Charm++> Running on Gemini (GNI) with 20 processes Charm++> static SMSG Charm++> SMSG memory: 98.8KB Charm++> memory pool init block size: 8MB, total memory pool limit 0MB (0 means no limit) Charm++> memory pool registered memory limit: 200000MB, send limit: 100000MB Charm++> only comm thread send/recv messages Charm++> Cray TLB page size: 8192K Charm++> Running in SMP mode: numNodes 20, 7 worker threads per process Charm++> The comm. thread both sends and receives messages Charm++> Using recursive bisection (scheme 3) for topology aware partitions Converse/Charm++ Commit ID: v6.7.1-rc1-0-gbdf6a1b-namd-charm-6.7.1-build-2016-Apr-16-49226 CharmLB> Load balancer assumes all CPUs are same. Charm++> cpu affinity enabled. Charm++> cpuaffinity PE-core map : 2-14:2 Charm++> set comm 0 on node 0 to core #0 Charm++> Running on 20 unique compute nodes (16-way SMP). Info: Built with CUDA version 7050 Did not find +devices i,j,k,... argument, using all Pe 2 physical rank 2 will use CUDA device of pe 4 Pe 9 physical rank 2 will use CUDA device of pe 7 Pe 8 physical rank 1 will use CUDA device of pe 7 Pe 13 physical rank 6 will use CUDA device of pe 7 Pe 11 physical rank 4 will use CUDA device of pe 7 Pe 12 physical rank 5 will use CUDA device of pe 7 Pe 10 physical rank 3 will use CUDA device of pe 7 Pe 7 physical rank 0 binding to CUDA device 0 on physical node 1: 'Tesla K20X' Mem: 5759MB Rev: 3.5 Pe 0 physical rank 0 will use CUDA device of pe 4 Pe 3 physical rank 3 will use CUDA device of pe 4 Pe 1 physical rank 1 will use CUDA device of pe 4 Pe 6 physical rank 6 will use CUDA device of pe 4 Pe 5 physical rank 5 will use CUDA device of pe 4 Pe 4 physical rank 4 binding to CUDA device 0 on physical node 0: 'Tesla K20X' Mem: 5759MB Rev: 3.5 Info: NAMD 2.11 for CRAY-XE-ugni-smp-BlueWaters-CUDA Info: Info: Please visit http://www.ks.uiuc.edu/Research/namd/ Info: for updates, documentation, and support information. Info: Info: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005) Info: in all publications reporting results obtained with NAMD. Info: Info: Based on Charm++/Converse 60701 for gemini_gni-crayxe-persistent-smp Info: Built Tue Sep 13 16:23:43 CDT 2016 by jphillip on h2ologin1 Info: Running on 140 processors, 20 nodes, 20 physical nodes. Info: CPU topology information available. Info: Charm++/Converse parallel runtime startup completed at 0.0311711 s CkLoopLib is used in SMP with a simple dynamic scheduling (converse-level notification) but not using node-level queue Info: 38.6484 MB of memory in use based on /proc/self/stat Info: Configuration file is MD.4.conf Info: Working in the current directory /mnt/c/scratch/sciteam/trudack/md/qwikMD/1qhj_water_new/run TCL: Suspending until startup complete. Warning: The following variables were set in the Warning: configuration file but will be ignored: Warning: consexp (constraints) Warning: consref (constraints) Warning: conskfile (constraints) Warning: conskcol (constraints) Warning: constraintScaling (constraints) Warning: ionConcentration (GBIS) Warning: alphaCutoff (GBIS) Info: EXTENDED SYSTEM FILE MD.3.restart.xsc Info: SIMULATION PARAMETERS: Info: TIMESTEP 2 Info: NUMBER OF STEPS 0 Info: STEPS PER CYCLE 20 Info: PERIODIC CELL BASIS 1 68.7364 0 0 Info: PERIODIC CELL BASIS 2 0 80.8991 0 Info: PERIODIC CELL BASIS 3 0 0 100.552 Info: PERIODIC CELL CENTER -0.83533 -0.207739 0.708041 Info: WRAPPING WATERS AROUND PERIODIC BOUNDARIES ON OUTPUT. Info: WRAPPING ALL CLUSTERS AROUND PERIODIC BOUNDARIES ON OUTPUT. Info: LOAD BALANCER Centralized Info: LOAD BALANCING STRATEGY New Load Balancers -- DEFAULT Info: LDB PERIOD 4000 steps Info: FIRST LDB TIMESTEP 100 Info: LAST LDB TIMESTEP -1 Info: LDB BACKGROUND SCALING 1 Info: HOM BACKGROUND SCALING 1 Info: PME BACKGROUND SCALING 1 Info: REMOVING LOAD FROM NODE 0 Info: REMOVING PATCHES FROM PROCESSOR 0 Info: MIN ATOMS PER PATCH 40 Info: VELOCITY FILE MD.3.restart.vel Info: CENTER OF MASS MOVING INITIALLY? NO Info: DIELECTRIC 1 Info: EXCLUDE SCALED ONE-FOUR Info: 1-4 ELECTROSTATICS SCALED BY 1 Info: MODIFIED 1-4 VDW PARAMETERS WILL BE USED Info: DCD FILENAME MD.4.dcd Info: DCD FREQUENCY 100000 Info: DCD FIRST STEP 100000 Info: DCD FILE WILL CONTAIN UNIT CELL DATA Info: XST FILENAME MD.4.xst Info: XST FREQUENCY 100000 Info: NO VELOCITY DCD OUTPUT Info: NO FORCE DCD OUTPUT Info: OUTPUT FILENAME MD.4 Info: RESTART FILENAME MD.4.restart Info: RESTART FREQUENCY 100000 Info: BINARY RESTART FILES WILL BE USED Info: SWITCHING ACTIVE Info: SWITCHING ON 10 Info: SWITCHING OFF 12 Info: PAIRLIST DISTANCE 14 Info: PAIRLIST SHRINK RATE 0.01 Info: PAIRLIST GROW RATE 0.01 Info: PAIRLIST TRIGGER 0.3 Info: PAIRLISTS PER CYCLE 2 Info: PAIRLISTS ENABLED Info: MARGIN 0.495 Info: HYDROGEN GROUP CUTOFF 2.5 Info: PATCH DIMENSION 16.995 Info: ENERGY OUTPUT STEPS 200 Info: CROSSTERM ENERGY INCLUDED IN DIHEDRAL Info: TIMING OUTPUT STEPS 200 Info: PRESSURE OUTPUT STEPS 200 Info: LANGEVIN DYNAMICS ACTIVE Info: LANGEVIN TEMPERATURE 300 Info: LANGEVIN USING BBK INTEGRATOR Info: LANGEVIN DAMPING COEFFICIENT IS 1 INVERSE PS Info: LANGEVIN DYNAMICS NOT APPLIED TO HYDROGENS Info: LANGEVIN PISTON PRESSURE CONTROL ACTIVE Info: TARGET PRESSURE IS 1.01325 BAR Info: OSCILLATION PERIOD IS 200 FS Info: DECAY TIME IS 100 FS Info: PISTON TEMPERATURE IS 300 K Info: PRESSURE CONTROL IS GROUP-BASED Info: INITIAL STRAIN RATE IS -2.1516e-05 -2.1516e-05 -2.1516e-05 Info: CELL FLUCTUATION IS ISOTROPIC Info: PARTICLE MESH EWALD (PME) ACTIVE Info: PME TOLERANCE 1e-06 Info: PME EWALD COEFFICIENT 0.257952 Info: PME INTERPOLATION ORDER 4 Info: PME GRID DIMENSIONS 72 84 108 Info: PME MAXIMUM GRID SPACING 1 Info: Attempting to read FFTW data from system Info: Attempting to read FFTW data from FFTW_NAMD_2.11_CRAY-XE-ugni-smp-BlueWaters-CUDA_FFTW3.txt Info: Optimizing 6 FFT steps. 1... 2... 3... 4... 5... 6... Done. Info: Writing FFTW data to FFTW_NAMD_2.11_CRAY-XE-ugni-smp-BlueWaters-CUDA_FFTW3.txt Info: FULL ELECTROSTATIC EVALUATION FREQUENCY 2 Info: USING VERLET I (r-RESPA) MTS SCHEME. Info: C1 SPLITTING OF LONG RANGE ELECTROSTATICS Info: PLACING ATOMS IN PATCHES BY HYDROGEN GROUPS Info: RIGID BONDS TO HYDROGEN : ALL Info: ERROR TOLERANCE : 1e-08 Info: MAX ITERATIONS : 100 Info: RIGID WATER USING SETTLE ALGORITHM Info: RANDOM NUMBER SEED 1474655755 Info: USE HYDROGEN BONDS? NO Info: COORDINATE PDB 1qhj_water_QwikMD.pdb Info: STRUCTURE FILE 1qhj_water_QwikMD.psf Info: PARAMETER file: CHARMM format! Info: PARAMETERS Retinal_schiff_based_qwikmd.str Info: PARAMETERS toppar_water_ions_namd.str Info: PARAMETERS toppar_all36_carb_glycopeptide.str Info: PARAMETERS par_all36_lipid.prm Info: PARAMETERS par_all36_na.prm Info: PARAMETERS par_all36_prot.prm Info: PARAMETERS par_all36_carb.prm Info: PARAMETERS par_all36_cgenff.prm Info: USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS Info: BINARY COORDINATES MD.3.restart.coor Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SUMMARY OF PARAMETERS: Info: 942 BONDS Info: 2731 ANGLES Info: 6593 DIHEDRAL Info: 211 IMPROPER Info: 6 CROSSTERM Info: 357 VDW Info: 6 VDW_PAIRS Info: 0 NBTHOLE_PAIRS Warning: VDW TYPE NAME CR15 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR14 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR13 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR12 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR11 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR10 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR9 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR8 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR7 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR6 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR5 MATCHES PARAMETER TYPE NAME CR* Info: TIME FOR READING PSF FILE: 1.38232 Info: Reading pdb file 1qhj_water_QwikMD.pdb Info: TIME FOR READING PDB FILE: 0.230747 Info: Info: **************************** Info: STRUCTURE SUMMARY: Info: 56678 ATOMS Info: 38979 BONDS Info: 24331 ANGLES Info: 9759 DIHEDRALS Info: 523 IMPROPERS Info: 225 CROSSTERMS Info: 0 EXCLUSIONS Info: 54791 RIGID BONDS Info: 115243 DEGREES OF FREEDOM Info: 19534 HYDROGEN GROUPS Info: 4 ATOMS IN LARGEST HYDROGEN GROUP Info: 19534 MIGRATION GROUPS Info: 4 ATOMS IN LARGEST MIGRATION GROUP Info: TOTAL MASS = 346105 amu Info: TOTAL CHARGE = 2.03773e-06 e Info: MASS DENSITY = 1.02789 g/cm^3 Info: ATOM DENSITY = 0.101367 atoms/A^3 Info: ***************************** Info: Reading from binary file MD.3.restart.coor Info: Info: Entering startup at 2.54306 s, 144.422 MB of memory in use Info: Startup phase 0 took 0.000351996 s, 144.449 MB of memory in use Info: ADDED 72885 IMPLICIT EXCLUSIONS Info: Startup phase 1 took 0.0928594 s, 154.922 MB of memory in use Info: NONBONDED TABLE R-SQUARED SPACING: 0.0625 Info: NONBONDED TABLE SIZE: 769 POINTS Info: INCONSISTENCY IN FAST TABLE ENERGY VS FORCE: 0.000325096 AT 11.9556 Info: INCONSISTENCY IN SCOR TABLE ENERGY VS FORCE: 0.000324844 AT 11.9556 Info: INCONSISTENCY IN VDWA TABLE ENERGY VS FORCE: 0.0040507 AT 0.251946 Info: INCONSISTENCY IN VDWB TABLE ENERGY VS FORCE: 0.00150189 AT 0.251946 Info: Updated CUDA LJ table with 357 x 357 elements. Info: Updated CUDA force table with 4096 elements. Info: Startup phase 2 took 0.0100784 s, 159.488 MB of memory in use Info: Startup phase 3 took 0.000233161 s, 159.652 MB of memory in use Info: Startup phase 4 took 0.00157561 s, 162.387 MB of memory in use Info: Startup phase 5 took 0.000214428 s, 162.598 MB of memory in use Info: REDUCING NUMBER OF PATCHES TO IMPROVE LOAD BALANCE Info: PATCH GRID IS 7 (PERIODIC) BY 4 (PERIODIC) BY 5 (PERIODIC) Info: PATCH GRID IS 2-AWAY BY 1-AWAY BY 1-AWAY Info: Reading from binary file MD.3.restart.vel Info: REMOVING COM VELOCITY -0.0333631 -0.0308422 -0.0272122 Info: LARGEST PATCH (42) HAS 449 ATOMS Info: TORUS A SIZE 24 USING 19 Info: TORUS B SIZE 24 USING 2 3 Info: TORUS C SIZE 24 USING 17 18 20 21 22 Info: TORUS MINIMAL MESH SIZE IS 1 BY 2 BY 6 Info: Placed 100% of base nodes on same physical node as patch Info: Startup phase 6 took 0.0621647 s, 173.789 MB of memory in use Info: PME using 36 and 42 processors for FFT and reciprocal sum. Info: PME GRID LOCATIONS: 3 10 12 17 19 24 26 31 38 40 ... Info: PME TRANS LOCATIONS: 1 5 8 13 15 20 22 27 29 33 ... Info: PME USING 20 GRID NODES AND 20 TRANS NODES Info: Startup phase 7 took 0.541356 s, 174.676 MB of memory in use Info: Startup phase 8 took 0.00282186 s, 173.281 MB of memory in use LDB: Central LB being created... Info: Startup phase 9 took 0.00231281 s, 173.523 MB of memory in use Info: CREATING 5174 COMPUTE OBJECTS CUDA device 0 stream priority range 0 -1 Info: Found 309 unique exclusion lists needing 1048 bytes Pe 3 hosts 0 local and 6 remote patches for pe 4 Pe 2 hosts 0 local and 4 remote patches for pe 4 Pe 4 hosts 0 local and 7 remote patches for pe 4 Pe 5 hosts 0 local and 7 remote patches for pe 4 Pe 1 hosts 0 local and 6 remote patches for pe 4 Pe 0 hosts 0 local and 4 remote patches for pe 4 Pe 6 hosts 0 local and 6 remote patches for pe 4 Pe 11 hosts 0 local and 6 remote patches for pe 7 Pe 12 hosts 0 local and 6 remote patches for pe 7 Pe 13 hosts 0 local and 6 remote patches for pe 7 Pe 9 hosts 0 local and 6 remote patches for pe 7 Pe 8 hosts 0 local and 5 remote patches for pe 7 Pe 10 hosts 0 local and 4 remote patches for pe 7 Pe 7 hosts 0 local and 6 remote patches for pe 7 Info: Startup phase 10 took 0.0318002 s, 177.316 MB of memory in use Info: Building spanning tree ... send: 1 recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 Info: Startup phase 11 took 0.000395513 s, 177.445 MB of memory in use Info: Startup phase 12 took 9.2222e-05 s, 177.445 MB of memory in use Info: Finished startup at 3.28931 s, 177.445 MB of memory in use TCL: Running for 5000000 steps Pe 4 has 0 local and 40 remote patches and 0 local and 138 remote computes. Pe 7 has 0 local and 39 remote patches and 0 local and 161 remote computes. PRESSURE: 0 21.8238 40.5986 110.728 40.5994 8.35121 35.8237 110.728 35.8243 -171.288 GPRESSURE: 0 44.3425 36.235 117.541 86.5575 33.972 138.161 73.8782 3.52379 -122.148 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 0 749.6288 2064.9086 1926.6710 123.0145 -206223.0034 17872.0686 0.0000 0.0000 34017.0664 -149469.6455 297.0795 -183486.7120 -149373.0691 297.0795 -47.0377 -14.6113 559138.5135 -47.0377 -14.6113 OPENING EXTENDED SYSTEM TRAJECTORY FILE LDB: ============= START OF LOAD BALANCING ============== 3.37896 LDB: ============== END OF LOAD BALANCING =============== 3.37915 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.38066 LDB: ============= START OF LOAD BALANCING ============== 3.66405 LDB: Largest compute 4773 load 0.021945 is 23.6% of average load 0.093019 LDB: Average compute 0.001420 is 1.5% of average load 0.093019 LDB: Partitioning computes with target load 0.009302 LDB: Increased migratable compute count from 840 to 840 LDB: Largest unpartitionable compute is 0.021945 LDB: ============== END OF LOAD BALANCING =============== 3.6676 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.67163 Info: Initial time: 140 CPUs 0.00358934 s/step 0.0207717 days/ns 192.434 MB memory LDB: ============= START OF LOAD BALANCING ============== 3.73161 LDB: ============== END OF LOAD BALANCING =============== 3.73177 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.73318 LDB: ============= START OF LOAD BALANCING ============== 3.97621 LDB: Largest compute 4773 load 0.021946 is 23.1% of average load 0.094980 LDB: Average compute 0.001388 is 1.5% of average load 0.094980 LDB: TIME 3.97852 LOAD: AVG 0.0949798 MAX 0.190229 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 192.734 MB LDB: TIME 3.97968 LOAD: AVG 0.0949798 MAX 0.167657 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 TorusLB MEM: 192.82 MB LDB: ============== END OF LOAD BALANCING =============== 3.98281 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.98717 PRESSURE: 200 143.812 170.912 22.6163 170.913 94.3391 59.2898 22.6156 59.2893 13.5929 GPRESSURE: 200 232.542 164.951 -60.2368 72.505 73.634 26.0611 38.8983 -44.1241 49.1205 PRESSAVG: 200 70.4571 26.9478 -0.674415 26.9479 -9.80145 8.13057 -0.674363 8.13073 -24.6292 GPRESSAVG: 200 69.4301 26.096 0.0161008 23.4427 -8.18804 8.07418 -1.18542 9.68648 -26.1829 Info: Initial time: 140 CPUs 0.00302469 s/step 0.017504 days/ns 193.156 MB memory TIMING: 200 CPU: 0.737296, 0.00341785/step Wall: 0.737295, 0.00341785/step, 4.74682 hours remaining, 193.156250 MB of memory in use. ENERGY: 200 754.5192 2089.5036 1920.9531 118.0273 -206566.6841 17989.8822 0.0000 0.0000 34297.9253 -149395.8734 299.5323 -183693.7987 -149303.1338 299.1351 83.9148 118.4323 558599.2088 12.0088 11.6864 LDB: ============= START OF LOAD BALANCING ============== 4.28899 LDB: Largest compute 4773 load 0.027317 is 22.7% of average load 0.120227 LDB: Average compute 0.001740 is 1.4% of average load 0.120227 LDB: TIME 4.29139 LOAD: AVG 0.120227 MAX 0.209378 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 193.348 MB LDB: TIME 4.29168 LOAD: AVG 0.120227 MAX 0.209378 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 193.453 MB LDB: TIME 4.29179 LOAD: AVG 0.120227 MAX 0.209378 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 193.457 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4.29372 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4.29808 Info: Initial time: 140 CPUs 0.00301756 s/step 0.0174627 days/ns 193.789 MB memory LDB: ============= START OF LOAD BALANCING ============== 4.59976 LDB: Largest compute 4796 load 0.027580 is 22.9% of average load 0.120582 LDB: Average compute 0.001732 is 1.4% of average load 0.120582 LDB: TIME 4.60203 LOAD: AVG 0.120582 MAX 0.210191 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 194.047 MB LDB: TIME 4.60231 LOAD: AVG 0.120582 MAX 0.210191 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 194.047 MB LDB: TIME 4.60241 LOAD: AVG 0.120582 MAX 0.210191 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 194.047 MB LDB: ============== END OF LOAD BALANCING =============== 4.60432 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4.60836 PRESSURE: 400 -54.721 -115.964 77.607 -115.964 364.191 -161.41 77.6058 -161.41 211.691 GPRESSURE: 400 0.650344 -48.3008 76.7008 -125.25 373.273 -96.0422 112.517 -48.1273 253.118 PRESSAVG: 400 3.11857 28.0229 -14.3416 28.0229 14.4121 -35.3742 -14.3417 -35.3741 -36.6865 GPRESSAVG: 400 2.89984 28.1939 -15.83 29.0708 13.5454 -33.4716 -11.8745 -36.379 -35.5057 Info: Benchmark time: 140 CPUs 0.00301425 s/step 0.0174436 days/ns 196.395 MB memory TIMING: 400 CPU: 1.35843, 0.00310565/step Wall: 1.35843, 0.00310565/step, 4.31306 hours remaining, 196.597656 MB of memory in use. ENERGY: 400 709.4275 2031.0428 1928.4574 108.7954 -206452.6749 18085.4523 0.0000 0.0000 34485.9967 -149103.5029 301.1748 -183589.4996 -149011.0667 298.8336 173.7203 209.0139 558316.7681 -6.3852 -6.3535 Info: Benchmark time: 140 CPUs 0.00298601 s/step 0.0172802 days/ns 196.598 MB memory PRESSURE: 600 -0.214752 81.7193 -12.7465 81.7199 -151.442 -155.619 -12.7461 -155.621 -158.53 GPRESSURE: 600 14.8412 118.605 79.466 100.622 -93.7616 -159.581 -33.3765 -157.147 -122.802 PRESSAVG: 600 42.7744 25.8698 31.1217 25.8697 -61.096 -79.7825 31.1217 -79.7824 14.3238 GPRESSAVG: 600 44.0529 25.3349 31.4012 26.1128 -61.219 -80.5322 30.9716 -80.5491 13.0169 Info: Benchmark time: 140 CPUs 0.00298289 s/step 0.0172621 days/ns 196.598 MB memory TIMING: 600 CPU: 1.95552, 0.00298546/step Wall: 1.95552, 0.00298546/step, 4.14598 hours remaining, 196.597656 MB of memory in use. ENERGY: 600 735.8682 2103.3019 1920.9160 120.9991 -205890.0791 17775.9710 0.0000 0.0000 34158.4783 -149074.5446 298.3145 -183233.0229 -148976.4670 299.3332 -103.3957 -67.2409 558935.9422 -1.3326 -1.3831 Info: Benchmark time: 140 CPUs 0.00298638 s/step 0.0172823 days/ns 196.598 MB memory PRESSURE: 800 150.875 13.4783 38.982 13.4791 73.622 -49.0598 38.9818 -49.0593 -32.6962 GPRESSURE: 800 160.71 21.9868 114.64 -85.595 136.399 -70.7937 27.2853 30.2461 -14.1001 PRESSAVG: 800 81.497 -41.1853 -11.2374 -41.1854 20.841 -10.3276 -11.2373 -10.3276 -80.9491 GPRESSAVG: 800 80.9193 -40.9678 -11.4752 -40.3394 20.8998 -10.6429 -14.6697 -11.2397 -79.9615 Info: Benchmark time: 140 CPUs 0.00301746 s/step 0.0174622 days/ns 196.707 MB memory TIMING: 800 CPU: 2.5561, 0.00300293/step Wall: 2.5561, 0.00300293/step, 4.17007 hours remaining, 196.707031 MB of memory in use. ENERGY: 800 758.5125 2038.1498 1951.5882 117.0900 -206505.4642 18086.5169 0.0000 0.0000 34432.1404 -149121.4665 300.7044 -183553.6069 -149021.2638 299.6039 63.9335 94.3361 558959.6567 7.1297 7.2858 Info: Benchmark time: 140 CPUs 0.00300573 s/step 0.0173943 days/ns 196.707 MB memory PRESSURE: 1000 161.822 21.4602 -27.5103 21.4598 -120.207 111.747 -27.5098 111.747 273.311 GPRESSURE: 1000 172.927 -45.5965 -25.6084 -94.4251 4.68768 36.9175 -4.26063 106.42 255.426 PRESSAVG: 1000 -14.0057 -59.5979 -8.3621 -59.5979 -13.1916 12.5417 -8.36209 12.5417 -2.4695 GPRESSAVG: 1000 -13.9486 -58.9876 -11.0685 -60.2728 -13.3556 10.7864 -4.01498 14.2622 -1.97208 TIMING: 1000 CPU: 3.15537, 0.00299634/step Wall: 3.15537, 0.00299634/step, 4.16074 hours remaining, 196.710938 MB of memory in use. ENERGY: 1000 760.3166 2085.1271 1922.6563 114.3155 -206239.9060 18114.6591 0.0000 0.0000 34199.6871 -149043.1441 298.6744 -183242.8312 -148950.3349 299.6825 104.9753 144.3469 557720.6524 -9.8889 -9.7588 PRESSURE: 1200 14.0946 -4.54681 29.3058 -4.54562 -104.422 53.1031 29.3066 53.1036 -170.638 GPRESSURE: 1200 29.16 -22.0819 -10.4607 24.2568 -53.8837 107.889 51.87 60.4167 -135.956 PRESSAVG: 1200 25.3986 -82.471 5.16438 -82.4712 -7.19764 1.11487 5.16439 1.11484 -25.1783 GPRESSAVG: 1200 25.6746 -82.9092 7.14643 -81.4856 -7.31901 3.32175 3.4084 0.757043 -25.4678 TIMING: 1200 CPU: 3.74758, 0.00296105/step Wall: 3.74758, 0.00296105/step, 4.11158 hours remaining, 196.710938 MB of memory in use. ENERGY: 1200 762.8437 2066.1294 1960.0491 104.7154 -206038.5522 17783.7725 0.0000 0.0000 34297.0446 -149063.9976 299.5246 -183361.0421 -148963.6813 299.7025 -86.9887 -53.5599 558435.5472 -2.3258 -2.3707 PRESSURE: 1400 -244.811 -77.38 -82.0938 -77.3789 -255.429 -60.4053 -82.0926 -60.4064 -327.179 GPRESSURE: 1400 -211.579 -140.788 -7.57382 -94.7283 -228.68 -77.8038 -159.469 -110.888 -289.752 PRESSAVG: 1400 11.2336 -43.2083 11.4922 -43.2084 32.0238 -0.394761 11.4922 -0.394825 -44.4452 GPRESSAVG: 1400 11.4851 -42.0866 13.3088 -45.7001 33.3372 1.06718 12.2028 -1.62456 -45.4852 TIMING: 1400 CPU: 4.33938, 0.00295901/step Wall: 4.33938, 0.00295901/step, 4.10859 hours remaining, 196.710938 MB of memory in use. ENERGY: 1400 735.9462 2123.0500 1957.8851 112.3334 -205885.5327 17469.7756 0.0000 0.0000 34303.8979 -149182.6444 299.5845 -183486.5423 -149094.4041 300.0301 -275.8063 -243.3371 558673.2743 -0.3959 -0.2210 PRESSURE: 1600 -221.482 -18.1638 -187.913 -18.1635 -173.839 76.6502 -187.913 76.6499 -284.262 GPRESSURE: 1600 -141.458 -37.9873 -152.392 -78.1815 -132.991 36.2876 -220.684 41.1552 -298.232 PRESSAVG: 1600 -26.9496 -6.51766 -43.14 -6.51757 29.4491 -19.3731 -43.1401 -19.373 14.2803 GPRESSAVG: 1600 -26.8039 -5.99826 -42.1755 -6.98674 29.4407 -21.5474 -44.237 -17.7891 14.0494 TIMING: 1600 CPU: 4.93081, 0.00295712/step Wall: 4.93081, 0.00295712/step, 4.1058 hours remaining, 196.710938 MB of memory in use. ENERGY: 1600 764.0415 2103.4124 1937.7942 120.7173 -205787.1151 17446.7477 0.0000 0.0000 34176.0685 -149238.3334 298.4681 -183414.4019 -149149.4696 299.6354 -226.5275 -190.8935 559249.5402 5.5932 5.5621 PRESSURE: 1800 -5.56684 -19.6607 26.9077 -19.6598 124.919 31.1689 26.907 31.1691 -180.159 GPRESSURE: 1800 41.901 -73.5851 79.5391 -20.4791 157.196 -19.421 -0.35042 51.0973 -166.701 PRESSAVG: 1800 -15.3574 -10.5589 -13.5958 -10.5589 2.02841 45.5653 -13.5958 45.5654 0.456551 GPRESSAVG: 1800 -15.6905 -13.7339 -14.497 -9.41054 0.861257 47.6623 -12.3399 45.7149 1.84758 TIMING: 1800 CPU: 5.52009, 0.0029464/step Wall: 5.52009, 0.0029464/step, 4.09075 hours remaining, 196.710938 MB of memory in use. ENERGY: 1800 742.0138 2082.4356 1947.0827 117.9562 -206240.9466 17859.7549 0.0000 0.0000 34386.8241 -149104.8794 300.3087 -183491.7034 -148999.8147 299.0896 -20.2688 10.7986 558611.3800 -4.2908 -4.3272 PRESSURE: 2000 56.8093 -17.2188 70.1188 -17.2178 63.3197 -18.019 70.1196 -18.0202 -119.138 GPRESSURE: 2000 128.129 12.0073 48.5631 17.3052 34.1529 -40.2613 171.148 -1.64158 -57.4802 PRESSAVG: 2000 55.5703 45.9197 39.814 45.9197 0.180833 -22.6701 39.8141 -22.67 -48.905 GPRESSAVG: 2000 54.5672 45.5324 37.9667 46.579 0.72331 -23.117 38.8625 -23.8047 -48.4907 TIMING: 2000 CPU: 6.11518, 0.00297548/step Wall: 6.11518, 0.00297548/step, 4.13096 hours remaining, 196.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2000 736.8639 2090.2245 1922.3227 123.0043 -206131.3198 17926.3293 0.0000 0.0000 34165.7494 -149166.8258 298.3780 -183332.5752 -149080.8208 299.4985 0.3303 34.9338 558991.6020 2.2821 2.2666 PRESSURE: 2200 274.304 -8.67696 81.4111 -8.67835 -96.289 -55.7748 81.4109 -55.7751 208.163 GPRESSURE: 2200 298.757 51.7071 40.1043 30.8787 -33.1197 -72.5268 141.223 45.1739 215.99 PRESSAVG: 2200 -4.5627 -11.5991 3.41341 -11.599 35.494 23.17 3.41338 23.1699 -44.7786 GPRESSAVG: 2200 -4.25571 -11.3458 5.15299 -11.0955 36.3674 22.122 3.09382 25.5307 -46.4062 TIMING: 2200 CPU: 6.70588, 0.00295349/step Wall: 6.70588, 0.00295349/step, 4.10026 hours remaining, 196.710938 MB of memory in use. ENERGY: 2200 749.9378 2163.0703 1917.3837 102.7096 -206495.7837 17977.1971 0.0000 0.0000 34490.2657 -149095.2195 301.2121 -183585.4852 -148998.3524 299.7406 128.7261 160.5422 557504.9837 -4.6158 -4.7648 PRESSURE: 2400 109.716 299.259 -104.148 299.258 141.952 -63.1613 -104.149 -63.1619 -84.6534 GPRESSURE: 2400 109.683 228.368 -118.781 316.44 195.656 14.5753 -113.025 -107.915 -43.035 PRESSAVG: 2400 -11.1279 44.1963 32.5626 44.1965 68.7302 48.543 32.5626 48.5429 -42.8711 GPRESSAVG: 2400 -10.3608 46.2563 30.4662 40.1836 68.3498 49.2799 32.975 46.7211 -42.8723 TIMING: 2400 CPU: 7.30127, 0.00297697/step Wall: 7.30127, 0.00297697/step, 4.1327 hours remaining, 196.710938 MB of memory in use. ENERGY: 2400 747.0267 2099.0762 1955.8456 119.7472 -206271.5427 17839.1881 0.0000 0.0000 34375.9816 -149134.6773 300.2140 -183510.6588 -149032.1145 299.6733 55.6717 87.4346 555509.5369 4.9104 5.0389 PRESSURE: 2600 10.6513 -68.9176 -61.0506 -68.9173 181.214 -27.8991 -61.0509 -27.9003 -252.926 GPRESSURE: 2600 103.925 16.6037 20.0155 -118.714 200.858 -81.7575 -28.6906 -80.101 -265.953 PRESSAVG: 2600 -4.3088 51.3902 26.8343 51.3901 73.642 -12.1693 26.8344 -12.1693 -92.5674 GPRESSAVG: 2600 -4.22178 50.8519 26.876 53.1934 72.2656 -12.5434 27.7407 -13.4434 -91.3679 TIMING: 2600 CPU: 7.89487, 0.00296799/step Wall: 7.89487, 0.00296799/step, 4.12006 hours remaining, 196.710938 MB of memory in use. ENERGY: 2600 729.3659 2058.7669 1928.8482 112.7148 -205870.1448 17523.1295 0.0000 0.0000 34279.6467 -149237.6728 299.3727 -183517.3195 -149140.5773 299.3725 -20.3538 12.9432 556862.9110 -7.7447 -7.7747 PRESSURE: 2800 -210.418 50.4258 -17.0201 50.4263 -61.6746 -55.5816 -17.0201 -55.5807 -189.168 GPRESSURE: 2800 -164.212 62.9628 30.7492 54.1367 -52.8101 9.99422 -120.99 -76.0259 -155.748 PRESSAVG: 2800 -15.21 -11.6887 6.8191 -11.6887 63.6314 29.2435 6.81909 29.2435 -71.8815 GPRESSAVG: 2800 -15.6041 -12.9807 7.24188 -10.4774 64.6946 28.5922 6.77946 31.6777 -72.7202 TIMING: 2800 CPU: 8.48686, 0.00295993/step Wall: 8.48686, 0.00295993/step, 4.10872 hours remaining, 196.859375 MB of memory in use. ENERGY: 2800 765.0136 2081.6628 1911.8736 99.8244 -205764.2939 17458.2852 0.0000 0.0000 34294.5395 -149153.0949 299.5027 -183447.6344 -149054.6819 298.9196 -153.7534 -124.2566 557895.1301 -7.8200 -7.8765 PRESSURE: 3000 -216.833 217.037 -4.71919 217.037 -44.5679 43.6026 -4.71825 43.6007 87.9838 GPRESSURE: 3000 -216.165 199.011 25.1932 146.276 17.8161 49.9485 22.3228 88.7151 117.408 PRESSAVG: 3000 -13.918 49.8936 6.52831 49.8935 27.2579 45.6865 6.5283 45.6865 -24.9965 GPRESSAVG: 3000 -14.0085 51.0159 9.33655 50.4376 27.1738 46.3192 5.3232 46.3499 -24.8687 TIMING: 3000 CPU: 9.08009, 0.00296617/step Wall: 9.08009, 0.00296617/step, 4.11721 hours remaining, 196.859375 MB of memory in use. ENERGY: 3000 748.6458 2094.9392 1939.2736 122.0840 -206033.5315 17774.3852 0.0000 0.0000 34017.4850 -149336.7187 297.0832 -183354.2036 -149246.9898 298.8008 -57.8059 -26.9804 557166.6630 -3.8855 -3.9011 PRESSURE: 3200 -240.575 87.3931 219.594 87.3913 241.292 46.5626 219.593 46.5619 131.132 GPRESSURE: 3200 -119.168 78.3994 307.498 81.1483 212.216 63.4005 142.145 68.2847 125.463 PRESSAVG: 3200 -80.4648 53.5792 32.9951 53.5793 59.1686 30.8522 32.9951 30.8522 23.8832 GPRESSAVG: 3200 -80.3599 53.5878 31.6518 54.6155 58.2594 31.6114 33.0309 29.1796 24.4844 TIMING: 3200 CPU: 9.67536, 0.00297631/step Wall: 9.67536, 0.00297631/step, 4.13112 hours remaining, 196.859375 MB of memory in use. ENERGY: 3200 724.8419 2077.5026 1929.1547 105.7674 -206173.5004 17649.8559 0.0000 0.0000 34312.1775 -149374.2003 299.6568 -183686.3778 -149277.1444 298.7393 43.9497 72.8368 554584.5663 0.8623 0.7947 PRESSURE: 3400 -96.084 -50.7839 94.6581 -50.784 103.327 11.6164 94.6585 11.6152 303.275 GPRESSURE: 3400 -21.3526 9.29311 142.118 -104.585 114.375 35.3331 77.9556 -8.55583 309.559 PRESSAVG: 3400 -70.102 41.6337 56.6496 41.6337 49.548 -36.4812 56.6495 -36.4812 52.0592 GPRESSAVG: 3400 -69.752 39.2623 56.5064 41.0976 49.6134 -36.8051 56.9777 -36.2415 51.7699 TIMING: 3400 CPU: 10.2695, 0.00297088/step Wall: 10.2695, 0.00297088/step, 4.12342 hours remaining, 196.859375 MB of memory in use. ENERGY: 3400 778.0177 2123.2565 1946.5752 118.6309 -206473.3142 17805.1222 0.0000 0.0000 34324.3066 -149377.4052 299.7627 -183701.7118 -149276.4686 299.5169 103.5059 134.1938 554554.5008 10.5017 10.5438 PRESSURE: 3600 -128.22 50.2775 -156.381 50.2781 -149.765 173.858 -156.382 173.859 111.926 GPRESSURE: 3600 -102.328 51.8434 -90.2276 99.1206 -106.67 251.819 -188.583 106.785 135.731 PRESSAVG: 3600 -89.6482 24.0344 -9.12823 24.0344 78.3753 35.2482 -9.12823 35.2482 0.953021 GPRESSAVG: 3600 -90.4091 26.6355 -8.03259 23.8192 79.1576 33.7602 -10.5696 35.6272 1.08417 TIMING: 3600 CPU: 10.8722, 0.00301354/step Wall: 10.8722, 0.00301354/step, 4.18245 hours remaining, 196.859375 MB of memory in use. ENERGY: 3600 730.8504 2041.0347 1949.4639 124.9613 -206158.9421 17610.7914 0.0000 0.0000 34248.8241 -149453.0163 299.1035 -183701.8404 -149350.9417 299.0532 -55.3529 -24.4225 557045.2759 -3.4399 -3.3891 PRESSURE: 3800 88.5734 -22.3917 74.6602 -22.3922 91.2134 -167.73 74.6611 -167.729 169.128 GPRESSURE: 3800 115.131 -3.84161 74.6044 35.9997 95.996 -79.2493 21.0558 -204.002 219.599 PRESSAVG: 3800 -36.3962 29.6627 34.4362 29.6628 49.4181 -24.272 34.4362 -24.272 -8.60362 GPRESSAVG: 3800 -36.4726 28.2109 34.2129 30.0771 49.0638 -22.6992 34.6241 -25.2444 -8.30594 TIMING: 3800 CPU: 11.4741, 0.00300943/step Wall: 11.4741, 0.00300943/step, 4.17659 hours remaining, 196.859375 MB of memory in use. ENERGY: 3800 757.0285 2066.1728 1934.8696 106.5050 -206587.1633 17963.7601 0.0000 0.0000 34411.7489 -149347.0784 300.5264 -183758.8273 -149253.6043 298.6755 116.3049 143.5752 556645.2952 1.4728 1.4284 PRESSURE: 4000 317.784 -98.7717 -29.7597 -98.7718 497.85 -77.5652 -29.7602 -77.5669 202.641 GPRESSURE: 4000 346.392 -95.3849 -37.0496 -80.1064 574.944 -143.404 -69.7581 -50.1808 201.762 PRESSAVG: 4000 -23.7574 -0.549812 -20.5687 -0.549748 41.6652 -26.0182 -20.5687 -26.0183 -37.4285 GPRESSAVG: 4000 -23.0031 -0.256751 -20.651 -1.00189 41.04 -28.8496 -21.8139 -23.6584 -37.0193 TIMING: 4000 CPU: 12.066, 0.0029595/step Wall: 12.066, 0.0029595/step, 4.10713 hours remaining, 196.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4000 764.6366 2105.5124 1928.2942 118.3837 -207183.3287 18546.1006 0.0000 0.0000 34359.4177 -149360.9835 300.0693 -183720.4012 -149269.3307 299.4686 339.4253 374.3662 556894.8307 -6.5069 -6.3275 PRESSURE: 4200 -57.888 -130.278 -20.2782 -130.278 -272.205 48.876 -20.2787 48.8768 -69.7051 GPRESSURE: 4200 5.55033 -86.2682 -14.0728 -75.9026 -247.399 55.7654 -37.0313 29.007 -75.6448 PRESSAVG: 4200 32.5012 -14.1025 -6.92327 -14.1025 11.881 -33.6115 -6.92325 -33.6115 -25.7373 GPRESSAVG: 4200 32.0935 -13.5808 -6.75951 -14.1747 12.1766 -32.5889 -4.87971 -35.4614 -25.6261 TIMING: 4200 CPU: 12.655, 0.00294503/step Wall: 12.655, 0.00294503/step, 4.08688 hours remaining, 196.859375 MB of memory in use. ENERGY: 4200 765.1248 2129.6993 1968.9667 115.6527 -206126.8412 17825.5274 0.0000 0.0000 34098.3221 -149223.5482 297.7891 -183321.8703 -149126.6611 299.5017 -133.2661 -105.8311 559764.2025 6.2150 6.2147 LDB: ============= START OF LOAD BALANCING ============== 16.2017 LDB: ============== END OF LOAD BALANCING =============== 16.2018 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16.2035 LDB: ============= START OF LOAD BALANCING ============== 16.5006 LDB: Largest compute 4773 load 0.027174 is 23.1% of average load 0.117467 LDB: Average compute 0.001727 is 1.5% of average load 0.117467 LDB: TIME 16.5029 LOAD: AVG 0.117467 MAX 0.205692 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 195.18 MB LDB: TIME 16.5032 LOAD: AVG 0.117467 MAX 0.205692 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 195.383 MB LDB: TIME 16.5033 LOAD: AVG 0.117467 MAX 0.205692 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 195.383 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 16.5052 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16.5095 PRESSURE: 4400 -168.59 -11.0479 188.904 -11.0471 -191.154 -30.95 188.905 -30.9484 32.1488 GPRESSURE: 4400 -134.991 -54.3316 231.285 -40.4769 -156.77 -118.116 195.051 -61.2367 59.9945 PRESSAVG: 4400 -69.7403 -72.291 -16.5569 -72.2909 10.9732 7.59317 -16.5569 7.59305 27.9737 GPRESSAVG: 4400 -69.1867 -73.2946 -15.2859 -70.6989 12.4583 6.66987 -18.0042 9.01764 26.3655 TIMING: 4400 CPU: 13.2593, 0.00302114/step Wall: 13.2593, 0.00302114/step, 4.19234 hours remaining, 195.250000 MB of memory in use. ENERGY: 4400 774.1148 2101.8835 1943.4602 108.7065 -206295.9580 17883.7228 0.0000 0.0000 34290.6834 -149193.3868 299.4691 -183484.0702 -149096.6992 299.7084 -109.1984 -77.2556 559023.2336 -10.2645 -10.1210 PRESSURE: 4600 -24.1144 176.902 50.6925 176.902 -19.1972 -69.7055 50.692 -69.7057 -9.3949 GPRESSURE: 4600 59.0014 237.53 36.5301 208.324 -6.40607 -57.7901 22.9029 -74.8814 -8.17444 PRESSAVG: 4600 -34.722 4.91728 0.961405 4.91725 46.4783 19.5073 0.961422 19.5072 -3.20872 GPRESSAVG: 4600 -33.9152 6.03624 2.15396 3.01159 45.9811 20.0332 1.82965 20.1914 -3.56824 TIMING: 4600 CPU: 13.8493, 0.00295041/step Wall: 13.8493, 0.00295041/step, 4.09403 hours remaining, 195.488281 MB of memory in use. ENERGY: 4600 708.8852 2141.1273 1942.7475 103.0102 -206182.7384 17688.7392 0.0000 0.0000 34356.7575 -149241.4716 300.0461 -183598.2290 -149143.8511 299.2290 -17.5688 14.8070 556949.0534 2.8492 2.8326 PRESSURE: 4800 -44.2759 -7.82585 55.0482 -7.82727 -138.988 -4.86838 55.0462 -4.86716 -35.0815 GPRESSURE: 4800 -17.5393 -64.035 89.1758 51.8748 -86.137 -48.7701 115.079 -38.743 -11.9356 PRESSAVG: 4800 -87.5076 1.92988 24.7784 1.92988 -13.8455 -52.8214 24.7783 -52.8213 109.445 GPRESSAVG: 4800 -89.114 1.66338 20.0803 2.37615 -12.9883 -51.2283 26.6468 -54.7947 109.915 TIMING: 4800 CPU: 14.44, 0.00295334/step Wall: 14.44, 0.00295334/step, 4.09793 hours remaining, 195.488281 MB of memory in use. ENERGY: 4800 764.9695 2139.7675 1938.1395 112.8120 -206376.1276 17695.1829 0.0000 0.0000 34230.8226 -149494.4335 298.9463 -183725.2562 -149395.1755 298.7138 -72.7819 -38.5373 557179.6051 2.6972 2.6042 PRESSURE: 5000 31.3542 66.7363 -9.26111 66.7352 -6.20341 190.51 -9.26123 190.51 -47.3733 GPRESSURE: 5000 30.9261 121.758 42.5298 26.8715 20.7246 179.336 -51.6966 138.225 33.6142 PRESSAVG: 5000 11.7113 27.6739 -16.2008 27.6739 19.2263 64.2568 -16.2008 64.2567 7.66231 GPRESSAVG: 5000 11.1979 29.4376 -13.6209 27.0139 18.3003 63.4553 -17.4697 64.3071 8.91026 TIMING: 5000 CPU: 15.038, 0.00298973/step Wall: 15.038, 0.00298973/step, 4.14826 hours remaining, 195.488281 MB of memory in use. ENERGY: 5000 752.5944 2088.1397 1922.4524 120.7555 -206424.3841 17864.6673 0.0000 0.0000 34255.8415 -149419.9333 299.1648 -183675.7747 -149324.3533 299.2266 -7.4075 28.4216 555837.4930 12.8666 12.8028 PRESSURE: 5200 71.4718 -160.545 0.953116 -160.545 54.3019 47.4925 0.951981 47.4949 168.703 GPRESSURE: 5200 123.772 -102.944 104.445 -207.451 16.6746 80.7653 -60.3954 87.2647 242.929 PRESSAVG: 5200 -4.15925 -13.1905 16.9269 -13.1904 28.9902 -8.04552 16.927 -8.04557 -9.75005 GPRESSAVG: 5200 -2.43715 -13.0273 18.0363 -14.8661 28.1441 -9.05879 15.6573 -7.68743 -11.1025 TIMING: 5200 CPU: 15.6393, 0.00300646/step Wall: 15.6393, 0.00300646/step, 4.1713 hours remaining, 195.515625 MB of memory in use. ENERGY: 5200 746.7958 2071.9957 1936.4794 123.9471 -206307.0459 17754.1954 0.0000 0.0000 34192.2574 -149481.3751 298.6095 -183673.6325 -149386.9817 298.3784 98.1588 127.7919 554565.1143 5.0270 4.8681 PRESSURE: 5400 -309.08 14.6348 106.721 14.635 76.7793 -51.5069 106.721 -51.5065 -2.46088 GPRESSURE: 5400 -249.577 36.9621 156.164 -74.5751 100.228 -105.269 25.9226 -87.0808 1.01839 PRESSAVG: 5400 -12.4484 -23.7204 -1.02356 -23.7203 32.6118 8.54202 -1.02367 8.5419 1.41776 GPRESSAVG: 5400 -12.6548 -24.2933 -3.77607 -22.9571 32.9774 10.3201 0.475335 8.35456 1.46871 TIMING: 5400 CPU: 16.2354, 0.00298089/step Wall: 16.2354, 0.00298089/step, 4.13565 hours remaining, 195.515625 MB of memory in use. ENERGY: 5400 770.7220 2066.1783 1932.7063 109.3451 -206224.2411 17758.4288 0.0000 0.0000 34249.4354 -149337.4253 299.1088 -183586.8606 -149243.6512 299.1572 -78.2538 -49.4436 557536.4593 7.1937 7.2638 PRESSURE: 5600 -234.411 95.8214 88.658 95.8213 -242.038 -32.3789 88.6578 -32.3796 -157.21 GPRESSURE: 5600 -155.106 183.541 113.142 101.235 -176.474 -31.6861 124.072 -118.269 -194.657 PRESSAVG: 5600 -36.9425 18.5791 -43.0556 18.5791 23.5986 3.56542 -43.0557 3.56555 52.0742 GPRESSAVG: 5600 -37.8079 19.7666 -43.8929 16.5667 23.6204 2.91972 -42.485 2.71132 53.3534 TIMING: 5600 CPU: 16.8316, 0.00298106/step Wall: 16.8316, 0.00298106/step, 4.13572 hours remaining, 195.515625 MB of memory in use. ENERGY: 5600 773.7076 2107.6133 1922.5795 109.6341 -205847.4710 17648.8454 0.0000 0.0000 34165.8485 -149119.2427 298.3789 -183285.0912 -149022.9479 299.4124 -211.2196 -175.4124 558715.9273 12.9101 13.0553 PRESSURE: 5800 35.5056 -97.8246 32.5861 -97.8253 5.61334 266.078 32.5852 266.077 -100.631 GPRESSURE: 5800 86.9349 -66.7902 67.2729 -182.634 3.93728 244.117 -13.4188 203.593 -69.5806 PRESSAVG: 5800 24.2305 12.2924 2.37426 12.2926 52.7899 30.4365 2.3742 30.4366 -52.1168 GPRESSAVG: 5800 24.258 11.5796 4.66263 14.4491 52.7413 29.4098 -0.339702 31.8424 -52.2563 TIMING: 5800 CPU: 17.4294, 0.00298903/step Wall: 17.4294, 0.00298903/step, 4.14662 hours remaining, 195.515625 MB of memory in use. ENERGY: 5800 740.2095 2123.4255 1938.4514 107.8243 -206225.3790 17773.7946 0.0000 0.0000 34355.5219 -149186.1519 300.0353 -183541.6737 -149088.8521 299.8466 -19.8373 7.0972 557282.2657 8.3012 8.2477 PRESSURE: 6000 212.421 6.07415 -56.0399 6.07488 -480.963 48.885 -56.0402 48.885 -23.4444 GPRESSURE: 6000 210.109 48.1366 16.151 -15.6742 -378.484 158.9 -115.434 17.0624 -21.5028 PRESSAVG: 6000 -10.1066 36.417 21.4463 36.4169 -46.7952 59.4967 21.4462 59.4967 28.0278 GPRESSAVG: 6000 -9.84018 35.1583 21.478 36.565 -45.9906 60.8937 23.2036 58.3616 27.5579 TIMING: 6000 CPU: 18.0258, 0.00298176/step Wall: 18.0258, 0.00298176/step, 4.13636 hours remaining, 195.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 6000 765.0171 2120.2901 1935.9694 126.6015 -206411.0852 17938.5570 0.0000 0.0000 34142.0088 -149382.6413 298.1707 -183524.6501 -149290.8185 298.9986 -97.3287 -63.2925 558133.5071 -9.6246 -9.4243 PRESSURE: 6200 53.5982 -78.2332 63.3476 -78.2341 122.06 169.108 63.3469 169.108 -1.9535 GPRESSURE: 6200 107.843 -122.692 -51.8561 -60.4875 95.9145 131.227 148.335 185.498 64.9148 PRESSAVG: 6200 16.4392 2.27541 -29.8052 2.27528 -21.0458 22.5644 -29.8052 22.5644 -13.5004 GPRESSAVG: 6200 15.7577 2.22071 -31.6303 2.88364 -20.8044 19.334 -29.0794 23.8073 -13.0578 TIMING: 6200 CPU: 18.6269, 0.00300571/step Wall: 18.6269, 0.00300571/step, 4.16942 hours remaining, 195.515625 MB of memory in use. ENERGY: 6200 735.4299 2124.0049 1924.1891 99.3534 -206391.8804 17963.9647 0.0000 0.0000 34237.4192 -149307.5193 299.0039 -183544.9385 -149214.0336 298.6479 57.9017 89.5575 558104.5512 -6.0357 -6.0348 PRESSURE: 6400 -279.658 83.3072 143.807 83.3086 210.529 64.2275 143.807 64.229 -89.7932 GPRESSURE: 6400 -178.177 79.7729 93.6536 58.0943 219.924 47.9329 97.7868 31.311 -105.425 PRESSAVG: 6400 -34.892 21.504 -10.7979 21.504 -16.4362 25.4233 -10.7979 25.4234 27.1347 GPRESSAVG: 6400 -33.2473 20.6783 -9.02022 21.3256 -18.589 26.6537 -10.4085 25.4919 27.0287 TIMING: 6400 CPU: 19.2243, 0.00298674/step Wall: 19.2243, 0.00298674/step, 4.14295 hours remaining, 195.515625 MB of memory in use. ENERGY: 6400 735.2484 2118.9344 1923.2706 119.0874 -205998.9785 17665.1458 0.0000 0.0000 34086.1640 -149351.1279 297.6829 -183437.2920 -149260.7480 299.4552 -52.9739 -21.2259 558054.7105 -8.0645 -8.2692 PRESSURE: 6600 126.071 79.8254 -16.4669 79.826 8.30238 -128.372 -16.4673 -128.37 -48.5056 GPRESSURE: 6600 143.273 33.2189 -23.4663 133.214 69.0348 -100.292 33.2145 -139.374 -32.4716 PRESSAVG: 6600 -40.7294 -39.6206 -62.7438 -39.6206 23.4245 1.52308 -62.7438 1.52316 32.1488 GPRESSAVG: 6600 -42.4125 -37.1419 -62.5939 -40.909 24.8067 3.27333 -62.8856 0.159749 32.1779 TIMING: 6600 CPU: 19.8218, 0.00298755/step Wall: 19.8218, 0.00298755/step, 4.1439 hours remaining, 195.515625 MB of memory in use. ENERGY: 6600 799.5934 2090.2630 1918.6248 119.7636 -206529.2727 18048.8144 0.0000 0.0000 34243.8559 -149308.3577 299.0601 -183552.2136 -149212.4410 299.0729 28.6225 59.9453 558880.4835 4.9479 4.8574 PRESSURE: 6800 -149.825 -83.7082 -34.6241 -83.7103 -171.051 -118.305 -34.624 -118.305 -116.459 GPRESSURE: 6800 -163.003 -81.1189 -28.6488 -85.3158 -98.8966 -36.8537 -53.1596 -90.377 -87.1577 PRESSAVG: 6800 21.386 1.13415 -17.5823 1.13414 5.19465 -44.5414 -17.5824 -44.5414 -20.591 GPRESSAVG: 6800 23.1792 -0.239638 -19.3284 1.5757 4.62964 -44.3872 -18.4591 -46.1702 -21.2039 TIMING: 6800 CPU: 20.4151, 0.00296634/step Wall: 20.4151, 0.00296634/step, 4.11431 hours remaining, 195.515625 MB of memory in use. ENERGY: 6800 737.9734 2099.8637 1945.3254 107.3099 -206145.3844 17821.8225 0.0000 0.0000 34061.8935 -149371.1959 297.4710 -183433.0895 -149269.0881 299.0090 -145.7783 -116.3525 559176.7741 1.9965 2.2016 PRESSURE: 7000 -264.157 -141.431 -22.8325 -141.43 90.87 -104.94 -22.8327 -104.94 321.496 GPRESSURE: 7000 -231.158 -111.008 -89.4927 -33.2056 86.9468 -75.6494 -12.9751 -137.224 388.68 PRESSAVG: 7000 -40.1485 -15.4943 -15.4578 -15.4944 -1.65504 -51.3597 -15.4578 -51.3598 15.3177 GPRESSAVG: 7000 -40.7412 -15.4955 -14.1273 -16.5916 -2.25165 -52.6747 -14.0941 -48.2601 16.109 TIMING: 7000 CPU: 21.0161, 0.00300499/step Wall: 21.0161, 0.00300499/step, 4.16775 hours remaining, 195.515625 MB of memory in use. ENERGY: 7000 751.9518 2080.8351 1949.5857 106.0859 -206484.1255 17961.9060 0.0000 0.0000 34322.5150 -149311.2460 299.7471 -183633.7610 -149211.1588 298.8971 49.4030 81.4894 557603.6098 -8.8286 -8.9613 PRESSURE: 7200 16.2188 -23.2779 66.3355 -23.278 362.321 -5.43616 66.3349 -5.43659 127.491 GPRESSURE: 7200 41.9262 -3.37065 4.42136 92.8216 395.79 -17.1637 106.103 -26.3147 161.155 PRESSAVG: 7200 -47.4332 -47.076 -21.3232 -47.076 62.9175 33.449 -21.3234 33.4491 28.426 GPRESSAVG: 7200 -47.6221 -48.4964 -22.0839 -44.7202 63.7247 35.8604 -21.3502 31.2138 28.476 TIMING: 7200 CPU: 21.6115, 0.00297719/step Wall: 21.6115, 0.00297719/step, 4.12903 hours remaining, 195.515625 MB of memory in use. ENERGY: 7200 744.4203 2096.9539 1903.1653 108.6622 -206637.0739 18066.5375 0.0000 0.0000 34116.6930 -149600.6415 297.9496 -183717.3346 -149503.6508 298.3232 168.6769 199.6238 555878.3555 14.6368 14.8595 PRESSURE: 7400 229.746 -199.322 122.151 -199.323 -230.015 -43.5459 122.15 -43.5449 -24.4018 GPRESSURE: 7400 241.393 -227.925 142.892 -82.1042 -125.605 -77.2962 171.47 -35.6165 -35.6949 PRESSAVG: 7400 4.19633 -31.3635 29.8893 -31.3635 0.563654 -11.6024 29.8893 -11.6024 -1.64399 GPRESSAVG: 7400 4.16516 -30.479 30.4752 -33.8219 0.544974 -13.3188 33.2822 -10.0894 -1.53739 TIMING: 7400 CPU: 22.2057, 0.00297082/step Wall: 22.2057, 0.00297082/step, 4.12004 hours remaining, 195.546875 MB of memory in use. ENERGY: 7400 730.5396 2104.1260 1933.3545 123.8632 -206383.9265 17690.1220 0.0000 0.0000 34315.3170 -149486.6042 299.6842 -183801.9212 -149390.1484 298.6332 -8.2236 26.6979 557029.0506 1.0387 1.0576 PRESSURE: 7600 -118.878 -41.9593 -126.466 -41.9593 -80.9587 -25.3753 -126.467 -25.3751 -53.55 GPRESSURE: 7600 -71.1304 32.6259 -121.18 -2.21268 -92.9716 -78.1057 -127.499 37.3506 8.92491 PRESSAVG: 7600 38.9005 -20.3901 16.456 -20.3901 -60.7396 -7.88332 16.456 -7.88333 -26.2121 GPRESSAVG: 7600 39.5164 -20.9363 17.9542 -18.7782 -60.3797 -8.63785 13.5898 -6.73452 -27.7203 TIMING: 7600 CPU: 22.8008, 0.00297586/step Wall: 22.8008, 0.00297586/step, 4.12686 hours remaining, 195.546875 MB of memory in use. ENERGY: 7600 738.5420 2128.4542 1915.8947 114.8751 -206543.1763 17800.8828 0.0000 0.0000 34302.8994 -149541.6282 299.5758 -183844.5276 -149443.4672 298.6293 -84.4621 -51.7257 557685.3866 -16.0171 -16.1946 PRESSURE: 7800 -71.7263 18.7121 132.903 18.7123 114.197 -70.8538 132.903 -70.8544 211.115 GPRESSURE: 7800 -16.9343 12.7017 37.4464 34.5858 109.967 -72.9625 76.3404 -83.8948 251.594 PRESSAVG: 7800 -55.4885 24.4952 78.7173 24.4952 -31.2171 11.0679 78.7173 11.068 28.8007 GPRESSAVG: 7800 -54.7303 25.2731 78.7889 21.9371 -31.7604 9.6225 78.9443 10.7647 28.3897 TIMING: 7800 CPU: 23.3961, 0.00297642/step Wall: 23.3961, 0.00297642/step, 4.12747 hours remaining, 195.546875 MB of memory in use. ENERGY: 7800 744.6742 2114.5550 1935.1876 108.0454 -206638.5910 18088.4733 0.0000 0.0000 34172.3287 -149475.3268 298.4354 -183647.6555 -149382.0992 298.4854 84.5285 114.8755 557185.2964 -19.3017 -19.3670 PRESSURE: 8000 72.2334 84.4322 -79.5925 84.4329 0.991177 -216.927 -79.5919 -216.926 76.8697 GPRESSURE: 8000 101.986 161.054 -17.3683 29.7336 39.0649 -175.471 -46.8418 -214.668 100.515 PRESSAVG: 8000 -44.1279 30.5195 -7.96608 30.5194 86.0634 -18.5991 -7.96594 -18.5992 -81.333 GPRESSAVG: 8000 -44.5458 30.9447 -9.61856 33.6541 85.6323 -16.5696 -7.37932 -20.5203 -80.3834 TIMING: 8000 CPU: 23.9936, 0.00298726/step Wall: 23.9936, 0.00298726/step, 4.14234 hours remaining, 195.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 8000 732.3867 2136.1037 1905.4409 132.2662 -206498.1210 17919.6895 0.0000 0.0000 34275.0929 -149397.1412 299.3329 -183672.2341 -149299.1402 298.8862 50.0314 80.5220 557681.0065 -13.1325 -13.0990 PRESSURE: 8200 -81.1391 -160.368 -192.096 -160.369 -110.014 -257.121 -192.096 -257.122 -228.331 GPRESSURE: 8200 5.19771 -73.9068 -199.491 -186.566 -130.535 -169.215 -177.997 -262.777 -201.379 PRESSAVG: 8200 -18.1738 -4.1268 -1.40378 -4.12703 1.57289 -33.0088 -1.40377 -33.0089 -4.67227 GPRESSAVG: 8200 -18.8271 -3.32982 0.278333 -3.84098 2.75823 -33.5254 -2.02373 -33.6832 -5.17233 TIMING: 8200 CPU: 24.5913, 0.00298855/step Wall: 24.5913, 0.00298855/step, 4.14396 hours remaining, 195.546875 MB of memory in use. ENERGY: 8200 783.6183 2123.5562 1936.9996 93.6119 -206309.5854 17689.9936 0.0000 0.0000 34272.5964 -149409.2093 299.3111 -183681.8057 -149308.3409 298.3381 -139.8279 -108.9054 556962.8889 -7.0911 -7.0804 LDB: ============= START OF LOAD BALANCING ============== 28.1385 LDB: ============== END OF LOAD BALANCING =============== 28.1386 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 28.1402 LDB: ============= START OF LOAD BALANCING ============== 28.4402 LDB: Largest compute 4796 load 0.028997 is 24.7% of average load 0.117572 LDB: Average compute 0.001733 is 1.5% of average load 0.117572 LDB: TIME 28.4426 LOAD: AVG 0.117572 MAX 0.205 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 197.395 MB LDB: TIME 28.4429 LOAD: AVG 0.117572 MAX 0.205 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.641 MB LDB: TIME 28.443 LOAD: AVG 0.117572 MAX 0.205 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.641 MB LDB: ============== END OF LOAD BALANCING =============== 28.4447 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 28.449 PRESSURE: 8400 24.9715 46.9073 -12.6347 46.9067 128.084 -6.36747 -12.6343 -6.36958 102.369 GPRESSURE: 8400 51.0155 55.7681 5.81485 50.4365 218.189 -21.0358 -14.4745 -9.51989 69.0173 PRESSAVG: 8400 39.7383 16.4364 23.5443 16.4364 27.4282 -17.5562 23.5443 -17.5563 -51.3413 GPRESSAVG: 8400 40.6219 17.3894 23.0979 14.5651 26.2825 -17.3129 25.0195 -15.1575 -50.7171 TIMING: 8400 CPU: 25.1991, 0.00303932/step Wall: 25.1991, 0.00303932/step, 4.21419 hours remaining, 197.312500 MB of memory in use. ENERGY: 8400 724.1042 2126.9493 1940.2342 110.3667 -206483.9585 17907.2171 0.0000 0.0000 34261.3874 -149413.6995 299.2132 -183675.0869 -149309.9643 298.8597 85.1418 112.7405 556331.9386 5.2750 5.3957 PRESSURE: 8600 -209.688 -78.7991 -176.03 -78.7983 79.9947 50.3192 -176.03 50.3195 64.5323 GPRESSURE: 8600 -187.826 -18.5512 -264.899 -159.604 157.062 5.58719 -136.772 55.2366 67.0429 PRESSAVG: 8600 -16.8037 50.7978 6.81338 50.7977 17.0752 -31.5614 6.81325 -31.5614 -15.1134 GPRESSAVG: 8600 -15.9205 47.4038 5.86041 52.3819 16.4657 -32.6541 7.27258 -32.069 -15.135 TIMING: 8600 CPU: 25.7922, 0.00296537/step Wall: 25.7922, 0.00296537/step, 4.11149 hours remaining, 196.695312 MB of memory in use. ENERGY: 8600 767.6769 2081.5875 1935.8436 113.2423 -206511.7747 17926.1943 0.0000 0.0000 34279.9424 -149407.2876 299.3753 -183687.2300 -149314.7466 298.5433 -21.7203 12.0929 557881.8750 -4.9473 -4.8633 PRESSURE: 8800 -97.0582 -78.2398 92.3026 -78.2388 34.8388 19.9361 92.303 19.9366 -202.757 GPRESSURE: 8800 -45.5172 -84.7516 143.684 24.8083 44.648 -8.18761 228.279 -36.0265 -168.412 PRESSAVG: 8800 -26.2503 53.4043 36.0956 53.4043 33.4132 -23.7929 36.0957 -23.7929 -5.69907 GPRESSAVG: 8800 -27.8479 55.2414 37.9464 51.9947 34.2788 -24.0236 35.0523 -24.4257 -5.02128 TIMING: 8800 CPU: 26.3825, 0.00295133/step Wall: 26.3825, 0.00295133/step, 4.09185 hours remaining, 196.695312 MB of memory in use. ENERGY: 8800 735.7314 2091.0369 1937.8757 119.1915 -206370.9592 17799.1475 0.0000 0.0000 34238.8268 -149449.1495 299.0162 -183687.9762 -149358.4930 298.4992 -88.3254 -56.4270 557825.7444 0.4879 0.4699 PRESSURE: 9000 -370.082 91.6325 -86.1058 91.6328 -59.7931 -57.7385 -86.1048 -57.7387 -211.949 GPRESSURE: 9000 -340.102 82.1523 -112.887 91.2671 -34.4193 28.3448 -55.874 -13.6499 -168.74 PRESSAVG: 9000 -23.8057 43.6495 -19.9824 43.6497 13.5755 -22.4373 -19.9822 -22.4372 -37.6415 GPRESSAVG: 9000 -24.8317 43.6859 -19.5655 43.5094 13.577 -22.677 -22.2629 -22.5157 -36.4575 TIMING: 9000 CPU: 26.9778, 0.00297665/step Wall: 26.9778, 0.00297665/step, 4.12679 hours remaining, 196.695312 MB of memory in use. ENERGY: 9000 760.9558 2098.6918 1942.1500 98.7248 -206150.4012 17659.1069 0.0000 0.0000 34222.8656 -149367.9063 298.8768 -183590.7719 -149270.3798 298.4748 -213.9415 -181.0869 558419.8733 -15.9572 -15.9041 PRESSURE: 9200 187.293 51.8575 32.0057 51.8592 -10.6259 100.033 32.0069 100.033 81.7234 GPRESSURE: 9200 203.085 38.3715 39.6405 -7.77468 45.6672 73.6826 23.5036 90.482 99.4175 PRESSAVG: 9200 15.5882 82.3346 10.3403 82.3345 -13.8002 8.47789 10.3402 8.47791 -34.8133 GPRESSAVG: 9200 18.275 82.2672 10.6491 83.7284 -14.3021 10.1109 10.9543 8.31594 -37.2686 TIMING: 9200 CPU: 27.566, 0.00294071/step Wall: 27.566, 0.00294071/step, 4.07681 hours remaining, 196.695312 MB of memory in use. ENERGY: 9200 723.2071 2044.7076 1929.6543 115.5012 -205941.6357 17753.5751 0.0000 0.0000 34016.0429 -149358.9475 297.0706 -183374.9904 -149269.7027 298.2599 86.1301 116.0566 556829.3200 -11.0084 -11.0986 PRESSURE: 9400 110.91 50.4442 -77.9963 50.444 54.1551 -187.566 -77.9958 -187.566 -21.7695 GPRESSURE: 9400 177.739 75.1588 -163.23 43.3294 35.1981 -237.365 -13.8298 -168.276 40.483 PRESSAVG: 9400 51.6152 35.8101 -17.3903 35.8102 -14.5918 9.21983 -17.3903 9.21981 19.56 GPRESSAVG: 9400 49.7264 34.6425 -19.6623 34.4461 -14.0687 8.59625 -16.8254 10.3172 20.8777 TIMING: 9400 CPU: 28.1595, 0.00296786/step Wall: 28.1595, 0.00296786/step, 4.11428 hours remaining, 196.695312 MB of memory in use. ENERGY: 9400 763.1480 2019.7054 1920.8865 112.8401 -206433.7584 18008.6351 0.0000 0.0000 34279.1171 -149329.4262 299.3681 -183608.5433 -149234.0009 298.9354 47.7651 84.4732 557926.6139 18.8611 18.8451 PRESSURE: 9600 -21.5686 88.4242 -105.092 88.4242 22.73 172.003 -105.092 172.004 193.519 GPRESSURE: 9600 9.41744 135.954 -153.402 41.02 49.7725 141.62 -85.2452 212.827 240.716 PRESSAVG: 9600 -25.3244 43.0725 -10.9762 43.0725 25.278 8.23335 -10.9763 8.23321 -13.8796 GPRESSAVG: 9600 -24.4595 44.4027 -11.048 42.5338 24.8063 8.65181 -10.3949 6.5196 -14.0851 TIMING: 9600 CPU: 28.7554, 0.00297911/step Wall: 28.7554, 0.00297911/step, 4.12971 hours remaining, 196.695312 MB of memory in use. ENERGY: 9600 726.9431 2101.9331 1912.6302 102.3211 -206276.3041 17775.6365 0.0000 0.0000 34320.8238 -149336.0161 299.7323 -183656.8399 -149236.3445 298.8548 64.8935 99.9687 556672.3797 -4.6420 -4.5794 PRESSURE: 9800 124.108 40.8597 -24.2944 40.8592 40.8051 140.669 -24.2951 140.669 295.484 GPRESSURE: 9800 166.822 29.4339 -35.8758 -25.3842 133.3 130.923 -4.42056 127.101 255.903 PRESSAVG: 9800 14.3325 -22.8834 -13.9602 -22.8834 1.97071 0.662813 -13.9603 0.662907 -11.2556 GPRESSAVG: 9800 13.2725 -24.7863 -12.3597 -21.0163 2.37245 -0.339172 -15.6053 1.83628 -9.97949 TIMING: 9800 CPU: 29.3494, 0.00297044/step Wall: 29.3494, 0.00297044/step, 4.11753 hours remaining, 196.695312 MB of memory in use. ENERGY: 9800 752.3741 2118.9002 1922.7953 116.0968 -206581.5847 18215.8685 0.0000 0.0000 34192.4555 -149263.0943 298.6112 -183455.5498 -149168.2906 299.0987 153.4658 185.3415 558484.9562 1.6825 1.8885 PRESSURE: 10000 76.0123 -30.4273 2.30082 -30.4285 92.031 40.4408 2.30098 40.4407 -74.9934 GPRESSURE: 10000 124.137 -25.2956 56.7788 5.60093 71.0255 57.0987 -13.4807 47.9839 -9.33861 PRESSAVG: 10000 -24.3655 14.1226 17.1732 14.1226 -3.53389 -11.8977 17.1732 -11.8978 21.3345 GPRESSAVG: 10000 -23.8098 14.7779 15.1302 13.6289 -4.45959 -10.2499 18.4941 -11.5284 21.2791 TIMING: 10000 CPU: 29.9403, 0.00295452/step Wall: 29.9403, 0.00295452/step, 4.0953 hours remaining, 196.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 10000 756.1319 2040.4530 1953.4601 124.0778 -206671.7643 17971.4323 0.0000 0.0000 34479.6908 -149346.5183 301.1197 -183826.2091 -149256.2219 299.4099 31.0167 61.9412 556953.4772 -2.1883 -2.3301 PRESSURE: 10200 88.656 80.0011 -48.5142 80.0008 55.1211 49.5907 -48.5134 49.5908 -9.38095 GPRESSURE: 10200 49.1748 121.833 -80.7598 18.1323 139.818 14.7823 -95.8801 73.6062 41.0858 PRESSAVG: 10200 28.6868 41.4714 -4.71715 41.4714 -32.8551 37.675 -4.71708 37.675 33.5481 GPRESSAVG: 10200 29.3808 41.0823 -3.16076 41.3758 -31.8625 37.9893 -4.32145 35.0233 32.0089 TIMING: 10200 CPU: 30.5325, 0.00296085/step Wall: 30.5325, 0.00296085/step, 4.10391 hours remaining, 196.761719 MB of memory in use. ENERGY: 10200 741.3313 2112.3014 1972.9539 114.0144 -206412.1625 17840.0341 0.0000 0.0000 34164.6688 -149466.8587 298.3685 -183631.5275 -149376.7206 298.8280 44.7987 76.6928 558560.3752 9.7933 9.8424 PRESSURE: 10400 -156.842 2.59461 5.37898 2.59421 -24.607 134.683 5.37914 134.682 -149.512 GPRESSURE: 10400 -103.504 -8.91134 -10.5412 58.8998 -29.4874 133.5 34.2883 126.667 -102.263 PRESSAVG: 10400 6.52835 28.1198 52.1674 28.1197 -11.7591 25.8314 52.1673 25.8315 6.42574 GPRESSAVG: 10400 6.12331 29.0866 51.098 26.7179 -12.443 25.9395 51.5126 26.8605 6.62297 TIMING: 10400 CPU: 31.1217, 0.00294603/step Wall: 31.1217, 0.00294603/step, 4.0832 hours remaining, 196.761719 MB of memory in use. ENERGY: 10400 753.3623 2080.8156 1957.4529 107.8264 -206206.3472 17720.8888 0.0000 0.0000 34097.7697 -149488.2316 297.7843 -183586.0012 -149391.5442 298.3406 -110.3204 -78.4180 558334.6909 0.3983 0.1011 PRESSURE: 10600 -213.048 -1.52467 19.7957 -1.52359 -356.883 90.6799 19.7957 90.6809 -96.2288 GPRESSURE: 10600 -212.032 -12.6065 77.5011 -14.746 -273.168 53.8305 54.1649 60.206 -82.8507 PRESSAVG: 10600 28.7707 37.5331 51.8789 37.5331 -16.6585 37.9163 51.8789 37.9163 -6.93447 GPRESSAVG: 10600 27.9053 37.7023 53.1396 37.4465 -16.1292 37.8307 51.4139 37.8306 -7.04498 TIMING: 10600 CPU: 31.7084, 0.00293337/step Wall: 31.7084, 0.00293337/step, 4.06548 hours remaining, 196.761719 MB of memory in use. ENERGY: 10600 798.3836 2100.5396 1942.3573 112.9706 -206042.9918 17524.5541 0.0000 0.0000 34078.9329 -149485.2537 297.6198 -183564.1866 -149395.8355 298.5150 -222.0531 -189.3504 557639.8440 1.7259 1.5771 PRESSURE: 10800 -108.215 -141.094 -48.6264 -141.094 112.991 69.5042 -48.6271 69.5042 27.0931 GPRESSURE: 10800 -88.058 -108.048 15.6389 -145.608 140.027 26.8074 -23.2535 77.4267 81.3783 PRESSAVG: 10800 14.4196 -30.1678 -5.52973 -30.1678 -9.1123 39.9893 -5.52969 39.9892 54.2482 GPRESSAVG: 10800 14.2824 -30.4445 -4.16557 -28.8703 -9.80904 39.0177 -4.88564 40.5071 55.5253 TIMING: 10800 CPU: 32.296, 0.00293826/step Wall: 32.296, 0.00293826/step, 4.07211 hours remaining, 196.761719 MB of memory in use. ENERGY: 10800 749.4368 2049.5940 1930.9305 114.9944 -206501.2771 17834.5764 0.0000 0.0000 34208.7861 -149612.9589 298.7538 -183821.7450 -149514.9070 298.5645 10.6233 44.4493 556074.0577 19.8518 19.9996 PRESSURE: 11000 135.479 7.08307 -26.2572 7.08435 -303.441 179.382 -26.2567 179.382 -39.2793 GPRESSURE: 11000 181.735 14.3465 18.2714 14.7202 -280.338 200.336 -21.7701 224.138 -12.7004 PRESSAVG: 11000 6.85988 34.7341 23.067 34.7341 5.83503 10.5742 23.067 10.5743 19.1921 GPRESSAVG: 11000 7.15574 35.1233 21.7698 31.9228 6.54017 11.6679 22.7435 10.2862 18.2122 TIMING: 11000 CPU: 32.8897, 0.00296835/step Wall: 32.8897, 0.00296835/step, 4.11364 hours remaining, 196.761719 MB of memory in use. ENERGY: 11000 751.3536 2107.7170 1923.5463 99.9705 -206274.1784 17650.4790 0.0000 0.0000 34123.2089 -149617.9030 298.0065 -183741.1120 -149519.2546 298.5714 -69.0805 -37.1012 554585.5092 10.6290 10.6361 PRESSURE: 11200 -76.4218 -48.4611 -18.2444 -48.4622 -37.7344 218.8 -18.2442 218.799 -65.949 GPRESSURE: 11200 -89.3391 2.90335 15.905 -68.2326 57.9946 243.863 -98.8756 186.672 -49.1825 PRESSAVG: 11200 -10.868 26.144 -3.62113 26.144 28.4055 19.1914 -3.62109 19.1914 -57.6946 GPRESSAVG: 11200 -10.394 28.1912 -5.10476 25.6147 27.79 18.3947 -2.40502 17.5853 -57.0743 TIMING: 11200 CPU: 33.4881, 0.00299205/step Wall: 33.4881, 0.00299205/step, 4.14631 hours remaining, 196.914062 MB of memory in use. ENERGY: 11200 743.4785 2092.1498 1949.0714 117.0558 -206247.4685 17537.4297 0.0000 0.0000 34282.5402 -149525.7432 299.3980 -183808.2834 -149422.1139 298.0273 -60.0351 -26.8424 554528.4363 -13.3857 -13.2261 PRESSURE: 11400 -59.5344 24.3023 -20.5975 24.3027 107.647 35.1733 -20.5967 35.1716 -408.643 GPRESSURE: 11400 24.599 -40.9697 56.6217 129.197 73.7225 -111.745 -71.1796 31.5145 -364.138 PRESSAVG: 11400 -17.3945 -2.4229 -22.4066 -2.42296 23.9928 8.16751 -22.4066 8.16753 11.3069 GPRESSAVG: 11400 -17.1991 -4.12005 -23.2683 -1.59222 24.4658 8.35997 -22.4198 8.30622 10.7859 TIMING: 11400 CPU: 34.084, 0.00297949/step Wall: 34.084, 0.00297949/step, 4.12874 hours remaining, 196.968750 MB of memory in use. ENERGY: 11400 719.1417 2083.8360 1925.9289 94.8782 -206334.5109 17679.2504 0.0000 0.0000 34126.1445 -149705.3313 298.0321 -183831.4758 -149609.2037 298.0302 -120.1769 -88.6055 556727.1147 5.9684 6.0175 PRESSURE: 11600 -130.329 -113.742 49.8392 -113.742 3.35646 -2.21465 49.839 -2.2164 57.4098 GPRESSURE: 11600 -104.863 -109.967 -10.3022 -78.8143 52.3239 -42.399 59.4527 50.2568 73.7701 PRESSAVG: 11600 -50.5558 58.3365 76.1195 58.3365 67.4503 9.8214 76.1196 9.82131 8.11177 GPRESSAVG: 11600 -50.3018 58.7635 78.1031 58.3879 68.1967 8.87259 76.3366 11.8537 7.03175 TIMING: 11600 CPU: 34.6755, 0.00295761/step Wall: 34.6755, 0.00295761/step, 4.09827 hours remaining, 196.968750 MB of memory in use. ENERGY: 11600 734.6536 2076.8675 1952.2652 104.0920 -206280.1417 17701.4762 0.0000 0.0000 34158.1986 -149552.5885 298.3120 -183710.7871 -149454.2179 298.2958 -23.1877 7.0769 557047.6502 8.3354 8.3089 PRESSURE: 11800 72.6907 -231.327 27.6418 -231.327 -76.8452 190.794 27.643 190.794 -221.535 GPRESSURE: 11800 122.015 -243.892 -24.5129 -225.488 -61.8058 158.287 28.1738 135.016 -183.259 PRESSAVG: 11800 -18.8745 -0.827818 -3.04078 -0.827699 10.9634 -7.61621 -3.04085 -7.61622 -14.3044 GPRESSAVG: 11800 -20.3036 -3.31087 -4.45269 1.26221 9.16822 -5.88922 -3.31997 -8.96471 -11.2869 TIMING: 11800 CPU: 35.2648, 0.00294628/step Wall: 35.2648, 0.00294628/step, 4.0824 hours remaining, 197.058594 MB of memory in use. ENERGY: 11800 734.7185 2124.2562 1943.5460 105.8204 -206460.7238 17710.1102 0.0000 0.0000 34233.0742 -149609.1982 298.9660 -183842.2724 -149508.9509 298.2266 -75.2298 -41.0163 555939.3235 -7.4052 -7.4741 PRESSURE: 12000 11.1253 81.8807 -66.1569 81.8806 -36.8955 27.567 -66.1576 27.5662 -121.338 GPRESSURE: 12000 44.7613 68.2666 -95.1714 57.3246 -26.0162 71.4482 -100.956 16.0889 -55.7531 PRESSAVG: 12000 -35.7221 -20.8427 -56.1452 -20.8427 5.29865 2.74386 -56.1452 2.74387 17.9272 GPRESSAVG: 12000 -34.3519 -20.4611 -57.1554 -21.8266 6.39345 2.66371 -54.7148 3.68007 15.7731 TIMING: 12000 CPU: 35.8593, 0.00297255/step Wall: 35.8593, 0.00297255/step, 4.11864 hours remaining, 197.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 12000 739.6247 2105.1859 1945.7769 126.3398 -206061.4673 17709.4560 0.0000 0.0000 34004.5469 -149430.5371 296.9702 -183435.0840 -149337.5885 299.0375 -49.0362 -12.3360 557049.1909 -4.1654 -4.0618 PRESSURE: 12200 2.10625 -30.7598 251.735 -30.7593 -179.096 -1.61917 251.735 -1.61913 -152.442 GPRESSURE: 12200 -23.2138 -41.45 141.845 -61.0436 -127.044 17.5682 279.016 -9.47545 -75.3819 PRESSAVG: 12200 5.53273 33.1763 15.9155 33.1765 -0.607824 3.22493 15.9156 3.22502 14.916 GPRESSAVG: 12200 4.74605 31.7511 16.5529 35.0992 -0.694823 4.73501 15.2672 3.89992 16.5828 TIMING: 12200 CPU: 36.453, 0.00296851/step Wall: 36.453, 0.00296851/step, 4.11287 hours remaining, 197.058594 MB of memory in use. ENERGY: 12200 799.6752 2143.1244 1926.0004 118.6000 -206428.6179 17925.7772 0.0000 0.0000 34212.4816 -149302.9590 298.7861 -183515.4406 -149210.1139 299.2309 -109.8105 -75.2132 557374.4400 6.6136 6.8780 LDB: ============= START OF LOAD BALANCING ============== 39.9998 LDB: ============== END OF LOAD BALANCING =============== 40 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 40.0017 LDB: ============= START OF LOAD BALANCING ============== 40.2989 LDB: Largest compute 4796 load 0.029182 is 24.8% of average load 0.117682 LDB: Average compute 0.001732 is 1.5% of average load 0.117682 LDB: TIME 40.3013 LOAD: AVG 0.117682 MAX 0.206404 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 196.492 MB LDB: TIME 40.3016 LOAD: AVG 0.117682 MAX 0.206404 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 196.516 MB LDB: TIME 40.3017 LOAD: AVG 0.117682 MAX 0.206404 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 196.516 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 40.3035 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 40.3074 PRESSURE: 12400 97.9745 94.8855 -22.015 94.8855 -138.378 -32.5262 -22.0143 -32.5251 151.741 GPRESSURE: 12400 183.304 116.73 -109.016 55.0031 -149.476 -63.7021 -5.55606 -81.9174 186.323 PRESSAVG: 12400 23.3854 -10.8448 6.11516 -10.8447 -8.6418 -16.6435 6.11515 -16.6435 -28.9553 GPRESSAVG: 12400 24.2388 -10.6862 5.47979 -10.61 -8.64361 -16.7032 6.57793 -18.6858 -29.8261 TIMING: 12400 CPU: 37.0574, 0.00302198/step Wall: 37.0574, 0.00302198/step, 4.18678 hours remaining, 196.265625 MB of memory in use. ENERGY: 12400 762.6770 2101.6831 1943.7253 119.2399 -206638.9888 18001.9983 0.0000 0.0000 34271.7071 -149437.9580 299.3033 -183709.6652 -149342.6815 299.2875 37.1124 73.3838 557395.7110 -4.7372 -4.7436 PRESSURE: 12600 36.2691 -49.6648 104.047 -49.6648 -105.099 -19.0814 104.047 -19.0808 -75.5549 GPRESSURE: 12600 75.0638 -39.8254 85.2393 -7.769 -69.0048 5.50475 82.7078 72.0229 -54.9948 PRESSAVG: 12600 22.5364 12.5846 0.985545 12.5846 -53.954 -7.26489 0.985572 -7.26489 0.270948 GPRESSAVG: 12600 23.1526 14.8708 2.80464 9.60431 -53.7588 -9.38065 -1.57634 -7.10044 -0.869898 TIMING: 12600 CPU: 37.648, 0.00295295/step Wall: 37.648, 0.00295295/step, 4.09098 hours remaining, 196.277344 MB of memory in use. ENERGY: 12600 770.2592 2100.7707 1952.1292 110.9220 -206332.4879 17823.8137 0.0000 0.0000 33981.3488 -149593.2444 296.7676 -183574.5932 -149502.3536 299.0700 -48.1283 -16.3119 557038.1410 -10.3822 -10.4921 PRESSURE: 12800 -36.3133 -20.748 -63.5752 -20.7477 -135.659 42.545 -63.5755 42.5443 38.4792 GPRESSURE: 12800 -28.603 -59.408 0.36861 18.5215 -81.4068 21.2606 -26.5573 91.1748 59.9165 PRESSAVG: 12800 60.2276 -18.4429 33.2031 -18.443 -2.55979 3.94057 33.203 3.94053 7.35812 GPRESSAVG: 12800 58.4886 -18.0439 32.5988 -19.2617 -2.39317 4.97555 33.9434 1.3636 8.49532 TIMING: 12800 CPU: 38.2474, 0.00299712/step Wall: 38.2474, 0.00299712/step, 4.15201 hours remaining, 196.371094 MB of memory in use. ENERGY: 12800 771.5728 2097.3363 1933.2215 119.8929 -206310.4581 17732.6057 0.0000 0.0000 33901.0747 -149754.7541 296.0665 -183655.8288 -149661.6759 298.4123 -44.4976 -16.6977 555969.1353 21.6753 21.5302 PRESSURE: 13000 -123.853 -142.239 54.0185 -142.238 48.181 -19.4728 54.0193 -19.4745 -77.2511 GPRESSURE: 13000 -107.48 -77.0607 76.8638 -174.62 54.6714 46.1858 38.8774 -38.0456 -10.7105 PRESSAVG: 13000 -32.8096 -13.4529 -17.4051 -13.453 25.1507 26.5783 -17.405 26.5783 19.2332 GPRESSAVG: 13000 -31.6129 -13.2041 -17.8496 -11.5501 23.8833 26.1167 -17.115 29.0764 18.7389 TIMING: 13000 CPU: 38.8447, 0.00298642/step Wall: 38.8447, 0.00298642/step, 4.13702 hours remaining, 196.371094 MB of memory in use. ENERGY: 13000 726.5755 2117.4911 1927.2029 113.8895 -206512.4769 17765.3022 0.0000 0.0000 34199.8060 -149662.2098 298.6754 -183862.0158 -149575.4181 298.3626 -50.9745 -21.1731 557144.0255 3.8581 3.6698 PRESSURE: 13200 -41.2297 23.8279 -134.753 23.8282 88.7803 23.6106 -134.753 23.6117 -122.261 GPRESSURE: 13200 -42.9908 17.4887 -135.626 -33.5847 70.7946 -22.2728 -169.366 -14.712 -19.1737 PRESSAVG: 13200 -15.1571 -46.7573 -27.7624 -46.7574 -10.6825 -59.6731 -27.7625 -59.6731 -28.7941 GPRESSAVG: 13200 -16.0831 -48.7122 -28.097 -45.7972 -9.31106 -57.0414 -28.4204 -61.2776 -29.8817 TIMING: 13200 CPU: 39.4482, 0.0030173/step Wall: 39.4482, 0.0030173/step, 4.17963 hours remaining, 196.371094 MB of memory in use. ENERGY: 13200 735.0820 2121.6120 1912.3212 110.4944 -206341.5836 17865.1674 0.0000 0.0000 34070.4590 -149526.4475 297.5458 -183596.9065 -149427.9169 298.2295 -24.9035 2.8767 558847.4456 -18.2112 -18.4253 PRESSURE: 13400 -22.4458 -78.4288 -99.2345 -78.43 -271.171 -6.95022 -99.2344 -6.95095 133.369 GPRESSURE: 13400 -7.69562 -62.9855 -123.884 -109.529 -220.097 -17.7664 -21.4929 3.53857 171.737 PRESSAVG: 13400 40.8857 -17.2295 -48.6887 -17.2296 3.68437 10.0225 -48.6887 10.0225 -20.4329 GPRESSAVG: 13400 40.6188 -15.721 -48.532 -19.3425 3.83427 7.54066 -48.0548 11.6066 -20.0291 TIMING: 13400 CPU: 40.0439, 0.00297881/step Wall: 40.0439, 0.00297881/step, 4.12615 hours remaining, 196.371094 MB of memory in use. ENERGY: 13400 703.5678 2021.4462 1939.3509 107.2027 -206355.7344 17789.9163 0.0000 0.0000 34209.2030 -149585.0476 298.7575 -183794.2506 -149479.2521 298.4268 -53.4159 -18.6853 558092.0988 8.0457 8.1413 PRESSURE: 13600 -24.4935 -18.4982 -12.1352 -18.4974 -213.467 -141.363 -12.1365 -141.364 -295.274 GPRESSURE: 13600 36.2407 -25.2985 39.8811 -6.45451 -221.141 -152.23 -32.7104 -111.283 -260.73 PRESSAVG: 13600 -29.9777 9.58809 2.04381 9.58804 46.6496 -73.2366 2.04369 -73.2367 2.36125 GPRESSAVG: 13600 -30.093 10.3081 1.67326 10.1428 46.2855 -72.3849 3.67256 -74.5388 2.48144 TIMING: 13600 CPU: 40.6342, 0.0029513/step Wall: 40.6342, 0.0029513/step, 4.08788 hours remaining, 196.371094 MB of memory in use. ENERGY: 13600 756.4053 2046.2535 1955.4480 118.4203 -206325.7376 17717.5229 0.0000 0.0000 33876.3549 -149855.3327 295.8506 -183731.6876 -149754.1255 297.7029 -177.7447 -148.5434 558451.2024 6.3444 6.2246 PRESSURE: 13800 -165.312 -8.16768 239.704 -8.16877 -156.917 -61.2353 239.705 -61.2365 -64.5616 GPRESSURE: 13800 -138.519 29.1084 217.406 7.01632 -83.4909 -34.211 213.62 -68.3465 -71.2765 PRESSAVG: 13800 -40.024 -25.3788 11.2877 -25.3789 -6.18858 -71.3365 11.2878 -71.3366 30.9339 GPRESSAVG: 13800 -40.6459 -25.5898 13.0915 -26.3149 -5.97305 -73.8064 8.99031 -67.9854 31.7528 TIMING: 13800 CPU: 41.2228, 0.0029428/step Wall: 41.2228, 0.0029428/step, 4.07594 hours remaining, 196.375000 MB of memory in use. ENERGY: 13800 736.3981 2113.1674 1946.9059 106.6543 -206421.3810 17669.5334 0.0000 0.0000 34105.3684 -149743.3535 297.8507 -183848.7219 -149652.3238 297.7538 -128.9303 -97.7622 556598.3245 -5.0929 -4.9554 PRESSURE: 14000 -571.458 -22.6321 92.6791 -22.6318 -10.3382 -47.6346 92.679 -47.6351 172.264 GPRESSURE: 14000 -505.847 8.85619 129.569 -107.077 24.8348 6.00386 62.0134 -151.851 169.199 PRESSAVG: 14000 -71.8873 -77.5645 31.1813 -77.5646 38.833 -9.88189 31.1814 -9.882 4.04805 GPRESSAVG: 14000 -71.5249 -79.1266 31.746 -76.5512 39.0368 -7.42399 31.4015 -11.4688 3.00558 TIMING: 14000 CPU: 41.8169, 0.00297085/step Wall: 41.8169, 0.00297085/step, 4.11462 hours remaining, 196.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 14000 742.0373 2073.9160 1953.2181 116.3031 -206452.7274 17745.5963 0.0000 0.0000 34054.2184 -149767.4381 297.4040 -183821.6565 -149674.8999 297.2090 -136.5107 -103.9378 558125.0573 -9.6688 -9.8275 PRESSURE: 14200 -54.0998 -11.1056 199.23 -11.1056 -248.792 191.056 199.231 191.057 -124.98 GPRESSURE: 14200 -64.9689 19.2368 174.155 -2.72608 -225.373 142.175 225.205 87.9803 -45.4919 PRESSAVG: 14200 -27.8764 -8.79669 15.4725 -8.79669 -10.9796 -11.7436 15.4724 -11.7435 76.3296 GPRESSAVG: 14200 -28.1528 -8.67993 13.575 -7.53744 -11.2098 -12.677 15.0149 -13.9889 76.4906 TIMING: 14200 CPU: 42.4096, 0.00296337/step Wall: 42.4096, 0.00296337/step, 4.1041 hours remaining, 196.429688 MB of memory in use. ENERGY: 14200 761.0079 1985.0672 1948.9721 110.0948 -206273.4262 17663.1993 0.0000 0.0000 34109.9677 -149695.1172 297.8908 -183805.0849 -149606.5948 297.6901 -142.6241 -111.9445 556681.1232 12.4912 12.3760 PRESSURE: 14400 141.651 -62.5053 12.5048 -62.5052 -21.2804 -4.86094 12.5047 -4.86188 -82.9993 GPRESSURE: 14400 227.795 -2.78281 14.1328 -138.886 12.2811 -22.1682 30.7588 11.1862 -106.053 PRESSAVG: 14400 -10.4658 -17.1255 3.91744 -17.1254 -59.0431 31.9384 3.9174 31.9384 22.0995 GPRESSAVG: 14400 -10.7434 -17.0881 5.85716 -17.7193 -58.5925 31.0861 5.37295 35.9058 21.5864 TIMING: 14400 CPU: 43.009, 0.00299704/step Wall: 43.009, 0.00299704/step, 4.15057 hours remaining, 196.433594 MB of memory in use. ENERGY: 14400 715.9901 2098.2820 1921.1363 117.8221 -206485.5926 17909.2699 0.0000 0.0000 34038.3878 -149684.7043 297.2657 -183723.0921 -149593.7880 297.9526 12.4571 44.6744 557280.3290 -15.8032 -15.9165 PRESSURE: 14600 -248.945 155.178 -44.9464 155.179 -292.951 -200.348 -44.9455 -200.348 75.2471 GPRESSURE: 14600 -248.626 149.234 -84.3323 22.9378 -248.877 -249.834 -103.062 -144.525 129.102 PRESSAVG: 14600 33.7844 -20.5109 9.64541 -20.5109 -33.5794 -36.5863 9.64542 -36.5864 -17.19 GPRESSAVG: 14600 34.6726 -20.9068 8.06709 -20.0994 -34.7363 -33.6981 8.2303 -38.6827 -17.1724 TIMING: 14600 CPU: 43.6041, 0.0029753/step Wall: 43.6041, 0.0029753/step, 4.12029 hours remaining, 196.433594 MB of memory in use. ENERGY: 14600 731.3435 2087.4316 1941.6227 107.0325 -206217.3653 17640.9031 0.0000 0.0000 34123.5142 -149585.5177 298.0091 -183709.0319 -149492.0557 298.4594 -155.5495 -122.8003 558045.7325 -5.6617 -5.7454 PRESSURE: 14800 -233.57 117.623 57.3162 117.623 163.383 -7.26652 57.3159 -7.266 3.51953 GPRESSURE: 14800 -226.272 173.748 -41.9353 32.0514 182.892 -10.603 9.40988 25.8653 89.7448 PRESSAVG: 14800 27.192 -3.45442 -52.7873 -3.45445 -97.0995 44.6111 -52.7873 44.6111 10.8691 GPRESSAVG: 14800 26.2167 -1.29567 -53.0784 -5.23546 -96.8697 42.9523 -51.1014 44.0738 11.8176 TIMING: 14800 CPU: 44.1994, 0.00297647/step Wall: 44.1994, 0.00297647/step, 4.12176 hours remaining, 196.437500 MB of memory in use. ENERGY: 14800 721.5052 2069.6054 1948.5381 112.3364 -206112.6971 17694.2210 0.0000 0.0000 34029.0750 -149537.4161 297.1844 -183566.4911 -149438.9560 298.1845 -22.2224 15.4547 555702.5567 -19.6795 -19.6118 PRESSURE: 15000 170.347 -81.1254 -178.819 -81.1255 147.127 60.6454 -178.82 60.6443 42.2837 GPRESSURE: 15000 133.597 -95.1901 -94.7553 -90.8768 199.401 29.8908 -146.107 65.4726 114.713 PRESSAVG: 15000 -36.5629 -31.2154 -37.3404 -31.2153 31.6283 -31.977 -37.3405 -31.977 12.0003 GPRESSAVG: 15000 -36.924 -32.9504 -35.6241 -30.5353 31.68 -31.2858 -38.8614 -31.5262 11.7274 TIMING: 15000 CPU: 44.7919, 0.00296264/step Wall: 44.7919, 0.00296264/step, 4.10243 hours remaining, 196.437500 MB of memory in use. ENERGY: 15000 751.1750 2068.0044 1949.0732 102.9383 -206296.5870 17864.3657 0.0000 0.0000 34267.3177 -149293.7126 299.2650 -183561.0303 -149198.4612 299.2542 119.9194 149.2371 555518.4327 2.3552 2.1611 PRESSURE: 15200 -114.894 123.001 -134.842 123.002 1.56941 -91.3999 -134.842 -91.399 177.302 GPRESSURE: 15200 -87.1223 56.1642 -78.0015 99.8521 26.7089 -32.3652 -123.017 -53.5761 224.057 PRESSAVG: 15200 -43.6177 5.1396 38.1491 5.13966 27.5437 -16.3011 38.1491 -16.3011 -14.0628 GPRESSAVG: 15200 -44.0066 6.40149 35.3213 5.28067 28.1629 -14.8466 38.0763 -16.8588 -14.0991 TIMING: 15200 CPU: 45.3891, 0.00298608/step Wall: 45.3891, 0.00298608/step, 4.13473 hours remaining, 196.675781 MB of memory in use. ENERGY: 15200 743.3329 2041.6010 1926.1842 106.2240 -206220.4135 17754.0809 0.0000 0.0000 34327.5051 -149321.4854 299.7906 -183648.9905 -149221.3296 299.3751 21.3260 54.5477 556804.2623 -10.0456 -9.9809 PRESSURE: 15400 82.6313 95.985 58.8263 95.9832 -213.02 33.6045 58.8255 33.6047 -176.061 GPRESSURE: 15400 112.544 104.612 20.8196 91.7013 -148.19 34.0106 20.9783 19.324 -175.164 PRESSAVG: 15400 35.8285 48.5325 62.6312 48.5324 -31.6727 19.642 62.6312 19.642 -3.42432 GPRESSAVG: 15400 36.9054 49.4553 65.0751 46.2303 -31.7303 18.54 60.6677 18.55 -4.38787 TIMING: 15400 CPU: 45.9785, 0.00294701/step Wall: 45.9785, 0.00294701/step, 4.08046 hours remaining, 196.675781 MB of memory in use. ENERGY: 15400 730.8866 2084.6260 1980.7122 101.6539 -206078.5521 17645.4798 0.0000 0.0000 34192.9660 -149342.2275 298.6157 -183535.1935 -149240.1802 299.4475 -102.1498 -70.2703 558669.2767 0.2438 0.2624 PRESSURE: 15600 -62.1282 -108.383 22.8651 -108.383 -131.152 -64.1053 22.8664 -64.1084 -121.03 GPRESSURE: 15600 -7.98463 -134.086 22.3455 -166.019 -77.0329 -73.4672 13.7234 -123.747 -134.639 PRESSAVG: 15600 64.5661 -44.3053 -21.1944 -44.3053 -59.0688 18.1226 -21.1945 18.1225 -6.80977 GPRESSAVG: 15600 63.2858 -44.4597 -21.9261 -41.7129 -60.0079 17.7901 -20.6226 19.1912 -4.94432 TIMING: 15600 CPU: 46.5676, 0.00294572/step Wall: 46.5676, 0.00294572/step, 4.07852 hours remaining, 196.675781 MB of memory in use. ENERGY: 15600 738.2726 2074.9137 1953.8468 118.5139 -206608.1947 17900.8478 0.0000 0.0000 34234.4732 -149587.3266 298.9782 -183821.7999 -149492.6149 298.2125 -104.7701 -73.2188 559340.4928 -0.4375 -0.5555 PRESSURE: 15800 -22.8477 6.53984 -36.8962 6.53979 48.075 -1.1464 -36.8963 -1.14688 47.7838 GPRESSURE: 15800 -2.6414 43.527 -125.82 -5.23569 73.2569 -1.99768 52.0002 38.2032 96.9607 PRESSAVG: 15800 18.4162 -69.1292 20.0273 -69.1292 19.8894 26.2137 20.0272 26.2137 8.61824 GPRESSAVG: 15800 18.059 -70.7074 16.5751 -71.181 20.0702 25.7917 22.9327 26.2356 8.55736 TIMING: 15800 CPU: 47.164, 0.00298152/step Wall: 47.164, 0.00298152/step, 4.12792 hours remaining, 196.675781 MB of memory in use. ENERGY: 15800 715.9222 2038.0174 1963.6560 121.5618 -206622.4307 17950.5755 0.0000 0.0000 34300.9283 -149531.7696 299.5585 -183832.6979 -149435.3560 298.3502 24.3370 55.8587 556840.1313 15.6413 15.5622 PRESSURE: 16000 -103.876 -116.244 9.08922 -116.244 -125.643 19.061 9.0879 19.0613 -66.659 GPRESSURE: 16000 -72.7021 -120.11 84.2471 -61.6198 -70.0673 23.4885 -9.28536 79.8176 -45.2929 PRESSAVG: 16000 -53.4647 -84.6872 26.0683 -84.6872 -35.2822 93.25 26.0684 93.25 60.1674 GPRESSAVG: 16000 -53.4444 -87.2792 29.0461 -82.0584 -35.4849 93.7156 24.2271 92.1579 60.5894 TIMING: 16000 CPU: 47.7634, 0.00299702/step Wall: 47.7634, 0.00299702/step, 4.1492 hours remaining, 196.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 16000 740.0827 2101.9603 1946.6149 123.0089 -206130.7137 17817.4855 0.0000 0.0000 34063.9978 -149337.5636 297.4894 -183401.5614 -149246.8074 298.4133 -98.7260 -62.6874 558390.3592 -9.5265 -9.4467 PRESSURE: 16200 -109.257 -143.439 50.4673 -143.439 7.10852 -66.7145 50.4662 -66.7146 3.90983 GPRESSURE: 16200 -92.8809 -155.8 -40.3775 -124.476 43.6905 -110.051 61.314 -67.2421 43.9704 PRESSAVG: 16200 -2.83144 -70.748 -8.26885 -70.748 -30.1427 -5.31296 -8.2689 -5.3128 80.898 GPRESSAVG: 16200 -2.99196 -68.0852 -8.77311 -72.6015 -27.8841 -7.96575 -8.54972 -4.02125 79.2434 TIMING: 16200 CPU: 48.3619, 0.00299289/step Wall: 48.3619, 0.00299289/step, 4.14333 hours remaining, 196.675781 MB of memory in use. ENERGY: 16200 746.2240 2081.1322 1944.2806 114.9526 -206484.5663 17917.8664 0.0000 0.0000 34181.5811 -149498.5295 298.5162 -183680.1105 -149400.0924 298.0235 -32.7461 -1.7400 558667.0185 15.9746 16.1224 LDB: ============= START OF LOAD BALANCING ============== 51.909 LDB: ============== END OF LOAD BALANCING =============== 51.9092 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 51.9107 LDB: ============= START OF LOAD BALANCING ============== 52.2065 LDB: Largest compute 4796 load 0.029305 is 24.9% of average load 0.117755 LDB: Average compute 0.001731 is 1.5% of average load 0.117755 LDB: TIME 52.2088 LOAD: AVG 0.117755 MAX 0.206451 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 197.242 MB LDB: TIME 52.2091 LOAD: AVG 0.117755 MAX 0.206451 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.246 MB LDB: TIME 52.2092 LOAD: AVG 0.117755 MAX 0.206451 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.246 MB LDB: ============== END OF LOAD BALANCING =============== 52.211 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 52.215 PRESSURE: 16400 191.823 -56.466 -100.639 -56.466 165.624 -164.988 -100.639 -164.989 79.7061 GPRESSURE: 16400 178.236 -48.2472 -53.9249 -33.741 217.498 -183.55 -69.6569 -187.699 132.871 PRESSAVG: 16400 -2.11154 -42.3797 2.18381 -42.3796 -3.28337 -21.8833 2.18376 -21.8832 8.47354 GPRESSAVG: 16400 -1.83138 -43.1792 0.058698 -41.1829 -4.65205 -20.3711 4.32782 -24.4137 9.37495 TIMING: 16400 CPU: 48.9651, 0.0030157/step Wall: 48.9651, 0.0030157/step, 4.17473 hours remaining, 199.027344 MB of memory in use. ENERGY: 16400 762.2483 2108.1296 1970.4112 129.1808 -206490.3331 17993.8283 0.0000 0.0000 33910.2593 -149616.2756 296.1467 -183526.5349 -149521.3779 298.0244 145.7178 176.2018 556171.1046 1.0262 0.9638 PRESSURE: 16600 -21.745 -72.9344 93.7169 -72.9343 120.78 -19.3703 93.7175 -19.3709 -222.799 GPRESSURE: 16600 -28.3263 -71.636 -19.155 -73.4236 158.137 -104.369 103.225 102.698 -156.259 PRESSAVG: 16600 -39.715 -29.4147 44.319 -29.4147 -11.7824 -66.4438 44.319 -66.4438 72.7119 GPRESSAVG: 16600 -39.1595 -31.1494 47.2219 -29.3882 -12.1173 -66.2724 43.3966 -64.7797 72.6347 TIMING: 16600 CPU: 49.5568, 0.00295844/step Wall: 49.5568, 0.00295844/step, 4.0953 hours remaining, 199.027344 MB of memory in use. ENERGY: 16600 738.3695 2066.4410 1961.3124 107.3221 -206358.5757 17835.1876 0.0000 0.0000 34174.3337 -149475.6093 298.4530 -183649.9431 -149380.0182 298.2978 -41.2547 -8.8162 556964.8904 7.0715 7.1193 PRESSURE: 16800 -158.148 114.729 20.7483 114.729 110.276 9.39503 20.7481 9.39434 -320.07 GPRESSURE: 16800 -164.732 87.725 82.8073 104.713 130.05 29.5194 -56.0585 69.7558 -225.752 PRESSAVG: 16800 28.6617 -62.3408 53.7499 -62.3408 41.1044 -1.22919 53.75 -1.22923 -41.0746 GPRESSAVG: 16800 28.2735 -61.0474 53.3999 -63.5753 41.6314 -0.406729 52.5593 -1.09034 -41.2306 TIMING: 16800 CPU: 50.1583, 0.00300757/step Wall: 50.1583, 0.00300757/step, 4.16314 hours remaining, 199.027344 MB of memory in use. ENERGY: 16800 763.7147 2083.3531 1930.7074 109.5165 -206378.5433 17784.1331 0.0000 0.0000 34134.3345 -149572.7839 298.1036 -183707.1184 -149473.1420 298.7415 -122.6475 -86.8111 557400.7536 9.5638 9.5581 PRESSURE: 17000 165.257 49.0023 43.8883 49.0017 81.7184 11.2899 43.8882 11.2909 -79.2419 GPRESSURE: 17000 197.896 -29.1557 53.4443 -10.4031 101.056 48.0082 29.8562 -101.831 -49.3712 PRESSAVG: 17000 37.5191 -6.88318 -6.74141 -6.88314 13.1711 7.24545 -6.74143 7.24551 -58.3592 GPRESSAVG: 17000 37.1011 -8.12073 -5.9167 -5.52509 13.0564 7.55109 -7.15404 6.92145 -58.5212 TIMING: 17000 CPU: 50.7562, 0.00298945/step Wall: 50.7562, 0.00298945/step, 4.13789 hours remaining, 199.027344 MB of memory in use. ENERGY: 17000 761.8342 2071.2434 1938.7260 112.2146 -206882.1843 18126.7535 0.0000 0.0000 34253.3259 -149618.0867 299.1428 -183871.4126 -149513.5825 298.3504 55.9113 83.1937 557126.8448 -2.5564 -2.7879 PRESSURE: 17200 191.916 153.663 -16.0892 153.661 -181.033 2.71793 -16.0898 2.71661 -40.5345 GPRESSURE: 17200 161.862 78.3618 -43.8406 216.992 -129.835 28.3289 10.0013 6.87669 40.9847 PRESSAVG: 17200 -27.8658 54.2647 -35.3809 54.2647 48.7054 -14.882 -35.3808 -14.8821 -35.1158 GPRESSAVG: 17200 -27.3967 55.7633 -36.6526 54.1114 47.6581 -14.9777 -35.2489 -15.7378 -34.8203 TIMING: 17200 CPU: 51.3514, 0.00297636/step Wall: 51.3514, 0.00297636/step, 4.11962 hours remaining, 199.027344 MB of memory in use. ENERGY: 17200 744.0963 1995.7849 1954.7822 108.5397 -206549.8340 17784.7559 0.0000 0.0000 34465.2608 -149496.6143 300.9937 -183961.8751 -149391.3580 298.8678 -9.8838 24.3372 556682.8625 -4.7587 -4.8530 PRESSURE: 17400 -80.833 139.447 -147.353 139.448 -87.8129 -57.4798 -147.355 -57.4794 -189.507 GPRESSURE: 17400 -62.5966 147.596 -47.5683 163.609 -85.4399 18.2763 -167.277 -76.1473 -117.396 PRESSAVG: 17400 0.17368 19.8712 -47.1455 19.8712 -31.4139 6.18563 -47.1455 6.18549 -5.50435 GPRESSAVG: 17400 -0.749533 20.0968 -46.9561 19.3515 -29.8091 5.54575 -45.8947 8.41376 -5.84489 TIMING: 17400 CPU: 51.9484, 0.00298478/step Wall: 51.9484, 0.00298478/step, 4.1311 hours remaining, 199.027344 MB of memory in use. ENERGY: 17400 731.2479 2064.0647 1945.1719 123.7978 -206081.7245 17706.6064 0.0000 0.0000 34000.2049 -149510.6310 296.9322 -183510.8359 -149412.6843 298.4256 -119.3845 -88.4776 558522.7168 -12.2482 -12.1345 PRESSURE: 17600 111.212 13.212 -26.8937 13.2138 60.637 -148.362 -26.8923 -148.363 233.922 GPRESSURE: 17600 127.005 -130.411 63.0095 22.4861 103.067 -219.059 -132.956 -194.712 279.581 PRESSAVG: 17600 18.4533 78.8601 -11.1002 78.8602 -118.208 -61.6718 -11.1001 -61.6718 31.0878 GPRESSAVG: 17600 20.02 77.5905 -10.6939 80.3062 -119.921 -61.3434 -12.0643 -61.3736 31.5053 TIMING: 17600 CPU: 52.5458, 0.00298709/step Wall: 52.5458, 0.00298709/step, 4.13413 hours remaining, 199.027344 MB of memory in use. ENERGY: 17600 690.1248 2095.2674 1940.0604 102.3583 -206643.9793 18177.0411 0.0000 0.0000 34149.1438 -149489.9836 298.2330 -183639.1274 -149392.2445 298.5469 135.2570 169.8846 558675.0985 -22.8891 -22.7987 PRESSURE: 17800 -232.114 23.2074 174.561 23.2094 127.016 101.517 174.56 101.517 -52.5262 GPRESSURE: 17800 -179.534 -23.9316 118.515 54.7753 152.776 105.187 181.745 58.4503 -42.5896 PRESSAVG: 17800 50.8181 40.6264 16.6649 40.6263 -67.4133 -69.4097 16.6648 -69.4097 29.7112 GPRESSAVG: 17800 51.5103 41.2166 15.2663 40.4652 -66.1716 -71.6763 17.3328 -69.1092 28.4858 TIMING: 17800 CPU: 53.1397, 0.00296953/step Wall: 53.1397, 0.00296953/step, 4.10967 hours remaining, 199.027344 MB of memory in use. ENERGY: 17800 755.3804 2078.2513 1952.6305 119.3893 -206481.6978 17906.2946 0.0000 0.0000 34147.2717 -149522.4800 298.2166 -183669.7517 -149430.9727 298.5474 -52.5414 -23.1159 557593.1761 4.3720 4.6082 PRESSURE: 18000 60.4454 179.814 -41.0934 179.814 16.1174 65.3256 -41.0931 65.3263 -166.311 GPRESSURE: 18000 31.5685 140.742 -93.939 192.891 33.2431 78.9488 -90.7873 6.2737 -66.994 PRESSAVG: 18000 47.902 -6.32883 45.8575 -6.32882 9.09152 10.7957 45.8575 10.7957 -27.6375 GPRESSAVG: 18000 46.2868 -6.71854 47.2456 -5.37154 8.94404 12.9641 46.919 10.2419 -26.0956 TIMING: 18000 CPU: 53.7349, 0.00297589/step Wall: 53.7349, 0.00297589/step, 4.11831 hours remaining, 199.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 18000 717.7390 2054.0869 1919.8747 109.0837 -206470.8710 17763.9039 0.0000 0.0000 34284.6901 -149621.4927 299.4167 -183906.1828 -149522.2350 298.7644 -29.9160 -0.7274 557558.9328 9.7854 9.7117 PRESSURE: 18200 -174.726 126.017 -183.864 126.017 81.2326 38.415 -183.864 38.4131 71.6894 GPRESSURE: 18200 -118.93 127.245 -277.921 145.035 123.72 -12.399 -73.4894 61.5331 70.2658 PRESSAVG: 18200 -35.5879 37.2185 -7.01082 37.2185 4.36408 -24.9424 -7.01101 -24.9423 21.4431 GPRESSAVG: 18200 -35.5142 38.5701 -8.701 34.4879 4.54377 -24.8075 -6.67534 -23.0621 21.6552 TIMING: 18200 CPU: 54.3291, 0.0029711/step Wall: 54.3291, 0.0029711/step, 4.11151 hours remaining, 199.199219 MB of memory in use. ENERGY: 18200 755.8479 2080.2036 1921.0213 105.4695 -206576.0123 18007.9543 0.0000 0.0000 34150.9008 -149554.6149 298.2483 -183705.5156 -149456.7183 298.4187 -7.2682 25.0186 557784.6971 -3.2602 -3.1051 PRESSURE: 18400 -193.911 -23.1232 13.484 -23.1223 -198.539 131.159 13.4834 131.159 44.571 GPRESSURE: 18400 -152.418 47.4464 54.9305 7.31421 -178.324 12.5033 12.9813 218.31 80.2875 PRESSAVG: 18400 4.28085 -9.33161 -31.7311 -9.33167 -25.762 40.4041 -31.731 40.404 24.4407 GPRESSAVG: 18400 7.0721 -9.05707 -29.1043 -8.07243 -25.7083 42.411 -32.662 38.1096 21.5764 TIMING: 18400 CPU: 54.9224, 0.0029663/step Wall: 54.9224, 0.0029663/step, 4.1047 hours remaining, 199.199219 MB of memory in use. ENERGY: 18400 721.8359 2066.4705 1961.1938 116.3206 -205922.1710 17541.7260 0.0000 0.0000 34053.4421 -149461.1821 297.3972 -183514.6242 -149363.9759 298.6014 -115.9600 -83.4849 557263.1942 0.9865 0.9801 PRESSURE: 18600 171.866 -94.3226 13.4205 -94.3225 89.0326 -71.1103 13.4202 -71.1111 -28.2642 GPRESSURE: 18600 189.015 -4.10522 78.9078 -137.08 123.499 -82.8248 -6.02881 -5.23866 20.0145 PRESSAVG: 18600 9.63065 -27.8373 -51.2971 -27.8373 29.1659 -0.520824 -51.2971 -0.520913 -29.7858 GPRESSAVG: 18600 7.93068 -29.1894 -52.2941 -26.9784 28.9337 -2.36937 -51.1275 0.598076 -27.1093 TIMING: 18600 CPU: 55.5248, 0.00301212/step Wall: 55.5248, 0.00301212/step, 4.16794 hours remaining, 199.199219 MB of memory in use. ENERGY: 18600 768.3834 2059.3750 1951.1082 108.9407 -206573.5873 18107.9788 0.0000 0.0000 34280.1254 -149297.6759 299.3769 -183577.8012 -149202.9306 298.7107 77.5449 110.8429 555880.4913 3.0036 3.2517 PRESSURE: 18800 -160.249 -122.663 51.3044 -122.664 -66.1658 153.89 51.3044 153.889 -233.685 GPRESSURE: 18800 -153.096 -199.107 61.1527 -44.1537 10.376 173.571 89.9503 97.1702 -234.2 PRESSAVG: 18800 10.907 -33.7015 -23.2922 -33.7015 45.4854 21.1552 -23.2921 21.1551 -28.833 GPRESSAVG: 18800 10.9939 -34.7318 -22.7604 -33.8874 46.0401 20.3411 -25.1616 20.7171 -29.7974 TIMING: 18800 CPU: 56.1193, 0.0029726/step Wall: 56.1193, 0.0029726/step, 4.11308 hours remaining, 199.199219 MB of memory in use. ENERGY: 18800 742.5299 2054.3067 1931.8562 121.4576 -205742.5315 17532.2838 0.0000 0.0000 34157.3666 -149202.7307 298.3048 -183360.0973 -149108.0950 299.7801 -153.3666 -125.6400 558018.8200 9.1864 9.0789 PRESSURE: 19000 -344.482 231.371 -14.7113 231.369 -8.59064 13.3428 -14.7118 13.3437 8.21044 GPRESSURE: 19000 -368.377 284.58 -29.0499 104.368 93.6598 45.4073 -27.7573 38.2861 28.6021 PRESSAVG: 19000 -32.5043 2.84782 -8.1106 2.84773 -32.5635 47.4339 -8.11059 47.434 57.5882 GPRESSAVG: 19000 -32.6218 3.64375 -6.94045 2.84422 -33.157 50.3141 -6.77054 48.0309 57.9952 TIMING: 19000 CPU: 56.7139, 0.00297271/step Wall: 56.7139, 0.00297271/step, 4.11307 hours remaining, 199.199219 MB of memory in use. ENERGY: 19000 752.3263 2077.8353 1940.6008 125.6725 -206385.9156 17680.9384 0.0000 0.0000 34480.5953 -149327.9471 301.1276 -183808.5424 -149233.3081 299.4115 -114.9540 -82.0382 556815.4073 -2.4932 -2.5945 PRESSURE: 19200 126.624 138.452 115.64 138.453 60.6256 -12.3321 115.639 -12.3325 -260.364 GPRESSURE: 19200 111.039 162.515 7.9918 114.065 133.312 -21.8536 129.31 28.8144 -215.29 PRESSAVG: 19200 -32.1642 18.8057 11.8299 18.8057 -12.982 11.9119 11.8299 11.9118 31.2509 GPRESSAVG: 19200 -33.1906 19.0989 9.10832 19.2744 -12.7087 11.2503 12.7379 10.6718 31.8793 TIMING: 19200 CPU: 57.3082, 0.00297188/step Wall: 57.3082, 0.00297188/step, 4.11176 hours remaining, 199.199219 MB of memory in use. ENERGY: 19200 720.6710 2119.8378 1953.9929 111.7803 -206205.2131 17693.1152 0.0000 0.0000 34276.1918 -149329.6241 299.3425 -183605.8159 -149236.2431 299.2921 -24.3715 9.6870 556515.6139 -4.6318 -4.6734 PRESSURE: 19400 -149.294 61.711 -59.0111 61.711 -156.086 17.3083 -59.0119 17.3083 -95.5515 GPRESSURE: 19400 -193.169 65.7451 -138.742 -2.95623 -97.444 -45.245 14.137 106.419 -16.5742 PRESSAVG: 19400 0.435685 -9.29086 -20.3566 -9.29076 -11.9438 31.5924 -20.3565 31.5924 17.5691 GPRESSAVG: 19400 1.32725 -9.3958 -18.006 -7.48969 -12.1395 30.1634 -19.6618 32.4852 16.8326 TIMING: 19400 CPU: 57.9029, 0.00297319/step Wall: 57.9029, 0.00297319/step, 4.11341 hours remaining, 199.199219 MB of memory in use. ENERGY: 19400 755.0403 2061.8572 1960.8747 119.4819 -205923.1907 17525.8299 0.0000 0.0000 34286.9096 -149213.1971 299.4361 -183500.1067 -149113.7342 299.5001 -133.6436 -102.3956 557473.6791 2.0203 2.0068 PRESSURE: 19600 -259.857 -105.882 -99.4332 -105.882 -52.169 -157.303 -99.4319 -157.303 -194.296 GPRESSURE: 19600 -228.951 -80.6317 -140.8 -112.405 -27.4099 -154.543 -49.5862 -107.441 -155.135 PRESSAVG: 19600 -26.9191 -38.8128 15.161 -38.8128 54.6783 -0.213042 15.1611 -0.213018 -18.3178 GPRESSAVG: 19600 -26.1677 -40.3643 14.408 -37.5848 54.517 2.05386 13.6171 -0.588894 -19.0242 TIMING: 19600 CPU: 58.4998, 0.00298449/step Wall: 58.4998, 0.00298449/step, 4.12887 hours remaining, 199.199219 MB of memory in use. ENERGY: 19600 755.9310 2056.3463 1936.9941 104.8930 -206127.2180 17653.6940 0.0000 0.0000 34459.8111 -149159.5487 300.9461 -183619.3598 -149065.2445 299.6412 -168.7740 -137.1653 558354.5562 3.1472 3.1084 PRESSURE: 19800 127.169 -80.0716 36.4135 -80.0737 152.226 1.88462 36.4145 1.88584 148.388 GPRESSURE: 19800 186.486 -78.6173 76.5853 -84.5197 216.851 -110.44 19.6925 52.9482 136.254 PRESSAVG: 19800 8.30783 -44.5597 22.5465 -44.5596 22.006 -23.3164 22.5466 -23.3164 -32.7295 GPRESSAVG: 19800 8.73305 -42.3867 20.6667 -49.4754 21.039 -25.552 23.5254 -22.842 -31.6343 TIMING: 19800 CPU: 59.0971, 0.00298652/step Wall: 59.0971, 0.00298652/step, 4.13152 hours remaining, 199.199219 MB of memory in use. ENERGY: 19800 727.2362 2064.8910 1943.6658 115.3235 -206257.6226 18007.2393 0.0000 0.0000 34278.9954 -149120.2714 299.3670 -183399.2668 -149019.3420 300.3437 142.5944 179.8637 555935.1012 -0.8052 -0.6207 PRESSURE: 20000 -63.3839 -100.402 -74.8528 -100.402 54.7055 -236.043 -74.8536 -236.042 303.183 GPRESSURE: 20000 -38.3721 -111.131 -89.2371 -48.734 109.319 -217.482 -52.5506 -324.059 324.747 PRESSAVG: 20000 -5.76444 -5.13004 -44.8235 -5.12999 -17.4508 -1.87983 -44.8235 -1.87976 14.3622 GPRESSAVG: 20000 -4.8452 -5.47815 -43.9864 -3.84887 -17.4103 -1.6058 -46.8465 -2.35401 13.9429 TIMING: 20000 CPU: 59.6976, 0.00300247/step Wall: 59.6976, 0.00300247/step, 4.15342 hours remaining, 199.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 20000 777.7857 2089.7516 1932.2720 109.8721 -206232.3175 17948.3552 0.0000 0.0000 34342.9700 -149031.3110 299.9257 -183374.2810 -148935.4938 300.3539 98.1682 131.8981 555782.2467 -2.9510 -2.7708 PRESSURE: 20200 -121.105 92.4669 2.31222 92.4666 -54.1335 -138.668 2.31285 -138.669 -78.113 GPRESSURE: 20200 -48.6184 125.011 12.6376 -2.1084 1.34867 -148.863 -54.8465 -82.6039 -115.079 PRESSAVG: 20200 8.03307 -3.72682 -41.3541 -3.72677 27.754 -24.0234 -41.354 -24.0234 25.689 GPRESSAVG: 20200 7.06119 -3.32114 -41.5363 -3.56209 29.0404 -25.2455 -39.0058 -22.2488 24.9198 TIMING: 20200 CPU: 60.2926, 0.00297489/step Wall: 60.2925, 0.00297489/step, 4.11511 hours remaining, 199.199219 MB of memory in use. ENERGY: 20200 759.4516 2089.2668 1919.6259 110.0800 -205941.8265 17716.4764 0.0000 0.0000 34340.3206 -149006.6052 299.9026 -183346.9258 -148903.9140 299.6967 -84.4504 -54.1163 558149.8790 20.4920 20.3405 LDB: ============= START OF LOAD BALANCING ============== 63.8428 LDB: ============== END OF LOAD BALANCING =============== 63.843 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 63.8446 LDB: ============= START OF LOAD BALANCING ============== 64.144 LDB: Largest compute 4796 load 0.028492 is 24.2% of average load 0.117731 LDB: Average compute 0.001736 is 1.5% of average load 0.117731 LDB: TIME 64.1464 LOAD: AVG 0.117731 MAX 0.207223 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 199.391 MB LDB: TIME 64.1467 LOAD: AVG 0.117731 MAX 0.207223 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.391 MB LDB: TIME 64.1468 LOAD: AVG 0.117731 MAX 0.207223 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.391 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 64.1486 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 64.1526 PRESSURE: 20400 -139.531 -83.1049 57.3583 -83.1062 -2.12535 -110.371 57.3572 -110.37 135.797 GPRESSURE: 20400 -116.018 -144.29 111.783 -15.0626 42.9797 -46.0457 15.8176 -80.6601 166.139 PRESSAVG: 20400 10.9245 -9.9023 -31.9316 -9.90231 -14.0952 -5.30294 -31.9316 -5.30292 16.6479 GPRESSAVG: 20400 10.7861 -10.7167 -31.5543 -9.5166 -13.7073 -3.10653 -33.4573 -7.68481 16.3214 TIMING: 20400 CPU: 60.9026, 0.00305035/step Wall: 60.9026, 0.00305035/step, 4.21932 hours remaining, 199.437500 MB of memory in use. ENERGY: 20400 750.2481 2079.3638 1944.0068 132.9845 -206184.5598 17870.7198 0.0000 0.0000 34418.1847 -148989.0521 300.5826 -183407.2368 -148893.4238 300.1734 -1.9532 31.0337 556665.0398 4.4924 4.4667 PRESSURE: 20600 -249.019 10.2396 126.597 10.2393 -0.821869 73.0492 126.596 73.0502 -205.664 GPRESSURE: 20600 -209.429 104.842 84.0873 0.443748 -61.187 111.254 186.156 18.6368 -94.4594 PRESSAVG: 20600 -25.0975 -82.3675 -15.4032 -82.3675 -16.2763 -2.47211 -15.4033 -2.47209 19.5996 GPRESSAVG: 20600 -25.8507 -82.1308 -15.2646 -82.0322 -17.0426 -1.55904 -15.5835 -0.32834 21.1339 TIMING: 20600 CPU: 61.5046, 0.00300966/step Wall: 61.5046, 0.00300966/step, 4.16286 hours remaining, 199.632812 MB of memory in use. ENERGY: 20600 768.7162 2071.7949 1950.5694 111.2044 -205576.7242 17463.6115 0.0000 0.0000 34166.8888 -149043.9390 298.3879 -183210.8278 -148948.3497 299.6922 -151.8349 -121.6917 558271.5448 -7.2581 -7.2531 PRESSURE: 20800 -22.0011 72.5024 -154.708 72.5024 51.5992 184.317 -154.708 184.318 281.715 GPRESSURE: 20800 10.1211 43.8331 -199.852 25.2885 78.4155 159.199 -156.508 152.442 305.542 PRESSAVG: 20800 -37.0723 -4.51719 -72.082 -4.51729 -56.837 -24.3264 -72.082 -24.3264 86.1093 GPRESSAVG: 20800 -36.9597 -3.83924 -72.052 -3.73564 -58.2588 -26.1998 -72.5488 -27.2699 87.6017 TIMING: 20800 CPU: 62.0994, 0.00297441/step Wall: 62.0994, 0.00297441/step, 4.11394 hours remaining, 199.632812 MB of memory in use. ENERGY: 20800 771.7497 2143.0652 1936.7192 125.4561 -206303.4586 17966.8046 0.0000 0.0000 34264.6570 -149095.0068 299.2418 -183359.6638 -148999.6327 299.4384 103.7709 131.3595 556944.7173 -2.6000 -2.5389 PRESSURE: 21000 96.3173 -133.274 65.1741 -133.275 202.395 217.075 65.173 217.076 171.197 GPRESSURE: 21000 204.744 -110.673 36.8508 -114.806 205.981 186.215 60.1537 224.444 167.996 PRESSAVG: 21000 16.4234 -3.93994 -19.1231 -3.93999 -69.6561 -8.74118 -19.1231 -8.74111 68.9972 GPRESSAVG: 21000 16.6865 -3.23534 -19.6506 -4.55043 -68.5214 -8.32602 -19.7478 -6.03681 67.4858 TIMING: 21000 CPU: 62.6943, 0.00297415/step Wall: 62.6943, 0.00297415/step, 4.11341 hours remaining, 199.632812 MB of memory in use. ENERGY: 21000 739.2633 2067.2995 1961.8358 112.6622 -206618.3334 18236.0301 0.0000 0.0000 34268.2679 -149232.9746 299.2733 -183501.2425 -149141.0204 299.6453 156.6364 192.9071 557145.8061 5.2549 5.2169 PRESSURE: 21200 155.722 75.603 -108.336 75.6031 122.959 95.6975 -108.339 95.6966 -21.3758 GPRESSURE: 21200 179.669 62.7153 -189.665 30.168 169.94 76.9942 -23.9005 105.49 16.5357 PRESSAVG: 21200 -20.4819 -5.50289 0.935707 -5.50289 55.5642 54.3627 0.935722 54.3628 -58.2552 GPRESSAVG: 21200 -20.7815 -5.54464 0.595448 -4.88822 56.0232 55.7097 1.13247 52.2872 -58.4218 TIMING: 21200 CPU: 63.2903, 0.00298018/step Wall: 63.2903, 0.00298018/step, 4.12159 hours remaining, 199.632812 MB of memory in use. ENERGY: 21200 737.0447 2097.1157 1964.7235 104.9839 -206581.8388 18150.8284 0.0000 0.0000 34376.9580 -149150.1847 300.2225 -183527.1427 -149057.3318 299.1208 85.7684 122.0480 558889.6839 -7.7243 -7.7267 PRESSURE: 21400 47.1392 -131.908 142.999 -131.909 -93.2455 -104.762 142.999 -104.762 -336.669 GPRESSURE: 21400 33.0216 -185.642 159.482 -35.9339 12.0035 -83.3768 127.248 3.98737 -327.31 PRESSAVG: 21400 -24.1702 12.6283 -0.134586 12.6283 15.245 21.6948 -0.13464 21.6947 8.03232 GPRESSAVG: 21400 -24.1622 14.4708 -0.981968 13.8297 14.4165 19.2408 1.01987 23.0439 8.81853 TIMING: 21400 CPU: 63.8823, 0.00295992/step Wall: 63.8823, 0.00295992/step, 4.09341 hours remaining, 199.632812 MB of memory in use. ENERGY: 21400 769.9767 2114.4246 1962.5892 111.0903 -205867.0052 17719.8313 0.0000 0.0000 34142.6008 -149046.4923 298.1758 -183189.0931 -148946.0208 299.0825 -127.5919 -94.0949 558543.9993 -0.2976 -0.3091 PRESSURE: 21600 -118.914 114.354 29.5164 114.354 19.0591 -22.9031 29.5173 -22.9033 -63.3256 GPRESSURE: 21600 -74.5569 145.087 -3.71735 65.7033 42.918 -19.2674 -4.44473 -32.6255 -38.9953 PRESSAVG: 21600 -39.956 -26.0025 14.0149 -26.0023 13.9532 -19.1255 14.0149 -19.1255 10.8427 GPRESSAVG: 21600 -40.7628 -27.9562 14.7072 -26.4545 14.6268 -17.885 12.7649 -18.9745 11.4795 TIMING: 21600 CPU: 64.4809, 0.00299325/step Wall: 64.4809, 0.00299325/step, 4.13934 hours remaining, 199.632812 MB of memory in use. ENERGY: 21600 729.9484 2118.7776 1953.1854 96.4643 -205849.4676 17737.7919 0.0000 0.0000 34052.2475 -149161.0524 297.3867 -183213.3000 -149066.2184 299.2397 -54.3935 -23.5447 559539.5079 -5.0534 -4.8855 PRESSURE: 21800 231.084 -76.3714 40.6596 -76.371 144.367 -83.4297 40.6594 -83.43 122.227 GPRESSURE: 21800 245.141 -132.705 0.704597 27.019 181.483 -90.8792 108.826 -71.4286 173.941 PRESSAVG: 21800 -39.5694 3.62134 -6.79036 3.62127 -10.7056 -38.5581 -6.79041 -38.5581 50.0509 GPRESSAVG: 21800 -37.8196 4.43427 -7.36691 3.62628 -10.8565 -39.2852 -3.54234 -38.4963 49.0297 TIMING: 21800 CPU: 65.0785, 0.00298768/step Wall: 65.0785, 0.00298768/step, 4.13146 hours remaining, 199.632812 MB of memory in use. ENERGY: 21800 729.6457 2101.0497 1946.7350 108.9450 -206239.2392 17939.0908 0.0000 0.0000 34111.1518 -149302.6212 297.9012 -183413.7730 -149205.4829 298.8928 165.8928 200.1882 557427.4676 -0.0747 0.1179 PRESSURE: 22000 -189.418 176.095 -116.517 176.094 -34.8913 38.3735 -116.516 38.3748 -158.636 GPRESSURE: 22000 -142.716 133.15 -24.2197 205.707 -11.5082 -1.31037 -125.211 31.3068 -121.114 PRESSAVG: 22000 -43.4932 49.9173 -93.1567 49.9174 -22.5609 -1.37229 -93.1568 -1.37238 33.3789 GPRESSAVG: 22000 -44.7184 47.4787 -92.2939 52.0167 -21.1619 -2.77922 -95.2396 -0.251942 33.5717 TIMING: 22000 CPU: 65.6699, 0.00295712/step Wall: 65.6699, 0.00295712/step, 4.08903 hours remaining, 199.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 22000 724.3002 2058.8167 1952.2116 108.1939 -206126.5601 17782.1074 0.0000 0.0000 34289.7069 -149211.2233 299.4605 -183500.9302 -149111.4185 299.6807 -127.6484 -91.7794 558232.4076 -10.8917 -10.7695 PRESSURE: 22200 -231.503 -34.1947 -82.7661 -34.1939 33.9139 63.9337 -82.7652 63.9348 -83.6338 GPRESSURE: 22200 -208.803 5.18688 -55.9277 -87.6592 50.4214 110.338 -76.5227 71.5523 -23.9885 PRESSAVG: 22200 -57.0114 -9.18021 -67.5498 -9.18011 -34.9206 71.5075 -67.5498 71.5074 41.3273 GPRESSAVG: 22200 -56.4284 -5.77162 -67.2214 -11.9228 -35.9226 74.3453 -69.2112 70.0291 42.0666 TIMING: 22200 CPU: 66.2682, 0.00299146/step Wall: 66.2682, 0.00299146/step, 4.13636 hours remaining, 199.632812 MB of memory in use. ENERGY: 22200 722.2182 2093.7685 1936.5155 116.1016 -206092.2300 17749.4460 0.0000 0.0000 34322.4554 -149151.7248 299.7465 -183474.1802 -149056.1518 299.2003 -93.7409 -60.7899 559011.8781 -16.8682 -16.7615 PRESSURE: 22400 -411.936 10.9278 -2.09773 10.9265 -217.336 17.8136 -2.09856 17.8124 -338.676 GPRESSURE: 22400 -337.381 17.5676 35.4126 -47.9837 -164.466 39.9516 -34.16 42.4899 -361.888 PRESSAVG: 22400 -3.68365 -35.8031 -25.9386 -35.8033 3.00395 18.9107 -25.9386 18.9107 -26.8032 GPRESSAVG: 22400 -3.30786 -37.5655 -25.8834 -33.6274 3.752 18.5409 -23.6084 17.3958 -28.1227 TIMING: 22400 CPU: 66.8636, 0.00297699/step Wall: 66.8636, 0.00297698/step, 4.11618 hours remaining, 199.632812 MB of memory in use. ENERGY: 22400 790.9490 2092.7602 1930.7334 110.1605 -205932.3759 17401.1303 0.0000 0.0000 34474.2956 -149132.3469 301.0726 -183606.6425 -149038.4408 299.5830 -322.6494 -287.9116 558375.8291 -9.1610 -9.2262 PRESSURE: 22600 -165.695 -100 -120.634 -99.9999 -97.5997 -85.3282 -120.634 -85.3296 17.6952 GPRESSURE: 22600 -162.504 -12.196 -70.9367 -175.896 -27.3779 -107.465 -111.261 -32.0784 35.9099 PRESSAVG: 22600 -20.2465 4.05664 17.1581 4.05664 -11.8338 8.55327 17.1581 8.55321 84.3039 GPRESSAVG: 22600 -21.3978 3.63233 17.5192 5.48219 -10.2503 7.18365 17.0819 10.181 84.0244 TIMING: 22600 CPU: 67.4595, 0.0029795/step Wall: 67.4595, 0.0029795/step, 4.11949 hours remaining, 199.632812 MB of memory in use. ENERGY: 22600 744.6014 2083.5418 1910.3322 107.2340 -205859.8353 17686.6490 0.0000 0.0000 34312.9667 -149014.5102 299.6637 -183327.4769 -148909.4123 299.7280 -81.8666 -51.3240 558456.5271 17.4079 17.4588 PRESSURE: 22800 -171.078 -73.5702 -85.4943 -73.5691 -460.577 -14.6645 -85.4943 -14.6657 -242.398 GPRESSURE: 22800 -132.124 -56.3248 -13.0344 -66.2246 -406.894 -33.2652 -34.7696 -51.6281 -230.836 PRESSAVG: 22800 6.01967 30.2719 21.2823 30.272 -4.76437 -8.78362 21.2824 -8.78358 -20.9077 GPRESSAVG: 22800 6.1046 30.7124 22.0546 29.8328 -5.94792 -7.20142 21.1083 -8.79993 -19.4976 TIMING: 22800 CPU: 68.0503, 0.00295399/step Wall: 68.0503, 0.00295399/step, 4.08406 hours remaining, 199.875000 MB of memory in use. ENERGY: 22800 741.7674 2101.4773 1929.0244 109.6688 -205512.3000 17248.1611 0.0000 0.0000 34254.3695 -149127.8315 299.1519 -183382.2010 -149032.8937 299.7838 -291.3510 -256.6182 558921.6398 -6.5508 -6.4470 PRESSURE: 23000 -127.308 159.61 -6.98337 159.609 82.842 -190.779 -6.98372 -190.781 261.058 GPRESSURE: 23000 -48.0661 205.299 -0.729718 179.842 132.563 -171.246 -81.5088 -183.383 234.543 PRESSAVG: 23000 -5.04754 -38.5045 -41.1592 -38.5045 59.1951 -22.3216 -41.1592 -22.3216 -4.05687 GPRESSAVG: 23000 -4.17527 -38.6245 -42.8165 -38.3159 59.4905 -22.9398 -39.8043 -21.9554 -5.16789 TIMING: 23000 CPU: 68.6449, 0.00297321/step Wall: 68.6449, 0.00297321/step, 4.11047 hours remaining, 199.875000 MB of memory in use. ENERGY: 23000 742.7722 2063.9517 1939.1235 116.4397 -206294.6363 17959.9231 0.0000 0.0000 34201.5113 -149270.9149 298.6903 -183472.4262 -149174.9940 299.7387 72.1975 106.3466 557343.4527 16.6969 16.7158 PRESSURE: 23200 -334.459 -30.3316 -2.67725 -30.3327 -320.084 -47.7261 -2.67641 -47.7261 -100.091 GPRESSURE: 23200 -384.395 -42.5468 11.6805 -48.5872 -306.081 -3.75742 -40.2666 17.9143 48.914 PRESSAVG: 23200 -53.1323 -26.4874 -27.4086 -26.4874 2.06617 15.9903 -27.4086 15.9903 19.1944 GPRESSAVG: 23200 -53.5662 -26.0583 -27.7417 -27.4042 1.92753 17.5945 -26.7553 16.826 20.1762 TIMING: 23200 CPU: 69.2415, 0.00298267/step Wall: 69.2415, 0.00298267/step, 4.12337 hours remaining, 199.875000 MB of memory in use. ENERGY: 23200 780.7354 2075.0137 1931.5195 133.8644 -205909.1673 17370.2353 0.0000 0.0000 34201.4311 -149416.3679 298.6896 -183617.7990 -149320.0660 298.4936 -251.5446 -213.8541 557188.4518 -10.6239 -10.4875 PRESSURE: 23400 -64.5025 59.4544 -19.1339 59.4553 46.8303 -118.942 -19.133 -118.943 14.5911 GPRESSURE: 23400 -16.2409 69.2186 -56.4955 30.4593 19.7862 -195.19 44.8878 -67.4119 88.3734 PRESSAVG: 23400 29.916 47.0722 -42.5453 47.0721 -38.4058 17.453 -42.5453 17.453 -9.4223 GPRESSAVG: 23400 29.0472 47.1636 -42.3791 45.6355 -36.8364 15.4489 -42.082 17.3384 -10.0415 TIMING: 23400 CPU: 69.8339, 0.00296196/step Wall: 69.8339, 0.00296196/step, 4.09458 hours remaining, 199.875000 MB of memory in use. ENERGY: 23400 746.0926 2041.5350 1963.8893 107.4673 -206471.8560 17855.3789 0.0000 0.0000 34321.3034 -149436.1895 299.7365 -183757.4929 -149339.7728 298.7973 -1.0271 30.6396 556077.8609 -5.9707 -5.9436 PRESSURE: 23600 -51.0496 17.3424 73.1529 17.3432 -17.7684 50.6218 73.153 50.6223 -333.534 GPRESSURE: 23600 43.7335 12.4799 59.3901 78.4035 -38.7151 80.7179 24.5505 -5.46719 -315.483 PRESSAVG: 23600 38.0029 -50.7083 -19.3769 -50.7082 21.5587 17.2064 -19.377 17.2062 -55.9938 GPRESSAVG: 23600 39.4794 -51.4348 -18.7606 -48.3505 20.443 18.7375 -20.6727 16.5966 -56.7229 TIMING: 23600 CPU: 70.4294, 0.00297773/step Wall: 70.4294, 0.00297773/step, 4.11621 hours remaining, 199.875000 MB of memory in use. ENERGY: 23600 730.7737 2050.4311 1926.4846 96.9020 -206020.8194 17459.5991 0.0000 0.0000 34191.6640 -149564.9650 298.6043 -183756.6290 -149463.0046 298.1005 -134.1174 -103.4880 556362.1500 1.1893 1.0665 PRESSURE: 23800 173.979 53.6787 111.488 53.6782 -106.893 64.8546 111.489 64.8535 120.746 GPRESSURE: 23800 157.18 -41.1571 109.004 1.83109 -37.2464 -14.4296 117.887 112.768 168.922 PRESSAVG: 23800 -3.92175 17.284 -57.9757 17.284 5.76498 53.3988 -57.9758 53.3987 -23.8626 GPRESSAVG: 23800 -3.87604 18.1949 -57.4071 17.3952 6.49649 50.1947 -58.398 54.9257 -24.4093 TIMING: 23800 CPU: 71.0245, 0.00297554/step Wall: 71.0245, 0.00297554/step, 4.11303 hours remaining, 199.875000 MB of memory in use. ENERGY: 23800 708.0884 2047.3757 1911.0684 110.9846 -206549.4629 17926.2386 0.0000 0.0000 34296.0284 -149549.6789 299.5157 -183845.7072 -149455.2653 298.4182 62.6106 96.2850 557003.8011 -7.3398 -7.2630 PRESSURE: 24000 -534.763 -31.5783 73.8627 -31.5789 -255.663 64.1827 73.8615 64.1823 89.5987 GPRESSURE: 24000 -564.591 9.1596 114.198 1.69073 -187.243 42.9106 -25.436 36.2095 147.173 PRESSAVG: 24000 -6.848 -72.9757 5.79004 -72.9757 -17.2651 21.8926 5.78989 21.8926 43.0214 GPRESSAVG: 24000 -7.73898 -73.4511 5.15072 -74.2445 -17.2511 25.1197 6.00265 19.0178 44.1193 TIMING: 24000 CPU: 71.6292, 0.00302342/step Wall: 71.6292, 0.00302342/step, 4.17903 hours remaining, 199.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 24000 812.1087 2101.3296 1948.3194 105.8075 -206209.5548 17517.7542 0.0000 0.0000 34191.3012 -149532.9342 298.6011 -183724.2354 -149441.0835 298.5478 -233.6089 -201.5537 558055.8567 6.3028 6.3764 PRESSURE: 24200 -71.0016 4.76006 -164.974 4.7613 -38.9514 210.517 -164.973 210.517 117.505 GPRESSURE: 24200 21.1526 -45.9577 -123.216 41.8939 19.4746 220.726 -164.961 150.086 61.7326 PRESSAVG: 24200 -20.1512 -23.308 -11.7375 -23.308 42.7384 -12.4395 -11.7375 -12.4395 -21.6961 GPRESSAVG: 24200 -20.3201 -23.2172 -12.1703 -22.5568 42.3962 -12.1483 -9.61274 -14.1977 -21.4543 TIMING: 24200 CPU: 72.2222, 0.00296494/step Wall: 72.2222, 0.00296494/step, 4.09804 hours remaining, 199.875000 MB of memory in use. ENERGY: 24200 710.3993 2098.2516 1939.9665 101.3166 -206345.9120 17912.6931 0.0000 0.0000 34202.1167 -149381.1682 298.6956 -183583.2848 -149278.2699 299.7798 2.5172 34.1200 557821.1408 0.2970 0.2073 LDB: ============= START OF LOAD BALANCING ============== 75.7743 LDB: ============== END OF LOAD BALANCING =============== 75.7744 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 75.776 LDB: ============= START OF LOAD BALANCING ============== 76.0755 LDB: Largest compute 4796 load 0.028830 is 24.5% of average load 0.117758 LDB: Average compute 0.001740 is 1.5% of average load 0.117758 LDB: TIME 76.0778 LOAD: AVG 0.117758 MAX 0.206735 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 200.793 MB LDB: TIME 76.0781 LOAD: AVG 0.117758 MAX 0.206735 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.992 MB LDB: TIME 76.0782 LOAD: AVG 0.117758 MAX 0.206735 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.992 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 76.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 76.0841 PRESSURE: 24400 44.0885 36.9409 -16.2882 36.9403 -46.9733 0.573206 -16.2878 0.573287 -161.877 GPRESSURE: 24400 50.6823 22.2555 75.5216 35.6723 -18.9887 39.4941 -78.8756 4.34478 -88.2734 PRESSAVG: 24400 14.5156 35.9121 5.94648 35.9121 45.781 40.3555 5.9465 40.3553 -33.2401 GPRESSAVG: 24400 15.3902 34.9155 4.96022 35.6407 44.4604 38.3729 6.40689 44.7669 -32.9835 TIMING: 24400 CPU: 72.834, 0.00305892/step Wall: 72.834, 0.00305892/step, 4.22777 hours remaining, 199.828125 MB of memory in use. ENERGY: 24400 739.4861 2086.4085 1955.9373 99.3350 -206565.6670 17835.2097 0.0000 0.0000 34355.4693 -149493.8211 300.0349 -183849.2904 -149397.0281 299.0997 -54.9207 -18.8599 556123.5663 9.0188 8.9557 PRESSURE: 24600 96.1514 -96.876 41.3651 -96.8767 5.09869 80.8854 41.3644 80.8847 211.087 GPRESSURE: 24600 112.874 -141.904 -5.66543 -103.042 47.5945 22.9338 13.5107 202.029 234.836 PRESSAVG: 24600 1.59097 2.52829 -18.1094 2.52824 29.4111 32.6928 -18.1093 32.6928 21.6277 GPRESSAVG: 24600 0.197698 3.93029 -16.0948 3.05859 30.8089 35.1951 -19.9126 32.6813 21.2559 TIMING: 24600 CPU: 73.4351, 0.00300572/step Wall: 73.4351, 0.00300572/step, 4.15407 hours remaining, 199.828125 MB of memory in use. ENERGY: 24600 713.5592 2006.9192 1924.8363 115.0261 -206533.8882 17925.3813 0.0000 0.0000 34398.1798 -149449.9863 300.4079 -183848.1661 -149349.7495 299.2998 104.1125 131.7681 555455.5758 17.5432 17.4208 PRESSURE: 24800 -306.921 15.5907 -12.055 15.5907 -110.977 96.2577 -12.0549 96.2581 -39.7228 GPRESSURE: 24800 -255.625 -3.21557 -59.7636 -50.3788 -86.3286 67.5337 -16.7666 147.573 -14.1071 PRESSAVG: 24800 -50.045 -14.4878 -11.0331 -14.4878 7.42418 93.7994 -11.0332 93.7994 51.6981 GPRESSAVG: 24800 -49.6662 -15.7023 -10.6292 -15.4509 6.79259 91.7301 -10.4972 93.4444 52.5889 TIMING: 24800 CPU: 74.0363, 0.00300596/step Wall: 74.0363, 0.00300596/step, 4.15424 hours remaining, 199.828125 MB of memory in use. ENERGY: 24800 735.5568 2015.0000 1949.6778 104.7115 -206015.6381 17437.5811 0.0000 0.0000 34451.4439 -149321.6669 300.8730 -183773.1109 -149225.1230 299.5095 -152.5403 -118.6868 556491.4618 3.0258 3.2384 PRESSURE: 25000 10.9517 -59.1717 -63.2425 -59.1711 -226.451 -21.6979 -63.2434 -21.698 229.23 GPRESSURE: 25000 35.6618 12.2957 -72.0092 -58.751 -167.925 -7.2419 25.8674 21.273 237.904 PRESSAVG: 25000 4.71332 -13.7508 14.7932 -13.7509 12.1963 9.15706 14.7932 9.15696 4.02998 GPRESSAVG: 25000 4.97094 -13.0218 13.6728 -12.7432 11.5573 9.53153 15.1585 9.18266 4.01532 TIMING: 25000 CPU: 74.6398, 0.00301729/step Wall: 74.6398, 0.00301729/step, 4.16972 hours remaining, 199.828125 MB of memory in use. ENERGY: 25000 721.4785 2063.5545 1949.0107 122.2667 -206066.2916 17611.4748 0.0000 0.0000 34114.8661 -149483.6403 297.9336 -183598.5065 -149387.1345 298.9773 4.5767 35.2135 556548.4003 6.9799 6.8479 PRESSURE: 25200 -202.257 -68.3438 -81.7208 -68.3448 -204.374 -126.994 -81.7196 -126.996 75.8742 GPRESSURE: 25200 -168.202 -101.214 -45.9721 -22.1533 -137.692 -122.856 -96.8367 -56.4641 63.2737 PRESSAVG: 25200 10.3925 -13.3255 11.2982 -13.3255 -32.8232 -17.5005 11.2982 -17.5004 -14.3698 GPRESSAVG: 25200 12.2596 -12.8019 11.666 -13.2502 -33.5602 -16.0781 11.2718 -17.2991 -15.6264 TIMING: 25200 CPU: 75.2402, 0.00300226/step Wall: 75.2402, 0.00300226/step, 4.14879 hours remaining, 199.828125 MB of memory in use. ENERGY: 25200 717.4659 2073.3077 1955.2593 118.7060 -206142.5058 17532.4960 0.0000 0.0000 34346.5218 -149398.7489 299.9567 -183745.2707 -149306.2303 298.8495 -110.2523 -80.8733 556172.6733 -12.2668 -12.3090 PRESSURE: 25400 -68.0193 -22.9049 -6.15909 -22.9035 -136.547 23.7406 -6.15908 23.7388 -274.923 GPRESSURE: 25400 -78.8121 -4.27622 -68.8548 -75.0773 -143.843 -60.8839 80.1946 69.4355 -150.162 PRESSAVG: 25400 19.3517 -49.3463 -33.3556 -49.3464 -8.58681 -22.0181 -33.3556 -22.0181 35.0692 GPRESSAVG: 25400 15.4118 -49.324 -35.6949 -49.4457 -6.22028 -25.2624 -32.8519 -21.1571 36.5999 TIMING: 25400 CPU: 75.8426, 0.00301181/step Wall: 75.8426, 0.00301181/step, 4.16182 hours remaining, 199.828125 MB of memory in use. ENERGY: 25400 721.9729 2091.6271 1946.8212 124.5065 -206033.2610 17534.8836 0.0000 0.0000 34110.5799 -149502.8699 297.8962 -183613.4498 -149412.4406 298.5301 -159.8299 -124.2723 555888.7077 15.2780 15.2638 PRESSURE: 25600 -35.7175 -12.2325 -14.9492 -12.2319 118.418 83.3849 -14.9485 83.3851 167.533 GPRESSURE: 25600 -25.0388 30.3954 10.0679 -64.0235 171.475 48.7055 -17.0431 100.031 201.065 PRESSAVG: 25600 5.56388 -51.4602 -48.01 -51.4601 14.0687 -53.3209 -48.01 -53.3208 2.46681 GPRESSAVG: 25600 8.3371 -50.2331 -45.1156 -52.282 13.213 -51.7224 -49.5034 -55.6816 1.49468 TIMING: 25600 CPU: 76.4399, 0.00298657/step Wall: 76.4399, 0.00298657/step, 4.12678 hours remaining, 199.828125 MB of memory in use. ENERGY: 25600 723.0095 2067.2105 1963.2987 103.7101 -206414.2499 17796.7527 0.0000 0.0000 34350.6247 -149409.6436 299.9925 -183760.2684 -149319.3552 298.7273 83.4112 115.8338 555782.9078 7.3665 7.6816 PRESSURE: 25800 -263.752 128.881 -36.8458 128.88 -291.43 -94.8282 -36.848 -94.8291 -285.467 GPRESSURE: 25800 -191.203 76.9905 12.1704 173.938 -307.045 -96.4478 -6.34641 -96.0902 -262.2 PRESSAVG: 25800 42.6263 -8.27856 -11.7576 -8.27851 12.6423 -48.2516 -11.7576 -48.2515 -38.8791 GPRESSAVG: 25800 42.4581 -9.45811 -12.3392 -5.96576 12.5834 -48.4047 -10.6043 -45.5491 -38.5022 TIMING: 25800 CPU: 77.0377, 0.00298924/step Wall: 77.0377, 0.00298924/step, 4.13029 hours remaining, 199.828125 MB of memory in use. ENERGY: 25800 725.6697 2085.9982 1916.8628 117.3832 -206083.7587 17579.9210 0.0000 0.0000 34213.1489 -149444.7749 298.7919 -183657.9238 -149342.5058 299.5527 -280.2162 -253.4827 557565.8996 5.4631 5.5131 PRESSURE: 26000 -106.701 187.163 98.4839 187.162 -211.656 -99.3891 98.4844 -99.3896 -28.6243 GPRESSURE: 26000 -37.5765 177.006 65.8973 129.078 -211.217 -84.2842 146.625 -74.2601 0.149431 PRESSAVG: 26000 24.8152 -30.4919 19.5099 -30.4919 -24.0107 -7.2769 19.51 -7.277 -29.3208 GPRESSAVG: 26000 25.4877 -30.9719 18.311 -32.1741 -23.7625 -6.78225 19.9745 -11.0546 -29.8209 TIMING: 26000 CPU: 77.6318, 0.00297022/step Wall: 77.6318, 0.00297022/step, 4.10385 hours remaining, 199.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 26000 753.9298 2033.8087 1917.3796 101.2237 -206113.0293 17577.2134 0.0000 0.0000 34304.7816 -149424.6925 299.5922 -183729.4741 -149327.1645 298.8114 -115.6604 -82.8814 556107.3898 -9.5054 -9.3653 PRESSURE: 26200 121.207 22.7147 16.541 22.7155 132.056 3.90464 16.5417 3.90485 223.337 GPRESSURE: 26200 154.766 20.3366 -16.5114 40.2838 149.422 -32.6156 98.7502 37.9691 271.476 PRESSAVG: 26200 39.2376 7.57459 -13.4297 7.57456 -37.6106 -52.7456 -13.4298 -52.7456 -46.0279 GPRESSAVG: 26200 37.5932 7.66721 -13.1294 8.8721 -36.9298 -52.3312 -16.0768 -49.4209 -45.078 TIMING: 26200 CPU: 78.2246, 0.00296418/step Wall: 78.2246, 0.00296418/step, 4.09534 hours remaining, 199.828125 MB of memory in use. ENERGY: 26200 719.9911 2081.8877 1945.3815 108.4994 -206456.5629 18076.5420 0.0000 0.0000 34011.7420 -149512.5192 297.0330 -183524.2612 -149418.7217 298.5090 158.8667 191.8879 556416.4945 -14.8003 -14.8049 PRESSURE: 26400 148.632 123.263 35.127 123.264 153.081 -85.5502 35.1274 -85.5508 214.624 GPRESSURE: 26400 179.764 126.803 47.5871 108.993 196.514 -72.4318 25.43 -103.916 236.631 PRESSAVG: 26400 6.77947 -19.0451 -43.8811 -19.0451 -21.7788 4.99743 -43.881 4.99736 -19.1091 GPRESSAVG: 26400 6.62739 -20.6476 -43.9922 -19.5407 -22.2227 6.05585 -42.9006 2.6114 -18.5662 TIMING: 26400 CPU: 78.8206, 0.00298011/step Wall: 78.8206, 0.00298011/step, 4.11718 hours remaining, 199.828125 MB of memory in use. ENERGY: 26400 731.8379 2078.0996 1933.5065 107.6159 -206363.9918 17984.9285 0.0000 0.0000 34160.2026 -149367.8008 298.3295 -183528.0034 -149275.1201 297.8448 172.1122 204.3027 557456.8058 -11.3695 -11.3872 PRESSURE: 26600 -196.354 52.0368 74.1909 52.036 355.525 21.4628 74.1909 21.4624 -55.8163 GPRESSURE: 26600 -134.305 145.522 61.2344 57.123 371.811 55.0859 67.3329 42.9787 -38.8961 PRESSAVG: 26600 55.9795 66.6875 10.1344 66.6876 -23.7163 -36.0654 10.1343 -36.0655 -60.8577 GPRESSAVG: 26600 57.4859 67.5248 9.95471 66.812 -23.6056 -37.3833 9.95125 -33.6081 -61.9752 TIMING: 26600 CPU: 79.414, 0.00296683/step Wall: 79.414, 0.00296683/step, 4.09868 hours remaining, 199.828125 MB of memory in use. ENERGY: 26600 718.1446 2078.4169 1947.7393 100.3531 -205832.7905 17641.9075 0.0000 0.0000 34129.8116 -149216.4176 298.0641 -183346.2291 -149120.8440 299.0442 34.4513 66.2031 558763.8302 -9.5315 -9.3650 PRESSURE: 26800 -89.923 -49.1089 -27.9571 -49.1095 179.544 11.7736 -27.9571 11.7741 -236.075 GPRESSURE: 26800 -22.7943 1.30311 30.9116 -71.31 198.949 -7.09428 -94.3209 95.4393 -222.215 PRESSAVG: 26800 -51.1657 44.6394 -7.70854 44.6393 77.5075 -4.14801 -7.70858 -4.14801 6.7233 GPRESSAVG: 26800 -51.2991 45.558 -7.29538 42.6171 77.8439 -4.65314 -8.21096 -4.94102 6.13515 TIMING: 26800 CPU: 80.0113, 0.00298669/step Wall: 80.0113, 0.00298669/step, 4.12595 hours remaining, 199.828125 MB of memory in use. ENERGY: 26800 746.5679 2094.4828 1927.0648 119.3503 -206341.5678 17891.4094 0.0000 0.0000 34371.0423 -149191.6503 300.1709 -183562.6926 -149095.7832 299.1272 -48.8179 -15.3535 559354.9887 11.0217 10.8933 PRESSURE: 27000 101.58 147.813 17.5591 147.814 -76.3386 -40.9958 17.5591 -40.9955 186.368 GPRESSURE: 27000 132.522 190.805 1.6312 127.685 2.54941 -173.67 -6.64975 57.2493 165.183 PRESSAVG: 27000 39.4586 37.8582 -3.2261 37.8582 19.0861 -15.1537 -3.22609 -15.1536 -77.3888 GPRESSAVG: 27000 41.4215 37.4041 -3.52449 38.3989 18.2269 -16.2355 -3.09245 -16.0368 -78.2054 TIMING: 27000 CPU: 80.6072, 0.00297915/step Wall: 80.6072, 0.00297915/step, 4.11537 hours remaining, 199.828125 MB of memory in use. ENERGY: 27000 756.8551 2035.2741 1943.2623 109.6310 -206064.5840 17988.1380 0.0000 0.0000 34259.5693 -148971.8542 299.1973 -183231.4234 -148879.6580 298.6816 70.5365 100.0848 559053.6894 -6.2814 -6.1857 PRESSURE: 27200 -211.326 95.4896 106.336 95.4894 -85.621 8.14686 106.336 8.14642 39.454 GPRESSURE: 27200 -130.111 117.985 69.6161 66.897 -57.4325 11.7105 157.042 25.586 25.2009 PRESSAVG: 27200 55.4872 17.8581 -23.6822 17.8582 -58.2664 -29.2985 -23.6821 -29.2985 -49.0584 GPRESSAVG: 27200 54.4925 17.0614 -23.9579 17.7522 -58.0333 -27.8037 -22.3171 -28.9514 -48.2331 TIMING: 27200 CPU: 81.2028, 0.00297824/step Wall: 81.2028, 0.00297824/step, 4.11394 hours remaining, 199.828125 MB of memory in use. ENERGY: 27200 744.3635 2055.5812 1973.8088 113.8740 -205721.8356 17538.8012 0.0000 0.0000 34232.1199 -149063.2870 298.9576 -183295.4069 -148968.8811 300.0388 -85.8311 -54.1142 558753.5256 -17.2792 -17.2580 PRESSURE: 27400 -158.32 18.4379 -13.4442 18.4368 -3.33173 -96.6787 -13.4434 -96.679 -23.5018 GPRESSURE: 27400 -109.175 4.1512 -55.1577 48.4703 -3.8337 -68.028 -46.5407 -207.261 19.4365 PRESSAVG: 27400 -34.7762 24.4191 -10.9731 24.419 -30.694 -6.18216 -10.9731 -6.18224 38.8152 GPRESSAVG: 27400 -34.6606 24.657 -13.4249 25.4736 -30.7156 -8.78263 -10.2762 -4.8921 39.2105 TIMING: 27400 CPU: 81.8058, 0.00301479/step Wall: 81.8058, 0.00301479/step, 4.16426 hours remaining, 199.828125 MB of memory in use. ENERGY: 27400 764.4976 2002.9102 1979.7202 110.0762 -206109.1526 17858.1952 0.0000 0.0000 34258.1521 -149135.6012 299.1850 -183393.7533 -149027.8558 299.3129 -61.7179 -31.1907 559046.7259 -8.8850 -8.7219 PRESSURE: 27600 -208.679 -189.455 153.279 -189.456 -328.658 -7.26936 153.279 -7.26958 -305.716 GPRESSURE: 27600 -130.056 -117.31 14.2513 -159.49 -322.218 -8.0783 111.811 36.3714 -286.449 PRESSAVG: 27600 29.2982 -47.3781 -27.8501 -47.378 -50.9964 -37.6087 -27.8501 -37.6086 34.6693 GPRESSAVG: 27600 30.3295 -46.2283 -26.3904 -48.6951 -52.1028 -35.1133 -29.292 -40.0174 35.0788 TIMING: 27600 CPU: 82.4026, 0.00298406/step Wall: 82.4026, 0.00298406/step, 4.12164 hours remaining, 199.828125 MB of memory in use. ENERGY: 27600 797.4245 2096.9691 1938.5942 115.8629 -205825.2984 17483.4397 0.0000 0.0000 34139.7912 -149253.2167 298.1513 -183393.0080 -149162.1001 299.4294 -281.0173 -246.2411 558464.8192 4.3237 4.4352 PRESSURE: 27800 68.791 -124.722 -79.6496 -124.722 -199.793 9.68212 -79.6499 9.68356 -79.1389 GPRESSURE: 27800 48.5101 -64.1225 -95.5983 -134.181 -107.464 110.688 -55.9938 -32.996 -54.3117 PRESSAVG: 27800 51.6762 -30.6584 28.9195 -30.6584 -54.8584 -5.68029 28.9194 -5.68034 26.8535 GPRESSAVG: 27800 51.4417 -31.77 30.1506 -31.0725 -54.3409 -6.01578 27.708 -4.63107 26.1879 TIMING: 27800 CPU: 83.0014, 0.00299407/step Wall: 83.0014, 0.00299407/step, 4.13531 hours remaining, 199.828125 MB of memory in use. ENERGY: 27800 760.4801 2043.2743 1945.8877 123.3130 -206391.8040 17831.6946 0.0000 0.0000 34453.2542 -149233.9000 300.8888 -183687.1542 -149135.0863 299.5923 -70.0468 -37.7551 557242.1106 7.8904 7.7629 PRESSURE: 28000 327.181 -26.4791 96.2352 -26.4796 45.6519 4.54191 96.2353 4.54346 311.159 GPRESSURE: 28000 303.435 7.03815 -7.85491 4.5547 125.536 -23.3492 131.636 -33.3323 363.05 PRESSAVG: 28000 9.96736 -31.6898 -18.9384 -31.6898 39.4396 -27.9759 -18.9383 -27.9759 -45.803 GPRESSAVG: 28000 8.72763 -29.8862 -18.4477 -32.9321 39.7671 -28.0993 -18.5502 -28.596 -45.3961 TIMING: 28000 CPU: 83.5981, 0.00298369/step Wall: 83.5981, 0.00298369/step, 4.12081 hours remaining, 199.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 28000 756.0272 2054.0398 1942.6279 111.7490 -206606.7282 18131.5672 0.0000 0.0000 34106.3690 -149504.3481 297.8594 -183610.7171 -149401.2411 298.2736 227.9974 264.0070 556705.1605 1.2013 1.0329 PRESSURE: 28200 -320.033 -16.6053 87.6233 -16.6066 -140.409 6.51994 87.6246 6.51965 -228.365 GPRESSURE: 28200 -283.84 -16.711 89.9715 -3.24912 -82.0721 -13.2486 -25.6832 -7.31114 -226.145 PRESSAVG: 28200 27.0884 -13.2958 -61.0153 -13.2958 -27.0453 -32.1252 -61.0153 -32.1253 -27.6506 GPRESSAVG: 28200 26.3116 -13.905 -60.7456 -10.7102 -27.2014 -31.5975 -60.708 -32.6118 -26.5929 TIMING: 28200 CPU: 84.192, 0.00296924/step Wall: 84.192, 0.00296924/step, 4.10068 hours remaining, 199.828125 MB of memory in use. ENERGY: 28200 769.5961 2096.3460 1922.7201 118.7523 -206017.4847 17501.7468 0.0000 0.0000 34186.5496 -149421.7739 298.5596 -183608.3234 -149326.8215 298.5108 -229.6024 -197.3522 557092.5587 -9.2025 -9.1609 LDB: ============= START OF LOAD BALANCING ============== 87.741 LDB: ============== END OF LOAD BALANCING =============== 87.7412 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 87.7428 LDB: ============= START OF LOAD BALANCING ============== 88.0392 LDB: Largest compute 4796 load 0.028089 is 23.9% of average load 0.117726 LDB: Average compute 0.001733 is 1.5% of average load 0.117726 LDB: TIME 88.0415 LOAD: AVG 0.117726 MAX 0.204413 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 201.371 MB LDB: TIME 88.0418 LOAD: AVG 0.117726 MAX 0.204413 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 201.57 MB LDB: TIME 88.0419 LOAD: AVG 0.117726 MAX 0.204413 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 201.57 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 88.0437 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 88.0476 PRESSURE: 28400 -38.5712 -123.177 -126.118 -123.177 -33.4749 -123.97 -126.119 -123.97 -163.36 GPRESSURE: 28400 10.2623 -60.5806 -9.30568 -182.139 -1.20456 -206.823 -84.1466 -82.0691 -144.763 PRESSAVG: 28400 55.9567 -56.6681 53.3178 -56.6682 -33.5083 -4.82541 53.3179 -4.82525 -16.8651 GPRESSAVG: 28400 57.014 -58.4793 53.0501 -56.4202 -33.3242 -7.15496 55.2328 -4.15585 -17.5533 TIMING: 28400 CPU: 84.7974, 0.00302718/step Wall: 84.7974, 0.00302718/step, 4.18053 hours remaining, 198.808594 MB of memory in use. ENERGY: 28400 747.9771 2066.1479 1927.3598 111.3009 -206230.7664 17840.8335 0.0000 0.0000 34201.5479 -149335.5993 298.6906 -183537.1471 -149242.3183 298.4841 -78.4686 -45.2349 556637.5885 1.8611 2.0455 PRESSURE: 28600 -115.629 -2.43511 27.3933 -2.43547 36.3929 -124.46 27.3928 -124.461 -237.423 GPRESSURE: 28600 -96.7405 9.29098 42.568 -26.5031 63.0898 -87.9634 44.4788 -146.656 -186.217 PRESSAVG: 28600 49.1778 -31.5498 31.1991 -31.5498 8.72581 -6.55613 31.1991 -6.55607 -53.4981 GPRESSAVG: 28600 49.2422 -30.0779 28.9437 -32.2222 8.40969 -2.72409 31.6757 -8.59744 -53.1961 TIMING: 28600 CPU: 85.3922, 0.00297393/step Wall: 85.3922, 0.00297393/step, 4.10683 hours remaining, 198.933594 MB of memory in use. ENERGY: 28600 724.7443 2108.6472 1939.2016 114.6051 -206250.2856 17849.6406 0.0000 0.0000 34306.5853 -149206.8617 299.6079 -183513.4469 -149105.8368 299.0773 -105.5530 -73.2892 557535.3322 1.4685 1.4853 PRESSURE: 28800 93.089 138.593 -11.4485 138.593 -59.9675 -169.388 -11.4497 -169.387 -239.596 GPRESSURE: 28800 86.5454 88.5973 17.0934 100.712 0.364466 -191.535 -71.4312 -118.112 -199.389 PRESSAVG: 28800 65.3978 25.0418 -5.78369 25.0418 -0.785089 14.9242 -5.78375 14.9242 -45.7058 GPRESSAVG: 28800 64.9597 24.7541 -3.91205 25.7628 -0.513167 12.0049 -8.21291 17.3766 -45.6555 TIMING: 28800 CPU: 85.99, 0.00298893/step Wall: 85.99, 0.00298893/step, 4.12738 hours remaining, 198.933594 MB of memory in use. ENERGY: 28800 760.1305 2077.6939 1916.6863 107.9570 -206106.5132 17749.1364 0.0000 0.0000 34172.4956 -149322.4136 298.4369 -183494.9091 -149223.3525 299.5276 -68.8249 -37.4930 558224.7080 6.3023 6.2637 PRESSURE: 29000 -87.0783 -72.8663 264.453 -72.8655 -208.833 -148.923 264.452 -148.923 89.5578 GPRESSURE: 29000 -65.1018 -16.3403 283.566 -104.613 -193.166 -194.471 161.903 -152.447 123.329 PRESSAVG: 29000 -3.58469 -4.05262 11.8266 -4.05263 -23.2034 17.5948 11.8267 17.5948 -10.6376 GPRESSAVG: 29000 -3.43015 -4.34992 12.7169 -4.93558 -22.9194 20.7015 11.9469 14.5013 -11.2254 TIMING: 29000 CPU: 86.5851, 0.00297565/step Wall: 86.5851, 0.00297565/step, 4.10888 hours remaining, 198.933594 MB of memory in use. ENERGY: 29000 758.1737 2110.8720 1942.2280 115.2587 -206188.3735 17745.5830 0.0000 0.0000 34309.8536 -149206.4044 299.6365 -183516.2580 -149112.4369 298.9317 -68.7844 -44.9798 558825.9813 -12.4752 -12.5250 PRESSURE: 29200 -178.233 -51.2327 -256.015 -51.2326 -293.854 -5.54217 -256.016 -5.54374 167.486 GPRESSURE: 29200 -149.931 -97.9821 -196.631 -34.2565 -244.599 31.7969 -211.525 88.9894 180.757 PRESSAVG: 29200 94.6518 35.4778 -22.4112 35.4779 -94.9026 13.0917 -22.4112 13.0916 -14.1867 GPRESSAVG: 29200 95.4832 35.9578 -23.1627 35.9675 -95.5004 11.0289 -21.8951 14.462 -14.4651 TIMING: 29200 CPU: 87.1815, 0.00298189/step Wall: 87.1815, 0.00298189/step, 4.11733 hours remaining, 198.933594 MB of memory in use. ENERGY: 29200 754.4657 2119.4313 1926.6327 109.0077 -206505.5355 17920.2514 0.0000 0.0000 34302.9532 -149372.7936 299.5762 -183675.7468 -149278.2846 299.2574 -101.5338 -71.2577 558631.9528 -4.8125 -4.8274 PRESSURE: 29400 -187.318 -22.0543 -30.6342 -22.0542 -20.9683 -27.353 -30.6338 -27.3526 -306.52 GPRESSURE: 29400 -126.236 -0.998514 -18.3248 -89.8552 -42.0599 59.7977 33.4319 66.8692 -253.284 PRESSAVG: 29400 106.319 29.2684 3.36735 29.2684 -110.207 59.9 3.36734 59.9001 37.4576 GPRESSAVG: 29400 106.144 27.9635 3.47846 28.1487 -110.259 60.0425 3.60057 60.8027 38.0219 TIMING: 29400 CPU: 87.7724, 0.0029546/step Wall: 87.7724, 0.0029546/step, 4.07948 hours remaining, 198.933594 MB of memory in use. ENERGY: 29400 782.1413 2072.1521 1977.2002 114.8559 -206322.3301 17777.9894 0.0000 0.0000 34353.9246 -149244.0666 300.0214 -183597.9912 -149147.4525 299.4488 -171.6022 -140.5267 559621.0104 11.1901 11.3023 PRESSURE: 29600 118.749 73.079 -24.9103 73.0775 -61.7544 75.394 -24.9101 75.3926 140.848 GPRESSURE: 29600 146.69 64.9239 -30.2129 185.679 28.5993 94.3465 -85.0636 76.746 123.079 PRESSAVG: 29600 -82.4147 40.7702 25.0204 40.7701 -1.40078 -4.89133 25.0204 -4.89136 86.7792 GPRESSAVG: 29600 -82.2359 41.1894 24.8577 40.6917 -1.77148 -5.81753 26.4158 -3.65925 87.4324 TIMING: 29600 CPU: 88.3615, 0.00294567/step Wall: 88.3615, 0.00294567/step, 4.06699 hours remaining, 198.933594 MB of memory in use. ENERGY: 29600 768.3319 2077.3164 1964.0106 114.2714 -206158.8787 17916.1398 0.0000 0.0000 34172.1040 -149146.7046 298.4335 -183318.8085 -149044.2632 299.4793 65.9476 99.4562 557789.1569 0.9879 1.1417 PRESSURE: 29800 31.2753 34.6384 48.5693 34.6375 38.293 -20.3669 48.5702 -20.3681 -167.086 GPRESSURE: 29800 72.735 58.3652 0.560659 -19.141 71.9299 -16.1719 11.5925 44.2379 -155.175 PRESSAVG: 29800 -11.9669 -41.3813 69.0693 -41.3814 -22.7434 -18.67 69.0695 -18.6699 45.282 GPRESSAVG: 29800 -12.2192 -40.411 68.1074 -40.6428 -23.3209 -16.7217 70.4909 -20.2559 45.8257 TIMING: 29800 CPU: 88.9593, 0.00298873/step Wall: 88.9593, 0.00298873/step, 4.12627 hours remaining, 198.933594 MB of memory in use. ENERGY: 29800 706.7852 2087.5377 1967.0227 123.4380 -206466.4192 17883.2208 0.0000 0.0000 34491.4579 -149206.9570 301.2225 -183698.4148 -149110.4821 299.5784 -32.5057 -3.5033 556517.0122 3.5239 3.4285 PRESSURE: 30000 -19.5415 17.5791 184.201 17.5779 4.53712 38.8731 184.199 38.8728 244.823 GPRESSURE: 30000 58.8245 87.9514 205.682 78.7224 5.93203 103.791 188.67 54.0249 267.063 PRESSAVG: 30000 21.1073 -0.870193 1.03857 -0.870182 -37.8798 18.2352 1.03848 18.2353 39.9342 GPRESSAVG: 30000 20.314 -0.432969 2.30248 -0.9464 -36.3877 17.093 -0.179538 19.3799 38.8425 TIMING: 30000 CPU: 89.5573, 0.00298998/step Wall: 89.5573, 0.00298998/step, 4.12783 hours remaining, 198.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 30000 780.8419 2034.5770 1934.1626 103.7262 -206249.3004 17912.6230 0.0000 0.0000 34283.0862 -149200.2835 299.4027 -183483.3697 -149102.7988 299.8982 76.6061 110.6064 556088.8653 7.7206 7.5896 PRESSURE: 30200 -113.601 22.0148 -97.2379 22.0144 -54.6861 -158.245 -97.2395 -158.246 72.584 GPRESSURE: 30200 -111.426 -29.9551 -70.2699 78.7686 -29.5999 -168.192 -103.509 -43.7713 130.584 PRESSAVG: 30200 -29.3807 -29.6859 -44.6636 -29.6858 10.153 -39.5128 -44.6635 -39.5128 19.1127 GPRESSAVG: 30200 -28.4873 -30.0593 -47.0519 -28.7348 9.33145 -37.8333 -44.7493 -41.7095 19.0442 TIMING: 30200 CPU: 90.1485, 0.00295582/step Wall: 90.1485, 0.00295582/step, 4.08051 hours remaining, 198.933594 MB of memory in use. ENERGY: 30200 775.5854 2084.9855 1946.5404 115.5674 -206080.2444 17632.5589 0.0000 0.0000 34286.8168 -149238.1900 299.4353 -183525.0068 -149141.1456 299.0349 -31.9010 -3.4808 556188.4272 -0.0383 -0.0372 PRESSURE: 30400 79.8638 -61.7695 103.681 -61.7698 147.5 15.19 103.68 15.1893 8.60573 GPRESSURE: 30400 93.6332 -25.4248 136.642 6.59964 192.769 4.75123 64.331 53.49 36.5923 PRESSAVG: 30400 40.2581 23.5574 37.6047 23.5573 18.4035 25.951 37.6047 25.9509 -42.8683 GPRESSAVG: 30400 39.3489 23.9711 38.5792 23.1342 19.0623 23.8333 36.6048 28.6116 -41.8719 TIMING: 30400 CPU: 90.7363, 0.00293923/step Wall: 90.7363, 0.00293923/step, 4.05744 hours remaining, 198.933594 MB of memory in use. ENERGY: 30400 736.5434 2138.5933 1935.9380 106.3238 -206586.4611 17940.5248 0.0000 0.0000 34438.6050 -149289.9328 300.7609 -183728.5379 -149192.0223 299.6893 78.6566 107.6647 557755.0244 5.2644 5.5131 PRESSURE: 30600 -17.8461 -68.4941 147.577 -68.4936 -159.627 139.346 147.577 139.345 15.3731 GPRESSURE: 30600 -15.8298 -57.4965 219.85 -71.5379 -99.9205 85.2347 53.9096 129.834 44.9806 PRESSAVG: 30600 19.7901 -3.0062 73.8315 -3.00607 28.6703 -58.7845 73.8315 -58.7845 -47.3609 GPRESSAVG: 30600 21.1036 -4.18129 73.4009 -2.49072 27.8887 -58.529 75.7582 -61.124 -48.0355 TIMING: 30600 CPU: 91.3258, 0.00294726/step Wall: 91.3258, 0.00294726/step, 4.06836 hours remaining, 198.933594 MB of memory in use. ENERGY: 30600 763.5783 2168.4356 1937.8537 99.5005 -206042.5106 17819.7731 0.0000 0.0000 34317.7323 -148935.6370 299.7053 -183253.3693 -148843.7377 299.9943 -54.0335 -23.5899 558024.8863 0.3665 0.3189 PRESSURE: 30800 -46.5657 -23.1475 -141.674 -23.1461 124.034 76.6016 -141.674 76.6025 -131.697 GPRESSURE: 30800 6.09681 10.9316 -130.576 -4.54238 67.8231 151.44 -33.79 79.0792 -28.1328 PRESSAVG: 30800 -9.28328 39.0127 4.725 39.0128 -49.4594 -23.1959 4.72497 -23.1959 29.0889 GPRESSAVG: 30800 -8.91684 40.6623 3.85109 37.6683 -49.5596 -21.0052 3.34263 -22.9467 28.6299 TIMING: 30800 CPU: 91.9235, 0.00298862/step Wall: 91.9235, 0.00298862/step, 4.1253 hours remaining, 198.933594 MB of memory in use. ENERGY: 30800 729.8681 2085.6124 1941.9486 123.3137 -205983.7130 17744.7935 0.0000 0.0000 34267.9197 -149090.2570 299.2703 -183358.1768 -148984.0107 300.1584 -18.0760 15.2624 557777.2626 -9.8846 -9.9488 PRESSURE: 31000 29.5969 -94.8018 77.35 -94.8014 46.9925 9.2344 77.3496 9.2341 -40.4989 GPRESSURE: 31000 0.1135 -95.1395 171.549 -50.8752 114.734 16.3694 16.884 126.384 13.0539 PRESSAVG: 31000 -33.916 -23.3802 -35.3685 -23.3803 16.8045 30.8115 -35.3686 30.8115 3.40312 GPRESSAVG: 31000 -33.7469 -25.0888 -34.0718 -22.0401 17.7862 28.4106 -36.5924 30.8292 2.23538 TIMING: 31000 CPU: 92.5174, 0.00296948/step Wall: 92.5174, 0.00296948/step, 4.09871 hours remaining, 198.933594 MB of memory in use. ENERGY: 31000 736.9297 2132.6186 1953.8096 121.1088 -206138.0830 17817.4141 0.0000 0.0000 34247.8530 -149128.3493 299.0950 -183376.2023 -149031.7257 299.5547 12.0302 42.6337 557711.9451 -4.5695 -4.5751 PRESSURE: 31200 32.7014 -16.2938 143.174 -16.2936 17.2902 -90.0665 143.174 -90.0663 10.4395 GPRESSURE: 31200 93.6374 -46.5077 172.62 43.1379 15.714 -44.5628 117.412 -120.988 56.5159 PRESSAVG: 31200 -46.889 -56.4641 4.48723 -56.464 15.6458 -23.5299 4.48727 -23.5299 47.154 GPRESSAVG: 31200 -48.0788 -58.2914 5.63997 -55.2764 14.9144 -21.4192 4.89525 -24.0825 49.1602 TIMING: 31200 CPU: 93.1113, 0.00296963/step Wall: 93.1113, 0.00296963/step, 4.09875 hours remaining, 198.933594 MB of memory in use. ENERGY: 31200 757.0950 2063.1535 1960.6201 105.8715 -206210.5868 17834.5926 0.0000 0.0000 34297.7555 -149191.4986 299.5308 -183489.2541 -149100.1251 300.1293 20.1437 55.2891 557826.9577 5.3036 5.3319 PRESSURE: 31400 -71.2559 -48.1231 208.506 -48.1224 -99.6311 -0.836969 208.508 -0.83689 -15.1647 GPRESSURE: 31400 17.7238 -97.9796 242.442 -36.0551 -107.499 -3.05774 144.983 1.32421 -4.35475 PRESSAVG: 31400 48.9652 -11.5619 25.4796 -11.5619 -33.8709 -28.1022 25.4796 -28.1022 12.2074 GPRESSAVG: 31400 49.8821 -11.2446 24.3743 -13.5118 -33.7814 -29.2551 23.2317 -25.9448 10.8465 TIMING: 31400 CPU: 93.7015, 0.00295092/step Wall: 93.7015, 0.00295092/step, 4.07276 hours remaining, 198.933594 MB of memory in use. ENERGY: 31400 736.7469 2117.7128 1929.6309 126.7758 -206371.4901 17830.9009 0.0000 0.0000 34448.0794 -149181.6434 300.8436 -183629.7228 -149082.5046 299.7492 -62.0172 -31.3766 557932.1240 9.1006 8.9824 PRESSURE: 31600 -226.652 -7.62191 179.382 -7.62201 38.2865 -41.9561 179.382 -41.9551 82.3824 GPRESSURE: 31600 -187.714 -80.495 129.399 -43.0848 51.1539 -78.6985 179.394 25.6778 127.586 PRESSAVG: 31600 -9.27432 -53.3443 -9.62319 -53.3443 -45.4884 -23.1498 -9.62312 -23.1499 18.0116 GPRESSAVG: 31600 -9.75214 -50.2046 -10.2032 -54.2392 -44.933 -22.5758 -7.54362 -25.3089 17.7556 TIMING: 31600 CPU: 94.2922, 0.00295348/step Wall: 94.2922, 0.00295348/step, 4.07613 hours remaining, 198.933594 MB of memory in use. ENERGY: 31600 763.0523 2101.3984 1945.4560 111.9301 -206327.6255 17982.2633 0.0000 0.0000 34332.4720 -149091.0536 299.8340 -183423.5255 -148996.7633 299.4635 -35.3276 -2.9911 558108.5804 -12.2504 -12.3099 PRESSURE: 31800 -46.2371 -202.793 48.2707 -202.793 141.852 103.948 48.272 103.946 373.053 GPRESSURE: 31800 28.1831 -235.481 1.73005 -213.511 160.475 147.444 111.079 55.2237 391.781 PRESSAVG: 31800 -67.2336 -28.376 0.97771 -28.3761 45.403 -77.3989 0.977761 -77.3987 21.465 GPRESSAVG: 31800 -68.4055 -29.5074 4.02917 -26.5141 45.8239 -79.2712 -1.12988 -77.1261 21.8588 TIMING: 31800 CPU: 94.89, 0.00298896/step Wall: 94.89, 0.00298896/step, 4.12494 hours remaining, 198.933594 MB of memory in use. ENERGY: 31800 727.2665 2087.1276 1931.5280 105.3793 -206267.9418 17919.6516 0.0000 0.0000 34385.4232 -149111.5655 300.2965 -183496.9887 -149023.4638 299.6153 156.2225 193.4795 557306.0394 -0.1219 -0.2409 PRESSURE: 32000 -286.612 -42.8542 -20.1127 -42.8547 -171.598 9.52549 -20.1139 9.5248 127.935 GPRESSURE: 32000 -179.239 -62.8179 -14.2393 -119.656 -179.953 19.4934 -89.7829 52.3966 141.175 PRESSAVG: 32000 -92.3729 -50.3446 31.3014 -50.3445 15.312 -50.8999 31.3013 -50.8998 52.1723 GPRESSAVG: 32000 -92.6777 -50.0116 30.1207 -51.1709 14.4901 -48.5875 32.4748 -52.2704 53.565 TIMING: 32000 CPU: 95.4916, 0.00300824/step Wall: 95.4916, 0.00300824/step, 4.15137 hours remaining, 198.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 32000 745.6737 2091.4754 1914.9967 102.3288 -205744.6625 17639.6891 0.0000 0.0000 34259.3457 -148991.1531 299.1954 -183250.4988 -148898.1336 300.4282 -110.0915 -72.6724 557233.5711 -8.2962 -8.2075 PRESSURE: 32200 254.897 106.215 44.8873 106.216 249.054 69.283 44.8874 69.2837 323.552 GPRESSURE: 32200 309.448 113.72 2.26738 82.2049 317.686 120.368 95.0416 13.131 298.045 PRESSAVG: 32200 15.7241 -13.302 9.2495 -13.302 -6.23877 -30.0999 9.24945 -30.0999 -29.0859 GPRESSAVG: 32200 15.7335 -13.922 8.95208 -12.8554 -5.7541 -31.2091 10.4122 -29.1603 -29.8545 TIMING: 32200 CPU: 96.0853, 0.00296847/step Wall: 96.0853, 0.00296847/step, 4.09633 hours remaining, 198.933594 MB of memory in use. ENERGY: 32200 705.3746 2075.8400 1951.7838 104.2782 -206561.3194 18197.3492 0.0000 0.0000 34275.6443 -149251.0493 299.3377 -183526.6935 -149154.6622 299.6685 275.8346 308.3933 555092.8532 -6.5335 -6.6250 LDB: ============= START OF LOAD BALANCING ============== 99.6323 LDB: ============== END OF LOAD BALANCING =============== 99.6325 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 99.6339 LDB: ============= START OF LOAD BALANCING ============== 99.933 LDB: Largest compute 4773 load 0.027890 is 23.7% of average load 0.117799 LDB: Average compute 0.001735 is 1.5% of average load 0.117799 LDB: TIME 99.9354 LOAD: AVG 0.117799 MAX 0.206174 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 201.242 MB LDB: TIME 99.9356 LOAD: AVG 0.117799 MAX 0.206174 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 201.445 MB LDB: TIME 99.9357 LOAD: AVG 0.117799 MAX 0.206174 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 201.445 MB LDB: ============== END OF LOAD BALANCING =============== 99.9375 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 99.9417 PRESSURE: 32400 -113.647 145.546 63.2649 145.546 -242.414 -160.958 63.2645 -160.958 -361.032 GPRESSURE: 32400 -102.119 45.3534 29.5871 162.806 -225.317 -230.922 134.754 -130.328 -287.497 PRESSAVG: 32400 55.9573 31.6977 -33.1415 31.6978 -19.1875 -48.2722 -33.1414 -48.2722 -45.9985 GPRESSAVG: 32400 57.5507 32.0237 -34.1112 30.4781 -20.157 -49.6775 -33.5258 -46.9144 -46.5931 TIMING: 32400 CPU: 96.6918, 0.00303266/step Wall: 96.6918, 0.00303266/step, 4.18474 hours remaining, 198.609375 MB of memory in use. ENERGY: 32400 734.7301 2152.3938 1936.1173 114.1001 -205913.8746 17302.3338 0.0000 0.0000 34145.6778 -149528.5216 298.2027 -183674.1994 -149429.8533 299.2525 -239.0311 -204.9775 556526.2034 -3.0762 -3.0665 PRESSURE: 32600 154.026 -63.7263 -216.866 -63.726 -204.913 43.5039 -216.867 43.502 -118.984 GPRESSURE: 32600 187.836 -31.2506 -145.099 -34.9129 -203.67 97.3463 -198.829 105.314 -62.6229 PRESSAVG: 32600 74.6829 31.3609 -41.3874 31.3608 -5.19189 -83.3236 -41.3875 -83.3235 23.0633 GPRESSAVG: 32600 73.2344 29.9279 -41.4876 33.6326 -4.14359 -84.9425 -42.4254 -83.1756 24.1241 TIMING: 32600 CPU: 97.2905, 0.00299319/step Wall: 97.2905, 0.00299319/step, 4.1301 hours remaining, 198.609375 MB of memory in use. ENERGY: 32600 753.5998 2105.6281 1954.8976 116.8869 -206077.5553 17670.0371 0.0000 0.0000 34178.1450 -149298.3608 298.4862 -183476.5058 -149198.3501 298.7443 -56.6238 -26.1524 556686.6529 30.8514 31.0716 PRESSURE: 32800 117.259 65.8467 -1.72441 65.8476 27.6308 -158.584 -1.72463 -158.584 10.3133 GPRESSURE: 32800 125.674 83.4374 -75.2956 45.1394 107.724 -199.392 69.3183 -150.409 12.6051 PRESSAVG: 32800 45.6848 -17.5407 -65.5572 -17.5406 -21.4162 8.23619 -65.5573 8.2362 -22.5337 GPRESSAVG: 32800 46.3811 -17.2704 -67.024 -15.9484 -22.1233 9.54657 -63.2508 9.42975 -22.0037 TIMING: 32800 CPU: 97.8865, 0.00298015/step Wall: 97.8865, 0.00298015/step, 4.11194 hours remaining, 198.609375 MB of memory in use. ENERGY: 32800 729.9253 2076.8028 1951.2571 127.1468 -206349.3716 17789.9859 0.0000 0.0000 34528.7177 -149145.5360 301.5479 -183674.2537 -149052.2552 299.4186 51.7342 82.0011 556607.9349 0.5783 0.7514 PRESSURE: 33000 233.575 40.2937 -179.246 40.2927 172.456 89.6104 -179.247 89.6114 201.952 GPRESSURE: 33000 295.029 66.37 -146.656 97.874 202.959 15.4908 -229.527 70.1443 219.195 PRESSAVG: 33000 61.6454 26.2958 7.93202 26.2959 -35.8782 -26.188 7.93203 -26.188 -3.39219 GPRESSAVG: 33000 62.2869 26.5196 9.15335 23.9479 -36.1358 -24.7178 7.54271 -28.5236 -3.72536 TIMING: 33000 CPU: 98.4833, 0.00298381/step Wall: 98.4833, 0.00298381/step, 4.11683 hours remaining, 198.609375 MB of memory in use. ENERGY: 33000 715.9869 2103.8864 1947.1063 119.4311 -206898.3089 18341.0236 0.0000 0.0000 34467.5647 -149203.3099 301.0138 -183670.8746 -149109.6535 299.9651 202.6614 239.0609 556390.1924 7.4583 7.4753 PRESSURE: 33200 59.6569 15.8185 83.3806 15.8182 154.418 -212.388 83.3803 -212.386 -55.6134 GPRESSURE: 33200 125.456 -3.39382 35.1161 47.4717 137.259 -159.666 68.3751 -209.883 -3.15196 PRESSAVG: 33200 68.6574 -5.60118 -8.30617 -5.60117 -42.8718 7.0667 -8.30618 7.06684 -17.8559 GPRESSAVG: 33200 67.8398 -5.22207 -8.28992 -3.7254 -42.8463 7.71462 -9.39907 7.64376 -16.8658 TIMING: 33200 CPU: 99.0758, 0.00296275/step Wall: 99.0758, 0.00296275/step, 4.08761 hours remaining, 198.609375 MB of memory in use. ENERGY: 33200 711.3643 2098.0226 1967.1517 106.4829 -206219.2406 17863.2814 0.0000 0.0000 34269.6509 -149203.2868 299.2854 -183472.9377 -149100.7663 299.4618 52.8205 86.5213 557056.3420 2.6432 2.7093 PRESSURE: 33400 -182.745 -94.7143 -18.067 -94.712 -116.042 20.9092 -18.0654 20.9088 -370.054 GPRESSURE: 33400 -182.254 -48.4409 28.7967 -49.6956 -76.6157 26.2728 -45.1973 10.7971 -299.29 PRESSAVG: 33400 -40.3937 -8.13032 23.9436 -8.13032 -6.67295 -44.5791 23.9437 -44.5791 22.1105 GPRESSAVG: 33400 -39.2679 -8.96774 26.1473 -7.72821 -7.49889 -44.1663 22.603 -46.6643 21.9764 TIMING: 33400 CPU: 99.6685, 0.0029636/step Wall: 99.6685, 0.0029636/step, 4.08862 hours remaining, 198.609375 MB of memory in use. ENERGY: 33400 752.8836 2091.1428 1990.3829 108.2959 -205937.2842 17533.1514 0.0000 0.0000 34395.1495 -149066.2780 300.3814 -183461.4275 -148965.7627 300.4082 -222.9468 -186.0533 558471.3594 -8.3187 -8.2635 PRESSURE: 33600 -108.592 -101.998 -153.576 -101.999 -79.9124 52.3494 -153.576 52.3484 -166.539 GPRESSURE: 33600 -47.0185 -91.482 -89.3599 -0.186289 -63.8093 100.046 -162.961 -56.6462 -156.247 PRESSAVG: 33600 -6.19974 20.6596 18.3322 20.6596 18.0195 12.6731 18.3322 12.673 -4.65997 GPRESSAVG: 33600 -7.44166 21.313 15.8826 20.5728 18.4205 12.5873 20.2272 15.1614 -4.62652 TIMING: 33600 CPU: 100.261, 0.0029616/step Wall: 100.261, 0.0029616/step, 4.08569 hours remaining, 198.609375 MB of memory in use. ENERGY: 33600 734.4270 2100.9488 1948.7406 114.7652 -205687.8768 17472.7458 0.0000 0.0000 34284.5906 -149031.6588 299.4159 -183316.2494 -148931.7105 299.7119 -118.3477 -89.0248 557500.7686 2.3866 2.1175 PRESSURE: 33800 209.869 -17.1697 43.044 -17.1684 317.194 88.4473 43.0439 88.4457 147.656 GPRESSURE: 33800 237.972 -2.67401 175.095 -7.12624 371.313 49.7491 -55.0744 160.186 160.691 PRESSAVG: 33800 20.4723 -33.6186 34.9314 -33.6185 2.7305 28.8659 34.9314 28.8658 -93.5433 GPRESSAVG: 33800 21.1697 -30.7503 34.62 -35.3641 1.83375 27.2448 33.9246 29.7318 -93.6808 TIMING: 33800 CPU: 100.858, 0.00298344/step Wall: 100.858, 0.00298344/step, 4.11566 hours remaining, 198.609375 MB of memory in use. ENERGY: 33800 713.0601 2102.2544 1950.5610 113.3849 -206561.2629 18088.6410 0.0000 0.0000 34395.5960 -149197.7654 300.3853 -183593.3615 -149095.3084 299.6676 224.9064 256.6584 556820.0799 -23.4468 -23.5591 PRESSURE: 34000 -172.52 141.603 -200.727 141.603 -210.581 19.8767 -200.727 19.8766 -37.9568 GPRESSURE: 34000 -160.057 210.91 -185.46 84.9633 -184.648 -40.9169 -251.505 -32.5732 25.589 PRESSAVG: 34000 -35.0578 73.5958 42.4033 73.5958 71.9336 20.1801 42.4032 20.1802 -26.3203 GPRESSAVG: 34000 -35.6504 73.407 42.9373 73.3776 72.3349 19.7828 42.9038 19.2978 -26.2573 TIMING: 34000 CPU: 101.447, 0.00294892/step Wall: 101.447, 0.00294892/step, 4.06787 hours remaining, 198.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 34000 759.9009 2069.1468 1961.9539 117.9254 -206014.6802 17652.9594 0.0000 0.0000 34340.0637 -149112.7300 299.9003 -183452.7937 -149021.7696 300.0076 -140.3526 -106.3722 558272.3709 3.5185 3.4757 PRESSURE: 34200 -113.63 58.3795 -81.1159 58.3799 -196.29 27.4704 -81.1159 27.4696 -204.77 GPRESSURE: 34200 -99.7852 102.219 -71.2812 -8.8207 -181.329 61.5785 -39.8004 36.4299 -160.75 PRESSAVG: 34200 26.8457 17.6774 -9.27427 17.6776 -25.9027 7.95096 -9.2743 7.95089 -3.415 GPRESSAVG: 34200 26.5956 14.9318 -9.14057 19.0803 -25.4562 8.80098 -8.85298 7.45654 -4.34084 TIMING: 34200 CPU: 102.038, 0.00295257/step Wall: 102.038, 0.00295257/step, 4.07275 hours remaining, 198.609375 MB of memory in use. ENERGY: 34200 749.6252 2115.2181 1941.5909 116.2912 -205967.5790 17552.5236 0.0000 0.0000 34331.7231 -149160.6069 299.8275 -183492.3300 -149070.2822 299.5433 -171.5630 -147.2883 558964.3812 -0.8240 -1.0672 PRESSURE: 34400 115.549 -6.31067 -21.2586 -6.31098 -105.19 142.303 -21.2593 142.303 98.5256 GPRESSURE: 34400 196.331 1.90183 16.9589 30.797 -74.4472 141.134 43.1694 138.635 88.5675 PRESSAVG: 34400 -5.30036 -4.79915 -28.8452 -4.79925 -6.1019 51.155 -28.8452 51.1549 -18.0354 GPRESSAVG: 34400 -4.56901 -3.36799 -29.8214 -6.78952 -6.45121 52.2193 -28.1967 50.0298 -18.4746 TIMING: 34400 CPU: 102.629, 0.00295632/step Wall: 102.629, 0.00295632/step, 4.07775 hours remaining, 198.609375 MB of memory in use. ENERGY: 34400 756.8293 2085.6821 1965.1109 113.9719 -206502.7550 18024.1784 0.0000 0.0000 34354.5934 -149202.3889 300.0272 -183556.9824 -149115.4277 299.4305 36.2947 70.1506 557990.0114 -9.8126 -9.8316 PRESSURE: 34600 -30.8119 13.0245 -21.0618 13.0246 100.711 30.4099 -21.0614 30.4099 -198.278 GPRESSURE: 34600 -23.2713 51.9803 22.9743 6.94149 121.623 66.2388 11.987 20.8496 -138.225 PRESSAVG: 34600 33.2916 0.185579 -26.719 0.185568 1.40741 11.2106 -26.719 11.2104 3.37978 GPRESSAVG: 34600 33.9022 0.562993 -26.1978 0.908593 0.472573 11.0581 -25.9243 13.2097 3.93275 TIMING: 34600 CPU: 103.222, 0.00296343/step Wall: 103.222, 0.00296343/step, 4.08739 hours remaining, 198.609375 MB of memory in use. ENERGY: 34600 741.3635 2083.1037 1962.5855 126.9814 -206118.6607 17686.8305 0.0000 0.0000 34516.8567 -149000.9394 301.4443 -183517.7961 -148906.5781 299.5569 -42.7930 -13.2913 558283.7289 12.6929 12.7692 PRESSURE: 34800 -56.3344 -346.886 88.857 -346.887 47.9441 -156.556 88.8569 -156.556 93.8761 GPRESSURE: 34800 -53.1412 -438.878 -8.48603 -252.746 119.903 -73.998 102.291 -262.856 119.009 PRESSAVG: 34800 8.58707 4.17671 -7.5807 4.17667 -52.0683 13.9092 -7.58061 13.9092 24.2877 GPRESSAVG: 34800 8.24995 3.32675 -5.98251 4.5085 -52.3118 14.0406 -8.50085 11.7932 25.345 TIMING: 34800 CPU: 103.811, 0.00294537/step Wall: 103.811, 0.00294537/step, 4.06232 hours remaining, 198.609375 MB of memory in use. ENERGY: 34800 761.0976 2096.3864 1942.7145 114.3261 -206255.0526 17976.0797 0.0000 0.0000 34288.8279 -149075.6205 299.4529 -183364.4484 -148977.4234 300.1022 28.4953 61.9239 560163.6424 -6.3979 -6.2389 PRESSURE: 35000 -111.664 244.514 160.918 244.514 13.6368 7.27637 160.917 7.27458 290.256 GPRESSURE: 35000 -126.494 315.871 61.1566 253.122 54.3973 30.285 258.613 81.9495 351.513 PRESSAVG: 35000 47.578 8.77422 56.3604 8.77424 -80.7617 2.76869 56.3604 2.76873 38.4926 GPRESSAVG: 35000 48.1045 8.68107 54.3916 11.6683 -79.9548 2.84115 56.4171 3.10639 37.4083 TIMING: 35000 CPU: 104.405, 0.00297155/step Wall: 104.405, 0.00297155/step, 4.09826 hours remaining, 198.609375 MB of memory in use. ENERGY: 35000 733.8209 2125.5131 1977.0697 109.9197 -206270.0092 17856.6457 0.0000 0.0000 34439.8101 -149027.2301 300.7714 -183467.0401 -148931.1944 300.3158 64.0765 93.1388 557730.1191 1.7696 1.8527 PRESSURE: 35200 -112.263 0.393015 87.0537 0.392843 -67.2979 -208.618 87.0536 -208.618 187.266 GPRESSURE: 35200 2.56272 -72.6216 55.6035 -53.6934 -79.5883 -169.061 62.383 -216.276 165.237 PRESSAVG: 35200 -54.5185 -17.1232 25.9008 -17.1232 33.8426 4.62309 25.9008 4.62301 21.1315 GPRESSAVG: 35200 -54.3666 -17.8697 24.8058 -17.8459 33.8741 4.26538 27.7005 4.26193 20.7195 TIMING: 35200 CPU: 105.002, 0.00298548/step Wall: 105.002, 0.00298548/step, 4.11731 hours remaining, 198.609375 MB of memory in use. ENERGY: 35200 756.4428 2107.1714 1986.6291 121.5766 -206319.9708 17800.2573 0.0000 0.0000 34501.4208 -149046.4728 301.3095 -183547.8936 -148948.2568 300.3198 2.5683 29.4037 557148.9742 0.1519 0.0757 PRESSURE: 35400 126.186 85.7469 4.10137 85.7471 33.8385 110.983 4.1009 110.983 -42.9373 GPRESSURE: 35400 117.254 38.1363 -18.2383 98.1168 153.298 102.847 18.403 80.8743 -48.4947 PRESSAVG: 35400 68.6967 -18.4383 64.6313 -18.4383 7.33011 -62.0197 64.6312 -62.0197 -89.1056 GPRESSAVG: 35400 68.3611 -16.1286 65.3202 -19.7999 6.74653 -62.2298 63.6083 -59.9797 -87.9146 TIMING: 35400 CPU: 105.598, 0.00298089/step Wall: 105.598, 0.00298089/step, 4.11081 hours remaining, 198.609375 MB of memory in use. ENERGY: 35400 746.5919 2086.0077 1947.6957 117.1346 -206123.1633 17754.7235 0.0000 0.0000 34483.2912 -148987.7186 301.1512 -183471.0098 -148889.8606 299.8154 39.0292 74.0191 556493.7518 -4.3596 -4.2690 PRESSURE: 35600 -371.205 36.7995 74.5048 36.8 -155.372 29.1536 74.506 29.1542 -140.341 GPRESSURE: 35600 -297.211 84.726 57.8283 61.9565 -143.521 -120.436 127.271 80.3767 -128.73 PRESSAVG: 35600 -63.1603 -19.3416 71.7979 -19.3417 29.2213 -12.6813 71.7979 -12.6814 36.568 GPRESSAVG: 35600 -62.6047 -20.5849 73.3623 -20.4053 29.7122 -13.6446 71.283 -13.3827 35.2311 TIMING: 35600 CPU: 106.196, 0.00298874/step Wall: 106.196, 0.00298874/step, 4.12148 hours remaining, 198.609375 MB of memory in use. ENERGY: 35600 734.8487 2112.6254 1952.3477 114.1234 -205223.3029 17127.5466 0.0000 0.0000 34212.0401 -148969.7711 298.7823 -183181.8112 -148871.9800 300.0071 -222.3059 -189.8210 558501.7861 0.8763 0.7796 PRESSURE: 35800 -20.2948 107.988 -63.4323 107.988 23.5321 -52.0681 -63.4325 -52.0685 -346.755 GPRESSURE: 35800 -1.15217 70.4058 -178.167 102.08 -7.40803 -160.943 -0.0813511 -64.0393 -221.15 PRESSAVG: 35800 9.98041 12.0828 2.89971 12.0828 57.0279 -14.0629 2.89968 -14.0628 -54.6859 GPRESSAVG: 35800 10.0421 12.0289 3.54642 11.3962 57.7586 -14.2775 2.89836 -13.2254 -54.4211 TIMING: 35800 CPU: 106.791, 0.00297273/step Wall: 106.791, 0.00297273/step, 4.09923 hours remaining, 198.609375 MB of memory in use. ENERGY: 35800 798.0850 2102.0765 1935.6466 109.4577 -206061.0088 17795.3843 0.0000 0.0000 34511.6610 -148808.6977 301.3989 -183320.3587 -148700.9161 299.8509 -114.5060 -76.5699 558221.0361 4.1075 4.4599 PRESSURE: 36000 107.018 -98.4762 -28.4923 -98.4766 45.5132 -96.8607 -28.4921 -96.8601 227.378 GPRESSURE: 36000 154.067 -104.925 -19.0056 19.8726 129.03 -60.0027 -98.9064 -60.65 197.082 PRESSAVG: 36000 -25.5486 53.4342 14.8536 53.4341 -4.70113 -85.1861 14.8536 -85.1861 19.8536 GPRESSAVG: 36000 -26.0094 52.2967 14.6193 56.5157 -4.61835 -84.2877 14.6517 -85.6186 19.6139 TIMING: 36000 CPU: 107.38, 0.00294835/step Wall: 107.38, 0.00294835/step, 4.06545 hours remaining, 198.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 36000 757.9194 2113.7145 1924.0677 115.0584 -206196.0606 18059.8677 0.0000 0.0000 34376.9185 -148848.5143 300.2222 -183225.4328 -148745.5662 300.2686 126.6365 160.0598 557152.4604 -3.4654 -3.6713 PRESSURE: 36200 -166.534 -122.372 4.53554 -122.372 -118.14 -56.6596 4.53473 -56.6587 21.4398 GPRESSURE: 36200 -152.382 -111.994 -32.4395 -66.2063 -105.876 -62.762 7.6369 -58.6206 82.2941 PRESSAVG: 36200 5.70728 -5.4297 45.5111 -5.42955 -56.3501 -5.59384 45.5112 -5.59377 60.7298 GPRESSAVG: 36200 5.4159 -3.12274 44.008 -7.86537 -56.6492 -4.4451 47.6808 -6.42533 61.1165 TIMING: 36200 CPU: 107.974, 0.00296722/step Wall: 107.974, 0.00296722/step, 4.0913 hours remaining, 198.609375 MB of memory in use. ENERGY: 36200 733.8340 2079.6805 1930.7994 120.0604 -205871.6703 17629.2693 0.0000 0.0000 34525.2659 -148852.7608 301.5177 -183378.0267 -148756.0262 300.6071 -87.7448 -58.6547 558228.1143 3.3623 3.2944 LDB: ============= START OF LOAD BALANCING ============== 111.522 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 111.522 LDB: =============== DONE WITH MIGRATION ================ 111.523 LDB: ============= START OF LOAD BALANCING ============== 111.82 LDB: Largest compute 4796 load 0.027672 is 23.5% of average load 0.117817 LDB: Average compute 0.001735 is 1.5% of average load 0.117817 LDB: TIME 111.822 LOAD: AVG 0.117817 MAX 0.204335 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 200.152 MB LDB: TIME 111.823 LOAD: AVG 0.117817 MAX 0.204335 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.152 MB LDB: TIME 111.823 LOAD: AVG 0.117817 MAX 0.204335 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.152 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 111.824 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 111.829 PRESSURE: 36400 -11.9675 -3.59227 135.25 -3.59165 163.986 20.6001 135.249 20.5993 77.6234 GPRESSURE: 36400 38.8397 -75.1616 62.2096 -50.849 215.358 -69.4868 80.6181 60.3034 80.7745 PRESSAVG: 36400 -29.2899 -49.3011 0.610641 -49.3011 -14.5163 -11.2233 0.610617 -11.2232 49.788 GPRESSAVG: 36400 -28.1574 -50.069 2.22177 -49.4937 -14.7391 -10.7431 -1.8725 -11.618 49.0985 TIMING: 36400 CPU: 108.578, 0.00302234/step Wall: 108.578, 0.00302234/step, 4.16713 hours remaining, 199.578125 MB of memory in use. ENERGY: 36400 765.4198 2128.6324 1945.7671 120.9899 -206126.7439 17958.9258 0.0000 0.0000 34521.5456 -148685.4634 301.4852 -183207.0089 -148582.3273 300.2004 76.5472 111.6575 558179.0334 1.9939 2.0674 PRESSURE: 36600 0.808794 69.2247 -2.89931 69.2241 -174.296 -94.1799 -2.89888 -94.1804 -229.83 GPRESSURE: 36600 46.9894 41.0744 25.0038 111.673 -163.404 -78.2388 -119.943 -75.0796 -180.929 PRESSAVG: 36600 -8.75008 -33.2001 -10.5943 -33.2 17.7192 -44.0643 -10.5943 -44.0643 32.4942 GPRESSAVG: 36600 -8.18438 -33.0216 -12.2716 -31.9997 17.686 -43.8845 -9.0875 -42.9744 31.7784 TIMING: 36600 CPU: 109.175, 0.00298306/step Wall: 109.175, 0.00298306/step, 4.11281 hours remaining, 199.578125 MB of memory in use. ENERGY: 36600 758.2806 2061.3692 1935.4544 128.0204 -205718.5679 17610.9982 0.0000 0.0000 34453.3109 -148771.1341 300.8893 -183224.4450 -148675.2698 301.5414 -134.4389 -99.1146 557195.3475 13.8211 13.7600 PRESSURE: 36800 -57.0302 -67.8666 72.1867 -67.8665 -309.421 22.289 72.1869 22.2896 -141.129 GPRESSURE: 36800 -27.2191 -86.5307 72.0451 -117.154 -180.813 -46.5622 40.1452 77.5339 -194.862 PRESSAVG: 36800 21.4881 2.3623 8.83697 2.36223 -41.5315 -2.71388 8.83697 -2.71386 14.5323 GPRESSAVG: 36800 20.6015 3.28805 10.2529 1.36021 -40.8614 -4.1148 8.12833 -1.80473 14.966 TIMING: 36800 CPU: 109.773, 0.00299238/step Wall: 109.773, 0.00299238/step, 4.12549 hours remaining, 199.578125 MB of memory in use. ENERGY: 36800 756.7662 2066.0030 1924.6120 102.8882 -205877.0810 17608.8927 0.0000 0.0000 34608.6020 -148809.3168 302.2455 -183417.9188 -148708.9198 301.0239 -169.1933 -134.2982 559091.7413 -1.8370 -1.7646 PRESSURE: 37000 121.262 34.2215 -80.2786 34.2199 -39.8091 -38.2451 -80.2774 -38.2445 263.443 GPRESSURE: 37000 142.009 110.553 6.56994 18.6969 8.0298 -5.26143 -80.0413 -84.7427 292.9 PRESSAVG: 37000 26.7199 10.315 -14.906 10.3149 -36.6107 -64.4992 -14.906 -64.4992 17.987 GPRESSAVG: 37000 25.8241 9.29769 -14.8826 13.5456 -35.1522 -64.2698 -15.9626 -65.5828 18.1106 TIMING: 37000 CPU: 110.373, 0.00299999/step Wall: 110.373, 0.00299999/step, 4.13582 hours remaining, 199.648438 MB of memory in use. ENERGY: 37000 756.4969 2096.7835 1929.2941 108.9176 -206122.6657 17965.6020 0.0000 0.0000 34364.4998 -148901.0718 300.1137 -183265.5716 -148805.6598 299.6003 114.9652 147.6463 556656.2809 2.6987 2.9275 PRESSURE: 37200 -368.614 -64.522 -19.2461 -64.5232 7.47007 -5.89439 -19.2457 -5.89384 -55.3463 GPRESSURE: 37200 -299.729 -109.334 -12.585 -65.8993 -32.0094 51.7729 -16.1935 27.8951 7.79565 PRESSAVG: 37200 14.1837 -66.2396 -40.1892 -66.2396 -28.9594 -4.57074 -40.1893 -4.57078 13.6041 GPRESSAVG: 37200 14.3952 -64.6097 -38.8663 -67.2642 -30.0999 -4.39065 -39.6375 -5.05809 14.3205 TIMING: 37200 CPU: 110.969, 0.00297849/step Wall: 110.969, 0.00297849/step, 4.10601 hours remaining, 199.648438 MB of memory in use. ENERGY: 37200 735.1319 2088.0336 1918.7787 110.9487 -206043.9451 17680.3698 0.0000 0.0000 34541.9040 -148968.7783 301.6630 -183510.6823 -148878.7592 300.7167 -138.8300 -107.9808 557648.6082 -0.3905 -0.4614 PRESSURE: 37400 180.603 -51.6065 -11.4085 -51.605 -66.3837 98.0803 -11.4091 98.0801 11.9474 GPRESSURE: 37400 170.34 -15.7092 -65.4353 -124.039 6.06548 196.05 1.26249 32.0123 41.984 PRESSAVG: 37400 17.8676 -29.0653 23.8424 -29.0652 -68.1928 47.8978 23.8422 47.8977 9.94522 GPRESSAVG: 37400 17.2147 -31.7921 21.0115 -29.1035 -67.6673 48.1797 23.9547 48.4484 10.287 TIMING: 37400 CPU: 111.564, 0.00297416/step Wall: 111.564, 0.00297416/step, 4.09988 hours remaining, 199.648438 MB of memory in use. ENERGY: 37400 745.0572 2105.6347 1924.0764 118.3450 -206135.4279 18039.6102 0.0000 0.0000 34245.0076 -148957.6967 299.0702 -183202.7043 -148864.0691 300.7697 42.0556 72.7966 558250.2342 -13.4600 -13.3885 PRESSURE: 37600 -73.3891 -257.766 81.4804 -257.766 10.1489 71.7991 81.4819 71.7984 15.4776 GPRESSURE: 37600 -55.087 -225.919 44.0841 -254.22 19.2449 56.4371 140.364 77.2144 91.6076 PRESSAVG: 37600 -33.0174 -5.33242 70.052 -5.33248 28.8833 3.46757 70.052 3.46744 27.5577 GPRESSAVG: 37600 -31.6648 -3.21807 71.4621 -5.52623 28.0045 3.06309 71.0042 4.04306 27.3126 TIMING: 37600 CPU: 112.16, 0.00298086/step Wall: 112.16, 0.00298086/step, 4.10895 hours remaining, 199.648438 MB of memory in use. ENERGY: 37600 744.6326 2089.2107 1938.8831 112.3124 -205918.3576 17748.2720 0.0000 0.0000 34428.8215 -148856.2252 300.6755 -183285.0468 -148755.6540 300.7123 -15.9209 18.5885 558259.3136 7.8079 7.8841 PRESSURE: 37800 -443.464 -172.316 -93.1914 -172.315 -14.7507 49.347 -93.1916 49.3479 -106.52 GPRESSURE: 37800 -313.186 -106.744 -173.656 -184.655 -54.4588 30.161 19.861 73.0491 -102.753 PRESSAVG: 37800 -17.531 9.22393 -28.1856 9.22394 2.48851 22.33 -28.1856 22.33 28.3178 GPRESSAVG: 37800 -17.3823 6.83014 -29.0737 10.345 2.18411 24.3926 -28.5633 21.0696 28.3697 TIMING: 37800 CPU: 112.756, 0.00298117/step Wall: 112.756, 0.00298117/step, 4.10921 hours remaining, 199.648438 MB of memory in use. ENERGY: 37800 786.6434 2084.6498 1948.0200 112.4820 -206058.0258 17770.0429 0.0000 0.0000 34349.7955 -149006.3922 299.9853 -183356.1876 -148912.1647 300.2011 -188.2449 -156.7991 558432.2846 4.4251 4.3905 PRESSURE: 38000 -3.95985 -31.5649 11.7889 -31.5662 -16.9938 -26.3661 11.7877 -26.3671 -80.1509 GPRESSURE: 38000 45.0469 -103.883 34.1481 -90.12 -21.7453 -92.2192 -17.4138 -49.8277 -17.6125 PRESSAVG: 38000 -14.6022 -10.003 -17.5305 -10.0029 -77.6748 27.1615 -17.5305 27.1615 6.71181 GPRESSAVG: 38000 -15.846 -11.5841 -15.8959 -9.67406 -76.7705 25.1111 -17.7669 27.2108 6.99982 TIMING: 38000 CPU: 113.351, 0.00297321/step Wall: 113.351, 0.00297321/step, 4.09808 hours remaining, 199.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 38000 754.1438 2064.1443 1942.5349 120.2735 -206109.7195 17823.0610 0.0000 0.0000 34261.6699 -149143.8921 299.2157 -183405.5620 -149047.5056 299.4003 -33.7015 1.8964 558127.1374 -28.5217 -28.5389 PRESSURE: 38200 -143.422 93.8551 -124.142 93.8552 72.9065 15.2176 -124.143 15.2161 -235.759 GPRESSURE: 38200 -181.801 107.644 -136.249 99.6844 121.724 -22.7878 -192.325 29.3315 -149.174 PRESSAVG: 38200 13.9141 27.5482 9.90865 27.5482 30.5453 -18.1649 9.90866 -18.165 -27.3245 GPRESSAVG: 38200 14.5367 30.8269 8.68815 23.532 29.7044 -15.1833 10.1806 -18.8964 -27.179 TIMING: 38200 CPU: 113.949, 0.00299109/step Wall: 113.949, 0.00299109/step, 4.12255 hours remaining, 199.648438 MB of memory in use. ENERGY: 38200 786.4377 2085.5336 1952.2958 109.0950 -206198.2721 17664.5067 0.0000 0.0000 34531.8190 -149068.5842 301.5750 -183600.4032 -148965.8625 300.0578 -102.0913 -69.7506 556225.5116 5.7116 5.6874 PRESSURE: 38400 -74.4017 165.667 -64.1179 165.667 92.4332 21.0844 -64.118 21.0845 231.733 GPRESSURE: 38400 -4.38113 183.48 -31.6302 103.511 84.132 21.1254 -30.5311 78.7746 259.386 PRESSAVG: 38400 -41.4305 59.4148 20.8594 59.4148 54.2614 -26.1717 20.8594 -26.1718 -16.9613 GPRESSAVG: 38400 -42.5261 57.5563 21.3848 61.8815 54.9377 -27.6087 20.0142 -26.1232 -16.623 TIMING: 38400 CPU: 114.549, 0.00300029/step Wall: 114.549, 0.00300029/step, 4.13506 hours remaining, 199.648438 MB of memory in use. ENERGY: 38400 703.5489 2123.6725 1952.0194 112.6973 -206466.8754 17984.6660 0.0000 0.0000 34382.1686 -149208.1028 300.2680 -183590.2713 -149102.2396 299.6279 83.2550 113.0455 558051.3064 -1.3768 -1.4038 PRESSURE: 38600 -78.7545 -79.3849 60.7636 -79.3853 209.412 -190.332 60.7636 -190.331 10.1091 GPRESSURE: 38600 -84.3437 -116.543 -14.3095 -26.2509 208.048 -174.838 72.2233 -210.468 110.441 PRESSAVG: 38600 -61.0507 34.2194 3.28514 34.2194 21.6 14.9693 3.28526 14.9693 -32.4793 GPRESSAVG: 38600 -60.3647 34.4686 2.56009 35.2865 19.8344 14.0484 4.28366 14.7895 -31.8991 TIMING: 38600 CPU: 115.151, 0.00300768/step Wall: 115.151, 0.00300768/step, 4.14508 hours remaining, 199.648438 MB of memory in use. ENERGY: 38600 705.1457 2111.0563 1943.1023 118.7304 -206104.9430 17817.8070 0.0000 0.0000 34300.0071 -149109.0942 299.5505 -183409.1013 -149020.2899 299.7090 46.9223 78.0485 557182.5877 -23.9766 -24.1431 PRESSURE: 38800 -106.182 -47.3977 46.3208 -47.3988 -64.9853 148.536 46.3209 148.536 -106.134 GPRESSURE: 38800 -41.2711 -38.2649 -11.1629 -65.0292 -73.2724 135.992 23.4598 162.9 -64.0634 PRESSAVG: 38800 2.22243 -1.80452 73.8052 -1.80448 -10.3194 5.76244 73.8052 5.76256 6.61016 GPRESSAVG: 38800 1.97785 -1.55622 74.8176 -2.76088 -9.64421 6.91821 72.9218 6.10624 6.36696 TIMING: 38800 CPU: 115.747, 0.00298284/step Wall: 115.747, 0.00298284/step, 4.11069 hours remaining, 199.648438 MB of memory in use. ENERGY: 38800 769.5631 2102.0438 1914.7916 111.8627 -206245.2651 17783.0317 0.0000 0.0000 34239.9817 -149323.9905 299.0263 -183563.9722 -149223.8125 299.0685 -92.4338 -59.5356 556556.1578 -0.4956 -0.4331 PRESSURE: 39000 -159.263 -161.585 17.9091 -161.586 -240.864 163.694 17.9091 163.693 -0.488644 GPRESSURE: 39000 -73.9208 -148.398 78.8218 -115.216 -222.698 184.05 33.4696 83.8251 4.2925 PRESSAVG: 39000 4.0079 -12.6798 13.1204 -12.6798 17.8915 32.4003 13.1205 32.4005 6.23148 GPRESSAVG: 39000 4.55755 -10.8233 13.7878 -13.5438 17.163 32.5891 11.8527 31.0924 6.42717 TIMING: 39000 CPU: 116.341, 0.00296653/step Wall: 116.341, 0.00296653/step, 4.08804 hours remaining, 199.648438 MB of memory in use. ENERGY: 39000 734.8198 2079.5802 1954.1863 120.9143 -205884.3077 17550.5711 0.0000 0.0000 34180.3180 -149263.9180 298.5052 -183444.2360 -149173.8320 299.3276 -133.5384 -97.4422 556609.0044 9.3770 9.3826 PRESSURE: 39200 113.469 26.596 -15.9255 26.597 257.104 55.528 -15.9249 55.5279 79.5708 GPRESSURE: 39200 95.9705 -47.2192 18.6668 -3.32575 263.358 4.76991 -179.141 6.61502 174.699 PRESSAVG: 39200 -10.8284 16.3354 -32.8404 16.3354 -34.5909 -17.3113 -32.8405 -17.3113 12.7509 GPRESSAVG: 39200 -11.0514 15.9375 -34.5349 15.3887 -33.7251 -17.8056 -30.9906 -13.4142 11.7045 TIMING: 39200 CPU: 116.935, 0.00297279/step Wall: 116.935, 0.00297279/step, 4.09651 hours remaining, 199.648438 MB of memory in use. ENERGY: 39200 707.6979 2145.0493 1919.4366 110.0142 -206341.5219 18003.5467 0.0000 0.0000 34384.3820 -149071.3953 300.2874 -183455.7773 -148975.8651 299.8574 150.0480 178.0091 556796.2528 -10.8895 -11.0240 PRESSURE: 39400 209.437 23.384 -100.024 23.3844 12.0487 -49.3844 -100.023 -49.3841 139.125 GPRESSURE: 39400 226.917 95.7672 -99.0194 -48.174 74.814 -43.7439 -153.548 -41.5766 157.934 PRESSAVG: 39400 -25.4632 10.1117 -19.4766 10.1118 -28.6494 0.436299 -19.4766 0.436414 29.1297 GPRESSAVG: 39400 -23.7894 9.90365 -19.8362 9.6098 -28.432 -0.21362 -18.3184 -1.67874 27.6956 TIMING: 39400 CPU: 117.528, 0.00296321/step Wall: 117.528, 0.00296321/step, 4.08313 hours remaining, 199.648438 MB of memory in use. ENERGY: 39400 685.6846 2139.2142 1940.9105 113.8720 -206558.5844 17909.2001 0.0000 0.0000 34533.2980 -149236.4051 301.5879 -183769.7031 -149137.9178 298.9856 120.2035 153.2217 556110.8827 -8.3276 -8.1753 PRESSURE: 39600 -303.297 -71.4354 86.1647 -71.4348 -141.24 92.8406 86.1653 92.8404 -53.9818 GPRESSURE: 39600 -292.938 -83.0722 39.9814 -94.2417 -121.578 115.378 80.8332 118.635 6.62353 PRESSAVG: 39600 49.8179 -32.2293 -57.5828 -32.2293 10.9289 42.1397 -57.5828 42.1396 -45.039 GPRESSAVG: 39600 47.9222 -31.9439 -57.4007 -29.5542 11.2633 41.3836 -59.5313 42.9284 -43.4667 TIMING: 39600 CPU: 118.119, 0.002958/step Wall: 118.119, 0.002958/step, 4.0758 hours remaining, 199.648438 MB of memory in use. ENERGY: 39600 762.4930 2059.7024 1911.2700 111.9899 -205784.0194 17529.6880 0.0000 0.0000 34085.2962 -149323.5798 297.6754 -183408.8761 -149227.5468 299.0862 -166.1731 -135.9643 558564.9154 5.2359 5.2396 PRESSURE: 39800 -224.978 -24.4433 8.69076 -24.4427 -72.2568 -58.4679 8.6899 -58.4667 151.189 GPRESSURE: 39800 -129.725 -24.0082 2.12256 -54.2287 -98.2626 -88.4977 -82.6336 70.7394 177.713 PRESSAVG: 39800 22.9566 -30.8702 -21.5272 -30.8702 -101.397 26.616 -21.5272 26.6158 52.3309 GPRESSAVG: 39800 23.5102 -30.628 -19.3251 -33.6276 -101.828 25.7003 -21.42 28.0437 51.9491 TIMING: 39800 CPU: 118.712, 0.00296238/step Wall: 118.712, 0.00296238/step, 4.08167 hours remaining, 199.648438 MB of memory in use. ENERGY: 39800 765.9762 2083.1584 1911.8882 123.7555 -206258.4230 17748.6576 0.0000 0.0000 34177.7318 -149447.2553 298.4826 -183624.9871 -149348.3177 299.1121 -48.6819 -16.7583 556806.2903 -8.7032 -8.7896 PRESSURE: 40000 280.125 98.1049 -17.6113 98.1058 -72.2086 81.2282 -17.6105 81.23 -5.21496 GPRESSURE: 40000 309.768 -44.5317 70.7062 232.592 -23.8284 125.823 18.5712 -16.235 14.334 PRESSAVG: 40000 26.9447 19.68 -59.4006 19.68 -38.7863 27.802 -59.4006 27.8022 41.7392 GPRESSAVG: 40000 26.9205 19.6939 -61.7498 21.3265 -38.1212 28.7436 -55.9172 26.4988 41.5171 TIMING: 40000 CPU: 119.301, 0.00294643/step Wall: 119.301, 0.00294643/step, 4.05953 hours remaining, 199.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 40000 773.7730 2114.7800 1935.7991 119.9903 -206674.0845 18053.8214 0.0000 0.0000 34295.4833 -149380.4374 299.5110 -183675.9207 -149280.4107 299.2420 67.5672 100.0912 556298.5989 9.9658 10.1055 PRESSURE: 40200 53.1906 85.8197 24.6761 85.82 -274.167 18.1123 24.6767 18.1124 156.476 GPRESSURE: 40200 56.283 26.5415 37.2613 52.5511 -144.677 -4.45526 50.0681 39.1775 130.447 PRESSAVG: 40200 10.627 7.22876 -12.5522 7.22882 -36.9099 -4.60062 -12.5522 -4.60057 -4.20714 GPRESSAVG: 40200 10.5989 9.03217 -13.4588 5.98233 -37.1276 -2.76705 -15.1637 -3.87512 -4.49451 TIMING: 40200 CPU: 119.89, 0.00294263/step Wall: 119.89, 0.00294263/step, 4.05413 hours remaining, 199.648438 MB of memory in use. ENERGY: 40200 718.4627 2080.1997 1934.0139 104.3386 -206235.9399 17768.5959 0.0000 0.0000 34229.2152 -149401.1139 298.9322 -183630.3292 -149301.9943 298.9108 -21.5000 14.0178 557538.0430 -10.1633 -10.3411 LDB: ============= START OF LOAD BALANCING ============== 123.435 LDB: ============== END OF LOAD BALANCING =============== 123.435 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 123.437 LDB: ============= START OF LOAD BALANCING ============== 123.736 LDB: Largest compute 4796 load 0.029484 is 25.0% of average load 0.117840 LDB: Average compute 0.001741 is 1.5% of average load 0.117840 LDB: TIME 123.738 LOAD: AVG 0.11784 MAX 0.208763 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 198.934 MB LDB: TIME 123.739 LOAD: AVG 0.11784 MAX 0.208763 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.934 MB LDB: TIME 123.739 LOAD: AVG 0.11784 MAX 0.208763 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.934 MB LDB: ============== END OF LOAD BALANCING =============== 123.741 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 123.745 PRESSURE: 40400 -260.239 204.376 112.468 204.375 44.7915 11.7735 112.469 11.7726 217.257 GPRESSURE: 40400 -157.396 42.7547 163.576 292.942 59.8315 23.202 65.1532 55.435 187.91 PRESSAVG: 40400 -38.9114 43.4971 -35.1954 43.4972 50.386 -27.8559 -35.1955 -27.8559 37.1363 GPRESSAVG: 40400 -37.6072 40.9423 -32.1093 46.1582 50.7551 -30.4843 -37.6314 -27.8523 35.5229 TIMING: 40400 CPU: 120.495, 0.00302599/step Wall: 120.495, 0.00302599/step, 4.1688 hours remaining, 199.832031 MB of memory in use. ENERGY: 40400 760.2325 2089.8113 1945.1238 119.6140 -206275.3672 17821.7261 0.0000 0.0000 34313.7892 -149225.0701 299.6709 -183538.8593 -149118.2067 299.2368 0.6031 30.1154 556357.0353 16.2036 16.2236 PRESSURE: 40600 215.142 -20.1075 41.0925 -20.1074 -287.555 -111.216 41.0944 -111.217 -38.3507 GPRESSURE: 40600 205.261 68.5339 100.877 9.39261 -219.581 -114.156 50.3282 -79.6223 4.68871 PRESSAVG: 40600 -20.044 11.6524 -11.2843 11.6523 -16.3425 -42.7774 -11.2843 -42.7774 70.5869 GPRESSAVG: 40600 -21.7731 11.1448 -12.3188 11.9 -16.1237 -43.7649 -7.23586 -43.0158 72.1814 TIMING: 40600 CPU: 121.087, 0.00296208/step Wall: 121.087, 0.00296208/step, 4.08059 hours remaining, 199.832031 MB of memory in use. ENERGY: 40600 731.6385 2113.3536 1940.1698 105.2138 -206021.6861 17471.7636 0.0000 0.0000 34502.4901 -149157.0566 301.3188 -183659.5467 -149051.0484 299.1604 -36.9213 -3.2103 555985.0862 11.4002 11.4282 PRESSURE: 40800 9.71959 99.2381 -129.119 99.2378 284.468 -24.7977 -129.119 -24.7978 60.6797 GPRESSURE: 40800 41.3694 125.4 -93.058 93.9349 318.756 -80.9013 -132.984 31.7357 82.1472 PRESSAVG: 40800 19.4076 48.4422 18.1563 48.4423 48.6211 -26.471 18.1563 -26.471 -45.0886 GPRESSAVG: 40800 19.3103 49.4454 19.4462 45.9021 47.9875 -24.7518 16.1523 -25.5537 -44.8812 TIMING: 40800 CPU: 121.676, 0.00294552/step Wall: 121.676, 0.00294552/step, 4.05762 hours remaining, 199.832031 MB of memory in use. ENERGY: 40800 778.2904 2061.3913 1959.6585 114.3763 -206438.5408 18163.8379 0.0000 0.0000 34189.8574 -149171.1290 298.5885 -183360.9864 -149074.8177 300.0586 118.2892 147.4242 556916.5550 7.6467 7.4722 PRESSURE: 41000 -68.5411 25.9606 -130.073 25.9615 -240.015 -85.7259 -130.072 -85.7258 -113.314 GPRESSURE: 41000 -24.5715 -10.0945 -210.804 75.0154 -195.07 -59.9414 -59.5694 -3.86447 -121.62 PRESSAVG: 41000 27.7264 49.5939 51.8227 49.5938 20.7733 10.8075 51.8227 10.8075 -13.9653 GPRESSAVG: 41000 28.7011 48.5822 50.5288 51.2695 20.4783 11.1841 50.9384 9.42347 -14.6594 TIMING: 41000 CPU: 122.272, 0.0029781/step Wall: 122.272, 0.0029781/step, 4.10233 hours remaining, 199.832031 MB of memory in use. ENERGY: 41000 732.6223 2116.4123 1930.4850 113.0460 -206204.6099 17647.9857 0.0000 0.0000 34388.7392 -149275.3193 300.3254 -183664.0585 -149170.1710 299.0350 -140.6233 -113.7539 558129.8510 11.5115 11.5067 PRESSURE: 41200 -579.143 -163.307 47.0834 -163.306 -333.779 105.462 47.0829 105.463 -316.929 GPRESSURE: 41200 -533.062 -96.7563 96.9449 -197.347 -339.202 166.376 -8.16795 41.0348 -246.778 PRESSAVG: 41200 -7.0675 -3.74222 15.1035 -3.74204 92.8631 -31.7199 15.1035 -31.7198 -67.4586 GPRESSAVG: 41200 -7.44858 -2.62897 15.0201 -4.02131 93.2737 -30.9498 16.8778 -33.3876 -67.1309 TIMING: 41200 CPU: 122.874, 0.00301022/step Wall: 122.874, 0.00301022/step, 4.14641 hours remaining, 199.832031 MB of memory in use. ENERGY: 41200 779.8655 2144.1163 1933.0535 117.8735 -205608.1773 17189.1315 0.0000 0.0000 34277.7966 -149166.3404 299.3565 -183444.1369 -149073.4178 299.5228 -409.9502 -373.0140 558138.8073 6.1123 6.2314 PRESSURE: 41400 208.669 -119.168 -8.43938 -119.167 219.23 -63.0067 -8.43946 -63.0062 126.412 GPRESSURE: 41400 235.915 -198.679 -44.6989 -75.3973 231.299 -63.1636 2.25019 3.68466 163.041 PRESSAVG: 41400 9.4649 -14.1592 43.7623 -14.1592 9.32976 -25.1722 43.7623 -25.1721 -63.5279 GPRESSAVG: 41400 8.89837 -14.6075 44.688 -15.7 9.08951 -26.9018 42.2799 -22.9865 -63.29 TIMING: 41400 CPU: 123.478, 0.00301824/step Wall: 123.478, 0.00301824/step, 4.15729 hours remaining, 199.832031 MB of memory in use. ENERGY: 41400 752.2238 2073.6268 1944.8241 115.3065 -206602.1300 18073.8922 0.0000 0.0000 34402.7320 -149239.5246 300.4476 -183642.2566 -149145.7875 299.7713 184.7700 210.0848 555755.3912 -14.9111 -15.1007 PRESSURE: 41600 -56.9704 152.508 33.4486 152.509 -194.074 -55.3277 33.4469 -55.3296 -90.3895 GPRESSURE: 41600 -41.5585 53.9728 30.2144 329.614 -150.514 34.6104 49.4277 -110.968 -37.0835 PRESSAVG: 41600 -19.4165 -34.197 6.31148 -34.197 58.6874 -56.6097 6.31145 -56.6096 -21.6476 GPRESSAVG: 41600 -19.3085 -35.1243 7.04009 -31.2241 58.1567 -55.832 5.32754 -57.4516 -21.0147 TIMING: 41600 CPU: 124.076, 0.00299148/step Wall: 124.076, 0.00299148/step, 4.12026 hours remaining, 199.890625 MB of memory in use. ENERGY: 41600 755.9224 2073.3677 1911.7703 117.3577 -206245.5340 17591.6056 0.0000 0.0000 34375.2115 -149420.2987 300.2073 -183795.5102 -149321.0904 299.4936 -113.8112 -76.3853 557590.3103 5.8745 5.9445 PRESSURE: 41800 -168.045 -129.336 45.5597 -129.337 -335.851 0.770393 45.5602 0.769897 -123.068 GPRESSURE: 41800 -142.874 -197.327 75.6762 -69.0112 -299.93 -15.1584 3.40494 -20.9944 -94.5007 PRESSAVG: 41800 15.05 10.2395 -2.2923 10.2395 -65.6495 -17.7138 -2.29231 -17.7138 73.204 GPRESSAVG: 41800 14.4393 12.1032 -2.87479 9.41396 -65.0428 -17.16 -0.842847 -19.8843 72.9129 TIMING: 41800 CPU: 124.676, 0.00299968/step Wall: 124.676, 0.00299968/step, 4.13139 hours remaining, 199.890625 MB of memory in use. ENERGY: 41800 773.0220 2085.0880 1924.9878 113.9839 -205835.5448 17541.0218 0.0000 0.0000 34121.7447 -149275.6966 297.9937 -183397.4414 -149176.0340 298.8670 -208.9881 -179.1016 557663.7864 7.5348 7.4365 PRESSURE: 42000 -40.5868 -59.8696 -0.603708 -59.8694 11.9416 -70.2104 -0.605831 -70.2128 121.292 GPRESSURE: 42000 -98.3867 -10.0867 50.0886 -95.3793 117.196 -99.6505 -25.9189 -93.1531 167.289 PRESSAVG: 42000 -43.3725 -38.1436 -28.4441 -38.1436 20.5643 20.784 -28.4441 20.7839 72.2353 GPRESSAVG: 42000 -43.7529 -38.6662 -28.7472 -38.039 21.5352 23.4113 -28.2504 22.2098 71.5047 TIMING: 42000 CPU: 125.265, 0.0029471/step Wall: 125.265, 0.0029471/step, 4.05881 hours remaining, 199.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 42000 797.9629 2110.2586 1959.4076 124.2360 -206470.7528 18008.7574 0.0000 0.0000 34377.3941 -149092.7363 300.2263 -183470.1304 -149010.0720 299.3765 30.8822 62.0326 556048.4366 16.4757 16.4290 PRESSURE: 42200 20.3138 -39.221 104.982 -39.2203 -97.0137 58.7115 104.983 58.712 176.055 GPRESSURE: 42200 79.6868 -31.0145 99.4864 -30.934 -25.0812 29.1081 114.681 68.6021 148.915 PRESSAVG: 42200 -0.0880532 21.1847 38.6412 21.1847 -33.4256 -12.5423 38.6412 -12.5424 -7.72454 GPRESSAVG: 42200 1.26557 20.1169 40.3707 20.4156 -34.2614 -15.0998 38.6159 -11.6858 -7.54466 TIMING: 42200 CPU: 125.858, 0.0029614/step Wall: 125.858, 0.0029614/step, 4.07834 hours remaining, 199.890625 MB of memory in use. ENERGY: 42200 743.3171 2082.5403 1923.9387 107.0199 -206083.1125 17864.1420 0.0000 0.0000 34210.3664 -149151.7882 298.7676 -183362.1546 -149054.0866 299.6117 33.1182 67.8402 556985.8262 -13.7461 -13.5135 PRESSURE: 42400 -87.8668 161.657 50.8784 161.656 -35.0987 18.4608 50.8795 18.4612 -197.975 GPRESSURE: 42400 -68.6013 196.117 -0.446077 84.3359 -2.69211 15.9382 21.8751 19.4841 -155.87 PRESSAVG: 42400 59.1434 6.74496 19.8386 6.7449 14.2884 -31.2878 19.8385 -31.2879 -48.3668 GPRESSAVG: 42400 59.2335 9.05788 16.8245 6.55908 14.7295 -30.8826 19.3563 -32.7793 -48.9936 TIMING: 42400 CPU: 126.446, 0.00293919/step Wall: 126.446, 0.00293919/step, 4.04759 hours remaining, 200.125000 MB of memory in use. ENERGY: 42400 730.8494 2183.4538 1927.0059 114.2284 -206109.8443 17735.3030 0.0000 0.0000 34217.1442 -149201.8597 298.8268 -183419.0039 -149107.8715 299.5485 -106.9801 -75.7212 557029.2363 8.3550 8.3231 PRESSURE: 42600 2.28716 -46.4575 -78.7193 -46.4575 28.6171 -129.052 -78.7185 -129.053 174.1 GPRESSURE: 42600 26.6529 -96.1518 -95.2681 -81.8107 35.9729 -69.3839 -124.622 -167.205 238.441 PRESSAVG: 42600 -12.0259 30.7089 40.6003 30.7089 -16.2289 13.1248 40.6004 13.1248 34.9339 GPRESSAVG: 42600 -12.9682 30.7881 42.1518 30.725 -16.3982 11.8507 39.6497 13.1288 35.5195 TIMING: 42600 CPU: 127.04, 0.00296998/step Wall: 127.04, 0.00296998/step, 4.08983 hours remaining, 200.125000 MB of memory in use. ENERGY: 42600 718.6915 2091.6043 1928.0517 111.6583 -206038.0978 17774.1482 0.0000 0.0000 34222.4585 -149191.4853 298.8732 -183413.9438 -149089.7730 299.0635 68.3347 100.3555 557260.8397 2.2264 2.0510 PRESSURE: 42800 114.052 -43.9501 212.372 -43.9511 -40.5205 182.232 212.371 182.233 -87.525 GPRESSURE: 42800 162.953 -58.1489 211.886 -117.08 27.1117 84.9308 168.114 186.871 -103.041 PRESSAVG: 42800 25.9374 -35.1778 -33.4793 -35.1777 -101.28 -47.0096 -33.4792 -47.0096 89.1909 GPRESSAVG: 42800 25.9783 -35.5583 -35.4982 -36.7258 -101.163 -46.1375 -30.9026 -47.1773 88.8887 TIMING: 42800 CPU: 127.631, 0.00295746/step Wall: 127.631, 0.00295746/step, 4.07242 hours remaining, 200.125000 MB of memory in use. ENERGY: 42800 683.0709 2043.5855 1938.9522 116.6080 -206180.3937 17721.7108 0.0000 0.0000 34319.4142 -149357.0520 299.7200 -183676.4662 -149258.8955 298.5895 -4.6645 29.0077 556622.3671 4.6161 4.5681 PRESSURE: 43000 -3.16834 -38.7603 78.6184 -38.7605 83.7198 49.7237 78.6186 49.7232 -158.921 GPRESSURE: 43000 45.385 -9.17522 37.3199 -70.0973 144.991 42.2464 163.672 11.9646 -166.738 PRESSAVG: 43000 63.589 -16.595 28.1278 -16.595 -20.7975 28.7306 28.1278 28.7307 -56.3012 GPRESSAVG: 43000 63.9977 -18.1059 30.0612 -15.7204 -21.3709 30.5292 28.0854 29.4902 -56.2075 TIMING: 43000 CPU: 128.227, 0.00297758/step Wall: 128.227, 0.00297758/step, 4.09996 hours remaining, 200.125000 MB of memory in use. ENERGY: 43000 748.1290 2102.0513 1912.1305 106.6236 -206244.1224 17890.5588 0.0000 0.0000 34289.2787 -149195.3506 299.4568 -183484.6293 -149106.6680 299.1196 -26.1232 7.8793 559317.3744 -4.5032 -4.5269 PRESSURE: 43200 -21.9663 100.949 -147.987 100.951 99.7576 27.3225 -147.987 27.3229 141.421 GPRESSURE: 43200 -63.8833 76.4293 -85.2828 88.9746 144.253 25.937 -175.461 77.3564 232.351 PRESSAVG: 43200 -17.9343 30.0456 7.15998 30.0456 26.255 11.4561 7.15998 11.456 -31.0946 GPRESSAVG: 43200 -18.5953 32.0694 7.76327 30.0249 26.9759 12.8491 5.47704 11.8911 -30.3576 TIMING: 43200 CPU: 128.821, 0.00297116/step Wall: 128.821, 0.00297116/step, 4.09096 hours remaining, 200.125000 MB of memory in use. ENERGY: 43200 699.7943 2068.0746 1965.9980 96.3836 -206738.9238 18140.0110 0.0000 0.0000 34464.0684 -149304.5939 300.9833 -183768.6623 -149205.8671 299.4275 73.0709 104.2401 558005.7829 -7.5913 -7.3256 PRESSURE: 43400 13.7655 -113.758 204.527 -113.759 -195.533 -90.196 204.527 -90.1967 -296.612 GPRESSURE: 43400 64.9959 -80.3595 218.215 -194.472 -178.076 -65.7161 183.905 -130.139 -249.936 PRESSAVG: 43400 0.712267 58.3869 16.0284 58.387 36.926 6.00412 16.0284 6.00411 -15.0351 GPRESSAVG: 43400 1.76332 57.3582 16.075 58.7545 37.7578 3.09879 16.7618 5.85507 -17.4176 TIMING: 43400 CPU: 129.415, 0.00296978/step Wall: 129.415, 0.00296978/step, 4.0889 hours remaining, 200.125000 MB of memory in use. ENERGY: 43400 736.7221 2114.7186 1940.6938 112.9786 -205845.9100 17533.8884 0.0000 0.0000 34207.5558 -149199.3527 298.7431 -183406.9085 -149103.6553 299.0841 -159.4600 -121.0054 557531.4892 7.5344 7.3678 PRESSURE: 43600 92.4973 -106.476 -34.8614 -106.475 -26.4743 65.7027 -34.8622 65.7027 -213.834 GPRESSURE: 43600 124.661 -103.847 33.6656 -119.31 -20.0264 34.19 -51.6661 39.3526 -144.426 PRESSAVG: 43600 -0.593479 7.79352 28.1843 7.79352 -9.89094 0.395738 28.1844 0.395739 -1.67828 GPRESSAVG: 43600 -0.638211 9.67441 28.8477 5.46247 -11.394 0.196537 25.8347 -0.476822 -0.041377 TIMING: 43600 CPU: 130.019, 0.00302134/step Wall: 130.019, 0.00302134/step, 4.15972 hours remaining, 200.125000 MB of memory in use. ENERGY: 43600 704.8886 2045.3076 1912.7802 118.9063 -205987.4078 17577.3388 0.0000 0.0000 34335.4979 -149292.6884 299.8604 -183628.1863 -149193.8369 299.5983 -49.2703 -13.2638 557195.2246 -4.0542 -4.0245 PRESSURE: 43800 -66.5737 67.2066 -102.583 67.2064 74.8184 -27.176 -102.584 -27.1775 -188.326 GPRESSURE: 43800 -69.9941 49.6819 -27.5617 98.6193 98.8642 -75.1857 -182.261 -30.7703 -98.4698 PRESSAVG: 43800 69.0248 -27.6527 4.00893 -27.6526 -12.334 -5.47879 4.00898 -5.47866 -15.4251 GPRESSAVG: 43800 68.1533 -29.3501 5.15693 -24.4824 -12.0829 -5.10152 4.98939 -4.76587 -14.5767 TIMING: 43800 CPU: 130.626, 0.00303618/step Wall: 130.626, 0.00303618/step, 4.17998 hours remaining, 200.125000 MB of memory in use. ENERGY: 43800 713.3049 2085.0280 1944.9139 108.0609 -206155.8986 17619.6166 0.0000 0.0000 34392.9676 -149292.0066 300.3623 -183684.9743 -149190.7516 299.1013 -60.0270 -23.1999 557121.1056 13.7552 13.8312 PRESSURE: 44000 -121.622 76.0538 5.63339 76.0545 117.912 232.275 5.63435 232.274 37.7458 GPRESSURE: 44000 -70.8442 64.0722 25.9748 49.7537 142.37 131.093 68.6647 267.796 51.1094 PRESSAVG: 44000 1.26893 32.2594 -8.63347 32.2594 -1.96917 43.1851 -8.63339 43.185 12.9104 GPRESSAVG: 44000 1.3319 32.6312 -8.98274 31.9845 -1.41875 41.9175 -9.79976 43.9836 12.8094 TIMING: 44000 CPU: 131.224, 0.00299094/step Wall: 131.224, 0.00299094/step, 4.11752 hours remaining, 200.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 44000 685.7833 2072.0326 1930.9539 120.4295 -206164.8245 17744.8265 0.0000 0.0000 34442.9006 -149167.8981 300.7984 -183610.7987 -149072.5767 299.2082 11.3453 40.8784 557475.6210 4.0701 4.2409 PRESSURE: 44200 26.5741 99.8824 47.3962 99.8827 -83.5364 71.7149 47.3967 71.7145 -40.3239 GPRESSURE: 44200 80.2615 24.4244 42.137 118.401 -42.3212 87.1382 11.5197 41.8827 -31.0538 PRESSAVG: 44200 7.05307 3.88391 23.455 3.884 -19.2639 28.8866 23.455 28.8865 27.1627 GPRESSAVG: 44200 8.1347 4.13298 22.7377 2.98031 -19.6375 30.3334 24.5883 27.9301 26.5868 TIMING: 44200 CPU: 131.822, 0.00298605/step Wall: 131.822, 0.00298605/step, 4.11062 hours remaining, 200.125000 MB of memory in use. ENERGY: 44200 731.7917 2059.0271 1931.7761 111.1047 -205603.4857 17472.9949 0.0000 0.0000 34196.1873 -149100.6039 298.6438 -183296.7912 -149012.3267 299.1043 -32.4287 2.2955 555666.7696 4.9840 5.0280 LDB: ============= START OF LOAD BALANCING ============== 135.373 LDB: ============== END OF LOAD BALANCING =============== 135.373 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 135.375 LDB: ============= START OF LOAD BALANCING ============== 135.676 LDB: Largest compute 4796 load 0.028781 is 24.4% of average load 0.117855 LDB: Average compute 0.001734 is 1.5% of average load 0.117855 LDB: TIME 135.678 LOAD: AVG 0.117855 MAX 0.207892 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 200.316 MB LDB: TIME 135.679 LOAD: AVG 0.117855 MAX 0.207892 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.387 MB LDB: TIME 135.679 LOAD: AVG 0.117855 MAX 0.207892 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.387 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 135.681 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 135.685 PRESSURE: 44400 -166.764 -26.0605 -144.205 -26.0597 -30.7427 -55.403 -144.205 -55.4021 -38.2761 GPRESSURE: 44400 -124.375 -23.1768 -123.046 -55.6131 -40.2517 -42.5912 -162.032 -75.6719 22.8168 PRESSAVG: 44400 -35.3712 -5.74688 -12.403 -5.74697 35.8412 -4.17789 -12.403 -4.17784 26.7295 GPRESSAVG: 44400 -34.5474 -5.77186 -13.9202 -5.54586 35.098 -4.91355 -10.8246 -3.65435 26.4547 TIMING: 44400 CPU: 132.435, 0.00306481/step Wall: 132.435, 0.00306481/step, 4.21888 hours remaining, 199.320312 MB of memory in use. ENERGY: 44400 761.8037 2044.2240 1940.0958 109.4089 -205790.4922 17679.4295 0.0000 0.0000 34115.2405 -149140.2897 297.9369 -183255.5303 -149044.2549 299.3418 -78.5942 -47.2700 556680.0532 9.0665 9.0018 PRESSURE: 44600 -51.4007 -35.7181 37.3166 -35.7178 151.199 -49.0251 37.3167 -49.0276 -266.806 GPRESSURE: 44600 3.51691 9.79576 54.8133 -10.6274 201.025 -27.3964 -50.2123 -88.0124 -261.924 PRESSAVG: 44600 -8.07754 -11.0795 -34.3306 -11.0795 -18.8093 -0.592208 -34.3306 -0.592141 12.7902 GPRESSAVG: 44600 -8.60898 -11.7515 -33.6402 -11.1227 -18.2778 3.01501 -36.3116 -2.4838 13.2213 TIMING: 44600 CPU: 133.037, 0.0030103/step Wall: 133.037, 0.0030103/step, 4.14368 hours remaining, 199.519531 MB of memory in use. ENERGY: 44600 742.5064 2083.7901 1904.1541 111.4237 -205846.0083 17636.9342 0.0000 0.0000 34223.8869 -149143.3129 298.8857 -183367.1998 -149057.4890 299.9233 -55.6693 -19.1276 556540.1528 -4.6989 -4.5552 PRESSURE: 44800 -26.7044 116.715 25.9628 116.713 152.109 236.289 25.9635 236.291 189.293 GPRESSURE: 44800 -65.1693 130.782 67.7266 86.8186 240.153 241.942 -9.00575 274.921 241.919 PRESSAVG: 44800 46.8605 2.8879 -43.8372 2.88791 7.13824 -37.8095 -43.8372 -37.8095 -17.3502 GPRESSAVG: 44800 45.9304 3.104 -40.6543 1.25293 7.90472 -42.1227 -44.1515 -35.8768 -16.9079 TIMING: 44800 CPU: 133.638, 0.00300503/step Wall: 133.638, 0.00300503/step, 4.13625 hours remaining, 199.519531 MB of memory in use. ENERGY: 44800 730.3471 2000.3974 1956.3117 115.9720 -206354.4340 17761.6741 0.0000 0.0000 34655.5047 -149134.2268 302.6551 -183789.7315 -149045.3952 299.9433 104.8995 138.9678 555387.4193 12.2162 12.3091 PRESSURE: 45000 -135.849 -128.146 -213.71 -128.146 -170.068 -12.269 -213.709 -12.2711 75.0048 GPRESSURE: 45000 -142.723 -152.954 -323.705 -92.5866 -78.6568 45.4803 -115.624 -33.6086 88.432 PRESSAVG: 45000 -61.4879 19.1665 -73.9171 19.1665 -11.2844 20.3592 -73.917 20.3592 88.6192 GPRESSAVG: 45000 -60.8247 18.7781 -75.8694 20.8806 -11.3935 21.4207 -73.8093 19.2231 87.935 TIMING: 45000 CPU: 134.234, 0.00298122/step Wall: 134.234, 0.00298122/step, 4.10331 hours remaining, 199.519531 MB of memory in use. ENERGY: 45000 766.9347 2045.8402 1928.6779 112.9348 -206273.8920 17805.1348 0.0000 0.0000 34426.1708 -149188.1987 300.6523 -183614.3696 -149094.4564 299.9341 -76.9707 -44.3161 557264.4610 5.2823 5.2390 PRESSURE: 45200 25.2919 81.358 -34.5456 81.3603 -304.53 40.4756 -34.5468 40.4752 -85.8098 GPRESSURE: 45200 69.1102 65.21 -46.8911 119.71 -230.512 126.626 -23.7475 -10.7714 -100.466 PRESSAVG: 45200 -54.1036 -41.0629 -42.5064 -41.0628 79.0037 10.5627 -42.5064 10.5626 -19.2424 GPRESSAVG: 45200 -55.5378 -42.57 -43.1097 -40.9805 79.5667 11.4798 -41.293 10.0711 -18.344 TIMING: 45200 CPU: 134.827, 0.00296688/step Wall: 134.827, 0.00296688/step, 4.08341 hours remaining, 199.519531 MB of memory in use. ENERGY: 45200 741.0743 2079.5904 1937.3180 116.2982 -205864.8926 17700.7870 0.0000 0.0000 34118.3544 -149171.4703 297.9641 -183289.8248 -149076.0519 299.8707 -121.6825 -87.2892 557218.8348 1.8859 1.8950 PRESSURE: 45400 -117.558 283.364 -16.4778 283.365 189.459 -4.38136 -16.4782 -4.38329 -36.2347 GPRESSURE: 45400 -186.622 164.375 -58.8093 258.867 260.261 -19.5267 -18.4836 5.09594 65.3462 PRESSAVG: 45400 -68.1071 1.64394 -0.141858 1.64398 18.912 28.8273 -0.14189 28.8274 13.1711 GPRESSAVG: 45400 -68.172 3.76819 -1.32707 0.772083 17.8084 28.6173 0.979752 28.9873 14.0845 TIMING: 45400 CPU: 135.423, 0.002979/step Wall: 135.423, 0.002979/step, 4.09993 hours remaining, 199.519531 MB of memory in use. ENERGY: 45400 724.7825 2140.5176 1922.5984 109.6309 -206206.4471 17819.0328 0.0000 0.0000 34298.1487 -149191.7362 299.5343 -183489.8848 -149094.7975 299.8890 11.8886 46.3283 556602.8576 -12.0080 -12.0930 PRESSURE: 45600 -260.659 -0.0233817 -187.241 -0.0230058 132.214 194.555 -187.24 194.555 17.0616 GPRESSURE: 45600 -211.004 131.167 -128.759 -40.0665 151.871 212.953 -213.555 193.198 51.9156 PRESSAVG: 45600 -6.83582 12.6238 -14.2016 12.6237 31.9003 -8.75189 -14.2015 -8.75191 12.1108 GPRESSAVG: 45600 -5.84212 12.5777 -12.2697 12.2502 32.1706 -9.06726 -15.1515 -8.99225 11.9178 TIMING: 45600 CPU: 136.016, 0.0029664/step Wall: 136.016, 0.0029664/step, 4.08242 hours remaining, 199.519531 MB of memory in use. ENERGY: 45600 795.2894 2090.8495 1908.1989 120.6451 -206279.5559 17899.6974 0.0000 0.0000 34338.0793 -149126.7962 299.8830 -183464.8755 -149034.2857 299.3204 -37.1277 -2.4057 558026.0427 12.3917 12.7488 PRESSURE: 45800 -36.552 102.268 -94.8201 102.267 35.3878 -143.596 -94.8205 -143.596 7.94135 GPRESSURE: 45800 -40.5278 114.06 -110.153 95.8344 133.316 -159.78 -73.3574 -180.114 18.3608 PRESSAVG: 45800 -26.9902 67.5566 10.715 67.5567 8.94817 3.90404 10.7149 3.90406 -3.53356 GPRESSAVG: 45800 -27.4563 67.0921 10.3033 69.6415 9.51457 5.59945 9.755 2.43215 -3.47857 TIMING: 45800 CPU: 136.614, 0.00298898/step Wall: 136.614, 0.00298898/step, 4.11333 hours remaining, 199.519531 MB of memory in use. ENERGY: 45800 727.4267 2031.7644 1935.9029 111.4482 -206074.9620 17765.3146 0.0000 0.0000 34461.4635 -149041.6417 300.9605 -183503.1052 -148942.4874 299.6310 2.2590 37.0498 558271.5005 -7.1919 -7.1401 PRESSURE: 46000 86.9311 -32.1935 -80.2013 -32.1931 -51.5913 -75.9096 -80.2016 -75.9097 -221.608 GPRESSURE: 46000 84.5605 1.56404 -130.313 -69.5951 -25.783 -74.046 -64.1956 -98.7793 -153.407 PRESSAVG: 46000 -36.6018 6.10786 -7.74037 6.10785 15.5276 2.51043 -7.74029 2.51032 12.8132 GPRESSAVG: 46000 -36.7762 6.63371 -7.89051 4.46529 15.8734 1.4782 -6.30264 4.44086 13.0559 TIMING: 46000 CPU: 137.211, 0.00298345/step Wall: 137.211, 0.00298345/step, 4.10556 hours remaining, 199.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 46000 730.7870 2072.1098 1911.4075 124.5821 -206108.7221 17709.8865 0.0000 0.0000 34457.3167 -149102.6325 300.9243 -183559.9492 -149005.2529 300.0666 -62.0896 -31.5431 558972.4993 -2.7537 -2.6156 PRESSURE: 46200 306.208 84.6011 119.28 84.6014 -7.8487 63.0425 119.279 63.0421 62.9492 GPRESSURE: 46200 376.884 174.855 56.5579 8.04358 24.3338 29.1571 118.326 82.5201 56.4753 PRESSAVG: 46200 -5.22803 44.4499 -1.79327 44.45 26.019 -14.2068 -1.79329 -14.2069 5.13544 GPRESSAVG: 46200 -5.0081 44.2615 -1.19928 45.7823 27.4609 -13.8463 -3.50737 -13.5911 3.88312 TIMING: 46200 CPU: 137.811, 0.00300169/step Wall: 137.811, 0.00300169/step, 4.13049 hours remaining, 199.519531 MB of memory in use. ENERGY: 46200 743.8036 2100.5395 1930.1996 122.9603 -206474.7911 18031.4216 0.0000 0.0000 34222.6704 -149323.1962 298.8751 -183545.8666 -149219.1416 298.9546 120.4362 152.5644 557302.6530 8.6421 8.7786 PRESSURE: 46400 -2.698 -37.6648 -53.5934 -37.6656 67.4768 6.50749 -53.5923 6.5058 50.0324 GPRESSURE: 46400 9.59529 25.0459 -89.2308 -106.679 148.594 -25.1546 -45.3536 52.7772 59.2268 PRESSAVG: 46400 31.3846 46.7209 -0.851747 46.721 9.17018 -18.1332 -0.851839 -18.1331 -15.4745 GPRESSAVG: 46400 31.2541 47.8567 0.373578 46.2697 8.31408 -18.1511 0.430728 -20.0212 -14.7565 TIMING: 46400 CPU: 138.406, 0.00297163/step Wall: 138.406, 0.00297163/step, 4.08896 hours remaining, 199.519531 MB of memory in use. ENERGY: 46400 781.0064 2118.1488 1938.7724 111.4802 -206637.8627 17959.0524 0.0000 0.0000 34399.6543 -149329.7482 300.4207 -183729.4024 -149224.3754 299.2860 38.2704 72.4720 557094.3683 8.3601 8.2706 PRESSURE: 46600 -207.904 19.382 -12.2189 19.3808 0.013502 -26.5739 -12.2193 -26.5745 -147.461 GPRESSURE: 46600 -205.063 106.942 5.15758 -59.6459 30.3973 -21.2863 40.1228 -2.68263 -82.1071 PRESSAVG: 46600 -35.8296 -10.3232 43.7519 -10.3232 -3.14943 60.6786 43.7519 60.6786 2.88022 GPRESSAVG: 46600 -36.5464 -7.76209 42.2638 -12.0742 -3.10806 60.5093 44.2549 63.3584 3.69105 TIMING: 46600 CPU: 139.005, 0.00299977/step Wall: 139.005, 0.00299977/step, 4.12751 hours remaining, 199.519531 MB of memory in use. ENERGY: 46600 759.5300 2116.8525 1924.0002 116.3799 -206351.2220 17675.5345 0.0000 0.0000 34266.8290 -149492.0959 299.2607 -183758.9248 -149386.5914 298.7712 -118.4505 -85.5909 557715.0270 -12.0329 -11.9878 PRESSURE: 46800 51.7162 -54.6979 7.64991 -54.6976 -103.066 -39.5622 7.6515 -39.5608 3.58567 GPRESSURE: 46800 133.029 -54.009 135.642 21.7656 -97.2421 -13.4511 -40.2142 -27.143 7.45499 PRESSAVG: 46800 13.0957 15.7727 19.3312 15.7727 4.87681 -14.9189 19.3311 -14.9191 54.5873 GPRESSAVG: 46800 14.9864 14.0553 19.1317 17.3209 3.9192 -13.82 18.4402 -17.7084 53.0267 TIMING: 46800 CPU: 139.599, 0.00296859/step Wall: 139.599, 0.00296859/step, 4.08445 hours remaining, 199.519531 MB of memory in use. ENERGY: 46800 742.7965 2193.8516 1919.1463 105.8029 -206455.4480 17788.0974 0.0000 0.0000 34270.3353 -149435.4179 299.2914 -183705.7533 -149338.1377 299.0429 -15.9213 14.4138 557201.0622 24.1866 23.9774 PRESSURE: 47000 -91.0707 -151.051 10.7572 -151.051 -166.067 -71.9837 10.7579 -71.9827 119.364 GPRESSURE: 47000 -89.8125 -93.6912 17.9072 -102.5 -74.1573 -75.1297 -39.9399 -150.206 133.374 PRESSAVG: 47000 -44.4656 -55.8903 -36.6909 -55.8904 30.8515 -22.5456 -36.6909 -22.5456 -6.63091 GPRESSAVG: 47000 -46.0593 -56.451 -35.1782 -54.4108 32.297 -22.2809 -36.3803 -21.5996 -5.93557 TIMING: 47000 CPU: 140.192, 0.00296202/step Wall: 140.192, 0.00296202/step, 4.07525 hours remaining, 199.519531 MB of memory in use. ENERGY: 47000 777.7320 2119.9852 1930.9249 117.0676 -206487.2371 17833.3350 0.0000 0.0000 34317.2706 -149390.9220 299.7013 -183708.1925 -149292.0515 298.8513 -45.9245 -10.1986 556756.5445 -6.7483 -6.5659 PRESSURE: 47200 -197.381 5.76153 23.3223 5.76079 -189.39 -8.88549 23.3218 -8.88504 -43.4085 GPRESSURE: 47200 -188.69 33.1708 45.3794 -54.3598 -92.2192 6.34935 -9.92207 -88.411 -61.0734 PRESSAVG: 47200 -0.810498 15.4709 -51.851 15.4709 -38.1523 20.065 -51.8511 20.0651 32.1925 GPRESSAVG: 47200 0.271607 13.391 -53.9985 14.8486 -39.9279 19.2749 -51.2327 19.3183 32.0716 TIMING: 47200 CPU: 140.788, 0.00298437/step Wall: 140.788, 0.00298437/step, 4.10583 hours remaining, 199.519531 MB of memory in use. ENERGY: 47200 744.4347 2121.4878 1913.9298 113.7699 -205930.8303 17428.8090 0.0000 0.0000 34222.4246 -149385.9745 298.8729 -183608.3991 -149294.9817 298.7895 -143.3934 -113.9943 556621.5272 -2.2568 -2.5282 PRESSURE: 47400 74.9136 125.134 38.4506 125.135 -22.2452 -32.3524 38.4502 -32.3522 -248.865 GPRESSURE: 47400 95.3818 102.554 44.9784 180.977 -47.8757 -56.4412 17.3189 -46.0674 -162.145 PRESSAVG: 47400 -13.5332 43.1484 -11.5139 43.1484 -21.1577 7.87776 -11.5138 7.87769 53.9738 GPRESSAVG: 47400 -13.5812 45.4028 -10.3659 42.6008 -21.4413 6.33843 -12.074 8.94423 53.9857 TIMING: 47400 CPU: 141.386, 0.00298958/step Wall: 141.386, 0.00298958/step, 4.11283 hours remaining, 199.519531 MB of memory in use. ENERGY: 47400 790.3988 2083.3964 1951.9439 112.1669 -206338.0822 17791.4310 0.0000 0.0000 34255.1258 -149353.6194 299.1585 -183608.7452 -149260.6911 299.7947 -65.3988 -38.2129 557713.8730 6.4276 6.3211 PRESSURE: 47600 61.1712 -14.1729 -19.2089 -14.1733 -356.744 -73.7397 -19.21 -73.7401 134.94 GPRESSURE: 47600 65.7883 -7.4294 74.487 77.9979 -281.524 -49.8238 -108.888 -5.06243 153.358 PRESSAVG: 47600 0.373595 22.0139 -3.37527 22.0138 -36.4261 -3.14284 -3.37536 -3.14283 14.1947 GPRESSAVG: 47600 -0.416195 21.4618 -1.7867 22.5989 -35.7147 -3.24983 -4.37891 -4.46272 14.1778 TIMING: 47600 CPU: 141.975, 0.00294214/step Wall: 141.975, 0.00294214/step, 4.0474 hours remaining, 199.519531 MB of memory in use. ENERGY: 47600 720.8933 2180.2768 1974.5612 103.9801 -205781.9670 17510.5643 0.0000 0.0000 34155.5352 -149136.1560 298.2888 -183291.6912 -149041.5032 299.3280 -53.5443 -20.7923 556756.3166 -7.2859 -7.3177 PRESSURE: 47800 -282.88 -97.3012 2.30728 -97.3005 -16.3184 83.5253 2.30746 83.5265 33.2734 GPRESSURE: 47800 -272.976 -158.967 17.3149 -25.7356 129.86 150.11 -42.234 89.6552 -23.4205 PRESSAVG: 47800 -0.928835 5.94187 -8.4503 5.94193 15.1726 27.8184 -8.45026 27.8184 14.0698 GPRESSAVG: 47800 -1.55909 6.55915 -8.87116 6.35479 15.0606 29.4643 -6.08613 28.0089 15.2358 TIMING: 47800 CPU: 142.568, 0.00296688/step Wall: 142.568, 0.00296688/step, 4.08128 hours remaining, 199.519531 MB of memory in use. ENERGY: 47800 769.4505 2114.0068 1964.5808 113.4072 -206115.7248 17683.3783 0.0000 0.0000 34212.8337 -149258.0675 298.7892 -183470.9012 -149165.8956 299.6361 -88.6415 -55.5123 556733.7232 9.4379 9.5791 PRESSURE: 48000 -254.715 73.514 -14.5697 73.5141 -86.0051 229.541 -14.569 229.543 -7.83676 GPRESSURE: 48000 -197.447 183.684 11.3002 -4.10556 -98.9967 175.732 -96.2736 207.647 48.4505 PRESSAVG: 48000 -46.988 14.81 58.786 14.81 24.1051 37.4193 58.786 37.4193 47.3376 GPRESSAVG: 48000 -45.6724 14.7497 57.0085 14.5817 23.6619 37.4056 58.4868 38.0587 46.4315 TIMING: 48000 CPU: 143.163, 0.00297523/step Wall: 143.163, 0.00297523/step, 4.09259 hours remaining, 199.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 48000 769.4369 2099.7650 1934.7884 120.6929 -205950.3850 17558.9826 0.0000 0.0000 34435.7959 -149030.9232 300.7364 -183466.7191 -148934.8774 300.2607 -116.1855 -82.6645 557660.7968 8.1516 8.1403 PRESSURE: 48200 -151.799 147.802 -125.728 147.803 -110.498 16.3654 -125.73 16.3652 -35.7353 GPRESSURE: 48200 -118.219 139.149 -95.8477 230.723 -75.5915 7.03617 -94.3978 90.6642 -9.79979 PRESSAVG: 48200 -5.56397 1.12739 49.6222 1.1274 -25.7091 -1.35516 49.6223 -1.3551 28.1436 GPRESSAVG: 48200 -3.87401 2.87188 49.8126 0.433465 -25.2256 -2.36708 48.0667 -0.964247 26.0398 TIMING: 48200 CPU: 143.761, 0.00298689/step Wall: 143.761, 0.00298689/step, 4.10846 hours remaining, 199.519531 MB of memory in use. ENERGY: 48200 758.4838 2101.6371 1940.2793 105.3913 -205616.4363 17571.9732 0.0000 0.0000 34254.1337 -148884.5379 299.1499 -183138.6716 -148788.5941 300.1278 -99.3439 -67.8700 557472.7459 -1.0432 -1.0199 LDB: ============= START OF LOAD BALANCING ============== 147.31 LDB: ============== END OF LOAD BALANCING =============== 147.311 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 147.312 LDB: ============= START OF LOAD BALANCING ============== 147.612 LDB: Largest compute 4796 load 0.028365 is 24.1% of average load 0.117866 LDB: Average compute 0.001736 is 1.5% of average load 0.117866 LDB: TIME 147.614 LOAD: AVG 0.117866 MAX 0.210897 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 198.297 MB LDB: TIME 147.615 LOAD: AVG 0.117866 MAX 0.210897 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.312 MB LDB: TIME 147.615 LOAD: AVG 0.117866 MAX 0.210897 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.312 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 147.616 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 147.62 PRESSURE: 48400 -48.6518 -104.703 5.41258 -104.703 -212.088 110.706 5.41262 110.706 79.7351 GPRESSURE: 48400 19.6042 -129.923 114.097 -96.5868 -206.473 142.242 -91.9989 67.9653 96.0293 PRESSAVG: 48400 -47.8106 35.883 59.9568 35.883 -24.2495 19.4538 59.9567 19.4537 45.2941 GPRESSAVG: 48400 -48.5971 34.2741 61.1814 38.1387 -24.5935 21.6539 61.6634 17.8984 46.7785 TIMING: 48400 CPU: 144.37, 0.00304798/step Wall: 144.37, 0.00304798/step, 4.19233 hours remaining, 199.335938 MB of memory in use. ENERGY: 48400 798.3446 2122.7199 1951.1119 111.9710 -206028.5909 17711.6059 0.0000 0.0000 34432.3336 -148900.5040 300.7061 -183332.8376 -148810.2482 300.4965 -60.3350 -30.2798 558441.5518 -8.9220 -8.8040 PRESSURE: 48600 245.027 82.073 -104.473 82.0734 118.291 -52.795 -104.475 -52.7953 -144.235 GPRESSURE: 48600 217.602 47.2432 -177.768 103.144 165.263 -121.95 -72.1405 -33.2766 -71.6249 PRESSAVG: 48600 43.9929 40.9138 10.8744 40.9138 -51.201 -8.34821 10.8744 -8.34829 51.7516 GPRESSAVG: 48600 42.7252 40.83 9.21176 39.0069 -49.7571 -8.97608 10.9167 -6.11366 51.4615 TIMING: 48600 CPU: 144.968, 0.00298799/step Wall: 144.968, 0.00298799/step, 4.10965 hours remaining, 199.335938 MB of memory in use. ENERGY: 48600 758.8299 2116.0169 1924.5208 119.0245 -206431.0468 18003.7401 0.0000 0.0000 34554.2068 -148954.7077 301.7705 -183508.9146 -148854.9264 301.0548 73.0274 103.7466 557649.4272 14.8478 14.8099 PRESSURE: 48800 -104.957 -105.095 15.9558 -105.095 14.0627 25.2214 15.9557 25.2224 -63.1053 GPRESSURE: 48800 -1.96668 -73.9455 79.5722 -137.881 26.4975 -47.8286 41.9659 114.631 -75.5782 PRESSAVG: 48800 -14.0763 -9.53584 -10.1244 -9.53571 7.88482 -9.54285 -10.1244 -9.54279 -12.4583 GPRESSAVG: 48800 -12.1825 -8.83739 -7.62236 -9.34852 7.44454 -9.44861 -9.41621 -9.93414 -13.4559 TIMING: 48800 CPU: 145.567, 0.00299775/step Wall: 145.567, 0.00299775/step, 4.12291 hours remaining, 199.335938 MB of memory in use. ENERGY: 48800 753.5384 2140.0959 1944.9675 118.9394 -205955.5612 17639.7903 0.0000 0.0000 34454.1155 -148904.1143 300.8964 -183358.2298 -148805.3003 300.7502 -51.3331 -17.0158 558033.1464 -6.2166 -6.0646 PRESSURE: 49000 -161.738 17.4921 37.6822 17.4913 206.277 -93.1074 37.6815 -93.1094 80.1159 GPRESSURE: 49000 -105.263 -83.044 -28.0983 55.3138 228.437 -97.3814 64.6132 -91.6509 106.187 PRESSAVG: 49000 -13.5708 -15.3096 -35.647 -15.3096 25.5549 20.794 -35.6471 20.7941 -8.72394 GPRESSAVG: 49000 -15.1883 -16.4453 -37.4433 -15.0563 25.5992 21.1813 -35.9753 22.0237 -6.99425 TIMING: 49000 CPU: 146.172, 0.00302465/step Wall: 146.172, 0.00302465/step, 4.15974 hours remaining, 199.375000 MB of memory in use. ENERGY: 49000 735.5392 2132.5172 1940.6289 120.5218 -205980.5112 17894.3449 0.0000 0.0000 34363.5053 -148793.4539 300.1050 -183156.9592 -148698.2857 300.9620 41.5516 76.4541 559866.5561 1.0867 1.1389 PRESSURE: 49200 -239.204 125.123 -35.8986 125.123 -173.888 120.192 -35.8976 120.193 -79.3053 GPRESSURE: 49200 -201.947 93.6855 20.9044 142.868 -123.062 96.7198 -101.078 114.8 -71.3539 PRESSAVG: 49200 3.40126 -7.72499 -41.462 -7.72499 2.02795 6.40195 -41.4621 6.4019 13.2359 GPRESSAVG: 49200 3.9348 -7.45847 -42.5417 -7.57416 0.659809 6.68793 -42.1911 4.21886 13.7723 TIMING: 49200 CPU: 146.775, 0.00301162/step Wall: 146.775, 0.00301162/step, 4.14165 hours remaining, 199.375000 MB of memory in use. ENERGY: 49200 772.9235 2135.5634 1924.8107 117.4962 -206193.5204 17739.4622 0.0000 0.0000 34581.5836 -148921.6810 302.0096 -183503.2646 -148829.5732 300.9725 -164.1325 -132.1210 558814.7165 6.2217 6.1223 PRESSURE: 49400 222.656 50.0968 86.7987 50.096 18.8847 -18.7216 86.7982 -18.7224 -5.33204 GPRESSURE: 49400 237.351 57.0707 142.959 115.028 88.6857 27.099 69.444 46.4782 7.1547 PRESSAVG: 49400 -65.7811 11.272 -9.30645 11.272 32.5168 -2.77182 -9.3064 -2.77191 4.5311 GPRESSAVG: 49400 -65.6719 10.7201 -7.09623 10.1322 34.1783 -2.74697 -10.9962 -1.2688 3.02192 TIMING: 49400 CPU: 147.369, 0.0029713/step Wall: 147.369, 0.0029713/step, 4.08604 hours remaining, 199.375000 MB of memory in use. ENERGY: 49400 716.7987 2168.4975 1945.7386 130.6539 -206481.5574 17975.4713 0.0000 0.0000 34465.9643 -149078.4331 300.9998 -183544.3974 -148976.9766 300.9495 78.7362 111.0638 558179.1008 -9.5777 -9.4905 PRESSURE: 49600 69.9216 50.3661 96.7975 50.366 -47.7959 -38.6856 96.797 -38.6851 -310.492 GPRESSURE: 49600 43.2298 80.3107 79.0864 13.0335 43.9232 7.43744 59.189 -102.122 -264.129 PRESSAVG: 49600 -24.0375 16.8405 7.42512 16.8405 32.3306 9.3506 7.4251 9.35066 33.0908 GPRESSAVG: 49600 -23.099 17.7147 4.01325 19.8049 32.1985 9.80315 8.65741 8.29543 32.4554 TIMING: 49600 CPU: 147.96, 0.00295483/step Wall: 147.96, 0.00295483/step, 4.06322 hours remaining, 199.375000 MB of memory in use. ENERGY: 49600 739.3641 2100.5509 1946.1692 106.2832 -206015.5648 17571.7230 0.0000 0.0000 34399.1784 -149152.2961 300.4166 -183551.4745 -149052.4566 300.7741 -96.1222 -58.9921 556809.5746 13.7946 13.8516 PRESSURE: 49800 -59.5102 -13.1723 179.021 -13.1723 -117.657 -20.3749 179.02 -20.3745 385.114 GPRESSURE: 49800 -23.2384 -115.817 203.482 -9.75195 -78.7956 13.542 173.46 -56.806 402.052 PRESSAVG: 49800 30.8674 -12.6069 41.7097 -12.6068 -4.88416 44.3191 41.7097 44.3191 -31.491 GPRESSAVG: 49800 30.3109 -13.9566 42.605 -13.7081 -5.87884 43.1098 40.8148 42.6384 -30.3858 TIMING: 49800 CPU: 148.55, 0.00295262/step Wall: 148.55, 0.00295262/step, 4.06001 hours remaining, 199.375000 MB of memory in use. ENERGY: 49800 779.2543 2160.3456 1945.6425 111.6796 -206325.1757 17817.8202 0.0000 0.0000 34184.2700 -149326.1636 298.5397 -183510.4335 -149232.8593 299.8726 69.3157 100.0059 556899.2712 -1.8359 -1.9846 PRESSURE: 50000 -185.617 -33.0075 111.078 -33.0072 -420.977 -68.9956 111.078 -68.9955 -177.777 GPRESSURE: 50000 -182.693 -77.5579 133.231 39.6137 -328.475 13.884 15.8731 -80.3512 -178.053 PRESSAVG: 50000 20.0071 -39.9202 -32.9507 -39.9201 -18.9366 -16.219 -32.9506 -16.2189 42.5121 GPRESSAVG: 50000 19.3746 -38.3989 -32.8376 -41.609 -18.785 -16.4377 -33.7151 -12.2856 43.0607 TIMING: 50000 CPU: 149.14, 0.00294819/step Wall: 149.14, 0.00294819/step, 4.05376 hours remaining, 199.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 50000 736.4887 2119.0319 1930.0382 130.0046 -205865.5903 17281.5294 0.0000 0.0000 34218.8232 -149449.6743 298.8415 -183668.4976 -149356.1560 299.0872 -261.4567 -229.7403 556344.8984 14.5275 14.5501 PRESSURE: 50200 -196.091 -13.5399 10.9309 -13.5408 -67.9969 30.6058 10.9311 30.6056 -353.804 GPRESSURE: 50200 -145.392 -72.667 15.1607 -27.0123 -4.49114 -26.5347 24.0855 104.631 -380.34 PRESSAVG: 50200 64.7525 -20.9729 51.0473 -20.973 -20.8835 -9.83924 51.0473 -9.8393 0.689879 GPRESSAVG: 50200 64.3332 -20.6619 50.8059 -20.184 -19.9242 -8.90721 52.0526 -11.9869 0.166953 TIMING: 50200 CPU: 149.734, 0.00296974/step Wall: 149.734, 0.00296974/step, 4.08323 hours remaining, 199.375000 MB of memory in use. ENERGY: 50200 764.1059 2114.8257 1927.8037 110.1312 -205889.5276 17522.6304 0.0000 0.0000 33914.9789 -149535.0518 296.1879 -183450.0307 -149437.4010 298.7232 -205.9641 -176.7411 556859.9691 14.8529 14.8587 PRESSURE: 50400 113.696 -82.0817 58.666 -82.0816 113.16 76.1662 58.6659 76.1659 -6.28668 GPRESSURE: 50400 171.694 -118.554 50.441 -53.5081 109.748 23.1169 65.605 207.099 34.5778 PRESSAVG: 50400 21.2544 -29.1761 21.8669 -29.1761 3.61321 29.4221 21.867 29.4221 -39.1424 GPRESSAVG: 50400 22.5276 -29.7007 21.9655 -29.9053 3.02839 29.0127 23.408 28.8021 -39.9693 TIMING: 50400 CPU: 150.331, 0.00298673/step Wall: 150.331, 0.00298673/step, 4.10642 hours remaining, 199.375000 MB of memory in use. ENERGY: 50400 739.1800 2121.3006 1936.7712 116.1209 -206361.0836 17824.1272 0.0000 0.0000 34217.5162 -149406.0674 298.8301 -183623.5836 -149308.5113 298.3594 73.5230 105.3401 557280.9909 -4.7583 -4.8044 PRESSURE: 50600 -191.644 -12.0147 -17.0804 -12.0145 71.8922 -239.986 -17.0802 -239.986 159.084 GPRESSURE: 50600 -162.565 -71.0343 -23.0275 45.262 111.93 -273.655 -19.3746 -185.725 194.725 PRESSAVG: 50600 -1.76265 43.0363 -10.9036 43.0362 2.06406 -20.755 -10.9035 -20.7549 17.2112 GPRESSAVG: 50600 -3.38631 41.663 -11.6009 45.9251 2.30108 -18.6462 -12.702 -21.4911 18.4725 TIMING: 50600 CPU: 150.923, 0.00295813/step Wall: 150.923, 0.00295813/step, 4.06694 hours remaining, 199.375000 MB of memory in use. ENERGY: 50600 745.8685 2021.7789 1897.5229 112.5135 -206378.0879 17908.2023 0.0000 0.0000 34307.9369 -149384.2649 299.6197 -183692.2019 -149292.1244 298.9625 13.1108 48.0297 557226.4280 5.8375 5.7958 PRESSURE: 50800 -158.133 107.828 -1.78446 107.829 -107.404 -66.8517 -1.78419 -66.8516 -177.965 GPRESSURE: 50800 -143.472 103.664 7.10495 144.358 -57.3125 -39.7144 -32.9505 -59.2001 -158.376 PRESSAVG: 50800 -47.9498 -2.14198 16.524 -2.14203 105.605 -17.2261 16.5239 -17.2261 -24.1764 GPRESSAVG: 50800 -47.1212 -0.349865 18.6417 -5.04121 106.424 -19.5445 16.2417 -15.1043 -25.5371 TIMING: 50800 CPU: 151.515, 0.00295909/step Wall: 151.515, 0.00295909/step, 4.06809 hours remaining, 199.375000 MB of memory in use. ENERGY: 50800 795.9405 2039.2433 1953.4039 129.6917 -206307.1930 17887.3053 0.0000 0.0000 34019.2648 -149482.3435 297.0987 -183501.6083 -149388.2633 298.7332 -147.8339 -119.7204 557813.6025 11.1597 11.2552 PRESSURE: 51000 -24.3542 -55.2174 105.865 -55.2179 -70.286 -18.6875 105.865 -18.6881 -83.1581 GPRESSURE: 51000 18.2529 -6.05732 218.707 -35.061 -47.6574 34.1035 -17.029 -109.264 -47.8298 PRESSAVG: 51000 36.7509 -37.0846 23.0095 -37.0846 -10.9086 23.2279 23.0096 23.2278 -16.8279 GPRESSAVG: 51000 36.22 -38.542 21.8772 -34.1772 -11.8602 22.7319 24.1409 23.9091 -15.4029 TIMING: 51000 CPU: 152.109, 0.00297083/step Wall: 152.109, 0.00297083/step, 4.08407 hours remaining, 199.375000 MB of memory in use. ENERGY: 51000 727.5757 2042.5107 1946.3359 112.9654 -206272.5855 17726.7208 0.0000 0.0000 34190.3553 -149526.1218 298.5929 -183716.4770 -149422.5180 298.1837 -59.2661 -25.7448 557308.7585 3.0048 2.9856 PRESSURE: 51200 -441.628 -79.7261 15.1396 -79.7264 -197.438 -27.3631 15.1401 -27.3633 -151.36 GPRESSURE: 51200 -359.285 -77.6647 38.0733 -128.055 -185.727 -26.5557 -54.362 -18.5952 -153.446 PRESSAVG: 51200 13.2184 42.4351 38.5302 42.4351 -14.6673 -11.74 38.5301 -11.74 -7.33038 GPRESSAVG: 51200 14.7462 42.0654 37.2663 41.1312 -14.674 -11.4341 40.0252 -13.6312 -7.97844 TIMING: 51200 CPU: 152.707, 0.00298955/step Wall: 152.707, 0.00298955/step, 4.10964 hours remaining, 199.375000 MB of memory in use. ENERGY: 51200 767.4988 2112.2421 1944.7324 106.0784 -206164.7850 17619.9365 0.0000 0.0000 34350.2161 -149264.0807 299.9890 -183614.2968 -149166.8807 299.4529 -263.4755 -232.8193 557537.5548 -2.9264 -2.6354 PRESSURE: 51400 139.019 -24.0591 -25.4658 -24.0593 223.682 166.928 -25.4656 166.931 -124.64 GPRESSURE: 51400 124.262 -40.5442 -39.963 -43.1591 246.031 152.64 -4.29845 117.456 -32.5434 PRESSAVG: 51400 -42.063 -29.8767 -2.28867 -29.8767 61.6064 36.5613 -2.2887 36.5613 -40.8466 GPRESSAVG: 51400 -42.915 -27.4327 0.303057 -30.2331 61.7052 36.1325 -5.21318 38.1732 -40.2886 TIMING: 51400 CPU: 153.299, 0.00295981/step Wall: 153.299, 0.00295981/step, 4.06858 hours remaining, 199.375000 MB of memory in use. ENERGY: 51400 733.0642 2078.7668 1930.3034 111.2027 -206302.1274 17903.2663 0.0000 0.0000 34257.6235 -149287.9005 299.1803 -183545.5240 -149191.9698 298.9429 79.3539 112.5832 557495.4171 -7.1010 -7.1661 PRESSURE: 51600 326.952 -119.616 -3.35937 -119.615 72.2047 -103.357 -3.35847 -103.357 56.448 GPRESSURE: 51600 262.182 -76.8371 -7.73328 -117.098 152.667 23.6087 -38.2027 -123.029 130.941 PRESSAVG: 51600 -74.0371 -46.0182 38.6762 -46.0181 75.6112 -5.45588 38.6762 -5.45576 -8.51035 GPRESSAVG: 51600 -73.8941 -46.291 36.0564 -45.4999 75.8893 -4.54318 41.5287 -4.87841 -8.47524 TIMING: 51600 CPU: 153.892, 0.00296418/step Wall: 153.892, 0.00296418/step, 4.07443 hours remaining, 199.375000 MB of memory in use. ENERGY: 51600 738.4557 2165.7564 1949.5781 118.0010 -206534.1257 18042.8486 0.0000 0.0000 34464.3712 -149055.1148 300.9859 -183519.4860 -148957.2523 299.4154 151.8683 181.9300 556893.5040 -2.3121 -2.1600 PRESSURE: 51800 83.2322 -33.0244 110.56 -33.0233 -53.8737 30.1974 110.559 30.1991 -32.1623 GPRESSURE: 51800 68.37 -30.9139 71.7605 -54.7688 -0.746676 47.1082 143.843 17.6551 24.6967 PRESSAVG: 51800 43.5242 19.4413 -15.7727 19.4413 31.8993 -28.0821 -15.7726 -28.0821 -41.5506 GPRESSAVG: 51800 44.4469 19.4096 -16.751 15.5714 31.4544 -29.4585 -15.8557 -27.8626 -41.693 TIMING: 51800 CPU: 154.487, 0.00297605/step Wall: 154.487, 0.00297605/step, 4.09059 hours remaining, 199.375000 MB of memory in use. ENERGY: 51800 740.6436 2030.4345 1960.4914 121.9647 -205940.5352 17654.6281 0.0000 0.0000 34327.1688 -149105.2041 299.7877 -183432.3729 -149015.5282 299.5001 -0.9346 30.7734 558218.6555 11.2910 11.4028 PRESSURE: 52000 49.2315 -8.82482 38.2437 -8.82511 -67.9001 142.264 38.243 142.264 -79.718 GPRESSURE: 52000 74.0691 23.5364 94.2021 -29.6312 -37.8354 192.634 -60.5002 72.9948 -40.3389 PRESSAVG: 52000 47.2829 -50.1784 -30.0998 -50.1783 37.6869 14.1503 -30.0998 14.1504 -60.6028 GPRESSAVG: 52000 47.1235 -50.0615 -27.7433 -47.2187 38.1555 14.809 -33.1428 14.0383 -60.8225 TIMING: 52000 CPU: 155.079, 0.00296085/step Wall: 155.079, 0.00296085/step, 4.06952 hours remaining, 199.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 52000 789.8248 2065.1939 1963.5532 113.0515 -206314.9061 17885.1419 0.0000 0.0000 34510.1416 -148987.9993 301.3856 -183498.1409 -148885.7685 299.0098 -32.7955 -1.3684 557668.5074 8.1223 8.1522 PRESSURE: 52200 344.141 -134.856 73.8335 -134.856 431.731 -30.9366 73.8338 -30.9367 -156.651 GPRESSURE: 52200 343.163 -149.935 64.2707 -175.372 419.34 -0.019255 161.183 -11.002 -59.9275 PRESSAVG: 52200 36.4276 -18.6132 5.86493 -18.6132 77.5228 20.4508 5.86496 20.451 -59.7548 GPRESSAVG: 52200 35.5788 -20.2612 4.18789 -20.9297 78.304 21.7101 9.74285 21.0173 -59.9765 TIMING: 52200 CPU: 155.674, 0.00297733/step Wall: 155.674, 0.00297733/step, 4.09201 hours remaining, 199.578125 MB of memory in use. ENERGY: 52200 744.9091 2093.2572 1963.9735 105.1710 -206461.2781 18022.8481 0.0000 0.0000 34431.8668 -149099.2525 300.7021 -183531.1193 -148999.4494 300.2103 206.4069 234.1919 555930.9766 18.0652 17.9687 LDB: ============= START OF LOAD BALANCING ============== 159.221 LDB: ============== END OF LOAD BALANCING =============== 159.221 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 159.222 LDB: ============= START OF LOAD BALANCING ============== 159.521 LDB: Largest compute 4773 load 0.028269 is 24.0% of average load 0.117867 LDB: Average compute 0.001731 is 1.5% of average load 0.117867 LDB: TIME 159.524 LOAD: AVG 0.117867 MAX 0.205728 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 201.887 MB LDB: TIME 159.524 LOAD: AVG 0.117867 MAX 0.205728 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.016 MB LDB: TIME 159.524 LOAD: AVG 0.117867 MAX 0.205728 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.016 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 159.526 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 159.53 PRESSURE: 52400 -167.945 50.8951 -110.418 50.8951 176.242 -108.217 -110.417 -108.218 194.171 GPRESSURE: 52400 -161.806 -10.9288 -132.68 89.0262 227.542 -69.5499 -86.3032 -109.609 233.614 PRESSAVG: 52400 32.5493 -13.6313 15.0835 -13.6313 -22.3066 39.2981 15.0836 39.2981 17.0612 GPRESSAVG: 52400 33.6507 -11.4176 12.9502 -12.7834 -24.7361 39.4458 14.8992 37.492 18.1271 TIMING: 52400 CPU: 156.28, 0.00302898/step Wall: 156.28, 0.00302898/step, 4.16283 hours remaining, 199.847656 MB of memory in use. ENERGY: 52400 717.8042 2083.7906 1949.9833 95.4054 -206301.6405 17946.8981 0.0000 0.0000 34330.0246 -149177.7344 299.8126 -183507.7590 -149084.6623 299.1271 67.4891 99.7833 558500.1313 9.1013 9.0139 PRESSURE: 52600 -150.464 28.9644 -18.7324 28.9626 -19.6312 22.9341 -18.7327 22.9331 -13.295 GPRESSURE: 52600 -66.7959 12.3075 -105.723 92.2592 25.0426 -4.6866 59.9852 95.6566 -32.9577 PRESSAVG: 52600 36.0929 14.0451 -16.8468 14.045 -22.7205 43.453 -16.8468 43.453 -13.5859 GPRESSAVG: 52600 36.7154 11.0303 -15.1956 17.0816 -22.1968 42.0454 -18.8546 44.5071 -14.5662 TIMING: 52600 CPU: 156.874, 0.00297075/step Wall: 156.874, 0.00297075/step, 4.08264 hours remaining, 199.847656 MB of memory in use. ENERGY: 52600 770.4038 2057.2985 1917.1923 105.3312 -206176.8721 17730.5007 0.0000 0.0000 34404.5511 -149191.5945 300.4635 -183596.1456 -149099.0421 299.7155 -61.1302 -24.9036 557841.7460 -0.0712 -0.0159 PRESSURE: 52800 -151.856 140.129 -37.1012 140.128 39.5927 -144.117 -37.1007 -144.118 83.9382 GPRESSURE: 52800 -122.67 194.144 -59.4612 131.227 108.174 -44.4239 50.3041 -195.612 82.2924 PRESSAVG: 52800 -39.7469 11.352 -11.7612 11.352 28.0384 -14.2739 -11.7614 -14.2738 0.84682 GPRESSAVG: 52800 -41.0504 11.25 -11.1662 9.61894 27.9687 -12.6836 -9.11031 -15.229 2.04506 TIMING: 52800 CPU: 157.468, 0.00297012/step Wall: 157.468, 0.00297012/step, 4.08161 hours remaining, 199.847656 MB of memory in use. ENERGY: 52800 776.7346 2082.6746 1932.0123 121.2620 -206361.0894 17877.7976 0.0000 0.0000 34270.7973 -149299.8109 299.2954 -183570.6083 -149202.4091 299.5800 -9.4417 22.5989 557788.9175 -3.6206 -3.6789 PRESSURE: 53000 -3.02911 99.0444 -5.53313 99.0445 16.0266 -55.1402 -5.53225 -55.1408 86.0337 GPRESSURE: 53000 65.0082 121.792 -21.5709 93.6054 22.0653 -84.6675 -37.0783 -68.5807 107.584 PRESSAVG: 53000 1.72723 55.187 -39.3011 55.187 11.0433 -63.6504 -39.301 -63.6504 -28.0373 GPRESSAVG: 53000 3.27428 56.7119 -38.5461 56.1814 10.3879 -66.9505 -43.1066 -62.5156 -28.3669 TIMING: 53000 CPU: 158.061, 0.00296327/step Wall: 158.061, 0.00296327/step, 4.07202 hours remaining, 200.109375 MB of memory in use. ENERGY: 53000 717.8375 2085.1350 1926.8813 110.4448 -206312.1875 17917.9790 0.0000 0.0000 34245.8481 -149308.0619 299.0775 -183553.9100 -149212.1998 298.3451 33.0104 64.8857 559457.1144 -5.0889 -4.9016 PRESSURE: 53200 210.488 104.845 -89.6462 104.845 49.5839 35.8417 -89.6466 35.8411 48.5765 GPRESSURE: 53200 316.135 150.684 -119.343 9.13521 91.5836 63.0378 -114.201 23.7971 9.45495 PRESSAVG: 53200 -35.035 -18.9793 -20.4762 -18.9792 14.679 -23.8632 -20.4762 -23.8633 36.3911 GPRESSAVG: 53200 -35.1801 -17.7533 -21.9845 -20.5085 14.9081 -21.7343 -20.1939 -24.5773 35.5835 TIMING: 53200 CPU: 158.655, 0.00296879/step Wall: 158.655, 0.00296879/step, 4.07945 hours remaining, 200.109375 MB of memory in use. ENERGY: 53200 715.2133 2084.5128 1945.9919 110.3162 -206515.2450 18148.8747 0.0000 0.0000 34044.1422 -149466.1937 297.3160 -183510.3360 -149370.5345 298.1428 102.8829 139.0578 559436.0777 5.3450 5.1038 PRESSURE: 53400 -233.827 -11.0343 -103.94 -11.0343 145.392 -93.2176 -103.942 -93.2175 -105.127 GPRESSURE: 53400 -201.48 -64.9351 -83.1285 6.4488 169.967 -113.389 -114.893 -110.858 -61.7807 PRESSAVG: 53400 64.5245 -18.1436 -5.75389 -18.1435 -18.7553 57.0684 -5.75381 57.0683 -51.8619 GPRESSAVG: 53400 64.7472 -20.6148 -6.27883 -17.3727 -18.1963 54.3207 -5.08245 59.5127 -52.3499 TIMING: 53400 CPU: 159.247, 0.00296124/step Wall: 159.247, 0.00296124/step, 4.06891 hours remaining, 200.109375 MB of memory in use. ENERGY: 53400 747.3960 2048.1628 1967.9209 114.6267 -206448.1578 17856.7373 0.0000 0.0000 34260.1976 -149453.1164 299.2028 -183713.3140 -149361.4934 298.0142 -64.5208 -31.0976 560018.9971 -2.0309 -1.9330 PRESSURE: 53600 -233.934 -111.023 -35.2999 -111.022 -23.2623 -100.611 -35.3015 -100.61 -124.421 GPRESSURE: 53600 -217.015 -175.433 -92.5192 -55.1282 -11.783 -32.524 40.079 -27.9068 -60.8913 PRESSAVG: 53600 -8.59679 -52.9262 34.2661 -52.9262 0.285304 -16.4055 34.2663 -16.4055 -20.3296 GPRESSAVG: 53600 -9.07972 -51.5066 33.0474 -52.419 -0.792591 -14.3315 34.9275 -17.3558 -18.9 TIMING: 53600 CPU: 159.841, 0.00297015/step Wall: 159.841, 0.00297015/step, 4.08098 hours remaining, 200.109375 MB of memory in use. ENERGY: 53600 737.5461 2074.8890 1934.3281 116.5917 -206499.1711 17912.0878 0.0000 0.0000 34299.0883 -149424.6400 299.5425 -183723.7283 -149333.8229 298.6144 -127.2056 -96.5631 559673.6513 -9.5470 -9.5908 PRESSURE: 53800 -188.473 -28.5902 195.421 -28.5894 57.946 -76.5246 195.421 -76.5226 1.42108 GPRESSURE: 53800 -185.735 20.1516 193.153 -58.7872 115.122 -73.7603 81.8278 -61.0773 46.5021 PRESSAVG: 53800 -20.9792 -61.5566 39.8235 -61.5566 -34.8896 -36.2307 39.8235 -36.2308 38.0902 GPRESSAVG: 53800 -21.9452 -61.6327 43.4189 -62.2776 -33.0777 -37.7642 39.4769 -36.7574 36.5118 TIMING: 53800 CPU: 160.429, 0.00293925/step Wall: 160.429, 0.00293925/step, 4.03837 hours remaining, 200.109375 MB of memory in use. ENERGY: 53800 747.7367 2073.4615 1926.4276 105.6856 -205915.2175 17677.0651 0.0000 0.0000 34005.3210 -149379.5201 296.9769 -183384.8411 -149285.6900 298.2719 -43.0353 -8.0368 558122.6024 -5.9262 -6.1704 PRESSURE: 54000 -91.7278 -255.731 1.87546 -255.73 44.0599 -88.6104 1.87419 -88.6118 200.841 GPRESSURE: 54000 -22.048 -241.672 31.6343 -294.234 88.5151 -57.4107 17.0945 -122.786 189.354 PRESSAVG: 54000 -87.0661 -43.3713 12.0513 -43.3713 131.634 2.19232 12.0512 2.19229 -2.0117 GPRESSAVG: 54000 -85.5516 -44.2368 10.7542 -42.5582 130.455 4.20232 12.4686 3.23102 -1.88456 TIMING: 54000 CPU: 161.019, 0.00295114/step Wall: 161.019, 0.00295114/step, 4.05455 hours remaining, 200.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 54000 770.1465 2083.8232 1928.9282 121.4521 -206528.1651 17885.6008 0.0000 0.0000 34185.0491 -149553.1651 298.5465 -183738.2143 -149458.3700 298.3907 51.0576 85.2736 557295.9747 14.1853 14.3395 PRESSURE: 54200 -166.717 71.3978 -56.2615 71.3985 209.003 64.9449 -56.2616 64.9443 -90.1822 GPRESSURE: 54200 -111.292 84.1817 -105.681 65.4543 197.867 85.5034 -43.8606 155.118 -40.8548 PRESSAVG: 54200 -68.6387 22.9377 42.6914 22.9379 36.1929 -18.4681 42.6914 -18.4681 9.88272 GPRESSAVG: 54200 -69.5578 25.1942 41.8115 20.2536 36.5188 -18.4889 41.372 -19.136 10.5093 TIMING: 54200 CPU: 161.611, 0.00296016/step Wall: 161.611, 0.00296016/step, 4.06676 hours remaining, 200.109375 MB of memory in use. ENERGY: 54200 743.4982 2038.0263 1932.2647 106.1151 -206483.7764 17914.4724 0.0000 0.0000 34261.2216 -149488.1782 299.2118 -183749.3998 -149396.3548 298.7306 -15.9651 15.2401 558233.0914 -7.5210 -7.5099 PRESSURE: 54400 -255.018 2.63845 3.42565 2.63815 -148.833 52.0813 3.4258 52.0806 -413.928 GPRESSURE: 54400 -228.281 -43.0221 -30.9761 32.7488 -114.729 72.2777 -34.8925 66.952 -397.077 PRESSAVG: 54400 -52.3845 16.6678 41.3354 16.6677 55.9165 68.0902 41.3354 68.0902 -34.5089 GPRESSAVG: 54400 -53.1789 16.1512 41.4681 17.9488 56.6928 67.5988 41.7898 67.5053 -34.2467 TIMING: 54400 CPU: 162.202, 0.00295463/step Wall: 162.202, 0.00295463/step, 4.059 hours remaining, 200.109375 MB of memory in use. ENERGY: 54400 798.1412 2041.3705 1926.8146 104.6974 -206175.7804 17505.5228 0.0000 0.0000 34215.7701 -149583.4637 298.8148 -183799.2338 -149483.9933 298.0153 -272.5933 -246.6954 557623.2908 -10.3256 -10.2443 PRESSURE: 54600 -22.6895 125.221 -5.41373 125.221 -214.473 218.823 -5.41362 218.823 106.728 GPRESSURE: 54600 44.9281 133.062 30.8431 90.3006 -218.134 250.947 4.68035 185.059 140.433 PRESSAVG: 54600 7.57593 37.2159 11.1488 37.216 11.6391 78.3927 11.1488 78.3928 17.5607 GPRESSAVG: 54600 8.96197 36.3122 10.5831 38.3606 11.0117 80.3049 12.7754 79.4034 16.9523 TIMING: 54600 CPU: 162.795, 0.0029627/step Wall: 162.795, 0.0029627/step, 4.06993 hours remaining, 200.109375 MB of memory in use. ENERGY: 54600 740.7928 2072.9521 1983.8383 109.6619 -206464.3168 17884.5615 0.0000 0.0000 34119.5302 -149552.9800 297.9743 -183672.5102 -149451.5680 298.5634 -43.4782 -10.9244 557541.1011 12.2586 12.3087 PRESSURE: 54800 272.364 58.9866 27.2174 58.987 -57.0028 -18.5296 27.2159 -18.5285 145.183 GPRESSURE: 54800 259.899 33.3834 -83.097 8.20206 5.27194 -11.8548 90.55 -23.5705 179.191 PRESSAVG: 54800 34.2683 -11.68 -34.8736 -11.68 -35.9302 10.4872 -34.8736 10.4871 -25.5729 GPRESSAVG: 54800 33.3948 -11.4511 -33.5501 -11.3974 -35.6677 8.20758 -35.6037 9.37414 -24.9005 TIMING: 54800 CPU: 163.388, 0.00296803/step Wall: 163.388, 0.00296803/step, 4.07708 hours remaining, 200.109375 MB of memory in use. ENERGY: 54800 732.0012 2043.9326 1952.4965 111.3086 -206592.8095 18028.9614 0.0000 0.0000 34432.5376 -149291.5715 300.7079 -183724.1091 -149193.7997 298.9360 120.1814 148.1206 556970.8539 -9.0783 -9.0578 PRESSURE: 55000 129.352 103.679 -58.6157 103.679 124.829 -51.3965 -58.6163 -51.3969 -236.458 GPRESSURE: 55000 118.548 126.586 -12.889 97.7117 117.373 -23.5455 -50.4744 -34.5971 -113.487 PRESSAVG: 55000 -9.58487 -1.53571 -25.0482 -1.53577 -60.4444 33.6379 -25.0482 33.6378 77.2707 GPRESSAVG: 55000 -9.66439 -3.47954 -24.0959 -2.43003 -61.4634 34.0066 -26.6067 34.9958 78.2063 TIMING: 55000 CPU: 163.984, 0.00297978/step Wall: 163.984, 0.00297978/step, 4.09306 hours remaining, 200.109375 MB of memory in use. ENERGY: 55000 759.7428 2130.4574 1943.3115 114.1824 -205981.6408 17834.1772 0.0000 0.0000 34013.9022 -149185.8674 297.0519 -183199.7696 -149088.4670 299.0778 5.9076 40.8112 557765.5704 2.4138 2.3595 PRESSURE: 55200 -171.254 23.5872 -11.9238 23.587 -2.84416 -102.841 -11.9228 -102.841 -290.066 GPRESSURE: 55200 -112.733 -20.8974 26.8303 5.34004 6.74222 -153.141 -27.4737 -2.94735 -261.129 PRESSAVG: 55200 -18.7659 10.9652 -26.1249 10.9652 11.1492 -25.3201 -26.1249 -25.32 -8.04837 GPRESSAVG: 55200 -18.5898 13.3072 -26.2802 10.5536 11.8929 -24.995 -24.7717 -25.403 -9.69951 TIMING: 55200 CPU: 164.579, 0.00297237/step Wall: 164.579, 0.00297237/step, 4.08271 hours remaining, 200.109375 MB of memory in use. ENERGY: 55200 787.1436 2099.2029 1967.2420 105.5379 -206324.0055 17754.0793 0.0000 0.0000 34425.4605 -149185.3392 300.6461 -183610.7998 -149084.7164 299.5592 -154.7216 -122.3733 557546.8331 -5.2217 -5.4655 PRESSURE: 55400 -343.154 50.2027 9.86188 50.2017 -183.369 -61.5446 9.86132 -61.5462 -102.425 GPRESSURE: 55400 -307.394 13.9718 33.5137 83.4983 -134.343 -72.9936 -41.3315 -128.535 -88.9486 PRESSAVG: 55400 -0.696392 49.2136 -0.26386 49.2136 -12.5719 -28.1736 -0.263769 -28.1736 28.4282 GPRESSAVG: 55400 -0.112052 47.9499 -3.37159 50.4868 -12.4564 -27.0659 -0.590787 -29.1921 28.3202 TIMING: 55400 CPU: 165.178, 0.00299413/step Wall: 165.178, 0.00299413/step, 4.11244 hours remaining, 200.109375 MB of memory in use. ENERGY: 55400 714.0355 2072.2585 1956.3631 125.4426 -205979.9480 17567.8997 0.0000 0.0000 34243.7664 -149300.1822 299.0593 -183543.9485 -149200.5491 299.3854 -209.6491 -176.8954 558946.5102 5.0533 5.2506 PRESSURE: 55600 -192.833 34.3183 -39.4224 34.3186 -66.7683 -25.9036 -39.4224 -25.9022 -94.9977 GPRESSURE: 55600 -121.388 59.0252 -121.898 5.3723 -48.6877 -104.002 1.21374 -26.6042 -91.0936 PRESSAVG: 55600 29.3167 6.08733 11.8589 6.08732 35.3803 2.12527 11.8588 2.12538 -10.3275 GPRESSAVG: 55600 29.445 8.33388 14.4404 4.3543 34.0982 1.10262 12.5441 1.69468 -9.43745 TIMING: 55600 CPU: 165.77, 0.00296058/step Wall: 165.77, 0.00296058/step, 4.06619 hours remaining, 200.175781 MB of memory in use. ENERGY: 55600 771.6255 2035.4036 1958.5623 120.5672 -205939.3874 17768.3480 0.0000 0.0000 34215.6378 -149069.2430 298.8137 -183284.8808 -148978.3037 299.5946 -118.1997 -87.0565 559709.9881 18.1232 18.0352 PRESSURE: 55800 -206.681 119.955 -93.2833 119.954 -192.608 16.573 -93.2837 16.5739 -262.91 GPRESSURE: 55800 -112.58 96.6769 -97.1015 66.9786 -212.674 -23.607 -75.898 33.9595 -229.955 PRESSAVG: 55800 19.2934 1.29239 6.96352 1.29238 20.3444 27.2285 6.96347 27.2285 -34.9522 GPRESSAVG: 55800 19.542 0.936255 5.9404 0.165871 20.7932 25.1415 6.93748 28.6242 -35.4159 TIMING: 55800 CPU: 166.362, 0.00296202/step Wall: 166.362, 0.00296202/step, 4.06801 hours remaining, 200.175781 MB of memory in use. ENERGY: 55800 772.6120 2099.7687 1968.3889 118.1111 -206011.6204 17624.0185 0.0000 0.0000 34225.1567 -149203.5644 298.8968 -183428.7211 -149102.2716 299.2907 -220.7328 -185.0695 559307.3215 1.5619 1.6398 PRESSURE: 56000 51.0287 -62.3912 121.663 -62.392 -79.6827 170.763 121.662 170.762 -54.8529 GPRESSURE: 56000 95.3475 -76.5184 84.5265 36.3508 -25.7384 253.392 211.377 130.167 -56.9268 PRESSAVG: 56000 -28.3921 46.2904 15.2359 46.2905 38.9139 -11.4606 15.2358 -11.4605 36.6943 GPRESSAVG: 56000 -29.2474 46.1586 17.2761 46.426 40.3048 -9.66272 14.9298 -11.599 36.2518 TIMING: 56000 CPU: 166.952, 0.00294895/step Wall: 166.952, 0.00294895/step, 4.04989 hours remaining, 200.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 56000 767.8989 2084.4964 1927.6413 102.2881 -206303.6010 17979.7980 0.0000 0.0000 34348.4847 -149092.9935 299.9739 -183441.4782 -149005.7701 299.6580 -27.8356 4.2274 558508.4614 15.7387 15.7697 PRESSURE: 56200 -340.579 -4.37505 42.6595 -4.3743 -352.509 -33.7886 42.6588 -33.7877 -35.111 GPRESSURE: 56200 -292.185 2.45101 -8.28957 12.9452 -334.485 -36.7839 92.0607 -34.6532 6.6489 PRESSAVG: 56200 -45.6482 4.87713 31.8197 4.87712 -11.8232 4.69367 31.8198 4.6937 40.1435 GPRESSAVG: 56200 -45.643 4.2756 29.7781 7.58794 -11.5445 5.5817 32.3405 5.36514 39.7684 TIMING: 56200 CPU: 167.543, 0.0029579/step Wall: 167.543, 0.0029579/step, 4.06202 hours remaining, 200.175781 MB of memory in use. ENERGY: 56200 786.3047 2034.5725 1951.0387 113.9969 -205918.3150 17597.5961 0.0000 0.0000 34289.1147 -149145.6913 299.4554 -183434.8061 -149047.0301 299.5813 -242.7328 -206.6736 558455.4781 -5.7760 -5.8064 LDB: ============= START OF LOAD BALANCING ============== 171.093 LDB: ============== END OF LOAD BALANCING =============== 171.093 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 171.095 LDB: ============= START OF LOAD BALANCING ============== 171.392 LDB: Largest compute 4796 load 0.028661 is 24.3% of average load 0.117956 LDB: Average compute 0.001727 is 1.5% of average load 0.117956 LDB: TIME 171.394 LOAD: AVG 0.117956 MAX 0.207871 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 200.234 MB LDB: TIME 171.394 LOAD: AVG 0.117956 MAX 0.207871 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.438 MB LDB: TIME 171.394 LOAD: AVG 0.117956 MAX 0.207871 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.438 MB LDB: ============== END OF LOAD BALANCING =============== 171.396 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 171.4 PRESSURE: 56400 67.9442 -60.4229 25.1927 -60.4211 -264.409 12.1053 25.1925 12.1068 -13.5987 GPRESSURE: 56400 107.409 -68.7518 60.7931 -135.076 -242.046 -6.67849 21.0001 101.761 28.9386 PRESSAVG: 56400 -4.4464 -17.7346 64.3386 -17.7346 -1.77557 -16.4558 64.3387 -16.4557 31.1241 GPRESSAVG: 56400 -2.99787 -17.8716 66.0032 -18.433 -2.89387 -15.8785 63.822 -17.5812 30.6331 TIMING: 56400 CPU: 168.15, 0.00303476/step Wall: 168.15, 0.00303476/step, 4.1674 hours remaining, 198.824219 MB of memory in use. ENERGY: 56400 758.5714 2098.7339 1956.7336 104.8702 -205909.9758 17701.6704 0.0000 0.0000 34286.9709 -149002.4254 299.4366 -183289.3963 -148903.1538 299.7615 -70.0211 -35.2329 558827.8408 8.3007 8.2471 PRESSURE: 56600 -28.0504 -138.35 36.69 -138.349 51.2034 -30.5447 36.6888 -30.5435 -189.414 GPRESSURE: 56600 -23.5953 -186.11 18.1083 -177.038 133.738 1.02357 17.3138 -15.5545 -181.763 PRESSAVG: 56600 -37.275 2.89008 32.5953 2.89005 -58.7696 -44.0927 32.5952 -44.0926 39.2674 GPRESSAVG: 56600 -37.4516 2.05202 33.0267 3.1306 -57.9461 -46.3324 32.7415 -43.794 39.2238 TIMING: 56600 CPU: 168.742, 0.00295952/step Wall: 168.742, 0.00295952/step, 4.06392 hours remaining, 198.824219 MB of memory in use. ENERGY: 56600 752.8496 2091.2817 1947.1294 113.0166 -205918.4037 17642.9142 0.0000 0.0000 34418.8488 -148952.3633 300.5884 -183371.2121 -148857.7580 300.3648 -55.4203 -23.8734 558670.5340 -18.9257 -18.7246 PRESSURE: 56800 -71.3624 -81.9219 -114.557 -81.9229 -311.764 -78.5744 -114.555 -78.5737 -237.533 GPRESSURE: 56800 -27.515 -45.8887 -155.063 -67.3546 -284.73 -52.2355 -81.2297 -125.01 -203.057 PRESSAVG: 56800 29.5174 -41.2742 37.1542 -41.2742 -18.7858 13.274 37.1542 13.274 2.36188 GPRESSAVG: 56800 29.2615 -41.425 37.188 -41.1829 -19.1807 13.8142 37.5953 11.631 2.81644 TIMING: 56800 CPU: 169.336, 0.00296661/step Wall: 169.336, 0.00296661/step, 4.07348 hours remaining, 198.824219 MB of memory in use. ENERGY: 56800 734.4878 2109.7219 1938.2083 110.8005 -205680.5266 17433.5690 0.0000 0.0000 34268.1735 -149085.5656 299.2725 -183353.7390 -148991.1387 300.2100 -206.8867 -171.7674 558047.7591 4.3645 4.2991 PRESSURE: 57000 35.5185 -64.4072 -77.8099 -64.4084 -93.8714 -19.4852 -77.8096 -19.4842 -74.0202 GPRESSURE: 57000 43.831 22.5918 -71.9794 -50.6586 -9.02915 12.5121 -49.3014 13.7148 -70.1588 PRESSAVG: 57000 77.6 33.2053 55.6793 33.2054 0.0028236 -34.0479 55.6794 -34.0477 -13.7826 GPRESSAVG: 57000 76.8645 34.5252 54.4759 34.3387 0.766306 -34.3319 53.9055 -34.0193 -13.2265 TIMING: 57000 CPU: 169.929, 0.00296501/step Wall: 169.929, 0.00296501/step, 4.07112 hours remaining, 198.824219 MB of memory in use. ENERGY: 57000 731.4916 2097.0421 1942.2689 105.5475 -205641.3014 17548.9607 0.0000 0.0000 34213.6869 -149002.3037 298.7966 -183215.9907 -148907.5703 299.8001 -44.1244 -11.7857 556833.8081 21.2734 21.4681 PRESSURE: 57200 -155.881 21.4781 98.4224 21.4774 -28.9747 -94.1807 98.422 -94.1812 -256.615 GPRESSURE: 57200 -130.461 63.631 86.4974 102.531 7.43177 -72.252 88.7717 -96.8122 -213.495 PRESSAVG: 57200 11.6251 -19.3144 14.6369 -19.3144 -74.9264 -16.919 14.6369 -16.9191 39.0449 GPRESSAVG: 57200 12.5529 -20.3788 16.4355 -20.2398 -75.152 -16.1058 15.2502 -15.604 38.0802 TIMING: 57200 CPU: 170.524, 0.00297875/step Wall: 170.524, 0.00297875/step, 4.08982 hours remaining, 198.824219 MB of memory in use. ENERGY: 57200 760.1859 2058.7823 1937.9351 106.6546 -205669.8405 17498.0437 0.0000 0.0000 34334.6425 -148973.5965 299.8530 -183308.2390 -148873.5455 300.3454 -147.1571 -112.1747 558380.8470 -8.0854 -8.1730 PRESSURE: 57400 -115.437 -29.7585 12.5979 -29.7578 -207.649 155.393 12.5987 155.391 -373.114 GPRESSURE: 57400 -71.4636 -40.012 36.125 -2.65093 -187.906 166.944 -34.4984 179.881 -335.584 PRESSAVG: 57400 40.2452 -18.1654 -11.9862 -18.1654 -9.7438 9.90901 -11.9861 9.90895 -39.8761 GPRESSAVG: 57400 39.9619 -16.1706 -13.0578 -18.98 -9.57164 9.29361 -11.3701 10.0563 -39.8613 TIMING: 57400 CPU: 171.12, 0.00298/step Wall: 171.12, 0.00298/step, 4.09137 hours remaining, 198.824219 MB of memory in use. ENERGY: 57400 736.3967 2052.3368 1930.6212 120.6864 -205716.9071 17479.7796 0.0000 0.0000 34434.6456 -148962.4408 300.7263 -183397.0864 -148869.5108 300.2020 -232.0668 -198.3179 558514.3118 -3.1249 -3.1570 PRESSURE: 57600 -173.397 151.287 -80.0742 151.287 -43.5007 207.561 -80.074 207.56 -264.354 GPRESSURE: 57600 -143.359 130.236 -54.845 122.669 15.2528 157.94 -93.5143 205.718 -248.628 PRESSAVG: 57600 16.0337 -14.0758 -83.7448 -14.0759 16.9732 40.8468 -83.7449 40.8468 -19.1853 GPRESSAVG: 57600 17.6258 -13.6228 -82.1668 -16.7492 14.4205 40.7636 -84.3464 40.0614 -18.3625 TIMING: 57600 CPU: 171.72, 0.00299787/step Wall: 171.72, 0.00299787/step, 4.11574 hours remaining, 198.824219 MB of memory in use. ENERGY: 57600 725.0017 2113.0991 1942.7633 107.0064 -205879.1841 17616.9270 0.0000 0.0000 34390.1737 -148984.2129 300.3379 -183374.3866 -148882.1521 300.5605 -160.4171 -125.5779 558762.1617 4.6072 4.5613 PRESSURE: 57800 -325.741 -13.4808 30.4582 -13.4804 -385.837 -136.798 30.4594 -136.797 193.777 GPRESSURE: 57800 -302.516 -18.2399 61.9085 -15.1528 -344.295 -115.903 -6.29417 -114.027 231.228 PRESSAVG: 57800 19.4482 -25.3756 19.6404 -25.3754 -22.654 -50.1199 19.6403 -50.1199 11.4233 GPRESSAVG: 57800 17.6325 -28.3686 18.4581 -24.6761 -20.4833 -49.1385 19.2715 -51.4831 11.2525 TIMING: 57800 CPU: 172.318, 0.00298949/step Wall: 172.318, 0.00298948/step, 4.10406 hours remaining, 198.824219 MB of memory in use. ENERGY: 57800 731.3107 2087.8988 1933.3963 125.0900 -205754.2186 17492.6231 0.0000 0.0000 34394.5187 -148989.3811 300.3759 -183383.8998 -148901.8449 299.9799 -172.6003 -138.5277 557618.2518 2.7392 2.8006 PRESSURE: 58000 -453.471 115.036 -17.8951 115.036 -365.423 -85.3731 -17.8953 -85.3732 -252.414 GPRESSURE: 58000 -418.979 155.9 5.85723 132.177 -352.772 -144.593 -15.9132 -52.7069 -215.829 PRESSAVG: 58000 60.7382 9.21882 7.15576 9.21883 23.9885 -51.8058 7.15587 -51.8059 -5.57897 GPRESSAVG: 58000 60.2287 8.79342 6.68896 12.8134 24.4271 -52.3778 8.54635 -50.0439 -5.95443 TIMING: 58000 CPU: 172.922, 0.00302124/step Wall: 172.922, 0.00302124/step, 4.1475 hours remaining, 198.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 58000 764.9183 2064.1954 1960.2534 112.1578 -205524.6868 17340.7165 0.0000 0.0000 34307.3160 -148975.1294 299.6143 -183282.4453 -148883.5470 300.1190 -357.1027 -329.1932 559047.0396 26.3826 26.2338 PRESSURE: 58200 -158.389 16.8042 -9.53115 16.8042 -83.0519 -33.8973 -9.53027 -33.8977 37.5136 GPRESSURE: 58200 -157.576 53.9945 -45.3472 57.0352 -8.35387 26.646 -53.5125 5.41758 65.8783 PRESSAVG: 58200 -28.8214 10.2573 -46.3711 10.2573 -5.81161 -39.9142 -46.3711 -39.914 -10.7729 GPRESSAVG: 58200 -26.7544 10.6198 -46.5869 9.76625 -7.08166 -38.7332 -46.7513 -40.8127 -11.5291 TIMING: 58200 CPU: 173.516, 0.00296775/step Wall: 173.516, 0.00296775/step, 4.07389 hours remaining, 198.824219 MB of memory in use. ENERGY: 58200 758.3698 2085.3040 1942.2376 121.3368 -205753.6445 17683.2168 0.0000 0.0000 34028.9777 -149134.2018 297.1835 -183163.1796 -149039.3279 299.5907 -67.9758 -33.3506 557946.5175 -15.1353 -15.1217 PRESSURE: 58400 -88.7001 -37.5372 -81.4442 -37.5371 -43.9305 238.117 -81.4437 238.117 -116.749 GPRESSURE: 58400 -60.1904 -104.756 -77.0268 36.9734 19.0708 281.733 -94.3359 188.434 -105.301 PRESSAVG: 58400 -0.327807 -47.8896 -27.1883 -47.8895 -2.59317 30.8647 -27.1883 30.8647 -65.6401 GPRESSAVG: 58400 -1.94559 -49.2813 -26.7835 -47.2493 -1.48269 29.437 -26.8641 29.8608 -65.3324 TIMING: 58400 CPU: 174.11, 0.00297063/step Wall: 174.11, 0.00297063/step, 4.07769 hours remaining, 198.824219 MB of memory in use. ENERGY: 58400 756.1536 2018.5097 1925.7184 102.6593 -205906.0051 17889.9137 0.0000 0.0000 34163.3722 -149049.6782 298.3572 -183213.0503 -148952.2959 299.4615 -83.1266 -48.8068 559058.9445 -22.8537 -22.9202 PRESSURE: 58600 -107.772 17.552 -3.01292 17.5518 155.781 -43.5328 -3.01383 -43.5325 336.664 GPRESSURE: 58600 -31.4392 -139.544 -8.02774 32.3756 173.796 -22.3963 43.6893 -102.945 346.131 PRESSAVG: 58600 -68.5322 -17.7203 -27.5787 -17.7204 71.4586 -20.2456 -27.5786 -20.2456 8.99423 GPRESSAVG: 58600 -68.4896 -16.0923 -28.9056 -20.6997 71.73 -20.4458 -27.0791 -18.705 8.73421 TIMING: 58600 CPU: 174.707, 0.00298397/step Wall: 174.707, 0.00298397/step, 4.09583 hours remaining, 198.824219 MB of memory in use. ENERGY: 58600 746.2160 2086.2762 1933.0496 123.4811 -206018.5499 17816.0654 0.0000 0.0000 34324.7505 -148988.7110 299.7666 -183313.4615 -148892.1333 300.2634 128.2244 162.8292 557688.6251 3.9735 3.9915 PRESSURE: 58800 -134.746 -74.6176 -121.106 -74.6179 172.665 24.6742 -121.107 24.6753 -248.299 GPRESSURE: 58800 -53.1492 -85.0515 -76.6517 -178.377 166.642 132.391 -104.437 27.9777 -219.957 PRESSAVG: 58800 -8.64458 -81.7441 -21.7351 -81.7442 56.6306 -5.91511 -21.7351 -5.91507 -1.5385 GPRESSAVG: 58800 -8.83869 -81.1581 -19.4555 -80.5493 56.7158 -4.44618 -24.2425 -6.088 -1.27019 TIMING: 58800 CPU: 175.301, 0.00297279/step Wall: 175.301, 0.00297279/step, 4.08032 hours remaining, 198.824219 MB of memory in use. ENERGY: 58800 792.6059 2113.1133 1940.5161 103.5428 -206393.3423 17950.3707 0.0000 0.0000 34391.8870 -149101.3066 300.3529 -183493.1935 -149013.5245 299.7144 -70.1267 -35.4881 558790.5696 15.4825 15.5356 PRESSURE: 59000 -191.001 6.29852 -134.199 6.29861 180.603 11.7826 -134.2 11.7816 199.084 GPRESSURE: 59000 -113.255 -70.3458 -226.605 -60.0507 223.414 -14.3726 -139.452 -53.1125 178.631 PRESSAVG: 59000 -29.5415 -15.6353 -60.0382 -15.6352 66.3185 20.5311 -60.0381 20.5312 -22.4983 GPRESSAVG: 59000 -27.497 -15.9291 -60.8996 -17.3413 64.617 17.8736 -58.3226 19.6926 -22.2776 TIMING: 59000 CPU: 175.892, 0.00295502/step Wall: 175.892, 0.00295502/step, 4.05576 hours remaining, 198.824219 MB of memory in use. ENERGY: 59000 751.4320 2124.6806 1961.4436 105.7045 -206040.7012 17836.1678 0.0000 0.0000 34226.1290 -149035.1438 298.9053 -183261.2728 -148940.3796 300.4810 62.8953 96.2633 556339.3460 4.7595 4.9474 PRESSURE: 59200 169.209 205.227 18.4759 205.225 99.5174 34.5105 18.4758 34.5108 182.671 GPRESSURE: 59200 192.933 229.524 71.8405 254.676 122.763 46.3255 12.8869 -1.61769 227.19 PRESSAVG: 59200 61.4814 -36.427 11.1086 -36.4269 27.8634 5.91503 11.1085 5.91503 -68.0262 GPRESSAVG: 59200 60.6051 -36.1979 12.0713 -34.0644 28.6424 5.20095 10.5359 6.36169 -68.1738 TIMING: 59200 CPU: 176.485, 0.00296204/step Wall: 176.485, 0.00296204/step, 4.06523 hours remaining, 198.824219 MB of memory in use. ENERGY: 59200 721.1968 2073.4752 1949.3952 113.2002 -206617.5319 18035.2285 0.0000 0.0000 34441.8324 -149283.2037 300.7891 -183725.0361 -149179.3528 299.9934 150.4660 180.9619 555099.2957 7.1062 7.0246 PRESSURE: 59400 18.3705 115.886 -77.747 115.885 -36.491 139.627 -77.746 139.626 -72.535 GPRESSURE: 59400 7.92935 121.72 -36.6434 -57.3405 45.9008 95.9197 -81.8667 141.45 -47.3272 PRESSAVG: 59400 58.0735 -35.1456 -21.8758 -35.1456 5.38134 -28.345 -21.8758 -28.3449 -61.6255 GPRESSAVG: 59400 58.2628 -34.4121 -22.2887 -36.9441 4.98019 -26.0818 -21.5277 -28.1586 -62.2245 TIMING: 59400 CPU: 177.082, 0.00298788/step Wall: 177.082, 0.00298788/step, 4.10053 hours remaining, 198.824219 MB of memory in use. ENERGY: 59400 748.1706 2077.4865 1922.0630 104.9265 -206222.2157 17654.7031 0.0000 0.0000 34458.7460 -149256.1200 300.9368 -183714.8660 -149149.9728 299.2913 -30.2185 2.1676 557268.9883 0.6098 0.3395 PRESSURE: 59600 63.7444 30.434 261.426 30.4339 -61.8807 79.2325 261.427 79.2317 -128.302 GPRESSURE: 59600 140.798 24.961 228.882 18.2542 -87.7934 40.291 227.508 100.123 -77.16 PRESSAVG: 59600 72.4827 -0.0574063 -14.0665 -0.0574162 37.4869 -26.7503 -14.0665 -26.7503 -74.7832 GPRESSAVG: 59600 73.2923 -1.84072 -13.2966 2.55873 37.4813 -27.5909 -14.6868 -24.8367 -75.2039 TIMING: 59600 CPU: 177.682, 0.00300178/step Wall: 177.682, 0.00300178/step, 4.11945 hours remaining, 198.824219 MB of memory in use. ENERGY: 59600 773.0982 2140.7173 1941.7021 125.8470 -206563.7523 17932.1845 0.0000 0.0000 34515.5471 -149134.6562 301.4329 -183650.2033 -149047.2151 300.0037 -42.1460 -8.0517 558183.6357 11.7288 11.8566 PRESSURE: 59800 57.934 -64.9208 230.852 -64.922 -134.812 157.266 230.852 157.265 -171.077 GPRESSURE: 59800 54.2955 -148.467 248.244 -37.2032 -93.3291 158.638 225.509 57.807 -107.297 PRESSAVG: 59800 26.9226 -21.197 21.9169 -21.197 2.89148 52.8937 21.9169 52.8937 -23.1135 GPRESSAVG: 59800 26.7309 -22.0683 21.9809 -20.6838 3.32338 53.8025 20.6599 50.6945 -22.7717 TIMING: 59800 CPU: 178.284, 0.00300704/step Wall: 178.284, 0.00300704/step, 4.12649 hours remaining, 198.824219 MB of memory in use. ENERGY: 59800 785.4977 2089.6933 1938.1244 101.4790 -205944.3759 17761.4210 0.0000 0.0000 34179.3790 -149088.7815 298.4970 -183268.1605 -148990.5885 299.8144 -82.6513 -48.7770 559047.5337 2.2335 2.4275 PRESSURE: 60000 -0.459431 -159.683 28.8691 -159.683 -35.3379 -12.2931 28.8678 -12.2929 -112.336 GPRESSURE: 60000 -11.3325 -225.889 13.422 -123.379 42.9303 -61.1827 -9.35314 -7.84103 -86.4874 PRESSAVG: 60000 -53.436 -73.1556 51.6474 -73.1556 -10.8842 25.4893 51.6474 25.4893 42.7874 GPRESSAVG: 60000 -54.6505 -72.3272 48.6875 -74.8937 -11.2955 25.9278 54.9432 25.1442 44.1599 TIMING: 60000 CPU: 178.878, 0.00296847/step Wall: 178.878, 0.00296847/step, 4.0734 hours remaining, 198.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 60000 754.4387 2083.8941 1919.8308 112.4396 -206011.0335 17827.8885 0.0000 0.0000 34306.6788 -149005.8630 299.6088 -183312.5418 -148906.9978 299.5351 -49.3779 -18.2965 558569.4546 -7.1776 -7.2620 PRESSURE: 60200 -14.4103 -104.921 105.278 -104.921 347.945 129.653 105.279 129.652 48.2854 GPRESSURE: 60200 -40.3337 -73.5758 108.381 -112.64 413.045 99.2176 11.0646 113.821 90.8498 PRESSAVG: 60200 11.9394 -103.222 16.2312 -103.222 34.2307 25.9687 16.2312 25.9688 -27.167 GPRESSAVG: 60200 12.147 -102.373 19.359 -104.291 34.3154 23.6423 13.506 27.8076 -27.824 TIMING: 60200 CPU: 179.476, 0.00299217/step Wall: 179.476, 0.00299217/step, 4.10576 hours remaining, 198.824219 MB of memory in use. ENERGY: 60200 752.4343 2161.2185 1973.9480 106.0035 -206042.1984 17869.3190 0.0000 0.0000 34222.3266 -148956.9485 298.8721 -183179.2751 -148862.3107 300.2091 127.2734 154.5202 557463.3985 6.3344 6.2128 LDB: ============= START OF LOAD BALANCING ============== 183.026 LDB: ============== END OF LOAD BALANCING =============== 183.027 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 183.028 LDB: ============= START OF LOAD BALANCING ============== 183.328 LDB: Largest compute 4796 load 0.028416 is 24.1% of average load 0.117814 LDB: Average compute 0.001735 is 1.5% of average load 0.117814 LDB: TIME 183.33 LOAD: AVG 0.117814 MAX 0.204779 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 199.336 MB LDB: TIME 183.331 LOAD: AVG 0.117814 MAX 0.204779 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.336 MB LDB: TIME 183.331 LOAD: AVG 0.117814 MAX 0.204779 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.336 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 183.333 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 183.337 PRESSURE: 60400 15.8788 -36.9068 -23.8843 -36.9067 -84.0773 -24.2647 -23.8832 -24.2637 -17.0603 GPRESSURE: 60400 101.938 -59.6199 -16.2748 21.6689 -87.9092 -58.8146 20.6917 -70.9434 -8.27541 PRESSAVG: 60400 23.4746 -7.3635 36.1186 -7.36355 -16.1486 29.3309 36.1186 29.3308 -5.20456 GPRESSAVG: 60400 23.4966 -6.19513 34.5979 -7.92312 -16.1054 28.4416 37.8122 29.5375 -5.30929 TIMING: 60400 CPU: 180.087, 0.00305442/step Wall: 180.087, 0.00305442/step, 4.19101 hours remaining, 199.593750 MB of memory in use. ENERGY: 60400 737.6137 2109.3268 1952.7208 115.3380 -206177.9771 17763.2358 0.0000 0.0000 34403.9840 -149095.7580 300.4585 -183499.7420 -148993.7301 300.4124 -28.4196 1.9177 557765.9215 0.7072 0.6940 PRESSURE: 60600 -255.626 -59.9312 -29.7479 -59.9308 -170.854 63.4556 -29.7485 63.4535 168.081 GPRESSURE: 60600 -242.676 -26.255 -107.28 -61.2583 -98.0216 60.7765 -51.1958 58.1598 175.063 PRESSAVG: 60600 -19.8793 36.6656 3.55621 36.6656 -12.3665 3.16977 3.55638 3.16982 25.5538 GPRESSAVG: 60600 -19.3651 35.1594 5.57471 38.0661 -13.6789 5.37491 2.07699 2.07825 25.7982 TIMING: 60600 CPU: 180.681, 0.00297195/step Wall: 180.681, 0.00297195/step, 4.07768 hours remaining, 199.796875 MB of memory in use. ENERGY: 60600 716.1645 2054.9335 1930.6038 124.6573 -205451.6230 17526.9536 0.0000 0.0000 34179.9240 -148918.3864 298.5018 -183098.3104 -148822.9937 299.4215 -86.1330 -55.2115 557138.2995 -2.2307 -2.4153 PRESSURE: 60800 -40.4238 43.6248 30.8926 43.6236 -199.707 154.325 30.8919 154.324 64.2299 GPRESSURE: 60800 -31.6939 109.732 -18.7259 -14.085 -177.878 199.065 30.8178 164.862 118.293 PRESSAVG: 60800 -36.188 -48.142 13.134 -48.142 -8.86611 37.3926 13.1339 37.3926 43.6822 GPRESSAVG: 60800 -36.85 -47.5149 12.8026 -47.863 -7.84624 36.6777 13.7199 37.0223 43.1513 TIMING: 60800 CPU: 181.28, 0.00299581/step Wall: 181.28, 0.00299581/step, 4.11025 hours remaining, 199.796875 MB of memory in use. ENERGY: 60800 748.4175 2109.2965 1915.3820 110.8371 -205834.4569 17684.8866 0.0000 0.0000 34401.4057 -148864.2315 300.4360 -183265.6372 -148758.8540 300.6288 -58.6337 -30.4263 558606.3056 -0.4573 -0.5150 PRESSURE: 61000 -137.949 30.7021 67.0847 30.7024 -169.881 104.741 67.0843 104.742 -274.318 GPRESSURE: 61000 -113.105 46.5458 74.8938 22.2929 -144.477 145.889 51.8116 26.3833 -234.292 PRESSAVG: 61000 6.42839 42.0944 6.06476 42.0944 -28.3999 -11.5641 6.06473 -11.5642 -18.0495 GPRESSAVG: 61000 6.07641 43.3427 5.22258 40.3215 -28.8741 -11.6732 5.57046 -11.8925 -17.1657 TIMING: 61000 CPU: 181.874, 0.0029658/step Wall: 181.874, 0.0029658/step, 4.06891 hours remaining, 199.796875 MB of memory in use. ENERGY: 61000 801.6693 2022.6573 1945.2790 108.3597 -205848.7158 17505.0854 0.0000 0.0000 34538.5605 -148927.1046 301.6338 -183465.6651 -148832.9283 300.0328 -194.0494 -163.9578 557260.4821 -13.3403 -13.3211 PRESSURE: 61200 294.747 -6.17744 -192.165 -6.17645 -0.658673 22.7172 -192.165 22.7175 54.7556 GPRESSURE: 61200 300.773 -16.2829 -128.524 43.0434 30.2645 51.9471 -196.606 45.252 113.482 PRESSAVG: 61200 44.6449 18.6433 -11.3349 18.6434 -20.955 -33.6861 -11.3349 -33.6862 22.4616 GPRESSAVG: 61200 44.5228 17.619 -10.5854 19.6017 -21.1558 -33.2676 -10.6017 -32.5705 22.9065 TIMING: 61200 CPU: 182.47, 0.00297951/step Wall: 182.47, 0.00297951/step, 4.08756 hours remaining, 199.796875 MB of memory in use. ENERGY: 61200 715.2484 2093.2442 1945.3833 107.6119 -206061.1887 17740.6366 0.0000 0.0000 34550.6315 -148908.4328 301.7393 -183459.0643 -148807.9328 300.8230 116.2812 148.1732 557037.9174 15.3838 15.4245 PRESSURE: 61400 -224.015 -4.31957 84.421 -4.3194 -287.863 75.5374 84.4217 75.5365 200.606 GPRESSURE: 61400 -152.197 -91.6377 84.4601 68.6567 -215.127 -7.29263 60.6656 174.534 161.827 PRESSAVG: 61400 41.7083 56.181 -14.021 56.1809 -82.1196 21.1943 -14.0209 21.1943 8.17352 GPRESSAVG: 61400 43.2461 54.921 -14.5611 57.132 -81.8323 19.5726 -14.1961 19.1184 6.65966 TIMING: 61400 CPU: 183.064, 0.00297428/step Wall: 183.064, 0.00297428/step, 4.08022 hours remaining, 199.796875 MB of memory in use. ENERGY: 61400 764.4141 2023.6970 1935.0793 120.4434 -205763.9072 17633.9392 0.0000 0.0000 34515.9861 -148770.3482 301.4367 -183286.3343 -148675.4301 299.9860 -103.7575 -68.4990 558643.1399 -10.7459 -10.6422 PRESSURE: 61600 13.8777 -83.4907 -39.4084 -83.4904 -8.10591 -82.3354 -39.4067 -82.3356 73.0911 GPRESSURE: 61600 -30.3274 -87.7927 -97.5319 -53.7618 59.1542 -126.147 20.8698 -88.429 148.462 PRESSAVG: 61600 47.2629 10.4774 59.5593 10.4773 -59.6473 2.13357 59.5593 2.13358 27.2885 GPRESSAVG: 61600 46.306 11.1328 59.505 8.7403 -59.8441 4.2557 60.0354 3.49272 29.0655 TIMING: 61600 CPU: 183.661, 0.00298315/step Wall: 183.661, 0.00298315/step, 4.09222 hours remaining, 199.796875 MB of memory in use. ENERGY: 61600 731.3838 2060.2808 1917.9337 109.8256 -205927.3767 17872.9775 0.0000 0.0000 34381.3657 -148853.6095 300.2610 -183234.9751 -148753.8413 300.6444 26.2877 59.0963 558334.3339 4.9680 5.1758 PRESSURE: 61800 -125.511 164.186 8.95202 164.184 223.349 44.7847 8.95056 44.7844 -6.6338 GPRESSURE: 61800 -113.797 178.275 36.2485 140.169 248.86 -10.8539 19.9977 186.391 40.9879 PRESSAVG: 61800 8.60012 54.1627 7.14207 54.1628 45.2784 48.2056 7.14205 48.2057 19.4487 GPRESSAVG: 61800 9.32297 54.6642 7.79325 54.4702 44.5881 47.7459 7.27619 47.7723 19.3344 TIMING: 61800 CPU: 184.258, 0.00298458/step Wall: 184.258, 0.00298458/step, 4.09402 hours remaining, 199.796875 MB of memory in use. ENERGY: 61800 774.4872 2100.0095 1886.3074 111.7527 -205977.6892 17708.1737 0.0000 0.0000 34395.9027 -149001.0559 300.3880 -183396.9586 -148909.5977 300.1171 30.4012 58.6836 556578.9973 24.4424 24.4152 PRESSURE: 62000 104.945 -70.8251 61.7399 -70.8242 -211.407 81.5457 61.7414 81.5455 133.768 GPRESSURE: 62000 95.2307 -128.56 87.3758 -16.9141 -173.895 172.262 71.829 71.193 195.826 PRESSAVG: 62000 15.6915 3.46063 -14.6806 3.46065 14.6733 -12.0204 -14.6805 -12.0204 -31.7608 GPRESSAVG: 62000 14.5714 3.77226 -14.9111 3.03048 16.0143 -13.5207 -13.519 -11.5674 -31.7167 TIMING: 62000 CPU: 184.848, 0.00295139/step Wall: 184.848, 0.00295139/step, 4.04833 hours remaining, 199.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 62000 746.6009 2077.0627 1910.3116 112.9467 -205766.0671 17675.8800 0.0000 0.0000 34352.3583 -148890.9069 300.0077 -183243.2652 -148798.1659 300.2748 9.1021 39.0537 556524.8338 -0.4653 -0.3770 PRESSURE: 62200 89.2158 93.1872 -133.997 93.1864 -25.6675 8.8256 -133.996 8.82548 -64.6841 GPRESSURE: 62200 122.087 110.29 -206.527 54.4696 22.9255 -18.5221 -161.475 83.8664 -51.0588 PRESSAVG: 62200 -3.54356 6.60499 9.66082 6.60499 22.2576 35.1967 9.66076 35.1967 -6.25965 GPRESSAVG: 62200 -3.68162 5.91432 7.70971 8.25877 22.3168 35.9456 9.12544 34.7239 -6.47902 TIMING: 62200 CPU: 185.443, 0.00297595/step Wall: 185.443, 0.00297595/step, 4.08185 hours remaining, 199.867188 MB of memory in use. ENERGY: 62200 753.5235 2085.5496 1922.0290 119.5199 -205732.5369 17610.7956 0.0000 0.0000 34141.9373 -149099.1820 298.1700 -183241.1193 -149003.0884 300.3723 -0.3786 31.3180 556901.5518 4.1515 4.0520 PRESSURE: 62400 32.3047 151.239 -3.4451 151.237 -193.566 144.548 -3.44695 144.548 -224.713 GPRESSURE: 62400 75.8077 96.1932 -101.129 171.913 -170.334 168.848 33.5651 157.428 -199.346 PRESSAVG: 62400 18.844 -41.2507 22.213 -41.2507 -2.66548 29.2364 22.213 29.2364 18.3803 GPRESSAVG: 62400 19.4985 -41.5858 22.375 -43.8284 -2.72021 26.2929 22.4239 30.876 17.687 TIMING: 62400 CPU: 186.033, 0.00294779/step Wall: 186.033, 0.00294779/step, 4.04306 hours remaining, 199.867188 MB of memory in use. ENERGY: 62400 786.5444 2081.7568 1933.4319 120.4176 -206294.5412 17750.7501 0.0000 0.0000 34395.6238 -149226.0167 300.3855 -183621.6405 -149132.5812 299.7754 -128.6581 -97.9572 557037.4235 11.5196 11.4884 PRESSURE: 62600 138.995 15.3545 70.7363 15.3531 -195.84 53.6476 70.7359 53.6488 30.1237 GPRESSURE: 62600 181.23 -69.6756 10.3876 51.5653 -157.031 61.5446 101.042 66.0886 47.9379 PRESSAVG: 62600 25.9712 24.7692 -27.5127 24.769 -46.1633 -3.58184 -27.5128 -3.58199 -10.8474 GPRESSAVG: 62600 24.8321 25.0377 -26.2652 26.0699 -45.7253 -1.41582 -27.7698 -4.83096 -10.4555 TIMING: 62600 CPU: 186.627, 0.00297252/step Wall: 186.627, 0.00297252/step, 4.07682 hours remaining, 199.867188 MB of memory in use. ENERGY: 62600 781.4098 2110.2034 1920.1138 113.9063 -206280.7635 17799.8110 0.0000 0.0000 34498.4081 -149056.9109 301.2832 -183555.3191 -148952.1857 299.7806 -8.9070 24.0455 556453.5068 -10.3465 -10.4496 PRESSURE: 62800 51.6828 -144.27 -131.005 -144.271 -53.6103 6.67114 -131.005 6.67162 202.624 GPRESSURE: 62800 82.6354 -206.053 -159.24 -80.6534 -95.5505 -82.3909 -67.5748 105.954 311.873 PRESSAVG: 62800 -38.3458 7.34526 29.8543 7.34514 19.9225 -6.39116 29.8544 -6.39121 45.2341 GPRESSAVG: 62800 -37.4205 6.01639 29.4554 7.44999 18.8807 -6.51839 28.1216 -4.64602 45.4847 TIMING: 62800 CPU: 187.223, 0.00297918/step Wall: 187.223, 0.00297918/step, 4.08578 hours remaining, 199.867188 MB of memory in use. ENERGY: 62800 733.0132 2100.6285 1969.8659 106.3239 -206102.6373 17762.9917 0.0000 0.0000 34388.3187 -149041.4955 300.3217 -183429.8142 -148943.9748 300.0029 66.8989 99.6525 557066.3031 8.9370 8.9816 PRESSURE: 63000 -13.7735 53.4329 173.662 53.4331 154.64 -78.6176 173.661 -78.6168 115.686 GPRESSURE: 63000 -43.9529 56.4504 192.526 88.3508 271.13 -48.5467 111.52 -159.077 137.245 PRESSAVG: 63000 13.1467 34.5112 21.2297 34.5113 -15.9789 -39.8465 21.2297 -39.8465 -36.0425 GPRESSAVG: 63000 13.139 33.7834 21.3638 35.1467 -15.7607 -39.2694 23.1716 -40.5998 -36.081 TIMING: 63000 CPU: 187.812, 0.00294488/step Wall: 187.812, 0.00294488/step, 4.03858 hours remaining, 199.867188 MB of memory in use. ENERGY: 63000 762.1250 2058.4695 1943.6853 122.1822 -206468.2235 18051.9952 0.0000 0.0000 34355.9957 -149173.7706 300.0395 -183529.7663 -149075.9032 299.5090 85.5175 121.4741 557523.2139 -12.9582 -12.9009 PRESSURE: 63200 -128.662 -133.642 156.53 -133.642 252.946 -52.6133 156.53 -52.6126 10.7726 GPRESSURE: 63200 -78.5325 -156.117 173.58 -163.556 281.569 -72.0938 87.283 -19.8115 35.3034 PRESSAVG: 63200 19.6731 -18.0972 64.6659 -18.0972 59.4954 32.0678 64.6658 32.0679 -87.1347 GPRESSAVG: 63200 18.9515 -17.6714 66.377 -19.547 60.697 33.259 64.3475 29.6783 -87.144 TIMING: 63200 CPU: 188.403, 0.00295444/step Wall: 188.403, 0.00295444/step, 4.05152 hours remaining, 199.867188 MB of memory in use. ENERGY: 63200 725.1684 2055.7403 1919.8126 108.0547 -206119.1298 17875.1290 0.0000 0.0000 34342.7289 -149092.4959 299.9236 -183435.2248 -149002.2961 299.9184 45.0191 79.4467 558385.2273 -2.6554 -2.4985 PRESSURE: 63400 209.057 8.16673 12.0064 8.16583 169.39 28.6714 12.0054 28.6714 205.602 GPRESSURE: 63400 262.732 107.743 51.1089 -26.561 240.343 120.079 22.2711 83.6735 172.754 PRESSAVG: 63400 -40.7474 0.438496 3.53834 0.438444 -6.30248 29.7434 3.53834 29.7432 6.31482 GPRESSAVG: 63400 -40.0606 -0.117428 0.461274 2.33564 -5.35421 27.6012 4.71911 32.3635 4.80179 TIMING: 63400 CPU: 189.005, 0.00300905/step Wall: 189.005, 0.00300905/step, 4.12624 hours remaining, 199.867188 MB of memory in use. ENERGY: 63400 720.3315 2146.1452 1934.2770 112.5921 -207166.2692 18313.2557 0.0000 0.0000 34506.9771 -149432.6907 301.3580 -183939.6678 -149327.5745 298.6762 194.6832 225.2766 557792.0391 -13.5784 -13.5377 PRESSURE: 63600 -108.597 -185.027 -82.4701 -185.029 8.77461 -37.4849 -82.4694 -37.4858 -387.066 GPRESSURE: 63600 -29.1168 -120.44 -61.393 -189.888 56.7752 -135.438 -34.7841 22.2217 -420.243 PRESSAVG: 63600 -25.8405 17.4345 -9.20477 17.4345 -15.3529 3.21387 -9.20479 3.21375 30.4482 GPRESSAVG: 63600 -25.0903 17.3907 -7.83627 18.2098 -16.6749 3.04767 -9.41549 3.52716 30.3404 TIMING: 63600 CPU: 189.603, 0.00299145/step Wall: 189.603, 0.00299145/step, 4.10195 hours remaining, 199.867188 MB of memory in use. ENERGY: 63600 796.0816 2029.2984 1945.3162 126.3879 -205957.4942 17575.5365 0.0000 0.0000 34159.3755 -149325.4980 298.3223 -183484.8736 -149226.1754 299.1313 -162.2961 -130.8615 558633.3268 -3.5817 -3.8083 PRESSURE: 63800 -240.832 -32.7187 20.5282 -32.72 70.6904 127.608 20.528 127.609 85.1436 GPRESSURE: 63800 -213.185 -28.8409 78.0541 -34.3168 60.8279 152.901 19.9359 20.3774 141.549 PRESSAVG: 63800 -57.0274 -9.36077 29.209 -9.3607 39.8404 10.6222 29.2089 10.6223 -8.41893 GPRESSAVG: 63800 -57.8007 -9.83693 30.4625 -10.0432 39.0161 9.88257 29.6794 10.6919 -7.69938 TIMING: 63800 CPU: 190.204, 0.00300589/step Wall: 190.204, 0.00300589/step, 4.12158 hours remaining, 199.867188 MB of memory in use. ENERGY: 63800 719.3790 2103.1152 1931.3926 110.6622 -206498.1736 17788.2765 0.0000 0.0000 34579.2352 -149266.1129 301.9891 -183845.3481 -149166.1493 299.6820 -28.3326 -3.6027 557788.5562 -8.5353 -8.8280 PRESSURE: 64000 -123.013 49.1199 -36.6646 49.1206 28.3802 48.3826 -36.6658 48.3828 -76.8602 GPRESSURE: 64000 -50.9752 61.8037 -33.2275 106.706 71.1471 43.358 -74.6041 100.468 -87.8635 PRESSAVG: 64000 20.8057 -28.3259 -12.5345 -28.326 11.4284 -38.3146 -12.5345 -38.3146 5.87711 GPRESSAVG: 64000 20.5526 -25.3054 -12.7836 -30.7704 10.9494 -38.4464 -12.9943 -38.7376 6.51526 TIMING: 64000 CPU: 190.803, 0.00299332/step Wall: 190.803, 0.00299332/step, 4.10418 hours remaining, 199.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 64000 773.3061 2086.1687 1930.8113 135.0979 -205994.4438 17668.7490 0.0000 0.0000 34164.0330 -149236.2778 298.3630 -183400.3108 -149141.9323 299.1577 -57.1642 -22.5638 558582.8910 12.7037 12.6724 PRESSURE: 64200 -50.3237 43.547 -30.8579 43.5475 -7.35393 -62.3101 -30.8577 -62.3097 156.306 GPRESSURE: 64200 -8.75066 58.8195 -37.4542 -14.5163 29.3219 79.0474 -81.7452 -72.2352 183.476 PRESSAVG: 64200 -12.3523 -22.6036 -14.27 -22.6036 -5.51207 -22.8585 -14.27 -22.8583 -6.6391 GPRESSAVG: 64200 -12.9108 -24.2112 -13.7464 -21.5858 -3.15271 -21.6988 -15.6533 -21.2223 -8.04886 TIMING: 64200 CPU: 191.404, 0.00300571/step Wall: 191.404, 0.00300571/step, 4.12099 hours remaining, 199.875000 MB of memory in use. ENERGY: 64200 733.1583 2039.7863 1922.7233 123.4794 -206281.7676 17999.8178 0.0000 0.0000 34263.5085 -149199.2941 299.2317 -183462.8026 -149111.2463 299.5540 32.8760 68.0157 558544.2696 -8.1678 -8.0375 LDB: ============= START OF LOAD BALANCING ============== 194.958 LDB: ============== END OF LOAD BALANCING =============== 194.959 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 194.96 LDB: ============= START OF LOAD BALANCING ============== 195.263 LDB: Largest compute 4795 load 0.027565 is 23.4% of average load 0.117960 LDB: Average compute 0.001726 is 1.5% of average load 0.117960 LDB: TIME 195.265 LOAD: AVG 0.11796 MAX 0.210113 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 200.113 MB LDB: TIME 195.265 LOAD: AVG 0.11796 MAX 0.210113 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.312 MB LDB: TIME 195.265 LOAD: AVG 0.11796 MAX 0.210113 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.312 MB LDB: ============== END OF LOAD BALANCING =============== 195.267 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 195.271 PRESSURE: 64400 9.90224 48.0451 -44.1088 48.0445 -229.313 7.16615 -44.1108 7.16636 3.63357 GPRESSURE: 64400 70.1659 27.5316 -79.112 15.8436 -161.343 -20.7608 14.2999 74.2141 -24.4804 PRESSAVG: 64400 33.8324 53.6186 -28.529 53.6186 -18.5029 2.88058 -28.529 2.88059 22.1054 GPRESSAVG: 64400 33.9516 52.3283 -30.806 55.7552 -20.5689 2.1146 -25.8906 1.23747 23.7603 TIMING: 64400 CPU: 192.021, 0.00308612/step Wall: 192.021, 0.00308612/step, 4.23107 hours remaining, 200.132812 MB of memory in use. ENERGY: 64400 795.4609 2088.7536 1951.4190 114.1316 -206019.0164 17795.9664 0.0000 0.0000 34195.6344 -149077.6506 298.6390 -183273.2850 -148976.1209 298.9535 -71.9256 -38.5525 558874.0754 12.4783 12.3810 PRESSURE: 64600 110.068 9.132 123.321 9.13084 -135.006 101.709 123.323 101.708 195.381 GPRESSURE: 64600 115.014 47.7624 176.664 7.63007 -74.5854 39.3673 98.3841 87.8627 225.543 PRESSAVG: 64600 -22.7907 -2.84541 19.6394 -2.84536 -50.1156 61.5523 19.6395 61.5523 86.0334 GPRESSAVG: 64600 -22.7613 -3.54852 20.3482 -3.38549 -49.1005 61.7325 19.2844 62.8173 85.1782 TIMING: 64600 CPU: 192.624, 0.00301088/step Wall: 192.624, 0.00301088/step, 4.12774 hours remaining, 200.132812 MB of memory in use. ENERGY: 64600 719.6368 2154.0357 1941.9887 114.3570 -206213.0310 17897.5621 0.0000 0.0000 34393.8601 -148991.5906 300.3701 -183385.4507 -148892.8414 299.7090 56.8145 88.6573 557615.2110 4.3757 4.4388 PRESSURE: 64800 -135.25 -13.6951 52.1762 -13.6958 -31.0871 -106.704 52.1756 -106.704 -102.255 GPRESSURE: 64800 -123.673 29.6829 50.5098 -45.6102 -9.82217 -86.91 -28.7885 -136.777 -34.264 PRESSAVG: 64800 43.7754 -27.7425 51.3696 -27.7425 -44.7687 15.9845 51.3696 15.9846 11.9386 GPRESSAVG: 64800 43.5515 -27.0457 50.2719 -29.9418 -45.1301 15.3652 50.5082 17.4116 12.0906 TIMING: 64800 CPU: 193.222, 0.00298945/step Wall: 193.222, 0.00298945/step, 4.09821 hours remaining, 200.132812 MB of memory in use. ENERGY: 64800 709.1110 2065.6676 1927.6236 129.4427 -206269.1166 17674.0858 0.0000 0.0000 34315.4915 -149447.6944 299.6857 -183763.1859 -149348.9581 299.3741 -89.5307 -55.9196 557903.9538 3.6484 3.5040 PRESSURE: 65000 -14.2303 -114.611 -150.502 -114.611 -133.635 63.1639 -150.503 63.1641 -127.796 GPRESSURE: 65000 22.3913 -128.044 -172.083 -76.3031 -53.7188 4.17467 -122.262 71.683 -148.043 PRESSAVG: 65000 -17.6437 -10.1974 -16.2078 -10.1974 43.9091 2.56762 -16.2078 2.56759 -26.8213 GPRESSAVG: 65000 -17.473 -9.14634 -15.1075 -8.38089 45.0877 2.87641 -15.0353 0.998559 -28.3743 TIMING: 65000 CPU: 193.822, 0.00300311/step Wall: 193.822, 0.00300311/step, 4.11676 hours remaining, 200.132812 MB of memory in use. ENERGY: 65000 736.9176 2056.3371 1913.9961 96.9612 -206119.2288 17585.8673 0.0000 0.0000 34398.1539 -149330.9956 300.4076 -183729.1495 -149224.2288 299.6834 -91.8873 -59.7902 556826.4694 -0.1853 -0.2532 PRESSURE: 65200 223.931 108.992 -72.906 108.992 -15.3559 -46.5236 -72.9069 -46.5242 216.194 GPRESSURE: 65200 292.784 -1.14574 -70.9837 117.885 15.3515 43.8481 -85.6639 -135.398 214.501 PRESSAVG: 65200 9.40553 34.4099 21.4446 34.4098 -6.3906 -11.0918 21.4446 -11.0917 39.5696 GPRESSAVG: 65200 10.6916 34.5206 20.7869 34.3748 -8.31748 -9.42075 21.4927 -11.6508 39.9891 TIMING: 65200 CPU: 194.421, 0.00299266/step Wall: 194.421, 0.00299266/step, 4.10228 hours remaining, 200.132812 MB of memory in use. ENERGY: 65200 737.1861 2023.6045 1907.9416 111.6931 -206679.5927 18243.8077 0.0000 0.0000 34109.9685 -149545.3911 297.8908 -183655.3597 -149447.6945 299.0617 141.5897 174.2124 557033.9368 14.1948 14.1211 PRESSURE: 65400 -29.714 106.524 -16.2963 106.523 16.6823 -14.8264 -16.296 -14.8265 -52.8695 GPRESSURE: 65400 -5.12023 110.681 72.96 195.227 103.9 -6.91181 0.590023 -32.7711 -60.4904 PRESSAVG: 65400 -26.0354 18.4388 1.93014 18.4388 60.0559 33.9975 1.93002 33.9975 1.6382 GPRESSAVG: 65400 -27.1728 17.1729 1.49606 18.315 61.2145 35.08 2.77903 31.8855 1.67428 TIMING: 65400 CPU: 195.015, 0.00297198/step Wall: 195.015, 0.00297198/step, 4.07376 hours remaining, 200.132812 MB of memory in use. ENERGY: 65400 748.0486 2089.4430 1906.8011 113.9473 -206821.4184 17977.3082 0.0000 0.0000 34358.9013 -149626.9689 300.0648 -183985.8702 -149528.2820 298.9379 -21.9670 12.7631 557170.0324 11.8862 11.9053 PRESSURE: 65600 94.8845 -53.836 160.104 -53.8371 -182.183 40.2644 160.103 40.2644 20.7873 GPRESSURE: 65600 116.023 -97.3704 134.614 -47.5165 -132.923 54.6797 82.0342 147.872 58.6718 PRESSAVG: 65600 -51.5744 -22.2767 13.2513 -22.2767 56.6894 -12.8154 13.2513 -12.8153 17.5821 GPRESSAVG: 65600 -52.2601 -20.6631 14.5371 -22.963 57.6969 -15.2761 10.4018 -10.6952 17.7439 TIMING: 65600 CPU: 195.614, 0.00299655/step Wall: 195.614, 0.00299655/step, 4.10727 hours remaining, 200.132812 MB of memory in use. ENERGY: 65600 729.0196 2095.6388 1936.4638 117.2396 -206213.8202 17652.1651 0.0000 0.0000 34124.5910 -149558.7025 298.0185 -183683.2934 -149462.1930 298.7910 -22.1702 13.9241 555892.0108 7.5657 7.7269 PRESSURE: 65800 -37.0317 -113.736 119.17 -113.737 -336.197 -119.415 119.17 -119.416 -174.067 GPRESSURE: 65800 -35.8837 -15.1634 184.852 -144.128 -339.709 -174.499 121.96 -118.467 -62.2364 PRESSAVG: 65800 26.1966 -2.67193 81.3576 -2.67188 -22.3444 0.0174254 81.3576 0.0175057 27.4415 GPRESSAVG: 65800 27.5667 -3.74777 79.9499 -0.758664 -23.8981 -2.41185 82.7735 1.63261 27.1915 TIMING: 65800 CPU: 196.211, 0.00298302/step Wall: 196.211, 0.00298302/step, 4.08855 hours remaining, 200.132812 MB of memory in use. ENERGY: 65800 736.5759 2060.7519 1923.4430 116.2782 -206045.8025 17426.3033 0.0000 0.0000 34304.3974 -149478.0528 299.5888 -183782.4502 -149380.2314 298.0431 -182.4317 -145.9430 556641.7949 10.4312 10.2867 PRESSURE: 66000 -132.509 -55.2343 84.5571 -55.2337 -114.68 -177.126 84.5566 -177.124 133.208 GPRESSURE: 66000 -93.4637 -23.0773 -10.5727 -42.4698 -40.5663 -233.275 131.349 -132.429 117.558 PRESSAVG: 66000 64.8922 -5.13642 27.6345 -5.13641 1.81154 18.0445 27.6345 18.0446 -21.5425 GPRESSAVG: 66000 63.8077 -6.04022 28.8862 -6.00327 3.57738 20.4555 27.7662 16.5298 -21.7088 TIMING: 66000 CPU: 196.806, 0.00297396/step Wall: 196.806, 0.00297396/step, 4.07597 hours remaining, 200.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 66000 733.9093 2043.4244 1923.7808 111.7766 -206457.3590 17840.9994 0.0000 0.0000 34272.2989 -149531.1697 299.3085 -183803.4686 -149434.0960 299.4028 -37.9937 -5.4906 557562.4045 15.0538 15.2254 PRESSURE: 66200 104.104 2.2057 172.117 2.20659 -241.998 -128.8 172.119 -128.8 -174.863 GPRESSURE: 66200 171 16.4708 189.296 -35.4423 -178.526 -72.5442 99.4126 -171.19 -208.946 PRESSAVG: 66200 -12.9863 -11.3743 0.466793 -11.3743 -9.32275 -38.2479 0.466853 -38.2478 22.4287 GPRESSAVG: 66200 -11.8718 -8.57938 0.285976 -14.305 -10.5536 -37.4066 0.747413 -39.4343 22.2747 TIMING: 66200 CPU: 197.404, 0.00299076/step Wall: 197.404, 0.00299076/step, 4.09884 hours remaining, 200.132812 MB of memory in use. ENERGY: 66200 756.2377 2067.5282 1946.7926 117.7158 -206333.5676 17761.5072 0.0000 0.0000 34300.0809 -149383.7050 299.5511 -183683.7859 -149288.3561 299.1600 -104.2525 -72.1571 558686.6302 0.0399 -0.0503 PRESSURE: 66400 33.8353 72.8559 -35.7627 72.8585 -26.0489 68.444 -35.7624 68.4448 -165.574 GPRESSURE: 66400 -0.770687 17.5811 -108.269 99.7092 37.3336 52.567 -40.1466 95.4557 -102.362 PRESSAVG: 66400 97.4558 43.5539 -44.448 43.5539 3.23627 -22.0379 -44.448 -22.038 -52.1933 GPRESSAVG: 66400 97.6811 44.0186 -45.1777 44.211 3.19215 -24.3231 -43.8164 -21.0591 -52.4092 TIMING: 66400 CPU: 197.999, 0.00297516/step Wall: 197.999, 0.00297516/step, 4.0773 hours remaining, 200.132812 MB of memory in use. ENERGY: 66400 750.3010 2071.4438 1934.2955 100.6063 -206470.4012 17924.5158 0.0000 0.0000 34247.2812 -149441.9577 299.0900 -183689.2389 -149350.8669 299.1407 -52.5959 -21.9331 557587.0596 16.1663 16.1547 PRESSURE: 66600 -149.143 129.604 18.376 129.605 4.04733 -24.3827 18.3756 -24.3816 176.257 GPRESSURE: 66600 -76.9651 138.657 35.088 71.6543 17.9285 52.7696 35.0023 -75.0287 183.399 PRESSAVG: 66600 -6.43312 16.0159 1.9134 16.0159 -36.6092 19.4085 1.9134 19.4084 35.845 GPRESSAVG: 66600 -5.6705 14.7277 3.13207 16.3673 -37.1361 21.3097 2.55437 18.1654 35.9251 TIMING: 66600 CPU: 198.592, 0.00296574/step Wall: 198.592, 0.00296574/step, 4.06422 hours remaining, 200.132812 MB of memory in use. ENERGY: 66600 720.9012 2053.0664 1940.4860 108.2011 -206367.6442 17807.1883 0.0000 0.0000 34176.8379 -149560.9634 298.4748 -183737.8013 -149460.2560 298.9293 10.3868 41.4541 556201.8757 -2.3991 -2.2938 PRESSURE: 66800 -41.7877 -17.1383 -55.8024 -17.1377 145.482 -17.2044 -55.8037 -17.2064 8.46072 GPRESSURE: 66800 22.5771 9.85687 -95.2571 44.2633 191.342 -95.3759 -49.2452 -10.3427 -7.69919 PRESSAVG: 66800 -46.1127 61.54 -26.7832 61.5401 37.5003 -4.57185 -26.7833 -4.57178 7.88553 GPRESSAVG: 66800 -46.1555 60.7743 -28.2284 61.3429 37.1098 -5.65281 -27.529 -2.15296 8.28351 TIMING: 66800 CPU: 199.179, 0.00293686/step Wall: 199.179, 0.00293686/step, 4.02447 hours remaining, 200.132812 MB of memory in use. ENERGY: 66800 694.3470 1986.3976 1921.2946 119.4160 -206299.3658 17715.1710 0.0000 0.0000 34182.5671 -149680.1726 298.5249 -183862.7396 -149579.0968 298.2008 37.3851 68.7400 555894.7244 -0.2423 -0.2541 PRESSURE: 67000 -285.327 7.79422 167.238 7.79499 -123.216 -113.872 167.236 -113.873 -242.027 GPRESSURE: 67000 -236.206 6.50167 203.021 17.0556 -122.984 -149.195 132.813 -130.943 -184.451 PRESSAVG: 67000 -43.0475 -7.04543 13.973 -7.04537 -56.4745 4.50368 13.9728 4.50356 95.4794 GPRESSAVG: 67000 -44.0783 -5.39341 13.6452 -6.98339 -54.8768 5.86235 13.593 3.73282 95.3101 TIMING: 67000 CPU: 199.766, 0.00293201/step Wall: 199.766, 0.00293201/step, 4.01767 hours remaining, 200.132812 MB of memory in use. ENERGY: 67000 727.8651 2020.8995 1925.3164 117.4413 -206092.9435 17512.7796 0.0000 0.0000 34283.1489 -149505.4927 299.4033 -183788.6416 -149409.5642 298.5035 -216.8567 -181.2134 557819.2041 -1.3475 -1.2150 PRESSURE: 67200 4.35684 21.9896 -52.2955 21.9902 5.48421 -55.4281 -52.2952 -55.4283 -215.262 GPRESSURE: 67200 -10.2958 -2.08181 -45.2727 68.0537 71.4063 -97.4728 -31.035 38.4058 -163.52 PRESSAVG: 67200 65.4681 -4.68593 -9.4073 -4.68593 -14.2844 -7.87176 -9.40733 -7.87179 -54.2956 GPRESSAVG: 67200 65.4946 -7.3999 -8.34886 -3.76241 -14.1451 -9.15131 -10.0216 -8.88955 -54.3944 TIMING: 67200 CPU: 200.365, 0.00299383/step Wall: 200.365, 0.00299383/step, 4.10221 hours remaining, 200.132812 MB of memory in use. ENERGY: 67200 743.8375 2082.9096 1885.0063 107.8744 -206652.3139 18122.9160 0.0000 0.0000 34030.1218 -149679.6483 297.1935 -183709.7700 -149581.1420 298.5308 -68.4737 -34.1363 558277.7815 -1.0373 -1.0150 PRESSURE: 67400 -70.8575 131.894 51.53 131.892 -80.9839 -111.79 51.5298 -111.789 -182.588 GPRESSURE: 67400 38.9427 129.768 26.9723 100.624 -107.38 -122.95 -19.1318 -173.929 -158.142 PRESSAVG: 67400 25.4836 2.29979 -5.12362 2.29961 -0.490486 -13.65 -5.1236 -13.65 -6.60987 GPRESSAVG: 67400 24.4429 3.73096 -6.08769 1.16924 -0.390764 -13.4327 -4.23877 -11.9538 -5.331 TIMING: 67400 CPU: 200.956, 0.00295906/step Wall: 200.956, 0.00295906/step, 4.05441 hours remaining, 200.132812 MB of memory in use. ENERGY: 67400 701.5038 2053.6384 1913.4739 107.0922 -206219.2662 17729.2431 0.0000 0.0000 34109.7104 -149604.6044 297.8886 -183714.3148 -149507.8469 297.9216 -111.4765 -75.5262 558802.8425 6.1277 6.2404 PRESSURE: 67600 114.248 72.7456 -198.47 72.7456 94.9466 -82.4943 -198.47 -82.4941 -206.919 GPRESSURE: 67600 128.54 133.747 -184.249 27.191 93.6551 -74.1678 -179.682 -68.7867 -125.584 PRESSAVG: 67600 22.9044 -31.4731 -4.77611 -31.4732 -8.71746 8.20307 -4.77605 8.20297 -20.4538 GPRESSAVG: 67600 24.3224 -33.4297 -4.94413 -29.4679 -9.27516 8.98742 -5.51552 7.60302 -21.2734 TIMING: 67600 CPU: 201.549, 0.00296372/step Wall: 201.549, 0.00296372/step, 4.06063 hours remaining, 200.132812 MB of memory in use. ENERGY: 67600 706.2580 2017.7073 1955.2330 109.5855 -206573.0254 17908.1942 0.0000 0.0000 34157.9666 -149718.0808 298.3100 -183876.0473 -149620.3738 297.7479 0.7586 32.2037 556191.3338 -2.0890 -2.0754 PRESSURE: 67800 -82.2303 147.912 53.9687 147.914 -77.3331 -20.4676 53.969 -20.4686 -129.014 GPRESSURE: 67800 -54.211 109.592 -27.8137 94.1392 -43.3182 72.0341 39.6788 -86.9221 -90.8994 PRESSAVG: 67800 -11.7576 14.2989 -10.3386 14.2988 70.9936 22.7194 -10.3385 22.7195 -65.9286 GPRESSAVG: 67800 -11.6201 15.7425 -10.2278 13.3111 69.916 23.4547 -9.03185 22.1372 -65.0036 TIMING: 67800 CPU: 202.144, 0.00297325/step Wall: 202.144, 0.00297325/step, 4.07352 hours remaining, 200.132812 MB of memory in use. ENERGY: 67800 733.0607 2069.7535 1922.3064 109.7672 -206286.1524 17648.2067 0.0000 0.0000 34179.5781 -149623.4798 298.4988 -183803.0579 -149523.9325 298.0468 -96.1926 -62.8096 557033.6626 -2.2309 -2.2359 PRESSURE: 68000 -78.0058 -50.8137 29.6995 -50.8144 159.917 95.0098 29.7002 95.0099 109.093 GPRESSURE: 68000 -11.9996 -93.896 40.7539 -41.8223 124.19 7.66035 0.765323 158.02 169.728 PRESSAVG: 68000 1.32374 27.2674 32.2537 27.2674 -38.4642 14.1791 32.2537 14.1792 12.6215 GPRESSAVG: 68000 0.542821 26.8739 32.702 28.2532 -37.5906 11.1674 31.1197 14.4198 12.0124 TIMING: 68000 CPU: 202.737, 0.00296736/step Wall: 202.737, 0.00296736/step, 4.06528 hours remaining, 200.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 68000 707.5217 2066.6873 1956.1612 104.8049 -206198.3605 18014.0323 0.0000 0.0000 33883.4663 -149465.6869 295.9127 -183349.1532 -149362.3766 298.3976 63.6682 93.9727 558608.0368 -8.1730 -8.3451 PRESSURE: 68200 -64.6459 -126.016 -192.424 -126.016 -131.329 98.3324 -192.425 98.3313 213.715 GPRESSURE: 68200 -7.38436 -156.541 -170.99 -214.488 -111.104 92.7128 -130.086 57.4016 240.574 PRESSAVG: 68200 21.0886 21.3876 0.448994 21.3876 -14.2338 20.5201 0.449038 20.52 -4.89775 GPRESSAVG: 68200 22.0567 21.9648 0.496705 20.1379 -14.5952 20.3154 1.80693 20.4821 -5.40986 TIMING: 68200 CPU: 203.334, 0.00298243/step Wall: 203.334, 0.00298243/step, 4.08576 hours remaining, 200.132812 MB of memory in use. ENERGY: 68200 760.0020 2072.5993 1931.3127 111.1165 -205940.5813 17574.2912 0.0000 0.0000 34238.6089 -149252.6507 299.0143 -183491.2596 -149151.5393 299.2089 5.9133 40.6951 556842.8555 0.6523 0.6839 LDB: ============= START OF LOAD BALANCING ============== 206.881 LDB: ============== END OF LOAD BALANCING =============== 206.881 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 206.883 LDB: ============= START OF LOAD BALANCING ============== 207.179 LDB: Largest compute 4795 load 0.028345 is 24.0% of average load 0.118009 LDB: Average compute 0.001726 is 1.5% of average load 0.118009 LDB: TIME 207.182 LOAD: AVG 0.118009 MAX 0.206796 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 199.918 MB LDB: TIME 207.182 LOAD: AVG 0.118009 MAX 0.206796 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.117 MB LDB: TIME 207.182 LOAD: AVG 0.118009 MAX 0.206796 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.117 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 207.184 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 207.188 PRESSURE: 68400 56.4879 -15.0409 16.4656 -15.042 -88.0581 -115.756 16.4657 -115.755 -172.465 GPRESSURE: 68400 68.1296 -82.5432 -3.6555 -26.9664 -64.6685 -131.153 -12.8521 -139.76 -117.284 PRESSAVG: 68400 -1.48936 -8.11209 30.1733 -8.11205 45.1528 33.2781 30.1734 33.2782 -31.8691 GPRESSAVG: 68400 -1.31323 -7.78368 29.0037 -7.81163 45.6788 34.6992 29.9972 31.1052 -32.8306 TIMING: 68400 CPU: 203.938, 0.00301896/step Wall: 203.938, 0.00301896/step, 4.13563 hours remaining, 199.207031 MB of memory in use. ENERGY: 68400 697.4532 2100.0229 1921.9087 112.1862 -206193.7708 17680.8003 0.0000 0.0000 34347.5344 -149333.8650 299.9656 -183681.3994 -149239.7940 298.9237 -68.0119 -37.9409 556727.1399 3.9314 3.8450 PRESSURE: 68600 -167.214 -68.4227 -90.43 -68.4221 81.0352 -164.608 -90.4292 -164.608 -4.24612 GPRESSURE: 68600 -149.706 -68.1282 -102.239 -102.103 112.658 -123.958 -95.9371 -140.32 32.4864 PRESSAVG: 68600 22.9268 -38.6414 -15.056 -38.6414 29.8588 29.4226 -15.056 29.4225 -33.5041 GPRESSAVG: 68600 21.2941 -38.0561 -14.8717 -38.6821 30.0584 29.584 -16.2258 31.2408 -32.1394 TIMING: 68600 CPU: 204.53, 0.00296378/step Wall: 204.53, 0.00296378/step, 4.05988 hours remaining, 199.207031 MB of memory in use. ENERGY: 68600 741.8299 2064.0989 1949.6086 124.2421 -206025.8416 17630.6514 0.0000 0.0000 34272.3963 -149243.0144 299.3094 -183515.4107 -149143.0633 299.4571 -30.1415 -1.5205 556896.2037 6.4272 6.4044 PRESSURE: 68800 44.9726 -13.2888 66.1055 -13.2883 260.547 56.1846 66.105 56.1852 -161.417 GPRESSURE: 68800 47.4109 -68.6098 35.0443 24.1189 287.796 55.456 89.1168 128.081 -105.928 PRESSAVG: 68800 33.6334 -10.525 -52.544 -10.5251 29.7851 -5.09738 -52.544 -5.09731 -68.4774 GPRESSAVG: 68800 34.223 -11.8183 -53.1277 -8.62745 29.1206 -6.81453 -51.9106 -3.68952 -68.3654 TIMING: 68800 CPU: 205.128, 0.00299/step Wall: 205.128, 0.00299/step, 4.09564 hours remaining, 199.207031 MB of memory in use. ENERGY: 68800 735.1552 2053.2412 1929.1207 117.6563 -206023.8555 17652.8792 0.0000 0.0000 34202.3002 -149333.5027 298.6972 -183535.8028 -149243.9150 299.0945 48.0340 76.4263 556663.6943 -1.6863 -1.6739 PRESSURE: 69000 -41.7797 -107.461 -53.6694 -107.462 41.8449 -58.457 -53.6691 -58.4575 117.746 GPRESSURE: 69000 -16.6768 -122.208 -79.1164 -49.1925 127.434 -50.6901 -68.7127 -41.4916 97.0439 PRESSAVG: 69000 -37.7551 -33.0024 -39.9203 -33.0024 -9.12736 -40.7128 -39.9203 -40.7128 -13.0439 GPRESSAVG: 69000 -37.4248 -30.6077 -38.7954 -33.9369 -8.48797 -40.7587 -39.0634 -41.3417 -14.0924 TIMING: 69000 CPU: 205.724, 0.0029768/step Wall: 205.724, 0.0029768/step, 4.07738 hours remaining, 199.207031 MB of memory in use. ENERGY: 69000 735.2705 2043.5903 1919.2286 109.0021 -205861.7502 17695.6885 0.0000 0.0000 34184.5682 -149174.4019 298.5423 -183358.9701 -149074.0475 299.1509 39.2705 69.2670 557813.4765 -19.9755 -20.0017 PRESSURE: 69200 -49.4504 14.2897 4.40221 14.2901 -349.483 110.304 4.40245 110.302 -208.236 GPRESSURE: 69200 -34.5885 -12.5157 2.98353 42.0594 -288.974 52.711 34.1731 89.1499 -176.715 PRESSAVG: 69200 39.1922 7.6308 -10.303 7.63072 -15.7993 -0.484305 -10.303 -0.484258 -36.7024 GPRESSAVG: 69200 39.1677 4.38495 -11.829 6.3544 -16.4327 0.893027 -12.1518 -2.26182 -34.9836 TIMING: 69200 CPU: 206.321, 0.00298687/step Wall: 206.321, 0.00298687/step, 4.09102 hours remaining, 199.207031 MB of memory in use. ENERGY: 69200 771.6085 2030.3559 1962.9175 105.7920 -205555.8037 17392.4948 0.0000 0.0000 34256.1540 -149036.4811 299.1675 -183292.6350 -148938.8735 299.0645 -202.3897 -166.7592 558058.7449 -4.4365 -4.0829 PRESSURE: 69400 -208.39 101.222 -53.0785 101.223 -82.5723 -23.2172 -53.0794 -23.2171 -43.2187 GPRESSURE: 69400 -182.51 47.9883 -40.7525 69.483 -55.7535 -12.9887 41.4902 -49.7306 16.9993 PRESSAVG: 69400 -18.3512 26.8483 -38.1065 26.8484 -3.37289 30.827 -38.1066 30.827 15.6684 GPRESSAVG: 69400 -17.268 27.9648 -35.7833 26.5528 -2.28125 30.6369 -35.9911 30.4388 13.7441 TIMING: 69400 CPU: 206.92, 0.00299231/step Wall: 206.92, 0.00299231/step, 4.0983 hours remaining, 199.207031 MB of memory in use. ENERGY: 69400 772.4578 2108.4418 1924.4873 110.5963 -205836.1849 17530.0595 0.0000 0.0000 34187.3225 -149202.8198 298.5664 -183390.1423 -149107.6472 299.2419 -111.3937 -73.7546 556635.2995 -2.0186 -1.9350 PRESSURE: 69600 61.3854 5.78607 122.965 5.78676 -26.8579 1.18525 122.965 1.18575 -79.3197 GPRESSURE: 69600 56.6561 28.3658 89.6678 -5.48961 23.7419 41.0423 118.008 -6.40306 -32.2198 PRESSAVG: 69600 -30.9401 39.98 -39.6497 39.98 50.8847 12.1528 -39.6497 12.1529 -38.0365 GPRESSAVG: 69600 -31.0653 38.5679 -41.6999 40.4006 48.8441 11.792 -40.5755 12.5164 -35.744 TIMING: 69600 CPU: 207.515, 0.00297466/step Wall: 207.515, 0.00297466/step, 4.07396 hours remaining, 199.207031 MB of memory in use. ENERGY: 69600 710.1365 2078.8171 1935.2111 110.3430 -205912.1143 17627.4211 0.0000 0.0000 34495.5183 -148954.6673 301.2579 -183450.1856 -148854.5243 300.0475 -14.9307 16.0594 558192.5473 -6.0307 -5.9884 PRESSURE: 69800 -217.02 147.816 68.5753 147.816 69.5152 319.252 68.5744 319.252 165.955 GPRESSURE: 69800 -192.958 130.958 44.0002 160.786 81.8449 286.3 43.9228 298.875 233.339 PRESSAVG: 69800 -58.0462 42.5642 8.17501 42.5642 -2.50528 56.5289 8.1749 56.5288 19.4184 GPRESSAVG: 69800 -57.8567 43.9119 9.5669 42.7025 -1.79271 56.8128 7.14018 57.0653 18.6087 TIMING: 69800 CPU: 208.108, 0.00296959/step Wall: 208.108, 0.00296959/step, 4.06686 hours remaining, 199.207031 MB of memory in use. ENERGY: 69800 719.8074 2045.5580 1934.0141 101.3857 -206239.4424 17856.1636 0.0000 0.0000 34482.2934 -149100.2203 301.1424 -183582.5137 -148999.0869 299.7742 6.1501 40.7420 558682.7138 -13.7110 -13.6802 PRESSURE: 70000 -15.2948 121.098 -37.2465 121.098 94.5301 161.111 -37.2464 161.11 122.704 GPRESSURE: 70000 -32.6332 88.8173 -61.0612 186.617 125.187 125.627 -112.497 229.654 209.41 PRESSAVG: 70000 -62.039 25.6474 32.7662 25.6474 -8.98826 39.7343 32.7662 39.7343 44.0393 GPRESSAVG: 70000 -62.2595 25.0581 32.6552 27.625 -8.59024 38.9821 32.8828 39.3203 44.2563 TIMING: 70000 CPU: 208.701, 0.00296378/step Wall: 208.701, 0.00296378/step, 4.05874 hours remaining, 199.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 70000 756.1657 2106.2609 1932.3493 123.6603 -206320.4297 18137.0998 0.0000 0.0000 34218.3457 -149046.5480 298.8373 -183264.8937 -148947.4322 299.5664 67.3131 100.6547 559461.5779 -8.9960 -8.8645 PRESSURE: 70200 -74.0793 91.359 -134.013 91.3601 -166.418 182.778 -134.013 182.778 147.882 GPRESSURE: 70200 -83.3472 34.6758 -128.443 165.38 -172.339 266.464 -120.388 181.169 246.887 PRESSAVG: 70200 -61.0035 21.4763 -30.5738 21.4763 -11.2546 47.4488 -30.5739 47.4489 93.1803 GPRESSAVG: 70200 -61.3537 22.701 -30.7769 19.5015 -11.6526 47.3232 -28.8267 47.9551 93.8116 TIMING: 70200 CPU: 209.303, 0.00301107/step Wall: 209.303, 0.00301107/step, 4.12333 hours remaining, 199.207031 MB of memory in use. ENERGY: 70200 722.9814 2109.3413 1955.6957 107.4727 -206233.1296 17912.5772 0.0000 0.0000 34304.3005 -149120.7608 299.5880 -183425.0614 -149023.8770 299.6528 -30.8717 -2.9331 558147.3103 6.9741 6.9351 PRESSURE: 70400 219.299 28.9141 -66.2537 28.9146 -60.254 31.964 -66.2533 31.9644 165.951 GPRESSURE: 70400 251.155 -53.1866 -58.322 50.506 -46.4972 -128.193 -38.9581 6.02795 221.345 PRESSAVG: 70400 -3.27958 30.0809 -8.39839 30.0809 -63.9738 81.3058 -8.39832 81.3058 120.919 GPRESSAVG: 70400 -2.83684 27.8773 -9.21263 31.9912 -62.8317 80.6233 -8.04268 80.8061 119.744 TIMING: 70400 CPU: 209.905, 0.00300777/step Wall: 209.905, 0.00300777/step, 4.11864 hours remaining, 199.207031 MB of memory in use. ENERGY: 70400 737.0180 2035.2631 1953.1696 103.3287 -206467.5580 18022.4612 0.0000 0.0000 34350.8111 -149265.5063 299.9942 -183616.3174 -149164.0474 298.8976 108.3319 142.0009 557327.5919 17.8886 18.0251 PRESSURE: 70600 110.618 78.7232 280.017 78.7251 -180.832 36.2791 280.018 36.2778 172.995 GPRESSURE: 70600 99.3313 67.9698 285.248 89.5236 -97.4778 -11.2081 295.777 17.1329 195.652 PRESSAVG: 70600 1.54628 68.3625 12.4769 68.3625 -48.802 2.01161 12.4768 2.01163 83.7698 GPRESSAVG: 70600 1.72599 69.3795 13.4137 66.6336 -48.9386 3.60696 13.445 3.03683 83.9727 TIMING: 70600 CPU: 210.509, 0.00301898/step Wall: 210.509, 0.00301898/step, 4.13382 hours remaining, 199.207031 MB of memory in use. ENERGY: 70600 724.5519 2072.9133 1922.9390 120.3131 -206105.1682 17862.4638 0.0000 0.0000 34124.1145 -149277.8725 298.0144 -183401.9870 -149192.1663 299.1221 34.2603 65.8351 558378.6147 12.1714 12.2534 PRESSURE: 70800 -159.559 -20.7755 -27.3945 -20.7755 -57.0599 -178.316 -27.3942 -178.315 -322.804 GPRESSURE: 70800 -115.226 -109.21 33.0229 28.4063 -53.1173 -150.054 -59.4082 -206.066 -282.081 PRESSAVG: 70800 -61.083 42.2524 48.5552 42.2524 19.6941 29.4483 48.5553 29.4482 -12.8067 GPRESSAVG: 70800 -61.5517 41.2886 49.7363 42.7935 20.1825 29.7603 44.8378 29.5457 -12.4584 TIMING: 70800 CPU: 211.11, 0.0030053/step Wall: 211.11, 0.0030053/step, 4.11492 hours remaining, 199.207031 MB of memory in use. ENERGY: 70800 730.9368 2081.2944 1940.2375 130.2150 -205903.0202 17550.3117 0.0000 0.0000 34176.8081 -149293.2166 298.4746 -183470.0247 -149199.0337 298.6761 -179.8077 -150.1412 558212.9407 -18.0652 -17.9426 PRESSURE: 71000 -30.089 -63.1351 86.3588 -63.1358 -71.2547 -92.27 86.3601 -92.2693 -65.7577 GPRESSURE: 71000 -6.84239 -33.9979 51.9463 -67.1611 -9.52222 -76.9794 116.127 -71.3888 -43.7049 PRESSAVG: 71000 13.4799 -33.6801 -23.5634 -33.6802 68.5613 -27.2035 -23.5634 -27.2037 -32.8434 GPRESSAVG: 71000 13.9521 -32.7179 -22.4715 -35.0181 69.3058 -29.8876 -22.8347 -25.047 -34.0723 TIMING: 71000 CPU: 211.708, 0.0029899/step Wall: 211.708, 0.0029899/step, 4.09368 hours remaining, 199.207031 MB of memory in use. ENERGY: 71000 704.4239 2015.7324 1934.5528 104.6013 -205884.7305 17604.5510 0.0000 0.0000 34328.3801 -149192.4890 299.7983 -183520.8691 -149084.4789 298.3458 -55.7005 -20.0232 557045.7303 16.3993 16.3952 PRESSURE: 71200 -48.3684 -108.31 111.907 -108.31 -9.44142 -68.8385 111.907 -68.8392 102.873 GPRESSURE: 71200 6.32331 -185.833 14.4024 -93.5242 15.6731 -112.364 103.973 -102.679 126.658 PRESSAVG: 71200 -7.29269 6.65055 6.10017 6.65049 0.675893 -6.78996 6.10014 -6.79011 23.1601 GPRESSAVG: 71200 -7.87094 6.46531 3.9048 7.32342 0.28217 -4.65477 6.92411 -9.25941 24.4043 TIMING: 71200 CPU: 212.303, 0.00297765/step Wall: 212.303, 0.00297765/step, 4.07673 hours remaining, 199.207031 MB of memory in use. ENERGY: 71200 706.5147 2085.9293 1935.0246 131.0044 -206501.8384 17850.0794 0.0000 0.0000 34509.9786 -149283.3072 301.3842 -183793.2858 -149194.1956 298.6009 15.0212 49.5513 555924.4230 5.5144 5.6052 PRESSURE: 71400 -72.3239 -93.9786 -55.2549 -93.9791 115.772 89.103 -55.254 89.1015 -129.904 GPRESSURE: 71400 18.762 -119.221 32.2639 -72.9006 122.34 107.587 28.522 82.8256 -147.045 PRESSAVG: 71400 -52.0902 23.9211 10.5849 23.9211 71.4928 36.0617 10.5849 36.0618 34.6986 GPRESSAVG: 71400 -51.408 24.1649 10.2104 24.2243 70.0171 36.4663 8.70162 35.4324 34.6396 TIMING: 71400 CPU: 212.898, 0.00297429/step Wall: 212.898, 0.00297429/step, 4.07197 hours remaining, 199.207031 MB of memory in use. ENERGY: 71400 762.2955 2032.0444 1944.1993 103.8035 -206236.0602 17799.8848 0.0000 0.0000 34264.8828 -149328.9500 299.2437 -183593.8328 -149245.5235 299.0756 -28.8188 -1.9810 557784.4672 18.0337 17.7496 PRESSURE: 71600 -151.662 151.578 -123.307 151.578 -65.7552 -91.8465 -123.306 -91.8477 -386.968 GPRESSURE: 71600 -109.649 96.8709 -169.91 165.473 -60.7547 -60.5473 -156.057 -117.816 -336.598 PRESSAVG: 71600 -67.5869 42.1504 -19.0307 42.1504 68.0647 -3.38529 -19.0307 -3.3854 6.59084 GPRESSAVG: 71600 -67.0449 43.0762 -16.3663 40.9708 68.9171 -2.65293 -18.3805 -2.80418 5.60314 TIMING: 71600 CPU: 213.49, 0.00296068/step Wall: 213.49, 0.00296068/step, 4.05317 hours remaining, 199.207031 MB of memory in use. ENERGY: 71600 733.4634 2058.3280 1937.8298 115.7625 -205625.2121 17404.7752 0.0000 0.0000 34131.0777 -149243.9754 298.0752 -183375.0532 -149143.7110 299.2969 -201.4616 -169.0006 558122.4027 2.3562 2.4918 PRESSURE: 71800 -207.208 182.274 -43.5468 182.274 37.2195 -186.488 -43.5465 -186.489 -186.612 GPRESSURE: 71800 -149.49 261.841 -52.1591 71.7822 10.765 -243.958 -0.158682 -81.0422 -117.685 PRESSAVG: 71800 -32.343 28.6615 24.6984 28.6616 5.77469 22.7002 24.6984 22.7002 -7.60844 GPRESSAVG: 71800 -31.3548 28.2077 21.8096 29.6922 4.99545 19.7041 25.5624 24.8837 -7.33075 TIMING: 71800 CPU: 214.081, 0.00295139/step Wall: 214.081, 0.00295139/step, 4.04028 hours remaining, 199.207031 MB of memory in use. ENERGY: 71800 771.5767 2069.8721 1950.7237 113.6781 -205895.5056 17712.9487 0.0000 0.0000 34333.8151 -148942.8913 299.8457 -183276.7064 -148844.0966 299.4016 -118.8668 -85.4699 557620.5625 -11.3923 -11.2300 PRESSURE: 72000 200.384 -54.6188 -20.3505 -54.6183 7.46671 -108.53 -20.3507 -108.529 -259.277 GPRESSURE: 72000 210.29 -6.6846 16.594 -93.5635 43.6735 -114.526 -63.1783 -81.1511 -213.478 PRESSAVG: 72000 -30.9964 -21.5108 -11.5563 -21.5108 63.2938 -18.1232 -11.5563 -18.1233 -41.4185 GPRESSAVG: 72000 -31.7222 -23.2325 -9.86935 -20.5261 63.42 -17.9245 -12.6681 -19.2308 -40.752 TIMING: 72000 CPU: 214.675, 0.00297041/step Wall: 214.675, 0.00297041/step, 4.06616 hours remaining, 199.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 72000 762.4929 2085.5383 1907.8691 107.7316 -205923.9936 17656.2954 0.0000 0.0000 34305.1837 -149098.8827 299.5957 -183404.0664 -148999.8553 299.7039 -17.1423 13.4952 557551.6635 -3.0404 -3.0181 PRESSURE: 72200 9.13519 89.156 -77.0693 89.1543 184.888 -96.3706 -77.068 -96.3705 147.9 GPRESSURE: 72200 -23.6065 98.816 -101.871 129.443 277.809 -67.3499 -94.8377 -138.644 179.476 PRESSAVG: 72200 8.79473 6.57678 -63.6418 6.57679 42.3099 -32.0836 -63.6418 -32.0836 -42.8194 GPRESSAVG: 72200 8.79461 7.25187 -65.688 5.99186 42.6417 -27.8364 -60.2971 -34.9646 -43.294 TIMING: 72200 CPU: 215.27, 0.00297463/step Wall: 215.27, 0.00297463/step, 4.07177 hours remaining, 199.207031 MB of memory in use. ENERGY: 72200 733.7140 2001.7828 1940.6445 117.4563 -206105.8602 17967.6793 0.0000 0.0000 34370.9782 -148973.6051 300.1703 -183344.5833 -148872.7080 299.6020 113.9742 144.5594 559362.3745 2.7617 2.7141 LDB: ============= START OF LOAD BALANCING ============== 218.816 LDB: ============== END OF LOAD BALANCING =============== 218.816 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 218.818 LDB: ============= START OF LOAD BALANCING ============== 219.117 LDB: Largest compute 4796 load 0.027583 is 23.4% of average load 0.118007 LDB: Average compute 0.001729 is 1.5% of average load 0.118007 LDB: TIME 219.119 LOAD: AVG 0.118007 MAX 0.209375 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 198.762 MB LDB: TIME 219.119 LOAD: AVG 0.118007 MAX 0.209375 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.762 MB LDB: TIME 219.12 LOAD: AVG 0.118007 MAX 0.209375 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 219.121 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 219.125 PRESSURE: 72400 -27.3731 68.4341 -30.6166 68.4341 33.97 142.092 -30.6167 142.093 -4.30053 GPRESSURE: 72400 -0.983882 57.3604 -8.49389 35.3582 119.589 75.2377 34.8651 141.816 -18.0373 PRESSAVG: 72400 -110.133 -38.8824 17.3959 -38.8825 54.6115 -44.3529 17.396 -44.3529 31.2467 GPRESSAVG: 72400 -110.099 -39.4533 16.407 -40.2788 55.5415 -45.5808 16.1816 -41.8829 30.4832 TIMING: 72400 CPU: 215.875, 0.00302845/step Wall: 215.875, 0.00302845/step, 4.14527 hours remaining, 201.847656 MB of memory in use. ENERGY: 72400 780.0165 1983.9598 1962.2265 105.7100 -205920.6582 17818.0570 0.0000 0.0000 34340.0821 -148930.6063 299.9005 -183270.6884 -148834.7404 299.6644 0.7655 33.5225 558156.6128 -8.0915 -8.0247 PRESSURE: 72600 -69.664 154.074 -77.1253 154.076 -143.628 -27.2431 -77.1256 -27.2418 -320.867 GPRESSURE: 72600 -23.2387 144.721 -103.95 169.968 -120.326 -60.1106 -166.587 -12.3382 -286.695 PRESSAVG: 72600 -8.56442 -2.65432 -1.95092 -2.65437 19.4084 -47.028 -1.9508 -47.0279 -24.1082 GPRESSAVG: 72600 -8.13764 -2.01405 -0.7519 -0.903668 18.4212 -48.3823 -1.26095 -46.0637 -23.4341 TIMING: 72600 CPU: 216.472, 0.00298148/step Wall: 216.472, 0.00298148/step, 4.08082 hours remaining, 201.847656 MB of memory in use. ENERGY: 72600 778.9521 2038.0185 1940.5163 103.9229 -205588.3965 17451.3657 0.0000 0.0000 34207.5551 -149068.0659 298.7431 -183275.6210 -148971.1704 299.1020 -178.0529 -143.4201 559457.8814 -4.4214 -4.3835 PRESSURE: 72800 66.9911 -86.05 -53.2111 -86.0506 -121.207 99.2079 -53.2126 99.2084 250.263 GPRESSURE: 72800 90.2955 -154.102 -47.8887 -53.7953 -91.0811 74.1186 -104.191 152.882 290.915 PRESSAVG: 72800 1.34213 24.189 19.8293 24.1891 25.643 -7.3441 19.8292 -7.34396 -43.1151 GPRESSAVG: 72800 1.15996 23.4546 18.7213 23.5677 26.2698 -6.96829 19.5564 -7.65347 -43.3987 TIMING: 72800 CPU: 217.063, 0.00295467/step Wall: 217.063, 0.00295467/step, 4.04396 hours remaining, 201.847656 MB of memory in use. ENERGY: 72800 760.5935 2128.8630 1924.8728 107.3335 -205981.1296 17847.0698 0.0000 0.0000 34278.4863 -148933.9107 299.3625 -183212.3970 -148846.0217 299.5795 65.3489 96.7096 557962.5144 -5.3767 -5.3230 PRESSURE: 73000 -46.0417 132.988 -124.938 132.988 -111.002 100.496 -124.938 100.495 -130.362 GPRESSURE: 73000 -9.68522 102.198 -33.2662 128.325 -93.2089 29.7139 -115.387 141.644 -77.3216 PRESSAVG: 73000 16.0926 18.8874 19.4083 18.8873 3.83422 49.2474 19.4084 49.2475 -32.3866 GPRESSAVG: 73000 15.4643 18.6973 18.6558 18.2936 3.43514 50.0735 19.4362 48.4959 -31.3284 TIMING: 73000 CPU: 217.659, 0.00298142/step Wall: 217.659, 0.00298142/step, 4.08041 hours remaining, 201.847656 MB of memory in use. ENERGY: 73000 778.0701 2067.4781 1960.0530 104.1763 -205594.2813 17573.8938 0.0000 0.0000 34238.9451 -148871.6648 299.0172 -183110.6099 -148774.2335 300.1754 -95.8021 -60.0719 558503.1871 -4.1532 -4.1430 PRESSURE: 73200 20.3059 -134.338 -122.745 -134.337 -254.716 8.02588 -122.746 8.02338 124.522 GPRESSURE: 73200 61.6096 -39.1937 -143.19 -186.343 -157.007 -24.395 -155.714 56.2222 97.9332 PRESSAVG: 73200 76.6827 11.6707 -5.36585 11.6707 -1.69074 34.7101 -5.36583 34.7102 -77.4261 GPRESSAVG: 73200 76.852 12.3534 -3.93587 12.3293 -1.18329 31.7259 -6.58069 35.4114 -77.5409 TIMING: 73200 CPU: 218.255, 0.00297979/step Wall: 218.255, 0.00297979/step, 4.07801 hours remaining, 201.847656 MB of memory in use. ENERGY: 73200 727.6366 2119.3277 1944.4807 103.3611 -205730.8699 17640.7657 0.0000 0.0000 34176.8249 -149018.4732 298.4747 -183195.2982 -148927.1750 300.0808 -36.6295 0.8453 558416.3647 -0.8114 -0.6241 PRESSURE: 73400 111.075 71.5174 -25.6791 71.5175 193.116 -24.1074 -25.679 -24.1073 285.34 GPRESSURE: 73400 148.431 135.249 38.8115 25.5498 226.417 -79.3109 -87.9228 50.9579 313.658 PRESSAVG: 73400 3.31946 -15.5213 -33.0502 -15.5213 25.7173 24.9694 -33.0503 24.9696 -10.1905 GPRESSAVG: 73400 3.94291 -14.0321 -33.7329 -17.4467 25.0604 28.0705 -31.4945 26.8295 -10.3517 TIMING: 73400 CPU: 218.856, 0.00300756/step Wall: 218.856, 0.00300756/step, 4.11585 hours remaining, 201.847656 MB of memory in use. ENERGY: 73400 704.1141 2070.5599 1957.8393 109.0031 -206325.8226 17950.5199 0.0000 0.0000 34504.7121 -149029.0743 301.3382 -183533.7864 -148927.1514 300.2484 196.5102 229.5019 556768.1279 6.2821 6.2172 PRESSURE: 73600 115.283 31.9948 10.8423 31.9961 249.209 37.8058 10.8429 37.8075 125.488 GPRESSURE: 73600 129.028 27.2669 31.9068 31.1507 264.172 96.2084 37.4519 -10.4893 198.64 PRESSAVG: 73600 -2.94011 1.32745 -41.7767 1.32746 -10.6427 38.458 -41.7767 38.458 21.4104 GPRESSAVG: 73600 -3.73311 0.244179 -38.7081 3.50823 -10.8566 36.3498 -43.1131 37.3238 22.145 TIMING: 73600 CPU: 219.459, 0.00301339/step Wall: 219.459, 0.00301339/step, 4.12365 hours remaining, 201.847656 MB of memory in use. ENERGY: 73600 734.4744 2034.7579 1925.6178 119.4164 -206079.6325 17877.7338 0.0000 0.0000 34287.3853 -149100.2468 299.4403 -183387.6321 -148999.9633 299.2272 163.3266 197.2802 556448.2313 2.6092 2.5184 PRESSURE: 73800 219.804 -25.6618 -78.2375 -25.6606 -151.185 73.4475 -78.237 73.448 -79.4925 GPRESSURE: 73800 210.002 -10.2778 -12.4866 36.0957 -99.4957 -21.6251 -168.509 63.5875 -32.468 PRESSAVG: 73800 38.8132 20.3099 -56.5388 20.3099 31.6319 16.7125 -56.5388 16.7124 -69.5047 GPRESSAVG: 73800 38.0015 21.4502 -57.5476 18.2008 33.1283 18.3828 -56.0264 14.9934 -70.4591 TIMING: 73800 CPU: 220.058, 0.00299506/step Wall: 220.058, 0.00299506/step, 4.0984 hours remaining, 201.847656 MB of memory in use. ENERGY: 73800 698.1636 2041.8460 1914.8301 113.3689 -206095.9986 17817.4285 0.0000 0.0000 34363.2213 -149147.1403 300.1026 -183510.3617 -149048.7092 299.7385 -3.6244 26.0129 558372.9170 0.3135 0.2236 PRESSURE: 74000 133.051 74.0968 -3.51716 74.0974 -159.149 63.401 -3.51786 63.4004 -11.2113 GPRESSURE: 74000 218.063 26.4556 93.1911 122.559 -101.706 -15.8048 -184.667 6.60803 -45.2902 PRESSAVG: 74000 22.2977 -8.27312 -41.7441 -8.2731 43.9785 -20.1572 -41.744 -20.1573 -9.68674 GPRESSAVG: 74000 23.868 -10.1517 -40.6974 -7.55782 42.0953 -20.8865 -44.466 -19.8534 -8.93945 TIMING: 74000 CPU: 220.656, 0.00298832/step Wall: 220.656, 0.00298832/step, 4.08901 hours remaining, 201.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 74000 724.6008 2000.4010 1949.5112 114.8731 -205994.9276 17631.5485 0.0000 0.0000 34367.0415 -149206.9515 300.1359 -183573.9930 -149115.0555 300.7990 -12.4364 23.6889 557036.5979 18.8631 19.0079 PRESSURE: 74200 -202.696 266.95 75.7522 266.948 -70.4644 3.98192 75.7526 3.98168 -155.597 GPRESSURE: 74200 -211.832 217.132 -5.69863 336.764 -49.1292 -45.9179 69.4203 87.2749 -82.0826 PRESSAVG: 74200 0.944089 -20.8325 -1.56931 -20.8325 -10.7196 62.7066 -1.56926 62.7065 6.84416 GPRESSAVG: 74200 0.562479 -18.9105 -2.73854 -20.7638 -10.7429 64.2282 -0.118749 64.6814 7.05585 TIMING: 74200 CPU: 221.25, 0.00296959/step Wall: 221.25, 0.00296959/step, 4.06322 hours remaining, 201.847656 MB of memory in use. ENERGY: 74200 733.2823 2038.6532 1937.0294 111.2297 -205920.7332 17602.6411 0.0000 0.0000 34406.2311 -149091.6664 300.4782 -183497.8974 -148991.5705 299.6990 -142.9188 -114.3478 557287.3424 -0.9771 -1.0415 PRESSURE: 74400 -287.154 45.5352 -88.2164 45.5356 145.999 40.8625 -88.2177 40.8617 9.11443 GPRESSURE: 74400 -204.359 127.003 -145.008 8.39612 83.8884 0.188115 -48.4089 61.0379 76.4421 PRESSAVG: 74400 21.497 40.265 4.45866 40.265 -32.2437 44.6093 4.45872 44.6094 26.6053 GPRESSAVG: 74400 22.3086 39.1737 3.21165 39.8824 -31.6183 43.263 4.69072 42.8041 25.666 TIMING: 74400 CPU: 221.849, 0.00299682/step Wall: 221.849, 0.00299682/step, 4.10032 hours remaining, 201.847656 MB of memory in use. ENERGY: 74400 718.5114 2066.3448 1942.4303 118.8569 -206128.0350 17542.4978 0.0000 0.0000 34482.1630 -149257.2308 301.1413 -183739.3938 -149162.4580 299.5525 -44.0133 -14.6762 555992.4597 5.2862 5.4521 PRESSURE: 74600 52.2343 -36.2102 -49.5468 -36.2108 -59.7266 7.21963 -49.5464 7.2207 61.085 GPRESSURE: 74600 71.168 -26.7638 -89.7533 61.0586 3.5223 52.2828 32.4813 -18.1212 71.4651 PRESSAVG: 74600 -9.8767 -11.6416 -16.6477 -11.6417 -2.3379 36.1883 -16.6478 36.1883 -25.1886 GPRESSAVG: 74600 -10.4103 -12.7042 -15.0135 -9.90777 -1.20153 36.6441 -14.9235 36.9739 -25.8147 TIMING: 74600 CPU: 222.444, 0.00297604/step Wall: 222.444, 0.00297604/step, 4.07172 hours remaining, 201.847656 MB of memory in use. ENERGY: 74600 722.6971 2068.9144 1954.8629 117.3635 -206333.0028 17949.2532 0.0000 0.0000 34429.6302 -149090.2816 300.6825 -183519.9118 -148995.3240 299.7018 17.8643 48.7184 557472.5488 -12.4677 -12.4755 PRESSURE: 74800 -43.3508 105.34 9.66957 105.341 -256.818 37.16 9.66859 37.1611 -248.995 GPRESSURE: 74800 -92.918 105.828 -36.6676 181.772 -213.476 -16.9607 30.5943 60.8792 -153.075 PRESSAVG: 74800 -29.8382 -16.9428 -34.2955 -16.9428 5.33322 8.99594 -34.2955 8.996 -0.559546 GPRESSAVG: 74800 -29.9451 -15.4974 -34.8995 -19.2982 4.73939 9.50984 -37.0151 7.87895 0.689562 TIMING: 74800 CPU: 223.036, 0.00296159/step Wall: 223.036, 0.00296159/step, 4.05178 hours remaining, 201.847656 MB of memory in use. ENERGY: 74800 734.9000 2082.4584 1931.0650 113.6198 -205914.9073 17515.3659 0.0000 0.0000 34412.4804 -149125.0177 300.5328 -183537.4981 -149024.7557 299.6946 -183.0545 -153.1561 557968.1196 -8.3549 -8.1721 PRESSURE: 75000 90.9836 13.117 -74.2789 13.1174 9.71209 -32.6855 -74.2804 -32.6854 204.816 GPRESSURE: 75000 97.7767 50.0749 -89.217 13.8932 17.9001 7.12373 -49.9611 -6.57054 263.851 PRESSAVG: 75000 -63.589 19.1995 3.96845 19.1995 -20.6031 27.239 3.96855 27.239 65.074 GPRESSAVG: 75000 -64.6009 20.0618 3.35212 18.39 -19.905 27.0872 4.793 28.6004 65.4504 TIMING: 75000 CPU: 223.63, 0.00296708/step Wall: 223.63, 0.00296708/step, 4.05913 hours remaining, 201.847656 MB of memory in use. ENERGY: 75000 723.9713 2065.7534 1908.6396 112.9106 -206100.2027 17790.6100 0.0000 0.0000 34226.6592 -149271.6586 298.9099 -183498.3178 -149173.4605 299.2752 101.8372 126.5092 557692.4817 -6.3727 -6.3519 PRESSURE: 75200 22.1171 12.0622 57.4158 12.0632 14.8797 -16.9221 57.4165 -16.923 99.3771 GPRESSURE: 75200 49.2285 -68.2802 162.703 28.3711 56.537 -32.2301 -3.36749 -41.3549 119.502 PRESSAVG: 75200 -7.50505 -68.6496 -8.69225 -68.6497 -17.2493 17.6272 -8.69226 17.6273 -4.73433 GPRESSAVG: 75200 -5.73413 -70.8101 -7.05311 -65.9168 -17.6033 17.35 -8.02777 19.2305 -5.76986 TIMING: 75200 CPU: 224.228, 0.0029883/step Wall: 224.228, 0.0029883/step, 4.088 hours remaining, 201.847656 MB of memory in use. ENERGY: 75200 700.7212 2094.7960 1951.2744 109.7023 -206458.4045 17925.5580 0.0000 0.0000 34234.8082 -149441.5444 298.9811 -183676.3526 -149336.4713 298.8791 45.4580 75.0891 557606.8237 -9.8296 -9.7024 PRESSURE: 75400 -246.942 -16.7601 -6.75309 -16.7611 54.9069 -24.3398 -6.75251 -24.3399 -64.4721 GPRESSURE: 75400 -143.752 28.3831 -98.7763 -73.1908 75.0404 -64.3828 -15.3318 -156.802 -98.8034 PRESSAVG: 75400 3.07647 0.0336384 28.807 0.0336684 -53.7427 -71.0979 28.807 -71.0979 49.7648 GPRESSAVG: 75400 3.82674 1.67515 27.2877 -0.84733 -53.1213 -70.8091 30.1412 -74.3155 47.9971 TIMING: 75400 CPU: 224.82, 0.00296493/step Wall: 224.82, 0.00296493/step, 4.05586 hours remaining, 201.847656 MB of memory in use. ENERGY: 75400 741.0755 2041.9917 1920.1936 115.4514 -205988.8320 17607.4428 0.0000 0.0000 33943.5414 -149619.1355 296.4374 -183562.6769 -149522.0379 298.5570 -85.5023 -55.8385 557649.8510 -0.3005 -0.4325 PRESSURE: 75600 81.9875 143.925 96.8703 143.926 176.229 12.4231 96.8707 12.4215 56.9506 GPRESSURE: 75600 98.0719 83.6545 79.5474 142.699 205.462 55.6385 89.7907 2.29613 113.228 PRESSAVG: 75600 -29.5935 50.5714 -41.2902 50.5715 13.4243 8.20063 -41.2902 8.20073 -10.7636 GPRESSAVG: 75600 -31.4987 52.494 -43.7923 50.6783 12.895 8.25308 -41.2713 10.3397 -8.41464 TIMING: 75600 CPU: 225.414, 0.00296744/step Wall: 225.414, 0.00296744/step, 4.05912 hours remaining, 201.847656 MB of memory in use. ENERGY: 75600 761.7430 2057.4741 1918.1301 111.1581 -206930.2034 18148.7572 0.0000 0.0000 34223.7116 -149709.2291 298.8842 -183932.9407 -149608.5771 297.9962 105.0555 138.9209 555878.1010 -8.9776 -9.0061 PRESSURE: 75800 -231.005 -11.4043 -143.545 -11.4036 -154.298 -24.1052 -143.546 -24.1054 120.493 GPRESSURE: 75800 -200.856 -94.7144 -143.572 42.8978 -122.418 -98.1315 -175.39 -14.4459 152.069 PRESSAVG: 75800 -96.5761 -35.317 2.31971 -35.317 15.0366 1.53124 2.3198 1.53112 84.338 GPRESSAVG: 75800 -96.1215 -37.2966 4.64361 -34.9349 14.734 1.51097 2.1478 1.30708 84.0362 TIMING: 75800 CPU: 226.007, 0.00296507/step Wall: 226.007, 0.00296507/step, 4.05572 hours remaining, 201.847656 MB of memory in use. ENERGY: 75800 774.5929 2066.2168 1919.0803 102.0758 -206152.8658 17743.8145 0.0000 0.0000 33901.1150 -149645.9705 296.0669 -183547.0854 -149551.8072 298.0007 -88.2701 -57.0683 556881.8671 0.9328 0.8829 PRESSURE: 76000 38.8198 -120.9 -2.10543 -120.899 -318.855 10.3353 -2.10583 10.3353 -145.074 GPRESSURE: 76000 27.0714 -95.6774 -38.2343 -70.709 -243.233 -13.9367 -18.4195 23.4576 -109.789 PRESSAVG: 76000 -44.6307 -25.5584 -16.3968 -25.5584 -24.5674 15.8866 -16.3968 15.8867 57.4341 GPRESSAVG: 76000 -45.2334 -25.8028 -16.229 -25.7772 -23.6453 15.3616 -16.1984 17.3446 56.8093 TIMING: 76000 CPU: 226.599, 0.002962/step Wall: 226.599, 0.002962/step, 4.05135 hours remaining, 201.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 76000 770.4427 2014.5568 1937.4684 117.4587 -206333.5044 17758.4315 0.0000 0.0000 33876.3282 -149858.8180 295.8504 -183735.1462 -149765.7678 297.8217 -141.7031 -108.6501 557697.7625 -3.9213 -4.0231 PRESSURE: 76200 -124.168 -17.1929 -155.512 -17.1942 -222.631 136.949 -155.512 136.95 34.9103 GPRESSURE: 76200 -152.964 -26.0083 -124.533 -54.905 -207.726 122.708 -111.537 111.85 142.75 PRESSAVG: 76200 37.4859 -35.0386 -66.7384 -35.0386 -75.3284 23.4742 -66.7384 23.474 43.0939 GPRESSAVG: 76200 37.715 -34.3105 -66.3534 -34.3145 -74.8418 22.7305 -66.8785 23.1776 42.64 TIMING: 76200 CPU: 227.194, 0.00297086/step Wall: 227.194, 0.00297086/step, 4.06331 hours remaining, 201.847656 MB of memory in use. ENERGY: 76200 760.4931 2093.5911 1901.5570 108.7552 -206110.9062 17659.0106 0.0000 0.0000 33937.8492 -149649.6501 296.3877 -183587.4993 -149563.3814 297.3921 -103.9628 -72.6465 557255.9180 1.7505 1.8378 LDB: ============= START OF LOAD BALANCING ============== 230.741 LDB: ============== END OF LOAD BALANCING =============== 230.741 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 230.743 LDB: ============= START OF LOAD BALANCING ============== 231.041 LDB: Largest compute 4796 load 0.028989 is 24.6% of average load 0.117995 LDB: Average compute 0.001738 is 1.5% of average load 0.117995 LDB: TIME 231.043 LOAD: AVG 0.117995 MAX 0.207494 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 199.98 MB LDB: TIME 231.043 LOAD: AVG 0.117995 MAX 0.207494 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.98 MB LDB: TIME 231.043 LOAD: AVG 0.117995 MAX 0.207494 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.98 MB LDB: ============== END OF LOAD BALANCING =============== 231.045 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 231.049 PRESSURE: 76400 -18.2266 -29.3975 -35.3085 -29.3965 92.7191 50.7462 -35.3081 50.7473 55.8935 GPRESSURE: 76400 0.496024 -40.9754 -90.3592 56.682 109.269 82.8742 -34.7637 41.7144 116.328 PRESSAVG: 76400 73.6259 -41.6027 -48.2902 -41.6027 -57.7042 -28.1104 -48.2902 -28.1104 -29.2725 GPRESSAVG: 76400 73.9937 -42.7698 -49.6397 -42.4812 -59.218 -25.1442 -47.0961 -30.5142 -28.6914 TIMING: 76400 CPU: 227.799, 0.00302888/step Wall: 227.799, 0.00302888/step, 4.1425 hours remaining, 200.792969 MB of memory in use. ENERGY: 76400 729.9196 2029.8483 1971.1597 112.7937 -206511.0857 17971.0653 0.0000 0.0000 34179.2323 -149517.0668 298.4957 -183696.2992 -149420.9467 298.4816 43.4620 75.3646 557805.8188 -4.4503 -4.6386 PRESSURE: 76600 222.819 144.859 113.468 144.861 -85.8996 141.126 113.469 141.126 -123.83 GPRESSURE: 76600 271.116 165.106 65.5453 134.519 -75.5064 88.4706 67.0246 95.9861 -67.0117 PRESSAVG: 76600 37.5746 -2.48422 -88.6972 -2.48423 49.6369 -29.5918 -88.6972 -29.5918 -82.6495 GPRESSAVG: 76600 38.0524 -0.729209 -89.5236 -3.0874 49.3917 -29.1585 -90.0912 -28.9905 -82.2613 TIMING: 76600 CPU: 228.395, 0.00297726/step Wall: 228.395, 0.00297726/step, 4.07174 hours remaining, 200.792969 MB of memory in use. ENERGY: 76600 738.5815 2097.8007 1916.4449 110.0004 -206492.5709 17987.6809 0.0000 0.0000 34158.8618 -149483.2007 298.3178 -183642.0625 -149384.4858 298.3751 4.3630 42.8659 558820.1666 1.5207 1.7276 PRESSURE: 76800 -59.0254 -21.4575 55.6613 -21.4575 171.85 11.1227 55.6606 11.1229 -126.372 GPRESSURE: 76800 -3.88782 -33.4287 66.0319 -21.8056 221.75 28.1811 106.691 -92.3211 -138.111 PRESSAVG: 76800 67.0158 -6.92365 37.7446 -6.92365 2.00974 -17.5104 37.7446 -17.5104 -76.2275 GPRESSAVG: 76800 67.2756 -8.03034 41.0272 -6.46964 2.68582 -19.4797 37.6231 -17.143 -77.1332 TIMING: 76800 CPU: 228.994, 0.00299746/step Wall: 228.994, 0.00299746/step, 4.09919 hours remaining, 200.792969 MB of memory in use. ENERGY: 76800 747.3956 2094.0650 1945.1935 108.6941 -206578.0122 17929.5876 0.0000 0.0000 34248.2372 -149504.8391 299.0984 -183753.0764 -149400.7789 298.9769 -4.5158 26.5837 556748.4897 -2.4006 -2.3906 PRESSURE: 77000 23.4005 -137.441 124.457 -137.442 12.0566 -30.0298 124.457 -30.0322 297.187 GPRESSURE: 77000 70.9813 -90.3466 112.163 -178.026 9.85811 12.2609 223.565 -47.0948 359.173 PRESSAVG: 77000 -24.4913 27.4263 17.5202 27.4263 14.2368 12.1024 17.5202 12.1023 -13.5693 GPRESSAVG: 77000 -24.9231 29.1817 17.4618 27.6885 14.1327 11.1204 17.7676 13.3106 -13.4941 TIMING: 77000 CPU: 229.593, 0.00299537/step Wall: 229.593, 0.00299537/step, 4.09617 hours remaining, 200.792969 MB of memory in use. ENERGY: 77000 742.6266 2038.7182 1951.0371 117.4894 -206546.3753 17990.1338 0.0000 0.0000 34066.0840 -149640.2861 297.5076 -183706.3701 -149545.0440 298.3953 110.8812 146.6707 557852.0559 -7.9413 -8.0949 PRESSURE: 77200 -250.521 112.45 -374.035 112.45 33.2382 -39.4668 -374.035 -39.4662 -45.7694 GPRESSURE: 77200 -172.381 109.706 -355.033 97.3108 21.9574 29.712 -347.521 -74.2028 -14.9896 PRESSAVG: 77200 -11.7712 29.8934 -48.1099 29.8936 -21.2428 -41.8229 -48.1098 -41.8229 28.2974 GPRESSAVG: 77200 -10.4177 28.1605 -49.6652 31.2559 -20.6307 -41.044 -47.6742 -42.0732 26.6193 TIMING: 77200 CPU: 230.191, 0.00299057/step Wall: 230.191, 0.00299057/step, 4.08944 hours remaining, 200.792969 MB of memory in use. ENERGY: 77200 753.5815 2051.1939 1945.1924 103.3165 -206568.9974 17751.1972 0.0000 0.0000 34290.6964 -149673.8195 299.4692 -183964.5159 -149583.1114 298.1451 -87.6841 -55.1379 556864.3254 -1.5722 -1.4764 PRESSURE: 77400 -37.1131 -45.4526 104.818 -45.454 -79.0366 -29.3692 104.817 -29.3691 -119.886 GPRESSURE: 77400 54.9713 44.0629 9.53 -33.5894 -67.1792 32.9185 58.2227 -53.3883 -120.159 PRESSAVG: 77400 21.3849 42.1946 -89.3117 42.1945 -1.18649 -26.8426 -89.3117 -26.8425 -44.9282 GPRESSAVG: 77400 21.0291 43.4893 -89.2947 41.1594 -2.56132 -26.5325 -90.1098 -27.9635 -42.5274 TIMING: 77400 CPU: 230.787, 0.00297569/step Wall: 230.787, 0.00297569/step, 4.06892 hours remaining, 200.792969 MB of memory in use. ENERGY: 77400 751.1109 2061.3982 1913.8018 104.4197 -206136.2218 17701.4800 0.0000 0.0000 34004.8355 -149599.1757 296.9727 -183604.0112 -149502.5853 297.6542 -78.6785 -44.1224 558233.0759 -8.2433 -8.0199 PRESSURE: 77600 -253.516 108.019 -80.4353 108.019 102.953 -176.959 -80.4359 -176.959 -77.3685 GPRESSURE: 77600 -228.053 12.1799 -143.564 246.374 126.226 -200.193 -117.062 -187.73 -30.2227 PRESSAVG: 77600 45.4976 35.5715 -32.6946 35.5715 25.1155 -26.1676 -32.6946 -26.1676 -13.8948 GPRESSAVG: 77600 45.2582 34.1808 -33.145 36.7793 25.8716 -26.0103 -32.4261 -25.2207 -14.3006 TIMING: 77600 CPU: 231.378, 0.00295617/step Wall: 231.378, 0.00295617/step, 4.04207 hours remaining, 200.792969 MB of memory in use. ENERGY: 77600 783.9971 2101.7552 1947.3881 106.4211 -206329.9502 17809.8326 0.0000 0.0000 34228.6687 -149351.8875 298.9275 -183580.5562 -149255.4547 298.9255 -75.9771 -44.0167 558156.0564 18.9061 18.9431 PRESSURE: 77800 29.3627 -0.0662935 -66.129 -0.0645706 -33.0979 99.1366 -66.1289 99.1353 -107.127 GPRESSURE: 77800 79.2478 -90.539 -53.1918 21.5943 -1.81357 111.82 -104.178 83.8336 -100.902 PRESSAVG: 77800 -9.1001 47.0992 -70.0774 47.0992 31.9756 28.501 -70.0775 28.5011 -32.4734 GPRESSAVG: 77800 -9.60026 48.8494 -69.1877 44.9074 31.6406 27.4176 -70.2706 28.9174 -32.2631 TIMING: 77800 CPU: 231.974, 0.00298168/step Wall: 231.974, 0.00298168/step, 4.07678 hours remaining, 200.792969 MB of memory in use. ENERGY: 77800 722.2288 2048.8671 1975.1544 117.1665 -206073.6555 17641.2849 0.0000 0.0000 34054.1927 -149514.7612 297.4037 -183568.9539 -149422.5273 298.3271 -36.9542 -7.8225 556358.7105 -3.1993 -3.4076 PRESSURE: 78000 -350.631 5.41172 -8.96201 5.41216 93.4441 -41.9896 -8.96359 -41.9895 -73.8114 GPRESSURE: 78000 -342.463 32.7464 93.0964 -119.845 129.898 -0.148239 -125.712 34.5545 -15.7863 PRESSAVG: 78000 -12.3365 43.1118 1.34642 43.1118 -30.2697 28.3919 1.3464 28.3918 8.20896 GPRESSAVG: 78000 -12.1651 41.7441 1.48419 43.7377 -29.66 26.9451 0.726969 27.7263 7.78739 TIMING: 78000 CPU: 232.571, 0.00298525/step Wall: 232.571, 0.00298525/step, 4.0815 hours remaining, 200.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 78000 710.6773 2055.2866 1930.7008 117.5679 -206261.6984 17640.1735 0.0000 0.0000 34171.4636 -149635.8286 298.4279 -183807.2922 -149538.1597 298.1497 -110.3326 -76.1172 556421.2245 -11.4658 -11.3459 PRESSURE: 78200 177.358 31.2719 -84.3385 31.2729 -200.656 134.608 -84.3384 134.608 180.676 GPRESSURE: 78200 193.689 23.8607 -37.6961 41.897 -134.965 203.024 -13.3791 14.6442 199.782 PRESSAVG: 78200 -53.583 9.96003 23.7279 9.95998 89.8138 14.4476 23.7279 14.4476 -9.95443 GPRESSAVG: 78200 -52.7251 9.65687 22.7026 12.0316 89.648 16.5869 25.0262 13.1084 -10.6653 TIMING: 78200 CPU: 233.168, 0.00298512/step Wall: 233.168, 0.00298512/step, 4.08116 hours remaining, 200.792969 MB of memory in use. ENERGY: 78200 721.8013 2141.4188 1957.5547 118.2974 -206628.9629 17843.8121 0.0000 0.0000 34237.0192 -149609.0595 299.0004 -183846.0786 -149509.2240 297.6032 52.4595 86.1685 557397.0253 8.7588 8.7525 PRESSURE: 78400 -94.799 3.04487 101.048 3.04486 -34.9051 42.9088 101.048 42.9082 120.61 GPRESSURE: 78400 -26.8296 42.6116 89.47 -15.5365 4.30853 127.216 139.847 -32.378 117.053 PRESSAVG: 78400 24.7331 -9.86047 18.296 -9.86049 -10.4634 -18.6175 18.296 -18.6173 -17.6698 GPRESSAVG: 78400 23.8806 -9.32898 18.3106 -10.608 -10.505 -19.4315 19.2242 -17.8274 -16.8524 TIMING: 78400 CPU: 233.76, 0.00295814/step Wall: 233.76, 0.00295814/step, 4.04411 hours remaining, 200.792969 MB of memory in use. ENERGY: 78400 732.2107 2062.8695 1957.6910 110.9308 -206193.0786 17717.3032 0.0000 0.0000 34240.1083 -149371.9651 299.0274 -183612.0734 -149282.4780 299.2365 -3.0314 31.5106 556520.7774 -1.1333 -1.1589 PRESSURE: 78600 333.442 -54.2596 -36.4575 -54.2589 21.3352 -88.5393 -36.4582 -88.539 201.242 GPRESSURE: 78600 293.542 -64.895 61.9648 -70.5897 91.7867 -69.2889 -131.007 -54.1735 258.468 PRESSAVG: 78600 12.4922 -4.73794 -35.8684 -4.73795 22.7606 -24.351 -35.8685 -24.3509 -48.0707 GPRESSAVG: 78600 11.9501 -4.13907 -34.6417 -4.46502 24.2715 -24.6551 -34.5666 -22.3286 -48.6173 TIMING: 78600 CPU: 234.349, 0.00294763/step Wall: 234.349, 0.00294763/step, 4.02957 hours remaining, 200.792969 MB of memory in use. ENERGY: 78600 753.7659 2085.1505 1898.1623 113.2147 -206468.8131 18075.8324 0.0000 0.0000 34399.8714 -149142.8158 300.4226 -183542.6872 -149039.6871 299.0740 185.3396 214.5990 557419.2652 -4.2726 -4.1319 PRESSURE: 78800 -119.71 56.121 -204.206 56.1207 -38.5725 20.8045 -204.205 20.8047 -71.41 GPRESSURE: 78800 -63.1708 90.1488 -103.265 -44.3506 14.1477 97.0379 -241.696 -77.5177 -78.0649 PRESSAVG: 78800 62.6032 10.0517 15.7088 10.0516 -8.46891 3.08523 15.7088 3.08515 -36.5578 GPRESSAVG: 78800 64.1067 11.7175 16.4479 7.39141 -9.81013 2.45122 13.5409 4.24095 -36.5591 TIMING: 78800 CPU: 234.946, 0.00298144/step Wall: 234.946, 0.00298144/step, 4.07562 hours remaining, 200.792969 MB of memory in use. ENERGY: 78800 737.1276 2072.8151 1921.5011 118.1535 -205855.9033 17622.6606 0.0000 0.0000 34176.0407 -149207.6047 298.4679 -183383.6453 -149107.8072 299.0588 -76.5642 -42.3627 557364.2553 5.8589 5.9125 PRESSURE: 79000 -123.792 -58.5743 -274.035 -58.5738 22.1648 37.9451 -274.035 37.9455 -6.71371 GPRESSURE: 79000 -78.7251 -55.8331 -294.413 -26.294 39.7353 39.4425 -231.599 19.3801 21.2009 PRESSAVG: 79000 15.6304 15.5005 -21.9253 15.5005 51.9731 -22.0197 -21.9254 -22.0197 -66.8215 GPRESSAVG: 79000 15.9192 14.6794 -24.2348 16.9119 51.069 -22.5417 -20.0434 -25.5229 -65.8559 TIMING: 79000 CPU: 235.542, 0.00298048/step Wall: 235.542, 0.00298048/step, 4.07415 hours remaining, 200.792969 MB of memory in use. ENERGY: 79000 759.7341 2101.4747 1950.4313 123.0843 -206095.5772 17838.0199 0.0000 0.0000 34017.9495 -149304.8835 297.0872 -183322.8330 -149213.5799 298.6475 -36.1136 -5.9297 558534.5191 0.2607 0.3774 PRESSURE: 79200 110.598 -74.0666 69.5536 -74.0658 -21.5227 17.3004 69.554 17.3008 -73.1598 GPRESSURE: 79200 167.901 -93.9024 59.8848 -0.178489 27.9653 -21.7686 127.379 33.3744 -88.6249 PRESSAVG: 79200 12.7956 -18.8785 -36.4562 -18.8785 -61.9613 -20.7094 -36.4562 -20.7094 14.7052 GPRESSAVG: 79200 12.5325 -19.5688 -36.9904 -18.3419 -60.6804 -19.7795 -36.8626 -17.8404 14.1759 TIMING: 79200 CPU: 236.134, 0.00296126/step Wall: 236.134, 0.00296126/step, 4.04771 hours remaining, 200.792969 MB of memory in use. ENERGY: 79200 726.9164 2091.5915 1924.1161 108.5628 -206427.7158 17886.2272 0.0000 0.0000 34255.1030 -149435.1987 299.1583 -183690.3017 -149337.8249 297.8316 5.3051 35.7473 557625.2885 -11.4868 -11.3240 PRESSURE: 79400 -39.8173 -165.897 72.3915 -165.897 -91.7295 -178.432 72.3923 -178.431 -78.7564 GPRESSURE: 79400 -7.50398 -247.017 28.9011 -166.28 -66.8465 -199.676 98.8223 -163.801 -36.5402 PRESSAVG: 79400 -34.3134 24.551 39.5832 24.551 23.2878 27.4291 39.5832 27.4291 -17.1425 GPRESSAVG: 79400 -34.0332 24.435 41.052 25.3045 23.3909 28.3233 38.7768 26.5302 -17.3591 TIMING: 79400 CPU: 236.727, 0.00296326/step Wall: 236.727, 0.00296326/step, 4.05028 hours remaining, 200.792969 MB of memory in use. ENERGY: 79400 737.0618 2094.9868 1923.5195 118.3745 -206266.7151 17769.8492 0.0000 0.0000 34230.6285 -149392.2948 298.9446 -183622.9233 -149297.5138 298.6248 -70.1011 -36.9636 558209.7660 -9.3893 -9.3338 PRESSURE: 79600 275.832 -107.375 -58.235 -107.375 287.734 118.386 -58.2357 118.387 205.483 GPRESSURE: 79600 297.96 -160.877 -16.4759 -122.256 310.337 132.462 -17.1497 58.9637 255.967 PRESSAVG: 79600 -31.625 -70.1213 10.5724 -70.1213 19.899 3.5377 10.5724 3.53791 3.66994 GPRESSAVG: 79600 -31.6405 -69.9834 10.7683 -68.8608 19.4607 3.50881 10.2314 5.08252 3.82151 TIMING: 79600 CPU: 237.321, 0.00297/step Wall: 237.321, 0.00297/step, 4.05933 hours remaining, 200.792969 MB of memory in use. ENERGY: 79600 708.3644 2061.3828 1946.5754 104.8358 -206310.6821 17988.8089 0.0000 0.0000 34248.3051 -149252.4098 299.0990 -183500.7150 -149158.3046 299.1379 256.3498 288.0881 556670.6499 -2.6854 -2.7861 PRESSURE: 79800 -172.073 -145.049 -80.5344 -145.049 -113.711 7.11252 -80.5349 7.11269 -202.406 GPRESSURE: 79800 -155.145 -33.8974 -133.563 -165.71 -84.2628 36.1524 -12.8015 58.9758 -145.027 PRESSAVG: 79800 28.1834 -3.32106 -20.7087 -3.32102 -22.1618 8.30076 -20.7088 8.30086 25.4701 GPRESSAVG: 79800 27.4905 -4.56136 -20.7453 -3.68355 -21.1729 7.49273 -19.147 7.87487 25.6761 TIMING: 79800 CPU: 237.91, 0.00294526/step Wall: 237.91, 0.00294526/step, 4.02535 hours remaining, 200.792969 MB of memory in use. ENERGY: 79800 741.3108 2075.3292 1948.4729 108.9301 -206046.4632 17507.8002 0.0000 0.0000 34215.1886 -149449.4313 298.8098 -183664.6199 -149343.8251 298.3538 -162.7298 -128.1447 556905.8668 10.4972 10.6645 PRESSURE: 80000 107.629 197.387 109.872 197.387 -152.716 -38.8994 109.872 -38.8984 -13.1972 GPRESSURE: 80000 157.803 188.03 77.1715 173.071 -139.243 -28.8739 89.6812 -21.3208 14.4391 PRESSAVG: 80000 -2.6542 64.9709 -7.58085 64.9709 -51.668 -27.3937 -7.58089 -27.3935 41.5071 GPRESSAVG: 80000 -1.51831 66.5157 -8.74751 63.4652 -52.8478 -26.6347 -10.9162 -27.8644 41.3902 TIMING: 80000 CPU: 238.502, 0.00296074/step Wall: 238.502, 0.00296074/step, 4.04635 hours remaining, 200.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 80000 766.1695 2024.6948 1945.7611 107.2256 -206441.6893 17935.3265 0.0000 0.0000 34095.3128 -149567.1991 297.7628 -183662.5119 -149481.4039 298.9906 -19.4284 10.9997 555973.7587 -4.2717 -4.3253 PRESSURE: 80200 47.0746 -8.81001 -249.299 -8.81002 171.454 13.6089 -249.299 13.6086 -37.0576 GPRESSURE: 80200 128.455 -6.41547 -186.998 -7.92425 143.884 -29.4346 -235.042 41.4006 12.5653 PRESSAVG: 80200 49.5718 26.7224 -17.7995 26.7224 -16.7495 19.2942 -17.7995 19.2941 5.89044 GPRESSAVG: 80200 49.7422 28.5343 -17.2516 26.3719 -17.762 19.2331 -16.4595 18.8647 7.00534 TIMING: 80200 CPU: 239.096, 0.00296997/step Wall: 239.096, 0.00296997/step, 4.0588 hours remaining, 200.792969 MB of memory in use. ENERGY: 80200 754.6729 2013.5926 1959.2696 122.4715 -206736.2682 18098.4782 0.0000 0.0000 34151.0957 -149636.6877 298.2500 -183787.7834 -149536.3122 298.4196 60.4904 94.9681 554869.1649 12.9043 12.9952 LDB: ============= START OF LOAD BALANCING ============== 242.644 LDB: ============== END OF LOAD BALANCING =============== 242.644 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 242.645 LDB: ============= START OF LOAD BALANCING ============== 242.942 LDB: Largest compute 4795 load 0.027295 is 23.1% of average load 0.117980 LDB: Average compute 0.001733 is 1.5% of average load 0.117980 LDB: TIME 242.944 LOAD: AVG 0.11798 MAX 0.207397 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.879 MB LDB: TIME 242.944 LOAD: AVG 0.11798 MAX 0.207397 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.949 MB LDB: TIME 242.944 LOAD: AVG 0.11798 MAX 0.207397 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 242.946 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 242.95 PRESSURE: 80400 -320.561 -6.81825 -6.78216 -6.81717 -63.1818 9.33876 -6.7823 9.33902 -127.148 GPRESSURE: 80400 -258.992 -39.4101 40.3549 77.2998 -60.6778 -23.0624 -26.6636 42.1947 -95.3564 PRESSAVG: 80400 -24.9696 42.4597 -37.9864 42.4597 -3.85372 0.405211 -37.9863 0.405204 20.5608 GPRESSAVG: 80400 -26.8236 41.9128 -38.4012 42.7627 -3.26796 0.507899 -37.8508 1.18099 21.0444 TIMING: 80400 CPU: 239.7, 0.00302122/step Wall: 239.7, 0.00302122/step, 4.12866 hours remaining, 200.210938 MB of memory in use. ENERGY: 80400 722.3060 2102.9938 1929.4990 103.9195 -206286.6347 17554.9911 0.0000 0.0000 34261.2936 -149611.6317 299.2124 -183872.9253 -149513.4292 298.3615 -170.2971 -138.3420 556578.7076 -2.7542 -3.0157 PRESSURE: 80600 32.0556 101.059 -94.675 101.059 157.196 20.7476 -94.6755 20.7484 28.6427 GPRESSURE: 80600 50.905 43.1901 -29.9214 109.599 181.6 12.5848 -162.917 20.9018 85.0652 PRESSAVG: 80600 -8.43492 -21.7226 -1.64436 -21.7226 -23.4952 -22.4554 -1.64435 -22.4554 4.51601 GPRESSAVG: 80600 -6.65364 -22.3193 -0.424508 -23.4648 -23.1196 -22.3917 -2.58531 -23.8887 2.66994 TIMING: 80600 CPU: 240.299, 0.00299364/step Wall: 240.299, 0.00299364/step, 4.09081 hours remaining, 200.414062 MB of memory in use. ENERGY: 80600 766.8374 2115.1474 1937.4850 117.8780 -206877.5599 18135.3220 0.0000 0.0000 34296.4522 -149508.4379 299.5194 -183804.8901 -149414.9576 298.5959 72.6315 105.8566 555823.0149 -9.1380 -9.0344 PRESSURE: 80800 106.884 38.9209 6.45509 38.9229 23.2429 -43.207 6.45422 -43.2075 29.7242 GPRESSURE: 80800 156.22 95.4091 84.7622 46.0095 17.9478 -55.9048 -10.4234 -49.1146 76.5872 PRESSAVG: 80800 -75.1848 27.8766 -10.774 27.8766 100.128 -22.03 -10.7739 -22.0302 -28.7157 GPRESSAVG: 80800 -75.9824 26.0069 -10.0884 31.0424 100.053 -23.6039 -10.1898 -20.3732 -27.7074 TIMING: 80800 CPU: 240.897, 0.00299287/step Wall: 240.897, 0.00299287/step, 4.0896 hours remaining, 200.414062 MB of memory in use. ENERGY: 80800 746.6667 2093.2904 1940.1784 116.8741 -206827.9926 17981.4910 0.0000 0.0000 34302.8799 -149646.6121 299.5756 -183949.4920 -149548.7336 298.6433 53.2836 83.5850 555584.1568 -1.2575 -1.2122 PRESSURE: 81000 84.3573 -34.3743 -14.2076 -34.3746 145.73 -107.597 -14.2085 -107.599 189.223 GPRESSURE: 81000 167.319 -67.6207 -42.7501 -23.1102 167.896 -115.209 -8.32035 -90.2996 191.782 PRESSAVG: 81000 -16.413 30.9706 0.373044 30.9706 23.5058 3.69695 0.373078 3.6969 -2.73951 GPRESSAVG: 81000 -15.8119 32.5421 -2.33331 29.4572 22.5247 5.19214 1.59128 3.60343 -2.13032 TIMING: 81000 CPU: 241.496, 0.00299522/step Wall: 241.496, 0.00299522/step, 4.09264 hours remaining, 200.414062 MB of memory in use. ENERGY: 81000 726.9658 2046.7720 1930.2360 108.2952 -206905.9596 17995.2425 0.0000 0.0000 34273.2723 -149825.1757 299.3170 -184098.4480 -149726.8226 297.9172 139.7701 175.6657 556264.5319 1.4511 1.5275 PRESSURE: 81200 -224.431 -47.4238 87.6522 -47.4243 -276.553 -94.5477 87.6529 -94.5483 -22.6902 GPRESSURE: 81200 -222.664 -30.6652 96.7489 -64.3885 -261.527 -93.8458 171.63 -149.085 48.4016 PRESSAVG: 81200 -18.5797 44.6354 -8.56487 44.6353 28.758 -14.429 -8.56487 -14.429 -21.1313 GPRESSAVG: 81200 -18.3854 44.8324 -8.76264 43.776 30.054 -14.2611 -10.7849 -15.2495 -22.4004 TIMING: 81200 CPU: 242.089, 0.00296297/step Wall: 242.089, 0.00296297/step, 4.0484 hours remaining, 200.414062 MB of memory in use. ENERGY: 81200 789.0599 2019.5922 1927.9276 122.2509 -206088.7592 17694.1143 0.0000 0.0000 33757.3990 -149778.4153 294.8118 -183535.8143 -149680.4657 297.4141 -174.5580 -145.2633 558545.7136 -3.6510 -3.5773 PRESSURE: 81400 34.3278 -108.743 21.1778 -108.744 -30.6016 -20.3313 21.1775 -20.3318 8.90876 GPRESSURE: 81400 70.1304 -110.203 24.9538 -31.1026 -5.90045 -74.1861 -42.4907 -79.0174 46.0776 PRESSAVG: 81400 2.90647 -2.94669 7.33944 -2.94666 -21.9723 -16.9035 7.33945 -16.9034 -31.5059 GPRESSAVG: 81400 2.90981 -1.89981 8.13019 -2.26285 -22.1053 -16.3194 9.54016 -16.179 -30.438 TIMING: 81400 CPU: 242.682, 0.00296534/step Wall: 242.682, 0.00296534/step, 4.05147 hours remaining, 200.414062 MB of memory in use. ENERGY: 81400 774.6977 2100.1910 1948.5472 108.9765 -206522.3461 17920.6447 0.0000 0.0000 34068.4474 -149600.8416 297.5282 -183669.2890 -149508.1730 297.9226 4.2117 36.7692 557901.2200 -16.8572 -16.5445 PRESSURE: 81600 159.829 15.727 17.331 15.7279 -188.598 6.4149 17.3305 6.41504 32.9297 GPRESSURE: 81600 122.764 58.7706 -78.0382 9.01266 -86.1537 -8.21866 9.57086 68.8092 67.8125 PRESSAVG: 81600 -10.1959 -54.0722 19.3302 -54.0722 -39.5406 14.444 19.3301 14.444 86.6988 GPRESSAVG: 81600 -10.7964 -56.3994 18.7967 -53.7624 -39.2038 12.5855 17.2661 14.0427 87.065 TIMING: 81600 CPU: 243.278, 0.00297869/step Wall: 243.278, 0.00297869/step, 4.06955 hours remaining, 200.414062 MB of memory in use. ENERGY: 81600 734.1943 2072.0655 1929.1151 112.7858 -206760.3135 17981.6847 0.0000 0.0000 34361.5249 -149568.9432 300.0877 -183930.4681 -149465.5596 298.7402 1.3868 34.8076 557364.7605 12.3207 12.3550 PRESSURE: 81800 15.2855 -151.791 -151.53 -151.792 32.8032 28.9443 -151.531 28.9447 -84.2774 GPRESSURE: 81800 23.6166 -125.513 -185.85 -82.8858 71.1602 77.6681 -67.7394 -21.8721 -27.5242 PRESSAVG: 81800 1.82586 10.8315 -18.7629 10.8315 -2.87281 -23.8809 -18.7629 -23.8809 50.7598 GPRESSAVG: 81800 1.86774 12.4304 -17.7972 9.52027 -2.55559 -21.1979 -16.9039 -24.6007 50.2785 TIMING: 81800 CPU: 243.878, 0.00299872/step Wall: 243.878, 0.00299872/step, 4.09675 hours remaining, 200.414062 MB of memory in use. ENERGY: 81800 733.6443 2100.0018 1931.3231 99.8722 -206317.1509 17809.0027 0.0000 0.0000 34223.4438 -149419.8630 298.8818 -183643.3068 -149317.9771 298.6147 -12.0629 22.4175 557910.4407 16.5710 16.5302 PRESSURE: 82000 -387.444 -63.4713 -22.4175 -63.4715 -125.619 -61.8405 -22.4173 -61.8394 -325.744 GPRESSURE: 82000 -402.354 -54.0806 18.7928 -64.4418 -78.8143 -22.4008 -43.2727 -99.8441 -252.759 PRESSAVG: 82000 31.8541 3.04034 14.9761 3.04035 -25.7131 -17.0031 14.9761 -17.0032 4.22271 GPRESSAVG: 82000 31.5005 3.8285 14.3958 3.45696 -27.3028 -16.0752 14.6592 -16.4582 6.06712 TIMING: 82000 CPU: 244.473, 0.00297855/step Wall: 244.473, 0.00297855/step, 4.06903 hours remaining, 200.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 82000 768.2089 2095.6368 1970.5731 119.6290 -206188.3793 17567.9958 0.0000 0.0000 34332.4618 -149333.8738 299.8339 -183666.3356 -149233.9366 298.3571 -279.6025 -244.6425 559022.4857 3.4546 3.4216 PRESSURE: 82200 133.871 -35.9027 36.536 -35.9033 112.062 -24.5573 36.537 -24.5579 58.747 GPRESSURE: 82200 146.265 -88.2644 35.5939 39.5568 127.43 -66.5872 22.7566 -4.62173 124.07 PRESSAVG: 82200 -3.5492 -33.2649 25.6433 -33.265 -1.98559 4.51435 25.6434 4.51434 11.8776 GPRESSAVG: 82200 -3.01533 -33.9193 26.7255 -32.6372 -0.557099 1.48213 24.6293 5.0592 10.247 TIMING: 82200 CPU: 245.071, 0.00299077/step Wall: 245.071, 0.00299077/step, 4.08555 hours remaining, 200.414062 MB of memory in use. ENERGY: 82200 786.2385 2111.4328 1970.5105 101.0661 -206575.3230 17959.4372 0.0000 0.0000 34283.3534 -149363.2844 299.4051 -183646.6378 -149265.0908 299.5863 101.5599 132.5884 556809.7103 2.1143 2.2249 PRESSURE: 82400 -57.2938 -71.9347 -17.1212 -71.9348 113.616 -60.2462 -17.1206 -60.2471 -97.443 GPRESSURE: 82400 -48.8337 -63.6277 45.8596 -33.4014 140.822 -59.2324 -45.2249 -55.4898 -32.46 PRESSAVG: 82400 -43.1325 -38.1365 2.46858 -38.1365 76.2047 -86.8889 2.46868 -86.8889 41.6415 GPRESSAVG: 82400 -43.9573 -38.5597 1.75785 -38.0933 75.2662 -86.0925 3.46932 -87.0789 42.9945 TIMING: 82400 CPU: 245.67, 0.00299465/step Wall: 245.67, 0.00299465/step, 4.09069 hours remaining, 200.414062 MB of memory in use. ENERGY: 82400 729.2461 2087.1064 1930.8671 105.9794 -206276.4050 17836.7550 0.0000 0.0000 34265.6734 -149320.7777 299.2506 -183586.4511 -149226.3193 298.8993 -13.7069 19.8428 556995.1212 24.9046 24.7678 PRESSURE: 82600 108.142 85.4222 102.867 85.4231 131.405 -52.9631 102.865 -52.963 -46.1962 GPRESSURE: 82600 178.649 -30.7212 60.997 142.23 100.999 -78.0579 88.154 -165.738 13.5345 PRESSAVG: 82600 69.3502 -9.99741 -28.3418 -9.9974 16.5076 -31.3961 -28.3419 -31.396 -37.8346 GPRESSAVG: 82600 70.1635 -9.99274 -29.7381 -10.4188 16.8473 -30.3296 -27.7589 -32.2156 -39.0126 TIMING: 82600 CPU: 246.269, 0.00299515/step Wall: 246.269, 0.00299515/step, 4.09121 hours remaining, 200.414062 MB of memory in use. ENERGY: 82600 753.6325 2058.4144 1945.7356 119.1639 -206399.0900 17884.1719 0.0000 0.0000 34215.2945 -149422.6772 298.8107 -183637.9717 -149322.3236 299.0728 64.4503 97.7272 556872.8724 16.0077 15.9994 PRESSURE: 82800 -136.919 111.486 77.8133 111.487 116.772 -52.9661 77.814 -52.9667 93.9074 GPRESSURE: 82800 -86.5912 97.8697 152.158 95.5705 100.581 -8.00433 80.1843 -73.6934 158.212 PRESSAVG: 82800 26.9903 -13.3277 11.6834 -13.3277 -26.4386 27.351 11.6835 27.3511 -12.7338 GPRESSAVG: 82800 28.8866 -15.0378 13.7018 -12.7776 -27.6592 27.3747 9.09529 28.7548 -13.3018 TIMING: 82800 CPU: 246.865, 0.00297725/step Wall: 246.865, 0.00297725/step, 4.0666 hours remaining, 200.414062 MB of memory in use. ENERGY: 82800 731.7136 2048.5192 1900.7475 108.0921 -206458.7358 17977.4639 0.0000 0.0000 34310.5358 -149381.6639 299.6424 -183692.1996 -149291.5917 298.4861 24.5865 57.4005 558101.0164 -4.0607 -4.0248 PRESSURE: 83000 -168.876 103.958 -0.190393 103.958 -467.237 105.176 -0.1893 105.175 -234.294 GPRESSURE: 83000 -150.83 63.2311 13.4968 86.3684 -436.021 93.7782 -57.3684 109.933 -182.342 PRESSAVG: 83000 58.2557 -5.07819 60.8282 -5.07815 -56.7667 71.2133 60.8282 71.2132 -33.4848 GPRESSAVG: 83000 57.0175 -2.40721 60.136 -7.07296 -55.6181 71.3773 61.9694 70.6065 -32.9912 TIMING: 83000 CPU: 247.459, 0.00297289/step Wall: 247.459, 0.00297289/step, 4.06048 hours remaining, 200.414062 MB of memory in use. ENERGY: 83000 739.5056 2021.6097 1945.1118 112.9192 -205777.5982 17409.8773 0.0000 0.0000 34217.0224 -149331.5521 298.8258 -183548.5745 -149233.6061 298.5860 -290.1357 -256.3973 559322.6697 -10.6653 -10.5306 PRESSURE: 83200 -8.75964 -114.306 66.3449 -114.307 2.21069 160.967 66.3448 160.968 70.8557 GPRESSURE: 83200 33.5034 -63.9104 66.0596 -174.651 54.6373 111.796 25.2916 143.223 81.5772 PRESSAVG: 83200 47.2571 -13.9702 0.871318 -13.9702 -26.8782 38.6839 0.871365 38.6838 27.19 GPRESSAVG: 83200 47.3216 -16.2682 0.400655 -11.9454 -26.5698 38.7923 0.547526 36.8915 26.849 TIMING: 83200 CPU: 248.056, 0.00298151/step Wall: 248.056, 0.00298151/step, 4.07208 hours remaining, 200.414062 MB of memory in use. ENERGY: 83200 707.4365 2016.5326 1938.9938 116.5845 -206580.5709 18072.6911 0.0000 0.0000 34210.7973 -149517.5350 298.7714 -183728.3323 -149419.0728 298.5205 21.4356 56.5727 558775.6182 15.8563 15.8670 PRESSURE: 83400 111.803 4.90179 177.158 4.90303 139.293 -63.0986 177.158 -63.0972 4.86327 GPRESSURE: 83400 157.96 43.2536 262.122 -56.385 145.185 19.144 125.909 -106.651 38.1457 PRESSAVG: 83400 16.807 -25.1616 68.8512 -25.1616 28.9604 -17.3261 68.8512 -17.326 -26.5353 GPRESSAVG: 83400 16.0301 -24.1676 69.1304 -25.9217 28.5437 -17.647 68.3105 -15.1021 -25.6801 TIMING: 83400 CPU: 248.65, 0.00296871/step Wall: 248.65, 0.00296871/step, 4.05443 hours remaining, 200.414062 MB of memory in use. ENERGY: 83400 703.3320 2093.2982 1940.0374 113.5251 -206258.2355 17857.9777 0.0000 0.0000 34155.0717 -149394.9934 298.2847 -183550.0652 -149299.8649 298.4883 85.3197 113.7635 557447.3186 6.4107 6.2979 PRESSURE: 83600 3.5614 35.1875 -25.0743 35.1869 187.158 105.714 -25.0742 105.717 285.057 GPRESSURE: 83600 78.7837 5.34956 86.8763 70.1549 129.101 169.096 -93.1933 35.6072 363.412 PRESSAVG: 83600 -36.4093 21.4097 -17.422 21.4097 36.8897 41.0443 -17.422 41.0444 -23.4933 GPRESSAVG: 83600 -34.8478 20.4484 -18.1907 22.8075 36.3678 39.8181 -17.705 42.0492 -23.8276 TIMING: 83600 CPU: 249.247, 0.00298965/step Wall: 249.247, 0.00298965/step, 4.08287 hours remaining, 200.414062 MB of memory in use. ENERGY: 83600 738.1799 2109.7496 1941.1072 108.2850 -206259.4107 18042.4691 0.0000 0.0000 34102.2038 -149217.4160 297.8230 -183319.6198 -149126.5763 298.4976 158.5921 190.4324 556775.3360 -7.6710 -7.4359 PRESSURE: 83800 -88.9826 -44.5159 180.172 -44.5166 40.1511 -111.198 180.173 -111.196 -202.649 GPRESSURE: 83800 -75.1372 -57.1536 152.293 -16.9771 24.6191 -155.117 124.246 18.4976 -100.438 PRESSAVG: 83800 -15.5804 73.5675 0.68847 73.5675 1.99989 -32.1058 0.688456 -32.1058 32.6696 GPRESSAVG: 83800 -15.6242 74.4146 1.40458 71.6695 3.28633 -32.3341 2.44162 -34.1504 31.7562 TIMING: 83800 CPU: 249.842, 0.00297157/step Wall: 249.842, 0.00297157/step, 4.05801 hours remaining, 200.414062 MB of memory in use. ENERGY: 83800 708.7921 2095.6229 1934.4844 125.2698 -206195.2692 17641.5573 0.0000 0.0000 34408.5056 -149281.0371 300.4980 -183689.5426 -149179.7079 299.3343 -83.8267 -50.3188 557203.1993 6.3631 6.4728 PRESSURE: 84000 -46.2909 -57.0863 1.01031 -57.0881 39.7447 31.8695 1.00999 31.8698 144.22 GPRESSURE: 84000 -0.893674 -23.3398 -77.6848 -49.0241 55.6909 3.49602 49.5175 34.9418 184.965 PRESSAVG: 84000 -10.4393 7.4402 -35.2653 7.4401 -11.5892 3.66123 -35.2654 3.6613 51.0855 GPRESSAVG: 84000 -9.74714 7.74512 -34.7048 8.66461 -13.3904 3.8073 -36.7219 4.73473 52.5752 TIMING: 84000 CPU: 250.438, 0.00298021/step Wall: 250.438, 0.00298021/step, 4.06964 hours remaining, 200.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 84000 763.0526 2074.0788 1920.8782 103.6982 -206315.1382 17857.4071 0.0000 0.0000 34199.8072 -149396.2160 298.6754 -183596.0232 -149301.8291 299.4908 45.8914 79.9209 555755.1925 9.6857 9.8126 PRESSURE: 84200 -24.7466 108.03 -143.288 108.029 -123.4 10.6727 -143.29 10.6722 -83.1488 GPRESSURE: 84200 -0.870076 79.1576 -148.221 142.04 -66.8679 -66.5171 -166.644 14.9471 -59.424 PRESSAVG: 84200 -46.0811 4.66744 -42.5475 4.6675 15.263 29.6592 -42.5475 29.6593 7.4353 GPRESSAVG: 84200 -47.8942 3.94477 -40.9799 4.5233 15.9993 30.4342 -42.0932 29.4564 8.78352 TIMING: 84200 CPU: 251.032, 0.0029686/step Wall: 251.032, 0.0029686/step, 4.05362 hours remaining, 200.414062 MB of memory in use. ENERGY: 84200 752.0946 2089.9274 1958.8158 111.2162 -205908.6677 17513.7264 0.0000 0.0000 34130.8976 -149351.9897 298.0736 -183482.8873 -149258.9367 298.6178 -77.0985 -42.3873 555776.3314 -7.7943 -7.7038 LDB: ============= START OF LOAD BALANCING ============== 254.579 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 254.579 LDB: =============== DONE WITH MIGRATION ================ 254.581 LDB: ============= START OF LOAD BALANCING ============== 254.877 LDB: Largest compute 4796 load 0.027430 is 23.3% of average load 0.117934 LDB: Average compute 0.001726 is 1.5% of average load 0.117934 LDB: TIME 254.879 LOAD: AVG 0.117934 MAX 0.206018 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 200.211 MB LDB: TIME 254.879 LOAD: AVG 0.117934 MAX 0.206018 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.211 MB LDB: TIME 254.88 LOAD: AVG 0.117934 MAX 0.206018 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.211 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 254.881 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 254.886 PRESSURE: 84400 -74.152 -47.5187 -260.462 -47.5181 -270.592 -18.6213 -260.461 -18.6214 75.6406 GPRESSURE: 84400 -89.7356 -91.5953 -236.623 -85.1287 -220.717 -69.0479 -226.007 103.682 125.174 PRESSAVG: 84400 -41.0793 22.9732 14.0384 22.9732 17.4982 44.7862 14.0385 44.7862 -20.3432 GPRESSAVG: 84400 -40.1514 23.7317 11.1917 24.3165 17.8839 46.4772 13.7309 43.7804 -21.3807 TIMING: 84400 CPU: 251.636, 0.00302052/step Wall: 251.636, 0.00302052/step, 4.12435 hours remaining, 200.210938 MB of memory in use. ENERGY: 84400 762.4473 2084.0325 1945.3733 117.1112 -206112.3821 17668.7451 0.0000 0.0000 34316.5431 -149218.1296 299.6949 -183534.6727 -149124.5744 298.9833 -89.7012 -61.7598 557181.0967 -14.6414 -14.5494 PRESSURE: 84600 56.17 -12.0613 73.0505 -12.0602 87.5296 119.262 73.0511 119.261 138.535 GPRESSURE: 84600 146.457 11.6344 142.472 -67.5967 156.332 74.6897 131.498 140.242 91.8048 PRESSAVG: 84600 -52.4596 6.42472 22.1234 6.42479 35.3124 1.09412 22.1235 1.0941 48.8187 GPRESSAVG: 84600 -52.6522 5.00438 22.8829 5.15623 35.9921 -0.0692551 22.6732 2.83082 48.236 TIMING: 84600 CPU: 252.227, 0.00295907/step Wall: 252.227, 0.00295907/step, 4.04028 hours remaining, 200.210938 MB of memory in use. ENERGY: 84600 745.0103 2090.1594 1919.1029 111.7399 -206264.1665 17964.7650 0.0000 0.0000 34273.3554 -149160.0335 299.3177 -183433.3889 -149068.2043 299.3528 94.0783 131.5315 557123.8089 10.5572 10.5253 PRESSURE: 84800 -119.767 -39.9895 6.32853 -39.9876 -154.529 -18.8464 6.32926 -18.8475 -129.816 GPRESSURE: 84800 -66.3575 -138.309 -38.1111 -46.121 -170.473 -22.7275 70.0564 -2.12983 -70.1289 PRESSAVG: 84800 18.0095 -11.7704 38.7221 -11.7705 -24.9385 5.16495 38.722 5.16503 26.5227 GPRESSAVG: 84800 17.5921 -14.861 37.8385 -10.6425 -24.4592 4.08091 39.7879 4.66481 26.4352 TIMING: 84800 CPU: 252.817, 0.00294758/step Wall: 252.817, 0.00294758/step, 4.02444 hours remaining, 200.210938 MB of memory in use. ENERGY: 84800 753.9377 2058.9532 1966.8951 119.5785 -206001.9687 17718.7825 0.0000 0.0000 34159.1682 -149224.6536 298.3205 -183383.8218 -149125.5391 299.9052 -134.7041 -102.3198 557823.3346 6.5312 6.5227 PRESSURE: 85000 -36.4282 166.771 1.31039 166.77 -214.33 82.2712 1.31107 82.2713 -104.691 GPRESSURE: 85000 16.8104 200.344 6.66648 83.4361 -165.308 63.9457 24.2532 142.026 -120.739 PRESSAVG: 85000 11.1707 -5.55202 41.8073 -5.55216 -11.8707 8.38289 41.8072 8.38289 0.73987 GPRESSAVG: 85000 12.368 -2.01191 42.271 -7.99973 -14.0823 10.3769 42.301 6.24502 1.13301 TIMING: 85000 CPU: 253.409, 0.00295805/step Wall: 253.409, 0.00295805/step, 4.03856 hours remaining, 200.210938 MB of memory in use. ENERGY: 85000 768.4290 2101.0239 1934.5323 109.4933 -205844.9265 17607.8629 0.0000 0.0000 33960.2820 -149363.3032 296.5836 -183323.5852 -149261.3852 297.9700 -118.4829 -89.7453 556706.7273 0.0133 -0.1938 PRESSURE: 85200 -25.3903 110.829 222.254 110.83 68.2447 -29.7711 222.254 -29.772 -136.876 GPRESSURE: 85200 3.93551 108.053 134.312 112.873 68.8155 -66.9596 263.475 5.72469 -66.1883 PRESSAVG: 85200 29.4168 7.46801 24.2717 7.468 30.6446 64.2209 24.2716 64.2209 -23.9392 GPRESSAVG: 85200 28.4493 7.73543 24.1156 7.37666 31.17 62.9134 23.79 64.3223 -23.3492 TIMING: 85200 CPU: 254.001, 0.00296354/step Wall: 254.001, 0.00296354/step, 4.04589 hours remaining, 200.210938 MB of memory in use. ENERGY: 85200 705.0084 2063.1634 1970.8160 116.3939 -205688.2747 17659.4252 0.0000 0.0000 33918.6877 -149254.7801 296.2203 -183173.4679 -149159.3569 298.6775 -31.3404 2.1876 557225.4357 12.0407 12.0900 PRESSURE: 85400 -177.677 -8.51461 -104.114 -8.5141 139.896 -14.4867 -104.114 -14.4877 59.1396 GPRESSURE: 85400 -70.68 -15.2736 -50.6882 9.28014 140.754 64.5577 -65.5183 -70.8379 52.2007 PRESSAVG: 85400 -29.9507 1.27658 -6.92813 1.27656 23.8223 17.8701 -6.92819 17.8701 -16.2694 GPRESSAVG: 85400 -28.5979 -0.0772028 -6.84757 3.681 23.8767 17.4201 -6.93419 19.015 -17.2434 TIMING: 85400 CPU: 254.591, 0.00294895/step Wall: 254.591, 0.00294895/step, 4.02581 hours remaining, 200.210938 MB of memory in use. ENERGY: 85400 717.1861 2009.0913 1951.8809 103.7953 -206274.2120 17830.0470 0.0000 0.0000 34348.6575 -149313.5540 299.9754 -183662.2115 -149208.2626 298.6876 7.1196 40.7582 556606.2641 -7.4659 -7.3216 PRESSURE: 85600 130.062 -35.8022 -61.817 -35.8026 -40.039 92.5005 -61.8166 92.4992 47.2596 GPRESSURE: 85600 135.48 -31.2012 -96.6996 -32.9465 -1.22746 161.307 -89.9971 46.7817 102.554 PRESSAVG: 85600 -4.41896 -14.8222 22.1376 -14.8222 25.5358 28.4055 22.1376 28.4054 -33.9591 GPRESSAVG: 85600 -4.95344 -13.8164 22.8374 -15.7975 25.8692 28.6688 21.7417 27.7687 -33.6423 TIMING: 85600 CPU: 255.186, 0.002977/step Wall: 255.186, 0.002977/step, 4.06393 hours remaining, 200.210938 MB of memory in use. ENERGY: 85600 759.0522 2041.1294 1937.8401 121.3007 -206274.1455 18004.1840 0.0000 0.0000 34214.5413 -149196.0978 298.8041 -183410.6390 -149094.2164 299.4310 45.7607 78.9356 559022.8829 -4.2807 -4.2422 PRESSURE: 85800 24.0993 73.4044 15.97 73.4039 24.3315 99.0467 15.9689 99.0475 15.3175 GPRESSURE: 85800 17.5406 36.1423 -23.2314 28.0213 105.81 -33.0209 81.3143 77.5823 35.8748 PRESSAVG: 85800 59.5462 1.19912 37.6863 1.19913 -39.6183 -2.92303 37.6864 -2.92293 -18.1418 GPRESSAVG: 85800 58.6163 0.234081 36.1628 1.93275 -39.4068 -2.65574 36.2254 -3.6688 -17.6395 TIMING: 85800 CPU: 255.778, 0.00295745/step Wall: 255.778, 0.00295745/step, 4.03709 hours remaining, 200.210938 MB of memory in use. ENERGY: 85800 738.6146 2062.9911 1967.8141 105.8989 -205900.5125 17688.8324 0.0000 0.0000 34272.5538 -149063.8077 299.3107 -183336.3615 -148966.1867 299.1066 21.2494 53.0752 557274.4452 0.5954 0.5233 PRESSURE: 86000 155.636 -72.131 86.5985 -72.1305 37.0275 -117.176 86.5996 -117.177 -21.7299 GPRESSURE: 86000 145.738 -71.1541 102.409 -23.5035 72.1872 -80.9487 108.249 -169.221 38.3937 PRESSAVG: 86000 19.5334 -23.1153 99.3598 -23.1152 -21.8228 -22.4389 99.3597 -22.439 -9.97113 GPRESSAVG: 86000 21.5345 -20.9051 101.853 -25.0164 -23.0805 -21.2755 99.7696 -22.4647 -11.1264 TIMING: 86000 CPU: 256.372, 0.00297202/step Wall: 256.372, 0.00297202/step, 4.05681 hours remaining, 200.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 86000 753.7103 2087.2722 1960.1419 118.0229 -206248.8248 17848.9648 0.0000 0.0000 34403.9404 -149076.7723 300.4582 -183480.7127 -148982.4346 299.6146 56.9778 85.4395 557718.1011 -4.0868 -4.2241 PRESSURE: 86200 -304.07 26.8473 4.88411 26.8472 -240.042 -62.2706 4.88312 -62.2699 -95.0637 GPRESSURE: 86200 -290.337 89.8846 71.942 39.7157 -194.347 -66.2084 -61.8362 -48.3452 -48.7179 PRESSAVG: 86200 -30.6437 9.92301 -27.338 9.92297 36.5778 43.4918 -27.3378 43.4919 0.98108 GPRESSAVG: 86200 -31.7584 7.40152 -27.8197 9.67674 36.9253 44.1195 -27.4397 43.2074 1.87389 TIMING: 86200 CPU: 256.965, 0.00296543/step Wall: 256.965, 0.00296543/step, 4.04765 hours remaining, 200.210938 MB of memory in use. ENERGY: 86200 736.9710 2088.4949 1969.3571 111.2626 -206004.4696 17565.2021 0.0000 0.0000 34428.3970 -149104.7850 300.6718 -183533.1819 -149003.2241 300.6670 -213.0586 -177.8007 558181.5348 2.3050 2.3469 PRESSURE: 86400 194.851 109.411 -69.1028 109.411 54.5284 32.1402 -69.1025 32.1414 -79.641 GPRESSURE: 86400 189.877 120.423 2.27013 110.108 102.696 -25.6415 -140.363 58.6514 -30.5453 PRESSAVG: 86400 -5.6473 4.95188 -32.6698 4.95185 36.1687 -48.2865 -32.6698 -48.2865 -53.9801 GPRESSAVG: 86400 -6.11176 4.58116 -31.3512 9.32254 36.5638 -49.6412 -33.4311 -46.8926 -54.3383 TIMING: 86400 CPU: 257.556, 0.00295344/step Wall: 257.556, 0.00295344/step, 4.03112 hours remaining, 200.210938 MB of memory in use. ENERGY: 86400 708.2276 2103.6400 1943.9184 128.3617 -206044.7361 17741.9050 0.0000 0.0000 34288.4138 -149130.2697 299.4492 -183418.6835 -149027.6615 299.1500 56.5793 87.3425 556898.3877 -7.8196 -7.9621 PRESSURE: 86600 -96.233 -143.028 -72.9324 -143.027 -159.106 -53.2275 -72.9329 -53.2278 -243.523 GPRESSURE: 86600 -35.8455 -155.72 -52.6017 -158.402 -149.814 17.7049 -52.9449 -48.6662 -211.915 PRESSAVG: 86600 27.2858 5.49054 -35.5645 5.49042 8.70487 -71.0515 -35.5645 -71.0515 -16.5731 GPRESSAVG: 86600 28.2592 7.43255 -38.0763 2.19779 8.90167 -71.4181 -36.36 -71.0952 -17.8838 TIMING: 86600 CPU: 258.146, 0.00295109/step Wall: 258.146, 0.00295109/step, 4.02775 hours remaining, 200.210938 MB of memory in use. ENERGY: 86600 745.2517 2043.9950 1953.6160 111.8359 -206206.2463 17790.3399 0.0000 0.0000 34143.1136 -149418.0941 298.1803 -183561.2077 -149318.3597 299.1601 -166.2874 -132.5251 557186.2150 6.4725 6.4257 PRESSURE: 86800 -141.679 -65.4757 -23.7693 -65.4752 3.84774 119.026 -23.7709 119.026 -34.417 GPRESSURE: 86800 -118.726 -33.5784 -39.3863 -63.7174 29.9872 184.74 -52.8406 86.6332 16.7405 PRESSAVG: 86800 16.3467 19.28 -44.8181 19.28 2.78235 -26.5779 -44.8181 -26.5778 -27.0485 GPRESSAVG: 86800 14.784 18.7854 -43.0761 18.6021 2.39487 -25.6938 -43.1364 -25.962 -24.6239 TIMING: 86800 CPU: 258.739, 0.00296119/step Wall: 258.739, 0.00296119/step, 4.04136 hours remaining, 200.210938 MB of memory in use. ENERGY: 86800 715.1208 2113.0143 1950.5739 109.2737 -206583.4601 18049.7284 0.0000 0.0000 34238.0122 -149407.7367 299.0091 -183645.7489 -149304.5771 298.4307 -57.4160 -23.9995 557469.8286 -2.6398 -2.4817 PRESSURE: 87000 35.4835 -50.2966 -126.211 -50.2951 55.2779 -60.9184 -126.209 -60.9201 250.589 GPRESSURE: 87000 120.221 -59.7218 -168.652 -114.016 32.3312 77.9867 -74.6621 -106.441 277.505 PRESSAVG: 87000 25.1156 16.0561 5.65467 16.0561 -11.9143 7.15375 5.6547 7.15369 -17.19 GPRESSAVG: 87000 25.4406 17.406 3.90233 16.1744 -11.388 8.84746 7.6346 7.19499 -18.3594 TIMING: 87000 CPU: 259.331, 0.00296217/step Wall: 259.331, 0.00296217/step, 4.04254 hours remaining, 200.210938 MB of memory in use. ENERGY: 87000 721.2025 2031.1541 1939.9025 104.9420 -206527.3655 17929.0874 0.0000 0.0000 34304.5142 -149496.5628 299.5899 -183801.0770 -149403.3511 298.0385 113.7835 143.3523 557679.1993 -1.3296 -1.4356 PRESSURE: 87200 -39.9049 64.3938 46.0475 64.3928 -128.027 -118.92 46.0472 -118.92 72.9556 GPRESSURE: 87200 -22.9564 37.8215 37.9494 60.7652 -82.7415 -71.8864 17.1214 -75.5763 110.063 PRESSAVG: 87200 -8.66397 10.0011 5.96471 10.001 -35.209 31.827 5.96476 31.827 25.6642 GPRESSAVG: 87200 -7.91676 8.5828 6.97316 12.6958 -34.7101 31.1603 3.02042 30.6124 24.8126 TIMING: 87200 CPU: 259.921, 0.00294843/step Wall: 259.921, 0.00294843/step, 4.02362 hours remaining, 200.210938 MB of memory in use. ENERGY: 87200 763.4927 2119.5118 1941.9327 107.4380 -206266.5968 17722.8681 0.0000 0.0000 34420.7928 -149190.5606 300.6053 -183611.3534 -149094.0703 298.9403 -31.6589 1.4552 556527.6441 -6.0696 -5.9381 PRESSURE: 87400 -131.315 76.967 54.102 76.967 -247.997 192.848 54.1027 192.849 -60.475 GPRESSURE: 87400 -128.692 99.2488 -15.3527 37.1341 -167.706 144.081 49.5468 228.875 -51.1829 PRESSAVG: 87400 30.8194 -16.6585 8.546 -16.6584 -56.4472 30.5283 8.546 30.5284 70.8698 GPRESSAVG: 87400 30.9419 -15.1282 8.04896 -18.5906 -57.4831 29.7896 8.80236 31.4926 71.6448 TIMING: 87400 CPU: 260.509, 0.00294107/step Wall: 260.509, 0.00294107/step, 4.01342 hours remaining, 200.210938 MB of memory in use. ENERGY: 87400 772.7249 2053.5249 1942.6049 119.9213 -206245.1701 17803.8976 0.0000 0.0000 34246.2082 -149306.2884 299.0807 -183552.4965 -149203.0190 300.4266 -146.5959 -115.8602 557974.7925 15.0806 15.0345 PRESSURE: 87600 -180.687 3.21625 42.9086 3.21681 -41.5408 80.6285 42.9087 80.6284 -179.851 GPRESSURE: 87600 -160.901 46.1968 -7.46039 2.57782 12.304 109.784 167.386 155.044 -168.25 PRESSAVG: 87600 -15.7748 10.9705 -8.36092 10.9706 24.2745 44.4556 -8.36095 44.4557 -12.576 GPRESSAVG: 87600 -15.725 11.5151 -10.0658 11.4765 24.568 45.1445 -6.68284 44.4936 -12.8722 TIMING: 87600 CPU: 261.101, 0.00295847/step Wall: 261.101, 0.00295847/step, 4.03699 hours remaining, 200.210938 MB of memory in use. ENERGY: 87600 764.6244 2100.5915 1942.8771 107.9741 -206382.3284 17866.2973 0.0000 0.0000 34369.5732 -149230.3907 300.1580 -183599.9639 -149129.3788 299.4601 -134.0260 -105.6154 559128.8528 -1.3587 -1.3431 PRESSURE: 87800 18.0336 84.0856 -30.6306 84.0867 -65.5618 -11.7101 -30.63 -11.7101 101.845 GPRESSURE: 87800 55.0173 53.11 29.1817 106.381 -7.6667 -76.0996 -17.0996 21.4852 86.6359 PRESSAVG: 87800 -19.4483 28.8022 9.98011 28.8021 -4.958 16.0097 9.98016 16.0096 -27.2705 GPRESSAVG: 87800 -19.3169 27.4749 10.3613 28.4183 -3.61124 15.7717 8.55831 16.6291 -28.2591 TIMING: 87800 CPU: 261.695, 0.00297328/step Wall: 261.695, 0.00297328/step, 4.05704 hours remaining, 200.210938 MB of memory in use. ENERGY: 87800 758.9829 2047.8677 1953.6544 110.8584 -205908.2637 17814.8850 0.0000 0.0000 34067.6335 -149154.3819 297.5211 -183222.0153 -149056.5387 299.4596 18.1055 44.6622 558951.9294 -17.2256 -17.0624 PRESSURE: 88000 -31.7178 163.952 -68.5806 163.952 -5.7161 1.56326 -68.5807 1.56351 -114.003 GPRESSURE: 88000 -67.5258 202.077 -34.5311 72.3499 25.088 -54.3506 -45.1994 -30.654 -17.1872 PRESSAVG: 88000 -30.7627 9.51952 -36.8942 9.51951 27.3182 -19.8384 -36.8941 -19.8383 -0.363791 GPRESSAVG: 88000 -30.1525 10.1049 -34.4854 8.01672 26.7498 -20.0778 -38.271 -21.0206 0.000762681 TIMING: 88000 CPU: 262.297, 0.00300713/step Wall: 262.297, 0.00300713/step, 4.10306 hours remaining, 200.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 88000 736.5083 2100.8562 1936.7553 112.4172 -206084.6911 17692.6916 0.0000 0.0000 34350.1696 -149155.2928 299.9886 -183505.4625 -149061.2185 299.2840 -50.4788 -19.8750 557901.6660 -1.2694 -1.1340 PRESSURE: 88200 -3.48922 -27.0545 -92.7556 -27.0539 -21.5262 -16.2832 -92.7552 -16.2828 53.007 GPRESSURE: 88200 -20.1568 -89.8349 -36.6244 9.61912 70.5784 -48.396 -109.944 42.1415 71.4708 PRESSAVG: 88200 5.2793 -10.1273 -33.2848 -10.1275 0.934103 -16.134 -33.2848 -16.134 11.9585 GPRESSAVG: 88200 5.0022 -10.3946 -34.9736 -7.60937 0.433841 -16.497 -30.9745 -15.4742 12.8407 TIMING: 88200 CPU: 262.897, 0.00300251/step Wall: 262.897, 0.00300251/step, 4.09659 hours remaining, 200.210938 MB of memory in use. ENERGY: 88200 734.5924 2077.2688 1933.9362 103.1555 -205677.6159 17725.3891 0.0000 0.0000 34092.8857 -149010.3882 297.7417 -183103.2739 -148912.2335 299.4017 9.3305 40.6308 557602.7395 6.0573 6.0922 LDB: ============= START OF LOAD BALANCING ============== 266.448 LDB: ============== END OF LOAD BALANCING =============== 266.448 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 266.449 LDB: ============= START OF LOAD BALANCING ============== 266.75 LDB: Largest compute 4774 load 0.027345 is 23.2% of average load 0.117892 LDB: Average compute 0.001729 is 1.5% of average load 0.117892 LDB: TIME 266.753 LOAD: AVG 0.117892 MAX 0.210819 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 201.496 MB LDB: TIME 266.753 LOAD: AVG 0.117892 MAX 0.210819 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 201.559 MB LDB: TIME 266.753 LOAD: AVG 0.117892 MAX 0.210819 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 201.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 266.755 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 266.76 PRESSURE: 88400 -146.411 -178.762 -91.4629 -178.76 88.7411 -179.184 -91.463 -179.185 192.614 GPRESSURE: 88400 -64.0969 -180.315 -168.183 -89.8063 169.518 -69.6305 -73.1505 -252.524 123.011 PRESSAVG: 88400 -26.5035 -40.3054 24.8978 -40.3053 39.4031 -38.7451 24.8977 -38.7451 -10.8807 GPRESSAVG: 88400 -26.5367 -39.9851 25.4726 -39.6738 39.6757 -35.2614 25.3529 -40.5361 -11.9705 TIMING: 88400 CPU: 263.51, 0.00306257/step Wall: 263.51, 0.00306257/step, 4.17837 hours remaining, 199.953125 MB of memory in use. ENERGY: 88400 719.8631 2099.8203 1945.1301 127.9696 -206072.0115 17654.7139 0.0000 0.0000 34372.9062 -149151.6082 300.1871 -183524.5145 -149053.9996 299.4999 44.9816 76.1442 557203.4826 0.6730 0.3895 PRESSURE: 88600 363.404 -101.82 122.161 -101.82 185.457 30.8775 122.162 30.8784 118.244 GPRESSURE: 88600 348.404 -97.3634 60.1104 -77.1305 276.867 59.3164 159.468 -10.0872 133.287 PRESSAVG: 88600 9.64407 3.40147 -9.58962 3.40152 70.3878 -38.2448 -9.58961 -38.2447 17.7092 GPRESSAVG: 88600 9.22976 4.30604 -7.6866 2.44519 70.0781 -40.3942 -10.0268 -35.1916 18.3511 TIMING: 88600 CPU: 264.108, 0.00299372/step Wall: 264.108, 0.00299372/step, 4.08426 hours remaining, 199.953125 MB of memory in use. ENERGY: 88600 724.2402 2039.7636 1936.8169 112.3510 -206579.0193 18150.9062 0.0000 0.0000 34420.5147 -149194.4268 300.6029 -183614.9415 -149093.0025 299.2175 222.3685 252.8527 556124.6769 32.5804 32.5530 PRESSURE: 88800 -86.9704 -19.0489 -7.25669 -19.0475 -243.791 18.8436 -7.25739 18.8449 37.3824 GPRESSURE: 88800 -96.193 37.8083 -25.1866 -78.7496 -204.332 -36.3515 31.3729 47.4642 94.4415 PRESSAVG: 88800 -15.1494 -11.1032 43.3524 -11.1033 -18.2938 -36.0346 43.3525 -36.0347 20.5545 GPRESSAVG: 88800 -14.6331 -11.5732 42.285 -12.1468 -19.3534 -36.9001 43.7951 -38.0798 21.6608 TIMING: 88800 CPU: 264.706, 0.00298851/step Wall: 264.706, 0.00298851/step, 4.077 hours remaining, 199.953125 MB of memory in use. ENERGY: 88800 782.7821 2037.7979 1910.9173 109.9442 -206294.3604 17924.0644 0.0000 0.0000 34254.2399 -149274.6145 299.1508 -183528.8545 -149181.9584 298.8624 -97.7930 -68.6945 558791.7927 -4.2963 -4.1085 PRESSURE: 89000 -181.894 52.399 -55.622 52.399 28.4902 20.3956 -55.6222 20.3953 -4.04537 GPRESSURE: 89000 -169.571 58.5388 -56.9649 42.5021 48.5202 -19.9126 34.7295 43.2086 67.4711 PRESSAVG: 89000 31.5583 39.7401 5.41514 39.7401 -12.6016 67.0567 5.41521 67.0568 16.9731 GPRESSAVG: 89000 33.3213 40.5764 4.82684 40.5198 -12.6178 66.6438 4.95638 67.1496 14.8597 TIMING: 89000 CPU: 265.302, 0.00297847/step Wall: 265.302, 0.00297847/step, 4.06313 hours remaining, 199.953125 MB of memory in use. ENERGY: 89000 732.5570 2063.0351 1964.4206 116.2760 -206177.9927 17825.3367 0.0000 0.0000 34106.4143 -149369.9530 297.8598 -183476.3674 -149267.9272 298.7201 -52.4831 -17.8600 558481.4099 11.9766 11.8544 PRESSURE: 89200 -177.653 48.1568 8.26547 48.1566 -153.346 51.296 8.26536 51.2978 -272.004 GPRESSURE: 89200 -150.661 54.6906 5.15738 17.6195 -61.9694 89.8352 -56.118 116.019 -295.68 PRESSAVG: 89200 -23.4788 55.2156 30.1062 55.2156 77.9948 9.2005 30.1062 9.20055 -86.8563 GPRESSAVG: 89200 -23.9963 53.601 30.3279 56.6767 79.2028 9.60563 29.8506 10.3532 -87.8047 TIMING: 89200 CPU: 265.905, 0.00301463/step Wall: 265.905, 0.00301463/step, 4.11229 hours remaining, 199.953125 MB of memory in use. ENERGY: 89200 733.7099 2088.4411 1922.2617 115.9941 -206014.8141 17594.1015 0.0000 0.0000 34195.0516 -149365.2542 298.6339 -183560.3059 -149273.6979 298.4070 -201.0007 -169.4367 558962.1113 -10.7801 -10.8661 PRESSURE: 89400 -84.4758 79.0304 -145.563 79.0315 6.83811 -2.49681 -145.563 -2.49597 233.849 GPRESSURE: 89400 -47.6792 83.6709 -107.8 151.14 -0.380276 68.412 -111.669 -0.859954 295.416 PRESSAVG: 89400 -46.8424 15.9921 50.2929 15.9921 14.061 -1.91384 50.293 -1.91394 61.2372 GPRESSAVG: 89400 -47.2799 14.1626 49.3332 13.9667 12.9491 -1 51.7092 -3.39469 62.5429 TIMING: 89400 CPU: 266.506, 0.00300754/step Wall: 266.506, 0.00300754/step, 4.10245 hours remaining, 199.953125 MB of memory in use. ENERGY: 89400 703.9262 2102.8706 1948.7578 117.7641 -206420.4932 17986.5578 0.0000 0.0000 34140.9802 -149419.6366 298.1617 -183560.6168 -149330.9424 298.7735 52.0703 82.4522 557832.5755 9.4853 9.4040 PRESSURE: 89600 117.383 92.7438 -131.03 92.7428 143.618 104.781 -131.03 104.779 -90.5384 GPRESSURE: 89600 139.619 125.76 -250.9 53.327 190.062 127.381 -98.9213 86.3056 -73.4872 PRESSAVG: 89600 -28.9517 36.9403 -33.3041 36.9402 -2.21261 24.2498 -33.304 24.2497 36.1891 GPRESSAVG: 89600 -29.0835 39.6605 -33.6251 37.1981 -1.83506 23.627 -33.6008 27.0945 36.4122 TIMING: 89600 CPU: 267.106, 0.00300076/step Wall: 267.106, 0.00300076/step, 4.09303 hours remaining, 199.953125 MB of memory in use. ENERGY: 89600 727.1466 2078.6232 1929.4310 124.6334 -206338.5302 17831.6505 0.0000 0.0000 34276.5438 -149370.5018 299.3456 -183647.0456 -149286.8318 299.3405 56.8208 85.3980 557957.6084 1.6750 1.8312 PRESSURE: 89800 -68.5643 127.351 101.505 127.351 -84.7588 -45.2895 101.504 -45.289 -238.742 GPRESSURE: 89800 -86.2861 120.179 169.58 159.844 -35.782 -56.9329 147.717 -21.9331 -160.074 PRESSAVG: 89800 39.5957 -3.03757 0.604114 -3.03761 29.0602 21.7825 0.604177 21.7825 -21.2451 GPRESSAVG: 89800 39.9972 -2.9312 0.638199 -4.76996 29.0294 22.4591 2.30843 19.8786 -21.4616 TIMING: 89800 CPU: 267.7, 0.00296974/step Wall: 267.7, 0.00296974/step, 4.05056 hours remaining, 199.953125 MB of memory in use. ENERGY: 89800 748.2027 2074.4572 1925.9466 119.7673 -206316.1569 17788.5635 0.0000 0.0000 34424.1992 -149235.0206 300.6351 -183659.2198 -149126.7714 299.5261 -130.6884 -94.0473 559450.2675 15.8036 15.8550 PRESSURE: 90000 248.829 47.5329 -110.486 47.5322 -103.037 113.351 -110.486 113.351 299.685 GPRESSURE: 90000 259.194 190.364 -169.311 -68.8672 -55.889 39.1145 -119.923 77.077 336.57 PRESSAVG: 90000 -73.4708 -19.1795 -9.26169 -19.1794 37.6514 -10.5168 -9.26179 -10.5168 -10.6032 GPRESSAVG: 90000 -74.4218 -19.1612 -8.3875 -17.595 37.5019 -9.31794 -11.5873 -12.038 -10.5787 TIMING: 90000 CPU: 268.297, 0.00298075/step Wall: 268.297, 0.00298075/step, 4.06542 hours remaining, 199.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 90000 759.6801 2072.7240 1921.7634 102.5183 -206441.1313 18047.6233 0.0000 0.0000 34271.6804 -149265.1417 299.3031 -183536.8221 -149174.4234 299.1384 148.4922 179.9585 557077.7174 -15.4742 -15.8329 PRESSURE: 90200 -238.901 56.2687 -97.7543 56.2693 -22.6399 -104.101 -97.7537 -104.102 -54.1978 GPRESSURE: 90200 -219.344 119.651 2.45288 90.5502 45.8572 -60.8655 -131.612 -118.666 -34.8895 PRESSAVG: 90200 -39.8924 0.629076 12.0603 0.629161 24.2719 24.3187 12.0603 24.3187 24.6088 GPRESSAVG: 90200 -40.1635 1.42701 11.7564 1.38751 24.4703 23.3697 11.0466 24.9994 25.1165 TIMING: 90200 CPU: 268.885, 0.00294356/step Wall: 268.885, 0.00294356/step, 4.01453 hours remaining, 199.953125 MB of memory in use. ENERGY: 90200 740.3818 2111.6308 1929.5806 112.1982 -206103.5318 17713.7384 0.0000 0.0000 34159.4158 -149336.5863 298.3227 -183496.0020 -149239.2974 299.1866 -105.2462 -69.4588 558117.7054 2.9961 3.1411 PRESSURE: 90400 -128.342 34.3779 51.1367 34.3784 160.113 -7.54887 51.1381 -7.54839 -300.382 GPRESSURE: 90400 -123.953 36.5763 19.2105 14.6352 174.84 14.5193 53.8751 14.0184 -219.863 PRESSAVG: 90400 -58.8579 47.1214 3.29664 47.1213 52.6657 7.55145 3.29663 7.55131 29.1012 GPRESSAVG: 90400 -57.6272 46.9715 1.35142 45.6776 52.6252 8.22619 3.78665 8.05946 28.147 TIMING: 90400 CPU: 269.475, 0.0029507/step Wall: 269.475, 0.0029507/step, 4.02411 hours remaining, 199.953125 MB of memory in use. ENERGY: 90400 795.2516 2098.6476 1928.7935 108.4830 -206252.1330 17859.7244 0.0000 0.0000 34305.6922 -149155.5406 299.6001 -183461.2328 -149062.7127 298.8470 -89.5370 -56.3254 557869.3833 7.6363 7.7150 PRESSURE: 90600 30.7721 139.532 171.842 139.531 102.338 -81.9072 171.842 -81.9078 3.86036 GPRESSURE: 90600 65.2801 135.945 188.878 179.544 157.79 -21.8499 124.113 -138.873 9.61577 PRESSAVG: 90600 26.4406 -2.05495 -5.58362 -2.055 0.32689 -13.2085 -5.58361 -13.2084 -33.7774 GPRESSAVG: 90600 25.9135 -2.36681 -4.04478 -1.77678 -0.477488 -13.8518 -5.09913 -13.7461 -32.1708 TIMING: 90600 CPU: 270.071, 0.00298042/step Wall: 270.071, 0.00298042/step, 4.06447 hours remaining, 199.953125 MB of memory in use. ENERGY: 90600 750.1368 2108.5690 1942.0887 126.0558 -206383.9224 17996.8951 0.0000 0.0000 34125.6720 -149334.5050 298.0280 -183460.1769 -149238.7538 299.0735 45.6567 77.5621 557666.6434 -2.3366 -2.2449 PRESSURE: 90800 28.211 -82.511 -64.38 -82.5103 -168.129 -86.968 -64.3795 -86.9684 -4.33595 GPRESSURE: 90800 76.3315 -188.971 -89.709 -41.3993 -174.531 -15.1248 10.3668 -102.438 39.7435 PRESSAVG: 90800 39.743 27.9492 -20.4997 27.9492 -10.978 18.6016 -20.4997 18.6017 -27.487 GPRESSAVG: 90800 39.8441 26.5507 -20.9058 30.3418 -10.4903 18.3811 -21.078 18.2269 -28.362 TIMING: 90800 CPU: 270.663, 0.00295532/step Wall: 270.663, 0.00295532/step, 4.03007 hours remaining, 199.953125 MB of memory in use. ENERGY: 90800 732.1638 2072.0515 1948.2540 120.6236 -205741.6568 17546.1349 0.0000 0.0000 34141.0575 -149181.3716 298.1623 -183322.4290 -149076.9636 298.8563 -48.0848 -19.4854 559017.1840 0.4260 0.3306 PRESSURE: 91000 -45.9058 -10.7347 89.8702 -10.7353 93.8249 77.0781 89.8704 77.0793 -166.017 GPRESSURE: 91000 -15.994 -29.4874 78.4476 -58.979 77.1106 43.367 32.0642 77.2729 -82.5606 PRESSAVG: 91000 44.5768 17.961 -11.9667 17.961 3.68534 2.32924 -11.9667 2.32928 -23.0522 GPRESSAVG: 91000 43.7654 19.7642 -10.4581 16.6433 4.60365 3.25194 -10.3777 2.64396 -23.7164 TIMING: 91000 CPU: 271.251, 0.00294335/step Wall: 271.251, 0.00294335/step, 4.01358 hours remaining, 199.953125 MB of memory in use. ENERGY: 91000 750.4516 2088.3211 1944.9383 108.7257 -206053.4913 17742.4647 0.0000 0.0000 34179.2574 -149239.3325 298.4960 -183418.5899 -149148.8911 299.4458 -39.3660 -7.1480 557671.5080 8.4033 8.2176 PRESSURE: 91200 -174.716 -29.3085 -53.755 -29.309 -2.84233 62.8175 -53.7546 62.8194 -116.708 GPRESSURE: 91200 -139.273 -108.609 66.2351 -38.9523 36.6858 -7.11688 -81.7375 103.613 -83.1158 PRESSAVG: 91200 -64.9978 25.5531 5.97049 25.553 112.954 -18.0763 5.97056 -18.0762 -90.5022 GPRESSAVG: 91200 -63.7206 24.0835 4.88884 27.4809 111.37 -17.4851 4.61559 -18.7526 -90.298 TIMING: 91200 CPU: 271.842, 0.00295242/step Wall: 271.842, 0.00295242/step, 4.02579 hours remaining, 199.953125 MB of memory in use. ENERGY: 91200 751.3429 2132.7389 1951.4707 126.7493 -206031.3563 17579.5824 0.0000 0.0000 34312.5195 -149176.9525 299.6598 -183489.4720 -149079.7464 299.3049 -98.0888 -61.9010 557382.2218 -14.1821 -14.2162 PRESSURE: 91400 -48.3883 -46.1092 -77.627 -46.1087 -101.401 -2.4151 -77.6265 -2.41479 -3.32445 GPRESSURE: 91400 -34.927 -105.612 -4.44983 -28.0655 -71.4463 38.6916 -79.8721 45.6016 58.416 PRESSAVG: 91400 -6.82447 33.2072 -22.0746 33.2072 -18.1967 60.125 -22.0745 60.1251 39.0384 GPRESSAVG: 91400 -8.13629 35.084 -22.5871 30.9265 -17.6676 56.9368 -20.2919 63.3731 39.7216 TIMING: 91400 CPU: 272.438, 0.00298085/step Wall: 272.438, 0.00298085/step, 4.06438 hours remaining, 199.953125 MB of memory in use. ENERGY: 91400 780.0042 2115.0411 1938.7303 115.1878 -206107.2070 17774.5529 0.0000 0.0000 34288.9743 -149094.7164 299.4541 -183383.6907 -148998.0752 299.5920 -51.0380 -15.9857 557027.5537 4.6724 4.6392 PRESSURE: 91600 -110.966 117.596 -110.873 117.597 -53.3362 67.687 -110.871 67.6884 -172.804 GPRESSURE: 91600 -59.0888 64.857 -221.74 144.851 -68.8626 20.4814 -51.121 103.24 -113.778 PRESSAVG: 91600 -9.647 -12.4452 2.26539 -12.4451 -0.0263673 -0.782438 2.26544 -0.782403 14.0097 GPRESSAVG: 91600 -8.64234 -12.9805 2.82353 -12.6519 -1.19417 1.78721 0.699025 -2.7489 14.0508 TIMING: 91600 CPU: 273.031, 0.00296665/step Wall: 273.031, 0.00296665/step, 4.04487 hours remaining, 199.953125 MB of memory in use. ENERGY: 91600 724.0534 2145.4973 1919.9372 113.2556 -205899.9389 17559.7386 0.0000 0.0000 34323.8519 -149113.6050 299.7587 -183437.4569 -149024.1419 300.4454 -112.3686 -80.5766 556620.2511 1.4454 1.4048 PRESSURE: 91800 51.1386 70.5888 -147.462 70.5889 -60.8776 23.6492 -147.463 23.6489 211.515 GPRESSURE: 91800 102.336 172.869 -69.0784 -8.77835 -66.9442 -16.0882 -245.874 -4.72911 267.845 PRESSAVG: 91800 26.251 -12.7885 14.0676 -12.7885 -28.4088 -15.2416 14.0676 -15.2415 8.85266 GPRESSAVG: 91800 25.1492 -12.5071 12.6045 -12.6556 -27.1772 -13.4946 13.0294 -17.4938 8.66357 TIMING: 91800 CPU: 273.626, 0.00297165/step Wall: 273.626, 0.00297165/step, 4.05151 hours remaining, 199.953125 MB of memory in use. ENERGY: 91800 743.2830 2075.4499 1942.6819 111.8304 -206194.2777 17814.6206 0.0000 0.0000 34217.8170 -149288.5947 298.8327 -183506.4118 -149197.1332 299.3748 67.2587 101.0789 556601.6364 2.2316 2.2119 PRESSURE: 92000 32.4107 41.8842 0.898708 41.8843 -196.203 53.6668 0.898603 53.6667 -36.5207 GPRESSURE: 92000 67.6018 42.5472 24.4778 -25.9983 -201.306 33.3051 -61.8868 -7.70696 22.3514 PRESSAVG: 92000 2.10395 4.28337 16.0192 4.28324 -32.4491 -27.0675 16.0192 -27.0676 48.946 GPRESSAVG: 92000 2.95972 3.10128 16.7131 4.80304 -32.6863 -29.3038 17.6422 -26.0805 48.7812 TIMING: 92000 CPU: 274.221, 0.00297575/step Wall: 274.221, 0.00297575/step, 4.05694 hours remaining, 199.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 92000 744.8861 2067.4807 1943.5913 99.0900 -206201.5171 17782.3706 0.0000 0.0000 34110.5031 -149453.5953 297.8955 -183564.0984 -149349.3801 299.2390 -66.7709 -37.1176 557732.1028 6.2003 6.3515 PRESSURE: 92200 263.037 -97.4658 -53.7604 -97.4662 -39.2472 11.8419 -53.7604 11.8416 210.916 GPRESSURE: 92200 302.821 -38.1481 -110.496 -102.552 -4.41637 21.6229 6.64662 -19.667 228.435 PRESSAVG: 92200 -16.3211 -56.643 5.11884 -56.643 -30.6593 -7.11531 5.11885 -7.11512 36.7142 GPRESSAVG: 92200 -16.838 -57.3666 4.43243 -57.1758 -31.4621 -5.95248 4.86247 -6.11105 37.4167 TIMING: 92200 CPU: 274.815, 0.00297018/step Wall: 274.815, 0.00297018/step, 4.04918 hours remaining, 199.953125 MB of memory in use. ENERGY: 92200 745.5845 2094.8769 1945.3939 116.6618 -206730.9699 18055.8575 0.0000 0.0000 34294.2513 -149478.3441 299.5002 -183772.5954 -149385.3642 298.5797 144.9018 175.6134 557675.0589 -3.4221 -3.6278 LDB: ============= START OF LOAD BALANCING ============== 278.363 LDB: ============== END OF LOAD BALANCING =============== 278.364 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 278.365 LDB: ============= START OF LOAD BALANCING ============== 278.666 LDB: Largest compute 4774 load 0.027625 is 23.4% of average load 0.118034 LDB: Average compute 0.001726 is 1.5% of average load 0.118034 LDB: TIME 278.668 LOAD: AVG 0.118034 MAX 0.210743 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 201.234 MB LDB: TIME 278.669 LOAD: AVG 0.118034 MAX 0.210743 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 201.438 MB LDB: TIME 278.669 LOAD: AVG 0.118034 MAX 0.210743 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 201.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 278.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 278.675 PRESSURE: 92400 -87.7949 -130.377 64.6136 -130.378 -59.4496 -43.867 64.612 -43.8676 172.401 GPRESSURE: 92400 -24.7193 -60.1259 140.758 -91.8924 -74.6933 -25.6756 67.5129 17.5744 240.517 PRESSAVG: 92400 20.6897 12.8974 35.4355 12.8973 -58.6073 -31.2505 35.4354 -31.2505 21.0415 GPRESSAVG: 92400 20.1677 14.2265 37.4687 12.7089 -58.1105 -34.2496 35.7195 -30.5745 20.7032 TIMING: 92400 CPU: 275.425, 0.00304941/step Wall: 275.425, 0.00304941/step, 4.15702 hours remaining, 200.679688 MB of memory in use. ENERGY: 92400 741.1956 2070.3008 1954.1377 107.8808 -206606.5918 17978.4523 0.0000 0.0000 34231.5591 -149523.0656 298.9527 -183754.6246 -149429.6183 298.1499 8.3854 47.0350 558730.2789 -5.6253 -5.7465 PRESSURE: 92600 -188.143 -68.5024 100.568 -68.5027 -220.107 48.2409 100.568 48.24 46.3428 GPRESSURE: 92600 -169.135 -182.192 107.484 -33.9498 -150.023 33.0411 82.9531 21.227 58.984 PRESSAVG: 92600 -9.85034 -13.353 77.6575 -13.353 -12.453 -33.9688 77.6576 -33.9687 37.9164 GPRESSAVG: 92600 -9.18035 -12.1813 77.3719 -13.5219 -12.8307 -31.7926 76.5485 -34.4043 37.8854 TIMING: 92600 CPU: 276.02, 0.00297677/step Wall: 276.02, 0.00297677/step, 4.05784 hours remaining, 200.882812 MB of memory in use. ENERGY: 92600 792.2836 2071.0690 1949.8594 121.5816 -206292.1172 17717.9780 0.0000 0.0000 34149.8956 -149489.4500 298.2395 -183639.3456 -149389.6402 298.0351 -120.6357 -86.7249 557328.6296 5.2044 5.2915 PRESSURE: 92800 294.242 -80.6002 153.969 -80.6 -127.733 -172.062 153.969 -172.061 19.0749 GPRESSURE: 92800 292.036 -60.8875 177.207 -152.089 -107.385 -192.356 178.46 -130.967 92.4059 PRESSAVG: 92800 0.172194 -65.2734 57.5367 -65.2733 -105.166 -79.6759 57.5368 -79.6758 82.5648 GPRESSAVG: 92800 -1.43692 -67.6139 56.0419 -63.8506 -103.663 -79.2088 56.0729 -77.102 82.6483 TIMING: 92800 CPU: 276.617, 0.00298624/step Wall: 276.617, 0.00298624/step, 4.07057 hours remaining, 200.882812 MB of memory in use. ENERGY: 92800 765.1367 2076.9784 1928.1686 116.6896 -206797.8564 18005.3515 0.0000 0.0000 34258.7424 -149646.7893 299.1901 -183905.5317 -149548.6715 298.5679 61.8615 92.3522 557645.2431 -7.4763 -7.4838 PRESSURE: 93000 -61.2791 -1.04824 94.4572 -1.04919 -148.943 192.457 94.4567 192.456 195.544 GPRESSURE: 93000 -7.62181 -25.8576 117.486 -37.9338 -122.303 173.977 125.391 216.537 207.666 PRESSAVG: 93000 8.12301 -68.8731 8.79349 -68.8731 -38.6888 -25.0619 8.79347 -25.0618 36.8403 GPRESSAVG: 93000 9.30253 -67.6938 8.58778 -68.3613 -39.0777 -25.997 11.8199 -27.1173 36.4774 TIMING: 93000 CPU: 277.213, 0.00297713/step Wall: 277.213, 0.00297713/step, 4.058 hours remaining, 200.882812 MB of memory in use. ENERGY: 93000 781.2132 2133.2554 1928.1750 108.5798 -206545.3701 17880.5879 0.0000 0.0000 33925.1170 -149788.4417 296.2765 -183713.5587 -149693.6601 297.9794 -4.8928 25.9138 556880.1043 2.0915 2.2341 PRESSURE: 93200 64.8424 92.4494 -187.69 92.4497 153.588 -200.777 -187.691 -200.776 -31.5312 GPRESSURE: 93200 84.3923 30.5352 -168.552 40.2182 205.314 -143.841 -236.924 -218.668 8.09226 PRESSAVG: 93200 -35.3816 -35.6855 -9.34369 -35.6855 55.9914 -11.5559 -9.34368 -11.5558 -20.9543 GPRESSAVG: 93200 -35.5822 -35.805 -9.37489 -35.4181 57.065 -11.5678 -8.36104 -11.8857 -21.7778 TIMING: 93200 CPU: 277.807, 0.00297242/step Wall: 277.807, 0.00297242/step, 4.0514 hours remaining, 200.882812 MB of memory in use. ENERGY: 93200 756.3623 2052.2054 1963.4077 108.8617 -206784.1474 17986.7659 0.0000 0.0000 34091.0514 -149825.4931 297.7256 -183916.5444 -149730.4209 297.1653 62.2996 99.2663 555964.7734 -0.1148 -0.0983 PRESSURE: 93400 -8.49138 68.8822 -8.58149 68.8816 -186.478 161.856 -8.58113 161.855 -233.44 GPRESSURE: 93400 30.8227 43.0458 -7.96607 122.626 -192.356 215.006 -69.2108 70.1152 -173.575 PRESSAVG: 93400 -7.73197 -22.2681 -50.1205 -22.2682 40.0116 -6.13956 -50.1206 -6.13961 -31.242 GPRESSAVG: 93400 -7.2484 -22.1434 -49.7358 -23.3666 38.0148 -4.57568 -50.6863 -8.35019 -29.8988 TIMING: 93400 CPU: 278.401, 0.00297176/step Wall: 278.401, 0.00297176/step, 4.05035 hours remaining, 200.882812 MB of memory in use. ENERGY: 93400 759.4849 2106.5014 1912.3100 106.5641 -206304.0864 17763.1559 0.0000 0.0000 34087.9609 -149568.1093 297.6986 -183656.0701 -149471.5826 297.9758 -142.8030 -111.7027 556445.5682 0.3459 0.2892 PRESSURE: 93600 18.7255 -20.4709 -224.596 -20.4711 87.0052 -58.5092 -224.595 -58.5099 -264.385 GPRESSURE: 93600 76.2905 -53.0943 -173.781 -15.4162 156.774 -168.75 -237.156 -74.2254 -305.357 PRESSAVG: 93600 12.2696 -17.1058 -11.7274 -17.1057 25.6432 -2.38495 -11.7274 -2.38498 -66.8281 GPRESSAVG: 93600 12.696 -18.3219 -11.6221 -16.229 26.2393 -4.43755 -13.3437 -1.98698 -68.4376 TIMING: 93600 CPU: 278.995, 0.00296986/step Wall: 278.995, 0.00296986/step, 4.04759 hours remaining, 200.882812 MB of memory in use. ENERGY: 93600 725.3626 2122.7567 1948.3962 119.9783 -206320.0574 17804.6894 0.0000 0.0000 34163.0032 -149435.8710 298.3540 -183598.8742 -149338.6479 298.4483 -52.8846 -24.0976 557455.0934 -9.6384 -9.8341 PRESSURE: 93800 120.346 118.635 -153.415 118.636 95.5401 51.5442 -153.416 51.5448 -289.056 GPRESSURE: 93800 130.263 155.131 -164.884 16.9893 161.942 10.4349 -117.234 -11.872 -276.235 PRESSAVG: 93800 15.5178 18.063 -17.6959 18.063 53.9645 11.0338 -17.696 11.0338 -56.7974 GPRESSAVG: 93800 13.5745 19.8066 -18.6297 16.3979 55.3254 10.2319 -16.3705 12.505 -55.6113 TIMING: 93800 CPU: 279.586, 0.00295107/step Wall: 279.586, 0.00295107/step, 4.02181 hours remaining, 200.882812 MB of memory in use. ENERGY: 93800 759.8666 2074.9515 1951.9459 108.9220 -206404.3797 17766.1170 0.0000 0.0000 34245.0651 -149497.5117 299.0707 -183742.5767 -149406.3159 298.9150 -24.3901 5.3237 557636.3953 4.2283 4.4295 PRESSURE: 94000 -132.217 -84.468 -179.165 -84.4671 -63.8232 103.594 -179.165 103.594 -241.707 GPRESSURE: 94000 -128.984 -24.8929 -175.643 -193.954 -15.0436 -14.0217 -237.542 125.22 -195.979 PRESSAVG: 94000 2.21532 42.3528 -5.77263 42.3527 37.3616 -39.2619 -5.77263 -39.2619 -26.1902 GPRESSAVG: 94000 3.46194 42.4737 -4.94856 42.7439 36.6214 -37.2998 -7.19994 -38.115 -26.5933 TIMING: 94000 CPU: 280.183, 0.00298595/step Wall: 280.183, 0.00298595/step, 4.06919 hours remaining, 200.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 94000 781.3737 2094.4694 1960.8924 115.5631 -206229.2825 17663.0251 0.0000 0.0000 34047.9255 -149566.0334 297.3490 -183613.9589 -149463.9389 297.9097 -145.9155 -113.3354 557074.7607 4.4622 4.4967 PRESSURE: 94200 -218.654 57.2417 -157.005 57.242 -230.262 -135.786 -157.006 -135.785 -98.9416 GPRESSURE: 94200 -145.939 39.5411 -78.8513 79.4526 -184.646 -82.7741 -158.747 -156.371 -120.137 PRESSAVG: 94200 11.261 39.7517 -10.7668 39.7518 11.6899 -24.6594 -10.7669 -24.6594 -4.0689 GPRESSAVG: 94200 11.4092 37.8234 -8.54938 41.7442 11.6275 -24.3899 -9.5232 -27.0612 -4.50716 TIMING: 94200 CPU: 280.78, 0.00298495/step Wall: 280.78, 0.00298495/step, 4.06766 hours remaining, 200.882812 MB of memory in use. ENERGY: 94200 785.7494 2051.7505 1929.2862 120.9403 -206387.1177 17676.0350 0.0000 0.0000 34178.9449 -149644.4114 298.4932 -183823.3563 -149550.4648 298.5492 -182.6190 -150.2408 557187.6869 6.2940 6.1765 PRESSURE: 94400 -168.251 75.7733 -173.54 75.7725 -39.4403 72.2431 -173.54 72.2431 -249.991 GPRESSURE: 94400 -200.433 150.657 -181.44 51.611 -26.7507 31.9983 -171.063 37.0736 -137.968 PRESSAVG: 94400 -11.7859 5.85623 11.8375 5.85613 21.0014 -15.8991 11.8375 -15.899 -23.5281 GPRESSAVG: 94400 -11.942 7.72915 10.7166 4.07945 20.6404 -19.2142 12.2236 -11.9386 -22.9461 TIMING: 94400 CPU: 281.374, 0.00297258/step Wall: 281.374, 0.00297258/step, 4.05064 hours remaining, 200.882812 MB of memory in use. ENERGY: 94400 718.2734 2128.8431 1932.3602 117.0024 -206197.1546 17524.9564 0.0000 0.0000 34346.8956 -149428.8235 299.9600 -183775.7191 -149326.4120 298.9222 -152.5609 -121.7170 556790.4222 -4.7709 -4.7493 PRESSURE: 94600 -162.014 85.3243 8.15215 85.3255 -227.697 71.8214 8.15371 71.8218 27.4165 GPRESSURE: 94600 -86.5472 55.763 -35.3859 128.535 -210.951 93.9208 40.4105 -81.1233 31.1657 PRESSAVG: 94600 40.4378 27.4534 26.7399 27.4534 9.30602 -15.3667 26.7399 -15.3668 -17.9332 GPRESSAVG: 94600 39.7098 28.2816 28.199 26.6117 10.0513 -12.7851 24.8419 -18.8838 -17.6704 TIMING: 94600 CPU: 281.966, 0.00295871/step Wall: 281.966, 0.00295871/step, 4.03158 hours remaining, 200.882812 MB of memory in use. ENERGY: 94600 714.5712 2126.8671 1937.1488 114.1259 -206363.4764 17633.2875 0.0000 0.0000 34295.2617 -149542.2142 299.5090 -183837.4759 -149442.2238 298.8073 -120.7648 -88.7776 557274.6617 10.6035 10.6969 PRESSURE: 94800 223.906 149.527 -85.0233 149.528 -121.707 48.6319 -85.0235 48.6313 -148.776 GPRESSURE: 94800 250.403 129.969 -93.2997 143.591 -93.1198 53.5713 -92.7731 10.8135 -91.0378 PRESSAVG: 94800 -18.8304 -12.4586 -5.80789 -12.4586 19.828 -19.8057 -5.80787 -19.8057 21.4492 GPRESSAVG: 94800 -19.0094 -14.1092 -5.98734 -10.3018 20.7841 -19.4803 -5.35034 -18.7737 20.8528 TIMING: 94800 CPU: 282.561, 0.0029766/step Wall: 282.561, 0.0029766/step, 4.05579 hours remaining, 200.882812 MB of memory in use. ENERGY: 94800 740.5372 2100.2260 1942.4459 125.5469 -206351.6621 17752.3910 0.0000 0.0000 34259.1703 -149431.3448 299.1939 -183690.5151 -149339.4530 299.6147 -15.5257 22.0817 556335.9584 7.4823 7.5425 PRESSURE: 95000 -134.976 -76.3771 109.307 -76.3777 190.031 140.681 109.307 140.681 104.305 GPRESSURE: 95000 -84.5301 -134.483 191.992 61.048 169.002 97.7263 67.1611 150.051 167.525 PRESSAVG: 95000 -46.1739 20.2088 -0.444382 20.2088 59.7043 -16.7131 -0.444374 -16.7131 -34.8382 GPRESSAVG: 95000 -46.3428 19.1938 -3.36026 20.1395 59.6907 -17.0698 2.13686 -18.3767 -34.2762 TIMING: 95000 CPU: 283.154, 0.00296489/step Wall: 283.154, 0.00296489/step, 4.03966 hours remaining, 200.882812 MB of memory in use. ENERGY: 95000 729.1871 2132.4898 1934.9358 111.1951 -206420.7266 17733.6510 0.0000 0.0000 34338.8373 -149440.4306 299.8896 -183779.2678 -149346.4399 299.0737 53.1200 83.9989 554685.4906 -7.1026 -6.9761 PRESSURE: 95200 -58.1408 -106.927 -83.3222 -106.926 134.659 35.3212 -83.3221 35.3212 -267.288 GPRESSURE: 95200 -31.1126 -103.413 -56.6152 -87.2656 153.381 18.6479 -89.7147 89.3047 -220.007 PRESSAVG: 95200 -26.1862 -10.2842 -24.8232 -10.2842 74.36 -0.33148 -24.8232 -0.331407 -37.8261 GPRESSAVG: 95200 -25.9836 -9.36354 -23.3307 -9.67445 74.6294 -0.44042 -25.8729 0.277209 -38.2026 TIMING: 95200 CPU: 283.75, 0.00297925/step Wall: 283.75, 0.00297925/step, 4.05906 hours remaining, 200.882812 MB of memory in use. ENERGY: 95200 736.6937 2148.1743 1931.5516 111.2978 -206566.4352 17727.9849 0.0000 0.0000 34415.0848 -149495.6481 300.5555 -183910.7329 -149394.9221 299.6772 -63.5900 -32.5796 555816.1936 3.4492 3.4810 PRESSURE: 95400 -46.6706 84.4023 61.3408 84.4021 213.375 -0.48701 61.3414 -0.48671 96.2978 GPRESSURE: 95400 -19.0215 10.749 74.9221 113.184 203.266 -99.9816 176.44 27.2911 173.97 PRESSAVG: 95400 -36.3345 16.9385 29.875 16.9386 73.6868 -8.55087 29.8751 -8.55101 -32.9335 GPRESSAVG: 95400 -35.0358 17.5054 31.5024 15.7367 73.216 -8.96673 29.9224 -9.14086 -33.774 TIMING: 95400 CPU: 284.343, 0.0029658/step Wall: 284.343, 0.0029658/step, 4.04057 hours remaining, 200.882812 MB of memory in use. ENERGY: 95400 765.7868 2125.5755 1938.4033 119.2601 -206733.6977 18131.1452 0.0000 0.0000 34222.1013 -149431.4254 298.8701 -183653.5267 -149339.0406 299.2123 87.6675 119.4047 555585.4930 1.4729 1.4687 PRESSURE: 95600 -292.544 -2.56662 -96.0383 -2.56656 -56.9196 -58.0106 -96.0383 -58.0099 7.76746 GPRESSURE: 95600 -196.904 1.97122 -147.9 -11.7465 -41.9595 -63.442 -10.8299 -5.15578 -1.22492 PRESSAVG: 95600 -15.8934 58.5746 15.5669 58.5746 35.5497 -1.27771 15.5669 -1.27761 16.5217 GPRESSAVG: 95600 -17.7134 57.4428 15.4137 59.506 36.2485 -0.141561 16.3506 -0.928848 17.7218 TIMING: 95600 CPU: 284.94, 0.00298246/step Wall: 284.94, 0.00298246/step, 4.0631 hours remaining, 200.882812 MB of memory in use. ENERGY: 95600 749.5432 2096.2339 1971.8457 98.4987 -206356.9597 17788.6134 0.0000 0.0000 34509.9399 -149142.2850 301.3839 -183652.2249 -149051.9190 299.0229 -113.8989 -80.0294 557172.0858 12.0593 12.0856 PRESSURE: 95800 -130.436 71.4119 87.0562 71.4129 95.4553 -1.83779 87.0565 -1.8379 3.21847 GPRESSURE: 95800 -127.302 164.162 -22.1676 63.4258 180.207 63.4799 135.677 -105.638 17.8564 PRESSAVG: 95800 -12.7391 24.6656 2.3763 24.6654 63.5448 -0.590717 2.37631 -0.590715 -14.3976 GPRESSAVG: 95800 -13.2707 25.8342 0.91203 23.3321 63.7245 -2.06893 3.64602 -0.458991 -13.9204 TIMING: 95800 CPU: 285.535, 0.0029739/step Wall: 285.535, 0.0029739/step, 4.05127 hours remaining, 200.882812 MB of memory in use. ENERGY: 95800 717.0510 2153.7987 1917.0240 109.9818 -206077.3963 17773.1083 0.0000 0.0000 34344.5949 -149061.8375 299.9399 -183406.4324 -148965.4645 299.7479 -10.5875 23.5869 557262.8237 12.1360 12.1778 PRESSURE: 96000 -55.5401 -163.178 2.91274 -163.177 129.381 -151.061 2.91278 -151.06 207.686 GPRESSURE: 96000 -28.4239 -174.624 -11.5579 -106.828 153.598 -155.898 -75.7413 -146.348 255.108 PRESSAVG: 96000 -58.176 -24.7986 -3.57782 -24.7985 26.674 -40.056 -3.57785 -40.056 13.6785 GPRESSAVG: 96000 -57.4978 -26.6924 -3.15898 -23.2181 25.9251 -38.6327 -5.5974 -39.4475 13.6109 TIMING: 96000 CPU: 286.128, 0.00296731/step Wall: 286.128, 0.00296731/step, 4.04214 hours remaining, 200.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 96000 716.4474 2145.4617 1924.6810 114.3742 -205855.3145 17681.4968 0.0000 0.0000 34274.3660 -148998.4875 299.3266 -183272.8536 -148909.7780 299.5906 93.8426 126.7609 555653.5468 -5.9412 -5.9872 PRESSURE: 96200 295.634 167.787 -25.7716 167.787 -162.486 27.4218 -25.7723 27.4226 104.781 GPRESSURE: 96200 358.477 106.621 -0.917265 189.222 -112.678 3.08626 -4.26366 -18.4408 88.8655 PRESSAVG: 96200 67.1782 44.7829 0.064717 44.7828 -73.805 -19.7127 0.0647451 -19.7128 43.6521 GPRESSAVG: 96200 66.35 44.676 0.827918 44.4874 -74.1792 -20.4106 -0.618121 -18.348 44.5907 TIMING: 96200 CPU: 286.724, 0.00298056/step Wall: 286.724, 0.00298056/step, 4.06002 hours remaining, 200.882812 MB of memory in use. ENERGY: 96200 773.6345 2097.9057 1928.4695 109.1864 -206330.2421 17960.6069 0.0000 0.0000 34271.7944 -149188.6448 299.3041 -183460.4392 -149091.1804 300.2782 79.3096 111.5549 556144.4915 12.3418 12.2538 LDB: ============= START OF LOAD BALANCING ============== 290.273 LDB: ============== END OF LOAD BALANCING =============== 290.273 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 290.275 LDB: ============= START OF LOAD BALANCING ============== 290.575 LDB: Largest compute 4795 load 0.027983 is 23.7% of average load 0.117954 LDB: Average compute 0.001718 is 1.5% of average load 0.117954 LDB: TIME 290.578 LOAD: AVG 0.117954 MAX 0.211615 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.219 MB LDB: TIME 290.578 LOAD: AVG 0.117954 MAX 0.211615 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.227 MB LDB: TIME 290.578 LOAD: AVG 0.117954 MAX 0.211615 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 290.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 290.584 PRESSURE: 96400 243.614 -275.829 18.816 -275.829 48.1915 9.50202 18.8162 9.5021 242.441 GPRESSURE: 96400 291.453 -205.064 -89.0595 -254.52 119.972 66.6787 42.9275 -16.0449 216.941 PRESSAVG: 96400 33.9376 2.00604 -43.7744 2.00599 -40.7587 -5.00748 -43.7745 -5.00753 -11.604 GPRESSAVG: 96400 35.4378 4.77036 -45.3257 -0.0852931 -40.3374 -5.73204 -42.9758 -6.91107 -13.0397 TIMING: 96400 CPU: 287.334, 0.00304895/step Wall: 287.334, 0.00304895/step, 4.15301 hours remaining, 200.515625 MB of memory in use. ENERGY: 96400 748.2935 2054.7362 1948.5063 119.9916 -206450.3519 18048.0776 0.0000 0.0000 34266.9480 -149263.7986 299.2618 -183530.7466 -149169.1848 299.5546 178.0821 209.4553 555887.7388 -6.1417 -5.9798 PRESSURE: 96600 277.9 -64.1448 50.8899 -64.1443 98.2398 35.8702 50.8897 35.8704 -22.9769 GPRESSURE: 96600 289.084 -42.4737 47.1788 -75.8166 109.623 45.8439 24.6758 -4.23669 43.0202 PRESSAVG: 96600 3.64917 -10.3727 0.927864 -10.3727 66.7778 -76.8265 0.92775 -76.8266 5.30033 GPRESSAVG: 96600 1.91963 -11.5849 1.86272 -9.85495 67.2258 -75.2512 1.68848 -78.1634 6.04394 TIMING: 96600 CPU: 287.932, 0.00299194/step Wall: 287.932, 0.00299194/step, 4.07519 hours remaining, 200.515625 MB of memory in use. ENERGY: 96600 723.5100 2061.1641 1932.8905 121.3759 -206762.1186 18065.2809 0.0000 0.0000 34451.9009 -149405.9963 300.8770 -183857.8972 -149309.7177 299.2360 117.7210 147.2426 555758.5221 25.2424 25.0631 PRESSURE: 96800 -163.26 -17.951 74.7789 -17.9508 187.833 152.147 74.7792 152.146 -208.43 GPRESSURE: 96800 -73.5073 -87.5249 80.8648 60.5621 173.995 57.1823 87.0712 211.216 -179.948 PRESSAVG: 96800 15.3667 -37.1823 -7.19889 -37.1823 3.99117 9.56194 -7.19891 9.56202 10.7182 GPRESSAVG: 96800 17.791 -37.3781 -8.75957 -37.0367 2.01099 7.41593 -5.86789 11.0308 9.94068 TIMING: 96800 CPU: 288.535, 0.00301384/step Wall: 288.535, 0.00301384/step, 4.10485 hours remaining, 200.515625 MB of memory in use. ENERGY: 96800 710.8579 2080.8397 1928.0345 121.3861 -206296.2272 17556.8243 0.0000 0.0000 34408.2672 -149490.0176 300.4960 -183898.2848 -149393.7211 298.7185 -61.2857 -26.4870 554729.5998 10.0254 9.9142 PRESSURE: 97000 226.919 44.645 33.9275 44.6459 240.046 -3.95747 33.9289 -3.95622 316.711 GPRESSURE: 97000 271.865 53.3783 29.1596 40.3934 239.9 -112.323 102.38 99.6218 364.863 PRESSAVG: 97000 -27.2352 -25.5714 27.2437 -25.5713 9.9721 0.413215 27.2437 0.413234 7.6769 GPRESSAVG: 97000 -29.4779 -25.9114 30.2508 -25.7086 11.4282 2.99405 27.0363 -0.512625 8.42407 TIMING: 97000 CPU: 289.132, 0.00298263/step Wall: 289.132, 0.00298263/step, 4.06218 hours remaining, 200.515625 MB of memory in use. ENERGY: 97000 750.7588 2057.0721 1946.4126 119.2167 -206908.8111 18204.4553 0.0000 0.0000 34134.5626 -149696.3330 298.1056 -183830.8956 -149604.1061 299.0047 261.2254 292.2092 554477.5188 -3.1954 -3.2085 PRESSURE: 97200 -28.5466 88.1234 -92.9792 88.1229 -75.6979 -105.117 -92.9794 -105.117 -197.061 GPRESSURE: 97200 -44.2305 30.0698 -112.498 134.904 -14.1773 -138.376 -153.665 -89.5684 -146.688 PRESSAVG: 97200 59.3721 13.9505 21.1749 13.9504 9.23375 19.4604 21.175 19.4603 -26.2157 GPRESSAVG: 97200 60.8858 13.2183 22.4276 15.8734 8.80299 18.7329 17.5339 20.0253 -27.2894 TIMING: 97200 CPU: 289.726, 0.00297227/step Wall: 289.726, 0.00297228/step, 4.04791 hours remaining, 200.515625 MB of memory in use. ENERGY: 97200 769.7802 2086.0248 1943.2347 113.5846 -206469.7612 17723.6663 0.0000 0.0000 34207.6665 -149625.8042 298.7441 -183833.4707 -149529.0430 298.4076 -100.4353 -68.3654 556037.6300 14.1300 14.1331 PRESSURE: 97400 41.061 9.46218 -0.875785 9.4615 82.9955 71.4466 -0.875095 71.446 134.81 GPRESSURE: 97400 100.721 -22.2431 49.907 -36.2303 43.5016 56.6818 30.9338 46.6252 203.238 PRESSAVG: 97400 26.9862 41.9957 -17.0513 41.9957 -6.65339 24.5202 -17.0513 24.5201 -12.2427 GPRESSAVG: 97400 26.0937 41.69 -18.1168 40.3118 -6.48068 23.2026 -15.9597 24.6776 -11.8039 TIMING: 97400 CPU: 290.32, 0.00297016/step Wall: 290.32, 0.00297016/step, 4.04486 hours remaining, 200.515625 MB of memory in use. ENERGY: 97400 774.0500 2102.0967 1927.0236 114.4257 -207007.0660 18204.9262 0.0000 0.0000 34119.4615 -149765.0823 297.9737 -183884.5438 -149669.5997 298.4798 86.2890 115.8204 557183.9833 2.6967 2.6030 PRESSURE: 97600 51.2174 84.5243 50.4659 84.5246 -42.3025 -9.96886 50.4651 -9.96827 -5.79796 GPRESSURE: 97600 46.9798 69.3474 60.7803 72.3028 -34.7886 100.102 40.3691 -23.505 87.4357 PRESSAVG: 97600 11.133 22.6097 21.7455 22.6097 -39.2862 28.7614 21.7455 28.7614 39.5269 GPRESSAVG: 97600 11.9584 23.8811 20.2588 23.5111 -40.2224 29.8096 22.2176 27.705 40.1183 TIMING: 97600 CPU: 290.917, 0.00298502/step Wall: 290.917, 0.00298502/step, 4.06494 hours remaining, 200.515625 MB of memory in use. ENERGY: 97600 759.2515 2067.9786 1940.3754 131.9225 -206347.1693 17857.3112 0.0000 0.0000 33975.8565 -149614.4736 296.7196 -183590.3301 -149523.3513 297.5474 1.0390 33.2090 556143.3586 3.7912 3.9514 PRESSURE: 97800 -206.255 -112.165 -22.6537 -112.165 -92.4619 89.1186 -22.6544 89.1184 39.7569 GPRESSURE: 97800 -197.858 -84.1975 -31.6614 -103.994 -68.5541 97.4266 -28.2505 111.229 84.0635 PRESSAVG: 97800 -31.0764 11.7991 32.7368 11.7991 25.5264 -70.6697 32.7368 -70.6697 40.5095 GPRESSAVG: 97800 -31.9262 13.5789 33.8211 10.3324 26.1513 -70.2831 31.4526 -70.1865 40.6317 TIMING: 97800 CPU: 291.511, 0.00296899/step Wall: 291.511, 0.00296899/step, 4.04294 hours remaining, 200.515625 MB of memory in use. ENERGY: 97800 732.8248 2068.5430 1957.6974 116.8874 -206301.5393 17693.5719 0.0000 0.0000 34225.7050 -149506.3097 298.9016 -183732.0147 -149410.7178 298.3502 -86.3200 -60.7829 557894.4078 11.6531 11.6189 PRESSURE: 98000 29.8395 -53.6035 126.51 -53.6037 -56.8149 -90.8201 126.508 -90.8191 -143.683 GPRESSURE: 98000 86.3165 -32.7681 160.126 -16.6872 -73.7407 -17.0902 75.87 -85.7407 -90.6507 PRESSAVG: 98000 -29.095 -52.027 33.9209 -52.027 -13.4278 -3.50462 33.9211 -3.50464 45.6619 GPRESSAVG: 98000 -29.3318 -54.5721 34.4555 -50.367 -13.6165 -3.97 33.7873 -0.476179 45.7788 TIMING: 98000 CPU: 292.108, 0.00298411/step Wall: 292.108, 0.00298411/step, 4.06336 hours remaining, 200.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 98000 739.3299 2077.0956 1932.8382 114.6756 -206051.3569 17573.6022 0.0000 0.0000 34380.8051 -149233.0103 300.2561 -183613.8154 -149137.3425 298.1993 -56.8861 -26.0249 556333.7778 1.0464 0.9435 PRESSURE: 98200 -53.6708 -31.8477 -44.6384 -31.8482 171.994 -17.3705 -44.6385 -17.3687 338.817 GPRESSURE: 98200 -18.7528 31.4147 -63.6286 -161.969 192.432 73.8223 -3.50301 -52.7029 370.975 PRESSAVG: 98200 12.9837 -43.9303 23.0434 -43.9303 36.5772 15.7579 23.0434 15.7579 -10.3905 GPRESSAVG: 98200 13.5206 -42.7097 23.0783 -43.2115 35.7331 16.4484 23.7655 11.6873 -9.89452 TIMING: 98200 CPU: 292.706, 0.002991/step Wall: 292.706, 0.002991/step, 4.07258 hours remaining, 200.515625 MB of memory in use. ENERGY: 98200 741.0533 2087.1450 1959.3195 127.0003 -206243.3879 17910.2862 0.0000 0.0000 34338.7849 -149079.7987 299.8891 -183418.5836 -148985.0352 299.4367 152.3799 181.5514 556014.9908 13.0568 13.1197 PRESSURE: 98400 -185.898 -110.945 -113.601 -110.946 -412.108 -63.1947 -113.602 -63.195 190.752 GPRESSURE: 98400 -137.295 -74.8692 -39.2366 -40.7382 -403.936 -72.1885 -111.111 -47.8558 224.221 PRESSAVG: 98400 -82.3608 44.2012 26.993 44.2013 51.5216 27.8775 26.993 27.8776 73.3304 GPRESSAVG: 98400 -81.1927 44.2767 26.4458 44.8718 52.1223 27.5439 26.4795 28.8241 71.6297 TIMING: 98400 CPU: 293.305, 0.00299472/step Wall: 293.305, 0.00299472/step, 4.07747 hours remaining, 200.515625 MB of memory in use. ENERGY: 98400 715.2559 2182.6323 1968.5145 115.2592 -205682.4652 17332.5568 0.0000 0.0000 34272.7682 -149095.4782 299.3126 -183368.2464 -149006.6579 299.1346 -135.7512 -105.6700 557887.6752 14.1637 14.1864 PRESSURE: 98600 -19.5755 -10.9773 102.304 -10.9776 116.736 -55.1866 102.304 -55.1882 -15.3934 GPRESSURE: 98600 3.56256 3.92172 102.136 -32.4587 148.119 -103.807 108.632 15.4917 23.1226 PRESSAVG: 98600 -75.0354 52.958 -2.72369 52.9582 -1.84966 1.8919 -2.72372 1.89181 76.498 GPRESSAVG: 98600 -75.7048 53.4551 -2.31298 50.9746 -1.48079 2.30424 -3.12771 3.94085 76.415 TIMING: 98600 CPU: 293.903, 0.00298917/step Wall: 293.903, 0.00298917/step, 4.06976 hours remaining, 200.515625 MB of memory in use. ENERGY: 98600 729.9577 2105.7333 1954.3342 119.9724 -206199.1667 17849.2413 0.0000 0.0000 34295.4791 -149144.4487 299.5109 -183439.9278 -149040.0637 299.5535 27.2556 58.2681 557109.7791 -0.1290 -0.2569 PRESSURE: 98800 -36.0434 -33.2596 154.281 -33.2597 -48.7673 56.1896 154.282 56.1893 -131.443 GPRESSURE: 98800 -87.1677 -97.0072 126.31 -20.532 10.7136 75.3507 175.57 124.518 -31.695 PRESSAVG: 98800 -63.5059 0.408785 8.00223 0.408812 37.375 44.3265 8.00233 44.3265 -22.1142 GPRESSAVG: 98800 -64.6561 -2.35615 9.36225 2.58556 36.9873 46.4262 8.35188 43.013 -20.7092 TIMING: 98800 CPU: 294.499, 0.00298243/step Wall: 294.499, 0.00298243/step, 4.06041 hours remaining, 200.515625 MB of memory in use. ENERGY: 98800 757.4141 2146.8243 1953.1516 108.5577 -206236.8268 17790.7241 0.0000 0.0000 34210.6239 -149269.5312 298.7699 -183480.1551 -149176.5584 299.4747 -72.0846 -36.0497 558319.3859 -16.0817 -16.1260 PRESSURE: 99000 40.5741 49.5152 28.8395 49.5147 33.9867 3.03838 28.8407 3.03909 -127.765 GPRESSURE: 99000 79.208 90.6053 -21.2969 -47.2138 117.436 28.4411 58.9149 51.0611 -153.563 PRESSAVG: 99000 -57.2524 15.5588 -30.9798 15.5588 58.6123 43.7783 -30.9798 43.7784 20.9742 GPRESSAVG: 99000 -56.4007 18.3159 -32.3047 12.8528 58.5051 42.1008 -30.8606 44.144 21.1949 TIMING: 99000 CPU: 295.093, 0.00297031/step Wall: 295.093, 0.00297031/step, 4.04375 hours remaining, 200.515625 MB of memory in use. ENERGY: 99000 758.2647 2110.3749 1970.9681 117.5842 -206366.5806 17958.4671 0.0000 0.0000 34111.1199 -149339.8017 297.9009 -183450.9217 -149246.0782 299.1004 -17.7348 14.3604 558728.9737 7.4447 7.7665 PRESSURE: 99200 5.87757 -117.14 -0.123826 -117.14 49.6185 -3.04814 -0.124189 -3.04626 -127.912 GPRESSURE: 99200 45.5347 -101.591 28.5039 -67.0885 102.379 -29.5402 -110.163 8.07021 -119.033 PRESSAVG: 99200 -40.5912 7.70556 35.0257 7.70564 -9.31742 -2.25556 35.0257 -2.25567 3.95522 GPRESSAVG: 99200 -40.9833 5.18282 37.1295 10.2969 -8.13963 -0.82965 33.9197 -3.2061 3.46269 TIMING: 99200 CPU: 295.688, 0.00297576/step Wall: 295.688, 0.00297576/step, 4.05101 hours remaining, 200.515625 MB of memory in use. ENERGY: 99200 768.4546 2152.5044 1955.2979 109.4594 -206809.5201 18094.6014 0.0000 0.0000 34299.7580 -149429.4444 299.5483 -183729.2024 -149333.0903 298.6586 -24.1388 9.6270 558032.3010 -15.3178 -15.2201 PRESSURE: 99400 127.697 29.9582 65.2283 29.9585 90.7005 56.8523 65.2285 56.853 292.884 GPRESSURE: 99400 88.8248 -54.4223 2.26658 -19.4869 167.613 114.198 62.859 52.5867 346.651 PRESSAVG: 99400 -51.1949 13.4753 52.6361 13.4753 32.5317 7.39031 52.636 7.39028 16.8698 GPRESSAVG: 99400 -49.934 15.4052 49.6821 10.2299 31.1007 6.66553 54.9454 7.29897 17.1018 TIMING: 99400 CPU: 296.291, 0.00301305/step Wall: 296.291, 0.00301305/step, 4.1016 hours remaining, 200.515625 MB of memory in use. ENERGY: 99400 731.5981 2144.8126 1967.3717 119.7190 -206937.5392 18215.2769 0.0000 0.0000 34271.1501 -149487.6108 299.2985 -183758.7610 -149393.2690 299.0442 170.4270 201.0295 555873.6563 -0.5978 -0.5771 PRESSURE: 99600 99.0101 6.10874 -36.8932 6.10893 307.81 17.4531 -36.8932 17.4541 236.321 GPRESSURE: 99600 144.5 39.9334 -57.2032 41.9074 327.66 79.2388 34.302 41.6989 259.5 PRESSAVG: 99600 -46.3299 60.9832 -29.4251 60.9832 21.3222 -37.8333 -29.4252 -37.8334 17.7001 GPRESSAVG: 99600 -47.6434 60.8936 -29.2307 64.1623 22.197 -38.6606 -29.5736 -36.969 17.8328 TIMING: 99600 CPU: 296.884, 0.00296572/step Wall: 296.884, 0.00296573/step, 4.03701 hours remaining, 200.515625 MB of memory in use. ENERGY: 99600 721.4344 2098.9599 1933.9740 111.5910 -206736.3750 18240.5632 0.0000 0.0000 34243.8537 -149385.9989 299.0601 -183629.8526 -149290.6928 299.0049 214.3803 243.8871 557278.3049 -2.4359 -2.5379 PRESSURE: 99800 -473.07 140.617 29.1386 140.617 -306.117 98.1246 29.1392 98.1253 -229.949 GPRESSURE: 99800 -464.878 101.2 2.77024 237.2 -179.193 63.4587 -20.6262 117.131 -275.288 PRESSAVG: 99800 -32.6585 13.9459 -5.32358 13.9459 42.6891 -13.2348 -5.32357 -13.2348 27.2878 GPRESSAVG: 99800 -32.1992 12.6887 -5.49526 15.3654 42.7776 -12.2201 -6.30425 -13.1891 26.3939 TIMING: 99800 CPU: 297.482, 0.0029884/step Wall: 297.482, 0.0029884/step, 4.06771 hours remaining, 200.515625 MB of memory in use. ENERGY: 99800 748.3007 2115.8353 1937.8555 101.3423 -206014.1504 17431.6610 0.0000 0.0000 34238.6720 -149440.4836 299.0148 -183679.1555 -149344.0547 298.5445 -336.3789 -306.4529 557524.8585 12.4394 12.3241 OPENING COORDINATE DCD FILE WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 100000 WRITING COORDINATES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART COORDINATES The last position output (seq=100000) takes 0.014 seconds, 202.832 MB of memory in use PRESSURE: 100000 -47.2563 -81.6302 17.5515 -81.6306 40.2392 130.818 17.552 130.817 -88.4596 GPRESSURE: 100000 -49.592 -28.5617 49.9684 -70.6526 108.405 209.896 24.7978 31.6647 -64.5458 PRESSAVG: 100000 -40.007 45.8787 1.9415 45.8786 45.1522 20.9895 1.94152 20.9894 18.7853 GPRESSAVG: 100000 -39.8986 46.5268 3.01156 46.1209 45.2322 20.9625 1.67927 20.6063 18.1064 TIMING: 100000 CPU: 298.091, 0.0030432/step Wall: 298.091, 0.0030432/step, 4.14214 hours remaining, 203.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 100000 745.2081 2129.7346 1965.3271 107.3802 -206376.6224 17821.6159 0.0000 0.0000 34123.3145 -149484.0420 298.0074 -183607.3564 -149394.7258 298.8451 -31.8256 -1.9111 556610.6571 7.9769 7.8133 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 100000 WRITING VELOCITIES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=100000) takes 0.003 seconds, 203.820 MB of memory in use PRESSURE: 100200 -146.279 74.3998 -38.8715 74.3998 7.47435 -101.315 -38.8711 -101.314 -25.1153 GPRESSURE: 100200 -115.734 -1.68067 -134.024 100.172 26.8756 -184.769 60.6306 -47.0474 8.30374 PRESSAVG: 100200 13.9818 -14.6648 -9.00132 -14.6649 -27.5128 -1.08988 -9.00136 -1.08989 37.9017 GPRESSAVG: 100200 13.3393 -15.5592 -8.56595 -13.101 -27.2766 -1.77414 -8.12707 -1.09093 38.1961 TIMING: 100200 CPU: 298.687, 0.00298276/step Wall: 298.687, 0.00298276/step, 4.0597 hours remaining, 203.824219 MB of memory in use. ENERGY: 100200 778.0470 2112.9175 1973.4476 108.9754 -206010.2136 17712.8663 0.0000 0.0000 34037.1383 -149286.8216 297.2548 -183323.9599 -149190.4994 298.8532 -54.6400 -26.8514 558707.1337 8.1235 8.0863 LDB: ============= START OF LOAD BALANCING ============== 302.234 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 302.234 LDB: =============== DONE WITH MIGRATION ================ 302.235 LDB: ============= START OF LOAD BALANCING ============== 302.535 LDB: Largest compute 4795 load 0.025751 is 21.8% of average load 0.118003 LDB: Average compute 0.001725 is 1.5% of average load 0.118003 LDB: TIME 302.537 LOAD: AVG 0.118003 MAX 0.209784 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.594 MB LDB: TIME 302.538 LOAD: AVG 0.118003 MAX 0.209784 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.848 MB LDB: TIME 302.538 LOAD: AVG 0.118003 MAX 0.209784 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.852 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 302.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 302.544 PRESSURE: 100400 149.083 178.712 -39.8663 178.712 169.469 113.779 -39.8661 113.779 -132.877 GPRESSURE: 100400 163.347 242.031 -80.4016 147.555 213.979 164.359 -66.238 58.1285 -100.427 PRESSAVG: 100400 21.5892 -47.5644 13.7667 -47.5644 7.81671 70.3831 13.7667 70.3832 -44.2392 GPRESSAVG: 100400 21.7799 -45.6833 13.1411 -51.8097 8.09276 68.6203 12.7839 71.4455 -44.6309 TIMING: 100400 CPU: 299.294, 0.00303258/step Wall: 299.294, 0.00303258/step, 4.12734 hours remaining, 204.082031 MB of memory in use. ENERGY: 100400 748.2170 2093.3024 1971.0520 112.6813 -206386.4904 17822.0156 0.0000 0.0000 34420.9275 -149218.2946 300.6065 -183639.2221 -149114.7335 298.8076 61.8917 92.2994 555948.8296 -4.9444 -4.9194 PRESSURE: 100600 -16.4445 134.081 -31.6064 134.08 -292.406 -13.816 -31.6065 -13.8159 -53.4699 GPRESSURE: 100600 16.649 173.084 -16.3837 68.1634 -216.658 -27.4652 -71.1202 72.9732 -60.363 PRESSAVG: 100600 61.6775 8.15252 -9.13653 8.15251 11.7417 7.5966 -9.13661 7.59672 -80.4189 GPRESSAVG: 100600 60.9345 6.36328 -9.40839 9.38874 11.7599 8.99027 -8.90049 7.38009 -79.4923 TIMING: 100600 CPU: 299.889, 0.00297663/step Wall: 299.889, 0.00297662/step, 4.05102 hours remaining, 204.082031 MB of memory in use. ENERGY: 100600 738.2188 2127.8842 1965.6782 126.1879 -205919.9092 17515.2617 0.0000 0.0000 34455.9625 -148990.7161 300.9125 -183446.6786 -148889.7803 299.9692 -120.7733 -86.7906 557911.2132 -2.3332 -2.2659 PRESSURE: 100800 83.2195 64.9469 -63.2695 64.948 -221.445 -44.5738 -63.2705 -44.5709 -307.519 GPRESSURE: 100800 61.552 20.1558 -124.867 164.056 -151.795 -27.3675 -78.818 26.3962 -251.839 PRESSAVG: 100800 34.9635 -17.0562 21.0563 -17.0561 9.22893 25.3065 21.0562 25.3066 -32.1863 GPRESSAVG: 100800 35.7825 -17.8015 21.0848 -16.4272 8.36795 24.3831 21.9767 25.5248 -32.1494 TIMING: 100800 CPU: 300.485, 0.00297904/step Wall: 300.485, 0.00297904/step, 4.05414 hours remaining, 204.082031 MB of memory in use. ENERGY: 100800 758.1959 2119.6976 1969.8519 114.9697 -205739.3091 17508.0889 0.0000 0.0000 34148.7955 -149119.7096 298.2299 -183268.5051 -149026.7767 299.4288 -148.5815 -114.0274 556910.2648 4.0020 4.0004 PRESSURE: 101000 150.777 59.6757 -19.4145 59.6764 -70.8349 60.6649 -19.4142 60.6667 -552.494 GPRESSURE: 101000 194.697 70.716 -13.2991 -54.7177 -117.496 43.6946 9.22573 86.6697 -452.195 PRESSAVG: 101000 9.81461 10.106 -70.5276 10.106 -5.66288 19.1824 -70.5276 19.1824 19.4541 GPRESSAVG: 101000 8.99092 9.9861 -71.9828 9.44601 -4.93488 19.8433 -70.9134 19.5239 19.6395 TIMING: 101000 CPU: 301.074, 0.00294595/step Wall: 301.074, 0.00294595/step, 4.00895 hours remaining, 204.082031 MB of memory in use. ENERGY: 101000 737.4764 2096.5522 1923.9451 98.4600 -206006.0256 17549.1371 0.0000 0.0000 34234.2967 -149366.1581 298.9766 -183600.4548 -149267.3083 299.2277 -157.5173 -124.9979 557790.2573 7.8686 7.8985 PRESSURE: 101200 41.7439 -47.4901 -278.137 -47.4897 -192.535 121.418 -278.137 121.417 73.7677 GPRESSURE: 101200 79.4412 -49.52 -181.994 -116.183 -95.1432 109.785 -321.991 152.307 57.4869 PRESSAVG: 101200 -13.6406 -26.6112 -4.39774 -26.6112 13.6637 27.2566 -4.39767 27.2565 53.1835 GPRESSAVG: 101200 -13.4263 -24.6767 -2.37042 -29.0662 15.3606 27.3944 -5.76259 26.3316 52.0146 TIMING: 101200 CPU: 301.669, 0.00297357/step Wall: 301.669, 0.00297357/step, 4.04637 hours remaining, 204.082031 MB of memory in use. ENERGY: 101200 775.8257 2075.6958 1929.8424 114.0488 -206065.2187 17757.1897 0.0000 0.0000 34179.0609 -149233.5554 298.4942 -183412.6163 -149138.6249 298.9089 -25.6745 13.9283 556421.0561 17.7355 17.9830 PRESSURE: 101400 -47.2856 -103.075 -100.483 -103.075 -165.962 20.6015 -100.483 20.6024 -124.922 GPRESSURE: 101400 18.2044 -74.0451 -171.832 -54.6561 -199.634 12.0392 -74.9509 -78.3667 -50.2351 PRESSAVG: 101400 -34.5636 4.92511 -0.00251779 4.92503 -31.3097 -24.1952 -0.00249679 -24.1951 31.0331 GPRESSAVG: 101400 -33.8389 3.8781 -2.0543 6.52039 -32.9574 -24.4003 2.28115 -23.335 32.1844 TIMING: 101400 CPU: 302.258, 0.002948/step Wall: 302.258, 0.002948/step, 4.01141 hours remaining, 204.082031 MB of memory in use. ENERGY: 101400 788.2515 2070.2530 1937.8664 110.0863 -206120.0874 17690.6971 0.0000 0.0000 34126.8242 -149396.1088 298.0380 -183522.9330 -149298.2728 298.7329 -112.7232 -77.2216 558049.4883 -11.6134 -11.5373 PRESSURE: 101600 58.7628 120.444 -70.0976 120.444 -170.699 177.005 -70.0966 177.005 37.1848 GPRESSURE: 101600 67.0638 169.043 -140.137 72.7853 -83.635 168.432 -8.06735 187.87 32.9167 PRESSAVG: 101600 4.83583 -23.4747 -18.8637 -23.4748 -79.1324 -20.6949 -18.8637 -20.6949 45.1805 GPRESSAVG: 101600 4.08376 -23.2474 -18.6951 -22.7153 -80.1363 -19.7532 -18.0481 -20.2376 46.9588 TIMING: 101600 CPU: 302.849, 0.00295292/step Wall: 302.849, 0.00295292/step, 4.01794 hours remaining, 204.082031 MB of memory in use. ENERGY: 101600 788.7100 2043.3229 1953.4362 112.7054 -206041.1007 17709.9148 0.0000 0.0000 34289.5410 -149143.4704 299.4591 -183433.0114 -149046.1833 299.2756 -24.9170 5.4485 556589.0810 -9.7053 -9.6979 PRESSURE: 101800 162.23 123.286 15.4382 123.285 -11.3331 71.715 15.4386 71.7166 139.47 GPRESSURE: 101800 196.505 205.804 76.7304 113.686 58.0974 116.849 56.2082 89.3511 141.97 PRESSAVG: 101800 -19.1873 49.1177 60.8015 49.1176 8.40453 4.63036 60.8015 4.63033 -0.540457 GPRESSAVG: 101800 -18.7615 48.4964 59.9163 51.623 9.08246 2.97876 57.031 4.12367 -1.661 TIMING: 101800 CPU: 303.441, 0.00296305/step Wall: 303.441, 0.00296305/step, 4.03155 hours remaining, 204.082031 MB of memory in use. ENERGY: 101800 717.3874 2103.1613 1940.0190 118.8604 -206103.0372 17807.2836 0.0000 0.0000 34275.5704 -149140.7551 299.3371 -183416.3255 -149056.2208 299.5267 96.7891 132.1910 556507.4666 -3.7744 -3.7800 PRESSURE: 102000 168.385 59.5992 36.7851 59.5989 -132.107 -26.604 36.7861 -26.6029 -165.814 GPRESSURE: 102000 215.3 18.7605 12.0394 97.8036 -94.9747 -71.878 -5.30169 -1.97166 -138.432 PRESSAVG: 102000 -3.76703 24.055 40.9112 24.055 -25.8185 -12.8197 40.9111 -12.8197 -20.9817 GPRESSAVG: 102000 -3.32373 25.3304 41.3309 22.8335 -26.4409 -11.4863 42.7461 -14.9952 -20.0904 TIMING: 102000 CPU: 304.034, 0.0029625/step Wall: 304.034, 0.0029625/step, 4.03064 hours remaining, 204.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 102000 735.3305 2124.6634 1946.6790 110.1612 -206137.3039 17697.9425 0.0000 0.0000 34554.5911 -148967.9362 301.7738 -183522.5273 -148866.3305 300.1373 -43.1786 -6.0356 557174.0903 -16.8558 -16.6183 PRESSURE: 102200 18.7558 125.758 -167.835 125.758 333.844 114.281 -167.835 114.28 -305.45 GPRESSURE: 102200 46.5512 110.805 -143.578 127.148 318.072 92.4506 -149.541 131.49 -213.452 PRESSAVG: 102200 -44.9565 64.0866 -36.6489 64.0865 7.04292 45.01 -36.6489 45.0101 -45.4697 GPRESSAVG: 102200 -46.1283 62.9759 -36.7226 64.0476 7.81618 45.2531 -36.7966 47.6537 -45.4121 TIMING: 102200 CPU: 304.633, 0.0029966/step Wall: 304.633, 0.0029966/step, 4.07688 hours remaining, 204.082031 MB of memory in use. ENERGY: 102200 713.7554 2107.3908 1921.4103 122.1689 -205691.3073 17630.2224 0.0000 0.0000 34292.7422 -148903.6172 299.4870 -183196.3594 -148802.9236 299.5188 15.7166 50.3902 557928.6458 -27.7944 -27.9081 PRESSURE: 102400 -85.6609 -58.3656 53.9853 -58.3651 173.371 249.666 53.9844 249.666 -26.0118 GPRESSURE: 102400 -12.8118 -34.2821 65.126 -90.0936 172.712 173.264 76.7038 214.723 1.04483 PRESSAVG: 102400 -47.2266 -9.70373 -10.5913 -9.70379 23.359 67.7863 -10.5912 67.7862 30.4188 GPRESSAVG: 102400 -46.216 -9.87273 -10.9357 -9.29784 23.5054 68.6396 -11.3783 66.015 29.8759 TIMING: 102400 CPU: 305.232, 0.00299521/step Wall: 305.232, 0.00299521/step, 4.07482 hours remaining, 204.082031 MB of memory in use. ENERGY: 102400 692.1677 2148.1111 1911.5221 107.6080 -205998.2990 17920.7923 0.0000 0.0000 34213.1216 -149004.9760 298.7917 -183218.0976 -148911.3193 300.0987 20.5662 53.6484 558474.2475 2.1837 2.3884 PRESSURE: 102600 -228.674 83.4635 113.138 83.4637 -252.392 -30.6905 113.137 -30.6897 71.7952 GPRESSURE: 102600 -181.971 133.522 141.939 64.4759 -176.612 -59.0402 122.738 -5.60421 37.6732 PRESSAVG: 102600 -25.4729 12.112 -33.6794 12.112 36.1625 34.6731 -33.6793 34.673 -24.0298 GPRESSAVG: 102600 -25.0669 13.3038 -33.5974 11.0577 36.8739 33.3865 -33.0963 35.3843 -25.337 TIMING: 102600 CPU: 305.833, 0.00300475/step Wall: 305.833, 0.00300475/step, 4.08763 hours remaining, 204.132812 MB of memory in use. ENERGY: 102600 729.4981 2116.3356 1926.0313 107.0877 -206125.1641 17610.5018 0.0000 0.0000 34442.3680 -149193.3416 300.7938 -183635.7096 -149095.8752 299.6236 -136.4235 -106.9703 557877.1747 -4.4467 -4.5100 PRESSURE: 102800 -117.718 -83.1947 -56.4062 -83.194 -274.437 5.04635 -56.4047 5.04424 14.1727 GPRESSURE: 102800 -107.552 -103.707 -54.9707 -131.755 -211.33 27.5489 -123.991 -24.9804 41.5463 PRESSAVG: 102800 -91.0984 16.4177 -24.8828 16.4177 -27.4587 -34.2817 -24.8828 -34.2818 90.4863 GPRESSAVG: 102800 -91.0071 14.1792 -24.1849 17.5785 -27.32 -32.665 -25.0515 -36.5717 89.9185 TIMING: 102800 CPU: 306.428, 0.00297426/step Wall: 306.428, 0.00297426/step, 4.04599 hours remaining, 204.132812 MB of memory in use. ENERGY: 102800 743.7876 2046.2703 1953.9577 112.9589 -206299.6953 17760.1859 0.0000 0.0000 34526.6276 -149155.9074 301.5296 -183682.5350 -149060.4589 300.0361 -125.9939 -92.4455 558623.1768 -9.3569 -9.4695 PRESSURE: 103000 84.8685 -126.872 -192.106 -126.873 -15.2991 -138.53 -192.106 -138.532 41.006 GPRESSURE: 103000 87.3544 -177.925 -232.673 -174.857 43.8306 -191.103 -109.823 -155.453 64.6411 PRESSAVG: 103000 -99.0694 -39.5219 -33.1448 -39.5219 -17.3502 -24.1135 -33.1448 -24.1136 98.0063 GPRESSAVG: 103000 -99.2529 -37.0728 -32.7452 -42.0676 -18.4075 -24.2765 -32.631 -23.6984 99.341 TIMING: 103000 CPU: 307.027, 0.00299643/step Wall: 307.027, 0.00299643/step, 4.07597 hours remaining, 204.132812 MB of memory in use. ENERGY: 103000 778.5084 2060.5131 1946.9641 115.9379 -206507.3952 18097.0911 0.0000 0.0000 34396.2536 -149112.1270 300.3910 -183508.3806 -149016.5558 300.2783 36.8584 65.2754 557424.5092 -6.1378 -6.1065 PRESSURE: 103200 -10.2606 -78.34 -15.7355 -78.3405 48.5873 60.5254 -15.7361 60.5254 18.6423 GPRESSURE: 103200 36.5701 -80.3293 -21.8683 -68.7179 104.95 79.6603 -20.6423 42.8611 22.1951 PRESSAVG: 103200 15.9584 -19.6484 10.5639 -19.6483 47.6707 10.8382 10.5639 10.8381 -13.4931 GPRESSAVG: 103200 16.1069 -21.2291 9.92024 -18.5475 47.5877 7.71767 10.0164 14.273 -13.1104 TIMING: 103200 CPU: 307.629, 0.00300664/step Wall: 307.629, 0.00300664/step, 4.0897 hours remaining, 204.132812 MB of memory in use. ENERGY: 103200 720.1089 2089.6257 1978.9731 117.3946 -205855.7426 17695.0647 0.0000 0.0000 34286.3684 -148968.2072 299.4314 -183254.5756 -148864.9062 300.1544 18.9896 54.5716 556097.9655 16.7120 16.8614 PRESSURE: 103400 -67.2596 -14.8429 48.2374 -14.8424 -206.11 -182.17 48.2371 -182.171 -61.1649 GPRESSURE: 103400 -55.5351 -6.94488 97.2205 -0.468195 -185.84 -124.072 108.517 -96.7025 11.833 PRESSAVG: 103400 -0.809329 32.2031 15.7991 32.2031 -14.1015 -8.402 15.799 -8.40195 -52.0375 GPRESSAVG: 103400 -1.09781 32.6779 16.937 33.1785 -14.1775 -5.04052 16.2354 -9.93285 -52.1307 TIMING: 103400 CPU: 308.232, 0.00301658/step Wall: 308.232, 0.00301658/step, 4.10306 hours remaining, 204.132812 MB of memory in use. ENERGY: 103400 771.7255 2104.8537 1961.8118 129.1154 -205884.8856 17573.1653 0.0000 0.0000 34510.2560 -148833.9578 301.3866 -183344.2138 -148731.4694 300.1615 -111.5115 -76.5140 556097.5875 -22.3161 -22.4687 PRESSURE: 103600 77.4238 171.887 -26.5526 171.887 57.536 -161.844 -26.553 -161.845 -103.114 GPRESSURE: 103600 105.848 265.092 -2.17247 -6.54758 83.7404 -131.235 -64.2102 -117.938 -53.8242 PRESSAVG: 103600 82.9451 27.7819 7.95638 27.7818 -56.8417 -2.6675 7.95645 -2.66743 22.2389 GPRESSAVG: 103600 83.0103 27.2725 8.30434 25.1948 -57.6288 -3.82987 6.61108 -1.93071 22.7031 TIMING: 103600 CPU: 308.834, 0.00300754/step Wall: 308.834, 0.00300754/step, 4.09059 hours remaining, 204.132812 MB of memory in use. ENERGY: 103600 710.5507 2092.5609 1923.6895 116.4851 -205999.8463 17720.9886 0.0000 0.0000 34589.6566 -148845.9150 302.0801 -183435.5715 -148745.9048 301.3552 10.6151 45.2548 558471.3513 16.1141 16.0282 PRESSURE: 103800 27.7278 -65.5808 47.1054 -65.5798 61.9296 -22.7595 47.1055 -22.7584 74.9609 GPRESSURE: 103800 98.0256 -57.6191 142.134 -82.672 43.9099 -34.7114 -9.37502 -21.3464 124.972 PRESSAVG: 103800 19.4634 9.76088 4.4757 9.76084 -29.912 13.5229 4.47569 13.5228 -21.3611 GPRESSAVG: 103800 19.1794 8.61369 2.45588 11.4238 -29.7633 12.0245 6.4795 13.4971 -21.9625 TIMING: 103800 CPU: 309.43, 0.0029825/step Wall: 309.43, 0.0029825/step, 4.05637 hours remaining, 204.132812 MB of memory in use. ENERGY: 103800 752.4051 2094.2911 1938.9861 114.7690 -205759.8787 17784.7164 0.0000 0.0000 34333.1508 -148741.5603 299.8399 -183074.7111 -148641.1555 301.3123 54.8728 88.9693 556750.7338 -10.6032 -10.8488 PRESSURE: 104000 55.448 150.447 144.646 150.448 73.9398 59.2922 144.646 59.2925 42.3065 GPRESSURE: 104000 104.051 61.2306 146.719 107.032 84.3831 46.6281 67.0648 105.606 84.3406 PRESSAVG: 104000 22.6268 43.4363 -27.2827 43.4364 15.6245 56.0053 -27.2828 56.0053 56.6339 GPRESSAVG: 104000 22.3971 44.8788 -27.4555 42.1676 15.1945 56.6047 -28.0945 54.6391 56.8339 TIMING: 104000 CPU: 310.027, 0.00298652/step Wall: 310.027, 0.00298652/step, 4.06167 hours remaining, 204.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 104000 781.7188 2110.3555 1951.7174 115.8605 -205820.1845 17813.2026 0.0000 0.0000 34293.0030 -148754.3267 299.4893 -183047.3297 -148659.7415 300.9292 57.2314 90.9249 556103.6047 31.6284 31.4752 PRESSURE: 104200 9.14968 -17.3827 27.6228 -17.383 -40.3075 39.4532 27.6233 39.4527 182.812 GPRESSURE: 104200 29.2675 -51.4111 11.0201 47.4372 -34.7462 80.2063 70.9986 47.1643 261.842 PRESSAVG: 104200 -6.23353 40.741 2.182 40.741 -13.1704 11.4821 2.18187 11.482 29.9629 GPRESSAVG: 104200 -6.17758 40.2115 2.8015 41.4198 -14.3564 12.0106 1.32802 10.7259 30.6814 TIMING: 104200 CPU: 310.627, 0.0029986/step Wall: 310.627, 0.0029986/step, 4.07792 hours remaining, 204.132812 MB of memory in use. ENERGY: 104200 753.6664 2076.4216 1936.5716 101.1660 -206169.0771 17794.7654 0.0000 0.0000 34602.4219 -148904.0643 302.1916 -183506.4862 -148808.2955 300.6590 50.5512 85.4546 556688.1869 3.5197 3.3825 LDB: ============= START OF LOAD BALANCING ============== 314.178 LDB: ============== END OF LOAD BALANCING =============== 314.178 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 314.179 LDB: ============= START OF LOAD BALANCING ============== 314.478 LDB: Largest compute 4795 load 0.027640 is 23.4% of average load 0.117937 LDB: Average compute 0.001725 is 1.5% of average load 0.117937 LDB: TIME 314.48 LOAD: AVG 0.117937 MAX 0.208694 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.617 MB LDB: TIME 314.48 LOAD: AVG 0.117937 MAX 0.208694 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.668 MB LDB: TIME 314.481 LOAD: AVG 0.117937 MAX 0.208694 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.668 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 314.482 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 314.486 PRESSURE: 104400 11.5737 12.7923 64.9244 12.7929 216.402 -6.07829 64.9242 -6.0783 -12.4487 GPRESSURE: 104400 27.9904 79.3417 148.927 19.6686 201.054 10.4399 -21.1052 -55.0221 86.0357 PRESSAVG: 104400 -9.73527 45.8894 -0.223404 45.8893 20.6075 30.237 -0.223364 30.237 20.9471 GPRESSAVG: 104400 -10.9871 47.6399 -1.68104 45.5629 22.0166 30.8382 0.757149 31.4549 20.4989 TIMING: 104400 CPU: 311.237, 0.00304728/step Wall: 311.237, 0.00304728/step, 4.14397 hours remaining, 204.351562 MB of memory in use. ENERGY: 104400 713.5036 2099.3854 1914.5056 118.5829 -205868.0626 17660.0854 0.0000 0.0000 34486.5693 -148875.4303 301.1798 -183361.9996 -148785.1883 300.3556 71.8422 105.0267 557278.2856 10.6064 10.5094 PRESSURE: 104600 -29.4391 100.73 127.855 100.731 102.005 29.4346 127.854 29.4354 -29.0853 GPRESSURE: 104600 27.6112 152.415 63.7416 66.7279 134.056 112.858 93.5379 -14.8484 -19.8518 PRESSAVG: 104600 -46.6798 -2.06017 -36.3541 -2.0602 8.99167 -2.28911 -36.3541 -2.28915 -36.966 GPRESSAVG: 104600 -45.5488 -1.89776 -33.2002 -2.46692 9.16927 -3.30094 -39.0296 -2.31933 -38.5309 TIMING: 104600 CPU: 311.832, 0.00297781/step Wall: 311.832, 0.00297781/step, 4.04933 hours remaining, 204.593750 MB of memory in use. ENERGY: 104600 720.4701 2079.0102 1929.1866 129.6039 -205540.6681 17591.6836 0.0000 0.0000 34179.0858 -148911.6277 298.4945 -183090.7135 -148817.4091 300.1192 14.4934 47.2720 557054.0891 -24.8847 -24.9701 PRESSURE: 104800 -126.076 -6.89672 -4.62338 -6.89655 -112.191 -118.507 -4.62417 -118.506 43.8507 GPRESSURE: 104800 -101.806 4.67437 -27.9111 -55.3943 -119.322 -145.513 26.4943 -115.476 126.58 PRESSAVG: 104800 34.62 -13.5501 -2.66469 -13.5501 3.04863 21.6961 -2.66456 21.6962 -40.1297 GPRESSAVG: 104800 33.7694 -13.8887 -3.57978 -13.2602 2.67347 21.5272 -2.33518 22.5367 -39.275 TIMING: 104800 CPU: 312.428, 0.0029795/step Wall: 312.428, 0.0029795/step, 4.05146 hours remaining, 204.593750 MB of memory in use. ENERGY: 104800 747.2435 2113.8189 1954.1801 126.6878 -205877.0517 17680.5654 0.0000 0.0000 34141.6991 -149112.8569 298.1680 -183254.5560 -149011.1804 299.9879 -64.8055 -31.5162 557371.9726 -0.8204 -0.9440 PRESSURE: 105000 82.9977 -32.1087 -11.8033 -32.1079 -285.133 -5.83423 -11.8029 -5.83528 -155.838 GPRESSURE: 105000 160.263 63.8876 67.1109 -50.6505 -275.779 -29.3075 -43.3339 11.588 -159.722 PRESSAVG: 105000 18.897 -0.113123 27.9385 -0.112988 -48.1459 19.9243 27.9386 19.9243 19.7408 GPRESSAVG: 105000 19.5039 1.01481 25.6474 -0.808879 -48.9524 21.3129 30.4683 20.336 19.5674 TIMING: 105000 CPU: 313.027, 0.0029939/step Wall: 313.027, 0.0029939/step, 4.07087 hours remaining, 204.593750 MB of memory in use. ENERGY: 105000 733.3751 2070.2876 1926.3982 114.0839 -205523.3290 17533.7324 0.0000 0.0000 34160.8830 -148984.5688 298.3355 -183145.4519 -148885.2049 299.6778 -119.3242 -91.7462 556693.6953 -3.1694 -3.2937 PRESSURE: 105200 -154.738 -13.8296 -184.326 -13.8295 -24.7082 -88.0324 -184.326 -88.0332 4.9804 GPRESSURE: 105200 -118.635 -47.1379 -73.1517 -12.326 1.88311 -96.851 -198.036 -170.806 48.0534 PRESSAVG: 105200 -78.0278 8.49839 -72.1584 8.49838 -7.56349 30.6452 -72.1584 30.6453 90.8656 GPRESSAVG: 105200 -78.0429 6.78783 -70.6041 9.14206 -6.91319 28.6949 -73.033 29.1539 90.2844 TIMING: 105200 CPU: 313.627, 0.00299988/step Wall: 313.627, 0.00299988/step, 4.07883 hours remaining, 204.593750 MB of memory in use. ENERGY: 105200 720.0173 2072.1646 1915.0269 115.7080 -205650.8929 17610.2077 0.0000 0.0000 34133.5786 -149084.1898 298.0970 -183217.7684 -148991.3834 299.9093 -58.1552 -22.8994 558602.0703 1.7581 1.7761 PRESSURE: 105400 -27.4848 -26.2496 -289.598 -26.2499 -21.8268 -191.426 -289.599 -191.428 -448.905 GPRESSURE: 105400 9.88087 9.82831 -264.215 -28.4804 -2.45204 -128.457 -265.619 -186.097 -413.446 PRESSAVG: 105400 -58.9651 29.6748 -15.4005 29.675 -0.0290589 17.9345 -15.4004 17.9345 50.0556 GPRESSAVG: 105400 -58.9149 31.3384 -17.4584 29.4994 0.255085 17.3019 -12.9633 18.7543 49.1023 TIMING: 105400 CPU: 314.224, 0.00298813/step Wall: 314.224, 0.00298813/step, 4.0627 hours remaining, 204.593750 MB of memory in use. ENERGY: 105400 751.6027 2109.9242 1953.5970 103.9030 -205910.4187 17514.1518 0.0000 0.0000 34282.6562 -149194.5838 299.3990 -183477.2400 -149107.9228 298.9456 -166.0722 -135.3390 557912.1367 -2.9795 -3.1858 PRESSURE: 105600 64.4622 -78.0197 -62.0158 -78.0197 224.813 -101.252 -62.0156 -101.25 69.5497 GPRESSURE: 105600 84.5702 -52.0507 -68.193 -148.424 224.143 -72.0371 -52.9278 -99.3727 145.205 PRESSAVG: 105600 -6.6642 -26.1393 -5.81908 -26.1394 3.65525 -5.95189 -5.81916 -5.95189 9.83449 GPRESSAVG: 105600 -8.25839 -27.5228 -5.8978 -26.5092 3.0359 -5.15664 -5.24032 -5.6982 11.6881 TIMING: 105600 CPU: 314.818, 0.00296972/step Wall: 314.818, 0.00296972/step, 4.03749 hours remaining, 204.593750 MB of memory in use. ENERGY: 105600 741.5284 2142.9748 1923.9528 108.1969 -206242.1740 17849.7524 0.0000 0.0000 34269.8032 -149205.9654 299.2867 -183475.7686 -149118.9737 299.4866 119.6082 151.3061 556600.6936 2.2752 2.1552 PRESSURE: 105800 -344.063 -94.8611 101.357 -94.8613 -56.2365 61.735 101.356 61.7346 -156.58 GPRESSURE: 105800 -267.985 -104.879 72.1135 -60.9309 -68.3567 37.745 144.649 99.2079 -105.524 PRESSAVG: 105800 15.0824 -46.0438 15.8982 -46.0438 -0.0336055 -9.46138 15.8982 -9.46139 -3.5938 GPRESSAVG: 105800 16.1641 -45.0072 17.5115 -45.9979 0.555709 -10.3072 12.8425 -9.89478 -5.65778 TIMING: 105800 CPU: 315.416, 0.0029901/step Wall: 315.416, 0.0029901/step, 4.06504 hours remaining, 204.710938 MB of memory in use. ENERGY: 105800 721.6763 2112.6942 1942.1720 119.3902 -206025.6558 17576.4208 0.0000 0.0000 34237.0678 -149316.2344 299.0008 -183553.3022 -149221.9785 299.0651 -185.6265 -147.2885 557388.2214 3.8183 3.6873 PRESSURE: 106000 -17.7503 159.605 -139.587 159.605 -8.9629 30.0258 -139.587 30.026 -249.342 GPRESSURE: 106000 -32.5762 165.993 -150.326 115.119 23.6955 89.2093 -145.777 15.9827 -169.215 PRESSAVG: 106000 -11.7148 12.0418 23.8871 12.0418 16.2848 15.7816 23.8871 15.7815 -0.487456 GPRESSAVG: 106000 -12.2298 11.9947 25.2763 9.77729 15.538 17.7728 25.3993 14.1068 1.09158 TIMING: 106000 CPU: 316.015, 0.00299244/step Wall: 316.015, 0.00299244/step, 4.06805 hours remaining, 204.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 106000 715.4629 2078.3331 1940.3767 112.3587 -205894.6642 17676.5039 0.0000 0.0000 34095.6284 -149276.0004 297.7656 -183371.6288 -149170.6218 298.5947 -92.0183 -59.3652 556986.0542 1.3609 1.4666 PRESSURE: 106200 105.219 141.891 -4.29221 141.89 -142.656 88.7157 -4.29179 88.7148 -336.325 GPRESSURE: 106200 69.2692 227.63 -3.23793 116.551 -96.4854 58.9761 -31.7308 10.1153 -251.411 PRESSAVG: 106200 -9.50088 47.2039 -18.5661 47.2039 45.8264 -15.0062 -18.5661 -15.0062 -28.9405 GPRESSAVG: 106200 -9.32405 44.7144 -20.7796 51.1653 46.4346 -17.0097 -18.8134 -14.241 -29.615 TIMING: 106200 CPU: 316.614, 0.00299484/step Wall: 316.614, 0.00299484/step, 4.07116 hours remaining, 204.710938 MB of memory in use. ENERGY: 106200 741.7847 2037.1840 1950.4477 111.4084 -205676.9851 17620.7040 0.0000 0.0000 34185.8886 -149029.5676 298.5539 -183215.4562 -148929.3498 299.3462 -124.5874 -92.8757 558802.3436 2.4617 2.4985 PRESSURE: 106400 -164.312 35.344 -153.397 35.3429 -29.0996 -140.412 -153.396 -140.411 -79.2552 GPRESSURE: 106400 -155.767 69.0852 -132.785 -35.4207 -6.81388 -107.732 -119.819 -145.295 -17.1539 PRESSAVG: 106400 9.76259 1.47577 -2.78794 1.47579 -10.0007 -4.79662 -2.7879 -4.79651 -23.5669 GPRESSAVG: 106400 9.66791 4.7074 -2.16583 -1.10782 -9.61103 -3.62478 -3.99151 -6.68628 -23.957 TIMING: 106400 CPU: 317.215, 0.00300477/step Wall: 317.215, 0.00300477/step, 4.08449 hours remaining, 204.710938 MB of memory in use. ENERGY: 106400 723.5748 2084.9063 1961.6490 110.7406 -205581.8028 17465.7105 0.0000 0.0000 34134.7324 -149100.4892 298.1071 -183235.2216 -149006.3465 299.3737 -90.8888 -59.9116 556955.4413 -7.9350 -7.9667 PRESSURE: 106600 -123.689 88.2727 -44.8983 88.2722 -212.077 66.6265 -44.8982 66.6254 94.0628 GPRESSURE: 106600 -31.1396 123.268 -27.271 122.588 -121.388 101.527 -53.301 83.4339 22.0578 PRESSAVG: 106600 -28.6853 -1.72853 -19.2549 -1.72849 3.8157 -12.2499 -19.255 -12.2499 34.7835 GPRESSAVG: 106600 -28.3634 -3.31343 -19.1933 -1.01695 3.63439 -11.7933 -18.352 -10.6853 35.0599 TIMING: 106600 CPU: 317.817, 0.0030101/step Wall: 317.817, 0.0030101/step, 4.09156 hours remaining, 204.710938 MB of memory in use. ENERGY: 106600 765.3014 2103.6783 1969.7517 121.9193 -205797.2962 17470.1310 0.0000 0.0000 34375.7186 -148990.7959 300.2117 -183366.5145 -148893.6588 299.2355 -80.5677 -43.4901 556256.3881 3.3047 3.4436 PRESSURE: 106800 -281.952 -32.7233 -70.8559 -32.7234 80.2641 -155.824 -70.8554 -155.825 -100.631 GPRESSURE: 106800 -239.66 4.51482 -106.748 -76.9088 166.05 -181.37 -10.2516 -182.687 -131.451 PRESSAVG: 106800 -7.56102 21.9436 9.49532 21.9435 19.0577 -31.738 9.49521 -31.738 -21.691 GPRESSAVG: 106800 -8.45412 21.5817 9.35436 22.2413 20.0511 -31.4332 8.51556 -31.0822 -22.1302 TIMING: 106800 CPU: 318.421, 0.00302041/step Wall: 318.421, 0.00302041/step, 4.10541 hours remaining, 204.710938 MB of memory in use. ENERGY: 106800 703.2207 2116.9055 1954.2922 122.7529 -205725.6773 17594.2445 0.0000 0.0000 34272.3628 -148961.8987 299.3091 -183234.2615 -148862.8200 299.5465 -100.7727 -68.3537 558492.0169 -3.3981 -3.5111 PRESSURE: 107000 80.0342 -52.7211 -80.1743 -52.7214 -486.213 144.252 -80.1744 144.251 -94.4412 GPRESSURE: 107000 89.6319 -82.5095 -94.8546 22.7666 -442.653 147.444 -138.81 113.817 -63.7855 PRESSAVG: 107000 -2.00359 -52.9914 -25.6113 -52.9915 11.1913 22.2959 -25.6113 22.2959 10.7549 GPRESSAVG: 107000 -1.0178 -52.1608 -26.4778 -54.3144 10.0143 21.9256 -24.2613 21.4547 10.9145 TIMING: 107000 CPU: 319.026, 0.0030277/step Wall: 319.026, 0.0030277/step, 4.11515 hours remaining, 204.710938 MB of memory in use. ENERGY: 107000 760.8551 2096.7848 1948.7853 107.0854 -205930.7616 17536.0569 0.0000 0.0000 34450.6204 -149030.5737 300.8658 -183481.1941 -148935.8379 300.3256 -166.8733 -138.9354 557542.6416 6.6475 6.6370 PRESSURE: 107200 17.0934 43.716 -211.303 43.7155 -196.169 -15.6514 -211.303 -15.6531 -242.019 GPRESSURE: 107200 -3.6505 -13.5485 -189.773 78.7681 -126.038 -41.4846 -160.585 44.4183 -185.199 PRESSAVG: 107200 13.473 25.5353 -41.2043 25.5352 -51.7803 -7.4661 -41.2043 -7.46609 61.7088 GPRESSAVG: 107200 12.0301 24.1692 -38.1357 26.188 -50.3562 -8.91764 -42.5138 -5.79415 61.7939 TIMING: 107200 CPU: 319.622, 0.00297761/step Wall: 319.622, 0.00297761/step, 4.0469 hours remaining, 204.710938 MB of memory in use. ENERGY: 107200 733.2635 2165.9821 1941.1659 108.8797 -205275.3353 17277.7723 0.0000 0.0000 34217.8221 -148830.4497 298.8328 -183048.2718 -148732.3848 300.7866 -140.3650 -104.9625 557299.3467 7.8005 7.8226 PRESSURE: 107400 -98.6579 178.367 -13.8392 178.367 200.683 -78.1381 -13.839 -78.1394 290.613 GPRESSURE: 107400 -49.4445 211.557 -45.4026 167.183 247.239 -64.602 -74.4977 -48.223 281.43 PRESSAVG: 107400 -45.3073 -25.6495 -3.1421 -25.6495 17.2544 -23.8935 -3.14207 -23.8935 31.0963 GPRESSAVG: 107400 -44.0919 -24.9986 -5.40552 -25.1759 16.5615 -23.8591 -2.54609 -23.4337 30.4786 TIMING: 107400 CPU: 320.222, 0.0030018/step Wall: 320.222, 0.0030018/step, 4.07961 hours remaining, 204.710938 MB of memory in use. ENERGY: 107400 776.8287 2103.2792 1956.1380 104.4252 -206320.4951 18004.0411 0.0000 0.0000 34445.5953 -148930.1877 300.8220 -183375.7830 -148836.5242 300.1972 130.8795 159.7415 556524.4007 1.0144 0.9827 PRESSURE: 107600 -129.921 -64.2217 100.764 -64.2213 -11.894 37.5022 100.764 37.5029 164.228 GPRESSURE: 107600 -159.319 -36.7917 144.678 -20.2301 69.0948 180.905 83.901 -22.33 205.444 PRESSAVG: 107600 -63.9359 12.6883 46.0215 12.6884 -4.15815 -15.4178 46.0215 -15.4179 42.1821 GPRESSAVG: 107600 -64.3499 12.5136 45.4818 11.2812 -3.09174 -15.658 47.2708 -17.3931 41.6391 TIMING: 107600 CPU: 320.816, 0.00296647/step Wall: 320.816, 0.00296647/step, 4.03144 hours remaining, 204.742188 MB of memory in use. ENERGY: 107600 731.5661 2091.0527 1943.1107 121.6494 -205956.8436 17743.0740 0.0000 0.0000 34471.3042 -148855.0864 301.0465 -183326.3907 -148759.9280 300.6713 7.4708 38.4064 556253.3641 -8.6373 -8.6008 PRESSURE: 107800 156.318 -9.86019 79.1139 -9.85912 123.133 35.0494 79.1135 35.0484 -172.874 GPRESSURE: 107800 172.479 35.4246 -26.6865 68.9047 129.83 61.8566 173.831 -54.9609 -83.5713 PRESSAVG: 107800 -4.03327 -12.8098 41.1205 -12.8097 68.1701 25.2686 41.1205 25.2686 6.18963 GPRESSAVG: 107800 -4.36792 -12.8868 41.1216 -11.2549 67.5403 25.8364 39.5926 28.2172 7.29696 TIMING: 107800 CPU: 321.412, 0.0029838/step Wall: 321.412, 0.0029838/step, 4.05482 hours remaining, 204.742188 MB of memory in use. ENERGY: 107800 730.4697 2063.5940 1941.3653 107.4926 -206129.0162 17673.1900 0.0000 0.0000 34328.6108 -149284.2938 299.8003 -183612.9045 -149192.7674 300.1643 35.5256 72.9125 557391.9643 23.4422 23.4898 PRESSURE: 108000 -98.2328 9.50245 -93.2383 9.50332 37.2655 157.743 -93.2375 157.744 16.8016 GPRESSURE: 108000 -73.3893 28.6968 -50.4106 -65.0964 43.8659 130.998 -73.2341 65.4373 79.767 PRESSAVG: 108000 -81.7404 48.3797 -9.39701 48.3798 54.3605 -1.67506 -9.397 -1.67501 22.7865 GPRESSAVG: 108000 -80.2569 50.8357 -9.07946 45.9505 53.6571 -2.5544 -9.98081 -4.50453 21.8347 TIMING: 108000 CPU: 322.01, 0.0029894/step Wall: 322.01, 0.0029894/step, 4.06226 hours remaining, 204.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 108000 706.8670 2030.5258 1921.9091 113.5597 -206188.2340 17714.7843 0.0000 0.0000 34332.5131 -149368.0750 299.8344 -183700.5881 -149264.3138 298.8952 -14.7219 16.7478 557027.7960 -1.5311 -1.5884 PRESSURE: 108200 0.92418 116.167 -44.3616 116.168 -51.0621 131.607 -44.3625 131.608 -56.8103 GPRESSURE: 108200 4.41239 81.3882 -33.8389 89.2918 -7.60462 -0.223267 -52.3438 149.293 -7.80937 PRESSAVG: 108200 40.9543 46.7349 0.181918 46.7351 -23.1544 -17.6375 0.181856 -17.6374 -30.8536 GPRESSAVG: 108200 39.498 44.5452 0.729935 46.5414 -22.3793 -19.1963 1.70568 -16.6213 -30.0777 TIMING: 108200 CPU: 322.608, 0.00298886/step Wall: 322.608, 0.00298886/step, 4.06137 hours remaining, 204.742188 MB of memory in use. ENERGY: 108200 782.6364 2060.5281 1944.5236 107.1944 -206339.8201 17885.2733 0.0000 0.0000 34162.9410 -149396.7233 298.3535 -183559.6643 -149301.1916 298.7383 -35.6494 -3.6672 557825.7797 -4.3512 -4.3197 LDB: ============= START OF LOAD BALANCING ============== 326.156 LDB: ============== END OF LOAD BALANCING =============== 326.156 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 326.158 LDB: ============= START OF LOAD BALANCING ============== 326.457 LDB: Largest compute 4773 load 0.027975 is 23.7% of average load 0.117968 LDB: Average compute 0.001738 is 1.5% of average load 0.117968 LDB: TIME 326.459 LOAD: AVG 0.117968 MAX 0.207392 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.375 MB LDB: TIME 326.46 LOAD: AVG 0.117968 MAX 0.207392 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.617 MB LDB: TIME 326.46 LOAD: AVG 0.117968 MAX 0.207392 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.617 MB LDB: ============== END OF LOAD BALANCING =============== 326.461 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 326.465 PRESSURE: 108400 -203.114 60.3382 162.041 60.338 -282.974 73.3894 162.041 73.3893 -461.192 GPRESSURE: 108400 -187.89 78.5733 124.432 87.9964 -215.441 82.7996 148.103 28.7825 -461.886 PRESSAVG: 108400 -14.064 24.573 30.1063 24.5732 17.367 2.93319 30.1064 2.9331 33.2667 GPRESSAVG: 108400 -13.5515 22.9391 30.2416 26.4989 17.8402 3.82592 28.6162 2.90784 32.472 TIMING: 108400 CPU: 323.216, 0.00303794/step Wall: 323.216, 0.00303794/step, 4.12789 hours remaining, 205.398438 MB of memory in use. ENERGY: 108400 791.4206 2080.4468 1945.7356 112.1028 -205746.4041 17363.6889 0.0000 0.0000 34125.8607 -149327.1486 298.0296 -183453.0093 -149227.9492 298.1163 -315.7601 -288.4057 559032.2375 12.1899 12.2536 PRESSURE: 108600 -138.968 56.7848 88.3543 56.7852 46.4335 157.263 88.3549 157.263 -32.9445 GPRESSURE: 108600 -71.848 79.9244 90.2166 53.3594 101.409 113.64 50.4112 105.647 -48.7006 PRESSAVG: 108600 41.2041 -4.43775 31.7193 -4.43764 -38.2608 16.223 31.7193 16.223 -3.0817 GPRESSAVG: 108600 40.3064 -2.69701 30.8723 -6.01778 -37.728 16.8619 32.4993 14.733 -2.90708 TIMING: 108600 CPU: 323.812, 0.00297975/step Wall: 323.812, 0.00297975/step, 4.04865 hours remaining, 205.398438 MB of memory in use. ENERGY: 108600 755.6557 2054.6426 1964.2106 113.8717 -205985.6364 17737.8628 0.0000 0.0000 34217.5448 -149141.8483 298.8303 -183359.3931 -149051.0128 298.7907 -41.8265 -6.3799 558426.2914 -0.0461 -0.1096 PRESSURE: 108800 -162.926 -168.854 84.8941 -168.853 206.237 47.4979 84.8946 47.4987 61.4719 GPRESSURE: 108800 -87.9829 -166.697 75.1097 -204.935 204.385 67.5304 127.721 44.7387 79.5492 PRESSAVG: 108800 -105.017 -64.0315 30.0788 -64.0315 40.455 3.21587 30.0789 3.21594 27.0364 GPRESSAVG: 108800 -104.128 -65.3706 28.8432 -63.134 39.462 1.89507 32.2977 5.10732 26.7892 TIMING: 108800 CPU: 324.408, 0.00298133/step Wall: 324.408, 0.00298133/step, 4.05064 hours remaining, 205.398438 MB of memory in use. ENERGY: 108800 733.6740 2113.4724 1922.1640 118.3580 -206319.5127 17818.2012 0.0000 0.0000 34451.5106 -149162.1325 300.8736 -183613.6431 -149062.0741 299.8335 34.9275 65.3172 556804.8695 -12.5084 -12.6257 PRESSURE: 109000 55.8388 -104.375 -24.2124 -104.375 75.9993 -267.698 -24.2116 -267.698 -64.9731 GPRESSURE: 109000 10.4918 -148.662 -64.9921 -86.4763 151.829 -285.142 67.812 -201.6 -2.9087 PRESSAVG: 109000 -49.9872 -27.8842 15.6555 -27.8842 115.388 -13.3234 15.6555 -13.3234 -15.0084 GPRESSAVG: 109000 -49.7308 -28.1454 17.261 -26.6901 114.342 -14.1599 17.166 -13.4077 -14.8928 TIMING: 109000 CPU: 325.005, 0.00298399/step Wall: 325.005, 0.00298399/step, 4.05408 hours remaining, 205.398438 MB of memory in use. ENERGY: 109000 776.3925 2082.5364 1945.0330 114.3530 -206321.6004 17919.2063 0.0000 0.0000 34258.6268 -149225.4524 299.1891 -183484.0792 -149130.3774 299.0626 22.2883 53.1375 557099.4392 16.7975 16.5728 PRESSURE: 109200 157.656 189.609 154.804 189.609 323.53 149.044 154.804 149.043 -111.886 GPRESSURE: 109200 174.089 130.808 167.329 190.759 283.652 215.841 207.625 116.803 20.4343 PRESSAVG: 109200 -21.0688 27.0372 56.297 27.0371 -6.93622 -33.7776 56.297 -33.7775 30.2019 GPRESSAVG: 109200 -21.2659 27.8262 58.2954 25.2583 -6.20018 -30.1838 53.4733 -33.6505 30.142 TIMING: 109200 CPU: 325.602, 0.00298929/step Wall: 325.602, 0.00298929/step, 4.06112 hours remaining, 205.398438 MB of memory in use. ENERGY: 109200 781.9432 2061.2005 1940.9504 107.7773 -206131.7863 17962.8519 0.0000 0.0000 34177.0045 -149100.0584 298.4763 -183277.0629 -149004.9943 299.1914 123.1002 159.3917 556034.4992 0.7323 0.8920 PRESSURE: 109400 94.819 90.7869 68.4802 90.7869 41.4989 -135.478 68.4807 -135.478 -213.665 GPRESSURE: 109400 120.068 140.947 4.88114 81.7696 81.2655 -40.8197 43.0711 -217.956 -178.309 PRESSAVG: 109400 69.0918 34.485 39.4592 34.485 10.6115 11.0498 39.4593 11.0497 -79.9955 GPRESSAVG: 109400 68.4259 34.9843 38.0857 35.1586 9.65467 10.7857 38.9179 10.4888 -78.5824 TIMING: 109400 CPU: 326.197, 0.00297255/step Wall: 326.197, 0.00297255/step, 4.03821 hours remaining, 205.535156 MB of memory in use. ENERGY: 109400 747.2340 2031.3522 1935.4136 110.9624 -205774.5706 17436.8567 0.0000 0.0000 34336.4701 -149176.2815 299.8689 -183512.7516 -149074.1418 298.8978 -25.7825 7.6748 556151.0305 -0.0974 -0.1673 PRESSURE: 109600 -42.0668 -26.8602 65.1536 -26.8597 174.896 -87.4502 65.1537 -87.4487 11.3462 GPRESSURE: 109600 61.6699 54.5595 41.3941 -50.4223 181.999 -57.0517 13.959 -131.943 -6.29704 PRESSAVG: 109600 6.09036 5.69655 10.414 5.69651 -1.34501 -36.3271 10.4139 -36.327 20.2854 GPRESSAVG: 109600 6.51957 6.89838 10.1343 4.34242 -1.31194 -39.5141 10.4849 -35.7165 19.5663 TIMING: 109600 CPU: 326.793, 0.00297767/step Wall: 326.793, 0.00297767/step, 4.04499 hours remaining, 205.535156 MB of memory in use. ENERGY: 109600 751.9974 2112.5601 1939.8650 89.6319 -206205.0108 17939.4841 0.0000 0.0000 34151.0413 -149220.4311 298.2495 -183371.4724 -149129.8591 299.1301 48.0585 79.1241 556030.1915 8.3436 8.2580 PRESSURE: 109800 -86.8677 11.3876 -14.3182 11.3875 -250.715 -85.3034 -14.319 -85.3041 28.5944 GPRESSURE: 109800 -61.6176 29.5387 94.8564 -16.0918 -180.986 -44.5834 -3.40292 -115.548 41.4783 PRESSAVG: 109800 13.3907 -4.57713 54.1826 -4.57712 13.5167 -9.03254 54.1826 -9.0326 -50.0135 GPRESSAVG: 109800 13.8627 -4.71828 55.1678 -4.9068 13.6191 -5.91183 57.6372 -9.39102 -50.3549 TIMING: 109800 CPU: 327.393, 0.00300243/step Wall: 327.393, 0.00300243/step, 4.07846 hours remaining, 205.535156 MB of memory in use. ENERGY: 109800 767.8577 2102.0352 1929.3989 112.8084 -206090.2338 17626.5413 0.0000 0.0000 34182.5362 -149369.0561 298.5246 -183551.5923 -149272.0366 299.6644 -102.9960 -67.0417 555922.6053 -7.7021 -7.6243 PRESSURE: 110000 44.6965 43.8964 102.813 43.8972 -168.462 83.5691 102.813 83.5696 99.8273 GPRESSURE: 110000 158.455 117.869 130.278 -36.7455 -194.55 31.8648 143.859 144.278 101.464 PRESSAVG: 110000 -22.8152 28.0518 -16.0992 28.0517 56.3713 -29.3855 -16.0992 -29.3855 -13.1268 GPRESSAVG: 110000 -22.9182 29.0383 -18.1673 30.6037 56.8617 -30.1313 -16.861 -29.8379 -13.3051 TIMING: 110000 CPU: 327.993, 0.00299764/step Wall: 327.993, 0.00299764/step, 4.07179 hours remaining, 205.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 110000 732.1705 2115.3200 1907.9268 116.9536 -206153.3119 17779.9073 0.0000 0.0000 34279.6582 -149221.3754 299.3728 -183501.0336 -149125.0727 299.2072 -7.9793 21.7897 557667.1627 6.8097 6.8795 PRESSURE: 110200 -46.5511 -14.1692 133.575 -14.1699 113.87 58.1735 133.576 58.1724 -103.066 GPRESSURE: 110200 43.7341 -22.3755 171.957 40.6008 134.286 47.1083 158.6 71.3706 -124.972 PRESSAVG: 110200 46.893 -13.1483 57.3325 -13.1482 -59.6709 17.7984 57.3325 17.7984 16.0359 GPRESSAVG: 110200 46.1948 -15.4049 58.2939 -13.8428 -60.6279 18.5197 55.3995 17.9301 17.8123 TIMING: 110200 CPU: 328.592, 0.00299931/step Wall: 328.592, 0.00299931/step, 4.07389 hours remaining, 205.535156 MB of memory in use. ENERGY: 110200 738.4896 2075.6439 1929.3595 101.0278 -206297.0175 17982.7312 0.0000 0.0000 34196.5456 -149273.2200 298.6469 -183469.7656 -149175.9386 298.7388 -11.9156 17.6826 558267.3720 1.0860 1.1264 PRESSURE: 110400 99.4058 -27.3606 26.3067 -27.3603 -34.2567 249.445 26.3066 249.444 8.34398 GPRESSURE: 110400 120.026 -44.339 66.1811 62.0319 -42.7784 266.448 1.28024 236.609 95.1877 PRESSAVG: 110400 4.75154 29.7378 -28.5473 29.7378 14.0129 -28.8216 -28.5473 -28.8217 -14.0244 GPRESSAVG: 110400 4.86229 30.9964 -27.8654 29.0965 14.3372 -31.714 -28.2076 -27.6595 -14.8965 TIMING: 110400 CPU: 329.19, 0.00298979/step Wall: 329.19, 0.00298979/step, 4.0608 hours remaining, 205.535156 MB of memory in use. ENERGY: 110400 702.0628 2079.2727 1973.0165 118.9861 -206176.2954 17768.2449 0.0000 0.0000 34201.8717 -149332.8407 298.6935 -183534.7124 -149239.1193 298.3905 24.4977 57.4786 557649.4346 1.5800 1.4343 PRESSURE: 110600 -215.882 35.949 59.6255 35.949 -232.551 96.8814 59.6268 96.8817 -133.143 GPRESSURE: 110600 -189.474 26.1728 -5.53998 51.9936 -164.773 201.739 96.6577 52.3879 -131.404 PRESSAVG: 110600 31.1484 -14.5511 -3.44958 -14.5511 -10.133 37.5601 -3.44951 37.5601 -9.71408 GPRESSAVG: 110600 31.506 -16.3233 -5.19438 -12.6362 -9.67278 40.8292 -3.79467 34.7005 -10.3269 TIMING: 110600 CPU: 329.789, 0.00299378/step Wall: 329.789, 0.00299378/step, 4.06605 hours remaining, 205.535156 MB of memory in use. ENERGY: 110600 742.8950 2051.0674 1962.8501 100.5802 -205898.5503 17600.9884 0.0000 0.0000 34116.3843 -149323.7850 297.9469 -183440.1693 -149231.1998 298.5609 -193.8588 -161.8836 559529.2660 3.7671 3.8355 PRESSURE: 110800 -40.1007 -115.131 91.4373 -115.131 -36.2316 66.1834 91.4383 66.1828 47.6507 GPRESSURE: 110800 1.4567 -120.574 -11.5368 -134.657 -46.7726 35.927 184.974 51.3519 110.701 PRESSAVG: 110800 39.3016 -0.959291 -12.005 -0.959331 32.4237 41.4769 -12.005 41.4769 -49.0938 GPRESSAVG: 110800 39.8393 -0.997134 -11.176 -3.45483 32.6781 40.3664 -11.8563 43.8203 -49.1733 TIMING: 110800 CPU: 330.392, 0.00301566/step Wall: 330.392, 0.00301566/step, 4.0956 hours remaining, 205.535156 MB of memory in use. ENERGY: 110800 731.8590 2047.4685 1980.1670 126.8552 -205930.3805 17757.5374 0.0000 0.0000 33871.3348 -149415.1585 295.8068 -183286.4934 -149324.8599 298.6622 -9.5605 21.7951 557492.1322 7.5438 7.7814 PRESSURE: 111000 10.8417 97.314 -160.239 97.3131 -20.1079 39.8437 -160.239 39.8424 -37.9686 GPRESSURE: 111000 66.7248 180.842 -242.202 88.1258 -16.3903 -0.383086 -110.861 8.88579 -0.813055 PRESSAVG: 111000 -15.314 17.7577 -20.0408 17.7577 -41.1805 67.1787 -20.0408 67.1787 68.3333 GPRESSAVG: 111000 -16.9561 20.0061 -20.5766 18.4559 -40.1655 65.7556 -18.3242 66.2915 69.0082 TIMING: 111000 CPU: 331, 0.00303762/step Wall: 331, 0.00303762/step, 4.12525 hours remaining, 205.535156 MB of memory in use. ENERGY: 111000 772.6214 2090.5220 1951.0610 100.2945 -206407.6395 17771.2243 0.0000 0.0000 34186.6687 -149535.2476 298.5607 -183721.9163 -149433.6038 298.3939 -15.7450 16.5071 555751.6438 3.9462 3.9622 PRESSURE: 111200 -72.8346 -132.341 75.6438 -132.339 -134.84 113.759 75.6438 113.758 -3.49479 GPRESSURE: 111200 -77.8892 -112.407 105.052 -127.282 -81.5223 -27.4695 84.2073 137.526 41.5983 PRESSAVG: 111200 -17.7962 2.03903 0.430831 2.03901 26.7565 39.5704 0.430866 39.5704 32.5856 GPRESSAVG: 111200 -16.4263 0.00478891 2.40652 2.29946 25.7368 41.9136 -2.5446 37.9538 32.1926 TIMING: 111200 CPU: 331.594, 0.00297285/step Wall: 331.594, 0.00297285/step, 4.03713 hours remaining, 205.535156 MB of memory in use. ENERGY: 111200 719.9665 2053.6050 1977.9535 120.3903 -205919.9265 17499.5367 0.0000 0.0000 33979.3094 -149569.1650 296.7498 -183548.4744 -149471.0848 298.3583 -70.3897 -39.2710 557042.0052 13.8486 13.8343 PRESSURE: 111400 192.106 99.4207 43.4967 99.4216 148.633 -34.3805 43.4953 -34.382 50.323 GPRESSURE: 111400 209.017 87.044 -20.0544 158.718 192.017 39.3683 7.50568 -79.1869 84.2235 PRESSAVG: 111400 26.2573 16.498 11.1284 16.498 -70.0278 -2.65598 11.1283 -2.65598 44.7631 GPRESSAVG: 111400 25.8414 15.735 9.20448 16.885 -69.5723 -0.555866 11.4229 -1.30146 44.954 TIMING: 111400 CPU: 332.193, 0.00299142/step Wall: 332.193, 0.00299142/step, 4.06219 hours remaining, 205.535156 MB of memory in use. ENERGY: 111400 722.6311 2100.6762 1922.2686 110.7005 -206590.4414 17974.5475 0.0000 0.0000 34171.3743 -149588.2432 298.4271 -183759.6175 -149497.0067 298.3134 130.3541 161.7523 557138.1341 0.3309 0.4077 PRESSURE: 111600 -172.066 238.002 168.883 238.001 -61.9216 168.152 168.884 168.152 -37.2521 GPRESSURE: 111600 -173.438 129.925 151.13 213.843 -25.1706 47.607 114.531 192.717 5.40466 PRESSAVG: 111600 -3.2546 15.8409 -3.00381 15.8409 -2.89949 4.24726 -3.00374 4.24718 -1.77788 GPRESSAVG: 111600 -3.03173 17.1247 -1.31317 17.6818 -3.89775 1.69958 -2.43117 4.05694 -0.79072 TIMING: 111600 CPU: 332.793, 0.00300018/step Wall: 332.793, 0.00300018/step, 4.07392 hours remaining, 205.535156 MB of memory in use. ENERGY: 111600 746.5785 2042.2109 1927.8336 108.9790 -206298.9060 17800.9911 0.0000 0.0000 34216.3708 -149455.9420 298.8201 -183672.3128 -149358.0368 298.8346 -90.4133 -64.4013 557460.9289 -2.6440 -2.5734 PRESSURE: 111800 164.678 -12.6887 -4.00015 -12.6899 -80.6673 -2.14106 -4.00017 -2.14037 -213.446 GPRESSURE: 111800 177.169 24.7701 61.2984 -67.3181 -14.023 8.77586 -32.144 -12.0273 -191.684 PRESSAVG: 111800 19.0061 70.6808 -21.5203 70.6809 -20.0609 3.62869 -21.5202 3.62866 -4.45064 GPRESSAVG: 111800 19.4541 71.0385 -22.862 70.0896 -19.1222 3.25365 -21.3385 5.35129 -5.50053 TIMING: 111800 CPU: 333.389, 0.00298168/step Wall: 333.389, 0.00298168/step, 4.04863 hours remaining, 205.535156 MB of memory in use. ENERGY: 111800 752.1287 2009.5463 1934.9898 103.9956 -206116.5113 17706.6972 0.0000 0.0000 34108.4800 -149500.6737 297.8778 -183609.1537 -149399.8136 299.0316 -43.1451 -9.5124 557391.8821 -1.8351 -1.7229 PRESSURE: 112000 131.906 -45.7455 -70.2794 -45.7457 -17.1016 27.7401 -70.2795 27.7385 87.5571 GPRESSURE: 112000 169.884 -33.8583 -55.7549 39.3835 38.9998 60.9372 -0.577128 -46.3606 90.2684 PRESSAVG: 112000 -3.69393 7.41802 -5.10982 7.41799 -55.0414 50.3693 -5.10981 50.3694 39.8455 GPRESSAVG: 112000 -2.01962 7.47728 -4.73165 8.01016 -56.0955 50.99 -5.37381 47.9768 39.0538 TIMING: 112000 CPU: 333.984, 0.00297561/step Wall: 333.984, 0.00297561/step, 4.04021 hours remaining, 205.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 112000 737.9915 2071.9683 1944.9460 109.0248 -206422.3651 17840.3481 0.0000 0.0000 34157.5822 -149560.5042 298.3067 -183718.0864 -149462.9709 298.7516 67.4537 99.7173 556908.2695 -6.2966 -6.3538 PRESSURE: 112200 -71.3974 -49.6727 66.0922 -49.6735 -133.112 -38.1184 66.0934 -38.1192 -319.367 GPRESSURE: 112200 -59.061 -93.301 162.267 -49.826 -92.8762 -68.5195 91.5535 -52.9005 -284.03 PRESSAVG: 112200 -36.1757 26.3949 -10.2865 26.3948 22.0457 -50.3035 -10.2865 -50.3036 52.5416 GPRESSAVG: 112200 -38.8934 29.527 -10.5172 22.1464 23.8513 -51.4707 -10.0747 -49.556 53.0501 TIMING: 112200 CPU: 334.583, 0.00299601/step Wall: 334.583, 0.00299601/step, 4.06775 hours remaining, 205.535156 MB of memory in use. ENERGY: 112200 769.3011 2053.8770 1930.7942 106.8950 -206104.2982 17653.6644 0.0000 0.0000 34181.5409 -149408.2254 298.5159 -183589.7663 -149315.2078 298.6547 -174.6254 -145.3225 557834.3216 12.8039 12.6693 LDB: ============= START OF LOAD BALANCING ============== 338.133 LDB: ============== END OF LOAD BALANCING =============== 338.133 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 338.135 LDB: ============= START OF LOAD BALANCING ============== 338.434 LDB: Largest compute 4795 load 0.028242 is 23.9% of average load 0.118039 LDB: Average compute 0.001730 is 1.5% of average load 0.118039 LDB: TIME 338.437 LOAD: AVG 0.118039 MAX 0.211823 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.426 MB LDB: TIME 338.437 LOAD: AVG 0.118039 MAX 0.211823 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.43 MB LDB: TIME 338.437 LOAD: AVG 0.118039 MAX 0.211823 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.43 MB LDB: ============== END OF LOAD BALANCING =============== 338.439 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 338.443 PRESSURE: 112400 29.5717 6.49802 152.88 6.4976 -48.3641 56.5962 152.879 56.5959 -233.316 GPRESSURE: 112400 42.1511 -39.5739 163.673 84.0706 -21.3877 162.569 142.693 1.44657 -179.581 PRESSAVG: 112400 67.5865 -23.4362 47.3722 -23.4361 0.524351 -8.77843 47.3723 -8.77845 -37.7308 GPRESSAVG: 112400 68.3029 -25.4159 46.9296 -21.9785 -0.907088 -5.14074 46.1858 -11.2135 -36.6791 TIMING: 112400 CPU: 335.193, 0.00304823/step Wall: 335.193, 0.00304823/step, 4.13848 hours remaining, 206.355469 MB of memory in use. ENERGY: 112400 756.8871 2146.9552 1947.9299 106.6862 -206253.5280 17634.1786 0.0000 0.0000 34241.3861 -149419.5049 299.0385 -183660.8910 -149325.3593 299.1119 -84.0363 -52.9392 555816.1846 10.1267 10.2389 PRESSURE: 112600 275.998 -77.013 115.858 -77.014 242.663 22.9319 115.859 22.9331 32.4015 GPRESSURE: 112600 322.041 -95.954 59.4642 -80.8657 301.076 5.76148 144.064 33.2572 42.6839 PRESSAVG: 112600 92.8101 3.1367 37.9571 3.13668 -9.97351 42.6395 37.9571 42.6394 -52.7994 GPRESSAVG: 112600 93.7176 3.39045 35.5162 3.37906 -10.6981 42.084 39.8956 43.6754 -52.3649 TIMING: 112600 CPU: 335.786, 0.00296522/step Wall: 335.786, 0.00296522/step, 4.02562 hours remaining, 206.558594 MB of memory in use. ENERGY: 112600 739.0528 2052.4256 1946.5851 111.2174 -206635.8591 18073.1678 0.0000 0.0000 34159.9480 -149553.4624 298.3273 -183713.4104 -149451.4810 299.0351 183.6876 221.9339 556214.3056 10.0124 10.2182 PRESSURE: 112800 -32.7179 25.9273 3.84058 25.9265 -123.536 200.822 3.841 200.821 -54.8361 GPRESSURE: 112800 11.8379 84.3051 -86.8379 -2.7845 -51.0244 91.8718 111.775 166.621 -62.1843 PRESSAVG: 112800 57.5773 33.6296 7.71382 33.6295 2.46961 11.381 7.71383 11.381 -28.3267 GPRESSAVG: 112800 57.8345 32.5726 9.943 35.4456 3.6191 7.53801 6.96918 14.6428 -29.1824 TIMING: 112800 CPU: 336.381, 0.00297564/step Wall: 336.381, 0.00297564/step, 4.03959 hours remaining, 206.558594 MB of memory in use. ENERGY: 112800 746.2177 2063.2762 1936.0410 115.0967 -206226.9045 17673.8744 0.0000 0.0000 34046.0458 -149646.3528 297.3326 -183692.3986 -149547.0918 298.5584 -70.3633 -33.7903 556911.9520 10.5734 10.7571 PRESSURE: 113000 -68.1275 7.4555 -150.423 7.45492 67.8274 -123.939 -150.423 -123.94 3.59568 GPRESSURE: 113000 18.7988 16.4074 -210.142 9.99277 45.794 -73.0142 -149.569 -83.8504 37.3116 PRESSAVG: 113000 15.1875 31.9468 -13.5116 31.9468 -11.2909 -2.80823 -13.5116 -2.80828 8.82897 GPRESSAVG: 113000 16.0244 33.7824 -11.7404 31.0707 -11.2164 -0.543943 -14.7526 -4.57427 8.76182 TIMING: 113000 CPU: 336.976, 0.00297343/step Wall: 336.976, 0.00297343/step, 4.03643 hours remaining, 206.558594 MB of memory in use. ENERGY: 113000 767.0693 2119.1198 1936.0959 119.8539 -206649.8856 17934.5325 0.0000 0.0000 34157.0855 -149616.1288 298.3023 -183773.2142 -149521.0105 297.9062 1.0985 33.9681 555596.2872 4.2419 4.5233 PRESSURE: 113200 -268.964 32.2768 241.803 32.276 -66.8595 123.144 241.803 123.144 -8.67748 GPRESSURE: 113200 -188.523 35.3291 185.505 -13.4515 -63.3556 100.077 231.734 38.6586 12.4008 PRESSAVG: 113200 -11.1205 34.8717 -8.99459 34.8717 39.1919 19.8637 -8.99449 19.8637 12.7208 GPRESSAVG: 113200 -11.2538 34.1744 -10.318 35.2085 38.4255 20.2834 -6.03512 18.6231 13.0848 TIMING: 113200 CPU: 337.575, 0.00299583/step Wall: 337.575, 0.00299583/step, 4.06667 hours remaining, 206.558594 MB of memory in use. ENERGY: 113200 792.6004 2098.2615 1921.0923 105.2290 -206469.2718 17702.5663 0.0000 0.0000 34329.1952 -149520.3270 299.8054 -183849.5222 -149415.4479 298.5474 -114.8337 -79.8259 557223.9816 13.5974 13.4189 PRESSURE: 113400 -65.2411 -34.4802 70.0416 -34.4804 211.771 -114.247 70.0433 -114.247 116.748 GPRESSURE: 113400 -43.9491 -74.6129 67.864 -1.93219 271.262 -91.5968 133.162 -5.30034 146.988 PRESSAVG: 113400 -61.3092 37.6763 10.0599 37.6763 50.3842 -9.45415 10.06 -9.45418 12.2861 GPRESSAVG: 113400 -61.1308 37.1554 10.5532 36.4621 50.5699 -9.16027 7.19776 -8.19486 12.4553 TIMING: 113400 CPU: 338.172, 0.00298631/step Wall: 338.172, 0.00298631/step, 4.05358 hours remaining, 206.558594 MB of memory in use. ENERGY: 113400 751.5911 2094.8640 1932.5569 109.6866 -206355.9530 17890.5073 0.0000 0.0000 34183.7883 -149392.9588 298.5355 -183576.7471 -149296.4043 299.4417 87.7594 124.7671 557240.0086 0.4537 0.6315 PRESSURE: 113600 -91.9415 55.4613 150.587 55.4616 72.2808 164.137 150.588 164.137 -84.6096 GPRESSURE: 113600 -21.9041 76.6676 175.071 39.8661 78.9951 103.009 74.1907 187.535 -67.6203 PRESSAVG: 113600 -26.8194 40.2977 17.6435 40.2977 -1.90479 36.0638 17.6435 36.0638 54.2776 GPRESSAVG: 113600 -26.6069 39.1741 17.2127 42.4994 -1.59768 33.882 20.2308 37.419 53.6521 TIMING: 113600 CPU: 338.772, 0.00299823/step Wall: 338.772, 0.00299823/step, 4.06959 hours remaining, 206.558594 MB of memory in use. ENERGY: 113600 726.8041 2070.4785 1930.1890 110.6470 -206573.9741 17810.4033 0.0000 0.0000 34460.2778 -149465.1744 300.9502 -183925.4522 -149369.1728 299.0536 -34.7568 -3.5098 558082.9918 8.5178 8.4825 PRESSURE: 113800 -122.121 94.458 33.781 94.4587 142.488 51.4087 33.7806 51.4089 -185.116 GPRESSURE: 113800 -55.746 142.424 -13.2088 90.6485 153.86 8.06833 114.587 46.4266 -148.974 PRESSAVG: 113800 -19.3567 40.7111 -12.1494 40.7111 27.5994 55.7042 -12.1494 55.7043 -15.1417 GPRESSAVG: 113800 -19.8802 43.4032 -10.9412 40.2205 27.9974 56.4047 -14.668 54.5243 -15.2176 TIMING: 113800 CPU: 339.369, 0.00298812/step Wall: 339.369, 0.00298812/step, 4.05571 hours remaining, 206.558594 MB of memory in use. ENERGY: 113800 751.1799 2039.9107 1936.8351 110.4560 -206276.2306 17830.2926 0.0000 0.0000 34071.5919 -149535.9644 297.5557 -183607.5563 -149435.6906 298.7964 -54.9164 -16.9531 557623.2750 -2.2997 -2.3668 PRESSURE: 114000 -170.584 27.9238 -15.255 27.9235 -280.436 -55.7807 -15.2548 -55.7803 -53.1151 GPRESSURE: 114000 -138.253 -16.0919 36.0619 81.3359 -252.966 -42.1376 5.93746 -84.3943 -13.1013 PRESSAVG: 114000 21.6467 49.7628 34.3544 49.7627 -37.0469 -1.63217 34.3544 -1.63213 -1.66771 GPRESSAVG: 114000 21.638 48.262 33.3485 52.1821 -38.0317 -1.96771 35.5876 -2.28749 -1.15151 TIMING: 114000 CPU: 339.969, 0.00299629/step Wall: 339.969, 0.00299629/step, 4.06663 hours remaining, 206.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 114000 753.5864 2094.1856 1958.9109 116.1316 -206270.2512 17681.4895 0.0000 0.0000 34179.1116 -149486.8354 298.4947 -183665.9471 -149389.9329 297.8522 -168.0452 -134.7732 557651.6565 -5.6893 -5.8484 PRESSURE: 114200 -148.451 98.0093 33.8515 98.0118 145.487 7.00582 33.8513 7.00621 45.7497 GPRESSURE: 114200 -113.601 130.797 47.3414 42.1052 160.463 -107.378 0.634394 73.571 78.0705 PRESSAVG: 114200 56.2244 30.2067 11.5667 30.2067 -18.7488 -13.7334 11.5666 -13.7334 -28.5977 GPRESSAVG: 114200 55.1728 29.7181 12.1092 28.2826 -18.1008 -16.3765 9.88049 -12.2223 -28.7504 TIMING: 114200 CPU: 340.574, 0.00302507/step Wall: 340.574, 0.00302507/step, 4.10553 hours remaining, 206.558594 MB of memory in use. ENERGY: 114200 780.5311 2076.4558 1966.0250 108.7274 -206376.5397 17775.3690 0.0000 0.0000 34123.1424 -149546.2890 298.0059 -183669.4314 -149447.7987 298.2750 14.2619 41.6441 556778.0903 2.9593 2.7739 PRESSURE: 114400 327.473 -65.6773 -58.3885 -65.6759 293.429 25.9521 -58.3888 25.9534 40.1321 GPRESSURE: 114400 337.427 47.6727 -62.256 -15.0587 342.973 58.8998 -98.2421 -11.6417 70.2411 PRESSAVG: 114400 -37.9872 16.1804 24.2112 16.1804 64.62 -14.5681 24.2113 -14.568 12.3085 GPRESSAVG: 114400 -37.2696 16.6804 24.2801 15.1785 63.9818 -10.2167 25.8497 -17.1029 11.8782 TIMING: 114400 CPU: 341.173, 0.00299458/step Wall: 341.173, 0.00299458/step, 4.06397 hours remaining, 206.558594 MB of memory in use. ENERGY: 114400 748.4274 2083.2802 1915.7927 135.4336 -206384.6612 18036.8243 0.0000 0.0000 34081.6007 -149383.3023 297.6431 -183464.9030 -149282.2093 298.3032 220.3448 250.2137 556066.9821 12.9804 12.8635 PRESSURE: 114600 -65.088 -164.305 75.6896 -164.305 -22.0739 15.0796 75.6891 15.0801 -66.5892 GPRESSURE: 114600 -31.7629 -62.3615 -28.0295 -233.458 27.7808 -24.7626 104.942 14.3837 -47.8509 PRESSAVG: 114600 -25.4015 -12.8873 48.2906 -12.8872 31.3776 20.8674 48.2905 20.8674 -29.2874 GPRESSAVG: 114600 -25.5501 -13.2918 48.939 -11.184 30.9509 18.93 47.2168 22.4766 -28.2565 TIMING: 114600 CPU: 341.768, 0.00297554/step Wall: 341.768, 0.00297553/step, 4.03797 hours remaining, 206.558594 MB of memory in use. ENERGY: 114600 726.0797 2033.2950 1949.7473 111.6136 -206046.6361 17669.1010 0.0000 0.0000 34257.0306 -149299.7689 299.1752 -183556.7995 -149201.8032 298.9196 -51.2503 -17.2777 557617.4165 -7.7704 -7.6186 PRESSURE: 114800 139.233 24.0484 11.0725 24.048 -70.3568 8.16603 11.0728 8.16559 -38.3359 GPRESSURE: 114800 183.78 39.0463 -42.4675 -67.8077 -44.7922 -3.36027 34.7873 -4.42797 -11.7476 PRESSAVG: 114800 16.0469 2.50099 0.321231 2.50101 -22.697 -11.8153 0.321228 -11.8152 -14.4973 GPRESSAVG: 114800 16.8966 3.15566 -0.864189 2.23626 -22.5257 -11.8096 1.42708 -10.2855 -15.3396 TIMING: 114800 CPU: 342.362, 0.00296969/step Wall: 342.362, 0.00296969/step, 4.02986 hours remaining, 206.558594 MB of memory in use. ENERGY: 114800 752.3450 2082.2954 1928.7503 111.3735 -206395.8091 17773.9623 0.0000 0.0000 34364.1172 -149382.9653 300.1104 -183747.0826 -149286.1085 299.1278 10.1803 42.4134 555489.9903 -7.0491 -6.9896 PRESSURE: 115000 -168.257 11.9082 96.6183 11.9073 -106.349 -182.618 96.6182 -182.618 -199.291 GPRESSURE: 115000 -194.405 14.9599 135.771 32.9068 -46.5736 -118.146 118.418 -106.796 -138.895 PRESSAVG: 115000 -7.07884 16.9573 -21.4624 16.9573 -1.50897 10.9906 -21.4624 10.9906 4.06945 GPRESSAVG: 115000 -8.49818 14.0154 -19.7745 17.8971 -1.04089 12.2363 -21.5933 8.10184 4.75256 TIMING: 115000 CPU: 342.959, 0.00298832/step Wall: 342.959, 0.00298832/step, 4.05498 hours remaining, 206.566406 MB of memory in use. ENERGY: 115000 785.9974 1997.4594 1948.9398 117.7707 -206196.6550 17638.4871 0.0000 0.0000 34370.6423 -149337.3584 300.1674 -183708.0007 -149236.3689 299.2452 -157.9659 -126.6246 557243.6274 -1.5061 -1.5955 PRESSURE: 115200 74.326 -138.689 -62.4993 -138.689 130.63 186.831 -62.502 186.83 127.296 GPRESSURE: 115200 151.579 -169.8 -23.4377 -127.845 139.521 160.375 -95.7872 262.885 130.467 PRESSAVG: 115200 -20.8082 -14.0961 -44.0946 -14.0961 45.0861 -8.70926 -44.0944 -8.7093 -41.4945 GPRESSAVG: 115200 -20.0841 -12.4346 -46.9598 -16.4924 45.1344 -8.60036 -41.3289 -6.51006 -41.334 TIMING: 115200 CPU: 343.557, 0.00298782/step Wall: 343.557, 0.00298782/step, 4.05414 hours remaining, 206.636719 MB of memory in use. ENERGY: 115200 783.0997 2166.7669 1926.5229 115.3230 -207067.3124 18309.7298 0.0000 0.0000 34281.8393 -149484.0309 299.3918 -183765.8702 -149392.7988 299.5308 110.7506 140.5221 557299.5807 -5.7389 -5.4279 PRESSURE: 115400 179.345 -20.4862 212.007 -20.4864 -252.307 -90.7118 212.007 -90.7122 242.955 GPRESSURE: 115400 169.41 -19.0298 178.7 12.1801 -238.843 -34.2843 204.254 -94.3887 335.706 PRESSAVG: 115400 48.9062 5.9865 5.12807 5.98643 -50.2925 37.7006 5.128 37.7005 3.44247 GPRESSAVG: 115400 49.6992 5.65331 6.5426 6.93164 -51.1262 36.049 2.23557 37.464 3.01952 TIMING: 115400 CPU: 344.157, 0.00299812/step Wall: 344.157, 0.00299812/step, 4.06795 hours remaining, 206.636719 MB of memory in use. ENERGY: 115400 794.6042 2088.7280 1964.8690 107.1666 -206815.5755 18126.1935 0.0000 0.0000 34244.3906 -149489.6236 299.0648 -183734.0142 -149402.8024 299.5010 56.6643 88.7578 558538.6913 0.6854 0.5308 PRESSURE: 115600 55.1044 60.258 -85.4775 60.2578 33.1494 106.357 -85.4775 106.355 -63.9751 GPRESSURE: 115600 92.6383 146.019 91.6126 -64.5696 43.5084 58.1316 -112.471 183.508 -25.4318 PRESSAVG: 115600 46.4408 -36.9779 -33.7062 -36.9779 -11.1079 4.08192 -33.7062 4.08209 -54.6747 GPRESSAVG: 115600 45.7223 -35.1576 -33.2284 -39.2202 -11.7397 4.77452 -32.6913 3.09221 -53.3461 TIMING: 115600 CPU: 344.754, 0.00298916/step Wall: 344.754, 0.00298916/step, 4.05563 hours remaining, 206.636719 MB of memory in use. ENERGY: 115600 779.4939 2122.9956 1935.4350 120.9236 -206424.5660 18009.2363 0.0000 0.0000 34028.0253 -149428.4563 297.1752 -183456.4816 -149329.9069 298.7345 8.0929 36.9050 557619.1106 -6.4473 -6.4545 PRESSURE: 115800 -18.6761 12.4184 92.5219 12.4184 -44.6973 -171.145 92.5226 -171.145 88.3557 GPRESSURE: 115800 39.5246 -53.8563 42.0613 -10.8371 -42.8489 -51.1672 53.7183 -239.498 127.342 PRESSAVG: 115800 24.6665 -48.3946 -52.0719 -48.3946 -15.5653 -73.0102 -52.0719 -73.0102 -27.6521 GPRESSAVG: 115800 25.501 -50.1796 -50.2978 -45.7794 -14.9876 -72.5771 -54.3351 -71.867 -29.4169 TIMING: 115800 CPU: 345.349, 0.00297315/step Wall: 345.349, 0.00297315/step, 4.03373 hours remaining, 206.636719 MB of memory in use. ENERGY: 115800 739.6426 2052.6768 1957.0257 100.2327 -206451.8076 17870.5500 0.0000 0.0000 34310.1646 -149421.5152 299.6392 -183731.6799 -149317.0249 299.0224 8.3274 41.3393 557693.6327 -6.1836 -6.3012 PRESSURE: 116000 226.879 69.4875 -143.745 69.4867 77.8121 -103.761 -143.745 -103.762 124.6 GPRESSURE: 116000 223.023 -3.5858 -134.859 76.44 95.4535 -121.422 -131.853 -106.061 206.735 PRESSAVG: 116000 -8.14902 15.2285 -65.9968 15.2284 22.3836 -67.7135 -65.9968 -67.7135 -0.442821 GPRESSAVG: 116000 -9.59859 13.5256 -66.5238 15.9931 23.3427 -69.118 -64.6326 -68.4192 0.411729 TIMING: 116000 CPU: 345.944, 0.00297591/step Wall: 345.944, 0.00297591/step, 4.03732 hours remaining, 206.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 116000 724.1497 2073.2267 1963.2525 114.5274 -206414.7169 17950.3609 0.0000 0.0000 34165.0058 -149424.1939 298.3715 -183589.1997 -149333.7009 299.3226 143.0968 175.0704 556427.6070 4.5972 4.7186 PRESSURE: 116200 -178.124 242.942 76.672 242.942 -155.179 -11.65 76.6715 -11.651 -238.277 GPRESSURE: 116200 -138.066 212.073 34.2139 151.644 -138.812 -47.7265 32.7238 -46.593 -203.156 PRESSAVG: 116200 11.9022 48.8506 -30.9104 48.8506 31.4414 0.169722 -30.9104 0.169725 -60.6381 GPRESSAVG: 116200 13.1973 49.6233 -31.9571 45.2967 30.3271 0.104335 -31.2772 0.997854 -60.5106 TIMING: 116200 CPU: 346.536, 0.00295939/step Wall: 346.536, 0.00295939/step, 4.01475 hours remaining, 206.636719 MB of memory in use. ENERGY: 116200 787.9659 2048.5439 1928.3088 113.0518 -205979.6346 17603.2637 0.0000 0.0000 34027.1840 -149471.3165 297.1679 -183498.5005 -149375.6312 298.3492 -190.5267 -160.0111 556296.6811 -5.7648 -5.6620 LDB: ============= START OF LOAD BALANCING ============== 350.083 LDB: ============== END OF LOAD BALANCING =============== 350.083 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 350.085 LDB: ============= START OF LOAD BALANCING ============== 350.383 LDB: Largest compute 4796 load 0.026924 is 22.8% of average load 0.118086 LDB: Average compute 0.001731 is 1.5% of average load 0.118086 LDB: TIME 350.386 LOAD: AVG 0.118086 MAX 0.209695 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.137 MB LDB: TIME 350.386 LOAD: AVG 0.118086 MAX 0.209695 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.379 MB LDB: TIME 350.386 LOAD: AVG 0.118086 MAX 0.209695 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.379 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 350.388 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 350.392 PRESSURE: 116400 -97.6646 -171.014 -57.9509 -171.014 92.672 -6.32513 -57.9513 -6.32571 156.524 GPRESSURE: 116400 11.378 -88.2965 31.0157 -218.943 75.8167 -83.3308 -2.14682 -67.5152 156.716 PRESSAVG: 116400 -8.21625 -8.08413 -62.4212 -8.0842 56.8474 14.2617 -62.4213 14.2617 -35.8344 GPRESSAVG: 116400 -7.92226 -4.78314 -63.073 -6.81348 56.6522 14.7152 -60.492 12.9996 -35.9617 TIMING: 116400 CPU: 347.142, 0.00303056/step Wall: 347.142, 0.00303056/step, 4.11113 hours remaining, 204.414062 MB of memory in use. ENERGY: 116400 775.5115 2057.0008 1929.9663 103.2872 -206561.8231 17918.7667 0.0000 0.0000 34293.6579 -149483.6328 299.4950 -183777.2907 -149390.7278 297.9767 50.5105 81.3035 556678.4159 4.2656 4.2561 PRESSURE: 116600 150.168 184.072 71.4829 184.072 240.276 -74.3354 71.4837 -74.3355 -112.806 GPRESSURE: 116600 193.391 137.147 -9.59471 173.714 234.006 -86.7163 133.498 -78.4077 -49.7718 PRESSAVG: 116600 40.9885 59.5971 -32.2651 59.597 27.9174 65.3019 -32.2652 65.3019 -49.6709 GPRESSAVG: 116600 40.5224 57.2244 -30.6719 58.8358 28.3735 64.5835 -34.3729 66.8117 -49.6807 TIMING: 116600 CPU: 347.74, 0.00298746/step Wall: 347.74, 0.00298747/step, 4.0525 hours remaining, 204.414062 MB of memory in use. ENERGY: 116600 720.1456 2107.0715 1964.6080 111.3551 -206423.2630 17876.2446 0.0000 0.0000 34077.3852 -149566.4530 297.6063 -183643.8382 -149472.1619 298.5379 92.5459 125.8750 556725.5741 6.4117 6.4051 PRESSURE: 116800 -43.0018 224.737 135.904 224.738 -174.292 23.7308 135.904 23.7301 -76.84 GPRESSURE: 116800 -16.1295 192.092 120.917 252.818 -120.69 10.32 76.3755 32.3045 -68.3543 PRESSAVG: 116800 -22.8325 47.0897 33.4572 47.0897 56.579 -40.4459 33.4572 -40.4457 -30.935 GPRESSAVG: 116800 -23.1817 49.1653 33.1988 48.0319 56.6239 -39.0931 34.3301 -41.4745 -30.4619 TIMING: 116800 CPU: 348.334, 0.00296948/step Wall: 348.334, 0.00296948/step, 4.02793 hours remaining, 204.480469 MB of memory in use. ENERGY: 116800 710.0965 2116.7409 1924.0515 132.6507 -206556.8155 17791.3018 0.0000 0.0000 34207.1451 -149674.8290 298.7395 -183881.9742 -149566.3211 298.5609 -98.0444 -68.3914 557615.7403 0.9372 0.9934 PRESSURE: 117000 -1.80461 -128.356 -32.0253 -128.355 -287.943 72.1294 -32.0252 72.1293 -72.9307 GPRESSURE: 117000 16.3038 -85.2717 34.5229 -82.624 -242.421 -0.508008 -67.4123 137.438 -25.53 PRESSAVG: 117000 34.673 31.5112 -22.1216 31.5112 6.23461 -6.32183 -22.1216 -6.32182 -4.22156 GPRESSAVG: 117000 35.1538 30.3423 -23.0173 31.3105 5.97559 -7.44458 -23.5385 -6.48015 -4.35135 TIMING: 117000 CPU: 348.933, 0.0029977/step Wall: 348.933, 0.0029977/step, 4.06605 hours remaining, 204.480469 MB of memory in use. ENERGY: 117000 740.6495 2080.0271 1964.3318 113.1329 -206463.2171 17730.5315 0.0000 0.0000 34173.1193 -149661.4250 298.4424 -183834.5443 -149563.4066 298.8140 -120.8929 -83.8826 557235.5392 12.2287 12.2594 PRESSURE: 117200 -236.081 -108.828 -20.2619 -108.828 163.11 69.698 -20.2626 69.6955 -50.7319 GPRESSURE: 117200 -194.857 -61.776 97.3967 -75.5997 230.456 71.6681 -70.5981 84.9988 -58.1385 PRESSAVG: 117200 -18.6816 -72.5813 -74.3893 -72.5812 2.36811 21.1191 -74.3893 21.1191 31.0817 GPRESSAVG: 117200 -19.8981 -72.0963 -74.7829 -71.6618 1.92504 21.2986 -72.6838 20.4496 32.7623 TIMING: 117200 CPU: 349.528, 0.00297666/step Wall: 349.528, 0.00297666/step, 4.03734 hours remaining, 204.480469 MB of memory in use. ENERGY: 117200 756.1510 2091.3326 1935.2416 111.2353 -206351.1366 17738.5830 0.0000 0.0000 34103.9548 -149614.6382 297.8383 -183718.5930 -149513.5739 297.5915 -41.2343 -7.5132 556122.8840 4.9227 4.9297 PRESSURE: 117400 10.724 143.305 -194.558 143.305 -266.801 108.467 -194.557 108.466 -208.566 GPRESSURE: 117400 36.9407 127.951 -211.522 75.5134 -211.306 87.863 -181.01 118.638 -208.026 PRESSAVG: 117400 -23.4269 27.8063 -58.7814 27.8064 -5.7513 7.16224 -58.7814 7.16224 38.9317 GPRESSAVG: 117400 -23.2018 26.0243 -58.3582 28.5792 -4.35766 7.63744 -58.406 8.63652 37.4206 TIMING: 117400 CPU: 350.124, 0.00297708/step Wall: 350.124, 0.00297708/step, 4.03775 hours remaining, 204.480469 MB of memory in use. ENERGY: 117400 759.2213 2039.7422 1956.6110 107.9834 -206230.4652 17654.8714 0.0000 0.0000 34080.4640 -149631.5719 297.6332 -183712.0359 -149534.9801 297.5646 -154.8811 -127.4639 556881.3340 3.2512 3.2870 PRESSURE: 117600 -244.501 23.5989 -28.018 23.5991 -107.293 150.52 -28.0177 150.521 73.6596 GPRESSURE: 117600 -192.883 -24.6176 -37.9106 72.7037 -113.623 161.17 58.7559 133.054 117.198 PRESSAVG: 117600 56.0779 89.0816 -34.5085 89.0816 -46.6852 51.9459 -34.5085 51.9459 -0.836207 GPRESSAVG: 117600 57.2953 90.9197 -34.204 87.4837 -48.9329 52.4281 -36.4578 50.0489 0.408525 TIMING: 117600 CPU: 350.72, 0.00297823/step Wall: 350.72, 0.00297823/step, 4.03914 hours remaining, 204.480469 MB of memory in use. ENERGY: 117600 738.9323 2078.3725 1943.7391 115.3416 -206362.5555 17576.5291 0.0000 0.0000 34128.5729 -149781.0680 298.0533 -183909.6409 -149681.3175 297.5085 -92.7112 -63.1025 556133.3413 2.8522 2.9236 PRESSURE: 117800 -285.045 -106.495 210.649 -106.497 -109.748 -48.2029 210.649 -48.2027 84.5254 GPRESSURE: 117800 -251.102 -93.7661 165.061 -136.051 -33.3913 -39.7651 184.33 -31.5201 62.3531 PRESSAVG: 117800 -8.97982 -12.071 -38.9782 -12.0711 17.9457 17.6412 -38.9781 17.6413 -26.9553 GPRESSAVG: 117800 -8.65705 -12.521 -39.1876 -9.68429 19.7254 18.4009 -37.707 19.1955 -28.6834 TIMING: 117800 CPU: 351.318, 0.00299271/step Wall: 351.318, 0.00299271/step, 4.05861 hours remaining, 204.480469 MB of memory in use. ENERGY: 117800 728.3001 2094.9817 1972.7070 112.4935 -206276.7599 17558.1533 0.0000 0.0000 34232.6004 -149577.5239 298.9618 -183810.1243 -149476.7772 298.1334 -103.4222 -74.0467 556668.5337 -5.9965 -5.8717 PRESSURE: 118000 -70.141 -172.766 -24.1342 -172.766 51.1516 -7.87784 -24.1346 -7.87893 -41.3946 GPRESSURE: 118000 8.37699 -148.711 -67.9883 -212.637 26.1838 -68.5905 -109.106 -36.5202 -7.44755 PRESSAVG: 118000 33.0564 -5.89859 11.3297 -5.89848 -9.70261 -12.0719 11.3297 -12.0719 26.5084 GPRESSAVG: 118000 32.0929 -5.86261 9.35085 -6.43261 -10.0464 -13.0337 13.5874 -14.7347 27.2288 TIMING: 118000 CPU: 351.922, 0.00301866/step Wall: 351.922, 0.00301866/step, 4.09363 hours remaining, 204.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 118000 731.6780 2104.0092 1965.4425 102.7962 -206495.6257 17907.7920 0.0000 0.0000 34225.8358 -149458.0719 298.9027 -183683.9077 -149352.0557 299.2854 -20.1280 9.0377 556750.5719 16.6207 16.4251 PRESSURE: 118200 -121.597 -92.3412 16.2786 -92.3405 -76.638 75.2962 16.2792 75.2952 -134.7 GPRESSURE: 118200 -136.988 -81.6808 150.717 -156.831 -47.9896 118.976 -22.3312 20.8971 -31.6991 PRESSAVG: 118200 5.99494 -37.4039 -7.99835 -37.4038 10.029 -17.0641 -7.99829 -17.0639 -7.00144 GPRESSAVG: 118200 5.66223 -37.9424 -6.56892 -37.7184 10.0087 -17.18 -9.5359 -15.1458 -6.43704 TIMING: 118200 CPU: 352.52, 0.00299195/step Wall: 352.52, 0.00299195/step, 4.05725 hours remaining, 204.480469 MB of memory in use. ENERGY: 118200 745.8486 2134.3274 1946.2319 110.6261 -206351.8589 17635.9020 0.0000 0.0000 34189.0833 -149589.8396 298.5818 -183778.9229 -149498.8420 298.8681 -110.9784 -72.2254 556553.1198 3.0075 3.0780 PRESSURE: 118400 -22.3848 -168.632 -107.901 -168.631 257.994 56.886 -107.9 56.8863 -241.882 GPRESSURE: 118400 -20.8517 -142.232 -111.751 -139.381 291.152 59.7644 -96.7965 73.5002 -195.059 PRESSAVG: 118400 -31.3219 -20.592 -59.4501 -20.5919 20.7396 10.0892 -59.4501 10.0892 -1.93487 GPRESSAVG: 118400 -30.2327 -19.6657 -59.2786 -21.6273 20.4947 11.9878 -61.2957 7.94448 -3.11628 TIMING: 118400 CPU: 353.114, 0.00296764/step Wall: 353.114, 0.00296764/step, 4.02412 hours remaining, 204.480469 MB of memory in use. ENERGY: 118400 721.7935 2109.5140 1932.2658 112.3314 -206632.9826 17957.9078 0.0000 0.0000 34361.4984 -149437.6717 300.0875 -183799.1701 -149343.4914 299.2266 -2.0908 25.0803 556701.3977 -4.1724 -4.2848 PRESSURE: 118600 -185.079 113.302 -47.8383 113.302 -193.719 100.205 -47.8376 100.205 -60.5316 GPRESSURE: 118600 -119.942 50.4726 3.24509 53.029 -138.928 62.6909 -205.803 117.729 -86.8826 PRESSAVG: 118600 15.6899 -49.6082 -64.1318 -49.6082 4.74018 7.60025 -64.1318 7.60019 8.81849 GPRESSAVG: 118600 15.3367 -50.8353 -63.7239 -49.3267 4.45498 8.28676 -62.5271 8.17868 10.2066 TIMING: 118600 CPU: 353.713, 0.00299418/step Wall: 353.713, 0.00299418/step, 4.05994 hours remaining, 204.480469 MB of memory in use. ENERGY: 118600 770.9060 2080.1724 1960.5477 110.4177 -206097.3914 17566.3704 0.0000 0.0000 34008.0117 -149600.9656 297.0004 -183608.9773 -149505.3421 298.4037 -146.4434 -115.2508 557231.9662 9.7495 9.9994 PRESSURE: 118800 -309.585 -90.4007 -31.6302 -90.4008 -254.842 -59.9376 -31.6304 -59.9384 279.087 GPRESSURE: 118800 -278.506 -81.8324 64.372 -57.9627 -208.018 -106.926 -10.7534 -12.8537 289.924 PRESSAVG: 118800 35.6118 -51.297 -57.3304 -51.2969 -19.6845 1.66405 -57.3304 1.66407 -30.4284 GPRESSAVG: 118800 35.7154 -49.6111 -57.8145 -52.0281 -18.5207 1.35661 -56.7128 0.746649 -32.1754 TIMING: 118800 CPU: 354.313, 0.00300322/step Wall: 354.313, 0.00300322/step, 4.07204 hours remaining, 204.480469 MB of memory in use. ENERGY: 118800 714.1638 2093.8294 1932.2613 117.0437 -206526.7438 17798.4206 0.0000 0.0000 34180.3771 -149690.6479 298.5057 -183871.0250 -149594.0400 298.4827 -95.1134 -65.5331 556892.4941 -4.8337 -4.9936 PRESSURE: 119000 -32.791 -51.5585 -100.032 -51.5571 -124.538 16.4011 -100.032 16.4015 223.863 GPRESSURE: 119000 -64.5479 -18.52 -25.4873 5.35832 -60.2528 1.52249 -157.915 117.094 284.19 PRESSAVG: 119000 -30.309 -26.1381 -56.3162 -26.1381 -14.5727 4.7585 -56.3161 4.75847 11.7158 GPRESSAVG: 119000 -31.0966 -27.6359 -54.7462 -24.4702 -14.8421 1.68102 -57.674 7.13267 12.7571 TIMING: 119000 CPU: 354.916, 0.00301549/step Wall: 354.916, 0.00301549/step, 4.0885 hours remaining, 204.480469 MB of memory in use. ENERGY: 119000 729.0282 2155.4074 1937.5344 112.6624 -207264.6549 18192.9393 0.0000 0.0000 34477.1551 -149659.9281 301.0976 -184137.0832 -149561.1937 298.6413 22.1778 53.1297 556541.4226 -11.0553 -11.0605 PRESSURE: 119200 -110.212 -184.697 -68.0053 -184.697 139.304 -39.453 -68.0044 -39.4522 96.2469 GPRESSURE: 119200 -34.4831 -124.914 -76.9056 -212.134 131.489 -125.596 -67.2555 -33.6486 128.082 PRESSAVG: 119200 -19.7345 31.3902 -4.93954 31.3903 1.42355 25.3423 -4.93955 25.3421 23.4645 GPRESSAVG: 119200 -18.824 33.1837 -7.9613 29.6761 0.852821 25.9935 -2.68049 25.1392 22.9936 TIMING: 119200 CPU: 355.519, 0.00301186/step Wall: 355.519, 0.00301186/step, 4.08341 hours remaining, 204.480469 MB of memory in use. ENERGY: 119200 735.4192 2089.8472 1942.3722 97.9742 -206717.4598 18014.4435 0.0000 0.0000 34241.5978 -149595.8057 299.0404 -183837.4035 -149499.3158 298.8751 41.7798 75.0293 556032.6399 1.7178 1.6741 PRESSURE: 119400 139.877 217.488 94.1953 217.489 25.9739 146.964 94.1959 146.964 82.5303 GPRESSURE: 119400 160.914 157.852 47.6086 193.119 88.8977 91.0911 142.071 143.404 105.55 PRESSAVG: 119400 -32.1265 -12.1239 13.7552 -12.1238 30.5222 45.6289 13.7553 45.6288 2.2179 GPRESSAVG: 119400 -33.417 -12.1613 16.5618 -9.97563 31.1645 48.3328 11.2125 44.2808 2.42106 TIMING: 119400 CPU: 356.116, 0.00298888/step Wall: 356.116, 0.00298888/step, 4.05209 hours remaining, 204.480469 MB of memory in use. ENERGY: 119400 696.1793 2113.4919 1911.7947 113.4439 -206502.4314 17894.2685 0.0000 0.0000 34016.0361 -149757.2171 297.0705 -183773.2531 -149661.6606 298.0946 82.7938 118.4541 555250.1397 0.2045 0.0562 PRESSURE: 119600 -142.814 -33.1892 4.07034 -33.1899 -48.4532 -8.3399 4.06955 -8.33896 -267.914 GPRESSURE: 119600 -68.4849 -45.8093 54.1774 -22.9829 -6.57916 -3.9744 -30.4853 46.2601 -281.313 PRESSAVG: 119600 -47.0948 35.0376 -88.8505 35.0376 -18.203 34.1934 -88.8505 34.1935 55.8133 GPRESSAVG: 119600 -45.4516 35.2149 -89.2945 33.5146 -18.2989 32.1169 -89.2941 35.6549 54.4832 TIMING: 119600 CPU: 356.719, 0.00301329/step Wall: 356.719, 0.00301329/step, 4.08502 hours remaining, 204.480469 MB of memory in use. ENERGY: 119600 779.1161 2123.3718 1936.1100 126.1506 -206485.8016 17665.1617 0.0000 0.0000 34187.7171 -149668.1743 298.5698 -183855.8915 -149572.9087 298.5276 -153.0606 -118.7925 556297.0321 -3.1615 -3.0891 PRESSURE: 119800 1.43302 49.2116 -91.0139 49.2127 -13.258 40.5379 -91.0144 40.5373 86.0074 GPRESSURE: 119800 25.2597 14.5765 -115.177 66.1444 52.5016 35.4963 -68.5229 -0.826775 96.8195 PRESSAVG: 119800 -14.3139 14.735 -55.6804 14.735 -13.9647 40.2424 -55.6804 40.2424 25.2013 GPRESSAVG: 119800 -14.1532 13.223 -55.6319 16.5812 -13.9905 40.331 -55.0831 40.3359 25.1594 TIMING: 119800 CPU: 357.321, 0.00301165/step Wall: 357.321, 0.00301165/step, 4.08262 hours remaining, 204.480469 MB of memory in use. ENERGY: 119800 708.2072 2066.6877 1921.7846 113.6544 -206258.9289 17906.2927 0.0000 0.0000 34036.0752 -149506.2272 297.2455 -183542.3023 -149412.4954 299.1762 24.7275 58.1936 557032.9380 -1.0258 -0.9948 PRESSURE: 120000 -391.763 -106.122 182.342 -106.121 -268.136 -33.1972 182.341 -33.1972 -58.9643 GPRESSURE: 120000 -393.097 -22.2378 191.88 -142.172 -180.832 -33.1342 169.795 -11.4059 -59.0659 PRESSAVG: 120000 8.04273 -3.26044 17.1064 -3.26047 -36.6389 10.1161 17.1064 10.116 -4.04124 GPRESSAVG: 120000 6.66061 -3.05173 17.2511 -4.13359 -35.6221 10.3229 16.2488 9.90113 -3.48567 TIMING: 120000 CPU: 357.919, 0.00298851/step Wall: 357.919, 0.00298851/step, 4.05109 hours remaining, 204.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 120000 773.4087 2109.2133 1940.1538 100.2595 -206124.5891 17518.2481 0.0000 0.0000 34173.8387 -149509.4670 298.4486 -183683.3056 -149406.3415 298.3407 -239.6211 -210.9984 556902.6162 -10.8791 -10.8157 PRESSURE: 120200 -23.4151 -144.793 -26.0767 -144.793 -60.1036 131.963 -26.0754 131.964 44.1152 GPRESSURE: 120200 34.9621 -171.632 -125.771 -121.74 -58.9692 53.1909 47.6392 135.266 88.1507 PRESSAVG: 120200 -89.5768 -1.50738 -52.8354 -1.50735 19.4556 5.87981 -52.8353 5.87972 62.7915 GPRESSAVG: 120200 -88.1475 -1.53071 -54.5329 -0.406521 19.8213 6.61881 -51.338 5.18175 61.4262 TIMING: 120200 CPU: 358.514, 0.00297478/step Wall: 358.514, 0.00297478/step, 4.03232 hours remaining, 204.480469 MB of memory in use. ENERGY: 120200 752.6186 2042.9631 1935.8808 105.9879 -206527.9896 18037.2290 0.0000 0.0000 34241.5181 -149411.7920 299.0397 -183653.3101 -149318.6585 298.4669 -13.1345 21.3812 557306.3468 -2.4432 -2.3000 LDB: ============= START OF LOAD BALANCING ============== 362.06 LDB: ============== END OF LOAD BALANCING =============== 362.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 362.062 LDB: ============= START OF LOAD BALANCING ============== 362.36 LDB: Largest compute 4795 load 0.027196 is 23.0% of average load 0.118026 LDB: Average compute 0.001729 is 1.5% of average load 0.118026 LDB: TIME 362.363 LOAD: AVG 0.118026 MAX 0.212287 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.137 MB LDB: TIME 362.363 LOAD: AVG 0.118026 MAX 0.212287 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.137 MB LDB: TIME 362.363 LOAD: AVG 0.118026 MAX 0.212287 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.137 MB LDB: ============== END OF LOAD BALANCING =============== 362.365 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 362.369 PRESSURE: 120400 83.641 -41.2267 61.0718 -41.2269 97.0019 -122.875 61.0716 -122.874 -223.191 GPRESSURE: 120400 89.5592 38.5366 -4.56029 -53.8388 151.403 -148.804 98.6106 -95.8702 -184.519 PRESSAVG: 120400 -11.0604 -18.0486 -36.5108 -18.0486 -40.6569 -82.1699 -36.5108 -82.1699 39.6098 GPRESSAVG: 120400 -11.5778 -15.53 -36.5155 -19.8139 -42.8392 -82.3381 -35.6702 -80.7269 42.0341 TIMING: 120400 CPU: 359.119, 0.00302598/step Wall: 359.119, 0.00302598/step, 4.10155 hours remaining, 204.113281 MB of memory in use. ENERGY: 120400 758.6779 2089.9351 1929.6112 112.6562 -205979.6044 17760.3060 0.0000 0.0000 34026.6990 -149301.7189 297.1636 -183328.4179 -149209.6556 298.5820 -14.1828 18.8146 557986.2131 -4.0358 -4.1276 PRESSURE: 120600 -230.309 193.927 -74.6384 193.927 -117.79 -35.7897 -74.6379 -35.7892 -245.383 GPRESSURE: 120600 -195.613 255.896 -38.5425 140.886 -82.4633 -58.4764 -49.8467 -30.8487 -193.678 PRESSAVG: 120600 -30.135 -12.0992 -7.06193 -12.0992 -1.29347 -20.6584 -7.06197 -20.6583 63.0152 GPRESSAVG: 120600 -30.2674 -12.0674 -5.93349 -11.8468 -0.0433041 -20.4627 -7.83215 -21.6286 62.1366 TIMING: 120600 CPU: 359.718, 0.00299212/step Wall: 359.718, 0.00299212/step, 4.05549 hours remaining, 204.371094 MB of memory in use. ENERGY: 120600 783.6045 2107.7360 1937.2864 118.6715 -205873.0777 17467.5754 0.0000 0.0000 34203.5824 -149254.6214 298.7084 -183458.2038 -149165.7351 298.9908 -197.8274 -157.2516 558110.2635 10.5289 10.6086 PRESSURE: 120800 257.356 181.233 -17.289 181.233 35.2746 66.0297 -17.2889 66.0296 54.0421 GPRESSURE: 120800 245.758 232.882 13.967 146.782 138.539 0.239324 -38.4029 32.8018 47.8209 PRESSAVG: 120800 -13.3509 17.0876 42.3516 17.0876 -33.2831 -25.1749 42.3515 -25.1749 39.6089 GPRESSAVG: 120800 -13.3333 15.4662 43.9619 16.089 -32.6418 -26.8344 40.6774 -25.068 39.6047 TIMING: 120800 CPU: 360.317, 0.00299526/step Wall: 360.317, 0.00299526/step, 4.05958 hours remaining, 204.371094 MB of memory in use. ENERGY: 120800 719.6096 2080.7553 1939.8055 127.8360 -206429.9332 17978.9007 0.0000 0.0000 34303.6033 -149279.4227 299.5819 -183583.0260 -149182.1835 299.0414 115.5576 144.0394 557041.6810 -2.3417 -2.1235 PRESSURE: 121000 -6.5141 -71.5442 -104.946 -71.5434 474.352 79.9064 -104.946 79.9069 257.685 GPRESSURE: 121000 23.7316 58.7553 -71.1813 -176.719 472.369 -4.4227 -64.0417 115.442 334.786 PRESSAVG: 121000 -3.33529 14.5986 -37.3266 14.5987 25.4851 -1.00895 -37.3267 -1.00895 -7.1536 GPRESSAVG: 121000 -2.40136 15.6337 -36.6842 14.9782 24.906 0.0813615 -36.46 -1.31155 -7.49412 TIMING: 121000 CPU: 360.917, 0.00300282/step Wall: 360.917, 0.00300282/step, 4.06965 hours remaining, 204.425781 MB of memory in use. ENERGY: 121000 716.5036 2128.8713 1915.9587 97.8023 -206827.7763 18238.8343 0.0000 0.0000 34412.2133 -149317.5927 300.5304 -183729.8060 -149221.8530 298.5264 241.8409 276.9624 555546.3948 4.9987 5.0035 PRESSURE: 121200 -486.495 -109.849 -80.1465 -109.848 -237.917 -103.531 -80.1459 -103.532 -210.016 GPRESSURE: 121200 -403.008 -137.193 -82.1583 -126.619 -283.939 -72.1479 -7.70792 -154.88 -141.28 PRESSAVG: 121200 48.9805 1.46661 72.6534 1.46668 -2.22503 -61.6217 72.6535 -61.6217 -18.1675 GPRESSAVG: 121200 49.1032 2.08524 71.2108 1.47316 -2.11316 -61.8132 73.7384 -61.2756 -18.1829 TIMING: 121200 CPU: 361.513, 0.00297644/step Wall: 361.513, 0.00297644/step, 4.03374 hours remaining, 204.425781 MB of memory in use. ENERGY: 121200 739.8982 2018.1912 1943.4134 117.6434 -205594.4467 17342.3260 0.0000 0.0000 34033.0050 -149399.9696 297.2187 -183432.9746 -149301.5744 298.6617 -311.4760 -276.0759 557446.2612 9.5293 9.6024 PRESSURE: 121400 -96.6978 -182.172 -50.9813 -182.174 161.293 -54.9415 -50.9812 -54.9418 252.39 GPRESSURE: 121400 -55.0006 -172.209 -114.829 -173.318 222.197 -37.4169 36.2253 -42.0547 247.501 PRESSAVG: 121400 -95.7264 -2.72236 34.4017 -2.72245 58.3728 -66.4979 34.4016 -66.4979 39.9205 GPRESSAVG: 121400 -96.3707 -5.47004 34.8009 -1.68465 58.4489 -65.8957 31.7862 -67.0293 40.4946 TIMING: 121400 CPU: 362.105, 0.00296305/step Wall: 362.105, 0.00296305/step, 4.01543 hours remaining, 204.425781 MB of memory in use. ENERGY: 121400 747.0747 2129.3804 1914.8957 113.4637 -206402.8811 18043.6363 0.0000 0.0000 34176.0537 -149278.3766 298.4680 -183454.4303 -149174.8923 299.3692 105.6616 138.2326 556576.6012 0.8557 0.8576 PRESSURE: 121600 -191.507 9.37467 52.6301 9.37364 -27.4167 -34.4691 52.6309 -34.4695 -202.277 GPRESSURE: 121600 -133.971 6.79215 27.2568 13.8661 -54.9451 -6.5222 77.5615 -31.0157 -148.171 PRESSAVG: 121600 -39.6039 -24.0095 9.79856 -24.0094 39.0151 -2.89029 9.79853 -2.89027 -23.3067 GPRESSAVG: 121600 -39.5006 -20.6597 8.72774 -25.9446 39.9732 -3.24454 10.0266 -4.19266 -23.7602 TIMING: 121600 CPU: 362.701, 0.002978/step Wall: 362.701, 0.002978/step, 4.03552 hours remaining, 204.425781 MB of memory in use. ENERGY: 121600 741.3920 2087.3377 1929.2599 109.0882 -206062.1080 17695.8719 0.0000 0.0000 34064.3234 -149434.8348 297.4922 -183499.1582 -149332.9996 299.1748 -140.4003 -112.3624 557098.4026 -7.9652 -7.7625 PRESSURE: 121800 55.9659 218.904 141.124 218.905 -95.5924 -177.023 141.124 -177.021 -105.708 GPRESSURE: 121800 100.399 187.751 82.5277 144.935 -19.2143 -151.075 107.039 -167.347 -140.179 PRESSAVG: 121800 33.2506 -19.3664 6.70632 -19.3664 -9.85208 -64.1333 6.7063 -64.1333 -27.0769 GPRESSAVG: 121800 33.6425 -21.3792 7.68098 -18.6959 -11.1916 -64.5604 8.44426 -62.6345 -25.9927 TIMING: 121800 CPU: 363.294, 0.00296816/step Wall: 363.294, 0.00296817/step, 4.02203 hours remaining, 204.425781 MB of memory in use. ENERGY: 121800 757.9214 2152.7610 1953.5402 114.8990 -206700.6656 17882.6641 0.0000 0.0000 34360.3384 -149478.5416 300.0774 -183838.8799 -149383.5087 298.5337 -48.4450 -19.6647 557241.0199 -1.2261 -1.1806 PRESSURE: 122000 -191.31 42.1883 -160.723 42.187 -137.95 -64.4844 -160.725 -64.4852 -577.484 GPRESSURE: 122000 -202.506 -1.5926 -197.806 87.2782 -110.987 -35.3595 -100.682 -150.74 -500.346 PRESSAVG: 122000 52.0928 -22.4292 0.461912 -22.4292 40.6477 -47.2193 0.461848 -47.2193 -70.4677 GPRESSAVG: 122000 52.4004 -21.2994 0.944689 -21.5351 40.9972 -46.727 -2.24932 -49.2325 -70.4317 TIMING: 122000 CPU: 363.887, 0.00296459/step Wall: 363.887, 0.00296459/step, 4.01702 hours remaining, 204.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 122000 762.5861 2088.1280 1958.4452 117.2145 -206014.2621 17303.7650 0.0000 0.0000 34285.6178 -149498.5055 299.4248 -183784.1233 -149401.7869 298.5433 -302.2480 -271.2798 557326.4109 7.4242 7.6553 PRESSURE: 122200 32.4107 -65.5263 -53.9091 -65.5265 71.2837 -87.42 -53.9095 -87.4215 -27.178 GPRESSURE: 122200 59.8 -42.3569 -66.6769 -96.7304 43.9288 -96.1393 19.0768 -98.0278 69.3084 PRESSAVG: 122200 -10.8737 -10.4749 34.6088 -10.4749 5.84898 -16.9158 34.6088 -16.9157 -5.25747 GPRESSAVG: 122200 -10.647 -10.223 33.6804 -12.5858 4.56173 -17.6798 34.8121 -17.1428 -4.61528 TIMING: 122200 CPU: 364.483, 0.00298055/step Wall: 364.483, 0.00298055/step, 4.03848 hours remaining, 204.425781 MB of memory in use. ENERGY: 122200 725.2217 2035.1258 1947.8146 119.0332 -206476.3401 17787.8040 0.0000 0.0000 34329.8584 -149531.4825 299.8112 -183861.3409 -149428.1123 298.7408 25.5055 57.6791 556327.8504 -3.4274 -3.5668 PRESSURE: 122400 -67.8445 -165.746 62.2646 -165.745 251.732 38.0707 62.2654 38.0717 141.012 GPRESSURE: 122400 -49.5078 -153.871 21.6037 -150.744 352.963 -27.4874 85.0041 83.4042 113.01 PRESSAVG: 122400 16.7572 -20.1589 13.5232 -20.1589 -21.8313 -16.8281 13.5232 -16.8281 50.0958 GPRESSAVG: 122400 17.3843 -19.3371 11.4979 -20.1881 -20.0266 -17.7284 14.9926 -15.0193 48.5442 TIMING: 122400 CPU: 365.077, 0.00296841/step Wall: 365.077, 0.00296841/step, 4.02187 hours remaining, 204.425781 MB of memory in use. ENERGY: 122400 776.3055 2093.8984 1950.3186 112.9402 -206648.1723 17940.0430 0.0000 0.0000 34378.2679 -149396.3987 300.2340 -183774.6666 -149303.0794 299.4971 108.2998 138.8217 556262.5881 15.0072 15.3006 PRESSURE: 122600 -22.3297 -54.1158 -93.3292 -54.1153 88.9632 -86.4451 -93.3281 -86.4453 7.52269 GPRESSURE: 122600 19.7114 -22.8867 -119.416 -37.2671 106.729 -50.8785 -95.3807 -51.4638 40.1992 PRESSAVG: 122600 -0.93716 -0.986213 18.6806 -0.986243 10.465 -24.9688 18.6806 -24.9687 -4.36624 GPRESSAVG: 122600 -3.05594 -2.20698 19.4229 1.62527 10.9725 -23.2358 18.1419 -25.0018 -3.35041 TIMING: 122600 CPU: 365.671, 0.00297149/step Wall: 365.671, 0.00297149/step, 4.02588 hours remaining, 204.425781 MB of memory in use. ENERGY: 122600 773.0143 2140.9671 1939.3192 119.6872 -206101.6681 17808.9076 0.0000 0.0000 33987.9259 -149331.8468 296.8250 -183319.7727 -149241.9184 299.4850 24.7187 55.5465 556859.8609 1.7205 1.5221 PRESSURE: 122800 -94.2283 -82.0443 -115.208 -82.0432 -135.43 -14.5927 -115.208 -14.5915 -141.662 GPRESSURE: 122800 -64.2483 -73.8862 -89.3192 -28.5474 -153.381 -65.9364 -107.284 29.4436 -50.7682 PRESSAVG: 122800 -50.8204 1.25678 -31.4118 1.25682 34.522 21.649 -31.4119 21.6489 -21.531 GPRESSAVG: 122800 -50.2082 2.36198 -31.1107 1.46179 32.6458 22.1793 -32.4733 22.8577 -19.8278 TIMING: 122800 CPU: 366.266, 0.00297459/step Wall: 366.266, 0.00297459/step, 4.02991 hours remaining, 204.425781 MB of memory in use. ENERGY: 122800 761.2393 2020.3613 1959.6175 106.2642 -206056.1667 17497.9181 0.0000 0.0000 34203.2215 -149507.5448 298.7052 -183710.7663 -149415.8503 298.6892 -123.7733 -89.4658 556896.6145 -12.6098 -12.4634 PRESSURE: 123000 -125.316 -119.041 -189.05 -119.04 -119.919 54.7229 -189.049 54.7221 -250.366 GPRESSURE: 123000 -100.954 -114.728 -242.789 -159.206 -48.2899 5.71566 -235.475 22.2913 -244.432 PRESSAVG: 123000 29.1299 0.762025 -6.62094 0.762029 42.6154 -12.7502 -6.62089 -12.7502 -54.3908 GPRESSAVG: 123000 29.6008 -0.878468 -4.95249 0.355532 44.5717 -14.7045 -6.98591 -13.2339 -56.8115 TIMING: 123000 CPU: 366.862, 0.00297769/step Wall: 366.862, 0.00297769/step, 4.03395 hours remaining, 204.425781 MB of memory in use. ENERGY: 123000 778.9007 2015.4329 1969.0749 107.1075 -206091.3215 17564.8067 0.0000 0.0000 34094.6490 -149561.3498 297.7570 -183655.9988 -149462.8166 297.8114 -165.2002 -131.2252 556764.5339 5.7848 5.7870 PRESSURE: 123200 248.941 144.146 117.57 144.147 -19.4873 23.3881 117.57 23.3884 136.958 GPRESSURE: 123200 269.602 220.692 13.0313 186.782 46.1832 13.0657 191.133 34.6964 151.348 PRESSAVG: 123200 -23.7972 1.03385 -12.2477 1.0339 27.1971 -12.3952 -12.2477 -12.3953 -13.7275 GPRESSAVG: 123200 -24.7753 3.90273 -13.3513 -0.0307143 25.3278 -11.5535 -13.7684 -12.4143 -11.2688 TIMING: 123200 CPU: 367.459, 0.00298298/step Wall: 367.459, 0.00298298/step, 4.04095 hours remaining, 204.425781 MB of memory in use. ENERGY: 123200 746.5109 2086.7655 1948.5606 108.7518 -206573.6281 17867.9560 0.0000 0.0000 34379.7700 -149435.3133 300.2471 -183815.0833 -149336.2868 298.5756 122.1372 155.7111 555520.7764 -3.4425 -3.5721 PRESSURE: 123400 -143.647 -187.634 -49.2079 -187.634 163.824 -72.6075 -49.2092 -72.6086 -122.653 GPRESSURE: 123400 -74.7079 -193.572 -12.7503 -157.466 177.738 -9.91652 -75.624 84.1628 -102.085 PRESSAVG: 123400 -61.7674 -3.98422 -40.8437 -3.98415 33.7264 -22.1618 -40.8438 -22.1617 23.986 GPRESSAVG: 123400 -60.3838 -4.01414 -40.278 -3.5088 33.19 -22.0052 -38.8355 -22.8982 23.0864 TIMING: 123400 CPU: 368.051, 0.00296131/step Wall: 368.051, 0.00296131/step, 4.01143 hours remaining, 204.425781 MB of memory in use. ENERGY: 123400 764.1386 2073.5221 1947.5526 114.6534 -206164.1642 17726.4292 0.0000 0.0000 34165.8498 -149372.0185 298.3789 -183537.8683 -149270.7783 298.9780 -34.1587 0.3151 556282.0049 -1.3517 -1.3691 PRESSURE: 123600 -71.9005 -28.3525 -117.618 -28.352 -121.469 -114.215 -117.619 -114.216 129.73 GPRESSURE: 123600 -48.0621 -38.6219 -170.293 65.5152 -73.6123 -87.8896 -98.8897 -60.7826 147.766 PRESSAVG: 123600 11.3719 42.2869 5.10575 42.287 9.74056 -31.3879 5.10577 -31.388 -15.2254 GPRESSAVG: 123600 10.3175 41.8803 5.11827 42.4885 12.1649 -31.8347 4.16591 -32.9577 -17.1346 TIMING: 123600 CPU: 368.645, 0.00297228/step Wall: 368.645, 0.00297228/step, 4.02612 hours remaining, 204.425781 MB of memory in use. ENERGY: 123600 738.4024 2097.0729 1932.1578 117.9153 -205969.3789 17604.4250 0.0000 0.0000 34041.0960 -149438.3095 297.2894 -183479.4055 -149340.6607 298.8141 -21.2132 8.6973 556952.8955 1.9624 1.7826 PRESSURE: 123800 -111.798 -220.433 -42.791 -220.433 -216.09 -179.241 -42.79 -179.241 -23.8902 GPRESSURE: 123800 -19.2652 -234.807 -53.9527 -176.814 -180.335 -151.43 -62.9652 -205.639 -47.3136 PRESSAVG: 123800 7.46668 9.39923 -41.2555 9.39927 2.27727 0.468565 -41.2556 0.468586 22.2211 GPRESSAVG: 123800 7.2904 8.64413 -41.6661 8.86628 0.208517 0.343722 -41.8726 1.04388 24.0395 TIMING: 123800 CPU: 369.248, 0.0030159/step Wall: 369.248, 0.0030159/step, 4.08504 hours remaining, 204.425781 MB of memory in use. ENERGY: 123800 737.1224 2087.5965 1929.3883 112.3595 -205957.5850 17546.5396 0.0000 0.0000 34024.6898 -149519.8887 297.1461 -183544.5786 -149420.8923 298.3976 -117.2593 -82.3048 557917.3791 10.6550 10.5128 PRESSURE: 124000 40.5281 -56.2984 -62.2694 -56.2972 -42.906 -101.411 -62.2686 -101.41 8.68705 GPRESSURE: 124000 59.6506 -97.3693 -21.7329 -17.6443 -4.71522 -103.431 -77.1962 -20.0331 56.1526 PRESSAVG: 124000 -10.961 -64.2849 -30.2812 -64.2849 -0.0326417 -52.7427 -30.2811 -52.7426 -21.2151 GPRESSAVG: 124000 -8.98075 -63.958 -29.9846 -60.7984 -0.0378363 -51.8592 -28.8306 -53.9656 -22.5772 TIMING: 124000 CPU: 369.852, 0.0030187/step Wall: 369.852, 0.0030187/step, 4.08867 hours remaining, 204.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 124000 738.8755 2136.1000 1922.4875 109.9857 -206571.5678 17889.4673 0.0000 0.0000 34247.7110 -149526.9409 299.0938 -183774.6518 -149434.1741 297.5139 2.1031 37.0293 556421.7985 -10.7362 -10.5319 PRESSURE: 124200 154.485 222.398 16.3644 222.399 63.134 21.22 16.3642 21.2209 126.262 GPRESSURE: 124200 206.197 196.509 -67.54 231.738 65.3742 -5.65543 48.5703 75.1978 174.872 PRESSAVG: 124200 58.5597 -27.0455 -37.723 -27.0455 34.0285 -15.793 -37.723 -15.793 -25.7114 GPRESSAVG: 124200 58.3224 -26.6662 -37.7621 -27.4909 33.4966 -16.7384 -38.3822 -13.4763 -24.3672 TIMING: 124200 CPU: 370.451, 0.002995/step Wall: 370.451, 0.002995/step, 4.0564 hours remaining, 204.425781 MB of memory in use. ENERGY: 124200 752.6146 2049.9317 1953.4582 115.7605 -206884.3325 18114.5151 0.0000 0.0000 34493.5617 -149404.4906 301.2409 -183898.0523 -149297.9158 298.8268 114.6271 148.8145 555440.6126 22.2923 22.4839 LDB: ============= START OF LOAD BALANCING ============== 374.002 LDB: ============== END OF LOAD BALANCING =============== 374.002 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 374.003 LDB: ============= START OF LOAD BALANCING ============== 374.302 LDB: Largest compute 4795 load 0.027774 is 23.5% of average load 0.118030 LDB: Average compute 0.001724 is 1.5% of average load 0.118030 LDB: TIME 374.304 LOAD: AVG 0.11803 MAX 0.209939 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.137 MB LDB: TIME 374.305 LOAD: AVG 0.11803 MAX 0.209939 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.34 MB LDB: TIME 374.305 LOAD: AVG 0.11803 MAX 0.209939 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.34 MB LDB: ============== END OF LOAD BALANCING =============== 374.306 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 374.311 PRESSURE: 124400 -234.99 -175.908 9.52037 -175.907 18.6072 61.484 9.52022 61.4843 60.7148 GPRESSURE: 124400 -188.347 -161.018 -35.9096 -158.248 32.3976 18.3361 -9.93492 76.9828 95.2389 PRESSAVG: 124400 -33.318 -28.8093 0.0606749 -28.8093 63.6504 -85.4227 0.0607423 -85.4228 -31.521 GPRESSAVG: 124400 -33.564 -29.589 0.853877 -29.2724 63.782 -84.6283 -0.381618 -87.247 -30.8884 TIMING: 124400 CPU: 371.061, 0.00304734/step Wall: 371.061, 0.00304734/step, 4.12712 hours remaining, 206.128906 MB of memory in use. ENERGY: 124400 784.8007 2104.1547 1932.0821 118.9105 -206399.0616 17698.4913 0.0000 0.0000 34307.2386 -149453.3837 299.6136 -183760.6223 -149355.2542 299.5900 -51.8893 -20.2368 556422.2149 -0.3962 -0.2235 PRESSURE: 124600 -280.147 -99.0533 -21.1967 -99.0526 -241.634 -16.2048 -21.1963 -16.2042 99.2372 GPRESSURE: 124600 -232.697 -88.1564 -14.5168 -124.909 -223.696 -39.4665 -22.6479 26.0917 129.504 PRESSAVG: 124600 32.6957 12.0701 -23.0007 12.0702 41.4556 5.595 -23.0007 5.59517 -6.70476 GPRESSAVG: 124600 33.1591 12.61 -21.8452 10.0372 42.8063 5.71089 -25.5544 8.32434 -8.35727 TIMING: 124600 CPU: 371.662, 0.00300529/step Wall: 371.662, 0.00300529/step, 4.07 hours remaining, 206.339844 MB of memory in use. ENERGY: 124600 758.8310 2113.4399 1925.8712 104.0083 -206109.5292 17566.4465 0.0000 0.0000 34225.2059 -149415.7266 298.8972 -183640.9325 -149319.6155 299.8209 -140.8479 -108.9629 557963.9878 22.4822 22.5361 PRESSURE: 124800 255.69 -69.7857 -91.0667 -69.7853 -220.948 -150.767 -91.0675 -150.765 49.708 GPRESSURE: 124800 231.18 -69.0722 -97.1112 -40.453 -111.442 -168.544 -106.328 -160.22 70.0751 PRESSAVG: 124800 8.84306 -16.5328 -6.71634 -16.5329 -21.8286 -61.7325 -6.71636 -61.7325 6.58989 GPRESSAVG: 124800 8.15971 -15.9423 -8.72936 -15.4081 -22.3027 -61.166 -3.89543 -62.6367 8.1058 TIMING: 124800 CPU: 372.262, 0.00300175/step Wall: 372.262, 0.00300175/step, 4.06504 hours remaining, 206.339844 MB of memory in use. ENERGY: 124800 723.5205 2115.5077 1928.1433 122.3038 -205835.9280 17515.8483 0.0000 0.0000 34186.4159 -149244.1885 298.5585 -183430.6044 -149148.5089 298.9511 28.1499 63.2710 557296.7236 -2.1319 -2.0124 PRESSURE: 125000 -128.431 26.8645 -50.7554 26.8648 106.798 32.3707 -50.7553 32.3735 18.7693 GPRESSURE: 125000 -106.097 -50.0471 -41.9847 21.3679 143.539 39.5988 -37.1796 107.439 57.3755 PRESSAVG: 125000 -62.3699 1.44661 -30.2699 1.44671 -0.175221 -46.6237 -30.2699 -46.6237 55.8141 GPRESSAVG: 125000 -62.2997 0.149609 -28.8149 0.357399 -0.494091 -47.919 -30.2701 -47.9261 56.3062 TIMING: 125000 CPU: 372.861, 0.00299306/step Wall: 372.861, 0.00299306/step, 4.0531 hours remaining, 206.339844 MB of memory in use. ENERGY: 125000 750.0835 2048.3514 1925.7535 112.1816 -205846.7865 17655.1008 0.0000 0.0000 34097.5699 -149257.7458 297.7826 -183355.3158 -149159.0998 299.4072 -0.9547 31.6059 557569.2897 -2.2437 -2.1625 PRESSURE: 125200 -98.1047 -31.0162 98.1231 -31.0168 -336.32 -45.7412 98.124 -45.7422 174.345 GPRESSURE: 125200 -89.9369 -67.4447 23.7192 44.2586 -305.084 -18.0619 206.852 -69.2245 228.792 PRESSAVG: 125200 -45.5708 -44.4439 -50.2552 -44.444 42.797 -24.9875 -50.2553 -24.9875 -22.8201 GPRESSAVG: 125200 -45.7795 -43.7503 -49.7846 -44.3817 43.9362 -23.3723 -52.2819 -24.9283 -23.8205 TIMING: 125200 CPU: 373.459, 0.0029914/step Wall: 373.459, 0.0029914/step, 4.05068 hours remaining, 206.339844 MB of memory in use. ENERGY: 125200 766.4028 2082.7490 1952.7887 113.7281 -206316.1730 17797.9025 0.0000 0.0000 34327.6000 -149275.0019 299.7915 -183602.6019 -149181.4802 298.6490 -86.6934 -55.4097 558338.4553 -8.5313 -8.5546 PRESSURE: 125400 -72.4922 -90.0262 -4.28976 -90.0252 -27.3891 21.6364 -4.29072 21.6374 -101.16 GPRESSURE: 125400 -29.631 -56.3671 -123.257 -11.0051 -5.06319 24.2994 31.5337 -69.6468 -80.911 PRESSAVG: 125400 -31.5342 -6.0387 -26.6456 -6.03872 45.941 11.6967 -26.6456 11.6966 -21.7292 GPRESSAVG: 125400 -30.2256 -6.77583 -30.5684 -5.16539 44.6251 12.5203 -23.5759 11.4339 -22.0279 TIMING: 125400 CPU: 374.061, 0.00301094/step Wall: 374.061, 0.00301094/step, 4.07697 hours remaining, 206.339844 MB of memory in use. ENERGY: 125400 736.5879 2099.8233 1938.3143 119.5164 -206127.5142 17855.5192 0.0000 0.0000 34254.6157 -149123.1375 299.1541 -183377.7531 -149033.9336 299.1540 -67.0137 -38.5351 558305.6206 -2.4408 -2.5428 PRESSURE: 125600 -21.8096 110.279 -202.191 110.279 -238.604 -34.0816 -202.192 -34.0809 112.438 GPRESSURE: 125600 40.1247 9.25116 -117.762 184.994 -202.474 8.31321 -193.536 -13.2047 106.015 PRESSAVG: 125600 -54.6534 44.789 -20.6696 44.7891 45.2155 38.5067 -20.6696 38.5067 27.2727 GPRESSAVG: 125600 -55.7417 44.7156 -15.3992 44.5652 45.2471 36.4532 -21.6029 40.4434 27.9024 TIMING: 125600 CPU: 374.666, 0.00302468/step Wall: 374.666, 0.00302468/step, 4.09541 hours remaining, 206.339844 MB of memory in use. ENERGY: 125600 759.8839 2085.9541 1918.1054 93.7938 -206346.4972 17889.0850 0.0000 0.0000 34199.4461 -149400.2289 298.6723 -183599.6750 -149300.6194 298.6207 -49.3251 -18.7782 557653.5840 5.9449 5.8026 PRESSURE: 125800 -143.176 37.6193 92.2101 37.6201 -292.239 93.1961 92.2108 93.1971 148.466 GPRESSURE: 125800 -117.394 -0.524734 121.456 10.871 -236.085 85.5339 46.2066 57.8226 152.055 PRESSAVG: 125800 -2.68994 18.0931 -26.3536 18.0931 -27.5676 5.53157 -26.3537 5.53153 27.9298 GPRESSAVG: 125800 -2.67843 17.543 -28.5272 17.5861 -26.321 4.61226 -26.187 3.96145 26.5112 TIMING: 125800 CPU: 375.264, 0.00299014/step Wall: 375.264, 0.00299014/step, 4.04848 hours remaining, 206.339844 MB of memory in use. ENERGY: 125800 743.8352 2074.7591 1917.1305 116.9125 -206204.8573 17744.6745 0.0000 0.0000 34256.9132 -149350.6324 299.1741 -183607.5456 -149251.1786 298.4519 -95.6494 -67.1411 557956.0796 -0.7759 -0.8294 PRESSURE: 126000 253.127 49.8064 -110.379 49.807 60.9997 -78.9286 -110.378 -78.9297 -15.0368 GPRESSURE: 126000 366.8 47.791 -115.047 52.9813 120.398 -177.056 -76.0251 -38.3976 -95.1587 PRESSAVG: 126000 -10.2168 26.412 -18.8326 26.412 12.939 5.57078 -18.8326 5.57089 42.2744 GPRESSAVG: 126000 -10.8828 25.0771 -18.885 28.7599 12.8129 7.97879 -17.5823 5.81331 42.5883 TIMING: 126000 CPU: 375.856, 0.00295983/step Wall: 375.856, 0.00295983/step, 4.00728 hours remaining, 206.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 126000 739.8837 2109.6278 1907.2052 101.5766 -206381.0704 17893.4606 0.0000 0.0000 34492.7597 -149136.5567 301.2338 -183629.3165 -149044.8139 299.9182 99.6965 130.6797 556789.2605 14.9989 14.8394 PRESSURE: 126200 179.526 41.163 -69.8522 41.163 122.403 -78.9252 -69.8529 -78.925 96.7602 GPRESSURE: 126200 156.134 -30.2341 -25.1334 89.6308 170.512 -110.636 -88.8664 -82.1675 153.321 PRESSAVG: 126200 -69.3667 41.5215 -14.682 41.5214 -48.9338 14.175 -14.6819 14.1751 63.4102 GPRESSAVG: 126200 -69.5776 44.0772 -13.1712 40.4368 -48.1774 15.0241 -17.57 12.3483 62.5923 TIMING: 126200 CPU: 376.455, 0.00299543/step Wall: 376.455, 0.00299543/step, 4.05532 hours remaining, 206.339844 MB of memory in use. ENERGY: 126200 680.6878 2099.4537 1943.2847 111.3227 -206259.9971 17958.9181 0.0000 0.0000 34137.4192 -149328.9108 298.1306 -183466.3300 -149237.0341 299.2324 132.8963 159.9891 558767.0348 -18.2968 -18.3876 PRESSURE: 126400 -137.614 -74.0967 -62.855 -74.0975 -360.436 -36.0696 -62.8542 -36.0714 -262.061 GPRESSURE: 126400 -149.916 -24.062 -50.0041 -78.0448 -308.384 -74.1349 -50.4788 3.03679 -213.74 PRESSAVG: 126400 49.9157 -31.0483 3.85306 -31.0483 -100.416 55.0716 3.85305 55.0716 27.0798 GPRESSAVG: 126400 49.588 -33.2488 1.77342 -31.9713 -101.974 50.9547 5.25689 57.167 28.6469 TIMING: 126400 CPU: 377.054, 0.00299542/step Wall: 377.054, 0.00299542/step, 4.05513 hours remaining, 206.339844 MB of memory in use. ENERGY: 126400 755.1371 2096.4143 1943.3663 107.9432 -206206.4937 17635.8757 0.0000 0.0000 34259.7533 -149408.0037 299.1989 -183667.7570 -149310.0990 298.4761 -253.3706 -224.0133 559714.7509 -7.8069 -7.9132 PRESSURE: 126600 88.7035 12.2477 37.5407 12.2479 -130.166 -44.2929 37.5403 -44.2941 -97.0282 GPRESSURE: 126600 89.3842 41.1318 104.665 -27.5407 -97.331 -102.202 14.5684 -86.4317 -48.3509 PRESSAVG: 126600 42.1529 -23.2691 1.09828 -23.2691 -45.4483 64.8844 1.09822 64.8843 -5.7916 GPRESSAVG: 126600 42.5319 -21.3664 -0.943046 -22.953 -45.1144 65.6499 3.29771 64.2964 -6.29869 TIMING: 126600 CPU: 377.651, 0.00298218/step Wall: 377.651, 0.00298218/step, 4.03704 hours remaining, 206.339844 MB of memory in use. ENERGY: 126600 739.3807 2152.5731 1942.6770 121.8929 -206532.4497 17752.0795 0.0000 0.0000 34428.1967 -149395.6498 300.6700 -183823.8465 -149298.5431 298.7862 -46.1636 -18.7659 558872.0610 -3.0290 -2.9604 PRESSURE: 126800 -114.444 78.3662 9.24212 78.3676 80.7255 71.1465 9.2434 71.1454 203.567 GPRESSURE: 126800 -89.8156 72.5947 51.4295 96.5473 96.7917 59.142 -57.4204 -29.1237 270.305 PRESSAVG: 126800 1.71626 -27.3911 -35.8757 -27.391 -12.1431 41.7103 -35.8758 41.7103 -9.56706 GPRESSAVG: 126800 1.67594 -27.9944 -33.04 -26.5371 -11.5391 42.4974 -38.7933 41.1359 -9.89002 TIMING: 126800 CPU: 378.248, 0.00298554/step Wall: 378.248, 0.00298554/step, 4.04143 hours remaining, 206.339844 MB of memory in use. ENERGY: 126800 748.3894 2052.8223 1944.7451 126.6554 -206632.5368 18060.5099 0.0000 0.0000 34070.9130 -149628.5017 297.5498 -183699.4147 -149530.6012 298.5526 56.6159 92.4271 558669.9174 -6.6646 -6.5844 PRESSURE: 127000 -281.402 79.4952 -4.52234 79.4961 -74.6975 257.449 -4.52291 257.449 149.621 GPRESSURE: 127000 -261.647 105.336 16.13 93.2202 -54.4164 286.164 -51.7067 163.453 209.983 PRESSAVG: 127000 -56.8644 41.0784 -57.9493 41.0783 15.4885 42.4378 -57.9494 42.4378 37.468 GPRESSAVG: 127000 -57.0642 41.709 -57.5772 39.7059 14.9016 43.7254 -56.6399 42.7326 38.4543 TIMING: 127000 CPU: 378.841, 0.00296794/step Wall: 378.841, 0.00296794/step, 4.01743 hours remaining, 206.339844 MB of memory in use. ENERGY: 127000 737.7779 2085.4300 1938.6629 107.7725 -206655.2858 17964.9321 0.0000 0.0000 34029.9168 -149790.7937 297.1917 -183820.7105 -149688.7574 297.9136 -68.8262 -35.3604 558742.9622 -1.3027 -1.2361 PRESSURE: 127200 -354.805 11.6225 -191.891 11.6234 -291.782 118.152 -191.891 118.151 -161.27 GPRESSURE: 127200 -250.296 -63.5837 -243.211 64.314 -278.644 63.7138 -127.909 111.768 -177.053 PRESSAVG: 127200 -55.9774 -6.05907 -44.1285 -6.05906 15.3041 48.7449 -44.1286 48.745 11.0669 GPRESSAVG: 127200 -54.3892 -4.03716 -45.4988 -8.20663 14.7415 47.3321 -43.2633 47.9761 9.74022 TIMING: 127200 CPU: 379.436, 0.00297339/step Wall: 379.436, 0.00297339/step, 4.02464 hours remaining, 206.339844 MB of memory in use. ENERGY: 127200 741.2204 2059.8471 1914.0114 113.0619 -206700.4908 17774.7734 0.0000 0.0000 34373.0605 -149724.5161 300.1885 -184097.5765 -149622.4720 297.7314 -269.2855 -235.3311 558915.8047 -9.8688 -9.9692 PRESSURE: 127400 59.8806 -52.0593 121.573 -52.0581 70.5772 -43.9427 121.573 -43.9421 0.50014 GPRESSURE: 127400 39.8419 -101.879 167.406 -32.7056 128.084 -98.7199 125.634 45.4719 54.6635 PRESSAVG: 127400 25.7844 -35.3722 -7.45436 -35.3722 -51.3927 -0.843786 -7.45438 -0.843771 37.7984 GPRESSAVG: 127400 24.3334 -40.4864 -6.05468 -31.0572 -50.8174 1.72076 -9.56935 -1.53022 39.0621 TIMING: 127400 CPU: 380.036, 0.00300036/step Wall: 380.036, 0.00300036/step, 4.06098 hours remaining, 206.390625 MB of memory in use. ENERGY: 127400 751.6876 2104.9861 1924.3165 122.2659 -206380.3198 17855.4289 0.0000 0.0000 34088.9544 -149532.6804 297.7073 -183621.6348 -149435.5975 297.4962 43.6527 74.1964 557234.6037 4.0634 4.1927 PRESSURE: 127600 98.7641 -118.094 7.24343 -118.095 -73.6764 125.174 7.24312 125.174 155.752 GPRESSURE: 127600 125.01 -185.858 -31.7464 -76.6756 -6.11249 43.0545 67.7215 132.714 152.077 PRESSAVG: 127600 11.7281 -19.1881 26.7481 -19.188 -31.0864 21.4777 26.7482 21.4777 -16.1931 GPRESSAVG: 127600 11.8249 -16.6364 27.2401 -20.7462 -30.9678 20.3848 29.245 21.4305 -16.6559 TIMING: 127600 CPU: 380.638, 0.00300995/step Wall: 380.638, 0.00300995/step, 4.07379 hours remaining, 206.390625 MB of memory in use. ENERGY: 127600 751.9560 2072.3539 1941.2661 102.9158 -206557.7441 17934.2920 0.0000 0.0000 34378.2785 -149376.6818 300.2341 -183754.9603 -149283.3361 298.4650 60.2798 90.3249 558000.0935 -11.8504 -11.9329 PRESSURE: 127800 -26.6799 13.092 -0.952303 13.0916 197.425 -71.1353 -0.953365 -71.1345 19.9047 GPRESSURE: 127800 9.66799 14.4557 -15.0666 93.2835 217.518 18.871 43.9797 -85.0258 50.3873 PRESSAVG: 127800 1.34351 -30.6363 -25.7809 -30.6363 27.5126 31.1014 -25.781 31.1015 -20.4838 GPRESSAVG: 127800 1.23278 -30.3979 -26.2723 -30.9023 27.5316 29.7305 -27.4589 32.7225 -20.1654 TIMING: 127800 CPU: 381.237, 0.00299656/step Wall: 381.237, 0.00299656/step, 4.05552 hours remaining, 206.390625 MB of memory in use. ENERGY: 127800 739.0248 2103.2027 1963.8893 104.4449 -206367.1719 17967.2763 0.0000 0.0000 34351.0177 -149138.3163 299.9960 -183489.3340 -149046.5695 299.4657 63.5498 92.5244 558377.9201 2.7907 2.8663 PRESSURE: 128000 -133.627 38.2322 139.437 38.2316 -33.0928 37.5285 139.437 37.5283 106.485 GPRESSURE: 128000 -101.589 17.9466 114.975 20.3144 -9.29899 79.2445 147.326 30.2919 150.812 PRESSAVG: 128000 3.48864 -30.6691 -21.6926 -30.6691 -41.6914 3.90414 -21.6925 3.90416 11.7467 GPRESSAVG: 128000 3.68668 -31.6212 -21.4676 -30.9618 -41.0848 2.67277 -21.2209 4.37187 11.6249 TIMING: 128000 CPU: 381.831, 0.00296939/step Wall: 381.831, 0.00296939/step, 4.01857 hours remaining, 206.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 128000 722.7094 2088.7594 1924.0191 120.2176 -205935.9038 17728.1046 0.0000 0.0000 34133.0392 -149219.0545 298.0923 -183352.0937 -149124.3263 300.3106 -20.0784 13.3080 559479.9569 -8.8187 -8.5911 PRESSURE: 128200 -183.699 -43.9296 44.8699 -43.9301 60.131 -65.6691 44.8697 -65.6695 -252.481 GPRESSURE: 128200 -169.85 -34.3599 1.80384 -85.8131 106.549 43.1975 52.9404 -110.78 -215.173 PRESSAVG: 128200 -36.4783 -3.07159 9.43943 -3.0716 -69.6128 -50.6636 9.43952 -50.6636 53.8876 GPRESSAVG: 128200 -36.2858 -3.7976 6.31224 -2.52433 -70.1993 -48.5281 9.77864 -53.4129 54.6345 TIMING: 128200 CPU: 382.426, 0.00297321/step Wall: 382.426, 0.00297321/step, 4.02358 hours remaining, 206.390625 MB of memory in use. ENERGY: 128200 730.8713 2044.3866 1925.7897 121.8841 -206347.6766 17831.5010 0.0000 0.0000 34389.7685 -149303.4753 300.3344 -183693.2438 -149205.2748 299.2738 -125.3499 -92.8250 558986.8001 -17.4012 -17.2835 LDB: ============= START OF LOAD BALANCING ============== 385.976 LDB: ============== END OF LOAD BALANCING =============== 385.976 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 385.978 LDB: ============= START OF LOAD BALANCING ============== 386.281 LDB: Largest compute 4795 load 0.029184 is 24.7% of average load 0.117921 LDB: Average compute 0.001729 is 1.5% of average load 0.117921 LDB: TIME 386.284 LOAD: AVG 0.117921 MAX 0.209615 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.07 MB LDB: TIME 386.284 LOAD: AVG 0.117921 MAX 0.209615 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.273 MB LDB: TIME 386.285 LOAD: AVG 0.117921 MAX 0.209615 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.273 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 386.287 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 386.291 PRESSURE: 128400 -69.1897 63.2981 50.8693 63.2971 -262.609 -34.9534 50.87 -34.9529 149.596 GPRESSURE: 128400 -4.94334 46.4472 103.075 160.771 -273.52 -53.4634 19.7495 -39.319 195.241 PRESSAVG: 128400 27.6719 -59.3057 -7.12984 -59.3057 -18.1045 -3.9703 -7.12987 -3.97026 6.6077 GPRESSAVG: 128400 27.5417 -56.8931 -4.69237 -59.6522 -17.5294 -5.56553 -7.51711 -0.648474 6.75118 TIMING: 128400 CPU: 383.041, 0.00307322/step Wall: 383.041, 0.00307322/step, 4.15874 hours remaining, 205.609375 MB of memory in use. ENERGY: 128400 765.6527 2064.9304 1935.9881 107.4325 -206362.5184 17872.3836 0.0000 0.0000 34391.5418 -149224.5892 300.3499 -183616.1310 -149128.8897 299.5727 -60.7341 -27.7410 557864.2411 5.3917 5.5878 PRESSURE: 128600 -354.481 124.55 -47.354 124.551 -477.36 78.7624 -47.3551 78.761 9.21196 GPRESSURE: 128600 -327.372 123.424 -1.78579 77.9321 -403.43 32.1175 -124.001 133.604 5.25134 PRESSAVG: 128600 -17.4239 22.8104 6.23629 22.8103 -1.43511 -27.8349 6.23619 -27.8349 31.7975 GPRESSAVG: 128600 -16.7147 21.8036 6.06294 22.7145 -1.30997 -29.4499 4.76348 -28.9137 31.4901 TIMING: 128600 CPU: 383.644, 0.00301566/step Wall: 383.644, 0.00301566/step, 4.08069 hours remaining, 205.679688 MB of memory in use. ENERGY: 128600 728.3344 2049.0712 1938.5764 107.0126 -205844.0644 17361.0735 0.0000 0.0000 34214.6236 -149445.3727 298.8048 -183659.9963 -149344.6474 298.8436 -274.2097 -241.8502 557371.5902 4.3128 4.4885 PRESSURE: 128800 -10.6828 114.312 -87.7927 114.312 219.8 -176.394 -87.7918 -176.394 24.295 GPRESSURE: 128800 -31.0145 172.765 -60.8484 81.1256 260.785 -272.244 -133.049 -162.192 92.4903 PRESSAVG: 128800 28.5529 29.077 -13.9708 29.0771 -65.3104 40.4288 -13.9707 40.4288 67.312 GPRESSAVG: 128800 27.9574 26.9817 -16.0629 31.4781 -64.3556 41.9773 -11.9405 40.4006 67.2785 TIMING: 128800 CPU: 384.238, 0.00297369/step Wall: 384.238, 0.00297369/step, 4.02373 hours remaining, 205.679688 MB of memory in use. ENERGY: 128800 743.3444 2091.3379 1937.3981 121.6868 -206512.5738 18003.5513 0.0000 0.0000 34313.0854 -149302.1699 299.6647 -183615.2553 -149209.2770 298.8947 77.8040 107.4201 557058.6755 10.1848 10.2934 PRESSURE: 129000 48.847 59.995 77.7167 59.9957 166.519 -33.602 77.7158 -33.6031 95.1449 GPRESSURE: 129000 115.219 80.2799 103.812 96.5651 219.99 20.287 82.4275 -75.3865 69.7294 PRESSAVG: 129000 -2.98361 -0.261987 4.77164 -0.262023 56.0768 -24.0362 4.77167 -24.0362 -24.2327 GPRESSAVG: 129000 -1.79111 1.43943 6.34325 -0.234052 55.7515 -23.5507 3.52879 -25.171 -25.5838 TIMING: 129000 CPU: 384.838, 0.00299594/step Wall: 384.838, 0.00299594/step, 4.05368 hours remaining, 205.679688 MB of memory in use. ENERGY: 129000 758.0412 2071.5418 1930.6571 98.1269 -206205.1810 17813.9004 0.0000 0.0000 34271.1907 -149261.7229 299.2988 -183532.9136 -149169.2521 299.1179 103.5037 134.9794 555263.6104 9.6202 9.4589 PRESSURE: 129200 122.361 -65.8376 97.4928 -65.8377 -58.8239 -98.5803 97.4926 -98.5815 -94.873 GPRESSURE: 129200 130.926 -36.4065 37.5201 -152.919 36.783 -170.31 148.057 38.7744 -108.164 PRESSAVG: 129200 14.1661 -36.621 -54.9982 -36.621 31.1083 -32.8808 -54.9982 -32.8807 0.97864 GPRESSAVG: 129200 12.63 -37.4037 -55.4733 -40.6868 31.2129 -33.4032 -54.0178 -31.0651 2.51349 TIMING: 129200 CPU: 385.438, 0.00300073/step Wall: 385.438, 0.00300073/step, 4.05999 hours remaining, 205.679688 MB of memory in use. ENERGY: 129200 752.1238 2024.6752 1949.5519 120.7904 -206244.7023 17929.7081 0.0000 0.0000 34338.7896 -149129.0633 299.8892 -183467.8529 -149025.0981 299.5928 -10.4454 19.8485 557514.8528 15.4177 15.4521 PRESSURE: 129400 37.5533 26.7362 78.9713 26.7355 -342.037 -140.997 78.9719 -140.995 -424.211 GPRESSURE: 129400 69.7797 29.8936 16.0881 -13.7903 -268.17 -17.0214 127.367 -161.764 -428.212 PRESSAVG: 129400 55.355 -21.1303 -42.0429 -21.1304 -32.5359 -36.9872 -42.0428 -36.9872 -6.27876 GPRESSAVG: 129400 56.6989 -20.1046 -40.5014 -21.4977 -33.3864 -37.2929 -43.4941 -37.5917 -6.31469 TIMING: 129400 CPU: 386.035, 0.00298827/step Wall: 386.035, 0.00298827/step, 4.04296 hours remaining, 205.679688 MB of memory in use. ENERGY: 129400 735.3067 2130.3822 1929.1320 107.4198 -205602.9771 17451.1246 0.0000 0.0000 34091.5888 -149158.0229 297.7303 -183249.6118 -149062.5771 299.4452 -242.8983 -208.8675 559366.2450 5.5134 5.6659 PRESSURE: 129600 243.622 -52.2545 80.3425 -52.2541 276.145 -118.762 80.343 -118.762 -114.814 GPRESSURE: 129600 271.828 -123.222 73.0994 -9.68359 326.886 -181.141 140.079 -87.0715 -108.697 PRESSAVG: 129600 4.43594 -32.2305 50.4103 -32.2305 1.88462 26.8339 50.4103 26.8339 -24.6665 GPRESSAVG: 129600 4.15811 -33.7071 50.0009 -32.3392 1.69361 24.9578 52.6792 28.538 -24.4233 TIMING: 129600 CPU: 386.629, 0.00296595/step Wall: 386.629, 0.00296595/step, 4.0126 hours remaining, 205.679688 MB of memory in use. ENERGY: 129600 743.5640 2137.6414 1955.0468 110.1116 -206404.2559 18000.8960 0.0000 0.0000 34245.7342 -149211.2618 299.0765 -183456.9960 -149111.0039 299.2723 134.9843 163.3389 557683.7018 -6.1153 -6.1905 PRESSURE: 129800 -167.871 -91.4154 -59.21 -91.417 25.1628 34.9135 -59.2101 34.9148 170.573 GPRESSURE: 129800 -41.8415 -136.787 -74.0539 -58.8347 13.8747 43.6554 -72.9971 33.5334 149.681 PRESSAVG: 129800 20.3383 -71.9906 -16.469 -71.9906 32.5583 1.08775 -16.4689 1.08763 -10.1362 GPRESSAVG: 129800 20.6915 -70.9406 -16.078 -69.1506 33.5247 4.86349 -18.0884 0.168286 -11.0931 TIMING: 129800 CPU: 387.226, 0.00298593/step Wall: 387.226, 0.00298593/step, 4.03947 hours remaining, 205.679688 MB of memory in use. ENERGY: 129800 742.6910 2100.8035 1917.2820 114.8910 -205792.1582 17620.1086 0.0000 0.0000 34079.3134 -149217.0686 297.6231 -183296.3820 -149118.9858 298.5288 9.2882 40.5713 556976.8014 14.2535 14.3744 PRESSURE: 130000 -281.893 43.3782 -112.265 43.3767 -227.593 41.4426 -112.265 41.4414 128.844 GPRESSURE: 130000 -289.233 27.131 -156.956 126.036 -201.58 11.0371 -108.789 56.2565 204.161 PRESSAVG: 130000 -99.7061 17.4777 -30.3816 17.4778 -59.6669 3.74075 -30.3816 3.74082 103.981 GPRESSAVG: 130000 -98.7124 17.2068 -29.9621 15.6289 -60.8142 1.46535 -27.7877 3.83082 104.279 TIMING: 130000 CPU: 387.823, 0.00298721/step Wall: 387.823, 0.00298721/step, 4.04104 hours remaining, 205.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 130000 746.5831 2148.8201 1923.2558 119.2807 -205712.1402 17416.4358 0.0000 0.0000 34068.4676 -149289.2971 297.5284 -183357.7647 -149195.5443 298.1113 -126.8806 -95.5510 558429.8777 -18.4641 -18.4160 PRESSURE: 130200 -78.7816 28.7188 147.19 28.7194 55.3442 146.469 147.19 146.469 -1.81601 GPRESSURE: 130200 -72.0912 44.7172 147.861 -42.2184 128.707 15.6788 172.262 166.781 14.323 PRESSAVG: 130200 -2.71973 6.56105 -3.45954 6.56115 3.8542 1.84392 -3.45954 1.84382 33.31 GPRESSAVG: 130200 -4.09602 5.80389 -4.80149 7.85642 5.17028 3.99141 -3.76602 0.264115 33.3288 TIMING: 130200 CPU: 388.421, 0.00298738/step Wall: 388.421, 0.00298738/step, 4.04109 hours remaining, 205.679688 MB of memory in use. ENERGY: 130200 750.7617 2086.5633 1919.9694 104.9767 -206224.2532 17890.4608 0.0000 0.0000 34296.5814 -149174.9399 299.5206 -183471.5213 -149075.7992 299.0532 -8.4178 23.6463 558149.9010 11.4815 11.4677 PRESSURE: 130400 -230.625 16.8837 118.372 16.8828 -159.589 124.906 118.372 124.906 -110.886 GPRESSURE: 130400 -218.072 61.0481 80.5512 -16.7844 -122.517 153.524 156.1 168.614 -54.8625 PRESSAVG: 130400 -3.83665 -4.39358 46.4641 -4.39356 20.5133 29.5899 46.4641 29.59 -24.7388 GPRESSAVG: 130400 -4.19329 -2.37063 46.1052 -5.26069 19.966 28.878 46.5341 27.0067 -23.6592 TIMING: 130400 CPU: 389.019, 0.00299305/step Wall: 389.019, 0.00299305/step, 4.0486 hours remaining, 205.679688 MB of memory in use. ENERGY: 130400 767.8334 2127.3111 1924.1367 109.4308 -206099.7656 17679.2419 0.0000 0.0000 34212.0655 -149279.7462 298.7825 -183491.8118 -149182.1443 299.4434 -167.0337 -131.8175 559755.8777 -2.6874 -2.6288 PRESSURE: 130600 -66.8388 -19.0349 11.1068 -19.0353 248.429 -164.53 11.106 -164.529 -260.112 GPRESSURE: 130600 -61.2743 -97.5984 -37.9765 -17.1806 203.047 -259.914 49.0375 -138.506 -129.067 PRESSAVG: 130600 -11.3768 -17.0119 -8.99682 -17.0119 2.20707 3.18048 -8.99684 3.18049 16.0134 GPRESSAVG: 130600 -9.27133 -20.3967 -5.29992 -14.2175 1.79829 3.44888 -11.0904 6.14434 14.5024 TIMING: 130600 CPU: 389.622, 0.00301307/step Wall: 389.622, 0.00301307/step, 4.07551 hours remaining, 205.679688 MB of memory in use. ENERGY: 130600 713.6787 2086.4244 1915.0865 103.9233 -205891.8907 17817.2712 0.0000 0.0000 34063.9019 -149191.6046 297.4885 -183255.5065 -149092.0328 298.5241 -26.1738 4.2353 559053.9546 2.2812 2.3431 PRESSURE: 130800 -67.1429 -74.7943 -10.3611 -74.7938 121.557 -59.6918 -10.3614 -59.6914 -156.471 GPRESSURE: 130800 -63.1569 10.0689 -8.74629 -141.57 216.509 -133.335 37.1046 -6.95455 -151.702 PRESSAVG: 130800 -41.8494 -23.6546 -41.8551 -23.6546 -5.83496 -91.5885 -41.855 -91.5886 47.4383 GPRESSAVG: 130800 -42.3512 -21.1695 -44.0529 -24.3739 -5.91456 -93.882 -41.3032 -90.1722 47.7836 TIMING: 130800 CPU: 390.219, 0.00298312/step Wall: 390.219, 0.00298312/step, 4.03483 hours remaining, 205.679688 MB of memory in use. ENERGY: 130800 744.3792 2092.6217 1905.5687 99.1952 -206012.5135 17764.9396 0.0000 0.0000 34171.3171 -149234.4920 298.4266 -183405.8091 -149138.6548 299.0538 -34.0191 0.5502 557237.6349 -0.0820 -0.1607 PRESSURE: 131000 -73.6211 -43.2617 -30.7212 -43.263 -462.094 5.1028 -30.7218 5.10176 45.0084 GPRESSURE: 131000 -46.5098 -40.485 25.8688 -87.3757 -380.176 -63.814 -82.2169 3.48276 29.1936 PRESSAVG: 131000 45.5398 13.0224 -10.2303 13.0224 -65.9497 6.17917 -10.2304 6.17912 63.4583 GPRESSAVG: 131000 44.8852 10.8664 -10.2942 11.9886 -65.2497 7.50376 -9.54246 5.11302 63.058 TIMING: 131000 CPU: 390.814, 0.00297528/step Wall: 390.814, 0.00297528/step, 4.02407 hours remaining, 205.679688 MB of memory in use. ENERGY: 131000 722.5545 2165.3232 1918.3187 120.7193 -205952.2420 17467.3764 0.0000 0.0000 34433.0679 -149124.8820 300.7125 -183557.9499 -149023.5023 299.3519 -163.5689 -132.4974 557057.9604 14.3495 14.2312 PRESSURE: 131200 216.936 13.7138 32.9003 13.7139 48.5112 37.0527 32.9002 37.052 -51.2626 GPRESSURE: 131200 226.925 -19.9546 78.2255 92.2839 81.7327 49.0572 124.534 51.3822 12.8658 PRESSAVG: 131200 14.8499 3.68581 -24.7314 3.68574 23.0499 -10.1064 -24.7314 -10.1064 8.74211 GPRESSAVG: 131200 14.0384 3.74751 -25.9742 3.69993 22.6822 -8.40092 -25.024 -10.3886 10.1402 TIMING: 131200 CPU: 391.413, 0.00299442/step Wall: 391.413, 0.00299442/step, 4.04979 hours remaining, 205.679688 MB of memory in use. ENERGY: 131200 752.3851 2136.2694 1891.3692 109.7391 -205980.8093 17805.6574 0.0000 0.0000 34292.0885 -148993.3007 299.4813 -183285.3892 -148895.9728 299.8225 71.3949 107.1744 555850.0734 15.5473 15.6203 PRESSURE: 131400 317.371 -107.69 174.832 -107.69 162.742 46.7628 174.831 46.7627 -114.571 GPRESSURE: 131400 382.062 -83.8205 72.5768 -124.876 167.54 207.487 203.811 -28.1228 -93.3885 PRESSAVG: 131400 -8.145 -15.9727 20.5091 -15.9727 -34.9368 17.7695 20.509 17.7695 5.81004 GPRESSAVG: 131400 -7.08366 -14.0924 20.7347 -17.4215 -35.0455 17.0018 21.7833 18.4712 4.66102 TIMING: 131400 CPU: 392.009, 0.00298441/step Wall: 392.009, 0.00298441/step, 4.03608 hours remaining, 205.679688 MB of memory in use. ENERGY: 131400 736.1474 2018.6854 1925.1458 107.9151 -205982.5866 18008.1637 0.0000 0.0000 34270.9550 -148915.5742 299.2968 -183186.5292 -148822.8210 299.3721 121.8473 152.0712 556348.1145 -12.4239 -12.4894 PRESSURE: 131600 42.3507 40.2113 -71.3331 40.2108 3.19325 119.837 -71.3342 119.84 38.1959 GPRESSURE: 131600 92.5786 58.8996 9.29767 0.509336 30.6618 8.34473 -44.9968 173.961 54.0124 PRESSAVG: 131600 8.17993 15.004 -5.05371 15.0041 -26.2132 -38.6681 -5.05373 -38.6681 37.2313 GPRESSAVG: 131600 7.01975 12.8545 -3.94472 16.0497 -26.0822 -39.9203 -4.09716 -39.3136 38.2624 TIMING: 131600 CPU: 392.606, 0.00298516/step Wall: 392.606, 0.00298516/step, 4.03693 hours remaining, 205.679688 MB of memory in use. ENERGY: 131600 753.7070 2135.1401 1908.6789 114.8855 -205589.0908 17620.7470 0.0000 0.0000 34397.3209 -148658.6115 300.4004 -183055.9324 -148566.5149 300.6572 27.9133 59.0843 558361.3786 6.3993 6.4000 PRESSURE: 131800 -115.893 37.1177 2.85159 37.1182 51.992 58.3537 2.85223 58.3542 82.7032 GPRESSURE: 131800 -67.9614 1.88231 -10.8779 32.7111 88.2781 92.2852 -1.99035 83.7799 99.2772 PRESSAVG: 131800 19.9668 26.2081 -0.656882 26.2081 -41.9873 4.08728 -0.656901 4.08745 46.1675 GPRESSAVG: 131800 20.2137 27.7218 0.672773 26.7373 -42.1379 5.99486 -4.42028 2.97941 45.8988 TIMING: 131800 CPU: 393.203, 0.00298041/step Wall: 393.203, 0.00298041/step, 4.03034 hours remaining, 205.679688 MB of memory in use. ENERGY: 131800 729.9561 2105.7503 1949.5676 110.0606 -205866.4485 17877.2343 0.0000 0.0000 34475.1716 -148618.7081 301.0802 -183093.8797 -148529.5402 300.3253 6.2673 39.8646 558483.6606 8.0490 7.9915 PRESSURE: 132000 -181.997 -33.7445 -111.666 -33.7447 67.7732 -75.5056 -111.664 -75.5056 -153.597 GPRESSURE: 132000 -107.156 3.68723 -92.0266 -74.0612 69.333 -72.4018 -199.236 -94.8052 -132.991 PRESSAVG: 132000 19.4586 -10.6198 -12.4054 -10.6197 17.5285 -31.6432 -12.4054 -31.6433 -28.7429 GPRESSAVG: 132000 20.1476 -11.0602 -13.9958 -9.89014 17.5157 -33.4485 -9.91161 -30.4846 -29.6089 TIMING: 132000 CPU: 393.797, 0.00297296/step Wall: 393.797, 0.00297296/step, 4.02011 hours remaining, 205.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 132000 737.2243 2166.0219 1910.9875 115.2286 -205309.8380 17611.8228 0.0000 0.0000 34297.6891 -148470.8639 299.5302 -182768.5530 -148371.7421 300.3700 -89.2736 -56.9380 558317.7927 2.7481 2.6848 PRESSURE: 132200 -218.727 -14.8378 -44.3654 -14.839 -97.7666 -4.07002 -44.3648 -4.06993 109.821 GPRESSURE: 132200 -156.556 72.6923 -136.465 -12.3485 -81.4145 59.9595 18.0852 -33.6898 132.354 PRESSAVG: 132200 1.75218 8.16868 -106.078 8.16859 44.2686 -20.6767 -106.077 -20.6768 -22.9568 GPRESSAVG: 132200 1.47526 9.56556 -105.302 7.34736 44.5387 -21.2183 -108.307 -18.8309 -22.8266 TIMING: 132200 CPU: 394.398, 0.00300441/step Wall: 394.398, 0.00300441/step, 4.06247 hours remaining, 205.679688 MB of memory in use. ENERGY: 132200 752.9047 2089.2869 1937.7196 125.0416 -205585.6715 17592.3529 0.0000 0.0000 34546.6981 -148541.6677 301.7049 -183088.3657 -148445.0832 301.2766 -68.8908 -35.2058 559477.3620 7.6880 7.7291 LDB: ============= START OF LOAD BALANCING ============== 397.949 LDB: ============== END OF LOAD BALANCING =============== 397.949 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 397.951 LDB: ============= START OF LOAD BALANCING ============== 398.254 LDB: Largest compute 4795 load 0.028817 is 24.4% of average load 0.118074 LDB: Average compute 0.001733 is 1.5% of average load 0.118074 LDB: TIME 398.256 LOAD: AVG 0.118074 MAX 0.213354 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.828 MB LDB: TIME 398.257 LOAD: AVG 0.118074 MAX 0.213354 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.828 MB LDB: TIME 398.257 LOAD: AVG 0.118074 MAX 0.213354 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.828 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 398.259 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 398.263 PRESSURE: 132400 -77.756 166.245 -39.8124 166.244 -187.23 173.388 -39.8116 173.389 -305.255 GPRESSURE: 132400 -80.3003 218.365 16.8178 67.3748 -152.187 206.402 -81.0801 51.7614 -240.581 PRESSAVG: 132400 4.53992 -20.3489 -33.3437 -20.349 20.3692 5.76337 -33.3437 5.76335 -63.1124 GPRESSAVG: 132400 4.29156 -20.1448 -34.0334 -19.896 20.2791 5.78252 -30.1475 5.12327 -62.7023 TIMING: 132400 CPU: 395.013, 0.0030736/step Wall: 395.013, 0.0030736/step, 4.15585 hours remaining, 206.140625 MB of memory in use. ENERGY: 132400 772.9883 2052.3024 1959.2004 119.6784 -205053.2504 17509.1215 0.0000 0.0000 34159.8291 -148480.1304 298.3263 -182639.9595 -148386.2719 301.3249 -190.0804 -157.6896 560361.5380 -12.7344 -12.7105 PRESSURE: 132600 6.06518 45.7883 -287.28 45.7889 -182.724 79.981 -287.279 79.9798 -504.763 GPRESSURE: 132600 20.565 108.832 -354.746 45.949 -131.58 57.1867 -208.982 29.7246 -466.658 PRESSAVG: 132600 15.6356 12.0822 -66.792 12.0822 5.44821 -4.60727 -66.7919 -4.60739 -65.39 GPRESSAVG: 132600 14.501 11.3436 -66.1645 10.0172 6.50891 -5.40861 -68.5002 -4.37232 -65.2809 TIMING: 132600 CPU: 395.615, 0.00301218/step Wall: 395.615, 0.00301218/step, 4.07264 hours remaining, 206.210938 MB of memory in use. ENERGY: 132600 732.9175 2063.9845 1947.9515 112.8285 -205474.1924 17517.1499 0.0000 0.0000 34360.7118 -148738.6485 300.0806 -183099.3603 -148642.1227 300.3865 -227.1407 -192.5576 558362.4194 -14.7687 -14.7570 PRESSURE: 132800 -202.586 -41.9995 -72.4725 -41.9979 -20.0833 -11.4096 -72.4711 -11.4101 -239.029 GPRESSURE: 132800 -220.571 5.95323 -46.058 -19.4352 42.0439 -56.6849 -104.57 15.7684 -189.96 PRESSAVG: 132800 13.6095 5.5278 -100.95 5.52778 -6.50288 13.996 -100.95 13.9959 -4.92697 GPRESSAVG: 132800 15.4894 4.46768 -100.028 7.69604 -8.3018 15.7719 -100.157 12.7988 -4.89791 TIMING: 132800 CPU: 396.214, 0.00299589/step Wall: 396.214, 0.00299589/step, 4.05044 hours remaining, 206.210938 MB of memory in use. ENERGY: 132800 733.2204 2033.8684 1942.7030 110.9453 -205280.9422 17318.2850 0.0000 0.0000 34374.7558 -148767.1642 300.2033 -183141.9200 -148660.5916 300.4553 -153.8996 -122.8288 557615.0734 0.7266 0.7632 PRESSURE: 133000 -19.1674 36.4193 -108.8 36.4191 -37.4117 4.59883 -108.8 4.59927 51.2375 GPRESSURE: 133000 -3.59176 10.476 -123.439 19.4957 21.6837 76.784 -71.8702 -4.54066 69.3331 PRESSAVG: 133000 -38.6698 29.1409 1.26594 29.1409 46.2141 -9.06476 1.26596 -9.06485 -47.6622 GPRESSAVG: 133000 -39.7165 30.5052 -0.849679 28.595 47.3417 -10.3698 0.262264 -7.95347 -47.3525 TIMING: 133000 CPU: 396.807, 0.00296214/step Wall: 396.807, 0.00296214/step, 4.00465 hours remaining, 206.210938 MB of memory in use. ENERGY: 133000 707.5387 2077.9518 1938.5562 111.3137 -205840.5576 17782.1600 0.0000 0.0000 34482.6101 -148740.4270 301.1452 -183223.0370 -148639.6271 300.7614 -1.7805 29.1417 559614.8138 -13.3726 -13.2424 PRESSURE: 133200 16.9008 93.8128 -149.89 93.813 77.9436 -0.25028 -149.89 -0.250473 79.1852 GPRESSURE: 133200 58.8129 75.7517 -199.413 40.3156 97.6833 -103.721 -150.224 4.76929 116.956 PRESSAVG: 133200 -16.8386 55.2956 -21.344 55.2957 36.2053 8.87142 -21.3439 8.87132 -15.0171 GPRESSAVG: 133200 -15.7381 53.4437 -20.1321 55.3232 35.4494 11.1721 -22.826 7.85103 -16.1033 TIMING: 133200 CPU: 397.409, 0.00301272/step Wall: 397.409, 0.00301272/step, 4.07287 hours remaining, 206.210938 MB of memory in use. ENERGY: 133200 763.8422 2080.6493 1920.5726 108.9216 -205759.8120 17792.5593 0.0000 0.0000 34442.7480 -148650.5189 300.7971 -183093.2669 -148567.0511 301.4557 58.0099 91.1508 557798.1221 1.4499 1.2027 PRESSURE: 133400 48.4479 61.3476 -24.039 61.3481 -32.1383 -107.236 -24.0376 -107.237 -12.4369 GPRESSURE: 133400 99.9714 77.326 -38.5528 45.9683 61.6112 -90.9018 -14.1366 -73.2682 -44.419 PRESSAVG: 133400 -18.8912 -10.559 -21.921 -10.5589 51.7076 -6.80395 -21.9211 -6.80383 21.3971 GPRESSAVG: 133400 -20.654 -8.49868 -20.5955 -10.6319 52.1317 -6.93354 -20.957 -7.66563 22.4996 TIMING: 133400 CPU: 398.015, 0.00302776/step Wall: 398.015, 0.00302776/step, 4.09302 hours remaining, 206.210938 MB of memory in use. ENERGY: 133400 725.0744 2098.5135 1923.7515 101.1394 -206003.0656 17868.8930 0.0000 0.0000 34453.9413 -148831.7525 300.8948 -183285.6939 -148740.7279 300.9514 1.2909 39.0545 556695.8481 18.0712 17.9924 PRESSURE: 133600 -65.5441 -145.006 7.59435 -145.007 -0.329541 134.728 7.59293 134.728 -135.6 GPRESSURE: 133600 0.98459 -198.051 44.3098 -62.7638 -9.57716 160.517 -80.8435 117.45 -100.52 PRESSAVG: 133600 -26.0254 -46.5882 9.77752 -46.5881 -10.3107 18.3713 9.77766 18.3712 50.9579 GPRESSAVG: 133600 -25.4831 -46.5903 10.3684 -47.0261 -10.8619 15.4664 8.96221 20.3529 50.7917 TIMING: 133600 CPU: 398.608, 0.00296757/step Wall: 398.608, 0.00296757/step, 4.0115 hours remaining, 206.210938 MB of memory in use. ENERGY: 133600 739.4208 2100.1872 1920.1090 105.2750 -205559.0248 17527.4220 0.0000 0.0000 34320.4158 -148846.1949 299.7287 -183166.6108 -148750.8918 300.5730 -67.1580 -36.3709 556391.4858 4.8739 4.8156 PRESSURE: 133800 126.076 8.70353 219.082 8.70491 -87.5238 27.3463 219.082 27.3466 102.757 GPRESSURE: 133800 91.2104 58.8209 236.571 8.92872 -33.2964 12.1098 112.567 84.9768 183.126 PRESSAVG: 133800 -20.3154 -13.4834 45.4528 -13.4834 54.1669 8.85606 45.4529 8.856 -38.0527 GPRESSAVG: 133800 -19.1222 -14.9312 42.8019 -11.7975 52.9381 11.6919 47.9234 6.71611 -38.5798 TIMING: 133800 CPU: 399.2, 0.00295772/step Wall: 399.2, 0.00295772/step, 3.99802 hours remaining, 206.210938 MB of memory in use. ENERGY: 133800 714.4232 2063.8096 1942.2465 109.2434 -205844.5272 17566.7889 0.0000 0.0000 34492.8905 -148955.1252 301.2350 -183448.0157 -148853.9006 300.5742 47.1031 80.3467 555129.4327 -1.4004 -1.5880 PRESSURE: 134000 -44.521 22.7158 -163.993 22.7148 146.197 71.3106 -163.993 71.309 -24.168 GPRESSURE: 134000 -1.60367 35.7351 -176.321 -51.9804 150.766 32.2963 -199.01 142.615 23.5518 PRESSAVG: 134000 -0.643583 -15.384 -39.4646 -15.3841 -46.4281 64.4838 -39.4646 64.4838 14.4825 GPRESSAVG: 134000 -1.41625 -14.4746 -37.3371 -18.3512 -46.7615 65.1275 -42.1093 64.4447 15.5759 TIMING: 134000 CPU: 399.793, 0.00296771/step Wall: 399.793, 0.00296771/step, 4.01136 hours remaining, 206.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 134000 733.6415 2106.7002 1945.7804 104.8838 -205825.7266 17655.2996 0.0000 0.0000 34380.4459 -148898.9753 300.2530 -183279.4212 -148813.9140 299.9262 25.8361 57.5713 556109.5638 -10.8631 -10.8673 PRESSURE: 134200 -2.66846 -55.6146 -31.2824 -55.6144 -313.156 -4.12025 -31.2821 -4.11836 148.295 GPRESSURE: 134200 2.43392 -88.4666 -28.5306 -55.641 -286.47 40.4665 83.6176 44.3257 223.28 PRESSAVG: 134200 57.6224 -25.005 -18.9917 -25.005 -51.2526 5.79249 -18.9917 5.79258 13.5554 GPRESSAVG: 134200 57.6544 -25.1761 -19.8186 -22.1036 -49.6477 4.73059 -15.3967 6.31231 12.6549 TIMING: 134200 CPU: 400.391, 0.00298827/step Wall: 400.391, 0.00298827/step, 4.03898 hours remaining, 206.210938 MB of memory in use. ENERGY: 134200 745.4838 2065.5768 1942.5982 103.1987 -206175.1967 17760.6280 0.0000 0.0000 34405.5007 -149152.2105 300.4718 -183557.7112 -149056.0355 300.3829 -55.8431 -20.2523 557313.3714 6.6417 6.8872 PRESSURE: 134400 -59.7691 75.2733 179.6 75.2725 115.303 49.8428 179.599 49.841 -69.3299 GPRESSURE: 134400 -82.5099 134.776 167.685 88.7349 196.566 32.4344 195.526 100.792 -40.5336 PRESSAVG: 134400 -28.1634 16.5871 -12.4614 16.5871 -13.8753 -11.5592 -12.4613 -11.5593 23.4492 GPRESSAVG: 134400 -27.4295 16.5378 -14.8502 17.2741 -14.1792 -11.0578 -15.0588 -12.0504 23.4572 TIMING: 134400 CPU: 400.989, 0.00299179/step Wall: 400.989, 0.00299179/step, 4.04357 hours remaining, 206.210938 MB of memory in use. ENERGY: 134400 761.3804 2049.5013 1930.8586 114.8681 -206303.7758 17906.5618 0.0000 0.0000 34312.1838 -149228.4218 299.6568 -183540.6056 -149127.1150 299.8412 -4.5988 24.5076 558210.6359 -6.1965 -6.0505 PRESSURE: 134600 -189.751 -41.0692 6.03346 -41.0694 94.9496 -7.67267 6.03394 -7.67281 -111.562 GPRESSURE: 134600 -148.004 -94.6802 28.5284 -46.0563 77.481 -18.1273 11.0259 39.5473 -41.2205 PRESSAVG: 134600 -31.5385 -36.5862 -39.1902 -36.5862 -7.20321 -15.1307 -39.1903 -15.1307 10.9804 GPRESSAVG: 134600 -32.4452 -34.3749 -37.1439 -39.8301 -6.68996 -18.4322 -37.0583 -12.3295 11.6988 TIMING: 134600 CPU: 401.59, 0.00300191/step Wall: 401.59, 0.00300191/step, 4.05708 hours remaining, 206.210938 MB of memory in use. ENERGY: 134600 713.9264 2067.9245 1902.7043 107.3098 -206325.3359 17882.0448 0.0000 0.0000 34282.3826 -149369.0434 299.3966 -183651.4259 -149273.7294 299.0715 -68.7880 -37.2478 559872.9104 -9.2538 -9.1455 PRESSURE: 134800 -32.5869 -23.9899 99.182 -23.9905 -142.301 4.2238 99.1822 4.22358 -84.6344 GPRESSURE: 134800 -0.833071 -39.5967 95.5511 -9.74301 -68.3135 33.4142 175.108 -90.2041 -93.3826 PRESSAVG: 134800 -24.1785 25.6859 -25.9188 25.6859 27.4843 -26.012 -25.9188 -26.012 -24.5086 GPRESSAVG: 134800 -23.1895 25.5463 -26.6367 26.4532 27.4496 -23.9117 -26.2806 -29.4272 -24.6199 TIMING: 134800 CPU: 402.191, 0.0030077/step Wall: 402.191, 0.0030077/step, 4.06474 hours remaining, 206.210938 MB of memory in use. ENERGY: 134800 797.6384 2053.8690 1923.1816 108.3406 -206070.0644 17728.0093 0.0000 0.0000 34125.4077 -149333.6177 298.0257 -183459.0255 -149237.4401 298.6501 -86.5075 -54.1764 558677.5888 -7.0676 -6.7866 PRESSURE: 135000 -364.091 99.8533 9.82698 99.8542 162.712 -13.9122 9.82763 -13.9134 -19.5929 GPRESSURE: 135000 -331.362 79.4325 -20.3045 55.9991 147.118 31.4136 -15.6382 -98.2102 55.9413 PRESSAVG: 135000 -85.0485 16.3969 -2.84664 16.3969 -10.3194 -17.1224 -2.84665 -17.1223 92.1392 GPRESSAVG: 135000 -86.1002 14.6065 -2.25941 18.6607 -9.74735 -15.4729 -3.90665 -16.8256 92.2799 TIMING: 135000 CPU: 402.791, 0.00299638/step Wall: 402.791, 0.00299638/step, 4.04928 hours remaining, 206.210938 MB of memory in use. ENERGY: 135000 731.3046 2085.6859 1921.3408 102.7823 -206027.8377 17709.5278 0.0000 0.0000 34200.1688 -149277.0275 298.6786 -183477.1963 -149179.1866 299.6726 -73.6573 -42.7673 558053.0412 -1.0763 -1.1892 PRESSURE: 135200 -268.126 89.3268 -107.972 89.3261 -201.479 -122.636 -107.973 -122.637 -388.871 GPRESSURE: 135200 -231.843 112.853 -131.265 85.0364 -210.281 -32.0396 -107.996 -120.986 -322.286 PRESSAVG: 135200 -29.0961 23.3008 18.1552 23.3009 -29.3678 7.13162 18.1551 7.13162 45.5324 GPRESSAVG: 135200 -28.1012 24.4917 17.9854 21.5586 -30.808 5.44676 20.6223 7.07802 45.89 TIMING: 135200 CPU: 403.382, 0.00295798/step Wall: 403.382, 0.00295798/step, 3.99722 hours remaining, 206.210938 MB of memory in use. ENERGY: 135200 769.5740 2076.6607 1937.1192 113.9839 -205872.3479 17547.1291 0.0000 0.0000 34171.9293 -149255.9518 298.4320 -183427.8811 -149155.5960 298.8513 -286.1584 -254.8032 558910.2110 -4.3105 -4.3397 PRESSURE: 135400 -47.6449 -105.628 142.878 -105.628 95.2682 -32.2254 142.879 -32.2236 168.419 GPRESSURE: 135400 -15.8761 -47.0624 220.422 -126.195 132.66 -53.9408 121.793 -32.6418 200.552 PRESSAVG: 135400 -66.8362 13.2011 -11.8701 13.2011 59.4674 -12.1441 -11.8702 -12.1441 -2.85293 GPRESSAVG: 135400 -68.5812 13.2872 -11.3671 13.1105 61.9103 -10.9004 -14.6766 -11.1956 -3.81577 TIMING: 135400 CPU: 403.981, 0.00299166/step Wall: 403.981, 0.00299166/step, 4.04257 hours remaining, 206.210938 MB of memory in use. ENERGY: 135400 729.4235 2072.1688 1911.4788 109.2452 -206277.5825 17922.6709 0.0000 0.0000 34385.1188 -149147.4765 300.2938 -183532.5953 -149051.8821 299.3361 72.0141 105.7789 558379.5846 -3.4072 -3.4956 PRESSURE: 135600 -134.809 35.7926 153.725 35.7928 223.396 30.9266 153.725 30.9269 -272.963 GPRESSURE: 135600 -66.3637 89.9079 56.8896 71.6898 259.001 38.2989 186.114 17.9245 -289.569 PRESSAVG: 135600 -32.5775 -48.261 -8.59053 -48.261 32.5681 -15.5847 -8.5904 -15.5847 14.4153 GPRESSAVG: 135600 -32.1417 -50.4505 -9.25069 -46.5427 31.3233 -16.4614 -8.03033 -16.0916 14.5151 TIMING: 135600 CPU: 404.576, 0.0029754/step Wall: 404.576, 0.0029754/step, 4.02043 hours remaining, 206.210938 MB of memory in use. ENERGY: 135600 750.4650 2063.7820 1921.0818 113.3256 -206103.7182 17694.3425 0.0000 0.0000 34440.6680 -149120.0533 300.7789 -183560.7213 -149023.1780 299.8918 -61.4583 -32.3107 557719.7419 4.8020 4.5656 PRESSURE: 135800 -228.397 78.4197 7.28878 78.4188 -13.1333 40.5466 7.28708 40.5461 -36.1774 GPRESSURE: 135800 -173.223 27.5904 1.6853 65.4287 -18.5856 2.73585 6.21499 114.71 11.8623 PRESSAVG: 135800 -66.1001 -0.0561858 44.0006 -0.0561712 -0.817711 15.9219 44.0005 15.922 33.9649 GPRESSAVG: 135800 -66.5141 -0.766869 46.3288 -0.314583 0.167464 13.974 43.1011 16.9074 33.6789 TIMING: 135800 CPU: 405.173, 0.00298604/step Wall: 405.173, 0.00298604/step, 4.03463 hours remaining, 206.210938 MB of memory in use. ENERGY: 135800 714.9214 2080.4285 1950.3543 100.1053 -205762.3256 17590.3956 0.0000 0.0000 34271.8433 -149054.2772 299.3045 -183326.1205 -148948.1461 299.3618 -92.5691 -59.9822 559249.2445 -10.9843 -10.8892 PRESSURE: 136000 69.8778 145.278 113.486 145.277 129.207 -149.404 113.484 -149.403 -225.387 GPRESSURE: 136000 140.864 213.996 123.169 129.194 111.704 -217.285 66.2748 -191.718 -178.835 PRESSAVG: 136000 -3.99766 16.066 53.6839 16.066 11.8615 -69.1226 53.6839 -69.1226 4.15044 GPRESSAVG: 136000 -2.95727 16.294 50.0787 15.2991 10.5634 -69.6883 55.2828 -69.0631 4.5794 TIMING: 136000 CPU: 405.768, 0.00297329/step Wall: 405.768, 0.00297329/step, 4.01724 hours remaining, 206.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 136000 728.4898 2088.4666 1911.8497 103.7667 -206277.6065 17793.0119 0.0000 0.0000 34487.1060 -149164.9159 301.1845 -183652.0219 -149072.3233 299.6552 -8.7673 24.5775 558685.3684 4.0048 4.0618 PRESSURE: 136200 35.1724 -57.1901 -3.77046 -57.1922 -177.217 94.8134 -3.76922 94.8127 -1.07172 GPRESSURE: 136200 38.7427 -101.82 7.64545 -86.6248 -125.487 144.005 47.0669 68.5829 43.2018 PRESSAVG: 136200 56.5012 3.91879 11.6309 3.91875 -8.67278 -61.4937 11.6309 -61.4937 3.16795 GPRESSAVG: 136200 56.8677 4.37345 14.5953 2.91364 -9.17582 -60.8689 9.29984 -60.7926 3.01739 TIMING: 136200 CPU: 406.368, 0.00300048/step Wall: 406.368, 0.00300048/step, 4.05382 hours remaining, 206.210938 MB of memory in use. ENERGY: 136200 766.2834 2062.1430 1923.6174 103.4926 -205904.2523 17662.3158 0.0000 0.0000 34099.0489 -149287.3512 297.7955 -183386.4001 -149190.7730 299.4756 -47.7055 -14.5141 557521.6238 16.9988 16.9031 LDB: ============= START OF LOAD BALANCING ============== 409.919 LDB: ============== END OF LOAD BALANCING =============== 409.919 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 409.92 LDB: ============= START OF LOAD BALANCING ============== 410.219 LDB: Largest compute 4795 load 0.028736 is 24.4% of average load 0.117973 LDB: Average compute 0.001736 is 1.5% of average load 0.117973 LDB: TIME 410.221 LOAD: AVG 0.117973 MAX 0.209809 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.691 MB LDB: TIME 410.221 LOAD: AVG 0.117973 MAX 0.209809 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.691 MB LDB: TIME 410.222 LOAD: AVG 0.117973 MAX 0.209809 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.691 MB LDB: ============== END OF LOAD BALANCING =============== 410.223 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 410.227 PRESSURE: 136400 -166.254 -48.0043 101.575 -48.0045 -310.37 -95.2026 101.576 -95.2033 8.62963 GPRESSURE: 136400 -155.247 -121.507 115.641 -114.488 -238.339 -126.591 38.0855 -50.2294 13.7854 PRESSAVG: 136400 10.4015 17.4486 -15.7347 17.4485 -39.0874 5.84667 -15.7345 5.84666 15.4746 GPRESSAVG: 136400 9.58597 17.5018 -18.8684 17.8331 -38.4842 9.22695 -14.437 3.57072 15.9006 TIMING: 136400 CPU: 406.977, 0.00304883/step Wall: 406.977, 0.00304883/step, 4.11897 hours remaining, 204.464844 MB of memory in use. ENERGY: 136400 743.0687 2071.8199 1952.5902 122.7280 -206026.1844 17509.8938 0.0000 0.0000 34146.9797 -149479.1040 298.2141 -183626.0837 -149386.0483 298.2676 -155.9980 -126.6000 556721.8185 -4.4038 -4.3325 PRESSURE: 136600 82.5882 -81.7764 122.77 -81.7769 29.1443 27.5235 122.77 27.5244 -53.1778 GPRESSURE: 136600 33.8099 -70.0721 164.279 -104.288 84.127 42.5909 103.878 -46.4822 43.4755 PRESSAVG: 136600 -24.7635 -19.5438 41.986 -19.5438 15.0459 -17.0237 41.986 -17.0237 1.44199 GPRESSAVG: 136600 -23.9551 -19.7637 42.9078 -20.6785 14.9945 -20.4002 42.6697 -14.4428 1.1137 TIMING: 136600 CPU: 407.572, 0.00297509/step Wall: 407.572, 0.00297509/step, 4.01918 hours remaining, 204.464844 MB of memory in use. ENERGY: 136600 758.2490 2129.3572 1910.6942 113.8283 -206411.2112 17896.1962 0.0000 0.0000 34039.4935 -149563.3928 297.2754 -183602.8863 -149473.8478 298.1075 19.5182 53.8041 556450.0329 -2.7585 -2.6156 PRESSURE: 136800 -33.6705 -3.54685 -88.8319 -3.54919 -15.6124 -91.5564 -88.8319 -91.5568 176.454 GPRESSURE: 136800 -29.0979 -62.4608 -0.451793 51.5126 5.18609 -68.3002 -136.179 -28.7172 246.023 PRESSAVG: 136800 6.29612 -42.9583 -24.5729 -42.9582 -4.24698 28.9204 -24.5729 28.9204 22.2938 GPRESSAVG: 136800 5.83259 -41.0286 -24.9993 -42.729 -3.83474 30.1899 -23.5325 27.9805 22.3333 TIMING: 136800 CPU: 408.165, 0.00296099/step Wall: 408.165, 0.00296099/step, 3.99997 hours remaining, 204.464844 MB of memory in use. ENERGY: 136800 770.3224 2106.4609 1934.0597 112.7690 -206651.1928 17932.6780 0.0000 0.0000 34202.3213 -149592.5815 298.6974 -183794.9028 -149495.4552 298.0077 42.3905 74.0372 556173.7609 8.1143 8.1104 PRESSURE: 137000 -54.2268 -48.0535 72.1182 -48.0535 -72.2176 53.3065 72.1189 53.3057 -277.092 GPRESSURE: 137000 -5.16498 -137.111 118.65 -98.6712 -68.0904 120.98 23.979 26.6366 -226.928 PRESSAVG: 137000 16.3142 11.7439 -32.5163 11.7439 18.4124 45.3959 -32.5162 45.3959 14.4108 GPRESSAVG: 137000 16.534 9.79065 -31.1884 10.983 18.457 45.8212 -32.9872 44.3656 14.6538 TIMING: 137000 CPU: 408.762, 0.00298897/step Wall: 408.762, 0.00298897/step, 4.0376 hours remaining, 204.464844 MB of memory in use. ENERGY: 137000 746.2532 2065.9203 1954.7341 111.0089 -206323.3396 17617.2061 0.0000 0.0000 34244.3638 -149583.8532 299.0645 -183828.2170 -149480.3627 298.2402 -134.5121 -100.0612 557887.0440 16.3791 16.5483 PRESSURE: 137200 72.5353 -103.797 31.9453 -103.797 -123.631 -46.6828 31.9452 -46.6832 -117.058 GPRESSURE: 137200 82.4177 -126.629 44.3309 -19.6222 -66.0252 72.2221 -93.7211 -82.9041 -87.5763 PRESSAVG: 137200 30.6462 -0.947389 9.23076 -0.947293 38.5055 51.4507 9.23077 51.4507 -62.957 GPRESSAVG: 137200 30.2988 -0.450739 9.03006 1.11691 37.8265 52.4552 7.98064 50.2243 -62.1851 TIMING: 137200 CPU: 409.361, 0.00299135/step Wall: 409.361, 0.00299135/step, 4.04065 hours remaining, 204.464844 MB of memory in use. ENERGY: 137200 755.4336 2136.4661 1947.9880 109.5270 -206683.2188 17854.0469 0.0000 0.0000 34054.5557 -149825.2014 297.4069 -183879.7571 -149734.7055 297.4874 -56.0515 -23.7279 556344.2700 2.0649 1.9801 PRESSURE: 137400 -128.305 216.953 -31.7759 216.953 203.263 128.082 -31.7762 128.083 92.964 GPRESSURE: 137400 -44.0992 200.392 -92.7316 240.245 195.236 152.536 -115.633 90.0056 117.033 PRESSAVG: 137400 -15.3533 3.07571 25.5188 3.07568 26.3618 5.30859 25.5189 5.30859 -12.9834 GPRESSAVG: 137400 -15.1882 2.99571 25.7456 2.60325 26.8757 4.8101 25.4599 4.79059 -13.9965 TIMING: 137400 CPU: 409.957, 0.00298158/step Wall: 409.957, 0.00298158/step, 4.02728 hours remaining, 204.464844 MB of memory in use. ENERGY: 137400 738.3007 2064.1891 1948.2322 102.7723 -206848.5694 17977.7247 0.0000 0.0000 34202.9359 -149814.4144 298.7027 -184017.3503 -149719.2018 298.1018 55.9740 89.3900 556085.0357 -0.6583 -0.7697 PRESSURE: 137600 -103.333 -137.941 -136.124 -137.939 96.4769 -72.3599 -136.125 -72.3616 -21.2899 GPRESSURE: 137600 -97.1962 -188.17 -60.3302 -102.428 137.983 -75.8044 -109.643 -140.288 30.7161 PRESSAVG: 137600 33.2827 -10.3086 25.9183 -10.3085 -45.3546 21.9443 25.9183 21.9442 -13.3083 GPRESSAVG: 137600 34.1746 -10.9125 28.3837 -9.53287 -46.1653 22.0645 25.9333 22.9548 -14.2733 TIMING: 137600 CPU: 410.558, 0.00300412/step Wall: 410.558, 0.00300412/step, 4.05756 hours remaining, 204.667969 MB of memory in use. ENERGY: 137600 779.4553 2076.0571 1969.4752 117.4335 -206544.3406 17922.9263 0.0000 0.0000 34063.8595 -149615.1337 297.4882 -183678.9932 -149516.3920 298.4054 -9.3820 23.8343 557343.1610 -8.4601 -8.7547 PRESSURE: 137800 -139.453 25.1931 38.8465 25.1934 -76.0694 -87.4288 38.8468 -87.4256 34.62 GPRESSURE: 137800 -117.292 -1.07598 30.9034 24.7402 -54.3817 -67.9577 59.1653 -115.365 86.0134 PRESSAVG: 137800 -10.0031 -17.6046 -24.8312 -17.6045 -8.24033 -51.3413 -24.8312 -51.3414 33.0312 GPRESSAVG: 137800 -11.2694 -16.6365 -27.9161 -19.8032 -7.64346 -50.9503 -24.0576 -50.5173 34.199 TIMING: 137800 CPU: 411.155, 0.00298351/step Wall: 411.155, 0.00298351/step, 4.02957 hours remaining, 204.808594 MB of memory in use. ENERGY: 137800 744.8952 2133.9771 1968.1971 114.9056 -206488.1646 17769.2219 0.0000 0.0000 34247.5425 -149509.4252 299.0923 -183756.9678 -149415.9871 298.0652 -60.3006 -28.5535 557547.3487 4.9293 5.0954 PRESSURE: 138000 -90.3513 -10.1278 59.7777 -10.1292 -235.297 24.6262 59.778 24.627 -58.8995 GPRESSURE: 138000 -49.7094 -75.5237 63.3636 -50.0332 -185.333 30.8419 1.81871 65.7447 -54.627 PRESSAVG: 138000 -2.79584 -33.9422 -18.8073 -33.9422 -12.0374 -37.3151 -18.8074 -37.3151 9.15107 GPRESSAVG: 138000 -2.18738 -34.084 -17.558 -33.1461 -12.6514 -35.9334 -20.4706 -39.9783 8.68038 TIMING: 138000 CPU: 411.755, 0.00300441/step Wall: 411.755, 0.00300441/step, 4.05762 hours remaining, 204.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 138000 757.0450 2081.1832 1962.5459 114.6695 -206074.0301 17559.2099 0.0000 0.0000 34288.7507 -149310.6260 299.4522 -183599.3767 -149211.6597 298.5707 -128.1826 -96.5566 556051.4985 -1.8941 -2.0528 PRESSURE: 138200 -353.011 147.121 15.0787 147.122 -120.372 180.104 15.0792 180.104 51.7576 GPRESSURE: 138200 -254.253 214.136 92.4001 68.1385 -117.301 142.23 -39.4512 184.242 40.9676 PRESSAVG: 138200 -3.42724 -84.7577 -6.29258 -84.7577 11.2595 25.1867 -6.29258 25.1865 6.87009 GPRESSAVG: 138200 -3.91002 -84.7887 -7.52518 -86.8361 12.2834 23.5168 -7.17182 27.6501 6.33707 TIMING: 138200 CPU: 412.354, 0.00299232/step Wall: 412.354, 0.00299232/step, 4.04112 hours remaining, 204.808594 MB of memory in use. ENERGY: 138200 729.4056 2056.8314 1942.9562 109.2773 -205932.2014 17535.1869 0.0000 0.0000 34345.6841 -149212.8599 299.9494 -183558.5439 -149117.3783 299.0313 -140.5418 -110.1956 556062.9896 4.9008 4.9035 PRESSURE: 138400 -458.897 85.6748 95.4658 85.6749 -48.3669 -74.9948 95.4661 -74.9949 -299.449 GPRESSURE: 138400 -425.069 4.45734 63.2702 28.6959 -39.3751 33.5345 73.9544 -183.134 -248.032 PRESSAVG: 138400 -23.4749 -26.7503 -48.2509 -26.7503 -66.6321 15.7747 -48.2509 15.7746 114.328 GPRESSAVG: 138400 -23.4245 -29.2815 -45.5022 -24.0254 -66.8363 15.2156 -46.9501 16.9961 114.796 TIMING: 138400 CPU: 412.946, 0.00295863/step Wall: 412.946, 0.00295863/step, 3.99546 hours remaining, 204.808594 MB of memory in use. ENERGY: 138400 780.8235 2089.3324 1964.8302 106.7327 -205697.4915 17421.5778 0.0000 0.0000 34256.8506 -149077.3442 299.1736 -183334.1948 -148989.8002 299.7495 -268.9042 -237.4920 557079.5123 8.0738 8.1783 PRESSURE: 138600 -93.613 -11.9846 57.9612 -11.9837 23.4037 3.02566 57.9603 3.02366 58.7488 GPRESSURE: 138600 -8.48275 -20.8247 60.0589 107.386 81.8652 32.8555 97.3728 -10.1498 14.2527 PRESSAVG: 138600 -0.445536 -55.9385 12.4827 -55.9384 101.594 -0.577335 12.4827 -0.577385 -102.463 GPRESSAVG: 138600 0.336544 -51.8809 10.2723 -57.891 101.078 -0.941872 15.535 -3.32544 -102.247 TIMING: 138600 CPU: 413.538, 0.00296411/step Wall: 413.538, 0.00296411/step, 4.0027 hours remaining, 204.808594 MB of memory in use. ENERGY: 138600 751.5135 2164.8934 1937.4327 127.6808 -206196.5374 17877.0413 0.0000 0.0000 34256.5570 -149081.4187 299.1710 -183337.9758 -148982.3034 299.9758 -3.8202 29.2117 557175.3805 -0.4382 -0.2774 PRESSURE: 138800 190.301 42.2915 37.3889 42.2932 -141.284 -193.884 37.3891 -193.884 125.078 GPRESSURE: 138800 178.083 -16.973 -7.94276 72.6631 -85.7973 -266.629 80.0616 -138.931 169.299 PRESSAVG: 138800 -48.6425 -6.79847 -11.4234 -6.79839 27.7685 54.456 -11.4234 54.4561 -48.4264 GPRESSAVG: 138800 -49.2632 -7.7798 -10.8152 -5.76417 29.0474 58.1789 -12.1253 53.4006 -48.889 TIMING: 138800 CPU: 414.13, 0.00295604/step Wall: 414.13, 0.00295604/step, 3.99164 hours remaining, 204.808594 MB of memory in use. ENERGY: 138800 729.6363 2106.5523 1922.0229 121.3505 -206281.6610 17914.2908 0.0000 0.0000 34316.3366 -149171.4717 299.6931 -183487.8082 -149074.1954 299.7905 58.0319 87.1947 556914.9617 -23.1001 -23.0349 PRESSURE: 139000 -168.083 -64.5598 -113.392 -64.5598 -197.421 -74.5247 -113.392 -74.5239 107.857 GPRESSURE: 139000 -94.4158 4.69375 -100.274 -59.4862 -196.795 -65.4769 -104.267 -53.8346 133.268 PRESSAVG: 139000 57.2022 23.2796 24.8703 23.2796 9.14869 14.3849 24.8705 14.3848 3.9702 GPRESSAVG: 139000 57.6356 23.6226 26.421 22.0952 8.218 11.9266 22.2126 16.8764 4.41759 TIMING: 139000 CPU: 414.725, 0.00297914/step Wall: 414.725, 0.00297914/step, 4.02266 hours remaining, 204.808594 MB of memory in use. ENERGY: 139000 736.0272 2058.6345 1925.5275 113.1795 -206160.6335 17731.5088 0.0000 0.0000 34363.0668 -149232.6893 300.1012 -183595.7560 -149137.6498 300.0742 -85.8824 -52.6475 560003.0555 23.4404 23.4237 PRESSURE: 139200 -146.297 63.5796 106.68 63.5797 -197.283 88.6145 106.68 88.6159 331.663 GPRESSURE: 139200 -51.038 74.8786 -66.5644 19.8189 -203.802 46.112 61.8475 52.9101 348.89 PRESSAVG: 139200 -37.2945 51.0329 -35.7119 51.0328 7.32288 5.70792 -35.712 5.708 30.219 GPRESSAVG: 139200 -36.2364 50.9412 -38.0089 51.6209 6.85231 5.0119 -34.1679 6.72807 29.5418 TIMING: 139200 CPU: 415.325, 0.00299609/step Wall: 415.325, 0.00299609/step, 4.04539 hours remaining, 204.808594 MB of memory in use. ENERGY: 139200 716.8410 2068.0808 1927.5577 115.1780 -206303.1971 17878.2891 0.0000 0.0000 34396.3931 -149200.8573 300.3923 -183597.2504 -149097.5731 300.3010 -3.9724 31.3501 557787.2462 0.0824 0.0525 PRESSURE: 139400 40.2712 63.5059 -75.3051 63.5062 -170.253 -36.1303 -75.3055 -36.1307 -208.093 GPRESSURE: 139400 73.4889 -19.5512 -116.083 39.1542 -93.0202 -14.3371 -82.0473 15.9282 -214.408 PRESSAVG: 139400 -10.3967 -1.43341 -61.0309 -1.43335 -4.91414 53.777 -61.0309 53.777 18.4224 GPRESSAVG: 139400 -10.9421 -2.60957 -60.5777 -0.590315 -4.91448 51.6141 -61.7071 56.467 19.0939 TIMING: 139400 CPU: 415.92, 0.00297691/step Wall: 415.92, 0.00297691/step, 4.01933 hours remaining, 204.808594 MB of memory in use. ENERGY: 139400 702.8487 2086.2115 1931.4009 112.2709 -206218.1333 17787.2880 0.0000 0.0000 34374.6723 -149223.4411 300.2026 -183598.1133 -149132.6736 299.4910 -112.6918 -77.9796 558125.6000 1.0372 1.0791 PRESSURE: 139600 -8.90133 0.585203 -1.8511 0.585503 -127.948 76.8426 -1.85 76.8415 -110.176 GPRESSURE: 139600 29.7636 -34.8296 25.1587 10.8817 -99.0036 -9.1468 -13.7264 90.4082 -86.6492 PRESSAVG: 139600 -7.01344 -55.8895 -43.7031 -55.8895 -40.6409 2.32063 -43.703 2.32062 45.7775 GPRESSAVG: 139600 -7.7165 -53.8075 -42.6283 -57.4187 -41.4525 4.78644 -44.8974 -1.77825 47.3198 TIMING: 139600 CPU: 416.518, 0.00299179/step Wall: 416.518, 0.00299179/step, 4.03925 hours remaining, 204.808594 MB of memory in use. ENERGY: 139600 725.3443 2074.1757 1930.4851 116.3455 -206083.2615 17675.9272 0.0000 0.0000 34309.3051 -149251.6785 299.6317 -183560.9836 -149150.8534 299.6818 -82.3418 -51.9631 558151.5391 -0.6256 -0.6164 PRESSURE: 139800 44.3453 -111.755 -124.401 -111.754 152.546 -29.9069 -124.401 -29.9067 142.65 GPRESSURE: 139800 100.547 -8.80633 -23.2151 -154.1 150.12 22.8351 -161.081 -20.1972 178.756 PRESSAVG: 139800 -5.79722 -17.8174 -22.4961 -17.8173 -35.3493 20.0756 -22.4961 20.0756 53.5129 GPRESSAVG: 139800 -4.68607 -18.7654 -21.7098 -17.5251 -34.9756 19.3066 -20.342 22.3535 51.9234 TIMING: 139800 CPU: 417.115, 0.00298421/step Wall: 417.115, 0.00298421/step, 4.02885 hours remaining, 204.808594 MB of memory in use. ENERGY: 139800 713.3510 2110.7979 1927.4005 106.6791 -206410.1129 18179.9158 0.0000 0.0000 34145.5539 -149226.4147 298.2016 -183371.9686 -149121.2128 299.2228 113.1807 143.1409 557001.7515 4.1221 4.0872 PRESSURE: 140000 -7.56414 -19.4144 -96.9897 -19.413 -48.3336 63.3093 -96.9885 63.3092 164.022 GPRESSURE: 140000 -29.9229 -1.61566 30.5778 -89.8957 47.4118 91.1509 -76.6902 24.8241 182.941 PRESSAVG: 140000 56.8398 -8.90219 -53.0481 -8.90222 4.19248 -9.40359 -53.0481 -9.40347 -7.95473 GPRESSAVG: 140000 55.1844 -9.03846 -54.7104 -7.74022 4.50919 -6.70382 -53.2428 -10.5178 -6.83654 TIMING: 140000 CPU: 417.709, 0.00296803/step Wall: 417.709, 0.00296803/step, 4.00683 hours remaining, 204.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 140000 750.2719 2065.1984 1938.7069 113.4756 -206016.9610 17728.0171 0.0000 0.0000 34108.9341 -149312.3571 297.8818 -183421.2912 -149215.4973 299.2509 36.0413 66.8101 557517.2204 17.6925 17.6190 PRESSURE: 140200 -133.6 72.1985 -91.2887 72.2003 8.94032 -51.1361 -91.2894 -51.1372 -118.775 GPRESSURE: 140200 -131.978 65.0226 -75.0293 37.5311 13.5978 -81.3248 -132.988 1.68252 -41.5834 PRESSAVG: 140200 21.4173 -55.5838 -3.93704 -55.5837 -16.2634 23.9358 -3.93708 23.9358 -32.4166 GPRESSAVG: 140200 21.2193 -55.1699 -2.87427 -53.7255 -14.7324 22.1469 -4.77029 23.153 -33.4344 TIMING: 140200 CPU: 418.303, 0.00297143/step Wall: 418.303, 0.00297143/step, 4.01126 hours remaining, 204.808594 MB of memory in use. ENERGY: 140200 762.3977 2147.4983 1927.6414 123.1270 -206303.2926 17841.1336 0.0000 0.0000 34176.4331 -149325.0614 298.4713 -183501.4946 -149230.4023 299.0998 -81.1450 -53.3211 557099.9937 -9.0876 -8.9825 LDB: ============= START OF LOAD BALANCING ============== 421.851 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 421.851 LDB: =============== DONE WITH MIGRATION ================ 421.853 LDB: ============= START OF LOAD BALANCING ============== 422.152 LDB: Largest compute 4795 load 0.028125 is 23.8% of average load 0.117970 LDB: Average compute 0.001731 is 1.5% of average load 0.117970 LDB: TIME 422.155 LOAD: AVG 0.11797 MAX 0.208537 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.406 MB LDB: TIME 422.155 LOAD: AVG 0.11797 MAX 0.208537 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.648 MB LDB: TIME 422.155 LOAD: AVG 0.11797 MAX 0.208537 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.648 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 422.157 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 422.161 PRESSURE: 140400 -148.296 -45.2069 30.4916 -45.2067 -37.3068 33.177 30.493 33.1777 -5.34251 GPRESSURE: 140400 -144.835 -57.3621 73.391 -38.2211 11.4594 109.938 33.142 -71.8286 40.1147 PRESSAVG: 140400 67.9839 -14.698 -3.86108 -14.698 -39.5669 -2.25655 -3.86119 -2.25653 -14.2495 GPRESSAVG: 140400 68.9886 -15.6571 -4.0259 -17.2544 -41.2353 -2.75406 -1.56864 -2.18237 -13.7912 TIMING: 140400 CPU: 418.911, 0.00304069/step Wall: 418.911, 0.00304069/step, 4.10459 hours remaining, 204.015625 MB of memory in use. ENERGY: 140400 739.8493 2057.2147 1920.3503 96.3035 -205917.1778 17640.0177 0.0000 0.0000 34193.3812 -149270.0610 298.6193 -183463.4422 -149182.5647 298.8486 -63.6484 -31.0869 556015.5455 4.7225 4.6540 PRESSURE: 140600 298.417 143.839 236.205 143.838 107.819 121.533 236.205 121.533 230.964 GPRESSURE: 140600 391.334 1.94346 257.062 261.625 129.37 124.55 176.263 164.002 225.433 PRESSAVG: 140600 71.5464 -9.60053 61.939 -9.60059 -36.5421 -2.82181 61.939 -2.82178 -57.0659 GPRESSAVG: 140600 72.797 -9.7733 61.298 -6.86079 -36.4704 -1.7859 58.9784 -3.22885 -57.7017 TIMING: 140600 CPU: 419.511, 0.00299692/step Wall: 419.511, 0.00299693/step, 4.04535 hours remaining, 204.015625 MB of memory in use. ENERGY: 140600 754.9475 2142.6298 1917.0793 110.5324 -206485.7032 18064.8800 0.0000 0.0000 34356.0738 -149139.5603 300.0401 -183495.6342 -149054.0355 299.4468 212.3997 248.7123 555086.4054 -7.3539 -7.1250 PRESSURE: 140800 -254.003 -65.3337 64.0103 -65.333 -50.6688 101.53 64.0108 101.531 -21.8987 GPRESSURE: 140800 -196.89 -111.918 83.5955 -39.2699 -40.203 116.299 127.752 -5.88282 -1.99883 PRESSAVG: 140800 -31.9921 -1.76751 43.975 -1.76752 2.37489 -9.0934 43.975 -9.09352 17.8339 GPRESSAVG: 140800 -32.4233 0.00954142 43.8644 -4.88019 2.5269 -13.3476 44.7258 -7.92061 17.5707 TIMING: 140800 CPU: 420.105, 0.00297379/step Wall: 420.105, 0.00297379/step, 4.01396 hours remaining, 204.015625 MB of memory in use. ENERGY: 140800 790.6652 2145.0812 1920.1429 107.1305 -205786.9939 17768.5129 0.0000 0.0000 33973.5925 -149081.8687 296.6998 -183055.4611 -148992.9010 299.0513 -108.8567 -79.6973 557815.7167 -3.9278 -4.1086 PRESSURE: 141000 -205.664 -120.607 158.774 -120.609 -169.416 88.9729 158.775 88.9735 -378.425 GPRESSURE: 141000 -187.211 -13.023 203.318 -147.589 -173.971 130.2 142.618 -58.0758 -298.187 PRESSAVG: 141000 -2.05646 -28.5686 10.4971 -28.5686 44.0322 3.97301 10.4973 3.97301 -23.8545 GPRESSAVG: 141000 -3.02958 -31.6264 11.1379 -26.6633 44.2619 5.76016 10.0329 3.17537 -23.7364 TIMING: 141000 CPU: 420.699, 0.00296597/step Wall: 420.699, 0.00296597/step, 4.00324 hours remaining, 204.015625 MB of memory in use. ENERGY: 141000 781.7894 2016.7688 1928.8824 107.5242 -205806.1966 17602.2169 0.0000 0.0000 34109.0728 -149259.9422 297.8830 -183369.0149 -149167.8845 299.9510 -251.1684 -219.7895 557366.6977 6.0404 5.8320 PRESSURE: 141200 -12.4727 124.617 175.413 124.618 -208.167 -44.6293 175.413 -44.6301 98.7383 GPRESSURE: 141200 9.07531 189.181 222.524 172.489 -136.202 -46.4395 223.591 14.3394 106.929 PRESSAVG: 141200 82.9935 12.609 -9.8358 12.609 -42.4719 -22.0386 -9.83579 -22.0387 -21.96 GPRESSAVG: 141200 83.0736 14.8946 -10.7941 11.3425 -42.2075 -21.6937 -8.13625 -21.5893 -22.5357 TIMING: 141200 CPU: 421.3, 0.00300669/step Wall: 421.3, 0.00300669/step, 4.05802 hours remaining, 204.042969 MB of memory in use. ENERGY: 141200 718.2392 2049.4044 1933.1031 118.5792 -205889.5380 17543.0937 0.0000 0.0000 34289.8880 -149237.2304 299.4621 -183527.1184 -149141.0223 298.6827 -40.6338 -6.7328 557629.5544 6.1872 6.1101 PRESSURE: 141400 17.8747 107.65 86.9434 107.649 -6.78548 -270.699 86.9422 -270.7 -129.329 GPRESSURE: 141400 35.2517 45.1873 20.0955 44.309 15.5917 -283.114 98.944 -328.172 -58.547 PRESSAVG: 141400 25.2556 -28.3942 -21.9324 -28.3942 2.35427 -51.1909 -21.9324 -51.1909 -33.2852 GPRESSAVG: 141400 24.9789 -27.7406 -21.5611 -30.3811 2.00439 -52.0331 -23.2656 -50.6335 -32.4797 TIMING: 141400 CPU: 421.899, 0.00299468/step Wall: 421.899, 0.00299468/step, 4.04165 hours remaining, 204.042969 MB of memory in use. ENERGY: 141400 711.4949 2080.8652 1950.0956 112.1737 -205818.5682 17610.7907 0.0000 0.0000 34102.8526 -149250.2955 297.8287 -183353.1482 -149153.6410 298.9016 -39.4132 -2.5679 556634.6422 -1.8918 -1.8321 PRESSURE: 141600 -28.0643 -38.5311 -47.9831 -38.5313 -251.734 40.9144 -47.9845 40.9142 -233.502 GPRESSURE: 141600 60.2649 -3.87021 -30.9439 -5.39095 -224.687 122.893 -65.2095 -4.21755 -259.072 PRESSAVG: 141600 27.319 7.54941 -27.7472 7.54934 28.6351 -59.4394 -27.7473 -59.4392 -46.5535 GPRESSAVG: 141600 27.8328 4.47288 -26.0271 9.51513 28.8173 -57.2705 -30.0731 -61.398 -46.8247 TIMING: 141600 CPU: 422.502, 0.00301545/step Wall: 422.502, 0.00301545/step, 4.06952 hours remaining, 204.042969 MB of memory in use. ENERGY: 141600 751.0317 2069.3248 1930.2514 113.3707 -205918.1466 17587.4030 0.0000 0.0000 34143.1587 -149323.6062 298.1807 -183466.7649 -149231.4979 298.0726 -171.1001 -141.1648 558656.1609 3.1335 3.2751 PRESSURE: 141800 -85.2011 1.04119 -96.0376 1.04159 -129.614 11.8399 -96.0388 11.8396 94.7626 GPRESSURE: 141800 -25.0152 -94.6794 -79.2917 73.5041 -133.669 38.7886 -62.2189 40.8655 122.283 PRESSAVG: 141800 -29.1985 9.80195 59.1538 9.80201 69.4313 32.242 59.1538 32.2419 -38.3787 GPRESSAVG: 141800 -28.0937 11.4996 56.9215 10.5522 67.976 31.6276 62.3065 33.9306 -37.8664 TIMING: 141800 CPU: 423.099, 0.00298315/step Wall: 423.099, 0.00298316/step, 4.02577 hours remaining, 204.042969 MB of memory in use. ENERGY: 141800 753.2479 2044.1090 1925.5114 112.5204 -206145.7021 17790.9457 0.0000 0.0000 34356.8157 -149162.5519 300.0466 -183519.3676 -149074.1872 298.9689 -40.0175 -12.1337 557934.8552 0.6180 0.6720 PRESSURE: 142000 331.642 54.6051 -89.9472 54.6045 143.41 -127.084 -89.9468 -127.084 9.00679 GPRESSURE: 142000 309.771 -15.8691 -66.4444 101.476 222.388 -58.0812 -71.1346 -212.159 43.9378 PRESSAVG: 142000 21.3081 16.8193 4.46944 16.8193 -34.7269 9.38611 4.46935 9.38609 -16.7214 GPRESSAVG: 142000 20.9188 16.229 7.46127 15.1163 -33.2037 9.77321 2.05382 8.21792 -17.8303 TIMING: 142000 CPU: 423.7, 0.00300539/step Wall: 423.7, 0.00300539/step, 4.05561 hours remaining, 204.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 142000 738.8042 2048.6902 1958.2632 97.8089 -206457.9837 18246.2432 0.0000 0.0000 34200.8139 -149167.3602 298.6842 -183368.1740 -149071.8910 299.4509 161.3530 192.0321 559573.9921 -10.0468 -10.0384 PRESSURE: 142200 -143.69 189.989 48.5688 189.988 -156.709 70.6117 48.5696 70.613 -167.713 GPRESSURE: 142200 -73.6441 142.259 113.587 173.257 -154.551 17.1478 34.7535 104.755 -132.046 PRESSAVG: 142200 -27.3272 -49.9293 30.14 -49.9293 -42.7213 -6.72855 30.1401 -6.72855 39.792 GPRESSAVG: 142200 -28.2048 -49.4556 28.5965 -48.4925 -43.7528 -6.54101 29.6334 -5.89846 41.4538 TIMING: 142200 CPU: 424.303, 0.00301491/step Wall: 424.303, 0.00301491/step, 4.06829 hours remaining, 204.042969 MB of memory in use. ENERGY: 142200 716.4178 2059.2765 1943.3259 126.1452 -206076.6099 17749.9732 0.0000 0.0000 34161.0256 -149320.4457 298.3367 -183481.4713 -149220.1937 299.5902 -156.0373 -120.0803 558959.6198 -10.0855 -10.1679 PRESSURE: 142400 14.8632 -62.3497 -171.702 -62.3496 -256.925 -258.38 -171.702 -258.38 -39.3371 GPRESSURE: 142400 8.4119 -32.9942 -182.99 -5.6078 -208.041 -229.091 -85.3355 -221.76 7.48217 PRESSAVG: 142400 12.1593 -42.4489 -6.61803 -42.4489 -7.92234 -25.3415 -6.61797 -25.3415 2.93007 GPRESSAVG: 142400 12.7659 -42.6576 -5.31731 -43.5222 -7.11006 -24.769 -5.39536 -26.4277 1.6986 TIMING: 142400 CPU: 424.9, 0.00298603/step Wall: 424.9, 0.00298603/step, 4.02915 hours remaining, 204.042969 MB of memory in use. ENERGY: 142400 746.2286 2078.3604 1947.7485 110.0753 -206226.9355 17785.6837 0.0000 0.0000 34036.9396 -149521.8994 297.2531 -183558.8390 -149432.1600 298.5620 -93.7997 -64.0489 557562.2982 2.3890 2.4515 PRESSURE: 142600 196.885 29.0485 128.933 29.0495 -163.698 -22.0237 128.931 -22.023 -39.779 GPRESSURE: 142600 254.997 3.83671 64.1005 49.4112 -144.775 -36.8318 97.7604 -32.3095 -23.2839 PRESSAVG: 142600 55.6295 15.4506 -57.5072 15.4508 -69.6623 10.2463 -57.5071 10.2465 -33.017 GPRESSAVG: 142600 54.6803 15.8591 -61.0526 17.4673 -70.2276 6.74906 -55.416 10.8564 -31.9765 TIMING: 142600 CPU: 425.493, 0.00296606/step Wall: 425.493, 0.00296606/step, 4.00204 hours remaining, 204.042969 MB of memory in use. ENERGY: 142600 776.1586 2032.2581 1935.9272 116.6929 -206360.4459 17879.4949 0.0000 0.0000 34143.4296 -149476.4846 298.1831 -183619.9142 -149380.7750 298.3631 -2.1972 28.9791 557344.2763 -15.6833 -15.8413 PRESSURE: 142800 276.91 30.5661 87.2333 30.5659 -165.353 -4.29055 87.2335 -4.29154 187.53 GPRESSURE: 142800 357.72 -50.6082 63.2091 29.7457 -111.733 71.0716 45.0801 -41.5233 151.665 PRESSAVG: 142800 104.697 1.43391 -11.7058 1.43394 9.07479 -5.31035 -11.7058 -5.31019 -72.2414 GPRESSAVG: 142800 105.202 1.53659 -10.2772 0.0893492 9.37498 -2.94661 -12.1869 -5.70371 -73.1355 TIMING: 142800 CPU: 426.088, 0.00297444/step Wall: 426.088, 0.00297444/step, 4.01319 hours remaining, 204.042969 MB of memory in use. ENERGY: 142800 710.7584 2074.8985 1943.1910 124.5004 -206776.8585 18046.4033 0.0000 0.0000 34306.8862 -149570.2207 299.6106 -183877.1069 -149480.3274 299.1272 99.6954 132.5506 557009.5149 13.8435 13.8137 PRESSURE: 143000 137.099 -56.3504 -87.8401 -56.3508 106.402 -92.9034 -87.8413 -92.9038 -186.029 GPRESSURE: 143000 154.968 -77.5013 -50.749 35.6992 112.114 -77.9528 -17.2858 -85.0543 -109.569 PRESSAVG: 143000 45.2556 -11.7071 45.4494 -11.707 -22.6197 -11.9975 45.4493 -11.9976 22.8776 GPRESSAVG: 143000 44.318 -11.3777 47.8116 -11.9486 -22.0563 -11.8174 43.6407 -13.9838 23.0286 TIMING: 143000 CPU: 426.694, 0.00302989/step Wall: 426.694, 0.00302989/step, 4.08783 hours remaining, 204.042969 MB of memory in use. ENERGY: 143000 709.8168 2067.2512 1966.2323 103.0731 -206647.3745 18067.4229 0.0000 0.0000 34039.6824 -149693.8959 297.2770 -183733.5783 -149591.2563 298.0965 19.1575 52.5043 558217.9659 15.1712 15.0968 PRESSURE: 143200 164.81 -118.182 -20.2743 -118.182 3.05351 83.8299 -20.2741 83.83 253.803 GPRESSURE: 143200 221.942 -90.6747 32.6488 -134.401 17.4531 133.528 -102.268 38.3505 284.346 PRESSAVG: 143200 -10.8531 -20.593 30.3585 -20.5929 25.3945 12.4213 30.3585 12.4212 13.6829 GPRESSAVG: 143200 -10.6718 -22.8355 28.393 -18.0548 24.9237 10.6156 31.6649 12.8698 13.3593 TIMING: 143200 CPU: 427.299, 0.00302595/step Wall: 427.299, 0.00302595/step, 4.08234 hours remaining, 204.042969 MB of memory in use. ENERGY: 143200 721.5667 2099.1093 1952.1950 109.5943 -206571.8059 17977.1214 0.0000 0.0000 34329.7847 -149382.4344 299.8105 -183712.2192 -149292.7421 298.4270 140.5555 174.5802 557531.6663 9.4081 9.2037 PRESSURE: 143400 -148.631 -316.247 228.798 -316.247 61.9007 15.602 228.798 15.6013 30.0743 GPRESSURE: 143400 -151.265 -213.034 175.401 -298.183 74.6079 31.1769 278.523 -25.6283 99.9699 PRESSAVG: 143400 4.40622 -49.5296 56.9322 -49.5297 11.0999 9.42531 56.9322 9.4253 19.7882 GPRESSAVG: 143400 3.51349 -47.0243 56.4639 -50.3169 10.9492 10.454 58.3432 10.1431 21.1235 TIMING: 143400 CPU: 427.901, 0.00301116/step Wall: 427.901, 0.00301116/step, 4.06223 hours remaining, 204.042969 MB of memory in use. ENERGY: 143400 736.4895 2110.9533 1953.7131 112.0772 -206080.0834 17675.3603 0.0000 0.0000 34199.8968 -149291.5931 298.6762 -183491.4899 -149194.8191 298.7108 -18.8853 7.7711 557449.4832 11.7648 11.8620 PRESSURE: 143600 -95.1437 46.5902 144.122 46.5905 -71.5483 2.73087 144.123 2.73012 -352.749 GPRESSURE: 143600 -14.5387 19.5705 94.7329 89.6388 -73.4793 -8.9593 128.191 -45.8347 -334.945 PRESSAVG: 143600 18.7228 6.09558 42.7789 6.09562 -8.89071 56.7414 42.7789 56.7413 -15.2079 GPRESSAVG: 143600 19.0056 4.24034 42.0146 6.77974 -9.26235 56.2408 42.5496 56.0047 -15.5231 TIMING: 143600 CPU: 428.504, 0.00301126/step Wall: 428.504, 0.00301126/step, 4.06219 hours remaining, 204.042969 MB of memory in use. ENERGY: 143600 751.3292 2127.1050 1943.1577 111.8459 -205645.7261 17480.6232 0.0000 0.0000 34093.5420 -149138.1231 297.7474 -183231.6652 -149033.7411 299.0207 -173.1470 -140.9876 558193.7112 -1.7920 -1.9266 PRESSURE: 143800 -57.2452 -154.162 108.989 -154.162 86.0326 82.5181 108.987 82.5189 295.634 GPRESSURE: 143800 36.0907 -165.889 146.305 -168.264 93.867 83.4465 45.9544 46.9695 296.191 PRESSAVG: 143800 21.6054 3.44026 -2.70585 3.44042 -5.54519 84.9832 -2.70592 84.9833 3.29147 GPRESSAVG: 143800 21.7251 4.30179 -2.62087 0.537873 -5.92173 85.8288 -1.80345 83.9369 3.45136 TIMING: 143800 CPU: 429.102, 0.00299091/step Wall: 429.102, 0.00299091/step, 4.03458 hours remaining, 204.042969 MB of memory in use. ENERGY: 143800 756.1980 2132.5786 1943.3362 100.3047 -206380.0070 17960.1649 0.0000 0.0000 34401.2520 -149086.1726 300.4347 -183487.4246 -148986.5434 299.5995 108.1403 142.0494 557075.6079 6.4505 6.4182 PRESSURE: 144000 -239.412 -74.3143 -37.4714 -74.3151 -31.2803 98.4448 -37.4702 98.4444 92.1572 GPRESSURE: 144000 -211.116 -74.1798 -89.4207 -55.9413 2.82773 88.508 -78.3052 102.203 126.39 PRESSAVG: 144000 10.9136 -19.6509 16.5533 -19.6508 -32.8289 -12.284 16.5533 -12.2838 36.3504 GPRESSAVG: 144000 10.7825 -19.0838 17.2487 -18.9841 -31.5766 -12.8779 14.2988 -11.4478 35.254 TIMING: 144000 CPU: 429.701, 0.00299565/step Wall: 429.701, 0.00299565/step, 4.04079 hours remaining, 204.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 144000 754.3494 2108.5825 1930.5671 110.6458 -205957.5778 17723.2460 0.0000 0.0000 34333.5605 -148996.6265 299.8435 -183330.1870 -148899.1990 299.8586 -59.5117 -27.2994 557631.6596 4.8117 4.8199 PRESSURE: 144200 -30.8106 9.08397 193.503 9.08406 -135.241 54.8246 193.503 54.8257 96.36 GPRESSURE: 144200 2.44558 -0.515877 199.201 -19.1282 -63.8156 61.5781 182.481 -45.8687 90.4977 PRESSAVG: 144200 32.4649 -10.4634 -1.93511 -10.4635 6.92422 -8.05199 -1.93515 -8.05207 -37.3611 GPRESSAVG: 144200 33.5572 -9.86121 -1.00912 -10.9801 7.4743 -9.13481 -0.247088 -5.78896 -38.4867 TIMING: 144200 CPU: 430.299, 0.00298804/step Wall: 430.299, 0.00298804/step, 4.03037 hours remaining, 204.042969 MB of memory in use. ENERGY: 144200 742.5921 2117.0945 1925.8433 118.0977 -206365.7713 17750.0196 0.0000 0.0000 34581.6688 -149130.4554 302.0103 -183712.1242 -149035.3535 300.2788 -23.2307 9.7092 556977.8131 0.6760 0.8483 LDB: ============= START OF LOAD BALANCING ============== 433.847 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 433.847 LDB: =============== DONE WITH MIGRATION ================ 433.849 LDB: ============= START OF LOAD BALANCING ============== 434.149 LDB: Largest compute 4795 load 0.028198 is 23.9% of average load 0.118044 LDB: Average compute 0.001730 is 1.5% of average load 0.118044 LDB: TIME 434.151 LOAD: AVG 0.118044 MAX 0.210732 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.812 MB LDB: TIME 434.152 LOAD: AVG 0.118044 MAX 0.210732 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.828 MB LDB: TIME 434.152 LOAD: AVG 0.118044 MAX 0.210732 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.828 MB LDB: ============== END OF LOAD BALANCING =============== 434.154 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 434.158 PRESSURE: 144400 100.531 57.3813 -69.4725 57.3811 -184.798 147.32 -69.4744 147.319 -8.74793 GPRESSURE: 144400 135.726 34.5786 -149.006 57.1222 -116.159 100.903 -49.9844 132.258 -7.04096 PRESSAVG: 144400 -13.3815 -53.2629 -4.27694 -53.2628 38.3172 4.87496 -4.27694 4.87497 31.5423 GPRESSAVG: 144400 -14.4428 -53.2482 -5.19075 -53.8512 36.3201 5.35052 -4.84754 3.0566 34.1405 TIMING: 144400 CPU: 430.908, 0.00304767/step Wall: 430.908, 0.00304767/step, 4.11063 hours remaining, 207.117188 MB of memory in use. ENERGY: 144400 749.4763 2051.0949 1927.9747 123.0902 -206350.6515 17962.3986 0.0000 0.0000 34490.7126 -149045.9043 301.2160 -183536.6169 -148953.2632 299.5639 -31.0050 4.1751 557871.8973 18.8260 18.6726 PRESSURE: 144600 -411.851 104.248 1.11682 104.246 -179.539 86.7939 1.11685 86.795 -36.5742 GPRESSURE: 144600 -365.968 126.817 -30.4542 48.3804 -165.146 88.8353 10.7881 90.7882 -1.3291 PRESSAVG: 144600 -4.28821 -3.91026 12.9271 -3.91029 30.1671 -46.7646 12.9271 -46.7647 -20.579 GPRESSAVG: 144600 -3.02916 -4.91074 14.761 -2.24962 30.8353 -46.5522 12.3028 -47.2187 -22.3225 TIMING: 144600 CPU: 431.501, 0.00296636/step Wall: 431.501, 0.00296636/step, 4.0008 hours remaining, 207.261719 MB of memory in use. ENERGY: 144600 765.7084 2049.8185 1903.0099 123.9157 -205689.0566 17485.9527 0.0000 0.0000 34317.3457 -149043.3058 299.7019 -183360.6514 -148945.4197 300.0534 -209.3212 -177.4809 559823.1546 1.7667 1.8279 PRESSURE: 144800 -269.996 16.2578 256.814 16.2571 11.5864 -42.4026 256.814 -42.403 -202.89 GPRESSURE: 144800 -214.063 18.4784 215.822 -9.48684 70.9729 -35.9239 145.866 -38.3922 -223.506 PRESSAVG: 144800 -33.2265 7.18854 25.2646 7.18848 62.4846 -14.6125 25.2645 -14.6125 -1.98022 GPRESSAVG: 144800 -33.7909 7.27171 25.7443 6.42667 62.2182 -14.252 24.9426 -14.7868 -0.771003 TIMING: 144800 CPU: 432.096, 0.00297559/step Wall: 432.096, 0.00297559/step, 4.01309 hours remaining, 207.261719 MB of memory in use. ENERGY: 144800 753.0815 2029.1610 1945.6293 116.7695 -205902.3594 17697.1357 0.0000 0.0000 34257.7611 -149102.8213 299.1815 -183360.5824 -149007.3521 299.2669 -153.7668 -122.1987 560786.3081 9.0926 9.2188 PRESSURE: 145000 -41.9783 -145.1 2.09069 -145.1 -254.504 -3.396 2.09073 -3.39562 296.335 GPRESSURE: 145000 -14.4766 -164.723 12.2396 -122.758 -201.767 1.6353 -50.8388 48.7508 312.488 PRESSAVG: 145000 -64.3587 -49.1567 28.7809 -49.1566 40.1849 33.2288 28.7808 33.2288 39.8763 GPRESSAVG: 145000 -63.3781 -47.9034 25.209 -48.3261 39.5737 31.5135 27.6449 36.9811 39.4664 TIMING: 145000 CPU: 432.689, 0.00296082/step Wall: 432.689, 0.00296081/step, 3.99299 hours remaining, 207.261719 MB of memory in use. ENERGY: 145000 733.9078 2064.2840 1923.2581 133.7868 -206023.7629 17760.0819 0.0000 0.0000 34401.9499 -149006.4944 300.4408 -183408.4443 -148911.6245 299.3968 -0.0492 32.0815 558060.9437 5.2342 5.2207 PRESSURE: 145200 -11.6119 -39.8052 -82.7488 -39.8066 114.706 -52.2302 -82.7494 -52.2306 -68.3789 GPRESSURE: 145200 66.4745 -21.3728 -86.9559 5.96288 123.306 -63.1959 -68.8309 -73.094 -68.0764 PRESSAVG: 145200 -9.44418 -22.0367 -13.0783 -22.0368 -6.2114 38.5818 -13.0784 38.5819 5.90046 GPRESSAVG: 145200 -9.81421 -22.8769 -10.3721 -21.3105 -5.32976 40.6539 -12.1958 36.7858 5.42388 TIMING: 145200 CPU: 433.286, 0.00298756/step Wall: 433.286, 0.00298756/step, 4.02889 hours remaining, 207.261719 MB of memory in use. ENERGY: 145200 759.4726 2074.3872 1927.7553 109.0244 -205991.6578 17749.2442 0.0000 0.0000 34548.8443 -148822.9297 301.7237 -183371.7740 -148725.0736 299.5286 11.5717 40.5681 558664.4932 -3.2517 -3.2400 PRESSURE: 145400 11.8805 -6.56681 61.9387 -6.56803 66.2756 -36.9606 61.9389 -36.9611 55.9948 GPRESSURE: 145400 18.544 -21.0203 118.128 7.11457 107.084 -114.99 100.555 -11.4584 110.198 PRESSAVG: 145400 4.40808 15.0529 -2.62652 15.053 11.6017 -4.78299 -2.62656 -4.78297 -32.4144 GPRESSAVG: 145400 4.23481 14.9213 -3.76384 15.2253 10.7307 -5.57647 -3.70877 -6.22379 -31.4693 TIMING: 145400 CPU: 433.883, 0.00298225/step Wall: 433.883, 0.00298225/step, 4.02156 hours remaining, 207.261719 MB of memory in use. ENERGY: 145400 734.8418 2094.7467 1931.9900 117.4568 -205522.3014 17630.7580 0.0000 0.0000 34145.6243 -148866.8837 298.2022 -183012.5080 -148766.2843 299.8319 44.7170 78.6087 557786.0224 -5.4682 -5.5013 PRESSURE: 145600 -319.578 111.011 -70.1448 111.011 -103.701 -5.04686 -70.1445 -5.0466 13.967 GPRESSURE: 145600 -286.97 157.713 -85.8502 34.8118 -56.3653 -13.4883 -98.2398 -35.3852 38.9516 PRESSAVG: 145600 12.3682 -3.47119 59.4199 -3.47124 -49.0792 -24.6207 59.4199 -24.6207 47.4422 GPRESSAVG: 145600 12.4459 -1.50149 59.0637 -4.91951 -48.9778 -25.1487 61.0576 -24.2326 47.7291 TIMING: 145600 CPU: 434.476, 0.00296894/step Wall: 434.476, 0.00296894/step, 4.00345 hours remaining, 207.261719 MB of memory in use. ENERGY: 145600 749.0708 2045.3787 1923.5614 105.4275 -205521.9577 17325.7522 0.0000 0.0000 34323.7099 -149049.0572 299.7575 -183372.7671 -148953.7028 299.5019 -136.4375 -101.4613 556739.8009 3.5771 3.7324 PRESSURE: 145800 -31.8189 72.0903 -158.594 72.0903 2.46774 -38.2239 -158.594 -38.225 -162.533 GPRESSURE: 145800 -42.7559 74.9334 -181.064 87.7043 21.5885 -1.09542 -190.094 31.9393 -71.9454 PRESSAVG: 145800 55.9684 54.154 8.20527 54.1541 20.5862 -39.6804 8.2052 -39.6804 -61.1349 GPRESSAVG: 145800 57.1292 52.766 7.2971 54.8304 20.4161 -39.3577 9.02443 -40.4177 -62.1521 TIMING: 145800 CPU: 435.073, 0.00298305/step Wall: 435.073, 0.00298305/step, 4.02231 hours remaining, 207.261719 MB of memory in use. ENERGY: 145800 759.6698 2085.7985 1942.9218 107.9767 -205656.8352 17536.6404 0.0000 0.0000 34182.6712 -149041.1566 298.5258 -183223.8279 -148941.2574 299.8284 -63.9614 -31.0376 557490.6575 5.1399 5.1311 PRESSURE: 146000 63.1493 9.09531 -112.425 9.09476 12.5445 -109.431 -112.426 -109.431 52.4516 GPRESSURE: 146000 144.297 -35.6472 -83.6434 107.47 10.0407 -118.946 -90.9791 -162.03 68.4061 PRESSAVG: 146000 52.6102 0.908498 -49.0076 0.908442 18.9999 -3.27566 -49.0076 -3.27562 -56.5372 GPRESSAVG: 146000 51.9373 -1.21973 -48.079 1.07529 19.818 -0.940019 -50.0789 -1.9291 -56.85 TIMING: 146000 CPU: 435.672, 0.00299546/step Wall: 435.672, 0.00299546/step, 4.03887 hours remaining, 207.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 146000 710.3857 2133.5084 1945.9253 115.2166 -205884.7830 17704.2361 0.0000 0.0000 34427.6886 -148847.8224 300.6656 -183275.5110 -148755.7369 300.0869 42.7151 74.2480 556688.7594 5.0243 4.9684 PRESSURE: 146200 -94.6031 -115.505 115.617 -115.504 -219.204 -27.2439 115.618 -27.2447 5.26214 GPRESSURE: 146200 -77.6894 -38.4725 97.9021 -217.291 -207.27 -23.0164 112.089 -3.0375 80.3672 PRESSAVG: 146200 36.5729 -17.8658 27.6606 -17.8659 -62.8301 -9.49805 27.6606 -9.49803 41.5955 GPRESSAVG: 146200 37.2652 -17.2592 26.5747 -18.0227 -63.2534 -11.4379 27.4315 -10.6227 41.4714 TIMING: 146200 CPU: 436.27, 0.00298752/step Wall: 436.27, 0.00298752/step, 4.028 hours remaining, 207.390625 MB of memory in use. ENERGY: 146200 773.7738 2078.8588 1940.1242 107.3087 -205741.1713 17640.7521 0.0000 0.0000 34592.8015 -148607.5522 302.1075 -183200.3537 -148512.9446 300.9429 -102.8482 -68.1975 557852.9812 5.1128 5.1611 PRESSURE: 146400 -70.0087 -96.6402 82.0582 -96.6398 -287.446 104.839 82.0572 104.839 -45.5232 GPRESSURE: 146400 -19.4022 -110.037 19.4154 -97.1179 -215.769 123.437 122.643 116.327 -79.6326 PRESSAVG: 146400 23.23 -54.7443 44.5919 -54.7443 -39.1489 42.1707 44.592 42.1707 37.0189 GPRESSAVG: 146400 23.7451 -53.8655 46.7587 -55.8153 -38.374 42.1894 44.4428 44.8118 36.2946 TIMING: 146400 CPU: 436.867, 0.00298824/step Wall: 436.867, 0.00298824/step, 4.02882 hours remaining, 207.390625 MB of memory in use. ENERGY: 146400 764.3597 2088.6380 1948.6533 111.9107 -205564.6372 17510.2227 0.0000 0.0000 34378.3713 -148762.4813 300.2349 -183140.8527 -148667.4497 301.7081 -134.3260 -104.9346 557926.6915 7.0333 7.2219 PRESSURE: 146600 -65.7723 47.2678 -108.42 47.2679 -195.24 -37.724 -108.422 -37.7231 -59.0293 GPRESSURE: 146600 -70.982 78.591 -123.749 68.4241 -100.334 -65.4833 -66.8358 -36.5181 -61.2121 PRESSAVG: 146600 12.5398 11.6538 -39.5883 11.6537 24.8418 45.6199 -39.5883 45.6199 -30.3834 GPRESSAVG: 146600 11.3025 12.3648 -40.7187 12.0829 25.2837 45.984 -39.6775 44.3804 -29.3797 TIMING: 146600 CPU: 437.467, 0.00299821/step Wall: 437.467, 0.00299821/step, 4.04208 hours remaining, 207.390625 MB of memory in use. ENERGY: 146600 775.4601 2065.5527 1914.7482 116.9838 -205778.2072 17784.2862 0.0000 0.0000 34420.1377 -148701.0385 300.5996 -183121.1762 -148602.1173 300.7829 -106.6805 -77.5093 559825.1178 2.3328 2.4022 PRESSURE: 146800 106.238 80.2893 63.3443 80.2896 228.466 -72.6563 63.3431 -72.6554 -393.669 GPRESSURE: 146800 142.067 58.0473 59.0134 78.8356 217.5 -130.372 145.159 -12.2157 -317.93 PRESSAVG: 146800 -11.9412 -14.1944 -59.3868 -14.1944 13.8209 -8.47569 -59.3867 -8.47563 39.4676 GPRESSAVG: 146800 -10.994 -14.6046 -60.3647 -12.7932 13.196 -9.9123 -58.2693 -8.59801 39.3005 TIMING: 146800 CPU: 438.063, 0.00298009/step Wall: 438.063, 0.00298009/step, 4.01749 hours remaining, 207.390625 MB of memory in use. ENERGY: 146800 723.4704 2083.3988 1929.9409 127.4455 -205614.9287 17808.3616 0.0000 0.0000 34261.3271 -148680.9845 299.2127 -182942.3116 -148586.2700 300.2471 -19.6549 13.8790 560956.7260 13.7824 13.8342 PRESSURE: 147000 -136.304 -104.532 -137.068 -104.531 -335.657 -55.2171 -137.067 -55.2168 -131.056 GPRESSURE: 147000 -139.826 -111.503 -152.15 -67.0624 -292.113 -91.6843 -72.7931 -42.6936 -68.9525 PRESSAVG: 147000 59.2615 -6.10192 -42.1264 -6.10199 -19.0608 -67.2779 -42.1263 -67.2778 -44.1602 GPRESSAVG: 147000 58.9491 -6.39745 -41.297 -7.53676 -18.6758 -65.9853 -43.7279 -69.0524 -44.066 TIMING: 147000 CPU: 438.661, 0.00299199/step Wall: 438.661, 0.00299199/step, 4.03337 hours remaining, 207.390625 MB of memory in use. ENERGY: 147000 719.2427 2080.9324 1923.8107 116.7685 -205236.2161 17345.3187 0.0000 0.0000 34369.3748 -148680.7683 300.1563 -183050.1431 -148577.2267 299.9835 -201.0054 -166.9636 559930.2788 -1.3198 -1.2642 PRESSURE: 147200 11.8365 90.6166 97.5217 90.6157 74.8593 24.1381 97.5209 24.1383 -183.879 GPRESSURE: 147200 27.6771 42.3806 88.8656 75.296 119.65 -104.788 56.4527 83.8057 -149.187 PRESSAVG: 147200 -7.441 13.076 -41.4694 13.0761 -31.4206 11.7607 -41.4695 11.7605 50.9141 GPRESSAVG: 147200 -7.73193 13.6201 -41.3063 13.9752 -31.4809 9.97779 -42.3862 12.6219 51.4121 TIMING: 147200 CPU: 439.262, 0.00300521/step Wall: 439.262, 0.00300521/step, 4.05103 hours remaining, 207.507812 MB of memory in use. ENERGY: 147200 775.5891 2053.1514 1940.0986 115.5275 -205956.9877 17761.1077 0.0000 0.0000 34319.8703 -148991.6430 299.7240 -183311.5133 -148899.9226 300.4864 -32.3944 -0.6199 557257.2680 4.0175 4.0664 PRESSURE: 147400 224.456 -40.441 -14.5841 -40.4417 105.49 111.267 -14.5847 111.267 127.984 GPRESSURE: 147400 255.887 -57.384 0.903776 -67.8962 133.62 162.914 -24.6173 25.0543 153.589 PRESSAVG: 147400 6.08119 39.7494 -71.8455 39.7494 20.0689 53.6011 -71.8454 53.601 -37.8281 GPRESSAVG: 147400 5.46282 39.8272 -70.9926 38.4269 20.3988 54.0328 -69.0557 52.0488 -37.8547 TIMING: 147400 CPU: 439.858, 0.00298039/step Wall: 439.858, 0.00298039/step, 4.0174 hours remaining, 207.507812 MB of memory in use. ENERGY: 147400 741.1276 2087.4218 1917.9041 116.2697 -206188.8308 17930.8905 0.0000 0.0000 34245.7516 -149149.4656 299.0767 -183395.2171 -149065.7310 299.6123 152.6432 181.0321 557138.0466 -3.8927 -3.9977 PRESSURE: 147600 -51.0209 71.0644 153.716 71.0637 -228.983 -72.5655 153.716 -72.5661 113.647 GPRESSURE: 147600 -83.5468 17.0512 165.465 29.7773 -115.772 -86.7345 129.794 -10.6247 128.686 PRESSAVG: 147600 -76.822 0.401732 30.8561 0.401827 47.3477 32.1953 30.856 32.1953 1.31765 GPRESSAVG: 147600 -76.7814 -0.081628 32.3942 1.28544 47.8975 32.6366 27.6135 34.9385 0.614325 TIMING: 147600 CPU: 440.456, 0.00298782/step Wall: 440.456, 0.00298782/step, 4.02725 hours remaining, 207.507812 MB of memory in use. ENERGY: 147600 741.8996 2078.0288 1963.3560 103.2177 -205932.7541 17674.3799 0.0000 0.0000 34222.4654 -149149.4067 298.8733 -183371.8721 -149046.8691 299.0531 -55.4524 -23.5443 557719.0362 -9.3855 -9.4232 PRESSURE: 147800 -103.782 -15.3252 -38.7999 -15.3247 -110.161 27.6107 -38.7994 27.6096 -295.213 GPRESSURE: 147800 -83.7662 40.6527 -73.3408 -69.4797 -6.89789 68.4384 -5.32164 -13.1869 -307.897 PRESSAVG: 147800 29.9698 -15.4161 12.6113 -15.416 -26.1615 -15.5084 12.6113 -15.5083 0.0769587 GPRESSAVG: 147800 29.6695 -14.1492 9.65783 -17.7246 -27.0461 -14.7979 14.7865 -15.6734 1.60855 TIMING: 147800 CPU: 441.05, 0.00296903/step Wall: 441.05, 0.00296903/step, 4.00175 hours remaining, 207.507812 MB of memory in use. ENERGY: 147800 797.7071 2166.8090 1929.9968 108.6261 -205996.8829 17586.1565 0.0000 0.0000 34196.0914 -149211.4960 298.6430 -183407.5874 -149116.6902 299.5821 -169.7186 -132.8537 558198.9999 1.2951 1.4107 PRESSURE: 148000 218.651 -124.345 80.8658 -124.343 163.624 -2.67007 80.8646 -2.66921 53.191 GPRESSURE: 148000 300.389 -141.303 100.156 -100.397 148.484 -34.2535 -20.7603 9.13896 91.5272 PRESSAVG: 148000 44.1463 22.4675 -9.82465 22.4675 67.5044 -18.1198 -9.82463 -18.1199 -78.5961 GPRESSAVG: 148000 44.6894 22.7032 -8.06466 22.6893 66.9985 -19.5511 -10.3549 -17.8663 -79.4261 TIMING: 148000 CPU: 441.647, 0.00298554/step Wall: 441.647, 0.00298554/step, 4.02384 hours remaining, 207.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 148000 731.2415 2009.3646 1986.4004 111.0828 -206340.6603 18044.0952 0.0000 0.0000 34190.0956 -149268.3801 298.5906 -183458.4757 -149165.8218 298.9708 145.1555 180.1334 557992.2601 11.0182 10.7539 PRESSURE: 148200 -192.345 -77.2243 20.9522 -77.2252 -368.269 80.2775 20.9518 80.2784 -204.275 GPRESSURE: 148200 -131.104 -63.6609 -12.4531 -128.95 -381.878 4.55634 39.4823 114.475 -167.926 PRESSAVG: 148200 48.964 -18.6636 34.9011 -18.6637 -29.2113 31.5365 34.9011 31.5365 10.8535 GPRESSAVG: 148200 48.783 -18.4342 33.4144 -18.8818 -29.2047 32.3125 35.6893 28.165 10.7324 TIMING: 148200 CPU: 442.246, 0.00299372/step Wall: 442.246, 0.00299372/step, 4.0347 hours remaining, 207.507812 MB of memory in use. ENERGY: 148200 778.0976 2094.6522 1957.0639 107.7593 -206233.4691 17720.5009 0.0000 0.0000 34265.1413 -149310.2539 299.2460 -183575.3952 -149209.5173 298.9045 -254.9631 -226.9691 561046.7137 10.2020 10.1035 LDB: ============= START OF LOAD BALANCING ============== 445.794 LDB: ============== END OF LOAD BALANCING =============== 445.794 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 445.795 LDB: ============= START OF LOAD BALANCING ============== 446.095 LDB: Largest compute 4795 load 0.027198 is 23.0% of average load 0.118015 LDB: Average compute 0.001732 is 1.5% of average load 0.118015 LDB: TIME 446.098 LOAD: AVG 0.118015 MAX 0.210254 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.586 MB LDB: TIME 446.098 LOAD: AVG 0.118015 MAX 0.210254 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.68 MB LDB: TIME 446.098 LOAD: AVG 0.118015 MAX 0.210254 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.68 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 446.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 446.104 PRESSURE: 148400 -33.4312 -27.9572 -22.2232 -27.9568 56.9463 23.9467 -22.2217 23.9471 -45.4037 GPRESSURE: 148400 -29.7362 -5.61319 -26.7082 36.4469 109.576 30.3743 40.8638 -57.7201 -10.0049 PRESSAVG: 148400 -1.31279 -8.88938 -17.0763 -8.88938 8.13031 43.9321 -17.0762 43.9321 9.63922 GPRESSAVG: 148400 -0.891658 -8.93679 -15.9947 -6.73032 8.40722 46.5314 -18.2162 44.5285 8.76126 TIMING: 148400 CPU: 442.854, 0.00304418/step Wall: 442.854, 0.00304418/step, 4.10254 hours remaining, 205.378906 MB of memory in use. ENERGY: 148400 729.0167 2107.8766 1924.0014 110.3492 -206180.8452 17774.1614 0.0000 0.0000 34221.1374 -149314.3025 298.8617 -183535.4399 -149220.9734 298.9906 -7.2962 23.2782 559911.6581 5.4856 5.4256 PRESSURE: 148600 107.962 -34.2648 -111.751 -34.2643 177.421 -140.531 -111.751 -140.53 57.6672 GPRESSURE: 148600 173.973 -36.8326 -69.3657 -119.887 206.466 -144.042 -67.3775 -160.928 62.5696 PRESSAVG: 148600 -32.8973 -27.6917 -13.2578 -27.6917 64.0735 -21.1245 -13.2577 -21.1244 -1.7694 GPRESSAVG: 148600 -33.8594 -29.0806 -13.3037 -28.5474 64.9506 -22.6009 -13.1622 -19.3811 -1.58761 TIMING: 148600 CPU: 443.452, 0.00298533/step Wall: 443.452, 0.00298533/step, 4.02306 hours remaining, 205.582031 MB of memory in use. ENERGY: 148600 737.4340 2099.3912 1956.7886 127.2473 -206500.9563 17928.6532 0.0000 0.0000 34348.2924 -149303.1496 299.9722 -183651.4420 -149217.6149 299.1429 114.3500 147.6695 555974.3787 9.8022 9.8345 PRESSURE: 148800 75.8336 20.7579 -87.3737 20.759 113.596 61.2464 -87.3749 61.2459 0.714283 GPRESSURE: 148800 192.738 71.7683 -207.839 -56.4815 77.0379 34.8778 -82.4271 -19.2692 10.0928 PRESSAVG: 148800 10.7259 18.2495 -11.8096 18.2496 -10.6975 -27.2623 -11.8096 -27.2623 -46.9384 GPRESSAVG: 148800 10.8391 17.9587 -13.3429 18.1077 -10.7762 -31.0682 -10.8492 -26.7333 -47.041 TIMING: 148800 CPU: 444.054, 0.0030099/step Wall: 444.054, 0.0030099/step, 4.05601 hours remaining, 205.839844 MB of memory in use. ENERGY: 148800 736.0199 2141.3332 1955.3569 97.0601 -206208.9949 17762.3472 0.0000 0.0000 34276.8437 -149240.0339 299.3482 -183516.8777 -149137.4536 299.0901 63.3814 93.2896 555826.8381 -15.6367 -15.6594 PRESSURE: 149000 -205.669 -151.698 59.8629 -151.698 -294.781 52.3062 59.8631 52.3062 -19.6202 GPRESSURE: 149000 -153.647 -123.121 121.409 -149.05 -268.403 55.557 68.0497 23.5617 7.08448 PRESSAVG: 149000 28.5006 -36.7842 34.6224 -36.7842 42.8169 11.3025 34.6225 11.3025 -60.5862 GPRESSAVG: 149000 28.2689 -35.8784 34.3988 -37.3374 42.5146 12.3154 35.705 9.63927 -60.2223 TIMING: 149000 CPU: 444.657, 0.00301519/step Wall: 444.657, 0.00301519/step, 4.06296 hours remaining, 205.839844 MB of memory in use. ENERGY: 149000 776.7241 2085.7246 1946.1943 112.5578 -206243.5277 17545.6267 0.0000 0.0000 34346.9302 -149429.7700 299.9603 -183776.7002 -149333.6635 298.9700 -173.3568 -138.3216 556141.5716 3.5771 3.5204 PRESSURE: 149200 51.2489 13.7254 12.311 13.7272 -260.549 76.0135 12.3099 76.0131 -244.836 GPRESSURE: 149200 25.7471 100.587 91.3639 -10.2445 -227.71 91.855 15.8612 98.2981 -162.816 PRESSAVG: 149200 34.3541 -12.45 16.3674 -12.45 -50.0903 20.5139 16.3675 20.514 -20.2481 GPRESSAVG: 149200 34.0251 -13.8079 17.9428 -10.6299 -49.6346 21.9592 14.3343 21.8617 -20.6563 TIMING: 149200 CPU: 445.255, 0.00299369/step Wall: 445.255, 0.00299369/step, 4.03383 hours remaining, 205.839844 MB of memory in use. ENERGY: 149200 759.0126 2102.9834 1928.5163 111.5448 -206410.0167 17691.1816 0.0000 0.0000 34425.8389 -149390.9391 300.6494 -183816.7780 -149307.2080 299.4501 -151.3787 -121.5930 557456.2852 -11.9948 -12.0886 PRESSURE: 149400 -131.142 -18.0483 132.328 -18.048 -250.94 -11.5893 132.329 -11.59 -75.8757 GPRESSURE: 149400 -53.7282 48.6923 78.225 -21.9355 -290.948 -38.8052 223.06 -78.947 -33.0685 PRESSAVG: 149400 60.9319 -57.4036 -8.63023 -57.4036 -90.8912 15.7385 -8.63024 15.7386 -9.65694 GPRESSAVG: 149400 62.5098 -55.3903 -8.97484 -59.695 -92.0976 14.2897 -9.76656 13.9054 -10.6841 TIMING: 149400 CPU: 445.85, 0.0029731/step Wall: 445.85, 0.0029731/step, 4.00593 hours remaining, 205.839844 MB of memory in use. ENERGY: 149400 729.3858 2133.2240 1952.1227 110.0092 -206177.3450 17552.5814 0.0000 0.0000 34336.9304 -149363.0914 299.8730 -183700.0219 -149266.7349 298.9620 -152.6525 -125.9148 557547.8601 -13.2054 -13.4240 PRESSURE: 149600 -55.0039 -108.525 -82.1489 -108.524 -106.579 -33.4148 -82.1488 -33.4137 21.1592 GPRESSURE: 149600 9.85324 -105.272 -27.8408 -44.2516 -127.963 -6.45498 -88.7457 -38.9691 72.5731 PRESSAVG: 149600 -25.5476 -10.4618 38.9699 -10.4618 -38.528 5.37127 38.97 5.37119 8.10997 GPRESSAVG: 149600 -26.8613 -12.1607 37.5218 -9.22047 -37.2471 7.52965 39.4683 6.59999 8.36252 TIMING: 149600 CPU: 446.443, 0.00296345/step Wall: 446.443, 0.00296345/step, 3.99276 hours remaining, 205.839844 MB of memory in use. ENERGY: 149600 728.9158 2097.3820 1945.4982 116.5477 -205988.7436 17792.5682 0.0000 0.0000 33958.9187 -149348.9130 296.5717 -183307.8317 -149257.2532 298.7878 -46.8078 -15.1790 559507.1406 -18.6552 -18.5820 PRESSURE: 149800 -294.405 -20.813 122.722 -20.8142 -95.7559 -118.667 122.723 -118.668 -131.854 GPRESSURE: 149800 -239.531 -21.9394 81.1331 -29.1247 -58.7565 -115.507 87.3048 -187.856 -132.225 PRESSAVG: 149800 -13.7524 -6.56178 33.7354 -6.56174 21.1811 -20.7568 33.7354 -20.7568 -56.1941 GPRESSAVG: 149800 -13.636 -5.60376 33.3925 -6.55955 20.6174 -22.8991 35.8858 -20.9785 -55.5018 TIMING: 149800 CPU: 447.034, 0.00295897/step Wall: 447.034, 0.00295897/step, 3.98655 hours remaining, 205.839844 MB of memory in use. ENERGY: 149800 749.2033 2061.7738 1948.0276 113.2185 -206029.5107 17633.8841 0.0000 0.0000 34041.5641 -149481.8393 297.2934 -183523.4034 -149389.5665 298.6247 -174.0050 -143.5042 558632.1777 -16.2551 -16.1735 PRESSURE: 150000 125.677 71.7552 5.83788 71.7563 -37.8368 149.897 5.83781 149.897 156.231 GPRESSURE: 150000 107.622 113.527 63.5064 18.5072 81.5252 142.175 -47.4051 108.325 163.407 PRESSAVG: 150000 23.7363 3.34453 -7.64918 3.34457 18.0405 11.4699 -7.64923 11.4698 -39.3922 GPRESSAVG: 150000 23.6043 4.38302 -7.25507 3.2391 17.4698 10.5382 -8.42981 11.1076 -39.29 TIMING: 150000 CPU: 447.63, 0.00297841/step Wall: 447.63, 0.00297841/step, 4.01258 hours remaining, 205.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 150000 750.2331 2093.1179 1953.5353 115.7789 -206737.9748 17994.7621 0.0000 0.0000 34198.8327 -149631.7147 298.6669 -183830.5474 -149532.6906 297.7215 81.3573 117.5180 556593.7654 0.7948 0.5947 PRESSURE: 150200 -42.6108 206.535 -1.07757 206.536 -22.814 -164.137 -1.07695 -164.136 191.277 GPRESSURE: 150200 -6.08446 210.081 -71.1201 214.959 -9.76616 -216.653 -41.5154 -95.1371 229.849 PRESSAVG: 150200 -35.268 20.6242 4.64356 20.6243 21.4313 -1.98768 4.64353 -1.98783 -15.6214 GPRESSAVG: 150200 -35.2187 19.1274 4.36569 20.0849 23.1639 -0.923987 4.40655 -0.749793 -17.1498 TIMING: 150200 CPU: 448.229, 0.00299416/step Wall: 448.229, 0.00299416/step, 4.03363 hours remaining, 205.839844 MB of memory in use. ENERGY: 150200 754.3445 2070.3707 1949.0861 102.9703 -206979.0033 18064.2717 0.0000 0.0000 34443.3554 -149594.6046 300.8024 -184037.9599 -149499.6079 298.4052 41.9507 71.3328 556466.0629 -9.8194 -9.7349 PRESSURE: 150400 -157.359 12.4222 -18.1184 12.4237 -296.37 113.614 -18.118 113.614 -141.497 GPRESSURE: 150400 -95.1112 26.0674 48.5779 -30.5458 -312.293 58.7481 -11.9432 121.447 -87.7367 PRESSAVG: 150400 -20.4683 -5.78531 0.394259 -5.78525 30.1541 16.6981 0.394274 16.6981 10.1385 GPRESSAVG: 150400 -21.6589 -5.89053 -0.124472 -5.17385 29.3901 15.9839 0.52545 17.9159 11.6691 TIMING: 150400 CPU: 448.825, 0.00298067/step Wall: 448.825, 0.00298067/step, 4.0153 hours remaining, 205.839844 MB of memory in use. ENERGY: 150400 746.6325 2089.5550 1964.6930 118.0937 -206016.5645 17382.8017 0.0000 0.0000 34011.8872 -149702.9014 297.0343 -183714.7886 -149600.4803 298.2584 -198.4086 -165.0471 556233.0261 6.6081 6.4668 PRESSURE: 150600 10.9016 -81.4943 116.953 -81.4952 -8.27432 57.1968 116.952 57.1982 214.252 GPRESSURE: 150600 62.8905 -10.9261 112.87 -66.8676 45.9152 31.1802 76.4142 111.586 198.135 PRESSAVG: 150600 -32.3014 34.1428 -6.13885 34.1428 41.1711 -9.62102 -6.13891 -9.62105 -24.7492 GPRESSAVG: 150600 -31.2839 32.8955 -6.38073 35.0361 40.2191 -8.3782 -6.05767 -12.6703 -24.6574 TIMING: 150600 CPU: 449.419, 0.00296886/step Wall: 449.419, 0.00296886/step, 3.99922 hours remaining, 205.839844 MB of memory in use. ENERGY: 150600 764.7901 2094.8421 1954.1436 107.0460 -206709.0701 18022.8528 0.0000 0.0000 34266.5745 -149498.8209 299.2585 -183765.3954 -149406.4329 297.9700 72.2932 102.3136 556208.0701 -5.2932 -5.2407 PRESSURE: 150800 121.565 -50.9452 -4.56974 -50.9455 13.9849 -80.9856 -4.57026 -80.9849 -52.2352 GPRESSURE: 150800 178.501 -27.2829 -83.7947 -7.19297 25.5264 -131.58 15.6989 -61.1765 -26.202 PRESSAVG: 150800 -9.32426 24.1782 78.2716 24.1782 18.5465 -11.703 78.2716 -11.7029 7.83947 GPRESSAVG: 150800 -9.56045 24.4507 79.8293 23.4999 18.0943 -10.7885 78.36 -12.5625 8.23707 TIMING: 150800 CPU: 450.016, 0.00298719/step Wall: 450.016, 0.00298719/step, 4.02374 hours remaining, 205.839844 MB of memory in use. ENERGY: 150800 732.0255 2074.0008 1919.3819 109.4118 -206395.3548 17907.2312 0.0000 0.0000 34109.4557 -149543.8478 297.8864 -183653.3034 -149456.2183 298.7259 27.7717 59.2751 557840.8503 5.6872 5.5903 PRESSURE: 151000 -33.3413 -39.2397 -9.93036 -39.2397 -51.0498 -78.8146 -9.93123 -78.8141 85.0705 GPRESSURE: 151000 13.1646 -94.4745 -43.4117 -67.216 -62.7609 -51.9993 28.3988 -93.2556 134.381 PRESSAVG: 151000 -26.9363 2.99218 42.0377 2.99208 -31.9336 23.8275 42.0378 23.8275 44.3742 GPRESSAVG: 151000 -26.8686 2.93803 42.0878 2.67936 -30.8805 23.0579 40.5525 26.3682 43.3723 TIMING: 151000 CPU: 450.619, 0.00301536/step Wall: 450.619, 0.00301536/step, 4.06152 hours remaining, 205.839844 MB of memory in use. ENERGY: 151000 780.3947 2093.6343 1960.0304 98.3959 -206740.9300 18139.0799 0.0000 0.0000 34213.7674 -149455.6274 298.7973 -183669.3948 -149362.6866 299.0767 0.2265 28.2614 556671.1993 -4.8319 -4.7923 PRESSURE: 151200 -37.3097 -66.1298 58.0141 -66.1291 -165.078 26.5368 58.0142 26.5379 95.9842 GPRESSURE: 151200 -1.56587 -51.3193 28.9873 -98.6567 -128.279 70.9911 129.916 68.0931 132.418 PRESSAVG: 151200 -12.2728 -22.7743 19.1611 -22.7743 9.61562 -31.0852 19.1611 -31.0852 75.8798 GPRESSAVG: 151200 -12.7941 -23.7085 19.5603 -21.1541 10.151 -32.6808 19.2493 -32.1783 76.0613 TIMING: 151200 CPU: 451.221, 0.00300822/step Wall: 451.221, 0.00300822/step, 4.05174 hours remaining, 205.839844 MB of memory in use. ENERGY: 151200 765.2950 2139.6488 1936.9782 113.3192 -206504.8062 17770.9705 0.0000 0.0000 34406.8206 -149371.7739 300.4833 -183778.5945 -149271.4205 299.0750 -35.4677 0.8580 556629.7817 24.4075 24.4727 PRESSURE: 151400 211.658 173.416 73.5477 173.417 115.134 -8.65404 73.5475 -8.65471 124.256 GPRESSURE: 151400 224.288 233.068 52.6761 189.25 126.736 64.742 68.4786 -21.0994 187.869 PRESSAVG: 151400 18.6195 26.9931 -12.9863 26.993 21.2016 -35.5592 -12.9864 -35.5593 -26.6099 GPRESSAVG: 151400 18.3776 28.583 -13.2375 26.2404 20.7182 -32.8901 -11.4024 -37.9024 -25.4929 TIMING: 151400 CPU: 451.819, 0.00298853/step Wall: 451.819, 0.00298853/step, 4.02505 hours remaining, 205.839844 MB of memory in use. ENERGY: 151400 778.7420 2136.3349 1943.7523 129.9246 -206680.6270 18106.0870 0.0000 0.0000 34211.6757 -149374.1106 298.7791 -183585.7862 -149282.7812 298.8101 150.3497 179.6312 556334.2520 4.4037 4.5343 PRESSURE: 151600 -150.696 117.972 315.178 117.971 -260.67 -143.167 315.179 -143.167 -424.637 GPRESSURE: 151600 -167.523 89.8557 240.208 70.3544 -232.423 -100.52 293.594 -82.047 -342.035 PRESSAVG: 151600 -23.333 9.76613 47.1835 9.76616 -43.4941 -28.5922 47.1834 -28.5923 66.1813 GPRESSAVG: 151600 -23.4459 8.95733 45.6744 10.06 -43.0384 -29.6455 47.5613 -27.656 65.8082 TIMING: 151600 CPU: 452.416, 0.00298882/step Wall: 452.416, 0.00298882/step, 4.02528 hours remaining, 205.839844 MB of memory in use. ENERGY: 151600 747.9757 2074.0928 1957.3085 103.8972 -205724.9436 17284.5739 0.0000 0.0000 34100.3054 -149456.7901 297.8064 -183557.0955 -149364.8256 298.3692 -278.6674 -247.3271 557681.5901 -0.2153 -0.2254 PRESSURE: 151800 -290.026 -108.854 159.341 -108.853 -114.65 112.455 159.34 112.456 46.6954 GPRESSURE: 151800 -167.898 -136.954 37.0735 -13.3116 -82.0641 144.939 213.734 76.9368 -0.962438 PRESSAVG: 151800 20.0944 14.55 -8.30371 14.5502 -18.7262 8.93839 -8.30374 8.93835 8.7121 GPRESSAVG: 151800 20.2292 15.529 -7.99218 13.3031 -18.2974 7.24207 -8.1902 10.0654 7.50848 TIMING: 151800 CPU: 453.018, 0.00300784/step Wall: 453.018, 0.00300784/step, 4.05073 hours remaining, 205.839844 MB of memory in use. ENERGY: 151800 743.2153 2082.6594 1928.8734 102.9131 -206279.7323 17531.2289 0.0000 0.0000 34272.3435 -149618.4987 299.3089 -183890.8422 -149516.0621 298.6010 -119.3270 -83.6415 556653.1612 3.3601 3.1467 PRESSURE: 152000 -166.056 11.8075 148.016 11.8071 174.584 32.1541 148.016 32.1542 312.189 GPRESSURE: 152000 -117.558 38.0765 76.2698 53.4488 173.18 147.704 204.563 18.1685 358.478 PRESSAVG: 152000 -32.2082 -27.864 26.6479 -27.8639 7.85404 -1.4352 26.648 -1.43522 36.312 GPRESSAVG: 152000 -32.158 -27.0113 29.2827 -26.4881 6.8242 1.27366 25.2996 -2.35662 37.1259 TIMING: 152000 CPU: 453.612, 0.00296861/step Wall: 453.612, 0.00296861/step, 3.99773 hours remaining, 205.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 152000 733.8604 2068.1837 1948.8669 123.9528 -206214.3320 17839.4581 0.0000 0.0000 34065.0390 -149434.9710 297.4985 -183500.0101 -149341.3811 298.8156 106.9055 138.0332 556947.4121 3.9860 3.9307 PRESSURE: 152200 -252.601 -152.448 -53.762 -152.447 -372.085 -88.2354 -53.7634 -88.2363 -333.711 GPRESSURE: 152200 -214.874 -179.846 -29.8219 -89.8554 -363.842 -79.499 -100.275 -101.541 -297.323 PRESSAVG: 152200 34.8164 -69.4797 4.11778 -69.4796 41.4686 -51.67 4.11763 -51.6701 -48.4035 GPRESSAVG: 152200 34.7389 -69.6778 1.66563 -69.7283 40.9134 -52.045 4.85203 -51.2487 -47.8184 TIMING: 152200 CPU: 454.214, 0.00300977/step Wall: 454.214, 0.00300977/step, 4.05299 hours remaining, 205.890625 MB of memory in use. ENERGY: 152200 783.0296 2085.9061 1926.5240 112.6579 -205822.1193 17303.7368 0.0000 0.0000 34048.0196 -149562.2454 297.3498 -183610.2650 -149467.7738 299.3184 -319.4657 -292.0129 556310.8931 9.2939 9.2779 LDB: ============= START OF LOAD BALANCING ============== 457.769 LDB: ============== END OF LOAD BALANCING =============== 457.769 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 457.77 LDB: ============= START OF LOAD BALANCING ============== 458.073 LDB: Largest compute 4795 load 0.027361 is 23.2% of average load 0.117949 LDB: Average compute 0.001736 is 1.5% of average load 0.117949 LDB: TIME 458.076 LOAD: AVG 0.117949 MAX 0.212814 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.098 MB LDB: TIME 458.076 LOAD: AVG 0.117949 MAX 0.212814 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.098 MB LDB: TIME 458.076 LOAD: AVG 0.117949 MAX 0.212814 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.098 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 458.078 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 458.082 PRESSURE: 152400 -39.4417 51.6525 58.7995 51.6531 112.087 -14.3203 58.7997 -14.3204 185.867 GPRESSURE: 152400 17.0111 100.46 48.0362 39.1498 114.583 -115.314 32.9704 3.12626 224.235 PRESSAVG: 152400 13.5054 -82.4738 -4.91154 -82.4737 -75.6488 -87.266 -4.91152 -87.2659 30.0942 GPRESSAVG: 152400 13.3658 -82.2658 -3.77265 -83.5218 -75.7292 -88.4546 -5.46284 -87.9602 30.2881 TIMING: 152400 CPU: 454.832, 0.00309136/step Wall: 454.832, 0.00309136/step, 4.16269 hours remaining, 206.238281 MB of memory in use. ENERGY: 152400 760.8032 2114.3682 1966.5054 113.0246 -206423.9114 17897.5376 0.0000 0.0000 34097.2578 -149474.4146 297.7798 -183571.6724 -149379.5960 298.0078 86.1707 118.6094 556134.5992 -10.6831 -10.6918 PRESSURE: 152600 23.5489 47.8133 87.6558 47.8131 -30.2327 183.666 87.6556 183.666 17.1571 GPRESSURE: 152600 21.5749 89.1468 178.223 -34.6357 15.7598 125.139 -3.91727 155.719 72.6859 PRESSAVG: 152600 -11.6196 -16.8017 23.3373 -16.8017 -48.3818 -49.4194 23.3373 -49.4194 32.6995 GPRESSAVG: 152600 -11.5144 -15.2254 24.0039 -17.2319 -47.6145 -48.9238 22.9584 -49.5154 31.6472 TIMING: 152600 CPU: 455.433, 0.00300604/step Wall: 455.433, 0.00300604/step, 4.04763 hours remaining, 206.238281 MB of memory in use. ENERGY: 152600 735.2452 2020.1513 1952.4094 103.2029 -206356.3048 17837.2551 0.0000 0.0000 34251.8792 -149456.1617 299.1302 -183708.0409 -149352.4500 298.7353 3.4911 36.6735 556066.4401 -9.1006 -9.1606 PRESSURE: 152800 131.878 -129.981 -117.329 -129.981 27.3305 9.68216 -117.328 9.68246 214.251 GPRESSURE: 152800 159.144 -194.445 -115.641 -8.65095 -2.95378 49.8226 -96.5248 65.2972 297.738 PRESSAVG: 152800 7.35562 -56.1407 56.6174 -56.1408 -34.6731 -39.3788 56.6173 -39.3789 10.1735 GPRESSAVG: 152800 6.22983 -57.1038 54.3257 -56.5566 -34.4965 -39.3866 59.5314 -38.6364 11.4902 TIMING: 152800 CPU: 456.033, 0.00299714/step Wall: 456.033, 0.00299714/step, 4.03548 hours remaining, 206.238281 MB of memory in use. ENERGY: 152800 779.1097 2106.9553 1972.2066 115.5582 -206673.2479 18034.5484 0.0000 0.0000 34088.1023 -149576.7674 297.6999 -183664.8697 -149484.9753 298.8572 124.4865 151.3094 556281.3534 -5.7147 -5.5922 PRESSURE: 153000 104.05 -3.11486 43.7632 -3.11554 -116.967 -50.7101 43.763 -50.7129 106.418 GPRESSURE: 153000 179.655 -24.4 81.4652 47.7681 -125.155 -95.7577 -1.68735 101.703 123.477 PRESSAVG: 153000 -1.84063 39.9029 30.1209 39.9029 -40.5593 5.40022 30.1209 5.40013 57.6539 GPRESSAVG: 153000 0.548001 38.7387 30.276 41.4685 -42.697 3.63543 29.4648 5.64686 57.401 TIMING: 153000 CPU: 456.635, 0.00301147/step Wall: 456.635, 0.00301147/step, 4.05462 hours remaining, 206.238281 MB of memory in use. ENERGY: 153000 716.2502 2091.2334 1939.5513 124.4892 -206578.5594 17874.5885 0.0000 0.0000 34129.5809 -149702.8658 298.0621 -183832.4467 -149607.8883 298.5152 31.1670 59.3259 555796.0242 5.0847 5.0840 PRESSURE: 153200 -229.738 76.8202 3.98308 76.8193 59.5273 126.336 3.98269 126.335 -70.1605 GPRESSURE: 153200 -225.814 140.103 3.04487 52.2178 161.123 139.819 39.0098 78.7906 -69.9283 PRESSAVG: 153200 8.67869 5.25434 -5.97528 5.25437 33.6173 19.9772 -5.97534 19.9771 8.3618 GPRESSAVG: 153200 7.26523 5.5978 -4.97521 7.30732 36.2398 20.6703 -7.23215 18.6617 7.15091 TIMING: 153200 CPU: 457.235, 0.00300167/step Wall: 457.235, 0.00300167/step, 4.04125 hours remaining, 206.238281 MB of memory in use. ENERGY: 153200 730.8392 2086.3302 1935.1644 117.9980 -206659.3106 17848.4865 0.0000 0.0000 34333.5976 -149606.8947 299.8438 -183940.4923 -149517.4722 299.0932 -80.1236 -44.8730 556513.8371 16.8859 16.8853 PRESSURE: 153400 407.517 60.9958 31.0308 60.9963 113.908 -69.421 31.0311 -69.4196 418.871 GPRESSURE: 153400 444.038 130.533 11.0038 -26.8683 172.497 -51.0615 -91.2876 -48.4767 422.736 PRESSAVG: 153400 -33.163 -41.0463 56.6618 -41.0463 21.5913 24.266 56.6619 24.266 -11.8338 GPRESSAVG: 153400 -33.733 -38.3537 54.6577 -45.4825 23.4534 23.0452 56.694 25.8533 -12.8862 TIMING: 153400 CPU: 457.833, 0.00299063/step Wall: 457.833, 0.00299063/step, 4.02622 hours remaining, 206.238281 MB of memory in use. ENERGY: 153400 707.7321 2088.1896 1967.4744 108.9875 -206817.6709 18110.2976 0.0000 0.0000 34159.3405 -149675.6493 298.3220 -183834.9898 -149579.1563 298.4991 313.4318 346.4239 555492.3794 -7.8018 -7.7219 PRESSURE: 153600 -10.2801 188.643 -25.4087 188.643 -107.641 -13.1809 -25.409 -13.1812 -142.784 GPRESSURE: 153600 15.9846 189.701 -21.5028 168.941 -54.9805 73.1239 -9.28981 -42.6431 -129.52 PRESSAVG: 153600 49.967 4.85388 -4.29251 4.85382 -29.4154 26.7286 -4.29261 26.7284 11.9885 GPRESSAVG: 153600 51.0204 1.36231 -2.80499 7.35389 -32.7609 26.7771 -3.00021 26.5125 14.158 TIMING: 153600 CPU: 458.432, 0.00299404/step Wall: 458.432, 0.00299404/step, 4.03064 hours remaining, 206.238281 MB of memory in use. ENERGY: 153600 706.4819 2109.9672 1926.3617 111.7727 -206192.1518 17625.5137 0.0000 0.0000 34290.5039 -149421.5507 299.4675 -183712.0546 -149325.2661 298.4719 -86.9016 -56.1720 557089.9443 10.8467 10.8058 PRESSURE: 153800 140.924 -195.898 -86.2328 -195.899 207.734 23.7691 -86.2329 23.7679 123.531 GPRESSURE: 153800 198.621 -162.888 -26.7726 -272.824 222.536 64.4084 -173.737 -12.6353 145.023 PRESSAVG: 153800 3.10017 -18.6844 -58.6727 -18.6844 -1.46971 21.9225 -58.6728 21.9226 -4.54259 GPRESSAVG: 153800 2.59248 -16.7184 -58.5206 -19.0668 -1.00552 22.7618 -61.1047 19.1806 -4.59075 TIMING: 153800 CPU: 459.031, 0.00299255/step Wall: 459.031, 0.00299255/step, 4.02847 hours remaining, 206.238281 MB of memory in use. ENERGY: 153800 712.1072 2113.4712 1937.5542 113.3345 -206633.0503 17983.1597 0.0000 0.0000 34367.5984 -149405.8251 300.1408 -183773.4235 -149312.7486 298.4736 157.3963 188.7266 555811.5420 -0.9707 -1.0013 PRESSURE: 154000 -316.138 -125.015 -144.63 -125.015 -142.641 -89.245 -144.63 -89.2453 -244.585 GPRESSURE: 154000 -240.391 -75.2042 -229.223 -159.314 -95.9348 -47.9287 -55.5293 -81.36 -263.263 PRESSAVG: 154000 48.3042 -40.5203 34.3521 -40.5203 39.3938 -4.708 34.3522 -4.708 -78.2346 GPRESSAVG: 154000 48.943 -41.1801 33.6358 -40.6482 39.3863 -4.63483 34.8415 -3.52199 -79.6461 TIMING: 154000 CPU: 459.626, 0.00297463/step Wall: 459.626, 0.00297463/step, 4.00419 hours remaining, 206.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 154000 719.0975 2081.9051 1939.1819 117.6327 -206337.9350 17606.7619 0.0000 0.0000 34359.7548 -149513.6011 300.0723 -183873.3559 -149412.9642 298.8837 -234.4544 -199.8629 557259.1036 3.1545 2.8944 PRESSURE: 154200 -40.1022 79.0386 -186.852 79.0386 128.414 86.1862 -186.853 86.1875 -185.68 GPRESSURE: 154200 -39.0763 41.9065 -87.3378 179.1 135.345 92.2932 -215.744 169.019 -87.5607 PRESSAVG: 154200 28.4413 -26.271 -22.8056 -26.271 -32.0334 17.4142 -22.8055 17.4143 15.7174 GPRESSAVG: 154200 27.552 -26.4316 -24.644 -26.4361 -31.5496 15.8801 -21.4822 19.2198 16.4522 TIMING: 154200 CPU: 460.221, 0.00297898/step Wall: 460.221, 0.00297898/step, 4.00988 hours remaining, 206.281250 MB of memory in use. ENERGY: 154200 722.2687 2031.5641 1940.6480 107.4571 -206335.4883 17834.2517 0.0000 0.0000 34160.5939 -149538.7048 298.3330 -183699.2987 -149438.6529 298.2894 -32.4562 2.9026 556930.4334 4.0418 4.1515 PRESSURE: 154400 53.9295 -52.6667 -53.5099 -52.6658 -186.107 59.5079 -53.5095 59.5081 -51.8781 GPRESSURE: 154400 49.0085 -108.723 -39.2878 -12.8661 -129.532 45.1004 -73.2245 88.412 -6.5259 PRESSAVG: 154400 35.2908 16.1175 -14.5584 16.1175 -40.287 35.7682 -14.5584 35.7682 0.198665 GPRESSAVG: 154400 34.9675 14.3936 -13.7584 16.5125 -40.0618 37.1276 -15.7652 34.6781 0.331816 TIMING: 154400 CPU: 460.815, 0.00296857/step Wall: 460.815, 0.00296857/step, 3.9957 hours remaining, 206.292969 MB of memory in use. ENERGY: 154400 755.2949 2049.6259 1949.7587 117.8670 -206131.9076 17832.1829 0.0000 0.0000 33871.2017 -149555.9764 295.8056 -183427.1781 -149458.0834 298.2639 -61.3517 -29.0165 558009.3642 -1.5992 -1.5875 PRESSURE: 154600 79.1915 3.00225 132.963 3.00201 61.8266 -66.9295 132.963 -66.9294 -201.028 GPRESSURE: 154600 104.437 15.7168 219.386 9.78891 46.5023 -6.79011 48.0169 -35.1805 -133.463 PRESSAVG: 154600 19.5605 -21.8553 -37.3317 -21.8552 -1.32631 -43.6979 -37.3317 -43.698 -16.9009 GPRESSAVG: 154600 19.0518 -20.4443 -37.8443 -21.8528 -1.5707 -42.784 -35.2725 -42.9812 -16.6872 TIMING: 154600 CPU: 461.416, 0.00300454/step Wall: 461.416, 0.00300454/step, 4.04395 hours remaining, 206.292969 MB of memory in use. ENERGY: 154600 711.1672 2068.0774 1923.9968 112.3660 -206433.3998 17905.2691 0.0000 0.0000 34094.8237 -149617.6997 297.7586 -183712.5234 -149524.5536 297.5656 -20.0032 5.8255 559107.3029 0.4444 0.2647 PRESSURE: 154800 -58.4493 107.836 123.397 107.836 344.098 -10.944 123.395 -10.9429 -155.077 GPRESSURE: 154800 54.8488 22.2139 127.504 164.934 302.053 4.71474 116.115 -99.999 -139.459 PRESSAVG: 154800 41.1678 7.14548 14.086 7.14549 9.83908 22.84 14.0859 22.84 -18.7713 GPRESSAVG: 154800 41.5447 8.40051 13.7119 6.56888 9.19969 19.016 11.7763 23.9796 -18.4291 TIMING: 154800 CPU: 462.015, 0.00299745/step Wall: 462.015, 0.00299745/step, 4.03423 hours remaining, 206.292969 MB of memory in use. ENERGY: 154800 694.8094 2034.5047 1915.4933 111.3818 -206472.1128 17947.8556 0.0000 0.0000 34160.9458 -149607.1222 298.3360 -183768.0680 -149508.8431 298.1797 43.5237 72.4811 558058.2783 10.7452 10.7717 PRESSURE: 155000 130.82 -1.03171 9.53107 -1.03092 -81.1065 -37.2277 9.53251 -37.2283 30.9034 GPRESSURE: 155000 131.543 -57.2998 -38.6548 22.0316 -20.725 -34.8758 56.3307 -32.714 73.2733 PRESSAVG: 155000 -41.5804 -1.79626 -8.4012 -1.79625 96.3967 -12.1695 -8.40117 -12.1694 -0.168935 GPRESSAVG: 155000 -40.5378 -1.72534 -5.40932 -1.52548 97.1786 -9.02558 -9.64849 -13.2913 -2.34244 TIMING: 155000 CPU: 462.614, 0.0029922/step Wall: 462.614, 0.0029922/step, 4.027 hours remaining, 206.292969 MB of memory in use. ENERGY: 155000 746.0103 2102.5038 1945.7402 101.4873 -206371.3659 17858.9011 0.0000 0.0000 34142.7590 -149473.9643 298.1772 -183616.7232 -149380.7161 298.4765 26.8723 61.3639 557178.6397 18.2158 18.0995 PRESSURE: 155200 -170.416 58.0807 192.965 58.0801 -47.2607 31.8146 192.965 31.814 -134.221 GPRESSURE: 155200 -125.465 50.4303 271.013 103.035 5.4669 -6.44425 192.121 9.58255 -125.151 PRESSAVG: 155200 37.7561 -8.00211 -1.60582 -8.002 28.4354 -30.816 -1.6059 -30.816 -27.9624 GPRESSAVG: 155200 35.9258 -10.4909 -3.38377 -8.60614 27.761 -32.1084 -0.0232042 -30.8338 -25.6349 TIMING: 155200 CPU: 463.208, 0.0029708/step Wall: 463.208, 0.0029708/step, 3.99804 hours remaining, 206.292969 MB of memory in use. ENERGY: 155200 732.1264 2098.5372 1944.8001 109.5125 -206396.6556 17691.7032 0.0000 0.0000 34105.8235 -149714.1528 297.8546 -183819.9763 -149625.3303 298.0944 -117.2993 -81.7163 557740.9473 12.7431 12.6840 PRESSURE: 155400 77.676 -43.4461 -34.4484 -43.4465 142.918 57.4727 -34.4487 57.4719 100.249 GPRESSURE: 155400 124.911 -77.8033 -21.4668 -93.5504 179.549 -15.6325 43.9762 109.177 117.977 PRESSAVG: 155400 -51.15 2.19907 -10.1208 2.19909 28.0412 -26.4624 -10.1208 -26.4625 19.9696 GPRESSAVG: 155400 -50.9969 1.32851 -10.228 3.86941 29.1851 -23.4553 -9.32152 -28.6634 18.4984 TIMING: 155400 CPU: 463.806, 0.00298914/step Wall: 463.806, 0.00298914/step, 4.02256 hours remaining, 206.292969 MB of memory in use. ENERGY: 155400 747.0608 2117.1720 1936.5038 93.4394 -206808.1958 18192.1751 0.0000 0.0000 34046.4648 -149675.3798 297.3362 -183721.8447 -149574.8214 297.7420 106.9477 140.8121 557232.3152 -1.0464 -1.1045 PRESSURE: 155600 26.4655 -38.7764 8.09077 -38.7761 239.401 122.232 8.09129 122.232 -128.282 GPRESSURE: 155600 93.3259 -68.3489 -56.8787 -46.9883 256.084 66.6325 114.926 58.6195 -101.498 PRESSAVG: 155600 50.9465 -27.6102 37.7093 -27.6103 5.90103 -47.6532 37.7093 -47.6532 -8.05026 GPRESSAVG: 155600 52.352 -26.6547 38.2487 -30.2412 3.33445 -49.3649 35.8889 -46.0399 -7.06755 TIMING: 155600 CPU: 464.405, 0.00299301/step Wall: 464.405, 0.00299301/step, 4.0276 hours remaining, 206.292969 MB of memory in use. ENERGY: 155600 769.7160 2080.2355 1956.7573 105.7601 -206553.0931 17960.2496 0.0000 0.0000 34089.7702 -149590.6045 297.7144 -183680.3747 -149508.0450 298.6586 45.8614 82.6374 557728.6510 16.2658 16.2063 PRESSURE: 155800 356.809 36.4076 -36.0957 36.407 -72.1226 -82.1952 -36.0965 -82.1954 -7.43652 GPRESSURE: 155800 363.761 -46.5554 -138.328 104.102 -16.6009 -109.243 65.1001 -124.714 30.6365 PRESSAVG: 155800 53.9523 -38.4986 36.4155 -38.4986 19.7566 -10.4753 36.4156 -10.4753 -35.6562 GPRESSAVG: 155800 53.1738 -36.102 37.3994 -38.3786 21.0398 -11.1057 37.9875 -10.2717 -35.9751 TIMING: 155800 CPU: 465.001, 0.0029836/step Wall: 465.001, 0.0029836/step, 4.01477 hours remaining, 206.292969 MB of memory in use. ENERGY: 155800 751.3108 2077.3813 1929.7738 121.7942 -206547.3478 18050.0876 0.0000 0.0000 34056.5442 -149560.4560 297.4243 -183617.0001 -149468.5108 298.4652 92.4168 125.9323 557343.0949 12.6842 12.7462 PRESSURE: 156000 167.877 -169.322 -0.847142 -169.321 -29.5534 50.3552 -0.847656 50.3565 -121.787 GPRESSURE: 156000 150.264 -134.117 28.2927 -142.238 13.7319 8.73303 19.5577 128.632 -46.1244 PRESSAVG: 156000 13.3179 -75.5701 -21.2797 -75.57 -61.1571 0.366246 -21.2797 0.366204 -12.6292 GPRESSAVG: 156000 13.746 -75.8822 -22.0508 -76.0679 -60.091 -1.01806 -21.9158 1.18379 -14.4045 TIMING: 156000 CPU: 465.598, 0.00298333/step Wall: 465.598, 0.00298333/step, 4.01424 hours remaining, 206.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 156000 747.9998 2079.4445 1930.7442 109.2680 -206559.0138 17957.9704 0.0000 0.0000 34064.0851 -149669.5018 297.4901 -183733.5869 -149581.5755 297.4672 5.5122 39.2905 556294.9512 -20.1561 -20.2498 PRESSURE: 156200 16.0635 -3.01422 -28.9587 -3.01403 169.646 73.9671 -28.9587 73.9671 -216.68 GPRESSURE: 156200 47.8069 56.8203 -3.2361 -108.19 184.89 74.1751 41.9444 117.293 -157.978 PRESSAVG: 156200 108.299 -27.0764 17.4623 -27.0764 21.5602 12.8867 17.4623 12.8869 -66.6635 GPRESSAVG: 156200 107.278 -30.4739 16.5114 -26.003 20.9306 14.7792 17.8239 11.2752 -65.605 TIMING: 156200 CPU: 466.195, 0.0029838/step Wall: 466.195, 0.0029838/step, 4.0147 hours remaining, 206.292969 MB of memory in use. ENERGY: 156200 721.1700 2099.7342 1947.9998 103.4524 -206371.0124 17867.2875 0.0000 0.0000 34016.6325 -149614.7360 297.0757 -183631.3685 -149514.1814 297.2512 -10.3237 24.9064 556864.2163 21.0653 20.8678 LDB: ============= START OF LOAD BALANCING ============== 469.742 LDB: ============== END OF LOAD BALANCING =============== 469.742 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 469.743 LDB: ============= START OF LOAD BALANCING ============== 470.043 LDB: Largest compute 4773 load 0.029149 is 24.7% of average load 0.118019 LDB: Average compute 0.001738 is 1.5% of average load 0.118019 LDB: TIME 470.046 LOAD: AVG 0.118019 MAX 0.209432 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.113 MB LDB: TIME 470.046 LOAD: AVG 0.118019 MAX 0.209432 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.176 MB LDB: TIME 470.047 LOAD: AVG 0.118019 MAX 0.209432 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.176 MB LDB: ============== END OF LOAD BALANCING =============== 470.048 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 470.052 PRESSURE: 156400 -81.3295 -31.4515 -132.147 -31.4509 4.60114 -31.391 -132.148 -31.391 -71.1505 GPRESSURE: 156400 -31.284 -79.7088 -74.6013 -34.8152 36.0132 29.333 -96.4627 -32.4809 -54.4326 PRESSAVG: 156400 -6.38424 6.24949 33.2016 6.24955 23.9475 -46.3007 33.2016 -46.3006 -37.6756 GPRESSAVG: 156400 -5.98159 6.64105 36.5335 7.41192 23.8411 -47.8379 30.9534 -45.3146 -37.7479 TIMING: 156400 CPU: 466.803, 0.00303958/step Wall: 466.803, 0.00303958/step, 4.08958 hours remaining, 206.167969 MB of memory in use. ENERGY: 156400 745.0944 2089.0581 1939.1760 115.2719 -206227.9589 17694.0931 0.0000 0.0000 33956.2898 -149688.9755 296.5487 -183645.2653 -149588.8171 297.9305 -49.2930 -16.5678 556905.4064 -6.7041 -6.6295 PRESSURE: 156600 244.739 -142.127 -13.0823 -142.128 29.6688 51.6515 -13.0816 51.6509 49.0291 GPRESSURE: 156600 232.489 -62.0569 -59.6045 -161.609 66.0116 100.486 -58.5691 87.7308 131.907 PRESSAVG: 156600 -46.3231 -9.34638 -20.1209 -9.34638 61.146 -4.91501 -20.121 -4.91493 -24.2217 GPRESSAVG: 156600 -46.9655 -7.15975 -23.2136 -11.8553 60.478 -3.30366 -18.6636 -5.7285 -23.1243 TIMING: 156600 CPU: 467.406, 0.00301495/step Wall: 467.406, 0.00301495/step, 4.05628 hours remaining, 206.238281 MB of memory in use. ENERGY: 156600 755.9957 2129.5178 1947.0032 120.9160 -207049.6782 18180.6885 0.0000 0.0000 34487.6936 -149427.8633 301.1896 -183915.5569 -149326.0509 298.1458 107.8124 143.4693 557737.5945 -3.1329 -3.2039 PRESSURE: 156800 -113.386 76.7176 -124.605 76.7177 64.4778 82.7119 -124.606 82.712 84.0927 GPRESSURE: 156800 -123.276 96.089 -68.7197 134.007 117.817 3.74918 -104.459 75.92 128.046 PRESSAVG: 156800 62.773 19.2097 -35.6174 19.2097 -46.5828 62.728 -35.6173 62.7278 -21.6113 GPRESSAVG: 156800 63.1259 20.3882 -34.6503 19.7293 -46.2179 63.7055 -35.9715 61.7502 -21.8518 TIMING: 156800 CPU: 468.009, 0.00301874/step Wall: 468.009, 0.00301874/step, 4.06122 hours remaining, 206.238281 MB of memory in use. ENERGY: 156800 732.6157 2054.6765 1938.8545 115.1908 -206397.4192 17878.0157 0.0000 0.0000 34408.4647 -149269.6014 300.4977 -183678.0661 -149184.5064 298.8417 11.7282 40.8624 557657.0175 -1.8070 -1.6479 PRESSURE: 157000 96.9962 157.538 -44.2993 157.537 136.552 105.19 -44.299 105.19 433.798 GPRESSURE: 157000 130.437 281.136 -38.4401 163.319 211.186 110.909 17.7301 31.2619 428.452 PRESSAVG: 157000 -4.52254 13.0823 -48.6416 13.0824 -13.3523 14.1611 -48.6417 14.1611 23.184 GPRESSAVG: 157000 -4.20776 12.7734 -49.436 12.9246 -12.8626 12.9152 -47.247 16.0157 22.3273 TIMING: 157000 CPU: 468.608, 0.00299522/step Wall: 468.608, 0.00299522/step, 4.0294 hours remaining, 206.238281 MB of memory in use. ENERGY: 157000 720.8847 2099.8668 1949.1166 117.1703 -206480.2355 18145.6572 0.0000 0.0000 34255.1715 -149192.3684 299.1589 -183447.5399 -149090.1067 299.1674 222.4488 256.6917 556914.7058 1.7697 1.7523 PRESSURE: 157200 321.878 -73.0361 -30.1132 -73.0351 50.3356 -85.8813 -30.1129 -85.8823 145.357 GPRESSURE: 157200 364.495 -39.0984 -18.7734 -111.97 81.719 -48.4014 42.4726 -102.114 174.929 PRESSAVG: 157200 17.6329 1.95553 -16.4664 1.95552 5.42386 0.0135029 -16.4663 0.0135742 -23.2126 GPRESSAVG: 157200 16.6869 0.926991 -17.1422 3.03534 5.00022 0.270108 -17.4331 -1.8929 -21.762 TIMING: 157200 CPU: 469.205, 0.00298531/step Wall: 469.205, 0.00298531/step, 4.01591 hours remaining, 206.238281 MB of memory in use. ENERGY: 157200 791.6774 2101.2649 1925.6838 113.3150 -206562.4540 18231.5229 0.0000 0.0000 34102.5759 -149296.4141 297.8263 -183398.9900 -149207.4921 298.6925 172.5232 207.0476 558407.7587 -0.0520 -0.0250 PRESSURE: 157400 101.244 -3.5978 -52.0869 -3.59832 -198.745 -128.581 -52.0863 -128.584 159.852 GPRESSURE: 157400 111.483 -68.974 -134.856 111.23 -103.299 -84.6192 -5.70328 -109.603 147.957 PRESSAVG: 157400 56.7771 -43.7897 -13.2282 -43.7898 -64.8042 -74.5158 -13.2282 -74.5159 49.1665 GPRESSAVG: 157400 56.6263 -42.7377 -12.783 -45.5761 -64.8307 -74.5242 -13.1217 -73.7335 49.0915 TIMING: 157400 CPU: 469.799, 0.00296811/step Wall: 469.799, 0.00296811/step, 3.99261 hours remaining, 206.238281 MB of memory in use. ENERGY: 157400 746.6957 2079.8636 1936.8258 125.5903 -206249.0394 17983.8707 0.0000 0.0000 34020.5472 -149355.6462 297.1099 -183376.1933 -149262.5311 299.0761 20.7838 52.0469 557579.8684 13.7131 13.6290 PRESSURE: 157600 211.24 41.4606 -31.9254 41.4602 -88.5298 -78.94 -31.9265 -78.9394 84.662 GPRESSURE: 157600 257.389 8.87317 -72.7641 -55.0074 -69.529 -100.233 26.084 -61.06 118.391 PRESSAVG: 157600 48.8535 -19.7451 -3.94789 -19.7452 -77.8135 -20.6165 -3.94789 -20.6165 2.11269 GPRESSAVG: 157600 50.7182 -21.7603 -1.84093 -17.8392 -77.9591 -19.874 -5.97281 -19.5525 -0.0684495 TIMING: 157600 CPU: 470.402, 0.00301635/step Wall: 470.402, 0.00301634/step, 4.05732 hours remaining, 206.238281 MB of memory in use. ENERGY: 157600 693.9248 2064.1390 1953.2287 100.7388 -206456.5228 18090.1376 0.0000 0.0000 34041.8730 -149512.4810 297.2961 -183554.3539 -149411.1038 298.4780 69.1240 102.0838 557763.6631 -8.9491 -9.1031 PRESSURE: 157800 94.0088 28.2043 -34.0796 28.2043 -177.34 172.131 -34.0786 172.13 -194.246 GPRESSURE: 157800 54.4652 19.8044 32.8307 23.1154 -142.292 151.485 27.5006 156.499 -113.816 PRESSAVG: 157800 46.524 -50.0117 -2.59585 -50.0119 -12.8286 -8.17222 -2.59578 -8.1721 3.96404 GPRESSAVG: 157800 46.0029 -47.9267 -5.32069 -50.6257 -13.2798 -8.55186 0.681543 -9.85514 5.08073 TIMING: 157800 CPU: 471, 0.00298655/step Wall: 471, 0.00298655/step, 4.01707 hours remaining, 206.238281 MB of memory in use. ENERGY: 157800 759.8688 2114.4353 1932.8276 103.5779 -206257.0998 17688.8103 0.0000 0.0000 34116.5260 -149541.0540 297.9481 -183657.5800 -149443.9935 298.5338 -92.5259 -67.2142 557351.2753 12.5532 12.6013 PRESSURE: 158000 -470.957 -130.618 -23.1572 -130.619 -77.3091 105.439 -23.1581 105.439 59.6866 GPRESSURE: 158000 -429.415 -75.203 18.1742 -197.784 -7.11031 163.649 -56.4653 124.922 56.4865 PRESSAVG: 158000 -31.9114 20.5687 -6.28203 20.5688 52.596 -8.81633 -6.28201 -8.8163 16.1997 GPRESSAVG: 158000 -34.4547 18.1487 -5.73073 22.4391 54.0363 -9.95801 -7.51606 -6.94901 17.6537 TIMING: 158000 CPU: 471.596, 0.00297996/step Wall: 471.596, 0.00297996/step, 4.00804 hours remaining, 206.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 158000 766.0019 2036.4780 1950.2003 104.8123 -206073.4242 17560.2164 0.0000 0.0000 34265.8918 -149389.8235 299.2526 -183655.7154 -149296.2001 298.6009 -162.8597 -126.6797 557407.6444 12.2948 12.4117 PRESSURE: 158200 112.719 22.0896 131.977 22.0901 80.1414 -151.709 131.978 -151.708 -131.96 GPRESSURE: 158200 148.347 28.7523 122.834 55.9116 124.227 -185.532 118.746 -71.6409 -104.034 PRESSAVG: 158200 12.8328 -57.5188 4.56414 -57.5188 23.4568 46.8053 4.56411 46.8053 -21.7266 GPRESSAVG: 158200 14.208 -56.5506 1.85134 -57.2451 23.2874 46.8514 6.17596 45.5341 -22.4795 TIMING: 158200 CPU: 472.19, 0.00296971/step Wall: 472.19, 0.00296971/step, 3.9941 hours remaining, 206.238281 MB of memory in use. ENERGY: 158200 707.2382 2047.9287 1925.9353 107.0070 -206175.5862 17783.1126 0.0000 0.0000 34159.9531 -149444.4113 298.3274 -183604.3644 -149349.5100 298.7625 20.3000 56.1799 557167.2380 4.8543 5.0053 PRESSURE: 158400 -129.863 218.953 -62.5647 218.953 3.79363 82.036 -62.5649 82.036 -2.47395 GPRESSURE: 158400 -89.2238 185.139 -60.1852 156.34 -5.06687 130.691 -129.78 158.852 56.2333 PRESSAVG: 158400 36.9291 -25.3685 9.25986 -25.3686 0.57367 -31.5196 9.25989 -31.5196 -24.2571 GPRESSAVG: 158400 37.0554 -23.9314 11.9762 -27.3074 -0.358615 -31.2734 8.47589 -29.3463 -23.3548 TIMING: 158400 CPU: 472.786, 0.00298015/step Wall: 472.786, 0.00298015/step, 4.00797 hours remaining, 206.238281 MB of memory in use. ENERGY: 158400 757.6434 2002.2624 1917.8631 102.1225 -206487.6477 17947.9841 0.0000 0.0000 34271.8966 -149487.8756 299.3050 -183759.7722 -149395.5393 299.5914 -42.8477 -12.6858 558038.5875 4.4152 4.4473 PRESSURE: 158600 -154.981 106.854 -106.119 106.853 52.7467 -116.496 -106.119 -116.498 -205.989 GPRESSURE: 158600 -92.4747 95.6146 -104.461 104.5 34.1242 -86.4374 -121.367 -121.123 -159.128 PRESSAVG: 158600 74.1483 8.78837 30.9984 8.78834 -46.9961 15.3992 30.9984 15.3992 -35.1957 GPRESSAVG: 158600 74.7314 7.85285 31.3779 8.41392 -47.6249 12.1281 30.9002 14.442 -34.5996 TIMING: 158600 CPU: 473.378, 0.00296049/step Wall: 473.378, 0.00296049/step, 3.98137 hours remaining, 206.238281 MB of memory in use. ENERGY: 158600 788.5003 2077.1553 1963.0839 122.4046 -206380.5600 17755.5503 0.0000 0.0000 34224.9426 -149448.9230 298.8949 -183673.8656 -149345.2582 298.9333 -102.7413 -72.4929 557767.0494 -2.6812 -2.4977 PRESSURE: 158800 -17.1814 -48.5841 51.3732 -48.5844 -56.5699 56.3465 51.3735 56.3463 -11.5266 GPRESSURE: 158800 51.1758 -57.7068 21.4274 -77.9114 -55.9099 3.16676 52.5825 27.0904 -0.24682 PRESSAVG: 158800 40.2913 46.3286 30.1361 46.3286 -52.2589 -56.9064 30.1361 -56.9064 26.1904 GPRESSAVG: 158800 39.8372 46.6047 28.4048 45.8314 -51.9482 -54.7105 30.2108 -58.1202 26.5117 TIMING: 158800 CPU: 473.98, 0.00301141/step Wall: 473.98, 0.00301141/step, 4.04968 hours remaining, 206.238281 MB of memory in use. ENERGY: 158800 771.9223 2041.2966 1931.5857 117.8715 -206269.8408 17865.5310 0.0000 0.0000 34172.4358 -149369.1978 298.4364 -183541.6336 -149279.3274 298.9758 -28.4260 -1.6603 558165.4995 4.7409 4.8003 PRESSURE: 159000 -195.716 -33.9088 -36.6525 -33.9092 -224.873 7.75264 -36.6519 7.75362 22.7835 GPRESSURE: 159000 -128.747 -28.5491 -56.7479 -44.2502 -181.351 -9.53043 68.9514 41.3269 8.12575 PRESSAVG: 159000 3.07363 -22.1459 -38.8221 -22.146 -29.1767 -14.2449 -38.8221 -14.2449 62.0499 GPRESSAVG: 159000 3.60078 -22.972 -40.5414 -19.6211 -29.1733 -13.8176 -37.5616 -13.194 61.0476 TIMING: 159000 CPU: 474.581, 0.00300525/step Wall: 474.581, 0.00300525/step, 4.04122 hours remaining, 206.238281 MB of memory in use. ENERGY: 159000 766.5988 2063.5408 1929.1876 122.4165 -205850.7815 17603.8356 0.0000 0.0000 34058.6774 -149306.5247 297.4429 -183365.2021 -149211.2846 298.6361 -132.6018 -100.6573 559252.7637 11.9823 11.8250 PRESSURE: 159200 96.3098 19.6639 -40.5291 19.6644 -45.5265 31.9596 -40.5291 31.9619 139.541 GPRESSURE: 159200 87.1242 -46.2084 2.59618 84.1603 27.2894 68.5313 -19.4476 -45.6997 153.076 PRESSAVG: 159200 -24.057 15.1452 4.42653 15.1452 -63.1988 -3.57509 4.42658 -3.57504 76.598 GPRESSAVG: 159200 -24.7356 15.1909 7.32428 13.6512 -63.3364 -4.59119 2.68864 -3.4165 77.5677 TIMING: 159200 CPU: 475.184, 0.00301295/step Wall: 475.184, 0.00301295/step, 4.05142 hours remaining, 206.238281 MB of memory in use. ENERGY: 159200 736.5961 2099.1982 1955.9300 105.0757 -206383.0611 17797.8774 0.0000 0.0000 34304.6437 -149383.7398 299.5910 -183688.3836 -149292.8334 298.1485 63.4413 89.1633 557777.2770 -3.5526 -3.5015 PRESSURE: 159400 -88.1948 6.12526 34.4452 6.12744 228.929 -16.2218 34.4454 -16.2212 -359.254 GPRESSURE: 159400 -58.657 20.5049 42.3836 -37.6225 271.755 0.90595 -15.6008 -106.974 -338.196 PRESSAVG: 159400 21.0769 14.1472 -33.9317 14.1472 15.156 1.10995 -33.9319 1.10994 -13.8186 GPRESSAVG: 159400 21.8819 15.1215 -34.1895 14.0768 15.1379 1.62613 -36.8009 -0.225469 -14.3971 TIMING: 159400 CPU: 475.787, 0.00301653/step Wall: 475.787, 0.00301653/step, 4.05606 hours remaining, 206.238281 MB of memory in use. ENERGY: 159400 679.4324 2121.4592 1979.6398 99.8893 -206081.6928 17746.7194 0.0000 0.0000 34209.3377 -149245.2150 298.7587 -183454.5527 -149149.8143 299.3934 -72.8396 -41.6994 556977.5258 7.4714 7.5409 PRESSURE: 159600 -273.456 31.131 -82.6464 31.1326 -279.143 36.7894 -82.6468 36.7893 -261.387 GPRESSURE: 159600 -293.397 37.7356 -86.6462 48.7446 -207.046 -2.77438 -88.5287 107.26 -212.315 PRESSAVG: 159600 -71.9741 56.0771 -42.007 56.0771 66.3021 -3.44522 -42.0069 -3.44512 -8.7855 GPRESSAVG: 159600 -74.1893 55.7482 -44.4687 56.6664 67.8839 -4.45842 -37.955 -1.34495 -8.35874 TIMING: 159600 CPU: 476.388, 0.00300739/step Wall: 476.388, 0.00300739/step, 4.0436 hours remaining, 206.238281 MB of memory in use. ENERGY: 159600 757.3562 2107.2222 1954.1088 124.0809 -205814.4602 17467.9386 0.0000 0.0000 34204.9648 -149198.7886 298.7205 -183403.7534 -149107.2591 299.3555 -271.3288 -237.5862 557123.4362 -4.8192 -4.8881 PRESSURE: 159800 -14.0242 -166.721 -31.3582 -166.721 -109.543 37.0536 -31.3575 37.0529 -147.699 GPRESSURE: 159800 -12.0477 -71.0132 16.4643 -255.002 -88.2047 -32.1464 38.2968 10.0962 -74.4746 PRESSAVG: 159800 -45.9884 -29.8608 13.8385 -29.8608 -23.1091 21.3204 13.8385 21.3206 65.4 GPRESSAVG: 159800 -47.0103 -30.0871 17.1953 -29.1333 -23.8547 22.0607 13.527 20.3259 67.2215 TIMING: 159800 CPU: 476.989, 0.00300489/step Wall: 476.989, 0.00300489/step, 4.04007 hours remaining, 206.238281 MB of memory in use. ENERGY: 159800 717.2422 2071.0957 1956.4490 106.3998 -205784.8563 17691.1892 0.0000 0.0000 34200.8748 -149041.6055 298.6847 -183242.4803 -148944.6417 299.5458 -90.4221 -58.2423 557324.8718 -1.2325 -1.2145 PRESSURE: 160000 115.394 -129.322 -80.45 -129.322 -96.5139 103.073 -80.4501 103.074 -293.021 GPRESSURE: 160000 90.586 -164.069 -61.4012 -113.663 -46.1019 187.189 -26.0561 -0.402285 -225.28 PRESSAVG: 160000 20.6328 -6.52347 -101.268 -6.52345 -38.3889 -11.396 -101.268 -11.3959 -5.18082 GPRESSAVG: 160000 22.3844 -5.32552 -102.405 -9.63692 -37.495 -10.408 -102.559 -11.3292 -8.41962 TIMING: 160000 CPU: 477.585, 0.00297721/step Wall: 477.585, 0.00297721/step, 4.00269 hours remaining, 206.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 160000 803.4569 2058.1470 1933.8763 102.9074 -205985.1009 17667.5628 0.0000 0.0000 34324.0461 -149095.1044 299.7604 -183419.1505 -148996.8521 299.4729 -91.3800 -60.2653 556979.5070 -7.6456 -7.8434 PRESSURE: 160200 -0.801865 39.39 -76.5894 39.3911 -38.5139 69.7042 -76.5889 69.7034 46.9372 GPRESSURE: 160200 20.4973 96.6869 -111.397 82.4983 29.5786 58.2815 -13.2951 38.7182 49.0972 PRESSAVG: 160200 0.0776832 24.1656 -101.292 24.1655 -47.052 5.13893 -101.292 5.13902 9.58608 GPRESSAVG: 160200 -0.175969 24.9202 -102.139 24.9026 -47.7883 4.93035 -100.75 3.99418 10.768 TIMING: 160200 CPU: 478.179, 0.00297103/step Wall: 478.179, 0.00297103/step, 3.99422 hours remaining, 206.238281 MB of memory in use. ENERGY: 160200 694.3856 2155.6840 1905.7643 109.2736 -205906.4004 17701.0936 0.0000 0.0000 34194.2747 -149145.9246 298.6271 -183340.1994 -149051.7899 299.7605 2.5405 33.0577 559027.9016 -12.4627 -12.3988 LDB: ============= START OF LOAD BALANCING ============== 481.725 LDB: ============== END OF LOAD BALANCING =============== 481.726 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 481.727 LDB: ============= START OF LOAD BALANCING ============== 482.024 LDB: Largest compute 4795 load 0.028325 is 24.0% of average load 0.118033 LDB: Average compute 0.001730 is 1.5% of average load 0.118033 LDB: TIME 482.026 LOAD: AVG 0.118033 MAX 0.206941 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.027 MB LDB: TIME 482.026 LOAD: AVG 0.118033 MAX 0.206941 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.027 MB LDB: TIME 482.026 LOAD: AVG 0.118033 MAX 0.206941 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.027 MB LDB: ============== END OF LOAD BALANCING =============== 482.028 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 482.032 PRESSURE: 160400 41.6697 -141.416 -67.3728 -141.417 -244.286 -23.8478 -67.3731 -23.8483 25.2605 GPRESSURE: 160400 49.1107 -229.717 -91.1133 -89.1168 -219.723 25.2827 -32.0239 15.7666 86.1762 PRESSAVG: 160400 -7.90802 19.907 -27.6713 19.9071 25.7415 23.833 -27.6713 23.833 -34.3803 GPRESSAVG: 160400 -7.30887 16.6779 -28.7586 21.115 25.3147 23.8157 -25.6019 24.6722 -34.8905 TIMING: 160400 CPU: 478.782, 0.00301664/step Wall: 478.782, 0.00301664/step, 4.05537 hours remaining, 204.781250 MB of memory in use. ENERGY: 160400 745.5404 2121.1437 1942.4347 106.1701 -206008.0935 17777.7269 0.0000 0.0000 34094.0201 -149221.0576 297.7516 -183315.0777 -149120.9982 298.9791 -59.1185 -28.1454 557957.7555 -5.5156 -5.6282 PRESSURE: 160600 -125.2 -50.4178 13.5207 -50.4193 -140.544 -8.38925 13.5198 -8.38948 -184.961 GPRESSURE: 160600 -137.286 -49.9111 20.7589 -16.1071 -71.8002 -34.7816 18.964 -3.24504 -123.085 PRESSAVG: 160600 -37.768 -22.4361 1.02603 -22.4361 24.6019 -34.3424 1.02595 -34.3423 -37.8571 GPRESSAVG: 160600 -37.7012 -21.9908 1.68965 -23.8797 25.3852 -33.31 -0.779238 -34.4929 -38.7651 TIMING: 160600 CPU: 479.376, 0.0029674/step Wall: 479.376, 0.0029674/step, 3.98901 hours remaining, 205.039062 MB of memory in use. ENERGY: 160600 746.2693 2102.3537 1937.7409 112.6104 -206076.8780 17623.8669 0.0000 0.0000 34209.5986 -149344.4384 298.7609 -183554.0369 -149249.9525 299.7062 -150.2352 -110.7238 557980.3667 -17.0078 -17.0270 PRESSURE: 160800 322.698 32.7834 196.557 32.7828 73.4819 103.019 196.556 103.016 198.013 GPRESSURE: 160800 308.047 23.037 269.377 59.8713 184.827 83.8202 178.786 128.969 200.278 PRESSAVG: 160800 -1.0636 -39.7905 18.0788 -39.7906 26.4863 7.97605 18.0788 7.97616 19.174 GPRESSAVG: 160800 -1.14903 -38.4457 20.0739 -38.8402 25.967 5.70562 17.6826 7.76673 20.4913 TIMING: 160800 CPU: 479.971, 0.00297441/step Wall: 479.971, 0.00297442/step, 3.99828 hours remaining, 205.039062 MB of memory in use. ENERGY: 160800 725.7879 2077.7343 1918.4652 115.3464 -206433.4285 18085.4102 0.0000 0.0000 34131.2634 -149379.4211 298.0768 -183510.6845 -149280.2904 299.0778 198.0641 231.0507 556870.0510 14.8656 15.1031 PRESSURE: 161000 -48.2612 -31.8699 82.0608 -31.8681 -56.4975 118.48 82.0614 118.478 161.254 GPRESSURE: 161000 -39.8087 6.35883 75.113 -55.0383 -10.025 95.5793 105.482 199.693 206.507 PRESSAVG: 161000 -52.506 -58.3789 -34.2046 -58.3788 20.1351 6.49251 -34.2046 6.49248 15.2988 GPRESSAVG: 161000 -52.6712 -58.3372 -33.9441 -58.0083 19.3644 7.58368 -33.3741 7.36653 16.2087 TIMING: 161000 CPU: 480.57, 0.00299524/step Wall: 480.57, 0.00299524/step, 4.02611 hours remaining, 205.039062 MB of memory in use. ENERGY: 161000 764.7743 2054.1061 1941.5710 98.7348 -205952.6644 17694.4611 0.0000 0.0000 34238.7248 -149160.2924 299.0153 -183399.0171 -149061.1673 299.3411 18.8316 52.2244 555360.6466 -5.6907 -5.6994 PRESSURE: 161200 -4.95425 -53.6254 109.45 -53.6255 -76.7868 -261.12 109.45 -261.12 31.3222 GPRESSURE: 161200 -5.93224 -45.2645 105.339 -44.6612 -9.39789 -202.948 107.503 -276.867 70.658 PRESSAVG: 161200 4.42833 -21.8293 18.7217 -21.8294 30.2063 -30.8233 18.7217 -30.8232 -39.8324 GPRESSAVG: 161200 4.18637 -23.2553 18.6448 -22.2062 30.8922 -32.3968 17.0084 -29.2869 -40.5199 TIMING: 161200 CPU: 481.162, 0.00296147/step Wall: 481.162, 0.00296147/step, 3.98055 hours remaining, 205.039062 MB of memory in use. ENERGY: 161200 783.5596 2054.7403 1933.4666 109.3124 -206005.8721 17798.2388 0.0000 0.0000 34068.1837 -149258.3707 297.5259 -183326.5544 -149160.9067 298.9032 -16.8063 18.4426 558190.4468 -1.7326 -1.8138 PRESSURE: 161400 11.1773 32.4297 130.186 32.4291 77.875 11.489 130.185 11.4889 -273.705 GPRESSURE: 161400 71.3803 36.4943 59.4459 27.2596 69.513 10.2238 99.6932 32.5999 -234.234 PRESSAVG: 161400 7.13733 -23.9036 16.7986 -23.9035 56.0287 -1.29937 16.7986 -1.29933 -47.2765 GPRESSAVG: 161400 7.3798 -21.7733 13.8235 -24.1535 55.325 1.65415 16.5194 -6.17183 -46.7084 TIMING: 161400 CPU: 481.753, 0.00295244/step Wall: 481.753, 0.00295244/step, 3.96825 hours remaining, 205.257812 MB of memory in use. ENERGY: 161400 768.8690 2061.1422 1929.2203 118.4827 -205857.9638 17657.6783 0.0000 0.0000 34210.8518 -149111.7195 298.7719 -183322.5713 -149018.6424 298.7782 -61.5511 -31.1136 557049.3450 5.2965 5.3322 PRESSURE: 161600 76.0751 45.1761 193.388 45.1767 -28.8111 52.7724 193.388 52.7715 69.579 GPRESSURE: 161600 85.9632 47.5472 264.035 13.7647 -0.1863 32.1402 170.392 11.3072 124.857 PRESSAVG: 161600 11.4938 9.40317 13.4167 9.40318 48.4977 4.7666 13.4167 4.76661 -42.2295 GPRESSAVG: 161600 11.7694 6.76422 17.8943 11.3275 48.2418 3.72864 14.2188 6.66526 -42.3804 TIMING: 161600 CPU: 482.345, 0.00296285/step Wall: 482.345, 0.00296284/step, 3.98206 hours remaining, 205.257812 MB of memory in use. ENERGY: 161600 740.5658 2093.0073 1947.8459 119.0958 -206459.0617 18027.3575 0.0000 0.0000 34269.3838 -149261.8057 299.2831 -183531.1894 -149158.9216 299.5176 38.9477 70.2113 558148.4601 5.9207 5.8769 PRESSURE: 161800 149.625 -134.77 147.962 -134.77 -141.807 -84.3379 147.962 -84.3386 -4.23262 GPRESSURE: 161800 176.676 -161.945 201.543 -86.9489 -49.766 -97.0726 77.207 -59.1226 -23.1555 PRESSAVG: 161800 -22.2456 -41.9629 -7.18439 -41.9628 48.4373 29.9732 -7.18443 29.9731 17.9334 GPRESSAVG: 161800 -22.8057 -40.5755 -10.3837 -42.3841 50.5297 31.3428 -6.23581 30.3942 17.0327 TIMING: 161800 CPU: 482.939, 0.0029712/step Wall: 482.939, 0.0029712/step, 3.99313 hours remaining, 205.257812 MB of memory in use. ENERGY: 161800 730.8888 2092.3759 1931.5065 109.5499 -206097.1725 17853.6809 0.0000 0.0000 34490.9031 -148888.2675 301.2176 -183379.1705 -148797.4781 299.6230 1.1952 34.5850 557269.2737 14.7084 14.9189 PRESSURE: 162000 -219.147 148.96 -35.531 148.96 -47.3952 123.565 -35.5319 123.565 -154.01 GPRESSURE: 162000 -227.476 146.779 -59.5782 182.24 -27.4259 125.376 -2.60185 37.3877 -56.8049 PRESSAVG: 162000 29.6813 -32.6812 -7.31173 -32.6812 35.1238 -16.289 -7.31174 -16.289 -31.2649 GPRESSAVG: 162000 30.8481 -33.6446 -7.01381 -34.0864 33.8903 -17.749 -8.71854 -16.3342 -31.1242 TIMING: 162000 CPU: 483.534, 0.00297563/step Wall: 483.534, 0.00297563/step, 3.99891 hours remaining, 205.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 162000 755.4354 2103.5578 1912.1340 104.3897 -206095.9099 17790.8289 0.0000 0.0000 34585.1150 -148844.4491 302.0404 -183429.5641 -148751.8425 300.5560 -140.1842 -103.9022 556847.0607 11.1801 11.2047 PRESSURE: 162200 43.0789 99.4712 27.4983 99.4712 -125.532 -108.688 27.4981 -108.687 119.829 GPRESSURE: 162200 124.908 31.9624 8.7249 111.893 -137.126 -82.5248 88.7249 -90.8343 153.312 PRESSAVG: 162200 -32.8952 31.7648 -85.38 31.7649 22.408 -8.33519 -85.38 -8.33521 36.7069 GPRESSAVG: 162200 -32.7787 32.1878 -85.3261 31.1949 22.6325 -7.89593 -84.3201 -9.62716 36.2094 TIMING: 162200 CPU: 484.128, 0.00296953/step Wall: 484.128, 0.00296953/step, 3.99055 hours remaining, 205.257812 MB of memory in use. ENERGY: 162200 722.8352 2099.3978 1919.1485 110.3893 -205843.1731 17637.0413 0.0000 0.0000 34471.5587 -148882.8023 301.0487 -183354.3610 -148782.4910 301.0243 12.4585 47.0314 557382.1838 8.7399 8.6878 PRESSURE: 162400 -50.6407 71.3894 15.8763 71.389 -158.356 90.2864 15.8747 90.285 199.392 GPRESSURE: 162400 21.4657 94.2631 4.96253 137.874 -129.094 70.2295 39.4919 51.4427 197.746 PRESSAVG: 162400 -28.5033 7.96557 -6.49037 7.96554 -25.6943 2.15365 -6.49032 2.1535 54.8359 GPRESSAVG: 162400 -28.4877 8.6523 -7.19733 8.97131 -25.6844 1.47655 -5.58145 3.24327 54.7773 TIMING: 162400 CPU: 484.724, 0.00297747/step Wall: 484.724, 0.00297747/step, 4.00105 hours remaining, 205.257812 MB of memory in use. ENERGY: 162400 736.8227 2051.3689 1926.8453 102.3172 -206184.5991 17907.3358 0.0000 0.0000 34587.5810 -148872.3282 302.0619 -183459.9092 -148773.0797 300.3894 -3.2017 30.0391 557261.9849 0.2128 0.2017 PRESSURE: 162600 58.8817 -3.85447 0.161714 -3.85434 158.242 149.782 0.161891 149.782 106.508 GPRESSURE: 162600 85.0513 -46.3383 -33.3076 34.2492 194.685 99.6931 -13.7206 119.942 149.935 PRESSAVG: 162600 -16.4749 -18.9854 19.5108 -18.9854 -13.1859 -13.0283 19.5108 -13.0283 15.4508 GPRESSAVG: 162600 -17.9136 -20.7786 20.34 -18.1781 -13.4834 -13.1207 18.9652 -13.1354 16.8612 TIMING: 162600 CPU: 485.317, 0.00296446/step Wall: 485.317, 0.00296446/step, 3.98342 hours remaining, 205.257812 MB of memory in use. ENERGY: 162600 745.2571 2102.8030 1915.1058 111.1250 -206244.4605 17880.5487 0.0000 0.0000 34447.1607 -149042.4604 300.8356 -183489.6210 -148951.5666 299.6995 107.8772 143.2238 557363.5603 -4.7366 -4.8453 PRESSURE: 162800 189.975 -16.8287 -60.9307 -16.8283 325.819 65.5359 -60.9321 65.5353 92.2562 GPRESSURE: 162800 183.305 37.7902 -51.3676 -66.5628 314.867 75.7009 -72.9734 62.1595 199.042 PRESSAVG: 162800 -41.6932 6.55684 -0.881774 6.55691 11.2733 -15.919 -0.88175 -15.919 62.2694 GPRESSAVG: 162800 -40.0505 6.6422 -1.4047 6.20775 10.2413 -15.2079 -0.816455 -14.7559 61.638 TIMING: 162800 CPU: 485.914, 0.00298699/step Wall: 485.914, 0.00298699/step, 4.01352 hours remaining, 205.257812 MB of memory in use. ENERGY: 162800 745.4064 2098.1202 1953.6848 115.4607 -206277.4783 17946.5993 0.0000 0.0000 34358.2700 -149059.9370 300.0593 -183418.2070 -148962.7086 300.0633 202.6835 232.4046 557616.0822 10.6165 10.6096 PRESSURE: 163000 -261.627 94.8323 -12.9603 94.8324 -133.009 49.3535 -12.9614 49.3523 93.3617 GPRESSURE: 163000 -134.742 109.578 -16.9879 25.9118 -119.811 3.43174 25.5848 107.389 44.4898 PRESSAVG: 163000 30.5141 -57.2992 -2.11596 -57.2991 25.0329 10.4337 -2.11603 10.4335 -77.8927 GPRESSAVG: 163000 30.3861 -57.7474 -2.31464 -57.185 24.8816 10.5667 -3.35184 8.47315 -78.0806 TIMING: 163000 CPU: 486.513, 0.00299303/step Wall: 486.513, 0.00299303/step, 4.02147 hours remaining, 205.257812 MB of memory in use. ENERGY: 163000 720.9663 2089.0821 1942.2665 124.6992 -205744.9794 17602.0827 0.0000 0.0000 34296.7517 -148969.1310 299.5221 -183265.8826 -148875.8313 298.9621 -100.4249 -70.0210 559642.8720 -7.4486 -7.6043 PRESSURE: 163200 -43.9969 35.7235 94.4034 35.7224 20.1359 63.5941 94.4035 63.5923 -54.9752 GPRESSURE: 163200 5.95602 35.2964 121.411 59.4889 32.728 99.798 183.183 50.2447 -17.1081 PRESSAVG: 163200 30.1748 50.1405 12.2518 50.1407 -4.40471 -19.4857 12.2518 -19.4857 -39.5826 GPRESSAVG: 163200 30.3533 50.9995 12.8154 50.6511 -3.4019 -20.3417 12.1752 -17.5878 -41.1823 TIMING: 163200 CPU: 487.109, 0.00298158/step Wall: 487.109, 0.00298158/step, 4.00592 hours remaining, 205.257812 MB of memory in use. ENERGY: 163200 764.2049 2105.1755 1933.5739 107.1583 -206295.3477 17804.5512 0.0000 0.0000 34438.0510 -149142.6329 300.7561 -183580.6839 -149044.5527 299.7528 -26.2787 7.1920 558729.3820 -4.6042 -4.7436 PRESSURE: 163400 -249.283 -51.395 -65.606 -51.3962 139.34 -35.595 -65.6072 -35.5952 -59.115 GPRESSURE: 163400 -188.754 -113.897 32.2282 -34.2392 191.233 -59.52 -42.9126 1.68994 -74.5758 PRESSAVG: 163400 26.9125 -49.8932 -0.182314 -49.8931 -0.210955 19.1374 -0.182249 19.1375 17.3528 GPRESSAVG: 163400 25.5023 -50.0016 0.356023 -51.1409 -0.889469 18.592 1.22651 20.4089 19.7488 TIMING: 163400 CPU: 487.709, 0.0030019/step Wall: 487.709, 0.0030019/step, 4.03305 hours remaining, 205.257812 MB of memory in use. ENERGY: 163400 725.4787 2146.0286 1947.1423 114.1609 -206000.7926 17639.4069 0.0000 0.0000 34335.4157 -149093.1594 299.8597 -183428.5751 -148998.6730 299.2011 -56.3527 -24.0320 558190.3323 14.6848 14.7872 PRESSURE: 163600 -173.921 -39.0854 -168.801 -39.0858 -74.2284 67.0511 -168.802 67.0521 -69.0194 GPRESSURE: 163600 -113.767 -56.1429 -100.602 -69.9539 -74.1112 103.742 -197.825 -26.0425 -32.5617 PRESSAVG: 163600 3.92137 -9.46326 16.0642 -9.46332 -22.3974 18.8244 16.0642 18.8244 -10.5221 GPRESSAVG: 163600 5.29722 -7.75368 17.5876 -8.30716 -22.639 21.1754 13.2077 17.375 -11.2533 TIMING: 163600 CPU: 488.303, 0.00296738/step Wall: 488.303, 0.00296738/step, 3.98652 hours remaining, 205.257812 MB of memory in use. ENERGY: 163600 734.0314 2147.8511 1938.7723 122.1889 -206025.3762 17719.3384 0.0000 0.0000 34332.5360 -149030.6580 299.8346 -183363.1941 -148927.8405 300.2911 -105.7230 -73.4800 559447.0398 -9.6660 -9.5317 PRESSURE: 163800 -152.348 -63.7584 -137.925 -63.7586 74.8429 32.1955 -137.924 32.1953 60.2058 GPRESSURE: 163800 -145.291 -12.4089 -131.75 -20.1255 122.843 24.2243 -136.073 33.4837 110.647 PRESSAVG: 163800 -48.7998 21.8644 -22.7623 21.8644 39.3057 -11.3329 -22.7622 -11.3329 23.9447 GPRESSAVG: 163800 -49.677 21.7038 -25.1417 21.6706 39.578 -14.6628 -20.5234 -10.4006 24.2201 TIMING: 163800 CPU: 488.9, 0.00298464/step Wall: 488.9, 0.00298464/step, 4.00953 hours remaining, 205.257812 MB of memory in use. ENERGY: 163800 777.6118 2103.4647 1916.3961 110.1819 -206147.5538 17779.8558 0.0000 0.0000 34364.8814 -149095.1622 300.1171 -183460.0436 -149004.0780 300.6178 -5.7663 29.3995 557812.7862 4.8169 4.7070 PRESSURE: 164000 -61.4478 -138.228 63.3467 -138.229 -314.972 137.759 63.3441 137.759 171.747 GPRESSURE: 164000 -108.879 -147.793 110.868 -81.6843 -192.148 71.8169 17.9484 183.108 190.114 PRESSAVG: 164000 -6.19546 -21.7873 3.06577 -21.7873 -34.8581 75.2691 3.06584 75.2691 35.7309 GPRESSAVG: 164000 -5.53157 -23.3714 4.09272 -22.3962 -34.7445 76.8405 2.10692 73.9096 35.1037 TIMING: 164000 CPU: 489.494, 0.00296814/step Wall: 489.494, 0.00296814/step, 3.9872 hours remaining, 205.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 164000 759.5294 2122.1352 1927.2304 113.6399 -206047.6877 17719.5769 0.0000 0.0000 34360.3639 -149045.2120 300.0776 -183405.5759 -148950.9904 299.7713 -68.2244 -36.9709 557238.5853 -1.7742 -1.7241 PRESSURE: 164200 -17.3984 165.918 42.4817 165.918 146.11 -81.7855 42.4819 -81.7838 -28.77 GPRESSURE: 164200 20.0819 107.336 153.08 229.01 129.103 -46.9565 -4.40303 87.6341 44.6577 PRESSAVG: 164200 49.919 5.52512 32.4548 5.52502 -61.4402 -1.11507 32.4548 -1.11507 -9.82685 GPRESSAVG: 164200 48.4162 6.27933 31.1685 6.08893 -61.4055 -2.90736 33.0943 0.807739 -8.33995 TIMING: 164200 CPU: 490.087, 0.00296752/step Wall: 490.087, 0.00296752/step, 3.9862 hours remaining, 205.257812 MB of memory in use. ENERGY: 164200 747.8649 2110.0326 1912.1060 103.6518 -206156.3510 17790.5813 0.0000 0.0000 34556.8486 -148935.2657 301.7936 -183492.1143 -148840.3171 300.2338 33.3139 64.6141 557020.8282 -7.1160 -7.1098 LDB: ============= START OF LOAD BALANCING ============== 493.637 LDB: ============== END OF LOAD BALANCING =============== 493.637 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 493.639 LDB: ============= START OF LOAD BALANCING ============== 493.94 LDB: Largest compute 4795 load 0.027720 is 23.5% of average load 0.118036 LDB: Average compute 0.001737 is 1.5% of average load 0.118036 LDB: TIME 493.942 LOAD: AVG 0.118036 MAX 0.21084 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.016 MB LDB: TIME 493.943 LOAD: AVG 0.118036 MAX 0.21084 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.016 MB LDB: TIME 493.943 LOAD: AVG 0.118036 MAX 0.21084 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.016 MB LDB: ============== END OF LOAD BALANCING =============== 493.945 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 493.949 PRESSURE: 164400 -23.3707 -31.4874 182.829 -31.4874 16.1261 114.627 182.828 114.628 323.578 GPRESSURE: 164400 11.9095 -50.0308 133.347 -20.1312 82.0628 83.8049 192.025 83.6694 316.073 PRESSAVG: 164400 44.2753 20.4275 60.3852 20.4275 -56.8829 5.02358 60.3851 5.02353 32.1272 GPRESSAVG: 164400 44.9545 21.2775 61.6198 21.4285 -56.2232 5.81355 59.167 3.95866 30.333 TIMING: 164400 CPU: 490.699, 0.00305924/step Wall: 490.699, 0.00305924/step, 4.10925 hours remaining, 204.789062 MB of memory in use. ENERGY: 164400 741.0369 2083.6460 1920.4821 109.3964 -205920.1913 17688.3828 0.0000 0.0000 34380.5421 -148996.7050 300.2538 -183377.2471 -148901.3301 300.2825 105.4443 136.6819 555455.9083 6.5065 6.3548 PRESSURE: 164600 -0.364765 -65.6033 51.8235 -65.6024 -167.818 2.67357 51.8235 2.67295 -51.0138 GPRESSURE: 164600 24.6646 -50.1628 83.3842 -2.69335 -155.699 5.32056 17.7533 25.664 -0.178322 PRESSAVG: 164600 -25.8587 -9.24165 73.3773 -9.24164 13.5963 17.6241 73.3772 17.6241 36.3822 GPRESSAVG: 164600 -26.1788 -9.35688 73.7367 -10.9345 12.57 17.5289 74.3799 18.5892 37.781 TIMING: 164600 CPU: 491.299, 0.00299984/step Wall: 491.299, 0.00299984/step, 4.02929 hours remaining, 204.789062 MB of memory in use. ENERGY: 164600 775.2089 2095.2446 1929.5568 109.8674 -205793.4677 17612.0022 0.0000 0.0000 34259.3499 -149012.2378 299.1954 -183271.5877 -148922.6338 300.2068 -73.0654 -43.7374 557335.6455 8.0399 8.0574 PRESSURE: 164800 285.786 -156.889 -72.1986 -156.89 -33.8025 4.12672 -72.1991 4.12621 174.989 GPRESSURE: 164800 277.073 -194.423 -113.612 -211.431 43.6558 28.9608 -4.61352 44.0433 209.173 PRESSAVG: 164800 1.86259 6.16732 -45.8383 6.16725 -45.7235 40.1777 -45.8384 40.1776 26.0576 GPRESSAVG: 164800 2.07944 7.67456 -45.4762 6.67209 -45.3712 42.2444 -44.2197 38.3349 25.7458 TIMING: 164800 CPU: 491.9, 0.00300749/step Wall: 491.9, 0.00300749/step, 4.03939 hours remaining, 204.789062 MB of memory in use. ENERGY: 164800 720.7496 2086.6305 1938.4822 102.2148 -206452.9631 18203.9711 0.0000 0.0000 34341.5206 -149059.3944 299.9130 -183400.9150 -148962.3332 299.9783 142.3242 176.6337 557395.0093 -5.9344 -5.8486 PRESSURE: 165000 42.6904 6.76551 3.16429 6.76665 -251.142 35.376 3.16544 35.3759 9.59495 GPRESSURE: 165000 -28.8628 -19.5038 -11.398 13.3647 -174.143 12.3044 23.7867 30.0802 104.402 PRESSAVG: 165000 -25.2725 15.2202 29.985 15.2202 -19.811 38.6969 29.9851 38.6969 29.5992 GPRESSAVG: 165000 -25.4701 13.1694 30.0227 17.7692 -20.1753 38.2564 29.1702 39.4048 29.8897 TIMING: 165000 CPU: 492.497, 0.00298273/step Wall: 492.497, 0.00298273/step, 4.00597 hours remaining, 204.789062 MB of memory in use. ENERGY: 165000 757.7548 2104.2957 1924.6161 119.7067 -205918.3150 17783.5856 0.0000 0.0000 34103.1434 -149125.2127 297.8312 -183228.3561 -149029.2243 299.6161 -66.2854 -32.8682 559702.5506 -5.1614 -5.2519 PRESSURE: 165200 -232.127 -47.3162 11.3358 -47.3163 -43.656 -0.0578031 11.3352 -0.059485 -70.4465 GPRESSURE: 165200 -214.886 5.1643 41.4497 -1.63325 -31.3596 57.3734 4.13002 84.2891 -4.60919 PRESSAVG: 165200 -52.1866 45.8106 6.47442 45.8106 -12.0087 12.2034 6.4744 12.2033 76.0529 GPRESSAVG: 165200 -51.9861 47.3256 4.79102 43.2607 -11.4841 12.1321 6.22273 12.3987 75.5046 TIMING: 165200 CPU: 493.093, 0.00297985/step Wall: 493.093, 0.00297985/step, 4.00193 hours remaining, 204.867188 MB of memory in use. ENERGY: 165200 742.6930 2056.1706 1926.7230 109.1338 -205530.5737 17395.5870 0.0000 0.0000 34177.1221 -149123.1442 298.4773 -183300.2663 -149028.5882 299.9078 -115.4099 -83.6181 557605.2819 3.9526 4.0115 PRESSURE: 165400 -43.3376 99.1492 -26.1629 99.1501 -12.6074 90.0665 -26.1624 90.0668 136.781 GPRESSURE: 165400 -88.5859 123.057 -93.8634 136.081 57.8779 -5.3092 41.8635 94.0556 226.462 PRESSAVG: 165400 -32.6458 76.816 16.3747 76.8159 6.06425 -4.50965 16.3747 -4.50961 52.5799 GPRESSAVG: 165400 -32.7052 76.3569 19.3298 75.7842 6.12397 -7.24617 16.0725 -3.9448 52.7564 TIMING: 165400 CPU: 493.696, 0.00301394/step Wall: 493.696, 0.00301394/step, 4.04756 hours remaining, 205.125000 MB of memory in use. ENERGY: 165400 735.4699 2092.5677 1950.2889 117.7554 -205908.1955 17818.6803 0.0000 0.0000 34229.7325 -148963.7008 298.9368 -183193.4333 -148863.1905 299.6148 26.9454 65.2515 556564.9271 8.6661 8.7251 PRESSURE: 165600 -122.068 55.1339 -79.2424 55.1349 129.141 -30.8385 -79.2421 -30.8386 -232.442 GPRESSURE: 165600 -67.422 5.89012 -22.7235 189.704 118.504 24.5015 -98.1227 11.1728 -171.784 PRESSAVG: 165600 -47.1308 29.3313 -12.875 29.3313 94.9426 -9.35713 -12.8748 -9.35711 -27.2628 GPRESSAVG: 165600 -47.1589 28.0742 -15.5769 31.1956 96.0931 -9.02176 -11.2383 -8.99482 -28.2685 TIMING: 165600 CPU: 494.295, 0.00299731/step Wall: 494.295, 0.00299731/step, 4.02505 hours remaining, 205.125000 MB of memory in use. ENERGY: 165600 762.5056 2103.4646 1902.7810 109.0254 -205870.5471 17752.9394 0.0000 0.0000 34308.4391 -148931.3920 299.6241 -183239.8310 -148833.6102 299.3318 -75.1227 -40.2340 558510.6002 6.8496 6.8885 PRESSURE: 165800 178.026 57.1407 -43.6683 57.1415 6.45827 65.0924 -43.6668 65.0942 -144.349 GPRESSURE: 165800 162.486 103.861 -54.6856 18.7753 83.2907 81.5107 11.7694 17.1964 -113.17 PRESSAVG: 165800 34.0482 29.1122 -11.2613 29.1122 53.4113 -24.7114 -11.2612 -24.7114 -61.5615 GPRESSAVG: 165800 33.3661 29.7281 -10.2641 30.4378 52.2036 -20.9631 -11.5736 -28.1029 -59.7038 TIMING: 165800 CPU: 494.894, 0.00299223/step Wall: 494.894, 0.00299223/step, 4.01806 hours remaining, 205.125000 MB of memory in use. ENERGY: 165800 747.1314 2092.4507 1925.2624 109.2768 -206132.4680 17897.4502 0.0000 0.0000 34437.4639 -148923.4327 300.7509 -183360.8966 -148830.0877 299.8540 13.3785 44.2020 556768.5184 8.6327 8.6219 PRESSURE: 166000 31.5619 241.497 16.5242 241.497 -347.19 105.42 16.5246 105.421 -115.941 GPRESSURE: 166000 43.6696 172.227 -77.4163 252.499 -297.307 74.8477 -2.38371 93.2364 -71.3021 PRESSAVG: 166000 -91.0281 111.78 -30.0788 111.78 42.1506 43.6225 -30.0787 43.6226 76.1476 GPRESSAVG: 166000 -89.4844 111.51 -27.8536 110.486 42.485 40.8747 -31.0651 44.4504 74.4934 TIMING: 166000 CPU: 495.494, 0.00300307/step Wall: 495.494, 0.00300307/step, 4.03245 hours remaining, 205.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 166000 724.4492 2041.6635 1934.5402 114.3144 -205766.9054 17598.7396 0.0000 0.0000 34570.0109 -148783.1876 301.9085 -183353.1985 -148679.0162 300.1468 -143.8565 -108.3130 559278.4693 9.0900 9.1647 PRESSURE: 166200 121.769 -68.8694 -174.812 -68.8679 48.6115 37.1741 -174.811 37.1742 62.4217 GPRESSURE: 166200 134.902 -33.8538 -200.175 -72.4305 110.193 -39.5829 -119.719 47.7009 91.6343 PRESSAVG: 166200 -4.71053 36.5275 -54.7299 36.5275 -27.5081 14.7062 -54.7298 14.7062 56.4018 GPRESSAVG: 166200 -4.68889 37.3726 -56.6009 35.7237 -28.2745 16.937 -53.29 15.2393 57.2831 TIMING: 166200 CPU: 496.093, 0.00299309/step Wall: 496.093, 0.00299309/step, 4.01889 hours remaining, 205.125000 MB of memory in use. ENERGY: 166200 752.8062 2033.8535 1942.3171 110.9628 -205739.0272 17776.7987 0.0000 0.0000 34356.6774 -148765.6115 300.0454 -183122.2889 -148670.5569 301.0709 77.6007 112.2433 557354.0168 8.0611 8.1066 PRESSURE: 166400 -5.90382 -11.6008 -88.9514 -11.6014 -407.833 54.875 -88.9526 54.8754 -359.866 GPRESSURE: 166400 -46.8312 11.3928 -118.462 -19.1397 -328.68 85.5353 -157.445 -0.227865 -302.144 PRESSAVG: 166400 68.5456 5.49825 -59.6329 5.49825 -42.7977 63.1891 -59.6331 63.1892 -41.6315 GPRESSAVG: 166400 68.4291 6.22125 -57.9293 5.34225 -43.2785 62.3571 -61.08 64.1593 -40.901 TIMING: 166400 CPU: 496.69, 0.0029878/step Wall: 496.69, 0.0029878/step, 4.01162 hours remaining, 205.125000 MB of memory in use. ENERGY: 166400 762.6115 2084.7379 1954.4226 121.7118 -205534.0664 17434.2410 0.0000 0.0000 34329.9965 -148846.3450 299.8124 -183176.3415 -148751.9422 300.4174 -257.8676 -225.8849 558022.5899 -5.2945 -5.2501 PRESSURE: 166600 -206.153 69.282 -164.992 69.2821 -22.6825 -37.6046 -164.993 -37.6048 16.2814 GPRESSURE: 166600 -171.714 91.2775 -125.466 61.6794 11.7109 -109.82 -156.065 0.297993 56.0871 PRESSAVG: 166600 19.411 7.28661 -55.7714 7.28675 -40.828 -9.66752 -55.7714 -9.66754 21.4973 GPRESSAVG: 166600 18.0932 6.03347 -55.3389 8.56312 -39.0684 -9.8307 -55.0521 -10.6117 20.8166 TIMING: 166600 CPU: 497.287, 0.00298189/step Wall: 497.287, 0.00298189/step, 4.00351 hours remaining, 205.125000 MB of memory in use. ENERGY: 166600 764.3341 2057.3034 1942.3205 112.4819 -205672.8886 17602.4887 0.0000 0.0000 34347.8150 -148846.1450 299.9680 -183193.9600 -148749.3628 299.6632 -70.8515 -34.6387 556885.9343 0.0268 -0.0529 PRESSURE: 166800 -145.066 -109.102 1.42714 -109.101 -110.76 -192.288 1.42829 -192.289 8.06611 GPRESSURE: 166800 -133.432 -166.216 -25.9809 -194.074 -32.6457 -212.908 -15.1283 -172.559 14.7847 PRESSAVG: 166800 7.58202 -6.73533 -33.3485 -6.73529 -7.33845 -28.9534 -33.3485 -28.9535 13.8059 GPRESSAVG: 166800 8.41755 -6.30832 -34.4548 -8.87194 -8.06413 -28.5 -32.1014 -28.045 14.261 TIMING: 166800 CPU: 497.885, 0.00299255/step Wall: 497.885, 0.00299255/step, 4.01767 hours remaining, 205.125000 MB of memory in use. ENERGY: 166800 751.7256 2080.5436 1947.3303 114.9505 -205493.7560 17456.6875 0.0000 0.0000 34312.2369 -148830.2816 299.6573 -183142.5185 -148733.2112 300.4205 -82.5864 -50.4310 558270.7885 4.6832 4.8715 PRESSURE: 167000 -341.452 37.3595 -286.289 37.3587 -139.697 7.00826 -286.289 7.00887 -402.338 GPRESSURE: 167000 -294.748 70.1675 -218.201 -14.1137 -103.055 68.4424 -273.718 -32.334 -398.479 PRESSAVG: 167000 12.3084 -11.0977 -44.6474 -11.0977 32.6137 20.8762 -44.6473 20.8761 -14.0834 GPRESSAVG: 167000 11.5276 -11.1405 -44.8594 -10.2448 34.3995 21.4034 -45.5388 18.8109 -14.4865 TIMING: 167000 CPU: 498.48, 0.00297462/step Wall: 498.48, 0.00297462/step, 3.99343 hours remaining, 205.125000 MB of memory in use. ENERGY: 167000 763.1342 2078.1637 1943.0536 124.4474 -205522.1774 17434.6662 0.0000 0.0000 34412.7700 -148765.9423 300.5353 -183178.7123 -148664.9525 300.9560 -294.4956 -265.4274 558205.1890 10.2795 10.4802 PRESSURE: 167200 -87.1826 88.9364 -162.683 88.9371 -378.784 16.2 -162.684 16.2004 -166.791 GPRESSURE: 167200 -75.8877 14.8861 -173.69 70.6856 -286.03 80.1778 -185.407 -64.2268 -164.912 PRESSAVG: 167200 -38.9073 -28.0645 -25.5031 -28.0646 21.0941 31.164 -25.5032 31.1639 34.1881 GPRESSAVG: 167200 -38.0244 -29.4269 -26.0503 -26.7096 19.924 29.573 -25.6228 32.7629 34.8733 TIMING: 167200 CPU: 499.072, 0.00295715/step Wall: 499.072, 0.00295715/step, 3.96981 hours remaining, 205.125000 MB of memory in use. ENERGY: 167200 753.7757 2086.4090 1944.4079 115.8303 -205689.1645 17561.1518 0.0000 0.0000 34408.2998 -148819.2899 300.4962 -183227.5898 -148718.6020 300.6297 -210.9192 -175.6097 558837.3371 5.4583 5.5910 PRESSURE: 167400 49.0764 76.7383 69.3715 76.7386 210.599 -120.584 69.3709 -120.585 -78.4563 GPRESSURE: 167400 100.797 193.263 114.829 8.52449 241.375 -146.96 93.56 -172.046 -53.2039 PRESSAVG: 167400 -44.5583 -56.1372 9.14686 -56.1371 93.2076 -56.2522 9.14675 -56.2522 -62.4589 GPRESSAVG: 167400 -45.4453 -53.5818 10.0748 -57.6019 93.3622 -54.8809 8.18052 -56.3264 -62.1873 TIMING: 167400 CPU: 499.672, 0.00300254/step Wall: 499.672, 0.00300254/step, 4.03058 hours remaining, 205.125000 MB of memory in use. ENERGY: 167400 738.7664 2087.1167 1951.3503 102.5705 -205594.7768 17733.8092 0.0000 0.0000 34134.2966 -148846.8672 298.1033 -182981.1638 -148759.3984 300.1377 60.4064 96.3228 556861.6675 -4.6032 -4.7568 PRESSURE: 167600 -203.659 -95.6717 -103.974 -95.672 -16.4632 -44.1589 -103.973 -44.1594 -251.543 GPRESSURE: 167600 -190.972 -181.604 -15.0248 -59.0603 37.7203 -42.23 -136.357 -9.37678 -227.765 PRESSAVG: 167600 -27.1655 -32.0422 21.3999 -32.0423 92.6667 -22.6466 21.3999 -22.6466 0.90827 GPRESSAVG: 167600 -24.9013 -33.5875 20.4945 -31.9285 91.8936 -23.968 22.1974 -21.7854 -0.304857 TIMING: 167600 CPU: 500.268, 0.00298152/step Wall: 500.268, 0.00298152/step, 4.00219 hours remaining, 205.125000 MB of memory in use. ENERGY: 167600 784.5598 2045.7400 1917.6809 110.1238 -206020.0705 17706.6763 0.0000 0.0000 34560.4949 -148894.7949 301.8254 -183455.2898 -148797.9526 301.2309 -157.2216 -127.0056 557295.5077 22.1365 22.2291 PRESSURE: 167800 -0.434752 -48.87 -168.005 -48.8698 315.092 61.3589 -168.003 61.3599 131.984 GPRESSURE: 167800 27.9851 -41.084 -191.632 -48.043 363.173 100.043 -152.943 52.6799 158.576 PRESSAVG: 167800 -23.0333 -56.0435 -52.8246 -56.0435 31.187 55.8428 -52.8246 55.8429 -31.2723 GPRESSAVG: 167800 -24.6294 -54.7522 -52.196 -55.6157 31.316 57.4793 -52.0797 55.8787 -30.2563 TIMING: 167800 CPU: 500.863, 0.00297288/step Wall: 500.863, 0.00297288/step, 3.99044 hours remaining, 205.125000 MB of memory in use. ENERGY: 167800 758.7044 2083.7215 1936.7309 108.0742 -206359.7526 18184.2557 0.0000 0.0000 34353.5199 -148934.7459 300.0178 -183288.2659 -148845.9272 299.8074 148.8806 183.2446 556976.6489 -7.7062 -7.8566 PRESSURE: 168000 13.3835 -165.532 -67.9316 -165.531 24.2669 27.231 -67.9328 27.2314 55.6426 GPRESSURE: 168000 1.3143 -81.9955 -114.028 -116.506 30.3824 -53.5394 -27.7705 67.3136 155.516 PRESSAVG: 168000 18.6028 -46.7105 -56.7394 -46.7105 -10.8427 -11.1653 -56.7393 -11.1653 -2.08835 GPRESSAVG: 168000 19.3263 -47.8326 -58.4211 -48.0918 -10.4899 -15.1983 -56.5929 -12.6168 -3.25489 TIMING: 168000 CPU: 501.457, 0.00296984/step Wall: 501.457, 0.00296984/step, 3.98619 hours remaining, 205.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 168000 766.5339 2077.0669 1917.9153 114.4083 -205973.1970 17707.6095 0.0000 0.0000 34434.2447 -148955.4184 300.7228 -183389.6631 -148863.1858 300.0810 31.0977 62.4042 556613.6613 1.8906 1.8605 PRESSURE: 168200 109.074 197.752 -61.6913 197.751 138.607 77.4755 -61.6908 77.4758 -147.042 GPRESSURE: 168200 147.331 87.7886 -69.8495 235.274 182.849 125.265 -27.2173 39.0401 -141.085 PRESSAVG: 168200 -19.8726 2.27773 -20.0665 2.27778 33.3615 32.4076 -20.0665 32.4075 -32.2583 GPRESSAVG: 168200 -20.6399 1.59411 -18.4055 3.16381 33.0672 33.947 -22.1291 36.2635 -31.5909 TIMING: 168200 CPU: 502.052, 0.00297479/step Wall: 502.052, 0.00297479/step, 3.99267 hours remaining, 205.125000 MB of memory in use. ENERGY: 168200 727.3692 2070.5703 1919.2851 98.3627 -205693.3850 17646.0382 0.0000 0.0000 34307.4300 -148924.3295 299.6153 -183231.7595 -148825.3854 299.8517 33.5462 63.0318 556549.6252 -6.2565 -6.3878 LDB: ============= START OF LOAD BALANCING ============== 505.599 LDB: ============== END OF LOAD BALANCING =============== 505.599 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 505.601 LDB: ============= START OF LOAD BALANCING ============== 505.897 LDB: Largest compute 4795 load 0.028064 is 23.8% of average load 0.117958 LDB: Average compute 0.001738 is 1.5% of average load 0.117958 LDB: TIME 505.899 LOAD: AVG 0.117958 MAX 0.209643 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.309 MB LDB: TIME 505.9 LOAD: AVG 0.117958 MAX 0.209643 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.309 MB LDB: TIME 505.9 LOAD: AVG 0.117958 MAX 0.209643 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.309 MB LDB: ============== END OF LOAD BALANCING =============== 505.901 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 505.905 Info: useSync: 0 useProxySync: 0 PRESSURE: 168400 59.5518 -64.182 -1.65459 -64.1828 -147.697 36.0153 -1.65397 36.0157 40.7334 GPRESSURE: 168400 108.959 -85.5602 -7.51663 -68.2634 -117.967 53.4855 37.7131 59.0178 62.113 PRESSAVG: 168400 14.3221 22.1362 -39.8849 22.1362 -31.3747 -55.2974 -39.8849 -55.2974 34.3397 GPRESSAVG: 168400 15.5198 22.2772 -40.2383 22.6322 -31.3946 -55.4716 -38.1339 -57.4942 33.7205 TIMING: 168400 CPU: 502.655, 0.00301748/step Wall: 502.655, 0.00301748/step, 4.0498 hours remaining, 204.820312 MB of memory in use. ENERGY: 168400 717.9000 2123.8566 1922.8479 108.3938 -205900.9702 17788.3737 0.0000 0.0000 34368.5489 -148871.0492 300.1491 -183239.5981 -148776.0042 300.1327 -15.8039 17.7017 557896.1911 5.7624 5.9486 PRESSURE: 168600 -286.189 77.8856 19.3274 77.8863 -269.494 -92.9754 19.3261 -92.9766 -25.2554 GPRESSURE: 168600 -266.189 56.9794 9.59888 -19.6159 -212.824 -151.704 139.13 13.203 -13.446 PRESSAVG: 168600 -17.398 34.3592 -24.7657 34.3591 24.1983 16.7058 -24.7657 16.7057 -20.3011 GPRESSAVG: 168600 -18.2712 36.9869 -25.567 31.1651 24.4331 16.1616 -25.262 18.611 -20.0869 TIMING: 168600 CPU: 503.245, 0.00294667/step Wall: 503.245, 0.00294667/step, 3.95459 hours remaining, 205.066406 MB of memory in use. ENERGY: 168600 768.6458 2079.9710 1939.5701 99.8979 -206089.5813 17757.7631 0.0000 0.0000 34362.0434 -149081.6900 300.0923 -183443.7334 -148991.4888 300.0153 -193.6459 -164.1531 558758.0610 -4.5003 -4.6417 PRESSURE: 168800 192.895 80.0114 -0.867887 80.0107 -37.1053 -9.04221 -0.86702 -9.04049 508.812 GPRESSURE: 168800 199.881 127.158 -8.61395 45.1734 39.353 26.8161 -1.25261 -86.3934 521.085 PRESSAVG: 168800 66.2252 0.845859 17.603 0.845856 -11.39 3.62721 17.6031 3.62704 -37.2134 GPRESSAVG: 168800 66.8007 -0.859971 17.8674 3.94507 -10.7541 4.40603 16.372 0.269947 -37.785 TIMING: 168800 CPU: 503.84, 0.00297677/step Wall: 503.84, 0.00297677/step, 3.99482 hours remaining, 205.066406 MB of memory in use. ENERGY: 168800 718.4373 2079.5694 1918.3579 104.7509 -206389.8402 17983.6985 0.0000 0.0000 34416.1676 -149168.8585 300.5650 -183585.0261 -149073.7998 300.2936 221.5340 253.4397 557264.2907 5.8739 6.0872 PRESSURE: 169000 -37.5138 -97.2624 -12.5179 -97.2618 122.874 -85.7439 -12.5184 -85.7442 84.3563 GPRESSURE: 169000 -66.4257 -126.759 13.1829 -31.0501 166.416 -136.62 -31.8844 -38.8451 173.529 PRESSAVG: 169000 -71.6192 -26.8928 -29.6644 -26.8928 36.4255 51.8468 -29.6644 51.8468 31.4693 GPRESSAVG: 169000 -72.3295 -28.3691 -31.1062 -25.395 35.2824 52.8241 -28.4645 53.2578 33.3493 TIMING: 169000 CPU: 504.442, 0.00300901/step Wall: 504.442, 0.00300901/step, 4.03792 hours remaining, 205.066406 MB of memory in use. ENERGY: 169000 711.4804 2127.5784 1929.4717 115.1102 -205879.0717 17660.1551 0.0000 0.0000 34246.3282 -149088.9476 299.0817 -183335.2758 -148995.2280 299.7041 56.5722 91.1730 555082.7075 -1.2415 -1.2326 PRESSURE: 169200 -166.016 -147.375 -13.2337 -147.375 -78.6138 45.1492 -13.2348 45.1488 -81.1053 GPRESSURE: 169200 -180.026 -80.6102 4.08791 -146.135 -43.5519 30.4812 87.7642 45.8395 -2.93229 PRESSAVG: 169200 -8.54042 -24.3977 -13.8484 -24.3977 54.1077 67.3294 -13.8483 67.3294 -32.746 GPRESSAVG: 169200 -9.08995 -24.0403 -14.8959 -25.8814 54.1698 67.9099 -12.3377 67.8856 -32.1185 TIMING: 169200 CPU: 505.045, 0.00301696/step Wall: 505.045, 0.00301696/step, 4.04842 hours remaining, 205.066406 MB of memory in use. ENERGY: 169200 723.8995 2072.9441 1927.0134 105.4787 -205754.3885 17534.4446 0.0000 0.0000 34246.1469 -149144.4613 299.0801 -183390.6082 -149042.2785 299.7447 -108.5782 -75.5034 557419.3839 4.2738 4.3204 PRESSURE: 169400 -76.2573 72.6263 14.3607 72.6263 -182.607 -106.795 14.3606 -106.795 46.3455 GPRESSURE: 169400 -1.73975 165.135 20.8487 35.6071 -155.375 -154.246 -12.4576 -50.8154 38.7045 PRESSAVG: 169400 3.32958 -25.7082 -58.9195 -25.7081 65.1356 -24.176 -58.9195 -24.1759 -63.9737 GPRESSAVG: 169400 5.56577 -24.0156 -56.9734 -26.0135 64.6561 -24.5795 -60.9599 -24.6457 -65.971 TIMING: 169400 CPU: 505.644, 0.00299603/step Wall: 505.644, 0.00299603/step, 4.02018 hours remaining, 205.066406 MB of memory in use. ENERGY: 169400 731.2868 2123.8117 1905.0624 108.2487 -205934.3322 17647.6973 0.0000 0.0000 34377.0608 -149041.1646 300.2234 -183418.2254 -148947.7174 299.6239 -70.8395 -39.4700 557133.1815 1.4972 1.4170 PRESSURE: 169600 -81.5936 53.6898 -57.3515 53.6899 1.88106 55.5263 -57.3508 55.5266 -273.029 GPRESSURE: 169600 -89.3476 45.7877 81.4691 83.9828 104.594 128.162 -164.159 17.7589 -276.849 PRESSAVG: 169600 -43.5387 12.2269 -17.6931 12.2268 50.4234 -10.4833 -17.6931 -10.4833 -5.41932 GPRESSAVG: 169600 -45.7966 12.2649 -17.0965 12.0249 51.7472 -9.66587 -17.9863 -12.4365 -4.65945 TIMING: 169600 CPU: 506.239, 0.00297093/step Wall: 506.239, 0.00297093/step, 3.98632 hours remaining, 205.066406 MB of memory in use. ENERGY: 169600 731.6936 2123.2977 1903.1118 108.0177 -205669.1168 17569.9321 0.0000 0.0000 34219.1923 -149013.8715 298.8447 -183233.0638 -148921.4848 299.9932 -117.5805 -87.2007 557262.2452 0.4885 0.4304 PRESSURE: 169800 -291.798 -140.521 -213.738 -140.522 -119.161 -80.9622 -213.737 -80.9605 33.354 GPRESSURE: 169800 -248.346 -81.5249 -159.323 -112.941 -126.897 -65.5545 -306.003 -49.2463 95.1937 PRESSAVG: 169800 60.2777 17.7768 5.67626 17.7768 45.5443 -13.9122 5.67637 -13.9122 -83.0266 GPRESSAVG: 169800 60.8455 16.1909 5.65333 19.1832 44.0957 -14.7744 4.46877 -12.5466 -82.1874 TIMING: 169800 CPU: 506.833, 0.00297369/step Wall: 506.833, 0.00297369/step, 3.98986 hours remaining, 205.066406 MB of memory in use. ENERGY: 169800 757.7173 2069.4446 1926.0191 111.9204 -205802.5731 17572.8120 0.0000 0.0000 34219.1469 -149145.5128 298.8443 -183364.6597 -149055.2931 299.9473 -125.8683 -93.3498 558705.3285 7.5985 7.5846 PRESSURE: 170000 -203.168 50.957 -61.9392 50.957 6.24303 -46.3098 -61.94 -46.3082 285.285 GPRESSURE: 170000 -158.75 65.8976 -68.8261 -22.0422 72.9978 -55.4257 -3.81932 -75.2069 278.937 PRESSAVG: 170000 -51.0232 38.6259 36.0895 38.626 11.2436 -2.3669 36.0895 -2.36691 21.789 GPRESSAVG: 170000 -50.0233 37.363 35.1885 36.5402 11.4753 -2.00321 38.1179 -2.29492 20.7127 TIMING: 170000 CPU: 507.438, 0.00302224/step Wall: 507.438, 0.00302224/step, 4.05483 hours remaining, 205.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 170000 740.5694 2066.3006 1927.4547 105.8968 -205828.1244 17804.8906 0.0000 0.0000 34035.3867 -149147.6256 297.2395 -183183.0122 -149061.4857 298.9696 29.4534 64.3949 557472.1433 -5.9969 -5.9451 PRESSURE: 170200 -165.02 -112.176 40.0218 -112.175 -55.5606 -136.299 40.0209 -136.299 -84.5528 GPRESSURE: 170200 -45.8106 -142.619 23.9475 -99.6898 -91.0264 -116.31 29.9384 -139.403 -69.3609 PRESSAVG: 170200 4.03571 -10.7389 -5.06227 -10.7387 -19.1546 2.23675 -5.06231 2.23681 -9.85582 GPRESSAVG: 170200 4.54593 -7.82806 -3.79546 -9.06279 -19.8331 2.58836 -7.71538 1.40447 -9.75311 TIMING: 170200 CPU: 508.035, 0.00298592/step Wall: 508.035, 0.00298592/step, 4.00595 hours remaining, 205.066406 MB of memory in use. ENERGY: 170200 765.1051 2073.9199 1945.0944 115.0812 -205821.8080 17675.7469 0.0000 0.0000 34087.9165 -149158.9439 297.6983 -183246.8604 -149067.3428 298.8274 -101.7111 -68.7327 558369.7269 -8.3249 -8.3468 PRESSURE: 170400 -243.473 126.535 -3.37888 126.534 -230.769 90.187 -3.37896 90.1879 -137.092 GPRESSURE: 170400 -184.666 132.211 -43.3115 117.224 -151.187 58.8068 -10.2422 67.2819 -179.189 PRESSAVG: 170400 -70.9852 -55.2377 0.889715 -55.2376 34.987 -7.65178 0.889771 -7.65165 34.8711 GPRESSAVG: 170400 -71.4508 -57.1303 -1.51803 -53.55 36.4719 -10.3061 4.39409 -6.00104 35.0225 TIMING: 170400 CPU: 508.63, 0.00297496/step Wall: 508.63, 0.00297496/step, 3.99107 hours remaining, 205.066406 MB of memory in use. ENERGY: 170400 743.9610 2078.6483 1928.3427 106.7157 -206122.1923 17658.5297 0.0000 0.0000 34196.6276 -149409.3672 298.6477 -183605.9949 -149306.3053 298.1415 -203.7780 -171.6808 558759.4055 -0.3757 0.0145 PRESSURE: 170600 107.727 -44.7643 230.03 -44.7648 103.846 -101.133 230.03 -101.132 140.391 GPRESSURE: 170600 131.004 -133.808 165.031 77.8374 126.62 -159.693 233.8 -161.614 190.161 PRESSAVG: 170600 52.8385 5.88547 -15.7968 5.88544 23.0547 -8.73567 -15.7969 -8.73583 -81.3717 GPRESSAVG: 170600 53.4402 8.39014 -16.488 2.20245 22.9022 -7.9082 -18.3948 -9.53891 -81.5515 TIMING: 170600 CPU: 509.226, 0.00297922/step Wall: 509.226, 0.00297922/step, 3.99662 hours remaining, 205.066406 MB of memory in use. ENERGY: 170600 721.3964 2096.6311 1945.8860 109.3199 -206063.5787 17831.6350 0.0000 0.0000 34133.3045 -149225.4058 298.0946 -183358.7103 -149127.8828 298.9176 117.3214 149.2618 557493.2346 -1.8262 -1.7363 PRESSURE: 170800 131.663 157.626 66.6698 157.626 -110.764 -44.4534 66.6686 -44.4538 32.0534 GPRESSURE: 170800 156.076 132.083 88.6814 155.224 -67.3263 99.7446 20.4948 -28.7788 69.7603 PRESSAVG: 170800 -15.6219 14.783 40.2291 14.7831 31.0321 -19.8438 40.2291 -19.8438 -6.43374 GPRESSAVG: 170800 -15.982 11.2437 42.7221 14.8546 31.4709 -16.6108 40.3851 -19.6244 -6.52927 TIMING: 170800 CPU: 509.826, 0.00299911/step Wall: 509.826, 0.00299911/step, 4.02314 hours remaining, 205.066406 MB of memory in use. ENERGY: 170800 749.9793 2049.1308 1929.3103 101.0920 -205909.8771 17749.3859 0.0000 0.0000 34234.6176 -149096.3613 298.9794 -183330.9789 -148999.8452 299.2570 17.6511 52.8366 558309.3591 2.9921 2.9866 PRESSURE: 171000 398.24 170.134 17.265 170.135 52.8869 -5.03011 17.2642 -5.03134 8.65163 GPRESSURE: 171000 410.321 127.129 55.7391 138.657 95.0157 20.9199 47.1046 -48.6386 49.537 PRESSAVG: 171000 54.5821 50.3894 54.5914 50.3893 -18.5591 -20.5784 54.5915 -20.5785 -11.221 GPRESSAVG: 171000 55.8167 52.0565 54.4365 52.6825 -19.5517 -21.9442 53.3622 -22.0498 -11.7813 TIMING: 171000 CPU: 510.428, 0.00301165/step Wall: 510.428, 0.00301165/step, 4.03979 hours remaining, 205.066406 MB of memory in use. ENERGY: 171000 761.6402 2114.5792 1891.3104 134.2318 -206216.2523 18027.5225 0.0000 0.0000 34143.5622 -149143.4061 298.1842 -183286.9683 -149052.5247 298.9058 153.2594 184.9579 558356.6383 8.2673 8.1613 PRESSURE: 171200 -197.941 -19.0099 70.5003 -19.0095 -27.0561 -141.612 70.5004 -141.612 -42.8385 GPRESSURE: 171200 -106.901 30.9248 47.1329 24.9003 -27.8739 -117.486 10.1536 -112.62 -38.9205 PRESSAVG: 171200 -20.0361 35.9305 7.74787 35.9304 38.3258 -7.87671 7.74788 -7.87662 -10.6366 GPRESSAVG: 171200 -20.47 36.9529 5.54307 35.6032 39.2512 -8.95405 9.89713 -7.37664 -11.4737 TIMING: 171200 CPU: 511.032, 0.00301757/step Wall: 511.032, 0.00301757/step, 4.04757 hours remaining, 205.066406 MB of memory in use. ENERGY: 171200 696.9393 2089.7924 1944.9069 123.4045 -206132.5719 17600.9667 0.0000 0.0000 34570.9866 -149105.5755 301.9170 -183676.5621 -149001.3812 299.1771 -89.2784 -57.8986 558842.8108 2.5510 2.4358 PRESSURE: 171400 111.142 134.069 119.848 134.07 -291.993 -117.347 119.849 -117.346 162.283 GPRESSURE: 171400 85.501 229.618 122.15 120.488 -238.125 -30.5602 55.5013 -184.297 217.907 PRESSAVG: 171400 -3.41414 -24.5859 45.6756 -24.5859 -18.0963 13.075 45.6756 13.0749 90.425 GPRESSAVG: 171400 -4.04403 -26.72 48.0812 -23.5908 -18.7059 13.4056 44.5895 13.1879 91.6358 TIMING: 171400 CPU: 511.633, 0.00300824/step Wall: 511.633, 0.00300824/step, 4.03489 hours remaining, 205.066406 MB of memory in use. ENERGY: 171400 742.5247 2080.5741 1959.7516 116.9413 -206009.7069 17735.6198 0.0000 0.0000 34345.0057 -149029.2898 299.9435 -183374.2955 -148935.0547 299.8428 -6.1895 21.7609 558150.7274 22.9715 22.9620 PRESSURE: 171600 -161.021 141.036 103.516 141.036 -184.655 72.1149 103.518 72.1161 217.879 GPRESSURE: 171600 -132.929 192.753 38.2304 83.0559 -103.705 156.776 201.999 37.9992 206.448 PRESSAVG: 171600 -41.1221 34.9645 -0.848185 34.9645 -9.59977 31.0835 -0.848142 31.0836 86.8893 GPRESSAVG: 171600 -40.7039 35.7134 -1.94516 33.7834 -9.14853 30.8948 0.47909 31.0683 86.0099 TIMING: 171600 CPU: 512.232, 0.00299511/step Wall: 512.232, 0.00299511/step, 4.0171 hours remaining, 205.066406 MB of memory in use. ENERGY: 171600 759.8853 2072.6465 1934.3192 105.9752 -206340.5694 17841.1228 0.0000 0.0000 34398.6027 -149228.0176 300.4116 -183626.6203 -149125.9229 300.0701 -42.5988 -10.0620 556665.6204 12.0558 12.0525 PRESSURE: 171800 31.4054 32.1113 146.99 32.1102 38.9181 -15.5481 146.99 -15.5461 -134.103 GPRESSURE: 171800 40.1709 -8.97251 164.443 117.007 70.7301 -45.2878 106.256 46.9556 -82.3876 PRESSAVG: 171800 10.7255 16.4236 33.733 16.4235 -29.2621 44.9011 33.733 44.9011 1.01763 GPRESSAVG: 171800 11.3106 16.4015 34.1183 16.7989 -30.4088 46.0051 32.5085 45.0258 1.80088 TIMING: 171800 CPU: 512.839, 0.00303201/step Wall: 512.839, 0.00303201/step, 4.06642 hours remaining, 205.066406 MB of memory in use. ENERGY: 171800 706.3276 2121.4687 1933.6707 113.8409 -206186.4908 17756.6469 0.0000 0.0000 34161.6244 -149392.9116 298.3420 -183554.5360 -149300.6844 300.0159 -21.2599 9.5044 558043.2967 -5.8397 -5.7658 PRESSURE: 172000 -350.959 120.777 -151.791 120.776 247.045 16.8209 -151.791 16.8213 -212.845 GPRESSURE: 172000 -238.595 101.932 -22.58 127.155 165.448 26.2393 -193.458 -44.3271 -158.316 PRESSAVG: 172000 -51.2485 52.0347 7.46567 52.0346 5.33369 -11.0107 7.46567 -11.0106 84.5455 GPRESSAVG: 172000 -52.0548 50.4441 7.57437 53.6756 5.19315 -10.7111 7.7429 -11.2174 84.9622 TIMING: 172000 CPU: 513.437, 0.00299039/step Wall: 513.437, 0.00299039/step, 4.01044 hours remaining, 205.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 172000 737.1704 2080.7347 1927.5789 119.9896 -206237.6078 17676.5994 0.0000 0.0000 34296.2906 -149399.2441 299.5180 -183695.5348 -149296.8491 298.8827 -105.5863 -77.1540 557701.3488 12.8769 12.7002 PRESSURE: 172200 -105.628 -4.23303 33.1874 -4.23295 -16.9327 -40.2556 33.1882 -40.2532 -3.5845 GPRESSURE: 172200 -125.731 -8.8707 70.8849 -19.4531 68.5341 -30.8752 -28.4022 -68.891 23.2889 PRESSAVG: 172200 -42.628 14.2339 -18.0784 14.2338 -28.2284 20.3942 -18.0784 20.3943 15.2682 GPRESSAVG: 172200 -42.9083 15.3415 -18.5437 12.5319 -27.4081 18.1235 -17.543 22.2583 14.8569 TIMING: 172200 CPU: 514.032, 0.00297833/step Wall: 514.032, 0.00297833/step, 3.9941 hours remaining, 205.066406 MB of memory in use. ENERGY: 172200 731.3743 2094.6708 1921.9367 114.5525 -206162.2588 17774.7935 0.0000 0.0000 34049.9530 -149474.9780 297.3667 -183524.9310 -149374.1552 298.4019 -42.0484 -11.3028 558167.1887 -18.5294 -18.4865 LDB: ============= START OF LOAD BALANCING ============== 517.579 LDB: ============== END OF LOAD BALANCING =============== 517.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 517.581 LDB: ============= START OF LOAD BALANCING ============== 517.88 LDB: Largest compute 4773 load 0.027414 is 23.2% of average load 0.117939 LDB: Average compute 0.001733 is 1.5% of average load 0.117939 LDB: TIME 517.882 LOAD: AVG 0.117939 MAX 0.21072 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.496 MB LDB: TIME 517.882 LOAD: AVG 0.117939 MAX 0.21072 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.5 MB LDB: TIME 517.882 LOAD: AVG 0.117939 MAX 0.21072 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.5 MB LDB: ============== END OF LOAD BALANCING =============== 517.884 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 517.888 PRESSURE: 172400 -33.5145 -92.2069 -69.6508 -92.2071 48.6088 86.5241 -69.6507 86.5265 56.4783 GPRESSURE: 172400 -19.4242 -73.4756 -36.2771 -102.949 121.294 180.183 21.0084 45.5495 74.5028 PRESSAVG: 172400 -15.4184 22.6888 -23.667 22.6888 -19.3775 33.3146 -23.667 33.3146 57.4637 GPRESSAVG: 172400 -14.3646 23.1 -24.0529 21.9133 -18.9752 34.9262 -24.5814 30.8297 55.8672 TIMING: 172400 CPU: 514.638, 0.0030305/step Wall: 514.638, 0.0030305/step, 4.0639 hours remaining, 205.109375 MB of memory in use. ENERGY: 172400 737.2403 2097.3459 1932.7550 110.6269 -206233.9946 17844.8196 0.0000 0.0000 34222.1117 -149289.0952 298.8702 -183511.2069 -149192.3224 298.2687 23.8575 58.7909 558318.4547 7.5559 7.5091 PRESSURE: 172600 -264.606 -59.5299 82.043 -59.5285 -62.5426 65.2126 82.0425 65.2127 27.3139 GPRESSURE: 172600 -236.515 -96.7049 142.593 -23.3687 9.98693 106.629 75.4107 136.499 17.1481 PRESSAVG: 172600 -68.6262 -25.4307 28.8194 -25.4306 14.8777 32.0512 28.8194 32.0512 51.9998 GPRESSAVG: 172600 -69.5383 -25.1515 28.254 -21.2779 15.4529 33.3258 30.3778 31.0661 52.9181 TIMING: 172600 CPU: 515.232, 0.0029682/step Wall: 515.232, 0.0029682/step, 3.98019 hours remaining, 205.367188 MB of memory in use. ENERGY: 172600 769.9211 2117.4944 1929.7473 99.1396 -206352.1221 17750.6487 0.0000 0.0000 34498.3540 -149186.8170 301.2827 -183685.1710 -149090.7010 299.1431 -99.9450 -69.7932 557184.2575 -0.5829 -0.3891 PRESSURE: 172800 -179.836 113.298 -127.645 113.298 -28.9116 3.76201 -127.645 3.76133 39.4235 GPRESSURE: 172800 -95.7021 132.673 -42.7732 59.262 -27.3053 66.2955 -194.903 37.0474 45.0315 PRESSAVG: 172800 -41.0067 -2.5524 57.5165 -2.55236 27.2298 -13.844 57.5165 -13.8439 22.9776 GPRESSAVG: 172800 -40.5334 -2.81972 59.8199 -5.97102 26.0637 -16.2836 57.0827 -12.2983 23.1174 TIMING: 172800 CPU: 515.831, 0.00299431/step Wall: 515.831, 0.00299431/step, 4.01504 hours remaining, 205.367188 MB of memory in use. ENERGY: 172800 802.1644 2105.8958 1903.2640 107.0681 -206088.1910 17832.5676 0.0000 0.0000 34120.3207 -149216.9103 297.9812 -183337.2310 -149123.0597 299.0511 -56.4415 -25.9920 557986.0892 3.0669 2.8826 PRESSURE: 173000 -98.215 94.7116 11.1271 94.7121 -82.4446 -72.9197 11.127 -72.9195 116.172 GPRESSURE: 173000 -85.9808 123.206 54.3454 83.4319 -49.5373 -57.4612 -89.4206 -87.9552 155.522 PRESSAVG: 173000 -43.2877 15.9553 -35.1931 15.9554 41.2426 -9.76553 -35.1931 -9.76557 44.05 GPRESSAVG: 173000 -43.4412 17.5174 -38.0589 14.1253 42.2562 -8.89227 -34.0944 -8.76494 43.37 TIMING: 173000 CPU: 516.433, 0.00301273/step Wall: 516.433, 0.00301273/step, 4.03957 hours remaining, 205.367188 MB of memory in use. ENERGY: 173000 740.0104 2069.3690 1918.2348 121.2663 -206367.5725 17914.9103 0.0000 0.0000 34460.7086 -149143.0730 300.9539 -183603.7816 -149046.3450 299.1976 -21.4957 6.6679 557159.6884 14.0017 14.0617 PRESSURE: 173200 -83.1061 9.48952 -85.4434 9.48999 -285.612 13.702 -85.4421 13.7028 -150.623 GPRESSURE: 173200 -67.2657 -92.9543 -95.8872 54.8909 -244.696 -126.718 -117.294 99.6579 -106.143 PRESSAVG: 173200 -33.5906 14.6568 -21.9791 14.6568 -11.3617 -41.6218 -21.9792 -41.6218 50.9919 GPRESSAVG: 173200 -34.0668 13.8677 -20.673 14.2339 -9.71796 -43.6073 -21.3596 -41.7879 49.6739 TIMING: 173200 CPU: 517.029, 0.00297747/step Wall: 517.029, 0.00297747/step, 3.99213 hours remaining, 205.367188 MB of memory in use. ENERGY: 173200 753.2537 2075.4266 1934.6026 100.2082 -205916.7511 17748.5564 0.0000 0.0000 34217.7844 -149086.9192 298.8324 -183304.7036 -148998.8087 299.2823 -173.1136 -139.3683 558553.7187 2.0132 1.9630 PRESSURE: 173400 -226.641 -2.33075 -92.3471 -2.33025 -71.0845 84.2156 -92.3476 84.2155 -338.751 GPRESSURE: 173400 -199.597 -3.18873 -176.674 38.9706 -2.35286 63.5428 -28.045 88.3596 -340.582 PRESSAVG: 173400 -59.3927 -21.3609 -40.9621 -21.3608 35.0891 28.3085 -40.9621 28.3085 23.0461 GPRESSAVG: 173400 -59.726 -22.1882 -42.3678 -20.223 33.5206 31.9166 -42.0109 28.0099 24.6555 TIMING: 173400 CPU: 517.627, 0.00298904/step Wall: 517.627, 0.00298904/step, 4.00748 hours remaining, 205.367188 MB of memory in use. ENERGY: 173400 767.2304 2148.2228 1935.2722 120.1360 -205948.3648 17551.0342 0.0000 0.0000 34470.0930 -148956.3763 301.0359 -183426.4693 -148860.6314 300.3588 -212.1591 -180.8439 557917.6365 -0.4191 -0.5167 PRESSURE: 173600 -303.847 228.345 -108.791 228.345 -20.5704 -54.0537 -108.79 -54.0538 -132.038 GPRESSURE: 173600 -294.935 189.175 -161.563 206.918 0.715541 -12.8891 -64.5033 -103.17 -77.6458 PRESSAVG: 173600 -19.7715 26.3548 -44.1718 26.3548 71.5666 59.757 -44.1719 59.7569 -35.1021 GPRESSAVG: 173600 -20.5071 25.9586 -42.5525 27.2803 71.2727 57.335 -45.1394 60.4915 -33.8253 TIMING: 173600 CPU: 518.218, 0.00295731/step Wall: 518.218, 0.00295731/step, 3.96477 hours remaining, 205.367188 MB of memory in use. ENERGY: 173600 718.4375 2058.8072 1955.8310 127.1867 -205790.1153 17633.0094 0.0000 0.0000 34139.4393 -149157.4042 298.1482 -183296.8435 -149064.4914 299.5102 -152.1517 -123.9551 558747.9027 5.5643 5.6468 PRESSURE: 173800 -48.7594 55.416 -70.4778 55.416 -70.9671 -62.7106 -70.4758 -62.7109 -188.009 GPRESSURE: 173800 -58.0444 76.4277 -47.6079 61.0655 -21.7001 -127.312 -131.724 -10.2694 -143.961 PRESSAVG: 173800 -4.60104 50.183 -6.86033 50.183 33.7816 -17.233 -6.86032 -17.233 2.98658 GPRESSAVG: 173800 -4.03231 50.1844 -7.30967 50.3493 33.3399 -16.5134 -7.54794 -17.2423 2.52439 TIMING: 173800 CPU: 518.813, 0.00297589/step Wall: 518.813, 0.00297589/step, 3.98952 hours remaining, 205.367188 MB of memory in use. ENERGY: 173800 806.6265 2043.5507 1932.7759 120.0302 -206018.3703 17784.4338 0.0000 0.0000 34071.4371 -149259.5162 297.5543 -183330.9533 -149161.5149 299.7771 -102.5786 -74.5686 559896.3440 10.7224 10.6106 PRESSURE: 174000 36.9436 192.723 30.8679 192.725 -108.6 40.6135 30.869 40.6128 -241.049 GPRESSURE: 174000 38.7578 113.908 -6.10411 128.591 -123.527 53.5313 94.4446 104.455 -134.247 PRESSAVG: 174000 9.76031 16.7368 -26.228 16.7369 60.9211 47.301 -26.228 47.301 -87.5408 GPRESSAVG: 174000 9.45726 16.2902 -27.1635 18.3074 60.8001 49.24 -24.4665 45.7527 -87.1005 TIMING: 174000 CPU: 519.412, 0.00299089/step Wall: 519.412, 0.00299089/step, 4.00945 hours remaining, 205.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 174000 791.6001 2102.0921 1932.0549 112.4857 -206461.0380 17831.7837 0.0000 0.0000 34248.2335 -149442.7880 299.0983 -183691.0215 -149341.3432 298.9558 -104.2349 -73.0055 557491.8428 -5.6198 -5.6144 PRESSURE: 174200 -148.461 191.281 -52.238 191.282 52.7718 69.9388 -52.2375 69.9384 -44.2062 GPRESSURE: 174200 -29.1042 211.701 18.4098 168.484 45.5424 68.8487 -87.1442 140.437 -54.919 PRESSAVG: 174200 -16.2395 1.18164 -13.9946 1.18162 49.1654 -31.1311 -13.9946 -31.1311 16.8861 GPRESSAVG: 174200 -17.0546 1.84252 -12.4324 0.0899918 50.2221 -31.7258 -14.1804 -31.8037 16.6608 TIMING: 174200 CPU: 520.011, 0.00299455/step Wall: 520.011, 0.00299455/step, 4.0142 hours remaining, 205.433594 MB of memory in use. ENERGY: 174200 793.0114 2063.9663 1930.9183 123.2352 -206607.1448 17937.5228 0.0000 0.0000 34330.4338 -149428.0570 299.8162 -183758.4908 -149328.2311 299.0071 -46.6319 -12.8269 558187.7279 16.6040 16.6094 PRESSURE: 174400 -203.223 95.9247 -48.0192 95.9248 134.889 83.3938 -48.0181 83.3931 11.7824 GPRESSURE: 174400 -142.32 80.2747 0.835448 108.849 160.779 111.454 -46.1216 105.044 7.32789 PRESSAVG: 174400 -41.1063 16.1489 6.27429 16.149 49.364 -1.58578 6.27437 -1.58562 11.6249 GPRESSAVG: 174400 -39.6847 16.5694 4.67419 16.3353 49.0566 -3.58613 4.9376 -0.114874 10.0623 TIMING: 174400 CPU: 520.605, 0.00297024/step Wall: 520.605, 0.00297024/step, 3.98144 hours remaining, 205.433594 MB of memory in use. ENERGY: 174400 759.6666 2113.2819 1899.1221 108.4760 -206652.7579 18079.4427 0.0000 0.0000 34184.5584 -149508.2101 298.5423 -183692.7685 -149410.2793 299.1754 -18.8506 8.5954 557629.9035 6.6275 6.4780 PRESSURE: 174600 -361.225 0.931363 -33.5246 0.932209 -171.523 -163.636 -33.5254 -163.636 -136.455 GPRESSURE: 174600 -403.619 1.47162 -30.77 48.9004 -66.1695 -185.817 -4.54219 -116.321 -114.469 PRESSAVG: 174600 -17.9515 23.1977 5.27916 23.1976 70.2054 -19.4661 5.2791 -19.4661 -38.5595 GPRESSAVG: 174600 -18.9558 23.2661 5.51123 22.6149 70.1581 -19.8207 7.58334 -19.1644 -37.3531 TIMING: 174600 CPU: 521.2, 0.00297792/step Wall: 521.2, 0.00297792/step, 3.99157 hours remaining, 205.433594 MB of memory in use. ENERGY: 174600 734.9720 2066.6685 1929.8374 114.4064 -206214.4164 17612.1079 0.0000 0.0000 34277.9651 -149478.4593 299.3580 -183756.4243 -149380.0318 299.3508 -223.0674 -194.7527 558227.3772 4.5648 4.6164 PRESSURE: 174800 109.857 -115.245 77.4559 -115.245 6.39453 -76.6089 77.4551 -76.6095 13.0432 GPRESSURE: 174800 77.1247 -197.023 101.508 -6.34244 68.3773 -56.8502 115.712 -93.589 81.8433 PRESSAVG: 174800 -81.7771 -47.7977 -27.8791 -47.7977 35.6941 -45.7778 -27.8791 -45.7778 41.825 GPRESSAVG: 174800 -81.9655 -49.9692 -28.7659 -45.5448 36.9246 -45.2276 -28.3456 -46.0005 41.4269 TIMING: 174800 CPU: 521.79, 0.00294956/step Wall: 521.79, 0.00294956/step, 3.9534 hours remaining, 205.433594 MB of memory in use. ENERGY: 174800 727.9366 2082.9620 1938.8039 108.4533 -206374.1543 17884.5806 0.0000 0.0000 34309.4819 -149321.9360 299.6332 -183631.4179 -149236.1547 299.0164 43.0981 75.7818 557209.4301 -1.4193 -1.2047 PRESSURE: 175000 149.931 119.396 -26.0143 119.397 19.1397 12.3648 -26.0129 12.3629 -169.894 GPRESSURE: 175000 153.556 52.3959 -72.8957 69.4137 21.0596 -79.4858 -24.8968 0.640489 -75.1594 PRESSAVG: 175000 35.7751 8.01117 -63.2409 8.01116 -0.995665 31.6445 -63.2408 31.6446 -47.1492 GPRESSAVG: 175000 36.7905 9.33535 -62.4353 7.06628 -2.84854 32.2974 -64.9911 31.3419 -45.8539 TIMING: 175000 CPU: 522.383, 0.002966/step Wall: 522.383, 0.002966/step, 3.97527 hours remaining, 205.433594 MB of memory in use. ENERGY: 175000 707.7610 2050.7226 1931.4528 99.9018 -206348.6160 17939.5007 0.0000 0.0000 34128.4723 -149490.8048 298.0524 -183619.2771 -149394.2100 298.8285 -0.2745 33.1520 558604.5281 -4.1233 -3.9706 PRESSURE: 175200 -56.3485 77.1828 -91.6109 77.1831 -35.3597 8.90377 -91.6108 8.90359 169.883 GPRESSURE: 175200 -26.9839 80.4324 -125.847 67.9185 -1.04924 -28.9093 -10.363 10.0358 191.517 PRESSAVG: 175200 30.2769 27.5569 -35.2368 27.5569 -25.721 -29.1392 -35.2368 -29.1392 26.4867 GPRESSAVG: 175200 29.685 27.8144 -35.6945 26.9385 -24.0349 -28.5158 -33.7788 -29.9484 25.231 TIMING: 175200 CPU: 522.979, 0.00298022/step Wall: 522.979, 0.00298022/step, 3.99416 hours remaining, 205.433594 MB of memory in use. ENERGY: 175200 733.1789 2040.0928 1901.1791 98.6083 -206101.8202 17860.2260 0.0000 0.0000 33981.6123 -149486.9228 296.7699 -183468.5350 -149381.3466 298.9908 26.0582 54.4947 557871.8703 10.3475 10.2937 PRESSURE: 175400 -296.493 88.72 -81.1121 88.7195 -144.61 -34.4234 -81.113 -34.4229 120.087 GPRESSURE: 175400 -285.783 71.5134 -46.7583 93.5819 -112.079 -13.644 -41.4032 -60.0573 175.891 PRESSAVG: 175400 -56.8436 13.2832 5.47535 13.2832 17.8289 49.3206 5.47524 49.3207 15.1849 GPRESSAVG: 175400 -56.6492 12.4024 5.36971 13.5855 18.0232 49.8041 3.05281 48.3124 15.313 TIMING: 175400 CPU: 523.578, 0.00299141/step Wall: 523.578, 0.0029914/step, 4.00898 hours remaining, 205.437500 MB of memory in use. ENERGY: 175400 731.9476 2101.7598 1948.7220 117.3841 -206166.7325 17774.8456 0.0000 0.0000 34058.1774 -149433.8959 297.4385 -183492.0734 -149336.9057 298.5246 -107.0053 -73.9904 558278.5535 -7.9433 -7.7710 PRESSURE: 175600 -62.9796 32.7876 -54.5448 32.7888 125.694 34.0698 -54.5451 34.0706 44.0292 GPRESSURE: 175600 -8.90833 -14.9597 -113.387 79.2567 218.331 18.8473 -37.9001 39.9284 -11.8597 PRESSAVG: 175600 -15.3695 19.9444 0.895539 19.9444 40.2312 -28.092 0.895473 -28.092 -52.5885 GPRESSAVG: 175600 -15.7503 20.3165 2.97218 18.6715 40.1417 -29.5206 1.82403 -27.8574 -51.9356 TIMING: 175600 CPU: 524.18, 0.00301309/step Wall: 524.18, 0.00301309/step, 4.03787 hours remaining, 205.437500 MB of memory in use. ENERGY: 175600 770.0347 2087.2445 1940.9714 107.8481 -206800.0704 18154.1191 0.0000 0.0000 34250.8044 -149489.0482 299.1208 -183739.8526 -149396.2268 299.2028 35.5812 65.8543 556799.6709 -9.2423 -9.1814 PRESSURE: 175800 301.161 -99.0557 99.3366 -99.0555 92.5964 -46.0725 99.3364 -46.074 -119.049 GPRESSURE: 175800 355.828 -80.8858 137.276 -72.7002 66.531 -39.9676 124.996 -26.1562 -43.1023 PRESSAVG: 175800 7.38341 22.6891 33.7679 22.689 -15.0823 -9.53381 33.7679 -9.53385 15.96 GPRESSAVG: 175800 7.85039 23.8524 32.9923 22.3585 -15.4265 -8.65747 34.3861 -8.17907 14.9389 TIMING: 175800 CPU: 524.782, 0.0030112/step Wall: 524.782, 0.0030112/step, 4.03518 hours remaining, 205.437500 MB of memory in use. ENERGY: 175800 736.4377 2042.8523 1943.9876 101.1253 -206321.2420 17980.4843 0.0000 0.0000 34017.8225 -149498.5323 297.0861 -183516.3548 -149403.0657 298.5351 91.5694 126.4188 557733.1959 2.7537 2.4542 PRESSURE: 176000 -93.7328 77.1275 61.0159 77.1269 -18.9393 231.536 61.0154 231.536 -0.00990465 GPRESSURE: 176000 -41.4879 45.8432 91.5499 98.1558 17.5613 248.013 -0.875718 222.717 11.7571 PRESSAVG: 176000 -30.0856 -4.08777 -7.73255 -4.08772 50.2077 -37.6475 -7.73258 -37.6474 -24.7852 GPRESSAVG: 176000 -29.6028 -4.60409 -6.62852 -2.82162 49.53 -40.1997 -7.03812 -35.9949 -24.3982 TIMING: 176000 CPU: 525.374, 0.00295905/step Wall: 525.374, 0.00295905/step, 3.96512 hours remaining, 205.437500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 176000 712.4467 2082.8202 1939.9076 103.5465 -206269.9813 17895.5928 0.0000 0.0000 34168.3912 -149367.2762 298.4011 -183535.6673 -149267.4870 298.0628 -37.5607 -4.0565 556899.8437 -1.5544 -1.4904 PRESSURE: 176200 10.2466 41.121 156.463 41.121 -36.4229 95.8448 156.462 95.8454 121.23 GPRESSURE: 176200 39.8406 102.223 171.688 -14.5888 9.24416 89.9401 80.4272 127.325 139.379 PRESSAVG: 176200 15.2391 14.9327 -20.1595 14.9327 3.475 22.217 -20.1595 22.2171 -23.4587 GPRESSAVG: 176200 15.3574 16.7559 -19.7117 11.9334 3.60257 23.1635 -21.4136 20.0678 -23.1841 TIMING: 176200 CPU: 525.97, 0.0029791/step Wall: 525.97, 0.0029791/step, 3.99183 hours remaining, 205.437500 MB of memory in use. ENERGY: 176200 770.8367 2114.3720 1894.8536 102.5484 -206256.6569 17803.5315 0.0000 0.0000 34274.6428 -149295.8718 299.3290 -183570.5146 -149207.3809 298.8244 31.6845 62.8213 556432.9422 -1.5815 -1.4080 LDB: ============= START OF LOAD BALANCING ============== 529.521 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 529.521 LDB: =============== DONE WITH MIGRATION ================ 529.522 LDB: ============= START OF LOAD BALANCING ============== 529.823 LDB: Largest compute 4795 load 0.027491 is 23.3% of average load 0.118072 LDB: Average compute 0.001730 is 1.5% of average load 0.118072 LDB: TIME 529.825 LOAD: AVG 0.118072 MAX 0.209808 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.207 MB LDB: TIME 529.826 LOAD: AVG 0.118072 MAX 0.209808 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.449 MB LDB: TIME 529.826 LOAD: AVG 0.118072 MAX 0.209808 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.449 MB LDB: ============== END OF LOAD BALANCING =============== 529.827 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 529.832 PRESSURE: 176400 -320.672 -95.7582 36.3442 -95.7578 -349.262 43.1823 36.3452 43.182 -57.5256 GPRESSURE: 176400 -236.116 -82.0451 68.3786 -68.1937 -380.603 4.19605 22.7943 63.0332 -17.6835 PRESSAVG: 176400 -32.4345 5.92255 -1.57237 5.92253 22.4027 61.3875 -1.57228 61.3874 -8.05128 GPRESSAVG: 176400 -32.9072 5.4425 -3.94895 7.26016 23.5884 63.3822 -1.52439 61.103 -8.54167 TIMING: 176400 CPU: 526.582, 0.00305813/step Wall: 526.582, 0.00305813/step, 4.09755 hours remaining, 205.894531 MB of memory in use. ENERGY: 176400 733.6456 2094.0184 1917.2774 112.0303 -205383.6525 17335.1892 0.0000 0.0000 34057.8023 -149133.6892 297.4353 -183191.4915 -149038.9867 298.9671 -242.4865 -211.4677 558399.2262 -6.0277 -5.9535 PRESSURE: 176600 31.8378 32.9593 -226.371 32.9586 79.3952 -20.4932 -226.372 -20.4943 137.939 GPRESSURE: 176600 69.2435 68.5158 -261.235 -23.4638 163.447 -37.4186 -174.613 -38.0395 110.566 PRESSAVG: 176600 -52.2147 -29.5856 -44.1005 -29.5855 64.7505 -6.58014 -44.1005 -6.58021 -28.3368 GPRESSAVG: 176600 -51.1648 -30.2361 -44.6513 -30.1346 63.5227 -7.65672 -43.493 -7.11819 -27.8703 TIMING: 176600 CPU: 527.177, 0.0029774/step Wall: 527.177, 0.0029774/step, 3.98922 hours remaining, 205.894531 MB of memory in use. ENERGY: 176600 736.0032 2081.5513 1940.4003 112.7422 -206367.7134 17995.1925 0.0000 0.0000 34387.0947 -149114.7291 300.3111 -183501.8238 -149010.6960 299.8320 83.0572 114.4187 557249.3053 -5.2670 -5.1708 PRESSURE: 176800 78.3841 96.5197 94.3047 96.5198 138.031 -9.5378 94.3058 -9.53858 150.136 GPRESSURE: 176800 84.2909 106.017 89.6034 125.341 164.868 -20.3818 48.7812 58.7046 207.759 PRESSAVG: 176800 -61.8017 17.9056 -33.2709 17.9057 13.1093 -2.80695 -33.2708 -2.8071 15.6185 GPRESSAVG: 176800 -62.7959 17.7125 -33.3136 18.2705 13.7276 -3.33018 -32.8156 -1.5107 15.9181 TIMING: 176800 CPU: 527.775, 0.00298875/step Wall: 527.775, 0.00298875/step, 4.00426 hours remaining, 205.894531 MB of memory in use. ENERGY: 176800 715.0862 2123.1880 1964.7076 103.8982 -206091.3224 17883.3822 0.0000 0.0000 34267.0888 -149033.9713 299.2630 -183301.0601 -148935.9853 299.9069 122.1835 152.3059 557244.5882 -11.0246 -11.0501 PRESSURE: 177000 145.976 -3.34425 100.311 -3.34395 21.7464 30.0617 100.312 30.0642 -452.775 GPRESSURE: 177000 169.727 61.9376 132.524 -62.9951 36.7775 -5.70351 76.188 43.294 -373.587 PRESSAVG: 177000 -51.5962 -9.62124 23.3978 -9.62125 75.5874 -52.8007 23.3978 -52.8006 -12.7595 GPRESSAVG: 177000 -51.3619 -8.14432 23.4661 -10.2238 75.5163 -50.3994 23.3531 -55.8877 -12.9119 TIMING: 177000 CPU: 528.371, 0.00297956/step Wall: 528.371, 0.00297956/step, 3.99179 hours remaining, 205.894531 MB of memory in use. ENERGY: 177000 788.2352 2097.4214 1944.5046 104.8709 -206131.9224 17713.5220 0.0000 0.0000 34593.9109 -148889.4574 302.1172 -183483.3683 -148799.0899 300.3596 -95.0175 -55.6941 557585.7087 3.7439 3.7475 PRESSURE: 177200 -69.6537 -21.0036 51.8475 -21.0046 78.8073 21.0141 51.8488 21.0159 -215.804 GPRESSURE: 177200 5.3466 57.8625 -16.4146 -64.5261 41.9838 -24.5554 93.5168 49.5911 -164.664 PRESSAVG: 177200 38.5449 49.4432 7.81851 49.4433 13.1124 -54.3608 7.81851 -54.3609 -42.1738 GPRESSAVG: 177200 38.8655 48.4697 8.6866 50.3989 12.3616 -54.4955 7.93208 -53.5766 -42.0816 TIMING: 177200 CPU: 528.973, 0.00300893/step Wall: 528.973, 0.00300893/step, 4.03096 hours remaining, 205.894531 MB of memory in use. ENERGY: 177200 721.8126 2074.1984 1933.1795 125.1622 -205453.9483 17493.9026 0.0000 0.0000 34373.0724 -148732.6207 300.1886 -183105.6931 -148637.5199 299.9248 -68.8834 -39.1110 558804.4204 3.1611 3.0485 PRESSURE: 177400 114.058 -135.338 -0.328078 -135.339 -108.054 -155.821 -0.326303 -155.821 -29.5037 GPRESSURE: 177400 71.3548 -168.745 54.9913 -113.423 7.24462 -198.004 -8.84413 -55.8873 -5.50341 PRESSAVG: 177400 27.7419 -0.582946 4.30869 -0.582915 11.8884 4.94716 4.30863 4.94712 -33.0012 GPRESSAVG: 177400 28.1508 -0.405018 4.23686 -1.59318 13.3144 3.74481 3.83595 3.44662 -34.1577 TIMING: 177400 CPU: 529.573, 0.00300149/step Wall: 529.573, 0.00300149/step, 4.02083 hours remaining, 205.894531 MB of memory in use. ENERGY: 177400 727.7731 2118.6759 1916.5019 106.1026 -205838.6972 17792.1108 0.0000 0.0000 34420.1127 -148757.4201 300.5994 -183177.5327 -148657.9886 300.8754 -7.8333 24.3653 558857.4124 2.2097 2.4358 PRESSURE: 177600 -204.747 5.01597 -12.3982 5.01619 -122.879 176.631 -12.3984 176.632 -216.811 GPRESSURE: 177600 -153.454 31.6873 -82.1745 72.4437 -100.262 70.3618 7.66245 219.936 -190.055 PRESSAVG: 177600 41.8347 -31.8271 53.3946 -31.8271 -54.9527 5.30788 53.3946 5.3079 5.99385 GPRESSAVG: 177600 41.0708 -31.6788 54.7133 -31.6647 -55.3578 6.9473 54.3263 6.6665 7.16761 TIMING: 177600 CPU: 530.176, 0.0030147/step Wall: 530.176, 0.0030147/step, 4.03836 hours remaining, 205.894531 MB of memory in use. ENERGY: 177600 750.8734 2091.1144 1944.9120 99.9323 -205573.5548 17484.9938 0.0000 0.0000 34419.9592 -148781.7697 300.5981 -183201.7289 -148686.2995 300.2162 -181.4790 -147.9237 559134.9794 -2.3747 -2.3731 PRESSURE: 177800 190.008 12.3093 26.7017 12.3106 -261.096 -18.313 26.7014 -18.3127 -104.78 GPRESSURE: 177800 244.181 -17.9364 18.1817 4.76593 -218.054 28.7835 81.6858 -91.1684 -100.95 PRESSAVG: 177800 -16.9398 -33.5268 21.3942 -33.5269 2.01748 -6.44653 21.3943 -6.44653 -12.9135 GPRESSAVG: 177800 -17.4629 -34.5081 20.2252 -32.1781 3.34314 -6.25638 21.4836 -7.34842 -13.976 TIMING: 177800 CPU: 530.777, 0.00300601/step Wall: 530.777, 0.00300601/step, 4.02655 hours remaining, 205.894531 MB of memory in use. ENERGY: 177800 743.5102 2102.2860 1950.2178 117.7906 -206053.6664 17886.0651 0.0000 0.0000 34459.6696 -148794.1270 300.9449 -183253.7966 -148706.4124 300.2973 -58.6226 -24.9406 559375.4634 -9.2786 -9.3653 PRESSURE: 178000 -131.863 -23.3609 -124.308 -23.3604 118.138 52.8492 -124.307 52.8486 14.9462 GPRESSURE: 178000 -24.4179 -45.9589 -9.8278 -10.8797 148.855 63.9625 -170.611 12.0288 -31.7858 PRESSAVG: 178000 -27.9892 -35.2525 -44.2897 -35.2526 60.6777 28.5695 -44.2896 28.5695 -13.6898 GPRESSAVG: 178000 -27.6238 -34.4454 -44.9611 -36.3927 60.5495 26.6936 -44.6305 30.9759 -13.648 TIMING: 178000 CPU: 531.372, 0.00297238/step Wall: 531.372, 0.00297238/step, 3.98134 hours remaining, 205.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 178000 770.9257 2126.1338 1917.1005 110.4787 -206036.8320 17921.4210 0.0000 0.0000 34512.6466 -148678.1257 301.4075 -183190.7723 -148592.7156 300.3190 0.4069 30.8838 559369.5581 6.3329 6.4259 PRESSURE: 178200 5.92438 37.357 90.0511 37.3569 77.2468 -179.813 90.0508 -179.813 306.528 GPRESSURE: 178200 34.6161 103.699 62.8911 -12.6921 139.977 -164.062 -10.6103 -211.376 304.773 PRESSAVG: 178200 -11.6476 35.1277 7.9627 35.1276 12.068 -21.3085 7.96264 -21.3086 -65.9136 GPRESSAVG: 178200 -11.8141 36.4055 9.22181 34.3253 11.3329 -20.4519 8.03574 -22.0241 -64.8957 TIMING: 178200 CPU: 531.967, 0.00297933/step Wall: 531.967, 0.00297933/step, 3.99048 hours remaining, 205.894531 MB of memory in use. ENERGY: 178200 742.4371 2082.2121 1916.0380 127.9203 -206280.6726 17978.1471 0.0000 0.0000 34442.7543 -148991.1636 300.7971 -183433.9179 -148899.8809 300.0084 129.8996 159.7888 558163.8894 -21.8311 -21.7923 PRESSURE: 178400 -201.875 -0.060398 -21.5012 -0.0588074 -10.3323 -129.432 -21.5016 -129.431 21.0133 GPRESSURE: 178400 -156.633 29.0792 -47.487 80.3991 -1.07265 -121.183 -24.4662 -148.069 61.4971 PRESSAVG: 178400 -47.5338 25.6812 -0.744642 25.6811 30.3394 -8.43327 -0.744556 -8.43321 6.15725 GPRESSAVG: 178400 -47.883 25.3493 -1.48261 27.8407 29.9266 -7.83403 -0.863895 -10.7623 6.60464 TIMING: 178400 CPU: 532.563, 0.00297816/step Wall: 532.563, 0.00297816/step, 3.98874 hours remaining, 205.894531 MB of memory in use. ENERGY: 178400 744.9782 2062.5721 1922.0635 109.6905 -206009.4577 17661.2367 0.0000 0.0000 34323.5261 -149185.3907 299.7559 -183508.9168 -149087.8687 299.4756 -63.7314 -32.0696 558193.1820 -3.6790 -3.7839 PRESSURE: 178600 8.49793 46.1404 -66.6476 46.1392 -70.2386 -171.313 -66.648 -171.315 332.554 GPRESSURE: 178600 91.6173 54.1459 -5.46175 69.5027 -50.1724 -130.092 -143.325 -175.774 331.772 PRESSAVG: 178600 -3.5666 40.2011 -2.06051 40.201 13.665 -52.6381 -2.06055 -52.6381 -59.0898 GPRESSAVG: 178600 -2.09484 39.7335 -1.0786 39.8786 13.383 -55.731 -2.72544 -48.5501 -60.5827 TIMING: 178600 CPU: 533.161, 0.00299118/step Wall: 533.161, 0.00299118/step, 4.00602 hours remaining, 205.894531 MB of memory in use. ENERGY: 178600 727.6226 2074.4605 1928.1300 120.0443 -206395.4044 18165.1588 0.0000 0.0000 34128.4031 -149251.5851 298.0518 -183379.9882 -149154.3979 299.1361 90.2712 124.4056 558663.4507 -16.3305 -16.4315 PRESSURE: 178800 66.6508 -180.528 79.1506 -180.527 -84.092 35.3441 79.1511 35.3446 -130.037 GPRESSURE: 178800 43.8497 -130.431 162.599 -186.544 19.2253 17.4676 -17.0078 60.5719 -114.194 PRESSAVG: 178800 -10.8875 72.2565 26.8012 72.2566 -54.6111 -39.3838 26.8014 -39.3838 17.8835 GPRESSAVG: 178800 -11.5823 70.7905 27.6347 73.6935 -54.0206 -36.6685 25.0809 -43.4538 18.0153 TIMING: 178800 CPU: 533.757, 0.0029794/step Wall: 533.757, 0.0029794/step, 3.99007 hours remaining, 205.894531 MB of memory in use. ENERGY: 178800 764.7274 2051.1972 1934.2955 116.2826 -206348.4216 17836.3660 0.0000 0.0000 34464.4971 -149181.0557 300.9870 -183645.5528 -149068.9278 299.1940 -49.1594 -17.0396 557878.6615 -15.8717 -15.8625 PRESSURE: 179000 -329.253 25.5048 65.0306 25.506 -213.336 -119.782 65.0317 -119.781 -211.957 GPRESSURE: 179000 -330.249 17.839 88.6085 -27.9694 -178.237 -185.335 39.6387 -103.951 -158.66 PRESSAVG: 179000 8.71149 8.10957 40.539 8.10958 -18.0171 -46.0266 40.539 -46.0267 12.7405 GPRESSAVG: 179000 8.21581 9.67485 40.5988 7.63557 -18.7498 -46.0339 41.0626 -45.472 14.0232 TIMING: 179000 CPU: 534.354, 0.00298509/step Wall: 534.354, 0.00298509/step, 3.99754 hours remaining, 205.894531 MB of memory in use. ENERGY: 179000 744.6521 2079.9621 1921.9605 107.8385 -206081.7934 17481.8823 0.0000 0.0000 34381.2209 -149364.2769 300.2598 -183745.4978 -149260.4351 299.4730 -251.5151 -222.3821 557798.8154 1.1449 1.1631 PRESSURE: 179200 -158.82 165.058 -65.2927 165.058 157.728 78.228 -65.2914 78.2277 95.29 GPRESSURE: 179200 -113.473 128.069 -96.3006 201.194 215.068 73.8464 -31.0122 45.0624 90.0988 PRESSAVG: 179200 -64.8985 -6.78511 -11.0884 -6.78512 -1.35591 -9.40118 -11.0885 -9.40118 93.4756 GPRESSAVG: 179200 -64.1166 -5.5861 -12.0405 -9.02044 -1.02606 -8.2925 -9.82079 -8.21036 92.3583 TIMING: 179200 CPU: 534.953, 0.00299565/step Wall: 534.953, 0.00299565/step, 4.0115 hours remaining, 205.894531 MB of memory in use. ENERGY: 179200 758.0149 2071.7351 1906.6459 114.0737 -206057.3428 17802.0362 0.0000 0.0000 34089.1016 -149315.7354 297.7086 -183404.8370 -149219.0092 298.5765 31.3994 63.8981 558695.1900 9.0737 9.0719 PRESSURE: 179400 -188.937 -52.2889 -68.004 -52.2906 -160.502 -1.17075 -68.0041 -1.17127 174.214 GPRESSURE: 179400 -235.217 -5.33749 -21.9149 -10.8349 -91.1824 -33.4739 -80.0243 54.9411 251.163 PRESSAVG: 179400 -106.421 40.7831 72.3026 40.783 31.1724 -61.0924 72.3027 -61.0923 86.9219 GPRESSAVG: 179400 -106.155 41.4835 70.561 42.7281 30.9585 -63.3029 70.9024 -61.4961 86.981 TIMING: 179400 CPU: 535.553, 0.00299732/step Wall: 535.553, 0.00299732/step, 4.01357 hours remaining, 205.894531 MB of memory in use. ENERGY: 179400 741.9570 2072.7282 1946.2246 109.7516 -206198.1463 17863.7820 0.0000 0.0000 34181.7013 -149282.0016 298.5173 -183463.7029 -149183.0638 298.4140 -58.4082 -25.0788 557946.3988 3.8911 3.9282 PRESSURE: 179600 -318.253 55.7872 -5.22747 55.7874 9.77323 8.50821 -5.22615 8.50977 184.746 GPRESSURE: 179600 -313.879 20.6542 1.2259 51.3585 12.3247 57.1767 84.4618 -15.7695 268.391 PRESSAVG: 179600 -108.609 -10.9399 -33.4357 -10.9398 63.2804 -17.911 -33.4358 -17.911 14.734 GPRESSAVG: 179600 -108.875 -13.9875 -32.7635 -12.4428 63.4357 -15.2342 -31.4922 -19.6028 14.858 TIMING: 179600 CPU: 536.148, 0.00297847/step Wall: 536.148, 0.00297847/step, 3.98817 hours remaining, 205.894531 MB of memory in use. ENERGY: 179600 728.3262 2036.0574 1944.0255 101.0702 -206116.4371 17779.1773 0.0000 0.0000 34172.7072 -149355.0733 298.4388 -183527.7805 -149249.3918 298.6054 -41.2446 -11.0543 557953.8128 -10.1983 -10.1937 PRESSURE: 179800 -43.9663 -263.946 26.0415 -263.947 239.38 -41.8227 26.0418 -41.8225 -165.346 GPRESSURE: 179800 -6.94845 -198.969 18.3953 -310.525 274.591 15.4072 98.5897 63.0013 -144.086 PRESSAVG: 179800 -10.1604 -45.8181 -18.6978 -45.8182 -3.82108 -13.4248 -18.6977 -13.4248 30.1886 GPRESSAVG: 179800 -10.3724 -44.8382 -17.9606 -43.9911 -3.59332 -13.8126 -18.8304 -11.4072 30.0213 TIMING: 179800 CPU: 536.74, 0.00295739/step Wall: 536.74, 0.00295739/step, 3.95978 hours remaining, 205.894531 MB of memory in use. ENERGY: 179800 748.1976 2084.7292 1921.5388 121.4520 -206385.6446 17887.7332 0.0000 0.0000 34303.4483 -149318.5455 299.5805 -183621.9938 -149218.7022 299.1231 10.0225 41.1854 557520.6387 5.4024 5.3519 PRESSURE: 180000 -30.0082 14.726 198.801 14.7269 -146.512 -6.68346 198.801 -6.68419 192.141 GPRESSURE: 180000 -4.49003 64.9129 255.451 -4.19245 -108.776 64.0113 204.844 75.7546 242.468 PRESSAVG: 180000 19.442 -41.3111 -14.1773 -41.3112 66.3147 37.8801 -14.1773 37.88 -35.2934 GPRESSAVG: 180000 20.6305 -39.8601 -14.0275 -41.1445 65.7715 37.3175 -13.8846 37.2173 -35.4934 TIMING: 180000 CPU: 537.334, 0.00297114/step Wall: 537.334, 0.00297114/step, 3.97803 hours remaining, 205.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 180000 793.4900 2060.1209 1927.2801 114.5117 -206529.6106 17929.8023 0.0000 0.0000 34208.3571 -149496.0486 298.7501 -183704.4057 -149399.3113 298.8455 5.2070 43.0675 556162.8639 16.8211 16.9695 PRESSURE: 180200 -230.665 43.3625 50.3616 43.363 263.502 61.2051 50.3606 61.2033 211.489 GPRESSURE: 180200 -204.421 -9.36453 81.2821 16.7313 317.593 105.82 54.2688 50.8393 231.789 PRESSAVG: 180200 -13.5471 -33.085 54.7984 -33.085 -31.4698 50.6025 54.7984 50.6024 64.1953 GPRESSAVG: 180200 -13.9245 -34.9388 54.2288 -32.6602 -30.1866 49.7918 54.9378 51.6556 63.8356 TIMING: 180200 CPU: 537.928, 0.00296776/step Wall: 537.928, 0.00296776/step, 3.97333 hours remaining, 205.894531 MB of memory in use. ENERGY: 180200 756.2408 2082.7693 1931.1976 113.6420 -206656.3057 18008.9232 0.0000 0.0000 34222.2601 -149541.2727 298.8715 -183763.5328 -149445.4193 298.4724 81.4419 114.9868 557770.7803 6.3928 6.5748 LDB: ============= START OF LOAD BALANCING ============== 541.475 LDB: ============== END OF LOAD BALANCING =============== 541.475 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 541.477 LDB: ============= START OF LOAD BALANCING ============== 541.774 LDB: Largest compute 4795 load 0.027265 is 23.1% of average load 0.118036 LDB: Average compute 0.001729 is 1.5% of average load 0.118036 LDB: TIME 541.777 LOAD: AVG 0.118036 MAX 0.209536 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.949 MB LDB: TIME 541.777 LOAD: AVG 0.118036 MAX 0.209536 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.992 MB LDB: TIME 541.777 LOAD: AVG 0.118036 MAX 0.209536 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.992 MB LDB: ============== END OF LOAD BALANCING =============== 541.779 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 541.783 PRESSURE: 180400 184.455 -29.6613 -154.614 -29.6623 -76.2512 19.5981 -154.614 19.6001 261.767 GPRESSURE: 180400 182.217 -87.632 -82.874 7.25803 -26.2324 8.96389 -72.3067 75.2837 321.714 PRESSAVG: 180400 -55.3837 -40.4063 -6.78188 -40.4063 14.4459 -26.8088 -6.78197 -26.8089 35.3101 GPRESSAVG: 180400 -55.8293 -40.023 -5.29545 -42.1418 14.8377 -24.7635 -7.15691 -27.9267 35.4442 TIMING: 180400 CPU: 538.533, 0.00302887/step Wall: 538.533, 0.00302887/step, 4.05499 hours remaining, 204.628906 MB of memory in use. ENERGY: 180400 731.8944 2069.7381 1940.3373 102.5554 -206555.5982 18184.9063 0.0000 0.0000 34114.4686 -149411.6982 297.9301 -183526.1667 -149316.0129 298.6842 123.3235 159.2331 558297.8118 -1.8759 -1.8491 PRESSURE: 180600 -26.7635 8.93883 -8.73291 8.93769 17.4317 -0.176067 -8.73339 -0.176186 -40.0421 GPRESSURE: 180600 5.1463 39.3377 -70.5041 -85.6274 71.9373 -39.2327 103.624 -29.6322 -30.5799 PRESSAVG: 180600 10.3626 -31.0226 17.8764 -31.0226 -17.3629 18.8886 17.8764 18.8886 -19.301 GPRESSAVG: 180600 9.92993 -31.6988 15.914 -29.8877 -16.8773 16.7228 18.7097 18.2829 -18.8272 TIMING: 180600 CPU: 539.126, 0.00296038/step Wall: 539.126, 0.00296038/step, 3.96313 hours remaining, 204.628906 MB of memory in use. ENERGY: 180600 685.5909 2125.6119 1903.4668 115.9739 -205940.8777 17709.5502 0.0000 0.0000 34043.2079 -149357.4761 297.3078 -183400.6840 -149259.7243 297.8692 -16.4580 15.5012 557589.4611 -8.7671 -8.5915 PRESSURE: 180800 -22.345 14.5228 -59.8743 14.5222 -142.407 40.2095 -59.8752 40.2073 -31.7024 GPRESSURE: 180800 47.0301 -29.7931 -82.4739 18.1084 -132.541 122.428 -135.671 -3.2478 -26.2885 PRESSAVG: 180800 66.639 -6.2824 -25.9962 -6.28248 -13.7266 -27.0186 -25.9961 -27.0187 -41.9874 GPRESSAVG: 180800 67.2518 -4.47919 -25.1904 -7.11064 -14.743 -23.7043 -26.5734 -27.7133 -42.1253 TIMING: 180800 CPU: 539.714, 0.00294276/step Wall: 539.714, 0.00294276/step, 3.93937 hours remaining, 204.921875 MB of memory in use. ENERGY: 180800 773.7918 2074.8993 1903.8826 110.9125 -206249.7894 17769.2635 0.0000 0.0000 34337.9286 -149279.1110 299.8817 -183617.0396 -149184.1089 299.2142 -65.4849 -37.2665 558830.0517 3.6417 3.4612 PRESSURE: 181000 -312.303 -145.676 -119.561 -145.675 38.6931 -68.9792 -119.561 -68.9804 -16.4391 GPRESSURE: 181000 -261.703 -79.1373 -180.144 -156.862 46.9473 -80.7927 -72.9283 -35.6494 30.7799 PRESSAVG: 181000 -1.7267 47.9275 -26.5462 47.9275 -25.0013 8.81814 -26.5461 8.81809 13.8661 GPRESSAVG: 181000 -2.42124 46.7636 -24.4041 48.854 -24.8596 6.77673 -29.6366 11.0128 14.2499 TIMING: 181000 CPU: 540.311, 0.00298495/step Wall: 540.311, 0.00298495/step, 3.99568 hours remaining, 204.921875 MB of memory in use. ENERGY: 181000 724.7267 2120.8092 1947.0219 113.8607 -205883.4060 17581.8553 0.0000 0.0000 34084.3242 -149310.8081 297.6669 -183395.1323 -149216.9015 298.5130 -96.6830 -61.3252 557105.2248 -4.2873 -4.3437 PRESSURE: 181200 110.248 -22.2026 57.9047 -22.2032 125.15 112.887 57.9042 112.886 119.49 GPRESSURE: 181200 160.267 26.3767 -4.1262 42.7296 123.892 94.4243 146.607 80.1421 173.955 PRESSAVG: 181200 -68.7768 34.104 -1.08382 34.104 0.162814 23.72 -1.0838 23.7198 73.9747 GPRESSAVG: 181200 -67.8507 33.4575 -1.82315 35.3166 -0.19654 21.45 1.28617 25.0659 73.3077 TIMING: 181200 CPU: 540.909, 0.0029908/step Wall: 540.909, 0.0029908/step, 4.00335 hours remaining, 204.921875 MB of memory in use. ENERGY: 181200 742.6410 2129.7586 1916.3519 118.0028 -206165.8896 17968.4708 0.0000 0.0000 34145.6002 -149145.0642 298.2020 -183290.6644 -149047.1887 298.8770 118.2962 152.7047 557986.7620 1.7869 1.7535 PRESSURE: 181400 -324.353 -112.329 97.9912 -112.329 -186.781 93.9399 97.9912 93.9399 85.1404 GPRESSURE: 181400 -316.023 -103.148 192.165 -122.124 -142.768 65.5179 56.4402 123.7 131.604 PRESSAVG: 181400 -55.5716 -4.42499 33.5991 -4.42495 -0.613575 -18.7542 33.5991 -18.7543 44.1572 GPRESSAVG: 181400 -56.3298 -2.65497 34.9287 -7.09773 0.176786 -17.8307 32.8005 -20.4658 44.3943 TIMING: 181400 CPU: 541.504, 0.00297244/step Wall: 541.504, 0.00297244/step, 3.97862 hours remaining, 204.921875 MB of memory in use. ENERGY: 181400 756.4313 2042.8928 1919.6195 105.2755 -205941.6875 17511.2820 0.0000 0.0000 34327.5083 -149278.6780 299.7907 -183606.1864 -149178.6521 299.5514 -141.9979 -109.0622 557506.3074 -4.0093 -3.9196 PRESSURE: 181600 71.2834 53.582 -72.8902 53.5835 -1.80117 -85.2349 -72.8906 -85.235 -262.899 GPRESSURE: 181600 151.394 -12.7794 -95.275 56.0745 -45.6719 -98.0733 -30.8802 -35.5529 -191.911 PRESSAVG: 181600 -51.3737 37.9172 -18.4317 37.9172 25.414 23.461 -18.4316 23.4609 40.5825 GPRESSAVG: 181600 -50.5087 37.0671 -19.2957 39.3803 24.896 24.1521 -18.546 23.9686 39.6026 TIMING: 181600 CPU: 542.103, 0.00299398/step Wall: 542.103, 0.00299398/step, 4.00727 hours remaining, 204.921875 MB of memory in use. ENERGY: 181600 740.4527 2060.1265 1914.5883 103.6956 -206187.0022 17779.9577 0.0000 0.0000 34260.7011 -149327.4804 299.2072 -183588.1814 -149226.3765 298.5050 -64.4721 -28.7298 558442.1103 4.8742 4.6633 PRESSURE: 181800 -55.208 -17.332 60.9472 -17.3319 -155.13 -105.971 60.9475 -105.973 -113.085 GPRESSURE: 181800 -73.1016 -25.0746 119.584 27.1601 -123.323 -45.1828 -3.02303 -125.719 -37.1139 PRESSAVG: 181800 -12.5335 6.6216 51.9498 6.6216 30.467 -42.6388 51.9499 -42.6388 -11.1074 GPRESSAVG: 181800 -12.6073 6.5393 51.2268 6.53694 29.6992 -42.1552 53.905 -42.1805 -10.4756 TIMING: 181800 CPU: 542.702, 0.0029966/step Wall: 542.702, 0.0029966/step, 4.01062 hours remaining, 204.921875 MB of memory in use. ENERGY: 181800 691.0640 2047.0405 1912.3746 103.1347 -206064.4992 17581.6325 0.0000 0.0000 34277.3474 -149451.9056 299.3526 -183729.2529 -149347.2488 298.7768 -107.8077 -77.8462 559096.9212 2.2754 2.2054 PRESSURE: 182000 -450.165 -16.702 -29.2986 -16.7019 -59.1804 169.953 -29.2984 169.954 -251.885 GPRESSURE: 182000 -360.773 -25.1497 -63.6726 69.9285 -58.5481 215.56 -77.9697 119.993 -251.931 PRESSAVG: 182000 -52.6891 20.8381 39.9408 20.8381 32.8246 14.4442 39.9408 14.4442 29.6007 GPRESSAVG: 182000 -52.9624 21.9485 38.8572 19.3372 32.9597 14.2302 39.2191 12.6536 29.8424 TIMING: 182000 CPU: 543.298, 0.00298242/step Wall: 543.298, 0.00298242/step, 3.99147 hours remaining, 204.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 182000 778.3088 2010.3904 1936.1565 102.8364 -206129.5855 17636.7167 0.0000 0.0000 34180.4825 -149484.6941 298.5067 -183665.1766 -149385.1698 298.6003 -253.7435 -223.7506 559500.1638 3.2454 3.2799 PRESSURE: 182200 21.235 -124.398 -124.298 -124.397 -35.257 -208.918 -124.297 -208.919 62.7933 GPRESSURE: 182200 3.03324 -65.5315 -99.3047 -55.1708 63.2901 -272.075 -178.767 -218.485 71.0255 PRESSAVG: 182200 -21.8509 -4.13881 -48.4526 -4.13881 -28.7434 -39.3068 -48.4525 -39.3067 15.6484 GPRESSAVG: 182200 -22.5261 -2.78968 -47.747 -3.68591 -28.9234 -38.5209 -49.3571 -39.0424 16.7076 TIMING: 182200 CPU: 543.895, 0.00298187/step Wall: 543.895, 0.00298187/step, 3.99057 hours remaining, 204.921875 MB of memory in use. ENERGY: 182200 733.6754 2058.6659 1935.9803 112.2202 -206508.6678 18044.4529 0.0000 0.0000 34084.3464 -149539.3267 297.6671 -183623.6730 -149441.3202 297.8649 16.2571 45.7830 557896.8806 -11.6486 -11.5806 PRESSURE: 182400 116.129 -58.0241 -37.6042 -58.0238 -208.286 -40.5361 -37.6033 -40.5368 -133.078 GPRESSURE: 182400 103.533 -115.612 -39.667 30.1238 -159.608 -7.49586 -28.531 -124.653 -68.5906 PRESSAVG: 182400 43.4297 -44.3677 -41.0834 -44.3677 -68.126 -19.7286 -41.0834 -19.7288 38.1563 GPRESSAVG: 182400 43.3735 -46.9229 -42.1104 -42.0767 -67.9781 -20.7323 -39.4049 -20.2005 38.2599 TIMING: 182400 CPU: 544.493, 0.00299358/step Wall: 544.493, 0.00299358/step, 4.00607 hours remaining, 204.921875 MB of memory in use. ENERGY: 182400 749.5332 2062.4148 1944.2311 96.6352 -206160.0290 17787.2109 0.0000 0.0000 34074.4913 -149445.5125 297.5810 -183520.0038 -149355.3212 298.0560 -75.0784 -41.5555 558595.1806 4.4867 4.5518 PRESSURE: 182600 4.9367 -24.4824 -57.584 -24.4835 -51.35 95.4698 -57.5841 95.4688 -260.792 GPRESSURE: 182600 29.9185 10.0081 -64.866 -38.416 10.2317 67.5483 -56.2792 97.5395 -254.793 PRESSAVG: 182600 38.4545 -2.9072 -2.10979 -2.90726 -14.462 0.233843 -2.10979 0.233769 -7.25564 GPRESSAVG: 182600 38.5336 -2.4991 0.00517118 -3.83615 -14.6336 1.75448 -3.36972 -0.12855 -6.86736 TIMING: 182600 CPU: 545.087, 0.00296627/step Wall: 545.087, 0.00296627/step, 3.96936 hours remaining, 204.921875 MB of memory in use. ENERGY: 182600 746.7452 2077.5797 1937.2916 106.5110 -206218.7610 17802.6159 0.0000 0.0000 34115.5115 -149432.5062 297.9392 -183548.0176 -149338.0785 298.2669 -102.4018 -71.5475 559387.3382 5.5790 5.6776 PRESSURE: 182800 223.451 22.176 -170.568 22.177 99.4124 68.8827 -170.567 68.8824 113.351 GPRESSURE: 182800 224.331 -42.5484 -144.459 -14.1492 135.362 53.2854 -173.849 92.0444 168.921 PRESSAVG: 182800 29.9743 -43.7834 8.30395 -43.7834 -54.4422 8.16155 8.30401 8.16162 24.7495 GPRESSAVG: 182800 30.1339 -42.7108 5.98031 -44.6645 -53.6761 7.47775 9.32961 9.29175 23.9677 TIMING: 182800 CPU: 545.681, 0.00296991/step Wall: 545.681, 0.00296991/step, 3.97407 hours remaining, 204.921875 MB of memory in use. ENERGY: 182800 687.2745 2068.2869 1922.4904 110.1877 -206575.0092 18112.4883 0.0000 0.0000 34263.7640 -149410.5173 299.2340 -183674.2814 -149326.4199 298.0928 145.4048 176.2047 558666.0617 0.0939 0.1418 PRESSURE: 183000 -218.573 21.5175 29.6088 21.5163 -110.398 4.03142 29.6074 4.02993 -269.209 GPRESSURE: 183000 -163.712 46.2809 10.8474 22.6708 -98.6395 -24.2346 -20.4374 51.8184 -251.5 PRESSAVG: 183000 3.44735 2.81548 -44.7925 2.8155 -26.5867 -7.98797 -44.7925 -7.98808 -15.7612 GPRESSAVG: 183000 3.1237 3.12257 -44.902 4.50129 -26.6198 -7.24642 -44.2726 -9.66794 -15.2832 TIMING: 183000 CPU: 546.275, 0.00297282/step Wall: 546.275, 0.00297282/step, 3.9778 hours remaining, 204.921875 MB of memory in use. ENERGY: 183000 772.1695 2061.2458 1943.4029 103.6655 -206197.9694 17691.2152 0.0000 0.0000 34005.0958 -149621.1746 296.9750 -183626.2704 -149528.1278 298.1951 -199.3934 -171.2839 558755.7074 -12.9668 -12.9264 PRESSURE: 183200 -17.9588 57.3813 -49.5535 57.3821 210.631 -121.395 -49.5535 -121.395 -160.225 GPRESSURE: 183200 33.8088 44.6931 -120.136 57.0241 234.767 -139.165 62.0132 -145.329 -139.049 PRESSAVG: 183200 -1.91775 9.21692 -25.8993 9.21699 50.3405 -12.3473 -25.8993 -12.3472 -17.743 GPRESSAVG: 183200 -1.68761 8.93863 -25.158 8.93611 51.0231 -14.1945 -28.5563 -10.1114 -18.1284 TIMING: 183200 CPU: 546.867, 0.00295639/step Wall: 546.867, 0.00295639/step, 3.95565 hours remaining, 204.921875 MB of memory in use. ENERGY: 183200 733.1349 2117.7076 1942.9558 105.0858 -206408.8592 17939.6331 0.0000 0.0000 33776.7687 -149793.5733 294.9809 -183570.3420 -149696.5052 297.9889 10.8158 43.1755 556342.3160 10.2266 10.4024 PRESSURE: 183400 369.152 8.5634 -39.5381 8.56343 -63.1807 156.644 -39.5382 156.645 -48.5818 GPRESSURE: 183400 323.144 29.446 -0.753995 3.38209 -32.2151 143.909 -0.930889 132.875 57.4533 PRESSAVG: 183400 -9.63741 2.62583 20.6386 2.62577 -10.5861 3.71264 20.6387 3.71259 59.0904 GPRESSAVG: 183400 -9.14271 0.698201 22.0877 3.01668 -11.6226 6.71738 20.671 2.33462 59.4933 TIMING: 183400 CPU: 547.461, 0.00297287/step Wall: 547.461, 0.00297287/step, 3.97753 hours remaining, 204.921875 MB of memory in use. ENERGY: 183400 710.9772 2078.9267 1927.4216 102.7249 -206600.8446 17931.7125 0.0000 0.0000 34071.3581 -149777.7235 297.5536 -183849.0816 -149678.2940 297.6325 85.7966 116.1275 554877.7361 12.9556 12.9093 PRESSURE: 183600 130.458 84.3459 83.0284 84.344 -442.748 -69.685 83.0284 -69.6852 -302.238 GPRESSURE: 183600 98.7606 90.479 80.549 81.0335 -365.731 -60.436 114.617 -49.8917 -243.434 PRESSAVG: 183600 37.4997 19.7693 7.37532 19.7692 8.9157 26.5531 7.37525 26.5531 -16.7311 GPRESSAVG: 183600 37.4751 18.7623 6.272 18.8508 8.80991 22.1613 8.61502 26.7677 -16.4922 TIMING: 183600 CPU: 548.058, 0.00298287/step Wall: 548.058, 0.00298287/step, 3.99074 hours remaining, 204.921875 MB of memory in use. ENERGY: 183600 718.4200 2065.1989 1926.6352 110.7887 -205912.9305 17300.9797 0.0000 0.0000 33971.6658 -149819.2422 296.6830 -183790.9080 -149719.5396 298.1591 -204.8427 -170.1347 555728.1187 9.8948 9.9309 PRESSURE: 183800 -26.3998 -9.77281 -35.9288 -9.77421 -315.974 79.5071 -35.9296 79.5066 -186.404 GPRESSURE: 183800 0.0679372 -60.2569 -42.4073 4.47647 -296.931 118.385 -14.9789 -42.3146 -155.112 PRESSAVG: 183800 7.01221 14.4085 -23.5446 14.4086 -13.1069 23.9016 -23.5445 23.9017 -45.7653 GPRESSAVG: 183800 7.29556 16.3896 -23.9719 13.9965 -13.3331 25.0935 -21.5635 23.7831 -46.3449 TIMING: 183800 CPU: 548.653, 0.00297645/step Wall: 548.653, 0.00297645/step, 3.982 hours remaining, 204.921875 MB of memory in use. ENERGY: 183800 741.0383 2103.3328 1935.0963 113.3844 -206483.4351 17508.6049 0.0000 0.0000 34152.2961 -149929.6823 298.2605 -184081.9784 -149833.5275 297.3481 -176.2592 -150.6584 556576.5763 -17.2867 -17.4608 PRESSURE: 184000 -320.047 -175.973 -185.614 -175.975 152.759 -43.1576 -185.615 -43.1578 -108.767 GPRESSURE: 184000 -271.38 -113.108 -147.635 -195.656 166.209 -10.5487 -104.474 2.1221 -76.9147 PRESSAVG: 184000 0.88273 -21.6765 -14.9822 -21.6765 49.886 -19.8198 -14.9823 -19.8198 9.31641 GPRESSAVG: 184000 0.510334 -19.161 -12.8744 -23.6408 49.4629 -17.9625 -17.9092 -18.3029 10.5678 TIMING: 184000 CPU: 549.247, 0.00296826/step Wall: 549.247, 0.00296826/step, 3.97087 hours remaining, 204.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 184000 745.8030 2085.5118 1930.0473 119.6478 -206605.2415 17753.3746 0.0000 0.0000 34024.8487 -149946.0084 297.1475 -183970.8571 -149851.1878 297.4379 -92.0186 -60.6950 556228.1026 20.0284 20.1803 PRESSURE: 184200 -86.7049 49.3034 -43.6806 49.3043 -236.208 4.04852 -43.681 4.04934 -3.51802 GPRESSURE: 184200 -65.2126 47.1862 -55.4244 -42.5251 -134.667 -30.6768 -37.8499 -91.3749 -19.9197 PRESSAVG: 184200 -10.8557 -59.0717 -42.8544 -59.0717 14.3946 -7.01214 -42.8544 -7.01222 -30.5732 GPRESSAVG: 184200 -11.7652 -61.9692 -44.4832 -55.5035 15.1584 -8.67659 -41.2581 -7.05679 -30.5927 TIMING: 184200 CPU: 549.844, 0.00298461/step Wall: 549.844, 0.00298461/step, 3.99258 hours remaining, 204.921875 MB of memory in use. ENERGY: 184200 763.9811 2099.5662 1955.0239 124.2996 -206808.9418 17928.4356 0.0000 0.0000 34040.3028 -149897.3326 297.2824 -183937.6354 -149803.8585 297.7815 -108.8102 -73.2664 556759.0355 -9.0114 -9.0665 LDB: ============= START OF LOAD BALANCING ============== 553.393 LDB: ============== END OF LOAD BALANCING =============== 553.393 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 553.395 LDB: ============= START OF LOAD BALANCING ============== 553.694 LDB: Largest compute 4773 load 0.026141 is 22.2% of average load 0.117951 LDB: Average compute 0.001727 is 1.5% of average load 0.117951 LDB: TIME 553.697 LOAD: AVG 0.117951 MAX 0.208683 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.922 MB LDB: TIME 553.697 LOAD: AVG 0.117951 MAX 0.208683 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.926 MB LDB: TIME 553.697 LOAD: AVG 0.117951 MAX 0.208683 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.926 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 553.699 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 553.703 PRESSURE: 184400 175.888 72.0971 62.5849 72.0978 -22.9423 132.271 62.5851 132.27 152.121 GPRESSURE: 184400 189.198 130.279 109.219 91.3787 48.8747 62.7481 93.7039 76.6401 170.012 PRESSAVG: 184400 24.4501 -6.352 22.5406 -6.35208 30.4556 -2.57901 22.5406 -2.579 -53.6115 GPRESSAVG: 184400 24.8104 -5.90132 23.731 -8.13513 30.2027 -0.689097 21.2566 -2.47817 -54.1677 TIMING: 184400 CPU: 550.453, 0.00304897/step Wall: 550.453, 0.00304897/step, 4.0785 hours remaining, 205.671875 MB of memory in use. ENERGY: 184400 771.6902 2103.8957 1910.2332 119.4034 -206831.9334 18023.1383 0.0000 0.0000 34099.0565 -149804.5161 297.7955 -183903.5726 -149715.5129 297.6376 101.6890 136.0281 555647.8940 0.4314 0.2818 PRESSURE: 184600 82.4709 39.5228 71.6601 39.5226 373.592 150.339 71.6596 150.338 246.174 GPRESSURE: 184600 112.857 29.3884 -72.3235 97.86 359.319 88.1799 158.491 235.16 321.03 PRESSAVG: 184600 -39.1297 27.0982 3.46959 27.0982 11.4751 -52.0201 3.46965 -52.0202 48.6656 GPRESSAVG: 184600 -40.1706 25.7468 1.48528 28.5265 11.6131 -52.8903 4.2763 -52.0303 49.1964 TIMING: 184600 CPU: 551.049, 0.00297714/step Wall: 551.049, 0.00297714/step, 3.98226 hours remaining, 205.875000 MB of memory in use. ENERGY: 184600 724.8683 2056.7587 1942.0057 127.7217 -207254.1757 18389.5939 0.0000 0.0000 34125.1808 -149888.0466 298.0237 -184013.2274 -149786.9970 298.0530 234.0787 264.4020 555471.9458 7.0037 6.8796 PRESSURE: 184800 228.93 -115.742 165.524 -115.743 178.479 203.178 165.524 203.179 83.5088 GPRESSURE: 184800 235.259 -83.7527 230.48 -178.855 215.018 154.243 80.2813 120.261 136.423 PRESSAVG: 184800 8.3839 -57.4492 -1.34188 -57.4492 -1.11587 -26.4098 -1.34195 -26.41 -13.8062 GPRESSAVG: 184800 8.11486 -55.6407 -0.747922 -58.8083 -2.04548 -27.0763 -1.74004 -27.6479 -13.4848 TIMING: 184800 CPU: 551.64, 0.00295732/step Wall: 551.64, 0.00295732/step, 3.95558 hours remaining, 205.875000 MB of memory in use. ENERGY: 184800 708.9735 2028.5031 1917.9242 118.9032 -207091.8774 18128.7590 0.0000 0.0000 34214.9028 -149973.9116 298.8073 -184188.8143 -149870.4178 297.8622 163.6391 195.5668 556404.7361 -2.1794 -2.4718 PRESSURE: 185000 72.0437 87.2724 41.0615 87.2717 -161.409 12.6792 41.061 12.6785 50.4705 GPRESSURE: 185000 140.518 111.27 -51.0439 126.67 -147.889 -67.6304 -41.456 27.2457 70.129 PRESSAVG: 185000 -1.16005 10.7494 -46.4778 10.7494 7.90133 -21.306 -46.4777 -21.3059 -31.4541 GPRESSAVG: 185000 -0.0767334 11.7054 -45.7988 13.0471 7.58519 -21.1031 -48.5911 -19.6354 -32.0537 TIMING: 185000 CPU: 552.238, 0.00298945/step Wall: 552.238, 0.00298945/step, 3.99839 hours remaining, 205.875000 MB of memory in use. ENERGY: 185000 752.9669 2063.4115 1935.0131 99.5349 -206787.7028 17844.7668 0.0000 0.0000 34169.0027 -149923.0069 298.4064 -184092.0096 -149819.9342 297.7570 -12.9649 20.9194 556327.1139 -8.2376 -8.1817 PRESSURE: 185200 -15.207 123.105 -21.1351 123.106 -33.9193 -135.925 -21.1346 -135.927 -315.592 GPRESSURE: 185200 33.5262 121.433 -21.154 58.9643 -61.878 -144.209 33.9844 -117.74 -241.691 PRESSAVG: 185200 23.1383 -39.097 22.9744 -39.097 -4.71901 -33.2343 22.9743 -33.2343 -4.96397 GPRESSAVG: 185200 23.8185 -39.3411 21.8238 -40.9787 -4.23468 -32.5059 25.9852 -35.2898 -6.19928 TIMING: 185200 CPU: 552.833, 0.00297391/step Wall: 552.833, 0.00297391/step, 3.97744 hours remaining, 205.875000 MB of memory in use. ENERGY: 185200 760.9806 2054.7370 1922.2268 116.6715 -206330.0409 17616.1328 0.0000 0.0000 34194.0851 -149665.2071 298.6254 -183859.2922 -149579.3368 298.2513 -121.5729 -90.0143 557295.7970 4.4851 4.4615 PRESSURE: 185400 173.208 200.53 -7.243 200.53 -25.0881 -155.804 -7.24494 -155.805 -127.829 GPRESSURE: 185400 181.193 228.765 -31.3692 135.435 15.6841 -164.967 68.8583 -170.367 -83.312 PRESSAVG: 185400 65.1027 14.6478 -5.2623 14.6478 7.79522 -32.6105 -5.26246 -32.6106 -84.1906 GPRESSAVG: 185400 64.7663 12.2532 -4.20529 14.4107 7.33694 -33.8857 -4.90146 -30.8081 -83.654 TIMING: 185400 CPU: 553.431, 0.00299034/step Wall: 553.431, 0.00299034/step, 3.99925 hours remaining, 205.875000 MB of memory in use. ENERGY: 185400 721.0036 2023.6118 1953.0618 113.3719 -206706.4893 17961.4972 0.0000 0.0000 34243.0302 -149690.9126 299.0529 -183933.9429 -149598.9508 298.6945 6.7637 37.8551 557948.2440 -3.7642 -3.8502 PRESSURE: 185600 308.668 58.8001 -61.386 58.7996 201.581 -85.5867 -61.3859 -85.5871 46.9295 GPRESSURE: 185600 350.554 41.258 78.6846 10.5683 223.64 40.153 -71.007 -213.403 86.3047 PRESSAVG: 185600 -5.85664 11.1664 3.40263 11.1665 -42.7225 -71.9345 3.40259 -71.9345 41.697 GPRESSAVG: 185600 -6.9284 11.3528 4.34749 11.1841 -42.2376 -69.5096 2.05396 -74.8828 42.1929 TIMING: 185600 CPU: 554.025, 0.00297031/step Wall: 554.025, 0.00297031/step, 3.97229 hours remaining, 205.875000 MB of memory in use. ENERGY: 185600 714.5795 2085.3483 1920.4920 113.6783 -206909.0268 18207.3473 0.0000 0.0000 34182.2930 -149685.2885 298.5225 -183867.5814 -149599.9657 298.3446 185.7263 220.1661 556135.0844 -2.2940 -2.3244 PRESSURE: 185800 -203.986 116.93 29.805 116.93 -329.848 -54.733 29.8063 -54.7321 -325.998 GPRESSURE: 185800 -190.062 216.975 -44.1209 9.63505 -277.003 -33.2284 156.949 -136.052 -296.006 PRESSAVG: 185800 6.58885 -46.5415 -3.93883 -46.5415 -27.2174 -12.5135 -3.93881 -12.5135 17.6597 GPRESSAVG: 185800 6.45357 -43.0273 -4.86123 -48.0225 -27.0475 -12.357 -2.85273 -13.9061 17.7094 TIMING: 185800 CPU: 554.619, 0.00297093/step Wall: 554.619, 0.00297093/step, 3.97295 hours remaining, 205.875000 MB of memory in use. ENERGY: 185800 712.9773 2137.3929 1934.4395 116.0515 -206319.1373 17565.6518 0.0000 0.0000 34063.2920 -149789.3323 297.4832 -183852.6243 -149698.4738 298.6515 -286.6106 -254.3573 558615.0161 -0.9896 -0.9615 PRESSURE: 186000 25.0495 -71.2996 125.546 -71.301 23.5762 -167.328 125.547 -167.328 -100.535 GPRESSURE: 186000 52.4543 -43.545 70.9623 -45.0896 47.7579 -133.757 111.751 -169.402 -59.5339 PRESSAVG: 186000 -30.3195 19.3899 -3.87314 19.3899 28.3299 -18.418 -3.87308 -18.4181 13.535 GPRESSAVG: 186000 -29.707 15.6371 -2.59843 22.3542 28.3947 -19.6884 -2.33332 -13.7869 13.043 TIMING: 186000 CPU: 555.215, 0.00297955/step Wall: 555.215, 0.00297955/step, 3.98432 hours remaining, 205.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 186000 730.1951 2041.4529 1916.7725 108.8024 -206411.9708 17896.9963 0.0000 0.0000 33910.1974 -149807.5541 296.1462 -183717.7516 -149712.0327 297.4334 -17.3030 13.5594 558269.2406 3.8485 3.9103 PRESSURE: 186200 -134.856 43.6669 126.705 43.6683 155.208 8.39858 126.704 8.39973 -178.851 GPRESSURE: 186200 -74.0103 41.6065 61.5811 -15.0531 147.387 45.8538 139.34 13.4343 -124.35 PRESSAVG: 186200 -52.4193 17.8049 -25.8413 17.8048 14.4628 -28.957 -25.8413 -28.957 -2.96125 GPRESSAVG: 186200 -53.1293 18.8073 -29.6412 15.4498 14.396 -30.4607 -28.2044 -28.3679 -2.92475 TIMING: 186200 CPU: 555.809, 0.00297107/step Wall: 555.809, 0.00297107/step, 3.97281 hours remaining, 205.875000 MB of memory in use. ENERGY: 186200 798.6197 2039.1303 1965.5757 106.7473 -206807.1689 17922.6143 0.0000 0.0000 34172.4621 -149802.0194 298.4366 -183974.4815 -149707.1329 297.7366 -52.8331 -16.9909 557101.4104 -13.6393 -13.8860 PRESSURE: 186400 158.353 -106.207 -4.11924 -106.207 63.1751 -78.3652 -4.11986 -78.3646 -378.564 GPRESSURE: 186400 144.345 -12.262 -84.4553 -187.44 99.1804 -203.467 62.6673 -67.8189 -302.62 PRESSAVG: 186400 29.5002 -58.7519 51.3688 -58.7519 57.1444 -15.3264 51.3687 -15.3263 -34.6782 GPRESSAVG: 186400 29.6547 -58.605 54.7827 -59.1885 56.228 -15.0448 50.0299 -17.2236 -33.8397 TIMING: 186400 CPU: 556.406, 0.00298507/step Wall: 556.406, 0.00298506/step, 3.99136 hours remaining, 205.875000 MB of memory in use. ENERGY: 186400 769.6877 2109.2127 1936.3762 117.5591 -206704.5205 17907.6072 0.0000 0.0000 33965.7865 -149898.2911 296.6317 -183864.0776 -149804.0252 298.2099 -52.3454 -19.6982 556437.8158 17.3221 17.3477 PRESSURE: 186600 -214.246 30.6505 60.1936 30.6507 -234.711 82.3427 60.193 82.3434 -81.5224 GPRESSURE: 186600 -115.282 34.2613 120.438 48.396 -155.31 65.9629 49.4504 97.6122 -149.706 PRESSAVG: 186600 38.5417 -18.5984 20.4243 -18.5985 7.75211 13.5907 20.4243 13.5908 -15.8135 GPRESSAVG: 186600 38.8589 -17.242 20.4142 -18.0115 8.93983 14.1555 22.0055 14.5253 -17.3043 TIMING: 186600 CPU: 557.002, 0.00297801/step Wall: 557.002, 0.00297801/step, 3.98177 hours remaining, 205.875000 MB of memory in use. ENERGY: 186600 806.5957 2119.6966 1920.6140 107.0072 -206504.6822 17590.8094 0.0000 0.0000 34002.5078 -149957.4514 296.9524 -183959.9592 -149856.6617 298.0232 -176.8264 -140.0992 556635.1719 10.1601 10.1648 PRESSURE: 186800 147.355 30.3478 -64.5544 30.3472 24.9589 -278.092 -64.5546 -278.093 -57.3196 GPRESSURE: 186800 215.306 87.0359 -64.5063 -11.0873 11.7194 -242.877 -55.8535 -226.363 -27.0167 PRESSAVG: 186800 85.6611 22.5927 -17.7488 22.5927 -15.6118 -18.3507 -17.7489 -18.3507 -57.8542 GPRESSAVG: 186800 84.4027 23.4315 -18.8777 22.0135 -16.0238 -17.5726 -17.147 -19.3373 -56.2645 TIMING: 186800 CPU: 557.595, 0.00296477/step Wall: 557.595, 0.00296477/step, 3.96389 hours remaining, 205.875000 MB of memory in use. ENERGY: 186800 753.5230 2136.3165 1932.9418 114.3709 -206704.2350 17911.3608 0.0000 0.0000 33902.8326 -149952.8895 296.0819 -183855.7220 -149854.0698 297.2070 38.3315 66.6697 556238.6351 4.0650 4.0381 PRESSURE: 187000 -89.7162 45.1851 -116.478 45.1846 -164.659 48.7627 -116.479 48.7636 -149.968 GPRESSURE: 187000 -46.6595 56.1724 -88.7075 88.5132 -125.414 46.7368 -9.15959 65.6403 -139.042 PRESSAVG: 187000 27.0265 67.7889 -10.7992 67.7888 -34.5249 7.47981 -10.7992 7.47978 -24.4579 GPRESSAVG: 187000 28.3884 65.6024 -7.12304 68.7946 -34.6483 7.50569 -11.4182 6.8523 -25.3005 TIMING: 187000 CPU: 558.188, 0.00296602/step Wall: 558.188, 0.00296602/step, 3.9654 hours remaining, 205.875000 MB of memory in use. ENERGY: 187000 734.0792 2103.4200 1937.0366 113.2559 -206542.5937 17617.9839 0.0000 0.0000 34201.0178 -149835.8003 298.6860 -184036.8181 -149739.9151 297.2663 -134.7810 -103.7053 555978.0345 -10.6521 -10.5201 PRESSURE: 187200 79.2646 90.0403 -0.95808 90.0402 -135.181 84.6869 -0.957088 84.6869 -282.018 GPRESSURE: 187200 89.331 61.7984 -44.5387 31.7646 -131.765 26.4687 -12.1981 68.9304 -195.898 PRESSAVG: 187200 62.4344 19.5514 5.33448 19.5514 -32.8175 46.1735 5.3345 46.1736 -19.2112 GPRESSAVG: 187200 61.6097 20.5706 3.13039 20.0953 -31.7785 46.3165 3.51692 45.4433 -19.9594 TIMING: 187200 CPU: 558.781, 0.00296273/step Wall: 558.781, 0.00296273/step, 3.96085 hours remaining, 205.875000 MB of memory in use. ENERGY: 187200 732.4388 2054.4865 1913.9872 107.4344 -206426.2507 17737.9033 0.0000 0.0000 34124.4891 -149755.5114 298.0177 -183880.0005 -149657.7573 298.6579 -112.6449 -79.4440 556990.2189 3.4686 3.2906 PRESSURE: 187400 -143.855 76.5759 155.021 76.5755 211.723 114.968 155.021 114.967 221.775 GPRESSURE: 187400 -13.5474 99.7798 56.1087 113.558 224.14 153.89 248.061 150.382 184.116 PRESSAVG: 187400 -8.30162 16.4453 42.3735 16.4454 48.674 43.2989 42.3735 43.299 23.207 GPRESSAVG: 187400 -8.61785 16.1889 43.1046 16.2402 48.7978 44.0487 44.386 45.3145 22.9643 TIMING: 187400 CPU: 559.376, 0.00297436/step Wall: 559.376, 0.00297436/step, 3.97623 hours remaining, 205.875000 MB of memory in use. ENERGY: 187400 735.3662 2038.0317 1938.5211 107.3896 -206849.0256 18066.6893 0.0000 0.0000 34107.3477 -149855.6800 297.8680 -183963.0277 -149757.8236 298.0787 96.5474 131.5697 555918.2913 21.1931 21.0481 PRESSURE: 187600 -67.8712 2.19185 162.131 2.19209 -54.2319 209.411 162.131 209.41 -242.074 GPRESSURE: 187600 -13.9746 -10.8415 125.517 -48.2541 -88.5408 237.864 186.815 258.451 -175.899 PRESSAVG: 187600 31.7722 -6.84378 53.6679 -6.8438 -0.101763 7.17607 53.6681 7.17607 -43.34 GPRESSAVG: 187600 32.7498 -6.8614 51.2207 -7.29152 -1.62344 5.17192 54.2652 7.33139 -42.7134 TIMING: 187600 CPU: 559.971, 0.00297487/step Wall: 559.971, 0.00297487/step, 3.97674 hours remaining, 205.875000 MB of memory in use. ENERGY: 187600 717.5007 2079.0653 1925.1399 116.7722 -206181.2282 17664.6112 0.0000 0.0000 33899.9811 -149778.1578 296.0570 -183678.1389 -149677.2899 297.4157 -121.3922 -92.8047 557547.0022 -3.8899 -3.8623 PRESSURE: 187800 271.682 112.871 42.31 112.871 28.6588 -132.36 42.3099 -132.358 -175.9 GPRESSURE: 187800 329.777 86.5624 -25.1573 100.773 82.0391 -90.4865 25.925 -145.842 -191.956 PRESSAVG: 187800 55.3736 4.36271 7.60117 4.36271 -57.1321 -29.4979 7.60127 -29.498 -1.90795 GPRESSAVG: 187800 55.1786 4.35764 7.43583 5.33148 -56.4261 -28.7567 7.13828 -29.113 -2.47863 TIMING: 187800 CPU: 560.575, 0.0030234/step Wall: 560.575, 0.0030234/step, 4.04144 hours remaining, 205.875000 MB of memory in use. ENERGY: 187800 706.7560 2074.4322 1943.1616 117.2281 -206663.1722 18007.9553 0.0000 0.0000 34047.1159 -149766.5231 297.3419 -183813.6390 -149673.6579 298.0513 41.4805 73.2867 556598.4286 -1.2221 -1.2421 PRESSURE: 188000 154.54 190.831 16.8364 190.831 -22.6977 20.1303 16.836 20.1312 -138.588 GPRESSURE: 188000 132.365 208.08 -83.2298 159.235 44.6239 39.4306 1.60244 48.2685 -83.1007 PRESSAVG: 188000 17.2237 -11.2407 -37.6971 -11.2406 -29.0366 -55.442 -37.697 -55.442 -3.84725 GPRESSAVG: 188000 17.7574 -10.9683 -36.5764 -10.8722 -29.7571 -55.7908 -38.4569 -55.9026 -3.99229 TIMING: 188000 CPU: 561.182, 0.00303384/step Wall: 561.182, 0.00303384/step, 4.05523 hours remaining, 205.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 188000 759.0334 2064.5826 1940.6456 114.7605 -206670.7850 18123.5508 0.0000 0.0000 34101.0205 -149567.1916 297.8127 -183668.2121 -149483.0273 297.9823 -2.2485 31.2961 557458.5711 -5.2201 -5.3307 PRESSURE: 188200 11.1096 -51.4657 -24.672 -51.4655 -72.2125 244.88 -24.6724 244.879 -76.2906 GPRESSURE: 188200 29.3858 32.236 11.2139 -49.3551 -46.1357 263.66 -63.45 188.87 -33.909 PRESSAVG: 188200 45.2349 67.8609 -16.7818 67.8609 -43.5505 8.58072 -16.7818 8.58083 45.7087 GPRESSAVG: 188200 44.1043 67.4335 -18.0249 67.4232 -43.0616 6.9793 -14.9322 9.27375 46.7267 TIMING: 188200 CPU: 561.791, 0.00304628/step Wall: 561.791, 0.00304628/step, 4.0717 hours remaining, 205.875000 MB of memory in use. ENERGY: 188200 743.7015 2077.1525 1935.4663 119.8135 -206433.6456 17780.0269 0.0000 0.0000 34264.3548 -149513.1301 299.2391 -183777.4850 -149411.8086 299.3389 -45.7978 -16.8863 557825.9364 15.7977 15.9231 LDB: ============= START OF LOAD BALANCING ============== 565.344 LDB: ============== END OF LOAD BALANCING =============== 565.344 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 565.346 LDB: ============= START OF LOAD BALANCING ============== 565.646 LDB: Largest compute 4773 load 0.026378 is 22.3% of average load 0.118042 LDB: Average compute 0.001731 is 1.5% of average load 0.118042 LDB: TIME 565.649 LOAD: AVG 0.118042 MAX 0.208585 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.695 MB LDB: TIME 565.649 LOAD: AVG 0.118042 MAX 0.208585 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.895 MB LDB: TIME 565.649 LOAD: AVG 0.118042 MAX 0.208585 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.895 MB LDB: ============== END OF LOAD BALANCING =============== 565.651 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 565.655 PRESSURE: 188400 -198.245 -122.891 84.7025 -122.892 184.232 -27.8524 84.7025 -27.8542 18.5289 GPRESSURE: 188400 -152.389 -134.046 109.237 -157.289 187.623 -24.8051 59.3085 -67.2947 59.972 PRESSAVG: 188400 -7.45946 35.7332 -15.07 35.7331 -29.1058 22.0854 -15.0699 22.0855 26.0227 GPRESSAVG: 188400 -7.45047 34.9002 -12.7533 37.6084 -29.0814 25.9192 -17.4828 21.2899 25.7408 TIMING: 188400 CPU: 562.405, 0.00307008/step Wall: 562.405, 0.00307008/step, 4.10333 hours remaining, 204.132812 MB of memory in use. ENERGY: 188400 749.9521 2142.9074 1940.4437 122.5825 -206507.1793 18065.4694 0.0000 0.0000 34170.0707 -149315.7535 298.4157 -183485.8242 -149222.3815 298.9158 1.5053 31.7351 557947.8064 -3.5142 -3.5970 PRESSURE: 188600 73.4197 8.44625 -72.3613 8.44645 87.3177 146.412 -72.3619 146.411 149.065 GPRESSURE: 188600 105.666 47.3472 -134.466 41.9276 179.176 92.3041 43.0531 146.436 121.326 PRESSAVG: 188600 3.61084 -5.72158 -18.9001 -5.72162 17.7174 -8.27931 -18.9001 -8.2794 19.0597 GPRESSAVG: 188600 3.48007 -2.30993 -18.6506 -9.20272 18.4019 -10.4734 -19.8325 -7.9327 18.5896 TIMING: 188600 CPU: 563.003, 0.00299135/step Wall: 563.003, 0.00299135/step, 3.99794 hours remaining, 204.132812 MB of memory in use. ENERGY: 188600 730.5964 2090.9474 1912.6509 111.4242 -206543.7350 17972.6041 0.0000 0.0000 34372.6423 -149352.8697 300.1848 -183725.5120 -149260.8236 298.7330 103.2673 135.3895 557206.4120 13.4627 13.4905 PRESSURE: 188800 210.542 66.1186 -95.6513 66.1179 53.4528 199.694 -95.6515 199.696 -96.9064 GPRESSURE: 188800 213.422 55.0091 -73.1736 74.1243 77.2446 189.036 -69.9273 182.177 -24.1628 PRESSAVG: 188800 5.62977 2.31954 -49.5912 2.31957 -67.8829 -38.7694 -49.5912 -38.7694 25.958 GPRESSAVG: 188800 4.76655 0.230569 -51.9343 3.60065 -68.3143 -35.7805 -47.2172 -40.0568 26.7317 TIMING: 188800 CPU: 563.599, 0.0029799/step Wall: 563.599, 0.0029799/step, 3.98247 hours remaining, 204.132812 MB of memory in use. ENERGY: 188800 723.3836 2058.0620 1927.5821 113.1883 -206381.4029 17894.8479 0.0000 0.0000 34175.5584 -149488.7806 298.4637 -183664.3390 -149390.0836 298.8021 55.6963 88.8345 556340.9142 -12.0984 -12.2720 PRESSURE: 189000 42.4394 60.7487 -155.867 60.7485 141.228 167.65 -155.867 167.65 5.94122 GPRESSURE: 189000 61.0092 50.1866 -208.337 109.727 138.982 230.282 -102.096 119.839 76.2388 PRESSAVG: 189000 34.0659 4.57275 -7.611 4.57267 -0.954568 28.9439 -7.6111 28.9439 10.7082 GPRESSAVG: 189000 33.4719 2.66447 -7.06293 5.24282 -0.549946 26.4536 -7.57108 29.1396 11.3408 TIMING: 189000 CPU: 564.208, 0.00304267/step Wall: 564.208, 0.00304267/step, 4.06619 hours remaining, 204.132812 MB of memory in use. ENERGY: 189000 748.7540 2124.9457 1926.1319 120.0590 -206517.1385 17973.9190 0.0000 0.0000 34312.0788 -149311.2502 299.6559 -183623.3290 -149211.3870 299.4819 63.2029 92.0766 556162.5219 14.6065 14.7543 PRESSURE: 189200 -292.325 -96.5781 -36.5582 -96.5784 -328.234 -61.7297 -36.557 -61.7291 -168.833 GPRESSURE: 189200 -307.688 -88.49 -28.1098 -13.8782 -267.222 -36.9814 -67.1644 -74.6037 -116.483 PRESSAVG: 189200 -16.9755 19.1033 -19.837 19.1032 -24.4722 26.5595 -19.837 26.5595 28.1203 GPRESSAVG: 189200 -17.0316 20.3326 -17.4479 18.6285 -23.93 26.5552 -22.2026 26.3147 27.5601 TIMING: 189200 CPU: 564.817, 0.00304738/step Wall: 564.817, 0.00304738/step, 4.07231 hours remaining, 204.132812 MB of memory in use. ENERGY: 189200 723.7938 2063.5614 1923.5898 112.6877 -205431.5428 17195.8307 0.0000 0.0000 34328.1320 -149083.9473 299.7961 -183412.0793 -148983.7122 299.7092 -263.1305 -230.4644 557663.1201 -4.4425 -4.4671 PRESSURE: 189400 64.4137 94.358 47.1972 94.3578 43.9483 -51.3982 47.1976 -51.3984 12.7692 GPRESSURE: 189400 145.177 -8.95772 -50.9055 107.638 37.4266 -70.0968 52.6604 -25.1509 35.4741 PRESSAVG: 189400 9.30135 24.2683 37.5356 24.2683 -12.2372 39.5668 37.5355 39.5668 -11.7208 GPRESSAVG: 189400 10.0556 22.6236 32.3806 25.006 -12.0164 39.5106 41.6638 41.2416 -12.625 TIMING: 189400 CPU: 565.423, 0.00302787/step Wall: 565.423, 0.00302787/step, 4.04608 hours remaining, 204.132812 MB of memory in use. ENERGY: 189400 763.0685 2137.5362 1933.2652 115.3350 -206320.2960 17805.2941 0.0000 0.0000 34524.8140 -149040.9830 301.5138 -183565.7970 -148944.0241 300.9574 40.3771 72.6925 555876.5464 -4.8856 -4.8619 PRESSURE: 189600 69.5907 71.2093 -109.241 71.2092 149.741 -75.8071 -109.242 -75.806 39.196 GPRESSURE: 189600 72.482 32.9818 -140.327 40.8951 129.106 -88.3583 -84.2502 -47.9527 151.318 PRESSAVG: 189600 32.6053 -9.18885 -16.6153 -9.18892 -9.52382 5.79185 -16.6154 5.79189 -18.4113 GPRESSAVG: 189600 31.5299 -9.16735 -12.8901 -9.27487 -9.97614 5.28592 -18.781 4.61257 -17.0385 TIMING: 189600 CPU: 566.025, 0.00300831/step Wall: 566.025, 0.00300831/step, 4.01977 hours remaining, 204.132812 MB of memory in use. ENERGY: 189600 723.2068 2142.8104 1899.1045 107.8620 -206324.3176 17911.5415 0.0000 0.0000 34535.3599 -149004.4324 301.6059 -183539.7923 -148900.5643 300.8802 86.1759 117.6353 555852.7559 1.5567 1.5051 PRESSURE: 189800 -90.4737 41.7255 -75.9145 41.7254 237.147 38.3268 -75.915 38.3284 233.436 GPRESSURE: 189800 -80.5579 24.8856 -72.2442 46.9259 299.237 34.428 -51.7075 9.03906 263.998 PRESSAVG: 189800 21.3902 35.5702 -35.6288 35.5703 9.9301 42.0424 -35.6288 42.0424 -50.4112 GPRESSAVG: 189800 22.2191 35.0431 -36.0768 34.621 10.4988 43.6839 -37.1865 42.9128 -51.9343 TIMING: 189800 CPU: 566.625, 0.00299945/step Wall: 566.625, 0.00299945/step, 4.00777 hours remaining, 204.132812 MB of memory in use. ENERGY: 189800 782.8797 2034.6382 1918.9945 112.4008 -206125.5020 18108.6563 0.0000 0.0000 34262.7977 -148905.1347 299.2255 -183167.9324 -148810.2429 300.5541 126.7030 160.8922 557419.3446 -6.3636 -6.4055 PRESSURE: 190000 -223.344 116.151 -25.3079 116.152 -273.128 -69.6233 -25.3087 -69.6248 151.172 GPRESSURE: 190000 -150.716 89.4614 -9.97922 130.726 -259.358 -50.6135 4.22464 -63.7391 170.219 PRESSAVG: 190000 19.9115 12.6869 -11.462 12.6868 -9.14208 8.45295 -11.462 8.45303 3.29934 GPRESSAVG: 190000 20.6527 13.8486 -11.5003 13.5709 -10.8629 5.72127 -9.14105 8.6949 3.27144 TIMING: 190000 CPU: 567.226, 0.00300827/step Wall: 567.226, 0.00300827/step, 4.01938 hours remaining, 204.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 190000 739.6278 2053.7912 1918.5311 109.2785 -205998.2392 17731.4823 0.0000 0.0000 34456.1885 -148989.3399 300.9145 -183445.5284 -148893.4412 300.1123 -115.1004 -79.9515 557779.6906 4.6896 4.3538 PRESSURE: 190200 -108.039 -58.5109 -236.794 -58.5109 -72.7364 172.138 -236.794 172.137 -113.807 GPRESSURE: 190200 -61.2072 -32.307 -210.441 -98.71 -112.272 133.925 -232.713 179.588 -31.0996 PRESSAVG: 190200 19.8076 -0.265724 25.9521 -0.265681 -15.277 47.8467 25.9521 47.8467 11.221 GPRESSAVG: 190200 18.006 -1.2182 26.3278 -0.491152 -14.6126 48.8192 24.4003 48.9241 12.2439 TIMING: 190200 CPU: 567.822, 0.00297868/step Wall: 567.822, 0.00297868/step, 3.97968 hours remaining, 204.132812 MB of memory in use. ENERGY: 190200 737.5046 2093.9382 1949.5872 122.4915 -205858.5095 17645.3655 0.0000 0.0000 34198.3153 -149111.3072 298.6624 -183309.6224 -149015.4882 299.5760 -98.1943 -68.1928 558769.6834 5.2505 5.2124 PRESSURE: 190400 35.5843 111.38 -160.794 111.381 16.3103 17.4494 -160.793 17.4508 33.5977 GPRESSURE: 190400 116.497 93.5751 -189.63 155.557 -0.701443 -95.9341 -181.266 -3.45422 69.4572 PRESSAVG: 190400 42.2104 37.3884 -47.5667 37.3884 -48.1143 26.8953 -47.5667 26.8953 25.5866 GPRESSAVG: 190400 43.024 37.4757 -48.4022 37.6117 -48.0624 25.5163 -45.866 27.607 24.6299 TIMING: 190400 CPU: 568.418, 0.00297924/step Wall: 568.418, 0.00297924/step, 3.98027 hours remaining, 204.132812 MB of memory in use. ENERGY: 190400 725.8162 2104.7137 1947.7995 122.9157 -206208.9905 17735.9479 0.0000 0.0000 34389.6014 -149182.1960 300.3329 -183571.7974 -149087.8863 300.1162 28.4974 61.7508 557263.1532 6.5609 6.5305 PRESSURE: 190600 -1.5646 104.29 31.0003 104.289 -253.984 231.807 31 231.807 198.029 GPRESSURE: 190600 32.5071 97.3851 90.9273 101.577 -235.914 268.531 -26.7334 238.735 236.47 PRESSAVG: 190600 31.5086 31.7275 -40.789 31.7274 -44.1396 50.8841 -40.7889 50.8842 18.0187 GPRESSAVG: 190600 31.1683 30.9177 -41.6715 31.8849 -44.0949 53.4583 -42.2816 48.7422 18.7447 TIMING: 190600 CPU: 569.011, 0.00296807/step Wall: 569.011, 0.00296807/step, 3.96518 hours remaining, 204.132812 MB of memory in use. ENERGY: 190600 754.6730 2098.1851 1949.0517 116.0455 -206389.8435 17831.8083 0.0000 0.0000 34404.7052 -149235.3746 300.4648 -183640.0799 -149138.9732 299.4157 -19.1732 11.0211 556861.8471 1.7959 1.9393 PRESSURE: 190800 -132.78 91.2465 -2.83312 91.2464 44.947 -0.912275 -2.83377 -0.911069 93.8187 GPRESSURE: 190800 -90.1316 -31.1317 -22.1973 211.338 -3.04329 -27.8751 42.9359 -1.85406 192.003 PRESSAVG: 190800 3.78513 12.893 -1.74504 12.893 -10.944 -20.2329 -1.74499 -20.2329 0.375543 GPRESSAVG: 190800 4.89395 13.4888 -2.21914 13.9164 -11.1121 -22.0305 -0.266007 -18.3032 -0.359183 TIMING: 190800 CPU: 569.605, 0.00296938/step Wall: 569.605, 0.00296938/step, 3.96677 hours remaining, 204.132812 MB of memory in use. ENERGY: 190800 765.2627 2102.8484 1918.5910 108.9874 -206158.2582 17796.9639 0.0000 0.0000 34116.7165 -149348.8884 297.9498 -183465.6050 -149250.6907 299.3192 1.9952 32.9428 557306.1628 -2.2611 -2.1924 PRESSURE: 191000 250.808 37.2561 131.254 37.2571 589.403 154.079 131.254 154.082 39.9638 GPRESSURE: 191000 308.944 44.6679 136.76 44.5037 533.853 152.048 156.848 141.783 129.339 PRESSAVG: 191000 -1.7276 28.8719 -36.303 28.8718 -0.769986 -11.4143 -36.3029 -11.4142 -17.1127 GPRESSAVG: 191000 -1.47835 32.5067 -35.2661 25.8049 -0.595222 -9.91575 -38.2379 -13.4145 -16.6526 TIMING: 191000 CPU: 570.203, 0.00298751/step Wall: 570.203, 0.00298751/step, 3.99081 hours remaining, 204.132812 MB of memory in use. ENERGY: 191000 720.5683 2089.2933 1928.4314 120.5211 -206727.2090 18373.4672 0.0000 0.0000 34335.6903 -149159.2373 299.8621 -183494.9277 -149058.9240 299.3928 293.3915 324.0453 556355.4018 -6.5368 -6.2420 PRESSURE: 191200 -142.332 64.838 -88.7313 64.8379 -241.756 -152.409 -88.7317 -152.409 -105.339 GPRESSURE: 191200 -93.0334 51.2433 -75.0341 104.574 -206.385 -154.239 -78.5233 -184.483 -85.1545 PRESSAVG: 191200 -62.3421 22.4047 -61.4651 22.4046 2.88943 -4.53276 -61.4651 -4.53281 28.2598 GPRESSAVG: 191200 -63.5298 20.2032 -58.9728 25.7126 3.58581 -5.57656 -60.9519 -3.71702 28.7367 TIMING: 191200 CPU: 570.796, 0.0029675/step Wall: 570.796, 0.0029675/step, 3.96392 hours remaining, 204.132812 MB of memory in use. ENERGY: 191200 813.2866 2073.8688 1942.3796 107.1149 -206148.9977 17745.7334 0.0000 0.0000 34499.3440 -148967.2704 301.2914 -183466.6144 -148870.2141 299.3915 -163.1422 -128.1911 559344.9664 -10.3976 -10.4024 PRESSURE: 191400 172.038 -135.672 -155.028 -135.672 -131.25 -56.3082 -155.029 -56.3085 1.66561 GPRESSURE: 191400 158.569 -159.483 -217.832 -112.162 -115.652 20.4956 -64.0459 -51.1489 103.997 PRESSAVG: 191400 -33.3052 -6.37123 -12.5763 -6.37119 -17.7388 -4.42464 -12.5763 -4.42465 30.4324 GPRESSAVG: 191400 -32.4035 -6.0349 -15.4195 -7.2984 -17.8026 -3.55726 -10.2497 -3.08142 29.2141 TIMING: 191400 CPU: 571.394, 0.0029906/step Wall: 571.394, 0.0029906/step, 3.99461 hours remaining, 204.132812 MB of memory in use. ENERGY: 191400 744.7745 2067.5951 1942.5869 120.7686 -205986.4698 17640.8204 0.0000 0.0000 34531.9739 -148937.9504 301.5763 -183469.9243 -148839.9527 300.5841 14.1509 48.9712 558350.0376 -6.8706 -6.9973 PRESSURE: 191600 102.327 49.9175 25.4587 49.9186 -116.957 -97.062 25.459 -97.0618 162.496 GPRESSURE: 191600 147.353 135.059 32.6952 18.3629 -89.7864 -86.9498 60.9542 -113.496 175.513 PRESSAVG: 191600 42.127 -35.1836 20.3129 -35.1837 -8.90615 -28.1817 20.313 -28.1815 -2.89083 GPRESSAVG: 191600 41.4621 -34.4714 19.8242 -34.6958 -9.96829 -30.3382 19.2106 -27.8717 -0.868308 TIMING: 191600 CPU: 571.995, 0.00300258/step Wall: 571.995, 0.00300258/step, 4.01044 hours remaining, 204.132812 MB of memory in use. ENERGY: 191600 723.1489 2129.7042 1948.4100 120.2302 -206180.3769 17843.6539 0.0000 0.0000 34463.4130 -148951.8167 300.9776 -183415.2297 -148855.3236 300.0069 49.2888 77.6931 557026.6037 10.1100 10.2085 PRESSURE: 191800 -65.9369 -127.74 -93.3319 -127.741 -160.308 3.20163 -93.3326 3.20143 25.1994 GPRESSURE: 191800 -40.2378 -166.535 -49.2667 -80.2768 -132.101 -1.66216 -83.0896 38.0453 53.2106 PRESSAVG: 191800 54.3884 -50.6593 -13.7331 -50.6595 -70.5235 -3.67313 -13.7331 -3.67315 19.4366 GPRESSAVG: 191800 55.087 -53.0396 -13.4678 -51.0237 -70.2227 -0.372007 -13.9009 -6.14826 18.2737 TIMING: 191800 CPU: 572.594, 0.00299506/step Wall: 572.594, 0.00299506/step, 4.00023 hours remaining, 204.132812 MB of memory in use. ENERGY: 191800 718.0562 2101.6280 1958.4295 115.8021 -205842.5969 17524.2652 0.0000 0.0000 34533.5627 -148890.8533 301.5902 -183424.4160 -148791.9479 299.6715 -67.0153 -39.7094 557219.4683 1.1005 1.0460 PRESSURE: 192000 118.154 -31.8191 76.1203 -31.8187 -266.681 37.2031 76.1194 37.2027 -227.885 GPRESSURE: 192000 155.538 -27.1724 100.61 -53.0711 -230.24 -19.0155 57.6491 91.0316 -204.38 PRESSAVG: 192000 28.7038 -20.7755 7.26102 -20.7755 13.1896 0.884409 7.26097 0.88447 2.30133 GPRESSAVG: 192000 27.6042 -17.9813 9.28913 -22.7271 12.7384 -0.193071 6.99593 2.28327 3.21414 TIMING: 192000 CPU: 573.186, 0.00296254/step Wall: 573.186, 0.00296254/step, 3.95664 hours remaining, 204.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 192000 717.5252 2139.9199 1925.6196 124.4225 -205490.0162 17531.7832 0.0000 0.0000 34356.5619 -148694.1840 300.0444 -183050.7458 -148599.9783 300.9692 -125.4707 -93.0273 558724.0979 14.7316 14.5189 PRESSURE: 192200 65.5284 71.0253 254.175 71.0258 -104.943 -38.0525 254.175 -38.0517 -202.82 GPRESSURE: 192200 97.7526 4.49675 199.69 147.758 -41.0013 -75.2341 333.676 -16.4109 -211.753 PRESSAVG: 192200 -5.67383 -1.37273 57.2065 -1.37275 44.3071 -45.2453 57.2065 -45.2454 -39.2722 GPRESSAVG: 192200 -5.41183 -3.35677 55.3846 1.25622 44.4441 -45.6135 57.8785 -45.7614 -39.5746 TIMING: 192200 CPU: 573.778, 0.00295814/step Wall: 573.778, 0.00295814/step, 3.95059 hours remaining, 204.132812 MB of memory in use. ENERGY: 192200 765.4159 2134.4021 1953.1032 113.2006 -205703.3635 17573.5363 0.0000 0.0000 34409.2983 -148754.4070 300.5050 -183163.7053 -148660.9605 301.4264 -80.7446 -51.6674 556959.2864 -0.2130 -0.1808 LDB: ============= START OF LOAD BALANCING ============== 577.324 LDB: ============== END OF LOAD BALANCING =============== 577.324 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 577.325 LDB: ============= START OF LOAD BALANCING ============== 577.619 LDB: Largest compute 4773 load 0.028328 is 24.0% of average load 0.117966 LDB: Average compute 0.001734 is 1.5% of average load 0.117966 LDB: TIME 577.622 LOAD: AVG 0.117966 MAX 0.203 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.902 MB LDB: TIME 577.622 LOAD: AVG 0.117966 MAX 0.203 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.902 MB LDB: TIME 577.622 LOAD: AVG 0.117966 MAX 0.203 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 577.624 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 577.628 PRESSURE: 192400 74.3077 -68.7713 3.42912 -68.7724 263.461 -104.24 3.42988 -104.24 119.926 GPRESSURE: 192400 93.5481 -114.024 -20.1013 -29.8297 325.802 -2.02746 34.4599 -143.265 125.943 PRESSAVG: 192400 13.3018 32.8532 18.0942 32.8532 49.8524 0.233686 18.0942 0.233839 -8.77536 GPRESSAVG: 192400 13.3581 33.7073 17.9416 32.1601 50.1846 2.70958 18.8787 0.0553619 -8.65923 TIMING: 192400 CPU: 574.378, 0.00300092/step Wall: 574.378, 0.00300092/step, 4.00756 hours remaining, 203.933594 MB of memory in use. ENERGY: 192400 738.1259 2109.5531 1919.6508 116.3817 -206243.6507 18096.0266 0.0000 0.0000 34373.1945 -148890.7180 300.1897 -183263.9125 -148790.9157 299.9203 152.5648 181.7644 556414.9659 18.1263 18.2945 PRESSURE: 192600 56.36 202.123 -212.748 202.124 215.128 186.403 -212.747 186.403 48.0702 GPRESSURE: 192600 30.8452 224.831 -227.48 232.209 263.489 208.892 -215.398 291.728 126.907 PRESSAVG: 192600 11.2587 7.47075 -41.8592 7.4707 -0.478629 14.7839 -41.8592 14.7839 -27.1573 GPRESSAVG: 192600 12.3722 6.02684 -42.7435 7.44731 -1.0568 14.4617 -42.2281 15.3001 -27.8258 TIMING: 192600 CPU: 574.973, 0.00297421/step Wall: 574.973, 0.00297421/step, 3.97173 hours remaining, 203.933594 MB of memory in use. ENERGY: 192600 743.2242 2094.5840 1933.0188 114.0648 -205977.0799 17804.4910 0.0000 0.0000 34368.8834 -148918.8138 300.1520 -183287.6972 -148818.8808 300.4003 106.5193 140.4136 557232.1655 -5.4591 -5.5035 PRESSURE: 192800 -275.196 35.5603 -47.4954 35.5602 -65.0999 119.846 -47.4962 119.845 65.0088 GPRESSURE: 192800 -212.309 83.1273 -20.0641 -0.953681 0.21325 66.1461 -38.9557 203.063 35.4414 PRESSAVG: 192800 -51.1278 44.7229 -55.28 44.7229 29.5819 -13.7185 -55.2802 -13.7184 36.7623 GPRESSAVG: 192800 -51.7739 43.62 -53.2901 46.4281 31.0694 -15.0533 -55.9944 -13.7289 35.9695 TIMING: 192800 CPU: 575.57, 0.00298324/step Wall: 575.57, 0.00298324/step, 3.98362 hours remaining, 203.933594 MB of memory in use. ENERGY: 192800 728.0718 2069.2344 1968.8958 114.6196 -205908.6023 17734.0660 0.0000 0.0000 34289.9530 -149003.7617 299.4627 -183293.7147 -148911.5253 299.7800 -91.7623 -58.8847 558265.0831 5.0722 5.0883 PRESSURE: 193000 -174.006 20.6356 35.3144 20.6358 149.495 -151.359 35.3144 -151.359 -259.769 GPRESSURE: 193000 -98.8263 -32.7999 31.5868 18.5338 104.827 -145.846 85.0124 -101.653 -190.377 PRESSAVG: 193000 -54.5456 5.94837 -6.24777 5.94833 39.2167 11.7863 -6.24769 11.7864 5.97779 GPRESSAVG: 193000 -54.7001 8.04865 -7.98881 3.99818 37.8654 12.1102 -6.12835 13.1838 7.61102 TIMING: 193000 CPU: 576.163, 0.00296759/step Wall: 576.163, 0.00296759/step, 3.96256 hours remaining, 203.933594 MB of memory in use. ENERGY: 193000 770.8424 2054.2781 1925.9608 99.4534 -206050.5992 17791.3366 0.0000 0.0000 34252.8660 -149155.8618 299.1388 -183408.7279 -149058.0697 299.8539 -94.7602 -61.4588 556993.7624 -3.1170 -3.0745 PRESSURE: 193200 118.113 -29.7053 75.1744 -29.7048 -82.4176 26.518 75.1755 26.518 -359.246 GPRESSURE: 193200 161.221 -58.5323 -6.34462 -35.7079 -46.9398 33.4596 59.5357 -79.0454 -342.956 PRESSAVG: 193200 23.9623 -53.2323 50.5984 -53.2323 82.6598 -22.4136 50.5983 -22.4136 -16.4923 GPRESSAVG: 193200 23.2735 -55.5917 51.2627 -51.0752 84.0455 -23.0409 50.4349 -22.3149 -17.6609 TIMING: 193200 CPU: 576.754, 0.00295272/step Wall: 576.754, 0.00295272/step, 3.94253 hours remaining, 203.933594 MB of memory in use. ENERGY: 193200 750.1691 2085.4194 1933.5574 116.3060 -206189.9894 17805.1775 0.0000 0.0000 34210.0642 -149289.2959 298.7650 -183499.3601 -149190.6922 299.7083 -107.8503 -76.2250 558127.3871 30.0432 29.8860 PRESSURE: 193400 -214.225 -77.7832 68.1657 -77.7827 71.4709 -88.9505 68.165 -88.9497 -250.23 GPRESSURE: 193400 -211.404 -14.8855 17.2708 -4.53554 116.536 -42.7934 113.592 -101.012 -207.154 PRESSAVG: 193400 -36.5847 -4.53701 30.9635 -4.53704 44.3526 -19.827 30.9635 -19.8271 -35.3437 GPRESSAVG: 193400 -37.3704 -3.98722 30.1948 -6.72169 43.0568 -20.6934 32.4535 -21.3121 -33.9511 TIMING: 193400 CPU: 577.348, 0.00296836/step Wall: 577.348, 0.00296836/step, 3.96326 hours remaining, 203.933594 MB of memory in use. ENERGY: 193400 753.5763 2080.9613 1935.4813 114.4434 -206139.9063 17782.4650 0.0000 0.0000 34256.0871 -149216.8918 299.1669 -183472.9789 -149113.5871 299.2347 -130.9947 -100.6736 557467.0084 -9.1919 -9.4216 PRESSURE: 193600 -20.2921 -56.1108 -24.4552 -56.1106 -176.918 -24.5056 -24.4557 -24.5059 -54.2394 GPRESSURE: 193600 -24.1996 -65.8203 -135.05 -112.898 -135.379 -36.1516 -28.1326 7.8116 8.89384 PRESSAVG: 193600 -26.3735 6.64566 -17.8587 6.64568 44.4975 24.546 -17.8588 24.5461 -12.4384 GPRESSAVG: 193600 -26.0129 7.30023 -18.0036 6.18852 43.6367 25.5875 -17.8372 24.197 -11.8851 TIMING: 193600 CPU: 577.945, 0.00298781/step Wall: 577.945, 0.00298781/step, 3.98906 hours remaining, 203.933594 MB of memory in use. ENERGY: 193600 785.0854 2153.6621 1931.0836 98.4940 -206178.1350 17781.6954 0.0000 0.0000 34440.3061 -148987.8084 300.7758 -183428.1146 -148898.2211 299.7359 -83.8163 -50.2281 558960.9664 1.8952 1.9129 PRESSURE: 193800 97.8173 56.448 -99.8885 56.4483 82.7208 -0.454929 -99.8879 -0.45579 62.6695 GPRESSURE: 193800 134.624 -4.60771 -127.768 174.867 95.205 75.7769 -144.704 -71.1836 107.891 PRESSAVG: 193800 -35.0719 -59.9501 13.6194 -59.9501 2.22701 13.0411 13.6194 13.0412 11.7193 GPRESSAVG: 193800 -34.5332 -59.1661 14.7283 -58.6106 3.00858 11.3339 12.7009 14.4053 10.3097 TIMING: 193800 CPU: 578.54, 0.00297429/step Wall: 578.54, 0.00297429/step, 3.97084 hours remaining, 203.933594 MB of memory in use. ENERGY: 193800 737.1116 2107.5776 1912.8988 105.8430 -206036.6917 17740.1123 0.0000 0.0000 34335.4605 -149097.6879 299.8601 -183433.1485 -149006.8690 299.9634 81.0692 112.5733 558167.1987 -7.0419 -7.0716 PRESSURE: 194000 -45.2981 138.155 13.4466 138.153 232.918 111.949 13.4474 111.95 2.85579 GPRESSURE: 194000 -6.77642 184.223 46.1728 152.038 261.479 208.901 5.58907 53.0209 26.5857 PRESSAVG: 194000 -21.4192 3.43547 13.5462 3.43549 29.3577 47.5205 13.5462 47.5204 24.6005 GPRESSAVG: 194000 -20.9092 3.53491 13.5277 1.05324 28.5158 48.1898 14.2436 48.1033 24.1232 TIMING: 194000 CPU: 579.137, 0.00298376/step Wall: 579.137, 0.00298376/step, 3.98332 hours remaining, 203.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 194000 733.4258 2104.9175 1935.8440 102.3472 -205801.2812 17731.5823 0.0000 0.0000 34399.6174 -148793.5470 300.4204 -183193.1644 -148688.8885 299.9031 63.4918 93.7628 558477.7580 10.8463 10.5766 PRESSURE: 194200 -176.366 107.723 25.595 107.724 -60.5218 76.1941 25.5961 76.1933 -333.318 GPRESSURE: 194200 -174.951 130.785 48.5762 35.675 -34.1843 37.2688 79.2149 62.5498 -264.604 PRESSAVG: 194200 38.7574 -4.87317 2.82117 -4.87324 -24.3231 -9.84753 2.82117 -9.84743 8.7336 GPRESSAVG: 194200 38.1159 -4.5991 4.26098 -4.36619 -24.2312 -8.38574 -0.120878 -10.9607 9.97259 TIMING: 194200 CPU: 579.739, 0.00301392/step Wall: 579.739, 0.00301392/step, 4.02341 hours remaining, 203.933594 MB of memory in use. ENERGY: 194200 748.7594 2142.6189 1944.2853 112.5960 -206053.4220 17764.3562 0.0000 0.0000 34419.5544 -148921.2518 300.5945 -183340.8062 -148823.5979 299.9005 -190.0684 -157.9132 558912.1726 7.7226 7.9524 PRESSURE: 194400 -257.98 225.639 81.2136 225.639 -239.963 33.5668 81.2135 33.5657 -350.092 GPRESSURE: 194400 -270.16 247.709 34.0104 201.625 -176.999 9.35693 35.3027 70.8536 -304.113 PRESSAVG: 194400 -23.6488 18.275 -23.7919 18.275 23.6266 21.2692 -23.7919 21.2692 -29.5772 GPRESSAVG: 194400 -23.402 17.1707 -23.6008 19.5599 22.7716 19.5242 -22.9646 22.3195 -29.6821 TIMING: 194400 CPU: 580.335, 0.00297611/step Wall: 580.335, 0.00297611/step, 3.97278 hours remaining, 203.933594 MB of memory in use. ENERGY: 194400 795.3526 2067.2113 1903.7971 117.4277 -205324.5636 17317.1886 0.0000 0.0000 34336.4646 -148787.1216 299.8689 -183123.5863 -148690.7599 300.3535 -282.6783 -250.4240 558630.4956 -9.8665 -10.1042 PRESSURE: 194600 -133.454 -51.5036 -58.3638 -51.5052 -136.99 -41.8922 -58.3631 -41.8939 -19.8914 GPRESSURE: 194600 -109.384 -109.31 -127.638 -54.9871 -76.5898 -49.878 0.845518 -118.31 -10.1341 PRESSAVG: 194600 5.50861 -38.0692 41.1179 -38.0693 -8.91495 -22.3951 41.1179 -22.3951 -0.176459 GPRESSAVG: 194600 4.49992 -38.3857 38.6471 -38.1258 -7.68537 -24.5086 42.1524 -23.4886 -0.659691 TIMING: 194600 CPU: 580.929, 0.00297344/step Wall: 580.929, 0.00297344/step, 3.96904 hours remaining, 203.933594 MB of memory in use. ENERGY: 194600 765.9545 2086.0436 1921.0267 117.9307 -205693.2137 17658.2794 0.0000 0.0000 34361.7603 -148782.2185 300.0898 -183143.9788 -148683.7283 299.9088 -96.7784 -65.3693 558433.1800 -1.1943 -1.2817 PRESSURE: 194800 148.571 -73.0128 -75.2064 -73.0123 173.275 -98.8766 -75.2063 -98.8754 -84.2801 GPRESSURE: 194800 202.145 -72.9369 -65.5618 -45.9146 182.667 -26.4545 -136.875 -132.808 -47.1236 PRESSAVG: 194800 -56.5101 6.6648 35.4381 6.66481 72.2738 -1.86116 35.4381 -1.86126 19.6595 GPRESSAVG: 194800 -56.7262 9.25068 35.1623 4.53644 71.5193 0.614483 32.7124 -1.4152 20.2475 TIMING: 194800 CPU: 581.525, 0.00297938/step Wall: 581.525, 0.00297938/step, 3.97681 hours remaining, 203.933594 MB of memory in use. ENERGY: 194800 694.3570 2088.0204 1929.3553 108.5616 -205837.4818 17870.0245 0.0000 0.0000 34565.8274 -148581.3355 301.8720 -183147.1630 -148487.1655 300.3021 79.1888 112.5629 558451.5468 11.8077 11.6802 PRESSURE: 195000 -208.425 -140.005 -52.4913 -140.005 127.404 75.9549 -52.492 75.9546 82.2557 GPRESSURE: 195000 -141.273 -125.564 -18.5443 -163.878 151.704 36.2277 -88.7593 102.453 85.1416 PRESSAVG: 195000 -57.7129 1.88533 -13.0786 1.88524 22.4865 -30.3617 -13.0785 -30.3617 -12.0866 GPRESSAVG: 195000 -55.8953 0.532075 -11.5926 2.54041 21.7296 -30.1525 -10.9447 -29.3045 -12.426 TIMING: 195000 CPU: 582.121, 0.00298083/step Wall: 582.121, 0.00298083/step, 3.97858 hours remaining, 203.933594 MB of memory in use. ENERGY: 195000 743.4856 2046.2675 1921.6615 100.7058 -205496.0737 17746.5632 0.0000 0.0000 34516.4395 -148420.9507 301.4407 -182937.3902 -148318.5839 300.7735 0.4118 31.8574 558387.5447 -15.7710 -15.5306 PRESSURE: 195200 -278.185 0.937664 83.942 0.936684 -3.94353 -176.025 83.9417 -176.024 100.682 GPRESSURE: 195200 -270.134 -15.3363 82.4141 -31.5315 21.5533 -203.809 78.7333 -137.693 169.713 PRESSAVG: 195200 -21.7214 -34.7472 -55.2787 -34.7471 3.68138 -63.1669 -55.2786 -63.167 47.8209 GPRESSAVG: 195200 -22.8532 -34.6459 -54.6759 -35.6879 5.37272 -63.276 -56.6157 -64.9374 47.031 TIMING: 195200 CPU: 582.714, 0.00296057/step Wall: 582.714, 0.00296057/step, 3.95138 hours remaining, 203.933594 MB of memory in use. ENERGY: 195200 712.2051 2105.7565 1934.8932 112.5313 -205595.4819 17655.1112 0.0000 0.0000 34531.1617 -148543.8228 301.5692 -183074.9846 -148444.7539 301.5992 -60.4821 -26.2892 556917.3423 9.9270 9.8502 PRESSURE: 195400 -165.098 23.3944 -8.16402 23.3953 247.63 -9.42801 -8.16432 -9.42675 -0.917274 GPRESSURE: 195400 -145.259 -4.56507 3.05535 73.047 266.681 4.77555 63.8565 -12.3362 67.2937 PRESSAVG: 195400 -74.2006 -19.0734 29.4608 -19.0734 75.5111 -55.1541 29.4608 -55.154 33.9257 GPRESSAVG: 195400 -73.8076 -21.4187 27.1215 -16.0041 74.0969 -54.3999 30.7173 -53.9868 35.5629 TIMING: 195400 CPU: 583.309, 0.00297649/step Wall: 583.309, 0.00297649/step, 3.97246 hours remaining, 203.933594 MB of memory in use. ENERGY: 195400 727.5401 2049.6552 1925.0011 118.1518 -205871.3251 17829.2968 0.0000 0.0000 34589.0410 -148632.6392 302.0747 -183221.6802 -148533.9798 301.5597 27.2049 62.9052 558113.7939 11.7454 11.9507 PRESSURE: 195600 -9.41327 -12.4224 68.7564 -12.4229 -346.143 -131.274 68.7563 -131.275 -74.5677 GPRESSURE: 195600 18.1699 -71.5146 -79.5985 16.81 -310.554 -178.509 157.719 -159.394 -42.9782 PRESSAVG: 195600 -10.6366 -33.7731 9.2996 -33.7732 49.8847 -89.4357 9.29963 -89.4358 12.8292 GPRESSAVG: 195600 -9.87456 -30.9421 8.65791 -36.7382 50.7661 -89.9777 12.6453 -90.5437 10.9621 TIMING: 195600 CPU: 583.907, 0.00299253/step Wall: 583.907, 0.00299253/step, 3.9937 hours remaining, 203.933594 MB of memory in use. ENERGY: 195600 759.7619 2044.7823 1947.8935 116.0957 -205604.1447 17491.0788 0.0000 0.0000 34487.9558 -148756.5766 301.1919 -183244.5324 -148661.0063 301.4417 -143.3747 -111.7873 558011.5662 17.3591 17.2845 PRESSURE: 195800 104.783 64.5176 -19.7844 64.5176 -8.07965 320.054 -19.7845 320.053 377.451 GPRESSURE: 195800 139.176 18.3755 -45.6229 -5.04174 85.8743 208.15 -55.45 326.836 343.372 PRESSAVG: 195800 32.2034 62.1604 -27.1366 62.1605 -25.5134 -10.8512 -27.1367 -10.8511 41.3722 GPRESSAVG: 195800 30.9025 61.5172 -26.7816 61.8285 -25.1637 -11.9565 -28.9563 -12.1707 42.535 TIMING: 195800 CPU: 584.502, 0.00297377/step Wall: 584.502, 0.00297377/step, 3.9685 hours remaining, 203.933594 MB of memory in use. ENERGY: 195800 705.8820 2111.5276 1941.1390 116.2628 -205904.9955 17969.3324 0.0000 0.0000 34260.8908 -148799.9609 299.2089 -183060.8517 -148719.8752 300.5911 158.0515 189.4741 557762.0217 16.0207 16.0913 PRESSURE: 196000 -56.0731 19.4716 -70.3812 19.4709 -92.1333 -29.8757 -70.3807 -29.8744 -85.9145 GPRESSURE: 196000 -91.2693 -87.1643 -73.0008 43.0619 -66.2408 -97.4224 -108.974 19.037 10.5179 PRESSAVG: 196000 3.3583 -7.41914 -6.51558 -7.41919 10.7815 23.4865 -6.51563 23.4865 -10.4864 GPRESSAVG: 196000 4.25009 -7.25467 -5.0495 -5.82918 10.5096 24.6441 -8.01653 25.4226 -10.3635 TIMING: 196000 CPU: 585.1, 0.00298862/step Wall: 585.1, 0.00298862/step, 3.98814 hours remaining, 203.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 196000 728.1978 2114.4303 1942.7493 107.5179 -205679.8242 17458.9543 0.0000 0.0000 34502.9863 -148824.9882 301.3232 -183327.9745 -148723.8248 300.1358 -78.0403 -48.9974 557254.6541 1.2178 1.4654 PRESSURE: 196200 38.1356 -23.3011 -99.5257 -23.3007 388.291 -128.771 -99.5279 -128.772 -1.78385 GPRESSURE: 196200 115.575 -117.116 -99.5586 -91.214 325.205 -178.411 -62.5338 -110.94 82.8369 PRESSAVG: 196200 -10.4904 24.1822 22.4008 24.1822 38.4068 -55.5072 22.4009 -55.5073 -45.5889 GPRESSAVG: 196200 -10.1645 23.4119 23.1415 24.2151 38.0948 -54.3901 20.94 -55.9468 -45.4804 TIMING: 196200 CPU: 585.699, 0.00299395/step Wall: 585.699, 0.00299395/step, 3.99509 hours remaining, 203.933594 MB of memory in use. ENERGY: 196200 727.0433 2094.0856 1941.3809 118.6861 -206251.3705 17919.0305 0.0000 0.0000 34606.1823 -148844.9619 302.2244 -183451.1441 -148755.6681 300.6846 141.5475 174.5390 556284.3030 -5.8908 -5.8500 LDB: ============= START OF LOAD BALANCING ============== 589.254 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 589.254 LDB: =============== DONE WITH MIGRATION ================ 589.256 LDB: ============= START OF LOAD BALANCING ============== 589.56 LDB: Largest compute 4773 load 0.028306 is 24.0% of average load 0.118044 LDB: Average compute 0.001733 is 1.5% of average load 0.118044 LDB: TIME 589.562 LOAD: AVG 0.118044 MAX 0.205741 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.445 MB LDB: TIME 589.562 LOAD: AVG 0.118044 MAX 0.205741 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.504 MB LDB: TIME 589.563 LOAD: AVG 0.118044 MAX 0.205741 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 589.564 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 589.568 PRESSURE: 196400 -5.5371 156.792 -130.024 156.792 -193.986 117.284 -130.024 117.285 90.8912 GPRESSURE: 196400 -24.5909 203.362 -136.257 175.39 -123.85 108.944 -93.592 56.6031 142.926 PRESSAVG: 196400 25.1302 -27.9299 -62.6134 -27.9298 -31.1516 -28.289 -62.6134 -28.2889 52.361 GPRESSAVG: 196400 23.6642 -27.2157 -64.121 -28.0507 -29.7804 -31.1974 -57.6938 -26.8335 52.1319 TIMING: 196400 CPU: 586.319, 0.00310004/step Wall: 586.319, 0.00310004/step, 4.13649 hours remaining, 204.832031 MB of memory in use. ENERGY: 196400 767.8980 2076.7548 1944.6942 111.8784 -205773.9187 17719.9217 0.0000 0.0000 34196.8235 -148955.9480 298.6494 -183152.7715 -148864.1492 300.6616 -36.2106 -1.8383 559784.8124 15.4466 15.3386 PRESSURE: 196600 -95.5882 -64.9997 -21.2559 -64.9984 127.494 -57.0724 -21.2575 -57.0732 -80.7948 GPRESSURE: 196600 -38.6131 -234.27 17.4052 -23.1928 120.99 -100.755 -31.342 7.51146 -35.2943 PRESSAVG: 196600 64.1453 -14.5256 -89.0935 -14.5257 -54.7206 -7.72882 -89.0935 -7.72864 -28.7123 GPRESSAVG: 196600 64.5442 -15.3132 -90.4895 -13.2947 -56.0237 -5.60833 -90.3331 -8.18714 -27.8128 TIMING: 196600 CPU: 586.921, 0.00301163/step Wall: 586.921, 0.00301163/step, 4.01835 hours remaining, 205.074219 MB of memory in use. ENERGY: 196600 764.2358 2067.2821 1930.0279 116.8042 -206027.9907 17813.2239 0.0000 0.0000 34319.7808 -149016.6361 299.7232 -183336.4168 -148920.9107 299.6468 -16.2962 15.6940 558596.7069 -6.4292 -6.4308 PRESSURE: 196800 81.0892 -116.294 -93.9638 -116.293 115.519 -40.9266 -93.9638 -40.9274 33.734 GPRESSURE: 196800 142.277 -162.905 -98.0459 -71.1738 89.4206 37.8571 -83.3289 -33.4723 83.3669 PRESSAVG: 196800 -40.7591 -84.2309 -40.5456 -84.2309 59.2835 17.8625 -40.5456 17.8624 -48.917 GPRESSAVG: 196800 -41.6668 -84.4065 -39.6788 -84.5692 61.862 17.2679 -41.4055 17.412 -50.1524 TIMING: 196800 CPU: 587.524, 0.00301503/step Wall: 587.524, 0.00301503/step, 4.02271 hours remaining, 205.074219 MB of memory in use. ENERGY: 196800 761.3212 2088.5255 1903.9553 104.1403 -206212.9484 17937.4363 0.0000 0.0000 34343.6895 -149073.8803 299.9320 -183417.5698 -148977.1669 299.5340 76.7808 105.0216 559010.8548 -10.1309 -9.9857 PRESSURE: 197000 -190.942 -48.7664 48.7831 -48.7661 -28.5584 -176.726 48.7829 -176.726 162.564 GPRESSURE: 197000 -128.356 -32.7468 77.8543 -84.6549 -6.04537 -201.571 28.091 -146.123 186.598 PRESSAVG: 197000 -82.0098 28.041 -22.9978 28.0411 54.4071 31.7143 -22.9978 31.7143 49.7107 GPRESSAVG: 197000 -81.255 29.3894 -20.6645 26.2143 53.1182 30.6675 -24.57 33.5482 50.49 TIMING: 197000 CPU: 588.126, 0.0030125/step Wall: 588.126, 0.0030125/step, 4.01918 hours remaining, 205.074219 MB of memory in use. ENERGY: 197000 705.1761 2103.8945 1940.5630 107.3658 -205991.2801 17563.5284 0.0000 0.0000 34381.2326 -149189.5196 300.2599 -183570.7522 -149087.0324 299.8137 -18.9791 17.3988 558017.4913 7.3693 7.4510 PRESSURE: 197200 85.1882 107.226 -187.212 107.227 99.2876 -167.651 -187.211 -167.651 303.387 GPRESSURE: 197200 148.058 70.8012 -131.459 105.321 119.748 -129.104 -118.453 -134.395 311.473 PRESSAVG: 197200 -8.08519 5.6525 -15.9253 5.65249 12.395 -8.68623 -15.9253 -8.68625 23.3367 GPRESSAVG: 197200 -7.35589 6.03009 -18.8005 7.25002 13.0429 -6.67442 -13.8521 -10.8628 21.9868 TIMING: 197200 CPU: 588.729, 0.00301253/step Wall: 588.729, 0.00301253/step, 4.01906 hours remaining, 205.074219 MB of memory in use. ENERGY: 197200 702.0599 2115.1878 1928.8181 113.5992 -206119.8681 18090.5770 0.0000 0.0000 33889.6267 -149279.9994 295.9665 -183169.6261 -149190.3118 299.5119 162.6209 193.0929 558450.9740 9.2155 9.2246 PRESSURE: 197400 -37.4794 18.611 -34.9618 18.6125 67.52 26.8624 -34.9612 26.8632 105.777 GPRESSURE: 197400 4.45032 16.7305 58.5603 -50.5962 92.8596 -6.73029 -36.1773 -35.3332 129.929 PRESSAVG: 197400 -85.8717 -49.4145 14.3819 -49.4146 107.375 8.35703 14.3821 8.35693 3.82656 GPRESSAVG: 197400 -86.9645 -48.4465 16.0988 -51.0623 107.039 8.34979 14.2862 8.50249 5.44752 TIMING: 197400 CPU: 589.337, 0.0030412/step Wall: 589.337, 0.0030412/step, 4.05713 hours remaining, 205.074219 MB of memory in use. ENERGY: 197400 758.2317 2153.6534 1925.7061 103.4261 -206163.6150 17880.6827 0.0000 0.0000 34205.6338 -149136.2813 298.7263 -183341.9150 -149038.0870 299.2790 45.2725 75.7464 557515.2403 8.4434 8.5073 PRESSURE: 197600 -75.6816 117.5 71.5483 117.498 -25.5999 4.02086 71.5481 4.0211 -86.2347 GPRESSURE: 197600 4.10115 103.915 169.757 43.6769 -37.3004 6.06556 1.33021 79.71 -65.3899 PRESSAVG: 197600 -39.977 -25.7986 -50.2633 -25.7986 -20.3506 -25.9862 -50.2633 -25.9862 45.5247 GPRESSAVG: 197600 -38.766 -27.0019 -50.6324 -25.6742 -21.2566 -24.4261 -50.4104 -25.0943 44.9896 TIMING: 197600 CPU: 589.933, 0.00298087/step Wall: 589.933, 0.00298087/step, 3.97649 hours remaining, 205.074219 MB of memory in use. ENERGY: 197600 747.9503 2055.3603 1934.1012 99.4322 -206233.1846 17782.0477 0.0000 0.0000 34382.9222 -149231.3707 300.2746 -183614.2929 -149134.0515 299.0382 -62.5054 -32.8630 557824.9473 -4.9343 -5.0110 PRESSURE: 197800 16.5875 -13.6158 -142.757 -13.6177 -29.463 -17.9261 -142.758 -17.9261 -3.05988 GPRESSURE: 197800 72.7317 -38.5249 -172.092 -4.43167 3.47348 -0.783054 -57.8512 68.613 -2.69591 PRESSAVG: 197800 -13.5339 34.8419 -12.5329 34.842 13.09 -23.3567 -12.5329 -23.3568 7.75794 GPRESSAVG: 197800 -13.2824 35.1554 -12.5891 36.5245 13.0808 -25.7411 -13.6921 -24.5476 7.45959 TIMING: 197800 CPU: 590.529, 0.00297826/step Wall: 590.529, 0.00297826/step, 3.97283 hours remaining, 205.074219 MB of memory in use. ENERGY: 197800 733.4530 2102.5778 1938.6603 118.4669 -206366.6289 17896.8514 0.0000 0.0000 34305.9160 -149270.7035 299.6021 -183576.6195 -149174.2537 298.8109 -5.3118 24.5031 559049.6779 2.4380 2.4193 PRESSURE: 198000 69.3658 69.1426 -9.10881 69.1434 141.689 -88.3423 -9.10922 -88.3405 112.219 GPRESSURE: 198000 101.79 71.5289 37.307 57.0216 220.116 -176.336 -37.9641 -46.6521 98.4898 PRESSAVG: 198000 -7.27176 -46.6597 8.38983 -46.6597 -5.69347 -52.0527 8.38979 -52.0527 -0.506006 GPRESSAVG: 198000 -8.02895 -47.6461 7.79347 -48.1586 -5.39069 -52.7111 8.43578 -51.8665 0.507128 TIMING: 198000 CPU: 591.128, 0.00299463/step Wall: 591.128, 0.00299463/step, 3.9945 hours remaining, 205.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 198000 752.1822 2052.0730 1918.8113 104.4798 -206281.4372 18039.6431 0.0000 0.0000 34228.9343 -149185.3137 298.9298 -183414.2479 -149091.3171 298.9237 107.7579 140.1321 559066.3351 -4.4904 -4.3042 PRESSURE: 198200 4.25829 -9.60002 -168.926 -9.60054 27.7427 83.2378 -168.926 83.2357 244.194 GPRESSURE: 198200 -12.0605 -57.0294 -189.092 4.40517 79.8794 26.9165 -134.537 121.617 301.765 PRESSAVG: 198200 26.9607 2.78087 -16.4841 2.7808 -11.1994 15.6733 -16.4841 15.6735 -20.3491 GPRESSAVG: 198200 27.183 0.441414 -15.4141 4.40529 -11.3154 16.602 -18.456 16.0203 -20.9922 TIMING: 198200 CPU: 591.728, 0.00299889/step Wall: 591.728, 0.00299889/step, 4.00002 hours remaining, 205.074219 MB of memory in use. ENERGY: 198200 701.8945 2075.9383 1953.5587 110.8914 -205975.1606 17867.0072 0.0000 0.0000 34139.0268 -149126.8438 298.1446 -183265.8705 -149031.6008 298.4746 92.0649 123.1946 558109.2075 -1.5293 -1.7082 PRESSURE: 198400 155.594 -222.699 -32.6208 -222.698 81.4192 -30.4126 -32.6198 -30.4112 -167.523 GPRESSURE: 198400 129.244 -216.505 -12.3662 -248.83 101.66 -102.574 -31.8003 92.7927 -68.582 PRESSAVG: 198400 36.4427 -29.4611 -67.9087 -29.461 14.5306 9.50845 -67.9087 9.50845 -45.1593 GPRESSAVG: 198400 36.1801 -25.2939 -66.7249 -31.3735 15.1486 9.75401 -66.2765 10.3246 -45.3725 TIMING: 198400 CPU: 592.332, 0.00302266/step Wall: 592.332, 0.00302265/step, 4.03155 hours remaining, 205.074219 MB of memory in use. ENERGY: 198400 755.2036 2074.7517 1913.5063 100.0883 -206110.7155 17889.6621 0.0000 0.0000 34127.9168 -149249.5869 298.0476 -183377.5037 -149155.1771 298.4101 23.1634 54.1074 557759.0221 1.9380 1.9854 PRESSURE: 198600 78.941 -24.7094 39.377 -24.7109 -161.5 -94.221 39.3775 -94.2202 -129.279 GPRESSURE: 198600 134.691 -122.632 134.467 17.2017 -114.026 -81.6691 5.83878 -187.467 -139.448 PRESSAVG: 198600 2.47326 -12.0762 -35.5058 -12.0762 31.1722 -23.6715 -35.5058 -23.6715 -53.1037 GPRESSAVG: 198600 2.80874 -14.6329 -39.2329 -11.3528 31.1456 -22.7323 -33.1777 -25.3398 -53.205 TIMING: 198600 CPU: 592.936, 0.00301876/step Wall: 592.936, 0.00301876/step, 4.02619 hours remaining, 205.074219 MB of memory in use. ENERGY: 198600 766.8242 2106.9921 1917.7278 111.1556 -206213.7843 17735.5060 0.0000 0.0000 34225.8712 -149349.7074 298.9030 -183575.5786 -149256.8313 298.6296 -70.6125 -39.5945 557882.3211 -6.4861 -6.4169 PRESSURE: 198800 -9.26808 -209.096 -45.8793 -209.097 4.78208 107.576 -45.8801 107.576 -59.008 GPRESSURE: 198800 11.8084 -227.661 47.6607 -127.252 30.757 124.819 -19.9855 155.266 -10.2573 PRESSAVG: 198800 -39.0522 -10.633 -44.3124 -10.6329 62.8542 3.94623 -44.3123 3.94617 -17.6301 GPRESSAVG: 198800 -37.7056 -9.93876 -43.8007 -10.1241 61.6263 3.01849 -45.0262 4.86507 -17.8342 TIMING: 198800 CPU: 593.538, 0.00301118/step Wall: 593.538, 0.00301118/step, 4.01591 hours remaining, 205.074219 MB of memory in use. ENERGY: 198800 777.6016 2105.6634 1944.3179 122.5643 -206263.2116 17812.0066 0.0000 0.0000 34370.8200 -149130.2378 300.1689 -183501.0578 -149032.4382 299.2151 -21.1647 10.7694 558475.9115 2.0573 2.0288 PRESSURE: 199000 -33.7576 -116.937 27.8818 -116.937 -412.975 -0.955804 27.8823 -0.957497 65.8091 GPRESSURE: 199000 -25.97 -57.8839 -70.0252 -178.796 -372.408 -54.7347 48.0971 -0.0922159 112.509 PRESSAVG: 199000 -0.764711 -4.56474 -62.1721 -4.56475 -51.4329 49.7453 -62.1722 49.7453 48.6066 GPRESSAVG: 199000 -1.58274 -3.04335 -61.9834 -5.68419 -49.7991 49.3384 -61.5978 49.6739 48.4602 TIMING: 199000 CPU: 594.135, 0.00298436/step Wall: 594.135, 0.00298436/step, 3.97997 hours remaining, 205.074219 MB of memory in use. ENERGY: 199000 749.8085 2042.2284 1949.5849 104.4550 -205866.3716 17743.4666 0.0000 0.0000 34183.2940 -149093.5343 298.5312 -183276.8283 -148996.5108 299.1183 -126.9745 -95.2896 559213.1089 -1.1970 -0.9739 PRESSURE: 199200 -164.19 -18.4484 -119.671 -18.4485 -88.8138 -12.8092 -119.671 -12.8078 67.7117 GPRESSURE: 199200 -120.992 -11.1885 -119.195 -79.7736 -85.2866 4.14293 -115.229 -100.548 103.107 PRESSAVG: 199200 0.873664 13.5324 -57.7256 13.5324 -24.1181 32.1021 -57.7256 32.1023 -5.25896 GPRESSAVG: 199200 0.640566 12.7974 -56.8298 14.4688 -24.8805 32.4705 -58.1655 31.223 -4.18488 TIMING: 199200 CPU: 594.731, 0.00297833/step Wall: 594.731, 0.00297833/step, 3.97177 hours remaining, 205.074219 MB of memory in use. ENERGY: 199200 744.2678 2143.3111 1936.0121 113.3851 -205897.0948 17785.0507 0.0000 0.0000 34230.7192 -148944.3489 298.9454 -183175.0681 -148851.2175 299.3342 -61.7640 -34.3906 559528.1060 -9.5011 -9.4749 PRESSURE: 199400 -296.663 6.46348 -20.079 6.46232 -130.958 21.1469 -20.0778 21.1492 -84.1951 GPRESSURE: 199400 -295.333 -24.6006 25.5722 34.4588 -48.1262 37.1186 -91.8365 118.243 -64.4255 PRESSAVG: 199400 32.6055 38.3759 -41.3982 38.3758 -26.0331 26.556 -41.3982 26.5559 -19.5379 GPRESSAVG: 199400 32.4932 37.7948 -41.395 38.2139 -26.5145 23.5289 -42.3799 29.5004 -18.8258 TIMING: 199400 CPU: 595.326, 0.00297629/step Wall: 595.326, 0.00297629/step, 3.96888 hours remaining, 205.074219 MB of memory in use. ENERGY: 199400 748.1773 2142.0444 1964.5792 110.5682 -205861.4787 17584.4010 0.0000 0.0000 34377.6381 -148934.0705 300.2285 -183311.7087 -148833.9534 300.1035 -170.6052 -135.9614 560148.7055 -4.3218 -4.2824 PRESSURE: 199600 -202.686 -11.5425 44.9498 -11.5418 -200.302 31.2423 44.9503 31.2418 -74.5818 GPRESSURE: 199600 -98.9123 1.48754 136.114 25.378 -173.87 44.4095 -12.8619 -22.8019 -106.409 PRESSAVG: 199600 -30.3528 11.0412 9.64579 11.0411 -10.9392 70.0848 9.64583 70.0848 22.7181 GPRESSAVG: 199600 -29.2762 11.5606 10.782 11.1654 -10.4263 72.0456 8.33049 68.6959 20.7004 TIMING: 199600 CPU: 595.921, 0.00297264/step Wall: 595.921, 0.00297265/step, 3.96386 hours remaining, 205.074219 MB of memory in use. ENERGY: 199600 739.0904 2113.3133 1951.4891 116.3993 -205946.0591 17691.6046 0.0000 0.0000 34272.0870 -149062.0754 299.3067 -183334.1624 -148959.5524 299.7775 -159.1899 -126.3973 560192.2423 -6.1913 -6.3340 PRESSURE: 199800 -60.5553 103.546 38.3766 103.546 128.65 -107.184 38.3768 -107.184 -244.472 GPRESSURE: 199800 -25.4765 67.552 54.1184 35.9287 185.897 -84.1654 63.4429 -108.736 -237.151 PRESSAVG: 199800 20.2822 -4.88814 41.3058 -4.88817 -24.9158 -9.51478 41.3058 -9.51474 6.38963 GPRESSAVG: 199800 19.271 -4.4996 39.5404 -4.78667 -23.5239 -9.48698 44.7491 -9.51107 6.2933 TIMING: 199800 CPU: 596.517, 0.00298132/step Wall: 596.517, 0.00298132/step, 3.97526 hours remaining, 205.074219 MB of memory in use. ENERGY: 199800 765.0497 2104.3986 1929.5609 110.9527 -205872.5216 17706.2418 0.0000 0.0000 34182.4162 -149073.9017 298.5235 -183256.3178 -148973.7746 299.9476 -58.7926 -25.5770 558305.1975 0.5853 0.6801 PRESSURE: 200000 140.336 -111.999 55.3083 -111.999 -66.1277 -35.4192 55.3091 -35.4215 19.8956 GPRESSURE: 200000 188.069 -228.436 177.99 -69.8687 -8.04657 -30.0321 30.9886 1.07391 5.84233 PRESSAVG: 200000 -30.0165 46.8045 27.6651 46.8046 15.3253 -4.192 27.6651 -4.19212 -6.7615 GPRESSAVG: 200000 -29.1579 46.8491 28.9916 45.9454 14.8353 -4.86775 25.1791 -3.03947 -6.48676 TIMING: 200000 CPU: 597.12, 0.00301748/step Wall: 597.12, 0.00301748/step, 4.0233 hours remaining, 205.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 200000 764.0531 2144.6334 1969.9552 106.7889 -206074.7782 17665.6727 0.0000 0.0000 34247.7971 -149175.8776 299.0945 -183423.6748 -149081.7688 300.3963 31.3679 61.9550 556328.5435 -7.1509 -6.9365 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 200000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 200000 WRITING COORDINATES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART COORDINATES The last position output (seq=200000) takes 0.009 seconds, 205.074 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=200000) takes 0.004 seconds, 206.363 MB of memory in use PRESSURE: 200200 -127.174 -140.825 219.389 -140.825 94.3563 -27.4537 219.389 -27.4535 -134.709 GPRESSURE: 200200 -129.154 -84.9683 141.421 -210.216 116.265 17.6164 158.761 87.9183 -60.4547 PRESSAVG: 200200 4.77049 -34.0229 -5.47283 -34.0228 63.5545 48.4553 -5.47289 48.4554 -48.9403 GPRESSAVG: 200200 5.85192 -34.598 -6.82712 -32.2674 62.6282 50.5898 -5.2405 47.4761 -49.14 TIMING: 200200 CPU: 597.727, 0.00303559/step Wall: 597.727, 0.00303559/step, 4.04728 hours remaining, 206.566406 MB of memory in use. ENERGY: 200200 739.5946 2154.5183 1914.7048 115.5712 -206189.5684 17661.3348 0.0000 0.0000 34434.2232 -149169.6214 300.7226 -183603.8447 -149063.8388 299.5466 -55.8421 -24.4476 557121.4688 6.4616 6.4467 LDB: ============= START OF LOAD BALANCING ============== 601.275 LDB: ============== END OF LOAD BALANCING =============== 601.276 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 601.277 LDB: ============= START OF LOAD BALANCING ============== 601.577 LDB: Largest compute 4773 load 0.029387 is 24.9% of average load 0.117872 LDB: Average compute 0.001736 is 1.5% of average load 0.117872 LDB: TIME 601.58 LOAD: AVG 0.117872 MAX 0.206571 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.277 MB LDB: TIME 601.58 LOAD: AVG 0.117872 MAX 0.206571 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.312 MB LDB: TIME 601.58 LOAD: AVG 0.117872 MAX 0.206571 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.312 MB LDB: ============== END OF LOAD BALANCING =============== 601.582 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 601.586 PRESSURE: 200400 -198.946 84.4822 13.9839 84.4823 -333.721 -10.3037 13.9838 -10.3037 -83.5237 GPRESSURE: 200400 -200.255 72.066 75.204 13.4973 -275.804 -126.614 -40.7534 73.5988 -48.5319 PRESSAVG: 200400 21.1049 9.63868 -32.6516 9.63873 -55.3263 -18.8084 -32.6516 -18.8086 20.3248 GPRESSAVG: 200400 19.6059 9.93041 -33.3218 7.64031 -54.2411 -18.6305 -34.0413 -18.7061 20.462 TIMING: 200400 CPU: 598.336, 0.00304221/step Wall: 598.336, 0.00304221/step, 4.05594 hours remaining, 205.890625 MB of memory in use. ENERGY: 200400 771.1841 2057.1122 1959.4430 115.8802 -206003.7243 17534.3746 0.0000 0.0000 34336.6721 -149229.0580 299.8707 -183565.7301 -149137.8293 299.4249 -205.3969 -174.8639 557965.1720 -4.6322 -4.7244 PRESSURE: 200600 -343.768 -103.389 128.801 -103.389 -62.5465 -51.1754 128.801 -51.1769 -56.4244 GPRESSURE: 200600 -273.376 -99.2276 104.964 44.6808 -92.2327 47.949 114.124 -94.8393 -4.98551 PRESSAVG: 200600 29.129 -10.3321 1.19722 -10.3321 -27.3686 19.229 1.19716 19.2289 48.0884 GPRESSAVG: 200600 29.3715 -11.2031 1.70591 -7.93317 -28.725 18.0428 2.6657 19.2635 48.7286 TIMING: 200600 CPU: 598.934, 0.00299014/step Wall: 598.934, 0.00299014/step, 3.98635 hours remaining, 205.890625 MB of memory in use. ENERGY: 200600 704.8760 2112.0844 1954.1143 108.7641 -206163.5276 17545.2585 0.0000 0.0000 34390.0434 -149348.3869 300.3368 -183738.4304 -149250.0631 299.4372 -154.2463 -123.5313 557862.0397 16.6163 16.4584 PRESSURE: 200800 -13.8651 -73.3309 -38.846 -73.3307 -22.7615 -73.6995 -38.8461 -73.6993 -56.591 GPRESSURE: 200800 20.3416 -53.0916 27.0886 -136.109 41.9409 -106.984 -71.3506 -42.085 -54.791 PRESSAVG: 200800 -10.2842 -54.5486 64.8183 -54.5486 27.6083 -53.0088 64.8183 -53.0087 -36.1812 GPRESSAVG: 200800 -11.8816 -53.7745 64.6078 -57.2738 28.3144 -53.0827 66.3682 -51.6947 -36.1984 TIMING: 200800 CPU: 599.534, 0.00300169/step Wall: 599.534, 0.00300169/step, 4.00159 hours remaining, 205.953125 MB of memory in use. ENERGY: 200800 792.3447 2141.1892 1949.8061 94.0791 -206239.9829 17777.8853 0.0000 0.0000 34295.6721 -149189.0064 299.5126 -183484.6785 -149091.4330 299.4967 -31.0726 2.4972 557321.7659 -6.2857 -6.5885 PRESSURE: 201000 -53.6289 -75.1916 -105.351 -75.1925 -215.374 -18.9947 -105.35 -18.9944 28.9034 GPRESSURE: 201000 25.8234 -77.6709 -32.7862 -83.047 -231.832 1.45727 -199.453 -37.631 63.9483 PRESSAVG: 201000 46.6667 -25.6115 32.2183 -25.6114 4.9915 -1.9682 32.2184 -1.9681 -43.6532 GPRESSAVG: 201000 48.1297 -26.8976 31.4362 -24.3449 4.43137 -2.18372 31.3785 -1.62821 -44.4541 TIMING: 201000 CPU: 600.131, 0.00298573/step Wall: 600.131, 0.00298573/step, 3.98014 hours remaining, 205.953125 MB of memory in use. ENERGY: 201000 746.3956 2114.0782 1940.7774 119.2662 -206024.3216 17526.9301 0.0000 0.0000 34346.5313 -149230.3427 299.9568 -183576.8740 -149141.2884 299.4379 -80.0333 -47.3534 555889.3058 2.6683 2.7023 PRESSURE: 201200 5.80654 -52.5912 158.029 -52.5911 -52.9911 7.86557 158.029 7.86608 107.954 GPRESSURE: 201200 102.55 23.4001 141.476 4.50389 -49.0835 34.8123 163.335 39.2681 96.5441 PRESSAVG: 201200 19.716 2.48915 49.229 2.48912 -40.7204 30.8847 49.229 30.8846 22.8926 GPRESSAVG: 201200 19.617 3.12012 49.3647 3.33395 -39.6525 32.434 49.2039 30.6832 21.7791 TIMING: 201200 CPU: 600.732, 0.00300499/step Wall: 600.732, 0.00300499/step, 4.00565 hours remaining, 206.078125 MB of memory in use. ENERGY: 201200 755.2817 2077.7008 1932.0943 111.5144 -206211.3134 17821.2942 0.0000 0.0000 34418.0884 -149095.3396 300.5817 -183513.4280 -149003.6650 299.9028 20.2566 50.0034 555372.6400 0.6294 0.5812 PRESSURE: 201400 -131.313 -45.0857 93.5068 -45.0852 -390.338 9.18118 93.5071 9.18139 -293.899 GPRESSURE: 201400 -118.365 -60.2271 130.475 12.271 -352.837 -38.7715 61.3958 4.45611 -256.401 PRESSAVG: 201400 54.2004 -56.1041 50.8291 -56.104 -8.60309 -4.30259 50.8292 -4.30245 -41.1974 GPRESSAVG: 201400 53.9968 -57.7829 50.0439 -56.2296 -8.81929 -5.68813 51.3748 -5.18715 -40.8599 TIMING: 201400 CPU: 601.334, 0.0030063/step Wall: 601.334, 0.0030063/step, 4.00724 hours remaining, 206.078125 MB of memory in use. ENERGY: 201400 772.0519 2146.8691 1935.1182 111.9254 -205485.6794 17186.9167 0.0000 0.0000 34372.1702 -148960.6277 300.1807 -183332.7980 -148866.2506 299.6808 -271.8502 -242.5343 555384.1231 1.4667 1.4392 PRESSURE: 201600 -62.3373 -70.3713 64.0565 -70.3702 174.866 -23.5607 64.0579 -23.5606 34.2452 GPRESSURE: 201600 -38.7652 -117.946 -33.8116 9.27472 220.259 -5.78851 83.5725 -11.5387 42.1003 PRESSAVG: 201600 -38.5543 -9.65853 -58.1914 -9.65849 -49.1951 8.95247 -58.1914 8.95252 50.8617 GPRESSAVG: 201600 -39.2447 -9.18017 -56.745 -10.2204 -48.8471 9.49891 -59.4157 7.21109 50.8649 TIMING: 201600 CPU: 601.931, 0.0029864/step Wall: 601.931, 0.0029864/step, 3.98054 hours remaining, 206.078125 MB of memory in use. ENERGY: 201600 760.0206 2100.0449 1918.3985 105.6236 -205962.3627 17911.3691 0.0000 0.0000 34438.8321 -148728.0738 300.7629 -183166.9060 -148629.4485 299.8162 48.9246 74.5315 556397.1701 -12.2959 -12.4090 PRESSURE: 201800 116.951 0.777432 72.27 0.777637 -61.8689 -23.9448 72.2701 -23.9452 -50.8418 GPRESSURE: 201800 84.8734 44.7692 4.81861 -23.288 -7.51372 -17.9278 -56.7472 16.7984 9.3309 PRESSAVG: 201800 -42.5953 25.6499 17.5384 25.6499 87.5036 9.72676 17.5385 9.72679 -64.5592 GPRESSAVG: 201800 -41.484 27.138 19.4501 25.5278 85.9232 7.544 17.3923 11.7299 -64.745 TIMING: 201800 CPU: 602.526, 0.00297608/step Wall: 602.526, 0.00297608/step, 3.96661 hours remaining, 206.078125 MB of memory in use. ENERGY: 201800 715.2793 2039.1574 1929.0098 120.5325 -205841.3911 17707.0800 0.0000 0.0000 34399.2481 -148931.0838 300.4172 -183330.3319 -148835.1429 300.7790 1.4133 28.8969 557597.9749 -6.5503 -6.7686 PRESSURE: 202000 44.5033 -25.3352 -30.292 -25.3358 81.2334 -20.5828 -30.2913 -20.5827 -327.468 GPRESSURE: 202000 66.1887 -29.1111 -69.1068 -92.4374 138.412 48.4142 71.064 -37.9891 -309.558 PRESSAVG: 202000 0.0254273 -47.4931 9.70706 -47.4932 -15.7571 40.6346 9.7071 40.6346 10.3303 GPRESSAVG: 202000 -0.162014 -49.7804 7.24406 -47.7235 -15.347 40.3569 11.9108 42.0511 10.2087 TIMING: 202000 CPU: 603.12, 0.00296849/step Wall: 603.12, 0.00296849/step, 3.95633 hours remaining, 206.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 202000 735.6406 2059.9509 1938.6957 101.8090 -206082.2225 17815.9804 0.0000 0.0000 34457.2849 -148972.8611 300.9240 -183430.1460 -148878.5693 299.8119 -67.2439 -34.9857 557861.0621 -1.8005 -1.7668 PRESSURE: 202200 -92.7796 68.8602 25.985 68.8605 -189.339 147.183 25.9858 147.182 96.2761 GPRESSURE: 202200 -60.3365 10.0582 13.2784 -8.34625 -159.65 102.884 48.716 115.664 131.738 PRESSAVG: 202200 74.8966 12.4763 -8.21452 12.4764 -64.7263 30.8294 -8.21446 30.8294 14.8824 GPRESSAVG: 202200 74.2279 13.846 -9.78587 12.1852 -63.7317 33.5535 -9.32529 27.2974 14.4281 TIMING: 202200 CPU: 603.717, 0.00298797/step Wall: 603.717, 0.00298797/step, 3.98214 hours remaining, 206.078125 MB of memory in use. ENERGY: 202200 719.4477 2093.1051 1922.8239 115.4450 -205997.7772 17673.8858 0.0000 0.0000 34362.4567 -149110.6129 300.0959 -183473.0696 -149009.8539 300.8129 -61.9475 -29.4163 558073.4541 8.3509 8.3081 PRESSURE: 202400 -344.297 -18.3067 -69.7028 -18.3068 -56.2647 13.8373 -69.7032 13.8376 -162.848 GPRESSURE: 202400 -334.482 -4.43025 -85.6835 16.4538 -46.5696 14.7952 -87.2272 77.2166 -96.8193 PRESSAVG: 202400 -87.2572 -5.56145 31.9482 -5.56143 39.164 -39.3924 31.9482 -39.3923 1.28437 GPRESSAVG: 202400 -87.3593 -5.45738 34.2025 -4.13462 37.5727 -39.9155 32.525 -37.9973 3.09486 TIMING: 202400 CPU: 604.312, 0.00297068/step Wall: 604.312, 0.00297068/step, 3.95892 hours remaining, 206.078125 MB of memory in use. ENERGY: 202400 755.1063 2091.5399 1955.2204 96.4192 -205548.1082 17308.2484 0.0000 0.0000 34178.2235 -149163.3507 298.4869 -183341.5742 -149073.6629 299.5649 -187.8031 -159.2904 557941.4189 -15.6030 -15.5639 PRESSURE: 202600 2.16648 -18.1001 66.8844 -18.0988 -190.008 -243.401 66.8845 -243.402 -137.419 GPRESSURE: 202600 -0.108316 -70.8524 45.5117 -10.7592 -124 -243.775 151.128 -162.029 -97.4543 PRESSAVG: 202600 -0.0196634 6.19751 20.6522 6.19752 -31.2896 -49.5781 20.6522 -49.5781 44.4391 GPRESSAVG: 202600 0.172744 6.69216 18.408 5.17628 -30.5218 -49.9128 21.5268 -49.5711 44.0135 TIMING: 202600 CPU: 604.911, 0.00299522/step Wall: 604.911, 0.00299522/step, 3.99147 hours remaining, 206.078125 MB of memory in use. ENERGY: 202600 787.9949 2103.4231 1945.1920 108.7537 -206056.1941 17765.1608 0.0000 0.0000 34312.7929 -149032.8767 299.6622 -183345.6696 -148939.9535 299.8989 -108.4203 -73.8542 557552.8202 4.3766 4.5548 PRESSURE: 202800 -29.4804 61.1677 4.95477 61.1671 -17.7967 155.426 4.95443 155.423 -186.684 GPRESSURE: 202800 -54.9554 95.1402 -43.5202 62.8662 8.43648 119.839 17.3308 242.623 -92.5611 PRESSAVG: 202800 45.5776 -61.8972 61.3685 -61.8972 -8.62415 10.8854 61.3685 10.8854 -1.99123 GPRESSAVG: 202800 45.5485 -64.7025 62.6902 -61.8757 -8.01349 10.4138 60.367 13.3923 -2.91515 TIMING: 202800 CPU: 605.507, 0.00298156/step Wall: 605.507, 0.00298156/step, 3.97309 hours remaining, 206.078125 MB of memory in use. ENERGY: 202800 735.4660 2060.0835 1928.8215 115.5924 -206131.1470 17808.0165 0.0000 0.0000 34439.9957 -149043.1711 300.7730 -183483.1669 -148944.9170 299.8094 -77.9870 -46.3600 558340.1618 11.6541 11.5400 PRESSURE: 203000 194.687 79.379 135.853 79.3776 239.234 -5.37498 135.852 -5.37497 -64.9347 GPRESSURE: 203000 202.782 96.6771 79.2628 52.1399 268.526 -32.0659 123.388 -13.4508 -5.8055 PRESSAVG: 203000 -56.737 33.8046 26.6409 33.8046 10.1942 39.0774 26.6409 39.0773 38.2914 GPRESSAVG: 203000 -58.136 34.5297 25.5782 34.2271 9.28619 39.1947 28.6002 37.9693 40.4347 TIMING: 203000 CPU: 606.097, 0.00295271/step Wall: 606.097, 0.00295271/step, 3.93449 hours remaining, 206.078125 MB of memory in use. ENERGY: 203000 723.5165 2028.2098 1950.8919 107.0747 -205885.1479 17838.0530 0.0000 0.0000 34161.9780 -149075.4240 298.3451 -183237.4020 -148971.5581 299.7366 122.9955 155.1674 558446.5853 -2.7505 -2.8051 PRESSURE: 203200 -233.32 -2.19822 24.1328 -2.19828 75.7128 -112.696 24.1336 -112.698 237.508 GPRESSURE: 203200 -197.014 2.16874 -8.63241 -7.71962 114.115 -8.17279 18.2925 -123.56 259.714 PRESSAVG: 203200 48.9384 44.6627 -31.0248 44.6628 -46.4041 -20.5676 -31.0248 -20.5676 20.1965 GPRESSAVG: 203200 49.5236 45.7481 -30.0058 42.9849 -46.4213 -21.3694 -33.2706 -18.8312 19.2583 TIMING: 203200 CPU: 606.695, 0.00298968/step Wall: 606.695, 0.00298968/step, 3.98359 hours remaining, 206.078125 MB of memory in use. ENERGY: 203200 760.7710 2101.5863 1936.8420 121.1956 -206506.8163 18070.4085 0.0000 0.0000 34292.0278 -149223.9851 299.4808 -183516.0129 -149132.4447 300.1426 26.6336 58.9385 556436.1905 7.5770 7.4535 PRESSURE: 203400 -120.22 -67.625 -23.6395 -67.6253 -113.889 31.4279 -23.6395 31.428 215.202 GPRESSURE: 203400 -39.9312 -71.0779 -72.4365 -56.148 -70.9038 9.25435 -53.6363 43.845 187.061 PRESSAVG: 203400 -24.5629 -10.7968 18.1769 -10.7968 -32.4954 -22.168 18.1767 -22.168 81.4297 GPRESSAVG: 203400 -24.5906 -11.9468 18.1462 -10.576 -31.9189 -19.5275 19.8858 -26.3871 80.3842 TIMING: 203400 CPU: 607.292, 0.00298329/step Wall: 607.292, 0.00298329/step, 3.9749 hours remaining, 206.078125 MB of memory in use. ENERGY: 203400 737.4704 2036.4517 1926.0296 107.7989 -205938.2820 17691.0034 0.0000 0.0000 34126.4044 -149313.1237 298.0344 -183439.5280 -149223.7705 299.2230 -6.3026 25.4088 558026.9087 8.1238 7.9582 PRESSURE: 203600 -28.7349 159.279 37.4041 159.28 -70.2914 75.5008 37.4035 75.5018 -51.3264 GPRESSURE: 203600 -27.0937 201.431 64.0537 75.6007 -24.4876 137.063 -6.60781 15.3677 -8.29146 PRESSAVG: 203600 -53.6823 17.2034 -22.0039 17.2033 44.5462 6.8237 -22.0039 6.82371 37.7474 GPRESSAVG: 203600 -53.2656 19.3837 -22.869 19.7279 43.9288 5.54582 -22.8179 8.41972 37.6812 TIMING: 203600 CPU: 607.887, 0.00297551/step Wall: 607.887, 0.00297551/step, 3.96438 hours remaining, 206.078125 MB of memory in use. ENERGY: 203600 718.3629 2129.5264 1905.7158 112.1007 -206169.1481 17836.1522 0.0000 0.0000 34228.7635 -149238.5265 298.9283 -183467.2901 -149145.8261 298.9737 -50.1176 -19.9576 557687.0211 9.5371 9.4481 PRESSURE: 203800 -138.352 28.6595 -124.604 28.6594 186.726 -102.169 -124.605 -102.17 -104.536 GPRESSURE: 203800 -117.313 31.4575 -98.2798 -34.6744 194.634 -87.142 -39.5525 -52.8878 -38.5945 PRESSAVG: 203800 28.0983 26.5555 26.1938 26.5554 -6.67309 47.2723 26.1938 47.2722 -30.2291 GPRESSAVG: 203800 28.0246 27.2356 28.2671 24.2994 -6.35712 48.8708 26.0315 44.1098 -30.4989 TIMING: 203800 CPU: 608.487, 0.00299807/step Wall: 608.487, 0.00299807/step, 3.99426 hours remaining, 206.078125 MB of memory in use. ENERGY: 203800 743.3123 2076.9722 1916.8868 98.2569 -206100.5569 17841.2972 0.0000 0.0000 34198.7101 -149225.1214 298.6658 -183423.8315 -149128.4803 298.7967 -18.7206 12.9090 557617.6163 -2.9346 -2.9438 PRESSURE: 204000 154.846 56.9875 87.2192 56.9874 0.130334 79.136 87.2177 79.135 -15.133 GPRESSURE: 204000 139.91 12.0229 77.6159 76.5674 -0.215074 81.002 61.5047 78.8446 106.418 PRESSAVG: 204000 65.0842 41.1926 19.4576 41.1926 -20.962 9.22218 19.4576 9.2221 -46.6334 GPRESSAVG: 204000 63.2064 37.9384 16.9009 44.0816 -19.9184 9.22983 20.2396 11.3234 -45.6718 TIMING: 204000 CPU: 609.091, 0.00302104/step Wall: 609.091, 0.00302104/step, 4.0247 hours remaining, 206.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 204000 791.3622 2070.7021 1910.6064 120.4707 -206105.6553 17802.5837 0.0000 0.0000 34144.0467 -149265.8837 298.1885 -183409.9303 -149175.0063 299.1032 46.6144 82.0377 555747.3002 -0.8371 -0.7946 PRESSURE: 204200 6.35647 21.2601 78.3321 21.2599 93.2289 131.592 78.3311 131.592 150.237 GPRESSURE: 204200 28.8941 -30.3763 68.8874 -57.0434 115.677 168.207 72.0674 86.4689 203.588 PRESSAVG: 204200 -67.3079 74.0228 34.6888 74.0227 63.64 50.0035 34.6888 50.0035 3.46468 GPRESSAVG: 204200 -65.2974 74.0371 35.7054 72.0671 62.9952 48.2984 33.3435 51.9739 2.44419 TIMING: 204200 CPU: 609.693, 0.00300989/step Wall: 609.693, 0.00300989/step, 4.00967 hours remaining, 206.078125 MB of memory in use. ENERGY: 204200 726.5647 2128.3938 1933.6421 111.5193 -206527.4283 18021.8070 0.0000 0.0000 34354.5830 -149250.9184 300.0271 -183605.5014 -149149.4522 299.8239 83.2743 116.0531 557349.2578 -0.0677 0.0473 LDB: ============= START OF LOAD BALANCING ============== 613.245 LDB: ============== END OF LOAD BALANCING =============== 613.246 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 613.247 LDB: ============= START OF LOAD BALANCING ============== 613.547 LDB: Largest compute 4773 load 0.028497 is 24.2% of average load 0.117931 LDB: Average compute 0.001725 is 1.5% of average load 0.117931 LDB: TIME 613.549 LOAD: AVG 0.117931 MAX 0.207342 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.953 MB LDB: TIME 613.549 LOAD: AVG 0.117931 MAX 0.207342 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.195 MB LDB: TIME 613.549 LOAD: AVG 0.117931 MAX 0.207342 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.195 MB LDB: ============== END OF LOAD BALANCING =============== 613.551 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 613.555 PRESSURE: 204400 67.8968 11.9455 9.04308 11.9441 -44.9755 260.372 9.04258 260.374 40.3532 GPRESSURE: 204400 162.629 6.80389 12.5066 5.70908 -40.1339 310.274 -77.2681 229.566 52.0041 PRESSAVG: 204400 5.01176 33.2822 41.5872 33.2822 -23.4639 19.8584 41.5872 19.8582 5.81611 GPRESSAVG: 204400 5.55539 34.9285 42.6738 32.2178 -24.7094 19.552 40.732 20.5545 6.86076 TIMING: 204400 CPU: 610.305, 0.00306071/step Wall: 610.305, 0.00306071/step, 4.0772 hours remaining, 206.402344 MB of memory in use. ENERGY: 204400 769.7717 2070.5938 1925.6961 116.3817 -206382.3741 17933.5703 0.0000 0.0000 34269.0129 -149297.3475 299.2798 -183566.3605 -149196.9662 299.6550 21.0915 58.1665 557115.3265 -4.2120 -4.0977 PRESSURE: 204600 -351.731 -47.1018 185.826 -47.1012 -52.3976 -121.988 185.825 -121.988 -6.70318 GPRESSURE: 204600 -298.133 -66.0954 217.194 -40.6625 -13.9064 -137.767 106.147 -186.735 -7.09623 PRESSAVG: 204600 -41.6269 -47.4488 29.0213 -47.4488 36.8924 -20.5976 29.0213 -20.5977 -18.6301 GPRESSAVG: 204600 -41.3492 -48.5254 30.3521 -45.2819 37.8203 -20.6942 29.3745 -22.8653 -19.6579 TIMING: 204600 CPU: 610.904, 0.00299607/step Wall: 610.904, 0.00299607/step, 3.99093 hours remaining, 206.402344 MB of memory in use. ENERGY: 204600 756.6170 2145.5193 1929.4851 116.5482 -205796.7579 17548.1910 0.0000 0.0000 34138.6917 -149161.7055 298.1417 -183300.3972 -149068.7386 299.2628 -136.9438 -106.3785 557236.2142 -7.7882 -7.7289 PRESSURE: 204800 72.1659 43.5377 22.5866 43.5401 -178.878 100.701 22.5867 100.701 -1.74689 GPRESSURE: 204800 150.075 45.9465 59.8689 33.7791 -160.145 114.331 -14.51 62.3281 -3.23417 PRESSAVG: 204800 9.58473 -3.54303 22.5463 -3.543 45.4521 -10.0042 22.5463 -10.0043 -61.0538 GPRESSAVG: 204800 8.11789 -2.96287 19.9699 -4.46239 46.7927 -9.9436 23.3658 -9.44318 -61.2068 TIMING: 204800 CPU: 611.5, 0.00298037/step Wall: 611.5, 0.00298037/step, 3.96986 hours remaining, 206.402344 MB of memory in use. ENERGY: 204800 748.8161 2108.3121 1927.7497 117.7748 -205944.3546 17590.0057 0.0000 0.0000 34360.9701 -149090.7261 300.0829 -183451.6962 -148981.0054 299.6939 -36.1531 -4.4347 557183.1582 -2.0057 -2.0987 PRESSURE: 205000 -23.5781 145.722 46.2597 145.723 -58.2457 28.8542 46.2612 28.8553 -135.917 GPRESSURE: 205000 2.08605 145.285 59.7706 166.726 -46.3078 26.0206 53.2086 -39.7523 -70.5457 PRESSAVG: 205000 -53.6006 -35.5283 1.14329 -35.5282 57.7237 -1.37178 1.14339 -1.37164 -9.24034 GPRESSAVG: 205000 -52.6625 -35.1363 1.2627 -35.1925 56.301 -2.64782 0.866138 -1.10587 -8.65556 TIMING: 205000 CPU: 612.101, 0.00300535/step Wall: 612.101, 0.00300535/step, 4.00296 hours remaining, 206.402344 MB of memory in use. ENERGY: 205000 737.4804 2079.2371 1928.4720 113.0584 -206202.7058 17807.0391 0.0000 0.0000 34241.7543 -149295.6645 299.0418 -183537.4188 -149197.6257 299.5521 -72.5804 -38.2558 559052.9508 -1.7058 -1.6724 PRESSURE: 205200 -73.4086 23.8588 51.8937 23.8586 40.7025 95.2335 51.8935 95.2323 126.07 GPRESSURE: 205200 -24.3014 37.0253 23.3359 20.095 82.4475 114.358 35.2326 95.1355 141.262 PRESSAVG: 205200 -35.2465 2.57405 -31.0058 2.57393 58.3968 -75.284 -31.0057 -75.2839 -11.4485 GPRESSAVG: 205200 -36.4547 2.80599 -32.0422 1.84478 58.8563 -72.083 -28.9497 -76.9804 -10.9693 TIMING: 205200 CPU: 612.701, 0.00299779/step Wall: 612.701, 0.00299779/step, 3.99272 hours remaining, 206.464844 MB of memory in use. ENERGY: 205200 767.7626 2090.9322 1931.9017 108.5738 -206466.8130 18012.0660 0.0000 0.0000 34188.3281 -149367.2486 298.5752 -183555.5767 -149268.0365 299.3557 31.1212 66.4693 558915.1345 3.9006 3.8108 PRESSURE: 205400 -385.898 27.1991 -4.59762 27.1992 -29.9938 25.7825 -4.59833 25.7827 -187.757 GPRESSURE: 205400 -306.837 51.7651 59.5476 13.0756 3.22891 -29.2805 -27.7329 -31.67 -207.006 PRESSAVG: 205400 -83.6619 33.6029 -22.3662 33.6027 9.65286 5.29354 -22.3662 5.29356 60.0209 GPRESSAVG: 205400 -82.9374 32.0306 -21.1829 34.5139 9.25872 3.73866 -22.331 6.35055 58.4558 TIMING: 205400 CPU: 613.298, 0.00298237/step Wall: 613.298, 0.00298237/step, 3.97201 hours remaining, 206.464844 MB of memory in use. ENERGY: 205400 770.8744 2149.7742 1927.8627 105.4699 -206281.9981 17597.0151 0.0000 0.0000 34229.5236 -149501.4782 298.9349 -183731.0018 -149399.7378 299.2983 -201.2166 -170.2044 558042.0626 -4.6627 -5.0743 PRESSURE: 205600 -41.8292 20.5361 -77.0122 20.5363 79.8726 3.30668 -77.0136 3.30776 -24.4227 GPRESSURE: 205600 -31.9073 -15.2323 -30.1266 -18.8765 114.842 -51.4241 12.7162 -12.8114 26.3133 PRESSAVG: 205600 5.70069 -6.06321 -11.9086 -6.06324 5.08868 -8.06655 -11.9086 -8.06653 8.58826 GPRESSAVG: 205600 4.1648 -4.7876 -11.8934 -7.13128 6.23579 -9.56438 -12.942 -8.21295 9.12805 TIMING: 205600 CPU: 613.895, 0.00298656/step Wall: 613.895, 0.00298656/step, 3.97744 hours remaining, 206.464844 MB of memory in use. ENERGY: 205600 761.0293 2137.3713 1950.0657 119.7426 -206487.9269 18025.7657 0.0000 0.0000 34043.7696 -149450.1827 297.3127 -183493.9523 -149348.3310 298.2943 4.5402 36.4161 557007.9573 6.4592 6.5095 PRESSURE: 205800 289.77 206.363 -95.0357 206.364 202.141 -47.2464 -95.0362 -47.2473 200.248 GPRESSURE: 205800 302.741 229.909 -23.2924 126.426 240.201 -86.9236 -137.074 -37.8882 243.507 PRESSAVG: 205800 -5.46182 8.4339 -16.3799 8.43389 54.5468 -8.20004 -16.3798 -8.19995 -25.6358 GPRESSAVG: 205800 -4.71109 8.91296 -14.8202 9.1315 55.0765 -6.9138 -17.3087 -8.93321 -26.5497 TIMING: 205800 CPU: 614.497, 0.00301283/step Wall: 614.497, 0.00301283/step, 4.01225 hours remaining, 206.464844 MB of memory in use. ENERGY: 205800 730.1175 2102.8657 1910.1657 121.2907 -206384.1052 18175.8470 0.0000 0.0000 33976.7745 -149367.0440 296.7276 -183343.8185 -149275.5354 298.7413 230.7200 262.1496 558392.5777 7.8164 7.9386 PRESSURE: 206000 -1.78738 97.3997 92.3524 97.3996 -34.3742 13.6761 92.3513 13.6769 117.329 GPRESSURE: 206000 1.57765 50.275 -28.2866 146.318 59.7138 -13.3598 140.071 5.4649 115.734 PRESSAVG: 206000 -82.8361 52.3013 12.2528 52.3013 60.0246 -23.0189 12.2528 -23.0188 -3.90739 GPRESSAVG: 206000 -82.5649 52.9689 10.0026 49.9334 59.9594 -20.9679 13.6418 -23.5631 -4.01049 TIMING: 206000 CPU: 615.107, 0.0030491/step Wall: 615.107, 0.0030491/step, 4.06039 hours remaining, 206.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 206000 744.9368 2094.3836 1921.3443 110.2036 -206727.1525 18117.4194 0.0000 0.0000 34342.7398 -149396.1250 299.9237 -183738.8648 -149302.0337 298.6517 27.0560 59.0084 559580.8891 -8.9063 -8.8720 PRESSURE: 206200 -139.647 19.9559 -157.047 19.9562 98.1606 -1.05021 -157.047 -1.05058 -189.959 GPRESSURE: 206200 -107.052 7.8793 -72.1047 94.0763 149.132 67.8158 -132.239 -69.6605 -163.77 PRESSAVG: 206200 -24.2454 -26.9948 -36.0452 -26.9948 25.2321 44.5459 -36.0453 44.5459 23.2658 GPRESSAVG: 206200 -23.8056 -27.8492 -34.0318 -23.2532 24.528 42.4974 -37.4585 47.5387 23.9353 TIMING: 206200 CPU: 615.716, 0.00304226/step Wall: 615.716, 0.00304226/step, 4.0511 hours remaining, 206.464844 MB of memory in use. ENERGY: 206200 739.2853 2107.2201 1940.2237 121.5929 -206207.5628 17745.6951 0.0000 0.0000 34203.3059 -149350.2398 298.7060 -183553.5457 -149249.3660 299.0980 -77.1487 -40.5633 558771.9454 8.0842 8.2192 PRESSURE: 206400 -268.777 -29.3919 -5.00417 -29.3927 35.7524 -69.4925 -5.00301 -69.4923 -41.8099 GPRESSURE: 206400 -215.719 -10.9694 -15.07 -18.057 59.5573 -118.602 -32.2679 -29.858 -24.9064 PRESSAVG: 206400 -12.8851 56.6988 -14.2958 56.6988 58.1591 -9.55445 -14.2958 -9.55457 -47.5188 GPRESSAVG: 206400 -13.9238 54.9885 -16.0185 56.5877 59.3188 -8.64501 -13.0463 -13.0122 -47.2955 TIMING: 206400 CPU: 616.32, 0.00301923/step Wall: 616.32, 0.00301923/step, 4.02027 hours remaining, 206.464844 MB of memory in use. ENERGY: 206400 743.4518 2116.7009 1933.1963 110.4800 -206211.8190 17722.3397 0.0000 0.0000 34251.8950 -149333.7553 299.1303 -183585.6503 -149239.6089 298.5552 -91.6116 -60.3559 557523.0372 -0.7483 -0.6335 PRESSURE: 206600 189.801 -45.767 -58.9325 -45.7662 40.6294 -144.036 -58.932 -144.037 -28.8226 GPRESSURE: 206600 227.119 -111.766 -54.6045 -14.6344 83.2359 -87.4764 -72.9411 -143.842 -3.48531 PRESSAVG: 206600 -15.0331 2.36245 46.0311 2.3625 -29.4005 -14.211 46.0311 -14.2108 58.5393 GPRESSAVG: 206600 -14.4946 5.36459 48.5648 0.079769 -30.0811 -13.5112 44.8359 -13.3258 58.734 TIMING: 206600 CPU: 616.917, 0.00298651/step Wall: 616.917, 0.00298651/step, 3.97654 hours remaining, 206.464844 MB of memory in use. ENERGY: 206600 773.1178 2116.6717 1925.9457 109.0499 -206257.0747 17816.6339 0.0000 0.0000 34001.4108 -149514.2448 296.9428 -183515.6557 -149413.0160 299.4997 67.2028 102.2898 556228.0111 4.7019 4.7194 PRESSURE: 206800 -54.776 -207.835 66.1166 -207.835 43.2612 -70.8425 66.1171 -70.8418 -66.0862 GPRESSURE: 206800 -36.7322 -178.45 8.97121 -240.006 96.1442 -35.1183 47.0841 -127.706 -29.8527 PRESSAVG: 206800 -17.7585 -2.92887 30.2624 -2.92887 23.3601 1.00813 30.2624 1.00822 -25.5049 GPRESSAVG: 206800 -17.915 -4.10993 27.8831 -2.20501 23.9812 0.546128 31.2672 1.43963 -25.4754 TIMING: 206800 CPU: 617.512, 0.00297638/step Wall: 617.512, 0.00297638/step, 3.96288 hours remaining, 206.464844 MB of memory in use. ENERGY: 206800 741.3670 2041.2274 1963.5074 115.2376 -206287.9793 17843.4000 0.0000 0.0000 34235.7009 -149347.5390 298.9889 -183583.2399 -149251.7121 298.3006 -25.8670 9.8531 557057.4499 -6.6344 -6.4697 PRESSURE: 207000 27.2668 -105.813 -143.142 -105.813 -47.4783 11.2914 -143.14 11.2902 6.28966 GPRESSURE: 207000 13.7398 -36.731 -130.722 -141.578 27.9246 -15.8717 -63.5868 -44.095 45.5818 PRESSAVG: 207000 -69.1361 15.1525 -13.1008 15.1524 6.24733 -31.9314 -13.1007 -31.9313 40.2132 GPRESSAVG: 207000 -69.6786 14.5605 -10.9938 13.5492 5.66424 -30.4713 -12.5735 -32.2693 41.4086 TIMING: 207000 CPU: 618.106, 0.00296831/step Wall: 618.106, 0.00296831/step, 3.95198 hours remaining, 206.464844 MB of memory in use. ENERGY: 207000 758.2617 2138.1565 1952.0621 101.8473 -206198.4296 17687.5075 0.0000 0.0000 34293.4103 -149267.1842 299.4929 -183560.5945 -149176.5627 299.4044 -4.6406 29.0821 556365.4669 -7.5585 -7.5353 PRESSURE: 207200 -168.246 -168.526 176.827 -168.526 -168.913 -89.0622 176.828 -89.0614 59.3351 GPRESSURE: 207200 -113.803 -139.446 97.6885 -182.552 -152.201 -152.277 131.781 -10.4066 81.0591 PRESSAVG: 207200 -27.6482 -16.0993 -26.3952 -16.0994 -16.0157 -16.21 -26.3951 -16.2099 41.3821 GPRESSAVG: 207200 -27.5728 -15.8253 -27.9379 -14.4095 -16.6227 -17.9411 -28.7867 -16.6677 41.3724 TIMING: 207200 CPU: 618.699, 0.00296393/step Wall: 618.699, 0.00296393/step, 3.94598 hours remaining, 206.464844 MB of memory in use. ENERGY: 207200 748.4599 2058.2293 1934.2285 109.6428 -206348.6540 17765.0481 0.0000 0.0000 34322.1197 -149410.9256 299.7436 -183733.0453 -149321.6889 299.4084 -92.6079 -61.6481 557725.9508 -0.7606 -0.9410 PRESSURE: 207400 -57.8287 35.2007 -15.3602 35.2004 133.359 -20.4178 -15.36 -20.4165 139.587 GPRESSURE: 207400 -20.8787 -2.26314 -21.9301 54.7627 115.793 79.9943 -0.205543 -108.502 218.129 PRESSAVG: 207400 -15.5509 -53.2115 -5.77972 -53.2115 23.6296 23.3612 -5.77975 23.3614 -5.4632 GPRESSAVG: 207400 -16.0401 -52.4863 -4.94379 -53.5685 24.5063 22.3899 -5.1043 25.6516 -5.61878 TIMING: 207400 CPU: 619.299, 0.00300151/step Wall: 619.299, 0.00300151/step, 3.99585 hours remaining, 206.464844 MB of memory in use. ENERGY: 207400 768.8465 2034.7252 1940.9050 104.9698 -206347.2100 17948.0345 0.0000 0.0000 34206.4706 -149343.2584 298.7336 -183549.7291 -149241.9654 299.4361 71.7059 104.3477 556905.1225 0.8718 0.9492 PRESSURE: 207600 106.31 -112.221 17.8647 -112.222 -147.024 -96.2271 17.8652 -96.2258 -90.2315 GPRESSURE: 207600 80.9341 -223.049 82.9645 -39.9244 -63.1641 -62.1276 50.1496 -88.9333 -52.9886 PRESSAVG: 207600 37.4069 -15.4044 -16.6026 -15.4045 14.2231 1.35306 -16.6026 1.35317 -38.9371 GPRESSAVG: 207600 39.0978 -16.2166 -15.2864 -17.4807 13.3801 2.13445 -18.5727 -0.33275 -40.1764 TIMING: 207600 CPU: 619.899, 0.00300119/step Wall: 619.899, 0.00300119/step, 3.99526 hours remaining, 206.464844 MB of memory in use. ENERGY: 207600 739.6543 2069.3755 1948.1166 103.8960 -206098.0344 17791.9936 0.0000 0.0000 34274.4000 -149170.5985 299.3269 -183444.9985 -149079.7067 299.2521 -43.6484 -11.7396 556688.5710 4.2310 4.1005 PRESSURE: 207800 6.14487 -26.4247 -148.796 -26.4233 34.9068 -36.5375 -148.797 -36.5364 143.446 GPRESSURE: 207800 31.1329 -80.9679 -122.32 47.6823 80.7008 -71.0912 -108.089 -76.3121 165.945 PRESSAVG: 207800 13.7106 11.7115 -49.7493 11.7116 -25.292 -33.9878 -49.7492 -33.9877 19.4142 GPRESSAVG: 207800 13.616 13.8139 -50.7773 12.8998 -24.2659 -33.3222 -49.6874 -32.9997 18.5743 TIMING: 207800 CPU: 620.499, 0.00299724/step Wall: 620.499, 0.00299724/step, 3.98982 hours remaining, 206.464844 MB of memory in use. ENERGY: 207800 727.7539 2032.5513 1934.0530 124.2087 -206168.1050 17810.2690 0.0000 0.0000 34357.8015 -149181.4676 300.0552 -183539.2691 -149085.6632 300.0486 61.4991 92.5929 558483.8075 2.6109 2.6415 PRESSURE: 208000 339.793 127.709 -28.6548 127.709 95.6039 -113.959 -28.6552 -113.957 377.784 GPRESSURE: 208000 347.754 46.1493 -47.9531 190.411 127.686 -70.6629 -96.1638 -110.226 432.956 PRESSAVG: 208000 36.4703 97.6855 -64.5845 97.6855 56.7015 -22.7378 -64.5844 -22.7378 -84.3098 GPRESSAVG: 208000 35.1239 97.4001 -64.7691 98.6558 57.768 -22.9082 -64.5382 -22.406 -83.3937 TIMING: 208000 CPU: 621.1, 0.00300897/step Wall: 621.1, 0.00300897/step, 4.00528 hours remaining, 206.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 208000 731.9685 2101.1645 1950.3037 102.7797 -206897.6258 18397.4977 0.0000 0.0000 34428.7093 -149185.2025 300.6745 -183613.9119 -149087.4655 299.7118 271.0603 302.7988 558396.7261 2.9540 3.1660 PRESSURE: 208200 2.0431 -111.325 157.127 -111.327 -240.807 79.4206 157.128 79.4223 -106.98 GPRESSURE: 208200 -27.3103 -15.038 172.532 -214.228 -202.149 -5.39368 119.509 83.682 -37.9146 PRESSAVG: 208200 56.7063 59.4072 11.003 59.4072 -77.256 -3.23566 11.0028 -3.23568 22.7312 GPRESSAVG: 208200 57.7035 58.9235 11.6183 59.8115 -79.73 -5.7294 11.8048 -4.20475 23.3023 TIMING: 208200 CPU: 621.704, 0.00301803/step Wall: 621.704, 0.00301803/step, 4.01717 hours remaining, 206.464844 MB of memory in use. ENERGY: 208200 743.4748 2133.2124 1930.7115 105.3433 -205977.8703 17689.8106 0.0000 0.0000 34315.5974 -149059.7203 299.6866 -183375.3178 -148954.1679 300.6454 -115.2480 -89.1246 558466.8081 0.7272 0.4253 LDB: ============= START OF LOAD BALANCING ============== 625.256 LDB: ============== END OF LOAD BALANCING =============== 625.256 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 625.258 LDB: ============= START OF LOAD BALANCING ============== 625.558 LDB: Largest compute 4773 load 0.027674 is 23.5% of average load 0.117986 LDB: Average compute 0.001729 is 1.5% of average load 0.117986 LDB: TIME 625.56 LOAD: AVG 0.117986 MAX 0.204419 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.98 MB LDB: TIME 625.56 LOAD: AVG 0.117986 MAX 0.204419 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.051 MB LDB: TIME 625.56 LOAD: AVG 0.117986 MAX 0.204419 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.051 MB LDB: ============== END OF LOAD BALANCING =============== 625.562 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 625.566 PRESSURE: 208400 6.13661 -92.2143 -172.089 -92.2134 54.2776 -28.2851 -172.088 -28.2848 -57.7892 GPRESSURE: 208400 35.6246 -65.8513 -208.341 -155.928 122.102 -97.1723 -154.085 7.74165 -59.6062 PRESSAVG: 208400 -0.141186 -15.5381 1.25716 -15.538 25.8022 -45.2775 1.25727 -45.2775 -16.294 GPRESSAVG: 208400 -0.36531 -15.1091 1.56517 -15.1159 26.6045 -45.1259 2.70992 -46.1906 -17.3835 TIMING: 208400 CPU: 622.316, 0.00306183/step Wall: 622.316, 0.00306183/step, 4.0753 hours remaining, 205.242188 MB of memory in use. ENERGY: 208400 762.7232 2034.9341 1936.4843 123.5525 -206304.1916 17832.7078 0.0000 0.0000 34449.1713 -149164.6184 300.8532 -183613.7897 -149068.0274 299.5283 0.8750 32.7068 556751.4848 3.1223 2.9519 PRESSURE: 208600 -197.232 -130.713 144.181 -130.713 -13.7422 -77.9944 144.18 -77.9944 -198.317 GPRESSURE: 208600 -183.256 -251.689 173.317 8.20207 34.7322 -115.576 97.8869 -40.4385 -174.147 PRESSAVG: 208600 -42.021 -13.2239 20.4617 -13.2239 8.65334 26.5451 20.4617 26.545 7.53258 GPRESSAVG: 208600 -42.3112 -14.6217 22.0486 -13.4014 8.84921 26.5192 17.5288 29.4354 7.41664 TIMING: 208600 CPU: 622.915, 0.00299316/step Wall: 622.915, 0.00299316/step, 3.98373 hours remaining, 205.367188 MB of memory in use. ENERGY: 208600 757.7213 2072.2850 1930.6442 110.4173 -205987.2746 17686.6253 0.0000 0.0000 34116.9047 -149312.6767 297.9514 -183429.5814 -149218.2975 298.8094 -136.4304 -107.5572 556996.3965 -8.6117 -8.6818 PRESSURE: 208800 -201.199 106.78 -107.037 106.78 -191.007 172.624 -107.037 172.623 -184.605 GPRESSURE: 208800 -158.932 43.3765 -18.1295 71.3302 -189.566 80.6026 -140.95 130.218 -148.401 PRESSAVG: 208800 -53.7517 -13.1593 -1.82846 -13.1592 40.5275 20.9964 -1.8285 20.9962 -1.96244 GPRESSAVG: 208800 -53.5566 -12.379 -3.08063 -13.8157 41.2746 21.9273 0.647607 20.2779 -2.17527 TIMING: 208800 CPU: 623.512, 0.00298504/step Wall: 623.512, 0.00298504/step, 3.97275 hours remaining, 205.609375 MB of memory in use. ENERGY: 208800 774.2140 2038.9157 1924.5179 113.8716 -205573.1302 17495.0032 0.0000 0.0000 34039.7850 -149186.8228 297.2779 -183226.6078 -149087.4563 299.4705 -192.2701 -165.6331 557489.7782 -5.0622 -4.8191 PRESSURE: 209000 -39.1834 -238.463 135.227 -238.462 -52.6322 -137.268 135.228 -137.267 60.7791 GPRESSURE: 209000 -25.3769 -232.859 145.366 -162.067 -15.9876 -43.137 39.4251 -205.533 103.131 PRESSAVG: 209000 -9.15229 -46.4311 -23.5961 -46.4311 46.951 -12.2488 -23.5961 -12.2487 -37.2955 GPRESSAVG: 209000 -8.17062 -46.0056 -24.6228 -44.1068 46.16 -10.3579 -24.3662 -13.7165 -36.8344 TIMING: 209000 CPU: 624.108, 0.00297787/step Wall: 624.108, 0.00297787/step, 3.96305 hours remaining, 205.609375 MB of memory in use. ENERGY: 209000 731.3673 2098.7627 1932.8135 109.1095 -206188.1806 17677.6931 0.0000 0.0000 34257.9817 -149380.4528 299.1835 -183638.4346 -149289.4869 298.7457 -10.3455 20.5888 556903.3057 0.1678 0.3850 PRESSURE: 209200 -53.8268 -135.077 68.3625 -135.077 -148.911 51.444 68.3615 51.4446 -383.366 GPRESSURE: 209200 -28.3154 -37.1959 0.941543 -139.783 -127.45 16.9448 168.803 58.9083 -334.493 PRESSAVG: 209200 -34.7855 -24.8836 37.6562 -24.8836 46.5475 -14.3692 37.6562 -14.3692 -19.9653 GPRESSAVG: 209200 -36.3034 -23.6668 38.6474 -28.3693 48.3411 -16.8624 38.8771 -12.4194 -20.3503 TIMING: 209200 CPU: 624.702, 0.00297282/step Wall: 624.702, 0.00297282/step, 3.95616 hours remaining, 205.609375 MB of memory in use. ENERGY: 209200 753.1685 2057.6352 1933.1141 110.2683 -206021.7860 17539.0383 0.0000 0.0000 34257.4204 -149371.1412 299.1786 -183628.5616 -149283.2052 298.5508 -195.3678 -163.4195 558213.3452 -2.7344 -2.7709 PRESSURE: 209400 -96.1004 -37.5636 76.8315 -37.5636 171.883 -169.822 76.8318 -169.819 -345.22 GPRESSURE: 209400 -63.8957 -11.6926 39.3353 -112.322 136.295 -47.4633 93.7047 -198.22 -257.405 PRESSAVG: 209400 90.8674 -6.05365 25.4931 -6.05371 15.3545 3.69853 25.4931 3.69873 -31.4528 GPRESSAVG: 209400 91.841 -6.57959 24.2698 -2.38378 14.371 4.30178 26.7801 2.46216 -31.2144 TIMING: 209400 CPU: 625.297, 0.00297324/step Wall: 625.297, 0.00297325/step, 3.95656 hours remaining, 205.609375 MB of memory in use. ENERGY: 209400 773.9725 2068.5129 1944.8663 108.1676 -206425.9708 17998.2203 0.0000 0.0000 34245.3280 -149286.9031 299.0730 -183532.2312 -149188.5142 299.1067 -89.8125 -61.6687 557740.9824 24.9231 24.9992 PRESSURE: 209600 -45.0344 52.1191 0.880524 52.1193 122.894 -37.2756 0.879731 -37.2749 -30.8473 GPRESSURE: 209600 3.10382 21.2628 -120.709 145.891 91.7933 -50.1712 120.847 -49.5705 44.5612 PRESSAVG: 209600 26.9385 21.8203 4.59741 21.8203 55.0362 -12.3894 4.59748 -12.3894 -77.9206 GPRESSAVG: 209600 26.9757 21.6503 5.45278 21.5888 54.5875 -12.1857 4.06582 -13.1846 -77.6228 TIMING: 209600 CPU: 625.891, 0.00296903/step Wall: 625.891, 0.00296903/step, 3.95079 hours remaining, 205.609375 MB of memory in use. ENERGY: 209600 758.1274 2133.2941 1942.1172 107.0181 -206102.5044 17605.4673 0.0000 0.0000 34313.5994 -149242.8810 299.6692 -183556.4804 -149143.6829 299.2399 15.6708 46.4861 557009.8923 1.3514 1.3135 PRESSURE: 209800 -119.865 188.213 -0.613787 188.214 -203.873 82.9244 -0.613243 82.923 49.6137 GPRESSURE: 209800 -72.5695 204.696 -34.7843 53.9389 -156.882 59.4226 88.2888 61.3957 51.2961 PRESSAVG: 209800 35.4159 33.2982 13.6438 33.2982 43.6404 18.5615 13.6438 18.5614 -23.9036 GPRESSAVG: 209800 35.8447 31.242 14.6922 31.9423 44.0597 17.0951 11.0777 18.782 -25.3777 TIMING: 209800 CPU: 626.49, 0.00299572/step Wall: 626.49, 0.00299572/step, 3.98613 hours remaining, 205.609375 MB of memory in use. ENERGY: 209800 817.4923 2064.6260 1976.6286 103.8940 -206431.1710 17896.0747 0.0000 0.0000 34235.2271 -149337.2284 298.9848 -183572.4555 -149240.9450 299.8714 -91.3746 -59.3851 558149.3805 18.3842 18.1756 PRESSURE: 210000 243.155 -17.1986 -83.3926 -17.1971 -24.8137 -18.823 -83.3947 -18.8225 135.579 GPRESSURE: 210000 270.682 -44.7269 -98.2296 14.8782 7.25403 -57.3941 -17.5363 71.6575 188.135 PRESSAVG: 210000 4.04247 4.81678 28.2712 4.81684 -3.76834 -34.5624 28.2712 -34.5624 -15.2476 GPRESSAVG: 210000 2.71762 6.52709 27.5009 5.41368 -3.58919 -32.0355 31.8017 -34.8512 -13.5455 TIMING: 210000 CPU: 627.087, 0.00298492/step Wall: 627.087, 0.00298492/step, 3.9716 hours remaining, 205.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 210000 774.8390 2064.6946 1942.1377 110.0490 -206726.2681 18114.3146 0.0000 0.0000 34358.2728 -149361.9604 300.0593 -183720.2332 -149262.0627 299.2322 117.9735 155.3570 557412.0190 -4.9912 -4.8057 PRESSURE: 210200 -111.566 20.6723 68.7009 20.6722 48.3912 57.4018 68.7001 57.4027 54.743 GPRESSURE: 210200 -64.6432 105.48 126.175 63.1543 99.5163 119.709 82.0146 56.3646 49.2074 PRESSAVG: 210200 42.4991 15.4221 6.05971 15.4221 -51.8762 65.2363 6.05958 65.2363 -0.397066 GPRESSAVG: 210200 43.7813 14.8198 6.50339 14.6418 -53.4139 64.5994 3.46893 65.4527 -0.0716104 TIMING: 210200 CPU: 627.685, 0.00299093/step Wall: 627.685, 0.00299093/step, 3.97944 hours remaining, 205.609375 MB of memory in use. ENERGY: 210200 735.3951 2154.6805 1935.3035 102.7759 -206000.8947 17716.8721 0.0000 0.0000 34113.3290 -149242.5387 297.9202 -183355.8677 -149152.4359 299.0918 -2.8105 28.0268 557033.5741 -3.2581 -3.2348 PRESSURE: 210400 -142.35 -121.163 170.482 -121.162 -140.549 201.886 170.481 201.884 -114.874 GPRESSURE: 210400 -121.249 -58.6957 184.9 -161.416 -79.561 209.455 62.556 163.06 -98.2467 PRESSAVG: 210400 -27.9977 -43.3154 29.2136 -43.3153 19.0807 11.7647 29.2135 11.7647 -16.0291 GPRESSAVG: 210400 -30.0785 -43.4099 29.5553 -41.806 19.8525 12.6845 29.0672 12.1364 -15.0043 TIMING: 210400 CPU: 628.279, 0.00297188/step Wall: 628.279, 0.00297188/step, 3.95392 hours remaining, 205.609375 MB of memory in use. ENERGY: 210400 757.5819 2083.6784 1927.9426 119.3430 -205898.3345 17486.5289 0.0000 0.0000 34133.9383 -149389.3214 298.1002 -183523.2596 -149295.9006 299.2710 -132.5912 -99.6856 556031.6210 -8.3154 -8.4101 PRESSURE: 210600 85.0084 138.372 79.6431 138.372 -51.876 -41.474 79.6439 -41.474 -154.713 GPRESSURE: 210600 133.346 129.902 74.2843 93.1832 -15.2325 -46.6181 127.63 28.4516 -149.063 PRESSAVG: 210600 6.26995 -12.4992 35.7364 -12.4993 -24.5137 22.4988 35.7364 22.4988 9.57261 GPRESSAVG: 210600 7.86294 -12.3094 33.5659 -14.417 -23.6873 19.7992 37.1764 24.6552 6.64083 TIMING: 210600 CPU: 628.877, 0.00298874/step Wall: 628.877, 0.00298874/step, 3.97619 hours remaining, 205.609375 MB of memory in use. ENERGY: 210600 744.7312 2068.5770 1964.8831 119.2584 -205929.9218 17646.5381 0.0000 0.0000 34088.3900 -149297.5441 297.7024 -183385.9341 -149200.9432 298.9781 -40.5269 -10.3164 557100.2219 -2.8904 -3.0612 PRESSURE: 210800 125.581 -21.3183 -4.94684 -21.318 289.025 -164.963 -4.94679 -164.962 -34.2743 GPRESSURE: 210800 177.757 -40.9466 60.5292 -70.3059 297.108 -156.768 11.3009 -123.156 3.64428 PRESSAVG: 210800 -41.1844 31.6898 -37.8123 31.6898 17.7274 -41.9663 -37.8124 -41.9664 0.675425 GPRESSAVG: 210800 -42.8578 32.6792 -35.5859 31.9979 17.875 -40.1613 -39.9736 -44.8895 2.45078 TIMING: 210800 CPU: 629.477, 0.00300233/step Wall: 629.477, 0.00300233/step, 3.99411 hours remaining, 205.609375 MB of memory in use. ENERGY: 210800 725.5722 2111.2541 1961.1883 117.9669 -206609.2159 18080.4883 0.0000 0.0000 34328.8174 -149283.9287 299.8021 -183612.7461 -149191.5504 298.6557 126.7773 159.5030 556381.9101 -7.5939 -7.5107 PRESSURE: 211000 -102.833 -75.1999 4.82886 -75.2005 24.045 -16.1752 4.82883 -16.1758 69.6462 GPRESSURE: 211000 -90.9322 -3.14246 6.25008 -110.741 44.2191 -80.1112 8.08871 -14.9596 128.368 PRESSAVG: 211000 46.5339 -17.8201 1.61029 -17.8201 -1.32302 -59.9736 1.61042 -59.9737 -32.9534 GPRESSAVG: 211000 45.2999 -15.5308 0.722908 -17.1221 -0.535302 -62.4514 2.17194 -56.5361 -32.4049 TIMING: 211000 CPU: 630.07, 0.00296117/step Wall: 630.07, 0.00296117/step, 3.93918 hours remaining, 205.609375 MB of memory in use. ENERGY: 211000 758.6145 2140.6177 1961.2574 112.1548 -206215.2531 17795.4999 0.0000 0.0000 34058.7157 -149388.3933 297.4432 -183447.1089 -149289.1593 298.7870 -3.0471 27.2183 557093.0137 4.0858 4.1199 PRESSURE: 211200 -125.089 163.95 -28.8046 163.949 -44.2987 79.4745 -28.8027 79.477 83.1799 GPRESSURE: 211200 -139.205 139.099 -112.457 234.754 -1.283 67.5143 -17.1964 56.1451 142.379 PRESSAVG: 211200 -74.7195 46.9939 -68.5974 46.994 47.4577 -1.83242 -68.5972 -1.83235 3.41198 GPRESSAVG: 211200 -72.8853 41.7181 -73.0437 47.5325 46.9078 0.493361 -65.6443 -3.83161 1.89385 TIMING: 211200 CPU: 630.67, 0.00299976/step Wall: 630.67, 0.00299976/step, 3.99035 hours remaining, 205.609375 MB of memory in use. ENERGY: 211200 745.3402 2072.0683 1958.0030 109.0706 -206505.5037 17873.4676 0.0000 0.0000 34379.3617 -149368.1923 300.2435 -183747.5540 -149278.6082 298.6615 -28.7359 0.6303 557515.2616 -7.9500 -8.0279 PRESSURE: 211400 242.215 -33.1003 -61.4436 -33.1005 64.7618 167.449 -61.4446 167.45 38.2477 GPRESSURE: 211400 300.548 -45.4005 -95.0796 -75.9802 70.5032 90.0956 -20.8787 130.39 78.9549 PRESSAVG: 211400 -6.39714 42.7861 -51.0385 42.7861 84.324 21.3046 -51.0386 21.3046 -65.6353 GPRESSAVG: 211400 -6.66446 44.1162 -47.4854 43.8232 84.2771 19.5162 -55.1521 20.4066 -65.3702 TIMING: 211400 CPU: 631.268, 0.00299254/step Wall: 631.268, 0.00299254/step, 3.98058 hours remaining, 205.609375 MB of memory in use. ENERGY: 211400 743.4154 2124.6221 1914.1842 115.2537 -206452.0614 17908.2720 0.0000 0.0000 34204.6551 -149441.6590 298.7178 -183646.3141 -149349.2709 299.2796 115.0748 150.0019 557137.9279 4.0972 4.0808 PRESSURE: 211600 -168.898 78.7393 -161.362 78.7404 21.4678 55.7876 -161.363 55.7883 -24.2613 GPRESSURE: 211600 -178.283 156.558 -164.38 76.4425 51.5724 12.6915 -107.635 4.1458 36.7189 PRESSAVG: 211600 47.6205 39.7404 -25.3161 39.7404 -5.15499 -27.8559 -25.316 -27.8559 4.96914 GPRESSAVG: 211600 47.776 40.4356 -25.815 37.9403 -6.13719 -25.8251 -23.4193 -26.7597 5.66172 TIMING: 211600 CPU: 631.863, 0.00297356/step Wall: 631.863, 0.00297356/step, 3.95516 hours remaining, 205.609375 MB of memory in use. ENERGY: 211600 745.8401 2077.9487 1946.2218 116.6131 -206256.4085 17640.5015 0.0000 0.0000 34286.7654 -149442.5179 299.4349 -183729.2833 -149350.9640 299.0195 -57.2304 -29.9973 557334.1711 15.8115 15.7668 PRESSURE: 211800 -135.309 -66.5672 -46.3495 -66.5674 -184.278 -115.413 -46.3499 -115.414 119.829 GPRESSURE: 211800 -67.662 -41.3852 2.97187 -147.044 -217.629 -110.435 -76.3831 -96.7213 181.632 PRESSAVG: 211800 -57.6165 19.7271 -37.0131 19.7271 -18.36 14.5255 -37.0131 14.5255 89.8603 GPRESSAVG: 211800 -56.7753 20.866 -34.6333 18.5202 -18.186 13.4962 -37.915 15.8144 88.932 TIMING: 211800 CPU: 632.462, 0.00299791/step Wall: 632.462, 0.00299791/step, 3.98739 hours remaining, 205.609375 MB of memory in use. ENERGY: 211800 737.1666 2007.0788 1968.5316 115.5011 -206072.5585 17626.2308 0.0000 0.0000 34224.2899 -149393.7599 298.8892 -183618.0498 -149302.6231 298.0789 -66.5859 -34.5530 556580.3616 4.6279 4.6569 PRESSURE: 212000 -180.28 -53.5807 123.793 -53.5799 -144.304 128.053 123.791 128.053 134.534 GPRESSURE: 212000 -138.403 -70.4268 148.774 93.3271 -93.9572 32.9946 132.483 203.002 147.291 PRESSAVG: 212000 23.7354 -35.8726 -13.9456 -35.8726 -26.4361 33.5471 -13.9456 33.5469 54.0422 GPRESSAVG: 212000 22.4162 -36.144 -16.5612 -34.6426 -25.4873 33.4988 -11.6778 33.2687 54.008 TIMING: 212000 CPU: 633.059, 0.00298417/step Wall: 633.059, 0.00298417/step, 3.96895 hours remaining, 205.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 212000 772.6302 2047.6624 1984.0128 109.6280 -206196.5365 17590.4492 0.0000 0.0000 34382.6583 -149309.4958 300.2723 -183692.1541 -149218.4176 298.9172 -63.3500 -28.3563 556248.4144 17.1138 16.9790 PRESSURE: 212200 -199.682 11.392 -124.974 11.3915 -241.583 38.7021 -124.974 38.7037 -211.815 GPRESSURE: 212200 -215.198 30.312 -176.121 -4.66457 -142.03 68.3717 -103.633 12.5746 -194.237 PRESSAVG: 212200 -44.5915 15.3258 36.4372 15.3258 -12.0529 29.3444 36.4372 29.3444 58.399 GPRESSAVG: 212200 -44.7646 15.1817 37.8272 15.1415 -11.3767 31.9265 34.5854 26.3823 58.235 TIMING: 212200 CPU: 633.655, 0.00297727/step Wall: 633.655, 0.00297727/step, 3.95961 hours remaining, 205.609375 MB of memory in use. ENERGY: 212200 766.5271 2097.9515 1920.0013 109.7730 -206333.3300 17686.5947 0.0000 0.0000 34598.3751 -149154.1072 302.1562 -183752.4823 -149048.9925 299.3303 -217.6933 -183.8217 558056.8729 0.5849 0.6979 LDB: ============= START OF LOAD BALANCING ============== 637.204 LDB: ============== END OF LOAD BALANCING =============== 637.204 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 637.205 LDB: ============= START OF LOAD BALANCING ============== 637.504 LDB: Largest compute 4795 load 0.028192 is 23.9% of average load 0.117947 LDB: Average compute 0.001729 is 1.5% of average load 0.117947 LDB: TIME 637.506 LOAD: AVG 0.117947 MAX 0.20544 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.754 MB LDB: TIME 637.507 LOAD: AVG 0.117947 MAX 0.20544 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.754 MB LDB: TIME 637.507 LOAD: AVG 0.117947 MAX 0.20544 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.754 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 637.509 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 637.513 PRESSURE: 212400 29.9662 -5.99823 53.6358 -5.99985 -11.8172 8.47802 53.636 8.47615 -95.7951 GPRESSURE: 212400 28.8546 16.5382 120.066 60.9058 69.8802 28.8884 37.8878 52.2919 -70.5944 PRESSAVG: 212400 -97.2997 45.824 5.61168 45.8239 62.078 19.4825 5.61169 19.4826 24.9535 GPRESSAVG: 212400 -97.4564 46.8053 5.88575 45.9255 60.8727 18.0752 7.89438 21.8898 26.5533 TIMING: 212400 CPU: 634.263, 0.00304201/step Wall: 634.263, 0.00304201/step, 4.04553 hours remaining, 206.109375 MB of memory in use. ENERGY: 212400 749.0043 2087.4402 1944.6412 109.3586 -205765.8937 17639.6228 0.0000 0.0000 34178.6463 -149057.1803 298.4906 -183235.8266 -148958.1557 299.2732 -25.8820 9.3801 557163.6614 -3.4227 -3.3435 PRESSURE: 212600 135.873 -27.0134 145.798 -27.0135 -159.562 72.9178 145.798 72.9185 58.6011 GPRESSURE: 212600 163.728 -0.913451 64.8131 -17.0481 -167.369 183.545 182.572 79.2693 139.123 PRESSAVG: 212600 -63.5561 18.0717 18.62 18.0717 36.213 41.8218 18.62 41.8219 25.5063 GPRESSAVG: 212600 -63.4027 15.8481 17.3883 20.907 35.836 40.5713 16.315 41.8899 25.4509 TIMING: 212600 CPU: 634.865, 0.00300984/step Wall: 634.865, 0.00300984/step, 4.00258 hours remaining, 206.109375 MB of memory in use. ENERGY: 212600 724.6367 2107.2148 1913.9419 98.7875 -205922.8871 17773.0634 0.0000 0.0000 34217.3022 -149087.9407 298.8282 -183305.2428 -148992.0710 299.0989 11.6376 45.1606 558084.9551 -0.6123 -0.7053 PRESSURE: 212800 96.2107 63.6078 95.4268 63.6078 -26.9385 11.3301 95.4261 11.3296 -79.201 GPRESSURE: 212800 156.467 36.9334 4.57036 114.01 -42.3439 11.0297 73.9946 -62.7279 -32.3327 PRESSAVG: 212800 -31.8001 -27.5489 90.5588 -27.5489 -42.163 -15.8809 90.5588 -15.8809 28.1458 GPRESSAVG: 212800 -30.2791 -25.8582 89.9996 -28.8088 -40.9756 -14.6758 90.8428 -16.7087 25.7286 TIMING: 212800 CPU: 635.467, 0.00301012/step Wall: 635.467, 0.00301012/step, 4.00279 hours remaining, 206.109375 MB of memory in use. ENERGY: 212800 680.7522 2072.8040 1925.7983 117.0470 -205818.9348 17632.0995 0.0000 0.0000 34363.1168 -149027.3171 300.1016 -183390.4339 -148931.2438 299.8847 -3.3096 27.2633 557799.4073 -15.2725 -15.1754 PRESSURE: 213000 -62.2333 15.9023 -28.0787 15.9009 120.662 12.368 -28.0772 12.3678 -117.513 GPRESSURE: 213000 0.991419 -9.60226 33.9603 -5.82283 132.277 -43.2402 22.363 32.7361 -84.484 PRESSAVG: 213000 35.0227 49.7579 18.0811 49.7579 4.26582 24.5766 18.0813 24.5767 -35.1408 GPRESSAVG: 213000 33.8489 48.3633 17.4025 47.2118 3.67824 27.3685 18.9032 23.4104 -33.2965 TIMING: 213000 CPU: 636.062, 0.00297574/step Wall: 636.062, 0.00297574/step, 3.95691 hours remaining, 206.109375 MB of memory in use. ENERGY: 213000 758.3164 2064.1055 1928.9022 106.0464 -206001.1004 17713.7506 0.0000 0.0000 34290.7096 -149139.2698 299.4693 -183429.9794 -149039.2753 299.9913 -19.6950 16.2616 557515.4384 1.3826 1.4102 PRESSURE: 213200 -104.992 198.056 -36.6705 198.056 -134.685 76.6519 -36.671 76.6528 -85.6872 GPRESSURE: 213200 -48.2845 176.523 33.205 203.358 -101.24 34.2365 -9.14839 88.1489 -66.8349 PRESSAVG: 213200 -3.27269 -9.35086 23.5999 -9.35083 -19.7996 -37.583 23.5998 -37.583 16.2475 GPRESSAVG: 213200 -2.38073 -7.74185 28.0507 -8.46841 -19.6096 -39.6506 22.4512 -35.1115 15.5089 TIMING: 213200 CPU: 636.657, 0.00297311/step Wall: 636.657, 0.00297311/step, 3.95325 hours remaining, 206.109375 MB of memory in use. ENERGY: 213200 714.1075 2087.2002 1929.8600 117.6040 -206360.7305 17772.4754 0.0000 0.0000 34429.5931 -149309.8902 300.6822 -183739.4833 -149220.3068 299.3760 -108.4547 -72.1199 558167.2872 -2.2750 -2.1605 PRESSURE: 213400 -149.924 33.6548 -66.0721 33.6551 -197.439 9.87944 -66.0709 9.87773 -281.524 GPRESSURE: 213400 -88.6533 32.5293 -61.8664 24.9728 -171.52 -23.7876 -54.2383 95.9173 -262.371 PRESSAVG: 213400 17.3225 34.3775 47.2985 34.3775 -9.398 -16.9536 47.2986 -16.9537 -15.689 GPRESSAVG: 213400 17.3767 32.8182 45.0572 34.8606 -9.97511 -18.8874 48.2118 -17.1105 -15.1528 TIMING: 213400 CPU: 637.247, 0.00295051/step Wall: 637.247, 0.00295051/step, 3.92303 hours remaining, 206.109375 MB of memory in use. ENERGY: 213400 741.7165 2136.4755 1916.3588 110.3258 -205953.4532 17437.9445 0.0000 0.0000 34284.1879 -149326.4440 299.4123 -183610.6320 -149232.5679 298.8746 -209.6290 -174.1813 558144.9619 -2.5882 -2.5837 PRESSURE: 213600 -153.274 30.5254 -135.847 30.5233 -138.172 -153.937 -135.846 -153.936 -326.649 GPRESSURE: 213600 -77.4808 44.2846 -178.288 35.343 -105.72 -169.59 -216.63 -125.003 -329.382 PRESSAVG: 213600 -26.2258 42.3112 -2.17249 42.3112 -2.28877 31.2469 -2.17242 31.2468 20.1673 GPRESSAVG: 213600 -27.9558 44.2613 -4.07716 39.6723 -1.13577 32.3839 -2.62772 30.7432 19.9775 TIMING: 213600 CPU: 637.837, 0.0029484/step Wall: 637.837, 0.0029484/step, 3.92006 hours remaining, 206.109375 MB of memory in use. ENERGY: 213600 749.4882 2113.9799 1950.8160 116.3227 -206252.0376 17736.2493 0.0000 0.0000 34191.5360 -149393.6456 298.6032 -183585.1815 -149289.0759 298.9818 -206.0317 -170.8610 558411.7915 -2.7824 -3.0380 PRESSURE: 213800 -235.858 -59.1049 22.5911 -59.105 -253.72 -125.107 22.591 -125.108 -64.4448 GPRESSURE: 213800 -219.479 -2.32895 -35.3462 -39.8786 -183.179 -106.553 117.147 -121.033 -50.1131 PRESSAVG: 213800 25.3143 28.4251 -5.92825 28.4251 -32.2975 44.0559 -5.92828 44.056 6.05392 GPRESSAVG: 213800 27.637 27.1876 -5.68318 29.8557 -33.6453 43.6884 -6.14864 42.4364 5.39803 TIMING: 213800 CPU: 638.43, 0.00296622/step Wall: 638.43, 0.00296622/step, 3.94359 hours remaining, 206.109375 MB of memory in use. ENERGY: 213800 754.4753 2092.2721 1973.5157 115.9022 -205959.4329 17609.0387 0.0000 0.0000 34203.9488 -149210.2801 298.7116 -183414.2289 -149113.5894 299.2331 -184.6745 -150.9234 559012.4382 -0.3097 -0.2034 PRESSURE: 214000 13.5709 -25.9647 61.829 -25.9649 -21.614 -63.5091 61.8277 -63.5082 405.461 GPRESSURE: 214000 65.5418 -27.9082 23.5032 -48.7233 -2.11992 -180.351 123.384 -30.2893 423.602 PRESSAVG: 214000 -27.2355 29.662 5.3371 29.6619 11.5469 -18.8272 5.3371 -18.8272 11.9387 GPRESSAVG: 214000 -27.8916 30.3456 6.03629 29.4129 12.6289 -17.0545 4.94657 -17.7487 10.7471 TIMING: 214000 CPU: 639.02, 0.00295203/step Wall: 639.02, 0.00295204/step, 3.92457 hours remaining, 206.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 214000 781.7089 2090.9554 1941.3093 105.4319 -206436.7473 18073.9877 0.0000 0.0000 34418.9965 -149024.3576 300.5897 -183443.3541 -148924.9925 300.1127 132.4725 162.3411 557397.5288 -1.2500 -1.5052 PRESSURE: 214200 92.4377 -79.0494 45.9963 -79.05 -159.506 129.581 45.9963 129.581 75.3332 GPRESSURE: 214200 142.922 -51.3041 142.944 -143.401 -139.009 133.391 17.1051 29.2309 95.4739 PRESSAVG: 214200 24.2114 24.7348 13.8732 24.7348 -78.5415 1.60148 13.8731 1.6015 80.3254 GPRESSAVG: 214200 23.6562 22.9309 14.3124 25.6019 -79.3956 1.95441 15.3253 0.36462 81.171 TIMING: 214200 CPU: 639.616, 0.00297989/step Wall: 639.616, 0.00297989/step, 3.96144 hours remaining, 206.109375 MB of memory in use. ENERGY: 214200 740.7581 2089.0715 1937.8141 103.7321 -206070.0757 17704.8117 0.0000 0.0000 34565.3971 -148928.4911 301.8682 -183493.8882 -148827.3634 300.4411 2.7551 33.1291 556570.8575 8.6651 8.4772 PRESSURE: 214400 151.206 101.378 -26.9532 101.379 13.632 201.838 -26.9538 201.838 132.737 GPRESSURE: 214400 157.138 86.4144 -103.514 139.404 97.31 133.136 18.7 219.73 140.195 PRESSAVG: 214400 -21.306 20.5987 -26.4969 20.5987 45.1662 43.89 -26.4969 43.8901 59.8655 GPRESSAVG: 214400 -20.7332 20.4917 -26.7431 20.9909 44.1961 43.3935 -27.9392 45.634 60.0476 TIMING: 214400 CPU: 640.218, 0.00300813/step Wall: 640.218, 0.00300813/step, 3.99881 hours remaining, 206.109375 MB of memory in use. ENERGY: 214400 755.3758 2031.4280 1944.4925 112.4221 -206039.3380 17885.0792 0.0000 0.0000 34250.7721 -149059.7683 299.1205 -183310.5405 -148951.2173 300.1687 99.1916 131.5476 558004.9870 27.9086 27.8368 PRESSURE: 214600 148.836 -133.924 -3.20511 -133.924 33.7808 -5.26588 -3.20604 -5.26487 -91.2871 GPRESSURE: 214600 163.934 -72.2943 -84.5078 -98.7176 127.784 6.05459 73.7538 -21.2542 -99.2386 PRESSAVG: 214600 9.81561 -9.70609 -23.492 -9.70601 -9.55483 -3.55512 -23.492 -3.55518 17.7659 GPRESSAVG: 214600 9.48913 -6.85315 -25.4079 -11.3569 -9.05607 -3.46965 -19.6564 -3.90894 17.635 TIMING: 214600 CPU: 640.817, 0.00299307/step Wall: 640.817, 0.00299307/step, 3.97862 hours remaining, 206.109375 MB of memory in use. ENERGY: 214600 727.7069 2048.4749 1924.1485 113.2866 -206316.4192 17888.2833 0.0000 0.0000 34434.9713 -149179.5477 300.7292 -183614.5190 -149086.8350 298.8249 30.4432 64.1597 557230.9586 6.0089 6.0227 PRESSURE: 214800 -103.404 -78.1842 -32.3114 -78.1848 -103.821 104.498 -32.3127 104.498 -101.446 GPRESSURE: 214800 -72.6292 -88.0373 -14.8439 -115.928 -61.8536 140.785 -66.0941 113.928 -69.7227 PRESSAVG: 214800 160.304 -62.6022 3.73861 -62.6022 -49.471 22.0095 3.73863 22.0095 -106.235 GPRESSAVG: 214800 160.279 -65.6925 6.65016 -61.1709 -49.1014 21.7954 -0.536268 23.1043 -106.493 TIMING: 214800 CPU: 641.417, 0.00300039/step Wall: 641.417, 0.00300039/step, 3.98819 hours remaining, 206.109375 MB of memory in use. ENERGY: 214800 720.4015 2054.9119 1951.7574 107.2445 -205825.8745 17575.0017 0.0000 0.0000 34307.7728 -149108.7847 299.6183 -183416.5575 -149013.7519 299.1799 -102.8907 -68.0685 559414.4013 1.5328 1.5615 PRESSURE: 215000 -46.1879 -60.2983 92.0582 -60.3 -174.814 104.202 92.0585 104.202 -72.4018 GPRESSURE: 215000 -60.4874 -11.2741 167.469 -145.475 -114.956 107.055 1.86121 3.18905 -26.7612 PRESSAVG: 215000 36.1314 30.5966 27.5945 30.5966 -44.0918 40.2788 27.5945 40.2788 -22.3387 GPRESSAVG: 215000 36.0263 31.1919 25.5149 29.9812 -45.502 39.6734 28.1034 38.5731 -21.2084 TIMING: 215000 CPU: 642.018, 0.00300798/step Wall: 642.018, 0.00300798/step, 3.9981 hours remaining, 206.109375 MB of memory in use. ENERGY: 215000 713.0673 2142.3821 1962.5269 109.2129 -205985.3807 17606.5139 0.0000 0.0000 34227.7398 -149223.9379 298.9194 -183451.6777 -149126.4566 299.7799 -97.8012 -67.4015 557294.3384 -10.0997 -10.2280 PRESSURE: 215200 -17.2799 47.3106 -34.0987 47.311 -5.13836 -124.739 -34.098 -124.74 -156.502 GPRESSURE: 215200 45.1874 67.422 28.9889 79.368 -2.97171 -165.369 88.1586 -104.046 -140.764 PRESSAVG: 215200 16.7406 38.2521 20.0855 38.2523 15.1247 -27.0199 20.0855 -27.02 -22.85 GPRESSAVG: 215200 16.5897 38.5547 20.7404 40.006 15.3305 -27.0237 22.117 -26.4616 -22.6255 TIMING: 215200 CPU: 642.625, 0.00303336/step Wall: 642.625, 0.00303336/step, 4.03167 hours remaining, 206.109375 MB of memory in use. ENERGY: 215200 735.9042 2070.8170 1946.4453 123.6394 -206076.9629 17687.8140 0.0000 0.0000 34336.9696 -149175.3735 299.8733 -183512.3431 -149073.3370 299.7613 -59.6402 -32.8496 556839.7379 3.0051 3.0982 PRESSURE: 215400 -324.859 21.2786 -46.2687 21.2785 -91.1187 -53.3247 -46.268 -53.3254 16.114 GPRESSURE: 215400 -299.178 -52.5024 -120.906 45.7278 -22.8018 -42.6638 -98.0662 -5.0792 17.0571 PRESSAVG: 215400 30.8243 -6.00797 -12.9147 -6.00802 8.21659 -2.84265 -12.9146 -2.84261 -49.8481 GPRESSAVG: 215400 31.9048 -6.04324 -12.084 -6.0984 9.14268 -1.22659 -14.056 -4.22176 -51.8135 TIMING: 215400 CPU: 643.223, 0.00299198/step Wall: 643.223, 0.00299198/step, 3.9765 hours remaining, 206.109375 MB of memory in use. ENERGY: 215400 728.6451 2054.8577 1978.3773 115.0305 -205671.1474 17447.2484 0.0000 0.0000 34059.0470 -149287.9414 297.4461 -183346.9884 -149191.1727 299.3052 -133.2878 -101.6408 557296.2298 -3.6024 -3.5887 PRESSURE: 215600 -260.105 -120.84 132.785 -120.84 9.44079 -19.3984 132.786 -19.3998 -219.945 GPRESSURE: 215600 -217.541 -54.0604 117.224 -168.313 1.77867 -37.4882 149.933 -36.8259 -144.443 PRESSAVG: 215600 -3.42735 4.46234 13.9314 4.46239 29.6118 -37.892 13.9313 -37.892 -25.8317 GPRESSAVG: 215600 -3.34247 5.24334 12.0861 4.35738 28.7107 -39.9577 14.6398 -36.7452 -24.9994 TIMING: 215600 CPU: 643.82, 0.0029813/step Wall: 643.82, 0.0029813/step, 3.96215 hours remaining, 206.281250 MB of memory in use. ENERGY: 215600 705.0589 2076.3701 1966.7191 105.1388 -205768.0787 17411.3846 0.0000 0.0000 33997.6950 -149505.7122 296.9103 -183503.4072 -149413.3420 298.6637 -156.8698 -120.0684 558488.8670 0.1176 0.1230 PRESSURE: 215800 -114.121 114.125 -32.3222 114.126 -275.059 -60.2672 -32.3218 -60.2672 -204.209 GPRESSURE: 215800 -74.8931 110.046 -3.00994 33.8598 -264.399 -32.13 -24.6383 -31.9922 -160.914 PRESSAVG: 215800 77.451 -35.4946 -0.141617 -35.4946 31.6798 10.897 -0.141579 10.8969 -54.7752 GPRESSAVG: 215800 77.0581 -35.6139 0.195707 -36.3564 31.3132 13.0249 -0.797955 10.952 -54.3366 TIMING: 215800 CPU: 644.422, 0.00301107/step Wall: 644.422, 0.00301107/step, 4.00155 hours remaining, 206.281250 MB of memory in use. ENERGY: 215800 780.1379 2124.7550 1939.2391 114.8552 -206538.5602 17701.9836 0.0000 0.0000 34321.1544 -149556.4351 299.7352 -183877.5895 -149461.5295 298.3387 -197.7962 -166.7353 558624.4974 18.1185 18.0116 PRESSURE: 216000 -47.642 -110.799 -14.6179 -110.798 -121.752 -92.5148 -14.6173 -92.5153 94.3493 GPRESSURE: 216000 22.9228 -115.051 -55.7909 -75.4234 -118.125 -101.966 -68.1017 -80.7829 122.353 PRESSAVG: 216000 70.5901 -32.2872 -7.49667 -32.2872 -94.2254 -68.106 -7.4967 -68.106 24.7643 GPRESSAVG: 216000 70.9824 -31.5925 -5.30621 -33.8859 -94.3912 -70.9337 -10.1182 -67.8219 24.3999 TIMING: 216000 CPU: 645.023, 0.00300682/step Wall: 645.023, 0.00300681/step, 3.99572 hours remaining, 206.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 216000 726.3642 2083.0172 1929.3039 99.8790 -206385.2860 17798.1537 0.0000 0.0000 34273.3467 -149475.2213 299.3177 -183748.5680 -149382.2725 297.9571 -25.0151 9.0504 557775.4437 0.3763 0.3303 PRESSURE: 216200 -320.713 -95.175 6.70378 -95.1749 -100.259 98.6349 6.7041 98.6342 -46.6686 GPRESSURE: 216200 -273.868 -96.3821 -30.1847 -154.257 -13.3381 95.057 46.1019 84.4325 -83.139 PRESSAVG: 216200 -35.0024 -9.15301 -0.889012 -9.153 -14.0744 -52.612 -0.888905 -52.6119 28.5518 GPRESSAVG: 216200 -35.8321 -7.37141 -1.93672 -9.58333 -13.3611 -50.376 0.676683 -54.6199 28.9069 TIMING: 216200 CPU: 645.62, 0.00298305/step Wall: 645.62, 0.00298306/step, 3.96398 hours remaining, 206.281250 MB of memory in use. ENERGY: 216200 749.6226 2082.9113 1952.5650 103.5678 -205805.7761 17471.6587 0.0000 0.0000 34022.1739 -149423.2768 297.1241 -183445.4507 -149323.5224 298.4891 -155.8804 -123.4485 557799.8977 -6.8417 -6.7621 LDB: ============= START OF LOAD BALANCING ============== 649.173 LDB: ============== END OF LOAD BALANCING =============== 649.173 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 649.174 LDB: ============= START OF LOAD BALANCING ============== 649.475 LDB: Largest compute 4773 load 0.027910 is 23.6% of average load 0.118053 LDB: Average compute 0.001732 is 1.5% of average load 0.118053 LDB: TIME 649.478 LOAD: AVG 0.118053 MAX 0.20672 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.012 MB LDB: TIME 649.478 LOAD: AVG 0.118053 MAX 0.206721 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.094 MB LDB: TIME 649.478 LOAD: AVG 0.118053 MAX 0.206721 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.094 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 649.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 649.484 PRESSURE: 216400 -182.991 24.8828 24.8675 24.883 -287.771 2.53749 24.8664 2.54013 -256.57 GPRESSURE: 216400 -142.98 78.9749 1.82547 4.26488 -268.414 69.3191 42.1482 -34.847 -219.395 PRESSAVG: 216400 15.3598 2.81128 21.2006 2.8113 43.3054 -53.8829 21.2005 -53.883 -54.5644 GPRESSAVG: 216400 16.6565 -0.0518248 19.1234 4.96411 44.6063 -54.5301 22.6986 -50.5639 -56.5119 TIMING: 216400 CPU: 646.234, 0.0030713/step Wall: 646.234, 0.0030713/step, 4.08108 hours remaining, 205.753906 MB of memory in use. ENERGY: 216400 746.1822 2148.1653 1933.7935 117.1733 -205774.4501 17419.9720 0.0000 0.0000 34058.6290 -149350.5348 297.4425 -183409.1638 -149252.4292 298.2391 -242.4439 -210.2631 558400.4549 1.3669 1.5836 PRESSURE: 216600 -101.954 39.5829 -198.245 39.5831 -304.742 89.8848 -198.245 89.8837 -185.937 GPRESSURE: 216600 -104.411 73.9434 -248.413 80.6044 -272.918 -33.9173 -225.253 73.8781 -114.985 PRESSAVG: 216600 -22.9443 -49.1428 11.5188 -49.1429 11.9285 -35.2685 11.5189 -35.2687 10.3563 GPRESSAVG: 216600 -23.3419 -47.4248 14.3918 -49.4503 10.1529 -34.4957 9.64845 -36.8963 11.7581 TIMING: 216600 CPU: 646.832, 0.00299009/step Wall: 646.832, 0.00299009/step, 3.97299 hours remaining, 205.996094 MB of memory in use. ENERGY: 216600 736.6118 2104.4178 1929.1231 115.0991 -205674.7623 17448.1873 0.0000 0.0000 34120.7886 -149220.5346 297.9853 -183341.3232 -149124.4536 298.8714 -197.5442 -164.1049 558007.7991 -0.2198 -0.4770 PRESSURE: 216800 -239.267 -69.8273 129.949 -69.8254 15.3233 -41.793 129.948 -41.7927 -100.609 GPRESSURE: 216800 -264.779 -70.7032 89.7118 -115.745 81.9726 -143.274 241.241 -7.67998 -37.2643 PRESSAVG: 216800 -31.2131 -52.0772 -26.0419 -52.0772 51.0024 -38.2288 -26.0419 -38.2287 -30.083 GPRESSAVG: 216800 -31.1884 -54.4544 -26.8962 -49.4233 51.6222 -38.3486 -25.9245 -38.5437 -30.2793 TIMING: 216800 CPU: 647.433, 0.00300269/step Wall: 647.433, 0.00300269/step, 3.98957 hours remaining, 205.996094 MB of memory in use. ENERGY: 216800 719.3745 2133.4799 1966.5883 115.5335 -205942.4115 17632.0126 0.0000 0.0000 34322.4908 -149052.9320 299.7468 -183375.4228 -148959.5414 299.4950 -108.1843 -73.3569 557816.0637 -3.4312 -3.2819 PRESSURE: 217000 19.513 134.523 77.2351 134.523 -167.177 -168.446 77.2339 -168.447 92.3094 GPRESSURE: 217000 25.7476 92.9277 55.1804 21.5962 -95.0608 -96.8146 65.4475 -189.573 119.611 PRESSAVG: 217000 -80.4098 22.5685 3.17119 22.5684 71.3488 -60.095 3.17108 -60.0951 0.790238 GPRESSAVG: 217000 -81.7407 25.6733 2.59371 18.5148 71.0378 -60.3845 2.48206 -58.5936 2.85054 TIMING: 217000 CPU: 648.025, 0.00296017/step Wall: 648.025, 0.00296017/step, 3.93291 hours remaining, 205.996094 MB of memory in use. ENERGY: 217000 768.9916 2082.5815 1947.2221 113.7595 -206059.8561 17760.4721 0.0000 0.0000 34178.3202 -149208.5091 298.4878 -183386.8293 -149117.0159 299.2922 -18.4514 16.7658 556032.6001 -2.7569 -2.6175 PRESSURE: 217200 -216.03 -203.96 124.022 -203.96 -15.4908 -48.3885 124.021 -48.3876 136.234 GPRESSURE: 217200 -171.321 -291.155 105.795 -142.454 33.1246 -73.0516 114.255 -10.527 137.748 PRESSAVG: 217200 25.6185 9.01896 -3.26622 9.01904 -6.06127 -23.0845 -3.26627 -23.0844 38.5532 GPRESSAVG: 217200 26.5229 8.82442 -4.92002 8.71146 -5.60783 -23.3256 -1.35302 -23.854 37.1684 TIMING: 217200 CPU: 648.618, 0.00296499/step Wall: 648.618, 0.00296499/step, 3.93916 hours remaining, 205.996094 MB of memory in use. ENERGY: 217200 734.2823 2120.7219 1929.7419 118.8993 -206099.5102 17661.1384 0.0000 0.0000 34474.4530 -149060.2734 301.0740 -183534.7265 -148961.5164 299.6575 -31.7623 -0.1495 556889.2042 19.3701 19.3611 PRESSURE: 217400 -344.014 -37.8624 118.052 -37.8604 94.7991 123.188 118.053 123.187 102.108 GPRESSURE: 217400 -296.058 28.3463 120.506 14.2816 158.791 153.463 65.8657 -5.44456 96.7771 PRESSAVG: 217400 -28.8222 11.8434 19.5725 11.8435 72.2142 -38.9749 19.5726 -38.975 28.4059 GPRESSAVG: 217400 -28.2391 11.1375 20.2411 11.9801 72.4542 -38.0722 18.6747 -40.7904 27.6166 TIMING: 217400 CPU: 649.21, 0.0029646/step Wall: 649.21, 0.0029646/step, 3.93847 hours remaining, 205.996094 MB of memory in use. ENERGY: 217400 744.7822 2111.9641 1951.5525 128.8804 -205950.4045 17662.1069 0.0000 0.0000 34283.3990 -149067.7194 299.4055 -183351.1184 -148969.6973 299.6778 -49.0356 -13.4967 557731.8909 23.9327 23.9439 PRESSURE: 217600 -71.0624 14.2739 34.902 14.2731 60.5548 -116.066 34.9021 -116.067 108.963 GPRESSURE: 217600 -6.40734 18.352 116.778 -30.6649 99.3557 -59.1027 34.6401 -135.372 99.4468 PRESSAVG: 217600 -3.78935 -32.6594 42.8465 -32.6594 -17.2044 -16.1429 42.8465 -16.143 46.1093 GPRESSAVG: 217600 -3.83917 -33.1862 41.3178 -30.2787 -17.2087 -17.2622 44.7756 -15.5686 45.8654 TIMING: 217600 CPU: 649.805, 0.00297212/step Wall: 649.805, 0.00297212/step, 3.94829 hours remaining, 206.113281 MB of memory in use. ENERGY: 217600 747.0586 2071.2751 1942.1150 103.4719 -206282.9691 17798.7117 0.0000 0.0000 34380.9275 -149239.4093 300.2572 -183620.3368 -149147.3490 299.4273 32.8186 64.1317 557227.8050 8.3719 8.2725 PRESSURE: 217800 -174.682 122.849 16.9201 122.85 -164.503 19.3339 16.9193 19.3326 4.71048 GPRESSURE: 217800 -118.322 150.206 19.5672 117.736 -184.853 -4.1913 -16.2092 -9.97191 65.5977 PRESSAVG: 217800 -43.4528 -14.5914 59.2643 -14.5913 -57.3665 -4.78483 59.2643 -4.78485 49.8714 GPRESSAVG: 217800 -44.1217 -14.1123 60.0553 -15.6968 -57.2358 -4.23763 57.2971 -4.89554 50.4022 TIMING: 217800 CPU: 650.399, 0.00297117/step Wall: 650.399, 0.00297117/step, 3.94687 hours remaining, 206.113281 MB of memory in use. ENERGY: 217800 781.3174 2075.9489 1985.4384 103.7497 -206185.0345 17889.2888 0.0000 0.0000 34207.3811 -149141.9103 298.7416 -183349.2914 -149049.1047 299.1762 -111.4915 -79.1925 559661.0634 -16.9826 -16.9851 PRESSURE: 218000 -230.471 59.2455 94.3454 59.2457 -81.9261 8.87041 94.3439 8.87248 38.7946 GPRESSURE: 218000 -166.679 -40.9406 23.9999 108.52 -51.4057 63.2326 121.263 -21.6922 35.772 PRESSAVG: 218000 24.3339 -33.9805 17.5515 -33.9805 -12.8935 6.12638 17.5514 6.12646 21.2488 GPRESSAVG: 218000 25.021 -36.5263 17.9131 -32.4611 -13.2317 3.9131 17.5381 6.68722 21.4661 TIMING: 218000 CPU: 650.997, 0.00299079/step Wall: 650.997, 0.00299079/step, 3.97276 hours remaining, 206.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 218000 788.7968 2107.6218 1932.1448 114.7486 -206227.0224 17840.6081 0.0000 0.0000 34349.6765 -149093.4259 299.9843 -183443.1024 -148997.5707 299.1228 -91.2008 -60.7709 559628.0862 10.8964 11.0852 PRESSURE: 218200 -125.762 -224.457 -39.5578 -224.457 -399.964 210.972 -39.5585 210.972 -125.044 GPRESSURE: 218200 -112.266 -186.093 47.1525 -262.689 -376.989 283.867 -22.7502 149.573 -50.6878 PRESSAVG: 218200 -25.6623 38.5861 21.8581 38.5861 -51.4484 24.4399 21.858 24.4397 81.8382 GPRESSAVG: 218200 -26.9874 40.5494 21.7933 38.3137 -48.9939 27.1319 22.4594 26.5741 81.3723 TIMING: 218200 CPU: 651.594, 0.00298421/step Wall: 651.594, 0.00298421/step, 3.96386 hours remaining, 206.113281 MB of memory in use. ENERGY: 218200 764.5440 2058.2175 1955.7355 115.4265 -206014.7389 17770.4092 0.0000 0.0000 34315.0079 -149035.3982 299.6815 -183350.4061 -148934.0517 299.4001 -216.9231 -179.9811 559830.6734 1.5759 1.7970 PRESSURE: 218400 216.873 -74.6615 -66.8141 -74.6623 37.7389 -110.137 -66.8164 -110.136 -94.0034 GPRESSURE: 218400 221.662 -42.7643 -13.5098 -68.2127 45.5721 -130.283 -74.7094 -108.472 -12.3999 PRESSAVG: 218400 39.366 -59.976 -15.5421 -59.976 -60.201 35.495 -15.542 35.4951 17.9595 GPRESSAVG: 218400 40.5095 -59.2388 -15.0787 -62.3097 -61.0214 35.6965 -16.553 31.9151 17.6864 TIMING: 218400 CPU: 652.192, 0.00299057/step Wall: 652.192, 0.00299057/step, 3.97215 hours remaining, 206.113281 MB of memory in use. ENERGY: 218400 730.7882 2129.3575 1940.2995 113.0310 -206299.3297 17936.1916 0.0000 0.0000 34444.7048 -149004.9570 300.8142 -183449.6618 -148905.2088 300.6308 53.5361 84.9446 558423.2689 -0.9585 -0.9418 PRESSURE: 218600 100.775 -35.3096 -73.6349 -35.3093 172.173 114.573 -73.6348 114.57 1.38195 GPRESSURE: 218600 65.0674 38.9455 -92.4191 -0.45343 193.908 95.928 -142.64 132.607 107.213 PRESSAVG: 218600 61.5302 -26.3593 54.4674 -26.3592 -54.7199 9.89788 54.4674 9.89779 -12.3541 GPRESSAVG: 218600 61.5962 -27.6715 52.3869 -24.2486 -55.7917 10.33 54.3168 11.228 -11.012 TIMING: 218600 CPU: 652.789, 0.00298245/step Wall: 652.789, 0.00298245/step, 3.96119 hours remaining, 206.113281 MB of memory in use. ENERGY: 218600 769.7963 2090.7240 1948.5177 106.4923 -206317.0086 18038.7328 0.0000 0.0000 34308.1534 -149054.5921 299.6216 -183362.7455 -148956.1124 299.4403 91.4434 122.0629 560023.8561 -1.8479 -1.7359 PRESSURE: 218800 -57.5056 -53.3995 98.1184 -53.3998 56.3473 69.882 98.1171 69.8816 -162.588 GPRESSURE: 218800 14.8628 -4.45184 29.5732 -0.430442 122.877 19.8792 68.6202 41.8127 -217.156 PRESSAVG: 218800 1.94688 -25.9686 42.0868 -25.9686 41.3865 -25.6241 42.0867 -25.624 -58.5368 GPRESSAVG: 218800 2.52185 -23.329 44.823 -26.1829 41.4392 -27.1599 41.607 -24.3718 -59.0318 TIMING: 218800 CPU: 653.384, 0.00297612/step Wall: 653.384, 0.00297612/step, 3.95262 hours remaining, 206.113281 MB of memory in use. ENERGY: 218800 735.6505 2115.1913 1935.5010 110.2659 -206184.7184 17763.0222 0.0000 0.0000 34383.5704 -149141.5169 300.2803 -183525.0873 -149047.7911 299.3843 -54.5823 -26.4721 558783.2097 -5.0678 -5.0236 PRESSURE: 219000 -95.3266 -122.557 -38.6527 -122.557 -116.881 -106.193 -38.6531 -106.195 49.3082 GPRESSURE: 219000 -93.7986 -124.25 -31.523 -127.199 -29.9439 -137.793 -35.7891 -78.116 44.2468 PRESSAVG: 219000 38.7426 -49.9491 51.7656 -49.9491 -8.58814 -62.5887 51.7656 -62.5888 -20.5573 GPRESSAVG: 219000 37.1426 -50.8011 52.2433 -49.5862 -8.37392 -62.0708 51.8173 -65.4996 -20.0847 TIMING: 219000 CPU: 653.98, 0.00298057/step Wall: 653.98, 0.00298057/step, 3.95836 hours remaining, 206.113281 MB of memory in use. ENERGY: 219000 769.9299 2058.9411 1950.6638 106.2129 -206336.7952 17939.1566 0.0000 0.0000 34391.1065 -149120.7845 300.3461 -183511.8910 -149023.7577 299.8403 -54.2997 -26.4985 558651.3415 3.1990 2.8947 PRESSURE: 219200 67.1497 34.0345 -165.645 34.0346 21.4183 -102.086 -165.644 -102.085 102.082 GPRESSURE: 219200 57.1373 -26.6825 -239.052 41.7584 98.7355 -105.982 -166.665 -76.0786 124.835 PRESSAVG: 219200 -26.1296 13.7976 -11.8959 13.7975 -2.21192 -20.0102 -11.8959 -20.0102 -31.3014 GPRESSAVG: 219200 -24.464 13.1818 -14.3077 14.8538 -3.41102 -19.2567 -9.97323 -17.3914 -31.6775 TIMING: 219200 CPU: 654.573, 0.00296365/step Wall: 654.573, 0.00296365/step, 3.93572 hours remaining, 206.113281 MB of memory in use. ENERGY: 219200 757.1977 2132.1330 1927.8801 112.6551 -206452.4233 17988.6688 0.0000 0.0000 34598.9559 -148934.9328 302.1613 -183533.8887 -148840.2379 300.1233 63.5499 93.5694 556777.5302 -19.8810 -19.8509 PRESSURE: 219400 48.1252 121.485 114.134 121.484 34.7943 -62.7487 114.134 -62.748 35.1297 GPRESSURE: 219400 97.3498 81.9453 120.634 151.202 62.4601 -111.625 83.02 -21.6382 65.3679 PRESSAVG: 219400 11.2103 53.0315 10.7981 53.0316 24.0446 21.7296 10.798 21.7296 -2.97256 GPRESSAVG: 219400 10.4032 51.443 14.5929 52.9164 24.5332 20.9761 8.11481 23.7516 -2.49646 TIMING: 219400 CPU: 655.17, 0.00298737/step Wall: 655.17, 0.00298737/step, 3.96706 hours remaining, 206.113281 MB of memory in use. ENERGY: 219400 783.2021 2131.2777 1898.7970 124.1188 -206426.5350 17976.5060 0.0000 0.0000 34574.7622 -148937.8712 301.9500 -183512.6334 -148840.3861 300.2803 39.3497 75.0593 558481.5974 10.7608 10.8133 PRESSURE: 219600 -105.878 79.2128 31.1051 79.2122 13.1619 17.3693 31.1053 17.3687 -68.1827 GPRESSURE: 219600 -40.7871 60.3788 -49.1724 42.4333 40.4429 4.48626 122.912 21.93 -56.5599 PRESSAVG: 219600 -22.5355 32.2861 -45.8495 32.2861 30.7524 -21.7916 -45.8495 -21.7916 -5.98477 GPRESSAVG: 219600 -23.523 34.0789 -49.9535 30.122 30.5391 -21.846 -42.4417 -24.3337 -4.47065 TIMING: 219600 CPU: 655.774, 0.00301699/step Wall: 655.774, 0.00301699/step, 4.00623 hours remaining, 206.113281 MB of memory in use. ENERGY: 219600 750.6982 2054.4402 1953.6407 122.3942 -206109.6151 17765.3420 0.0000 0.0000 34258.3426 -149204.7572 299.1866 -183463.0998 -149109.4696 299.6637 -53.6330 -18.9680 558171.9852 0.7440 0.8485 PRESSURE: 219800 140.208 -61.3669 -113.921 -61.3668 173.948 -280.799 -113.921 -280.8 152.282 GPRESSURE: 219800 240.073 -112.244 -64.978 -26.6866 183.934 -275.427 -121.754 -129.781 130.941 PRESSAVG: 219800 14.9415 39.3089 -11.0948 39.3088 60.8228 10.8124 -11.0948 10.8125 -51.3267 GPRESSAVG: 219800 16.7537 39.4215 -10.156 41.1087 60.2344 9.77869 -12.4813 13.8182 -52.5679 TIMING: 219800 CPU: 656.373, 0.00299637/step Wall: 656.373, 0.00299637/step, 3.97867 hours remaining, 206.113281 MB of memory in use. ENERGY: 219800 715.7318 2147.3845 1942.4580 115.5258 -206374.5385 18010.5977 0.0000 0.0000 34206.7020 -149236.1388 298.7356 -183442.8407 -149146.1743 299.5672 155.4793 184.9826 556735.1724 8.1458 8.1400 PRESSURE: 220000 8.84329 -155.746 206.04 -155.746 -11.3574 46.0348 206.039 46.0337 -65.4509 GPRESSURE: 220000 -33.8227 -124.153 197.633 -132.249 60.9036 92.282 207.063 48.1913 -5.35143 PRESSAVG: 220000 76.6931 57.9719 28.9786 57.972 -6.60778 -50.6603 28.9786 -50.6601 -20.0744 GPRESSAVG: 220000 74.7496 55.6902 29.4041 58.4254 -4.60994 -49.3881 27.6516 -53.0038 -20.3255 TIMING: 220000 CPU: 656.973, 0.00300111/step Wall: 656.973, 0.00300111/step, 3.98481 hours remaining, 206.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 220000 735.1512 2101.1704 1945.8626 130.5095 -205875.9264 17642.1255 0.0000 0.0000 34343.6733 -148977.4339 299.9318 -183321.1072 -148874.7981 299.7135 -22.6550 7.2431 557959.7501 16.6703 16.6047 PRESSURE: 220200 126.537 69.9051 104.276 69.9051 155.466 -117.648 104.276 -117.647 246.368 GPRESSURE: 220200 156.469 53.176 91.8807 45.432 174.382 -7.84348 98.7988 -132.145 286.093 PRESSAVG: 220200 36.3289 31.3156 -19.8806 31.3156 -1.0128 -13.7416 -19.8806 -13.7417 -61.5221 GPRESSAVG: 220200 38.0273 31.9483 -20.0678 31.418 -2.11515 -13.5825 -19.0644 -13.6568 -61.4856 TIMING: 220200 CPU: 657.573, 0.00300021/step Wall: 657.573, 0.00300021/step, 3.98344 hours remaining, 206.113281 MB of memory in use. ENERGY: 220200 762.6717 2081.5048 1929.6598 111.4550 -206353.3852 18087.4060 0.0000 0.0000 34460.3495 -148920.3385 300.9508 -183380.6880 -148815.9869 299.9157 176.1238 205.6476 556917.1395 -8.7354 -8.5245 LDB: ============= START OF LOAD BALANCING ============== 661.122 LDB: ============== END OF LOAD BALANCING =============== 661.122 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 661.124 LDB: ============= START OF LOAD BALANCING ============== 661.422 LDB: Largest compute 4773 load 0.027912 is 23.7% of average load 0.118006 LDB: Average compute 0.001731 is 1.5% of average load 0.118006 LDB: TIME 661.424 LOAD: AVG 0.118006 MAX 0.206709 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.234 MB LDB: TIME 661.424 LOAD: AVG 0.118006 MAX 0.206709 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.234 MB LDB: TIME 661.424 LOAD: AVG 0.118006 MAX 0.206709 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.234 MB LDB: ============== END OF LOAD BALANCING =============== 661.426 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 661.43 PRESSURE: 220400 -23.0911 -71.3715 -197.642 -71.3695 24.3017 -15.7151 -197.642 -15.7151 236.522 GPRESSURE: 220400 -9.86363 -74.1099 -206.719 -37.4591 54.7263 57.4738 -139.559 -12.8072 297.398 PRESSAVG: 220400 -56.6632 17.8033 -3.08828 17.8033 53.4722 -44.4798 -3.08826 -44.4798 46.4576 GPRESSAVG: 220400 -56.9803 16.9097 -1.1347 16.9651 53.4286 -44.8302 -4.22761 -45.5447 46.816 TIMING: 220400 CPU: 658.18, 0.00303598/step Wall: 658.18, 0.00303598/step, 4.03077 hours remaining, 205.886719 MB of memory in use. ENERGY: 220400 773.0710 2055.8146 1935.2852 120.2241 -206054.3271 17763.3061 0.0000 0.0000 34221.7985 -149184.8276 298.8675 -183406.6261 -149096.0560 299.9989 79.2442 114.0871 557429.1162 14.4222 14.4215 PRESSURE: 220600 -174.678 -12.9361 -54.1847 -12.9361 -254.356 -5.9688 -54.1849 -5.97083 -134.211 GPRESSURE: 220600 -186.765 10.0513 -119.493 86.0775 -217.749 -24.8494 -10.6201 14.8588 -41.8843 PRESSAVG: 220600 49.3378 -10.1885 38.0593 -10.1885 21.5451 -13.0781 38.0594 -13.078 -71.7713 GPRESSAVG: 220600 48.269 -8.83159 36.8318 -9.94549 22.9436 -12.3964 38.9912 -12.9308 -71.9328 TIMING: 220600 CPU: 658.779, 0.00299063/step Wall: 658.779, 0.00299063/step, 3.97039 hours remaining, 205.886719 MB of memory in use. ENERGY: 220600 773.1783 2134.2284 1934.0332 109.7493 -205750.0072 17530.8496 0.0000 0.0000 34181.1742 -149086.7942 298.5127 -183267.9684 -148991.3198 299.2293 -187.7483 -148.7992 557817.3539 -0.2961 -0.2401 PRESSURE: 220800 86.8469 88.3459 -0.564565 88.3455 -48.6679 -107.02 -0.564884 -107.02 276.775 GPRESSURE: 220800 159.213 79.9742 -49.9536 3.55449 -29.8416 -153.972 32.5416 -79.1272 288.618 PRESSAVG: 220800 -58.4933 -25.3828 14.4478 -25.3828 16.2203 -33.2277 14.4478 -33.2278 69.49 GPRESSAVG: 220800 -58.0801 -26.3593 15.0908 -24.0063 15.9483 -33.6075 14.4964 -33.2978 69.2437 TIMING: 220800 CPU: 659.373, 0.00297074/step Wall: 659.373, 0.00297074/step, 3.94382 hours remaining, 205.886719 MB of memory in use. ENERGY: 220800 764.1333 2062.0568 1960.6553 122.0679 -206295.3769 17831.6444 0.0000 0.0000 34460.9274 -149093.8918 300.9558 -183554.8192 -149000.3712 298.9609 104.9845 139.3298 555509.0183 9.0724 9.0373 PRESSURE: 221000 -6.9383 158.541 -34.18 158.54 93.9398 -137.506 -34.1814 -137.507 238.618 GPRESSURE: 221000 6.17189 173.365 -37.1465 155.447 147.649 -40.6577 -56.7198 -152.346 261.341 PRESSAVG: 221000 7.15033 43.8345 -7.22874 43.8346 14.4775 -43.0966 -7.22879 -43.0966 -13.8616 GPRESSAVG: 221000 7.61564 43.9513 -7.70181 41.5745 13.3984 -43.003 -7.48782 -41.7928 -13.539 TIMING: 221000 CPU: 659.965, 0.00296018/step Wall: 659.965, 0.00296018/step, 3.92964 hours remaining, 205.886719 MB of memory in use. ENERGY: 221000 744.9083 2049.6781 1946.5893 101.5186 -206090.3387 17939.0578 0.0000 0.0000 34366.0999 -148942.4868 300.1277 -183308.5867 -148850.9065 299.5826 108.5398 138.3873 556850.1361 2.5887 2.4917 PRESSURE: 221200 43.6656 -80.0405 -139.369 -80.0397 145.2 74.0722 -139.37 74.071 151.697 GPRESSURE: 221200 172.356 -58.0415 -109.101 -82.9607 72.371 101.122 -217.141 11.6048 189.573 PRESSAVG: 221200 -61.2259 10.4033 -33.9395 10.4033 33.165 35.2891 -33.9396 35.2892 42.7148 GPRESSAVG: 221200 -60.9943 9.74422 -35.4368 10.5821 33.6722 35.7565 -32.7475 33.0761 42.3695 TIMING: 221200 CPU: 660.555, 0.00295193/step Wall: 660.555, 0.00295193/step, 3.91852 hours remaining, 205.886719 MB of memory in use. ENERGY: 221200 712.1891 2058.1872 1934.3655 123.5706 -205999.8344 17948.5975 0.0000 0.0000 34366.2717 -148856.6527 300.1292 -183222.9244 -148757.7521 300.0768 113.5211 144.7669 556554.0218 4.8846 5.0158 PRESSURE: 221400 -73.284 54.3903 -63.6367 54.3905 -73.4272 -31.4369 -63.6365 -31.4351 15.9966 GPRESSURE: 221400 -7.12577 48.2145 -58.9024 -11.2231 -61.7949 -64.2575 -114.004 6.42862 35.4017 PRESSAVG: 221400 19.7156 -22.4873 -11.4497 -22.4872 -2.33353 41.478 -11.4498 41.478 -1.95663 GPRESSAVG: 221400 19.241 -21.1043 -11.073 -22.7885 -2.18975 38.3326 -12.6763 42.9815 -1.18646 TIMING: 221400 CPU: 661.147, 0.00296143/step Wall: 661.147, 0.00296143/step, 3.93097 hours remaining, 205.886719 MB of memory in use. ENERGY: 221400 763.5034 2040.9325 1960.0788 113.1835 -205804.2969 17626.9857 0.0000 0.0000 34366.0703 -148933.5427 300.1274 -183299.6130 -148837.5047 299.9549 -43.5715 -11.1730 557617.1259 5.1418 5.2883 PRESSURE: 221600 -212.339 21.7754 -12.2358 21.7751 -172.259 44.6509 -12.2346 44.653 -151.56 GPRESSURE: 221600 -167.571 90.9947 -67.6508 25.403 -170.982 -19.3802 66.0164 23.186 -99.6278 PRESSAVG: 221600 -9.64022 -25.9959 -25.9768 -25.996 20.3865 -47.1669 -25.9767 -47.1668 -0.917204 GPRESSAVG: 221600 -8.74822 -26.986 -26.3836 -25.5309 19.4818 -44.073 -24.1724 -47.5332 -1.1584 TIMING: 221600 CPU: 661.734, 0.00293313/step Wall: 661.734, 0.00293313/step, 3.89325 hours remaining, 205.886719 MB of memory in use. ENERGY: 221600 750.7504 2101.8689 1937.3008 111.9411 -205856.5782 17611.1635 0.0000 0.0000 34227.4451 -149116.1083 298.9168 -183343.5534 -149019.7649 300.4103 -178.7195 -146.0606 558467.9563 3.2764 3.1917 PRESSURE: 221800 -328.04 -116.343 198.509 -116.342 -63.7923 16.1806 198.509 16.182 -45.9902 GPRESSURE: 221800 -282.833 -176.317 178.427 -23.8652 31.3912 108.856 152.606 35.863 -96.1865 PRESSAVG: 221800 -26.7632 -44.8177 -2.99681 -44.8178 -62.4244 -11.2861 -2.99687 -11.2861 41.5613 GPRESSAVG: 221800 -29.2855 -43.6759 -2.01482 -44.6779 -59.948 -10.9711 -4.21321 -11.0908 41.055 TIMING: 221800 CPU: 662.322, 0.0029402/step Wall: 662.322, 0.0029402/step, 3.90246 hours remaining, 205.886719 MB of memory in use. ENERGY: 221800 751.0387 2134.2100 1930.5688 121.8906 -205939.4886 17658.3995 0.0000 0.0000 34136.4552 -149206.9259 298.1222 -183343.3811 -149106.7262 299.1628 -145.9407 -115.8759 557368.7594 -15.8754 -16.0595 PRESSURE: 222000 -215.958 -104.563 -23.2634 -104.562 7.69075 160.466 -23.2643 160.467 -232.222 GPRESSURE: 222000 -233.657 -98.4603 -18.0628 -100.494 64.8313 263.897 -75.8071 124.411 -176.249 PRESSAVG: 222000 19.0306 -46.061 29.6294 -46.061 41.2918 23.0168 29.6293 23.0168 -43.0924 GPRESSAVG: 222000 19.904 -46.149 29.1903 -45.1562 40.5913 20.6503 32.347 24.7562 -43.0785 TIMING: 222000 CPU: 662.913, 0.00295507/step Wall: 662.913, 0.00295507/step, 3.92204 hours remaining, 205.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 222000 720.9166 2112.4799 1932.0089 103.6155 -205754.2727 17505.7320 0.0000 0.0000 34458.0527 -148921.4672 300.9307 -183379.5199 -148828.7829 299.1860 -146.8297 -115.0249 559273.8744 5.7433 5.8056 PRESSURE: 222200 -183.527 -54.0976 61.3709 -54.0972 182.672 34.0991 61.3688 34.0993 268.518 GPRESSURE: 222200 -159.239 -117.49 59.7975 15.5756 205.046 -20.8366 31.1724 30.3636 303.728 PRESSAVG: 222200 -20.2793 -23.877 18.64 -23.877 42.6375 4.24862 18.6399 4.24857 -29.8301 GPRESSAVG: 222200 -19.5786 -23.9187 18.4781 -24.3391 42.1716 6.72478 17.698 1.82623 -30.6848 TIMING: 222200 CPU: 663.509, 0.00297829/step Wall: 663.509, 0.00297829/step, 3.95268 hours remaining, 205.886719 MB of memory in use. ENERGY: 222200 729.7052 2117.7907 1963.0791 108.8422 -206010.9829 17886.1871 0.0000 0.0000 34266.8940 -148938.4846 299.2613 -183205.3786 -148842.9116 300.1509 89.2210 116.5118 557467.9681 -2.4906 -2.6973 PRESSURE: 222400 -64.5601 -59.7326 -158.925 -59.7334 -62.6402 -18.2681 -158.924 -18.2677 -216.131 GPRESSURE: 222400 -29.9634 -2.25134 -193.667 -74.0128 -85.3968 15.3228 -93.2026 -41.3927 -140.244 PRESSAVG: 222400 59.6594 4.12601 28.9585 4.12609 1.89663 -48.5125 28.9585 -48.5124 -36.2056 GPRESSAVG: 222400 59.1726 2.96618 30.119 4.23788 2.10955 -49.9395 27.199 -45.6261 -35.6479 TIMING: 222400 CPU: 664.107, 0.00298909/step Wall: 664.107, 0.00298909/step, 3.96685 hours remaining, 205.886719 MB of memory in use. ENERGY: 222400 801.2616 2061.6667 1957.2235 114.5083 -206210.5272 17842.2034 0.0000 0.0000 34544.4663 -148889.1973 301.6854 -183433.6637 -148787.7162 300.3435 -114.4437 -85.2015 558127.6711 8.4502 8.5447 PRESSURE: 222600 -464.466 -56.1193 -49.7466 -56.1194 -243.014 11.2913 -49.7458 11.2904 -221.606 GPRESSURE: 222600 -361.218 -38.6225 -91.6308 -48.6527 -233.673 20.8485 14.7136 -23.2819 -239.522 PRESSAVG: 222600 23.1553 -28.8589 -21.4046 -28.8589 -5.18075 -67.7013 -21.4046 -67.7013 -78.3619 GPRESSAVG: 222600 24.085 -28.3987 -22.1307 -29.8835 -5.46925 -68.2152 -19.7991 -67.6735 -79.0588 TIMING: 222600 CPU: 664.704, 0.0029892/step Wall: 664.704, 0.0029892/step, 3.96683 hours remaining, 205.886719 MB of memory in use. ENERGY: 222600 729.2820 2121.7339 1954.0010 115.5278 -205552.1948 17339.7979 0.0000 0.0000 34247.7219 -149044.1304 299.0939 -183291.8523 -148953.3364 300.3799 -309.6952 -278.1377 558554.6023 -20.1291 -20.1477 PRESSURE: 222800 87.385 75.2397 -2.90485 75.24 -8.20839 121.06 -2.9055 121.058 85.1343 GPRESSURE: 222800 131.107 30.1637 0.66369 140.105 33.1361 35.6641 -5.88647 187.407 99.9421 PRESSAVG: 222800 40.254 31.573 12.3218 31.5731 -57.5148 9.01385 12.3218 9.01394 -0.346352 GPRESSAVG: 222800 39.358 32.2873 11.9043 34.4337 -57.2191 9.39233 13.4893 8.26071 0.00456711 TIMING: 222800 CPU: 665.309, 0.00302198/step Wall: 665.309, 0.00302198/step, 4.01016 hours remaining, 205.886719 MB of memory in use. ENERGY: 222800 696.7871 2062.3249 1979.8242 121.6396 -206383.8086 18014.2722 0.0000 0.0000 34378.8397 -149130.1209 300.2390 -183508.9607 -149037.2642 300.2829 54.7703 88.0616 558011.3501 -5.8690 -5.9522 PRESSURE: 223000 140.304 -152.35 7.37932 -152.349 -175.398 -83.1166 7.37962 -83.117 76.7946 GPRESSURE: 223000 200.775 -110.368 122.105 -147.827 -180.258 -152.069 -91.9878 16.9326 112.414 PRESSAVG: 223000 3.52909 21.5595 79.6596 21.5596 -42.5207 -38.7361 79.6595 -38.7361 38.5336 GPRESSAVG: 223000 4.18685 21.5144 79.8483 17.3541 -42.7198 -39.2883 78.973 -39.0707 38.3717 TIMING: 223000 CPU: 665.909, 0.00300146/step Wall: 665.909, 0.00300146/step, 3.98277 hours remaining, 205.886719 MB of memory in use. ENERGY: 223000 725.4272 2128.5097 1946.7806 108.3983 -206224.6165 17778.1077 0.0000 0.0000 34236.0434 -149301.3495 298.9919 -183537.3929 -149202.0669 299.9634 13.9002 44.3104 557832.5495 -0.1527 -0.0537 PRESSURE: 223200 9.75889 18.0436 86.5815 18.043 9.37971 -6.45612 86.5824 -6.45558 -13.107 GPRESSURE: 223200 54.4954 -9.83134 71.9997 -10.2292 74.7017 -9.17257 186.358 -75.8401 -18.0834 PRESSAVG: 223200 14.1542 -13.6444 19.5909 -13.6443 -57.5381 -25.9554 19.5909 -25.9554 16.0334 GPRESSAVG: 223200 13.8604 -15.6188 21.7683 -11.4418 -57.7976 -26.486 19.4978 -26.8936 16.7749 TIMING: 223200 CPU: 666.509, 0.00299798/step Wall: 666.509, 0.00299798/step, 3.97799 hours remaining, 205.886719 MB of memory in use. ENERGY: 223200 712.8776 2050.9956 1969.8228 106.2665 -206073.7693 17721.5261 0.0000 0.0000 34329.8457 -149182.4350 299.8111 -183512.2807 -149092.7340 300.0595 2.0105 37.0379 557937.0949 -9.1169 -9.0541 PRESSURE: 223400 -357.597 111.901 2.02147 111.903 -295.697 -139.865 2.02159 -139.867 -185.697 GPRESSURE: 223400 -294.01 91.3626 -26.1761 101.336 -276.117 -130.317 66.0965 -176.909 -182.201 PRESSAVG: 223400 27.4226 5.13438 43.0605 5.13442 -49.7884 -35.3128 43.0605 -35.3127 9.76259 GPRESSAVG: 223400 27.245 6.82228 41.566 5.78182 -48.7028 -35.1945 43.1204 -34.6718 8.70246 TIMING: 223400 CPU: 667.11, 0.0030086/step Wall: 667.11, 0.0030086/step, 3.99191 hours remaining, 205.886719 MB of memory in use. ENERGY: 223400 770.6899 2038.9594 1966.4009 111.1114 -205634.2394 17290.9344 0.0000 0.0000 34152.6805 -149303.4629 298.2639 -183456.1434 -149209.6510 299.0152 -279.6634 -250.7757 559656.1520 -4.2011 -4.2518 PRESSURE: 223600 133.17 -42.1047 122.216 -42.1047 62.237 90.7552 122.216 90.7558 254.253 GPRESSURE: 223600 104.326 10.1842 96.0262 -84.3285 69.5036 67.7462 185.414 194.784 368.548 PRESSAVG: 223600 -21.2884 -27.2684 11.9683 -27.2684 -61.3791 -6.54088 11.9682 -6.5409 75.1633 GPRESSAVG: 223600 -20.7956 -28.062 11.5114 -28.9382 -61.6005 -5.14393 11.6012 -5.00403 75.0085 TIMING: 223600 CPU: 667.719, 0.00304299/step Wall: 667.719, 0.00304299/step, 4.03737 hours remaining, 205.886719 MB of memory in use. ENERGY: 223600 742.5761 2099.2417 1952.4465 105.5590 -206575.9418 18095.1082 0.0000 0.0000 34184.5477 -149396.4625 298.5422 -183581.0102 -149300.7030 298.9266 149.8867 180.7924 556960.8044 -2.5014 -2.4625 PRESSURE: 223800 -73.7099 -72.5335 -51.7295 -72.5335 80.6797 -58.6795 -51.7302 -58.6799 223.539 GPRESSURE: 223800 -52.3122 25.9689 -50.9764 27.1752 119.6 -6.51434 -28.714 -117.094 263.195 PRESSAVG: 223800 -31.6268 24.9162 -41.2568 24.9161 22.6939 -28.8194 -41.2568 -28.8194 7.20153 GPRESSAVG: 223800 -30.7778 26.27 -41.6748 25.2339 22.4218 -30.4796 -41.468 -29.5398 7.04956 TIMING: 223800 CPU: 668.318, 0.00299628/step Wall: 668.318, 0.00299628/step, 3.97523 hours remaining, 205.886719 MB of memory in use. ENERGY: 223800 730.5082 2055.0831 1942.9106 94.6218 -206596.3606 17983.2392 0.0000 0.0000 34326.6233 -149463.3743 299.7829 -183789.9976 -149365.1002 298.6167 76.8363 110.1609 555731.1926 -0.5771 -0.4355 PRESSURE: 224000 3.68233 1.18678 95.7313 1.18731 -5.69479 -106.76 95.7322 -106.761 24.4884 GPRESSURE: 224000 12.3194 -109.657 60.4134 24.1919 23.9295 -141.818 39.148 -56.1538 69.9974 PRESSAVG: 224000 -11.3636 -35.2873 -23.1601 -35.2872 15.2833 2.00456 -23.1601 2.00449 -5.92055 GPRESSAVG: 224000 -11.2533 -36.4101 -21.9734 -35.0918 15.0282 3.68431 -24.8873 1.30372 -6.11583 TIMING: 224000 CPU: 668.917, 0.00299369/step Wall: 668.917, 0.00299369/step, 3.97163 hours remaining, 205.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 224000 770.3249 2048.1145 1951.7380 106.8505 -205978.3429 17730.9519 0.0000 0.0000 34245.9586 -149124.4046 299.0785 -183370.3632 -149031.2222 298.8052 7.4920 35.4154 557042.8625 -0.6669 -0.7803 PRESSURE: 224200 230.177 72.1709 120.888 72.1725 -137.682 42.1471 120.887 42.148 -62.5579 GPRESSURE: 224200 273.501 91.8906 139.068 49.0007 -159.843 96.6822 84.2811 -39.154 8.05662 PRESSAVG: 224200 23.3647 20.4523 55.3867 20.4524 -38.8155 24.683 55.3868 24.683 -9.04618 GPRESSAVG: 224200 22.7246 19.3969 55.6788 22.1375 -38.0239 24.7326 57.4773 24.6452 -9.58991 TIMING: 224200 CPU: 669.514, 0.0029871/step Wall: 669.514, 0.0029871/step, 3.96272 hours remaining, 205.886719 MB of memory in use. ENERGY: 224200 732.8319 2057.7382 1964.0072 119.5140 -205793.3855 17673.6885 0.0000 0.0000 34207.3029 -149038.3028 298.7409 -183245.6057 -148942.9365 299.4326 9.9789 40.5715 558142.3373 -8.1657 -8.2964 LDB: ============= START OF LOAD BALANCING ============== 673.061 LDB: ============== END OF LOAD BALANCING =============== 673.061 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 673.063 LDB: ============= START OF LOAD BALANCING ============== 673.361 LDB: Largest compute 4773 load 0.028617 is 24.3% of average load 0.117956 LDB: Average compute 0.001732 is 1.5% of average load 0.117956 LDB: TIME 673.363 LOAD: AVG 0.117956 MAX 0.206462 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.656 MB LDB: TIME 673.364 LOAD: AVG 0.117956 MAX 0.206462 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.73 MB LDB: TIME 673.364 LOAD: AVG 0.117956 MAX 0.206462 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.73 MB LDB: ============== END OF LOAD BALANCING =============== 673.366 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 673.37 PRESSURE: 224400 -171.03 -140.409 -106.832 -140.408 -226.989 143.557 -106.832 143.558 -98.8438 GPRESSURE: 224400 -160.343 -124.398 -171.188 -188.272 -221.155 92.4804 -37.0341 183.726 -21.7762 PRESSAVG: 224400 17.9544 30.6967 59.8034 30.6969 1.10118 -16.0943 59.8034 -16.0944 28.7538 GPRESSAVG: 224400 18.0663 33.5208 58.3348 27.9793 0.371876 -16.3032 60.0709 -16.3323 28.9716 TIMING: 224400 CPU: 670.12, 0.00302749/step Wall: 670.12, 0.00302749/step, 4.01613 hours remaining, 207.234375 MB of memory in use. ENERGY: 224400 760.5646 2077.5863 1957.5449 115.9436 -205949.1302 17511.7752 0.0000 0.0000 34343.0144 -149182.7012 299.9261 -183525.7156 -149090.5881 299.3748 -165.6208 -134.4245 556747.8634 15.9365 15.8033 PRESSURE: 224600 -191.284 31.5831 20.6094 31.5836 -87.2738 30.1084 20.6086 30.1069 1.15307 GPRESSURE: 224600 -123.791 -53.5009 122.151 73.0353 -65.9225 -32.1476 15.9517 3.9144 20.7397 PRESSAVG: 224600 14.0721 -27.3029 6.80937 -27.3028 -92.4756 36.048 6.80931 36.0479 98.8957 GPRESSAVG: 224600 14.6651 -28.3903 9.66085 -27.6911 -93.1908 35.5554 4.39194 35.6513 98.896 TIMING: 224600 CPU: 670.711, 0.00295792/step Wall: 670.711, 0.00295792/step, 3.92368 hours remaining, 207.234375 MB of memory in use. ENERGY: 224600 751.0015 2055.9432 1944.9693 113.6314 -206152.1014 17787.7705 0.0000 0.0000 34187.5379 -149311.2476 298.5683 -183498.7856 -149219.6289 298.8201 -92.4683 -56.3244 557638.8045 6.8307 6.7901 PRESSURE: 224800 73.7075 -76.4387 84.5711 -76.4393 103.606 167.317 84.5701 167.317 -246.214 GPRESSURE: 224800 55.5317 -17.0099 11.7899 -132.846 146.498 141.321 114.666 134.858 -169.464 PRESSAVG: 224800 -37.4492 65.0108 63.0528 65.0108 -71.9156 -32.633 63.0529 -32.633 56.6508 GPRESSAVG: 224800 -37.8944 64.9619 61.1449 63.856 -70.5861 -32.3729 62.7826 -32.6758 55.7802 TIMING: 224800 CPU: 671.308, 0.0029808/step Wall: 671.308, 0.0029808/step, 3.95387 hours remaining, 207.234375 MB of memory in use. ENERGY: 224800 695.7713 2084.3920 1961.7839 108.3052 -206080.6606 17672.5014 0.0000 0.0000 34344.4203 -149213.4864 299.9384 -183557.9067 -149119.0418 299.1770 -22.9667 10.8555 557890.6465 -17.5713 -17.5668 PRESSURE: 225000 -97.6486 71.6656 -68.6368 71.6655 156.132 -195.366 -68.6363 -195.364 94.104 GPRESSURE: 225000 -29.5218 40.1382 -86.5728 109.73 146.034 -132.638 -85.4743 -172.902 134.906 PRESSAVG: 225000 -1.98212 11.4854 -16.3836 11.4854 48.7434 -76.7021 -16.3836 -76.702 -23.3784 GPRESSAVG: 225000 -3.1055 12.7571 -16.3373 13.6621 48.6378 -78.122 -14.9349 -75.6175 -22.3437 TIMING: 225000 CPU: 671.906, 0.00298995/step Wall: 671.906, 0.00298995/step, 3.96583 hours remaining, 207.234375 MB of memory in use. ENERGY: 225000 730.2712 2072.3493 1943.7420 100.3166 -206335.7996 17878.2737 0.0000 0.0000 34353.9683 -149256.8786 300.0217 -183610.8468 -149155.5720 299.3036 50.8625 83.8059 556756.1300 7.7943 7.7295 PRESSURE: 225200 264.623 -128.855 -14.1781 -128.855 -298.205 -199.263 -14.1775 -199.263 -139.997 GPRESSURE: 225200 261.723 -70.3016 -36.8255 -164.494 -261.708 -150.982 5.82619 -196.554 -80.3875 PRESSAVG: 225200 59.2899 -25.0281 -65.6557 -25.0282 -41.3365 -27.2712 -65.6558 -27.2712 -10.5584 GPRESSAVG: 225200 58.9741 -25.8104 -64.5232 -25.6745 -41.3399 -25.2445 -65.8858 -28.5279 -10.0281 TIMING: 225200 CPU: 672.507, 0.00300774/step Wall: 672.507, 0.00300774/step, 3.98927 hours remaining, 207.234375 MB of memory in use. ENERGY: 225200 745.7394 2065.8895 1932.4820 105.1329 -206292.4417 17662.5460 0.0000 0.0000 34498.9622 -149281.6896 301.2880 -183780.6518 -149189.2834 299.1920 -57.8596 -26.7907 556560.1377 2.4650 2.5354 PRESSURE: 225400 -3.91533 -104.035 54.6093 -104.035 125.892 -32.5343 54.6088 -32.5344 -47.0349 GPRESSURE: 225400 -16.521 -60.0267 92.3893 -109.836 152.918 -43.4654 120.115 -34.1518 31.2399 PRESSAVG: 225400 56.8105 -45.2728 6.54881 -45.2727 -32.8263 14.4229 6.5487 14.4229 -5.55847 GPRESSAVG: 225400 58.3948 -45.746 6.11437 -44.3916 -33.7233 13.4723 6.21954 13.3054 -5.82761 TIMING: 225400 CPU: 673.108, 0.00300371/step Wall: 673.108, 0.00300371/step, 3.98375 hours remaining, 207.234375 MB of memory in use. ENERGY: 225400 770.6884 2053.1649 1954.5271 104.5247 -206403.8383 17899.5916 0.0000 0.0000 34234.8721 -149386.4696 298.9817 -183621.3416 -149290.6835 298.9723 24.9805 55.8790 557803.2086 6.1419 6.2813 PRESSURE: 225600 -196.588 -5.34981 -91.7782 -5.34896 -33.8012 -22.8833 -91.7776 -22.8824 -66.0481 GPRESSURE: 225600 -152.479 -54.8833 -68.5913 -3.64947 -33.7003 -25.5695 -87.5819 16.5068 -17.0003 PRESSAVG: 225600 2.862 -55.097 -41.9227 -55.097 60.1378 -48.5848 -41.9228 -48.5848 -46.0188 GPRESSAVG: 225600 2.12028 -52.577 -41.6158 -56.4165 61.1845 -49.2192 -43.2962 -45.7225 -46.505 TIMING: 225600 CPU: 673.704, 0.0029806/step Wall: 673.704, 0.0029806/step, 3.95294 hours remaining, 207.234375 MB of memory in use. ENERGY: 225600 737.7082 2029.6146 1927.8149 123.6463 -206065.5387 17615.4159 0.0000 0.0000 34309.1155 -149322.2233 299.6300 -183631.3388 -149231.5631 298.6322 -98.8124 -67.7264 556730.6551 5.6603 5.5999 PRESSURE: 225800 346.629 42.6924 43.1134 42.6946 154.292 -124.556 43.1128 -124.556 195.257 GPRESSURE: 225800 369.697 0.295148 88.8639 72.9217 277.588 -57.9617 -89.0022 -130.971 142.009 PRESSAVG: 225800 -15.0498 23.9837 -27.7444 23.9837 59.5641 -27.6596 -27.7445 -27.6597 -55.4543 GPRESSAVG: 225800 -13.4982 20.7669 -28.2188 22.7901 59.1245 -27.4187 -26.0426 -28.825 -56.7978 TIMING: 225800 CPU: 674.302, 0.00298964/step Wall: 674.302, 0.00298964/step, 3.96477 hours remaining, 207.234375 MB of memory in use. ENERGY: 225800 763.5040 2091.4957 1943.8733 115.8675 -206764.3811 18372.4672 0.0000 0.0000 34290.6994 -149186.4740 299.4692 -183477.1734 -149096.3015 299.1467 232.0594 263.0981 556748.7998 -3.6467 -3.7238 PRESSURE: 226000 -125.761 -68.353 -55.2352 -68.3531 -126.495 23.9025 -55.2335 23.9017 -334.269 GPRESSURE: 226000 -175.672 -88.4551 -47.14 -45.7108 -86.8601 35.6868 16.3908 23.3976 -226.768 PRESSAVG: 226000 16.0225 14.5386 -19.8416 14.5387 18.9245 -21.7479 -19.8417 -21.7478 -30.9521 GPRESSAVG: 226000 14.8715 16.1334 -20.8899 15.42 18.1281 -21.7143 -19.7855 -21.226 -29.4079 TIMING: 226000 CPU: 674.9, 0.0029883/step Wall: 674.9, 0.0029883/step, 3.96282 hours remaining, 207.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 226000 753.4433 2052.8733 1946.8612 113.8620 -206133.6820 17733.2139 0.0000 0.0000 34381.4043 -149152.0240 300.2614 -183533.4283 -149059.4451 299.6747 -195.5083 -163.1000 559396.3260 1.3316 1.1972 PRESSURE: 226200 105.463 -124.602 -49.8966 -124.602 228.001 -64.9953 -49.8968 -64.9929 108.594 GPRESSURE: 226200 111.705 -110.506 -28.5907 -143.116 233.932 -79.4268 -89.0675 -33.0223 196.08 PRESSAVG: 226200 26.8522 -13.8361 -20.5355 -13.8362 11.5979 -1.3593 -20.5354 -1.35919 0.172965 GPRESSAVG: 226200 26.79 -13.3694 -21.7724 -12.7277 12.4 -0.18745 -18.628 -4.69366 -1.07172 TIMING: 226200 CPU: 675.491, 0.00295697/step Wall: 675.491, 0.00295697/step, 3.92111 hours remaining, 207.234375 MB of memory in use. ENERGY: 226200 754.2651 2093.4403 1962.1562 121.7412 -206428.0993 18080.3912 0.0000 0.0000 34227.4458 -149188.6595 298.9168 -183416.1052 -149090.4934 299.4988 147.3527 180.5724 557300.2377 12.8743 12.7061 PRESSURE: 226400 21.2686 -57.3236 45.9569 -57.3237 -34.3189 109.947 45.9566 109.946 159.245 GPRESSURE: 226400 73.2413 8.00499 51.0208 -106.29 -19.6004 88.0738 65.1894 141.222 189.668 PRESSAVG: 226400 44.8406 -29.5856 -7.53435 -29.5856 20.7661 49.8912 -7.53438 49.8913 -20.0554 GPRESSAVG: 226400 45.783 -30.6979 -6.36678 -29.7441 19.56 48.2788 -10.4445 52.6935 -19.8806 TIMING: 226400 CPU: 676.084, 0.00296357/step Wall: 676.084, 0.00296357/step, 3.9297 hours remaining, 207.234375 MB of memory in use. ENERGY: 226400 757.1687 2101.6650 1940.3524 119.5643 -206609.6520 17971.2065 0.0000 0.0000 34498.0909 -149221.6041 301.2804 -183719.6950 -149125.8353 299.3965 48.7316 81.1030 558161.5717 15.1838 15.1541 PRESSURE: 226600 2.79617 -122.278 65.4858 -122.278 241.659 62.6247 65.4866 62.6242 231.079 GPRESSURE: 226600 49.3156 -21.1677 110.559 -217.766 275.703 32.2949 23.5311 112.286 244.412 PRESSAVG: 226600 -16.9796 -16.9447 -0.171346 -16.9447 -0.2449 40.7589 -0.171401 40.7589 15.0822 GPRESSAVG: 226600 -18.1155 -19.0344 1.29155 -14.9575 1.0974 41.3509 1.05098 41.3093 15.0471 TIMING: 226600 CPU: 676.679, 0.00297544/step Wall: 676.679, 0.00297544/step, 3.94527 hours remaining, 207.234375 MB of memory in use. ENERGY: 226600 745.2088 2126.2829 1959.8814 122.0402 -206334.3411 18076.4382 0.0000 0.0000 34233.2172 -149071.2723 298.9672 -183304.4895 -148977.7922 300.0991 158.5115 189.8102 556730.2142 -0.7141 -0.6570 PRESSURE: 226800 294.576 -34.7366 -141.377 -34.7378 118.955 -68.0358 -141.376 -68.0352 292.195 GPRESSURE: 226800 335.096 14.4477 -37.7397 -74.9552 135.928 -47.6346 -145.745 -38.6445 320.061 PRESSAVG: 226800 -53.9324 -42.7518 -46.0476 -42.7518 33.6415 -9.83229 -46.0476 -9.83229 -11.1486 GPRESSAVG: 226800 -52.4675 -43.7587 -47.1395 -43.1785 31.8276 -10.3866 -45.5174 -10.217 -10.1772 TIMING: 226800 CPU: 677.277, 0.00298859/step Wall: 677.277, 0.00298859/step, 3.96253 hours remaining, 207.234375 MB of memory in use. ENERGY: 226800 711.8709 2149.0864 1955.3275 117.7367 -206519.0641 18133.6570 0.0000 0.0000 34402.6705 -149048.7151 300.4471 -183451.3855 -148954.2128 300.0728 235.2421 263.6947 556608.1342 -10.4798 -10.2724 PRESSURE: 227000 20.6206 -62.4229 -253.237 -62.4227 -73.8037 84.4244 -253.237 84.4262 77.3927 GPRESSURE: 227000 51.6525 -80.8388 -133.18 3.17418 -64.5345 57.329 -335.855 147.741 145.714 PRESSAVG: 227000 49.8056 -8.84217 -46.4271 -8.84222 -31.3104 51.4378 -46.4272 51.4378 -1.39659 GPRESSAVG: 227000 48.8458 -6.54981 -44.5699 -11.74 -30.4704 52.0412 -48.636 50.6392 -1.98272 TIMING: 227000 CPU: 677.868, 0.0029582/step Wall: 677.868, 0.0029582/step, 3.92208 hours remaining, 207.234375 MB of memory in use. ENERGY: 227000 738.5088 2128.1373 1940.9575 126.6670 -206311.6917 17938.2481 0.0000 0.0000 34435.4221 -149003.7510 300.7331 -183439.1731 -148904.6698 300.3670 8.0699 44.2774 557187.3526 5.6995 5.4642 PRESSURE: 227200 -365.537 -57.1459 64.6564 -57.1465 -128.291 131.928 64.6563 131.928 -90.0083 GPRESSURE: 227200 -345.633 -52.6984 63.0826 -24.2226 -44.6806 147.879 124.368 66.739 -97.342 PRESSAVG: 227200 -1.96933 -4.67561 -118.526 -4.67563 3.31669 39.5489 -118.526 39.5489 11.5304 GPRESSAVG: 227200 -1.13879 -8.01859 -117.956 -1.56293 4.5005 38.6172 -118.673 41.1363 9.91303 TIMING: 227200 CPU: 678.458, 0.002951/step Wall: 678.458, 0.002951/step, 3.91237 hours remaining, 207.234375 MB of memory in use. ENERGY: 227200 722.8930 2053.1864 1931.3752 112.3686 -205821.7646 17351.4642 0.0000 0.0000 34467.5545 -149182.9227 301.0137 -183650.4773 -149083.4101 300.2501 -194.6122 -162.5517 558073.2794 4.2926 4.4249 PRESSURE: 227400 53.4437 39.1723 157.864 39.1728 -155.679 83.8017 157.864 83.8021 -65.819 GPRESSURE: 227400 83.8674 74.6289 106.228 -8.43435 -101.604 28.3732 159.346 153.752 -52.3931 PRESSAVG: 227400 27.8764 -35.2569 -13.415 -35.2569 -37.8234 30.8779 -13.4151 30.8778 -10.5668 GPRESSAVG: 227400 27.48 -30.5076 -16.3332 -38.1004 -38.3807 29.5817 -12.6989 32.7326 -10.4283 TIMING: 227400 CPU: 679.052, 0.00297043/step Wall: 679.052, 0.00297043/step, 3.93797 hours remaining, 207.234375 MB of memory in use. ENERGY: 227400 771.1763 2063.6059 1930.7927 106.7177 -206160.3373 17800.7433 0.0000 0.0000 34305.9062 -149181.3951 299.6020 -183487.3013 -149087.6860 299.8754 -56.0181 -23.3765 558399.6850 -6.8379 -7.1097 PRESSURE: 227600 -130.186 -21.8656 -26.5666 -21.8652 -327.91 -90.4604 -26.5672 -90.4617 -135.998 GPRESSURE: 227600 -129.729 27.0635 -29.1302 -24.5126 -287.25 -50.0306 77.3059 -125.893 -76.7396 PRESSAVG: 227600 -11.3933 -45.1594 -25.1178 -45.1594 72.1394 -36.9564 -25.1178 -36.9564 -14.9902 GPRESSAVG: 227600 -12.4885 -47.9952 -25.7323 -42.8959 72.3166 -34.6545 -23.0196 -38.9112 -14.3728 TIMING: 227600 CPU: 679.647, 0.00297203/step Wall: 679.647, 0.00297203/step, 3.93993 hours remaining, 207.234375 MB of memory in use. ENERGY: 227600 752.2746 2077.9582 1916.4745 106.3962 -205644.0315 17358.6943 0.0000 0.0000 34173.6123 -149258.6214 298.4467 -183432.2337 -149167.3044 298.9609 -198.0313 -164.5728 557366.6085 15.2520 15.1518 PRESSURE: 227800 17.5943 -184.019 -89.0188 -184.02 57.9854 -82.8994 -89.0191 -82.902 -299.042 GPRESSURE: 227800 59.2915 -119.75 -93.1611 -195.095 48.1199 -41.6936 -1.24369 -75.1391 -248.534 PRESSAVG: 227800 -35.4932 -16.6797 -60.4973 -16.6797 34.0984 0.821117 -60.4973 0.821091 3.57523 GPRESSAVG: 227800 -34.899 -16.6939 -60.1128 -16.018 33.5687 3.21834 -61.4133 -0.234757 2.97628 TIMING: 227800 CPU: 680.246, 0.00299631/step Wall: 680.246, 0.00299631/step, 3.97194 hours remaining, 207.234375 MB of memory in use. ENERGY: 227800 720.5609 2111.4883 1908.9441 102.4501 -206060.3270 17560.1725 0.0000 0.0000 34250.5601 -149406.1510 299.1187 -183656.7111 -149305.2460 299.0358 -74.4875 -47.0409 556630.4468 0.7268 0.5487 PRESSURE: 228000 150.15 182.848 -48.5996 182.848 -156.537 -39.5036 -48.5993 -39.5019 -115.321 GPRESSURE: 228000 140.901 136.517 -8.48289 146.244 -126.101 -138.033 -79.9893 8.86187 -51.6785 PRESSAVG: 228000 21.1593 -6.63915 -72.5201 -6.63906 14.1879 -16.8546 -72.5201 -16.8545 -12.652 GPRESSAVG: 228000 21.3419 -7.85327 -72.3785 -6.22948 13.674 -20.1732 -72.5626 -16.2144 -11.9124 TIMING: 228000 CPU: 680.851, 0.00302176/step Wall: 680.851, 0.00302176/step, 4.0055 hours remaining, 207.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 228000 752.2624 2127.5707 1936.1835 98.9452 -206673.1501 18001.7715 0.0000 0.0000 34127.8668 -149628.5502 298.0471 -183756.4169 -149534.7139 298.7587 -40.5691 -12.2929 556190.8013 7.5651 7.7012 PRESSURE: 228200 147.372 -84.7448 164.688 -84.7445 -64.3015 -23.1832 164.688 -23.1827 -64.9626 GPRESSURE: 228200 156.071 -118.485 186.537 -50.774 -14.4996 -54.0001 176.346 -78.1046 -31.0265 PRESSAVG: 228200 48.884 -31.9674 20.369 -31.9673 -44.8084 -27.3709 20.369 -27.3709 35.2169 GPRESSAVG: 228200 49.1362 -28.2504 21.2409 -34.2799 -44.1893 -27.4141 19.6064 -27.3965 34.7894 TIMING: 228200 CPU: 681.451, 0.00300137/step Wall: 681.451, 0.00300137/step, 3.97832 hours remaining, 207.234375 MB of memory in use. ENERGY: 228200 746.1738 2142.2173 1921.0346 107.3457 -206701.9904 18011.2499 0.0000 0.0000 34200.0530 -149573.9161 298.6776 -183773.9690 -149481.5970 298.7871 6.0360 36.8483 556016.0595 13.0975 13.2454 LDB: ============= START OF LOAD BALANCING ============== 685.003 LDB: ============== END OF LOAD BALANCING =============== 685.003 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 685.005 LDB: ============= START OF LOAD BALANCING ============== 685.307 LDB: Largest compute 4796 load 0.028229 is 23.9% of average load 0.118022 LDB: Average compute 0.001735 is 1.5% of average load 0.118022 LDB: TIME 685.31 LOAD: AVG 0.118022 MAX 0.207023 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.16 MB LDB: TIME 685.31 LOAD: AVG 0.118022 MAX 0.207023 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.223 MB LDB: TIME 685.31 LOAD: AVG 0.118022 MAX 0.207023 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.223 MB LDB: ============== END OF LOAD BALANCING =============== 685.312 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 685.316 PRESSURE: 228400 -133.326 -113.888 27.9661 -113.889 -16.3769 27.8537 27.9662 27.8528 -93.0032 GPRESSURE: 228400 -95.2279 -130.572 5.58881 -161.671 26.0458 36.0179 77.7315 -19.6455 -80.676 PRESSAVG: 228400 -8.46458 -7.67709 40.3174 -7.67715 11.9678 5.36463 40.3174 5.36465 -19.2263 GPRESSAVG: 228400 -9.00721 -7.75786 39.711 -7.78586 11.7173 6.095 41.4077 5.23708 -18.3107 TIMING: 228400 CPU: 682.066, 0.00307766/step Wall: 682.066, 0.00307766/step, 4.07927 hours remaining, 206.562500 MB of memory in use. ENERGY: 228400 769.9206 2106.9193 1935.3407 112.3711 -206472.5423 17806.1439 0.0000 0.0000 34097.2248 -149644.6219 297.7795 -183741.8467 -149548.0794 297.9838 -80.9021 -49.9527 557683.5700 -5.2410 -5.2002 PRESSURE: 228600 -98.3422 43.8512 -161.356 43.8513 22.3182 -27.8881 -161.355 -27.8887 -101.478 GPRESSURE: 228600 -8.44011 -16.8233 -76.4394 100.099 11.0671 -23.1888 -127.844 -78.5515 -81.9479 PRESSAVG: 228600 39.1703 -13.9117 -52.1536 -13.9116 33.298 -47.7061 -52.1537 -47.7062 -61.2126 GPRESSAVG: 228600 38.3663 -15.8762 -51.7464 -13.9751 32.8323 -48.2623 -53.1942 -47.8448 -59.7617 TIMING: 228600 CPU: 682.667, 0.00300451/step Wall: 682.667, 0.00300451/step, 3.98215 hours remaining, 206.765625 MB of memory in use. ENERGY: 228600 789.0864 2108.7262 1945.4551 102.2830 -206989.6357 18179.3819 0.0000 0.0000 34118.1182 -149746.5849 297.9620 -183864.7031 -149644.2673 298.0233 -59.1673 -26.4403 559263.8275 3.7519 3.8123 PRESSURE: 228800 178.113 -47.7204 173.414 -47.719 -178.315 -208.146 173.413 -208.144 203.344 GPRESSURE: 228800 249.597 -80.9502 147.206 -78.1951 -148.929 -256.276 154.582 -163.585 215.015 PRESSAVG: 228800 42.2252 -44.4979 21.4935 -44.4979 -38.2946 -14.9721 21.4935 -14.972 -25.4858 GPRESSAVG: 228800 43.3001 -45.9771 22.7691 -42.0892 -37.6729 -13.7143 20.5246 -15.2886 -27.0572 TIMING: 228800 CPU: 683.264, 0.00298479/step Wall: 683.264, 0.00298479/step, 3.95584 hours remaining, 206.765625 MB of memory in use. ENERGY: 228800 747.7670 2102.1127 1933.8927 123.5464 -206673.1592 17932.1509 0.0000 0.0000 34287.4048 -149546.2846 299.4404 -183833.6895 -149448.6388 298.0100 67.7140 105.2278 556583.0276 -7.1851 -7.1433 PRESSURE: 229000 58.948 59.9545 148.377 59.9539 -263.671 -59.1912 148.377 -59.1914 80.8815 GPRESSURE: 229000 51.4347 106.717 68.6576 32.1943 -205.382 -95.1273 287.52 -124.202 122.395 PRESSAVG: 229000 -3.2223 -35.9846 41.917 -35.9845 34.2859 -73.3694 41.9171 -73.3694 -40.8117 GPRESSAVG: 229000 -5.25033 -32.164 39.1969 -39.0031 35.6265 -72.6502 45.3856 -74.181 -40.0156 TIMING: 229000 CPU: 683.861, 0.00298606/step Wall: 683.861, 0.00298606/step, 3.95735 hours remaining, 206.765625 MB of memory in use. ENERGY: 229000 762.7864 2067.8912 1934.8323 108.2026 -206603.9932 17993.6228 0.0000 0.0000 34225.4041 -149511.2538 298.8990 -183736.6579 -149415.5421 299.3619 -41.2804 -10.5172 557984.6697 -3.2494 -3.2131 PRESSURE: 229200 -80.5856 -125.863 -186.19 -125.862 -243.761 10.8937 -186.189 10.8936 -180.505 GPRESSURE: 229200 -22.6725 -78.6614 -149.216 -50.5927 -208.897 -142.882 -121.588 82.8022 -161.649 PRESSAVG: 229200 -1.38337 -39.4522 7.42726 -39.4522 -12.3592 -71.8704 7.4273 -71.8703 35.6921 GPRESSAVG: 229200 -0.0500952 -41.0596 7.50431 -38.0354 -13.2247 -72.3367 6.40322 -71.4942 35.4629 TIMING: 229200 CPU: 684.46, 0.00299489/step Wall: 684.46, 0.00299489/step, 3.9689 hours remaining, 206.765625 MB of memory in use. ENERGY: 229200 761.9950 2074.1213 1963.1698 120.8005 -206367.0521 17883.8501 0.0000 0.0000 34069.9366 -149493.1789 297.5412 -183563.1154 -149392.9938 298.4984 -168.2839 -131.0728 558033.8988 7.3165 7.3960 PRESSURE: 229400 80.606 15.3427 -116.666 15.3414 -21.1245 5.23351 -116.666 5.23458 48.1163 GPRESSURE: 229400 86.6609 -41.89 -137.915 -86.7483 -3.28311 15.8243 -141.201 0.150086 123.139 PRESSAVG: 229400 -10.8528 -75.3739 15.8111 -75.3739 5.13263 4.64178 15.8111 4.6417 -28.8498 GPRESSAVG: 229400 -10.7144 -75.7941 16.8114 -76.4135 6.34956 2.88749 16.2362 6.29013 -30.2124 TIMING: 229400 CPU: 685.053, 0.00296129/step Wall: 685.053, 0.00296129/step, 3.9242 hours remaining, 206.765625 MB of memory in use. ENERGY: 229400 751.0347 2124.7762 1932.5442 97.2763 -206609.5552 17914.5328 0.0000 0.0000 34158.4959 -149630.8950 298.3146 -183789.3909 -149542.6926 298.1309 35.8659 68.8389 556450.1831 -11.5233 -11.5258 PRESSURE: 229600 98.8196 56.872 -119.125 56.8719 -296.579 -98.2003 -119.125 -98.2014 -138.851 GPRESSURE: 229600 125.256 49.5436 -130.442 27.5711 -239.233 -146.067 -69.1081 -49.9364 -119.24 PRESSAVG: 229600 -33.6497 -33.0819 33.7584 -33.082 -52.7087 -20.9714 33.7584 -20.9713 44.0033 GPRESSAVG: 229600 -34.559 -33.623 35.3043 -32.3358 -52.3507 -23.7818 32.0544 -19.5226 44.7324 TIMING: 229600 CPU: 685.646, 0.00296577/step Wall: 685.646, 0.00296577/step, 3.92997 hours remaining, 206.765625 MB of memory in use. ENERGY: 229600 724.6729 2039.9147 1953.9395 120.7285 -206506.7584 17796.0635 0.0000 0.0000 34163.2397 -149708.1996 298.3561 -183871.4392 -149606.3230 297.0625 -112.2035 -77.7389 556757.1226 -14.1184 -14.0591 PRESSURE: 229800 -213.453 -164.969 -147.741 -164.967 -174.772 29.7661 -147.739 29.7655 -28.7452 GPRESSURE: 229800 -162.863 -102.651 -228.089 -152.091 -146.67 38.0342 -130.999 35.3181 -7.20098 PRESSAVG: 229800 16.113 -53.3728 0.580515 -53.3729 -30.9238 -11.812 0.580497 -11.8119 53.713 GPRESSAVG: 229800 17.0197 -55.5094 -0.182834 -52.2918 -32.8518 -9.64573 0.566589 -13.1849 54.5831 TIMING: 229800 CPU: 686.241, 0.00297432/step Wall: 686.241, 0.00297432/step, 3.94114 hours remaining, 206.765625 MB of memory in use. ENERGY: 229800 766.7863 2063.5729 1944.6517 114.1819 -206898.4244 17947.8778 0.0000 0.0000 34355.9557 -149705.3981 300.0391 -184061.3538 -149609.0146 297.6172 -138.9899 -105.5781 556020.1603 12.9674 12.9170 PRESSURE: 230000 -119.523 -76.3761 -109.851 -76.3757 329.038 -61.2597 -109.853 -61.2593 -29.6749 GPRESSURE: 230000 -100.798 -112.478 -13.4519 -81.1062 348.401 -97.6657 -112.139 -54.0916 27.2921 PRESSAVG: 230000 10.182 -11.225 -12.3416 -11.225 48.7506 -64.9651 -12.3416 -64.9652 -19.4298 GPRESSAVG: 230000 10.6223 -9.96242 -11.8234 -11.3808 48.4471 -63.0562 -12.0801 -65.2103 -19.383 TIMING: 230000 CPU: 686.834, 0.00296535/step Wall: 686.834, 0.00296535/step, 3.92908 hours remaining, 206.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 230000 744.1802 2124.6895 1962.5084 107.6323 -206961.0116 18186.2982 0.0000 0.0000 34134.9554 -149700.7475 298.1091 -183835.7029 -149610.4215 298.0571 59.9466 91.6318 557203.6013 13.1676 13.2288 PRESSURE: 230200 -157.81 17.2638 -28.8296 17.2636 -88.4903 58.2297 -28.83 58.2291 -299.254 GPRESSURE: 230200 -187.874 13.4336 7.57959 -7.0233 -41.0648 40.2695 -70.2565 105.781 -233.393 PRESSAVG: 230200 -20.8322 -36.5223 -50.5939 -36.5224 -21.0338 30.0784 -50.5938 30.0784 32.3827 GPRESSAVG: 230200 -21.4484 -35.7354 -50.2924 -38.1447 -20.2694 29.831 -50.7064 28.6514 31.9501 TIMING: 230200 CPU: 687.425, 0.00295404/step Wall: 687.425, 0.00295404/step, 3.91394 hours remaining, 206.765625 MB of memory in use. ENERGY: 230200 729.7984 2042.1102 1943.1848 106.0549 -206104.2575 17528.8585 0.0000 0.0000 34348.2134 -149406.0373 299.9715 -183754.2508 -149312.8704 298.2576 -181.8514 -154.1107 559068.4765 -3.1611 -3.2559 PRESSURE: 230400 -6.33349 64.7607 34.8667 64.761 101.479 -71.2055 34.8678 -71.2045 -7.00135 GPRESSURE: 230400 56.9508 64.9801 36.1617 91.3411 119.163 -112.061 -41.4685 -76.3918 1.15988 PRESSAVG: 230400 -26.3404 -15.8214 -45.464 -15.8213 29.5374 -30.1657 -45.464 -30.1657 -8.74893 GPRESSAVG: 230400 -24.7013 -17.7232 -47.9575 -13.6121 28.3602 -31.7376 -46.3956 -28.3306 -9.12108 TIMING: 230400 CPU: 688.022, 0.00298913/step Wall: 688.022, 0.00298913/step, 3.96027 hours remaining, 206.765625 MB of memory in use. ENERGY: 230400 747.8410 2102.0616 1924.5072 107.7458 -206217.1470 17758.0083 0.0000 0.0000 34383.9416 -149193.0416 300.2835 -183576.9832 -149096.2436 299.2100 29.3813 59.0911 558001.9174 -1.8506 -1.8207 PRESSURE: 230600 112.786 35.2428 -143.731 35.2414 237.717 7.40627 -143.73 7.40561 183.636 GPRESSURE: 230600 158.376 66.0247 -165.436 -64.7992 228.912 -107.154 -101.494 151.433 239.4 PRESSAVG: 230600 -72.0924 3.08769 40.7967 3.08773 32.2916 -20.7523 40.7967 -20.7523 21.0039 GPRESSAVG: 230600 -74.3551 5.40903 45.4369 1.59998 32.5264 -19.6136 40.8159 -20.6221 23.5278 TIMING: 230600 CPU: 688.624, 0.00300598/step Wall: 688.624, 0.00300598/step, 3.98243 hours remaining, 206.765625 MB of memory in use. ENERGY: 230600 724.3890 2124.3738 1948.6716 125.5498 -206333.8715 17956.2167 0.0000 0.0000 34287.2747 -149167.3959 299.4393 -183454.6707 -149067.9854 299.5558 178.0465 208.8961 556308.4712 -6.2656 -6.1003 PRESSURE: 230800 -120.129 -135.828 -46.934 -135.828 -140.047 -51.8639 -46.9331 -51.8634 -173.148 GPRESSURE: 230800 -79.4874 -119.031 41.1848 -136.572 -105.64 -132.461 -138.654 46.9662 -155.86 PRESSAVG: 230800 -83.9324 15.152 8.1308 15.152 23.9543 -18.5756 8.13074 -18.5755 9.1051 GPRESSAVG: 230800 -83.5393 14.9584 5.09172 14.3524 25.7699 -18.2567 8.62526 -19.8842 6.50551 TIMING: 230800 CPU: 689.228, 0.00302038/step Wall: 689.228, 0.00302038/step, 4.00133 hours remaining, 206.765625 MB of memory in use. ENERGY: 230800 747.2504 2058.2953 1944.9649 114.5375 -206018.6425 17657.0551 0.0000 0.0000 34375.5811 -149120.9582 300.2105 -183496.5393 -149018.2155 299.0906 -144.4410 -113.6624 558860.5817 -16.9577 -17.0880 PRESSURE: 231000 35.4867 126.35 -97.1546 126.351 -101.91 -140.933 -97.1551 -140.934 1.49779 GPRESSURE: 231000 80.1535 116.95 -50.2942 82.5417 -115.093 -96.1206 -68.9341 -213.399 68.9639 PRESSAVG: 231000 -7.596 41.7047 -38.8538 41.7047 17.2726 67.5886 -38.8538 67.5885 50.248 GPRESSAVG: 231000 -7.6429 41.1071 -35.7869 42.2622 16.6897 68.1188 -40.4603 68.3321 50.4553 TIMING: 231000 CPU: 689.831, 0.00301717/step Wall: 689.831, 0.00301717/step, 3.99691 hours remaining, 206.765625 MB of memory in use. ENERGY: 231000 730.4261 2098.5052 1954.3272 111.7149 -206212.7468 17835.6149 0.0000 0.0000 34332.7797 -149149.3787 299.8367 -183482.1585 -149053.1404 299.5839 -21.6418 11.3416 559161.7180 19.9749 19.8340 PRESSURE: 231200 187.872 32.7038 -229.267 32.7053 230.711 -47.452 -229.267 -47.4513 -105.218 GPRESSURE: 231200 232.3 -98.169 -222.479 133.176 270.977 -11.4122 -266.526 -50.8743 -94.8085 PRESSAVG: 231200 -11.2877 -24.8566 -20.2688 -24.8566 -20.3734 -39.1685 -20.2688 -39.1683 -10.4069 GPRESSAVG: 231200 -11.3582 -25.2551 -24.1882 -23.4016 -19.8637 -40.3804 -19.6244 -40.2516 -10.8595 TIMING: 231200 CPU: 690.429, 0.0029877/step Wall: 690.429, 0.0029877/step, 3.95771 hours remaining, 206.765625 MB of memory in use. ENERGY: 231200 728.2449 2086.7339 1944.6906 104.3379 -206131.4548 17954.9644 0.0000 0.0000 34165.1562 -149147.3268 298.3728 -183312.4830 -149053.2224 299.5227 104.4550 136.1562 558464.7941 -14.0226 -14.0271 PRESSURE: 231400 130.771 187.231 35.1792 187.231 95.0405 -107.448 35.1776 -107.448 85.9553 GPRESSURE: 231400 110.65 113.275 47.7633 103.368 116.387 -157.083 70.2398 -30.1888 186.989 PRESSAVG: 231400 94.7563 35.9712 -31.6035 35.9712 -29.4962 7.88725 -31.6035 7.88714 -2.34777 GPRESSAVG: 231400 93.9344 39.7178 -30.397 31.6297 -29.9501 7.95948 -31.2276 10.714 -0.380491 TIMING: 231400 CPU: 691.019, 0.00295382/step Wall: 691.019, 0.00295382/step, 3.91266 hours remaining, 206.765625 MB of memory in use. ENERGY: 231400 721.6635 2082.1300 1923.2096 111.9697 -206156.9628 17859.9903 0.0000 0.0000 34201.8037 -149256.1960 298.6929 -183457.9998 -149152.5446 299.1339 103.9223 138.0086 556312.4628 20.9708 21.2013 PRESSURE: 231600 39.5815 -40.6247 158.101 -40.6256 -296.708 7.65603 158.102 7.65598 51.7763 GPRESSURE: 231600 109.289 -109.959 159.664 -50.782 -253.557 74.1173 149.781 50.1701 31.4044 PRESSAVG: 231600 32.943 2.38158 -30.8244 2.38156 -29.0093 -0.454472 -30.8243 -0.454531 -14.838 GPRESSAVG: 231600 32.5751 0.67544 -31.2165 4.74035 -28.4057 0.209771 -30.046 -3.70374 -14.5386 TIMING: 231600 CPU: 691.612, 0.00296078/step Wall: 691.612, 0.00296078/step, 3.92172 hours remaining, 206.765625 MB of memory in use. ENERGY: 231600 740.6826 2060.2020 1910.6175 105.4771 -206373.8396 17692.6778 0.0000 0.0000 34390.5044 -149473.6783 300.3408 -183864.1826 -149380.0470 298.9344 -68.4499 -37.6213 556488.8704 -3.6348 -3.4564 PRESSURE: 231800 -150.308 45.0263 -12.2387 45.0248 -36.5992 -153.234 -12.2387 -153.234 129.954 GPRESSURE: 231800 -123.541 95.5377 -11.9032 24.9988 -1.41198 -152.515 62.6261 -127.676 156.589 PRESSAVG: 231800 6.73222 41.9461 7.09423 41.9461 18.6829 -85.3701 7.09426 -85.3702 -22.5684 GPRESSAVG: 231800 7.99746 40.3237 6.65916 41.6353 16.9582 -85.1582 8.2389 -86.1104 -22.1727 TIMING: 231800 CPU: 692.205, 0.00296587/step Wall: 692.205, 0.00296587/step, 3.9283 hours remaining, 206.765625 MB of memory in use. ENERGY: 231800 721.5239 2096.5638 1953.4066 124.0957 -206204.1379 17622.5085 0.0000 0.0000 34165.6535 -149520.3859 298.3771 -183686.0394 -149422.6829 298.4390 -18.9844 10.5454 557213.4139 0.9489 0.9277 PRESSURE: 232000 -252.085 -89.1473 -109.021 -89.1483 -47.0819 -2.08677 -109.021 -2.08872 -91.7393 GPRESSURE: 232000 -225.751 -80.9948 -146.463 -41.5099 -38.0861 30.7595 -32.6304 -87.0682 -37.7793 PRESSAVG: 232000 -47.4841 18.6206 3.01226 18.6206 74.1405 -54.3307 3.01218 -54.3307 -51.7301 GPRESSAVG: 232000 -46.5026 18.6599 4.39642 20.7235 75.3294 -56.0933 3.61252 -52.5459 -53.661 TIMING: 232000 CPU: 692.796, 0.00295787/step Wall: 692.796, 0.00295787/step, 3.91753 hours remaining, 206.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 232000 749.9379 2106.9371 1947.8473 117.9249 -206045.1910 17554.9745 0.0000 0.0000 34187.7556 -149379.8137 298.5702 -183567.5693 -149279.7305 298.1734 -130.3021 -100.5387 558370.0610 -8.3579 -8.2780 PRESSURE: 232200 53.4692 1.51049 -21.7949 1.51052 -183.789 58.4163 -21.7955 58.415 -0.00685275 GPRESSURE: 232200 106.724 14.1187 -21.5964 47.3831 -158.134 18.9842 0.867526 56.7691 33.4822 PRESSAVG: 232200 -15.1104 -39.8818 24.9126 -39.8819 64.8287 -35.6637 24.9126 -35.6637 -19.5984 GPRESSAVG: 232200 -14.98 -39.7902 26.1199 -39.3477 63.9402 -34.9685 24.8045 -35.7643 -18.4364 TIMING: 232200 CPU: 693.39, 0.00297118/step Wall: 693.39, 0.00297118/step, 3.935 hours remaining, 206.765625 MB of memory in use. ENERGY: 232200 745.1559 2118.2200 1964.3324 100.3966 -206142.5103 17683.3875 0.0000 0.0000 34108.3528 -149422.6651 297.8767 -183531.0179 -149327.6741 298.5524 -43.4422 -5.9760 557301.2246 10.0400 10.1746 LDB: ============= START OF LOAD BALANCING ============== 696.936 LDB: ============== END OF LOAD BALANCING =============== 696.936 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 696.938 LDB: ============= START OF LOAD BALANCING ============== 697.235 LDB: Largest compute 4796 load 0.028248 is 23.9% of average load 0.118008 LDB: Average compute 0.001733 is 1.5% of average load 0.118008 LDB: TIME 697.237 LOAD: AVG 0.118008 MAX 0.206346 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.137 MB LDB: TIME 697.238 LOAD: AVG 0.118008 MAX 0.206346 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.141 MB LDB: TIME 697.238 LOAD: AVG 0.118008 MAX 0.206346 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.141 MB LDB: ============== END OF LOAD BALANCING =============== 697.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 697.244 PRESSURE: 232400 147.1 -116.903 96.8883 -116.903 -0.835612 -1.44941 96.8884 -1.44757 -246.932 GPRESSURE: 232400 146.216 -116.513 74.1501 -158.912 38.018 -87.6097 104.934 17.4717 -187.331 PRESSAVG: 232400 31.944 41.7257 58.9484 41.7257 -30.448 -68.3838 58.9483 -68.3838 -18.4213 GPRESSAVG: 232400 31.0449 42.9584 57.4962 40.4299 -28.8583 -66.7991 59.1019 -68.233 -19.2552 TIMING: 232400 CPU: 693.994, 0.00301591/step Wall: 693.994, 0.00301591/step, 3.99407 hours remaining, 204.746094 MB of memory in use. ENERGY: 232400 746.3258 2062.9702 1939.1445 102.4874 -206258.2955 17649.9590 0.0000 0.0000 34212.0041 -149545.4046 298.7819 -183757.4087 -149448.1369 298.2164 -33.5556 -1.0325 556807.3693 -5.6417 -5.6895 PRESSURE: 232600 -184.586 -109.102 26.9289 -109.102 130.791 65.0063 26.9284 65.0072 48.4417 GPRESSURE: 232600 -130.794 -64.9958 -52.3739 -40.2225 157.597 108.204 -21.2931 44.1036 73.3626 PRESSAVG: 232600 -20.398 -27.4563 -46.7769 -27.4563 84.1751 -20.1929 -46.7769 -20.1928 -21.2066 GPRESSAVG: 232600 -19.2644 -26.6074 -45.534 -27.6762 82.9691 -20.0645 -48.7488 -20.7195 -21.3828 TIMING: 232600 CPU: 694.591, 0.00298874/step Wall: 694.591, 0.00298875/step, 3.95793 hours remaining, 204.746094 MB of memory in use. ENERGY: 232600 728.2843 2000.1214 1973.1451 108.8486 -205956.0183 17716.7543 0.0000 0.0000 33893.4054 -149535.4593 295.9995 -183428.8646 -149443.6535 297.6975 -1.7844 33.3883 557401.7993 14.1901 14.1073 PRESSURE: 232800 -154.871 -78.8637 -80.9351 -78.8632 50.2344 20.8067 -80.9369 20.8071 -400.696 GPRESSURE: 232800 -129.89 -120.219 -49.4366 -59.5374 49.5356 53.8992 -47.053 45.5214 -340.638 PRESSAVG: 232800 4.94061 14.9094 -69.0311 14.9094 17.6385 -8.84898 -69.0311 -8.84898 -34.9236 GPRESSAVG: 232800 3.83181 14.0219 -70.5939 16.3132 18.7871 -9.33859 -67.3492 -8.85422 -34.912 TIMING: 232800 CPU: 695.181, 0.0029458/step Wall: 695.181, 0.0029458/step, 3.90089 hours remaining, 204.753906 MB of memory in use. ENERGY: 232800 708.3635 2079.4153 1930.1952 110.0440 -206385.0213 17585.8897 0.0000 0.0000 34382.6371 -149588.4765 300.2721 -183971.1136 -149486.9239 298.4787 -168.4442 -140.3308 555018.0687 -4.1148 -4.0977 PRESSURE: 233000 -260.541 66.3569 1.39998 66.3566 73.3919 -93.6014 1.40041 -93.6011 97.1236 GPRESSURE: 233000 -233.981 72.0086 -74.4698 75.5248 89.8696 -58.3312 23.0964 -77.5953 146.289 PRESSAVG: 233000 10.5754 -14.1583 -54.7324 -14.1582 50.2087 -19.673 -54.7324 -19.673 -24.1852 GPRESSAVG: 233000 10.4554 -15.6872 -52.8088 -15.3509 50.5759 -20.2849 -55.1258 -17.9737 -24.6658 TIMING: 233000 CPU: 695.768, 0.0029366/step Wall: 695.768, 0.0029366/step, 3.88855 hours remaining, 204.753906 MB of memory in use. ENERGY: 233000 720.4796 2071.0065 1947.7143 128.8270 -206630.2237 17790.2277 0.0000 0.0000 34299.4598 -149672.5089 299.5457 -183971.9687 -149570.3932 298.3596 -30.0084 0.7258 555864.8919 12.1996 12.1218 PRESSURE: 233200 42.5104 -124.631 -56.256 -124.632 52.8155 115.531 -56.2557 115.53 -183.672 GPRESSURE: 233200 90.9976 -129.374 -66.48 -110.999 50.9843 41.4702 -11.3998 48.4798 -123.216 PRESSAVG: 233200 -63.125 12.6399 5.56796 12.6399 69.7532 19.9641 5.56793 19.9642 -19.0534 GPRESSAVG: 233200 -62.9926 13.3605 4.63689 12.9517 67.8874 20.3156 5.15552 16.8791 -17.3449 TIMING: 233200 CPU: 696.355, 0.00293621/step Wall: 696.355, 0.00293621/step, 3.88787 hours remaining, 204.753906 MB of memory in use. ENERGY: 233200 747.5316 2053.3531 1947.4365 116.2159 -206290.0057 17589.4301 0.0000 0.0000 34272.9154 -149563.1231 299.3139 -183836.0385 -149472.3457 298.2205 -29.4486 6.2553 556676.9912 -4.1417 -4.1500 PRESSURE: 233400 -157.055 128.825 48.1632 128.825 -167.361 -47.1603 48.1636 -47.1608 -6.59374 GPRESSURE: 233400 -121.297 168.355 96.8088 61.5002 -148.492 -4.46081 -71.4866 -26.9887 27.3611 PRESSAVG: 233400 -10.3735 15.0997 41.2986 15.0998 -5.38925 19.4114 41.2986 19.4116 -23.4013 GPRESSAVG: 233400 -9.81469 13.8158 41.2784 14.3494 -5.08368 20.6774 40.0457 18.8464 -24.4365 TIMING: 233400 CPU: 696.949, 0.00296859/step Wall: 696.949, 0.00296859/step, 3.93058 hours remaining, 204.753906 MB of memory in use. ENERGY: 233400 758.6891 2031.6937 1975.4403 100.2678 -206394.9199 17661.6114 0.0000 0.0000 34247.8427 -149619.3749 299.0949 -183867.2176 -149525.5572 298.5201 -110.3365 -80.8092 557557.6206 -13.0547 -13.1116 PRESSURE: 233600 -23.8404 -108.434 -224.305 -108.435 125.505 38.0649 -224.306 38.0637 237.464 GPRESSURE: 233600 -9.44262 -169.796 -294.405 -103.855 210.047 2.22366 -214.92 34.3402 226.592 PRESSAVG: 233600 -31.3643 7.55969 -38.6456 7.55963 67.0811 43.7005 -38.6456 43.7005 -16.5144 GPRESSAVG: 233600 -31.7497 11.0221 -39.0642 6.61334 67.8982 42.3554 -36.7896 44.1339 -16.9339 TIMING: 233600 CPU: 697.539, 0.00294941/step Wall: 697.539, 0.00294941/step, 3.90501 hours remaining, 204.753906 MB of memory in use. ENERGY: 233600 746.8619 2039.5070 1953.2760 114.7786 -206455.1583 17966.0445 0.0000 0.0000 34023.1721 -149611.5181 297.1328 -183634.6902 -149517.3706 298.4020 113.0430 142.3988 556768.5800 6.4008 6.4049 PRESSURE: 233800 56.5387 -21.4284 -25.4653 -21.428 -194.937 -56.9162 -25.4658 -56.914 -245.539 GPRESSURE: 233800 47.3801 -46.9255 -55.9198 -29.6593 -129.676 -42.6714 -22.4282 -37.8931 -208.118 PRESSAVG: 233800 -9.20676 -8.25456 -15.1683 -8.25453 53.6952 0.178152 -15.1683 0.178112 -3.06326 GPRESSAVG: 233800 -8.76654 -11.0815 -15.9252 -5.69568 52.5389 0.413703 -14.64 -0.194759 -1.7252 TIMING: 233800 CPU: 698.129, 0.00295199/step Wall: 698.129, 0.00295199/step, 3.90827 hours remaining, 204.753906 MB of memory in use. ENERGY: 233800 723.0840 2086.7585 1962.6274 107.6480 -206158.5082 17417.1882 0.0000 0.0000 34238.7366 -149622.4655 299.0154 -183861.2022 -149518.9671 297.9967 -127.9790 -96.8047 557423.9740 13.8084 14.0157 PRESSURE: 234000 -380.45 -87.7497 159.25 -87.7498 -360.062 81.0852 159.249 81.0844 -93.1172 GPRESSURE: 234000 -271.773 -80.7359 162.087 -143.916 -342.766 41.5519 180.315 121.048 -119.649 PRESSAVG: 234000 -37.7589 3.76867 29.7283 3.76866 0.537787 26.9575 29.7283 26.9576 33.7365 GPRESSAVG: 234000 -38.2588 7.49331 29.0992 0.176041 1.98768 25.5688 30.3855 28.0846 33.3021 TIMING: 234000 CPU: 698.723, 0.00296979/step Wall: 698.723, 0.00296979/step, 3.93167 hours remaining, 204.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 234000 792.3135 2067.0238 1952.5527 109.1668 -205947.7662 17485.6492 0.0000 0.0000 34100.7251 -149440.3350 297.8101 -183541.0602 -149346.0392 297.5879 -277.8762 -244.7292 558984.8748 -1.1615 -0.9897 PRESSURE: 234200 -0.845879 -41.0564 79.964 -41.0553 -167.706 36.1371 79.9643 36.1368 -48.1277 GPRESSURE: 234200 89.5735 -49.7973 162.833 -3.79262 -165.077 14.9126 22.0088 28.0978 -38.3421 PRESSAVG: 234200 2.17709 6.11928 13.5691 6.11925 -25.457 30.2546 13.5691 30.2545 23.5505 GPRESSAVG: 234200 3.49192 4.20772 12.3468 10.6331 -26.5653 31.2086 13.6995 31.695 23.7533 TIMING: 234200 CPU: 699.312, 0.00294587/step Wall: 699.312, 0.00294587/step, 3.89984 hours remaining, 204.753906 MB of memory in use. ENERGY: 234200 772.4442 2052.5252 1925.2955 103.6588 -206365.5312 17793.7881 0.0000 0.0000 34079.7688 -149638.0506 297.6271 -183717.8194 -149542.0203 298.3680 -72.2265 -37.9487 557139.2853 0.0902 0.2266 PRESSURE: 234400 -246.609 -204.221 169.815 -204.222 210.786 -53.2711 169.814 -53.2711 -312.969 GPRESSURE: 234400 -220.746 -215.417 180.022 -68.8102 193.501 -33.9516 159.581 -97.1258 -220.185 PRESSAVG: 234400 -12.6473 35.0772 -24.0356 35.0772 54.0854 -13.3029 -24.0357 -13.303 -34.2474 GPRESSAVG: 234400 -13.8787 33.5334 -23.3846 34.485 55.2414 -14.0279 -23.9529 -13.5278 -34.2717 TIMING: 234400 CPU: 699.903, 0.00295494/step Wall: 699.903, 0.00295494/step, 3.91169 hours remaining, 204.753906 MB of memory in use. ENERGY: 234400 765.6252 2060.6474 1933.7118 118.6761 -206322.9236 17593.7537 0.0000 0.0000 34146.2433 -149704.2660 298.2076 -183850.5093 -149605.3795 298.3139 -116.2641 -82.4763 556238.2662 2.3969 2.3636 PRESSURE: 234600 -199.014 -66.6131 116.064 -66.6133 -133.467 52.8683 116.065 52.8697 -75.4558 GPRESSURE: 234600 -167.994 -122.791 165.596 19.302 -99.2279 -41.8432 91.5993 77.3922 -57.8504 PRESSAVG: 234600 24.984 -49.3559 -25.0421 -49.3558 48.6306 10.3804 -25.0421 10.3805 -94.1194 GPRESSAVG: 234600 26.0117 -48.0856 -21.8778 -48.6309 47.9619 10.0203 -27.6654 11.5848 -94.6999 TIMING: 234600 CPU: 700.498, 0.00297275/step Wall: 700.498, 0.00297275/step, 3.93509 hours remaining, 204.753906 MB of memory in use. ENERGY: 234600 735.5309 2051.6661 1959.2262 111.0111 -205987.7259 17443.8884 0.0000 0.0000 33959.6087 -149726.7944 296.5777 -183686.4031 -149638.6843 297.8529 -135.9791 -108.3576 556668.3452 -6.8349 -6.9088 PRESSURE: 234800 -202.46 -29.5991 53.1019 -29.5983 -230.585 87.3934 53.1001 87.3944 -266.914 GPRESSURE: 234800 -147.057 32.7782 44.8736 -6.10713 -203.355 115.476 28.1429 23.0208 -247.476 PRESSAVG: 234800 12.8597 -34.0133 11.2068 -34.0134 33.098 -10.1874 11.2067 -10.1875 -66.0829 GPRESSAVG: 234800 13.6665 -34.046 9.08331 -36.6696 32.8805 -10.2878 12.8799 -12.1607 -66.5096 TIMING: 234800 CPU: 701.092, 0.00297111/step Wall: 701.092, 0.00297111/step, 3.93275 hours remaining, 204.753906 MB of memory in use. ENERGY: 234800 758.9954 2043.8026 1916.1218 113.8183 -205859.2440 17318.5191 0.0000 0.0000 34105.3512 -149602.6357 297.8505 -183707.9868 -149502.5868 298.4368 -233.3198 -199.2959 555943.5813 -6.7084 -6.6542 PRESSURE: 235000 -256.904 143.339 97.303 143.34 213.583 -44.4879 97.3027 -44.489 -274.115 GPRESSURE: 235000 -215.572 174.845 25.6201 138.943 228.993 -17.6507 28.4545 -42.8113 -242.043 PRESSAVG: 235000 -2.50331 -4.02461 -19.8526 -4.02458 -50.9471 -25.062 -19.8526 -25.062 72.9096 GPRESSAVG: 235000 -3.54082 -3.75189 -19.7927 -2.32686 -50.2648 -24.7058 -20.0729 -25.1207 72.5959 TIMING: 235000 CPU: 701.692, 0.00299827/step Wall: 701.692, 0.00299827/step, 3.96854 hours remaining, 204.753906 MB of memory in use. ENERGY: 235000 748.6498 2085.6583 1967.5605 117.6027 -206392.5078 17619.8536 0.0000 0.0000 34271.7153 -149581.4675 299.3034 -183853.1828 -149486.5641 298.1969 -105.8121 -76.2074 557770.6950 6.4864 6.2634 PRESSURE: 235200 -172.486 114.508 99.9665 114.509 -273.621 61.366 99.9668 61.3657 -196.072 GPRESSURE: 235200 -170.303 88.7228 226.855 95.8569 -215.464 73.816 52.3631 61.8777 -165.579 PRESSAVG: 235200 63.1193 9.75244 53.5506 9.75252 -53.7236 -6.38232 53.5507 -6.38219 -25.4986 GPRESSAVG: 235200 62.4173 10.3566 52.5152 9.56676 -54.3782 -6.20107 54.4188 -8.1127 -23.8911 TIMING: 235200 CPU: 702.287, 0.00297648/step Wall: 702.287, 0.00297648/step, 3.93954 hours remaining, 204.753906 MB of memory in use. ENERGY: 235200 739.1502 2044.7343 1911.1211 101.0439 -206132.7052 17490.2444 0.0000 0.0000 34259.1224 -149587.2887 299.1934 -183846.4111 -149486.7902 298.0768 -214.0595 -183.7821 558461.5100 -5.3677 -5.2840 PRESSURE: 235400 56.1862 -95.4065 -148.459 -95.4075 -256.685 98.6699 -148.46 98.6686 -206.394 GPRESSURE: 235400 87.1945 -148.707 -90.4968 -60.1444 -198.559 115.956 -175.875 93.5685 -190.696 PRESSAVG: 235400 21.3702 -41.5829 25.8939 -41.583 -34.8174 53.6395 25.8939 53.6395 37.2059 GPRESSAVG: 235400 22.9735 -42.2814 25.7972 -42.5198 -34.5207 53.4036 25.2272 55.2334 35.2583 TIMING: 235400 CPU: 702.888, 0.00300386/step Wall: 702.888, 0.00300386/step, 3.97561 hours remaining, 204.753906 MB of memory in use. ENERGY: 235400 768.5430 2032.6784 1922.2169 110.5371 -206219.3638 17838.3520 0.0000 0.0000 34224.1688 -149322.8674 298.8882 -183547.0362 -149229.3173 298.7105 -135.6310 -100.6868 558723.7385 7.9196 7.9037 PRESSURE: 235600 -251.465 -173.954 127.481 -173.954 -84.7634 -87.047 127.482 -87.0465 -279.588 GPRESSURE: 235600 -177.287 -173.263 69.0041 -101.647 -33.4799 -73.2873 137.094 -103.905 -301.616 PRESSAVG: 235600 -70.2399 6.91729 -43.5447 6.91723 38.3322 36.3172 -43.5448 36.3172 13.3427 GPRESSAVG: 235600 -71.1648 7.29042 -42.1464 6.34292 37.5498 35.2174 -42.7753 37.1133 14.8442 TIMING: 235600 CPU: 703.494, 0.00303199/step Wall: 703.494, 0.00303199/step, 4.01267 hours remaining, 204.753906 MB of memory in use. ENERGY: 235600 764.3652 2077.6069 1925.4684 95.5794 -205953.7866 17481.7366 0.0000 0.0000 34190.4685 -149418.5616 298.5939 -183609.0301 -149326.4209 298.8508 -205.2721 -170.7944 557637.4278 -6.1883 -6.2569 PRESSURE: 235800 -190.057 81.2519 -1.42709 81.2531 -22.7655 -105.16 -1.42741 -105.158 -170.263 GPRESSURE: 235800 -204.934 53.0422 77.657 138.801 48.1636 -65.6555 -23.8338 -117.728 -117.762 PRESSAVG: 235800 35.5981 -5.42709 64.4947 -5.42713 -24.0362 -56.1977 64.4947 -56.1976 -14.957 GPRESSAVG: 235800 36.3012 -4.73459 64.4032 -3.7735 -22.6301 -55.6321 64.0573 -56.9508 -16.8226 TIMING: 235800 CPU: 704.086, 0.00295877/step Wall: 704.086, 0.00295877/step, 3.91561 hours remaining, 204.753906 MB of memory in use. ENERGY: 235800 758.8612 2032.5457 1984.7696 119.1052 -205927.5822 17671.9729 0.0000 0.0000 34046.9884 -149313.3391 297.3408 -183360.3276 -149222.1220 299.8799 -127.6952 -91.5109 557988.3263 -1.1317 -1.0505 PRESSURE: 236000 -289.941 -9.07318 63.9179 -9.0727 -251.145 -6.10173 63.9188 -6.10224 -35.7461 GPRESSURE: 236000 -227.126 -6.86336 -8.0799 -27.138 -260.269 -75.0713 165.052 -0.584669 20.9005 PRESSAVG: 236000 33.0819 -38.5963 28.2334 -38.5963 8.49674 13.7094 28.2335 13.7095 29.6428 GPRESSAVG: 236000 32.1406 -39.4307 29.4464 -38.9312 8.81967 14.9383 26.4248 14.098 30.847 TIMING: 236000 CPU: 704.685, 0.00299322/step Wall: 704.685, 0.00299322/step, 3.96103 hours remaining, 204.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 236000 729.9365 2081.8674 1918.7900 107.4184 -206182.5856 17671.7746 0.0000 0.0000 34268.4786 -149404.3202 299.2751 -183672.7988 -149312.6183 299.2804 -192.2773 -155.4980 558300.3338 23.7405 23.9357 PRESSURE: 236200 -145.583 -64.8986 103.237 -64.8996 4.30063 -74.7124 103.237 -74.712 106.588 GPRESSURE: 236200 -127.545 13.4869 91.1632 -98.4756 36.7356 -40.889 33.9222 -91.0289 147.96 PRESSAVG: 236200 -5.34334 -37.573 81.1119 -37.573 11.5025 8.10432 81.1118 8.10434 19.8131 GPRESSAVG: 236200 -5.02551 -35.3191 79.032 -36.4184 10.9751 7.83108 80.7158 7.82054 20.1029 TIMING: 236200 CPU: 705.279, 0.0029736/step Wall: 705.279, 0.0029736/step, 3.9349 hours remaining, 204.753906 MB of memory in use. ENERGY: 236200 747.8065 2101.8230 1912.8491 112.8205 -206281.6986 17796.5617 0.0000 0.0000 34052.0245 -149557.8134 297.3848 -183609.8378 -149462.5941 298.4651 -11.5648 19.0503 556502.5234 8.6574 8.6842 LDB: ============= START OF LOAD BALANCING ============== 708.83 LDB: ============== END OF LOAD BALANCING =============== 708.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 708.831 LDB: ============= START OF LOAD BALANCING ============== 709.131 LDB: Largest compute 4796 load 0.028564 is 24.2% of average load 0.118036 LDB: Average compute 0.001733 is 1.5% of average load 0.118036 LDB: TIME 709.134 LOAD: AVG 0.118036 MAX 0.20815 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.551 MB LDB: TIME 709.134 LOAD: AVG 0.118036 MAX 0.20815 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.754 MB LDB: TIME 709.134 LOAD: AVG 0.118036 MAX 0.20815 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.754 MB LDB: ============== END OF LOAD BALANCING =============== 709.136 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 709.14 PRESSURE: 236400 233.126 -13.6824 -54.2939 -13.683 -18.7512 -57.137 -54.2937 -57.1361 -54.4811 GPRESSURE: 236400 270.409 -60.694 64.4026 7.29885 6.91999 -93.9524 22.8553 -17.807 -22.7972 PRESSAVG: 236400 5.9057 -11.7574 20.9055 -11.7574 16.0005 13.7942 20.9055 13.7941 18.3301 GPRESSAVG: 236400 6.22989 -14.6335 21.4045 -11.8303 15.4346 13.9809 23.5763 14.2858 17.8147 TIMING: 236400 CPU: 705.89, 0.0030544/step Wall: 705.89, 0.0030544/step, 4.04165 hours remaining, 206.019531 MB of memory in use. ENERGY: 236400 737.3139 2097.3746 1951.1305 95.5778 -206545.7262 17959.3317 0.0000 0.0000 34200.0211 -149504.9767 298.6773 -183704.9978 -149409.0896 298.5630 53.2980 84.8440 557339.6549 13.4121 13.1597 PRESSURE: 236600 -56.9923 46.906 -75.1042 46.9064 48.171 82.0595 -75.1042 82.0591 -164.887 GPRESSURE: 236600 -122.306 76.6369 -22.2464 -55.1897 130.242 135.11 -133.67 58.4436 -88.0969 PRESSAVG: 236600 13.7944 7.78859 82.598 7.78865 -9.50119 17.0661 82.5979 17.0661 37.3227 GPRESSAVG: 236600 12.8949 8.86405 82.8785 7.56779 -9.06832 16.1029 81.3724 16.5707 37.5804 TIMING: 236600 CPU: 706.495, 0.00302419/step Wall: 706.495, 0.00302419/step, 4.0015 hours remaining, 206.019531 MB of memory in use. ENERGY: 236600 745.0264 2128.9228 1967.0094 114.7662 -206107.0235 17470.5810 0.0000 0.0000 34352.2100 -149328.5077 300.0064 -183680.7177 -149233.1085 298.4220 -57.9029 -26.7205 555231.6733 13.8720 13.8023 PRESSURE: 236800 -126.053 -116.37 -88.3207 -116.368 -194.847 80.5335 -88.321 80.5333 -162.513 GPRESSURE: 236800 -131.122 -197.403 -143.536 -119.752 -125.188 152.846 -107.358 63.8964 -135.58 PRESSAVG: 236800 -8.82621 11.8027 -30.6311 11.8027 45.1122 47.0993 -30.6311 47.0993 -38.2635 GPRESSAVG: 236800 -8.7541 12.4054 -29.8023 11.1345 44.7925 48.0169 -30.108 46.5749 -38.493 TIMING: 236800 CPU: 707.098, 0.00301563/step Wall: 707.098, 0.00301563/step, 3.99002 hours remaining, 206.019531 MB of memory in use. ENERGY: 236800 755.4253 2057.8815 1994.8541 126.7128 -205951.6377 17539.7738 0.0000 0.0000 34339.5581 -149137.4321 299.8959 -183476.9903 -149038.3575 298.9470 -161.1374 -130.6300 556079.5508 -0.6592 -0.8182 PRESSURE: 237000 120.632 8.43242 -65.2984 8.43218 -81.1201 -63.2755 -65.2985 -63.2739 -128.567 GPRESSURE: 237000 128.806 -42.9067 10.597 72.0471 -11.9258 -51.6805 -95.0199 -41.2212 -119.138 PRESSAVG: 237000 23.5148 26.5837 10.4794 26.5838 16.7535 4.19734 10.4795 4.19735 -18.3188 GPRESSAVG: 237000 22.7055 26.4007 9.96243 25.8785 17.6492 3.44594 11.2332 5.36869 -19.0241 TIMING: 237000 CPU: 707.694, 0.0029811/step Wall: 707.694, 0.0029811/step, 3.94417 hours remaining, 206.019531 MB of memory in use. ENERGY: 237000 721.3273 2119.7257 1936.5629 109.6218 -206130.3095 17726.1647 0.0000 0.0000 34448.2934 -149068.6137 300.8455 -183516.9072 -148965.0575 299.9499 -29.6850 -0.7526 556843.6739 7.3165 7.1102 PRESSURE: 237200 -89.0457 167.436 -158.226 167.435 -277.911 -44.233 -158.227 -44.2336 -134.368 GPRESSURE: 237200 -51.9737 243.591 -119.878 84.8666 -299.295 -65.5626 -173.538 17.5707 -52.6109 PRESSAVG: 237200 -39.8571 -23.9345 -42.3678 -23.9345 33.1191 4.5329 -42.3676 4.53292 39.2905 GPRESSAVG: 237200 -38.2206 -23.5976 -42.2599 -22.9461 32.3276 2.83457 -43.9327 5.30824 38.6749 TIMING: 237200 CPU: 708.292, 0.0029872/step Wall: 708.292, 0.0029872/step, 3.95207 hours remaining, 206.019531 MB of memory in use. ENERGY: 237200 771.7708 2066.5905 1915.3787 120.0942 -206321.8232 17762.1287 0.0000 0.0000 34428.8275 -149257.0328 300.6755 -183685.8603 -149159.5053 300.0465 -167.1082 -134.6266 557023.9595 10.8508 10.9273 PRESSURE: 237400 -212.601 109.715 6.67415 109.714 87.0025 -267.977 6.67442 -267.977 -17.4798 GPRESSURE: 237400 -194.654 116.822 -6.98926 115.937 113.217 -252.156 16.9908 -337.909 31.7488 PRESSAVG: 237400 -61.6193 36.0225 -40.9466 36.0226 14.4647 -57.7435 -40.9467 -57.7436 23.7378 GPRESSAVG: 237400 -61.9342 35.9484 -40.9974 33.358 14.4418 -53.9047 -42.9667 -59.111 23.8089 TIMING: 237400 CPU: 708.888, 0.00298092/step Wall: 708.888, 0.00298092/step, 3.94359 hours remaining, 206.019531 MB of memory in use. ENERGY: 237400 758.6693 2031.4627 1943.0598 120.2241 -206138.6799 17708.0135 0.0000 0.0000 34283.0446 -149294.2059 299.4024 -183577.2505 -149193.4849 299.4189 -47.6927 -16.5628 555966.0869 -7.8056 -7.8945 PRESSURE: 237600 -419.475 1.49238 -13.0772 1.49146 145.018 -18.5533 -13.0782 -18.5537 170.997 GPRESSURE: 237600 -350.454 26.7455 -41.9541 16.0023 125.623 -39.7427 1.82374 -50.6407 213.991 PRESSAVG: 237600 -25.8756 13.6695 -21.8426 13.6695 66.6469 -91.2715 -21.8426 -91.2714 -40.4134 GPRESSAVG: 237600 -26.362 14.4481 -22.5563 15.8149 65.8764 -92.0814 -18.5466 -91.0601 -39.3043 TIMING: 237600 CPU: 709.484, 0.00298125/step Wall: 709.484, 0.00298125/step, 3.94387 hours remaining, 206.019531 MB of memory in use. ENERGY: 237600 764.1538 2048.0007 1946.2592 118.3133 -206116.2713 17877.0253 0.0000 0.0000 34033.3925 -149329.1265 297.2221 -183362.5191 -149237.1763 299.3530 -34.4866 -3.6134 557009.4521 0.1193 0.0700 PRESSURE: 237800 -50.3845 -59.2494 32.1746 -59.2487 -206.438 -50.0704 32.1751 -50.069 -15.0126 GPRESSURE: 237800 34.4494 -0.751425 65.9962 -131.035 -162.48 -100.804 42.2392 17.6531 -31.5734 PRESSAVG: 237800 -12.3569 -37.0437 10.8775 -37.0438 -15.8995 -10.3908 10.8775 -10.391 63.1572 GPRESSAVG: 237800 -11.7436 -37.1527 11 -36.831 -14.3906 -11.5838 9.27373 -12.1118 61.7913 TIMING: 237800 CPU: 710.081, 0.00298261/step Wall: 710.081, 0.00298261/step, 3.94549 hours remaining, 206.019531 MB of memory in use. ENERGY: 237800 707.6488 2101.6985 1935.1883 103.7715 -206103.9865 17595.7997 0.0000 0.0000 34368.8616 -149291.0182 300.1518 -183659.8798 -149195.1795 299.4037 -90.6118 -53.2014 557216.8328 11.6336 11.8857 PRESSURE: 238000 -224.892 -55.5 74.3613 -55.5 312.632 -135.251 74.3628 -135.251 168.134 GPRESSURE: 238000 -157.809 1.84828 123.058 -131.388 319.294 -117.768 65.5104 -147.841 194.068 PRESSAVG: 238000 15.2101 -56.471 44.6236 -56.471 6.63236 -21.6232 44.6236 -21.623 10.1015 GPRESSAVG: 238000 15.0788 -58.3282 44.4082 -56.6897 5.68352 -22.3165 46.4099 -20.1098 11.2279 TIMING: 238000 CPU: 710.678, 0.00298718/step Wall: 710.678, 0.00298718/step, 3.95138 hours remaining, 206.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 238000 739.6394 2081.0587 1945.2035 106.5969 -206429.6955 17994.1525 0.0000 0.0000 34371.0673 -149191.9773 300.1711 -183563.0446 -149092.6528 299.5323 85.2914 118.5175 556607.2545 10.6480 10.6634 PRESSURE: 238200 -309.057 -96.2388 -118.59 -96.2398 -157.4 160.207 -118.59 160.206 -325.177 GPRESSURE: 238200 -321.027 -103.026 -186.598 -79.3239 -126.941 60.2872 -123.753 146.952 -252.937 PRESSAVG: 238200 -51.2087 34.9068 -20.3388 34.9068 58.8001 -65.7538 -20.3388 -65.7538 33.1356 GPRESSAVG: 238200 -51.2941 35.6776 -19.1809 34.5197 59.3419 -66.3754 -21.8112 -66.1516 32.9207 TIMING: 238200 CPU: 711.267, 0.00294362/step Wall: 711.267, 0.00294362/step, 3.89359 hours remaining, 206.019531 MB of memory in use. ENERGY: 238200 749.7460 2123.5923 1957.8921 99.5969 -205911.8761 17498.4103 0.0000 0.0000 34382.0821 -149100.5564 300.2673 -183482.6385 -149004.0615 299.6523 -263.8780 -233.6350 558847.6564 13.5757 13.6561 PRESSURE: 238400 129.256 -33.7626 30.4471 -33.7613 -94.8901 -60.8154 30.4469 -60.8145 182.275 GPRESSURE: 238400 118.67 -60.5396 69.8743 13.3207 -65.2873 -109.06 113.232 -120.852 248.645 PRESSAVG: 238400 -5.40301 7.55218 12.1309 7.55221 -25.9436 -3.09385 12.1309 -3.09383 4.92381 GPRESSAVG: 238400 -5.69932 7.56087 11.7513 8.1389 -26.3064 -4.3078 12.6045 -2.05809 5.28537 TIMING: 238400 CPU: 711.862, 0.00297645/step Wall: 711.862, 0.00297645/step, 3.93686 hours remaining, 206.019531 MB of memory in use. ENERGY: 238400 730.4641 2090.4570 1977.4074 121.2763 -205969.8165 17884.2793 0.0000 0.0000 34179.8819 -148986.0505 298.5014 -183165.9323 -148890.6182 300.1177 72.2134 100.6759 558616.9524 -8.8076 -8.9068 PRESSURE: 238600 -410.295 -38.0655 99.119 -38.0655 35.1214 -136.114 99.1179 -136.115 165.875 GPRESSURE: 238600 -351.257 -42.7677 3.1556 15.197 36.6857 -167.686 200.255 -89.8574 188.628 PRESSAVG: 238600 11.9536 -70.8099 12.1963 -70.81 -33.7222 -72.6926 12.1962 -72.6926 43.3508 GPRESSAVG: 238600 11.4602 -71.8045 9.9912 -69.3186 -33.2673 -70.4121 12.7445 -74.0415 42.6526 TIMING: 238600 CPU: 712.452, 0.00295036/step Wall: 712.452, 0.00295036/step, 3.90219 hours remaining, 206.019531 MB of memory in use. ENERGY: 238600 708.2383 2114.3117 1926.1327 125.2895 -205995.0705 17673.5117 0.0000 0.0000 34446.0770 -149001.5095 300.8262 -183447.5865 -148900.9082 300.1304 -69.7660 -41.9809 559301.7090 7.1941 6.9485 PRESSURE: 238800 -103.882 27.3988 -178.435 27.3986 -59.3897 -259.534 -178.435 -259.535 -267.567 GPRESSURE: 238800 -87.4043 -1.76372 -174.66 36.6904 -18.5461 -249.923 -114.177 -221.819 -237.627 PRESSAVG: 238800 -10.2504 -35.5562 20.9245 -35.5562 -30.9296 -27.6295 20.9244 -27.6296 39.1692 GPRESSAVG: 238800 -10.4958 -34.111 21.9924 -36.8784 -31.3111 -27.6131 19.4862 -26.6952 39.6014 TIMING: 238800 CPU: 713.052, 0.00299804/step Wall: 713.052, 0.00299804/step, 3.96507 hours remaining, 206.019531 MB of memory in use. ENERGY: 238800 734.5948 2161.1060 1945.4111 109.2482 -205881.8284 17654.5751 0.0000 0.0000 34136.1789 -149140.7143 298.1197 -183276.8932 -149041.5866 299.5582 -143.6129 -114.5257 559947.9347 -0.6702 -0.7352 PRESSURE: 239000 34.0706 141.477 -33.6355 141.475 195.064 20.3888 -33.6352 20.3878 -13.83 GPRESSURE: 239000 40.4445 65.7661 -10.2929 202.955 246.322 -43.0528 -52.637 78.702 27.1794 PRESSAVG: 239000 -17.6384 36.3079 13.7727 36.3079 22.158 -4.87982 13.7726 -4.87971 -45.3343 GPRESSAVG: 239000 -16.9111 35.8249 14.6746 37.1224 21.8435 -6.79538 14.243 -3.19887 -45.8182 TIMING: 239000 CPU: 713.653, 0.00300803/step Wall: 713.653, 0.00300803/step, 3.97811 hours remaining, 206.019531 MB of memory in use. ENERGY: 239000 763.6040 2135.4220 1942.4913 105.2487 -206347.8901 18034.2682 0.0000 0.0000 34202.8183 -149164.0377 298.7017 -183366.8560 -149068.1899 299.6632 71.7682 104.6486 558735.0836 -13.6049 -13.6286 PRESSURE: 239200 -56.8846 88.455 -84.3749 88.4549 40.9316 34.5847 -84.3749 34.5844 -87.3804 GPRESSURE: 239200 -32.6465 104.855 -51.9036 43.011 59.8326 63.3615 -235.849 2.11663 -41.5161 PRESSAVG: 239200 23.3673 3.98706 -39.6436 3.98708 24.6115 -12.2164 -39.6435 -12.2164 3.66731 GPRESSAVG: 239200 23.2376 4.92946 -40.5618 2.57959 24.3737 -12.7014 -39.8639 -12.4251 3.55042 TIMING: 239200 CPU: 714.253, 0.00299712/step Wall: 714.253, 0.00299712/step, 3.96352 hours remaining, 206.019531 MB of memory in use. ENERGY: 239200 741.9153 2116.5830 1931.9925 114.0335 -206419.1089 17785.5752 0.0000 0.0000 34391.7656 -149337.2439 300.3518 -183729.0095 -149238.3201 299.8218 -34.4445 -4.7767 558618.0957 17.2154 17.0539 PRESSURE: 239400 164.156 -87.0975 -17.5357 -87.0979 -176.447 -80.2526 -17.5359 -80.2532 -271.579 GPRESSURE: 239400 124.11 -41.4155 -95.1902 -122.409 -84.7215 -88.3213 33.5981 -113.194 -215.177 PRESSAVG: 239400 -14.5487 -35.444 35.085 -35.4438 12.1882 -15.7528 35.0851 -15.7529 -38.8434 GPRESSAVG: 239400 -15.3429 -38.0266 36.0944 -34.2916 12.8578 -12.8664 34.2866 -18.0046 -38.5732 TIMING: 239400 CPU: 714.849, 0.00297914/step Wall: 714.849, 0.00297914/step, 3.93958 hours remaining, 206.019531 MB of memory in use. ENERGY: 239400 726.6001 2106.3582 1929.0725 125.4497 -205911.4637 17598.5395 0.0000 0.0000 33839.6141 -149585.8297 295.5298 -183425.4438 -149492.7986 299.2360 -94.6233 -58.5960 558554.2951 -13.7346 -13.6861 PRESSURE: 239600 10.1305 -11.6992 9.42313 -11.6975 10.5866 83.6316 9.42382 83.631 -115.524 GPRESSURE: 239600 32.9544 -60.2886 85.2195 -57.9518 74.8915 65.361 7.8393 59.9471 -103.621 PRESSAVG: 239600 29.1179 -59.0505 18.9748 -59.0505 -61.8897 15.9949 18.9749 15.9948 90.467 GPRESSAVG: 239600 28.6137 -55.7801 15.7224 -59.5283 -61.7955 15.5143 21.0973 15.6302 90.3171 TIMING: 239600 CPU: 715.444, 0.00297872/step Wall: 715.444, 0.00297872/step, 3.93886 hours remaining, 206.019531 MB of memory in use. ENERGY: 239600 735.2417 2141.2768 1925.9954 113.5228 -206686.9891 17870.1583 0.0000 0.0000 34167.6736 -149733.1206 298.3948 -183900.7942 -149630.7486 298.6070 -31.6023 1.4084 556873.3681 19.2317 19.0451 PRESSURE: 239800 -77.6303 -75.9843 -256.468 -75.9846 87.7727 32.7611 -256.467 32.7625 173.864 GPRESSURE: 239800 -89.0877 -78.0846 -250.657 -76.701 123.183 125.496 -251.247 -58.1169 235.081 PRESSAVG: 239800 -74.3627 21.8737 -59.8721 21.8737 48.511 25.6498 -59.8722 25.6498 -5.78917 GPRESSAVG: 239800 -73.7592 21.106 -57.2886 22.5514 48.625 26.6655 -60.4538 26.7814 -5.71001 TIMING: 239800 CPU: 716.037, 0.00296351/step Wall: 716.037, 0.00296351/step, 3.91859 hours remaining, 206.019531 MB of memory in use. ENERGY: 239800 744.5771 2083.3770 1954.8525 109.9680 -206571.4649 17927.7785 0.0000 0.0000 34145.2212 -149605.6906 298.1987 -183750.9118 -149504.2150 299.0427 61.3356 89.7253 556524.0929 -10.5469 -10.2814 PRESSURE: 240000 -268.908 -133.455 52.7297 -133.454 -75.869 88.3242 52.7302 88.3242 -111.593 GPRESSURE: 240000 -223.05 -155.283 46.4884 -174.817 -50.2908 114.581 74.1096 82.4321 -87.4445 PRESSAVG: 240000 2.76284 -26.6714 -24.7855 -26.6714 17.4134 13.5777 -24.7856 13.5777 15.224 GPRESSAVG: 240000 2.43697 -27.8178 -26.6081 -26.7098 18.8753 11.755 -24.7819 13.5653 14.3658 TIMING: 240000 CPU: 716.627, 0.00294861/step Wall: 716.627, 0.00294861/step, 3.89872 hours remaining, 206.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 240000 728.8642 2069.9924 1933.5272 111.8523 -206415.9877 17714.0442 0.0000 0.0000 34258.9238 -149598.7837 299.1917 -183857.7074 -149501.1786 298.4743 -152.1232 -120.2616 557361.1381 11.8001 11.8927 PRESSURE: 240200 -65.9301 11.9466 -252.582 11.9463 8.74379 121.283 -252.581 121.282 197.607 GPRESSURE: 240200 41.7128 -14.084 -291.827 13.8063 26.4341 82.5349 -238.571 112.465 165.916 PRESSAVG: 240200 -36.2799 -2.52159 -12.4302 -2.52146 0.374139 21.5882 -12.4302 21.5882 -20.63 GPRESSAVG: 240200 -36.3546 -2.56142 -13.4038 -2.49039 -1.0159 24.3013 -13.1821 20.3336 -19.6406 TIMING: 240200 CPU: 717.221, 0.00296949/step Wall: 717.221, 0.00296949/step, 3.92616 hours remaining, 206.019531 MB of memory in use. ENERGY: 240200 721.2635 2101.7898 1949.9002 109.7946 -206350.1186 17896.4737 0.0000 0.0000 34041.2571 -149529.6396 297.2908 -183570.8967 -149433.9327 298.3953 46.8068 78.0209 556456.1618 -18.8453 -19.0037 LDB: ============= START OF LOAD BALANCING ============== 720.769 LDB: ============== END OF LOAD BALANCING =============== 720.769 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 720.771 LDB: ============= START OF LOAD BALANCING ============== 721.077 LDB: Largest compute 4773 load 0.028680 is 24.3% of average load 0.117987 LDB: Average compute 0.001732 is 1.5% of average load 0.117987 LDB: TIME 721.079 LOAD: AVG 0.117987 MAX 0.209122 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.285 MB LDB: TIME 721.08 LOAD: AVG 0.117987 MAX 0.209122 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.348 MB LDB: TIME 721.08 LOAD: AVG 0.117987 MAX 0.209122 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.348 MB LDB: ============== END OF LOAD BALANCING =============== 721.082 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 721.086 PRESSURE: 240400 -94.8664 -77.7265 6.33811 -77.7262 -117.128 -78.4282 6.33928 -78.4288 -263.839 GPRESSURE: 240400 -67.6741 -68.2062 22.4117 -56.2594 -90.3988 -77.5377 -30.3927 -91.5473 -222.426 PRESSAVG: 240400 3.91782 -16.4855 -12.6016 -16.4855 3.68875 65.0122 -12.6016 65.0121 7.02569 GPRESSAVG: 240400 2.61967 -16.0027 -8.74819 -15.4689 3.33891 65.4844 -13.2667 63.7872 8.92776 TIMING: 240400 CPU: 717.836, 0.00307853/step Wall: 717.836, 0.00307853/step, 4.07015 hours remaining, 206.332031 MB of memory in use. ENERGY: 240400 746.8945 2140.7625 1928.2846 121.7692 -206370.0776 17757.1252 0.0000 0.0000 34017.1231 -149658.1184 297.0800 -183675.2415 -149565.6437 297.5019 -158.6113 -126.8331 558485.6349 4.8774 4.9621 PRESSURE: 240600 -377.934 -12.6084 64.3849 -12.6085 -120.228 54.2534 64.3862 54.2533 -290.188 GPRESSURE: 240600 -368.106 42.9225 35.2562 -45.4948 -71.88 14.8512 29.3951 -8.40132 -240.429 PRESSAVG: 240600 -14.1882 -4.28083 -32.7335 -4.28082 -8.18387 20.8259 -32.7335 20.826 23.562 GPRESSAVG: 240600 -12.4894 -3.32636 -33.1753 -5.17437 -7.58824 18.8848 -32.5081 23.0723 22.0903 TIMING: 240600 CPU: 718.443, 0.00303462/step Wall: 718.443, 0.00303462/step, 4.01193 hours remaining, 206.535156 MB of memory in use. ENERGY: 240600 800.3952 2131.6249 1936.8270 122.8421 -206465.4686 17653.4492 0.0000 0.0000 34347.9046 -149472.4256 299.9688 -183820.3302 -149379.2776 298.7698 -262.7835 -226.8052 558474.3560 0.3967 0.6709 PRESSURE: 240800 -28.6604 -41.742 -34.6642 -41.7417 46.9482 21.6443 -34.6656 21.645 -27.7715 GPRESSURE: 240800 7.31872 -63.2035 -31.6499 -29.4753 128.525 58.4034 -100.188 10.5803 -32.5962 PRESSAVG: 240800 10.7118 -50.5368 10.8598 -50.5367 -7.46887 20.5042 10.8598 20.5042 -60.3903 GPRESSAVG: 240800 10.5072 -52.235 12.1195 -50.6698 -6.84673 19.3004 10.2944 19.5233 -60.4373 TIMING: 240800 CPU: 719.046, 0.00301151/step Wall: 719.046, 0.00301151/step, 3.98122 hours remaining, 206.535156 MB of memory in use. ENERGY: 240800 741.2748 2131.3341 1933.1679 124.8751 -206647.2735 17915.4724 0.0000 0.0000 34235.2239 -149565.9253 298.9847 -183801.1492 -149470.4032 297.9806 -3.1613 34.4158 557180.3941 -19.0491 -18.9256 PRESSURE: 241000 -66.5521 120.498 124.836 120.499 -99.6807 -58.6236 124.836 -58.6252 -114.336 GPRESSURE: 241000 -14.9278 188.678 143.088 68.35 -116.874 -108.165 14.8286 -83.7637 -48.2215 PRESSAVG: 241000 17.2004 33.5583 64.2366 33.5583 32.348 6.995 64.2366 6.99499 -37.9301 GPRESSAVG: 241000 17.9128 34.5637 64.7605 31.6852 31.6061 8.82796 64.8441 9.21084 -37.4618 TIMING: 241000 CPU: 719.653, 0.00303437/step Wall: 719.653, 0.00303438/step, 4.01128 hours remaining, 206.535156 MB of memory in use. ENERGY: 241000 774.7180 2109.9301 1934.4834 113.4731 -206713.6405 18071.3282 0.0000 0.0000 34154.8979 -149554.8099 298.2832 -183709.7078 -149456.3333 298.0221 -93.5229 -60.0079 557875.2925 3.8727 4.0190 PRESSURE: 241200 136.724 46.7312 9.74106 46.7311 204.666 77.8101 9.74134 77.8099 277.75 GPRESSURE: 241200 131.683 75.1535 -96.0083 86.7178 253.36 119.017 71.3137 91.3609 317.568 PRESSAVG: 241200 3.15415 37.022 22.0866 37.022 36.2212 17.4121 22.0866 17.412 -33.4984 GPRESSAVG: 241200 3.74609 36.6927 18.8553 41.0061 35.6308 17.8134 22.1928 16.9452 -33.3078 TIMING: 241200 CPU: 720.26, 0.00303923/step Wall: 720.26, 0.00303923/step, 4.01753 hours remaining, 206.535156 MB of memory in use. ENERGY: 241200 762.0752 2053.6764 1940.1679 120.7314 -206615.7337 18126.5542 0.0000 0.0000 34233.7109 -149378.8177 298.9715 -183612.5286 -149282.5771 299.0681 206.3799 234.2038 557800.4974 1.9590 2.0230 PRESSURE: 241400 -94.0182 81.4192 154.066 81.42 -23.4837 -19.1152 154.066 -19.116 -148.033 GPRESSURE: 241400 -74.5275 27.6129 182.902 52.9306 3.0923 -106.41 179.308 10.5498 -106.514 PRESSAVG: 241400 -1.78838 25.0062 -6.29768 25.0062 -10.5106 -9.63621 -6.29757 -9.63628 18.62 GPRESSAVG: 241400 -3.14968 24.2707 -5.95014 23.0627 -8.7661 -10.1969 -5.73266 -11.262 18.2084 TIMING: 241400 CPU: 720.861, 0.00300203/step Wall: 720.861, 0.00300203/step, 3.96818 hours remaining, 206.535156 MB of memory in use. ENERGY: 241400 748.4671 2086.0517 1926.1635 120.9742 -206224.1705 17691.5756 0.0000 0.0000 34340.0042 -149310.9342 299.8998 -183650.9384 -149207.9175 299.2768 -88.5116 -59.3164 557713.2645 2.1070 2.0975 PRESSURE: 241600 -286.95 -92.0847 117.621 -92.0874 -254.724 12.4386 117.622 12.439 -60.5396 GPRESSURE: 241600 -236.125 -92.3002 169.071 -65.2286 -251.038 73.9424 97.9628 0.485157 -3.97715 PRESSAVG: 241600 -77.7072 -6.91919 -45.444 -6.9192 -11.1109 16.8017 -45.444 16.8018 79.1293 GPRESSAVG: 241600 -77.2675 -6.64246 -44.6939 -5.55901 -11.0099 17.3506 -46.8285 15.9978 78.7502 TIMING: 241600 CPU: 721.46, 0.00299449/step Wall: 721.46, 0.00299449/step, 3.95805 hours remaining, 206.535156 MB of memory in use. ENERGY: 241600 742.9745 2120.0175 1921.8964 120.4615 -206308.9053 17781.2635 0.0000 0.0000 34199.8553 -149422.4366 298.6758 -183622.2920 -149322.6183 298.9696 -200.7376 -163.7134 558950.8582 -3.2296 -3.1757 PRESSURE: 241800 -326.787 42.1263 -77.2313 42.126 -146.043 -114.57 -77.2322 -114.572 105.47 GPRESSURE: 241800 -282.751 6.58079 -78.7019 61.5305 -115.469 -183.339 -120.444 -122.226 124.418 PRESSAVG: 241800 14.2452 9.47873 4.50648 9.47865 -48.9959 -39.1638 4.5065 -39.1639 31.6042 GPRESSAVG: 241800 13.8816 7.29753 4.75451 9.45625 -48.1564 -38.4871 4.25351 -38.9121 31.2595 TIMING: 241800 CPU: 722.057, 0.00298788/step Wall: 722.057, 0.00298788/step, 3.94914 hours remaining, 206.535156 MB of memory in use. ENERGY: 241800 768.3546 2093.2153 1970.9272 95.6646 -206387.7725 17910.9652 0.0000 0.0000 34171.5338 -149377.1119 298.4285 -183548.6456 -149278.7751 299.1523 -122.4532 -91.2672 557720.3280 -1.0489 -1.0051 PRESSURE: 242000 -494.946 86.5042 -74.5147 86.5029 -193.551 17.9157 -74.5142 17.9146 -171.215 GPRESSURE: 242000 -427.338 155.135 -51.8894 18.1495 -145.984 86.9392 -72.0506 4.9976 -199.199 PRESSAVG: 242000 -15.6638 26.6109 -7.48327 26.6109 10.9186 -47.2866 -7.48319 -47.2867 32.4196 GPRESSAVG: 242000 -16.9069 31.4697 -7.44066 24.0978 11.5462 -46.256 -7.30747 -45.2221 32.842 TIMING: 242000 CPU: 722.653, 0.00297662/step Wall: 722.653, 0.00297662/step, 3.9341 hours remaining, 206.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 242000 756.4309 2083.6691 1947.3553 117.0497 -205565.7310 17353.4108 0.0000 0.0000 34008.4689 -149299.3463 297.0044 -183307.8152 -149202.9126 298.8969 -286.5709 -257.5070 559017.2085 9.2248 9.1604 PRESSURE: 242200 -263.867 193.9 -42.6611 193.899 -226.057 -26.2951 -42.662 -26.297 -2.64391 GPRESSURE: 242200 -207.599 168.478 85.0103 172.854 -195.306 -6.63634 -108.362 -84.2641 8.50244 PRESSAVG: 242200 -4.88987 32.442 29.7983 32.442 28.4332 37.0711 29.7983 37.071 -29.6554 GPRESSAVG: 242200 -4.5338 31.5725 29.4724 33.3816 28.3836 35.9171 31.5688 36.6996 -29.7289 TIMING: 242200 CPU: 723.246, 0.00296857/step Wall: 723.246, 0.00296857/step, 3.9233 hours remaining, 206.535156 MB of memory in use. ENERGY: 242200 759.5569 2071.9494 1923.0848 110.0723 -206214.9140 17673.9188 0.0000 0.0000 34313.3549 -149362.9770 299.6671 -183676.3320 -149262.8732 299.2423 -164.1894 -131.4673 557531.1778 -2.0374 -1.9597 PRESSURE: 242400 135.618 91.3553 64.9576 91.3558 66.1126 82.9731 64.9587 82.9729 65.5813 GPRESSURE: 242400 193.067 78.0654 56.6126 75.9872 63.2764 -32.2259 92.0306 129.503 104.186 PRESSAVG: 242400 73.5786 -41.3993 37.1896 -41.3993 4.21221 20.1213 37.1896 20.1214 -77.9957 GPRESSAVG: 242400 73.2696 -41.9022 37.5196 -41.1753 3.2904 17.2417 35.4751 23.1077 -77.0816 TIMING: 242400 CPU: 723.846, 0.00299867/step Wall: 723.846, 0.00299867/step, 3.9629 hours remaining, 206.535156 MB of memory in use. ENERGY: 242400 749.8544 2080.4797 1926.8035 102.8951 -206376.6517 17838.5325 0.0000 0.0000 34258.0299 -149420.0566 299.1839 -183678.0865 -149334.9268 298.8836 89.1040 120.1763 556430.3320 -0.0683 -0.1739 PRESSURE: 242600 -202.587 -123.283 -31.9303 -123.282 -294.336 -22.7245 -31.9319 -22.7227 -406.371 GPRESSURE: 242600 -183.545 -193.733 -4.44206 -138.143 -254.672 -54.2007 -65.0408 5.04539 -367.527 PRESSAVG: 242600 -2.91464 -13.6512 -28.0847 -13.6511 -12.2556 31.3708 -28.0847 31.3708 -38.3397 GPRESSAVG: 242600 -1.88859 -14.3021 -26.9152 -11.3498 -12.89 32.9853 -26.8079 28.8811 -39.0117 TIMING: 242600 CPU: 724.443, 0.00298491/step Wall: 724.443, 0.00298491/step, 3.94456 hours remaining, 206.535156 MB of memory in use. ENERGY: 242600 762.7035 2112.1175 1945.1535 114.0687 -205793.6419 17374.9325 0.0000 0.0000 34238.5338 -149246.1323 299.0136 -183484.6661 -149148.4956 299.3014 -301.0979 -268.5814 558266.0150 -17.8367 -17.9301 PRESSURE: 242800 -129.72 -23.7368 20.8473 -23.7365 -185.6 22.0057 20.846 22.0074 -152.198 GPRESSURE: 242800 -92.7646 -29.2211 27.5274 -37.7538 -132.708 52.8907 13.6673 29.8809 -144.166 PRESSAVG: 242800 59.2288 -16.9186 -9.33827 -16.9187 -66.0186 -3.59407 -9.33826 -3.59408 2.2156 GPRESSAVG: 242800 58.8485 -17.6741 -9.73957 -18.3124 -65.015 -2.48545 -9.53519 -4.37628 0.985663 TIMING: 242800 CPU: 725.045, 0.00300827/step Wall: 725.045, 0.00300827/step, 3.97526 hours remaining, 206.535156 MB of memory in use. ENERGY: 242800 746.5620 2108.7118 1944.2458 110.9458 -205940.0443 17605.6868 0.0000 0.0000 34284.7598 -149139.1323 299.4173 -183423.8921 -149052.6670 299.5024 -155.8395 -123.2129 557573.8009 -1.5248 -1.7269 PRESSURE: 243000 -41.7264 150.057 -81.9871 150.057 -148.539 -67.1337 -81.9879 -67.1326 -34.6444 GPRESSURE: 243000 -8.96336 94.5506 -56.0083 116.716 -90.3423 -119.102 -81.3618 33.1425 -30.9516 PRESSAVG: 243000 42.5049 12.2105 4.45928 12.2106 4.45877 15.8467 4.45919 15.8466 -22.5427 GPRESSAVG: 243000 41.2201 13.8992 2.58665 12.229 4.92374 15.3416 4.4566 16.5934 -21.4472 TIMING: 243000 CPU: 725.651, 0.00303258/step Wall: 725.651, 0.00303258/step, 4.00722 hours remaining, 206.535156 MB of memory in use. ENERGY: 243000 747.8987 2083.1219 1932.7626 105.8960 -206055.7246 17763.7087 0.0000 0.0000 34278.6813 -149143.6553 299.3642 -183422.3366 -149045.8406 299.5513 -74.9700 -43.4191 556593.1605 8.1403 8.2322 PRESSURE: 243200 258.231 -99.5535 111.636 -99.5533 -90.1431 -77.0228 111.636 -77.023 60.9639 GPRESSURE: 243200 256.531 -44.3033 165.06 -155.711 17.8328 -94.117 117.982 -80.2412 52.7803 PRESSAVG: 243200 37.4196 23.2713 28.1123 23.2712 -13.5947 -48.3715 28.1122 -48.3715 23.1004 GPRESSAVG: 243200 38.1674 20.7962 31.0794 22.6656 -14.6255 -48.145 25.8806 -48.2686 23.6715 TIMING: 243200 CPU: 726.251, 0.00299639/step Wall: 726.251, 0.00299639/step, 3.95923 hours remaining, 206.535156 MB of memory in use. ENERGY: 243200 764.3235 2072.5383 1926.9177 115.5114 -206283.7024 17869.7385 0.0000 0.0000 34208.5196 -149326.1534 298.7515 -183534.6730 -149228.8969 299.3172 76.3505 109.0481 556594.5865 15.6418 15.7378 PRESSURE: 243400 -121.109 -1.17856 -23.2316 -1.17816 -16.8334 -36.1507 -23.2295 -36.1508 78.3694 GPRESSURE: 243400 -124.654 3.13736 -34.9975 -79.0429 -7.6253 -63.4867 -10.8486 5.56964 160.73 PRESSAVG: 243400 117.614 7.03004 28.4956 7.03004 -90.411 3.23957 28.4955 3.23946 -33.1406 GPRESSAVG: 243400 116.586 6.94418 24.8788 5.49654 -88.6653 3.96453 31.0597 4.0896 -34.8543 TIMING: 243400 CPU: 726.849, 0.00299221/step Wall: 726.849, 0.00299221/step, 3.95354 hours remaining, 206.535156 MB of memory in use. ENERGY: 243400 754.1132 2114.7197 1946.8024 108.6602 -206203.1188 17654.4632 0.0000 0.0000 34342.3919 -149281.9683 299.9206 -183624.3602 -149187.3590 299.0496 -19.8578 9.4836 557354.6680 -1.9793 -2.3113 PRESSURE: 243600 -190.352 -112.176 -11.3615 -112.176 30.6836 -144.514 -11.3608 -144.514 47.8008 GPRESSURE: 243600 -213.021 -88.4793 -46.9042 -119.538 64.8695 -141.998 -23.7054 -194.741 139.495 PRESSAVG: 243600 2.93962 8.6589 27.3683 8.65879 -45.8257 -54.8179 27.3682 -54.8179 27.523 GPRESSAVG: 243600 2.68113 9.45734 27.4909 8.7351 -46.9093 -56.1295 28.0832 -54.7824 28.964 TIMING: 243600 CPU: 727.44, 0.00295664/step Wall: 727.44, 0.00295664/step, 3.90638 hours remaining, 206.535156 MB of memory in use. ENERGY: 243600 725.4591 2093.5911 1917.9778 108.4232 -206117.7418 17680.8483 0.0000 0.0000 34355.9612 -149235.4811 300.0392 -183591.4423 -149139.8241 299.2063 -37.2891 -2.8854 557116.1144 -5.1210 -5.0880 PRESSURE: 243800 34.6316 -104.466 -160.066 -104.466 166.72 54.5884 -160.067 54.5873 5.71453 GPRESSURE: 243800 77.1415 -83.3073 -128.546 -127.889 177.783 25.5428 -94.9367 157.655 46.9183 PRESSAVG: 243800 -26.5378 88.3368 22.0929 88.3367 6.14673 -60.283 22.093 -60.283 38.2508 GPRESSAVG: 243800 -25.3233 87.5471 24.5366 90.0843 5.28854 -59.0782 21.2766 -59.0975 37.785 TIMING: 243800 CPU: 728.03, 0.00294989/step Wall: 728.03, 0.00294989/step, 3.8973 hours remaining, 206.535156 MB of memory in use. ENERGY: 243800 755.2450 2061.5067 1926.8286 115.1994 -206219.0250 17966.2190 0.0000 0.0000 34210.7835 -149183.2429 298.7713 -183394.0263 -149082.6191 299.4839 69.0221 100.6143 558012.3034 5.9532 5.9168 PRESSURE: 244000 105.111 -4.40353 -12.7989 -4.40392 64.2032 24.0569 -12.7983 24.0568 -143.986 GPRESSURE: 244000 139.633 -62.9633 -40.4226 34.0125 77.1236 -9.92788 2.32418 58.2598 -97.6844 PRESSAVG: 244000 -23.3486 41.8401 -12.0791 41.8401 -25.3276 0.404393 -12.079 0.404381 26.6126 GPRESSAVG: 244000 -23.8073 41.9633 -12.0948 41.4435 -25.1863 1.11097 -11.7286 -3.2772 26.9656 TIMING: 244000 CPU: 728.624, 0.00296758/step Wall: 728.624, 0.00296758/step, 3.9205 hours remaining, 206.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 244000 753.4793 2074.9718 1934.2119 102.6277 -206128.3056 17854.6539 0.0000 0.0000 34220.1936 -149188.1673 298.8535 -183408.3609 -149091.7400 299.5708 8.4425 39.6908 557344.6920 -7.3545 -7.3427 PRESSURE: 244200 -267.387 41.3286 -4.70247 41.3275 -141.871 -186.817 -4.70161 -186.816 10.5712 GPRESSURE: 244200 -258.312 69.8212 -23.8162 -24.6449 -110.045 -271.62 35.9108 -140.553 61.6963 PRESSAVG: 244200 48.887 20.4567 -10.703 20.4568 -47.0462 -24.2648 -10.703 -24.2647 24.175 GPRESSAVG: 244200 48.5058 21.7891 -11.0846 18.8908 -46.8039 -25.699 -12.3693 -21.9696 24.0198 TIMING: 244200 CPU: 729.216, 0.00296114/step Wall: 729.216, 0.00296114/step, 3.91183 hours remaining, 206.535156 MB of memory in use. ENERGY: 244200 735.0285 2054.3868 1938.5672 116.5950 -205685.2896 17518.1171 0.0000 0.0000 34179.2682 -149143.3269 298.4960 -183322.5950 -149046.7495 299.0930 -132.8954 -102.2203 558456.4056 8.6719 8.5739 LDB: ============= START OF LOAD BALANCING ============== 732.766 LDB: ============== END OF LOAD BALANCING =============== 732.766 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 732.768 LDB: ============= START OF LOAD BALANCING ============== 733.064 LDB: Largest compute 4796 load 0.027757 is 23.5% of average load 0.117967 LDB: Average compute 0.001740 is 1.5% of average load 0.117967 LDB: TIME 733.066 LOAD: AVG 0.117967 MAX 0.203746 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.102 MB LDB: TIME 733.067 LOAD: AVG 0.117967 MAX 0.203746 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.301 MB LDB: TIME 733.067 LOAD: AVG 0.117967 MAX 0.203746 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 733.069 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 733.073 PRESSURE: 244400 18.4614 -40.8428 -112.935 -40.844 -113.971 -22.7149 -112.935 -22.7155 -147.248 GPRESSURE: 244400 -2.37556 -114.071 -40.2824 -8.89021 -74.2778 -49.9819 -114.426 -58.1515 -60.0919 PRESSAVG: 244400 -68.0317 22.5757 34.499 22.5756 -48.5224 -20.5395 34.499 -20.5396 79.159 GPRESSAVG: 244400 -67.0097 21.2467 35.5763 22.5601 -48.1924 -18.1228 34.2065 -21.8286 78.2443 TIMING: 244400 CPU: 729.823, 0.00303307/step Wall: 729.823, 0.00303307/step, 4.00669 hours remaining, 205.878906 MB of memory in use. ENERGY: 244400 706.8060 2052.0296 1926.4323 104.7653 -206040.5575 17609.8528 0.0000 0.0000 34423.3109 -149217.3606 300.6273 -183640.6715 -149120.7713 298.8334 -80.9193 -45.5818 558223.3605 -12.4651 -12.3192 PRESSURE: 244600 85.7469 117.029 133.437 117.029 -183.058 9.03991 133.437 9.0413 -330.55 GPRESSURE: 244600 67.4307 -30.7927 149.166 81.1804 -113.662 21.9788 125.022 -13.3757 -295.704 PRESSAVG: 244600 -55.958 -18.4975 -10.3166 -18.4975 47.4706 -41.3894 -10.3167 -41.3894 23.7124 GPRESSAVG: 244600 -56.604 -15.918 -9.74705 -18.2131 45.763 -44.425 -8.45767 -40.1297 25.8228 TIMING: 244600 CPU: 730.418, 0.00297621/step Wall: 730.418, 0.00297621/step, 3.93141 hours remaining, 205.878906 MB of memory in use. ENERGY: 244600 734.1744 2027.8579 1930.6041 105.3783 -206226.0134 17670.0273 0.0000 0.0000 34551.5009 -149206.4705 301.7469 -183757.9714 -149108.6017 299.6188 -142.6206 -113.9783 557240.7806 5.0750 4.9940 PRESSURE: 244800 70.9406 -129.895 59.9671 -129.896 185.244 1.16427 59.9671 1.16359 -114.482 GPRESSURE: 244800 136.049 -219.492 10.0344 -112.83 177.063 6.38737 79.7945 34.4664 -74.7247 PRESSAVG: 244800 27.5637 -47.3261 -25.7856 -47.3261 53.4333 -9.26385 -25.7856 -9.26381 -35.803 GPRESSAVG: 244800 27.5588 -48.2975 -26.5717 -46.1147 55.2618 -6.39345 -26.9551 -9.46328 -37.4086 TIMING: 244800 CPU: 731.021, 0.00301758/step Wall: 731.021, 0.00301758/step, 3.98588 hours remaining, 205.878906 MB of memory in use. ENERGY: 244800 746.1537 2086.1225 1887.2890 98.3950 -206370.3478 17904.3504 0.0000 0.0000 34519.3831 -149128.6541 301.4664 -183648.0372 -149033.9629 299.7101 47.2341 79.4625 557793.7625 15.0647 15.1373 PRESSURE: 245000 -83.9127 -65.9448 -18.0558 -65.946 -164.229 67.4239 -18.0536 67.4226 33.9862 GPRESSURE: 245000 -1.4865 -67.1069 -23.7013 -69.6918 -147.909 118.703 -99.3107 -17.5261 41.2086 PRESSAVG: 245000 49.0409 -35.6736 -2.49989 -35.6736 -45.7188 -62.2893 -2.49978 -62.2893 36.5945 GPRESSAVG: 245000 49.9604 -34.5518 -4.23511 -38.7847 -46.2192 -60.9624 -1.4204 -63.3839 36.8018 TIMING: 245000 CPU: 731.616, 0.002973/step Wall: 731.616, 0.002973/step, 3.92684 hours remaining, 205.878906 MB of memory in use. ENERGY: 245000 726.8645 2088.6855 1958.5721 105.6719 -206235.3749 17848.3532 0.0000 0.0000 34275.5266 -149231.7012 299.3367 -183507.2277 -149135.3066 299.6939 -71.3850 -36.0622 557228.8122 13.3055 13.5143 PRESSURE: 245200 341.876 -56.1473 124.987 -56.1474 -32.711 24.8542 124.986 24.854 118.599 GPRESSURE: 245200 296.391 -57.8416 42.1819 5.84251 45.4081 -24.8172 197.787 -52.3864 187.086 PRESSAVG: 245200 35.2558 -1.24425 -8.71194 -1.24424 -34.1643 -81.6871 -8.71192 -81.6872 -0.984366 GPRESSAVG: 245200 34.568 -2.96124 -7.21438 1.57199 -34.3733 -83.258 -9.77797 -81.0034 -0.285003 TIMING: 245200 CPU: 732.213, 0.00298688/step Wall: 732.213, 0.00298688/step, 3.945 hours remaining, 205.878906 MB of memory in use. ENERGY: 245200 728.8435 2118.2944 1933.1251 116.7927 -206433.5145 18041.6971 0.0000 0.0000 34363.7666 -149130.9951 300.1073 -183494.7617 -149031.3847 299.1101 142.5879 176.2949 556479.1967 0.0357 -0.0301 PRESSURE: 245400 67.7928 -108.813 119.483 -108.813 178.878 115.264 119.482 115.263 242.554 GPRESSURE: 245400 101.102 -36.5176 102.248 -198.432 205.532 105.754 78.2281 129.552 272.824 PRESSAVG: 245400 -34.1484 -44.6814 -8.7064 -44.6814 30.5116 -25.9848 -8.70645 -25.9848 49.5 GPRESSAVG: 245400 -33.1487 -46.5855 -9.5532 -45.0616 30.526 -28.4511 -6.98876 -24.3666 48.3287 TIMING: 245400 CPU: 732.809, 0.00297759/step Wall: 732.809, 0.00297759/step, 3.93257 hours remaining, 205.878906 MB of memory in use. ENERGY: 245400 734.1346 2080.6771 1900.3392 114.1927 -206558.0569 18164.5067 0.0000 0.0000 34406.5431 -149157.6637 300.4809 -183564.2067 -149057.8460 299.8674 163.0752 193.1529 555968.0719 15.2878 15.2353 PRESSURE: 245600 85.5466 88.7253 45.8404 88.7258 -172.294 -151.192 45.8405 -151.191 150.868 GPRESSURE: 245600 46.5737 90.7531 3.89788 136.471 -65.2474 -131.792 140.943 -119.341 165.035 PRESSAVG: 245600 -26.1396 -11.3699 -13.7345 -11.3699 -19.8541 -17.4521 -13.7344 -17.4521 46.0651 GPRESSAVG: 245600 -27.1172 -11.6365 -11.1536 -10.7939 -18.8064 -15.533 -15.0303 -18.4636 46.4561 TIMING: 245600 CPU: 733.401, 0.00295899/step Wall: 733.401, 0.00295899/step, 3.90785 hours remaining, 205.878906 MB of memory in use. ENERGY: 245600 717.1466 2082.5349 1903.7331 132.2818 -206350.9898 17981.3790 0.0000 0.0000 34216.4652 -149317.4493 298.8209 -183533.9145 -149225.8685 298.4939 21.3737 48.7871 558184.1248 0.0238 0.1775 PRESSURE: 245800 -126.979 83.8816 313.345 83.8827 -220.489 -166.365 313.345 -166.366 -168.429 GPRESSURE: 245800 -115.211 75.1781 284.831 58.588 -158.419 -138.55 272.049 -179.737 -149.293 PRESSAVG: 245800 -64.8578 7.86695 40.3404 7.86708 -17.1023 -5.56142 40.3404 -5.56145 27.6775 GPRESSAVG: 245800 -63.324 8.55117 38.9174 8.2216 -18.7895 -5.51105 39.319 -6.96269 27.4 TIMING: 245800 CPU: 733.999, 0.00298994/step Wall: 733.999, 0.00298994/step, 3.94855 hours remaining, 205.878906 MB of memory in use. ENERGY: 245800 738.0127 2038.8441 1923.4070 121.2394 -205921.1753 17516.7945 0.0000 0.0000 34253.0356 -149329.8420 299.1403 -183582.8776 -149235.7059 298.2238 -171.9655 -140.9745 558333.5994 -18.0942 -18.2379 PRESSURE: 246000 -133.144 -123.825 50.9528 -123.826 145.8 -219.023 50.9525 -219.024 4.98906 GPRESSURE: 246000 -100.192 -95.9937 70.8641 -167.312 132.933 -144.708 32.7148 -200.185 85.2619 PRESSAVG: 246000 9.51711 -57.0465 6.22988 -57.0465 -52.9441 -66.789 6.22986 -66.7888 80.8819 GPRESSAVG: 246000 6.60207 -54.9646 7.4554 -58.8537 -51.1189 -68.2352 7.94837 -66.2032 82.2461 TIMING: 246000 CPU: 734.597, 0.00299006/step Wall: 734.597, 0.00299006/step, 3.94855 hours remaining, 205.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 246000 722.1331 2002.6656 1951.6887 109.8851 -206592.8561 17906.9058 0.0000 0.0000 34479.1333 -149420.4444 301.1148 -183899.5777 -149324.2249 299.1799 5.8817 39.3342 556877.4344 12.4850 12.5764 PRESSURE: 246200 100.582 -42.0239 47.1945 -42.0231 304.098 83.7636 47.1947 83.7642 -123.1 GPRESSURE: 246200 109.618 -14.2684 39.4681 -42.641 361.447 89.2132 29.5774 44.0676 -99.3215 PRESSAVG: 246200 31.6526 -56.6822 -38.3531 -56.6822 -61.2771 -4.28972 -38.3532 -4.28975 41.4502 GPRESSAVG: 246200 32.8274 -57.4052 -40.1404 -54.6384 -60.2138 -5.11374 -38.1948 -4.58935 39.1809 TIMING: 246200 CPU: 735.195, 0.00299134/step Wall: 735.195, 0.00299134/step, 3.95006 hours remaining, 205.878906 MB of memory in use. ENERGY: 246200 700.9628 2085.4428 1947.9064 113.0620 -206297.2391 17843.3546 0.0000 0.0000 34229.2660 -149377.2445 298.9327 -183606.5105 -149285.2973 298.3569 93.8601 123.9146 556003.8590 3.9419 3.9315 PRESSURE: 246400 63.6274 -75.3498 -37.4272 -75.351 148.826 -196.221 -37.428 -196.22 75.8575 GPRESSURE: 246400 79.3172 -79.5185 -55.4862 -126.767 213.749 -175.282 -17.3546 -188.262 99.6131 PRESSAVG: 246400 -1.15034 -35.8741 41.5761 -35.8741 63.8654 -68.6964 41.5761 -68.6964 -43.2052 GPRESSAVG: 246400 -0.92175 -36.7374 40.921 -36.5918 62.9104 -68.4475 40.4974 -67.8607 -42.5022 TIMING: 246400 CPU: 735.788, 0.00296542/step Wall: 735.788, 0.00296542/step, 3.91567 hours remaining, 205.878906 MB of memory in use. ENERGY: 246400 734.0173 2091.5504 1947.1285 121.1074 -205935.3410 17609.0924 0.0000 0.0000 34187.2905 -149245.1546 298.5661 -183432.4451 -149146.3826 298.4285 96.1038 130.8932 554310.9289 6.5033 6.4955 PRESSURE: 246600 88.582 -181.241 -94.5501 -181.242 179.923 -1.09462 -94.5499 -1.09523 101.017 GPRESSURE: 246600 85.688 -141.847 -84.1246 -236.067 215.145 28.2441 -76.61 -14.7015 165.608 PRESSAVG: 246600 -72.7589 -33.3015 4.13281 -33.3015 -11.7426 14.7958 4.13274 14.7959 52.705 GPRESSAVG: 246600 -73.6636 -34.3174 3.85498 -33.5495 -11.4207 16.8366 4.73615 13.5464 52.4482 TIMING: 246600 CPU: 736.381, 0.00296712/step Wall: 736.381, 0.00296712/step, 3.91775 hours remaining, 205.878906 MB of memory in use. ENERGY: 246600 750.6934 2038.1476 1922.6038 108.7362 -206062.7549 17838.9466 0.0000 0.0000 34115.2636 -149288.3637 297.9371 -183403.6273 -149191.9335 298.5663 123.1742 155.4802 554876.5738 -10.5988 -10.8787 PRESSURE: 246800 23.1566 -58.3562 23.1775 -58.3566 -45.5128 111.891 23.1765 111.89 -31.1895 GPRESSURE: 246800 72.5239 -83.6819 89.7843 -101.839 -34.9417 106.76 -21.7771 81.0208 10.5429 PRESSAVG: 246800 43.4447 -44.0606 -8.74979 -44.0606 -24.3381 10.6951 -8.74977 10.695 -28.1271 GPRESSAVG: 246800 44.5546 -42.2471 -7.8657 -43.3946 -25.8107 9.6924 -7.00011 10.6815 -28.2638 TIMING: 246800 CPU: 736.975, 0.00296849/step Wall: 736.975, 0.00296849/step, 3.9194 hours remaining, 205.878906 MB of memory in use. ENERGY: 246800 732.5444 2076.8659 1929.1083 115.2924 -206379.2146 17826.8746 0.0000 0.0000 34521.2072 -149177.3217 301.4823 -183698.5290 -149079.9584 299.0121 -17.8485 16.0417 555405.3570 -3.0068 -3.1733 PRESSURE: 247000 100.244 80.2914 18.7974 80.2917 148.299 9.02161 18.7984 9.02127 409.252 GPRESSURE: 247000 191.056 87.855 67.0725 87.7226 117.301 -54.215 17.2314 41.3961 450.585 PRESSAVG: 247000 -29.6473 -57.3902 17.2215 -57.3903 49.8198 -11.9102 17.2215 -11.9102 -1.07741 GPRESSAVG: 247000 -29.3522 -55.6847 18.2564 -57.8291 50.5089 -11.6112 14.6869 -11.5087 -1.49868 TIMING: 247000 CPU: 737.571, 0.00298031/step Wall: 737.571, 0.00298031/step, 3.93484 hours remaining, 205.878906 MB of memory in use. ENERGY: 247000 721.4548 2065.4641 1974.9693 109.9423 -206356.0034 17895.7871 0.0000 0.0000 34422.9708 -149165.4150 300.6244 -183588.3857 -149072.6196 299.0668 219.2651 252.9806 556140.1907 6.3650 6.5527 PRESSURE: 247200 67.9985 -5.56877 205.073 -5.57006 353.926 -148.03 205.071 -148.03 -9.82496 GPRESSURE: 247200 95.8501 45.2372 124.467 -35.4342 375.301 -220.36 218.879 -107.991 33.0276 PRESSAVG: 247200 -6.91407 -11.3363 19.136 -11.3363 -9.44481 -45.9499 19.136 -45.9499 35.5211 GPRESSAVG: 247200 -6.7987 -13.3141 17.5412 -12.1458 -9.45139 -45.9083 20.977 -46.5269 35.3218 TIMING: 247200 CPU: 738.172, 0.00300432/step Wall: 738.172, 0.00300432/step, 3.96637 hours remaining, 205.878906 MB of memory in use. ENERGY: 247200 722.1629 2031.0434 1937.7243 103.5557 -206210.8107 17954.2037 0.0000 0.0000 34343.9312 -149118.1894 299.9341 -183462.1206 -149019.4183 299.3306 137.3664 168.0595 556547.3842 6.3874 6.3572 PRESSURE: 247400 -151.011 -1.86454 -56.121 -1.86416 -34.4875 190.091 -56.1196 190.092 103.459 GPRESSURE: 247400 -98.8994 -43.3918 72.764 3.34863 -27.7189 220.271 -50.2736 135.21 154.257 PRESSAVG: 247400 -10.1763 8.5547 32.7172 8.55472 -15.9503 47.0043 32.7171 47.0043 8.40717 GPRESSAVG: 247400 -11.5876 8.22662 35.0553 10.5734 -15.2238 46.5563 31.6619 47.0712 9.80427 TIMING: 247400 CPU: 738.765, 0.00296682/step Wall: 738.765, 0.00296682/step, 3.91669 hours remaining, 205.878906 MB of memory in use. ENERGY: 247400 742.4513 2024.4782 1958.6510 117.0500 -206020.8038 17747.1038 0.0000 0.0000 34303.4814 -149127.5880 299.5808 -183431.0694 -149037.9775 299.3789 -27.3467 9.2129 556237.9149 -5.9065 -5.6690 PRESSURE: 247600 -182.798 41.4378 170.592 41.4386 -137.77 -60.3567 170.592 -60.3565 -278.841 GPRESSURE: 247600 -153.382 -4.28221 180.655 66.361 -141.769 -124.902 182.106 -16.9277 -203.856 PRESSAVG: 247600 -9.1968 -36.1438 42.8868 -36.1438 1.79079 23.7117 42.8869 23.7118 17.3638 GPRESSAVG: 247600 -7.86721 -36.5141 43.3061 -37.0447 1.36594 24.5432 43.5787 24.7755 16.8691 TIMING: 247600 CPU: 739.364, 0.00299256/step Wall: 739.364, 0.00299256/step, 3.95052 hours remaining, 205.941406 MB of memory in use. ENERGY: 247600 752.8409 2117.4629 1931.0993 113.8366 -205840.0650 17486.8925 0.0000 0.0000 34404.3017 -149033.6312 300.4613 -183437.9329 -148934.9485 299.6204 -199.8029 -166.3358 557314.2500 3.3193 3.4559 PRESSURE: 247800 9.39654 -51.5986 -15.8599 -51.5988 108.314 158.996 -15.8602 158.996 -164.338 GPRESSURE: 247800 46.9984 -129.698 -124.303 -74.2746 149.333 198.129 46.0086 165.024 -160.187 PRESSAVG: 247800 6.11886 26.8351 -7.11884 26.8351 41.215 28.7274 -7.11883 28.7274 -46.5076 GPRESSAVG: 247800 4.82726 26.7671 -9.46719 27.3699 41.3507 28.964 -7.26133 28.5293 -45.3441 TIMING: 247800 CPU: 739.959, 0.00297736/step Wall: 739.959, 0.00297736/step, 3.93029 hours remaining, 205.941406 MB of memory in use. ENERGY: 247800 751.1713 2068.1694 1952.3839 112.3423 -206084.8067 17880.1565 0.0000 0.0000 34177.7539 -149142.8293 298.4828 -183320.5832 -149052.1270 299.7866 -15.5427 12.0481 557827.2542 0.2754 0.2780 PRESSURE: 248000 82.5936 88.9835 -196.614 88.984 13.0008 47.8613 -196.614 47.8607 -75.4516 GPRESSURE: 248000 69.5 47.5347 -166.872 118.171 101.321 78.4435 -153.589 94.9535 -48.8965 PRESSAVG: 248000 -29.088 -25.6425 -81.4815 -25.6426 26.0242 -32.5063 -81.4813 -32.5063 -68.7623 GPRESSAVG: 248000 -28.6159 -25.7008 -81.2857 -26.4255 26.4045 -35.2731 -82.8705 -31.8509 -69.3375 TIMING: 248000 CPU: 740.556, 0.00298203/step Wall: 740.556, 0.00298203/step, 3.93628 hours remaining, 205.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 248000 742.4860 2075.9828 1960.9742 119.2831 -205927.4384 17764.1867 0.0000 0.0000 34246.8906 -149017.6349 299.0866 -183264.5255 -148927.7307 299.9580 6.7143 40.6416 558329.7152 -23.9420 -23.8496 PRESSURE: 248200 63.4883 -1.6018 -92.2031 -1.60237 -64.8234 -56.0522 -92.2028 -56.0543 -127.433 GPRESSURE: 248200 81.7895 124.956 -47.6661 -118.26 -38.3188 -34.8637 -104.132 -136.509 -77.2537 PRESSAVG: 248200 -20.2028 -1.56995 -65.5652 -1.56995 -1.89588 -25.3029 -65.5652 -25.3029 -7.67793 GPRESSAVG: 248200 -20.4209 -1.30455 -64.4449 -0.498502 -2.74288 -23.5769 -65.8176 -27.829 -6.49753 TIMING: 248200 CPU: 741.146, 0.0029489/step Wall: 741.146, 0.0029489/step, 3.89238 hours remaining, 205.941406 MB of memory in use. ENERGY: 248200 759.7180 2076.1425 1924.2332 112.4302 -205761.8397 17643.9404 0.0000 0.0000 34198.8792 -149046.4962 298.6673 -183245.3754 -148946.7883 299.9250 -42.9228 -11.2610 558270.7653 -9.9255 -9.8871 LDB: ============= START OF LOAD BALANCING ============== 744.692 LDB: ============== END OF LOAD BALANCING =============== 744.693 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 744.694 LDB: ============= START OF LOAD BALANCING ============== 744.99 LDB: Largest compute 4773 load 0.027764 is 23.5% of average load 0.117994 LDB: Average compute 0.001736 is 1.5% of average load 0.117994 LDB: TIME 744.993 LOAD: AVG 0.117994 MAX 0.20567 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.504 MB LDB: TIME 744.993 LOAD: AVG 0.117994 MAX 0.20567 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.508 MB LDB: TIME 744.993 LOAD: AVG 0.117994 MAX 0.20567 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.508 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 744.995 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 744.999 PRESSURE: 248400 71.065 74.0011 -128.412 74.0013 -33.5084 151.355 -128.411 151.355 93.7447 GPRESSURE: 248400 88.2796 28.3652 -19.1237 60.2831 -11.393 166.362 -158.833 110.738 142.878 PRESSAVG: 248400 3.32319 -6.11142 -11.0677 -6.11158 -72.4302 -43.5822 -11.0676 -43.5822 59.7428 GPRESSAVG: 248400 3.41649 -5.77243 -10.9006 -8.33875 -72.183 -42.2578 -12.4922 -42.5735 60.0229 TIMING: 248400 CPU: 741.749, 0.00301789/step Wall: 741.749, 0.00301789/step, 3.98328 hours remaining, 206.453125 MB of memory in use. ENERGY: 248400 728.4754 2076.2223 1973.4368 121.1259 -206095.6250 17811.0418 0.0000 0.0000 34234.9853 -149150.3375 298.9826 -183385.3228 -149050.1061 299.6655 43.7671 73.2550 557161.0532 -3.1214 -2.9146 PRESSURE: 248600 114.23 -80.7684 70.1637 -80.7683 139.436 20.8553 70.1646 20.8542 141.646 GPRESSURE: 248600 158.038 -46.9834 140.232 -120.78 104.054 94.8553 20.6354 47.917 232.108 PRESSAVG: 248600 -13.9664 -15.7305 4.98254 -15.7305 4.71563 22.3343 4.98257 22.3342 50.2865 GPRESSAVG: 248600 -13.1896 -15.9278 5.9314 -15.0529 4.81586 20.6425 6.27811 23.4342 49.751 TIMING: 248600 CPU: 742.339, 0.00295099/step Wall: 742.339, 0.00295099/step, 3.89482 hours remaining, 206.453125 MB of memory in use. ENERGY: 248600 745.2277 2135.3351 1933.2024 124.9127 -206399.9700 17990.8530 0.0000 0.0000 34348.3324 -149122.1067 299.9725 -183470.4391 -149032.4061 298.6659 131.7706 164.7334 557419.7628 13.6786 13.7924 PRESSURE: 248800 -34.9479 7.26621 -279.949 7.26616 -209.159 39.0895 -279.949 39.09 -27.8888 GPRESSURE: 248800 -52.8518 -23.9767 -116.267 -13.5547 -115.801 -15.1688 -260.323 61.139 -8.27963 PRESSAVG: 248800 -67.7072 -26.3614 -19.8312 -26.3615 -16.0122 11.9055 -19.8312 11.9053 56.2563 GPRESSAVG: 248800 -68.0961 -26.8899 -22.4093 -27.998 -15.2779 13.9792 -19.1011 10.332 55.8835 TIMING: 248800 CPU: 742.93, 0.00295186/step Wall: 742.93, 0.00295186/step, 3.8958 hours remaining, 206.570312 MB of memory in use. ENERGY: 248800 769.5676 2072.7627 1928.8174 108.4742 -205992.0691 17798.5191 0.0000 0.0000 34139.1707 -149174.7574 298.1459 -183313.9281 -149081.4153 299.9004 -90.6652 -58.9776 557764.9809 -9.1544 -9.1635 PRESSURE: 249000 -138.82 -41.6747 -10.4352 -41.6759 35.8203 -197.771 -10.4349 -197.772 96.0024 GPRESSURE: 249000 -87.3494 57.7597 34.554 -31.8753 85.1062 -124.902 -22.3644 -215.062 101.008 PRESSAVG: 249000 42.6836 23.2191 -36.6152 23.2192 -9.14592 -28.4281 -36.6151 -28.4281 -56.4532 GPRESSAVG: 249000 43.175 24.6122 -33.4284 23.1959 -9.01345 -29.6127 -36.1006 -27.7291 -56.4908 TIMING: 249000 CPU: 743.52, 0.00295237/step Wall: 743.52, 0.00295237/step, 3.89631 hours remaining, 206.570312 MB of memory in use. ENERGY: 249000 769.0590 2023.9464 1955.4133 119.2777 -206247.6402 17796.4388 0.0000 0.0000 34380.0303 -149203.4745 300.2494 -183583.5049 -149111.5045 298.8756 -2.3323 32.9215 556300.6858 -7.6385 -7.4431 PRESSURE: 249200 -224.478 -113.718 -84.5399 -113.718 -89.9076 31.406 -84.5413 31.4051 -111.973 GPRESSURE: 249200 -216.638 -163.259 -62.3069 -84.5415 -77.8192 12.5824 -31.8368 47.7072 -52.7953 PRESSAVG: 249200 62.5888 -40.7676 19.8682 -40.7674 -14.064 3.09319 19.8682 3.09321 -18.8657 GPRESSAVG: 249200 60.6577 -41.1379 17.3158 -39.7139 -12.6621 1.06388 19.4016 3.13718 -18.205 TIMING: 249200 CPU: 744.11, 0.00294758/step Wall: 744.11, 0.00294758/step, 3.88982 hours remaining, 206.570312 MB of memory in use. ENERGY: 249200 773.0995 2066.4408 1934.5902 112.6481 -206117.5882 17736.8823 0.0000 0.0000 34387.0722 -149106.8550 300.3109 -183493.9272 -149006.3033 299.5818 -142.1197 -115.7509 557781.2962 9.8864 9.9302 PRESSURE: 249400 -96.8351 -61.2816 61.2018 -61.2794 59.6048 40.0095 61.2023 40.0104 344.201 GPRESSURE: 249400 -82.5633 -59.3428 56.4118 -78.9651 58.9939 46.6253 -1.11284 80.4075 430.854 PRESSAVG: 249400 70.2018 34.5061 65.2935 34.5061 -48.5477 -2.59214 65.2935 -2.59228 -13.5961 GPRESSAVG: 249400 71.8737 33.0791 66.6215 32.6625 -49.7138 -2.72245 64.6461 -0.585294 -13.9033 TIMING: 249400 CPU: 744.702, 0.00296042/step Wall: 744.702, 0.00296042/step, 3.90661 hours remaining, 206.570312 MB of memory in use. ENERGY: 249400 725.8583 2036.8192 1903.4314 122.0760 -206245.2107 17949.9985 0.0000 0.0000 34208.6434 -149298.3839 298.7526 -183507.0273 -149203.9511 299.2578 102.3234 135.7614 556738.8256 2.6860 2.7522 PRESSURE: 249600 324.424 23.2442 -159.493 23.2439 -17.6359 98.3986 -159.492 98.398 255.503 GPRESSURE: 249600 330.173 46.7631 -164.121 9.51302 40.3062 77.2196 -156.097 8.02411 299.183 PRESSAVG: 249600 16.8825 -42.523 25.1139 -42.523 -27.6742 23.2588 25.1139 23.2587 8.38345 GPRESSAVG: 249600 15.6822 -41.3585 25.1883 -42.0662 -27.5919 24.2369 26.7277 21.0101 9.64224 TIMING: 249600 CPU: 745.297, 0.00297664/step Wall: 745.297, 0.00297664/step, 3.92785 hours remaining, 206.570312 MB of memory in use. ENERGY: 249600 723.3619 2060.6388 1921.8059 105.4273 -206400.9735 18002.6340 0.0000 0.0000 34295.6130 -149291.4926 299.5121 -183587.1055 -149199.8753 298.7488 187.4305 223.2206 555569.4216 -0.8027 -0.7558 PRESSURE: 249800 184.488 84.9817 -36.1548 84.9819 166.812 22.1929 -36.1545 22.1922 246.665 GPRESSURE: 249800 255.988 11.6171 -35.9001 151.443 197.814 45.6661 -58.2347 32.4726 241.898 PRESSAVG: 249800 -0.819243 -28.9817 -54.9763 -28.9817 -72.6801 -36.8077 -54.9762 -36.8076 56.8632 GPRESSAVG: 249800 -0.619416 -27.8115 -55.4506 -27.5341 -73.0475 -34.4533 -55.1668 -37.6986 56.7191 TIMING: 249800 CPU: 745.894, 0.00298278/step Wall: 745.894, 0.00298278/step, 3.93578 hours remaining, 206.570312 MB of memory in use. ENERGY: 249800 713.3613 2056.9374 1967.7776 113.6148 -206393.6055 18051.0453 0.0000 0.0000 34271.5819 -149219.2870 299.3022 -183490.8690 -149123.9316 299.3261 199.3215 231.8997 555650.0006 -5.5454 -5.6493 PRESSURE: 250000 83.4571 -25.0272 49.5601 -25.0279 -275.97 74.1046 49.5594 74.1037 -155.685 GPRESSURE: 250000 124.289 -61.7106 17.929 43.6792 -226.909 13.4154 -27.2363 104.74 -144.683 PRESSAVG: 250000 43.0634 -2.43524 -15.1069 -2.43517 20.9389 4.9251 -15.1069 4.925 -32.3756 GPRESSAVG: 250000 42.9753 -2.47953 -14.2086 -3.09381 20.7268 2.32601 -17.2819 5.52359 -32.3667 TIMING: 250000 CPU: 746.485, 0.00295487/step Wall: 746.485, 0.00295487/step, 3.89879 hours remaining, 206.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 250000 769.5424 2067.8738 1932.9277 106.8882 -205780.4763 17522.2694 0.0000 0.0000 34439.5581 -148941.4168 300.7692 -183380.9749 -148846.1372 299.7748 -116.0660 -82.4341 556913.9321 10.5422 10.4451 PRESSURE: 250200 -16.3277 190.125 -91.2407 190.124 142.714 14.8481 -91.2409 14.8493 79.2397 GPRESSURE: 250200 -38.852 119.498 -75.6836 221.909 182.635 -13.1067 -77.9071 17.9045 159.248 PRESSAVG: 250200 9.02767 2.27521 4.47537 2.27531 12.4182 0.900862 4.47534 0.900947 -25.8372 GPRESSAVG: 250200 9.26848 3.02897 4.06279 0.471546 12.7885 2.45745 3.96447 3.15735 -26.553 TIMING: 250200 CPU: 747.084, 0.00299585/step Wall: 747.084, 0.00299585/step, 3.95269 hours remaining, 206.570312 MB of memory in use. ENERGY: 250200 770.1083 2037.9476 1960.2958 126.2153 -206046.6351 17912.0126 0.0000 0.0000 34283.2236 -148956.8319 299.4039 -183240.0555 -148866.8390 299.8993 68.5421 101.0105 557860.1300 -1.4638 -1.4987 PRESSURE: 250400 190.013 10.8308 51.7854 10.8316 61.3196 -153.454 51.786 -153.453 -86.8906 GPRESSURE: 250400 256.719 44.896 126.788 -3.74467 47.5415 -46.0577 85.2485 -287.302 -49.3558 PRESSAVG: 250400 78.964 14.8176 -13.4388 14.8176 -80.6558 -33.2539 -13.4388 -33.2539 -12.7733 GPRESSAVG: 250400 78.9234 12.1814 -12.6904 16.51 -80.7125 -32.5127 -11.5407 -36.9733 -12.8286 TIMING: 250400 CPU: 747.679, 0.0029768/step Wall: 747.679, 0.0029768/step, 3.92739 hours remaining, 206.570312 MB of memory in use. ENERGY: 250400 728.5553 2069.9623 1916.7336 101.6091 -205749.5957 17602.6233 0.0000 0.0000 34316.9922 -149013.1200 299.6988 -183330.1122 -148915.0350 299.8240 54.8140 84.9683 556932.9004 -4.8217 -4.8726 PRESSURE: 250600 140.677 44.9814 -86.748 44.9819 50.0431 -25.3196 -86.7467 -25.3193 74.7304 GPRESSURE: 250600 150.027 -7.8934 -99.3817 53.5681 35.2492 -71.7428 -72.349 -51.1454 187.424 PRESSAVG: 250600 29.1272 -6.02823 -12.4543 -6.02821 10.9116 -18.1616 -12.4542 -18.1618 -34.6392 GPRESSAVG: 250600 29.1843 -4.8569 -14.2669 -5.90242 11.6906 -17.3587 -12.0445 -17.0091 -35.3513 TIMING: 250600 CPU: 748.273, 0.00297012/step Wall: 748.273, 0.00297012/step, 3.91841 hours remaining, 206.570312 MB of memory in use. ENERGY: 250600 750.3569 2081.6196 1953.1293 112.2342 -205950.6374 17814.3182 0.0000 0.0000 34154.0754 -149084.9039 298.2760 -183238.9793 -148982.6844 299.4936 88.4834 124.2334 557670.6169 1.7999 1.8412 PRESSURE: 250800 34.6176 -84.6786 -51.8509 -84.6774 -88.9122 -84.6635 -51.8516 -84.6606 -61.7577 GPRESSURE: 250800 46.469 -169.151 -25.4886 5.63605 -105.219 -72.2346 -85.3642 55.293 30.0037 PRESSAVG: 250800 0.338295 -35.3374 0.537163 -35.3374 -6.4435 -27.1486 0.537103 -27.1485 28.1622 GPRESSAVG: 250800 0.634443 -34.7841 1.76742 -36.9919 -7.30061 -29.3911 0.725898 -24.7246 28.3745 TIMING: 250800 CPU: 748.87, 0.00298261/step Wall: 748.87, 0.00298261/step, 3.93472 hours remaining, 206.570312 MB of memory in use. ENERGY: 250800 744.6022 2021.4086 1966.8612 129.7975 -206227.1469 17785.3142 0.0000 0.0000 34632.3678 -148946.7954 302.4531 -183579.1632 -148850.7009 299.7266 -38.6841 -9.5821 557218.5028 7.3523 7.2361 PRESSURE: 251000 -38.3354 167.484 -23.2652 167.484 21.9702 180.636 -23.2651 180.634 5.2348 GPRESSURE: 251000 -4.96992 189.294 -41.3272 87.421 22.276 207.651 -25.7155 232.795 78.1632 PRESSAVG: 251000 1.71275 21.1784 25.0883 21.1784 -9.67002 3.67521 25.0882 3.67516 16.0461 GPRESSAVG: 251000 1.34971 20.9567 22.1568 22.4787 -9.71762 4.77513 26.5821 3.32035 16.63 TIMING: 251000 CPU: 749.463, 0.00296592/step Wall: 749.463, 0.00296592/step, 3.91254 hours remaining, 206.570312 MB of memory in use. ENERGY: 251000 786.7196 2084.1247 1940.6026 121.5797 -205897.5953 17671.8685 0.0000 0.0000 34318.1228 -148974.5774 299.7087 -183292.7002 -148879.5553 301.0308 -3.7101 31.8231 558016.9268 2.6963 2.7540 PRESSURE: 251200 -98.9062 81.1406 132.397 81.1391 158.778 135.102 132.397 135.101 7.64942 GPRESSURE: 251200 -23.7159 -15.6157 38.2829 166.133 171.196 105.557 185.278 155.286 26.0911 PRESSAVG: 251200 -46.5098 -9.89951 37.7124 -9.89954 -8.80588 23.8445 37.7124 23.8445 58.3907 GPRESSAVG: 251200 -46.6787 -9.93204 38.8268 -9.18891 -7.78721 24.5589 34.1892 22.801 57.2871 TIMING: 251200 CPU: 750.061, 0.00299178/step Wall: 750.061, 0.00299178/step, 3.94649 hours remaining, 206.570312 MB of memory in use. ENERGY: 251200 768.6824 2145.2575 1918.1381 107.8223 -206154.1854 17837.4345 0.0000 0.0000 34252.1413 -149124.7093 299.1325 -183376.8506 -149034.7738 299.4637 22.5072 57.8570 557344.1538 1.0250 0.9404 PRESSURE: 251400 12.0651 162.291 112.114 162.292 152.799 -12.3534 112.114 -12.3545 302.565 GPRESSURE: 251400 23.8899 89.245 104.685 154.057 144.74 32.1932 81.1656 -53.3659 408.313 PRESSAVG: 251400 18.5752 14.6987 40.499 14.6988 -32.2715 -20.3375 40.4991 -20.3373 40.7645 GPRESSAVG: 251400 18.907 14.6597 39.953 12.403 -33.2971 -22.2619 41.623 -18.4261 41.4949 TIMING: 251400 CPU: 750.662, 0.00300169/step Wall: 750.662, 0.00300169/step, 3.9594 hours remaining, 206.570312 MB of memory in use. ENERGY: 251400 761.3467 2106.9378 1974.5916 111.1433 -206490.1440 18172.1945 0.0000 0.0000 34367.2234 -148996.7067 300.1375 -183363.9301 -148899.6283 300.1861 155.8096 192.3143 558426.5475 9.0227 9.0349 PRESSURE: 251600 -97.765 44.8579 50.8606 44.8589 -232.416 75.347 50.8603 75.3475 91.4604 GPRESSURE: 251600 -32.8489 28.2724 31.7198 49.2701 -208.448 -0.690624 35.8443 67.5448 102.038 PRESSAVG: 251600 -55.4018 -21.9818 69.6479 -21.9818 -49.4865 14.3799 69.6479 14.3798 61.0751 GPRESSAVG: 251600 -54.6937 -23.8426 70.0612 -20.6054 -49.8451 14.8471 68.8495 13.3492 61.0563 TIMING: 251600 CPU: 751.268, 0.0030337/step Wall: 751.268, 0.0030337/step, 4.00145 hours remaining, 206.570312 MB of memory in use. ENERGY: 251600 769.0522 2057.8238 1927.9435 99.0785 -205787.3519 17702.1826 0.0000 0.0000 34073.3824 -149157.8889 297.5713 -183231.2713 -149057.9591 299.3106 -79.5736 -46.4197 557713.7136 -14.6044 -14.4941 PRESSURE: 251800 364.634 -72.0487 -91.5117 -72.0475 190.998 95.4922 -91.5114 95.492 222.965 GPRESSURE: 251800 392.902 -69.5303 -97.9047 -96.7489 217.573 36.5895 -98.917 84.476 270.22 PRESSAVG: 251800 -0.795155 5.35242 19.0182 5.35242 -5.83961 16.5453 19.0181 16.5454 9.77201 GPRESSAVG: 251800 -1.41648 5.57272 18.5831 6.04232 -4.11478 17.9218 21.3966 17.159 8.96233 TIMING: 251800 CPU: 751.87, 0.00300827/step Wall: 751.87, 0.00300827/step, 3.96774 hours remaining, 206.570312 MB of memory in use. ENERGY: 251800 742.5064 2125.4267 1968.6072 116.3056 -206708.8293 18198.8550 0.0000 0.0000 34287.9586 -149269.1699 299.4453 -183557.1285 -149161.2915 298.5968 259.5324 293.5650 556983.2270 1.0457 1.1437 PRESSURE: 252000 -108.658 120.214 -65.4397 120.214 -43.9191 -64.6215 -65.4384 -64.6217 -178.416 GPRESSURE: 252000 -43.5197 165.483 -132.46 103.29 -49.6389 -90.9204 -88.6042 -57.91 -148.473 PRESSAVG: 252000 48.1202 12.1127 8.65915 12.1127 -2.4783 9.5328 8.65923 9.53287 -47.2786 GPRESSAVG: 252000 48.315 13.8945 10.2162 10.3095 -3.47841 9.91346 5.67843 8.52981 -46.5272 TIMING: 252000 CPU: 752.478, 0.00304103/step Wall: 752.478, 0.00304103/step, 4.01078 hours remaining, 206.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 252000 725.8136 2109.0985 1916.5630 126.6713 -205933.9301 17556.1370 0.0000 0.0000 34178.2270 -149321.4198 298.4870 -183499.6468 -149224.6707 298.8562 -110.3312 -80.5440 557567.8218 -0.5456 -0.5635 PRESSURE: 252200 -37.006 -10.3934 80.958 -10.3919 -94.8097 88.301 80.957 88.302 -47.8647 GPRESSURE: 252200 -21.7706 -36.9465 61.3352 4.35816 -39.1528 35.8347 154.709 127.74 -19.9436 PRESSAVG: 252200 -19.1645 11.1567 -5.86711 11.1567 44.8183 11.4893 -5.8671 11.4892 -20.8029 GPRESSAVG: 252200 -20.1113 9.50375 -6.3619 14.1038 44.9205 9.6185 -4.34093 13.2248 -19.5763 TIMING: 252200 CPU: 753.087, 0.00304388/step Wall: 753.087, 0.00304388/step, 4.01437 hours remaining, 206.570312 MB of memory in use. ENERGY: 252200 758.4028 2096.8443 1940.9749 124.1920 -206034.4501 17651.7209 0.0000 0.0000 34184.5903 -149277.7249 298.5425 -183462.3152 -149183.7298 299.0646 -59.8935 -26.9556 557994.3644 1.6170 1.7443 LDB: ============= START OF LOAD BALANCING ============== 756.637 LDB: ============== END OF LOAD BALANCING =============== 756.637 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 756.639 LDB: ============= START OF LOAD BALANCING ============== 756.94 LDB: Largest compute 4773 load 0.029773 is 25.2% of average load 0.117980 LDB: Average compute 0.001736 is 1.5% of average load 0.117980 LDB: TIME 756.943 LOAD: AVG 0.11798 MAX 0.20385 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.445 MB LDB: TIME 756.943 LOAD: AVG 0.11798 MAX 0.20385 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.445 MB LDB: TIME 756.943 LOAD: AVG 0.11798 MAX 0.20385 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.445 MB LDB: ============== END OF LOAD BALANCING =============== 756.945 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 756.949 PRESSURE: 252400 -21.5876 -0.279758 -79.9345 -0.278298 -311.79 -15.4698 -79.934 -15.4687 149.899 GPRESSURE: 252400 -21.2394 -2.8337 -34.0431 -31.726 -257.151 -2.52621 -76.0917 -24.048 180.012 PRESSAVG: 252400 -6.06033 -27.4589 -27.8872 -27.4589 44.2281 43.4764 -27.8872 43.4765 -31.6702 GPRESSAVG: 252400 -5.98612 -27.7229 -28.3931 -29.9013 45.3617 44.3707 -29.0192 41.8137 -32.7473 TIMING: 252400 CPU: 753.699, 0.00306009/step Wall: 753.699, 0.00306009/step, 4.03558 hours remaining, 205.941406 MB of memory in use. ENERGY: 252400 728.2736 2058.7921 1948.2728 122.5727 -205908.5922 17613.6659 0.0000 0.0000 34058.8217 -149378.1933 297.4442 -183437.0150 -149281.9821 298.7894 -61.1596 -32.7930 558087.0974 2.1658 2.2094 PRESSURE: 252600 9.34097 -111.312 38.7417 -111.312 154.262 136.811 38.7412 136.811 -51.7912 GPRESSURE: 252600 49.4156 -88.7328 118.371 -2.58803 147.073 70.0126 78.0528 159.394 11.8753 PRESSAVG: 252600 0.153098 -42.848 -50.0607 -42.8481 40.0547 32.2156 -50.0608 32.2156 -38.7594 GPRESSAVG: 252600 -0.377547 -42.4302 -49.8789 -40.5038 39.4996 32.3039 -49.2429 32.1861 -36.9587 TIMING: 252600 CPU: 754.303, 0.0030219/step Wall: 754.303, 0.0030219/step, 3.98504 hours remaining, 205.941406 MB of memory in use. ENERGY: 252600 749.1301 2141.1708 1917.9156 107.9114 -206355.9744 17891.1944 0.0000 0.0000 34072.1984 -149476.4537 297.5610 -183548.6521 -149377.5303 298.5795 37.2707 69.4546 557890.6651 0.4828 0.7211 PRESSURE: 252800 278.632 48.9687 -189.553 48.9681 184.226 195.658 -189.551 195.66 134.447 GPRESSURE: 252800 291.738 -16.081 -201.697 67.4435 236.334 233.906 -152.188 149.862 174.363 PRESSAVG: 252800 -4.53696 18.0998 -13.6262 18.0999 53.1598 5.59333 -13.6262 5.59325 -38.7869 GPRESSAVG: 252800 -3.68912 19.9826 -14.7155 16.1746 52.8169 5.2201 -12.7006 7.04818 -39.5625 TIMING: 252800 CPU: 754.896, 0.00296092/step Wall: 754.896, 0.00296092/step, 3.90447 hours remaining, 205.941406 MB of memory in use. ENERGY: 252800 730.8717 2032.6786 1921.9555 110.1150 -206839.3823 18130.6443 0.0000 0.0000 34381.9776 -149531.1397 300.2664 -183913.1173 -149436.6734 298.4144 199.1018 234.1449 556019.2440 3.2787 3.1884 PRESSURE: 253000 -171.574 181.775 -57.7123 181.775 97.2204 -12.7373 -57.7115 -12.7368 -107.47 GPRESSURE: 253000 -157.658 195.754 -84.4547 172.632 91.5697 24.5046 1.97472 -60.5647 -14.4635 PRESSAVG: 253000 27.1388 44.1902 -40.36 44.1902 -23.8671 29.0393 -40.3599 29.0392 40.0328 GPRESSAVG: 253000 26.9258 43.8642 -40.252 44.0979 -23.8042 28.1118 -42.1987 29.456 40.2249 TIMING: 253000 CPU: 755.49, 0.00297254/step Wall: 755.49, 0.00297254/step, 3.91963 hours remaining, 205.941406 MB of memory in use. ENERGY: 253000 737.4892 2140.2268 1935.8287 113.9890 -206271.1365 17619.8382 0.0000 0.0000 34242.5366 -149481.2279 299.0486 -183723.7644 -149384.1117 298.5388 -60.6078 -26.8507 556642.2898 14.4348 14.4488 PRESSURE: 253200 -239.249 93.0205 -266.438 93.0195 -20.1047 34.2621 -266.439 34.264 41.0486 GPRESSURE: 253200 -163.408 -42.7601 -242.6 164.161 -10.5761 28.3369 -281.354 103.441 61.4253 PRESSAVG: 253200 19.6184 27.5746 -47.3123 27.5746 -3.76982 -4.03512 -47.3123 -4.03506 -5.61174 GPRESSAVG: 253200 19.3298 26.2144 -46.2752 31.1483 -2.6469 -4.43346 -47.2841 -3.83168 -5.57246 TIMING: 253200 CPU: 756.087, 0.00298303/step Wall: 756.087, 0.00298303/step, 3.93329 hours remaining, 205.941406 MB of memory in use. ENERGY: 253200 742.8325 2103.7422 1959.9653 111.8628 -206061.5199 17573.7840 0.0000 0.0000 34123.3488 -149445.9843 298.0077 -183569.3331 -149345.7834 298.9219 -72.7684 -37.5197 556507.1241 3.4123 3.7035 PRESSURE: 253400 -44.0703 -74.3889 137.239 -74.3895 -313.112 2.1137 137.238 2.11203 -96.0614 GPRESSURE: 253400 -63.1911 -128.851 79.0646 -99.0985 -257.521 53.4481 177.043 -113.42 -50.1665 PRESSAVG: 253400 -54.174 -78.3993 41.9926 -78.3993 -24.4437 27.6901 41.9925 27.6901 77.5973 GPRESSAVG: 253400 -53.3023 -77.8231 43.1662 -81.9133 -24.8788 28.9655 42.8786 26.7652 77.3429 TIMING: 253400 CPU: 756.68, 0.00296699/step Wall: 756.68, 0.00296699/step, 3.91198 hours remaining, 205.941406 MB of memory in use. ENERGY: 253400 714.3347 2048.7879 1937.1084 108.4320 -205804.5881 17526.5925 0.0000 0.0000 34063.1417 -149406.1909 297.4819 -183469.3326 -149310.2091 298.1235 -151.0811 -123.6263 557227.6505 -0.3401 -0.2794 PRESSURE: 253600 151.707 19.84 -32.0736 19.84 -49.2001 89.9459 -32.073 89.9455 23.2713 GPRESSURE: 253600 186.828 -66.3735 -6.45531 55.3416 26.7085 30.3236 32.0855 107.262 16.7132 PRESSAVG: 253600 -21.7818 -33.853 -13.1483 -33.853 -22.6388 20.0367 -13.1484 20.0367 42.0474 GPRESSAVG: 253600 -21.5776 -33.8118 -14.4141 -33.9893 -22.472 20.2822 -14.2305 21.4554 41.6907 TIMING: 253600 CPU: 757.275, 0.00297554/step Wall: 757.275, 0.00297554/step, 3.92308 hours remaining, 205.941406 MB of memory in use. ENERGY: 253600 750.6809 2045.3011 1942.1439 112.2338 -206075.0113 17801.8890 0.0000 0.0000 34156.2310 -149266.5317 298.2949 -183422.7627 -149173.3671 298.5612 41.9260 76.7499 557538.3167 -0.7911 -0.7863 PRESSURE: 253800 -12.3798 108.685 -50.0307 108.686 -178.973 -75.0789 -50.0314 -75.0791 10.607 GPRESSURE: 253800 31.5305 5.71436 -88.7884 150.552 -76.5178 -144.246 -37.6538 2.37843 -40.9463 PRESSAVG: 253800 16.5759 90.7943 -37.9173 90.7943 -48.4651 28.1719 -37.9173 28.1719 -1.13241 GPRESSAVG: 253800 16.9728 90.0791 -38.3903 91.9476 -48.4876 29.8056 -36.8754 27.2041 -1.52668 TIMING: 253800 CPU: 757.869, 0.00296686/step Wall: 757.869, 0.00296686/step, 3.91148 hours remaining, 205.941406 MB of memory in use. ENERGY: 253800 706.2576 2084.2751 1969.9028 115.1210 -206157.3332 17915.9005 0.0000 0.0000 34209.6127 -149156.2635 298.7611 -183365.8762 -149052.7495 298.8560 -60.2487 -28.6445 558723.7418 -11.0072 -11.0138 PRESSURE: 254000 88.2545 95.5943 112.406 95.5938 85.4125 -69.7313 112.407 -69.7313 64.3803 GPRESSURE: 254000 132.749 116.654 -0.907035 62.3115 127.183 -13.9403 268.035 -117.807 72.8665 PRESSAVG: 254000 32.6006 -94.9646 -8.28404 -94.9645 -20.9672 2.07012 -8.28404 2.07013 -9.38994 GPRESSAVG: 254000 32.0804 -92.9756 -7.45212 -95.9901 -20.1962 1.76786 -7.45738 1.98062 -9.65319 TIMING: 254000 CPU: 758.465, 0.00298257/step Wall: 758.465, 0.00298257/step, 3.93203 hours remaining, 205.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 254000 710.8684 2063.1398 1939.8057 107.7662 -206179.0471 17866.4714 0.0000 0.0000 34342.5271 -149148.4687 299.9218 -183490.9957 -149056.7102 299.1206 79.3491 110.9326 556948.5905 0.7478 0.7437 PRESSURE: 254200 -10.106 50.3051 62.8241 50.3043 -324.862 88.1981 62.8249 88.199 162.878 GPRESSURE: 254200 22.5816 26.7549 104.885 6.34497 -249.912 3.69014 18.9785 17.5225 145.606 PRESSAVG: 254200 10.2301 -41.8943 -39.1963 -41.8943 -34.0898 8.31033 -39.1962 8.31046 56.153 GPRESSAVG: 254200 11.3103 -43.7811 -39.2624 -43.2297 -35.2815 10.2584 -40.2861 5.79433 56.1796 TIMING: 254200 CPU: 759.063, 0.00298882/step Wall: 759.063, 0.00298882/step, 3.9401 hours remaining, 205.941406 MB of memory in use. ENERGY: 254200 743.6313 2083.6255 1955.9023 114.5567 -206477.3009 17895.8148 0.0000 0.0000 34404.6995 -149279.0707 300.4648 -183683.7702 -149183.2107 299.0891 -57.3632 -27.2414 557000.9848 10.7644 10.7361 PRESSURE: 254400 9.30001 -64.8981 -204.452 -64.8974 -273.414 -26.6905 -204.452 -26.689 -45.533 GPRESSURE: 254400 0.510616 -85.155 -210.323 -69.5236 -215.231 -4.34145 -149.473 -29.556 0.685082 PRESSAVG: 254400 -19.2034 -61.8798 42.259 -61.8798 22.0037 52.6361 42.259 52.6361 -15.6675 GPRESSAVG: 254400 -19.9241 -61.1245 43.2452 -61.3362 22.5266 49.5575 42.4989 55.8463 -15.6613 TIMING: 254400 CPU: 759.655, 0.00295879/step Wall: 759.655, 0.00295879/step, 3.90034 hours remaining, 205.941406 MB of memory in use. ENERGY: 254400 721.4224 2061.5690 1960.7190 114.6138 -205791.7355 17607.4576 0.0000 0.0000 34103.2252 -149222.7284 297.8319 -183325.9536 -149127.2667 299.5430 -103.2156 -71.3450 557224.7075 -4.2891 -4.3529 PRESSURE: 254600 -169.422 -44.9961 -122.827 -44.9954 -409.129 95.7057 -122.827 95.7066 -86.766 GPRESSURE: 254600 -153.374 -42.9125 -61.4277 -14.9176 -329.533 66.5986 -199.06 54.7577 -79.3606 PRESSAVG: 254600 35.7382 -12.8673 6.49544 -12.8672 -5.45596 4.78065 6.49538 4.78057 -8.74839 GPRESSAVG: 254600 35.0993 -12.4712 7.14562 -12.712 -6.10202 4.24572 4.50527 2.91847 -7.09687 TIMING: 254600 CPU: 760.251, 0.00298011/step Wall: 760.251, 0.00298011/step, 3.92829 hours remaining, 205.941406 MB of memory in use. ENERGY: 254600 762.8355 2069.0770 1944.4107 110.6448 -205927.3372 17556.9283 0.0000 0.0000 34305.4589 -149177.9820 299.5981 -183483.4409 -149087.3746 299.7829 -221.7721 -187.4226 558350.0194 7.1779 7.3002 PRESSURE: 254800 155.12 -169.853 -73.8472 -169.853 245.016 32.0077 -73.8471 32.0074 89.5894 GPRESSURE: 254800 236.952 -110.901 -107.778 -158.299 222.935 -32.6336 -46.0428 19.3819 125.366 PRESSAVG: 254800 68.8785 -33.6069 -85.4017 -33.607 -88.7525 13.3369 -85.4018 13.3369 42.5548 GPRESSAVG: 254800 68.6843 -35.2992 -86.0991 -33.2457 -89.0104 13.4375 -81.77 15.9009 43.1986 TIMING: 254800 CPU: 760.85, 0.00299852/step Wall: 760.85, 0.00299852/step, 3.95238 hours remaining, 205.941406 MB of memory in use. ENERGY: 254800 772.2573 2137.4524 1923.2928 109.4522 -206519.0824 18204.7584 0.0000 0.0000 34128.0931 -149243.7762 298.0491 -183371.8694 -149147.7686 299.6307 163.2416 195.0844 556807.7875 7.5603 7.6242 PRESSURE: 255000 187.778 18.9546 15.5021 18.9535 -129.86 71.3585 15.5033 71.3591 -38.9212 GPRESSURE: 255000 182.145 -4.26471 0.725626 72.7566 -101.405 77.1021 97.5943 103.981 38.4332 PRESSAVG: 255000 22.8918 -41.519 -48.2419 -41.5191 -30.9012 18.1177 -48.2419 18.1177 11.1292 GPRESSAVG: 255000 24.2876 -41.4448 -49.5 -41.188 -30.0801 20.075 -48.6724 16.0212 8.6062 TIMING: 255000 CPU: 761.447, 0.00298544/step Wall: 761.447, 0.00298544/step, 3.93497 hours remaining, 205.941406 MB of memory in use. ENERGY: 255000 772.2868 2063.5323 1928.0893 114.6956 -206371.6366 17754.0252 0.0000 0.0000 34305.1950 -149433.8123 299.5958 -183739.0074 -149338.8278 298.4219 6.3323 39.7244 556803.0950 1.0400 0.9379 PRESSURE: 255200 193.494 11.1126 42.9079 11.1131 -159.42 153.306 42.9074 153.305 256.391 GPRESSURE: 255200 190.724 80.5585 23.8468 -76.6963 -123.575 180.506 -28.4622 84.9661 321.495 PRESSAVG: 255200 4.26986 -13.8399 -10.6564 -13.8399 -51.5165 -12.8927 -10.6563 -12.8926 30.2111 GPRESSAVG: 255200 4.1058 -12.6979 -10.3537 -14.9103 -52.5166 -13.449 -10.9693 -12.129 31.2963 TIMING: 255200 CPU: 762.041, 0.00296616/step Wall: 762.041, 0.00296616/step, 3.90939 hours remaining, 205.941406 MB of memory in use. ENERGY: 255200 737.9780 2098.3954 1920.3901 115.5193 -206507.1129 18101.8602 0.0000 0.0000 34038.1860 -149494.7840 297.2639 -183532.9700 -149409.5745 299.3665 96.8217 129.5478 557024.9265 -5.6785 -5.7048 PRESSURE: 255400 -172.587 -26.9606 165.859 -26.9614 8.05149 -18.6226 165.858 -18.6228 15.2236 GPRESSURE: 255400 -146.034 28.9824 172.574 -6.77216 38.6593 -17.7547 132.555 -51.5458 53.9564 PRESSAVG: 255400 -27.6324 32.9182 30.9031 32.9183 -17.407 3.23904 30.9031 3.23897 52.3638 GPRESSAVG: 255400 -28.053 32.8453 31.3053 33.1978 -17.4971 3.54187 31.5151 1.64631 52.401 TIMING: 255400 CPU: 762.637, 0.00298321/step Wall: 762.637, 0.00298321/step, 3.9317 hours remaining, 205.941406 MB of memory in use. ENERGY: 255400 761.1073 2080.4044 1923.6546 119.1199 -206536.7133 17932.0933 0.0000 0.0000 34279.9882 -149440.3456 299.3757 -183720.3338 -149347.3854 298.2313 -49.7705 -17.8062 557448.3307 2.4415 2.2836 PRESSURE: 255600 -53.6533 -29.7096 142.182 -29.7109 49.2912 -80.4968 142.182 -80.496 -75.7627 GPRESSURE: 255600 15.7168 11.6339 104.209 1.72057 67.2116 -127.025 220.298 -126.975 -68.0643 PRESSAVG: 255600 24.6437 11.3417 26.5218 11.3418 -35.2272 -16.0272 26.5218 -16.0271 27.1267 GPRESSAVG: 255600 24.1054 12.1935 28.1996 11.4533 -35.0629 -17.1626 26.5948 -14.4538 27.222 TIMING: 255600 CPU: 763.231, 0.0029677/step Wall: 763.231, 0.00296769/step, 3.91109 hours remaining, 205.941406 MB of memory in use. ENERGY: 255600 762.2265 2104.4144 1961.4236 108.0099 -206305.7640 17716.8890 0.0000 0.0000 34355.4824 -149297.3182 300.0350 -183652.8006 -149202.2300 299.0190 -26.7083 4.9547 556245.8445 5.5144 5.4215 PRESSURE: 255800 -74.7868 -58.7128 -231.298 -58.7125 -352.682 -65.7085 -231.298 -65.7089 14.932 GPRESSURE: 255800 -62.7543 -53.094 -338.52 -54.8792 -321.845 -21.3195 -206.801 -58.6986 59.8424 PRESSAVG: 255800 15.7551 -19.8654 18.5076 -19.8654 -23.8223 -7.8104 18.5077 -7.81049 -32.4978 GPRESSAVG: 255800 15.1088 -20.9495 15.7072 -18.1617 -22.6448 -5.88826 18.5074 -9.58621 -33.5974 TIMING: 255800 CPU: 763.827, 0.00297914/step Wall: 763.827, 0.00297914/step, 3.92602 hours remaining, 205.941406 MB of memory in use. ENERGY: 255800 752.7768 2063.7960 1924.6367 118.9880 -206117.7340 17736.1696 0.0000 0.0000 34195.4120 -149325.9548 298.6370 -183521.3669 -149227.6993 299.5342 -137.5123 -108.2523 555533.2484 -13.5217 -13.7111 PRESSURE: 256000 -133.28 -164.82 121.859 -164.818 -70.1546 -37.0821 121.86 -37.0823 -488.164 GPRESSURE: 256000 -41.2325 -209.313 138.441 -142.797 -77.2302 56.2242 122.394 -70.9581 -467.993 PRESSAVG: 256000 22.8812 -23.8428 -20.342 -23.8427 -6.81604 -19.7762 -20.342 -19.7761 -47.3114 GPRESSAVG: 256000 23.2612 -24.4708 -18.8847 -24.3039 -8.17169 -20.9627 -22.219 -18.4466 -46.5561 TIMING: 256000 CPU: 764.427, 0.0030002/step Wall: 764.427, 0.0030002/step, 3.95359 hours remaining, 205.941406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 256000 778.0059 2096.0404 1941.2779 116.6242 -206009.0661 17475.5164 0.0000 0.0000 34182.3169 -149419.2844 298.5227 -183601.6013 -149317.3394 298.8576 -230.5329 -195.4852 556734.5412 -10.4154 -10.4889 PRESSURE: 256200 -159.704 -214.553 208.655 -214.552 152.922 1.9454 208.655 1.9444 140.088 GPRESSURE: 256200 -121.277 -225.212 233.048 -196.625 176.61 84.5143 140.461 -6.42788 172.186 PRESSAVG: 256200 -52.5543 -77.3981 30.8714 -77.3981 99.4118 -0.618288 30.8714 -0.618389 -19.9432 GPRESSAVG: 256200 -51.5916 -75.5432 33.6793 -77.9864 99.3915 -0.613483 30.6137 -0.678118 -20.6989 TIMING: 256200 CPU: 765.025, 0.00299337/step Wall: 765.025, 0.00299337/step, 3.94443 hours remaining, 205.941406 MB of memory in use. ENERGY: 256200 752.9202 2035.6487 1954.5385 116.5080 -206373.5015 17793.2849 0.0000 0.0000 34187.3761 -149533.2250 298.5669 -183720.6012 -149433.6457 298.6009 44.4351 75.8394 556102.8857 8.9714 9.0337 LDB: ============= START OF LOAD BALANCING ============== 768.572 LDB: ============== END OF LOAD BALANCING =============== 768.572 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 768.573 LDB: ============= START OF LOAD BALANCING ============== 768.872 LDB: Largest compute 4773 load 0.028672 is 24.3% of average load 0.118076 LDB: Average compute 0.001736 is 1.5% of average load 0.118076 LDB: TIME 768.875 LOAD: AVG 0.118076 MAX 0.204308 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 768.875 LOAD: AVG 0.118076 MAX 0.204308 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.945 MB LDB: TIME 768.876 LOAD: AVG 0.118076 MAX 0.204308 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.945 MB LDB: ============== END OF LOAD BALANCING =============== 768.878 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 768.882 PRESSURE: 256400 -77.3881 -14.3758 8.42701 -14.3759 -88.3298 -78.5899 8.42494 -78.5904 21.2464 GPRESSURE: 256400 -75.8616 -28.0018 98.6879 -47.7885 -32.1118 -55.8528 23.045 -126.251 63.6637 PRESSAVG: 256400 -39.3617 -35.8639 -32.2883 -35.8638 49.3835 -0.96955 -32.2883 -0.969485 12.8132 GPRESSAVG: 256400 -40.9042 -38.1026 -35.016 -35.5701 50.226 -0.983548 -31.3066 -1.57012 14.0551 TIMING: 256400 CPU: 765.632, 0.00303251/step Wall: 765.632, 0.00303251/step, 3.99583 hours remaining, 207.222656 MB of memory in use. ENERGY: 256400 744.8469 2082.6265 1961.2098 117.7417 -206401.9224 17899.7450 0.0000 0.0000 34028.4033 -149567.3493 297.1785 -183595.7525 -149474.1817 298.0325 -48.1572 -14.7699 556648.3798 7.6116 7.7923 PRESSURE: 256600 106.946 33.7963 60 33.7973 73.3325 141.987 59.9994 141.987 108.795 GPRESSURE: 256600 122.421 50.7207 50.5644 -14.6399 124.84 64.8127 72.4956 214.382 146.636 PRESSAVG: 256600 -30.6115 -69.8571 -18.5026 -69.8571 70.9318 1.13428 -18.5026 1.13427 -42.0327 GPRESSAVG: 256600 -29.1865 -69.2127 -16.7918 -70.1391 70.6001 2.17334 -18.5762 1.11849 -42.687 TIMING: 256600 CPU: 766.23, 0.00299224/step Wall: 766.23, 0.00299224/step, 3.94261 hours remaining, 207.222656 MB of memory in use. ENERGY: 256600 747.7963 2096.0058 1924.4462 105.8944 -206483.1221 17924.6501 0.0000 0.0000 34289.5344 -149394.7949 299.4590 -183684.3293 -149297.4908 297.5680 96.3579 131.2989 557434.0790 -0.5708 -0.4245 PRESSURE: 256800 35.6049 91.4701 199.721 91.4696 84.9989 -72.902 199.72 -72.903 30.3747 GPRESSURE: 256800 83.794 77.9663 133.764 34.724 69.076 15.6126 215.15 -104.237 91.6381 PRESSAVG: 256800 75.0781 -22.0346 12.4683 -22.0346 -8.7617 4.96999 12.4684 4.96985 -31.1132 GPRESSAVG: 256800 75.4416 -23.3425 12.2593 -22.5662 -9.38971 5.66084 13.9574 6.75751 -30.8229 TIMING: 256800 CPU: 766.824, 0.00296695/step Wall: 766.824, 0.00296695/step, 3.90912 hours remaining, 207.222656 MB of memory in use. ENERGY: 256800 729.0482 2063.5791 1930.9345 111.3360 -206463.1902 18024.8868 0.0000 0.0000 34186.4750 -149416.9306 298.5590 -183603.4056 -149325.0410 298.6183 50.3262 81.5027 558899.4388 11.7344 11.7430 PRESSURE: 257000 16.5913 28.668 138.714 28.6682 -62.0355 16.3667 138.715 16.3693 1.46086 GPRESSURE: 257000 57.9876 73.2699 175.493 -7.89693 -14.1907 -49.315 128.017 0.0730141 0.013705 PRESSAVG: 257000 7.93045 46.7012 -14.7555 46.7012 -26.7615 -10.5046 -14.7555 -10.5045 13.946 GPRESSAVG: 257000 7.26193 47.1754 -16.8623 48.0324 -25.7323 -10.3742 -13.3693 -11.4872 13.4799 TIMING: 257000 CPU: 767.419, 0.00297723/step Wall: 767.419, 0.00297723/step, 3.9225 hours remaining, 207.222656 MB of memory in use. ENERGY: 257000 755.7962 2109.7533 1987.3525 115.9314 -206700.6420 17876.4806 0.0000 0.0000 34257.3399 -149597.9881 299.1779 -183855.3280 -149499.9493 298.8992 -14.6611 14.6035 556440.1853 -1.6283 -1.6635 PRESSURE: 257200 -229.044 -56.6823 -128.541 -56.6837 14.314 -157.638 -128.542 -157.636 -165.152 GPRESSURE: 257200 -177.946 -100.368 -106.451 -41.7331 56.7368 -157.565 -157.677 -158.381 -167.187 PRESSAVG: 257200 24.8414 35.8868 -54.3701 35.8867 18.0575 1.77397 -54.3701 1.77386 -22.3249 GPRESSAVG: 257200 24.462 36.2019 -53.2245 34.4007 18.1747 0.601672 -55.1984 0.487908 -22.1613 TIMING: 257200 CPU: 768.017, 0.00299019/step Wall: 768.017, 0.00299019/step, 3.9394 hours remaining, 207.292969 MB of memory in use. ENERGY: 257200 738.0277 2055.6220 1957.8040 109.2935 -206392.2309 17729.9633 0.0000 0.0000 34158.9358 -149642.5847 298.3185 -183801.5205 -149547.5989 298.6590 -126.6273 -96.1321 557031.5780 6.8580 6.8251 PRESSURE: 257400 69.1128 220.473 39.1275 220.472 -153.892 -36.808 39.1282 -36.8077 -66.8178 GPRESSURE: 257400 146.421 123.215 79.5249 170.336 -175.106 -78.0012 -54.654 23.4631 -30.8948 PRESSAVG: 257400 -4.00513 -41.3668 22.7986 -41.3667 -23.8691 -32.2308 22.7986 -32.2307 -30.7324 GPRESSAVG: 257400 -5.13547 -40.5269 22.8749 -41.4794 -23.9472 -31.9466 21.8859 -32.2404 -30.1096 TIMING: 257400 CPU: 768.616, 0.00299182/step Wall: 768.616, 0.00299182/step, 3.94139 hours remaining, 207.292969 MB of memory in use. ENERGY: 257400 761.2603 2077.3717 1930.2334 109.2646 -206961.4181 17997.4425 0.0000 0.0000 34319.5311 -149766.3146 299.7210 -184085.8456 -149670.4790 298.6023 -50.5323 -19.8599 555768.4935 -19.5355 -19.7307 PRESSURE: 257600 -99.8188 30.6341 8.17607 30.6351 185.017 -132.691 8.17661 -132.692 -205.058 GPRESSURE: 257600 -36.3553 93.0493 -66.8259 20.1508 196.124 -121.767 -7.60593 -111.73 -189.986 PRESSAVG: 257600 15.4828 -3.20833 76.439 -3.20832 -8.38132 -13.7563 76.4389 -13.7563 -4.60601 GPRESSAVG: 257600 16.1204 -2.44593 74.6705 -3.03377 -8.35882 -13.9698 78.4013 -13.7406 -5.56913 TIMING: 257600 CPU: 769.207, 0.00295568/step Wall: 769.207, 0.00295568/step, 3.89362 hours remaining, 207.292969 MB of memory in use. ENERGY: 257600 708.7238 2116.5365 1925.3748 120.0562 -206340.4688 17795.3321 0.0000 0.0000 34108.9004 -149565.5450 297.8815 -183674.4454 -149468.0423 298.5448 -39.9530 -10.0727 559003.0555 0.8318 0.7308 PRESSURE: 257800 -35.0802 -12.9809 41.6321 -12.9821 -266.09 -97.0037 41.6326 -97.0035 -81.0378 GPRESSURE: 257800 20.2249 46.4169 7.81674 41.7703 -239.671 22.962 93.056 -120.039 -71.0456 PRESSAVG: 257800 -21.767 -78.8081 33.7902 -78.8081 -13.5257 -18.5757 33.7903 -18.5757 42.2862 GPRESSAVG: 257800 -22.6888 -78.0208 35.179 -81.0384 -14.705 -19.1147 32.1914 -17.2981 43.8222 TIMING: 257800 CPU: 769.804, 0.00298423/step Wall: 769.804, 0.00298423/step, 3.93105 hours remaining, 207.292969 MB of memory in use. ENERGY: 257800 739.7772 2100.1964 1959.0648 112.5181 -206427.2795 17724.5752 0.0000 0.0000 34068.6966 -149722.4513 297.5304 -183791.1478 -149631.8465 298.2993 -127.4026 -96.8307 557630.4940 2.3312 2.1428 PRESSURE: 258000 269.501 32.2193 -35.5448 32.2187 -137.646 -0.992394 -35.5441 -0.992078 -133.917 GPRESSURE: 258000 288.758 35.307 -87.1789 3.38657 -43.9143 -18.9351 -33.4436 -6.64455 -154.794 PRESSAVG: 258000 -43.2449 -8.62833 37.6999 -8.62836 -50.2162 -35.6683 37.7 -35.6683 52.5007 GPRESSAVG: 258000 -41.9545 -9.54617 37.7456 -6.42091 -49.7396 -35.3615 36.6674 -37.0868 51.1978 TIMING: 258000 CPU: 770.398, 0.00297029/step Wall: 770.398, 0.00297028/step, 3.91253 hours remaining, 207.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 258000 745.1780 2064.9996 1919.7467 104.2478 -206822.9289 18073.5936 0.0000 0.0000 34011.5016 -149903.6616 297.0309 -183915.1632 -149809.8430 297.9657 -0.6873 30.0167 556073.0929 -13.6535 -13.4988 PRESSURE: 258200 -135.377 41.4742 27.714 41.4736 -30.6716 -49.8465 27.7146 -49.8469 21.7408 GPRESSURE: 258200 -53.3212 -2.565 82.0176 19.1466 -6.25847 -46.3142 45.0282 -60.45 5.91238 PRESSAVG: 258200 34.0827 25.4245 -11.5592 25.4245 -23.1991 -39.9346 -11.5591 -39.9346 2.45768 GPRESSAVG: 258200 31.376 25.9474 -13.8632 24.7878 -22.6761 -39.1491 -9.80095 -40.7399 4.45205 TIMING: 258200 CPU: 770.99, 0.00296312/step Wall: 770.99, 0.00296312/step, 3.90292 hours remaining, 207.492188 MB of memory in use. ENERGY: 258200 762.7571 2119.1387 1929.5280 101.7511 -206597.8098 17878.4248 0.0000 0.0000 34021.3835 -149784.8267 297.1172 -183806.2102 -149687.8695 297.8925 -48.1025 -17.8891 556246.2355 4.4471 4.3840 PRESSURE: 258400 -15.9899 -70.8329 43.2564 -70.8311 -71.6537 -173.126 43.2569 -173.126 58.4184 GPRESSURE: 258400 -11.3172 -7.79897 91.1205 -108.131 -1.50952 -231.896 48.6373 -187.983 72.7146 PRESSAVG: 258400 52.4901 24.1221 19.5107 24.1221 -31.6525 -68.8996 19.5108 -68.8997 18.0477 GPRESSAVG: 258400 54.2238 25.2535 21.0047 22.0154 -31.327 -70.8964 17.8274 -65.3892 15.9832 TIMING: 258400 CPU: 771.581, 0.0029557/step Wall: 771.581, 0.0029557/step, 3.89298 hours remaining, 207.492188 MB of memory in use. ENERGY: 258400 764.9001 2107.6186 1926.8384 121.2575 -206365.6339 17777.9690 0.0000 0.0000 34077.4085 -149589.6419 297.6065 -183667.0504 -149498.7953 297.6156 -9.7417 19.9626 556110.2721 12.9618 12.9600 PRESSURE: 258600 55.1978 157.598 -145.058 157.597 -115.288 -80.3329 -145.058 -80.3328 -121.427 GPRESSURE: 258600 83.3956 77.3885 -32.7172 119.963 -121.514 -5.26505 -189.196 -86.5427 -62.698 PRESSAVG: 258600 47.6071 18.9395 -3.04955 18.9395 11.8172 -32.1685 -3.0495 -32.1685 -21.4387 GPRESSAVG: 258600 47.3568 16.2338 -1.53059 21.3596 10.9311 -31.8948 -4.05861 -33.4084 -19.942 TIMING: 258600 CPU: 772.179, 0.0029881/step Wall: 772.179, 0.0029881/step, 3.93549 hours remaining, 207.492188 MB of memory in use. ENERGY: 258600 755.9340 2056.4812 1944.0638 103.7009 -206039.6471 17634.7354 0.0000 0.0000 34091.7431 -149452.9887 297.7317 -183544.7318 -149359.9365 297.5178 -60.5056 -33.6056 556723.0678 12.6619 12.7820 PRESSURE: 258800 101.566 -135.486 21.2003 -135.486 -118.773 177.424 21.201 177.424 -220.2 GPRESSURE: 258800 67.454 -128.885 57.1375 -143.503 -116.22 136.883 -87.1141 94.5618 -91.8252 PRESSAVG: 258800 -2.02864 18.2009 -61.2705 18.2008 19.5899 54.9686 -61.2705 54.9687 -4.48246 GPRESSAVG: 258800 -1.30338 18.4914 -60.9647 16.5632 19.9964 55.3157 -62.3203 53.391 -5.48362 TIMING: 258800 CPU: 772.78, 0.00300593/step Wall: 772.78, 0.00300593/step, 3.9588 hours remaining, 207.492188 MB of memory in use. ENERGY: 258800 779.5973 2087.6627 1962.0733 109.3147 -205950.0716 17608.9640 0.0000 0.0000 34083.3669 -149319.0926 297.6585 -183402.4595 -149227.5852 298.4658 -79.1357 -46.8637 557169.2068 4.3596 4.4031 PRESSURE: 259000 45.7806 -217.177 65.7433 -217.177 12.0754 -149.08 65.744 -149.082 118.579 GPRESSURE: 259000 97.1042 -179.299 142.991 -134.666 14.9102 -49.7661 7.55663 -197.065 161.093 PRESSAVG: 259000 2.66801 -47.9484 -20.5501 -47.9484 35.9377 -5.88664 -20.5501 -5.88659 -24.5728 GPRESSAVG: 259000 3.80951 -47.0078 -21.2389 -46.5206 35.0709 -5.34084 -18.8097 -6.22617 -24.6938 TIMING: 259000 CPU: 773.379, 0.00299581/step Wall: 773.379, 0.00299581/step, 3.94531 hours remaining, 207.492188 MB of memory in use. ENERGY: 259000 765.1457 2109.5788 1954.0350 118.1112 -206231.5552 17918.0180 0.0000 0.0000 34127.8161 -149238.8504 298.0467 -183366.6664 -149142.9080 298.3121 58.8115 91.0357 557255.9990 4.6777 4.7289 PRESSURE: 259200 -223.964 97.8906 -169.126 97.8911 -364.453 10.8205 -169.125 10.8203 16.6927 GPRESSURE: 259200 -257.965 142.997 -232.187 80.7337 -283.361 62.7266 -78.1191 -135.739 72.29 PRESSAVG: 259200 24.5056 5.77361 -47.8126 5.77359 -46.6601 25.3362 -47.8126 25.336 -3.75413 GPRESSAVG: 259200 21.9969 4.77155 -49.0042 6.66695 -46.159 22.6095 -47.6545 27.3531 -1.70927 TIMING: 259200 CPU: 773.983, 0.00301795/step Wall: 773.983, 0.00301795/step, 3.9743 hours remaining, 207.492188 MB of memory in use. ENERGY: 259200 792.0915 2057.9911 1974.9317 120.4734 -206147.1280 17691.2278 0.0000 0.0000 34231.6038 -149278.8087 298.9531 -183510.4124 -149185.3799 299.1335 -190.5750 -156.3451 559269.9524 -8.6362 -8.6238 PRESSURE: 259400 -212.525 -70.0291 -4.6181 -70.0292 -15.0213 39.346 -4.6176 39.3465 -151.352 GPRESSURE: 259400 -191.972 -102.51 -37.8491 -20.0864 56.0961 83.9568 -1.70283 62.9223 -153.46 PRESSAVG: 259400 -46.7408 -49.6288 -54.4293 -49.6288 11.6069 -9.05185 -54.4292 -9.05188 25.2896 GPRESSAVG: 259400 -46.4296 -50.2307 -53.2202 -49.0419 12.0164 -7.43645 -55.2356 -12.3063 24.0808 TIMING: 259400 CPU: 774.587, 0.00302043/step Wall: 774.587, 0.00302043/step, 3.97741 hours remaining, 207.492188 MB of memory in use. ENERGY: 259400 724.6763 2158.7982 1962.5398 125.9525 -206207.6947 17692.3124 0.0000 0.0000 34484.9226 -149058.4928 301.1654 -183543.4154 -148958.8747 299.3020 -126.2993 -96.4454 558093.3601 -3.2814 -3.4441 PRESSURE: 259600 138.823 -3.90276 -147.7 -3.90288 -183.615 81.7217 -147.702 81.7227 -124.879 GPRESSURE: 259600 174.64 43.375 -154.035 -84.1351 -163.531 12.5269 -105.465 119.659 -72.9383 PRESSAVG: 259600 -15.603 -11.7316 -10.8949 -11.7315 -0.50682 -14.0918 -10.8949 -14.0918 12.7052 GPRESSAVG: 259600 -14.9259 -11.2366 -10.1899 -12.9391 -1.20877 -11.4863 -9.84372 -12.3687 12.1141 TIMING: 259600 CPU: 775.193, 0.00302863/step Wall: 775.193, 0.00302863/step, 3.98803 hours remaining, 207.492188 MB of memory in use. ENERGY: 259600 783.9500 2047.3504 1930.7694 119.5153 -205958.3803 17730.5273 0.0000 0.0000 34262.7051 -149083.5628 299.2247 -183346.2679 -148983.0075 300.1304 -56.5572 -20.6097 558137.8051 -1.1349 -1.3402 PRESSURE: 259800 -128.769 49.9747 24.9053 49.9747 108.312 108.082 24.9056 108.083 86.5979 GPRESSURE: 259800 -117.172 75.0804 -5.00659 -33.858 162.481 41.9698 59.4707 54.3683 133.522 PRESSAVG: 259800 -39.0593 -0.0729426 -71.8226 -0.0730313 31.9393 40.5628 -71.8226 40.5627 18.5176 GPRESSAVG: 259800 -39.1708 0.783829 -72.9532 0.613995 32.2495 39.0001 -71.5209 40.2708 18.3164 TIMING: 259800 CPU: 775.787, 0.00297036/step Wall: 775.787, 0.00297036/step, 3.91114 hours remaining, 207.492188 MB of memory in use. ENERGY: 259800 754.9463 2089.3651 1958.9802 102.8580 -206344.6331 17915.9594 0.0000 0.0000 34505.4157 -149017.1083 301.3444 -183522.5240 -148917.0666 299.5879 22.0471 59.6105 558748.5946 3.7992 3.7983 PRESSURE: 260000 47.013 38.8451 -81.9242 38.8462 125.737 -42.9055 -81.9251 -42.9057 172.217 GPRESSURE: 260000 91.6883 130.957 -24.8024 -12.5049 119.444 -95.8803 -138.346 28.2146 235.121 PRESSAVG: 260000 -48.8487 -15.4917 -45.7776 -15.4917 24.3187 4.10453 -45.7775 4.10456 31.1389 GPRESSAVG: 260000 -48.2979 -13.4609 -45.5124 -17.5458 23.8946 1.99293 -46.9856 4.83324 31.1361 TIMING: 260000 CPU: 776.385, 0.0029904/step Wall: 776.385, 0.0029904/step, 3.93736 hours remaining, 207.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 260000 722.2637 2075.8726 1964.1102 113.0476 -206608.7364 18204.5956 0.0000 0.0000 34398.8843 -149129.9625 300.4140 -183528.8467 -149036.2453 300.4171 114.9890 148.7511 557720.3186 2.2030 2.2443 PRESSURE: 260200 -77.9679 118.435 -121.382 118.435 55.5419 -119.809 -121.382 -119.81 73.2267 GPRESSURE: 260200 8.4527 128.603 -90.9434 24.5123 61.1465 -111.513 -143.276 -173.351 72.9237 PRESSAVG: 260200 -23.3725 -3.51209 -51.0612 -3.51208 7.88925 -23.8912 -51.0611 -23.8912 33.0928 GPRESSAVG: 260200 -23.8655 -6.36361 -50.9926 -2.49326 7.32537 -20.9949 -50.7508 -25.3418 34.258 TIMING: 260200 CPU: 776.987, 0.00301142/step Wall: 776.987, 0.00301142/step, 3.96487 hours remaining, 207.492188 MB of memory in use. ENERGY: 260200 693.6538 2072.6329 1972.7952 120.2964 -206141.8563 17861.8218 0.0000 0.0000 34268.7263 -149151.9300 299.2773 -183420.6562 -149058.0131 299.4888 16.9336 47.5076 556885.9990 5.8699 5.9059 LDB: ============= START OF LOAD BALANCING ============== 780.536 LDB: ============== END OF LOAD BALANCING =============== 780.536 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 780.538 LDB: ============= START OF LOAD BALANCING ============== 780.838 LDB: Largest compute 4773 load 0.028996 is 24.6% of average load 0.118069 LDB: Average compute 0.001733 is 1.5% of average load 0.118069 LDB: TIME 780.84 LOAD: AVG 0.118069 MAX 0.205659 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.801 MB LDB: TIME 780.84 LOAD: AVG 0.118069 MAX 0.205659 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.043 MB LDB: TIME 780.84 LOAD: AVG 0.118069 MAX 0.205659 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.043 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 780.842 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 780.846 PRESSURE: 260400 248.032 -110.501 -156.068 -110.501 -43.3984 -108.237 -156.069 -108.238 19.7126 GPRESSURE: 260400 227.019 -181.356 -199.24 -36.87 71.1863 -108.358 -107.446 -50.2666 15.6905 PRESSAVG: 260400 -6.70271 -15.9994 4.59941 -15.9995 -7.72871 2.62706 4.59939 2.62712 -0.942024 GPRESSAVG: 260400 -6.65404 -14.2472 4.36665 -18.0379 -7.90684 -1.30267 6.07123 4.47773 -0.273208 TIMING: 260400 CPU: 777.596, 0.00304601/step Wall: 777.596, 0.00304601/step, 4.01024 hours remaining, 206.417969 MB of memory in use. ENERGY: 260400 717.8811 2128.9139 1948.8495 130.9102 -206224.6952 17887.1198 0.0000 0.0000 34254.0411 -149156.9796 299.1491 -183411.0207 -149068.5434 299.4548 74.7820 104.6320 557072.7977 -5.1245 -4.9447 PRESSURE: 260600 -245.479 -24.1339 64.7788 -24.1336 138.372 -140.709 64.7794 -140.709 233.168 GPRESSURE: 260600 -171.529 -65.1708 16.3597 -32.1099 181.797 -102.684 121.465 -224.796 221.912 PRESSAVG: 260600 -72.602 61.4698 -29.1724 61.47 74.3315 18.6696 -29.1723 18.6695 -9.21878 GPRESSAVG: 260600 -72.4832 58.9777 -29.0301 63.8602 75.0094 20.6014 -31.809 17.4434 -9.69002 TIMING: 260600 CPU: 778.195, 0.00299077/step Wall: 778.195, 0.00299077/step, 3.93735 hours remaining, 206.417969 MB of memory in use. ENERGY: 260600 733.1848 2120.1928 1974.4690 108.8191 -205983.0365 17671.0293 0.0000 0.0000 34318.7617 -149056.5799 299.7143 -183375.3416 -148965.0462 299.8000 42.0203 77.3934 556298.8680 -2.4964 -2.3879 PRESSURE: 260800 -71.3363 -66.247 15.3702 -66.2472 -179.999 96.2732 15.3691 96.2745 98.7638 GPRESSURE: 260800 1.68675 -69.027 24.9365 -96.976 -160.656 89.9173 38.547 102.086 110.45 PRESSAVG: 260800 -56.4972 2.33367 6.7573 2.3337 81.1807 54.6937 6.75731 54.6937 14.7278 GPRESSAVG: 260800 -54.8371 2.93751 5.68653 0.866956 81.1453 54.0801 7.32113 56.8144 13.2901 TIMING: 260800 CPU: 778.789, 0.00297399/step Wall: 778.789, 0.00297399/step, 3.91509 hours remaining, 206.417969 MB of memory in use. ENERGY: 260800 716.2016 2039.7415 1977.8181 108.5550 -205792.2847 17589.7055 0.0000 0.0000 34280.6377 -149079.6252 299.3813 -183360.2629 -148979.6683 300.0883 -50.8572 -16.1731 557268.5309 13.1371 13.1994 PRESSURE: 261000 177.285 16.4205 113.852 16.4214 68.2405 93.5725 113.85 93.5731 -84.7335 GPRESSURE: 261000 206.817 24.7461 167.601 -90.547 129.983 133.428 116.394 75.7261 -82.4407 PRESSAVG: 261000 13.535 15.3176 -16.2829 15.3175 -36.8888 35.6376 -16.2829 35.6377 32.1786 GPRESSAVG: 261000 12.6214 13.6006 -16.4212 16.1681 -36.3025 37.0261 -15.447 34.5915 32.4744 TIMING: 261000 CPU: 779.388, 0.0029939/step Wall: 779.388, 0.0029939/step, 3.94114 hours remaining, 206.417969 MB of memory in use. ENERGY: 261000 685.2230 2117.5459 1964.3728 117.7956 -206185.5519 17889.3647 0.0000 0.0000 34454.7367 -148956.5132 300.9018 -183411.2499 -148860.2053 299.9518 53.5973 84.7864 557466.7763 2.9416 2.9311 PRESSURE: 261200 -217.598 5.55348 61.1744 5.55282 -12.2106 -268.093 61.1731 -268.091 -236.208 GPRESSURE: 261200 -116.413 -43.2501 30.9333 7.45782 -31.3302 -224.585 31.212 -253.622 -218.507 PRESSAVG: 261200 -93.7093 52.5327 14.7347 52.5327 12.8943 9.76971 14.7348 9.76973 82.9741 GPRESSAVG: 261200 -93.7966 54.0116 16.983 52.6833 11.7717 10.2798 14.7539 8.71149 84.5162 TIMING: 261200 CPU: 779.985, 0.00298282/step Wall: 779.985, 0.00298282/step, 3.92639 hours remaining, 206.417969 MB of memory in use. ENERGY: 261200 736.7702 2103.3438 1959.8334 108.6957 -205744.5526 17470.2022 0.0000 0.0000 34360.8174 -149004.8898 300.0816 -183365.7072 -148913.8303 300.6464 -155.3389 -122.0835 555922.1818 0.7197 0.8304 PRESSURE: 261400 -93.4478 136.059 -94.4201 136.059 -295.264 50.0882 -94.4195 50.0881 237.01 GPRESSURE: 261400 -12.9026 168.222 -53.0142 106.293 -255.366 6.47037 -155.413 -41.9657 223.636 PRESSAVG: 261400 -6.10394 49.6812 -18.352 49.6811 -38.4601 -28.3166 -18.352 -28.3167 39.9982 GPRESSAVG: 261400 -4.64375 49.0172 -19.1873 49.0394 -38.3417 -31.5562 -19.5881 -26.5613 39.2215 TIMING: 261400 CPU: 780.578, 0.00296487/step Wall: 780.578, 0.00296487/step, 3.90259 hours remaining, 206.417969 MB of memory in use. ENERGY: 261400 749.8827 2036.1415 1967.0136 116.3382 -205833.8208 17634.2735 0.0000 0.0000 34190.8798 -149139.2914 298.5975 -183330.1713 -149045.9315 299.5247 -50.5673 -14.8773 556472.1706 -1.5219 -1.2547 PRESSURE: 261600 179.15 92.1335 -67.947 92.1336 -148.283 -45.2579 -67.9479 -45.2575 -129.474 GPRESSURE: 261600 201.109 133.376 -36.3113 116.653 -126.072 -7.6774 -21.6494 -56.9482 -73.7221 PRESSAVG: 261600 -73.4199 31.7296 18.9554 31.7296 29.4943 50.1594 18.9553 50.1593 79.5414 GPRESSAVG: 261600 -74.0092 31.7305 17.4434 31.2451 29.6425 53.0903 21.1096 48.4031 79.7839 TIMING: 261600 CPU: 781.172, 0.00297278/step Wall: 781.172, 0.00297278/step, 3.91284 hours remaining, 206.417969 MB of memory in use. ENERGY: 261600 741.1301 1994.0204 1948.8047 99.5558 -205805.7143 17750.9452 0.0000 0.0000 34158.3208 -149112.9373 298.3131 -183271.2581 -149017.5867 298.9206 -32.8688 0.4382 559617.3918 11.8719 11.8057 PRESSURE: 261800 15.044 18.4696 95.4757 18.4691 90.735 184.01 95.4757 184.011 -93.6068 GPRESSURE: 261800 34.3649 26.3322 95.4836 63.7692 168.217 242.529 115.165 73.7048 -91.7883 PRESSAVG: 261800 33.1687 -12.2531 14.1533 -12.253 -26.7226 35.2949 14.1532 35.2948 3.62234 GPRESSAVG: 261800 33.6594 -13.2269 15.9279 -8.92093 -26.8194 32.9724 13.6773 38.1337 2.77347 TIMING: 261800 CPU: 781.767, 0.00297209/step Wall: 781.767, 0.00297209/step, 3.91176 hours remaining, 206.417969 MB of memory in use. ENERGY: 261800 728.8696 2116.2381 1948.4476 121.3330 -205798.7501 17641.8799 0.0000 0.0000 34226.6736 -149015.3082 298.9101 -183241.9818 -148921.5752 298.9811 4.0574 36.9313 556987.5394 3.3561 3.2045 PRESSURE: 262000 168.876 30.2182 -44.6779 30.2183 412.832 -17.6141 -44.679 -17.6134 249.11 GPRESSURE: 262000 151.379 -17.5395 -74.701 97.1223 452.528 -10.2811 -65.9876 66.8525 319.977 PRESSAVG: 262000 -5.74849 9.33808 -16.2642 9.33821 44.5051 10.0018 -16.2641 10.0018 -31.3459 GPRESSAVG: 262000 -5.58122 8.78117 -16.7538 7.26812 43.2102 11.6231 -17.8753 7.5993 -30.1682 TIMING: 262000 CPU: 782.368, 0.00300816/step Wall: 782.368, 0.00300816/step, 3.95908 hours remaining, 206.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 262000 759.0110 2097.2489 1945.7445 117.3611 -206385.5253 18022.7841 0.0000 0.0000 34427.4550 -149015.9206 300.6635 -183443.3756 -148919.9677 299.2160 276.9390 307.9613 554832.3945 2.4703 2.4869 PRESSURE: 262200 17.7899 18.4282 -37.09 18.4283 265.765 12.0526 -37.0882 12.0538 84.1493 GPRESSURE: 262200 124.826 71.5675 33.5331 -25.0841 264.757 35.0776 -75.8893 -6.78964 70.1899 PRESSAVG: 262200 29.6327 1.19592 52.8588 1.19586 16.3224 -32.3592 52.8588 -32.3592 -28.9924 GPRESSAVG: 262200 29.2638 1.92318 52.1765 0.791048 17.6984 -32.1977 54.5548 -31.7191 -30.1492 TIMING: 262200 CPU: 782.97, 0.00300737/step Wall: 782.97, 0.00300737/step, 3.95786 hours remaining, 206.417969 MB of memory in use. ENERGY: 262200 738.9973 2094.2110 1960.0137 108.7735 -206007.1446 17748.8943 0.0000 0.0000 34302.4396 -149053.8154 299.5717 -183356.2550 -148955.2385 300.2259 122.5680 153.2575 555795.1758 5.6542 5.6043 PRESSURE: 262400 -300.797 164.49 45.6593 164.49 -54.6192 -36.2207 45.6604 -36.2204 -140.085 GPRESSURE: 262400 -249.974 162.041 96.2821 122.77 -56.0046 -103.762 52.7221 -3.19662 -86.2904 PRESSAVG: 262400 -33.8953 6.42109 42.6825 6.42107 71.3259 -25.4152 42.6824 -25.4152 -29.5278 GPRESSAVG: 262400 -32.9051 6.4682 43.5599 7.14435 69.1483 -24.9421 40.709 -24.755 -28.3046 TIMING: 262400 CPU: 783.566, 0.00297957/step Wall: 783.566, 0.00297957/step, 3.92111 hours remaining, 206.417969 MB of memory in use. ENERGY: 262400 799.6102 2010.8098 1941.7498 120.2877 -205778.2911 17556.2152 0.0000 0.0000 34228.7141 -149120.9044 298.9279 -183349.6185 -149028.2769 299.8089 -165.1672 -130.7562 556993.5551 2.6342 2.6462 PRESSURE: 262600 -178.239 -45.1683 -14.5625 -45.169 -259.725 247.033 -14.5618 247.032 -74.4793 GPRESSURE: 262600 -113.349 52.0061 67.7242 -45.8692 -263.983 331.937 -147.681 211.981 -20.9949 PRESSAVG: 262600 -38.1206 7.82005 9.24423 7.82 10.6699 -33.4584 9.24425 -33.4584 2.88559 GPRESSAVG: 262600 -38.6435 7.83501 9.46508 7.85131 12.9703 -35.3156 10.4976 -35.5085 0.54422 TIMING: 262600 CPU: 784.164, 0.00299073/step Wall: 784.164, 0.00299073/step, 3.93564 hours remaining, 206.417969 MB of memory in use. ENERGY: 262600 756.8691 2064.4052 1963.8804 125.2864 -205903.9309 17469.1752 0.0000 0.0000 34067.1294 -149457.1852 297.5167 -183524.3146 -149360.1642 298.6605 -170.8145 -132.7754 556133.1497 -8.1883 -8.3763 PRESSURE: 262800 146.958 -63.9051 32.6907 -63.9047 -102.929 -12.0523 32.6901 -12.0514 56.4356 GPRESSURE: 262800 149.379 6.65301 9.80217 -67.9571 -77.1448 40.149 -25.6467 20.2828 128.43 PRESSAVG: 262800 15.8428 -39.9436 -20.9305 -39.9436 29.0911 -20.0305 -20.9305 -20.0305 19.2944 GPRESSAVG: 262800 15.62 -40.405 -19.8057 -38.8857 28.2024 -19.7581 -22.154 -18.0621 20.4779 TIMING: 262800 CPU: 784.755, 0.00295836/step Wall: 784.755, 0.00295836/step, 3.89287 hours remaining, 206.417969 MB of memory in use. ENERGY: 262800 729.7019 2073.7003 1954.3199 124.8768 -206235.7329 17771.3168 0.0000 0.0000 34117.2970 -149464.5203 297.9548 -183581.8173 -149375.0246 298.5565 33.4881 66.8881 556694.8920 21.4094 21.4334 PRESSURE: 263000 91.1559 -101.68 -62.1489 -101.681 -163.771 8.29051 -62.1484 8.28901 -171.129 GPRESSURE: 263000 115.103 -113.282 -79.7224 -124.682 -105.125 63.895 -90.9984 -40.2807 -163.512 PRESSAVG: 263000 -61.9257 -10.5847 -3.23518 -10.5847 78.3976 40.5625 -3.23519 40.5624 -9.4854 GPRESSAVG: 263000 -61.9685 -10.1643 -3.27139 -11.4827 78.9027 39.3241 -3.34036 41.8512 -10.5528 TIMING: 263000 CPU: 785.351, 0.00297979/step Wall: 785.351, 0.00297979/step, 3.9209 hours remaining, 206.417969 MB of memory in use. ENERGY: 263000 764.5023 2006.7079 1939.1734 117.6227 -205934.4100 17552.1962 0.0000 0.0000 34257.1856 -149297.0219 299.1765 -183554.2075 -149212.3353 298.7187 -81.2482 -51.1777 556594.9337 2.3289 2.1271 PRESSURE: 263200 -207.747 92.1229 -9.74723 92.123 -302.99 105.996 -9.74711 105.996 -87.2956 GPRESSURE: 263200 -190.2 144.221 12.7078 -8.81554 -247.613 131.17 17.5801 -4.53336 -53.5426 PRESSAVG: 263200 41.1398 19.3746 5.7053 19.3747 -47.6397 -21.4492 5.7052 -21.4491 -3.64925 GPRESSAVG: 263200 42.1163 18.66 5.45341 19.648 -48.1834 -21.6189 6.55886 -22.4665 -4.17269 TIMING: 263200 CPU: 785.948, 0.00298042/step Wall: 785.948, 0.00298042/step, 3.92157 hours remaining, 206.417969 MB of memory in use. ENERGY: 263200 759.9590 2035.8176 1946.5556 114.6478 -206114.0208 17555.0830 0.0000 0.0000 34358.2722 -149343.6857 300.0593 -183701.9579 -149244.1516 299.1806 -199.3441 -163.7853 557833.9316 -3.3830 -3.4132 PRESSURE: 263400 -55.8604 25.2105 16.518 25.2095 -18.8364 174.995 16.5185 174.995 139.994 GPRESSURE: 263400 -14.1146 -6.77798 3.50651 4.29195 -24.8962 141.238 -24.5019 196.582 203.611 PRESSAVG: 263400 55.2579 -15.5617 -15.0297 -15.5618 -17.6033 34.8489 -15.0297 34.8488 8.7172 GPRESSAVG: 263400 55.9699 -13.8487 -17.8999 -15.6474 -18.3726 36.4323 -13.6578 34.3207 8.81048 TIMING: 263400 CPU: 786.546, 0.00299033/step Wall: 786.546, 0.00299033/step, 3.93445 hours remaining, 206.417969 MB of memory in use. ENERGY: 263400 739.1070 2092.5465 1961.4454 120.6358 -206504.2182 17983.2306 0.0000 0.0000 34100.7409 -149506.5119 297.8103 -183607.2528 -149407.2436 298.1527 21.7657 54.8668 559114.3534 15.4573 15.4692 PRESSURE: 263600 -38.7318 -81.0357 -193.203 -81.0349 76.8351 -8.75291 -193.203 -8.75427 111.093 GPRESSURE: 263600 -11.0053 -85.291 -173.756 -123.739 75.6337 35.1519 -277.296 25.2377 175.979 PRESSAVG: 263600 -46.041 -6.84656 5.52703 -6.8466 1.90464 -1.51915 5.5271 -1.51914 26.2881 GPRESSAVG: 263600 -46.2385 -6.59901 8.49985 -8.34489 1.82714 -1.90866 2.94985 -1.7917 27.2372 TIMING: 263600 CPU: 787.144, 0.00299329/step Wall: 787.144, 0.00299329/step, 3.93817 hours remaining, 206.417969 MB of memory in use. ENERGY: 263600 767.5822 2042.0625 1970.4363 110.0502 -206677.7814 18155.3986 0.0000 0.0000 34093.3116 -149538.9400 297.7454 -183632.2517 -149459.4512 297.3205 49.7320 80.2024 557993.7239 -5.9494 -5.7247 PRESSURE: 263800 122.403 -93.3441 -55.802 -93.3435 -92.5466 124.817 -55.8016 124.816 272.847 GPRESSURE: 263800 204.412 -125.96 -92.8552 -64.9053 -111.528 84.6149 -27.4428 183.154 311.026 PRESSAVG: 263800 -4.52266 -25.6865 19.1618 -25.6865 -67.3065 -35.383 19.1618 -35.3829 42.9689 GPRESSAVG: 263800 -5.92413 -27.6287 18.2948 -23.1781 -67.3085 -37.4166 19.6541 -34.8178 44.3929 TIMING: 263800 CPU: 787.741, 0.00298266/step Wall: 787.741, 0.00298266/step, 3.92402 hours remaining, 206.417969 MB of memory in use. ENERGY: 263800 751.7361 2032.0306 1951.0680 107.5243 -206737.7240 18071.9365 0.0000 0.0000 34214.6786 -149608.7499 298.8053 -183823.4285 -149515.3058 298.0617 100.9011 134.6366 556959.4935 -9.6201 -9.6133 PRESSURE: 264000 -116.7 50.7346 58.5564 50.7334 -123.548 -57.9137 58.556 -57.915 -78.2123 GPRESSURE: 264000 -119.038 5.45678 5.89022 80.7158 -58.2828 -88.3384 -0.969953 -37.4484 -47.7141 PRESSAVG: 264000 -26.5658 3.21859 29.5107 3.21865 -14.1967 -1.0676 29.5107 -1.06765 49.7192 GPRESSAVG: 264000 -26.2996 5.56501 27.4623 0.36806 -14.2527 0.878823 29.5 -1.38467 49.752 TIMING: 264000 CPU: 788.339, 0.00299132/step Wall: 788.339, 0.00299132/step, 3.93525 hours remaining, 206.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 264000 714.3519 2071.5494 1948.1218 109.6941 -206216.9688 17721.5602 0.0000 0.0000 34146.7105 -149504.9808 298.2117 -183651.6914 -149407.9130 298.5393 -106.1534 -75.0117 558051.3513 2.9856 3.0666 PRESSURE: 264200 -47.2941 -11.5973 -176.337 -11.5976 58.376 171.864 -176.337 171.865 66.3835 GPRESSURE: 264200 -34.8015 100.344 -273.009 -38.9414 131.469 63.3012 -154.174 166.968 75.3164 PRESSAVG: 264200 -71.1054 -19.4073 -23.6809 -19.4073 34.7988 11.262 -23.6809 11.262 39.268 GPRESSAVG: 264200 -69.0735 -18.1894 -23.375 -18.6985 35.1748 10.2495 -22.0788 11.0847 36.9905 TIMING: 264200 CPU: 788.933, 0.00297164/step Wall: 788.933, 0.00297164/step, 3.90919 hours remaining, 206.417969 MB of memory in use. ENERGY: 264200 774.2344 2054.3724 1951.8397 128.0046 -206422.5295 17851.1039 0.0000 0.0000 34094.5798 -149568.3948 297.7564 -183662.9746 -149469.3281 298.2510 25.8218 57.3280 556526.3582 0.9871 1.0306 LDB: ============= START OF LOAD BALANCING ============== 792.481 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 792.481 LDB: =============== DONE WITH MIGRATION ================ 792.483 LDB: ============= START OF LOAD BALANCING ============== 792.782 LDB: Largest compute 4773 load 0.029138 is 24.7% of average load 0.117959 LDB: Average compute 0.001724 is 1.5% of average load 0.117959 LDB: TIME 792.784 LOAD: AVG 0.117959 MAX 0.205607 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.699 MB LDB: TIME 792.784 LOAD: AVG 0.117959 MAX 0.205607 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.902 MB LDB: TIME 792.784 LOAD: AVG 0.117959 MAX 0.205607 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 792.786 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 792.79 PRESSURE: 264400 -260.029 -53.1338 -3.81293 -53.1335 -212.344 65.7197 -3.81352 65.7212 -143.555 GPRESSURE: 264400 -252.143 -134.84 40.9142 -33.6455 -196.605 72.3855 -0.292422 72.8575 -60.8048 PRESSAVG: 264400 -6.83575 -25.5152 3.00105 -25.5153 24.2568 0.368258 3.00105 0.368161 16.1005 GPRESSAVG: 264400 -8.47613 -26.498 5.74551 -25.3253 24.8309 -1.11719 -0.654072 1.13978 17.0836 TIMING: 264400 CPU: 789.54, 0.00303559/step Wall: 789.54, 0.00303559/step, 3.99315 hours remaining, 206.417969 MB of memory in use. ENERGY: 264400 758.6992 2076.7032 1959.3454 108.1106 -206117.4968 17604.9848 0.0000 0.0000 34031.0723 -149578.5814 297.2018 -183609.6537 -149478.9996 297.9488 -205.3094 -169.8510 558540.4157 11.1738 11.1461 PRESSURE: 264600 -66.0724 151.692 91.0093 151.692 -117.595 -118.465 91.0091 -118.465 118.298 GPRESSURE: 264600 -7.96077 157.617 128.984 114.839 -104.194 -119.836 90.8002 -124.147 140.78 PRESSAVG: 264600 -8.67088 -19.5774 38.2999 -19.5774 5.09245 -42.3791 38.2998 -42.3792 52.5899 GPRESSAVG: 264600 -9.28256 -20.1346 35.588 -19.5199 5.24655 -41.7771 39.2104 -43.8722 53.1039 TIMING: 264600 CPU: 790.135, 0.00297172/step Wall: 790.135, 0.00297172/step, 3.90897 hours remaining, 206.417969 MB of memory in use. ENERGY: 264600 758.6451 2121.6020 1957.3547 134.3655 -206412.5439 17845.6916 0.0000 0.0000 34134.7805 -149460.1046 298.1075 -183594.8850 -149362.7779 297.8555 -21.7898 9.5417 558167.7946 16.3372 16.3560 PRESSURE: 264800 -28.5965 -155.897 80.5777 -155.898 -121.272 -38.7635 80.5787 -38.7638 157.723 GPRESSURE: 264800 -0.403766 -192.381 21.3892 -68.575 -40.5072 -11.6542 116.219 -104.834 144.058 PRESSAVG: 264800 26.3346 -7.08789 55.2294 -7.08791 -31.5249 26.2455 55.2294 26.2455 23.6198 GPRESSAVG: 264800 26.1728 -8.61753 56.8521 -5.35268 -32.2217 27.091 56.8399 26.1145 24.2028 TIMING: 264800 CPU: 790.737, 0.00301189/step Wall: 790.737, 0.00301189/step, 3.96164 hours remaining, 206.417969 MB of memory in use. ENERGY: 264800 743.2985 2093.8731 1977.7839 112.3201 -206294.3103 17810.9887 0.0000 0.0000 34142.1018 -149413.9442 298.1715 -183556.0460 -149319.8780 298.3312 2.6183 34.3823 557135.7737 6.1432 6.0513 PRESSURE: 265000 237.227 -60.5568 -43.1819 -60.556 -208.956 -29.3373 -43.1823 -29.3386 -2.24398 GPRESSURE: 265000 270.695 -186.134 -21.0295 43.9272 -216.366 -22.5914 -70.7504 -57.2779 66.037 PRESSAVG: 265000 55.6984 -5.21134 -3.43568 -5.21136 -55.26 25.9368 -3.43573 25.9368 23.0332 GPRESSAVG: 265000 55.1768 -5.10304 -3.30004 -4.78344 -54.7635 24.8548 -4.6285 27.915 23.221 TIMING: 265000 CPU: 791.336, 0.00299232/step Wall: 791.336, 0.00299232/step, 3.93573 hours remaining, 206.417969 MB of memory in use. ENERGY: 265000 734.2557 2068.9254 1960.4096 102.8990 -206679.1352 18052.7697 0.0000 0.0000 34199.5184 -149560.3574 298.6729 -183759.8758 -149469.4739 298.2452 8.6755 40.1222 556840.3672 7.8239 7.8781 PRESSURE: 265200 70.5189 158.282 57.2735 158.282 53.1943 71.4072 57.2721 71.4076 20.5716 GPRESSURE: 265200 99.6867 74.9838 -34.6804 149.566 100.639 68.3969 37.6336 89.8617 25.7544 PRESSAVG: 265200 108.622 26.8302 -44.0332 26.8302 -46.9729 -40.8727 -44.0334 -40.8728 -45.3432 GPRESSAVG: 265200 108.164 28.0691 -44.3174 25.7289 -46.7355 -39.3545 -43.7199 -40.7048 -45.362 TIMING: 265200 CPU: 791.93, 0.00297012/step Wall: 791.93, 0.00297012/step, 3.90637 hours remaining, 206.417969 MB of memory in use. ENERGY: 265200 745.6478 2058.9127 1947.6990 106.8534 -206229.9473 17918.9437 0.0000 0.0000 34095.6461 -149356.2447 297.7658 -183451.8908 -149256.5534 298.6260 48.0949 75.3601 558325.6062 5.4352 5.3554 PRESSURE: 265400 -124.468 -237.961 -93.9356 -237.961 -90.6134 113.804 -93.9355 113.804 -164.244 GPRESSURE: 265400 -56.4018 -270.566 -83.1568 -260.257 -51.158 28.6241 -67.07 115.277 -166.307 PRESSAVG: 265400 28.8545 -31.9442 -13.7319 -31.9442 20.8255 -16.6482 -13.7319 -16.6482 -36.7257 GPRESSAVG: 265400 29.6479 -33.2369 -16.0434 -31.6332 20.7787 -17.1822 -12.1419 -17.8222 -37.3445 TIMING: 265400 CPU: 792.523, 0.00296746/step Wall: 792.523, 0.00296746/step, 3.9027 hours remaining, 206.417969 MB of memory in use. ENERGY: 265400 714.7087 2000.9410 1956.5791 114.2805 -205814.1138 17460.9480 0.0000 0.0000 34182.0864 -149384.5700 298.5207 -183566.6564 -149288.4089 298.3273 -126.4417 -91.2888 556941.2715 4.3181 4.3607 PRESSURE: 265600 27.2363 11.6794 -62.4312 11.6796 182.527 -241.685 -62.4298 -241.683 -97.0247 GPRESSURE: 265600 8.15627 -71.1507 -89.3324 105.2 261.467 -191.272 -47.5289 -328.466 -74.6854 PRESSAVG: 265600 35.473 19.007 -31.6752 19.007 -32.2568 -29.4833 -31.6752 -29.4832 -58.9088 GPRESSAVG: 265600 36.3927 17.7254 -31.7598 20.1832 -33.255 -29.9975 -30.8772 -29.0455 -58.8522 TIMING: 265600 CPU: 793.119, 0.00297876/step Wall: 793.119, 0.00297876/step, 3.9174 hours remaining, 206.417969 MB of memory in use. ENERGY: 265600 716.9851 2067.4015 1966.5375 104.4987 -206026.5887 17825.3700 0.0000 0.0000 34162.5707 -149183.2250 298.3502 -183345.7958 -149088.6987 298.8762 37.5795 64.9793 556602.0340 -18.5642 -18.5715 PRESSURE: 265800 -109.73 46.9484 -35.527 46.9481 -137.437 -27.5781 -35.5265 -27.5768 209.511 GPRESSURE: 265800 -107.19 53.7662 -17.0564 -18.1638 -43.4677 -11.5976 -41.596 -25.7792 211.913 PRESSAVG: 265800 -54.2861 -8.95911 16.2144 -8.95901 1.79343 -16.633 16.2143 -16.633 41.0193 GPRESSAVG: 265800 -55.5632 -6.31984 17.2308 -10.988 3.4491 -15.5709 15.6853 -16.3477 41.6622 TIMING: 265800 CPU: 793.711, 0.00296225/step Wall: 793.711, 0.00296225/step, 3.89552 hours remaining, 206.417969 MB of memory in use. ENERGY: 265800 722.4234 2067.0871 1945.5142 116.1010 -206244.3139 17846.5330 0.0000 0.0000 34352.5036 -149194.1515 300.0090 -183546.6551 -149097.7265 299.1435 -12.5518 20.4185 557647.9840 -3.8245 -3.4840 PRESSURE: 266000 209.948 107.892 -56.7 107.893 82.466 -89.1554 -56.7007 -89.1554 144.51 GPRESSURE: 266000 213.281 -56.2387 -50.338 146.871 120.794 -86.3281 -49.2093 -127.282 195.892 PRESSAVG: 266000 5.56713 -33.054 64.757 -33.054 -37.89 1.83084 64.757 1.83082 4.98023 GPRESSAVG: 266000 6.27067 -34.582 64.4813 -31.4125 -39.5111 1.53357 64.3644 -0.569639 5.50717 TIMING: 266000 CPU: 794.306, 0.0029726/step Wall: 794.306, 0.0029726/step, 3.90897 hours remaining, 206.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 266000 746.9880 2101.0516 1946.5507 117.0822 -206287.0278 18006.0946 0.0000 0.0000 34255.8221 -149113.4387 299.1646 -183369.2607 -149020.0998 298.7379 145.6412 176.6555 556865.7242 -9.1142 -9.2444 PRESSURE: 266200 -150.037 207.855 71.1133 207.856 -272.621 56.4097 71.1131 56.4094 67.3813 GPRESSURE: 266200 -81.399 202.433 55.1094 216.714 -209.636 92.9772 110.201 67.6574 53.515 PRESSAVG: 266200 -26.958 -9.44605 55.8676 -9.44604 0.361831 -6.79834 55.8675 -6.79841 38.0048 GPRESSAVG: 266200 -27.0169 -7.77229 55.8461 -11.5825 0.989237 -5.68068 56.2008 -4.86494 37.3393 TIMING: 266200 CPU: 794.899, 0.00296656/step Wall: 794.899, 0.00296656/step, 3.90086 hours remaining, 206.417969 MB of memory in use. ENERGY: 266200 748.7964 2054.4482 1935.6492 129.7877 -206164.7827 17754.9005 0.0000 0.0000 34363.8388 -149177.3620 300.1080 -183541.2007 -149080.8494 299.6292 -118.4257 -79.1733 557223.8277 3.8029 3.7706 PRESSURE: 266400 -15.5287 -85.001 135.57 -85.0002 181.222 80.9069 135.569 80.9055 -67.3719 GPRESSURE: 266400 -9.38389 -24.9861 257.841 -100.309 266.391 148.018 3.6442 66.7362 -66.4783 PRESSAVG: 266400 -33.221 63.7087 49.5362 63.7087 2.71774 10.4729 49.5362 10.4728 13.3135 GPRESSAVG: 266400 -32.1838 62.6894 48.8206 64.2968 3.00422 8.44793 48.9764 10.3484 12.0461 TIMING: 266400 CPU: 795.495, 0.00297858/step Wall: 795.495, 0.00297858/step, 3.9165 hours remaining, 206.417969 MB of memory in use. ENERGY: 266400 757.0891 2078.4745 1944.9954 116.6905 -206467.0914 18137.1062 0.0000 0.0000 34316.8612 -149115.8746 299.6977 -183432.7358 -149013.1186 299.7840 32.7737 63.5096 557939.9143 -5.7299 -5.7112 PRESSURE: 266600 -202.091 59.9553 -226.609 59.955 -216.62 83.3033 -226.61 83.3023 -132.479 GPRESSURE: 266600 -178.853 42.8975 -239.674 167.802 -216.443 147.446 -220.489 90.4954 -69.7483 PRESSAVG: 266600 45.7261 -62.4134 1.88803 -62.4135 -69.4033 32.5141 1.88813 32.5142 33.8097 GPRESSAVG: 266600 44.5775 -62.1946 3.21111 -62.6351 -69.4039 32.6138 1.26442 32.9721 34.8582 TIMING: 266600 CPU: 796.088, 0.00296469/step Wall: 796.088, 0.00296469/step, 3.89807 hours remaining, 206.417969 MB of memory in use. ENERGY: 266600 745.6836 2026.9512 1951.9021 114.5458 -206067.3007 17651.0710 0.0000 0.0000 34281.8532 -149295.2938 299.3920 -183577.1470 -149195.9226 299.6356 -183.7302 -155.0149 557292.0332 3.3775 3.3439 PRESSURE: 266800 -126.915 112.165 -48.9985 112.164 218.868 21.6932 -48.9978 21.6919 171.643 GPRESSURE: 266800 -102.484 192.902 -47.6 83.2443 200.002 -3.05959 -77.3975 89.1684 267.694 PRESSAVG: 266800 48.8752 -8.04598 10.1949 -8.04597 -40.7534 -21.3307 10.1949 -21.3307 20.9657 GPRESSAVG: 266800 48.3875 -7.69664 9.59586 -6.05886 -41.4328 -20.2125 9.97713 -22.8171 21.9399 TIMING: 266800 CPU: 796.686, 0.00299109/step Wall: 796.686, 0.00299109/step, 3.93262 hours remaining, 206.417969 MB of memory in use. ENERGY: 266800 756.7284 2063.3511 1957.6243 119.8826 -206610.5215 18088.4878 0.0000 0.0000 34079.5570 -149544.8904 297.6252 -183624.4473 -149459.3779 298.8761 87.8654 121.7371 556684.4677 9.6958 9.6315 PRESSURE: 267000 -95.0387 2.04681 -56.2561 2.04617 -36.33 61.6987 -56.2565 61.7 147.382 GPRESSURE: 267000 -61.974 59.7237 6.83463 -27.245 -2.64378 127.985 -45.6576 -3.70302 192.295 PRESSAVG: 267000 46.6696 -51.2179 23.9757 -51.218 -37.9327 -5.93294 23.9758 -5.93285 46.1613 GPRESSAVG: 267000 46.5181 -52.6824 23.5697 -50.7164 -37.7214 -5.48933 25.1643 -4.98097 46.3759 TIMING: 267000 CPU: 797.285, 0.00299287/step Wall: 797.285, 0.00299287/step, 3.9348 hours remaining, 206.417969 MB of memory in use. ENERGY: 267000 746.5047 2064.5068 1936.7107 108.6712 -206321.0294 17877.6139 0.0000 0.0000 34157.7354 -149429.2867 298.3080 -183587.0221 -149330.5607 298.4318 5.3378 42.5589 556975.6214 18.2994 18.3909 PRESSURE: 267200 67.0057 -106.586 -94.6688 -106.587 -173.893 0.500927 -94.6686 0.499782 -40.9025 GPRESSURE: 267200 68.9983 -121.067 -88.5556 -71.3406 -115.618 21.0301 -65.6501 5.44621 -3.72099 PRESSAVG: 267200 44.8021 -33.9446 24.5943 -33.9446 -25.5662 25.2464 24.5943 25.2464 15.4877 GPRESSAVG: 267200 44.7724 -33.4278 25.608 -33.2102 -25.6768 23.464 25.5112 27.4431 15.5568 TIMING: 267200 CPU: 797.88, 0.00297772/step Wall: 797.88, 0.00297772/step, 3.91471 hours remaining, 206.417969 MB of memory in use. ENERGY: 267200 760.0576 2072.1727 1942.6051 121.0660 -206261.1197 17762.0790 0.0000 0.0000 34321.7202 -149281.4191 299.7401 -183603.1393 -149179.4185 298.4239 -49.2633 -16.7801 557884.7794 11.5745 11.5508 PRESSURE: 267400 126.165 -156.787 61.7647 -156.786 -1.19478 -49.0975 61.7646 -49.0983 -116.524 GPRESSURE: 267400 202.701 -240.244 -24.4091 -82.0599 0.422283 -40.6668 76.1456 -45.4106 -100.047 PRESSAVG: 267400 -19.1312 -12.9834 8.041 -12.9834 47.1642 -16.1744 8.04105 -16.1744 -0.154819 GPRESSAVG: 267400 -18.9324 -12.6303 8.08945 -13.487 47.2569 -15.2913 6.33454 -17.4043 -1.17267 TIMING: 267400 CPU: 798.48, 0.00300032/step Wall: 798.48, 0.00300032/step, 3.94425 hours remaining, 206.417969 MB of memory in use. ENERGY: 267400 746.3329 2094.3454 1903.9552 109.8062 -206413.3313 17938.0562 0.0000 0.0000 34301.6249 -149319.2104 299.5646 -183620.8353 -149224.0033 299.4934 2.8151 34.3590 559441.3053 9.2927 9.0506 PRESSURE: 267600 -160.458 -33.6379 -69.463 -33.6375 -106.054 88.4098 -69.4626 88.4102 -150.87 GPRESSURE: 267600 -124.031 30.0684 -92.4549 -29.3811 -91.5527 130.752 -46.9186 84.4056 -113.161 PRESSAVG: 267600 -5.9143 -25.8475 -28.2844 -25.8475 -19.1389 -6.01183 -28.2844 -6.01184 33.0134 GPRESSAVG: 267600 -5.62 -25.8583 -29.7085 -26.6506 -18.8458 -6.59454 -26.6944 -7.21201 31.7908 TIMING: 267600 CPU: 799.083, 0.00301275/step Wall: 799.083, 0.00301275/step, 3.96042 hours remaining, 206.417969 MB of memory in use. ENERGY: 267600 766.2205 2117.0359 1920.1232 111.9155 -206491.6923 17879.1873 0.0000 0.0000 34231.9831 -149465.2270 298.9564 -183697.2100 -149372.1433 299.2010 -139.1272 -109.5814 558448.3509 2.6534 2.4416 PRESSURE: 267800 -295.045 20.5198 28.9985 20.5191 136.779 36.8028 28.9981 36.8027 279.238 GPRESSURE: 267800 -220.468 37.8279 70.1623 23.6218 152.251 -5.4534 -25.5401 56.6758 283.58 PRESSAVG: 267800 -50.0773 5.4574 17.159 5.45737 -20.8568 -3.31392 17.159 -3.31392 54.9643 GPRESSAVG: 267800 -49.7792 5.435 18.9996 5.05793 -22.6066 -2.76198 15.4334 -1.81119 56.996 TIMING: 267800 CPU: 799.68, 0.00298608/step Wall: 799.68, 0.00298608/step, 3.92521 hours remaining, 206.417969 MB of memory in use. ENERGY: 267800 721.8181 2115.0781 1928.5939 99.4039 -206750.2991 17943.8436 0.0000 0.0000 34265.5850 -149675.9766 299.2499 -183941.5616 -149578.9783 298.8681 40.3239 71.7877 558204.4172 -5.3233 -5.1299 PRESSURE: 268000 59.6147 87.8719 -57.158 87.8712 57.1581 50.0225 -57.158 50.0201 135.536 GPRESSURE: 268000 113.779 112.187 -18.4437 10.0188 81.4168 10.2601 -65.8362 94.6946 150.637 PRESSAVG: 268000 -1.52297 16.0129 72.2278 16.0128 21.743 -5.0635 72.2279 -5.06357 27.4248 GPRESSAVG: 268000 -2.6633 14.6254 72.0403 16.4094 23.3091 -5.82666 72.7363 -5.512 27.3427 TIMING: 268000 CPU: 800.277, 0.00298429/step Wall: 800.277, 0.00298429/step, 3.92268 hours remaining, 206.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 268000 702.2061 2126.6924 1951.1258 114.4738 -206444.7908 17837.7779 0.0000 0.0000 34132.2279 -149580.2869 298.0852 -183712.5148 -149481.6325 298.3294 84.1028 115.2776 556411.6439 15.8816 15.9961 PRESSURE: 268200 19.5445 9.78229 -143.612 9.78196 -327.901 -5.00141 -143.612 -5.00258 -200.957 GPRESSURE: 268200 38.3356 -70.2627 -91.6479 34.2474 -318.889 50.2477 -287.447 -48.4628 -123.914 PRESSAVG: 268200 23.1823 -6.85971 19.193 -6.85969 -32.7928 -19.5342 19.193 -19.5342 -6.11262 GPRESSAVG: 268200 23.86 -6.4177 19.9592 -6.07925 -32.557 -20.8386 17.965 -19.386 -6.77212 TIMING: 268200 CPU: 800.872, 0.00297567/step Wall: 800.872, 0.00297567/step, 3.91119 hours remaining, 206.417969 MB of memory in use. ENERGY: 268200 706.0660 2041.1078 1929.0215 101.7264 -206141.1186 17541.9278 0.0000 0.0000 34093.3222 -149727.9470 297.7455 -183821.2691 -149627.6417 298.1015 -169.7712 -134.8224 557901.7561 -5.2410 -5.1564 LDB: ============= START OF LOAD BALANCING ============== 804.42 LDB: ============== END OF LOAD BALANCING =============== 804.421 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 804.422 LDB: ============= START OF LOAD BALANCING ============== 804.724 LDB: Largest compute 4796 load 0.028443 is 24.1% of average load 0.117967 LDB: Average compute 0.001728 is 1.5% of average load 0.117967 LDB: TIME 804.726 LOAD: AVG 0.117967 MAX 0.207535 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 804.727 LOAD: AVG 0.117967 MAX 0.207535 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.453 MB LDB: TIME 804.727 LOAD: AVG 0.117967 MAX 0.207535 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.453 MB LDB: ============== END OF LOAD BALANCING =============== 804.729 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 804.733 PRESSURE: 268400 46.6896 -105.933 14.0662 -105.933 -135.729 -283.074 14.0669 -283.075 -11.7685 GPRESSURE: 268400 108.707 -69.0691 -53.6363 -39.7441 -95.4972 -209.123 46.8375 -289.119 -36.9061 PRESSAVG: 268400 24.1285 41.2305 -7.87833 41.2304 -12.7881 -50.6292 -7.87829 -50.6294 -6.20807 GPRESSAVG: 268400 23.6652 41.788 -9.17777 41.4926 -12.0864 -48.2076 -6.78189 -51.8966 -6.72815 TIMING: 268400 CPU: 801.483, 0.00305436/step Wall: 801.483, 0.00305436/step, 4.01445 hours remaining, 206.964844 MB of memory in use. ENERGY: 268400 789.1397 2048.2137 1965.4217 124.5740 -206316.6837 17804.6928 0.0000 0.0000 34163.5855 -149421.0563 298.3591 -183584.6418 -149318.1590 298.2875 -33.6028 -7.8986 556326.7530 1.7108 1.6169 PRESSURE: 268600 64.3952 57.1643 -49.8362 57.1641 5.52211 73.1379 -49.8347 73.137 -244.47 GPRESSURE: 268600 124.414 75.5427 -13.0815 117.232 37.0017 -0.0252898 -47.1338 74.516 -229.021 PRESSAVG: 268600 12.254 -1.57305 8.2986 -1.57303 22.0406 8.29144 8.29876 8.29138 -7.95408 GPRESSAVG: 268600 13.3069 -0.89937 8.05059 -1.29088 20.7669 5.65228 9.69948 8.35656 -7.4221 TIMING: 268600 CPU: 802.076, 0.00296369/step Wall: 802.076, 0.0029637/step, 3.89512 hours remaining, 207.167969 MB of memory in use. ENERGY: 268600 783.7586 2081.2025 1920.1115 109.9196 -206406.8478 17725.1022 0.0000 0.0000 34347.9920 -149438.7615 299.9696 -183786.7536 -149342.3372 299.0959 -58.1843 -22.5351 555878.3704 8.7802 8.8839 PRESSURE: 268800 -74.2141 168.656 -17.6764 168.656 220.597 -22.035 -17.6771 -22.0362 -104.92 GPRESSURE: 268800 -117.908 49.1024 -15.1656 176.513 277.815 -9.99571 -79.438 27.3457 -31.3328 PRESSAVG: 268800 -29.9289 37.8351 5.19386 37.8351 -0.645868 24.752 5.1938 24.7519 13.1138 GPRESSAVG: 268800 -29.3059 36.4903 5.75663 35.9289 -0.722569 28.0924 3.91882 24.011 12.3132 TIMING: 268800 CPU: 802.675, 0.00299789/step Wall: 802.675, 0.00299789/step, 3.93989 hours remaining, 207.167969 MB of memory in use. ENERGY: 268800 764.8698 2065.4986 1911.6312 107.5688 -206344.3823 17814.0070 0.0000 0.0000 34267.9462 -149412.8605 299.2705 -183680.8068 -149316.3489 299.1931 13.8207 42.8580 555885.9831 -5.8203 -5.9051 PRESSURE: 269000 54.6002 361.825 -81.9468 361.824 230.091 64.8965 -81.9466 64.8962 -15.4063 GPRESSURE: 269000 24.2331 347.981 -104.901 339.362 257.086 42.6271 -69.7481 39.6893 80.839 PRESSAVG: 269000 -35.1911 25.0448 -52.6983 25.0447 116.166 38.1974 -52.6983 38.1972 -54.0533 GPRESSAVG: 269000 -36.1903 26.068 -54.1843 24.9373 116.487 36.851 -52.8337 38.8386 -53.5521 TIMING: 269000 CPU: 803.269, 0.00297071/step Wall: 803.269, 0.00297071/step, 3.904 hours remaining, 207.167969 MB of memory in use. ENERGY: 269000 741.4014 2115.4796 1960.6162 111.7435 -206202.9952 17749.0418 0.0000 0.0000 34195.0497 -149329.6631 298.6339 -183524.7128 -149242.2083 298.8442 89.7616 120.7192 555530.6580 8.9740 8.9149 PRESSURE: 269200 -49.6125 51.7782 -11.1365 51.7781 -93.805 -62.0736 -11.1363 -62.0732 -326.931 GPRESSURE: 269200 13.6556 35.5923 11.7871 15.1974 -51.8273 -63.1151 -80.4774 -26.8306 -339.91 PRESSAVG: 269200 -3.27986 59.3868 7.8254 59.3869 26.0164 3.02484 7.82544 3.02473 -32.1804 GPRESSAVG: 269200 -3.42999 58.6302 8.73057 57.356 25.6818 3.88594 9.56495 2.24612 -31.4395 TIMING: 269200 CPU: 803.864, 0.00297341/step Wall: 803.864, 0.00297341/step, 3.9074 hours remaining, 207.167969 MB of memory in use. ENERGY: 269200 800.0617 2095.8941 1948.0403 114.0767 -206161.4046 17621.4555 0.0000 0.0000 34300.7285 -149281.1479 299.5568 -183581.8764 -149175.7670 299.2750 -156.7828 -126.0272 556260.1191 -3.1480 -3.0625 PRESSURE: 269400 -262.007 81.9644 -95.1956 81.9639 -34.9941 -60.5322 -95.1949 -60.5338 128.204 GPRESSURE: 269400 -192.644 163.442 -81.4959 -5.54148 -64.604 -126.988 -80.8731 22.3377 177.526 PRESSAVG: 269400 40.347 19.2247 -34.8561 19.2247 41.9106 14.9661 -34.8561 14.9661 -49.5894 GPRESSAVG: 269400 41.053 20.069 -35.282 21.2468 41.8668 13.5202 -36.0935 14.7331 -50.6934 TIMING: 269400 CPU: 804.46, 0.00298209/step Wall: 804.46, 0.00298209/step, 3.91863 hours remaining, 207.167969 MB of memory in use. ENERGY: 269400 713.3559 2133.4868 1946.4123 120.1846 -205934.1873 17600.2748 0.0000 0.0000 34122.7277 -149297.7453 298.0023 -183420.4729 -149197.9365 299.0260 -56.2655 -26.5742 556543.0821 10.8894 10.7422 PRESSURE: 269600 -10.1988 102.438 -87.8568 102.44 83.5534 -53.44 -87.8571 -53.4409 40.5943 GPRESSURE: 269600 43.7026 93.8107 -50.1526 1.09445 93.1499 -67.0077 -38.4687 -96.9397 75.136 PRESSAVG: 269600 -56.642 36.9987 -24.8365 36.9987 23.5358 -48.8467 -24.8366 -48.8468 49.7693 GPRESSAVG: 269600 -58.3346 38.081 -25.8391 36.9824 24.6859 -50.2744 -25.4614 -47.5917 50.392 TIMING: 269600 CPU: 805.055, 0.00297447/step Wall: 805.055, 0.00297447/step, 3.90846 hours remaining, 207.167969 MB of memory in use. ENERGY: 269600 724.0946 2044.7437 1922.0907 105.8887 -206189.6290 17796.8496 0.0000 0.0000 34391.4158 -149204.5458 300.3488 -183595.9616 -149102.5142 299.2302 37.9830 70.6628 557427.4682 5.5544 5.5811 PRESSURE: 269800 -257.954 16.1243 -20.4282 16.124 109.429 9.67979 -20.4271 9.68127 -112.639 GPRESSURE: 269800 -235.132 -65.8416 -74.4471 -28.4012 140.632 15.9451 12.0641 -18.0154 -65.2092 PRESSAVG: 269800 -56.2569 -20.617 -11.1766 -20.617 46.7402 -55.9086 -11.1765 -55.9086 -1.36584 GPRESSAVG: 269800 -56.1802 -22.3431 -9.82677 -19.0778 47.1522 -54.3177 -10.8762 -55.2017 -2.21151 TIMING: 269800 CPU: 805.652, 0.00298554/step Wall: 805.652, 0.00298554/step, 3.92283 hours remaining, 207.167969 MB of memory in use. ENERGY: 269800 747.7366 2084.6537 1913.9699 120.3541 -205915.5894 17850.8907 0.0000 0.0000 33982.8973 -149215.0871 296.7811 -183197.9844 -149118.6531 299.5566 -87.0547 -53.2362 560723.1908 -3.6275 -3.7465 PRESSURE: 270000 -22.1575 -160.999 87.9469 -161 27.2431 -150.583 87.9462 -150.584 1.40144 GPRESSURE: 270000 -17.5344 -150.151 36.575 -77.0254 78.5158 -77.8246 54.9597 -263.089 37.2502 PRESSAVG: 270000 -32.021 -76.3954 -22.5956 -76.3954 58.2525 -16.3705 -22.5956 -16.3705 -44.9353 GPRESSAVG: 270000 -33.1676 -74.8851 -22.8791 -76.202 58.5008 -16.438 -21.2208 -17.7254 -44.2759 TIMING: 270000 CPU: 806.251, 0.0029913/step Wall: 806.251, 0.0029913/step, 3.93024 hours remaining, 207.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 270000 752.1177 2092.3382 1911.2076 109.1071 -206009.8078 17743.4351 0.0000 0.0000 34203.7028 -149197.8993 298.7094 -183401.6021 -149105.7796 298.7389 2.1623 32.7439 557379.1622 -6.2346 -6.3142 PRESSURE: 270200 -235.98 161.214 44.9868 161.215 -125.599 22.433 44.9883 22.4324 -248.274 GPRESSURE: 270200 -180.186 195.578 80.3265 176.435 -156.657 41.5391 64.0971 88.1933 -173.242 PRESSAVG: 270200 -2.66717 -16.5116 24.6027 -16.5115 49.5768 -13.7586 24.6027 -13.7585 -31.7789 GPRESSAVG: 270200 -1.79514 -16.6373 25.0977 -18.6065 48.7179 -13.6833 23.1917 -12.9586 -31.2809 TIMING: 270200 CPU: 806.849, 0.00298899/step Wall: 806.849, 0.00298899/step, 3.92703 hours remaining, 207.167969 MB of memory in use. ENERGY: 270200 743.6805 2143.3676 1914.0775 102.4683 -205961.6988 17581.8436 0.0000 0.0000 34343.4159 -149132.8455 299.9296 -183476.2614 -149033.4146 300.1444 -203.2845 -170.0283 558715.9658 5.0436 5.2139 PRESSURE: 270400 -69.3479 -72.8396 -190.018 -72.8407 22.0712 22.507 -190.019 22.5054 -73.9897 GPRESSURE: 270400 35.825 -145.387 -141.194 -13.1339 23.2937 -25.2692 -158.049 23.756 -80.7323 PRESSAVG: 270400 5.19054 29.3148 21.5084 29.3149 37.719 -5.47036 21.5084 -5.4704 -44.1631 GPRESSAVG: 270400 5.7828 27.2425 22.4047 31.1235 38.0144 -5.00515 22.2202 -6.93708 -44.995 TIMING: 270400 CPU: 807.449, 0.00300328/step Wall: 807.449, 0.00300328/step, 3.94564 hours remaining, 207.167969 MB of memory in use. ENERGY: 270400 750.8815 2106.1605 1949.3281 105.3529 -206354.9741 18024.7885 0.0000 0.0000 34283.8283 -149134.6342 299.4092 -183418.4625 -149038.0433 299.9298 -40.4221 -7.2045 559537.8545 -0.4179 -0.3993 PRESSURE: 270600 165.819 -20.3877 -43.1371 -20.3865 -96.5133 -107.722 -43.136 -107.724 30.6329 GPRESSURE: 270600 197.848 48.1194 -34.9518 -78.8619 -96.6375 -151.979 -51.6644 -141.846 107.281 PRESSAVG: 270600 -10.6569 -3.69701 -36.7412 -3.697 -1.58451 21.4946 -36.7411 21.4948 2.93744 GPRESSAVG: 270600 -10.5005 -5.41604 -38.9215 -3.1436 -2.04832 18.9719 -36.9008 23.4246 2.75777 TIMING: 270600 CPU: 808.044, 0.00297414/step Wall: 808.044, 0.00297414/step, 3.9072 hours remaining, 207.167969 MB of memory in use. ENERGY: 270600 713.4760 2118.2548 1928.3715 107.9136 -206275.9440 17920.0236 0.0000 0.0000 34405.9003 -149082.0040 300.4753 -183487.9044 -148988.0635 299.1759 33.3128 69.4973 558430.0211 -3.1013 -3.2637 PRESSURE: 270800 -72.8458 -166.298 -33.6098 -166.297 -23.7156 -69.4095 -33.6094 -69.4082 72.3177 GPRESSURE: 270800 -13.5381 -113.608 -22.8563 -162.364 -80.2888 -42.0646 -67.9053 -47.7761 166.448 PRESSAVG: 270800 12.5296 8.90291 -2.64295 8.90301 -100.775 5.18935 -2.64296 5.18935 59.097 GPRESSAVG: 270800 12.4965 12.6839 -0.642219 7.62533 -100.868 4.55132 -3.43625 5.09574 59.341 TIMING: 270800 CPU: 808.633, 0.00294544/step Wall: 808.633, 0.00294544/step, 3.86933 hours remaining, 207.167969 MB of memory in use. ENERGY: 270800 773.0637 2055.1846 1945.8183 108.7399 -206150.9453 17786.4091 0.0000 0.0000 34373.3026 -149108.4272 300.1906 -183481.7298 -149008.0620 299.8015 -8.0812 24.2069 558942.0186 -9.7160 -9.6767 PRESSURE: 271000 -15.6946 264.993 210.607 264.991 -240.847 45.0325 210.607 45.0313 -88.4355 GPRESSURE: 271000 -1.24129 327.675 224.499 271.432 -186.666 112.919 97.8472 3.42312 -72.2181 PRESSAVG: 271000 72.8535 10.0041 30.3581 10.0041 -60.1629 -4.04843 30.3581 -4.0485 30.9319 GPRESSAVG: 271000 72.5549 8.23876 29.9413 11.2372 -59.9433 -1.14178 29.375 -5.66462 30.9339 TIMING: 271000 CPU: 809.223, 0.00295132/step Wall: 809.223, 0.00295132/step, 3.87689 hours remaining, 207.167969 MB of memory in use. ENERGY: 271000 760.4345 2149.8877 1946.5775 108.6142 -206203.0522 17748.1426 0.0000 0.0000 34419.5219 -149069.8739 300.5942 -183489.3958 -148972.3262 299.9629 -114.9922 -86.7085 557773.8488 14.5408 14.5152 PRESSURE: 271200 157.94 66.5974 -260.528 66.5973 86.7068 214.294 -260.526 214.293 -103.01 GPRESSURE: 271200 183.24 105.269 -250.225 41.3385 83.1343 228.604 -253.326 162.227 -31.9039 PRESSAVG: 271200 -24.2392 61.0362 3.49734 61.0362 -8.38741 9.52527 3.49733 9.52523 56.309 GPRESSAVG: 271200 -23.6313 60.1303 3.55821 61.7405 -8.86716 7.80624 6.30945 10.1328 56.291 TIMING: 271200 CPU: 809.813, 0.00294853/step Wall: 809.813, 0.00294853/step, 3.87306 hours remaining, 207.167969 MB of memory in use. ENERGY: 271200 740.5650 2024.9772 1928.9471 115.5044 -206284.9741 17807.7614 0.0000 0.0000 34496.8735 -149170.3455 301.2698 -183667.2190 -149071.3078 299.4132 47.2121 78.1568 557581.0848 7.8941 7.9308 PRESSURE: 271400 -108.638 -65.0902 107.371 -65.0905 371.77 37.4126 107.371 37.4115 7.29368 GPRESSURE: 271400 -34.6639 22.5001 81.5971 -75.9705 335.861 28.7262 154.935 12.3573 59.5593 PRESSAVG: 271400 -21.7799 -0.629395 -18.5824 -0.629372 50.1594 -29.8144 -18.5824 -29.8143 -16.1817 GPRESSAVG: 271400 -21.338 1.49681 -19.4688 -1.20876 49.2356 -29.914 -19.8635 -28.9796 -16.1886 TIMING: 271400 CPU: 810.409, 0.00297936/step Wall: 810.409, 0.00297936/step, 3.91339 hours remaining, 207.167969 MB of memory in use. ENERGY: 271400 758.9955 2060.6332 1914.4623 126.4275 -206138.3765 17881.1065 0.0000 0.0000 34321.2328 -149075.5187 299.7359 -183396.7515 -148988.0993 299.9407 90.1419 120.2523 558218.7706 4.0659 3.9030 PRESSURE: 271600 114.795 -178.688 5.80517 -178.688 -320.245 66.9629 5.80477 66.9632 32.4325 GPRESSURE: 271600 192.83 -187.116 -10.9014 -155.524 -267.545 36.8551 -14.0082 72.2325 1.26744 PRESSAVG: 271600 34.7374 -2.9629 9.08026 -2.96291 -5.59704 60.0846 9.08026 60.0847 -63.8564 GPRESSAVG: 271600 34.6504 -4.20554 9.47474 -1.37153 -5.02703 60.3058 8.70615 60.7213 -64.0491 TIMING: 271600 CPU: 811.006, 0.0029829/step Wall: 811.006, 0.0029829/step, 3.91787 hours remaining, 207.167969 MB of memory in use. ENERGY: 271600 752.5453 2049.2588 1898.1706 112.0994 -205921.2381 17697.0979 0.0000 0.0000 34367.5331 -149044.5330 300.1402 -183412.0661 -148948.8909 299.6807 -57.6724 -24.4825 557511.9238 -11.5720 -11.4752 PRESSURE: 271800 84.7078 -62.952 -35.881 -62.9523 -405.631 32.2209 -35.8817 32.2222 -202.891 GPRESSURE: 271800 75.734 47.4541 -32.2489 -85.3075 -332.967 -14.6361 -39.882 87.4231 -172.296 PRESSAVG: 271800 31.8379 -5.39064 -35.1098 -5.39066 -13.4103 -5.16827 -35.1099 -5.16827 -56.8242 GPRESSAVG: 271800 29.9153 -3.43993 -34.9863 -5.87623 -11.8183 -4.96342 -33.9669 -5.1224 -56.8985 TIMING: 271800 CPU: 811.6, 0.00297049/step Wall: 811.6, 0.00297049/step, 3.90141 hours remaining, 207.167969 MB of memory in use. ENERGY: 271800 730.2345 2091.0233 1922.7482 113.0495 -205609.3840 17443.2699 0.0000 0.0000 34406.9410 -148902.1177 300.4844 -183309.0586 -148806.5374 300.2396 -174.6046 -143.1764 556911.5883 -12.7989 -12.9338 PRESSURE: 272000 -87.6912 75.8778 110.615 75.8776 8.90015 40.8628 110.615 40.8627 -43.1724 GPRESSURE: 272000 -45.3868 133.682 -1.89892 144.088 14.3539 27.3643 94.0907 63.0052 12.914 PRESSAVG: 272000 -73.7113 -11.0045 47.8835 -11.0045 23.1866 -33.6357 47.8836 -33.6357 20.8716 GPRESSAVG: 272000 -73.176 -13.2964 46.1205 -12.5856 22.8837 -33.0376 47.5982 -35.5529 20.7994 TIMING: 272000 CPU: 812.198, 0.0029919/step Wall: 812.198, 0.0029919/step, 3.92936 hours remaining, 207.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 272000 763.5493 2027.5526 1915.9084 130.1915 -205540.8133 17564.5696 0.0000 0.0000 34216.1335 -148922.9083 298.8180 -183139.0418 -148817.2391 300.1902 -40.6545 -6.0397 557840.9676 -9.8844 -9.8310 PRESSURE: 272200 -98.0846 105.868 -1.23195 105.868 81.6438 65.4859 -1.23145 65.4862 100.916 GPRESSURE: 272200 -41.3221 66.5698 148.02 102.655 105.778 58.84 -62.4122 10.8168 114.432 PRESSAVG: 272200 -44.6183 -29.4939 15.4107 -29.4939 -19.9932 -57.1421 15.4106 -57.142 64.3544 GPRESSAVG: 272200 -43.7261 -29.1308 19.4247 -29.6383 -20.5572 -59.9642 14.2183 -56.7729 63.8125 TIMING: 272200 CPU: 812.799, 0.00300345/step Wall: 812.799, 0.00300345/step, 3.94437 hours remaining, 207.167969 MB of memory in use. ENERGY: 272200 723.3069 2099.2592 1923.4463 105.5355 -205911.6779 17744.5702 0.0000 0.0000 34224.3439 -149091.2158 298.8897 -183315.5597 -149001.6851 299.8604 28.1584 59.6292 556706.3009 -0.0857 -0.1569 LDB: ============= START OF LOAD BALANCING ============== 816.351 LDB: ============== END OF LOAD BALANCING =============== 816.351 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 816.352 LDB: ============= START OF LOAD BALANCING ============== 816.656 LDB: Largest compute 4796 load 0.028374 is 24.0% of average load 0.118074 LDB: Average compute 0.001730 is 1.5% of average load 0.118074 LDB: TIME 816.658 LOAD: AVG 0.118074 MAX 0.211177 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 816.658 LOAD: AVG 0.118074 MAX 0.211177 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.453 MB LDB: TIME 816.659 LOAD: AVG 0.118074 MAX 0.211177 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.453 MB LDB: ============== END OF LOAD BALANCING =============== 816.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 816.664 PRESSURE: 272400 138.29 -182.007 113.254 -182.006 -24.6269 23.8058 113.255 23.8077 45.4191 GPRESSURE: 272400 169.275 -220.226 151.825 -155.785 24.112 108.073 138.068 -45.3761 50.6846 PRESSAVG: 272400 51.556 -100.146 18.6324 -100.146 -12.4703 20.1873 18.6323 20.1874 -21.5081 GPRESSAVG: 272400 50.3069 -98.3931 15.8594 -101.599 -11.6433 22.212 20.5121 19.7367 -20.9102 TIMING: 272400 CPU: 813.414, 0.00307877/step Wall: 813.414, 0.00307877/step, 4.04311 hours remaining, 207.222656 MB of memory in use. ENERGY: 272400 785.2388 2079.9427 1957.2691 110.2061 -206335.8619 17867.9914 0.0000 0.0000 34451.2810 -149083.9328 300.8716 -183535.2138 -148988.0559 299.7860 53.0275 81.3570 555693.2594 5.8592 5.9178 PRESSURE: 272600 -208.97 44.9068 -52.9695 44.9072 138.559 -22.246 -52.9712 -22.245 -23.8095 GPRESSURE: 272600 -222.198 83.6961 -0.534533 75.5172 146.426 -70.6231 -85.2686 -14.1117 86.0713 PRESSAVG: 272600 -32.5782 4.14848 15.8343 4.14848 22.4427 53.3022 15.8343 53.3022 -33.8863 GPRESSAVG: 272600 -32.4423 2.7499 18.0945 5.5965 22.5861 53.6764 14.5712 52.3705 -34.3051 TIMING: 272600 CPU: 814.014, 0.0029965/step Wall: 814.014, 0.0029965/step, 3.93491 hours remaining, 207.425781 MB of memory in use. ENERGY: 272600 723.9157 2048.0483 1935.8774 106.6686 -206063.8477 17755.8846 0.0000 0.0000 34398.3879 -149095.0652 300.4097 -183493.4531 -149004.9367 299.6791 -31.4068 3.4332 556921.1797 -14.6739 -14.7204 PRESSURE: 272800 -149.418 96.6801 -17.9637 96.6814 -32.1831 72.6144 -17.9631 72.6139 -19.4073 GPRESSURE: 272800 -145.052 2.46772 -14.6199 102.116 14.5789 65.9899 -58.176 156.402 13.8166 PRESSAVG: 272800 -38.3521 2.13129 -16.8465 2.13131 32.1004 7.24969 -16.8465 7.24964 32.3618 GPRESSAVG: 272800 -38.3294 2.32509 -16.5495 3.04463 31.1274 7.08706 -16.2569 8.43806 32.9635 TIMING: 272800 CPU: 814.615, 0.00300389/step Wall: 814.615, 0.00300389/step, 3.94445 hours remaining, 207.425781 MB of memory in use. ENERGY: 272800 752.7883 2070.9421 1990.4226 108.1128 -205677.9847 17603.7479 0.0000 0.0000 34145.2931 -149006.6779 298.1993 -183151.9710 -148916.8249 299.5208 -67.0029 -38.8855 558016.7705 8.7034 8.5872 PRESSURE: 273000 264.139 -33.1018 -175.957 -33.1042 244.217 124.802 -175.958 124.801 -84.6718 GPRESSURE: 273000 308.345 -34.7826 -142.497 -31.9132 268.256 140.637 -287.477 131.172 -57.5223 PRESSAVG: 273000 16.2983 12.0956 -30.0252 12.0956 54.8148 15.6913 -30.0252 15.6914 -14.5568 GPRESSAVG: 273000 17.1863 11.2809 -31.473 12.5381 54.7152 15.9997 -29.3973 15.9191 -14.6362 TIMING: 273000 CPU: 815.221, 0.00303078/step Wall: 815.221, 0.00303078/step, 3.97959 hours remaining, 207.425781 MB of memory in use. ENERGY: 273000 746.4210 2076.9205 1954.4453 113.3151 -206042.5218 17844.7067 0.0000 0.0000 34401.8117 -148904.9015 300.4396 -183306.7132 -148808.6794 299.3683 141.2279 173.0264 557557.1045 18.8521 19.0885 PRESSURE: 273200 264.558 24.4744 28.3925 24.4746 146.85 2.70471 28.3929 2.70529 -51.1114 GPRESSURE: 273200 330.808 13.2998 73.8104 -71.4978 146.46 43.5358 38.9039 -46.2113 -17.502 PRESSAVG: 273200 -32.7214 -39.4358 -8.70235 -39.4358 53.1955 20.8219 -8.70241 20.822 -46.3831 GPRESSAVG: 273200 -32.9916 -37.7039 -7.73391 -40.8202 54.3858 19.8542 -8.63852 21.8328 -46.8359 TIMING: 273200 CPU: 815.817, 0.00298287/step Wall: 815.817, 0.00298287/step, 3.9165 hours remaining, 207.425781 MB of memory in use. ENERGY: 273200 719.5230 2049.2384 1945.6955 110.2696 -205928.9604 17810.4011 0.0000 0.0000 34282.1514 -149011.6815 299.3946 -183293.8329 -148919.9054 299.6482 120.0990 153.2552 556448.9186 -8.6363 -8.4806 PRESSURE: 273400 -164.684 173.304 61.0619 173.305 173.596 71.7884 61.0618 71.7873 71.1021 GPRESSURE: 273400 -86.3212 179.912 116.194 124.099 212.337 125.798 -50.1919 6.26826 54.2622 PRESSAVG: 273400 29.7601 -23.5669 35.6594 -23.567 20.2797 16.83 35.6593 16.8299 -46.3538 GPRESSAVG: 273400 29.4337 -23.5537 36.5145 -24.2201 20.2806 17.7537 35.3614 15.4553 -45.4038 TIMING: 273400 CPU: 816.411, 0.00297115/step Wall: 816.411, 0.00297115/step, 3.90095 hours remaining, 207.425781 MB of memory in use. ENERGY: 273400 719.3183 2115.7128 1950.1260 106.1174 -206005.8984 18004.7796 0.0000 0.0000 34158.1241 -148951.7203 298.3114 -183109.8444 -148856.3160 299.7747 26.6712 60.0927 559198.3764 1.2287 1.4368 PRESSURE: 273600 154.389 -57.2766 8.92479 -57.277 99.0799 -85.9447 8.92512 -85.9433 -37.6252 GPRESSURE: 273600 135.907 -115.136 -59.4555 -6.57169 104.57 -58.1121 41.6024 -140.191 73.1642 PRESSAVG: 273600 -27.773 -37.2031 -8.51887 -37.2031 13.3782 0.198992 -8.51895 0.198962 -43.2443 GPRESSAVG: 273600 -29.4184 -39.2855 -10.4629 -36.8806 14.637 1.00778 -8.48579 0.870012 -43.5563 TIMING: 273600 CPU: 817.004, 0.00296129/step Wall: 817.004, 0.00296129/step, 3.88784 hours remaining, 207.425781 MB of memory in use. ENERGY: 273600 720.8113 2035.9191 1959.0224 116.3271 -206164.4385 17927.2629 0.0000 0.0000 34322.6463 -149082.4495 299.7482 -183405.0958 -148980.9332 300.0506 71.9480 104.5470 557055.1933 -19.2130 -19.4459 PRESSURE: 273800 -8.37474 53.9662 -43.0569 53.9667 48.3047 -202.774 -43.0569 -202.774 -114.733 GPRESSURE: 273800 7.44743 39.4695 0.71913 96.7957 86.1209 -185.367 -97.0303 -173.723 -56.0229 PRESSAVG: 273800 -33.4418 -8.55885 -64.2394 -8.55888 57.4938 -63.0798 -64.2395 -63.0798 -46.0912 GPRESSAVG: 273800 -33.2987 -8.39551 -63.1967 -9.53962 56.4155 -64.0695 -65.033 -62.8703 -45.3493 TIMING: 273800 CPU: 817.597, 0.00296492/step Wall: 817.597, 0.00296492/step, 3.89245 hours remaining, 207.425781 MB of memory in use. ENERGY: 273800 713.1446 2039.6568 1972.4112 125.9589 -206021.7039 17794.3685 0.0000 0.0000 34413.8967 -148962.2672 300.5451 -183376.1638 -148865.5530 299.8221 -24.9343 12.5152 559413.3454 -7.3464 -7.4108 PRESSURE: 274000 -292.584 -100.199 4.80894 -100.2 48.7154 35.0065 4.80825 35.0056 -393.652 GPRESSURE: 274000 -342.93 -47.1775 -26.5422 -80.6786 143.662 137.797 -84.1052 -0.257894 -347.672 PRESSAVG: 274000 -20.7234 -19.9822 -8.18159 -19.9822 38.8235 43.3816 -8.18153 43.3815 -28.9466 GPRESSAVG: 274000 -19.9143 -17.9384 -8.97327 -17.7616 38.7913 43.1318 -7.83587 43.0831 -29.6428 TIMING: 274000 CPU: 818.19, 0.00296783/step Wall: 818.19, 0.00296782/step, 3.89609 hours remaining, 207.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 274000 703.5374 2016.2837 1945.4822 113.2103 -205797.0244 17483.9298 0.0000 0.0000 34212.0564 -149322.5246 298.7824 -183534.5810 -149232.2905 299.4860 -212.5068 -182.3133 559410.6613 -3.6155 -3.5886 PRESSURE: 274200 -168.602 -11.1761 13.7169 -11.175 21.3133 -11.3464 13.7179 -11.3479 -326.201 GPRESSURE: 274200 -107.206 22.1746 50.6549 -46.1387 65.665 -25.6328 46.7411 99.977 -334.564 PRESSAVG: 274200 23.3284 -21.5329 -1.73899 -21.5328 66.4417 -13.8435 -1.73904 -13.8435 -75.1472 GPRESSAVG: 274200 23.8115 -21.3098 -0.781953 -23.489 65.8294 -13.8212 -2.79357 -13.3662 -75.0122 TIMING: 274200 CPU: 818.786, 0.00297925/step Wall: 818.786, 0.00297925/step, 3.91093 hours remaining, 207.425781 MB of memory in use. ENERGY: 274200 722.5235 2031.1149 1943.0800 118.9080 -205669.4784 17647.2118 0.0000 0.0000 34148.0265 -149058.6137 298.2232 -183206.6402 -148966.0090 299.0067 -157.8300 -125.3686 559681.9996 4.8743 4.8763 PRESSURE: 274400 206.114 -20.236 -0.0588479 -20.2356 -306.559 99.5421 -0.0593544 99.543 -159.636 GPRESSURE: 274400 237.385 82.2131 9.74085 -73.7355 -257.822 88.1084 58.7526 20.8109 -149.078 PRESSAVG: 274400 -12.9317 -23.1931 30.1344 -23.1932 42.3715 -2.04514 30.1343 -2.04517 -66.3808 GPRESSAVG: 274400 -12.7073 -20.7604 29.2208 -22.6912 42.9281 -1.37161 30.6478 -3.54295 -66.6965 TIMING: 274400 CPU: 819.39, 0.00302074/step Wall: 819.39, 0.00302074/step, 3.96522 hours remaining, 207.425781 MB of memory in use. ENERGY: 274400 745.5755 2041.4031 1967.0403 105.7154 -205838.0748 17615.9381 0.0000 0.0000 34052.1758 -149310.2268 297.3861 -183362.4026 -149209.9212 298.7906 -86.6936 -56.5050 557899.9636 -12.3137 -12.1586 PRESSURE: 274600 20.8208 108.059 -22.8224 108.06 107.966 -6.1254 -22.8227 -6.12603 81.2225 GPRESSURE: 274600 6.54872 159.972 -5.74959 155.434 167.664 -48.4129 -6.10372 3.11746 127.698 PRESSAVG: 274600 57.8016 29.8751 57.2404 29.8752 -18.9522 -42.8592 57.2404 -42.8591 -53.1922 GPRESSAVG: 274600 56.6645 28.5643 56.8894 30.3689 -17.4132 -44.0555 56.0839 -41.4442 -53.9495 TIMING: 274600 CPU: 819.995, 0.00302156/step Wall: 819.995, 0.00302156/step, 3.96613 hours remaining, 207.425781 MB of memory in use. ENERGY: 274600 753.1947 2041.8232 1936.5909 111.1581 -206282.9404 18035.4055 0.0000 0.0000 34279.7982 -149124.9698 299.3740 -183404.7680 -149026.4592 298.8710 70.0032 100.6370 556635.6969 -4.7809 -4.8994 PRESSURE: 274800 -193.109 258.302 90.652 258.303 -270.793 0.850723 90.6525 0.851083 -236.698 GPRESSURE: 274800 -100.115 262.611 82.6679 205.929 -247.826 5.37867 116.538 -16.9231 -255.211 PRESSAVG: 274800 3.96618 35.6439 29.6036 35.6439 14.7192 -43.6752 29.6035 -43.6751 -6.6363 GPRESSAVG: 274800 4.81925 34.7822 28.1601 35.1619 13.3869 -41.9069 33.9394 -42.8852 -6.77499 TIMING: 274800 CPU: 820.596, 0.00300578/step Wall: 820.596, 0.00300578/step, 3.94525 hours remaining, 207.425781 MB of memory in use. ENERGY: 274800 750.2785 2093.3628 1934.5613 113.0955 -205949.1160 17499.3812 0.0000 0.0000 34217.3589 -149341.0779 298.8287 -183558.4368 -149239.7135 298.6229 -233.5334 -201.0507 557683.8620 4.0164 3.8104 PRESSURE: 275000 -110.684 20.2501 -4.53504 20.2491 -188.153 18.8178 -4.53415 18.8173 -99.8079 GPRESSURE: 275000 -49.7038 -14.7971 -70.8076 19.1235 -169.981 25.0819 8.67006 -25.061 -72.4319 PRESSAVG: 275000 1.31573 11.355 57.1669 11.3551 -43.8414 -8.05221 57.1669 -8.0522 49.0577 GPRESSAVG: 275000 0.682221 11.0856 60.39 12.2571 -43.572 -7.37758 53.979 -11.1637 49.2941 TIMING: 275000 CPU: 821.199, 0.00301451/step Wall: 821.199, 0.00301451/step, 3.95654 hours remaining, 207.425781 MB of memory in use. ENERGY: 275000 748.0345 2044.9607 1932.6181 130.2082 -205877.2689 17638.6481 0.0000 0.0000 34198.9668 -149183.8324 298.6681 -183382.7993 -149090.9550 298.4746 -132.8816 -97.3721 558278.3184 2.1773 2.1348 PRESSURE: 275200 -67.9933 -18.0724 246.596 -18.0735 -96.2511 46.1475 246.596 46.1478 -109.907 GPRESSURE: 275200 -27.0807 22.0985 184.382 30.5521 -51.8494 25.3676 273.692 104.657 -93.3671 PRESSAVG: 275200 -52.6189 9.62203 88.4199 9.622 23.6016 -13.1243 88.42 -13.1243 58.267 GPRESSAVG: 275200 -52.9097 11.9323 86.4266 8.18023 24.1957 -15.0737 89.0415 -10.1266 58.2849 TIMING: 275200 CPU: 821.799, 0.00300134/step Wall: 821.799, 0.00300134/step, 3.93909 hours remaining, 207.425781 MB of memory in use. ENERGY: 275200 711.7251 2051.7679 1956.6706 120.0978 -206052.5293 17689.3685 0.0000 0.0000 34255.8046 -149267.0949 299.1645 -183522.8995 -149171.1988 298.9328 -91.3839 -57.4324 558554.8344 9.7499 9.8570 PRESSURE: 275400 -65.25 153.115 -111.621 153.117 -61.8072 -62.1335 -111.622 -62.133 -145.264 GPRESSURE: 275400 -54.1165 207.303 -76.5734 119.859 -41.6711 -3.89555 -61.0839 -175.803 -85.7585 PRESSAVG: 275400 23.2285 67.764 12.0122 67.7642 -40.1195 -53.7816 12.0122 -53.7816 12.7479 GPRESSAVG: 275400 24.0815 65.8901 13.3457 69.981 -41.4432 -53.7564 12.0127 -54.3337 13.0813 TIMING: 275400 CPU: 822.396, 0.00298726/step Wall: 822.396, 0.00298726/step, 3.92045 hours remaining, 207.425781 MB of memory in use. ENERGY: 275400 701.3098 2131.3174 1969.4174 102.6947 -206108.4443 17764.0205 0.0000 0.0000 34245.5241 -149194.1605 299.0747 -183439.6846 -149093.6228 299.1505 -90.7737 -60.5154 558858.6888 -1.3811 -1.4268 PRESSURE: 275600 70.9648 -77.9319 -133.734 -77.9328 233.848 79.4894 -133.734 79.4898 -94.1489 GPRESSURE: 275600 119.794 -65.5377 -144.744 -98.0569 242.851 68.4079 -187.694 37.4038 -55.8793 PRESSAVG: 275600 -69.3961 61.2003 19.1285 61.2003 6.95995 -32.481 19.1286 -32.4809 68.1713 GPRESSAVG: 275600 -70.7594 61.066 17.7962 60.0676 8.55548 -33.8049 19.1696 -33.4359 68.2105 TIMING: 275600 CPU: 822.996, 0.00299875/step Wall: 822.996, 0.00299875/step, 3.93536 hours remaining, 207.425781 MB of memory in use. ENERGY: 275600 714.5931 2054.3054 1931.7849 108.2319 -205782.0488 17709.8332 0.0000 0.0000 34234.0249 -149029.2754 298.9743 -183263.3003 -148930.2398 299.5807 70.2213 102.2553 557846.8023 1.9117 2.0022 PRESSURE: 275800 -132.721 184.107 -70.3245 184.109 -303.89 -87.676 -70.3254 -87.6745 -258.341 GPRESSURE: 275800 -127.92 306.415 -96.3029 97.2648 -256.402 -41.1914 -46.5284 -50.0815 -220.02 PRESSAVG: 275800 11.829 65.4954 -74.9281 65.4953 31.7054 32.5848 -74.9282 32.5849 -14.3772 GPRESSAVG: 275800 12.994 65.1535 -73.6641 67.0736 29.2088 33.6248 -76.3854 34.4265 -13.1075 TIMING: 275800 CPU: 823.599, 0.00301316/step Wall: 823.599, 0.00301316/step, 3.95411 hours remaining, 207.425781 MB of memory in use. ENERGY: 275800 733.5143 2028.1211 1959.0557 131.7263 -205789.4517 17443.7609 0.0000 0.0000 34397.7711 -149095.5022 300.4043 -183493.2733 -148995.5870 299.6602 -231.6507 -201.4475 557889.6816 9.7191 9.6985 PRESSURE: 276000 -185.388 -139.51 -53.5373 -139.509 -69.7272 -158.089 -53.5377 -158.089 77.4572 GPRESSURE: 276000 -137.854 -151.814 -75.336 -131.405 -43.6652 -182.388 -51.9454 -117.825 100.84 PRESSAVG: 276000 -61.9981 74.0822 -72.7081 74.0822 13.6914 -31.2504 -72.708 -31.2503 53.1471 GPRESSAVG: 276000 -62.1367 76.0959 -73.641 71.4017 14.6714 -31.1029 -71.8242 -31.85 52.3596 TIMING: 276000 CPU: 824.201, 0.00301163/step Wall: 824.201, 0.00301163/step, 3.95193 hours remaining, 207.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 276000 745.8200 2088.1759 1951.7941 100.4733 -206005.9333 17850.8439 0.0000 0.0000 34342.9799 -148925.8462 299.9258 -183268.8261 -148836.9498 299.4516 -59.2194 -26.8928 558239.1475 1.6135 1.6314 PRESSURE: 276200 88.8216 91.8089 24.1754 91.8084 -13.905 8.01248 24.1759 8.01513 57.9827 GPRESSURE: 276200 83.21 118.918 14.4154 35.7961 50.7884 0.0382119 7.85355 6.52467 84.6474 PRESSAVG: 276200 -29.0779 -2.23537 -55.8227 -2.23536 -42.0732 -13.0798 -55.8228 -13.0798 46.19 GPRESSAVG: 276200 -29.2661 -3.03961 -56.9738 -1.59072 -40.9586 -13.2309 -56.1966 -12.1014 45.0952 TIMING: 276200 CPU: 824.807, 0.00302727/step Wall: 824.807, 0.00302727/step, 3.97229 hours remaining, 207.425781 MB of memory in use. ENERGY: 276200 727.9051 2077.1233 1949.5630 101.6267 -206250.5926 18080.0822 0.0000 0.0000 34512.0511 -148802.2410 301.4023 -183314.2922 -148705.6349 300.8688 44.2998 72.8819 558219.4656 -8.3204 -8.3765 LDB: ============= START OF LOAD BALANCING ============== 828.36 LDB: ============== END OF LOAD BALANCING =============== 828.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 828.362 LDB: ============= START OF LOAD BALANCING ============== 828.66 LDB: Largest compute 4796 load 0.028226 is 23.9% of average load 0.117942 LDB: Average compute 0.001725 is 1.5% of average load 0.117942 LDB: TIME 828.662 LOAD: AVG 0.117942 MAX 0.206388 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 828.663 LOAD: AVG 0.117942 MAX 0.206388 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.453 MB LDB: TIME 828.663 LOAD: AVG 0.117942 MAX 0.206388 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.453 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 828.665 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 828.669 PRESSURE: 276400 -77.1277 292.948 -23.4495 292.948 -115.408 11.6362 -23.4497 11.6359 118.678 GPRESSURE: 276400 -59.5879 294.627 -41.6482 225.41 -87.9145 -27.5081 -54.9501 -16.8225 177.33 PRESSAVG: 276400 -21.3366 21.3596 38.607 21.3596 66.5334 4.23117 38.607 4.23128 -20.7418 GPRESSAVG: 276400 -22.0645 22.7507 37.8297 19.9139 66.8057 3.96671 39.6232 2.81727 -19.5616 TIMING: 276400 CPU: 825.419, 0.00306162/step Wall: 825.419, 0.00306162/step, 4.01719 hours remaining, 207.734375 MB of memory in use. ENERGY: 276400 750.7719 2098.2607 1925.5717 110.6785 -205896.8350 17736.2514 0.0000 0.0000 34392.1810 -148883.1199 300.3555 -183275.3008 -148791.2851 301.3329 -24.6194 9.9424 558462.5393 8.1516 8.3932 PRESSURE: 276600 180.766 80.5154 98.4802 80.516 -87.7256 38.7848 98.4813 38.7851 -20.0639 GPRESSURE: 276600 168.701 136.248 125.51 32.0241 -4.81687 -27.9865 139.191 47.4062 15.0775 PRESSAVG: 276600 54.9036 33.0532 -2.17327 33.0533 -31.7057 -40.2574 -2.17328 -40.2574 23.4454 GPRESSAVG: 276600 54.7399 32.0073 -0.8941 35.5353 -31.8076 -36.868 -5.46309 -41.6329 23.5535 TIMING: 276600 CPU: 826.014, 0.00297813/step Wall: 826.014, 0.00297813/step, 3.90747 hours remaining, 207.734375 MB of memory in use. ENERGY: 276600 719.9505 2071.0581 1948.0820 109.5473 -206176.9582 17907.2135 0.0000 0.0000 34385.9838 -149035.1230 300.3013 -183421.1068 -148944.9301 299.3848 24.3254 59.6540 557666.1154 15.5478 15.4953 PRESSURE: 276800 -185.565 -28.9731 8.64162 -28.9738 30.2612 -180.155 8.64195 -180.153 272.618 GPRESSURE: 276800 -193.868 -66.3188 50.6534 -6.55981 91.5042 -236.274 30.4971 -192.114 333.988 PRESSAVG: 276800 -12.3099 -67.6428 21.2783 -67.6428 -13.5746 -36.1592 21.2784 -36.1593 17.138 GPRESSAVG: 276800 -13.0573 -66.7534 20.7999 -69.5206 -14.4399 -39.3919 24.6866 -32.8151 18.8972 TIMING: 276800 CPU: 826.611, 0.00298054/step Wall: 826.611, 0.00298054/step, 3.91047 hours remaining, 207.734375 MB of memory in use. ENERGY: 276800 733.2581 2020.4495 1935.0356 109.7841 -206068.6144 17755.9355 0.0000 0.0000 34325.8449 -149188.3069 299.7761 -183514.1517 -149088.1120 299.3996 39.1048 77.2083 557337.7795 -2.9155 -2.8667 PRESSURE: 277000 93.2129 -64.0441 26.8399 -64.0435 -4.07256 94.7427 26.8393 94.7441 238.164 GPRESSURE: 277000 114.867 -115.833 47.9253 -64.3019 64.7755 35.9228 99.0059 88.3738 254.074 PRESSAVG: 277000 24.3333 -44.4212 5.0275 -44.4214 9.07463 -73.7877 5.02743 -73.7877 14.2538 GPRESSAVG: 277000 24.0072 -46.1336 4.51355 -44.2312 10.4385 -72.4626 2.73163 -76.0981 13.3838 TIMING: 277000 CPU: 827.207, 0.00298249/step Wall: 827.207, 0.00298249/step, 3.91286 hours remaining, 207.734375 MB of memory in use. ENERGY: 277000 726.6974 2090.4060 1933.9520 106.4604 -206129.5686 17835.6998 0.0000 0.0000 34260.7988 -149175.5541 299.2081 -183436.3530 -149081.3135 299.2980 109.1016 144.5723 556257.9459 15.8872 15.9432 PRESSURE: 277200 243.177 43.6416 -73.1752 43.642 229.475 54.7001 -73.1757 54.7005 74.1697 GPRESSURE: 277200 298.05 102.611 -116.626 44.5548 250.73 40.2854 -84.8447 25.261 99.0068 PRESSAVG: 277200 0.226666 -68.175 17.4447 -68.175 5.51012 18.2908 17.4447 18.2909 -11.0176 GPRESSAVG: 277200 0.0596608 -65.8171 17.082 -67.2897 4.97554 18.5298 19.2647 16.9184 -9.56083 TIMING: 277200 CPU: 827.808, 0.00300482/step Wall: 827.808, 0.00300482/step, 3.94199 hours remaining, 207.734375 MB of memory in use. ENERGY: 277200 718.3890 2027.3263 1921.1844 125.6300 -206362.2792 18126.0258 0.0000 0.0000 34202.3788 -149241.3450 298.6979 -183443.7238 -149146.4908 299.3046 182.2738 215.9292 557632.1033 -1.7603 -1.5085 PRESSURE: 277400 23.6322 -144.531 -0.21958 -144.533 36.8306 -39.1293 -0.220546 -39.1295 -77.5131 GPRESSURE: 277400 89.3459 -109.788 -46.2219 -207.867 49.7323 -53.7843 27.6654 -25.3043 -64.628 PRESSAVG: 277400 25.4722 -45.0383 63.3146 -45.0382 33.055 -4.87218 63.3147 -4.87218 -13.9335 GPRESSAVG: 277400 26.9297 -46.0093 65.2492 -46.8446 32.8985 -4.46328 62.9961 -3.30613 -15.3789 TIMING: 277400 CPU: 828.411, 0.00301227/step Wall: 828.411, 0.00301227/step, 3.9516 hours remaining, 207.734375 MB of memory in use. ENERGY: 277400 742.7436 2075.1348 1939.3522 118.0866 -206227.9808 17861.4879 0.0000 0.0000 34398.1223 -149093.0534 300.4074 -183491.1757 -148998.4245 299.4040 -5.6834 24.8167 558386.7724 14.8646 14.8165 PRESSURE: 277600 -138.634 8.4686 -97.6256 8.47016 95.5245 62.7342 -97.626 62.7334 -48.488 GPRESSURE: 277600 -82.1987 28.4537 -133.024 31.2945 134.847 36.9114 -37.6561 52.1774 -43.0987 PRESSAVG: 277600 33.7886 -39.573 31.2492 -39.573 10.7241 -6.78864 31.2491 -6.78866 -46.8147 GPRESSAVG: 277600 34.5057 -39.8949 28.1971 -39.5407 10.925 -8.67566 31.054 -5.15759 -47.8957 TIMING: 277600 CPU: 829.006, 0.00297903/step Wall: 829.006, 0.00297903/step, 3.90783 hours remaining, 207.734375 MB of memory in use. ENERGY: 277600 740.6223 2052.1988 1947.9039 116.0336 -205904.8709 17628.2283 0.0000 0.0000 34273.3698 -149146.5140 299.3179 -183419.8839 -149042.8754 300.0892 -30.5324 3.1830 558201.7403 -0.7673 -0.8217 PRESSURE: 277800 -287.347 -37.2831 89.8194 -37.2819 -118.529 -30.5355 89.8192 -30.5356 -259.125 GPRESSURE: 277800 -283.599 -47.5146 172.15 20.909 -113.661 69.6417 -28.4197 -49.1436 -181.601 PRESSAVG: 277800 -102.795 33.9487 -9.68655 33.9487 62.4957 15.4042 -9.68665 15.4043 36.5444 GPRESSAVG: 277800 -103.488 34.6143 -7.96395 35.1417 61.7283 17.052 -9.59987 13.4579 38.3416 TIMING: 277800 CPU: 829.606, 0.0029962/step Wall: 829.606, 0.0029962/step, 3.93018 hours remaining, 207.734375 MB of memory in use. ENERGY: 277800 808.2297 2069.8687 1938.6258 107.9403 -205836.4430 17583.5278 0.0000 0.0000 33925.4263 -149402.8243 296.2792 -183328.2506 -149309.6544 299.2615 -221.6670 -192.9537 557835.7235 -1.2516 -1.1394 PRESSURE: 278000 -286.847 20.961 11.7212 20.9621 -49.1732 29.0853 11.7206 29.0847 -256.908 GPRESSURE: 278000 -272.951 26.8101 -84.9114 32.7249 -4.59906 95.1996 92.1828 55.7873 -217.943 PRESSAVG: 278000 -49.3338 6.80753 18.7982 6.8075 24.7303 -5.47577 18.7982 -5.47574 10.1533 GPRESSAVG: 278000 -49.0226 6.47173 17.6548 6.46993 24.3188 -6.2357 20.2535 -4.42703 10.7345 TIMING: 278000 CPU: 830.197, 0.00295668/step Wall: 830.197, 0.00295668/step, 3.87818 hours remaining, 207.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 278000 754.6348 2122.1107 1947.0827 119.0752 -205952.4511 17727.6572 0.0000 0.0000 33920.6022 -149361.2884 296.2371 -183281.8906 -149275.8572 297.8035 -197.6426 -165.1643 560146.6921 -4.8167 -4.6564 PRESSURE: 278200 -75.29 66.3999 41.6594 66.3999 25.2932 118.35 41.6609 118.347 163.105 GPRESSURE: 278200 8.49876 119.787 -20.9974 119.962 68.795 146.506 54.3547 78.6955 128.614 PRESSAVG: 278200 -27.188 53.9522 0.623409 53.9522 44.6219 26.468 0.623392 26.468 -27.1279 GPRESSAVG: 278200 -27.3738 55.0246 3.36435 55.4954 45.649 27.1534 -0.44204 25.9398 -28.6625 TIMING: 278200 CPU: 830.795, 0.00299272/step Wall: 830.795, 0.00299272/step, 3.92528 hours remaining, 207.953125 MB of memory in use. ENERGY: 278200 693.6906 2083.9731 1935.2480 117.7919 -206153.2905 17780.9550 0.0000 0.0000 34251.8108 -149289.8212 299.1296 -183541.6320 -149196.5667 298.8884 37.7028 68.6357 558182.0181 -3.2313 -3.4624 PRESSURE: 278400 19.1601 -22.1909 -94.0093 -22.1907 38.2076 -31.9912 -94.0107 -31.9903 -77.3011 GPRESSURE: 278400 71.1168 -29.3778 3.75023 -27.0915 63.5824 -18.2378 -101.861 -53.0279 -65.398 PRESSAVG: 278400 8.9601 -22.7531 18.2622 -22.7531 9.39559 -7.37422 18.2622 -7.37422 -11.1356 GPRESSAVG: 278400 9.08831 -23.5941 17.6332 -24.5909 9.69231 -6.73754 19.5818 -8.09705 -11.4537 TIMING: 278400 CPU: 831.396, 0.0030023/step Wall: 831.396, 0.0030023/step, 3.93769 hours remaining, 207.953125 MB of memory in use. ENERGY: 278400 771.2754 2092.2457 1915.7349 123.3704 -206462.4473 17888.8963 0.0000 0.0000 34371.1697 -149299.7550 300.1720 -183670.9247 -149203.3746 298.5799 -6.6445 23.1004 556175.0910 2.4067 2.4423 PRESSURE: 278600 96.9896 140.303 120.395 140.303 -151.211 19.5448 120.395 19.5461 -128.529 GPRESSURE: 278600 83.6438 155.161 80.5819 153.529 -97.6657 -17.6686 198.302 33.0647 -83.2461 PRESSAVG: 278600 -34.6439 42.5967 2.38624 42.5967 31.075 17.0915 2.38621 17.0917 1.61058 GPRESSAVG: 278600 -35.7134 41.9598 2.18956 43.0878 32.9969 15.9561 1.79997 19.6216 0.912127 TIMING: 278600 CPU: 831.992, 0.00298166/step Wall: 831.992, 0.00298166/step, 3.91045 hours remaining, 207.953125 MB of memory in use. ENERGY: 278600 719.6926 2080.0318 1941.0977 124.1573 -205984.0103 17592.7465 0.0000 0.0000 34239.0766 -149287.2079 299.0184 -183526.2846 -149188.0291 299.3241 -60.9171 -32.4226 556153.7600 -0.6528 -0.6015 PRESSURE: 278800 -217.292 45.9452 30.3385 45.9477 -241.055 117.796 30.3387 117.797 -43.3371 GPRESSURE: 278800 -155.451 44.651 19.2197 96.4666 -248.414 174.511 51.3989 119.31 -14.988 PRESSAVG: 278800 16.4752 -6.0223 -5.87485 -6.02228 12.2839 27.7471 -5.87475 27.7472 -74.3911 GPRESSAVG: 278800 16.6547 -7.8718 -6.89128 -5.66421 12.0223 26.3492 -6.47396 27.7064 -74.7543 TIMING: 278800 CPU: 832.583, 0.002953/step Wall: 832.583, 0.002953/step, 3.87269 hours remaining, 207.953125 MB of memory in use. ENERGY: 278800 723.5803 2071.3886 1941.9863 114.4833 -205873.2039 17346.3025 0.0000 0.0000 34331.8951 -149343.5677 299.8290 -183675.4628 -149254.7472 298.8191 -167.2280 -139.6176 556832.2530 -15.2107 -15.3591 PRESSURE: 279000 -423.632 92.5573 -126.41 92.5575 -176.337 34.7879 -126.41 34.787 -101.881 GPRESSURE: 279000 -339.364 91.5142 -185.463 114.857 -155.904 28.4059 -178.97 103.684 -107.539 PRESSAVG: 279000 -61.3945 34.0091 -31.8457 34.0091 48.6677 -26.1608 -31.8457 -26.1608 38.4962 GPRESSAVG: 279000 -60.9658 37.2081 -29.6036 33.0265 47.1797 -25.8051 -33.2232 -26.8122 39.602 TIMING: 279000 CPU: 833.176, 0.0029681/step Wall: 833.176, 0.0029681/step, 3.89234 hours remaining, 207.953125 MB of memory in use. ENERGY: 279000 762.5530 2072.7235 1922.0389 110.6473 -205707.3282 17407.7875 0.0000 0.0000 34175.5347 -149256.0433 298.4634 -183431.5780 -149153.2873 299.4380 -233.9500 -200.9353 559248.6106 8.5898 8.6053 PRESSURE: 279200 -165.427 0.691705 56.0511 0.690929 1.90988 -72.6869 56.0508 -72.6866 -293.406 GPRESSURE: 279200 -101.598 85.4474 173.724 -35.0643 23.0471 -72.0304 -37.0336 -15.8475 -282.494 PRESSAVG: 279200 -1.18675 82.5233 -4.783 82.5232 5.31426 -26.7703 -4.78306 -26.7703 36.268 GPRESSAVG: 279200 -1.04105 79.8053 -5.76108 85.3493 5.41402 -25.6169 -4.33165 -27.1298 36.4059 TIMING: 279200 CPU: 833.767, 0.00295269/step Wall: 833.767, 0.00295269/step, 3.87197 hours remaining, 207.953125 MB of memory in use. ENERGY: 279200 798.3526 2044.7992 1924.8519 115.4455 -206441.7901 17886.0692 0.0000 0.0000 34480.6696 -149191.6021 301.1283 -183672.2717 -149093.4827 300.2810 -152.3079 -120.3484 557090.5522 13.4652 13.5930 PRESSURE: 279400 -65.9654 59.5094 63.8241 59.509 -312.014 28.9062 63.8229 28.9077 67.5821 GPRESSURE: 279400 1.28285 48.1036 62.3248 71.7235 -330.422 30.4055 190.734 25.5757 140.639 PRESSAVG: 279400 51.0384 21.1934 -27.8414 21.1934 3.65977 -16.6926 -27.8415 -16.6926 -9.59252 GPRESSAVG: 279400 51.898 22.8264 -29.9847 20.4628 3.35074 -18.9219 -28.5861 -14.5747 -9.62009 TIMING: 279400 CPU: 834.364, 0.00298373/step Wall: 834.364, 0.00298373/step, 3.9125 hours remaining, 207.953125 MB of memory in use. ENERGY: 279400 719.7816 2043.4717 1905.6032 112.8381 -206100.9230 17750.7473 0.0000 0.0000 34234.2620 -149334.2193 298.9763 -183568.4813 -149238.2462 300.0388 -103.4657 -62.8333 557595.3466 15.0352 15.2096 PRESSURE: 279600 19.1182 89.375 18.7102 89.3761 -123.331 67.2638 18.7104 67.2653 -146.24 GPRESSURE: 279600 -3.51833 67.4458 96.1937 168.015 -53.6036 83.5528 29.6527 0.600994 -99.1107 PRESSAVG: 279600 78.3601 4.41108 7.02281 4.41107 -56.1728 6.78024 7.02283 6.7802 20.4076 GPRESSAVG: 279600 77.6504 4.6464 10.8649 2.87115 -55.1807 7.81931 8.56426 4.23162 20.0071 TIMING: 279600 CPU: 834.962, 0.00299342/step Wall: 834.962, 0.00299342/step, 3.92504 hours remaining, 207.953125 MB of memory in use. ENERGY: 279600 745.0079 2082.2803 1959.1882 119.8901 -206232.7884 17811.0016 0.0000 0.0000 34251.8924 -149263.5280 299.1303 -183515.4204 -149166.5078 299.1414 -83.4844 -52.0775 556566.3573 14.1983 14.1590 PRESSURE: 279800 153.561 -219.052 14.9461 -219.052 144.88 185.455 14.9469 185.455 143.428 GPRESSURE: 279800 220.016 -161.936 -12.0305 -267.087 199.046 90.7665 119.544 225.447 118.691 PRESSAVG: 279800 -0.863269 18.4425 5.41849 18.4424 -32.0168 69.458 5.41849 69.4581 13.5744 GPRESSAVG: 279800 -1.51203 16.299 4.36022 19.1251 -31.3209 69.2409 6.06447 69.9132 13.8048 TIMING: 279800 CPU: 835.564, 0.00300707/step Wall: 835.564, 0.00300707/step, 3.94276 hours remaining, 207.953125 MB of memory in use. ENERGY: 279800 721.7238 2160.9039 1920.8889 118.1221 -206228.5665 18017.7726 0.0000 0.0000 34137.7405 -149151.4147 298.1334 -183289.1552 -149057.3129 299.1746 147.2898 179.2510 557980.3477 -6.4352 -6.3427 PRESSURE: 280000 93.7185 -71.8987 6.23693 -71.8999 -115.154 185.946 6.23645 185.947 10.7751 GPRESSURE: 280000 163.486 31.1709 -28.5539 -57.3349 -76.5612 143.338 -12.6329 214.094 3.10477 PRESSAVG: 280000 31.6805 -10.3033 34.8698 -10.3034 37.2974 41.0574 34.8698 41.0575 -57.7669 GPRESSAVG: 280000 32.3379 -7.97379 33.9527 -12.456 37.3116 42.0575 34.1795 40.8486 -58.8787 TIMING: 280000 CPU: 836.164, 0.00300053/step Wall: 836.164, 0.00300053/step, 3.93403 hours remaining, 207.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 280000 765.5895 2070.4456 1907.5784 120.8167 -206223.5639 17800.6251 0.0000 0.0000 34279.8759 -149278.6327 299.3747 -183558.5086 -149187.7732 299.3586 -3.5536 30.0099 557051.5895 3.7370 3.5903 PRESSURE: 280200 106.957 168.345 -135.037 168.344 -71.9223 -63.1586 -135.036 -63.1591 -147.363 GPRESSURE: 280200 153.685 206.127 -146.213 147.818 -41.3362 -72.6957 -113.505 -101.955 -133.296 PRESSAVG: 280200 51.4686 -50.0904 -36.135 -50.0902 0.682636 -11.7576 -36.135 -11.7576 17.5684 GPRESSAVG: 280200 50.6551 -51.1628 -34.2118 -49.238 -0.519398 -13.9432 -36.5019 -10.5341 19.1924 TIMING: 280200 CPU: 836.761, 0.00298739/step Wall: 836.761, 0.00298739/step, 3.91663 hours remaining, 207.953125 MB of memory in use. ENERGY: 280200 754.5765 2115.1237 1909.7916 104.1733 -205980.9837 17695.9615 0.0000 0.0000 34182.3116 -149219.0455 298.5226 -183401.3571 -149118.3549 299.0589 -37.4428 -6.9824 556948.7894 23.2399 23.1094 LDB: ============= START OF LOAD BALANCING ============== 840.314 LDB: ============== END OF LOAD BALANCING =============== 840.314 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 840.316 LDB: ============= START OF LOAD BALANCING ============== 840.616 LDB: Largest compute 4795 load 0.027613 is 23.4% of average load 0.117973 LDB: Average compute 0.001729 is 1.5% of average load 0.117973 LDB: TIME 840.618 LOAD: AVG 0.117973 MAX 0.206411 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.5 MB LDB: TIME 840.619 LOAD: AVG 0.117973 MAX 0.206411 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: TIME 840.619 LOAD: AVG 0.117973 MAX 0.206411 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 840.621 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 840.625 PRESSURE: 280400 98.0195 50.1465 -42.9016 50.1455 -7.04718 -51.9143 -42.9016 -51.9146 355.406 GPRESSURE: 280400 131.353 97.2761 -74.8964 -6.6069 -29.4624 4.45548 74.6917 -51.3383 442.918 PRESSAVG: 280400 63.7039 2.39343 9.27513 2.39347 -65.0288 -4.43885 9.27519 -4.43886 1.03943 GPRESSAVG: 280400 63.4565 1.99709 6.88157 2.2292 -65.0581 -2.95202 10.1637 -5.21294 1.53281 TIMING: 280400 CPU: 837.375, 0.00306823/step Wall: 837.375, 0.00306823/step, 4.02245 hours remaining, 207.242188 MB of memory in use. ENERGY: 280400 705.9023 2132.0022 1920.3549 109.3656 -206289.1929 17870.6640 0.0000 0.0000 34502.6099 -149048.2940 301.3199 -183550.9039 -148951.6491 299.3573 148.7927 181.6026 555303.4929 -0.0951 -0.0230 PRESSURE: 280600 51.3717 69.4002 14.5143 69.3994 -21.5073 8.76813 14.5156 8.76858 12.7559 GPRESSURE: 280600 147.162 99.9012 38.6585 90.6874 -47.6033 63.4167 -42.9702 36.5555 27.9378 PRESSAVG: 280600 16.4904 22.6183 -13.5898 22.6184 -49.8861 15.7577 -13.5898 15.7576 -39.399 GPRESSAVG: 280600 16.7526 24.8464 -11.8424 22.7871 -50.8171 16.187 -14.6314 16.0303 -39.6283 TIMING: 280600 CPU: 837.973, 0.00298903/step Wall: 837.973, 0.00298903/step, 3.91845 hours remaining, 207.312500 MB of memory in use. ENERGY: 280600 710.6568 2115.3286 1878.8407 91.3371 -206178.7490 17821.7837 0.0000 0.0000 34495.0526 -149065.7495 301.2539 -183560.8021 -148973.8134 300.3480 14.2067 42.4987 556012.0061 -24.2649 -24.5642 PRESSURE: 280800 -71.2318 -223.019 -41.3193 -223.02 -152.961 -115.564 -41.3208 -115.566 10.5616 GPRESSURE: 280800 -36.2576 -176.046 38.1592 -214.198 -94.4755 -59.7894 -2.03631 -68.5129 25.181 PRESSAVG: 280800 48.0027 -23.9114 17.2345 -23.9114 -8.44059 -26.8428 17.2345 -26.8428 -34.1227 GPRESSAVG: 280800 47.5729 -26.0594 14.2933 -24.0054 -7.34039 -28.9682 19.1674 -26.823 -34.4667 TIMING: 280800 CPU: 838.569, 0.00297878/step Wall: 838.569, 0.00297878/step, 3.90484 hours remaining, 207.312500 MB of memory in use. ENERGY: 280800 751.8615 2079.6548 1915.0403 103.2147 -205899.1396 17585.1892 0.0000 0.0000 34304.9516 -149159.2276 299.5937 -183464.1792 -149061.9287 300.3104 -71.2105 -35.1840 556283.9627 1.8131 1.9219 PRESSURE: 281000 268.181 -74.126 23.5748 -74.1262 -92.5701 150.999 23.5755 150.999 -291.324 GPRESSURE: 281000 264.586 -7.91348 -69.4279 -15.5605 -45.475 44.0402 74.0658 220.345 -232.042 PRESSAVG: 281000 45.6395 15.7852 13.4719 15.7852 -20.8381 65.5785 13.4719 65.5785 -11.6325 GPRESSAVG: 281000 45.1447 15.5256 15.6515 16.3576 -20.7743 66.225 12.0139 65.4706 -11.3704 TIMING: 281000 CPU: 839.162, 0.00296793/step Wall: 839.162, 0.00296793/step, 3.89046 hours remaining, 207.312500 MB of memory in use. ENERGY: 281000 685.4317 2091.1782 1938.0426 102.1990 -205828.8727 17503.9648 0.0000 0.0000 34256.2406 -149251.8157 299.1683 -183508.0563 -149156.5258 299.2117 -38.5711 -4.3103 556481.4931 4.3896 4.3334 PRESSURE: 281200 -169.979 106.622 -130.806 106.621 -96.9334 -68.3713 -130.805 -68.3713 96.3239 GPRESSURE: 281200 -106.681 93.9619 -69.1867 95.2948 -121.441 -8.65166 -107.569 -88.4316 161.009 PRESSAVG: 281200 -29.3428 20.9599 18.0911 20.9599 5.50638 28.935 18.0913 28.935 43.9406 GPRESSAVG: 281200 -28.7151 21.8012 17.0594 19.599 4.6746 28.8499 19.9335 29.8302 43.7922 TIMING: 281200 CPU: 839.755, 0.00296438/step Wall: 839.755, 0.00296438/step, 3.88565 hours remaining, 207.312500 MB of memory in use. ENERGY: 281200 706.7891 2088.8407 1944.9358 102.8434 -206202.7727 17805.9130 0.0000 0.0000 34197.9504 -149355.5004 298.6592 -183553.4507 -149258.5651 298.8231 -56.8628 -22.3708 556505.0675 6.7014 6.5839 PRESSURE: 281400 -228.741 206.284 -135.764 206.285 -44.4608 103.251 -135.764 103.251 -41.7125 GPRESSURE: 281400 -175.166 234.026 -213.381 202.312 -70.3851 48.1334 -96.8098 153.439 33.6781 PRESSAVG: 281400 16.7038 85.7071 -39.2249 85.7072 -4.09094 20.8034 -39.2248 20.8034 36.8813 GPRESSAVG: 281400 17.2811 84.7587 -37.5095 88.2713 -3.78837 19.571 -41.6999 21.4597 35.8546 TIMING: 281400 CPU: 840.352, 0.00298684/step Wall: 840.352, 0.00298684/step, 3.91491 hours remaining, 207.312500 MB of memory in use. ENERGY: 281400 744.1954 2074.0342 1944.9293 108.0360 -206053.6697 17659.8749 0.0000 0.0000 34143.0742 -149379.5255 298.1800 -183522.5998 -149277.3286 298.4650 -104.9714 -70.6242 558312.6433 16.4980 16.4491 PRESSURE: 281600 -171.313 10.4211 64.9759 10.4212 -84.3091 33.4838 64.9755 33.4832 130.881 GPRESSURE: 281600 -147.849 4.68267 116.404 -27.6419 -35.6124 -12.5672 -10.7653 72.9046 152.654 PRESSAVG: 281600 -45.6745 107.585 -22.905 107.585 32.9602 -50.8996 -22.905 -50.8996 32.062 GPRESSAVG: 281600 -46.4552 106.762 -23.7546 106.474 32.5503 -49.3181 -22.9925 -50.7624 33.5716 TIMING: 281600 CPU: 840.954, 0.0030058/step Wall: 840.954, 0.0030058/step, 3.9396 hours remaining, 207.312500 MB of memory in use. ENERGY: 281600 759.4144 2066.7465 1922.2950 125.2555 -206159.4538 17784.2636 0.0000 0.0000 34306.8221 -149194.6566 299.6100 -183501.4787 -149091.4098 298.4609 -41.5804 -10.2689 557894.7013 6.4492 6.5556 PRESSURE: 281800 9.90036 -55.3628 58.2619 -55.3638 -370.346 -107.971 58.2609 -107.97 203.946 GPRESSURE: 281800 4.52486 -88.8692 33.1568 -21.553 -288.377 -173.47 28.9561 -35.4742 229.808 PRESSAVG: 281800 49.0742 27.4221 -3.87767 27.4221 -25.7369 24.1507 -3.87767 24.1507 -29.0698 GPRESSAVG: 281800 49.3918 28.6778 -2.54844 28.2914 -25.7647 21.465 -4.32242 23.1845 -29.5745 TIMING: 281800 CPU: 841.548, 0.00297233/step Wall: 841.548, 0.00297233/step, 3.89557 hours remaining, 207.312500 MB of memory in use. ENERGY: 281800 764.3835 2087.7235 1901.5133 108.3798 -206273.5889 17858.8743 0.0000 0.0000 34155.5341 -149397.1804 298.2888 -183552.7145 -149309.3110 299.2363 -52.1664 -18.0147 558061.0248 -1.9108 -1.9825 PRESSURE: 282000 411.013 48.8235 63.1604 48.823 -95.2034 -27.8322 63.1604 -27.8292 517.552 GPRESSURE: 282000 375.707 59.6488 3.5113 76.7429 -14.2445 -121.129 56.7627 101.779 570.006 PRESSAVG: 282000 -11.3814 -15.2862 -51.5046 -15.2863 -51.4596 31.5251 -51.5046 31.5253 41.5283 GPRESSAVG: 282000 -12.0784 -12.9136 -53.016 -16.277 -51.9395 32.7995 -50.7753 31.7498 42.3897 TIMING: 282000 CPU: 842.146, 0.00298939/step Wall: 842.146, 0.00298939/step, 3.91776 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 282000 741.0672 2097.0579 1918.8537 107.2296 -206401.8388 18169.9852 0.0000 0.0000 34295.0000 -149072.6453 299.5068 -183367.6453 -148976.6743 299.4646 277.7875 310.4897 558197.4171 -7.1043 -7.2094 PRESSURE: 282200 -112.509 -50.5947 63.281 -50.5946 165.46 25.146 63.281 25.1477 146.011 GPRESSURE: 282200 -116.067 -32.8588 70.653 -94.5321 218.878 -113.855 119.195 9.59909 186.193 PRESSAVG: 282200 14.8921 -21.9899 -17.2242 -21.9898 -6.34401 -14.1364 -17.2243 -14.1364 -20.4901 GPRESSAVG: 282200 14.8798 -23.6769 -17.6689 -21.464 -5.69449 -12.7697 -17.2632 -16.7317 -20.8947 TIMING: 282200 CPU: 842.743, 0.00298531/step Wall: 842.743, 0.00298531/step, 3.91224 hours remaining, 207.312500 MB of memory in use. ENERGY: 282200 722.9264 2073.2143 1943.4491 119.7604 -206147.9608 17718.1354 0.0000 0.0000 34385.4427 -149185.0324 300.2966 -183570.4751 -149083.2086 299.6044 66.3208 96.3346 555542.4702 -3.9807 -3.9031 PRESSURE: 282400 -50.6687 85.4601 -102.236 85.4601 49.6695 -202.43 -102.237 -202.43 -187.304 GPRESSURE: 282400 15.2074 31.553 -101.312 113.553 99.4734 -207.09 -71.4649 -177.283 -212.566 PRESSAVG: 282400 -79.9822 -14.5929 -71.4422 -14.5929 13.3415 -38.6392 -71.4422 -38.6392 34.3651 GPRESSAVG: 282400 -79.8679 -14.8302 -69.3645 -16.7543 13.5454 -38.1666 -71.9118 -38.1355 33.5443 TIMING: 282400 CPU: 843.345, 0.00300837/step Wall: 843.345, 0.00300837/step, 3.9423 hours remaining, 207.312500 MB of memory in use. ENERGY: 282400 771.8256 2099.9097 1901.5839 99.7594 -206123.9233 17697.1183 0.0000 0.0000 34436.0081 -149117.7183 300.7382 -183553.7264 -149028.8467 299.7401 -62.7679 -32.6283 557922.8468 -10.7585 -10.9261 PRESSURE: 282600 -104.433 -24.6127 63.4412 -24.6119 35.1066 -151.396 63.4416 -151.396 106.155 GPRESSURE: 282600 -49.3206 -135.246 117.519 -5.42743 59.9621 -119.102 6.96551 -209.573 122.641 PRESSAVG: 282600 8.70608 -27.8772 -31.2587 -27.8773 20.4911 -34.2785 -31.2587 -34.2784 -50.5295 GPRESSAVG: 282600 8.95612 -28.8207 -33.7106 -24.969 19.9613 -35.2696 -30.3607 -32.8671 -50.4128 TIMING: 282600 CPU: 843.941, 0.00298188/step Wall: 843.941, 0.00298188/step, 3.90742 hours remaining, 207.312500 MB of memory in use. ENERGY: 282600 730.5437 2054.7439 1909.8819 111.1589 -206071.7703 17738.3131 0.0000 0.0000 34255.1021 -149272.0268 299.1583 -183527.1289 -149170.5812 299.2526 12.2764 44.4274 557459.0415 -7.1108 -7.1651 PRESSURE: 282800 29.0089 -126.895 12.6478 -126.894 128.394 -44.6328 12.6474 -44.6322 -124.176 GPRESSURE: 282800 -5.40959 -213.12 -30.4707 -148.503 204.723 -35.57 -84.5607 -43.1586 -72.5297 PRESSAVG: 282800 -17.5692 -61.6268 -27.5166 -61.6268 -42.6531 -42.4228 -27.5166 -42.4229 73.3035 GPRESSAVG: 282800 -17.9457 -61.4071 -27.1163 -61.7901 -42.0335 -42.9353 -28.1693 -42.0842 72.2419 TIMING: 282800 CPU: 844.533, 0.00295992/step Wall: 844.533, 0.00295992/step, 3.87848 hours remaining, 207.312500 MB of memory in use. ENERGY: 282800 757.8560 2058.7206 1962.7331 112.3870 -206221.5677 17974.1693 0.0000 0.0000 34292.4097 -149063.2919 299.4841 -183355.7017 -148960.5336 299.4737 11.0757 42.2614 558404.0458 4.3604 4.0876 PRESSURE: 283000 -8.49835 20.4217 63.1926 20.4207 11.04 -36.5602 63.1916 -36.5599 98.7345 GPRESSURE: 283000 -22.1072 11.1985 159.205 -34.8792 68.8178 -61.3225 90.472 -10.9662 153.557 PRESSAVG: 283000 -3.06372 -7.50558 -14.0789 -7.50547 11.203 -27.1405 -14.079 -27.1406 21.173 GPRESSAVG: 283000 -4.42631 -5.99123 -13.4324 -8.94086 10.8709 -26.6625 -14.3531 -29.3316 22.8017 TIMING: 283000 CPU: 845.129, 0.00297873/step Wall: 845.129, 0.00297873/step, 3.90296 hours remaining, 207.312500 MB of memory in use. ENERGY: 283000 734.6111 2062.0711 1919.6113 103.9282 -205828.5724 17954.9407 0.0000 0.0000 34150.6770 -148902.7329 298.2464 -183053.4099 -148809.7078 300.2457 33.7587 66.7560 557598.9172 9.7708 9.7487 PRESSURE: 283200 179.431 -47.8591 75.1675 -47.8602 -140.967 -211.245 75.1679 -211.245 142.807 GPRESSURE: 283200 190.199 -40.0664 73.454 119.071 -72.3266 -151.457 93.4717 -208.462 163.82 PRESSAVG: 283200 37.9312 -51.9068 9.30979 -51.9069 -79.1409 -63.7884 9.30979 -63.7883 43.3088 GPRESSAVG: 283200 40.1879 -52.8019 9.22216 -51.5235 -79.8545 -63.0004 10.9249 -62.1301 42.0598 TIMING: 283200 CPU: 845.728, 0.00299358/step Wall: 845.728, 0.00299358/step, 3.92226 hours remaining, 207.312500 MB of memory in use. ENERGY: 283200 736.9686 2089.8326 1906.2631 114.2623 -206063.4456 18037.1980 0.0000 0.0000 34431.1046 -148747.8164 300.6954 -183178.9210 -148662.1368 300.5536 60.4240 93.8973 559032.1569 0.6997 0.7977 PRESSURE: 283400 -52.0152 -172.14 32.1315 -172.138 -59.6485 -56.6994 32.1322 -56.7015 -234.815 GPRESSURE: 283400 -38.3954 -225.322 21.1196 -143.569 -39.4577 5.20497 112.568 -82.7738 -184.745 PRESSAVG: 283400 -33.8788 -33.741 -5.18772 -33.741 -86.9637 -3.28501 -5.18772 -3.28505 60.2741 GPRESSAVG: 283400 -34.1125 -33.3238 -4.23864 -33.4686 -86.3646 -3.73386 -7.34918 -1.6872 59.4602 TIMING: 283400 CPU: 846.324, 0.00298059/step Wall: 846.324, 0.00298059/step, 3.90506 hours remaining, 207.312500 MB of memory in use. ENERGY: 283400 734.1209 2062.2544 1907.0010 123.6205 -205839.5136 17790.1433 0.0000 0.0000 34453.6472 -148768.7263 300.8923 -183222.3734 -148676.5944 300.5614 -115.4928 -87.5326 560001.8235 -20.1895 -20.3390 PRESSURE: 283600 -265.499 215.84 -9.71916 215.839 159.558 -8.37511 -9.71952 -8.3748 97.6941 GPRESSURE: 283600 -230.127 253.002 -3.87315 197.081 212.844 -16.3704 23.6211 43.4717 114.599 PRESSAVG: 283600 47.9165 6.28748 26.2403 6.28745 -47.31 -8.48004 26.2403 -8.47998 -50.2844 GPRESSAVG: 283600 45.9628 4.09544 24.2624 5.3192 -46.6525 -8.211 28.286 -9.48741 -49.6641 TIMING: 283600 CPU: 846.925, 0.00300511/step Wall: 846.925, 0.00300511/step, 3.93703 hours remaining, 207.312500 MB of memory in use. ENERGY: 283600 751.3676 2069.7877 1922.8017 115.5411 -205980.8587 17953.5051 0.0000 0.0000 34401.1809 -148766.6746 300.4341 -183167.8555 -148667.6029 300.5041 -2.7490 32.4385 557533.9381 -16.5593 -16.7846 PRESSURE: 283800 -149.844 -19.0166 -220.369 -19.017 161.855 -88.3675 -220.369 -88.3666 -210.34 GPRESSURE: 283800 -126.322 -2.52843 -275.683 -67.4312 154.153 -69.1978 -207.483 -123.128 -118.075 PRESSAVG: 283800 -24.1037 6.68554 9.44072 6.68547 -33.2702 0.0736868 9.44079 0.0738174 9.65355 GPRESSAVG: 283800 -23.1789 7.5549 12.2148 7.47524 -34.0015 0.851466 6.99118 -1.08363 9.5552 TIMING: 283800 CPU: 847.525, 0.00299953/step Wall: 847.525, 0.00299953/step, 3.92955 hours remaining, 207.312500 MB of memory in use. ENERGY: 283800 783.1455 2067.4445 1921.1207 105.7403 -205895.9605 17673.7577 0.0000 0.0000 34478.1101 -148866.6418 301.1059 -183344.7518 -148771.1585 300.3614 -66.1098 -30.0815 558858.6109 -15.9068 -15.8751 PRESSURE: 284000 -16.8285 -11.2522 -17.4181 -11.2523 228.159 61.8432 -17.4182 61.8442 36.0159 GPRESSURE: 284000 36.7723 78.4612 -44.6849 -58.8673 255.125 58.4933 22.5263 60.1564 42.0982 PRESSAVG: 284000 -9.40399 6.98537 -29.1751 6.98534 -34.0699 -3.43669 -29.1751 -3.43666 19.4596 GPRESSAVG: 284000 -10.473 7.94731 -30.737 6.03717 -32.6656 -2.44975 -29.3008 -4.00328 18.8008 TIMING: 284000 CPU: 848.121, 0.00298349/step Wall: 848.121, 0.00298349/step, 3.90837 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 284000 732.8518 2058.4996 1912.6718 108.8203 -206167.8225 17851.4530 0.0000 0.0000 34494.7544 -149008.7715 301.2513 -183503.5259 -148908.3496 300.1411 82.4489 111.3317 558065.1620 -8.0048 -8.1126 PRESSURE: 284200 -9.43966 11.9495 -18.939 11.9479 -2.21611 -53.8346 -18.9389 -53.8329 66.9807 GPRESSURE: 284200 41.0814 7.90501 -45.7105 39.9571 31.1478 24.388 -6.33399 -40.37 66.303 PRESSAVG: 284200 -6.0192 71.9219 -44.3262 71.9219 32.5218 -60.5554 -44.3262 -60.5554 -28.4998 GPRESSAVG: 284200 -5.40792 70.6768 -46.0497 72.8835 31.341 -63.5285 -41.8264 -58.3314 -27.3854 TIMING: 284200 CPU: 848.714, 0.00296395/step Wall: 848.714, 0.00296395/step, 3.88261 hours remaining, 207.312500 MB of memory in use. ENERGY: 284200 746.4921 2031.7490 1917.9056 123.4345 -205804.3739 17700.6232 0.0000 0.0000 34268.3162 -149015.8534 299.2737 -183284.1696 -148911.7571 299.9367 18.4416 46.1774 556789.1165 -0.6657 -0.4841 LDB: ============= START OF LOAD BALANCING ============== 852.26 LDB: ============== END OF LOAD BALANCING =============== 852.261 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 852.262 LDB: ============= START OF LOAD BALANCING ============== 852.56 LDB: Largest compute 4773 load 0.027605 is 23.4% of average load 0.118042 LDB: Average compute 0.001728 is 1.5% of average load 0.118042 LDB: TIME 852.562 LOAD: AVG 0.118042 MAX 0.205295 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.273 MB LDB: TIME 852.563 LOAD: AVG 0.118042 MAX 0.205295 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.273 MB LDB: TIME 852.563 LOAD: AVG 0.118042 MAX 0.205295 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.273 MB LDB: ============== END OF LOAD BALANCING =============== 852.565 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 852.569 PRESSURE: 284400 -123.398 152.212 79.2473 152.213 80.8413 -50.0714 79.2479 -50.0708 -263.098 GPRESSURE: 284400 -74.6992 127.684 -3.32054 168.394 88.6304 -125.617 55.9339 24.5447 -221.365 PRESSAVG: 284400 -63.1886 14.8165 -25.9747 14.8165 56.0882 -40.9026 -25.9746 -40.9025 46.1913 GPRESSAVG: 284400 -62.7184 17.1551 -23.2344 13.6211 56.0197 -39.4762 -29.071 -42.2544 45.964 TIMING: 284400 CPU: 849.319, 0.00302307/step Wall: 849.319, 0.00302307/step, 3.95988 hours remaining, 207.304688 MB of memory in use. ENERGY: 284400 723.5125 2061.5344 1944.6311 114.2536 -205979.9407 17624.6315 0.0000 0.0000 34395.4810 -149115.8966 300.3843 -183511.3776 -149018.5052 299.4085 -101.8848 -69.1445 556643.7534 13.0303 13.0884 PRESSURE: 284600 238.994 6.33549 169.384 6.33435 178.716 -61.3664 169.382 -61.3664 147.776 GPRESSURE: 284600 269.356 4.93293 114.831 55.6522 184.267 -40.7704 238.208 -68.9628 206.386 PRESSAVG: 284600 -19.2641 -15.8101 30.3276 -15.8102 80.8101 -24.5197 30.3276 -24.5197 -14.9165 GPRESSAVG: 284600 -19.3841 -17.4566 27.7363 -13.0843 81.0714 -25.0564 33.2012 -22.9858 -14.5663 TIMING: 284600 CPU: 849.913, 0.00297121/step Wall: 849.913, 0.00297121/step, 3.89179 hours remaining, 207.304688 MB of memory in use. ENERGY: 284600 765.1965 2065.7657 1939.3356 106.7463 -206018.6342 17911.6600 0.0000 0.0000 34260.9025 -148969.0276 299.2090 -183229.9301 -148872.3725 300.3093 188.4954 220.0027 557814.5771 15.5432 15.7070 PRESSURE: 284800 251.849 82.0763 21.3004 82.0757 -42.0655 120.689 21.2988 120.688 163.778 GPRESSURE: 284800 316.961 21.8882 14.0289 184.683 19.5603 192.154 -39.476 106.761 136.516 PRESSAVG: 284800 32.6791 -15.0668 -31.7689 -15.0668 2.7325 -31.4659 -31.7689 -31.4659 -24.3153 GPRESSAVG: 284800 33.3095 -14.8424 -30.6624 -16.9928 1.91095 -31.4315 -32.2683 -35.1099 -23.8818 TIMING: 284800 CPU: 850.506, 0.002966/step Wall: 850.506, 0.002966/step, 3.8848 hours remaining, 207.304688 MB of memory in use. ENERGY: 284800 762.9992 2050.1185 1929.4211 106.8879 -206018.1337 17985.4046 0.0000 0.0000 34209.2209 -148974.0815 298.7576 -183183.3024 -148874.3778 300.4765 124.5204 157.6792 557653.1717 3.6987 3.7795 PRESSURE: 285000 -42.6645 1.68343 -67.2861 1.68312 -108.091 4.43248 -67.2863 4.43373 -57.1912 GPRESSURE: 285000 -50.7025 48.8323 -106.866 -40.5658 -12.3871 -77.8082 -48.0248 70.023 -52.2078 PRESSAVG: 285000 28.8214 -26.8266 22.0355 -26.8267 56.1882 17.9851 22.0355 17.985 -61.5206 GPRESSAVG: 285000 28.2769 -27.7008 22.9577 -26.3123 56.6538 18.0028 21.4553 19.4565 -61.3318 TIMING: 285000 CPU: 851.104, 0.00298712/step Wall: 851.104, 0.00298712/step, 3.9123 hours remaining, 207.304688 MB of memory in use. ENERGY: 285000 749.4915 2116.1405 1905.4630 108.0667 -205848.7078 17618.1830 0.0000 0.0000 34220.4991 -149130.8640 298.8561 -183351.3631 -149039.8436 299.3418 -69.3154 -38.4325 557390.9518 7.8297 7.8663 PRESSURE: 285200 -107.009 -33.7656 -180.082 -33.7662 -188.431 144.038 -180.081 144.038 -230.072 GPRESSURE: 285200 -64.424 36.2678 -251.083 -85.4861 -110.493 94.7911 -132.557 185.636 -258.921 PRESSAVG: 285200 11.3431 -51.9681 -60.8347 -51.9682 -23.727 16.8932 -60.8347 16.893 -6.19427 GPRESSAVG: 285200 12.8524 -50.7781 -61.9959 -54.2958 -23.2216 15.8714 -57.7502 18.1258 -7.88922 TIMING: 285200 CPU: 851.697, 0.00296759/step Wall: 851.697, 0.0029676/step, 3.88656 hours remaining, 207.304688 MB of memory in use. ENERGY: 285200 728.1259 2096.4116 1938.5628 117.1731 -205965.3167 17472.3531 0.0000 0.0000 34380.4409 -149232.2493 300.2529 -183612.6902 -149127.1061 300.1213 -175.1705 -144.6126 556804.8143 -6.1927 -6.0861 PRESSURE: 285400 10.1429 -108.085 51.1609 -108.085 -281.71 -103.433 51.1602 -103.434 -170.185 GPRESSURE: 285400 63.9882 -56.3099 36.8637 -134.251 -233.192 -163.988 72.5846 -26.0321 -171.365 PRESSAVG: 285400 -2.51901 -17.9858 -46.1593 -17.9856 17.9679 -6.41901 -46.1594 -6.41899 1.76986 GPRESSAVG: 285400 -3.71216 -18.067 -47.3418 -16.9206 17.8155 -4.93488 -47.1305 -4.63283 3.04207 TIMING: 285400 CPU: 852.29, 0.00296296/step Wall: 852.29, 0.00296296/step, 3.88033 hours remaining, 207.304688 MB of memory in use. ENERGY: 285400 729.9391 2113.5098 1904.0887 120.4705 -205771.9862 17413.4427 0.0000 0.0000 34197.5330 -149293.0025 298.6556 -183490.5355 -149197.1562 299.5774 -147.2509 -113.5230 556295.9676 5.7396 5.7151 PRESSURE: 285600 -114.582 -16.3764 5.96402 -16.3775 59.5459 -39.6524 5.96179 -39.6529 123.188 GPRESSURE: 285600 -31.2409 5.71985 10.0263 -16.6995 82.2971 -61.8884 -43.3667 -68.4843 108.653 PRESSAVG: 285600 -48.2919 24.2643 21.8131 24.2642 14.5678 4.33064 21.813 4.33067 9.28491 GPRESSAVG: 285600 -48.1582 23.3912 22.0877 24.1205 14.857 4.34503 19.4006 1.54324 8.88762 TIMING: 285600 CPU: 852.882, 0.00296241/step Wall: 852.882, 0.00296241/step, 3.87944 hours remaining, 207.304688 MB of memory in use. ENERGY: 285600 736.0685 2078.1163 1926.2758 106.9982 -206427.1320 17852.8360 0.0000 0.0000 34364.3429 -149362.4943 300.1124 -183726.8372 -149266.4191 299.5305 22.7176 53.2364 555672.7825 -8.1464 -8.1379 PRESSURE: 285800 -180.494 -124.464 -95.7683 -124.464 -47.5385 -88.3075 -95.7679 -88.3086 -185.086 GPRESSURE: 285800 -156.911 -93.4235 -111.289 -115.92 -28.0318 -70.9293 -67.3229 -43.8986 -152.502 PRESSAVG: 285800 -20.4886 -36.0244 -60.5649 -36.0243 46.3975 -24.0243 -60.5648 -24.0244 -39.7413 GPRESSAVG: 285800 -20.0342 -36.3038 -60.2845 -33.911 45.7455 -24.0547 -59.3779 -22.8248 -39.5383 TIMING: 285800 CPU: 853.475, 0.00296264/step Wall: 853.475, 0.00296264/step, 3.87957 hours remaining, 207.304688 MB of memory in use. ENERGY: 285800 765.5526 2105.1126 1926.4293 115.2927 -206618.0203 17641.8422 0.0000 0.0000 34538.3210 -149525.4699 301.6317 -184063.7909 -149425.1554 299.7004 -137.7063 -112.4817 556937.4387 -4.6108 -4.6090 PRESSURE: 286000 157.559 -33.527 74.7161 -33.5259 54.5898 -47.303 74.7166 -47.3033 123.771 GPRESSURE: 286000 202.871 -22.6112 60.9612 -23.4016 81.1674 -20.9157 16.8134 -124.74 150.94 PRESSAVG: 286000 -54.447 0.655167 -53.9392 0.655204 70.0593 -70.5481 -53.9392 -70.5481 -11.617 GPRESSAVG: 286000 -54.2185 1.11187 -54.0463 -0.296213 70.9756 -70.6817 -53.9728 -71.497 -12.2583 TIMING: 286000 CPU: 854.066, 0.00295545/step Wall: 854.066, 0.00295545/step, 3.87 hours remaining, 207.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 286000 761.9953 2118.6488 1910.9552 112.9152 -206587.2622 17882.7628 0.0000 0.0000 34215.8767 -149584.1082 298.8158 -183799.9849 -149483.8499 298.9492 111.9730 144.9927 555900.2494 1.3318 1.4996 PRESSURE: 286200 -196.682 169.845 -4.28904 169.844 96.4563 69.3943 -4.28897 69.3932 242.174 GPRESSURE: 286200 -139.458 135.58 -40.5663 167.841 129.479 45.1542 -19.8766 55.1225 237.79 PRESSAVG: 286200 -30.9469 -1.29172 9.95528 -1.29171 51.3755 -29.8097 9.95519 -29.8097 24.5168 GPRESSAVG: 286200 -31.7458 0.0376269 9.48298 0.85009 51.552 -30.9598 8.96055 -29.2852 25.0461 TIMING: 286200 CPU: 854.667, 0.00300741/step Wall: 854.667, 0.00300741/step, 3.93787 hours remaining, 207.304688 MB of memory in use. ENERGY: 286200 740.4435 2149.5651 1903.6494 121.1805 -206382.7596 17824.2565 0.0000 0.0000 34112.8509 -149530.8137 297.9160 -183643.6646 -149433.5684 299.1648 47.3163 75.9366 557809.9662 14.9818 14.9507 PRESSURE: 286400 130.072 -18.4044 -104.645 -18.4035 67.295 -15.8344 -104.645 -15.8349 242.947 GPRESSURE: 286400 126.715 -94.0225 -113.47 8.60263 138.259 -86.9245 -83.7806 -30.3829 259.7 PRESSAVG: 286400 -52.4662 63.2869 -13.6389 63.2869 66.3328 -12.8426 -13.6388 -12.8427 -26.046 GPRESSAVG: 286400 -51.5027 62.7087 -12.7926 59.952 64.3246 -12.9838 -11.9241 -14.559 -24.9625 TIMING: 286400 CPU: 855.264, 0.0029855/step Wall: 855.264, 0.0029855/step, 3.90901 hours remaining, 207.304688 MB of memory in use. ENERGY: 286400 779.5363 2142.9863 1903.6684 112.7129 -206513.4840 17833.0877 0.0000 0.0000 34182.9225 -149558.5698 298.5280 -183741.4923 -149462.7724 298.8818 146.7712 174.8913 555225.9299 -4.0598 -4.0469 PRESSURE: 286600 -205.283 91.0294 -14.0518 91.0303 -201.612 -105.044 -14.0507 -105.044 -189.643 GPRESSURE: 286600 -152.285 80.2295 13.8854 40.4186 -182.46 -158.723 -83.8145 -46.927 -161.907 PRESSAVG: 286600 -41.9907 12.9398 30.9438 12.9399 94.8809 7.22599 30.9437 7.22604 14.7932 GPRESSAVG: 286600 -43.4105 12.7676 30.0614 14.7701 97.1937 9.64574 30.4281 9.14607 13.7949 TIMING: 286600 CPU: 855.858, 0.00296705/step Wall: 855.858, 0.00296705/step, 3.88469 hours remaining, 207.304688 MB of memory in use. ENERGY: 286600 762.9806 2132.1990 1911.5843 111.5586 -206777.7244 17627.7439 0.0000 0.0000 34466.2203 -149765.4376 301.0021 -184231.6579 -149662.7986 298.2825 -198.8460 -165.5504 556334.8105 22.5611 22.5260 PRESSURE: 286800 85.1797 -292.805 135.063 -292.806 -203.171 168.252 135.063 168.255 185.799 GPRESSURE: 286800 81.3162 -238.957 137.936 -310.375 -176.518 229.934 180.366 99.546 249.542 PRESSAVG: 286800 -106.887 -24.1592 32.7195 -24.1591 21.5506 8.48261 32.7195 8.48261 16.012 GPRESSAVG: 286800 -105.822 -25.4842 34.1976 -23.2523 19.881 7.10856 30.8586 8.02219 16.8804 TIMING: 286800 CPU: 856.459, 0.00300562/step Wall: 856.459, 0.00300562/step, 3.93503 hours remaining, 207.304688 MB of memory in use. ENERGY: 286800 752.7203 2082.4657 1934.0541 121.7663 -206551.9159 17777.5603 0.0000 0.0000 34003.5052 -149879.8440 296.9611 -183883.3492 -149782.9529 297.7219 22.6026 51.4466 556795.5995 -23.1080 -23.0201 PRESSURE: 287000 -165.535 -3.18455 -59.9522 -3.18478 116.573 24.7979 -59.9517 24.7979 102.68 GPRESSURE: 287000 -144.287 8.39375 -36.5836 4.7386 131.149 30.6011 -130.235 3.95785 165.493 PRESSAVG: 287000 -40.7429 35.0798 41.7873 35.0798 57.2597 25.435 41.7873 25.435 -7.25999 GPRESSAVG: 287000 -41.1758 37.3927 41.0812 32.6228 57.9929 23.119 41.8557 24.2179 -7.72946 TIMING: 287000 CPU: 857.058, 0.00299564/step Wall: 857.058, 0.00299564/step, 3.92179 hours remaining, 207.304688 MB of memory in use. ENERGY: 287000 748.8440 2074.9382 1935.9091 113.3367 -206704.7290 17725.0973 0.0000 0.0000 34167.9310 -149938.6727 298.3970 -184106.6036 -149842.5104 297.7680 17.9064 50.7850 556454.3540 3.0856 3.0292 PRESSURE: 287200 -24.5261 70.7469 18.0073 70.7456 20.6625 64.0949 18.0064 64.0953 -182.941 GPRESSURE: 287200 7.96688 114.442 38.1627 8.00681 45.8268 38.7937 48.5246 52.6647 -151.198 PRESSAVG: 287200 -13.8216 -26.3806 28.1588 -26.3806 1.57621 -33.5611 28.1587 -33.561 20.7914 GPRESSAVG: 287200 -13.383 -27.217 27.644 -27.0379 0.66388 -33.7366 29.9628 -33.1259 21.0388 TIMING: 287200 CPU: 857.656, 0.00299179/step Wall: 857.656, 0.00299179/step, 3.91659 hours remaining, 207.304688 MB of memory in use. ENERGY: 287200 734.7207 2059.9498 1925.6379 111.7110 -207002.3817 17930.4839 0.0000 0.0000 34239.4962 -150000.3823 299.0220 -184239.8785 -149899.5385 297.6611 -62.2682 -32.4682 555714.7875 2.8487 2.7732 PRESSURE: 287400 226.222 -110.64 84.8479 -110.642 -378.27 -158.161 84.8468 -158.159 265.842 GPRESSURE: 287400 223.604 -48.0208 95.1253 -151.484 -348.048 -185.289 84.0718 -94.2596 331.608 PRESSAVG: 287400 1.66757 -20.0778 4.36936 -20.0778 6.00403 -31.8703 4.36946 -31.8702 -38.4325 GPRESSAVG: 287400 0.844063 -20.7528 5.69749 -20.1465 7.46732 -30.4253 3.0469 -33.3902 -38.7431 TIMING: 287400 CPU: 858.254, 0.00298698/step Wall: 858.254, 0.00298698/step, 3.91012 hours remaining, 207.304688 MB of memory in use. ENERGY: 287400 759.7454 2083.3189 1926.5280 112.0519 -206805.3845 17999.0110 0.0000 0.0000 33929.3961 -149995.3331 296.3139 -183924.7292 -149901.8408 297.3343 37.9309 69.0546 557369.8939 -10.2536 -10.1439 PRESSURE: 287600 10.7509 -95.1448 -138.139 -95.1436 -117.578 -36.4813 -138.138 -36.4816 3.29202 GPRESSURE: 287600 43.2831 -70.9244 -48.381 -124.301 -46.1472 81.4488 -181.352 -161.033 -10.8828 PRESSAVG: 287600 -45.6202 -9.76438 16.7466 -9.76446 -32.8077 -7.0214 16.7467 -7.02154 83.3884 GPRESSAVG: 287600 -45.5978 -10.0689 17.5024 -8.08337 -33.1781 -6.46475 17.892 -5.37506 84.0868 TIMING: 287600 CPU: 858.852, 0.00298925/step Wall: 858.852, 0.00298925/step, 3.91292 hours remaining, 207.304688 MB of memory in use. ENERGY: 287600 709.1808 2093.6310 1939.6034 118.4602 -206416.0323 17856.8021 0.0000 0.0000 33946.7029 -149751.6519 296.4650 -183698.3548 -149650.6379 297.2789 -34.5116 -4.5823 558682.5732 1.6535 1.7703 PRESSURE: 287800 -23.7123 -5.11147 287.462 -5.1115 -50.001 -21.2968 287.461 -21.2965 -21.0245 GPRESSURE: 287800 1.55494 22.5763 211.284 -52.403 17.5377 -8.2298 285.353 -7.26942 -18.0963 PRESSAVG: 287800 -3.33092 -3.21345 30.2078 -3.21341 -28.5809 -38.6199 30.2078 -38.6198 17.9315 GPRESSAVG: 287800 -2.57289 -3.22833 31.7288 -4.02904 -28.3148 -39.2618 28.1715 -37.1983 16.1007 TIMING: 287800 CPU: 859.449, 0.00298691/step Wall: 859.449, 0.00298691/step, 3.90969 hours remaining, 207.375000 MB of memory in use. ENERGY: 287800 785.8722 2129.5850 1929.7613 109.3743 -206858.7082 18036.4546 0.0000 0.0000 34124.5444 -149743.1164 298.0181 -183867.6608 -149642.9580 297.2900 -31.5793 0.3321 557958.8421 -4.6601 -4.9290 PRESSURE: 288000 12.0844 -27.2665 20.1567 -27.2666 -152.359 157.888 20.1575 157.888 -172.915 GPRESSURE: 288000 -12.5786 88.7915 -21.5233 -80.2 -146.978 121.129 129.693 218.266 -65.5924 PRESSAVG: 288000 27.1809 6.85979 -2.65627 6.85975 -48.0093 18.5586 -2.6562 18.5586 -6.35421 GPRESSAVG: 288000 26.4717 7.43056 -4.49783 5.93311 -49.0114 19.1427 -4.12653 17.9696 -5.02012 TIMING: 288000 CPU: 860.044, 0.00297501/step Wall: 860.044, 0.00297501/step, 3.89395 hours remaining, 207.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 288000 759.1777 2081.2026 1939.9531 111.8534 -206871.2650 17981.7701 0.0000 0.0000 34043.1225 -149954.1857 297.3071 -183997.3082 -149853.7255 297.9655 -104.3966 -75.0496 558138.1945 -9.0609 -9.1866 PRESSURE: 288200 154.392 -67.6547 -17.4877 -67.6542 -186.378 11.1461 -17.4874 11.1448 49.317 GPRESSURE: 288200 130.612 -15.9595 -42.33 -152.656 -87.2318 -140.794 50.7467 92.1349 74.2595 PRESSAVG: 288200 52.2844 19.3967 22.3256 19.3967 -76.5035 -12.1322 22.3257 -12.1323 22.8991 GPRESSAVG: 288200 52.8537 17.9957 21.3663 20.8487 -77.5972 -12.6154 25.3953 -12.0019 23.0812 TIMING: 288200 CPU: 860.638, 0.00296903/step Wall: 860.638, 0.00296903/step, 3.88596 hours remaining, 207.375000 MB of memory in use. ENERGY: 288200 732.5467 2038.1579 1942.5960 116.2875 -206435.0541 17793.8240 0.0000 0.0000 34102.4429 -149709.1992 297.8251 -183811.6421 -149603.8798 296.9398 5.7769 39.2132 557920.1354 -0.4400 -0.5541 LDB: ============= START OF LOAD BALANCING ============== 864.186 LDB: ============== END OF LOAD BALANCING =============== 864.186 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 864.188 LDB: ============= START OF LOAD BALANCING ============== 864.489 LDB: Largest compute 4796 load 0.027580 is 23.4% of average load 0.117968 LDB: Average compute 0.001732 is 1.5% of average load 0.117968 LDB: TIME 864.491 LOAD: AVG 0.117968 MAX 0.20691 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.473 MB LDB: TIME 864.492 LOAD: AVG 0.117968 MAX 0.20691 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.477 MB LDB: TIME 864.492 LOAD: AVG 0.117968 MAX 0.20691 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.477 MB LDB: ============== END OF LOAD BALANCING =============== 864.494 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 864.498 PRESSURE: 288400 134.899 7.43397 -1.14925 7.43355 -0.0588087 15.567 -1.15022 15.5668 255.745 GPRESSURE: 288400 210.02 -83.8858 -85.5812 -58.2635 24.3424 59.3445 73.2395 50.679 264.297 PRESSAVG: 288400 6.89143 -24.4862 35.0843 -24.4861 6.63601 23.7231 35.0843 23.7231 -47.475 GPRESSAVG: 288400 7.76268 -24.0126 34.9632 -25.0913 7.51241 25.544 35.1384 22.7338 -49.3196 TIMING: 288400 CPU: 861.248, 0.00305038/step Wall: 861.248, 0.00305037/step, 3.99226 hours remaining, 206.472656 MB of memory in use. ENERGY: 288400 747.3106 2058.0757 1903.0575 98.8140 -206634.1302 18215.0754 0.0000 0.0000 33999.2350 -149612.5620 296.9238 -183611.7970 -149518.9106 297.6354 130.1949 166.2199 557547.2991 -11.3158 -11.3482 PRESSURE: 288600 49.5138 23.6667 59.5233 23.6663 -99.1844 -116.149 59.5231 -116.15 -105.831 GPRESSURE: 288600 47.7187 -23.9201 31.8701 -75.7712 -29.7417 -89.7962 43.1155 -88.642 -67.6415 PRESSAVG: 288600 55.8516 22.9763 -3.74667 22.9763 16.8014 1.59163 -3.74675 1.59159 -51.0995 GPRESSAVG: 288600 53.6535 23.6472 -5.40853 21.8322 16.8776 -0.212408 -3.42026 1.65548 -49.6269 TIMING: 288600 CPU: 861.844, 0.00297928/step Wall: 861.844, 0.00297928/step, 3.89905 hours remaining, 206.472656 MB of memory in use. ENERGY: 288600 728.0172 2029.8538 1907.4124 105.7184 -206242.5786 17695.7091 0.0000 0.0000 34277.7417 -149498.1261 299.3560 -183775.8678 -149402.6848 298.4542 -51.8340 -16.5548 556925.5542 7.1845 6.9681 PRESSURE: 288800 -111.007 -58.3401 -92.4834 -58.3395 -125.043 -21.4347 -92.4831 -21.434 64.2771 GPRESSURE: 288800 -128.206 -50.7386 -39.8307 -129.807 -78.3444 -51.9127 -34.3019 -3.46451 128.077 PRESSAVG: 288800 15.5015 -39.5123 -48.8964 -39.5123 24.4816 -2.23071 -48.8964 -2.23067 13.8092 GPRESSAVG: 288800 15.4695 -40.7 -46.4144 -36.9942 24.6387 -1.43432 -50.1738 -3.1135 13.2186 TIMING: 288800 CPU: 862.441, 0.00298791/step Wall: 862.441, 0.00298791/step, 3.91018 hours remaining, 206.472656 MB of memory in use. ENERGY: 288800 736.4464 2070.9454 1954.4570 117.5587 -206591.8196 17864.3526 0.0000 0.0000 34494.0848 -149353.9746 301.2454 -183848.0594 -149260.1275 299.0731 -57.2577 -26.1577 556280.5860 17.9308 17.7756 PRESSURE: 289000 -279.199 -25.4838 -76.9717 -25.4835 38.284 -148.688 -76.9719 -148.687 166.554 GPRESSURE: 289000 -198.324 -63.4405 -89.0283 -43.5247 4.65735 -196.307 -41.9445 -185.124 211.98 PRESSAVG: 289000 -39.1235 -23.4853 -15.079 -23.4853 33.4794 5.30393 -15.079 5.30397 41.6717 GPRESSAVG: 289000 -37.7076 -23.96 -16.1409 -22.0759 33.3033 4.93871 -14.9041 6.29868 41.156 TIMING: 289000 CPU: 863.034, 0.00296191/step Wall: 863.034, 0.00296191/step, 3.87599 hours remaining, 206.472656 MB of memory in use. ENERGY: 289000 752.6857 2075.8675 1939.0140 118.6361 -206350.0419 17781.2513 0.0000 0.0000 34291.7399 -149390.8472 299.4783 -183682.5872 -149299.5654 299.7707 -24.7872 6.1043 557341.3918 12.0092 12.2506 PRESSURE: 289200 348.193 -45.1974 -38.0021 -45.1984 247.243 -23.7994 -38.0018 -23.7982 -70.7508 GPRESSURE: 289200 352.292 -1.50088 -47.6025 -67.238 264.056 49.8223 -1.5151 -88.0576 4.27076 PRESSAVG: 289200 -100.374 10.5878 -5.09378 10.5879 43.5813 -9.9957 -5.09383 -9.99567 62.2327 GPRESSAVG: 289200 -100.617 13.1516 -4.17169 7.35838 43.8806 -9.47814 -4.785 -13.0656 62.574 TIMING: 289200 CPU: 863.626, 0.0029619/step Wall: 863.626, 0.0029619/step, 3.87582 hours remaining, 206.472656 MB of memory in use. ENERGY: 289200 722.8698 2078.2807 1953.0637 119.2886 -206375.4172 17973.8558 0.0000 0.0000 34263.3133 -149264.7453 299.2300 -183528.0586 -149174.0947 299.3120 174.8949 206.8730 558170.0602 1.8132 1.9459 PRESSURE: 289400 -184.269 70.9371 -92.7041 70.9364 -78.8705 -108.726 -92.7048 -108.726 10.9027 GPRESSURE: 289400 -121.943 170.448 -80.5672 -17.7443 -17.2894 -73.6794 -112.784 -227.825 -12.2578 PRESSAVG: 289400 -42.7366 4.30495 -13.1634 4.30494 15.0454 -42.9724 -13.1634 -42.9725 16.8193 GPRESSAVG: 289400 -42.9376 1.92908 -10.9231 4.8489 14.7926 -43.1539 -15.9808 -40.3029 17.2196 TIMING: 289400 CPU: 864.228, 0.00300849/step Wall: 864.228, 0.00300849/step, 3.93661 hours remaining, 206.472656 MB of memory in use. ENERGY: 289400 743.3923 2076.2983 1919.2781 106.3413 -205984.8476 17631.8380 0.0000 0.0000 34187.5657 -149320.1339 298.5685 -183507.6996 -149228.8766 299.2239 -84.0791 -50.4968 556218.5987 -3.6240 -3.6418 PRESSURE: 289600 -73.532 -59.2121 90.9145 -59.2118 -37.6335 -196.064 90.9144 -196.064 -127.798 GPRESSURE: 289600 -38.9734 -80.8612 111.844 -147.452 5.50591 -252.987 57.626 -193.525 -107.491 PRESSAVG: 289600 -22.0865 -22.4378 3.45348 -22.4378 17.8333 -94.5995 3.45351 -94.5996 45.4076 GPRESSAVG: 289600 -21.5562 -22.9755 1.49467 -21.7213 17.429 -94.2658 6.13775 -96.5195 45.5085 TIMING: 289600 CPU: 864.829, 0.00300527/step Wall: 864.829, 0.00300527/step, 3.93223 hours remaining, 206.472656 MB of memory in use. ENERGY: 289600 732.8073 2076.3684 1936.8114 107.9005 -206145.0157 17610.8025 0.0000 0.0000 34237.4762 -149442.8494 299.0044 -183680.3256 -149352.9096 299.6718 -79.6546 -46.9861 557188.1786 13.7181 13.7938 PRESSURE: 289800 -25.9117 105.663 40.4037 105.664 64.9443 -38.7605 40.4038 -38.7588 -27.0411 GPRESSURE: 289800 -30.4141 76.9722 31.3245 15.278 130.243 -2.777 45.2316 -18.6424 0.976685 PRESSAVG: 289800 -63.8276 7.3011 61.8821 7.30101 -2.64251 -63.0176 61.8822 -63.0176 57.9147 GPRESSAVG: 289800 -65.1619 6.97814 60.5649 7.62144 -1.29959 -63.0776 62.0286 -60.5963 57.6538 TIMING: 289800 CPU: 865.428, 0.00299452/step Wall: 865.428, 0.00299452/step, 3.918 hours remaining, 206.472656 MB of memory in use. ENERGY: 289800 729.6763 2100.6581 1912.7075 125.0948 -206402.3713 17966.5103 0.0000 0.0000 34068.6673 -149499.0570 297.5301 -183567.7243 -149399.8405 298.6922 3.9972 33.6017 557356.3452 -2.8518 -2.9359 PRESSURE: 290000 -101.409 -34.6952 -60.8864 -34.6942 78.527 -16.6914 -60.8854 -16.6908 -37.2805 GPRESSURE: 290000 -89.9746 -63.1295 -106.084 -75.1977 103.429 -105.022 -39.5572 4.89156 25.9592 PRESSAVG: 290000 65.583 18.9102 37.3497 18.9103 -39.5586 11.3208 37.3498 11.3207 -79.8365 GPRESSAVG: 290000 65.9034 22.1511 39.0347 16.5207 -39.6836 10.2838 36.9539 9.30104 -80.5145 TIMING: 290000 CPU: 866.028, 0.00300152/step Wall: 866.028, 0.00300152/step, 3.92699 hours remaining, 206.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 290000 746.0739 2100.3708 1942.3279 111.0289 -206485.0370 17877.8036 0.0000 0.0000 34238.1140 -149469.3178 299.0100 -183707.4318 -149377.1353 298.7521 -20.0540 13.1379 557003.6980 -17.9374 -18.0982 PRESSURE: 290200 -225.96 -5.02469 -227.473 -5.02677 305.481 45.9733 -227.474 45.9733 -173.348 GPRESSURE: 290200 -244.262 55.8703 -189.019 -0.331065 351.034 49.8006 -201.062 46.5682 -112.691 PRESSAVG: 290200 24.0821 -13.0377 -26.5401 -13.0378 13.5127 20.641 -26.5402 20.641 10.2558 GPRESSAVG: 290200 24.3912 -13.4295 -27.7504 -10.9064 12.9234 21.3959 -26.5001 19.9301 10.3525 TIMING: 290200 CPU: 866.623, 0.00297532/step Wall: 866.623, 0.00297532/step, 3.89255 hours remaining, 206.472656 MB of memory in use. ENERGY: 290200 816.9066 2126.3960 1943.5098 117.0501 -206523.2159 17969.7344 0.0000 0.0000 34232.2634 -149317.3556 298.9589 -183549.6190 -149219.5400 298.9335 -31.2754 -1.9726 558317.5468 15.9502 15.8890 PRESSURE: 290400 -175.461 198.352 -49.0363 198.351 -188.933 -208.4 -49.0359 -208.401 -191.94 GPRESSURE: 290400 -120.252 216.941 -60.1825 287.379 -182.812 -171.44 -33.0918 -245.581 -163.39 PRESSAVG: 290400 -13.2964 59.5415 21.2724 59.5415 38.0306 -25.9433 21.2724 -25.9432 -6.7205 GPRESSAVG: 290400 -13.0845 58.1242 22.592 59.368 36.7835 -25.4171 20.9694 -25.3448 -5.76866 TIMING: 290400 CPU: 867.214, 0.00295373/step Wall: 867.214, 0.00295373/step, 3.86414 hours remaining, 206.472656 MB of memory in use. ENERGY: 290400 755.8632 2121.5366 1918.2458 116.3084 -206020.4220 17606.5967 0.0000 0.0000 34258.6305 -149243.2408 299.1891 -183501.8713 -149146.5098 299.0881 -185.4447 -155.4844 557819.0614 6.0046 5.9768 PRESSURE: 290600 -111.069 -43.3056 -30.3465 -43.3072 -87.9486 -136.878 -30.3467 -136.878 23.7267 GPRESSURE: 290600 -17.0896 29.6149 -33.5082 -53.0651 -54.8271 -193.565 -6.54653 -94.4653 0.323638 PRESSAVG: 290600 -13.0728 41.1311 11.8406 41.1312 -17.3774 -40.4387 11.8406 -40.4388 11.9474 GPRESSAVG: 290600 -12.9744 41.4644 10.7098 40.9618 -16.2352 -42.2415 11.2373 -41.5024 10.7156 TIMING: 290600 CPU: 867.804, 0.0029504/step Wall: 867.804, 0.0029504/step, 3.85962 hours remaining, 206.472656 MB of memory in use. ENERGY: 290600 746.7880 2121.8109 1940.9715 121.7408 -206330.2186 17828.5575 0.0000 0.0000 34396.3640 -149173.9858 300.3920 -183570.3498 -149077.5914 298.9106 -58.4303 -23.8644 559445.4413 -6.1676 -6.1647 PRESSURE: 290800 0.39188 -38.3773 -25.4974 -38.3773 -36.8317 29.3071 -25.4984 29.307 -179.391 GPRESSURE: 290800 3.55915 -90.353 -10.2529 65.9812 -49.6421 -21.5727 -7.8273 -14.3581 -67.4969 PRESSAVG: 290800 -13.6434 2.1537 -38.1408 2.15373 30.8324 4.93057 -38.1408 4.93048 -30.0947 GPRESSAVG: 290800 -13.6377 0.622152 -37.3123 2.2654 29.9751 4.4382 -39.1625 6.64611 -28.7801 TIMING: 290800 CPU: 868.399, 0.00297653/step Wall: 868.399, 0.00297653/step, 3.89363 hours remaining, 206.472656 MB of memory in use. ENERGY: 290800 751.5424 2099.8181 1960.5650 106.4270 -206381.7093 17852.1968 0.0000 0.0000 34382.0088 -149229.1512 300.2666 -183611.1601 -149133.2647 299.1223 -71.9437 -37.8599 559001.4753 -4.3019 -4.1476 PRESSURE: 291000 -19.5792 -19.4457 -110.567 -19.4467 -217.41 246.834 -110.567 246.832 -261.332 GPRESSURE: 291000 -33.9158 -40.4682 -165.819 -18.0031 -156.915 228.506 23.7289 276.703 -214.722 PRESSAVG: 291000 -80.1026 -17.8593 -21.1907 -17.8594 27.811 22.3754 -21.1907 22.3755 38.4854 GPRESSAVG: 291000 -79.5837 -17.7548 -20.4184 -16.5824 27.9133 22.2468 -19.8857 21.4108 37.6568 TIMING: 291000 CPU: 868.995, 0.00298145/step Wall: 868.995, 0.00298145/step, 3.8999 hours remaining, 206.472656 MB of memory in use. ENERGY: 291000 718.1395 2129.6489 1965.5070 104.1520 -206005.7599 17621.0866 0.0000 0.0000 34164.3115 -149302.9146 298.3654 -183467.2261 -149207.8273 299.3170 -166.1070 -135.1843 560439.3215 -4.6020 -4.6712 PRESSURE: 291200 -313.412 -95.1266 103.853 -95.1277 -77.5493 -8.72324 103.852 -8.72325 90.3581 GPRESSURE: 291200 -244.829 -34.5538 63.7567 -74.0051 -79.0263 68.7814 101.518 8.52675 118.898 PRESSAVG: 291200 -49.8498 9.45727 51.9514 9.45739 67.2247 -22.1151 51.9514 -22.1151 26.9507 GPRESSAVG: 291200 -49.9356 8.93073 51.6042 8.8784 66.3555 -20.769 51.8227 -19.5852 27.9848 TIMING: 291200 CPU: 869.589, 0.00296808/step Wall: 869.589, 0.00296808/step, 3.88225 hours remaining, 206.472656 MB of memory in use. ENERGY: 291200 779.9103 2063.1366 1928.3847 102.1684 -206373.1493 17863.6655 0.0000 0.0000 34551.9526 -149083.9311 301.7508 -183635.8838 -148987.5828 299.7025 -100.2010 -68.3193 558560.8344 14.7752 14.8016 PRESSURE: 291400 -106.083 -5.73665 85.3889 -5.7362 233.719 -24.8961 85.3889 -24.8948 15.0835 GPRESSURE: 291400 -103.434 22.6392 146.582 -30.419 243.728 7.17755 136.734 -41.5569 101.972 PRESSAVG: 291400 20.1654 -25.4318 38.6371 -25.4318 25.9017 14.6622 38.6372 14.6622 -25.866 GPRESSAVG: 291400 19.574 -24.6165 37.8977 -26.4652 27.2532 14.1845 38.6487 12.8087 -26.566 TIMING: 291400 CPU: 870.185, 0.00297894/step Wall: 870.185, 0.00297894/step, 3.89629 hours remaining, 206.472656 MB of memory in use. ENERGY: 291400 715.2736 2116.6621 1911.0577 121.5887 -206148.2342 17877.4464 0.0000 0.0000 34242.7640 -149163.4417 299.0506 -183406.2057 -149069.8169 299.6873 47.5731 80.7553 558706.9270 6.7337 6.7538 PRESSURE: 291600 9.22121 28.28 96.3117 28.2813 -173.472 -29.0227 96.3115 -29.0209 -31.9147 GPRESSURE: 291600 0.0619115 2.05871 161.013 37.6399 -44.4232 9.03593 39.6129 -99.6118 -48.3902 PRESSAVG: 291600 56.8894 -37.6807 -2.50264 -37.6808 44.4499 -23.7317 -2.50262 -23.7318 -57.9886 GPRESSAVG: 291600 57.8855 -36.8345 -2.92096 -36.2655 44.1726 -22.4862 -2.11954 -23.9462 -58.7626 TIMING: 291600 CPU: 870.779, 0.00297112/step Wall: 870.779, 0.00297112/step, 3.8859 hours remaining, 206.472656 MB of memory in use. ENERGY: 291600 743.0728 2081.1692 1898.7600 106.1622 -206466.6323 17883.4469 0.0000 0.0000 34347.8114 -149406.2098 299.9680 -183754.0212 -149304.2000 299.2120 -65.3884 -30.9171 558118.1162 14.4502 14.4318 PRESSURE: 291800 124.735 62.762 60.728 62.7619 -324.562 52.7879 60.7275 52.7882 -43.98 GPRESSURE: 291800 209.186 136.727 29.1489 98.5247 -311.236 -13.2047 89.2012 72.7006 -42.1893 PRESSAVG: 291800 45.0009 -13.3196 75.1691 -13.3196 -14.3831 16.5476 75.1692 16.5476 -25.2788 GPRESSAVG: 291800 44.5774 -14.4955 77.3914 -13.5959 -14.1599 14.7025 73.8486 17.6365 -25.4031 TIMING: 291800 CPU: 871.37, 0.00295643/step Wall: 871.37, 0.00295643/step, 3.86652 hours remaining, 206.472656 MB of memory in use. ENERGY: 291800 742.4458 2059.4821 1925.8057 95.6831 -206128.6289 17608.8149 0.0000 0.0000 34191.8722 -149504.5251 298.6061 -183696.3973 -149403.0017 298.5984 -81.2692 -48.0796 556696.2271 1.7797 1.6715 PRESSURE: 292000 -63.9748 -80.7615 -63.2442 -80.7604 -283.591 -71.9213 -63.2448 -71.919 -322.139 GPRESSURE: 292000 -7.51322 -47.8286 -173.731 -108.856 -220.802 -78.2519 -2.95175 -83.2057 -333.785 PRESSAVG: 292000 8.6988 5.47412 -16.8376 5.47404 -2.10128 -17.5011 -16.8375 -17.5011 2.54788 GPRESSAVG: 292000 8.20922 4.60466 -18.9816 3.33725 -1.75359 -17.3905 -14.5132 -19.2834 2.17984 TIMING: 292000 CPU: 871.962, 0.00295791/step Wall: 871.962, 0.00295791/step, 3.8683 hours remaining, 206.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 292000 760.4982 2092.8587 1903.2907 108.8975 -205992.1239 17545.2171 0.0000 0.0000 34164.9810 -149416.3807 298.3713 -183581.3618 -149314.7831 298.9849 -223.2352 -187.3668 558184.2970 3.0485 2.8785 PRESSURE: 292200 71.8745 -177.583 -0.0549026 -177.584 -160.487 -4.83583 -0.0551519 -4.83727 -101.891 GPRESSURE: 292200 97.5401 -86.8196 -45.3072 -183.854 -132.392 76.1719 4.1246 -50.3267 -64.775 PRESSAVG: 292200 3.08515 -39.0044 -18.9189 -39.0044 0.73057 -11.082 -18.919 -11.082 -8.9783 GPRESSAVG: 292200 3.24112 -38.52 -18.0713 -36.5422 -0.54549 -10.7533 -20.0661 -11.2321 -8.18894 TIMING: 292200 CPU: 872.558, 0.00298063/step Wall: 872.558, 0.00298063/step, 3.89783 hours remaining, 206.472656 MB of memory in use. ENERGY: 292200 763.7558 2072.4143 1920.2506 116.9290 -206144.1085 17746.5965 0.0000 0.0000 34229.9777 -149294.1847 298.9389 -183524.1624 -149202.9638 299.4534 -63.5013 -33.2089 558218.4158 -1.7209 -1.8311 LDB: ============= START OF LOAD BALANCING ============== 876.107 LDB: ============== END OF LOAD BALANCING =============== 876.107 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 876.108 LDB: ============= START OF LOAD BALANCING ============== 876.406 LDB: Largest compute 4796 load 0.028348 is 24.0% of average load 0.117885 LDB: Average compute 0.001739 is 1.5% of average load 0.117885 LDB: TIME 876.409 LOAD: AVG 0.117885 MAX 0.204045 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.984 MB LDB: TIME 876.409 LOAD: AVG 0.117885 MAX 0.204045 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.984 MB LDB: TIME 876.409 LOAD: AVG 0.117885 MAX 0.204045 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.984 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 876.411 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 876.415 PRESSURE: 292400 -91.9286 -99.2534 105.888 -99.253 -89.2244 -70.5093 105.886 -70.5098 -187.939 GPRESSURE: 292400 -88.4526 -124.347 42.9658 -34.2166 -5.19509 -106.027 116.682 -75.8474 -178.133 PRESSAVG: 292400 30.3289 -89.1294 -5.0677 -89.1294 7.16471 -27.9783 -5.06772 -27.9784 -29.6935 GPRESSAVG: 292400 30.0667 -88.1604 -6.47153 -90.4441 8.0463 -26.5557 -2.80414 -27.3932 -30.8339 TIMING: 292400 CPU: 873.165, 0.00303385/step Wall: 873.165, 0.00303385/step, 3.96726 hours remaining, 207.753906 MB of memory in use. ENERGY: 292400 751.1332 2084.8882 1921.3887 114.8846 -205886.9613 17597.0510 0.0000 0.0000 34230.8504 -149186.7651 298.9465 -183417.6155 -149091.2287 299.9363 -123.0306 -90.5937 558117.0388 2.6000 2.4264 PRESSURE: 292600 134.905 8.65319 79.5834 8.6534 29.2716 49.4748 79.5835 49.4748 92.8537 GPRESSURE: 292600 122.481 57.6691 73.0248 37.2653 27.0625 42.9296 94.17 98.9106 207.03 PRESSAVG: 292600 -10.4255 -5.88212 -10.4164 -5.88208 -33.3983 -46.9198 -10.4164 -46.9199 48.5634 GPRESSAVG: 292600 -10.2541 -5.71876 -9.50609 -5.8187 -35.4888 -46.996 -11.8029 -45.9521 50.1808 TIMING: 292600 CPU: 873.76, 0.00297721/step Wall: 873.76, 0.00297721/step, 3.89303 hours remaining, 208.011719 MB of memory in use. ENERGY: 292600 742.2409 2066.1144 1930.9654 113.8938 -206007.5640 18014.5082 0.0000 0.0000 34035.4705 -149104.3709 297.2402 -183139.8413 -149004.5975 299.4695 85.6767 118.8577 558555.6217 1.5799 1.4793 PRESSURE: 292800 -139.776 -14.7781 -1.75316 -14.7778 -36.2435 62.1703 -1.75325 62.1718 -6.54602 GPRESSURE: 292800 -111.849 -47.2071 -8.18293 -29.2089 44.9701 -21.5664 3.75381 87.1743 -10.6041 PRESSAVG: 292800 -3.71026 25.0493 26.9948 25.0494 -31.4473 20.0938 26.9949 20.0939 36.8658 GPRESSAVG: 292800 -2.31207 24.1709 26.6513 25.9071 -30.3513 18.6006 28.9838 19.3933 34.833 TIMING: 292800 CPU: 874.353, 0.00296322/step Wall: 874.353, 0.00296322/step, 3.87457 hours remaining, 208.011719 MB of memory in use. ENERGY: 292800 728.1812 2024.4254 1909.8700 112.0195 -205708.2971 17611.1103 0.0000 0.0000 34102.7812 -149219.9094 297.8281 -183322.6906 -149127.8748 298.4000 -60.8552 -25.8278 557241.5137 0.5694 0.7232 PRESSURE: 293000 -65.9406 -103.543 -20.1629 -103.543 -18.9995 -6.86219 -20.1637 -6.86449 -168.416 GPRESSURE: 293000 -35.3124 -128.88 0.218366 -168.265 14.8064 26.8419 -17.6619 14.243 -135.641 PRESSAVG: 293000 41.6734 -8.42138 -12.4995 -8.42136 -19.4864 -20.8808 -12.4994 -20.8807 -3.54836 GPRESSAVG: 293000 40.2265 -9.42527 -10.0103 -9.05063 -19.6208 -21.9827 -14.0469 -20.9541 -2.08775 TIMING: 293000 CPU: 874.942, 0.0029439/step Wall: 874.942, 0.0029439/step, 3.84915 hours remaining, 208.074219 MB of memory in use. ENERGY: 293000 736.5627 2043.7797 1948.3688 116.3148 -206132.0811 17728.3836 0.0000 0.0000 34327.1219 -149231.5496 299.7873 -183558.6715 -149136.3909 299.6922 -84.4521 -52.0491 555989.2537 6.2129 6.1726 PRESSURE: 293200 200.298 -114.591 178.394 -114.592 22.5082 76.0979 178.395 76.0971 232.464 GPRESSURE: 293200 255.098 -175.652 174.318 -63.6318 89.1876 22.1919 163.841 131.288 214.318 PRESSAVG: 293200 4.76737 23.1919 9.81674 23.1918 53.8825 46.2829 9.81678 46.2829 -62.6535 GPRESSAVG: 293200 6.19479 26.577 8.64155 20.5943 54.3768 48.1345 8.81234 46.0209 -64.1828 TIMING: 293200 CPU: 875.536, 0.00297133/step Wall: 875.536, 0.00297133/step, 3.88485 hours remaining, 208.074219 MB of memory in use. ENERGY: 293200 740.4976 2048.4959 1954.8276 110.8908 -206495.4206 18235.4164 0.0000 0.0000 34164.4018 -149240.8905 298.3662 -183405.2923 -149142.7691 299.7860 151.7566 186.2013 557026.6658 -1.3346 -1.2037 PRESSURE: 293400 14.5488 39.6923 87.3804 39.6929 -73.2998 32.2516 87.3808 32.2501 -77.9659 GPRESSURE: 293400 47.5442 32.1432 41.3164 37.6074 -54.5392 52.0914 142.613 19.5905 -37.4015 PRESSAVG: 293400 50.6379 -59.2886 13.7605 -59.2886 -7.94234 35.3811 13.7604 35.3811 -31.5133 GPRESSAVG: 293400 48.8613 -61.5963 11.3893 -56.8465 -8.42938 31.6994 13.1564 37.797 -29.4129 TIMING: 293400 CPU: 876.131, 0.00297659/step Wall: 876.131, 0.00297659/step, 3.89157 hours remaining, 208.074219 MB of memory in use. ENERGY: 293400 700.6149 2034.5680 1932.7660 125.2669 -205823.2963 17633.8645 0.0000 0.0000 34168.7435 -149227.4724 298.4041 -183396.2159 -149129.0690 298.7920 -45.5723 -14.7988 558037.3638 3.7274 3.6730 PRESSURE: 293600 26.4102 -144.039 -9.09657 -144.039 -24.4534 24.5803 -9.09706 24.5782 -68.7282 GPRESSURE: 293600 83.725 -125.629 -78.5871 -186.379 43.8981 38.664 -63.6187 34.6239 -90.6249 PRESSAVG: 293600 24.4039 -30.0523 0.962633 -30.0524 11.4865 21.3953 0.962572 21.3951 20.4276 GPRESSAVG: 293600 24.5288 -29.8095 2.35218 -31.3936 11.8776 24.0422 2.42797 19.732 20.4168 TIMING: 293600 CPU: 876.725, 0.0029684/step Wall: 876.725, 0.0029684/step, 3.88069 hours remaining, 208.074219 MB of memory in use. ENERGY: 293600 732.7651 2026.6888 1923.2942 123.7296 -206049.1014 17834.6757 0.0000 0.0000 34197.8883 -149210.0596 298.6587 -183407.9479 -149115.1275 298.9208 -22.2572 12.3327 557206.2861 18.7727 18.9411 PRESSURE: 293800 63.0632 -142.254 10.8796 -142.253 261.297 -179.217 10.8818 -179.217 -70.6113 GPRESSURE: 293800 45.9463 -152.624 -45.1426 -49.0058 279.252 -176.865 -55.0502 -117.437 17.2112 PRESSAVG: 293800 13.1054 -76.1091 -35.0446 -76.109 -30.1288 -13.2175 -35.0445 -13.2175 19.3116 GPRESSAVG: 293800 13.1801 -74.5963 -35.7562 -76.1272 -29.4917 -12.9782 -35.5867 -12.6617 18.3127 TIMING: 293800 CPU: 877.316, 0.00295672/step Wall: 877.316, 0.00295672/step, 3.86525 hours remaining, 208.074219 MB of memory in use. ENERGY: 293800 730.2994 2021.3417 1945.5100 126.8542 -206277.8246 18146.4132 0.0000 0.0000 34119.3761 -149188.0301 297.9730 -183307.4062 -149092.5466 298.6951 84.5831 114.1364 556729.0276 0.7627 0.6670 PRESSURE: 294000 -121.987 -94.2355 110.286 -94.2345 110.013 18.7721 110.285 18.7707 -85.1878 GPRESSURE: 294000 -116.78 -29.5963 68.2874 -138.104 152.227 96.8661 138.704 -29.8192 -45.0053 PRESSAVG: 294000 -64.5874 10.0296 13.812 10.0296 49.641 29.6866 13.8121 29.6867 37.0554 GPRESSAVG: 294000 -64.2662 10.0696 14.5402 11.4033 48.8834 28.425 14.6981 31.0999 37.6086 TIMING: 294000 CPU: 877.902, 0.00292747/step Wall: 877.902, 0.00292747/step, 3.82685 hours remaining, 208.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 294000 704.7547 2095.2259 1944.9021 111.0040 -205773.8234 17498.2682 0.0000 0.0000 34159.4735 -149260.1950 298.3232 -183419.6685 -149160.1662 298.9788 -32.3870 -3.1858 556209.2180 7.3697 7.4086 PRESSURE: 294200 95.1391 36.5839 32.9818 36.5827 -13.6355 -72.0176 32.9815 -72.0176 -80.2734 GPRESSURE: 294200 154.2 86.3477 48.7781 36.5717 -24.3179 -46.1923 -9.68774 -59.1659 -37.7442 PRESSAVG: 294200 -0.685147 19.7326 -13.4239 19.7325 -29.5845 8.75446 -13.4239 8.75445 4.59093 GPRESSAVG: 294200 -1.12103 18.4043 -14.0183 18.6209 -29.8351 10.2015 -14.2321 5.33396 5.75662 TIMING: 294200 CPU: 878.494, 0.00295944/step Wall: 878.494, 0.00295944/step, 3.86849 hours remaining, 208.074219 MB of memory in use. ENERGY: 294200 729.2318 2025.7848 1921.6113 109.3814 -206030.1220 17782.3291 0.0000 0.0000 33986.9215 -149474.8620 296.8162 -183461.7835 -149377.5403 298.0185 0.4101 30.7126 557235.4016 -8.5596 -8.3998 PRESSURE: 294400 -113.641 156.513 -210.745 156.514 -310.939 -3.332 -210.745 -3.33188 93.1543 GPRESSURE: 294400 -78.0383 162.875 -206.479 60.4318 -262.017 -16.5242 -197.441 8.44495 106.52 PRESSAVG: 294400 -14.1061 -30.3834 21.3093 -30.3835 -7.0446 42.4436 21.3093 42.4436 26.0595 GPRESSAVG: 294400 -12.3978 -30.8766 22.1212 -29.6376 -7.13915 43.1076 21.3097 42.4565 24.6578 TIMING: 294400 CPU: 879.084, 0.00295261/step Wall: 879.084, 0.00295261/step, 3.85939 hours remaining, 208.074219 MB of memory in use. ENERGY: 294400 752.9781 2037.7212 1914.7482 113.7412 -206311.5575 17808.4926 0.0000 0.0000 34037.4054 -149646.4708 297.2571 -183683.8762 -149556.4482 298.3085 -110.4753 -77.8451 558345.2544 1.6363 1.7069 PRESSURE: 294600 163.682 17.6785 103.265 17.6789 -105.921 162.916 103.265 162.915 101.245 GPRESSURE: 294600 229.443 -16.4711 49.0712 -26.0275 -60.0431 338.963 134.877 109.991 85.105 PRESSAVG: 294600 -58.9924 -13.9932 -41.6306 -13.9931 42.5798 41.9954 -41.6306 41.9955 7.45286 GPRESSAVG: 294600 -60.2626 -12.7705 -40.9842 -14.5964 42.2138 39.1518 -42.2025 45.0012 9.62378 TIMING: 294600 CPU: 879.677, 0.00296232/step Wall: 879.677, 0.00296232/step, 3.87191 hours remaining, 208.078125 MB of memory in use. ENERGY: 294600 685.3194 2070.1265 1945.6942 114.2975 -206149.3782 17760.2352 0.0000 0.0000 34078.5313 -149495.1742 297.6163 -183573.7055 -149404.4116 297.9551 53.0023 84.8350 556934.9466 -2.9866 -2.8083 PRESSURE: 294800 183.236 -36.3423 -112.814 -36.3417 -45.4176 -38.192 -112.815 -38.1926 -7.82909 GPRESSURE: 294800 120.564 -12.5063 -139.259 -22.9241 39.7607 -6.61614 -76.7345 -53.9618 62.9719 PRESSAVG: 294800 -41.646 -60.3588 6.37212 -60.3589 36.8332 12.9571 6.3721 12.9572 5.8537 GPRESSAVG: 294800 -41.5832 -60.1796 7.10178 -61.3173 37.4722 13.7864 6.70552 12.6069 5.03566 TIMING: 294800 CPU: 880.272, 0.00297493/step Wall: 880.272, 0.00297493/step, 3.88823 hours remaining, 208.078125 MB of memory in use. ENERGY: 294800 695.3079 2094.5383 1938.8312 112.1020 -206225.9745 17798.3997 0.0000 0.0000 34208.6857 -149378.1097 298.7530 -183586.7954 -149280.7075 298.5258 43.3299 74.4323 557478.3359 0.3470 0.3082 PRESSURE: 295000 110.253 59.4096 -51.8336 59.4094 117.355 56.9808 -51.8342 56.9814 181.015 GPRESSURE: 295000 151.52 55.1552 -13.3422 51.3575 145.19 84.4657 -123.243 10.9832 200.748 PRESSAVG: 295000 -42.101 19.9377 -1.59945 19.9377 -23.4694 1.58743 -1.59945 1.58736 47.7941 GPRESSAVG: 295000 -41.6175 16.8055 -4.24329 23.2479 -22.7357 2.05304 -2.85451 -0.84035 46.9239 TIMING: 295000 CPU: 880.876, 0.00301903/step Wall: 880.876, 0.00301903/step, 3.94571 hours remaining, 208.078125 MB of memory in use. ENERGY: 295000 719.3949 2115.5979 1918.7912 114.4063 -206301.7279 17845.8053 0.0000 0.0000 34375.6857 -149212.0466 300.2114 -183587.7323 -149121.9132 299.7173 136.2074 165.8192 557576.9181 -5.9254 -5.8098 PRESSURE: 295200 96.1568 -30.351 -149.187 -30.3512 101.006 23.8866 -149.188 23.8869 -206.165 GPRESSURE: 295200 107.511 -52.9321 -40.3627 -49.3271 109.005 38.7537 -125.541 -10.0563 -120.141 PRESSAVG: 295200 4.65644 11.8115 -48.0899 11.8115 -18.9586 19.4717 -48.0898 19.4718 31.1627 GPRESSAVG: 295200 4.72018 14.3397 -45.7119 8.05794 -19.1703 17.8173 -47.0725 20.0191 31.3784 TIMING: 295200 CPU: 881.473, 0.00298833/step Wall: 881.473, 0.00298833/step, 3.90542 hours remaining, 208.078125 MB of memory in use. ENERGY: 295200 758.0043 2059.4428 1977.4863 96.0898 -206123.8684 17904.6141 0.0000 0.0000 34281.5976 -149046.6335 299.3897 -183328.2311 -148952.7969 299.4836 -3.0008 32.1247 556268.6811 5.6202 5.6428 PRESSURE: 295400 -66.5521 88.9168 235.903 88.9169 54.0831 -9.65132 235.904 -9.64981 124.586 GPRESSURE: 295400 -26.1902 126.247 228.438 99.0772 82.8495 25.1243 318.78 9.97445 150.16 PRESSAVG: 295400 -21.3271 -3.20446 4.58978 -3.20439 -6.35421 23.1849 4.58977 23.1851 41.458 GPRESSAVG: 295400 -21.5325 -4.74703 1.5273 -1.22403 -7.3779 24.4239 4.08841 23.0986 42.4046 TIMING: 295400 CPU: 882.072, 0.00299351/step Wall: 882.072, 0.00299351/step, 3.91201 hours remaining, 208.078125 MB of memory in use. ENERGY: 295400 715.3795 2066.6541 1910.7475 108.1546 -206061.4847 17734.4253 0.0000 0.0000 34432.9063 -149093.2174 300.7111 -183526.1237 -148994.1689 299.4219 37.3724 68.9398 557045.1683 4.5922 4.4981 PRESSURE: 295600 233.392 -68.9017 -73.743 -68.9026 100.66 34.0482 -73.7438 34.0479 -211.861 GPRESSURE: 295600 255.154 25.8991 -147.608 -57.469 131.547 -18.4007 49.2891 35.2576 -174.814 PRESSAVG: 295600 94.5705 -18.5608 -1.88564 -18.5607 -7.28768 -26.3077 -1.88566 -26.3076 -70.1955 GPRESSAVG: 295600 95.0383 -16.9351 0.0156414 -17.7062 -6.54444 -26.4856 -2.57845 -26.1074 -71.1649 TIMING: 295600 CPU: 882.672, 0.00299839/step Wall: 882.672, 0.00299839/step, 3.91823 hours remaining, 208.078125 MB of memory in use. ENERGY: 295600 708.7026 2097.2108 1914.1048 117.5550 -206197.1706 17822.7586 0.0000 0.0000 34244.0359 -149292.8030 299.0617 -183536.8389 -149201.0005 299.5171 40.7303 70.6288 556082.6974 5.6958 5.7763 PRESSURE: 295800 10.8873 -80.2059 12.9814 -80.206 60.4915 96.0497 12.9811 96.0495 -67.179 GPRESSURE: 295800 41.7513 -51.8592 -14.4703 -104.976 90.8721 112.232 7.90068 -7.10616 -47.7212 PRESSAVG: 295800 -12.0948 -33.3612 25.4549 -33.3613 19.9435 64.9953 25.4549 64.9953 37.1872 GPRESSAVG: 295800 -12.6555 -33.1144 26.392 -35.6591 18.9368 64.7017 24.2405 63.4836 38.6041 TIMING: 295800 CPU: 883.27, 0.00299086/step Wall: 883.27, 0.00299086/step, 3.90823 hours remaining, 208.078125 MB of memory in use. ENERGY: 295800 755.0636 2115.3762 1911.5165 101.0593 -206144.0838 17672.5560 0.0000 0.0000 34135.2693 -149453.2429 298.1118 -183588.5122 -149359.3630 298.7249 1.3999 28.3007 556401.9324 15.0120 14.9618 PRESSURE: 296000 -128.85 127.173 -159.216 127.174 -42.2056 114.759 -159.216 114.758 -238.006 GPRESSURE: 296000 -69.8196 42.2554 -98.7623 85.3757 -67.8718 110.426 -207.913 57.7638 -172.948 PRESSAVG: 296000 43.3386 -2.24267 -53.0213 -2.24269 -37.5556 40.6395 -53.0212 40.6396 -21.4436 GPRESSAVG: 296000 43.8736 -4.85553 -55.7526 0.882458 -36.5673 40.1867 -48.9778 41.92 -22.7082 TIMING: 296000 CPU: 883.868, 0.00299018/step Wall: 883.868, 0.00299018/step, 3.90716 hours remaining, 208.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 296000 773.3916 2089.6615 1950.6819 105.8310 -205974.7714 17624.1299 0.0000 0.0000 34107.9331 -149323.1424 297.8731 -183431.0755 -149233.6019 298.2287 -136.3537 -103.5466 559639.3780 -5.2202 -5.1340 PRESSURE: 296200 30.4173 7.89434 84.4754 7.89494 -244.156 -121.233 84.4745 -121.233 117.585 GPRESSURE: 296200 73.5326 -44.6748 74.8923 29.8944 -257.941 -143.798 140.639 -53.653 176.424 PRESSAVG: 296200 8.19341 -14.4431 -30.4132 -14.4431 -14.8263 -5.08959 -30.4132 -5.08966 50.2476 GPRESSAVG: 296200 8.12256 -13.4024 -30.8248 -15.6257 -14.964 -5.47532 -32.5159 -4.94495 51.0134 TIMING: 296200 CPU: 884.464, 0.0029827/step Wall: 884.464, 0.0029827/step, 3.89723 hours remaining, 208.078125 MB of memory in use. ENERGY: 296200 739.7227 2072.9045 1932.3414 111.4058 -205952.2787 17785.3975 0.0000 0.0000 34186.6032 -149123.9037 298.5601 -183310.5069 -149025.8980 298.9344 -32.0512 -2.6615 557187.9238 14.5383 14.7240 LDB: ============= START OF LOAD BALANCING ============== 888.013 LDB: ============== END OF LOAD BALANCING =============== 888.013 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 888.015 LDB: ============= START OF LOAD BALANCING ============== 888.313 LDB: Largest compute 4795 load 0.028688 is 24.3% of average load 0.117999 LDB: Average compute 0.001732 is 1.5% of average load 0.117999 LDB: TIME 888.315 LOAD: AVG 0.117999 MAX 0.209087 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.309 MB LDB: TIME 888.316 LOAD: AVG 0.117999 MAX 0.209087 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.309 MB LDB: TIME 888.316 LOAD: AVG 0.117999 MAX 0.209087 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.309 MB LDB: ============== END OF LOAD BALANCING =============== 888.317 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 888.321 PRESSURE: 296400 -281.498 115.911 -154.352 115.91 62.3246 -105.889 -154.352 -105.889 296.963 GPRESSURE: 296400 -271.143 116.377 -100.45 150.106 132.344 15.3063 -115.441 -114.805 324.684 PRESSAVG: 296400 -30.0993 46.9898 -7.58836 46.9898 -64.7107 -10.0666 -7.58847 -10.0666 72.6295 GPRESSAVG: 296400 -29.0408 47.2264 -4.61272 47.0451 -64.6816 -9.99183 -7.72646 -9.5363 71.9102 TIMING: 296400 CPU: 885.072, 0.00303617/step Wall: 885.072, 0.00303617/step, 3.96693 hours remaining, 207.242188 MB of memory in use. ENERGY: 296400 729.7862 2077.6727 1928.8849 106.8577 -205845.1242 17749.2044 0.0000 0.0000 34128.5150 -149124.2033 298.0528 -183252.7183 -149029.0170 299.7815 25.9298 61.9617 557129.3462 -7.3935 -7.2707 PRESSURE: 296600 -74.3733 20.0129 -23.1153 20.0137 -325.733 73.329 -23.1146 73.3291 53.3228 GPRESSURE: 296600 -95.9305 -68.6483 -96.1829 58.1896 -267.933 110.178 13.6033 122.699 110.289 PRESSAVG: 296600 22.2848 84.6346 23.152 84.6345 23.4559 -23.7182 23.1518 -23.7183 31.9792 GPRESSAVG: 296600 21.1298 85.8467 20.7729 82.3596 21.9898 -22.7496 24.1629 -25.3741 34.3148 TIMING: 296600 CPU: 885.668, 0.00298197/step Wall: 885.668, 0.00298197/step, 3.89594 hours remaining, 207.242188 MB of memory in use. ENERGY: 296600 772.1677 2116.8813 1940.9296 113.8032 -206144.0273 17810.4676 0.0000 0.0000 34146.8735 -149242.9045 298.2131 -183389.7780 -149147.0215 299.4676 -115.5946 -84.5248 556611.8581 25.9066 25.8115 PRESSURE: 296800 -288.948 120.642 -124.441 120.642 -263.069 1.3854 -124.44 1.38442 -403.514 GPRESSURE: 296800 -336.249 131.789 -106.673 81.9548 -182.182 46.9467 -196.992 34.935 -340.931 PRESSAVG: 296800 62.1204 12.6725 -25.6881 12.6724 -78.8727 64.8427 -25.6881 64.8427 7.25687 GPRESSAVG: 296800 62.5104 13.0383 -24.735 14.3824 -77.762 63.0622 -24.4888 66.5375 5.95773 TIMING: 296800 CPU: 886.261, 0.00296644/step Wall: 886.261, 0.00296644/step, 3.87549 hours remaining, 207.242188 MB of memory in use. ENERGY: 296800 817.9973 2085.9708 1947.5490 102.3290 -205867.3447 17472.8880 0.0000 0.0000 34441.3066 -148999.3040 300.7845 -183440.6106 -148906.7204 299.7250 -318.5100 -286.4540 557961.9802 -3.1651 -3.0979 PRESSURE: 297000 -283.043 112.395 36.5734 112.395 -52.8954 -135.572 36.5731 -135.573 69.0917 GPRESSURE: 297000 -302.181 134.877 11.462 101.38 -51.4265 -91.754 90.4653 -93.3701 177.007 PRESSAVG: 297000 -7.32669 -16.6786 11.1019 -16.6785 -26.8163 -24.5302 11.1019 -24.5301 18.9469 GPRESSAVG: 297000 -8.38064 -18.3409 10.8895 -17.5433 -26.2167 -22.6612 9.5129 -24.8878 19.3447 TIMING: 297000 CPU: 886.858, 0.00298208/step Wall: 886.858, 0.00298208/step, 3.89576 hours remaining, 207.242188 MB of memory in use. ENERGY: 297000 714.2137 2102.0777 1949.5664 113.3948 -205808.1580 17692.5868 0.0000 0.0000 34250.2656 -148986.0530 299.1161 -183236.3186 -148889.2487 300.4817 -88.9487 -58.8669 558216.5997 -5.0654 -5.0842 PRESSURE: 297200 284.543 83.3355 155.471 83.3356 -99.7077 33.8746 155.47 33.875 333.356 GPRESSURE: 297200 337.241 54.1071 164.664 87.8027 -56.8096 -32.476 143.499 57.1351 329.249 PRESSAVG: 297200 -12.6076 33.2914 27.4935 33.2914 -29.2475 16.0177 27.4935 16.0175 46.8228 GPRESSAVG: 297200 -11.4796 35.6803 24.8295 31.9962 -29.6764 16.3186 28.7735 15.2798 46.0532 TIMING: 297200 CPU: 887.46, 0.00301342/step Wall: 887.46, 0.00301342/step, 3.93653 hours remaining, 207.242188 MB of memory in use. ENERGY: 297200 739.3491 2100.7122 1915.2421 108.9366 -206257.3322 18073.4355 0.0000 0.0000 34432.5949 -148887.0619 300.7084 -183319.6568 -148787.6270 299.9695 172.7303 203.2270 557980.2701 1.6559 1.6324 PRESSURE: 297400 -332.18 -57.6277 -60.3834 -57.6296 42.6439 105.539 -60.3831 105.54 -122.102 GPRESSURE: 297400 -306.033 -109.701 -2.5548 -3.15447 87.1877 133.754 -85.1784 119.975 -100.315 PRESSAVG: 297400 -12.9771 -31.1587 -41.8628 -31.1587 24.2814 -10.7126 -41.8629 -10.7125 -5.1915 GPRESSAVG: 297400 -14.1273 -33.2428 -38.6448 -29.7304 24.479 -11.9311 -43.9333 -11.4645 -4.14786 TIMING: 297400 CPU: 888.06, 0.00300021/step Wall: 888.06, 0.00300021/step, 3.91911 hours remaining, 207.242188 MB of memory in use. ENERGY: 297400 776.6644 2122.3835 1928.5091 128.4614 -205930.5449 17715.3442 0.0000 0.0000 34253.9838 -149005.1986 299.1486 -183259.1823 -148909.1334 299.8390 -137.2127 -106.3866 558624.8523 2.0376 2.0679 PRESSURE: 297600 75.6592 -172.325 -114.409 -172.325 268.813 -123.95 -114.41 -123.951 481.563 GPRESSURE: 297600 144.646 -134.98 -89.079 -200.617 290.481 -87.6334 -69.9747 -82.3089 484.547 PRESSAVG: 297600 -71.5335 -51.8312 -17.1326 -51.8312 35.2549 2.1629 -17.1325 2.16281 16.9641 GPRESSAVG: 297600 -70.9479 -51.2288 -17.2952 -49.5575 35.2437 4.17378 -17.74 3.34378 16.5893 TIMING: 297600 CPU: 888.65, 0.00294565/step Wall: 888.65, 0.00294565/step, 3.84767 hours remaining, 207.242188 MB of memory in use. ENERGY: 297600 707.0552 2094.6310 1953.9776 110.6005 -206915.0404 18415.3909 0.0000 0.0000 34516.9344 -149116.4509 301.4450 -183633.3853 -149019.4288 299.5664 275.3450 306.5582 556844.2927 -6.4381 -6.3716 PRESSURE: 297800 33.4073 -143.846 59.8936 -143.846 -7.96438 104.141 59.8941 104.141 21.2631 GPRESSURE: 297800 108.895 -131.461 38.2735 -147.452 -1.58721 173.71 38.0115 -6.02108 46.8671 PRESSAVG: 297800 -28.583 -48.656 15.8159 -48.6561 47.0835 16.7906 15.8158 16.7905 -14.7635 GPRESSAVG: 297800 -28.4903 -48.0842 16.8216 -50.3793 46.2307 13.757 16.6132 15.9255 -14.3939 TIMING: 297800 CPU: 889.243, 0.00296795/step Wall: 889.243, 0.00296795/step, 3.87664 hours remaining, 207.242188 MB of memory in use. ENERGY: 297800 773.5127 2091.1262 1921.8358 119.2753 -206668.0375 18140.9499 0.0000 0.0000 34384.7761 -149236.5616 300.2908 -183621.3377 -149140.9829 299.7876 15.5687 51.3917 558615.4613 1.2456 1.1155 PRESSURE: 298000 -162.691 -91.6626 -150.017 -91.6632 110.352 18.0491 -150.018 18.049 -178.179 GPRESSURE: 298000 -115.921 -65.0901 -109.362 -92.0393 111.188 77.0493 -167.764 62.9546 -121.77 PRESSAVG: 298000 22.7439 -28.0759 46.5459 -28.076 10.5248 1.87766 46.5458 1.87765 -20.1465 GPRESSAVG: 298000 22.8394 -30.385 44.3656 -29.0239 10.8867 5.45917 48.285 2.48851 -20.9683 TIMING: 298000 CPU: 889.835, 0.00295871/step Wall: 889.835, 0.00295871/step, 3.8644 hours remaining, 207.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 298000 727.9815 2029.8972 1920.6643 104.8292 -206139.8175 17866.8976 0.0000 0.0000 34494.1561 -148995.3915 301.2460 -183489.5477 -148889.1341 299.1841 -76.8394 -42.1675 558792.2921 4.3741 4.2526 PRESSURE: 298200 -288.51 -23.3015 173.243 -23.3016 -69.4293 -33.335 173.242 -33.3336 -240.939 GPRESSURE: 298200 -225.179 -67.619 247.016 25.1134 -60.5434 -71.4513 119.183 -134.552 -224.192 PRESSAVG: 298200 22.1965 -19.9228 22.7899 -19.9229 -19.1243 13.4276 22.7899 13.4277 -1.82714 GPRESSAVG: 298200 22.0486 -18.972 24.4754 -18.2069 -19.978 13.1751 21.0481 13.2586 -1.57462 TIMING: 298200 CPU: 890.427, 0.00296275/step Wall: 890.427, 0.00296275/step, 3.86951 hours remaining, 207.242188 MB of memory in use. ENERGY: 298200 737.0477 2078.8009 1920.3334 126.5494 -205697.0028 17483.9116 0.0000 0.0000 34134.0998 -149216.2602 298.1016 -183350.3599 -149115.1056 299.8859 -199.6260 -169.9715 558519.0701 0.4150 0.1653 PRESSURE: 298400 -292.018 106.254 -226.613 106.253 65.1122 91.074 -226.611 91.0752 -182.439 GPRESSURE: 298400 -317.056 49.4836 -188.88 120.681 87.2177 256.645 -129.449 -22.0988 -88.1479 PRESSAVG: 298400 -49.0876 60.7263 47.7802 60.7264 -46.641 19.3726 47.7802 19.3725 59.4585 GPRESSAVG: 298400 -49.0594 59.3713 47.2654 59.9863 -46.0091 19.7936 48.7425 19.8945 58.6191 TIMING: 298400 CPU: 891.023, 0.00297837/step Wall: 891.023, 0.00297837/step, 3.88976 hours remaining, 207.242188 MB of memory in use. ENERGY: 298400 745.4271 2120.0544 1917.1690 116.5744 -205483.9680 17548.4092 0.0000 0.0000 34048.7744 -148987.5595 297.3564 -183036.3339 -148889.3397 299.9956 -136.4484 -105.9953 557792.7333 -12.0900 -12.1498 PRESSURE: 298600 -16.3442 40.7248 141.523 40.7251 36.4307 59.9435 141.523 59.9451 136.512 GPRESSURE: 298600 48.1744 17.016 156.852 33.59 29.7205 46.5668 123.012 118.435 177.597 PRESSAVG: 298600 -6.42123 62.2354 25.4164 62.2355 -61.484 -17.5396 25.4165 -17.5397 92.3516 GPRESSAVG: 298600 -7.16041 61.6068 25.4988 65.1308 -61.4244 -20.4167 26.1441 -18.0414 93.3331 TIMING: 298600 CPU: 891.618, 0.002975/step Wall: 891.618, 0.002975/step, 3.88519 hours remaining, 207.242188 MB of memory in use. ENERGY: 298600 713.1836 2095.2922 1912.7093 113.1231 -205789.3327 17772.0431 0.0000 0.0000 34308.8429 -148874.1386 299.6277 -183182.9815 -148778.3051 299.5213 52.1996 85.1640 559428.2791 8.1488 8.2494 PRESSURE: 298800 -224.238 -62.9811 -60.7745 -62.9807 7.45267 8.78084 -60.7748 8.7803 -451.313 GPRESSURE: 298800 -184.154 -76.3486 65.0496 1.36163 11.3104 28.0162 -149.41 -31.7282 -388.412 PRESSAVG: 298800 -54.7347 6.82625 18.3099 6.8263 59.5232 4.88677 18.3099 4.88677 17.4392 GPRESSAVG: 298800 -55.3511 9.97889 15.8548 2.44327 59.9399 3.89473 18.846 6.56681 17.6046 TIMING: 298800 CPU: 892.218, 0.00299926/step Wall: 892.218, 0.00299926/step, 3.9167 hours remaining, 207.242188 MB of memory in use. ENERGY: 298800 748.3627 2089.2703 1917.1930 105.2491 -205926.9674 17707.4195 0.0000 0.0000 34504.9544 -148854.5184 301.3403 -183359.4728 -148754.4984 300.0612 -222.6994 -187.0853 559977.0368 7.4092 7.3978 PRESSURE: 299000 -202.033 33.5841 103.694 33.584 66.618 -122.36 103.694 -122.362 -43.8561 GPRESSURE: 299000 -196.805 -21.8492 62.1302 8.51945 79.2313 -141.684 103.705 -80.2185 36.1419 PRESSAVG: 299000 -7.90864 23.6883 -49.1652 23.6883 -27.9942 -22.4588 -49.1652 -22.4588 -16.2134 GPRESSAVG: 299000 -7.65459 21.9119 -46.9376 25.8159 -28.6 -19.8147 -49.3797 -23.1221 -15.552 TIMING: 299000 CPU: 892.819, 0.0030056/step Wall: 892.819, 0.0030056/step, 3.92481 hours remaining, 207.242188 MB of memory in use. ENERGY: 299000 731.6377 2084.0480 1917.4429 98.0502 -205630.9859 17544.8223 0.0000 0.0000 34274.0836 -148980.9012 299.3241 -183254.9848 -148886.4354 299.9824 -59.7571 -27.1440 557891.6770 -17.3721 -17.2688 PRESSURE: 299200 -104.149 76.2865 -90.0841 76.2876 -103.153 137.017 -90.0846 137.019 258.795 GPRESSURE: 299200 -91.4845 61.6479 -77.803 60.5427 -17.1967 -3.08693 -72.3268 260.495 263.313 PRESSAVG: 299200 58.8373 18.0969 36.6686 18.0969 -63.456 -16.0692 36.6686 -16.0691 -15.9128 GPRESSAVG: 299200 58.5991 19.9894 36.1722 17.4047 -63.2931 -16.0708 34.9276 -17.2294 -16.2956 TIMING: 299200 CPU: 893.417, 0.00299131/step Wall: 893.417, 0.00299131/step, 3.90599 hours remaining, 207.242188 MB of memory in use. ENERGY: 299200 729.9114 2100.1075 1931.3710 124.3514 -205977.9134 17760.2290 0.0000 0.0000 34252.6030 -149079.3402 299.1365 -183331.9432 -148987.3124 300.3257 17.1642 51.5440 556620.7176 -6.8439 -6.9965 PRESSURE: 299400 -278.914 72.4675 -36.8604 72.4679 -64.3163 165.361 -36.8606 165.361 4.66473 GPRESSURE: 299400 -265.973 45.0614 -57.1811 32.4299 -47.4569 114.076 -83.9345 214.336 64.1762 PRESSAVG: 299400 -20.9901 16.309 -0.749714 16.3091 -27.6715 -0.27424 -0.749701 -0.274116 64.8403 GPRESSAVG: 299400 -21.0413 15.0285 -0.139603 16.7982 -26.6951 -1.94583 0.094 0.532689 63.871 TIMING: 299400 CPU: 894.013, 0.0029807/step Wall: 894.013, 0.0029807/step, 3.89197 hours remaining, 207.242188 MB of memory in use. ENERGY: 299400 745.0330 2076.3125 1921.1250 108.0773 -205663.7255 17437.0168 0.0000 0.0000 34311.8449 -149064.3160 299.6539 -183376.1608 -148968.4664 299.9730 -112.8552 -83.0845 558273.7362 5.3929 5.3782 PRESSURE: 299600 -256.096 141.55 20.8707 141.548 -3.32246 69.3038 20.871 69.3032 136.531 GPRESSURE: 299600 -219.668 171.406 -50.5194 80.8148 82.7539 87.6657 39.6746 -8.78731 105.281 PRESSAVG: 299600 11.181 7.13626 1.9995 7.13624 -22.109 22.3787 1.99944 22.3788 19.0112 GPRESSAVG: 299600 11.3271 8.59029 3.59089 6.03927 -22.1209 23.5098 2.33772 22.8768 19.0005 TIMING: 299600 CPU: 894.608, 0.0029748/step Wall: 894.608, 0.0029748/step, 3.88409 hours remaining, 207.242188 MB of memory in use. ENERGY: 299600 722.5724 2116.2366 1923.4159 107.1936 -206165.6770 17899.8977 0.0000 0.0000 34446.2959 -148950.0650 300.8281 -183396.3608 -148857.0157 300.6837 -40.9627 -10.5443 558068.4399 2.6944 2.7355 PRESSURE: 299800 -198.76 -52.4985 119.684 -52.4985 109.225 20.5618 119.684 20.5619 -117.023 GPRESSURE: 299800 -225.99 8.73321 125.733 -122.742 149.473 -8.85474 93.3847 12.2175 -36.8036 PRESSAVG: 299800 -5.83412 45.6392 27.0777 45.6392 -23.9077 -12.7266 27.0776 -12.7267 102.001 GPRESSAVG: 299800 -5.65234 46.2212 25.5219 46.1089 -23.7032 -12.6251 26.4431 -14.2806 101.795 TIMING: 299800 CPU: 895.203, 0.00297138/step Wall: 895.203, 0.00297138/step, 3.87947 hours remaining, 207.242188 MB of memory in use. ENERGY: 299800 766.0758 2092.0457 1931.7153 103.7262 -205840.4974 17538.7480 0.0000 0.0000 34346.6576 -149061.5286 299.9579 -183408.1862 -148967.0384 300.7426 -68.8528 -37.7733 556637.1088 24.0865 24.1466 PRESSURE: 300000 -34.593 -107.338 -182.745 -107.338 112.897 106.931 -182.746 106.929 -38.8967 GPRESSURE: 300000 -11.984 -132.298 -299.149 -121.872 117.451 64.6059 -135.897 86.5994 26.7545 PRESSAVG: 300000 -22.7086 38.0533 34.2609 38.0533 -2.4964 13.1664 34.2608 13.1664 -11.2906 GPRESSAVG: 300000 -23.9146 37.5942 34.0181 37.8915 -2.38994 14.1493 33.9574 14.8453 -10.0416 TIMING: 300000 CPU: 895.795, 0.00296174/step Wall: 895.795, 0.00296174/step, 3.86671 hours remaining, 207.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 300000 745.3704 2097.1582 1939.7140 116.1707 -206027.7264 17703.1175 0.0000 0.0000 34364.8393 -149061.3564 300.1167 -183426.1957 -148967.1989 299.9451 13.1357 44.0738 557795.1370 -12.1652 -12.1154 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 300000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 300000 WRITING COORDINATES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART COORDINATES The last position output (seq=300000) takes 0.010 seconds, 207.242 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=300000) takes 0.004 seconds, 207.242 MB of memory in use PRESSURE: 300200 -159.986 8.92225 -165.649 8.92119 178.707 -29.6039 -165.649 -29.6052 -34.7126 GPRESSURE: 300200 -198.371 58.2236 -87.9739 6.90452 282.278 40.4506 -135.885 -19.2935 -18.8883 PRESSAVG: 300200 -54.6739 -7.98822 30.8421 -7.98825 21.0386 -14.1816 30.842 -14.1817 27.9282 GPRESSAVG: 300200 -53.6699 -6.06025 31.4314 -8.69466 22.1347 -13.0569 32.355 -16.7328 26.5508 TIMING: 300200 CPU: 896.403, 0.00303983/step Wall: 896.403, 0.00303983/step, 3.9685 hours remaining, 207.242188 MB of memory in use. ENERGY: 300200 733.6005 2051.9932 1927.0613 117.5601 -206032.5821 17795.3175 0.0000 0.0000 34349.0241 -149058.0253 299.9786 -183407.0494 -148961.0728 300.3098 -5.3302 21.6729 558024.4135 -1.9023 -1.6615 LDB: ============= START OF LOAD BALANCING ============== 899.949 LDB: ============== END OF LOAD BALANCING =============== 899.949 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 899.951 LDB: ============= START OF LOAD BALANCING ============== 900.248 LDB: Largest compute 4773 load 0.027104 is 23.0% of average load 0.118060 LDB: Average compute 0.001730 is 1.5% of average load 0.118060 LDB: TIME 900.25 LOAD: AVG 0.11806 MAX 0.205607 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.785 MB LDB: TIME 900.25 LOAD: AVG 0.11806 MAX 0.205607 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.785 MB LDB: TIME 900.25 LOAD: AVG 0.11806 MAX 0.205607 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.785 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 900.252 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 900.256 PRESSURE: 300400 -146.581 36.4527 71.9009 36.4519 -2.94041 55.5558 71.9001 55.5568 -155.744 GPRESSURE: 300400 -168.627 28.291 86.6885 76.5905 92.9779 -38.9057 24.3253 35.6575 -144.047 PRESSAVG: 300400 4.72878 -4.21762 -18.213 -4.21762 58.2599 41.8062 -18.213 41.8063 -94.9431 GPRESSAVG: 300400 5.19622 -5.79807 -17.8655 -4.49967 56.7129 41.1751 -20.0107 43.4224 -93.4845 TIMING: 300400 CPU: 897.007, 0.0030187/step Wall: 897.007, 0.0030187/step, 3.94075 hours remaining, 206.472656 MB of memory in use. ENERGY: 300400 750.0588 2044.8974 1905.2794 110.9278 -205501.8334 17533.2715 0.0000 0.0000 34344.9254 -148812.4730 299.9428 -183157.3984 -148716.6216 299.7310 -101.7553 -73.2321 558766.6832 -10.6515 -10.5251 PRESSURE: 300600 -81.4572 -61.8547 -102.465 -61.8558 65.9513 -42.0995 -102.466 -42.0983 -132.953 GPRESSURE: 300600 -66.4294 13.1611 -125.329 -82.1217 109.325 -11.7833 -20.1021 -84.3537 -103.274 PRESSAVG: 300600 29.3148 15.5459 39.6714 15.5459 17.6529 23.5886 39.6714 23.5886 -20.474 GPRESSAVG: 300600 28.1147 15.6701 40.453 15.0132 18.1319 22.3706 39.7851 25.0777 -19.8533 TIMING: 300600 CPU: 897.6, 0.00296481/step Wall: 897.6, 0.00296481/step, 3.87023 hours remaining, 206.472656 MB of memory in use. ENERGY: 300600 776.2751 2094.6107 1922.5963 108.7416 -205798.5378 17684.6983 0.0000 0.0000 34290.8966 -148920.7190 299.4709 -183211.6157 -148831.0509 300.2109 -49.4864 -20.1264 557639.9583 8.8313 8.7978 PRESSURE: 300800 -305.955 -60.7874 147.439 -60.7875 29.913 24.317 147.44 24.317 297.384 GPRESSURE: 300800 -265.037 -56.4541 210.963 -32.6573 90.6667 -6.22042 29.7408 34.521 291.303 PRESSAVG: 300800 47.2386 -18.9493 -15.2802 -18.9494 -38.4456 38.1143 -15.2802 38.1144 -3.85777 GPRESSAVG: 300800 48.3803 -19.2906 -16.4529 -16.1115 -40.1741 38.906 -13.7803 38.324 -3.44688 TIMING: 300800 CPU: 898.188, 0.00294137/step Wall: 898.188, 0.00294137/step, 3.83946 hours remaining, 206.472656 MB of memory in use. ENERGY: 300800 758.0835 2105.7612 1914.1221 104.9834 -205955.7479 17723.1647 0.0000 0.0000 34168.8337 -149180.7994 298.4049 -183349.6331 -149088.6668 299.3296 7.1143 38.9779 556847.7009 1.6451 1.5864 PRESSURE: 301000 23.64 -47.6521 185.884 -47.652 92.933 -32.105 185.883 -32.1039 -29.5018 GPRESSURE: 301000 48.2842 -20.7152 242.553 -77.4722 186.511 39.8712 90.6362 -81.2126 -68.4655 PRESSAVG: 301000 -23.6892 4.78522 -11.1709 4.78521 -0.831834 -3.148 -11.1708 -3.14802 41.2363 GPRESSAVG: 301000 -23.8246 3.52151 -8.10656 4.85552 0.607681 -3.24129 -14.1955 -4.01107 40.574 TIMING: 301000 CPU: 898.78, 0.0029595/step Wall: 898.78, 0.0029595/step, 3.86297 hours remaining, 206.472656 MB of memory in use. ENERGY: 301000 768.6645 2120.1981 1936.1096 111.4253 -206159.5440 17803.3057 0.0000 0.0000 34290.4540 -149129.3870 299.4671 -183419.8410 -149032.1038 299.4722 29.0237 55.4431 556749.6892 5.5718 5.7857 PRESSURE: 301200 -56.3651 107.212 -21.5521 107.212 1.75551 130.088 -21.5504 130.088 289.71 GPRESSURE: 301200 37.6147 99.2909 54.8914 17.0873 12.378 82.449 -1.35264 107.499 280.912 PRESSAVG: 301200 -34.6874 -4.15996 35.0498 -4.16006 14.3258 18.0116 35.0498 18.0117 21.5501 GPRESSAVG: 301200 -32.9659 -2.18818 32.8872 -5.96586 13.0879 16.4259 37.0929 19.1967 21.5276 TIMING: 301200 CPU: 899.377, 0.00298774/step Wall: 899.377, 0.00298774/step, 3.89967 hours remaining, 206.472656 MB of memory in use. ENERGY: 301200 752.3870 2042.1217 1928.8131 118.3300 -206288.5934 17928.7113 0.0000 0.0000 34388.6552 -149129.5752 300.3247 -183518.2303 -149027.6901 299.7309 78.3667 110.3017 558181.3455 0.3962 0.5499 PRESSURE: 301400 134.884 179.594 62.019 179.593 275.16 95.2087 62.02 95.2097 115.989 GPRESSURE: 301400 107.869 182.895 9.27895 72.0476 368.595 125.246 90.6566 178.923 132.3 PRESSAVG: 301400 -19.7626 45.5248 9.8851 45.5248 38.9766 59.3848 9.88514 59.3848 -7.20237 GPRESSAVG: 301400 -19.853 45.7607 9.93275 46.8005 40.1277 62.6227 9.84386 56.7475 -8.0897 TIMING: 301400 CPU: 899.977, 0.00299761/step Wall: 899.977, 0.00299761/step, 3.91238 hours remaining, 206.472656 MB of memory in use. ENERGY: 301400 721.6813 2110.5103 1907.3295 101.1107 -206368.8217 18055.1719 0.0000 0.0000 34223.8801 -149249.1380 298.8857 -183473.0181 -149151.0161 299.3466 175.3445 202.9212 559739.3269 4.0039 4.0617 PRESSURE: 301600 -29.0252 -44.5405 0.205208 -44.542 97.1308 -176.312 0.204992 -176.311 -62.1171 GPRESSURE: 301600 -31.029 -45.1286 11.5225 -97.2024 124.497 -282.961 49.5478 -62.8744 16.7563 PRESSAVG: 301600 -18.4047 -5.76995 4.86354 -5.76987 -4.56089 -29.1669 4.86354 -29.167 -4.94024 GPRESSAVG: 301600 -19.8614 -6.40211 4.63372 -5.991 -3.96426 -31.0222 5.87226 -26.9863 -3.50383 TIMING: 301600 CPU: 900.571, 0.00297134/step Wall: 900.571, 0.00297134/step, 3.87793 hours remaining, 206.472656 MB of memory in use. ENERGY: 301600 718.5624 2062.5972 1931.9188 119.5448 -206368.7794 17842.6331 0.0000 0.0000 34455.9390 -149237.5840 300.9123 -183693.5231 -149141.6834 298.9315 1.9962 36.7416 559259.5521 -9.3019 -9.1098 PRESSURE: 301800 -340.381 -115.979 -17.6899 -115.979 -469.334 -83.9157 -17.6895 -83.9159 20.6102 GPRESSURE: 301800 -317.895 -55.2149 -1.0848 -89.7903 -415.639 -58.7653 -46.7039 1.93765 40.4788 PRESSAVG: 301800 14.4149 -25.5809 4.29144 -25.5811 -7.85706 -25.8689 4.29134 -25.8691 21.4321 GPRESSAVG: 301800 15.144 -24.9712 4.63524 -25.8415 -7.81162 -24.4954 3.52548 -27.0704 21.0798 TIMING: 301800 CPU: 901.168, 0.00298197/step Wall: 901.168, 0.00298197/step, 3.89164 hours remaining, 206.472656 MB of memory in use. ENERGY: 301800 719.2047 2055.5562 1921.6853 113.3120 -206169.3286 17539.5397 0.0000 0.0000 34380.3929 -149439.6378 300.2525 -183820.0307 -149337.4182 298.9641 -263.0349 -231.0185 557300.3053 9.3300 9.4707 PRESSURE: 302000 -151.899 -146.941 13.722 -146.941 -390.291 -44.6013 13.7226 -44.5986 102.406 GPRESSURE: 302000 -68.1961 -83.4277 -39.2397 -140.622 -328.201 6.9798 37.5505 -20.9861 52.0457 PRESSAVG: 302000 6.44222 -65.6469 -19.4272 -65.6469 -25.239 -12.5844 -19.4271 -12.5843 12.9148 GPRESSAVG: 302000 6.60833 -64.9398 -18.6776 -66.6029 -25.7892 -14.2888 -21.5387 -12.8872 13.5227 TIMING: 302000 CPU: 901.77, 0.00301062/step Wall: 901.77, 0.00301062/step, 3.92886 hours remaining, 206.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 302000 741.7423 2075.5102 1929.2170 105.9315 -206073.8778 17666.5943 0.0000 0.0000 34129.1449 -149425.7376 298.0583 -183554.8825 -149323.5629 298.8717 -146.5950 -114.7838 558866.0814 -1.9607 -1.8861 PRESSURE: 302200 -92.4417 -60.7963 -20.1605 -60.7942 -87.6059 -95.5677 -20.1618 -95.5681 68.5319 GPRESSURE: 302200 -61.1505 -96.8756 -49.2944 -74.3862 -25.8334 -151.995 -74.8333 -19.6507 84.7346 PRESSAVG: 302200 -21.8297 -50.0244 -46.8555 -50.0245 -28.5007 49.5122 -46.8556 49.5122 87.643 GPRESSAVG: 302200 -21.4394 -51.2339 -47.0749 -47.7611 -28.171 48.8219 -47.228 49.2013 86.9487 TIMING: 302200 CPU: 902.37, 0.00300237/step Wall: 902.37, 0.00300237/step, 3.91792 hours remaining, 206.472656 MB of memory in use. ENERGY: 302200 699.6656 2036.2744 1946.5685 124.9794 -206376.5028 17790.2763 0.0000 0.0000 34346.1146 -149432.6240 299.9532 -183778.7386 -149332.0122 298.8364 -37.1719 -0.7498 559116.1012 12.4375 12.4461 PRESSURE: 302400 122.199 188.007 12.222 188.007 -32.0649 -103.689 12.2218 -103.688 148.584 GPRESSURE: 302400 230.133 254.136 82.5375 222.151 -15.7011 -49.7266 -9.46824 -122.027 120.928 PRESSAVG: 302400 56.7105 -4.82029 -2.48724 -4.82017 28.395 12.9508 -2.48716 12.9507 -55.0654 GPRESSAVG: 302400 56.3892 -3.92447 -1.79668 -5.1047 27.6721 14.4382 -1.14824 11.1568 -54.1659 TIMING: 302400 CPU: 902.966, 0.00298019/step Wall: 902.966, 0.00298019/step, 3.88881 hours remaining, 206.472656 MB of memory in use. ENERGY: 302400 726.0129 2045.7219 1933.0510 108.4863 -206330.1093 17720.9590 0.0000 0.0000 34261.8106 -149534.0677 299.2169 -183795.8782 -149431.9820 298.5150 79.5726 111.7867 556428.8601 10.0133 9.9651 PRESSURE: 302600 -93.1149 45.3937 -156.805 45.3952 -64.3354 -24.026 -156.805 -24.0271 -322.189 GPRESSURE: 302600 -36.5616 30.1463 -173.23 28.0731 -5.72765 -84.1467 -130.993 61.8569 -337.466 PRESSAVG: 302600 4.63374 -15.3595 13.9614 -15.3596 -15.2801 -49.3135 13.9615 -49.3136 -33.3057 GPRESSAVG: 302600 5.22044 -18.1203 12.5672 -15.7496 -15.9439 -50.8282 16.0667 -46.7328 -33.818 TIMING: 302600 CPU: 903.559, 0.0029662/step Wall: 903.559, 0.0029662/step, 3.87039 hours remaining, 206.472656 MB of memory in use. ENERGY: 302600 725.3231 2036.2322 1945.5195 103.4701 -205751.5190 17313.9521 0.0000 0.0000 34197.1523 -149429.8697 298.6522 -183627.0219 -149328.6685 298.5657 -159.8797 -126.5850 556892.8651 -14.6507 -14.8472 PRESSURE: 302800 -204.231 34.5803 -163.86 34.5802 -271.067 47.7881 -163.859 47.788 -305.126 GPRESSURE: 302800 -177.394 -10.4532 -176.121 68.9821 -216.564 -68.8909 -111.182 61.2367 -274.209 PRESSAVG: 302800 -44.0306 8.33888 2.65006 8.33895 14.944 33.7035 2.64999 33.7035 3.40968 GPRESSAVG: 302800 -45.4527 11.7108 2.83589 7.75074 16.2743 33.7018 2.94528 34.1365 3.6596 TIMING: 302800 CPU: 904.152, 0.00296196/step Wall: 904.152, 0.00296196/step, 3.8647 hours remaining, 206.472656 MB of memory in use. ENERGY: 302800 733.0171 2054.0618 1944.9352 115.0105 -205840.1494 17502.9629 0.0000 0.0000 34270.1602 -149220.0016 299.2898 -183490.1619 -149123.2937 299.4932 -260.1414 -222.7224 558661.8327 -8.5590 -8.5063 PRESSURE: 303000 38.75 -55.5838 -84.2897 -55.5836 313.543 -73.8936 -84.2906 -73.8929 187.326 GPRESSURE: 303000 117.437 -9.68398 -95.798 -119.19 292.758 -25.5879 -22.6822 -115.217 219.321 PRESSAVG: 303000 -25.9695 48.6384 38.5907 48.6384 -2.73472 -34.6589 38.5906 -34.6589 32.5581 GPRESSAVG: 303000 -24.6746 47.8839 39.2462 48.6154 -4.61533 -34.0821 37.8866 -34.776 32.9827 TIMING: 303000 CPU: 904.752, 0.0029983/step Wall: 904.752, 0.0029983/step, 3.91195 hours remaining, 206.675781 MB of memory in use. ENERGY: 303000 693.1971 2056.3680 1930.0117 100.3635 -205870.0581 17984.8876 0.0000 0.0000 34023.2928 -149081.9374 297.1339 -183105.2302 -148984.4011 299.4283 179.8731 209.8384 557983.1576 1.2846 1.2309 PRESSURE: 303200 -174.849 40.4314 27.6435 40.4311 8.38296 -165.974 27.6437 -165.972 175.887 GPRESSURE: 303200 -142.178 107.302 10.6255 86.16 67.8695 -73.0502 65.9793 -152.408 168.435 PRESSAVG: 303200 -33.2319 17.6946 -7.87925 17.6947 9.95207 -70.1706 -7.87926 -70.1706 46.353 GPRESSAVG: 303200 -32.6299 14.5079 -6.98389 19.8917 10.7531 -69.6021 -7.52724 -70.0248 45.0405 TIMING: 303200 CPU: 905.349, 0.00298936/step Wall: 905.349, 0.00298936/step, 3.90012 hours remaining, 206.675781 MB of memory in use. ENERGY: 303200 725.8901 2070.1891 1900.2418 105.0223 -206322.7123 17991.2276 0.0000 0.0000 34307.1752 -149222.9663 299.6131 -183530.1414 -149120.8949 298.4476 3.1402 31.3754 558304.4219 7.6910 7.7212 PRESSURE: 303400 -84.3808 -95.5337 -21.8255 -95.5326 -177.562 123.768 -21.8242 123.767 -285.295 GPRESSURE: 303400 -53.6327 -18.3842 -128.834 -216.654 -115.697 58.2448 -67.1477 119.016 -274.946 PRESSAVG: 303400 -44.7666 3.60616 12.2246 3.6062 12.3182 -13.2653 12.2247 -13.2655 38.7044 GPRESSAVG: 303400 -47.068 5.06177 10.8344 0.976395 12.4566 -13.8235 12.5335 -13.7142 40.3497 TIMING: 303400 CPU: 905.946, 0.0029818/step Wall: 905.946, 0.0029818/step, 3.89008 hours remaining, 206.675781 MB of memory in use. ENERGY: 303400 753.2373 2043.6082 1940.1236 104.6110 -205946.4522 17715.6459 0.0000 0.0000 34256.0019 -149133.2243 299.1662 -183389.2261 -149044.5127 299.0689 -182.4127 -148.0920 559165.3575 2.0853 1.9128 PRESSURE: 303600 -193.32 68.0017 29.2042 68.0009 -135.546 25.0242 29.2039 25.023 8.50465 GPRESSURE: 303600 -172.95 -24.3291 122.843 145.928 -130.251 56.4123 -50.0887 -30.4961 82.4267 PRESSAVG: 303600 18.8779 8.67394 17.1766 8.6739 -13.777 -22.0595 17.1767 -22.0595 -5.71215 GPRESSAVG: 303600 21.3015 7.82566 18.606 9.98096 -14.6384 -21.9035 16.4071 -21.2098 -7.5901 TIMING: 303600 CPU: 906.536, 0.00295189/step Wall: 906.536, 0.00295189/step, 3.85091 hours remaining, 206.675781 MB of memory in use. ENERGY: 303600 721.3363 2105.9944 1931.0879 110.3086 -206049.4299 17624.2693 0.0000 0.0000 34364.7143 -149191.7191 300.1156 -183556.4334 -149089.8474 298.8409 -106.7869 -73.5914 558546.3963 -0.2038 -0.3090 PRESSURE: 303800 131.238 -134.839 5.82423 -134.838 -99.3639 164.714 5.82507 164.713 -37.595 GPRESSURE: 303800 136.993 -203.948 -28.6045 -107.699 -65.8243 213.423 41.7247 207.645 16.4676 PRESSAVG: 303800 15.0852 -31.3421 19.8932 -31.3421 -79.0608 73.2923 19.8933 73.2923 19.5387 GPRESSAVG: 303800 12.6614 -29.1329 20.9718 -32.8216 -77.7779 72.2182 21.2641 73.3023 20.5499 TIMING: 303800 CPU: 907.124, 0.00294013/step Wall: 907.124, 0.00294013/step, 3.8354 hours remaining, 206.675781 MB of memory in use. ENERGY: 303800 710.3033 2060.3616 1962.6963 104.8624 -206339.5305 17963.4393 0.0000 0.0000 34166.1792 -149371.6883 298.3817 -183537.8675 -149273.1462 299.0066 -1.9068 29.2121 559138.4946 -14.8123 -14.8555 PRESSURE: 304000 32.0909 -12.6044 -80.3124 -12.6039 -70.512 131.058 -80.3122 131.057 -136.658 GPRESSURE: 304000 10.2449 22.0892 -36.6617 16.8118 -36.3207 31.1706 8.01604 170.195 -43.2841 PRESSAVG: 304000 39.9607 11.0469 -66.0505 11.0469 -34.4073 68.038 -66.0504 68.038 10.1489 GPRESSAVG: 304000 41.8145 10.6734 -67.4215 11.2096 -36.2054 70.6979 -66.1177 66.1277 9.73382 TIMING: 304000 CPU: 907.716, 0.00295954/step Wall: 907.716, 0.00295954/step, 3.86055 hours remaining, 206.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 304000 726.3144 2111.1403 1950.2333 117.5510 -206180.6949 17578.8996 0.0000 0.0000 34366.3648 -149330.1915 300.1300 -183696.5563 -149228.4163 299.2699 -58.3597 -23.1200 557453.1951 5.2341 5.1143 PRESSURE: 304200 60.6231 -2.68037 -36.4887 -2.68075 303.187 -164.46 -36.4894 -164.46 -109.835 GPRESSURE: 304200 99.3687 60.4585 -48.0921 -41.3565 309.361 -190.179 -98.4139 -178.728 -60.2387 PRESSAVG: 304200 15.7425 17.2459 21.782 17.246 -33.8531 1.27292 21.7821 1.27291 78.7806 GPRESSAVG: 304200 14.6852 17.0386 23.4284 17.5693 -33.4213 0.09442 19.6362 1.23129 79.178 TIMING: 304200 CPU: 908.313, 0.00298274/step Wall: 908.313, 0.00298274/step, 3.89065 hours remaining, 206.675781 MB of memory in use. ENERGY: 304200 721.9736 2083.5875 1961.6764 117.5248 -206077.8867 17755.2331 0.0000 0.0000 34070.3019 -149367.5893 297.5444 -183437.8912 -149265.2955 298.8550 84.6581 116.1637 558176.2442 20.2233 20.1473 LDB: ============= START OF LOAD BALANCING ============== 911.864 LDB: ============== END OF LOAD BALANCING =============== 911.864 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 911.866 LDB: ============= START OF LOAD BALANCING ============== 912.165 LDB: Largest compute 4795 load 0.027453 is 23.3% of average load 0.117936 LDB: Average compute 0.001734 is 1.5% of average load 0.117936 LDB: TIME 912.167 LOAD: AVG 0.117936 MAX 0.208524 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.984 MB LDB: TIME 912.168 LOAD: AVG 0.117936 MAX 0.208524 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.984 MB LDB: TIME 912.168 LOAD: AVG 0.117936 MAX 0.208524 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.984 MB LDB: ============== END OF LOAD BALANCING =============== 912.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 912.174 PRESSURE: 304400 -202.399 -18.3961 -210.504 -18.3957 -38.7276 -10.7332 -210.504 -10.7329 27.1157 GPRESSURE: 304400 -114.581 35.5803 -240.431 6.95165 -100.534 45.1977 -160.824 0.814161 95.8248 PRESSAVG: 304400 73.282 71.0165 -7.6143 71.0165 -68.7312 -19.0847 -7.61443 -19.0848 -23.9205 GPRESSAVG: 304400 73.1703 70.5579 -10.5549 72.9011 -68.9523 -20.1352 -7.18864 -18.8411 -23.4067 TIMING: 304400 CPU: 908.924, 0.00305674/step Wall: 908.924, 0.00305674/step, 3.987 hours remaining, 206.472656 MB of memory in use. ENERGY: 304400 716.1116 2076.2185 1962.0936 112.3527 -206074.2617 17630.2776 0.0000 0.0000 34105.7128 -149471.4949 297.8537 -183577.2077 -149368.7185 298.2976 -71.3369 -39.7636 559052.6655 -6.4566 -6.3962 PRESSURE: 304600 -155.014 -33.7392 100.979 -33.7396 10.6739 -152.221 100.978 -152.222 -140.126 GPRESSURE: 304600 -87.4529 -7.94508 136.809 -4.04535 14.8121 -135.661 95.072 -167.434 -116.662 PRESSAVG: 304600 44.6589 -10.248 14.0735 -10.2481 22.317 -18.3648 14.0735 -18.3648 -42.0912 GPRESSAVG: 304600 45.2134 -8.25236 15.8641 -12.945 23.3548 -17.0903 14.9701 -17.7081 -43.5727 TIMING: 304600 CPU: 909.52, 0.00298242/step Wall: 909.52, 0.00298242/step, 3.8899 hours remaining, 206.472656 MB of memory in use. ENERGY: 304600 781.8706 2086.1783 1941.2365 118.6512 -206260.8806 17878.6541 0.0000 0.0000 34090.9935 -149363.2965 297.7251 -183454.2900 -149273.4031 298.4571 -94.8221 -63.1009 557533.5229 8.2949 8.3319 PRESSURE: 304800 -259.414 44.2596 26.1802 44.2592 -281.282 -87.9942 26.1798 -87.9941 -129.318 GPRESSURE: 304800 -273.332 88.3859 47.4799 -13.7783 -147.884 -93.7813 -35.2684 6.66584 -143.295 PRESSAVG: 304800 49.8037 28.2311 13.7528 28.2311 11.1713 -16.6611 13.7527 -16.6612 -52.8658 GPRESSAVG: 304800 49.5067 27.0151 13.6322 30.4884 11.5979 -19.3415 12.9901 -16.2671 -53.0965 TIMING: 304800 CPU: 910.123, 0.00301134/step Wall: 910.123, 0.00301134/step, 3.92745 hours remaining, 206.472656 MB of memory in use. ENERGY: 304800 731.9138 2091.9272 1923.8456 99.7616 -205960.8734 17542.3199 0.0000 0.0000 34202.9478 -149368.1575 298.7028 -183571.1052 -149267.5334 298.5273 -223.3382 -188.1705 557619.5125 2.7031 2.6694 PRESSURE: 305000 76.2189 81.1347 77.7532 81.1364 -130.568 56.0688 77.7533 56.0684 -85.3418 GPRESSURE: 305000 123.919 214.618 67.5642 85.6522 -136.761 133.154 64.0435 -36.5132 -32.3327 PRESSAVG: 305000 -46.234 19.9765 -23.9996 19.9766 -12.0139 -20.1141 -23.9996 -20.1142 42.8864 GPRESSAVG: 305000 -46.7727 19.3548 -23.5812 18.6668 -12.3587 -18.1998 -23.8888 -22.5003 44.3179 TIMING: 305000 CPU: 910.719, 0.00297924/step Wall: 910.719, 0.00297924/step, 3.88542 hours remaining, 206.472656 MB of memory in use. ENERGY: 305000 760.0276 2088.9369 1940.2379 122.3623 -206185.6406 17748.3717 0.0000 0.0000 34318.6750 -149207.0291 299.7135 -183525.7042 -149107.9068 298.6204 -46.5638 -15.0582 557560.1264 -5.1205 -4.9378 PRESSURE: 305200 -187.845 38.0364 -17.7564 38.0371 -119.978 -0.245616 -17.7562 -0.244689 20.7554 GPRESSURE: 305200 -194.813 72.7011 83.1067 -64.9155 -26.3986 56.1558 -97.9988 -69.9351 27.5235 PRESSAVG: 305200 -60.1278 16.3886 -21.7808 16.3886 58.0285 12.0603 -21.781 12.0603 1.59852 GPRESSAVG: 305200 -60.7206 16.371 -21.2168 17.0804 56.7693 11.8306 -21.7261 13.742 2.67868 TIMING: 305200 CPU: 911.316, 0.0029861/step Wall: 911.316, 0.0029861/step, 3.89421 hours remaining, 206.472656 MB of memory in use. ENERGY: 305200 765.1676 2079.7154 1965.5509 111.4683 -205876.3313 17586.2777 0.0000 0.0000 34152.1506 -149216.0008 298.2592 -183368.1514 -149129.1626 298.9214 -95.6891 -64.5626 557497.0048 -0.1669 -0.4242 PRESSURE: 305400 -343.316 77.3468 184.249 77.3473 6.58181 55.2388 184.247 55.2382 124.125 GPRESSURE: 305400 -359.565 57.2524 209.468 120.241 94.5399 39.9804 235.471 80.3204 152.7 PRESSAVG: 305400 -33.143 5.81574 17.7064 5.81579 37.261 -49.1841 17.7064 -49.1841 10.8761 GPRESSAVG: 305400 -32.9716 4.57895 17.9562 6.77978 38.6678 -47.9196 17.2083 -49.5959 9.5154 TIMING: 305400 CPU: 911.908, 0.0029608/step Wall: 911.908, 0.0029608/step, 3.86104 hours remaining, 206.472656 MB of memory in use. ENERGY: 305400 750.2266 2081.7032 1941.7427 107.8917 -206156.5388 17644.2892 0.0000 0.0000 34370.3736 -149260.3119 300.1650 -183630.6855 -149160.0096 299.2998 -70.8697 -37.4416 556442.4452 4.9980 5.0705 PRESSURE: 305600 -12.6232 -59.9961 33.1097 -59.9958 37.6822 -29.3156 33.1087 -29.3157 8.74255 GPRESSURE: 305600 27.1696 -138.676 -34.8604 -73.5119 52.5538 -39.5614 69.8256 31.1353 40.8125 PRESSAVG: 305600 -71.9363 -29.9657 67.3726 -29.9656 58.1921 -3.63627 67.3726 -3.63621 15.1756 GPRESSAVG: 305600 -70.5912 -28.1139 67.5745 -30.3608 57.5745 -4.40139 66.8468 -4.16802 14.2601 TIMING: 305600 CPU: 912.503, 0.00297468/step Wall: 912.503, 0.00297468/step, 3.87898 hours remaining, 206.472656 MB of memory in use. ENERGY: 305600 749.9895 2108.8502 1932.1651 123.1961 -206151.2464 17758.6843 0.0000 0.0000 34416.4842 -149061.8770 300.5677 -183478.3611 -148965.7376 299.4508 11.2672 40.1786 557059.6423 0.4771 0.4145 PRESSURE: 305800 311.891 41.2767 7.93763 41.2776 -184.77 -145.944 7.93756 -145.944 -104.341 GPRESSURE: 305800 337.348 2.74202 -13.5125 15.3221 -154.684 -137.979 -38.8983 -211.753 -52.0457 PRESSAVG: 305800 -27.5293 -29.3522 46.3208 -29.3521 24.6929 7.53029 46.3207 7.53041 -23.7006 GPRESSAVG: 305800 -27.8284 -29.4928 44.1693 -31.0893 23.4555 7.06418 48.3075 10.0059 -22.5425 TIMING: 305800 CPU: 913.103, 0.00299962/step Wall: 913.103, 0.00299962/step, 3.91133 hours remaining, 206.472656 MB of memory in use. ENERGY: 305800 805.3633 2013.7847 1921.0652 118.6044 -206507.8649 18019.0393 0.0000 0.0000 34277.7589 -149352.2492 299.3562 -183630.0081 -149259.8296 299.5501 7.5934 43.5394 556539.5812 -8.8456 -8.9718 PRESSURE: 306000 -141.118 -122.403 69.2919 -122.403 -269.512 98.0381 69.2927 98.039 116.666 GPRESSURE: 306000 -65.8705 -179.284 -2.83827 -40.3922 -229.654 3.27325 112.875 101.885 85.6979 PRESSAVG: 306000 26.0022 38.3425 10.3003 38.3425 -59.5092 19.7801 10.3002 19.7801 2.56414 GPRESSAVG: 306000 25.3394 37.272 9.59384 38.5356 -60.0217 19.7792 10.3802 19.4775 3.17051 TIMING: 306000 CPU: 913.694, 0.00295525/step Wall: 913.694, 0.00295525/step, 3.85332 hours remaining, 206.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 306000 763.6760 2147.0454 1925.9853 95.9840 -206211.9316 17706.4219 0.0000 0.0000 34321.5576 -149251.2615 299.7387 -183572.8191 -149151.8304 299.2597 -97.9880 -69.9422 557040.8654 -10.3143 -10.5039 PRESSURE: 306200 -108.434 -53.9063 126.362 -53.9069 -351.358 7.6235 126.361 7.62204 -317.331 GPRESSURE: 306200 -52.9168 -49.3929 45.0103 -129.298 -330.168 60.9943 152.315 -38.644 -292.439 PRESSAVG: 306200 19.6593 9.89443 -61.0337 9.89452 -10.4744 -2.66487 -61.0336 -2.66504 -13.0705 GPRESSAVG: 306200 20.0011 9.74709 -60.3982 8.69892 -9.65732 -1.37745 -60.7803 -5.57696 -14.4523 TIMING: 306200 CPU: 914.285, 0.0029562/step Wall: 914.285, 0.0029562/step, 3.85439 hours remaining, 206.472656 MB of memory in use. ENERGY: 306200 760.8303 2112.2120 1918.1267 108.1586 -206024.9169 17467.6620 0.0000 0.0000 34210.1615 -149447.7658 298.7658 -183657.9272 -149353.1756 299.1513 -259.0410 -225.1747 557089.1477 -1.2952 -1.3695 PRESSURE: 306400 -229.121 -106.05 147.603 -106.051 -31.6445 8.98658 147.602 8.9866 104.175 GPRESSURE: 306400 -128.868 -105.647 119.8 -113.574 -58.0948 -11.3972 138.551 -22.7661 113.021 PRESSAVG: 306400 79.771 15.8156 -42.602 15.8156 -57.5232 59.3465 -42.602 59.3466 -32.2281 GPRESSAVG: 306400 80.0557 16.1379 -41.2425 17.1656 -58.9477 58.4036 -43.3804 60.3178 -31.8011 TIMING: 306400 CPU: 914.879, 0.00297106/step Wall: 914.879, 0.00297106/step, 3.8736 hours remaining, 206.472656 MB of memory in use. ENERGY: 306400 786.5311 2088.0510 1913.9691 123.5229 -206264.9866 17853.9451 0.0000 0.0000 34017.8121 -149481.1553 297.0860 -183498.9674 -149382.2040 297.8795 -52.1968 -24.6473 557541.2898 -3.3268 -3.5644 PRESSURE: 306600 15.9096 20.3251 214.575 20.3244 154.704 -175.892 214.574 -175.891 -29.2088 GPRESSURE: 306600 44.8391 6.13242 155.842 13.882 154.729 -191.691 236.325 -27.1157 41.1588 PRESSAVG: 306600 37.338 17.0142 -23.9876 17.0143 6.49745 -21.3029 -23.9875 -21.3029 -24.098 GPRESSAVG: 306600 37.1012 17.362 -23.771 17.585 8.30064 -20.7085 -23.294 -20.4706 -25.5096 TIMING: 306600 CPU: 915.474, 0.00297327/step Wall: 915.474, 0.00297327/step, 3.87631 hours remaining, 206.472656 MB of memory in use. ENERGY: 306600 745.0773 2089.2224 1906.0218 108.9597 -206489.8098 17901.4307 0.0000 0.0000 34186.7689 -149552.3289 298.5616 -183739.0978 -149450.9487 298.4900 47.1348 80.2424 557229.9671 6.5791 6.6307 PRESSURE: 306800 -39.0301 -52.4555 35.9083 -52.4569 -263.541 10.175 35.9074 10.1732 -359.37 GPRESSURE: 306800 -60.0017 48.6179 71.3811 -77.4806 -204.567 -64.8958 14.7136 -13.531 -300.54 PRESSAVG: 306800 39.0582 60.0783 0.217885 60.0784 12.377 22.4996 0.217886 22.4996 -34.0434 GPRESSAVG: 306800 40.1151 60.4947 0.942967 59.8783 11.3832 23.0827 -2.83228 20.8738 -33.2761 TIMING: 306800 CPU: 916.067, 0.00296564/step Wall: 916.067, 0.00296564/step, 3.86621 hours remaining, 206.472656 MB of memory in use. ENERGY: 306800 775.4787 2090.9054 1922.8102 107.2076 -206528.2408 17790.1339 0.0000 0.0000 34152.1892 -149689.5157 298.2596 -183841.7049 -149591.5608 298.0680 -220.6469 -188.3695 558277.0822 5.7973 6.0740 PRESSURE: 307000 -61.0755 -53.5322 -38.8087 -53.5323 -152.199 -87.452 -38.8089 -87.454 54.8213 GPRESSURE: 307000 -50.4894 -5.4194 -31.7886 -56.7733 -111.043 -84.3062 -97.0615 -39.6541 93.4973 PRESSAVG: 307000 15.6055 2.35534 27.0549 2.3553 52.943 -24.2773 27.0548 -24.2772 -58.8456 GPRESSAVG: 307000 15.0861 1.06718 27.0234 2.73035 53.3015 -24.941 28.0585 -23.7739 -58.5711 TIMING: 307000 CPU: 916.663, 0.0029779/step Wall: 916.663, 0.0029779/step, 3.88203 hours remaining, 206.472656 MB of memory in use. ENERGY: 307000 759.9521 2071.1363 1912.0292 101.8967 -206270.3154 17790.9421 0.0000 0.0000 33913.6759 -149720.6831 296.1766 -183634.3590 -149618.4568 296.9777 -52.8178 -22.6785 558108.8225 3.2343 3.2721 PRESSURE: 307200 -136.773 62.6363 78.8478 62.6353 7.19861 -251.237 78.8479 -251.237 30.7668 GPRESSURE: 307200 -169.928 -11.1771 72.234 112.692 107.128 -338.067 54.6319 -215.659 70.3627 PRESSAVG: 307200 -56.6233 17.2833 -5.63566 17.2833 46.6381 -35.9003 -5.63575 -35.9004 56.7641 GPRESSAVG: 307200 -56.8643 17.5413 -6.46401 17.3167 47.52 -36.2517 -3.22174 -35.4008 55.7422 TIMING: 307200 CPU: 917.253, 0.0029505/step Wall: 917.253, 0.0029505/step, 3.84614 hours remaining, 206.472656 MB of memory in use. ENERGY: 307200 731.0707 2089.9858 1936.7057 111.5582 -206325.9913 17705.1078 0.0000 0.0000 34054.5738 -149696.9893 297.4071 -183751.5631 -149603.3277 297.5255 -32.9360 2.5208 556154.0763 15.5929 15.4660 PRESSURE: 307400 117.743 -60.1005 71.7475 -60.0989 284.409 -220.54 71.747 -220.542 -6.45529 GPRESSURE: 307400 217.064 -57.9104 94.7414 -68.5517 262.706 -188.778 0.522872 -250.575 22.6802 PRESSAVG: 307400 -64.8873 41.4136 9.59836 41.4136 65.2387 -37.0268 9.59836 -37.0268 -38.9787 GPRESSAVG: 307400 -64.7387 41.6742 12.0449 41.069 64.1399 -35.3478 6.19386 -37.4501 -38.3801 TIMING: 307400 CPU: 917.839, 0.00293306/step Wall: 917.839, 0.00293306/step, 3.82324 hours remaining, 206.472656 MB of memory in use. ENERGY: 307400 747.8978 2066.6451 1948.7407 109.9077 -207139.9035 18293.8341 0.0000 0.0000 34232.8966 -149739.9815 298.9644 -183972.8780 -149638.2596 298.0227 131.8988 167.4837 556534.7344 -12.8758 -12.9930 PRESSURE: 307600 -95.4083 143.317 -29.4355 143.317 132.928 -123.442 -29.4363 -123.443 11.6412 GPRESSURE: 307600 -87.5881 211.728 77.8637 151.771 156.863 -107.976 -25.5401 -143.342 62.5686 PRESSAVG: 307600 19.4246 25.3348 18.5635 25.3348 -24.128 -27.8987 18.5635 -27.8986 -30.4591 GPRESSAVG: 307600 19.3191 25.9055 16.9015 25.8491 -24.1345 -29.4249 19.959 -26.8609 -29.9984 TIMING: 307600 CPU: 918.432, 0.0029607/step Wall: 918.432, 0.0029607/step, 3.85911 hours remaining, 206.472656 MB of memory in use. ENERGY: 307600 705.5077 2158.4281 1913.5289 102.8630 -206421.2603 17782.4914 0.0000 0.0000 34072.1191 -149686.3221 297.5603 -183758.4412 -149580.2811 297.9436 16.3871 43.9477 555376.8940 -11.7208 -11.6046 PRESSURE: 307800 -77.7506 -80.5772 9.23978 -80.5762 332.615 147.838 9.23886 147.838 -20.8147 GPRESSURE: 307800 -23.6576 -109.683 9.74815 -102.555 341.338 132.799 57.7863 148.115 17.378 PRESSAVG: 307800 -63.1163 -6.34919 6.46508 -6.34919 46.2789 -2.78841 6.4651 -2.78849 9.99554 GPRESSAVG: 307800 -62.0496 -6.99064 5.68568 -8.70336 45.938 -2.36493 8.33531 -4.96162 9.1929 TIMING: 307800 CPU: 919.027, 0.00297495/step Wall: 919.027, 0.00297495/step, 3.87752 hours remaining, 206.472656 MB of memory in use. ENERGY: 307800 717.8069 2143.2196 1942.1681 110.3274 -206512.7159 17845.6005 0.0000 0.0000 34216.9903 -149536.6031 298.8255 -183753.5934 -149439.8908 298.8961 78.0166 111.6861 554593.1437 -2.2806 -2.3062 PRESSURE: 308000 110.256 78.4571 32.3734 78.4562 314.697 -6.91976 32.3737 -6.92127 217.246 GPRESSURE: 308000 124.912 63.9972 18.8529 44.4274 318.355 -42.755 8.38812 53.3315 297.881 PRESSAVG: 308000 43.2742 15.8341 17.7291 15.834 -63.3545 26.6071 17.729 26.6071 46.7971 GPRESSAVG: 308000 41.43 15.3305 20.118 18.2042 -63.9087 25.7891 15.435 29.3553 48.7869 TIMING: 308000 CPU: 919.618, 0.00295912/step Wall: 919.618, 0.00295912/step, 3.85672 hours remaining, 206.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 308000 764.1565 2064.9139 1974.6171 120.0066 -207030.8758 18182.6427 0.0000 0.0000 34283.6703 -149640.8687 299.4078 -183924.5390 -149539.8023 298.2307 214.0666 247.0491 556123.0600 8.9056 8.7694 PRESSURE: 308200 369.386 -36.906 -55.641 -36.9051 207.384 175.549 -55.6423 175.549 282.539 GPRESSURE: 308200 377.584 -48.928 -60.3345 -57.5803 208.645 137.324 -84.2537 154.668 364.716 PRESSAVG: 308200 3.11476 -9.32851 -11.7972 -9.32844 20.4736 51.024 -11.7971 51.024 -11.4702 GPRESSAVG: 308200 3.54985 -8.73297 -13.2474 -9.21728 21.4363 52.1309 -10.0399 50.7842 -12.9077 TIMING: 308200 CPU: 920.214, 0.00297768/step Wall: 920.214, 0.00297768/step, 3.88075 hours remaining, 206.472656 MB of memory in use. ENERGY: 308200 744.1655 2132.0449 1926.1074 94.1978 -207092.5852 18385.1982 0.0000 0.0000 34225.1071 -149585.7642 298.8964 -183810.8713 -149489.5143 298.1334 286.4362 316.9812 557355.0597 4.0394 4.0262 LDB: ============= START OF LOAD BALANCING ============== 923.765 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 923.765 LDB: =============== DONE WITH MIGRATION ================ 923.767 LDB: ============= START OF LOAD BALANCING ============== 924.065 LDB: Largest compute 4795 load 0.028367 is 24.0% of average load 0.117955 LDB: Average compute 0.001738 is 1.5% of average load 0.117955 LDB: TIME 924.067 LOAD: AVG 0.117955 MAX 0.204143 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.266 MB LDB: TIME 924.067 LOAD: AVG 0.117955 MAX 0.204143 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.336 MB LDB: TIME 924.067 LOAD: AVG 0.117955 MAX 0.204143 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.336 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 924.069 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 924.073 PRESSURE: 308400 -41.0456 -82.4463 -3.22823 -82.4457 -165.809 -135.777 -3.22736 -135.778 -89.7993 GPRESSURE: 308400 4.38379 -51.313 24.5976 -75.1766 -125.772 -123.463 -3.90866 -62.7817 -86.4291 PRESSAVG: 308400 -30.142 -51.2194 4.42256 -51.2193 45.4591 9.67459 4.42255 9.6745 -31.2039 GPRESSAVG: 308400 -28.6924 -52.266 5.20923 -49.8388 44.8759 8.96828 2.03459 10.0501 -31.6866 TIMING: 308400 CPU: 920.823, 0.00304556/step Wall: 920.823, 0.00304556/step, 3.96904 hours remaining, 206.535156 MB of memory in use. ENERGY: 308400 720.7548 2070.7055 1959.9822 123.9992 -206357.1120 17679.8110 0.0000 0.0000 34224.4355 -149577.4239 298.8905 -183801.8594 -149481.4833 298.1195 -98.8846 -69.2725 556969.8888 -5.2956 -5.1677 PRESSURE: 308600 -55.6193 -30.054 49.8038 -30.0538 52.8093 -54.0813 49.8027 -54.0819 10.5943 GPRESSURE: 308600 -2.05103 5.10374 78.9521 -101.64 68.0975 -27.6912 -8.97916 -18.4888 35.4986 PRESSAVG: 308600 1.50394 -3.7117 -24.0366 -3.71165 -7.39801 -52.9374 -24.0367 -52.9375 7.29619 GPRESSAVG: 308600 0.869783 -2.53472 -23.651 -6.65478 -7.59806 -53.1382 -21.5102 -54.4336 8.54324 TIMING: 308600 CPU: 921.418, 0.00297381/step Wall: 921.418, 0.00297381/step, 3.87537 hours remaining, 206.535156 MB of memory in use. ENERGY: 308600 751.2165 2099.4700 1962.9431 119.5153 -206261.3550 17865.2678 0.0000 0.0000 33986.7243 -149476.2181 296.8145 -183462.9424 -149386.1555 298.2863 2.5948 33.8483 558065.3365 0.4674 0.6050 PRESSURE: 308800 87.8142 -67.1358 42.1135 -67.1347 -170.079 76.0938 42.1138 76.0939 -101.31 GPRESSURE: 308800 123.135 -38.7567 48.9358 -9.66932 -166.683 22.7966 102.75 66.8855 -51.3196 PRESSAVG: 308800 -46.1836 18.5141 -12.5888 18.5141 54.8286 -28.7244 -12.5888 -28.7242 0.66268 GPRESSAVG: 308800 -47.9681 16.2029 -14.1452 20.3189 56.0725 -27.2719 -11.1342 -28.6744 0.370586 TIMING: 308800 CPU: 922.014, 0.00297915/step Wall: 922.014, 0.00297915/step, 3.88217 hours remaining, 206.593750 MB of memory in use. ENERGY: 308800 725.2876 2064.0431 1947.1022 118.0964 -206329.0053 17815.9522 0.0000 0.0000 34147.8386 -149510.6852 298.2216 -183658.5238 -149423.0802 298.2099 -61.1916 -31.6227 558239.3570 3.1026 2.8250 PRESSURE: 309000 104.947 -42.3 2.85918 -42.2997 -38.6895 11.8603 2.85978 11.8603 -19.5215 GPRESSURE: 309000 144.857 -46.4483 -40.023 -105.284 -1.66595 -90.0239 -57.9889 64.2653 19.8412 PRESSAVG: 309000 -2.0894 7.97399 -61.5288 7.97404 12.4905 46.7062 -61.5288 46.7062 -42.1155 GPRESSAVG: 309000 -1.97992 9.26433 -62.3261 7.34174 12.7172 46.3703 -61.4344 47.1476 -42.1504 TIMING: 309000 CPU: 922.611, 0.00298834/step Wall: 922.611, 0.00298834/step, 3.89397 hours remaining, 206.593750 MB of memory in use. ENERGY: 309000 732.0620 2079.6986 1942.6875 111.8974 -206621.0443 17887.3042 0.0000 0.0000 34406.6667 -149460.7278 300.4820 -183867.3945 -149367.0689 298.3803 15.5786 54.3441 555425.9708 -10.5715 -10.4710 PRESSURE: 309200 21.8073 54.8478 -81.0094 54.8452 -333.109 38.8799 -81.0087 38.8809 -239.639 GPRESSURE: 309200 74.6372 28.3278 -89.3852 -28.3567 -316.641 76.5943 61.3937 7.83693 -207.031 PRESSAVG: 309200 45.888 -30.8127 -22.8414 -30.8127 5.22441 3.93167 -22.8414 3.93168 -65.487 GPRESSAVG: 309200 47.4562 -31.0299 -20.7276 -28.4434 3.20695 3.39927 -25.4067 4.09439 -65.2773 TIMING: 309200 CPU: 923.207, 0.00297931/step Wall: 923.207, 0.00297931/step, 3.88204 hours remaining, 206.593750 MB of memory in use. ENERGY: 309200 730.5392 2035.5248 1938.1708 118.8667 -205763.5256 17449.6229 0.0000 0.0000 33996.2942 -149494.5070 296.8981 -183490.8012 -149395.9542 298.8762 -183.6466 -149.6780 558188.1626 -4.7915 -4.8714 PRESSURE: 309400 -94.1186 57.5184 -6.40828 57.5189 -255.665 -41.5908 -6.40805 -41.5894 -292.08 GPRESSURE: 309400 -99.1586 91.5165 -24.1605 -27.1382 -173.44 -60.2377 -60.9619 32.5012 -267.443 PRESSAVG: 309400 61.9967 64.949 5.00108 64.949 -28.3415 -32.7012 5.001 -32.7011 16.6139 GPRESSAVG: 309400 60.4439 67.023 3.9818 62.1723 -25.5226 -31.6083 6.17616 -33.2209 15.6059 TIMING: 309400 CPU: 923.801, 0.00297166/step Wall: 923.801, 0.00297166/step, 3.87191 hours remaining, 206.593750 MB of memory in use. ENERGY: 309400 774.0898 2054.3877 1926.9205 108.4950 -206433.5337 17848.2077 0.0000 0.0000 34135.8692 -149585.5637 298.1170 -183721.4329 -149488.4408 298.5287 -213.9545 -180.0139 557850.7457 16.7564 16.8424 PRESSURE: 309600 153.501 52.3934 121.873 52.3926 -136.176 -139.779 121.872 -139.778 -32.2955 GPRESSURE: 309600 149.286 89.0131 129.738 81.2495 -88.4812 -176.789 123.685 -132.871 30.7784 PRESSAVG: 309600 93.7745 -32.8555 11.009 -32.8555 -49.8567 -48.9052 11.009 -48.9052 -23.0605 GPRESSAVG: 309600 94.4548 -33.6454 11.3071 -31.7397 -51.5669 -51.0677 10.999 -48.248 -22.4239 TIMING: 309600 CPU: 924.402, 0.00300125/step Wall: 924.402, 0.00300125/step, 3.91029 hours remaining, 206.593750 MB of memory in use. ENERGY: 309600 716.9532 2158.9573 1895.6027 94.3597 -206270.8574 17811.7349 0.0000 0.0000 34004.3825 -149588.8670 296.9687 -183593.2495 -149493.7021 299.1436 -4.9901 30.5278 556792.0057 6.9524 6.8213 PRESSURE: 309800 99.1688 -158.401 -13.032 -158.401 88.3743 16.048 -13.0317 16.0472 -150.42 GPRESSURE: 309800 175.126 -100.545 -10.7326 -78.5837 91.7084 27.2708 -50.7256 17.1212 -131.046 PRESSAVG: 309800 2.49018 -12.6809 -19.8991 -12.6808 33.1831 -3.02768 -19.8989 -3.02755 -34.2519 GPRESSAVG: 309800 3.13929 -13.2881 -18.4195 -12.6029 32.005 -1.87993 -21.859 -2.94432 -33.6644 TIMING: 309800 CPU: 924.995, 0.00296638/step Wall: 924.995, 0.00296638/step, 3.8647 hours remaining, 206.593750 MB of memory in use. ENERGY: 309800 731.3926 2066.8322 1924.9245 116.7733 -206249.7060 17763.0982 0.0000 0.0000 34103.7681 -149542.9170 297.8367 -183646.6851 -149443.9146 298.5646 12.3743 45.2628 555976.8724 0.4738 0.4933 PRESSURE: 310000 258.809 25.4935 -25.6905 25.4922 56.5635 -37.5091 -25.6916 -37.5101 5.75846 GPRESSURE: 310000 235.388 43.1833 -93.8973 -18.7185 131.284 -52.8252 -1.0032 21.3612 50.9788 PRESSAVG: 310000 17.2243 18.8837 -52.8385 18.8837 -29.9016 78.4934 -52.8385 78.4932 -18.2461 GPRESSAVG: 310000 17.2877 17.9974 -56.598 17.7331 -29.7385 77.4516 -49.7833 78.376 -18.9338 TIMING: 310000 CPU: 925.59, 0.00297386/step Wall: 925.59, 0.00297386/step, 3.87428 hours remaining, 206.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 310000 744.3193 2040.3369 1923.9778 108.3435 -206552.4563 17883.8909 0.0000 0.0000 34387.5431 -149464.0448 300.3150 -183851.5879 -149368.5851 298.9290 107.0438 139.2169 555829.9725 -10.3078 -10.4615 PRESSURE: 310200 -207.668 133.854 -12.8978 133.856 74.0597 29.3902 -12.8989 29.3898 -77.3551 GPRESSURE: 310200 -221.066 95.2283 -30.1734 99.0141 147.841 4.77456 -28.5074 22.6706 -44.1682 PRESSAVG: 310200 53.0757 17.3067 -28.7331 17.3065 0.292017 33.3879 -28.7332 33.3878 -31.7874 GPRESSAVG: 310200 52.7354 15.4508 -26.4349 19.6242 1.24993 34.7101 -29.4592 34.0937 -31.7985 TIMING: 310200 CPU: 926.185, 0.00297664/step Wall: 926.185, 0.00297664/step, 3.87774 hours remaining, 206.593750 MB of memory in use. ENERGY: 310200 718.2214 2070.1520 1917.6876 90.4994 -206286.6356 17633.1442 0.0000 0.0000 34204.7175 -149652.2136 298.7183 -183856.9311 -149556.9431 298.4621 -70.3210 -39.1309 556669.6063 7.1935 7.3956 PRESSURE: 310400 -40.7222 -44.0946 18.4719 -44.0942 -161.76 -51.5147 18.4729 -51.5129 -76.9093 GPRESSURE: 310400 4.96354 -14.8292 96.6953 -20.1766 -144.962 -53.9762 75.3238 -12.8295 -60.5948 PRESSAVG: 310400 0.0527087 -45.13 64.2794 -45.1301 68.3257 -14.3347 64.2795 -14.3347 -74.9199 GPRESSAVG: 310400 -1.2389 -41.018 62.6678 -48.801 69.6595 -13.7689 64.8514 -15.6355 -75.505 TIMING: 310400 CPU: 926.782, 0.00298625/step Wall: 926.782, 0.00298625/step, 3.89009 hours remaining, 206.593750 MB of memory in use. ENERGY: 310400 745.3935 2063.3023 1925.7657 99.4128 -206350.0361 17823.4344 0.0000 0.0000 33972.8415 -149719.8860 296.6933 -183692.7275 -149621.4160 297.9852 -93.1306 -66.8643 556749.2319 -2.1805 -2.3615 PRESSURE: 310600 355.407 57.7174 -27.1153 57.7162 222.384 -30.9213 -27.1152 -30.9214 83.7184 GPRESSURE: 310600 344.849 114.467 -70.5821 6.94775 266.805 49.8338 53.0605 -86.0217 146.049 PRESSAVG: 310600 -8.84023 -1.75283 45.1797 -1.75281 8.31472 34.9823 45.1797 34.9823 48.3432 GPRESSAVG: 310600 -8.30501 -2.209 46.6312 0.954772 7.8064 36.0871 44.8114 35.3064 48.6624 TIMING: 310600 CPU: 927.376, 0.00296641/step Wall: 927.376, 0.00296641/step, 3.86408 hours remaining, 206.593750 MB of memory in use. ENERGY: 310600 733.1177 2080.1129 1901.4986 108.0881 -206587.1210 18074.5739 0.0000 0.0000 34044.6840 -149645.0458 297.3207 -183689.7298 -149552.3462 298.2589 220.5029 252.5676 555519.9275 15.9392 16.0546 PRESSURE: 310800 76.991 43.8819 3.63037 43.8822 35.4078 -125.037 3.63016 -125.035 -30.8898 GPRESSURE: 310800 148.168 -24.4891 9.81091 70.5621 35.6835 -200.833 -60.5142 -136.645 -15.6865 PRESSAVG: 310800 68.4566 -16.4994 -22.644 -16.4994 -5.76279 -35.5592 -22.644 -35.5592 -40.5431 GPRESSAVG: 310800 69.2723 -17.3412 -21.7062 -16.6623 -7.19178 -36.7526 -23.0357 -34.4748 -40.5871 TIMING: 310800 CPU: 927.971, 0.00297624/step Wall: 927.971, 0.00297624/step, 3.87671 hours remaining, 206.593750 MB of memory in use. ENERGY: 310800 724.2083 2122.4736 1941.7284 108.4468 -206380.4157 17804.3261 0.0000 0.0000 34282.9059 -149396.3265 299.4011 -183679.2323 -149304.1360 298.2905 27.1697 56.0551 556088.2163 7.3836 7.1645 PRESSURE: 311000 95.6597 -20.3127 -74.8659 -20.313 -96.7846 -36.484 -74.8658 -36.4832 237.605 GPRESSURE: 311000 138.436 -44.2844 -115.325 -35.3525 -58.406 -14.8799 -18.1285 -4.2605 254.672 PRESSAVG: 311000 42.3479 14.7931 -17.0789 14.793 -11.0544 -6.05055 -17.0789 -6.05069 -27.7928 GPRESSAVG: 311000 42.5534 15.5729 -17.5333 12.344 -11.6015 -6.59663 -16.217 -6.57601 -28.1286 TIMING: 311000 CPU: 928.561, 0.00295111/step Wall: 928.561, 0.00295111/step, 3.84382 hours remaining, 206.593750 MB of memory in use. ENERGY: 311000 723.9172 2052.4499 1955.1739 114.3442 -206392.1016 17948.0164 0.0000 0.0000 34207.5679 -149390.6321 298.7432 -183598.2000 -149291.8421 299.1116 78.8267 111.5673 556508.7087 1.1669 0.9411 PRESSURE: 311200 -43.562 54.8653 34.7288 54.8649 318.241 0.143172 34.7279 0.144202 -247.279 GPRESSURE: 311200 16.6782 45.5599 64.6182 99.2723 297.037 -9.03796 26.4511 61.8505 -195.556 PRESSAVG: 311200 37.8855 28.2198 5.61895 28.2198 -39.2881 -3.3936 5.61902 -3.39351 7.98228 GPRESSAVG: 311200 37.0978 28.1744 6.79636 28.033 -39.1236 -4.68084 4.49381 -1.0954 8.34861 TIMING: 311200 CPU: 929.152, 0.0029522/step Wall: 929.152, 0.0029522/step, 3.84507 hours remaining, 206.593750 MB of memory in use. ENERGY: 311200 741.0684 2054.6830 1929.4280 108.1947 -206200.2275 17718.0956 0.0000 0.0000 34161.5620 -149487.1957 298.3414 -183648.7578 -149392.9633 298.7078 9.1334 39.3865 555747.1130 2.1932 2.1076 PRESSURE: 311400 174.339 11.1136 88.542 11.1143 -88.104 -55.2733 88.5411 -55.272 -201.205 GPRESSURE: 311400 177.671 -45.7742 37.3913 -1.51826 -19.8216 -40.7327 34.2913 -43.221 -177.151 PRESSAVG: 311400 16.3786 32.9577 -33.2995 32.9577 -23.2612 -9.98247 -33.2995 -9.98244 -2.80962 GPRESSAVG: 311400 16.2422 32.1641 -34.2989 34.7615 -23.3926 -7.51623 -33.1459 -10.8002 -2.44713 TIMING: 311400 CPU: 929.739, 0.00293708/step Wall: 929.739, 0.00293708/step, 3.82522 hours remaining, 206.593750 MB of memory in use. ENERGY: 311400 774.4637 2062.4789 1982.7554 115.0922 -206525.1970 17808.3163 0.0000 0.0000 34282.6812 -149499.4094 299.3992 -183782.0906 -149408.6976 298.0902 -38.3234 -6.4339 554990.3516 -3.2307 -3.1992 PRESSURE: 311600 -51.268 41.8242 99.779 41.8247 -253.256 81.625 99.7793 81.6256 11.0678 GPRESSURE: 311600 39.8405 123.302 172.497 58.2536 -210.46 139.058 -10.8704 91.413 -31.3725 PRESSAVG: 311600 56.2232 11.3529 -28.689 11.3529 10.1364 3.79003 -28.6891 3.79002 -24.3566 GPRESSAVG: 311600 57.2147 11.6973 -30.0096 10.2072 10.079 3.43005 -29.3126 1.00582 -24.964 TIMING: 311600 CPU: 930.327, 0.00293821/step Wall: 930.327, 0.00293821/step, 3.82652 hours remaining, 206.593750 MB of memory in use. ENERGY: 311600 729.4912 2061.7924 1937.0455 111.5177 -206302.5197 17644.4254 0.0000 0.0000 34275.5020 -149542.7455 299.3365 -183818.2475 -149445.9107 298.3321 -97.8186 -67.3308 556167.2742 14.0010 14.1099 PRESSURE: 311800 -114.733 42.3268 -14.6765 42.3256 -125.291 -233.918 -14.6762 -233.917 -245.89 GPRESSURE: 311800 -115.479 32.9203 -106.02 1.40293 -70.2254 -276.721 84.3916 -210.387 -218.748 PRESSAVG: 311800 30.0872 -6.67511 -45.5406 -6.6751 37.3839 -21.0709 -45.5407 -21.0708 -56.042 GPRESSAVG: 311800 29.3886 -7.65441 -45.5134 -6.15535 37.2631 -21.7469 -44.2619 -20.4232 -55.3585 TIMING: 311800 CPU: 930.921, 0.00297421/step Wall: 930.921, 0.00297421/step, 3.87325 hours remaining, 206.593750 MB of memory in use. ENERGY: 311800 727.5550 2183.1846 1951.8903 110.2824 -205982.3968 17524.5540 0.0000 0.0000 34022.2811 -149462.6494 297.1250 -183484.9305 -149366.4640 299.2222 -161.9714 -134.8174 557048.1191 3.8097 3.7644 PRESSURE: 312000 -36.1503 15.0258 1.06161 15.0255 92.2037 -26.481 1.06162 -26.4815 -41.6388 GPRESSURE: 312000 40.2067 24.1237 -79.1907 38.4797 121.302 -50.1685 52.3653 -17.9247 -43.8979 PRESSAVG: 312000 89.8105 0.498176 -16.3639 0.498187 -7.61761 -50.3692 -16.3638 -50.3693 -24.5882 GPRESSAVG: 312000 89.6502 0.6632 -15.0865 2.42715 -6.76431 -51.066 -15.9522 -48.7166 -24.5611 TIMING: 312000 CPU: 931.516, 0.00297396/step Wall: 931.516, 0.00297396/step, 3.87276 hours remaining, 206.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 312000 739.3630 2110.0937 1920.7536 111.6879 -206517.8195 17919.8743 0.0000 0.0000 34113.4048 -149602.6422 297.9208 -183716.0469 -149504.9091 298.1059 4.8049 39.2035 557536.3141 19.2016 19.4416 PRESSURE: 312200 -16.3606 -80.337 97.4983 -80.3357 -49.1157 20.3279 97.4984 20.328 -56.416 GPRESSURE: 312200 -20.1983 -60.1301 115.812 -88.6641 28.9421 79.7831 127.247 73.0039 -25.4397 PRESSAVG: 312200 90.5633 13.3359 -63.2901 13.336 32.3545 -49.7551 -63.2901 -49.7553 -109.501 GPRESSAVG: 312200 90.1544 13.2129 -63.9851 10.4805 33.0471 -48.1751 -62.8556 -49.763 -109.482 TIMING: 312200 CPU: 932.108, 0.0029571/step Wall: 932.108, 0.0029571/step, 3.85063 hours remaining, 206.593750 MB of memory in use. ENERGY: 312200 731.8451 2094.5522 1957.5845 118.4801 -206351.9335 17705.3413 0.0000 0.0000 34225.7824 -149518.3480 298.9023 -183744.1304 -149422.3408 298.4853 -40.6308 -5.5653 557779.2641 4.4723 4.5731 LDB: ============= START OF LOAD BALANCING ============== 935.655 LDB: ============== END OF LOAD BALANCING =============== 935.655 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 935.657 LDB: ============= START OF LOAD BALANCING ============== 935.954 LDB: Largest compute 4795 load 0.027678 is 23.4% of average load 0.118039 LDB: Average compute 0.001730 is 1.5% of average load 0.118039 LDB: TIME 935.956 LOAD: AVG 0.118039 MAX 0.207865 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.617 MB LDB: TIME 935.957 LOAD: AVG 0.118039 MAX 0.207865 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.82 MB LDB: TIME 935.957 LOAD: AVG 0.118039 MAX 0.207865 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.82 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 935.958 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 935.962 PRESSURE: 312400 147.68 59.703 170.613 59.7025 343.095 230.9 170.615 230.901 -60.9254 GPRESSURE: 312400 153.244 -11.7725 214.276 47.4461 352.794 196.355 213.834 244.747 12.2969 PRESSAVG: 312400 2.82682 21.0872 19.4468 21.0873 22.0798 -45.3664 19.4468 -45.3664 -21.598 GPRESSAVG: 312400 3.67626 20.7036 19.9634 22.8273 20.8416 -47.4532 16.8304 -45.4173 -21.2392 TIMING: 312400 CPU: 932.713, 0.00302597/step Wall: 932.713, 0.00302597/step, 3.94015 hours remaining, 208.285156 MB of memory in use. ENERGY: 312400 745.8245 2046.9087 1949.7791 124.5157 -206409.5069 17940.6382 0.0000 0.0000 34065.2378 -149536.6029 297.5002 -183601.8407 -149442.0686 298.9868 143.2830 172.7782 556644.8346 1.1029 1.0929 PRESSURE: 312600 230.288 -82.4768 26.8729 -82.476 -187.027 -98.3566 26.8737 -98.3563 -94.6293 GPRESSURE: 312600 283.7 -21.5853 87.1647 -191.366 -141.476 -0.961736 -21.5893 -151.136 -91.6635 PRESSAVG: 312600 35.3391 -3.28374 -37.5358 -3.28366 55.0306 20.6472 -37.5357 20.6472 -54.5865 GPRESSAVG: 312600 35.9111 -1.69698 -37.1026 -4.49925 55.7185 22.8939 -34.252 20.7097 -55.0429 TIMING: 312600 CPU: 933.312, 0.00299534/step Wall: 933.312, 0.00299534/step, 3.9001 hours remaining, 208.355469 MB of memory in use. ENERGY: 312600 778.7684 2076.7703 1958.5460 121.6916 -206604.7206 17981.5011 0.0000 0.0000 34166.7082 -149520.7349 298.3864 -183687.4431 -149419.7207 298.8570 -17.1228 16.8535 558190.2264 11.9277 12.1956 PRESSURE: 312800 329.469 15.4387 -71.2239 15.4379 -94.1104 139.64 -71.223 139.638 228.092 GPRESSURE: 312800 311.935 20.7859 -50.286 51.7879 -50.8505 172.417 -129.839 58.4831 297.789 PRESSAVG: 312800 31.9267 13.7125 -34.786 13.7125 -30.4467 -16.4849 -34.786 -16.4849 8.78141 GPRESSAVG: 312800 31.477 13.4301 -36.2544 13.8726 -30.4404 -18.4506 -34.1948 -15.4025 9.15896 TIMING: 312800 CPU: 933.908, 0.00298265/step Wall: 933.908, 0.00298265/step, 3.88341 hours remaining, 208.355469 MB of memory in use. ENERGY: 312800 731.1064 2125.8566 1987.7918 112.8676 -207070.8150 18311.5171 0.0000 0.0000 34344.5871 -149457.0885 299.9398 -183801.6755 -149360.1754 298.2288 154.4835 186.2914 556560.9583 3.4205 3.3985 PRESSURE: 313000 -6.45765 -4.75686 -169.51 -4.75607 -16.1764 -47.7029 -169.51 -47.7035 78.5695 GPRESSURE: 313000 8.27889 -28.9754 -241.229 -0.0665391 18.9249 -27.5342 -165.151 36.5103 131.082 PRESSAVG: 313000 -5.21621 14.184 9.45617 14.184 -54.892 3.83045 9.45624 3.8304 53.0622 GPRESSAVG: 313000 -4.33651 15.2549 9.01785 13.185 -54.692 5.24225 7.46634 0.44134 52.4046 TIMING: 313000 CPU: 934.506, 0.00298569/step Wall: 934.506, 0.00298569/step, 3.8872 hours remaining, 208.355469 MB of memory in use. ENERGY: 313000 711.9413 2099.6433 1953.1215 114.0905 -206396.5872 17816.7620 0.0000 0.0000 34164.3001 -149536.7286 298.3653 -183701.0286 -149433.9608 298.3431 18.6451 52.7621 557683.3711 -2.3486 -2.2080 PRESSURE: 313200 116.917 -54.0815 -41.1733 -54.0807 -62.3049 -66.9636 -41.1727 -66.9639 20.3692 GPRESSURE: 313200 180.063 -68.8094 -35.8572 -46.4279 -72.0003 -133.474 -48.4074 -3.6549 55.8679 PRESSAVG: 313200 39.3974 5.12801 -53.8968 5.12811 -16.1104 -5.08146 -53.8968 -5.08138 -12.5059 GPRESSAVG: 313200 38.9394 5.75166 -54.2858 5.46827 -15.6876 -5.28874 -53.0497 -3.16322 -12.4168 TIMING: 313200 CPU: 935.109, 0.00301702/step Wall: 935.109, 0.00301702/step, 3.92783 hours remaining, 208.355469 MB of memory in use. ENERGY: 313200 748.1915 2107.9444 1949.5589 112.9801 -206693.9829 18065.3374 0.0000 0.0000 34227.4157 -149482.5549 298.9165 -183709.9706 -149389.5265 297.3415 24.9938 54.6435 557867.8251 3.5937 3.6117 PRESSURE: 313400 308.896 -38.3702 151.377 -38.371 363.201 -59.3346 151.376 -59.3364 187.562 GPRESSURE: 313400 341.722 -15.9616 142.057 -20.2032 389.447 -16.108 173.213 -98.5283 229.252 PRESSAVG: 313400 -3.86713 25.5646 -6.439 25.5646 56.2646 -19.5061 -6.43894 -19.5059 21.1768 GPRESSAVG: 313400 -4.72252 21.046 -4.29939 27.8576 56.4175 -22.0474 -6.73694 -18.5758 21.7285 TIMING: 313400 CPU: 935.705, 0.0029812/step Wall: 935.705, 0.0029812/step, 3.88102 hours remaining, 208.355469 MB of memory in use. ENERGY: 313400 752.9131 2046.2836 1927.9668 124.2456 -206878.5409 18194.1654 0.0000 0.0000 34219.3906 -149613.5758 298.8464 -183832.9664 -149507.7939 298.6367 286.5529 320.1406 554446.2268 24.5248 24.4745 PRESSURE: 313600 -163.736 -162.215 -119.983 -162.215 210.675 -32.7306 -119.982 -32.7308 -178.765 GPRESSURE: 313600 -116.161 -168.561 -153.947 -150.684 219.706 -52.1314 -150.484 -0.620052 -134.436 PRESSAVG: 313600 -38.7758 28.8791 -5.63854 28.8791 33.4839 28.5536 -5.63847 28.5538 -37.9503 GPRESSAVG: 313600 -37.5393 33.6901 -6.82841 28.0247 31.4695 30.405 -6.95364 27.7677 -37.577 TIMING: 313600 CPU: 936.296, 0.0029563/step Wall: 936.296, 0.0029563/step, 3.84844 hours remaining, 208.355469 MB of memory in use. ENERGY: 313600 759.3884 2114.3426 1920.4134 111.4931 -206662.7907 17863.5240 0.0000 0.0000 34263.0144 -149630.6149 299.2274 -183893.6293 -149533.8108 297.8939 -43.9418 -10.2970 556150.2732 -14.4141 -14.5489 PRESSURE: 313800 61.3454 -68.6221 -5.50648 -68.6241 -243.011 -75.2014 -5.50642 -75.2014 112.529 GPRESSURE: 313800 119.494 -86.2485 10.2018 -73.8047 -250.428 -35.3168 -4.90142 -43.4457 161.208 PRESSAVG: 313800 -12.5988 61.8626 -17.7586 61.8627 17.618 30.7378 -17.7586 30.7379 -4.64108 GPRESSAVG: 313800 -13.5681 60.5229 -19.1368 61.5683 19.5279 29.9158 -15.3375 31.4299 -5.41712 TIMING: 313800 CPU: 936.89, 0.00296799/step Wall: 936.89, 0.00296799/step, 3.86349 hours remaining, 208.355469 MB of memory in use. ENERGY: 313800 740.6434 2074.0026 1949.4098 112.5299 -206548.9034 17892.0738 0.0000 0.0000 34198.6067 -149581.6372 298.6649 -183780.2439 -149479.6046 298.5942 -23.0454 10.0915 556227.1937 0.1260 0.1809 PRESSURE: 314000 85.268 -159.628 28.0344 -159.629 -39.2524 52.4659 28.0355 52.4656 -271.505 GPRESSURE: 314000 127.432 -140.012 70.8398 -90.3672 -24.425 47.2713 50.7501 60.85 -230.199 PRESSAVG: 314000 -43.0389 55.5614 -31.5335 55.5615 14.326 35.2999 -31.5335 35.2998 46.5026 GPRESSAVG: 314000 -43.5503 55.875 -30.1724 54.8544 14.7108 36.7903 -31.3274 34.6424 46.3844 TIMING: 314000 CPU: 937.482, 0.00295812/step Wall: 937.482, 0.00295812/step, 3.85049 hours remaining, 208.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 314000 768.6530 2102.0284 1913.1120 109.6861 -206178.8877 17669.1210 0.0000 0.0000 34192.4520 -149423.8351 298.6112 -183616.2871 -149318.9927 299.0119 -75.1632 -42.3970 557015.9456 5.9299 5.8483 PRESSURE: 314200 30.9122 20.1935 -11.1036 20.1938 -277.253 -30.183 -11.104 -30.1812 85.0536 GPRESSURE: 314200 66.9813 60.1169 -77.2688 -58.569 -226.436 -44.9776 -4.40331 -4.17842 94.2241 PRESSAVG: 314200 59.8677 42.0494 8.87934 42.0494 -43.4794 26.949 8.87935 26.9491 -1.66197 GPRESSAVG: 314200 60.5475 41.3395 9.10137 41.3772 -43.3912 25.7205 7.36851 26.0358 -2.59396 TIMING: 314200 CPU: 938.078, 0.00298312/step Wall: 938.078, 0.00298312/step, 3.88286 hours remaining, 208.355469 MB of memory in use. ENERGY: 314200 693.4736 2080.2032 1948.5437 110.1775 -205914.8139 17570.1142 0.0000 0.0000 34131.4364 -149380.8653 298.0783 -183512.3017 -149288.2131 299.1875 -53.7625 -21.7435 557343.0860 4.9088 4.8541 PRESSURE: 314400 -246.111 57.7029 -179.372 57.7031 -111.689 67.7647 -179.373 67.7634 162.456 GPRESSURE: 314400 -173.594 30.5066 -129.675 114.806 -100.685 64.225 -215.491 51.3108 177.975 PRESSAVG: 314400 -1.88363 -17.1954 -50.0097 -17.1954 -16.3599 -60.0397 -50.0097 -60.0396 42.9826 GPRESSAVG: 314400 -1.50437 -17.2119 -49.14 -14.4768 -16.6755 -57.2778 -50.7427 -60.8268 42.6414 TIMING: 314400 CPU: 938.67, 0.00295934/step Wall: 938.67, 0.00295934/step, 3.85175 hours remaining, 208.355469 MB of memory in use. ENERGY: 314400 755.7871 2070.3227 1921.2828 106.7661 -206445.5320 17800.7649 0.0000 0.0000 34325.9314 -149464.6771 299.7769 -183790.6085 -149364.9646 299.4797 -65.1147 -32.1012 556501.0383 8.2463 8.1538 PRESSURE: 314600 -293.86 164.206 5.11851 164.206 -252.472 66.7047 5.11777 66.7031 -182.625 GPRESSURE: 314600 -224.466 193.208 -33.7245 84.521 -250.439 56.8181 -1.66757 42.6819 -155.451 PRESSAVG: 314600 13.8583 49.0718 -23.2611 49.0718 -48.1292 29.3001 -23.2612 29.3001 42.6734 GPRESSAVG: 314600 13.7938 50.1305 -24.6516 45.6675 -48.2526 27.9251 -23.6468 31.0243 43.3674 TIMING: 314600 CPU: 939.266, 0.00297915/step Wall: 939.266, 0.00297915/step, 3.87737 hours remaining, 208.355469 MB of memory in use. ENERGY: 314600 758.4791 2030.0424 1945.6067 100.8170 -206124.0352 17603.3245 0.0000 0.0000 34283.9479 -149401.8175 299.4102 -183685.7655 -149304.8846 298.8669 -242.9859 -210.1184 556658.3193 2.8008 2.9695 PRESSURE: 314800 -118.253 83.3827 218.292 83.3827 126.077 -78.7005 218.293 -78.6999 -175.052 GPRESSURE: 314800 -66.7169 143.891 251.151 147.4 54.5124 -19.744 192.715 -99.5288 -47.1 PRESSAVG: 314800 -21.5871 6.80292 -25.4781 6.8029 53.1428 2.68477 -25.4781 2.68489 -18.4495 GPRESSAVG: 314800 -21.7258 5.26395 -25.2227 7.11934 53.1616 0.578142 -25.839 1.94993 -18.0203 TIMING: 314800 CPU: 939.861, 0.00297581/step Wall: 939.861, 0.00297581/step, 3.87285 hours remaining, 208.355469 MB of memory in use. ENERGY: 314800 779.2650 2101.5106 1915.6132 109.0404 -206333.0260 17731.4803 0.0000 0.0000 34094.3994 -149601.7171 297.7549 -183696.1164 -149510.2662 298.7953 -55.7427 -19.7682 556884.7562 4.3687 4.4718 PRESSURE: 315000 348.443 -34.3093 93.6596 -34.3086 56.8457 -75.8704 93.6598 -75.8711 -309.98 GPRESSURE: 315000 336.411 -76.4847 64.085 -43.7498 88.1795 -68.5362 108.204 -52.0296 -235.459 PRESSAVG: 315000 51.0716 52.9232 30.8948 52.9233 49.9957 19.7364 30.8948 19.7363 -38.6594 GPRESSAVG: 315000 51.2345 51.4441 31.4407 54.2233 50.1817 19.8809 29.8484 21.1048 -38.924 TIMING: 315000 CPU: 940.461, 0.00300082/step Wall: 940.461, 0.00300082/step, 3.90523 hours remaining, 208.355469 MB of memory in use. ENERGY: 315000 731.5573 2060.9232 1929.8324 108.0487 -206503.5779 17739.8734 0.0000 0.0000 34298.1780 -149635.1651 299.5345 -183933.3430 -149533.3995 298.5290 31.7695 63.0441 556208.0369 20.8026 20.8308 PRESSURE: 315200 37.1369 25.1068 296.599 25.1083 50.5669 -82.1014 296.599 -82.1011 -50.2108 GPRESSURE: 315200 64.6501 57.35 278.811 17.2463 153.477 -66.0381 307.172 -62.4474 -88.2613 PRESSAVG: 315200 32.2184 11.5461 60.4271 11.5461 -66.7964 -19.5937 60.4271 -19.5937 -13.7835 GPRESSAVG: 315200 30.8069 15.1295 57.953 12.4225 -66.2101 -19.5329 64.6242 -18.9701 -12.8677 TIMING: 315200 CPU: 941.057, 0.00297827/step Wall: 941.057, 0.00297827/step, 3.87572 hours remaining, 208.355469 MB of memory in use. ENERGY: 315200 761.8495 2058.2815 1937.8340 105.7270 -206355.8781 17784.8393 0.0000 0.0000 34042.2257 -149665.1211 297.2992 -183707.3468 -149574.7426 298.0102 12.4977 43.2887 556627.0177 -16.1205 -16.0903 PRESSURE: 315400 218.316 -144.803 79.8179 -144.803 -107.28 -40.3711 79.8184 -40.3697 -73.469 GPRESSURE: 315400 226.804 -73.9388 93.725 -217.983 -53.3156 -59.8419 118.48 -57.3754 -44.4163 PRESSAVG: 315400 21.4649 -59.5631 55.5944 -59.5631 9.89974 59.8962 55.5944 59.8962 30.7968 GPRESSAVG: 315400 21.6842 -60.1311 57.3731 -61.6674 10.0522 61.287 54.8682 59.3364 30.7128 TIMING: 315400 CPU: 941.649, 0.0029607/step Wall: 941.649, 0.0029607/step, 3.8527 hours remaining, 208.355469 MB of memory in use. ENERGY: 315400 745.7245 2123.2831 1936.7023 111.9337 -206587.9042 17841.6980 0.0000 0.0000 34028.2151 -149800.3475 297.1769 -183828.5626 -149697.2725 297.5670 12.5223 43.0241 556373.9348 20.7205 20.8164 PRESSURE: 315600 -60.0702 76.9257 10.9938 76.9257 211.683 2.01921 10.9943 2.02003 141.794 GPRESSURE: 315600 -47.2556 -10.3358 2.52032 10.5101 272.621 8.53635 41.2169 -4.61731 167.96 PRESSAVG: 315600 -13.5435 -2.37604 45.0222 -2.37606 -4.35487 54.072 45.0222 54.0719 -2.10717 GPRESSAVG: 315600 -12.4947 -3.78268 45.8794 -0.941689 -4.40691 53.8229 43.2257 54.1818 -3.00774 TIMING: 315600 CPU: 942.241, 0.00296017/step Wall: 942.241, 0.00296017/step, 3.85184 hours remaining, 208.355469 MB of memory in use. ENERGY: 315600 717.3146 2098.3359 1914.1610 122.6580 -206404.1442 17926.6835 0.0000 0.0000 33966.0057 -149658.9854 296.6336 -183624.9911 -149558.8193 297.2876 97.8021 131.1085 554634.4323 -6.6685 -6.6365 PRESSURE: 315800 64.6809 10.281 -97.1736 10.2796 113.354 41.0721 -97.1736 41.0712 91.4102 GPRESSURE: 315800 111.875 87.8166 -76.8702 88.889 164.191 5.49608 -145.767 72.0743 95.1643 PRESSAVG: 315800 -40.4201 14.3161 -1.08883 14.3162 36.2469 4.33367 -1.08892 4.33374 -28.237 GPRESSAVG: 315800 -41.1909 15.0782 0.0627742 13.6524 35.6406 3.95103 -1.11624 2.29782 -26.9366 TIMING: 315800 CPU: 942.834, 0.00296438/step Wall: 942.834, 0.00296438/step, 3.85715 hours remaining, 208.355469 MB of memory in use. ENERGY: 315800 730.1713 2070.5242 1951.9712 110.6885 -206508.6514 17795.8716 0.0000 0.0000 34312.9173 -149536.5073 299.6632 -183849.4246 -149444.6455 297.7977 89.8150 123.7435 555109.1666 -10.8034 -10.8289 PRESSURE: 316000 17.1454 103.856 84.4684 103.855 -310.515 69.03 84.4689 69.0295 -240.453 GPRESSURE: 316000 54.7738 102.19 88.6249 84.7323 -308.824 21.0493 132.702 71.4728 -185.493 PRESSAVG: 316000 64.6545 -34.7191 23.6007 -34.7191 -35.3323 17.2403 23.6007 17.2403 -35.6227 GPRESSAVG: 316000 65.4611 -34.9509 23.0829 -34.3741 -34.1782 18.6841 24.668 18.1455 -37.5693 TIMING: 316000 CPU: 943.426, 0.00295884/step Wall: 943.426, 0.00295884/step, 3.84978 hours remaining, 208.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 316000 743.9439 2086.7213 1928.4017 112.0066 -206081.3325 17615.7578 0.0000 0.0000 34086.4042 -149508.0971 297.6850 -183594.5013 -149411.3659 298.3964 -177.9411 -146.5146 558727.1066 -2.1002 -2.0954 PRESSURE: 316200 -24.7333 -138.088 97.6981 -138.089 -340.005 -73.5662 97.698 -73.5641 291.854 GPRESSURE: 316200 37.1545 -151.488 141.837 -84.0465 -276.755 -4.82802 36.3708 -43.0039 260.405 PRESSAVG: 316200 69.4535 29.5941 15.0981 29.5941 -41.847 17.7503 15.098 17.7503 15.2152 GPRESSAVG: 316200 69.7782 30.9694 14.968 30.0305 -42.1103 17.6204 15.85 17.4725 14.6728 TIMING: 316200 CPU: 944.017, 0.00295465/step Wall: 944.017, 0.00295465/step, 3.84417 hours remaining, 208.355469 MB of memory in use. ENERGY: 316200 707.0362 2055.9189 1942.1123 119.2236 -205999.4727 17661.5300 0.0000 0.0000 34072.8486 -149440.8031 297.5667 -183513.6516 -149345.4907 298.9508 -24.2948 6.9346 557832.6037 14.2739 14.1135 LDB: ============= START OF LOAD BALANCING ============== 947.563 LDB: ============== END OF LOAD BALANCING =============== 947.563 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 947.565 LDB: ============= START OF LOAD BALANCING ============== 947.863 LDB: Largest compute 4795 load 0.029119 is 24.7% of average load 0.118044 LDB: Average compute 0.001723 is 1.5% of average load 0.118044 LDB: TIME 947.865 LOAD: AVG 0.118044 MAX 0.207189 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.289 MB LDB: TIME 947.865 LOAD: AVG 0.118044 MAX 0.207189 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.352 MB LDB: TIME 947.865 LOAD: AVG 0.118044 MAX 0.207189 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 947.867 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 947.871 PRESSURE: 316400 -21.1733 -21.7168 7.06844 -21.7171 45.8258 -67.0412 7.06859 -67.0415 49.8805 GPRESSURE: 316400 12.232 -25.1044 27.3458 -8.172 59.0113 -113.079 7.64709 -58.961 98.9786 PRESSAVG: 316400 47.2406 -34.4039 -23.8296 -34.4039 8.62454 -34.9597 -23.8296 -34.9595 -27.3954 GPRESSAVG: 316400 46.2396 -36.9681 -23.1417 -34.3678 8.17128 -35.3225 -24.8171 -34.7061 -25.6006 TIMING: 316400 CPU: 944.622, 0.00302437/step Wall: 944.622, 0.00302437/step, 3.9347 hours remaining, 207.058594 MB of memory in use. ENERGY: 316400 727.4520 2045.7555 1929.4865 111.6578 -205988.5003 17718.5668 0.0000 0.0000 34208.5724 -149247.0095 298.7520 -183455.5818 -149146.9914 299.0386 24.8443 56.7406 558000.7712 9.4899 9.6034 PRESSURE: 316600 -163.665 -82.4498 -73.9188 -82.4499 -179.577 67.0971 -73.9177 67.0945 -61.9791 GPRESSURE: 316600 -171.093 -67.9849 10.9784 -5.15574 -138.105 39.0731 -31.9497 110.624 11.9369 PRESSAVG: 316600 -18.6469 -38.0912 48.3814 -38.0913 -4.94122 31.6996 48.3814 31.6996 1.09575 GPRESSAVG: 316600 -17.9185 -36.6468 48.2506 -37.3477 -5.04105 30.9633 49.2494 30.3868 1.07181 TIMING: 316600 CPU: 945.215, 0.00296942/step Wall: 945.215, 0.00296942/step, 3.86305 hours remaining, 207.058594 MB of memory in use. ENERGY: 316600 724.7725 2052.1889 1926.1297 120.9873 -206049.7751 17733.4854 0.0000 0.0000 34229.3629 -149262.8485 298.9335 -183492.2114 -149169.8374 299.0691 -135.0737 -99.0871 558137.2206 -7.4975 -7.2959 PRESSURE: 316800 -62.8557 -99.6956 72.1269 -99.6966 -18.1368 -0.716837 72.1291 -0.716529 -40.9438 GPRESSURE: 316800 -25.7264 -112.076 125.839 -61.8934 16.7311 56.1585 51.5561 -55.2177 -29.2651 PRESSAVG: 316800 32.0114 -93.6861 25.4783 -93.6861 34.3597 -32.8496 25.4784 -32.8496 -23.5594 GPRESSAVG: 316800 31.8875 -94.2211 26.1341 -94.2208 35.6696 -32.8698 25.2763 -33.3998 -25.052 TIMING: 316800 CPU: 945.806, 0.00295394/step Wall: 945.806, 0.00295394/step, 3.84274 hours remaining, 207.058594 MB of memory in use. ENERGY: 316800 741.7073 2072.3302 1928.9685 102.2533 -206183.4950 17788.5032 0.0000 0.0000 34369.0901 -149180.6423 300.1538 -183549.7324 -149085.3294 299.5898 -40.6454 -12.7535 556776.9426 14.2706 14.1684 PRESSURE: 317000 118.212 -41.5643 42.6318 -41.5637 -379.27 -87.0372 42.6316 -87.0376 -115.794 GPRESSURE: 317000 117.992 -50.8772 97.305 1.61279 -331.85 -105.215 33.3137 -30.0333 -60.1897 PRESSAVG: 317000 24.394 -56.0229 62.0256 -56.0229 50.1739 -50.6631 62.0256 -50.6632 -75.4402 GPRESSAVG: 317000 24.2609 -56.1477 60.5453 -55.8116 49.0229 -51.2719 61.434 -49.6902 -74.0997 TIMING: 317000 CPU: 946.404, 0.00299005/step Wall: 946.404, 0.00299005/step, 3.88956 hours remaining, 207.058594 MB of memory in use. ENERGY: 317000 725.3050 2113.5189 1935.9863 112.9469 -205989.1296 17443.0879 0.0000 0.0000 34451.6886 -149206.5961 300.8752 -183658.2847 -149110.3213 299.8804 -125.6176 -91.3493 554651.5913 -0.2907 -0.2720 PRESSURE: 317200 85.2372 191.718 14.3779 191.718 -52.8773 26.7558 14.3793 26.7553 -353.034 GPRESSURE: 317200 108.242 192.104 13.0434 123.157 5.47138 -16.546 72.6477 46.0973 -331.591 PRESSAVG: 317200 22.7136 -31.3691 19.2804 -31.3692 83.5703 44.1611 19.2803 44.1612 -77.4402 GPRESSAVG: 317200 24.1688 -30.7488 19.1395 -32.211 83.0448 43.261 18.3586 44.1789 -78.2502 TIMING: 317200 CPU: 946.996, 0.00295628/step Wall: 946.996, 0.00295628/step, 3.84547 hours remaining, 207.058594 MB of memory in use. ENERGY: 317200 746.1973 2067.8088 1932.3846 107.5875 -206077.0108 17581.0481 0.0000 0.0000 34197.8091 -149444.1753 298.6580 -183641.9844 -149349.4712 299.3248 -106.8912 -72.6259 556230.2961 9.6145 9.6545 PRESSURE: 317400 -78.3836 16.8296 -137.073 16.83 -130.02 -19.0632 -137.073 -19.0627 31.7275 GPRESSURE: 317400 -17.4438 -44.0487 -121.068 38.077 -131.039 -69.1818 -96.5961 -1.42465 66.7234 PRESSAVG: 317400 64.7171 -1.8914 -17.5948 -1.89144 -57.9995 9.00056 -17.5948 9.00049 -28.7312 GPRESSAVG: 317400 64.1474 -2.02647 -18.1637 -2.57595 -57.9094 11.4926 -16.4526 8.89278 -28.7818 TIMING: 317400 CPU: 947.585, 0.00294944/step Wall: 947.585, 0.00294944/step, 3.8364 hours remaining, 207.058594 MB of memory in use. ENERGY: 317400 727.1698 2003.9445 1948.5953 110.6174 -206262.3969 17634.3985 0.0000 0.0000 34346.7059 -149490.9656 299.9583 -183837.6715 -149393.9504 298.9240 -58.8919 -27.2531 555844.4275 -7.3379 -7.5146 PRESSURE: 317600 -51.1871 -8.51662 -27.6478 -8.51765 -280.686 -12.3122 -27.6477 -12.3118 -257.841 GPRESSURE: 317600 55.52 -30.1463 -30.7625 -17.3779 -289.224 -45.4331 18.3093 -2.93173 -244.649 PRESSAVG: 317600 69.3344 37.8315 -15.2889 37.8315 -51.3982 -22.1344 -15.2889 -22.1344 23.6291 GPRESSAVG: 317600 68.8113 36.7058 -15.2509 38.2717 -51.1351 -24.6683 -14.7842 -20.1863 23.5264 TIMING: 317600 CPU: 948.177, 0.00295591/step Wall: 948.177, 0.00295591/step, 3.84465 hours remaining, 207.058594 MB of memory in use. ENERGY: 317600 778.3561 2020.9529 1949.6828 115.6912 -206146.4983 17691.2309 0.0000 0.0000 34144.8956 -149445.6889 298.1959 -183590.5845 -149354.0595 298.1862 -196.5715 -159.4508 556769.3576 13.8551 13.7342 PRESSURE: 317800 -123.009 -116.559 103.633 -116.559 -69.6873 86.8295 103.632 86.8278 -73.8459 GPRESSURE: 317800 -85.4432 -96.2129 144.88 -129.587 -11.8896 38.1347 -3.12249 -4.88261 -70.8044 PRESSAVG: 317800 7.29183 15.4826 11.1477 15.4826 -19.038 -3.10037 11.1477 -3.1004 -26.3563 GPRESSAVG: 317800 6.97256 18.4194 13.0965 14.0929 -19.8599 -3.78162 8.91726 -3.99819 -25.1856 TIMING: 317800 CPU: 948.776, 0.00299549/step Wall: 948.776, 0.00299549/step, 3.89596 hours remaining, 207.058594 MB of memory in use. ENERGY: 317800 758.2266 2052.5716 1956.1994 116.0637 -206223.7478 17682.3879 0.0000 0.0000 34247.5948 -149410.7039 299.0928 -183658.2987 -149313.9765 298.7315 -88.8474 -56.0457 557185.4103 -12.7008 -12.6910 PRESSURE: 318000 18.7187 97.9183 7.86431 97.9187 52.4831 27.394 7.86521 27.395 -61.449 GPRESSURE: 318000 19.276 74.8157 34.5586 113.241 91.4074 123.152 29.9686 -54.2336 -9.07335 PRESSAVG: 318000 -10.8827 -0.216574 26.1428 -0.216499 -26.4085 -51.5909 26.1429 -51.5907 47.9244 GPRESSAVG: 318000 -10.8385 -0.719329 24.922 0.226533 -25.7546 -49.5626 27.698 -52.3453 47.3649 TIMING: 318000 CPU: 949.372, 0.00298188/step Wall: 949.372, 0.00298188/step, 3.87809 hours remaining, 207.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 318000 757.9205 2124.9661 1955.0416 116.7132 -206460.3617 17837.7864 0.0000 0.0000 34251.9515 -149415.9824 299.1308 -183667.9340 -149323.4525 298.7531 3.2510 33.8700 557336.2389 3.5444 3.5906 PRESSURE: 318200 -113.198 -6.08114 -19.8294 -6.0811 233.328 -18.7388 -19.8279 -18.7399 -134.39 GPRESSURE: 318200 -29.217 -61.2032 -2.66146 2.86202 272.315 -47.8641 30.8396 -8.66619 -161.581 PRESSAVG: 318200 -64.7161 -17.3933 16.4467 -17.3934 30.3157 -7.82139 16.4467 -7.82147 42.3914 GPRESSAVG: 318200 -64.4433 -18.4771 17.6321 -16.8865 30.3677 -8.06106 15.2004 -7.93416 42.3343 TIMING: 318200 CPU: 949.968, 0.00297868/step Wall: 949.968, 0.00297868/step, 3.87378 hours remaining, 207.058594 MB of memory in use. ENERGY: 318200 730.1134 2088.8555 1947.6337 113.0342 -206543.2972 17948.1909 0.0000 0.0000 34257.1966 -149458.2730 299.1766 -183715.4695 -149364.1151 298.4845 -4.7531 27.1724 557733.9500 2.6637 2.7529 PRESSURE: 318400 -32.0026 -3.58515 -88.479 -3.58501 -293.532 -110.854 -88.4802 -110.855 -162.389 GPRESSURE: 318400 32.8982 -66.8993 -145.98 -44.3665 -236.62 -138.136 -54.8953 -153.294 -197.56 PRESSAVG: 318400 32.571 50.6942 15.8552 50.6942 -18.2474 -51.3744 15.8553 -51.3745 -45.5949 GPRESSAVG: 318400 32.3418 50.336 15.2537 51.1231 -18.0037 -53.6584 17.3392 -50.0794 -45.1335 TIMING: 318400 CPU: 950.565, 0.00298472/step Wall: 950.565, 0.00298472/step, 3.88147 hours remaining, 207.058594 MB of memory in use. ENERGY: 318400 748.3905 2105.0818 1947.0922 111.0863 -206323.0689 17800.6116 0.0000 0.0000 34195.1978 -149415.6086 298.6352 -183610.8064 -149320.1148 298.2659 -162.6414 -133.7606 558958.8601 -10.4238 -10.2651 PRESSURE: 318600 -110.181 -63.0785 2.74838 -63.0781 152.276 108.651 2.74878 108.651 99.8269 GPRESSURE: 318600 -75.2435 -65.5761 147.703 -10.2865 185.704 155.704 -84.831 155.994 120.117 PRESSAVG: 318600 7.32792 37.3422 -7.86562 37.3421 -20.9826 4.35031 -7.86567 4.3502 31.5741 GPRESSAVG: 318600 7.36985 37.1883 -4.8503 38.4645 -20.9358 5.96934 -9.53947 3.21352 31.6664 TIMING: 318600 CPU: 951.169, 0.00301966/step Wall: 951.169, 0.00301966/step, 3.92673 hours remaining, 207.058594 MB of memory in use. ENERGY: 318600 754.9489 2071.8417 1969.1585 109.2300 -206293.7253 18005.9478 0.0000 0.0000 34003.1701 -149379.4284 296.9581 -183382.5985 -149284.2135 298.7896 47.3073 76.8592 557172.8439 5.9732 6.0335 PRESSURE: 318800 120.204 -81.6615 155.708 -81.6626 71.5111 -26.6613 155.71 -26.6607 45.7077 GPRESSURE: 318800 104.773 -43.6118 75.769 -39.4448 108.874 -8.45191 238.263 -27.3743 122.749 PRESSAVG: 318800 -25.8605 -6.84984 -5.91876 -6.84983 6.47998 24.1015 -5.91862 24.1015 32.0848 GPRESSAVG: 318800 -26.911 -8.66978 -8.30376 -7.39026 8.05591 24.2783 -3.16921 23.6449 31.7714 TIMING: 318800 CPU: 951.771, 0.00300913/step Wall: 951.771, 0.00300913/step, 3.91287 hours remaining, 207.058594 MB of memory in use. ENERGY: 318800 738.4695 2165.9733 1945.2098 107.6700 -206417.3285 17903.8404 0.0000 0.0000 34136.4599 -149419.7056 298.1222 -183556.1655 -149321.4511 298.8797 79.1407 112.1318 556171.4817 4.2348 4.3054 PRESSURE: 319000 55.2956 36.4547 -85.5074 36.4532 -74.2499 53.4592 -85.5063 53.46 -175.107 GPRESSURE: 319000 129.196 -45.0826 -18.8074 65.3423 -36.8378 53.5674 -146.596 76.9288 -182.802 PRESSAVG: 319000 -16.3222 33.52 81.5688 33.52 9.90488 14.3295 81.5688 14.3295 -13.0526 GPRESSAVG: 319000 -14.863 34.0787 81.1273 33.356 8.56907 15.692 80.1949 16.2688 -13.2435 TIMING: 319000 CPU: 952.374, 0.00301906/step Wall: 952.374, 0.00301906/step, 3.92562 hours remaining, 207.058594 MB of memory in use. ENERGY: 319000 732.6185 2107.7915 1937.8556 116.8274 -206325.9074 17843.4541 0.0000 0.0000 34235.9018 -149351.4587 298.9906 -183587.3604 -149247.2396 298.6037 -64.6871 -30.1477 558608.2285 -6.4900 -6.5125 PRESSURE: 319200 -206.575 145.692 98.0667 145.691 -151.545 20.2719 98.0676 20.2727 -109.043 GPRESSURE: 319200 -158.294 129.974 89.3345 113.679 -133.723 -30.6791 11.7643 60.179 -65.9371 PRESSAVG: 319200 28.6838 6.57544 -24.7927 6.57548 -64.8337 -20.1743 -24.7926 -20.1742 -23.6423 GPRESSAVG: 319200 27.8114 7.56984 -23.1378 7.70526 -65.0317 -22.1038 -24.1412 -19.5249 -22.72 TIMING: 319200 CPU: 952.976, 0.00300817/step Wall: 952.976, 0.00300817/step, 3.91128 hours remaining, 207.195312 MB of memory in use. ENERGY: 319200 722.5020 2082.2695 1923.4460 121.2531 -205651.2463 17396.1756 0.0000 0.0000 34116.3735 -149289.2265 297.9468 -183405.6001 -149186.1623 298.9086 -155.7208 -119.3181 557624.6341 -19.9308 -19.9801 PRESSURE: 319400 263.307 -52.7525 -75.1975 -52.7515 -19.5665 45.4527 -75.1982 45.4533 110.702 GPRESSURE: 319400 278.466 -78.8759 -72.0624 -5.8658 33.7175 36.7661 -41.4806 55.2657 147.544 PRESSAVG: 319400 49.2362 -5.66803 -19.5637 -5.66812 -24.4004 7.71836 -19.5638 7.71829 5.25255 GPRESSAVG: 319400 49.0352 -5.64242 -19.7291 -5.76894 -24.5199 8.56659 -20.2054 6.04664 5.5139 TIMING: 319400 CPU: 953.579, 0.00301501/step Wall: 953.579, 0.00301501/step, 3.92001 hours remaining, 207.195312 MB of memory in use. ENERGY: 319400 732.2338 2076.7070 1951.1760 135.5121 -206310.9503 17809.7982 0.0000 0.0000 34342.1928 -149263.3304 299.9189 -183605.5232 -149173.1208 298.9019 118.1476 153.2425 555066.2207 10.0295 10.0097 PRESSURE: 319600 39.8563 -60.2277 13.7147 -60.228 253.098 -94.0384 13.7152 -94.0382 -34.4267 GPRESSURE: 319600 93.565 -105.163 -1.99543 8.24776 256.407 -64.5668 19.6578 -113.506 -8.25923 PRESSAVG: 319600 48.399 34.7975 -8.46111 34.7975 -42.6054 8.05076 -8.46114 8.05081 5.49299 GPRESSAVG: 319600 48.4416 32.9439 -7.7303 33.2975 -42.6718 8.53561 -9.54738 8.75245 5.76274 TIMING: 319600 CPU: 954.178, 0.00299535/step Wall: 954.178, 0.00299535/step, 3.89428 hours remaining, 207.195312 MB of memory in use. ENERGY: 319600 727.0392 2112.3780 1938.1066 125.0041 -206633.0359 18062.0564 0.0000 0.0000 34234.5319 -149433.9198 298.9787 -183668.4516 -149335.0890 299.4780 86.1757 113.9042 556194.9505 3.7622 3.8442 PRESSURE: 319800 6.61302 91.9411 -135.686 91.9419 -149.044 27.4963 -135.685 27.4956 -24.1758 GPRESSURE: 319800 7.09552 18.15 -133.713 80.655 -104.377 28.0862 -177.66 2.77632 16.8799 PRESSAVG: 319800 -61.1648 -20.1464 -50.3589 -20.1464 -48.4629 -12.7853 -50.359 -12.7852 98.947 GPRESSAVG: 319800 -60.4516 -18.066 -50.0412 -19.9632 -48.4968 -12.8349 -53.1202 -14.1963 98.3856 TIMING: 319800 CPU: 954.779, 0.00300276/step Wall: 954.779, 0.00300276/step, 3.90375 hours remaining, 207.195312 MB of memory in use. ENERGY: 319800 765.0263 2112.9359 1910.1637 115.9777 -206713.3806 17862.3545 0.0000 0.0000 34446.0245 -149500.8979 300.8257 -183946.9224 -149404.2991 298.8893 -55.5355 -26.8004 557295.7115 -3.5602 -3.5209 PRESSURE: 320000 116.893 -236.387 126.923 -236.387 -306.427 17.2687 126.924 17.2708 -73.5685 GPRESSURE: 320000 52.6461 -231.853 133.84 -217.596 -187.645 -59.0162 152.624 7.75067 -27.2208 PRESSAVG: 320000 7.23139 -41.8825 38.4434 -41.8825 -27.3999 -8.73025 38.4434 -8.73035 20.5516 GPRESSAVG: 320000 6.71491 -42.7099 37.1733 -40.8996 -26.7648 -9.73044 42.4286 -7.34465 20.0256 TIMING: 320000 CPU: 955.377, 0.00299252/step Wall: 955.377, 0.00299252/step, 3.89028 hours remaining, 207.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 320000 760.1148 2078.2880 1936.6787 94.5861 -206131.1206 17778.7545 0.0000 0.0000 34176.1517 -149306.5468 298.4688 -183482.6985 -149211.7170 299.2511 -87.7010 -54.0733 557924.5076 0.1277 -0.0081 PRESSURE: 320200 -129.44 -118.682 52.1526 -118.681 125.195 86.0994 52.1531 86.0986 209.138 GPRESSURE: 320200 -76.1043 -117.592 92.6706 -135.107 145.34 49.8216 10.2146 160.288 232.068 PRESSAVG: 320200 10.759 -27.7565 32.7725 -27.7565 -0.590627 27.6977 32.7724 27.6976 -10.977 GPRESSAVG: 320200 10.3368 -28.5861 34.1446 -27.6831 -0.664201 30.6982 32.6243 26.6556 -11.1823 TIMING: 320200 CPU: 955.979, 0.00300712/step Wall: 955.979, 0.00300713/step, 3.9091 hours remaining, 207.195312 MB of memory in use. ENERGY: 320200 756.8218 2087.5560 1948.0768 111.9597 -206618.0452 17871.0032 0.0000 0.0000 34412.3507 -149430.2769 300.5316 -183842.6276 -149335.5131 298.8943 68.2975 100.4348 557043.7532 -0.2695 -0.5032 LDB: ============= START OF LOAD BALANCING ============== 959.524 LDB: ============== END OF LOAD BALANCING =============== 959.525 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 959.526 LDB: ============= START OF LOAD BALANCING ============== 959.825 LDB: Largest compute 4795 load 0.029496 is 25.0% of average load 0.118018 LDB: Average compute 0.001725 is 1.5% of average load 0.118018 LDB: TIME 959.827 LOAD: AVG 0.118018 MAX 0.207814 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.785 MB LDB: TIME 959.827 LOAD: AVG 0.118018 MAX 0.207814 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.789 MB LDB: TIME 959.827 LOAD: AVG 0.118018 MAX 0.207814 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.789 MB LDB: ============== END OF LOAD BALANCING =============== 959.829 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 959.833 PRESSURE: 320400 -32.1397 27.1294 141.309 27.1303 -89.2402 -142.823 141.311 -142.823 210.766 GPRESSURE: 320400 -25.8346 80.5407 232.46 -55.7598 -23.6876 -126.215 77.872 -177.918 237.793 PRESSAVG: 320400 42.5914 -23.1631 21.1582 -23.1631 -12.8206 15.161 21.1583 15.1611 -18.3266 GPRESSAVG: 320400 42.6888 -21.6834 21.4661 -24.6409 -13.1888 13.812 19.0695 16.7476 -18.4459 TIMING: 320400 CPU: 956.583, 0.0030243/step Wall: 956.583, 0.0030243/step, 3.93125 hours remaining, 206.785156 MB of memory in use. ENERGY: 320400 703.9004 2066.9259 1926.8303 116.4720 -206567.3902 17990.1066 0.0000 0.0000 34321.7922 -149441.3628 299.7407 -183763.1549 -149342.2143 299.0643 29.7953 62.7569 558434.0334 3.8147 3.6847 PRESSURE: 320600 68.5183 -82.3285 -93.557 -82.3276 -44.2075 -38.8913 -93.5566 -38.8924 249.034 GPRESSURE: 320600 111.918 10.9614 -171.687 -137.727 -35.1259 -68.9343 -52.8433 14.9421 284.926 PRESSAVG: 320600 20.9323 14.1033 14.6193 14.1033 -6.85038 21.013 14.6194 21.013 -12.2804 GPRESSAVG: 320600 20.465 14.0146 12.551 14.802 -7.61831 17.8603 16.1947 21.3734 -10.8635 TIMING: 320600 CPU: 957.176, 0.00296265/step Wall: 957.176, 0.00296265/step, 3.85095 hours remaining, 206.785156 MB of memory in use. ENERGY: 320600 734.4791 2116.7947 1927.1145 113.7330 -206756.2672 18082.0920 0.0000 0.0000 34277.4833 -149504.5706 299.3538 -183782.0539 -149408.1450 299.6790 91.1148 120.5728 556492.8756 0.6005 0.6611 PRESSURE: 320800 121.389 107.726 92.4331 107.725 -210.345 38.4426 92.4332 38.4431 -137.799 GPRESSURE: 320800 185.638 64.3794 30.5424 80.8567 -176.516 62.1713 56.5094 67.8084 -129.609 PRESSAVG: 320800 -15.029 11.7955 -17.3661 11.7955 -6.8468 10.1323 -17.3662 10.1322 20.8699 GPRESSAVG: 320800 -13.9268 10.564 -16.5241 12.8638 -7.54712 12.7392 -17.8676 7.16036 20.4377 TIMING: 320800 CPU: 957.768, 0.00295916/step Wall: 957.768, 0.00295916/step, 3.84625 hours remaining, 206.785156 MB of memory in use. ENERGY: 320800 732.7842 2066.9474 1947.5048 114.7341 -206451.6003 17771.2950 0.0000 0.0000 34194.5364 -149623.7985 298.6294 -183818.3349 -149526.3197 298.7524 -75.5850 -40.1624 557801.2744 -0.3353 -0.3454 PRESSURE: 321000 -50.6421 111.474 95.4823 111.475 -56.4949 -36.201 95.4821 -36.2002 -407.921 GPRESSURE: 321000 -31.9872 122.057 61.786 110.931 38.2176 2.03317 159.12 -128.256 -423.962 PRESSAVG: 321000 60.83 12.1655 -53.9518 12.1654 12.5067 45.5885 -53.9519 45.5886 -81.5493 GPRESSAVG: 321000 59.3974 14.2872 -53.9189 8.36905 14.1419 43.9892 -52.9842 47.2289 -82.0552 TIMING: 321000 CPU: 958.362, 0.0029735/step Wall: 958.362, 0.0029735/step, 3.86473 hours remaining, 206.785156 MB of memory in use. ENERGY: 321000 735.0835 2086.9854 1939.0039 120.6320 -206318.1192 17641.1238 0.0000 0.0000 34314.6260 -149480.6646 299.6782 -183795.2905 -149380.1977 299.1740 -171.6861 -139.2439 556693.5476 -2.7376 -2.8386 PRESSURE: 321200 -218.542 -252.249 46.0002 -252.248 295.799 -47.7808 45.9992 -47.7814 -48.2231 GPRESSURE: 321200 -208.75 -208.641 -24.2757 -303.828 371.102 12.8004 -18.2665 -79.5798 -30.2611 PRESSAVG: 321200 -46.659 -59.8545 41.6468 -59.8545 76.9801 10.291 41.6469 10.2911 -28.9381 GPRESSAVG: 321200 -45.6054 -62.4457 42.2192 -57.7177 76.9562 10.3736 39.5111 10.1403 -29.7874 TIMING: 321200 CPU: 958.958, 0.00297888/step Wall: 958.958, 0.00297888/step, 3.87155 hours remaining, 206.785156 MB of memory in use. ENERGY: 321200 733.2730 2109.8129 1953.1121 115.8935 -206373.3936 17710.9149 0.0000 0.0000 34290.3826 -149460.0046 299.4664 -183750.3872 -149356.1690 298.9506 9.6779 44.0303 557075.6059 0.4610 0.5211 PRESSURE: 321400 22.873 -65.7663 -162.994 -65.7646 -23.7226 -48.2343 -162.995 -48.2343 50.3152 GPRESSURE: 321400 65.5114 -135.943 -144.369 -26.9465 15.4141 -43.2997 -183.333 -13.8999 79.5359 PRESSAVG: 321400 -42.9702 -5.5963 -5.44368 -5.59635 62.6845 -31.9526 -5.44362 -31.9526 -14.9555 GPRESSAVG: 321400 -42.8603 -4.80268 -6.57526 -6.22738 62.1121 -30.7671 -4.25055 -29.7273 -14.3392 TIMING: 321400 CPU: 959.553, 0.00297263/step Wall: 959.553, 0.00297263/step, 3.86327 hours remaining, 206.785156 MB of memory in use. ENERGY: 321400 743.9295 2005.4544 1922.3404 107.2152 -205935.4796 17698.3659 0.0000 0.0000 34102.3855 -149355.7887 297.8246 -183458.1742 -149268.8726 298.9704 16.4885 53.4871 556532.9746 1.5863 1.6375 PRESSURE: 321600 221.208 -50.8402 -216.632 -50.8405 -63.6283 -77.8214 -216.632 -77.8222 71.7046 GPRESSURE: 321600 255.085 -54.3617 -177.217 0.491936 -21.1544 -91.96 -225.411 -62.2397 96.1851 PRESSAVG: 321600 -5.37274 -16.6974 -93.3409 -16.6974 20.9046 -38.5435 -93.341 -38.5435 15.9596 GPRESSAVG: 321600 -5.88756 -14.9746 -90.5302 -17.1166 21.2802 -39.0898 -95.0071 -40.0859 16.6438 TIMING: 321600 CPU: 960.153, 0.00300144/step Wall: 960.153, 0.00300144/step, 3.90054 hours remaining, 206.785156 MB of memory in use. ENERGY: 321600 725.5610 2022.9272 1935.2036 105.1660 -206472.6380 17982.6604 0.0000 0.0000 34434.4330 -149266.6869 300.7245 -183701.1199 -149171.4150 299.3973 76.4281 110.0386 556860.0301 10.4972 10.6788 PRESSURE: 321800 7.36218 -28.5198 -70.0784 -28.5213 -20.2718 124.099 -70.0776 124.1 85.1975 GPRESSURE: 321800 65.7821 -22.5917 -115.36 30.6116 -22.0582 75.9586 -30.8028 101.667 125.98 PRESSAVG: 321800 -45.6556 9.08863 -30.4199 9.08872 72.6622 -3.21348 -30.42 -3.21351 -14.5549 GPRESSAVG: 321800 -44.4887 8.64666 -32.4355 10.9597 70.5303 -2.33 -29.4443 -4.46116 -13.3275 TIMING: 321800 CPU: 960.751, 0.00298887/step Wall: 960.751, 0.00298887/step, 3.88403 hours remaining, 206.785156 MB of memory in use. ENERGY: 321800 713.1389 2063.0900 1956.5799 97.8025 -206141.7593 17743.4386 0.0000 0.0000 34170.4218 -149397.2878 298.4188 -183567.7096 -149301.4401 299.1728 24.0959 56.5680 556974.5305 4.1505 4.2381 PRESSURE: 322000 23.206 -152.213 109.587 -152.214 -17.9193 -20.7922 109.589 -20.7939 -7.53181 GPRESSURE: 322000 30.7745 -169.537 10.5354 -117.676 43.9605 -17.6214 151.82 -13.3285 29.373 PRESSAVG: 322000 -45.0944 -35.4971 -38.3742 -35.4971 27.7748 29.7548 -38.3741 29.7548 53.0712 GPRESSAVG: 322000 -45.5895 -35.7474 -35.9002 -36.3325 29.3785 29.2223 -40.0692 28.137 51.8667 TIMING: 322000 CPU: 961.351, 0.00299937/step Wall: 961.351, 0.00299937/step, 3.89752 hours remaining, 206.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 322000 748.0173 2098.7730 1921.6081 105.1174 -206474.6523 17957.3559 0.0000 0.0000 34107.3563 -149536.4243 297.8680 -183643.7806 -149444.7467 298.7847 -0.7484 34.7026 557747.1696 11.9172 11.8852 PRESSURE: 322200 190.237 -56.0982 131.918 -56.0986 59.0658 -177.578 131.918 -177.578 -120.139 GPRESSURE: 322200 228.618 0.408644 90.0137 17.9704 57.0107 -160.586 189.869 -181.599 -71.8631 PRESSAVG: 322200 23.8544 -50.3819 20.4192 -50.382 -42.8305 61.0442 20.4191 61.0441 -6.63249 GPRESSAVG: 322200 23.5337 -49.4793 17.0471 -50.5106 -42.7964 60.5232 23.1113 64.3622 -6.39265 TIMING: 322200 CPU: 961.947, 0.00298039/step Wall: 961.947, 0.00298039/step, 3.87269 hours remaining, 206.785156 MB of memory in use. ENERGY: 322200 759.8872 2078.0187 1928.7211 104.4752 -206698.6348 17958.4812 0.0000 0.0000 34233.3492 -149635.7022 298.9684 -183869.0514 -149551.3365 298.6602 43.0547 71.2551 556707.5748 -8.5362 -8.5518 PRESSURE: 322400 -158.718 182.001 73.9374 182.003 -159.021 48.4314 73.9378 48.4339 114.946 GPRESSURE: 322400 -79.0524 115.279 54.7795 150.357 -187.529 100.831 101.03 -20.8335 162.803 PRESSAVG: 322400 70.1958 -23.0157 60.1426 -23.0156 -61.8912 3.68145 60.1426 3.68131 -17.0219 GPRESSAVG: 322400 70.4727 -24.4715 60.4921 -21.7632 -62.9852 4.73398 58.0684 1.78042 -16.0458 TIMING: 322400 CPU: 962.54, 0.00296381/step Wall: 962.54, 0.00296381/step, 3.85097 hours remaining, 206.785156 MB of memory in use. ENERGY: 322400 729.3196 2076.5904 1944.5919 109.6329 -206388.3387 17812.3164 0.0000 0.0000 34200.9128 -149514.9749 298.6851 -183715.8877 -149428.1767 298.6583 -67.5978 -34.5928 557226.7150 -2.9058 -2.8528 PRESSURE: 322600 400.006 93.8267 106.669 93.8273 -44.8456 -42.6237 106.669 -42.624 73.4332 GPRESSURE: 322600 382.414 101.589 23.475 9.79978 21.7788 -86.0211 195.068 -35.5178 114.924 PRESSAVG: 322600 78.5566 -30.1854 24.2349 -30.1855 -75.767 8.51607 24.235 8.51608 -31.9744 GPRESSAVG: 322600 78.7473 -29.4352 23.3813 -31.1344 -75.0368 7.88503 24.191 8.77599 -33.2857 TIMING: 322600 CPU: 963.138, 0.00299387/step Wall: 963.138, 0.00299387/step, 3.88987 hours remaining, 206.785156 MB of memory in use. ENERGY: 322600 761.4897 2091.4955 1932.1014 110.6022 -206643.2220 18029.5264 0.0000 0.0000 34081.4834 -149636.5234 297.6421 -183718.0068 -149542.0179 298.1527 142.8644 173.0391 555337.9771 -9.7283 -9.8584 PRESSURE: 322800 -55.5963 114.239 24.6119 114.239 -90.1199 64.0197 24.6131 64.0178 5.40472 GPRESSURE: 322800 -1.84699 80.2078 148.725 196.321 -58.7655 35.7183 -20.9825 21.5855 9.72517 PRESSAVG: 322800 -19.1671 -40.8888 -0.880198 -40.8888 21.7506 -5.44471 -0.880292 -5.44475 5.55755 GPRESSAVG: 322800 -18.6537 -38.8253 1.51223 -41.8887 21.1434 -4.41658 -2.4276 -4.83127 5.64481 TIMING: 322800 CPU: 963.727, 0.00294284/step Wall: 963.727, 0.00294284/step, 3.8234 hours remaining, 206.785156 MB of memory in use. ENERGY: 322800 726.9515 2066.8737 1967.2735 107.5310 -206538.7737 17881.9954 0.0000 0.0000 34237.3270 -149550.8217 299.0031 -183788.1487 -149465.8396 298.2268 -46.7705 -16.9624 558097.8055 2.7137 2.7115 PRESSURE: 323000 99.4644 -55.2784 214.184 -55.2779 60.6502 -154.312 214.184 -154.311 -36.1216 GPRESSURE: 323000 114.133 -9.998 145.675 12.953 94.6663 -45.4523 180.319 -190.808 -1.4702 PRESSAVG: 323000 81.3332 52.746 -11.6562 52.746 -28.6644 -40.5178 -11.6561 -40.5177 -58.4002 GPRESSAVG: 323000 82.1516 51.2766 -13.8107 54.243 -29.8585 -39.6731 -10.7319 -40.2507 -59.1098 TIMING: 323000 CPU: 964.322, 0.00297697/step Wall: 964.322, 0.00297697/step, 3.86758 hours remaining, 206.785156 MB of memory in use. ENERGY: 323000 736.3943 2070.3030 1919.3497 97.8291 -206190.8840 17776.3598 0.0000 0.0000 34119.1466 -149471.5015 297.9710 -183590.6481 -149383.4170 298.9698 41.3310 69.1096 558291.7761 -1.9105 -2.2722 PRESSURE: 323200 4.13363 38.0303 58.3157 38.0317 -177.958 7.10928 58.3166 7.11018 -379.229 GPRESSURE: 323200 43.8336 39.0658 -21.3539 54.9111 -194.631 -16.2278 42.993 49.8936 -322.942 PRESSAVG: 323200 32.4994 67.1625 43.6558 67.1624 35.9977 -10.5173 43.6557 -10.5173 -52.1468 GPRESSAVG: 323200 30.4592 66.8622 44.6006 67.7334 36.7607 -10.9125 43.422 -10.8465 -50.5814 TIMING: 323200 CPU: 964.922, 0.00300071/step Wall: 964.922, 0.00300071/step, 3.89826 hours remaining, 206.785156 MB of memory in use. ENERGY: 323200 773.5954 2038.0065 1940.7045 103.7635 -205800.6036 17503.0234 0.0000 0.0000 34139.4248 -149302.0855 298.1481 -183441.5103 -149210.5706 299.1941 -184.3511 -157.9132 558726.7325 5.4501 5.5462 PRESSURE: 323400 241.768 165.399 105.605 165.399 -37.6468 10.7745 105.605 10.7749 -213.414 GPRESSURE: 323400 229.043 220.185 127.231 123.671 -6.1815 117.441 85.169 -77.7922 -146.258 PRESSAVG: 323400 53.3368 24.0194 -37.2805 24.0195 -13.3334 -38.1158 -37.2805 -38.1159 -26.5089 GPRESSAVG: 323400 54.88 25.0604 -39.2669 22.483 -12.8922 -37.9286 -34.2398 -36.2986 -28.5095 TIMING: 323400 CPU: 965.517, 0.00297552/step Wall: 965.517, 0.00297552/step, 3.86536 hours remaining, 206.785156 MB of memory in use. ENERGY: 323400 744.7656 2099.0523 1933.0819 106.3084 -205781.9687 17729.0556 0.0000 0.0000 34127.4788 -149042.2260 298.0438 -183169.7048 -148946.8651 298.8113 -3.0976 25.5345 557607.6806 4.4982 4.4927 PRESSURE: 323600 13.6485 -151.734 -53.8273 -151.735 7.38832 -84.4122 -53.8271 -84.4119 -283.156 GPRESSURE: 323600 -4.7883 -97.461 -96.1573 -179.569 56.1341 -154.519 -46.9675 6.56034 -223.004 PRESSAVG: 323600 -40.0506 0.334998 30.8429 0.335047 1.03675 1.28833 30.8431 1.28822 11.6925 GPRESSAVG: 323600 -41.0489 0.25889 33.2109 0.52907 -0.186088 -0.599112 29.1015 0.20403 13.7942 TIMING: 323600 CPU: 966.113, 0.00297545/step Wall: 966.113, 0.00297545/step, 3.86511 hours remaining, 206.785156 MB of memory in use. ENERGY: 323600 735.1342 2062.3440 1953.8954 123.2553 -205857.9134 17715.6451 0.0000 0.0000 34202.8467 -149064.7927 298.7020 -183267.6394 -148965.1485 299.2592 -87.3731 -57.2195 558798.0400 -9.1071 -9.1469 PRESSURE: 323800 -12.6554 -69.2371 8.51176 -69.2372 -100.468 -134.224 8.50973 -134.224 -184.826 GPRESSURE: 323800 37.4066 -104.191 -41.3225 -42.1283 -62.3291 -36.495 90.3103 -191.527 -174.778 PRESSAVG: 323800 20.3027 4.24829 15.7014 4.24829 43.1643 29.4021 15.7014 29.4022 -44.2221 GPRESSAVG: 323800 20.4051 4.31906 12.8245 4.54584 45.478 31.0464 19.6677 30.3368 -46.1088 TIMING: 323800 CPU: 966.704, 0.00295508/step Wall: 966.704, 0.00295508/step, 3.83849 hours remaining, 206.785156 MB of memory in use. ENERGY: 323800 787.6280 2042.3120 1929.4324 118.9777 -205984.8642 17639.1851 0.0000 0.0000 34521.9303 -148945.3987 301.4886 -183467.3290 -148852.4765 299.6627 -99.3165 -66.5668 557843.1452 6.4150 6.5914 PRESSURE: 324000 161.545 -29.943 158.515 -29.9424 46.9633 -25.3847 158.514 -25.3856 107.645 GPRESSURE: 324000 241.106 -64.9446 160.466 -9.35513 43.5366 -147.432 130.698 -20.0551 132.951 PRESSAVG: 324000 44.0597 19.6933 -19.0373 19.6933 -65.6902 -1.59613 -19.0373 -1.59625 16.851 GPRESSAVG: 324000 43.5656 19.1264 -16.6197 19.4533 -66.6685 -2.76141 -21.0233 -1.25025 18.5812 TIMING: 324000 CPU: 967.298, 0.00297113/step Wall: 967.298, 0.00297113/step, 3.85917 hours remaining, 206.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 324000 720.7366 2085.7077 1939.9764 111.7875 -206012.1528 17807.2575 0.0000 0.0000 34430.9479 -148915.7392 300.6940 -183346.6871 -148815.7937 300.3416 105.3844 139.1980 557654.4986 -1.5931 -1.5072 PRESSURE: 324200 78.4927 -28.6218 133.353 -28.6217 106.742 -20.0407 133.352 -20.0411 -121.059 GPRESSURE: 324200 90.543 -75.9201 132.456 -1.88662 96.2988 -59.2078 116.186 -5.17705 -10.8246 PRESSAVG: 324200 9.66522 -34.1397 -8.71035 -34.1397 -63.9239 30.7588 -8.71037 30.7588 48.0037 GPRESSAVG: 324200 10.4449 -35.5957 -6.84929 -33.4949 -64.5177 31.1321 -10.697 28.7349 47.8854 TIMING: 324200 CPU: 967.891, 0.0029681/step Wall: 967.891, 0.0029681/step, 3.85507 hours remaining, 206.785156 MB of memory in use. ENERGY: 324200 737.7976 2097.0577 1937.8525 123.2669 -205958.8552 17700.7062 0.0000 0.0000 34314.6085 -149047.5658 299.6780 -183362.1742 -148948.4058 299.7090 21.3921 58.6724 557068.0229 -2.0850 -2.0624 LDB: ============= START OF LOAD BALANCING ============== 971.441 LDB: ============== END OF LOAD BALANCING =============== 971.441 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 971.442 LDB: ============= START OF LOAD BALANCING ============== 971.747 LDB: Largest compute 4795 load 0.028152 is 23.8% of average load 0.118092 LDB: Average compute 0.001722 is 1.5% of average load 0.118092 LDB: TIME 971.749 LOAD: AVG 0.118092 MAX 0.209659 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.23 MB LDB: TIME 971.749 LOAD: AVG 0.118092 MAX 0.209659 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: TIME 971.749 LOAD: AVG 0.118092 MAX 0.209659 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 971.751 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 971.755 PRESSURE: 324400 -163.214 12.0093 -4.70262 12.01 24.6326 75.8969 -4.70348 75.8973 -79.489 GPRESSURE: 324400 -163.178 74.1852 -23.3012 -44.7824 97.452 114.907 71.8263 50.5601 -56.6427 PRESSAVG: 324400 -25.3798 -33.6898 -27.4229 -33.6897 53.512 -7.02786 -27.4231 -7.02779 10.5289 GPRESSAVG: 324400 -24.7323 -30.9021 -27.6239 -34.3341 54.4873 -6.70676 -27.8516 -5.16123 8.91274 TIMING: 324400 CPU: 968.505, 0.00306938/step Wall: 968.505, 0.00306938/step, 3.98644 hours remaining, 206.976562 MB of memory in use. ENERGY: 324400 721.4116 2025.0395 1932.7013 128.0607 -205883.4164 17757.6431 0.0000 0.0000 34297.5267 -149021.0335 299.5288 -183318.5602 -148924.2229 299.8104 -72.6901 -40.7894 558124.0656 12.8870 12.8892 PRESSURE: 324600 -19.6999 238.291 98.4122 238.292 -88.0736 -119.261 98.4112 -119.261 -114.943 GPRESSURE: 324600 -19.2361 352.388 87.0307 201.654 -14.593 -147.393 125.168 -155.337 -89.9006 PRESSAVG: 324600 28.5015 -6.06071 -35.2034 -6.06072 -33.7388 12.6404 -35.2034 12.6404 -37.2153 GPRESSAVG: 324600 28.7502 -6.24324 -36.1609 -6.8534 -34.2654 12.4043 -33.8735 11.661 -37.0499 TIMING: 324600 CPU: 969.11, 0.00302483/step Wall: 969.11, 0.00302483/step, 3.92842 hours remaining, 207.175781 MB of memory in use. ENERGY: 324600 702.5891 2124.1714 1946.7326 110.9794 -205999.1675 17642.0375 0.0000 0.0000 34299.2180 -149173.4397 299.5436 -183472.6576 -149078.3726 299.7123 -74.2389 -41.2432 558193.7667 -14.1509 -14.1884 PRESSURE: 324800 16.613 -105.996 -60.9136 -105.997 59.5623 22.9347 -60.913 22.9352 150.558 GPRESSURE: 324800 60.5158 -33.2668 -77.717 -159.752 140.848 25.017 -10.5998 -21.5542 121.331 PRESSAVG: 324800 84.5676 49.7234 -38.9772 49.7234 -14.1958 -25.8436 -38.9772 -25.8436 1.50774 GPRESSAVG: 324800 83.7391 48.4604 -37.391 49.7836 -13.8987 -25.3095 -40.811 -26.1368 2.43327 TIMING: 324800 CPU: 969.712, 0.00300969/step Wall: 969.712, 0.00300969/step, 3.90858 hours remaining, 207.175781 MB of memory in use. ENERGY: 324800 745.0574 2161.3641 1937.0901 106.1583 -206469.6893 17969.2862 0.0000 0.0000 34360.3959 -149190.3373 300.0779 -183550.7331 -149092.9872 299.1873 75.5777 107.5648 557828.8777 23.9598 24.0912 PRESSURE: 325000 -76.591 64.8992 -37.0342 64.8995 -136.766 -81.8875 -37.0334 -81.887 -89.0434 GPRESSURE: 325000 -20.589 79.0501 -3.86358 97.8374 -148.765 -80.7521 -77.0792 -42.73 -54.456 PRESSAVG: 325000 3.83194 -29.0941 -55.68 -29.0941 -19.8578 29.7586 -55.68 29.7586 22.5984 GPRESSAVG: 325000 4.89665 -27.0754 -56.4347 -29.595 -20.2905 29.7331 -55.2095 30.9813 22.2668 TIMING: 325000 CPU: 970.309, 0.00298497/step Wall: 970.309, 0.00298497/step, 3.87632 hours remaining, 207.175781 MB of memory in use. ENERGY: 325000 799.0806 2086.1642 1933.1646 103.0979 -206053.9546 17842.1220 0.0000 0.0000 34056.2511 -149234.0743 297.4217 -183290.3254 -149137.3732 299.1619 -100.8001 -74.6033 558821.3633 2.1909 2.2910 PRESSURE: 325200 -70.8288 5.60556 92.8861 5.60396 -21.7004 -22.4596 92.8855 -22.4577 43.2898 GPRESSURE: 325200 -44.955 -58.8262 30.9212 20.463 34.8023 41.7841 9.84681 -3.03104 61.4823 PRESSAVG: 325200 2.47093 3.7175 -4.85432 3.71759 -46.031 -13.6647 -4.85434 -13.6648 4.0678 GPRESSAVG: 325200 2.79405 0.492991 -5.09636 3.76011 -46.519 -13.1289 -4.07 -16.1915 4.50466 TIMING: 325200 CPU: 970.903, 0.00297008/step Wall: 970.903, 0.00297008/step, 3.85681 hours remaining, 207.175781 MB of memory in use. ENERGY: 325200 756.6289 2050.3109 1915.3772 119.0398 -205790.3084 17636.3930 0.0000 0.0000 34278.1679 -149034.3908 299.3598 -183312.5587 -148939.4834 299.4160 -16.4132 17.1099 556717.7248 -13.1641 -13.0734 PRESSURE: 325400 33.2233 -72.4557 -21.0723 -72.4569 99.3218 -140.138 -21.0721 -140.138 223.454 GPRESSURE: 325400 62.3075 -96.1201 36.4583 -46.8371 72.7839 -148.048 41.8666 -162.798 315.269 PRESSAVG: 325400 10.9553 -5.62163 -5.07987 -5.62166 -16.76 -57.7334 -5.07975 -57.7335 36.3932 GPRESSAVG: 325400 10.3414 -3.13026 -4.14019 -6.66261 -16.2394 -59.0001 -4.56341 -56.4952 36.4619 TIMING: 325400 CPU: 971.499, 0.0029809/step Wall: 971.499, 0.0029809/step, 3.8707 hours remaining, 207.175781 MB of memory in use. ENERGY: 325400 752.0654 2035.6342 1938.8667 124.7807 -206287.1297 17911.2243 0.0000 0.0000 34369.8070 -149154.7514 300.1601 -183524.5584 -149059.0911 299.3581 118.6665 150.1203 556173.0142 10.1962 10.1880 PRESSURE: 325600 44.5193 79.0099 -100.622 79.01 171.917 8.75944 -100.622 8.75945 188.539 GPRESSURE: 325600 48.581 38.0374 -49.5623 121.431 170.196 -74.7955 -88.3687 32.5647 295.676 PRESSAVG: 325600 -13.6178 19.4731 40.4559 19.4732 -7.76375 -20.7678 40.456 -20.7679 -12.5504 GPRESSAVG: 325600 -14.5569 17.4723 38.1492 21.7425 -7.28613 -20.3008 40.3156 -22.7949 -12.4002 TIMING: 325600 CPU: 972.097, 0.00298571/step Wall: 972.097, 0.00298571/step, 3.87678 hours remaining, 207.175781 MB of memory in use. ENERGY: 325600 733.1603 2036.0643 1945.0357 116.8907 -206069.8800 17986.1065 0.0000 0.0000 34157.7854 -149094.8371 298.3084 -183252.6225 -149003.1527 299.0140 134.9915 171.4844 557628.4304 -11.3106 -11.4144 PRESSURE: 325800 -153.033 139.561 87.1651 139.562 -360.532 -13.7088 87.1659 -13.7106 -137.289 GPRESSURE: 325800 -125.262 109.27 98.2352 103.054 -294.954 87.124 -48.1767 53.8761 -136.068 PRESSAVG: 325800 39.6471 30.214 -42.1671 30.214 7.78697 -30.119 -42.1672 -30.1191 -44.2936 GPRESSAVG: 325800 41.3519 30.3548 -41.7745 31.8368 6.36874 -27.0477 -43.7536 -29.4778 -45.3367 TIMING: 325800 CPU: 972.69, 0.00296773/step Wall: 972.69, 0.00296773/step, 3.85326 hours remaining, 207.175781 MB of memory in use. ENERGY: 325800 819.7867 2086.6661 1945.6834 119.9518 -205875.0745 17525.3109 0.0000 0.0000 34451.6571 -148926.0185 300.8749 -183377.6756 -148821.1178 300.2111 -216.9514 -185.4280 556806.5619 1.0468 0.7947 PRESSURE: 326000 133.911 85.7484 -42.9701 85.7498 -232.637 -12.5016 -42.9723 -12.5003 136.581 GPRESSURE: 326000 206.777 54.441 -56.0852 77.7302 -224.942 -35.1621 1.02143 5.784 139.082 PRESSAVG: 326000 -4.16726 39.2675 1.26805 39.2674 -5.87353 -24.9891 1.26816 -24.989 14.6232 GPRESSAVG: 326000 -4.72773 40.8306 1.02254 36.3588 -5.85576 -29.5082 2.50153 -22.5124 15.5327 TIMING: 326000 CPU: 973.284, 0.00297172/step Wall: 973.284, 0.00297172/step, 3.85828 hours remaining, 207.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 326000 752.0206 2078.6614 1953.6048 102.1005 -205929.3164 17711.8683 0.0000 0.0000 34300.6799 -149030.3809 299.5564 -183331.0609 -148913.9493 300.7263 12.6181 40.3058 556487.6694 1.5275 1.6497 PRESSURE: 326200 -325.794 -73.5201 72.7091 -73.52 -134.766 -18.4653 72.7087 -18.4659 -13.544 GPRESSURE: 326200 -287.732 -114.89 109.704 -101.085 -61.3776 -103.551 55.6718 -45.9166 -24.1376 PRESSAVG: 326200 -1.55264 2.70099 48.8274 2.70096 50.652 -20.6776 48.8275 -20.6777 -32.535 GPRESSAVG: 326200 -1.46224 2.36806 48.9416 2.22069 49.8047 -19.6242 49.7742 -22.1049 -31.6826 TIMING: 326200 CPU: 973.879, 0.00297233/step Wall: 973.879, 0.00297233/step, 3.8589 hours remaining, 207.175781 MB of memory in use. ENERGY: 326200 773.7867 2061.5314 1932.1725 102.1676 -205620.5415 17496.5899 0.0000 0.0000 34298.6117 -148955.6818 299.5383 -183254.2934 -148862.3618 299.7215 -158.0346 -124.4156 557450.3115 5.5215 5.5533 PRESSURE: 326400 446.107 -57.496 -134.336 -57.496 -113.164 -93.8991 -134.336 -93.9008 117.783 GPRESSURE: 326400 459.965 -74.9971 -111.001 -131.427 -38.6817 -116.833 -103.288 9.48494 136.299 PRESSAVG: 326400 -5.43306 -4.23301 48.0942 -4.23298 21.4489 -3.36458 48.0943 -3.3647 10.4084 GPRESSAVG: 326400 -5.44763 -6.45412 46.8691 -3.26025 21.758 -1.52778 47.4663 -3.09584 9.92223 TIMING: 326400 CPU: 974.475, 0.00298206/step Wall: 974.475, 0.00298206/step, 3.87138 hours remaining, 207.175781 MB of memory in use. ENERGY: 326400 757.3164 2079.6489 1953.9019 120.7726 -206487.3130 18017.1128 0.0000 0.0000 34590.1412 -148968.4191 302.0843 -183558.5603 -148872.4595 300.6211 150.2418 185.8607 556300.9544 8.8081 8.7442 PRESSURE: 326600 -79.8606 -101.919 -107.978 -101.918 -57.2315 91.8289 -107.978 91.8283 -184.822 GPRESSURE: 326600 -38.0515 -68.8012 -104.267 -25.3542 -30.2379 -38.3566 -145.266 140.327 -160.961 PRESSAVG: 326600 1.61264 -17.5697 31.3873 -17.5697 3.02921 -14.0464 31.3873 -14.0464 37.5863 GPRESSAVG: 326600 1.82559 -16.142 32.2516 -19.7743 3.59062 -13.5989 31.3395 -15.8249 36.6538 TIMING: 326600 CPU: 975.072, 0.00298093/step Wall: 975.072, 0.00298093/step, 3.86975 hours remaining, 207.175781 MB of memory in use. ENERGY: 326600 732.0021 2084.5447 1941.2611 106.6934 -205695.4469 17505.3808 0.0000 0.0000 34195.2261 -149130.3386 298.6354 -183325.5647 -149033.1469 300.4861 -107.3046 -76.4168 557427.2148 14.0761 14.0233 PRESSURE: 326800 -207.67 200.952 8.23251 200.953 80.9765 37.0205 8.23145 37.0195 24.5147 GPRESSURE: 326800 -129.15 145.057 21.3496 248.875 80.2172 19.3475 -6.77512 129.33 56.2566 PRESSAVG: 326800 -1.3367 48.1146 43.9882 48.1145 41.519 15.5989 43.9882 15.599 -32.6564 GPRESSAVG: 326800 -0.844308 48.8288 43.0389 49.3978 41.7212 12.7493 45.1664 17.6625 -32.9169 TIMING: 326800 CPU: 975.666, 0.00297427/step Wall: 975.666, 0.00297427/step, 3.86093 hours remaining, 207.175781 MB of memory in use. ENERGY: 326800 741.0013 2113.6657 1926.1730 104.3382 -206127.9764 17740.5324 0.0000 0.0000 34223.2753 -149278.9906 298.8804 -183502.2658 -149183.4003 298.8157 -34.0596 2.4412 556497.3952 2.5086 2.6533 PRESSURE: 327000 125.834 -109.601 -70.601 -109.602 -72.6503 199.882 -70.6018 199.883 -278.107 GPRESSURE: 327000 182.741 -125.799 -101.255 -26.2142 -20.2167 212.016 -82.1709 137.394 -299.488 PRESSAVG: 327000 8.67418 50.7616 9.50782 50.7616 36.812 -10.3475 9.50787 -10.3473 -37.1985 GPRESSAVG: 327000 8.58576 50.1448 9.72025 51.4245 36.7925 -7.56727 9.46732 -11.0408 -36.4365 TIMING: 327000 CPU: 976.26, 0.00296918/step Wall: 976.26, 0.00296918/step, 3.85416 hours remaining, 207.175781 MB of memory in use. ENERGY: 327000 749.5385 2083.3427 1923.1230 100.0678 -206034.2297 17677.6092 0.0000 0.0000 34284.9768 -149215.5716 299.4192 -183500.5484 -149119.7961 299.7893 -74.9744 -45.6545 555887.8705 2.7626 2.9806 PRESSURE: 327200 117.496 50.4784 120.867 50.4785 101.057 -177.374 120.867 -177.376 -38.0394 GPRESSURE: 327200 99.852 -24.7395 107.791 65.7034 157.537 -229.404 104.875 -76.932 18.1641 PRESSAVG: 327200 -21.5788 13.7681 -13.0048 13.7681 24.614 -16.8016 -13.0049 -16.8016 -17.1103 GPRESSAVG: 327200 -22.5999 12.8456 -11.2362 14.3854 24.6261 -18.4346 -16.0884 -14.8677 -16.506 TIMING: 327200 CPU: 976.858, 0.00298908/step Wall: 976.858, 0.00298908/step, 3.87983 hours remaining, 207.175781 MB of memory in use. ENERGY: 327200 742.9435 2059.8340 1934.7869 116.2135 -206051.7849 17742.0223 0.0000 0.0000 34349.2830 -149106.7018 299.9808 -183455.9848 -149004.3320 299.4682 60.1713 91.8511 554472.6399 -4.6917 -4.8266 PRESSURE: 327400 -9.25885 -107.856 -100.456 -107.857 216.311 113.415 -100.457 113.413 -61.5849 GPRESSURE: 327400 33.6506 -35.8628 -129.494 -59.8005 228.19 131.497 -50.4146 100.419 -26.4517 PRESSAVG: 327400 61.1522 9.06225 18.6959 9.06224 -37.2265 -14.1048 18.6959 -14.1048 -8.25145 GPRESSAVG: 327400 62.5471 9.85189 18.3542 8.93364 -37.539 -14.3635 20.4765 -13.115 -9.45331 TIMING: 327400 CPU: 977.463, 0.00302515/step Wall: 977.463, 0.00302515/step, 3.92648 hours remaining, 207.175781 MB of memory in use. ENERGY: 327400 772.4083 2070.3983 1944.5476 110.6897 -206090.6375 17845.0212 0.0000 0.0000 34358.9841 -148988.5883 300.0656 -183347.5724 -148898.7408 299.8797 48.4889 78.4629 556002.9676 5.2248 5.1849 PRESSURE: 327600 -27.8063 36.6966 79.1558 36.696 164.252 -159.196 79.156 -159.196 116.619 GPRESSURE: 327600 48.8999 23.1645 102.726 45.6001 195.461 -120.526 129.459 -157.058 109.212 PRESSAVG: 327600 45.8648 35.9354 -2.31931 35.9354 22.1249 25.4941 -2.31926 25.4941 -49.9013 GPRESSAVG: 327600 45.1022 34.9309 -2.59553 35.9403 21.8055 25.9739 -2.82148 23.7372 -48.5866 TIMING: 327600 CPU: 978.061, 0.00299/step Wall: 978.061, 0.00299/step, 3.88069 hours remaining, 207.175781 MB of memory in use. ENERGY: 327600 745.1980 2105.0594 1924.4992 111.2656 -205887.4311 17582.7598 0.0000 0.0000 34396.8851 -149021.7638 300.3966 -183418.6489 -148923.2147 300.0406 84.3550 117.8576 557811.7540 6.0295 6.1070 PRESSURE: 327800 -64.6168 -17.5103 37.1436 -17.5107 -193.982 3.06667 37.143 3.06559 -136.871 GPRESSURE: 327800 -78.4848 -70.1986 15.0453 15.7389 -119.679 21.5113 29.6248 -4.89386 -108.557 PRESSAVG: 327800 -14.1287 -16.1245 31.9695 -16.1246 -20.5893 15.5101 31.9696 15.5101 -8.01885 GPRESSAVG: 327800 -12.8938 -13.8644 29.8618 -17.2448 -19.8361 16.783 33.2008 17.0467 -9.52677 TIMING: 327800 CPU: 978.66, 0.00299503/step Wall: 978.66, 0.00299503/step, 3.88706 hours remaining, 207.175781 MB of memory in use. ENERGY: 327800 767.7502 2096.6036 1922.3243 116.4147 -205745.4245 17486.4294 0.0000 0.0000 34195.1044 -149160.7979 298.6344 -183355.9022 -149063.2385 299.5086 -131.8235 -102.2403 557600.7768 -14.2456 -14.0856 PRESSURE: 328000 -181.649 316.947 -108.937 316.947 -362.631 -51.727 -108.938 -51.7259 -98.5776 GPRESSURE: 328000 -173.8 242.095 -103.361 306.6 -378.146 5.04533 -89.6789 -126.839 1.80882 PRESSAVG: 328000 18.7374 4.20149 -23.8427 4.2015 -25.9788 3.08301 -23.8426 3.08308 -47.6681 GPRESSAVG: 328000 18.0413 2.25908 -24.0623 4.28741 -27.2774 1.66466 -23.8943 0.0590408 -45.6021 TIMING: 328000 CPU: 979.257, 0.00298341/step Wall: 979.257, 0.00298341/step, 3.8718 hours remaining, 207.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 328000 743.5781 2056.1857 1938.4564 108.1179 -205854.4245 17433.5022 0.0000 0.0000 34297.8697 -149276.7145 299.5318 -183574.5842 -149176.9893 298.5304 -214.2857 -183.3792 557889.9269 -18.3032 -18.2794 PRESSURE: 328200 -56.323 138.362 39.5468 138.362 77.7945 242.612 39.5459 242.61 -17.6846 GPRESSURE: 328200 -39.7983 165.86 96.8102 123.24 110.815 292.286 3.8082 224.931 26.4615 PRESSAVG: 328200 19.0059 52.4003 12.802 52.4004 -30.1441 16.2449 12.8018 16.2449 12.1205 GPRESSAVG: 328200 18.2135 53.6295 14.9891 54.5874 -28.8155 15.2777 12.1922 17.4646 11.0727 TIMING: 328200 CPU: 979.85, 0.00296492/step Wall: 979.85, 0.00296492/step, 3.84764 hours remaining, 207.175781 MB of memory in use. ENERGY: 328200 748.1545 2090.8386 1932.4901 99.5102 -206068.6442 17633.6949 0.0000 0.0000 34237.1587 -149326.7972 299.0016 -183563.9559 -149230.5640 298.4153 1.2623 32.4928 557061.1208 0.3274 0.1569 LDB: ============= START OF LOAD BALANCING ============== 983.396 LDB: ============== END OF LOAD BALANCING =============== 983.397 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 983.398 LDB: ============= START OF LOAD BALANCING ============== 983.695 LDB: Largest compute 4795 load 0.028611 is 24.2% of average load 0.118118 LDB: Average compute 0.001731 is 1.5% of average load 0.118118 LDB: TIME 983.697 LOAD: AVG 0.118118 MAX 0.20808 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.785 MB LDB: TIME 983.698 LOAD: AVG 0.118118 MAX 0.20808 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.984 MB LDB: TIME 983.698 LOAD: AVG 0.118118 MAX 0.20808 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.984 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 983.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 983.704 PRESSURE: 328400 115.781 109.221 -90.6555 109.22 -36.7874 54.7656 -90.6555 54.764 -181.98 GPRESSURE: 328400 113.739 115.207 -124.698 85.4089 -5.5567 76.4907 -130.97 27.5726 -111.913 PRESSAVG: 328400 19.498 39.6309 -40.7545 39.6308 52.6658 33.0948 -40.7545 33.0948 -27.6889 GPRESSAVG: 328400 18.9102 41.383 -42.5471 38.0845 52.5174 35.495 -38.6815 32.412 -26.7666 TIMING: 328400 CPU: 980.454, 0.00302106/step Wall: 980.454, 0.00302106/step, 3.92033 hours remaining, 207.753906 MB of memory in use. ENERGY: 328400 738.9066 2108.5534 1909.7898 111.8964 -206496.6062 17908.1114 0.0000 0.0000 34372.7437 -149346.6048 300.1857 -183719.3485 -149236.8788 299.1701 -34.3287 -1.2437 557199.2286 14.8250 14.8870 PRESSURE: 328600 -100.325 -12.77 -38.9187 -12.7704 -167.095 101.213 -38.9185 101.213 -188.413 GPRESSURE: 328600 -65.5298 -7.91595 5.5504 23.3665 -179.132 82.4411 -82.1316 147.401 -104.376 PRESSAVG: 328600 99.5497 48.4815 46.3963 48.4815 -48.2069 12.3587 46.3963 12.3586 -67.1244 GPRESSAVG: 328600 100.03 45.9245 47.0276 50.4783 -48.0095 9.9688 45.2636 13.1852 -67.796 TIMING: 328600 CPU: 981.043, 0.00294623/step Wall: 981.043, 0.00294623/step, 3.82306 hours remaining, 207.753906 MB of memory in use. ENERGY: 328600 750.8474 2135.1129 1960.7580 119.8608 -206042.2641 17523.2963 0.0000 0.0000 34232.4399 -149319.9487 298.9604 -183552.3886 -149225.7826 298.8876 -151.9445 -116.3461 557604.6161 -5.2605 -5.2585 PRESSURE: 328800 60.9945 28.2083 68.7353 28.2085 -4.82905 156.319 68.7343 156.32 50.026 GPRESSURE: 328800 145.541 53.2287 88.7093 -21.0343 6.92398 175.271 -13.5572 107.401 51.0082 PRESSAVG: 328800 51.1022 26.4305 -6.24066 26.4306 -104.748 35.7715 -6.24066 35.7715 63.5211 GPRESSAVG: 328800 51.3473 26.7607 -6.22403 24.2909 -105.027 35.5061 -6.9938 33.9213 63.3397 TIMING: 328800 CPU: 981.636, 0.00296634/step Wall: 981.636, 0.00296634/step, 3.84899 hours remaining, 207.753906 MB of memory in use. ENERGY: 328800 733.2848 2099.7090 1910.6719 104.4656 -206426.4174 17959.0850 0.0000 0.0000 34080.6903 -149538.5108 297.6351 -183619.2011 -149447.0157 298.6135 35.3971 67.8245 558332.5039 3.2918 3.2201 PRESSURE: 329000 201.967 -5.1171 -130.951 -5.11755 -339.06 -115.67 -130.951 -115.67 68.0399 GPRESSURE: 329000 188.141 -0.90431 -54.8306 -0.85987 -311.835 -152.143 -109.902 -193.527 151.332 PRESSAVG: 329000 -35.5395 16.0414 -11.7064 16.0414 -29.7265 54.0241 -11.7065 54.024 18.1912 GPRESSAVG: 329000 -36.0187 16.5618 -11.4667 17.0474 -28.8563 55.5674 -12.5053 56.262 17.6251 TIMING: 329000 CPU: 982.23, 0.0029678/step Wall: 982.23, 0.0029678/step, 3.85072 hours remaining, 207.753906 MB of memory in use. ENERGY: 329000 765.8654 2091.7422 1932.1858 108.2459 -206148.2120 17757.2773 0.0000 0.0000 34133.4668 -149359.4286 298.0961 -183492.8954 -149260.6557 298.8764 -23.0177 9.2127 556842.9702 -15.6916 -15.7500 PRESSURE: 329200 58.7742 -55.9985 65.3519 -55.9984 -75.1999 6.85121 65.3516 6.85054 -91.6989 GPRESSURE: 329200 127.888 -57.9261 16.7347 -64.7855 0.910993 -34.6241 41.5458 -10.3961 -140.613 PRESSAVG: 329200 42.2457 -39.3624 -26.36 -39.3624 -54.9632 -26.268 -26.3601 -26.268 34.4838 GPRESSAVG: 329200 42.5961 -37.6249 -25.993 -42.2413 -57.1749 -27.7969 -26.5077 -25.2068 35.9685 TIMING: 329200 CPU: 982.826, 0.00297791/step Wall: 982.826, 0.00297791/step, 3.86367 hours remaining, 207.753906 MB of memory in use. ENERGY: 329200 743.0055 2041.7147 1958.8381 113.7307 -206479.6699 17841.7112 0.0000 0.0000 34248.2725 -149532.3972 299.0987 -183780.6697 -149433.1782 298.7132 -36.0415 -3.9382 556014.1669 7.2554 7.1299 PRESSURE: 329400 100.018 -146.232 -34.2392 -146.231 -195.539 25.5326 -34.2394 25.5331 21.4711 GPRESSURE: 329400 136.159 -70.7489 -7.10911 -153.089 -142.195 6.01133 -54.1912 53.6837 32.0717 PRESSAVG: 329400 10.813 -10.8777 -22.7836 -10.8777 -29.4822 2.33482 -22.7837 2.33481 27.7092 GPRESSAVG: 329400 11.3805 -12.1148 -23.7469 -10.0177 -29.1081 4.00673 -20.7918 0.0330347 26.3148 TIMING: 329400 CPU: 983.423, 0.00298552/step Wall: 983.423, 0.00298552/step, 3.87339 hours remaining, 207.753906 MB of memory in use. ENERGY: 329400 766.0479 2095.9435 1942.6797 118.1385 -206766.4010 18125.6129 0.0000 0.0000 34060.1001 -149657.8785 297.4553 -183717.9785 -149555.2895 298.5970 -24.6833 8.6785 557728.9499 3.0133 2.8624 PRESSURE: 329600 212.411 -133.638 21.0401 -133.638 -43.8137 -120.442 21.0407 -120.442 -64.0819 GPRESSURE: 329600 272.275 -103.778 3.53468 -84.651 -57.4884 -77.8689 53.5553 -127.537 -27.1428 PRESSAVG: 329600 47.4707 -85.9122 26.2396 -85.9123 -37.5892 -9.89517 26.2397 -9.8952 -34.542 GPRESSAVG: 329600 46.3384 -86.9854 26.3705 -86.0132 -36.8327 -9.2297 24.7874 -9.21103 -34.8994 TIMING: 329600 CPU: 984.018, 0.00297628/step Wall: 984.018, 0.00297628/step, 3.86123 hours remaining, 207.753906 MB of memory in use. ENERGY: 329600 748.5030 2130.7912 1949.9391 111.8565 -206296.3773 17814.0930 0.0000 0.0000 34175.9180 -149365.2765 298.4668 -183541.1945 -149273.0501 298.6116 34.8383 62.5479 556354.2852 -8.2202 -8.4646 PRESSURE: 329800 0.253291 75.7898 17.055 75.7903 114.657 27.6387 17.0554 27.6389 -12.9276 GPRESSURE: 329800 -4.38755 114.277 151.558 74.6539 179.042 51.5459 -29.6105 -4.0978 25.1427 PRESSAVG: 329800 1.47754 -4.98459 61.9577 -4.9847 -33.6846 -0.303473 61.9576 -0.30352 32.2264 GPRESSAVG: 329800 1.56544 -4.79168 62.6859 -4.10758 -34.2424 -2.84973 63.1352 -0.721359 32.8587 TIMING: 329800 CPU: 984.609, 0.00295729/step Wall: 984.609, 0.00295729/step, 3.83642 hours remaining, 207.753906 MB of memory in use. ENERGY: 329800 736.7041 2067.3680 1932.5212 112.7923 -205904.3236 17645.5465 0.0000 0.0000 33972.7768 -149436.6147 296.6927 -183409.3915 -149341.8363 298.8697 33.9942 66.5989 556318.5834 0.0065 0.0606 PRESSURE: 330000 -16.1972 1.11948 -171.991 1.12036 333.321 -77.3162 -171.991 -77.3169 19.6557 GPRESSURE: 330000 61.0912 60.0905 -180.439 -0.0875386 301.237 -58.2246 -65.2439 -68.7655 61.3793 PRESSAVG: 330000 1.06757 19.7063 -1.32119 19.7063 43.7024 -54.2163 -1.32125 -54.2163 9.37986 GPRESSAVG: 330000 2.69425 20.33 -0.334044 20.9296 43.3061 -52.0028 -2.04977 -54.7794 7.74342 TIMING: 330000 CPU: 985.201, 0.00295775/step Wall: 985.201, 0.00295775/step, 3.83686 hours remaining, 207.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 330000 717.7056 2144.3225 1941.2941 109.2621 -206541.1192 18019.0779 0.0000 0.0000 34304.6078 -149304.8492 299.5907 -183609.4570 -149217.7763 299.0609 112.2599 141.2359 557223.8379 18.0500 17.9146 PRESSURE: 330200 -13.9073 -12.3847 -4.07835 -12.3856 -157.503 124.743 -4.0797 124.742 220.069 GPRESSURE: 330200 -42.4615 -8.73424 -69.5954 25.0232 -114.109 171.723 56.1067 88.7494 300.402 PRESSAVG: 330200 30.2795 -46.0219 -69.8708 -46.0219 -9.9372 -54.4251 -69.8708 -54.4252 -28.1216 GPRESSAVG: 330200 28.9994 -46.2788 -71.1903 -46.8464 -8.79694 -54.6527 -69.5649 -53.3263 -27.1268 TIMING: 330200 CPU: 985.799, 0.00299065/step Wall: 985.799, 0.00299065/step, 3.87937 hours remaining, 207.753906 MB of memory in use. ENERGY: 330200 747.4420 2071.6187 1919.4535 112.3004 -206136.8839 17685.7359 0.0000 0.0000 34290.5686 -149309.7648 299.4681 -183600.3334 -149212.1485 299.5158 16.2197 47.9437 557280.5096 -2.5931 -2.3081 PRESSURE: 330400 51.7845 -128.009 -56.0488 -128.01 -254.528 74.1575 -56.0489 74.1586 10.1437 GPRESSURE: 330400 80.4725 -114.626 3.5294 -98.4849 -205.208 21.633 -47.6722 32.7446 18.5892 PRESSAVG: 330400 -45.3307 -13.3881 4.23467 -13.3881 -1.50992 1.26126 4.23469 1.26127 42.6326 GPRESSAVG: 330400 -45.5229 -13.9699 3.56196 -13.625 -1.28712 0.475571 4.531 2.92215 42.5574 TIMING: 330400 CPU: 986.393, 0.0029705/step Wall: 986.393, 0.0029705/step, 3.85307 hours remaining, 207.753906 MB of memory in use. ENERGY: 330400 761.5998 2114.1143 1947.0482 115.8154 -206040.6304 17468.3296 0.0000 0.0000 34268.6138 -149365.1092 299.2763 -183633.7230 -149264.4299 299.3555 -64.2001 -35.3822 556200.4835 -1.4027 -1.4176 PRESSURE: 330600 78.0118 -113.51 -65.4084 -113.51 -141.114 30.1209 -65.4073 30.1208 -68.5969 GPRESSURE: 330600 102.585 -56.0953 -118.127 -107.309 -97.0844 109.567 -35.6703 73.7674 -42.8932 PRESSAVG: 330600 1.53765 9.73383 -24.1276 9.7338 16.658 28.9782 -24.1277 28.9784 -45.384 GPRESSAVG: 330600 2.08111 10.8334 -23.4245 9.29508 16.0418 31.0182 -22.6009 29.1951 -45.422 TIMING: 330600 CPU: 986.987, 0.00296697/step Wall: 986.987, 0.00296697/step, 3.84833 hours remaining, 207.753906 MB of memory in use. ENERGY: 330600 773.7745 2068.3427 1924.2778 115.6749 -205943.3657 17809.5666 0.0000 0.0000 34133.5644 -149118.1649 298.0969 -183251.7292 -149024.8108 299.4965 -43.8996 -12.4643 557099.9479 -9.0628 -9.0997 PRESSURE: 330800 -80.0076 0.364416 -15.1347 0.364233 77.9991 91.8826 -15.1348 91.8833 -28.9754 GPRESSURE: 330800 -38.5519 6.74541 32.5225 65.768 104.504 155.591 58.2494 88.7802 -13.6382 PRESSAVG: 330800 -5.69677 -11.7405 -11.5069 -11.7405 9.34215 11.1562 -11.5067 11.1563 11.6436 GPRESSAVG: 330800 -6.69029 -12.5758 -10.1064 -9.71704 9.26244 12.0737 -14.7794 10.3685 12.36 TIMING: 330800 CPU: 987.582, 0.00297762/step Wall: 987.582, 0.00297762/step, 3.86197 hours remaining, 207.753906 MB of memory in use. ENERGY: 330800 736.7475 2068.7678 1948.9579 125.5016 -205960.9439 17789.1993 0.0000 0.0000 34253.7717 -149037.9981 299.1467 -183291.7698 -148946.0949 299.4786 -10.3280 17.4378 558514.3539 5.0963 4.9774 PRESSURE: 331000 57.4627 -44.5658 85.4891 -44.5657 88.9006 -68.4507 85.4882 -68.4527 -68.6315 GPRESSURE: 331000 95.503 -34.6864 102.136 -47.6738 133.402 -106.301 37.478 23.9463 -58.1056 PRESSAVG: 331000 -3.26685 -32.1565 -90.6376 -32.1565 -16.4838 67.8381 -90.6377 67.8381 3.15142 GPRESSAVG: 331000 -2.59606 -29.6568 -90.7986 -33.6935 -16.6835 65.9573 -89.5208 69.2406 3.26403 TIMING: 331000 CPU: 988.176, 0.00297038/step Wall: 988.176, 0.00297038/step, 3.85242 hours remaining, 207.753906 MB of memory in use. ENERGY: 331000 733.3225 2065.0290 1964.0363 110.3471 -205804.3609 17738.4489 0.0000 0.0000 34268.2241 -148924.9529 299.2729 -183193.1770 -148828.4273 299.9395 25.9106 56.9330 559272.5480 -5.5331 -5.3385 PRESSURE: 331200 -153.453 -82.4773 -15.9082 -82.4763 0.380856 49.9766 -15.9081 49.9772 126.524 GPRESSURE: 331200 -100.406 -97.1044 40.6143 -66.0915 -8.14216 70.6974 -36.6821 58.6633 185.535 PRESSAVG: 331200 -4.22382 -33.0954 -2.75217 -33.0953 -30.7651 42.2431 -2.75211 42.2428 65.7939 GPRESSAVG: 331200 -3.95748 -34.1533 -0.263123 -33.4327 -30.0628 42.8876 -4.08602 40.2526 64.7948 TIMING: 331200 CPU: 988.773, 0.00298269/step Wall: 988.773, 0.00298269/step, 3.86821 hours remaining, 207.753906 MB of memory in use. ENERGY: 331200 782.7554 2056.6444 1937.8141 104.8347 -205890.6725 17800.2176 0.0000 0.0000 34199.8921 -149008.5142 298.6762 -183208.4063 -148919.2404 299.5176 -8.8495 25.6623 557643.4924 10.2683 10.2582 PRESSURE: 331400 -321.948 -86.7697 86.3759 -86.7699 -160.053 159.253 86.3768 159.252 -84.07 GPRESSURE: 331400 -279.415 -153.839 175.381 -39.9455 -115.151 177.669 33.1138 167.411 -71.5638 PRESSAVG: 331400 -25.8028 -19.6783 31.3108 -19.6783 19.4843 66.2367 31.3107 66.2368 -15.5856 GPRESSAVG: 331400 -24.6683 -21.5569 27.9522 -17.7639 18.6389 65.5348 33.4097 67.4772 -15.5601 TIMING: 331400 CPU: 989.369, 0.00298092/step Wall: 989.369, 0.00298091/step, 3.86575 hours remaining, 207.753906 MB of memory in use. ENERGY: 331400 739.8678 2133.3608 1933.0751 111.2528 -205565.0575 17568.1397 0.0000 0.0000 34192.0068 -148887.3544 298.6073 -183079.3612 -148793.3812 300.0685 -188.6905 -155.3766 559919.3858 -7.3014 -7.1965 PRESSURE: 331600 -62.5729 221.304 174.377 221.305 200.737 -27.7354 174.376 -27.7385 165.449 GPRESSURE: 331600 -14.0403 248.347 215.827 215.321 242.232 -71.336 144.815 23.1399 188.503 PRESSAVG: 331600 -20.1505 -30.6198 12.7591 -30.6199 18.6467 25.4339 12.7592 25.434 9.78415 GPRESSAVG: 331600 -21.3601 -27.3668 13.622 -33.3555 18.5394 25.4173 11.2535 26.1588 11.089 TIMING: 331600 CPU: 989.966, 0.00298729/step Wall: 989.966, 0.00298729/step, 3.87385 hours remaining, 207.753906 MB of memory in use. ENERGY: 331600 713.3567 2078.5171 1937.9660 111.0177 -206188.1955 17940.3463 0.0000 0.0000 34313.2933 -149093.6985 299.6665 -183406.9918 -148997.6685 299.4571 101.2043 138.8984 556991.9490 2.7601 2.7561 PRESSURE: 331800 -212.379 -43.6786 -30.1804 -43.6778 -462.958 -22.3687 -30.1823 -22.3686 -63.4508 GPRESSURE: 331800 -115.863 -59.7874 -26.4547 -39.1664 -468.856 -33.2597 15.7745 -36.732 -58.9553 PRESSAVG: 331800 -25.202 -7.26697 10.2803 -7.26702 20.9211 -27.3008 10.2802 -27.3008 -7.9511 GPRESSAVG: 331800 -25.2304 -8.7336 12.344 -5.81252 21.744 -27.2573 10.4238 -27.833 -8.66958 TIMING: 331800 CPU: 990.561, 0.00297406/step Wall: 990.561, 0.00297406/step, 3.85653 hours remaining, 207.753906 MB of memory in use. ENERGY: 331800 770.2827 2068.0757 1957.9479 113.7320 -205895.3088 17493.3489 0.0000 0.0000 34484.9569 -149006.9646 301.1657 -183491.9215 -148910.0121 300.0588 -246.2627 -214.5582 558909.4317 -4.0773 -4.0520 PRESSURE: 332000 229.625 -26.3674 145.589 -26.367 105.156 -8.92042 145.589 -8.92191 6.42445 GPRESSURE: 332000 229.733 -35.0311 75.8969 39.1483 198.808 -50.0691 70.2246 104.338 5.90861 PRESSAVG: 332000 -10.8287 7.01291 43.0097 7.01297 -42.5513 -47.7145 43.0097 -47.7146 33.6504 GPRESSAVG: 332000 -10.2502 7.47605 39.9961 4.95941 -42.9564 -47.8959 45.7372 -47.3194 33.2987 TIMING: 332000 CPU: 991.154, 0.0029622/step Wall: 991.154, 0.0029622/step, 3.84098 hours remaining, 207.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 332000 735.7562 2177.5839 1928.3262 121.4208 -206395.3065 17934.5693 0.0000 0.0000 34512.5648 -148985.0854 301.4068 -183497.6501 -148888.0286 300.4830 113.7352 144.8163 556121.4352 -6.5765 -6.6360 PRESSURE: 332200 121.019 35.3757 -172.828 35.3753 280.092 -157.753 -172.828 -157.751 -355.474 GPRESSURE: 332200 77.1498 -8.9875 -146.685 -43.2542 326.765 -174.167 -196.315 -64.4411 -256.445 PRESSAVG: 332200 -32.4869 -10.8269 7.42163 -10.8268 68.975 26.8645 7.42177 26.8645 -17.7499 GPRESSAVG: 332200 -31.7722 -11.5093 7.04773 -9.42804 67.9969 27.4915 6.28007 27.0343 -17.522 TIMING: 332200 CPU: 991.744, 0.00295043/step Wall: 991.744, 0.00295043/step, 3.82556 hours remaining, 207.753906 MB of memory in use. ENERGY: 332200 739.8364 2089.3760 1963.6666 121.2018 -206034.4223 17775.4029 0.0000 0.0000 34423.1036 -148921.8350 300.6255 -183344.9386 -148833.6170 300.9246 15.2123 49.1565 556853.9809 6.2461 6.2342 LDB: ============= START OF LOAD BALANCING ============== 995.291 LDB: ============== END OF LOAD BALANCING =============== 995.291 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 995.293 LDB: ============= START OF LOAD BALANCING ============== 995.593 LDB: Largest compute 4795 load 0.029544 is 25.0% of average load 0.117957 LDB: Average compute 0.001735 is 1.5% of average load 0.117957 LDB: TIME 995.595 LOAD: AVG 0.117957 MAX 0.206228 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.781 MB LDB: TIME 995.596 LOAD: AVG 0.117957 MAX 0.206228 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.785 MB LDB: TIME 995.596 LOAD: AVG 0.117957 MAX 0.206228 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.785 MB LDB: ============== END OF LOAD BALANCING =============== 995.597 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 995.602 PRESSURE: 332400 114.668 -32.9847 -35.7397 -32.9849 104.754 111.502 -35.739 111.502 -262.007 GPRESSURE: 332400 135.222 -13.2221 -72.6086 -10.2216 119.232 82.3959 24.0587 75.124 -186.19 PRESSAVG: 332400 4.55489 -20.1126 -28.242 -20.1126 5.54121 12.1299 -28.242 12.13 -27.5527 GPRESSAVG: 332400 3.34 -21.6095 -26.2524 -19.3965 6.26474 12.211 -29.5401 10.8195 -26.9884 TIMING: 332400 CPU: 992.352, 0.00304049/step Wall: 992.352, 0.00304049/step, 3.94217 hours remaining, 207.550781 MB of memory in use. ENERGY: 332400 734.7663 2050.9004 1949.7808 108.9054 -205789.1331 17776.6291 0.0000 0.0000 34364.7685 -148803.3825 300.1161 -183168.1511 -148700.3256 301.3863 -14.1953 22.7547 557059.3717 -5.8189 -5.7946 PRESSURE: 332600 152.454 -93.5203 27.7508 -93.5203 -281.854 -66.1957 27.752 -66.1968 39.3875 GPRESSURE: 332600 167.954 -82.8426 33.7021 -126.426 -274.222 -71.1599 14.6947 -32.1411 116.857 PRESSAVG: 332600 -2.89143 22.8484 -5.30617 22.8484 -19.2217 -3.66292 -5.30622 -3.66291 15.0313 GPRESSAVG: 332600 -3.32988 24.2616 -5.52743 22.2413 -17.9765 -3.2113 -4.69628 -4.50372 13.9533 TIMING: 332600 CPU: 992.945, 0.00296669/step Wall: 992.945, 0.00296669/step, 3.84632 hours remaining, 207.550781 MB of memory in use. ENERGY: 332600 719.5109 2088.3735 1961.5815 133.9998 -206091.6767 17638.5605 0.0000 0.0000 34509.8671 -149039.7834 301.3833 -183549.6505 -148939.8520 300.7342 -30.0042 3.5298 556608.6188 -2.3606 -2.4510 PRESSURE: 332800 -220.078 -54.1871 -30.0855 -54.1862 -111.696 -156.947 -30.0865 -156.947 -149.433 GPRESSURE: 332800 -250.646 -95.4433 -1.73687 2.06708 -39.953 -161.454 -1.77547 -127.426 -93.1957 PRESSAVG: 332800 20.2591 12.6053 -60.847 12.6052 -26.3656 -22.4347 -60.847 -22.4348 -20.5807 GPRESSAVG: 332800 20.1855 14.0035 -60.4308 11.8934 -27.6514 -23.8589 -58.5201 -20.2702 -19.6229 TIMING: 332800 CPU: 993.544, 0.00299222/step Wall: 993.544, 0.00299222/step, 3.87925 hours remaining, 207.550781 MB of memory in use. ENERGY: 332800 755.4338 2113.0192 1945.1672 115.9808 -206037.9775 17569.8119 0.0000 0.0000 34462.1781 -149076.3865 300.9668 -183538.5646 -148981.0346 300.6275 -160.4025 -127.9316 557823.8279 -8.8957 -9.0296 PRESSURE: 333000 -231.473 -141.679 261.103 -141.678 -206.242 117.013 261.102 117.01 -340.643 GPRESSURE: 333000 -256.025 -122.177 215.837 -80.2657 -154.387 137.66 248.611 121.227 -261.183 PRESSAVG: 333000 -41.5025 -47.7687 -11.2519 -47.7685 65.5037 -76.2416 -11.2519 -76.2417 -33.1954 GPRESSAVG: 333000 -40.5675 -47.9786 -12.5696 -48.9746 64.2881 -75.2071 -11.2325 -77.8104 -33.0585 TIMING: 333000 CPU: 994.137, 0.00296552/step Wall: 994.137, 0.00296552/step, 3.84447 hours remaining, 207.550781 MB of memory in use. ENERGY: 333000 740.3497 2095.9146 1921.4182 109.6943 -205661.2275 17420.0517 0.0000 0.0000 34202.6603 -149171.1387 298.7003 -183373.7990 -149077.2105 299.7728 -259.4527 -223.8650 558230.4957 -3.0647 -3.1126 PRESSURE: 333200 287.379 66.142 -191.976 66.1415 34.3066 -55.5098 -191.976 -55.511 26.4508 GPRESSURE: 333200 260.469 60.9893 -108.318 31.2723 99.5225 -12.3367 -188.834 -28.3686 78.2868 PRESSAVG: 333200 -7.06285 -19.3262 -23.7196 -19.3262 -11.4764 21.6957 -23.7196 21.6958 30.7245 GPRESSAVG: 333200 -8.27451 -21.342 -24.0035 -20.0078 -10.4117 21.4693 -24.4911 23.1159 29.966 TIMING: 333200 CPU: 994.729, 0.00295916/step Wall: 994.729, 0.00295916/step, 3.83606 hours remaining, 207.550781 MB of memory in use. ENERGY: 333200 702.1926 2028.2561 1922.8675 115.1720 -206094.3046 17959.8485 0.0000 0.0000 34199.5244 -149166.4435 298.6730 -183365.9679 -149067.5710 299.0851 116.0455 146.0929 558274.1422 4.0617 3.7599 PRESSURE: 333400 -94.8574 -13.7649 11.6955 -13.7652 250.115 62.344 11.6962 62.3423 221.459 GPRESSURE: 333400 -43.9451 -127.083 -45.2724 -28.9957 217.091 19.3191 13.2535 64.3817 290.87 PRESSAVG: 333400 -77.841 -37.4401 40.8472 -37.4401 73.3248 6.81918 40.8472 6.81928 12.0497 GPRESSAVG: 333400 -77.4597 -35.8867 42.1794 -38.015 73.9303 6.79081 39.8279 9.11192 10.8649 TIMING: 333400 CPU: 995.322, 0.0029688/step Wall: 995.322, 0.0029688/step, 3.84839 hours remaining, 207.550781 MB of memory in use. ENERGY: 333400 777.3886 2074.1119 1949.1139 107.8589 -206458.0799 17910.6900 0.0000 0.0000 34336.3338 -149302.5827 299.8677 -183638.9165 -149208.0325 299.5656 125.5721 154.6720 557763.1447 2.5112 2.4452 PRESSURE: 333600 52.598 -76.1975 45.8069 -76.1979 98.9805 -19.3128 45.807 -19.3124 -89.977 GPRESSURE: 333600 57.2159 -72.0468 -11.757 -86.0136 130.44 -85.4535 32.5995 36.9108 -27.2486 PRESSAVG: 333600 35.4547 -18.8621 -13.3271 -18.8621 -0.801454 29.6646 -13.3271 29.6646 -4.55017 GPRESSAVG: 333600 35.8606 -19.7515 -13.2463 -18.4282 -1.72365 29.186 -13.9666 27.7681 -3.7064 TIMING: 333600 CPU: 995.914, 0.00295709/step Wall: 995.914, 0.00295709/step, 3.83305 hours remaining, 207.550781 MB of memory in use. ENERGY: 333600 756.4222 2097.9453 1946.1919 102.0868 -206432.3843 18044.1567 0.0000 0.0000 34212.6687 -149272.9127 298.7877 -183485.5814 -149176.3608 299.1340 20.5338 53.4690 557549.0096 10.0344 10.1435 PRESSURE: 333800 -59.8639 -16.587 15.2132 -16.5868 124.45 17.8546 15.212 17.8549 219.175 GPRESSURE: 333800 -27.773 -34.3095 -19.0591 31.5849 178.77 34.2048 1.07706 55.1002 233.558 PRESSAVG: 333800 23.1165 -10.1291 -22.8857 -10.1291 -18.8189 -27.2557 -22.8857 -27.2556 -9.61835 GPRESSAVG: 333800 21.8123 -12.146 -23.0267 -7.62733 -17.8619 -25.6006 -21.8337 -28.0576 -9.27562 TIMING: 333800 CPU: 996.506, 0.00296171/step Wall: 996.506, 0.00296171/step, 3.83887 hours remaining, 207.550781 MB of memory in use. ENERGY: 333800 753.9511 2062.5592 1938.7876 126.9961 -206217.3532 17884.9167 0.0000 0.0000 34232.3480 -149217.7943 298.9596 -183450.1423 -149122.7153 298.3313 94.5872 128.1851 557424.6309 -1.7736 -1.7751 PRESSURE: 334000 -341.729 -80.1189 -145.393 -80.1183 -172.358 205.308 -145.394 205.307 -448.782 GPRESSURE: 334000 -278.297 12.2077 -119.345 -78.3928 -158.068 251.507 -131.154 129.251 -431.157 PRESSAVG: 334000 13.8486 -7.73108 -34.8907 -7.73099 76.3648 -5.88601 -34.8908 -5.88591 -97.462 GPRESSAVG: 334000 15.6542 -8.03951 -35.6398 -8.8274 75.5994 -6.62765 -34.3334 -3.80251 -98.1847 TIMING: 334000 CPU: 997.1, 0.00297109/step Wall: 997.1, 0.00297109/step, 3.85086 hours remaining, 207.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 334000 762.7897 2077.1172 1941.4930 127.4618 -205849.2345 17329.0693 0.0000 0.0000 34256.9307 -149354.3727 299.1743 -183611.3034 -149249.3584 299.0817 -320.9564 -289.1741 558527.8431 -2.4162 -2.3104 PRESSURE: 334200 -274.402 -110.47 -76.4534 -110.469 -232.283 9.61387 -76.4533 9.61563 -204.483 GPRESSURE: 334200 -186.316 -77.0127 -73.9728 -73.3616 -231.944 -26.2479 -3.94072 51.1849 -186.509 PRESSAVG: 334200 -22.9559 -3.03062 -25.5254 -3.03057 49.2618 -10.5992 -25.5254 -10.5992 -5.88275 GPRESSAVG: 334200 -23.9322 -2.41636 -24.1644 -2.85576 50.5651 -9.6855 -25.5728 -13.5841 -5.48072 TIMING: 334200 CPU: 997.702, 0.00300843/step Wall: 997.702, 0.00300843/step, 3.89909 hours remaining, 207.753906 MB of memory in use. ENERGY: 334200 742.5212 2093.4384 1937.3167 117.3343 -205813.4408 17381.1113 0.0000 0.0000 34073.2107 -149468.5081 297.5698 -183541.7188 -149370.9792 298.2346 -237.0558 -201.5898 557871.5460 6.8077 7.0507 PRESSURE: 334400 -57.2522 -179.827 -102.575 -179.827 42.2962 119.928 -102.575 119.928 -6.62421 GPRESSURE: 334400 -55.8935 -178.12 -63.3696 -124.826 95.7903 81.2062 -98.6549 178.698 32.5439 PRESSAVG: 334400 10.2285 19.1081 -42.0543 19.1081 -11.9359 48.5212 -42.0543 48.5212 -5.14024 GPRESSAVG: 334400 10.706 18.9292 -44.1286 19.5075 -11.3287 47.6903 -40.9739 50.2281 -6.07674 TIMING: 334400 CPU: 998.301, 0.0029975/step Wall: 998.301, 0.0029975/step, 3.88476 hours remaining, 207.753906 MB of memory in use. ENERGY: 334400 726.8651 2090.7217 1921.6236 108.2415 -206101.0945 17709.9014 0.0000 0.0000 34211.2478 -149332.4933 298.7753 -183543.7411 -149238.2586 299.1873 -7.1934 24.1469 557719.8199 -2.2825 -2.2332 PRESSURE: 334600 31.4185 96.9859 152.635 96.9855 -39.4441 48.6384 152.634 48.6377 -9.89437 GPRESSURE: 334600 122.824 123.247 89.7673 61.9079 -18.005 68.2054 189.366 55.9344 -26.7214 PRESSAVG: 334600 -3.50212 20.8423 35.5817 20.8423 -43.6471 -8.96554 35.5817 -8.96558 0.816829 GPRESSAVG: 334600 -2.9883 22.0631 35.4191 20.3289 -44.5974 -9.93148 34.657 -7.76626 1.34424 TIMING: 334600 CPU: 998.897, 0.00297973/step Wall: 998.897, 0.00297973/step, 3.86156 hours remaining, 207.753906 MB of memory in use. ENERGY: 334600 709.8724 2114.1016 1911.2644 109.5457 -206499.0767 17997.1673 0.0000 0.0000 34310.4697 -149346.6557 299.6419 -183657.1255 -149248.9598 299.1094 -5.9733 26.0327 557393.2410 -15.4441 -15.4138 PRESSURE: 334800 90.4937 -38.1423 5.6318 -38.1426 -122.062 117.564 5.63232 117.564 -20.6517 GPRESSURE: 334800 160.193 -12.8685 -29.2497 -17.0109 -104.053 82.0854 95.1936 140.389 -4.79124 PRESSAVG: 334800 23.7977 11.2378 -9.6935 11.2377 -28.401 -44.4294 -9.69355 -44.4295 23.5241 GPRESSAVG: 334800 23.4223 11.1307 -9.12121 10.6542 -28.0409 -45.2995 -6.6997 -46.0418 23.4353 TIMING: 334800 CPU: 999.491, 0.00296562/step Wall: 999.491, 0.00296562/step, 3.84311 hours remaining, 207.753906 MB of memory in use. ENERGY: 334800 721.0656 2085.7850 1919.5289 107.1969 -206529.7518 17863.8577 0.0000 0.0000 34327.3240 -149504.9937 299.7891 -183832.3177 -149407.7974 299.4006 -17.4067 17.1163 555659.4516 6.3069 6.2722 PRESSURE: 335000 -55.0061 -82.1652 12.1636 -82.1645 -159.501 -236.783 12.1651 -236.782 91.0642 GPRESSURE: 335000 -1.50522 -65.345 -21.7203 -48.8769 -134.848 -225.764 47.227 -148.435 115.205 PRESSAVG: 335000 17.3815 54.1392 1.17218 54.1392 -64.0263 -4.87948 1.17211 -4.87946 41.9732 GPRESSAVG: 335000 17.9619 54.666 1.20649 54.8183 -64.6102 -4.17544 -2.02901 -4.67044 42.0813 TIMING: 335000 CPU: 1000.08, 0.00296396/step Wall: 1000.08, 0.00296396/step, 3.8408 hours remaining, 207.753906 MB of memory in use. ENERGY: 335000 792.9241 2024.7883 1923.0633 110.7418 -206577.3332 17831.4617 0.0000 0.0000 34265.7404 -149628.6137 299.2512 -183894.3541 -149530.2463 298.4318 -41.1476 -7.0494 556399.5408 -1.5572 -1.5223 PRESSURE: 335200 -63.0807 -96.2065 78.813 -96.2062 -51.1198 130.407 78.8124 130.41 26.9022 GPRESSURE: 335200 -53.5891 -90.3577 51.9851 -35.4641 28.2995 35.6999 208.64 187.236 39.3604 PRESSAVG: 335200 11.0311 -17.9352 44.9214 -17.9352 -5.01378 -18.6979 44.9212 -18.698 7.78321 GPRESSAVG: 335200 10.7833 -19.1031 44.2826 -17.1618 -4.68907 -18.793 44.4167 -19.0904 7.77179 TIMING: 335200 CPU: 1000.67, 0.00293582/step Wall: 1000.67, 0.00293582/step, 3.80417 hours remaining, 207.753906 MB of memory in use. ENERGY: 335200 739.0045 2057.4938 1956.3654 119.5803 -206453.9906 17800.0490 0.0000 0.0000 34124.8016 -149656.6959 298.0204 -183781.4976 -149559.4502 298.2444 -29.0995 4.6903 556582.8590 4.6002 4.6220 PRESSURE: 335400 77.5209 -58.5435 114.1 -58.5428 -67.1662 53.133 114.099 53.1336 39.1924 GPRESSURE: 335400 105.522 -78.8041 125.256 -46.1747 -29.8758 32.8698 84.5852 54.8677 73.583 PRESSAVG: 335400 20.1854 -47.7707 -8.79584 -47.7707 -20.7726 -4.82604 -8.7959 -4.8261 -14.7564 GPRESSAVG: 335400 20.2699 -46.4114 -7.81055 -47.4754 -22.045 -4.90339 -8.14879 -5.63219 -13.9143 TIMING: 335400 CPU: 1001.26, 0.00296407/step Wall: 1001.26, 0.00296407/step, 3.84061 hours remaining, 207.753906 MB of memory in use. ENERGY: 335400 719.9211 2055.5842 1939.6514 110.5291 -206845.1265 18230.5309 0.0000 0.0000 34129.0972 -149659.8127 298.0579 -183788.9098 -149567.4973 297.9901 16.5157 49.7431 558952.5027 -5.1145 -5.2298 PRESSURE: 335600 -212.519 138.445 40.1781 138.445 -76.5989 125.754 40.1791 125.753 -96.5539 GPRESSURE: 335600 -176.073 148.137 15.2479 97.1914 -67.0809 143.374 36.7715 38.5001 -36.2914 PRESSAVG: 335600 46.168 -0.370223 16.6135 -0.370101 -27.4678 6.56062 16.6135 6.56061 -51.1931 GPRESSAVG: 335600 45.5231 0.520241 16.1672 -2.31262 -26.5981 6.12585 15.7642 6.17629 -51.3779 TIMING: 335600 CPU: 1001.86, 0.00298298/step Wall: 1001.86, 0.00298298/step, 3.86495 hours remaining, 207.953125 MB of memory in use. ENERGY: 335600 751.6610 2129.7984 1927.5846 114.7716 -206407.7628 17680.2232 0.0000 0.0000 34159.1115 -149644.6124 298.3200 -183803.7238 -149548.3987 297.8646 -128.5573 -93.1485 558171.4784 -10.8310 -10.8176 PRESSURE: 335800 130.868 101.633 -101.215 101.634 104.09 -4.27835 -101.214 -4.27732 89.7472 GPRESSURE: 335800 180.315 -6.01524 -94.3293 130.513 106.274 -99.1898 -53.7061 22.6634 141.504 PRESSAVG: 335800 -21.4505 -12.3665 2.09518 -12.3666 52.1928 -8.01938 2.09523 -8.0194 17.3563 GPRESSAVG: 335800 -20.8212 -13.72 3.52651 -11.2983 51.9218 -7.35775 1.08568 -4.31904 16.7582 TIMING: 335800 CPU: 1002.46, 0.00298105/step Wall: 1002.46, 0.00298105/step, 3.86228 hours remaining, 207.953125 MB of memory in use. ENERGY: 335800 733.0278 2086.2060 1951.6289 118.6317 -206665.4298 17985.9075 0.0000 0.0000 34251.1810 -149538.8468 299.1241 -183790.0278 -149443.5257 298.8387 108.2349 142.6975 556285.6653 16.0329 15.9529 PRESSURE: 336000 145.784 -139.658 -11.3481 -139.658 128.11 -215.978 -11.3483 -215.98 109.545 GPRESSURE: 336000 154.284 -186.962 30.5713 -149.286 163.536 -178.62 -35.4809 -185.503 157.358 PRESSAVG: 336000 20.1914 -37.2043 45.3861 -37.2043 -4.94489 -16.9705 45.3861 -16.9705 -24.8624 GPRESSAVG: 336000 19.5312 -38.3662 43.5234 -37.2979 -5.27761 -16.1743 46.327 -19.2794 -24.492 TIMING: 336000 CPU: 1003.06, 0.00299798/step Wall: 1003.06, 0.00299798/step, 3.88406 hours remaining, 207.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 336000 702.9519 2147.1643 1930.7429 118.4575 -206537.8854 18018.0442 0.0000 0.0000 34166.1461 -149454.3786 298.3815 -183620.5247 -149355.2894 299.3115 127.8131 158.3926 556478.5614 -3.2053 -3.4128 PRESSURE: 336200 -252.194 20.9029 157.344 20.9032 -194.594 59.8918 157.343 59.8906 -169.692 GPRESSURE: 336200 -187.522 -75.72 157.759 79.9027 -197.108 109.175 115.418 36.8107 -123.661 PRESSAVG: 336200 -4.44572 4.04838 19.5294 4.04845 -14.1768 -58.8045 19.5293 -58.8044 -32.6809 GPRESSAVG: 336200 -5.24982 6.93685 20.3734 2.78394 -14.4237 -59.8291 17.8653 -57.1498 -31.5575 TIMING: 336200 CPU: 1003.65, 0.0029717/step Wall: 1003.65, 0.0029717/step, 3.84984 hours remaining, 207.953125 MB of memory in use. ENERGY: 336200 789.8037 2083.2879 1923.6743 113.2297 -205915.5370 17572.9554 0.0000 0.0000 34062.0166 -149370.5694 297.4721 -183432.5860 -149273.4012 299.5453 -205.4934 -169.4301 557714.4682 -17.1011 -17.0770 LDB: ============= START OF LOAD BALANCING ============== 1007.2 LDB: ============== END OF LOAD BALANCING =============== 1007.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1007.2 LDB: ============= START OF LOAD BALANCING ============== 1007.5 LDB: Largest compute 4795 load 0.028199 is 23.9% of average load 0.117965 LDB: Average compute 0.001735 is 1.5% of average load 0.117965 LDB: TIME 1007.5 LOAD: AVG 0.117965 MAX 0.207371 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.27 MB LDB: TIME 1007.5 LOAD: AVG 0.117965 MAX 0.207371 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.332 MB LDB: TIME 1007.5 LOAD: AVG 0.117965 MAX 0.207371 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.332 MB LDB: ============== END OF LOAD BALANCING =============== 1007.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1007.51 PRESSURE: 336400 3.29309 -10.0746 -3.41099 -10.0737 27.0762 -70.6289 -3.41203 -70.6297 16.1086 GPRESSURE: 336400 -5.6244 70.168 -89.9409 -86.4143 97.4768 -23.2542 -9.17458 -5.54731 45.1522 PRESSAVG: 336400 60.4787 -46.7598 25.0756 -46.76 -16.2698 15.003 25.0756 15.003 -50.4737 GPRESSAVG: 336400 62.1067 -48.3034 24.2853 -43.4399 -16.6634 13.9808 28.6292 15.6851 -52.5397 TIMING: 336400 CPU: 1004.26, 0.00303898/step Wall: 1004.26, 0.00303898/step, 3.93683 hours remaining, 205.757812 MB of memory in use. ENERGY: 336400 758.8274 2066.0494 1924.9985 108.8199 -206378.1176 17780.5975 0.0000 0.0000 34349.3841 -149389.4409 299.9817 -183738.8250 -149289.8750 299.0461 15.4926 45.6682 555555.2949 -2.0883 -2.3655 PRESSURE: 336600 72.7548 -79.5311 41.5849 -79.5318 75.0547 34.7218 41.5856 34.7228 -76.8997 GPRESSURE: 336600 103.878 -106.14 -14.6856 -131.929 102.383 35.4485 48.5197 109.744 -40.3608 PRESSAVG: 336600 16.4782 -37.5971 -22.4633 -37.5972 34.6903 18.2122 -22.4633 18.2122 -43.1204 GPRESSAVG: 336600 14.5033 -38.6652 -22.1562 -40.3463 35.6722 18.2892 -24.2255 15.9442 -41.8058 TIMING: 336600 CPU: 1004.85, 0.00298551/step Wall: 1004.85, 0.00298551/step, 3.8674 hours remaining, 205.757812 MB of memory in use. ENERGY: 336600 751.2456 2127.7469 1953.1511 116.1197 -206540.0448 17846.0903 0.0000 0.0000 34490.8787 -149254.8125 301.2174 -183745.6912 -149156.4700 299.5787 23.6366 55.3002 556954.5731 2.6827 2.7899 PRESSURE: 336800 -71.1811 97.5087 -116.728 97.509 -124.372 122.687 -116.73 122.689 -9.33205 GPRESSURE: 336800 -73.1597 42.1962 -97.0951 162.455 -87.8188 154.777 -36.7958 173.224 40.0152 PRESSAVG: 336800 18.4413 63.099 -19.4502 63.099 -3.01322 9.45698 -19.4501 9.45699 30.8222 GPRESSAVG: 336800 19.1297 63.4588 -19.0381 62.8618 -3.0166 12.406 -18.3488 9.5366 30.3559 TIMING: 336800 CPU: 1005.45, 0.00298182/step Wall: 1005.45, 0.00298182/step, 3.86245 hours remaining, 205.757812 MB of memory in use. ENERGY: 336800 732.1294 2089.6991 1950.4646 117.6037 -206058.1619 17571.7470 0.0000 0.0000 34214.9224 -149381.5957 298.8074 -183596.5181 -149285.2728 299.9400 -68.2951 -40.3211 555778.1120 15.4168 15.4897 PRESSURE: 337000 232.512 18.7617 -48.1466 18.7606 258.707 -1.17518 -48.1463 -1.17271 300.428 GPRESSURE: 337000 203.323 56.5151 -87.4147 43.5639 356.239 -54.0482 41.3852 14.2604 337.365 PRESSAVG: 337000 -4.56658 -44.9396 14.6516 -44.9395 -36.0135 -30.803 14.6515 -30.8028 44.0707 GPRESSAVG: 337000 -3.56558 -42.9558 15.6637 -45.4479 -36.8483 -33.5 12.4318 -31.0159 43.9388 TIMING: 337000 CPU: 1006.04, 0.00295839/step Wall: 1006.04, 0.00295839/step, 3.83194 hours remaining, 205.757812 MB of memory in use. ENERGY: 337000 728.5280 2079.9614 1960.8513 104.1866 -206577.0583 18187.9893 0.0000 0.0000 34013.7981 -149501.7437 297.0510 -183515.5418 -149410.6988 299.2330 263.8823 298.9758 555584.6555 1.1635 1.1750 PRESSURE: 337200 -95.7201 -142.375 -34.5432 -142.375 -42.6462 44.0672 -34.5432 44.0671 -48.8707 GPRESSURE: 337200 -59.2949 -157.523 -113.257 -200.06 -11.366 62.7045 85.4191 52.3403 -11.3488 PRESSAVG: 337200 12.531 15.8901 -17.4632 15.8901 -40.3883 0.0454782 -17.4632 0.0454633 61.1251 GPRESSAVG: 337200 12.6289 14.7656 -20.0129 17.2116 -40.8612 2.59224 -14.2843 0.274134 61.8731 TIMING: 337200 CPU: 1006.64, 0.0029807/step Wall: 1006.64, 0.0029807/step, 3.86067 hours remaining, 205.757812 MB of memory in use. ENERGY: 337200 732.7263 2052.1936 1940.1904 113.8184 -206549.5751 17828.6217 0.0000 0.0000 34332.1152 -149549.9095 299.8309 -183882.0247 -149447.1974 298.5685 -62.4123 -27.3366 556888.4799 11.0893 11.2136 PRESSURE: 337400 124.587 -54.1592 -129.93 -54.1593 -180.566 1.74695 -129.931 1.74767 -50.6324 GPRESSURE: 337400 140.141 -85.8076 -103.055 41.8984 -157.365 -53.9653 -148.612 -10.3866 7.46654 PRESSAVG: 337400 22.0815 0.00895861 25.6335 0.00899908 -60.8164 -21.0178 25.6334 -21.0178 54.2655 GPRESSAVG: 337400 21.3463 -0.250723 28.9046 -0.417451 -60.3201 -22.5654 25.4386 -20.6052 54.7753 TIMING: 337400 CPU: 1007.23, 0.00296714/step Wall: 1007.23, 0.00296714/step, 3.84295 hours remaining, 205.757812 MB of memory in use. ENERGY: 337400 712.2691 2084.0563 1948.4851 116.0674 -206263.5043 17710.4787 0.0000 0.0000 34284.6437 -149407.5040 299.4163 -183692.1477 -149307.2723 299.2468 -35.5371 -3.2525 557191.2622 5.1769 5.2672 PRESSURE: 337600 136.244 36.3 -31.1649 36.3024 -95.2416 154.91 -31.1651 154.912 -15.4423 GPRESSURE: 337600 192.856 12.0013 -31.9584 146.449 -104.124 186.673 -40.7788 98.0911 44.3273 PRESSAVG: 337600 10.4525 -31.1635 39.4239 -31.1633 -51.6909 77.7002 39.4241 77.7004 43.7292 GPRESSAVG: 337600 10.327 -31.5308 36.924 -30.6036 -51.6767 77.7154 39.2584 78.5069 42.9954 TIMING: 337600 CPU: 1007.83, 0.00299858/step Wall: 1007.83, 0.00299858/step, 3.8835 hours remaining, 205.757812 MB of memory in use. ENERGY: 337600 762.0622 2068.0605 1961.0098 125.0915 -206404.3228 17910.3544 0.0000 0.0000 34195.7115 -149382.0330 298.6397 -183577.7445 -149287.0525 299.1626 8.5200 44.3531 557586.1753 0.8303 0.5486 PRESSURE: 337800 -119.608 74.9777 107.7 74.9777 113.59 171.013 107.7 171.016 20.799 GPRESSURE: 337800 -47.7182 61.6282 120.266 71.6763 102.679 87.5387 124.442 183.894 56.9967 PRESSAVG: 337800 21.4517 11.3725 4.45913 11.3727 -11.7628 99.0632 4.45916 99.0632 40.1575 GPRESSAVG: 337800 19.7766 11.4301 3.98945 10.359 -11.1494 98.5825 6.36097 99.1737 41.2253 TIMING: 337800 CPU: 1008.43, 0.0029909/step Wall: 1008.43, 0.0029909/step, 3.87339 hours remaining, 205.757812 MB of memory in use. ENERGY: 337800 770.9828 2054.8108 1958.4128 119.4990 -206530.2769 17941.4996 0.0000 0.0000 34285.8004 -149399.2714 299.4264 -183685.0718 -149295.9491 298.8695 4.9269 37.3193 555385.2162 16.6155 16.6175 PRESSURE: 338000 11.7228 137.978 -9.46609 137.979 -49.8194 -103.461 -9.46284 -103.46 -179.247 GPRESSURE: 338000 91.2445 146.074 -13.5544 122.911 -125.554 -25.5779 -47.0347 -176.552 -96.1773 PRESSAVG: 338000 30.2526 2.70444 0.326982 2.7045 -32.6112 15.2301 0.327018 15.2301 15.2766 GPRESSAVG: 338000 32.1778 3.97297 0.415896 1.66054 -33.0763 15.5285 -1.32311 14.6732 13.9785 TIMING: 338000 CPU: 1009.02, 0.00296469/step Wall: 1009.02, 0.00296469/step, 3.83927 hours remaining, 205.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 338000 742.7071 2105.4183 1933.3437 104.3266 -206043.8679 17411.6942 0.0000 0.0000 34291.8649 -149454.5132 299.4794 -183746.3781 -149352.9389 299.2598 -72.4479 -43.4956 554186.7841 4.3060 4.3600 PRESSURE: 338200 88.1899 46.982 -200.975 46.9824 139.136 16.9261 -200.972 16.9282 8.96977 GPRESSURE: 338200 115.986 57.0337 -179.588 57.674 176.758 78.6124 -170.508 -29.737 53.1925 PRESSAVG: 338200 -23.9486 -21.7503 36.7606 -21.7502 51.8795 -17.748 36.7606 -17.7479 -16.9079 GPRESSAVG: 338200 -25.3677 -20.6038 38.1737 -19.0232 52.257 -18.1532 34.9138 -19.2457 -15.6497 TIMING: 338200 CPU: 1009.62, 0.00298143/step Wall: 1009.62, 0.00298143/step, 3.86079 hours remaining, 205.757812 MB of memory in use. ENERGY: 338200 732.2600 2065.9744 1934.6308 103.4011 -206467.4776 17956.1192 0.0000 0.0000 34158.1689 -149516.9232 298.3118 -183675.0921 -149413.7004 299.6011 78.7652 115.3120 556801.5082 3.6743 3.7465 PRESSURE: 338400 306.408 30.2721 -33.032 30.272 -93.616 79.0415 -33.0318 79.0413 66.4006 GPRESSURE: 338400 301.309 -27.3883 2.36997 98.0497 -28.2671 46.1899 -108.312 67.2478 107.639 PRESSAVG: 338400 3.63576 -68.2027 68.28 -68.2027 12.9761 -41.5787 68.28 -41.5787 18.9132 GPRESSAVG: 338400 4.59635 -71.7375 68.5493 -67.4022 12.5233 -41.2968 69.0307 -39.8985 18.2531 TIMING: 338400 CPU: 1010.22, 0.00299762/step Wall: 1010.22, 0.00299762/step, 3.88159 hours remaining, 205.757812 MB of memory in use. ENERGY: 338400 733.9874 2097.7092 1926.7045 119.5285 -206523.9196 17910.7589 0.0000 0.0000 34188.9658 -149546.2654 298.5807 -183735.2312 -149454.8908 298.5169 93.0642 126.8937 555597.7347 11.8417 11.7909 PRESSURE: 338600 57.0895 -119.828 173.789 -119.827 -122.722 2.16912 173.789 2.16901 104.155 GPRESSURE: 338600 124.862 -114.784 184.069 -113.822 -106.934 30.5279 141.225 -72.6996 128.275 PRESSAVG: 338600 -33.8168 -77.6116 13.5428 -77.6117 -15.8588 -27.7805 13.5428 -27.7805 41.7893 GPRESSAVG: 338600 -33.753 -75.97 12.7603 -80.3792 -15.7021 -30.0344 14.204 -27.4486 41.7736 TIMING: 338600 CPU: 1010.82, 0.00299841/step Wall: 1010.82, 0.00299841/step, 3.88244 hours remaining, 205.757812 MB of memory in use. ENERGY: 338600 741.2675 2071.4426 1956.6692 131.8535 -206240.6098 17747.8376 0.0000 0.0000 34250.9929 -149340.5464 299.1224 -183591.5393 -149236.1126 299.0015 12.8411 48.7345 557772.7356 -2.6288 -2.5605 PRESSURE: 338800 141.548 -8.89081 90.649 -8.89157 -13.781 -48.2387 90.6492 -48.238 -118.006 GPRESSURE: 338800 177.675 -53.5778 100.595 28.4343 44.5133 -16.0623 56.5501 -117.123 -111.251 PRESSAVG: 338800 -21.4131 -24.1515 10.7657 -24.1514 -0.855233 9.15639 10.7658 9.15638 26.751 GPRESSAVG: 338800 -21.4786 -24.2991 12.2084 -23.459 -1.57884 11.4659 7.82199 9.08509 26.6368 TIMING: 338800 CPU: 1011.42, 0.00298786/step Wall: 1011.42, 0.00298786/step, 3.86861 hours remaining, 205.757812 MB of memory in use. ENERGY: 338800 786.1941 2076.4052 1913.9081 122.1495 -206255.7262 17797.3366 0.0000 0.0000 34322.2204 -149237.5123 299.7445 -183559.7327 -149142.0707 299.6017 3.2535 36.9789 557082.9779 1.4942 1.1931 PRESSURE: 339000 -322.725 26.664 -81.1466 26.664 54.7791 86.9457 -81.1453 86.9463 50.5451 GPRESSURE: 339000 -292.291 35.8131 -211.729 -19.7017 73.4713 103.208 -16.6142 42.759 99.2246 PRESSAVG: 339000 15.2272 -8.59429 31.6494 -8.59437 3.28418 -12.3677 31.6494 -12.3677 10.4705 GPRESSAVG: 339000 15.0349 -9.24141 30.041 -7.50112 2.90619 -12.4964 32.8144 -13.2186 11.1269 TIMING: 339000 CPU: 1012.01, 0.00296985/step Wall: 1012.01, 0.00296985/step, 3.84513 hours remaining, 205.757812 MB of memory in use. ENERGY: 339000 754.6615 2143.0662 1927.7363 110.6417 -205958.3606 17589.4591 0.0000 0.0000 34275.5202 -149157.2756 299.3366 -183432.7958 -149056.8756 299.4381 -72.4668 -39.8651 558309.1190 9.6606 9.6893 PRESSURE: 339200 -35.9334 -97.4316 85.2837 -97.43 -242.839 46.2809 85.2844 46.2789 -162.322 GPRESSURE: 339200 20.6417 -135.67 133.913 -69.944 -245.274 22.5827 22.2252 36.8408 -116.836 PRESSAVG: 339200 9.29318 18.6946 7.67343 18.6947 -15.7935 -13.7939 7.67337 -13.7938 -50.5107 GPRESSAVG: 339200 8.35965 19.4104 6.57679 19.1059 -13.7166 -13.5166 10.5926 -14.3146 -50.9414 TIMING: 339200 CPU: 1012.6, 0.00297226/step Wall: 1012.6, 0.00297226/step, 3.84809 hours remaining, 205.757812 MB of memory in use. ENERGY: 339200 728.7990 2115.5631 1945.2772 115.7966 -205858.4664 17612.9639 0.0000 0.0000 34240.6268 -149099.4398 299.0319 -183340.0665 -149002.0605 299.6172 -147.0316 -113.8226 558769.1747 -19.0037 -18.7661 PRESSURE: 339400 114.516 199.768 81.804 199.768 143.947 45.1623 81.8037 45.1614 165.947 GPRESSURE: 339400 156.995 156.637 167.401 231.737 205.146 72.4167 47.2194 -32.7703 160.398 PRESSAVG: 339400 -8.8111 42.6417 11.3203 42.6417 35.0825 27.3167 11.3203 27.3165 -12.3529 GPRESSAVG: 339400 -7.17378 43.618 11.4411 39.9303 33.4315 26.8749 11.1918 28.363 -12.6175 TIMING: 339400 CPU: 1013.2, 0.00297318/step Wall: 1013.2, 0.00297318/step, 3.84911 hours remaining, 205.757812 MB of memory in use. ENERGY: 339400 721.7801 2083.2706 1925.2250 103.2446 -206430.4612 17945.9610 0.0000 0.0000 34458.7940 -149192.1859 300.9372 -183650.9799 -149105.5763 299.8063 141.4700 174.1799 557123.8331 4.6395 4.5467 PRESSURE: 339600 -10.1375 25.0845 46.0747 25.0848 235.739 121.267 46.0735 121.266 -58.9962 GPRESSURE: 339600 46.0076 111.682 3.20461 28.8372 239.933 110.387 91.764 93.6808 -32.1161 PRESSAVG: 339600 -58.8449 34.2899 -19.3945 34.2898 15.3106 38.8804 -19.3946 38.8804 15.2663 GPRESSAVG: 339600 -60.5108 34.2703 -20.2306 34.6934 15.5916 38.9143 -19.7608 38.2339 16.3507 TIMING: 339600 CPU: 1013.79, 0.00297176/step Wall: 1013.79, 0.00297176/step, 3.84711 hours remaining, 205.757812 MB of memory in use. ENERGY: 339600 742.1235 2150.0774 1930.3066 108.3272 -206354.6798 17826.3165 0.0000 0.0000 34283.3344 -149314.1941 299.4049 -183597.5285 -149216.6005 299.1314 55.5350 84.6082 556923.3450 -9.4227 -9.5228 PRESSURE: 339800 -95.1932 89.7499 -81.9511 89.749 108.093 136.586 -81.9505 136.587 -52.362 GPRESSURE: 339800 -82.9085 46.6614 -34.7042 150.508 121.391 165.788 -63.1041 106.367 11.0635 PRESSAVG: 339800 5.3852 29.5022 37.6724 29.5022 -3.82707 43.6216 37.6725 43.6216 -18.0087 GPRESSAVG: 339800 6.12767 27.3571 39.9763 30.5631 -3.28351 41.9428 36.8248 45.7601 -19.2797 TIMING: 339800 CPU: 1014.39, 0.00295748/step Wall: 1014.39, 0.00295748/step, 3.82845 hours remaining, 205.757812 MB of memory in use. ENERGY: 339800 752.1414 2090.6534 1955.0835 122.2831 -206146.4467 17639.2685 0.0000 0.0000 34202.3141 -149384.7027 298.6973 -183587.0168 -149286.7474 299.1485 -13.1540 16.5154 556245.3950 -5.4835 -5.4785 PRESSURE: 340000 58.4237 140.573 -111.111 140.573 -18.0565 -182.008 -111.112 -182.008 -86.4249 GPRESSURE: 340000 85.8034 -4.11574 -93.4995 222.101 -30.2303 -196.498 -99.7186 -146.012 -12.1544 PRESSAVG: 340000 19.1047 -3.48672 18.7737 -3.48672 -7.87543 2.74867 18.7737 2.7486 -34.3683 GPRESSAVG: 340000 18.3529 -1.14431 18.8321 -3.80786 -8.9404 4.96444 19.1775 1.05301 -33.0008 TIMING: 340000 CPU: 1014.98, 0.00298016/step Wall: 1014.98, 0.00298016/step, 3.85765 hours remaining, 205.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 340000 742.5800 2067.5351 1933.7900 122.8761 -206227.8695 17698.0991 0.0000 0.0000 34285.6351 -149377.3542 299.4250 -183662.9893 -149285.8226 299.6653 -15.3526 14.4729 554662.0456 -7.7130 -7.8627 PRESSURE: 340200 -230.961 72.382 -116.201 72.3822 -96.9559 -37.1885 -116.201 -37.1892 40.6937 GPRESSURE: 340200 -234.261 -13.0591 -77.7206 73.1198 -91.9561 -32.7784 -115.604 -88.4325 131.048 PRESSAVG: 340200 -31.0305 20.1788 -22.5549 20.1788 44.4296 -44.5279 -22.5549 -44.528 -10.1355 GPRESSAVG: 340200 -30.3933 19.1771 -23.0642 21.3703 45.2578 -44.7256 -21.1105 -45.7237 -11.5554 TIMING: 340200 CPU: 1015.58, 0.00297464/step Wall: 1015.58, 0.00297464/step, 3.85034 hours remaining, 205.757812 MB of memory in use. ENERGY: 340200 761.0899 2048.6504 1934.2040 114.4313 -205912.7095 17490.9702 0.0000 0.0000 34163.9668 -149399.3970 298.3624 -183563.3638 -149309.6560 298.8080 -95.7410 -65.0564 555939.9306 1.0878 1.1031 LDB: ============= START OF LOAD BALANCING ============== 1019.12 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1019.12 LDB: =============== DONE WITH MIGRATION ================ 1019.13 LDB: ============= START OF LOAD BALANCING ============== 1019.42 LDB: Largest compute 4795 load 0.028371 is 24.0% of average load 0.117984 LDB: Average compute 0.001734 is 1.5% of average load 0.117984 LDB: TIME 1019.42 LOAD: AVG 0.117984 MAX 0.205296 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.531 MB LDB: TIME 1019.42 LOAD: AVG 0.117984 MAX 0.205296 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.531 MB LDB: TIME 1019.42 LOAD: AVG 0.117984 MAX 0.205296 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.531 MB LDB: ============== END OF LOAD BALANCING =============== 1019.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1019.43 PRESSURE: 340400 -43.7915 117.678 72.8484 117.678 173.608 -36.4874 72.8495 -36.4866 -16.6397 GPRESSURE: 340400 10.4312 60.736 0.686208 103.508 177.746 -47.6 81.7167 -65.3314 14.3312 PRESSAVG: 340400 -22.1643 11.2781 5.81715 11.278 50.7283 14.8926 5.81714 14.8926 4.60336 GPRESSAVG: 340400 -22.2806 10.3139 4.77167 11.7899 51.1844 14.6461 6.54176 15.7838 4.75361 TIMING: 340400 CPU: 1016.18, 0.00301985/step Wall: 1016.18, 0.00301985/step, 3.9087 hours remaining, 207.242188 MB of memory in use. ENERGY: 340400 746.3377 2075.7876 1966.5142 109.4364 -206437.4060 17854.2604 0.0000 0.0000 34185.8946 -149499.1750 298.5539 -183685.0696 -149399.3226 298.5930 37.7257 67.5026 556528.5836 11.0558 11.2191 PRESSURE: 340600 484.815 112.203 58.6883 112.203 276.657 -134.71 58.6877 -134.71 74.242 GPRESSURE: 340600 455.105 134.994 40.0428 73.7104 330.176 -175.008 105.933 -177.73 145.055 PRESSAVG: 340600 51.957 -13.1884 -20.5209 -13.1883 -51.6507 2.38859 -20.5209 2.38863 73.8764 GPRESSAVG: 340600 52.2494 -13.3721 -17.6833 -12.2278 -52.078 2.85149 -21.2659 0.741629 74.3622 TIMING: 340600 CPU: 1016.77, 0.00296383/step Wall: 1016.77, 0.00296383/step, 3.83602 hours remaining, 207.441406 MB of memory in use. ENERGY: 340600 761.5264 2063.9889 1931.5913 102.2712 -207003.4258 18301.2423 0.0000 0.0000 34351.3729 -149491.4329 299.9991 -183842.8057 -149399.7490 298.7251 278.5715 310.1124 554501.5522 24.7275 24.8445 PRESSURE: 340800 -274.733 -106.246 164.022 -106.247 -193.212 -74.9279 164.021 -74.9272 -89.4682 GPRESSURE: 340800 -196.763 8.6415 106.825 -54.9401 -199.741 -21.4151 227.9 -71.6156 -53.1683 PRESSAVG: 340800 -35.924 15.7817 59.0899 15.7818 30.2511 -19.3648 59.0899 -19.3649 -29.6037 GPRESSAVG: 340800 -35.7546 18.3623 58.1517 13.507 30.0061 -21.8832 59.3241 -15.8841 -29.0276 TIMING: 340800 CPU: 1017.36, 0.00295384/step Wall: 1017.36, 0.00295384/step, 3.82292 hours remaining, 207.441406 MB of memory in use. ENERGY: 340800 750.5202 2081.7198 1948.7983 118.3657 -206042.5964 17457.5833 0.0000 0.0000 34280.3966 -149405.2125 299.3792 -183685.6091 -149312.6214 298.6817 -185.8043 -149.8910 556488.1100 -11.7588 -11.5920 PRESSURE: 341000 90.1083 -51.933 -9.17275 -51.9311 -123.056 148.547 -9.17344 148.547 -146.162 GPRESSURE: 341000 77.2193 -86.396 -76.3209 39.642 -37.4296 232.457 -0.0488592 154.276 -109.696 PRESSAVG: 341000 -23.5517 13.2362 12.4137 13.2363 26.9166 -29.735 12.4137 -29.735 -2.17971 GPRESSAVG: 341000 -23.8185 11.553 12.0517 12.5869 28.3168 -27.2964 10.9488 -31.8898 -3.52763 TIMING: 341000 CPU: 1017.95, 0.00292671/step Wall: 1017.95, 0.00292671/step, 3.78766 hours remaining, 207.441406 MB of memory in use. ENERGY: 341000 762.0650 2071.6519 1937.0995 112.1956 -206108.2529 17655.0987 0.0000 0.0000 34141.3350 -149428.8071 298.1648 -183570.1421 -149336.6793 298.5442 -59.7031 -23.3021 555792.8469 0.3951 0.3236 PRESSURE: 341200 -367.389 -3.83221 -53.6199 -3.83171 -198.594 13.8801 -53.6181 13.881 -272.572 GPRESSURE: 341200 -303.559 -4.80997 -45.5224 54.5331 -177.509 -30.5982 20.5426 18.3977 -265.805 PRESSAVG: 341200 -11.374 15.9736 -22.2028 15.9736 -2.71336 -7.18884 -22.2028 -7.18886 20.0033 GPRESSAVG: 341200 -12.2291 13.9334 -20.6831 19.992 -3.96188 -9.52061 -20.2445 -8.03338 21.4311 TIMING: 341200 CPU: 1018.54, 0.00295556/step Wall: 1018.54, 0.00295556/step, 3.82483 hours remaining, 207.441406 MB of memory in use. ENERGY: 341200 771.9063 2055.5065 1955.2240 118.6946 -206217.0435 17636.6552 0.0000 0.0000 34309.8983 -149369.1587 299.6369 -183679.0569 -149265.0862 299.2746 -279.5183 -248.9578 557014.0310 1.9720 1.7467 PRESSURE: 341400 -163.646 208.742 -79.6259 208.742 -104.622 69.9843 -79.6267 69.9843 -240.422 GPRESSURE: 341400 -106.091 110.649 19.1745 190.615 -83.4498 20.5832 -168.279 25.4004 -212.198 PRESSAVG: 341400 11.3872 -27.1262 -24.1982 -27.1262 23.87 -11.3989 -24.198 -11.3989 -56.2132 GPRESSAVG: 341400 10.834 -24.436 -24.3957 -31.704 24.2316 -7.79722 -24.3248 -10.6207 -56.1124 TIMING: 341400 CPU: 1019.13, 0.00295834/step Wall: 1019.13, 0.00295834/step, 3.82825 hours remaining, 207.441406 MB of memory in use. ENERGY: 341400 718.6031 2091.7696 1978.2212 120.5117 -206002.6008 17689.5640 0.0000 0.0000 34108.7290 -149295.2021 297.8800 -183403.9311 -149194.9899 299.0625 -169.5634 -133.9127 558957.6176 -6.9853 -7.0156 PRESSURE: 341600 -32.2164 26.2803 9.39807 26.2814 -49.4499 -74.5696 9.39804 -74.57 -40.7694 GPRESSURE: 341600 -17.3431 94.7902 46.683 -90.6306 8.70493 -78.5504 22.4413 -174.224 -17.3654 PRESSAVG: 341600 40.7041 -42.5243 12.2406 -42.5243 7.13249 5.74607 12.2407 5.74606 -28.1449 GPRESSAVG: 341600 42.3881 -41.7808 11.7531 -41.0457 6.21733 5.16053 11.7057 4.78309 -29.0444 TIMING: 341600 CPU: 1019.72, 0.00293726/step Wall: 1019.72, 0.00293726/step, 3.80081 hours remaining, 207.441406 MB of memory in use. ENERGY: 341600 752.4478 2130.4261 1946.9479 115.2178 -206763.2550 18035.2769 0.0000 0.0000 34437.7394 -149345.1991 300.7533 -183782.9385 -149244.6311 299.2681 -40.8119 -8.6678 558009.5570 6.5639 6.5204 PRESSURE: 341800 115.836 109.188 83.9914 109.188 -166.933 108.323 83.9902 108.324 -75.8636 GPRESSURE: 341800 179.411 70.9058 56.6225 221.446 -171.552 66.7867 62.2871 163.43 -32.5895 PRESSAVG: 341800 70.6521 16.1799 2.69336 16.1799 1.46772 8.92197 2.69342 8.92202 -31.171 GPRESSAVG: 341800 70.2876 17.0533 1.92444 16.3863 1.37347 8.86049 4.00313 10.4434 -30.7325 TIMING: 341800 CPU: 1020.31, 0.0029527/step Wall: 1020.31, 0.0029527/step, 3.82063 hours remaining, 207.441406 MB of memory in use. ENERGY: 341800 789.9477 2011.9656 1944.3977 123.7957 -206219.8415 17790.8991 0.0000 0.0000 34285.1271 -149273.7085 299.4205 -183558.8356 -149173.3905 299.1740 -42.3201 -8.2435 555988.2737 13.6496 13.6428 PRESSURE: 342000 -190.31 145.469 -99.2847 145.468 -14.6325 32.6666 -99.2857 32.6662 -166.14 GPRESSURE: 342000 -117.435 201.929 -173.906 95.9455 -23.6814 102.356 -44.0373 51.2272 -116.394 PRESSAVG: 342000 -49.5565 21.0967 -4.19674 21.0966 23.1164 32.3342 -4.19671 32.334 44.7093 GPRESSAVG: 342000 -48.6652 20.25 -4.03298 21.9911 22.9492 32.5961 -3.57095 30.8476 43.7513 TIMING: 342000 CPU: 1020.9, 0.00295218/step Wall: 1020.9, 0.00295218/step, 3.81979 hours remaining, 207.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 342000 727.3098 2105.5489 1975.1647 112.0759 -206028.7616 17608.3098 0.0000 0.0000 34181.6736 -149318.6789 298.5171 -183500.3525 -149225.2684 298.8040 -123.6944 -85.8369 556796.8930 6.0897 6.0118 PRESSURE: 342200 -33.673 148.941 126.151 148.941 215.856 95.3158 126.152 95.3147 14.9246 GPRESSURE: 342200 -39.9048 130.518 64.727 226.622 259.774 144.173 83.3388 43.9142 75.5071 PRESSAVG: 342200 -25.0413 6.97691 47.479 6.97695 33.371 53.7166 47.479 53.7166 -23.845 GPRESSAVG: 342200 -26.5816 9.52343 49.7432 6.44155 32.8143 52.977 45.878 57.3578 -22.8448 TIMING: 342200 CPU: 1021.49, 0.00296545/step Wall: 1021.49, 0.00296545/step, 3.8368 hours remaining, 207.441406 MB of memory in use. ENERGY: 342200 721.5627 2117.0305 1970.6212 104.3521 -206572.7518 18004.1588 0.0000 0.0000 34518.6360 -149136.3904 301.4598 -183655.0264 -149041.8457 299.2586 65.7027 98.4588 556709.9613 -5.1717 -5.5374 PRESSURE: 342400 -258.882 -105.662 115.557 -105.662 -275.036 135.276 115.557 135.274 13.3293 GPRESSURE: 342400 -173.308 -77.9128 100.596 -106.747 -324.071 148.357 89.1089 139.609 68.9751 PRESSAVG: 342400 0.0538603 -18.3702 72.985 -18.3702 16.1621 41.846 72.985 41.8461 -34.8855 GPRESSAVG: 342400 1.13995 -19.418 69.9784 -17.2436 15.8417 41.5858 74.3505 38.7746 -35.4428 TIMING: 342400 CPU: 1022.09, 0.00296504/step Wall: 1022.09, 0.00296504/step, 3.83611 hours remaining, 207.441406 MB of memory in use. ENERGY: 342400 744.5380 2075.1159 1932.2143 108.2868 -205575.3814 17453.3951 0.0000 0.0000 34268.9944 -148992.8370 299.2797 -183261.8314 -148899.2592 299.6120 -173.5293 -142.8011 559106.5379 -6.2232 -6.1537 PRESSURE: 342600 -114.116 -59.5433 211.455 -59.5433 -54.1243 -85.9836 211.455 -85.983 158.773 GPRESSURE: 342600 -111.104 -80.0662 181.129 -38.1457 -8.64603 -132.306 179.418 -99.9887 206.925 PRESSAVG: 342600 -2.60234 -21.297 5.74826 -21.2968 29.265 3.74628 5.74831 3.74614 -23.6594 GPRESSAVG: 342600 -4.16808 -22.9357 6.64575 -21.6896 30.7071 3.39811 4.1476 4.20157 -23.1781 TIMING: 342600 CPU: 1022.68, 0.00298561/step Wall: 1022.68, 0.00298561/step, 3.86255 hours remaining, 207.441406 MB of memory in use. ENERGY: 342600 779.8813 2113.1879 1960.9751 107.8973 -205771.3499 17650.1599 0.0000 0.0000 34239.2161 -148920.0325 299.0196 -183159.2485 -148826.3351 299.9470 -3.1558 29.0583 557686.3629 1.0011 1.1203 PRESSURE: 342800 175.885 -17.6915 164.784 -17.6901 -22.8934 35.3607 164.784 35.3621 70.5414 GPRESSURE: 342800 237.243 9.21703 104.553 40.3877 15.2509 95.996 105.01 -1.4791 54.2221 PRESSAVG: 342800 -21.3534 21.4943 12.2606 21.4943 -11.2909 9.65697 12.2607 9.65689 40.9455 GPRESSAVG: 342800 -19.9021 24.0958 12.7818 20.2322 -12.4844 9.94072 12.2818 12.1491 41.0776 TIMING: 342800 CPU: 1023.28, 0.0029849/step Wall: 1023.28, 0.0029849/step, 3.86147 hours remaining, 207.441406 MB of memory in use. ENERGY: 342800 735.7174 2091.2779 1910.4192 109.8244 -206048.0507 17843.4613 0.0000 0.0000 34504.1442 -148853.2062 301.3333 -183357.3505 -148752.3542 300.2236 74.5111 102.2387 556583.2228 2.7671 2.8970 PRESSURE: 343000 202.93 129.959 16.7055 129.961 -39.7354 147.671 16.706 147.671 197.347 GPRESSURE: 343000 271.789 98.3213 49.9141 164.864 -27.6824 193.19 -74.505 100.373 231.904 PRESSAVG: 343000 19.972 -33.7746 -24.8211 -33.7746 -16.2511 -3.37237 -24.8211 -3.37244 26.972 GPRESSAVG: 343000 20.7288 -34.6078 -25.0465 -34.1716 -16.6776 -4.16047 -24.4311 -3.59397 26.8301 TIMING: 343000 CPU: 1023.88, 0.00298858/step Wall: 1023.88, 0.00298858/step, 3.86606 hours remaining, 207.441406 MB of memory in use. ENERGY: 343000 728.4087 2036.0894 1926.7286 106.4518 -205910.7230 17711.6929 0.0000 0.0000 34516.5345 -148884.8170 301.4415 -183401.3516 -148785.6151 300.7852 120.1804 158.6705 556998.1672 10.2310 10.2938 PRESSURE: 343200 -20.5818 4.08328 49.0715 4.08305 -87.887 -85.4051 49.071 -85.4045 156.65 GPRESSURE: 343200 -32.483 -70.3038 -10.4028 65.3431 29.9038 -133.388 109.352 9.61634 148.162 PRESSAVG: 343200 44.2771 7.46729 -20.0927 7.46724 -5.63804 5.04023 -20.0927 5.04007 -2.56326 GPRESSAVG: 343200 43.0394 7.08396 -20.1508 8.06145 -4.76107 5.22589 -17.7787 3.33087 -2.57373 TIMING: 343200 CPU: 1024.48, 0.00299005/step Wall: 1024.48, 0.00299005/step, 3.8678 hours remaining, 207.441406 MB of memory in use. ENERGY: 343200 735.3434 2060.2967 1942.5198 100.8653 -205745.6498 17664.4750 0.0000 0.0000 34399.1994 -148842.9502 300.4168 -183242.1496 -148750.1201 300.4788 16.0603 48.5275 557353.9580 12.0253 11.9015 PRESSURE: 343400 -12.797 24.2485 -147.849 24.249 29.3199 -105.405 -147.85 -105.406 -66.3595 GPRESSURE: 343400 9.28549 92.08 -98.5583 6.5512 54.8916 -177.412 -178.551 -153.062 -20.4577 PRESSAVG: 343400 12.2358 -49.3624 -1.10741 -49.3623 -59.4482 -16.8812 -1.10734 -16.8813 32.6408 GPRESSAVG: 343400 12.8185 -50.8435 -2.29572 -48.3837 -59.0093 -16.4767 -3.36517 -18.5847 31.965 TIMING: 343400 CPU: 1025.07, 0.00298599/step Wall: 1025.07, 0.00298599/step, 3.86238 hours remaining, 207.441406 MB of memory in use. ENERGY: 343400 741.5311 2051.3839 1929.6684 116.9102 -205936.4794 17741.0646 0.0000 0.0000 34281.7344 -149074.1868 299.3909 -183355.9212 -148974.1210 300.4862 -16.6122 14.5731 558213.6015 -4.8572 -4.7419 PRESSURE: 343600 -65.8696 -95.5039 54.4172 -95.5041 21.0872 -146.765 54.4164 -146.766 -85.5061 GPRESSURE: 343600 -43.9825 -33.4152 85.5818 -184.156 136.756 -65.986 -51.616 -128.963 -130.537 PRESSAVG: 343600 9.96783 -43.2999 -57.6606 -43.2998 -18.6611 -23.6562 -57.6606 -23.6561 -23.6547 GPRESSAVG: 343600 9.2368 -42.3958 -56.2305 -44.828 -18.0698 -23.6917 -57.1434 -23.2335 -23.2539 TIMING: 343600 CPU: 1025.66, 0.00295758/step Wall: 1025.66, 0.00295758/step, 3.82546 hours remaining, 207.441406 MB of memory in use. ENERGY: 343600 769.9632 2078.8311 1939.6976 115.6592 -206184.1918 17839.0098 0.0000 0.0000 34316.5715 -149124.4594 299.6952 -183441.0308 -149026.4062 299.3222 -43.4295 -12.5878 556461.6277 -10.7827 -10.6956 PRESSURE: 343800 -260.397 -52.2632 -91.353 -52.2646 88.7916 -47.2168 -91.3534 -47.2178 -69.3245 GPRESSURE: 343800 -224.671 4.8553 -127.89 -95.0764 137.777 -106.924 -65.8752 44.4081 -57.9055 PRESSAVG: 343800 -4.23719 -12.3897 -71.3268 -12.3897 21.3388 -45.2129 -71.3268 -45.2128 -7.304 GPRESSAVG: 343800 -4.19047 -11.6058 -73.2253 -13.0603 21.1177 -45.8527 -72.4863 -43.1605 -6.55289 TIMING: 343800 CPU: 1026.26, 0.0029747/step Wall: 1026.26, 0.0029747/step, 3.84745 hours remaining, 207.441406 MB of memory in use. ENERGY: 343800 744.1515 2035.6680 1932.0473 106.1402 -205996.6641 17696.2435 0.0000 0.0000 34287.6987 -149194.7150 299.4430 -183482.4137 -149091.8058 299.7242 -80.3099 -48.2663 559452.1529 3.2659 3.4581 PRESSURE: 344000 189.545 11.2379 -53.6756 11.2384 -1.60634 128.22 -53.6751 128.221 -18.2955 GPRESSURE: 344000 197.889 -4.19017 11.3655 63.5123 21.9111 260.777 -191.784 168.914 41.2114 PRESSAVG: 344000 40.3831 -43.3935 -40.3683 -43.3935 -55.8883 24.2845 -40.3682 24.2845 -19.1159 GPRESSAVG: 344000 41.0938 -41.4729 -41.3523 -44.0974 -56.3787 25.7483 -39.4238 23.1131 -19.2294 TIMING: 344000 CPU: 1026.85, 0.00297005/step Wall: 1026.85, 0.00297005/step, 3.84127 hours remaining, 207.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 344000 729.4679 2072.9980 1936.7789 115.8549 -206298.4947 18003.2835 0.0000 0.0000 34468.0772 -148972.0342 301.0183 -183440.1114 -148871.0196 300.0211 56.5478 87.0040 559206.1331 -11.5403 -11.5048 PRESSURE: 344200 169.278 -65.0897 134.803 -65.0886 67.6735 -155.813 134.801 -155.812 -114.191 GPRESSURE: 344200 253.699 -94.0034 99.1334 19.5109 65.8121 -125.199 151.759 -150.011 -90.0178 PRESSAVG: 344200 40.4516 23.5472 7.12226 23.5473 -19.8026 29.1399 7.1223 29.1399 -26.876 GPRESSAVG: 344200 40.884 20.7335 6.69373 27.127 -20.4286 31.8854 8.90545 27.0044 -26.3454 TIMING: 344200 CPU: 1027.45, 0.0029936/step Wall: 1027.45, 0.0029936/step, 3.87156 hours remaining, 207.441406 MB of memory in use. ENERGY: 344200 710.1170 2107.9886 1907.7190 113.6253 -206131.9131 17945.8472 0.0000 0.0000 34298.2338 -149048.3823 299.5350 -183346.6161 -148950.1206 299.9200 40.9199 76.4977 556946.2803 -2.0757 -1.9633 LDB: ============= START OF LOAD BALANCING ============== 1031 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1031 LDB: =============== DONE WITH MIGRATION ================ 1031 LDB: ============= START OF LOAD BALANCING ============== 1031.3 LDB: Largest compute 4795 load 0.029616 is 25.1% of average load 0.118043 LDB: Average compute 0.001735 is 1.5% of average load 0.118043 LDB: TIME 1031.3 LOAD: AVG 0.118043 MAX 0.206472 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.984 MB LDB: TIME 1031.3 LOAD: AVG 0.118043 MAX 0.206472 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.988 MB LDB: TIME 1031.3 LOAD: AVG 0.118043 MAX 0.206472 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.988 MB LDB: ============== END OF LOAD BALANCING =============== 1031.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1031.31 PRESSURE: 344400 -115.856 -77.7243 118.089 -77.7244 47.4002 228.327 118.087 228.326 56.7605 GPRESSURE: 344400 -81.639 -121.467 54.2082 -47.0303 70.3173 164.798 83.8972 197.59 91.3982 PRESSAVG: 344400 -28.2826 -16.7936 46.6781 -16.7936 42.6214 33.6045 46.6781 33.6045 -58.9057 GPRESSAVG: 344400 -28.4769 -17.1615 48.3598 -18.7878 41.949 28.8906 45.6486 36.5162 -58.2863 TIMING: 344400 CPU: 1028.06, 0.00302606/step Wall: 1028.06, 0.00302606/step, 3.91336 hours remaining, 206.472656 MB of memory in use. ENERGY: 344400 776.5065 2132.6231 1924.5730 104.9587 -206276.8960 17725.7727 0.0000 0.0000 34616.1656 -148996.2964 302.3116 -183612.4621 -148895.9261 300.0465 -3.8984 26.6922 556372.8101 -14.8556 -14.9381 PRESSURE: 344600 -146.627 -112.249 -12.5212 -112.249 -6.36832 -70.853 -12.5207 -70.8536 -163.104 GPRESSURE: 344600 -113.237 -74.6943 -110.966 -67.6634 58.7547 -41.2047 -10.7237 46.4246 -161.251 PRESSAVG: 344600 29.5875 -38.8642 33.1367 -38.8643 -7.7672 43.054 33.1366 43.054 -6.58011 GPRESSAVG: 344600 28.505 -35.3307 32.4773 -39.3026 -6.10092 45.9222 33.7936 40.274 -6.92506 TIMING: 344600 CPU: 1028.65, 0.0029718/step Wall: 1028.65, 0.0029718/step, 3.84303 hours remaining, 206.472656 MB of memory in use. ENERGY: 344600 783.8557 2102.9065 1972.5733 104.7177 -205777.2259 17691.6765 0.0000 0.0000 34248.9655 -148872.5306 299.1047 -183121.4962 -148779.4307 300.1236 -105.3665 -71.9110 558788.0540 5.0801 5.1597 PRESSURE: 344800 214.49 -52.5746 83.0488 -52.5745 158.077 33.6273 83.0496 33.626 137.849 GPRESSURE: 344800 230.394 -113.586 -4.6331 -50.9929 197.984 44.9973 93.3893 -32.4189 187.388 PRESSAVG: 344800 6.97185 6.11087 25.4503 6.11084 21.3285 -4.18507 25.4503 -4.18515 -35.2296 GPRESSAVG: 344800 6.79258 4.18459 25.5968 7.19223 20.907 -4.58168 24.5849 -2.53225 -34.6516 TIMING: 344800 CPU: 1029.25, 0.00296481/step Wall: 1029.25, 0.00296481/step, 3.83383 hours remaining, 206.472656 MB of memory in use. ENERGY: 344800 790.1027 2123.7475 1929.3197 108.6492 -206337.6287 18077.4930 0.0000 0.0000 34578.1043 -148730.2124 301.9792 -183308.3167 -148630.4420 300.3275 170.1389 205.2554 556622.3912 -2.3097 -2.3174 PRESSURE: 345000 30.7462 45.2774 -154.041 45.2772 -122.215 -29.9993 -154.039 -29.9994 8.195 GPRESSURE: 345000 30.5326 76.8106 -195.674 38.0923 -65.6623 -1.50066 -44.1767 7.73644 49.2565 PRESSAVG: 345000 8.61532 60.0497 -25.6471 60.0497 24.5773 -17.1254 -25.6471 -17.1253 2.59493 GPRESSAVG: 345000 8.67729 58.6679 -27.0241 59.9196 24.7258 -18.4007 -22.6698 -17.9656 2.13632 TIMING: 345000 CPU: 1029.84, 0.00297704/step Wall: 1029.84, 0.00297704/step, 3.84948 hours remaining, 206.472656 MB of memory in use. ENERGY: 345000 754.3921 2103.4223 1934.3775 110.0024 -205761.5406 17645.7155 0.0000 0.0000 34307.3714 -148906.2595 299.6148 -183213.6309 -148810.9582 300.6479 -27.7578 4.7089 558717.6498 11.9292 11.8465 PRESSURE: 345200 -32.1004 173.121 159.581 173.121 -74.8447 -148.102 159.582 -148.102 -255.509 GPRESSURE: 345200 -14.0133 198.06 107.123 167.215 -41.7253 -107.989 148.229 -137.044 -203.139 PRESSAVG: 345200 40.8268 -30.9553 13.7539 -30.9553 9.50683 -22.278 13.7539 -22.278 -23.186 GPRESSAVG: 345200 41.774 -29.3776 14.5021 -31.3634 8.63989 -21.133 11.8986 -22.6507 -23.1209 TIMING: 345200 CPU: 1030.43, 0.00295806/step Wall: 1030.43, 0.00295806/step, 3.82478 hours remaining, 206.472656 MB of memory in use. ENERGY: 345200 752.8794 2113.8614 1946.8930 112.4598 -205942.0598 17665.6119 0.0000 0.0000 34419.4327 -148930.9215 300.5935 -183350.3542 -148833.2494 300.6639 -120.8180 -86.2927 558590.8369 9.0492 9.0977 PRESSURE: 345400 -371.758 -10.8025 130.759 -10.8018 -210.447 46.271 130.761 46.2704 -386.938 GPRESSURE: 345400 -316.566 14.5484 145.062 -30.5763 -201.626 86.7973 87.5548 38.1 -363.471 PRESSAVG: 345400 27.3506 -33.5204 18.6752 -33.5203 -25.5062 13.537 18.6752 13.537 27.59 GPRESSAVG: 345400 27.855 -35.2046 18.4235 -34.5084 -25.1173 11.3022 18.3365 12.2098 26.4862 TIMING: 345400 CPU: 1031.02, 0.00292868/step Wall: 1031.02, 0.00292868/step, 3.78662 hours remaining, 206.472656 MB of memory in use. ENERGY: 345400 754.7410 2089.5316 1924.7333 109.8918 -205663.5276 17450.0389 0.0000 0.0000 34342.2257 -148992.3653 299.9192 -183334.5909 -148889.1477 300.3428 -323.0476 -293.8877 560261.1388 9.8115 9.7413 PRESSURE: 345600 -46.1945 73.9102 -2.26293 73.9096 -137.161 -4.07302 -2.26288 -4.07307 -369.186 GPRESSURE: 345600 -29.8759 129.942 -11.7529 67.3781 -83.0975 4.58446 11.744 86.3271 -344.922 PRESSAVG: 345600 43.7565 16.9081 -3.77506 16.9081 -20.6254 25.7662 -3.77512 25.7661 -39.687 GPRESSAVG: 345600 43.8139 17.8402 -3.07347 15.9347 -19.9485 26.2335 -3.18469 28.6852 -40.3942 TIMING: 345600 CPU: 1031.61, 0.00294885/step Wall: 1031.61, 0.00294885/step, 3.81254 hours remaining, 206.472656 MB of memory in use. ENERGY: 345600 728.1153 2100.7556 1935.0647 106.4146 -205708.6528 17558.2484 0.0000 0.0000 34084.7872 -149195.2670 297.6709 -183280.0542 -149100.0046 299.4765 -184.1806 -152.6317 559432.6313 -5.5186 -5.5096 PRESSURE: 345800 24.2159 1.37491 -69.3206 1.37637 86.879 -107.394 -69.32 -107.395 32.7805 GPRESSURE: 345800 39.9948 -22.5627 -211.579 76.79 93.9117 -79.7921 -60.6014 -132.155 106.604 PRESSAVG: 345800 -26.5259 -27.312 -43.348 -27.3119 -8.37001 13.6449 -43.348 13.6449 -4.03384 GPRESSAVG: 345800 -26.89 -28.7985 -43.815 -26.0852 -9.17425 13.326 -44.1752 11.6055 -3.53115 TIMING: 345800 CPU: 1032.2, 0.0029638/step Wall: 1032.2, 0.0029638/step, 3.8317 hours remaining, 206.472656 MB of memory in use. ENERGY: 345800 681.1338 2088.9225 1921.9157 129.4362 -206138.4572 17823.6420 0.0000 0.0000 34406.8509 -149086.5561 300.4836 -183493.4070 -148992.1218 299.3493 47.9585 80.1702 557724.2108 -12.9766 -13.1985 PRESSURE: 346000 118.092 -64.2685 9.46286 -64.2683 17.7578 -60.5384 9.46211 -60.5391 -312.062 GPRESSURE: 346000 97.4163 -47.0356 50.5336 -25.6364 101.381 -58.1524 -44.7528 -138.477 -274.946 PRESSAVG: 346000 60.4095 38.1622 0.672529 38.1623 21.3374 30.8751 0.672591 30.8751 -20.1085 GPRESSAVG: 346000 59.7666 39.5482 1.78814 38.9586 20.7967 29.5642 0.321817 33.3609 -18.9203 TIMING: 346000 CPU: 1032.79, 0.00295227/step Wall: 1032.79, 0.00295227/step, 3.81663 hours remaining, 206.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 346000 721.1869 2096.1720 1966.1571 103.1646 -206255.4832 17905.8918 0.0000 0.0000 34452.5126 -149010.3981 300.8824 -183462.9107 -148906.2147 300.1301 -58.7373 -25.3827 558807.4094 20.5461 20.5477 PRESSURE: 346200 -156.368 -25.0298 19.046 -25.0296 -110.586 10.0693 19.0461 10.0697 -241.912 GPRESSURE: 346200 -90.6787 -56.1078 21.7994 39.5675 -114.003 61.601 33.1029 -60.7958 -190.169 PRESSAVG: 346200 0.0324138 16.0663 -13.9993 16.0663 -12.0278 31.6464 -13.9993 31.6464 39.7171 GPRESSAVG: 346200 1.4949 17.6331 -12.4066 15.823 -12.1412 33.663 -14.0563 28.7135 38.6291 TIMING: 346200 CPU: 1033.38, 0.00296329/step Wall: 1033.38, 0.0029633/step, 3.83072 hours remaining, 206.472656 MB of memory in use. ENERGY: 346200 744.6962 2087.5859 1958.1721 111.4841 -205952.2220 17707.3257 0.0000 0.0000 34225.4108 -149117.5473 298.8990 -183342.9581 -149022.5747 299.9557 -169.6221 -131.6170 557112.2022 9.2406 9.3276 PRESSURE: 346400 50.6444 -189.754 -202.497 -189.754 102.804 84.0899 -202.497 84.0916 52.5171 GPRESSURE: 346400 93.4794 -181.315 -249.484 -155.225 120.535 62.6376 -214.677 136.657 88.7847 PRESSAVG: 346400 -10.3074 -38.8033 -21.3959 -38.8032 13.8208 12.8522 -21.3959 12.8523 2.26727 GPRESSAVG: 346400 -11.0688 -39.8619 -22.3526 -39.8159 14.4277 13.4792 -22.2309 12.9093 2.30871 TIMING: 346400 CPU: 1033.97, 0.00294745/step Wall: 1033.97, 0.00294745/step, 3.81007 hours remaining, 206.472656 MB of memory in use. ENERGY: 346400 739.9735 2017.6760 1940.8214 111.5880 -205944.7247 17681.3949 0.0000 0.0000 34358.5455 -149094.7253 300.0617 -183453.2708 -149000.7427 299.4480 68.6552 100.9331 555554.7248 1.9269 1.8892 PRESSURE: 346600 -22.249 79.932 -36.4009 79.9315 43.9454 75.8345 -36.4026 75.835 102.768 GPRESSURE: 346600 37.6498 98.3702 -41.5045 52.0886 90.2387 -29.8125 -23.0608 68.6017 82.441 PRESSAVG: 346600 34.2171 -7.33772 -12.7788 -7.33771 41.6428 28.1921 -12.7788 28.1922 -1.81721 GPRESSAVG: 346600 34.2968 -8.63326 -15.3022 -6.58363 42.2868 27.5095 -9.51344 27.9755 -1.90554 TIMING: 346600 CPU: 1034.57, 0.00297214/step Wall: 1034.57, 0.00297214/step, 3.84182 hours remaining, 206.472656 MB of memory in use. ENERGY: 346600 718.1879 2087.5462 1941.1924 114.8627 -206229.0716 17839.8583 0.0000 0.0000 34339.6308 -149187.7934 299.8965 -183527.4241 -149095.1649 299.6826 41.4881 70.1098 557074.2264 24.6809 24.8927 PRESSURE: 346800 -2.45354 70.9487 148.366 70.9479 -108.834 -51.6101 148.365 -51.6093 138.665 GPRESSURE: 346800 13.7497 98.207 177.96 73.6369 -49.8598 -32.091 109.426 -132.962 173.635 PRESSAVG: 346800 -50.6532 24.614 17.5955 24.6141 16.6305 -50.6202 17.5954 -50.6203 -7.29543 GPRESSAVG: 346800 -50.2034 24.9467 21.9529 24.3325 16.8857 -52.6768 15.7347 -49.2721 -8.24564 TIMING: 346800 CPU: 1035.16, 0.00294583/step Wall: 1035.16, 0.00294583/step, 3.80765 hours remaining, 206.472656 MB of memory in use. ENERGY: 346800 729.4879 2117.7760 1916.3534 96.7694 -206067.3688 17903.8866 0.0000 0.0000 34289.7723 -149013.3232 299.4611 -183303.0955 -148916.8208 299.8555 9.1257 45.8415 557970.6438 -13.7727 -13.8544 PRESSURE: 347000 -67.6017 152.455 -4.94988 152.455 61.3468 141.852 -4.94935 141.852 17.841 GPRESSURE: 347000 -77.3671 149.207 -27.325 75.343 107.353 47.5316 0.574095 167.538 83.9632 PRESSAVG: 347000 34.1562 36.4628 43.9029 36.4628 -2.6056 -21.7342 43.9029 -21.7342 18.7767 GPRESSAVG: 347000 34.1076 34.4288 41.9497 36.7042 -4.62779 -18.458 43.9318 -23.6363 20.1863 TIMING: 347000 CPU: 1035.75, 0.00296114/step Wall: 1035.75, 0.00296114/step, 3.82727 hours remaining, 206.472656 MB of memory in use. ENERGY: 347000 711.3480 2089.5028 1947.9659 112.9143 -206130.7833 17788.5628 0.0000 0.0000 34471.4968 -149008.9928 301.0482 -183480.4896 -148905.4468 300.3642 3.8621 37.9831 556018.8752 16.7758 16.5553 PRESSURE: 347200 -246.356 67.3364 -94.2267 67.3359 -2.97729 -15.2665 -94.2267 -15.2678 -82.9122 GPRESSURE: 347200 -241.237 13.9896 10.806 87.7505 106.603 -67.1063 -127.479 92.3322 -86.5848 PRESSAVG: 347200 40.5262 -14.7208 -9.73681 -14.7209 -34.0875 -11.7025 -9.73681 -11.7025 18.859 GPRESSAVG: 347200 40.4578 -13.4571 -11.1632 -14.8421 -33.516 -11.9555 -9.60508 -10.9429 18.2736 TIMING: 347200 CPU: 1036.34, 0.0029568/step Wall: 1036.34, 0.0029568/step, 3.82151 hours remaining, 206.472656 MB of memory in use. ENERGY: 347200 721.0237 2074.0680 1915.6685 108.1687 -205563.3809 17572.8766 0.0000 0.0000 34311.5407 -148860.0347 299.6512 -183171.5754 -148761.3174 300.2682 -110.7486 -73.7394 557720.4990 8.4326 8.4051 PRESSURE: 347400 -59.2217 -121.1 -98.773 -121.101 -196.224 51.2752 -98.7725 51.276 -23.7552 GPRESSURE: 347400 -40.1316 -76.1625 -62.8174 -51.6238 -172.732 119.572 -135.735 54.3484 27.1316 PRESSAVG: 347400 -12.2979 11.4098 37.1546 11.4099 60.5117 26.9725 37.1545 26.9724 -3.35059 GPRESSAVG: 347400 -13.1661 13.5081 39.7829 9.11846 60.7329 27.1277 36.3144 27.122 -3.08287 TIMING: 347400 CPU: 1036.93, 0.00295732/step Wall: 1036.93, 0.00295732/step, 3.82201 hours remaining, 206.472656 MB of memory in use. ENERGY: 347400 787.4244 2091.6540 1943.4814 113.1600 -205888.2088 17747.6012 0.0000 0.0000 34106.9297 -149097.9581 297.8643 -183204.8878 -148997.8650 300.5700 -93.0670 -61.9106 557778.1248 14.9544 14.8280 PRESSURE: 347600 -40.5289 175.178 48.4226 175.178 109.079 -63.7063 48.4226 -63.7061 -70.6194 GPRESSURE: 347600 50.6612 142.002 103.357 82.3388 119.624 -15.8895 33.2566 -132.225 -72.5367 PRESSAVG: 347600 -36.5598 -21.897 -3.66644 -21.8969 -16.8967 -24.801 -3.66654 -24.801 41.1621 GPRESSAVG: 347600 -34.6751 -22.5452 -5.56081 -23.3422 -16.9729 -26.827 -3.31887 -23.3771 39.6947 TIMING: 347600 CPU: 1037.52, 0.00296524/step Wall: 1037.52, 0.00296524/step, 3.83208 hours remaining, 206.472656 MB of memory in use. ENERGY: 347600 767.2752 2141.6915 1924.6454 90.3514 -206438.2216 18049.9794 0.0000 0.0000 34166.4253 -149297.8534 298.3839 -183464.2786 -149205.9192 299.5066 -0.6896 32.5828 559089.0494 -4.0981 -3.9844 PRESSURE: 347800 -397.285 -59.6871 87.1527 -59.6873 -0.0796087 -142.232 87.1525 -142.232 27.7899 GPRESSURE: 347800 -383.057 -169.659 107.725 61.1224 21.7268 -74.0184 18.8792 -180.327 82.4969 PRESSAVG: 347800 -71.8645 24.0682 -25.265 24.0681 93.139 -35.6658 -25.2651 -35.6658 -41.6718 GPRESSAVG: 347800 -72.9083 22.063 -25.5942 28.2502 93.3476 -35.1134 -25.9365 -35.7449 -41.3809 TIMING: 347800 CPU: 1038.12, 0.00295268/step Wall: 1038.12, 0.00295267/step, 3.81568 hours remaining, 206.472656 MB of memory in use. ENERGY: 347800 746.3634 2128.7343 1926.9038 120.2500 -206291.4653 17849.0325 0.0000 0.0000 34282.3259 -149237.8555 299.3961 -183520.1814 -149138.8609 299.1918 -123.1914 -92.9445 558890.9805 -6.7991 -6.9805 PRESSURE: 348000 65.1729 2.76421 -93.513 2.76436 -7.15656 -305.57 -93.5131 -305.57 -123.451 GPRESSURE: 348000 115.51 -60.4184 -60.2369 58.2075 -17.9035 -374.466 -174.703 -154.981 -65.4246 PRESSAVG: 348000 42.5602 -27.876 68.6245 -27.876 31.8289 -7.26254 68.6246 -7.26249 -23.1773 GPRESSAVG: 348000 41.1057 -29.3867 70.5907 -27.0973 31.4366 -7.74218 68.2222 -8.36049 -21.4048 TIMING: 348000 CPU: 1038.7, 0.00294384/step Wall: 1038.7, 0.00294384/step, 3.80409 hours remaining, 206.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 348000 744.3618 2114.1424 1961.7132 117.0728 -206633.1583 17966.0359 0.0000 0.0000 34297.1716 -149432.6607 299.5257 -183729.8323 -149339.2543 299.0685 -21.8117 10.7275 557744.8478 17.0706 17.0458 PRESSURE: 348200 157.948 -133.203 -99.28 -133.203 207.617 -118.5 -99.2794 -118.499 115.181 GPRESSURE: 348200 218.484 -134.014 -136.447 -186.185 268.24 -167.224 -124.415 -146.211 97.5681 PRESSAVG: 348200 69.2818 -43.3562 40.8589 -43.3563 -23.9785 -14.952 40.859 -14.9519 -46.0888 GPRESSAVG: 348200 71.3031 -42.18 40.7386 -43.8542 -23.6077 -14.5387 40.6766 -14.7321 -48.198 TIMING: 348200 CPU: 1039.3, 0.00295909/step Wall: 1039.3, 0.00295909/step, 3.82364 hours remaining, 206.472656 MB of memory in use. ENERGY: 348200 722.4927 2052.3246 1925.4991 110.8920 -206528.5782 18097.9141 0.0000 0.0000 34241.6217 -149377.8340 299.0406 -183619.4557 -149279.6225 298.4215 160.2485 194.7639 555868.5162 -0.2619 -0.1676 LDB: ============= START OF LOAD BALANCING ============== 1042.84 LDB: ============== END OF LOAD BALANCING =============== 1042.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1042.85 LDB: ============= START OF LOAD BALANCING ============== 1043.14 LDB: Largest compute 4795 load 0.028349 is 24.0% of average load 0.117942 LDB: Average compute 0.001738 is 1.5% of average load 0.117942 LDB: TIME 1043.14 LOAD: AVG 0.117942 MAX 0.204577 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.984 MB LDB: TIME 1043.15 LOAD: AVG 0.117942 MAX 0.204577 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.984 MB LDB: TIME 1043.15 LOAD: AVG 0.117942 MAX 0.204577 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.984 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1043.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1043.15 PRESSURE: 348400 84.3421 -84.1897 -107.869 -84.1915 37.7071 -172.617 -107.869 -172.617 -0.0386449 GPRESSURE: 348400 113.511 -67.8146 -71.4812 -86.759 55.906 -114.281 -7.83924 -247.265 57.8386 PRESSAVG: 348400 12.8276 -55.0122 -3.95686 -55.0123 -47.8172 -21.7668 -3.9569 -21.7668 33.8865 GPRESSAVG: 348400 11.6937 -55.1371 -4.52818 -55.2904 -47.2195 -22.4782 -3.43349 -22.2194 33.9704 TIMING: 348400 CPU: 1039.9, 0.00302527/step Wall: 1039.9, 0.00302527/step, 3.90898 hours remaining, 207.753906 MB of memory in use. ENERGY: 348400 740.4261 2118.3276 1942.8094 119.2238 -206624.8654 17951.5353 0.0000 0.0000 34471.2734 -149281.2699 301.0462 -183752.5432 -149187.9248 298.9757 40.6702 75.7517 558367.8912 -0.3677 -0.5185 PRESSURE: 348600 -85.0791 208.386 46.343 208.387 -159.793 155.128 46.3434 155.128 -184.158 GPRESSURE: 348600 -73.9591 232.264 43.5954 86.5109 -141.231 189.456 11.5656 154.971 -113.551 PRESSAVG: 348600 71.5735 40.6648 -47.478 40.6647 -56.8226 -3.65931 -47.478 -3.65939 -7.91095 GPRESSAVG: 348600 72.5102 40.0743 -48.7081 40.6625 -57.2492 -1.57775 -46.766 -2.7595 -9.01227 TIMING: 348600 CPU: 1040.49, 0.00294965/step Wall: 1040.49, 0.00294965/step, 3.81111 hours remaining, 207.953125 MB of memory in use. ENERGY: 348600 772.7065 2086.9978 1931.7352 108.3644 -205998.5073 17668.4336 0.0000 0.0000 34103.6103 -149326.6594 297.8353 -183430.2698 -149229.7469 299.8243 -143.0100 -109.5803 559327.2884 2.2800 2.0829 PRESSURE: 348800 -80.5088 42.5328 -116.862 42.5322 -198.879 103.149 -116.862 103.148 91.9759 GPRESSURE: 348800 -53.8807 135.244 -74.1745 57.9091 -123.992 159.579 -152.262 28.1319 94.7431 PRESSAVG: 348800 -19.7474 21.6338 -52.3972 21.6338 -28.7614 -29.2466 -52.3973 -29.2466 38.896 GPRESSAVG: 348800 -21.333 23.3575 -53.0851 20.0293 -28.6322 -30.9624 -52.8755 -27.8119 40.2273 TIMING: 348800 CPU: 1041.08, 0.0029539/step Wall: 1041.08, 0.0029539/step, 3.81644 hours remaining, 207.953125 MB of memory in use. ENERGY: 348800 756.0174 2133.8311 1946.8874 111.3862 -206474.6779 17886.9258 0.0000 0.0000 34523.3984 -149116.2317 301.5014 -183639.6300 -149025.2125 299.3913 -62.4706 -27.7098 558266.0236 -3.2043 -3.2459 PRESSURE: 349000 -285.331 26.5099 29.5306 26.5088 24.3896 252.471 29.5302 252.472 -144.624 GPRESSURE: 349000 -290.067 49.0109 28.5263 -19.1618 88.0703 217.686 43.1544 271.92 -115.548 PRESSAVG: 349000 22.6084 -8.87544 -16.9854 -8.87544 -34.1597 57.8379 -16.9854 57.8381 -35.1017 GPRESSAVG: 349000 23.5167 -8.72768 -15.7413 -7.00903 -34.4968 56.2442 -16.3518 56.4498 -35.4783 TIMING: 349000 CPU: 1041.68, 0.0029726/step Wall: 1041.68, 0.0029726/step, 3.84043 hours remaining, 207.953125 MB of memory in use. ENERGY: 349000 721.5520 2038.0874 1943.0091 106.2173 -206068.8933 17593.5250 0.0000 0.0000 34460.7900 -149205.7126 300.9547 -183666.5026 -149104.8124 299.0724 -135.1886 -105.8482 559097.8000 -15.5510 -15.4861 PRESSURE: 349200 -80.295 36.7743 99.5599 36.7744 75.3503 21.6964 99.5595 21.6974 -253 GPRESSURE: 349200 -26.8329 -34.7253 106.997 71.2253 48.0115 67.0921 173.582 -27.7944 -185.925 PRESSAVG: 349200 -69.2477 21.7661 79.9548 21.7661 -1.36407 24.9926 79.9547 24.9926 56.9469 GPRESSAVG: 349200 -69.5454 20.8139 79.6119 23.5053 -2.3285 26.8666 82.3597 24.5714 58.2037 TIMING: 349200 CPU: 1042.27, 0.00297155/step Wall: 1042.27, 0.00297155/step, 3.83891 hours remaining, 207.953125 MB of memory in use. ENERGY: 349200 725.8161 2090.0256 1943.5221 114.5383 -206343.4290 17821.2213 0.0000 0.0000 34399.0227 -149249.2829 300.4152 -183648.3056 -149160.1644 300.3027 -85.9817 -54.9153 558589.7819 -4.5550 -4.5567 PRESSURE: 349400 64.5939 -17.3701 -182.101 -17.3703 -78.2625 13.7757 -182.101 13.7764 -9.46408 GPRESSURE: 349400 60.4918 66.3164 -164.219 -95.513 27.32 -19.7238 -184.637 46.3081 -4.42738 PRESSAVG: 349400 27.6867 -18.6591 46.7808 -18.6591 35.4836 -33.3542 46.7807 -33.3543 -55.8891 GPRESSAVG: 349400 28.2585 -18.1137 47.5208 -19.8329 36.4146 -33.4146 42.993 -33.4415 -57.2207 TIMING: 349400 CPU: 1042.86, 0.00297249/step Wall: 1042.86, 0.00297249/step, 3.83996 hours remaining, 207.953125 MB of memory in use. ENERGY: 349400 770.6740 2066.3460 1923.8892 106.6550 -206396.1232 17851.1869 0.0000 0.0000 34237.0743 -149440.2978 299.0009 -183677.3721 -149333.2299 299.2542 -7.7109 27.7948 557394.4706 2.4271 2.4841 PRESSURE: 349600 -302.034 -85.7961 56.8854 -85.7961 -163.195 40.9498 56.8839 40.9499 -124.586 GPRESSURE: 349600 -261.757 -131.43 40.4436 -44.1837 -152.085 75.171 58.0911 69.5694 -93.7129 PRESSAVG: 349600 -5.82051 -17.4369 42.4497 -17.4368 -72.3058 -18.1387 42.4497 -18.1387 64.1216 GPRESSAVG: 349600 -5.44591 -17.0412 43.6782 -18.9106 -72.8505 -18.5931 42.4178 -18.9568 65.1326 TIMING: 349600 CPU: 1043.46, 0.00296339/step Wall: 1043.46, 0.00296339/step, 3.82804 hours remaining, 207.953125 MB of memory in use. ENERGY: 349600 799.3647 2090.6756 1950.7104 116.9717 -206586.9804 17962.3522 0.0000 0.0000 33935.7969 -149731.1090 296.3698 -183666.9058 -149635.0456 298.2139 -196.6052 -169.1850 559510.1321 -4.6682 -4.3880 PRESSURE: 349800 98.6144 39.9739 77.4394 39.9739 -222.457 -48.0529 77.4397 -48.0521 -204.231 GPRESSURE: 349800 118.113 61.819 93.2962 37.7535 -213.937 -87.8779 106.523 36.2381 -136.114 PRESSAVG: 349800 35.749 63.6763 18.8697 63.6763 -16.1729 -31.3495 18.8696 -31.3495 -24.1223 GPRESSAVG: 349800 35.7048 63.3101 20.4707 64.1517 -15.906 -30.59 18.3586 -30.3242 -24.2315 TIMING: 349800 CPU: 1044.05, 0.00294414/step Wall: 1044.05, 0.00294414/step, 3.80301 hours remaining, 207.953125 MB of memory in use. ENERGY: 349800 759.3980 2174.2384 1928.5156 113.7559 -206730.7540 17904.3853 0.0000 0.0000 34164.2282 -149686.2327 298.3647 -183850.4609 -149593.8939 298.2618 -109.3579 -77.3124 558190.1891 -1.5154 -1.4776 PRESSURE: 350000 48.3242 -167.874 -62.2884 -167.875 104.682 150.406 -62.2883 150.407 -48.7153 GPRESSURE: 350000 51.4155 -86.9722 -103.972 -232.852 166.094 116.09 -115.482 108.08 -11.2431 PRESSAVG: 350000 41.9432 -29.8929 44.8109 -29.8928 -58.7285 -3.52153 44.8109 -3.52139 -8.08885 GPRESSAVG: 350000 42.4998 -30.4026 41.5797 -27.5725 -59.7746 -2.53827 44.6184 -5.68903 -8.2689 TIMING: 350000 CPU: 1044.64, 0.00295592/step Wall: 1044.64, 0.00295592/step, 3.81806 hours remaining, 207.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 350000 721.0046 2053.0017 1916.0376 115.3295 -206326.9725 17926.8275 0.0000 0.0000 34073.1178 -149521.6538 297.5690 -183594.7716 -149424.2918 298.2650 34.7636 68.7555 556403.3759 -8.2914 -8.5146 PRESSURE: 350200 -287.763 -72.1644 -41.7614 -72.1653 67.3498 106.599 -41.7622 106.598 -185.086 GPRESSURE: 350200 -247.301 -94.8186 -53.1229 -124.11 68.1162 71.5755 -39.3446 174.894 -118.524 PRESSAVG: 350200 29.9526 -31.4133 32.886 -31.4134 47.8188 -4.86439 32.8859 -4.86439 -69.061 GPRESSAVG: 350200 30.3211 -29.6726 32.1242 -33.704 48.7391 -6.49314 35.9197 -1.22482 -70.4523 TIMING: 350200 CPU: 1045.23, 0.0029655/step Wall: 1045.23, 0.00296551/step, 3.83028 hours remaining, 207.953125 MB of memory in use. ENERGY: 350200 723.5464 2053.9838 1949.0788 113.3219 -206557.5340 17729.1753 0.0000 0.0000 34210.3451 -149778.0827 298.7675 -183988.4278 -149682.3915 297.8190 -135.1666 -99.2360 556996.8965 2.9035 2.8693 PRESSURE: 350400 -68.6138 240.451 22.5631 240.449 119.103 92.5889 22.5618 92.5888 -238.298 GPRESSURE: 350400 -63.7069 273.251 35.0702 183.968 170.108 93.065 -30.7602 66.4321 -206.11 PRESSAVG: 350400 -22.3396 -22.3655 22.702 -22.3656 2.36659 3.68553 22.702 3.68565 23.7675 GPRESSAVG: 350400 -23.3737 -22.4327 25.2461 -23.376 2.94847 2.8644 21.3378 4.19845 24.0307 TIMING: 350400 CPU: 1045.82, 0.00295871/step Wall: 1045.82, 0.00295871/step, 3.82134 hours remaining, 207.953125 MB of memory in use. ENERGY: 350400 731.8312 2083.1941 1942.8771 103.7932 -206556.9532 17844.4166 0.0000 0.0000 34163.4523 -149687.3887 298.3579 -183850.8411 -149584.5521 297.8628 -62.6028 -33.2362 557255.3115 1.2648 1.2018 PRESSURE: 350600 -96.364 -31.4758 83.922 -31.4763 -57.0208 -84.2581 83.9224 -84.2586 -374.454 GPRESSURE: 350600 -47.0274 -70.8189 45.854 70.4916 -58.4555 -101.543 111.507 -107.802 -323.315 PRESSAVG: 350600 23.298 17.0924 -15.72 17.0923 3.62428 57.4117 -15.72 57.4117 -54.095 GPRESSAVG: 350600 21.5879 18.0305 -17.6472 14.3324 4.36171 57.9145 -14.7949 56.536 -52.8688 TIMING: 350600 CPU: 1046.41, 0.00295797/step Wall: 1046.41, 0.00295797/step, 3.82021 hours remaining, 207.953125 MB of memory in use. ENERGY: 350600 772.3913 2123.4502 1934.6338 111.9190 -206088.7302 17491.6771 0.0000 0.0000 34204.0967 -149450.5621 298.7129 -183654.6588 -149356.3257 297.8332 -175.9462 -142.9325 556326.0485 -9.0576 -8.9730 PRESSURE: 350800 90.0336 4.38761 9.65009 4.38803 -16.9025 201.979 9.6492 201.978 111.587 GPRESSURE: 350800 149.396 31.4401 -58.5633 26.112 25.8368 142.797 57.6861 159.736 105.036 PRESSAVG: 350800 -15.4745 31.8009 0.925732 31.8009 30.8336 22.5151 0.925731 22.5151 17.6224 GPRESSAVG: 350800 -14.7552 29.0964 1.08321 35.7974 30.9905 24.0315 0.633754 22.7691 16.629 TIMING: 350800 CPU: 1047.01, 0.00296948/step Wall: 1047.01, 0.00296948/step, 3.83492 hours remaining, 207.953125 MB of memory in use. ENERGY: 350800 746.3638 2091.9435 1913.4853 112.1904 -206578.6707 17965.8403 0.0000 0.0000 34312.8265 -149436.0208 299.6624 -183748.8473 -149340.1875 298.7977 61.5726 93.4228 556131.2904 10.9938 10.9548 PRESSURE: 351000 -117.672 31.8639 50.5452 31.8632 36.0887 -16.6743 50.5443 -16.6745 -46.3901 GPRESSURE: 351000 -55.3995 -48.9619 15.6605 136.516 31.5585 106.273 5.54151 -33.2788 -11.3423 PRESSAVG: 351000 -62.6713 81.6891 -15.1963 81.6892 51.2864 5.96095 -15.1963 5.96084 40.3343 GPRESSAVG: 351000 -61.4103 81.248 -14.2048 82.1415 49.8466 5.35313 -16.8655 4.06727 40.6363 TIMING: 351000 CPU: 1047.6, 0.0029673/step Wall: 1047.6, 0.0029673/step, 3.83193 hours remaining, 207.953125 MB of memory in use. ENERGY: 351000 739.5565 2121.0040 1965.0702 121.7090 -206533.5708 17813.5332 0.0000 0.0000 34364.8923 -149407.8055 300.1172 -183772.6978 -149308.9087 298.8098 -42.6579 -11.7278 557054.3369 9.6498 9.6908 PRESSURE: 351200 153.182 144.427 -69.8008 144.427 -62.564 -11.3756 -69.8011 -11.3754 -94.2411 GPRESSURE: 351200 143.181 135.051 -57.5733 187.216 19.8482 45.3164 -138.546 4.70244 -66.8291 PRESSAVG: 351200 10.4311 17.7503 3.28502 17.7503 21.8349 19.0656 3.28506 19.0656 -75.3009 GPRESSAVG: 351200 9.72244 17.5247 2.76316 17.7606 21.896 19.6392 2.45938 21.5215 -74.3281 TIMING: 351200 CPU: 1048.2, 0.0029688/step Wall: 1048.2, 0.0029688/step, 3.83372 hours remaining, 207.953125 MB of memory in use. ENERGY: 351200 740.5602 2061.7861 1949.8592 121.2614 -206581.8387 18082.6997 0.0000 0.0000 34221.4830 -149404.1892 298.8647 -183625.6721 -149307.6946 299.0854 -1.2076 32.0666 558619.3185 -14.3450 -14.2366 PRESSURE: 351400 -195.682 4.05862 -38.0633 4.05904 23.4426 53.0037 -38.0628 53.0041 -247.066 GPRESSURE: 351400 -208.179 -20.7272 -76.0783 37.2558 67.5432 41.8433 50.859 91.5773 -192.419 PRESSAVG: 351400 26.9754 24.9663 32.4597 24.9663 15.906 -62.5395 32.4597 -62.5396 0.875671 GPRESSAVG: 351400 27.5884 26.9795 32.3345 22.9247 16.3272 -63.3311 33.5403 -63.6639 0.103656 TIMING: 351400 CPU: 1048.79, 0.00296423/step Wall: 1048.79, 0.00296423/step, 3.82765 hours remaining, 207.953125 MB of memory in use. ENERGY: 351400 760.5372 2002.8531 1919.6906 116.2108 -205872.7142 17594.0082 0.0000 0.0000 34019.4430 -149459.9712 297.1003 -183479.4142 -149368.4100 298.1538 -139.7684 -111.0185 556595.2186 14.5857 14.6731 PRESSURE: 351600 -54.1131 179.037 -65.7591 179.037 120.475 15.7682 -65.7601 15.7686 -57.3143 GPRESSURE: 351600 -47.0604 161.149 -17.07 98.8049 160.176 -33.8173 -43.7966 63.5409 1.22473 PRESSAVG: 351600 -22.8468 9.38502 37.1475 9.38512 27.8717 -42.2667 37.1475 -42.2668 -25.953 GPRESSAVG: 351600 -23.3022 10.4163 37.515 8.06845 27.5134 -42.8541 38.1099 -43.5558 -24.443 TIMING: 351600 CPU: 1049.38, 0.00295399/step Wall: 1049.38, 0.00295399/step, 3.81426 hours remaining, 207.953125 MB of memory in use. ENERGY: 351600 750.9679 2061.4037 1921.3931 114.4618 -206389.1169 17690.7679 0.0000 0.0000 34358.3330 -149491.7894 300.0599 -183850.1225 -149386.2460 298.8113 3.0159 38.1134 555728.7201 -6.9760 -6.7440 PRESSURE: 351800 -81.1016 -143.287 175.402 -143.285 -112.476 -36.6728 175.401 -36.6734 76.5304 GPRESSURE: 351800 -82.1673 -142.834 185.239 -89.5357 -129.119 -16.9571 252.174 -43.3443 179.69 PRESSAVG: 351800 29.3967 35.8728 34.0314 35.8727 -26.2485 -30.7641 34.0315 -30.7641 -23.5035 GPRESSAVG: 351800 29.2746 34.3878 34.7885 35.5885 -26.069 -30.8928 33.9684 -28.8147 -23.1698 TIMING: 351800 CPU: 1049.97, 0.00293991/step Wall: 1049.97, 0.00293991/step, 3.79592 hours remaining, 207.953125 MB of memory in use. ENERGY: 351800 712.1332 2075.1942 1935.7799 120.4093 -206234.4163 17638.3516 0.0000 0.0000 34255.4235 -149497.1246 299.1611 -183752.5481 -149396.1429 298.9893 -39.0156 -10.5323 555938.3960 -6.7851 -6.6547 PRESSURE: 352000 126.541 45.8065 -142.384 45.8061 -44.1732 -28.2447 -142.385 -28.2444 -183.517 GPRESSURE: 352000 137.074 69.9865 -68.0935 49.1102 -16.2178 -46.0368 -178.207 -43.2712 -124.069 PRESSAVG: 352000 -83.1752 -69.9238 15.9997 -69.9237 17.5093 -42.572 15.9996 -42.572 34.2112 GPRESSAVG: 352000 -83.9599 -69.4404 13.6675 -69.0023 18.9571 -42.9189 15.269 -43.3192 33.8775 TIMING: 352000 CPU: 1050.56, 0.00294607/step Wall: 1050.56, 0.00294607/step, 3.80371 hours remaining, 207.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 352000 756.1314 2096.3944 1922.7720 107.4550 -205989.6938 17716.6414 0.0000 0.0000 34237.6724 -149152.6272 299.0061 -183390.2996 -149049.5216 299.4294 -33.7164 -1.0708 557630.8653 -10.4849 -10.3751 PRESSURE: 352200 -251.56 -11.4926 46.5434 -11.4934 102.664 21.2886 46.5431 21.2898 20.2759 GPRESSURE: 352200 -245.331 -71.324 114.197 32.2061 91.5838 12.4449 -7.19735 6.09855 112.832 PRESSAVG: 352200 -3.33263 9.6342 -22.1078 9.63415 18.543 26.4948 -22.1078 26.4948 26.6809 GPRESSAVG: 352200 -2.61042 9.06393 -20.1892 9.75061 18.0407 27.2734 -23.2602 25.4751 26.5551 TIMING: 352200 CPU: 1051.15, 0.00294487/step Wall: 1051.15, 0.00294487/step, 3.80199 hours remaining, 207.953125 MB of memory in use. ENERGY: 352200 759.3219 2061.2973 1944.5328 111.6338 -205792.2210 17659.8272 0.0000 0.0000 34293.8358 -148961.7721 299.4966 -183255.6079 -148869.3167 299.4648 -42.8732 -13.6385 556908.6763 13.9638 13.9951 LDB: ============= START OF LOAD BALANCING ============== 1054.69 LDB: ============== END OF LOAD BALANCING =============== 1054.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1054.69 LDB: ============= START OF LOAD BALANCING ============== 1054.99 LDB: Largest compute 4795 load 0.026938 is 22.8% of average load 0.117973 LDB: Average compute 0.001732 is 1.5% of average load 0.117973 LDB: TIME 1054.99 LOAD: AVG 0.117973 MAX 0.204896 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 1054.99 LOAD: AVG 0.117973 MAX 0.204896 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: TIME 1054.99 LOAD: AVG 0.117973 MAX 0.204896 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1055 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1055 PRESSURE: 352400 -80.4815 -89.383 46.2154 -89.3832 -90.584 104.593 46.216 104.593 25.3697 GPRESSURE: 352400 -73.1132 -102.494 49.9253 -68.9895 -64.0283 94.6395 1.78799 153.142 80.3829 PRESSAVG: 352400 -15.5721 -17.9785 -16.3104 -17.9784 16.6317 1.46593 -16.3106 1.46594 27.4266 GPRESSAVG: 352400 -15.5501 -19.6654 -17.1503 -16.9955 16.5913 0.985051 -15.9613 2.56796 27.2127 TIMING: 352400 CPU: 1051.75, 0.00302121/step Wall: 1051.75, 0.00302121/step, 3.90038 hours remaining, 207.242188 MB of memory in use. ENERGY: 352400 770.0817 2092.6613 1939.7064 105.7920 -206239.4576 17874.8288 0.0000 0.0000 34305.2589 -149151.1285 299.5964 -183456.3874 -149051.2592 300.0080 -48.5653 -18.9195 557535.9162 9.4954 9.4180 PRESSURE: 352600 358.216 89.1018 163.782 89.1014 14.7766 -44.3211 163.784 -44.3199 -135.986 GPRESSURE: 352600 380.342 109.271 140.366 123.143 3.6284 -51.2941 228.467 -22.3685 -41.6376 PRESSAVG: 352600 84.8754 29.4339 -32.8878 29.4339 -66.4351 23.3055 -32.8878 23.3055 25.9477 GPRESSAVG: 352600 84.7219 32.0996 -32.0328 28.6639 -66.3582 24.5689 -31.9925 23.2339 26.0802 TIMING: 352600 CPU: 1052.35, 0.00298684/step Wall: 1052.35, 0.00298684/step, 3.85584 hours remaining, 207.242188 MB of memory in use. ENERGY: 352600 740.4347 2004.3327 1943.7213 106.1131 -206189.0335 17777.3660 0.0000 0.0000 34415.2443 -149201.8213 300.5569 -183617.0656 -149100.5250 299.5123 79.0022 114.1110 555548.9586 14.7960 14.8146 PRESSURE: 352800 -192.465 26.9023 -24.0321 26.9026 38.1038 -17.8932 -24.0324 -17.8939 7.92628 GPRESSURE: 352800 -51.4219 22.8027 -32.0424 20.7156 36.7732 -0.829193 -13.9566 -6.23324 -38.3714 PRESSAVG: 352800 8.51847 -4.70541 22.7677 -4.70543 -20.1369 26.4231 22.7676 26.4229 -35.8882 GPRESSAVG: 352800 8.37543 -4.8709 20.5256 -4.21933 -21.0791 28.3094 21.9627 25.6532 -35.4505 TIMING: 352800 CPU: 1052.95, 0.00299485/step Wall: 1052.95, 0.00299485/step, 3.86602 hours remaining, 207.242188 MB of memory in use. ENERGY: 352800 788.1850 2070.1416 1928.6290 111.5982 -206141.0548 17733.6718 0.0000 0.0000 34102.7854 -149406.0439 297.8281 -183508.8293 -149306.7055 299.6579 -48.8118 -17.6734 556352.0091 -15.8355 -16.0514 PRESSURE: 353000 190.202 29.172 -71.0801 29.1727 158.098 -4.99217 -71.0797 -4.99247 104.929 GPRESSURE: 353000 213.596 62.3169 -40.7743 51.4461 174.549 -24.5389 4.31446 76.7885 157.916 PRESSAVG: 353000 -6.9877 5.79711 -52.9528 5.79719 29.3026 13.0651 -52.9529 13.0651 -22.6136 GPRESSAVG: 353000 -7.49531 4.63984 -52.5657 5.44378 31.4144 12.137 -51.609 13.9384 -24.1282 TIMING: 353000 CPU: 1053.54, 0.00297044/step Wall: 1053.54, 0.00297044/step, 3.83435 hours remaining, 207.242188 MB of memory in use. ENERGY: 353000 719.7139 2131.7848 1912.3870 113.2913 -206607.7888 18017.6756 0.0000 0.0000 34237.0187 -149475.9175 299.0004 -183712.9362 -149382.8530 299.1167 151.0764 182.0207 556385.9426 -0.0996 -0.0697 PRESSURE: 353200 -243.038 -14.4687 152.966 -14.4678 -335.76 -96.7785 152.966 -96.7779 -156.072 GPRESSURE: 353200 -230.817 -24.918 190.658 -75.4664 -272.876 -63.6447 83.1328 -91.8683 -147.215 PRESSAVG: 353200 -61.9597 -40.8892 6.65282 -40.8893 -4.27149 7.01444 6.65278 7.01438 33.7179 GPRESSAVG: 353200 -61.7607 -41.5006 6.10935 -41.7535 -5.50102 5.42653 7.68939 8.07089 34.6706 TIMING: 353200 CPU: 1054.13, 0.00295162/step Wall: 1054.13, 0.00295162/step, 3.80989 hours remaining, 207.242188 MB of memory in use. ENERGY: 353200 740.5698 2093.5181 1941.1290 124.5260 -205773.5048 17306.7121 0.0000 0.0000 34321.3441 -149245.7057 299.7368 -183567.0498 -149147.0727 299.2080 -244.9565 -216.9695 558556.5375 -10.8378 -10.8637 PRESSURE: 353400 155.635 -154.61 210.17 -154.611 -39.1045 42.2129 210.169 42.2131 -30.4632 GPRESSURE: 353400 168.404 -136.37 168.733 -104.908 28.3939 -33.6922 91.9758 114.165 12.8638 PRESSAVG: 353400 18.1571 -3.57239 56.6549 -3.57238 -21.5159 2.90435 56.655 2.90439 -28.4352 GPRESSAVG: 353400 17.9581 -1.71103 57.3251 -2.95875 -20.8045 3.09151 54.5542 3.85131 -28.6141 TIMING: 353400 CPU: 1054.73, 0.0029798/step Wall: 1054.73, 0.0029798/step, 3.8461 hours remaining, 207.242188 MB of memory in use. ENERGY: 353400 767.7311 2080.8551 1964.8851 122.1342 -206217.7497 17836.3223 0.0000 0.0000 34172.2523 -149273.5696 298.4348 -183445.8219 -149176.4675 299.8057 28.6892 69.8872 557173.0066 -10.5980 -10.4869 PRESSURE: 353600 298.127 -64.0541 138.57 -64.0532 -83.2308 121.153 138.571 121.152 25.3944 GPRESSURE: 353600 344.539 2.38121 178.797 -77.7548 -49.5757 79.7121 84.6016 77.3575 37.4133 PRESSAVG: 353600 5.98778 -40.8318 56.7436 -40.8319 -4.67063 20.9813 56.7435 20.9814 3.08148 GPRESSAVG: 353600 6.29896 -43.5182 56.4116 -39.911 -5.59672 19.6524 57.7799 19.7227 3.80277 TIMING: 353600 CPU: 1055.32, 0.002993/step Wall: 1055.32, 0.002993/step, 3.86296 hours remaining, 207.242188 MB of memory in use. ENERGY: 353600 762.8153 2112.1951 1926.9629 109.1916 -206634.3316 17903.2207 0.0000 0.0000 34304.4533 -149515.4928 299.5893 -183819.9461 -149412.7619 299.3039 80.0968 110.7922 556313.2067 1.4662 1.5017 PRESSURE: 353800 134.395 -104.934 52.2764 -104.933 71.8729 70.9742 52.2759 70.9736 111.454 GPRESSURE: 353800 203.956 -130.306 43.6178 -3.7129 64.8587 69.5177 18.7784 14.1706 135.974 PRESSAVG: 353800 64.016 -29.1592 82.4857 -29.1591 -14.442 19.945 82.4856 19.945 -33.0304 GPRESSAVG: 353800 64.1611 -26.9726 81.2863 -28.0174 -13.8928 20.9888 82.6172 20.3961 -33.5265 TIMING: 353800 CPU: 1055.92, 0.00296274/step Wall: 1055.92, 0.00296274/step, 3.82374 hours remaining, 207.242188 MB of memory in use. ENERGY: 353800 743.1696 2087.0768 1947.5501 125.1328 -206428.4298 17892.2518 0.0000 0.0000 34245.7205 -149387.5282 299.0764 -183633.2486 -149290.0239 298.6165 105.9074 134.9296 555625.5186 5.5145 5.5806 PRESSURE: 354000 -315.74 -97.2198 75.2296 -97.2181 -43.6548 -49.6948 75.2284 -49.6938 -228.005 GPRESSURE: 354000 -246.29 -57.1451 50.4602 -119.11 -58.1748 -78.2305 36.4381 -38.3267 -186.367 PRESSAVG: 354000 -32.2683 -26.9047 51.9728 -26.9046 47.5675 -25.1837 51.9728 -25.1838 -17.3392 GPRESSAVG: 354000 -32.5801 -26.9462 52.9676 -28.8365 46.5765 -25.7595 51.6121 -25.8747 -16.2058 TIMING: 354000 CPU: 1056.51, 0.0029707/step Wall: 1056.51, 0.0029707/step, 3.83386 hours remaining, 207.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 354000 766.4827 2103.8835 1923.9649 102.5275 -206269.7108 17527.0209 0.0000 0.0000 34386.5199 -149459.3115 300.3060 -183845.8314 -149359.2583 299.0413 -195.8000 -163.6103 556217.1605 -0.6800 -0.7365 PRESSURE: 354200 98.5697 -22.5746 -86.9957 -22.5751 178.867 -78.4103 -86.9957 -78.41 158.195 GPRESSURE: 354200 145.766 13.0007 -31.9863 -11.4174 202.079 28.252 -115.295 -115.686 189.185 PRESSAVG: 354200 15.2198 -49.872 29.5458 -49.8721 -68.713 -11.1814 29.5458 -11.1814 93.4364 GPRESSAVG: 354200 16.4034 -52.2766 32.1101 -47.9866 -68.0859 -10.3015 28.3062 -10.8582 91.4178 TIMING: 354200 CPU: 1057.1, 0.00294199/step Wall: 1057.1, 0.00294199/step, 3.79664 hours remaining, 207.242188 MB of memory in use. ENERGY: 354200 754.9132 2108.8262 1917.1893 118.1819 -206583.7126 17960.9652 0.0000 0.0000 34242.6103 -149481.0263 299.0492 -183723.6366 -149390.7055 299.4357 145.2107 179.0104 555413.7880 13.3144 13.2451 PRESSURE: 354400 97.3608 -3.33114 81.733 -3.33136 -60.2172 -129.109 81.7329 -129.108 -345.852 GPRESSURE: 354400 108.439 -4.38018 105.233 -31.999 -22.3955 -57.7898 3.52034 -171.399 -299.311 PRESSAVG: 354400 9.13727 -33.1407 -28.2159 -33.1406 66.0449 -12.6849 -28.2159 -12.685 -90.7592 GPRESSAVG: 354400 8.53477 -31.9056 -29.8869 -32.8352 65.575 -11.4394 -26.8459 -13.6047 -89.8143 TIMING: 354400 CPU: 1057.69, 0.00295402/step Wall: 1057.69, 0.00295402/step, 3.812 hours remaining, 207.242188 MB of memory in use. ENERGY: 354400 767.7410 2045.6055 1930.3272 93.8240 -206491.0516 17859.2669 0.0000 0.0000 34265.8415 -149528.4454 299.2521 -183794.2869 -149441.3437 297.9690 -102.9029 -71.0893 556251.5883 -5.1923 -5.2349 PRESSURE: 354600 -228.574 -48.6824 -8.02381 -48.6819 -196.808 -183.387 -8.02408 -183.386 -215.469 GPRESSURE: 354600 -185.192 -57.4492 -64.6833 -151.021 -105.965 -214.454 59.5373 -51.6554 -239.527 PRESSAVG: 354600 9.45014 -65.4551 -13.8509 -65.455 68.3048 -22.1704 -13.8509 -22.1704 -28.7887 GPRESSAVG: 354600 8.27842 -65.4961 -13.5963 -68.4794 68.9041 -24.394 -13.9852 -20.5613 -28.6682 TIMING: 354600 CPU: 1058.28, 0.00296101/step Wall: 1058.28, 0.00296101/step, 3.82085 hours remaining, 207.242188 MB of memory in use. ENERGY: 354600 761.7438 2116.0962 1916.7452 107.3171 -205945.3788 17418.9511 0.0000 0.0000 34222.2143 -149402.3110 298.8711 -183624.5253 -149311.9957 299.2994 -213.6173 -176.8947 556726.1326 16.3221 16.1714 PRESSURE: 354800 -56.968 59.5765 98.4245 59.5765 87.6975 -37.9894 98.4242 -37.989 305.949 GPRESSURE: 354800 10.7394 115.858 164.324 33.794 98.8234 -62.944 3.16164 -49.9031 324.598 PRESSAVG: 354800 74.3698 0.0958464 -1.13377 0.0958349 -18.7121 31.3219 -1.1338 31.3219 -17.0606 GPRESSAVG: 354800 74.9283 -0.0877669 0.0772091 0.440492 -20.0127 31.5055 -0.885745 31.2754 -16.9001 TIMING: 354800 CPU: 1058.87, 0.00293866/step Wall: 1058.87, 0.00293866/step, 3.79185 hours remaining, 207.242188 MB of memory in use. ENERGY: 354800 746.7998 2037.6576 1953.2660 111.9861 -206253.0095 17792.1610 0.0000 0.0000 34280.8880 -149330.2511 299.3835 -183611.1391 -149224.7711 299.3942 112.2263 144.7203 556470.3947 12.8657 12.6718 PRESSURE: 355000 138.031 72.439 42.137 72.4392 -223.693 -121.748 42.137 -121.749 222.907 GPRESSURE: 355000 164.484 42.2598 27.4994 114.953 -183.434 -122.622 6.62318 -60.9402 250.091 PRESSAVG: 355000 31.2476 -10.334 18.355 -10.334 21.7454 19.9013 18.355 19.9014 -77.118 GPRESSAVG: 355000 31.6044 -9.64017 17.3614 -8.15571 21.7512 19.8239 19.0421 18.1938 -76.8001 TIMING: 355000 CPU: 1059.46, 0.00295722/step Wall: 1059.46, 0.00295722/step, 3.81564 hours remaining, 207.242188 MB of memory in use. ENERGY: 355000 722.0947 2091.7685 1936.3298 120.3054 -206416.8847 17842.1352 0.0000 0.0000 34306.1023 -149398.1489 299.6037 -183704.2512 -149299.5993 300.0490 45.7483 77.0471 555671.9169 -8.0417 -7.8148 PRESSURE: 355200 -149.731 -25.9752 -19.8808 -25.975 -149.657 -78.8989 -19.8808 -78.8988 -316.536 GPRESSURE: 355200 -93.2155 -65.6775 60.1968 9.58377 -117.859 -154.39 -83.5565 -41.0847 -306.466 PRESSAVG: 355200 84.7294 1.64061 21.5183 1.64062 -46.3366 28.3236 21.5184 28.3237 6.48482 GPRESSAVG: 355200 85.19 0.779027 19.6642 0.200373 -47.0233 26.9735 23.5743 29.9144 6.29258 TIMING: 355200 CPU: 1060.06, 0.00296877/step Wall: 1060.06, 0.00296878/step, 3.83038 hours remaining, 207.242188 MB of memory in use. ENERGY: 355200 780.7733 2084.0453 1940.6369 105.9803 -206217.5211 17617.0421 0.0000 0.0000 34260.5666 -149428.4766 299.2060 -183689.0431 -149329.8087 299.5819 -205.3081 -172.5136 557091.1553 14.9592 14.8198 PRESSURE: 355400 134.301 189.567 167.762 189.566 -119.792 -33.657 167.762 -33.6574 -80.7073 GPRESSURE: 355400 170.88 204.132 121.057 187.466 -130.755 20.8046 186.376 -147.672 -7.46863 PRESSAVG: 355400 86.596 -20.5963 60.4896 -20.5964 -38.5644 -75.5975 60.4896 -75.5977 -57.2947 GPRESSAVG: 355400 84.8536 -21.7782 62.3404 -18.1678 -37.6163 -73.9405 58.4423 -75.9899 -56.7264 TIMING: 355400 CPU: 1060.65, 0.00295357/step Wall: 1060.65, 0.00295357/step, 3.8106 hours remaining, 207.242188 MB of memory in use. ENERGY: 355400 730.7584 2113.5537 1923.5896 116.0158 -206099.6165 17709.7331 0.0000 0.0000 34011.6166 -149494.3493 297.0319 -183505.9659 -149393.4493 298.6529 -22.0662 10.8854 557001.1962 -3.0877 -3.1630 PRESSURE: 355600 -13.224 71.1812 -88.9193 71.1804 -145.93 89.2454 -88.9196 89.2448 -169.716 GPRESSURE: 355600 -38.0849 2.4692 -182.352 32.7136 -50.9554 43.2579 -112.817 164.918 -130.757 PRESSAVG: 355600 12.2414 -3.08603 -1.07537 -3.08602 22.6836 -2.82446 -1.07526 -2.82456 11.5535 GPRESSAVG: 355600 12.8687 -1.35481 -2.87086 -4.81352 22.8126 -2.89794 -1.29725 -3.69632 10.2962 TIMING: 355600 CPU: 1061.24, 0.0029832/step Wall: 1061.24, 0.0029832/step, 3.84866 hours remaining, 207.242188 MB of memory in use. ENERGY: 355600 750.3599 2061.1974 1934.5109 134.9005 -206256.5626 17756.8380 0.0000 0.0000 34175.9310 -149442.8249 298.4669 -183618.7560 -149345.8483 299.1258 -109.6235 -73.2657 557981.8820 15.4928 15.3258 PRESSURE: 355800 -95.2436 177.198 118.385 177.198 12.1785 88.3076 118.385 88.3083 8.12879 GPRESSURE: 355800 -75.0485 181.565 112.249 164.157 31.2342 119.028 9.72275 41.4178 66.7494 PRESSAVG: 355800 44.8182 7.93563 -39.8248 7.93562 -57.4154 25.4326 -39.8248 25.4327 22.9201 GPRESSAVG: 355800 44.4271 7.84268 -36.5112 8.25086 -57.3536 27.5395 -40.8833 23.662 23.3275 TIMING: 355800 CPU: 1061.84, 0.00297409/step Wall: 1061.84, 0.00297408/step, 3.83673 hours remaining, 207.242188 MB of memory in use. ENERGY: 355800 736.8093 2077.3653 1954.6302 111.0572 -206378.5125 17786.0458 0.0000 0.0000 34255.0178 -149457.5869 299.1576 -183712.6047 -149356.2793 298.5525 -24.9788 7.6451 557799.3522 3.4409 3.4670 PRESSURE: 356000 26.3226 65.6039 115.288 65.6056 -131.794 8.30931 115.289 8.30913 -63.4073 GPRESSURE: 356000 50.6238 41.3878 174.779 33.7468 -65.2547 -54.9761 93.3611 44.9202 -60.911 PRESSAVG: 356000 3.58422 14.4333 5.99324 14.4333 20.6451 -15.7157 5.99325 -15.7156 18.049 GPRESSAVG: 356000 4.44478 12.6138 4.16467 14.308 19.8307 -15.059 6.71202 -14.512 17.2641 TIMING: 356000 CPU: 1062.43, 0.00297056/step Wall: 1062.43, 0.00297056/step, 3.83202 hours remaining, 207.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 356000 750.3879 2102.4194 1935.7717 117.3903 -205874.4134 17602.4112 0.0000 0.0000 33960.1987 -149405.8342 296.5829 -183366.0329 -149308.5442 298.2567 -56.2929 -25.1806 556351.5871 14.0928 13.8465 PRESSURE: 356200 -32.1351 2.51244 -124.381 2.51316 9.30912 -98.5809 -124.382 -98.5816 51.0597 GPRESSURE: 356200 -10.9295 -29.486 -164.041 100.286 59.5537 -68.573 -115.263 29.2443 84.153 PRESSAVG: 356200 57.1996 47.3839 10.5246 47.3839 -74.7025 -33.345 10.5245 -33.3451 19.7448 GPRESSAVG: 356200 55.5045 47.9418 12.2331 49.0102 -73.7495 -34.0725 9.31245 -32.1088 20.5146 TIMING: 356200 CPU: 1063.02, 0.00293933/step Wall: 1063.02, 0.00293933/step, 3.79157 hours remaining, 207.242188 MB of memory in use. ENERGY: 356200 714.6622 2091.2034 1910.7846 124.2436 -206112.1847 17738.2336 0.0000 0.0000 34049.5265 -149483.5308 297.3630 -183533.0573 -149392.9869 298.5322 9.4112 44.2590 557332.4120 0.7473 0.7565 LDB: ============= START OF LOAD BALANCING ============== 1066.56 LDB: ============== END OF LOAD BALANCING =============== 1066.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1066.57 LDB: ============= START OF LOAD BALANCING ============== 1066.86 LDB: Largest compute 4795 load 0.026367 is 22.3% of average load 0.117994 LDB: Average compute 0.001731 is 1.5% of average load 0.117994 LDB: TIME 1066.86 LOAD: AVG 0.117994 MAX 0.203416 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.043 MB LDB: TIME 1066.86 LOAD: AVG 0.117994 MAX 0.203416 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.105 MB LDB: TIME 1066.86 LOAD: AVG 0.117994 MAX 0.203416 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.105 MB LDB: ============== END OF LOAD BALANCING =============== 1066.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1066.87 PRESSURE: 356400 -106.45 -142.813 -142.329 -142.812 1.97162 -34.4911 -142.329 -34.4903 -432.778 GPRESSURE: 356400 -151.324 -107.573 -93.9984 -174.103 114.827 17.4558 -138.078 -131.036 -402.5 PRESSAVG: 356400 -18.7468 -29.6449 9.2324 -29.6448 -0.359013 -37.365 9.23249 -37.3649 22.357 GPRESSAVG: 356400 -18.3918 -29.5325 8.32531 -31.5865 1.11416 -37.8188 9.24392 -39.3587 21.2743 TIMING: 356400 CPU: 1063.62, 0.00300074/step Wall: 1063.62, 0.00300074/step, 3.87062 hours remaining, 207.296875 MB of memory in use. ENERGY: 356400 756.5187 2072.6135 1936.4221 128.4958 -206126.1150 17566.2678 0.0000 0.0000 34079.4575 -149586.3395 297.6244 -183665.7970 -149489.6856 298.2333 -179.0855 -146.3323 557974.2661 1.0837 1.3322 PRESSURE: 356600 51.2824 69.1482 -140.923 69.1487 -56.0582 -39.6664 -140.924 -39.6665 149.623 GPRESSURE: 356600 86.5384 72.182 -120.567 63.125 -23.0979 -31.5519 -74.9067 20.0061 176.443 PRESSAVG: 356600 30.9652 0.40445 6.46636 0.40446 15.5804 -36.6132 6.46632 -36.6131 -31.6459 GPRESSAVG: 356600 31.5162 1.29889 4.45455 0.851074 14.9532 -37.2371 8.25374 -36.9018 -31.3444 TIMING: 356600 CPU: 1064.21, 0.00295714/step Wall: 1064.21, 0.00295714/step, 3.81422 hours remaining, 207.296875 MB of memory in use. ENERGY: 356600 732.6691 2074.3515 1935.7590 123.4076 -206622.0937 17975.9591 0.0000 0.0000 34307.4997 -149472.4476 299.6159 -183779.9474 -149379.8247 298.3338 48.2825 79.9613 557217.9936 4.9666 5.0417 PRESSURE: 356800 156.577 59.5004 28.6583 59.5008 -162.748 26.6759 28.6588 26.6746 -337.986 GPRESSURE: 356800 117.209 -9.92788 97.2774 146.369 -94.1726 4.04775 -16.8776 -53.2849 -277.693 PRESSAVG: 356800 14.2508 27.9585 6.01727 27.9585 -1.75998 -18.1887 6.01731 -18.1887 -24.1653 GPRESSAVG: 356800 14.91 27.6468 8.79468 29.8884 -2.14588 -17.5969 3.47962 -17.0332 -24.3448 TIMING: 356800 CPU: 1064.81, 0.00296934/step Wall: 1064.81, 0.00296933/step, 3.82978 hours remaining, 207.296875 MB of memory in use. ENERGY: 356800 739.8518 2047.1883 1928.2784 116.1303 -205698.1037 17477.6176 0.0000 0.0000 34091.4355 -149297.6019 297.7290 -183389.0373 -149199.8519 298.4171 -114.7190 -84.8857 556552.8072 -3.8915 -3.8602 PRESSURE: 357000 -79.4096 -10.0784 63.348 -10.079 31.6471 205.059 63.3491 205.059 414.162 GPRESSURE: 357000 -54.7021 -63.6708 11.6528 -54.3766 75.885 238.78 110.179 203.974 454.569 PRESSAVG: 357000 2.79062 14.7265 27.0989 14.7265 -15.3429 33.4346 27.099 33.4347 15.9875 GPRESSAVG: 357000 3.8853 16.3829 26.4202 14.411 -15.6555 32.513 27.0686 31.9946 15.5995 TIMING: 357000 CPU: 1065.4, 0.00296657/step Wall: 1065.4, 0.00296657/step, 3.82605 hours remaining, 207.296875 MB of memory in use. ENERGY: 357000 727.1703 2069.3134 1944.0705 99.0467 -206235.2527 17902.0804 0.0000 0.0000 34170.4519 -149323.1196 298.4191 -183493.5715 -149230.8539 298.8909 122.1332 158.5841 556036.7523 1.1451 1.2764 PRESSURE: 357200 7.28266 -108.521 28.1052 -108.52 70.4603 -172.713 28.1046 -172.713 -86.6314 GPRESSURE: 357200 45.7428 -120.313 -22.333 -110.814 94.7179 -115.101 50.661 -196.228 -57.9642 PRESSAVG: 357200 7.67892 -24.2749 -23.878 -24.2748 -18.2669 -2.29608 -23.878 -2.29617 -13.5102 GPRESSAVG: 357200 5.83667 -23.9138 -25.7812 -25.2388 -17.7546 -1.25986 -21.1678 -1.88612 -12.3066 TIMING: 357200 CPU: 1066, 0.00301121/step Wall: 1066, 0.00301121/step, 3.88346 hours remaining, 207.296875 MB of memory in use. ENERGY: 357200 727.4690 2033.8124 1962.4722 109.5180 -206023.7129 17616.3773 0.0000 0.0000 34123.3555 -149450.7086 298.0078 -183574.0640 -149348.7597 299.0384 -2.9628 27.4988 556712.3766 -8.0327 -8.0748 PRESSURE: 357400 -36.1608 68.5597 -108.71 68.5598 -1.79296 -147.851 -108.711 -147.852 74.9538 GPRESSURE: 357400 -56.2112 34.2561 -121.506 42.6748 59.174 -86.0941 -104.504 -142.346 123.776 PRESSAVG: 357400 57.5911 17.3965 -39.6089 17.3964 -72.4976 -28.9702 -39.609 -28.9702 11.1932 GPRESSAVG: 357400 57.6042 16.6073 -39.1569 14.876 -72.6275 -31.4844 -40.9143 -28.0639 11.1043 TIMING: 357400 CPU: 1066.6, 0.00298018/step Wall: 1066.6, 0.00298018/step, 3.84327 hours remaining, 207.296875 MB of memory in use. ENERGY: 357400 770.0309 2090.9366 1954.8139 103.2685 -206523.3843 17876.3464 0.0000 0.0000 34303.9211 -149424.0669 299.5847 -183727.9879 -149322.2404 298.7719 12.3333 42.2463 557436.7448 -1.2378 -1.3063 PRESSURE: 357600 80.0014 116.867 120.674 116.868 -188.385 10.6142 120.673 10.6127 52.1453 GPRESSURE: 357600 183.416 116.703 123.954 203.002 -176.355 -117.954 144.118 145.172 38.412 PRESSAVG: 357600 8.72861 -4.26962 -28.2537 -4.26959 -45.3551 22.6923 -28.2538 22.6922 9.75851 GPRESSAVG: 357600 10.1533 -3.18757 -27.4469 -4.49021 -46.4809 24.7127 -28.8834 23.0935 9.48201 TIMING: 357600 CPU: 1067.2, 0.00300344/step Wall: 1067.2, 0.00300344/step, 3.8731 hours remaining, 207.296875 MB of memory in use. ENERGY: 357600 745.0025 2030.7420 1943.7575 105.1873 -206563.3654 17879.6728 0.0000 0.0000 34463.3034 -149395.6999 300.9766 -183859.0033 -149301.2888 299.3479 -18.7463 15.1579 557986.8618 -8.9560 -8.9486 PRESSURE: 357800 376.806 -32.9227 41.8718 -32.9237 -198.63 -40.186 41.8723 -40.185 123.807 GPRESSURE: 357800 403.898 -12.1406 119.275 -71.9177 -190.905 -2.15769 -21.0214 -94.3729 156.193 PRESSAVG: 357800 34.3322 5.17674 17.0291 5.17676 -46.229 -16.8453 17.029 -16.8453 -2.84536 GPRESSAVG: 357800 33.6212 3.54325 15.6158 10.1874 -45.5516 -18.6556 16.541 -17.7368 -3.2884 TIMING: 357800 CPU: 1067.79, 0.00297069/step Wall: 1067.79, 0.00297069/step, 3.83071 hours remaining, 207.296875 MB of memory in use. ENERGY: 357800 754.1046 1998.3433 1958.0371 100.0386 -206303.0948 17843.5777 0.0000 0.0000 34237.5152 -149411.4783 299.0047 -183648.9935 -149316.9892 298.7169 100.6610 123.0622 557742.8995 -4.9140 -5.0730 PRESSURE: 358000 -277.312 -68.0189 63.1101 -68.0185 -345.371 278.845 63.1097 278.845 -138.194 GPRESSURE: 358000 -223.368 -31.3582 -43.4563 -42.0554 -358.591 283.062 46.9202 243.708 -80.6199 PRESSAVG: 358000 21.9396 -46.2939 -0.257392 -46.2939 68.7778 19.3046 -0.257459 19.3047 -94.6688 GPRESSAVG: 358000 20.6697 -46.4389 -1.03285 -47.6455 69.8267 19.8837 2.53893 19.6312 -94.807 TIMING: 358000 CPU: 1068.38, 0.00295948/step Wall: 1068.38, 0.00295948/step, 3.81608 hours remaining, 207.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 358000 766.3054 2052.3113 1920.9899 110.7000 -205890.1623 17313.9100 0.0000 0.0000 34288.8649 -149437.0807 299.4532 -183725.9457 -149342.9931 299.0657 -253.6253 -220.8596 557097.9723 -1.3171 -1.4368 PRESSURE: 358200 -236.388 5.44855 67.335 5.44828 141.196 -65.8585 67.3349 -65.8592 -109.393 GPRESSURE: 358200 -161.271 -42.4011 39.1438 21.3881 168.479 -35.6885 14.6134 -157.948 -118.658 PRESSAVG: 358200 1.11274 -31.2664 -33.42 -31.2665 31.4928 -4.71324 -33.4199 -4.71327 -12.9707 GPRESSAVG: 358200 1.57327 -30.0433 -32.8961 -34.4803 30.8949 -5.00356 -33.1342 -5.06608 -13.075 TIMING: 358200 CPU: 1068.98, 0.00297428/step Wall: 1068.98, 0.00297428/step, 3.83501 hours remaining, 207.296875 MB of memory in use. ENERGY: 358200 744.9011 2112.7394 1934.8003 112.2976 -206276.1855 17745.3617 0.0000 0.0000 34188.3405 -149437.7448 298.5753 -183626.0854 -149334.1865 298.7351 -68.1949 -37.1501 557051.5023 6.5450 6.4644 PRESSURE: 358400 -255.761 -71.31 -50.9541 -71.3092 61.6434 -131.792 -50.9547 -131.792 -261.267 GPRESSURE: 358400 -205.879 43.2884 5.57155 -155.624 35.2319 -84.081 -26.7971 -150.62 -180.261 PRESSAVG: 358400 -30.686 -4.81118 -25.3054 -4.81106 52.6233 -32.4519 -25.3054 -32.4519 -16.6005 GPRESSAVG: 358400 -29.9358 -5.54563 -24.2762 -1.84888 51.343 -31.1112 -27.0522 -34.3457 -15.5619 TIMING: 358400 CPU: 1069.57, 0.00296633/step Wall: 1069.57, 0.00296633/step, 3.82458 hours remaining, 207.296875 MB of memory in use. ENERGY: 358400 729.6547 2096.9202 1932.4561 105.1766 -206327.1150 17710.2429 0.0000 0.0000 34321.6735 -149430.9911 299.7397 -183752.6646 -149328.5281 299.5788 -151.7950 -116.9693 558941.4350 1.7789 1.9484 PRESSURE: 358600 -17.3616 -42.2695 83.6438 -42.2695 -148.983 -4.07024 83.6441 -4.06905 43.2155 GPRESSURE: 358600 -65.2086 -14.9975 75.2078 -77.4672 -88.0378 26.255 89.1239 -48.8696 133.164 PRESSAVG: 358600 -53.6727 -27.2596 -15.2542 -27.2596 -2.52957 -14.1132 -15.2542 -14.1133 38.0174 GPRESSAVG: 358600 -54.6474 -27.5287 -17.1148 -27.8255 -2.1829 -14.528 -13.4455 -12.1051 38.0915 TIMING: 358600 CPU: 1070.16, 0.00296348/step Wall: 1070.16, 0.00296348/step, 3.82075 hours remaining, 207.296875 MB of memory in use. ENERGY: 358600 696.3014 2023.4019 1975.0468 111.8320 -206294.9017 17860.5577 0.0000 0.0000 34205.5891 -149422.1727 298.7259 -183627.7618 -149329.6080 298.7999 -41.0430 -6.6942 558201.4241 -6.0616 -6.2463 PRESSURE: 358800 148.85 20.487 23.7382 20.4863 44.0156 -39.5496 23.7383 -39.5482 -282.607 GPRESSURE: 358800 163.838 36.1436 -56.5865 119.315 33.9358 -59.3693 111.797 14.7226 -179.355 PRESSAVG: 358800 33.8244 12.148 -10.1202 12.148 -43.3176 -75.396 -10.1202 -75.396 11.0122 GPRESSAVG: 358800 33.9028 10.4226 -10.1311 13.7913 -43.438 -75.4124 -10.2492 -74.759 10.913 TIMING: 358800 CPU: 1070.76, 0.00296289/step Wall: 1070.76, 0.00296289/step, 3.81983 hours remaining, 207.296875 MB of memory in use. ENERGY: 358800 765.3284 2139.9970 1937.9544 116.0486 -206336.6742 17833.4071 0.0000 0.0000 34084.7600 -149459.1787 297.6707 -183543.9387 -149370.6781 298.7798 -29.9136 6.1395 558221.5559 0.5063 0.4593 PRESSURE: 359000 39.9766 -83.9076 59.0077 -83.9067 -52.4093 158.403 59.0069 158.403 231.7 GPRESSURE: 359000 57.6571 -37.9485 124.371 -56.4353 2.04017 154.086 75.655 91.534 263.598 PRESSAVG: 359000 60.6377 -9.30669 29.9936 -9.30676 -27.8564 -20.2483 29.9937 -20.2483 -24.7438 GPRESSAVG: 359000 60.3486 -6.12591 31.0784 -11.6603 -28.1508 -21.0678 29.3206 -19.8385 -24.0756 TIMING: 359000 CPU: 1071.35, 0.00297135/step Wall: 1071.35, 0.00297135/step, 3.83057 hours remaining, 207.296875 MB of memory in use. ENERGY: 359000 698.0444 2055.5568 1953.0787 113.5621 -206416.8928 17850.3118 0.0000 0.0000 34232.1897 -149514.1495 298.9582 -183746.3391 -149414.3420 298.6187 73.0890 107.7653 555674.5105 2.6792 2.7074 PRESSURE: 359200 377.657 25.1392 -0.195685 25.1388 -44.3822 182.876 -0.195677 182.875 77.8438 GPRESSURE: 359200 382.277 -64.0965 -38.2946 149.33 42.0123 204.913 -32.4012 155.025 83.773 PRESSAVG: 359200 24.2281 -0.9361 -58.3941 -0.936015 15.0864 36.3962 -58.394 36.3964 4.92774 GPRESSAVG: 359200 23.7579 -4.43849 -60.2915 0.705134 16.5459 36.4087 -58.8511 35.4866 4.07287 TIMING: 359200 CPU: 1071.95, 0.0029712/step Wall: 1071.95, 0.0029712/step, 3.8302 hours remaining, 207.296875 MB of memory in use. ENERGY: 359200 742.9133 2022.7415 1922.8092 116.1813 -206590.7287 18096.7271 0.0000 0.0000 34189.6029 -149499.7534 298.5863 -183689.3563 -149402.8054 298.5404 137.0395 169.3541 555901.4359 14.7474 14.7922 PRESSURE: 359400 11.1904 -11.4939 181.166 -11.4948 95.9511 -144.526 181.165 -144.527 26.8587 GPRESSURE: 359400 86.8014 -10.0805 193.515 44.8918 105.205 -153.869 164.802 -69.9256 24.6763 PRESSAVG: 359400 3.21341 -1.70209 -24.6179 -1.70217 11.2943 -33.1378 -24.6179 -33.1378 -7.01084 GPRESSAVG: 359400 3.66466 -0.704954 -21.297 -3.21485 10.9566 -33.4099 -25.5764 -34.3398 -7.29197 TIMING: 359400 CPU: 1072.54, 0.00299501/step Wall: 1072.54, 0.00299501/step, 3.86073 hours remaining, 207.296875 MB of memory in use. ENERGY: 359400 752.3951 2150.7825 1921.5802 108.2117 -206613.1135 17865.0764 0.0000 0.0000 34230.1292 -149584.9384 298.9402 -183815.0676 -149490.7504 298.5537 44.6667 72.2277 556780.5780 2.4990 2.4431 PRESSURE: 359600 -230.478 -88.1521 -7.61566 -88.1513 -166.894 33.2363 -7.61641 33.2368 282.663 GPRESSURE: 359600 -205.718 -48.1983 -50.7542 -32.3476 -146.645 -1.66797 -51.6745 57.5987 328.625 PRESSAVG: 359600 -15.3178 63.4445 -48.633 63.4445 13.4785 -8.11986 -48.6331 -8.11989 12.3788 GPRESSAVG: 359600 -15.1758 63.2182 -50.8686 64.8065 12.5561 -8.48883 -47.9365 -8.6735 13.6274 TIMING: 359600 CPU: 1073.14, 0.00295955/step Wall: 1073.14, 0.00295955/step, 3.81486 hours remaining, 207.296875 MB of memory in use. ENERGY: 359600 722.7608 2167.0540 1925.1434 114.4034 -206549.8320 17783.6484 0.0000 0.0000 34290.4072 -149546.4148 299.4667 -183836.8220 -149443.3685 298.9065 -38.2362 -7.9128 556227.9893 3.5131 3.6692 PRESSURE: 359800 -104.952 88.4837 71.5073 88.4846 -173.227 73.0965 71.5072 73.0973 -28.3807 GPRESSURE: 359800 -76.7673 -6.96301 54.6993 77.0706 -116.089 117.106 134.923 47.2789 -8.81931 PRESSAVG: 359800 15.1583 23.1011 21.5586 23.1011 -33.9671 23.7684 21.5586 23.7685 14.4582 GPRESSAVG: 359800 14.1598 23.5351 22.6651 22.0983 -32.7381 22.2976 21.3109 26.731 13.9964 TIMING: 359800 CPU: 1073.73, 0.00295935/step Wall: 1073.73, 0.00295935/step, 3.81443 hours remaining, 207.296875 MB of memory in use. ENERGY: 359800 737.8754 2125.0687 1953.8740 110.6156 -206384.3789 17704.2554 0.0000 0.0000 34324.6969 -149427.9930 299.7661 -183752.6899 -149332.1511 298.6754 -102.1865 -67.2252 556122.2149 -1.4502 -1.5273 PRESSURE: 360000 -189.881 -206.892 -48.2471 -206.892 -218.423 -141.012 -48.2471 -141.012 -152.999 GPRESSURE: 360000 -178.275 -214.834 -99.6307 -196.196 -161.91 -174.315 13.6446 -151.877 -121.915 PRESSAVG: 360000 3.97592 -78.6884 -29.6585 -78.6884 36.4533 -36.8255 -29.6584 -36.8256 -42.7943 GPRESSAVG: 360000 4.2768 -76.7192 -31.4723 -79.5886 36.6405 -34.6574 -27.7741 -38.9974 -42.9625 TIMING: 360000 CPU: 1074.32, 0.00293451/step Wall: 1074.32, 0.00293451/step, 3.78225 hours remaining, 207.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 360000 764.4257 2123.9115 1925.6331 108.8494 -206056.6994 17626.6107 0.0000 0.0000 34144.4056 -149362.8634 298.1916 -183507.2690 -149262.5010 299.5760 -187.1011 -154.0332 557406.5865 -0.7883 -0.6817 PRESSURE: 360200 -119.502 -0.70662 -39.3078 -0.706408 -84.6619 103.483 -39.3074 103.483 -217.506 GPRESSURE: 360200 -101.541 -27.3209 4.46644 19.0988 -44.7234 88.332 -5.54153 133.55 -180.91 PRESSAVG: 360200 -2.54094 27.8001 3.0958 27.8001 50.5483 -50.8202 3.09569 -50.8202 -28.1756 GPRESSAVG: 360200 -2.81686 24.4574 2.38311 28.4164 48.8868 -51.4493 2.2798 -50.0806 -26.3763 TIMING: 360200 CPU: 1074.91, 0.00295552/step Wall: 1074.91, 0.00295552/step, 3.80917 hours remaining, 207.296875 MB of memory in use. ENERGY: 360200 827.2160 2070.2861 1950.8649 107.9481 -206416.3769 17788.5596 0.0000 0.0000 34205.1064 -149466.3957 298.7217 -183671.5021 -149377.3093 298.9734 -140.5566 -109.0583 556989.8019 6.6106 6.5646 LDB: ============= START OF LOAD BALANCING ============== 1078.45 LDB: ============== END OF LOAD BALANCING =============== 1078.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1078.45 LDB: ============= START OF LOAD BALANCING ============== 1078.75 LDB: Largest compute 4796 load 0.026174 is 22.2% of average load 0.118020 LDB: Average compute 0.001730 is 1.5% of average load 0.118020 LDB: TIME 1078.75 LOAD: AVG 0.11802 MAX 0.203425 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.816 MB LDB: TIME 1078.75 LOAD: AVG 0.11802 MAX 0.203425 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.816 MB LDB: TIME 1078.75 LOAD: AVG 0.11802 MAX 0.203425 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.816 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1078.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1078.76 PRESSURE: 360400 348.924 7.147 31.0454 7.14755 186.704 58.8611 31.0469 58.8607 71.4641 GPRESSURE: 360400 363.791 20.5264 27.4731 -89.5869 220.717 112.644 4.24456 41.8836 113.241 PRESSAVG: 360400 -55.6736 12.8583 0.884376 12.8583 85.8005 -15.3765 0.884351 -15.3765 -41.3348 GPRESSAVG: 360400 -54.2947 15.7138 3.85447 12.1747 86.1446 -16.1575 0.774773 -13.6618 -43.0608 TIMING: 360400 CPU: 1075.51, 0.00301481/step Wall: 1075.51, 0.00301481/step, 3.88542 hours remaining, 206.839844 MB of memory in use. ENERGY: 360400 735.8484 2023.5568 1965.7947 114.7439 -206706.4158 18082.2868 0.0000 0.0000 34104.9289 -149679.2563 297.8468 -183784.1852 -149581.4577 298.1108 202.3641 232.5833 557091.5227 -3.7360 -3.7370 PRESSURE: 360600 -1.85893 5.4017 229.146 5.40195 104.492 82.2449 229.145 82.2435 15.1854 GPRESSURE: 360600 20.0593 10.5458 281.248 -65.5088 105.873 0.296619 136.085 129.941 86.493 PRESSAVG: 360600 -15.8053 28.5883 49.0128 28.5883 37.4938 14.5515 49.0129 14.5516 -27.4889 GPRESSAVG: 360600 -15.7692 28.289 46.9573 28.9892 37.7506 14.9545 48.8072 13.2333 -27.7731 TIMING: 360600 CPU: 1076.1, 0.00294747/step Wall: 1076.1, 0.00294747/step, 3.79847 hours remaining, 206.839844 MB of memory in use. ENERGY: 360600 762.7072 2094.9028 1949.3936 102.8607 -206579.9789 18034.9940 0.0000 0.0000 33982.9461 -149652.1745 296.7815 -183635.1206 -149559.5557 298.1270 39.2727 70.8085 557761.2508 -1.9335 -1.9306 PRESSURE: 360800 -287.948 -126.25 53.3383 -126.25 -60.4481 -123.931 53.3364 -123.931 -252.203 GPRESSURE: 360800 -225.209 -71.0765 106.709 -109.825 -81.9788 -108.564 -0.0468659 -96.2595 -200.935 PRESSAVG: 360800 -49.9304 12.3688 13.7787 12.3688 -9.63296 -25.8235 13.7787 -25.8236 40.3503 GPRESSAVG: 360800 -50.1217 13.9123 14.7153 12.0349 -9.87493 -25.6464 12.2666 -26.9828 40.7699 TIMING: 360800 CPU: 1076.69, 0.00294788/step Wall: 1076.69, 0.00294788/step, 3.79884 hours remaining, 206.839844 MB of memory in use. ENERGY: 360800 746.7365 2038.5163 1954.0718 109.6876 -206437.2894 17739.5646 0.0000 0.0000 34179.0224 -149669.6903 298.4939 -183848.7127 -149573.1399 296.7961 -200.1997 -169.3740 559167.7213 -6.4044 -6.4089 PRESSURE: 361000 95.6891 127.69 -91.1467 127.689 38.0628 100.453 -91.1463 100.455 215.39 GPRESSURE: 361000 82.0211 123.986 -206.35 107.19 96.8813 70.0918 -15.3141 104.578 266.961 PRESSAVG: 361000 17.4538 -43.3547 -30.8508 -43.3547 -28.747 -12.5118 -30.8508 -12.5118 27.449 GPRESSAVG: 361000 18.4303 -45.3047 -28.286 -42.3965 -28.1033 -13.7508 -30.5638 -11.9935 26.0457 TIMING: 361000 CPU: 1077.28, 0.00294592/step Wall: 1077.28, 0.00294592/step, 3.79615 hours remaining, 206.839844 MB of memory in use. ENERGY: 361000 772.9594 2072.8124 1889.5362 106.0410 -207072.5316 18282.3717 0.0000 0.0000 34302.6531 -149646.1577 299.5736 -183948.8108 -149543.7253 297.5954 116.3806 148.6211 556153.0267 5.3853 5.4576 PRESSURE: 361200 100.917 -124.552 -77.8345 -124.552 -83.1469 109.732 -77.835 109.734 5.77433 GPRESSURE: 361200 118.903 -88.8533 -108.583 -47.7407 -70.8681 67.111 -40.2228 117.702 79.0024 PRESSAVG: 361200 4.26284 5.25234 -60.5463 5.25249 -16.4082 -41.9422 -60.5463 -41.9422 19.2815 GPRESSAVG: 361200 3.90343 6.31518 -61.4872 2.56658 -16.7399 -40.0995 -59.4042 -42.591 20.1929 TIMING: 361200 CPU: 1077.87, 0.00294301/step Wall: 1077.87, 0.00294301/step, 3.79224 hours remaining, 207.042969 MB of memory in use. ENERGY: 361200 741.7599 2048.3580 1938.4411 116.3949 -206473.2557 17873.5990 0.0000 0.0000 34238.2444 -149516.4584 299.0111 -183754.7028 -149410.5467 298.5897 7.8483 42.3458 557249.7314 2.3787 2.4521 PRESSURE: 361400 1.61514 125.86 -163.301 125.86 -75.5668 1.99868 -163.301 2.00008 -94.6813 GPRESSURE: 361400 18.7467 154.627 -140.449 114.794 -54.7112 -1.22441 -175.867 74.3591 -19.2224 PRESSAVG: 361400 3.24102 34.1479 -46.8904 34.148 -37.8657 31.6025 -46.8904 31.6025 11.3746 GPRESSAVG: 361400 3.97168 32.5057 -47.8683 35.2526 -37.6476 30.8052 -46.2563 31.8363 10.9126 TIMING: 361400 CPU: 1078.45, 0.00294147/step Wall: 1078.45, 0.00294147/step, 3.79009 hours remaining, 207.042969 MB of memory in use. ENERGY: 361400 744.1299 2074.3815 1933.0100 97.9778 -206547.5536 17917.9692 0.0000 0.0000 34107.5262 -149672.5590 297.8695 -183780.0852 -149576.3140 298.4424 -56.2110 -18.3957 557375.6041 -7.7500 -7.5878 PRESSURE: 361600 346.939 42.5951 68.315 42.5938 161.667 118.252 68.3146 118.255 18.5805 GPRESSURE: 361600 357.183 -20.7232 73.594 82.4426 184.684 66.0863 65.9023 180.865 62.1061 PRESSAVG: 361600 -21.2649 44.5798 -21.434 44.5799 5.16403 15.9806 -21.4339 15.9806 33.9467 GPRESSAVG: 361600 -20.971 44.4153 -20.8854 46.8789 4.24988 14.7112 -21.0651 15.8261 34.1264 TIMING: 361600 CPU: 1079.05, 0.00295596/step Wall: 1079.05, 0.00295596/step, 3.80859 hours remaining, 207.042969 MB of memory in use. ENERGY: 361600 741.8383 2040.3442 1931.2163 106.2526 -206679.3136 18107.1408 0.0000 0.0000 34025.7426 -149726.7789 297.1553 -183752.5215 -149638.5464 297.8460 175.7289 201.3243 557162.1287 5.9486 5.8017 PRESSURE: 361800 -392.856 84.9688 -64.7622 84.9692 167.61 15.2409 -64.7625 15.2411 -122.911 GPRESSURE: 361800 -298.869 40.9519 -81.9368 60.0185 171.039 30.2031 -103.209 -57.1718 -123.713 PRESSAVG: 361800 -75.3609 -13.3047 -68.5252 -13.3047 38.0335 46.7743 -68.5252 46.7742 53.1013 GPRESSAVG: 361800 -76.4442 -11.7468 -70.2014 -15.5085 38.5564 46.4971 -67.835 48.6977 54.1877 TIMING: 361800 CPU: 1079.63, 0.00292194/step Wall: 1079.63, 0.00292194/step, 3.76459 hours remaining, 207.042969 MB of memory in use. ENERGY: 361800 758.7382 2072.3422 1931.1934 112.0986 -206076.0793 17752.9299 0.0000 0.0000 33937.8437 -149510.9334 296.3876 -183448.7771 -149412.4597 298.1275 -116.0521 -83.8476 558089.5593 5.2580 5.4333 PRESSURE: 362000 3.79459 60.3564 -19.6282 60.3565 127.678 -88.6377 -19.6276 -88.6383 354.994 GPRESSURE: 362000 64.7592 25.8863 -71.9756 130.857 213.301 -81.3751 30.901 -129.446 308.669 PRESSAVG: 362000 -61.0877 48.0817 4.25474 48.0817 19.3574 35.2247 4.25482 35.2247 10.4152 GPRESSAVG: 362000 -61.0417 46.5225 3.33641 49.963 20.0576 36.5206 5.05595 33.5054 8.81019 TIMING: 362000 CPU: 1080.22, 0.0029326/step Wall: 1080.22, 0.0029326/step, 3.77816 hours remaining, 207.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 362000 743.3384 2027.0977 1948.9270 102.2324 -206158.2839 17940.9360 0.0000 0.0000 34073.5609 -149322.1915 297.5729 -183395.7524 -149225.5645 298.0411 162.1556 195.5763 556372.2723 -10.4384 -10.7246 PRESSURE: 362200 -8.78728 24.85 47.0405 24.8508 96.1707 158.311 47.0413 158.312 226.316 GPRESSURE: 362200 34.7628 -12.7438 37.2359 -12.2799 52.3151 150.901 33.4983 139.268 315.457 PRESSAVG: 362200 -7.28586 51.3814 -2.15041 51.3814 53.2372 10.9325 -2.15039 10.9325 -19.2665 GPRESSAVG: 362200 -6.29005 52.5645 -0.191281 50.3082 52.6427 12.3982 -4.4708 9.76194 -20.0062 TIMING: 362200 CPU: 1080.81, 0.00295212/step Wall: 1080.81, 0.00295212/step, 3.80315 hours remaining, 207.042969 MB of memory in use. ENERGY: 362200 701.7824 2146.7011 1952.5017 111.5148 -206509.5932 17982.0853 0.0000 0.0000 34237.3394 -149377.6685 299.0032 -183615.0079 -149291.2584 298.2486 104.5666 134.1782 557026.0717 8.8949 8.7822 PRESSURE: 362400 118.634 45.7605 146.954 45.7607 -227.205 -224.77 146.955 -224.77 144.387 GPRESSURE: 362400 215.182 31.3258 182.139 6.08442 -198.053 -160.016 158.776 -220.278 113.928 PRESSAVG: 362400 28.945 41.1869 26.3734 41.187 -52.2269 41.6997 26.3735 41.6997 77.3749 GPRESSAVG: 362400 27.516 43.0099 25.3571 41.5252 -51.0707 40.278 27.0872 42.4026 77.4493 TIMING: 362400 CPU: 1081.39, 0.00294036/step Wall: 1081.39, 0.00294036/step, 3.78784 hours remaining, 207.042969 MB of memory in use. ENERGY: 362400 746.4529 2079.1481 1918.0180 115.1292 -206101.3077 17681.5813 0.0000 0.0000 34203.4373 -149357.5410 298.7071 -183560.9782 -149262.9994 298.7367 11.9385 43.6858 556374.8260 18.0310 17.9649 PRESSURE: 362600 -346.884 -116.516 -194.993 -116.516 -157.387 82.6735 -194.993 82.673 -321.066 GPRESSURE: 362600 -323.738 -98.4301 -110.5 -170.333 -179.556 24.8852 -121.838 67.4432 -225.573 PRESSAVG: 362600 -45.1617 10.8441 11.5259 10.8441 -58.1506 10.5805 11.5259 10.5805 108.143 GPRESSAVG: 362600 -45.0832 8.91846 13.2598 10.3019 -58.701 8.9968 10.1726 10.8671 108.712 TIMING: 362600 CPU: 1081.98, 0.00293953/step Wall: 1081.98, 0.00293953/step, 3.7866 hours remaining, 207.042969 MB of memory in use. ENERGY: 362600 743.3381 2067.4488 1926.1218 120.0475 -205802.4225 17415.4498 0.0000 0.0000 34330.2103 -149199.8062 299.8143 -183530.0165 -149099.3510 299.2864 -275.1121 -242.9554 559414.5811 1.6102 1.6426 PRESSURE: 362800 -155.488 25.8894 70.398 25.8874 -256.582 -39.5725 70.3964 -39.5745 156.933 GPRESSURE: 362800 -97.5551 -1.45655 71.7052 -16.9288 -214.951 -34.5085 44.7688 -35.1386 158.252 PRESSAVG: 362800 0.79617 -47.2882 41.8741 -47.2883 -49.1794 9.85176 41.8741 9.85163 63.9913 GPRESSAVG: 362800 0.778221 -48.0537 41.0184 -48.8682 -50.5105 11.6347 42.5895 9.22327 64.4427 TIMING: 362800 CPU: 1082.58, 0.00296195/step Wall: 1082.58, 0.00296195/step, 3.81532 hours remaining, 207.242188 MB of memory in use. ENERGY: 362800 758.1772 1985.9987 1935.5430 98.9953 -206055.5849 17723.8207 0.0000 0.0000 34260.7909 -149292.2590 299.2080 -183553.0499 -149190.3757 298.6558 -85.0456 -51.4178 557560.0622 5.2027 4.9035 PRESSURE: 363000 -13.9441 -101.301 -49.1032 -101.301 -12.7487 -26.0289 -49.1032 -26.0303 52.6078 GPRESSURE: 363000 -15.0088 -125.027 -34.9238 -145.586 61.1957 28.0347 -9.0095 -15.5855 68.898 PRESSAVG: 363000 -19.304 6.84282 14.0223 6.84286 -6.46635 12.2047 14.0222 12.2047 18.3893 GPRESSAVG: 363000 -19.235 7.93298 13.8369 5.30157 -4.83342 9.61507 17.1624 14.521 16.7154 TIMING: 363000 CPU: 1083.16, 0.0029407/step Wall: 1083.16, 0.0029407/step, 3.78779 hours remaining, 207.242188 MB of memory in use. ENERGY: 363000 749.2023 2102.3056 1918.3824 102.8437 -206097.3770 17761.6033 0.0000 0.0000 34403.4258 -149059.6141 300.4537 -183463.0399 -148965.9641 299.2879 8.6383 38.3616 557237.4865 -2.4604 -2.4510 PRESSURE: 363200 -8.89965 83.2433 40.8589 83.2431 -97.9573 38.1765 40.8591 38.1752 -328.895 GPRESSURE: 363200 0.0877466 66.1702 -33.0294 85.2386 -45.1369 34.1065 45.2083 5.88688 -298.77 PRESSAVG: 363200 5.96224 -31.726 -14.9265 -31.726 36.0613 -22.6997 -14.9265 -22.6996 -39.2697 GPRESSAVG: 363200 6.56408 -30.4522 -16.5914 -29.2185 35.0518 -20.401 -16.9208 -24.0777 -38.5192 TIMING: 363200 CPU: 1083.75, 0.00292709/step Wall: 1083.75, 0.00292709/step, 3.7701 hours remaining, 207.242188 MB of memory in use. ENERGY: 363200 775.2654 2095.5203 1953.9712 96.8221 -205896.8901 17648.8614 0.0000 0.0000 34229.7889 -149096.6609 298.9373 -183326.4498 -148999.8522 299.8856 -145.2508 -114.6065 558104.3041 0.9179 1.0322 PRESSURE: 363400 -10.51 -144.243 31.3721 -144.243 -250.336 61.7277 31.3738 61.7283 -151.155 GPRESSURE: 363400 21.7211 -122.213 -16.9929 -55.7063 -252.805 117.689 -29.665 55.8912 -91.6023 PRESSAVG: 363400 -54.4518 -2.90899 1.09617 -2.90896 2.16061 -23.1753 1.09626 -23.1751 17.8885 GPRESSAVG: 363400 -54.4873 -4.96134 2.54663 -2.39128 3.16634 -22.7493 -0.0288739 -23.2827 17.6227 TIMING: 363400 CPU: 1084.34, 0.00293289/step Wall: 1084.34, 0.00293289/step, 3.7774 hours remaining, 207.242188 MB of memory in use. ENERGY: 363400 726.3845 2101.4744 1920.4574 107.5406 -206209.6730 17636.9394 0.0000 0.0000 34442.9617 -149273.9151 300.7990 -183716.8768 -149167.2857 299.8187 -137.3336 -107.5620 557712.7875 -11.4676 -11.2328 PRESSURE: 363600 -80.8403 47.6741 138.495 47.6743 -51.902 1.33255 138.495 1.33173 -74.2534 GPRESSURE: 363600 -17.4725 113.669 69.1169 5.2524 -62.1335 -31.4125 132.862 -13.9176 -30.8913 PRESSAVG: 363600 49.9113 45.8617 38.3274 45.8616 -52.9609 6.44329 38.3273 6.44339 41.4856 GPRESSAVG: 363600 50.7712 46.514 39.4603 43.5822 -54.3772 5.83664 39.5207 5.13003 42.5135 TIMING: 363600 CPU: 1084.92, 0.0029215/step Wall: 1084.92, 0.0029215/step, 3.76257 hours remaining, 207.242188 MB of memory in use. ENERGY: 363600 758.6362 2049.0072 1926.8308 106.0125 -206352.2693 17874.2483 0.0000 0.0000 34523.4995 -149114.0347 301.5023 -183637.5342 -149015.9259 299.8171 -68.9986 -36.8324 558813.3732 12.8120 12.9692 PRESSURE: 363800 30.6234 125.981 -27.6588 125.983 126.77 197.403 -27.6591 197.402 160.399 GPRESSURE: 363800 122.655 49.3204 -69.7115 97.3989 130.886 194.43 36.6659 132.748 170.788 PRESSAVG: 363800 -10.8959 12.9535 -1.90608 12.9536 -37.0164 -69.5669 -1.90602 -69.567 9.12159 GPRESSAVG: 363800 -11.4785 14.6171 -3.79368 13.0475 -35.5884 -68.6527 -1.67898 -69.5981 8.49182 TIMING: 363800 CPU: 1085.51, 0.00293123/step Wall: 1085.51, 0.00293123/step, 3.77493 hours remaining, 207.242188 MB of memory in use. ENERGY: 363800 745.3581 2035.9148 1936.1787 104.7025 -206232.3531 17863.8570 0.0000 0.0000 34499.4553 -149046.8867 301.2923 -183546.3420 -148947.3725 300.1212 105.9307 141.4430 557827.2855 -12.9302 -12.8584 PRESSURE: 364000 -176.86 -211.515 73.2318 -211.517 -111.101 -205.938 73.2326 -205.938 -32.3192 GPRESSURE: 364000 -179.011 -153.712 100.377 -222.614 -79.1087 -163.75 103.277 -311.543 35.0856 PRESSAVG: 364000 22.7958 -12.7318 7.01977 -12.7318 13.1034 -26.087 7.01977 -26.0869 17.4134 GPRESSAVG: 364000 22.9753 -13.5213 8.574 -11.5193 11.9085 -26.8631 7.23175 -25.2732 18.0502 TIMING: 364000 CPU: 1086.09, 0.0029446/step Wall: 1086.09, 0.0029446/step, 3.79199 hours remaining, 207.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 364000 736.0637 2104.7422 1947.5009 112.8168 -205533.6804 17436.0392 0.0000 0.0000 34102.8346 -149093.6830 297.8285 -183196.5177 -148997.2621 299.9513 -106.7602 -74.3447 558126.4874 17.7709 17.6447 PRESSURE: 364200 -486.506 10.1312 -47.2813 10.1319 -253.674 -207.543 -47.2815 -207.544 0.499299 GPRESSURE: 364200 -451.874 38.8544 -53.2843 -16.0045 -216.23 -151.869 -57.3994 -212.034 25.267 PRESSAVG: 364200 -77.2783 11.6442 -9.00791 11.6443 24.2033 -19.4492 -9.00782 -19.4492 63.4946 GPRESSAVG: 364200 -76.7314 11.8622 -7.63806 11.1277 23.8272 -22.0208 -9.05363 -18.4146 63.313 TIMING: 364200 CPU: 1086.69, 0.0029563/step Wall: 1086.69, 0.0029563/step, 3.80689 hours remaining, 207.242188 MB of memory in use. ENERGY: 364200 792.1095 2096.4239 1911.1855 105.8263 -205540.2638 17426.3325 0.0000 0.0000 34345.2408 -148863.1452 299.9455 -183208.3860 -148768.0646 299.6431 -246.5603 -214.2787 558168.6055 3.4732 3.4696 LDB: ============= START OF LOAD BALANCING ============== 1090.23 LDB: ============== END OF LOAD BALANCING =============== 1090.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1090.23 LDB: ============= START OF LOAD BALANCING ============== 1090.53 LDB: Largest compute 4795 load 0.027209 is 23.1% of average load 0.118004 LDB: Average compute 0.001722 is 1.5% of average load 0.118004 LDB: TIME 1090.53 LOAD: AVG 0.118004 MAX 0.20435 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.762 MB LDB: TIME 1090.53 LOAD: AVG 0.118004 MAX 0.20435 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.766 MB LDB: TIME 1090.53 LOAD: AVG 0.118004 MAX 0.20435 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.766 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1090.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1090.54 PRESSURE: 364400 -141.035 261.689 -168.367 261.69 40.7476 37.0275 -168.367 37.0283 -64.4514 GPRESSURE: 364400 -100.85 186.805 -87.5095 334.094 81.3524 23.2847 -153.583 98.6711 -44.8547 PRESSAVG: 364400 -70.9699 31.3399 -39.6676 31.3399 58.1584 -25.9521 -39.6676 -25.9521 5.88083 GPRESSAVG: 364400 -72.2609 29.4111 -41.6592 32.8488 59.6099 -24.161 -40.0829 -23.5311 5.53579 TIMING: 364400 CPU: 1087.29, 0.00301235/step Wall: 1087.29, 0.00301235/step, 3.87891 hours remaining, 206.273438 MB of memory in use. ENERGY: 364400 724.1300 2095.5046 1918.9814 105.0096 -205693.5671 17602.0119 0.0000 0.0000 34325.3117 -148922.6179 299.7715 -183247.9296 -148822.2337 300.1628 -54.9128 -21.4508 556490.8143 -2.3102 -2.3717 PRESSURE: 364600 13.0306 -18.9333 105.835 -18.9345 8.88683 -116.603 105.835 -116.606 321.337 GPRESSURE: 364600 72.119 37.7123 218.559 -27.9211 80.6698 -62.981 118.936 -72.3471 287.298 PRESSAVG: 364600 -17.6601 37.8676 -46.8374 37.8676 33.8654 27.7584 -46.8374 27.7583 -26.0801 GPRESSAVG: 364600 -16.7629 40.1213 -46.3748 35.6148 32.8309 28.6032 -47.3935 25.7716 -26.2282 TIMING: 364600 CPU: 1087.88, 0.0029668/step Wall: 1087.88, 0.0029668/step, 3.82008 hours remaining, 206.273438 MB of memory in use. ENERGY: 364600 729.6293 2125.3889 1908.5831 105.8431 -205885.4464 17748.9643 0.0000 0.0000 34376.8242 -148890.2135 300.2214 -183267.0378 -148799.2226 300.3569 114.4180 146.6955 556784.7388 -3.2916 -3.3868 PRESSURE: 364800 141.333 6.00421 195.455 6.0036 143.201 109.474 195.458 109.474 11.9465 GPRESSURE: 364800 227.072 73.5635 197.084 -52.6865 148.279 70.7227 60.777 144.165 14.6527 PRESSAVG: 364800 20.9633 -17.8266 18.387 -17.8266 34.397 15.1334 18.3871 15.1334 -66.8819 GPRESSAVG: 364800 20.4774 -18.1963 16.9282 -18.4436 34.6182 13.6648 19.2098 15.1053 -66.9463 TIMING: 364800 CPU: 1088.48, 0.00299085/step Wall: 1088.48, 0.00299085/step, 3.85089 hours remaining, 206.273438 MB of memory in use. ENERGY: 364800 726.5939 2089.0417 1938.8619 102.3661 -205905.7003 17703.7141 0.0000 0.0000 34353.3930 -148991.7297 300.0167 -183345.1227 -148897.2572 301.1962 98.8270 130.0012 557318.2819 -3.8405 -3.9502 PRESSURE: 365000 -84.9294 -131.487 15.4799 -131.486 18.4694 32.5598 15.4801 32.5613 25.7521 GPRESSURE: 365000 -86.4763 -64.2088 21.8635 -193.13 85.3577 39.363 -32.4726 67.846 63.1669 PRESSAVG: 365000 34.5099 -10.6564 -18.9225 -10.6564 -6.35155 -10.5205 -18.9224 -10.5206 -38.4688 GPRESSAVG: 365000 34.0395 -11.0335 -19.2893 -10.1508 -6.76177 -7.97777 -17.5015 -12.7918 -38.0901 TIMING: 365000 CPU: 1089.08, 0.00299435/step Wall: 1089.08, 0.00299435/step, 3.85523 hours remaining, 206.273438 MB of memory in use. ENERGY: 365000 734.3015 2089.0685 1927.8798 118.0957 -206060.7244 17792.7905 0.0000 0.0000 34419.6417 -148978.9466 300.5953 -183398.5883 -148882.3079 300.0454 -13.5693 20.6828 557433.1888 -3.4368 -3.6041 PRESSURE: 365200 55.3155 -62.4471 -132.611 -62.4478 -36.3112 -37.3806 -132.611 -37.3801 43.9195 GPRESSURE: 365200 64.6294 -48.3347 -128.452 -26.0046 1.36752 -99.0639 -70.6118 14.2796 95.4409 PRESSAVG: 365200 -68.7145 -15.682 -33.2231 -15.682 42.2041 -6.22896 -33.2231 -6.22899 8.88582 GPRESSAVG: 365200 -68.7944 -15.9249 -31.7215 -14.7749 42.4127 -9.06214 -34.5841 -3.26008 8.73853 TIMING: 365200 CPU: 1089.68, 0.00298188/step Wall: 1089.68, 0.00298188/step, 3.839 hours remaining, 206.273438 MB of memory in use. ENERGY: 365200 745.5665 2137.5868 1922.3801 119.1156 -205930.8053 17702.2200 0.0000 0.0000 34252.9710 -149050.9654 299.1397 -183303.9364 -148951.3116 299.9018 20.9746 53.8126 556945.1931 -5.8749 -5.8811 PRESSURE: 365400 -78.5121 67.7571 69.6677 67.7577 169.13 21.7762 69.6673 21.7762 -181.669 GPRESSURE: 365400 -51.1918 148.491 75.3717 -22.3379 185.005 -42.4695 91.1538 29.252 -121.377 PRESSAVG: 365400 -44.866 17.2724 -39.6789 17.2724 40.0626 1.44432 -39.6788 1.4443 40.8086 GPRESSAVG: 365400 -44.7287 18.5143 -38.2731 16.7011 40.1813 4.25133 -40.8709 -0.657469 40.6886 TIMING: 365400 CPU: 1090.27, 0.00294903/step Wall: 1090.27, 0.00294903/step, 3.79655 hours remaining, 206.273438 MB of memory in use. ENERGY: 365400 753.3316 2027.2334 1903.9771 116.3831 -206023.5759 17738.7400 0.0000 0.0000 34399.3191 -149084.5916 300.4178 -183483.9107 -148987.4155 299.7077 -30.3501 4.1452 555931.6487 12.0017 12.0471 PRESSURE: 365600 -15.7789 -111.938 128.453 -111.939 -28.0501 111.855 128.454 111.856 256.674 GPRESSURE: 365600 24.2318 -146.39 80.679 -59.5686 7.0919 107.237 97.7653 121.156 283.787 PRESSAVG: 365600 -1.27663 63.7303 49.3963 63.7303 1.68493 32.5486 49.3963 32.5486 7.12823 GPRESSAVG: 365600 -0.946695 62.7407 47.8898 65.1439 0.961226 30.3549 50.0707 33.8592 7.64667 TIMING: 365600 CPU: 1090.86, 0.00294995/step Wall: 1090.86, 0.00294995/step, 3.79757 hours remaining, 206.273438 MB of memory in use. ENERGY: 365600 711.0192 2114.0194 1937.9827 106.2626 -206235.1328 17785.6232 0.0000 0.0000 34452.8988 -149127.3267 300.8857 -183580.2255 -149024.5686 299.8271 70.9485 105.0370 555475.8779 2.5122 2.5537 PRESSURE: 365800 40.5056 10.7918 166.162 10.7932 273.52 30.5451 166.162 30.5452 -84.7111 GPRESSURE: 365800 59.0163 19.338 88.9707 -13.1499 283.214 -1.57053 163.657 82.0232 -13.6098 PRESSAVG: 365800 -23.302 -15.7803 26.2654 -15.7803 -7.45482 31.8416 26.2653 31.8415 34.3074 GPRESSAVG: 365800 -22.6977 -17.5256 25.5048 -17.5036 -7.00032 32.9095 27.4863 29.9743 33.8354 TIMING: 365800 CPU: 1091.45, 0.00296073/step Wall: 1091.45, 0.00296073/step, 3.81128 hours remaining, 206.273438 MB of memory in use. ENERGY: 365800 730.5030 2037.0024 1934.6354 119.7343 -205792.5799 17738.5789 0.0000 0.0000 34254.4765 -148977.6495 299.1529 -183232.1259 -148883.6712 300.0681 76.4383 109.5400 557258.2273 1.1835 1.3791 PRESSURE: 366000 119.276 -38.0584 -32.9458 -38.0582 -33.4187 -71.4518 -32.9463 -71.4527 161.405 GPRESSURE: 366000 121.44 -110.947 49.4244 -18.2892 -53.3794 -141.94 -72.2562 50.0479 268.1 PRESSAVG: 366000 -32.7445 -61.1195 11.0531 -61.1195 31.482 57.7672 11.0531 57.7672 31.9778 GPRESSAVG: 366000 -34.8226 -59.3078 13.4809 -61.0352 32.3245 55.4107 10.0289 60.1222 32.3149 TIMING: 366000 CPU: 1092.04, 0.00297148/step Wall: 1092.04, 0.00297148/step, 3.82495 hours remaining, 206.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 366000 739.9254 2090.1958 1949.3000 104.8330 -206018.4963 17808.7864 0.0000 0.0000 34358.9567 -148966.4989 300.0653 -183325.4556 -148872.9654 301.1427 82.4207 112.0533 557349.8763 10.2384 9.9389 PRESSURE: 366200 -50.2766 -137.791 68.0048 -137.789 80.8889 -40.2297 68.004 -40.2282 -93.8474 GPRESSURE: 366200 -25.8137 -192 97.3724 -89.4626 117.202 -66.6265 95.8559 21.0229 -47.8937 PRESSAVG: 366200 42.8175 43.4328 -33.5662 43.4328 -56.4013 57.7608 -33.5662 57.7609 6.73019 GPRESSAVG: 366200 42.823 43.8612 -36.2452 43.1906 -56.9131 58.8822 -33.468 54.9894 6.63258 TIMING: 366200 CPU: 1092.63, 0.00296207/step Wall: 1092.63, 0.00296207/step, 3.81267 hours remaining, 206.273438 MB of memory in use. ENERGY: 366200 706.8962 2113.8301 1926.9359 118.8705 -206135.7556 17872.7542 0.0000 0.0000 34464.5332 -148931.9355 300.9873 -183396.4687 -148841.0804 300.2022 -21.0784 14.4983 556569.7846 -2.2845 -2.4858 PRESSURE: 366400 147.856 -62.3593 -76.7842 -62.3593 -15.8549 -9.37347 -76.7842 -9.37462 84.5049 GPRESSURE: 366400 153.106 -31.04 -62.8353 -52.5836 -8.32877 -50.888 -36.6071 -25.7399 168.782 PRESSAVG: 366400 32.2759 -1.3652 -6.38344 -1.36513 1.93165 35.0858 -6.38341 35.0858 -41.3024 GPRESSAVG: 366400 31.8938 -2.97486 -5.42664 -0.667705 2.02245 33.2957 -7.51407 36.9881 -40.9951 TIMING: 366400 CPU: 1093.23, 0.00299844/step Wall: 1093.23, 0.00299844/step, 3.85932 hours remaining, 206.273438 MB of memory in use. ENERGY: 366400 743.3294 2080.1463 1950.3827 109.3764 -206090.6215 17931.5437 0.0000 0.0000 34404.7183 -148871.1247 300.4650 -183275.8430 -148780.0411 300.2691 72.1687 104.5195 556725.6339 -2.3649 -2.3596 PRESSURE: 366600 -194.437 25.0755 54.5716 25.0745 221.898 110.251 54.5713 110.252 -108.432 GPRESSURE: 366600 -150.866 25.2206 12.1638 7.13903 255.022 -0.792997 15.7449 142.144 -84.9758 PRESSAVG: 366600 -19.5188 19.7613 4.83769 19.7614 1.00651 16.0244 4.83774 16.0245 5.56304 GPRESSAVG: 366600 -17.9929 23.1042 4.01517 18.0847 1.37512 19.0958 5.26954 15.3728 4.38927 TIMING: 366600 CPU: 1093.83, 0.00298257/step Wall: 1093.83, 0.00298257/step, 3.83874 hours remaining, 206.273438 MB of memory in use. ENERGY: 366600 772.5442 2115.4266 1930.8780 116.8200 -205949.8314 17714.6688 0.0000 0.0000 34408.9669 -148890.5269 300.5021 -183299.4937 -148787.2164 300.1443 -26.9903 6.3934 557284.7505 -4.3164 -4.0762 PRESSURE: 366800 24.2203 225.166 -96.847 225.166 -45.2041 5.47565 -96.8463 5.47495 134.903 GPRESSURE: 366800 23.2012 250.836 -115.644 180.889 -10.0442 -21.0123 14.1793 123.229 178.798 PRESSAVG: 366800 -19.6349 31.8279 30.1381 31.8279 40.5836 37.6829 30.1381 37.6829 10.6111 GPRESSAVG: 366800 -21.3116 31.4278 30.594 32.0283 42.3376 35.7282 31.251 37.6781 10.4501 TIMING: 366800 CPU: 1094.43, 0.00299352/step Wall: 1094.43, 0.00299352/step, 3.85266 hours remaining, 206.273438 MB of memory in use. ENERGY: 366800 733.9402 2150.2484 1948.8408 111.3952 -205938.7327 17616.5294 0.0000 0.0000 34314.6119 -149063.1669 299.6780 -183377.7788 -148970.6456 300.9922 37.9729 63.9851 557288.2005 10.5199 10.4920 PRESSURE: 367000 -164.551 -10.0734 8.01156 -10.0749 92.9035 -56.1191 8.01134 -56.1185 156.27 GPRESSURE: 367000 -115.904 16.5668 9.48963 -59.5288 138.321 15.6663 -62.5362 -37.013 146.69 PRESSAVG: 367000 -5.06464 28.8634 56.6495 28.8635 -24.6217 -10.8013 56.6494 -10.8012 17.3986 GPRESSAVG: 367000 -3.71235 27.1174 56.4622 29.5929 -26.4725 -10.0451 56.3841 -11.2321 17.5705 TIMING: 367000 CPU: 1095.03, 0.00298819/step Wall: 1095.03, 0.00298819/step, 3.84564 hours remaining, 206.273438 MB of memory in use. ENERGY: 367000 714.8549 2128.3219 1961.3545 106.5177 -206049.3467 17814.1955 0.0000 0.0000 34304.4928 -149019.6094 299.5897 -183324.1023 -148922.6082 299.9506 28.2073 56.3687 558148.6947 -4.0959 -4.2048 PRESSURE: 367200 221.165 -11.2159 -45.4115 -11.217 -262.921 112.751 -45.4104 112.753 -27.5859 GPRESSURE: 367200 175.404 -44.7656 -20.2336 60.7996 -220.761 147.75 -46.9244 107.364 63.7726 PRESSAVG: 367200 -46.5479 20.1868 34.6599 20.1869 -57.7331 45.9609 34.6599 45.9609 64.1607 GPRESSAVG: 367200 -47.5933 20.3266 35.1672 19.2429 -58.1944 46.057 34.437 45.308 65.5141 TIMING: 367200 CPU: 1095.63, 0.00300701/step Wall: 1095.63, 0.00300701/step, 3.86969 hours remaining, 206.273438 MB of memory in use. ENERGY: 367200 723.5350 2146.8907 1934.8165 118.8840 -206248.8416 17801.9517 0.0000 0.0000 34539.5841 -148983.1796 301.6428 -183522.7637 -148881.6335 299.8580 -23.1138 6.1384 557103.7675 -13.3735 -13.4245 PRESSURE: 367400 199.965 3.65416 -34.2946 3.6524 254.763 -68.0192 -34.2939 -68.0201 20.8604 GPRESSURE: 367400 240.523 16.5341 -37.2294 -22.1591 256.922 -192.501 -49.5749 52.3705 87.8353 PRESSAVG: 367400 -2.2511 -19.6324 25.3516 -19.6323 35.9442 11.9958 25.3515 11.9958 -5.22395 GPRESSAVG: 367400 -1.61529 -19.8198 26.4357 -18.1316 36.4283 12.3638 25.3008 13.8698 -6.38119 TIMING: 367400 CPU: 1096.22, 0.00298066/step Wall: 1096.22, 0.00298066/step, 3.83562 hours remaining, 206.273438 MB of memory in use. ENERGY: 367400 739.3929 2086.6605 1964.7895 119.5448 -206268.7944 17987.0161 0.0000 0.0000 34284.5557 -149086.8350 299.4156 -183371.3908 -148990.4074 300.2839 158.5295 195.0934 558126.8809 9.4897 9.4773 PRESSURE: 367600 82.741 -60.4928 4.88789 -60.493 -241.565 -105.211 4.88776 -105.211 -47.7283 GPRESSURE: 367600 98.8047 -40.2051 13.3612 -111.68 -163.302 -105.86 -52.5854 -60.697 -45.003 PRESSAVG: 367600 -55.2211 5.16965 6.22072 5.16972 16.0326 18.5799 6.22075 18.5799 54.1441 GPRESSAVG: 367600 -55.5538 6.6662 6.06924 4.47502 16.4673 20.3101 5.08593 17.8104 54.1916 TIMING: 367600 CPU: 1096.82, 0.00299562/step Wall: 1096.82, 0.00299562/step, 3.85469 hours remaining, 206.273438 MB of memory in use. ENERGY: 367600 756.2965 2086.2584 1942.0331 110.7728 -205874.4356 17710.5960 0.0000 0.0000 34228.7479 -149039.7309 298.9282 -183268.4788 -148937.1304 299.3182 -68.8509 -36.5000 558363.7892 4.9852 5.0350 PRESSURE: 367800 -156.697 -53.0566 7.11673 -53.0554 -171.638 -51.9427 7.1166 -51.9421 14.9669 GPRESSURE: 367800 -114.394 -105.555 58.697 -70.9587 -141.014 -2.13964 15.4118 -122.486 46.906 PRESSAVG: 367800 62.6147 48.9116 -4.94837 48.9116 -68.826 -38.9804 -4.94837 -38.9805 -18.2831 GPRESSAVG: 367800 61.2988 49.0803 -5.71841 47.428 -67.5965 -41.6341 -5.68497 -38.0436 -17.9589 TIMING: 367800 CPU: 1097.42, 0.00296547/step Wall: 1097.42, 0.00296547/step, 3.81574 hours remaining, 206.273438 MB of memory in use. ENERGY: 367800 738.6987 2094.0085 1938.9519 115.4676 -206316.5333 17801.8969 0.0000 0.0000 34368.1989 -149259.3108 300.1460 -183627.5097 -149155.3433 299.3536 -104.4560 -69.5009 558127.0738 -8.1648 -8.0856 PRESSURE: 368000 240.873 46.1147 20.0821 46.1135 27.1762 35.7158 20.0819 35.7144 201.871 GPRESSURE: 368000 277.332 -2.76178 57.4318 -3.02599 7.70801 36.8365 17.12 70.8998 271.183 PRESSAVG: 368000 31.9628 -17.7287 -18.2223 -17.7287 -14.0338 -9.28877 -18.2223 -9.28875 -55.4792 GPRESSAVG: 368000 31.6086 -18.468 -16.8027 -15.0321 -14.7554 -5.42391 -16.8194 -11.1945 -54.6315 TIMING: 368000 CPU: 1098.01, 0.00298858/step Wall: 1098.01, 0.00298858/step, 3.84531 hours remaining, 206.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 368000 747.2667 2087.7742 1950.4802 111.1456 -206270.9630 18052.0282 0.0000 0.0000 34108.0145 -149214.2536 297.8738 -183322.2682 -149118.3189 300.1989 156.6402 185.4075 558006.5142 -12.5167 -12.5928 PRESSURE: 368200 103.971 64.2485 9.39177 64.2491 -111.294 -106.983 9.39069 -106.984 77.2522 GPRESSURE: 368200 104.434 -48.8948 -121.675 175.207 -39.3862 -141.511 71.2393 -123.985 108.162 PRESSAVG: 368200 27.9547 -14.1798 -6.2035 -14.1797 -6.92003 -31.6429 -6.20353 -31.6429 12.0333 GPRESSAVG: 368200 29.8308 -13.414 -7.93946 -16.1938 -7.974 -32.4257 -6.26277 -31.8508 11.6491 TIMING: 368200 CPU: 1098.61, 0.0029781/step Wall: 1098.61, 0.0029781/step, 3.83165 hours remaining, 206.273438 MB of memory in use. ENERGY: 368200 740.3340 2066.1721 1965.4658 117.1374 -206441.8199 17997.2921 0.0000 0.0000 34369.8122 -149185.6064 300.1601 -183555.4185 -149093.3355 299.6394 23.3096 57.7366 557848.9979 11.0227 11.1687 LDB: ============= START OF LOAD BALANCING ============== 1102.16 LDB: ============== END OF LOAD BALANCING =============== 1102.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1102.16 LDB: ============= START OF LOAD BALANCING ============== 1102.45 LDB: Largest compute 4795 load 0.027678 is 23.5% of average load 0.118001 LDB: Average compute 0.001737 is 1.5% of average load 0.118001 LDB: TIME 1102.46 LOAD: AVG 0.118001 MAX 0.203466 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.555 MB LDB: TIME 1102.46 LOAD: AVG 0.118001 MAX 0.203466 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.582 MB LDB: TIME 1102.46 LOAD: AVG 0.118001 MAX 0.203466 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.582 MB LDB: ============== END OF LOAD BALANCING =============== 1102.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1102.46 PRESSURE: 368400 -53.1141 98.8255 -179.568 98.8262 47.8946 -91.3167 -179.568 -91.3166 52.1918 GPRESSURE: 368400 -25.0643 128.966 -89.4732 118.402 82.042 -119.949 -226.683 -112.502 86.3142 PRESSAVG: 368400 -7.5348 15.3005 24.1102 15.3005 -32.9183 -3.73727 24.1101 -3.73731 52.1996 GPRESSAVG: 368400 -8.02991 14.4625 24.3799 15.3983 -32.3495 -6.39995 23.1996 -1.69087 51.8928 TIMING: 368400 CPU: 1099.21, 0.00301241/step Wall: 1099.21, 0.00301241/step, 3.87564 hours remaining, 208.261719 MB of memory in use. ENERGY: 368400 740.7049 2108.8562 1955.2880 115.4878 -206214.0688 17757.8181 0.0000 0.0000 34421.3927 -149114.5210 300.6106 -183535.9137 -149017.0188 299.5422 15.6574 47.7640 556537.8533 3.9155 3.8378 PRESSURE: 368600 -372.096 -12.0994 -105.448 -12.101 -238.521 69.9613 -105.448 69.9601 -265.512 GPRESSURE: 368600 -365.088 -9.11398 -105.732 -34.3022 -229.794 157.853 -54.1346 15.6807 -178.432 PRESSAVG: 368600 -27.5915 -14.1593 2.94302 -14.1594 78.9266 -27.1471 2.94304 -27.1472 -57.3501 GPRESSAVG: 368600 -26.5127 -13.711 2.25863 -12.4927 79.1987 -23.8896 4.55862 -27.9019 -58.8302 TIMING: 368600 CPU: 1099.81, 0.00296658/step Wall: 1099.81, 0.00296658/step, 3.81651 hours remaining, 208.261719 MB of memory in use. ENERGY: 368600 762.1898 2101.9007 1939.4090 119.2409 -205784.1458 17569.4340 0.0000 0.0000 34389.4625 -148902.5089 300.3317 -183291.9714 -148805.0555 300.2190 -292.0431 -257.7712 558556.1008 -2.0050 -2.0481 PRESSURE: 368800 -447.293 -102.253 -286.331 -102.253 -298.946 -116.426 -286.331 -116.424 50.6633 GPRESSURE: 368800 -390.465 -19.1706 -238.746 -159.048 -243.738 -173.088 -146.2 -98.0695 38.8235 PRESSAVG: 368800 -72.5483 -10.5546 -40.7987 -10.5546 -13.6176 -37.5071 -40.7987 -37.507 14.832 GPRESSAVG: 368800 -72.6342 -11.0875 -39.0147 -11.3694 -14.4421 -39.1986 -42.0247 -36.2189 16.0165 TIMING: 368800 CPU: 1100.4, 0.00297047/step Wall: 1100.4, 0.00297047/step, 3.82134 hours remaining, 208.261719 MB of memory in use. ENERGY: 368800 767.5518 2066.2150 1948.4518 115.9797 -205756.1016 17471.0634 0.0000 0.0000 34473.0310 -148913.8089 301.0616 -183386.8399 -148818.9087 300.1974 -231.8583 -198.4600 559169.7950 -23.7780 -23.6866 PRESSURE: 369000 -153.352 -1.78195 194.97 -1.78233 125.621 -82.9787 194.97 -82.9765 437.273 GPRESSURE: 369000 -100.853 -109.053 278.891 63.1254 127.849 -14.6748 138.139 -73.4072 491.982 PRESSAVG: 369000 -21.9097 7.98075 20.7544 7.98076 -23.7101 21.0396 20.7545 21.0398 20.5114 GPRESSAVG: 369000 -22.3059 8.37256 20.0372 7.52881 -23.3934 20.4966 21.378 18.6844 20.4529 TIMING: 369000 CPU: 1100.99, 0.0029719/step Wall: 1100.99, 0.0029719/step, 3.82302 hours remaining, 208.261719 MB of memory in use. ENERGY: 369000 742.6618 2128.0987 1930.2945 113.2340 -206138.3291 17872.5799 0.0000 0.0000 34317.4461 -149034.0141 299.7028 -183351.4603 -148947.2887 299.8088 136.5140 172.9931 556659.0956 -8.3695 -8.4154 PRESSURE: 369200 -184.988 -130.666 -112.658 -130.665 -73.1468 90.6401 -112.657 90.64 -114.513 GPRESSURE: 369200 -147.4 -79.8953 -233.04 -216.843 -35.7571 46.1106 -30.7584 -2.9347 -86.8434 PRESSAVG: 369200 -53.2911 -28.3066 -5.69095 -28.3066 -0.483811 -44.5784 -5.69101 -44.5785 26.4459 GPRESSAVG: 369200 -52.8964 -28.0317 -6.77558 -28.5268 -1.59522 -43.6852 -5.864 -43.2222 26.9805 TIMING: 369200 CPU: 1101.59, 0.00296143/step Wall: 1101.59, 0.00296143/step, 3.80939 hours remaining, 208.261719 MB of memory in use. ENERGY: 369200 740.1346 2122.4082 1952.3467 115.0242 -206053.7303 17574.9404 0.0000 0.0000 34444.7743 -149104.1019 300.8148 -183548.8762 -148999.6499 299.1468 -124.2161 -90.0003 557239.8222 -9.1097 -9.1704 PRESSURE: 369400 101.333 126.412 -154.315 126.412 -254.553 -89.0155 -154.314 -89.0154 288.58 GPRESSURE: 369400 157.673 136.009 -257.953 78.7037 -192.698 -157.72 -94.8471 17.1226 263.962 PRESSAVG: 369400 14.4752 29.2405 -19.4144 29.2405 51.294 -8.94803 -19.4144 -8.94809 -58.5974 GPRESSAVG: 369400 13.9624 27.2787 -19.9202 30.7602 52.1099 -11.6297 -17.9097 -6.96713 -58.9719 TIMING: 369400 CPU: 1102.18, 0.00294858/step Wall: 1102.18, 0.00294858/step, 3.79269 hours remaining, 208.261719 MB of memory in use. ENERGY: 369400 777.3208 2102.3601 1939.7087 110.5083 -206177.3065 17870.3213 0.0000 0.0000 34324.9866 -149052.1008 299.7686 -183377.0874 -148955.6669 298.9878 45.1200 76.3128 556435.5361 2.3906 2.3668 PRESSURE: 369600 0.197884 21.5322 -2.81491 21.5323 166.626 -98.4261 -2.81633 -98.4272 150.099 GPRESSURE: 369600 79.3893 6.06106 -2.24988 51.5842 173.694 -55.3787 -44.3639 -153.107 153.682 PRESSAVG: 369600 36.739 -14.0771 0.245782 -14.0771 8.17723 0.851536 0.245777 0.851443 5.76464 GPRESSAVG: 369600 37.3277 -14.7822 1.225 -13.5237 8.21057 2.82053 -1.04144 -0.475171 5.00093 TIMING: 369600 CPU: 1102.76, 0.00293667/step Wall: 1102.76, 0.00293667/step, 3.77721 hours remaining, 208.261719 MB of memory in use. ENERGY: 369600 744.4112 2096.1287 1929.8763 106.9193 -206304.8092 18006.5250 0.0000 0.0000 34333.9459 -149087.0028 299.8469 -183420.9487 -148990.5545 299.9963 105.6412 135.5883 556994.4662 16.8936 16.8464 PRESSURE: 369800 -188.087 -42.7272 -6.62896 -42.7268 269.099 -138.175 -6.62963 -138.174 135.36 GPRESSURE: 369800 -155.021 10.8326 -6.8959 -24.6071 287.885 -170.28 -20.8402 -96.7212 178.27 PRESSAVG: 369800 -38.4555 35.7672 -92.4815 35.7673 23.5254 -37.3197 -92.4814 -37.3197 19.7933 GPRESSAVG: 369800 -39.2917 36.5124 -93.2173 34.8237 23.6352 -38.3926 -92.4606 -38.3173 20.6433 TIMING: 369800 CPU: 1103.35, 0.00294292/step Wall: 1103.35, 0.00294292/step, 3.78509 hours remaining, 208.261719 MB of memory in use. ENERGY: 369800 769.0614 2135.0134 1921.2791 117.2151 -206172.0140 17872.6503 0.0000 0.0000 34446.6617 -148910.1331 300.8313 -183356.7947 -148809.5850 300.1971 72.1238 103.7114 556845.9903 1.6211 1.6623 PRESSURE: 370000 -193.978 -163.62 8.66936 -163.619 -37.4953 75.1426 8.66964 75.143 -110.558 GPRESSURE: 370000 -167.168 -117.229 12.0554 -224.237 -4.16949 62.5292 -14.7895 16.611 -88.7801 PRESSAVG: 370000 -63.7499 21.333 -36.1251 21.333 32.5763 -50.2553 -36.1252 -50.2553 -24.8647 GPRESSAVG: 370000 -63.9675 22.6154 -37.2379 21.5775 32.3548 -48.9557 -35.4456 -48.8619 -24.4516 TIMING: 370000 CPU: 1103.94, 0.00294872/step Wall: 1103.94, 0.00294872/step, 3.79238 hours remaining, 208.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 370000 725.0530 2152.3648 1953.2289 112.2013 -205601.7267 17464.7954 0.0000 0.0000 34113.6514 -149080.4319 297.9230 -183194.0833 -148986.5218 299.9631 -114.0105 -86.7059 558100.2624 -18.6794 -18.6881 PRESSURE: 370200 7.29864 79.3033 99.9468 79.3031 -131.482 193.744 99.9461 193.744 88.6556 GPRESSURE: 370200 -21.0713 19.2045 45.6275 83.7101 -38.8187 197.522 117.591 133.332 107.819 PRESSAVG: 370200 49.5308 -54.4504 -32.5223 -54.4505 -49.3016 -21.8714 -32.5222 -21.8713 53.7117 GPRESSAVG: 370200 49.2202 -54.3602 -32.8906 -52.9957 -48.9661 -21.6591 -32.9022 -22.0677 53.2591 TIMING: 370200 CPU: 1104.54, 0.00296778/step Wall: 1104.54, 0.00296778/step, 3.81673 hours remaining, 208.261719 MB of memory in use. ENERGY: 370200 766.4942 2114.1688 1943.9431 131.2750 -205860.3094 17776.2968 0.0000 0.0000 34077.4743 -149050.6572 297.6071 -183128.1315 -148962.1020 299.5095 -11.8425 15.9765 557424.6981 17.9803 17.8377 PRESSURE: 370400 -150.713 -99.5616 128.532 -99.5617 -112.723 194.566 128.533 194.565 -96.0244 GPRESSURE: 370400 -142.23 -106.467 132.119 -111.71 -29.0264 230.565 77.9265 173.565 -96.8465 PRESSAVG: 370400 17.0295 -46.8932 -0.714848 -46.8933 -10.356 14.394 -0.714888 14.394 26.3734 GPRESSAVG: 370400 18.7052 -46.9898 0.614007 -47.8363 -12.3912 14.5153 -1.10829 14.3512 26.8574 TIMING: 370400 CPU: 1105.13, 0.00296231/step Wall: 1105.13, 0.00296231/step, 3.80953 hours remaining, 208.261719 MB of memory in use. ENERGY: 370400 788.2024 2096.3904 1937.2799 103.5230 -205846.3629 17627.8031 0.0000 0.0000 34287.6758 -149005.4882 299.4428 -183293.1640 -148920.1198 299.9120 -119.8201 -89.3676 557066.0981 11.0156 11.0572 PRESSURE: 370600 -151.065 -35.562 -12.9394 -35.5614 -126.334 -146.882 -12.9383 -146.881 117.259 GPRESSURE: 370600 -116.064 18.6198 16.6881 0.545238 -92.8815 -74.9459 -33.4753 -119.814 147.291 PRESSAVG: 370600 3.36839 -4.2663 3.20931 -4.26633 20.8537 0.326602 3.20934 0.326615 15.4927 GPRESSAVG: 370600 2.21331 -2.05749 2.30325 -3.79243 22.6281 -1.69582 3.76618 1.0889 14.9369 TIMING: 370600 CPU: 1105.72, 0.00294302/step Wall: 1105.72, 0.00294302/step, 3.78455 hours remaining, 208.261719 MB of memory in use. ENERGY: 370600 760.6229 2104.9514 1896.6985 111.7647 -206309.4201 17765.5631 0.0000 0.0000 34531.7018 -149138.1178 301.5739 -183669.8195 -149042.5278 299.8960 -53.3800 -20.5515 556233.5694 13.2383 13.2594 PRESSURE: 370800 -324.781 -0.717676 104.807 -0.718131 -100.424 -73.6513 104.807 -73.6522 -56.4049 GPRESSURE: 370800 -287.729 -2.674 137.658 19.3912 -27.7773 -73.2805 107.351 -39.7868 -68.861 PRESSAVG: 370800 1.57206 -17.5778 -24.735 -17.5778 18.2271 13.2403 -24.735 13.2403 35.5357 GPRESSAVG: 370800 1.48277 -18.552 -26.0892 -19.2682 18.0877 14.4258 -24.5706 14.0271 35.6015 TIMING: 370800 CPU: 1106.3, 0.00293189/step Wall: 1106.3, 0.00293189/step, 3.77009 hours remaining, 208.261719 MB of memory in use. ENERGY: 370800 778.7617 2086.3368 1961.6477 129.6498 -205942.5714 17470.5929 0.0000 0.0000 34369.5622 -149146.0202 300.1579 -183515.5824 -149044.8079 300.2969 -160.5364 -128.1224 555851.5250 18.4450 18.3906 PRESSURE: 371000 416.797 -73.6459 -169.974 -73.6449 -197.03 -65.8898 -169.974 -65.89 -88.3203 GPRESSURE: 371000 436.076 -90.3468 -83.246 2.64805 -147.837 62.018 -166.498 -167.422 -46.6669 PRESSAVG: 371000 30.1057 11.268 -19.3011 11.268 29.0938 4.88499 -19.3011 4.88504 -77.2728 GPRESSAVG: 371000 31.0552 10.4982 -16.1044 12.0399 27.7096 6.4279 -21.1711 3.60649 -76.7791 TIMING: 371000 CPU: 1106.89, 0.00294931/step Wall: 1106.89, 0.00294931/step, 3.79232 hours remaining, 208.261719 MB of memory in use. ENERGY: 371000 728.7089 2069.3672 1927.5793 102.5094 -205783.1474 17892.6094 0.0000 0.0000 34011.2741 -149051.0992 297.0289 -183062.3733 -148954.3242 299.7034 43.8155 80.5240 558308.0429 -6.0244 -6.0048 PRESSURE: 371200 -8.60999 111.961 -16.1255 111.96 262.491 57.9367 -16.1247 57.9374 -173.827 GPRESSURE: 371200 25.3575 189.813 -24.0827 51.0797 267.037 22.8192 21.0725 131.358 -125.515 PRESSAVG: 371200 -11.9782 19.9296 -6.25892 19.9296 29.3904 -14.2897 -6.25882 -14.2896 -16.2933 GPRESSAVG: 371200 -11.8176 20.2967 -7.505 20.3535 30.0209 -15.2414 -6.68251 -16.3916 -17.1361 TIMING: 371200 CPU: 1107.48, 0.00294273/step Wall: 1107.48, 0.00294273/step, 3.78369 hours remaining, 208.261719 MB of memory in use. ENERGY: 371200 736.4503 2096.5733 1955.0681 108.5838 -206243.8297 17896.5861 0.0000 0.0000 34309.0176 -149141.5506 299.6292 -183450.5682 -149041.8074 299.3561 26.6847 55.6266 557349.2198 0.3730 0.3557 PRESSURE: 371400 68.3268 -178.606 106.124 -178.605 -90.0637 -77.6525 106.125 -77.6534 -161.931 GPRESSURE: 371400 56.5386 -304.873 97.2252 -165.33 -70.2068 -94.6201 190.694 -57.0921 -79.1775 PRESSAVG: 371400 -31.2689 -7.55875 -1.60353 -7.55877 47.0725 26.0403 -1.60358 26.0404 -3.97405 GPRESSAVG: 371400 -31.954 -7.75926 -2.28125 -6.75041 48.0932 24.4667 -0.852889 27.3872 -4.13452 TIMING: 371400 CPU: 1108.07, 0.00296087/step Wall: 1108.07, 0.00296087/step, 3.80686 hours remaining, 208.261719 MB of memory in use. ENERGY: 371400 766.4732 2071.2486 1945.8641 103.3131 -206057.0279 17622.3156 0.0000 0.0000 34369.4805 -149178.3327 300.1572 -183547.8132 -149085.3503 299.1986 -61.2226 -30.9486 555715.2144 3.9432 4.0016 PRESSURE: 371600 -184.377 11.7069 -68.4926 11.7068 -101.849 -77.4525 -68.4915 -77.4521 98.8595 GPRESSURE: 371600 -88.1039 -5.25657 -60.7664 10.4792 -82.4038 -93.5149 -114.616 -36.224 72.6603 PRESSAVG: 371600 8.8717 -34.6211 -15.4196 -34.6211 -8.25216 -37.6814 -15.4196 -37.6814 13.3203 GPRESSAVG: 371600 8.40474 -37.0712 -14.0606 -34.5963 -8.62159 -36.2973 -17.608 -36.8961 13.9395 TIMING: 371600 CPU: 1108.67, 0.00296631/step Wall: 1108.67, 0.00296631/step, 3.81369 hours remaining, 208.261719 MB of memory in use. ENERGY: 371600 732.3296 2064.0723 1944.9300 110.1557 -205818.6346 17540.9297 0.0000 0.0000 34248.6270 -149177.5903 299.1018 -183426.2172 -149080.5039 299.7043 -62.4555 -32.6158 555010.9410 4.6466 4.5742 PRESSURE: 371800 247.286 73.9165 34.7631 73.9164 159.57 -59.6624 34.7644 -59.6623 202.563 GPRESSURE: 371800 293.112 81.9676 -0.330728 60.8337 200.542 -58.9793 44.7239 -50.3045 223.439 PRESSAVG: 371800 43.678 18.745 -49.7069 18.7451 1.38255 -9.01058 -49.707 -9.0105 -13.5275 GPRESSAVG: 371800 42.7203 20.1338 -49.9342 18.3823 1.03242 -9.3996 -46.1434 -7.43612 -11.9675 TIMING: 371800 CPU: 1109.26, 0.00294826/step Wall: 1109.26, 0.00294826/step, 3.79032 hours remaining, 208.261719 MB of memory in use. ENERGY: 371800 738.6081 2070.6929 1975.2826 117.3544 -206159.3470 17822.9642 0.0000 0.0000 34262.8954 -149171.5494 299.2264 -183434.4448 -149082.4083 299.9361 203.1397 239.0309 555466.8790 10.5110 10.5951 PRESSURE: 372000 281.287 -161.365 -135.562 -161.365 -74.8355 -130.988 -135.561 -130.987 105.876 GPRESSURE: 372000 271.659 -105.779 -174.353 -170.724 -61.864 -128.085 -80.5003 -106.063 207.047 PRESSAVG: 372000 27.4767 12.7954 -13.2755 12.7955 20.5825 -69.9794 -13.2754 -69.9795 -33.5476 GPRESSAVG: 372000 28.0699 14.0617 -12.1535 12.5939 20.6879 -68.6419 -15.9419 -71.1737 -34.3677 TIMING: 372000 CPU: 1109.85, 0.0029852/step Wall: 1109.85, 0.0029852/step, 3.83764 hours remaining, 208.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 372000 717.0012 2168.8854 1918.0284 128.1743 -206206.1467 17800.8824 0.0000 0.0000 34295.1525 -149178.0225 299.5081 -183473.1750 -149080.7693 299.1660 104.1093 138.9471 555439.7839 4.8372 4.7967 PRESSURE: 372200 -134.906 83.4273 -91.1551 83.4257 276.903 -84.3497 -91.1544 -84.3487 -98.5465 GPRESSURE: 372200 -101.153 115.271 -29.3862 72.598 303.483 -51.6355 -89.6765 41.0062 -53.1128 PRESSAVG: 372200 -5.90832 -14.4383 -20.1348 -14.4384 -12.4307 -41.64 -20.1347 -41.6399 12.9844 GPRESSAVG: 372200 -4.33351 -14.0605 -22.7356 -13.6389 -12.9255 -42.187 -18.3593 -41.7026 11.7931 TIMING: 372200 CPU: 1110.45, 0.00298792/step Wall: 1110.45, 0.00298792/step, 3.84097 hours remaining, 208.261719 MB of memory in use. ENERGY: 372200 760.3849 2102.3615 1932.7248 110.0832 -206120.3343 17631.9350 0.0000 0.0000 34479.6011 -149103.2439 301.1189 -183582.8450 -149011.5460 299.6115 14.4837 49.7393 555105.6995 -1.7849 -1.8220 LDB: ============= START OF LOAD BALANCING ============== 1114 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1114 LDB: =============== DONE WITH MIGRATION ================ 1114 LDB: ============= START OF LOAD BALANCING ============== 1114.3 LDB: Largest compute 4795 load 0.028222 is 23.9% of average load 0.118053 LDB: Average compute 0.001742 is 1.5% of average load 0.118053 LDB: TIME 1114.3 LOAD: AVG 0.118053 MAX 0.205046 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.762 MB LDB: TIME 1114.3 LOAD: AVG 0.118053 MAX 0.205046 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.762 MB LDB: TIME 1114.3 LOAD: AVG 0.118053 MAX 0.205046 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1114.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1114.3 PRESSURE: 372400 -72.723 74.8973 -121.968 74.8972 -157.231 68.9053 -121.969 68.9043 107.263 GPRESSURE: 372400 -42.0143 114.76 -107.298 5.43859 -99.4523 69.3501 -85.7693 65.2827 141.691 PRESSAVG: 372400 -31.3248 9.13692 16.5742 9.13694 17.7071 2.65795 16.5742 2.65808 -1.96082 GPRESSAVG: 372400 -31.6547 9.60057 19.5671 6.55667 17.2263 1.77937 16.5673 2.54481 -1.1097 TIMING: 372400 CPU: 1111.05, 0.00301659/step Wall: 1111.05, 0.00301659/step, 3.87766 hours remaining, 207.242188 MB of memory in use. ENERGY: 372400 776.0100 2087.9644 1951.4146 113.0140 -206138.3100 17864.2721 0.0000 0.0000 34202.0469 -149143.5880 298.6950 -183345.6350 -149042.0396 299.3955 -40.8971 0.0747 555617.2716 -5.1929 -5.1793 PRESSURE: 372600 74.3931 -106.204 242.045 -106.205 119.667 -135.865 242.046 -135.865 3.5085 GPRESSURE: 372600 66.3021 -60.2286 366.477 -131.064 190.615 -8.11886 182.415 -224.65 37.5859 PRESSAVG: 372600 -31.3709 -14.8067 -7.38873 -14.8067 33.4618 -32.2282 -7.38872 -32.2282 -5.15919 GPRESSAVG: 372600 -31.3916 -15.9239 -9.65861 -13.1105 33.89 -32.2158 -8.316 -31.1393 -6.08467 TIMING: 372600 CPU: 1111.65, 0.00297498/step Wall: 1111.65, 0.00297498/step, 3.82401 hours remaining, 207.312500 MB of memory in use. ENERGY: 372600 754.0982 2105.6034 1948.1607 111.9043 -206403.4866 17893.0698 0.0000 0.0000 34378.9829 -149211.6674 300.2402 -183590.6503 -149111.9806 299.5986 65.8563 98.1678 555428.3360 -1.0228 -1.1954 PRESSURE: 372800 174.101 47.3661 9.32587 47.3669 55.5057 8.40421 9.32574 8.40564 -207.53 GPRESSURE: 372800 201.925 1.91733 52.3027 -5.7488 84.1124 118.129 -21.2116 24.2824 -157.42 PRESSAVG: 372800 -7.75844 -37.701 19.5579 -37.701 24.1588 -26.5235 19.5578 -26.5234 -31.8361 GPRESSAVG: 372800 -8.55215 -37.6511 20.476 -38.4213 24.3687 -27.8405 20.1828 -25.6793 -31.2814 TIMING: 372800 CPU: 1112.24, 0.00296084/step Wall: 1112.24, 0.00296084/step, 3.80567 hours remaining, 207.312500 MB of memory in use. ENERGY: 372800 762.6902 2078.7124 1965.8345 91.4589 -206535.1982 17961.6035 0.0000 0.0000 34385.0551 -149289.8437 300.2932 -183674.8988 -149185.8835 298.8129 7.3591 42.8726 556362.4785 -5.1453 -5.1549 PRESSURE: 373000 -177.99 -30.5291 68.8201 -30.5276 29.2954 -40.0833 68.8188 -40.0831 -167.842 GPRESSURE: 373000 -172.739 -57.0097 45.7935 -25.3548 38.1115 -75.2054 109.315 51.3652 -77.7923 PRESSAVG: 373000 -48.4637 -51.7985 -15.5794 -51.7985 -18.2346 -20.3916 -15.5794 -20.3917 62.2846 GPRESSAVG: 373000 -48.0869 -52.5603 -17.0649 -51.5022 -19.2387 -20.29 -14.4225 -21.3053 62.2127 TIMING: 373000 CPU: 1112.84, 0.00297396/step Wall: 1112.84, 0.00297396/step, 3.82236 hours remaining, 207.312500 MB of memory in use. ENERGY: 373000 769.9936 2107.4650 1950.0270 106.5434 -206278.4197 17688.3604 0.0000 0.0000 34264.0044 -149392.0258 299.2361 -183656.0302 -149300.5706 299.1815 -105.5120 -70.8065 556050.3389 -1.4712 -1.7043 PRESSURE: 373200 -56.3452 -36.6175 -61.8775 -36.6174 222.456 46.1268 -61.876 46.1268 263.362 GPRESSURE: 373200 -0.365332 -27.4789 -40.1526 -38.6096 280.374 2.4078 -72.8041 55.617 242.832 PRESSAVG: 373200 -17.361 -10.772 17.0692 -10.772 33.6927 -5.39734 17.0692 -5.39744 44.0409 GPRESSAVG: 373200 -17.3039 -11.195 17.313 -9.78143 34.884 -4.51811 16.5641 -6.96749 42.7905 TIMING: 373200 CPU: 1113.43, 0.00297126/step Wall: 1113.43, 0.00297126/step, 3.81873 hours remaining, 207.312500 MB of memory in use. ENERGY: 373200 742.5905 2109.1387 1924.6844 104.0891 -206520.9778 17976.3395 0.0000 0.0000 34271.6298 -149392.5058 299.3027 -183664.1356 -149297.4567 299.3778 143.1575 174.2803 556696.0147 20.1242 20.1235 PRESSURE: 373400 85.6431 -77.1105 54.3302 -77.1099 -51.8432 -2.00391 54.3289 -2.00324 128.49 GPRESSURE: 373400 129.05 -64.1871 51.9473 29.847 -35.3703 30.7767 94.9065 -114.352 172.124 PRESSAVG: 373400 31.5941 -31.7664 -54.5937 -31.7664 -75.7955 15.4426 -54.5936 15.4425 33.6914 GPRESSAVG: 373400 31.269 -31.3913 -55.8622 -30.5786 -75.9004 13.9102 -55.0457 16.1759 33.8236 TIMING: 373400 CPU: 1114.02, 0.0029465/step Wall: 1114.02, 0.0029465/step, 3.78674 hours remaining, 207.312500 MB of memory in use. ENERGY: 373400 756.7724 2081.3455 1911.2486 106.2360 -206319.4355 17879.9154 0.0000 0.0000 34134.7599 -149449.1577 298.1073 -183583.9176 -149352.9383 298.5060 54.0967 88.6012 556165.8311 -3.5033 -3.6026 PRESSURE: 373600 256.696 75.1285 278.214 75.1276 2.21927 -184.414 278.214 -184.413 148.279 GPRESSURE: 373600 282.743 28.1306 236.654 5.91535 64.8417 -198.34 188.787 -66.009 161.673 PRESSAVG: 373600 22.8285 7.49059 6.17386 7.49057 -26.1175 27.0383 6.17395 27.0383 31.4086 GPRESSAVG: 373600 22.2255 7.98534 9.11498 6.30382 -27.2506 29.8261 3.39669 26.7402 32.8161 TIMING: 373600 CPU: 1114.61, 0.00296075/step Wall: 1114.61, 0.00296075/step, 3.80489 hours remaining, 207.312500 MB of memory in use. ENERGY: 373600 739.0205 2121.9066 1968.6580 115.6414 -206580.1084 18076.4952 0.0000 0.0000 34034.9000 -149523.4868 297.2352 -183558.3868 -149432.5141 298.3870 135.7317 169.7526 556049.4282 9.3732 9.2637 PRESSURE: 373800 -132.816 93.4284 3.11153 93.4276 51.6219 104.999 3.11061 104.999 -243.326 GPRESSURE: 373800 -120.866 21.2511 10.0581 98.7216 23.6119 150.259 -8.94917 38.1899 -127.716 PRESSAVG: 373800 16.3738 -21.5285 7.66232 -21.5285 -2.75284 -20.4548 7.66234 -20.4547 -14.0319 GPRESSAVG: 373800 16.9458 -21.0738 6.45649 -22.8817 -1.8701 -23.1552 9.22594 -18.1698 -15.5919 TIMING: 373800 CPU: 1115.21, 0.00299012/step Wall: 1115.21, 0.00299012/step, 3.84247 hours remaining, 207.312500 MB of memory in use. ENERGY: 373800 739.2927 2057.9557 1924.4102 113.5404 -205911.2324 17567.3217 0.0000 0.0000 34034.0788 -149474.6328 297.2281 -183508.7116 -149377.7917 298.0083 -108.1735 -74.9900 555993.0150 -0.1370 -0.1721 PRESSURE: 374000 -75.9633 -15.5375 3.82158 -15.5365 -229.039 89.677 3.82138 89.6772 -10.5971 GPRESSURE: 374000 -38.8715 37.2304 4.47087 -116.827 -201.61 139.947 -46.2092 58.7519 31.8078 PRESSAVG: 374000 3.69976 -51.0944 20.5162 -51.0944 -112.867 -41.1246 20.5162 -41.1246 90.4721 GPRESSAVG: 374000 2.5428 -52.0043 21.0943 -49.566 -111.633 -39.1171 20.6417 -44.9023 90.1936 TIMING: 374000 CPU: 1115.8, 0.00295211/step Wall: 1115.8, 0.00295211/step, 3.79346 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 374000 756.5731 2113.5761 1967.9590 104.7677 -206259.4875 17738.7351 0.0000 0.0000 34098.5026 -149479.3739 297.7907 -183577.8765 -149386.2648 298.3147 -105.1999 -69.5580 559138.1672 -6.2318 -6.2989 PRESSURE: 374200 22.8933 -2.80324 186.959 -2.80285 146.053 -14.2971 186.958 -14.2981 -176.952 GPRESSURE: 374200 145.62 -55.5261 161.687 56.5581 85.813 -59.3691 141.73 21.5699 -142.131 PRESSAVG: 374200 30.4172 -39.8536 48.1237 -39.8536 -70.935 -35.0546 48.1238 -35.0547 53.7275 GPRESSAVG: 374200 31.1193 -41.9484 44.9408 -42.0412 -71.6429 -32.9552 48.1856 -35.255 53.497 TIMING: 374200 CPU: 1116.4, 0.00299482/step Wall: 1116.4, 0.00299482/step, 3.84817 hours remaining, 207.312500 MB of memory in use. ENERGY: 374200 757.1781 2069.2905 1943.2615 100.4096 -206647.8655 18013.7402 0.0000 0.0000 34238.5233 -149525.4624 299.0135 -183763.9856 -149435.7611 298.1701 -2.6685 29.7674 558796.3692 4.4032 4.3244 PRESSURE: 374400 59.8375 -20.59 45.5072 -20.5897 40.0264 54.8372 45.5072 54.837 73.5615 GPRESSURE: 374400 68.6625 8.3026 61.1281 -73.0915 133.488 113.365 92.9518 159.823 66.9882 PRESSAVG: 374400 -34.6968 5.92024 23.5763 5.92022 14.9668 40.5012 23.5764 40.5013 32.5193 GPRESSAVG: 374400 -34.9952 9.97469 25.9802 5.37786 15.2423 38.9314 22.8945 43.0402 32.6998 TIMING: 374400 CPU: 1116.99, 0.00295978/step Wall: 1116.99, 0.00295978/step, 3.80299 hours remaining, 207.312500 MB of memory in use. ENERGY: 374400 733.8363 2052.0297 1940.0848 105.3549 -206758.8937 18068.7736 0.0000 0.0000 34238.8084 -149620.0060 299.0160 -183858.8144 -149525.1284 298.6985 57.8085 89.7130 558097.7033 4.2631 4.3156 PRESSURE: 374600 93.7872 35.3104 -45.4975 35.3113 75.8534 -91.4532 -45.4984 -91.4538 136.722 GPRESSURE: 374600 90.11 75.3821 -49.591 37.8307 135.545 -79.9483 -36.0653 -128.899 167.482 PRESSAVG: 374600 -12.6432 -19.0359 15.6875 -19.0358 -7.55506 -17.7161 15.6874 -17.716 11.4657 GPRESSAVG: 374600 -11.9305 -18.3062 14.6904 -17.3016 -8.04581 -19.1518 15.8097 -19.0227 11.0377 TIMING: 374600 CPU: 1117.58, 0.00293608/step Wall: 1117.58, 0.00293608/step, 3.77237 hours remaining, 207.312500 MB of memory in use. ENERGY: 374600 739.3701 2118.3204 1951.2571 105.8327 -207097.4021 18186.8709 0.0000 0.0000 34213.6938 -149782.0572 298.7967 -183995.7509 -149691.8588 298.0212 102.1209 131.0457 558595.5307 -2.9109 -2.9796 PRESSURE: 374800 -168.807 -16.6279 75.1661 -16.6283 -88.6588 -13.372 75.1658 -13.3722 108.903 GPRESSURE: 374800 -139.621 -63.3695 130.983 15.2289 -34.3923 -33.2832 127.279 10.5007 128.023 PRESSAVG: 374800 -44.54 18.0858 -10.2637 18.0858 -6.35344 4.38046 -10.2637 4.38048 41.1866 GPRESSAVG: 374800 -45.0437 16.7865 -8.2199 17.1901 -6.04571 6.63367 -9.66102 4.36849 41.6048 TIMING: 374800 CPU: 1118.16, 0.00293359/step Wall: 1118.16, 0.00293359/step, 3.76901 hours remaining, 207.312500 MB of memory in use. ENERGY: 374800 750.6545 2086.9959 1939.2713 108.3398 -206378.4100 17694.6522 0.0000 0.0000 34033.5008 -149764.9956 297.2230 -183798.4964 -149668.3379 298.0222 -49.5211 -15.3304 556006.9305 -3.2356 -3.1616 PRESSURE: 375000 -135.024 292.417 -46.3497 292.417 143.785 -70.0661 -46.3504 -70.0652 149.98 GPRESSURE: 375000 -106.125 186.033 -26.7415 276.252 195.414 -99.8832 -64.0597 -7.91887 158.689 PRESSAVG: 375000 -75.7935 33.3863 -2.75028 33.3863 30.6643 -12.6611 -2.75042 -12.661 53.7287 GPRESSAVG: 375000 -74.8402 33.0468 -4.25212 34.2283 29.4662 -12.5016 -1.95222 -11.7061 53.8173 TIMING: 375000 CPU: 1118.75, 0.00293266/step Wall: 1118.75, 0.00293266/step, 3.76766 hours remaining, 207.312500 MB of memory in use. ENERGY: 375000 723.3771 2087.1167 1943.8040 104.1638 -206537.9041 18020.6929 0.0000 0.0000 33942.1369 -149716.6126 296.4251 -183658.7496 -149618.2463 298.4850 52.9137 82.6597 555253.2089 2.8665 2.8144 PRESSURE: 375200 -106.512 -109.55 -14.6247 -109.549 -284.163 -35.0333 -14.6245 -35.0342 -63.8834 GPRESSURE: 375200 -77.2438 -154.151 25.5018 -47.1129 -260.422 105.175 -14.9232 -150.343 -13.6226 PRESSAVG: 375200 45.5934 0.682609 -14.9701 0.682702 -44.8473 19.4384 -14.9702 19.4384 15.7137 GPRESSAVG: 375200 45.0747 -0.626973 -14.4635 0.407672 -44.5676 15.9426 -15.2512 21.3368 15.6715 TIMING: 375200 CPU: 1119.34, 0.0029348/step Wall: 1119.34, 0.0029348/step, 3.77024 hours remaining, 207.312500 MB of memory in use. ENERGY: 375200 734.9343 2058.0493 1947.4018 109.3809 -205757.9548 17570.0778 0.0000 0.0000 33852.4294 -149485.6813 295.6417 -183338.1107 -149387.9138 298.1633 -151.5192 -117.0962 558025.5868 5.4866 5.3929 PRESSURE: 375400 67.4894 -189.072 52.0216 -189.072 -110.46 42.4062 52.022 42.4064 15.9866 GPRESSURE: 375400 52.0067 -177.11 110.159 -204.848 -52.8998 -42.4358 60.4865 87.2929 63.1696 PRESSAVG: 375400 -42.7366 -6.71732 9.58481 -6.71726 -24.4797 0.584116 9.58475 0.584206 29.793 GPRESSAVG: 375400 -42.3789 -7.48294 8.46288 -5.61488 -24.3796 2.5921 8.93493 -1.99382 30.1493 TIMING: 375400 CPU: 1119.93, 0.00296063/step Wall: 1119.93, 0.00296063/step, 3.80326 hours remaining, 207.312500 MB of memory in use. ENERGY: 375400 712.8250 2028.0653 1919.7268 119.2076 -206512.5953 17849.2474 0.0000 0.0000 34442.9532 -149440.5700 300.7989 -183883.5232 -149339.7628 298.9822 -8.9946 20.7588 556983.3847 -12.4744 -12.2031 PRESSURE: 375600 167.874 197.993 44.1949 197.994 303.34 -50.5929 44.1953 -50.5927 -105.822 GPRESSURE: 375600 241.021 86.5326 -10.3039 179.962 303.03 -66.1367 40.1909 -72.2412 -97.7309 PRESSAVG: 375600 -20.0153 2.82381 25.8917 2.82373 79.694 -38.7631 25.8918 -38.7632 -11.0111 GPRESSAVG: 375600 -20.1616 3.69414 28.2302 1.19976 78.9502 -38.7664 25.1071 -36.0313 -10.7471 TIMING: 375600 CPU: 1120.52, 0.00296804/step Wall: 1120.52, 0.00296804/step, 3.81261 hours remaining, 207.312500 MB of memory in use. ENERGY: 375600 747.6800 2045.8485 1948.0099 110.1786 -206303.5547 17821.6042 0.0000 0.0000 34167.3554 -149462.8781 298.3920 -183630.2335 -149369.0740 298.1381 121.7974 148.7733 555629.9023 16.2226 16.0138 PRESSURE: 375800 -122.203 45.3773 115.665 45.3758 0.890631 46.7525 115.666 46.7545 -185.93 GPRESSURE: 375800 -87.1516 49.9807 119.863 -35.6082 32.7884 3.09122 55.8953 74.8865 -160.485 PRESSAVG: 375800 -0.680207 49.0414 54.9271 49.0414 20.9223 -17.0528 54.9272 -17.0529 -61.1584 GPRESSAVG: 375800 -0.66119 48.8852 50.5908 48.7869 21.9688 -16.1674 57.2072 -18.1272 -62.2886 TIMING: 375800 CPU: 1121.11, 0.00295213/step Wall: 1121.11, 0.00295213/step, 3.79201 hours remaining, 207.312500 MB of memory in use. ENERGY: 375800 787.9933 2062.2842 1968.0695 106.0120 -206183.9945 17669.8457 0.0000 0.0000 34200.9957 -149388.7941 298.6858 -183589.7898 -149287.1276 298.3644 -102.4142 -71.6161 556460.1292 -13.6388 -13.6603 PRESSURE: 376000 101.648 -182.726 -37.876 -182.725 47.841 124.534 -37.8753 124.533 67.0273 GPRESSURE: 376000 88.5485 -134.971 -13.3666 -185.005 116.019 62.3746 -18.6664 134.742 112.95 PRESSAVG: 376000 23.9733 59.1593 34.8582 59.1593 -38.5917 -0.312399 34.8582 -0.312425 19.0636 GPRESSAVG: 376000 23.4588 59.8332 36.3069 60.328 -38.495 -0.880653 33.4494 -0.995664 18.9874 TIMING: 376000 CPU: 1121.7, 0.00293011/step Wall: 1121.7, 0.00293011/step, 3.76356 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 376000 751.4568 2084.0621 1951.9872 116.2537 -206536.1067 18015.2087 0.0000 0.0000 34217.5401 -149399.5981 298.8303 -183617.1382 -149303.0621 298.6808 72.1722 105.8391 557016.9009 1.4817 1.3171 PRESSURE: 376200 99.7784 -14.2281 -104.527 -14.2274 -216.691 -112.727 -104.526 -112.728 -372.633 GPRESSURE: 376200 137.714 35.693 -169.9 -54.7117 -197.634 -104.143 -71.9539 -133.104 -322.698 PRESSAVG: 376200 25.4984 32.4519 9.41143 32.4519 -8.41354 10.795 9.41149 10.7949 -39.2861 GPRESSAVG: 376200 27.9954 32.2796 7.73971 33.1933 -10.1033 11.2175 10.7528 10.8826 -39.8005 TIMING: 376200 CPU: 1122.29, 0.0029498/step Wall: 1122.29, 0.0029498/step, 3.78869 hours remaining, 207.312500 MB of memory in use. ENERGY: 376200 711.1884 2087.7637 1952.6954 113.8746 -206021.1454 17652.2389 0.0000 0.0000 34088.0131 -149415.3713 297.6991 -183503.3844 -149321.8346 298.7619 -163.1821 -127.5395 556901.3649 -7.4004 -7.3028 LDB: ============= START OF LOAD BALANCING ============== 1125.84 LDB: ============== END OF LOAD BALANCING =============== 1125.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1125.84 LDB: ============= START OF LOAD BALANCING ============== 1126.14 LDB: Largest compute 4795 load 0.027530 is 23.3% of average load 0.117982 LDB: Average compute 0.001733 is 1.5% of average load 0.117982 LDB: TIME 1126.14 LOAD: AVG 0.117982 MAX 0.203269 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.273 MB LDB: TIME 1126.14 LOAD: AVG 0.117982 MAX 0.203269 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.477 MB LDB: TIME 1126.14 LOAD: AVG 0.117982 MAX 0.203269 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.477 MB LDB: ============== END OF LOAD BALANCING =============== 1126.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1126.15 PRESSURE: 376400 200.744 -37.1617 184.341 -37.1614 -210.679 -47.8945 184.339 -47.8939 140.7 GPRESSURE: 376400 218.775 -24.0615 193.642 -73.7468 -100.725 19.0837 157.252 -135.807 110.36 PRESSAVG: 376400 29.7303 8.26324 34.2488 8.2633 -55.1206 24.6409 34.2488 24.6408 8.62801 GPRESSAVG: 376400 28.2539 8.16561 35.7557 8.2917 -53.839 24.5165 33.0875 24.2843 9.09829 TIMING: 376400 CPU: 1122.9, 0.00303754/step Wall: 1122.9, 0.00303754/step, 3.90121 hours remaining, 206.472656 MB of memory in use. ENERGY: 376400 753.0826 2095.6059 1942.5869 95.8379 -206312.7987 17854.7116 0.0000 0.0000 34225.3222 -149345.6516 298.8983 -183570.9737 -149245.1962 298.6080 43.5885 76.1365 556562.1399 -5.5874 -5.4956 PRESSURE: 376600 108.658 111.453 71.6812 111.452 227.101 11.7497 71.6816 11.7495 179.633 GPRESSURE: 376600 101.848 178.733 -38.219 89.6801 264.328 2.8302 94.2116 -14.1567 247.724 PRESSAVG: 376600 -35.1252 24.7867 -21.6661 24.7866 24.0948 24.7567 -21.6661 24.7567 27.2771 GPRESSAVG: 376600 -34.8843 25.4009 -20.0057 23.9459 24.6331 23.8267 -22.4625 23.8863 26.388 TIMING: 376600 CPU: 1123.49, 0.0029583/step Wall: 1123.49, 0.0029583/step, 3.79928 hours remaining, 206.472656 MB of memory in use. ENERGY: 376600 704.3029 2075.6900 1933.8811 110.0588 -206299.9732 18059.2772 0.0000 0.0000 34102.4626 -149314.3006 297.8253 -183416.7632 -149223.4744 298.2640 171.7973 204.6336 556319.3304 5.4156 5.3789 PRESSURE: 376800 -93.7794 38.0815 110.896 38.082 -69.9836 77.8769 110.897 77.8752 39.181 GPRESSURE: 376800 -80.7941 38.7473 103.543 12.4333 -98.9265 108.919 80.2203 90.9337 151.015 PRESSAVG: 376800 -54.9656 23.126 15.8159 23.1259 32.395 28.3811 15.8159 28.3812 8.58406 GPRESSAVG: 376800 -55.8434 22.3404 15.539 23.2313 31.7203 30.4076 17.0894 30.0111 10.3714 TIMING: 376800 CPU: 1124.08, 0.00295357/step Wall: 1124.08, 0.00295357/step, 3.79304 hours remaining, 206.472656 MB of memory in use. ENERGY: 376800 756.6327 2088.9258 1969.0978 105.4317 -206201.9389 17837.1590 0.0000 0.0000 34263.9429 -149180.7490 299.2355 -183444.6919 -149086.8322 298.7814 -41.5274 -9.5684 556961.6992 -4.6622 -4.5839 PRESSURE: 377000 120.957 -33.3833 -192.645 -33.3827 129.119 -88.1731 -192.646 -88.1727 39.637 GPRESSURE: 377000 185.351 -66.0475 -207.758 -52.6358 138.4 -85.3438 -122.261 -66.7011 53.8682 PRESSAVG: 377000 16.6175 6.61054 33.1853 6.61046 -33.1276 0.719456 33.1852 0.719544 -11.6823 GPRESSAVG: 377000 17.3219 8.13171 33.0048 5.47953 -33.2408 1.86499 31.6012 0.21239 -11.4295 TIMING: 377000 CPU: 1124.67, 0.00295056/step Wall: 1124.67, 0.00295056/step, 3.78901 hours remaining, 206.472656 MB of memory in use. ENERGY: 377000 742.8720 2099.9883 1938.0187 116.0386 -206521.7739 18012.1478 0.0000 0.0000 34478.3458 -149134.3628 301.1080 -183612.7086 -149040.4440 299.2003 96.5708 125.8728 558326.9447 -9.3975 -9.1161 PRESSURE: 377200 -69.015 -185.205 148.391 -185.205 -30.6572 153.696 148.391 153.697 -242.754 GPRESSURE: 377200 -81.1033 -127.907 126.369 -230.839 -1.27957 128.56 160.237 76.3855 -155.052 PRESSAVG: 377200 20.7324 50.9492 -19.8968 50.9492 -85.9885 29.7647 -19.8968 29.7647 35.0316 GPRESSAVG: 377200 20.661 52.2832 -18.8123 50.8034 -85.4722 27.9834 -20.8719 30.2891 34.1068 TIMING: 377200 CPU: 1125.26, 0.00296703/step Wall: 1125.26, 0.00296703/step, 3.81 hours remaining, 206.472656 MB of memory in use. ENERGY: 377200 752.0470 2131.0548 1923.0728 117.0662 -206279.0861 17863.3419 0.0000 0.0000 34260.9803 -149231.5231 299.2097 -183492.5034 -149143.2043 299.3469 -114.1421 -79.1451 558395.6178 -10.0748 -10.2348 PRESSURE: 377400 -167.75 13.8483 -12.0126 13.849 5.54075 -31.5987 -12.0124 -31.5988 -47.5618 GPRESSURE: 377400 -99.7154 75.9476 -88.4885 -26.9145 42.2555 46.1909 -89.3534 -59.8159 -48.4788 PRESSAVG: 377400 -11.3028 15.8578 -1.38171 15.8579 -42.9877 28.2244 -1.3817 28.2244 49.58 GPRESSAVG: 377400 -10.4863 16.6901 -2.03855 17.0292 -43.8082 25.9133 -0.093272 28.2955 49.5085 TIMING: 377400 CPU: 1125.85, 0.00295444/step Wall: 1125.85, 0.00295444/step, 3.79366 hours remaining, 206.472656 MB of memory in use. ENERGY: 377400 701.5856 2104.5001 1960.4768 113.8088 -206020.8636 17691.1074 0.0000 0.0000 34226.9544 -149222.4304 298.9125 -183449.3848 -149124.1274 299.3722 -69.9237 -35.3129 559226.9670 -1.5702 -1.5953 PRESSURE: 377600 -11.7225 -191.675 -40.9335 -191.676 -74.0986 -130.497 -40.9334 -130.498 -119.429 GPRESSURE: 377600 2.69039 -203.643 -17.2146 -303.308 -22.0745 -161.915 36.8625 -119.389 -83.7669 PRESSAVG: 377600 7.73157 -9.97192 -39.621 -9.97192 -86.3333 0.579543 -39.6211 0.5795 108.826 GPRESSAVG: 377600 6.21153 -12.4554 -40.8572 -10.0677 -85.1952 2.19529 -38.1883 -0.916713 109.06 TIMING: 377600 CPU: 1126.45, 0.00297774/step Wall: 1126.45, 0.00297774/step, 3.82342 hours remaining, 206.472656 MB of memory in use. ENERGY: 377600 732.0398 2069.1861 1927.7310 113.6497 -206267.0400 17810.4008 0.0000 0.0000 34344.4624 -149269.5701 299.9387 -183614.0325 -149175.9124 299.4216 -68.4168 -34.3837 557179.7907 10.0746 10.0253 PRESSURE: 377800 70.6157 49.0874 -75.1889 49.0876 16.7506 -31.8091 -75.189 -31.8098 175.646 GPRESSURE: 377800 93.498 69.7821 -16.6415 53.2769 70.2925 -55.1925 -139.517 34.6025 192.014 PRESSAVG: 377800 -36.8918 -33.9273 7.78177 -33.9271 32.2683 57.0173 7.78183 57.0172 2.59159 GPRESSAVG: 377800 -36.1228 -32.1547 8.14602 -34.3249 32.5261 56.5773 6.09463 57.636 1.55499 TIMING: 377800 CPU: 1127.04, 0.00294675/step Wall: 1127.04, 0.00294675/step, 3.78346 hours remaining, 206.472656 MB of memory in use. ENERGY: 377800 714.4819 2113.2992 1914.5098 112.5445 -206287.7235 17951.9027 0.0000 0.0000 34202.8037 -149278.1816 298.7016 -183480.9854 -149176.0938 299.4303 87.6708 118.6014 557955.2584 -0.6773 -0.6806 PRESSURE: 378000 -45.5863 -98.0538 -248.816 -98.0533 -56.3062 -69.0124 -248.817 -69.012 -152.816 GPRESSURE: 378000 -9.9455 -83.1883 -173.615 -9.97556 -5.69061 9.34401 -286.651 -74.793 -123.463 PRESSAVG: 378000 -36.525 0.753113 -4.6683 0.753111 77.941 20.6158 -4.66824 20.6159 -46.1678 GPRESSAVG: 378000 -37.1802 -1.85488 -4.68811 2.57233 78.0711 21.8779 -3.03576 19.9086 -44.7555 TIMING: 378000 CPU: 1127.63, 0.00296518/step Wall: 1127.63, 0.00296518/step, 3.80696 hours remaining, 206.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 378000 722.2178 2122.3534 1929.8349 100.0385 -206428.6079 17887.9001 0.0000 0.0000 34244.3541 -149421.9090 299.0645 -183666.2632 -149323.1604 298.7346 -84.9028 -46.3664 558399.9717 -1.5840 -1.2882 PRESSURE: 378200 -0.745 20.3001 -54.5785 20.3002 95.9497 -118.529 -54.5791 -118.531 -466.869 GPRESSURE: 378200 30.1268 -6.9733 -79.4591 -76.3225 93.1495 -197.881 -44.158 -87.7557 -399.01 PRESSAVG: 378200 -2.70348 -37.2681 -7.94751 -37.2682 -37.8668 18.2901 -7.94744 18.2902 14.1888 GPRESSAVG: 378200 -2.23495 -36.9543 -6.65081 -39.2807 -38.139 17.9422 -7.19599 18.1574 13.795 TIMING: 378200 CPU: 1128.23, 0.00296515/step Wall: 1128.23, 0.00296515/step, 3.80675 hours remaining, 206.472656 MB of memory in use. ENERGY: 378200 724.6435 2079.5490 1944.8396 109.4025 -206160.0123 17754.7806 0.0000 0.0000 34162.4790 -149384.3181 298.3494 -183546.7971 -149283.7921 298.6457 -123.8882 -91.9111 559258.7840 -8.7938 -8.8597 PRESSURE: 378400 65.1153 -57.3259 8.4605 -57.3268 12.8204 -143.819 8.45996 -143.818 207.119 GPRESSURE: 378400 110.702 -104.492 -2.19228 43.041 88.5498 -174.048 5.77967 -136.449 188.965 PRESSAVG: 378400 38.9305 0.513443 -2.51893 0.513397 14.2028 -20.5066 -2.51883 -20.5066 -70.3631 GPRESSAVG: 378400 39.9472 2.75021 -3.10152 1.06181 14.1618 -20.6115 -4.27391 -21.2118 -70.9403 TIMING: 378400 CPU: 1128.82, 0.0029668/step Wall: 1128.82, 0.0029668/step, 3.80872 hours remaining, 206.472656 MB of memory in use. ENERGY: 378400 685.6506 2075.1085 1929.2389 111.5610 -206180.0708 17911.1150 0.0000 0.0000 34002.2871 -149465.1096 296.9504 -183467.3967 -149373.7437 298.1010 95.0181 129.4053 558956.2563 -5.7433 -5.6104 PRESSURE: 378600 -445.441 27.0552 91.2058 27.0559 -83.6337 -4.91821 91.2069 -4.91821 -68.0112 GPRESSURE: 378600 -375.36 98.8413 117.076 -14.486 -64.3988 -15.1411 -0.953501 37.2797 -53.1565 PRESSAVG: 378600 -57.5561 -23.8608 14.5863 -23.8608 33.6252 -4.71773 14.5863 -4.71774 24.146 GPRESSAVG: 378600 -58.0769 -26.3258 12.6439 -23.6544 34.0735 -2.86546 16.2347 -3.90448 24.3621 TIMING: 378600 CPU: 1129.41, 0.00296239/step Wall: 1129.41, 0.00296239/step, 3.80288 hours remaining, 206.589844 MB of memory in use. ENERGY: 378600 731.1227 2101.4496 1919.7051 115.3145 -206336.5522 17697.9594 0.0000 0.0000 34230.8651 -149540.1359 298.9467 -183771.0010 -149441.8497 298.5219 -199.0288 -164.3051 559281.3796 0.0717 0.1196 PRESSURE: 378800 -22.4497 -65.6673 67.461 -65.6667 -253.069 86.9861 67.4623 86.9862 -82.0225 GPRESSURE: 378800 -43.6442 -47.5157 52.6532 -140.405 -201.494 78.5347 9.29008 62.4318 -26.9231 PRESSAVG: 378800 49.5401 2.09331 -0.934532 2.09321 -25.5441 -18.3235 -0.934578 -18.3236 11.443 GPRESSAVG: 378800 49.1946 1.7279 0.156586 3.5456 -24.7873 -22.0179 -2.9005 -16.73 10.992 TIMING: 378800 CPU: 1130, 0.00294939/step Wall: 1130, 0.00294939/step, 3.78603 hours remaining, 206.589844 MB of memory in use. ENERGY: 378800 732.1881 2073.5349 1949.3757 117.6936 -206588.7007 17787.3243 0.0000 0.0000 34305.8567 -149622.7273 299.6016 -183928.5840 -149528.6995 298.6278 -119.1803 -90.6871 558431.8295 11.8130 11.7998 PRESSURE: 379000 -157.253 42.768 -78.2638 42.7692 283.362 30.6762 -78.2637 30.6759 -26.962 GPRESSURE: 379000 -133.417 -53.4265 -42.8589 79.7729 277.427 15.8599 31.9771 25.6026 50.1393 PRESSAVG: 379000 -21.1372 -19.5001 -26.9058 -19.5001 5.50513 36.8489 -26.9058 36.8489 50.2835 GPRESSAVG: 379000 -20.6088 -19.9216 -26.284 -19.522 4.8215 39.7706 -24.6394 34.3242 50.8541 TIMING: 379000 CPU: 1130.59, 0.00294536/step Wall: 1130.59, 0.00294536/step, 3.7807 hours remaining, 206.589844 MB of memory in use. ENERGY: 379000 726.9836 2075.7983 1923.9485 102.2976 -206498.3012 17981.3158 0.0000 0.0000 34299.0986 -149388.8587 299.5426 -183687.9573 -149299.2287 298.7590 33.0488 64.7163 557776.7799 11.5505 11.6889 PRESSURE: 379200 415.074 -33.5289 -69.868 -33.5295 60.8491 -193.563 -69.8663 -193.562 -45.6379 GPRESSURE: 379200 432.507 -101.198 -64.5123 -40.0348 98.1387 -91.0643 -37.0467 -233.464 6.09083 PRESSAVG: 379200 1.18943 -25.5108 -26.4224 -25.5108 -4.63856 -10.4259 -26.4225 -10.4259 -6.3089 GPRESSAVG: 379200 0.448558 -24.4949 -26.0558 -25.1199 -4.38075 -13.1298 -28.3658 -9.80062 -5.6408 TIMING: 379200 CPU: 1131.18, 0.00296044/step Wall: 1131.18, 0.00296044/step, 3.7999 hours remaining, 206.589844 MB of memory in use. ENERGY: 379200 717.5907 2058.8089 1911.8170 123.1361 -206310.2357 18115.1765 0.0000 0.0000 34080.4161 -149303.2903 297.6328 -183383.7064 -149211.2003 298.2369 143.4284 178.9122 558016.1529 -3.2527 -3.1910 PRESSURE: 379400 -82.3973 -203.91 29.7845 -203.909 -139.988 0.461519 29.7845 0.460168 172.069 GPRESSURE: 379400 -55.8692 -238.644 32.5967 -135.213 -134.815 -15.663 101.092 -8.07897 238.122 PRESSAVG: 379400 71.3483 31.2655 19.655 31.2655 -84.2151 38.9027 19.655 38.9027 -4.26713 GPRESSAVG: 379400 71.4999 31.6473 19.9994 28.8981 -82.96 40.1163 18.7555 39.5613 -5.72916 TIMING: 379400 CPU: 1131.77, 0.00295966/step Wall: 1131.77, 0.00295966/step, 3.79872 hours remaining, 206.589844 MB of memory in use. ENERGY: 379400 744.5928 2092.1700 1924.7840 113.1329 -206552.4170 17947.8085 0.0000 0.0000 34437.7900 -149292.1386 300.7538 -183729.9286 -149200.1770 299.6265 -16.7722 15.8124 558862.6987 -5.7113 -5.7298 PRESSURE: 379600 147.545 -38.6704 37.3632 -38.6703 -186.085 204.315 37.3637 204.315 -5.88198 GPRESSURE: 379600 163.034 27.1802 17.1513 -13.7251 -159.428 201.159 75.6741 195.534 60.2276 PRESSAVG: 379600 -29.5707 -64.2903 -3.3775 -64.2901 -13.9027 58.4519 -3.37756 58.4519 39.4214 GPRESSAVG: 379600 -30.177 -64.9805 -5.14252 -63.3691 -15.1775 56.7056 -1.12844 58.3411 40.5448 TIMING: 379600 CPU: 1132.37, 0.0029616/step Wall: 1132.37, 0.0029616/step, 3.80104 hours remaining, 206.589844 MB of memory in use. ENERGY: 379600 756.0110 2068.7053 1936.4468 97.3367 -206292.0408 17872.3822 0.0000 0.0000 34347.0362 -149214.1225 299.9612 -183561.1587 -149127.1824 299.3150 -14.8075 21.2781 557505.6427 -1.3507 -1.6032 PRESSURE: 379800 71.1481 -42.2853 -96.4059 -42.2847 -26.6177 -128.139 -96.4069 -128.138 215.767 GPRESSURE: 379800 106.794 -131.173 46.7785 -19.0041 -27.3974 -115.616 -173.708 -138.776 273.266 PRESSAVG: 379800 12.6699 30.6909 -9.4221 30.6909 9.17625 30.4366 -9.42228 30.4366 1.62827 GPRESSAVG: 379800 12.0206 33.0259 -9.05842 29.7883 9.734 29.5782 -9.99888 31.3092 1.84238 TIMING: 379800 CPU: 1132.96, 0.00296665/step Wall: 1132.96, 0.00296665/step, 3.80736 hours remaining, 206.589844 MB of memory in use. ENERGY: 379800 739.5573 2128.2192 1941.0227 108.4696 -206538.2305 18156.1195 0.0000 0.0000 34252.4252 -149212.4169 299.1349 -183464.8421 -149111.6950 299.8895 86.7657 117.5543 556797.6369 7.8248 7.8657 PRESSURE: 380000 -202.349 107.793 -87.9345 107.793 -59.853 -178.688 -87.9345 -178.688 142.646 GPRESSURE: 380000 -155.815 90.6027 -123.801 112.812 -4.33478 -164.806 -43.779 -112.481 148.738 PRESSAVG: 380000 -74.9753 -26.1186 -45.3188 -26.1187 79.4915 -6.98096 -45.3189 -6.98094 27.5051 GPRESSAVG: 380000 -73.8473 -27.5368 -45.6114 -25.7304 78.9391 -3.33727 -45.7288 -8.00171 26.9171 TIMING: 380000 CPU: 1133.55, 0.00295652/step Wall: 1133.55, 0.00295652/step, 3.7942 hours remaining, 206.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 380000 760.5330 2122.0259 1917.2340 110.7303 -206291.4926 17749.7244 0.0000 0.0000 34446.7333 -149184.5117 300.8319 -183631.2449 -149086.8284 299.0263 -39.8519 -3.8040 555629.6751 10.6738 10.6696 PRESSURE: 380200 90.2726 -121.206 34.6976 -121.207 176.879 -4.62875 34.6963 -4.62972 247.777 GPRESSURE: 380200 150.635 -111.185 51.3613 -48.5589 105.557 28.8505 21.1695 -41.7739 362.405 PRESSAVG: 380200 48.5695 13.8899 -48.343 13.8898 12.2147 23.7686 -48.343 23.7684 -44.5585 GPRESSAVG: 380200 48.5567 13.9514 -47.163 13.2499 12.0886 23.8472 -49.8647 25.047 -44.3461 TIMING: 380200 CPU: 1134.15, 0.00297366/step Wall: 1134.15, 0.00297366/step, 3.81604 hours remaining, 206.640625 MB of memory in use. ENERGY: 380200 740.9212 2128.7454 1923.1452 115.9101 -206634.3869 18039.6156 0.0000 0.0000 34171.2814 -149514.7680 298.4263 -183686.0494 -149424.1069 299.2936 171.6428 206.1988 556551.3143 5.4086 5.4331 LDB: ============= START OF LOAD BALANCING ============== 1137.69 LDB: ============== END OF LOAD BALANCING =============== 1137.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1137.7 LDB: ============= START OF LOAD BALANCING ============== 1137.99 LDB: Largest compute 4795 load 0.026437 is 22.4% of average load 0.117966 LDB: Average compute 0.001735 is 1.5% of average load 0.117966 LDB: TIME 1137.99 LOAD: AVG 0.117966 MAX 0.204861 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.004 MB LDB: TIME 1137.99 LOAD: AVG 0.117966 MAX 0.204861 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.043 MB LDB: TIME 1137.99 LOAD: AVG 0.117966 MAX 0.204861 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.043 MB LDB: ============== END OF LOAD BALANCING =============== 1138 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1138 PRESSURE: 380400 117.473 -118.191 -153.661 -118.19 38.1953 -26.2197 -153.661 -26.219 -22.2867 GPRESSURE: 380400 125.881 -139.583 -184.406 -111.487 59.2159 -17.1958 -220.305 -75.503 44.4132 PRESSAVG: 380400 2.75714 -16.998 -34.2123 -16.998 69.0968 16.5399 -34.2123 16.5398 -113.964 GPRESSAVG: 380400 2.07001 -17.8199 -34.8108 -14.7 70.4531 15.8205 -33.3601 15.9466 -114.185 TIMING: 380400 CPU: 1134.75, 0.00301967/step Wall: 1134.75, 0.00301967/step, 3.87491 hours remaining, 208.054688 MB of memory in use. ENERGY: 380400 742.0091 2094.9771 1929.3136 98.5774 -206421.4937 17971.9011 0.0000 0.0000 34004.4807 -149580.2347 296.9696 -183584.7154 -149478.4488 298.6879 44.4606 76.5034 557453.5277 -14.0369 -13.8874 PRESSURE: 380600 -179.772 -42.7552 -238.876 -42.7546 -327.56 -57.1078 -238.876 -57.1087 -62.0855 GPRESSURE: 380600 -110.936 -62.2079 -221.268 -61.4137 -308.896 49.4306 -176.682 -89.0697 -52.7642 PRESSAVG: 380600 -42.7804 -51.809 -14.893 -51.809 22.545 -1.48472 -14.8929 -1.48482 -3.58856 GPRESSAVG: 380600 -42.2734 -53.3144 -15.0919 -52.6519 22.4098 -0.658851 -15.5833 -1.79786 -3.77413 TIMING: 380600 CPU: 1135.34, 0.00294433/step Wall: 1135.34, 0.00294433/step, 3.77807 hours remaining, 208.253906 MB of memory in use. ENERGY: 380600 755.0020 2077.4665 1945.7841 107.9039 -206241.7407 17642.7379 0.0000 0.0000 34478.6063 -149234.2399 301.1102 -183712.8462 -149143.4935 299.6501 -189.8060 -157.5321 558137.2482 -7.9413 -7.8792 PRESSURE: 380800 276.916 -162.195 78.9251 -162.195 150.616 85.0201 78.9248 85.0199 -49.5537 GPRESSURE: 380800 339.642 -215.707 90.5882 -165.489 176.136 89.011 24.791 103.439 -40.0767 PRESSAVG: 380800 -17.8099 -58.3849 22.5688 -58.3849 34.9348 39.9472 22.5688 39.9471 5.63736 GPRESSAVG: 380800 -18.525 -56.7878 24.2161 -58.6653 35.0401 38.6926 22.6324 40.0477 6.02736 TIMING: 380800 CPU: 1135.92, 0.00292243/step Wall: 1135.92, 0.00292243/step, 3.7498 hours remaining, 208.253906 MB of memory in use. ENERGY: 380800 725.5905 2033.9935 1944.8127 107.6634 -206901.8950 18066.4634 0.0000 0.0000 34714.5810 -149308.7904 303.1711 -184023.3714 -149211.2412 300.1935 125.9927 158.5671 557510.4762 7.5874 7.5142 PRESSURE: 381000 -45.2792 73.7887 -73.8607 73.7891 -60.5223 -269.855 -73.8601 -269.854 -12.6277 GPRESSURE: 381000 -46.4811 116.043 59.3355 46.5861 -14.9917 -278.411 -195.467 -173.955 40.0369 PRESSAVG: 381000 34.8667 -14.1561 5.714 -14.1562 -47.6767 3.58804 5.71395 3.58815 30.5986 GPRESSAVG: 381000 35.276 -13.2339 4.83897 -15.0282 -47.7607 2.06292 6.6742 2.30225 29.9364 TIMING: 381000 CPU: 1136.51, 0.00294797/step Wall: 1136.51, 0.00294797/step, 3.78241 hours remaining, 208.253906 MB of memory in use. ENERGY: 381000 758.1337 2091.2546 1941.4198 111.4107 -206402.2206 18003.9312 0.0000 0.0000 34276.8959 -149219.1747 299.3487 -183496.0707 -149120.8324 299.7727 -39.4764 -7.1453 557245.7647 5.9295 5.8172 PRESSURE: 381200 214.267 -46.558 -118.807 -46.5576 -9.39472 77.7788 -118.807 77.7789 22.016 GPRESSURE: 381200 236.662 -91.0502 -82.0687 -21.8728 64.6334 45.7464 -94.3267 70.8953 27.4811 PRESSAVG: 381200 37.1849 10.0938 29.6997 10.0939 -53.6659 3.28548 29.6996 3.28554 4.38721 GPRESSAVG: 381200 36.7923 10.9683 31.1464 10.1186 -54.048 4.4942 29.6188 3.57762 5.09789 TIMING: 381200 CPU: 1137.1, 0.0029542/step Wall: 1137.1, 0.0029542/step, 3.79024 hours remaining, 208.253906 MB of memory in use. ENERGY: 381200 746.0058 2036.0143 1933.0001 111.9015 -206198.5085 17956.5570 0.0000 0.0000 34236.4062 -149178.6236 298.9951 -183415.0298 -149085.8232 298.8994 75.6294 109.5920 558067.7762 -4.0313 -4.0526 PRESSURE: 381400 201.866 -111.144 35.5697 -111.145 118.378 98.6867 35.5679 98.6875 90.8831 GPRESSURE: 381400 237.274 -126.118 56.2866 -100.17 118.139 139.434 23.9975 91.121 155.82 PRESSAVG: 381400 2.97523 -53.6445 45.8687 -53.6445 -24.1977 35.8187 45.8687 35.8188 21.4521 GPRESSAVG: 381400 2.8146 -54.0175 43.6903 -50.1073 -23.2545 36.5358 48.514 35.2131 20.48 TIMING: 381400 CPU: 1137.7, 0.00297073/step Wall: 1137.7, 0.00297073/step, 3.81128 hours remaining, 208.253906 MB of memory in use. ENERGY: 381400 718.0236 2069.9989 1926.6818 115.8840 -206157.0877 17909.7523 0.0000 0.0000 34198.3195 -149218.4276 298.6624 -183416.7470 -149120.8952 299.1944 137.0422 170.4111 557153.2330 0.0765 0.0134 PRESSURE: 381600 -264.57 27.5593 100.63 27.5579 -205.41 -36.6565 100.629 -36.656 -284.14 GPRESSURE: 381600 -202.022 32.3134 63.0477 102.431 -254.067 26.3347 191.171 -55.8622 -199.164 PRESSAVG: 381600 -9.90195 30.8202 49.6349 30.8202 -26.7971 32.8595 49.6348 32.8596 25.2814 GPRESSAVG: 381600 -9.31316 29.278 50.6398 29.0769 -28.7015 33.0069 48.0328 34.6062 25.9687 TIMING: 381600 CPU: 1138.29, 0.002964/step Wall: 1138.29, 0.002964/step, 3.80248 hours remaining, 208.253906 MB of memory in use. ENERGY: 381600 733.3977 2056.9011 1947.3113 120.3053 -205827.3579 17408.4442 0.0000 0.0000 34253.4426 -149307.5557 299.1438 -183560.9983 -149205.9918 299.2756 -251.3732 -218.4176 557388.3329 -3.8059 -4.0153 PRESSURE: 381800 42.8828 -118.599 -75.4945 -118.597 -215.391 -119.793 -75.4937 -119.793 -107.256 GPRESSURE: 381800 82.5048 -62.3104 -177.832 -88.9513 -113.738 -108.146 -86.16 -138.885 -143.426 PRESSAVG: 381800 25.9044 -37.7887 32.5779 -37.7888 -9.67409 17.528 32.5778 17.5279 -49.1114 GPRESSAVG: 381800 25.2296 -35.2262 31.3917 -40.1134 -8.78755 15.5641 33.701 16.8604 -49.2809 TIMING: 381800 CPU: 1138.89, 0.00298749/step Wall: 1138.89, 0.00298749/step, 3.83245 hours remaining, 208.253906 MB of memory in use. ENERGY: 381800 743.9090 2112.6032 1928.9584 120.4442 -205933.5923 17642.9808 0.0000 0.0000 34269.5600 -149115.1368 299.2846 -183384.6968 -149015.4370 299.8197 -93.2549 -58.2195 557036.7904 -10.9604 -10.9463 PRESSURE: 382000 -256.839 -39.2679 -10.1631 -39.2688 -88.2493 19.7017 -10.1627 19.7013 -53.4517 GPRESSURE: 382000 -155.285 -10.8658 101.179 -62.7101 -65.8777 2.04096 -7.34336 82.6066 -81.6775 PRESSAVG: 382000 43.3891 -72.9318 -1.60504 -72.9317 -24.8134 -39.9674 -1.60501 -39.9674 -14.8331 GPRESSAVG: 382000 43.9848 -75.6114 -0.852567 -70.8623 -25.273 -41.0627 -3.39142 -38.3402 -15.867 TIMING: 382000 CPU: 1139.48, 0.00297106/step Wall: 1139.48, 0.00297106/step, 3.81121 hours remaining, 208.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 382000 738.3445 2168.7274 1961.0240 133.0958 -206113.5292 17829.3724 0.0000 0.0000 34131.8099 -149151.1553 298.0816 -183282.9652 -149044.6373 299.4085 -132.8468 -100.9466 559230.3872 1.2475 0.9483 PRESSURE: 382200 -30.9023 88.329 41.9385 88.3293 -119.875 -69.1401 41.9404 -69.1403 -288.292 GPRESSURE: 382200 5.80241 115.306 -13.5207 50.0733 -89.8989 -198.352 -72.1343 -2.64544 -254.049 PRESSAVG: 382200 -49.4336 -3.5494 1.01607 -3.54945 23.9342 -27.0793 1.01607 -27.0792 7.81404 GPRESSAVG: 382200 -50.4754 -1.54116 0.78615 -3.1102 24.5873 -25.8334 1.24114 -28.6775 8.29474 TIMING: 382200 CPU: 1140.07, 0.00293699/step Wall: 1140.07, 0.00293699/step, 3.76734 hours remaining, 208.253906 MB of memory in use. ENERGY: 382200 749.9988 2161.7635 1920.8960 102.5013 -206258.2240 17914.3685 0.0000 0.0000 34256.2743 -149152.4215 299.1686 -183408.6958 -149067.2079 299.4756 -146.3564 -112.7151 559526.0705 -5.8951 -5.8645 PRESSURE: 382400 90.7276 -26.7719 99.2864 -26.7709 -242.649 -123.976 99.2877 -123.975 56.4496 GPRESSURE: 382400 96.5428 66.4805 55.4229 -45.9964 -161.955 -198.801 174.917 -4.66956 73.4261 PRESSAVG: 382400 -4.34635 -46.5267 21.1859 -46.5267 24.0223 -42.4026 21.186 -42.4025 -41.6844 GPRESSAVG: 382400 -4.35267 -46.824 21.592 -47.707 24.9302 -42.1039 20.884 -42.4834 -42.9789 TIMING: 382400 CPU: 1140.67, 0.00297691/step Wall: 1140.67, 0.00297691/step, 3.81838 hours remaining, 208.253906 MB of memory in use. ENERGY: 382400 731.1941 2076.9276 1942.6772 106.0778 -206224.2263 17876.7673 0.0000 0.0000 34277.0268 -149213.5556 299.3498 -183490.5824 -149112.6054 299.2739 -31.8241 2.6712 558268.1552 -7.3361 -7.4671 PRESSURE: 382600 149.07 105.402 83.9038 105.4 223.338 -21.1314 83.9051 -21.1308 144.577 GPRESSURE: 382600 173.037 130.845 87.6529 14.6728 257.287 -114.354 45.4594 -9.5368 186.144 PRESSAVG: 382600 1.01024 7.23158 -12.0636 7.23153 -50.9858 -9.58689 -12.0637 -9.58685 16.717 GPRESSAVG: 382600 2.32937 7.05301 -11.0833 7.82289 -52.327 -8.82192 -12.3127 -11.0448 17.4855 TIMING: 382600 CPU: 1141.25, 0.00294421/step Wall: 1141.25, 0.00294421/step, 3.77627 hours remaining, 208.253906 MB of memory in use. ENERGY: 382600 727.4116 2092.5321 1943.0168 121.0285 -206452.8273 18106.2145 0.0000 0.0000 34352.4696 -149110.1544 300.0087 -183462.6240 -149014.7599 299.5160 172.3282 205.4893 557176.6226 -11.0862 -10.8374 PRESSURE: 382800 -75.2745 -48.2582 -43.8788 -48.2588 -279.092 18.6449 -43.8792 18.6428 -146.007 GPRESSURE: 382800 9.3059 -111.733 -88.099 -68.9266 -263.345 26.0401 -14.3749 -8.42428 -149.129 PRESSAVG: 382800 13.9122 -46.2589 -4.81864 -46.2589 -10.3401 37.3872 -4.81858 37.3871 -4.47072 GPRESSAVG: 382800 14.3115 -48.4816 -5.56776 -46.9781 -10.8192 37.1514 -5.2835 40.5592 -4.02007 TIMING: 382800 CPU: 1141.84, 0.00294715/step Wall: 1141.84, 0.00294715/step, 3.77988 hours remaining, 208.253906 MB of memory in use. ENERGY: 382800 731.4146 2074.3495 1945.4783 125.5957 -206236.2214 17887.1729 0.0000 0.0000 34354.6091 -149117.6013 300.0273 -183472.2104 -149023.8859 299.8716 -166.7913 -134.3895 558453.9938 -0.2995 -0.1759 PRESSURE: 383000 189.128 -92.2127 -163.478 -92.2123 96.7817 -54.0596 -163.478 -54.0598 -62.4239 GPRESSURE: 383000 172.067 3.75697 -64.7274 -42.88 145.978 -35.374 -200.032 12.5651 11.3591 PRESSAVG: 383000 15.1159 -23.4338 -40.8621 -23.4337 32.2715 -27.4533 -40.862 -27.4534 -68.8585 GPRESSAVG: 383000 13.6003 -21.0001 -39.4243 -23.6003 34.3417 -26.0898 -40.5131 -29.1984 -69.0738 TIMING: 383000 CPU: 1142.44, 0.00297507/step Wall: 1142.44, 0.00297507/step, 3.81553 hours remaining, 208.253906 MB of memory in use. ENERGY: 383000 751.6842 2078.7852 1915.0386 110.3033 -206316.8096 17940.3628 0.0000 0.0000 34315.9373 -149204.6982 299.6896 -183520.6355 -149106.8798 299.6999 74.4952 109.8016 557828.8764 -7.1570 -7.0439 PRESSURE: 383200 -71.1775 -83.6205 19.1917 -83.6209 -275.91 9.29152 19.1927 9.29068 -72.4476 GPRESSURE: 383200 -69.2053 -36.7405 -35.3279 -64.7916 -278.173 27.5502 42.7453 -18.0708 35.3272 PRESSAVG: 383200 30.309 -27.685 35.284 -27.685 12.4197 6.20551 35.2839 6.2056 -17.9155 GPRESSAVG: 383200 30.443 -29.4208 33.7783 -28.3317 11.0233 3.93247 35.375 8.19156 -16.9145 TIMING: 383200 CPU: 1143.03, 0.00295199/step Wall: 1143.03, 0.00295199/step, 3.78576 hours remaining, 208.253906 MB of memory in use. ENERGY: 383200 752.6345 2098.2175 1952.2888 105.5784 -205992.3735 17674.1363 0.0000 0.0000 34331.3229 -149078.1952 299.8240 -183409.5180 -148983.0056 300.0429 -139.8450 -104.0171 558126.8065 8.2710 8.1839 PRESSURE: 383400 299.772 -21.721 -34.3494 -21.7204 220.88 75.7637 -34.3509 75.7634 124.216 GPRESSURE: 383400 362.311 -17.5959 3.47511 -38.7598 277.485 122.346 -22.5301 5.11515 103.373 PRESSAVG: 383400 43.5617 10.3978 -20.4063 10.3978 7.16712 7.37802 -20.4064 7.37795 -32.4094 GPRESSAVG: 383400 44.1514 11.9535 -21.56 10.8746 7.72589 8.01278 -20.6212 6.20894 -33.5845 TIMING: 383400 CPU: 1143.62, 0.00295122/step Wall: 1143.62, 0.00295122/step, 3.78461 hours remaining, 208.253906 MB of memory in use. ENERGY: 383400 707.8750 2103.5506 1960.1571 104.7691 -206103.7295 17964.5563 0.0000 0.0000 34278.8129 -148984.0085 299.3654 -183262.8214 -148890.0432 299.9802 214.9559 247.7230 556001.3094 6.1065 6.0976 PRESSURE: 383600 42.9677 -204.393 -30.4119 -204.394 -88.7566 -68.3459 -30.4117 -68.3474 -82.9416 GPRESSURE: 383600 87.0009 -215.693 -44.0206 -199.1 -71.6254 -47.5711 11.865 -113.56 -49.8164 PRESSAVG: 383600 4.1575 -12.2926 7.49873 -12.2927 4.61284 -34.2899 7.49872 -34.29 -40.1542 GPRESSAVG: 383600 3.71915 -13.8574 7.14004 -10.8241 4.29122 -32.0659 8.74367 -35.5128 -39.6982 TIMING: 383600 CPU: 1144.21, 0.00294315/step Wall: 1144.21, 0.00294315/step, 3.7741 hours remaining, 208.253906 MB of memory in use. ENERGY: 383600 739.0895 2093.9784 1914.2674 108.2076 -206329.8935 17807.5778 0.0000 0.0000 34543.9343 -149122.8386 301.6808 -183666.7729 -149024.0490 299.2884 -42.9102 -11.4803 556726.3911 -10.4613 -10.5626 PRESSURE: 383800 21.429 -95.9293 10.4892 -95.9294 -111.34 26.5569 10.4901 26.5582 -60.4004 GPRESSURE: 383800 41.5472 -151.794 73.1349 -152.954 -145.517 94.6075 -40.8031 -31.2246 55.891 PRESSAVG: 383800 60.3745 -28.7299 10.8027 -28.7299 -22.7927 -32.731 10.8027 -32.7311 -51.5715 GPRESSAVG: 383800 60.0996 -29.1142 11.1182 -29.3444 -23.1437 -34.5365 10.311 -30.4027 -51.2358 TIMING: 383800 CPU: 1144.8, 0.00295218/step Wall: 1144.8, 0.00295218/step, 3.78551 hours remaining, 208.253906 MB of memory in use. ENERGY: 383800 735.7319 2145.5494 1933.3278 101.9670 -205735.0122 17499.3462 0.0000 0.0000 34350.9084 -148968.1815 299.9950 -183319.0899 -148877.7181 299.9590 -50.1038 -16.0261 556414.2211 -4.6632 -4.7600 PRESSURE: 384000 232.137 144.522 62.0266 144.522 -73.2443 77.803 62.0255 77.8025 132.01 GPRESSURE: 384000 266.61 220.355 46.0826 66.5112 -23.6569 34.0976 -94.6605 60 146.475 PRESSAVG: 384000 -29.8918 21.7482 -88.9611 21.7482 -16.8001 53.3518 -88.9612 53.3518 40.5196 GPRESSAVG: 384000 -29.3705 20.2861 -89.2594 23.6712 -16.4473 51.6791 -91.1396 53.8712 39.8346 TIMING: 384000 CPU: 1145.39, 0.00295517/step Wall: 1145.39, 0.00295517/step, 3.78919 hours remaining, 208.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 384000 734.5087 2064.1828 1963.2804 140.1196 -206004.7960 17798.3025 0.0000 0.0000 34270.2888 -149034.1133 299.2910 -183304.4021 -148939.4014 299.8869 96.9673 129.8094 554945.6555 -2.0574 -1.9944 PRESSURE: 384200 -52.2957 -11.9161 3.42512 -11.9155 6.38279 -144.418 3.42366 -144.419 -340.842 GPRESSURE: 384200 5.33075 -2.09322 -54.5712 -47.9446 35.7512 -85.455 17.6935 -192.586 -326.748 PRESSAVG: 384200 61.132 4.15215 -60.805 4.1522 -24.3326 25.6736 -60.805 25.6736 -16.9227 GPRESSAVG: 384200 60.3415 7.67159 -60.0747 3.19547 -23.7578 26.1308 -59.8107 25.4967 -16.6696 TIMING: 384200 CPU: 1145.99, 0.00298412/step Wall: 1145.99, 0.00298412/step, 3.82614 hours remaining, 208.253906 MB of memory in use. ENERGY: 384200 768.8263 2093.0613 1919.7624 113.6623 -205814.4207 17535.1140 0.0000 0.0000 34390.6170 -148993.3775 300.3418 -183383.9945 -148898.1616 300.5845 -128.9182 -95.2220 556338.4162 6.6256 6.6380 LDB: ============= START OF LOAD BALANCING ============== 1149.54 LDB: ============== END OF LOAD BALANCING =============== 1149.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1149.54 LDB: ============= START OF LOAD BALANCING ============== 1149.84 LDB: Largest compute 4773 load 0.027074 is 22.9% of average load 0.118066 LDB: Average compute 0.001736 is 1.5% of average load 0.118066 LDB: TIME 1149.84 LOAD: AVG 0.118066 MAX 0.206869 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.574 MB LDB: TIME 1149.84 LOAD: AVG 0.118066 MAX 0.206869 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.832 MB LDB: TIME 1149.84 LOAD: AVG 0.118066 MAX 0.206869 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.832 MB LDB: ============== END OF LOAD BALANCING =============== 1149.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1149.85 PRESSURE: 384400 -169.037 85.4461 81.8377 85.446 136.875 -88.4422 81.8379 -88.4428 174.157 GPRESSURE: 384400 -92.9009 101.461 145.563 46.7264 168.815 -120.297 16.0039 -85.8572 177.585 PRESSAVG: 384400 2.98028 12.7946 -41.7505 12.7946 42.2484 0.202713 -41.7505 0.20278 -55.308 GPRESSAVG: 384400 3.54263 11.3829 -41.696 13.4767 40.3132 -0.9469 -41.1624 1.29266 -53.5288 TIMING: 384400 CPU: 1146.6, 0.00305466/step Wall: 1146.6, 0.00305466/step, 3.91641 hours remaining, 207.085938 MB of memory in use. ENERGY: 384400 730.8887 2105.4791 1929.7011 103.1844 -205645.4297 17750.1568 0.0000 0.0000 34100.9952 -148925.0244 297.8125 -183026.0196 -148831.9217 300.4680 47.3316 84.4997 557479.3238 -3.3598 -3.2243 PRESSURE: 384600 133.307 -37.2862 46.463 -37.288 261.232 -66.2195 46.462 -66.2191 249.573 GPRESSURE: 384600 177.522 -125.393 64.113 -3.67882 245.308 -80.8155 21.6587 -41.0029 322.398 PRESSAVG: 384600 16.8248 -5.88561 -10.5177 -5.88558 5.47535 2.19877 -10.5176 2.19874 -45.8346 GPRESSAVG: 384600 17.7125 -5.84234 -10.9868 -6.68959 6.08247 5.00348 -10.5761 0.460424 -47.4696 TIMING: 384600 CPU: 1147.19, 0.00296882/step Wall: 1147.19, 0.00296882/step, 3.80619 hours remaining, 207.085938 MB of memory in use. ENERGY: 384600 690.8019 2135.5717 1896.9510 111.9892 -205938.9564 17923.0871 0.0000 0.0000 34383.0907 -148797.4649 300.2761 -183180.5556 -148697.8755 300.2000 214.7040 248.4093 557164.4763 -7.8448 -7.8916 PRESSURE: 384800 174.765 -7.25058 11.3269 -7.25055 -63.9441 163.724 11.326 163.725 -3.83532 GPRESSURE: 384800 212.616 -45.5523 45.4286 -18.4689 -72.797 110.747 14.0132 184.421 64.8888 PRESSAVG: 384800 72.9644 -55.9189 -24.9231 -55.9189 -31.3449 55.4718 -24.923 55.4718 28.48 GPRESSAVG: 384800 71.3537 -54.6103 -25.4382 -57.2181 -30.557 53.6065 -23.5865 56.8179 28.9803 TIMING: 384800 CPU: 1147.79, 0.00299315/step Wall: 1147.79, 0.00299315/step, 3.83722 hours remaining, 207.085938 MB of memory in use. ENERGY: 384800 714.4109 2090.6930 1933.6367 116.0351 -205691.7982 17659.5792 0.0000 0.0000 34167.8162 -149009.6271 298.3960 -183177.4433 -148913.6347 300.1565 35.6619 68.2359 557529.7670 23.3665 23.2590 PRESSURE: 385000 -157.87 30.3563 110.839 30.358 -156.113 17.9472 110.84 17.9461 -365.73 GPRESSURE: 385000 -75.5462 79.716 115.528 -41.7483 -137.964 20.4665 148.903 -42.0705 -360.421 PRESSAVG: 385000 -45.1279 5.13451 62.8529 5.13457 -4.49452 -12.1235 62.8529 -12.1234 84.7585 GPRESSAVG: 385000 -45.2007 4.37901 61.7463 6.14686 -5.60961 -11.339 61.1927 -13.2239 84.9752 TIMING: 385000 CPU: 1148.38, 0.00296888/step Wall: 1148.38, 0.00296888/step, 3.80594 hours remaining, 207.085938 MB of memory in use. ENERGY: 385000 782.6097 2039.5652 1966.6335 114.1636 -205694.9619 17548.0291 0.0000 0.0000 34407.8137 -148836.1472 300.4920 -183243.9609 -148743.5368 299.7819 -226.5712 -191.3105 558657.6985 11.7120 11.3883 PRESSURE: 385200 -83.4561 -56.1268 60.7226 -56.1268 174.066 96.3668 60.7223 96.3668 301.282 GPRESSURE: 385200 -33.1053 -18.5595 82.5515 8.67887 225.362 136.73 83.2443 48.0517 294.46 PRESSAVG: 385200 18.8996 -38.3198 25.2222 -38.3198 -40.4099 -8.01413 25.222 -8.01419 37.7312 GPRESSAVG: 385200 18.8524 -36.8066 27.0089 -41.1252 -39.494 -8.52437 25.1444 -8.30676 37.0025 TIMING: 385200 CPU: 1148.98, 0.00296807/step Wall: 1148.98, 0.00296807/step, 3.80474 hours remaining, 207.085938 MB of memory in use. ENERGY: 385200 756.6585 2045.1556 1945.3236 111.5457 -206020.5075 17889.0472 0.0000 0.0000 34443.3303 -148829.4466 300.8022 -183272.7769 -148729.5909 300.4068 130.6305 162.2390 558004.8863 5.4070 5.4537 PRESSURE: 385400 -80.5464 96.8415 122.861 96.8417 -135.64 46.4526 122.86 46.4527 -149.399 GPRESSURE: 385400 -44.3663 18.6843 135.44 95.8467 -139.52 118.267 111.384 20.7453 -78.0427 PRESSAVG: 385400 53.8963 -48.9095 1.23723 -48.9095 -60.804 0.955027 1.23713 0.955081 15.9509 GPRESSAVG: 385400 54.0638 -50.5784 0.653266 -46.4672 -60.6421 0.380104 2.05716 3.07522 15.6042 TIMING: 385400 CPU: 1149.57, 0.00298029/step Wall: 1149.57, 0.00298029/step, 3.82024 hours remaining, 207.085938 MB of memory in use. ENERGY: 385400 761.7027 2109.5870 1940.3960 99.8046 -205934.9579 17686.5494 0.0000 0.0000 34507.7183 -148829.2000 301.3645 -183336.9183 -148730.5136 300.1357 -121.8618 -87.3098 559806.9837 3.0144 3.0086 PRESSURE: 385600 -174.662 131.421 -101.709 131.422 229.639 79.318 -101.706 79.3201 -191.664 GPRESSURE: 385600 -177.294 -3.51525 -149.566 310.626 280.12 21.84 -76.9048 47.6807 -139.158 PRESSAVG: 385600 -11.0008 54.8909 6.69313 54.8908 -42.5305 22.131 6.69325 22.1309 29.2821 GPRESSAVG: 385600 -11.4326 55.2288 6.00228 54.9191 -42.4238 23.9281 7.92896 20.6825 29.2154 TIMING: 385600 CPU: 1150.16, 0.00295579/step Wall: 1150.16, 0.00295579/step, 3.78867 hours remaining, 207.085938 MB of memory in use. ENERGY: 385600 749.6413 2104.7788 1961.1497 104.9504 -206558.6159 18051.5702 0.0000 0.0000 34363.3930 -149223.1326 300.1041 -183586.5255 -149120.2971 299.6417 -45.5621 -12.1106 558612.8147 -8.0831 -8.2137 PRESSURE: 385800 -291.903 -74.2861 86.7558 -74.2867 -145.755 -42.5218 86.7557 -42.5227 -408.275 GPRESSURE: 385800 -254.198 -68.6195 64.95 -114.867 -85.3354 -81.62 178.379 7.74275 -415.146 PRESSAVG: 385800 -16.9394 37.6038 39.1986 37.6038 -12.9254 -5.48002 39.1985 -5.48 16.0931 GPRESSAVG: 385800 -16.9899 37.742 38.7099 36.8474 -12.6583 -5.76644 39.1284 -4.63355 16.0321 TIMING: 385800 CPU: 1150.76, 0.0029635/step Wall: 1150.76, 0.0029635/step, 3.79839 hours remaining, 207.085938 MB of memory in use. ENERGY: 385800 741.2296 2069.8839 1983.1932 112.0677 -205544.4417 17271.4992 0.0000 0.0000 34237.8761 -149128.6920 299.0079 -183366.5680 -149025.4854 299.4303 -281.9778 -251.5600 558914.0712 -4.5906 -4.5387 PRESSURE: 386000 60.9447 82.1966 192.618 82.1971 -178.625 27.6395 192.618 27.6385 49.508 GPRESSURE: 386000 135.04 108.599 179.463 73.8165 -156.892 10.5885 121.641 21.2399 48.7493 PRESSAVG: 386000 -82.7933 5.52073 28.7078 5.52072 3.54586 52.9975 28.7076 52.9975 71.8839 GPRESSAVG: 386000 -83.06 5.90903 29.4574 5.11135 3.4441 50.6777 28.1063 54.5452 72.8906 TIMING: 386000 CPU: 1151.35, 0.00295824/step Wall: 1151.35, 0.00295824/step, 3.79148 hours remaining, 207.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 386000 755.0470 2130.6608 1957.0338 107.6091 -206060.8529 17663.1839 0.0000 0.0000 34225.3936 -149221.9247 298.8989 -183447.3183 -149124.3223 299.3312 -22.7242 8.9657 557010.3446 -2.4545 -2.2418 PRESSURE: 386200 -250.159 -1.36481 3.22512 -1.36384 3.704 151.607 3.22532 151.606 -77.5495 GPRESSURE: 386200 -207.076 8.69952 -144.23 -39.4314 2.22187 81.4965 92.7163 146.777 -21.0554 PRESSAVG: 386200 -34.3037 49.2533 -24.9146 49.2534 -13.6396 -0.886194 -24.9147 -0.88629 71.4572 GPRESSAVG: 386200 -33.2905 51.0405 -24.5331 48.246 -14.0316 0.876792 -26.048 -3.54125 70.8047 TIMING: 386200 CPU: 1151.94, 0.00296151/step Wall: 1151.94, 0.00296151/step, 3.7955 hours remaining, 207.085938 MB of memory in use. ENERGY: 386200 737.8791 2139.1225 1951.7263 104.9668 -206068.3693 17719.4501 0.0000 0.0000 34270.4568 -149144.7678 299.2924 -183415.2246 -149043.2634 299.3190 -108.0015 -75.3032 558137.5620 7.8380 7.8275 PRESSURE: 386400 -157.108 169.129 166.225 169.13 -115.96 206.655 166.225 206.654 22.8198 GPRESSURE: 386400 -129.927 182.397 130.049 124.515 -71.1632 205.158 164.489 132.071 44.0397 PRESSAVG: 386400 -91.098 43.005 -4.98622 43.005 68.3857 34.7688 -4.98619 34.7689 58.094 GPRESSAVG: 386400 -90.7526 40.9848 -6.91272 44.8258 67.7601 35.9504 -3.71619 35.6936 58.007 TIMING: 386400 CPU: 1152.54, 0.00297064/step Wall: 1152.54, 0.00297064/step, 3.80704 hours remaining, 207.085938 MB of memory in use. ENERGY: 386400 747.0106 2177.0782 1970.1857 116.0800 -206326.4576 17731.5752 0.0000 0.0000 34363.3149 -149221.2131 300.1034 -183584.5280 -149125.1903 299.9401 -83.4157 -52.3503 556665.4678 11.7939 11.6715 PRESSURE: 386600 -433.819 -61.7248 221.148 -61.7214 102.873 150.443 221.149 150.444 -161.29 GPRESSURE: 386600 -387.793 -42.9402 196.603 -162.87 114.749 69.7119 223.38 212.253 -105.874 PRESSAVG: 386600 -19.2346 28.3947 -21.9609 28.3947 2.47841 41.9939 -21.9609 41.9939 54.9478 GPRESSAVG: 386600 -20.4362 30.208 -20.596 27.2674 2.89685 40.8704 -21.5206 43.7609 55.1507 TIMING: 386600 CPU: 1153.13, 0.00296753/step Wall: 1153.13, 0.00296753/step, 3.80289 hours remaining, 207.085938 MB of memory in use. ENERGY: 386600 714.2692 2106.8563 1945.7067 115.4904 -206039.0585 17571.5217 0.0000 0.0000 34351.8498 -149233.3645 300.0032 -183585.2143 -149137.5818 298.8313 -164.0787 -126.3061 557674.0789 12.7306 12.5371 PRESSURE: 386800 -66.4354 -26.2323 -120.879 -26.2325 -69.5125 5.43394 -120.878 5.43448 155.703 GPRESSURE: 386800 -0.975654 -52.3057 -106.408 20.356 -77.2304 -58.1418 -177.357 -54.5344 195.553 PRESSAVG: 386800 -12.3864 14.3269 54.6371 14.327 60.6209 -0.764448 54.6371 -0.764491 -57.8479 GPRESSAVG: 386800 -11.711 13.6329 54.8967 14.6014 60.4475 -0.809799 54.2649 -1.95753 -58.0799 TIMING: 386800 CPU: 1153.72, 0.00297383/step Wall: 1153.72, 0.00297383/step, 3.8108 hours remaining, 207.085938 MB of memory in use. ENERGY: 386800 721.1926 2112.3517 1924.6939 123.4035 -205983.4621 17531.7745 0.0000 0.0000 34207.6000 -149362.4459 298.7435 -183570.0459 -149268.3072 298.9595 6.5850 39.1157 556334.4680 -3.2045 -3.1145 PRESSURE: 387000 -68.4949 -175.914 6.74411 -175.914 -205.269 118.073 6.74333 118.073 -116.048 GPRESSURE: 387000 -43.7373 -74.0404 -102.788 -153.861 -165.285 65.7058 98.9026 118.57 -78.9228 PRESSAVG: 387000 -0.801265 -13.8605 40.0958 -13.8605 0.0980493 11.5005 40.0957 11.5006 -6.40272 GPRESSAVG: 387000 -0.713588 -14.557 38.6524 -12.8663 0.187478 11.5746 40.4726 10.5999 -6.48474 TIMING: 387000 CPU: 1154.32, 0.00298832/step Wall: 1154.32, 0.00298832/step, 3.8292 hours remaining, 207.085938 MB of memory in use. ENERGY: 387000 731.8214 2141.4630 1950.8829 113.7448 -206356.2771 17657.5682 0.0000 0.0000 34260.1774 -149500.6193 299.2027 -183760.7967 -149401.6484 299.3410 -129.9372 -95.9817 556651.5289 -2.3686 -2.3370 PRESSURE: 387200 251.835 -42.3711 71.9882 -42.3701 -28.455 60.4901 71.9874 60.4901 105.372 GPRESSURE: 387200 273.698 -89.7523 92.2373 -6.33528 7.74104 120.197 63.2699 40.7384 153.63 PRESSAVG: 387200 28.3566 26.6744 -12.1097 26.6744 -73.5872 17.378 -12.1097 17.378 33.8517 GPRESSAVG: 387200 29.5263 26.2611 -11.5528 26.4519 -73.2506 16.0212 -11.8532 19.809 32.9451 TIMING: 387200 CPU: 1154.92, 0.00298666/step Wall: 1154.92, 0.00298666/step, 3.82691 hours remaining, 207.085938 MB of memory in use. ENERGY: 387200 765.9933 2158.3422 1953.5973 117.2880 -206741.2224 18127.5474 0.0000 0.0000 34255.5861 -149362.8681 299.1626 -183618.4541 -149267.7222 298.4638 109.5840 145.0230 555991.1470 -3.7930 -3.5931 PRESSURE: 387400 -249.75 -10.8658 86.9399 -10.8666 -105.766 119.11 86.9403 119.109 -310.493 GPRESSURE: 387400 -231.527 -15.9942 52.1741 -105.89 -76.163 68.1377 16.8073 154.458 -258.488 PRESSAVG: 387400 -16.1399 -0.686142 15.3386 -0.686129 34.0445 39.4382 15.3386 39.4382 -39.8558 GPRESSAVG: 387400 -17.8181 -1.82251 14.8448 -0.409213 34.1179 40.7904 14.9118 38.706 -38.6895 TIMING: 387400 CPU: 1155.51, 0.00295482/step Wall: 1155.51, 0.00295482/step, 3.78595 hours remaining, 207.085938 MB of memory in use. ENERGY: 387400 754.3312 2090.8706 1928.0439 111.5808 -206323.8630 17683.7815 0.0000 0.0000 34527.7005 -149227.5545 301.5390 -183755.2550 -149126.9443 299.7866 -222.0031 -188.7261 557941.7704 -7.3170 -7.4632 PRESSURE: 387600 -232.061 15.5241 47.5209 15.5237 -197.488 -35.8709 47.5209 -35.8702 -406.452 GPRESSURE: 387600 -226.269 -8.49619 -1.37904 67.4539 -108.072 -38.6149 -14.6988 -46.7851 -404.899 PRESSAVG: 387600 28.8863 10.5949 56.8376 10.5949 -18.7661 -15.3076 56.8376 -15.3076 1.35515 GPRESSAVG: 387600 30.4287 11.6445 58.5991 11.5326 -19.2394 -14.6767 57.7179 -16.0531 0.422436 TIMING: 387600 CPU: 1156.1, 0.00294695/step Wall: 1156.1, 0.00294695/step, 3.7757 hours remaining, 207.085938 MB of memory in use. ENERGY: 387600 736.8115 2057.7374 1905.3877 119.2445 -205775.5858 17326.2083 0.0000 0.0000 34265.7745 -149364.4219 299.2515 -183630.1963 -149266.9679 299.5439 -278.6672 -246.4133 558971.3373 3.8251 3.8706 PRESSURE: 387800 41.0409 10.7591 90.8639 10.7597 183.729 28.4675 90.8643 28.4655 -53.1214 GPRESSURE: 387800 48.6785 -33.5873 208.256 28.6016 203.41 104.852 92.0903 -94.1672 8.42079 PRESSAVG: 387800 0.893643 -32.3662 80.7267 -32.3662 7.02728 -8.76469 80.7267 -8.76461 0.0473069 GPRESSAVG: 387800 1.43935 -33.5584 78.1435 -32.8005 6.05226 -9.18337 81.719 -9.00406 -0.191814 TIMING: 387800 CPU: 1156.69, 0.00294464/step Wall: 1156.69, 0.00294464/step, 3.77257 hours remaining, 207.085938 MB of memory in use. ENERGY: 387800 721.1093 2111.2202 1912.3038 104.7601 -206383.4966 17956.3016 0.0000 0.0000 34181.7490 -149396.0524 298.5177 -183577.8015 -149304.2775 299.0705 57.2162 86.8365 557641.4184 2.6561 2.4333 PRESSURE: 388000 229.35 -103.415 -60.9 -103.417 176.359 -41.458 -60.9009 -41.459 140.869 GPRESSURE: 388000 249.811 -53.4999 -53.8314 -17.0569 172.328 -63.1495 -79.6838 -96.8941 226.202 PRESSAVG: 388000 -9.80054 12.3702 44.0627 12.3701 6.88427 28.2566 44.0626 28.2566 4.04693 GPRESSAVG: 388000 -10.4998 12.4472 46.2335 11.8654 7.49283 28.8324 42.8492 28.9156 4.80432 TIMING: 388000 CPU: 1157.28, 0.00295627/step Wall: 1157.28, 0.00295627/step, 3.78732 hours remaining, 207.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 388000 753.8275 2111.0076 1924.5407 112.2864 -206814.2825 18216.2506 0.0000 0.0000 34452.3203 -149244.0495 300.8807 -183696.3698 -149146.2334 299.1737 182.1926 216.1138 556526.8090 0.3769 0.5991 PRESSURE: 388200 71.9632 21.4297 86.2621 21.4294 -143.599 123.673 86.2627 123.674 -23.424 GPRESSURE: 388200 64.6528 57.5583 45.6462 -39.597 -94.1165 87.8356 106.862 147.561 17.185 PRESSAVG: 388200 23.7474 -47.8873 5.67662 -47.8873 -39.4078 -28.8415 5.67664 -28.8414 48.7322 GPRESSAVG: 388200 23.5107 -45.6367 6.52944 -48.3652 -39.3386 -28.0565 5.04506 -29.723 49.1079 TIMING: 388200 CPU: 1157.87, 0.00296313/step Wall: 1157.87, 0.00296314/step, 3.79594 hours remaining, 207.085938 MB of memory in use. ENERGY: 388200 748.3293 2086.5698 1908.8251 118.3935 -206082.4495 17712.0124 0.0000 0.0000 34246.3516 -149261.9678 299.0819 -183508.3194 -149165.7008 299.7918 -31.6865 -4.0929 557525.2995 11.0240 11.0933 LDB: ============= START OF LOAD BALANCING ============== 1161.42 LDB: ============== END OF LOAD BALANCING =============== 1161.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1161.42 LDB: ============= START OF LOAD BALANCING ============== 1161.72 LDB: Largest compute 4795 load 0.029085 is 24.6% of average load 0.118033 LDB: Average compute 0.001730 is 1.5% of average load 0.118033 LDB: TIME 1161.72 LOAD: AVG 0.118033 MAX 0.20534 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.086 MB LDB: TIME 1161.72 LOAD: AVG 0.118033 MAX 0.20534 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.09 MB LDB: TIME 1161.72 LOAD: AVG 0.118033 MAX 0.20534 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.09 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1161.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1161.72 PRESSURE: 388400 168.708 -51.6391 2.57051 -51.64 -32.2641 -21.0766 2.5708 -21.0754 -168.639 GPRESSURE: 388400 188.232 -84.4515 61.3638 32.4931 -7.00634 0.677653 11.6905 -35.718 -118.636 PRESSAVG: 388400 57.158 4.4922 47.976 4.49218 -10.3206 59.9373 47.9761 59.9374 -61.6644 GPRESSAVG: 388400 56.97 1.8789 47.2379 4.62172 -9.92864 59.0866 49.0348 58.3226 -61.8744 TIMING: 388400 CPU: 1158.47, 0.00301674/step Wall: 1158.47, 0.00301674/step, 3.86444 hours remaining, 207.089844 MB of memory in use. ENERGY: 388400 732.3093 2143.4172 1904.7643 101.9596 -205694.6630 17530.1345 0.0000 0.0000 34094.5815 -149187.4966 297.7565 -183282.0780 -149089.6726 299.0162 -10.7318 20.8632 557099.6566 -4.9423 -4.9443 PRESSURE: 388600 115.877 131.881 45.0438 131.881 -80.805 -48.9315 45.0447 -48.9293 25.9323 GPRESSURE: 388600 138.443 148.271 127.932 100.868 -43.6118 -11.7214 14.2907 -15.1759 67.0253 PRESSAVG: 388600 26.4079 4.17254 -18.0734 4.17264 3.58439 14.8465 -18.0733 14.8464 -15.3275 GPRESSAVG: 388600 25.2845 5.88676 -17.2821 4.18058 4.60407 14.7386 -20.057 15.1502 -14.8936 TIMING: 388600 CPU: 1159.07, 0.00297681/step Wall: 1159.07, 0.00297681/step, 3.81313 hours remaining, 207.550781 MB of memory in use. ENERGY: 388600 764.4881 2082.8949 1935.5543 112.6683 -206198.0462 17868.9130 0.0000 0.0000 34219.6465 -149213.8810 298.8487 -183433.5276 -149111.4470 299.3945 20.3349 53.9521 557648.6346 4.8883 4.9983 PRESSURE: 388800 335.357 -125.162 147.854 -125.162 92.6986 -48.6427 147.854 -48.6442 142.692 GPRESSURE: 388800 341.909 -137.13 177.578 -106.762 139.428 -14.4368 171.739 -75.9778 199.852 PRESSAVG: 388800 14.4668 26.6831 -6.81924 26.6831 -2.76808 -18.1651 -6.81921 -18.1651 -2.55777 GPRESSAVG: 388800 16.4953 26.9966 -9.59461 23.9547 -4.02923 -16.9798 -5.73255 -17.9454 -2.80217 TIMING: 388800 CPU: 1159.66, 0.00297112/step Wall: 1159.66, 0.00297112/step, 3.80567 hours remaining, 207.550781 MB of memory in use. ENERGY: 388800 719.0815 2127.8452 1933.2164 112.7948 -206687.6240 18232.8010 0.0000 0.0000 34492.2445 -149069.6406 301.2293 -183561.8851 -148971.4390 299.4018 190.2492 227.0632 557034.2933 3.0470 3.2213 PRESSURE: 389000 -124.117 3.57181 86.1434 3.57093 -138.734 -184.489 86.1441 -184.49 -214.509 GPRESSURE: 389000 -109.205 77.5042 82.3657 -13.3437 -60.2527 -157.678 157.739 -226.704 -215.259 PRESSAVG: 389000 25.9704 2.18562 -19.7254 2.18562 -16.695 -13.3387 -19.7254 -13.3386 2.99403 GPRESSAVG: 389000 26.7268 2.01043 -19.0885 4.86466 -17.0437 -15.4208 -17.9234 -12.8174 2.09103 TIMING: 389000 CPU: 1160.26, 0.00296655/step Wall: 1160.26, 0.00296655/step, 3.79966 hours remaining, 207.550781 MB of memory in use. ENERGY: 389000 725.5756 2060.7047 1958.0371 111.9101 -206017.3630 17656.3378 0.0000 0.0000 34449.9138 -149054.8839 300.8597 -183504.7977 -148961.9013 299.6926 -159.1199 -128.2386 559578.4807 4.0898 3.9247 PRESSURE: 389200 -43.8172 -108.719 -34.0532 -108.718 179.488 97.0426 -34.0523 97.0412 95.19 GPRESSURE: 389200 -19.4877 -17.7423 -39.7536 -191.923 199.775 110.843 -29.6512 45.2134 152.704 PRESSAVG: 389200 -56.0569 39.4612 2.70206 39.4613 45.4123 -46.8522 2.70212 -46.852 30.8358 GPRESSAVG: 389200 -56.9022 40.0866 4.50584 37.683 45.0898 -46.2475 -0.250532 -46.3476 31.7958 TIMING: 389200 CPU: 1160.86, 0.00298984/step Wall: 1160.86, 0.00298984/step, 3.82932 hours remaining, 207.550781 MB of memory in use. ENERGY: 389200 766.9962 2081.4856 1918.0952 100.6859 -206215.8281 17909.5250 0.0000 0.0000 34373.6929 -149065.3472 300.1940 -183439.0401 -148969.8227 299.4903 76.9536 110.9973 557894.3430 6.7304 6.6611 PRESSURE: 389400 372.322 -53.2918 -43.7401 -53.2908 64.003 92.0394 -43.7396 92.0401 51.0087 GPRESSURE: 389400 399.752 46.6661 6.06967 -13.0382 77.2226 99.009 -89.6369 25.3915 91.8765 PRESSAVG: 389400 -3.41669 9.37537 -26.7681 9.37538 -10.3139 -6.8662 -26.7682 -6.86638 25.8693 GPRESSAVG: 389400 -4.56557 10.2224 -26.3847 10.3323 -8.42988 -5.86541 -27.6911 -8.95303 25.027 TIMING: 389400 CPU: 1161.45, 0.00295057/step Wall: 1161.45, 0.00295057/step, 3.77886 hours remaining, 207.550781 MB of memory in use. ENERGY: 389400 739.6202 2077.2867 1919.3625 115.7733 -206136.9761 17898.7310 0.0000 0.0000 34190.6632 -149195.5391 298.5956 -183386.2023 -149099.9552 298.8947 162.4445 189.6169 557778.7589 4.0462 4.0105 PRESSURE: 389600 141.759 42.1865 -52.3597 42.1866 -2.04528 -62.1326 -52.3597 -62.1329 -130.943 GPRESSURE: 389600 170.016 39.1866 -71.4265 -20.4076 -12.8967 -15.7638 -16.489 -134.136 -49.4815 PRESSAVG: 389600 74.0826 -30.3436 18.5433 -30.3436 -62.4323 38.7696 18.5432 38.7695 1.31593 GPRESSAVG: 389600 74.261 -29.2168 18.7066 -30.1562 -63.348 38.7829 19.6169 40.3842 1.65368 TIMING: 389600 CPU: 1162.04, 0.00298425/step Wall: 1162.04, 0.00298425/step, 3.82183 hours remaining, 207.550781 MB of memory in use. ENERGY: 389600 732.3414 2153.2308 1928.0701 115.0828 -205981.3184 17742.7292 0.0000 0.0000 34205.2417 -149104.6224 298.7229 -183309.8641 -149005.5095 299.2120 2.9236 35.8793 558222.5151 4.3221 4.1889 PRESSURE: 389800 -161.751 94.8096 48.3912 94.8101 -96.428 -192.88 48.3892 -192.88 -181.495 GPRESSURE: 389800 -119.946 8.20993 116.815 172.168 -38.434 -194.061 31.6604 -206.549 -172.641 PRESSAVG: 389800 -32.1899 17.4067 37.0823 17.4068 13.0799 28.4572 37.0824 28.4572 32.3105 GPRESSAVG: 389800 -31.4959 17.7264 35.8568 17.4205 13.7614 26.1428 37.4702 27.4209 31.1802 TIMING: 389800 CPU: 1162.64, 0.00298715/step Wall: 1162.64, 0.00298715/step, 3.82537 hours remaining, 207.550781 MB of memory in use. ENERGY: 389800 737.4800 2141.3520 1944.0485 99.7192 -205568.1157 17466.8524 0.0000 0.0000 34215.2652 -148963.3983 298.8104 -183178.6635 -148864.1670 299.9799 -146.5579 -110.3402 558283.3466 4.4001 4.4819 PRESSURE: 390000 -126.525 76.5807 50.1844 76.5799 -41.7836 -7.80836 50.1842 -7.80765 -187.68 GPRESSURE: 390000 -88.3437 52.7411 31.443 153.549 42.628 20.074 51.9196 -56.2405 -203.507 PRESSAVG: 390000 18.7769 11.6812 52.529 11.6811 -65.7814 -80.9664 52.529 -80.9664 50.5539 GPRESSAVG: 390000 17.4299 9.96377 54.1138 10.548 -65.9843 -78.8866 52.8116 -79.4883 52.0366 TIMING: 390000 CPU: 1163.23, 0.00295552/step Wall: 1163.23, 0.00295552/step, 3.78471 hours remaining, 207.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 390000 758.7973 2048.5037 1948.4828 132.9848 -205602.3777 17611.1942 0.0000 0.0000 34027.9913 -149074.4235 297.1749 -183102.4149 -148980.0783 300.0660 -118.6631 -83.0742 558501.4782 1.1832 1.1607 PRESSURE: 390200 -41.4193 -37.9922 -100.331 -37.9911 -51.0887 157.719 -100.33 157.718 -142.296 GPRESSURE: 390200 31.8158 -74.3488 -80.7204 -5.02935 -7.60584 183.629 -155.443 166.668 -166.961 PRESSAVG: 390200 19.1399 -79.2153 -22.7598 -79.2153 0.6128 6.65406 -22.7598 6.65409 26.2274 GPRESSAVG: 390200 19.9742 -80.6712 -26.0061 -77.2996 0.862011 6.49113 -23.6094 4.74896 24.7957 TIMING: 390200 CPU: 1163.82, 0.00295972/step Wall: 1163.82, 0.00295972/step, 3.78992 hours remaining, 207.550781 MB of memory in use. ENERGY: 390200 762.8098 2072.8352 1939.9038 107.5405 -206013.5957 17769.1280 0.0000 0.0000 34448.1253 -148913.2530 300.8440 -183361.3783 -148818.1461 299.6005 -78.2680 -47.5838 558303.6999 15.3267 15.2106 PRESSURE: 390400 -185.16 -112.765 115.929 -112.764 172.01 39.1804 115.928 39.1786 59.3059 GPRESSURE: 390400 -148.831 -80.0769 38.1456 -104.708 201.03 47.5773 114.532 22.7101 91.0173 PRESSAVG: 390400 -46.8946 24.6057 -14.4722 24.6057 -14.8501 30.6311 -14.4722 30.631 14.1329 GPRESSAVG: 390400 -47.8095 26.1811 -10.6162 24.4177 -15.3583 31.4451 -13.5833 31.0286 15.3171 TIMING: 390400 CPU: 1164.41, 0.00294973/step Wall: 1164.41, 0.00294973/step, 3.77697 hours remaining, 207.550781 MB of memory in use. ENERGY: 390400 788.5499 2078.4638 1910.4143 105.4679 -206238.7415 17983.3554 0.0000 0.0000 34376.5344 -148995.9558 300.2188 -183372.4902 -148895.6635 300.2878 15.3853 47.7386 558000.1564 -15.8706 -15.9503 PRESSURE: 390600 46.0342 31.8406 61.8167 31.8394 -173.191 11.903 61.8161 11.9018 1.25503 GPRESSURE: 390600 24.9253 -16.7366 -39.2964 12.7118 -114.533 10.766 95.8015 19.4713 69.6437 PRESSAVG: 390600 -100.142 -3.46994 5.95435 -3.46998 48.2777 -13.2525 5.95431 -13.2526 56.9272 GPRESSAVG: 390600 -99.2574 -3.23569 5.46775 -3.24711 49.4276 -15.0247 3.17752 -12.3065 55.1432 TIMING: 390600 CPU: 1165.01, 0.00297139/step Wall: 1165.01, 0.00297139/step, 3.80454 hours remaining, 207.601562 MB of memory in use. ENERGY: 390600 754.8783 2078.7995 1950.2629 102.7599 -205882.0338 17594.4927 0.0000 0.0000 34352.7327 -149048.1078 300.0110 -183400.8405 -148961.2414 299.6154 -41.9672 -6.6548 557075.6433 1.6874 1.7711 PRESSURE: 390800 -44.3079 0.116475 14.1059 0.116667 -38.1331 35.3343 14.1046 35.3338 87.9043 GPRESSURE: 390800 12.1272 -41.3535 -66.6564 -35.5514 18.1787 -95.7255 20.1481 7.73933 81.059 PRESSAVG: 390800 -16.095 50.1438 27.1779 50.1439 -3.82364 -10.5467 27.1779 -10.5467 22.1522 GPRESSAVG: 390800 -15.8708 49.3906 26.0341 49.2143 -6.24519 -8.67903 31.4193 -12.6275 24.3918 TIMING: 390800 CPU: 1165.6, 0.00296402/step Wall: 1165.6, 0.00296402/step, 3.79493 hours remaining, 207.601562 MB of memory in use. ENERGY: 390800 781.2790 2116.7825 1944.1426 120.8883 -206257.2996 17919.3396 0.0000 0.0000 34288.4754 -149086.3922 299.4498 -183374.8677 -148984.1877 299.2435 1.8211 37.1216 557397.3641 0.7445 0.7586 PRESSURE: 391000 -116.963 -66.3596 -229.209 -66.3602 -81.9147 -35.6309 -229.209 -35.631 120.798 GPRESSURE: 391000 -132.249 -28.966 -194.098 -141.262 -15.0966 -5.12264 -286.999 -10.9711 169.643 PRESSAVG: 391000 -84.0461 14.6269 0.411708 14.6269 0.312483 51.3169 0.411757 51.317 40.2273 GPRESSAVG: 391000 -83.3295 15.502 3.73674 14.482 0.799936 46.9647 -2.30812 55.3677 39.0483 TIMING: 391000 CPU: 1166.2, 0.00298491/step Wall: 1166.2, 0.00298491/step, 3.82152 hours remaining, 207.601562 MB of memory in use. ENERGY: 391000 731.3093 2084.9121 1936.7052 111.1790 -206018.9559 17730.3766 0.0000 0.0000 34373.6802 -149050.7935 300.1939 -183424.4737 -148961.5143 299.3761 -26.0264 7.4325 558189.1927 -14.5021 -14.4938 PRESSURE: 391200 -255.277 -126.186 200.078 -126.184 -361.69 59.6396 200.076 59.6383 -147.727 GPRESSURE: 391200 -237.927 -111.21 198.135 -155.185 -326.174 89.1488 266.007 50.8559 -100.434 PRESSAVG: 391200 -26.5388 10.4393 25.627 10.4393 -14.2605 13.1235 25.6271 13.1234 19.1542 GPRESSAVG: 391200 -25.8748 9.48113 24.8419 13.9859 -14.5089 15.0105 25.3794 12.3251 18.7248 TIMING: 391200 CPU: 1166.8, 0.00299894/step Wall: 1166.8, 0.00299894/step, 3.83931 hours remaining, 207.601562 MB of memory in use. ENERGY: 391200 734.8721 2091.8294 1972.7003 124.3900 -205678.2358 17380.2601 0.0000 0.0000 34424.0523 -148950.1317 300.6338 -183374.1839 -148855.0427 299.8902 -254.8980 -221.5117 560162.7745 -7.2150 -7.2196 PRESSURE: 391400 -128.048 38.8146 26.4709 38.8132 -252.303 -36.1354 26.4716 -36.1365 -117.07 GPRESSURE: 391400 -126.866 -115.39 14.5675 5.88872 -184.702 51.2671 82.3425 -77.7458 -92.025 PRESSAVG: 391400 13.3242 -16.8976 -15.0289 -16.8977 -53.9259 -10.7991 -15.0289 -10.7992 73.2226 GPRESSAVG: 391400 12.4289 -16.7555 -15.0859 -20.1022 -53.994 -9.3323 -12.5949 -12.0638 73.8405 TIMING: 391400 CPU: 1167.4, 0.00299769/step Wall: 1167.4, 0.00299769/step, 3.83754 hours remaining, 207.601562 MB of memory in use. ENERGY: 391400 762.1748 2101.3583 1947.3133 113.6062 -206077.3108 17686.0801 0.0000 0.0000 34337.5498 -149129.2283 299.8784 -183466.7781 -149035.8779 299.5603 -165.8068 -134.5311 558727.3742 10.8736 10.7585 PRESSURE: 391600 -101.521 102.643 -73.6155 102.643 -296.113 -188.937 -73.6153 -188.936 -351.082 GPRESSURE: 391600 -99.0086 108.025 -28.4353 120.032 -207.058 -223.049 -26.6017 -269.517 -334.115 PRESSAVG: 391600 -21.9475 28.5072 -5.39131 28.5071 9.31514 3.5619 -5.39131 3.56191 16.0722 GPRESSAVG: 391600 -21.9833 28.1222 -5.86607 30.7676 8.44272 2.17454 -7.32465 4.6135 16.4192 TIMING: 391600 CPU: 1167.99, 0.00297963/step Wall: 1167.99, 0.00297963/step, 3.81426 hours remaining, 207.628906 MB of memory in use. ENERGY: 391600 701.7514 2143.0498 1928.9418 99.0565 -205663.5582 17337.6684 0.0000 0.0000 34282.7277 -149170.3627 299.3996 -183453.0904 -149074.5336 299.4114 -249.5720 -213.3938 558022.2286 1.1466 0.9596 PRESSURE: 391800 234.438 166.737 -44.9039 166.737 -33.2897 -36.0078 -44.9048 -36.0082 -187.826 GPRESSURE: 391800 257.246 94.0585 -4.16077 218.345 20.9472 -50.1581 23.2368 -57.217 -163.072 PRESSAVG: 391800 -14.5175 38.5824 -34.1654 38.5825 49.4965 25.9615 -34.1654 25.9615 -56.4185 GPRESSAVG: 391800 -14.8747 38.584 -35.7539 36.4528 50.621 25.801 -33.5589 25.8385 -56.3552 TIMING: 391800 CPU: 1168.59, 0.00296724/step Wall: 1168.59, 0.00296724/step, 3.79824 hours remaining, 207.628906 MB of memory in use. ENERGY: 391800 720.8434 2085.8463 1933.1988 110.6998 -206273.7598 17791.9658 0.0000 0.0000 34344.4556 -149286.7500 299.9387 -183631.2056 -149194.1525 299.2448 4.4405 38.3737 556088.5411 -7.1465 -6.8697 PRESSURE: 392000 -127.497 -195.297 -30.727 -195.297 45.7957 -104.089 -30.7267 -104.088 -36.0064 GPRESSURE: 392000 -47.0046 -192.86 -34.3845 -229.398 74.6078 -82.312 -67.1451 -22.6664 -49.8323 PRESSAVG: 392000 7.12477 -44.3495 -3.44895 -44.3496 23.0335 14.9924 -3.449 14.9923 -60.0311 GPRESSAVG: 392000 7.0165 -44.447 -2.8568 -43.7907 22.9699 16.8922 -2.30433 13.4747 -60.085 TIMING: 392000 CPU: 1169.18, 0.00299063/step Wall: 1169.18, 0.00299063/step, 3.828 hours remaining, 207.628906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 392000 722.9714 2115.2210 1922.1657 111.3741 -206172.0965 17699.2242 0.0000 0.0000 34261.8299 -149339.3102 299.2171 -183601.1401 -149244.1262 299.8926 -39.2359 -7.4097 555754.7168 -9.9576 -10.0329 PRESSURE: 392200 -217.392 136.433 104.056 136.432 -77.3694 -332.474 104.057 -332.475 96.7009 GPRESSURE: 392200 -157.028 160.798 91.5994 118.89 -76.1068 -292.709 87.4862 -316.607 119.705 PRESSAVG: 392200 26.3116 -27.4352 45.02 -27.4352 -27.0035 -40.4154 45.02 -40.4154 -13.2769 GPRESSAVG: 392200 25.2662 -26.5942 43.9248 -25.7319 -27.0436 -40.2944 44.9016 -39.9948 -12.5803 TIMING: 392200 CPU: 1169.77, 0.00295108/step Wall: 1169.77, 0.00295108/step, 3.77722 hours remaining, 207.628906 MB of memory in use. ENERGY: 392200 783.6896 2090.4396 1943.9692 104.0722 -206077.9819 17725.2986 0.0000 0.0000 34202.2106 -149228.3021 298.6964 -183430.5127 -149129.4317 299.2169 -66.0200 -37.8101 555791.7127 -4.6563 -4.7859 LDB: ============= START OF LOAD BALANCING ============== 1173.32 LDB: ============== END OF LOAD BALANCING =============== 1173.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1173.32 LDB: ============= START OF LOAD BALANCING ============== 1173.62 LDB: Largest compute 4795 load 0.028159 is 23.9% of average load 0.117962 LDB: Average compute 0.001731 is 1.5% of average load 0.117962 LDB: TIME 1173.62 LOAD: AVG 0.117962 MAX 0.206063 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.578 MB LDB: TIME 1173.62 LOAD: AVG 0.117962 MAX 0.206063 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.582 MB LDB: TIME 1173.62 LOAD: AVG 0.117962 MAX 0.206063 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.582 MB LDB: ============== END OF LOAD BALANCING =============== 1173.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1173.63 PRESSURE: 392400 47.4499 -47.7799 78.5668 -47.7807 215.287 121.472 78.5668 121.473 364.527 GPRESSURE: 392400 86.3116 -48.3183 38.7773 -20.456 259.215 93.8423 105.917 143.175 386.714 PRESSAVG: 392400 -25.2477 0.349672 -31.6484 0.34972 19.3645 19.4299 -31.6484 19.43 41.9027 GPRESSAVG: 392400 -25.5533 -1.67838 -31.631 -2.63087 20.0851 18.0085 -32.2434 18.7093 41.2236 TIMING: 392400 CPU: 1170.38, 0.00301338/step Wall: 1170.38, 0.00301338/step, 3.85679 hours remaining, 207.660156 MB of memory in use. ENERGY: 392400 730.2859 2077.7516 1931.3645 108.7357 -206310.7222 18060.5840 0.0000 0.0000 34142.7332 -149259.2673 298.1770 -183402.0006 -149159.2039 299.6854 209.0879 244.0801 555742.8384 12.0065 11.9184 PRESSURE: 392600 -27.0771 -86.2293 22.1295 -86.2298 258.339 -147.161 22.1298 -147.16 -64.5578 GPRESSURE: 392600 15.1165 -78.7338 -31.2896 -62.1068 241.83 -181.396 55.5392 -122.51 14.8239 PRESSAVG: 392600 -25.1942 -37.4975 -1.4263 -37.4976 -25.465 29.4317 -1.42627 29.4317 -2.9394 GPRESSAVG: 392600 -26.2035 -34.5391 -1.94755 -37.3885 -26.5402 28.2619 -3.1553 30.2993 -1.15442 TIMING: 392600 CPU: 1170.97, 0.00295688/step Wall: 1170.97, 0.00295688/step, 3.78431 hours remaining, 207.863281 MB of memory in use. ENERGY: 392600 797.5864 2068.7539 1922.0234 123.6183 -206503.8422 17999.6379 0.0000 0.0000 34455.1582 -149137.0641 300.9055 -183592.2223 -149044.4263 299.9715 55.5679 90.5901 556369.5592 -17.8662 -17.9660 PRESSURE: 392800 171.382 -198.693 68.889 -198.694 37.9452 -38.368 68.8893 -38.3668 -218.223 GPRESSURE: 392800 182.544 -171.71 188.396 -175.572 93.1886 -90.3869 81.4568 -20.0056 -191.745 PRESSAVG: 392800 49.6641 -124.752 24.5877 -124.752 -39.1357 -57.2395 24.5876 -57.2395 67.2817 GPRESSAVG: 392800 50.5882 -124.697 26.8105 -121.954 -39.4445 -54.5408 25.338 -56.9386 66.3322 TIMING: 392800 CPU: 1171.56, 0.00293506/step Wall: 1171.56, 0.00293506/step, 3.75623 hours remaining, 207.863281 MB of memory in use. ENERGY: 392800 708.1723 2102.1517 1948.2060 109.6101 -206217.1534 17839.0012 0.0000 0.0000 34371.1093 -149138.9029 300.1714 -183510.0121 -149042.9173 299.8131 -2.9655 27.9958 558102.5394 25.9367 25.8253 PRESSURE: 393000 25.9217 63.7467 -48.1117 63.7475 192.05 123.838 -48.1113 123.837 -157.038 GPRESSURE: 393000 71.3659 72.4546 -66.0711 42.5739 206.844 100.812 -8.91024 122.749 -132.443 PRESSAVG: 393000 -29.9124 -42.5164 -46.8016 -42.5164 -38.6716 -55.562 -46.8017 -55.5621 24.0036 GPRESSAVG: 393000 -28.4847 -42.6732 -45.8251 -44.3323 -39.1653 -57.3025 -48.0734 -53.9532 23.1407 TIMING: 393000 CPU: 1172.15, 0.00295987/step Wall: 1172.15, 0.00295987/step, 3.78781 hours remaining, 207.863281 MB of memory in use. ENERGY: 393000 756.7658 2051.5372 1926.3080 103.1526 -206088.1380 17870.8973 0.0000 0.0000 34109.7963 -149269.6808 297.8893 -183379.4771 -149175.9164 298.7896 20.3114 48.5890 558023.6863 -14.8601 -14.8365 PRESSURE: 393200 -198.999 -13.8758 -238.823 -13.8757 -51.9839 33.367 -238.822 33.3655 -198.993 GPRESSURE: 393200 -131.247 2.75574 -242.799 -52.5831 1.09743 69.5096 -187.598 0.226902 -204.897 PRESSAVG: 393200 49.4158 -47.406 -32.2562 -47.4059 79.4603 -39.2397 -32.2561 -39.2399 -67.1253 GPRESSAVG: 393200 49.1184 -49.1856 -30.5905 -46.0306 78.8886 -39.6326 -31.2175 -42.0968 -65.993 TIMING: 393200 CPU: 1172.74, 0.00295624/step Wall: 1172.74, 0.00295624/step, 3.783 hours remaining, 207.863281 MB of memory in use. ENERGY: 393200 727.7595 2058.1276 1951.5157 118.7529 -206327.7945 17716.9202 0.0000 0.0000 34490.3014 -149264.4172 301.2124 -183754.7185 -149169.8754 299.2173 -149.9921 -111.6821 558262.2641 20.5836 20.6713 PRESSURE: 393400 -203.469 -13.4229 -96.8873 -13.4241 176.297 -215.524 -96.8872 -215.524 116.37 GPRESSURE: 393400 -129.942 37.7141 -58.8257 -33.558 213.946 -100.813 -12.6362 -259.948 108.23 PRESSAVG: 393400 -54.9833 -48.5892 -19.7752 -48.5892 1.15487 -8.97529 -19.7752 -8.9754 79.7297 GPRESSAVG: 393400 -57.0523 -48.3184 -23.0439 -47.9704 1.16502 -9.04766 -19.9097 -6.94143 81.7843 TIMING: 393400 CPU: 1173.33, 0.00296575/step Wall: 1173.33, 0.00296575/step, 3.79501 hours remaining, 207.863281 MB of memory in use. ENERGY: 393400 741.3970 2072.6245 1965.7734 116.2011 -206470.4407 18036.1586 0.0000 0.0000 34316.7804 -149221.5057 299.6970 -183538.2861 -149136.7734 298.9213 29.7327 64.0781 557393.5315 8.6338 8.6324 PRESSURE: 393600 193.608 140.811 -65.1132 140.811 225.779 31.4111 -65.1126 31.4114 400 GPRESSURE: 393600 240.396 20.2052 -132.41 140.551 247.907 48.7345 -58.4922 26.2162 419.866 PRESSAVG: 393600 -2.87467 -19.718 3.95926 -19.718 -27.2176 -36.1401 3.95924 -36.1401 61.1278 GPRESSAVG: 393600 -1.46927 -20.282 5.58406 -20.2484 -26.7839 -36.3421 3.38167 -38.0915 59.2878 TIMING: 393600 CPU: 1173.93, 0.00299057/step Wall: 1173.93, 0.00299057/step, 3.8266 hours remaining, 207.863281 MB of memory in use. ENERGY: 393600 706.9838 2119.5663 1975.6726 128.6244 -206634.6007 18284.3808 0.0000 0.0000 34256.3532 -149163.0195 299.1693 -183419.3727 -149069.2428 298.9971 273.1293 302.7227 557489.4557 10.3452 10.3449 PRESSURE: 393800 -79.2994 284.228 -96.7103 284.226 -57.4454 190.034 -96.7088 190.034 -148.441 GPRESSURE: 393800 -42.9554 312.205 -96.8753 246.695 -47.8139 195.279 -71.6218 232.58 -93.3497 PRESSAVG: 393800 32.271 19.4006 -42.8938 19.4005 -13.3288 12.8055 -42.8938 12.8054 -35.7499 GPRESSAVG: 393800 32.1759 19.6089 -43.4819 19.2632 -12.1502 12.812 -43.1507 14.4492 -36.7378 TIMING: 393800 CPU: 1174.52, 0.00297219/step Wall: 1174.52, 0.00297219/step, 3.80292 hours remaining, 207.863281 MB of memory in use. ENERGY: 393800 771.1154 2101.0273 1944.5888 116.3742 -206219.5208 17830.8303 0.0000 0.0000 34337.3113 -149118.2735 299.8763 -183455.5848 -149022.9221 299.4477 -95.0620 -61.3730 557861.2179 -5.6026 -5.5707 PRESSURE: 394000 -237.376 47.2829 150.906 47.2832 -297.703 -98.0164 150.904 -98.0154 -153.391 GPRESSURE: 394000 -214.404 127.649 19.0518 46.2382 -194.947 -38.9707 189.328 -104.561 -169.758 PRESSAVG: 394000 55.1018 -25.3534 -26.662 -25.3534 -91.3881 -0.464261 -26.6621 -0.464308 0.462737 GPRESSAVG: 394000 54.4375 -26.1846 -27.6141 -23.5936 -91.108 2.17414 -27.0245 -3.12895 0.322894 TIMING: 394000 CPU: 1175.12, 0.00299841/step Wall: 1175.12, 0.00299841/step, 3.8363 hours remaining, 207.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 394000 755.2413 2095.7863 1946.5504 126.7874 -206094.2030 17475.8689 0.0000 0.0000 34535.6929 -149158.2758 301.6088 -183693.9688 -149052.1492 299.5767 -229.4898 -193.0364 558976.8418 -11.9412 -12.1159 PRESSURE: 394200 69.9842 -74.0593 85.3375 -74.0575 -225.143 62.666 85.3385 62.6646 19.3855 GPRESSURE: 394200 132.124 -80.9457 65.3057 -77.5828 -197.644 141.391 -35.6155 9.29417 29.5278 PRESSAVG: 394200 -12.7117 28.8274 11.3509 28.8274 -55.9525 -18.1493 11.351 -18.1493 44.9547 GPRESSAVG: 394200 -11.9859 31.1906 12.9957 26.0734 -56.9076 -20.2363 10.9688 -15.3807 45.713 TIMING: 394200 CPU: 1175.73, 0.00300613/step Wall: 1175.73, 0.00300613/step, 3.84601 hours remaining, 207.863281 MB of memory in use. ENERGY: 394200 758.4148 2111.9369 1974.1758 111.4198 -206250.5191 17763.0719 0.0000 0.0000 34257.3877 -149274.1122 299.1783 -183531.4999 -149176.1170 299.3260 -45.2577 -11.9975 557221.6284 -7.9032 -7.7268 PRESSURE: 394400 180.02 75.6648 -115.604 75.6649 42.5439 -14.159 -115.604 -14.1608 292.571 GPRESSURE: 394400 249.903 67.135 -84.1788 60.6167 65.4498 44.4291 -145.154 -9.71441 303.081 PRESSAVG: 394400 63.1006 -3.0573 1.33957 -3.05734 -79.9469 -6.94668 1.33969 -6.94666 27.148 GPRESSAVG: 394400 62.9853 -5.28027 0.735822 -2.36036 -79.3967 -6.20269 3.3247 -7.51045 26.6405 TIMING: 394400 CPU: 1176.32, 0.00297994/step Wall: 1176.32, 0.00297994/step, 3.81233 hours remaining, 207.863281 MB of memory in use. ENERGY: 394400 746.6324 2137.6656 1919.6390 101.4294 -206734.9627 18219.9349 0.0000 0.0000 34271.4717 -149338.1898 299.3013 -183609.6615 -149245.6282 299.7802 171.7116 206.1445 558060.9229 3.4339 3.4097 PRESSURE: 394600 239.489 62.2447 56.2258 62.2449 -273.528 -152.328 56.2271 -152.329 -32.4994 GPRESSURE: 394600 281.622 50.3021 60.7258 70.3752 -209.251 -154.015 30.7484 -49.1674 -23.8177 PRESSAVG: 394600 35.6337 -15.0888 28.6803 -15.0888 -15.0028 0.235993 28.6802 0.236026 -4.78524 GPRESSAVG: 394600 35.9443 -12.5925 30.0027 -16.1151 -16.0276 -0.0938873 26.7804 0.961865 -4.07726 TIMING: 394600 CPU: 1176.91, 0.00296232/step Wall: 1176.91, 0.00296232/step, 3.78963 hours remaining, 207.863281 MB of memory in use. ENERGY: 394600 748.4618 2044.8504 1914.2687 107.9081 -206336.5959 17889.7908 0.0000 0.0000 34300.3362 -149330.9798 299.5534 -183631.3160 -149239.1215 299.2561 -22.1794 16.1845 557462.1064 5.2819 5.2798 PRESSURE: 394800 265.519 72.3135 4.4515 72.3137 -34.2207 129.734 4.45103 129.736 55.6621 GPRESSURE: 394800 276.168 101.992 14.2109 66.3678 -24.0461 143.334 62.8776 67.3399 115.242 PRESSAVG: 394800 34.8601 -9.17369 -27.921 -9.1738 19.8222 -39.7321 -27.921 -39.7321 -34.6698 GPRESSAVG: 394800 34.6067 -8.83877 -28.1008 -11.0054 20.1114 -38.4706 -26.0751 -41.5053 -34.6008 TIMING: 394800 CPU: 1177.51, 0.00296138/step Wall: 1177.51, 0.00296138/step, 3.78826 hours remaining, 207.863281 MB of memory in use. ENERGY: 394800 735.5967 2060.5160 1920.7486 107.1522 -206628.5504 18191.9147 0.0000 0.0000 34148.3647 -149464.2575 298.2262 -183612.6222 -149364.2033 298.5054 95.6533 122.4544 558596.4116 6.6708 6.7058 PRESSURE: 395000 -167.493 11.409 19.0831 11.4091 -88.7307 -26.4428 19.084 -26.4441 -105.395 GPRESSURE: 395000 -124.099 -9.50036 -17.105 -1.09211 -58.572 -63.4264 122.699 -61.7645 -80.4215 PRESSAVG: 395000 3.11033 27.3499 -37.1427 27.3499 51.143 -21.9416 -37.1427 -21.9415 -30.9937 GPRESSAVG: 395000 4.01052 26.2987 -36.3911 29.6204 51.0271 -22.9267 -37.4075 -19.8313 -31.673 TIMING: 395000 CPU: 1178.1, 0.00298342/step Wall: 1178.1, 0.00298342/step, 3.81629 hours remaining, 207.863281 MB of memory in use. ENERGY: 395000 753.6903 2062.6422 1941.7645 105.8756 -206114.9661 17752.1304 0.0000 0.0000 34178.9782 -149319.8849 298.4935 -183498.8631 -149221.6353 298.7702 -120.5395 -87.6974 558299.5500 7.7532 7.7882 PRESSURE: 395200 -173.339 166.909 25.55 166.911 -189.331 87.2369 25.5485 87.2369 -180.137 GPRESSURE: 395200 -87.5485 86.5095 40.7032 248.674 -171.525 134.679 123.865 128.812 -197.012 PRESSAVG: 395200 -32.8458 54.1388 -6.28164 54.1386 26.8882 39.4923 -6.28157 39.4923 30.6323 GPRESSAVG: 395200 -34.0154 50.8819 -7.3328 55.611 27.3384 40.661 -6.98288 37.936 31.4096 TIMING: 395200 CPU: 1178.7, 0.0029952/step Wall: 1178.7, 0.0029952/step, 3.8312 hours remaining, 207.863281 MB of memory in use. ENERGY: 395200 730.1631 2060.4179 1945.9513 115.3589 -206040.9089 17537.9963 0.0000 0.0000 34388.4063 -149262.6150 300.3225 -183651.0213 -149165.3959 299.4858 -180.9355 -152.0284 556981.6975 8.2249 8.2442 PRESSURE: 395400 -91.1407 -24.7587 101.24 -24.7591 75.9813 24.288 101.239 24.2878 162.428 GPRESSURE: 395400 -38.0662 45.5586 155.378 -93.3485 96.1685 -7.65926 70.7013 66.1183 173.127 PRESSAVG: 395400 -28.0815 44.4984 18.6921 44.4984 -10.3889 70.6545 18.6921 70.6544 14.8045 GPRESSAVG: 395400 -28.4778 47.3771 18.3467 42.3102 -10.7852 69.6523 19.8539 69.7142 15.3569 TIMING: 395400 CPU: 1179.3, 0.00298673/step Wall: 1179.3, 0.00298673/step, 3.8202 hours remaining, 207.863281 MB of memory in use. ENERGY: 395400 712.9145 2082.7087 1968.5054 108.0465 -206303.3339 17947.8868 0.0000 0.0000 34294.9590 -149188.3129 299.5064 -183483.2720 -149088.4159 299.3712 49.0895 77.0765 557684.0730 -7.8887 -7.9687 PRESSURE: 395600 41.3413 18.4086 98.1556 18.4084 182.1 28.25 98.1546 28.2504 -260.062 GPRESSURE: 395600 98.1643 25.7027 96.0659 -8.4919 156.429 -20.7601 150.528 93.2216 -189.166 PRESSAVG: 395600 -1.9472 -15.1516 -6.90735 -15.1516 -9.28104 21.765 -6.90732 21.7649 12.6338 GPRESSAVG: 395600 -0.228971 -14.7547 -6.58195 -12.9697 -8.87771 23.195 -7.66655 21.7786 10.7227 TIMING: 395600 CPU: 1179.89, 0.00297968/step Wall: 1179.89, 0.00297968/step, 3.81101 hours remaining, 207.863281 MB of memory in use. ENERGY: 395600 746.7474 2066.7975 1956.8930 109.1874 -206130.0680 17905.4625 0.0000 0.0000 34159.2258 -149185.7544 298.3210 -183344.9801 -149090.2364 299.5446 -12.2069 21.8093 558120.2731 0.4685 0.5387 PRESSURE: 395800 218.471 80.2972 -102.376 80.2969 -115.803 128.564 -102.376 128.565 -29.1315 GPRESSURE: 395800 254.054 104.533 -102.531 66.584 -97.9164 100.708 -68.0953 67.5006 14.2603 PRESSAVG: 395800 13.4152 2.10883 31.348 2.10889 4.55566 -0.111738 31.348 -0.111806 -9.60161 GPRESSAVG: 395800 11.3042 0.548286 30.6599 0.588317 5.19847 -1.02682 31.5653 1.81686 -8.13523 TIMING: 395800 CPU: 1180.49, 0.00298146/step Wall: 1180.49, 0.00298146/step, 3.81312 hours remaining, 207.863281 MB of memory in use. ENERGY: 395800 696.0520 2051.4810 1965.7477 119.5674 -206182.8072 17891.7353 0.0000 0.0000 34181.1293 -149277.0945 298.5123 -183458.2237 -149176.3275 299.1961 24.5123 56.7992 558428.6792 2.7897 2.7891 PRESSURE: 396000 77.1212 96.919 93.804 96.9191 -102.12 123.176 93.8035 123.176 -217.193 GPRESSURE: 396000 87.697 111.104 114.973 141.258 -17.2724 139.432 63.3592 145.859 -202.988 PRESSAVG: 396000 4.90614 -23.5911 -23.9932 -23.5911 76.6138 -1.25727 -23.9931 -1.25726 -6.96529 GPRESSAVG: 396000 6.89434 -21.6366 -23.5336 -22.8212 75.2295 -3.30874 -23.6682 0.278529 -7.47542 TIMING: 396000 CPU: 1181.08, 0.00296651/step Wall: 1181.08, 0.00296651/step, 3.79384 hours remaining, 207.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 396000 755.3891 2051.3501 1945.8932 109.7619 -206229.3529 17656.0704 0.0000 0.0000 34403.7741 -149307.1142 300.4567 -183710.8883 -149216.1273 298.7853 -80.7308 -44.1877 557363.9064 24.8515 24.8828 PRESSURE: 396200 -35.4377 63.2441 85.9878 63.2427 -340.339 -40.8707 85.9882 -40.87 -241.488 GPRESSURE: 396200 -44.3787 31.8022 48.5255 33.2934 -220.559 5.61573 85.5287 -63.6683 -260.027 PRESSAVG: 396200 96.9462 44.4782 0.0104405 44.4782 15.5247 -3.16874 0.0104005 -3.16884 -87.2635 GPRESSAVG: 396200 95.7183 42.1324 0.638392 45.4943 15.8157 -1.41983 -0.368284 -4.55857 -86.6056 TIMING: 396200 CPU: 1181.68, 0.00296168/step Wall: 1181.68, 0.00296168/step, 3.7875 hours remaining, 207.863281 MB of memory in use. ENERGY: 396200 750.0604 2066.7247 1923.0627 117.0647 -206179.3698 17594.1274 0.0000 0.0000 34225.9028 -149502.4271 298.9033 -183728.3299 -149405.0783 298.5779 -205.7549 -174.9882 558084.7162 8.4024 8.3095 LDB: ============= START OF LOAD BALANCING ============== 1185.22 LDB: ============== END OF LOAD BALANCING =============== 1185.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1185.23 LDB: ============= START OF LOAD BALANCING ============== 1185.52 LDB: Largest compute 4795 load 0.028166 is 23.9% of average load 0.117988 LDB: Average compute 0.001732 is 1.5% of average load 0.117988 LDB: TIME 1185.52 LOAD: AVG 0.117988 MAX 0.205386 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.379 MB LDB: TIME 1185.52 LOAD: AVG 0.117988 MAX 0.205386 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.578 MB LDB: TIME 1185.52 LOAD: AVG 0.117988 MAX 0.205386 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1185.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1185.53 PRESSURE: 396400 40.4865 -152.153 -3.22374 -152.152 -106.079 -157.142 -3.22386 -157.142 -186.713 GPRESSURE: 396400 71.7005 -86.0232 4.70547 -172.219 -31.5063 -180.687 8.9634 -103.128 -181.873 PRESSAVG: 396400 44.123 14.7009 0.483049 14.701 2.02978 6.13501 0.483042 6.13492 -50.3169 GPRESSAVG: 396400 44.2797 15.2574 0.433462 14.7688 3.12715 6.03417 -1.1375 6.98268 -51.6434 TIMING: 396400 CPU: 1182.28, 0.00301457/step Wall: 1182.28, 0.00301457/step, 3.85496 hours remaining, 206.640625 MB of memory in use. ENERGY: 396400 734.2730 2126.5490 1922.6797 108.8893 -206110.3492 17604.1637 0.0000 0.0000 34146.9759 -149466.8186 298.2140 -183613.7945 -149373.6565 298.8999 -84.1020 -47.2263 556489.0136 -1.3880 -1.4122 PRESSURE: 396600 117.015 73.2618 207.416 73.2619 -123.86 20.423 207.416 20.4222 127.413 GPRESSURE: 396600 223.744 -6.04261 324.55 106.785 -114.73 41.8134 126.447 55.2803 105.546 PRESSAVG: 396600 55.7172 -46.5724 -23.1047 -46.5724 -18.6912 7.48994 -23.1047 7.48997 -51.9934 GPRESSAVG: 396600 57.0646 -45.3298 -23.3858 -47.9429 -19.6964 7.58967 -21.0928 7.79537 -52.5776 TIMING: 396600 CPU: 1182.87, 0.00295958/step Wall: 1182.87, 0.00295958/step, 3.78448 hours remaining, 206.640625 MB of memory in use. ENERGY: 396600 720.0704 2083.1247 1926.5916 106.1304 -206039.4876 17821.9324 0.0000 0.0000 34146.0219 -149235.6161 298.2057 -183381.6380 -149136.5998 299.1404 40.1896 71.5200 557118.9540 -4.9891 -5.0698 PRESSURE: 396800 -265.141 -95.9007 -22.6765 -95.8998 -202.365 -8.20872 -22.6755 -8.20791 -131.253 GPRESSURE: 396800 -235.473 -128.436 2.93772 -101.116 -206.156 42.6476 -83.8781 -9.0208 -72.9615 PRESSAVG: 396800 24.7585 -23.4816 24.1752 -23.4816 -112.44 -3.54174 24.1753 -3.54172 100.794 GPRESSAVG: 396800 22.3709 -25.5913 24.4041 -23.2875 -111.046 -3.61629 22.7466 -3.74239 101.322 TIMING: 396800 CPU: 1183.47, 0.00297015/step Wall: 1183.47, 0.00297015/step, 3.79783 hours remaining, 206.640625 MB of memory in use. ENERGY: 396800 736.4297 2090.8045 1952.8470 102.9693 -206051.4443 17595.8542 0.0000 0.0000 34519.1735 -149053.3660 301.4645 -183572.5396 -148952.5363 299.4683 -199.5865 -171.5301 557962.0727 4.3708 4.2155 PRESSURE: 397000 40.2344 -11.1379 -9.02521 -11.1371 49.6892 -69.9438 -9.02534 -69.9457 129.194 GPRESSURE: 397000 63.3112 -43.8512 -69.8698 -22.3673 117.388 -131.76 33.8376 -71.1436 120.922 PRESSAVG: 397000 29.7238 1.06108 80.1748 1.06109 -63.1545 13.2889 80.1749 13.2888 26.2808 GPRESSAVG: 397000 31.3421 2.1918 80.844 0.334743 -64.8969 13.1398 79.1717 12.3023 26.2353 TIMING: 397000 CPU: 1184.06, 0.00297444/step Wall: 1184.06, 0.00297444/step, 3.80315 hours remaining, 206.640625 MB of memory in use. ENERGY: 397000 749.1962 2129.4955 1941.8749 107.6579 -206563.9648 17998.6652 0.0000 0.0000 34442.8680 -149194.2072 300.7981 -183637.0751 -149102.5430 300.1118 73.0392 100.5402 558265.6825 -2.3833 -2.4399 PRESSURE: 397200 -142.395 -1.78075 132.3 -1.77996 73.9354 -37.2136 132.3 -37.2137 -5.49908 GPRESSURE: 397200 -117.725 55.4003 101.62 6.42371 85.2427 -0.646298 197.173 -32.9342 49.7616 PRESSAVG: 397200 -16.9758 0.200424 -53.6647 0.200312 -18.3408 -9.93643 -53.6648 -9.93641 38.5363 GPRESSAVG: 397200 -17.176 -0.927712 -53.4966 2.25615 -19.2742 -10.057 -50.7812 -8.77166 39.416 TIMING: 397200 CPU: 1184.65, 0.00296913/step Wall: 1184.65, 0.00296913/step, 3.7962 hours remaining, 206.640625 MB of memory in use. ENERGY: 397200 741.2248 2063.8239 1936.7701 112.3560 -206081.7924 17628.2532 0.0000 0.0000 34386.3247 -149213.0398 300.3043 -183599.3645 -149114.0140 300.1043 -24.6528 5.7597 557715.4274 1.0732 0.9886 PRESSURE: 397400 -127.263 124.186 -41.9405 124.186 64.1624 93.9688 -41.9418 93.9698 -148.672 GPRESSURE: 397400 -94.4697 104.81 -143.661 102.202 92.6536 68.5204 61.722 176.46 -103.698 PRESSAVG: 397400 -54.3716 22.5972 -10.538 22.5971 -22.4732 -42.6638 -10.538 -42.664 41.5412 GPRESSAVG: 397400 -54.5451 25.9548 -9.73839 21.1308 -21.8635 -42.5543 -11.2816 -42.3765 42.2145 TIMING: 397400 CPU: 1185.24, 0.00294277/step Wall: 1185.24, 0.00294277/step, 3.76233 hours remaining, 206.640625 MB of memory in use. ENERGY: 397400 727.9892 2150.3267 1930.7038 109.0849 -206194.4525 17866.7045 0.0000 0.0000 34220.0399 -149189.6034 298.8521 -183409.6433 -149098.3713 299.6836 -70.5909 -35.1713 558435.6805 -11.7679 -11.3980 PRESSURE: 397600 -228.22 98.1158 145.876 98.116 -201.455 73.5133 145.876 73.5123 -88.086 GPRESSURE: 397600 -176.474 80.5058 201.24 142.185 -228.004 92.0651 104.912 24.2204 -10.9596 PRESSAVG: 397600 -21.8783 61.4016 12.6693 61.4016 -6.69897 56.9115 12.6693 56.9114 13.2993 GPRESSAVG: 397600 -21.6706 59.7684 11.5365 60.9458 -6.76135 56.1368 10.6545 57.0432 13.1731 TIMING: 397600 CPU: 1185.83, 0.00293782/step Wall: 1185.83, 0.00293782/step, 3.75585 hours remaining, 206.640625 MB of memory in use. ENERGY: 397600 739.6155 2135.4656 1934.4529 102.4042 -205947.2298 17538.0928 0.0000 0.0000 34404.1142 -149093.0846 300.4597 -183497.1988 -148997.8140 299.7627 -172.5872 -138.4793 558857.7628 -5.0926 -5.0863 PRESSURE: 397800 94.3581 154.888 51.8245 154.889 -50.5607 -30.7 51.8247 -30.7006 20.404 GPRESSURE: 397800 107.25 131.548 89.8304 170.441 7.86452 29.8558 86.9803 -120.264 59.6886 PRESSAVG: 397800 5.7024 59.5149 -62.0347 59.5149 -0.113768 20.6451 -62.0348 20.645 -21.3443 GPRESSAVG: 397800 5.72172 61.4714 -59.6486 58.0184 -0.382535 22.412 -60.673 20.8733 -21.3082 TIMING: 397800 CPU: 1186.43, 0.00298425/step Wall: 1186.43, 0.00298425/step, 3.81503 hours remaining, 206.640625 MB of memory in use. ENERGY: 397800 695.9511 2165.9175 1915.3863 107.8901 -205912.0934 17650.8854 0.0000 0.0000 34225.8709 -149150.1921 298.9030 -183376.0630 -149055.4402 299.8696 21.4005 58.2678 557537.7200 -5.2519 -5.3230 PRESSURE: 398000 -20.9797 140.047 -30.6786 140.047 -59.2867 -38.117 -30.6797 -38.1171 57.866 GPRESSURE: 398000 -19.1645 76.3733 28.1469 161.883 4.14263 -20.6181 -132.507 -14.433 83.6371 PRESSAVG: 398000 20.0378 25.0463 -28.0776 25.0462 -16.4565 13.6503 -28.0775 13.6502 -17.6326 GPRESSAVG: 398000 19.4052 23.6941 -29.0845 26.8504 -15.5332 12.8352 -28.6964 12.702 -18.9365 TIMING: 398000 CPU: 1187.02, 0.00298802/step Wall: 1187.02, 0.00298803/step, 3.81969 hours remaining, 206.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 398000 738.8441 2077.9528 1928.0127 119.6197 -206182.6648 17902.7382 0.0000 0.0000 34333.2083 -149082.2891 299.8404 -183415.4973 -148987.8062 298.9327 -7.4668 22.8718 556621.8424 -4.6838 -5.0215 PRESSURE: 398200 -76.5339 -84.8571 -56.8773 -84.8568 -104.165 37.9342 -56.8779 37.9359 -176.939 GPRESSURE: 398200 10.2459 -110.392 -23.3299 -83.978 -83.4805 33.5995 -114.268 13.0047 -183.525 PRESSAVG: 398200 59.2188 7.13348 23.8381 7.13342 -38.9357 13.9757 23.8381 13.9758 -31.9882 GPRESSAVG: 398200 60.7984 6.29806 23.4473 8.1867 -39.9166 12.9367 25.4881 13.5845 -32.4626 TIMING: 398200 CPU: 1187.62, 0.00295193/step Wall: 1187.62, 0.00295193/step, 3.77339 hours remaining, 206.640625 MB of memory in use. ENERGY: 398200 738.7273 2091.1162 1926.0563 111.1671 -205379.0663 17331.2641 0.0000 0.0000 34058.2194 -149122.5159 297.4389 -183180.7353 -149026.5329 299.8524 -119.2127 -85.5866 557942.4360 -3.9017 -3.8603 PRESSURE: 398400 -12.5006 -117.209 59.9446 -117.209 -331.931 17.0323 59.9436 17.0319 -153.665 GPRESSURE: 398400 -8.76722 -151.65 121.381 44.3479 -295.4 9.88499 -0.40801 70.8581 -86.3576 PRESSAVG: 398400 -20.1431 -24.9631 -4.98646 -24.9631 -0.661969 42.6038 -4.98651 42.6038 38.961 GPRESSAVG: 398400 -21.3421 -24.2909 -5.17028 -26.7145 -1.38144 42.9751 -5.46163 41.132 41.0429 TIMING: 398400 CPU: 1188.21, 0.00296538/step Wall: 1188.21, 0.00296538/step, 3.79042 hours remaining, 206.640625 MB of memory in use. ENERGY: 398400 764.2566 2046.6487 1941.3414 111.9430 -205356.2040 17389.7112 0.0000 0.0000 34064.3897 -149037.9133 297.4928 -183102.3031 -148942.3037 299.8406 -166.0321 -130.1751 557867.6003 6.0520 6.1065 PRESSURE: 398600 -114.525 83.9501 157.275 83.9495 -153.112 -264.969 157.273 -264.969 -277.504 GPRESSURE: 398600 -67.4886 88.3211 111.435 56.1005 -99.3655 -204.483 147.722 -265.98 -271.954 PRESSAVG: 398600 25.009 20.2064 4.25658 20.2064 -42.0577 -37.0842 4.25648 -37.0842 -7.57289 GPRESSAVG: 398600 25.1496 19.1361 4.68789 22.1546 -40.8084 -35.4564 3.42563 -36.151 -8.12053 TIMING: 398600 CPU: 1188.8, 0.00296607/step Wall: 1188.8, 0.00296607/step, 3.79113 hours remaining, 206.640625 MB of memory in use. ENERGY: 398600 804.0031 2050.9956 1947.2833 101.9108 -205949.1099 17615.1926 0.0000 0.0000 34312.9517 -149116.7728 299.6635 -183429.7245 -149024.8299 299.1209 -181.7137 -146.2695 557178.0067 -8.2072 -7.9265 PRESSURE: 398800 -72.7211 148.274 95.1889 148.273 5.65853 124.368 95.1878 124.368 87.6994 GPRESSURE: 398800 -20.2858 154.388 30.2979 105.123 31.3358 52.8463 81.5767 127.761 96.1563 PRESSAVG: 398800 -27.6172 11.7436 16.2834 11.7436 -42.9103 -56.9603 16.2834 -56.9602 67.7428 GPRESSAVG: 398800 -28.0221 11.3388 15.107 11.4354 -43.0666 -58.6531 17.4807 -55.9665 67.8334 TIMING: 398800 CPU: 1189.39, 0.00294273/step Wall: 1189.39, 0.00294273/step, 3.76114 hours remaining, 206.640625 MB of memory in use. ENERGY: 398800 757.5330 2073.4858 1941.1485 113.2539 -206264.3734 18030.2883 0.0000 0.0000 34415.8194 -148932.8446 300.5619 -183348.6639 -148831.1082 299.4285 6.8789 35.7354 557946.7624 -0.9282 -1.0851 PRESSURE: 399000 -24.5914 188.803 125.95 188.804 -83.9178 87.7558 125.95 87.7561 91.8063 GPRESSURE: 399000 62.2385 192.839 40.3984 205.112 -19.3458 86.4488 227.428 37.6588 33.5637 PRESSAVG: 399000 -23.3368 16.3448 9.38412 16.345 14.1575 30.8414 9.38415 30.8414 -33.5378 GPRESSAVG: 399000 -22.3246 18.0707 10.2724 16.1972 14.372 30.1846 8.93299 31.2823 -34.2259 TIMING: 399000 CPU: 1189.98, 0.00295576/step Wall: 1189.98, 0.00295576/step, 3.77763 hours remaining, 206.640625 MB of memory in use. ENERGY: 399000 744.8668 2087.6372 1963.4442 107.3923 -206190.1655 17809.9770 0.0000 0.0000 34572.8608 -148903.9872 301.9334 -183476.8480 -148812.2935 300.1414 -5.5676 25.4854 557327.5585 -14.2390 -14.0595 PRESSURE: 399200 -172.342 -177.803 103.106 -177.803 -331.824 -157.252 103.103 -157.253 -107.272 GPRESSURE: 399200 -171.679 -157.533 112.114 -91.9888 -261.645 -167.524 120.899 -119.004 -80.6084 PRESSAVG: 399200 -39.7831 46.6009 28.4635 46.6009 -4.86585 26.353 28.4634 26.3531 11.2355 GPRESSAVG: 399200 -39.4662 45.1858 29.2765 45.6735 -5.78711 26.17 28.9528 26.2921 12.2569 TIMING: 399200 CPU: 1190.57, 0.00296658/step Wall: 1190.57, 0.00296658/step, 3.79129 hours remaining, 206.640625 MB of memory in use. ENERGY: 399200 792.7944 2095.3043 1939.6222 125.2196 -205910.3463 17521.3538 0.0000 0.0000 34450.5951 -148985.4569 300.8656 -183436.0520 -148890.8316 300.8540 -203.8123 -171.3109 557304.2861 -11.1378 -10.9988 PRESSURE: 399400 -285.077 -93.3436 98.3563 -93.3439 114.394 -30.9784 98.356 -30.9772 -191.046 GPRESSURE: 399400 -272.815 -102.497 173.625 -72.4184 144.512 77.2126 -11.2583 -55.9671 -133.948 PRESSAVG: 399400 23.4739 -2.09259 45.1663 -2.0926 14.562 -59.4533 45.1664 -59.4533 -17.6644 GPRESSAVG: 399400 23.2907 -1.00704 45.564 0.564514 15.01 -57.6811 43.7605 -62.5882 -18.025 TIMING: 399400 CPU: 1191.17, 0.0029646/step Wall: 1191.17, 0.0029646/step, 3.7886 hours remaining, 206.640625 MB of memory in use. ENERGY: 399400 729.6873 2148.0884 1947.0358 109.4336 -205737.2572 17553.6465 0.0000 0.0000 34292.5770 -148956.7884 299.4856 -183249.3655 -148857.5376 299.6668 -120.5763 -87.4170 558572.6465 6.7905 6.7586 PRESSURE: 399600 -32.0308 140.974 77.9221 140.975 -37.6145 -29.7665 77.9254 -29.7678 -65.7454 GPRESSURE: 399600 -14.068 115.789 84.3427 131.365 -0.298875 -17.7924 100.015 -12.4127 -22.9085 PRESSAVG: 399600 47.6997 17.9127 51.2884 17.9127 -60.6896 -0.155181 51.2884 -0.155189 -9.70922 GPRESSAVG: 399600 47.6636 18.8561 50.379 15.3032 -60.7509 -2.59477 51.9385 3.50098 -9.90251 TIMING: 399600 CPU: 1191.76, 0.00295989/step Wall: 1191.76, 0.00295989/step, 3.78241 hours remaining, 206.640625 MB of memory in use. ENERGY: 399600 761.2273 2095.3829 1925.9756 109.4453 -205991.7315 17733.3305 0.0000 0.0000 34425.4875 -148940.8825 300.6463 -183366.3700 -148835.5883 300.0676 -45.1302 -12.4251 558149.5416 -7.5664 -7.6633 PRESSURE: 399800 -138.885 38.5898 10.907 38.59 246.438 19.1353 10.907 19.1345 220.393 GPRESSURE: 399800 -71.3872 43.9621 27.4258 70.627 269.55 -66.2674 95.3497 33.5223 220.267 PRESSAVG: 399800 16.5113 57.5258 76.564 57.5258 -22.342 89.6691 76.564 89.669 -24.0613 GPRESSAVG: 399800 15.9339 58.0558 75.889 57.0739 -21.7258 90.0996 76.5064 89.937 -24.0272 TIMING: 399800 CPU: 1192.35, 0.00297391/step Wall: 1192.35, 0.00297391/step, 3.80016 hours remaining, 206.640625 MB of memory in use. ENERGY: 399800 763.9038 2062.4543 1932.6405 124.6500 -206131.2498 18103.7013 0.0000 0.0000 34115.4012 -149028.4986 297.9383 -183143.8998 -148938.0582 300.0514 109.3153 139.4769 557538.5911 -9.9640 -9.9397 PRESSURE: 400000 23.9055 72.4812 -11.7804 72.4811 -114.865 -27.8955 -11.7794 -27.8952 -63.7291 GPRESSURE: 400000 142.642 -18.4844 43.3345 36.5965 -95.2925 -27.25 -160.248 33.5902 -114.391 PRESSAVG: 400000 27.0378 35.9674 12.5706 35.9674 2.32367 32.9064 12.5706 32.9064 -0.932783 GPRESSAVG: 400000 26.4175 34.0515 14.9199 36.8518 2.1095 33.2703 12.2254 31.0441 -0.224395 TIMING: 400000 CPU: 1192.95, 0.00297704/step Wall: 1192.95, 0.00297704/step, 3.80399 hours remaining, 206.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 400000 780.9139 2070.9349 1938.3087 113.7591 -206063.1542 17795.4552 0.0000 0.0000 34473.1343 -148890.6481 301.0625 -183363.7824 -148798.8835 300.1978 -51.5629 -22.3470 557533.3904 9.4762 9.4342 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 400000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 400000 WRITING COORDINATES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART COORDINATES The last position output (seq=400000) takes 0.008 seconds, 206.641 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=400000) takes 0.004 seconds, 206.641 MB of memory in use PRESSURE: 400200 -62.0519 23.9734 39.6589 23.9718 -537.962 -99.3211 39.6592 -99.3217 -10.154 GPRESSURE: 400200 14.0973 -9.15587 73.0362 62.0673 -499.994 -68.7809 68.1089 -152.563 -13.9372 PRESSAVG: 400200 27.0843 -1.68347 -9.91829 -1.68349 -37.6447 -5.714 -9.91819 -5.71406 -10.27 GPRESSAVG: 400200 27.0594 -1.58222 -10.656 -1.14997 -37.4462 -7.95004 -10.2591 -5.29967 -10.7279 TIMING: 400200 CPU: 1193.56, 0.0030322/step Wall: 1193.56, 0.0030322/step, 3.8743 hours remaining, 206.640625 MB of memory in use. ENERGY: 400200 748.2050 2099.2771 1951.3916 110.7919 -205662.7450 17576.6292 0.0000 0.0000 34233.5037 -148942.9464 298.9697 -183176.4502 -148839.9942 300.3686 -203.3894 -166.6114 557122.1864 -6.9435 -7.0382 LDB: ============= START OF LOAD BALANCING ============== 1197.11 LDB: ============== END OF LOAD BALANCING =============== 1197.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1197.11 LDB: ============= START OF LOAD BALANCING ============== 1197.4 LDB: Largest compute 4774 load 0.028521 is 24.2% of average load 0.117956 LDB: Average compute 0.001734 is 1.5% of average load 0.117956 LDB: TIME 1197.41 LOAD: AVG 0.117956 MAX 0.203974 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.184 MB LDB: TIME 1197.41 LOAD: AVG 0.117956 MAX 0.203974 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.258 MB LDB: TIME 1197.41 LOAD: AVG 0.117956 MAX 0.203974 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.258 MB LDB: ============== END OF LOAD BALANCING =============== 1197.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1197.41 PRESSURE: 400400 -132.465 -24.5096 3.79624 -24.5095 44.2565 6.65878 3.79618 6.65731 88.1758 GPRESSURE: 400400 -84.603 23.5853 -19.8253 -104.095 69.7489 18.6107 37.5228 -27.0772 122.534 PRESSAVG: 400400 -25.7914 -18.8982 0.995625 -18.8982 -26.2109 -26.2735 0.9955 -26.2735 25.6615 GPRESSAVG: 400400 -25.1297 -17.0056 -1.39084 -20.7897 -27.5797 -24.0623 1.25251 -26.2325 26.6558 TIMING: 400400 CPU: 1194.16, 0.00303242/step Wall: 1194.16, 0.00303242/step, 3.87442 hours remaining, 206.578125 MB of memory in use. ENERGY: 400400 770.7994 2096.1776 1913.9278 114.5434 -206093.8789 17953.0328 0.0000 0.0000 34163.5822 -149081.8157 298.3591 -183245.3979 -148988.8380 300.4062 -0.0109 35.8934 558201.8983 -8.7803 -8.6845 PRESSURE: 400600 -24.8072 20.8015 143.495 20.8007 113.125 39.0684 143.496 39.0678 164.503 GPRESSURE: 400600 -26.6224 -3.55623 124.958 69.8477 132.594 36.4156 163.313 65.2924 248.065 PRESSAVG: 400600 -11.6415 6.20282 12.3197 6.20281 30.2162 -26.3982 12.3198 -26.3983 -59.6251 GPRESSAVG: 400600 -12.1481 5.48776 11.9319 7.88734 30.5131 -25.4448 14.6273 -27.644 -59.7284 TIMING: 400600 CPU: 1194.76, 0.00297733/step Wall: 1194.76, 0.00297733/step, 3.80387 hours remaining, 206.578125 MB of memory in use. ENERGY: 400600 749.1489 2054.9065 1924.6502 114.0262 -205923.3468 17775.9233 0.0000 0.0000 34279.9219 -149024.7698 299.3751 -183304.6916 -148924.4934 299.8751 84.2737 118.0122 557747.9473 -13.6835 -13.7878 PRESSURE: 400800 -407.524 175.407 40.3609 175.406 -369.388 -61.9998 40.3616 -61.9994 -185.736 GPRESSURE: 400800 -380.35 194.463 -70.1759 98.2829 -326.323 -116.282 175.009 62.5932 -158.328 PRESSAVG: 400800 -55.5729 72.4539 4.47145 72.4539 23.7061 -35.2189 4.47159 -35.2188 1.5287 GPRESSAVG: 400800 -55.4219 71.4116 5.20729 71.9569 23.5333 -36.2755 2.49222 -34.5736 1.59711 TIMING: 400800 CPU: 1195.35, 0.00297497/step Wall: 1195.35, 0.00297497/step, 3.80069 hours remaining, 206.578125 MB of memory in use. ENERGY: 400800 783.1998 2095.3307 1928.5675 117.9131 -205695.0103 17408.7253 0.0000 0.0000 34256.5901 -149104.6839 299.1713 -183361.2739 -149007.2054 299.4514 -320.8825 -288.3335 557274.3082 -10.1127 -10.0971 PRESSURE: 401000 -39.2132 -15.5835 62.3623 -15.5834 -135.304 -14.3922 62.362 -14.3917 -96.2043 GPRESSURE: 401000 -42.9022 -47.9412 48.2359 -0.106687 -87.105 71.4852 20.6636 -28.0064 -34.8455 PRESSAVG: 401000 -28.707 47.8967 19.2321 47.8967 -5.72344 18.7035 19.2321 18.7035 14.591 GPRESSAVG: 401000 -27.8152 49.4419 22.0859 48.457 -5.435 18.3827 19.2596 18.2709 13.3728 TIMING: 401000 CPU: 1195.94, 0.00295885/step Wall: 1195.94, 0.00295885/step, 3.77993 hours remaining, 206.703125 MB of memory in use. ENERGY: 401000 764.5560 2107.3259 1924.3247 114.0842 -205980.6828 17626.1205 0.0000 0.0000 34475.3377 -148968.9339 301.0817 -183444.2715 -148873.6367 299.4795 -90.2406 -54.9509 556049.4392 -6.6131 -6.6258 PRESSURE: 401200 169.619 74.3409 38.6833 74.3419 -31.9925 -81.5146 38.6829 -81.5172 191.284 GPRESSURE: 401200 144.178 62.3308 18.9916 38.5528 38.8245 -80.5926 152.2 -105.11 242.354 PRESSAVG: 401200 -1.22145 33.2738 -59.1637 33.2739 31.9858 24.0065 -59.1637 24.0065 -23.924 GPRESSAVG: 401200 -1.64237 32.2544 -61.7629 31.5573 31.7153 25.4817 -56.6607 22.9806 -23.3714 TIMING: 401200 CPU: 1196.54, 0.00298441/step Wall: 1196.54, 0.00298441/step, 3.81242 hours remaining, 206.703125 MB of memory in use. ENERGY: 401200 703.0831 2082.0725 1930.1736 110.3552 -206153.2682 17862.0306 0.0000 0.0000 34279.4005 -149186.1528 299.3705 -183465.5533 -149092.6225 299.8678 109.6367 141.7853 556382.3256 2.2801 2.2338 PRESSURE: 401400 11.6657 -144.372 -28.5069 -144.372 -126.044 -110.408 -28.5067 -110.409 -40.957 GPRESSURE: 401400 42.5972 -138.489 -67.7198 -155.86 -136.292 -46.2383 44.965 -177.365 45.2247 PRESSAVG: 401400 -34.2567 -41.119 0.850227 -41.1191 -6.9423 -63.0197 0.850092 -63.0197 69.1871 GPRESSAVG: 401400 -35.4408 -41.5761 2.24223 -37.9699 -5.7769 -64.1559 -1.52471 -60.918 68.9049 TIMING: 401400 CPU: 1197.13, 0.00295072/step Wall: 1197.13, 0.00295072/step, 3.76921 hours remaining, 206.703125 MB of memory in use. ENERGY: 401400 753.9095 2105.5291 1925.6506 103.8044 -206032.3144 17776.9346 0.0000 0.0000 34312.1644 -149054.3219 299.6567 -183366.4863 -148950.8165 299.8895 -51.7784 -16.1566 556938.9022 9.3293 9.2291 PRESSURE: 401600 231.987 24.8744 60.1202 24.8744 -125.882 68.1025 60.1189 68.1018 99.6031 GPRESSURE: 401600 283.107 -0.941736 23.0718 -0.01648 -82.2386 48.7229 -17.6874 117.197 97.0851 PRESSAVG: 401600 7.12559 -2.82774 -54.0321 -2.82779 62.6861 -11.5471 -54.0323 -11.547 -8.74467 GPRESSAVG: 401600 8.41238 -3.54954 -55.0757 -5.32153 61.7976 -11.3067 -52.8515 -13.3388 -9.35092 TIMING: 401600 CPU: 1197.72, 0.00294328/step Wall: 1197.72, 0.00294328/step, 3.75955 hours remaining, 206.703125 MB of memory in use. ENERGY: 401600 766.7068 2164.0294 1923.8868 109.3287 -206356.3644 17895.2206 0.0000 0.0000 34293.5096 -149203.6825 299.4937 -183497.1921 -149107.5443 300.1181 68.5695 99.3177 558072.9539 20.3557 20.2863 PRESSURE: 401800 -251.928 -68.1509 39.9817 -68.1514 -379.182 -26.4892 39.9823 -26.4888 53.2805 GPRESSURE: 401800 -216.622 15.4723 151.433 -141.323 -330.211 -112.189 -8.6474 -2.86665 71.9719 PRESSAVG: 401800 43.0297 -9.9388 -59.3442 -9.9389 -26.3749 0.688085 -59.3442 0.688103 10.9526 GPRESSAVG: 401800 42.7593 -9.45916 -56.5459 -10.4541 -26.5232 1.01426 -60.0241 0.475881 11.9702 TIMING: 401800 CPU: 1198.31, 0.0029405/step Wall: 1198.31, 0.0029405/step, 3.75583 hours remaining, 206.703125 MB of memory in use. ENERGY: 401800 755.8899 2133.2372 1928.3700 121.8466 -205858.2513 17445.0452 0.0000 0.0000 34334.3984 -149139.4639 299.8508 -183473.8624 -149048.1398 299.5293 -192.6100 -158.2872 558558.5486 9.2025 9.4021 PRESSURE: 402000 -40.9899 83.4208 -184.512 83.4208 23.7043 -111.146 -184.513 -111.146 87.2427 GPRESSURE: 402000 25.9592 49.8231 -150.234 11.6044 -2.09814 -28.7099 -189.698 -118.869 150.134 PRESSAVG: 402000 -3.85307 -7.75725 -13.6776 -7.75717 -36.6336 7.69847 -13.6777 7.69855 18.2441 GPRESSAVG: 402000 -5.29114 -9.50922 -14.871 -6.53894 -35.3108 8.84301 -13.9953 6.58938 18.4717 TIMING: 402000 CPU: 1198.9, 0.00294616/step Wall: 1198.9, 0.00294617/step, 3.76291 hours remaining, 206.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 402000 721.9362 2125.2181 1920.9055 109.9124 -206295.8328 17871.6756 0.0000 0.0000 34313.1112 -149233.0737 299.6649 -183546.1849 -149132.8014 299.9110 23.3190 57.9982 558501.1618 -7.4142 -7.3768 PRESSURE: 402200 77.7378 41.8967 -83.2221 41.8952 -93.1387 15.551 -83.223 15.5494 117.58 GPRESSURE: 402200 93.9694 -9.12256 -56.7872 13.8353 -20.7723 33.3062 -60.8842 26.2096 134.116 PRESSAVG: 402200 -32.5602 -18.4186 25.7608 -18.4187 0.839677 -29.468 25.7609 -29.4682 39.4117 GPRESSAVG: 402200 -30.5824 -18.8076 26.058 -18.2365 -0.557263 -30.9968 25.5262 -27.1281 39.3565 TIMING: 402200 CPU: 1199.49, 0.00296613/step Wall: 1199.49, 0.00296613/step, 3.78824 hours remaining, 206.703125 MB of memory in use. ENERGY: 402200 711.6310 2114.2101 1938.2609 113.2870 -205922.6731 17682.5204 0.0000 0.0000 34315.4335 -149047.3302 299.6852 -183362.7637 -148956.3824 299.5357 34.0596 69.1043 557496.2015 2.5637 2.7389 PRESSURE: 402400 -294.164 197.435 41.4539 197.434 -43.9351 20.8333 41.4543 20.8327 -95.7056 GPRESSURE: 402400 -261.54 133.376 -14.4869 150.029 0.613713 -38.6019 13.12 -8.56061 -61.1297 PRESSAVG: 402400 -90.5443 49.7086 -9.59493 49.7086 -20.7767 -24.4812 -9.59494 -24.4812 76.9232 GPRESSAVG: 402400 -90.6394 50.3891 -10.308 49.4379 -19.2936 -24.3894 -8.59831 -24.3469 76.234 TIMING: 402400 CPU: 1200.09, 0.00299479/step Wall: 1200.09, 0.00299479/step, 3.82468 hours remaining, 206.703125 MB of memory in use. ENERGY: 402400 781.0680 2092.1513 1949.3534 104.7842 -206059.8705 17829.2870 0.0000 0.0000 34236.2473 -149066.9793 298.9937 -183303.2266 -148972.2233 299.8471 -144.6015 -107.3519 558832.4262 -11.4659 -11.2330 PRESSURE: 402600 37.2254 141.17 56.4234 141.171 -232.206 117.871 56.4255 117.871 -17.8777 GPRESSURE: 402600 43.672 110.584 36.5942 198.899 -173.709 104.406 124.599 113.757 11.8024 PRESSAVG: 402600 -20.5276 44.234 10.0259 44.2341 -51.182 48.1713 10.026 48.1712 39.9437 GPRESSAVG: 402600 -20.677 44.3478 10.2937 44.5197 -51.9996 49.7961 9.47256 45.3918 41.1274 TIMING: 402600 CPU: 1200.69, 0.00299486/step Wall: 1200.69, 0.00299486/step, 3.8246 hours remaining, 206.703125 MB of memory in use. ENERGY: 402600 746.5039 2118.6839 1929.6662 116.7787 -205724.6033 17567.5013 0.0000 0.0000 34131.4581 -149114.0113 298.0785 -183245.4694 -149017.7119 299.5855 -70.9528 -39.4117 558018.9136 -10.5886 -10.5164 PRESSURE: 402800 50.454 -93.7357 112.978 -93.7348 -256.548 -185.06 112.977 -185.06 -233.013 GPRESSURE: 402800 127.175 -161.248 65.0675 -93.1566 -218.151 -129.625 85.9342 -140.554 -245.791 PRESSAVG: 402800 -33.3777 -6.68571 25.4299 -6.68571 41.3569 -26.9796 25.43 -26.9797 6.96267 GPRESSAVG: 402800 -33.8813 -3.98542 26.4743 -9.95568 42.7254 -28.2248 24.1624 -25.4994 5.98948 TIMING: 402800 CPU: 1201.29, 0.00300022/step Wall: 1201.29, 0.00300021/step, 3.83127 hours remaining, 206.703125 MB of memory in use. ENERGY: 402800 731.0163 2035.7204 1945.8591 119.7574 -205814.5907 17344.0184 0.0000 0.0000 34424.6783 -149213.5408 300.6393 -183638.2192 -149109.5718 299.0634 -146.3690 -112.2556 556818.4182 4.9806 4.9445 PRESSURE: 403000 -78.2158 50.9041 49.6005 50.904 -13.3064 -62.5903 49.6013 -62.5895 -227.686 GPRESSURE: 403000 -24.281 124.769 87.2957 39.167 -18.1204 -20.4164 26.589 -79.8296 -169.338 PRESSAVG: 403000 4.68551 -33.3396 -18.9748 -33.3397 10.1648 22.3351 -18.9748 22.3352 10.5093 GPRESSAVG: 403000 5.67819 -35.5208 -19.8819 -30.2416 9.02187 22.5998 -16.7363 26.0858 11.0656 TIMING: 403000 CPU: 1201.89, 0.00298006/step Wall: 1201.89, 0.00298006/step, 3.80537 hours remaining, 206.703125 MB of memory in use. ENERGY: 403000 742.3443 2115.8984 1935.3107 104.2888 -206192.6802 17735.1628 0.0000 0.0000 34076.1853 -149483.4898 297.5958 -183559.6752 -149382.0888 298.9086 -106.4029 -70.5799 557080.8744 8.4532 8.5885 PRESSURE: 403200 -226.431 -150.556 39.0302 -150.556 -128.5 -18.9819 39.0299 -18.9812 -124.507 GPRESSURE: 403200 -178.882 -150.569 75.1231 -160.999 -93.2031 -95.5051 60.0916 4.69478 -116.915 PRESSAVG: 403200 -9.13358 51.1383 -18.0576 51.1384 -12.0171 -14.5233 -18.0575 -14.5235 -9.33031 GPRESSAVG: 403200 -10.3948 49.5119 -17.5477 51.7258 -10.2388 -13.9426 -18.424 -15.3566 -9.13288 TIMING: 403200 CPU: 1202.48, 0.00296737/step Wall: 1202.48, 0.00296737/step, 3.789 hours remaining, 206.703125 MB of memory in use. ENERGY: 403200 776.1023 2091.0006 1923.7124 113.1858 -205762.5540 17464.4803 0.0000 0.0000 33807.6124 -149586.4602 295.2503 -183394.0727 -149493.4472 299.0613 -159.8128 -129.6668 557425.0839 -10.1603 -9.9222 PRESSURE: 403400 103.571 -121.453 39.0079 -121.453 191.708 -119.321 39.0093 -119.322 -29.3455 GPRESSURE: 403400 138.86 -148.622 30.0333 -92.4226 266.307 -188.19 64.5745 -97.6447 -36.4444 PRESSAVG: 403400 60.7864 -15.5636 -8.94735 -15.5636 54.4979 -3.21932 -8.94726 -3.21928 -85.8636 GPRESSAVG: 403400 62.2271 -14.3766 -8.58719 -15.4651 53.7081 -3.3089 -8.27469 -3.499 -86.1136 TIMING: 403400 CPU: 1203.07, 0.00295329/step Wall: 1203.07, 0.00295329/step, 3.77086 hours remaining, 206.703125 MB of memory in use. ENERGY: 403400 730.5379 2161.3306 1960.2268 121.0049 -206772.7546 18003.4402 0.0000 0.0000 34234.6299 -149561.5843 298.9795 -183796.2141 -149466.7707 298.9009 88.6444 122.9075 557896.1318 9.8069 9.9405 PRESSURE: 403600 -109.417 94.564 -129.956 94.5629 -89.2587 -44.6804 -129.957 -44.6801 -117.442 GPRESSURE: 403600 -107.195 64.5383 -44.1199 92.3728 -132.896 -72.7366 -72.2383 -65.6952 25.6359 PRESSAVG: 403600 13.4838 -16.3551 -9.8617 -16.355 44.595 16.5995 -9.86179 16.5995 -14.1938 GPRESSAVG: 403600 12.6442 -15.1564 -11.4694 -15.9534 44.6802 15.3459 -9.20585 16.2147 -13.1287 TIMING: 403600 CPU: 1203.66, 0.00296217/step Wall: 1203.66, 0.00296217/step, 3.78203 hours remaining, 206.703125 MB of memory in use. ENERGY: 403600 735.5069 2101.4004 1946.0308 93.3685 -206318.8879 17777.8621 0.0000 0.0000 34107.4052 -149557.3139 297.8685 -183664.7191 -149464.4452 298.0897 -105.3726 -71.4851 557810.4332 14.6283 14.7319 PRESSURE: 403800 157.156 -91.7356 -33.0324 -91.7359 51.2451 28.6526 -33.0328 28.6532 -70.0487 GPRESSURE: 403800 147.16 -65.6817 -20.5785 -79.1756 140.926 124.634 -0.149792 -23.1479 -39.1226 PRESSAVG: 403800 -8.0818 -19.2174 -30.2809 -19.2174 31.7493 8.1172 -30.2808 8.11717 -0.502651 GPRESSAVG: 403800 -8.27877 -18.6867 -30.8112 -21.0789 33.5825 7.66365 -30.0903 8.41005 -2.0158 TIMING: 403800 CPU: 1204.25, 0.00295191/step Wall: 1204.25, 0.00295191/step, 3.76877 hours remaining, 206.703125 MB of memory in use. ENERGY: 403800 747.4396 2100.1919 1944.5973 122.3950 -206565.6180 17996.1189 0.0000 0.0000 34202.3829 -149452.4924 298.6979 -183654.8753 -149353.3297 298.6774 46.1175 82.9879 556279.7464 7.7216 7.7626 PRESSURE: 404000 51.3402 36.542 -194.468 36.5417 54.6013 0.841843 -194.469 0.841008 -52.5733 GPRESSURE: 404000 73.7339 38.8532 -160.105 22.9861 84.6935 -16.473 -146.437 28.5028 -9.55918 PRESSAVG: 404000 25.328 -19.2826 8.92831 -19.2826 5.887 8.12822 8.92833 8.12821 -5.89909 GPRESSAVG: 404000 26.4594 -18.5356 11.5301 -19.8006 5.44887 8.80813 7.61242 7.18332 -6.89129 TIMING: 404000 CPU: 1204.84, 0.002945/step Wall: 1204.84, 0.002945/step, 3.75978 hours remaining, 206.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 404000 721.8199 2093.5320 1933.6602 120.5993 -206628.3481 18000.8557 0.0000 0.0000 34286.2376 -149471.6434 299.4302 -183757.8810 -149367.5184 298.6638 17.7894 49.6228 557129.5340 8.4386 8.3390 PRESSURE: 404200 32.8259 28.979 -67.1896 28.9808 -104.773 83.4684 -67.1889 83.468 13.9296 GPRESSURE: 404200 44.6796 37.6025 -41.9699 -47.5837 -54.0071 97.2728 -92.0357 77.3658 38.6617 PRESSAVG: 404200 -24.628 17.3872 -41.5175 17.3872 36.375 73.6886 -41.5175 73.6885 -24.154 GPRESSAVG: 404200 -25.3593 15.9005 -44.3042 18.82 36.1283 74.8975 -42.4032 72.4097 -22.6816 TIMING: 404200 CPU: 1205.43, 0.00295697/step Wall: 1205.43, 0.00295697/step, 3.77491 hours remaining, 206.703125 MB of memory in use. ENERGY: 404200 742.2102 2100.1790 1916.1884 121.4994 -206652.2306 17962.1082 0.0000 0.0000 34198.1425 -149611.9027 298.6609 -183810.0452 -149509.0978 299.0206 -19.3391 9.7781 558500.3662 -4.1357 -3.9709 LDB: ============= START OF LOAD BALANCING ============== 1208.98 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1208.98 LDB: =============== DONE WITH MIGRATION ================ 1208.98 LDB: ============= START OF LOAD BALANCING ============== 1209.27 LDB: Largest compute 4796 load 0.029122 is 24.7% of average load 0.118036 LDB: Average compute 0.001740 is 1.5% of average load 0.118036 LDB: TIME 1209.27 LOAD: AVG 0.118036 MAX 0.201508 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.578 MB LDB: TIME 1209.27 LOAD: AVG 0.118036 MAX 0.201508 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.582 MB LDB: TIME 1209.27 LOAD: AVG 0.118036 MAX 0.201508 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.582 MB LDB: ============== END OF LOAD BALANCING =============== 1209.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1209.28 PRESSURE: 404400 -154.87 26.8785 -144.696 26.879 160.327 -201.298 -144.696 -201.298 -8.36614 GPRESSURE: 404400 -99.4735 52.3836 -161.335 6.98984 164.479 -253.619 -124.624 -203.324 26.5499 PRESSAVG: 404400 -28.6731 16.5013 35.1066 16.5014 60.5954 -26.0964 35.1066 -26.0964 4.61366 GPRESSAVG: 404400 -29.2885 17.8653 37.8068 16.6248 61.2036 -28.0163 34.0628 -26.0697 4.48448 TIMING: 404400 CPU: 1206.03, 0.00299314/step Wall: 1206.03, 0.00299314/step, 3.82091 hours remaining, 207.089844 MB of memory in use. ENERGY: 404400 809.9108 2134.9681 1929.0727 111.6455 -206886.1699 18022.6319 0.0000 0.0000 34163.6912 -149714.2496 298.3600 -183877.9408 -149619.4575 298.5082 -0.9699 30.5184 557499.7988 12.1786 12.1332 PRESSURE: 404600 -289.719 18.7602 16.755 18.7596 -264.478 -65.7888 16.7554 -65.7883 -158.192 GPRESSURE: 404600 -281.572 30.4162 65.3643 69.7751 -228.666 -81.5442 6.08525 -23.4469 -103.821 PRESSAVG: 404600 -62.8036 -30.6541 13.6503 -30.6541 35.4438 -13.4349 13.6503 -13.4349 82.6885 GPRESSAVG: 404600 -62.1271 -32.1804 12.0002 -29.6666 33.8501 -10.1568 14.6026 -16.0209 83.3784 TIMING: 404600 CPU: 1206.62, 0.00296393/step Wall: 1206.62, 0.00296393/step, 3.78345 hours remaining, 207.089844 MB of memory in use. ENERGY: 404600 737.6472 2148.6494 1956.5491 115.9796 -206160.6981 17486.9968 0.0000 0.0000 34077.7048 -149637.1712 297.6091 -183714.8760 -149538.5796 298.6353 -237.4633 -204.6864 558463.4218 18.4429 18.3671 PRESSURE: 404800 -310.046 -1.12521 148.456 -1.12571 -64.3702 -61.2908 148.457 -61.2912 173.56 GPRESSURE: 404800 -222.618 57.9139 116.468 -3.07047 -17.2078 -22.3694 133.947 -191.163 138.826 PRESSAVG: 404800 -32.9897 21.9803 12.3742 21.9802 25.7803 39.0569 12.374 39.0568 0.482968 GPRESSAVG: 404800 -32.166 21.9131 12.4979 21.2061 25.6471 37.6433 13.0427 40.3556 0.000567621 TIMING: 404800 CPU: 1207.21, 0.00295051/step Wall: 1207.21, 0.00295051/step, 3.76617 hours remaining, 207.089844 MB of memory in use. ENERGY: 404800 731.4873 2094.6713 1937.6707 124.1120 -206251.5037 17682.0589 0.0000 0.0000 34161.9267 -149519.5767 298.3446 -183681.5035 -149430.9694 298.4181 -66.9519 -33.6664 556431.7769 -2.2421 -2.1728 PRESSURE: 405000 66.0915 23.1294 73.7065 23.1305 -83.6601 -190.988 73.7073 -190.987 83.6547 GPRESSURE: 405000 64.6501 -34.7982 -0.175779 61.1317 -66.8304 -238.553 86.9443 -168.392 158.901 PRESSAVG: 405000 -46.4381 20.0418 19.2351 20.0418 54.8657 -14.5318 19.2351 -14.5317 13.9316 GPRESSAVG: 405000 -47.7874 22.4019 17.9813 20.0444 54.8167 -14.1293 20.0009 -15.4196 14.8037 TIMING: 405000 CPU: 1207.81, 0.00295993/step Wall: 1207.81, 0.00295993/step, 3.77802 hours remaining, 207.089844 MB of memory in use. ENERGY: 405000 748.5148 2071.1304 1952.5065 117.9658 -206275.2453 17843.7709 0.0000 0.0000 34081.0332 -149460.3237 297.6381 -183541.3569 -149359.7074 298.3786 22.0287 52.2404 558056.0962 7.4531 7.2777 PRESSURE: 405200 -97.7412 -1.3609 -83.3881 -1.36025 269.087 123.812 -83.3885 123.812 -291.561 GPRESSURE: 405200 -52.9587 8.27097 40.4845 -72.2651 258.896 95.42 -163.754 84.536 -239.618 PRESSAVG: 405200 29.8146 33.9635 -54.1809 33.9635 37.3374 52.6494 -54.1809 52.6493 -33.1288 GPRESSAVG: 405200 30.5242 30.6948 -54.8918 35.5975 37.4479 50.6827 -53.8794 55.7863 -34.2873 TIMING: 405200 CPU: 1208.4, 0.00294728/step Wall: 1208.4, 0.00294728/step, 3.76171 hours remaining, 207.089844 MB of memory in use. ENERGY: 405200 745.9835 2136.0144 1948.3586 112.3668 -206551.8314 17793.7169 0.0000 0.0000 34261.3547 -149554.0365 299.2129 -183815.3912 -149455.3188 299.0914 -40.0715 -11.2269 557190.8020 11.3411 11.2282 PRESSURE: 405400 -9.00828 -91.7551 -96.7804 -91.7543 153.674 -12.4807 -96.7806 -12.4803 -63.3219 GPRESSURE: 405400 -20.4662 -7.20556 -118.342 -82.1862 218.877 47.0904 -93.7956 11.6278 -7.51656 PRESSAVG: 405400 -4.94001 -17.346 -56.0375 -17.346 29.2008 2.61696 -56.0375 2.61708 -75.7623 GPRESSAVG: 405400 -4.89851 -15.0964 -54.733 -18.142 28.7744 3.6797 -55.6382 1.89671 -75.0281 TIMING: 405400 CPU: 1208.98, 0.00292832/step Wall: 1208.98, 0.00292832/step, 3.73735 hours remaining, 207.089844 MB of memory in use. ENERGY: 405400 721.0184 2090.4138 1930.3168 117.0498 -206398.1864 17752.9287 0.0000 0.0000 34328.8941 -149457.5649 299.8028 -183786.4589 -149368.1166 298.3839 27.1145 63.6314 556907.2977 -17.1672 -17.0507 PRESSURE: 405600 196.488 -131.053 -55.7341 -131.053 -53.8216 -75.6962 -55.7331 -75.6973 47.6961 GPRESSURE: 405600 229.272 -154.191 -72.8391 -143.942 -21.523 -57.2183 19.3683 -157.07 81.5577 PRESSAVG: 405600 37.4641 -35.7018 -11.6544 -35.7018 -41.1632 19.8471 -11.6543 19.8472 10.6594 GPRESSAVG: 405600 37.623 -34.919 -11.7132 -36.5732 -41.7566 18.8753 -12.1448 22.0447 11.1676 TIMING: 405600 CPU: 1209.56, 0.00291985/step Wall: 1209.56, 0.00291985/step, 3.72637 hours remaining, 207.292969 MB of memory in use. ENERGY: 405600 753.8970 2109.7211 1915.6172 122.2391 -206689.3784 18162.0391 0.0000 0.0000 34026.4059 -149599.4590 297.1611 -183625.8649 -149503.8789 299.1412 63.4540 96.4354 556676.7455 2.3201 2.3447 PRESSURE: 405800 145.459 -66.9431 -55.4517 -66.9436 114.895 23.0734 -55.4518 23.0739 2.1878 GPRESSURE: 405800 199.764 -142.145 -85.6848 -61.0584 43.2738 50.8428 -30.4046 9.149 109.843 PRESSAVG: 405800 -69.9257 8.74892 -28.8753 8.74898 10.3475 13.8509 -28.8752 13.8508 53.7152 GPRESSAVG: 405800 -70.8379 8.9171 -27.3831 8.80785 12.2753 13.3826 -27.7188 12.8436 53.1429 TIMING: 405800 CPU: 1210.15, 0.00294598/step Wall: 1210.15, 0.00294598/step, 3.75957 hours remaining, 207.292969 MB of memory in use. ENERGY: 405800 740.4760 2161.9227 1929.2615 109.0967 -206500.0250 17887.3804 0.0000 0.0000 34186.6870 -149485.2006 298.5608 -183671.8875 -149387.1513 299.0990 87.5139 117.6267 557064.2582 -1.9544 -1.8066 PRESSURE: 406000 23.8487 -3.57846 95.6117 -3.57796 46.7731 71.0897 95.6124 71.0896 -153.337 GPRESSURE: 406000 74.0406 -23.9787 107.134 16.4162 73.9282 102.018 64.9653 56.5687 -128.836 PRESSAVG: 406000 18.4695 49.0736 -7.93633 49.0736 -0.631449 21.2397 -7.93631 21.2396 -37.7719 GPRESSAVG: 406000 20.1239 47.7493 -9.93641 50.593 -1.41568 22.3361 -9.52728 20.7974 -38.265 TIMING: 406000 CPU: 1210.75, 0.00296404/step Wall: 1210.75, 0.00296404/step, 3.78244 hours remaining, 207.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 406000 767.6520 2061.6821 1931.3765 111.5593 -206282.8503 17751.9155 0.0000 0.0000 34169.1938 -149489.4710 298.4081 -183658.6648 -149392.1156 298.7962 -27.5716 6.3776 557646.2000 -6.6446 -6.5189 PRESSURE: 406200 58.0997 78.6665 15.54 78.6673 14.2126 -42.1591 15.5406 -42.1594 208.066 GPRESSURE: 406200 106.525 77.3679 -10.0082 126.978 9.49515 -75.8181 -24.4248 -49.9501 248.582 PRESSAVG: 406200 -20.6871 16.6747 12.5292 16.6746 -16.5113 45.0325 12.5292 45.0326 34.364 GPRESSAVG: 406200 -21.9971 18.8044 11.9778 14.4256 -16.3314 43.1091 13.8848 44.8094 35.2048 TIMING: 406200 CPU: 1211.34, 0.00297078/step Wall: 1211.34, 0.00297078/step, 3.79088 hours remaining, 207.292969 MB of memory in use. ENERGY: 406200 804.9725 2146.4239 1940.3202 98.9447 -206423.1618 18084.1284 0.0000 0.0000 33970.5584 -149377.8138 296.6733 -183348.3722 -149281.0812 298.9428 93.4595 121.5342 557832.4276 -0.9448 -1.0412 PRESSURE: 406400 -30.0235 -65.5516 32.0747 -65.5514 -145.305 163.453 32.0754 163.452 -100.339 GPRESSURE: 406400 -7.78783 -52.1791 26.7295 -50.9062 -39.4673 147.285 -35.0581 129.44 -124.275 PRESSAVG: 406400 38.3769 15.1018 10.3489 15.1018 -34.3016 43.6748 10.3488 43.6749 46.8194 GPRESSAVG: 406400 39.5143 15.5395 11.823 15.0226 -34.0972 45.155 7.63251 43.4324 45.3825 TIMING: 406400 CPU: 1211.93, 0.00296881/step Wall: 1211.93, 0.00296881/step, 3.7882 hours remaining, 207.292969 MB of memory in use. ENERGY: 406400 745.1225 2151.4437 1943.4805 121.0759 -206323.8680 17827.4795 0.0000 0.0000 34170.8971 -149364.3689 298.4229 -183535.2660 -149265.4442 299.0982 -91.8892 -57.1767 558854.6465 16.9649 16.9332 PRESSURE: 406600 -172.627 114.168 -16.6212 114.167 -154.257 -34.4008 -16.6219 -34.402 -259.291 GPRESSURE: 406600 -180.87 38.4619 -81.777 94.9368 -133.101 -107.558 7.11596 -44.1602 -169.869 PRESSAVG: 406600 44.2409 13.777 41.1819 13.777 -44.907 3.89002 41.182 3.88999 -32.2294 GPRESSAVG: 406600 44.3963 12.0545 39.7297 15.6026 -46.6332 2.64011 41.9894 6.80869 -30.5287 TIMING: 406600 CPU: 1212.53, 0.0029588/step Wall: 1212.53, 0.0029588/step, 3.77526 hours remaining, 207.292969 MB of memory in use. ENERGY: 406600 773.2204 2103.0899 1931.6966 105.9134 -206184.2204 17604.8367 0.0000 0.0000 34383.6783 -149281.7851 300.2812 -183665.4634 -149185.3698 298.5349 -195.3915 -161.2799 557392.9174 -10.9652 -10.9219 PRESSURE: 406800 89.085 89.5689 76.4016 89.5706 -306.077 58.8968 76.4008 58.8951 211.95 GPRESSURE: 406800 120.488 85.0905 147.576 -28.3514 -238.176 127.807 14.5308 66.4346 214.54 PRESSAVG: 406800 92.0675 -60.1536 -11.5128 -60.1537 7.85148 7.60842 -11.5128 7.60862 -39.4011 GPRESSAVG: 406800 91.6309 -58.7402 -11.1297 -61.298 9.18049 8.60568 -10.0695 6.17401 -40.2906 TIMING: 406800 CPU: 1213.12, 0.00298085/step Wall: 1213.12, 0.00298085/step, 3.80324 hours remaining, 207.292969 MB of memory in use. ENERGY: 406800 747.2481 2071.4417 1914.2331 98.6302 -206271.1494 17767.2175 0.0000 0.0000 34411.5743 -149260.8045 300.5248 -183672.3788 -149162.5194 299.1716 -1.6804 32.2842 555813.3220 20.1726 20.1736 PRESSURE: 407000 -35.9391 -95.2182 62.3789 -95.2183 157.288 -207.528 62.3797 -207.528 -114.817 GPRESSURE: 407000 -27.5963 -183.689 160.943 -3.10144 174.591 -190.813 11.6598 -149.825 -45.605 PRESSAVG: 407000 -8.06571 54.3608 52.2444 54.3608 -9.82773 -19.1666 52.2444 -19.1666 4.8355 GPRESSAVG: 407000 -8.15412 51.4611 53.6046 54.3288 -9.66831 -19.4582 51.0234 -20.5587 4.82293 TIMING: 407000 CPU: 1213.72, 0.00296193/step Wall: 1213.72, 0.00296193/step, 3.77893 hours remaining, 207.292969 MB of memory in use. ENERGY: 407000 709.4791 2038.0643 1937.4442 109.8325 -206007.8885 17651.1256 0.0000 0.0000 34335.1001 -149226.8428 299.8570 -183561.9429 -149130.5806 299.8511 2.1773 33.7964 556741.5108 -4.3526 -4.3332 PRESSURE: 407200 30.4085 -16.6868 -58.8507 -16.6862 -14.6187 -2.6574 -58.8502 -2.65759 -114.678 GPRESSURE: 407200 119.38 -143.4 -120.058 -0.392374 -71.7984 99.342 -70.2772 -60.0876 -42.9287 PRESSAVG: 407200 35.2797 22.8147 -12.0552 22.8147 18.491 32.7693 -12.0552 32.7693 -4.31593 GPRESSAVG: 407200 35.0098 23.1194 -13.5474 22.6727 18.7905 33.6979 -11.4827 33.695 -3.64859 TIMING: 407200 CPU: 1214.31, 0.00297035/step Wall: 1214.31, 0.00297035/step, 3.78951 hours remaining, 207.292969 MB of memory in use. ENERGY: 407200 758.5266 2102.4746 1920.9116 106.2563 -205813.3809 17789.1298 0.0000 0.0000 34067.2896 -149068.7926 297.5181 -183136.0821 -148973.0665 299.2247 -32.9627 1.5508 556904.5744 16.4849 16.7172 PRESSURE: 407400 -141.37 22.6346 -252.769 22.6346 -176.121 26.7789 -252.768 26.7797 -65.8029 GPRESSURE: 407400 -110.159 76.1342 -287.463 -7.23433 -159.331 -12.4832 -237.534 14.923 -18.5892 PRESSAVG: 407400 -32.2241 59.8346 4.80629 59.8346 -43.2431 -5.07056 4.80625 -5.07056 76.9462 GPRESSAVG: 407400 -32.0602 59.0319 2.95076 59.9947 -42.7391 -5.71405 5.55613 -5.40884 76.4264 TIMING: 407400 CPU: 1214.9, 0.00295667/step Wall: 1214.9, 0.00295667/step, 3.77189 hours remaining, 207.292969 MB of memory in use. ENERGY: 407400 744.1841 2045.6968 1906.2040 116.0965 -205762.1151 17656.4020 0.0000 0.0000 34192.4220 -149101.1097 298.6109 -183293.5318 -149004.3017 299.8407 -127.7644 -96.0264 557234.7206 0.4930 0.5424 PRESSURE: 407600 13.7766 -67.6367 -168.582 -67.6381 -167.893 -104.482 -168.581 -104.48 -259.869 GPRESSURE: 407600 17.0959 -88.6655 -196.906 -108.733 -155.221 -105.453 -163.933 -80.6598 -180.083 PRESSAVG: 407600 -24.5299 -12.8757 -60.2217 -12.8757 -39.7119 0.948512 -60.2217 0.948573 44.613 GPRESSAVG: 407600 -24.206 -11.2593 -56.3405 -12.7316 -40.3334 0.63307 -62.6297 1.39501 45.3501 TIMING: 407600 CPU: 1215.49, 0.00295414/step Wall: 1215.49, 0.00295414/step, 3.7685 hours remaining, 207.292969 MB of memory in use. ENERGY: 407600 729.4447 2075.7597 1925.6364 113.1505 -205806.3444 17435.6902 0.0000 0.0000 34522.5559 -149004.1071 301.4941 -183526.6630 -148902.6922 299.9451 -137.9954 -106.0693 556756.5538 -6.5429 -6.3964 PRESSURE: 407800 107.036 19.1177 235.679 19.1173 53.5583 -280.134 235.68 -280.134 25.9451 GPRESSURE: 407800 107.551 -52.1883 234.913 45.164 87.5319 -249.068 279.186 -287.708 90.4266 PRESSAVG: 407800 51.8324 26.3482 37.204 26.3483 -60.5393 -18.1317 37.2041 -18.1316 31.231 GPRESSAVG: 407800 51.4841 27.0982 34.9328 24.54 -60.8561 -14.5241 38.8927 -20.3522 32.3794 TIMING: 407800 CPU: 1216.09, 0.00299318/step Wall: 1216.09, 0.00299318/step, 3.81813 hours remaining, 207.292969 MB of memory in use. ENERGY: 407800 731.7099 2119.4840 1933.0425 107.9007 -206062.1743 17750.0591 0.0000 0.0000 34348.3615 -149071.6166 299.9728 -183419.9781 -148982.6687 299.6216 62.1798 95.1697 555491.7028 7.5080 7.6691 PRESSURE: 408000 32.6301 57.2092 202.456 57.2079 -97.0434 16.58 202.457 16.5794 96.2579 GPRESSURE: 408000 90.9025 96.0758 195.221 22.4418 -42.1742 13.4211 221.163 -4.44172 79.1335 PRESSAVG: 408000 50.237 54.5447 8.95848 54.5448 -36.378 -7.01232 8.95844 -7.01223 -1.10497 GPRESSAVG: 408000 50.9809 53.5036 7.70602 55.5329 -35.2364 -10.3504 10.2158 -7.52481 -1.999 TIMING: 408000 CPU: 1216.68, 0.0029696/step Wall: 1216.68, 0.0029696/step, 3.78789 hours remaining, 207.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 408000 739.5013 2084.3463 1929.0765 117.5079 -206225.2995 17829.5799 0.0000 0.0000 34368.0286 -149157.2591 300.1445 -183525.2877 -149072.1328 299.1249 10.6148 42.6206 557584.6719 4.2514 4.5818 PRESSURE: 408200 87.7249 42.4564 74.2165 42.4562 195.675 -256.928 74.2173 -256.927 111.064 GPRESSURE: 408200 149.933 106.021 29.9998 -90.6956 225.268 -268.444 88.5821 -306.149 113.712 PRESSAVG: 408200 -21.2761 32.7394 66.1908 32.7395 71.9871 -45.767 66.1909 -45.7671 -42.1095 GPRESSAVG: 408200 -21.3743 32.2854 68.9238 33.0521 71.9582 -43.6945 64.4022 -44.6461 -41.8245 TIMING: 408200 CPU: 1217.28, 0.00296671/step Wall: 1217.28, 0.00296671/step, 3.78403 hours remaining, 207.292969 MB of memory in use. ENERGY: 408200 709.3074 2075.5071 1933.6679 113.0840 -206237.4244 17898.9891 0.0000 0.0000 34464.9011 -149041.9678 300.9906 -183506.8689 -148938.5542 299.5348 131.4879 162.9712 556772.3396 2.8672 2.9198 LDB: ============= START OF LOAD BALANCING ============== 1220.82 LDB: ============== END OF LOAD BALANCING =============== 1220.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1220.83 LDB: ============= START OF LOAD BALANCING ============== 1221.12 LDB: Largest compute 4796 load 0.028674 is 24.3% of average load 0.118096 LDB: Average compute 0.001736 is 1.5% of average load 0.118096 LDB: TIME 1221.13 LOAD: AVG 0.118096 MAX 0.206197 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.578 MB LDB: TIME 1221.13 LOAD: AVG 0.118096 MAX 0.206197 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.637 MB LDB: TIME 1221.13 LOAD: AVG 0.118096 MAX 0.206197 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1221.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1221.13 PRESSURE: 408400 -181.855 -64.9898 -105.763 -64.9895 -70.8217 -44.4624 -105.762 -44.4622 -123.806 GPRESSURE: 408400 -156.524 -73.7613 -68.8402 8.02378 -71.4016 -67.0198 -106.584 96.8451 -51.6379 PRESSAVG: 408400 -40.9155 39.0576 32.0942 39.0575 25.8728 -14.5609 32.0941 -14.5608 9.76913 GPRESSAVG: 408400 -39.4683 38.5726 30.9851 40.0913 25.1813 -16.1573 32.0743 -13.7795 10.4443 TIMING: 408400 CPU: 1217.88, 0.00303056/step Wall: 1217.88, 0.00303056/step, 3.86531 hours remaining, 207.089844 MB of memory in use. ENERGY: 408400 748.3869 2128.3995 1953.1361 109.7660 -206225.5159 17715.3984 0.0000 0.0000 34489.0328 -149081.3962 301.2013 -183570.4290 -148980.7417 300.3805 -125.4945 -93.1877 559444.3974 -1.7579 -1.2809 PRESSURE: 408600 -151.72 107.948 -161.416 107.949 -163.774 -174.071 -161.415 -174.071 198.946 GPRESSURE: 408600 -95.4932 -0.639081 -214.946 140.286 -150.493 -161.118 -66.3643 -161.825 220.643 PRESSAVG: 408600 10.8999 24.4027 -37.2684 24.4027 -67.9377 -2.03367 -37.2684 -2.0337 64.9291 GPRESSAVG: 408600 11.3937 26.4437 -36.9205 22.8543 -67.5828 -1.42027 -37.3544 -1.23198 64.1828 TIMING: 408600 CPU: 1218.48, 0.00296596/step Wall: 1218.48, 0.00296596/step, 3.78275 hours remaining, 207.289062 MB of memory in use. ENERGY: 408600 759.8994 2116.7615 1951.7455 106.0934 -206342.3246 17796.8628 0.0000 0.0000 34378.9370 -149232.0251 300.2398 -183610.9620 -149131.6154 300.3497 -38.8495 -8.4477 557443.9477 2.6304 2.6646 PRESSURE: 408800 -41.0124 -48.6727 54.2823 -48.6725 -87.4277 -27.4126 54.2832 -27.4136 -67.6144 GPRESSURE: 408800 -40.0154 -101.417 -24.6337 -39.3599 21.6745 -43.3292 124.901 18.1676 -76.7446 PRESSAVG: 408800 70.0065 22.3793 28.4792 22.3793 4.92561 -28.5926 28.4792 -28.5925 -76.631 GPRESSAVG: 408800 68.1163 21.0049 28.1484 24.2079 6.66108 -29.5255 29.8946 -30.7128 -76.3532 TIMING: 408800 CPU: 1219.07, 0.00295733/step Wall: 1219.07, 0.00295733/step, 3.77158 hours remaining, 207.289062 MB of memory in use. ENERGY: 408800 731.8637 2117.9700 1945.6963 110.6740 -206035.0986 17596.5728 0.0000 0.0000 34346.6841 -149185.6378 299.9581 -183532.3218 -149090.9721 299.2521 -65.3515 -31.6952 557540.5352 -0.5663 -0.5252 PRESSURE: 409000 -107.163 20.512 -97.5851 20.5129 -277.819 106.89 -97.585 106.888 46.6765 GPRESSURE: 409000 -92.5745 -5.87562 -62.3681 -4.43907 -164.051 150.033 -21.5906 64.99 14.2159 PRESSAVG: 409000 -7.63208 -29.666 8.09903 -29.6662 10.8801 21.1154 8.09909 21.1152 -19.7824 GPRESSAVG: 409000 -7.29897 -29.6516 8.94533 -30.8544 9.67069 21.0679 4.8492 20.3482 -19.2683 TIMING: 409000 CPU: 1219.66, 0.00294301/step Wall: 1219.66, 0.00294301/step, 3.75315 hours remaining, 207.289062 MB of memory in use. ENERGY: 409000 744.7276 2157.9105 1950.3514 106.5823 -206111.3447 17533.7110 0.0000 0.0000 34362.8905 -149255.1714 300.0997 -183618.0619 -149158.1526 299.9697 -112.7685 -80.8033 558303.9330 -5.5114 -5.6322 PRESSURE: 409200 -119.973 28.676 -18.111 28.6759 -124.03 -13.1739 -18.1111 -13.1728 -112.418 GPRESSURE: 409200 -131.201 56.0894 -35.3958 37.3004 -95.5039 36.3798 2.73765 -23.5615 -33.794 PRESSAVG: 409200 -17.2004 11.3805 -15.3209 11.3805 -13.0456 1.41179 -15.321 1.41189 6.10881 GPRESSAVG: 409200 -17.3314 10.9747 -18.5658 11.7889 -12.6243 2.12594 -12.4707 2.50019 5.41748 TIMING: 409200 CPU: 1220.25, 0.00294455/step Wall: 1220.25, 0.00294455/step, 3.75495 hours remaining, 207.289062 MB of memory in use. ENERGY: 409200 717.4982 2154.1333 1929.8630 118.2568 -205854.2750 17705.5152 0.0000 0.0000 34050.7824 -149178.2260 297.3740 -183229.0085 -149087.7662 299.3526 -118.8071 -86.8330 558450.6162 -8.0457 -8.1794 PRESSURE: 409400 97.1225 -25.8771 -158.221 -25.8777 -55.8872 91.0803 -158.223 91.08 208.64 GPRESSURE: 409400 154.133 -44.455 -47.7453 2.74053 11.9443 99.9353 -177.393 45.8842 172.371 PRESSAVG: 409400 -46.2091 -12.4188 -8.94789 -12.4188 30.812 -41.8873 -8.94795 -41.8873 58.8295 GPRESSAVG: 409400 -46.0181 -11.5718 -5.14859 -13.7063 30.7195 -41.55 -10.8314 -41.8523 58.8607 TIMING: 409400 CPU: 1220.84, 0.00295464/step Wall: 1220.84, 0.00295464/step, 3.76766 hours remaining, 207.289062 MB of memory in use. ENERGY: 409400 727.0818 2124.9982 1913.8453 108.9412 -206467.9468 18109.1992 0.0000 0.0000 34289.4052 -149194.4760 299.4579 -183483.8812 -149100.5929 299.4762 83.2919 112.8163 558727.6309 14.4775 14.5207 PRESSURE: 409600 172.693 18.3936 6.82958 18.3948 -323.834 -99.3332 6.82992 -99.3338 -135.255 GPRESSURE: 409600 234.663 47.9499 -17.7541 66.0019 -278.282 -44.9642 55.0467 -216.813 -135.238 PRESSAVG: 409600 16.7165 -41.3707 -36.0536 -41.3706 -14.768 -32.1757 -36.0535 -32.1757 -25.812 GPRESSAVG: 409600 16.4883 -44.659 -38.4126 -39.8936 -14.9629 -32.0277 -33.8486 -32.3249 -25.4716 TIMING: 409600 CPU: 1221.43, 0.00295042/step Wall: 1221.43, 0.00295042/step, 3.76211 hours remaining, 207.289062 MB of memory in use. ENERGY: 409600 783.3451 2078.4271 1913.0928 97.0878 -206224.1300 17894.9727 0.0000 0.0000 34287.8843 -149169.3201 299.4446 -183457.2044 -149074.5208 299.3015 -95.4652 -59.6191 560956.7985 -7.9545 -7.9821 PRESSURE: 409800 91.5814 4.46262 3.90083 4.4629 -127.44 55.7874 3.90007 55.7877 -67.6172 GPRESSURE: 409800 152.76 -26.2372 -39.4286 24.5321 -131.615 1.7708 82.1544 94.7651 -29.254 PRESSAVG: 409800 106.099 -17.4155 -58.8897 -17.4155 -82.1294 -22.5855 -58.8897 -22.5854 -6.4451 GPRESSAVG: 409800 106.887 -15.1642 -59.0397 -17.7256 -81.7979 -23.1914 -57.9446 -22.6607 -7.77572 TIMING: 409800 CPU: 1222.02, 0.00296489/step Wall: 1222.02, 0.00296489/step, 3.7804 hours remaining, 207.289062 MB of memory in use. ENERGY: 409800 766.8141 2064.8626 1909.0613 104.6503 -206168.4871 17708.1838 0.0000 0.0000 34414.4680 -149200.4469 300.5501 -183614.9149 -149105.5340 299.6546 -34.4920 -2.7028 558388.6130 5.8415 5.7710 PRESSURE: 410000 -330.464 6.57489 28.736 6.57544 -132.069 -76.0106 28.7349 -76.0103 -187.238 GPRESSURE: 410000 -366.014 -35.5321 30.3028 27.0464 -61.9433 -130.915 48.9743 -48.9593 -126.22 PRESSAVG: 410000 44.1858 -69.4514 15.856 -69.4514 -58.5213 -27.5442 15.8559 -27.5443 -11.6395 GPRESSAVG: 410000 43.0182 -70.6028 17.3554 -69.9362 -58.2707 -27.7826 13.8138 -28.235 -11.3262 TIMING: 410000 CPU: 1222.61, 0.00295766/step Wall: 1222.61, 0.00295766/step, 3.77102 hours remaining, 207.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 410000 785.1572 2086.1549 1937.8189 109.8679 -205972.6483 17584.4345 0.0000 0.0000 34206.7914 -149262.4236 298.7364 -183469.2150 -149163.3716 298.5720 -216.5903 -184.7260 558376.1510 -8.6583 -8.8596 PRESSURE: 410200 -240.503 -123.899 0.0244168 -123.9 -83.7746 187.403 0.0243795 187.403 -233.501 GPRESSURE: 410200 -152.133 -82.0116 -70.2915 -170.444 -140.3 117.524 101.755 209.189 -176.093 PRESSAVG: 410200 -11.3427 -62.2323 38.756 -62.2324 -68.6613 -18.7915 38.756 -18.7915 21.3019 GPRESSAVG: 410200 -11.4659 -61.7928 37.2267 -62.3016 -70.1659 -17.7211 38.1682 -18.2384 22.3639 TIMING: 410200 CPU: 1223.21, 0.00297055/step Wall: 1223.21, 0.00297055/step, 3.78729 hours remaining, 207.289062 MB of memory in use. ENERGY: 410200 789.9889 2065.6734 1927.5834 112.5274 -206067.6412 17766.1153 0.0000 0.0000 34184.4270 -149221.3259 298.5411 -183405.7528 -149127.9448 298.9803 -185.9262 -156.1754 558945.0486 -19.5674 -19.7560 PRESSURE: 410400 74.0472 37.7236 99.9312 37.7233 -177.541 6.59147 99.9319 6.59186 -64.0953 GPRESSURE: 410400 96.9274 -60.947 156.929 3.56136 -69.4333 -8.20838 14.0924 -20.174 -101.932 PRESSAVG: 410400 37.0299 20.5977 -13.4447 20.5976 -55.1277 15.4329 -13.4447 15.4331 -12.5194 GPRESSAVG: 410400 36.8345 20.5637 -12.2136 22.5075 -55.3504 14.1166 -14.2854 16.643 -12.6039 TIMING: 410400 CPU: 1223.8, 0.00298038/step Wall: 1223.8, 0.00298038/step, 3.79965 hours remaining, 207.289062 MB of memory in use. ENERGY: 410400 743.3392 2041.4101 1931.8161 106.0994 -206121.4709 17775.2785 0.0000 0.0000 34349.4343 -149174.0934 299.9822 -183523.5276 -149079.8268 299.3916 -55.8631 -24.8126 557736.2837 -10.2057 -10.3733 PRESSURE: 410600 -218.697 -104.683 57.6335 -104.683 -205.517 50.4809 57.6329 50.4802 214.12 GPRESSURE: 410600 -106.506 -98.3637 44.8365 -93.5615 -209.327 51.624 21.2019 103.887 196.198 PRESSAVG: 410600 29.0377 7.98545 -33.0791 7.98543 -51.8548 -48.196 -33.0791 -48.196 8.12082 GPRESSAVG: 410600 28.7104 9.91186 -32.946 4.8543 -50.8197 -47.2074 -33.2199 -47.7248 7.28401 TIMING: 410600 CPU: 1224.39, 0.00296243/step Wall: 1224.39, 0.00296243/step, 3.7766 hours remaining, 207.289062 MB of memory in use. ENERGY: 410600 777.1599 2048.4668 1945.2880 121.7776 -205971.9578 17679.3483 0.0000 0.0000 34339.4404 -149060.4768 299.8949 -183399.9171 -148963.9062 299.5549 -70.0312 -39.8782 556674.4953 -4.8988 -4.9418 PRESSURE: 410800 -226.663 1.57399 145.954 1.5736 -24.25 -18.6947 145.955 -18.6961 82.7575 GPRESSURE: 410800 -242.404 -14.7048 137.474 -3.78614 56.2938 -4.90869 131.976 9.13374 117.841 PRESSAVG: 410800 -25.3536 -3.89894 -19.5003 -3.89901 -1.37138 26.1805 -19.5003 26.1807 68.0602 GPRESSAVG: 410800 -24.7504 -4.85679 -19.3143 -2.54136 -2.37566 25.2887 -18.5378 24.7878 68.6208 TIMING: 410800 CPU: 1224.98, 0.00293628/step Wall: 1224.98, 0.00293628/step, 3.7431 hours remaining, 207.289062 MB of memory in use. ENERGY: 410800 772.9262 2095.7222 1928.0038 112.8394 -206418.8220 17970.6442 0.0000 0.0000 34607.4809 -148931.2053 302.2357 -183538.6862 -148835.2994 300.2985 -56.0519 -22.7563 556950.2984 13.7784 13.8316 PRESSURE: 411000 -162.796 -31.1106 34.8305 -31.11 9.96031 -22.0372 34.8308 -22.0382 7.31385 GPRESSURE: 411000 -125.044 -23.7763 52.827 -47.608 46.9861 -8.64614 46.8973 -6.93609 30.486 PRESSAVG: 411000 -58.7978 -3.69279 -13.4331 -3.69285 4.33012 -24.0642 -13.433 -24.0642 53.5642 GPRESSAVG: 411000 -60.2856 -5.19769 -13.0571 -3.15305 5.42159 -22.5227 -12.8251 -23.8215 53.7826 TIMING: 411000 CPU: 1225.57, 0.00296181/step Wall: 1225.57, 0.00296181/step, 3.77549 hours remaining, 207.289062 MB of memory in use. ENERGY: 411000 746.6585 2114.4712 1964.7235 124.8875 -205958.1573 17765.4383 0.0000 0.0000 34427.0103 -148814.9681 300.6596 -183241.9783 -148716.4952 300.9223 -48.5071 -15.8575 557950.3402 -0.3011 -0.3605 PRESSURE: 411200 -143.465 -88.6305 33.81 -88.6312 59.9654 30.5527 33.8102 30.5534 20.675 GPRESSURE: 411200 -88.3351 -110.544 14.4334 -125.748 104.693 52.8253 -9.75479 87.829 39.3128 PRESSAVG: 411200 8.68833 -9.91057 -39.821 -9.91054 19.3078 12.2518 -39.821 12.2518 10.2093 GPRESSAVG: 411200 9.10521 -8.20442 -38.2277 -8.95629 18.9267 12.5663 -43.9788 10.7698 10.1742 TIMING: 411200 CPU: 1226.17, 0.00297151/step Wall: 1226.17, 0.00297151/step, 3.78768 hours remaining, 207.289062 MB of memory in use. ENERGY: 411200 743.5230 2135.9334 1961.1353 117.7009 -206233.9914 17987.2672 0.0000 0.0000 34518.9986 -148769.4331 301.4630 -183288.4318 -148679.6439 300.3548 -20.9415 18.5567 556863.0225 12.7351 12.7354 PRESSURE: 411400 -9.7083 39.2936 113.953 39.2939 56.1943 -43.6595 113.952 -43.6623 -154.311 GPRESSURE: 411400 -18.0407 33.7976 -4.85222 16.3221 129.05 37.2823 134.659 -102.931 -114.667 PRESSAVG: 411400 -3.17641 10.0112 1.47413 10.0113 -1.97499 5.04135 1.47405 5.04135 -9.1074 GPRESSAVG: 411400 -2.36195 8.64046 -1.55055 9.37526 -2.25038 5.24713 4.076 5.60934 -9.3709 TIMING: 411400 CPU: 1226.76, 0.00296174/step Wall: 1226.76, 0.00296174/step, 3.77507 hours remaining, 207.289062 MB of memory in use. ENERGY: 411400 766.9663 2130.3328 1921.1356 108.9513 -205874.4903 17734.7233 0.0000 0.0000 34389.8819 -148822.4992 300.3354 -183212.3810 -148723.9161 300.2199 -35.9416 -1.2190 557249.8887 -4.7529 -4.6611 PRESSURE: 411600 0.514188 -48.9054 96.8185 -48.9053 -0.0568526 -66.4065 96.8189 -66.4047 -94.1006 GPRESSURE: 411600 52.8854 -51.6562 115.037 -56.0666 14.8304 4.25688 79.0914 -71.0316 -73.8892 PRESSAVG: 411600 46.0964 -12.9952 -10.5238 -12.9951 12.0777 -7.44422 -10.524 -7.44431 -38.4734 GPRESSAVG: 411600 46.28 -12.1622 -9.01743 -13.6637 13.2042 -10.0799 -10.7655 -5.94971 -38.9955 TIMING: 411600 CPU: 1227.35, 0.0029665/step Wall: 1227.35, 0.0029665/step, 3.78097 hours remaining, 207.289062 MB of memory in use. ENERGY: 411600 746.0702 2122.4056 1943.1009 116.2052 -206122.4192 17764.4494 0.0000 0.0000 34449.5896 -148980.5982 300.8568 -183430.1879 -148884.7240 300.2021 -31.2144 -2.0578 557796.4368 6.5669 6.8295 PRESSURE: 411800 -59.6236 -20.0294 -115.285 -20.03 -20.7434 10.0772 -115.284 10.0779 -119.378 GPRESSURE: 411800 37.9147 -19.0509 -53.5303 11.4538 -42.7807 -0.737867 -248.384 12.7342 -89.8668 PRESSAVG: 411800 -12.5725 -32.5521 55.8566 -32.5521 6.55727 -17.2044 55.8566 -17.2044 9.59684 GPRESSAVG: 411800 -13.4659 -33.1243 55.679 -31.3472 7.03963 -16.4604 54.9108 -19.534 9.86407 TIMING: 411800 CPU: 1227.95, 0.00297309/step Wall: 1227.95, 0.00297309/step, 3.7892 hours remaining, 207.289062 MB of memory in use. ENERGY: 411800 755.6085 2066.1256 1959.5606 119.4101 -205853.7383 17596.3598 0.0000 0.0000 34303.2346 -149053.4391 299.5787 -183356.6737 -148959.5722 299.4595 -66.5817 -31.5776 557211.3949 1.1939 1.1459 PRESSURE: 412000 -207.842 -108.113 -45.9621 -108.113 -271.917 -35.9108 -45.9623 -35.9124 -380.075 GPRESSURE: 412000 -202.274 -179.312 -69.1581 -142.189 -208.869 -41.8754 94.6609 3.87065 -351.661 PRESSAVG: 412000 26.456 -30.7449 33.1721 -30.7448 15.8472 -17.262 33.1722 -17.262 -6.66746 GPRESSAVG: 412000 26.7348 -29.9251 31.7728 -30.7582 15.2083 -16.334 35.6017 -17.9599 -6.16457 TIMING: 412000 CPU: 1228.55, 0.00299611/step Wall: 1228.55, 0.00299611/step, 3.81837 hours remaining, 207.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 412000 745.8487 2060.2183 1950.4246 108.6680 -205303.4414 17223.6707 0.0000 0.0000 34163.1702 -149051.4408 298.3555 -183214.6110 -148949.5049 300.2568 -286.6112 -254.2679 558557.6048 11.8786 11.9262 PRESSURE: 412200 205.426 185.403 187.958 185.403 -68.8018 50.2606 187.958 50.2606 172.411 GPRESSURE: 412200 214.8 208.836 178.77 184.265 26.9462 55.5767 147.802 31.1759 163.216 PRESSAVG: 412200 67.3561 -9.5527 -6.9095 -9.55269 -9.10188 4.95813 -6.90947 4.95807 -34.9837 GPRESSAVG: 412200 66.9251 -8.25302 -7.54022 -10.1535 -8.8787 5.10121 -7.27929 4.73654 -34.5705 TIMING: 412200 CPU: 1229.14, 0.00297444/step Wall: 1229.14, 0.00297444/step, 3.79059 hours remaining, 207.289062 MB of memory in use. ENERGY: 412200 742.0577 2123.9811 1955.1526 105.3543 -206622.0314 18170.4595 0.0000 0.0000 34399.4077 -149125.6185 300.4186 -183525.0262 -149033.0990 300.1299 103.0117 134.9874 556235.6824 7.7568 7.8253 LDB: ============= START OF LOAD BALANCING ============== 1232.69 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1232.69 LDB: =============== DONE WITH MIGRATION ================ 1232.69 LDB: ============= START OF LOAD BALANCING ============== 1232.98 LDB: Largest compute 4796 load 0.027914 is 23.7% of average load 0.118008 LDB: Average compute 0.001744 is 1.5% of average load 0.118008 LDB: TIME 1232.99 LOAD: AVG 0.118008 MAX 0.203355 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.578 MB LDB: TIME 1232.99 LOAD: AVG 0.118008 MAX 0.203355 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.582 MB LDB: TIME 1232.99 LOAD: AVG 0.118008 MAX 0.203355 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.582 MB LDB: ============== END OF LOAD BALANCING =============== 1232.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1232.99 PRESSURE: 412400 -189.97 136.343 -50.7066 136.343 -204.612 104.987 -50.7069 104.986 -319.632 GPRESSURE: 412400 -141.135 212.94 -88.397 96.1691 -166.861 81.8357 -95.6528 122.061 -297.642 PRESSAVG: 412400 93.3156 -3.61048 -28.2933 -3.61046 -22.7673 28.1395 -28.2933 28.1396 -112.789 GPRESSAVG: 412400 94.0056 -3.29716 -28.0488 -4.12546 -23.3243 27.9187 -28.8312 30.5402 -112.602 TIMING: 412400 CPU: 1229.74, 0.00300658/step Wall: 1229.74, 0.00300658/step, 3.83139 hours remaining, 207.089844 MB of memory in use. ENERGY: 412400 744.3713 2115.0166 1944.0045 130.3632 -205836.2846 17424.3024 0.0000 0.0000 34337.6669 -149140.5597 299.8794 -183478.2266 -149041.9041 299.8469 -238.0715 -201.8793 558344.6202 -14.0803 -13.9734 PRESSURE: 412600 129.837 -35.1442 -43.1553 -35.1439 162.267 -79.7557 -43.1555 -79.7554 -84.2591 GPRESSURE: 412600 172.689 18.0354 -123.727 -34.2781 151.494 -146.735 33.1047 -132.247 -33.6732 PRESSAVG: 412600 -12.7105 1.40599 -67.5321 1.40589 35.8673 -35.742 -67.5321 -35.7419 -40.7174 GPRESSAVG: 412600 -12.3354 -0.213746 -66.3624 1.27956 36.0575 -35.9118 -65.9571 -37.7477 -41.2735 TIMING: 412600 CPU: 1230.34, 0.0029631/step Wall: 1230.34, 0.0029631/step, 3.77582 hours remaining, 207.089844 MB of memory in use. ENERGY: 412600 730.8075 2120.1251 1939.7629 108.6040 -206110.4997 17928.8796 0.0000 0.0000 34304.0408 -148978.2798 299.5857 -183282.3206 -148884.8932 299.9334 69.2816 96.8365 557875.1671 -5.8535 -5.8505 PRESSURE: 412800 -67.004 70.4732 48.6213 70.4736 32.7803 6.63195 48.6211 6.63224 -196.055 GPRESSURE: 412800 3.23048 78.2701 60.2427 56.7495 12.4973 42.3486 53.1424 -64.3618 -155.467 PRESSAVG: 412800 15.0872 3.94547 16.338 3.94537 -11.8934 -5.98103 16.338 -5.98107 22.6684 GPRESSAVG: 412800 14.6839 2.47081 14.8675 2.98339 -12.4648 -8.05031 15.0395 -4.71832 22.9904 TIMING: 412800 CPU: 1230.93, 0.00297224/step Wall: 1230.93, 0.00297224/step, 3.7873 hours remaining, 207.089844 MB of memory in use. ENERGY: 412800 730.3005 2110.2225 1931.2741 107.2934 -205885.9217 17486.0195 0.0000 0.0000 34555.5366 -148965.2751 301.7821 -183520.8117 -148868.8030 299.9544 -76.7597 -46.5797 558547.2564 8.6208 8.4032 PRESSURE: 413000 -160.662 -143.082 -9.07837 -143.083 -216.8 -70.3365 -9.08002 -70.3375 -296.332 GPRESSURE: 413000 -98.1039 -177.999 -28.3185 -124.459 -187.188 -65.2929 78.9447 10.4497 -280.047 PRESSAVG: 413000 43.2418 -10.3677 33.7785 -10.3677 2.98558 41.5796 33.7784 41.5795 -41.7776 GPRESSAVG: 413000 44.2514 -9.27209 34.3917 -8.33927 3.36181 42.1206 33.9316 43.5419 -42.9043 TIMING: 413000 CPU: 1231.52, 0.00296116/step Wall: 1231.52, 0.00296116/step, 3.77301 hours remaining, 207.089844 MB of memory in use. ENERGY: 413000 775.5715 2101.0416 1926.9423 113.9436 -205704.2068 17479.6980 0.0000 0.0000 34271.4535 -149035.5563 299.3011 -183307.0098 -148937.1311 299.9720 -224.5977 -188.4463 558822.2769 1.4833 1.5696 PRESSURE: 413200 -76.2534 5.09383 -19.9832 5.0938 -46.5383 -40.3697 -19.9833 -40.3709 -215.526 GPRESSURE: 413200 -30.5607 -10.4346 10.7294 22.4642 -36.9824 -121.37 -57.6471 7.38439 -164.333 PRESSAVG: 413200 -21.4055 29.1047 -40.6435 29.1048 -28.2799 30.0868 -40.6434 30.0868 3.29806 GPRESSAVG: 413200 -21.5271 30.241 -40.5313 28.2049 -29.2204 32.04 -40.0508 27.0868 4.54265 TIMING: 413200 CPU: 1232.12, 0.00298557/step Wall: 1232.12, 0.00298557/step, 3.80394 hours remaining, 207.089844 MB of memory in use. ENERGY: 413200 757.2425 2063.8407 1946.5467 108.9063 -206187.4233 17639.3687 0.0000 0.0000 34497.1347 -149174.3836 301.2721 -183671.5184 -149074.4807 299.6557 -112.7727 -77.2921 555933.1703 -15.4624 -15.4016 PRESSURE: 413400 49.8889 -195.392 -329.765 -195.391 5.54899 156.529 -329.764 156.53 28.3675 GPRESSURE: 413400 42.3277 -235.212 -301.667 -176.51 66.5344 178.958 -345.84 144.239 61.3517 PRESSAVG: 413400 44.3407 31.1727 -33.6538 31.1728 -44.0787 12.0131 -33.6538 12.0132 -19.876 GPRESSAVG: 413400 44.2953 30.6772 -33.7495 29.6825 -43.5857 9.84026 -32.8245 12.7428 -20.7103 TIMING: 413400 CPU: 1232.71, 0.00296285/step Wall: 1232.71, 0.00296285/step, 3.77483 hours remaining, 207.089844 MB of memory in use. ENERGY: 413400 752.9316 2123.4057 1915.1157 101.5917 -205929.1255 17924.1533 0.0000 0.0000 33946.5901 -149165.3374 296.4640 -183111.9275 -149073.4166 299.5071 27.9352 56.7379 557555.6396 -6.5380 -6.6669 PRESSURE: 413600 203.215 63.3363 199.355 63.3372 244.639 12.4483 199.354 12.4477 101.702 GPRESSURE: 413600 273.309 76.4385 144.149 -8.12974 229.291 70.2788 273.074 -25.4621 146.055 PRESSAVG: 413600 30.7243 7.46307 -11.0417 7.46304 9.53509 15.0229 -11.0417 15.0228 1.38406 GPRESSAVG: 413600 31.1693 6.67599 -10.5965 7.81806 9.00952 16.9335 -10.1596 12.8919 1.34855 TIMING: 413600 CPU: 1233.3, 0.00293862/step Wall: 1233.3, 0.00293862/step, 3.74381 hours remaining, 207.089844 MB of memory in use. ENERGY: 413600 733.5520 2109.6903 1911.0208 105.1054 -206158.5309 18044.8144 0.0000 0.0000 34182.2553 -149072.0928 298.5221 -183254.3481 -148968.9988 299.2372 183.1854 216.2184 556790.7034 13.8812 13.8425 PRESSURE: 413800 56.5742 34.0457 -60.1288 34.045 163.533 157.043 -60.1285 157.044 189.744 GPRESSURE: 413800 120.283 44.9323 -15.3979 31.8467 146.881 111.478 -23.5128 113.354 235.66 PRESSAVG: 413800 46.7991 55.8103 38.8229 55.8104 -7.65394 4.04174 38.8229 4.04185 -35.2194 GPRESSAVG: 413800 45.3662 55.4561 38.8365 57.0641 -6.52218 3.197 39.2674 6.87009 -35.3039 TIMING: 413800 CPU: 1233.89, 0.00293784/step Wall: 1233.89, 0.00293784/step, 3.74265 hours remaining, 207.089844 MB of memory in use. ENERGY: 413800 726.9817 2047.8301 1955.9894 107.5516 -206367.8099 17956.4184 0.0000 0.0000 34339.8845 -149233.1543 299.8988 -183573.0388 -149131.2067 299.5951 136.6171 167.6077 556013.8961 1.3086 1.1800 PRESSURE: 414000 -88.3893 -37.5411 -139.296 -37.5415 -194.434 34.6477 -139.297 34.647 -185.149 GPRESSURE: 414000 -37.0589 71.619 -139.211 -89.5765 -239.306 -20.5999 -112.487 73.2095 -104.017 PRESSAVG: 414000 45.8979 8.08643 -34.5003 8.08631 3.38457 8.55804 -34.5002 8.5579 -22.4744 GPRESSAVG: 414000 46.3122 7.81245 -33.1548 9.76685 1.89154 7.98044 -39.0209 7.46081 -21.3738 TIMING: 414000 CPU: 1234.48, 0.0029626/step Wall: 1234.48, 0.0029626/step, 3.77402 hours remaining, 207.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 414000 739.5905 2109.7910 1923.5961 116.0752 -205673.5392 17467.1443 0.0000 0.0000 34229.3199 -149088.0220 298.9332 -183317.3420 -148993.6958 299.5056 -155.9907 -126.7939 556388.8594 8.9360 8.9433 PRESSURE: 414200 121.24 -16.0464 67.6827 -16.0464 84.7418 -62.4625 67.6825 -62.463 -236.268 GPRESSURE: 414200 180.424 25.6952 43.5535 -3.65697 101.871 -92.3971 84.3293 11.7064 -204.641 PRESSAVG: 414200 60.3737 21.5295 -13.3904 21.5296 26.9963 30.4386 -13.3905 30.4386 -35.4986 GPRESSAVG: 414200 60.874 22.0112 -15.628 20.7074 28.1787 31.8244 -10.558 31.6623 -36.87 TIMING: 414200 CPU: 1235.07, 0.00297005/step Wall: 1235.07, 0.00297005/step, 3.78335 hours remaining, 207.089844 MB of memory in use. ENERGY: 414200 733.1696 2060.5729 1936.7911 124.1594 -206150.3953 17724.2293 0.0000 0.0000 34383.2684 -149188.2046 300.2776 -183571.4730 -149090.4591 299.7102 -10.0955 25.8848 557606.5616 17.2905 17.3942 PRESSURE: 414400 53.7649 99.7053 -101.512 99.705 224.219 10.3965 -101.513 10.3965 -142.014 GPRESSURE: 414400 68.2481 184.36 -25.3228 23.4488 319.142 -13.6696 -114.952 21.9551 -152.245 PRESSAVG: 414400 -25.3208 -73.2328 -64.1183 -73.2329 13.3607 35.8473 -64.1184 35.8474 -20.5153 GPRESSAVG: 414400 -25.2534 -71.6496 -62.5375 -76.3229 12.764 37.1942 -64.6918 34.2369 -19.4281 TIMING: 414400 CPU: 1235.66, 0.00294827/step Wall: 1235.66, 0.00294827/step, 3.75545 hours remaining, 207.089844 MB of memory in use. ENERGY: 414400 754.8859 2109.8913 1930.8738 113.4487 -206289.8988 17969.0747 0.0000 0.0000 34163.1132 -149248.6113 298.3550 -183411.7245 -149151.0939 299.9166 45.3233 78.3818 556458.9394 -10.8251 -10.6392 PRESSURE: 414600 27.1355 7.71418 161.131 7.71417 -0.54798 -7.88582 161.131 -7.88693 -139.888 GPRESSURE: 414600 119.313 -31.4536 144.57 63.0507 -20.3356 61.7361 97.3438 -45.2297 -121.103 PRESSAVG: 414600 15.6258 37.3696 -32.5896 37.3697 -30.6024 6.44912 -32.5897 6.44904 10.0518 GPRESSAVG: 414600 15.9076 36.4033 -33.6864 40.8811 -30.9825 4.34457 -31.418 6.36264 9.84329 TIMING: 414600 CPU: 1236.26, 0.002979/step Wall: 1236.26, 0.002979/step, 3.79441 hours remaining, 207.089844 MB of memory in use. ENERGY: 414600 719.8442 2030.2240 1946.8124 110.0298 -206187.0215 17706.3698 0.0000 0.0000 34321.0485 -149352.6928 299.7343 -183673.7413 -149255.9818 299.1382 -37.7668 -7.3752 558072.4124 -1.6416 -1.7439 PRESSURE: 414800 394.772 14.6566 65.3073 14.6582 123.089 7.87778 65.3071 7.87901 -23.6178 GPRESSURE: 414800 493.738 32.5305 60.8713 -17.9942 154.584 39.3287 0.567944 -103.644 -70.5402 PRESSAVG: 414800 2.67524 -23.7711 46.4249 -23.7711 62.7438 8.36368 46.4249 8.36378 -31.0948 GPRESSAVG: 414800 2.22529 -22.245 48.5432 -26.9387 63.3214 7.60858 44.562 7.99468 -31.1467 TIMING: 414800 CPU: 1236.85, 0.00294861/step Wall: 1236.85, 0.00294861/step, 3.75555 hours remaining, 207.089844 MB of memory in use. ENERGY: 414800 740.6185 2066.7902 1915.2997 93.3666 -206458.9893 17917.2913 0.0000 0.0000 34357.5689 -149368.0542 300.0532 -183725.6231 -149276.4964 299.3134 164.7478 192.5938 555883.3969 11.4414 11.4667 PRESSURE: 415000 37.4023 14.8959 -38.9143 14.8966 66.1183 -10.6982 -38.9162 -10.6997 -80.2869 GPRESSURE: 415000 61.9785 -2.23943 -76.319 19.7117 152.099 57.7026 -69.6218 -51.3498 -85.7897 PRESSAVG: 415000 23.5792 -12.0522 -77.5269 -12.0522 -30.7449 -43.6304 -77.5269 -43.6304 3.31708 GPRESSAVG: 415000 24.1131 -14.2519 -79.0735 -10.588 -31.4127 -43.6045 -76.6475 -41.9972 3.48263 TIMING: 415000 CPU: 1237.44, 0.00296366/step Wall: 1237.44, 0.00296366/step, 3.77456 hours remaining, 207.089844 MB of memory in use. ENERGY: 415000 740.2283 2052.1393 1930.0699 95.2488 -206340.3743 17873.6650 0.0000 0.0000 34198.8182 -149450.2048 298.6668 -183649.0230 -149347.7013 298.6903 7.7446 42.7627 557427.5376 -1.2829 -1.2723 PRESSURE: 415200 56.6761 0.0995753 17.3392 0.0994652 -437.338 -23.5146 17.3388 -23.514 146.336 GPRESSURE: 415200 97.9434 70.3705 -41.6557 -34.558 -423.849 -19.4278 10.9833 37.3355 200.255 PRESSAVG: 415200 19.9306 -22.2375 38.5237 -22.2376 -6.52079 -39.3158 38.5235 -39.3159 15.5092 GPRESSAVG: 415200 19.7217 -23.1091 38.4221 -21.1782 -6.65573 -38.1125 38.0741 -42.0021 15.7717 TIMING: 415200 CPU: 1238.03, 0.00295545/step Wall: 1238.03, 0.00295545/step, 3.76393 hours remaining, 207.089844 MB of memory in use. ENERGY: 415200 724.7179 2083.5314 1935.3152 115.8372 -206288.4907 17667.0676 0.0000 0.0000 34277.1309 -149484.8905 299.3507 -183762.0214 -149398.4413 298.5901 -78.1086 -41.8835 556387.7080 9.6397 9.6126 PRESSURE: 415400 278.215 -162.267 -129.478 -162.268 162.248 15.029 -129.479 15.0277 39.5915 GPRESSURE: 415400 294.211 -109.351 -163.226 -123.295 220.879 47.5581 -184.9 -30.5607 77.4472 PRESSAVG: 415400 -12.9543 -76.6797 11.9936 -76.6797 -9.81407 21.6605 11.9936 21.6606 -3.52523 GPRESSAVG: 415400 -12.8898 -72.8362 10.5166 -80.786 -9.29321 19.9628 12.5192 24.5176 -4.2563 TIMING: 415400 CPU: 1238.62, 0.00295459/step Wall: 1238.62, 0.00295459/step, 3.76268 hours remaining, 207.089844 MB of memory in use. ENERGY: 415400 737.1916 2078.5893 1951.3752 102.2219 -206834.1673 18067.6054 0.0000 0.0000 34525.5132 -149371.6709 301.5199 -183897.1840 -149277.4041 299.1670 160.0184 197.5123 555748.2930 -8.7645 -8.8131 PRESSURE: 415600 80.0712 -16.2582 -36.5776 -16.2587 6.32819 12.5021 -36.5797 12.5048 -196.713 GPRESSURE: 415600 92.168 40.0982 -129.902 12.6429 40.7731 -50.8197 13.4765 42.5601 -147.76 PRESSAVG: 415600 -37.4432 -13.6123 -3.78076 -13.6122 4.25492 -29.8271 -3.78078 -29.827 40.8716 GPRESSAVG: 415600 -37.3679 -15.0259 -2.63835 -9.74666 4.88955 -31.5073 -2.71506 -28.8565 40.4902 TIMING: 415600 CPU: 1239.21, 0.00294638/step Wall: 1239.21, 0.00294638/step, 3.75205 hours remaining, 207.089844 MB of memory in use. ENERGY: 415600 754.9347 2074.1985 1930.5058 112.6377 -206690.9679 17957.4061 0.0000 0.0000 34267.3189 -149593.9662 299.2650 -183861.2851 -149496.5122 298.6438 -36.7712 -4.9396 555398.7404 2.5611 2.6706 PRESSURE: 415800 -165.013 -177.884 -9.58517 -177.883 -267.311 131.82 -9.5852 131.818 123.093 GPRESSURE: 415800 -98.2317 -118.33 14.1232 -151.471 -234.909 159.597 12.7985 124.577 108.23 PRESSAVG: 415800 0.283158 7.09015 32.7273 7.09015 11.0413 7.93692 32.7273 7.93699 26.6066 GPRESSAVG: 415800 -1.01439 4.05778 32.4259 8.5786 10.935 10.9899 31.8115 6.35259 27.0201 TIMING: 415800 CPU: 1239.81, 0.00297309/step Wall: 1239.81, 0.00297309/step, 3.7859 hours remaining, 207.089844 MB of memory in use. ENERGY: 415800 774.6887 2041.3260 1934.3597 111.5091 -206194.0332 17634.8382 0.0000 0.0000 34125.4258 -149571.8857 298.0258 -183697.3116 -149476.0469 298.7341 -103.0772 -74.9702 556115.8734 12.6437 12.3136 PRESSURE: 416000 -26.921 37.1608 -29.1332 37.161 58.3101 -143.06 -29.1331 -143.06 -21.2468 GPRESSURE: 416000 -35.3199 -38.5232 -1.26927 30.1912 94.0455 -55.413 -23.878 -135.101 33.2175 PRESSAVG: 416000 -15.2149 -13.7315 -17.6972 -13.7315 29.0809 -3.72544 -17.6973 -3.72556 12.7979 GPRESSAVG: 416000 -14.3815 -10.6095 -15.936 -16.0413 29.3529 -5.18231 -18.8748 -3.37546 11.8585 TIMING: 416000 CPU: 1240.4, 0.00297699/step Wall: 1240.4, 0.00297699/step, 3.7907 hours remaining, 207.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 416000 721.8279 2081.5207 1949.7019 103.2683 -206314.6267 17831.7399 0.0000 0.0000 34039.5607 -149587.0073 297.2759 -183626.5680 -149482.1605 298.0782 3.3808 30.6477 557354.9417 8.8880 8.9433 PRESSURE: 416200 71.5417 -38.1083 -125.942 -38.1078 -60.6188 148.051 -125.942 148.049 -67.5139 GPRESSURE: 416200 38.4322 -0.302973 -122.508 -126.269 -46.2544 79.4117 -110.94 230.512 39.5498 PRESSAVG: 416200 -10.3836 -2.03078 -6.74185 -2.03071 -34.7162 56.9942 -6.74183 56.9944 -12.3074 GPRESSAVG: 416200 -10.6015 -4.04178 -6.6643 -0.39028 -36.4917 59.2369 -6.46228 56.5165 -10.2795 TIMING: 416200 CPU: 1241, 0.00299631/step Wall: 1241, 0.00299631/step, 3.81514 hours remaining, 207.089844 MB of memory in use. ENERGY: 416200 724.3400 2068.4784 1927.0874 112.1122 -206325.0764 17836.8404 0.0000 0.0000 34105.4016 -149550.8163 297.8510 -183656.2179 -149451.9402 298.2935 -18.8636 10.5758 556760.5650 -19.1357 -19.1243 LDB: ============= START OF LOAD BALANCING ============== 1244.55 LDB: ============== END OF LOAD BALANCING =============== 1244.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1244.55 LDB: ============= START OF LOAD BALANCING ============== 1244.85 LDB: Largest compute 4795 load 0.027508 is 23.3% of average load 0.118011 LDB: Average compute 0.001745 is 1.5% of average load 0.118011 LDB: TIME 1244.85 LOAD: AVG 0.118011 MAX 0.203213 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.578 MB LDB: TIME 1244.85 LOAD: AVG 0.118011 MAX 0.203213 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.578 MB LDB: TIME 1244.85 LOAD: AVG 0.118011 MAX 0.203213 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1244.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1244.86 PRESSURE: 416400 -363.064 131.255 280.144 131.255 68.1313 44.3656 280.144 44.3663 -38.4214 GPRESSURE: 416400 -386.377 153.143 211.309 85.1594 159.749 82.3794 279.488 114.263 -9.45337 PRESSAVG: 416400 -47.5035 -3.68564 -6.25768 -3.68562 9.37487 47.0754 -6.25771 47.0754 23.2114 GPRESSAVG: 416400 -46.7942 -3.5299 -6.61572 -5.86555 10.432 47.7168 -5.15752 45.3421 21.5723 TIMING: 416400 CPU: 1241.61, 0.00303129/step Wall: 1241.61, 0.00303129/step, 3.85951 hours remaining, 209.144531 MB of memory in use. ENERGY: 416400 750.5629 2084.7868 1958.0340 114.3761 -206489.7301 17823.8468 0.0000 0.0000 34077.9610 -149680.1625 297.6113 -183758.1235 -149585.1124 298.4531 -111.1182 -78.6939 558224.8938 -4.9724 -4.9300 PRESSURE: 416600 -338.663 133.621 24.3404 133.622 -82.0437 -89.1748 24.342 -89.1762 45.2426 GPRESSURE: 416600 -277.72 123.974 15.537 58.4126 -62.6486 -152.674 44.9264 47.2622 73.634 PRESSAVG: 416600 -42.4748 13.9508 3.03794 13.9508 -8.16645 53.9154 3.03793 53.9154 85.1017 GPRESSAVG: 416600 -42.8564 12.7878 3.47718 13.6965 -7.72755 53.0137 4.56888 58.1291 84.6711 TIMING: 416600 CPU: 1242.2, 0.00296336/step Wall: 1242.2, 0.00296336/step, 3.77285 hours remaining, 209.347656 MB of memory in use. ENERGY: 416600 740.3964 2111.8924 1953.6010 109.7038 -206314.6300 17689.2141 0.0000 0.0000 34220.1149 -149489.7074 298.8528 -183709.8223 -149391.7827 297.8385 -125.1549 -88.9115 558976.9737 11.4868 11.3624 PRESSURE: 416800 26.8672 -72.4558 16.107 -72.4551 248.62 104.32 16.1072 104.32 323.65 GPRESSURE: 416800 4.54377 -7.09584 -13.6799 22.9232 304.938 105.004 -13.3344 117.069 379.106 PRESSAVG: 416800 -23.3062 2.07886 27.9849 2.07896 17.7096 26.1475 27.9848 26.1474 -1.85388 GPRESSAVG: 416800 -23.7447 3.42196 27.3098 4.32217 18.3039 24.7479 27.0764 26.1441 -2.46632 TIMING: 416800 CPU: 1242.8, 0.00297038/step Wall: 1242.8, 0.00297038/step, 3.78162 hours remaining, 209.347656 MB of memory in use. ENERGY: 416800 717.4113 2056.0071 1957.8940 121.1903 -206536.4383 17945.5031 0.0000 0.0000 34333.7382 -149404.6944 299.8451 -183738.4326 -149308.1319 298.7730 199.7123 229.5293 556885.4855 -2.4835 -2.6357 PRESSURE: 417000 191.463 -95.1224 -68.8284 -95.1227 170.674 74.6922 -68.8288 74.693 54.6552 GPRESSURE: 417000 234.007 -145.07 -189.96 -56.401 170.008 62.5657 -47.641 53.6072 103.191 PRESSAVG: 417000 7.09337 10.2536 16.3788 10.2537 30.1386 35.645 16.3788 35.6451 -35.3917 GPRESSAVG: 417000 7.69941 9.28397 15.984 8.46956 28.8951 35.1868 17.7122 34.6573 -34.6499 TIMING: 417000 CPU: 1243.39, 0.00296922/step Wall: 1243.39, 0.00296922/step, 3.77998 hours remaining, 209.347656 MB of memory in use. ENERGY: 417000 748.0158 2044.4852 1943.0229 107.8697 -206429.2875 18089.2508 0.0000 0.0000 34106.4603 -149390.1828 297.8602 -183496.6431 -149288.6175 298.5384 138.9309 169.0687 556679.2336 0.6135 0.6482 PRESSURE: 417200 -150.01 38.0584 32.9446 38.0592 -85.57 -138.666 32.9437 -138.666 -352.719 GPRESSURE: 417200 -104.023 -13.8318 25.1661 96.4144 -100.577 -209.879 26.2314 -75.6353 -289.184 PRESSAVG: 417200 28.6891 -4.97554 1.92144 -4.97557 -61.2115 9.4659 1.9215 9.46595 7.29161 GPRESSAVG: 417200 27.6533 -5.21417 2.13957 -2.19396 -61.0392 10.7361 0.689515 9.47849 8.06669 TIMING: 417200 CPU: 1243.98, 0.00294212/step Wall: 1243.98, 0.00294212/step, 3.74533 hours remaining, 209.347656 MB of memory in use. ENERGY: 417200 767.4057 2072.7939 1941.5467 97.9344 -205694.4391 17648.3089 0.0000 0.0000 33988.3338 -149178.1156 296.8286 -183166.4494 -149082.5593 298.6299 -196.0994 -164.5946 558350.3725 -8.4103 -8.4397 PRESSURE: 417400 2.75786 -40.1157 55.6818 -40.1146 -58.8764 110.774 55.6819 110.775 -91.7244 GPRESSURE: 417400 25.8635 -37.0726 62.9296 -97.2629 -22.3407 126.921 44.5783 60.2722 -55.0034 PRESSAVG: 417400 -44.0084 4.76725 -6.58967 4.76723 41.2075 -13.5831 -6.5897 -13.583 -7.9637 GPRESSAVG: 417400 -43.6465 4.99378 -7.36239 3.65673 40.256 -13.0447 -6.83382 -15.0308 -8.07997 TIMING: 417400 CPU: 1244.57, 0.00294693/step Wall: 1244.57, 0.00294693/step, 3.75128 hours remaining, 209.347656 MB of memory in use. ENERGY: 417400 747.2120 2047.1401 1938.0652 108.6795 -206427.7681 17942.5524 0.0000 0.0000 34357.1551 -149286.9639 300.0496 -183644.1190 -149184.4118 298.9695 -49.2810 -17.1602 558188.8635 -3.5882 -3.8235 PRESSURE: 417600 -201.267 -39.5382 41.9493 -39.538 -334.249 -106.143 41.9511 -106.143 120.208 GPRESSURE: 417600 -164.884 -18.5358 -12.653 -86.4941 -269.038 -93.2314 67.0268 -137.616 107.257 PRESSAVG: 417600 -63.9861 -10.6796 -4.2187 -10.6796 21.2134 -20.9865 -4.21873 -20.9864 27.8055 GPRESSAVG: 417600 -63.683 -11.1804 -4.00578 -10.1893 21.6114 -22.6185 -6.59073 -18.885 26.8927 TIMING: 417600 CPU: 1245.16, 0.00297284/step Wall: 1245.16, 0.00297284/step, 3.7841 hours remaining, 209.347656 MB of memory in use. ENERGY: 417600 742.9400 2096.7014 1918.4043 120.1950 -205977.7490 17753.7765 0.0000 0.0000 33995.9858 -149349.7459 296.8954 -183345.7317 -149258.5001 298.9823 -138.4363 -108.8885 559361.5594 -4.9891 -5.0596 PRESSURE: 417800 169.189 -45.0685 -55.5239 -45.0678 87.8827 7.64984 -55.5234 7.65029 -33.6797 GPRESSURE: 417800 251.702 -79.7282 -38.7725 13.6365 127.841 121.813 -76.1669 -46.6057 -59.8405 PRESSAVG: 417800 -30.8302 12.721 -8.7179 12.721 3.90873 30.644 -8.71793 30.644 51.7739 GPRESSAVG: 417800 -29.6507 13.8991 -8.39525 12.0377 2.02744 30.1782 -6.32518 29.2668 52.1572 TIMING: 417800 CPU: 1245.76, 0.00296943/step Wall: 1245.76, 0.00296943/step, 3.77959 hours remaining, 209.347656 MB of memory in use. ENERGY: 417800 755.8339 2048.0264 1915.5050 108.6555 -206533.1312 18067.0689 0.0000 0.0000 34269.3343 -149368.7071 299.2826 -183638.0414 -149268.8309 298.9010 74.4638 106.5676 556984.3746 8.2841 8.1780 PRESSURE: 418000 92.6409 -161.195 41.4392 -161.195 40.1067 10.6169 41.4389 10.6156 -312.487 GPRESSURE: 418000 114.665 -176.424 108.502 -68.5273 85.7327 -9.61037 115.997 -7.04475 -288.396 PRESSAVG: 418000 -1.59634 -14.5311 30.8267 -14.5311 -18.5086 27.322 30.8267 27.322 2.85008 GPRESSAVG: 418000 -2.99253 -13.9497 31.2421 -13.2387 -16.4064 29.0366 31.5937 27.0423 1.90047 TIMING: 418000 CPU: 1246.35, 0.00298875/step Wall: 1246.35, 0.00298875/step, 3.80402 hours remaining, 209.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 418000 756.2292 2053.2635 1920.6941 118.5095 -206172.6758 17652.8624 0.0000 0.0000 34331.0412 -149340.0758 299.8215 -183671.1171 -149242.4502 298.8209 -59.9130 -29.3326 557010.8608 -5.7516 -5.8328 PRESSURE: 418200 91.5209 139.669 -49.3896 139.668 215.855 3.43768 -49.3896 3.43637 255.452 GPRESSURE: 418200 125.426 35.5173 -53.3998 195.486 221.646 18.1887 -30.1486 -71.7687 320.415 PRESSAVG: 418200 -4.45508 23.8684 -7.53675 23.8684 -1.86796 0.34221 -7.53678 0.342084 -0.32616 GPRESSAVG: 418200 -3.53451 22.5152 -8.11458 24.6205 -2.82966 0.298527 -8.2698 1.61585 0.0937242 TIMING: 418200 CPU: 1246.95, 0.00299729/step Wall: 1246.95, 0.00299729/step, 3.81472 hours remaining, 209.347656 MB of memory in use. ENERGY: 418200 768.2561 2059.4139 1933.4062 112.5946 -206629.0592 18043.6838 0.0000 0.0000 34437.3968 -149274.3078 300.7504 -183711.7046 -149183.3752 299.1850 187.6094 222.4953 556431.0109 -2.2164 -2.0901 PRESSURE: 418400 -0.449947 111.083 112.263 111.082 -127.399 136.581 112.263 136.581 144.971 GPRESSURE: 418400 35.7951 163.419 96.8823 94.8969 -120.342 96.6414 92.0167 119.342 198.311 PRESSAVG: 418400 0.486728 16.6135 -29.4071 16.6135 -37.3539 3.41457 -29.4071 3.41466 50.6947 GPRESSAVG: 418400 -0.367211 18.5236 -29.6886 14.6836 -36.6604 3.47435 -29.5382 2.28462 51.3617 TIMING: 418400 CPU: 1247.55, 0.00298635/step Wall: 1247.55, 0.00298635/step, 3.80062 hours remaining, 209.347656 MB of memory in use. ENERGY: 418400 754.8367 2043.0398 1974.3840 105.6898 -206218.2700 17765.9592 0.0000 0.0000 34512.7161 -149061.6445 301.4081 -183574.3606 -148965.1366 299.5292 5.7075 37.9214 557950.7700 4.6092 4.7780 PRESSURE: 418600 -20.3926 -88.871 -112.355 -88.8702 111.693 -68.0373 -112.355 -68.0371 -132.37 GPRESSURE: 418600 -4.41595 -124.726 -40.5173 -142.499 137.2 -73.0804 -167.665 18.5557 -70.3227 PRESSAVG: 418600 -55.957 -48.9343 37.8079 -48.9341 -6.19774 3.28722 37.8079 3.28719 93.8682 GPRESSAVG: 418600 -55.8853 -48.5985 37.7189 -49.6937 -6.28604 2.0003 35.7579 3.80539 93.8021 TIMING: 418600 CPU: 1248.14, 0.00295536/step Wall: 1248.14, 0.00295536/step, 3.76102 hours remaining, 209.347656 MB of memory in use. ENERGY: 418600 725.2081 2064.7622 1943.9874 113.9813 -206042.2505 17854.2324 0.0000 0.0000 34285.6080 -149054.4710 299.4247 -183340.0790 -148960.7666 299.9209 -13.6897 20.8205 558152.8276 10.5711 10.5436 PRESSURE: 418800 -216.212 -19.3163 122.901 -19.316 38.3996 37.4817 122.902 37.4803 -101.022 GPRESSURE: 418800 -165.666 -70.0018 62.0294 25.9541 62.6783 12.1711 174.08 -0.501295 -87.2344 PRESSAVG: 418800 -6.68543 -6.93206 4.99213 -6.93204 -17.8198 49.2906 4.99208 49.2906 20.7967 GPRESSAVG: 418800 -6.51524 -9.36221 3.62734 -6.8886 -17.3753 50.5142 6.02101 50.2135 19.6146 TIMING: 418800 CPU: 1248.73, 0.00294228/step Wall: 1248.73, 0.00294228/step, 3.74422 hours remaining, 209.347656 MB of memory in use. ENERGY: 418800 731.5157 2133.9295 1950.5948 109.4669 -206199.3384 17876.9644 0.0000 0.0000 34227.5388 -149169.3284 298.9176 -183396.8672 -149074.3949 298.8943 -92.9448 -63.4075 558695.6756 -1.2362 -1.4253 PRESSURE: 419000 12.0604 43.971 -9.88464 43.97 23.6896 -70.1485 -9.88451 -70.1485 171.004 GPRESSURE: 419000 112.239 10.9171 -5.88518 22.8818 -16.6574 -54.3418 -10.4528 -96.0663 201.329 PRESSAVG: 419000 -4.79162 19.0618 -9.62293 19.0618 64.3653 -7.63113 -9.623 -7.63113 -56.6688 GPRESSAVG: 419000 -5.00817 20.9906 -9.56168 19.6531 64.1841 -7.20236 -9.19263 -8.75994 -56.1303 TIMING: 419000 CPU: 1249.32, 0.00297352/step Wall: 1249.32, 0.00297352/step, 3.7838 hours remaining, 209.347656 MB of memory in use. ENERGY: 419000 779.6014 2105.2366 1915.0598 123.9601 -206442.8596 17928.4605 0.0000 0.0000 34221.3739 -149369.1672 298.8638 -183590.5412 -149274.1570 299.1504 68.9180 98.9703 557321.4779 0.9683 1.0152 PRESSURE: 419200 -161.587 -92.5278 78.2579 -92.5271 58.3019 158.049 78.2595 158.047 -1.73727 GPRESSURE: 419200 -117.946 -106.603 156.716 -69.9423 92.7095 132.326 -29.0761 186.668 19.412 PRESSAVG: 419200 -21.7866 25.3503 22.9157 25.3503 24.9839 33.9184 22.9156 33.9183 35.2264 GPRESSAVG: 419200 -20.9011 23.349 25.453 24.3064 24.6853 32.5003 24.1784 34.4157 34.5584 TIMING: 419200 CPU: 1249.92, 0.00295295/step Wall: 1249.92, 0.00295295/step, 3.75746 hours remaining, 209.347656 MB of memory in use. ENERGY: 419200 764.3981 2107.7909 1918.8747 106.5389 -206231.5136 17786.0275 0.0000 0.0000 34287.9078 -149259.9756 299.4448 -183547.8834 -149166.5716 298.4384 -35.0074 -1.9414 557557.3590 12.8079 12.7809 PRESSURE: 419400 -91.0099 139.971 -40.1658 139.97 -90.3581 11.5374 -40.1664 11.5349 -230.864 GPRESSURE: 419400 -84.4625 215.661 -26.8815 98.6754 -75.1952 34.5853 -19.2185 -66.1159 -160.469 PRESSAVG: 419400 -9.03578 8.0262 22.5992 8.02616 18.2231 -21.8532 22.5992 -21.8531 -14.8413 GPRESSAVG: 419400 -10.1444 8.76641 22.7166 8.95246 18.7008 -20.4058 21.2273 -21.2428 -14.3804 TIMING: 419400 CPU: 1250.51, 0.00294977/step Wall: 1250.51, 0.00294977/step, 3.75326 hours remaining, 209.347656 MB of memory in use. ENERGY: 419400 715.9665 2092.1479 1907.8616 116.5786 -205934.7417 17749.9986 0.0000 0.0000 34033.4981 -149318.6905 297.2230 -183352.1885 -149216.1900 298.6814 -137.4107 -106.7090 559520.4418 -1.8847 -1.9414 PRESSURE: 419600 -355.7 174.835 48.9844 174.834 -106.946 81.8827 48.9847 81.8855 74.6329 GPRESSURE: 419600 -266.742 202.229 110.806 169.417 -126.675 122.195 32.2768 28.1967 95.8552 PRESSAVG: 419600 -53.2324 70.7474 29.3254 70.7475 -1.04039 -54.6589 29.3254 -54.6589 73.4746 GPRESSAVG: 419600 -52.7774 70.9891 29.308 70.0647 -0.128901 -55.1005 29.2478 -55.0632 72.0217 TIMING: 419600 CPU: 1251.1, 0.00295104/step Wall: 1251.1, 0.00295104/step, 3.75471 hours remaining, 209.347656 MB of memory in use. ENERGY: 419600 735.2659 2084.4580 1938.3337 114.0824 -206306.1039 17668.5111 0.0000 0.0000 34227.8697 -149537.5831 298.9205 -183765.4528 -149438.5018 298.7451 -129.3377 -99.1870 557596.6153 6.4006 6.3718 PRESSURE: 419800 -42.8464 -41.5243 -91.2274 -41.526 -158.308 -0.822715 -91.2296 -0.823448 -217.525 GPRESSURE: 419800 -0.743035 -30.4052 -20.7485 15.8468 -134.499 30.407 -64.1037 -33.2332 -185.079 PRESSAVG: 419800 28.2471 81.3581 0.234587 81.3581 -9.11406 18.1918 0.234626 18.1919 45.0813 GPRESSAVG: 419800 28.1682 80.9765 -0.672322 82.1692 -10.2305 17.4325 1.49091 17.3766 47.0898 TIMING: 419800 CPU: 1251.69, 0.00297442/step Wall: 1251.69, 0.00297442/step, 3.78428 hours remaining, 209.347656 MB of memory in use. ENERGY: 419800 701.1272 2116.8788 1914.0933 111.1825 -206202.5715 17679.3150 0.0000 0.0000 34293.3494 -149386.6253 299.4923 -183679.9747 -149295.3343 298.6746 -139.5596 -106.7738 557329.2642 21.4048 21.6758 PRESSURE: 420000 31.2466 -184.249 -169.196 -184.249 60.9499 -53.2055 -169.196 -53.2045 -136.98 GPRESSURE: 420000 111.787 -153.442 -84.7382 -182.741 93.3667 -59.8763 -193.114 -107.124 -152.197 PRESSAVG: 420000 56.8167 -25.0982 -31.0145 -25.0983 -54.1159 -14.1248 -31.0145 -14.1249 -20.5787 GPRESSAVG: 420000 57.3435 -25.2194 -31.1476 -25.6953 -54.3705 -13.9973 -31.6594 -13.4097 -20.1707 TIMING: 420000 CPU: 1252.28, 0.00295343/step Wall: 1252.28, 0.00295343/step, 3.75742 hours remaining, 209.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 420000 771.9867 2119.9851 1960.5638 108.3193 -205955.4104 17729.6217 0.0000 0.0000 34077.4191 -149187.5147 297.6066 -183264.9338 -149093.0793 299.0919 -14.9278 17.6524 556035.2911 -5.9593 -5.7326 PRESSURE: 420200 218.871 48.1267 -58.1358 48.1272 -105.643 -82.5264 -58.136 -82.5257 53.6158 GPRESSURE: 420200 232.938 28.893 -68.3908 116.085 -11.7878 -76.6662 -104.644 -70.3035 40.4827 PRESSAVG: 420200 50.7351 -20.9929 20.0235 -20.9928 3.04679 3.3476 20.0236 3.34759 -39.6973 GPRESSAVG: 420200 50.1426 -19.6797 19.4843 -20.5066 3.59712 5.11227 19.3559 2.08545 -39.5354 TIMING: 420200 CPU: 1252.87, 0.00295957/step Wall: 1252.87, 0.00295957/step, 3.76506 hours remaining, 209.347656 MB of memory in use. ENERGY: 420200 750.5663 2001.4047 1961.9055 98.8387 -206413.2720 17956.3584 0.0000 0.0000 34276.1493 -149368.0492 299.3421 -183644.1985 -149274.0418 299.3513 55.6147 87.2111 557117.1128 4.6948 4.7348 LDB: ============= START OF LOAD BALANCING ============== 1256.42 LDB: ============== END OF LOAD BALANCING =============== 1256.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1256.42 LDB: ============= START OF LOAD BALANCING ============== 1256.72 LDB: Largest compute 4796 load 0.028596 is 24.2% of average load 0.117968 LDB: Average compute 0.001738 is 1.5% of average load 0.117968 LDB: TIME 1256.72 LOAD: AVG 0.117968 MAX 0.206205 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.066 MB LDB: TIME 1256.72 LOAD: AVG 0.117968 MAX 0.206205 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.066 MB LDB: TIME 1256.72 LOAD: AVG 0.117968 MAX 0.206205 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.066 MB LDB: ============== END OF LOAD BALANCING =============== 1256.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1256.73 PRESSURE: 420400 224.887 -25.1687 -17.9076 -25.1696 -14.8896 197.284 -17.9077 197.284 -262.013 GPRESSURE: 420400 236.552 53.9496 -48.8278 -132.093 -18.7041 124.232 -34.327 167.327 -169.389 PRESSAVG: 420400 86.077 23.6683 20.2983 23.6684 -27.0437 -0.210999 20.2983 -0.210824 -31.623 GPRESSAVG: 420400 85.9853 20.0271 20.4427 24.7539 -27.6711 -1.61231 22.6091 -0.604706 -30.6446 TIMING: 420400 CPU: 1253.48, 0.00303747/step Wall: 1253.48, 0.00303747/step, 3.864 hours remaining, 206.066406 MB of memory in use. ENERGY: 420400 759.2921 2082.4585 1953.1794 113.4840 -206380.5886 17902.6266 0.0000 0.0000 34217.8867 -149351.6613 298.8333 -183569.5480 -149253.8194 298.9307 -17.3382 16.1530 557501.4234 9.1368 9.2232 PRESSURE: 420600 107.924 -6.52315 -39.0803 -6.52182 159 58.2894 -39.0798 58.2908 -24.8409 GPRESSURE: 420600 104.878 -95.7359 -97.2636 27.9306 207.657 -23.5983 12.7076 142.93 29.0431 PRESSAVG: 420600 71.5518 8.2791 -1.15033 8.27905 7.63223 43.9535 -1.15028 43.9536 -58.2789 GPRESSAVG: 420600 73.5983 12.3732 -2.68914 7.48394 7.10722 45.0168 -2.11538 45.8017 -60.0703 TIMING: 420600 CPU: 1254.08, 0.00297959/step Wall: 1254.08, 0.00297959/step, 3.79021 hours remaining, 206.066406 MB of memory in use. ENERGY: 420600 757.9661 2066.5394 1957.2989 129.8884 -206836.2192 18163.9768 0.0000 0.0000 34314.5590 -149445.9907 299.6776 -183760.5497 -149347.8015 299.3425 80.6944 113.8592 557244.7162 6.9684 6.8784 PRESSURE: 420800 190.474 25.9243 13.3389 25.9268 183.36 228.669 13.3391 228.67 -39.0237 GPRESSURE: 420800 152.99 48.2275 -1.68527 5.12792 243.061 308.698 62.9399 175.042 41.5751 PRESSAVG: 420800 69.7512 27.4594 30.0269 27.4594 -24.4947 9.1719 30.0269 9.17192 4.29464 GPRESSAVG: 420800 67.8086 26.6259 29.5384 26.5352 -23.5556 9.50557 30.892 9.39502 5.63614 TIMING: 420800 CPU: 1254.67, 0.00297651/step Wall: 1254.67, 0.00297651/step, 3.78612 hours remaining, 206.066406 MB of memory in use. ENERGY: 420800 713.0750 2129.9720 1929.8989 119.1600 -206155.3459 17866.6642 0.0000 0.0000 34075.2803 -149321.2955 297.5879 -183396.5758 -149232.9676 299.3408 111.6033 145.8755 555969.3810 16.5170 16.6297 PRESSURE: 421000 -21.4942 -187.262 -86.0221 -187.263 -79.7423 75.9485 -86.0221 75.9492 -88.0578 GPRESSURE: 421000 -16.2717 -216.779 -154.881 -161.343 -17.5485 -4.08638 -44.1087 109.848 -51.577 PRESSAVG: 421000 -60.7085 -27.232 -5.74689 -27.2321 32.8648 49.3212 -5.74684 49.3211 22.3261 GPRESSAVG: 421000 -59.2224 -27.248 -2.59546 -26.8352 31.7304 49.0463 -6.63793 48.1034 21.8047 TIMING: 421000 CPU: 1255.27, 0.00298374/step Wall: 1255.27, 0.00298374/step, 3.79515 hours remaining, 206.066406 MB of memory in use. ENERGY: 421000 737.8486 2066.9143 1924.5444 106.8079 -206458.2073 17698.0997 0.0000 0.0000 34424.0642 -149499.9282 300.6339 -183923.9924 -149398.4279 298.9444 -63.0981 -28.4657 556207.8105 -1.8392 -1.8958 PRESSURE: 421200 19.8033 169.681 -92.0482 169.68 -26.9709 -83.7059 -92.0477 -83.7073 -235.966 GPRESSURE: 421200 67.2184 76.5755 -3.33429 234.74 36.1834 -60.0777 -157.537 -154.3 -246.639 PRESSAVG: 421200 12.8095 53.2913 -19.3949 53.2913 44.9585 23.5994 -19.3949 23.5994 -60.4992 GPRESSAVG: 421200 12.0068 51.9575 -19.7356 53.5739 45.4412 24.2413 -20.4566 23.3522 -60.325 TIMING: 421200 CPU: 1255.86, 0.00295214/step Wall: 1255.86, 0.00295214/step, 3.7548 hours remaining, 206.066406 MB of memory in use. ENERGY: 421200 732.5797 2050.8579 1965.6139 115.8621 -206592.9404 17948.2386 0.0000 0.0000 34395.6630 -149384.1251 300.3859 -183779.7881 -149286.5220 298.6643 -81.0446 -47.7457 557686.5193 -0.9104 -0.9590 PRESSURE: 421400 100.545 9.98825 47.8076 9.98782 -98.077 20.3024 47.8071 20.3028 -26.9525 GPRESSURE: 421400 117.905 55.1629 41.4854 -5.27915 -25.9034 1.70506 35.7606 -36.3567 -16.2096 PRESSAVG: 421400 37.6193 13.4397 -11.8842 13.4396 -25.3422 -13.0002 -11.8842 -13.0002 -17.9289 GPRESSAVG: 421400 36.5333 13.9824 -12.6791 13.4642 -24.2299 -15.3086 -11.2636 -14.0907 -18.0418 TIMING: 421400 CPU: 1256.45, 0.00294128/step Wall: 1256.45, 0.00294128/step, 3.74082 hours remaining, 206.066406 MB of memory in use. ENERGY: 421400 775.3043 2023.8651 1928.4268 111.5325 -206531.4468 17936.9087 0.0000 0.0000 34301.1578 -149454.2517 299.5605 -183755.4094 -149358.3837 298.6022 -8.1615 25.2642 556441.7749 -1.8840 -1.9128 PRESSURE: 421600 -97.4279 -56.0429 -164.838 -56.0436 -128.288 -1.99117 -164.838 -1.99152 -33.1833 GPRESSURE: 421600 -77.4856 -74.0995 -128.042 -82.555 -95.7163 -28.3187 -207.816 44.0321 -6.51102 PRESSAVG: 421600 28.792 50.9258 -43.8535 50.9257 17.3805 -30.8954 -43.8536 -30.8954 -33.9751 GPRESSAVG: 421600 29.1552 50.7045 -43.7828 52.105 16.5956 -30.8216 -43.7945 -29.2654 -34.2267 TIMING: 421600 CPU: 1257.04, 0.00294249/step Wall: 1257.04, 0.00294249/step, 3.74219 hours remaining, 206.066406 MB of memory in use. ENERGY: 421600 778.7353 2083.0987 1916.0935 112.0929 -206594.3097 17913.7006 0.0000 0.0000 34247.5686 -149543.0201 299.0925 -183790.5887 -149447.6897 298.7225 -86.2996 -59.9043 557138.9453 4.0658 3.8414 PRESSURE: 421800 -287.14 31.3871 -8.49202 31.3869 -213.948 -49.5715 -8.49176 -49.5712 -235.654 GPRESSURE: 421800 -255.019 7.48056 9.14868 -10.2423 -165.549 -76.2007 9.18749 54.1929 -214.235 PRESSAVG: 421800 -23.9021 -51.9212 -69.7872 -51.9213 27.6516 -39.8878 -69.7873 -39.8879 11.2455 GPRESSAVG: 421800 -23.7769 -51.5795 -70.0488 -52.4156 27.7757 -39.6226 -68.8593 -39.1095 10.7494 TIMING: 421800 CPU: 1257.63, 0.00296709/step Wall: 1257.63, 0.00296709/step, 3.77331 hours remaining, 206.066406 MB of memory in use. ENERGY: 421800 711.2083 2092.2219 1926.2989 99.9826 -205947.8967 17425.3135 0.0000 0.0000 34019.2854 -149673.5860 297.0989 -183692.8714 -149581.7777 297.7614 -245.5805 -211.6011 559689.1694 4.9983 4.9161 PRESSURE: 422000 -281.647 3.99192 -30.5329 3.99264 -160.756 -134.834 -30.5321 -134.833 -83.5076 GPRESSURE: 422000 -265.371 -19.3641 -138.188 61.6231 -88.5588 -129.252 -21.6524 -96.4849 -79.9475 PRESSAVG: 422000 4.0682 -26.3364 29.8858 -26.3364 40.8145 -16.0057 29.8857 -16.0056 -25.8773 GPRESSAVG: 422000 3.92345 -26.3385 30.552 -26.4867 40.6128 -14.5558 29.4671 -17.0054 -25.4114 TIMING: 422000 CPU: 1258.22, 0.00296937/step Wall: 1258.22, 0.00296937/step, 3.77605 hours remaining, 206.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 422000 753.0260 2047.4208 1925.4665 112.4858 -206101.2971 17574.7796 0.0000 0.0000 34131.2015 -149556.9169 298.0763 -183688.1184 -149460.6498 298.2884 -175.3035 -144.6258 558342.0107 6.3351 6.3750 PRESSURE: 422200 -101.115 46.7684 -5.01587 46.7689 -226.827 76.8359 -5.01555 76.836 42.9187 GPRESSURE: 422200 -33.3492 34.7989 106.775 45.7153 -173.328 67.8949 -32.6328 10.5936 13.2687 PRESSAVG: 422200 -20.1686 0.367721 62.3179 0.367748 -55.7457 21.845 62.3181 21.845 88.3626 GPRESSAVG: 422200 -20.616 0.809076 62.9276 -0.302163 -54.9328 22.5034 62.2233 21.0779 87.4629 TIMING: 422200 CPU: 1258.82, 0.00297256/step Wall: 1258.82, 0.00297256/step, 3.77994 hours remaining, 206.066406 MB of memory in use. ENERGY: 422200 741.9187 2070.7990 1956.4319 112.7336 -206390.9837 17859.5167 0.0000 0.0000 34120.8018 -149528.7819 297.9854 -183649.5837 -149433.8355 298.9141 -95.0077 -64.4695 558503.3147 4.1494 3.9713 PRESSURE: 422400 18.0025 -72.4831 -94.1875 -72.4836 70.9987 52.9243 -94.1857 52.9244 -226.49 GPRESSURE: 422400 125.354 -102.529 -28.4393 -88.3733 91.9327 -18.1688 -129.529 83.7121 -259.349 PRESSAVG: 422400 1.94566 -3.45839 -31.3961 -3.45829 42.5971 -2.53417 -31.396 -2.53413 -68.666 GPRESSAVG: 422400 2.13335 -2.98573 -33.2167 -3.68653 41.9836 -1.76144 -29.9901 -1.38226 -68.079 TIMING: 422400 CPU: 1259.41, 0.00295034/step Wall: 1259.41, 0.00295034/step, 3.75152 hours remaining, 206.066406 MB of memory in use. ENERGY: 422400 726.4480 2077.0624 1936.2296 116.3008 -206274.5517 17874.2637 0.0000 0.0000 34208.9663 -149335.2809 298.7554 -183544.2472 -149241.3562 298.4181 -45.8295 -14.0211 558159.4583 -8.0411 -7.9873 PRESSURE: 422600 191.771 53.5373 -19.037 53.5384 77.5866 53.5613 -19.0364 53.5618 261.588 GPRESSURE: 422600 230.074 80.4939 74.1928 6.85291 89.4887 -2.74681 3.9666 35.8326 305.003 PRESSAVG: 422600 45.8276 21.4407 9.37253 21.4407 21.184 12.7861 9.37246 12.7861 -20.5039 GPRESSAVG: 422600 46.3925 20.475 10.2133 22.5989 21.1795 12.6684 7.24812 10.4668 -21.1754 TIMING: 422600 CPU: 1260, 0.00297183/step Wall: 1260, 0.00297183/step, 3.77869 hours remaining, 206.066406 MB of memory in use. ENERGY: 422600 745.0206 2098.1208 1923.2577 113.5921 -206840.6250 18199.3898 0.0000 0.0000 34283.3656 -149477.8784 299.4052 -183761.2440 -149388.9100 299.2956 176.9817 208.1888 556914.5994 15.5025 15.4655 PRESSURE: 422800 -226.978 31.043 74.1267 31.0425 -156.96 141.303 74.1276 141.304 61.4802 GPRESSURE: 422800 -215.698 7.07925 68.9948 56.4565 -134.736 129.001 -40.1257 91.0157 115.378 PRESSAVG: 422800 -9.97999 -18.6267 34.3857 -18.6267 -11.151 0.885364 34.3857 0.885405 55.8925 GPRESSAVG: 422800 -10.617 -20.2541 32.2444 -17.5515 -11.4892 -0.319736 37.9371 1.57186 56.7678 TIMING: 422800 CPU: 1260.59, 0.00295292/step Wall: 1260.59, 0.00295292/step, 3.75447 hours remaining, 206.066406 MB of memory in use. ENERGY: 422800 726.8186 2064.8005 1968.6336 108.6695 -206217.0368 17674.0910 0.0000 0.0000 34215.6305 -149458.3930 298.8136 -183674.0235 -149360.6162 298.7136 -107.4860 -78.3524 557896.2725 11.5872 11.5539 PRESSURE: 423000 183.411 -110.83 36.4622 -110.831 -117.436 -30.4329 36.4615 -30.431 24.5156 GPRESSURE: 423000 210.588 -92.4585 -0.453281 -110.498 -102.816 2.39614 47.3852 -37.0034 87.7186 PRESSAVG: 423000 0.717512 -2.28532 9.46507 -2.28531 -0.486635 -21.4154 9.46509 -21.4154 0.511993 GPRESSAVG: 423000 -0.105711 -0.823964 11.4727 -4.50623 -0.361948 -21.7254 6.50425 -20.6057 1.52524 TIMING: 423000 CPU: 1261.18, 0.00294824/step Wall: 1261.18, 0.00294824/step, 3.74836 hours remaining, 206.066406 MB of memory in use. ENERGY: 423000 747.5732 2032.8625 1958.2997 110.7017 -206443.6533 18043.9492 0.0000 0.0000 33988.8425 -149561.4246 296.8330 -183550.2671 -149470.0852 298.0310 30.1633 65.1636 556388.5855 0.2476 0.3525 PRESSURE: 423200 196.61 172.104 127.197 172.104 223.801 180.276 127.197 180.276 2.72085 GPRESSURE: 423200 186.365 133.189 175.422 182.971 299.513 145.041 60.2629 160.538 17.5662 PRESSAVG: 423200 -12.4929 57.6641 -5.06241 57.664 68.74 49.0081 -5.06254 49.008 -65.9837 GPRESSAVG: 423200 -13.1796 57.8988 -5.34943 56.6587 70.703 48.3759 -3.511 49.1689 -66.921 TIMING: 423200 CPU: 1261.77, 0.00295882/step Wall: 1261.77, 0.00295882/step, 3.76165 hours remaining, 206.066406 MB of memory in use. ENERGY: 423200 732.1757 2094.4778 1946.5299 112.8608 -206627.5175 18010.7575 0.0000 0.0000 34338.1728 -149392.5430 299.8838 -183730.7158 -149300.4871 299.0604 141.0440 167.8148 557336.1803 -3.2455 -3.1325 PRESSURE: 423400 -40.459 94.3075 133.191 94.3069 -242.92 -93.4463 133.19 -93.4463 -258.125 GPRESSURE: 423400 -85.2586 91.9501 177.813 85.9509 -196.579 -162.498 133.982 -118.524 -162.2 PRESSAVG: 423400 -53.9615 41.9786 34.6389 41.9786 9.43727 37.5294 34.6389 37.5292 22.5125 GPRESSAVG: 423400 -52.5509 41.6652 35.5543 41.587 8.38875 37.0515 33.8034 37.9349 22.6851 TIMING: 423400 CPU: 1262.36, 0.00294828/step Wall: 1262.36, 0.00294828/step, 3.74809 hours remaining, 206.066406 MB of memory in use. ENERGY: 423400 751.7118 2041.1187 1942.3074 127.4228 -206165.7714 17534.7998 0.0000 0.0000 34420.8654 -149347.5456 300.6060 -183768.4110 -149250.1379 299.0061 -180.5014 -148.0123 557770.8398 -7.3372 -7.1590 PRESSURE: 423600 -317.539 230.259 -132.048 230.26 -113.004 166.719 -132.048 166.718 -133.955 GPRESSURE: 423600 -278.659 173.179 -71.043 291.691 -83.0031 155.881 -23.8471 210.596 -106.603 PRESSAVG: 423600 3.95203 25.783 47.6503 25.7829 16.5377 46.0186 47.6503 46.0187 25.9454 GPRESSAVG: 423600 4.66217 24.5154 45.1109 28.8251 14.9749 48.3177 47.6512 44.6914 27.06 TIMING: 423600 CPU: 1262.95, 0.0029519/step Wall: 1262.95, 0.0029519/step, 3.75252 hours remaining, 206.066406 MB of memory in use. ENERGY: 423600 796.8641 2063.8797 1944.1980 115.5042 -205871.7479 17450.7796 0.0000 0.0000 34285.2790 -149215.2434 299.4219 -183500.5224 -149130.8962 299.3508 -188.1658 -156.0885 557976.1849 15.4784 15.5657 PRESSURE: 423800 43.7038 16.6623 -81.5715 16.6621 -25.0286 -55.8733 -81.5736 -55.8735 -44.7991 GPRESSURE: 423800 78.7932 26.5915 -115.57 -23.8327 15.0695 41.4408 -171.084 -84.1294 -32.4222 PRESSAVG: 423800 5.88389 24.9988 19.0804 24.9987 -4.50021 12.5059 19.0804 12.5059 -22.9469 GPRESSAVG: 423800 5.3778 25.5309 20.2354 23.1685 -3.23388 10.3203 19.9262 12.0665 -23.8669 TIMING: 423800 CPU: 1263.56, 0.00302643/step Wall: 1263.56, 0.00302643/step, 3.8471 hours remaining, 206.066406 MB of memory in use. ENERGY: 423800 733.1149 2113.6705 1950.7680 102.5322 -206267.1629 17872.5304 0.0000 0.0000 34205.8622 -149288.6847 298.7283 -183494.5469 -149190.2017 299.7067 -8.7080 20.4802 556928.0763 -7.1878 -7.2410 PRESSURE: 424000 -184.506 -71.6863 57.76 -71.6858 -371.766 -174.662 57.7599 -174.661 -23.3026 GPRESSURE: 424000 -143.198 -113.799 73.4882 -44.0679 -330.983 -146.715 16.4182 -173.202 -14.1247 PRESSAVG: 424000 -28.1402 22.5424 -36.1985 22.5425 39.3255 -37.0458 -36.1985 -37.0459 8.43811 GPRESSAVG: 424000 -28.419 20.1739 -36.1022 22.4247 38.8705 -36.0162 -37.56 -37.3598 8.1005 TIMING: 424000 CPU: 1264.16, 0.00300894/step Wall: 1264.16, 0.00300894/step, 3.8247 hours remaining, 206.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 424000 725.6435 2069.0698 1917.7920 109.2861 -206000.4491 17581.5426 0.0000 0.0000 34387.7621 -149209.3531 300.3169 -183597.1152 -149118.3459 299.5438 -193.1916 -162.7685 558996.7714 6.5411 6.1840 PRESSURE: 424200 -136.755 -144.592 -21.6829 -144.591 -94.5424 279.557 -21.6833 279.559 71.5833 GPRESSURE: 424200 -96.1077 -176.522 -34.9628 -80.2914 -9.9891 305.549 -2.98664 301.258 34.5674 PRESSAVG: 424200 71.856 -8.44064 5.20541 -8.44061 -44.2805 32.0503 5.20533 32.0502 -6.61182 GPRESSAVG: 424200 72.0973 -8.30356 4.4401 -7.03867 -45.6275 32.9941 6.93694 32.4021 -6.15125 TIMING: 424200 CPU: 1264.76, 0.00299919/step Wall: 1264.76, 0.00299919/step, 3.81214 hours remaining, 206.066406 MB of memory in use. ENERGY: 424200 741.3051 2071.6502 1954.9072 112.3342 -206317.2794 17973.1288 0.0000 0.0000 34301.0201 -149162.9338 299.5593 -183463.9538 -149070.3963 299.4173 -53.2381 -23.8431 558579.2406 6.9879 6.7728 LDB: ============= START OF LOAD BALANCING ============== 1268.31 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1268.31 LDB: =============== DONE WITH MIGRATION ================ 1268.31 LDB: ============= START OF LOAD BALANCING ============== 1268.61 LDB: Largest compute 4774 load 0.027534 is 23.3% of average load 0.117966 LDB: Average compute 0.001739 is 1.5% of average load 0.117966 LDB: TIME 1268.61 LOAD: AVG 0.117966 MAX 0.207459 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.578 MB LDB: TIME 1268.61 LOAD: AVG 0.117966 MAX 0.207459 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.578 MB LDB: TIME 1268.61 LOAD: AVG 0.117966 MAX 0.207459 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.578 MB LDB: ============== END OF LOAD BALANCING =============== 1268.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1268.62 PRESSURE: 424400 -172.15 -121.751 19.9267 -121.751 -340.317 51.7818 19.9263 51.7828 -321.714 GPRESSURE: 424400 -97.5349 -251.216 82.3162 -8.18823 -296.41 -14.4946 -18.6162 78.1042 -346.331 PRESSAVG: 424400 -29.3575 11.2802 0.739307 11.2801 15.0979 3.31734 0.739471 3.31718 13.3613 GPRESSAVG: 424400 -30.4816 13.9308 1.32513 7.33117 16.1496 2.80444 1.45977 2.76983 13.1877 TIMING: 424400 CPU: 1265.37, 0.00304891/step Wall: 1265.37, 0.00304891/step, 3.87516 hours remaining, 206.835938 MB of memory in use. ENERGY: 424400 747.4794 2091.2632 1919.6326 103.0801 -205623.7853 17308.0149 0.0000 0.0000 34240.0702 -149214.2450 299.0270 -183454.3152 -149119.6948 299.3047 -278.0603 -246.7587 558306.9218 -0.2994 -0.3814 PRESSURE: 424600 -107.67 59.1459 -33.1432 59.1468 -9.88109 -32.8378 -33.1433 -32.8373 -112.172 GPRESSURE: 424600 -109.272 43.9547 -12.5928 -9.59225 56.3053 -34.8268 -12.6199 -10.2377 -87.128 PRESSAVG: 424600 -14.8649 7.76651 -23.2299 7.76644 90.7742 -4.51248 -23.2299 -4.51252 -91.3854 GPRESSAVG: 424600 -14.2071 6.85111 -23.894 10.6393 90.832 -5.87777 -22.7054 -3.54624 -92.5806 TIMING: 424600 CPU: 1265.97, 0.0029764/step Wall: 1265.97, 0.0029764/step, 3.78284 hours remaining, 206.835938 MB of memory in use. ENERGY: 424600 725.0738 2112.6386 1954.9185 121.1319 -206179.0421 17734.2856 0.0000 0.0000 34258.8311 -149272.1625 299.1909 -183530.9936 -149170.1861 298.8710 -76.5743 -46.6983 557488.6825 -5.1587 -5.3186 PRESSURE: 424800 -169.315 282.851 79.4966 282.85 -188.962 21.8326 79.4958 21.8325 -85.6998 GPRESSURE: 424800 -147.585 336.851 74.5166 198.511 -121.051 115.418 29.5489 -102.378 -72.4558 PRESSAVG: 424800 34.6248 48.6468 39.3935 48.6468 64.6809 -29.3635 39.3934 -29.3636 -64.7562 GPRESSAVG: 424800 35.4119 49.325 40.9897 47.3807 64.7453 -28.4652 36.8656 -29.7477 -65.4671 TIMING: 424800 CPU: 1266.56, 0.00295268/step Wall: 1266.56, 0.00295268/step, 3.75252 hours remaining, 206.835938 MB of memory in use. ENERGY: 424800 782.7050 2021.3926 1955.9618 123.0452 -205727.0775 17443.6686 0.0000 0.0000 34338.8628 -149061.4414 299.8898 -183400.3042 -148969.4162 299.5002 -147.9921 -113.6972 556074.4736 11.5165 11.5633 PRESSURE: 425000 -14.4478 91.0681 -143.962 91.0684 -23.3934 -140.832 -143.963 -140.83 -169.021 GPRESSURE: 425000 29.5347 152.632 -142.395 79.9529 -3.08981 -67.1222 -136.825 -146.734 -132.926 PRESSAVG: 425000 -55.7824 15.6805 -43.139 15.6805 74.0041 -46.2526 -43.1391 -46.2525 -24.3308 GPRESSAVG: 425000 -55.4599 14.6491 -43.8996 16.5888 73.028 -48.3534 -40.9079 -47.0821 -23.5074 TIMING: 425000 CPU: 1267.15, 0.00295596/step Wall: 1267.15, 0.00295596/step, 3.75653 hours remaining, 206.835938 MB of memory in use. ENERGY: 425000 763.7427 2077.8638 1936.3560 109.0179 -205851.7532 17790.9751 0.0000 0.0000 34153.6368 -149020.1609 298.2722 -183173.7978 -148922.5493 299.8875 -68.9539 -35.4936 557058.3691 -2.0364 -1.9798 PRESSURE: 425200 -158.608 -197.823 -124.322 -197.824 -257.806 -3.60881 -124.322 -3.60724 -345.92 GPRESSURE: 425200 -141.8 -202.514 -97.1384 -138.9 -218.12 -53.1985 -137.716 68.934 -306.787 PRESSAVG: 425200 -15.6698 45.0722 -55.3105 45.0723 12.4674 18.2373 -55.3106 18.2373 -21.5632 GPRESSAVG: 425200 -17.4952 44.6751 -53.626 44.0784 14.2393 18.3585 -58.1642 20.8651 -21.9757 TIMING: 425200 CPU: 1267.75, 0.00300137/step Wall: 1267.75, 0.00300137/step, 3.81407 hours remaining, 206.835938 MB of memory in use. ENERGY: 425200 771.3889 2076.2353 1905.9105 119.6052 -205609.2140 17505.4572 0.0000 0.0000 34080.3169 -149150.3001 297.6319 -183230.6170 -149053.3926 299.5583 -254.1114 -222.2355 559410.3529 -8.2552 -8.4105 PRESSURE: 425400 -358.558 -89.1863 -165.012 -89.1862 -72.4646 45.6588 -165.012 45.6597 104.551 GPRESSURE: 425400 -344.533 -86.0749 -154.386 -55.6038 -70.4739 -43.6299 -71.556 125.695 199.185 PRESSAVG: 425400 -47.9039 30.7032 -99.9364 30.7032 11.9306 16.31 -99.9365 16.31 26.2051 GPRESSAVG: 425400 -46.4975 33.0909 -101.235 29.5956 11.2297 18.4552 -99.6677 15.5859 25.8795 TIMING: 425400 CPU: 1268.35, 0.00300577/step Wall: 1268.35, 0.00300577/step, 3.8195 hours remaining, 206.835938 MB of memory in use. ENERGY: 425400 723.8592 2100.6481 1930.1387 108.0926 -205669.4207 17474.3953 0.0000 0.0000 34361.5884 -148970.6985 300.0883 -183332.2868 -148871.2669 299.5294 -108.8239 -71.9407 557593.2989 -3.2561 -3.1294 PRESSURE: 425600 126.946 -40.6076 21.4457 -40.6089 19.023 -16.7204 21.4453 -16.7216 94.2241 GPRESSURE: 425600 158.557 -38.1322 -18.1495 11.1714 76.9137 20.4271 -23.0867 -90.664 103.328 PRESSAVG: 425600 -11.8013 3.30867 -55.5152 3.30865 23.4702 -20.4796 -55.5152 -20.4796 18.3656 GPRESSAVG: 425600 -12.6828 1.67886 -54.9134 7.28065 24.0844 -21.8122 -54.8609 -20.4758 18.3521 TIMING: 425600 CPU: 1268.94, 0.0029792/step Wall: 1268.94, 0.0029792/step, 3.78557 hours remaining, 206.835938 MB of memory in use. ENERGY: 425600 754.1915 2021.7999 1948.1637 112.8660 -206057.2367 17888.6989 0.0000 0.0000 34320.2566 -149011.2602 299.7273 -183331.5169 -148908.8633 298.9830 80.0643 112.9328 557418.6734 10.0115 9.9179 PRESSURE: 425800 -241.209 183.736 149.036 183.736 132.693 -100.11 149.035 -100.107 -48.0384 GPRESSURE: 425800 -155.44 178.947 88.8397 241.691 136.685 -114.437 161.634 -88.759 -31.3264 PRESSAVG: 425800 -50.6564 2.60193 -27.5631 2.60193 62.5285 28.1047 -27.5632 28.1047 18.7301 GPRESSAVG: 425800 -50.6298 2.85549 -27.2859 0.620902 61.9315 27.415 -28.1133 27.1648 19.2025 TIMING: 425800 CPU: 1269.54, 0.00298013/step Wall: 1269.54, 0.00298013/step, 3.78659 hours remaining, 206.835938 MB of memory in use. ENERGY: 425800 737.3802 2019.5880 1931.9735 114.9623 -206087.6767 17686.9331 0.0000 0.0000 34449.1683 -149147.6713 300.8532 -183596.8395 -149046.0386 299.6299 -52.1847 -16.6938 558205.0427 10.2008 10.1681 PRESSURE: 426000 -120.047 -22.2314 62.9757 -22.2322 68.0349 -92.1772 62.9755 -92.1763 177.067 GPRESSURE: 426000 -76.0389 -36.5583 91.4955 -69.0353 49.7611 -87.1184 152.751 -1.84961 258.251 PRESSAVG: 426000 -48.2725 26.4557 2.70539 26.4557 38.3218 -24.7665 2.70531 -24.7665 9.06039 GPRESSAVG: 426000 -47.0983 25.6376 -0.445264 25.8096 36.821 -22.5007 5.76972 -24.4196 9.14889 TIMING: 426000 CPU: 1270.14, 0.0029778/step Wall: 1270.14, 0.0029778/step, 3.78346 hours remaining, 206.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 426000 703.1765 2078.9112 1968.3922 104.7796 -206097.5159 17853.6578 0.0000 0.0000 34336.5200 -149052.0786 299.8694 -183388.5986 -148955.2925 299.5321 41.6851 77.3246 557914.9580 -0.2968 -0.3761 PRESSURE: 426200 58.0336 -19.8279 -6.59097 -19.8286 22.0105 64.5297 -6.59177 64.5285 76.371 GPRESSURE: 426200 45.5755 37.5247 -83.128 -15.7422 93.9969 85.0931 6.14141 29.9062 117.701 PRESSAVG: 426200 -51.48 -14.4814 -20.1446 -14.4814 77.4074 11.564 -20.1445 11.564 -31.0125 GPRESSAVG: 426200 -50.9018 -13.3589 -17.5385 -13.6046 76.8035 9.85531 -24.0179 12.3673 -31.2428 TIMING: 426200 CPU: 1270.73, 0.00297357/step Wall: 1270.73, 0.00297357/step, 3.77792 hours remaining, 206.894531 MB of memory in use. ENERGY: 426200 719.0412 2073.2110 1939.9864 105.6000 -206190.7732 17768.2276 0.0000 0.0000 34485.9040 -149098.8030 301.1740 -183584.7070 -149006.7539 299.7345 52.1384 85.7577 557497.6236 -1.6950 -1.7804 PRESSURE: 426400 -82.1083 17.5136 -123.162 17.5144 -26.7433 -90.9988 -123.163 -91.0003 -94.1351 GPRESSURE: 426400 -75.8827 -16.5775 -192.723 -37.2804 -8.02333 -14.4604 -111.449 -59.7855 -21.1625 PRESSAVG: 426400 19.4875 -44.2354 -52.2539 -44.2354 -55.5549 -6.24717 -52.2539 -6.24718 50.2516 GPRESSAVG: 426400 18.7989 -45.1065 -51.7912 -45.0382 -54.3578 -5.97488 -51.1311 -4.01072 49.9399 TIMING: 426400 CPU: 1271.32, 0.00296414/step Wall: 1271.32, 0.00296414/step, 3.76578 hours remaining, 206.960938 MB of memory in use. ENERGY: 426400 707.6664 2021.5346 1920.7131 111.7596 -206032.3992 17731.5185 0.0000 0.0000 34214.8383 -149324.3688 298.8067 -183539.2071 -149227.7473 298.9994 -67.6623 -35.0229 557960.2168 4.7281 4.7937 PRESSURE: 426600 -76.2062 -68.185 -14.1417 -68.1866 -248.219 -191.499 -14.141 -191.498 -32.5601 GPRESSURE: 426600 -56.6435 -113.329 -8.62524 7.46648 -214.766 -125.535 -100.252 -150.684 7.48977 PRESSAVG: 426600 -23.1544 -9.95009 -5.04425 -9.95011 27.5308 -85.6614 -5.04427 -85.6615 22.3293 GPRESSAVG: 426600 -23.9757 -9.94804 -8.02273 -9.33518 26.9535 -83.9483 -4.25147 -88.2354 23.733 TIMING: 426600 CPU: 1271.92, 0.00299296/step Wall: 1271.92, 0.00299296/step, 3.80223 hours remaining, 206.960938 MB of memory in use. ENERGY: 426600 760.4986 2014.2307 1933.1582 119.2160 -206392.2976 17815.0109 0.0000 0.0000 34527.4784 -149222.7049 301.5371 -183750.1833 -149132.6923 299.2650 -118.9952 -87.9731 555877.8090 8.9019 8.9036 PRESSURE: 426800 42.6878 -82.2256 -126.311 -82.2252 63.2475 -120.083 -126.31 -120.085 -316.317 GPRESSURE: 426800 77.4404 -31.8927 -92.5775 66.5878 44.7896 -30.3056 -155.411 -214.47 -233.201 PRESSAVG: 426800 28.0339 -20.2963 5.4453 -20.2964 -9.96028 -45.2852 5.44534 -45.2853 -31.556 GPRESSAVG: 426800 29.4391 -20.2751 7.54997 -20.2955 -10.7217 -46.609 4.67666 -43.7108 -32.3767 TIMING: 426800 CPU: 1272.52, 0.00300383/step Wall: 1272.52, 0.00300383/step, 3.81587 hours remaining, 206.960938 MB of memory in use. ENERGY: 426800 741.6561 2057.2693 1938.3191 114.1572 -206237.1325 17745.2577 0.0000 0.0000 34107.5565 -149532.9167 297.8698 -183640.4732 -149443.1416 299.0675 -70.1274 -36.9903 556428.9797 -4.4941 -4.5531 PRESSURE: 427000 59.6799 -5.62202 152.544 -5.62143 113.271 -81.2453 152.545 -81.2458 -149.173 GPRESSURE: 427000 27.116 -9.23467 149.615 -32.1629 227.637 -26.7362 191.246 -71.1826 -142.526 PRESSAVG: 427000 53.5269 -11.9297 1.04831 -11.9297 -28.3028 -17.6749 1.04825 -17.6749 -10.8743 GPRESSAVG: 427000 53.1924 -10.5245 2.22435 -10.5344 -28.2373 -16.9471 0.867182 -17.8888 -10.6995 TIMING: 427000 CPU: 1273.13, 0.00301285/step Wall: 1273.13, 0.00301285/step, 3.82715 hours remaining, 206.960938 MB of memory in use. ENERGY: 427000 737.8817 2041.9863 1896.4856 117.9577 -206334.9935 17666.6685 0.0000 0.0000 34265.0889 -149608.9248 299.2455 -183874.0136 -149510.7245 299.0153 7.9261 37.4089 555843.5249 4.7833 4.7519 PRESSURE: 427200 62.2566 -99.3878 -29.06 -99.3899 108.234 67.5791 -29.0597 67.5795 -347.543 GPRESSURE: 427200 130.451 -104.013 -5.812 62.5352 84.3588 22.6099 -43.2594 73.2481 -303.532 PRESSAVG: 427200 -5.73466 23.0554 -47.3732 23.0555 14.1282 29.1892 -47.3733 29.1893 -39.9958 GPRESSAVG: 427200 -5.02259 22.2079 -50.1738 21.0662 14.599 28.3592 -47.1924 28.7848 -41.3444 TIMING: 427200 CPU: 1273.73, 0.00302916/step Wall: 1273.73, 0.00302916/step, 3.84771 hours remaining, 206.960938 MB of memory in use. ENERGY: 427200 709.2381 2067.3937 1929.2248 111.5050 -205814.2959 17452.7278 0.0000 0.0000 34124.4027 -149419.8038 298.0169 -183544.2065 -149327.9546 298.1586 -59.0176 -29.5740 556654.3388 -10.5341 -10.5893 PRESSURE: 427400 -188.69 41.2865 -45.9272 41.2853 -156.405 -57.7707 -45.9262 -57.7709 -72.0953 GPRESSURE: 427400 -153.892 25.1493 -14.7372 6.66929 -101.835 37.7055 -61.4384 -166.374 -56.4025 PRESSAVG: 427400 -37.2428 -48.2884 4.59925 -48.2884 72.4883 -32.4951 4.59925 -32.4951 -27.1371 GPRESSAVG: 427400 -37.9728 -47.4011 5.38737 -48.9492 73.1989 -31.97 4.87697 -31.7484 -27.8984 TIMING: 427400 CPU: 1274.34, 0.00301925/step Wall: 1274.34, 0.00301925/step, 3.83495 hours remaining, 206.960938 MB of memory in use. ENERGY: 427400 750.2546 2089.8112 1938.4682 107.7220 -206260.9410 17686.3089 0.0000 0.0000 34373.3756 -149315.0004 300.1912 -183688.3760 -149214.6119 299.1617 -139.0634 -104.0431 556226.0114 2.7028 2.4426 PRESSURE: 427600 -96.2584 2.35534 75.1342 2.35458 339.307 -170.107 75.1358 -170.105 170.024 GPRESSURE: 427600 30.6037 36.4792 103.961 12.6456 292.293 -183.38 57.2772 -101.138 184.216 PRESSAVG: 427600 -22.4386 -48.3948 7.69537 -48.3948 4.85141 -13.0476 7.69531 -13.0476 19.1496 GPRESSAVG: 427600 -22.6036 -49.3214 9.67885 -48.8648 3.9003 -13.3966 7.04011 -13.1936 20.0797 TIMING: 427600 CPU: 1274.93, 0.00299679/step Wall: 1274.93, 0.00299679/step, 3.80626 hours remaining, 206.960938 MB of memory in use. ENERGY: 427600 713.7082 2140.7891 1932.2132 111.6962 -206589.9799 17988.4408 0.0000 0.0000 34389.0637 -149314.0687 300.3282 -183703.1324 -149225.6956 299.0124 137.6911 169.0376 555557.5288 0.5208 0.4588 PRESSURE: 427800 89.633 20.19 45.243 20.1912 -410.957 1.36914 45.2426 1.36793 103.49 GPRESSURE: 427800 134.048 36.0056 28.8651 34.0284 -406.557 -52.6262 85.492 -66.4963 155.141 PRESSAVG: 427800 32.2957 -14.4367 9.44856 -14.4367 1.64977 24.0141 9.44851 24.0141 -0.295552 GPRESSAVG: 427800 32.1833 -15.2538 9.84146 -11.4134 1.36126 23.9944 7.87851 24.5826 0.440934 TIMING: 427800 CPU: 1275.53, 0.00297443/step Wall: 1275.53, 0.00297443/step, 3.7777 hours remaining, 206.960938 MB of memory in use. ENERGY: 427800 733.2445 2133.3039 1925.1370 109.7903 -206182.2148 17744.0141 0.0000 0.0000 34125.6516 -149411.0734 298.0278 -183536.7249 -149312.9204 298.9727 -72.6114 -39.1230 557149.8609 11.2166 11.3285 PRESSURE: 428000 -85.7673 40.2494 86.4338 40.2497 -118.237 -66.2924 86.4334 -66.2915 52.7758 GPRESSURE: 428000 25.3251 27.0122 69.7236 8.03524 -111.789 -109.341 70.7499 41.5129 38.1925 PRESSAVG: 428000 -57.5664 -21.9309 2.49771 -21.9309 -29.8162 2.28459 2.49771 2.28452 63.034 GPRESSAVG: 428000 -57.8016 -22.1185 1.27277 -23.3129 -28.5865 2.76071 5.31047 3.7181 61.9856 TIMING: 428000 CPU: 1276.12, 0.00297363/step Wall: 1276.12, 0.00297363/step, 3.7765 hours remaining, 206.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 428000 711.4436 2069.6345 1944.0019 113.1309 -206255.2150 17685.7576 0.0000 0.0000 34233.3612 -149497.8854 298.9685 -183731.2466 -149397.8216 298.4254 -50.4096 -16.0906 557590.5768 -8.1162 -8.1342 PRESSURE: 428200 -76.6071 -119.462 -93.7751 -119.462 52.2476 -77.1164 -93.7746 -77.1159 142.531 GPRESSURE: 428200 -6.05456 -129.538 -159.246 -68.1249 34.3849 -45.2218 -47.2987 -121.047 193.399 PRESSAVG: 428200 10.7561 -74.1277 10.8791 -74.1276 -120.019 -49.3365 10.8791 -49.3364 92.1433 GPRESSAVG: 428200 11.4948 -72.1495 9.54469 -74.7654 -121.074 -49.3107 9.23394 -49.7961 92.829 TIMING: 428200 CPU: 1276.72, 0.00297653/step Wall: 1276.72, 0.00297653/step, 3.78003 hours remaining, 206.960938 MB of memory in use. ENERGY: 428200 691.0161 2064.5177 1962.1831 107.9872 -206392.5438 17844.2575 0.0000 0.0000 34226.5583 -149496.0240 298.9090 -183722.5823 -149398.9031 298.2610 39.3904 73.9098 556491.5009 -5.7067 -5.5833 LDB: ============= START OF LOAD BALANCING ============== 1280.27 LDB: ============== END OF LOAD BALANCING =============== 1280.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1280.27 LDB: ============= START OF LOAD BALANCING ============== 1280.57 LDB: Largest compute 4796 load 0.028085 is 23.8% of average load 0.118062 LDB: Average compute 0.001743 is 1.5% of average load 0.118062 LDB: TIME 1280.57 LOAD: AVG 0.118062 MAX 0.205372 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.461 MB LDB: TIME 1280.57 LOAD: AVG 0.118062 MAX 0.205372 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.664 MB LDB: TIME 1280.57 LOAD: AVG 0.118062 MAX 0.205372 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.664 MB LDB: ============== END OF LOAD BALANCING =============== 1280.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1280.58 PRESSURE: 428400 73.9993 -31.5114 -105.511 -31.5121 48.8579 140.187 -105.511 140.185 81.1191 GPRESSURE: 428400 102.183 -59.4212 -233.795 -23.4531 127.782 135.538 -5.84997 121.081 66.8406 PRESSAVG: 428400 32.8483 -67.5537 30.4866 -67.5538 -50.6503 -4.33539 30.4866 -4.3354 47.5913 GPRESSAVG: 428400 32.3164 -70.0756 30.1043 -65.0449 -49.8811 -4.13038 30.3281 -4.91369 47.5608 TIMING: 428400 CPU: 1277.33, 0.00303793/step Wall: 1277.33, 0.00303793/step, 3.85783 hours remaining, 206.691406 MB of memory in use. ENERGY: 428400 743.9377 2111.9253 1941.5747 116.8969 -206597.6971 18076.4764 0.0000 0.0000 34161.4471 -149445.4391 298.3404 -183606.8862 -149357.1987 298.4575 67.9921 98.9354 558719.4824 9.9298 9.9987 PRESSURE: 428600 -328.527 -43.6029 -57.0395 -43.6018 103.025 -28.1106 -57.0388 -28.1123 -361.711 GPRESSURE: 428600 -269.765 -110.218 -78.7927 -76.7188 110.642 37.3081 -14.1523 -79.2231 -348.23 PRESSAVG: 428600 -5.91798 -65.5899 -35.8837 -65.5899 29.2312 -62.0776 -35.8837 -62.0775 -0.317523 GPRESSAVG: 428600 -4.31419 -63.8631 -35.3817 -66.9026 28.9521 -60.399 -34.0861 -62.7141 -1.84734 TIMING: 428600 CPU: 1277.92, 0.00297409/step Wall: 1277.92, 0.00297409/step, 3.77659 hours remaining, 206.691406 MB of memory in use. ENERGY: 428600 736.7052 2063.3659 1949.3052 102.1874 -205814.2395 17588.5616 0.0000 0.0000 33974.3016 -149399.8127 296.7060 -183374.1142 -149306.4887 298.7350 -195.7376 -169.1178 560563.1483 7.6652 7.5969 PRESSURE: 428800 142.536 -52.4827 -36.2805 -52.4822 174.658 -13.8764 -36.2806 -13.875 137.152 GPRESSURE: 428800 196.77 -89.4176 9.66581 -106.673 243.533 29.7902 -125.532 38.6061 114.545 PRESSAVG: 428800 11.33 38.7103 50.0365 38.7103 -43.5791 -61.8328 50.0365 -61.8329 0.183808 GPRESSAVG: 428800 10.5745 36.3614 50.6724 40.2434 -43.2324 -62.5012 49.0094 -61.1835 0.711791 TIMING: 428800 CPU: 1278.52, 0.00300298/step Wall: 1278.52, 0.00300298/step, 3.81312 hours remaining, 206.691406 MB of memory in use. ENERGY: 428800 715.8955 2068.2525 1935.3501 112.8111 -206582.1106 18048.9935 0.0000 0.0000 34423.2767 -149277.5313 300.6270 -183700.8080 -149181.3678 298.8753 151.4489 184.9495 557691.0113 -10.6884 -10.6487 PRESSURE: 429000 -51.956 41.9229 107.785 41.9245 14.4188 134.894 107.784 134.895 -32.7708 GPRESSURE: 429000 -27.5591 66.6655 80.8925 30.6494 84.8197 71.4814 133.4 166.593 -29.0271 PRESSAVG: 429000 2.01093 9.28029 45.8837 9.28025 27.1178 -5.35164 45.8837 -5.35161 -45.4912 GPRESSAVG: 429000 2.49938 11.9094 43.6707 6.40264 25.915 -6.5639 46.7405 -3.95073 -44.1832 TIMING: 429000 CPU: 1279.12, 0.00298854/step Wall: 1279.12, 0.00298854/step, 3.79461 hours remaining, 206.691406 MB of memory in use. ENERGY: 429000 777.0457 2033.3330 1926.3895 125.5601 -206248.4776 17937.6131 0.0000 0.0000 34208.0771 -149240.4593 298.7476 -183448.5364 -149147.4978 298.6784 -23.4360 9.4111 558937.0779 -5.4541 -5.2563 PRESSURE: 429200 -15.7334 -7.27592 182.76 -7.27764 256.655 35.8837 182.761 35.8829 106.758 GPRESSURE: 429200 1.29623 59.7684 126.898 -69.2231 272.907 -22.1215 159.552 55.3788 171.251 PRESSAVG: 429200 16.2936 -73.9872 31.631 -73.9872 37.3372 3.20327 31.6309 3.20335 -16.397 GPRESSAVG: 429200 14.6218 -76.3412 32.75 -71.3708 39.3502 5.47779 32.5859 1.71817 -17.22 TIMING: 429200 CPU: 1279.72, 0.00299051/step Wall: 1279.72, 0.00299051/step, 3.79695 hours remaining, 206.691406 MB of memory in use. ENERGY: 429200 752.1625 2053.3446 1961.6883 113.8450 -206240.9229 17825.4004 0.0000 0.0000 34318.6660 -149215.8160 299.7134 -183534.4820 -149125.1683 299.0651 115.8931 148.4848 556609.5130 12.4113 12.2507 PRESSURE: 429400 -69.1334 -63.8435 199.171 -63.8431 -280.086 52.3909 199.171 52.3913 -69.7521 GPRESSURE: 429400 -49.3766 -81.8829 191.645 -79.4153 -246.29 104.978 205.527 16.3794 -19.7393 PRESSAVG: 429400 1.08984 -46.7095 41.7529 -46.7095 64.8543 45.9922 41.7529 45.9922 -8.14986 GPRESSAVG: 429400 1.30206 -42.9179 41.6738 -49.3933 63.4363 43.1301 41.3621 44.307 -6.59101 TIMING: 429400 CPU: 1280.31, 0.00294294/step Wall: 1280.31, 0.00294294/step, 3.73639 hours remaining, 206.691406 MB of memory in use. ENERGY: 429400 747.9513 2065.5841 1945.3427 109.6541 -205980.1532 17702.1043 0.0000 0.0000 34404.3395 -149005.1772 300.4617 -183409.5167 -148908.2665 299.8877 -139.6572 -105.1352 558139.7592 19.2648 19.3825 PRESSURE: 429600 -0.625173 53.1615 22.6858 53.1614 -104.226 -41.4788 22.6863 -41.4798 -79.8782 GPRESSURE: 429600 9.13867 54.8673 -9.7441 99.9001 -62.5055 -67.8641 -8.20801 -32.4414 -30.4481 PRESSAVG: 429600 6.02246 -19.2714 41.2091 -19.2714 2.07737 26.6863 41.209 26.6863 -12.8392 GPRESSAVG: 429600 7.47293 -22.1474 40.8724 -16.8736 2.50483 26.4213 40.8235 27.8065 -14.3228 TIMING: 429600 CPU: 1280.9, 0.00296837/step Wall: 1280.9, 0.00296837/step, 3.76851 hours remaining, 206.691406 MB of memory in use. ENERGY: 429600 749.0589 2081.9450 1911.8346 116.6229 -205966.9569 17691.2269 0.0000 0.0000 34357.1434 -149059.1252 300.0495 -183416.2687 -148956.8274 300.0482 -61.5763 -27.9383 557508.5614 -1.5798 -1.4484 PRESSURE: 429800 27.2385 15.1259 15.9715 15.125 -8.54498 92.5802 15.9713 92.5822 140.656 GPRESSURE: 429800 64.1655 -41.8344 18.8171 8.40397 27.787 81.5381 -4.76123 167.172 157.225 PRESSAVG: 429800 -24.102 5.97449 19.2753 5.97455 9.05807 25.4554 19.2753 25.4553 13.3285 GPRESSAVG: 429800 -23.768 7.64058 20.1213 4.68865 7.87495 27.7216 19.8078 24.615 14.0823 TIMING: 429800 CPU: 1281.5, 0.00297558/step Wall: 1281.5, 0.00297558/step, 3.7775 hours remaining, 206.691406 MB of memory in use. ENERGY: 429800 707.9220 2095.1028 1906.7996 111.3022 -206287.0548 17853.1679 0.0000 0.0000 34411.7524 -149201.0080 300.5264 -183612.7604 -149103.1314 299.2319 53.1166 83.0590 556665.7416 -0.5718 -0.6036 PRESSURE: 430000 -209.33 111.299 60.4804 111.298 27.7247 -92.7759 60.4788 -92.7768 235.116 GPRESSURE: 430000 -176.828 68.2164 158.992 91.062 81.3388 -78.3292 32.8002 -47.3599 245.229 PRESSAVG: 430000 -6.37558 -45.8079 40.0269 -45.8079 -46.3694 11.5022 40.0269 11.5022 10.48 GPRESSAVG: 430000 -6.18892 -45.4221 39.4262 -46.479 -45.3547 9.30933 39.8077 11.2203 9.76405 TIMING: 430000 CPU: 1282.09, 0.0029772/step Wall: 1282.09, 0.0029772/step, 3.77939 hours remaining, 206.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 430000 746.2192 2019.9461 1924.2901 112.0833 -206226.9665 17891.8165 0.0000 0.0000 34511.8795 -149020.7318 301.4008 -183532.6113 -148923.1633 300.0000 17.8367 49.9133 557031.3576 -14.0883 -13.9265 PRESSURE: 430200 -139.164 -29.1927 -24.5427 -29.1944 -92.9322 -169.196 -24.5421 -169.194 -201.25 GPRESSURE: 430200 -102.683 43.7965 28.1973 -75.0168 -82.2787 -129.441 -69.6172 -183.428 -148.319 PRESSAVG: 430200 52.9907 -14.7023 24.0771 -14.7022 -0.769332 -19.5153 24.0772 -19.5153 -20.3199 GPRESSAVG: 430200 53.6065 -17.2174 23.1598 -13.8704 -2.21757 -18.3384 23.1833 -19.79 -19.2782 TIMING: 430200 CPU: 1282.68, 0.00296449/step Wall: 1282.68, 0.00296449/step, 3.76309 hours remaining, 206.691406 MB of memory in use. ENERGY: 430200 748.9779 2084.8760 1920.0611 116.5968 -205626.5717 17504.2614 0.0000 0.0000 34377.1931 -148874.6053 300.2246 -183251.7984 -148780.1860 300.7229 -144.4489 -111.0934 557231.0598 10.6338 10.7036 PRESSURE: 430400 -221.457 -3.34344 120.702 -3.34319 -203.802 -11.9673 120.702 -11.9647 -125.899 GPRESSURE: 430400 -222.58 38.055 81.7872 50.7673 -187.265 -24.3394 79.2059 47.979 -51.0479 PRESSAVG: 430400 -6.76761 -22.7117 -40.3822 -22.7117 10.9497 -16.5422 -40.3821 -16.5423 -18.448 GPRESSAVG: 430400 -7.53233 -22.1013 -39.19 -22.3358 11.2006 -17.049 -40.8596 -14.2491 -18.1747 TIMING: 430400 CPU: 1283.28, 0.00298261/step Wall: 1283.28, 0.00298261/step, 3.78592 hours remaining, 206.691406 MB of memory in use. ENERGY: 430400 754.8152 2044.5249 1948.2341 120.7439 -205669.1209 17388.1559 0.0000 0.0000 34559.5450 -148853.1020 301.8171 -183412.6470 -148754.3461 300.1366 -183.7196 -153.6311 558178.6783 -4.7553 -4.8355 PRESSURE: 430600 91.098 -77.3955 173.483 -77.3953 -338.266 -165.125 173.484 -165.126 -83.2132 GPRESSURE: 430600 240.268 -38.8983 202.671 -82.5128 -324.319 -109.54 186.828 -153.063 -138.62 PRESSAVG: 430600 -29.3046 -22.6159 20.0746 -22.6159 -17.6554 -43.7992 20.0747 -43.7991 31.4612 GPRESSAVG: 430600 -29.8291 -22.5896 18.7929 -23.6524 -17.0584 -43.2147 21.7479 -44.5029 31.0779 TIMING: 430600 CPU: 1283.88, 0.00299036/step Wall: 1283.88, 0.00299036/step, 3.7956 hours remaining, 206.691406 MB of memory in use. ENERGY: 430600 731.9011 2094.3390 1934.2526 112.6237 -206054.8003 17625.8293 0.0000 0.0000 34591.4492 -148964.4054 302.0957 -183555.8547 -148878.3723 300.5265 -110.1270 -74.2235 557352.5397 -5.1663 -5.2699 PRESSURE: 430800 182.266 -110.278 77.0914 -110.279 308.543 -122.669 77.0907 -122.67 69.4044 GPRESSURE: 430800 217.036 -89.9244 37.4805 -110.287 315.279 -108.072 51.5744 -134.703 126.398 PRESSAVG: 430800 -30.116 18.9715 -11.7877 18.9714 -0.999916 24.5088 -11.7876 24.5087 60.9618 GPRESSAVG: 430800 -29.759 20.2741 -9.30648 18.1095 -0.393061 23.9889 -14.2345 22.5602 60.4792 TIMING: 430800 CPU: 1284.48, 0.00299246/step Wall: 1284.48, 0.00299246/step, 3.7981 hours remaining, 206.691406 MB of memory in use. ENERGY: 430800 737.1774 2097.8815 1932.4605 111.5732 -206211.3278 18158.5610 0.0000 0.0000 34276.3888 -148897.2854 299.3442 -183173.6742 -148798.7483 299.9268 186.7380 219.5712 557873.4756 9.9486 10.1091 PRESSURE: 431000 -376.348 80.6761 -202.664 80.6762 -18.1832 21.3937 -202.664 21.3925 25.1869 GPRESSURE: 431000 -359.877 123.511 -277.168 85.7668 34.7373 17.6685 -151.76 8.24221 53.4958 PRESSAVG: 431000 -25.7436 -35.783 -32.0944 -35.7829 33.4066 -66.9501 -32.0944 -66.9502 12.1223 GPRESSAVG: 431000 -25.8034 -34.8948 -32.997 -36.6607 32.8797 -65.9226 -30.5606 -66.6444 12.273 TIMING: 431000 CPU: 1285.08, 0.00299142/step Wall: 1285.08, 0.00299142/step, 3.79661 hours remaining, 206.691406 MB of memory in use. ENERGY: 431000 756.3649 2084.5637 1941.4542 103.0690 -206128.2574 17755.6745 0.0000 0.0000 34531.2184 -148955.9126 301.5697 -183487.1310 -148857.3864 300.5249 -123.1148 -90.5479 558955.3904 6.5951 6.4497 PRESSURE: 431200 189.113 98.6338 93.0118 98.6332 156.111 -102.877 93.0132 -102.877 68.4001 GPRESSURE: 431200 175.7 62.2068 102.626 87.62 176.507 -91.3523 41.2561 -93.1928 158.534 PRESSAVG: 431200 -16.1556 -9.74282 -18.7449 -9.74291 39.9164 -29.0506 -18.745 -29.0505 -12.621 GPRESSAVG: 431200 -15.5489 -11.1556 -17.608 -7.0916 39.0322 -29.7286 -20.2193 -29.0699 -12.2986 TIMING: 431200 CPU: 1285.68, 0.00300836/step Wall: 1285.68, 0.00300836/step, 3.81794 hours remaining, 206.691406 MB of memory in use. ENERGY: 431200 739.2312 2094.1345 1925.8868 118.2434 -205911.0722 17811.5174 0.0000 0.0000 34375.5854 -148846.4736 300.2105 -183222.0590 -148753.5350 299.9428 137.8746 170.2473 558237.6583 3.7133 3.7282 PRESSURE: 431400 73.8648 -130.419 -21.0414 -130.42 126.669 -2.92022 -21.0423 -2.91982 259.732 GPRESSURE: 431400 151.867 -104.407 -122.592 -69.3524 175.243 33.4226 34.3936 29.6758 234.602 PRESSAVG: 431400 38.1756 3.36113 -53.975 3.36108 -19.4301 -23.0305 -53.975 -23.0304 -4.48435 GPRESSAVG: 431400 37.5515 3.77569 -53.9558 3.39604 -19.2992 -22.2481 -53.3163 -22.3601 -4.0761 TIMING: 431400 CPU: 1286.27, 0.00298787/step Wall: 1286.27, 0.00298787/step, 3.79177 hours remaining, 206.667969 MB of memory in use. ENERGY: 431400 728.4408 2114.7898 1953.5756 107.0223 -206201.7461 17933.7557 0.0000 0.0000 34408.2273 -148955.9346 300.4956 -183364.1619 -148859.5671 300.0215 153.4218 187.2375 556934.9617 4.7537 4.7254 PRESSURE: 431600 39.206 112.739 37.2128 112.739 335.68 -64.1166 37.2126 -64.1178 134.927 GPRESSURE: 431600 28.6157 113.663 58.4785 110.003 404.208 -38.6209 13.5776 -76.1323 175.342 PRESSAVG: 431600 2.2247 48.9112 3.48481 48.9112 11.6293 -6.94475 3.48486 -6.94477 -18.4993 GPRESSAVG: 431600 3.63847 50.2535 0.642556 46.3572 11.1703 -6.84863 4.94901 -7.66735 -19.6735 TIMING: 431600 CPU: 1286.88, 0.00300998/step Wall: 1286.88, 0.00300998/step, 3.81966 hours remaining, 206.667969 MB of memory in use. ENERGY: 431600 755.3736 2044.1127 1927.8376 131.0238 -205987.9977 18003.3899 0.0000 0.0000 34188.1285 -148938.1315 298.5734 -183126.2600 -148845.4336 299.9240 169.9376 202.7220 557608.8331 -1.5484 -1.6216 PRESSURE: 431800 -32.2358 1.3262 -145.73 1.32551 -182.796 -102.971 -145.729 -102.971 -233.333 GPRESSURE: 431800 -14.2068 36.4933 -99.0799 -17.7086 -158.192 -82.0219 -149.154 -66.7986 -166.297 PRESSAVG: 431800 -11.5605 -71.5986 -28.4673 -71.5987 15.2208 -22.5424 -28.4672 -22.5424 -4.57622 GPRESSAVG: 431800 -13.2958 -73.6665 -28.7062 -68.7903 15.3812 -24.0234 -28.6561 -20.0723 -2.53461 TIMING: 431800 CPU: 1287.49, 0.00304431/step Wall: 1287.49, 0.00304431/step, 3.86306 hours remaining, 206.667969 MB of memory in use. ENERGY: 431800 729.6121 2063.7234 1950.0606 115.7140 -205775.0810 17644.2592 0.0000 0.0000 34271.1511 -149000.5605 299.2985 -183271.7117 -148898.5033 299.6199 -149.4551 -112.8985 559321.1906 -0.3053 -0.1497 PRESSURE: 432000 91.1156 -6.25776 97.6602 -6.25782 -12.2272 22.1368 97.6598 22.1377 -155.935 GPRESSURE: 432000 96.2895 -39.0313 76.9142 25.8148 24.7671 -38.4551 128.722 -40.4616 -91.9125 PRESSAVG: 432000 55.3469 13.2585 15.743 13.2585 -15.3881 -23.7082 15.743 -23.7081 -53.0344 GPRESSAVG: 432000 55.2785 12.5713 18.0218 11.9749 -13.1588 -24.7873 15.6852 -24.0474 -54.6659 TIMING: 432000 CPU: 1288.09, 0.00300371/step Wall: 1288.09, 0.00300371/step, 3.81137 hours remaining, 206.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 432000 776.4120 2083.2997 1941.7656 112.3492 -206485.3665 18070.4269 0.0000 0.0000 34304.2474 -149196.8655 299.5875 -183501.1130 -149109.4351 299.6430 -25.6820 9.7147 558526.7429 -4.3585 -4.1821 PRESSURE: 432200 -23.7838 113.071 50.5202 113.071 119.521 -182.523 50.5206 -182.523 -37.5453 GPRESSURE: 432200 38.3064 97.7116 22.7402 84.1195 144.702 -194.261 44.9035 -231.414 -29.768 PRESSAVG: 432200 -33.0814 -14.0024 1.83075 -14.0024 30.1601 -36.1379 1.8307 -36.1378 15.2781 GPRESSAVG: 432200 -31.6552 -11.943 0.947427 -15.2062 28.4198 -35.235 1.51313 -35.9895 15.8347 TIMING: 432200 CPU: 1288.68, 0.00297213/step Wall: 1288.68, 0.00297213/step, 3.77114 hours remaining, 206.667969 MB of memory in use. ENERGY: 432200 736.6863 2040.0387 1967.5279 111.2776 -206164.0186 17810.0081 0.0000 0.0000 34225.8995 -149272.5805 298.9033 -183498.4800 -149170.2406 299.6572 19.3971 51.0801 557363.2007 4.1189 4.1998 LDB: ============= START OF LOAD BALANCING ============== 1292.23 LDB: ============== END OF LOAD BALANCING =============== 1292.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1292.23 LDB: ============= START OF LOAD BALANCING ============== 1292.53 LDB: Largest compute 4796 load 0.028763 is 24.4% of average load 0.118031 LDB: Average compute 0.001746 is 1.5% of average load 0.118031 LDB: TIME 1292.53 LOAD: AVG 0.118031 MAX 0.20585 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.949 MB LDB: TIME 1292.53 LOAD: AVG 0.118031 MAX 0.20585 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.953 MB LDB: TIME 1292.53 LOAD: AVG 0.118031 MAX 0.20585 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.953 MB LDB: ============== END OF LOAD BALANCING =============== 1292.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1292.54 PRESSURE: 432400 -169.871 -97.59 -54.7109 -97.5898 -129.671 -111.249 -54.7109 -111.251 -139.736 GPRESSURE: 432400 -133.885 -140.135 -100.582 -79.4538 -116.603 -110.38 15.1576 -133.442 -95.1474 PRESSAVG: 432400 17.4889 -60.842 -29.1803 -60.8421 -33.0975 1.01423 -29.1803 1.01423 -18.45 GPRESSAVG: 432400 17.7079 -61.7401 -30.0378 -60.1282 -32.2254 1.79607 -27.4732 -0.193868 -19.6609 TIMING: 432400 CPU: 1289.29, 0.00303079/step Wall: 1289.29, 0.00303079/step, 3.8454 hours remaining, 206.667969 MB of memory in use. ENERGY: 432400 749.5206 2028.7895 1933.1575 104.3449 -205998.6386 17716.1404 0.0000 0.0000 34348.6792 -149118.0065 299.9756 -183466.6857 -149019.3529 299.2050 -146.4258 -115.2118 559136.5653 -11.3529 -11.3928 PRESSURE: 432600 -135.156 79.4224 -182.25 79.4238 -51.8414 21.8283 -182.251 21.8287 48.5384 GPRESSURE: 432600 -77.3576 165.442 -168.125 73.9231 3.44903 29.5468 -169.495 -15.6666 50.3301 PRESSAVG: 432600 32.534 -12.7082 -15.7393 -12.7082 -47.965 -12.6034 -15.7393 -12.6035 -9.52356 GPRESSAVG: 432600 31.0132 -13.5095 -12.6161 -11.6209 -48.0405 -12.4729 -18.7173 -11.7243 -7.31894 TIMING: 432600 CPU: 1289.88, 0.00298211/step Wall: 1289.88, 0.00298211/step, 3.78347 hours remaining, 206.667969 MB of memory in use. ENERGY: 432600 707.8913 2005.3188 1908.1966 103.5040 -206024.6864 17715.6533 0.0000 0.0000 34381.9615 -149202.1609 300.2662 -183584.1224 -149103.6117 299.4472 -46.1530 -7.8595 558101.5020 -8.3182 -8.1154 PRESSURE: 432800 -128.079 -42.9789 -51.4615 -42.9796 43.1697 -181.672 -51.4605 -181.671 31.6874 GPRESSURE: 432800 -168.719 -32.8484 -25.801 -48.5014 100.47 -114.972 -11.873 -166.382 123.885 PRESSAVG: 432800 -46.0385 16.1968 16.1297 16.1969 17.0982 -17.617 16.1297 -17.6171 42.2425 GPRESSAVG: 432800 -45.5203 16.9847 14.7875 16.2776 17.0363 -17.6574 17.1541 -16.6798 42.0126 TIMING: 432800 CPU: 1290.48, 0.00297613/step Wall: 1290.48, 0.00297613/step, 3.77572 hours remaining, 206.667969 MB of memory in use. ENERGY: 432800 702.3646 2034.4200 1909.1394 124.8250 -206085.2303 17644.2903 0.0000 0.0000 34333.8153 -149336.3758 299.8457 -183670.1910 -149236.7045 299.3924 -17.7405 18.5452 558704.7360 4.4341 4.5095 PRESSURE: 433000 -24.1775 -114.396 -64.4733 -114.397 -95.3087 1.98063 -64.4733 1.98098 -43.0909 GPRESSURE: 433000 -17.0218 -29.7333 -69.3314 -150.648 -85.3459 -170.735 -10.6513 -10.4344 37.1173 PRESSAVG: 433000 -43.7009 -73.6917 32.5705 -73.6917 2.70359 -42.5422 32.5705 -42.542 15.3469 GPRESSAVG: 433000 -43.6927 -74.3478 32.4729 -74.731 2.41148 -41.1227 32.9468 -42.3446 15.1319 TIMING: 433000 CPU: 1291.07, 0.00296218/step Wall: 1291.07, 0.00296218/step, 3.75786 hours remaining, 206.667969 MB of memory in use. ENERGY: 433000 703.1414 2118.4462 1910.2451 112.6999 -206156.3981 17763.9862 0.0000 0.0000 34263.5519 -149284.3274 299.2321 -183547.8793 -149189.5573 299.0609 -54.1924 -21.7501 558361.9840 -8.5501 -8.7164 PRESSURE: 433200 -347.944 -79.5575 -181.358 -79.5579 -12.4747 122.997 -181.358 122.999 117.443 GPRESSURE: 433200 -256.387 -118.231 -96.3649 -33.6592 -54.15 233.406 -263.718 38.9099 164.637 PRESSAVG: 433200 -69.6107 -25.2657 8.24032 -25.2658 -19.1017 16.2207 8.24045 16.2207 41.4982 GPRESSAVG: 433200 -67.9685 -25.9589 9.38219 -24.9087 -19.7177 14.0587 7.40995 16.7968 39.951 TIMING: 433200 CPU: 1291.66, 0.0029625/step Wall: 1291.66, 0.0029625/step, 3.75809 hours remaining, 206.667969 MB of memory in use. ENERGY: 433200 728.3380 2066.0611 1951.2477 132.3633 -206456.0750 17841.4594 0.0000 0.0000 34243.0477 -149493.5578 299.0531 -183736.6055 -149401.4565 298.6668 -80.9916 -48.6335 557351.3740 -15.7381 -15.9117 PRESSURE: 433400 -108.061 -90.7283 -156.49 -90.7278 90.9114 43.3489 -156.491 43.3506 24.5684 GPRESSURE: 433400 -43.1026 -65.5759 -160.226 -121.812 72.3866 115.638 -150.64 29.4399 80.3445 PRESSAVG: 433400 -49.178 5.28307 -12.8532 5.28298 32.3321 24.8336 -12.8532 24.8337 37.4921 GPRESSAVG: 433400 -48.8879 5.79683 -11.4876 6.12917 32.0767 27.7717 -13.4209 21.9106 38.0834 TIMING: 433400 CPU: 1292.26, 0.00298374/step Wall: 1292.26, 0.00298374/step, 3.78488 hours remaining, 206.667969 MB of memory in use. ENERGY: 433400 735.2611 2071.4835 1949.3823 108.9303 -206433.2304 17804.8074 0.0000 0.0000 34270.5764 -149492.7892 299.2935 -183763.3656 -149399.1114 298.8933 2.4729 36.5428 557351.7313 6.8821 7.0907 PRESSURE: 433600 186.389 72.9984 -66.6453 72.9968 210.991 294.847 -66.6464 294.846 47.7941 GPRESSURE: 433600 197.795 26.8962 -68.5594 92.7078 249.975 254.929 20.2907 271.711 89.7901 PRESSAVG: 433600 -13.6072 -3.83929 -15.6698 -3.8394 -16.9178 51.0387 -15.6699 51.0387 1.73083 GPRESSAVG: 433600 -14.5335 -4.37623 -19.5182 -3.25445 -16.363 50.8847 -15.5753 52.681 2.52447 TIMING: 433600 CPU: 1292.85, 0.00295908/step Wall: 1292.85, 0.00295908/step, 3.75342 hours remaining, 206.667969 MB of memory in use. ENERGY: 433600 734.7598 2136.5242 1946.4787 106.5794 -206520.4497 17967.8751 0.0000 0.0000 34194.3594 -149433.8731 298.6278 -183628.2325 -149346.4659 298.6983 148.3916 179.1868 556208.1905 -9.5981 -9.4574 PRESSURE: 433800 127.368 180.467 12.0686 180.467 -111.198 188.704 12.0686 188.705 27.2722 GPRESSURE: 433800 140.793 96.657 -6.06542 250.03 -71.5571 171.972 -5.80764 201.684 73.9502 PRESSAVG: 433800 -13.0256 43.9725 -0.746365 43.9724 -38.3691 23.5384 -0.746356 23.5385 76.6472 GPRESSAVG: 433800 -12.6624 43.6243 -0.57655 43.2147 -38.3131 23.0711 1.53644 22.7962 76.0873 TIMING: 433800 CPU: 1293.45, 0.00297891/step Wall: 1293.45, 0.00297891/step, 3.77841 hours remaining, 206.667969 MB of memory in use. ENERGY: 433800 762.1568 2077.5016 1954.5513 109.4240 -206204.5160 17727.8975 0.0000 0.0000 34173.3183 -149399.6665 298.4441 -183572.9848 -149301.4332 298.7895 14.4810 47.7288 555643.0107 8.4175 8.3706 PRESSURE: 434000 123.184 108.269 -41.6729 108.27 -119.945 109.77 -41.6723 109.771 11.7459 GPRESSURE: 434000 97.6018 142.518 -17.5252 94.4887 -46.2408 127.588 16.8051 93.5804 71.3162 PRESSAVG: 434000 -0.0912568 -22.2022 -22.5215 -22.2022 -33.8107 31.0065 -22.5214 31.0064 14.4227 GPRESSAVG: 434000 -1.20851 -20.8907 -21.3283 -20.7107 -32.7423 33.232 -22.3473 32.8881 14.8257 TIMING: 434000 CPU: 1294.04, 0.00296861/step Wall: 1294.04, 0.00296861/step, 3.76519 hours remaining, 206.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 434000 727.3973 2087.6686 1938.2126 110.2901 -206370.7589 17806.0235 0.0000 0.0000 34378.1925 -149322.9742 300.2333 -183701.1668 -149222.5869 298.4121 4.9951 40.8924 556775.0116 -6.4931 -6.3751 PRESSURE: 434200 -92.0543 18.4562 -183.602 18.4573 -284.854 -166.125 -183.601 -166.126 -194.839 GPRESSURE: 434200 -22.6173 -34.6842 -213.324 100.474 -325.327 -194.271 -279.65 -129.977 -114.961 PRESSAVG: 434200 -10.2369 12.1319 -8.52056 12.1319 -60.9519 34.7645 -8.52057 34.7644 52.81 GPRESSAVG: 434200 -8.53689 10.3799 -6.84844 11.6519 -62.8384 31.0731 -11.8389 34.2826 52.7874 TIMING: 434200 CPU: 1294.64, 0.0029761/step Wall: 1294.64, 0.0029761/step, 3.77452 hours remaining, 206.667969 MB of memory in use. ENERGY: 434200 727.4233 2117.1607 1976.3443 109.2199 -205939.3208 17520.5176 0.0000 0.0000 34254.5819 -149234.0731 299.1538 -183488.6550 -149144.2452 299.1557 -190.5826 -154.3018 557822.3322 -6.1263 -6.1960 PRESSURE: 434400 166.105 92.1944 -100.028 92.1951 88.5253 -115.09 -100.028 -115.091 210.121 GPRESSURE: 434400 208.367 66.763 -61.1511 159.291 123.841 -187.671 -78.3251 -58.6101 221.976 PRESSAVG: 434400 -47.2328 -14.3786 -56.2729 -14.3786 -60.2965 -21.8621 -56.273 -21.8621 67.1806 GPRESSAVG: 434400 -47.1286 -12.5488 -57.4344 -14.7349 -59.7121 -22.4173 -55.1508 -22.2191 66.4214 TIMING: 434400 CPU: 1295.23, 0.00296632/step Wall: 1295.23, 0.00296632/step, 3.76195 hours remaining, 206.667969 MB of memory in use. ENERGY: 434400 727.1534 2169.4022 1947.7821 110.7957 -206599.3985 18116.2711 0.0000 0.0000 34337.4140 -149190.5800 299.8772 -183527.9940 -149108.1488 299.8413 154.9171 184.7282 556249.4247 -13.4495 -13.4731 PRESSURE: 434600 -27.4546 -54.141 97.2251 -54.1408 -122.382 -13.5321 97.2244 -13.5311 -152.362 GPRESSURE: 434600 37.8496 -7.05632 101.218 -72.0016 -112.328 -103.523 103.458 8.1263 -126.03 PRESSAVG: 434600 43.7222 10.0129 -14.3056 10.0128 -38.5606 -41.9438 -14.3056 -41.9437 17.8639 GPRESSAVG: 434600 44.4312 11.0722 -15.0801 9.28538 -38.1162 -40.2087 -14.0473 -43.1422 16.8827 TIMING: 434600 CPU: 1295.82, 0.00297408/step Wall: 1295.82, 0.00297408/step, 3.77162 hours remaining, 206.667969 MB of memory in use. ENERGY: 434600 755.0974 2115.9748 1963.8205 108.2703 -206229.2486 17715.1183 0.0000 0.0000 34305.7332 -149265.2340 299.6005 -183570.9672 -149165.1459 299.5610 -100.7330 -66.8363 559038.9318 7.6752 7.7326 PRESSURE: 434800 337.583 -99.4206 -111.183 -99.4201 32.0785 -70.8683 -111.182 -70.8689 -84.0831 GPRESSURE: 434800 305.712 -51.7696 -142.343 -61.561 63.7938 -105.106 -91.1516 -78.1811 20.0953 PRESSAVG: 434800 -69.6303 16.9822 9.15751 16.9821 25.4868 -34.812 9.15747 -34.812 13.6744 GPRESSAVG: 434800 -70.7984 14.0815 10.2093 15.7682 25.1771 -34.1292 9.24083 -34.3634 15.22 TIMING: 434800 CPU: 1296.42, 0.00299223/step Wall: 1296.42, 0.00299223/step, 3.79448 hours remaining, 206.667969 MB of memory in use. ENERGY: 434800 714.9694 2076.6821 1939.8527 112.3335 -206390.0312 17931.9270 0.0000 0.0000 34229.7769 -149384.4896 298.9372 -183614.2665 -149288.2632 298.7701 95.1928 129.8672 556395.8922 -10.1564 -10.1338 PRESSURE: 435000 -129.242 -10.3413 144.157 -10.3424 226.567 -96.425 144.156 -96.4272 -187.013 GPRESSURE: 435000 -86.8262 31.8529 180.968 -73.0866 203.801 -127.076 179.872 -94.0914 -115.157 PRESSAVG: 435000 8.23565 0.316043 -29.912 0.315983 -23.6583 -9.16097 -29.912 -9.16105 -28.9099 GPRESSAVG: 435000 7.81692 1.00393 -29.7155 2.47927 -23.8709 -8.38268 -30.4604 -10.4528 -28.6951 TIMING: 435000 CPU: 1297.02, 0.0029956/step Wall: 1297.02, 0.0029956/step, 3.79858 hours remaining, 206.667969 MB of memory in use. ENERGY: 435000 761.9615 2123.1436 1939.4508 98.8813 -206503.6348 17877.6055 0.0000 0.0000 34346.3673 -149356.2248 299.9554 -183702.5921 -149258.2418 299.2982 -29.8961 0.6058 557185.9638 -14.7775 -14.9163 PRESSURE: 435200 120.716 -60.676 -28.2941 -60.6758 22.3451 -213.765 -28.295 -213.765 10.3364 GPRESSURE: 435200 206.541 -18.5911 -48.5106 -75.6462 48.0403 -178.541 -21.5411 -196.256 -3.12613 PRESSAVG: 435200 55.1178 -26.4566 22.2651 -26.4565 11.4241 -14.3642 22.2651 -14.3643 -33.3271 GPRESSAVG: 435200 55.7283 -25.7687 21.4566 -26.6892 11.6997 -15.5127 22.7662 -12.6412 -34.4038 TIMING: 435200 CPU: 1297.62, 0.00299353/step Wall: 1297.62, 0.00299353/step, 3.79579 hours remaining, 206.667969 MB of memory in use. ENERGY: 435200 728.0691 2142.4536 1945.3205 103.3475 -206207.5795 17777.5397 0.0000 0.0000 34243.6244 -149267.2248 299.0581 -183510.8492 -149170.8754 299.0065 51.1326 83.8183 557099.4364 11.0716 11.0080 PRESSURE: 435400 20.687 77.0507 154.923 77.0509 -14.8349 170.988 154.924 170.988 -126.365 GPRESSURE: 435400 28.9874 32.9192 174.103 69.9197 41.2344 294.481 160.73 107.411 -82.7082 PRESSAVG: 435400 -11.6654 -66.729 4.05036 -66.729 1.41959 -49.7851 4.05039 -49.7851 -28.8554 GPRESSAVG: 435400 -11.5383 -68.373 4.11404 -67.7767 -0.131776 -49.3892 3.96532 -49.6446 -27.2545 TIMING: 435400 CPU: 1298.22, 0.00301605/step Wall: 1298.22, 0.00301605/step, 3.82419 hours remaining, 206.667969 MB of memory in use. ENERGY: 435400 731.7800 2144.3144 1952.9348 116.7507 -205877.5471 17692.8142 0.0000 0.0000 33905.2754 -149333.6776 296.1032 -183238.9530 -149234.7159 298.7642 -40.1709 -4.1621 558840.7185 -13.0337 -12.9749 PRESSURE: 435600 136.855 63.0055 -75.1262 63.0064 -215.472 -9.05983 -75.1273 -9.05976 -229.382 GPRESSURE: 435600 189.102 27.1879 -130.696 58.0086 -206.374 -27.4874 -74.0971 -31.4026 -192.478 PRESSAVG: 435600 39.0132 -74.1601 -34.9731 -74.1601 14.3596 -71.4192 -34.9731 -71.4192 -24.9001 GPRESSAVG: 435600 38.6389 -73.3909 -36.1016 -74.4227 14.8869 -71.987 -32.8852 -72.8215 -25.2984 TIMING: 435600 CPU: 1298.82, 0.0030021/step Wall: 1298.82, 0.0030021/step, 3.80633 hours remaining, 206.667969 MB of memory in use. ENERGY: 435600 776.3827 2158.1977 1959.1021 116.2141 -206330.4887 17715.7988 0.0000 0.0000 34134.6195 -149470.1738 298.1061 -183604.7933 -149375.6587 298.6929 -102.6662 -69.9165 556326.9893 9.4909 9.4091 PRESSURE: 435800 49.1027 -15.0936 -107.851 -15.0927 -150.974 -57.715 -107.85 -57.7159 44.5244 GPRESSURE: 435800 111.504 -109.852 -123.407 22.0931 -117.66 -49.733 -84.4224 -74.0891 56.0173 PRESSAVG: 435800 36.6183 -53.3014 0.413228 -53.3015 -55.2368 -3.70337 0.413155 -3.70339 -17.073 GPRESSAVG: 435800 35.7816 -54.8974 2.21304 -53.9836 -54.501 -5.7382 -3.12879 -1.39522 -16.5284 TIMING: 435800 CPU: 1299.42, 0.00298698/step Wall: 1299.42, 0.00298698/step, 3.78699 hours remaining, 206.667969 MB of memory in use. ENERGY: 435800 750.2304 2103.4984 1932.7274 112.3526 -206316.8510 17942.1388 0.0000 0.0000 34185.4091 -149290.4943 298.5497 -183475.9035 -149201.0353 298.6078 -19.1155 16.6205 558154.2651 -11.8972 -11.7493 PRESSURE: 436000 -278.812 -72.6692 12.7558 -72.6696 -27.7405 -200.129 12.7571 -200.132 -114.499 GPRESSURE: 436000 -217.282 -7.45698 48.6482 -18.5223 -70.1129 -198.379 -66.8516 -199.819 -58.6739 PRESSAVG: 436000 53.0856 -20.9754 -18.7981 -20.9755 -62.468 42.2941 -18.798 42.2942 61.727 GPRESSAVG: 436000 54.5044 -18.3001 -19.2971 -20.8752 -63.9783 42.7522 -19.319 41.6691 61.7362 TIMING: 436000 CPU: 1300.01, 0.00296331/step Wall: 1300.01, 0.00296331/step, 3.75682 hours remaining, 206.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 436000 739.8953 2056.7985 1938.2434 115.0722 -205948.5749 17653.5041 0.0000 0.0000 34215.1125 -149229.9489 298.8091 -183445.0614 -149135.7950 299.6422 -140.3506 -115.3562 559321.0984 17.4482 17.4208 PRESSURE: 436200 -54.3971 39.6064 -17.3688 39.6063 54.6038 -67.8599 -17.3683 -67.8597 -291.005 GPRESSURE: 436200 -35.7225 144.161 39.8536 -87.9535 107.262 -146.197 -21.9639 -65.6304 -262.091 PRESSAVG: 436200 -4.57172 -43.9424 -24.6201 -43.9425 -10.9685 -34.8116 -24.62 -34.8116 -5.32956 GPRESSAVG: 436200 -3.83399 -42.7627 -25.517 -44.6988 -9.76108 -33.4382 -22.3591 -34.9748 -6.88807 TIMING: 436200 CPU: 1300.61, 0.00297835/step Wall: 1300.61, 0.00297835/step, 3.77572 hours remaining, 206.667969 MB of memory in use. ENERGY: 436200 775.8065 2026.7512 1938.9081 112.4323 -205746.2706 17797.6509 0.0000 0.0000 34171.2131 -148923.5085 298.4257 -183094.7216 -148822.2966 300.0211 -96.9327 -63.5173 559070.2103 -6.9566 -6.8277 LDB: ============= START OF LOAD BALANCING ============== 1304.16 LDB: ============== END OF LOAD BALANCING =============== 1304.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1304.16 LDB: ============= START OF LOAD BALANCING ============== 1304.46 LDB: Largest compute 4796 load 0.028263 is 23.9% of average load 0.118040 LDB: Average compute 0.001742 is 1.5% of average load 0.118040 LDB: TIME 1304.46 LOAD: AVG 0.11804 MAX 0.205759 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.668 MB LDB: TIME 1304.46 LOAD: AVG 0.11804 MAX 0.205759 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.668 MB LDB: TIME 1304.46 LOAD: AVG 0.11804 MAX 0.205759 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.668 MB LDB: ============== END OF LOAD BALANCING =============== 1304.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1304.47 PRESSURE: 436400 -188.347 78.6938 22.8738 78.6943 -65.2307 104.509 22.8725 104.508 72.5197 GPRESSURE: 436400 -140.234 65.7425 -1.91788 14.0215 -60.1937 133.146 -29.6816 152.683 116.015 PRESSAVG: 436400 -57.6753 12.3357 26.3657 12.3356 34.293 -3.94675 26.3658 -3.94673 5.175 GPRESSAVG: 436400 -58.315 11.2606 26.5899 13.2178 34.2747 -3.33189 26.926 -4.0303 5.45935 TIMING: 436400 CPU: 1301.22, 0.0030354/step Wall: 1301.22, 0.0030354/step, 3.84788 hours remaining, 207.179688 MB of memory in use. ENERGY: 436400 726.2227 2060.5788 1935.0456 116.1646 -205832.4541 17689.6479 0.0000 0.0000 34375.0739 -148929.7205 300.2061 -183304.7944 -148829.8793 300.2568 -60.3527 -28.1374 558824.4986 -6.0691 -6.1936 PRESSURE: 436600 -189.758 40.6963 93.9712 40.696 -77.6738 27.9255 93.971 27.9255 36.5359 GPRESSURE: 436600 -249.627 75.6092 48.6377 51.7692 -31.5482 60.575 88.3977 -30.0738 146.001 PRESSAVG: 436600 -73.6882 -22.4463 -29.7727 -22.4463 -10.3715 -34.1679 -29.7728 -34.1679 37.6223 GPRESSAVG: 436600 -74.4288 -23.2697 -30.9487 -24.3509 -11.2984 -34.7837 -29.9316 -33.5956 39.7971 TIMING: 436600 CPU: 1301.81, 0.00296725/step Wall: 1301.81, 0.00296725/step, 3.76132 hours remaining, 207.437500 MB of memory in use. ENERGY: 436600 769.3021 2080.2253 1928.2100 101.8683 -205772.8540 17695.2575 0.0000 0.0000 34252.3077 -148945.6831 299.1339 -183197.9908 -148846.1478 300.2377 -76.9653 -45.0578 558711.4024 -15.4791 -15.3101 PRESSURE: 436800 -59.7413 -216.542 28.7804 -216.542 183.533 63.8142 28.7802 63.8167 -109.093 GPRESSURE: 436800 86.3257 -158.758 136.694 -241.756 198.95 68.9099 29.2656 108.035 -158.021 PRESSAVG: 436800 75.2022 2.61068 -16.9994 2.61065 -10.1 26.2971 -16.9994 26.2972 -51.3641 GPRESSAVG: 436800 75.6514 2.93218 -18.0362 3.6025 -9.34406 25.4927 -16.709 25.7993 -52.3962 TIMING: 436800 CPU: 1302.4, 0.00295932/step Wall: 1302.4, 0.00295932/step, 3.7511 hours remaining, 207.437500 MB of memory in use. ENERGY: 436800 781.1644 2111.3562 1923.8225 112.2062 -206286.2960 17937.0606 0.0000 0.0000 34241.7176 -149178.9685 299.0414 -183420.6861 -149088.2794 300.2661 4.8996 42.4181 556151.5137 4.5794 4.6371 PRESSURE: 437000 -103.122 -11.535 -6.07295 -11.5359 151.793 89.214 -6.07338 89.215 244.45 GPRESSURE: 437000 -58.4512 -1.77532 3.81139 -28.3509 142.464 69.95 25.711 55.5577 304.308 PRESSAVG: 437000 -66.2396 -38.7312 13.3616 -38.7313 45.1207 46.7233 13.3616 46.7233 42.383 GPRESSAVG: 437000 -65.9256 -39.8839 15.2054 -37.7186 46.1606 48.4751 12.3893 44.122 41.4679 TIMING: 437000 CPU: 1303, 0.00296251/step Wall: 1303, 0.00296251/step, 3.75498 hours remaining, 207.496094 MB of memory in use. ENERGY: 437000 725.9279 2064.8204 1921.6504 101.4660 -206597.2166 18109.9197 0.0000 0.0000 34480.9577 -149192.4744 301.1308 -183673.4321 -149099.0904 298.8918 97.7073 129.4404 557820.7938 7.0880 7.2343 PRESSURE: 437200 -266.523 56.3164 -211.55 56.3179 32.1281 -41.3592 -211.551 -41.3589 23.4522 GPRESSURE: 437200 -270.965 120.717 -113.141 73.0687 71.6856 -82.4065 -250.025 -74.7474 82.8695 PRESSAVG: 437200 21.5359 -27.7953 15.1956 -27.7953 24.9184 -53.9767 15.1956 -53.9766 -8.23466 GPRESSAVG: 437200 21.9956 -26.3524 15.7115 -28.1775 24.157 -54.7233 14.7271 -51.0608 -7.21048 TIMING: 437200 CPU: 1303.59, 0.00297505/step Wall: 1303.59, 0.00297505/step, 3.77071 hours remaining, 207.496094 MB of memory in use. ENERGY: 437200 719.2541 2071.5673 1914.4407 108.8458 -205925.7894 17619.0808 0.0000 0.0000 34329.3552 -149163.2454 299.8068 -183492.6006 -149070.6659 299.1490 -70.3143 -38.8034 558711.1381 12.7399 12.9807 PRESSURE: 437400 64.2651 29.4262 80.68 29.4244 -191.54 -26.5202 80.6799 -26.5195 -71.7655 GPRESSURE: 437400 75.678 -57.7608 128.053 39.2526 -163.808 -68.1823 64.7713 30.5437 -23.1272 PRESSAVG: 437400 -18.7898 -8.77681 -36.465 -8.77692 -42.7927 42.1691 -36.4651 42.1691 22.8494 GPRESSAVG: 437400 -17.7825 -11.3434 -36.584 -7.91055 -43.927 43.2458 -37.0175 41.2781 22.8885 TIMING: 437400 CPU: 1304.19, 0.00297422/step Wall: 1304.19, 0.00297422/step, 3.7695 hours remaining, 207.496094 MB of memory in use. ENERGY: 437400 714.7472 2093.4025 1921.8686 106.3507 -206031.1235 17803.6671 0.0000 0.0000 34151.9880 -149239.0994 298.2578 -183391.0874 -149142.2021 299.2975 -66.3468 -37.0859 559005.6945 -12.9110 -12.9404 PRESSURE: 437600 138.507 -43.7294 -75.4752 -43.7302 48.0906 184.937 -75.4756 184.935 -70.6832 GPRESSURE: 437600 174.32 -49.0376 -83.9146 -99.4532 104.207 255.485 -91.3688 25.2037 -55.9327 PRESSAVG: 437600 0.698957 -4.6055 13.4175 -4.60557 -34.7759 1.59894 13.4176 1.59891 34.324 GPRESSAVG: 437600 -0.866932 -1.91394 14.1054 -6.16412 -32.6876 0.508874 14.0316 1.01547 33.9193 TIMING: 437600 CPU: 1304.79, 0.00300933/step Wall: 1304.79, 0.00300933/step, 3.81383 hours remaining, 207.496094 MB of memory in use. ENERGY: 437600 709.4043 2044.5952 1943.5168 114.4261 -205964.7723 17696.8940 0.0000 0.0000 34219.6032 -149236.3328 298.8483 -183455.9360 -149141.5003 299.0200 38.6381 74.1980 557113.7407 0.0824 0.1216 PRESSURE: 437800 12.3279 12.2979 -78.2251 12.2978 65.2515 -8.78778 -78.2266 -8.78888 -99.3113 GPRESSURE: 437800 45.5823 -24.1296 -84.5524 33.4052 124.873 17.9584 -182.441 2.60221 -97.0555 PRESSAVG: 437800 23.6392 -55.2771 70.7569 -55.277 -19.7632 5.03134 70.7568 5.03134 36.5732 GPRESSAVG: 437800 24.0036 -54.254 70.4424 -56.1101 -20.5424 4.29448 69.4215 4.42543 37.4896 TIMING: 437800 CPU: 1305.39, 0.00301159/step Wall: 1305.39, 0.00301159/step, 3.81652 hours remaining, 207.507812 MB of memory in use. ENERGY: 437800 724.1349 2098.1632 1937.3559 111.0547 -206449.4537 17913.9655 0.0000 0.0000 34427.1606 -149237.6190 300.6610 -183664.7796 -149146.2252 299.8600 -7.2440 24.4668 557801.8608 13.4831 13.6502 PRESSURE: 438000 295.759 -8.55016 -88.9087 -8.54954 22.9321 158.591 -88.9076 158.592 121.688 GPRESSURE: 438000 320.165 6.88406 -103.934 43.9736 60.6676 184.076 -55.5159 76.2951 170.394 PRESSAVG: 438000 -4.31895 19.1492 19.8038 19.1493 42.973 12.3524 19.8038 12.3523 -10.1259 GPRESSAVG: 438000 -4.98895 17.6543 19.4623 20.8537 42.9083 14.6142 22.2215 13.5076 -9.03671 TIMING: 438000 CPU: 1305.99, 0.0029934/step Wall: 1305.99, 0.0029934/step, 3.79331 hours remaining, 207.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 438000 725.9017 2078.8390 1921.7411 124.2832 -206380.6650 17967.4219 0.0000 0.0000 34174.8013 -149387.6769 298.4570 -183562.4781 -149290.9282 298.5963 146.7932 183.7421 557186.7108 9.5094 9.6276 PRESSURE: 438200 -163.677 -146.27 -43.7038 -146.268 18.0354 -76.3516 -43.7034 -76.3518 -119.081 GPRESSURE: 438200 -117.246 -89.9002 26.8539 -171.615 6.91565 -88.4559 -67.902 -66.0055 -56.6734 PRESSAVG: 438200 -19.8422 -47.7741 3.23137 -47.7742 -7.69227 -32.6782 3.23147 -32.6782 8.69629 GPRESSAVG: 438200 -20.1853 -48.4356 3.8672 -50.2851 -7.38196 -33.5127 0.0976053 -35.0116 8.2594 TIMING: 438200 CPU: 1306.59, 0.00298873/step Wall: 1306.59, 0.00298873/step, 3.78722 hours remaining, 207.507812 MB of memory in use. ENERGY: 438200 738.3043 2166.2158 1932.0521 97.6903 -206214.9767 17798.4758 0.0000 0.0000 34199.2396 -149282.9988 298.6705 -183482.2385 -149190.2409 298.9471 -88.2409 -55.6679 559119.9578 -6.2794 -6.4360 PRESSURE: 438400 -106.16 -23.9452 -62.1152 -23.9445 102.697 97.3594 -62.1142 97.3585 180.093 GPRESSURE: 438400 -52.0097 6.75436 -103.795 -32.2621 177.473 85.071 -87.172 28.3459 157.551 PRESSAVG: 438400 -2.53673 -16.2291 26.0457 -16.2291 33.7765 -33.3622 26.0457 -33.3622 13.1445 GPRESSAVG: 438400 -2.69955 -15.4809 25.579 -15.6068 34.3387 -32.6301 27.8351 -31.5926 13.1635 TIMING: 438400 CPU: 1307.18, 0.00298557/step Wall: 1307.18, 0.00298557/step, 3.78305 hours remaining, 207.507812 MB of memory in use. ENERGY: 438400 746.1050 2035.8234 1943.0902 102.6027 -206100.3436 17714.8558 0.0000 0.0000 34299.0305 -149258.8361 299.5420 -183557.8666 -149158.2891 299.2881 58.8768 94.3380 556305.6491 14.7948 14.9342 PRESSURE: 438600 -31.2508 -96.1863 14.6656 -96.1888 -460.292 -16.6192 14.6661 -16.618 -269.995 GPRESSURE: 438600 33.3157 -118.666 -0.084339 -65.5825 -470.539 -41.2472 66.874 -41.3794 -232.576 PRESSAVG: 438600 9.29088 9.95249 -13.7916 9.95234 32.8872 34.2075 -13.7915 34.2075 -4.57231 GPRESSAVG: 438600 9.82318 7.43839 -13.3128 12.1321 32.2444 33.6204 -14.2367 34.6917 -4.36391 TIMING: 438600 CPU: 1307.78, 0.00297478/step Wall: 1307.78, 0.00297478/step, 3.76921 hours remaining, 207.507812 MB of memory in use. ENERGY: 438600 728.5522 2054.4815 1931.5355 107.6875 -205883.4098 17532.3618 0.0000 0.0000 34382.6239 -149146.1675 300.2720 -183528.7914 -149047.3763 299.2528 -253.8458 -223.2667 557793.8007 12.5353 12.5679 PRESSURE: 438800 184.357 -54.4476 8.06003 -54.4475 59.2567 -17.9392 8.05954 -17.9389 122.977 GPRESSURE: 438800 243.432 -71.44 21.6162 -130.175 104.814 18.2303 24.2432 23.1967 121.7 PRESSAVG: 438800 36.3029 -19.7007 48.1186 -19.7008 -7.66622 14.4902 48.1185 14.4902 -14.5762 GPRESSAVG: 438800 36.0033 -18.971 46.9663 -20.8634 -7.30164 11.8418 47.4039 17.319 -14.6732 TIMING: 438800 CPU: 1308.37, 0.00296948/step Wall: 1308.37, 0.00296948/step, 3.76233 hours remaining, 207.507812 MB of memory in use. ENERGY: 438800 795.6964 2057.1525 1943.8464 122.0202 -206023.9974 17951.6611 0.0000 0.0000 34118.3304 -149035.2904 297.9639 -183153.6208 -148940.7622 299.8057 122.1968 156.6487 558606.5997 4.6868 4.6762 PRESSURE: 439000 22.1702 -71.8228 -19.9262 -71.8226 132.151 -0.744306 -19.9258 -0.743975 315.687 GPRESSURE: 439000 72.8784 27.9367 2.58006 -31.4583 135.786 11.1263 -88.5476 -10.2434 350.869 PRESSAVG: 439000 -30.6053 -22.4431 -19.3832 -22.4431 19.9345 35.7414 -19.3832 35.7414 47.7322 GPRESSAVG: 439000 -30.1584 -19.5513 -18.7113 -22.2038 20.5619 37.5612 -19.1983 34.4636 46.9342 TIMING: 439000 CPU: 1308.96, 0.00295922/step Wall: 1308.96, 0.00295922/step, 3.74916 hours remaining, 207.507812 MB of memory in use. ENERGY: 439000 744.2633 2047.0503 1919.4239 106.6450 -206125.1386 17937.2857 0.0000 0.0000 34236.4622 -149134.0084 298.9955 -183370.4706 -149035.5305 299.2383 156.6692 186.5109 558467.4349 12.3538 12.4459 PRESSURE: 439200 -239.377 53.049 128.362 53.0489 -123.263 -22.8126 128.363 -22.8132 -143.874 GPRESSURE: 439200 -208.415 16.5698 192.466 42.0184 -31.5531 -97.3335 145.858 24.9197 -171.963 PRESSAVG: 439200 -48.682 -58.9345 -12.5648 -58.9345 -10.9445 -33.9467 -12.5649 -33.9467 55.7053 GPRESSAVG: 439200 -48.1769 -59.806 -13.3803 -58.8501 -11.4303 -35.7519 -11.4844 -32.0647 56.3926 TIMING: 439200 CPU: 1309.56, 0.00296221/step Wall: 1309.56, 0.00296221/step, 3.75279 hours remaining, 207.507812 MB of memory in use. ENERGY: 439200 711.4549 2048.0317 1941.8500 116.4594 -205703.3098 17449.7687 0.0000 0.0000 34258.7732 -149176.9718 299.1904 -183435.7451 -149072.2507 299.0839 -168.8382 -137.3102 557740.7177 -1.3071 -1.0715 PRESSURE: 439400 -79.4134 -207.652 -199.566 -207.651 -249.033 62.4073 -199.567 62.4076 110.529 GPRESSURE: 439400 -70.0208 -149.674 -111.751 -362.287 -237.725 37.9344 -164.638 101.671 194.926 PRESSAVG: 439400 -2.41425 -31.2317 -31.1777 -31.2317 -20.2145 1.00665 -31.1777 1.00665 33.1051 GPRESSAVG: 439400 -2.52802 -31.182 -32.198 -31.0501 -20.2648 2.02239 -31.2819 -1.44878 32.7565 TIMING: 439400 CPU: 1310.15, 0.00297065/step Wall: 1310.15, 0.00297065/step, 3.76331 hours remaining, 207.507812 MB of memory in use. ENERGY: 439400 753.1112 2066.6416 1960.4604 101.9295 -205991.1243 17725.9772 0.0000 0.0000 34136.0807 -149246.9237 298.1189 -183383.0044 -149149.5892 298.6704 -72.6390 -37.6066 557724.8490 3.4921 3.3212 PRESSURE: 439600 415.096 -49.6915 -5.03511 -49.6927 429.536 -67.2056 -5.03401 -67.2061 3.94676 GPRESSURE: 439600 421.754 53.7661 -17.4837 -52.4609 426.9 -69.8184 68.7646 -148.751 98.8308 PRESSAVG: 439600 4.18039 -35.9598 -36.8781 -35.9598 -34.211 -46.0767 -36.8781 -46.0767 56.4327 GPRESSAVG: 439600 4.59577 -38.152 -36.2951 -35.2843 -34.1801 -44.7906 -35.8212 -46.9573 56.1069 TIMING: 439600 CPU: 1310.74, 0.00295981/step Wall: 1310.74, 0.00295981/step, 3.74942 hours remaining, 207.507812 MB of memory in use. ENERGY: 439600 748.3222 2106.3970 1920.9994 99.6988 -206461.7930 18107.6769 0.0000 0.0000 34349.6109 -149129.0878 299.9837 -183478.6987 -149031.6820 298.7763 282.8597 315.8285 556653.8989 8.8007 8.8409 PRESSURE: 439800 -145.475 60.3605 274.444 60.3609 285.247 20.036 274.445 20.0351 -149.816 GPRESSURE: 439800 -129.578 52.6976 255.117 40.4386 311.827 126.595 191.643 -28.6025 -93.2798 PRESSAVG: 439800 -3.85323 -29.4921 54.3656 -29.4922 54.1659 -49.6958 54.3656 -49.6957 -7.64878 GPRESSAVG: 439800 -4.56214 -28.5534 52.6161 -30.4288 54.3675 -49.9211 53.9318 -49.0556 -7.57333 TIMING: 439800 CPU: 1311.33, 0.0029456/step Wall: 1311.33, 0.0029456/step, 3.73126 hours remaining, 207.507812 MB of memory in use. ENERGY: 439800 729.6158 2041.2112 1931.2208 103.4750 -206048.0803 17799.1099 0.0000 0.0000 34210.7254 -149232.7221 298.7708 -183443.4475 -149129.2859 299.8195 -3.3482 29.6564 557721.4427 14.2213 14.0773 PRESSURE: 440000 -2.55503 19.603 -175.353 19.6032 -32.4285 132.657 -175.353 132.656 -14.6111 GPRESSURE: 440000 74.8679 44.0615 -269.874 -15.8352 -67.742 109.097 -69.6598 156.413 36.7437 PRESSAVG: 440000 -25.7483 17.1814 -34.3584 17.1814 40.8755 -31.2413 -34.3583 -31.2413 31.4145 GPRESSAVG: 440000 -25.8054 17.219 -32.5709 16.0874 40.2351 -30.1671 -35.5316 -32.4958 31.2839 TIMING: 440000 CPU: 1311.92, 0.00294973/step Wall: 1311.92, 0.00294973/step, 3.73632 hours remaining, 207.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 440000 696.1900 2059.1191 1945.3866 103.1625 -205879.6342 17688.1196 0.0000 0.0000 34402.4655 -148985.1909 300.4453 -183387.6564 -148886.8135 300.0367 -16.5315 14.6232 556787.1724 15.5139 15.2378 PRESSURE: 440200 -112.16 -38.9355 103.913 -38.936 64.3964 194.181 103.912 194.181 -48.6866 GPRESSURE: 440200 -91.2029 -66.9731 93.8426 -37.4031 147.81 65.682 103.232 283.572 -65.2257 PRESSAVG: 440200 18.5956 -30.0526 -15.3258 -30.0526 61.2418 3.44507 -15.3258 3.44501 -59.4726 GPRESSAVG: 440200 18.5192 -32.2388 -13.7601 -28.6233 61.0596 2.63017 -15.1719 5.90269 -59.8422 TIMING: 440200 CPU: 1312.51, 0.00296669/step Wall: 1312.51, 0.00296669/step, 3.75764 hours remaining, 207.507812 MB of memory in use. ENERGY: 440200 789.1369 2065.0110 1952.5391 113.8544 -205967.4555 17749.3962 0.0000 0.0000 34559.1701 -148738.3478 301.8138 -183297.5179 -148642.5951 301.1790 -32.1502 -2.8728 558553.3249 6.7883 6.5789 LDB: ============= START OF LOAD BALANCING ============== 1316.06 LDB: ============== END OF LOAD BALANCING =============== 1316.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1316.06 LDB: ============= START OF LOAD BALANCING ============== 1316.36 LDB: Largest compute 4796 load 0.029915 is 25.3% of average load 0.118037 LDB: Average compute 0.001744 is 1.5% of average load 0.118037 LDB: TIME 1316.36 LOAD: AVG 0.118037 MAX 0.204686 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.668 MB LDB: TIME 1316.36 LOAD: AVG 0.118037 MAX 0.204686 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.668 MB LDB: TIME 1316.36 LOAD: AVG 0.118037 MAX 0.204686 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.668 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1316.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1316.37 PRESSURE: 440400 44.7134 -73.6629 104.143 -73.6621 -187.763 -1.12371 104.143 -1.12352 105.786 GPRESSURE: 440400 87.187 -102.131 122.563 -87.5451 -120.778 52.683 158.604 -5.96726 101.379 PRESSAVG: 440400 -57.6073 -54.8692 13.133 -54.8691 22.0597 17.0236 13.1329 17.0235 37.6928 GPRESSAVG: 440400 -57.8731 -52.8909 12.5195 -56.3149 23.3591 15.4733 11.8341 16.9706 36.5293 TIMING: 440400 CPU: 1313.12, 0.0030216/step Wall: 1313.12, 0.0030216/step, 3.82702 hours remaining, 208.718750 MB of memory in use. ENERGY: 440400 716.8667 2094.9512 1926.2957 107.5730 -205604.9126 17586.6538 0.0000 0.0000 34422.3749 -148750.1973 300.6192 -183172.5722 -148653.7764 300.8528 -12.4212 22.5960 558059.3387 0.7151 0.6717 PRESSURE: 440600 -159.816 13.1485 5.84797 13.1475 220.275 -33.0566 5.84743 -33.0557 129.936 GPRESSURE: 440600 -57.1152 22.6585 63.9413 73.3784 225.927 3.35076 -3.2441 -49.2885 110.8 PRESSAVG: 440600 -47.31 -10.1485 -9.55416 -10.1485 16.9699 -17.8137 -9.55417 -17.8137 -14.6014 GPRESSAVG: 440600 -47.4625 -11.1409 -11.4854 -9.31572 16.3803 -16.5488 -8.08708 -18.2712 -14.1391 TIMING: 440600 CPU: 1313.71, 0.00296387/step Wall: 1313.71, 0.00296387/step, 3.75374 hours remaining, 208.789062 MB of memory in use. ENERGY: 440600 701.4342 2090.2059 1946.9992 115.4414 -205880.1862 17846.5680 0.0000 0.0000 34427.3806 -148752.1569 300.6629 -183179.5375 -148650.8243 300.7444 63.4652 93.2039 558196.3340 -14.9805 -15.0738 PRESSURE: 440800 -125.157 204.094 -12.1946 204.093 154.287 -140.143 -12.1942 -140.144 -62.3798 GPRESSURE: 440800 -165.35 118.624 -42.7841 251.863 222.045 -162.77 -106.607 -95.9739 6.60202 PRESSAVG: 440800 -59.9707 -40.7684 -40.5596 -40.7684 44.1458 -23.9996 -40.5596 -23.9996 47.347 GPRESSAVG: 440800 -59.8668 -41.5326 -39.9058 -39.9492 44.1132 -24.8515 -41.9275 -23.0445 47.9662 TIMING: 440800 CPU: 1314.31, 0.00297579/step Wall: 1314.31, 0.00297579/step, 3.76867 hours remaining, 208.789062 MB of memory in use. ENERGY: 440800 751.0044 2032.7148 1912.3155 105.5063 -205674.0614 17741.8771 0.0000 0.0000 34418.2826 -148712.3607 300.5834 -183130.6433 -148615.0578 301.2167 -11.0834 21.0992 558449.2298 10.5074 10.7375 PRESSURE: 441000 207.585 -83.0848 -10.7221 -83.0853 23.9136 -198.418 -10.7224 -198.417 38.2088 GPRESSURE: 441000 270.045 -75.1577 -4.74024 -156.001 63.8182 -213.656 -85.567 -123.289 35.0755 PRESSAVG: 441000 23.946 -52.539 3.6515 -52.5389 -7.36284 -7.63823 3.65153 -7.63813 -26.1044 GPRESSAVG: 441000 23.7198 -49.2355 4.51225 -53.0319 -6.74218 -7.18294 2.7082 -8.9658 -27.2647 TIMING: 441000 CPU: 1314.9, 0.00297333/step Wall: 1314.9, 0.00297333/step, 3.76539 hours remaining, 208.789062 MB of memory in use. ENERGY: 441000 721.6666 2055.9878 1947.3002 120.3803 -205775.6958 17828.7020 0.0000 0.0000 34362.6833 -148738.9756 300.0979 -183101.6589 -148643.9215 300.6368 89.9026 122.9797 557604.1073 -3.1738 -3.4290 PRESSURE: 441200 -271.703 120.646 -63.4535 120.645 -93.2374 -34.914 -63.4538 -34.9137 -134.156 GPRESSURE: 441200 -219.754 169.27 -45.2611 102.219 -79.5611 -72.0777 -31.085 -70.5815 -106.35 PRESSAVG: 441200 27.0342 16.4543 -7.42762 16.4543 5.47279 -41.1525 -7.42759 -41.1527 -39.017 GPRESSAVG: 441200 25.929 14.0955 -7.74805 17.0064 5.82253 -40.9178 -6.51163 -38.5863 -38.378 TIMING: 441200 CPU: 1315.5, 0.0029712/step Wall: 1315.5, 0.0029712/step, 3.76253 hours remaining, 208.789062 MB of memory in use. ENERGY: 441200 769.4265 2063.5577 1953.9557 115.6461 -205514.1593 17460.7091 0.0000 0.0000 34317.9605 -148832.9038 299.7073 -183150.8643 -148737.6606 300.5217 -166.3656 -135.2217 557020.6379 -2.1700 -2.2088 PRESSURE: 441400 -153.824 -24.0323 -59.2705 -24.0342 182.061 -78.2697 -59.2702 -78.2693 -21.5152 GPRESSURE: 441400 -136.578 23.9196 -30.856 -126.79 164.246 -10.2067 -26.8522 -91.1065 82.9532 PRESSAVG: 441400 1.53494 2.00551 31.9324 2.00539 68.6877 -78.3534 31.9325 -78.3534 -72.2698 GPRESSAVG: 441400 2.82162 1.81963 31.2561 -0.670836 67.16 -75.3684 32.5494 -81.6186 -72.4929 TIMING: 441400 CPU: 1316.09, 0.00298553/step Wall: 1316.09, 0.00298553/step, 3.78051 hours remaining, 208.789062 MB of memory in use. ENERGY: 441400 759.2607 2078.9438 1976.6201 112.2506 -206024.7436 17882.4650 0.0000 0.0000 34327.6189 -148887.5846 299.7916 -183215.2035 -148796.6892 299.9312 2.2406 36.8738 556188.1842 -0.6824 -0.8371 PRESSURE: 441600 -335.755 -166.953 -41.9864 -166.954 -162.137 -10.8134 -41.9857 -10.8141 -103.812 GPRESSURE: 441600 -232.673 -134.041 39.3185 -196.002 -159.885 -73.4389 0.909336 -6.95143 -117.349 PRESSAVG: 441600 -32.6619 -13.2012 -6.034 -13.2013 54.2308 -50.199 -6.03393 -50.1989 26.0661 GPRESSAVG: 441600 -32.7735 -12.1488 -5.05109 -11.8107 54.0907 -51.5945 -5.47037 -47.7257 26.41 TIMING: 441600 CPU: 1316.69, 0.00297953/step Wall: 1316.69, 0.00297953/step, 3.77275 hours remaining, 208.789062 MB of memory in use. ENERGY: 441600 763.9107 2097.4678 1923.3918 105.5127 -205452.7835 17399.6097 0.0000 0.0000 34213.3946 -148949.4963 298.7941 -183162.8909 -148852.1345 300.2391 -200.5683 -169.9693 558093.1304 15.8784 15.9091 PRESSURE: 441800 113.962 -91.3302 -8.3519 -91.3299 42.8237 26.7852 -8.35152 26.7857 120.398 GPRESSURE: 441800 117.12 -192.483 24.0687 -17.5955 74.2202 13.5234 -55.4549 7.57752 170.36 PRESSAVG: 441800 -54.5847 0.274258 72.6708 0.274164 -16.2798 21.1471 72.6708 21.1471 50.169 GPRESSAVG: 441800 -54.971 -0.500575 73.9432 -0.695658 -17.4819 17.3227 72.058 19.8703 52.2412 TIMING: 441800 CPU: 1317.28, 0.0029676/step Wall: 1317.28, 0.0029676/step, 3.75748 hours remaining, 208.789062 MB of memory in use. ENERGY: 441800 720.6985 2046.2373 1922.1310 128.1051 -205491.2508 17583.8220 0.0000 0.0000 34153.3527 -148936.9043 298.2697 -183090.2570 -148844.5643 299.4334 92.3945 120.5669 556908.1247 -6.8985 -6.7372 PRESSURE: 442000 10.3416 -113.282 119.133 -113.282 -259.822 81.714 119.133 81.7143 361.022 GPRESSURE: 442000 8.09816 -39.9268 152.695 -183.733 -157.965 101.313 82.8019 107.653 354.79 PRESSAVG: 442000 -22.6271 24.2566 9.84609 24.2566 -6.09196 -22.9846 9.84613 -22.9848 39.7085 GPRESSAVG: 442000 -22.1761 25.3907 10.8051 24.6466 -5.03724 -21.8226 8.65417 -21.3188 38.2744 TIMING: 442000 CPU: 1317.88, 0.003003/step Wall: 1317.88, 0.003003/step, 3.80213 hours remaining, 208.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 442000 727.9245 2057.3927 1931.6628 103.9115 -205951.9675 17835.4963 0.0000 0.0000 34310.5728 -148985.0070 299.6428 -183295.5798 -148886.4732 300.0666 37.1807 68.3076 556856.5946 3.6631 3.6870 PRESSURE: 442200 4.27026 54.0324 -50.497 54.0322 92.1283 -54.0889 -50.4955 -54.0891 -124.751 GPRESSURE: 442200 25.1918 -41.7706 -113.024 114.216 146.012 -106.09 -9.06648 -24.3992 -108.535 PRESSAVG: 442200 21.0607 -58.9201 18.5992 -58.9201 -71.4146 37.0624 18.5992 37.0624 40.0888 GPRESSAVG: 442200 20.2221 -60.0565 15.4818 -59.6299 -70.8401 37.007 20.1769 35.461 40.5191 TIMING: 442200 CPU: 1318.48, 0.00296589/step Wall: 1318.48, 0.00296589/step, 3.75498 hours remaining, 208.789062 MB of memory in use. ENERGY: 442200 753.5388 2058.1367 1943.5905 108.2131 -205881.6135 17637.6664 0.0000 0.0000 34221.9696 -149158.4983 298.8690 -183380.4679 -149063.6463 300.1060 -9.4510 20.8897 555804.1518 -3.4217 -3.3663 PRESSURE: 442400 -350.742 265.521 -49.7163 265.52 24.7484 -74.8865 -49.7163 -74.886 98.0036 GPRESSURE: 442400 -309.385 189.506 -27.0215 309.306 84.4208 -142.966 -111.331 -14.5085 95.3462 PRESSAVG: 442400 21.1367 -13.8952 -45.2829 -13.8953 -14.8204 -29.1654 -45.2828 -29.1655 53.1444 GPRESSAVG: 442400 20.0186 -14.7049 -44.784 -11.4505 -14.5919 -26.4971 -45.4741 -31.2697 54.1771 TIMING: 442400 CPU: 1319.07, 0.00296169/step Wall: 1319.07, 0.00296169/step, 3.7495 hours remaining, 208.789062 MB of memory in use. ENERGY: 442400 709.2469 2052.5961 1909.8837 103.1461 -205994.0777 17731.8139 0.0000 0.0000 34210.4473 -149276.9438 298.7683 -183487.3911 -149179.5564 299.1064 -75.9965 -43.2059 557521.9479 19.8202 19.8679 PRESSURE: 442600 -77.5303 -96.854 -36.5847 -96.8519 -120.139 112.039 -36.5847 112.038 -260.579 GPRESSURE: 442600 -50.1842 -183.202 -207.876 -42.3298 -141 104.422 6.41643 40.155 -161.998 PRESSAVG: 442600 -3.73508 -8.85684 -9.06136 -8.8568 -33.1832 -9.89753 -9.06146 -9.89766 51.3051 GPRESSAVG: 442600 -3.72631 -7.3565 -10.9086 -12.1719 -32.1984 -9.66592 -8.28757 -9.7088 50.0374 TIMING: 442600 CPU: 1319.67, 0.00300475/step Wall: 1319.67, 0.00300475/step, 3.80385 hours remaining, 208.789062 MB of memory in use. ENERGY: 442600 720.7775 2071.0582 1900.8786 114.7847 -206026.6189 17667.2396 0.0000 0.0000 34405.9009 -149145.9795 300.4753 -183551.8804 -149052.6096 300.1209 -152.7494 -117.7274 557962.0282 4.7956 4.7042 PRESSURE: 442800 96.5515 -4.43949 6.15675 -4.43853 -468.483 168.25 6.15776 168.251 54.5919 GPRESSURE: 442800 118.275 -78.2618 22.705 87.4525 -411.699 149.927 50.7047 99.8051 65.0214 PRESSAVG: 442800 24.8254 -23.5376 -50.385 -23.5375 29.5133 74.1178 -50.385 74.118 -8.96556 GPRESSAVG: 442800 26.2217 -25.0566 -49.9578 -23.4052 28.4424 73.2162 -50.2725 75.3745 -9.63707 TIMING: 442800 CPU: 1320.26, 0.00296529/step Wall: 1320.26, 0.00296529/step, 3.75373 hours remaining, 208.789062 MB of memory in use. ENERGY: 442800 761.5065 2076.5006 1939.1332 121.3967 -206140.7171 17826.8209 0.0000 0.0000 34234.4737 -149180.8855 298.9782 -183415.3592 -149084.7553 300.0476 -105.7799 -76.1341 559108.7914 15.1244 15.0090 PRESSURE: 443000 -40.5001 174.271 -96.3386 174.27 117.716 -64.8281 -96.3382 -64.8283 -102.917 GPRESSURE: 443000 -5.12264 212.26 -70.2647 165.515 113.949 -58.3182 -127.344 -85.489 -46.3587 PRESSAVG: 443000 -33.9551 23.3287 -61.351 23.3288 3.00432 -33.7663 -61.351 -33.7663 39.3491 GPRESSAVG: 443000 -33.8489 24.3474 -57.7701 24.1133 1.60391 -35.4291 -62.541 -30.7287 40.5111 TIMING: 443000 CPU: 1320.85, 0.0029582/step Wall: 1320.85, 0.0029582/step, 3.74459 hours remaining, 208.789062 MB of memory in use. ENERGY: 443000 745.9624 2031.8172 1927.7823 125.2594 -206345.2335 17914.1914 0.0000 0.0000 34448.3096 -149151.9112 300.8457 -183600.2208 -149058.7245 299.7635 -8.5669 20.8226 556679.4019 2.7995 2.7554 PRESSURE: 443200 99.4658 11.2246 -97.1773 11.2249 157.03 138.947 -97.1771 138.948 112.683 GPRESSURE: 443200 141.424 5.35968 -77.8497 16.5201 179.732 136.349 -110.408 131.254 143.838 PRESSAVG: 443200 -36.1378 15.4487 33.3593 15.4487 108.63 13.4221 33.3593 13.4221 -50.0666 GPRESSAVG: 443200 -36.9509 16.1487 30.5825 14.6936 110.277 13.2621 32.7863 12.2774 -51.8616 TIMING: 443200 CPU: 1321.45, 0.0029765/step Wall: 1321.45, 0.0029765/step, 3.76759 hours remaining, 208.789062 MB of memory in use. ENERGY: 443200 733.4685 2053.1861 1937.1404 104.1848 -206159.7963 17897.9956 0.0000 0.0000 34194.6560 -149239.1649 298.6304 -183433.8209 -149143.4612 298.8797 123.0599 154.9979 555785.3788 7.4752 7.1550 PRESSURE: 443400 92.973 -54.0136 30.495 -54.0143 -58.1828 119.835 30.4959 119.835 210.967 GPRESSURE: 443400 136.264 -47.9346 13.517 -69.3861 23.2298 60.051 118.142 187.168 183.397 PRESSAVG: 443400 -20.908 -39.0268 25.3395 -39.0268 -10.7484 0.9428 25.3395 0.942878 -14.425 GPRESSAVG: 443400 -21.0791 -38.7309 27.4343 -38.6119 -11.0024 0.520224 26.139 0.278859 -13.9717 TIMING: 443400 CPU: 1322.05, 0.0029881/step Wall: 1322.05, 0.0029881/step, 3.78211 hours remaining, 208.789062 MB of memory in use. ENERGY: 443400 732.1861 2104.9718 1910.6278 108.1051 -205929.8320 17722.7344 0.0000 0.0000 34116.7952 -149234.4116 297.9505 -183351.2068 -149130.7639 298.9021 81.9190 114.2967 555795.8400 -15.3605 -15.3510 PRESSURE: 443600 225.393 16.2909 -52.6587 16.2909 123.425 -7.03336 -52.6585 -7.03446 258.765 GPRESSURE: 443600 340.987 -12.0423 -5.69586 95.1893 121.209 61.9502 -118.236 -94.7541 255.593 PRESSAVG: 443600 -24.9195 -67.546 -102.662 -67.546 -9.50712 3.62543 -102.662 3.62553 14.9358 GPRESSAVG: 443600 -24.408 -69.4844 -104.744 -68.0917 -9.42504 2.95411 -100.361 4.99605 14.981 TIMING: 443600 CPU: 1322.64, 0.00297925/step Wall: 1322.64, 0.00297925/step, 3.77073 hours remaining, 208.789062 MB of memory in use. ENERGY: 443600 687.9711 2050.0323 1924.9572 111.6148 -206460.3680 17889.9150 0.0000 0.0000 34581.4588 -149214.4188 302.0085 -183795.8776 -149118.5476 299.3875 202.5276 239.2631 556136.7547 -6.4970 -6.2840 PRESSURE: 443800 47.211 -22.0873 -156.957 -22.0884 -67.0169 83.2965 -156.957 83.2944 -73.1491 GPRESSURE: 443800 94.9361 18.2412 -92.161 -36.7794 9.19873 48.1651 -222.317 95.48 -105.839 PRESSAVG: 443800 3.24262 -0.961496 -31.5929 -0.961565 29.039 -1.69499 -31.5929 -1.69498 1.50088 GPRESSAVG: 443800 3.07422 -0.207558 -31.61 0.15972 28.7639 0.738618 -35.2432 -4.23895 1.28583 TIMING: 443800 CPU: 1323.24, 0.00298703/step Wall: 1323.24, 0.00298703/step, 3.78042 hours remaining, 208.789062 MB of memory in use. ENERGY: 443800 724.3089 2058.0898 1919.4782 108.5186 -206054.4384 17607.4903 0.0000 0.0000 34360.1792 -149276.3733 300.0760 -183636.5526 -149182.4825 299.3209 -30.9850 -0.5681 557098.3364 11.2608 11.0413 PRESSURE: 444000 278.253 15.0236 -6.85424 15.0238 387.677 -150.562 -6.85444 -150.56 176.022 GPRESSURE: 444000 289.878 -64.0902 -37.7773 85.3056 407.756 -114.825 58.924 -124.764 254.661 PRESSAVG: 444000 0.632566 -30.9803 11.0672 -30.9802 -8.32596 -12.8416 11.0671 -12.8416 -10.0603 GPRESSAVG: 444000 -1.36446 -32.228 11.0458 -30.7776 -7.75041 -16.2248 13.7212 -11.9833 -8.89985 TIMING: 444000 CPU: 1323.84, 0.00299683/step Wall: 1323.84, 0.00299683/step, 3.79266 hours remaining, 208.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 444000 686.0273 2042.9604 1914.3308 101.8547 -206322.5900 18130.3059 0.0000 0.0000 34361.8192 -149085.2918 300.0903 -183447.1109 -148985.7367 299.8342 280.6506 317.4318 556405.1381 -5.9179 -6.0049 PRESSURE: 444200 -143.124 -34.0272 225.004 -34.0281 -110.263 -16.3292 225.002 -16.3291 -33.7524 GPRESSURE: 444200 -102.994 -82.1643 255.663 -13.8538 -117.982 -31.3772 200.903 -4.05568 27.7807 PRESSAVG: 444200 -4.26755 -6.97721 40.2542 -6.97717 46.6387 -53.2664 40.2542 -53.2665 -19.0439 GPRESSAVG: 444200 -2.32744 -4.03145 40.6508 -7.9412 45.4085 -51.4611 39.0211 -53.7914 -19.7114 TIMING: 444200 CPU: 1324.44, 0.00299695/step Wall: 1324.44, 0.00299695/step, 3.79264 hours remaining, 208.789062 MB of memory in use. ENERGY: 444200 725.4853 2168.0081 1926.7856 108.4077 -205395.6159 17493.6598 0.0000 0.0000 34031.4099 -148941.8595 297.2048 -182973.2695 -148851.6176 299.5400 -95.7131 -64.3985 558626.8078 7.7757 7.7899 LDB: ============= START OF LOAD BALANCING ============== 1327.99 LDB: ============== END OF LOAD BALANCING =============== 1327.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1327.99 LDB: ============= START OF LOAD BALANCING ============== 1328.29 LDB: Largest compute 4796 load 0.029197 is 24.7% of average load 0.118020 LDB: Average compute 0.001740 is 1.5% of average load 0.118020 LDB: TIME 1328.29 LOAD: AVG 0.11802 MAX 0.203034 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.754 MB LDB: TIME 1328.29 LOAD: AVG 0.11802 MAX 0.203034 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.754 MB LDB: TIME 1328.29 LOAD: AVG 0.11802 MAX 0.203034 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.754 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1328.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1328.3 PRESSURE: 444400 -78.283 -219.303 -154.273 -219.303 79.5851 -117.182 -154.274 -117.182 224.146 GPRESSURE: 444400 -37.9234 -168.496 -78.3507 -285.256 97.9807 -130.314 -145.183 -44.9412 272.457 PRESSAVG: 444400 -19.825 -18.0762 3.6363 -18.0762 -4.6388 3.73215 3.63641 3.73212 12.2585 GPRESSAVG: 444400 -20.1827 -18.1624 4.38755 -15.9231 -3.44241 3.99476 3.93826 3.03112 11.6728 TIMING: 444400 CPU: 1325.05, 0.00303325/step Wall: 1325.05, 0.00303325/step, 3.83841 hours remaining, 206.265625 MB of memory in use. ENERGY: 444400 751.9601 2131.1348 1941.7167 112.4444 -206104.2225 17894.3169 0.0000 0.0000 34250.4200 -149022.2296 299.1174 -183272.6496 -148930.0450 299.8992 75.1492 110.8381 558287.0827 -4.0684 -3.9841 PRESSURE: 444600 -75.6436 87.2658 15.5445 87.266 179.183 -116.08 15.5439 -116.079 -153.261 GPRESSURE: 444600 -101.35 67.5662 -1.96119 117.465 229.693 -95.0988 13.4661 -102.858 -74.6395 PRESSAVG: 444600 18.8212 -31.9154 -89.3845 -31.9155 22.2747 -22.7808 -89.3845 -22.7808 -2.16018 GPRESSAVG: 444600 19.0843 -35.0462 -91.5779 -30.4795 22.4168 -23.4799 -90.1039 -23.1901 -2.57129 TIMING: 444600 CPU: 1325.64, 0.00296779/step Wall: 1325.64, 0.00296779/step, 3.75541 hours remaining, 206.265625 MB of memory in use. ENERGY: 444600 770.0088 2056.3557 1930.9327 113.6357 -205860.4761 17547.9068 0.0000 0.0000 34350.1511 -149091.4852 299.9884 -183441.6363 -148992.9804 299.4657 -16.5738 17.9010 557607.8705 12.9786 12.9766 PRESSURE: 444800 -177.718 21.4798 5.58824 21.4799 -21.717 81.5759 5.58773 81.5753 -405.811 GPRESSURE: 444800 -118.486 31.5584 15.3993 69.2235 21.7899 -39.12 -67.2906 165.24 -396.924 PRESSAVG: 444800 3.13961 -9.54128 -2.45067 -9.54129 -1.34567 6.32119 -2.45078 6.32113 -28.097 GPRESSAVG: 444800 3.45534 -9.19013 -0.675916 -13.534 -2.69099 8.60984 -3.03372 7.91123 -27.0756 TIMING: 444800 CPU: 1326.23, 0.00297607/step Wall: 1326.23, 0.00297607/step, 3.76572 hours remaining, 206.265625 MB of memory in use. ENERGY: 444800 757.7731 2094.2240 1910.9717 123.7518 -206015.9585 17697.4397 0.0000 0.0000 34356.0205 -149075.7777 300.0397 -183431.7981 -148982.5020 299.7425 -201.7487 -164.5401 558059.4223 -8.7677 -8.7704 PRESSURE: 445000 23.6801 73.3667 -158.354 73.3661 -183.114 -131.133 -158.355 -131.135 36.1383 GPRESSURE: 445000 44.0732 93.7468 -162.624 67.053 -160.454 -262.293 -158.505 -112.831 92.533 PRESSAVG: 445000 -5.82833 -16.4318 -28.0807 -16.4319 9.84347 7.88131 -28.0807 7.8813 41.079 GPRESSAVG: 445000 -6.60485 -16.7714 -28.2045 -13.486 9.94149 4.71881 -31.1399 7.30433 41.4894 TIMING: 445000 CPU: 1326.83, 0.00299461/step Wall: 1326.83, 0.00299461/step, 3.78902 hours remaining, 206.265625 MB of memory in use. ENERGY: 445000 759.6893 2142.1737 1912.8046 108.9163 -206202.8960 17882.8539 0.0000 0.0000 34389.3966 -149007.0616 300.3312 -183396.4582 -148908.1656 300.1920 -41.0985 -7.9491 557605.7566 15.0314 14.9420 PRESSURE: 445200 -58.0059 68.2075 67.9133 68.2062 -32.1863 177.649 67.9129 177.647 -73.8505 GPRESSURE: 445200 -33.0354 105.988 91.0911 0.208517 -20.3624 111.821 58.4078 227.433 -30.3857 PRESSAVG: 445200 5.62908 -1.19822 -64.2861 -1.19823 -5.02883 4.94917 -64.2861 4.9492 -18.3 GPRESSAVG: 445200 6.77186 -0.967924 -65.1801 -1.54176 -5.45006 4.7197 -61.3015 5.2015 -19.449 TIMING: 445200 CPU: 1327.43, 0.00297229/step Wall: 1327.43, 0.00297229/step, 3.76061 hours remaining, 206.265625 MB of memory in use. ENERGY: 445200 751.2684 2095.0961 1947.9660 112.1940 -205776.8831 17727.2245 0.0000 0.0000 34281.8783 -148861.2558 299.3922 -183143.1342 -148770.0671 300.3865 -54.6809 -27.9278 558377.6590 -5.8999 -6.0424 PRESSURE: 445400 -87.3272 -118.738 -47.2725 -118.738 25.7391 112.311 -47.274 112.31 -7.23583 GPRESSURE: 445400 -64.8046 -135.52 -25.2381 -72.2175 104.135 124.948 -81.5482 104.036 -15.296 PRESSAVG: 445400 -44.78 -16.7407 -55.1493 -16.7407 8.811 -28.5922 -55.1494 -28.5922 46.7276 GPRESSAVG: 445400 -45.3028 -15.1419 -55.0647 -18.6857 8.55981 -26.5122 -55.0414 -29.2118 47.1717 TIMING: 445400 CPU: 1328.02, 0.00296237/step Wall: 1328.02, 0.00296237/step, 3.7479 hours remaining, 206.265625 MB of memory in use. ENERGY: 445400 741.1963 2096.6040 1916.2529 121.3477 -205709.7064 17722.2453 0.0000 0.0000 34415.9624 -148696.0977 300.5632 -183112.0602 -148601.9606 300.6419 -22.9413 8.0116 557756.8269 3.5862 3.4762 PRESSURE: 445600 -289.896 31.33 -125.165 31.3305 226.445 58.6093 -125.166 58.6081 -64.8692 GPRESSURE: 445600 -271.661 -106.074 -93.071 87.7037 228.775 82.7934 -158.943 17.6269 -5.6213 PRESSAVG: 445600 1.11958 -9.36014 -33.4124 -9.3601 26.9871 14.8257 -33.4124 14.8256 32.9595 GPRESSAVG: 445600 0.805827 -10.5619 -33.1464 -8.61306 26.5354 13.7611 -34.9775 14.7445 33.4055 TIMING: 445600 CPU: 1328.61, 0.00295936/step Wall: 1328.61, 0.00295936/step, 3.74392 hours remaining, 206.265625 MB of memory in use. ENERGY: 445600 740.4907 2056.2269 1930.0364 106.0522 -205867.2505 17779.0917 0.0000 0.0000 34360.4668 -148894.8859 300.0785 -183255.3527 -148800.8983 300.7242 -42.7734 -16.1691 557875.1039 20.3554 20.2489 PRESSURE: 445800 104.853 89.9936 -52.5317 89.9924 67.9813 -49.2506 -52.531 -49.2514 131.235 GPRESSURE: 445800 140.884 97.2861 -112.725 79.5437 153.257 -143.406 45.7334 -41.6128 121.673 PRESSAVG: 445800 -49.986 -12.5482 19.2231 -12.5481 39.3328 8.0166 19.223 8.01665 8.39952 GPRESSAVG: 445800 -51.3342 -11.2394 19.3754 -12.2252 40.9594 6.77623 21.938 8.15173 7.98929 TIMING: 445800 CPU: 1329.2, 0.00295135/step Wall: 1329.2, 0.00295135/step, 3.73362 hours remaining, 206.265625 MB of memory in use. ENERGY: 445800 735.4533 2068.9229 1914.9849 122.3882 -206096.0410 17913.1487 0.0000 0.0000 34403.1380 -148938.0050 300.4512 -183341.1430 -148841.4082 300.2549 101.3563 138.6045 557631.6464 -0.7512 -0.7952 PRESSURE: 446000 -272.15 -25.428 36.4038 -25.4283 -41.7227 109.595 36.4045 109.594 -240.133 GPRESSURE: 446000 -258.343 10.1222 -39.2209 -107.727 -29.059 176.771 57.973 38.1706 -167.25 PRESSAVG: 446000 33.2456 -2.21817 14.6565 -2.21811 3.83346 -28.9726 14.6565 -28.9727 -16.189 GPRESSAVG: 446000 33.504 -4.61992 16.1942 -1.54837 3.15053 -26.5166 11.6673 -30.6215 -15.5758 TIMING: 446000 CPU: 1329.79, 0.00294098/step Wall: 1329.79, 0.00294098/step, 3.72034 hours remaining, 206.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 446000 756.3074 2067.2544 1939.3927 105.7473 -205754.1607 17522.5701 0.0000 0.0000 34352.8716 -149010.0172 300.0122 -183362.8888 -148910.0057 299.8488 -184.6686 -151.5507 558296.9625 6.9633 7.0262 PRESSURE: 446200 0.771662 134.713 42.4502 134.712 69.8742 88.4261 42.4492 88.4251 181.197 GPRESSURE: 446200 64.1851 161.513 105.355 161.195 74.5158 42.603 -46.3783 77.4412 215.261 PRESSAVG: 446200 -94.036 8.11567 76.9865 8.11567 0.67196 -18.7034 76.9865 -18.7034 27.3011 GPRESSAVG: 446200 -93.2144 10.1503 76.3151 8.21714 -0.100814 -21.3118 78.2778 -16.688 26.4029 TIMING: 446200 CPU: 1330.38, 0.00293485/step Wall: 1330.38, 0.00293485/step, 3.71242 hours remaining, 206.265625 MB of memory in use. ENERGY: 446200 711.7641 2075.2560 1926.4150 115.2774 -206222.7278 17970.4638 0.0000 0.0000 34247.4549 -149176.0966 299.0915 -183423.5515 -149085.2428 299.9093 83.9475 117.9873 558681.6392 -22.0210 -22.3041 PRESSURE: 446400 38.9484 -149.644 131.496 -149.643 136.173 83.4172 131.497 83.419 235.107 GPRESSURE: 446400 71.445 -147.552 94.879 -159.442 173.177 59.3582 179.992 137.204 260.151 PRESSAVG: 446400 16.2723 34.1986 -1.53519 34.1987 -14.2773 18.8729 -1.53524 18.8729 -39.924 GPRESSAVG: 446400 15.941 34.0838 -3.45083 32.3577 -14.5832 18.8819 -0.225414 19.759 -39.556 TIMING: 446400 CPU: 1330.97, 0.00296825/step Wall: 1330.97, 0.00296825/step, 3.75451 hours remaining, 206.265625 MB of memory in use. ENERGY: 446400 717.3964 2088.2898 1961.1812 107.1777 -206769.0891 18154.5086 0.0000 0.0000 34587.0372 -149153.4981 302.0572 -183740.5353 -149065.3700 299.7610 136.7429 168.2575 557767.0764 -12.6430 -12.7327 PRESSURE: 446600 -61.9364 115.156 -90.9192 115.156 100.936 -39.8931 -90.9201 -39.8927 56.821 GPRESSURE: 446600 1.49937 158.397 -82.8334 72.6428 85.4448 -62.9238 -57.5923 -68.6448 108.633 PRESSAVG: 446600 37.856 3.92439 19.5595 3.92443 -12.9633 21.2406 19.5595 21.2407 -8.61778 GPRESSAVG: 446600 37.4788 1.94947 20.4752 5.48729 -12.45 21.9557 19.6102 19.3199 -9.3762 TIMING: 446600 CPU: 1331.56, 0.00296426/step Wall: 1331.56, 0.00296426/step, 3.7493 hours remaining, 206.265625 MB of memory in use. ENERGY: 446600 721.1457 2058.8761 1938.9184 98.4450 -206089.3619 17833.9271 0.0000 0.0000 34120.2921 -149317.7575 297.9810 -183438.0496 -149224.3796 299.9503 31.9402 65.1925 556782.1117 5.4250 5.2175 PRESSURE: 446800 1.16902 -40.093 -99.302 -40.0911 -53.4742 66.5046 -99.3027 66.5046 -299.927 GPRESSURE: 446800 23.8729 -58.8868 -74.0842 -91.7278 13.9835 60.8256 -112.433 60.684 -305.772 PRESSAVG: 446800 -10.047 58.0503 -8.43826 58.0502 16.1412 -14.0563 -8.4383 -14.0565 -43.3955 GPRESSAVG: 446800 -10.7937 59.735 -6.91738 56.6575 17.0976 -12.9693 -11.3264 -13.366 -43.5782 TIMING: 446800 CPU: 1332.16, 0.00297388/step Wall: 1332.16, 0.00297388/step, 3.76129 hours remaining, 206.265625 MB of memory in use. ENERGY: 446800 707.7217 1992.8984 1921.0087 116.9543 -205871.6555 17581.7890 0.0000 0.0000 34096.8117 -149454.4718 297.7759 -183551.2835 -149348.8468 298.5331 -117.4107 -89.3051 558288.7767 -12.4338 -12.4248 PRESSURE: 447000 29.0059 -112.253 71.0185 -112.253 -368.146 48.4975 71.0175 48.498 85.0421 GPRESSURE: 447000 82.3278 -122.677 13.2484 -150.528 -261.537 151.963 75.344 41.9189 29.9661 PRESSAVG: 447000 95.8372 -8.41557 -8.94169 -8.41571 11.4927 -2.67404 -8.94165 -2.67406 -61.8962 GPRESSAVG: 447000 95.4091 -8.20585 -11.1 -7.73104 10.8779 -2.24853 -8.47761 -2.83808 -60.9793 TIMING: 447000 CPU: 1332.75, 0.00296454/step Wall: 1332.75, 0.00296454/step, 3.74932 hours remaining, 206.265625 MB of memory in use. ENERGY: 447000 700.8928 2031.8209 1953.8970 134.2260 -205889.1411 17389.4080 0.0000 0.0000 34272.9755 -149405.9210 299.3144 -183678.8965 -149309.9369 298.6574 -84.6994 -49.7477 557008.1174 15.1446 15.1026 PRESSURE: 447200 -41.999 -17.3275 99.8574 -17.3263 -28.9686 32.2467 99.8576 32.2477 -154.254 GPRESSURE: 447200 -26.8026 6.65228 79.4787 49.7251 -14.0441 64.582 43.2521 73.4782 -88.7674 PRESSAVG: 447200 0.0181626 -17.6048 -4.17908 -17.6048 -61.0698 5.008 -4.17922 5.00804 24.6727 GPRESSAVG: 447200 1.19016 -18.5314 -2.91699 -17.2218 -62.1235 5.11086 -3.42752 5.96771 24.5199 TIMING: 447200 CPU: 1333.34, 0.00296118/step Wall: 1333.34, 0.00296118/step, 3.7449 hours remaining, 206.265625 MB of memory in use. ENERGY: 447200 748.5094 2083.1001 1927.2433 103.2044 -206096.4094 17644.3477 0.0000 0.0000 34408.5678 -149181.4368 300.4986 -183590.0046 -149080.1259 299.1568 -75.0739 -43.2047 557543.9599 -12.1263 -12.1378 PRESSURE: 447400 -203.271 -304.565 116.299 -304.566 -209.723 41.5457 116.3 41.5468 -45.7715 GPRESSURE: 447400 -184.978 -229.641 126.013 -267.269 -114.41 58.4423 132.354 44.9303 -60.7834 PRESSAVG: 447400 -28.6728 -82.4142 36.8335 -82.4142 22.0514 9.65339 36.8336 9.65327 -2.00302 GPRESSAVG: 447400 -28.367 -79.7253 35.9815 -84.8794 22.2219 10.2489 38.8333 6.78843 -2.20479 TIMING: 447400 CPU: 1333.94, 0.00296629/step Wall: 1333.94, 0.00296629/step, 3.75121 hours remaining, 206.265625 MB of memory in use. ENERGY: 447400 722.2546 2015.3716 1923.7297 121.0249 -205616.4180 17438.2348 0.0000 0.0000 34336.8971 -149058.9054 299.8727 -183395.8025 -148965.8503 299.7615 -152.9220 -120.0572 557755.7854 -2.8748 -2.7833 PRESSURE: 447600 58.2179 -196.67 -77.2298 -196.671 -175.116 -102.011 -77.2297 -102.009 -44.4293 GPRESSURE: 447600 49.5715 -167.647 -156.293 -217.399 -54.9817 -196.077 -99.4595 -128.066 -46.6998 PRESSAVG: 447600 36.8566 -74.6626 26.9431 -74.6627 41.3284 -30.7729 26.943 -30.7727 -55.5914 GPRESSAVG: 447600 36.7877 -76.2571 26.4862 -71.3836 41.9497 -29.5602 26.4691 -27.8799 -55.7363 TIMING: 447600 CPU: 1334.53, 0.00298794/step Wall: 1334.53, 0.00298794/step, 3.77841 hours remaining, 206.265625 MB of memory in use. ENERGY: 447600 738.6892 2080.4856 1929.0140 109.5728 -205974.8627 17789.3729 0.0000 0.0000 34185.2704 -149142.4577 298.5485 -183327.7281 -149041.7734 299.5911 -53.7757 -17.3700 558203.6843 7.5312 7.6671 PRESSURE: 447800 174.666 -3.49291 199.908 -3.49195 210.085 21.098 199.906 21.0981 207.516 GPRESSURE: 447800 247.426 -76.3423 141.988 35.8896 132.303 70.9082 215.9 -74.5558 313.586 PRESSAVG: 447800 -10.605 28.5329 6.58325 28.5328 24.7588 12.5405 6.58321 12.5404 -2.80755 GPRESSAVG: 447800 -11.0268 28.1467 7.31429 29.616 24.658 12.3659 8.44314 10.0415 -2.45834 TIMING: 447800 CPU: 1335.14, 0.00300051/step Wall: 1335.14, 0.00300051/step, 3.79415 hours remaining, 206.265625 MB of memory in use. ENERGY: 447800 723.5718 2043.0203 1935.3862 94.9922 -206279.1577 18158.3315 0.0000 0.0000 34095.3046 -149228.5511 297.7628 -183323.8557 -149132.6867 299.4705 197.4223 231.1054 556913.6852 3.7821 3.7243 PRESSURE: 448000 30.7419 82.0316 49.489 82.0317 -99.9006 76.1275 49.4891 76.127 -180.821 GPRESSURE: 448000 75.517 31.2681 19.4544 100.023 -70.9326 73.1168 59.3875 177.166 -155.018 PRESSAVG: 448000 4.0276 5.07479 -3.0476 5.07483 -13.7258 13.6003 -3.04761 13.6001 -21.1706 GPRESSAVG: 448000 4.97833 4.59179 -2.81123 4.63684 -15.0289 12.5605 -4.6293 15.6182 -20.7568 TIMING: 448000 CPU: 1335.73, 0.00298717/step Wall: 1335.73, 0.00298717/step, 3.77711 hours remaining, 206.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 448000 739.5085 2016.0642 1946.5094 95.8653 -205991.2468 17842.7260 0.0000 0.0000 34054.8590 -149295.7144 297.4096 -183350.5734 -149202.0499 298.9439 -83.3267 -50.1447 559473.2256 -10.2896 -10.2691 PRESSURE: 448200 238.479 -79.9324 1.549 -79.9309 338.55 -42.3114 1.54847 -42.3112 311.145 GPRESSURE: 448200 290.474 -73.9175 83.8671 -53.407 384.3 -101.651 -39.5819 -40.9785 313.351 PRESSAVG: 448200 45.1982 -44.0141 19.4677 -44.014 -64.7611 22.8631 19.4677 22.863 18.9179 GPRESSAVG: 448200 44.1479 -45.3583 18.8654 -43.0786 -63.6676 23.0899 18.8468 21.9868 18.8096 TIMING: 448200 CPU: 1336.32, 0.00294632/step Wall: 1336.32, 0.00294632/step, 3.72529 hours remaining, 206.265625 MB of memory in use. ENERGY: 448200 766.1804 2065.2127 1932.2944 116.1063 -206617.0110 18245.2337 0.0000 0.0000 34065.8042 -149426.1793 297.5051 -183491.9835 -149323.7438 298.9432 296.0582 329.3749 555523.1688 -0.2150 -0.2367 LDB: ============= START OF LOAD BALANCING ============== 1339.87 LDB: ============== END OF LOAD BALANCING =============== 1339.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1339.87 LDB: ============= START OF LOAD BALANCING ============== 1340.16 LDB: Largest compute 4796 load 0.029550 is 25.1% of average load 0.117945 LDB: Average compute 0.001744 is 1.5% of average load 0.117945 LDB: TIME 1340.17 LOAD: AVG 0.117945 MAX 0.19955 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.039 MB LDB: TIME 1340.17 LOAD: AVG 0.117945 MAX 0.19955 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.039 MB LDB: TIME 1340.17 LOAD: AVG 0.117945 MAX 0.19955 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.039 MB LDB: ============== END OF LOAD BALANCING =============== 1340.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1340.17 PRESSURE: 448400 -101.62 3.04433 18.4165 3.04457 -106.745 80.7621 18.4159 80.7634 -354.248 GPRESSURE: 448400 -113.616 16.3955 42.0664 -74.2807 -100.804 45.7056 24.4118 82.5094 -254.042 PRESSAVG: 448400 21.0926 -23.5665 62.5713 -23.5665 -6.00556 55.7542 62.5714 55.7542 -35.0836 GPRESSAVG: 448400 19.6928 -22.8233 64.138 -25.3939 -5.84342 55.9136 62.4134 55.8434 -33.8909 TIMING: 448400 CPU: 1336.92, 0.00300925/step Wall: 1336.92, 0.00300925/step, 3.80469 hours remaining, 206.464844 MB of memory in use. ENERGY: 448400 739.0918 2107.6034 1933.2495 106.5183 -205865.2191 17530.2729 0.0000 0.0000 34045.7074 -149402.7759 297.3296 -183448.4833 -149306.2034 298.5131 -187.5377 -156.1539 557748.3885 -6.6655 -6.6805 PRESSURE: 448600 -39.8824 32.2576 -1.89375 32.258 278.211 -95.3659 -1.8936 -95.3668 65.7638 GPRESSURE: 448600 33.2705 50.1382 -81.4264 10.6603 288.997 -119.059 16.6181 -74.9274 75.3373 PRESSAVG: 448600 17.8289 -15.9897 2.24464 -15.9897 27.4107 -23.2613 2.24465 -23.2613 -54.2157 GPRESSAVG: 448600 18.5428 -14.0868 2.95189 -16.2416 27.6707 -24.6491 2.00016 -25.4074 -55.9066 TIMING: 448600 CPU: 1337.51, 0.00293737/step Wall: 1337.51, 0.00293737/step, 3.71365 hours remaining, 206.464844 MB of memory in use. ENERGY: 448600 685.6727 2061.9987 1943.3062 111.5747 -206513.9243 17963.3526 0.0000 0.0000 34167.4073 -149580.6122 298.3925 -183748.0195 -149480.2385 298.0059 101.3642 132.5349 557097.0909 -2.9920 -3.2311 PRESSURE: 448800 -154.589 -92.7867 23.6645 -92.7863 1.81421 -130.057 23.6649 -130.056 -37.0735 GPRESSURE: 448800 -133.154 -136.016 41.3531 -103.345 31.6104 -103.076 11.2863 -161.068 4.68369 PRESSAVG: 448800 -19.2269 8.78077 9.92654 8.78077 23.6861 -44.5964 9.92653 -44.5965 -48.5796 GPRESSAVG: 448800 -18.2504 7.5856 10.2687 8.99877 22.6463 -43.9819 8.81189 -41.9126 -48.532 TIMING: 448800 CPU: 1338.1, 0.00292887/step Wall: 1338.1, 0.00292887/step, 3.70274 hours remaining, 206.464844 MB of memory in use. ENERGY: 448800 709.4224 2102.7348 1931.7303 104.7149 -206323.5470 17808.6458 0.0000 0.0000 34042.2597 -149624.0391 297.2995 -183666.2988 -149527.0553 297.9485 -63.2829 -32.2867 556231.5015 -14.7068 -14.7120 PRESSURE: 449000 -37.1559 -175.466 -64.4863 -175.465 -2.87574 -155.235 -64.4853 -155.235 87.5268 GPRESSURE: 449000 19.7299 -161.446 -14.6184 -198.823 73.6177 -102.377 -48.994 -190.433 43.9901 PRESSAVG: 449000 -23.5475 -37.133 26.2473 -37.1329 50.5499 -15.8477 26.2472 -15.8478 -15.8752 GPRESSAVG: 449000 -23.9904 -37.7669 22.1587 -37.8024 50.2828 -16.3345 28.7794 -15.3001 -15.8208 TIMING: 449000 CPU: 1338.69, 0.00296152/step Wall: 1338.69, 0.00296152/step, 3.74385 hours remaining, 206.464844 MB of memory in use. ENERGY: 449000 732.6178 2059.6001 1939.5685 118.3188 -206397.1556 17977.5670 0.0000 0.0000 33973.5769 -149595.9064 296.6997 -183569.4834 -149501.0550 297.7620 15.8317 45.7793 557710.2366 3.7090 3.4906 PRESSURE: 449200 -40.8892 -62.7972 -54.1003 -62.7966 -1.87226 57.7734 -54.1023 57.7715 -220.275 GPRESSURE: 449200 -65.9143 -102.976 97.602 -48.9753 17.6451 33.5174 -164.953 149.103 -125.358 PRESSAVG: 449200 49.6192 -29.5256 -18.7742 -29.5255 20.8242 -0.132072 -18.7742 -0.132069 -12.5305 GPRESSAVG: 449200 49.1787 -27.5308 -17.4265 -29.4461 21.0321 0.78879 -18.8841 0.101183 -12.4119 TIMING: 449200 CPU: 1339.28, 0.00296757/step Wall: 1339.28, 0.00296757/step, 3.75133 hours remaining, 206.464844 MB of memory in use. ENERGY: 449200 758.6319 2073.0212 1929.1176 116.7210 -206368.5886 17786.9379 0.0000 0.0000 34067.7081 -149636.4508 297.5218 -183704.1589 -149549.5442 298.0539 -87.6787 -57.8758 558139.0486 19.3043 19.2663 PRESSURE: 449400 129.774 -11.6087 185.08 -11.6081 381.73 -95.4557 185.079 -95.4571 45.1687 GPRESSURE: 449400 118.226 -35.6742 253.854 -28.4091 458.482 -51.7934 141.369 -36.0696 85.7459 PRESSAVG: 449400 45.9487 -7.07576 18.3468 -7.07571 -22.2901 17.4587 18.3467 17.4587 -26.3258 GPRESSAVG: 449400 45.8032 -8.32443 18.3712 -8.34139 -20.7361 17.8002 17.6185 16.4332 -27.2631 TIMING: 449400 CPU: 1339.88, 0.00296911/step Wall: 1339.88, 0.00296911/step, 3.75312 hours remaining, 206.464844 MB of memory in use. ENERGY: 449400 756.3688 2066.5173 1943.1403 118.1475 -206876.2451 18232.7662 0.0000 0.0000 34271.4727 -149487.8323 299.3013 -183759.3050 -149389.4978 297.6575 185.5574 220.8180 556405.4163 -0.8891 -0.7320 PRESSURE: 449600 -115.49 -20.1045 -134.184 -20.1053 -31.6481 87.699 -134.185 87.6982 -175.95 GPRESSURE: 449600 -66.9947 4.09354 -80.839 -56.8345 -22.1398 112.091 -216.47 26.2054 -139.207 PRESSAVG: 449600 39.0318 -13.803 38.4792 -13.8031 -27.917 26.7657 38.4793 26.7658 -31.2771 GPRESSAVG: 449600 39.8467 -14.8472 39.8001 -11.1998 -29.4157 27.9602 37.8016 26.4579 -31.1881 TIMING: 449600 CPU: 1340.47, 0.00297234/step Wall: 1340.47, 0.00297234/step, 3.75704 hours remaining, 206.464844 MB of memory in use. ENERGY: 449600 756.6257 2040.7036 1960.0146 108.2805 -206252.9204 17772.9835 0.0000 0.0000 33996.2490 -149618.0634 296.8977 -183614.3124 -149525.1184 297.9992 -107.6958 -76.1139 557297.7564 -6.7208 -6.9190 PRESSURE: 449800 -132.951 45.5961 148.121 45.5968 103.719 51.0025 148.12 51.0009 -40.3795 GPRESSURE: 449800 -107.011 65.1744 172.246 58.071 137.214 91.1878 104.899 -3.29998 -7.10048 PRESSAVG: 449800 -5.91182 -9.88785 -0.900194 -9.88778 59.6036 2.57256 -0.900171 2.57266 -57.3943 GPRESSAVG: 449800 -6.61701 -10.9868 -1.61812 -10.2454 59.7806 0.282568 -2.76571 0.251248 -56.4499 TIMING: 449800 CPU: 1341.06, 0.00296101/step Wall: 1341.06, 0.00296101/step, 3.74255 hours remaining, 206.464844 MB of memory in use. ENERGY: 449800 734.1071 2105.7540 1935.3742 124.9574 -206008.0849 17790.4082 0.0000 0.0000 33953.3939 -149364.0901 296.5234 -183317.4840 -149274.6267 298.6374 -23.2036 7.7008 557022.0021 -1.2342 -1.0954 PRESSURE: 450000 -83.0782 53.0663 -107.324 53.0667 -159.423 -24.6837 -107.323 -24.6837 -160.2 GPRESSURE: 450000 -13.5918 25.1658 -173.062 91.0036 -84.5333 -51.0142 -92.3461 54.0923 -200.474 PRESSAVG: 450000 -38.5114 -6.79108 -11.5323 -6.79101 74.7462 -40.4487 -11.5322 -40.4486 -61.3475 GPRESSAVG: 450000 -38.5846 -5.68972 -10.9202 -7.40267 75.3264 -39.4628 -9.12344 -37.1986 -61.8942 TIMING: 450000 CPU: 1341.65, 0.00295264/step Wall: 1341.65, 0.00295264/step, 3.73181 hours remaining, 206.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 450000 768.3622 2108.5458 1949.1320 107.1403 -206226.0811 17782.0651 0.0000 0.0000 34268.4404 -149242.3952 299.2748 -183510.8356 -149146.5231 299.1025 -134.2339 -99.5331 558223.3134 -8.3709 -8.3842 PRESSURE: 450200 -51.1782 -36.4908 18.0169 -36.4909 -291.956 -114.535 18.0178 -114.536 -47.3367 GPRESSURE: 450200 -87.519 15.6226 -17.0214 -28.211 -239.944 -10.9934 -30.228 -170.513 28.9483 PRESSAVG: 450200 14.2084 -5.46163 -19.3588 -5.46162 -32.2472 -7.59647 -19.3586 -7.59641 21.2922 GPRESSAVG: 450200 15.3324 -5.4317 -21.1424 -4.46946 -33.1537 -7.7895 -20.2966 -9.13968 21.242 TIMING: 450200 CPU: 1342.24, 0.0029481/step Wall: 1342.24, 0.0029481/step, 3.72591 hours remaining, 206.464844 MB of memory in use. ENERGY: 450200 754.5006 2096.5227 1932.3933 115.9862 -206059.0279 17668.2344 0.0000 0.0000 34220.4609 -149270.9298 298.8558 -183491.3906 -149179.4952 299.0778 -130.1568 -99.5050 559663.6874 1.0844 1.1402 PRESSURE: 450400 78.4388 5.10636 50.7998 5.10765 64.9287 -11.2882 50.8006 -11.2881 95.2142 GPRESSURE: 450400 43.808 64.2603 57.1636 -65.2636 106.817 -60.5951 75.7205 12.7091 177.045 PRESSAVG: 450400 -27.2391 60.9916 6.16918 60.9917 48.4707 -6.64119 6.16921 -6.6412 -18.5476 GPRESSAVG: 450400 -27.7202 61.4312 7.7301 59.7151 48.3622 -5.87322 6.196 -5.14734 -18.153 TIMING: 450400 CPU: 1342.83, 0.00295627/step Wall: 1342.83, 0.00295627/step, 3.73606 hours remaining, 206.464844 MB of memory in use. ENERGY: 450400 751.6278 2065.7341 1943.6308 104.6601 -206258.7844 17954.2946 0.0000 0.0000 34349.7039 -149089.1330 299.9845 -183438.8370 -148988.3044 299.2126 79.5272 109.2233 557984.8692 0.8947 0.8297 PRESSURE: 450600 -40.6508 -150.924 -139.262 -150.925 228.986 128.708 -139.262 128.709 4.66791 GPRESSURE: 450600 4.30866 -87.4118 -232.555 -234.246 235.991 97.4515 -74.7348 163.63 55.1673 PRESSAVG: 450600 -48.3591 -4.369 -8.14191 -4.369 97.4767 -34.0672 -8.14187 -34.0672 -62.6915 GPRESSAVG: 450600 -49.016 -2.65835 -9.45018 -4.48107 97.8301 -32.7168 -7.85758 -33.2155 -62.4527 TIMING: 450600 CPU: 1343.43, 0.00299069/step Wall: 1343.43, 0.00299069/step, 3.7794 hours remaining, 206.464844 MB of memory in use. ENERGY: 450600 741.6058 2086.2283 1911.6374 107.0781 -206109.6651 17993.1201 0.0000 0.0000 34185.4156 -149084.5797 298.5497 -183269.9952 -148991.2652 300.3686 64.3344 98.4889 558177.4986 -4.5246 -4.5462 PRESSURE: 450800 66.9298 101.525 10.2166 101.527 192.171 79.3974 10.2174 79.3972 223.603 GPRESSURE: 450800 94.1973 70.0606 87.004 129.873 193.036 16.1208 18.5715 177.231 296.516 PRESSAVG: 450800 -22.2912 -4.382 9.00879 -4.382 66.6496 -12.8696 9.00871 -12.8695 -18.3082 GPRESSAVG: 450800 -22.1352 -4.19868 11.2315 -4.16757 66.6468 -15.8724 7.70556 -12.5642 -18.8114 TIMING: 450800 CPU: 1344.03, 0.00299078/step Wall: 1344.03, 0.00299078/step, 3.77935 hours remaining, 206.464844 MB of memory in use. ENERGY: 450800 732.7276 2055.6678 1931.9416 110.4199 -206377.1809 17959.9024 0.0000 0.0000 34226.3736 -149360.1481 298.9074 -183586.5217 -149265.7154 299.4554 160.9015 194.5834 558019.3581 8.6834 8.5667 PRESSURE: 451000 -183.043 -17.1438 -42.7125 -17.1434 -189.575 -182.587 -42.7122 -182.588 164.661 GPRESSURE: 451000 -153.872 -8.2891 -56.6049 -48.3418 -112.434 -206.388 -7.51311 -242.717 156.093 PRESSAVG: 451000 -76.4604 -10.845 14.3326 -10.845 81.5828 36.6541 14.3325 36.654 17.0919 GPRESSAVG: 451000 -75.2335 -12.5312 11.0599 -9.87962 81.6559 36.8673 15.443 36.2809 15.5699 TIMING: 451000 CPU: 1344.62, 0.00296381/step Wall: 1344.62, 0.00296381/step, 3.7451 hours remaining, 206.464844 MB of memory in use. ENERGY: 451000 763.1625 2095.6078 1941.7718 103.0208 -206305.0828 17879.7199 0.0000 0.0000 34180.0428 -149341.7572 298.5028 -183521.8000 -149241.8177 298.3294 -69.3192 -36.7379 559831.2735 7.4048 7.3308 PRESSURE: 451200 -281.468 129.505 222.8 129.505 84.6461 -45.6247 222.801 -45.625 -187.801 GPRESSURE: 451200 -265.098 133.725 209.408 115.844 89.6385 -9.69082 221.729 -60.2202 -116.471 PRESSAVG: 451200 -25.4168 36.695 45.0473 36.6949 17.5639 25.3717 45.0473 25.3717 25.53 GPRESSAVG: 451200 -24.9974 35.7341 46.5927 36.8069 16.9494 25.521 43.8244 26.2551 26.1308 TIMING: 451200 CPU: 1345.21, 0.00295566/step Wall: 1345.21, 0.00295566/step, 3.73464 hours remaining, 206.464844 MB of memory in use. ENERGY: 451200 754.3435 2083.3797 1958.0448 108.0394 -206335.2951 17818.2724 0.0000 0.0000 34171.0302 -149442.1851 298.4241 -183613.2154 -149353.5861 298.9936 -128.2075 -97.3102 559274.4499 5.8924 6.0276 PRESSURE: 451400 123.013 192.383 -5.33169 192.382 107.276 -59.2995 -5.33043 -59.2995 -224.573 GPRESSURE: 451400 154.067 297.578 -4.92189 104.197 80.941 -64.4018 -32.8906 -8.80754 -136.663 PRESSAVG: 451400 42.0407 64.3692 39.0721 64.3692 4.80602 10.475 39.0723 10.475 -36.7223 GPRESSAVG: 451400 40.5633 64.6874 38.1434 64.6169 4.78585 13.0095 40.834 9.48955 -35.0543 TIMING: 451400 CPU: 1345.81, 0.00298202/step Wall: 1345.81, 0.00298202/step, 3.76779 hours remaining, 206.464844 MB of memory in use. ENERGY: 451400 706.3289 2140.7834 1910.7429 116.1631 -206485.2670 17931.4376 0.0000 0.0000 34213.7634 -149466.0476 298.7973 -183679.8110 -149370.7615 298.8977 1.9052 32.7814 558585.4687 3.3748 3.4316 PRESSURE: 451600 -123.021 -21.1766 152.292 -21.1771 -108.086 -102.533 152.292 -102.532 -94.6997 GPRESSURE: 451600 -46.8137 -36.4254 171.395 -16.1568 -127.246 -92.8658 98.9222 -150.353 -52.7917 PRESSAVG: 451600 -4.63237 69.5156 45.6166 69.5157 25.3722 -13.1783 45.6165 -13.1782 -59.7052 GPRESSAVG: 451600 -3.23363 69.9143 45.7871 67.7198 25.8581 -14.0726 44.4535 -13.1017 -61.4075 TIMING: 451600 CPU: 1346.41, 0.00297986/step Wall: 1346.41, 0.00297986/step, 3.76489 hours remaining, 206.464844 MB of memory in use. ENERGY: 451600 705.2490 2113.1627 1903.2144 115.2810 -206334.1211 17630.5672 0.0000 0.0000 34406.9910 -149459.6559 300.4848 -183866.6468 -149360.3137 299.0134 -108.6022 -75.6173 558875.5149 -12.9884 -12.9277 PRESSURE: 451800 -80.6886 2.52627 62.3839 2.52658 -96.2358 -61.0486 62.3852 -61.0476 58.7645 GPRESSURE: 451800 -60.0865 18.746 110.549 33.284 -16.6654 -67.5068 47.712 -27.5919 59.0607 PRESSAVG: 451800 -24.9502 39.2509 -9.24301 39.251 12.2864 -36.3828 -9.243 -36.3828 -11.3496 GPRESSAVG: 451800 -25.9049 38.8015 -7.83038 40.3001 13.8431 -37.5002 -9.27536 -38.0528 -11.9276 TIMING: 451800 CPU: 1347, 0.0029674/step Wall: 1347, 0.0029674/step, 3.74899 hours remaining, 206.464844 MB of memory in use. ENERGY: 451800 771.1297 2054.3520 1936.2236 115.1784 -206390.1973 17884.2680 0.0000 0.0000 34146.6769 -149482.3688 298.2114 -183629.0457 -149380.4459 297.6805 -39.3866 -5.8971 557764.8479 -8.0045 -7.9965 PRESSURE: 452000 7.25392 98.0418 -72.4543 98.0431 -21.286 17.8576 -72.4542 17.856 78.759 GPRESSURE: 452000 60.1064 66.7496 -13.0076 76.3331 49.1097 -6.08438 -101.532 27.1202 56.8056 PRESSAVG: 452000 -59.8607 18.4036 -4.24292 18.4037 55.1731 -57.7368 -4.24306 -57.7367 47.1254 GPRESSAVG: 452000 -60.0904 19.3794 -5.9666 18.5211 54.9325 -56.2479 -2.5115 -56.9094 47.5669 TIMING: 452000 CPU: 1347.6, 0.00298313/step Wall: 1347.6, 0.00298313/step, 3.76869 hours remaining, 206.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 452000 746.4369 2072.0330 1957.1317 116.7902 -206604.4611 17966.4947 0.0000 0.0000 34230.0458 -149515.5289 298.9395 -183745.5747 -149411.5164 298.2778 21.5756 55.3406 557554.5356 14.1459 14.1363 PRESSURE: 452200 -302.985 42.1173 86.9514 42.1164 -90.5062 -104.518 86.9503 -104.518 -288.954 GPRESSURE: 452200 -240.796 62.2335 115.472 154.931 -93.6505 -145.825 84.9758 -134.224 -241.607 PRESSAVG: 452200 -23.184 3.50637 -21.8646 3.50642 -25.6018 -15.3246 -21.8646 -15.3245 41.2729 GPRESSAVG: 452200 -22.933 3.54471 -21.1957 6.68318 -26.2158 -14.8117 -20.4818 -16.3914 41.973 TIMING: 452200 CPU: 1348.2, 0.00299546/step Wall: 1348.2, 0.00299546/step, 3.7841 hours remaining, 206.464844 MB of memory in use. ENERGY: 452200 801.6820 2086.8469 1948.3545 126.7397 -206158.9672 17493.8081 0.0000 0.0000 34378.9481 -149322.5878 300.2399 -183701.5360 -149223.8184 298.8730 -227.4817 -192.0181 557561.6475 -2.5043 -2.3919 LDB: ============= START OF LOAD BALANCING ============== 1351.74 LDB: ============== END OF LOAD BALANCING =============== 1351.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1351.74 LDB: ============= START OF LOAD BALANCING ============== 1352.04 LDB: Largest compute 4796 load 0.028852 is 24.5% of average load 0.117990 LDB: Average compute 0.001745 is 1.5% of average load 0.117990 LDB: TIME 1352.04 LOAD: AVG 0.11799 MAX 0.204989 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.953 MB LDB: TIME 1352.04 LOAD: AVG 0.11799 MAX 0.204989 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.957 MB LDB: TIME 1352.04 LOAD: AVG 0.11799 MAX 0.204989 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.957 MB LDB: ============== END OF LOAD BALANCING =============== 1352.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1352.05 PRESSURE: 452400 -138.302 81.0186 -55.7423 81.019 74.5182 8.12964 -55.7416 8.12947 249.551 GPRESSURE: 452400 -103.629 108.241 38.4998 14.8196 57.1074 28.6819 -101.639 -57.2525 333.787 PRESSAVG: 452400 -34.8936 46.9992 18.4439 46.9993 -20.2287 19.2581 18.444 19.2582 75.2855 GPRESSAVG: 452400 -35.3661 45.7999 17.2149 44.599 -19.3877 18.4656 16.7152 20.3113 74.6757 TIMING: 452400 CPU: 1348.8, 0.00301136/step Wall: 1348.8, 0.00301136/step, 3.80401 hours remaining, 206.464844 MB of memory in use. ENERGY: 452400 731.7372 2050.3326 1937.8293 128.0426 -206320.5377 17782.8671 0.0000 0.0000 34145.6886 -149544.0402 298.2028 -183689.7288 -149454.4152 298.6290 61.9226 95.7551 555800.9148 6.7211 6.6406 PRESSURE: 452600 122.061 -45.6739 82.8273 -45.6739 -80.4334 99.9531 82.8282 99.9525 -16.9267 GPRESSURE: 452600 141.914 -7.19148 42.3376 -111.173 -88.3185 15.7853 6.62389 164.808 68.7998 PRESSAVG: 452600 -29.1698 -14.1023 -47.0651 -14.1023 35.7024 5.97311 -47.0651 5.97312 45.2612 GPRESSAVG: 452600 -29.2592 -13.6114 -45.717 -13.5507 35.3725 5.97911 -46.7163 7.21644 45.2783 TIMING: 452600 CPU: 1349.4, 0.00298586/step Wall: 1349.4, 0.00298586/step, 3.77164 hours remaining, 206.667969 MB of memory in use. ENERGY: 452600 722.2332 2136.0553 1943.1506 120.9716 -206352.9600 17795.0594 0.0000 0.0000 34339.1820 -149296.3078 299.8926 -183635.4898 -149205.2958 299.0489 8.2338 40.7984 556700.8769 17.2646 17.1305 PRESSURE: 452800 92.7291 33.7082 182.818 33.7068 -191.174 -20.5875 182.818 -20.5873 -3.47625 GPRESSURE: 452800 75.775 38.0475 195.424 76.0821 -139.343 -36.4019 211.595 -43.5687 61.4371 PRESSAVG: 452800 -5.14759 48.7006 29.637 48.7005 -7.24966 -59.5857 29.6369 -59.5857 4.55524 GPRESSAVG: 452800 -5.36767 47.89 30.1542 47.6516 -7.76967 -59.7334 29.9197 -59.5008 5.21913 TIMING: 452800 CPU: 1349.99, 0.00297228/step Wall: 1349.99, 0.00297228/step, 3.75432 hours remaining, 206.667969 MB of memory in use. ENERGY: 452800 724.3205 2057.9950 1942.1642 120.8476 -206193.4373 17616.8785 0.0000 0.0000 34343.1969 -149388.0346 299.9277 -183731.2314 -149284.4599 298.5049 -33.9738 -0.7102 556674.1819 -2.6140 -2.6394 PRESSURE: 453000 -232.01 -92.6429 -112.064 -92.6436 -124.213 56.8261 -112.065 56.8241 -241.335 GPRESSURE: 453000 -218.723 -107.468 -143.095 -60.2842 -51.238 -24.271 -51.1713 31.5078 -219.779 PRESSAVG: 453000 -46.7516 -18.7862 -53.4885 -18.7862 26.4312 -11.2084 -53.4885 -11.2085 29.8711 GPRESSAVG: 453000 -45.576 -17.0822 -54.5643 -20.347 26.6222 -12.1909 -52.978 -11.7845 28.2723 TIMING: 453000 CPU: 1350.59, 0.00299863/step Wall: 1350.59, 0.00299863/step, 3.78744 hours remaining, 206.667969 MB of memory in use. ENERGY: 453000 723.9736 2117.9246 1928.6115 110.1563 -206048.7944 17583.1462 0.0000 0.0000 34461.1878 -149123.7943 300.9581 -183584.9821 -149030.0736 299.4929 -199.1862 -163.2467 557040.5454 3.1835 3.1061 PRESSURE: 453200 -31.8391 49.7622 -104.184 49.762 34.7352 48.9325 -104.184 48.9337 -109.488 GPRESSURE: 453200 -30.5446 57.2524 -90.9211 -32.7192 59.6256 48.5633 -31.1255 -36.2199 -22.2775 PRESSAVG: 453200 60.038 -0.717099 5.22162 -0.717046 -9.77173 14.2146 5.22157 14.2147 -14.7718 GPRESSAVG: 453200 59.5229 -1.38357 7.23865 -0.0355853 -9.59044 13.5095 2.611 15.1474 -14.1726 TIMING: 453200 CPU: 1351.18, 0.00295655/step Wall: 1351.18, 0.00295655/step, 3.73412 hours remaining, 206.667969 MB of memory in use. ENERGY: 453200 735.8406 2084.9481 1945.3576 122.2037 -205962.9193 17734.9629 0.0000 0.0000 34100.5582 -149239.0482 297.8087 -183339.6064 -149140.4900 299.7754 -35.5306 2.2678 557228.7227 11.8315 11.9199 PRESSURE: 453400 -73.1776 -23.1186 24.6745 -23.117 -57.7375 -102.852 24.6747 -102.852 -48.5406 GPRESSURE: 453400 -25.6301 -7.86013 26.0028 -43.1821 -95.7308 -44.2863 49.6766 -147.297 45.6144 PRESSAVG: 453400 30.2845 -40.4316 6.67962 -40.4316 -40.6277 -19.8974 6.6797 -19.8973 26.5885 GPRESSAVG: 453400 30.0026 -39.484 5.93875 -38.8017 -41.1809 -18.9922 8.24526 -19.9291 26.5866 TIMING: 453400 CPU: 1351.77, 0.00296763/step Wall: 1351.77, 0.00296763/step, 3.74795 hours remaining, 206.667969 MB of memory in use. ENERGY: 453400 770.0918 2077.7680 1931.3100 109.9334 -206015.3424 17662.0348 0.0000 0.0000 34414.2681 -149049.9363 300.5484 -183464.2044 -148955.6197 299.5630 -59.8186 -25.2488 556540.8997 5.4151 5.1361 PRESSURE: 453600 -107.858 -12.7852 120.957 -12.7855 283.414 -19.3514 120.958 -19.351 189.817 GPRESSURE: 453600 2.34139 48.4893 -10.579 -186.766 295.694 -22.1002 189.105 56.7738 171.405 PRESSAVG: 453600 23.9886 -3.44172 24.9155 -3.44161 25.5857 8.41823 24.9156 8.41825 -34.0167 GPRESSAVG: 453600 23.1689 -4.84983 23.6215 -3.78394 25.7217 8.53557 24.7107 7.77651 -33.3863 TIMING: 453600 CPU: 1352.37, 0.00299661/step Wall: 1352.37, 0.00299661/step, 3.78438 hours remaining, 206.667969 MB of memory in use. ENERGY: 453600 711.4229 2069.6011 1964.9849 111.0378 -205957.0255 17824.0169 0.0000 0.0000 34196.9610 -149079.0008 298.6506 -183275.9618 -148985.4385 299.9190 121.7913 156.4801 556409.0821 5.1859 5.1681 PRESSURE: 453800 -49.1581 92.3788 -119.356 92.3788 -127.935 116.272 -119.359 116.272 -89.2182 GPRESSURE: 453800 4.78573 93.4412 -104.758 64.0924 -113.752 115.488 -75.237 142.345 -54.3757 PRESSAVG: 453800 8.66305 -13.3488 -44.1559 -13.3487 55.426 45.3391 -44.1559 45.3391 -45.5091 GPRESSAVG: 453800 8.96682 -14.9369 -44.5508 -11.8076 56.891 46.2913 -44.2044 44.3974 -46.9909 TIMING: 453800 CPU: 1352.97, 0.00296501/step Wall: 1352.97, 0.00296501/step, 3.74431 hours remaining, 206.667969 MB of memory in use. ENERGY: 453800 744.8091 2066.4826 1939.1260 107.9104 -206358.7987 17777.6173 0.0000 0.0000 34501.0603 -149221.7931 301.3063 -183722.8533 -149127.0287 298.9977 -88.7703 -54.4472 557627.8447 6.1933 6.2890 PRESSURE: 454000 -14.0892 38.4241 -71.489 38.4225 -79.3805 -213.406 -71.4885 -213.406 -132.894 GPRESSURE: 454000 -30.1503 53.3837 -74.4372 28.9884 -48.2349 -204.846 -111.941 -256.402 -51.8381 PRESSAVG: 454000 34.7973 26.3277 3.2932 26.3276 -28.7731 4.15872 3.29325 4.15867 -20.6664 GPRESSAVG: 454000 34.354 27.2221 1.60043 26.2861 -29.2224 3.76408 5.97366 5.25032 -19.5753 TIMING: 454000 CPU: 1353.56, 0.0029573/step Wall: 1353.56, 0.0029573/step, 3.73441 hours remaining, 206.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 454000 731.1367 2097.1396 1976.0267 112.5608 -206116.3528 17854.4434 0.0000 0.0000 34246.0763 -149098.9691 299.0795 -183345.0454 -149001.3662 299.4643 -75.4544 -43.4078 557179.6390 -4.8807 -4.8146 PRESSURE: 454200 19.0974 42.5116 78.0517 42.5107 -54.1873 0.917325 78.0517 0.917894 -323.62 GPRESSURE: 454200 -19.2676 -44.0302 125.014 155.394 50.0414 -75.3063 39.7929 25.095 -288.495 PRESSAVG: 454200 43.3442 -42.7569 22.3127 -42.7569 36.2798 -40.4271 22.3126 -40.4269 -34.3161 GPRESSAVG: 454200 44.0674 -43.7262 26.0725 -41.6387 36.8103 -40.8228 18.2945 -41.2219 -35.6114 TIMING: 454200 CPU: 1354.15, 0.00295227/step Wall: 1354.15, 0.00295227/step, 3.7279 hours remaining, 206.667969 MB of memory in use. ENERGY: 454200 744.9065 2029.6565 1933.3176 112.5462 -205819.7526 17526.6114 0.0000 0.0000 34404.1366 -149068.5779 300.4599 -183472.7145 -148962.7123 300.0361 -119.5701 -85.9071 557255.5250 15.1026 15.0887 PRESSURE: 454400 -218.655 -67.7749 -40.1342 -67.7744 -262.881 -83.6256 -40.1348 -83.626 -130.365 GPRESSURE: 454400 -202.442 9.91665 19.8496 -44.9022 -217.604 -128.209 10.8735 -99.0277 -86.9423 PRESSAVG: 454400 50.994 -17.8323 -1.00614 -17.8323 5.27987 1.68818 -1.00617 1.68833 -60.1031 GPRESSAVG: 454400 50.7041 -16.0179 -1.61226 -20.3379 5.232 2.52614 -1.0171 1.12027 -59.0379 TIMING: 454400 CPU: 1354.75, 0.00298593/step Wall: 1354.75, 0.00298593/step, 3.77023 hours remaining, 206.667969 MB of memory in use. ENERGY: 454400 726.8848 2094.8348 1933.0017 100.0843 -205725.3122 17478.2240 0.0000 0.0000 34219.7243 -149172.5583 298.8494 -183392.2825 -149068.5067 299.6457 -203.9671 -168.9958 559087.7275 -1.2764 -1.0339 PRESSURE: 454600 -289.357 74.7857 95.7928 74.7845 -185.41 -77.1766 95.793 -77.1766 -252.059 GPRESSURE: 454600 -234.174 -11.3957 206.238 165.094 -199.491 -126.507 27.7578 -1.90246 -189.326 PRESSAVG: 454600 -19.3304 -22.9058 -2.97499 -22.9057 45.067 -48.8442 -2.97508 -48.8442 -29.4029 GPRESSAVG: 454600 -18.7353 -23.3035 -4.5794 -21.4297 44.8272 -51.208 -1.06921 -47.6096 -29.6231 TIMING: 454600 CPU: 1355.34, 0.00297346/step Wall: 1355.34, 0.00297346/step, 3.75433 hours remaining, 206.667969 MB of memory in use. ENERGY: 454600 760.9743 2099.8158 1978.7561 99.2380 -205720.9313 17489.1657 0.0000 0.0000 34342.5656 -148950.4158 299.9222 -183292.9814 -148864.9278 300.3225 -242.2751 -207.6639 558848.3249 -1.2221 -1.1771 PRESSURE: 454800 -22.4328 57.6175 -186.239 57.6165 -144.06 148.41 -186.238 148.411 -242.945 GPRESSURE: 454800 -10.7076 22.6238 -302.331 106.044 -155.721 169.54 -169.596 85.8675 -141.258 PRESSAVG: 454800 59.4256 63.4163 -15.5709 63.4164 -3.11995 17.7837 -15.5708 17.7837 -81.628 GPRESSAVG: 454800 59.4183 62.7051 -16.6023 64.5733 -3.589 21.1688 -16.194 16.0575 -80.2414 TIMING: 454800 CPU: 1355.94, 0.00297911/step Wall: 1355.94, 0.00297911/step, 3.76129 hours remaining, 206.667969 MB of memory in use. ENERGY: 454800 740.4846 2010.2129 1921.0502 117.1784 -205322.8993 17529.0583 0.0000 0.0000 33957.1449 -149047.7701 296.5562 -183004.9149 -148956.6431 299.7521 -136.4791 -102.5620 559905.6038 -8.4408 -8.1374 PRESSURE: 455000 -254.967 -70.0646 14.4866 -70.0651 209.165 65.762 14.487 65.7615 -113.012 GPRESSURE: 455000 -192.04 -119.957 78.6724 -56.1292 203.78 -7.53402 15.3248 73.0009 -69.5474 PRESSAVG: 455000 -26.3822 19.2285 -46.0293 19.2284 41.8164 63.3626 -46.0293 63.3627 -23.5541 GPRESSAVG: 455000 -25.7154 20.2531 -42.7279 17.5583 42.0494 62.1693 -46.8843 63.9926 -24.9394 TIMING: 455000 CPU: 1356.53, 0.00298289/step Wall: 1356.53, 0.00298289/step, 3.7659 hours remaining, 206.667969 MB of memory in use. ENERGY: 455000 734.8794 2032.5915 1925.8938 110.6509 -205829.6613 17692.8140 0.0000 0.0000 34378.6930 -148954.1386 300.2377 -183332.8316 -148856.6143 299.0475 -52.9380 -19.2691 557782.7180 -2.7066 -2.8685 PRESSURE: 455200 111.019 -78.7079 116.243 -78.7079 124.174 -52.1521 116.243 -52.1522 -63.225 GPRESSURE: 455200 129.55 3.41937 7.59641 -83.2921 142.362 -99.8727 226.122 -1.23414 -4.62268 PRESSAVG: 455200 -42.6534 -6.54037 30.8616 -6.54045 33.1798 64.4368 30.8616 64.4369 -11.1966 GPRESSAVG: 455200 -42.8512 -6.84565 30.9269 -8.95978 33.5312 65.8677 32.4659 63.2808 -11.3481 TIMING: 455200 CPU: 1357.12, 0.00294922/step Wall: 1357.12, 0.00294922/step, 3.72322 hours remaining, 206.667969 MB of memory in use. ENERGY: 455200 702.5404 2147.5059 1909.4628 118.0463 -205915.8976 17731.9533 0.0000 0.0000 34353.5207 -148952.8681 300.0178 -183306.3888 -148852.2824 299.6715 57.3225 89.0965 557518.4066 -6.8901 -6.8894 PRESSURE: 455400 206.144 72.4601 137.787 72.4591 -26.8521 -139.502 137.788 -139.501 348.309 GPRESSURE: 455400 149.104 74.1571 217.244 152.904 61.4045 -97.5013 76.251 -153.815 419.432 PRESSAVG: 455400 3.73758 9.55386 0.968106 9.55391 13.7443 -76.8726 0.968119 -76.8727 1.95909 GPRESSAVG: 455400 3.95622 9.43122 0.747203 11.6035 13.4923 -78.857 1.17129 -76.5503 2.10423 TIMING: 455400 CPU: 1357.71, 0.00295893/step Wall: 1357.71, 0.00295893/step, 3.73533 hours remaining, 206.667969 MB of memory in use. ENERGY: 455400 717.2445 2118.5812 1949.5640 103.5865 -206252.9005 17862.0191 0.0000 0.0000 34412.7974 -149089.1077 300.5355 -183501.9052 -148992.0510 299.6179 175.8670 209.9802 555554.4039 6.4803 6.5176 PRESSURE: 455600 -32.4457 101.056 65.8086 101.055 -52.7545 -68.293 65.8078 -68.2944 -60.2098 GPRESSURE: 455600 44.7961 80.2253 86.5351 128.625 -11.5915 -78.2107 30.6003 -53.971 -85.2243 PRESSAVG: 455600 -66.8158 66.0432 7.08356 66.0431 -21.0913 -25.6833 7.08352 -25.6834 107.092 GPRESSAVG: 455600 -68.1435 64.3163 5.02141 66.0373 -20.4147 -26.9086 7.71423 -24.149 107.575 TIMING: 455600 CPU: 1358.3, 0.00294871/step Wall: 1358.3, 0.00294871/step, 3.72226 hours remaining, 206.667969 MB of memory in use. ENERGY: 455600 731.0502 2027.1854 1942.2261 120.9315 -206157.9231 17694.6191 0.0000 0.0000 34411.5633 -149230.3475 300.5247 -183641.9108 -149133.1449 299.8466 -48.4700 -17.3399 556699.4291 6.3951 6.3390 PRESSURE: 455800 133.063 93.412 -35.5764 93.412 233.476 -49.5562 -35.5767 -49.5577 -125.5 GPRESSURE: 455800 109.09 100.129 56.0602 100.652 270.135 -74.3009 -88.3964 -2.65503 -37.162 PRESSAVG: 455800 15.7455 45.4708 12.3157 45.4707 -26.287 -39.8073 12.3157 -39.8073 -7.83467 GPRESSAVG: 455800 17.5046 45.4601 13.0872 46.4448 -27.3596 -39.1306 11.7576 -41.1911 -8.99412 TIMING: 455800 CPU: 1358.89, 0.00294419/step Wall: 1358.89, 0.00294419/step, 3.71639 hours remaining, 206.667969 MB of memory in use. ENERGY: 455800 725.8590 2018.7354 1937.6021 128.5391 -206478.3523 17936.2989 0.0000 0.0000 34379.3154 -149352.0025 300.2431 -183731.3179 -149254.2837 299.4914 80.3465 114.0211 555790.3976 -6.1254 -6.2830 PRESSURE: 456000 82.1694 -152.532 -25.7986 -152.533 223.835 -161.798 -25.7986 -161.797 -0.0884602 GPRESSURE: 456000 187.246 -156.217 1.648 -99.1056 224.439 -161.709 -33.1677 -183.474 -2.30875 PRESSAVG: 456000 16.9796 -16.5051 27.7388 -16.505 34.6512 -81.1204 27.7389 -81.1205 -54.5012 GPRESSAVG: 456000 15.5765 -14.1372 27.0352 -16.762 35.1926 -78.8935 29.1566 -81.5239 -53.074 TIMING: 456000 CPU: 1359.48, 0.00294254/step Wall: 1359.48, 0.00294254/step, 3.71414 hours remaining, 206.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 456000 725.2306 2044.5991 1931.9544 111.9114 -206220.9014 17916.7320 0.0000 0.0000 34086.6605 -149403.8133 297.6873 -183490.4739 -149303.2371 298.7081 101.9720 136.4590 556392.6800 -0.9568 -0.7683 PRESSURE: 456200 79.8467 -9.2767 230.464 -9.27696 -98.7056 -25.7577 230.465 -25.7581 -170.804 GPRESSURE: 456200 96.9113 -49.0467 246.377 -5.07605 -31.4607 14.8863 228.166 -37.7949 -160.699 PRESSAVG: 456200 29.6366 16.1513 -14.0595 16.1512 -8.08173 -0.728828 -14.0594 -0.728903 -9.60057 GPRESSAVG: 456200 29.3933 14.2491 -13.1678 14.5202 -9.04918 -3.64035 -17.0844 0.626469 -9.00718 TIMING: 456200 CPU: 1360.08, 0.00297898/step Wall: 1360.08, 0.00297898/step, 3.75997 hours remaining, 206.667969 MB of memory in use. ENERGY: 456200 722.9342 2126.2570 1958.1365 112.8420 -205974.5081 17649.4096 0.0000 0.0000 34079.7069 -149325.2220 297.6266 -183404.9289 -149229.3805 298.7897 -63.2210 -31.7495 556625.6833 3.9848 3.7790 LDB: ============= START OF LOAD BALANCING ============== 1363.62 LDB: ============== END OF LOAD BALANCING =============== 1363.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1363.63 LDB: ============= START OF LOAD BALANCING ============== 1363.92 LDB: Largest compute 4796 load 0.029274 is 24.8% of average load 0.117933 LDB: Average compute 0.001753 is 1.5% of average load 0.117933 LDB: TIME 1363.93 LOAD: AVG 0.117933 MAX 0.202582 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.953 MB LDB: TIME 1363.93 LOAD: AVG 0.117933 MAX 0.202582 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.953 MB LDB: TIME 1363.93 LOAD: AVG 0.117933 MAX 0.202582 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.953 MB LDB: ============== END OF LOAD BALANCING =============== 1363.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1363.93 PRESSURE: 456400 181.787 -36.0734 33.5628 -36.0741 163.213 -43.3376 33.5628 -43.338 310.159 GPRESSURE: 456400 251.15 -67.7683 182.554 -124.209 148.545 -30.776 3.68694 -23.0649 348.44 PRESSAVG: 456400 17.2303 -41.7966 31.4131 -41.7966 23.5099 59.095 31.413 59.0951 1.56474 GPRESSAVG: 456400 17.479 -42.3084 31.811 -38.4217 24.2364 58.1254 32.8342 58.6891 0.881822 TIMING: 456400 CPU: 1360.68, 0.00302336/step Wall: 1360.68, 0.00302336/step, 3.81582 hours remaining, 207.496094 MB of memory in use. ENERGY: 456400 743.3059 2078.3631 1941.8558 106.2047 -206657.2846 18091.7429 0.0000 0.0000 34286.9224 -149408.8898 299.4362 -183695.8122 -149320.3117 299.1552 218.3863 249.3784 555015.3215 14.1016 14.1991 PRESSURE: 456600 -152.454 -104.028 150.294 -104.029 7.65201 -69.3675 150.294 -69.3676 -120.472 GPRESSURE: 456600 -99.6519 -91.9212 149.399 -117.379 21.5413 -26.783 170.267 -21.4768 -90.0725 PRESSAVG: 456600 -35.447 28.014 -43.6878 28.014 -4.0881 -16.3766 -43.6878 -16.3766 36.7459 GPRESSAVG: 456600 -35.5767 30.2689 -43.9443 24.9112 -3.69348 -13.9856 -43.6974 -17.4597 36.4926 TIMING: 456600 CPU: 1361.27, 0.00295632/step Wall: 1361.27, 0.00295632/step, 3.73103 hours remaining, 207.699219 MB of memory in use. ENERGY: 456600 779.2312 2167.6331 1936.3263 124.3531 -206238.7679 17676.6412 0.0000 0.0000 34175.7175 -149378.8656 298.4650 -183554.5831 -149289.2717 299.5384 -88.4246 -56.0611 556569.3119 -0.9297 -0.9259 PRESSURE: 456800 -62.2356 -92.7921 -63.4464 -92.7912 -74.3259 -53.3469 -63.4473 -53.3488 -201.041 GPRESSURE: 456800 -58.1967 -99.6534 -147.164 -39.7458 -70.0775 -91.6393 -3.59622 -31.0595 -97.9738 PRESSAVG: 456800 -16.2421 38.3512 -22.9825 38.3512 19.9247 -17.6288 -22.9825 -17.6289 8.35429 GPRESSAVG: 456800 -15.6652 35.8888 -23.9433 39.674 18.3563 -19.7109 -21.7276 -17.4015 9.50756 TIMING: 456800 CPU: 1361.87, 0.0029732/step Wall: 1361.87, 0.0029732/step, 3.75218 hours remaining, 207.699219 MB of memory in use. ENERGY: 456800 740.9770 2088.5301 1965.6983 129.8932 -206335.7055 17671.3128 0.0000 0.0000 34240.6563 -149498.6378 299.0322 -183739.2941 -149403.2463 299.3098 -112.5343 -75.4160 555989.4311 4.0123 4.0662 PRESSURE: 457000 -208.196 66.6781 -34.5463 66.6784 43.7678 -56.5486 -34.5473 -56.5503 -147.367 GPRESSURE: 457000 -151.876 -46.229 5.97779 99.4705 50.0003 -8.97089 65.1857 -70.2347 -105.754 PRESSAVG: 457000 47.8096 -40.5236 -49.0822 -40.5235 49.3505 25.647 -49.0823 25.6471 -30.6103 GPRESSAVG: 457000 47.7427 -41.179 -47.3912 -40.7561 49.3297 27.1227 -49.4046 25.7404 -30.6827 TIMING: 457000 CPU: 1362.46, 0.00297419/step Wall: 1362.46, 0.00297419/step, 3.75326 hours remaining, 207.699219 MB of memory in use. ENERGY: 457000 772.5105 2055.9477 1976.6551 107.8393 -206263.6484 17708.0201 0.0000 0.0000 34244.8280 -149397.8477 299.0686 -183642.6756 -149298.0770 299.4559 -103.9316 -69.2099 555553.1932 22.1833 22.1299 PRESSURE: 457200 3.89916 -122.848 -86.3695 -122.848 53.2212 119 -86.369 119.001 101.334 GPRESSURE: 457200 41.0877 -43.884 -106.166 -158.919 80.9794 128.065 -130.316 109.603 132.954 PRESSAVG: 457200 -24.1967 19.5977 14.9399 19.5976 -18.2833 8.09934 14.9399 8.09932 2.3754 GPRESSAVG: 457200 -24.9502 21.3456 13.1795 20.1465 -16.7615 9.04114 16.1704 7.3239 2.12025 TIMING: 457200 CPU: 1363.06, 0.00296463/step Wall: 1363.06, 0.00296463/step, 3.74104 hours remaining, 207.699219 MB of memory in use. ENERGY: 457200 728.8336 2120.8211 1922.6938 109.2584 -206423.4528 17852.2645 0.0000 0.0000 34373.6117 -149315.9697 300.1933 -183689.5814 -149213.1316 298.8094 52.8182 85.0072 557267.9230 -13.3682 -13.1971 PRESSURE: 457400 43.5355 47.8397 26.6501 47.8393 34.759 133.052 26.6485 133.051 -239.898 GPRESSURE: 457400 117.183 108.469 73.946 13.7073 37.4074 161.934 28.2694 138.56 -215.092 PRESSAVG: 457400 -8.3303 -46.1296 15.3289 -46.1297 -27.2909 -21.7127 15.3287 -21.7127 1.65757 GPRESSAVG: 457400 -8.06805 -45.5494 16.7592 -46.6182 -27.4073 -20.966 12.9382 -21.3584 1.02469 TIMING: 457400 CPU: 1363.65, 0.00296865/step Wall: 1363.65, 0.00296865/step, 3.74595 hours remaining, 207.699219 MB of memory in use. ENERGY: 457400 781.8114 2053.4191 1946.9959 117.9527 -206267.5211 17777.9641 0.0000 0.0000 34332.5541 -149256.8238 299.8347 -183589.3779 -149158.5500 299.5813 -53.8678 -20.1671 556334.6777 -11.3212 -11.4835 PRESSURE: 457600 -123.637 -49.4281 -188.11 -49.4288 -27.0975 -108.328 -188.11 -108.327 -303.813 GPRESSURE: 457600 -96.1362 -53.9362 -129.739 -37.0437 -14.8399 -53.8101 -206.868 -149.427 -236.045 PRESSAVG: 457600 67.3353 -24.0404 -30.8209 -24.0404 24.4346 37.4537 -30.8209 37.4537 -57.0592 GPRESSAVG: 457600 66.7528 -27.3093 -31.2677 -22.2757 24.0851 35.9943 -29.8893 37.4139 -55.5847 TIMING: 457600 CPU: 1364.24, 0.0029743/step Wall: 1364.24, 0.0029743/step, 3.75291 hours remaining, 207.699219 MB of memory in use. ENERGY: 457600 783.0785 2056.5755 1945.0080 123.8250 -205849.3825 17622.1253 0.0000 0.0000 34059.4250 -149259.3451 297.4494 -183318.7701 -149163.0496 299.4852 -151.5159 -115.6735 556764.6004 11.5702 11.7511 PRESSURE: 457800 -40.1056 11.1416 171.435 11.141 -78.5519 -12.2268 171.435 -12.2261 178.468 GPRESSURE: 457800 43.1225 30.5349 211.311 -0.202258 -37.3185 13.3509 110.145 31.0173 149.977 PRESSAVG: 457800 -26.1816 -25.8693 7.11938 -25.8692 -26.5342 -18.2759 7.11935 -18.2759 41.8265 GPRESSAVG: 457800 -25.7659 -23.8331 7.0999 -26.733 -27.0929 -18.2372 7.49451 -16.9756 41.8094 TIMING: 457800 CPU: 1364.84, 0.00298564/step Wall: 1364.84, 0.00298564/step, 3.76705 hours remaining, 207.699219 MB of memory in use. ENERGY: 457800 745.0978 2077.9086 1939.8653 120.8560 -206297.8462 17894.5353 0.0000 0.0000 34174.7536 -149344.8294 298.4566 -183519.5831 -149244.7758 298.8727 19.9369 51.9269 555338.1387 -3.6298 -3.6831 PRESSURE: 458000 -124.844 23.0423 56.1679 23.0409 -229.289 24.2381 56.168 24.2394 11.8169 GPRESSURE: 458000 -58.4264 -23.2645 63.081 15.2231 -203.361 44.2141 68.1108 -1.84524 -0.794427 PRESSAVG: 458000 -6.72982 -28.7028 -17.7779 -28.7028 -9.81988 -24.4884 -17.7779 -24.4884 30.8286 GPRESSAVG: 458000 -6.17856 -29.2935 -16.336 -28.3031 -8.01976 -23.6488 -19.0196 -25.3213 28.4276 TIMING: 458000 CPU: 1365.44, 0.00297443/step Wall: 1365.44, 0.00297443/step, 3.75273 hours remaining, 207.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 458000 740.0792 2117.1409 1918.2007 112.2922 -206395.3134 17927.5654 0.0000 0.0000 34222.5709 -149357.4640 298.8742 -183580.0350 -149259.0900 298.5450 -114.1053 -87.5274 558983.5863 4.7596 4.7431 PRESSURE: 458200 -222.562 -167.195 -190.146 -167.195 -122.598 -56.7433 -190.145 -56.7442 -164.316 GPRESSURE: 458200 -156.684 -208.795 -132.838 -147.461 -77.0241 -2.32289 -156.545 -58.6691 -165.648 PRESSAVG: 458200 67.5299 -112.573 13.3686 -112.573 -19.434 -29.6423 13.3685 -29.6423 11.7343 GPRESSAVG: 458200 66.701 -112.839 11.5789 -109.832 -20.3873 -30.919 15.1947 -28.4764 13.8463 TIMING: 458200 CPU: 1366.03, 0.00296021/step Wall: 1366.03, 0.00296021/step, 3.73463 hours remaining, 207.699219 MB of memory in use. ENERGY: 458200 741.2947 2046.2694 1954.3294 119.7300 -206203.9746 17828.9853 0.0000 0.0000 34165.2455 -149348.1204 298.3736 -183513.3659 -149250.1335 299.2385 -169.8249 -133.1187 559942.4318 19.9434 20.0533 PRESSURE: 458400 214.836 -108.663 -159.966 -108.663 97.3389 -0.184629 -159.965 -0.184479 -134.114 GPRESSURE: 458400 186.281 -85.3511 -117.466 -134.889 139.637 34.8931 -130.585 -49.1856 -51.3233 PRESSAVG: 458400 18.6461 -37.2043 -21.282 -37.2043 15.6176 2.79821 -21.282 2.7983 -44.0236 GPRESSAVG: 458400 18.1106 -34.8213 -19.4245 -41.5352 15.7359 4.79163 -20.9532 0.680651 -43.2864 TIMING: 458400 CPU: 1366.62, 0.00295401/step Wall: 1366.62, 0.00295401/step, 3.72665 hours remaining, 207.699219 MB of memory in use. ENERGY: 458400 690.4501 2104.7688 1948.8693 129.8985 -206589.9522 17969.1214 0.0000 0.0000 34493.1773 -149253.6669 301.2375 -183746.8442 -149157.8215 298.9932 59.3535 91.5315 560141.8368 -3.2533 -3.1466 PRESSURE: 458600 -66.4992 209.449 116.313 209.449 -239.673 346.089 116.313 346.088 166.504 GPRESSURE: 458600 -70.7729 241.57 120.519 130.516 -152.95 327.127 91.4839 330.275 176.73 PRESSAVG: 458600 41.4781 46.6671 13.954 46.6671 -31.058 -25.5303 13.954 -25.5302 -4.41791 GPRESSAVG: 458600 43.1862 43.9099 12.1013 47.8273 -31.9893 -26.7469 13.8023 -25.5575 -5.86574 TIMING: 458600 CPU: 1367.21, 0.00296492/step Wall: 1367.21, 0.00296492/step, 3.74024 hours remaining, 207.699219 MB of memory in use. ENERGY: 458600 747.9190 2095.6815 1962.2938 117.4689 -206251.2625 17826.1122 0.0000 0.0000 34295.7701 -149206.0169 299.5135 -183501.7871 -149110.3191 300.0535 -46.5560 -15.6645 557889.8016 2.0007 1.7770 PRESSURE: 458800 -139.337 -117.186 -217.442 -117.186 -131.404 48.5004 -217.442 48.5019 -108.744 GPRESSURE: 458800 -131.195 -28.8032 -210.581 -236.302 -138.394 83.7021 -242.838 104.156 -22.7473 PRESSAVG: 458800 31.601 35.7608 9.3008 35.7608 -35.9905 60.6144 9.30077 60.6146 4.10005 GPRESSAVG: 458800 29.8869 38.9987 10.9951 36.3068 -35.7885 62.8255 7.7389 61.7685 4.85752 TIMING: 458800 CPU: 1367.81, 0.00297268/step Wall: 1367.81, 0.00297268/step, 3.74988 hours remaining, 207.699219 MB of memory in use. ENERGY: 458800 763.1576 2146.2597 1926.5113 101.5306 -205862.0872 17626.4318 0.0000 0.0000 33985.2353 -149312.9610 296.8015 -183298.1963 -149224.0824 299.6033 -126.4949 -97.4451 558225.9937 -0.0965 -0.3480 PRESSURE: 459000 -212.838 14.9114 -13.2435 14.9124 481.176 -10.7433 -13.2439 -10.7432 197.791 GPRESSURE: 459000 -125.412 -4.49926 -83.0894 74.7324 445.029 77.5346 -73.0141 -105.509 240.787 PRESSAVG: 459000 -8.03671 -9.10231 -35.2727 -9.10232 76.1107 85.0543 -35.2727 85.0545 -11.396 GPRESSAVG: 459000 -7.25891 -13.0354 -36.8315 -8.75212 76.0625 82.5689 -35.8192 85.242 -12.2495 TIMING: 459000 CPU: 1368.4, 0.00297864/step Wall: 1368.4, 0.00297864/step, 3.75723 hours remaining, 207.699219 MB of memory in use. ENERGY: 459000 747.9434 2109.5086 1917.5499 107.5155 -206940.8873 18227.4997 0.0000 0.0000 34397.8486 -149433.0215 300.4050 -183830.8701 -149337.8027 298.8371 155.3766 186.8014 557839.4991 18.8927 18.8514 PRESSURE: 459200 -52.9198 -77.879 7.22054 -77.8792 73.9316 65.8118 7.22023 65.8121 136.089 GPRESSURE: 459200 38.2627 -51.0296 76.2247 -128.606 84.6509 73.2093 -38.2219 21.6205 130.146 PRESSAVG: 459200 -53.858 -15.706 -45.5705 -15.706 24.6119 43.2834 -45.5705 43.2833 27.0954 GPRESSAVG: 459200 -53.849 -13.6366 -46.7651 -17.1269 24.4989 41.4828 -44.562 44.6359 27.1849 TIMING: 459200 CPU: 1369, 0.00298133/step Wall: 1369, 0.00298133/step, 3.76045 hours remaining, 207.699219 MB of memory in use. ENERGY: 459200 731.3537 2159.6962 1917.0346 104.7543 -206367.8266 17986.8692 0.0000 0.0000 34038.8397 -149429.2789 297.2697 -183468.1186 -149339.0301 299.8663 52.3670 84.3532 558002.2143 -0.7169 -0.7217 PRESSURE: 459400 -140.037 -150.948 -89.675 -150.95 20.2635 61.887 -89.6763 61.8875 -210.691 GPRESSURE: 459400 -95.8215 -119.047 31.1183 -116.916 16.9747 14.7256 -121.307 106.566 -163.718 PRESSAVG: 459400 27.9649 -20.016 40.9376 -20.0161 16.6031 43.3741 40.9375 43.374 -51.1417 GPRESSAVG: 459400 27.5943 -19.8598 44.0101 -19.554 17.1334 44.4293 40.3881 41.2371 -51.5546 TIMING: 459400 CPU: 1369.59, 0.00293299/step Wall: 1369.59, 0.00293299/step, 3.69932 hours remaining, 207.699219 MB of memory in use. ENERGY: 459400 754.3460 2101.1472 1942.8038 105.6527 -206483.8019 17626.3362 0.0000 0.0000 34444.4531 -149509.0629 300.8120 -183953.5160 -149413.6755 299.5002 -110.1550 -80.8551 556595.6937 -2.1912 -2.2757 PRESSURE: 459600 235.723 48.9321 -4.87513 48.9321 -112.932 -2.0276 -4.87418 -2.02864 287.176 GPRESSURE: 459600 191.394 84.6413 -124.728 130.033 -50.7034 52.2894 49.2786 -75.1459 350.285 PRESSAVG: 459600 -26.0097 5.77975 -9.24385 5.77973 -0.632896 27.7221 -9.24389 27.7221 64.7741 GPRESSAVG: 459600 -25.4632 7.11995 -10.7333 5.40707 -1.62514 28.7923 -8.5505 28.3237 65.0481 TIMING: 459600 CPU: 1370.18, 0.00296753/step Wall: 1370.18, 0.00296753/step, 3.74271 hours remaining, 207.699219 MB of memory in use. ENERGY: 459600 768.9653 2107.7561 1960.1251 117.1278 -206910.6326 18082.2126 0.0000 0.0000 34261.8336 -149612.6122 299.2171 -183874.4458 -149517.8028 298.8517 136.6559 163.6583 555524.0427 12.7105 12.6533 PRESSURE: 459800 -70.5319 -210.574 8.56258 -210.574 98.0619 81.682 8.56229 81.6846 -59.0075 GPRESSURE: 459800 -67.4563 -206.352 -46.3977 -183.398 150.495 127.023 -29.0148 28.9341 -23.3694 PRESSAVG: 459800 -19.2121 55.2558 -16.2599 55.2559 -4.43941 10.5365 -16.2601 10.5364 13.907 GPRESSAVG: 459800 -19.1074 54.7118 -15.982 55.899 -4.74209 11.8925 -15.8402 9.68905 14.0913 TIMING: 459800 CPU: 1370.77, 0.00296298/step Wall: 1370.77, 0.00296298/step, 3.73681 hours remaining, 207.699219 MB of memory in use. ENERGY: 459800 761.1723 2057.8382 1935.4873 103.9978 -206484.6388 17946.7033 0.0000 0.0000 34199.8572 -149479.5829 298.6759 -183679.4400 -149386.6849 298.7893 -10.4925 19.8897 557676.4457 -3.2482 -3.2527 PRESSURE: 460000 -179.163 -75.8839 43.7494 -75.8845 -237.921 -81.7443 43.7505 -81.7443 -269.518 GPRESSURE: 460000 -152.136 -108.056 82.5248 -91.8498 -193.043 -21.4199 9.81626 -72.8425 -224.445 PRESSAVG: 460000 -57.5745 2.31004 -2.91972 2.31007 -16.248 -18.2925 -2.91968 -18.2925 48.2794 GPRESSAVG: 460000 -57.3319 0.756074 -2.08708 3.38208 -15.3301 -18.1625 -3.30326 -17.7245 46.7177 TIMING: 460000 CPU: 1371.37, 0.00297607/step Wall: 1371.37, 0.00297607/step, 3.75315 hours remaining, 207.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 460000 736.0021 2091.4300 1946.1282 102.6483 -206027.9817 17463.7159 0.0000 0.0000 34308.2600 -149379.7974 299.6226 -183688.0574 -149280.3351 299.2110 -228.8673 -189.8747 558275.8005 -8.5144 -8.6481 PRESSURE: 460200 54.0061 -35.3995 -50.4982 -35.3996 -46.0789 -55.5715 -50.4977 -55.5713 -129.609 GPRESSURE: 460200 60.4932 -83.7498 -88.3333 55.48 10.8592 73.0095 26.2767 -95.1439 -91.2287 PRESSAVG: 460200 -0.399354 -19.4747 -17.8953 -19.4748 -8.98643 13.8575 -17.8953 13.8575 9.16437 GPRESSAVG: 460200 -0.743871 -18.8684 -19.1075 -18.8858 -10.0149 15.0139 -17.4974 12.9226 10.1144 TIMING: 460200 CPU: 1371.96, 0.00295698/step Wall: 1371.96, 0.00295698/step, 3.72891 hours remaining, 207.699219 MB of memory in use. ENERGY: 460200 776.6968 2117.3159 1930.6892 103.7090 -206516.7996 17862.9541 0.0000 0.0000 34380.0221 -149345.4126 300.2493 -183725.4348 -149247.4182 299.4269 -40.5607 -6.6255 556386.5315 -0.0738 -0.2148 LDB: ============= START OF LOAD BALANCING ============== 1375.51 LDB: ============== END OF LOAD BALANCING =============== 1375.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1375.51 LDB: ============= START OF LOAD BALANCING ============== 1375.8 LDB: Largest compute 4796 load 0.028894 is 24.5% of average load 0.118074 LDB: Average compute 0.001748 is 1.5% of average load 0.118074 LDB: TIME 1375.8 LOAD: AVG 0.118074 MAX 0.202781 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.02 MB LDB: TIME 1375.8 LOAD: AVG 0.118074 MAX 0.202781 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.223 MB LDB: TIME 1375.8 LOAD: AVG 0.118074 MAX 0.202781 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1375.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1375.81 PRESSURE: 460400 -75.6847 90.9632 127.655 90.9621 -122.721 156.817 127.654 156.816 214.66 GPRESSURE: 460400 12.8487 49.5658 122.442 75.5445 -137.565 193.411 -64.5061 202.578 233.338 PRESSAVG: 460400 10.4268 -34.3188 -14.0627 -34.3189 10.4749 41.8834 -14.0626 41.8833 -8.55339 GPRESSAVG: 460400 10.2439 -33.9926 -15.3027 -38.0968 12.2244 37.7604 -13.2251 45.1462 -10.6563 TIMING: 460400 CPU: 1372.56, 0.00301045/step Wall: 1372.56, 0.00301045/step, 3.79618 hours remaining, 206.667969 MB of memory in use. ENERGY: 460400 724.7196 2100.9674 1948.6545 104.6516 -206645.7801 18038.8458 0.0000 0.0000 34224.2704 -149503.6707 298.8891 -183727.9412 -149406.3422 298.9426 5.4179 36.2075 556965.9629 4.1161 3.9373 PRESSURE: 460600 186.897 -2.77435 -8.64127 -2.77532 -131.553 -164.788 -8.64149 -164.79 -164.534 GPRESSURE: 460600 198.843 13.695 -130.787 -97.0674 -90.1922 -125.671 22.4737 -180.46 -123.406 PRESSAVG: 460600 -17.8925 -57.3164 -33.1674 -57.3164 27.5241 -9.22377 -33.1674 -9.22371 32.3187 GPRESSAVG: 460600 -18.9181 -57.3251 -33.32 -54.0463 25.582 -8.24263 -32.1863 -10.9168 34.8781 TIMING: 460600 CPU: 1373.15, 0.00294832/step Wall: 1373.15, 0.00294832/step, 3.71767 hours remaining, 206.667969 MB of memory in use. ENERGY: 460600 739.5383 2098.8152 1920.1237 117.5280 -206000.9526 17657.8016 0.0000 0.0000 34052.0342 -149415.1116 297.3849 -183467.1459 -149326.5491 298.7641 -36.3967 -4.9182 556615.3261 13.9835 13.8473 PRESSURE: 460800 184.845 180.999 -9.9865 181.001 94.0153 147.41 -9.98578 147.409 -150.882 GPRESSURE: 460800 263.543 206.846 4.56314 210.521 105.373 117.942 17.7878 145.995 -146.361 PRESSAVG: 460800 3.90508 35.4888 30.7419 35.4888 42.7662 49.3614 30.7419 49.3612 -8.30732 GPRESSAVG: 460800 4.20722 35.2043 33.3576 33.908 43.9378 50.9502 27.0492 50.0195 -10.4411 TIMING: 460800 CPU: 1373.74, 0.00296784/step Wall: 1373.74, 0.00296784/step, 3.74212 hours remaining, 206.667969 MB of memory in use. ENERGY: 460800 733.1957 2101.7329 1935.6005 121.0542 -206115.1511 17502.2776 0.0000 0.0000 34323.3770 -149397.9131 299.7546 -183721.2902 -149304.3764 298.7892 42.6594 74.1854 555985.1591 12.7880 12.5680 PRESSURE: 461000 -32.7365 -124.975 91.839 -124.974 -16.6024 116.324 91.8399 116.325 21.7953 GPRESSURE: 461000 -23.6093 -206.891 45.0672 -123.528 30.0357 73.9551 136.969 133.722 50.0434 PRESSAVG: 461000 -24.583 52.5841 21.2224 52.5841 55.1805 -2.74293 21.2224 -2.74306 -23.6916 GPRESSAVG: 461000 -23.7635 53.5827 21.7201 54.1181 54.6287 -5.06382 22.4489 -1.854 -23.7616 TIMING: 461000 CPU: 1374.33, 0.00294834/step Wall: 1374.33, 0.00294834/step, 3.71736 hours remaining, 206.667969 MB of memory in use. ENERGY: 461000 727.6193 2062.0215 1948.1644 104.3287 -206173.7373 17635.4945 0.0000 0.0000 34226.0504 -149470.0585 298.9046 -183696.1089 -149377.6914 299.5724 -9.1812 18.8233 555770.2996 2.3020 2.3679 PRESSURE: 461200 140.712 -50.5259 -163.553 -50.5256 -13.0348 -20.5541 -163.554 -20.5539 -355.674 GPRESSURE: 461200 143.619 -132.951 -179.27 -33.1378 33.1361 -75.2848 -144.978 -19.6548 -310.177 PRESSAVG: 461200 -1.80899 -1.28559 -26.9987 -1.28553 -0.728842 34.2045 -26.9987 34.2045 0.264613 GPRESSAVG: 461200 -1.81542 -0.744094 -27.2513 -2.2094 -0.528623 36.1471 -27.4477 32.4303 -0.0100343 TIMING: 461200 CPU: 1374.93, 0.00297315/step Wall: 1374.93, 0.00297315/step, 3.74848 hours remaining, 206.667969 MB of memory in use. ENERGY: 461200 799.7911 2022.3599 1946.8775 107.9523 -206222.9643 17798.7470 0.0000 0.0000 34038.5471 -149508.6894 297.2671 -183547.2365 -149426.1597 299.1446 -75.9989 -44.4737 555924.1968 -0.7577 -0.7847 PRESSURE: 461400 91.3762 -73.3293 161.526 -73.3307 199.268 -90.3528 161.526 -90.352 73.1089 GPRESSURE: 461400 211.604 -67.5619 209.475 5.07724 153.881 -69.6677 85.5934 -141.447 91.1868 PRESSAVG: 461400 14.3575 -46.5979 6.93455 -46.5979 -10.3144 12.0819 6.9346 12.0818 30.6414 GPRESSAVG: 461400 15.4658 -47.9192 7.36823 -46.0857 -11.3561 11.0068 7.70105 13.2522 30.2511 TIMING: 461400 CPU: 1375.52, 0.00297321/step Wall: 1375.52, 0.00297321/step, 3.7484 hours remaining, 206.667969 MB of memory in use. ENERGY: 461400 733.2864 2053.3942 1911.4964 115.6894 -206731.3597 17934.4580 0.0000 0.0000 34567.2514 -149415.7839 301.8844 -183983.0353 -149313.6123 298.5764 121.2509 152.2237 556240.2707 11.5615 11.4536 PRESSURE: 461600 131.059 -111.298 -159.976 -111.299 71.3344 -92.3595 -159.977 -92.3604 55.881 GPRESSURE: 461600 166.637 -111.629 -220.522 -96.6849 107.55 -95.3622 -157.413 -38.8306 83.3036 PRESSAVG: 461600 15.4926 28.2089 11.3561 28.209 -10.4265 -3.91781 11.3561 -3.91782 5.48631 GPRESSAVG: 461600 13.1877 30.1587 9.9271 27.4528 -8.80902 -4.39774 12.654 -3.63272 5.44694 TIMING: 461600 CPU: 1376.12, 0.0029702/step Wall: 1376.12, 0.0029702/step, 3.74443 hours remaining, 206.667969 MB of memory in use. ENERGY: 461600 747.4291 2063.6338 1935.1372 106.1197 -206086.9030 17901.5992 0.0000 0.0000 33988.4097 -149344.5742 296.8292 -183332.9840 -149247.4720 299.0012 86.0914 119.1636 556850.6202 3.5175 3.2752 PRESSURE: 461800 52.4543 -50.9494 -103.656 -50.9507 135.742 74.9834 -103.656 74.9853 96.291 GPRESSURE: 461800 83.2424 -121.962 -24.6908 -1.73075 175.616 64.9802 -100.353 44.454 116.33 PRESSAVG: 461800 -1.53068 15.2167 -21.9656 15.2166 16.651 21.2457 -21.9656 21.2457 -18.4159 GPRESSAVG: 461800 -0.573689 16.0587 -19.3118 14.6864 14.9375 23.6408 -25.691 20.7758 -18.5806 TIMING: 461800 CPU: 1376.71, 0.00298053/step Wall: 1376.71, 0.00298053/step, 3.75729 hours remaining, 206.667969 MB of memory in use. ENERGY: 461800 742.4951 2054.8708 1916.4559 105.5776 -206337.7661 17852.4274 0.0000 0.0000 34250.9825 -149414.9567 299.1223 -183665.9393 -149317.0592 298.6981 94.8293 125.0626 557841.4488 -1.0985 -1.4056 PRESSURE: 462000 -172.683 -52.5248 10.2915 -52.5259 -611.111 -185.508 10.2907 -185.509 -30.3131 GPRESSURE: 462000 -135.797 -32.573 27.4443 -80.6907 -582.757 -153.806 -70.7758 -209.754 9.14064 PRESSAVG: 462000 8.77854 8.2053 12.1504 8.20529 -30.777 -31.876 12.1504 -31.8759 22.1066 GPRESSAVG: 462000 8.03867 8.61383 6.58438 8.36592 -30.4083 -32.0844 15.3178 -32.4538 22.0002 TIMING: 462000 CPU: 1377.31, 0.00298532/step Wall: 1377.31, 0.00298532/step, 3.76317 hours remaining, 206.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 462000 765.6731 2065.1004 1919.3542 118.5636 -205942.9985 17596.9937 0.0000 0.0000 34118.4442 -149358.8693 297.9649 -183477.3135 -149261.3097 299.0702 -271.3691 -236.4709 557503.9936 0.0361 -0.1231 PRESSURE: 462200 133.062 12.8292 8.59199 12.828 79.2641 -32.5488 8.59273 -32.5478 216.318 GPRESSURE: 462200 184.895 -0.476343 -20.3319 -27.9588 163.158 -46.817 -32.2206 4.79005 175.383 PRESSAVG: 462200 27.9681 -14.4555 2.08656 -14.4555 -39.5109 -28.9284 2.08656 -28.9283 7.65812 GPRESSAVG: 462200 27.2654 -15.6781 3.6912 -14.9905 -39.3804 -29.935 1.25228 -29.2144 8.40551 TIMING: 462200 CPU: 1377.9, 0.00294836/step Wall: 1377.9, 0.00294836/step, 3.71641 hours remaining, 206.667969 MB of memory in use. ENERGY: 462200 735.6852 2118.9675 1908.3502 107.2242 -206445.4221 17971.1656 0.0000 0.0000 33958.5348 -149645.4946 296.5683 -183604.0294 -149549.2739 298.6048 142.8814 174.4788 556915.9934 -1.2949 -1.2365 PRESSURE: 462400 -136.731 -36.4201 82.9982 -36.4184 -18.6997 60.1135 82.9986 60.1134 23.2932 GPRESSURE: 462400 -76.1767 -74.4623 120.092 -11.679 28.3084 99.4712 51.2851 84.5015 6.73939 PRESSAVG: 462400 -65.0889 -54.15 -34.2185 -54.1499 29.9265 2.5436 -34.2183 2.54357 20.0585 GPRESSAVG: 462400 -64.6659 -53.4557 -33.5758 -54.849 29.8282 1.51289 -33.5518 4.10282 19.651 TIMING: 462400 CPU: 1378.49, 0.00295115/step Wall: 1378.49, 0.00295115/step, 3.71976 hours remaining, 206.667969 MB of memory in use. ENERGY: 462400 731.1675 2083.4556 1935.8173 113.2785 -206297.3562 17798.9900 0.0000 0.0000 34111.6794 -149522.9679 297.9058 -183634.6473 -149427.9199 298.0020 -44.0458 -13.7096 556903.8268 -5.0346 -5.0622 PRESSURE: 462600 -152.022 41.7218 -34.9151 41.7216 -27.2923 190.313 -34.9149 190.313 -71.5819 GPRESSURE: 462600 -120.151 1.75696 -82.2157 16.7814 -27.521 180.936 38.5187 218.279 -6.7184 PRESSAVG: 462600 15.5223 39.98 66.068 39.9799 -7.98753 34.601 66.068 34.6011 28.5494 GPRESSAVG: 462600 15.1143 37.9361 66.84 42.826 -7.6268 36.1998 66.1232 31.7224 28.8363 TIMING: 462600 CPU: 1379.08, 0.00294988/step Wall: 1379.08, 0.00294988/step, 3.718 hours remaining, 206.667969 MB of memory in use. ENERGY: 462600 737.9668 2058.9448 1943.3323 114.6789 -206468.5392 17828.4284 0.0000 0.0000 34094.1963 -149690.9916 297.7531 -183785.1879 -149600.3531 298.6846 -83.6322 -51.4636 557300.3676 12.0281 12.1079 PRESSURE: 462800 79.8577 4.70161 -4.2347 4.70247 266.362 -129.358 -4.23636 -129.356 -50.9533 GPRESSURE: 462800 84.3157 -28.0197 -32.9203 -25.8232 302.417 -47.8977 12.9436 -95.4802 1.45111 PRESSAVG: 462800 -25.6667 -10.466 10.4693 -10.4661 71.7012 33.1936 10.4694 33.1936 -42.703 GPRESSAVG: 462800 -23.9497 -8.56731 9.07774 -11.5315 71.182 33.0426 10.8225 32.8545 -43.6685 TIMING: 462800 CPU: 1379.67, 0.00296979/step Wall: 1379.67, 0.00296979/step, 3.74293 hours remaining, 206.667969 MB of memory in use. ENERGY: 462800 759.3946 2047.8970 1939.5897 101.3636 -206682.1566 18170.7076 0.0000 0.0000 33996.4573 -149666.7468 296.8995 -183663.2042 -149575.5933 297.9518 98.4220 129.3945 557930.3082 1.1105 1.1879 PRESSURE: 463000 164.569 -134.381 -155.523 -134.381 -51.103 -4.22222 -155.523 -4.2215 62.945 GPRESSURE: 463000 164.631 -124.389 -180.423 -175.794 3.19409 64.941 -173.166 -26.9329 108.931 PRESSAVG: 463000 -18.9459 20.1304 -16.1663 20.1305 0.914498 -81.142 -16.1662 -81.142 42.2436 GPRESSAVG: 463000 -19.7864 18.7368 -15.265 19.1627 0.535125 -80.3499 -17.4429 -79.8706 43.6542 TIMING: 463000 CPU: 1380.27, 0.00296824/step Wall: 1380.27, 0.00296824/step, 3.7408 hours remaining, 206.667969 MB of memory in use. ENERGY: 463000 769.0702 2114.9068 1907.4109 118.6093 -206655.3143 18123.5849 0.0000 0.0000 33971.5656 -149650.1666 296.6821 -183621.7323 -149549.4532 298.6232 58.8035 92.2522 558041.2336 8.0707 8.1343 PRESSURE: 463200 240.202 -155.085 -45.3783 -155.085 -37.6271 -108.186 -45.3789 -108.186 107.722 GPRESSURE: 463200 272.613 -77.5778 -58.3002 -178.598 12.6858 -138.645 -33.4997 -108.663 127.852 PRESSAVG: 463200 -0.593905 -20.6603 -13.2684 -20.6603 -9.12386 -26.1646 -13.2685 -26.1645 -20.1928 GPRESSAVG: 463200 0.447284 -21.712 -13.7132 -19.0322 -9.14359 -27.1185 -13.0961 -25.0825 -21.0873 TIMING: 463200 CPU: 1380.86, 0.00295863/step Wall: 1380.86, 0.00295863/step, 3.72853 hours remaining, 206.667969 MB of memory in use. ENERGY: 463200 739.6667 2075.2122 1934.0724 107.8868 -206512.6945 18009.5495 0.0000 0.0000 33952.6449 -149693.6619 296.5169 -183646.3068 -149598.3775 297.5414 103.4325 137.7170 556794.2462 -9.9702 -9.9279 PRESSURE: 463400 55.6763 -109.319 45.3842 -109.32 -156.622 125.776 45.3841 125.777 -29.086 GPRESSURE: 463400 71.4038 -161.711 -20.4746 -144.629 -174.445 118.731 129.652 106.68 58.0306 PRESSAVG: 463400 3.51151 15.1315 -31.8387 15.1314 15.07 -0.688723 -31.8386 -0.688536 27.9401 GPRESSAVG: 463400 2.75923 16.2106 -33.005 14.9235 15.8633 -1.23048 -31.8824 -1.03522 27.7445 TIMING: 463400 CPU: 1381.45, 0.00297402/step Wall: 1381.45, 0.00297402/step, 3.74776 hours remaining, 206.667969 MB of memory in use. ENERGY: 463400 716.8769 2069.9887 1946.5103 108.7904 -206599.4944 17821.2865 0.0000 0.0000 34271.3678 -149664.6738 299.3004 -183936.0416 -149568.9647 298.1190 -43.3440 -15.0036 556207.9865 15.5072 15.4557 PRESSURE: 463600 152.505 -69.0777 77.9887 -69.0774 -40.1716 0.710408 77.991 0.710273 -113.479 GPRESSURE: 463600 150.8 -126.869 8.57583 -89.1881 65.8712 27.5778 193.911 -31.0955 -110.459 PRESSAVG: 463600 11.1101 -19.9968 -21.0328 -19.9967 27.2297 -24.0566 -21.0328 -24.0568 20.4069 GPRESSAVG: 463600 12.5246 -19.3152 -20.6307 -22.5521 27.2469 -24.4184 -21.0851 -23.8229 19.3075 TIMING: 463600 CPU: 1382.05, 0.00296645/step Wall: 1382.05, 0.00296645/step, 3.73805 hours remaining, 206.667969 MB of memory in use. ENERGY: 463600 753.8515 2047.0705 1949.7365 97.3980 -206666.5531 18038.5963 0.0000 0.0000 34341.0223 -149438.8780 299.9087 -183779.9003 -149347.2749 298.9613 -0.3817 35.4041 557021.5854 19.5822 19.6930 PRESSURE: 463800 83.6347 4.88913 -18.2533 4.88997 24.5468 1.35694 -18.2534 1.35485 144.593 GPRESSURE: 463800 119.004 22.7573 55.466 33.3516 27.679 61.8269 -18.6627 20.0625 217.338 PRESSAVG: 463800 5.75907 -27.6747 -5.35872 -27.6747 31.3385 -11.991 -5.35867 -11.991 -45.4706 GPRESSAVG: 463800 5.91874 -26.8392 -7.18314 -26.8921 30.5883 -11.3724 -4.83696 -10.8125 -44.8683 TIMING: 463800 CPU: 1382.64, 0.00294176/step Wall: 1382.64, 0.00294176/step, 3.70678 hours remaining, 206.667969 MB of memory in use. ENERGY: 463800 767.5230 2100.6146 1970.4743 112.6752 -206344.2222 17864.0139 0.0000 0.0000 34026.0780 -149502.8431 297.1582 -183528.9211 -149407.1583 298.1199 84.2581 121.3403 555368.8388 -2.7910 -2.7871 PRESSURE: 464000 60.0167 10.8818 -11.4932 10.8826 -83.1485 -189.089 -11.4933 -189.091 -210.912 GPRESSURE: 464000 70.9478 -1.44386 8.03771 15.5434 -19.846 -184.45 46.7301 -204.874 -179.58 PRESSAVG: 464000 -12.6013 3.91576 32.719 3.91573 -30.2488 -12.2241 32.719 -12.2242 65.4283 GPRESSAVG: 464000 -12.7701 2.84331 36.0866 2.65415 -29.4072 -12.3018 31.0615 -14.1695 64.9764 TIMING: 464000 CPU: 1383.22, 0.00294021/step Wall: 1383.22, 0.00294022/step, 3.70467 hours remaining, 206.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 464000 750.2289 2103.2206 1935.1891 113.0517 -206326.6909 17670.0333 0.0000 0.0000 34259.4270 -149495.5405 299.1961 -183754.9674 -149395.3983 298.4156 -78.0145 -42.8260 556638.7141 7.5261 7.5997 PRESSURE: 464200 -25.3975 152.933 50.8111 152.933 -169.115 18.3583 50.8094 18.3583 -102.425 GPRESSURE: 464200 -89.9882 109.656 99.6685 190.802 -70.9938 -43.6057 -73.8895 -11.8033 -36.5952 PRESSAVG: 464200 -9.27492 -30.3549 -5.0522 -30.355 -14.0425 20.3681 -5.05223 20.3682 20.947 GPRESSAVG: 464200 -10.8356 -30.9919 -5.04522 -27.8099 -13.0533 22.0041 -4.39591 20.3239 21.7601 TIMING: 464200 CPU: 1383.81, 0.00294062/step Wall: 1383.81, 0.00294062/step, 3.70502 hours remaining, 206.667969 MB of memory in use. ENERGY: 464200 776.6572 2063.8872 1908.3102 107.6036 -205921.7514 17549.9410 0.0000 0.0000 34098.8128 -149416.5395 297.7934 -183515.3523 -149319.5606 298.8034 -98.9789 -65.8591 557445.5749 -0.7902 -0.7096 LDB: ============= START OF LOAD BALANCING ============== 1387.36 LDB: ============== END OF LOAD BALANCING =============== 1387.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1387.36 LDB: ============= START OF LOAD BALANCING ============== 1387.65 LDB: Largest compute 4796 load 0.027525 is 23.3% of average load 0.117998 LDB: Average compute 0.001749 is 1.5% of average load 0.117998 LDB: TIME 1387.65 LOAD: AVG 0.117998 MAX 0.205625 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.211 MB LDB: TIME 1387.65 LOAD: AVG 0.117998 MAX 0.205625 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.211 MB LDB: TIME 1387.65 LOAD: AVG 0.117998 MAX 0.205625 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.211 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1387.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1387.66 PRESSURE: 464400 -132.216 -100.284 223.19 -100.284 -80.0145 47.6757 223.19 47.6759 -257.279 GPRESSURE: 464400 -148.716 -54.4502 138.627 -163.39 -38.8025 73.2273 213.378 51.7416 -175.277 PRESSAVG: 464400 -6.49382 48.2669 25.0397 48.2669 -19.4708 -36.4958 25.0397 -36.4958 3.19282 GPRESSAVG: 464400 -5.43918 47.402 24.0748 48.1148 -20.1135 -37.7805 24.7495 -35.3561 3.64898 TIMING: 464400 CPU: 1384.41, 0.00298817/step Wall: 1384.41, 0.00298817/step, 3.76476 hours remaining, 207.179688 MB of memory in use. ENERGY: 464400 758.3814 2142.0309 1936.8158 110.2394 -206146.3087 17568.9180 0.0000 0.0000 34093.1324 -149536.7907 297.7438 -183629.9231 -149442.9751 298.1468 -156.5033 -120.9321 558102.6607 -7.5906 -7.3012 PRESSURE: 464600 -16.125 -100.692 -79.3756 -100.692 199.021 -103.026 -79.3766 -103.027 -295.831 GPRESSURE: 464600 24.828 -160.667 18.4667 -81.8367 208.456 -46.8936 -16.4477 -18.4747 -257.196 PRESSAVG: 464600 -22.3925 -11.7248 2.24014 -11.7249 44.1664 -40.4507 2.24016 -40.4507 -11.5609 GPRESSAVG: 464600 -23.1401 -10.8932 1.79424 -11.312 44.3083 -40.146 1.65151 -41.3447 -11.5351 TIMING: 464600 CPU: 1385, 0.0029574/step Wall: 1385, 0.0029574/step, 3.72584 hours remaining, 207.378906 MB of memory in use. ENERGY: 464600 734.5095 2074.2156 1934.1523 113.0133 -206361.7443 17814.7916 0.0000 0.0000 34158.9116 -149532.1505 298.3183 -183691.0620 -149446.0068 298.5741 -37.6451 -7.9707 558201.8305 3.4043 3.2110 PRESSURE: 464800 -238.15 210.201 -58.2176 210.2 -153.108 20.6362 -58.2184 20.6353 78.188 GPRESSURE: 464800 -151.201 296.102 -88.6344 155.573 -149.528 55.7424 -112.262 71.4035 87.1785 PRESSAVG: 464800 -9.23724 -37.0503 14.3507 -37.0504 71.4983 -29.5851 14.3508 -29.5851 -64.7049 GPRESSAVG: 464800 -7.59775 -38.3523 14.7945 -37.3553 70.9529 -29.86 15.162 -30.5175 -66.1485 TIMING: 464800 CPU: 1385.6, 0.00298853/step Wall: 1385.6, 0.00298853/step, 3.76488 hours remaining, 207.378906 MB of memory in use. ENERGY: 464800 748.3478 2082.4762 1920.9629 108.1685 -205998.3172 17623.8992 0.0000 0.0000 34057.2940 -149457.1686 297.4308 -183514.4626 -149368.8128 298.4540 -104.3566 -71.1837 557291.0451 -0.8146 -0.9311 PRESSURE: 465000 -58.279 -26.3144 -27.8726 -26.3146 -81.6745 -46.8721 -27.8723 -46.8708 222.418 GPRESSURE: 465000 -0.523516 43.8712 -89.0769 -30.6793 -34.2071 -56.8786 -37.8704 -50.1312 202.361 PRESSAVG: 465000 0.427781 24.774 -46.5055 24.774 -42.1817 11.6497 -46.5055 11.6497 34.9387 GPRESSAVG: 465000 0.192228 26.6069 -46.0022 24.3876 -41.9838 11.3824 -46.1568 13.8087 34.2791 TIMING: 465000 CPU: 1386.19, 0.0029627/step Wall: 1386.19, 0.0029627/step, 3.73218 hours remaining, 207.378906 MB of memory in use. ENERGY: 465000 730.4766 2077.3220 1947.7448 93.8809 -206656.6765 17835.2691 0.0000 0.0000 34357.6104 -149614.3728 300.0536 -183971.9831 -149518.6904 298.8707 27.4881 55.8768 556310.0222 -2.2717 -2.5041 PRESSURE: 465200 141.278 28.4934 -47.5958 28.4913 -120.798 7.84432 -47.5958 7.84548 -0.0707189 GPRESSURE: 465200 118.367 35.5738 -23.5419 50.5938 -14.7705 45.6959 -168.797 -104.874 14.9394 PRESSAVG: 465200 6.51839 36.8777 -102.211 36.8777 -11.0607 41.6465 -102.211 41.6465 -0.523972 GPRESSAVG: 465200 4.2281 36.9352 -101.44 37.3889 -10.163 42.3006 -104.571 41.445 0.799026 TIMING: 465200 CPU: 1386.78, 0.00295695/step Wall: 1386.78, 0.00295694/step, 3.72476 hours remaining, 207.378906 MB of memory in use. ENERGY: 465200 731.3172 2039.2408 1932.9102 106.6893 -206441.2524 17753.1438 0.0000 0.0000 34228.6067 -149649.3444 298.9269 -183877.9512 -149547.4898 298.3756 6.8030 39.5119 555542.2224 -1.6887 -1.7119 PRESSURE: 465400 -136.254 132.115 -107.784 132.115 -153.616 -170.645 -107.784 -170.645 -134.792 GPRESSURE: 465400 -90.6775 117.883 -121.56 222.945 -130.74 -157.327 -150.727 -186.02 -90.8043 PRESSAVG: 465400 -9.92891 -57.076 17.5468 -57.0759 20.8814 9.35202 17.5468 9.35208 -5.226 GPRESSAVG: 465400 -7.54979 -59.1636 16.2719 -58.0355 20.0918 9.79836 19.2837 7.68929 -6.28419 TIMING: 465400 CPU: 1387.38, 0.00297618/step Wall: 1387.38, 0.00297618/step, 3.74884 hours remaining, 207.378906 MB of memory in use. ENERGY: 465400 726.2140 2082.1534 1911.3257 111.5560 -206184.8078 17567.6581 0.0000 0.0000 34151.5802 -149634.3204 298.2542 -183785.9006 -149533.0041 298.6817 -141.5538 -104.0740 557468.6150 1.9088 2.0859 PRESSURE: 465600 -245.242 50.1083 8.62111 50.1084 -75.1136 17.9799 8.62044 17.979 -262.056 GPRESSURE: 465600 -192.928 7.69533 3.92551 7.27974 -84.9319 -37.1022 -13.4816 44.4684 -206.248 PRESSAVG: 465600 26.0105 11.3832 -39.2404 11.3832 6.13089 -32.0127 -39.2405 -32.0126 -17.2906 GPRESSAVG: 465600 24.8541 12.3266 -38.6359 10.5728 6.47227 -33.581 -39.4142 -32.8238 -16.2962 TIMING: 465600 CPU: 1387.97, 0.00297331/step Wall: 1387.97, 0.00297331/step, 3.74505 hours remaining, 207.378906 MB of memory in use. ENERGY: 465600 727.0038 2040.5483 1954.2417 108.4396 -205943.5254 17463.7406 0.0000 0.0000 34235.2557 -149414.2957 298.9850 -183649.5514 -149318.9904 298.6525 -194.1374 -161.3696 557491.4864 4.9503 5.0100 PRESSURE: 465800 86.2621 -177.524 36.6546 -177.523 -103.886 67.3411 36.6547 67.3413 -140.769 GPRESSURE: 465800 96.983 -114.519 -8.20362 -221.986 -61.3475 27.2938 -2.22298 45.8005 -96.873 PRESSAVG: 465800 -7.40212 -28.9982 -39.217 -28.9983 18.9681 -48.8394 -39.217 -48.8394 -22.5192 GPRESSAVG: 465800 -7.49478 -27.6079 -38.7269 -26.6999 18.078 -48.4735 -38.4858 -48.2082 -21.5113 TIMING: 465800 CPU: 1388.57, 0.00297659/step Wall: 1388.57, 0.00297659/step, 3.74902 hours remaining, 207.378906 MB of memory in use. ENERGY: 465800 702.6943 2068.2363 1935.7455 99.5693 -205899.7169 17528.8471 0.0000 0.0000 34219.4949 -149345.1294 298.8474 -183564.6243 -149244.0443 299.0697 -52.7976 -20.4125 557686.7738 -3.6511 -3.6427 PRESSURE: 466000 99.0927 -124.67 12.5095 -124.67 20.0438 -75.2804 12.5112 -75.2807 471.138 GPRESSURE: 466000 88.7249 -66.7945 -13.2206 -155.846 93.4142 -60.8486 -8.4875 -112.765 490.911 PRESSAVG: 466000 12.4813 25.8494 -4.1011 25.8494 -33.3385 -27.115 -4.10102 -27.115 47.3468 GPRESSAVG: 466000 12.9433 24.7059 -5.64507 25.9792 -33.7826 -27.0947 -5.01504 -26.9617 47.2593 TIMING: 466000 CPU: 1389.16, 0.00295989/step Wall: 1389.16, 0.00295989/step, 3.72782 hours remaining, 207.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 466000 786.9964 2070.7823 1956.2528 104.3391 -206534.0276 17976.4954 0.0000 0.0000 34309.7465 -149329.4150 299.6355 -183639.1615 -149231.7101 299.4095 196.7583 224.3499 555922.9356 8.8299 8.8067 PRESSURE: 466200 -149.143 -64.5335 -132.684 -64.5334 112.851 -29.3885 -132.684 -29.3883 312.212 GPRESSURE: 466200 -114.678 -103.599 -56.6067 -74.5196 186.558 -56.7372 -116.982 10.8155 297.233 PRESSAVG: 466200 -42.1011 22.3688 -14.4395 22.3687 49.6064 -36.2277 -14.4396 -36.2277 21.5046 GPRESSAVG: 466200 -42.1193 22.2699 -12.7241 21.2618 50.0405 -36.674 -15.4201 -37.9027 21.3738 TIMING: 466200 CPU: 1389.75, 0.00294789/step Wall: 1389.75, 0.00294789/step, 3.71254 hours remaining, 207.378906 MB of memory in use. ENERGY: 466200 745.0576 2063.6367 1936.1466 106.2140 -206427.4596 18031.6624 0.0000 0.0000 34050.0966 -149494.6457 297.3680 -183544.7423 -149401.7287 299.2468 91.9734 123.0379 556736.4154 9.6700 9.7650 PRESSURE: 466400 -145.267 51.5087 92.5197 51.5091 165.993 199.368 92.5188 199.368 -39.1193 GPRESSURE: 466400 -85.4654 -13.8651 99.8058 53.4922 134.714 87.5577 116.96 215.567 27.945 PRESSAVG: 466400 24.5528 -8.21104 -25.8112 -8.21107 48.5087 1.16663 -25.8112 1.16651 -30.3621 GPRESSAVG: 466400 24.8166 -6.45316 -26.6788 -8.8209 47.9851 1.52004 -25.736 1.0782 -29.3868 TIMING: 466400 CPU: 1390.34, 0.0029725/step Wall: 1390.34, 0.0029725/step, 3.74337 hours remaining, 207.378906 MB of memory in use. ENERGY: 466400 725.9504 2085.5594 1935.1729 116.7831 -206366.9104 17712.8402 0.0000 0.0000 34263.4373 -149527.1672 299.2311 -183790.6044 -149428.1289 298.5234 -6.1310 25.7311 557170.6624 14.2331 14.4716 PRESSURE: 466600 -76.6955 -0.178723 61.2224 -0.179776 134.954 3.97381 61.2233 3.97201 204.958 GPRESSURE: 466600 7.94486 120.116 21.7746 -20.2974 203.765 8.14676 101.044 -36.8985 139.97 PRESSAVG: 466600 10.1779 -7.92531 -53.8046 -7.92529 -25.8671 12.1104 -53.8046 12.1104 12.919 GPRESSAVG: 466600 9.029 -9.07474 -54.554 -8.4749 -24.7575 12.0474 -51.0639 15.3499 13.5329 TIMING: 466600 CPU: 1390.94, 0.00295767/step Wall: 1390.94, 0.00295767/step, 3.72452 hours remaining, 207.378906 MB of memory in use. ENERGY: 466600 709.3939 2043.5879 1945.1191 124.5222 -206499.4427 17824.3495 0.0000 0.0000 34228.2152 -149624.2550 298.9235 -183852.4703 -149525.7507 299.3090 87.7387 117.2268 555325.3558 -0.9234 -0.7319 PRESSURE: 466800 -62.1199 -92.7971 -52.4802 -92.7977 -225.436 -156.27 -52.4808 -156.271 17.0619 GPRESSURE: 466800 -14.0202 -198.135 -82.3514 -81.38 -191.595 -227.553 -34.484 -172.458 41.391 PRESSAVG: 466800 -27.1142 -24.9719 -18.8374 -24.9718 52.9388 18.9982 -18.8374 18.9982 -45.1655 GPRESSAVG: 466800 -25.9819 -24.9491 -20.0051 -23.5878 53.0731 19.4591 -19.3674 17.858 -46.2836 TIMING: 466800 CPU: 1391.52, 0.00294832/step Wall: 1391.52, 0.00294832/step, 3.71259 hours remaining, 207.503906 MB of memory in use. ENERGY: 466800 721.5307 2052.9637 1956.6151 116.1072 -206172.7193 17492.2682 0.0000 0.0000 34317.5849 -149515.6495 299.7040 -183833.2343 -149410.4183 299.1774 -90.1648 -54.7414 555648.8064 -6.4470 -6.3975 PRESSURE: 467000 294.122 -40.181 236.235 -40.1811 57.3705 -227.905 236.235 -227.906 82.6649 GPRESSURE: 467000 374.549 7.11709 259.907 -6.01227 83.0881 -211.54 196.973 -222.952 71.5688 PRESSAVG: 467000 48.8139 41.5635 24.7255 41.5635 15.5061 -43.593 24.7255 -43.593 -45.2951 GPRESSAVG: 467000 49.7367 41.706 24.9049 41.4376 14.2592 -42.5222 23.2553 -42.8132 -45.6478 TIMING: 467000 CPU: 1392.12, 0.00295596/step Wall: 1392.12, 0.00295596/step, 3.72204 hours remaining, 207.503906 MB of memory in use. ENERGY: 467000 720.9538 2007.2056 1949.0480 106.8906 -206566.5150 18014.6132 0.0000 0.0000 34347.0597 -149420.7441 299.9614 -183767.8038 -149324.2494 298.6377 144.7191 176.4019 555738.7232 6.3416 6.1160 PRESSURE: 467200 -99.0297 -110.406 204.699 -110.406 89.6609 107.685 204.698 107.685 -27.0083 GPRESSURE: 467200 -69.6275 -84.272 182.13 -156.569 154.87 99.5196 234.687 149.813 -31.0085 PRESSAVG: 467200 -35.254 53.8745 40.2299 53.8746 24.3643 -57.355 40.2299 -57.3549 -36.7195 GPRESSAVG: 467200 -36.5898 54.5927 40.0726 53.1025 24.0498 -59.0014 41.9446 -57.0277 -35.9187 TIMING: 467200 CPU: 1392.7, 0.00294364/step Wall: 1392.7, 0.00294364/step, 3.70637 hours remaining, 207.503906 MB of memory in use. ENERGY: 467200 727.3920 2102.5900 1921.5353 115.7083 -206018.2462 17664.7355 0.0000 0.0000 34067.9037 -149418.3814 297.5235 -183486.2851 -149316.6861 298.4214 -12.1257 18.0779 557806.8248 -15.8697 -16.1529 PRESSURE: 467400 -102.085 -78.6309 -52.9221 -78.6318 -29.859 -163.1 -52.9206 -163.098 -24.9322 GPRESSURE: 467400 -70.1493 -85.0931 -54.4253 -45.3379 11.1917 -203.853 -50.9271 -164.87 -7.51397 PRESSAVG: 467400 -3.24836 14.0066 61.5113 14.0065 61.5768 -62.5579 61.5113 -62.5578 26.76 GPRESSAVG: 467400 -2.94405 14.3464 62.1027 16.0711 61.7452 -62.6734 60.1439 -62.1391 25.9199 TIMING: 467400 CPU: 1393.3, 0.00295149/step Wall: 1393.3, 0.00295149/step, 3.71609 hours remaining, 207.503906 MB of memory in use. ENERGY: 467400 694.7640 2026.1429 1945.6747 107.8720 -206019.1349 17494.0687 0.0000 0.0000 34211.1357 -149539.4768 298.7744 -183750.6125 -149427.7632 298.7892 -52.2921 -22.1572 556939.3486 28.3628 28.2403 PRESSURE: 467600 353.517 -122.817 111.745 -122.816 -21.3546 -207.417 111.746 -207.417 118.003 GPRESSURE: 467600 385.918 -189.475 86.9561 -61.0969 -26.7864 -134.265 114.98 -204.212 179.887 PRESSAVG: 467600 17.3 -3.48089 -20.4903 -3.48085 -101.329 -38.0232 -20.4902 -38.0232 57.817 GPRESSAVG: 467600 16.8521 -6.27672 -20.086 -3.82245 -100.991 -35.2106 -19.9736 -40.9161 57.6582 TIMING: 467600 CPU: 1393.89, 0.00295969/step Wall: 1393.89, 0.00295969/step, 3.72625 hours remaining, 207.503906 MB of memory in use. ENERGY: 467600 772.5006 2022.1150 1959.4633 107.5101 -206933.5287 18258.5644 0.0000 0.0000 34290.5823 -149522.7931 299.4682 -183813.3754 -149424.0031 297.8088 150.0550 179.6726 555830.3872 -8.7374 -8.8268 PRESSURE: 467800 144.614 45.0396 -41.0331 45.0404 -111.162 -30.7843 -41.0338 -30.7833 -5.15958 GPRESSURE: 467800 189.17 75.9382 102.223 46.207 -43.5811 -43.9936 -99.741 -44.9252 -22.2851 PRESSAVG: 467800 22.6617 -3.51865 -7.79774 -3.51869 -16.3062 -69.3703 -7.79764 -69.3703 -23.2694 GPRESSAVG: 467800 22.471 -4.01563 -7.88348 -3.59765 -16.5866 -71.4609 -7.10143 -68.916 -22.9516 TIMING: 467800 CPU: 1394.49, 0.00299077/step Wall: 1394.49, 0.00299077/step, 3.76521 hours remaining, 207.503906 MB of memory in use. ENERGY: 467800 740.7487 2074.4344 1944.8781 109.5209 -206648.1093 17944.8368 0.0000 0.0000 34410.5577 -149423.1328 300.5160 -183833.6905 -149330.7225 298.6169 9.4308 41.1014 556393.3535 -5.6380 -5.6891 PRESSURE: 468000 -254.818 -63.2501 121.852 -63.2485 37.889 62.3509 121.851 62.3497 -177.508 GPRESSURE: 468000 -164.571 -59.2836 93.0288 -54.1157 27.0459 36.8941 116.396 81.1928 -152.154 PRESSAVG: 468000 60.3777 18.6078 -4.11643 18.6078 -58.037 -17.7645 -4.11639 -17.7645 -5.87876 GPRESSAVG: 468000 60.5545 19.7772 -5.10919 17.0252 -56.8385 -17.554 -3.79287 -16.7137 -6.98476 TIMING: 468000 CPU: 1395.08, 0.00296586/step Wall: 1395.08, 0.00296586/step, 3.73369 hours remaining, 207.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 468000 752.3266 2065.7006 1918.5304 107.6350 -206067.5441 17648.0080 0.0000 0.0000 34066.6778 -149508.6658 297.5128 -183575.3436 -149417.8405 298.4418 -131.4787 -96.5595 557641.4981 -1.1794 -1.0896 PRESSURE: 468200 -8.20182 -151.806 93.7329 -151.807 -216.324 -87.5841 93.7336 -87.5849 135.313 GPRESSURE: 468200 -20.3039 -158.522 59.1074 -192.849 -150.44 -30.9196 36.4765 -86.6304 183.059 PRESSAVG: 468200 26.6705 -53.9536 12.015 -53.9537 -62.3534 -66.7965 12.0151 -66.7965 -10.3454 GPRESSAVG: 468200 27.0904 -54.5014 13.5317 -53.0199 -63.7788 -65.7576 9.70267 -68.3502 -9.04666 TIMING: 468200 CPU: 1395.67, 0.00295853/step Wall: 1395.67, 0.00295853/step, 3.72429 hours remaining, 207.503906 MB of memory in use. ENERGY: 468200 695.8383 2033.1534 1919.5453 104.0376 -206210.2545 17747.6085 0.0000 0.0000 34228.9083 -149481.1631 298.9296 -183710.0714 -149382.3236 299.1464 -29.7376 4.1049 557997.9056 -15.3428 -15.2450 LDB: ============= START OF LOAD BALANCING ============== 1399.22 LDB: ============== END OF LOAD BALANCING =============== 1399.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1399.22 LDB: ============= START OF LOAD BALANCING ============== 1399.52 LDB: Largest compute 4795 load 0.027886 is 23.6% of average load 0.118019 LDB: Average compute 0.001754 is 1.5% of average load 0.118019 LDB: TIME 1399.52 LOAD: AVG 0.118019 MAX 0.206988 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.18 MB LDB: TIME 1399.52 LOAD: AVG 0.118019 MAX 0.206988 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.18 MB LDB: TIME 1399.52 LOAD: AVG 0.118019 MAX 0.206988 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.18 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1399.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1399.53 PRESSURE: 468400 25.4659 -186.218 38.922 -186.218 42.242 -152.82 38.923 -152.822 -107.825 GPRESSURE: 468400 77.6209 -168.451 -91.4536 -172.939 62.3361 -211.009 97.0147 -180.888 -91.3881 PRESSAVG: 468400 37.1527 -20.1883 38.3696 -20.1883 31.0036 -80.1703 38.3695 -80.1704 -29.7129 GPRESSAVG: 468400 37.2648 -18.8932 38.5576 -21.0742 30.7632 -80.3869 40.0809 -79.7551 -29.6277 TIMING: 468400 CPU: 1396.28, 0.00303122/step Wall: 1396.28, 0.00303122/step, 3.81563 hours remaining, 206.468750 MB of memory in use. ENERGY: 468400 706.3285 2072.9833 1885.5496 108.7713 -206210.7175 17749.7004 0.0000 0.0000 34237.5837 -149449.8006 299.0053 -183687.3844 -149344.8606 299.0157 -13.3723 16.1896 557266.8667 12.8144 12.8001 PRESSURE: 468600 -95.4358 91.822 5.58842 91.8212 -211.174 -19.6496 5.58763 -19.6518 -46.2535 GPRESSURE: 468600 -123.713 15.5445 -1.17018 174.634 -161.401 100.152 19.1022 -99.4865 23.5848 PRESSAVG: 468600 22.4409 -4.28205 47.0883 -4.28214 -7.84896 -11.8877 47.0882 -11.8877 -23.2325 GPRESSAVG: 468600 22.5524 -5.13571 46.4139 -2.64686 -8.09814 -12.2991 45.4236 -10.776 -23.3793 TIMING: 468600 CPU: 1396.87, 0.00297743/step Wall: 1396.87, 0.00297743/step, 3.74776 hours remaining, 206.468750 MB of memory in use. ENERGY: 468600 715.5578 2109.5849 1924.6254 115.0699 -205994.3329 17585.1826 0.0000 0.0000 34119.5020 -149424.8103 297.9741 -183544.3123 -149332.1744 298.2362 -117.6210 -87.1766 558952.6795 -2.8802 -2.9750 PRESSURE: 468800 24.4208 -150.022 2.16884 -150.022 -109.915 -37.3689 2.16891 -37.3698 195.638 GPRESSURE: 468800 70.712 -176.115 31.1833 -50.4446 -69.5683 -43.218 21.0041 -6.90969 199.103 PRESSAVG: 468800 24.9292 6.98671 54.2468 6.98683 -44.6275 4.60442 54.2469 4.60451 78.1099 GPRESSAVG: 468800 24.1109 7.58706 56.0341 6.78444 -43.1843 5.82813 53.5535 4.05883 77.8089 TIMING: 468800 CPU: 1397.47, 0.00297472/step Wall: 1397.47, 0.00297472/step, 3.74418 hours remaining, 206.468750 MB of memory in use. ENERGY: 468800 720.8093 2057.4304 1929.2765 108.3453 -206400.2527 17787.6551 0.0000 0.0000 34095.1735 -149701.5627 297.7616 -183796.7362 -149601.2008 298.1002 36.7145 66.7490 556645.1839 19.4705 19.5785 PRESSURE: 469000 224.76 -94.4978 -12.9325 -94.4989 95.4001 -185.558 -12.932 -185.557 15.7446 GPRESSURE: 469000 258.567 -196.395 -55.4265 -36.4131 89.6711 -225.616 -1.90474 -214.032 83.4092 PRESSAVG: 469000 6.03014 32.1605 13.6924 32.1606 -50.4888 -100.938 13.6924 -100.938 40.5784 GPRESSAVG: 469000 7.88051 32.8882 11.925 30.0076 -50.3675 -101.566 15.4376 -100.887 39.0344 TIMING: 469000 CPU: 1398.06, 0.00298116/step Wall: 1398.06, 0.00298116/step, 3.75212 hours remaining, 206.468750 MB of memory in use. ENERGY: 469000 745.3118 2043.1901 1918.5001 104.5557 -206546.7018 18056.9706 0.0000 0.0000 34041.3585 -149636.8151 297.2917 -183678.1736 -149544.1928 297.9873 111.9682 143.8824 555909.3526 -1.2934 -1.1509 PRESSURE: 469200 -148.585 114.116 9.42326 114.116 -122.643 51.9834 9.42399 51.9843 -32.1117 GPRESSURE: 469200 -106.521 70.5782 15.0594 174.933 -96.3318 48.2774 -44.3844 133.681 1.6452 PRESSAVG: 469200 43.5519 9.9242 29.1997 9.92405 -22.963 -10.6875 29.1998 -10.6875 -36.0022 GPRESSAVG: 469200 42.4113 11.7274 29.5042 9.59272 -23.9501 -11.6912 30.5358 -11.2404 -33.4981 TIMING: 469200 CPU: 1398.66, 0.00299112/step Wall: 1398.66, 0.00299112/step, 3.76449 hours remaining, 206.468750 MB of memory in use. ENERGY: 469200 717.6846 2076.7396 1928.7501 108.4061 -206061.9869 17520.5336 0.0000 0.0000 34230.9596 -149478.9134 298.9475 -183709.8730 -149386.4794 298.3911 -101.1132 -67.0694 556890.3022 -5.1378 -5.0123 PRESSURE: 469400 -132.33 -190.355 83.1754 -190.354 -146.604 121.396 83.1746 121.397 -11.7888 GPRESSURE: 469400 -27.7812 -231.63 167.362 -137.266 -108.162 159.937 50.655 12.8201 -57.8776 PRESSAVG: 469400 22.1675 13.4431 41.0244 13.443 -6.04288 -15.2275 41.0243 -15.2273 -25.4886 GPRESSAVG: 469400 22.989 10.8665 40.9378 15.8892 -5.60746 -12.5322 40.3614 -15.6187 -26.8013 TIMING: 469400 CPU: 1399.26, 0.00298224/step Wall: 1399.26, 0.00298224/step, 3.75315 hours remaining, 206.468750 MB of memory in use. ENERGY: 469400 759.7218 2041.7532 1897.2966 119.3809 -206091.9673 17680.1155 0.0000 0.0000 34117.4569 -149476.2425 297.9562 -183593.6994 -149377.8659 298.8619 -96.9078 -64.6069 557328.3544 -3.1213 -3.1399 PRESSURE: 469600 -29.8097 -85.4292 5.21395 -85.4291 -68.9012 52.1075 5.21339 52.1077 -205.282 GPRESSURE: 469600 0.720282 -63.971 -3.32175 -159.334 -43.7968 54.9517 36.5066 42.0249 -159.313 PRESSAVG: 469600 30.689 -47.9512 -26.7491 -47.9512 53.6292 -41.8146 -26.7491 -41.8146 -49.2082 GPRESSAVG: 469600 29.3404 -47.0406 -24.5975 -49.3802 55.0917 -43.7542 -28.7693 -41.2941 -48.6183 TIMING: 469600 CPU: 1399.85, 0.00297208/step Wall: 1399.85, 0.00297208/step, 3.7402 hours remaining, 206.468750 MB of memory in use. ENERGY: 469600 707.3209 2041.7799 1909.8285 110.7255 -205970.8344 17768.0689 0.0000 0.0000 34036.6265 -149396.4841 297.2503 -183433.1106 -149304.3161 298.6971 -101.3310 -67.4631 559157.0838 11.7033 11.9379 PRESSURE: 469800 -23.8355 24.905 133.172 24.9042 -11.7272 29.4936 133.172 29.4912 -148.052 GPRESSURE: 469800 6.25331 52.3498 134.359 -2.60768 26.9541 17.3375 65.5407 32.8812 -129.208 PRESSAVG: 469800 32.3601 -17.9765 -52.1712 -17.9765 -25.9692 2.03833 -52.1712 2.0382 46.2661 GPRESSAVG: 469800 33.6492 -18.807 -52.3052 -17.616 -27.1746 1.61767 -52.5556 3.37747 46.5361 TIMING: 469800 CPU: 1400.44, 0.00295616/step Wall: 1400.44, 0.00295616/step, 3.72 hours remaining, 206.468750 MB of memory in use. ENERGY: 469800 768.4491 2010.4994 1915.6268 98.3348 -206235.5861 17903.3812 0.0000 0.0000 34210.0222 -149329.2725 298.7646 -183539.2947 -149230.2364 298.4816 -61.2048 -32.0004 558944.0727 17.5523 17.6702 PRESSURE: 470000 105.165 -43.9319 24.1396 -43.931 -66.5393 -33.3923 24.1408 -33.391 391.834 GPRESSURE: 470000 107.178 -48.8162 19.567 -16.3869 1.22675 -68.5571 39.3008 -15.3474 405.891 PRESSAVG: 470000 5.37874 13.4639 -11.1139 13.4639 -42.2434 -12.3582 -11.1139 -12.358 38.4284 GPRESSAVG: 470000 5.46333 14.8553 -11.4845 13.879 -41.3776 -11.2498 -9.67131 -12.9585 37.2157 TIMING: 470000 CPU: 1401.04, 0.00296949/step Wall: 1401.04, 0.00296949/step, 3.73661 hours remaining, 206.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 470000 724.9172 2056.9624 1934.3166 115.2156 -206379.0158 18008.5836 0.0000 0.0000 34189.2686 -149349.7518 298.5834 -183539.0205 -149263.1678 298.6014 143.4864 171.4319 557433.7334 0.5213 0.4338 PRESSURE: 470200 -8.46475 -5.4316 36.9652 -5.43168 -36.3389 56.6342 36.9629 56.6344 79.8663 GPRESSURE: 470200 -0.945903 -39.3638 45.9108 -28.6759 18.0184 44.7844 84.7884 95.9786 109.806 PRESSAVG: 470200 74.586 5.75003 -18.7122 5.75003 -41.4601 -30.4149 -18.7122 -30.4149 -17.9304 GPRESSAVG: 470200 74.4127 5.13294 -18.8957 4.61319 -41.2954 -31.7945 -20.5211 -30.07 -17.2499 TIMING: 470200 CPU: 1401.63, 0.00298688/step Wall: 1401.63, 0.00298688/step, 3.75833 hours remaining, 206.468750 MB of memory in use. ENERGY: 470200 720.3323 2076.7874 1943.5898 115.7386 -205963.5425 17699.8626 0.0000 0.0000 34045.4415 -149361.7903 297.3273 -183407.2318 -149264.8686 298.5479 11.6876 42.2929 559188.3760 5.0651 5.2891 PRESSURE: 470400 -39.6233 50.1901 38.0606 50.1898 -48.0919 105.427 38.0601 105.428 -315.673 GPRESSURE: 470400 -23.5734 84.2195 -9.30638 -8.14313 -42.9466 112.154 104.934 26.3485 -246.471 PRESSAVG: 470400 -6.40331 20.9884 -6.03369 20.9884 -21.0747 -4.0428 -6.03382 -4.04291 -7.2408 GPRESSAVG: 470400 -5.6817 17.8033 -7.66187 23.7038 -22.1424 -2.85485 -3.1115 -3.30252 -6.80305 TIMING: 470400 CPU: 1402.23, 0.00295317/step Wall: 1402.23, 0.00295317/step, 3.71574 hours remaining, 206.468750 MB of memory in use. ENERGY: 470400 713.3892 2053.9697 1926.0680 104.9847 -205972.0733 17471.8229 0.0000 0.0000 34326.4669 -149375.3719 299.7816 -183701.8388 -149272.1802 298.1208 -134.4628 -104.3302 557119.3549 -11.5730 -11.5424 PRESSURE: 470600 -17.3708 -4.35153 120.717 -4.35156 146.946 122.125 120.717 122.125 -259.97 GPRESSURE: 470600 26.707 28.4618 151.836 10.2057 208.316 109.693 59.2235 61.5344 -270.691 PRESSAVG: 470600 22.2699 -7.12784 -47.3316 -7.12773 38.7406 -59.6204 -47.3317 -59.6203 -48.9401 GPRESSAVG: 470600 21.8914 -4.17761 -45.1907 -11.4728 39.2112 -58.2638 -47.7742 -62.4021 -49.221 TIMING: 470600 CPU: 1402.81, 0.00293561/step Wall: 1402.81, 0.00293562/step, 3.69349 hours remaining, 206.468750 MB of memory in use. ENERGY: 470600 733.8136 2049.1704 1940.9555 121.0181 -206098.1650 17688.8896 0.0000 0.0000 34260.1236 -149304.1941 299.2022 -183564.3177 -149203.6487 298.9721 -43.4650 -11.8895 557486.4864 4.0234 3.9605 PRESSURE: 470800 79.1334 -169.808 70.9206 -169.807 61.8378 -101.542 70.9204 -101.543 -70.5264 GPRESSURE: 470800 112.798 -96.7504 73.2196 -225.546 121.649 -92.4537 87.297 -120.971 -59.9362 PRESSAVG: 470800 37.994 6.82009 -11.9604 6.82005 34.0479 -23.9635 -11.9604 -23.9635 -6.29716 GPRESSAVG: 470800 37.6824 6.05144 -13.4085 9.58813 34.1437 -25.0548 -13.2239 -23.0566 -6.27827 TIMING: 470800 CPU: 1403.4, 0.00296232/step Wall: 1403.4, 0.00296232/step, 3.72693 hours remaining, 206.468750 MB of memory in use. ENERGY: 470800 723.0092 2015.7002 1929.1984 104.8052 -206111.7794 17785.9078 0.0000 0.0000 34073.3652 -149479.7934 297.5712 -183553.1587 -149377.4959 299.4037 23.4816 58.1704 557425.1311 21.9149 21.8493 PRESSURE: 471000 -87.7718 -31.016 -44.7138 -31.0167 -178.452 -56.3179 -44.7126 -56.3177 -308.026 GPRESSURE: 471000 -73.7933 -12.056 -24.6734 60.5736 -89.5554 -28.3895 -62.2115 -117.001 -320.886 PRESSAVG: 471000 -14.8542 18.8451 21.1251 18.845 -13.8459 -39.8233 21.125 -39.8232 3.08398 GPRESSAVG: 471000 -14.3141 18.9788 22.4367 16.199 -13.9829 -40.6954 21.425 -38.3437 2.27139 TIMING: 471000 CPU: 1404.01, 0.00300906/step Wall: 1404.01, 0.00300906/step, 3.78557 hours remaining, 206.468750 MB of memory in use. ENERGY: 471000 788.6982 2060.3455 1938.2795 108.7254 -205967.9477 17583.3522 0.0000 0.0000 34058.0013 -149430.5457 297.4370 -183488.5470 -149328.5735 298.2547 -191.4166 -161.4116 559652.3236 -8.5387 -8.6752 PRESSURE: 471200 -543.531 -38.0242 95.2657 -38.0233 -127.236 -86.5414 95.2659 -86.5424 -301.851 GPRESSURE: 471200 -516.604 -30.5641 89.4978 22.9274 -120.578 -110.205 70.4007 -33.1115 -245.803 PRESSAVG: 471200 -44.0877 24.8948 -63.4037 24.8948 78.2028 16.3681 -63.4037 16.3682 -13.4833 GPRESSAVG: 471200 -44.9326 25.3569 -63.1438 26.8948 78.2323 17.0796 -62.2238 16.0105 -12.551 TIMING: 471200 CPU: 1404.6, 0.00295728/step Wall: 1404.6, 0.00295728/step, 3.72025 hours remaining, 206.468750 MB of memory in use. ENERGY: 471200 774.3264 2086.0337 1938.1269 112.9149 -205689.6586 17436.3226 0.0000 0.0000 34054.1943 -149287.7398 297.4037 -183341.9341 -149192.4579 298.9493 -324.2060 -294.3283 559986.7505 6.8773 6.9162 PRESSURE: 471400 -206.214 51.7708 143.382 51.772 -127.264 -19.4013 143.382 -19.4031 -2.4468 GPRESSURE: 471400 -139.056 -30.9529 130.239 71.9263 -66.335 -59.3283 145.8 45.8907 -32.7678 PRESSAVG: 471400 0.283723 31.2625 8.1236 31.2625 4.14728 19.4904 8.12365 19.4906 -10.1073 GPRESSAVG: 471400 0.739542 32.0775 6.27076 31.6587 3.94479 17.991 8.39725 19.7557 -10.2513 TIMING: 471400 CPU: 1405.2, 0.00300495/step Wall: 1405.2, 0.00300495/step, 3.78007 hours remaining, 206.468750 MB of memory in use. ENERGY: 471400 741.8491 2043.0031 1924.2081 124.0397 -206330.2491 17793.1264 0.0000 0.0000 34298.6957 -149405.3271 299.5390 -183704.0228 -149303.4677 298.8191 -111.9751 -79.3862 558732.3289 -1.8921 -1.8557 PRESSURE: 471600 -46.281 -36.5882 -26.9215 -36.5882 -15.3111 109.99 -26.9234 109.988 44.2387 GPRESSURE: 471600 -51.9623 33.2653 22.4578 15.7206 61.7536 98.2453 -55.3646 44.306 76.6004 PRESSAVG: 471600 -51.9735 -13.8014 -32.5516 -13.8014 -4.63613 28.7582 -32.5517 28.7581 52.9068 GPRESSAVG: 471600 -53.108 -15.6918 -33.0485 -12.2789 -3.56603 30.4862 -32.9498 27.7276 53.333 TIMING: 471600 CPU: 1405.8, 0.00298695/step Wall: 1405.8, 0.00298695/step, 3.75725 hours remaining, 206.468750 MB of memory in use. ENERGY: 471600 734.7415 2061.5997 1932.4250 112.8106 -206124.2368 17671.1109 0.0000 0.0000 34246.6957 -149364.8535 299.0849 -183611.5492 -149267.0715 298.5390 -5.7845 28.7973 557291.9207 -1.2343 -1.1137 PRESSURE: 471800 -464.601 -14.7666 25.8935 -14.7666 -232.456 94.5824 25.8944 94.583 -4.15093 GPRESSURE: 471800 -452.276 -8.34705 21.6319 39.0847 -177.238 139.494 -73.2893 39.112 25.9004 PRESSAVG: 471800 5.66866 -10.6292 8.34857 -10.6293 -53.6673 -38.2499 8.3486 -38.25 19.4648 GPRESSAVG: 471800 7.28088 -8.19798 6.84451 -13.8065 -54.7048 -38.1775 8.54328 -38.1275 18.9559 TIMING: 471800 CPU: 1406.39, 0.00298019/step Wall: 1406.39, 0.00298019/step, 3.74858 hours remaining, 206.468750 MB of memory in use. ENERGY: 471800 764.6197 2053.1210 1915.5613 117.8496 -205990.3061 17461.1822 0.0000 0.0000 34357.9297 -149320.0427 300.0563 -183677.9724 -149220.3236 298.9699 -233.7357 -201.2047 557708.2228 -9.5113 -9.4893 PRESSURE: 472000 -54.1503 -64.5171 -52.6535 -64.5172 -149.714 -64.3222 -52.6526 -64.3217 6.63754 GPRESSURE: 472000 -11.6514 -39.8294 -135.118 -107.919 -107.642 13.9438 5.61828 -36.0757 12.4502 PRESSAVG: 472000 -31.3309 -5.3536 -26.3566 -5.35352 -20.6329 7.06817 -26.3565 7.06827 60.5028 GPRESSAVG: 472000 -31.5686 -8.09205 -22.7772 -4.37684 -21.2256 6.52879 -26.3442 8.50207 60.6604 TIMING: 472000 CPU: 1406.99, 0.00299135/step Wall: 1406.99, 0.00299135/step, 3.76245 hours remaining, 206.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 472000 764.9858 2078.1818 1936.6675 120.2961 -206319.1086 17771.9454 0.0000 0.0000 34323.5534 -149323.4785 299.7561 -183647.0319 -149234.0048 299.3348 -65.7423 -35.6143 558295.3034 2.8463 2.6221 PRESSURE: 472200 -371.443 195.977 190.371 195.976 174.215 175.333 190.37 175.334 91.0071 GPRESSURE: 472200 -365.037 207.982 251.631 218.389 264.054 252.444 79.1308 125.807 105.191 PRESSAVG: 472200 -13.8221 0.630052 -10.4632 0.630081 28.81 21.207 -10.4632 21.2069 7.04757 GPRESSAVG: 472200 -13.4822 1.20237 -10.363 0.979643 28.7091 21.8071 -11.2092 20.9464 6.81278 TIMING: 472200 CPU: 1407.59, 0.00298794/step Wall: 1407.59, 0.00298794/step, 3.75799 hours remaining, 206.468750 MB of memory in use. ENERGY: 472200 765.6574 2115.8667 1923.1416 106.5327 -206035.3615 17673.0870 0.0000 0.0000 34241.0247 -149210.0514 299.0354 -183451.0761 -149115.8433 299.9454 -35.4071 1.4028 557020.0669 7.3452 7.3466 LDB: ============= START OF LOAD BALANCING ============== 1411.13 LDB: ============== END OF LOAD BALANCING =============== 1411.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1411.14 LDB: ============= START OF LOAD BALANCING ============== 1411.43 LDB: Largest compute 4773 load 0.028710 is 24.3% of average load 0.118023 LDB: Average compute 0.001750 is 1.5% of average load 0.118023 LDB: TIME 1411.44 LOAD: AVG 0.118023 MAX 0.202341 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.469 MB LDB: TIME 1411.44 LOAD: AVG 0.118023 MAX 0.202341 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.672 MB LDB: TIME 1411.44 LOAD: AVG 0.118023 MAX 0.202341 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.672 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1411.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1411.44 PRESSURE: 472400 88.7678 11.9415 -42.8209 11.9407 -242.685 185.854 -42.8212 185.852 -34.4881 GPRESSURE: 472400 170.946 94.4588 -73.186 22.1851 -244.256 105.771 -57.852 172.687 -17.6876 PRESSAVG: 472400 -48.8221 17.3028 -21.968 17.3027 64.1237 42.4682 -21.968 42.4681 -30.42 GPRESSAVG: 472400 -50.3437 17.6217 -22.6932 18.3732 64.2801 41.2129 -23.441 42.5985 -28.5791 TIMING: 472400 CPU: 1408.19, 0.00302098/step Wall: 1408.19, 0.00302098/step, 3.79939 hours remaining, 207.492188 MB of memory in use. ENERGY: 472400 722.1800 2057.4367 1952.6815 119.9684 -206080.5833 17755.1971 0.0000 0.0000 34220.3517 -149252.7679 298.8548 -183473.1196 -149155.7850 299.7267 -62.8018 -30.3325 556494.9533 -5.0395 -4.8809 PRESSURE: 472600 -11.5269 103.755 104.921 103.756 -46.9808 -44.7231 104.921 -44.7254 -4.44872 GPRESSURE: 472600 62.6973 40.2438 80.4139 80.8095 -92.0286 -77.6349 158.244 -72.6181 70.0683 PRESSAVG: 472600 -12.2933 8.16193 -54.6226 8.16196 -12.8351 22.932 -54.6226 22.932 54.8544 GPRESSAVG: 472600 -11.6459 7.78049 -54.6781 6.41843 -12.6897 22.9195 -52.4103 23.4342 54.506 TIMING: 472600 CPU: 1408.79, 0.00300242/step Wall: 1408.79, 0.00300242/step, 3.77588 hours remaining, 207.695312 MB of memory in use. ENERGY: 472600 745.4015 2101.1881 1934.5968 109.5094 -206049.8322 17745.4359 0.0000 0.0000 34228.0448 -149185.6557 298.9220 -183413.7005 -149096.6718 299.2530 -20.9855 13.5790 557206.8424 9.9087 10.0568 PRESSURE: 472800 47.1519 146.447 69.9807 146.448 16.7261 7.16057 69.9795 7.15908 285.151 GPRESSURE: 472800 120.98 177.252 80.8989 131.042 39.1566 -17.0752 -8.49032 53.5574 280.67 PRESSAVG: 472800 14.8001 11.6156 -50.6967 11.6156 -52.0197 -16.3305 -50.6967 -16.3307 16.9119 GPRESSAVG: 472800 15.2867 11.594 -51.3754 13.8645 -51.7593 -18.1829 -50.2098 -16.6911 16.602 TIMING: 472800 CPU: 1409.39, 0.00299889/step Wall: 1409.39, 0.00299889/step, 3.77127 hours remaining, 207.695312 MB of memory in use. ENERGY: 472800 690.2540 2021.6506 1927.4215 111.5957 -206174.3295 17804.0999 0.0000 0.0000 34526.1387 -149093.1691 301.5254 -183619.3078 -148993.1993 300.0985 116.3429 146.9354 557548.8511 -6.7692 -6.6235 PRESSURE: 473000 345.307 132.297 56.8153 132.299 -151.316 82.4153 56.815 82.4152 -29.023 GPRESSURE: 473000 372.687 76.0943 67.7483 59.2638 -110.738 30.6067 -16.9363 32.7189 -1.70628 PRESSAVG: 473000 -0.954147 30.5071 -11.4289 30.5072 -9.61525 -10.7665 -11.4288 -10.7664 -43.0389 GPRESSAVG: 473000 -1.18831 32.6997 -11.3125 28.2865 -9.00143 -8.73865 -11.7132 -11.3693 -43.265 TIMING: 473000 CPU: 1409.99, 0.00296801/step Wall: 1409.99, 0.00296801/step, 3.73227 hours remaining, 207.695312 MB of memory in use. ENERGY: 473000 742.7935 2051.8356 1924.7701 120.4119 -206144.9642 17924.9552 0.0000 0.0000 34222.8598 -149157.3381 298.8767 -183380.1979 -149066.1336 299.1801 54.9893 86.7475 556749.1034 -17.8694 -17.8183 PRESSURE: 473200 -290.297 -35.0034 45.8754 -35.0031 -182.987 194.054 45.8759 194.053 -2.52818 GPRESSURE: 473200 -301.834 35.0362 119.982 -51.7082 -150.129 178.182 -28.3015 142.636 72.0425 PRESSAVG: 473200 -54.1592 -0.245384 -21.2596 -0.24534 45.2025 21.3071 -21.2595 21.3071 48.7562 GPRESSAVG: 473200 -53.8716 -3.03847 -20.367 0.211617 44.6548 20.8844 -23.5147 22.0826 49.0604 TIMING: 473200 CPU: 1410.58, 0.00294721/step Wall: 1410.58, 0.00294721/step, 3.70596 hours remaining, 207.695312 MB of memory in use. ENERGY: 473200 742.4088 2072.1040 1955.6516 119.3185 -205738.3207 17565.4593 0.0000 0.0000 34078.2198 -149205.1586 297.6136 -183283.3784 -149107.1053 298.4711 -158.6043 -126.6401 558271.1173 13.2665 13.2812 PRESSURE: 473400 -165.057 -30.7251 -66.2969 -30.7251 -130.181 -112.929 -66.2964 -112.93 64.286 GPRESSURE: 473400 -160.212 -9.3853 -22.4194 -31.6618 -66.6603 -56.6354 -109.693 -127.567 104.133 PRESSAVG: 473400 -27.0847 -45.9877 -2.73658 -45.9878 -33.6023 7.89178 -2.73649 7.89168 62.0119 GPRESSAVG: 473400 -28.362 -45.2382 -3.88998 -46.3339 -33.1467 8.79907 -1.2708 6.98964 62.8562 TIMING: 473400 CPU: 1411.16, 0.00294549/step Wall: 1411.16, 0.00294549/step, 3.70362 hours remaining, 207.695312 MB of memory in use. ENERGY: 473400 769.1509 2100.8109 1947.7080 118.8491 -205981.6886 17557.2661 0.0000 0.0000 34320.6732 -149167.2304 299.7310 -183487.9036 -149074.7241 299.0125 -76.9840 -40.9128 556460.1022 0.4416 0.4492 PRESSURE: 473600 -144.145 -147.629 44.7664 -147.629 -188.097 51.5224 44.7665 51.5214 108.405 GPRESSURE: 473600 -102.663 -194.133 154.279 -123.419 -122.634 25.3047 -32.9232 89.7793 96.7753 PRESSAVG: 473600 -16.8161 -39 -1.34993 -39 -47.5541 -23.328 -1.34993 -23.3279 28.4815 GPRESSAVG: 473600 -16.174 -38.4881 -1.96092 -38.4918 -46.4769 -26.0463 -0.936438 -21.3639 26.7879 TIMING: 473600 CPU: 1411.76, 0.00295269/step Wall: 1411.76, 0.00295269/step, 3.71252 hours remaining, 207.695312 MB of memory in use. ENERGY: 473600 740.5394 2076.8572 1930.6993 106.2362 -206070.3802 17564.8154 0.0000 0.0000 34399.7806 -149251.4519 300.4218 -183651.2325 -149155.9659 299.1172 -74.6123 -42.8405 557232.3827 -11.9629 -11.9543 PRESSURE: 473800 -84.4292 3.04068 -28.219 3.04078 127.165 7.38143 -28.22 7.38157 16.5302 GPRESSURE: 473800 6.19833 40.8085 56.0364 27.3239 119.194 18.1921 -11.1912 -28.7689 39.9102 PRESSAVG: 473800 -35.1038 25.9215 2.36584 25.9215 30.8531 49.7473 2.36573 49.7473 26.8963 GPRESSAVG: 473800 -34.8062 26.2215 3.96376 25.317 30.675 51.2006 1.99191 48.6002 26.8154 TIMING: 473800 CPU: 1412.35, 0.00295716/step Wall: 1412.35, 0.00295716/step, 3.71797 hours remaining, 207.695312 MB of memory in use. ENERGY: 473800 762.6679 2103.6483 1933.8806 110.9348 -205915.5087 17752.0720 0.0000 0.0000 34105.0641 -149147.2410 297.8480 -183252.3051 -149055.9678 299.8564 19.7554 55.1008 558009.9882 7.5485 7.5614 PRESSURE: 474000 48.7626 -101.379 -22.7539 -101.38 -117.08 7.35762 -22.7535 7.35733 -18.5784 GPRESSURE: 474000 92.7592 -194.201 -66.6264 -135.009 -118.498 8.33043 23.8926 22.0677 26.6931 PRESSAVG: 474000 -49.6748 -4.98553 -0.61671 -4.98553 14.8791 64.5699 -0.616679 64.57 -20.5221 GPRESSAVG: 474000 -49.6539 -6.3196 -1.74685 -5.87959 13.1184 64.8109 0.2924 63.315 -19.3386 TIMING: 474000 CPU: 1412.94, 0.00297048/step Wall: 1412.94, 0.00297048/step, 3.73455 hours remaining, 207.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 474000 717.9790 2115.3563 1942.2490 105.6250 -205858.8013 17663.8954 0.0000 0.0000 34183.9193 -149129.7775 298.5367 -183313.6968 -149035.1474 300.1512 -28.9654 0.3181 558308.7509 -18.4392 -18.6247 PRESSURE: 474200 -25.0649 -48.4296 63.9281 -48.4305 -223.135 -143.393 63.9265 -143.39 -266.225 GPRESSURE: 474200 -28.6051 -205.694 84.1943 -1.19648 -164.709 -74.6135 89.9701 -154.166 -246.756 PRESSAVG: 474200 24.0876 -20.2604 7.96726 -20.2604 54.9274 -13.2669 7.96719 -13.267 -39.9576 GPRESSAVG: 474200 23.9676 -19.7252 6.50457 -19.1736 55.6179 -10.5997 6.74575 -12.8307 -41.0811 TIMING: 474200 CPU: 1413.54, 0.00297112/step Wall: 1413.54, 0.00297112/step, 3.73519 hours remaining, 207.695312 MB of memory in use. ENERGY: 474200 749.1370 2143.3594 1933.6797 102.0011 -205901.9759 17631.5648 0.0000 0.0000 34303.6625 -149038.5713 299.5824 -183342.2338 -148947.3809 300.2333 -171.4750 -146.6900 559189.7748 13.0191 12.8348 PRESSURE: 474400 224.764 -66.5559 30.8659 -66.556 -166.037 180.392 30.8667 180.393 -14.9441 GPRESSURE: 474400 279.605 -122.765 57.646 -65.5434 -130.356 180.525 -9.34969 203.241 -16.478 PRESSAVG: 474400 -14.8882 -42.102 10.2543 -42.1019 -42.9098 45.7879 10.2543 45.7878 60.1005 GPRESSAVG: 474400 -15.4395 -42.6208 11.1539 -41.0324 -43.3639 42.6082 11.1144 46.9684 60.7952 TIMING: 474400 CPU: 1414.13, 0.00298571/step Wall: 1414.13, 0.00298571/step, 3.75337 hours remaining, 207.695312 MB of memory in use. ENERGY: 474400 750.8814 2124.3599 1936.7527 103.0988 -206026.0172 17803.4422 0.0000 0.0000 34269.6567 -149037.8254 299.2854 -183307.4822 -148938.6989 300.0134 14.5942 44.2571 558443.2903 0.7675 0.6640 PRESSURE: 474600 129.749 101.504 68.0205 101.504 -71.3454 90.6025 68.0201 90.6017 146.042 GPRESSURE: 474600 104.714 20.192 -97.167 180.836 1.13347 63.7278 47.5441 69.1161 197.329 PRESSAVG: 474600 50.3822 9.11231 -2.26174 9.1123 6.98355 80.7101 -2.2618 80.7102 -67.766 GPRESSAVG: 474600 50.7631 11.1956 -2.67527 8.37867 6.51037 81.4523 -3.25627 80.7616 -68.0039 TIMING: 474600 CPU: 1414.73, 0.00298052/step Wall: 1414.73, 0.00298052/step, 3.74668 hours remaining, 207.695312 MB of memory in use. ENERGY: 474600 780.1158 2044.2687 1959.8682 98.7461 -206114.6538 17820.2623 0.0000 0.0000 34514.7359 -148896.6569 301.4258 -183411.3927 -148803.5847 299.7246 68.1486 101.0589 557007.4538 -3.4668 -3.5768 PRESSURE: 474800 -83.9126 -117.172 -188.877 -117.173 -105.316 118.009 -188.877 118.008 -420.913 GPRESSURE: 474800 -19.867 -96.6634 -192.329 -208.4 -105.861 1.74729 -162.883 151.743 -389.162 PRESSAVG: 474800 31.0587 -23.5181 -24.8453 -23.5181 -32.4272 26.8511 -24.8452 26.8512 -13.9965 GPRESSAVG: 474800 31.7851 -24.0992 -26.2941 -24.5658 -31.5395 26.3824 -21.6805 25.0698 -14.9163 TIMING: 474800 CPU: 1415.33, 0.0029917/step Wall: 1415.33, 0.0029917/step, 3.76056 hours remaining, 207.695312 MB of memory in use. ENERGY: 474800 731.7883 2086.0266 1921.8260 113.1177 -205752.2766 17478.9608 0.0000 0.0000 34460.9138 -148959.6435 300.9557 -183420.5573 -148858.8804 300.2229 -203.3808 -171.6302 557704.8604 -5.1217 -4.8902 PRESSURE: 475000 26.9383 -5.60445 -97.5579 -5.60543 -130.963 -227.825 -97.5584 -227.827 -108.424 GPRESSURE: 475000 91.863 153.688 -140.78 -101.846 -104.522 -204.897 -84.5093 -255.258 -107.664 PRESSAVG: 475000 39.9638 36.4907 -27.148 36.4907 -0.91541 -30.176 -27.1481 -30.1761 -60.5702 GPRESSAVG: 475000 40.8612 36.6031 -24.7937 36.7354 -2.06068 -30.9934 -29.4889 -28.6409 -60.2024 TIMING: 475000 CPU: 1415.92, 0.00294298/step Wall: 1415.92, 0.00294298/step, 3.69916 hours remaining, 207.695312 MB of memory in use. ENERGY: 475000 739.0985 2099.9442 1938.8428 121.1867 -205973.6654 17568.6960 0.0000 0.0000 34284.5764 -149221.3209 299.4157 -183505.8973 -149122.2885 299.8358 -70.8163 -40.1077 557188.7876 -7.1740 -7.1340 PRESSURE: 475200 123.77 108.822 26.0382 108.822 -298.202 25.3129 26.0377 25.3116 -166.183 GPRESSURE: 475200 149.846 103.004 -14.5768 20.7208 -290.354 -41.5374 -43.2321 10.9531 -95.3408 PRESSAVG: 475200 9.72465 -21.4312 -14.1952 -21.4312 94.0513 -21.4456 -14.1952 -21.4455 -84.6214 GPRESSAVG: 475200 8.4975 -23.4703 -15.7624 -20.1158 95.7589 -18.6888 -13.2259 -22.5566 -84.8302 TIMING: 475200 CPU: 1416.51, 0.00295303/step Wall: 1416.51, 0.00295303/step, 3.71163 hours remaining, 207.695312 MB of memory in use. ENERGY: 475200 717.1493 2064.2625 1931.9701 115.7038 -206113.6799 17643.0629 0.0000 0.0000 34255.0398 -149386.4916 299.1578 -183641.5314 -149289.4311 298.8291 -113.5385 -78.6164 558001.3747 6.3848 6.4754 PRESSURE: 475400 -96.0308 64.7332 66.8044 64.7346 30.2682 -163.311 66.8037 -163.31 -2.55117 GPRESSURE: 475400 -68.084 100.664 80.0592 42.9938 92.2828 -93.8586 -10.581 -115.752 3.96643 PRESSAVG: 475400 32.7665 7.05595 5.305 7.05601 30.0626 60.9676 5.30497 60.9676 -30.0073 GPRESSAVG: 475400 33.2389 8.74346 6.69456 6.56986 29.3518 62.4458 2.99814 61.8374 -29.0596 TIMING: 475400 CPU: 1417.09, 0.00293552/step Wall: 1417.09, 0.00293552/step, 3.68946 hours remaining, 207.695312 MB of memory in use. ENERGY: 475400 772.4226 2112.0014 1922.7773 113.2851 -206510.6936 17944.1895 0.0000 0.0000 34363.0922 -149282.9255 300.1014 -183646.0177 -149196.3235 298.9917 -22.7713 9.3884 558371.5599 10.9406 11.1771 PRESSURE: 475600 -137.831 26.3095 48.9864 26.3105 -454.472 183.262 48.9851 183.259 58.621 GPRESSURE: 475600 -132.652 141.268 41.3091 -48.6445 -357.926 169.933 91.2045 67.8559 67.1746 PRESSAVG: 475600 11.5726 3.939 -33.0545 3.9391 11.0235 35.8792 -33.0546 35.8792 10.1264 GPRESSAVG: 475600 11.2354 4.47045 -32.659 4.58032 11.6969 33.5795 -33.6453 36.0121 9.62612 TIMING: 475600 CPU: 1417.69, 0.00296556/step Wall: 1417.69, 0.00296556/step, 3.72705 hours remaining, 207.695312 MB of memory in use. ENERGY: 475600 815.2905 2073.7564 1922.2588 103.6286 -206015.7960 17622.2279 0.0000 0.0000 34061.1110 -149417.5228 297.4642 -183478.6339 -149323.8588 298.8678 -177.8942 -141.1346 557807.4497 10.9075 10.8528 PRESSURE: 475800 -106.756 60.0907 -61.5923 60.0901 86.9183 54.307 -61.5918 54.3059 11.9805 GPRESSURE: 475800 -75.9055 70.1467 -12.8718 -23.4183 99.0171 48.4758 -73.8098 53.4148 73.3792 PRESSAVG: 475800 -47.2348 31.3972 -51.9558 31.3973 -18.9893 25.7301 -51.9558 25.7301 22.8412 GPRESSAVG: 475800 -47.2487 30.352 -52.6121 28.9878 -18.1459 25.5972 -49.9562 24.5553 21.7445 TIMING: 475800 CPU: 1418.28, 0.00297394/step Wall: 1418.28, 0.00297394/step, 3.73741 hours remaining, 207.695312 MB of memory in use. ENERGY: 475800 745.0352 2110.6250 1915.4359 105.1093 -206302.0928 17836.8726 0.0000 0.0000 34344.0796 -149244.9352 299.9354 -183589.0148 -149148.1708 298.7218 -2.6190 32.1636 556637.5300 -14.4610 -14.5500 PRESSURE: 476000 109.537 63.4422 -116.122 63.4428 5.5616 121.692 -116.122 121.693 104.982 GPRESSURE: 476000 191.174 5.2297 -103.149 72.4198 31.0781 144.842 -90.8982 111.484 91.4967 PRESSAVG: 476000 22.9394 19.6484 -73.194 19.6484 -10.4947 32.3122 -73.1941 32.3121 16.0484 GPRESSAVG: 476000 23.5347 17.9578 -72.5682 23.6868 -11.1893 32.9175 -73.5511 34.6326 16.627 TIMING: 476000 CPU: 1418.87, 0.0029654/step Wall: 1418.87, 0.0029654/step, 3.72652 hours remaining, 207.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 476000 760.4675 2072.3980 1943.6311 116.8600 -206396.4738 17930.4577 0.0000 0.0000 34343.8727 -149228.7867 299.9336 -183572.6595 -149132.2584 299.1254 73.3602 104.5830 556092.5538 9.4977 9.6575 PRESSURE: 476200 -73.2426 21.6769 -1.12886 21.6765 15.6323 53.881 -1.12801 53.8821 84.5506 GPRESSURE: 476200 -63.35 -46.8375 -42.708 110.18 97.597 16.2356 -50.5778 51.316 94.4879 PRESSAVG: 476200 -45.2537 -9.66457 -75.9838 -9.66452 45.3556 12.1228 -75.9839 12.1228 -9.7731 GPRESSAVG: 476200 -46.1514 -8.38359 -77.0308 -12.0614 45.5442 11.2462 -76.8583 11.1612 -8.9338 TIMING: 476200 CPU: 1419.47, 0.00299026/step Wall: 1419.47, 0.00299026/step, 3.75759 hours remaining, 207.695312 MB of memory in use. ENERGY: 476200 718.3972 2094.4399 1949.0687 110.8676 -206266.2190 17787.5912 0.0000 0.0000 34324.8925 -149280.9620 299.7678 -183605.8546 -149186.7261 299.1456 8.9801 42.9117 557406.3501 -3.2237 -3.1803 LDB: ============= START OF LOAD BALANCING ============== 1423.03 LDB: ============== END OF LOAD BALANCING =============== 1423.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1423.03 LDB: ============= START OF LOAD BALANCING ============== 1423.33 LDB: Largest compute 4796 load 0.027201 is 23.0% of average load 0.118046 LDB: Average compute 0.001745 is 1.5% of average load 0.118046 LDB: TIME 1423.33 LOAD: AVG 0.118046 MAX 0.206764 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.469 MB LDB: TIME 1423.33 LOAD: AVG 0.118046 MAX 0.206764 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.469 MB LDB: TIME 1423.33 LOAD: AVG 0.118046 MAX 0.206764 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.469 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1423.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1423.34 PRESSURE: 476400 -102.201 -0.515477 94.5474 -0.515072 -258.943 -84.3728 94.5475 -84.3715 -218.526 GPRESSURE: 476400 -72.7425 -53.053 146.455 28.9271 -224.799 -15.0713 135.533 -86.1069 -192.05 PRESSAVG: 476400 -37.8646 -53.3304 -7.82506 -53.3304 6.46906 -51.4532 -7.82504 -51.4531 -3.68801 GPRESSAVG: 476400 -37.5093 -55.7645 -7.25426 -53.1873 6.57006 -50.2596 -5.34471 -50.8407 -3.76403 TIMING: 476400 CPU: 1420.09, 0.00308394/step Wall: 1420.09, 0.00308394/step, 3.87514 hours remaining, 206.980469 MB of memory in use. ENERGY: 476400 788.5163 2094.7718 1941.5829 98.1740 -205919.0307 17491.8723 0.0000 0.0000 34367.3599 -149136.7535 300.1387 -183504.1134 -149046.9349 299.0578 -193.2236 -163.1969 557486.5885 -11.6945 -11.5678 PRESSURE: 476600 18.5865 -78.769 25.9238 -78.7699 -5.32576 33.2519 25.9244 33.2514 70.0514 GPRESSURE: 476600 52.4888 -97.6399 79.1997 19.7544 46.7966 10.2682 39.5677 41.9694 71.2355 PRESSAVG: 476600 -14.6769 -11.6409 24.4272 -11.6409 67.4152 6.84151 24.4272 6.84152 -37.5498 GPRESSAVG: 476600 -14.2208 -9.59695 23.5425 -9.89199 66.9593 4.98472 22.5616 6.67736 -37.4961 TIMING: 476600 CPU: 1420.69, 0.00298935/step Wall: 1420.69, 0.00298935/step, 3.75612 hours remaining, 206.980469 MB of memory in use. ENERGY: 476600 758.3488 2094.0486 1921.6854 109.1243 -206263.2790 17954.6386 0.0000 0.0000 34146.9568 -149278.4765 298.2139 -183425.4334 -149174.6802 298.9115 27.7707 56.8403 556670.1478 5.0629 5.0808 PRESSURE: 476800 -45.1907 26.4124 48.3362 26.4126 -66.6043 73.7132 48.3362 73.715 91.4077 GPRESSURE: 476800 -3.14775 59.5345 43.5291 62.9362 -10.8781 -10.2017 -18.9212 109.683 94.2247 PRESSAVG: 476800 -24.0267 -40.0295 4.13656 -40.0295 57.4619 21.9073 4.13663 21.9074 -47.28 GPRESSAVG: 476800 -24.8807 -39.1863 5.06064 -42.4562 57.882 23.001 6.17289 21.4087 -47.3168 TIMING: 476800 CPU: 1421.28, 0.00297969/step Wall: 1421.28, 0.00297969/step, 3.74382 hours remaining, 206.980469 MB of memory in use. ENERGY: 476800 706.8588 2089.2311 1943.6821 108.2058 -206348.9522 17804.3473 0.0000 0.0000 34376.8856 -149319.7416 300.2219 -183696.6272 -149219.5523 299.1395 -6.7958 26.7329 557580.5111 -4.6149 -4.7718 PRESSURE: 477000 144.868 -98.5493 7.58974 -98.5479 -44.704 3.82575 7.58952 3.82638 -28.6607 GPRESSURE: 477000 166.343 -78.2632 -31.7173 -132.955 -9.82516 40.2453 36.8648 -96.1374 14.7219 PRESSAVG: 477000 59.8358 -40.5403 -8.78584 -40.5403 -49.1569 78.2349 -8.78579 78.2349 -2.7889 GPRESSAVG: 477000 61.0942 -41.4564 -10.0494 -38.8424 -50.3849 78.3517 -7.98592 78.0739 -2.39058 TIMING: 477000 CPU: 1421.89, 0.00301219/step Wall: 1421.89, 0.00301219/step, 3.78448 hours remaining, 206.980469 MB of memory in use. ENERGY: 477000 737.1660 2035.7163 1943.1624 120.6848 -206339.2594 17842.9273 0.0000 0.0000 34265.3457 -149394.2569 299.2478 -183659.6026 -149295.0910 298.5733 23.8344 57.0798 557780.6652 2.6300 2.7729 PRESSURE: 477200 166.899 -43.9311 -80.8169 -43.9307 -105.158 -152.093 -80.8164 -152.095 -300.169 GPRESSURE: 477200 167.229 -58.9642 -91.9542 -70.3182 -97.9885 -179.483 -118.599 -96.8894 -217.48 PRESSAVG: 477200 -14.5637 -54.9138 -22.2478 -54.9137 -35.4566 38.4555 -22.2478 38.4556 35.3105 GPRESSAVG: 477200 -15.2149 -56.1918 -23.2687 -56.8006 -33.7227 38.6469 -21.6208 37.3272 34.77 TIMING: 477200 CPU: 1422.48, 0.00299609/step Wall: 1422.48, 0.00299609/step, 3.76408 hours remaining, 206.980469 MB of memory in use. ENERGY: 477200 745.5909 2116.5208 1958.0193 110.8461 -206136.8039 17827.0018 0.0000 0.0000 34085.2905 -149293.5344 297.6753 -183378.8249 -149192.8138 298.3884 -79.4759 -49.4131 558642.8999 -4.9033 -4.7226 PRESSURE: 477400 202.996 -10.0414 -76.0338 -10.0418 173.575 -42.8317 -76.0334 -42.8327 -55.8224 GPRESSURE: 477400 271.429 -44.3288 -5.97733 23.1097 136.313 -34.7075 -50.338 -49.3349 1.55346 PRESSAVG: 477400 3.84488 -22.7514 -21.2477 -22.7515 -16.6238 39.3419 -21.2478 39.3419 -15.5446 GPRESSAVG: 477400 5.10996 -21.4323 -18.3855 -21.469 -16.9791 39.4782 -23.2113 40.7819 -16.4711 TIMING: 477400 CPU: 1423.08, 0.0029734/step Wall: 1423.08, 0.0029734/step, 3.73542 hours remaining, 206.980469 MB of memory in use. ENERGY: 477400 732.3668 2100.8986 1943.7973 101.1170 -206455.8276 18108.8872 0.0000 0.0000 34204.8194 -149263.9412 298.7192 -183468.7606 -149169.1154 298.7380 106.9161 136.4318 558290.1462 -9.4412 -9.4467 PRESSURE: 477600 31.9033 -30.042 88.9757 -30.0426 -202.624 -9.9049 88.9761 -9.90334 -331.696 GPRESSURE: 477600 24.0677 -11.136 106.639 -66.2687 -126.349 -64.765 31.7374 -20.1964 -310.489 PRESSAVG: 477600 -17.7577 -19.814 12.7227 -19.8141 4.25644 -5.08616 12.7227 -5.08607 -44.8087 GPRESSAVG: 477600 -18.0553 -19.5029 14.7197 -19.5365 3.96489 -6.1153 12.2941 -6.64761 -44.207 TIMING: 477600 CPU: 1423.67, 0.00297727/step Wall: 1423.67, 0.00297727/step, 3.74011 hours remaining, 206.980469 MB of memory in use. ENERGY: 477600 724.9069 2031.1146 1915.2786 120.0219 -205666.4772 17575.7779 0.0000 0.0000 34061.8545 -149237.5228 297.4706 -183299.3773 -149135.2961 299.3727 -167.4720 -137.5904 558465.4281 -19.4367 -19.4325 PRESSURE: 477800 -216.546 18.2972 -23.4015 18.2976 132.544 -150.786 -23.4018 -150.786 -228.616 GPRESSURE: 477800 -145.42 28.1502 -107.379 -11.0583 166.009 -109.766 23.7618 -233.081 -234.658 PRESSAVG: 477800 -36.4794 34.2876 30.559 34.2877 84.1223 20.0131 30.5589 20.013 -44.4796 GPRESSAVG: 477800 -37.1409 34.0844 29.8168 32.482 84.8086 20.069 29.4391 18.5528 -44.6688 TIMING: 477800 CPU: 1424.27, 0.00296199/step Wall: 1424.27, 0.00296199/step, 3.72076 hours remaining, 206.980469 MB of memory in use. ENERGY: 477800 736.0712 2059.4562 1933.2557 109.8771 -206480.5166 17880.6232 0.0000 0.0000 34492.1616 -149269.0715 301.2286 -183761.2331 -149170.9202 299.0409 -104.2059 -71.3561 557552.4281 1.0545 0.9996 PRESSURE: 478000 -118.348 -83.1033 78.2545 -83.1034 101.565 -15.3432 78.2563 -15.3427 219.638 GPRESSURE: 478000 -85.8563 -166.137 151.355 24.89 136.884 39.913 106.846 -28.7118 240.827 PRESSAVG: 478000 -36.2926 6.39989 -10.9368 6.39967 37.7964 -26.5377 -10.9367 -26.5378 13.5578 GPRESSAVG: 478000 -37.4306 7.21064 -10.6374 5.20675 38.4497 -24.8418 -10.2329 -26.0235 13.8332 TIMING: 478000 CPU: 1424.86, 0.00297594/step Wall: 1424.86, 0.00297594/step, 3.73811 hours remaining, 206.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 478000 723.3689 2085.7996 1937.7587 116.4703 -206147.7088 17964.5237 0.0000 0.0000 34147.9687 -149171.8189 298.2227 -183319.7876 -149072.6640 299.5215 67.6184 97.2850 558876.5366 5.0205 4.9508 PRESSURE: 478200 -3.2094 -55.0369 -23.1618 -55.0367 244.903 6.92625 -23.1621 6.92573 209.878 GPRESSURE: 478200 26.8774 -19.4883 54.0399 -75.7047 259.271 71.8202 -98.52 -0.397409 242.511 PRESSAVG: 478200 33.3114 -13.6085 -19.1083 -13.6086 33.8683 -42.1227 -19.1083 -42.1227 -90.532 GPRESSAVG: 478200 33.0109 -14.562 -19.9098 -12.1196 33.4166 -42.8592 -17.7319 -42.0625 -90.272 TIMING: 478200 CPU: 1425.45, 0.00294429/step Wall: 1425.45, 0.00294429/step, 3.6982 hours remaining, 206.980469 MB of memory in use. ENERGY: 478200 680.0908 2133.2920 1947.1138 116.8121 -206068.3652 17878.5395 0.0000 0.0000 34124.7459 -149187.7711 298.0199 -183312.5169 -149099.9508 298.8925 150.5241 176.2198 557688.4870 -7.7841 -7.9482 PRESSURE: 478400 -182.13 44.224 -71.6444 44.2246 -112.037 -5.97638 -71.6432 -5.97587 243.052 GPRESSURE: 478400 -166.205 -59.7469 85.6165 87.7888 -36.3032 39.163 -70.9279 30.0444 250.833 PRESSAVG: 478400 -22.0839 -4.05257 41.2927 -4.05252 33.8368 11.3881 41.2927 11.3879 32.5208 GPRESSAVG: 478400 -21.5648 -4.82496 43.1857 -3.70017 34.3651 12.715 40.0455 12.3056 31.5213 TIMING: 478400 CPU: 1426.04, 0.00295665/step Wall: 1426.04, 0.00295665/step, 3.71355 hours remaining, 206.980469 MB of memory in use. ENERGY: 478400 728.8052 2175.6112 1928.0635 114.0585 -206144.6303 17757.4394 0.0000 0.0000 34260.8296 -149179.8230 299.2083 -183440.6526 -149087.2760 299.0729 -17.0384 16.1084 557022.0267 14.7579 14.7739 PRESSURE: 478600 -137.638 115.913 -98.9802 115.912 245.888 13.4077 -98.979 13.4081 18.9183 GPRESSURE: 478600 -120.893 223.837 -122.88 10.4351 349.379 -36.8606 -114.228 62.5603 -4.99634 PRESSAVG: 478600 -61.4667 -20.7255 8.48256 -20.7255 1.99598 16.6169 8.48248 16.6168 38.8475 GPRESSAVG: 478600 -61.5741 -19.1968 4.55151 -21.8462 2.96846 15.8031 9.61297 16.1756 38.036 TIMING: 478600 CPU: 1426.63, 0.00295901/step Wall: 1426.63, 0.00295901/step, 3.71635 hours remaining, 206.980469 MB of memory in use. ENERGY: 478600 725.2784 2141.0048 1939.0276 101.9528 -206248.2458 18107.3007 0.0000 0.0000 34117.7201 -149115.9614 297.9585 -183233.6815 -149019.3848 298.8933 42.3894 74.4969 558160.7588 -6.8744 -6.8565 PRESSURE: 478800 71.2021 90.2807 20.6149 90.2812 143.256 65.6447 20.6148 65.6453 20.6652 GPRESSURE: 478800 169.056 1.75704 -21.6527 91.3025 95.38 88.1466 5.6811 45.4198 84.0094 PRESSAVG: 478800 -6.67521 23.3447 -41.1773 23.3447 -15.1144 42.5926 -41.1773 42.5926 2.01286 GPRESSAVG: 478800 -5.59717 21.6978 -39.729 22.916 -16.552 41.6229 -41.9155 44.1715 2.14359 TIMING: 478800 CPU: 1427.23, 0.00295985/step Wall: 1427.23, 0.00295985/step, 3.71724 hours remaining, 206.980469 MB of memory in use. ENERGY: 478800 751.1442 2062.8216 1933.1615 104.8833 -206004.1047 18016.9931 0.0000 0.0000 34225.9806 -148909.1205 298.9040 -183135.1011 -148815.0270 299.3738 78.3745 116.1483 559054.9530 -6.5923 -6.6685 PRESSURE: 479000 -213.005 -3.15539 31.2204 -3.15383 -195.955 112.684 31.2202 112.683 -95.0161 GPRESSURE: 479000 -222.329 -12.9105 55.93 -54.6391 -131.815 163.709 -42.2133 111.218 -39.6744 PRESSAVG: 479000 -30.2649 35.5223 12.7051 35.5222 -26.0389 69.2141 12.705 69.2141 18.062 GPRESSAVG: 479000 -30.9085 35.3682 12.012 36.6209 -26.4734 70.2996 14.1599 67.8173 18.9285 TIMING: 479000 CPU: 1427.82, 0.00296584/step Wall: 1427.82, 0.00296584/step, 3.72461 hours remaining, 206.980469 MB of memory in use. ENERGY: 479000 757.3270 2090.9748 1919.9954 98.3692 -205898.3924 17765.6788 0.0000 0.0000 34217.6213 -149048.4260 298.8310 -183266.0473 -148950.7470 300.0345 -167.9922 -131.2728 560206.1714 -12.7473 -12.8178 PRESSURE: 479200 -267.548 14.1551 -164.19 14.1562 -275.67 90.9656 -164.191 90.9656 -108.575 GPRESSURE: 479200 -245.799 3.02793 -209.302 26.446 -220.87 100.65 -116.338 134.475 -87.181 PRESSAVG: 479200 -34.5092 12.6978 -35.6572 12.6978 -12.0643 18.2561 -35.6572 18.2561 37.461 GPRESSAVG: 479200 -35.4067 14.2836 -35.9556 13.0152 -11.5957 18.5094 -35.9099 19.0336 37.5386 TIMING: 479200 CPU: 1428.41, 0.00296225/step Wall: 1428.41, 0.00296225/step, 3.71993 hours remaining, 206.980469 MB of memory in use. ENERGY: 479200 730.8041 2048.9423 1945.0492 124.4048 -205840.9881 17556.8975 0.0000 0.0000 34354.9232 -149079.9670 300.0301 -183434.8902 -148980.2260 299.5352 -217.2643 -184.6168 559201.6255 -3.0375 -3.1546 PRESSURE: 479400 40.9332 158.431 42.832 158.432 21.436 -53.355 42.8318 -53.3536 -136.958 GPRESSURE: 479400 112.146 181.608 -2.20432 82.4547 21.8697 -156.793 123.443 -20.1459 -116.623 PRESSAVG: 479400 39.792 32.5655 11.1274 32.5655 2.88332 -6.44036 11.1274 -6.44035 -10.0448 GPRESSAVG: 479400 41.4901 30.9046 11.0349 33.5334 1.45854 -6.18645 12.0804 -5.31144 -10.9561 TIMING: 479400 CPU: 1429.01, 0.00300231/step Wall: 1429.01, 0.00300231/step, 3.77007 hours remaining, 206.980469 MB of memory in use. ENERGY: 479400 766.8964 2058.8179 1972.9148 111.4889 -206097.6028 17844.2323 0.0000 0.0000 34118.6295 -149224.6230 297.9665 -183343.2525 -149130.3928 298.8293 -24.8628 5.7977 557386.1595 10.8769 10.6642 PRESSURE: 479600 -229.285 43.3695 209.992 43.3696 -85.7843 69.4977 209.992 69.4962 -56.007 GPRESSURE: 479600 -134.008 61.7963 188.274 47.7545 -101.426 89.7511 180.242 23.3341 -28.3365 PRESSAVG: 479600 60.869 50.5462 54.6795 50.5461 -10.1622 6.51379 54.6795 6.51375 -39.2036 GPRESSAVG: 479600 60.2316 51.9967 56.0647 50.2369 -9.69709 6.32823 54.5154 5.91001 -38.7889 TIMING: 479600 CPU: 1429.61, 0.00299135/step Wall: 1429.61, 0.00299135/step, 3.75614 hours remaining, 206.980469 MB of memory in use. ENERGY: 479600 711.2656 2063.2372 1952.5855 114.3614 -206190.7044 17761.5998 0.0000 0.0000 34360.4473 -149227.2075 300.0783 -183587.6548 -149139.4627 299.3457 -123.6920 -87.9233 558911.7100 3.8344 3.9152 PRESSURE: 479800 -95.2405 114.291 67.0601 114.289 -128.069 8.27627 67.0588 8.27559 97.0834 GPRESSURE: 479800 -98.133 61.5738 111.157 121.705 -88.7923 42.8228 -17.8102 -17.913 158.381 PRESSAVG: 479800 45.6666 61.942 89.7878 61.942 -23.7676 35.1307 89.7878 35.1308 6.78732 GPRESSAVG: 479800 44.7373 61.9363 87.6267 62.1431 -22.9299 33.0925 89.9572 35.4268 6.56459 TIMING: 479800 CPU: 1430.21, 0.00299127/step Wall: 1430.21, 0.00299127/step, 3.75587 hours remaining, 206.980469 MB of memory in use. ENERGY: 479800 754.8471 2084.6915 1956.3163 117.1665 -205979.1656 17612.5866 0.0000 0.0000 34184.6516 -149268.9060 298.5431 -183453.5576 -149180.1301 299.7360 -42.0754 -9.5149 558419.1496 9.5621 9.4573 PRESSURE: 480000 104.903 40.9434 -35.8932 40.9429 205.256 58.1214 -35.8938 58.1214 -294.486 GPRESSURE: 480000 123.868 82.2066 -13.0367 -0.671995 220.345 113.465 -91.2348 -9.33831 -246.206 PRESSAVG: 480000 -17.2714 39.9205 34.4771 39.9206 -1.30757 50.0282 34.4771 50.0282 5.86583 GPRESSAVG: 480000 -15.7081 39.4115 35.9084 39.869 -2.43182 50.7564 34.1604 49.9123 5.37524 TIMING: 480000 CPU: 1430.8, 0.00297987/step Wall: 1430.8, 0.00297987/step, 3.74139 hours remaining, 206.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 480000 764.0870 2042.6217 1952.2773 109.8147 -206253.0807 17864.9567 0.0000 0.0000 34263.2482 -149256.0750 299.2295 -183519.3233 -149167.5545 299.1359 5.2244 32.6689 558304.0711 -4.2377 -4.2549 PRESSURE: 480200 6.76185 36.8819 9.02633 36.8826 164.115 -72.4394 9.02574 -72.4384 96.8956 GPRESSURE: 480200 66.5664 63.9843 -7.66351 54.9276 190.732 2.00155 54.9027 -73.5228 117.269 PRESSAVG: 480200 -19.359 46.473 -5.6363 46.4731 7.36566 22.3341 -5.63629 22.3341 -25.9702 GPRESSAVG: 480200 -20.6868 47.5919 -5.94377 47.748 8.14385 22.9563 -5.11624 22.1576 -25.3886 TIMING: 480200 CPU: 1431.4, 0.00298813/step Wall: 1431.4, 0.00298813/step, 3.7516 hours remaining, 206.980469 MB of memory in use. ENERGY: 480200 741.9529 2063.9310 1934.1843 97.3254 -206220.0109 17899.7895 0.0000 0.0000 34257.5921 -149225.2357 299.1801 -183482.8278 -149123.6959 299.7162 89.2574 124.8561 558564.8501 -12.6545 -12.6439 LDB: ============= START OF LOAD BALANCING ============== 1434.95 LDB: ============== END OF LOAD BALANCING =============== 1434.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1434.95 LDB: ============= START OF LOAD BALANCING ============== 1435.25 LDB: Largest compute 4796 load 0.027166 is 23.0% of average load 0.118051 LDB: Average compute 0.001742 is 1.5% of average load 0.118051 LDB: TIME 1435.25 LOAD: AVG 0.118051 MAX 0.206004 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.473 MB LDB: TIME 1435.25 LOAD: AVG 0.118051 MAX 0.206004 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.473 MB LDB: TIME 1435.25 LOAD: AVG 0.118051 MAX 0.206004 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.473 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1435.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1435.26 PRESSURE: 480400 -275.376 37.5791 -12.1244 37.5791 -94.4504 100.409 -12.1256 100.41 -130.239 GPRESSURE: 480400 -272.894 108.287 29.3912 42.3099 -51.0799 57.7558 -29.0712 50.4827 -73.5383 PRESSAVG: 480400 -51.3851 26.0469 5.40789 26.0468 50.6402 -10.1304 5.40784 -10.1304 42.0893 GPRESSAVG: 480400 -49.8809 25.387 5.10379 24.7406 50.9426 -9.91751 5.27357 -11.0546 40.9182 TIMING: 480400 CPU: 1432.01, 0.003032/step Wall: 1432.01, 0.003032/step, 3.80651 hours remaining, 206.472656 MB of memory in use. ENERGY: 480400 733.2872 2039.1423 1918.4706 98.4918 -206179.1998 17726.0408 0.0000 0.0000 34233.8613 -149429.9058 298.9728 -183663.7671 -149323.3514 299.6600 -166.6885 -132.5041 558673.0255 13.7815 13.9933 PRESSURE: 480600 60.5741 12.0937 38.4363 12.0937 -89.4055 14.651 38.4371 14.6521 -137.051 GPRESSURE: 480600 111.712 -111.365 120.505 47.3688 -78.4494 65.7545 6.40889 42.634 -85.7835 PRESSAVG: 480600 -59.4267 37.0504 53.7427 37.0503 11.2831 62.6545 53.7428 62.6544 44.9759 GPRESSAVG: 480600 -60.0919 35.5918 53.7105 38.133 11.1725 63.4249 54.906 64.6458 46.413 TIMING: 480600 CPU: 1432.6, 0.00295984/step Wall: 1432.6, 0.00295984/step, 3.71575 hours remaining, 206.472656 MB of memory in use. ENERGY: 480600 759.5746 2090.1886 1929.3075 96.8766 -206200.0366 17937.3747 0.0000 0.0000 34006.3051 -149380.4095 296.9855 -183386.7146 -149289.6869 298.0983 -55.2941 -17.5071 559856.4296 -1.0559 -0.8355 PRESSURE: 480800 -78.1297 55.1802 -163.398 55.1804 -82.6557 154.539 -163.398 154.54 -81.0649 GPRESSURE: 480800 -51.9324 93.2987 -94.2181 31.6131 -15.3916 182.189 -253.004 111.474 -74.504 PRESSAVG: 480800 -89.7729 11.0298 21.2461 11.0299 30.5711 71.6048 21.2461 71.6048 57.134 GPRESSAVG: 480800 -89.2462 11.2413 22.4949 10.45 30.324 70.4508 20.4699 70.2886 56.6522 TIMING: 480800 CPU: 1433.19, 0.0029561/step Wall: 1433.19, 0.0029561/step, 3.71089 hours remaining, 206.472656 MB of memory in use. ENERGY: 480800 756.3724 2074.2589 1976.1956 109.4904 -206451.9199 17803.1534 0.0000 0.0000 34304.7202 -149427.7291 299.5917 -183732.4493 -149331.1972 298.2377 -80.6168 -47.2760 557312.9744 -0.6893 -0.7567 PRESSURE: 481000 2.141 98.8724 148.998 98.8723 -12.5345 123.752 148.998 123.751 -192.516 GPRESSURE: 481000 61.1605 246.276 97.5857 -78.1262 -14.4011 67.2429 147.867 109.894 -162.527 PRESSAVG: 481000 20.3569 76.4865 -10.2996 76.4865 -53.1776 17.9091 -10.2997 17.909 -8.79585 GPRESSAVG: 481000 20.8551 77.8225 -12.4462 76.5483 -52.5732 18.2546 -10.0667 19.2452 -10.1068 TIMING: 481000 CPU: 1433.78, 0.00295978/step Wall: 1433.78, 0.00295978/step, 3.71535 hours remaining, 206.472656 MB of memory in use. ENERGY: 481000 757.8572 2085.9173 1917.2628 107.8154 -206220.5709 17707.6240 0.0000 0.0000 34309.0542 -149335.0400 299.6295 -183644.0942 -149230.5792 298.8133 -67.6364 -38.5892 556802.1160 -13.8722 -13.9416 PRESSURE: 481200 -80.5544 48.6986 46.9228 48.6979 299.267 -86.6329 46.9234 -86.6328 72.0961 GPRESSURE: 481200 -18.948 3.38006 38.1456 4.92756 294.537 -148.757 117.441 -17.8194 109.953 PRESSAVG: 481200 -42.8245 7.04558 -8.93561 7.04566 34.8203 -16.3471 -8.93555 -16.3472 -28.7567 GPRESSAVG: 481200 -44.7863 7.46388 -8.57532 7.32736 34.1084 -15.8131 -9.18038 -16.3281 -26.6332 TIMING: 481200 CPU: 1434.37, 0.00295115/step Wall: 1434.37, 0.00295115/step, 3.70435 hours remaining, 206.734375 MB of memory in use. ENERGY: 481200 732.0043 2106.1408 1936.5747 107.2895 -206621.0086 18078.8185 0.0000 0.0000 34287.7251 -149372.4557 299.4432 -183660.1808 -149277.1211 299.4632 96.9362 128.5139 556555.3418 -12.2537 -12.4371 PRESSURE: 481400 -80.3162 32.9562 72.6565 32.9561 223.325 -246.39 72.6557 -246.391 -31.2428 GPRESSURE: 481400 -35 75.2129 21.7452 24.7017 227.714 -287.306 17.329 -221.214 15.5659 PRESSAVG: 481400 -13.6368 44.3172 10.7966 44.3171 27.8667 -98.42 10.7965 -98.42 27.4798 GPRESSAVG: 481400 -13.4646 44.7413 11.0006 42.9756 29.57 -99.3413 10.1469 -97.3842 26.2304 TIMING: 481400 CPU: 1434.96, 0.00294359/step Wall: 1434.96, 0.00294359/step, 3.6947 hours remaining, 206.734375 MB of memory in use. ENERGY: 481400 756.3662 2082.3302 1926.9543 112.9945 -206470.6839 17990.2871 0.0000 0.0000 34244.2002 -149357.5514 299.0631 -183601.7516 -149256.2266 298.5853 37.2555 69.4265 556232.1218 13.9032 14.1119 PRESSURE: 481600 307.362 14.7201 51.1703 14.7191 62.9776 -105.824 51.1695 -105.825 -252.253 GPRESSURE: 481600 274.313 16.4627 50.092 13.2081 122.732 -33.5812 10.1525 -130.076 -187.253 PRESSAVG: 481600 1.37776 7.65714 -20.2039 7.65713 9.05064 -20.8121 -20.204 -20.8121 6.70113 GPRESSAVG: 481600 2.24624 7.01036 -18.6851 8.97871 8.36036 -19.8932 -20.2439 -22.7291 6.74679 TIMING: 481600 CPU: 1435.55, 0.00294444/step Wall: 1435.55, 0.00294444/step, 3.6956 hours remaining, 206.734375 MB of memory in use. ENERGY: 481600 792.9421 2128.0430 1950.7786 103.8291 -206464.5164 17878.7926 0.0000 0.0000 34272.4219 -149337.7091 299.3096 -183610.1310 -149245.6435 298.6285 39.3622 69.9305 555904.7135 5.7098 5.7845 PRESSURE: 481800 35.1155 -172.942 132.593 -172.941 52.3427 156.026 132.593 156.026 -287.516 GPRESSURE: 481800 44.6699 -159.767 108.869 -152.485 130.592 194.773 145.354 47.3545 -285.651 PRESSAVG: 481800 48.4193 69.3434 -44.2756 69.3433 -55.1807 -26.7311 -44.2756 -26.731 24.1704 GPRESSAVG: 481800 48.2927 68.0024 -44.8806 68.7537 -55.7952 -27.5411 -44.1222 -27.0459 25.1183 TIMING: 481800 CPU: 1436.14, 0.00294073/step Wall: 1436.14, 0.00294073/step, 3.69078 hours remaining, 206.734375 MB of memory in use. ENERGY: 481800 730.7330 2073.8769 1948.8346 112.4409 -206209.1452 17819.6172 0.0000 0.0000 34272.3110 -149251.3316 299.3086 -183523.6426 -149160.1209 299.6044 -66.6860 -36.7962 557695.5266 5.8030 5.8719 PRESSURE: 482000 247.67 -86.0399 -33.9559 -86.04 201.085 -57.091 -33.9553 -57.0922 241.452 GPRESSURE: 482000 280.201 -32.0297 -72.961 -88.9516 208.361 -43.5081 -96.7516 -30.487 307.038 PRESSAVG: 482000 -31.6579 -27.8963 -7.41854 -27.8962 -44.0965 -11.884 -7.41843 -11.8841 59.5364 GPRESSAVG: 482000 -31.3488 -25.8995 -7.46875 -27.97 -43.8045 -10.5708 -9.02081 -12.585 58.9968 TIMING: 482000 CPU: 1436.73, 0.00295346/step Wall: 1436.73, 0.00295346/step, 3.70659 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 482000 716.3871 2072.8015 1956.0175 120.5642 -206601.7463 18070.5427 0.0000 0.0000 34407.1494 -149258.2839 300.4862 -183665.4333 -149151.0568 299.3457 230.0692 265.1999 555044.6282 -5.4060 -5.3855 PRESSURE: 482200 312.436 -4.90311 91.5561 -4.90097 -9.65039 -22.0871 91.5575 -22.0864 -292.55 GPRESSURE: 482200 339.87 -27.804 24.0462 -19.995 14.3992 14.4764 145.775 -29.4541 -253.685 PRESSAVG: 482200 -46.5124 -13.6292 73.6915 -13.6291 40.1236 -44.2755 73.6914 -44.2756 -4.36798 GPRESSAVG: 482200 -46.7526 -15.6314 72.166 -11.9941 40.4841 -45.6363 77.1584 -41.9637 -4.72494 TIMING: 482200 CPU: 1437.32, 0.00293625/step Wall: 1437.32, 0.00293625/step, 3.68483 hours remaining, 206.734375 MB of memory in use. ENERGY: 482200 734.9778 2117.1934 1919.6343 104.9906 -206425.6913 17896.2575 0.0000 0.0000 34350.7472 -149301.8905 299.9936 -183652.6377 -149216.7786 299.6623 3.4118 33.5279 557718.5685 -3.5856 -3.6645 PRESSURE: 482400 -104.839 -157.473 31.662 -157.472 -125.313 -165.877 31.662 -165.879 5.10495 GPRESSURE: 482400 -38.8923 -99.3738 12.6058 -200.354 -147.29 -149.504 103.575 -81.7172 49.4644 PRESSAVG: 482400 -10.3331 -23.5919 44.4319 -23.5919 -12.4628 -42.4848 44.4319 -42.4848 -7.75063 GPRESSAVG: 482400 -10.321 -24.1311 44.9526 -24.3809 -13.1044 -40.8075 43.4089 -42.5583 -7.39222 TIMING: 482400 CPU: 1437.91, 0.00294247/step Wall: 1437.91, 0.00294247/step, 3.69247 hours remaining, 206.734375 MB of memory in use. ENERGY: 482400 764.4095 2072.9243 1932.8138 105.0833 -205832.6230 17641.7739 0.0000 0.0000 34261.3939 -149054.2243 299.2133 -183315.6182 -148961.8134 298.6622 -75.0157 -45.5725 558115.1727 -10.1822 -10.2725 PRESSURE: 482600 156.335 -33.6327 -7.87216 -33.6315 -105.075 -40.4599 -7.872 -40.4619 279.445 GPRESSURE: 482600 166.731 -31.6848 -12.2527 -53.9082 -76.3057 27.7799 10.4043 -71.0176 340.744 PRESSAVG: 482600 -57.3689 -27.9883 7.4634 -27.9883 -13.4762 -103.948 7.4633 -103.948 58.8774 GPRESSAVG: 482600 -57.0632 -27.5284 8.93424 -26.9722 -13.414 -104.117 5.22012 -103.993 58.9508 TIMING: 482600 CPU: 1438.5, 0.00297125/step Wall: 1438.5, 0.00297125/step, 3.72842 hours remaining, 206.734375 MB of memory in use. ENERGY: 482600 768.3703 2063.0933 1926.2204 112.9604 -206119.4401 17903.6910 0.0000 0.0000 34281.6649 -149063.4397 299.3903 -183345.1046 -148964.7720 299.6017 110.2349 143.7229 556825.7639 -3.9892 -3.8421 PRESSURE: 482800 116.845 -195.477 2.07094 -195.476 131.858 -145.775 2.07173 -145.774 154.297 GPRESSURE: 482800 148.493 -247.253 -61.2043 -206.06 186.97 -141.279 59.1223 -68.4735 167.27 PRESSAVG: 482800 -9.38509 -64.0385 -5.48869 -64.0385 -42.9808 -31.3152 -5.48876 -31.3152 47.4415 GPRESSAVG: 482800 -8.6072 -64.334 -7.06754 -64.7041 -43.0226 -32.2189 -4.19826 -31.0429 47.8045 TIMING: 482800 CPU: 1439.1, 0.00297436/step Wall: 1439.1, 0.00297436/step, 3.73217 hours remaining, 206.734375 MB of memory in use. ENERGY: 482800 721.1994 2029.7679 1922.4721 96.2045 -206547.8433 18050.8696 0.0000 0.0000 34340.5069 -149386.8230 299.9042 -183727.3299 -149283.3571 299.6067 134.3336 167.5777 556291.6984 -1.6415 -1.2751 PRESSURE: 483000 39.1733 6.54691 -60.4766 6.54723 -265.972 -180.07 -60.4757 -180.07 31.0737 GPRESSURE: 483000 67.5937 38.2989 -12.1699 -25.1785 -230.896 -165.116 -92.5887 -179.486 57.9419 PRESSAVG: 483000 -28.399 -23.2759 -34.3487 -23.2758 -57.5464 9.23151 -34.3486 9.23159 94.7713 GPRESSAVG: 483000 -27.8452 -22.2283 -33.9851 -23.7164 -57.8888 9.23383 -33.8133 9.43654 94.674 TIMING: 483000 CPU: 1439.69, 0.00295346/step Wall: 1439.69, 0.00295346/step, 3.70577 hours remaining, 206.734375 MB of memory in use. ENERGY: 483000 764.5836 2062.9864 1924.3350 103.5438 -206534.1310 17870.9526 0.0000 0.0000 34454.0323 -149353.6973 300.8956 -183807.7296 -149255.6802 299.5104 -65.2416 -35.1202 557731.5679 2.9419 2.9800 PRESSURE: 483200 -352.582 34.2478 -1.67824 34.2475 14.3269 91.2278 -1.67869 91.229 75.6492 GPRESSURE: 483200 -268.708 104.03 -25.6073 4.00519 -3.16343 25.368 -4.48421 160.443 113.101 PRESSAVG: 483200 26.5502 -15.3814 21.5544 -15.3813 -44.9011 24.2646 21.5542 24.2647 39.2312 GPRESSAVG: 483200 26.9083 -13.9464 23.0222 -15.1999 -45.9613 23.3083 19.109 24.4216 39.4923 TIMING: 483200 CPU: 1440.28, 0.00296419/step Wall: 1440.28, 0.00296419/step, 3.71908 hours remaining, 206.734375 MB of memory in use. ENERGY: 483200 765.9769 2052.2111 1926.8531 106.0950 -206249.9114 17768.3096 0.0000 0.0000 34381.8988 -149248.5669 300.2657 -183630.4657 -149152.3169 300.0405 -87.5352 -52.9234 557370.5816 6.9601 6.8131 PRESSURE: 483400 -166.07 -6.53188 -180.471 -6.53238 -43.2595 -109.188 -180.47 -109.188 -225.965 GPRESSURE: 483400 -128.357 75.2259 -263.411 -33.9538 -42.4219 -116.58 -112.61 -25.1609 -163.369 PRESSAVG: 483400 -4.09905 -19.3941 17.1688 -19.3941 -43.2401 3.03245 17.1688 3.03242 20.8978 GPRESSAVG: 483400 -5.15212 -19.6706 15.435 -20.1331 -41.6828 5.96348 20.0659 1.45625 20.109 TIMING: 483400 CPU: 1440.87, 0.00294615/step Wall: 1440.87, 0.00294615/step, 3.69627 hours remaining, 206.734375 MB of memory in use. ENERGY: 483400 755.5072 2077.3833 1935.8795 103.3363 -206178.1514 17823.3212 0.0000 0.0000 34316.5888 -149166.1352 299.6953 -183482.7239 -149068.5058 299.6154 -145.0983 -111.3826 558293.4387 -8.8138 -8.9087 PRESSURE: 483600 67.369 -90.5614 156.134 -90.5626 -3.83388 146.823 156.134 146.823 74.6738 GPRESSURE: 483600 96.3416 -97.5643 183.771 -136.827 55.7713 106.61 204.698 111.36 77.9 PRESSAVG: 483600 -12.6337 -19.7341 -9.05003 -19.7341 78.152 21.5958 -9.0501 21.5958 -0.392565 GPRESSAVG: 483600 -13.9476 -19.3874 -7.86346 -20.2958 79.8603 18.8508 -10.0047 21.5323 -0.700781 TIMING: 483600 CPU: 1441.46, 0.0029507/step Wall: 1441.46, 0.0029507/step, 3.70182 hours remaining, 206.734375 MB of memory in use. ENERGY: 483600 725.7023 2039.9717 1955.1733 124.4480 -206128.4774 17726.9647 0.0000 0.0000 34418.3746 -149137.8428 300.5842 -183556.2174 -149045.1284 299.9501 46.0697 76.6710 556843.0743 21.7086 21.7373 PRESSURE: 483800 24.9267 152.33 -123.979 152.331 52.5557 55.814 -123.982 55.8132 173.832 GPRESSURE: 483800 84.6593 173.608 -126.358 111.097 70.5706 12.3632 -83.2436 -13.624 184.792 PRESSAVG: 483800 13.2016 -41.1561 -65.1129 -41.1561 -31.0385 5.75179 -65.113 5.75185 6.33996 GPRESSAVG: 483800 14.0736 -41.6568 -65.0087 -40.0441 -31.7827 5.81773 -65.8938 7.11369 5.67048 TIMING: 483800 CPU: 1442.05, 0.00294631/step Wall: 1442.05, 0.00294631/step, 3.69614 hours remaining, 206.734375 MB of memory in use. ENERGY: 483800 721.9036 2106.5075 1927.1549 106.9172 -206412.8316 17922.2363 0.0000 0.0000 34521.6344 -149106.4777 301.4860 -183628.1120 -149007.9843 299.3155 83.7716 113.3407 556826.0692 -3.8323 -4.0129 PRESSURE: 484000 63.3226 8.30486 -55.7577 8.3064 -50.6 -43.0079 -55.7578 -43.0082 -181.166 GPRESSURE: 484000 103.226 64.3104 14.7466 -35.7397 -5.86375 -12.651 -68.1065 -100.3 -163.735 PRESSAVG: 484000 48.2804 18.4589 -50.5133 18.4589 -13.0504 -13.6633 -50.5133 -13.6633 -18.4821 GPRESSAVG: 484000 49.5667 17.49 -51.5855 17.707 -14.8009 -11.054 -48.2622 -17.5693 -17.767 TIMING: 484000 CPU: 1442.64, 0.00295648/step Wall: 1442.64, 0.00295648/step, 3.70873 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 484000 716.1299 2018.1810 1944.4595 118.6796 -205753.5853 17484.0227 0.0000 0.0000 34459.2177 -149012.8950 300.9409 -183472.1127 -148920.0682 299.9751 -56.1479 -22.1241 556140.3351 5.5826 5.6663 PRESSURE: 484200 -215.927 12.9388 88.1195 12.9391 -331.037 -118.255 88.119 -118.254 -151.756 GPRESSURE: 484200 -161.677 -36.6249 61.8588 46.1229 -309.681 -132.453 114.898 -134.42 -129.413 PRESSAVG: 484200 36.4892 -0.314297 10.5668 -0.314289 22.6478 -2.06395 10.5668 -2.064 -53.7874 GPRESSAVG: 484200 34.5186 -0.375699 10.4366 0.270265 24.17 -4.29463 11.0366 1.67182 -53.6223 TIMING: 484200 CPU: 1443.23, 0.00294582/step Wall: 1443.23, 0.00294582/step, 3.6952 hours remaining, 206.734375 MB of memory in use. ENERGY: 484200 775.8039 2039.6993 1910.4529 111.4451 -205465.1841 17330.6926 0.0000 0.0000 34162.1058 -149134.9844 298.3462 -183297.0902 -149039.3551 299.7203 -232.9066 -200.2569 556653.7588 1.7832 1.6888 LDB: ============= START OF LOAD BALANCING ============== 1446.77 LDB: ============== END OF LOAD BALANCING =============== 1446.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1446.78 LDB: ============= START OF LOAD BALANCING ============== 1447.07 LDB: Largest compute 4796 load 0.028022 is 23.7% of average load 0.118080 LDB: Average compute 0.001745 is 1.5% of average load 0.118080 LDB: TIME 1447.07 LOAD: AVG 0.11808 MAX 0.202206 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.406 MB LDB: TIME 1447.07 LOAD: AVG 0.11808 MAX 0.202206 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.609 MB LDB: TIME 1447.07 LOAD: AVG 0.11808 MAX 0.202206 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1447.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1447.08 PRESSURE: 484400 24.0015 -62.0613 -49.7869 -62.0623 21.1378 78.5747 -49.7856 78.5731 188.259 GPRESSURE: 484400 99.2478 -96.6384 17.2098 80.084 46.474 -39.1833 -79.641 108.036 184.617 PRESSAVG: 484400 29.9835 53.3742 22.7483 53.3741 -7.33764 -21.8353 22.7483 -21.8354 -39.5635 GPRESSAVG: 484400 31.0908 54.2078 23.5753 53.5245 -7.31524 -20.4665 20.2574 -21.6188 -41.3042 TIMING: 484400 CPU: 1443.83, 0.0030006/step Wall: 1443.83, 0.0030006/step, 3.76375 hours remaining, 207.242188 MB of memory in use. ENERGY: 484400 746.4182 2094.3494 1928.8533 116.7665 -206294.2192 17771.0201 0.0000 0.0000 34526.5368 -149110.2750 301.5288 -183636.8117 -149014.9669 299.6487 77.7993 110.1131 555376.0500 -5.6392 -5.8429 PRESSURE: 484600 6.76664 -119.39 25.6829 -119.388 72.8898 108.202 25.6831 108.203 29.0393 GPRESSURE: 484600 7.08899 -192.238 44.4202 -57.3152 113.168 129.25 12.676 111.677 81.6366 PRESSAVG: 484600 32.9696 -67.1269 4.11046 -67.1269 -9.40277 -8.81871 4.11049 -8.81873 -30.0267 GPRESSAVG: 484600 32.0517 -68.4756 4.06203 -66.3009 -10.1142 -7.91516 4.50804 -9.82195 -28.3435 TIMING: 484600 CPU: 1444.42, 0.00293852/step Wall: 1444.42, 0.00293852/step, 3.68572 hours remaining, 207.312500 MB of memory in use. ENERGY: 484600 750.8714 2062.4507 1946.9539 123.8926 -205913.7172 17663.8648 0.0000 0.0000 34278.3119 -149087.3719 299.3610 -183365.6837 -148993.5555 299.9413 36.2319 67.2979 557211.0023 -2.1533 -2.1353 PRESSURE: 484800 142.375 7.00106 114.09 7.00117 111.158 16.9056 114.091 16.9052 -318.59 GPRESSURE: 484800 136.73 -35.6446 83.1424 -19.6539 107.318 48.161 182.475 34.4199 -220.255 PRESSAVG: 484800 35.1364 90.656 6.05147 90.6561 68.9843 -0.208182 6.05157 -0.208194 -131.537 GPRESSAVG: 484800 35.9125 91.909 5.26858 90.6518 68.3417 -0.534454 7.29597 -0.672627 -131.893 TIMING: 484800 CPU: 1445, 0.00294308/step Wall: 1445, 0.00294308/step, 3.69128 hours remaining, 207.312500 MB of memory in use. ENERGY: 484800 768.0694 2099.6078 1946.6104 109.6427 -206328.9053 17883.0347 0.0000 0.0000 34287.8386 -149234.1016 299.4442 -183521.9402 -149138.5287 299.4915 -21.6858 7.9311 557936.7812 -9.1387 -9.2129 PRESSURE: 485000 -261.943 -37.9288 -66.9799 -37.9283 -48.5455 208.29 -66.9793 208.288 -8.41451 GPRESSURE: 485000 -209.274 -34.2016 -95.2729 19.5692 -58.6749 134.956 -117.302 199.932 42.2789 PRESSAVG: 485000 46.5541 38.6617 14.9396 38.6617 18.7189 -3.34153 14.9396 -3.34142 -60.1681 GPRESSAVG: 485000 46.0139 39.7708 12.841 36.2015 19.2569 -5.23151 15.8609 -3.36795 -60.4559 TIMING: 485000 CPU: 1445.59, 0.00293385/step Wall: 1445.59, 0.00293385/step, 3.67954 hours remaining, 207.312500 MB of memory in use. ENERGY: 485000 763.3803 2062.7262 1930.1711 117.0025 -206046.9503 17778.9939 0.0000 0.0000 34370.8070 -149023.8692 300.1688 -183394.6763 -148927.0833 299.6916 -106.3009 -75.2232 557040.9232 1.7017 1.6050 PRESSURE: 485200 36.7032 33.8342 55.6978 33.8354 332.561 33.0685 55.698 33.0677 268.415 GPRESSURE: 485200 74.5306 42.3278 86.0901 22.6919 373.867 22.885 1.08379 22.2638 281.05 PRESSAVG: 485200 18.1609 -13.6244 9.20557 -13.6244 -17.8617 1.35857 9.20555 1.35862 -2.00321 GPRESSAVG: 485200 16.8547 -14.3145 10.4196 -12.7014 -16.3223 4.17572 8.51282 0.456938 -2.22454 TIMING: 485200 CPU: 1446.19, 0.00297414/step Wall: 1446.19, 0.00297414/step, 3.7299 hours remaining, 207.312500 MB of memory in use. ENERGY: 485200 712.2650 2056.6696 1936.3179 124.9754 -206045.0477 18024.1836 0.0000 0.0000 34247.2093 -148943.4269 299.0894 -183190.6362 -148851.0237 300.3644 212.5597 243.1492 556932.2065 -0.5680 -0.5640 PRESSURE: 485400 8.99912 -60.0685 -50.0619 -60.0688 -111.699 -51.7196 -50.0593 -51.7203 98.2542 GPRESSURE: 485400 26.1783 3.14793 23.4276 -98.8002 -85.4905 0.0704645 -20.6227 -169.082 167.476 PRESSAVG: 485400 -46.9615 5.3554 -11.2226 5.35537 36.2251 53.9488 -11.2225 53.9488 19.1189 GPRESSAVG: 485400 -46.0249 4.45464 -11.9333 5.40714 34.9533 52.6476 -12.2695 56.4346 19.3723 TIMING: 485400 CPU: 1446.78, 0.00296106/step Wall: 1446.78, 0.00296106/step, 3.71333 hours remaining, 207.312500 MB of memory in use. ENERGY: 485400 733.6316 2105.6333 1912.8349 115.7539 -206022.7027 17788.4879 0.0000 0.0000 34427.7570 -148938.6040 300.6662 -183366.3610 -148846.5358 300.2610 -1.4818 36.0547 557586.6963 2.7942 2.7669 PRESSURE: 485600 -67.2841 140.52 -53.3362 140.521 25.8507 -98.461 -53.3349 -98.4602 -123.363 GPRESSURE: 485600 -78.8146 133.499 -73.4843 17.2042 104.685 -43.4954 -28.1012 -106.886 -96.4582 PRESSAVG: 485600 21.5682 11.4254 -16.1818 11.4254 -12.5866 -39.5399 -16.1819 -39.5398 14.313 GPRESSAVG: 485600 22.0023 14.7316 -15.5581 10.4948 -12.0463 -40.0928 -15.4139 -41.5431 13.394 TIMING: 485600 CPU: 1447.37, 0.00297117/step Wall: 1447.37, 0.00297117/step, 3.72584 hours remaining, 207.312500 MB of memory in use. ENERGY: 485600 770.0897 2086.4454 1939.6953 105.3519 -205954.0357 17775.3912 0.0000 0.0000 34310.6045 -148966.4578 299.6430 -183277.0623 -148865.1882 299.7981 -54.9323 -23.5291 558303.1117 7.7649 7.7833 PRESSURE: 485800 45.3072 -13.4998 219.764 -13.5009 382.58 -88.2883 219.765 -88.289 139.547 GPRESSURE: 485800 79.7992 -20.2313 246.443 -42.3987 359.986 -46.6099 68.0046 28.1258 220.152 PRESSAVG: 485800 55.5049 15.847 8.93153 15.847 -50.6029 -66.6958 8.93154 -66.6957 14.4929 GPRESSAVG: 485800 56.6213 13.5466 9.53165 15.5034 -51.3605 -66.3572 7.53111 -65.2656 14.9497 TIMING: 485800 CPU: 1447.97, 0.00296426/step Wall: 1447.97, 0.00296426/step, 3.71702 hours remaining, 207.312500 MB of memory in use. ENERGY: 485800 729.5133 2087.7612 1916.6283 108.7847 -206063.6058 17963.9481 0.0000 0.0000 34255.1796 -149001.7906 299.1590 -183256.9702 -148905.1456 299.9334 189.1446 219.9790 556726.3697 6.4650 6.7368 PRESSURE: 486000 -109.494 71.2874 -208.131 71.2883 -0.472419 232.385 -208.131 232.385 -144.004 GPRESSURE: 486000 -114.542 135.403 -249.761 -51.2679 92.3073 177.981 -185.167 193.48 -141.899 PRESSAVG: 486000 0.404044 21.2746 -6.79184 21.2746 -14.028 47.8593 -6.79192 47.8594 18.6705 GPRESSAVG: 486000 0.590996 21.0056 -6.04215 20.858 -13.0794 47.7622 -7.07588 46.2145 17.9135 TIMING: 486000 CPU: 1448.56, 0.00296173/step Wall: 1448.56, 0.00296173/step, 3.71368 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 486000 754.5301 2065.1240 1933.6829 119.4427 -205748.1501 17625.6605 0.0000 0.0000 34409.9768 -148839.7330 300.5109 -183249.7099 -148735.0443 300.1030 -84.6571 -54.7112 557534.4176 1.6822 1.8083 PRESSURE: 486200 -334.372 -96.8587 19.5849 -96.8604 -99.1912 142.454 19.5837 142.455 195.805 GPRESSURE: 486200 -303.058 -81.8739 19.8541 -140.815 -52.187 214.13 9.90496 109.671 207.193 PRESSAVG: 486200 49.0297 -12.9865 22.3693 -12.9866 -13.6875 12.5367 22.3693 12.5367 -24.6208 GPRESSAVG: 486200 47.8139 -12.0434 22.2812 -12.6731 -13.4869 12.9732 24.8389 12.7102 -23.8794 TIMING: 486200 CPU: 1449.15, 0.00298547/step Wall: 1449.15, 0.00298547/step, 3.74328 hours remaining, 207.312500 MB of memory in use. ENERGY: 486200 774.6003 2001.7630 1953.3714 111.8413 -205880.0035 17734.8776 0.0000 0.0000 34389.5655 -148913.9843 300.3326 -183303.5498 -148814.9731 300.1401 -79.2529 -49.3505 557514.6418 3.5738 3.4825 PRESSURE: 486400 79.3337 82.8815 101.689 82.8799 -52.7481 84.9222 101.689 84.9217 -112.001 GPRESSURE: 486400 163.443 21.2358 129.845 168.443 -85.3153 189.617 -37.6593 -32.8005 -60.2797 PRESSAVG: 486400 30.2768 -22.4279 49.1421 -22.4279 1.86925 14.0971 49.1422 14.0971 9.5355 GPRESSAVG: 486400 30.4339 -22.4582 47.9999 -20.5762 1.47573 13.0222 48.4173 15.5731 9.71791 TIMING: 486400 CPU: 1449.75, 0.00299618/step Wall: 1449.75, 0.00299618/step, 3.75655 hours remaining, 207.312500 MB of memory in use. ENERGY: 486400 742.9780 2059.1787 1939.4192 120.0144 -206268.8498 17785.9296 0.0000 0.0000 34631.1941 -148990.1358 302.4428 -183621.3299 -148890.6014 299.7441 -28.4718 5.9494 557858.7016 13.8938 13.8759 PRESSURE: 486600 117.452 -18.9695 -115.744 -18.9705 -0.526952 25.262 -115.744 25.2612 -448.287 GPRESSURE: 486600 135.418 -11.6674 -119.52 -39.1083 49.5885 41.3283 -65.3459 -31.6168 -435.428 PRESSAVG: 486600 -8.08473 1.76599 -70.2609 1.76601 -26.0434 2.04074 -70.2608 2.04066 -31.4242 GPRESSAVG: 486600 -7.57117 1.86591 -70.0659 0.15408 -26.2733 -0.313703 -70.3164 3.85589 -31.5594 TIMING: 486600 CPU: 1450.35, 0.00297852/step Wall: 1450.35, 0.00297852/step, 3.73423 hours remaining, 207.312500 MB of memory in use. ENERGY: 486600 759.4813 2084.4201 1914.7185 103.1801 -205884.1183 17693.7089 0.0000 0.0000 34289.6701 -149038.9394 299.4602 -183328.6095 -148949.6213 299.5132 -110.4540 -83.4739 557845.9669 -21.8508 -21.8013 PRESSURE: 486800 -225.201 14.6073 19.0951 14.6073 -225.402 101.627 19.0954 101.628 -213.215 GPRESSURE: 486800 -183.882 84.2094 37.3063 36.4053 -241.567 144.434 -21.3451 26.081 -146.905 PRESSAVG: 486800 -71.8038 23.4957 16.2307 23.4956 114.65 28.997 16.2307 28.9969 -12.1526 GPRESSAVG: 486800 -72.285 24.0226 16.6929 24.1661 114.881 33.7302 14.8313 27.6756 -11.6214 TIMING: 486800 CPU: 1450.94, 0.0029594/step Wall: 1450.94, 0.0029594/step, 3.71011 hours remaining, 207.312500 MB of memory in use. ENERGY: 486800 769.3176 2122.0166 1919.2251 121.5340 -205525.6722 17461.0165 0.0000 0.0000 34249.2378 -148883.3247 299.1071 -183132.5625 -148782.0476 299.9916 -221.2730 -190.7846 558827.7233 10.2311 10.3247 PRESSURE: 487000 407.455 52.0762 99.8749 52.0769 -114.973 13.4462 99.8764 13.4453 -120.377 GPRESSURE: 487000 374.623 111.946 88.5637 -14.1625 -66.9472 15.4958 70.5888 -121.147 -53.3312 PRESSAVG: 487000 10.7697 -60.7061 -34.8181 -60.7062 -26.4385 -5.80306 -34.8181 -5.8031 15.5225 GPRESSAVG: 487000 10.4495 -62.454 -37.2044 -60.0878 -26.3296 -8.7201 -33.6499 -8.30429 16.0547 TIMING: 487000 CPU: 1451.53, 0.00296293/step Wall: 1451.53, 0.00296293/step, 3.71436 hours remaining, 207.312500 MB of memory in use. ENERGY: 487000 736.5593 2026.4745 1964.2774 111.6057 -206137.0771 17905.0655 0.0000 0.0000 34316.9482 -149076.1465 299.6984 -183393.0946 -148979.8391 300.1724 57.3682 84.7814 559011.5236 -0.0488 0.0582 PRESSURE: 487200 -5.44699 35.8826 118.617 35.8824 315.753 63.8658 118.618 63.8656 51.1174 GPRESSURE: 487200 -49.4307 -141.631 82.4107 117.893 434.511 -14.852 91.6951 137.603 54.4499 PRESSAVG: 487200 -25.5481 -18.8162 -8.26944 -18.8162 39.9141 45.78 -8.26939 45.7799 -1.82496 GPRESSAVG: 487200 -24.3961 -15.4831 -6.64835 -20.2413 39.2034 45.9409 -9.30128 48.646 -2.31161 TIMING: 487200 CPU: 1452.13, 0.00299794/step Wall: 1452.13, 0.00299794/step, 3.75809 hours remaining, 207.312500 MB of memory in use. ENERGY: 487200 731.5480 2096.8718 1944.9196 123.1688 -206025.0509 17864.1562 0.0000 0.0000 34173.5104 -149090.8761 298.4458 -183264.3865 -148993.1386 299.6462 120.4746 146.5099 557367.4497 4.1804 4.1652 PRESSURE: 487400 -258.561 -82.8202 -46.134 -82.8196 63.1315 26.2647 -46.1328 26.2655 -20.2861 GPRESSURE: 487400 -225.05 -140.955 -74.2638 -15.513 114.658 71.0759 -85.337 26.6193 -16.0386 PRESSAVG: 487400 -77.6576 45.2583 -63.2437 45.2583 38.0524 27.6828 -63.2438 27.6829 44.9108 GPRESSAVG: 487400 -78.5649 42.9893 -63.8876 47.331 38.6356 26.152 -62.9014 28.1767 44.9806 TIMING: 487400 CPU: 1452.73, 0.00297493/step Wall: 1452.73, 0.00297493/step, 3.72907 hours remaining, 207.312500 MB of memory in use. ENERGY: 487400 728.4500 2066.4650 1914.9820 103.1097 -205942.6724 17625.1865 0.0000 0.0000 34315.8765 -149188.6027 299.6891 -183504.4792 -149091.5510 299.7453 -71.9053 -42.1435 558152.4733 1.7685 1.6837 PRESSURE: 487600 -289.323 -42.8021 -15.0814 -42.8023 -126.318 48.8001 -15.0796 48.8037 -54.6045 GPRESSURE: 487600 -244.487 -48.3765 -66.9357 2.92746 -102.59 88.7813 40.3902 87.8385 -24.1946 PRESSAVG: 487600 -22.7023 -7.85856 7.79264 -7.85867 29.4805 18.1769 7.79264 18.177 15.5967 GPRESSAVG: 487600 -22.8217 -7.47647 7.69603 -7.26321 28.7258 18.4014 7.30854 18.361 16.1943 TIMING: 487600 CPU: 1453.32, 0.00297117/step Wall: 1453.32, 0.00297117/step, 3.7242 hours remaining, 207.312500 MB of memory in use. ENERGY: 487600 730.7506 2064.1711 1949.4083 118.9535 -205752.4885 17530.7803 0.0000 0.0000 34347.8016 -149010.6232 299.9679 -183358.4247 -148916.8171 300.1085 -156.7482 -123.7574 557005.3069 7.4583 7.3662 PRESSURE: 487800 -151.11 -2.50574 -11.9072 -2.50602 -75.152 43.9191 -11.9087 43.9207 -123.953 GPRESSURE: 487800 -122.651 -33.3983 -14.0073 57.0888 -23.2324 49.2989 -8.01634 24.2888 -107.431 PRESSAVG: 487800 9.40829 21.682 24.2632 21.682 9.33401 41.6413 24.2632 41.6413 -9.4789 GPRESSAVG: 487800 11.0214 21.8247 22.4129 20.5285 9.98187 43.1394 26.7465 38.6296 -11.3794 TIMING: 487800 CPU: 1453.91, 0.00293928/step Wall: 1453.91, 0.00293928/step, 3.68406 hours remaining, 207.312500 MB of memory in use. ENERGY: 487800 713.3826 2035.0412 1953.8723 105.6833 -206036.6949 17636.9936 0.0000 0.0000 34442.2144 -149149.5075 300.7924 -183591.7219 -149041.9246 300.6133 -116.7385 -84.4384 557050.9143 3.0878 3.2080 PRESSURE: 488000 -134.755 69.4942 267.169 69.4949 -119.227 -50.7261 267.169 -50.7249 -55.09 GPRESSURE: 488000 -105.895 123.907 256.237 3.94087 -72.5563 -79.6422 167.612 -12.4205 -41.4409 PRESSAVG: 488000 19.1601 52.0407 33.25 52.0407 35.6597 41.3037 33.25 41.3037 -18.3478 GPRESSAVG: 488000 17.4556 50.1197 36.9019 52.8087 36.4788 42.7458 29.6597 41.9997 -18.2682 TIMING: 488000 CPU: 1454.5, 0.00295921/step Wall: 1454.5, 0.00295921/step, 3.70888 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 488000 775.7239 2083.4262 1934.0988 111.9516 -206146.3399 17824.0354 0.0000 0.0000 34236.3697 -149180.7343 298.9947 -183417.1040 -149082.4090 299.6717 -103.0240 -73.2974 558697.1204 12.1573 11.8888 PRESSURE: 488200 -237.347 -28.1334 44.116 -28.1338 -74.4995 46.2494 44.116 46.2491 -274.871 GPRESSURE: 488200 -199.153 -33.6425 68.3923 -79.9522 -73.5702 53.8776 33.6649 102.203 -214.708 PRESSAVG: 488200 0.0837093 27.2471 44.6772 27.2471 12.8336 42.0493 44.6772 42.0492 10.3509 GPRESSAVG: 488200 0.999662 28.5451 43.5136 28.2591 12.5454 39.9579 44.8386 44.5733 10.0671 TIMING: 488200 CPU: 1455.09, 0.00293914/step Wall: 1455.09, 0.00293914/step, 3.68356 hours remaining, 207.312500 MB of memory in use. ENERGY: 488200 743.3116 1968.4305 1954.4887 113.7595 -205496.0833 17329.4683 0.0000 0.0000 34216.9574 -149169.6673 298.8252 -183386.6247 -149071.2918 299.3525 -195.5724 -162.4771 557653.2197 7.7561 7.8707 LDB: ============= START OF LOAD BALANCING ============== 1458.64 LDB: ============== END OF LOAD BALANCING =============== 1458.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1458.64 LDB: ============= START OF LOAD BALANCING ============== 1458.94 LDB: Largest compute 4796 load 0.027867 is 23.6% of average load 0.118031 LDB: Average compute 0.001751 is 1.5% of average load 0.118031 LDB: TIME 1458.94 LOAD: AVG 0.118031 MAX 0.205512 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.754 MB LDB: TIME 1458.94 LOAD: AVG 0.118031 MAX 0.205512 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.816 MB LDB: TIME 1458.94 LOAD: AVG 0.118031 MAX 0.205512 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.816 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1458.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1458.94 PRESSURE: 488400 99.9725 -164.787 156.346 -164.787 200.046 70.4178 156.346 70.4192 28.7108 GPRESSURE: 488400 148.42 -94.4918 86.3199 -233.162 183.542 45.0877 168.787 -5.05497 80.8507 PRESSAVG: 488400 72.9036 -46.9865 1.64079 -46.9865 24.0081 35.9203 1.64071 35.9202 -35.8214 GPRESSAVG: 488400 72.4811 -47.0231 3.01336 -47.8951 24.6538 36.2792 2.78716 34.6081 -36.5336 TIMING: 488400 CPU: 1455.69, 0.00301975/step Wall: 1455.69, 0.00301975/step, 3.78442 hours remaining, 206.472656 MB of memory in use. ENERGY: 488400 712.0088 2089.0997 1949.1242 127.3771 -206374.9215 17960.6605 0.0000 0.0000 34367.9654 -149168.6859 300.1440 -183536.6513 -149074.9509 299.5867 109.5766 137.6043 557647.5360 20.3634 20.2004 PRESSURE: 488600 -117.053 42.5351 -113.058 42.5339 -38.055 -19.556 -113.057 -19.5572 -72.4628 GPRESSURE: 488600 -54.8264 15.6762 -70.4838 44.4215 5.72515 16.0057 -91.6418 -1.74261 -102.667 PRESSAVG: 488600 -3.97524 -8.87709 21.5044 -8.87705 48.7153 -57.0805 21.5044 -57.0805 -39.7024 GPRESSAVG: 488600 -3.33042 -8.37004 19.2511 -9.8212 47.7892 -56.6018 20.6638 -55.6917 -39.7172 TIMING: 488600 CPU: 1456.3, 0.00301441/step Wall: 1456.3, 0.00301441/step, 3.77756 hours remaining, 206.472656 MB of memory in use. ENERGY: 488600 727.7691 2048.2098 1942.8246 118.6792 -205693.7278 17500.4353 0.0000 0.0000 34121.1990 -149234.6107 297.9889 -183355.8098 -149136.3537 299.5230 -75.8570 -50.5894 557233.6261 1.6792 1.5805 PRESSURE: 488800 67.3001 -202.799 120.381 -202.798 177.122 149.608 120.382 149.608 -125.501 GPRESSURE: 488800 150.833 -172.007 90.7174 -232.302 183.39 136.386 145.609 147.128 -118.725 PRESSAVG: 488800 76.8878 34.2277 -40.8108 34.2277 -58.4526 26.3165 -40.8108 26.3165 -42.6056 GPRESSAVG: 488800 76.9993 34.4942 -40.8216 33.3864 -59.0051 26.7103 -42.8064 25.6581 -42.1289 TIMING: 488800 CPU: 1456.89, 0.00295438/step Wall: 1456.89, 0.00295438/step, 3.70217 hours remaining, 206.472656 MB of memory in use. ENERGY: 488800 750.6641 1973.8123 1931.9804 118.6139 -205957.7175 17829.0568 0.0000 0.0000 34140.1505 -149213.4395 298.1544 -183353.5900 -149109.7406 298.8873 39.6403 71.8325 558266.3289 -8.0568 -8.0449 PRESSURE: 489000 106.048 131.549 200.831 131.548 263.169 11.9105 200.831 11.9096 -23.7679 GPRESSURE: 489000 131.935 90.5294 222.225 135.113 276.352 -51.7775 181.608 33.5106 34.1973 PRESSAVG: 489000 27.6027 8.05058 30.2863 8.05052 9.72165 -33.0419 30.2863 -33.0418 -43.0935 GPRESSAVG: 489000 26.6363 7.17043 31.1934 7.49041 11.6954 -34.3009 31.8684 -33.1587 -44.6241 TIMING: 489000 CPU: 1457.48, 0.00297994/step Wall: 1457.48, 0.00297994/step, 3.73403 hours remaining, 206.472656 MB of memory in use. ENERGY: 489000 732.9989 2070.7653 1914.9166 121.7933 -206326.0142 17986.2999 0.0000 0.0000 34268.9984 -149230.2419 299.2797 -183499.2403 -149137.5393 299.1555 115.1497 147.4949 557188.3929 -1.9230 -2.0975 PRESSURE: 489200 191.503 -154.128 80.6019 -154.128 -179.736 76.2955 80.6013 76.2959 -39.7352 GPRESSURE: 489200 178.125 -32.696 11.0443 -188.161 -130.684 98.8628 162.682 27.3075 21.5116 PRESSAVG: 489200 0.858025 17.2949 13.4084 17.295 -40.2594 4.45355 13.4084 4.45357 48.7004 GPRESSAVG: 489200 0.0460993 18.5152 11.9334 18.9255 -40.7059 4.88861 13.7934 4.3617 49.9851 TIMING: 489200 CPU: 1458.08, 0.0029637/step Wall: 1458.08, 0.0029637/step, 3.71351 hours remaining, 206.472656 MB of memory in use. ENERGY: 489200 748.8072 2073.2300 1945.5180 120.9009 -206148.3029 17743.5784 0.0000 0.0000 34299.8330 -149216.4352 299.5490 -183516.2682 -149126.2502 299.1208 -9.3228 22.9842 557078.8317 3.0997 3.1084 PRESSURE: 489400 62.257 24.0954 -2.21734 24.0943 162.466 -100.29 -2.21693 -100.29 -89.0356 GPRESSURE: 489400 75.6279 -11.2397 -7.51584 32.8071 200.319 -81.5522 -51.6784 -97.71 -43.1732 PRESSAVG: 489400 3.62307 25.3425 27.7187 25.3424 -39.3056 -22.9997 27.7188 -22.9998 75.2358 GPRESSAVG: 489400 4.31528 24.55 28.2094 27.0538 -38.6262 -22.0367 26.3485 -24.6471 73.9531 TIMING: 489400 CPU: 1458.67, 0.00296019/step Wall: 1458.67, 0.00296019/step, 3.70895 hours remaining, 206.472656 MB of memory in use. ENERGY: 489400 747.8370 2060.3483 1924.3058 113.2227 -206082.6463 17763.5214 0.0000 0.0000 34322.8889 -149150.5222 299.7503 -183473.4111 -149055.6368 299.6708 45.2290 77.5911 555434.2444 13.1844 13.2141 PRESSURE: 489600 -209.811 -103.886 5.09328 -103.885 -75.4367 -21.8585 5.09297 -21.8569 -193.398 GPRESSURE: 489600 -111.97 -44.7738 21.0787 -111.376 -77.5927 -54.4545 -31.181 -49.6485 -182.304 PRESSAVG: 489600 26.6772 51.0811 24.7232 51.0812 -10.1566 -35.7471 24.7232 -35.7471 -22.6962 GPRESSAVG: 489600 26.5791 49.3608 24.6765 52.0748 -10.627 -37.3406 25.1746 -34.8464 -22.0337 TIMING: 489600 CPU: 1459.26, 0.0029382/step Wall: 1459.26, 0.0029382/step, 3.68124 hours remaining, 206.472656 MB of memory in use. ENERGY: 489600 766.8260 2047.3210 1926.0802 116.9844 -205822.3810 17444.3999 0.0000 0.0000 34304.1636 -149216.6060 299.5868 -183520.7695 -149125.4271 299.5223 -159.5488 -123.9556 555394.4753 -2.0585 -2.0272 PRESSURE: 489800 -162.523 -22.3962 -3.45696 -22.3944 -145.83 -7.97327 -3.45644 -7.97411 -116.386 GPRESSURE: 489800 -103.297 -122.476 102.351 24.2887 -124.751 -18.694 -69.6478 97.895 -134.146 PRESSAVG: 489800 -1.221 -25.0214 14.6786 -25.0215 -54.7133 -11.5643 14.6787 -11.5643 93.6507 GPRESSAVG: 489800 -0.675914 -22.9055 17.5489 -26.1918 -56.3096 -10.8866 13.2741 -13.0045 94.6378 TIMING: 489800 CPU: 1459.84, 0.00293668/step Wall: 1459.84, 0.00293668/step, 3.67917 hours remaining, 206.472656 MB of memory in use. ENERGY: 489800 730.5091 2087.6550 1923.8478 116.1335 -205767.6016 17370.7299 0.0000 0.0000 34519.2390 -149019.4874 301.4651 -183538.7264 -148923.5000 300.4503 -141.5795 -120.7312 556278.2743 12.5721 12.5507 PRESSURE: 490000 -23.609 -3.98785 110.074 -3.98804 -13.8112 68.763 110.073 68.7646 -48.9272 GPRESSURE: 490000 -6.98852 61.2928 -54.6896 -31.3728 38.1791 52.1249 217.657 36.1553 -22.1631 PRESSAVG: 490000 40.95 22.9912 10.7731 22.9911 9.59981 -20.1219 10.7732 -20.1218 -24.5539 GPRESSAVG: 490000 41.2833 24.0423 8.20308 19.9949 10.0509 -20.7466 12.6783 -19.2355 -24.9909 TIMING: 490000 CPU: 1460.43, 0.00295261/step Wall: 1460.43, 0.00295261/step, 3.69897 hours remaining, 206.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 490000 745.5542 2079.9780 1968.9160 106.6062 -206152.4349 17720.4474 0.0000 0.0000 34473.1227 -149057.8103 301.0624 -183530.9331 -148961.6350 300.4642 -28.7825 3.0092 556331.0668 8.6653 8.7811 PRESSURE: 490200 111.37 20.4652 -51.5648 20.4659 136.426 -91.4204 -51.566 -91.4191 -44.004 GPRESSURE: 490200 89.4759 60.1211 -101.855 81.5808 206.053 -116.52 41.5213 -23.9152 3.53721 PRESSAVG: 490200 36.1871 15.936 0.358329 15.9361 -24.5403 39.0404 0.358276 39.0404 -13.9444 GPRESSAVG: 490200 36.2433 15.3178 0.199486 17.6801 -24.6566 40.9611 -0.232715 39.1618 -13.9614 TIMING: 490200 CPU: 1461.03, 0.00295396/step Wall: 1461.03, 0.00295396/step, 3.70049 hours remaining, 206.472656 MB of memory in use. ENERGY: 490200 742.1876 2078.1860 1942.4399 127.8826 -206089.5271 17801.3658 0.0000 0.0000 34192.3273 -149205.1379 298.6101 -183397.4652 -149109.3687 300.1438 67.9305 99.6888 556245.1733 -0.7659 -0.7916 PRESSURE: 490400 -61.6308 -22.3528 168.378 -22.3524 -135.459 30.9426 168.378 30.9424 -109.917 GPRESSURE: 490400 -36.7196 6.92374 232.389 -81.8841 -115.719 80.9959 178.35 20.1697 -46.7843 PRESSAVG: 490400 -0.770583 -3.80646 17.6146 -3.8065 1.59061 -16.3786 17.6145 -16.3786 -12.6013 GPRESSAVG: 490400 -0.881304 -3.92496 18.2913 -4.2914 2.4467 -18.04 16.6947 -16.5574 -13.4799 TIMING: 490400 CPU: 1461.61, 0.00292733/step Wall: 1461.61, 0.00292733/step, 3.66697 hours remaining, 206.472656 MB of memory in use. ENERGY: 490400 734.2675 2135.0417 1928.2808 111.6609 -206070.8407 17627.7942 0.0000 0.0000 34318.9010 -149214.8946 299.7155 -183533.7956 -149117.4513 299.0757 -102.3356 -66.4076 557586.2993 -3.9271 -3.9715 PRESSURE: 490600 21.5045 62.6061 -168.87 62.6064 -221.874 227.474 -168.87 227.476 -6.16598 GPRESSURE: 490600 67.7602 65.3508 -184.212 29.0686 -129.265 206.742 -162.077 243.488 -43.218 PRESSAVG: 490600 28.2009 -38.8964 73.2668 -38.8964 -57.8146 9.82933 73.2668 9.82945 38.4887 GPRESSAVG: 490600 28.9908 -38.4991 72.853 -39.3005 -59.8684 9.95718 74.761 10.5341 39.6223 TIMING: 490600 CPU: 1462.2, 0.00295401/step Wall: 1462.2, 0.00295401/step, 3.70023 hours remaining, 206.472656 MB of memory in use. ENERGY: 490600 786.7503 2050.3874 1949.6673 115.6533 -205988.3688 17782.5118 0.0000 0.0000 34150.9617 -149152.4370 298.2488 -183303.3988 -149054.4065 299.1146 -68.8451 -34.9075 557194.1871 2.9583 2.9149 PRESSURE: 490800 -84.3657 -144.546 44.0306 -144.548 -178.817 63.8135 44.0313 63.8138 -160.576 GPRESSURE: 490800 -66.7256 -211.279 160.545 -145.577 -146.931 98.8313 16.9574 58.1603 -111.914 PRESSAVG: 490800 19.8899 12.0718 43.6523 12.0719 6.05968 36.7172 43.6524 36.7172 -1.5612 GPRESSAVG: 490800 18.732 10.3387 41.4375 13.8255 7.78136 37.5358 44.4066 35.7501 -1.86358 TIMING: 490800 CPU: 1462.79, 0.00296393/step Wall: 1462.79, 0.00296393/step, 3.71249 hours remaining, 206.472656 MB of memory in use. ENERGY: 490800 742.7676 2076.5855 1929.9226 121.3086 -206076.2580 17464.6630 0.0000 0.0000 34287.1277 -149453.8831 299.4380 -183741.0107 -149346.1300 298.8800 -141.2527 -108.5238 555776.3497 8.1294 8.2166 PRESSURE: 491000 358.554 30.1557 -89.8661 30.1564 253.759 65.4501 -89.8682 65.45 95.3904 GPRESSURE: 491000 338.992 53.1546 -144.626 -81.5865 331.075 87.9564 -95.1648 33.4172 127.182 PRESSAVG: 491000 67.5644 -7.90706 22.7934 -7.90705 -11.982 13.5759 22.7934 13.5759 -39.7605 GPRESSAVG: 491000 66.7309 -8.96323 23.3604 -9.25304 -12.0647 13.063 21.3784 13.2942 -39.1134 TIMING: 491000 CPU: 1463.38, 0.002951/step Wall: 1463.38, 0.00295099/step, 3.69612 hours remaining, 206.472656 MB of memory in use. ENERGY: 491000 796.2260 2056.5630 1928.7642 106.2254 -206794.1130 18304.6743 0.0000 0.0000 34244.3499 -149357.3104 299.0644 -183601.6603 -149267.6506 299.1038 235.9009 265.7500 556307.5618 5.2740 5.1843 PRESSURE: 491200 420.908 -60.0908 -127.56 -60.0904 7.967 -61.9603 -127.559 -61.9597 -168.533 GPRESSURE: 491200 435.823 -13.0274 -84.2251 -38.9333 52.1599 -47.4164 -174.184 -31.4028 -144.589 PRESSAVG: 491200 11.7536 -3.99289 -0.440164 -3.99288 12.8453 32.1199 -0.440139 32.1199 3.7239 GPRESSAVG: 491200 13.4536 -2.49333 -1.77477 -3.97603 11.9399 32.4783 1.8908 35.2956 2.8026 TIMING: 491200 CPU: 1463.97, 0.00294483/step Wall: 1463.97, 0.00294483/step, 3.68823 hours remaining, 206.472656 MB of memory in use. ENERGY: 491200 747.6073 2123.0287 1923.3477 113.0877 -206668.8272 18104.1204 0.0000 0.0000 34139.5735 -149518.0619 298.1494 -183657.6354 -149418.3368 299.4128 86.7806 114.4644 558140.3169 9.4410 9.3987 PRESSURE: 491400 10.9607 103.216 -109.568 103.217 -6.75864 -61.1411 -109.568 -61.1429 -9.91865 GPRESSURE: 491400 83.6922 108.083 -118.701 103.029 -27.8776 -84.0929 -114.855 28.8596 30.7823 PRESSAVG: 491400 65.5592 36.5408 -40.4387 36.5408 -39.3606 43.6622 -40.4387 43.6622 5.59581 GPRESSAVG: 491400 65.9445 36.6842 -39.0603 36.7829 -40.5869 43.467 -40.3519 41.8627 6.51272 TIMING: 491400 CPU: 1464.56, 0.00294872/step Wall: 1464.56, 0.00294872/step, 3.69295 hours remaining, 206.472656 MB of memory in use. ENERGY: 491400 743.9005 2082.9950 1937.6978 111.4612 -206340.1223 17798.4865 0.0000 0.0000 34125.4789 -149540.1024 298.0263 -183665.5813 -149449.2404 298.1293 -1.9055 28.8656 557156.3133 10.5981 10.6235 PRESSURE: 491600 -117.558 -41.1383 -83.8609 -41.1375 -132.601 -60.8869 -83.8617 -60.888 48.3492 GPRESSURE: 491600 -145.476 -69.2186 -99.6026 -77.1229 -89.057 -101.435 -21.9364 -66.0504 124.836 PRESSAVG: 491600 3.3074 66.6087 -17.1797 66.6087 -17.4811 11.7592 -17.1796 11.7591 21.0776 GPRESSAVG: 491600 3.30585 66.7485 -16.1342 65.4016 -16.5184 12.2233 -18.0741 9.54475 20.2733 TIMING: 491600 CPU: 1465.15, 0.00294662/step Wall: 1465.15, 0.00294662/step, 3.69015 hours remaining, 206.472656 MB of memory in use. ENERGY: 491600 718.7179 2129.7361 1942.7795 117.0207 -206567.4492 17841.5296 0.0000 0.0000 34254.9086 -149562.7568 299.1566 -183817.6654 -149462.6365 297.7451 -67.2699 -36.5657 557229.0583 2.3013 2.3536 PRESSURE: 491800 39.483 -21.6854 -47.477 -21.6853 -357.137 -125.38 -47.4769 -125.381 13.0986 GPRESSURE: 491800 40.6753 -20.4704 -53.6129 9.08587 -323.817 -141.625 -82.6111 -105.498 78.1665 PRESSAVG: 491800 31.2196 -7.34178 -28.2997 -7.34188 -50.4062 -19.5067 -28.2997 -19.5068 19.9808 GPRESSAVG: 491800 30.1918 -7.56397 -29.3005 -4.83959 -50.2134 -22.1947 -29.0954 -16.3509 21 TIMING: 491800 CPU: 1465.75, 0.00297592/step Wall: 1465.75, 0.00297592/step, 3.72668 hours remaining, 206.472656 MB of memory in use. ENERGY: 491800 751.7102 2139.0875 1934.0103 109.2037 -206692.2657 17746.2934 0.0000 0.0000 34457.5673 -149554.3934 300.9265 -184011.9607 -149446.2565 298.2769 -101.5184 -68.3250 557356.3832 0.2647 0.3261 PRESSURE: 492000 86.5381 88.5019 -9.17113 88.5023 31.916 -24.9619 -9.16986 -24.9625 27.3723 GPRESSURE: 492000 95.0884 85.6091 -101.097 96.5829 121.539 -30.1287 2.40778 -0.0458452 28.9264 PRESSAVG: 492000 1.61093 3.08822 -30.9513 3.08815 24.9277 33.4631 -30.9513 33.4631 -4.52006 GPRESSAVG: 492000 3.17384 2.15669 -30.2447 1.41583 24.5698 36.8306 -30.9476 31.8372 -5.57908 TIMING: 492000 CPU: 1466.34, 0.00297885/step Wall: 1466.34, 0.00297885/step, 3.73018 hours remaining, 206.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 492000 763.5342 2081.9930 1923.9082 122.2482 -206475.5573 17842.5371 0.0000 0.0000 34251.0727 -149490.2639 299.1231 -183741.3367 -149398.0713 298.2103 48.6088 81.8512 555763.2975 7.3395 7.3882 PRESSURE: 492200 67.3636 -136.763 21.0329 -136.763 55.7749 15.1047 21.0325 15.1042 155.696 GPRESSURE: 492200 92.8631 -146.609 20.9032 -85.4713 49.8401 -67.0264 21.8284 71.3327 216.892 PRESSAVG: 492200 -35.8446 5.81129 -72.7336 5.8113 -20.4354 -23.8543 -72.7336 -23.8544 29.8276 GPRESSAVG: 492200 -36.7973 7.2047 -72.6768 6.1254 -19.3742 -25.7804 -73.8805 -23.3842 29.776 TIMING: 492200 CPU: 1466.94, 0.00300214/step Wall: 1466.94, 0.00300214/step, 3.75918 hours remaining, 206.472656 MB of memory in use. ENERGY: 492200 762.5780 2023.3177 1952.3229 108.1457 -206879.2032 17957.1286 0.0000 0.0000 34592.1819 -149483.5283 302.1021 -184075.7102 -149380.5498 298.9384 92.9447 119.8652 555210.0543 -8.8175 -8.7985 LDB: ============= START OF LOAD BALANCING ============== 1470.49 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1470.49 LDB: =============== DONE WITH MIGRATION ================ 1470.49 LDB: ============= START OF LOAD BALANCING ============== 1470.79 LDB: Largest compute 4796 load 0.027518 is 23.3% of average load 0.118091 LDB: Average compute 0.001753 is 1.5% of average load 0.118091 LDB: TIME 1470.79 LOAD: AVG 0.118091 MAX 0.203616 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 1470.79 LOAD: AVG 0.118091 MAX 0.203616 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 1470.79 LOAD: AVG 0.118091 MAX 0.203616 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1470.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1470.8 PRESSURE: 492400 -221.718 -23.0196 -129.69 -23.02 96.8045 -3.0588 -129.69 -3.0581 -193.017 GPRESSURE: 492400 -166.095 32.4046 -133.92 -31.5659 106.694 41.4516 -135.038 2.7192 -158.217 PRESSAVG: 492400 26.7188 -44.2152 -55.5863 -44.2151 37.7888 -31.337 -55.5864 -31.337 -17.9419 GPRESSAVG: 492400 27.6013 -44.8168 -56.5138 -43.7305 36.5847 -29.3087 -54.6435 -33.9328 -17.9219 TIMING: 492400 CPU: 1467.55, 0.00303372/step Wall: 1467.55, 0.00303372/step, 3.79855 hours remaining, 206.605469 MB of memory in use. ENERGY: 492400 763.4716 2069.2870 1957.1916 117.2419 -206608.0843 17914.9281 0.0000 0.0000 34217.1316 -149568.8324 298.8267 -183785.9640 -149473.2448 299.4460 -105.9768 -72.5394 557262.8731 15.5219 15.4214 PRESSURE: 492600 -142.585 98.1 -183.63 98.1015 31.6565 -28.7158 -183.631 -28.7141 132.591 GPRESSURE: 492600 -150.508 130.771 -131.818 44.9758 105.043 -18.196 -244.643 45.4711 169.654 PRESSAVG: 492600 49.4553 -23.8161 -28.2754 -23.8161 -73.2761 -41.888 -28.2754 -41.8879 19.1939 GPRESSAVG: 492600 47.9154 -23.4273 -27.668 -24.4923 -72.9313 -41.9341 -27.4171 -41.4952 21.1697 TIMING: 492600 CPU: 1468.14, 0.00296902/step Wall: 1468.14, 0.00296902/step, 3.71738 hours remaining, 206.605469 MB of memory in use. ENERGY: 492600 738.3366 2055.9887 1960.6551 105.1023 -206645.5522 17873.3391 0.0000 0.0000 34360.9974 -149551.1329 300.0831 -183912.1303 -149449.4107 299.0251 7.2207 41.3962 558273.8487 -1.5423 -1.2821 PRESSURE: 492800 6.56496 54.9232 29.8285 54.9216 1.82122 97.5709 29.8274 97.5725 83.1017 GPRESSURE: 492800 82.666 58.5706 -57.6088 87.8986 -3.9069 26.6735 -4.52256 75.7202 109.644 PRESSAVG: 492800 -39.983 -32.7179 3.88191 -32.718 26.3748 27.2208 3.88191 27.2209 -7.5576 GPRESSAVG: 492800 -39.5213 -34.3794 2.75767 -31.6394 26.1287 27.6732 3.67064 25.5411 -8.26303 TIMING: 492800 CPU: 1468.73, 0.00294873/step Wall: 1468.73, 0.00294873/step, 3.69181 hours remaining, 206.605469 MB of memory in use. ENERGY: 492800 686.8333 2116.3782 1959.7998 101.1888 -206214.6647 17920.1323 0.0000 0.0000 33955.1066 -149475.2257 296.5384 -183430.3323 -149374.5536 298.3100 30.4960 62.8011 558735.5119 -7.0553 -7.2185 PRESSURE: 493000 -93.5556 27.3454 -65.9961 27.3445 212.325 91.8794 -65.9955 91.88 -139.409 GPRESSURE: 493000 -65.5678 -48.1641 -87.3362 -4.40732 224.584 20.3985 -104.801 40.0687 -85.5096 PRESSAVG: 493000 -25.0219 41.8295 -10.4312 41.8293 5.2172 49.1879 -10.4312 49.1879 56.6733 GPRESSAVG: 493000 -24.9807 42.1777 -10.3499 40.4207 5.5647 47.3755 -11.4384 51.3327 55.9425 TIMING: 493000 CPU: 1469.32, 0.00294006/step Wall: 1469.32, 0.00294006/step, 3.68079 hours remaining, 206.605469 MB of memory in use. ENERGY: 493000 740.4401 2104.3584 1947.1762 121.7812 -206406.9066 17789.0506 0.0000 0.0000 34332.3773 -149371.7228 299.8332 -183704.1001 -149277.9562 299.1942 -6.8798 24.5022 556430.1544 12.2895 12.1755 PRESSURE: 493200 -41.3195 178.35 106.841 178.349 -22.2171 -195.606 106.842 -195.605 107.386 GPRESSURE: 493200 24.8082 155.083 142.198 67.126 16.4522 -191.856 53.7656 -172.282 97.7668 PRESSAVG: 493200 -49.1729 -19.2747 -8.99466 -19.2748 68.0016 -5.59007 -8.99463 -5.59008 -23.7321 GPRESSAVG: 493200 -49.3391 -18.3608 -9.10188 -19.7999 66.9769 -3.23821 -8.81074 -6.94914 -22.5616 TIMING: 493200 CPU: 1469.92, 0.00296497/step Wall: 1469.92, 0.00296496/step, 3.71181 hours remaining, 206.605469 MB of memory in use. ENERGY: 493200 751.4820 2080.0193 1941.2683 100.5163 -206355.8333 18018.6743 0.0000 0.0000 34198.8389 -149265.0342 298.6670 -183463.8732 -149159.8901 299.2994 14.6165 46.3424 557091.6727 -1.6345 -1.6413 PRESSURE: 493400 35.4355 -102.476 -128.999 -102.477 257.58 19.7959 -128.999 19.7957 -74.0483 GPRESSURE: 493400 86.3299 -143.574 -155.258 14.1883 303.282 -69.6177 -69.7279 105.831 -72.154 PRESSAVG: 493400 -47.9877 -21.797 10.7361 -21.7971 10.7033 31.398 10.7362 31.398 34.1643 GPRESSAVG: 493400 -46.773 -19.1953 13.6869 -21.1477 10.3099 29.1214 10.8784 32.7217 32.6518 TIMING: 493400 CPU: 1470.51, 0.00298307/step Wall: 1470.51, 0.00298307/step, 3.73431 hours remaining, 206.605469 MB of memory in use. ENERGY: 493400 773.0466 2125.2120 1927.9994 119.6148 -206579.6884 18209.1936 0.0000 0.0000 34141.4024 -149283.2196 298.1654 -183424.6220 -149196.4924 299.2823 72.9891 105.8192 560168.2096 -1.0400 -1.2704 PRESSURE: 493600 -138.769 167.26 90.359 167.259 -79.4968 135.721 90.3585 135.722 -187.419 GPRESSURE: 493600 -130.028 173.962 144.299 204.611 -37.481 208.119 4.3335 84.7195 -151.428 PRESSAVG: 493600 6.89032 25.3812 -47.6135 25.3813 13.5892 18.4387 -47.6135 18.4386 9.08337 GPRESSAVG: 493600 7.20448 23.2911 -48.8692 24.6666 13.3703 20.5373 -46.8097 17.4683 9.44831 TIMING: 493600 CPU: 1471.11, 0.00296585/step Wall: 1471.11, 0.00296585/step, 3.71259 hours remaining, 206.605469 MB of memory in use. ENERGY: 493600 731.7917 2092.2881 1961.7998 112.8832 -206598.3970 17939.5284 0.0000 0.0000 34424.8440 -149335.2618 300.6407 -183760.1058 -149239.5454 299.3505 -135.2280 -106.3124 558587.1454 9.8543 10.0077 PRESSURE: 493800 -112.421 16.6227 -68.2036 16.6229 59.0372 114.729 -68.2038 114.728 3.50007 GPRESSURE: 493800 -54.0207 -12.8873 -110.888 61.9682 65.4691 114.664 -117.518 60.054 40.1948 PRESSAVG: 493800 -12.0787 32.1038 68.6044 32.1038 -13.4202 81.4612 68.6044 81.461 24.4363 GPRESSAVG: 493800 -12.3662 32.1319 67.1547 33.9955 -12.5364 80.6529 66.2103 82.8984 24.0235 TIMING: 493800 CPU: 1471.7, 0.00297098/step Wall: 1471.7, 0.00297098/step, 3.71884 hours remaining, 206.605469 MB of memory in use. ENERGY: 493800 763.5006 2114.7169 1955.4321 115.8628 -206496.9084 17964.9293 0.0000 0.0000 34165.9540 -149416.5128 298.3798 -183582.4668 -149322.9823 298.9812 -16.6279 17.2144 557777.9500 -0.3542 -0.2930 PRESSURE: 494000 -93.9062 -142.721 -146.967 -142.723 59.3738 15.7113 -146.966 15.712 -313.206 GPRESSURE: 494000 -78.5051 -149.503 -120.703 -55.498 64.1296 -17.0974 -91.2428 37.719 -246.384 PRESSAVG: 494000 29.0332 16.2544 29.011 16.2543 32.5352 20.8231 29.011 20.823 -84.5971 GPRESSAVG: 494000 28.6671 16.4248 30.0624 13.7554 32.2054 19.1675 29.3447 22.774 -83.7466 TIMING: 494000 CPU: 1472.29, 0.00295559/step Wall: 1472.29, 0.00295559/step, 3.69941 hours remaining, 206.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 494000 739.2520 2032.6257 1955.6113 108.3232 -206123.6099 17656.1629 0.0000 0.0000 34018.8071 -149612.8276 297.0947 -183631.6347 -149524.8525 297.9902 -115.9128 -86.9199 556742.3980 -7.6762 -7.6247 PRESSURE: 494200 -176.02 42.2629 24.9355 42.2623 2.51166 138.205 24.9372 138.204 -37.7227 GPRESSURE: 494200 -87.8317 -12.1616 33.7014 98.9066 39.6789 71.2214 75.4362 57.6764 -61.6627 PRESSAVG: 494200 -6.60084 -24.2949 2.39721 -24.2949 -8.29309 -47.4332 2.39714 -47.4332 36.7985 GPRESSAVG: 494200 -6.88044 -24.7244 2.53006 -23.3984 -7.68344 -45.6045 2.5022 -50.0911 36.7663 TIMING: 494200 CPU: 1472.88, 0.00293668/step Wall: 1472.88, 0.00293669/step, 3.67559 hours remaining, 206.605469 MB of memory in use. ENERGY: 494200 774.8493 1992.2979 1930.5900 123.0474 -206516.3145 17838.3704 0.0000 0.0000 34093.8024 -149763.3570 297.7497 -183857.1594 -149663.7632 297.5667 -70.4104 -36.6052 557816.6662 7.3015 7.4008 PRESSURE: 494400 44.8088 -3.09723 -83.6309 -3.09735 310.114 -50.9565 -83.6305 -50.9556 133.278 GPRESSURE: 494400 87.3687 -31.1133 -162.701 16.0346 327.267 -73.4642 -17.5206 -46.7392 162.616 PRESSAVG: 494400 -10.5621 25.9051 1.93544 25.9051 -16.0175 50.1297 1.93541 50.1297 36.473 GPRESSAVG: 494400 -9.75444 25.8046 3.27263 25.5548 -16.5348 51.7682 0.637722 50.181 35.8687 TIMING: 494400 CPU: 1473.47, 0.00294283/step Wall: 1473.47, 0.00294283/step, 3.68312 hours remaining, 206.605469 MB of memory in use. ENERGY: 494400 764.2447 2039.0371 1905.3562 115.8670 -206562.7804 18109.7378 0.0000 0.0000 34133.5323 -149495.0053 298.0966 -183628.5375 -149390.1129 297.9120 162.7335 192.4171 557109.9465 3.2978 3.1931 PRESSURE: 494600 160.453 -64.6892 -103.381 -64.6883 -227.108 87.5352 -103.382 87.5343 151.97 GPRESSURE: 494600 213.616 -37.9788 -95.6017 -150.877 -196.532 39.9735 -108.014 19.5916 164.875 PRESSAVG: 494600 14.5387 65.3532 1.36293 65.3532 -2.0008 -7.2222 1.36289 -7.2222 -31.078 GPRESSAVG: 494600 15.0631 63.1767 0.621622 68.1502 -2.42868 -8.56897 2.13602 -7.3733 -31.0698 TIMING: 494600 CPU: 1474.06, 0.00295696/step Wall: 1474.06, 0.00295696/step, 3.70064 hours remaining, 206.605469 MB of memory in use. ENERGY: 494600 764.2511 2090.5337 1962.0478 101.7505 -206611.8866 18053.7810 0.0000 0.0000 34208.7674 -149430.7551 298.7537 -183639.5225 -149336.6031 298.7063 28.4385 60.6528 557614.1685 -6.1800 -6.1451 PRESSURE: 494800 190.696 29.192 11.366 29.1911 84.1708 -86.2341 11.3676 -86.2339 98.7639 GPRESSURE: 494800 159.748 27.8807 73.4787 43.2279 142.705 -80.971 -36.3548 -56.7958 168.742 PRESSAVG: 494800 -10.0149 40.8486 -14.5298 40.8486 -4.31464 0.360875 -14.5299 0.360916 -24.6558 GPRESSAVG: 494800 -10.4047 40.4403 -15.4951 40.6449 -4.29249 -0.738261 -14.6934 1.9561 -23.9595 TIMING: 494800 CPU: 1474.65, 0.00293946/step Wall: 1474.65, 0.00293946/step, 3.67857 hours remaining, 206.605469 MB of memory in use. ENERGY: 494800 681.5803 2096.7057 1960.2018 116.6035 -206334.7559 17862.3674 0.0000 0.0000 34170.3765 -149446.9207 298.4184 -183617.2973 -149344.0071 298.6619 124.5434 157.0649 557315.2838 -12.9951 -12.8856 PRESSURE: 495000 191.2 27.0957 -80.4554 27.096 -27.1153 -130.612 -80.455 -130.612 30.3547 GPRESSURE: 495000 225.565 52.5829 -106.833 19.4275 7.07654 -151.667 -51.0244 -79.054 41.3687 PRESSAVG: 495000 10.1917 2.71815 -54.7109 2.71822 -15.3959 15.9214 -54.7109 15.9214 -6.9402 GPRESSAVG: 495000 10.3654 4.1471 -54.1452 2.1429 -15.526 17.1294 -53.5597 14.8514 -7.13062 TIMING: 495000 CPU: 1475.24, 0.00295132/step Wall: 1475.24, 0.00295132/step, 3.69325 hours remaining, 206.605469 MB of memory in use. ENERGY: 495000 776.7421 2108.8284 1926.3108 121.2066 -206535.2901 18004.3131 0.0000 0.0000 34181.0952 -149416.7940 298.5120 -183597.8891 -149325.0331 298.7257 64.8130 91.3368 557754.8268 -4.0481 -4.0971 PRESSURE: 495200 -329.385 13.4159 -66.135 13.4162 -123.55 38.2522 -66.1353 38.2537 -97.5977 GPRESSURE: 495200 -372.952 41.0295 -106.484 -42.7057 -85.5258 146.912 -36.2729 18.0399 8.12818 PRESSAVG: 495200 10.4447 -37.507 42.5808 -37.5071 -18.9649 -21.0126 42.5808 -21.0126 29.3991 GPRESSAVG: 495200 9.5066 -37.5238 43.0892 -38.7376 -18.8171 -21.2621 41.3748 -22.5746 30.445 TIMING: 495200 CPU: 1475.82, 0.00293462/step Wall: 1475.82, 0.00293462/step, 3.67219 hours remaining, 206.605469 MB of memory in use. ENERGY: 495200 727.9688 2121.8961 1960.7953 108.0551 -206166.3305 17777.8519 0.0000 0.0000 33968.8295 -149500.9338 296.6582 -183469.7633 -149403.4830 298.1109 -183.5108 -150.1166 559266.2359 6.9596 7.0448 PRESSURE: 495400 156.655 -132.862 51.9483 -132.862 91.1652 31.2994 51.9481 31.2993 225.378 GPRESSURE: 495400 216.147 -193.381 27.2927 -35.6503 85.276 74.4409 105.778 -27.112 257.724 PRESSAVG: 495400 45.4148 -15.2649 -11.982 -15.2649 12.324 -18.9084 -11.9819 -18.9083 -10.3742 GPRESSAVG: 495400 46.1046 -14.3598 -11.846 -15.0823 12.1058 -18.8071 -11.0628 -19.0202 -10.636 TIMING: 495400 CPU: 1476.42, 0.00297214/step Wall: 1476.42, 0.00297214/step, 3.71897 hours remaining, 206.605469 MB of memory in use. ENERGY: 495400 766.1311 2081.7721 1961.6465 115.3555 -206657.5703 18085.0532 0.0000 0.0000 34349.2167 -149298.3953 299.9803 -183647.6119 -149200.3654 299.2273 157.7327 186.3824 556708.0113 15.7882 15.8582 PRESSURE: 495600 -233.335 123.687 236.766 123.688 53.8889 7.34547 236.766 7.34649 236.503 GPRESSURE: 495600 -147.409 52.7782 201.207 114.445 37.5832 -11.1438 186.79 21.6868 269.821 PRESSAVG: 495600 -37.0981 17.9165 26.5988 17.9165 25.7823 14.0845 26.5989 14.0845 22.2079 GPRESSAVG: 495600 -37.3404 17.5169 25.5809 15.7053 26.4772 12.3388 26.0667 14.8024 21.4255 TIMING: 495600 CPU: 1477.01, 0.00297611/step Wall: 1477.01, 0.00297611/step, 3.72378 hours remaining, 206.605469 MB of memory in use. ENERGY: 495600 710.9977 2093.1410 1968.6891 117.0523 -206681.8879 17931.6495 0.0000 0.0000 34231.1047 -149629.2536 298.9488 -183860.3583 -149526.4334 299.1646 19.0191 53.3320 557180.7007 3.6307 3.5208 PRESSURE: 495800 64.6166 132.662 55.3278 132.66 -388.614 -67.7161 55.3269 -67.7165 -229.175 GPRESSURE: 495800 134.484 17.5558 15.8113 171.556 -338.253 -24.0622 80.2956 -79.8139 -237.897 PRESSAVG: 495800 27.3761 -14.4679 -11.0267 -14.4679 1.1125 -4.09921 -11.0267 -4.09921 -17.0067 GPRESSAVG: 495800 28.7018 -15.1889 -10.6911 -10.9583 0.194886 -2.75105 -10.3843 -3.82506 -17.2255 TIMING: 495800 CPU: 1477.61, 0.00296605/step Wall: 1477.61, 0.00296605/step, 3.71102 hours remaining, 206.605469 MB of memory in use. ENERGY: 495800 722.8508 2110.7177 1960.3538 110.0820 -206676.5732 17714.0566 0.0000 0.0000 34583.1904 -149475.3219 302.0236 -184058.5123 -149376.3089 299.0306 -184.3906 -147.2221 557328.1102 3.8273 3.8904 PRESSURE: 496000 -217.805 -133.752 -17.0369 -133.752 -317.393 -16.837 -17.0371 -16.8366 -252.322 GPRESSURE: 496000 -167.992 -188.372 -41.7386 -92.0743 -292.261 24.065 -26.6261 -3.42876 -231.044 PRESSAVG: 496000 -0.560482 -0.133659 -19.1916 -0.133656 -17.6788 22.8506 -19.1916 22.8505 20.7551 GPRESSAVG: 496000 -0.576734 -1.21589 -19.0767 -0.787205 -17.867 21.4661 -18.7149 22.2763 20.902 TIMING: 496000 CPU: 1478.19, 0.00293982/step Wall: 1478.19, 0.00293982/step, 3.67805 hours remaining, 206.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 496000 778.7179 2111.9480 1978.4998 121.5048 -206352.8427 17722.4305 0.0000 0.0000 34318.1292 -149321.6126 299.7088 -183639.7418 -149228.3327 299.2077 -262.5068 -230.4327 558384.9670 0.8386 0.8194 PRESSURE: 496200 173.75 199.193 39.6516 199.193 49.8424 -171.067 39.6524 -171.067 -50.9007 GPRESSURE: 496200 272.415 137.435 88.6723 182.584 24.9282 -233.36 -13.1092 -176.987 -31.8849 PRESSAVG: 496200 -3.53423 1.53017 -17.6407 1.53009 8.80935 8.97705 -17.6406 8.97723 -20.6203 GPRESSAVG: 496200 -3.93771 2.77337 -17.7511 1.3895 10.2946 12.6429 -18.3043 7.60423 -21.0843 TIMING: 496200 CPU: 1478.78, 0.00295053/step Wall: 1478.78, 0.00295053/step, 3.69128 hours remaining, 206.605469 MB of memory in use. ENERGY: 496200 724.4871 2040.3105 1974.2501 118.3886 -206258.4713 17956.3065 0.0000 0.0000 34200.7310 -149243.9975 298.6835 -183444.7286 -149150.7425 298.5322 57.5639 88.4861 559172.8451 -5.1151 -4.9091 LDB: ============= START OF LOAD BALANCING ============== 1482.33 LDB: ============== END OF LOAD BALANCING =============== 1482.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1482.33 LDB: ============= START OF LOAD BALANCING ============== 1482.62 LDB: Largest compute 4796 load 0.027229 is 23.1% of average load 0.118078 LDB: Average compute 0.001739 is 1.5% of average load 0.118078 LDB: TIME 1482.63 LOAD: AVG 0.118078 MAX 0.201655 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.117 MB LDB: TIME 1482.63 LOAD: AVG 0.118078 MAX 0.201655 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.117 MB LDB: TIME 1482.63 LOAD: AVG 0.118078 MAX 0.201655 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.117 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1482.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1482.63 PRESSURE: 496400 -2.95815 22.8689 56.8883 22.8681 -62.679 -197.119 56.8879 -197.118 -124.599 GPRESSURE: 496400 6.36756 -19.0075 76.5907 -35.6314 12.057 -128.026 -23.0033 -95.7742 -102.42 PRESSAVG: 496400 -3.31789 -4.89793 -50.7588 -4.89794 -11.4231 -31.8035 -50.7588 -31.8035 17.9748 GPRESSAVG: 496400 -5.08913 -6.58454 -51.4893 -3.78231 -10.6976 -33.0118 -51.191 -30.3625 19.2649 TIMING: 496400 CPU: 1479.38, 0.00299639/step Wall: 1479.38, 0.00299639/step, 3.74849 hours remaining, 206.539062 MB of memory in use. ENERGY: 496400 782.6569 2090.6509 1962.7543 118.1371 -206447.2302 17974.0343 0.0000 0.0000 34335.4234 -149183.5734 299.8598 -183518.9968 -149088.4161 299.5430 -63.4119 -27.9984 558596.1202 1.0779 1.1594 PRESSURE: 496600 120.292 -111.034 -223.066 -111.035 320.159 21.5495 -223.067 21.5491 52.0518 GPRESSURE: 496600 73.8714 -113.666 -190.612 -140.549 423.437 -57.0261 -224.806 39.5053 89.5316 PRESSAVG: 496600 8.73556 -11.6204 -31.1944 -11.6204 9.77809 -59.3071 -31.1943 -59.307 -26.6787 GPRESSAVG: 496600 9.76674 -9.88697 -31.6679 -13.471 9.77468 -62.2805 -29.1396 -58.6437 -27.7056 TIMING: 496600 CPU: 1479.97, 0.00291954/step Wall: 1479.97, 0.00291954/step, 3.65219 hours remaining, 206.539062 MB of memory in use. ENERGY: 496600 730.7208 2116.4595 1940.5134 104.7291 -206622.9142 18228.5102 0.0000 0.0000 34217.2099 -149284.7713 298.8274 -183501.9812 -149194.5039 299.2001 164.1674 195.6132 558062.1344 -2.7217 -2.7214 PRESSURE: 496800 -110.486 44.9936 118.692 44.9927 -152.22 -8.12207 118.693 -8.12218 -38.486 GPRESSURE: 496800 -44.8611 47.4089 89.4456 25.2767 -134.781 99.4054 188.255 -171.663 -35.8027 PRESSAVG: 496800 40.0615 52.2437 -12.696 52.2437 26.8714 52.7872 -12.6959 52.7871 -96.7374 GPRESSAVG: 496800 40.3146 50.845 -10.4613 51.7875 26.1274 52.5396 -13.6429 54.1549 -96.2129 TIMING: 496800 CPU: 1480.56, 0.00295923/step Wall: 1480.56, 0.00295923/step, 3.70167 hours remaining, 206.539062 MB of memory in use. ENERGY: 496800 761.9213 2050.0599 1959.3088 120.2409 -205907.6556 17530.5933 0.0000 0.0000 34231.5487 -149253.9826 298.9526 -183485.5313 -149150.4246 299.1135 -100.3975 -71.8150 558081.1207 -9.9348 -9.9236 PRESSURE: 497000 -74.1775 -42.2311 -90.5532 -42.2322 -32.2028 -48.412 -90.5541 -48.4137 -88.0887 GPRESSURE: 497000 -74.1065 -77.6176 -53.0694 5.77683 35.3946 -103.553 -132.436 -55.7326 -66.126 PRESSAVG: 497000 3.93062 41.1381 3.97994 41.1381 18.8884 40.2824 3.97996 40.2825 -5.39512 GPRESSAVG: 497000 3.85142 41.7441 1.64668 41.8928 20.8053 42.4097 5.08655 36.1399 -7.03638 TIMING: 497000 CPU: 1481.15, 0.0029728/step Wall: 1481.15, 0.0029728/step, 3.71847 hours remaining, 206.539062 MB of memory in use. ENERGY: 497000 764.3798 2091.7797 1956.5789 104.7419 -206182.6103 17789.2736 0.0000 0.0000 34337.1916 -149138.6648 299.8752 -183475.8564 -149040.1653 299.5897 -64.8230 -34.9460 559235.6140 5.8080 5.8734 PRESSURE: 497200 -167.176 -26.4056 -30.1337 -26.4053 11.8078 -130.997 -30.1335 -130.996 -107.922 GPRESSURE: 497200 -223.382 11.8503 -3.07866 -68.2097 136.962 -120.057 -69.9958 -19.0511 -69.1651 PRESSAVG: 497200 -17.6066 1.59649 6.37018 1.59656 8.18485 -4.37246 6.37023 -4.37244 51.9959 GPRESSAVG: 497200 -17.7599 2.33848 9.16571 1.55517 6.47397 -6.35053 5.62836 -2.204 53.4455 TIMING: 497200 CPU: 1481.74, 0.00295695/step Wall: 1481.74, 0.00295695/step, 3.69849 hours remaining, 206.539062 MB of memory in use. ENERGY: 497200 725.2772 2070.6589 1933.9267 111.8570 -206278.9061 17837.8628 0.0000 0.0000 34443.3059 -149156.0177 300.8020 -183599.3235 -149062.4662 300.0887 -87.7634 -51.8616 557413.2816 14.1914 14.0532 PRESSURE: 497400 -38.0247 -157.229 1.69259 -157.228 -157.132 28.9659 1.69246 28.9651 178.423 GPRESSURE: 497400 -29.9214 -184.374 87.0267 -175.601 -115.803 101.49 70.8261 -32.9889 225.171 PRESSAVG: 497400 -11.5059 -23.0405 -29.5917 -23.0405 -43.7941 40.486 -29.5917 40.4858 82.1925 GPRESSAVG: 497400 -12.3779 -22.1814 -30.1504 -23.4673 -42.7837 42.8414 -30.8525 41.443 82.2755 TIMING: 497400 CPU: 1482.33, 0.00294277/step Wall: 1482.33, 0.00294277/step, 3.68059 hours remaining, 206.539062 MB of memory in use. ENERGY: 497400 714.6870 2077.6226 1942.9471 110.0944 -205951.3346 17753.0491 0.0000 0.0000 34256.6072 -149096.3272 299.1715 -183352.9344 -149002.9218 299.3126 -5.5779 26.4821 557831.2613 8.9642 9.0380 PRESSURE: 497600 27.792 -32.8469 6.71918 -32.8457 34.9307 -25.0052 6.71956 -25.0052 -74.7929 GPRESSURE: 497600 100.515 -29.5231 112.459 -53.2777 33.0893 -9.63244 -45.2333 45.5439 -50.1007 PRESSAVG: 497600 -1.89508 1.13696 -17.207 1.13676 37.0268 17.2829 -17.207 17.2829 12.5299 GPRESSAVG: 497600 -1.17416 -1.19791 -17.2392 2.85845 36.3856 16.7063 -16.5914 17.9028 12.205 TIMING: 497600 CPU: 1482.92, 0.00295025/step Wall: 1482.92, 0.00295025/step, 3.68978 hours remaining, 206.539062 MB of memory in use. ENERGY: 497600 746.6112 2114.7023 1936.5761 93.3117 -205938.7524 17653.3572 0.0000 0.0000 34306.2141 -149087.9800 299.6047 -183394.1940 -148991.3097 300.2602 -4.0234 27.8346 557766.9697 15.8872 15.8055 PRESSURE: 497800 -315.832 -211.911 26.4542 -211.912 -27.9772 -193.741 26.454 -193.739 42.7518 GPRESSURE: 497800 -274.59 -151.351 50.5383 -212.904 -1.0455 -195.655 36.8233 -210.455 67.8177 PRESSAVG: 497800 -95.1115 -2.30593 -26.7563 -2.30584 59.8424 -15.7057 -26.7562 -15.7058 20.9708 GPRESSAVG: 497800 -95.4086 -1.29001 -29.6214 -2.57774 60.7284 -16.6131 -26.3763 -16.164 20.3798 TIMING: 497800 CPU: 1483.51, 0.00293895/step Wall: 1483.51, 0.00293895/step, 3.67549 hours remaining, 206.539062 MB of memory in use. ENERGY: 497800 736.8278 2105.5588 1989.8528 108.7191 -206255.7956 17785.2353 0.0000 0.0000 34226.4402 -149303.1616 298.9080 -183529.6018 -149206.5742 298.7947 -100.3525 -69.2725 558246.1515 -4.7661 -4.7668 PRESSURE: 498000 -34.7635 34.3326 -27.8959 34.3335 -248.384 -32.5377 -27.8956 -32.5373 167.431 GPRESSURE: 498000 40.4538 57.7238 7.00198 27.5389 -197.858 -71.1719 34.9602 -31.2716 143.623 PRESSAVG: 498000 -57.2552 -26.9357 1.89978 -26.9356 97.1209 -9.72196 1.89972 -9.72194 -25.2419 GPRESSAVG: 498000 -57.5084 -27.6071 4.67634 -28.634 97.1855 -9.46482 1.10771 -10.4459 -24.7226 TIMING: 498000 CPU: 1484.1, 0.00293449/step Wall: 1484.1, 0.00293449/step, 3.66974 hours remaining, 206.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 498000 758.7791 2094.7249 1944.2893 99.0978 -206462.7854 18024.5380 0.0000 0.0000 34328.7401 -149212.6161 299.8014 -183541.3562 -149122.7155 299.3364 -38.5721 -4.5939 557312.3304 4.8746 4.9849 PRESSURE: 498200 89.334 14.2428 -68.3363 14.2434 -256.004 -54.8753 -68.3363 -54.8757 -166.975 GPRESSURE: 498200 205.118 -54.4381 -116.904 41.5022 -255.705 -187.778 -55.1024 47.8201 -188.266 PRESSAVG: 498200 -11.4874 60.1757 -38.2389 60.1757 2.43287 16.9183 -38.2389 16.9183 -50.0232 GPRESSAVG: 498200 -11.1816 60.6767 -41.2739 61.09 1.9346 16.9142 -35.4906 16.191 -49.8439 TIMING: 498200 CPU: 1484.69, 0.0029459/step Wall: 1484.69, 0.0029459/step, 3.68385 hours remaining, 206.539062 MB of memory in use. ENERGY: 498200 745.9372 2153.0930 1943.9847 117.2223 -206627.1231 17908.9222 0.0000 0.0000 34206.9464 -149551.0173 298.7378 -183757.9637 -149460.2286 298.9965 -111.2152 -79.6176 558015.8853 -19.6926 -19.6969 PRESSURE: 498400 -441.593 66.6342 0.380246 66.6346 -203.433 127.017 0.380804 127.019 -197.564 GPRESSURE: 498400 -421.96 73.1853 46.5444 84.6561 -144.72 81.8127 42.2317 74.6013 -191.385 PRESSAVG: 498400 61.2433 -16.6454 36.0003 -16.6455 -47.6104 -17.8649 36.0004 -17.8649 31.8964 GPRESSAVG: 498400 61.7864 -16.9411 36.0166 -16.8761 -48.3289 -18.0661 34.5914 -17.314 32.243 TIMING: 498400 CPU: 1485.28, 0.00294019/step Wall: 1485.28, 0.00294019/step, 3.67655 hours remaining, 206.539062 MB of memory in use. ENERGY: 498400 738.4183 2104.8120 1916.1478 101.4408 -206131.2344 17634.3313 0.0000 0.0000 34301.3857 -149334.6986 299.5625 -183636.0843 -149239.1360 298.0748 -280.8635 -252.6885 561399.3880 15.1765 15.2335 PRESSURE: 498600 -12.2388 -14.912 -100.48 -14.912 35.418 -76.0078 -100.48 -76.0074 -2.17161 GPRESSURE: 498600 66.2636 -9.11781 -72.33 37.6197 -3.43023 -68.617 -26.3437 -62.2746 45.6055 PRESSAVG: 498600 -42.7623 -23.8838 -13.9784 -23.8838 36.031 13.8126 -13.9784 13.8125 16.4126 GPRESSAVG: 498600 -43.81 -22.5035 -13.2117 -25.1678 37.0317 13.2612 -14.569 14.0449 16.5137 TIMING: 498600 CPU: 1485.87, 0.00296297/step Wall: 1485.87, 0.00296297/step, 3.70486 hours remaining, 206.539062 MB of memory in use. ENERGY: 498600 716.2492 2144.6934 1927.1086 123.7292 -206654.7168 18095.2324 0.0000 0.0000 34289.1373 -149358.5665 299.4556 -183647.7039 -149262.5284 298.8698 7.0025 36.1463 558663.4325 3.2271 3.2451 PRESSURE: 498800 -17.3323 102.692 -56.8816 102.693 60.9537 -128.563 -56.8814 -128.563 -36.1486 GPRESSURE: 498800 32.508 118.203 -49.9164 129.002 39.2535 -180.643 -72.2279 -96.44 25.7555 PRESSAVG: 498800 17.8043 13.6488 15.6865 13.6488 -16.9261 4.2051 15.6866 4.20503 -38.2466 GPRESSAVG: 498800 19.7776 10.6766 16.6053 13.6246 -17.8676 4.36039 15.5074 4.2132 -38.8398 TIMING: 498800 CPU: 1486.46, 0.0029482/step Wall: 1486.46, 0.0029482/step, 3.68623 hours remaining, 206.539062 MB of memory in use. ENERGY: 498800 728.9990 2114.7427 1957.8749 108.0527 -206364.6899 17802.7992 0.0000 0.0000 34252.7780 -149399.4434 299.1380 -183652.2215 -149301.9444 298.5454 2.4909 32.5057 557382.7986 -12.4561 -12.3100 PRESSURE: 499000 -196.898 67.157 72.6747 67.1575 -96.4489 -76.4223 72.6745 -76.4228 -55.64 GPRESSURE: 499000 -142.82 122.255 39.2919 28.1133 -47.1304 -39.322 132.757 -102.945 -57.9583 PRESSAVG: 499000 -21.3393 -23.3463 36.6164 -23.3463 6.29512 6.2985 36.6165 6.2985 16.1914 GPRESSAVG: 499000 -21.8139 -22.5525 36.2332 -23.1841 7.11325 6.22223 37.8572 7.38778 16.1111 TIMING: 499000 CPU: 1487.04, 0.00293063/step Wall: 1487.04, 0.00293063/step, 3.66411 hours remaining, 206.539062 MB of memory in use. ENERGY: 499000 781.7230 2087.9325 1964.3337 119.0178 -206203.9698 17742.1489 0.0000 0.0000 34120.7704 -149388.0437 297.9852 -183508.8141 -149292.4325 298.8966 -116.3291 -82.6363 558013.7199 0.3824 0.4701 PRESSURE: 499200 355.744 -130.342 -108.717 -130.342 116.438 33.2559 -108.717 33.256 33.5333 GPRESSURE: 499200 327.663 -109.473 -0.0587741 -156.006 151.891 74.043 -151.137 -9.1269 131.353 PRESSAVG: 499200 16.7579 44.8313 18.9568 44.8313 29.1769 40.8053 18.9569 40.8052 -14.8867 GPRESSAVG: 499200 16.3526 47.1752 20.1989 45.7788 29.028 40.9164 14.5277 39.487 -14.9105 TIMING: 499200 CPU: 1487.63, 0.00293095/step Wall: 1487.63, 0.00293095/step, 3.66434 hours remaining, 206.539062 MB of memory in use. ENERGY: 499200 725.1766 2082.2003 1957.2318 123.3896 -206898.2575 18084.9789 0.0000 0.0000 34516.6233 -149408.6568 301.4423 -183925.2802 -149315.2175 299.3632 168.5716 203.6356 555711.6123 10.3494 10.1567 PRESSURE: 499400 -57.737 -93.9466 -130.196 -93.9461 -77.8776 53.2191 -130.196 53.2199 -215.059 GPRESSURE: 499400 -70.3795 -126.463 -132.186 6.95082 -74.2645 19.4401 -75.1362 49.9069 -116.189 PRESSAVG: 499400 35.8693 -4.89125 -9.00393 -4.89127 -24.167 -25.2394 -9.00399 -25.2395 -23.9139 GPRESSAVG: 499400 37.4048 -3.87476 -11.4076 -7.35608 -25.8715 -25.7199 -5.67864 -24.402 -24.07 TIMING: 499400 CPU: 1488.21, 0.00291863/step Wall: 1488.21, 0.00291863/step, 3.64877 hours remaining, 206.539062 MB of memory in use. ENERGY: 499400 734.2845 2039.0441 1953.3526 126.7812 -206395.5704 17775.9204 0.0000 0.0000 34291.9966 -149474.1911 299.4805 -183766.1877 -149373.6385 299.1646 -116.8912 -86.9443 556957.7127 -4.0706 -4.1789 PRESSURE: 499600 49.5305 -134.792 128.499 -134.791 211.897 -106.713 128.499 -106.712 -75.6549 GPRESSURE: 499600 74.6564 -86.347 39.2692 -80.8211 258.908 -86.6733 137.023 -93.0366 -57.9807 PRESSAVG: 499600 6.63544 -27.4629 -16.5111 -27.463 64.046 -16.1068 -16.5111 -16.1068 -50.9521 GPRESSAVG: 499600 5.27703 -30.0151 -16.0229 -25.0617 64.4252 -12.8697 -14.6675 -17.0427 -50.0418 TIMING: 499600 CPU: 1488.8, 0.00293738/step Wall: 1488.8, 0.00293738/step, 3.67205 hours remaining, 206.539062 MB of memory in use. ENERGY: 499600 745.1567 2105.4631 1908.1451 112.6762 -206464.0630 17943.8805 0.0000 0.0000 34143.6580 -149505.0835 298.1851 -183648.7414 -149406.7938 298.3454 61.9241 91.8612 556945.4152 6.5765 6.5535 PRESSURE: 499800 -267.338 -8.68162 -70.4805 -8.6804 147.366 -102.656 -70.4807 -102.658 -4.55533 GPRESSURE: 499800 -195.223 -27.2536 -154.454 6.26824 125.67 -49.8009 -5.71338 -78.9008 56.6731 PRESSAVG: 499800 34.8144 -27.4091 -78.6364 -27.4092 -3.32074 -40.6659 -78.6364 -40.6659 -37.351 GPRESSAVG: 499800 34.8537 -26.2579 -77.1846 -25.8971 -2.68773 -43.5141 -80.8893 -40.3585 -37.7967 TIMING: 499800 CPU: 1489.39, 0.00295619/step Wall: 1489.39, 0.00295619/step, 3.6954 hours remaining, 206.539062 MB of memory in use. ENERGY: 499800 740.8266 2074.7162 1939.0383 104.9046 -206422.7396 17793.4416 0.0000 0.0000 34197.7073 -149572.1049 298.6571 -183769.8122 -149477.5579 298.4108 -41.5089 -4.2932 556349.9757 -1.9524 -1.8769 PRESSURE: 500000 -66.0242 11.0761 -9.99286 11.077 -409.023 -131.313 -9.99433 -131.312 -73.7725 GPRESSURE: 500000 -42.7079 33.0256 43.0034 -72.3728 -359.88 -154.844 46.7701 -111.616 -46.8062 PRESSAVG: 500000 -6.3858 -38.0777 -65.0323 -38.0777 -20.4297 19.5131 -65.0324 19.5132 66.5303 GPRESSAVG: 500000 -5.97695 -37.2312 -65.5963 -38.5346 -20.5891 20.589 -64.5853 18.0302 65.9802 TIMING: 500000 CPU: 1489.99, 0.002982/step Wall: 1489.99, 0.002982/step, 3.7275 hours remaining, 206.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 500000 763.7051 2142.0187 1945.5753 109.7142 -206407.3356 17825.0309 0.0000 0.0000 34167.4555 -149453.8358 298.3929 -183621.2913 -149365.4111 298.5674 -182.9400 -149.7979 557865.9776 13.2383 13.1380 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 500000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 500000 WRITING COORDINATES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART COORDINATES The last position output (seq=500000) takes 0.010 seconds, 206.539 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=500000) takes 0.004 seconds, 206.664 MB of memory in use PRESSURE: 500200 26.4638 42.9434 -60.6252 42.9429 42.1929 -28.3863 -60.6249 -28.3869 -0.264021 GPRESSURE: 500200 58.5334 70.0554 -83.0409 25.187 72.2308 -88.7511 -53.7097 12.7744 32.1155 PRESSAVG: 500200 -5.97603 -26.8764 -74.743 -26.8765 -62.3049 3.16706 -74.743 3.16711 29.1982 GPRESSAVG: 500200 -7.12015 -28.5235 -75.7915 -28.3356 -62.0713 1.36701 -75.1866 4.32518 29.6334 TIMING: 500200 CPU: 1490.6, 0.00305963/step Wall: 1490.6, 0.00305963/step, 3.82436 hours remaining, 206.664062 MB of memory in use. ENERGY: 500200 747.1578 2111.5152 1945.8224 112.5638 -206343.0696 17787.4573 0.0000 0.0000 34284.7363 -149353.8167 299.4171 -183638.5530 -149254.5394 299.3823 22.7976 54.2932 556623.0302 -13.0276 -13.1860 LDB: ============= START OF LOAD BALANCING ============== 1494.15 LDB: ============== END OF LOAD BALANCING =============== 1494.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1494.15 LDB: ============= START OF LOAD BALANCING ============== 1494.45 LDB: Largest compute 4796 load 0.028019 is 23.7% of average load 0.118089 LDB: Average compute 0.001740 is 1.5% of average load 0.118089 LDB: TIME 1494.45 LOAD: AVG 0.118089 MAX 0.203584 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.539 MB LDB: TIME 1494.45 LOAD: AVG 0.118089 MAX 0.203584 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: TIME 1494.45 LOAD: AVG 0.118089 MAX 0.203584 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: ============== END OF LOAD BALANCING =============== 1494.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1494.46 PRESSURE: 500400 18.268 5.43431 -101.665 5.43337 -1.68954 -112.576 -101.666 -112.575 -88.3142 GPRESSURE: 500400 78.9251 40.6224 -220.978 -19.796 -4.24626 -89.0801 -87.1119 -153.295 -37.4085 PRESSAVG: 500400 27.9575 20.6219 -71.7781 20.6219 -24.2252 29.3931 -71.778 29.3931 2.51578 GPRESSAVG: 500400 28.177 19.182 -70.885 22.1482 -23.5753 30.6852 -73.3475 29.369 1.75337 TIMING: 500400 CPU: 1491.21, 0.00304721/step Wall: 1491.21, 0.00304721/step, 3.80867 hours remaining, 205.960938 MB of memory in use. ENERGY: 500400 745.4921 2175.0010 1957.3962 116.3448 -206423.0711 17763.7633 0.0000 0.0000 34274.1436 -149390.9301 299.3246 -183665.0737 -149296.3781 298.6803 -23.9119 12.4234 556885.0827 2.0827 2.1184 PRESSURE: 500600 322.196 -86.2709 20.3826 -86.2713 98.8814 36.5096 20.3827 36.5088 -16.603 GPRESSURE: 500600 294.575 25.571 57.8442 -111.241 158.995 148.893 16.5779 31.5149 41.5145 PRESSAVG: 500600 47.2027 -60.2212 -26.2915 -60.2213 5.7676 20.7666 -26.2914 20.7665 -18.7993 GPRESSAVG: 500600 47.6673 -59.1273 -25.9754 -60.0257 3.69662 21.5864 -25.4297 20.7201 -17.0461 TIMING: 500600 CPU: 1491.81, 0.00300212/step Wall: 1491.81, 0.00300212/step, 3.75215 hours remaining, 205.960938 MB of memory in use. ENERGY: 500600 733.1316 2090.7698 1939.4660 108.0605 -206559.5982 18045.7093 0.0000 0.0000 34201.0021 -149441.4589 298.6859 -183642.4610 -149345.2268 298.7327 134.8249 165.0281 555508.5957 11.3903 11.4393 PRESSURE: 500800 -78.2711 57.5208 -10.1984 57.5202 -301.829 -31.3055 -10.1965 -31.306 -229.884 GPRESSURE: 500800 -57.2365 6.39647 54.2889 69.0673 -232.286 -24.4285 -147.358 27.2995 -209.304 PRESSAVG: 500800 -16.3785 -60.1715 -45.64 -60.1715 3.89312 39.6659 -45.64 39.6659 -14.2529 GPRESSAVG: 500800 -16.4817 -61.2259 -46.8157 -60.8784 5.26159 41.6225 -46.2325 39.3184 -15.0876 TIMING: 500800 CPU: 1492.41, 0.00299125/step Wall: 1492.41, 0.00299125/step, 3.7384 hours remaining, 205.960938 MB of memory in use. ENERGY: 500800 771.1583 2086.7021 1934.7495 106.6040 -206359.6072 17612.1137 0.0000 0.0000 34279.8535 -149568.4261 299.3745 -183848.2796 -149472.4862 298.6827 -203.3281 -166.2754 556531.4663 -8.9127 -8.7692 PRESSURE: 501000 231.511 47.1204 103.951 47.1209 356.122 -137.385 103.951 -137.385 190.651 GPRESSURE: 501000 236.511 101.132 167.327 -10.0205 365.994 -166.772 107.087 -93.1263 270.521 PRESSAVG: 501000 71.8426 16.3521 14.1523 16.3521 -0.966831 -10.1225 14.1524 -10.1226 -16.4479 GPRESSAVG: 501000 70.9839 16.4647 15.8693 17.5664 -0.449273 -10.0199 16.4561 -11.576 -15.8588 TIMING: 501000 CPU: 1493.01, 0.00299063/step Wall: 1493.01, 0.00299063/step, 3.73746 hours remaining, 205.960938 MB of memory in use. ENERGY: 501000 768.5366 2052.7042 2012.4980 116.7342 -207127.2615 18335.0980 0.0000 0.0000 34156.3813 -149685.3091 298.2962 -183841.6904 -149591.6906 299.0667 259.4282 291.0087 555514.3024 18.1426 18.2253 PRESSURE: 501200 -165.815 -54.8548 -108.069 -54.855 21.8365 66.383 -108.069 66.3818 22.618 GPRESSURE: 501200 -135.002 -116.912 -224.436 47.8849 81.7326 44.0554 -23.4252 20.3624 29.7443 PRESSAVG: 501200 -23.5074 -25.9195 36.9777 -25.9195 -52.05 -23.7714 36.9778 -23.7714 16.029 GPRESSAVG: 501200 -22.374 -23.4456 36.2359 -25.6361 -52.4317 -23.8879 35.5117 -23.0123 14.9338 TIMING: 501200 CPU: 1493.6, 0.00298427/step Wall: 1493.6, 0.00298427/step, 3.72934 hours remaining, 205.960938 MB of memory in use. ENERGY: 501200 754.8674 2090.4278 1969.0637 109.2541 -206601.0801 17842.1950 0.0000 0.0000 34163.2500 -149672.0220 298.3562 -183835.2721 -149571.0480 298.0846 -40.4535 -7.8416 556252.6844 -19.8428 -19.9573 PRESSURE: 501400 109.709 23.3985 -13.3249 23.3983 22.6665 -47.5837 -13.3246 -47.5834 108.765 GPRESSURE: 501400 122.085 -86.3863 -32.2787 105.111 50.6174 -74.5679 50.2306 -22.2907 163.373 PRESSAVG: 501400 5.52522 -12.8132 -49.8539 -12.8132 -50.8607 -9.43181 -49.8539 -9.43187 57.0507 GPRESSAVG: 501400 5.73058 -13.5433 -50.0332 -12.7422 -51.8643 -12.8641 -49.119 -6.41061 58.3119 TIMING: 501400 CPU: 1494.2, 0.00296821/step Wall: 1494.2, 0.00296821/step, 3.7091 hours remaining, 205.960938 MB of memory in use. ENERGY: 501400 750.2844 2044.5811 1953.6165 121.7848 -206693.6174 18004.4092 0.0000 0.0000 34170.7982 -149648.1431 298.4221 -183818.9414 -149550.2675 298.1004 80.3803 112.0253 556487.8589 3.9051 4.0594 PRESSURE: 501600 -7.28125 -34.766 155.14 -34.7672 -168.666 21.6147 155.141 21.618 -20.5306 GPRESSURE: 501600 19.6543 9.59376 210.127 -34.0333 -141.044 21.7786 148.351 8.43116 16.2795 PRESSAVG: 501600 0.955655 14.1738 -47.708 14.1737 -37.9474 -49.0533 -47.708 -49.0532 61.2089 GPRESSAVG: 501600 0.923276 13.8761 -48.1004 12.1372 -36.6409 -48.2882 -47.6019 -50.3015 59.8152 TIMING: 501600 CPU: 1494.79, 0.00297729/step Wall: 1494.79, 0.00297729/step, 3.72029 hours remaining, 205.960938 MB of memory in use. ENERGY: 501600 751.1754 2091.1656 1940.2160 111.3529 -206245.0856 17673.2307 0.0000 0.0000 34152.6525 -149525.2925 298.2636 -183677.9449 -149426.2455 298.6210 -65.4925 -35.0367 555886.3893 8.0724 8.0326 PRESSURE: 501800 126.315 -20.8729 34.9221 -20.872 212.027 80.0189 34.9229 80.0197 -49.095 GPRESSURE: 501800 144.476 -58.1507 -48.5992 22.6613 200.616 125.023 37.5744 -11.7023 32.6573 PRESSAVG: 501800 -32.5599 -2.54846 22.1487 -2.54857 18.856 -16.6727 22.1488 -16.6727 45.4044 GPRESSAVG: 501800 -32.6141 -2.01024 21.3604 -0.437143 18.5485 -15.8162 23.0883 -16.9554 46.152 TIMING: 501800 CPU: 1495.39, 0.00296369/step Wall: 1495.39, 0.00296369/step, 3.70313 hours remaining, 205.960938 MB of memory in use. ENERGY: 501800 762.5061 2101.0840 1920.4261 102.2470 -206716.2948 18132.1618 0.0000 0.0000 34245.9672 -149451.9025 299.0785 -183697.8698 -149355.0953 299.4049 96.4157 125.9163 556092.3923 10.5668 10.6954 PRESSURE: 502000 -231.417 58.1144 -74.3157 58.114 -117.955 -0.281603 -74.3169 -0.281476 -204.413 GPRESSURE: 502000 -222.472 40.2757 -42.6174 -43.9383 -95.0123 61.3251 -123.669 -66.8734 -143.193 PRESSAVG: 502000 -8.3045 -51.1038 -38.0273 -51.1038 6.707 11.8654 -38.0273 11.8654 -19.8364 GPRESSAVG: 502000 -8.02803 -52.0563 -37.2465 -54.058 6.57761 12.6246 -38.3416 10.8427 -19.9408 TIMING: 502000 CPU: 1495.98, 0.00296013/step Wall: 1495.98, 0.00296013/step, 3.69851 hours remaining, 205.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 502000 776.1863 2120.8509 1939.9700 120.0703 -206248.6900 17746.8444 0.0000 0.0000 34144.1647 -149400.6034 298.1895 -183544.7681 -149299.8653 299.8595 -184.5949 -153.5592 557752.2340 -7.1446 -7.1304 PRESSURE: 502200 -139.426 -35.5517 51.7962 -35.5526 -101.878 -13.229 51.7957 -13.2298 -67.5352 GPRESSURE: 502200 -109.379 10.9445 68.7553 -55.4861 -62.2498 -44.8246 79.9463 61.5956 -42.4168 PRESSAVG: 502200 22.6202 13.0598 9.49462 13.0598 -1.93347 11.5083 9.49466 11.5083 25.3953 GPRESSAVG: 502200 22.5955 14.7748 10.0111 14.7237 -0.412776 9.80563 9.46781 13.1435 24.5111 TIMING: 502200 CPU: 1496.57, 0.00295557/step Wall: 1496.57, 0.00295557/step, 3.69265 hours remaining, 205.960938 MB of memory in use. ENERGY: 502200 784.3135 2120.9514 1953.4474 96.7785 -206213.5629 17638.6182 0.0000 0.0000 34340.2726 -149279.1814 299.9021 -183619.4540 -149174.2190 299.0215 -102.9462 -71.3484 556973.8098 15.3607 15.5646 PRESSURE: 502400 171.519 -88.8635 192.107 -88.8628 90.253 12.8915 192.107 12.8917 -46.5556 GPRESSURE: 502400 204.066 -60.9601 227.548 -124.46 115.145 11.4387 136.101 2.05854 -15.8033 PRESSAVG: 502400 -12.8915 -35.2483 44.8055 -35.2483 48.4472 -24.9559 44.8054 -24.9559 -28.7704 GPRESSAVG: 502400 -13.4195 -36.1198 44.8629 -36.1773 46.909 -26.4721 45.3756 -24.2314 -27.53 TIMING: 502400 CPU: 1497.17, 0.00298714/step Wall: 1497.17, 0.00298714/step, 3.73194 hours remaining, 205.960938 MB of memory in use. ENERGY: 502400 743.1995 2072.6192 1964.5882 108.4421 -206499.8872 17915.2564 0.0000 0.0000 34225.9360 -149469.8459 298.9036 -183695.7819 -149377.2945 299.1525 71.7389 101.1361 555950.0101 2.2618 1.9865 PRESSURE: 502600 46.4049 -57.9531 153.749 -57.9531 -5.1491 -4.57885 153.748 -4.57898 -252.823 GPRESSURE: 502600 42.4855 19.4527 150.446 -113.549 32.8189 -16.7687 173.162 -22.9924 -198.474 PRESSAVG: 502600 47.1101 -39.3779 26.4024 -39.3779 10.4268 44.8939 26.4024 44.8938 -44.468 GPRESSAVG: 502600 47.2953 -39.6812 27.3609 -37.4444 11.9859 47.4956 23.4018 42.8341 -45.2474 TIMING: 502600 CPU: 1497.76, 0.00296874/step Wall: 1497.76, 0.00296874/step, 3.70878 hours remaining, 205.960938 MB of memory in use. ENERGY: 502600 745.1363 2110.9604 1933.0152 115.9316 -206464.3644 17803.2376 0.0000 0.0000 34061.1826 -149694.9007 297.4648 -183756.0833 -149592.1580 298.8772 -70.5223 -41.0565 555668.5081 4.3563 4.6779 PRESSURE: 502800 -111.896 64.274 51.6479 64.2742 -18.7725 15.6128 51.6478 15.613 -152.339 GPRESSURE: 502800 -34.9514 111.792 156.905 -8.23556 -32.1642 -26.7298 -20.4752 85.9007 -121.755 PRESSAVG: 502800 43.5162 -8.01691 11.4006 -8.01702 3.38459 -31.5768 11.4005 -31.5767 -22.9537 GPRESSAVG: 502800 44.4782 -7.67304 10.2684 -10.998 2.14654 -31.8248 11.9469 -31.2402 -23.1915 TIMING: 502800 CPU: 1498.36, 0.00297872/step Wall: 1498.36, 0.00297872/step, 3.72108 hours remaining, 205.960938 MB of memory in use. ENERGY: 502800 760.9255 2077.9362 1956.7398 118.1709 -206585.9591 17871.7920 0.0000 0.0000 34112.8483 -149687.5465 297.9160 -183800.3948 -149591.3304 298.1827 -94.3357 -62.9570 556115.7019 7.9824 7.8111 PRESSURE: 503000 72.2058 -267.387 106.777 -267.387 -223.405 54.6394 106.776 54.64 -106.805 GPRESSURE: 503000 116.333 -206.719 57.8648 -248.471 -192.331 -8.59527 69.8882 -0.275164 -107.161 PRESSAVG: 503000 68.5551 -31.1604 51.7108 -31.1604 27.6738 -16.1758 51.7109 -16.1759 -61.7735 GPRESSAVG: 503000 68.6998 -30.6008 52.5357 -31.4712 27.9266 -15.7709 51.4751 -14.2733 -62.1298 TIMING: 503000 CPU: 1498.95, 0.00296204/step Wall: 1498.95, 0.00296204/step, 3.70008 hours remaining, 205.960938 MB of memory in use. ENERGY: 503000 780.3326 2189.0636 1942.9209 112.3375 -206669.2089 17755.4261 0.0000 0.0000 34130.0018 -149759.1264 298.0658 -183889.1282 -149668.8102 298.8332 -86.0016 -61.0529 556568.4783 11.4852 11.4988 PRESSURE: 503200 -147.453 -129.606 -52.996 -129.607 -244.424 -29.6461 -52.9971 -29.645 -183.537 GPRESSURE: 503200 -145.011 -137.174 -131.238 -141.27 -155.144 -91.6036 30.5087 -4.85118 -175.707 PRESSAVG: 503200 59.2684 -9.23766 42.4015 -9.23767 -24.4984 12.1487 42.4014 12.1487 -29.1155 GPRESSAVG: 503200 58.4295 -8.47879 42.3465 -9.9374 -23.2502 11.0387 41.6536 10.9921 -28.7201 TIMING: 503200 CPU: 1499.54, 0.00297231/step Wall: 1499.54, 0.00297231/step, 3.71275 hours remaining, 205.960938 MB of memory in use. ENERGY: 503200 738.6366 2100.0317 1929.2918 113.0266 -206301.5125 17701.6039 0.0000 0.0000 34016.0718 -149702.8500 297.0708 -183718.9218 -149603.4166 297.6404 -191.8047 -158.6207 557406.5647 1.8848 2.1531 PRESSURE: 503400 34.3725 82.7338 216.638 82.7331 -97.068 35.2529 216.638 35.252 -175.072 GPRESSURE: 503400 51.2346 159.633 221.109 68.4273 -30.1972 26.2261 126.291 25.1414 -170.66 PRESSAVG: 503400 1.57596 -37.9841 -3.53359 -37.9841 63.6468 5.13565 -3.53347 5.13568 -50.0797 GPRESSAVG: 503400 2.85349 -38.3918 -4.09829 -36.8338 61.6896 6.95827 -1.66753 4.81674 -49.4554 TIMING: 503400 CPU: 1500.13, 0.00295405/step Wall: 1500.13, 0.00295405/step, 3.68977 hours remaining, 205.960938 MB of memory in use. ENERGY: 503400 749.6220 2034.2978 1969.3135 115.6709 -206672.7523 17751.2019 0.0000 0.0000 34226.3626 -149826.2837 298.9073 -184052.6463 -149731.9898 297.6423 -79.2560 -49.8741 556134.5285 5.0477 5.0292 PRESSURE: 503600 -205.989 -8.49103 46.9891 -8.49066 -203.267 -66.6698 46.9888 -66.6699 -104.542 GPRESSURE: 503600 -171.953 -32.4177 81.508 96.7305 -119.706 -36.6085 -13.6047 -13.4993 -129.257 PRESSAVG: 503600 40.8274 3.97818 30.6387 3.97823 -56.2738 13.2839 30.6388 13.2839 0.451572 GPRESSAVG: 503600 40.4722 3.2429 30.7367 3.87027 -55.1174 13.4672 30.3839 10.8024 -0.531376 TIMING: 503600 CPU: 1500.72, 0.00292771/step Wall: 1500.72, 0.00292771/step, 3.65671 hours remaining, 205.960938 MB of memory in use. ENERGY: 503600 734.5328 2052.5776 1939.2473 120.5441 -206551.8772 17693.7930 0.0000 0.0000 34115.6605 -149895.5218 297.9405 -184011.1823 -149795.6120 297.9960 -171.2660 -140.3054 556989.7782 -4.9983 -5.0588 PRESSURE: 503800 7.01 -113.525 -167.497 -113.526 -215.845 -118.922 -167.496 -118.921 25.4573 GPRESSURE: 503800 25.8655 -180.037 -172.06 -74.3868 -178.273 -60.0962 -93.2828 -88.0733 64.5138 PRESSAVG: 503800 -46.4381 17.8165 7.98663 17.8165 51.5678 28.3399 7.98664 28.3399 -13.3323 GPRESSAVG: 503800 -46.6303 16.6427 11.1509 20.2065 49.3131 27.6736 6.57363 30.9592 -11.8684 TIMING: 503800 CPU: 1501.3, 0.00292947/step Wall: 1501.3, 0.00292947/step, 3.65875 hours remaining, 205.960938 MB of memory in use. ENERGY: 503800 751.7179 2033.4371 1911.0248 107.3647 -206876.1091 17983.3778 0.0000 0.0000 34154.7592 -149934.4276 298.2820 -184089.1868 -149832.5436 298.1560 -61.1258 -29.2979 557695.8082 -2.7342 -3.0619 PRESSURE: 504000 116.166 74.5476 -23.0645 74.5472 -38.6815 -72.4464 -23.0647 -72.4468 -321.155 GPRESSURE: 504000 127.075 97.9478 -8.80972 112.44 -14.2315 -64.7126 -116.023 -116.487 -265.861 PRESSAVG: 504000 25.572 1.32411 -40.8314 1.32408 27.1802 -17.386 -40.8315 -17.3861 -42.2697 GPRESSAVG: 504000 25.3216 2.05133 -43.5952 -0.913921 27.4494 -16.0758 -39.0196 -18.2162 -42.8502 TIMING: 504000 CPU: 1501.9, 0.00295493/step Wall: 1501.9, 0.00295493/step, 3.69038 hours remaining, 205.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 504000 763.4911 2086.4884 1968.3906 122.5163 -206632.2403 17846.0730 0.0000 0.0000 34004.4157 -149840.8652 296.9690 -183845.2809 -149739.9749 296.6385 -81.2234 -51.0057 556295.1292 3.4942 3.3069 PRESSURE: 504200 -157.033 -221.831 102.555 -221.833 98.9724 79.7402 102.554 79.7391 -126.719 GPRESSURE: 504200 -121.653 -225.919 102.569 -138.212 173.923 57.2742 36.1551 81.4331 -130.077 PRESSAVG: 504200 -33.7476 -11.2091 24.9044 -11.2091 4.20952 19.3442 24.9044 19.3442 7.81687 GPRESSAVG: 504200 -35.1715 -11.3066 25.5456 -10.725 4.78407 16.8275 25.1729 21.3306 8.41629 TIMING: 504200 CPU: 1502.48, 0.00293965/step Wall: 1502.48, 0.00293965/step, 3.67113 hours remaining, 205.960938 MB of memory in use. ENERGY: 504200 731.1390 2081.5265 1958.9926 101.7905 -206764.3153 17815.3633 0.0000 0.0000 34226.2464 -149849.2569 298.9063 -184075.5033 -149754.8577 298.2462 -61.5934 -25.9357 556633.2340 -7.2404 -7.3237 LDB: ============= START OF LOAD BALANCING ============== 1506.03 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1506.03 LDB: =============== DONE WITH MIGRATION ================ 1506.03 LDB: ============= START OF LOAD BALANCING ============== 1506.33 LDB: Largest compute 4796 load 0.028826 is 24.4% of average load 0.118067 LDB: Average compute 0.001745 is 1.5% of average load 0.118067 LDB: TIME 1506.33 LOAD: AVG 0.118067 MAX 0.201984 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.984 MB LDB: TIME 1506.33 LOAD: AVG 0.118067 MAX 0.201984 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.188 MB LDB: TIME 1506.33 LOAD: AVG 0.118067 MAX 0.201984 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.188 MB LDB: ============== END OF LOAD BALANCING =============== 1506.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1506.33 PRESSURE: 504400 -83.8126 58.5521 -17.3316 58.5518 -44.3446 60.5742 -17.333 60.5748 -32.8044 GPRESSURE: 504400 12.7768 128.427 -87.4443 -10.4043 -80.77 91.2246 46.4546 121.358 6.85547 PRESSAVG: 504400 25.5782 -4.6697 55.2356 -4.66969 29.1287 29.6235 55.2356 29.6235 -38.5645 GPRESSAVG: 504400 26.6663 -3.91844 54.2684 -4.94721 27.0993 27.9758 55.5541 29.4139 -38.1604 TIMING: 504400 CPU: 1503.08, 0.00300189/step Wall: 1503.08, 0.00300189/step, 3.74869 hours remaining, 206.664062 MB of memory in use. ENERGY: 504400 731.6451 2160.9663 1927.5735 116.8030 -206637.8328 17895.6396 0.0000 0.0000 33973.5073 -149831.6981 296.6991 -183805.2054 -149737.1347 298.1379 -53.6539 -20.3792 556906.7453 5.3808 5.2017 PRESSURE: 504600 148.779 5.30276 101.409 5.30289 181.428 -0.818213 101.411 -0.81855 54.1388 GPRESSURE: 504600 182.443 101.042 83.4596 -24.6789 197.561 24.9066 116.283 -1.34003 98.7628 PRESSAVG: 504600 -4.1571 -43.4629 38.9055 -43.4629 -48.5844 49.7433 38.9055 49.7434 16.0871 GPRESSAVG: 504600 -3.54032 -43.3142 36.2346 -42.6645 -46.3453 51.3874 38.6159 48.6027 13.7361 TIMING: 504600 CPU: 1503.68, 0.00295785/step Wall: 1503.68, 0.00295785/step, 3.69353 hours remaining, 206.664062 MB of memory in use. ENERGY: 504600 735.3465 2051.0226 1927.9940 114.4587 -206545.4770 17924.1100 0.0000 0.0000 34165.5124 -149627.0328 298.3759 -183792.5452 -149534.8071 297.6388 128.1153 159.5889 555686.5167 -12.2181 -12.0498 PRESSURE: 504800 -62.5953 61.0444 129.082 61.0444 155.393 -13.1477 129.082 -13.1476 268.833 GPRESSURE: 504800 -71.7841 63.738 101.248 -23.4145 238.87 -7.77033 138.083 43.3621 297.698 PRESSAVG: 504800 -96.9837 -5.17394 65.2017 -5.17392 64.8764 23.8758 65.2018 23.8757 77.6734 GPRESSAVG: 504800 -97.568 -5.09411 66.9476 -6.62392 64.8426 23.6809 64.4684 24.6631 78.4431 TIMING: 504800 CPU: 1504.26, 0.00294695/step Wall: 1504.26, 0.00294695/step, 3.67976 hours remaining, 206.664062 MB of memory in use. ENERGY: 504800 730.1786 2068.2584 1930.0739 103.8471 -206862.4999 18039.9865 0.0000 0.0000 34141.5704 -149848.5850 298.1668 -183990.1554 -149753.4231 297.9289 120.5436 154.9280 554796.5552 15.1887 15.2392 PRESSURE: 505000 -221.073 -165.293 8.56415 -165.292 -118.404 -45.5557 8.56466 -45.5561 156.678 GPRESSURE: 505000 -133.352 -105.605 -93.4045 -253.755 -78.4933 27.8394 -27.6154 -1.99635 151.359 PRESSAVG: 505000 -13.6014 -48.9933 58.0921 -48.9932 16.6649 -19.7868 58.0921 -19.7867 -1.66322 GPRESSAVG: 505000 -13.102 -49.7799 58.2248 -47.1975 16.4727 -20.0047 58.5429 -20.0752 -1.71724 TIMING: 505000 CPU: 1504.86, 0.00295392/step Wall: 1504.86, 0.00295392/step, 3.6883 hours remaining, 206.664062 MB of memory in use. ENERGY: 505000 690.9589 2039.8377 1962.7107 110.4182 -206173.2331 17670.1602 0.0000 0.0000 33816.2533 -149882.8940 295.3258 -183699.1473 -149783.3447 297.5606 -60.9333 -20.1620 557591.5843 0.4667 0.5512 PRESSURE: 505200 107.292 -47.8236 172.976 -47.8249 94.3936 55.5709 172.976 55.5706 83.4387 GPRESSURE: 505200 112.032 -143.553 221.155 -41.6912 168.451 102.674 122.183 -10.3793 109.751 PRESSAVG: 505200 -44.7244 -18.0519 -12.0803 -18.0519 -6.8249 -41.3381 -12.0803 -41.338 74.3089 GPRESSAVG: 505200 -45.9684 -19.5623 -9.97942 -18.0191 -6.45264 -41.368 -13.7879 -40.7221 75.3469 TIMING: 505200 CPU: 1505.45, 0.00296185/step Wall: 1505.45, 0.00296185/step, 3.69804 hours remaining, 206.664062 MB of memory in use. ENERGY: 505200 741.5049 2060.0105 1930.3282 116.8852 -206893.9893 17976.6118 0.0000 0.0000 34133.0365 -149935.6121 298.0923 -184068.6486 -149838.6015 297.3181 95.0414 130.0780 555512.4395 7.5865 7.6420 PRESSURE: 505400 36.4911 -99.6482 -44.4092 -99.6495 -102.426 157.718 -44.4108 157.72 -120.443 GPRESSURE: 505400 29.2973 -93.2739 -37.0916 -77.8171 -50.345 149.84 -89.9296 109.468 -70.197 PRESSAVG: 505400 29.1828 29.5964 21.0607 29.5964 24.4398 9.40798 21.0606 9.40799 -20.082 GPRESSAVG: 505400 29.5997 31.5642 19.8583 30.0347 24.3688 10.8321 23.2717 6.57296 -19.8725 TIMING: 505400 CPU: 1506.04, 0.0029447/step Wall: 1506.04, 0.0029447/step, 3.67645 hours remaining, 206.664062 MB of memory in use. ENERGY: 505400 724.3956 2082.2171 1956.9804 114.3911 -206514.5221 17755.1165 0.0000 0.0000 34150.1192 -149731.3022 298.2415 -183881.4214 -149647.7143 297.8474 -62.1260 -30.4149 556027.7903 11.1802 11.3653 PRESSURE: 505600 -136.114 163.317 60.6693 163.318 -245.579 -163.781 60.6693 -163.781 43.0861 GPRESSURE: 505600 -84.8785 162.291 -22.6478 135.595 -146.956 -196.582 108.097 -111.157 3.87439 PRESSAVG: 505600 15.8412 34.9507 49.1451 34.9507 -120.671 -25.7668 49.1452 -25.7667 98.0092 GPRESSAVG: 505600 15.9097 31.6147 49.2201 36.1553 -120.647 -25.1118 47.7487 -23.6015 98.051 TIMING: 505600 CPU: 1506.63, 0.00294996/step Wall: 1506.63, 0.00294996/step, 3.68286 hours remaining, 206.664062 MB of memory in use. ENERGY: 505600 737.7556 2056.1546 1976.2477 101.2008 -206435.2216 17762.2532 0.0000 0.0000 34130.8076 -149670.8021 298.0728 -183801.6097 -149571.9295 297.4238 -112.8691 -75.9867 557155.6800 -2.2735 -2.2289 PRESSURE: 505800 -15.5446 -235.843 56.5338 -235.843 -161.086 119.661 56.5344 119.662 -110.128 GPRESSURE: 505800 11.3639 -177.007 -18.0062 -253.182 -92.4768 121.512 88.1673 112.006 -104.024 PRESSAVG: 505800 41.8081 -4.87383 2.15437 -4.87375 -21.4051 -24.6184 2.15434 -24.6184 -7.22027 GPRESSAVG: 505800 42.0185 -1.05757 0.986278 -6.1376 -21.8993 -26.0788 2.93413 -24.735 -7.08733 TIMING: 505800 CPU: 1507.22, 0.00295431/step Wall: 1507.22, 0.00295431/step, 3.68812 hours remaining, 206.664062 MB of memory in use. ENERGY: 505800 729.9616 2129.6757 1912.0916 113.3467 -206492.0013 17730.2001 0.0000 0.0000 34252.4552 -149624.2704 299.1352 -183876.7256 -149520.7137 298.1171 -95.5861 -61.7122 556194.2118 4.3942 4.3440 PRESSURE: 506000 -137.553 -101.366 -78.9661 -101.365 -267.033 97.9141 -78.9661 97.9134 -167.923 GPRESSURE: 506000 -80.9234 -71.855 -69.5351 -79.2804 -229.747 22.8643 -59.1802 187.49 -178.083 PRESSAVG: 506000 -10.9282 -13.117 33.2473 -13.1169 0.785598 14.5724 33.2473 14.5724 21.6558 GPRESSAVG: 506000 -11.8377 -12.5173 33.4118 -13.7015 0.832119 14.9765 33.5007 15.3726 22.4334 TIMING: 506000 CPU: 1507.81, 0.00293809/step Wall: 1507.81, 0.00293809/step, 3.66772 hours remaining, 206.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 506000 762.6251 2108.9261 1913.5977 107.9152 -205868.6239 17458.7402 0.0000 0.0000 34108.3241 -149408.4955 297.8765 -183516.8196 -149312.5681 298.5058 -190.8366 -162.9180 557215.1160 3.8377 3.8093 PRESSURE: 506200 -23.3752 290.315 75.0163 290.315 -84.813 196.556 75.0167 196.556 -4.34502 GPRESSURE: 506200 33.3824 339.653 42.2342 164.169 -47.1162 149.118 -38.9394 209.834 -3.24062 PRESSAVG: 506200 -20.6062 19.6098 51.993 19.6097 50.7077 37.1927 51.993 37.1927 -50.6581 GPRESSAVG: 506200 -19.945 17.858 52.8947 20.3099 50.1259 36.8357 51.2731 36.2183 -51.0602 TIMING: 506200 CPU: 1508.39, 0.00292452/step Wall: 1508.39, 0.00292452/step, 3.65061 hours remaining, 206.664062 MB of memory in use. ENERGY: 506200 747.0896 2083.6902 1923.9813 111.2775 -206247.6337 17744.4183 0.0000 0.0000 34359.6114 -149277.5655 300.0710 -183637.1769 -149180.1675 299.2448 -37.5111 -5.6581 555319.1584 -6.8522 -6.9598 PRESSURE: 506400 -190.474 173.71 -76.1481 173.711 25.5437 136.314 -76.147 136.315 66.6287 GPRESSURE: 506400 -166.345 152.946 -42.8251 128.12 -1.01532 119.366 -127.173 76.6113 153.172 PRESSAVG: 506400 22.568 23.8274 -30.0765 23.8275 -4.92494 -9.08016 -30.0766 -9.08017 -14.4093 GPRESSAVG: 506400 21.7036 24.0114 -29.1032 24.4485 -5.20937 -10.9302 -30.9137 -7.6207 -13.7921 TIMING: 506400 CPU: 1508.98, 0.00292843/step Wall: 1508.98, 0.00292843/step, 3.65533 hours remaining, 206.664062 MB of memory in use. ENERGY: 506400 752.0153 2065.6772 1920.4846 106.3258 -206189.6097 17877.2622 0.0000 0.0000 34323.0711 -149144.7734 299.7519 -183467.8445 -149044.8976 299.1973 -32.7671 -4.7295 557674.6273 1.0779 0.9007 PRESSURE: 506600 -234.085 -14.2017 -7.2756 -14.2032 -86.2281 -84.1781 -7.27585 -84.1769 -184.542 GPRESSURE: 506600 -216.472 59.3036 56.6992 -9.91308 -65.541 -94.5269 -51.2176 -80.1793 -129.135 PRESSAVG: 506600 -0.656276 5.98643 9.5926 5.98642 3.14281 14.2857 9.59258 14.2857 20.1926 GPRESSAVG: 506600 -0.588508 6.69913 8.89457 5.03771 4.38015 14.8622 11.0222 15.1863 19.121 TIMING: 506600 CPU: 1509.57, 0.00295602/step Wall: 1509.57, 0.00295602/step, 3.6896 hours remaining, 206.664062 MB of memory in use. ENERGY: 506600 764.8911 2129.4938 1928.8158 116.1251 -206045.4180 17546.6636 0.0000 0.0000 34310.1725 -149249.2562 299.6393 -183559.4287 -149145.1306 299.1652 -168.2850 -137.0494 556390.7246 7.5597 7.6375 PRESSURE: 506800 -144.41 -85.662 -103.396 -85.6611 -79.645 -63.93 -103.397 -63.9282 -52.129 GPRESSURE: 506800 -106.264 -111.619 -19.0079 -99.7424 -15.2084 -165.409 -42.6085 -20.5744 -54.6041 PRESSAVG: 506800 24.0113 -0.46864 -95.5878 -0.468693 -44.9364 -30.2491 -95.5879 -30.2491 16.4719 GPRESSAVG: 506800 25.2183 -1.47388 -95.2121 0.34972 -46.5143 -29.0181 -95.2689 -32.2365 17.3083 TIMING: 506800 CPU: 1510.16, 0.00294662/step Wall: 1510.16, 0.00294662/step, 3.6777 hours remaining, 206.664062 MB of memory in use. ENERGY: 506800 752.3714 2152.7357 1930.3897 115.2637 -206146.8877 17589.9182 0.0000 0.0000 34472.9231 -149133.2858 301.0606 -183606.2089 -149036.1695 299.5492 -92.0614 -58.6922 557664.7951 -1.4844 -1.3293 PRESSURE: 507000 64.1335 -126.354 183.043 -126.355 29.6749 -24.6451 183.042 -24.6436 -142.439 GPRESSURE: 507000 99.6923 -233.722 164.396 14.6794 6.55026 5.87585 235.677 14.9818 -57.4636 PRESSAVG: 507000 -1.24624 -5.5504 14.1563 -5.55032 11.7407 5.30904 14.1564 5.30914 -13.847 GPRESSAVG: 507000 -1.11977 -6.668 13.461 -4.83784 12.1758 6.1474 13.5584 5.29464 -14.3252 TIMING: 507000 CPU: 1510.74, 0.00292721/step Wall: 1510.74, 0.00292721/step, 3.65332 hours remaining, 206.664062 MB of memory in use. ENERGY: 507000 739.3332 2125.7887 1943.7063 118.2494 -206164.6444 17703.2129 0.0000 0.0000 34373.1494 -149161.2045 300.1893 -183534.3539 -149060.1704 299.8332 -16.2102 16.2596 556042.4090 -1.1175 -1.0897 PRESSURE: 507200 200.778 -52.9998 264.665 -53.0005 -6.47767 -56.3188 264.666 -56.3194 -217.593 GPRESSURE: 507200 247.336 -58.2825 196.092 32.5455 22.8952 -84.9678 244.239 -66.6092 -187.615 PRESSAVG: 507200 91.57 27.6427 19.0749 27.6427 36.0681 1.27019 19.0749 1.27023 -62.7057 GPRESSAVG: 507200 91.0214 30.8897 20.0976 26.2769 37.3204 0.154559 19.471 1.41169 -63.1846 TIMING: 507200 CPU: 1511.33, 0.00293502/step Wall: 1511.33, 0.00293502/step, 3.6629 hours remaining, 206.664062 MB of memory in use. ENERGY: 507200 736.6476 2131.3075 1961.6624 99.6030 -206390.3179 17808.9118 0.0000 0.0000 34343.6992 -149308.4864 299.9321 -183652.1856 -149207.3763 299.6172 -7.7641 27.5388 557669.4465 21.6441 21.7191 PRESSURE: 507400 -25.1023 -51.2837 36.7834 -51.2834 -155.275 -1.86857 36.7823 -1.8676 138.148 GPRESSURE: 507400 32.754 -32.376 9.74895 -90.5093 -105.249 -16.4302 20.1332 38.5364 134.314 PRESSAVG: 507400 37.665 -27.2115 48.6427 -27.2114 19.416 7.12576 48.6427 7.12576 -60.6306 GPRESSAVG: 507400 38.9134 -28.4611 46.3696 -26.429 18.1819 7.0456 48.0926 6.8276 -60.2482 TIMING: 507400 CPU: 1511.91, 0.00292812/step Wall: 1511.91, 0.00292812/step, 3.65413 hours remaining, 206.664062 MB of memory in use. ENERGY: 507400 727.0041 2168.6371 1952.8140 109.3281 -206087.1602 17691.0287 0.0000 0.0000 34068.2753 -149370.0729 297.5267 -183438.3482 -149273.5611 299.2854 -14.0766 20.6063 556657.0112 -1.1832 -1.0510 PRESSURE: 507600 176.035 -17.5468 160.677 -17.5469 114.046 26.528 160.678 26.5276 -45.6623 GPRESSURE: 507600 247.567 40.8003 125.22 -130.08 121.828 -33.9245 142.426 20.1474 -36.6268 PRESSAVG: 507600 59.2515 25.8676 -10.8673 25.8675 -0.914857 -28.7542 -10.8672 -28.7541 -13.371 GPRESSAVG: 507600 59.2183 25.0161 -10.8836 24.4051 -1.56631 -28.4891 -8.14532 -28.231 -12.9781 TIMING: 507600 CPU: 1512.51, 0.00296181/step Wall: 1512.51, 0.00296181/step, 3.69601 hours remaining, 206.664062 MB of memory in use. ENERGY: 507600 713.8227 2121.0061 1949.6630 119.2872 -206255.3099 17954.8742 0.0000 0.0000 34157.8738 -149238.7829 298.3092 -183396.6567 -149146.6462 298.8015 81.4728 110.9227 558350.6835 14.9885 14.8913 PRESSURE: 507800 -38.4871 -52.8048 13.8227 -52.8051 -284.779 58.9886 13.8228 58.9901 -285.135 GPRESSURE: 507800 75.8305 -60.5696 49.2845 -129.641 -320.396 65.839 -24.6324 -53.6109 -264.198 PRESSAVG: 507800 -32.6807 -43.4359 -1.89118 -43.4359 -14.1518 -68.249 -1.89121 -68.249 6.74836 GPRESSAVG: 507800 -33.1249 -44.2138 1.09317 -42.1545 -13.1395 -69.9528 -4.48152 -67.3028 5.84047 TIMING: 507800 CPU: 1513.1, 0.0029632/step Wall: 1513.1, 0.0029632/step, 3.69758 hours remaining, 206.664062 MB of memory in use. ENERGY: 507800 755.7822 2112.0871 1965.7889 126.5801 -205955.8795 17548.5172 0.0000 0.0000 34348.4808 -149098.6432 299.9738 -183447.1240 -149003.6627 299.3200 -202.8002 -169.5880 560203.9968 -13.3614 -13.4747 PRESSURE: 508000 -97.9257 -156.709 7.20181 -156.71 -50.8438 -38.4288 7.20136 -38.4291 66.4972 GPRESSURE: 508000 -105.357 -126.03 -34.7881 -193.817 -75.8614 8.88217 -23.9184 17.1344 191.534 PRESSAVG: 508000 -37.6504 -25.4952 -14.3297 -25.4952 9.5412 -41.5479 -14.3298 -41.5479 18.3997 GPRESSAVG: 508000 -38.325 -24.4158 -16.0715 -27.0503 8.4397 -39.4708 -12.593 -43.0514 20.0131 TIMING: 508000 CPU: 1513.69, 0.00296432/step Wall: 1513.69, 0.00296432/step, 3.69882 hours remaining, 206.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 508000 728.0649 2145.0498 1939.9517 119.1942 -206385.4728 17951.8000 0.0000 0.0000 34482.8501 -149018.5622 301.1473 -183501.4123 -148918.9000 300.3440 -27.4241 3.4384 558773.8639 -3.2365 -3.2907 PRESSURE: 508200 -351.212 13.9315 -163.326 13.932 -197.302 -105.953 -163.326 -105.954 -109.598 GPRESSURE: 508200 -300.026 21.7257 -129.556 -38.5642 -163.307 -49.4028 -181.17 -131.297 -94.4802 PRESSAVG: 508200 -16.4904 4.762 -43.1764 4.76207 -49.4095 8.76761 -43.1764 8.76759 46.0522 GPRESSAVG: 508200 -15.7978 2.92882 -41.1869 5.58749 -48.6651 8.18191 -44.9142 10.4201 44.453 TIMING: 508200 CPU: 1514.29, 0.00297974/step Wall: 1514.29, 0.00297974/step, 3.71788 hours remaining, 206.664062 MB of memory in use. ENERGY: 508200 769.4241 2118.3335 1938.8329 104.1285 -205686.0165 17436.9975 0.0000 0.0000 34120.5520 -149197.7480 297.9833 -183318.3000 -149113.7317 299.8577 -219.3707 -185.9377 558058.5066 -6.6159 -6.6700 LDB: ============= START OF LOAD BALANCING ============== 1517.84 LDB: ============== END OF LOAD BALANCING =============== 1517.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1517.84 LDB: ============= START OF LOAD BALANCING ============== 1518.14 LDB: Largest compute 4796 load 0.028585 is 24.2% of average load 0.118066 LDB: Average compute 0.001752 is 1.5% of average load 0.118066 LDB: TIME 1518.14 LOAD: AVG 0.118066 MAX 0.203744 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.473 MB LDB: TIME 1518.14 LOAD: AVG 0.118066 MAX 0.203744 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.676 MB LDB: TIME 1518.14 LOAD: AVG 0.118066 MAX 0.203744 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.676 MB LDB: ============== END OF LOAD BALANCING =============== 1518.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1518.14 PRESSURE: 508400 4.63299 -181.263 71.4589 -181.262 37.2037 102.116 71.4586 102.116 -329.222 GPRESSURE: 508400 52.8 -54.7226 20.7987 -247.205 41.9106 73.1306 75.335 104.095 -289.37 PRESSAVG: 508400 -46.2256 41.7861 -2.81213 41.7862 51.6083 12.1651 -2.81215 12.1653 23.2227 GPRESSAVG: 508400 -45.8901 44.0993 -3.72689 40.2994 50.9234 13.1747 -1.89118 10.1936 23.9059 TIMING: 508400 CPU: 1514.9, 0.00303302/step Wall: 1514.9, 0.00303302/step, 3.7842 hours remaining, 207.453125 MB of memory in use. ENERGY: 508400 725.0244 2133.8219 1945.6683 116.5888 -206098.9700 17467.9439 0.0000 0.0000 34430.3141 -149279.6086 300.6885 -183709.9227 -149183.8748 299.9615 -95.7951 -64.8866 556758.0818 9.5352 9.6464 PRESSURE: 508600 -88.4457 -59.0169 199.12 -59.0171 11.3133 -15.6309 199.12 -15.6305 13.7218 GPRESSURE: 508600 0.801675 34.4613 168.223 -61.5935 15.1101 47.486 206.046 -56.1699 13.5929 PRESSAVG: 508600 28.5379 -29.8954 33.0646 -29.8955 38.3927 0.366243 33.0646 0.366205 -59.2688 GPRESSAVG: 508600 28.0782 -28.6958 32.8979 -28.2795 38.7952 -2.03346 34.6144 2.37528 -59.7675 TIMING: 508600 CPU: 1515.5, 0.00300876/step Wall: 1515.5, 0.00300876/step, 3.75377 hours remaining, 207.453125 MB of memory in use. ENERGY: 508600 741.1841 2094.5035 1958.3556 106.1540 -206165.5597 17761.2563 0.0000 0.0000 34241.8656 -149262.2405 299.0427 -183504.1061 -149161.0800 299.7166 -21.1369 9.8349 556164.6811 2.5540 2.3687 PRESSURE: 508800 -397.267 28.3117 143.13 28.3125 -337.274 10.0059 143.131 10.0051 -164.749 GPRESSURE: 508800 -397.483 21.5076 109.27 39.1117 -296.306 -69.7553 115.815 -106.528 -117.914 PRESSAVG: 508800 25.7393 -6.99105 61.579 -6.99101 2.55124 3.21825 61.579 3.21825 -70.2478 GPRESSAVG: 508800 25.2612 -8.08225 61.5334 -7.22756 2.44408 2.6297 60.5205 3.57146 -70.0349 TIMING: 508800 CPU: 1516.09, 0.00295847/step Wall: 1516.09, 0.00295847/step, 3.69085 hours remaining, 207.453125 MB of memory in use. ENERGY: 508800 797.3942 2061.0811 1966.8794 103.2134 -205811.7845 17486.1575 0.0000 0.0000 34147.5019 -149249.5570 298.2186 -183397.0589 -149159.6545 299.2638 -299.7634 -270.5678 559357.2392 -13.9858 -14.1099 PRESSURE: 509000 5.21668 126.59 -16.0433 126.59 42.2189 -156.328 -16.0421 -156.329 -73.0286 GPRESSURE: 509000 30.4889 2.51251 25.3604 141.054 56.952 -170.851 -3.82448 -190.8 -32.1158 PRESSAVG: 509000 -33.0095 -19.0081 33.465 -19.0082 -33.7867 77.2273 33.4649 77.2272 25.1535 GPRESSAVG: 509000 -33.9979 -22.3432 34.8732 -16.3119 -34.2685 77.7405 33.2327 79.0295 26.735 TIMING: 509000 CPU: 1516.68, 0.00294995/step Wall: 1516.68, 0.00294995/step, 3.68006 hours remaining, 207.453125 MB of memory in use. ENERGY: 509000 735.4554 2114.1103 1950.0403 112.6309 -206108.7067 17847.9917 0.0000 0.0000 33953.7786 -149394.6995 296.5268 -183348.4781 -149298.7602 298.7264 -8.5310 18.4417 558314.2485 -13.8809 -13.8438 PRESSURE: 509200 109.819 -47.2734 60.6622 -47.2742 -243.882 94.5223 60.6603 94.5205 -9.32021 GPRESSURE: 509200 154.126 -93.8642 46.4456 -4.30131 -208.956 101.267 62.7864 134.358 2.62455 PRESSAVG: 509200 -32.2778 -5.26636 62.1639 -5.26631 17.6582 19.7203 62.1639 19.7202 44.2152 GPRESSAVG: 509200 -29.9635 -2.15654 60.7979 -8.5414 18.7866 22.3348 62.2051 17.37 40.9139 TIMING: 509200 CPU: 1517.27, 0.00293954/step Wall: 1517.27, 0.00293954/step, 3.66692 hours remaining, 207.453125 MB of memory in use. ENERGY: 509200 740.7635 2092.1417 1960.3682 124.9226 -206133.5779 17800.4100 0.0000 0.0000 33996.4692 -149418.5027 296.8996 -183414.9719 -149322.8504 298.5535 -47.7945 -17.4019 558940.3866 9.8652 9.9124 PRESSURE: 509400 155.08 -66.9247 168.9 -66.9245 44.4362 90.9974 168.901 90.9947 171.761 GPRESSURE: 509400 157.758 -127.061 221.579 8.67575 61.7736 72.4201 140.49 36.9451 243.273 PRESSAVG: 509400 -28.252 4.05615 24.5429 4.05614 -57.4671 0.388603 24.543 0.388525 46.4602 GPRESSAVG: 509400 -29.8216 2.66467 25.3256 5.56507 -58.2801 -0.190547 25.8657 -0.128804 49.1209 TIMING: 509400 CPU: 1517.86, 0.00294446/step Wall: 1517.86, 0.00294446/step, 3.67289 hours remaining, 207.453125 MB of memory in use. ENERGY: 509400 748.1507 2063.0983 1949.5722 129.8116 -206638.3868 18075.9989 0.0000 0.0000 34164.6208 -149507.1344 298.3681 -183671.7552 -149415.2617 298.3989 123.7592 154.2682 557748.3684 -13.0863 -12.9936 PRESSURE: 509600 -78.3946 -52.6815 6.60834 -52.6825 -27.7886 2.83548 6.60848 2.83534 -344.166 GPRESSURE: 509600 -76.8168 -94.5952 53.5357 -36.3493 19.5219 -54.877 -49.4977 50.0289 -289.766 PRESSAVG: 509600 55.6702 -23.7179 20.8833 -23.7179 -55.0986 -4.63502 20.8834 -4.63505 8.93065 GPRESSAVG: 509600 54.478 -22.5603 18.474 -25.9492 -53.8854 -6.45323 21.1275 -3.98336 8.08778 TIMING: 509600 CPU: 1518.45, 0.00294879/step Wall: 1518.45, 0.00294879/step, 3.67813 hours remaining, 207.453125 MB of memory in use. ENERGY: 509600 753.2678 2098.9824 1923.8117 102.8892 -206406.8472 17793.1959 0.0000 0.0000 34109.4928 -149625.2074 297.8867 -183734.7002 -149535.3062 297.7507 -150.1164 -115.6871 558537.4749 3.1674 2.8935 PRESSURE: 509800 56.4398 58.3745 -221.313 58.3735 66.9473 -49.7203 -221.314 -49.7205 135.338 GPRESSURE: 509800 39.9558 14.573 -156.387 196.144 110.359 12.0677 -235.533 -93.9862 199.867 PRESSAVG: 509800 0.50622 6.47205 -39.4533 6.47205 -3.59889 39.3123 -39.4532 39.3122 21.9898 GPRESSAVG: 509800 0.96952 6.76588 -38.6869 6.78567 -3.73278 38.8236 -39.7778 39.4786 21.9811 TIMING: 509800 CPU: 1519.04, 0.00295825/step Wall: 1519.04, 0.00295825/step, 3.68976 hours remaining, 207.453125 MB of memory in use. ENERGY: 509800 705.1433 2161.9731 1939.6071 115.6467 -206549.8201 17894.3161 0.0000 0.0000 34237.7457 -149495.3882 299.0067 -183733.1339 -149395.0794 298.4065 86.2417 116.7273 557800.4857 6.2990 6.4059 PRESSURE: 510000 105.112 -119.307 -207.981 -119.307 -34.1551 -39.7016 -207.981 -39.7005 262.78 GPRESSURE: 510000 101.923 -86.7393 -181.517 -171.165 71.3485 -38.5752 -274.15 -130.845 265.246 PRESSAVG: 510000 -35.5907 -6.00596 -1.76328 -6.006 39.3052 -21.8541 -1.7633 -21.854 -29.2935 GPRESSAVG: 510000 -36.1624 -6.61323 -0.573174 -5.1368 39.2302 -21.481 -2.70782 -23.331 -29.0179 TIMING: 510000 CPU: 1519.63, 0.00297657/step Wall: 1519.63, 0.00297657/step, 3.71245 hours remaining, 207.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 510000 718.5627 2098.3988 1937.2306 112.8772 -206636.5042 17976.4460 0.0000 0.0000 34451.0352 -149341.9537 300.8695 -183792.9889 -149245.1825 299.2992 111.2458 146.1726 556827.5310 -8.5263 -8.6500 PRESSURE: 510200 -13.655 -135.376 -76.3559 -135.375 -210.101 127.352 -76.356 127.352 -155.005 GPRESSURE: 510200 -2.63267 -191.312 8.59312 -48.3836 -166.696 200.884 -125.722 174.735 -104.304 PRESSAVG: 510200 -1.00564 -62.5103 -71.0245 -62.5103 25.5625 40.7148 -71.0245 40.7147 27.4781 GPRESSAVG: 510200 -1.39031 -62.7686 -72.6826 -63.2719 24.8496 41.2268 -70.1377 42.4408 27.8095 TIMING: 510200 CPU: 1520.22, 0.00294897/step Wall: 1520.22, 0.00294897/step, 3.67785 hours remaining, 207.453125 MB of memory in use. ENERGY: 510200 770.5150 2178.1415 1941.4930 119.8711 -206290.0714 17705.6143 0.0000 0.0000 34290.6113 -149283.8252 299.4684 -183574.4365 -149182.7285 299.2416 -126.2537 -91.2107 558262.4307 17.3450 17.0896 PRESSURE: 510400 20.6462 -219.281 50.0077 -219.281 -78.4083 -61.1367 50.0081 -61.1362 153.682 GPRESSURE: 510400 77.5575 -125.576 23.3267 -222.853 -39.822 -151.961 -65.0488 -37.0581 153.819 PRESSAVG: 510400 -29.4636 -19.9051 -39.494 -19.9051 -8.80895 -21.3427 -39.494 -21.3427 19.9626 GPRESSAVG: 510400 -28.0093 -18.7532 -38.0689 -21.0091 -8.03155 -21.3674 -40.0362 -22.3547 17.7105 TIMING: 510400 CPU: 1520.81, 0.00295132/step Wall: 1520.81, 0.00295132/step, 3.68062 hours remaining, 207.453125 MB of memory in use. ENERGY: 510400 744.7640 2162.9494 1903.5799 107.5012 -206261.3654 17845.6523 0.0000 0.0000 34287.6200 -149209.2985 299.4423 -183496.9186 -149118.0519 299.0424 31.9732 63.8515 558253.0340 -6.1033 -6.1101 PRESSURE: 510600 304.019 -10.14 67.8266 -10.1393 283.039 -15.8613 67.8269 -15.8623 20.1653 GPRESSURE: 510600 283.185 42.5224 63.1775 -63.9186 305.305 -41.8565 -57.1344 -0.318633 113.128 PRESSAVG: 510600 -11.5622 -42.1664 -19.8063 -42.1665 6.78437 -8.35329 -19.8062 -8.35333 20.9948 GPRESSAVG: 510600 -12.9767 -42.7708 -19.7553 -40.7502 6.47793 -7.04 -18.1076 -6.51013 21.908 TIMING: 510600 CPU: 1521.41, 0.00296511/step Wall: 1521.41, 0.00296511/step, 3.69765 hours remaining, 207.453125 MB of memory in use. ENERGY: 510600 691.2955 2187.7830 1970.0942 115.7217 -206579.1380 18110.6400 0.0000 0.0000 34328.3978 -149175.2059 299.7984 -183503.6037 -149076.1196 299.1286 202.4078 233.8726 558223.8936 5.4057 5.1364 PRESSURE: 510800 210.697 -9.14661 -99.0622 -9.14707 79.2904 -27.0721 -99.0616 -27.0719 -58.3662 GPRESSURE: 510800 233.631 58.9365 -186.52 -79.8296 113.968 -36.7715 -41.989 -45.4534 -24.1812 PRESSAVG: 510800 6.8154 -10.5421 20.1521 -10.5422 31.4728 33.1667 20.1521 33.1668 -51.448 GPRESSAVG: 510800 7.32889 -11.6614 19.6671 -10.1401 30.502 31.2626 18.5994 32.9705 -51.1809 TIMING: 510800 CPU: 1521.99, 0.00294582/step Wall: 1521.99, 0.00294582/step, 3.67344 hours remaining, 207.453125 MB of memory in use. ENERGY: 510800 771.0368 2138.6038 1970.4713 119.8281 -206324.7296 17988.6204 0.0000 0.0000 34168.0393 -149168.1299 298.3980 -183336.1692 -149068.3655 299.0199 77.2070 107.8060 557435.6444 -4.3866 -4.4500 PRESSURE: 511000 252.486 56.8021 -52.7774 56.802 -71.1574 -120.189 -52.778 -120.189 -370.192 GPRESSURE: 511000 232.773 44.2965 -86.1455 21.4907 -30.8808 -114.848 -133.567 -118.864 -300.02 PRESSAVG: 511000 -26.9853 -46.4172 -45.6356 -46.4172 36.4455 40.6296 -45.6356 40.6297 -30.875 GPRESSAVG: 511000 -26.1493 -46.2179 -45.9636 -46.2551 36.0482 41.0961 -46.2934 40.5059 -31.8274 TIMING: 511000 CPU: 1522.58, 0.00295071/step Wall: 1522.58, 0.00295071/step, 3.67937 hours remaining, 207.453125 MB of memory in use. ENERGY: 511000 751.0615 2107.6055 1921.1704 112.1601 -206103.5098 17787.7528 0.0000 0.0000 34273.0904 -149150.6690 299.3154 -183423.7594 -149059.2251 298.9844 -62.9547 -32.7094 559656.9000 -7.1383 -7.3095 PRESSURE: 511200 116.776 40.5496 -1.17558 40.5498 -10.8699 104.445 -1.17558 104.446 -101.96 GPRESSURE: 511200 122.814 82.4933 10.0496 14.4181 45.4385 136.36 74.3819 103.979 -65.2272 PRESSAVG: 511200 96.2207 25.0705 40.5371 25.0706 -19.2947 4.70383 40.5371 4.70389 -59.6055 GPRESSAVG: 511200 94.4354 26.6069 42.2703 24.8375 -17.821 5.38357 41.7764 3.94569 -58.6255 TIMING: 511200 CPU: 1523.17, 0.00294598/step Wall: 1523.17, 0.00294598/step, 3.6733 hours remaining, 207.453125 MB of memory in use. ENERGY: 511200 725.3340 2094.7769 1928.1056 107.9893 -206220.4653 17716.3764 0.0000 0.0000 34375.1220 -149272.7610 300.2065 -183647.8831 -149176.7977 299.5292 1.3156 34.3419 558409.5241 5.7735 5.9963 PRESSURE: 511400 19.7557 -126.039 217.088 -126.039 -228.627 -37.4005 217.089 -37.3992 45.1734 GPRESSURE: 511400 -7.51513 -10.7091 174.519 -179.569 -202.048 -15.7755 242.463 -14.7175 145.33 PRESSAVG: 511400 -3.99618 5.1906 2.37384 5.19062 -23.9744 -3.46083 2.37384 -3.46084 -22.8292 GPRESSAVG: 511400 -3.74449 4.36845 2.0812 6.37005 -24.6971 -3.83718 0.128299 -2.55122 -22.5986 TIMING: 511400 CPU: 1523.76, 0.00294613/step Wall: 1523.76, 0.00294613/step, 3.67333 hours remaining, 207.453125 MB of memory in use. ENERGY: 511400 775.4267 2114.4648 1925.7822 112.5643 -206108.8218 17706.8096 0.0000 0.0000 34053.5733 -149420.2008 297.3983 -183473.7741 -149328.7490 298.8303 -54.5659 -21.4108 558691.3206 -16.9333 -17.0134 PRESSURE: 511600 -16.398 25.843 68.6516 25.8441 -255.379 63.7584 68.6512 63.7579 -205.147 GPRESSURE: 511600 15.5559 -10.8681 72.0384 126.923 -212.15 58.2923 -0.358887 133.075 -190.156 PRESSAVG: 511600 12.778 38.3814 12.5897 38.3814 -58.5705 24.1219 12.5898 24.1219 -16.0196 GPRESSAVG: 511600 12.2822 40.166 13.1583 36.4868 -57.9483 24.39 13.1191 24.4058 -16.0952 TIMING: 511600 CPU: 1524.35, 0.00294613/step Wall: 1524.35, 0.00294613/step, 3.67316 hours remaining, 207.453125 MB of memory in use. ENERGY: 511600 787.6593 2068.1463 1949.3268 114.5603 -206230.5948 17972.1468 0.0000 0.0000 33920.3215 -149418.4339 296.2346 -183338.7554 -149326.7364 298.2086 -158.9747 -128.9167 558477.0647 -20.6041 -20.5871 PRESSURE: 511800 -123.132 24.802 160.13 24.8009 -113.239 185.607 160.13 185.607 -134.795 GPRESSURE: 511800 -38.6907 35.4141 152.904 12.0447 -86.7577 180.3 155.444 153.319 -140.764 PRESSAVG: 511800 35.2481 -15.0561 -0.810035 -15.0562 -41.7088 47.6741 -0.810031 47.6741 -23.2067 GPRESSAVG: 511800 38.1373 -16.981 -2.64831 -13.6437 -42.9508 46.1916 2.28809 47.3559 -24.4386 TIMING: 511800 CPU: 1524.95, 0.00296947/step Wall: 1524.95, 0.00296947/step, 3.70211 hours remaining, 207.453125 MB of memory in use. ENERGY: 511800 716.7466 2059.8180 1922.5880 106.3476 -206003.6490 17462.9823 0.0000 0.0000 34369.8211 -149365.3453 300.1602 -183735.1664 -149269.4061 298.9107 -123.7218 -88.7373 558104.2392 -9.8891 -9.7507 PRESSURE: 512000 -237.175 125.126 -8.81678 125.126 159.877 -36.0613 -8.81751 -36.0612 -490.077 GPRESSURE: 512000 -221.951 104.458 52.0079 140.006 86.6501 -0.183866 -7.01429 -85.7305 -337.27 PRESSAVG: 512000 -21.723 -17.4266 -52.4937 -17.4266 24.054 77.6343 -52.4936 77.6345 -29.953 GPRESSAVG: 512000 -23.514 -17.7759 -50.3365 -20.2164 24.3514 77.9371 -54.8448 77.2127 -28.3294 TIMING: 512000 CPU: 1525.54, 0.00295835/step Wall: 1525.54, 0.00295835/step, 3.68808 hours remaining, 207.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 512000 756.8803 2109.1807 1937.0218 108.5717 -206080.0846 17547.3772 0.0000 0.0000 34203.0114 -149418.0416 298.7034 -183621.0530 -149321.2709 298.9961 -189.1249 -157.5237 556723.1328 -9.2074 -9.1640 PRESSURE: 512200 65.5474 59.7007 132.701 59.6998 294.069 -62.0215 132.701 -62.0218 126.941 GPRESSURE: 512200 118.008 89.9562 110.7 31.2857 389.312 -120.365 119.17 21.5265 76.596 PRESSAVG: 512200 -7.52158 -32.4478 20.0903 -32.4479 40.3773 17.3942 20.0901 17.3942 -21.5695 GPRESSAVG: 512200 -8.20686 -31.2398 19.2388 -29.8065 41.3237 18.9825 22.9728 18.6588 -21.6275 TIMING: 512200 CPU: 1526.13, 0.00296817/step Wall: 1526.13, 0.00296817/step, 3.70015 hours remaining, 207.453125 MB of memory in use. ENERGY: 512200 757.5459 2094.3560 1929.3347 116.6227 -206350.0919 17898.1101 0.0000 0.0000 34036.1683 -149517.9543 297.2463 -183554.1226 -149416.9661 298.4091 162.1857 194.6389 556974.5324 3.7621 3.8298 LDB: ============= START OF LOAD BALANCING ============== 1529.68 LDB: ============== END OF LOAD BALANCING =============== 1529.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1529.68 LDB: ============= START OF LOAD BALANCING ============== 1529.97 LDB: Largest compute 4796 load 0.028437 is 24.1% of average load 0.117909 LDB: Average compute 0.001742 is 1.5% of average load 0.117909 LDB: TIME 1529.98 LOAD: AVG 0.117909 MAX 0.200848 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.484 MB LDB: TIME 1529.98 LOAD: AVG 0.117909 MAX 0.200848 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.484 MB LDB: TIME 1529.98 LOAD: AVG 0.117909 MAX 0.200848 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.484 MB LDB: ============== END OF LOAD BALANCING =============== 1529.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1529.98 PRESSURE: 512400 -144.724 -48.0338 85.9205 -48.0331 -88.3125 -26.0291 85.921 -26.028 -21.8579 GPRESSURE: 512400 -86.4991 -12.0002 81.9889 -14.5189 -106.225 38.8363 137.758 -96.8025 34.9249 PRESSAVG: 512400 0.735457 5.40942 16.592 5.40938 -28.8032 58.4537 16.5919 58.4536 19.8081 GPRESSAVG: 512400 -0.212391 4.68357 17.2212 6.21663 -28.9128 57.9454 15.2349 57.8585 20.9555 TIMING: 512400 CPU: 1526.73, 0.00301245/step Wall: 1526.73, 0.00301245/step, 3.75519 hours remaining, 206.484375 MB of memory in use. ENERGY: 512400 734.3566 2181.2126 1931.2566 130.3447 -206204.5737 17541.8063 0.0000 0.0000 34033.9821 -149651.6148 297.2272 -183685.5968 -149557.8566 298.3444 -84.9647 -52.5997 556964.2958 -2.7532 -2.7232 PRESSURE: 512600 16.6853 12.3699 -82.936 12.3702 120.694 9.21761 -82.9361 9.21805 -127.183 GPRESSURE: 512600 -14.9703 71.6658 -16.2518 10.1913 163.142 -120.412 -118.884 131.195 -32.7327 PRESSAVG: 512600 27.2814 -5.82555 40.8586 -5.82559 -88.0991 15.27 40.8586 15.27 9.90362 GPRESSAVG: 512600 29.4023 -4.21206 39.6892 -7.64092 -87.7961 13.3373 40.829 15.8045 8.32645 TIMING: 512600 CPU: 1527.33, 0.00296244/step Wall: 1527.33, 0.00296244/step, 3.69269 hours remaining, 206.683594 MB of memory in use. ENERGY: 512600 735.9570 2078.0926 1949.6068 104.1287 -206583.8924 17941.1101 0.0000 0.0000 34188.0347 -149586.9626 298.5726 -183774.9973 -149484.2440 297.6108 3.3988 38.4795 557674.5134 -16.9714 -16.6891 PRESSURE: 512800 112.79 -70.4957 64.1151 -70.4947 193.8 99.0956 64.1151 99.0951 65.4256 GPRESSURE: 512800 132.452 -62.6172 -19.9033 -0.722372 209.776 151.484 30.5806 108.683 117.397 PRESSAVG: 512800 -20.7289 0.423853 21.8757 0.42382 -18.5573 19.7963 21.8756 19.7963 16.88 GPRESSAVG: 512800 -21.8877 -0.764397 21.0854 1.46792 -18.4027 21.8649 20.8855 18.252 17.8515 TIMING: 512800 CPU: 1527.92, 0.00294471/step Wall: 1527.92, 0.00294471/step, 3.67042 hours remaining, 206.683594 MB of memory in use. ENERGY: 512800 729.5320 2022.3161 1975.4909 116.4805 -206657.6967 17852.4315 0.0000 0.0000 34386.5511 -149574.8946 300.3063 -183961.4457 -149480.0467 298.2452 124.0049 153.2083 556002.2713 -7.4687 -7.4796 PRESSURE: 513000 108.237 -68.1121 -43.2498 -68.1129 19.4614 -29.1014 -43.2494 -29.1015 187.105 GPRESSURE: 513000 180.786 -38.2564 5.3806 -148.358 58.1456 -93.8518 16.0165 -23.8702 177.595 PRESSAVG: 513000 1.30391 11.7484 24.2997 11.7483 0.488191 15.5132 24.2997 15.5132 12.015 GPRESSAVG: 513000 2.42859 12.6148 23.4373 9.85845 -0.630108 15.5357 26.836 15.446 12.3878 TIMING: 513000 CPU: 1528.5, 0.00293116/step Wall: 1528.5, 0.00293116/step, 3.65337 hours remaining, 206.683594 MB of memory in use. ENERGY: 513000 743.0894 2093.5729 1926.9422 123.2240 -206590.1898 18058.1534 0.0000 0.0000 34129.6049 -149515.6029 298.0623 -183645.2078 -149420.3273 298.8468 104.9345 138.8420 557710.1650 4.6024 4.7288 PRESSURE: 513200 -99.3635 42.8857 141.61 42.8853 -152.189 12.6139 141.611 12.614 -16.3004 GPRESSURE: 513200 -21.497 -0.357863 196.119 39.06 -172.448 13.4902 156.734 -5.56502 11.5593 PRESSAVG: 513200 -7.96056 -3.25419 49.0281 -3.25424 -24.9656 -15.2621 49.0282 -15.2621 25.9889 GPRESSAVG: 513200 -9.17611 -4.77813 50.4323 -2.65616 -23.5213 -13.7041 47.7205 -15.5286 25.3096 TIMING: 513200 CPU: 1529.09, 0.0029398/step Wall: 1529.09, 0.0029398/step, 3.66397 hours remaining, 206.683594 MB of memory in use. ENERGY: 513200 746.0326 2085.7571 1950.0299 121.0396 -206315.0185 17690.0549 0.0000 0.0000 34213.0944 -149509.0101 298.7915 -183722.1045 -149410.6670 298.5846 -89.2843 -60.7954 558373.1662 -2.3124 -2.4626 PRESSURE: 513400 45.4143 -12.7785 -81.6509 -12.7792 -284.271 -18.4745 -81.6513 -18.4768 -164.85 GPRESSURE: 513400 37.0009 -34.9609 -72.9194 -24.9686 -250.933 6.00733 -106.104 51.2504 -85.1096 PRESSAVG: 513400 4.51386 -34.8446 18.3837 -34.8446 -30.8863 6.75686 18.3837 6.75679 22.907 GPRESSAVG: 513400 4.89507 -33.6183 17.4789 -34.5802 -30.7481 6.17987 17.8864 6.3417 23.2302 TIMING: 513400 CPU: 1529.69, 0.00298256/step Wall: 1529.69, 0.00298256/step, 3.7171 hours remaining, 206.683594 MB of memory in use. ENERGY: 513400 822.8618 2113.3332 1905.1281 103.7336 -206376.1080 17910.2563 0.0000 0.0000 34062.9737 -149457.8212 297.4804 -183520.7949 -149362.3208 298.4505 -134.5689 -99.6807 558562.2958 -1.1552 -0.8743 PRESSURE: 513600 175.443 -27.1938 3.26611 -27.1934 -3.48239 -6.27034 3.265 -6.27037 -25.0778 GPRESSURE: 513600 206.144 -14.6976 13.8484 -0.369807 60.2578 -8.31245 -39.7761 -38.3487 -35.5682 PRESSAVG: 513600 22.4303 1.827 -1.61264 1.82695 -50.2964 -26.64 -1.61269 -26.6401 37.4791 GPRESSAVG: 513600 22.2047 3.3317 -1.28511 1.29715 -50.5059 -29.213 -1.86333 -25.4123 38.1607 TIMING: 513600 CPU: 1530.28, 0.00297668/step Wall: 1530.28, 0.00297668/step, 3.7096 hours remaining, 206.683594 MB of memory in use. ENERGY: 513600 751.6618 2153.2520 1955.2953 118.4856 -206730.8388 18113.1328 0.0000 0.0000 34046.8726 -149592.1387 297.3398 -183639.0113 -149499.7126 298.6159 48.9609 76.9446 558041.6565 3.2043 3.2865 PRESSURE: 513800 72.4417 51.5291 -144.687 51.529 -252.05 -16.6684 -144.688 -16.6687 -221.286 GPRESSURE: 513800 79.2893 100.14 -155.829 74.3129 -190.678 53.5805 -174.651 -124.482 -187.091 PRESSAVG: 513800 -28.0112 -4.72957 19.4148 -4.72951 -35.6423 -18.3685 19.4149 -18.3684 73.4208 GPRESSAVG: 513800 -27.0815 -6.4731 19.2264 -3.83638 -35.118 -17.4554 18.0177 -19.6069 72.7591 TIMING: 513800 CPU: 1530.87, 0.00295531/step Wall: 1530.87, 0.00295531/step, 3.6828 hours remaining, 206.683594 MB of memory in use. ENERGY: 513800 769.5045 2069.5997 1923.4083 112.7990 -206197.2428 17764.1287 0.0000 0.0000 33978.4125 -149579.3901 296.7419 -183557.8026 -149480.2669 298.3253 -133.6312 -99.4934 557827.5100 3.2558 3.5199 PRESSURE: 514000 -121.057 23.7539 -238.735 23.7539 -177.573 -79.4247 -238.735 -79.4245 -158.724 GPRESSURE: 514000 -79.4792 118.378 -207.911 -76.8648 -176.714 -39.7478 -200.136 -63.2624 -90.9939 PRESSAVG: 514000 -32.4252 0.958474 -58.7072 0.958431 12.8871 25.3923 -58.7073 25.3924 35.6641 GPRESSAVG: 514000 -32.6703 2.23129 -57.4934 1.09529 11.9744 26.42 -58.2019 24.2129 36.7087 TIMING: 514000 CPU: 1531.46, 0.00293992/step Wall: 1531.46, 0.00293992/step, 3.66346 hours remaining, 206.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 514000 752.2752 2079.9353 1951.2515 109.5492 -206673.9626 17785.7420 0.0000 0.0000 34295.5058 -149699.7035 299.5112 -183995.2093 -149597.2401 298.1259 -152.4516 -115.7289 556783.7180 5.3754 5.3376 PRESSURE: 514200 -238.919 126.522 -65.8012 126.522 -263.78 -22.1178 -65.8014 -22.117 -267.73 GPRESSURE: 514200 -199.672 42.5219 39.0184 166.95 -210.716 93.6476 -97.8439 -11.6797 -273.8 PRESSAVG: 514200 36.3183 10.2969 -58.3277 10.2969 -58.8305 -18.8654 -58.3277 -18.8654 -8.31801 GPRESSAVG: 514200 36.3899 10.3288 -57.8378 9.51185 -58.2453 -18.2751 -56.2339 -18.0773 -9.50955 TIMING: 514200 CPU: 1532.05, 0.00295452/step Wall: 1532.05, 0.00295452/step, 3.68149 hours remaining, 206.683594 MB of memory in use. ENERGY: 514200 736.1951 2110.3856 1944.8930 106.7921 -205987.8844 17322.5356 0.0000 0.0000 34199.6355 -149567.4475 298.6739 -183767.0830 -149479.6025 299.1359 -256.8096 -228.0627 557412.6823 -10.2767 -10.4550 PRESSURE: 514400 -35.5 -60.6288 -12.1036 -60.6294 -2.87764 -17.6112 -12.1023 -17.6115 74.9214 GPRESSURE: 514400 65.8854 -42.0896 -40.5117 44.5918 -16.6199 33.8953 52.269 -30.3739 77.1604 PRESSAVG: 514400 66.1096 28.5945 -10.2833 28.5946 14.5605 11.9002 -10.2833 11.9001 -29.682 GPRESSAVG: 514400 66.303 28.1829 -11.4867 29.9631 14.7922 9.30785 -10.8081 15.6321 -30.1149 TIMING: 514400 CPU: 1532.64, 0.00294106/step Wall: 1532.64, 0.00294106/step, 3.66456 hours remaining, 206.683594 MB of memory in use. ENERGY: 514400 729.6167 2103.7919 1933.1285 112.3520 -206560.0338 17994.9181 0.0000 0.0000 34069.5293 -149616.6974 297.5377 -183686.2267 -149526.8794 298.5096 12.1812 42.1420 557471.3794 16.9961 16.9934 PRESSURE: 514600 -97.4135 -94.5733 -94.8335 -94.5733 0.240457 -20.7442 -94.8331 -20.7448 45.0032 GPRESSURE: 514600 -65.7 -120.791 -116.213 -57.3377 80.8308 -45.5197 -10.3773 1.26244 38.1689 PRESSAVG: 514600 -11.3015 26.3609 -22.2796 26.3609 37.244 -4.5364 -22.2796 -4.53642 24.3804 GPRESSAVG: 514600 -12.6655 25.6667 -20.906 25.4624 36.4382 -6.07186 -22.8118 -6.35605 26.4312 TIMING: 514600 CPU: 1533.24, 0.00297936/step Wall: 1533.24, 0.00297936/step, 3.71212 hours remaining, 206.683594 MB of memory in use. ENERGY: 514600 720.1302 2085.7730 1963.5367 106.9739 -206421.4300 17736.4823 0.0000 0.0000 34244.0503 -149564.4837 299.0618 -183808.5339 -149473.9443 298.0637 -17.3899 17.7666 556176.2592 16.7743 16.7346 PRESSURE: 514800 135.995 -133.684 -76.4912 -133.684 274.493 -51.8079 -76.4906 -51.8073 117.984 GPRESSURE: 514800 175.998 -186.524 -0.412038 -69.1493 313.278 -104.843 -27.6037 -65.2142 135.985 PRESSAVG: 514800 -18.5044 -9.09484 0.158817 -9.09487 39.9353 54.2437 0.158811 54.2437 -52.3309 GPRESSAVG: 514800 -18.6542 -9.09974 -2.03121 -10.2901 40.7846 55.3932 -0.0870349 52.6636 -53.0664 TIMING: 514800 CPU: 1533.83, 0.00297713/step Wall: 1533.83, 0.00297713/step, 3.70917 hours remaining, 206.683594 MB of memory in use. ENERGY: 514800 744.1124 2074.0284 1924.3735 110.0998 -206571.3639 18031.6495 0.0000 0.0000 34092.3369 -149594.7635 297.7369 -183687.1004 -149497.5652 297.7740 176.1574 208.4201 557000.4737 -10.3000 -10.3120 PRESSURE: 515000 -115.242 -105.937 -66.2859 -105.936 -198.307 15.1362 -66.2851 15.136 185.756 GPRESSURE: 515000 -69.9228 -110.152 -138.906 -54.5752 -185.111 64.2213 -14.5908 -41.599 222.047 PRESSAVG: 515000 -39.2197 -28.0651 6.49448 -28.0652 21.2573 33.0851 6.49447 33.0853 16.999 GPRESSAVG: 515000 -39.1138 -28.1048 8.00718 -26.7277 21.0087 33.5325 6.82966 33.9722 17.3471 TIMING: 515000 CPU: 1534.43, 0.0030018/step Wall: 1534.43, 0.0030018/step, 3.73974 hours remaining, 206.683594 MB of memory in use. ENERGY: 515000 719.1990 2064.6201 1977.9413 120.6640 -206095.6030 17735.4265 0.0000 0.0000 34005.8620 -149471.8900 296.9817 -183477.7520 -149377.8525 298.6230 -42.5978 -10.9956 557943.6453 -0.3211 -0.2527 PRESSURE: 515200 214.817 -47.3875 -3.64957 -47.3881 86.1905 80.7809 -3.64911 80.7811 195.888 GPRESSURE: 515200 207.979 -35.9625 23.5678 -1.98412 133.914 169.712 -83.5797 70.1134 249.749 PRESSAVG: 515200 -8.93891 -46.1224 -8.22044 -46.1224 44.9267 40.3941 -8.22038 40.3942 31.755 GPRESSAVG: 515200 -7.5437 -46.0412 -8.62423 -47.2449 43.8162 40.5635 -7.75338 39.7794 30.9415 TIMING: 515200 CPU: 1535.03, 0.00300168/step Wall: 1535.03, 0.00300168/step, 3.73943 hours remaining, 206.683594 MB of memory in use. ENERGY: 515200 761.3250 2069.7318 1954.4572 114.8858 -206606.0112 18173.6546 0.0000 0.0000 34223.8874 -149308.0693 298.8857 -183531.9566 -149211.5794 298.3861 165.6320 197.2136 556594.1670 22.5809 22.4047 PRESSURE: 515400 59.3663 108.633 -3.90893 108.633 -59.1607 144.648 -3.90847 144.648 -258.266 GPRESSURE: 515400 54.7717 49.2707 12.8653 111.728 -31.1112 123.687 68.7117 110.761 -181.031 PRESSAVG: 515400 -31.6945 43.2775 -42.6785 43.2775 22.8567 -19.8933 -42.6785 -19.8931 9.72838 GPRESSAVG: 515400 -31.3304 45.1894 -41.3792 43.4875 22.0985 -21.1747 -42.0933 -19.2812 9.92783 TIMING: 515400 CPU: 1535.63, 0.00297393/step Wall: 1535.63, 0.00297393/step, 3.70468 hours remaining, 206.683594 MB of memory in use. ENERGY: 515400 754.4768 2051.1274 1957.4216 113.7717 -206243.7129 17879.7350 0.0000 0.0000 34271.1813 -149215.9992 299.2988 -183487.1806 -149121.6993 299.0773 -86.0202 -52.4567 556793.0737 0.2969 0.2320 PRESSURE: 515600 -283.882 100.684 -249.491 100.684 -18.9485 -34.2424 -249.491 -34.242 -288.063 GPRESSURE: 515600 -258.637 52.4907 -355.703 132.747 12.2268 -20.8789 -234.553 14.0457 -249.559 PRESSAVG: 515600 -28.2586 16.5546 3.55282 16.5547 28.0787 12.695 3.5528 12.6951 -4.10473 GPRESSAVG: 515600 -29.6415 14.6047 2.21253 15.9567 29.9709 14.8877 4.82236 10.3941 -4.97517 TIMING: 515600 CPU: 1536.22, 0.00296462/step Wall: 1536.22, 0.00296462/step, 3.69293 hours remaining, 206.683594 MB of memory in use. ENERGY: 515600 794.6342 2137.0246 1932.6195 114.8451 -206006.0042 17751.7790 0.0000 0.0000 34226.8194 -149048.2824 298.9113 -183275.1017 -148960.6116 299.8152 -196.9644 -165.3231 557522.2242 -1.4282 -1.5486 PRESSURE: 515800 -153.08 -44.0812 120.386 -44.0808 54.5783 52.5144 120.385 52.5142 -360.865 GPRESSURE: 515800 -127.313 29.0096 167.351 -69.3223 43.077 -19.3162 153.112 112.213 -282.522 PRESSAVG: 515800 45.2703 22.6927 -42.6844 22.6927 0.0517918 -13.1053 -42.6844 -13.1054 4.77728 GPRESSAVG: 515800 46.9442 24.1204 -42.0107 23.6318 -1.31088 -13.669 -44.5108 -11.908 4.36212 TIMING: 515800 CPU: 1536.81, 0.00296165/step Wall: 1536.81, 0.00296164/step, 3.68906 hours remaining, 206.683594 MB of memory in use. ENERGY: 515800 748.6604 2063.8577 1919.4107 103.8599 -205716.6988 17459.9332 0.0000 0.0000 34447.4592 -148973.5178 300.8382 -183420.9770 -148879.6359 300.0446 -153.1223 -122.2526 557754.7645 16.6998 16.6652 PRESSURE: 516000 -5.18516 -122.502 -60.9972 -122.501 -173.625 -59.3237 -60.9967 -59.324 -43.9742 GPRESSURE: 516000 19.3084 -83.182 -51.4405 -170.853 -98.365 -141.134 -99.454 -88.0541 -34.4565 PRESSAVG: 516000 -20.9007 21.6578 17.4769 21.6577 -8.32663 -15.8004 17.4768 -15.8004 36.8048 GPRESSAVG: 516000 -22.8946 20.8909 17.3809 22.5842 -8.30786 -16.1344 17.6312 -15.8176 38.7259 TIMING: 516000 CPU: 1537.4, 0.00294343/step Wall: 1537.4, 0.00294343/step, 3.6662 hours remaining, 206.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 516000 739.2549 2051.7495 1933.3719 108.0095 -205867.6258 17593.2157 0.0000 0.0000 34322.2250 -149119.7994 299.7445 -183442.0244 -149017.1971 299.4931 -74.2616 -37.8377 557943.7351 2.5258 2.5078 PRESSURE: 516200 -117.189 87.4759 33.5945 87.4756 -123.491 -37.7022 33.596 -37.7031 -284.798 GPRESSURE: 516200 -15.267 42.3322 51.4557 119.651 -124.166 -3.88159 57.1117 -100.305 -275.527 PRESSAVG: 516200 -9.58946 -29.7477 0.736168 -29.7477 23.5015 9.59781 0.736194 9.59772 27.1704 GPRESSAVG: 516200 -7.41333 -29.0846 -1.44926 -31.5882 23.5175 8.60435 1.68972 11.2516 25.6118 TIMING: 516200 CPU: 1537.99, 0.00297077/step Wall: 1537.99, 0.00297077/step, 3.7001 hours remaining, 206.683594 MB of memory in use. ENERGY: 516200 758.6068 1980.4185 1940.9943 120.7856 -205902.6641 17673.1069 0.0000 0.0000 34229.5587 -149199.1933 298.9352 -183428.7520 -149102.7200 299.2643 -175.1597 -138.3198 558185.5181 13.6942 13.9053 LDB: ============= START OF LOAD BALANCING ============== 1541.54 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1541.54 LDB: =============== DONE WITH MIGRATION ================ 1541.54 LDB: ============= START OF LOAD BALANCING ============== 1541.84 LDB: Largest compute 4773 load 0.029062 is 24.6% of average load 0.118008 LDB: Average compute 0.001751 is 1.5% of average load 0.118008 LDB: TIME 1541.84 LOAD: AVG 0.118008 MAX 0.20208 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.973 MB LDB: TIME 1541.84 LOAD: AVG 0.118008 MAX 0.20208 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.973 MB LDB: TIME 1541.84 LOAD: AVG 0.118008 MAX 0.20208 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.973 MB LDB: ============== END OF LOAD BALANCING =============== 1541.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1541.85 PRESSURE: 516400 -199.779 164.238 -26.2316 164.238 -70.253 11.394 -26.2304 11.3936 150.787 GPRESSURE: 516400 -179.264 162.591 58.7847 101.474 -35.8615 5.88297 -73.9568 1.69982 188.995 PRESSAVG: 516400 25.8763 6.25098 -33.4416 6.25101 40.1643 -8.02958 -33.4417 -8.02969 -68.2416 GPRESSAVG: 516400 24.371 5.88105 -29.5816 7.11063 40.2751 -6.82927 -34.7174 -10.9441 -67.2259 TIMING: 516400 CPU: 1538.6, 0.00301355/step Wall: 1538.6, 0.00301355/step, 3.75321 hours remaining, 206.683594 MB of memory in use. ENERGY: 516400 772.9651 2059.7528 1924.8041 104.1056 -205995.2458 17818.7308 0.0000 0.0000 34145.5407 -149169.3468 298.2015 -183314.8875 -149074.7904 298.6288 -39.7483 -8.7102 558701.7340 -0.7337 -0.8599 PRESSURE: 516600 -89.2903 -148.19 -72.4115 -148.19 -171.054 -71.8475 -72.4122 -71.8477 74.6603 GPRESSURE: 516600 -49.1973 -112.384 -119.855 -249.65 -173.999 -31.3004 3.54948 -50.1773 128.436 PRESSAVG: 516600 -38.0424 -29.6315 -1.65198 -29.6316 31.7872 -28.5557 -1.65191 -28.5558 -17.484 GPRESSAVG: 516600 -38.1107 -30.4104 -3.55705 -30.6493 32.2288 -27.8821 -3.16554 -26.042 -18.0803 TIMING: 516600 CPU: 1539.19, 0.00294191/step Wall: 1539.19, 0.00294191/step, 3.66383 hours remaining, 206.683594 MB of memory in use. ENERGY: 516600 758.7749 2054.9023 1919.7785 114.6208 -206476.2513 17900.6238 0.0000 0.0000 34530.9402 -149196.6108 301.5673 -183727.5510 -149101.1207 299.1672 -61.8947 -31.5866 559506.1911 -7.9130 -7.9874 PRESSURE: 516800 -95.6485 -22.9813 69.5143 -22.9813 135.537 -134.949 69.5154 -134.949 67.1062 GPRESSURE: 516800 -48.4088 -31.0133 42.8511 60.4484 130.839 -17.8882 45.91 -176.814 115.952 PRESSAVG: 516800 2.31052 -52.8732 59.9246 -52.8733 -14.2402 -4.82908 59.9245 -4.82912 10.9838 GPRESSAVG: 516800 2.28967 -52.1509 61.1613 -50.9135 -16.2801 -6.17773 60.891 -6.43067 13.2862 TIMING: 516800 CPU: 1539.78, 0.00296797/step Wall: 1539.78, 0.00296797/step, 3.69611 hours remaining, 206.683594 MB of memory in use. ENERGY: 516800 764.0907 2137.2207 1921.6599 102.9768 -206212.8996 17965.0731 0.0000 0.0000 34115.1836 -149206.6948 297.9364 -183321.8784 -149111.9986 299.9930 35.6649 66.1273 558480.7121 -0.3153 -0.2348 PRESSURE: 517000 -113.749 -100.3 83.0801 -100.3 -30.9381 53.871 83.0813 53.8706 -245.371 GPRESSURE: 517000 -130.338 -174.208 147.242 -110.05 20.1959 5.18673 85.1433 53.2923 -170.534 PRESSAVG: 517000 -39.5973 13.8537 -11.7906 13.8537 30.147 9.99787 -11.7906 9.99786 43.849 GPRESSAVG: 517000 -39.131 11.4561 -13.9181 13.2199 30.8688 8.28759 -11.0411 12.489 42.5454 TIMING: 517000 CPU: 1540.37, 0.00296901/step Wall: 1540.37, 0.00296901/step, 3.69724 hours remaining, 206.683594 MB of memory in use. ENERGY: 517000 747.7154 2054.5534 1909.5740 111.4441 -206072.0267 17591.0814 0.0000 0.0000 34227.3677 -149430.2906 298.9161 -183657.6583 -149332.4271 298.7905 -130.0196 -93.5589 558307.2237 11.4662 11.4277 PRESSURE: 517200 196.187 -206.142 15.0179 -206.143 -119.803 92.6948 15.017 92.6953 -103.997 GPRESSURE: 517200 181.208 -207.224 13.1319 -299.437 -100.005 74.1434 -21.3573 23.7617 -13.7549 PRESSAVG: 517200 33.273 -12.4106 -6.07172 -12.4107 -34.4863 19.9605 -6.07171 19.9606 -9.41859 GPRESSAVG: 517200 32.0171 -13.0363 -5.52403 -14.0494 -33.1406 22.3295 -5.33135 17.2532 -9.67943 TIMING: 517200 CPU: 1540.96, 0.00296098/step Wall: 1540.96, 0.00296098/step, 3.68707 hours remaining, 206.683594 MB of memory in use. ENERGY: 517200 705.1728 2062.1679 1951.8593 97.3039 -206287.0030 17750.3580 0.0000 0.0000 34285.3049 -149434.8362 299.4221 -183720.1411 -149336.6932 298.7510 -9.2039 22.4827 558200.0228 -3.5440 -3.6010 PRESSURE: 517400 130.546 73.6053 111.677 73.6045 -96.1431 -41.1961 111.677 -41.1951 -93.7429 GPRESSURE: 517400 136.665 76.0318 84.8753 88.7843 -80.3649 -19.986 136.852 -131.488 -10.8659 PRESSAVG: 517400 17.6136 -37.606 0.445483 -37.6059 -112.278 12.3043 0.445507 12.3043 102.181 GPRESSAVG: 517400 17.3835 -35.2676 -0.775794 -35.5512 -112.732 11.682 1.10444 14.3123 102.73 TIMING: 517400 CPU: 1541.56, 0.00295728/step Wall: 1541.56, 0.00295728/step, 3.68231 hours remaining, 206.683594 MB of memory in use. ENERGY: 517400 733.6114 2111.4523 1911.2341 105.2118 -206388.6169 17994.6352 0.0000 0.0000 34052.1396 -149480.3325 297.3858 -183532.4721 -149387.2272 298.7414 -19.7801 15.1448 558793.6537 2.5053 2.4605 PRESSURE: 517600 191.412 9.64074 -128.548 9.64023 -169.223 50.9162 -128.549 50.9164 80.7821 GPRESSURE: 517600 232.184 17.418 -111.389 -37.2311 -121.261 10.713 -126.816 39.2471 101.526 PRESSAVG: 517600 -41.3147 3.746 -28.6297 3.74598 -33.4336 11.2212 -28.6296 11.2212 4.49838 GPRESSAVG: 517600 -40.6077 2.60374 -28.2668 2.69425 -34.1366 12.8266 -29.698 10.7581 3.99267 TIMING: 517600 CPU: 1542.15, 0.00297591/step Wall: 1542.15, 0.00297591/step, 3.70533 hours remaining, 206.683594 MB of memory in use. ENERGY: 517600 726.1834 2092.2388 1949.0206 104.6358 -206139.5658 17994.1871 0.0000 0.0000 34067.2521 -149206.0480 297.5178 -183273.3000 -149108.9289 298.5844 34.3236 70.8162 558996.2759 -23.4167 -23.5839 PRESSURE: 517800 187.52 137.455 126.173 137.455 -87.9503 -8.81262 126.174 -8.8119 116.59 GPRESSURE: 517800 195.001 133.947 118.371 136.458 -60.7858 1.28788 162.949 49.6801 188.162 PRESSAVG: 517800 31.6869 6.31857 17.3174 6.31858 20.7915 0.393513 17.3174 0.393595 5.82134 GPRESSAVG: 517800 30.9355 5.88275 18.6159 6.52548 22.0128 0.559207 18.5135 1.57217 5.45658 TIMING: 517800 CPU: 1542.75, 0.00296884/step Wall: 1542.75, 0.00296884/step, 3.69638 hours remaining, 206.683594 MB of memory in use. ENERGY: 517800 774.5028 2023.9474 1967.9547 100.9303 -206412.1828 17945.6529 0.0000 0.0000 34378.6509 -149220.5439 300.2373 -183599.1948 -149130.5935 299.1391 72.0531 107.4591 557245.1911 19.4332 19.4683 PRESSURE: 518000 -104.374 23.992 21.2636 23.9925 -8.051 344.173 21.2626 344.172 128.112 GPRESSURE: 518000 -100.171 85.088 96.5248 68.9715 75.8578 328.766 94.2471 262.019 144.619 PRESSAVG: 518000 5.56439 60.6654 0.0325469 60.6654 -37.052 28.2878 0.0325483 28.2879 53.3051 GPRESSAVG: 518000 6.38876 62.2258 0.358716 59.704 -38.7035 27.8889 -1.88272 25.3136 54.2347 TIMING: 518000 CPU: 1543.34, 0.00296805/step Wall: 1543.34, 0.00296805/step, 3.69522 hours remaining, 206.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 518000 737.3789 2050.4352 1942.0155 101.2632 -206172.2676 17670.1469 0.0000 0.0000 34535.9217 -149135.1062 301.6108 -183671.0279 -149039.5903 299.7744 5.2288 40.1019 556348.2447 7.2725 7.3066 PRESSURE: 518200 43.1292 -51.7541 50.7868 -51.7538 -14.7425 -45.6483 50.7879 -45.6474 -112.816 GPRESSURE: 518200 58.2806 -69.2029 135.244 1.12933 -4.11719 -52.1138 62.415 -23.5977 -37.2461 PRESSAVG: 518200 -29.1746 25.4671 10.6133 25.467 16.5685 20.0619 10.6133 20.0621 -29.9771 GPRESSAVG: 518200 -27.9222 24.0864 9.57533 26.5961 16.7842 21.4234 12.6479 21.3004 -31.2114 TIMING: 518200 CPU: 1543.93, 0.00297345/step Wall: 1543.93, 0.00297345/step, 3.70178 hours remaining, 206.683594 MB of memory in use. ENERGY: 518200 745.4397 2047.8616 1930.5384 119.3374 -206032.9534 17815.7766 0.0000 0.0000 34304.6327 -149069.3670 299.5909 -183373.9997 -148974.1362 299.8400 -28.1430 5.6391 558903.8365 -14.1944 -14.1164 PRESSURE: 518400 -239.263 -142.574 86.0773 -142.574 1.5573 16.0448 86.0781 16.0454 -89.3228 GPRESSURE: 518400 -167.959 -234.745 57.2469 -107.452 27.2706 1.50928 147.705 10.4836 -77.5202 PRESSAVG: 518400 4.91611 7.14882 -9.3144 7.14886 21.391 -20.2704 -9.31433 -20.2702 -14.6807 GPRESSAVG: 518400 4.90688 4.9924 -10.8844 7.32639 19.863 -23.0807 -9.64143 -19.5157 -13.6229 TIMING: 518400 CPU: 1544.53, 0.00295764/step Wall: 1544.53, 0.00295764/step, 3.68193 hours remaining, 206.683594 MB of memory in use. ENERGY: 518400 763.4477 2133.3659 1949.3034 120.2810 -206158.9679 17782.7003 0.0000 0.0000 34332.7104 -149077.1593 299.8361 -183409.8697 -148981.5553 299.1195 -109.0095 -72.7363 558173.1098 3.8755 3.7157 PRESSURE: 518600 -373.51 -20.9597 -63.2374 -20.9601 -143.977 -1.76743 -63.2375 -1.76537 -147.627 GPRESSURE: 518600 -302.279 -22.0268 -30.4209 -46.9326 -150.604 20.8853 -57.2783 -6.00819 -110.61 PRESSAVG: 518600 7.63225 -21.4941 4.18237 -21.4941 7.02994 17.4648 4.18231 17.4648 -22.8979 GPRESSAVG: 518600 6.09646 -19.1055 5.40513 -21.9441 7.34612 17.7717 5.07045 17.3821 -21.8955 TIMING: 518600 CPU: 1545.12, 0.00295861/step Wall: 1545.12, 0.00295861/step, 3.68298 hours remaining, 206.683594 MB of memory in use. ENERGY: 518600 765.2797 2129.8786 1936.1755 106.1131 -205799.0885 17312.4531 0.0000 0.0000 34401.1500 -149148.0385 300.4338 -183549.1885 -149045.1759 300.0712 -221.7045 -187.8310 556837.6885 -2.7452 -2.8176 PRESSURE: 518800 46.2014 -112.63 16.5238 -112.63 9.21687 45.2477 16.5244 45.2482 -51.9209 GPRESSURE: 518800 84.2999 -118.396 4.80097 -128.461 -6.27944 65.2254 -34.4609 35.4415 24.7633 PRESSAVG: 518800 -23.2766 -40.1354 9.36814 -40.1354 -12.208 19.3955 9.36817 19.3955 -0.671013 GPRESSAVG: 518800 -23.0214 -40.143 9.89991 -40.2302 -10.8367 22.3382 9.42843 18.1546 -1.88394 TIMING: 518800 CPU: 1545.71, 0.00294675/step Wall: 1545.71, 0.00294675/step, 3.66806 hours remaining, 206.683594 MB of memory in use. ENERGY: 518800 729.6831 2129.5415 1909.4061 116.7582 -205743.7398 17677.3012 0.0000 0.0000 34287.4987 -148893.5511 299.4413 -183181.0498 -148797.2819 300.3612 1.1658 34.2613 558556.1446 -12.0519 -11.9140 PRESSURE: 519000 -238.927 104.322 137.057 104.323 129.372 -21.1665 137.057 -21.1663 221.562 GPRESSURE: 519000 -181.711 48.2215 94.8083 188.945 105.018 41.197 103.234 -17.1327 271.545 PRESSAVG: 519000 -5.73008 -33.4195 -42.0206 -33.4195 -23.4286 -15.5556 -42.0205 -15.5557 18.469 GPRESSAVG: 519000 -4.85128 -33.7431 -43.7971 -31.3828 -23.783 -17.3952 -42.092 -14.9688 17.7155 TIMING: 519000 CPU: 1546.29, 0.00292584/step Wall: 1546.29, 0.00292584/step, 3.64186 hours remaining, 206.683594 MB of memory in use. ENERGY: 519000 733.6069 2143.7246 1927.3292 112.0945 -206199.1954 17978.0742 0.0000 0.0000 34466.7411 -148837.6249 301.0066 -183304.3660 -148745.9828 299.9425 37.3357 64.9507 557473.7063 -3.5632 -3.6396 PRESSURE: 519200 -73.6233 63.4837 -98.8482 63.4831 68.119 -115.412 -98.8476 -115.413 114.709 GPRESSURE: 519200 -68.6098 28.0453 -136.937 97.4832 150.127 -69.0511 -37.3981 -126.782 120.019 PRESSAVG: 519200 -53.588 10.5483 -51.1438 10.5484 50.3752 -24.5241 -51.1439 -24.5241 10.2117 GPRESSAVG: 519200 -54.62 11.1959 -51.0139 10.0084 49.7463 -22.4455 -51.5687 -26.1355 11.9294 TIMING: 519200 CPU: 1546.88, 0.0029483/step Wall: 1546.88, 0.0029483/step, 3.66966 hours remaining, 206.683594 MB of memory in use. ENERGY: 519200 738.5695 2117.2394 1918.9015 113.3882 -206068.4344 17833.6125 0.0000 0.0000 34444.9750 -148901.7483 300.8165 -183346.7233 -148806.0315 299.8662 36.4014 67.1786 558218.8811 2.3330 2.3519 PRESSURE: 519400 -39.3836 45.4613 -123.104 45.4621 -67.467 296.416 -123.104 296.417 -325.761 GPRESSURE: 519400 -27.9092 -30.1212 -134.085 87.6121 -23.9845 258.596 -102.388 230.727 -285.554 PRESSAVG: 519400 -30.3077 27.1486 -55.0355 27.1486 43.3225 -16.1272 -55.0355 -16.1273 -47.6702 GPRESSAVG: 519400 -29.3773 28.1434 -55.2992 25.8613 42.8118 -19.0774 -53.2455 -13.895 -47.6645 TIMING: 519400 CPU: 1547.48, 0.00298625/step Wall: 1547.48, 0.00298625/step, 3.71672 hours remaining, 206.683594 MB of memory in use. ENERGY: 519400 774.8797 2151.0934 1921.0143 121.7860 -206025.1453 17696.4824 0.0000 0.0000 34369.1163 -148990.7731 300.1540 -183359.8895 -148894.6788 299.8299 -144.2037 -112.4825 558535.2821 -11.5518 -11.4100 PRESSURE: 519600 163.849 -40.2135 -254.434 -40.2145 -115.501 -20.6738 -254.435 -20.6742 -245.162 GPRESSURE: 519600 169.77 -3.52893 -283.566 -73.101 -87.6172 1.99847 -230.09 -44.0707 -176.29 PRESSAVG: 519600 17.0312 -22.5477 -28.2175 -22.5476 -61.1479 -31.2932 -28.2176 -31.2933 22.805 GPRESSAVG: 519600 16.8835 -23.8581 -29.529 -22.6666 -60.262 -29.3204 -28.5508 -32.2661 21.7964 TIMING: 519600 CPU: 1548.07, 0.00297577/step Wall: 1548.07, 0.00297577/step, 3.70351 hours remaining, 206.683594 MB of memory in use. ENERGY: 519600 746.7928 2041.1155 1918.3841 122.9743 -206117.2440 17725.3771 0.0000 0.0000 34439.6932 -149122.9070 300.7704 -183562.6002 -149030.4513 299.3325 -65.6044 -31.3793 558044.8590 -7.1039 -7.1940 PRESSURE: 519800 49.6731 -107.269 138.493 -107.269 -270.62 -180.292 138.494 -180.29 -195.106 GPRESSURE: 519800 105.126 -47.8524 84.9197 -146.95 -219.165 -175.947 88.8364 -186.248 -209.573 PRESSAVG: 519800 26.5717 58.1765 -2.22289 58.1765 -6.59123 -45.8309 -2.22282 -45.8309 -5.23116 GPRESSAVG: 519800 27.4803 59.33 -0.56365 58.0985 -7.19654 -45.1639 -2.15483 -46.4981 -5.18785 TIMING: 519800 CPU: 1548.67, 0.00296106/step Wall: 1548.67, 0.00296106/step, 3.68504 hours remaining, 206.683594 MB of memory in use. ENERGY: 519800 737.2049 2063.1653 1968.0785 109.7124 -205828.8447 17484.1464 0.0000 0.0000 34469.2689 -148997.2682 301.0287 -183466.5371 -148907.1765 299.6347 -138.6845 -107.8709 559385.9817 4.9164 5.0320 PRESSURE: 520000 -141.518 -20.1497 -74.0043 -20.1514 211.744 65.7096 -74.0052 65.7101 154.394 GPRESSURE: 520000 -64.2475 -99.9091 -105.572 -12.125 259.086 108.491 -137.691 15.4322 130.999 PRESSAVG: 520000 -17.9247 66.9141 -4.93451 66.914 1.46191 -57.3086 -4.93451 -57.3086 0.0327049 GPRESSAVG: 520000 -18.3938 66.3681 -5.8865 66.0302 2.40135 -59.0166 -5.18385 -57.6636 -0.757387 TIMING: 520000 CPU: 1549.26, 0.00296356/step Wall: 1549.26, 0.00296356/step, 3.68799 hours remaining, 206.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 520000 767.4678 2115.6817 1928.1703 118.4538 -206642.8930 18077.8517 0.0000 0.0000 34433.6503 -149201.6175 300.7176 -183635.2678 -149096.8364 299.6416 74.8734 108.6126 557668.8599 -5.4767 -5.5833 PRESSURE: 520200 -112.161 71.5498 -156.611 71.5509 -249.189 43.5037 -156.611 43.5021 -171.04 GPRESSURE: 520200 -85.6164 166.018 -139.179 30.8654 -168.903 229.37 -212.61 33.9081 -163.924 PRESSAVG: 520200 -49.8109 31.0092 -47.3688 31.0091 12.1444 7.35932 -47.3689 7.35938 -6.17403 GPRESSAVG: 520200 -51.2205 32.3394 -47.3315 31.6074 12.2687 8.36477 -47.3252 8.36586 -4.86775 TIMING: 520200 CPU: 1549.85, 0.00297834/step Wall: 1549.85, 0.00297834/step, 3.70621 hours remaining, 206.683594 MB of memory in use. ENERGY: 520200 747.1202 2089.4988 1946.8685 117.0179 -206229.3878 17634.5724 0.0000 0.0000 34452.4073 -149241.9027 300.8814 -183694.3100 -149137.9234 299.6631 -177.4635 -139.4811 558163.7551 -14.6135 -14.6065 LDB: ============= START OF LOAD BALANCING ============== 1553.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1553.4 LDB: =============== DONE WITH MIGRATION ================ 1553.4 LDB: ============= START OF LOAD BALANCING ============== 1553.7 LDB: Largest compute 4773 load 0.028158 is 23.9% of average load 0.118060 LDB: Average compute 0.001753 is 1.5% of average load 0.118060 LDB: TIME 1553.7 LOAD: AVG 0.11806 MAX 0.204746 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.684 MB LDB: TIME 1553.7 LOAD: AVG 0.11806 MAX 0.204746 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.883 MB LDB: TIME 1553.7 LOAD: AVG 0.11806 MAX 0.204746 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.883 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1553.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1553.71 PRESSURE: 520400 157.737 -130.568 -40.7272 -130.568 20.8381 25.1546 -40.7259 25.1554 -83.8127 GPRESSURE: 520400 152.628 -92.322 9.06285 -112.343 60.4047 33.4081 -52.7149 48.4968 -39.9298 PRESSAVG: 520400 -11.251 -44.8099 0.33902 -44.8099 98.6043 12.1164 0.339121 12.1164 -70.9094 GPRESSAVG: 520400 -9.47126 -44.5459 3.41015 -42.7814 98.2117 11.595 -3.27088 12.8567 -72.2985 TIMING: 520400 CPU: 1550.46, 0.00302964/step Wall: 1550.46, 0.00302964/step, 3.76988 hours remaining, 207.519531 MB of memory in use. ENERGY: 520400 746.3962 2086.9250 1982.2660 131.3297 -206406.1807 18110.2297 0.0000 0.0000 34028.5663 -149320.4678 297.1799 -183349.0342 -149225.9044 299.0377 31.5873 57.7011 557994.1369 5.4813 5.4806 PRESSURE: 520600 -34.7178 106.028 -101.219 106.028 -34.077 -216.872 -101.22 -216.873 -276.107 GPRESSURE: 520600 8.49816 135.902 -85.1703 100.641 23.1975 -237.74 -78.2725 -194.655 -278.471 PRESSAVG: 520600 13.6314 12.2711 36.5308 12.2711 43.845 15.4053 36.5308 15.4055 -48.7914 GPRESSAVG: 520600 13.3902 11.0239 35.3718 12.2624 43.7655 16.1006 39.3252 17.2138 -48.3361 TIMING: 520600 CPU: 1551.05, 0.00296928/step Wall: 1551.05, 0.00296928/step, 3.69461 hours remaining, 207.519531 MB of memory in use. ENERGY: 520600 717.3748 2064.1140 1964.9560 116.7824 -205815.9563 17496.8459 0.0000 0.0000 34259.9057 -149195.9775 299.2003 -183455.8832 -149095.6690 299.0206 -114.9672 -82.2584 557530.6736 2.8950 2.9399 PRESSURE: 520800 -179.786 -21.8699 -42.0789 -21.8705 -245.626 32.265 -42.0787 32.2636 -286.303 GPRESSURE: 520800 -185.607 127.374 -19.8889 -147.077 -183.636 80.7334 24.95 108.065 -251.683 PRESSAVG: 520800 27.8982 -7.60129 4.63373 -7.60137 -18.924 -59.9408 4.63385 -59.9407 -12.8314 GPRESSAVG: 520800 27.0868 -9.00159 4.36499 -8.96647 -18.1156 -60.7782 6.0598 -61.7198 -12.4353 TIMING: 520800 CPU: 1551.64, 0.00294857/step Wall: 1551.64, 0.00294857/step, 3.66867 hours remaining, 207.519531 MB of memory in use. ENERGY: 520800 736.6216 2076.4222 1939.3585 127.0668 -205875.6075 17500.7734 0.0000 0.0000 34343.7371 -149151.6279 299.9324 -183495.3650 -149052.1855 299.9386 -237.2382 -206.9749 559832.2121 -1.2857 -1.1547 PRESSURE: 521000 -323.713 103.378 -76.7618 103.376 -39.9581 69.9656 -76.7606 69.9661 -238.549 GPRESSURE: 521000 -302.747 97.5827 -169.816 90.0864 -29.8187 67.282 -32.7521 22.8023 -181.342 PRESSAVG: 521000 -18.4079 24.3671 24.6366 24.3671 -54.4552 -4.91083 24.6367 -4.91082 31.1387 GPRESSAVG: 521000 -19.6005 23.696 24.4525 25.9339 -55.0283 -4.2989 24.5022 -3.57341 33.4133 TIMING: 521000 CPU: 1552.24, 0.0029643/step Wall: 1552.24, 0.0029643/step, 3.68809 hours remaining, 207.519531 MB of memory in use. ENERGY: 521000 722.1851 2116.2461 1969.3772 116.7137 -205750.3486 17531.6791 0.0000 0.0000 34314.0603 -148980.0870 299.6732 -183294.1473 -148888.8246 299.1829 -200.7400 -171.3029 558287.2712 -13.9081 -13.7385 PRESSURE: 521200 -282.989 28.7781 -2.62652 28.7779 -307.371 -59.536 -2.6269 -59.5356 -104.77 GPRESSURE: 521200 -223.339 37.136 6.03325 -98.8731 -319.769 -27.4454 12.8012 -35.8973 -51.8557 PRESSAVG: 521200 0.524682 44.8291 39.8781 44.8291 37.8717 -54.5261 39.8782 -54.5261 22.4112 GPRESSAVG: 521200 1.67483 46.3203 39.9141 42.1838 38.3173 -54.0752 39.3324 -56.705 20.5648 TIMING: 521200 CPU: 1552.83, 0.00297789/step Wall: 1552.83, 0.00297789/step, 3.70483 hours remaining, 207.519531 MB of memory in use. ENERGY: 521200 716.6368 2078.2981 1936.5562 112.4787 -205954.9144 17564.8930 0.0000 0.0000 34596.5955 -148949.4562 302.1407 -183546.0517 -148849.5913 300.2521 -231.7101 -198.3213 557608.3522 20.2692 20.1856 PRESSURE: 521400 -119.206 -80.1902 69.564 -80.1909 224.671 51.6556 69.564 51.656 11.2745 GPRESSURE: 521400 -28.0827 -132.674 -7.10523 35.6273 243.154 77.3423 171.19 84.4639 -4.76163 PRESSAVG: 521400 13.9799 -8.85607 15.9939 -8.85615 34.0262 12.8249 15.9939 12.8249 -33.2289 GPRESSAVG: 521400 15.8139 -8.48716 14.156 -9.54287 33.3789 12.0483 17.2177 14.7568 -34.5149 TIMING: 521400 CPU: 1553.42, 0.00293866/step Wall: 1553.42, 0.00293866/step, 3.65585 hours remaining, 207.519531 MB of memory in use. ENERGY: 521400 736.7550 2054.7758 1947.8527 125.6195 -206015.0516 17766.5614 0.0000 0.0000 34420.9344 -148962.5528 300.6066 -183383.4873 -148860.0175 300.1099 38.9133 70.1031 556682.8109 4.9258 4.8926 PRESSURE: 521600 -202.648 -123.281 -82.6349 -123.282 34.9002 1.52766 -82.6336 1.52655 -201.74 GPRESSURE: 521600 -182.137 -173.853 2.38042 -59.6958 70.4191 -23.2643 -136.548 17.1009 -158.698 PRESSAVG: 521600 -21.8412 -5.50409 -21.8703 -5.50407 41.0369 25.8956 -21.8702 25.8955 -15.388 GPRESSAVG: 521600 -21.6566 -7.31394 -18.335 -2.10635 40.6998 24.2601 -23.5204 25.2664 -14.8804 TIMING: 521600 CPU: 1554.01, 0.00294231/step Wall: 1554.01, 0.00294231/step, 3.66024 hours remaining, 207.519531 MB of memory in use. ENERGY: 521600 730.2174 2057.3849 1955.9101 120.9324 -206036.4112 17623.7278 0.0000 0.0000 34566.5519 -148981.6868 301.8783 -183548.2386 -148885.5602 300.1889 -123.1627 -90.1388 557793.6422 1.2692 1.3876 PRESSURE: 521800 5.85681 -88.2164 47.6071 -88.2152 58.8295 -109.224 47.6085 -109.223 42.4026 GPRESSURE: 521800 52.1016 -164.705 -43.3959 -38.4302 81.9297 -190.097 99.24 63.305 76.1967 PRESSAVG: 521800 -16.3438 -8.90402 -7.07225 -8.90412 -15.4916 2.52122 -7.07227 2.52114 7.79995 GPRESSAVG: 521800 -17.6032 -7.01814 -10.0105 -10.3933 -15.6004 6.0316 -4.80051 0.353787 9.10636 TIMING: 521800 CPU: 1554.59, 0.00293323/step Wall: 1554.59, 0.00293323/step, 3.64878 hours remaining, 207.519531 MB of memory in use. ENERGY: 521800 772.7770 2054.0530 1921.5427 111.7002 -206440.8560 18084.5884 0.0000 0.0000 34271.5928 -149224.6019 299.3023 -183496.1947 -149123.7332 299.4298 35.6963 70.0760 558663.2884 -8.0118 -8.0324 PRESSURE: 522000 98.051 -236 28.0189 -236.001 191.256 -131.248 28.0182 -131.247 254.807 GPRESSURE: 522000 138.381 -263.043 54.1891 -132.274 230.432 -165.624 -26.457 -109.502 272.059 PRESSAVG: 522000 44.3396 -10.2731 13.1881 -10.2731 -8.32002 -14.6546 13.1881 -14.6545 18.9547 GPRESSAVG: 522000 46.2156 -10.0669 13.9109 -10.8622 -8.11295 -15.706 9.98618 -11.5748 16.7415 TIMING: 522000 CPU: 1555.18, 0.00292888/step Wall: 1555.18, 0.00292888/step, 3.6432 hours remaining, 207.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 522000 747.7068 2045.7159 1901.1910 115.0963 -206405.6490 18072.7454 0.0000 0.0000 34227.9077 -149295.2859 298.9208 -183523.1936 -149192.2181 299.7251 181.3713 213.6237 557312.7335 18.3248 18.2814 PRESSURE: 522200 16.6032 12.1434 76.6313 12.1431 -81.5147 147.537 76.6305 147.537 -8.89154 GPRESSURE: 522200 84.6148 39.3852 67.6147 -6.88963 -34.7003 129.744 64.2357 226.508 -11.1025 PRESSAVG: 522200 6.82259 0.911505 1.92625 0.911395 -19.2046 13.7627 1.92627 13.7627 3.00525 GPRESSAVG: 522200 3.98271 -0.40631 2.01107 3.15213 -17.9309 14.1671 1.27638 9.97278 4.49711 TIMING: 522200 CPU: 1555.77, 0.00292848/step Wall: 1555.77, 0.00292848/step, 3.64254 hours remaining, 207.519531 MB of memory in use. ENERGY: 522200 709.2216 2074.8599 1938.0111 94.6901 -206294.5012 17881.1441 0.0000 0.0000 34205.9432 -149390.6312 298.7290 -183596.5744 -149297.0031 298.6184 -24.6010 12.9374 558643.4862 -3.1256 -3.1504 PRESSURE: 522400 -135.477 -146.654 -2.14441 -146.656 19.1401 -0.258795 -2.14386 -0.258232 11.1039 GPRESSURE: 522400 -112.505 -122.506 35.1147 -172.804 74.9458 15.2388 -7.23871 -102.624 34.003 PRESSAVG: 522400 -61.2429 11.5585 31.9941 11.5585 -1.18434 10.2007 31.994 10.2006 22.7901 GPRESSAVG: 522400 -59.5447 12.7054 31.1425 9.09549 -2.47325 7.99357 34.1057 12.3644 22.482 TIMING: 522400 CPU: 1556.35, 0.00292009/step Wall: 1556.35, 0.00292009/step, 3.63194 hours remaining, 207.519531 MB of memory in use. ENERGY: 522400 741.6127 2075.2547 1936.7453 111.1199 -206188.7952 17650.3883 0.0000 0.0000 34123.2254 -149550.4487 298.0066 -183673.6741 -149461.3361 298.8471 -35.0778 -1.1853 557251.6951 -13.2124 -13.1787 PRESSURE: 522600 -3.5571 9.22281 -51.6625 9.22208 68.7223 -86.0296 -51.6624 -86.0296 -23.1761 GPRESSURE: 522600 -42.439 -8.60192 -47.8429 94.187 135.28 -169.707 -81.6024 -107.821 35.9068 PRESSAVG: 522600 -22.8494 -38.785 9.54282 -38.7849 14.1819 -27.3462 9.54278 -27.3461 -21.1807 GPRESSAVG: 522600 -24.2081 -38.5139 10.2058 -37.0624 15.1927 -23.9615 10.3502 -28.3721 -20.6556 TIMING: 522600 CPU: 1556.94, 0.00294153/step Wall: 1556.94, 0.00294153/step, 3.65844 hours remaining, 207.519531 MB of memory in use. ENERGY: 522600 762.2492 2054.2703 1945.8691 120.5313 -206550.6112 17905.3242 0.0000 0.0000 34220.7637 -149541.6034 298.8584 -183762.3671 -149440.2243 298.5647 13.9964 42.9160 557308.0426 -9.9494 -9.8904 PRESSURE: 522800 130.208 14.5162 23.3107 14.5163 40.7969 -65.4353 23.3093 -65.4358 -12.9541 GPRESSURE: 522800 147.072 -11.3323 -19.867 79.7783 45.6785 -59.3102 63.7116 -12.9863 55.3315 PRESSAVG: 522800 13.7701 -46.0821 -40.2878 -46.0821 57.3914 -27.364 -40.2878 -27.364 -93.9623 GPRESSAVG: 522800 14.7255 -48.5487 -40.2294 -45.97 57.3183 -31.1625 -40.5359 -25.3047 -94.4788 TIMING: 522800 CPU: 1557.54, 0.00299533/step Wall: 1557.54, 0.00299533/step, 3.7252 hours remaining, 207.519531 MB of memory in use. ENERGY: 522800 758.0570 2097.3189 1938.9833 112.7757 -206196.1936 17850.3955 0.0000 0.0000 34212.6884 -149225.9747 298.7879 -183438.6631 -149122.4963 298.7400 52.6837 82.6941 558060.0503 -7.6003 -7.4783 PRESSURE: 523000 -13.8492 31.131 -57.612 31.1314 -109.718 -91.5135 -57.6124 -91.513 322.411 GPRESSURE: 523000 21.3928 -30.9091 -195.58 160.873 -66.9125 -114.916 60.9836 -125.961 344.679 PRESSAVG: 523000 -44.4051 -18.654 -19.8534 -18.654 36.2794 -15.8875 -19.8531 -15.8874 19.2545 GPRESSAVG: 523000 -45.1349 -15.0796 -19.5869 -19.0289 36.9077 -14.2251 -21.0775 -15.5585 19.8426 TIMING: 523000 CPU: 1558.14, 0.00299515/step Wall: 1558.14, 0.00299515/step, 3.7248 hours remaining, 207.519531 MB of memory in use. ENERGY: 523000 750.6035 2144.9110 1946.1700 106.1328 -206269.9181 17974.6077 0.0000 0.0000 34413.1123 -148934.3807 300.5383 -183347.4931 -148841.9035 299.6613 66.2812 99.7199 557585.5044 3.7096 3.8718 PRESSURE: 523200 -68.0161 -90.7264 42.6957 -90.7267 -63.9442 -315.734 42.6975 -315.733 -136.375 GPRESSURE: 523200 -48.0707 -75.986 -22.3167 -145.09 -37.8264 -177.507 -22.4089 -355.258 -66.0098 PRESSAVG: 523200 -17.6937 -4.27397 -33.3652 -4.27414 45.512 -30.8285 -33.3651 -30.8285 -40.1518 GPRESSAVG: 523200 -15.9736 -6.40683 -35.0345 -2.28541 44.7399 -28.6498 -32.8233 -33.2628 -41.1943 TIMING: 523200 CPU: 1558.73, 0.00298545/step Wall: 1558.73, 0.00298545/step, 3.71257 hours remaining, 207.519531 MB of memory in use. ENERGY: 523200 756.5619 2125.4469 1963.1750 113.2091 -205951.5954 17664.2111 0.0000 0.0000 34587.5083 -148741.4830 302.0613 -183328.9913 -148642.7118 300.0124 -89.4452 -50.6356 557894.1820 -4.1112 -4.1427 PRESSURE: 523400 208.349 14.0706 8.1776 14.0702 -114.043 -25.1116 8.17749 -25.1119 -75.0285 GPRESSURE: 523400 214.84 22.5367 13.5821 1.25804 -61.4658 -52.6242 103.62 -104.822 -44.6231 PRESSAVG: 523400 -8.30654 33.587 35.0724 33.587 7.80305 -15.0608 35.0724 -15.0607 15.8788 GPRESSAVG: 523400 -7.76523 33.5979 34.899 28.9026 7.52189 -17.4132 34.4262 -14.4677 15.9309 TIMING: 523400 CPU: 1559.33, 0.00297595/step Wall: 1559.33, 0.00297595/step, 3.70059 hours remaining, 207.519531 MB of memory in use. ENERGY: 523400 717.8631 2094.0385 1956.4468 121.2360 -206013.1902 17906.1360 0.0000 0.0000 34628.0935 -148589.3763 302.4158 -183217.4698 -148487.5360 301.5528 6.4259 36.2504 557925.2330 5.1251 5.2292 PRESSURE: 523600 -146.876 -41.5565 26.762 -41.5579 88.5158 -48.7828 26.7629 -48.7818 185.741 GPRESSURE: 523600 -61.99 15.5356 122.072 -75.3781 30.4043 -86.9519 66.7772 -98.4333 243.127 PRESSAVG: 523600 -31.2514 -1.428 32.4581 -1.42811 18.1963 -20.9711 32.4581 -20.9712 -3.68203 GPRESSAVG: 523600 -32.0651 0.516365 33.6486 -0.678522 17.4265 -19.4543 30.9345 -23.5106 -2.45862 TIMING: 523600 CPU: 1559.92, 0.00297071/step Wall: 1559.92, 0.00297071/step, 3.69391 hours remaining, 207.519531 MB of memory in use. ENERGY: 523600 729.8014 2069.6725 1941.9059 104.6606 -206402.7189 18022.1128 0.0000 0.0000 34583.1999 -148951.3656 302.0237 -183534.5656 -148852.9958 300.4654 42.4602 70.5138 558110.9848 -5.5790 -5.6991 PRESSURE: 523800 -50.1814 -54.3103 -12.5835 -54.3095 -112.573 -124.123 -12.5835 -124.123 153.001 GPRESSURE: 523800 -22.2607 -61.5269 -14.4867 -103.78 -70.395 -152.033 -60.2091 -80.6281 179.058 PRESSAVG: 523800 -86.6421 -17.4515 -22.7623 -17.4515 14.6172 -7.76537 -22.7624 -7.76547 48.4511 GPRESSAVG: 523800 -86.365 -19.3167 -22.9799 -14.6861 15.6804 -9.64175 -22.3683 -4.6652 47.1092 TIMING: 523800 CPU: 1560.51, 0.00295407/step Wall: 1560.51, 0.00295407/step, 3.67306 hours remaining, 207.519531 MB of memory in use. ENERGY: 523800 738.9531 2088.7893 1949.9587 117.8678 -206067.5439 17887.1173 0.0000 0.0000 34280.4005 -149004.4573 299.3793 -183284.8577 -148910.2203 299.5690 -3.2509 28.8008 558947.8159 -7.8579 -7.8585 PRESSURE: 524000 121.876 -12.4973 146.682 -12.4982 141.274 -8.08625 146.682 -8.08692 -114.325 GPRESSURE: 524000 138.218 33.2323 127.001 -59.0204 184.029 -54.7184 108.041 68.0487 -58.4483 PRESSAVG: 524000 1.87341 -66.2878 44.6639 -66.2878 4.96936 -14.9786 44.6639 -14.9786 25.1455 GPRESSAVG: 524000 2.27662 -65.8185 45.1559 -67.5445 4.13681 -14.0165 44.837 -16.496 26.264 TIMING: 524000 CPU: 1561.1, 0.0029445/step Wall: 1561.1, 0.0029445/step, 3.661 hours remaining, 207.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 524000 759.8493 2061.7674 1908.1632 106.5034 -206111.9788 17793.2598 0.0000 0.0000 34453.4667 -149028.9689 300.8907 -183482.4356 -148933.4859 300.1781 49.6084 87.9331 557757.0287 10.6628 10.8925 PRESSURE: 524200 92.2966 -39.221 58.4233 -39.2226 -298.861 -37.6963 58.4237 -37.6959 -58.2052 GPRESSURE: 524200 96.3406 -20.3082 93.7782 -93.9807 -226.582 -94.8708 73.6992 4.53861 -49.0957 PRESSAVG: 524200 14.7513 18.3238 5.48913 18.3239 -28.0992 -41.5315 5.4891 -41.5316 38.5528 GPRESSAVG: 524200 14.7611 16.5932 4.14704 19.9418 -28.1657 -44.9321 6.24736 -39.7424 38.6386 TIMING: 524200 CPU: 1561.69, 0.00295593/step Wall: 1561.69, 0.00295593/step, 3.67504 hours remaining, 207.519531 MB of memory in use. ENERGY: 524200 720.2834 2107.6254 1920.0617 119.3596 -205542.0935 17594.1709 0.0000 0.0000 34255.6806 -148824.9120 299.1634 -183080.5925 -148731.2373 300.0953 -88.2564 -59.7790 559664.7697 8.4017 8.4113 LDB: ============= START OF LOAD BALANCING ============== 1565.24 LDB: ============== END OF LOAD BALANCING =============== 1565.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1565.24 LDB: ============= START OF LOAD BALANCING ============== 1565.54 LDB: Largest compute 4796 load 0.029683 is 25.1% of average load 0.118086 LDB: Average compute 0.001746 is 1.5% of average load 0.118086 LDB: TIME 1565.54 LOAD: AVG 0.118086 MAX 0.203306 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.172 MB LDB: TIME 1565.54 LOAD: AVG 0.118086 MAX 0.203306 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.176 MB LDB: TIME 1565.54 LOAD: AVG 0.118086 MAX 0.203306 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.176 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1565.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1565.55 PRESSURE: 524400 55.4511 -100.673 23.5566 -100.674 -94.926 -55.1622 23.5559 -55.163 125.941 GPRESSURE: 524400 83.6506 -109.339 42.1779 86.1004 -56.6817 -42.7835 11.1029 -48.4216 163.146 PRESSAVG: 524400 38.9739 6.17627 -2.03195 6.17633 -41.361 -3.16049 -2.03202 -3.16037 5.55675 GPRESSAVG: 524400 39.8004 8.1307 -0.328938 4.07762 -40.5943 -0.736273 -3.94005 -4.86343 4.59292 TIMING: 524400 CPU: 1562.3, 0.00302941/step Wall: 1562.3, 0.00302941/step, 3.76623 hours remaining, 207.453125 MB of memory in use. ENERGY: 524400 728.7190 2109.9420 1962.9272 107.7642 -205509.4353 17613.3629 0.0000 0.0000 34239.0284 -148747.6916 299.0180 -182986.7200 -148655.6247 300.9672 28.8220 63.3717 558967.6932 1.0566 1.2663 PRESSURE: 524600 -269.234 28.1536 76.8273 28.1537 -106.4 -15.5622 76.8271 -15.5642 -314.329 GPRESSURE: 524600 -220.063 18.6043 -10.1873 12.6479 -92.0931 -40.0499 177.704 -97.5369 -277.667 PRESSAVG: 524600 42.8254 3.80426 -5.7346 3.80422 23.7728 36.7572 -5.73453 36.7573 -55.4427 GPRESSAVG: 524600 42.033 2.35965 -3.6275 4.72437 23.6178 36.2935 -4.74507 37.2778 -53.8144 TIMING: 524600 CPU: 1562.89, 0.00295964/step Wall: 1562.89, 0.00295964/step, 3.67933 hours remaining, 207.453125 MB of memory in use. ENERGY: 524600 741.5370 2095.2143 1949.3494 113.4307 -205709.0489 17318.3825 0.0000 0.0000 34637.0670 -148854.0680 302.4941 -183491.1350 -148757.1554 301.1155 -229.9877 -196.6075 558714.5973 3.7185 3.9455 PRESSURE: 524800 -22.2267 -27.0219 81.9003 -27.0219 101.812 -43.7366 81.9011 -43.7361 -99.8731 GPRESSURE: 524800 32.5491 34.5393 80.9978 -0.23662 130.859 40.1693 13.64 -167.775 -96.2163 PRESSAVG: 524800 -14.1787 -4.02322 -23.5177 -4.02331 47.8051 -1.49465 -23.5176 -1.49471 -5.24389 GPRESSAVG: 524800 -13.5196 -2.56255 -25.7876 -4.07283 47.8581 -1.61235 -23.1358 -0.591979 -6.63667 TIMING: 524800 CPU: 1563.49, 0.00297962/step Wall: 1563.49, 0.00297962/step, 3.704 hours remaining, 207.453125 MB of memory in use. ENERGY: 524800 800.6468 2050.3612 1930.4941 114.4224 -205930.2490 17771.2692 0.0000 0.0000 34280.5591 -148982.4963 299.3806 -183263.0554 -148880.7435 300.6129 -6.7625 22.3973 558402.7772 9.4609 9.2339 PRESSURE: 525000 152.204 -219.911 18.8792 -219.911 -120.364 -62.6402 18.8788 -62.6398 -55.5891 GPRESSURE: 525000 129.445 -156.291 -29.1622 -321.075 -72.126 -37.4275 116.582 -77.8864 5.9313 PRESSAVG: 525000 49.2423 -15.6732 -20.6278 -15.6732 33.7212 4.47209 -20.6279 4.47216 -100.474 GPRESSAVG: 525000 48.0255 -16.105 -21.3814 -17.5433 34.1282 3.8725 -18.7725 4.03687 -99.9211 TIMING: 525000 CPU: 1564.08, 0.00296035/step Wall: 1564.08, 0.00296035/step, 3.67988 hours remaining, 207.453125 MB of memory in use. ENERGY: 525000 707.9959 2154.7485 1926.0796 110.7486 -205649.2528 17581.4361 0.0000 0.0000 34302.7051 -148865.5389 299.5741 -183168.2440 -148767.1716 300.5560 -7.9161 21.0834 558151.5914 -5.8369 -5.9225 PRESSURE: 525200 6.59676 -30.9952 -127.303 -30.9955 -211.559 181.625 -127.303 181.626 -88.4916 GPRESSURE: 525200 53.7585 18.3687 -111.828 -50.7439 -168.603 183.849 -106.745 109.502 -74.7756 PRESSAVG: 525200 1.83025 -31.0289 -12.9962 -31.0289 17.9763 12.3003 -12.9962 12.3002 -56.7452 GPRESSAVG: 525200 1.89765 -29.6801 -13.0922 -32.0803 18.1124 11.2607 -14.2244 13.6773 -57.057 TIMING: 525200 CPU: 1564.67, 0.00295491/step Wall: 1564.67, 0.00295491/step, 3.67295 hours remaining, 207.453125 MB of memory in use. ENERGY: 525200 768.3028 2145.4725 1931.9171 116.7791 -205612.2431 17481.4921 0.0000 0.0000 34248.6037 -148919.6757 299.1016 -183168.2795 -148818.0419 300.4061 -97.8179 -63.2069 557599.1157 -12.3129 -12.3490 PRESSURE: 525400 -23.9797 -54.9255 46.016 -54.9269 108.847 63.1032 46.0141 63.1031 136.44 GPRESSURE: 525400 47.5653 -38.7949 71.0322 -159.823 106.325 42.2256 116.953 33.0749 157.563 PRESSAVG: 525400 -14.9572 14.9439 -1.5648 14.9439 17.9958 -13.9869 -1.56481 -13.9868 -0.303042 GPRESSAVG: 525400 -14.4302 13.5682 -0.76346 17.067 16.9027 -12.1746 -0.837374 -14.7333 -0.338027 TIMING: 525400 CPU: 1565.26, 0.00296261/step Wall: 1565.26, 0.00296261/step, 3.68236 hours remaining, 207.453125 MB of memory in use. ENERGY: 525400 805.5759 2120.1152 1931.8532 108.0463 -206274.0320 18035.3389 0.0000 0.0000 34347.0652 -148926.0374 299.9615 -183273.1026 -148829.8164 299.9241 73.7693 103.8179 556898.0100 0.9119 0.7115 PRESSURE: 525600 -212.906 -204.742 -141.337 -204.742 221.039 -30.8586 -141.338 -30.8573 -81.4963 GPRESSURE: 525600 -200.125 -99.2384 -143.08 -155.737 269.868 -1.8434 -139.158 5.83266 -45.8252 PRESSAVG: 525600 -67.0712 -11.0521 -23.9016 -11.0521 41.2243 -3.22425 -23.9015 -3.2243 11.5214 GPRESSAVG: 525600 -67.8843 -10.6039 -24.5665 -9.86059 41.9745 -4.39474 -27.0146 -2.61369 11.6636 TIMING: 525600 CPU: 1565.85, 0.00294972/step Wall: 1565.85, 0.00294972/step, 3.66618 hours remaining, 207.453125 MB of memory in use. ENERGY: 525600 762.4271 2122.7752 1929.1129 106.8940 -206180.6619 17897.2124 0.0000 0.0000 34414.7469 -148947.4935 300.5525 -183362.2404 -148848.2882 299.7781 -24.4545 7.9726 559393.8591 -4.7751 -4.7487 PRESSURE: 525800 -134.948 -54.7102 48.0943 -54.7096 119.359 76.2934 48.0935 76.2939 -31.18 GPRESSURE: 525800 -117.751 -129.717 89.573 -109.616 159.677 82.5858 24.7923 9.74447 12.3158 PRESSAVG: 525800 -48.7026 -71.6769 -40.7491 -71.6769 36.2698 24.1152 -40.7491 24.1151 8.80347 GPRESSAVG: 525800 -49.053 -70.3363 -40.2126 -72.2084 36.1931 26.728 -39.1792 21.616 9.21955 TIMING: 525800 CPU: 1566.45, 0.00296467/step Wall: 1566.45, 0.00296468/step, 3.6846 hours remaining, 207.453125 MB of memory in use. ENERGY: 525800 783.7689 2137.3638 1941.3309 124.0517 -206033.6737 17847.1212 0.0000 0.0000 34331.9330 -148868.1042 299.8293 -183200.0372 -148771.8845 299.6119 -15.5898 18.0808 560132.5870 -1.2098 -1.2135 PRESSURE: 526000 143.571 -22.4757 55.8423 -22.476 301.205 68.0021 55.8424 67.9995 1.85113 GPRESSURE: 526000 172.18 -7.35691 49.322 -76.1075 332.286 99.3976 69.1999 66.9914 32.4728 PRESSAVG: 526000 -62.2731 -65.8411 11.3681 -65.8412 100.761 -8.37201 11.368 -8.37202 -2.20951 GPRESSAVG: 526000 -61.8286 -66.8558 12.4071 -65.6039 100.635 -8.43539 11.6441 -8.69386 -2.58108 TIMING: 526000 CPU: 1567.04, 0.00297467/step Wall: 1567.04, 0.00297467/step, 3.69685 hours remaining, 207.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 526000 720.4483 2143.5826 1914.9372 132.1655 -205821.8413 17834.3293 0.0000 0.0000 34256.6040 -148819.7744 299.1714 -183076.3784 -148711.2077 300.0842 148.8757 178.9794 558397.8189 12.0928 12.0752 PRESSURE: 526200 -320.498 -91.3903 -56.7995 -91.3898 -13.2129 -48.8732 -56.7989 -48.8731 140.512 GPRESSURE: 526200 -266.293 -155.715 -123.986 22.1617 -21.1757 -39.9096 -28.3621 14.3801 195.986 PRESSAVG: 526200 -112.772 -6.92065 -27.3557 -6.92062 56.2246 18.4494 -27.3559 18.4492 30.6367 GPRESSAVG: 526200 -112.544 -9.47201 -28.7684 -3.98947 56.0106 17.1331 -25.4628 21.0566 30.872 TIMING: 526200 CPU: 1567.63, 0.0029626/step Wall: 1567.63, 0.0029626/step, 3.68169 hours remaining, 207.453125 MB of memory in use. ENERGY: 526200 748.6528 2175.5481 1931.7002 106.3663 -206035.5314 17778.5165 0.0000 0.0000 34402.6078 -148892.1397 300.4465 -183294.7475 -148797.2113 300.6181 -64.3996 -30.4942 558089.2526 -8.6368 -8.5539 PRESSURE: 526400 120.102 -82.3408 91.5531 -82.3426 -195.256 -118.642 91.5519 -118.64 296.459 GPRESSURE: 526400 169.28 31.1932 72.0037 -170.846 -159.645 -160.157 82.9947 -126.606 304.174 PRESSAVG: 526400 12.9987 7.13907 9.96664 7.13911 8.7925 7.28643 9.96658 7.28634 -34.4582 GPRESSAVG: 526400 13.6478 8.87957 11.4567 3.80164 9.05877 8.26451 8.12071 6.87959 -35.1627 TIMING: 526400 CPU: 1568.23, 0.00295884/step Wall: 1568.23, 0.00295884/step, 3.67685 hours remaining, 207.453125 MB of memory in use. ENERGY: 526400 743.2156 2143.6563 1961.7321 117.5482 -206026.1218 17874.5683 0.0000 0.0000 34261.5575 -148923.8439 299.2147 -183185.4014 -148834.8642 300.3486 73.7683 104.6030 558674.7411 -4.2223 -4.1520 PRESSURE: 526600 75.6634 92.2985 22.9364 92.2977 1.97396 145.515 22.9359 145.515 243.691 GPRESSURE: 526600 66.2023 147.092 113.371 67.5485 90.2414 71.7617 36.1771 72.7393 245.916 PRESSAVG: 526600 -5.08877 17.5664 47.2078 17.5664 -48.6342 -8.92206 47.2077 -8.922 69.7647 GPRESSAVG: 526600 -5.86647 19.6335 47.0545 17.6325 -49.1628 -10.2002 46.5952 -9.41163 70.5806 TIMING: 526600 CPU: 1568.82, 0.00295272/step Wall: 1568.82, 0.00295272/step, 3.66908 hours remaining, 207.453125 MB of memory in use. ENERGY: 526600 688.9026 2159.1185 1946.2160 108.1811 -206079.1840 17796.7949 0.0000 0.0000 34415.1026 -148964.8682 300.5557 -183379.9709 -148864.6102 300.2707 107.1095 134.1201 558655.9056 5.3472 5.1838 PRESSURE: 526800 46.9604 -12.4052 -98.8837 -12.4058 -106.599 -103.117 -98.8838 -103.119 -220.537 GPRESSURE: 526800 65.7178 -87.3557 -44.808 76.8103 -35.9457 -70.5498 -106.587 -192.345 -212.746 PRESSAVG: 526800 -36.5993 14.2178 39.6125 14.2178 -114.456 38.8171 39.6125 38.8171 74.5471 GPRESSAVG: 526800 -37.1479 13.5296 39.6284 13.3338 -113.633 41.7701 38.3143 36.6329 73.8322 TIMING: 526800 CPU: 1569.41, 0.00298389/step Wall: 1569.41, 0.00298389/step, 3.70765 hours remaining, 207.453125 MB of memory in use. ENERGY: 526800 699.4355 2113.1812 1944.4182 112.9351 -205450.5106 17318.1480 0.0000 0.0000 34325.6287 -148936.7638 299.7743 -183262.3925 -148834.0643 300.8914 -93.3916 -60.9915 558061.9918 -25.5028 -25.6495 PRESSURE: 527000 -124.522 -52.2725 -86.7604 -52.2721 103.659 -216.302 -86.7602 -216.301 -95.241 GPRESSURE: 527000 -45.4395 -4.32241 -159.999 -24.4359 109.071 -218.483 -110.121 -221.704 -82.1327 PRESSAVG: 527000 7.92937 30.4258 -6.84159 30.4259 27.2306 32.501 -6.84158 32.5012 -60.8605 GPRESSAVG: 527000 8.2963 28.8533 -8.76732 32.2296 26.7273 31.2574 -6.54934 33.5902 -60.3556 TIMING: 527000 CPU: 1570, 0.00295635/step Wall: 1570, 0.00295635/step, 3.67327 hours remaining, 207.453125 MB of memory in use. ENERGY: 527000 746.7905 2102.0709 1939.9739 116.2768 -205964.4010 17737.6079 0.0000 0.0000 34407.9107 -148913.7703 300.4928 -183321.6810 -148811.8888 299.7422 -38.7013 -6.1671 557690.2036 -8.5669 -8.4440 PRESSURE: 527200 -93.6545 -135.252 -197.001 -135.253 -159.73 94.2949 -197.003 94.2959 -257.219 GPRESSURE: 527200 -95.7612 -78.338 -277.783 -106.663 -83.3074 134.816 -184.821 47.3718 -243.629 PRESSAVG: 527200 52.0316 -17.8886 -69.7104 -17.8886 -49.9394 60.4619 -69.7105 60.4619 7.12231 GPRESSAVG: 527200 52.0224 -16.745 -70.1073 -19.7267 -49.7687 59.3879 -67.6461 62.6181 7.1686 TIMING: 527200 CPU: 1570.59, 0.00292424/step Wall: 1570.59, 0.00292424/step, 3.63321 hours remaining, 207.453125 MB of memory in use. ENERGY: 527200 704.6756 2095.4357 1940.2237 123.1029 -206027.0633 17561.1278 0.0000 0.0000 34550.6110 -149051.8867 301.7391 -183602.4977 -148955.5517 300.6886 -170.2013 -140.8993 558903.3652 3.0715 3.1408 PRESSURE: 527400 -19.2662 78.2683 172.827 78.2692 -51.1517 3.21112 172.827 3.21173 -220.853 GPRESSURE: 527400 -5.3211 86.0469 124.834 -0.618783 13.8986 24.8565 91.7517 28.1484 -198.446 PRESSAVG: 527400 -34.0955 43.1278 -22.1399 43.1278 9.00291 23.4378 -22.1398 23.4378 7.72792 GPRESSAVG: 527400 -33.8478 43.5775 -21.3453 45.6483 9.49612 22.2303 -23.4389 23.4174 6.94034 TIMING: 527400 CPU: 1571.17, 0.00292968/step Wall: 1571.17, 0.00292968/step, 3.6398 hours remaining, 207.453125 MB of memory in use. ENERGY: 527400 743.2383 2101.5230 1932.0929 113.6010 -206133.8474 17805.8918 0.0000 0.0000 34361.8785 -149075.6219 300.0908 -183437.5004 -148975.0103 300.0440 -97.0904 -63.2895 559313.1968 -5.7882 -5.8038 PRESSURE: 527600 -320.609 98.9259 -64.7556 98.9265 118.845 -216.414 -64.7553 -216.416 50.917 GPRESSURE: 527600 -277.04 80.837 -78.6547 141.654 122.354 -199.141 2.17805 -287.452 100.986 PRESSAVG: 527600 -47.4275 -18.1282 58.1105 -18.1281 -1.42651 -6.76024 58.1105 -6.76016 42.6214 GPRESSAVG: 527600 -47.7505 -18.2482 58.8535 -19.8207 -0.743866 -5.88419 56.849 -6.98942 42.1886 TIMING: 527600 CPU: 1571.77, 0.00295427/step Wall: 1571.77, 0.00295427/step, 3.67019 hours remaining, 207.453125 MB of memory in use. ENERGY: 527600 727.2496 2144.3291 1962.1099 108.6918 -206139.6794 17743.0861 0.0000 0.0000 34428.9970 -149025.2158 300.6770 -183454.2128 -148927.8554 300.1764 -50.2823 -17.9000 558275.4226 -2.0776 -2.1019 PRESSURE: 527800 266.717 31.7434 107.693 31.7445 -122.216 -5.17231 107.692 -5.17099 130.108 GPRESSURE: 527800 285.733 33.4719 5.55794 -52.1111 -59.422 68.9051 165.173 -34.2776 148.396 PRESSAVG: 527800 -43.222 34.5339 31.7766 34.5339 40.6819 25.8294 31.7766 25.8294 9.56837 GPRESSAVG: 527800 -42.4416 33.676 30.4266 35.0114 39.094 25.2317 35.3799 26.4599 10.1621 TIMING: 527800 CPU: 1572.36, 0.00297246/step Wall: 1572.36, 0.00297246/step, 3.69262 hours remaining, 207.453125 MB of memory in use. ENERGY: 527800 749.4636 2129.6490 1920.7510 109.4397 -205840.9552 17819.5380 0.0000 0.0000 34142.5230 -148969.5909 298.1751 -183112.1140 -148875.3381 299.7539 91.5362 124.9023 557857.6210 2.3428 2.2715 PRESSURE: 528000 -101.209 159.599 -129.606 159.599 53.7452 14.6807 -129.607 14.6817 -194.054 GPRESSURE: 528000 -87.9562 116.479 -160.395 158.344 112.466 -13.7153 -139.598 69.266 -155.339 PRESSAVG: 528000 -23.1389 -41.4152 -3.43144 -41.4153 2.89965 17.5906 -3.43148 17.5907 39.9527 GPRESSAVG: 528000 -25.0903 -39.6823 -3.40772 -41.9128 4.40203 17.7526 -6.15733 16.2602 40.5599 TIMING: 528000 CPU: 1572.95, 0.00296839/step Wall: 1572.95, 0.00296839/step, 3.6874 hours remaining, 207.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 528000 743.2733 2108.6583 1931.0350 120.8621 -206144.6646 17889.6521 0.0000 0.0000 34527.4211 -148823.7625 301.5366 -183351.1837 -148721.2345 300.5599 -80.5059 -43.6094 558837.0614 6.5711 6.6239 PRESSURE: 528200 3.36916 113.738 41.5619 113.74 9.12496 -12.8206 41.5612 -12.8199 167.622 GPRESSURE: 528200 57.2821 133.944 -55.4614 82.9104 -13.1748 9.99595 49.2898 -48.6809 231.881 PRESSAVG: 528200 -10.8993 0.381815 -3.21847 0.38178 43.775 22.6703 -3.2185 22.6703 -6.12227 GPRESSAVG: 528200 -10.8269 0.762121 -3.22918 -0.11198 43.9239 22.3251 -2.27687 22.8355 -6.89939 TIMING: 528200 CPU: 1573.55, 0.00296358/step Wall: 1573.55, 0.00296358/step, 3.68126 hours remaining, 207.453125 MB of memory in use. ENERGY: 528200 709.0615 2141.8679 1915.8815 111.8040 -205792.3388 17779.0721 0.0000 0.0000 34467.7510 -148666.9008 301.0154 -183134.6518 -148571.3805 300.8107 60.0388 91.9961 557546.6106 8.9178 8.7325 LDB: ============= START OF LOAD BALANCING ============== 1577.09 LDB: ============== END OF LOAD BALANCING =============== 1577.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1577.09 LDB: ============= START OF LOAD BALANCING ============== 1577.39 LDB: Largest compute 4796 load 0.028401 is 24.1% of average load 0.118056 LDB: Average compute 0.001752 is 1.5% of average load 0.118056 LDB: TIME 1577.39 LOAD: AVG 0.118056 MAX 0.202409 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.48 MB LDB: TIME 1577.39 LOAD: AVG 0.118056 MAX 0.202409 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: TIME 1577.39 LOAD: AVG 0.118056 MAX 0.202409 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1577.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1577.4 PRESSURE: 528400 -22.5397 -110.064 -39.1068 -110.064 59.1387 9.40508 -39.1068 9.40573 -159.95 GPRESSURE: 528400 46.1267 -102.054 -70.4328 -150.39 91.9375 4.96806 97.6604 -4.70072 -144.796 PRESSAVG: 528400 -42.4825 -40.9486 7.26978 -40.9486 25.4236 -18.2474 7.26973 -18.2476 -9.08496 GPRESSAVG: 528400 -42.0079 -42.5681 6.70614 -38.5214 24.2282 -15.4197 8.41025 -19.4666 -8.2851 TIMING: 528400 CPU: 1574.15, 0.00301866/step Wall: 1574.15, 0.00301866/step, 3.74951 hours remaining, 205.968750 MB of memory in use. ENERGY: 528400 774.2243 2121.9434 1919.4980 105.9945 -205797.7759 17551.5584 0.0000 0.0000 34612.5298 -148712.0276 302.2798 -183324.5574 -148607.4608 300.4130 -41.1171 -2.2438 557420.2595 -8.7146 -8.6883 PRESSURE: 528600 9.02409 -91.5658 199.496 -91.5645 66.1583 113.149 199.496 113.149 -121.208 GPRESSURE: 528600 33.5537 -79.0933 193.826 -164.652 102.383 191.448 137.048 59.8117 -89.4821 PRESSAVG: 528600 -20.5047 15.4564 -9.87754 15.4564 45.9263 16.534 -9.87759 16.534 -67.5111 GPRESSAVG: 528600 -20.7093 16.4786 -8.80593 13.216 45.8889 16.2809 -10.1063 16.0153 -67.5706 TIMING: 528600 CPU: 1574.74, 0.00295075/step Wall: 1574.74, 0.00295075/step, 3.665 hours remaining, 205.968750 MB of memory in use. ENERGY: 528600 752.3188 2107.5078 1958.6954 102.4915 -206018.3482 17815.5300 0.0000 0.0000 34459.5745 -148822.2303 300.9440 -183281.8048 -148721.5883 300.5544 -15.3418 15.4847 557995.9343 -14.0298 -14.1303 PRESSURE: 528800 109.738 73.7233 22.8602 73.7237 240.15 -35.515 22.8601 -35.5163 130.255 GPRESSURE: 528800 114.722 86.3637 1.53925 28.7868 332.248 -65.071 48.5896 -77.3984 126.989 PRESSAVG: 528800 26.5939 42.8709 31.6389 42.8709 41.1654 -24.6748 31.639 -24.6749 -63.2537 GPRESSAVG: 528800 26.9652 43.8838 31.3541 42.7755 41.2193 -25.7956 31.8633 -21.4305 -63.9064 TIMING: 528800 CPU: 1575.33, 0.00296835/step Wall: 1575.33, 0.00296835/step, 3.68669 hours remaining, 205.968750 MB of memory in use. ENERGY: 528800 711.9899 2043.1655 1932.9785 118.0599 -206231.2076 17955.5410 0.0000 0.0000 34498.7983 -148970.6744 301.2866 -183469.4728 -148875.1179 299.8881 160.0478 191.3197 558571.9614 1.5019 1.4260 PRESSURE: 529000 -210.54 28.794 87.2953 28.7941 -111.403 25.2181 87.2956 25.2169 3.75507 GPRESSURE: 529000 -177.984 24.5185 31.8153 23.531 -90.3236 43.0432 36.3575 -19.5524 57.7235 PRESSAVG: 529000 -42.2415 -2.11673 53.6032 -2.11676 -3.30267 20.6149 53.6032 20.6148 62.2569 GPRESSAVG: 529000 -41.4614 -2.7395 54.6761 -1.54244 -3.27273 21.4691 51.6288 19.5566 61.6911 TIMING: 529000 CPU: 1575.93, 0.00298763/step Wall: 1575.93, 0.00298763/step, 3.71048 hours remaining, 205.968750 MB of memory in use. ENERGY: 529000 757.1642 2101.8785 1951.9706 116.5682 -206114.0574 17914.0395 0.0000 0.0000 34374.2857 -148898.1507 300.1992 -183272.4364 -148807.1065 300.7013 -106.0625 -70.1946 558730.1269 5.5709 5.6523 PRESSURE: 529200 51.6258 -33.8822 106.569 -33.8825 -61.7995 68.2586 106.569 68.2573 -135.309 GPRESSURE: 529200 82.5572 23.0943 131.732 -15.3438 -39.254 38.5659 17.2411 91.422 -106.526 PRESSAVG: 529200 0.0970224 41.5393 -0.562858 41.5393 54.0364 -30.295 -0.56284 -30.295 -37.5708 GPRESSAVG: 529200 -1.12652 41.2582 -1.65197 40.3458 54.9992 -28.1792 -0.0272902 -32.2694 -37.6143 TIMING: 529200 CPU: 1576.53, 0.00299924/step Wall: 1576.53, 0.00299924/step, 3.72473 hours remaining, 205.968750 MB of memory in use. ENERGY: 529200 740.8124 2093.1309 1942.1825 116.9283 -206115.0497 17826.9551 0.0000 0.0000 34399.7278 -148995.3128 300.4214 -183395.0406 -148895.0347 300.6555 -48.4941 -21.0744 558169.4654 5.5209 5.4195 PRESSURE: 529400 -217.682 -18.7734 74.1066 -18.7732 -272.853 11.3691 74.106 11.3692 -150.428 GPRESSURE: 529400 -170.794 -28.1452 8.50666 17.6681 -273.887 42.315 172.089 14.4103 -93.7234 PRESSAVG: 529400 32.4404 -25.7527 -40.0324 -25.7527 -48.2817 -31.1126 -40.0324 -31.1126 0.255483 GPRESSAVG: 529400 32.8266 -25.5886 -42.6803 -24.448 -49.605 -34.7226 -37.1164 -29.0696 1.34405 TIMING: 529400 CPU: 1577.13, 0.00296974/step Wall: 1577.13, 0.00296974/step, 3.68792 hours remaining, 205.968750 MB of memory in use. ENERGY: 529400 757.5293 2098.2491 1936.4182 131.4641 -205751.8349 17560.7859 0.0000 0.0000 34316.2016 -148951.1867 299.6919 -183267.3883 -148851.8108 300.1930 -213.6543 -179.4682 559252.7037 -5.1952 -5.1448 PRESSURE: 529600 -120.014 283.764 -143.586 283.764 -80.7971 -72.3839 -143.586 -72.3831 -155.54 GPRESSURE: 529600 -69.0218 253.854 -144.694 284.213 -54.0986 -44.6023 -83.9039 -127.28 -133.215 PRESSAVG: 529600 68.2879 37.5944 -19.08 37.5945 34.6621 -36.6428 -19.0801 -36.6428 -50.6962 GPRESSAVG: 529600 67.322 38.4261 -17.4206 37.209 35.0412 -34.1974 -22.2364 -37.7144 -50.4941 TIMING: 529600 CPU: 1577.72, 0.00296806/step Wall: 1577.72, 0.00296806/step, 3.68567 hours remaining, 205.968750 MB of memory in use. ENERGY: 529600 756.4575 2062.6508 1960.5295 117.2854 -205840.5351 17755.6054 0.0000 0.0000 34255.8075 -148932.1990 299.1645 -183188.0065 -148844.2931 299.7415 -118.7837 -85.4450 559424.0106 17.4179 17.2897 PRESSURE: 529800 161.327 2.51416 35.5177 2.5156 142.494 -172.976 35.5169 -172.976 -94.5912 GPRESSURE: 529800 176.452 -129.84 109.413 46.7312 159.926 -103.497 27.3824 -126.143 -29.9013 PRESSAVG: 529800 16.9646 11.5539 -11.6611 11.554 13.6093 -23.4413 -11.6612 -23.4413 -36.9897 GPRESSAVG: 529800 18.1785 9.65281 -10.5074 12.5714 14.4338 -25.3448 -12.0012 -22.098 -39.5874 TIMING: 529800 CPU: 1578.31, 0.00296529/step Wall: 1578.31, 0.00296529/step, 3.68207 hours remaining, 205.968750 MB of memory in use. ENERGY: 529800 766.9518 2096.5492 1916.1630 103.3642 -206313.6267 17935.4435 0.0000 0.0000 34476.1800 -149018.9750 301.0891 -183495.1550 -148918.8004 300.1048 69.7433 102.1590 557406.4891 -2.1386 -2.3250 PRESSURE: 530000 -59.6917 -135.801 96.9058 -135.801 28.1352 -51.9314 96.9051 -51.9323 34.0498 GPRESSURE: 530000 -92.8436 -75.4192 104.51 -192.071 130.744 -33.0956 52.6328 -47.5471 66.0688 PRESSAVG: 530000 -55.262 -14.7062 -13.1097 -14.7062 -11.9477 -32.8543 -13.1097 -32.8544 28.4982 GPRESSAVG: 530000 -57.2808 -14.9927 -14.1506 -15.326 -12.1479 -31.4986 -14.3743 -33.6182 30.5517 TIMING: 530000 CPU: 1578.9, 0.00294073/step Wall: 1578.9, 0.00294073/step, 3.65141 hours remaining, 205.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 530000 753.2120 2145.6632 1942.0807 104.3496 -206290.5038 17857.2081 0.0000 0.0000 34494.9520 -148993.0381 301.2530 -183487.9901 -148895.4784 300.2730 0.8311 34.6564 558601.2365 -12.9038 -12.9590 PRESSURE: 530200 -181.567 101.044 -176.705 101.043 -253.304 109.161 -176.706 109.162 196.568 GPRESSURE: 530200 -86.7044 23.428 -231.29 145.582 -185.333 55.6069 -222.898 101.155 126.154 PRESSAVG: 530200 -62.7685 -73.236 -50.3684 -73.236 44.6547 24.9254 -50.3684 24.9254 35.189 GPRESSAVG: 530200 -61.324 -72.3397 -48.4948 -72.9432 43.2027 23.9578 -48.837 25.4719 35.0107 TIMING: 530200 CPU: 1579.49, 0.00292719/step Wall: 1579.49, 0.00292719/step, 3.63444 hours remaining, 205.968750 MB of memory in use. ENERGY: 530200 743.0294 2090.8184 1934.5738 119.6173 -205668.0373 17530.3162 0.0000 0.0000 34348.1462 -148901.5360 299.9709 -183249.6821 -148806.7589 300.2152 -79.4343 -48.6276 557444.5947 5.6917 5.6298 PRESSURE: 530400 93.7102 -198.522 -101.089 -198.523 -187.879 -28.389 -101.089 -28.3876 -194.716 GPRESSURE: 530400 98.7047 -103.551 -78.1175 -263.261 -161.454 10.3624 -102.238 -94.5249 -139.909 PRESSAVG: 530400 35.2721 -9.9441 -27.0698 -9.94414 -24.3365 -26.9649 -27.0698 -26.9647 -2.99566 GPRESSAVG: 530400 34.4115 -7.16023 -28.272 -10.7218 -24.9327 -23.9542 -27.1328 -29.1762 -2.14654 TIMING: 530400 CPU: 1580.07, 0.00292583/step Wall: 1580.07, 0.00292583/step, 3.63258 hours remaining, 205.968750 MB of memory in use. ENERGY: 530400 771.2456 2049.3881 1907.6075 110.6879 -205770.8876 17701.4959 0.0000 0.0000 34256.3100 -148974.1526 299.1689 -183230.4627 -148868.1297 300.0018 -96.2949 -67.5527 559114.7094 2.6466 2.4441 PRESSURE: 530600 -61.2904 -95.1175 103.04 -95.1181 -124.049 -37.8535 103.039 -37.8541 -159.334 GPRESSURE: 530600 -18.3929 -130.137 73.9887 -86.459 -111.784 -134.421 67.2727 -19.165 -119.175 PRESSAVG: 530600 -26.0128 -22.6382 -4.87439 -22.6382 -12.3401 19.2409 -4.87442 19.2409 -11.1176 GPRESSAVG: 530600 -27.3375 -24.7561 -4.45387 -21.8481 -10.7177 16.5662 -5.63556 21.4232 -11.9706 TIMING: 530600 CPU: 1580.65, 0.00291364/step Wall: 1580.65, 0.00291364/step, 3.61728 hours remaining, 205.968750 MB of memory in use. ENERGY: 530600 775.8507 2074.9509 1911.0589 117.3134 -205920.8369 17531.6799 0.0000 0.0000 34273.9404 -149236.0426 299.3228 -183509.9830 -149140.4808 299.4369 -114.8912 -83.1173 555883.6756 -16.4901 -16.6753 PRESSURE: 530800 -101.502 40.3611 93.1977 40.3601 -74.3839 -147.07 93.1991 -147.07 -94.4146 GPRESSURE: 530800 -73.7713 94.0745 143.288 54.5641 -16.7321 -162.635 96.1286 -140.348 -80.8428 PRESSAVG: 530800 -16.3118 23.2525 -0.777165 23.2525 34.1692 -26.3687 -0.777147 -26.3688 -11.6049 GPRESSAVG: 530800 -15.7095 22.6127 -2.6955 22.8875 34.0331 -24.9654 1.8004 -24.6281 -12.3696 TIMING: 530800 CPU: 1581.24, 0.00292958/step Wall: 1581.24, 0.00292958/step, 3.63691 hours remaining, 205.968750 MB of memory in use. ENERGY: 530800 775.6287 2163.7643 1923.9051 105.3536 -206420.2797 17917.8383 0.0000 0.0000 34246.5273 -149287.2624 299.0834 -183533.7897 -149187.1191 299.8024 -90.1001 -57.1154 558613.1893 2.0842 1.9847 PRESSURE: 531000 312.848 -135.571 -136.586 -135.572 -33.6952 -55.0545 -136.584 -55.0537 356.473 GPRESSURE: 531000 340.555 -167.398 -147.689 -101.882 -1.22943 -79.9283 -193.25 20.2922 400.909 PRESSAVG: 531000 22.91 48.9183 -58.7243 48.9184 -50.8584 36.9008 -58.7243 36.9007 30.6545 GPRESSAVG: 531000 22.5496 51.6552 -58.7277 48.9505 -50.2443 35.0596 -59.0699 34.9499 30.2426 TIMING: 531000 CPU: 1581.82, 0.00292715/step Wall: 1581.82, 0.00292715/step, 3.63374 hours remaining, 205.968750 MB of memory in use. ENERGY: 531000 792.2540 2128.1711 1960.0710 108.3152 -206716.0962 18183.0035 0.0000 0.0000 34195.4631 -149348.8182 298.6375 -183544.2813 -149250.3430 298.9535 211.8754 246.7446 556528.0163 0.9020 0.8493 PRESSURE: 531200 -88.4009 -61.99 87.1479 -61.9898 -415.137 -39.7252 87.1471 -39.7253 -207.015 GPRESSURE: 531200 -53.362 -93.4441 102.213 -39.7967 -419.633 52.1353 89.0449 -79.8239 -155.368 PRESSAVG: 531200 57.2969 -13.0614 -7.47835 -13.0613 -53.8199 33.9893 -7.47829 33.9892 26.4023 GPRESSAVG: 531200 58.6621 -14.4684 -6.41688 -15.0506 -55.2289 35.1697 -7.56142 34.5002 26.4583 TIMING: 531200 CPU: 1582.41, 0.00293005/step Wall: 1582.41, 0.00293005/step, 3.63717 hours remaining, 205.968750 MB of memory in use. ENERGY: 531200 711.5873 2085.1459 1974.6543 106.5490 -205751.1987 17254.7759 0.0000 0.0000 34284.2776 -149334.2086 299.4131 -183618.4862 -149234.3523 299.3400 -236.8510 -209.4544 558486.6543 9.9597 9.9638 PRESSURE: 531400 -201.259 -153.287 -197.252 -153.288 -2.48272 46.6792 -197.251 46.6771 -279.984 GPRESSURE: 531400 -146.704 -144.924 -254.956 -190.34 44.7351 8.43076 -184.751 4.05085 -272.22 PRESSAVG: 531400 29.0266 14.9055 -42.9068 14.9055 12.4492 -2.84002 -42.9068 -2.84007 -9.00761 GPRESSAVG: 531400 28.7112 16.1656 -45.8187 15.5956 11.1364 -1.21046 -40.0618 -5.47318 -7.48439 TIMING: 531400 CPU: 1583, 0.00293589/step Wall: 1583, 0.00293589/step, 3.64425 hours remaining, 205.968750 MB of memory in use. ENERGY: 531400 730.0457 2149.8191 1951.0027 116.4812 -206043.6911 17579.3981 0.0000 0.0000 34049.5811 -149467.3633 297.3635 -183516.9444 -149363.1904 298.9952 -161.2417 -124.7296 558384.0226 10.8227 10.7877 PRESSURE: 531600 66.098 2.38872 -38.0202 2.38853 70.4914 21.3582 -38.0189 21.358 174.779 GPRESSURE: 531600 104.549 -59.2631 -84.7833 65.7033 104.509 -58.9621 -48.9089 77.8284 209.374 PRESSAVG: 531600 -1.74729 26.3301 -7.98829 26.3301 -8.66316 -28.7167 -7.98838 -28.717 25.5663 GPRESSAVG: 531600 -1.51598 23.3834 -5.71788 27.7813 -7.69524 -29.2283 -11.5719 -27.214 24.4321 TIMING: 531600 CPU: 1583.59, 0.00294717/step Wall: 1583.59, 0.00294717/step, 3.65809 hours remaining, 205.968750 MB of memory in use. ENERGY: 531600 754.2568 2063.5457 1975.7117 111.6358 -206821.1110 18273.0562 0.0000 0.0000 34165.8856 -149477.0191 298.3792 -183642.9048 -149382.8136 298.0636 103.7893 139.4771 557306.2962 5.0519 5.0736 PRESSURE: 531800 -34.1675 -26.5733 -104.351 -26.5741 -125.995 58.1015 -104.349 58.0995 -125.965 GPRESSURE: 531800 -17.0285 -55.894 -139.09 -3.00551 -140.345 59.2649 -112.457 138.261 -31.3514 PRESSAVG: 531800 -4.22945 20.522 13.5882 20.522 -16.271 16.2532 13.5883 16.2532 -8.38371 GPRESSAVG: 531800 -4.47631 21.9611 14.6252 19.716 -16.1173 13.9772 13.9692 16.3502 -8.4249 TIMING: 531800 CPU: 1584.18, 0.00295181/step Wall: 1584.18, 0.00295181/step, 3.66368 hours remaining, 205.968750 MB of memory in use. ENERGY: 531800 755.2646 2072.7269 1922.6384 97.6222 -206295.8716 17841.5258 0.0000 0.0000 34033.0910 -149573.0027 297.2194 -183606.0937 -149474.6715 297.6274 -95.3759 -62.9082 558556.2053 -9.6280 -9.6728 PRESSURE: 532000 -54.7036 244.238 -222.544 244.237 -201.922 -59.9386 -222.543 -59.9385 -57.815 GPRESSURE: 532000 -2.30103 204.534 -168.544 253.821 -184.87 -112.205 -268.108 -56.1649 -23.4311 PRESSAVG: 532000 14.5105 47.5093 -2.22383 47.5093 -4.37926 -12.5371 -2.22384 -12.537 -4.49716 GPRESSAVG: 532000 14.3821 45.4343 -4.19578 48.8144 -4.06351 -10.7151 0.253779 -13.2356 -4.58021 TIMING: 532000 CPU: 1584.77, 0.00296296/step Wall: 1584.77, 0.00296296/step, 3.67736 hours remaining, 205.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 532000 716.3143 2135.5947 1923.5714 118.5690 -206391.1026 17725.7951 0.0000 0.0000 34341.3732 -149429.8849 299.9118 -183771.2581 -149332.8842 297.7781 -104.8136 -70.2008 559096.9978 1.8780 1.9128 PRESSURE: 532200 -171.356 80.6844 -66.6692 80.6833 -1.64761 -86.9298 -66.6685 -86.9297 -40.6784 GPRESSURE: 532200 -80.8684 32.1696 -16.602 72.3296 25.4284 -141.178 -115.862 -60.2569 -61.5916 PRESSAVG: 532200 -74.8389 9.59701 4.64911 9.59705 63.7474 -2.00058 4.6491 -2.00066 -5.65503 GPRESSAVG: 532200 -73.7535 10.3878 5.6752 8.23446 63.1715 -3.79088 3.36851 0.29494 -6.39897 TIMING: 532200 CPU: 1585.36, 0.00294963/step Wall: 1585.36, 0.00294963/step, 3.66066 hours remaining, 205.968750 MB of memory in use. ENERGY: 532200 732.1007 2100.3515 1968.4653 111.6061 -206201.3658 17703.3325 0.0000 0.0000 34083.4674 -149502.0425 297.6594 -183585.5098 -149404.1307 298.2640 -71.2273 -39.0106 559138.6948 -5.5822 -5.6603 LDB: ============= START OF LOAD BALANCING ============== 1588.91 LDB: ============== END OF LOAD BALANCING =============== 1588.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1588.91 LDB: ============= START OF LOAD BALANCING ============== 1589.21 LDB: Largest compute 4796 load 0.030128 is 25.5% of average load 0.118048 LDB: Average compute 0.001750 is 1.5% of average load 0.118048 LDB: TIME 1589.21 LOAD: AVG 0.118048 MAX 0.203293 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.25 MB LDB: TIME 1589.21 LOAD: AVG 0.118048 MAX 0.203293 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.258 MB LDB: TIME 1589.21 LOAD: AVG 0.118048 MAX 0.203293 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.258 MB LDB: ============== END OF LOAD BALANCING =============== 1589.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1589.21 PRESSURE: 532400 -159.006 10.8783 -128.722 10.8803 -56.2446 -125.643 -128.721 -125.644 -122.893 GPRESSURE: 532400 -152.105 108.818 -171.793 -35.6589 -15.1825 -183.453 -82.7455 -128.09 -70.1847 PRESSAVG: 532400 -19.4866 -26.156 -40.0164 -26.1559 9.89335 -31.7095 -40.0164 -31.7095 -14.1824 GPRESSAVG: 532400 -19.7456 -24.9444 -40.3048 -26.3976 9.72434 -29.7195 -40.5333 -33.2241 -13.9573 TIMING: 532400 CPU: 1585.96, 0.00302172/step Wall: 1585.96, 0.00302171/step, 3.74995 hours remaining, 208.023438 MB of memory in use. ENERGY: 532400 752.5948 2069.1129 1951.3591 122.3313 -206324.7066 17778.6598 0.0000 0.0000 34157.5726 -149493.0762 298.3066 -183650.6487 -149397.8297 298.7329 -112.7145 -79.1574 557794.0294 -7.9252 -7.9929 PRESSURE: 532600 -160.907 -95.0796 -71.2941 -95.0794 -40.9193 27.8733 -71.2957 27.873 -141.168 GPRESSURE: 532600 -136.817 -95.6443 -39.1618 -55.0144 -13.6027 37.0778 -105.57 -11.9414 -88.4829 PRESSAVG: 532600 -53.3256 14.8313 22.6975 14.8312 45.3645 30.2689 22.6976 30.2688 -0.60462 GPRESSAVG: 532600 -54.1023 14.3267 21.941 15.477 45.1958 29.7235 22.5414 30.0441 0.648735 TIMING: 532600 CPU: 1586.56, 0.00296296/step Wall: 1586.56, 0.00296296/step, 3.67687 hours remaining, 208.023438 MB of memory in use. ENERGY: 532600 729.5058 2068.4631 1919.8923 117.9086 -206315.2785 17711.8734 0.0000 0.0000 34161.7778 -149605.8577 298.3433 -183767.6354 -149512.5781 298.3488 -114.3314 -79.6342 557727.1107 -2.8553 -2.7526 PRESSURE: 532800 2.9818 -31.5537 -134.773 -31.5536 115.762 80.3333 -134.774 80.3338 68.0657 GPRESSURE: 532800 46.3026 -63.9726 -185.808 2.7144 132.496 157.898 -72.7532 134.664 98.2636 PRESSAVG: 532800 -0.993388 -3.44993 -9.10932 -3.44992 -17.0577 -10.7572 -9.1094 -10.7572 11.6076 GPRESSAVG: 532800 -0.316734 -4.63029 -8.25352 -1.53643 -16.5067 -11.4502 -10.5593 -9.08564 10.2399 TIMING: 532800 CPU: 1587.15, 0.0029602/step Wall: 1587.15, 0.0029602/step, 3.67328 hours remaining, 208.023438 MB of memory in use. ENERGY: 532800 758.2752 2059.1110 1954.3909 105.4446 -206628.2824 18099.5403 0.0000 0.0000 34139.0125 -149512.5079 298.1445 -183651.5203 -149420.6529 298.5139 62.2699 92.3542 557550.8476 -2.1478 -2.1945 PRESSURE: 533000 -120.644 17.7117 157.697 17.7121 18.3906 -2.79088 157.697 -2.79193 -134.194 GPRESSURE: 533000 -101.651 -22.3278 163.596 103.871 32.3777 6.62903 136.986 20.3584 -80.8679 PRESSAVG: 533000 -15.4776 21.294 -25.2184 21.2939 23.9092 14.3779 -25.2185 14.3781 -41.6515 GPRESSAVG: 533000 -16.9172 22.3013 -24.3023 20.639 23.6245 14.2327 -25.6225 13.9712 -40.7053 TIMING: 533000 CPU: 1587.74, 0.00296822/step Wall: 1587.74, 0.00296822/step, 3.68306 hours remaining, 208.023438 MB of memory in use. ENERGY: 533000 713.3354 2101.1330 1931.3225 121.0527 -206025.7595 17591.9540 0.0000 0.0000 34254.6942 -149312.2677 299.1548 -183566.9618 -149220.1246 298.1163 -78.8158 -50.0471 557941.8783 -11.0733 -11.3327 PRESSURE: 533200 -194.009 150.338 -26.239 150.339 -297.931 -21.9324 -26.2375 -21.9312 -228.315 GPRESSURE: 533200 -148.533 124.823 -31.4224 128.367 -260.366 20.0217 -47.1721 16.7101 -205.388 PRESSAVG: 533200 -35.7919 14.1076 -14.6012 14.1075 27.6184 -9.48097 -14.6012 -9.48098 5.80859 GPRESSAVG: 533200 -34.2414 12.8459 -15.1488 13.5408 27.0779 -8.89308 -14.5612 -10.1201 4.3567 TIMING: 533200 CPU: 1588.33, 0.00294829/step Wall: 1588.33, 0.00294829/step, 3.65817 hours remaining, 208.023438 MB of memory in use. ENERGY: 533200 721.5135 2047.1043 1917.9757 110.1649 -205939.0957 17625.1525 0.0000 0.0000 34158.0846 -149359.1000 298.3110 -183517.1847 -149262.9454 299.0262 -240.0850 -204.7624 559310.8174 -0.7883 -0.9356 PRESSURE: 533400 -127.272 -57.7711 -46.262 -57.7715 -90.9009 -25.574 -46.2613 -25.5744 91.0873 GPRESSURE: 533400 -86.0001 -125.042 -11.815 33.7289 -76.7028 116.205 11.1256 -85.5943 127.003 PRESSAVG: 533400 -59.1133 -8.30658 15.6118 -8.30659 25.6586 -1.0692 15.6119 -1.06919 71.9953 GPRESSAVG: 533400 -59.3398 -7.4153 13.937 -9.7197 25.5703 -1.87469 16.8446 0.356177 72.6871 TIMING: 533400 CPU: 1588.92, 0.00295616/step Wall: 1588.92, 0.00295616/step, 3.66777 hours remaining, 208.023438 MB of memory in use. ENERGY: 533400 723.0294 2100.6755 1969.7950 115.8313 -206348.3381 17961.1515 0.0000 0.0000 34099.9784 -149377.8770 297.8036 -183477.8555 -149279.9693 298.8733 -42.3618 -11.8999 558006.4338 12.8469 12.9725 PRESSURE: 533600 -6.98557 65.5804 63.9906 65.5804 110.41 95.8547 63.9912 95.8546 199.427 GPRESSURE: 533600 25.3688 13.7498 24.2297 20.6696 125.018 56.9653 76.4599 146.942 234.637 PRESSAVG: 533600 -35.2955 26.9547 -13.8117 26.9548 63.7537 -21.8054 -13.8117 -21.8053 13.198 GPRESSAVG: 533600 -34.7039 27.0056 -11.4102 29.1692 64.3172 -20.9907 -15.2309 -23.6989 12.4632 TIMING: 533600 CPU: 1589.51, 0.00294625/step Wall: 1589.51, 0.00294625/step, 3.65531 hours remaining, 208.023438 MB of memory in use. ENERGY: 533600 690.8464 2023.5042 1924.4511 110.8758 -206624.3862 18055.2433 0.0000 0.0000 34454.9242 -149364.5412 300.9034 -183819.4653 -149262.6361 298.7372 100.9504 128.3412 557419.5058 13.8854 14.0255 PRESSURE: 533800 5.92819 49.0489 -57.2476 49.0482 -175.828 80.5446 -57.2489 80.5444 -173.128 GPRESSURE: 533800 -0.278513 73.01 -58.0285 32.1748 -149.286 67.8981 -57.7077 63.7037 -99.6325 PRESSAVG: 533800 44.4945 73.4086 12.5301 73.4086 -69.4147 37.5465 12.5302 37.5466 30.7912 GPRESSAVG: 533800 44.7181 73.8998 11.2956 71.953 -69.5185 35.6699 12.7443 37.5269 30.2026 TIMING: 533800 CPU: 1590.1, 0.00294474/step Wall: 1590.1, 0.00294474/step, 3.65328 hours remaining, 208.023438 MB of memory in use. ENERGY: 533800 736.1791 2054.2979 1928.8026 119.5243 -206038.8996 17574.3959 0.0000 0.0000 34262.3326 -149363.3672 299.2215 -183625.6998 -149266.6346 299.3261 -114.3425 -83.0657 558776.8680 1.9570 1.8007 PRESSURE: 534000 -349.006 105.173 -23.027 105.174 -11.3034 -10.1884 -23.026 -10.1874 -201.509 GPRESSURE: 534000 -310.276 50.8017 48.6494 204.069 53.7381 -60.8668 -24.2094 -28.1966 -215.477 PRESSAVG: 534000 -10.1302 63.8101 8.57461 63.8102 57.5361 31.1068 8.57466 31.1067 -66.8348 GPRESSAVG: 534000 -10.6025 65.3098 8.20385 64.2012 58.0467 33.4667 10.5557 30.8193 -66.2482 TIMING: 534000 CPU: 1590.7, 0.00297531/step Wall: 1590.7, 0.00297531/step, 3.69104 hours remaining, 208.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 534000 719.0499 2057.1986 1935.6244 113.1128 -205919.3112 17570.7120 0.0000 0.0000 34158.1134 -149365.5001 298.3113 -183523.6135 -149271.3342 298.6580 -187.2730 -157.3381 559419.2508 -6.4763 -6.2680 PRESSURE: 534200 168.303 -191.696 7.79038 -191.697 -176.2 -18.2545 7.79011 -18.2539 -168.558 GPRESSURE: 534200 199.836 -271.746 9.71467 -181.639 -146.215 15.7578 -10.3402 59.8534 -138.496 PRESSAVG: 534200 7.36595 12.9277 6.20492 12.9278 32.2428 -57.8977 6.20487 -57.8976 -22.2494 GPRESSAVG: 534200 7.91741 12.8748 7.9101 13.0043 31.5377 -61.3498 5.07241 -54.9521 -21.6387 TIMING: 534200 CPU: 1591.29, 0.00297925/step Wall: 1591.29, 0.00297925/step, 3.69577 hours remaining, 208.226562 MB of memory in use. ENERGY: 534200 792.1716 2022.9556 1935.2300 108.2452 -206014.6227 17718.4596 0.0000 0.0000 34102.4236 -149335.1371 297.8249 -183437.5607 -149238.4926 298.9417 -58.8183 -28.2918 558330.9564 5.7865 5.9388 PRESSURE: 534400 -205.752 57.97 -27.0701 57.971 -241.381 -110.394 -27.0708 -110.395 -128.838 GPRESSURE: 534400 -133.27 -6.12656 -96.8537 63.4347 -219.194 -114.915 43.8978 -32.576 -122.685 PRESSAVG: 534400 -18.8049 27.1933 2.52666 27.1933 14.1909 -38.9299 2.52663 -38.9298 22.1621 GPRESSAVG: 534400 -19.3851 26.5532 0.478387 25.8774 14.5406 -37.1747 2.83837 -41.4572 22.6498 TIMING: 534400 CPU: 1591.89, 0.00298839/step Wall: 1591.89, 0.00298839/step, 3.70693 hours remaining, 208.226562 MB of memory in use. ENERGY: 534400 751.5850 2084.3541 1972.0684 106.2051 -206194.9614 17693.0846 0.0000 0.0000 34369.6956 -149217.9685 300.1591 -183587.6641 -149123.1768 298.9414 -191.9905 -158.3829 558235.4070 5.8494 5.9351 PRESSURE: 534600 225.278 -59.7607 -18.8418 -59.7602 -214.131 196.57 -18.8409 196.569 -62.5743 GPRESSURE: 534600 281.588 -40.8375 14.0745 -129.514 -198.038 113.778 -91.5224 293.522 -40.0305 PRESSAVG: 534600 -12.2626 -40.5942 -29.9422 -40.5943 -27.7989 13.3005 -29.9422 13.3005 18.6858 GPRESSAVG: 534600 -11.1091 -40.5807 -27.6828 -40.7024 -28.0727 11.7498 -31.1782 14.3534 18.0181 TIMING: 534600 CPU: 1592.48, 0.00295218/step Wall: 1592.48, 0.00295218/step, 3.66186 hours remaining, 208.226562 MB of memory in use. ENERGY: 534600 762.4432 2049.5870 1939.4880 115.9076 -206184.6869 17915.4180 0.0000 0.0000 34028.2631 -149373.5801 297.1773 -183401.8431 -149275.9042 299.3128 -17.1423 14.5065 558212.9797 -7.1252 -7.0546 PRESSURE: 534800 -93.9974 23.104 57.5381 23.1058 -154.92 -58.9504 57.5375 -58.9517 -113.872 GPRESSURE: 534800 -31.7019 9.29738 7.73995 4.29468 -156.1 -75.9705 125.99 19.607 -76.3728 PRESSAVG: 534800 37.5301 -19.3258 -10.9606 -19.3258 -23.947 7.09092 -10.9606 7.09086 -15.3826 GPRESSAVG: 534800 36.8737 -18.265 -12.7997 -19.843 -23.1613 6.6685 -9.48935 8.66022 -15.6759 TIMING: 534800 CPU: 1593.08, 0.00297469/step Wall: 1593.08, 0.00297469/step, 3.6896 hours remaining, 208.226562 MB of memory in use. ENERGY: 534800 715.6030 2120.6518 1923.4256 100.6108 -205890.5425 17654.3061 0.0000 0.0000 34052.8147 -149323.1305 297.3917 -183375.9452 -149224.6824 299.0287 -120.9297 -88.0583 559364.9695 -0.5998 -0.6545 PRESSURE: 535000 41.3403 310.88 -36.3159 310.881 -104.847 12.3806 -36.3152 12.3808 -174.421 GPRESSURE: 535000 89.5158 383.356 -34.3833 232.21 -83.4871 69.0785 -76.6765 18.1396 -148.294 PRESSAVG: 535000 61.2551 17.6124 -12.451 17.6124 -19.064 14.1325 -12.451 14.1326 -7.28409 GPRESSAVG: 535000 61.6292 14.9267 -13.162 18.8481 -18.4073 15.2349 -13.4933 14.2471 -8.07584 TIMING: 535000 CPU: 1593.67, 0.00295624/step Wall: 1593.67, 0.00295624/step, 3.66656 hours remaining, 208.226562 MB of memory in use. ENERGY: 535000 726.4451 2050.2623 1932.8649 114.7691 -206177.5290 17820.5866 0.0000 0.0000 34417.4812 -149115.1198 300.5764 -183532.6010 -149026.1170 299.0202 -79.3091 -47.4219 559373.1785 11.6357 11.7153 PRESSURE: 535200 -172.528 33.3576 35.6668 33.3564 10.3727 -11.782 35.6679 -11.7831 80.0302 GPRESSURE: 535200 -148.356 34.771 -38.0514 -86.8789 67.0257 6.82585 64.3306 -111.321 89.3713 PRESSAVG: 535200 28.7992 28.9969 -1.83353 28.9969 64.8415 24.2084 -1.83342 24.2084 -60.2265 GPRESSAVG: 535200 29.4807 32.5683 -1.70241 27.1909 63.3626 22.6798 0.722871 23.7977 -60.4726 TIMING: 535200 CPU: 1594.26, 0.00295197/step Wall: 1594.26, 0.00295197/step, 3.6611 hours remaining, 208.226562 MB of memory in use. ENERGY: 535200 800.5093 2032.6480 1937.7400 104.8939 -206051.2306 17769.7713 0.0000 0.0000 34325.6816 -149079.9865 299.7747 -183405.6682 -148982.2896 299.0572 -27.3749 2.6805 558330.6688 11.1381 10.7902 PRESSURE: 535400 -26.7083 143.325 -40.0034 143.325 -52.1948 -4.01783 -40.0027 -4.01768 -131.943 GPRESSURE: 535400 30.3628 68.3231 16.8195 106.169 -61.8148 9.13512 -49.8526 59.3191 -83.2045 PRESSAVG: 535400 -24.29 -26.8258 16.5443 -26.8258 -17.1401 -24.4384 16.5442 -24.4384 20.0343 GPRESSAVG: 535400 -24.8776 -29.4017 17.5136 -24.7785 -16.8565 -23.6056 15.2769 -23.9698 20.3149 TIMING: 535400 CPU: 1594.85, 0.00296492/step Wall: 1594.85, 0.00296492/step, 3.67699 hours remaining, 208.226562 MB of memory in use. ENERGY: 535400 705.8276 2110.4024 1964.5485 108.1720 -205987.1790 17772.3675 0.0000 0.0000 34302.6119 -149023.2492 299.5732 -183325.8610 -148925.4909 299.4491 -70.2821 -38.2188 559158.5216 -7.1319 -7.1397 PRESSURE: 535600 -301.843 -111.144 52.1275 -111.145 115.046 48.4877 52.1281 48.4898 37.2805 GPRESSURE: 535600 -280.968 -98.0808 22.962 -109.993 101.547 -58.1751 88.8649 140.193 130.332 PRESSAVG: 535600 -35.3461 -8.2876 43.1736 -8.28763 -29.6793 -0.298871 43.1736 -0.298914 79.8532 GPRESSAVG: 535600 -36.0689 -9.2579 44.7292 -8.42788 -28.9382 -0.314579 42.7759 -0.116045 80.1369 TIMING: 535600 CPU: 1595.44, 0.00296943/step Wall: 1595.44, 0.00296943/step, 3.68243 hours remaining, 208.226562 MB of memory in use. ENERGY: 535600 743.6753 2144.2258 1958.0107 113.9391 -206043.3002 17794.4558 0.0000 0.0000 34373.5280 -148915.4654 300.1926 -183288.9934 -148827.0146 299.8604 -49.8387 -16.3632 560079.1825 4.9426 5.0433 PRESSURE: 535800 -47.064 -23.5438 150.521 -23.5422 122.173 -144.435 150.522 -144.434 -150.128 GPRESSURE: 535800 -48.1946 -7.87855 124.158 -115.495 121.523 -128.719 106.875 -197.014 -55.1693 PRESSAVG: 535800 -18.6497 -83.0922 66.8965 -83.0921 62.4651 -28.3052 66.8963 -28.3052 -20.8643 GPRESSAVG: 535800 -18.5788 -82.9675 67.5032 -83.0727 61.7101 -26.8233 64.8788 -28.889 -20.2865 TIMING: 535800 CPU: 1596.03, 0.00293894/step Wall: 1596.03, 0.00293894/step, 3.64445 hours remaining, 208.226562 MB of memory in use. ENERGY: 535800 742.7839 2125.2107 1970.5556 111.8775 -206102.4727 17648.3809 0.0000 0.0000 34371.8201 -149131.8440 300.1777 -183503.6641 -149041.0677 299.8818 -25.0064 6.0530 557191.0767 7.6504 7.6149 PRESSURE: 536000 -201.382 -174.312 -46.6698 -174.312 -98.4754 -9.6034 -46.6701 -9.60455 -74.6418 GPRESSURE: 536000 -190.164 -95.3496 10.5801 -186.183 -96.5331 -78.1124 -66.1561 63.2624 9.45198 PRESSAVG: 536000 -62.9663 -33.4158 23.6724 -33.4157 58.8991 -14.0914 23.6723 -14.0913 28.8189 GPRESSAVG: 536000 -62.3271 -32.4822 23.6344 -33.241 58.6559 -14.8343 22.9766 -15.2185 28.6466 TIMING: 536000 CPU: 1596.62, 0.00292286/step Wall: 1596.62, 0.00292286/step, 3.62435 hours remaining, 208.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 536000 748.4935 2099.3407 1975.6481 130.4821 -206227.6284 17746.3266 0.0000 0.0000 34238.4281 -149288.9093 299.0127 -183527.3374 -149193.5090 299.2668 -124.8330 -92.4151 557922.0375 8.2506 8.3252 PRESSURE: 536200 -272.354 73.1074 -86.9522 73.1066 -117.989 -67.3989 -86.9509 -67.3987 -315.258 GPRESSURE: 536200 -268.642 94.5058 -83.1524 76.4986 -82.9367 -30.2932 -44.7325 -54.6764 -261.198 PRESSAVG: 536200 6.63509 -53.7432 29.3721 -53.7433 11.3 0.790867 29.3722 0.790774 48.8336 GPRESSAVG: 536200 7.18049 -52.9089 28.9359 -55.0252 11.8663 1.73044 33.0871 3.25789 48.2911 TIMING: 536200 CPU: 1597.21, 0.00295197/step Wall: 1597.21, 0.00295197/step, 3.66027 hours remaining, 208.226562 MB of memory in use. ENERGY: 536200 750.6974 2147.5908 1949.6279 112.9056 -206095.9811 17618.3337 0.0000 0.0000 34359.2979 -149157.5276 300.0683 -183516.8255 -149064.7224 300.1100 -235.2004 -204.2590 558142.5991 22.2562 22.4460 LDB: ============= START OF LOAD BALANCING ============== 1600.75 LDB: ============== END OF LOAD BALANCING =============== 1600.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1600.75 LDB: ============= START OF LOAD BALANCING ============== 1601.05 LDB: Largest compute 4796 load 0.029193 is 24.7% of average load 0.117976 LDB: Average compute 0.001754 is 1.5% of average load 0.117976 LDB: TIME 1601.05 LOAD: AVG 0.117976 MAX 0.201011 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.973 MB LDB: TIME 1601.05 LOAD: AVG 0.117976 MAX 0.201011 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.977 MB LDB: TIME 1601.05 LOAD: AVG 0.117976 MAX 0.201011 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.977 MB LDB: ============== END OF LOAD BALANCING =============== 1601.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1601.06 PRESSURE: 536400 -38.5776 -106.487 100.174 -106.488 207.212 -18.3198 100.174 -18.3186 -12.2694 GPRESSURE: 536400 -21.1399 -180.135 176.774 -19.4072 250.381 -83.8836 97.9401 -5.7105 26.3189 PRESSAVG: 536400 -96.8957 -19.1463 -60.6755 -19.1463 23.495 -19.6248 -60.6754 -19.6249 48.8565 GPRESSAVG: 536400 -98.2524 -19.1593 -61.7637 -19.0352 24.8158 -21.0599 -61.7267 -19.6078 49.01 TIMING: 536400 CPU: 1597.81, 0.00299432/step Wall: 1597.81, 0.00299432/step, 3.71263 hours remaining, 207.195312 MB of memory in use. ENERGY: 536400 772.7505 2087.7835 1945.8027 109.5156 -206400.3650 17866.1992 0.0000 0.0000 34293.8438 -149324.4697 299.4967 -183618.3135 -149217.9307 299.2692 52.1216 85.1867 554541.0721 -8.1814 -8.1422 PRESSURE: 536600 28.4683 91.25 44.1877 91.2499 -113.334 -86.6772 44.1884 -86.6773 314.876 GPRESSURE: 536600 63.7341 72.8827 25.1387 59.3712 -54.5688 -60.7645 61.5864 -112.38 343.001 PRESSAVG: 536600 19.6026 44.7923 -13.3732 44.7924 -40.2631 10.2133 -13.3731 10.2133 7.65533 GPRESSAVG: 536600 18.7125 46.1374 -14.3969 44.6437 -39.9055 10.7662 -12.5438 7.93107 7.86906 TIMING: 536600 CPU: 1598.4, 0.00295019/step Wall: 1598.4, 0.00295019/step, 3.65775 hours remaining, 207.398438 MB of memory in use. ENERGY: 536600 767.7883 2123.3997 1939.9342 109.6147 -206313.1384 17878.1730 0.0000 0.0000 34199.6720 -149294.5565 298.6742 -183494.2285 -149200.3709 299.1709 76.6701 117.3886 555380.4115 -4.3351 -4.4413 PRESSURE: 536800 -94.3887 -26.9965 -100.134 -26.9968 -78.1232 203.677 -100.135 203.679 -329.724 GPRESSURE: 536800 -98.7858 5.83989 -58.6905 -26.8758 -8.40851 122.874 -141.154 205.877 -304.648 PRESSAVG: 536800 -59.3443 11.0683 -59.9946 11.0683 67.3261 -18.8848 -59.9946 -18.8847 -2.23909 GPRESSAVG: 536800 -57.9844 7.81206 -56.9136 11.6964 64.6145 -19.2809 -60.2555 -21.1398 -1.51148 TIMING: 536800 CPU: 1598.98, 0.00294011/step Wall: 1598.98, 0.00294011/step, 3.64508 hours remaining, 207.398438 MB of memory in use. ENERGY: 536800 769.5444 2123.6510 1952.8474 121.4480 -206318.4260 17735.0298 0.0000 0.0000 34263.8254 -149352.0799 299.2345 -183615.9053 -149249.4395 298.7600 -167.4119 -137.2807 556449.7769 1.9143 1.7062 PRESSURE: 537000 -150.285 -23.069 69.9707 -23.0692 -205.955 53.4979 69.9697 53.4976 147.908 GPRESSURE: 537000 -156.971 -32.7319 111.98 32.6304 -132.174 7.76901 59.6355 97.3238 186.37 PRESSAVG: 537000 28.3779 54.678 -53.7774 54.678 -0.728842 35.2236 -53.7775 35.2236 2.54755 GPRESSAVG: 537000 28.4456 58.1205 -55.1895 53.5743 -0.161942 37.9348 -55.1348 35.689 1.91946 TIMING: 537000 CPU: 1599.57, 0.00294388/step Wall: 1599.57, 0.00294388/step, 3.64959 hours remaining, 207.398438 MB of memory in use. ENERGY: 537000 733.3229 2161.9033 1927.4247 128.7370 -206017.1492 17666.8170 0.0000 0.0000 34086.7862 -149312.1580 297.6884 -183398.9443 -149218.2891 298.8790 -69.4442 -34.2581 556124.7380 10.0655 10.0677 PRESSURE: 537200 -96.9601 -45.0819 -36.3106 -45.0811 -69.0527 -43.5735 -36.3102 -43.5731 -262.754 GPRESSURE: 537200 -77.1525 -55.544 -57.3427 10.4332 -17.3378 -81.5181 42.3646 19.2633 -245.396 PRESSAVG: 537200 -81.4042 -8.25293 -22.9994 -8.25284 126.089 39.713 -22.9994 39.713 -52.3802 GPRESSAVG: 537200 -81.7855 -10.307 -22.8892 -5.7665 126.304 37.0254 -24.3506 43.2899 -51.9869 TIMING: 537200 CPU: 1600.16, 0.00294818/step Wall: 1600.16, 0.00294818/step, 3.65476 hours remaining, 207.398438 MB of memory in use. ENERGY: 537200 772.8876 2053.6500 1938.8199 116.5708 -205928.1162 17592.2935 0.0000 0.0000 34191.4601 -149262.4343 298.6025 -183453.8944 -149165.1599 299.0558 -142.9223 -113.2954 556450.6676 -2.5651 -2.4894 PRESSURE: 537400 121.323 -16.474 -93.6323 -16.4752 -1.28434 108.056 -93.6336 108.057 126.431 GPRESSURE: 537400 165.98 -87.0155 -106.688 33.6849 -56.3257 79.7784 -29.8442 128.63 234.255 PRESSAVG: 537400 6.60899 -0.320346 -8.0124 -0.32036 -26.7276 21.7539 -8.01226 21.7538 2.60904 GPRESSAVG: 537400 6.88363 0.735889 -8.277 -1.33276 -26.9845 23.1714 -5.37505 21.0914 2.52656 TIMING: 537400 CPU: 1600.76, 0.00297055/step Wall: 1600.76, 0.00297055/step, 3.68233 hours remaining, 207.398438 MB of memory in use. ENERGY: 537400 774.3102 2123.7683 1926.1226 104.4106 -206589.3493 18117.2173 0.0000 0.0000 34393.3729 -149150.1474 300.3659 -183543.5202 -149053.1833 299.4374 82.1564 114.6363 557670.0265 -5.8365 -5.8581 PRESSURE: 537600 -74.8581 127.358 88.546 127.357 25.381 20.7325 88.544 20.7327 -135.241 GPRESSURE: 537600 -39.8177 62.8836 103.74 167.619 28.8619 -51.4548 32.6098 6.13022 -81.2358 PRESSAVG: 537600 -0.182374 13.192 2.44809 13.192 -44.7902 15.893 2.44811 15.8932 55.0195 GPRESSAVG: 537600 -0.0138025 12.8322 5.73273 12.282 -44.8197 15.5314 0.179407 17.164 54.8455 TIMING: 537600 CPU: 1601.35, 0.00295648/step Wall: 1601.35, 0.00295648/step, 3.66472 hours remaining, 207.398438 MB of memory in use. ENERGY: 537600 705.6789 2140.8027 1951.3029 115.2594 -206185.9105 17700.4739 0.0000 0.0000 34458.2558 -149114.1369 300.9325 -183572.3927 -149022.7898 300.2344 -61.5726 -30.7305 557333.4815 3.3490 3.3373 PRESSURE: 537800 41.9914 -42.3124 -150.272 -42.3127 73.1144 -78.7032 -150.272 -78.7034 135.341 GPRESSURE: 537800 80.9813 -45.3729 -136.097 -67.1259 112.932 -75.9382 -153.624 -36.656 151.378 PRESSAVG: 537800 -17.458 -11.8757 -66.734 -11.8757 19.5153 25.5482 -66.734 25.5482 4.82617 GPRESSAVG: 537800 -18.5948 -11.0972 -69.0021 -11.128 19.5229 24.3313 -63.4358 23.5621 5.72187 TIMING: 537800 CPU: 1601.94, 0.00294362/step Wall: 1601.94, 0.00294362/step, 3.64861 hours remaining, 207.398438 MB of memory in use. ENERGY: 537800 708.8231 2129.3430 1965.1305 118.2573 -206151.6257 17752.9437 0.0000 0.0000 34374.4998 -149102.6282 300.2011 -183477.1280 -149013.4254 300.8450 83.4821 115.0971 557486.4532 2.2945 2.2167 PRESSURE: 538000 -25.6266 58.3004 69.9492 58.3008 1.38087 147.939 69.9492 147.938 -24.7838 GPRESSURE: 538000 20.152 127.618 -20.4201 -73.498 34.702 163.867 44.5679 194.326 2.24949 PRESSAVG: 538000 -15.1877 -40.5411 -15.5832 -40.5412 -32.9052 -55.6965 -15.5831 -55.6964 57.6711 GPRESSAVG: 538000 -15.874 -39.7727 -15.6434 -41.6051 -33.0242 -54.5206 -16.8736 -55.3607 58.733 TIMING: 538000 CPU: 1602.53, 0.00297934/step Wall: 1602.53, 0.00297934/step, 3.69272 hours remaining, 207.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 538000 754.2634 2137.3270 1974.1682 102.8250 -205927.9364 17708.3961 0.0000 0.0000 34284.0112 -148966.9455 299.4108 -183250.9567 -148874.2043 300.0376 -16.3432 19.0345 558218.8318 3.1927 3.2783 PRESSURE: 538200 -137.692 -115.401 83.6047 -115.4 -339.156 26.8968 83.6042 26.8959 132.001 GPRESSURE: 538200 -38.4108 -64.9341 15.1956 -154.553 -321.66 61.193 122.487 -45.534 89.6364 PRESSAVG: 538200 32.8591 -8.68073 26.5 -8.68084 -17.4716 -34.9099 26.5 -34.9099 1.59441 GPRESSAVG: 538200 34.7849 -10.8382 26.0569 -9.51966 -17.5977 -34.7304 26.4834 -35.7063 -0.364153 TIMING: 538200 CPU: 1603.13, 0.00301124/step Wall: 1603.13, 0.00301124/step, 3.7321 hours remaining, 207.398438 MB of memory in use. ENERGY: 538200 753.3412 2083.3923 1962.5210 117.8560 -206062.0389 17571.3007 0.0000 0.0000 34209.5036 -149364.1241 298.7601 -183573.6277 -149260.4605 299.3178 -114.9493 -90.1448 557913.0536 5.6607 5.6077 PRESSURE: 538400 -183.967 -33.0342 -59.6181 -33.0349 51.2108 72.1943 -59.6176 72.1948 87.2556 GPRESSURE: 538400 -153.786 -100.026 -70.0223 -122.923 50.7517 31.4674 73.9482 105.263 165.348 PRESSAVG: 538400 7.74853 -45.8754 23.8645 -45.8753 -16.7757 -20.2026 23.8647 -20.2026 47.2063 GPRESSAVG: 538400 6.54594 -46.1297 23.5698 -44.6531 -16.3449 -21.7018 22.3933 -17.7959 48.5374 TIMING: 538400 CPU: 1603.73, 0.00299218/step Wall: 1603.73, 0.00299218/step, 3.70831 hours remaining, 207.398438 MB of memory in use. ENERGY: 538400 756.9624 2118.0746 1901.4268 96.8803 -206329.2191 17863.1050 0.0000 0.0000 34305.5256 -149287.2444 299.5987 -183592.7700 -149188.9706 299.5101 -15.1670 20.7711 556997.5312 12.7264 12.9128 PRESSURE: 538600 -163.624 155.133 -94.3553 155.133 -35.8965 1.49046 -94.356 1.49119 28.3725 GPRESSURE: 538600 -89.9048 211.546 -83.7987 143.62 9.93089 -70.8313 -117.107 15.5496 6.86343 PRESSAVG: 538600 26.3815 34.3235 8.27043 34.3235 3.76638 -12.936 8.27052 -12.936 -22.3172 GPRESSAVG: 538600 27.04 35.0505 8.43885 33.451 3.69132 -13.4751 10.4202 -13.6962 -23.1551 TIMING: 538600 CPU: 1604.32, 0.00295065/step Wall: 1604.32, 0.00295065/step, 3.65668 hours remaining, 207.398438 MB of memory in use. ENERGY: 538600 705.5199 2117.6451 1948.9600 104.0476 -205815.7080 17736.0045 0.0000 0.0000 34101.4960 -149102.0348 297.8168 -183203.5308 -149002.2992 299.6371 -57.0495 -24.3702 558147.6842 2.6102 2.5254 PRESSURE: 538800 -283.443 108.675 43.7373 108.675 40.6061 161.649 43.7362 161.652 -303.891 GPRESSURE: 538800 -259.349 89.5461 -75.4047 88.0137 88.9313 204.813 151.347 136.693 -281.437 PRESSAVG: 538800 48.251 -0.226671 6.73475 -0.226627 -12.2218 59.1053 6.73483 59.1054 -66.4751 GPRESSAVG: 538800 48.3959 -0.888486 8.17731 1.62247 -12.7816 60.7475 6.25227 59.0509 -66.14 TIMING: 538800 CPU: 1604.91, 0.00294166/step Wall: 1604.91, 0.00294166/step, 3.64537 hours remaining, 207.398438 MB of memory in use. ENERGY: 538800 743.5726 2108.8423 1958.7474 118.7219 -205796.8285 17542.0696 0.0000 0.0000 34338.6101 -148986.2646 299.8876 -183324.8746 -148887.1266 299.4729 -182.2426 -150.6181 558243.1538 -10.1486 -10.1752 PRESSURE: 539000 20.3981 -26.2691 75.7665 -26.2684 -73.4412 36.9383 75.7656 36.9367 -338.778 GPRESSURE: 539000 0.341307 -12.9513 151.977 38.3537 -10.9453 133.582 30.4591 -23.9328 -274.307 PRESSAVG: 539000 3.25883 -29.7385 73.9458 -29.7384 42.0902 -17.744 73.9458 -17.7441 -21.7722 GPRESSAVG: 539000 3.90226 -27.6154 74.3933 -32.8964 41.7686 -19.163 72.9664 -18.0542 -22.4735 TIMING: 539000 CPU: 1605.5, 0.00294361/step Wall: 1605.5, 0.00294361/step, 3.64762 hours remaining, 207.398438 MB of memory in use. ENERGY: 539000 763.9812 2102.1311 1947.5859 117.5418 -205655.1602 17640.4051 0.0000 0.0000 34241.5608 -148841.9541 299.0401 -183083.5150 -148735.4712 299.9587 -130.6070 -94.9702 558663.7216 7.8589 7.7325 PRESSURE: 539200 -248.369 -217.612 87.6884 -217.611 22.0581 -86.2044 87.6882 -86.2045 -28.6275 GPRESSURE: 539200 -200.401 -238.817 55.4504 -145.653 -6.95475 -102.778 110.133 -125.867 52.0392 PRESSAVG: 539200 -22.8783 -54.8842 37.4713 -54.8843 -35.837 6.22819 37.4714 6.22815 4.00198 GPRESSAVG: 539200 -23.376 -57.4769 35.9489 -52.1252 -35.2603 7.97185 38.8647 5.02423 4.289 TIMING: 539200 CPU: 1606.09, 0.00295651/step Wall: 1606.09, 0.00295651/step, 3.66344 hours remaining, 207.398438 MB of memory in use. ENERGY: 539200 739.5179 2149.3687 1940.1089 118.7841 -206179.0450 17772.1934 0.0000 0.0000 34323.8257 -149135.2463 299.7585 -183459.0720 -149044.5229 300.0419 -84.9794 -51.7723 558638.2082 -18.2378 -18.1158 PRESSURE: 539400 311.579 109.835 48.2879 109.835 -294.037 -54.1276 48.2894 -54.1268 309.914 GPRESSURE: 539400 363.414 122.984 127.173 3.68104 -251.929 -33.5051 11.5765 -82.9473 326.682 PRESSAVG: 539400 53.5618 -4.86031 -1.46146 -4.8603 -91.8576 2.52083 -1.46145 2.52083 58.5043 GPRESSAVG: 539400 53.4268 -3.79669 -2.28399 -6.43304 -92.2429 1.34739 -2.50064 3.35265 59.1949 TIMING: 539400 CPU: 1606.69, 0.00296945/step Wall: 1606.69, 0.00296945/step, 3.67931 hours remaining, 207.398438 MB of memory in use. ENERGY: 539400 794.1840 2081.7171 1922.9257 111.9287 -206359.3244 18125.1652 0.0000 0.0000 34072.1370 -149251.2667 297.5604 -183323.4037 -149147.9787 299.1749 109.1520 146.0557 559097.4799 6.7362 6.7929 PRESSURE: 539600 -36.3176 86.953 -3.18287 86.9539 -157.251 -43.239 -3.18191 -43.2385 -100.906 GPRESSURE: 539600 39.3832 22.0845 52.9929 132.029 -171.964 -108.779 -84.3786 -57.1421 -65.9143 PRESSAVG: 539600 22.1253 -43.6816 55.6061 -43.6816 -58.8457 -40.8646 55.6061 -40.8647 24.1127 GPRESSAVG: 539600 21.7195 -44.3963 57.7526 -42.9571 -57.7124 -41.3248 54.6536 -40.9527 23.5923 TIMING: 539600 CPU: 1607.28, 0.00295203/step Wall: 1607.28, 0.00295203/step, 3.65757 hours remaining, 207.398438 MB of memory in use. ENERGY: 539600 724.4752 2083.4433 1939.3738 109.6667 -205994.0243 17673.1749 0.0000 0.0000 34083.9244 -149379.9659 297.6634 -183463.8903 -149276.0342 298.9783 -98.1581 -66.1649 558645.4127 -4.2026 -4.1335 PRESSURE: 539800 -183.024 36.569 -48.3972 36.5683 -219.645 101.561 -48.3973 101.561 -431.243 GPRESSURE: 539800 -157.775 48.5422 -18.7873 -0.459961 -161.818 122.797 -85.2532 101.735 -418.415 PRESSAVG: 539800 57.7061 -56.5257 47.9028 -56.5258 -67.9857 40.6163 47.9027 40.6163 17.8956 GPRESSAVG: 539800 58.9114 -56.927 45.5765 -55.7512 -68.3311 42.4529 48.6483 40.2578 17.1129 TIMING: 539800 CPU: 1607.87, 0.0029695/step Wall: 1607.87, 0.0029695/step, 3.67904 hours remaining, 207.398438 MB of memory in use. ENERGY: 539800 740.2981 2022.3394 1977.1250 112.2067 -205855.9562 17563.9873 0.0000 0.0000 34176.4870 -149263.5127 298.4718 -183439.9997 -149158.7557 298.8697 -277.9707 -246.0025 559489.0688 2.5387 2.5644 PRESSURE: 540000 -25.5083 99.9637 33.7646 99.9632 -229.946 68.1388 33.7626 68.1389 -273.784 GPRESSURE: 540000 18.7352 136.142 30.9754 92.5232 -203.082 58.8232 28.4485 74.0376 -251.969 PRESSAVG: 540000 16.3246 -39.7031 5.98713 -39.703 -61.6928 24.1731 5.98712 24.1731 45.9982 GPRESSAVG: 540000 14.7945 -38.3837 6.43199 -40.9212 -60.1932 22.9742 7.32994 23.7535 46.3727 TIMING: 540000 CPU: 1608.47, 0.00297879/step Wall: 1608.47, 0.00297879/step, 3.69039 hours remaining, 207.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 540000 747.5051 2109.9034 1927.1015 109.8085 -206050.2308 17656.4996 0.0000 0.0000 34137.2469 -149362.1657 298.1291 -183499.4126 -149262.0913 298.8998 -176.4128 -145.4384 557902.6008 0.2100 0.3246 PRESSURE: 540200 -190.011 9.71904 -21.94 9.71828 -130.769 62.3883 -21.9401 62.3874 -61.9658 GPRESSURE: 540200 -132.359 131.429 -53.9377 -41.1645 -120.287 134.017 7.95858 24.18 -38.1061 PRESSAVG: 540200 5.40554 -6.14119 63.7452 -6.14115 -33.8953 57.2536 63.7452 57.2535 43.4285 GPRESSAVG: 540200 6.27231 -8.73697 64.3804 -5.75581 -35.4613 59.6776 62.675 56.1609 44.0835 TIMING: 540200 CPU: 1609.06, 0.00297717/step Wall: 1609.06, 0.00297717/step, 3.68822 hours remaining, 207.398438 MB of memory in use. ENERGY: 540200 761.1844 2129.1253 1904.7322 114.0318 -206630.6109 17984.3396 0.0000 0.0000 34322.7242 -149414.4733 299.7489 -183737.1975 -149320.5219 298.1829 -127.5819 -96.9174 557846.3626 4.9796 4.9648 LDB: ============= START OF LOAD BALANCING ============== 1612.61 LDB: ============== END OF LOAD BALANCING =============== 1612.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1612.61 LDB: ============= START OF LOAD BALANCING ============== 1612.91 LDB: Largest compute 4796 load 0.030328 is 25.7% of average load 0.118064 LDB: Average compute 0.001753 is 1.5% of average load 0.118064 LDB: TIME 1612.91 LOAD: AVG 0.118064 MAX 0.205274 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.684 MB LDB: TIME 1612.91 LOAD: AVG 0.118064 MAX 0.205274 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.688 MB LDB: TIME 1612.91 LOAD: AVG 0.118064 MAX 0.205274 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.688 MB LDB: ============== END OF LOAD BALANCING =============== 1612.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1612.92 PRESSURE: 540400 -37.4413 -65.6263 91.1081 -65.6264 -232.702 18.8061 91.1073 18.8066 58.4743 GPRESSURE: 540400 37.9951 -34.4543 24.5063 -53.1113 -254.189 -25.2636 138.763 21.9834 99.9375 PRESSAVG: 540400 25.4018 -19.2296 -11.5519 -19.2296 -27.7496 20.4214 -11.5519 20.4214 9.99117 GPRESSAVG: 540400 25.8422 -16.6297 -10.4503 -19.8452 -27.904 20.2012 -9.85222 23.7032 10.5453 TIMING: 540400 CPU: 1609.67, 0.00303711/step Wall: 1609.67, 0.00303711/step, 3.7623 hours remaining, 206.683594 MB of memory in use. ENERGY: 540400 780.6302 2131.7877 1930.4437 106.8802 -206353.7898 17672.1814 0.0000 0.0000 34096.6273 -149635.2394 297.7743 -183731.8667 -149542.3434 298.7244 -70.5562 -38.7520 556220.3477 2.5478 2.8278 PRESSURE: 540600 -4.18512 67.134 -15.8391 67.1338 -178.816 -100.922 -15.84 -100.921 -60.9223 GPRESSURE: 540600 -15.8534 189.746 -10.1499 -9.09069 -108.106 -147.847 -30.5982 -41.6823 -22.2263 PRESSAVG: 540600 -32.7813 7.42096 -22.2012 7.42097 2.99631 37.2317 -22.2013 37.2318 10.44 GPRESSAVG: 540600 -31.2302 7.78802 -24.592 7.47833 2.69345 36.7226 -25.4214 36.3055 8.65956 TIMING: 540600 CPU: 1610.27, 0.00298976/step Wall: 1610.27, 0.00298976/step, 3.70348 hours remaining, 206.683594 MB of memory in use. ENERGY: 540600 749.2883 2083.6196 1964.3235 103.7229 -206337.3264 17629.4294 0.0000 0.0000 34189.2373 -149617.7053 298.5831 -183806.9426 -149524.5212 298.5824 -81.3080 -48.7285 556423.9122 -6.4483 -6.6257 PRESSURE: 540800 80.4632 54.7805 -38.9598 54.78 27.6816 -30.7138 -38.96 -30.7133 100.006 GPRESSURE: 540800 118.307 77.8549 -24.1179 -43.9276 5.69414 -63.6887 -20.4795 24.2546 170.46 PRESSAVG: 540800 -69.2361 15.8323 8.39007 15.8322 41.0552 32.9383 8.39003 32.9382 81.663 GPRESSAVG: 540800 -69.7718 12.1733 8.28764 18.4824 40.7494 31.1246 11.995 34.156 82.0953 TIMING: 540800 CPU: 1610.86, 0.00295918/step Wall: 1610.86, 0.00295918/step, 3.66544 hours remaining, 206.683594 MB of memory in use. ENERGY: 540800 714.8993 2131.7234 1934.3788 109.1969 -206401.2343 17811.7471 0.0000 0.0000 34213.0486 -149486.2403 298.7911 -183699.2889 -149382.4282 298.5408 69.3835 98.1539 555482.2944 17.8274 17.6910 PRESSURE: 541000 194.115 65.4367 -33.5131 65.4372 -170.351 -78.5629 -33.5124 -78.5626 -235.491 GPRESSURE: 541000 256.396 76.8321 -17.5978 27.6333 -129.321 -52.419 -32.3932 -6.34093 -232.591 PRESSAVG: 541000 39.4257 1.79793 -2.19436 1.79791 15.22 -7.65391 -2.19428 -7.65393 -8.20916 GPRESSAVG: 541000 39.4539 4.53296 -0.978535 0.265295 16.0194 -5.16201 -3.56757 -8.62882 -9.26433 TIMING: 541000 CPU: 1611.45, 0.00296752/step Wall: 1611.45, 0.00296752/step, 3.6756 hours remaining, 206.683594 MB of memory in use. ENERGY: 541000 766.0258 2167.1338 1916.4149 128.3286 -206708.8322 17822.4439 0.0000 0.0000 34203.6818 -149704.8034 298.7093 -183908.4852 -149623.6665 298.6403 -70.5758 -35.1718 557933.6000 15.4789 15.4030 PRESSURE: 541200 -319.662 28.1026 34.3394 28.1033 -185.573 142.519 34.3397 142.519 -126.802 GPRESSURE: 541200 -315.126 17.7087 -11.7819 -23.1458 -93.6457 170.309 -93.3471 59.3286 -119.461 PRESSAVG: 541200 -39.9771 27.0856 -42.9802 27.0856 4.72403 10.3254 -42.9801 10.3252 7.97653 GPRESSAVG: 541200 -42.2234 27.5711 -44.7689 27.5832 5.64031 8.81251 -43.242 7.40416 8.92819 TIMING: 541200 CPU: 1612.04, 0.00295078/step Wall: 1612.04, 0.00295078/step, 3.6547 hours remaining, 206.683594 MB of memory in use. ENERGY: 541200 738.3042 2112.0793 1942.6454 121.4325 -206212.7001 17494.9872 0.0000 0.0000 34235.4262 -149567.8254 298.9865 -183803.2516 -149471.1789 298.3232 -210.6789 -176.0775 558549.7557 -9.0922 -9.2183 PRESSURE: 541400 -64.1175 -96.7132 114.167 -96.7131 -190.234 -82.0997 114.167 -82.1009 -224.083 GPRESSURE: 541400 -74.8664 -129.106 57.6964 -134.136 -146.936 -95.6733 184.334 -25.3307 -158.406 PRESSAVG: 541400 -97.9356 -22.6417 -32.4619 -22.6417 74.9558 14.2437 -32.4619 14.2437 57.0945 GPRESSAVG: 541400 -97.8105 -23.1702 -30.1509 -23.1863 74.5158 16.8447 -33.0374 15.0443 56.8448 TIMING: 541400 CPU: 1612.63, 0.00295324/step Wall: 1612.63, 0.00295324/step, 3.65759 hours remaining, 206.683594 MB of memory in use. ENERGY: 541400 778.9573 2119.4037 1942.5313 99.4598 -206620.8670 17699.5607 0.0000 0.0000 34385.2887 -149595.6654 300.2953 -183980.9541 -149494.0380 297.9358 -159.4781 -126.7361 556702.9483 11.3716 11.1834 PRESSURE: 541600 -10.8016 -133.031 22.0683 -133.03 -242.387 65.0094 22.0689 65.0085 0.641109 GPRESSURE: 541600 44.6553 -60.6846 -23.6447 -139.618 -223.775 70.6091 41.329 108.357 2.36097 PRESSAVG: 541600 20.8286 -3.65006 -11.4643 -3.65005 -61.2318 -39.2397 -11.4642 -39.2398 34.5517 GPRESSAVG: 541600 20.3679 -2.83598 -13.5252 -1.93988 -61.0338 -42.8288 -10.4627 -37.148 35.316 TIMING: 541600 CPU: 1613.23, 0.00298307/step Wall: 1613.23, 0.00298307/step, 3.69437 hours remaining, 206.683594 MB of memory in use. ENERGY: 541600 741.3826 2111.2897 1918.0235 118.4609 -206525.8069 17935.0892 0.0000 0.0000 34201.6092 -149499.9519 298.6912 -183701.5611 -149406.9156 298.5992 -84.1825 -58.9196 557961.1025 -1.9505 -1.7833 PRESSURE: 541800 -240.651 22.4221 57.0747 22.4203 -166.22 -90.5321 57.074 -90.5309 -145.81 GPRESSURE: 541800 -202.363 26.4786 56.8069 -34.1575 -187.071 -80.0012 -49.1275 -60.1794 -54.9978 PRESSAVG: 541800 10.1199 -65.3824 15.1318 -65.3824 22.8246 -23.5737 15.1318 -23.5738 8.05253 GPRESSAVG: 541800 11.4475 -67.8537 15.3594 -66.7508 22.5149 -24.033 14.2812 -26.3099 7.28702 TIMING: 541800 CPU: 1613.83, 0.00299017/step Wall: 1613.83, 0.00299017/step, 3.70299 hours remaining, 206.683594 MB of memory in use. ENERGY: 541800 716.7985 2096.5305 1959.2175 98.7800 -206505.4675 17838.3711 0.0000 0.0000 34377.4922 -149418.2777 300.2272 -183795.7699 -149314.1107 299.1880 -184.2266 -148.1438 558343.5814 13.6657 13.7498 PRESSURE: 542000 -1.14691 -113.978 65.6896 -113.979 33.5606 -9.38511 65.6892 -9.38483 -12.7754 GPRESSURE: 542000 61.3357 -66.3097 2.44691 -98.6736 65.1921 -23.4916 84.964 -42.284 -2.97033 PRESSAVG: 542000 -3.21552 -17.995 25.2888 -17.995 -15.0177 -11.0504 25.2889 -11.0504 35.0212 GPRESSAVG: 542000 -3.3842 -15.7417 24.7568 -17.9849 -15.704 -9.60833 26.1601 -10.8162 35.7565 TIMING: 542000 CPU: 1614.42, 0.00297404/step Wall: 1614.42, 0.00297404/step, 3.68286 hours remaining, 206.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 542000 721.0222 2104.2196 1951.4024 120.8588 -206362.2901 17930.6849 0.0000 0.0000 34259.9792 -149274.1230 299.2009 -183534.1023 -149178.7844 299.3483 6.5461 41.1858 557918.4515 5.5960 5.5561 PRESSURE: 542200 -281.784 120.564 256.263 120.566 -94.5583 163.266 256.263 163.268 122.796 GPRESSURE: 542200 -209.816 85.2833 267.432 130.345 -114.758 116.211 252.733 124.918 162.398 PRESSAVG: 542200 -57.078 10.7183 24.6549 10.7183 -16.7918 12.9469 24.655 12.947 72.8376 GPRESSAVG: 542200 -56.802 11.1964 26.1496 9.94326 -15.8166 12.3075 23.2086 15.1189 71.2923 TIMING: 542200 CPU: 1615.01, 0.00296188/step Wall: 1615.01, 0.00296188/step, 3.66762 hours remaining, 206.683594 MB of memory in use. ENERGY: 542200 756.6656 2110.1803 1913.6663 101.0202 -205963.8671 17864.4165 0.0000 0.0000 34181.8448 -149036.0733 298.5186 -183217.9181 -148951.2307 298.5583 -84.5155 -54.0588 560344.2709 -0.3440 -0.4421 PRESSURE: 542400 -17.5002 -88.5028 -149.107 -88.5033 -60.3694 -81.1629 -149.108 -81.1625 -175.76 GPRESSURE: 542400 57.1407 -92.9431 -106.805 -145.416 4.25756 -92.618 -204.246 -15.302 -217.826 PRESSAVG: 542400 1.02048 -18.17 -10.3155 -18.1699 -24.4582 3.60488 -10.3156 3.60492 23.777 GPRESSAVG: 542400 -0.19703 -18.74 -9.88329 -18.0198 -23.6737 3.65507 -9.96829 2.54342 24.6289 TIMING: 542400 CPU: 1615.6, 0.00294269/step Wall: 1615.6, 0.00294269/step, 3.64371 hours remaining, 206.683594 MB of memory in use. ENERGY: 542400 763.6990 2121.0650 1936.4342 101.9763 -205671.4004 17526.7715 0.0000 0.0000 34180.6979 -149040.7566 298.5085 -183221.4545 -148951.8573 299.1676 -84.5433 -52.1426 558466.2925 0.1131 0.2527 PRESSURE: 542600 -39.3913 -66.1937 -35.477 -66.1929 48.9216 -113.825 -35.4788 -113.823 154.585 GPRESSURE: 542600 -57.4891 -40.8625 10.6447 -116.335 157.649 -150.951 -98.0805 -55.0997 168.844 PRESSAVG: 542600 -10.6436 -38.356 32.7812 -38.356 36.7247 28.8854 32.7811 28.8854 -20.0086 GPRESSAVG: 542600 -9.6974 -38.7037 31.7318 -37.2808 36.3483 29.0388 34.5334 28.7517 -20.6963 TIMING: 542600 CPU: 1616.19, 0.00295649/step Wall: 1616.19, 0.00295649/step, 3.66063 hours remaining, 206.683594 MB of memory in use. ENERGY: 542600 782.3142 2103.1935 1893.7417 110.5267 -206219.4402 17899.9975 0.0000 0.0000 34379.7034 -149049.9632 300.2465 -183429.6666 -148949.7850 299.8363 54.7050 89.6679 557838.9488 2.0241 1.9849 PRESSURE: 542800 -313.485 90.4718 -53.9715 90.4725 -100.716 53.1189 -53.9724 53.1176 -108.42 GPRESSURE: 542800 -242.699 149.272 -8.6141 23.0661 -93.1154 65.617 -56.3911 102.599 -84.6728 PRESSAVG: 542800 -42.3288 -32.4082 21.4822 -32.4082 -27.6283 51.0748 21.4822 51.0748 55.1724 GPRESSAVG: 542800 -42.7685 -33.6757 22.4716 -33.3271 -28.0588 52.1775 19.4464 49.4262 55.7404 TIMING: 542800 CPU: 1616.79, 0.0029775/step Wall: 1616.79, 0.0029775/step, 3.68647 hours remaining, 206.683594 MB of memory in use. ENERGY: 542800 737.7924 2086.1504 1943.7251 107.6849 -205937.6791 17683.7714 0.0000 0.0000 34504.1854 -148874.3694 301.3336 -183378.5548 -148768.0603 299.7963 -174.2072 -140.1624 559029.7602 -4.9282 -5.0290 PRESSURE: 543000 -78.979 45.5918 41.7367 45.5912 121.437 0.540395 41.7364 0.541258 -154.553 GPRESSURE: 543000 -18.1906 144.334 -47.4382 15.4708 119.777 -79.5283 93.6904 52.7383 -98.8177 PRESSAVG: 543000 -67.7801 31.0018 7.05464 31.0018 1.78402 -3.70909 7.05464 -3.7091 62.1568 GPRESSAVG: 543000 -68.2344 31.3273 6.48209 32.1327 1.91067 -3.82651 8.26168 -2.28111 62.0776 TIMING: 543000 CPU: 1617.38, 0.00297261/step Wall: 1617.38, 0.00297261/step, 3.68025 hours remaining, 206.683594 MB of memory in use. ENERGY: 543000 737.1772 2133.8277 1930.0513 116.3772 -205848.7041 17751.5790 0.0000 0.0000 34289.3168 -148890.3749 299.4571 -183179.6917 -148793.2683 300.2392 -37.3651 0.9228 556551.1408 -1.2798 -1.4154 PRESSURE: 543200 -153.742 29.3752 -81.1231 29.3746 209.86 -224.817 -81.1223 -224.817 93.9665 GPRESSURE: 543200 -179.685 82.3828 -111.248 -37.0634 256.106 -130.574 -163.097 -210.024 179.429 PRESSAVG: 543200 -58.982 5.48783 15.4384 5.4878 40.1075 12.997 15.4385 12.9969 8.77672 GPRESSAVG: 543200 -59.3557 8.67981 14.5959 2.96743 40.0169 12.262 13.6646 11.9827 9.35528 TIMING: 543200 CPU: 1617.98, 0.00298464/step Wall: 1617.98, 0.00298464/step, 3.69498 hours remaining, 206.683594 MB of memory in use. ENERGY: 543200 712.8778 2095.7413 1942.0200 126.6628 -206077.1851 17807.6191 0.0000 0.0000 34403.0926 -148989.1715 300.4508 -183392.2640 -148889.9675 300.5532 50.0281 85.2834 556526.3038 -3.3659 -3.3279 PRESSURE: 543400 -41.3982 -82.2116 -28.7765 -82.213 78.4761 8.89953 -28.7749 8.89975 -398.39 GPRESSURE: 543400 -58.2052 -251.047 -83.5663 69.4238 167.575 10.9727 11.7196 71.8515 -364.134 PRESSAVG: 543400 -15.6273 42.256 -23.7503 42.256 12.6774 32.46 -23.7502 32.4601 -23.2302 GPRESSAVG: 543400 -14.674 41.0527 -23.7222 42.7204 12.6106 33.5924 -22.5909 33.1403 -24.015 TIMING: 543400 CPU: 1618.57, 0.00295765/step Wall: 1618.57, 0.00295765/step, 3.66141 hours remaining, 206.683594 MB of memory in use. ENERGY: 543400 767.0238 2076.0505 1928.4379 116.6784 -206014.8385 17640.1751 0.0000 0.0000 34400.4488 -149086.0240 300.4277 -183486.4728 -148983.6129 300.2934 -120.4374 -84.9214 556676.7667 -8.7267 -8.6928 PRESSURE: 543600 44.0136 -128.674 41.0284 -128.672 51.4094 54.347 41.0291 54.3473 -11.6668 GPRESSURE: 543600 113.329 -83.1683 36.8468 -177.653 61.3404 133.128 26.3207 60.7038 4.65851 PRESSAVG: 543600 -21.4453 -23.4258 -4.47218 -23.4258 26.9062 23.315 -4.47216 23.315 -4.66161 GPRESSAVG: 543600 -21.5553 -23.6329 -5.37845 -21.4933 26.8061 20.3091 -3.60493 23.8422 -4.73683 TIMING: 543600 CPU: 1619.16, 0.0029576/step Wall: 1619.16, 0.0029576/step, 3.66117 hours remaining, 206.683594 MB of memory in use. ENERGY: 543600 707.1798 2125.2361 1934.6134 108.8062 -206238.7184 17851.0463 0.0000 0.0000 34425.7958 -149086.0408 300.6490 -183511.8367 -148983.5554 299.9780 27.9187 59.7758 555707.4990 0.2664 0.1713 PRESSURE: 543800 -160.211 48.0121 -86.805 48.0124 -125.265 1.28641 -86.8064 1.28633 -83.9343 GPRESSURE: 543800 -117.048 -50.8123 -91.5356 143.177 -134.511 -35.5116 5.86251 -18.3574 -21.153 PRESSAVG: 543800 50.4196 -8.379 21.1884 -8.3791 -7.08204 -5.15588 21.1884 -5.15584 -22.4045 GPRESSAVG: 543800 51.0791 -9.35789 21.6825 -8.76446 -7.53556 -4.37264 22.0515 -5.9696 -23.3128 TIMING: 543800 CPU: 1619.76, 0.0029855/step Wall: 1619.76, 0.0029855/step, 3.69555 hours remaining, 206.683594 MB of memory in use. ENERGY: 543800 730.4300 2091.9236 1922.8130 113.1411 -205840.4757 17614.0628 0.0000 0.0000 34094.9291 -149273.1761 297.7595 -183368.1052 -149182.8103 299.3537 -123.1369 -90.9040 557401.9713 6.9777 6.7436 PRESSURE: 544000 -153.013 -139.839 -33.539 -139.837 -158.7 -90.0967 -33.5402 -90.0972 -156.351 GPRESSURE: 544000 -151.262 -171.274 -13.5296 -125.816 -96.4825 -17.8992 19.4061 -148.007 -115.711 PRESSAVG: 544000 -20.4469 -16.9744 -26.1446 -16.9742 -0.799739 -29.6713 -26.1446 -29.6713 38.0674 GPRESSAVG: 544000 -21.983 -16.1244 -25.0277 -16.3566 -1.3177 -27.7523 -29.012 -31.8058 39.8317 TIMING: 544000 CPU: 1620.36, 0.00298347/step Wall: 1620.36, 0.00298347/step, 3.69287 hours remaining, 206.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 544000 750.1028 2034.8823 1948.3506 106.2228 -206082.3393 17733.4189 0.0000 0.0000 34064.0792 -149445.2827 297.4901 -183509.3619 -149347.2002 298.1376 -156.0213 -121.1519 556631.4488 5.6069 5.5103 PRESSURE: 544200 -563.559 265.503 -33.9909 265.503 -92.7105 64.4854 -33.9908 64.486 -306.767 GPRESSURE: 544200 -590.693 309.333 -114.788 114.024 -62.8993 -8.46261 -57.7566 105.5 -201.776 PRESSAVG: 544200 14.1341 -44.5929 -18.1506 -44.593 -16.908 -1.43584 -18.1506 -1.436 61.2519 GPRESSAVG: 544200 15.8989 -43.9688 -18.7211 -45.2536 -17.2145 -2.06676 -17.8765 2.0106 59.8855 TIMING: 544200 CPU: 1620.95, 0.00295195/step Wall: 1620.95, 0.00295195/step, 3.65369 hours remaining, 206.683594 MB of memory in use. ENERGY: 544200 733.3720 2087.1037 1914.5246 105.9435 -205671.0263 17241.8763 0.0000 0.0000 34209.3743 -149378.8321 298.7590 -183588.2063 -149293.7336 298.9084 -321.0121 -285.1228 556002.1920 19.4927 19.5233 LDB: ============= START OF LOAD BALANCING ============== 1624.5 LDB: ============== END OF LOAD BALANCING =============== 1624.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1624.5 LDB: ============= START OF LOAD BALANCING ============== 1624.8 LDB: Largest compute 4796 load 0.028882 is 24.5% of average load 0.118027 LDB: Average compute 0.001750 is 1.5% of average load 0.118027 LDB: TIME 1624.8 LOAD: AVG 0.118027 MAX 0.20045 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.684 MB LDB: TIME 1624.8 LOAD: AVG 0.118027 MAX 0.20045 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: TIME 1624.8 LOAD: AVG 0.118027 MAX 0.20045 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1624.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1624.8 PRESSURE: 544400 -61.7308 -22.6319 49.4625 -22.633 129.861 9.94531 49.4632 9.94502 137.038 GPRESSURE: 544400 -42.16 8.44248 -5.32098 74.157 211.484 25.5859 15.4953 10.8094 138.63 PRESSAVG: 544400 -16.7193 -12.1978 -35.4944 -12.198 15.1738 1.82058 -35.4945 1.82061 -11.6132 GPRESSAVG: 544400 -17.3354 -11.6034 -33.3088 -12.2499 15.659 0.268583 -36.6285 2.03661 -11.5813 TIMING: 544400 CPU: 1621.55, 0.00302588/step Wall: 1621.55, 0.00302588/step, 3.74503 hours remaining, 207.195312 MB of memory in use. ENERGY: 544400 743.9852 2028.2870 1937.5545 110.3439 -206327.7795 17860.2958 0.0000 0.0000 34312.3270 -149334.9859 299.6581 -183647.3129 -149242.0025 299.4592 68.3892 102.6511 557129.4518 -4.3862 -4.4192 PRESSURE: 544600 -175.497 -53.8713 -30.4985 -53.8703 -45.6845 -47.5359 -30.4975 -47.5352 -103.435 GPRESSURE: 544600 -106.665 -113.257 -94.6871 -10.2792 1.507 -100.758 -49.869 -56.2639 -120.157 PRESSAVG: 544600 -19.662 -0.922241 -7.97652 -0.922234 -13.0853 -27.4305 -7.97647 -27.4306 78.1395 GPRESSAVG: 544600 -19.7342 -1.85606 -10.9194 -0.720906 -12.0102 -25.182 -4.90428 -28.7855 77.2238 TIMING: 544600 CPU: 1622.15, 0.00296387/step Wall: 1622.15, 0.00296387/step, 3.66812 hours remaining, 207.195312 MB of memory in use. ENERGY: 544600 756.9976 2124.1858 1907.2904 100.0715 -206258.4904 17744.2861 0.0000 0.0000 34049.2428 -149576.4162 297.3605 -183625.6590 -149476.5089 298.7045 -108.2055 -75.1050 556807.2183 15.1307 15.1598 PRESSURE: 544800 -38.1832 -97.3398 -178.366 -97.3404 310.376 -52.6049 -178.366 -52.6059 151.778 GPRESSURE: 544800 -27.439 -88.3364 -225.856 -145.379 353.46 3.72782 -127.927 -98.2219 187.303 PRESSAVG: 544800 31.6441 20.9331 20.2561 20.933 31.7449 1.48202 20.2561 1.48208 -23.5242 GPRESSAVG: 544800 31.7906 21.0207 21.9346 22.1528 31.0804 0.135372 22.3645 2.65445 -22.9773 TIMING: 544800 CPU: 1622.74, 0.00294395/step Wall: 1622.74, 0.00294395/step, 3.6433 hours remaining, 207.320312 MB of memory in use. ENERGY: 544800 750.0071 2062.1397 1916.5589 106.6957 -207330.7803 18228.4486 0.0000 0.0000 34591.9160 -149675.0143 302.0998 -184266.9304 -149584.0623 297.9139 141.3236 171.1080 556252.5689 13.2882 13.2979 PRESSURE: 545000 74.5181 88.6331 -14.9491 88.6333 -178.075 34.4781 -14.9497 34.4781 -161.211 GPRESSURE: 545000 16.0166 55.9942 -50.4119 44.869 -49.1501 31.4186 -41.6501 62.1167 -135.853 PRESSAVG: 545000 46.4969 26.4566 -3.74208 26.4566 20.747 6.39935 -3.74214 6.39955 -66.2221 GPRESSAVG: 545000 45.888 26.2224 -3.08213 23.6955 21.0694 7.46195 -8.55187 3.88024 -65.8554 TIMING: 545000 CPU: 1623.33, 0.00295471/step Wall: 1623.33, 0.00295471/step, 3.65646 hours remaining, 207.320312 MB of memory in use. ENERGY: 545000 704.4568 2022.1168 1932.9038 115.6947 -206479.3932 17773.7881 0.0000 0.0000 34175.9035 -149754.5295 298.4667 -183930.4330 -149656.5568 298.3447 -88.2561 -56.3287 557254.5665 0.3406 0.3673 PRESSURE: 545200 296.558 62.271 40.4485 62.2712 -179.847 107.043 40.4482 107.042 -171.75 GPRESSURE: 545200 288.248 60.5259 -25.331 44.6012 -119.557 50.9996 69.1408 46.3045 -123.516 PRESSAVG: 545200 -3.47763 11.0707 2.27203 11.0707 46.4101 9.13945 2.27207 9.13956 -19.7814 GPRESSAVG: 545200 -3.92246 11.3756 0.911534 10.8498 46.2875 6.31803 3.27984 11.1926 -19.3253 TIMING: 545200 CPU: 1623.92, 0.00295484/step Wall: 1623.92, 0.00295484/step, 3.65645 hours remaining, 207.320312 MB of memory in use. ENERGY: 545200 746.6719 2082.2946 1920.4024 107.3098 -206700.7870 17869.1301 0.0000 0.0000 34204.4681 -149770.5101 298.7161 -183974.9781 -149676.7064 297.8919 -18.3464 15.0583 556107.5945 7.7170 7.6799 PRESSURE: 545400 -69.5452 -80.1756 -8.559 -80.1762 162.918 108.862 -8.5584 108.861 -53.9573 GPRESSURE: 545400 -47.2313 -53.4835 -7.98913 -128.851 190.409 78.9673 58.7115 127.82 -14.3653 PRESSAVG: 545400 -13.9307 -75.7253 11.7196 -75.7253 -4.49627 28.9966 11.7195 28.9966 3.66404 GPRESSAVG: 545400 -14.1369 -76.9643 11.0875 -74.0931 -3.48529 32.5319 14.1833 29.4258 3.19501 TIMING: 545400 CPU: 1624.5, 0.00293461/step Wall: 1624.5, 0.00293461/step, 3.63125 hours remaining, 207.320312 MB of memory in use. ENERGY: 545400 739.5095 2048.8395 1925.8503 103.3069 -206479.6781 18009.4244 0.0000 0.0000 33889.9786 -149762.7689 295.9696 -183652.7475 -149670.7878 297.5963 13.1383 42.9373 557427.1779 -4.9210 -4.8091 PRESSURE: 545600 -317.85 -25.8236 55.2037 -25.8242 -98.1603 192.994 55.204 192.993 -271.195 GPRESSURE: 545600 -264.925 -63.6431 28.4141 -53.0384 -41.5229 149.993 84.1259 261.722 -278.969 PRESSAVG: 545600 -28.7474 -10.7242 -5.33968 -10.7241 25.4134 68.4806 -5.33965 68.4805 53.25 GPRESSAVG: 545600 -28.7008 -10.5532 -4.10551 -11.0521 25.0536 68.1101 -7.11499 67.6701 53.5631 TIMING: 545600 CPU: 1625.09, 0.00291395/step Wall: 1625.09, 0.00291395/step, 3.60553 hours remaining, 207.320312 MB of memory in use. ENERGY: 545600 792.1409 2084.4388 1935.6277 121.0512 -206568.8756 17760.0944 0.0000 0.0000 34352.9467 -149522.5758 300.0128 -183875.5226 -149429.8979 298.6656 -229.0684 -195.1390 557190.1854 16.6387 16.6386 PRESSURE: 545800 -85.1412 23.1642 102.792 23.1638 -271.939 49.1263 102.793 49.1263 -21.0723 GPRESSURE: 545800 -23.6797 132.661 46.6487 -29.3735 -216.499 77.4857 116.39 100.557 -50.7958 PRESSAVG: 545800 3.21581 -25.3709 49.941 -25.371 -4.84265 58.4729 49.9409 58.4729 0.727868 GPRESSAVG: 545800 2.97675 -25.7255 49.7443 -25.2035 -4.46294 56.2946 50.7195 59.6614 0.600874 TIMING: 545800 CPU: 1625.67, 0.00293964/step Wall: 1625.67, 0.00293964/step, 3.63715 hours remaining, 207.320312 MB of memory in use. ENERGY: 545800 722.2085 2076.9807 1944.6981 108.8278 -206248.7021 17598.1138 0.0000 0.0000 34250.5674 -149547.3059 299.1187 -183797.8733 -149447.2286 298.9718 -126.0509 -96.9914 557205.2433 -0.2997 -0.2951 PRESSURE: 546000 114.422 -68.14 55.3432 -68.1396 -329.581 173.119 55.3412 173.118 -266.321 GPRESSURE: 546000 102.943 -99.9608 106.332 -71.2997 -253.892 121.585 -46.7968 194.53 -233.691 PRESSAVG: 546000 12.1339 -10.8863 67.5971 -10.8863 40.6081 42.8408 67.5971 42.8408 -29.6808 GPRESSAVG: 546000 12.6439 -10.6004 65.4432 -9.32965 40.4915 43.8301 68.4584 42.3743 -30.5488 TIMING: 546000 CPU: 1626.26, 0.00294069/step Wall: 1626.26, 0.00294069/step, 3.63829 hours remaining, 207.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 546000 779.4430 2102.0040 1921.6226 116.6485 -206050.2261 17746.1848 0.0000 0.0000 34041.9626 -149342.3607 297.2969 -183384.3233 -149246.3892 298.6950 -160.4931 -128.2134 557621.7716 7.6871 7.5289 PRESSURE: 546200 -297.534 7.06435 37.7251 7.06253 -144.848 26.7556 37.7263 26.7546 1.48574 GPRESSURE: 546200 -201.982 120.026 -56.963 -28.4037 -119.005 38.7372 -21.4714 14.2502 -21.5227 PRESSAVG: 546200 -22.3462 -9.35868 24.3486 -9.35872 -8.60669 28.4126 24.3486 28.4127 -7.37749 GPRESSAVG: 546200 -22.1734 -8.32621 26.0927 -12.3046 -8.99465 28.1395 21.9286 27.6748 -7.2648 TIMING: 546200 CPU: 1626.86, 0.0029615/step Wall: 1626.86, 0.0029615/step, 3.66387 hours remaining, 207.320312 MB of memory in use. ENERGY: 546200 734.5103 2118.7783 1926.8230 116.8204 -205971.0505 17591.4883 0.0000 0.0000 34171.6634 -149310.9668 298.4296 -183482.6302 -149222.0836 298.4345 -146.9656 -114.1697 558112.5979 -12.7768 -12.8110 PRESSURE: 546400 -70.8983 -10.3371 -12.7548 -10.3384 -52.6924 -16.7564 -12.7544 -16.7541 -114.367 GPRESSURE: 546400 -48.2792 -5.78356 -39.4771 7.6518 -32.6887 11.2634 -0.772802 10.2198 -58.537 PRESSAVG: 546400 19.4827 -6.98509 -13.441 -6.98512 -68.0273 -4.34657 -13.441 -4.34661 60.2532 GPRESSAVG: 546400 18.7818 -8.03009 -12.6151 -4.67191 -68.2149 -4.93312 -14.5412 -6.49947 61.6253 TIMING: 546400 CPU: 1627.45, 0.0029553/step Wall: 1627.45, 0.0029553/step, 3.65603 hours remaining, 207.320312 MB of memory in use. ENERGY: 546400 759.5941 2110.8224 1958.2003 103.8767 -206050.3192 17711.0439 0.0000 0.0000 34148.6296 -149258.1521 298.2285 -183406.7817 -149159.4381 299.1316 -79.3192 -46.5017 556605.6530 3.9029 4.0641 PRESSURE: 546600 -60.5679 -74.2216 18.814 -74.2228 53.5826 52.1806 18.8134 52.1801 11.1767 GPRESSURE: 546600 -19.878 -46.0904 15.0389 -169.831 48.3463 43.4261 40.993 91.5534 86.5285 PRESSAVG: 546600 29.2593 -55.0404 5.59583 -55.0403 2.28808 -10.8769 5.59584 -10.8769 -8.18494 GPRESSAVG: 546600 30.8338 -56.5464 5.24415 -55.8369 2.22957 -11.2417 8.76082 -9.47964 -9.27465 TIMING: 546600 CPU: 1628.04, 0.00298894/step Wall: 1628.04, 0.00298894/step, 3.69749 hours remaining, 207.320312 MB of memory in use. ENERGY: 546600 745.0677 2048.3596 1944.9417 105.7289 -206546.1473 18027.7925 0.0000 0.0000 34377.9421 -149296.3149 300.2311 -183674.2569 -149201.9862 299.1179 1.3971 38.3323 558277.5747 7.7875 7.9296 PRESSURE: 546800 89.8231 73.4523 206.635 73.4524 137.465 65.7136 206.636 65.7136 148.352 GPRESSURE: 546800 143.959 75.1632 199.644 54.6234 163.78 130.156 178.29 -4.39469 172.034 PRESSAVG: 546800 23.9739 2.80732 -33.8634 2.80728 -43.9538 -0.519377 -33.8634 -0.519427 69.5582 GPRESSAVG: 546800 22.7431 5.09276 -34.5161 1.18876 -42.6113 0.978517 -35.4619 0.179976 69.3216 TIMING: 546800 CPU: 1628.64, 0.00296567/step Wall: 1628.64, 0.00296567/step, 3.66853 hours remaining, 207.320312 MB of memory in use. ENERGY: 546800 736.5074 2048.2179 1937.4168 105.4644 -206103.7151 18039.8942 0.0000 0.0000 34034.1774 -149202.0372 297.2289 -183236.2145 -149111.3355 299.5724 125.2134 159.9247 557999.1942 16.5261 16.4845 PRESSURE: 547000 -236.325 -82.3889 147.99 -82.3887 -120.535 -111.153 147.99 -111.155 -41.4725 GPRESSURE: 547000 -245.566 25.2396 186.117 -186.805 -45.5895 -114.339 120.261 -74.9876 -4.68775 PRESSAVG: 547000 6.99927 -22.9518 -15.9197 -22.9519 -12.6311 -39.9236 -15.9198 -39.9237 23.9633 GPRESSAVG: 547000 7.62607 -22.7421 -13.6537 -21.6466 -14.6764 -42.0305 -17.1712 -38.2744 24.7886 TIMING: 547000 CPU: 1629.23, 0.00295939/step Wall: 1629.23, 0.00295939/step, 3.6606 hours remaining, 207.320312 MB of memory in use. ENERGY: 547000 759.1526 2128.9591 1944.1075 99.6404 -205977.9650 17602.6032 0.0000 0.0000 34241.3080 -149202.1942 299.0379 -183443.5022 -149104.0973 299.0509 -132.7776 -98.6145 556614.9174 6.1105 5.9127 PRESSURE: 547200 -11.9167 -147.809 -68.9835 -147.809 309.613 2.38233 -68.9824 2.3829 49.7109 GPRESSURE: 547200 37.5507 -68.7916 -82.5751 -192.407 303.068 9.91152 -83.0753 -2.2029 100.44 PRESSAVG: 547200 -13.0281 -40.2242 -43.229 -40.2242 48.722 28.2385 -43.2289 28.2385 -20.1375 GPRESSAVG: 547200 -13.0973 -41.2204 -44.4867 -39.8338 49.8492 29.1734 -40.8473 25.5428 -21.6745 TIMING: 547200 CPU: 1629.82, 0.00295691/step Wall: 1629.82, 0.00295691/step, 3.65737 hours remaining, 207.320312 MB of memory in use. ENERGY: 547200 715.8563 2046.6105 1961.7645 108.3897 -206106.0215 17873.9156 0.0000 0.0000 34211.6168 -149187.8680 298.7786 -183399.4848 -149094.2399 299.0004 115.8023 147.0198 556850.9937 5.1855 5.0258 PRESSURE: 547400 -15.6685 -12.7339 76.8197 -12.7323 116.648 -87.4683 76.8193 -87.4682 -276.131 GPRESSURE: 547400 92.9743 -69.4655 135.258 10.5926 53.987 -191.582 11.6685 -90.5059 -231.359 PRESSAVG: 547400 76.2527 -28.1973 -37.9361 -28.1973 -2.96738 9.61712 -37.9361 9.61725 -46.1457 GPRESSAVG: 547400 75.7798 -28.1489 -39.0903 -28.4296 -2.69202 8.00083 -38.5526 12.9111 -46.0421 TIMING: 547400 CPU: 1630.41, 0.00296451/step Wall: 1630.41, 0.00296451/step, 3.66661 hours remaining, 207.320312 MB of memory in use. ENERGY: 547400 735.8933 2080.5925 1922.6638 114.1312 -206162.9138 17743.4097 0.0000 0.0000 34406.6900 -149159.5333 300.4822 -183566.2233 -149062.3295 299.3746 -58.3839 -28.1327 556845.1103 9.0465 9.0152 PRESSURE: 547600 187.032 -101.584 70.545 -101.584 24.3353 -30.781 70.5469 -30.7798 265.471 GPRESSURE: 547600 181.589 -15.9135 20.4763 -140.284 67.5142 -45.4549 132.872 -55.9371 335.762 PRESSAVG: 547600 11.5966 -14.4726 -14.7815 -14.4725 -40.4132 -41.4438 -14.7815 -41.4439 2.31126 GPRESSAVG: 547600 12.5371 -12.7563 -13.3023 -14.4058 -41.8266 -38.5528 -14.9331 -44.7322 2.52993 TIMING: 547600 CPU: 1631.01, 0.00297152/step Wall: 1631.01, 0.00297152/step, 3.67511 hours remaining, 207.320312 MB of memory in use. ENERGY: 547600 735.6806 2063.5464 1963.4163 98.0972 -206029.0026 17809.7526 0.0000 0.0000 34240.8344 -149117.6751 299.0337 -183358.5094 -149025.2951 299.7677 158.9462 194.9551 555388.2656 -8.8351 -8.9198 PRESSURE: 547800 -109.94 -152.461 -39.2953 -152.461 -19.6045 -136.886 -39.2962 -136.887 -160.625 GPRESSURE: 547800 -82.3423 -162.691 -75.2204 -18.9822 62.4813 -53.05 -87.7731 -169.71 -166.96 PRESSAVG: 547800 48.5971 19.3758 12.8973 19.3758 -18.8756 -17.6252 12.8973 -17.6252 -1.11787 GPRESSAVG: 547800 47.4402 20.1498 14.0549 17.27 -17.9199 -18.3072 13.8515 -15.5385 -0.894339 TIMING: 547800 CPU: 1631.6, 0.0029611/step Wall: 1631.6, 0.0029611/step, 3.66206 hours remaining, 207.320312 MB of memory in use. ENERGY: 547800 736.8719 2015.2101 1945.4640 110.7748 -205696.3662 17643.8653 0.0000 0.0000 34066.4482 -149177.7319 297.5108 -183244.1801 -149086.9585 299.8870 -96.7231 -62.2736 557020.5204 9.5345 9.5420 PRESSURE: 548000 -89.9022 11.906 -172.925 11.907 12.2117 66.6131 -172.925 66.6135 -35.0937 GPRESSURE: 548000 -41.881 34.2687 -54.3251 -16.9802 -27.6583 7.26803 -247.979 68.2357 55.5965 PRESSAVG: 548000 -9.5006 0.516424 -80.4839 0.516443 -26.226 61.719 -80.484 61.719 14.0636 GPRESSAVG: 548000 -9.5886 0.515066 -80.9443 0.618386 -27.3239 61.5951 -81.5204 61.0874 15.2687 TIMING: 548000 CPU: 1632.19, 0.00295138/step Wall: 1632.19, 0.00295138/step, 3.64988 hours remaining, 207.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 548000 733.8723 2047.6675 1957.8604 114.1697 -206022.1639 17742.2560 0.0000 0.0000 34273.1832 -149153.1547 299.3162 -183426.3379 -149051.1396 299.1751 -37.5948 -4.6476 557550.6283 -7.2210 -7.2146 PRESSURE: 548200 -245.326 280.572 60.6384 280.573 86.0914 144.367 60.6381 144.366 -146.097 GPRESSURE: 548200 -199.406 245.582 74.3665 208.502 113.225 181.561 56.0177 154.893 -116.333 PRESSAVG: 548200 -30.9298 -5.15841 -22.1448 -5.15843 13.9986 -15.3577 -22.1449 -15.3577 7.99172 GPRESSAVG: 548200 -31.1864 -7.98735 -23.3186 -3.63708 14.7169 -15.2008 -20.483 -14.713 7.71367 TIMING: 548200 CPU: 1632.78, 0.00296387/step Wall: 1632.78, 0.00296387/step, 3.66515 hours remaining, 207.523438 MB of memory in use. ENERGY: 548200 760.3830 2074.6725 1941.9483 120.2623 -205722.1895 17646.7902 0.0000 0.0000 34112.2024 -149065.9307 297.9103 -183178.1331 -148972.4720 299.8437 -101.7773 -67.5046 559317.2946 -2.9798 -2.9186 LDB: ============= START OF LOAD BALANCING ============== 1636.33 LDB: ============== END OF LOAD BALANCING =============== 1636.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1636.33 LDB: ============= START OF LOAD BALANCING ============== 1636.62 LDB: Largest compute 4796 load 0.029400 is 24.9% of average load 0.117994 LDB: Average compute 0.001748 is 1.5% of average load 0.117994 LDB: TIME 1636.63 LOAD: AVG 0.117994 MAX 0.202579 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.195 MB LDB: TIME 1636.63 LOAD: AVG 0.117994 MAX 0.202579 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.258 MB LDB: TIME 1636.63 LOAD: AVG 0.117994 MAX 0.202579 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.258 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1636.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1636.63 PRESSURE: 548400 39.8484 -116.719 -136.272 -116.72 -228.187 33.2518 -136.272 33.2509 19.2783 GPRESSURE: 548400 106.803 6.27484 -182.425 -216.219 -173.89 -25.4933 -146.225 82.0585 -6.79027 PRESSAVG: 548400 3.45 -37.0695 -12.2091 -37.0695 -43.7281 -30.1261 -12.2092 -30.1261 47.2824 GPRESSAVG: 548400 3.04784 -34.6901 -11.5705 -37.8612 -43.2661 -29.7689 -14.2993 -31.2728 47.1754 TIMING: 548400 CPU: 1633.38, 0.00300203/step Wall: 1633.38, 0.00300203/step, 3.71218 hours remaining, 206.683594 MB of memory in use. ENERGY: 548400 730.0817 2061.2888 1946.8120 105.1903 -206105.2478 17720.0870 0.0000 0.0000 34389.4956 -149152.2923 300.3320 -183541.7879 -149059.4919 299.5924 -56.3533 -24.6258 557383.3884 2.3348 2.3190 PRESSURE: 548600 -155.821 -58.5826 -58.0477 -58.5834 -122.837 96.0653 -58.0474 96.0654 -62.0723 GPRESSURE: 548600 -80.5398 65.8635 22.403 -126.119 -47.803 138.07 -107.725 122.416 -104.789 PRESSAVG: 548600 18.4452 15.1746 -52.7487 15.1746 -78.896 27.8233 -52.7488 27.8233 25.715 GPRESSAVG: 548600 19.3172 14.2479 -54.4403 13.481 -79.5844 25.8294 -51.7673 31.6632 26.1326 TIMING: 548600 CPU: 1633.97, 0.00294175/step Wall: 1633.97, 0.00294175/step, 3.63748 hours remaining, 206.683594 MB of memory in use. ENERGY: 548600 733.0227 2135.9896 1953.6067 120.3656 -205985.9599 17550.5634 0.0000 0.0000 34386.2214 -149106.1906 300.3034 -183492.4120 -149005.2877 299.7789 -113.5768 -77.7105 557693.1869 -11.5786 -11.3782 PRESSURE: 548800 140.723 -90.3276 261.17 -90.3276 25.3359 185.639 261.17 185.64 49.8041 GPRESSURE: 548800 167.854 -88.7388 324.114 -117.383 63.3519 187.92 198.486 166.561 80.8361 PRESSAVG: 548800 41.8161 -22.2542 -20.4798 -22.2542 20.2661 31.9348 -20.4798 31.9348 -43.9698 GPRESSAVG: 548800 42.4541 -25.3198 -20.2033 -19.3227 20.7145 32.8116 -19.5479 30.9303 -44.8037 TIMING: 548800 CPU: 1634.57, 0.00297358/step Wall: 1634.57, 0.00297358/step, 3.67666 hours remaining, 206.683594 MB of memory in use. ENERGY: 548800 743.9497 2130.9435 1949.6833 104.6324 -206205.1421 17857.2456 0.0000 0.0000 34268.4268 -149150.2610 299.2747 -183418.6877 -149058.9355 299.8555 71.9542 104.0139 556937.0841 6.0375 6.1216 PRESSURE: 549000 -61.8318 66.313 51.4059 66.3137 -166.693 -49.9822 51.4059 -49.9818 -76.9283 GPRESSURE: 549000 -16.1405 76.1501 76.7425 78.3131 -185.852 34.5175 101.575 61.1891 -17.56 PRESSAVG: 549000 -59.7608 -4.91883 26.4892 -4.91884 17.3057 -0.499193 26.4892 -0.499256 40.5606 GPRESSAVG: 549000 -59.8764 -2.25465 24.8493 -6.65499 17.2244 -0.751479 26.1714 -1.34454 40.7578 TIMING: 549000 CPU: 1635.16, 0.00296954/step Wall: 1635.16, 0.00296954/step, 3.6715 hours remaining, 206.683594 MB of memory in use. ENERGY: 549000 721.0385 2126.2704 1949.8293 116.5048 -206237.3099 17650.5243 0.0000 0.0000 34517.9677 -149155.1749 301.4540 -183673.1426 -149065.1817 299.9620 -101.8177 -73.1840 558878.6007 -0.6315 -0.6314 PRESSURE: 549200 -54.157 -97.8658 146.145 -97.8673 300.119 -55.6374 146.144 -55.6355 14.8449 GPRESSURE: 549200 4.4301 -102.91 181.455 -82.5749 319.311 -45.4143 69.6351 -65.942 41.3815 PRESSAVG: 549200 1.84269 0.973138 -43.1359 0.97316 -15.6346 44.8681 -43.1359 44.8679 -16.6512 GPRESSAVG: 549200 2.05506 1.38964 -41.1074 0.85596 -14.8402 47.3976 -44.8542 44.0934 -17.0375 TIMING: 549200 CPU: 1635.75, 0.00296393/step Wall: 1635.75, 0.00296393/step, 3.66441 hours remaining, 206.683594 MB of memory in use. ENERGY: 549200 764.8370 2094.5673 1944.7133 109.9941 -206345.8115 17907.2677 0.0000 0.0000 34258.6296 -149265.8025 299.1891 -183524.4321 -149171.9872 299.6436 86.9357 121.7076 556348.4240 -10.1477 -9.9409 PRESSURE: 549400 74.8372 194.909 113.117 194.91 102.226 76.4054 113.119 76.4045 137.097 GPRESSURE: 549400 116.044 198.964 80.839 166.097 112.013 78.3796 85.7151 53.291 173.99 PRESSAVG: 549400 44.4244 58.1093 -13.3102 58.1093 -16.4836 38.6092 -13.3101 38.6093 -14.7203 GPRESSAVG: 549400 43.9741 56.243 -16.2727 57.7741 -15.6433 36.3456 -12.0943 40.3502 -14.9685 TIMING: 549400 CPU: 1636.34, 0.00294178/step Wall: 1636.34, 0.00294178/step, 3.63685 hours remaining, 206.683594 MB of memory in use. ENERGY: 549400 751.7165 2058.2094 1949.6244 112.0235 -206450.2555 18069.5120 0.0000 0.0000 34243.0013 -149266.1684 299.0526 -183509.1697 -149172.4014 299.5517 104.7198 134.0158 557237.7314 4.4068 4.4541 PRESSURE: 549600 97.6782 148.554 73.9088 148.555 -72.8093 -123.756 73.9084 -123.755 -300.831 GPRESSURE: 549600 112.193 206.758 67.2406 121.45 -47.1092 -153.719 68.293 -163.834 -253.13 PRESSAVG: 549600 62.2354 40.0156 22.9533 40.0157 26.7591 19.8832 22.9534 19.8832 -68.9325 GPRESSAVG: 549600 61.643 42.0223 23.2527 38.8803 26.3482 19.4786 23.8461 19.7287 -67.4457 TIMING: 549600 CPU: 1636.93, 0.00294388/step Wall: 1636.93, 0.00294388/step, 3.63929 hours remaining, 206.683594 MB of memory in use. ENERGY: 549600 771.9057 2096.6564 1949.2213 110.5246 -205968.9275 17555.6838 0.0000 0.0000 34314.2916 -149170.6441 299.6752 -183484.9357 -149072.5140 298.9270 -91.9875 -62.6820 557357.1816 6.6873 6.8485 PRESSURE: 549800 -260.339 -53.7023 28.4889 -53.7025 -92.8875 145.406 28.4877 145.405 186.717 GPRESSURE: 549800 -260.009 -63.8186 79.3885 -22.5306 -78.5862 198.319 25.1703 114.595 257.247 PRESSAVG: 549800 -22.1921 31.925 -28.4863 31.925 -16.3766 -31.8067 -28.4864 -31.8068 2.62244 GPRESSAVG: 549800 -21.083 34.8742 -26.4536 32.0306 -17.1754 -29.7104 -28.8844 -32.4095 2.28435 TIMING: 549800 CPU: 1637.52, 0.00294304/step Wall: 1637.52, 0.00294304/step, 3.63808 hours remaining, 206.683594 MB of memory in use. ENERGY: 549800 748.4520 2115.1030 1976.3025 113.5489 -206295.7582 17833.2385 0.0000 0.0000 34622.3418 -148886.7715 302.3655 -183509.1134 -148790.2717 299.6762 -55.5033 -27.1158 556940.1851 -11.9821 -11.9914 PRESSURE: 550000 -93.7225 59.6589 -29.4393 59.6595 58.8868 -165.163 -29.4384 -165.162 62.9254 GPRESSURE: 550000 -15.3961 -8.2556 -38.3152 28.3759 76.6293 -150.671 -16.4324 -151.371 78.1287 PRESSAVG: 550000 26.4713 3.53991 -41.1681 3.53993 4.50012 12.0063 -41.1682 12.0063 2.34946 GPRESSAVG: 550000 26.3066 -0.523569 -41.8673 5.67873 4.17688 11.2188 -40.0372 10.3364 2.89868 TIMING: 550000 CPU: 1638.11, 0.00294808/step Wall: 1638.11, 0.00294808/step, 3.64415 hours remaining, 206.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 550000 731.0409 2081.7614 1939.2993 106.8801 -206178.2834 17835.8525 0.0000 0.0000 34489.9334 -148993.5158 301.2092 -183483.4492 -148892.7584 300.4940 9.3632 46.4540 557218.5079 11.1070 11.1274 PRESSURE: 550200 71.1844 -15.9505 -40.067 -15.9514 75.6277 106.163 -40.0652 106.164 121.914 GPRESSURE: 550200 112.164 4.49064 -85.9434 11.155 109.875 75.2254 -69.5796 81.0064 145.653 PRESSAVG: 550200 -3.08738 32.6678 11.7779 32.6677 4.01012 43.5406 11.7779 43.5406 -17.8963 GPRESSAVG: 550200 -2.05606 33.9146 14.0669 31.9045 3.67059 43.2619 8.1449 45.5968 -18.6388 TIMING: 550200 CPU: 1638.7, 0.00294265/step Wall: 1638.7, 0.00294265/step, 3.63728 hours remaining, 206.683594 MB of memory in use. ENERGY: 550200 730.1725 2144.3514 1921.3769 121.9378 -206000.8944 17814.0741 0.0000 0.0000 34254.5366 -149014.4450 299.1534 -183268.9817 -148924.0047 299.7059 89.5754 122.5638 557604.6095 -5.6579 -5.6748 PRESSURE: 550400 218.047 25.2832 -77.7972 25.2836 47.231 -22.351 -77.7965 -22.3506 -136.956 GPRESSURE: 550400 236.236 50.3495 -96.8397 7.94551 12.6104 -65.6139 -53.6028 -48.9841 -28.4222 PRESSAVG: 550400 8.26707 -26.0299 -15.3139 -26.0299 9.57518 -21.0512 -15.3139 -21.0513 -15.2711 GPRESSAVG: 550400 7.52947 -25.7329 -17.6895 -26.0003 9.0035 -22.088 -13.2509 -21.8102 -14.1394 TIMING: 550400 CPU: 1639.29, 0.00295056/step Wall: 1639.29, 0.00295056/step, 3.64689 hours remaining, 206.683594 MB of memory in use. ENERGY: 550400 718.2557 2063.0764 1924.1306 105.9272 -206126.7285 17822.3116 0.0000 0.0000 34273.5902 -149219.4367 299.3198 -183493.0270 -149121.4548 299.5489 42.7740 73.4746 557220.0730 0.8570 0.7979 PRESSURE: 550600 -99.5167 -105.215 -89.5618 -105.215 106.977 -53.4361 -89.561 -53.4351 154.852 GPRESSURE: 550600 -99.5789 -95.5694 -198.158 -98.7415 162.195 -120.728 -52.2482 -67.0333 192.571 PRESSAVG: 550600 42.9312 56.3761 -41.5982 56.3761 24.7496 -45.8831 -41.5982 -45.8831 -60.7251 GPRESSAVG: 550600 42.9346 56.2251 -40.7022 56.5769 25.1075 -46.9318 -43.3954 -46.4732 -60.5627 TIMING: 550600 CPU: 1639.88, 0.00296053/step Wall: 1639.88, 0.00296053/step, 3.65905 hours remaining, 206.683594 MB of memory in use. ENERGY: 550600 766.6237 2036.4571 1940.8999 122.9728 -206151.8818 17933.5513 0.0000 0.0000 34224.2654 -149127.1116 298.8890 -183351.3770 -149028.2140 299.2523 54.1041 85.0623 558946.5130 2.3186 2.4931 PRESSURE: 550800 237.862 -1.59857 -183.511 -1.59753 139.408 52.0111 -183.511 52.0096 240.012 GPRESSURE: 550800 278.398 -90.6607 -171.152 62.4451 216.398 40.7575 -87.8768 110.46 219.17 PRESSAVG: 550800 28.47 -4.23547 -38.3479 -4.23546 27.7485 5.8035 -38.348 5.80353 -68.7571 GPRESSAVG: 550800 28.4972 -5.28435 -37.5888 -5.81096 28.6796 7.2271 -37.1615 5.48172 -69.1558 TIMING: 550800 CPU: 1640.47, 0.00297112/step Wall: 1640.47, 0.00297112/step, 3.67197 hours remaining, 206.683594 MB of memory in use. ENERGY: 550800 732.6886 2055.8786 1938.0379 104.2532 -206434.0226 18174.7013 0.0000 0.0000 34469.7000 -148958.7630 301.0325 -183428.4630 -148864.4593 300.1863 205.7608 237.9886 558684.5326 -4.1795 -3.9930 PRESSURE: 551000 -263.769 -88.851 220.621 -88.8518 14.1692 -80.0397 220.621 -80.0426 -303.639 GPRESSURE: 551000 -237.068 -120.135 152.757 -88.1526 67.017 -71.5385 186.799 -148.472 -281.804 PRESSAVG: 551000 31.054 -9.25602 9.00785 -9.25591 26.2163 28.2027 9.00791 28.2028 -72.4767 GPRESSAVG: 551000 30.7758 -9.5134 7.9776 -7.47959 27.1907 28.5783 9.2648 27.9576 -73.3157 TIMING: 551000 CPU: 1641.07, 0.00298905/step Wall: 1641.07, 0.00298905/step, 3.69397 hours remaining, 206.683594 MB of memory in use. ENERGY: 551000 740.8937 2087.3743 1931.3177 117.3897 -206017.2726 17679.4017 0.0000 0.0000 34553.3813 -148907.5142 301.7633 -183460.8955 -148813.9060 300.2941 -184.4129 -150.6184 558975.6952 -5.0688 -5.1164 PRESSURE: 551200 -357.262 102.986 60.4544 102.987 127.23 -89.7538 60.4557 -89.7537 -56.6429 GPRESSURE: 551200 -279.215 91.3808 121.7 15.597 140.213 -148.63 -2.14594 -51.8325 -37.7308 PRESSAVG: 551200 -12.7855 -51.7498 -2.05344 -51.7498 58.6553 -29.0775 -2.05347 -29.0775 -15.779 GPRESSAVG: 551200 -12.5466 -52.746 -0.0223809 -52.2344 57.176 -29.016 -4.90125 -29.3495 -14.7034 TIMING: 551200 CPU: 1641.66, 0.00294669/step Wall: 1641.66, 0.00294669/step, 3.64146 hours remaining, 206.683594 MB of memory in use. ENERGY: 551200 736.2893 2108.0402 1930.4614 112.9809 -205778.6784 17649.8365 0.0000 0.0000 34176.0829 -149064.9873 298.4682 -183241.0702 -148970.5282 300.2579 -95.5582 -58.9112 557370.0725 10.0303 9.9753 PRESSURE: 551400 80.8049 -28.1459 69.3801 -28.1462 -51.1663 59.5574 69.382 59.5576 1.59256 GPRESSURE: 551400 86.4004 -63.0931 42.9239 -35.3111 42.0095 94.5972 82.8947 64.911 2.27534 PRESSAVG: 551400 28.2793 9.80074 31.9589 9.80067 8.44967 -17.7015 31.9589 -17.7015 -32.5203 GPRESSAVG: 551400 27.8646 10.1125 32.5065 9.92317 9.58148 -16.4966 32.9302 -18.1667 -32.9474 TIMING: 551400 CPU: 1642.25, 0.00296438/step Wall: 1642.25, 0.00296438/step, 3.66316 hours remaining, 206.683594 MB of memory in use. ENERGY: 551400 707.9337 2059.8458 1914.9486 101.1216 -205862.9765 17735.5913 0.0000 0.0000 34249.1365 -149094.3990 299.1062 -183343.5355 -148995.6023 299.4656 10.4104 43.5618 558427.0922 1.4029 1.4996 PRESSURE: 551600 397.5 24.2421 -35.3805 24.2415 30.3769 74.6624 -35.3809 74.6628 -302.015 GPRESSURE: 551600 423.141 64.9596 -41.2443 -41.4705 78.9108 43.4906 -73.2758 13.3561 -274.016 PRESSAVG: 551600 36.1509 6.76554 43.9929 6.76559 9.85009 -25.2022 43.993 -25.2022 -56.6711 GPRESSAVG: 551600 36.7703 7.85636 42.3354 5.87619 9.85889 -26.4663 44.1852 -24.0542 -57.3856 TIMING: 551600 CPU: 1642.84, 0.00294615/step Wall: 1642.84, 0.00294615/step, 3.64046 hours remaining, 206.683594 MB of memory in use. ENERGY: 551600 763.5468 2021.5713 1941.6085 105.4197 -205951.1038 17801.3054 0.0000 0.0000 34363.7252 -148953.9268 300.1070 -183317.6520 -148853.2880 299.3439 41.9541 76.0118 557555.4537 -3.5567 -3.5855 PRESSURE: 551800 -151.28 -39.8404 -1.24022 -39.8403 137.739 118.469 -1.23805 118.468 -16.7213 GPRESSURE: 551800 -92.9568 -59.9495 46.6571 -23.7843 148.635 80.0613 19.3605 132.255 20.9582 PRESSAVG: 551800 53.4304 -8.58686 27.3096 -8.58676 -31.2778 3.60685 27.3096 3.60679 27.2651 GPRESSAVG: 551800 52.6092 -7.61366 27.6595 -8.77514 -31.8674 3.2887 27.5627 4.4118 28.6961 TIMING: 551800 CPU: 1643.44, 0.00296686/step Wall: 1643.44, 0.00296686/step, 3.66589 hours remaining, 206.683594 MB of memory in use. ENERGY: 551800 710.1672 2020.9321 1919.6944 115.6831 -206084.6624 17844.8417 0.0000 0.0000 34582.2298 -148891.1141 302.0152 -183473.3439 -148791.7646 300.6739 -10.0876 25.5456 557774.2723 16.4726 16.4793 PRESSURE: 552000 -27.389 -71.1013 -134.622 -71.1018 -0.976527 88.9456 -134.621 88.9456 -5.16659 GPRESSURE: 552000 -14.3002 -102.042 -76.8244 -114.658 -4.61532 152.719 -150.925 57.08 67.0943 PRESSAVG: 552000 18.5943 -0.696019 -5.28027 -0.696093 -17.3145 -6.94695 -5.28013 -6.947 0.477767 GPRESSAVG: 552000 18.3953 -0.804301 -5.43396 0.0712167 -16.1552 -5.20459 -6.19993 -8.61957 -0.8899 TIMING: 552000 CPU: 1644.03, 0.00296328/step Wall: 1644.03, 0.00296328/step, 3.66129 hours remaining, 206.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 552000 757.4028 2112.9152 1957.6234 113.3888 -205800.9134 17639.6028 0.0000 0.0000 34289.6177 -148930.3627 299.4598 -183219.9804 -148839.4814 299.9003 -11.1774 16.0596 557145.5067 0.5859 0.4501 PRESSURE: 552200 -96.9568 46.041 125.278 46.0394 287.398 94.9165 125.278 94.9171 195.336 GPRESSURE: 552200 -53.4684 8.73118 125.278 44.2203 386.315 84.4127 143.632 116.779 152.348 PRESSAVG: 552200 22.9524 -21.8775 -20.8743 -21.8774 -9.29854 22.3024 -20.8743 22.3024 61.5523 GPRESSAVG: 552200 23.788 -23.0551 -18.7514 -21.4183 -10.1681 22.4924 -19.6245 21.3984 61.7644 TIMING: 552200 CPU: 1644.62, 0.00296923/step Wall: 1644.62, 0.00296923/step, 3.66849 hours remaining, 206.683594 MB of memory in use. ENERGY: 552200 738.9771 2128.2980 1952.9029 117.4801 -205951.2504 17854.7691 0.0000 0.0000 34310.2088 -148848.6144 299.6396 -183158.8232 -148755.7561 300.4247 128.5924 161.7316 557479.5908 25.0687 25.1281 LDB: ============= START OF LOAD BALANCING ============== 1648.17 LDB: ============== END OF LOAD BALANCING =============== 1648.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1648.17 LDB: ============= START OF LOAD BALANCING ============== 1648.47 LDB: Largest compute 4796 load 0.030345 is 25.7% of average load 0.117987 LDB: Average compute 0.001743 is 1.5% of average load 0.117987 LDB: TIME 1648.47 LOAD: AVG 0.117987 MAX 0.203933 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.195 MB LDB: TIME 1648.47 LOAD: AVG 0.117987 MAX 0.203933 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.195 MB LDB: TIME 1648.47 LOAD: AVG 0.117987 MAX 0.203933 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.195 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1648.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1648.48 PRESSURE: 552400 75.9612 -8.08435 -295.373 -8.08513 -68.2043 -40.0182 -295.372 -40.0177 -278.55 GPRESSURE: 552400 95.5436 -50.799 -311.876 59.0506 -30.0297 -91.6139 -271.466 -18.4592 -225.84 PRESSAVG: 552400 -37.9957 -5.76941 25.3995 -5.7694 51.6842 -14.8966 25.3994 -14.8966 18.9507 GPRESSAVG: 552400 -39.2085 -4.65852 22.7329 -7.35605 52.0057 -16.4036 27.6505 -12.2378 20.0775 TIMING: 552400 CPU: 1645.23, 0.00301243/step Wall: 1645.23, 0.00301243/step, 3.72169 hours remaining, 206.683594 MB of memory in use. ENERGY: 552400 761.9056 2097.0201 1920.8205 124.4771 -205662.8092 17617.7776 0.0000 0.0000 34194.3270 -148946.4814 298.6276 -183140.8083 -148849.0824 299.8759 -90.2645 -53.4421 558578.2594 10.8797 10.9582 PRESSURE: 552600 75.6028 68.279 94.0583 68.278 -50.3753 -15.5281 94.0579 -15.5275 0.3288 GPRESSURE: 552600 138.766 139.19 43.8573 53.888 -55.162 -48.0839 158.432 -1.8325 32.531 PRESSAVG: 552600 -36.1454 23.8102 -47.0298 23.8103 46.0871 -34.77 -47.0299 -34.77 -27.262 GPRESSAVG: 552600 -33.8069 22.7722 -47.545 24.4744 45.082 -34.1745 -48.6206 -37.219 -28.3686 TIMING: 552600 CPU: 1645.82, 0.0029732/step Wall: 1645.82, 0.0029732/step, 3.67306 hours remaining, 206.886719 MB of memory in use. ENERGY: 552600 759.1086 2044.1738 1907.8395 128.3356 -206205.4199 17893.9408 0.0000 0.0000 34303.0922 -149168.9296 299.5774 -183472.0217 -149074.8709 298.9043 8.5188 38.7117 558366.1088 -5.7734 -5.6978 PRESSURE: 552800 139.754 -5.09337 -170.383 -5.09362 -87.6993 81.5226 -170.383 81.5223 -153.277 GPRESSURE: 552800 70.883 1.88834 -315.775 21.7753 -19.9917 -0.0813464 0.937066 155.831 -48.7509 PRESSAVG: 552800 -73.504 37.4171 -56.0993 37.4172 45.6835 -19.958 -56.0993 -19.9581 10.8749 GPRESSAVG: 552800 -75.0068 37.8475 -55.9759 36.8347 47.1077 -21.058 -56.5537 -17.4474 11.2419 TIMING: 552800 CPU: 1646.41, 0.00297541/step Wall: 1646.41, 0.00297541/step, 3.67562 hours remaining, 206.886719 MB of memory in use. ENERGY: 552800 743.9163 2062.4850 1919.3811 119.8366 -206237.2817 17844.1086 0.0000 0.0000 34190.4575 -149357.0966 298.5938 -183547.5541 -149265.6258 299.5628 -33.7406 0.7135 557507.7684 -5.6485 -5.5524 PRESSURE: 553000 67.0566 31.2786 -22.6888 31.2767 -232.303 43.2694 -22.6881 43.2694 -58.4737 GPRESSURE: 553000 112.593 12.7225 -6.27971 35.5673 -179.613 45.2558 -65.0383 138.016 -64.3 PRESSAVG: 553000 -90.9426 14.9858 4.40596 14.9858 67.5284 -7.68039 4.40598 -7.6804 7.71377 GPRESSAVG: 553000 -91.2635 14.7996 5.42695 14.0584 66.2731 -6.57754 3.71933 -8.05907 9.14872 TIMING: 553000 CPU: 1647.01, 0.00297751/step Wall: 1647.01, 0.00297752/step, 3.67806 hours remaining, 206.886719 MB of memory in use. ENERGY: 553000 761.9840 2083.3780 1934.2749 105.4576 -206130.8321 17643.1557 0.0000 0.0000 34243.9419 -149358.6400 299.0609 -183602.5819 -149265.1578 299.2157 -74.5735 -43.7731 557854.1668 -5.2335 -5.2806 PRESSURE: 553200 66.3599 -72.9952 -224.38 -72.9969 -185.628 22.2442 -224.381 22.2439 -352.342 GPRESSURE: 553200 24.828 -31.0522 -264.184 -116.507 -93.5597 67.0969 -171.118 6.95295 -306.045 PRESSAVG: 553200 -3.04629 -48.5752 -10.7227 -48.5752 -1.13041 -35.2416 -10.7227 -35.2416 8.71325 GPRESSAVG: 553200 -2.89257 -46.9033 -11.7103 -49.9404 -0.477962 -34.6688 -9.91777 -35.6236 7.56771 TIMING: 553200 CPU: 1647.6, 0.00296483/step Wall: 1647.6, 0.00296483/step, 3.66222 hours remaining, 206.886719 MB of memory in use. ENERGY: 553200 784.3319 2134.6558 1919.0880 104.9754 -206372.2107 17718.7927 0.0000 0.0000 34243.3795 -149466.9873 299.0560 -183710.3668 -149374.8435 299.0098 -157.2036 -124.9254 558089.5696 1.5122 1.3991 PRESSURE: 553400 -171.276 -83.5605 -111.446 -83.5603 -163.454 -46.0449 -111.446 -46.0454 -48.6026 GPRESSURE: 553400 -200.979 -75.4563 -23.0222 -53.1325 -66.3148 -51.3146 -83.087 -37.651 -18.3664 PRESSAVG: 553400 -38.3976 -20.0096 19.1542 -20.0097 -7.77652 -15.6091 19.1541 -15.6091 45.9754 GPRESSAVG: 553400 -39.3485 -21.6935 21.1694 -17.4619 -6.62457 -17.9625 17.6521 -16.8469 45.7336 TIMING: 553400 CPU: 1648.19, 0.0029535/step Wall: 1648.19, 0.0029535/step, 3.64807 hours remaining, 206.886719 MB of memory in use. ENERGY: 553400 790.1348 2105.2736 1932.0893 114.4351 -206617.7883 17906.6800 0.0000 0.0000 34163.4351 -149605.7403 298.3578 -183769.1754 -149508.8043 298.6776 -127.7775 -95.2201 558038.1972 -0.0662 -0.0798 PRESSURE: 553600 -77.4587 -182.246 91.3214 -182.247 -57.3482 -93.7079 91.3215 -93.7078 -47.7637 GPRESSURE: 553600 -26.3539 -185.646 48.8995 -159.199 -12.3305 -35.5998 176.993 -28.1903 -57.2046 PRESSAVG: 553600 15.0927 9.12857 48.7618 9.12857 -9.23429 42.6571 48.7618 42.6571 6.15455 GPRESSAVG: 553600 16.3632 11.0663 47.7416 8.52593 -10.4365 42.9907 49.2735 42.3735 6.13631 TIMING: 553600 CPU: 1648.78, 0.00295257/step Wall: 1648.78, 0.00295258/step, 3.64676 hours remaining, 206.886719 MB of memory in use. ENERGY: 553600 732.0444 2074.3869 1904.5868 122.5125 -206212.6146 17688.1757 0.0000 0.0000 34198.5277 -149492.3806 298.6642 -183690.9083 -149389.5838 299.1162 -60.8569 -31.9630 556713.3317 4.0043 4.0210 PRESSURE: 553800 -46.8407 -17.9919 -149.968 -17.9923 -207.345 235.13 -149.968 235.129 -333.934 GPRESSURE: 553800 -44.2523 57.6013 -101.147 23.6888 -157.245 229.988 -153.553 236.342 -305.972 PRESSAVG: 553800 102.115 -45.0252 -24.9795 -45.0252 -97.7867 65.2643 -24.9795 65.2642 -3.98599 GPRESSAVG: 553800 102.052 -46.1067 -26.5601 -42.0197 -98.8529 66.0242 -23.9638 65.3206 -2.62771 TIMING: 553800 CPU: 1649.38, 0.00296021/step Wall: 1649.38, 0.00296021/step, 3.65602 hours remaining, 206.886719 MB of memory in use. ENERGY: 553800 747.7191 2077.1120 1938.1763 117.2588 -206482.6940 17671.2204 0.0000 0.0000 34269.0302 -149662.1773 299.2800 -183931.2075 -149564.7286 298.5643 -196.0400 -169.1562 556947.8162 0.1142 0.1903 PRESSURE: 554000 -102.268 -151.633 36.8234 -151.633 -46.0578 177.731 36.8242 177.731 -36.3104 GPRESSURE: 554000 -48.484 -180.884 -8.04633 -94.2563 -23.3367 122.781 56.5043 126.846 -25.5269 PRESSAVG: 554000 30.2831 -22.3509 16.9703 -22.351 34.1141 52.5042 16.9702 52.5041 -69.8289 GPRESSAVG: 554000 29.7679 -21.3542 19.7598 -24.2521 34.7264 52.0488 15.9377 53.3512 -69.9132 TIMING: 554000 CPU: 1649.97, 0.00295608/step Wall: 1649.97, 0.00295609/step, 3.65077 hours remaining, 206.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 554000 803.5237 2076.5390 1955.9382 119.3926 -206507.3533 17710.7325 0.0000 0.0000 34141.8046 -149699.4226 298.1689 -183841.2273 -149607.4381 298.7115 -61.5455 -32.4492 556294.1083 -1.8105 -1.8063 PRESSURE: 554200 229.464 -39.5991 -167.021 -39.5998 -73.002 -71.666 -167.021 -71.6663 70.5468 GPRESSURE: 554200 243.049 -24.1531 -130.046 -114.008 -18.8966 -180.224 -143.919 -7.9747 99.1845 PRESSAVG: 554200 -35.6716 21.8689 -24.4783 21.8689 35.2359 3.25812 -24.4784 3.25817 34.5788 GPRESSAVG: 554200 -35.6834 19.898 -24.9734 21.949 35.8979 4.77238 -24.6602 2.86577 34.009 TIMING: 554200 CPU: 1650.55, 0.00292768/step Wall: 1650.55, 0.00292768/step, 3.61552 hours remaining, 206.886719 MB of memory in use. ENERGY: 554200 790.7944 2088.1496 1965.2697 117.0729 -206716.0408 18032.1698 0.0000 0.0000 34045.8693 -149676.7152 297.3310 -183722.5845 -149578.1658 298.0952 75.6695 107.7790 556364.6989 11.3810 11.4079 PRESSURE: 554400 -168.641 -30.4844 181.951 -30.4846 75.8859 -62.5449 181.95 -62.5436 248.061 GPRESSURE: 554400 -140.967 49.2936 199.721 -90.4739 116.396 -57.3975 167.405 -136.699 279.781 PRESSAVG: 554400 -13.0306 -15.8635 -14.943 -15.8635 -5.99171 -22.3617 -14.9429 -22.3618 -35.6047 GPRESSAVG: 554400 -13.2241 -14.8763 -16.1143 -16.1468 -6.68579 -23.4363 -14.31 -22.7722 -34.5837 TIMING: 554400 CPU: 1651.15, 0.00295912/step Wall: 1651.15, 0.00295912/step, 3.65419 hours remaining, 206.886719 MB of memory in use. ENERGY: 554400 753.5337 2088.1004 1969.4343 120.1406 -206711.9397 18002.0478 0.0000 0.0000 34158.5652 -149620.1177 298.3152 -183778.6829 -149523.3412 297.8736 51.7687 85.0702 557129.4047 -18.2090 -18.1645 PRESSURE: 554600 244.133 251.939 120.265 251.939 -347.774 60.1214 120.265 60.121 279.26 GPRESSURE: 554600 300.897 280.133 23.503 162.546 -329.098 29.4598 104.852 107.693 299.495 PRESSAVG: 554600 62.9007 -41.7953 21.5426 -41.7953 -21.2362 15.0741 21.5426 15.074 -30.6762 GPRESSAVG: 554600 63.3462 -43.1904 19.4546 -40.3375 -20.4847 15.8926 21.4943 17.504 -31.2762 TIMING: 554600 CPU: 1651.73, 0.00292034/step Wall: 1651.73, 0.00292034/step, 3.60613 hours remaining, 206.886719 MB of memory in use. ENERGY: 554600 783.7976 2111.5627 1908.9716 103.6336 -206847.3273 18175.6235 0.0000 0.0000 34207.9794 -149555.7588 298.7468 -183763.7382 -149452.0370 298.5736 58.5396 90.4314 558327.1122 3.6628 3.8618 PRESSURE: 554800 -37.0279 -241.478 -187.991 -241.477 -152.143 -139.722 -187.99 -139.724 -183.611 GPRESSURE: 554800 -22.5613 -194.672 -205.762 -188.467 -72.0029 -52.7022 -161.102 -252.084 -170.555 PRESSAVG: 554800 11.6356 47.0866 -27.1427 47.0865 6.00772 -35.4899 -27.1427 -35.4899 -31.8039 GPRESSAVG: 554800 12.3868 50.3882 -24.1323 45.0391 5.08023 -35.6577 -27.9492 -37.8075 -32.221 TIMING: 554800 CPU: 1652.32, 0.00293499/step Wall: 1652.32, 0.00293499/step, 3.62406 hours remaining, 206.886719 MB of memory in use. ENERGY: 554800 715.3568 2141.9455 1914.2445 113.3409 -206130.7828 17522.3886 0.0000 0.0000 34130.6009 -149592.9056 298.0710 -183723.5065 -149496.0057 298.3816 -124.2603 -88.3729 558302.4957 -4.7202 -4.9180 PRESSURE: 555000 -42.1227 124.283 58.5885 124.283 163.919 -97.7753 58.5896 -97.7748 -43.7419 GPRESSURE: 555000 44.0373 142.481 -29.8545 59.3878 181.06 -159.725 23.3258 -45.6795 -44.7268 PRESSAVG: 555000 -10.1402 20.5156 45.3551 20.5156 40.6504 -23.978 45.3551 -23.9779 -45.2322 GPRESSAVG: 555000 -10.5601 16.1186 42.9234 23.7096 40.7584 -24.5264 48.8669 -22.9266 -45.2255 TIMING: 555000 CPU: 1652.91, 0.00294685/step Wall: 1652.91, 0.00294685/step, 3.63854 hours remaining, 206.886719 MB of memory in use. ENERGY: 555000 757.0080 2069.5222 1940.2209 111.5591 -206720.7499 18033.3552 0.0000 0.0000 34295.0410 -149514.0434 299.5071 -183809.0844 -149414.6006 298.9659 26.0181 60.1236 555526.6341 -4.9073 -5.0090 PRESSURE: 555200 -82.0051 125.76 -152.749 125.76 28.9824 27.6643 -152.749 27.664 -117.908 GPRESSURE: 555200 -84.5963 40.5094 -147.872 171.256 115.162 5.60019 -195.032 -55.6558 -102.808 PRESSAVG: 555200 1.46574 14.4415 -16.7253 14.4414 7.28602 -14.2261 -16.7252 -14.2261 -23.3169 GPRESSAVG: 555200 1.85717 17.7705 -14.3497 9.90061 8.1768 -15.6068 -18.8421 -14.2125 -24.6085 TIMING: 555200 CPU: 1653.5, 0.00295984/step Wall: 1653.5, 0.00295984/step, 3.65441 hours remaining, 206.886719 MB of memory in use. ENERGY: 555200 759.7703 2113.7705 1915.4152 104.3254 -206075.0487 17628.4583 0.0000 0.0000 34141.8137 -149411.4954 298.1690 -183553.3091 -149311.4920 299.2932 -56.9770 -24.0810 556148.9521 -4.8550 -4.8582 PRESSURE: 555400 -155.493 73.0983 -163.034 73.0973 -133.673 -20.6454 -163.033 -20.6459 -280.613 GPRESSURE: 555400 -117.565 71.8491 -129.138 -42.6617 -143.145 -48.607 -157.218 56.1765 -201.541 PRESSAVG: 555400 10.6847 23.0582 22.1033 23.0583 21.0387 37.3842 22.1034 37.3843 -29.2374 GPRESSAVG: 555400 10.2019 20.0853 22.3921 24.8185 19.576 39.2365 22.1977 36.2531 -26.4937 TIMING: 555400 CPU: 1654.09, 0.00295653/step Wall: 1654.09, 0.00295653/step, 3.65017 hours remaining, 206.886719 MB of memory in use. ENERGY: 555400 733.9923 2126.3567 1933.1277 127.2513 -206200.3173 17609.6223 0.0000 0.0000 34297.0470 -149372.9200 299.5246 -183669.9671 -149276.1501 299.1363 -189.9262 -154.0835 557087.2597 0.8287 1.0947 PRESSURE: 555600 -57.1573 88.2692 -48.9767 88.2687 -5.40531 103.16 -48.9764 103.16 10.7911 GPRESSURE: 555600 21.3735 40.5367 -103.121 214.022 -21.2741 71.5361 -61.4378 63.8584 49.6367 PRESSAVG: 555600 -11.7461 73.0722 12.9662 73.0722 33.1075 33.7526 12.9662 33.7525 -40.5234 GPRESSAVG: 555600 -9.79252 75.0786 12.2456 74.7276 32.7646 33.7378 13.1257 31.8929 -42.5023 TIMING: 555600 CPU: 1654.69, 0.00300091/step Wall: 1654.69, 0.00300091/step, 3.70479 hours remaining, 206.886719 MB of memory in use. ENERGY: 555600 735.1824 2120.1321 1944.8309 113.4616 -206354.6070 17834.1182 0.0000 0.0000 34225.2530 -149381.6287 298.8976 -183606.8818 -149285.6095 299.2025 -17.2572 16.5787 556389.4447 -6.3874 -6.5101 PRESSURE: 555800 45.7485 -133.002 -99.0911 -133.003 -71.9119 -157.137 -99.0912 -157.137 157.523 GPRESSURE: 555800 86.6054 -111.3 -70.2368 -163.672 -39.4907 -149.308 -165.873 -140.582 173.697 PRESSAVG: 555800 6.83325 28.1176 -14.0008 28.1177 -32.8663 -23.21 -14.0008 -23.2101 31.7532 GPRESSAVG: 555800 5.36883 28.1841 -14.8921 26.0887 -31.5597 -24.4404 -12.8308 -22.3599 31.4906 TIMING: 555800 CPU: 1655.29, 0.00299644/step Wall: 1655.29, 0.00299644/step, 3.69911 hours remaining, 206.886719 MB of memory in use. ENERGY: 555800 720.8723 2048.1561 1942.7693 112.3239 -206464.3022 17900.9630 0.0000 0.0000 34235.8719 -149503.3457 298.9904 -183739.2176 -149405.1773 299.5396 43.7864 73.6039 555955.8466 1.9067 1.7666 PRESSURE: 556000 -124.576 54.3468 -224.245 54.3469 -98.7084 167.772 -224.245 167.774 -143.893 GPRESSURE: 556000 -89.4985 128.537 -230.535 87.1107 -91.572 225.08 -179.109 131.683 -93.8532 PRESSAVG: 556000 17.3941 12.707 14.3632 12.707 -12.1029 -11.4792 14.3632 -11.479 -20.9591 GPRESSAVG: 556000 18.7547 12.95 15.452 14.6146 -13.4598 -11.9664 11.9675 -8.79633 -20.9693 TIMING: 556000 CPU: 1655.88, 0.00296457/step Wall: 1655.88, 0.00296457/step, 3.6596 hours remaining, 206.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 556000 741.4545 2048.9781 1897.4944 112.6912 -206198.7422 17691.4056 0.0000 0.0000 34165.5801 -149541.1383 298.3765 -183706.7184 -149438.9109 299.0296 -122.3926 -91.6412 557480.6369 -5.2226 -5.2248 PRESSURE: 556200 -95.1847 -23.9146 -169.998 -23.9152 240.154 -85.1464 -169.999 -85.1467 53.2383 GPRESSURE: 556200 -46.8727 -13.9428 -182.359 -48.3034 239.065 5.92181 -194.402 -92.1032 102.262 PRESSAVG: 556200 -17.957 -31.3382 -43.7898 -31.3383 -3.07516 -12.808 -43.7899 -12.808 6.04649 GPRESSAVG: 556200 -18.3378 -31.8266 -44.4415 -31.3236 -2.66084 -11.2912 -44.61 -13.1528 5.83703 TIMING: 556200 CPU: 1656.48, 0.00299046/step Wall: 1656.48, 0.00299046/step, 3.69139 hours remaining, 206.886719 MB of memory in use. ENERGY: 556200 729.0647 2093.4789 1911.1663 108.3776 -206230.1143 17727.5982 0.0000 0.0000 34120.5155 -149539.9131 297.9829 -183660.4286 -149437.5523 298.7509 66.0693 98.1515 555343.4724 -4.9952 -5.0539 LDB: ============= START OF LOAD BALANCING ============== 1660.03 LDB: ============== END OF LOAD BALANCING =============== 1660.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1660.03 LDB: ============= START OF LOAD BALANCING ============== 1660.33 LDB: Largest compute 4796 load 0.030732 is 26.0% of average load 0.117993 LDB: Average compute 0.001736 is 1.5% of average load 0.117993 LDB: TIME 1660.33 LOAD: AVG 0.117993 MAX 0.203831 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.453 MB LDB: TIME 1660.33 LOAD: AVG 0.117993 MAX 0.203831 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.457 MB LDB: TIME 1660.33 LOAD: AVG 0.117993 MAX 0.203831 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.457 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1660.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1660.34 PRESSURE: 556400 -69.6683 57.9971 -48.5769 57.9964 -238.748 -2.03043 -48.5777 -2.03158 -143.917 GPRESSURE: 556400 -85.6588 13.4947 -97.3523 164.826 -143.407 22.8277 -36.5926 -38.0749 -117.228 PRESSAVG: 556400 22.0507 -30.0074 -63.4858 -30.0075 -59.1349 -7.21541 -63.4857 -7.21548 24.6261 GPRESSAVG: 556400 21.6844 -31.2843 -62.3996 -30.5346 -57.8598 -7.00167 -64.0455 -7.70782 24.1409 TIMING: 556400 CPU: 1657.09, 0.00304934/step Wall: 1657.09, 0.00304934/step, 3.7639 hours remaining, 207.964844 MB of memory in use. ENERGY: 556400 726.8648 2083.0463 1908.6516 100.0970 -205884.6085 17557.1907 0.0000 0.0000 33902.6287 -149606.1293 296.0801 -183508.7581 -149508.5401 298.2609 -150.7778 -115.4313 557777.6509 -4.1527 -4.0115 PRESSURE: 556600 -118.846 -20.6738 14.3932 -20.6736 -239.698 27.5806 14.3928 27.5802 26.6642 GPRESSURE: 556600 -78.4124 -59.0127 -30.6169 15.0814 -208.987 58.3842 22.9939 17.519 57.5079 PRESSAVG: 556600 -1.76234 11.8363 -42.2627 11.8362 -6.93183 -45.422 -42.2627 -45.422 42.4793 GPRESSAVG: 556600 -1.36707 14.0775 -42.8617 12.0865 -8.68599 -46.3589 -39.5154 -44.0361 43.4189 TIMING: 556600 CPU: 1657.69, 0.00299262/step Wall: 1657.69, 0.00299262/step, 3.69373 hours remaining, 207.964844 MB of memory in use. ENERGY: 556600 729.8451 2063.8749 1933.8592 106.8493 -205880.5405 17525.0094 0.0000 0.0000 34054.6705 -149466.4320 297.4079 -183521.1026 -149376.3106 298.4116 -110.6266 -76.6306 557522.4095 11.2617 11.1219 PRESSURE: 556800 -95.8508 -2.96938 -16.2763 -2.9692 -242.131 -187.981 -16.2775 -187.981 112.599 GPRESSURE: 556800 -34.8458 -38.1606 -54.2838 -1.86506 -195.895 -186.034 -3.65575 -176.043 103.957 PRESSAVG: 556800 -45.2143 -12.2971 -21.8707 -12.2971 -1.17418 -1.94248 -21.8706 -1.94241 14.6974 GPRESSAVG: 556800 -45.8174 -13.3838 -22.6778 -11.1206 0.0483748 -2.62272 -22.7861 -3.31253 14.2258 TIMING: 556800 CPU: 1658.29, 0.00299262/step Wall: 1658.29, 0.00299262/step, 3.69356 hours remaining, 207.964844 MB of memory in use. ENERGY: 556800 777.3346 2114.6346 1910.1701 121.5191 -206133.8000 17754.2725 0.0000 0.0000 34177.8896 -149277.9796 298.4840 -183455.8692 -149179.4827 298.7574 -75.1276 -42.2613 558260.3700 -10.5637 -10.5144 PRESSURE: 557000 89.7391 12.0066 -106.12 12.0061 45.9345 -83.1921 -106.12 -83.1918 -47.4028 GPRESSURE: 557000 95.7689 57.6434 -24.2681 19.3486 98.6902 -115.923 -122.559 -136.989 -9.47642 PRESSAVG: 557000 31.2449 -16.8666 -40.8207 -16.8667 13.8475 -23.0775 -40.8207 -23.0774 -53.4231 GPRESSAVG: 557000 31.3855 -15.7043 -38.5126 -17.55 12.1282 -19.349 -42.2812 -24.0717 -52.1436 TIMING: 557000 CPU: 1658.88, 0.00295829/step Wall: 1658.88, 0.00295829/step, 3.65103 hours remaining, 207.964844 MB of memory in use. ENERGY: 557000 736.2718 2095.3891 1919.6257 111.7000 -206445.4661 17839.3215 0.0000 0.0000 34344.8027 -149398.3554 299.9417 -183743.1581 -149302.6753 298.9521 29.4236 61.6609 557101.7882 -2.7769 -2.8766 PRESSURE: 557200 273.72 74.1785 -69.8563 74.178 265.632 -83.3432 -69.8551 -83.3433 -113.347 GPRESSURE: 557200 294.722 57.5247 45.9468 104.774 291.302 -36.0445 -178.849 -89.5917 -61.7614 PRESSAVG: 557200 -13.667 -4.45583 -29.8544 -4.45581 49.1891 -27.2558 -29.8544 -27.2558 -19.1526 GPRESSAVG: 557200 -13.9514 -6.79036 -30.1581 -5.33146 50.5231 -29.6289 -30.5938 -25.5969 -19.9826 TIMING: 557200 CPU: 1659.47, 0.00295973/step Wall: 1659.47, 0.00295973/step, 3.65263 hours remaining, 207.964844 MB of memory in use. ENERGY: 557200 750.1954 2055.3261 1909.3400 102.1272 -206427.2225 18045.4841 0.0000 0.0000 34073.9735 -149490.7761 297.5765 -183564.7496 -149397.3663 298.2731 142.0017 174.7545 556509.0561 5.4565 5.5297 PRESSURE: 557400 -7.42985 -55.8019 -122.526 -55.8028 28.5043 -228.28 -122.526 -228.281 201.078 GPRESSURE: 557400 32.5474 -110.333 -62.3398 14.9602 52.3528 -278.031 -196.16 -191.309 243.5 PRESSAVG: 557400 45.6353 29.3088 -20.4307 29.3089 39.4302 -11.27 -20.4307 -11.2701 -62.947 GPRESSAVG: 557400 46.6155 30.481 -21.3124 31.3418 39.1105 -11.6287 -16.9072 -10.4176 -63.0909 TIMING: 557400 CPU: 1660.06, 0.00295945/step Wall: 1660.06, 0.00295945/step, 3.65212 hours remaining, 207.964844 MB of memory in use. ENERGY: 557400 765.4652 2018.8445 1929.3906 126.3888 -206305.9854 17843.4555 0.0000 0.0000 34189.7271 -149432.7137 298.5874 -183622.4408 -149332.1424 299.1141 74.0508 109.4669 555655.6326 7.3729 7.5450 PRESSURE: 557600 -180.07 38.9902 39.2624 38.9893 -183.287 -70.7253 39.2624 -70.7264 -188.102 GPRESSURE: 557600 -113.297 20.4552 59.6306 46.4091 -158.232 -68.0465 55.7085 -35.7243 -179.068 PRESSAVG: 557600 -28.2722 -41.701 37.3964 -41.701 3.86233 -19.3623 37.3964 -19.3623 -31.3849 GPRESSAVG: 557600 -28.0777 -40.6927 37.3549 -45.0488 2.51745 -18.3691 36.3024 -20.8669 -29.6415 TIMING: 557600 CPU: 1660.66, 0.00297804/step Wall: 1660.66, 0.00297804/step, 3.6749 hours remaining, 207.964844 MB of memory in use. ENERGY: 557600 731.3466 2084.0624 1923.9910 112.2608 -206179.1840 17667.4525 0.0000 0.0000 34360.8516 -149299.2191 300.0819 -183660.0707 -149195.2940 299.5686 -183.8195 -150.1990 557733.6763 -18.5983 -18.4006 PRESSURE: 557800 83.274 -61.4923 -176.807 -61.4923 246.13 -182.721 -176.807 -182.721 -224.394 GPRESSURE: 557800 122.513 -8.42778 -105.141 -30.1522 275.276 -56.6671 -174.883 -202.33 -175.63 PRESSAVG: 557800 -5.08034 23.1343 -4.0309 23.1342 4.41796 14.7945 -4.03077 14.7945 -25.2145 GPRESSAVG: 557800 -5.9758 23.4741 -2.69611 22.4142 6.25311 15.3766 -5.14344 15.8135 -26.8022 TIMING: 557800 CPU: 1661.25, 0.00296322/step Wall: 1661.25, 0.00296322/step, 3.65644 hours remaining, 207.964844 MB of memory in use. ENERGY: 557800 734.2329 2088.8882 1916.3837 114.6164 -206524.6530 17979.4071 0.0000 0.0000 34386.4791 -149304.6456 300.3057 -183691.1247 -149206.9954 299.4985 35.0033 74.0529 555816.6652 -8.6256 -8.8416 PRESSURE: 558000 -206.113 32.0033 144.541 32.0032 -0.328563 19.3231 144.541 19.3229 19.6825 GPRESSURE: 558000 -150.654 17.543 94.5199 92.8278 59.0561 -50.7917 163.67 26.0983 6.85823 PRESSAVG: 558000 -6.30718 -24.6102 28.6733 -24.6102 28.909 -30.0115 28.6732 -30.0114 -30.3778 GPRESSAVG: 558000 -5.35976 -23.8786 28.9841 -22.3027 27.7312 -30.8768 28.9656 -30.1161 -30.1277 TIMING: 558000 CPU: 1661.84, 0.00296896/step Wall: 1661.84, 0.00296896/step, 3.66337 hours remaining, 207.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 558000 787.6300 2093.1591 1938.9982 112.5154 -206282.4102 17794.2670 0.0000 0.0000 34285.7795 -149270.0610 299.4262 -183555.8405 -149173.0991 299.3613 -62.2532 -28.2466 556894.9251 -2.5920 -2.5854 PRESSURE: 558200 -102.948 34.3488 -36.0368 34.349 -97.1543 15.9922 -36.0372 15.9929 -135.29 GPRESSURE: 558200 -68.9732 44.6083 31.3395 43.2026 -69.5884 -78.56 -7.0099 -25.7895 -105.823 PRESSAVG: 558200 21.1404 20.7174 23.8078 20.7174 20.1178 -22.4138 23.8078 -22.4137 -37.637 GPRESSAVG: 558200 20.8857 20.0765 21.9919 20.905 20.8948 -24.9835 23.5752 -21.116 -38.1197 TIMING: 558200 CPU: 1662.43, 0.00294992/step Wall: 1662.43, 0.00294992/step, 3.63972 hours remaining, 207.964844 MB of memory in use. ENERGY: 558200 713.8960 2117.2845 1925.8926 106.1352 -206219.3708 17746.9046 0.0000 0.0000 34260.4734 -149348.7846 299.2052 -183609.2580 -149247.7127 299.2808 -111.7973 -81.4614 557820.4756 1.2071 1.2203 PRESSURE: 558400 -168.351 -19.7875 -26.4145 -19.7882 -211.591 -53.8167 -26.4135 -53.8164 -102.168 GPRESSURE: 558400 -146.511 -27.5644 -79.0334 -35.1831 -201.073 -51.3897 -23.9059 -43.6416 -36.6745 PRESSAVG: 558400 29.2942 21.9658 18.769 21.9659 -11.2671 11.6489 18.769 11.6488 12.4394 GPRESSAVG: 558400 29.8087 21.6237 20.4522 21.2108 -11.6058 12.9543 19.6193 11.0485 11.8665 TIMING: 558400 CPU: 1663.03, 0.0029756/step Wall: 1663.03, 0.0029756/step, 3.67123 hours remaining, 207.964844 MB of memory in use. ENERGY: 558400 734.5290 2034.3213 1900.3562 111.7857 -205774.6472 17603.6973 0.0000 0.0000 33976.3501 -149413.6075 296.7239 -183389.9576 -149316.4148 298.9345 -160.7030 -128.0861 557876.5900 10.1555 10.0231 PRESSURE: 558600 -22.5967 0.399082 116.098 0.399788 -150.514 117.818 116.099 117.817 -45.704 GPRESSURE: 558600 27.838 -16.467 93.7044 -14.5561 -107.929 62.9782 153.576 73.8991 -31.5169 PRESSAVG: 558600 55.5369 16.9799 18.0098 16.9799 -8.61475 87.853 18.0098 87.8529 -58.5302 GPRESSAVG: 558600 54.0049 15.1757 17.9724 17.7597 -7.88564 89.2962 16.7475 87.0246 -58.1038 TIMING: 558600 CPU: 1663.62, 0.00295321/step Wall: 1663.62, 0.00295321/step, 3.64344 hours remaining, 207.964844 MB of memory in use. ENERGY: 558600 782.3171 2075.5463 1932.5124 99.7552 -206421.6585 17876.1027 0.0000 0.0000 34142.0658 -149513.3590 298.1712 -183655.4248 -149419.0820 298.6998 -72.9384 -37.2025 557671.6604 -3.8693 -3.9948 PRESSURE: 558800 -133.217 110.276 99.9569 110.276 -90.8672 167.275 99.9559 167.274 -170.829 GPRESSURE: 558800 -119.833 71.4002 88.0847 113.878 -42.8896 126.912 66.7421 169.616 -128.579 PRESSAVG: 558800 47.7348 -59.8044 -22.6482 -59.8044 -8.06358 14.212 -22.6482 14.2121 -26.8921 GPRESSAVG: 558800 48.426 -59.1764 -23.419 -62.1626 -8.83854 16.5201 -20.9899 11.658 -27.0089 TIMING: 558800 CPU: 1664.21, 0.00296177/step Wall: 1664.21, 0.00296177/step, 3.65384 hours remaining, 207.964844 MB of memory in use. ENERGY: 558800 774.1150 2072.6888 1910.3480 126.4770 -206551.4834 17980.3821 0.0000 0.0000 34216.9358 -149470.5366 298.8250 -183687.4725 -149369.6982 299.1767 -131.6377 -97.1006 557229.7239 4.2597 4.1928 PRESSURE: 559000 -218.693 132.816 81.5195 132.816 -77.7929 -79.9515 81.5204 -79.9505 -258.779 GPRESSURE: 559000 -187.924 102.278 105.626 138.132 -77.653 -12.5686 22.8231 -138.683 -200.523 PRESSAVG: 559000 16.8046 2.87132 -80.2139 2.87132 14.9311 -2.10903 -80.2138 -2.10901 -38.8732 GPRESSAVG: 559000 14.9042 4.39123 -77.8899 4.41264 15.8741 -4.11076 -82.2154 0.368691 -38.0753 TIMING: 559000 CPU: 1664.8, 0.00296292/step Wall: 1664.8, 0.00296292/step, 3.65509 hours remaining, 207.964844 MB of memory in use. ENERGY: 559000 753.7244 2083.9945 1917.3117 113.7734 -206354.9079 17676.4919 0.0000 0.0000 34485.6085 -149324.0035 301.1714 -183809.6120 -149227.5536 299.4867 -185.0884 -155.3667 557755.5059 -2.3792 -2.4324 PRESSURE: 559200 -395.484 -12.3347 -102.293 -12.3347 -96.3683 58.1777 -102.292 58.1784 -405.201 GPRESSURE: 559200 -340.722 -111.086 -99.8362 -46.3121 -61.4451 74.1666 -83.2479 25.5214 -394.004 PRESSAVG: 559200 105.517 -3.22729 27.5775 -3.22738 -18.2754 26.7846 27.5776 26.7845 -43.4838 GPRESSAVG: 559200 107.24 -4.77116 25.7716 -4.15774 -19.0928 27.6444 29.111 25.5185 -44.1835 TIMING: 559200 CPU: 1665.39, 0.00294586/step Wall: 1665.39, 0.00294586/step, 3.63388 hours remaining, 207.964844 MB of memory in use. ENERGY: 559200 772.5843 2093.8107 1914.1480 102.5957 -205815.0188 17337.5633 0.0000 0.0000 34408.4937 -149185.8231 300.4979 -183594.3168 -149091.0558 299.7669 -299.0177 -265.3905 557786.7421 14.5860 14.6546 PRESSURE: 559400 -58.7204 40.4121 29.7359 40.4127 -65.4296 -62.759 29.7358 -62.7602 -173.877 GPRESSURE: 559400 -50.8852 112.08 -27.7745 43.8277 10.1832 -1.16101 -12.1739 -98.0764 -150.335 PRESSAVG: 559400 39.4211 23.2038 30.5058 23.2038 5.80553 -14.0734 30.5059 -14.0733 -45.6557 GPRESSAVG: 559400 38.8477 23.8254 29.6079 24.2292 5.77516 -15.2548 32.3916 -13.7624 -45.0229 TIMING: 559400 CPU: 1665.98, 0.00294247/step Wall: 1665.98, 0.00294247/step, 3.62954 hours remaining, 207.964844 MB of memory in use. ENERGY: 559400 754.8018 2068.2677 1941.9770 110.3135 -206090.6746 17726.0046 0.0000 0.0000 34283.9062 -149205.4038 299.4099 -183489.3101 -149103.7779 299.7609 -99.3425 -63.6790 556871.7493 -0.1430 -0.1333 PRESSURE: 559600 -79.0206 31.3903 -220.607 31.3902 -128.426 75.3395 -220.607 75.339 13.9716 GPRESSURE: 559600 -43.4903 82.3937 -170.852 -8.05065 -80.3478 33.8499 -221.089 73.3059 31.1529 PRESSAVG: 559600 15.5622 4.76811 -1.30152 4.7681 -55.9237 6.53352 -1.30146 6.53359 57.3934 GPRESSAVG: 559600 16.0276 4.98304 0.0864717 5.38795 -56.757 7.54032 -3.92881 6.97491 57.6542 TIMING: 559600 CPU: 1666.58, 0.00296958/step Wall: 1666.58, 0.00296958/step, 3.66281 hours remaining, 207.964844 MB of memory in use. ENERGY: 559600 738.1204 2077.9217 1913.3436 115.5623 -205903.0039 17777.4173 0.0000 0.0000 34126.4764 -149154.1621 298.0350 -183280.6385 -149069.2078 299.9046 -64.4916 -30.8951 556481.4027 5.6773 5.6416 PRESSURE: 559800 -174.22 -36.4925 94.903 -36.4914 -163.868 -245.893 94.9031 -245.894 -137.694 GPRESSURE: 559800 -171.21 -25.2497 13.9817 -104.012 -105.351 -217.675 196.093 -247.466 -87.1726 PRESSAVG: 559800 -11.0914 -33.625 -0.541337 -33.625 23.7242 6.97417 -0.54128 6.9741 31.1079 GPRESSAVG: 559800 -10.2961 -35.3886 0.319617 -35.6306 23.6832 5.94278 0.309202 7.96443 30.813 TIMING: 559800 CPU: 1667.17, 0.00296905/step Wall: 1667.17, 0.00296905/step, 3.66199 hours remaining, 207.964844 MB of memory in use. ENERGY: 559800 750.4473 2009.9303 1922.0623 113.3095 -205680.4969 17589.8315 0.0000 0.0000 34147.1518 -149147.7642 298.2156 -183294.9160 -149049.8028 299.6817 -158.5940 -121.2446 558248.1759 14.5802 14.7334 PRESSURE: 560000 148.284 -100.023 153.494 -100.024 -196.915 -26.3592 153.493 -26.3574 45.1418 GPRESSURE: 560000 107.52 -95.8681 142.103 -133.415 -100.055 -32.6109 106.488 37.4564 79.3124 PRESSAVG: 560000 30.1482 11.9874 100.664 11.9874 -58.0332 -13.6784 100.664 -13.6785 25.6537 GPRESSAVG: 560000 28.4612 11.2565 95.8054 14.4272 -57.0211 -12.9317 103.571 -15.6536 26.3264 TIMING: 560000 CPU: 1667.76, 0.00296141/step Wall: 1667.76, 0.00296141/step, 3.65241 hours remaining, 207.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 560000 779.6641 2067.2507 1934.1305 105.4737 -206189.5315 17922.4844 0.0000 0.0000 34443.1802 -148937.3479 300.8009 -183380.5280 -148843.5012 299.5372 -1.1631 28.9258 557067.9900 -0.7438 -0.7445 PRESSURE: 560200 30.5484 -149.189 -58.6172 -149.189 110.204 -47.2325 -58.6167 -47.2329 124.11 GPRESSURE: 560200 74.6017 -170.472 -92.4428 -152.077 144.748 -29.6527 -176.396 -80.9249 139.726 PRESSAVG: 560200 -56.4683 -15.8594 39.5169 -15.8595 3.95758 -44.4053 39.5169 -44.4053 42.3372 GPRESSAVG: 560200 -55.9317 -14.4996 44.4783 -18.7406 3.51652 -45 36.8866 -43.8077 42.1597 TIMING: 560200 CPU: 1668.35, 0.00294644/step Wall: 1668.35, 0.00294644/step, 3.63378 hours remaining, 207.964844 MB of memory in use. ENERGY: 560200 732.3157 2097.2005 1910.9529 101.6790 -206021.0149 17675.7355 0.0000 0.0000 34482.7139 -149020.4174 301.1461 -183503.1313 -148926.2693 299.8314 88.2874 119.6919 556251.1498 -3.3912 -3.4185 LDB: ============= START OF LOAD BALANCING ============== 1671.9 LDB: ============== END OF LOAD BALANCING =============== 1671.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1671.9 LDB: ============= START OF LOAD BALANCING ============== 1672.19 LDB: Largest compute 4796 load 0.031211 is 26.4% of average load 0.118027 LDB: Average compute 0.001739 is 1.5% of average load 0.118027 LDB: TIME 1672.2 LOAD: AVG 0.118027 MAX 0.20347 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.484 MB LDB: TIME 1672.2 LOAD: AVG 0.118027 MAX 0.20347 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.488 MB LDB: TIME 1672.2 LOAD: AVG 0.118027 MAX 0.20347 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.488 MB LDB: ============== END OF LOAD BALANCING =============== 1672.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1672.2 PRESSURE: 560400 -44.3439 18.3787 109.395 18.3788 -278.197 235.804 109.396 235.804 -10.2567 GPRESSURE: 560400 -11.8561 -5.87746 97.2435 -6.46614 -263.109 268.681 183.395 202.217 47.3809 PRESSAVG: 560400 -29.1706 -64.4945 12.9995 -64.4944 18.6929 15.0726 12.9995 15.0727 -25.4865 GPRESSAVG: 560400 -30.0138 -63.6644 10.5895 -63.5194 18.4258 14.2358 12.989 15.524 -24.3104 TIMING: 560400 CPU: 1668.95, 0.00300504/step Wall: 1668.95, 0.00300504/step, 3.70589 hours remaining, 205.972656 MB of memory in use. ENERGY: 560400 758.9934 2060.4679 1912.5632 104.4079 -205574.5665 17528.0337 0.0000 0.0000 34341.9408 -148868.1596 299.9167 -183210.1004 -148775.7524 300.2927 -110.9327 -75.8613 557046.6048 -11.9881 -11.9661 PRESSURE: 560600 -146.352 -157.772 109.385 -157.774 -144.538 -107.38 109.385 -107.38 -201.437 GPRESSURE: 560600 -199.904 -151.637 216.453 -209.482 -31.2457 -166.181 83.2418 18.4874 -142.209 PRESSAVG: 560600 -29.9895 -46.9965 36.3053 -46.9966 53.7805 -1.91485 36.3054 -1.91477 -12.0747 GPRESSAVG: 560600 -29.3423 -46.5929 36.319 -46.8572 54.8875 -0.414455 36.512 -1.70021 -14.1799 TIMING: 560600 CPU: 1669.55, 0.00297301/step Wall: 1669.55, 0.00297301/step, 3.66622 hours remaining, 205.972656 MB of memory in use. ENERGY: 560600 758.2326 2053.0907 1917.5527 112.0519 -205956.6482 17700.5744 0.0000 0.0000 34601.6799 -148813.4661 302.1851 -183415.1460 -148718.7702 301.1531 -164.1087 -124.4530 558375.2248 3.9054 3.7885 PRESSURE: 560800 -35.9922 -280.442 86.174 -280.442 -197.142 105.756 86.1749 105.755 -184.441 GPRESSURE: 560800 -21.8138 -276.507 75.2123 -174.897 -183.726 25.1355 64.3723 83.3092 -121.001 PRESSAVG: 560800 51.1256 -49.0389 62.5153 -49.039 -45.5936 18.7959 62.5155 18.7959 24.6786 GPRESSAVG: 560800 51.5795 -49.5784 63.0309 -47.4819 -48.0207 19.7979 63.3875 19.3399 25.5514 TIMING: 560800 CPU: 1670.14, 0.00297121/step Wall: 1670.14, 0.00297121/step, 3.66383 hours remaining, 205.972656 MB of memory in use. ENERGY: 560800 740.2403 2079.8843 1896.7667 112.9178 -205425.1986 17380.9170 0.0000 0.0000 34343.0927 -148871.3799 299.9268 -183214.4726 -148763.7580 301.5245 -139.1918 -108.8471 558698.4436 10.0702 9.7034 PRESSURE: 561000 255.383 -108.538 178.152 -108.54 -48.0503 -105.967 178.152 -105.965 49.9917 GPRESSURE: 561000 277.165 -121.564 148.476 -146.056 -25.2566 -72.0646 149.895 -71.9668 102.237 PRESSAVG: 561000 6.4414 -34.4505 8.42803 -34.4504 -0.241639 -18.5069 8.42806 -18.5068 -10.8442 GPRESSAVG: 561000 4.88838 -37.1773 7.97446 -34.0712 1.37531 -18.4678 9.1109 -19.161 -10.6481 TIMING: 561000 CPU: 1670.73, 0.00296692/step Wall: 1670.73, 0.00296692/step, 3.65838 hours remaining, 205.972656 MB of memory in use. ENERGY: 561000 710.4674 2128.4887 1969.8915 119.0034 -205922.5812 17784.5171 0.0000 0.0000 34352.0510 -148858.1623 300.0050 -183210.2132 -148755.2191 300.3264 85.7747 118.0484 558437.7936 -1.5482 -1.4615 PRESSURE: 561200 102.811 -2.37608 -94.7091 -2.37615 -172.967 -11.2134 -94.7105 -11.2116 27.1356 GPRESSURE: 561200 58.3035 -36.7169 -16.9193 26.729 -109.719 -33.1725 -132.904 17.0609 108.949 PRESSAVG: 561200 56.1463 11.9766 -10.7945 11.9765 -62.1061 40.7279 -10.7946 40.7278 44.5202 GPRESSAVG: 561200 56.3326 13.1822 -11.0093 10.5978 -61.9966 41.2032 -12.635 40.9856 45.2895 TIMING: 561200 CPU: 1671.33, 0.00296111/step Wall: 1671.33, 0.00296111/step, 3.65105 hours remaining, 205.972656 MB of memory in use. ENERGY: 561200 713.0745 2117.5986 1936.6071 106.9605 -205963.9027 17786.7315 0.0000 0.0000 34490.7755 -148812.1549 301.2165 -183302.9305 -148716.3410 300.1395 -14.3402 19.1779 559116.8366 12.8535 13.2085 PRESSURE: 561400 -55.1707 -59.4187 23.8792 -59.4188 50.8214 -145.595 23.8784 -145.595 -54.6524 GPRESSURE: 561400 -27.3552 -53.0783 -9.72163 -101.302 73.8797 -145.71 14.9479 -85.3716 -24.4311 PRESSAVG: 561400 -55.8394 14.4118 -61.6906 14.4119 9.64837 -11.9258 -61.6906 -11.9257 3.53868 GPRESSAVG: 561400 -55.3835 15.8774 -60.2606 13.7815 10.4859 -11.7229 -59.659 -12.8951 2.86726 TIMING: 561400 CPU: 1671.92, 0.00297323/step Wall: 1671.92, 0.00297323/step, 3.66583 hours remaining, 205.972656 MB of memory in use. ENERGY: 561400 759.6102 2114.9262 1897.2389 117.7327 -206081.7410 17847.8050 0.0000 0.0000 34485.7999 -148858.6281 301.1731 -183344.4280 -148763.1932 300.5137 -19.6672 7.3645 557644.2982 -14.2175 -14.0101 PRESSURE: 561600 74.6283 -98.3318 -115.832 -98.3314 -11.0694 -136.685 -115.831 -136.684 113.871 GPRESSURE: 561600 92.5163 -68.745 -75.4432 -100.882 22.6168 -210.488 -99.5487 -150.822 154.721 PRESSAVG: 561600 -6.31128 7.87594 -11.7154 7.87594 17.9559 -58.6151 -11.7154 -58.615 -4.06243 GPRESSAVG: 561600 -5.89635 8.75079 -11.1817 8.14129 17.3779 -60.2012 -13.7407 -56.771 -3.24189 TIMING: 561600 CPU: 1672.52, 0.00298581/step Wall: 1672.52, 0.00298581/step, 3.68117 hours remaining, 205.972656 MB of memory in use. ENERGY: 561600 725.0897 2059.7568 1920.1558 112.4160 -205999.0976 17727.8339 0.0000 0.0000 34605.6819 -148848.1634 302.2200 -183453.8453 -148749.5407 300.4276 59.1434 89.9515 557778.7347 2.5274 2.7466 PRESSURE: 561800 -35.2748 56.1799 -15.857 56.1798 -399.234 97.1206 -15.8585 97.1197 -229.348 GPRESSURE: 561800 -95.7614 22.6151 -31.9553 114.588 -313.914 157.48 -5.91256 94.9655 -146.721 PRESSAVG: 561800 -24.0263 -0.11299 56.7309 -0.112928 20.3601 35.8825 56.731 35.8825 -13.2764 GPRESSAVG: 561800 -23.7545 -2.36172 54.2345 3.05302 20.5412 37.4913 57.9083 34.7939 -14.0358 TIMING: 561800 CPU: 1673.12, 0.00298847/step Wall: 1673.12, 0.00298847/step, 3.68428 hours remaining, 205.972656 MB of memory in use. ENERGY: 561800 772.6357 2155.1504 1941.1007 111.1791 -205498.8097 17408.3670 0.0000 0.0000 34381.1106 -148729.2661 300.2588 -183110.3767 -148628.7863 301.3213 -221.2856 -185.4655 558839.2055 -5.6475 -5.7497 PRESSURE: 562000 -56.0534 -61.5465 -22.6596 -61.5449 18.0488 -51.5842 -22.6594 -51.5833 226.675 GPRESSURE: 562000 -21.5795 -59.8311 -52.0898 -51.86 47.3585 -9.73387 28.9213 -33.1354 256.425 PRESSAVG: 562000 -29.9769 42.699 -21.2884 42.6991 -45.8414 -21.7081 -21.2884 -21.7082 51.7162 GPRESSAVG: 562000 -30.4729 44.5226 -19.0213 40.3534 -45.7263 -23.887 -22.5941 -21.052 52.1034 TIMING: 562000 CPU: 1673.71, 0.00298633/step Wall: 1673.71, 0.00298633/step, 3.68148 hours remaining, 205.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 562000 720.7769 2096.1116 1927.6961 110.2027 -205840.7165 17809.1219 0.0000 0.0000 34207.2820 -148969.5254 298.7407 -183176.8073 -148873.6244 300.5062 62.8901 94.0681 559238.2087 -8.0340 -8.0319 PRESSURE: 562200 197.623 -59.1662 91.8309 -59.165 -455.416 -27.3307 91.8303 -27.3308 -98.4218 GPRESSURE: 562200 186.074 -66.3996 60.9202 -24.65 -435.54 -85.7432 193.216 54.9348 -8.33841 PRESSAVG: 562200 -1.77729 -0.350817 -15.5001 -0.35081 -29.3433 19.4534 -15.5 19.4536 77.6743 GPRESSAVG: 562200 -2.36052 -1.43512 -16.3418 -0.129918 -28.9764 19.8174 -15.4692 20.5147 77.7734 TIMING: 562200 CPU: 1674.31, 0.00296767/step Wall: 1674.31, 0.00296767/step, 3.65832 hours remaining, 205.972656 MB of memory in use. ENERGY: 562200 753.1646 2099.1839 1899.4068 119.6176 -205960.3979 17748.8261 0.0000 0.0000 34316.8339 -149023.3649 299.6974 -183340.1988 -148921.7899 300.0767 -118.7383 -85.9347 559390.3275 15.5179 15.4788 PRESSURE: 562400 120.23 90.9242 -78.5304 90.9244 126.567 61.4722 -78.5325 61.4705 190.817 GPRESSURE: 562400 186.593 82.4443 -68.5616 73.7077 55.6656 127.446 -60.5303 131.888 296.798 PRESSAVG: 562400 46.5466 -18.1155 2.06586 -18.1155 -18.4177 47.5011 2.06586 47.5013 -60.3319 GPRESSAVG: 562400 46.5164 -15.4222 4.78476 -19.2263 -18.6611 48.8568 1.75288 47.1246 -59.853 TIMING: 562400 CPU: 1674.9, 0.00296633/step Wall: 1674.9, 0.00296633/step, 3.65649 hours remaining, 205.972656 MB of memory in use. ENERGY: 562400 733.9543 2088.3468 1922.8305 117.6621 -206189.8025 17924.7809 0.0000 0.0000 34316.7418 -149085.4860 299.6966 -183402.2278 -148994.4343 299.5547 145.8712 179.6854 556470.6740 -10.7343 -10.6659 PRESSURE: 562600 41.547 105.291 58.5911 105.292 -225.024 -77.1428 58.5898 -77.1427 97.0951 GPRESSURE: 562600 79.4797 6.30972 46.8141 228.816 -148.051 -60.7254 47.5974 -97.9505 92.5309 PRESSAVG: 562600 12.9025 18.7731 34.6944 18.7732 51.859 4.51503 34.6945 4.515 -57.39 GPRESSAVG: 562600 14.1454 14.6055 30.6699 20.5412 52.6328 4.24905 36.5563 5.32731 -59.2173 TIMING: 562600 CPU: 1675.49, 0.00295746/step Wall: 1675.49, 0.00295746/step, 3.6454 hours remaining, 205.972656 MB of memory in use. ENERGY: 562600 712.3146 2098.7273 1934.9818 113.7819 -206051.4239 17747.1187 0.0000 0.0000 34459.4207 -148985.0788 300.9427 -183444.4995 -148888.6443 300.1455 -28.7941 7.9864 557595.8023 2.4572 2.5203 PRESSURE: 562800 -500.968 -112.731 49.1052 -112.732 -203.911 -121.514 49.1042 -121.514 40.4775 GPRESSURE: 562800 -494.152 -67.4981 23.648 -180.28 -121.587 -91.694 47.9244 -121.411 55.4746 PRESSAVG: 562800 -6.19496 52.4407 -29.8606 52.4407 -80.541 42.9408 -29.8606 42.9408 49.0936 GPRESSAVG: 562800 -6.02014 53.1018 -30.0742 52.7652 -81.5193 41.6685 -30.9434 41.065 50.3214 TIMING: 562800 CPU: 1676.08, 0.00295025/step Wall: 1676.08, 0.00295025/step, 3.63635 hours remaining, 205.972656 MB of memory in use. ENERGY: 562800 767.2581 2068.0422 1949.6798 123.7080 -205697.8725 17502.1957 0.0000 0.0000 34312.2382 -148974.7503 299.6573 -183286.9885 -148873.0159 300.1450 -221.4669 -186.7548 558544.0878 -12.5475 -12.4060 PRESSURE: 563000 -252.436 83.4057 -118.836 83.4069 104.879 30.2762 -118.837 30.2768 113.437 GPRESSURE: 563000 -200.484 77.8258 -137.92 12.6376 106.612 72.231 -120.211 17.483 159.465 PRESSAVG: 563000 -66.3129 -23.7605 -38.7926 -23.7605 7.62602 51.6851 -38.7927 51.6853 69.5378 GPRESSAVG: 563000 -65.5082 -21.5195 -37.8349 -25.6017 7.61382 52.283 -39.4033 53.5553 68.9647 TIMING: 563000 CPU: 1676.68, 0.00298069/step Wall: 1676.68, 0.00298069/step, 3.6737 hours remaining, 205.972656 MB of memory in use. ENERGY: 563000 726.3672 2114.5536 1928.2177 118.9884 -205882.7911 17681.8054 0.0000 0.0000 34483.7510 -148829.1077 301.1552 -183312.8587 -148735.3711 300.5719 -11.3735 21.8645 557891.7632 3.6170 3.6901 PRESSURE: 563200 17.6722 -139.998 -141.667 -139.998 -93.0845 -116.775 -141.667 -116.776 16.8072 GPRESSURE: 563200 56.7493 -156.987 -52.3047 -114.727 -51.6995 -123.898 -174.158 -143.237 37.5963 PRESSAVG: 563200 -31.0983 19.4334 21.92 19.4334 -3.50965 37.7939 21.92 37.7938 14.9002 GPRESSAVG: 563200 -32.4894 16.3627 20.713 20.6934 -4.08476 38.7033 24.0586 33.7721 16.1645 TIMING: 563200 CPU: 1677.28, 0.00300822/step Wall: 1677.28, 0.00300822/step, 3.70746 hours remaining, 205.972656 MB of memory in use. ENERGY: 563200 728.4805 2110.2212 1940.6424 128.0476 -206175.9552 17852.2594 0.0000 0.0000 34590.1736 -148826.1305 302.0846 -183416.3041 -148727.9454 301.1589 -19.5350 14.2154 557670.5203 -6.5693 -6.8032 PRESSURE: 563400 -33.8118 98.6336 83.1661 98.6342 166.681 -43.5353 83.1656 -43.5351 339.214 GPRESSURE: 563400 34.5796 84.8106 13.2568 38.1285 88.9407 -89.1238 153.234 -57.1826 436.782 PRESSAVG: 563400 6.81161 69.7316 35.8329 69.7316 -13.4305 7.86649 35.8329 7.86649 30.9353 GPRESSAVG: 563400 7.52369 71.9039 36.9063 67.7602 -12.7556 8.24881 36.0939 9.99812 29.857 TIMING: 563400 CPU: 1677.88, 0.00301081/step Wall: 1677.88, 0.00301081/step, 3.71049 hours remaining, 205.972656 MB of memory in use. ENERGY: 563400 764.4679 2057.6347 1915.9798 119.4674 -206252.7735 17940.5068 0.0000 0.0000 34506.1913 -148948.5256 301.3512 -183454.7169 -148854.0447 300.7964 157.3611 186.7676 556325.7408 8.1055 8.2084 PRESSURE: 563600 -278.351 -97.3314 5.31748 -97.3326 -14.2511 4.82466 5.3163 4.82562 -16.1564 GPRESSURE: 563600 -167.317 -0.833123 63.3626 -120.264 -14.2997 -10.283 -45.3738 -6.75363 -28.0415 PRESSAVG: 563600 -17.3729 19.4596 40.2543 19.4595 7.49187 27.8734 40.2542 27.8734 3.89381 GPRESSAVG: 563600 -17.6169 19.5681 40.4027 19.9097 6.92074 26.6108 37.5212 26.83 4.73333 TIMING: 563600 CPU: 1678.49, 0.00301642/step Wall: 1678.49, 0.00301642/step, 3.71724 hours remaining, 205.972656 MB of memory in use. ENERGY: 563600 763.1961 2083.8759 1920.2679 115.9766 -205986.1978 17797.5301 0.0000 0.0000 34410.4839 -148894.8673 300.5153 -183305.3513 -148798.0223 300.4837 -102.9196 -69.8861 558620.3851 -1.9957 -1.9876 PRESSURE: 563800 -43.8279 -94.5238 16.8683 -94.5248 -28.5251 147.358 16.8691 147.359 21.2917 GPRESSURE: 563800 -46.1403 -48.4086 -38.2598 -85.5301 69.3634 136.462 38.4838 110.535 33.1156 PRESSAVG: 563800 50.2214 -26.6041 8.12867 -26.6041 71.5788 19.4039 8.12863 19.4038 -83.2584 GPRESSAVG: 563800 50.5086 -25.8295 9.09869 -26.349 71.73 20.6429 11.6643 18.5589 -83.8654 TIMING: 563800 CPU: 1679.08, 0.00299086/step Wall: 1679.08, 0.00299086/step, 3.68556 hours remaining, 205.972656 MB of memory in use. ENERGY: 563800 776.2867 2098.3543 1931.0296 116.1819 -206256.6281 17849.6095 0.0000 0.0000 34546.0053 -148939.1608 301.6989 -183485.1660 -148840.7445 300.5418 -17.0204 18.7796 557835.5206 12.8473 12.7911 PRESSURE: 564000 -121.146 -150.985 -54.6228 -150.985 -224.899 -130.938 -54.6242 -130.938 -121.131 GPRESSURE: 564000 -77.1811 -203.016 -163.589 -116.32 -156.87 -132.465 6.19568 -111.551 -129.694 PRESSAVG: 564000 37.1137 -20.3554 -4.15724 -20.3554 -8.58408 3.81243 -4.15733 3.81247 -35.5463 GPRESSAVG: 564000 36.3604 -21.1704 -4.88292 -20.7383 -7.6225 2.71091 -6.67135 6.97702 -35.6749 TIMING: 564000 CPU: 1679.68, 0.00298302/step Wall: 1679.68, 0.00298302/step, 3.67575 hours remaining, 205.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 564000 763.6798 2111.4438 1933.9807 131.9391 -206159.6463 17795.6559 0.0000 0.0000 34257.1691 -149165.7779 299.1764 -183422.9470 -149073.8317 300.3811 -155.7252 -121.2481 559660.1416 -2.3389 -2.3123 PRESSURE: 564200 -160.245 -132.883 -276.472 -132.884 -76.4095 30.9127 -276.473 30.9132 66.508 GPRESSURE: 564200 -190.067 -163.792 -266.734 -112.127 -26.54 48.8832 -198.824 19.785 127.272 PRESSAVG: 564200 22.6079 -3.00104 9.41503 -3.00101 22.2365 -15.0087 9.41504 -15.0087 -33.5793 GPRESSAVG: 564200 22.4018 -4.25118 11.4323 -0.491871 21.9534 -14.5473 9.33296 -15.5963 -32.8443 TIMING: 564200 CPU: 1680.28, 0.00298863/step Wall: 1680.28, 0.00298863/step, 3.68249 hours remaining, 205.972656 MB of memory in use. ENERGY: 564200 721.1831 2102.4751 1908.9201 115.4377 -206327.9166 17757.2815 0.0000 0.0000 34383.0310 -149339.5880 300.2756 -183722.6190 -149239.0802 299.4428 -56.7157 -29.7782 555610.9597 3.7550 3.8370 LDB: ============= START OF LOAD BALANCING ============== 1683.82 LDB: ============== END OF LOAD BALANCING =============== 1683.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1683.83 LDB: ============= START OF LOAD BALANCING ============== 1684.12 LDB: Largest compute 4796 load 0.029834 is 25.3% of average load 0.118059 LDB: Average compute 0.001735 is 1.5% of average load 0.118059 LDB: TIME 1684.13 LOAD: AVG 0.118059 MAX 0.204299 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.258 MB LDB: TIME 1684.13 LOAD: AVG 0.118059 MAX 0.204299 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.258 MB LDB: TIME 1684.13 LOAD: AVG 0.118059 MAX 0.204299 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.258 MB LDB: ============== END OF LOAD BALANCING =============== 1684.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1684.13 PRESSURE: 564400 -254.514 -4.7746 90.9823 -4.7754 -148.145 -128.519 90.9836 -128.52 -214.225 GPRESSURE: 564400 -207.172 16.7761 73.1565 -33.609 -130.634 -192.019 186.419 -130.278 -184.225 PRESSAVG: 564400 -36.8875 -28.9397 12.0875 -28.9395 -55.7383 -53.4632 12.0875 -53.4632 74.2041 GPRESSAVG: 564400 -35.7511 -29.1025 10.1451 -29.9161 -56.3282 -53.8327 14.0285 -52.0143 73.8387 TIMING: 564400 CPU: 1680.88, 0.00302314/step Wall: 1680.88, 0.00302314/step, 3.72485 hours remaining, 206.683594 MB of memory in use. ENERGY: 564400 789.6266 2105.7249 1947.6977 113.7706 -206189.5467 17529.3772 0.0000 0.0000 34230.0497 -149473.3000 298.9395 -183703.3497 -149384.4764 299.0662 -205.6279 -174.0103 557499.6143 -6.1406 -6.0802 PRESSURE: 564600 -87.5817 17.4457 -3.05238 17.4468 -5.92612 -13.0233 -3.05278 -13.0265 3.91324 GPRESSURE: 564600 -166.684 -15.5684 -29.2639 56.3447 54.6361 -14.6913 78.8635 20.0972 129.077 PRESSAVG: 564600 -13.1366 -26.9401 -15.9557 -26.94 -13.4486 44.0959 -15.9558 44.0959 18.5698 GPRESSAVG: 564600 -14.2499 -26.1584 -16.6602 -26.0292 -12.3678 44.4386 -16.4676 42.9415 18.8108 TIMING: 564600 CPU: 1681.48, 0.00296643/step Wall: 1681.48, 0.00296643/step, 3.65481 hours remaining, 206.683594 MB of memory in use. ENERGY: 564600 732.2842 2046.6749 1939.2234 106.8420 -206091.3063 17639.7256 0.0000 0.0000 34247.3925 -149379.1636 299.0910 -183626.5562 -149284.0113 299.0398 -29.8649 5.6763 556178.4317 -2.6718 -2.6023 PRESSURE: 564800 -105.598 -2.32503 65.6738 -2.3235 -273.037 -152.781 65.6748 -152.781 -164.607 GPRESSURE: 564800 -109.278 14.5942 33.4724 -6.94147 -218.741 -130.166 82.8935 -109.53 -110.727 PRESSAVG: 564800 -55.6993 10.1287 18.4558 10.1288 4.93887 8.65171 18.4557 8.65165 104.769 GPRESSAVG: 564800 -55.6392 10.6134 19.9671 8.38063 4.71654 9.05539 18.2142 8.15498 104.843 TIMING: 564800 CPU: 1682.07, 0.00298631/step Wall: 1682.07, 0.00298631/step, 3.67914 hours remaining, 206.683594 MB of memory in use. ENERGY: 564800 751.2397 2075.3547 1936.6223 120.8966 -206085.3989 17452.5969 0.0000 0.0000 34375.6752 -149373.0135 300.2113 -183748.6888 -149273.8831 298.9384 -181.0808 -146.2486 556407.4771 18.0027 17.9733 PRESSURE: 565000 -82.7257 -85.8011 136.767 -85.8015 46.3665 -127.843 136.767 -127.843 -71.3438 GPRESSURE: 565000 -52.912 -66.1661 134.546 -50.4689 79.5997 -120.509 98.9559 -131.009 -47.2222 PRESSAVG: 565000 -7.02412 55.784 34.5292 55.784 43.1781 -50.2736 34.5292 -50.2736 -41.5055 GPRESSAVG: 565000 -5.92556 55.8113 34.4896 56.3832 42.7282 -48.7808 35.0485 -49.9736 -41.7681 TIMING: 565000 CPU: 1682.68, 0.00301506/step Wall: 1682.68, 0.00301506/step, 3.71439 hours remaining, 206.683594 MB of memory in use. ENERGY: 565000 732.3488 2113.0932 1946.9564 111.8586 -206344.6453 17830.4077 0.0000 0.0000 34276.9500 -149333.0307 299.3491 -183609.9807 -149232.0490 299.8618 -35.9010 -6.8448 556177.1314 -1.7838 -1.6551 PRESSURE: 565200 -69.7171 129.757 -89.2507 129.757 -215.19 -26.2149 -89.2506 -26.2158 -90.0169 GPRESSURE: 565200 -61.4835 88.0926 -38.9715 98.2767 -170.993 92.9414 -167.243 -52.7101 -50.3869 PRESSAVG: 565200 4.87495 29.0068 -22.6254 29.0068 -5.71304 -25.1449 -22.6254 -25.145 -1.98669 GPRESSAVG: 565200 4.43628 29.4615 -22.8943 28.676 -5.41919 -26.7756 -21.6118 -24.1729 -2.08062 TIMING: 565200 CPU: 1683.27, 0.00297246/step Wall: 1683.27, 0.00297246/step, 3.66174 hours remaining, 206.683594 MB of memory in use. ENERGY: 565200 773.6549 2102.1496 1911.0352 123.1778 -205775.5205 17439.1295 0.0000 0.0000 34370.2595 -149056.1141 300.1640 -183426.3736 -148963.7266 299.0688 -124.9748 -94.2878 555781.1220 -0.9416 -1.0212 PRESSURE: 565400 -29.6945 -23.6735 71.6416 -23.6732 107.153 -80.4079 71.6397 -80.4079 -126.957 GPRESSURE: 565400 6.19417 -35.2511 89.5947 27.2792 189.127 -96.8026 12.4819 -150.181 -162.145 PRESSAVG: 565400 -11.9853 39.9751 -6.53873 39.975 -15.4573 27.8312 -6.53891 27.8312 58.958 GPRESSAVG: 565400 -12.5556 37.2634 -6.28601 41.3449 -15.0635 24.8402 -8.51751 28.5634 58.9129 TIMING: 565400 CPU: 1683.86, 0.00296597/step Wall: 1683.86, 0.00296597/step, 3.65358 hours remaining, 206.683594 MB of memory in use. ENERGY: 565400 786.2024 2088.7174 1933.6355 103.9987 -206030.4629 17608.7597 0.0000 0.0000 34264.1537 -149244.9955 299.2374 -183509.1492 -149145.5021 299.1496 -16.4996 11.0589 556443.0142 10.5051 10.4313 PRESSURE: 565600 124.431 158.177 -4.87123 158.177 -27.2443 75.8843 -4.87198 75.8845 94.6077 GPRESSURE: 565600 179.201 137.022 37.7889 177.884 -26.577 86.9601 -15.8971 31.4874 149.172 PRESSAVG: 565600 4.31263 93.0229 7.27673 93.0228 -20.9229 67.3984 7.27686 67.3984 -15.0376 GPRESSAVG: 565600 4.94521 95.7794 6.97033 90.258 -22.0667 68.4213 6.29802 67.0939 -14.7847 TIMING: 565600 CPU: 1684.46, 0.00298508/step Wall: 1684.46, 0.00298508/step, 3.67695 hours remaining, 206.683594 MB of memory in use. ENERGY: 565600 783.9015 2090.4062 1951.4931 110.5498 -206559.0570 18000.1143 0.0000 0.0000 34109.7016 -149512.8905 297.8885 -183622.5921 -149419.3187 299.0398 63.9316 100.5984 555581.6114 -10.5493 -10.6354 PRESSURE: 565800 -34.1903 -8.41914 -90.1859 -8.41883 -195.701 64.621 -90.1844 64.6219 -102.463 GPRESSURE: 565800 11.4783 47.9967 -74.3992 -5.46883 -214.684 11.7284 -46.629 26.2859 -40.4869 PRESSAVG: 565800 -50.5782 11.1746 22.8832 11.1746 26.4185 9.31568 22.8832 9.31569 32.8566 GPRESSAVG: 565800 -50.0782 8.75985 21.9457 11.6813 26.2469 11.9925 23.5976 7.06159 32.4416 TIMING: 565800 CPU: 1685.05, 0.00294796/step Wall: 1685.05, 0.00294796/step, 3.63107 hours remaining, 206.683594 MB of memory in use. ENERGY: 565800 757.4609 2115.7435 1961.8677 111.6918 -206473.6894 17860.5144 0.0000 0.0000 34092.1420 -149574.2691 297.7352 -183666.4111 -149481.2532 298.3145 -110.7848 -81.2310 557101.8606 2.8990 2.8701 PRESSURE: 566000 78.036 152.915 -237.76 152.916 -196.522 119.219 -237.759 119.216 22.5556 GPRESSURE: 566000 94.1259 212.197 -276.461 119.118 -138.714 116.48 -270.006 119.867 58.8604 PRESSAVG: 566000 1.96752 52.4603 -40.4725 52.4603 -7.26844 28.7601 -40.4726 28.7601 -4.17513 GPRESSAVG: 566000 1.9942 52.3357 -40.501 53.1071 -5.72619 27.5551 -40.884 28.7824 -5.18888 TIMING: 566000 CPU: 1685.64, 0.00293593/step Wall: 1685.64, 0.00293593/step, 3.61609 hours remaining, 206.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 566000 734.1668 2119.2961 1932.2604 116.2502 -206600.0352 17804.2888 0.0000 0.0000 34161.5991 -149732.1738 298.3417 -183893.7729 -149635.8755 298.0502 -31.9767 4.7576 556780.7694 -3.1587 -2.9736 PRESSURE: 566200 -186.03 -36.8333 -36.0833 -36.8343 -34.891 -79.0321 -36.0835 -79.0321 -146.041 GPRESSURE: 566200 -121.494 -104.477 -127.28 -17.5556 -46.1513 -80.5889 24.5831 -83.1695 -91.4776 PRESSAVG: 566200 5.6188 -28.4495 -27.508 -28.4495 49.2245 18.2156 -27.5078 18.2156 -27.6474 GPRESSAVG: 566200 5.18493 -27.5828 -27.261 -28.7453 48.5676 18.2113 -25.5011 17.7402 -26.6399 TIMING: 566200 CPU: 1686.23, 0.00296893/step Wall: 1686.23, 0.00296893/step, 3.65656 hours remaining, 206.683594 MB of memory in use. ENERGY: 566200 789.9556 2090.9958 1931.3418 114.3603 -206408.6588 17714.1861 0.0000 0.0000 34130.8338 -149636.9855 298.0731 -183767.8192 -149535.1303 297.9923 -122.3207 -86.3742 557194.8842 9.0653 9.0375 PRESSURE: 566400 -74.1965 -100.671 29.6827 -100.67 138.822 102.509 29.6847 102.509 -72.929 GPRESSURE: 566400 5.0313 -108.109 -8.12087 -83.5913 211.474 153.234 143.033 48.8664 -129.073 PRESSAVG: 566400 57.5282 -35.9177 -18.7584 -35.9177 -6.83957 -19.5112 -18.7583 -19.5114 -92.6889 GPRESSAVG: 566400 57.5471 -35.0879 -16.2961 -35.7402 -6.9072 -20.3791 -20.0824 -17.3908 -92.4298 TIMING: 566400 CPU: 1686.82, 0.00294557/step Wall: 1686.82, 0.00294556/step, 3.62763 hours remaining, 206.808594 MB of memory in use. ENERGY: 566400 776.0301 2107.8317 1923.9415 105.0070 -206633.7995 17969.3458 0.0000 0.0000 34149.7914 -149601.8521 298.2386 -183751.6435 -149507.0369 298.1733 -2.7680 29.1443 557112.7347 -14.0001 -13.9300 PRESSURE: 566600 337.737 -111.623 -50.0035 -111.623 77.8899 5.24111 -50.0028 5.24148 221.849 GPRESSURE: 566600 371.492 -121.596 -191.379 -117.633 120.75 40.7561 -16.3848 31.7443 249.043 PRESSAVG: 566600 66.4175 -21.0107 -43.4616 -21.0106 -39.8132 32.3078 -43.4615 32.3077 -31.7598 GPRESSAVG: 566600 66.2268 -20.5763 -45.4976 -21.0854 -40.7505 32.8302 -42.7741 32.4694 -30.4676 TIMING: 566600 CPU: 1687.41, 0.00295005/step Wall: 1687.41, 0.00295005/step, 3.63299 hours remaining, 206.808594 MB of memory in use. ENERGY: 566600 732.4554 2089.7267 1921.1864 119.2462 -206501.4351 18087.0383 0.0000 0.0000 34079.7370 -149472.0452 297.6268 -183551.7823 -149380.1441 298.0253 212.4921 247.0949 555720.2259 -1.7185 -1.6638 PRESSURE: 566800 81.7069 116.116 58.1466 116.117 -90.558 63.7934 58.1465 63.7947 -98.0362 GPRESSURE: 566800 125.782 137.419 82.0223 110.501 -80.8635 96.4531 -24.9891 58.2996 -53.0031 PRESSAVG: 566800 26.5496 -33.4374 7.04361 -33.4375 -2.32642 -47.7577 7.04356 -47.7576 -27.9173 GPRESSAVG: 566800 27.0386 -34.0227 9.73614 -31.8663 -2.05605 -47.2893 4.54653 -50.2808 -28.0516 TIMING: 566800 CPU: 1688, 0.00293628/step Wall: 1688, 0.00293628/step, 3.61586 hours remaining, 206.808594 MB of memory in use. ENERGY: 566800 741.8128 2127.9260 1960.1478 118.7170 -206383.5115 17698.7806 0.0000 0.0000 34239.7260 -149496.4013 299.0240 -183736.1273 -149396.7241 298.1151 -35.6291 -2.6950 557302.3717 -1.2314 -1.0230 PRESSURE: 567000 -102.459 -87.9815 46.7627 -87.9811 10.1519 4.15904 46.763 4.16047 16.275 GPRESSURE: 567000 -129.176 36.9692 61.0792 -107.795 49.9125 3.90228 72.316 -23.6767 103.777 PRESSAVG: 567000 19.0399 3.50772 -21.7104 3.50772 -4.22364 10.4743 -21.7104 10.4744 -3.47099 GPRESSAVG: 567000 18.4163 2.5057 -23.6835 3.4944 -3.22583 10.9476 -18.2796 12.2191 -4.19525 TIMING: 567000 CPU: 1688.59, 0.00296129/step Wall: 1688.59, 0.00296129/step, 3.64651 hours remaining, 206.808594 MB of memory in use. ENERGY: 567000 777.9841 2070.8835 1939.7842 100.9401 -206478.6483 17938.9764 0.0000 0.0000 34289.2422 -149360.8378 299.4565 -183650.0800 -149270.7757 298.3713 -25.3440 8.1709 555631.2477 3.7818 3.6651 PRESSURE: 567200 244.809 -67.1537 0.858053 -67.1536 3.76068 -131.742 0.857846 -131.743 -200.884 GPRESSURE: 567200 229.665 -93.292 49.7115 -119.41 73.007 -148.246 -8.83571 -129.98 -159.208 PRESSAVG: 567200 8.17952 -7.90649 56.0513 -7.90648 -6.17905 -0.0102684 56.0512 -0.0103622 3.26207 GPRESSAVG: 567200 7.59129 -7.13481 58.2714 -8.5276 -6.03645 -1.30792 51.9881 -0.199933 2.8668 TIMING: 567200 CPU: 1689.18, 0.00294448/step Wall: 1689.18, 0.00294448/step, 3.62563 hours remaining, 206.808594 MB of memory in use. ENERGY: 567200 753.6628 2059.1976 1925.1145 115.4610 -206642.8388 17872.3093 0.0000 0.0000 34416.8409 -149500.2527 300.5708 -183917.0936 -149403.7189 299.0462 15.8954 47.8210 556259.9705 1.7542 1.4739 PRESSURE: 567400 158.439 31.2832 11.3358 31.2823 -9.38642 -71.2364 11.3358 -71.2357 -103.806 GPRESSURE: 567400 158.123 4.83419 65.6785 23.5351 53.1348 -11.7377 -3.97058 -125.371 -64.0142 PRESSAVG: 567400 7.70003 -30.1013 -14.2932 -30.1013 12.0598 3.73944 -14.2933 3.73939 1.00541 GPRESSAVG: 567400 8.02563 -32.718 -15.7965 -29.1788 11.9488 4.55057 -11.2934 2.76056 0.84548 TIMING: 567400 CPU: 1689.77, 0.00294395/step Wall: 1689.77, 0.00294395/step, 3.62482 hours remaining, 206.808594 MB of memory in use. ENERGY: 567400 747.2347 2069.2795 1943.8694 115.3739 -206583.2657 17766.9545 0.0000 0.0000 34432.9758 -149507.5778 300.7117 -183940.5536 -149414.8282 298.7561 15.0822 49.0814 557008.1481 6.9218 6.9400 PRESSURE: 567600 -14.2113 -34.4716 -192.74 -34.4719 7.53532 129.32 -192.739 129.321 50.7104 GPRESSURE: 567600 -9.56404 -20.7581 -166.092 -9.04247 30.585 140.22 -189.439 72.6843 125.163 PRESSAVG: 567600 -28.2218 9.24222 17.8164 9.24216 5.67818 -9.06852 17.8163 -9.06849 28.2199 GPRESSAVG: 567600 -28.2815 10.8736 17.2373 7.74766 5.32431 -10.3965 18.1483 -8.55851 28.5058 TIMING: 567600 CPU: 1690.36, 0.00294663/step Wall: 1690.36, 0.00294663/step, 3.62795 hours remaining, 206.808594 MB of memory in use. ENERGY: 567600 767.4497 2053.2044 1925.7494 110.1857 -206462.8633 17969.3472 0.0000 0.0000 34249.4809 -149387.4462 299.1092 -183636.9271 -149297.6689 299.1313 14.6782 48.7279 556408.3153 1.8921 1.8495 PRESSURE: 567800 60.8623 13.7347 -16.9715 13.7355 206.796 -0.661885 -16.9708 -0.661877 8.38414 GPRESSURE: 567800 36.386 -28.2079 29.5234 -4.16528 302.071 -40.7577 -8.78733 -4.68168 33.7833 PRESSAVG: 567800 -94.3297 -28.8744 -13.109 -28.8744 30.3298 -64.2102 -13.1091 -64.2102 48.466 GPRESSAVG: 567800 -93.9682 -27.0281 -13.2533 -28.939 31.3117 -64.6543 -15.9812 -62.2992 47.1881 TIMING: 567800 CPU: 1690.95, 0.0029588/step Wall: 1690.95, 0.0029588/step, 3.64278 hours remaining, 206.808594 MB of memory in use. ENERGY: 567800 756.9755 2076.0121 1949.4796 123.7002 -206414.3981 17959.6007 0.0000 0.0000 34343.3744 -149205.2556 299.9292 -183548.6300 -149107.1976 299.1304 92.0142 124.0802 556820.8899 -5.1780 -5.1561 PRESSURE: 568000 28.7081 -8.13488 -186.518 -8.13548 309.323 41.101 -186.517 41.0996 140.891 GPRESSURE: 568000 46.794 100.839 -196.731 -55.0105 334.1 27.0108 -251.203 55.9906 191.768 PRESSAVG: 568000 -102.082 -12.9967 16.8863 -12.9967 106.144 -30.7173 16.8863 -30.7173 4.03671 GPRESSAVG: 568000 -101.453 -14.7034 17.5567 -12.1415 105.343 -32.3023 17.8666 -30.8287 3.97902 TIMING: 568000 CPU: 1691.54, 0.00295916/step Wall: 1691.54, 0.00295916/step, 3.64305 hours remaining, 206.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 568000 733.4096 2095.2205 1927.0159 103.3600 -206065.7797 17849.8598 0.0000 0.0000 34354.5328 -149002.3811 300.0267 -183356.9139 -148914.7191 299.4683 159.6409 190.8873 557175.7951 2.6995 2.6230 PRESSURE: 568200 -39.4653 -69.5299 -154.2 -69.5289 -99.4151 -84.5612 -154.201 -84.5613 -189.085 GPRESSURE: 568200 -59.0354 -107.629 -194.525 74.8205 -35.5839 -99.1927 -150.579 -127.673 -146.688 PRESSAVG: 568200 -90.9578 29.6703 5.24273 29.6703 83.007 -54.5541 5.24271 -54.5539 36.1432 GPRESSAVG: 568200 -92.084 30.4754 5.97742 27.1669 83.5777 -52.838 5.91272 -56.4645 36.6885 TIMING: 568200 CPU: 1692.13, 0.00297051/step Wall: 1692.13, 0.00297051/step, 3.65687 hours remaining, 206.808594 MB of memory in use. ENERGY: 568200 730.5070 2133.2043 1953.6388 117.7483 -206044.8129 17604.4105 0.0000 0.0000 34378.6079 -149126.6962 300.2369 -183505.3040 -149025.6384 299.6518 -109.3219 -80.4356 556226.2651 9.3975 9.3940 LDB: ============= START OF LOAD BALANCING ============== 1695.68 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1695.68 LDB: =============== DONE WITH MIGRATION ================ 1695.68 LDB: ============= START OF LOAD BALANCING ============== 1695.98 LDB: Largest compute 4796 load 0.030169 is 25.6% of average load 0.118054 LDB: Average compute 0.001729 is 1.5% of average load 0.118054 LDB: TIME 1695.99 LOAD: AVG 0.118054 MAX 0.205669 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.684 MB LDB: TIME 1695.99 LOAD: AVG 0.118054 MAX 0.205669 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: TIME 1695.99 LOAD: AVG 0.118054 MAX 0.205669 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1695.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1695.99 PRESSURE: 568400 -194.02 106.825 -61.4388 106.826 97.722 196.236 -61.439 196.236 10.9555 GPRESSURE: 568400 -140.105 16.769 -91.5053 169.412 121.959 118.769 0.0108727 166.914 30.745 PRESSAVG: 568400 -56.9294 -9.85053 33.4343 -9.85049 31.3812 -77.762 33.4343 -77.762 26.1589 GPRESSAVG: 568400 -56.847 -8.51266 31.6782 -10.6719 29.3245 -75.7386 35.6327 -77.0194 27.7485 TIMING: 568400 CPU: 1692.74, 0.00303633/step Wall: 1692.74, 0.00303633/step, 3.73772 hours remaining, 206.683594 MB of memory in use. ENERGY: 568400 792.4021 2105.1400 1921.2707 109.0722 -206003.9251 17828.5714 0.0000 0.0000 34240.9560 -149006.5127 299.0348 -183247.4687 -148909.5732 299.8506 -28.4475 4.1996 557611.0235 0.2035 0.0753 PRESSURE: 568600 104.751 -42.5103 60.4168 -42.5101 329.182 115.277 60.417 115.278 10.2789 GPRESSURE: 568600 176.103 -59.1265 84.1734 7.13737 335.235 47.8759 2.2135 116.629 37.6001 PRESSAVG: 568600 -36.7948 -13.8637 41.5156 -13.8636 48.5206 -39.9183 41.5156 -39.9183 -0.210987 GPRESSAVG: 568600 -36.6216 -14.918 42.7322 -11.4709 50.7551 -43.412 37.8076 -39.288 -2.2653 TIMING: 568600 CPU: 1693.35, 0.00301696/step Wall: 1693.35, 0.00301697/step, 3.71372 hours remaining, 206.886719 MB of memory in use. ENERGY: 568600 768.1759 2105.3867 1935.1990 103.5103 -206283.9197 18068.9796 0.0000 0.0000 34360.4142 -148942.2540 300.0780 -183302.6681 -148852.4547 300.3660 148.0709 182.9795 557258.8386 3.8383 3.9561 PRESSURE: 568800 -69.1447 -93.3513 94.0261 -93.3529 -142.56 -7.85265 94.0264 -7.85208 -331.781 GPRESSURE: 568800 -94.5188 -69.7492 143.955 -143.329 -63.2621 18.5992 59.6976 -85.708 -271.925 PRESSAVG: 568800 -46.6138 58.1687 41.878 58.1686 103.375 -5.34837 41.878 -5.34831 -52.4845 GPRESSAVG: 568800 -47.5385 57.5179 43.2654 57.0332 102.225 -4.81934 44.0922 -6.50612 -50.6647 TIMING: 568800 CPU: 1693.95, 0.00301513/step Wall: 1693.95, 0.00301513/step, 3.71129 hours remaining, 206.886719 MB of memory in use. ENERGY: 568800 773.8800 2100.4840 1938.5773 116.9616 -205642.7170 17566.0213 0.0000 0.0000 34283.8874 -148862.9054 299.4097 -183146.7928 -148768.9482 300.8144 -181.1621 -143.2352 558053.5242 1.4256 1.3405 PRESSURE: 569000 -133.018 83.0285 291.514 83.0287 21.6752 -35.3615 291.514 -35.3613 -265.944 GPRESSURE: 569000 -76.9932 175.341 296.546 49.7585 30.8002 36.9935 251.445 20.4014 -235.903 PRESSAVG: 569000 0.660819 58.4797 -1.42842 58.4796 29.3717 -55.4511 -1.42843 -55.4512 -20.2627 GPRESSAVG: 569000 1.81461 57.7295 -3.30022 58.5489 29.0035 -54.1266 -2.00958 -54.3057 -21.8079 TIMING: 569000 CPU: 1694.54, 0.00294732/step Wall: 1694.54, 0.00294732/step, 3.62766 hours remaining, 206.886719 MB of memory in use. ENERGY: 569000 750.7909 2135.0002 1923.4447 110.9201 -205470.2137 17456.8541 0.0000 0.0000 34393.4757 -148699.7280 300.3668 -183093.2037 -148597.8618 300.6610 -125.7623 -94.0321 558186.8008 3.2566 3.0034 PRESSURE: 569200 -14.1193 -83.0996 10.5835 -83.0988 -98.0998 49.657 10.5819 49.6561 226.122 GPRESSURE: 569200 3.69578 -88.0173 122.038 -0.655207 -108.389 130.393 -60.3567 -19.411 318.176 PRESSAVG: 569200 -12.4384 -36.6224 -27.766 -36.6225 60.0206 -17.8798 -27.766 -17.8799 -11.3806 GPRESSAVG: 569200 -12.3942 -35.6402 -28.0137 -35.1652 59.7431 -16.1274 -28.0841 -21.5225 -10.831 TIMING: 569200 CPU: 1695.13, 0.00296026/step Wall: 1695.13, 0.00296026/step, 3.64342 hours remaining, 206.886719 MB of memory in use. ENERGY: 569200 760.7276 2097.8125 1937.6791 107.0149 -205828.6688 17860.2310 0.0000 0.0000 34319.1148 -148746.0889 299.7174 -183065.2037 -148650.9262 300.9779 37.9678 71.1608 558203.7129 12.0672 12.1726 PRESSURE: 569400 39.2602 6.75758 -121.465 6.75729 160.975 -8.45655 -121.464 -8.45588 -127.11 GPRESSURE: 569400 14.1075 -36.2344 -132.862 16.781 240.129 -63.9322 -178.618 11.8057 -86.6268 PRESSAVG: 569400 17.0111 19.5984 -17.1532 19.5984 -7.17452 -3.09405 -17.1531 -3.0939 4.75969 GPRESSAVG: 569400 16.7242 20.3331 -15.9528 16.0004 -7.0825 -3.83377 -19.2888 -0.592484 5.2532 TIMING: 569400 CPU: 1695.72, 0.00293925/step Wall: 1695.72, 0.00293925/step, 3.6174 hours remaining, 206.886719 MB of memory in use. ENERGY: 569400 721.4004 2134.0941 1944.1074 105.3713 -206010.2564 17790.5892 0.0000 0.0000 34583.6194 -148731.0746 302.0273 -183314.6940 -148626.2867 301.1745 24.3751 55.8697 557788.0488 4.8654 4.9650 PRESSURE: 569600 -141.344 -119.222 -8.64014 -119.222 58.8618 125.52 -8.63738 125.519 15.9815 GPRESSURE: 569600 -97.5411 -50.5351 -44.1396 -145.683 107.094 134.533 24.6026 109.875 15.2046 PRESSAVG: 569600 -36.4226 4.44466 55.6462 4.44463 -5.60848 9.90694 55.6463 9.90701 46.5301 GPRESSAVG: 569600 -36.4111 3.36934 55.8419 7.86723 -5.36516 10.8322 57.3097 11.7263 46.0541 TIMING: 569600 CPU: 1696.31, 0.0029579/step Wall: 1696.31, 0.0029579/step, 3.64019 hours remaining, 206.886719 MB of memory in use. ENERGY: 569600 766.4075 2077.1949 1966.1033 115.7817 -205998.4192 17803.5328 0.0000 0.0000 34559.1240 -148710.2750 301.8134 -183269.3990 -148608.8517 301.0896 -22.1670 8.2524 557648.8671 1.4997 1.4260 PRESSURE: 569800 -65.7629 3.8588 52.7171 3.85792 72.0278 -58.6239 52.7177 -58.6249 -95.6115 GPRESSURE: 569800 -18.0034 -62.2977 108.828 40.2851 50.5792 -11.8913 61.0266 -8.75814 -21.0429 PRESSAVG: 569800 12.3657 -12.3301 12.9657 -12.3301 -81.3626 17.9166 12.9657 17.9165 81.0889 GPRESSAVG: 569800 12.7861 -12.3984 12.927 -13.359 -81.7025 16.343 11.6249 15.9302 81.0722 TIMING: 569800 CPU: 1696.9, 0.00296671/step Wall: 1696.9, 0.00296671/step, 3.65086 hours remaining, 206.886719 MB of memory in use. ENERGY: 569800 749.5378 2129.2729 1938.7837 118.2052 -205752.8552 17649.8998 0.0000 0.0000 34299.9939 -148867.1619 299.5504 -183167.1558 -148770.7937 300.5297 -29.7822 3.8443 557780.8906 4.0307 4.0519 PRESSURE: 570000 -71.2226 68.9905 71.2266 68.9918 161.917 -156.908 71.2277 -156.909 3.95882 GPRESSURE: 570000 -1.48568 49.4629 -20.9068 64.8902 153.338 -164.73 101.038 -208.603 36.3335 PRESSAVG: 570000 -4.5248 -11.2763 -7.96201 -11.2763 -17.906 -39.974 -7.96211 -39.974 14.5927 GPRESSAVG: 570000 -5.09723 -11.5952 -8.94044 -11.4749 -18.5973 -39.7556 -6.47417 -40.3441 15.4304 TIMING: 570000 CPU: 1697.5, 0.00297097/step Wall: 1697.5, 0.00297097/step, 3.65594 hours remaining, 206.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 570000 751.3076 2103.8341 1988.5922 116.3795 -206082.5922 17805.5630 0.0000 0.0000 34269.6194 -149047.2964 299.2851 -183316.9158 -148947.3861 299.8785 31.5512 62.7285 557693.0379 -2.6127 -2.7547 PRESSURE: 570200 -15.7153 57.3171 38.385 57.3168 -53.9727 -56.8111 38.3846 -56.8106 -42.4775 GPRESSURE: 570200 12.0385 71.3814 36.2409 72.2375 11.4022 -41.9927 59.9916 -92.4557 -43.221 PRESSAVG: 570200 22.9537 0.24553 -7.07609 0.245543 19.6039 27.471 -7.0762 27.471 -34.434 GPRESSAVG: 570200 23.5718 2.10177 -5.2358 1.08377 19.735 27.9977 -9.7191 27.5441 -35.1999 TIMING: 570200 CPU: 1698.1, 0.00300176/step Wall: 1698.1, 0.00300176/step, 3.69367 hours remaining, 206.886719 MB of memory in use. ENERGY: 570200 730.3293 2069.6968 1932.3146 118.4456 -206157.0231 17789.7365 0.0000 0.0000 34378.7961 -149137.7043 300.2386 -183516.5004 -149034.7757 299.8574 -37.3885 -6.5934 559107.3037 2.7079 2.7023 PRESSURE: 570400 -14.7181 10.709 37.6826 10.7093 -76.9139 72.6364 37.6829 72.6359 111.693 GPRESSURE: 570400 60.8063 -53.714 68.0089 48.9378 -106.953 64.6317 25.1171 13.7572 182.295 PRESSAVG: 570400 -18.9189 7.65632 -31.5001 7.65634 20.3098 -5.50755 -31.5 -5.50756 30.2731 GPRESSAVG: 570400 -18.3361 6.40537 -34.4732 6.75095 19.5828 -6.26419 -28.9205 -5.77646 30.4155 TIMING: 570400 CPU: 1698.69, 0.00298552/step Wall: 1698.69, 0.00298552/step, 3.67351 hours remaining, 206.886719 MB of memory in use. ENERGY: 570400 772.8523 2072.8498 1927.2475 132.7365 -206590.3134 17942.2461 0.0000 0.0000 34412.3402 -149330.0411 300.5315 -183742.3812 -149227.4037 298.9569 6.6871 45.3826 556435.4820 10.5547 10.5541 PRESSURE: 570600 -114.685 -130.926 -72.337 -130.928 -12.2818 -25.0979 -72.337 -25.0987 -368.954 GPRESSURE: 570600 -97.5418 -154.117 -98.7679 -90.0575 58.7051 7.54198 -51.2599 -30.973 -353.599 PRESSAVG: 570600 39.898 3.29006 31.0827 3.29008 15.0513 -14.3051 31.0827 -14.305 8.05967 GPRESSAVG: 570600 39.1523 2.4475 32.9171 2.94335 15.9332 -15.016 30.5949 -12.898 7.50454 TIMING: 570600 CPU: 1699.3, 0.00301233/step Wall: 1699.3, 0.00301233/step, 3.70634 hours remaining, 206.886719 MB of memory in use. ENERGY: 570600 764.6647 2076.0544 1961.9742 119.0850 -205912.9416 17576.6624 0.0000 0.0000 34108.3648 -149306.1361 297.8768 -183414.5009 -149207.5224 299.0879 -165.3072 -130.8119 557606.4544 21.0030 20.8633 PRESSURE: 570800 288.457 56.5352 -75.0556 56.5353 55.9741 -62.973 -75.0555 -62.9734 -304.48 GPRESSURE: 570800 334.765 65.1838 -50.2972 -31.9175 66.846 -84.0303 -68.1698 -12.0316 -272.177 PRESSAVG: 570800 -3.11515 -3.70096 17.4355 -3.70103 15.0913 1.31801 17.4355 1.31797 6.25991 GPRESSAVG: 570800 -3.49682 -3.2678 17.0949 -1.80184 15.7466 0.572637 18.1097 2.70775 5.58715 TIMING: 570800 CPU: 1699.9, 0.00300452/step Wall: 1699.9, 0.00300452/step, 3.69656 hours remaining, 206.886719 MB of memory in use. ENERGY: 570800 732.5993 2094.3949 1939.1256 129.0887 -206163.4667 17736.2986 0.0000 0.0000 34351.8533 -149180.1063 300.0033 -183531.9596 -149086.8432 299.6721 13.3172 43.1446 557007.1168 6.0787 5.9456 PRESSURE: 571000 -101.696 105.223 -105.122 105.222 232.28 -85.4486 -105.123 -85.4489 -143.005 GPRESSURE: 571000 -81.545 84.7794 -136.514 112.802 261.711 -60.104 -51.4551 -41.9628 -100.322 PRESSAVG: 571000 -15.163 30.4236 -41.879 30.4235 18.2809 -58.1471 -41.879 -58.1472 -43.7661 GPRESSAVG: 571000 -14.6377 30.6382 -42.6714 29.955 16.6438 -56.2608 -39.8207 -59.5908 -41.9114 TIMING: 571000 CPU: 1700.49, 0.00297929/step Wall: 1700.49, 0.00297929/step, 3.66535 hours remaining, 206.886719 MB of memory in use. ENERGY: 571000 770.7974 2172.4068 1910.9229 119.7310 -206193.3662 17782.1550 0.0000 0.0000 34332.9301 -149104.4231 299.8380 -183437.3532 -149008.1468 299.7310 -4.1403 26.6144 556464.2528 -13.5494 -13.3018 PRESSURE: 571200 23.9608 -79.4685 68.9715 -79.4684 -272.051 194.296 68.9714 194.297 -116.998 GPRESSURE: 571200 79.4671 -49.529 103.715 -164.287 -254.829 227.404 -4.21901 196.524 -95.6215 PRESSAVG: 571200 2.64127 26.4735 32.3788 26.4734 28.2826 -1.89394 32.3788 -1.89389 -50.7932 GPRESSAVG: 571200 2.07284 26.6735 34.2673 26.8296 28.7612 -1.09258 30.1051 -1.85544 -50.4711 TIMING: 571200 CPU: 1701.09, 0.0029935/step Wall: 1701.09, 0.0029935/step, 3.68267 hours remaining, 206.886719 MB of memory in use. ENERGY: 571200 753.6844 2128.8401 1941.2668 121.1681 -206034.2112 17620.7441 0.0000 0.0000 34203.7537 -149264.7539 298.7099 -183468.5077 -149173.3842 299.8442 -121.6963 -90.3277 557914.9919 -6.6231 -6.5457 PRESSURE: 571400 115.781 205.501 52.1138 205.501 -30.6013 -45.5156 52.113 -45.5154 -10.7404 GPRESSURE: 571400 181.908 184.261 51.5023 194.48 20.0874 3.44511 84.4622 59.3831 -29.47 PRESSAVG: 571400 9.07796 11.0354 17.9689 11.0355 1.41381 -4.65605 17.9689 -4.65619 -6.06427 GPRESSAVG: 571400 9.04684 10.5073 18.5001 9.66894 2.2539 -6.28924 17.2039 -5.05752 -7.07924 TIMING: 571400 CPU: 1701.69, 0.002973/step Wall: 1701.69, 0.002973/step, 3.65729 hours remaining, 206.886719 MB of memory in use. ENERGY: 571400 753.7710 2079.1381 1925.6310 115.7404 -206473.2941 17830.2881 0.0000 0.0000 34539.1894 -149229.5361 301.6393 -183768.7255 -149136.6584 299.6741 24.8129 57.5084 557470.8954 1.4758 1.4072 PRESSURE: 571600 -112.437 -3.56686 49.4859 -3.56736 42.15 -81.1093 49.4858 -81.1094 4.79981 GPRESSURE: 571600 -122.2 5.52232 26.6791 9.91358 64.3982 -133.235 38.8365 -42.201 93.7239 PRESSAVG: 571600 -34.6787 42.8732 31.2176 42.8732 -18.8481 -2.0816 31.2176 -2.08156 29.3491 GPRESSAVG: 571600 -33.6669 42.8719 29.2088 43.4989 -19.7643 -2.19426 32.1596 -2.15425 29.3535 TIMING: 571600 CPU: 1702.28, 0.00297047/step Wall: 1702.28, 0.00297047/step, 3.65401 hours remaining, 206.886719 MB of memory in use. ENERGY: 571600 760.6394 2091.5809 1959.0479 107.1405 -206304.5614 17835.8638 0.0000 0.0000 34316.2670 -149234.0220 299.6925 -183550.2890 -149137.1222 298.8454 -21.8291 11.9741 557094.5823 -8.0592 -8.0259 PRESSURE: 571800 -286.597 181.926 -148.228 181.926 -24.1992 -96.4932 -148.228 -96.4918 0.843373 GPRESSURE: 571800 -243.272 165.193 -171.104 284.98 -5.88858 -75.3873 -81.871 -105.753 23.247 PRESSAVG: 571800 21.1322 22.3671 -14.7693 22.367 -17.4172 -14.4588 -14.7693 -14.4588 6.12069 GPRESSAVG: 571800 20.8932 21.0317 -13.3037 20.3123 -16.7553 -13.3695 -15.6173 -14.2 5.38067 TIMING: 571800 CPU: 1702.87, 0.00296356/step Wall: 1702.87, 0.00296357/step, 3.64535 hours remaining, 206.886719 MB of memory in use. ENERGY: 571800 786.8800 2114.0272 1933.7536 109.3535 -206438.9006 17758.4069 0.0000 0.0000 34365.4962 -149370.9832 300.1224 -183736.4794 -149271.8420 299.0891 -103.3176 -75.3047 557254.9018 3.2786 3.1729 PRESSURE: 572000 -339.233 53.0983 59.333 53.0971 -14.1217 21.6043 59.3322 21.6054 -243.733 GPRESSURE: 572000 -289.056 79.7281 69.8458 67.7546 32.7169 6.56238 -46.8814 128.552 -234.972 PRESSAVG: 572000 6.48176 23.1582 -31.6445 23.1581 -16.8087 -22.0108 -31.6445 -22.0108 -9.38978 GPRESSAVG: 572000 7.46379 24.8891 -32.0522 25.264 -17.8015 -20.8549 -32.4584 -22.4655 -9.21014 TIMING: 572000 CPU: 1703.47, 0.00297128/step Wall: 1703.47, 0.00297128/step, 3.65467 hours remaining, 206.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 572000 765.9042 2048.0164 1960.0603 112.4141 -206285.9654 17711.7833 0.0000 0.0000 34247.7680 -149440.0190 299.0943 -183687.7870 -149342.8798 299.7847 -199.0292 -163.7703 557488.8676 -6.5722 -6.5159 PRESSURE: 572200 44.7279 -48.5927 -78.0241 -48.5912 164.497 18.5735 -78.0245 18.5753 76.4889 GPRESSURE: 572200 109.687 -41.7246 -79.9338 -11.9415 172.916 41.3482 -31.3133 -53.8105 104.459 PRESSAVG: 572200 -68.1244 -2.47737 25.6089 -2.47735 55.9425 -20.8154 25.6088 -20.8154 24.6711 GPRESSAVG: 572200 -70.0791 -2.67821 25.4978 -1.08434 57.4966 -23.1614 26.3242 -22.4417 24.9702 TIMING: 572200 CPU: 1704.06, 0.00297662/step Wall: 1704.06, 0.00297662/step, 3.66108 hours remaining, 206.886719 MB of memory in use. ENERGY: 572200 744.7342 2121.0627 1928.0373 117.3642 -206446.5907 17737.5864 0.0000 0.0000 34351.3431 -149446.4629 299.9988 -183797.8059 -149343.1523 298.9273 95.2380 129.0208 555673.0156 4.1631 4.1292 LDB: ============= START OF LOAD BALANCING ============== 1707.61 LDB: ============== END OF LOAD BALANCING =============== 1707.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1707.61 LDB: ============= START OF LOAD BALANCING ============== 1707.91 LDB: Largest compute 4796 load 0.030482 is 25.8% of average load 0.117976 LDB: Average compute 0.001741 is 1.5% of average load 0.117976 LDB: TIME 1707.91 LOAD: AVG 0.117976 MAX 0.202375 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.684 MB LDB: TIME 1707.91 LOAD: AVG 0.117976 MAX 0.202375 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: TIME 1707.91 LOAD: AVG 0.117976 MAX 0.202375 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1707.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1707.92 PRESSURE: 572400 122.678 -38.2846 139.827 -38.2841 132.969 94.5749 139.827 94.5755 148.925 GPRESSURE: 572400 108.282 -79.8039 94.1903 -56.5224 192.106 31.6433 125.977 107.339 191.421 PRESSAVG: 572400 -66.9457 -16.1567 20.8079 -16.1567 32.982 -53.4773 20.8079 -53.4772 73.1541 GPRESSAVG: 572400 -66.1918 -18.0429 18.6915 -14.898 32.1284 -51.697 21.6931 -53.0871 72.8174 TIMING: 572400 CPU: 1704.67, 0.00302135/step Wall: 1704.67, 0.00302135/step, 3.71592 hours remaining, 206.683594 MB of memory in use. ENERGY: 572400 745.4503 2087.9732 1924.9698 109.0886 -206525.7798 18002.6955 0.0000 0.0000 34187.8698 -149467.7326 298.5712 -183655.6024 -149366.9345 299.1465 134.8573 163.9363 555894.8567 13.0635 12.9180 PRESSURE: 572600 -115.088 55.7765 -48.8798 55.7764 275.126 26.774 -48.8802 26.7743 121.33 GPRESSURE: 572600 -50.2231 67.5439 40.0818 106.924 277.134 52.3937 -0.481251 24.0422 147.137 PRESSAVG: 572600 -14.5563 -13.3493 7.90183 -13.3492 53.1058 -38.58 7.90182 -38.5799 -9.38825 GPRESSAVG: 572600 -14.1946 -11.94 8.08248 -13.2077 52.5094 -40.1383 7.08588 -39.1632 -9.23529 TIMING: 572600 CPU: 1705.26, 0.00296627/step Wall: 1705.26, 0.00296627/step, 3.64802 hours remaining, 206.683594 MB of memory in use. ENERGY: 572600 741.8174 2060.2961 1923.9406 101.3014 -206473.2193 17987.5530 0.0000 0.0000 34117.4787 -149540.8321 297.9564 -183658.3108 -149440.7522 298.6902 93.7893 124.6824 556046.1287 9.7204 9.6932 PRESSURE: 572800 -18.7563 14.4831 -52.7213 14.4825 296.494 -11.9103 -52.721 -11.9112 131.273 GPRESSURE: 572800 -37.6766 2.47911 -83.1638 -0.24319 348.683 -48.3191 -31.7547 -5.60326 206.581 PRESSAVG: 572800 -51.8543 -23.4649 1.20796 -23.4649 7.27893 21.8283 1.20795 21.8282 49.8933 GPRESSAVG: 572800 -52.0548 -22.84 2.73599 -25.2577 7.40903 20.9271 1.65998 25.1585 50.2046 TIMING: 572800 CPU: 1705.85, 0.0029641/step Wall: 1705.85, 0.0029641/step, 3.64519 hours remaining, 206.683594 MB of memory in use. ENERGY: 572800 743.3319 2052.5905 1945.6456 124.9290 -206689.9399 18036.3620 0.0000 0.0000 34438.3301 -149348.7508 300.7585 -183787.0809 -149251.1470 299.3060 136.3369 172.5292 556906.7516 1.7726 1.8529 PRESSURE: 573000 41.8124 -67.1839 -112.72 -67.1827 -218.098 -36.8227 -112.719 -36.8232 -4.58258 GPRESSURE: 573000 61.2428 10.6111 -156.708 -97.8626 -224.229 7.04873 -138.749 -47.3377 77.7261 PRESSAVG: 573000 -43.0991 -9.93352 -23.2921 -9.93353 31.9876 26.3526 -23.292 26.3526 15.3211 GPRESSAVG: 573000 -43.7253 -11.383 -23.2611 -8.29637 33.2087 29.4315 -22.9831 23.3018 14.4187 TIMING: 573000 CPU: 1706.44, 0.00295232/step Wall: 1706.44, 0.00295232/step, 3.63053 hours remaining, 206.683594 MB of memory in use. ENERGY: 573000 752.0882 2040.8058 1944.7845 118.9843 -206624.0317 17754.4843 0.0000 0.0000 34459.8340 -149553.0507 300.9463 -184012.8847 -149455.8174 299.7386 -60.2895 -28.4201 555806.1070 1.4032 1.3007 PRESSURE: 573200 327.169 -98.9033 -147.808 -98.9025 166.69 -1.01551 -147.807 -1.01547 54.0309 GPRESSURE: 573200 355.964 -43.5368 -83.6842 -82.2056 209.517 3.42459 -87.4369 21.4131 78.3637 PRESSAVG: 573200 2.84906 19.4652 33.9113 19.4651 -25.4654 65.1768 33.9113 65.1767 -0.00864963 GPRESSAVG: 573200 3.06071 22.3406 32.2579 17.8833 -27.5669 64.5616 34.1356 65.0827 1.28381 TIMING: 573200 CPU: 1707.03, 0.00295485/step Wall: 1707.03, 0.00295485/step, 3.63348 hours remaining, 206.683594 MB of memory in use. ENERGY: 573200 749.7851 2054.8569 1915.5749 98.0459 -206484.9335 18056.9253 0.0000 0.0000 34203.8002 -149405.9453 298.7103 -183609.7455 -149319.5054 298.7663 182.6302 214.6150 554371.5758 -7.5417 -7.7408 PRESSURE: 573400 -167.531 230.605 -159.37 230.606 375.011 -87.7785 -159.368 -87.7771 170.951 GPRESSURE: 573400 -86.2764 252.823 -188.505 164.93 410.291 -134.773 -97.4954 -84.6998 154.024 PRESSAVG: 573400 -3.90002 -21.312 -13.4055 -21.3119 0.959714 -47.2946 -13.4054 -47.2945 -22.7556 GPRESSAVG: 573400 -4.01946 -22.3005 -11.0294 -20.7033 2.62412 -51.4491 -14.1282 -43.2251 -23.9484 TIMING: 573400 CPU: 1707.63, 0.0029841/step Wall: 1707.63, 0.0029841/step, 3.66929 hours remaining, 206.683594 MB of memory in use. ENERGY: 573400 786.1458 2037.0593 1943.7525 112.1528 -206705.7197 18114.7469 0.0000 0.0000 34209.0093 -149502.8531 298.7558 -183711.8625 -149402.6087 298.6272 126.1436 159.3462 556409.5249 -8.5653 -8.4479 PRESSURE: 573600 92.2798 -155.776 -175.087 -155.777 -34.4174 11.7113 -175.087 11.7116 -159.914 GPRESSURE: 573600 77.6384 -240.612 -64.7381 -91.6393 41.365 -8.99542 -254.511 -32.6992 -117.669 PRESSAVG: 573600 36.1459 -2.72135 -27.9435 -2.72141 -15.8234 -47.914 -27.9436 -47.9141 -37.9059 GPRESSAVG: 573600 36.8144 -3.72998 -30.0365 -1.52771 -16.5861 -44.3472 -26.1218 -50.4817 -38.0566 TIMING: 573600 CPU: 1708.23, 0.00298149/step Wall: 1708.23, 0.0029815/step, 3.66591 hours remaining, 206.683594 MB of memory in use. ENERGY: 573600 771.9143 2118.8706 1892.5095 112.6509 -206343.8768 17745.8142 0.0000 0.0000 34240.8568 -149461.2604 299.0339 -183702.1173 -149357.1950 298.1704 -34.0171 0.4448 554766.9685 -5.8611 -5.9428 PRESSURE: 573800 -136.804 -72.8421 -12.3064 -72.8412 -234.299 -182.565 -12.3058 -182.564 -166.506 GPRESSURE: 573800 -125.967 -124.244 -83.6914 -53.987 -235.3 -270.753 165.939 -123.152 -72.926 PRESSAVG: 573800 -27.528 44.467 -61.5374 44.4671 54.7873 -38.0424 -61.5375 -38.0424 -37.8869 GPRESSAVG: 573800 -28.69 44.2396 -58.6136 42.3336 56.1698 -38.7331 -62.7081 -38.9872 -38.5658 TIMING: 573800 CPU: 1708.82, 0.00297819/step Wall: 1708.82, 0.00297818/step, 3.66168 hours remaining, 206.683594 MB of memory in use. ENERGY: 573800 771.8805 2077.4094 1960.1600 112.0816 -205878.3834 17435.6920 0.0000 0.0000 34102.9616 -149418.1985 297.8296 -183521.1600 -149326.0528 298.7656 -179.2030 -144.7307 556386.0092 -3.5425 -3.6953 PRESSURE: 574000 181.61 -131.644 -29.2374 -131.643 90.9194 109.699 -29.237 109.7 108.217 GPRESSURE: 574000 232.988 -162.794 -72.918 -41.5762 82.6348 102.592 -23.4997 66.64 178.255 PRESSAVG: 574000 -21.212 6.56563 4.43528 6.56572 16.9691 -37.8809 4.43523 -37.8808 50.4269 GPRESSAVG: 574000 -21.2217 7.62381 1.69022 6.58778 16.237 -38.8273 3.73066 -37.1329 50.6568 TIMING: 574000 CPU: 1709.42, 0.00300142/step Wall: 1709.42, 0.00300142/step, 3.69008 hours remaining, 206.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 574000 732.6170 2121.6380 1935.5721 99.4700 -206425.8970 17937.3562 0.0000 0.0000 34145.1877 -149454.0561 298.1984 -183599.2438 -149365.2964 298.4037 126.9152 164.6258 555140.0779 15.3947 15.2240 PRESSURE: 574200 144.249 -9.70497 -39.6268 -9.70346 -40.1187 31.1111 -39.6267 31.1096 -199.26 GPRESSURE: 574200 134.952 -31.1337 -93.134 90.6819 15.0435 -0.576645 -23.021 96.0453 -136.717 PRESSAVG: 574200 4.45044 1.39972 43.07 1.39969 54.1813 -31.1332 43.07 -31.1333 -33.8362 GPRESSAVG: 574200 4.32758 -0.0616528 41.3829 3.75099 53.7296 -28.23 44.9212 -31.3245 -34.08 TIMING: 574200 CPU: 1710.01, 0.00294931/step Wall: 1710.01, 0.00294931/step, 3.62584 hours remaining, 206.683594 MB of memory in use. ENERGY: 574200 747.7618 2102.3985 1953.7169 118.3374 -206140.4910 17779.6828 0.0000 0.0000 34088.2415 -149350.3521 297.7011 -183438.5936 -149252.3463 298.9402 -31.7097 4.4261 556266.9924 8.2652 7.9924 PRESSURE: 574400 -428.428 -83.4564 -16.6492 -83.4573 -49.4902 37.8502 -16.6489 37.8486 -383.693 GPRESSURE: 574400 -405.69 -35.8633 -49.536 -145.043 -12.4983 -51.1015 56.0735 23.9433 -349.566 PRESSAVG: 574400 24.3296 7.84383 -29.5783 7.84382 23.9064 -4.53635 -29.5785 -4.53637 -49.9172 GPRESSAVG: 574400 23.7445 8.09816 -27.6669 5.16986 23.9051 -6.95227 -31.3787 -4.79148 -49.0425 TIMING: 574400 CPU: 1710.6, 0.00295575/step Wall: 1710.6, 0.00295575/step, 3.63361 hours remaining, 206.683594 MB of memory in use. ENERGY: 574400 743.6925 2073.2955 1948.6564 103.2726 -205438.5816 17079.1614 0.0000 0.0000 34063.0675 -149427.4356 297.4812 -183490.5031 -149332.6250 299.3416 -287.2037 -255.9180 557564.3813 -0.5604 -0.4643 PRESSURE: 574600 -323.46 136.441 -48.2387 136.44 -169.327 86.0736 -48.2369 86.0713 -541.73 GPRESSURE: 574600 -291.485 66.4173 -91.9818 151.439 -175.093 69.9525 -86.0232 50.2554 -464.533 PRESSAVG: 574600 -62.5001 17.0901 -21.0002 17.0901 7.04889 35.8255 -21.0002 35.8254 44.0651 GPRESSAVG: 574600 -62.3108 17.6557 -21.4141 17.6056 7.07656 37.0592 -19.1118 36.2341 43.3308 TIMING: 574600 CPU: 1711.19, 0.00294044/step Wall: 1711.19, 0.00294044/step, 3.61462 hours remaining, 206.683594 MB of memory in use. ENERGY: 574600 739.7434 2069.3637 1902.5336 114.9706 -205668.7101 17381.8120 0.0000 0.0000 34072.4426 -149387.8442 297.5631 -183460.2867 -149284.6044 298.3969 -344.8390 -310.3702 557727.2458 -3.7954 -3.9678 PRESSURE: 574800 -28.7776 -21.3057 -64.9709 -21.3059 57.9242 -113.452 -64.9709 -113.451 13.5541 GPRESSURE: 574800 17.4303 41.6195 -118.556 -14.3764 86.6307 -168.919 8.82776 -29.2625 41.3705 PRESSAVG: 574800 -33.0853 25.2893 20.4506 25.2892 51.7683 -5.47736 20.4506 -5.47736 -35.149 GPRESSAVG: 574800 -33.7954 26.1012 20.4892 24.0308 52.5007 -5.43622 18.3212 -6.34832 -35.1142 TIMING: 574800 CPU: 1711.79, 0.00297986/step Wall: 1711.79, 0.00297986/step, 3.66291 hours remaining, 206.683594 MB of memory in use. ENERGY: 574800 730.7969 2029.3132 1937.2175 118.5931 -206147.5883 17755.5108 0.0000 0.0000 34314.9112 -149261.2457 299.6807 -183576.1568 -149164.6556 299.0266 14.2336 48.4772 557944.2744 -5.4887 -5.4696 PRESSURE: 575000 -257.472 96.7065 -61.1505 96.7082 329.153 -24.4141 -61.152 -24.4147 148.119 GPRESSURE: 575000 -170.84 59.0404 -45.6777 96.6779 313.045 -56.4941 1.02993 -105.028 180.807 PRESSAVG: 575000 13.2647 1.17466 -5.02563 1.17467 42.6604 -40.6312 -5.02578 -40.6313 -36.3837 GPRESSAVG: 575000 13.4796 2.07935 -4.15844 1.06463 42.4049 -39.6124 -3.20175 -40.4253 -36.5105 TIMING: 575000 CPU: 1712.39, 0.00300198/step Wall: 1712.39, 0.00300198/step, 3.68994 hours remaining, 206.683594 MB of memory in use. ENERGY: 575000 747.7375 2042.2479 1953.1147 111.2145 -205896.9975 17677.1570 0.0000 0.0000 34144.1841 -149221.3418 298.1897 -183365.5259 -149117.7518 299.3632 73.2668 107.6706 556365.9668 6.5138 6.4580 PRESSURE: 575200 -193.084 -33.734 11.9096 -33.7346 -218.779 -54.5394 11.9101 -54.5388 -193.222 GPRESSURE: 575200 -149.433 22.8394 -63.2343 -92.2758 -224.355 -109.059 39.3584 -70.9644 -121.971 PRESSAVG: 575200 27.6565 2.02807 -40.38 2.02802 48.6023 24.6157 -40.3801 24.6157 -85.9701 GPRESSAVG: 575200 27.9677 -0.157169 -41.1844 2.30186 47.8494 23.5399 -40.4512 25.0025 -85.8143 TIMING: 575200 CPU: 1712.99, 0.00299069/step Wall: 1712.99, 0.00299069/step, 3.67589 hours remaining, 206.683594 MB of memory in use. ENERGY: 575200 749.4929 2009.4109 1938.0228 108.3799 -205783.1594 17495.4603 0.0000 0.0000 34188.6130 -149293.7796 298.5777 -183482.3926 -149200.1745 299.2489 -201.6952 -165.2532 558747.8910 -3.2371 -3.3324 PRESSURE: 575400 -442.41 -0.963429 32.2766 -0.963928 -164.669 21.5267 32.2755 21.5273 -208.913 GPRESSURE: 575400 -384.5 -82.2497 -109.151 -15.076 -133.836 -12.0766 36.2233 32.9812 -190.131 PRESSAVG: 575400 33.5032 -11.3063 -3.40922 -11.3063 -43.1352 -56.7714 -3.4092 -56.7714 -33.4409 GPRESSAVG: 575400 34.1707 -12.2808 -4.19771 -10.2893 -42.1971 -57.4817 -2.4284 -56.1426 -34.895 TIMING: 575400 CPU: 1713.59, 0.00299461/step Wall: 1713.59, 0.00299461/step, 3.68054 hours remaining, 206.683594 MB of memory in use. ENERGY: 575400 744.2128 2036.6087 1944.3909 102.7653 -206008.0286 17558.7023 0.0000 0.0000 34227.0894 -149394.2593 298.9137 -183621.3487 -149294.7516 299.0727 -271.9976 -236.1554 560040.6269 -14.3576 -14.3071 PRESSURE: 575600 227.293 96.6812 -36.2712 96.6806 89.7473 13.7526 -36.2717 13.7537 195.765 GPRESSURE: 575600 242.513 77.6072 -49.2786 62.2814 151.587 -23.1644 -21.9183 17.7436 220.992 PRESSAVG: 575600 -16.1981 16.5612 61.0005 16.5611 -23.6529 -1.35342 61.0004 -1.35344 32.7922 GPRESSAVG: 575600 -14.9928 18.8301 61.4102 15.4922 -25.4537 0.137012 60.9804 -2.56655 33.4422 TIMING: 575600 CPU: 1714.19, 0.00299853/step Wall: 1714.19, 0.00299853/step, 3.6852 hours remaining, 206.683594 MB of memory in use. ENERGY: 575600 724.6067 2117.7696 1940.5793 111.5049 -206794.5488 18056.7261 0.0000 0.0000 34449.8458 -149393.5163 300.8591 -183843.3622 -149298.1832 299.1226 170.9352 205.0307 555722.6404 -2.3529 -2.3348 PRESSURE: 575800 130.923 35.7904 -43.0221 35.7905 -103.004 -40.773 -43.0232 -40.7742 104.436 GPRESSURE: 575800 181.519 25.1142 -29.6512 -6.87317 -49.5677 -9.28757 -130.862 44.7917 84.1343 PRESSAVG: 575800 -62.6601 15.9007 -49.2903 15.9007 35.3564 -44.963 -49.2902 -44.963 54.8126 GPRESSAVG: 575800 -63.866 14.5147 -48.8326 15.5462 36.8735 -43.6983 -50.5986 -44.259 54.1123 TIMING: 575800 CPU: 1714.78, 0.00297146/step Wall: 1714.78, 0.00297146/step, 3.65176 hours remaining, 206.683594 MB of memory in use. ENERGY: 575800 757.1594 2066.1613 1933.5976 115.3653 -206605.4797 17999.2195 0.0000 0.0000 34282.3862 -149451.5904 299.3966 -183733.9766 -149354.6400 298.9847 44.1181 72.0287 556580.8649 9.1696 9.0399 PRESSURE: 576000 225.073 100.829 -228.466 100.828 -281.234 7.41899 -228.466 7.41787 -63.4862 GPRESSURE: 576000 225.002 65.802 -195.114 22.7867 -262.058 24.1503 -194.17 -6.12165 7.98093 PRESSAVG: 576000 -24.4755 -34.3605 -70.3576 -34.3605 53.5087 22.6382 -70.3575 22.6382 4.73237 GPRESSAVG: 576000 -24.7897 -35.5278 -69.0846 -32.9889 53.3029 20.6559 -71.4916 21.8712 4.91333 TIMING: 576000 CPU: 1715.38, 0.0029745/step Wall: 1715.38, 0.0029745/step, 3.65532 hours remaining, 206.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 576000 783.8726 2046.5464 1925.1029 111.5698 -206257.0010 17717.9210 0.0000 0.0000 34190.4250 -149481.5634 298.5935 -183671.9884 -149392.5261 298.2294 -39.8825 -9.6916 554905.8404 11.2552 11.1422 PRESSURE: 576200 -19.0155 54.6748 195.422 54.6761 -94.215 86.3991 195.422 86.3999 -196.125 GPRESSURE: 576200 -93.6323 45.3799 202.867 23.8438 -26.3985 16.381 75.5276 184.313 -95.8419 PRESSAVG: 576200 -5.6514 -25.9856 -28.229 -25.9855 9.5083 18.5266 -28.2291 18.5266 44.5329 GPRESSAVG: 576200 -5.06401 -25.7397 -30.3117 -26.6082 8.49237 17.6762 -25.2973 20.1529 45.2591 TIMING: 576200 CPU: 1715.97, 0.00298318/step Wall: 1715.97, 0.00298318/step, 3.66583 hours remaining, 206.683594 MB of memory in use. ENERGY: 576200 729.8282 2046.6641 1933.3013 106.2833 -206250.3504 17646.1585 0.0000 0.0000 34138.4936 -149649.6213 298.1400 -183788.1149 -149550.5299 297.9388 -103.1183 -71.9576 556231.7197 16.1299 16.2292 LDB: ============= START OF LOAD BALANCING ============== 1719.52 LDB: ============== END OF LOAD BALANCING =============== 1719.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1719.52 LDB: ============= START OF LOAD BALANCING ============== 1719.82 LDB: Largest compute 4796 load 0.029148 is 24.7% of average load 0.118191 LDB: Average compute 0.001738 is 1.5% of average load 0.118191 LDB: TIME 1719.82 LOAD: AVG 0.118191 MAX 0.205346 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.684 MB LDB: TIME 1719.82 LOAD: AVG 0.118191 MAX 0.205346 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: TIME 1719.82 LOAD: AVG 0.118191 MAX 0.205346 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: ============== END OF LOAD BALANCING =============== 1719.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1719.83 PRESSURE: 576400 -81.6547 -66.1362 119.537 -66.1354 -398.271 -39.8472 119.538 -39.8453 64.6909 GPRESSURE: 576400 -30.5098 -130.697 69.6694 15.1765 -374.015 -55.7225 171.489 -22.8765 97.7386 PRESSAVG: 576400 -3.40507 -9.64248 2.81325 -9.64249 8.47573 21.9241 2.81329 21.9241 21.3433 GPRESSAVG: 576400 -3.50133 -7.97702 2.50543 -10.0292 9.40192 24.3604 0.00364715 19.9473 20.4128 TIMING: 576400 CPU: 1716.58, 0.00303843/step Wall: 1716.58, 0.00303843/step, 3.73356 hours remaining, 206.683594 MB of memory in use. ENERGY: 576400 768.4038 2087.8713 1925.2236 116.0089 -206457.8717 17796.9000 0.0000 0.0000 34104.7867 -149658.6773 297.8456 -183763.4640 -149566.6847 297.9200 -138.4115 -102.2619 557192.8508 8.8046 8.7711 PRESSURE: 576600 107.667 -41.1265 -6.8583 -41.1271 -154.239 89.6671 -6.857 89.6681 -220.334 GPRESSURE: 576600 163.88 -58.2643 -19.4867 -106.444 -66.3646 130.606 65.605 55.5442 -270.532 PRESSAVG: 576600 70.5436 -17.1297 2.57048 -17.1296 -39.5956 31.2815 2.57057 31.2816 -31.9609 GPRESSAVG: 576600 71.3624 -17.3711 4.7876 -15.5248 -39.3724 28.9366 2.4623 34.7722 -32.3941 TIMING: 576600 CPU: 1717.18, 0.00299341/step Wall: 1717.18, 0.00299341/step, 3.67807 hours remaining, 206.882812 MB of memory in use. ENERGY: 576600 737.7460 2102.2541 1929.0195 118.9943 -206626.5982 17807.4078 0.0000 0.0000 34127.1076 -149804.0688 298.0405 -183931.1763 -149710.0795 297.9855 -88.9686 -57.6723 558333.6923 -0.3376 -0.1347 PRESSURE: 576800 -367.346 213.378 28.4062 213.377 -306.041 -55.6485 28.4058 -55.6483 -297.602 GPRESSURE: 576800 -366.343 258.851 22.5519 175.524 -284.2 -90.6006 100.478 -47.0262 -229.718 PRESSAVG: 576800 16.3115 2.82834 -2.59297 2.8282 -46.9401 -31.4295 -2.59297 -31.4296 30.149 GPRESSAVG: 576800 16.4025 2.82611 -3.57039 0.864424 -47.8313 -29.8137 -2.20411 -33.4234 31.0197 TIMING: 576800 CPU: 1717.78, 0.0030027/step Wall: 1717.78, 0.0030027/step, 3.68932 hours remaining, 206.882812 MB of memory in use. ENERGY: 576800 753.3819 2072.6059 1932.5681 112.9446 -205956.4082 17435.0581 0.0000 0.0000 33948.1050 -149701.7446 296.4772 -183649.8496 -149605.2060 297.8071 -323.6627 -293.4202 558241.4695 -0.1599 -0.1363 PRESSURE: 577000 -34.2563 103.854 -57.7794 103.854 -108.498 14.0637 -57.7805 14.0647 -155.174 GPRESSURE: 577000 -45.2107 85.1058 -54.5983 84.2802 -72.063 38.6102 -32.1558 -22.5651 -74.5478 PRESSAVG: 577000 -8.58466 60.272 -7.89561 60.2719 -52.6849 37.4668 -7.89558 37.4669 47.6796 GPRESSAVG: 577000 -8.58021 60.7147 -7.46349 59.4267 -51.0262 37.0731 -7.64343 36.1144 46.3101 TIMING: 577000 CPU: 1718.38, 0.00298745/step Wall: 1718.38, 0.00298745/step, 3.67041 hours remaining, 206.882812 MB of memory in use. ENERGY: 577000 712.3944 2146.9716 1924.8258 114.9037 -206344.0991 17795.6018 0.0000 0.0000 33895.1356 -149754.2662 296.0146 -183649.4018 -149659.1487 297.9309 -99.3095 -63.9405 557939.8545 -4.5300 -4.4321 PRESSURE: 577200 7.7298 -16.7752 -103.069 -16.7752 -380.478 44.6599 -103.069 44.6606 83.4588 GPRESSURE: 577200 36.5459 -29.1718 -130.727 -23.2116 -343.256 -47.4915 -88.2678 47.945 114.027 PRESSAVG: 577200 6.05659 18.2559 -9.26748 18.2559 -70.7736 -34.3888 -9.26755 -34.3889 29.3685 GPRESSAVG: 577200 5.47306 18.6126 -9.12453 19.514 -70.4527 -32.8866 -9.65071 -36.2342 29.5859 TIMING: 577200 CPU: 1718.97, 0.00297781/step Wall: 1718.97, 0.00297781/step, 3.6584 hours remaining, 206.882812 MB of memory in use. ENERGY: 577200 769.8038 2052.1403 1927.9322 107.1783 -206566.1672 17763.9653 0.0000 0.0000 33982.0665 -149963.0808 296.7738 -183945.1473 -149868.2247 297.0254 -96.4297 -64.2276 556686.3221 -11.7828 -11.7979 PRESSURE: 577400 -368.471 14.6642 19.0505 14.6643 -2.48827 26.962 19.0492 26.9631 91.3257 GPRESSURE: 577400 -349.404 89.4999 149.27 -59.6655 34.7092 -86.1238 4.55158 86.8161 134.763 PRESSAVG: 577400 -41.3382 51.3345 -5.56888 51.3345 9.02711 2.38069 -5.56894 2.38076 64.2861 GPRESSAVG: 577400 -40.3797 50.4107 -6.27245 49.6933 8.12079 -0.192339 -3.272 6.57781 64.8834 TIMING: 577400 CPU: 1719.57, 0.002985/step Wall: 1719.57, 0.002985/step, 3.66707 hours remaining, 206.882812 MB of memory in use. ENERGY: 577400 731.6236 2126.0351 1909.1455 109.9291 -206650.5804 17761.4086 0.0000 0.0000 34137.5704 -149874.8681 298.1319 -184012.4385 -149773.3152 297.2449 -93.2112 -59.9772 556433.2600 10.6583 10.8748 PRESSURE: 577600 -50.9694 -25.7397 139.66 -25.7394 91.8614 94.3423 139.66 94.342 -21.4216 GPRESSURE: 577600 -12.7997 21.449 142.226 -3.37715 195.327 60.0136 129.642 88.0223 -51.3663 PRESSAVG: 577600 -51.3954 -32.5599 10.8332 -32.56 10.5674 4.0172 10.8333 4.01733 66.2677 GPRESSAVG: 577600 -50.287 -32.7444 11.8736 -32.4681 10.5206 4.46184 5.34921 2.69474 65.1351 TIMING: 577600 CPU: 1720.17, 0.00301621/step Wall: 1720.17, 0.00301622/step, 3.70525 hours remaining, 206.882812 MB of memory in use. ENERGY: 577600 696.9442 2071.4794 1942.8512 114.3652 -206528.6219 17643.3909 0.0000 0.0000 34262.2946 -149797.2964 299.2211 -184059.5910 -149700.9652 298.0265 6.4901 43.7205 555491.4329 8.4799 8.4562 PRESSURE: 577800 245.315 -157.146 32.735 -157.147 -41.1249 -16.082 32.7349 -16.0814 84.077 GPRESSURE: 577800 290.065 -168.217 29.4851 -141.891 33.2919 -24.8698 93.5623 -56.4318 84.9482 PRESSAVG: 577800 3.73472 -44.5175 -4.14464 -44.5175 31.6267 -3.83308 -4.1447 -3.83305 15.0503 GPRESSAVG: 577800 3.19431 -43.8993 -4.82476 -44.7826 31.4631 -3.78042 -0.483853 -2.59447 15.8021 TIMING: 577800 CPU: 1720.77, 0.00298828/step Wall: 1720.77, 0.00298828/step, 3.67076 hours remaining, 206.882812 MB of memory in use. ENERGY: 577800 778.6610 2096.0368 1931.3406 126.9119 -206812.4725 18157.0042 0.0000 0.0000 34162.6119 -149559.9060 298.3506 -183722.5179 -149462.5602 298.2410 96.0890 136.1018 555841.9494 16.8039 16.8198 PRESSURE: 578000 -224.41 -26.6243 -53.0367 -26.6244 -71.2398 25.9077 -53.036 25.9084 -252.377 GPRESSURE: 578000 -143.951 20.8162 -57.9191 -17.7874 -61.8482 36.5152 -7.73656 -5.52512 -248.095 PRESSAVG: 578000 5.74563 -29.4773 -18.993 -29.4773 0.575379 4.89336 -18.9929 4.89338 -27.2156 GPRESSAVG: 578000 5.57444 -31.1898 -18.7473 -27.8922 -0.310373 4.89511 -19.7235 5.75186 -26.4893 TIMING: 578000 CPU: 1721.37, 0.00298409/step Wall: 1721.37, 0.00298409/step, 3.66545 hours remaining, 206.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 578000 740.5576 2036.2095 1930.9632 110.9887 -206118.0277 17507.5327 0.0000 0.0000 34222.0826 -149569.6934 298.8700 -183791.7760 -149469.9728 298.7974 -182.6757 -151.2982 556753.3866 -6.9649 -7.0751 PRESSURE: 578200 216.145 159.207 8.07809 159.207 39.5328 -23.7826 8.07894 -23.784 189.275 GPRESSURE: 578200 257.085 69.8344 38.1686 210.243 57.9602 -82.9998 25.6539 -30.095 224.824 PRESSAVG: 578200 0.0242547 -23.6085 -29.5824 -23.6086 73.5953 4.21583 -29.5824 4.21588 -20.9637 GPRESSAVG: 578200 0.124162 -23.327 -31.0868 -22.6366 73.3436 2.56531 -28.5704 2.49675 -21.0089 TIMING: 578200 CPU: 1721.96, 0.00297099/step Wall: 1721.96, 0.00297099/step, 3.6492 hours remaining, 206.882812 MB of memory in use. ENERGY: 578200 720.4188 2032.2017 1934.5573 116.4361 -206623.1116 18144.0984 0.0000 0.0000 34269.7983 -149405.6010 299.2867 -183675.3993 -149311.7471 298.1192 148.3174 179.9561 555636.4518 17.5520 17.4863 PRESSURE: 578400 -17.7016 -144.849 -83.721 -144.849 -40.0731 97.4083 -83.7204 97.4095 -168.195 GPRESSURE: 578400 -2.19784 -6.99902 -137.756 -112.529 18.2326 55.852 -57.0678 59.6407 -148.745 PRESSAVG: 578400 2.71273 -50.4119 -20.5134 -50.4119 -14.61 12.5566 -20.5135 12.5565 -8.21002 GPRESSAVG: 578400 2.22736 -49.81 -17.7222 -49.6021 -13.6236 13.0903 -20.262 14.9232 -8.13972 TIMING: 578400 CPU: 1722.56, 0.00298412/step Wall: 1722.56, 0.00298412/step, 3.66516 hours remaining, 206.882812 MB of memory in use. ENERGY: 578400 729.0533 2072.2307 1942.1947 106.7512 -206298.5113 17809.3077 0.0000 0.0000 34450.4651 -149188.5087 300.8645 -183638.9738 -149096.0354 299.4075 -75.3233 -44.2367 557358.3261 -6.7024 -6.5120 PRESSURE: 578600 30.4517 122.458 -71.1253 122.459 -98.637 70.0277 -71.124 70.0276 106.619 GPRESSURE: 578600 37.9736 62.0958 -36.286 178.706 -92.5334 157.591 -93.4473 36.7707 180.04 PRESSAVG: 578600 41.851 31.1602 3.90217 31.1602 -19.3349 -9.86331 3.90219 -9.86336 2.371 GPRESSAVG: 578600 41.0873 29.3153 1.32394 30.4272 -18.6305 -7.02798 3.93683 -13.4549 1.81197 TIMING: 578600 CPU: 1723.15, 0.00298274/step Wall: 1723.15, 0.00298274/step, 3.6633 hours remaining, 206.882812 MB of memory in use. ENERGY: 578600 732.8514 2039.6494 1932.4898 105.1347 -206184.0715 17777.8009 0.0000 0.0000 34459.7285 -149136.4168 300.9454 -183596.1453 -149036.6819 299.7143 12.8113 41.8267 556265.4791 8.2957 8.0896 PRESSURE: 578800 -76.3024 125.052 -76.2381 125.052 23.2301 -11.4844 -76.2375 -11.485 197.364 GPRESSURE: 578800 -34.343 146.771 -68.6845 106.471 50.2687 -134.533 -102.365 74.2983 216.88 PRESSAVG: 578800 -35.5063 40.8939 -34.0329 40.8939 -51.7869 10.4518 -34.0329 10.4518 102.393 GPRESSAVG: 578800 -34.4117 43.9425 -32.1833 40.2164 -52.5853 8.54079 -34.7553 10.0096 102.545 TIMING: 578800 CPU: 1723.75, 0.00300086/step Wall: 1723.75, 0.00300086/step, 3.68539 hours remaining, 206.882812 MB of memory in use. ENERGY: 578800 764.6746 2055.1252 1949.6740 98.2971 -205994.8565 17759.9744 0.0000 0.0000 34334.0685 -149033.0427 299.8480 -183367.1112 -148946.5093 299.6875 48.0973 77.6018 556441.6883 5.0333 5.1826 PRESSURE: 579000 -30.0187 -21.4662 9.37379 -21.4665 -137.903 -247.941 9.37233 -247.941 -190.243 GPRESSURE: 579000 4.48833 40.2662 -5.5919 -70.2044 -135.246 -287.607 -52.464 -202.471 -124.931 PRESSAVG: 579000 37.549 -17.0623 32.2259 -17.0623 11.2871 -50.013 32.2258 -50.013 -14.3046 GPRESSAVG: 579000 38.0047 -15.9205 29.9105 -16.8816 11.0223 -50.4897 31.7133 -47.5108 -14.4762 TIMING: 579000 CPU: 1724.35, 0.0029602/step Wall: 1724.35, 0.0029602/step, 3.63529 hours remaining, 206.882812 MB of memory in use. ENERGY: 579000 731.2880 2040.6414 1952.5115 94.3205 -206370.2483 17842.9036 0.0000 0.0000 34357.1532 -149351.4301 300.0496 -183708.5833 -149254.9748 299.2989 -119.3885 -85.2295 558931.6815 11.5105 11.5169 PRESSURE: 579200 120.603 74.2577 -143.872 74.2585 -31.8342 35.467 -143.871 35.467 236.92 GPRESSURE: 579200 151.43 -11.3465 -114.186 98.4444 19.5923 21.5876 -125.923 32.0526 252.323 PRESSAVG: 579200 -49.5267 14.4175 12.1391 14.4174 7.28712 -21.5487 12.1392 -21.5488 14.376 GPRESSAVG: 579200 -49.5675 14.6727 12.5635 13.1639 8.26987 -20.4629 14.0449 -21.4709 13.6783 TIMING: 579200 CPU: 1724.94, 0.0029583/step Wall: 1724.94, 0.0029583/step, 3.63279 hours remaining, 206.882812 MB of memory in use. ENERGY: 579200 711.6277 2004.0128 1950.0787 113.9200 -206055.5574 17973.7225 0.0000 0.0000 34026.4417 -149275.7540 297.1614 -183302.1957 -149181.6751 298.6789 108.5627 141.1152 559853.7062 -9.2879 -9.2065 PRESSURE: 579400 -51.5591 -12.8658 -39.6086 -12.8654 148.918 -196.113 -39.6082 -196.113 -33.9143 GPRESSURE: 579400 -2.11831 -24.6579 -73.8832 10.6135 150.343 -207.571 0.228382 -188.587 19.1398 PRESSAVG: 579400 -82.6099 -29.7885 -57.123 -29.7886 90.0498 -3.37781 -57.1229 -3.37788 14.798 GPRESSAVG: 579400 -82.711 -31.0442 -55.5516 -28.9727 90.6283 -3.09956 -59.7592 -2.10432 13.9098 TIMING: 579400 CPU: 1725.53, 0.00295638/step Wall: 1725.53, 0.00295638/step, 3.63027 hours remaining, 206.882812 MB of memory in use. ENERGY: 579400 755.6758 2004.9789 1916.0522 103.3059 -206215.8347 18036.5890 0.0000 0.0000 34107.8439 -149291.3890 297.8723 -183399.2328 -149191.1666 298.0264 21.1482 55.7880 560172.5104 7.4126 7.2757 PRESSURE: 579600 25.2638 18.7752 162.909 18.7738 -131.529 -116.009 162.909 -116.008 -218.279 GPRESSURE: 579600 63.4916 61.3758 233.954 16.9749 -48.5101 -50.4478 44.7449 -140.504 -236.804 PRESSAVG: 579600 -43.8512 -39.6174 -55.9122 -39.6173 38.3602 15.9387 -55.9122 15.9386 29.6684 GPRESSAVG: 579600 -43.2699 -39.4511 -56.7558 -40.952 37.4567 16.85 -53.8674 13.8939 30.5147 TIMING: 579600 CPU: 1726.12, 0.00297377/step Wall: 1726.12, 0.00297377/step, 3.65146 hours remaining, 206.882812 MB of memory in use. ENERGY: 579600 747.5092 2044.3377 1941.5183 112.5142 -205890.9040 17620.6561 0.0000 0.0000 34098.3284 -149326.0400 297.7892 -183424.3684 -149231.9956 298.2676 -108.1814 -73.9408 557731.9152 8.0592 8.2339 PRESSURE: 579800 -74.4912 -30.8007 62.8097 -30.8013 -119.367 117.586 62.81 117.586 -102.13 GPRESSURE: 579800 21.504 44.7018 38.7902 -23.7529 -131.916 153.22 154.803 -12.5007 -90.2442 PRESSAVG: 579800 41.1875 -35.362 41.8652 -35.362 -36.9149 -38.6823 41.8653 -38.6823 6.72052 GPRESSAVG: 579800 40.591 -36.0564 41.8454 -33.4835 -37.5956 -40.3668 40.8502 -37.7439 7.69874 TIMING: 579800 CPU: 1726.73, 0.0030046/step Wall: 1726.73, 0.0030046/step, 3.68915 hours remaining, 206.882812 MB of memory in use. ENERGY: 579800 772.7424 2044.5900 1924.2232 102.6580 -205976.8365 17677.6742 0.0000 0.0000 34200.0781 -149254.8706 298.6778 -183454.9487 -149152.4756 299.1867 -98.6627 -66.8853 559479.7071 3.6644 3.5647 PRESSURE: 580000 -264.787 -44.1115 87.6557 -44.1105 43.8173 -32.6043 87.6562 -32.6046 -192.815 GPRESSURE: 580000 -209.377 -2.08563 -43.3592 -87.9117 41.5807 -50.1835 205.288 0.18622 -145.571 PRESSAVG: 580000 15.4248 -41.4705 38.8255 -41.4705 -31.2518 -17.0647 38.8254 -17.0647 26.8195 GPRESSAVG: 580000 15.3807 -39.9808 36.6721 -42.9653 -29.6945 -15.253 39.9794 -17.3061 25.2917 TIMING: 580000 CPU: 1727.32, 0.00299032/step Wall: 1727.32, 0.00299032/step, 3.67145 hours remaining, 206.882812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 580000 790.9488 1990.4463 1909.7789 113.6088 -205652.6736 17466.3217 0.0000 0.0000 34286.2544 -149095.3146 299.4304 -183381.5691 -148992.4659 298.7398 -137.9285 -104.4558 558678.3889 3.6642 3.6593 PRESSURE: 580200 167.544 -128.515 -62.0632 -128.515 186.43 127.392 -62.0629 127.394 -143.876 GPRESSURE: 580200 264.972 -93.683 -30.4992 -76.704 210.509 199.232 -57.0315 95.9668 -166.113 PRESSAVG: 580200 -25.3788 -9.4023 36.2006 -9.40229 32.3408 15.7444 36.2005 15.7444 27.9249 GPRESSAVG: 580200 -24.9353 -10.8146 37.0391 -7.43652 31.5575 15.9741 37.9648 14.6494 28.2166 TIMING: 580200 CPU: 1727.92, 0.00298368/step Wall: 1727.92, 0.00298368/step, 3.66312 hours remaining, 206.882812 MB of memory in use. ENERGY: 580200 752.9959 2027.3824 1927.7764 116.4192 -206449.8286 18107.0445 0.0000 0.0000 34470.9302 -149047.2799 301.0432 -183518.2101 -148948.7963 299.0985 70.0326 103.1228 558766.8849 11.6289 11.6129 LDB: ============= START OF LOAD BALANCING ============== 1731.47 LDB: ============== END OF LOAD BALANCING =============== 1731.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1731.47 LDB: ============= START OF LOAD BALANCING ============== 1731.77 LDB: Largest compute 4796 load 0.028684 is 24.3% of average load 0.118102 LDB: Average compute 0.001733 is 1.5% of average load 0.118102 LDB: TIME 1731.78 LOAD: AVG 0.118102 MAX 0.208238 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.164 MB LDB: TIME 1731.78 LOAD: AVG 0.118102 MAX 0.208238 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.367 MB LDB: TIME 1731.78 LOAD: AVG 0.118102 MAX 0.208238 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.367 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1731.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1731.78 PRESSURE: 580400 69.962 -241.049 -24.8345 -241.049 201.029 95.3925 -24.8342 95.3923 -53.2843 GPRESSURE: 580400 90.9683 -243.447 -82.4537 -236.41 258.004 158.394 8.19398 -30.3215 -28.8198 PRESSAVG: 580400 -34.3553 -44.1025 5.44047 -44.1025 90.4861 -1.64809 5.44046 -1.64811 -1.41359 GPRESSAVG: 580400 -35.3545 -44.9636 5.26036 -45.4094 91.2193 -2.66383 5.03804 -2.37175 -1.63654 TIMING: 580400 CPU: 1728.53, 0.00305848/step Wall: 1728.53, 0.00305848/step, 3.7548 hours remaining, 208.734375 MB of memory in use. ENERGY: 580400 737.1418 2024.0090 1932.2190 98.9294 -206024.5312 17809.8186 0.0000 0.0000 34193.5979 -149228.8155 298.6212 -183422.4134 -149136.7346 299.2541 72.5691 106.7174 557820.6151 18.2391 18.0761 PRESSURE: 580600 -234.341 -31.7414 -3.54014 -31.7421 3.51514 -92.0382 -3.5393 -92.0369 -80.0435 GPRESSURE: 580600 -224.895 -30.7991 -40.4914 -16.1657 44.0395 -87.3546 90.5525 -136.341 -29.3355 PRESSAVG: 580600 14.6401 -17.5641 1.27452 -17.5641 11.8396 -2.16861 1.27455 -2.16852 -10.172 GPRESSAVG: 580600 14.6947 -15.807 3.67866 -18.0842 10.8967 -2.29194 0.0278998 -1.51498 -9.8945 TIMING: 580600 CPU: 1729.13, 0.00297478/step Wall: 1729.13, 0.00297478/step, 3.65187 hours remaining, 208.937500 MB of memory in use. ENERGY: 580600 726.3959 2060.4070 1924.7537 109.1259 -205943.3218 17588.9055 0.0000 0.0000 34558.0749 -148975.6590 301.8043 -183533.7339 -148876.0329 299.5053 -103.6231 -70.0638 557716.6838 5.4359 5.2323 PRESSURE: 580800 -27.4314 -53.5307 -63.1796 -53.5301 -132.723 -63.1784 -63.1796 -63.1784 17.2847 GPRESSURE: 580800 14.541 -64.9398 44.7769 -80.1097 -39.3094 -57.5601 -56.6088 -72.1654 -27.254 PRESSAVG: 580800 23.5471 -50.5937 25.1171 -50.5937 30.9761 -16.6525 25.1171 -16.6525 -38.9885 GPRESSAVG: 580800 24.4927 -50.0952 23.8693 -51.1273 31.5528 -13.969 25.5492 -18.6451 -39.8616 TIMING: 580800 CPU: 1729.72, 0.00296973/step Wall: 1729.72, 0.00296973/step, 3.64551 hours remaining, 209.062500 MB of memory in use. ENERGY: 580800 742.1837 2087.6614 1923.2658 113.0969 -205673.7623 17517.3576 0.0000 0.0000 34339.1602 -148951.0367 299.8924 -183290.1969 -148853.1214 300.2407 -47.6233 -17.3408 558461.0080 5.1782 5.3946 PRESSURE: 581000 89.031 136.353 223.219 136.354 186.271 32.0746 223.219 32.0744 -92.0505 GPRESSURE: 581000 75.4288 79.4655 185.176 108.433 194.389 11.2447 293.356 80.4021 16.0981 PRESSAVG: 581000 24.4448 3.84985 13.9004 3.84991 22.1174 -40.4283 13.9003 -40.4282 -49.96 GPRESSAVG: 581000 23.0825 3.76918 13.6112 5.36562 20.8913 -43.0595 14.0125 -38.6376 -47.6512 TIMING: 581000 CPU: 1730.31, 0.00297235/step Wall: 1730.31, 0.00297235/step, 3.64856 hours remaining, 209.062500 MB of memory in use. ENERGY: 581000 729.8468 2063.7430 1935.3832 105.4731 -205934.6216 17888.9816 0.0000 0.0000 34382.8275 -148828.3664 300.2738 -183211.1939 -148732.3766 299.3156 61.0839 95.3053 559961.6516 -1.1326 -1.2258 PRESSURE: 581200 70.7173 115.704 -188.246 115.703 -10.6815 -89.5087 -188.245 -89.5088 -162.37 GPRESSURE: 581200 118.642 191.226 -212.439 78.3122 -9.6702 -19.835 -138.848 -84.0087 -106.029 PRESSAVG: 581200 29.4923 10.1781 44.7372 10.1781 26.3965 3.67721 44.7372 3.67725 -12.4703 GPRESSAVG: 581200 30.5595 10.4564 42.7024 10.5388 26.9149 3.23029 45.5942 3.77917 -14.2195 TIMING: 581200 CPU: 1730.91, 0.00299063/step Wall: 1730.91, 0.00299063/step, 3.67084 hours remaining, 209.062500 MB of memory in use. ENERGY: 581200 746.6076 2114.0273 1895.0711 100.3754 -205831.0651 17692.1569 0.0000 0.0000 34351.9747 -148930.8520 300.0043 -183282.8268 -148833.1419 299.8632 -34.1113 0.9812 557970.9423 14.4729 14.4183 PRESSURE: 581400 -389.758 35.7163 236.775 35.7157 57.3016 37.6862 236.776 37.6852 -74.2032 GPRESSURE: 581400 -358.245 26.6088 279.231 24.4785 115.741 113.624 237.361 11.0619 -57.2146 PRESSAVG: 581400 -43.4554 11.3508 43.4738 11.3508 35.0458 38.6571 43.4739 38.6571 -4.86775 GPRESSAVG: 581400 -42.5352 12.0448 43.3219 10.7556 34.4949 40.888 45.2195 38.5717 -4.78664 TIMING: 581400 CPU: 1731.52, 0.00302242/step Wall: 1731.52, 0.00302242/step, 3.70969 hours remaining, 209.062500 MB of memory in use. ENERGY: 581400 751.4106 2104.4683 1954.4016 117.7462 -205576.7703 17545.6133 0.0000 0.0000 34090.0258 -149013.1045 297.7167 -183103.1303 -148927.0400 299.5237 -135.5533 -99.9060 559288.3536 -4.4258 -4.2756 PRESSURE: 581600 63.0234 183.353 -73.445 183.354 50.1643 111.057 -73.4456 111.058 46.0406 GPRESSURE: 581600 123.926 197.757 -138.776 161.826 100.181 46.1927 -10.0891 73.2958 38.3859 PRESSAVG: 581600 -42.9944 -15.8833 25.5002 -15.8834 -20.2036 23.2995 25.5001 23.2996 40.2709 GPRESSAVG: 581600 -44.0278 -16.4718 25.0171 -15.0739 -19.668 23.2784 22.3204 19.3844 40.6812 TIMING: 581600 CPU: 1732.12, 0.00301705/step Wall: 1732.12, 0.00301705/step, 3.70292 hours remaining, 209.062500 MB of memory in use. ENERGY: 581600 764.6412 2092.4916 1941.5636 104.9955 -206171.8039 17788.0527 0.0000 0.0000 34448.2309 -149031.8284 300.8450 -183480.0593 -148934.1246 300.2409 53.0761 87.4976 557797.8552 -7.6423 -7.6716 PRESSURE: 581800 -111.031 206.956 -35.0738 206.957 -217.456 108.235 -35.0743 108.234 -250.495 GPRESSURE: 581800 -89.0466 173.352 -54.852 212.737 -219.144 174.649 -46.3976 87.8541 -189.724 PRESSAVG: 581800 8.80702 68.5331 -8.83165 68.5331 -12.4093 58.9011 -8.83178 58.9012 -2.63757 GPRESSAVG: 581800 8.2906 67.035 -5.79216 67.1838 -12.2951 56.0723 -9.11912 62.2075 -2.58328 TIMING: 581800 CPU: 1732.71, 0.0029592/step Wall: 1732.71, 0.0029592/step, 3.63176 hours remaining, 209.062500 MB of memory in use. ENERGY: 581800 781.8050 2101.2912 1942.8079 110.3727 -205660.3233 17564.1545 0.0000 0.0000 34112.3851 -149047.5070 297.9119 -183159.8921 -148954.9940 299.2661 -192.9938 -165.9717 559472.0210 -2.0799 -2.1959 PRESSURE: 582000 -40.3927 -100.786 208.029 -100.785 -95.5561 -141.067 208.03 -141.066 -143.16 GPRESSURE: 582000 -39.8632 -64.5936 142.717 -155.962 -28.9316 -82.1708 237.317 -162.069 -108.509 PRESSAVG: 582000 -10.7841 12.2126 -5.18946 12.2127 -46.6702 38.5296 -5.18943 38.5296 65.7306 GPRESSAVG: 582000 -9.65803 15.0105 -5.59729 10.6525 -48.0907 40.0076 -4.0249 39.468 66.2994 TIMING: 582000 CPU: 1733.31, 0.00296163/step Wall: 1733.31, 0.00296163/step, 3.63458 hours remaining, 209.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 582000 773.2356 2049.2478 1961.6014 137.3944 -206104.8013 17702.1372 0.0000 0.0000 34291.2880 -149189.8969 299.4743 -183481.1850 -149097.4230 299.0479 -93.0363 -59.1011 558265.4723 2.7587 2.8502 PRESSURE: 582200 274.349 48.5956 -90.2313 48.5951 -4.4718 105.843 -90.2312 105.844 -62.9053 GPRESSURE: 582200 259.002 37.8587 -166.165 14.795 112.384 61.6389 47.8504 95.2636 -85.8274 PRESSAVG: 582200 36.867 24.2062 -22.4345 24.2063 -31.1647 31.0204 -22.4345 31.0203 0.593638 GPRESSAVG: 582200 36.8741 23.2534 -24.4951 26.0526 -30.0644 30.212 -20.8128 30.4969 -0.636091 TIMING: 582200 CPU: 1733.9, 0.0029637/step Wall: 1733.9, 0.0029637/step, 3.63695 hours remaining, 209.062500 MB of memory in use. ENERGY: 582200 751.4186 2044.6243 1949.1489 109.6679 -206002.4314 17921.9712 0.0000 0.0000 33982.4886 -149243.1118 296.7775 -183225.6004 -149148.5470 298.5742 68.9906 95.1862 558645.4272 2.0987 2.0579 PRESSURE: 582400 423.637 57.8319 68.576 57.832 71.351 58.4303 68.5785 58.4305 148.113 GPRESSURE: 582400 476.804 -42.5531 -37.2298 53.0262 157.535 31.4607 57.0264 46.0779 110.844 PRESSAVG: 582400 3.79478 70.8015 13.3946 70.8017 -27.9056 -13.5098 13.3946 -13.5098 14.8687 GPRESSAVG: 582400 3.05102 68.54 13.5252 70.3761 -27.7001 -10.1833 11.1306 -15.2356 15.2129 TIMING: 582400 CPU: 1734.49, 0.00296102/step Wall: 1734.49, 0.00296102/step, 3.6335 hours remaining, 209.062500 MB of memory in use. ENERGY: 582400 756.0237 2045.6909 1939.7240 118.2021 -206481.3907 18158.6000 0.0000 0.0000 34249.0359 -149214.1141 299.1053 -183463.1499 -149118.1031 298.7075 214.3668 248.3941 558127.3062 -3.0807 -3.1454 PRESSURE: 582600 155.793 140.905 -122.783 140.905 224.99 93.689 -122.783 93.6881 35.0267 GPRESSURE: 582600 235.064 204.678 -34.9175 119.242 250.171 146.232 -92.6145 133.696 29.0555 PRESSAVG: 582600 61.1334 2.14865 6.37143 2.1486 -42.4898 -21.6901 6.37139 -21.6901 -9.21378 GPRESSAVG: 582600 61.1793 5.38027 8.50012 3.60165 -42.7816 -24.0069 5.26904 -20.6258 -8.98049 TIMING: 582600 CPU: 1735.08, 0.00296083/step Wall: 1735.08, 0.00296083/step, 3.63311 hours remaining, 209.062500 MB of memory in use. ENERGY: 582600 715.2087 2169.8334 1917.0309 92.8039 -206503.6579 18128.8496 0.0000 0.0000 34394.6497 -149085.2817 300.3770 -183479.9313 -148984.0245 299.5498 138.6033 171.4302 557822.3002 3.1433 3.1391 PRESSURE: 582800 -224.346 31.4161 107.302 31.4161 -451.635 49.0797 107.302 49.0802 -235.043 GPRESSURE: 582800 -191.956 63.8613 44.6007 50.6519 -398.109 67.1405 55.3723 22.9189 -211.573 PRESSAVG: 582800 0.691959 6.76909 24.1535 6.76919 18.981 -17.3274 24.1535 -17.3274 25.299 GPRESSAVG: 582800 0.830617 6.66379 22.3426 4.95747 18.6378 -17.5995 25.2055 -18.4054 25.3543 TIMING: 582800 CPU: 1735.67, 0.0029531/step Wall: 1735.67, 0.0029531/step, 3.62345 hours remaining, 209.062500 MB of memory in use. ENERGY: 582800 743.6466 2054.0826 1911.5323 114.1073 -205863.4168 17431.8202 0.0000 0.0000 34368.2612 -149239.9665 300.1466 -183608.2278 -149137.3811 299.6077 -303.6750 -267.2126 558392.3863 14.9907 14.9409 PRESSURE: 583000 -173.362 48.4012 52.1708 48.3999 40.043 -86.3864 52.1711 -86.3843 361.472 GPRESSURE: 583000 -151.445 107.898 38.3093 76.185 113.038 -97.4575 64.0019 -59.8883 364.451 PRESSAVG: 583000 -12.1487 -37.5819 16.7971 -37.5819 17.3149 -26.727 16.7972 -26.7269 17.2587 GPRESSAVG: 583000 -12.0813 -38.4154 16.7014 -35.9789 17.2888 -26.8264 18.424 -24.2966 16.5228 TIMING: 583000 CPU: 1736.26, 0.00295986/step Wall: 1736.26, 0.00295986/step, 3.63159 hours remaining, 209.062500 MB of memory in use. ENERGY: 583000 759.3434 2033.5140 1950.7408 121.1863 -206460.7727 18071.0089 0.0000 0.0000 34319.4884 -149205.4909 299.7206 -183524.9793 -149111.2274 298.8674 76.0510 108.6814 556642.7459 7.4750 7.2434 PRESSURE: 583200 -94.1346 119.528 34.1689 119.527 231.619 -40.8968 34.1683 -40.8974 34.4243 GPRESSURE: 583200 -92.8341 81.1727 45.6465 60.0664 268.855 -8.54297 55.8313 -29.2429 88.4176 PRESSAVG: 583200 -50.3665 33.308 20.5352 33.3081 26.8002 -41.5873 20.5352 -41.5872 27.204 GPRESSAVG: 583200 -50.2756 33.5376 22.4213 31.5418 26.9384 -40.992 19.4527 -43.2755 27.5948 TIMING: 583200 CPU: 1736.86, 0.00297191/step Wall: 1736.86, 0.00297191/step, 3.64621 hours remaining, 209.062500 MB of memory in use. ENERGY: 583200 729.7999 2096.7322 1952.0617 108.5346 -206584.3883 17977.1568 0.0000 0.0000 34470.9462 -149249.1568 301.0433 -183720.1031 -149158.8889 299.0391 57.3028 88.1460 557612.9715 1.2125 1.4192 PRESSURE: 583400 -93.8585 52.2541 74.3625 52.2536 96.4086 -72.6109 74.3625 -72.6117 -6.50491 GPRESSURE: 583400 -106.62 175.647 84.8669 4.32046 153.545 -66.6935 78.6341 -45.304 51.0209 PRESSAVG: 583400 -10.4261 -10.2652 22.9536 -10.2652 -9.85701 -53.2444 22.9535 -53.2443 1.47796 GPRESSAVG: 583400 -10.9328 -10.0785 22.0921 -7.33159 -9.97067 -56.207 21.1787 -51.8597 2.56458 TIMING: 583400 CPU: 1737.46, 0.00297944/step Wall: 1737.46, 0.00297944/step, 3.65528 hours remaining, 209.062500 MB of memory in use. ENERGY: 583400 730.5540 2095.8294 1935.5347 115.6250 -206227.2133 17757.4722 0.0000 0.0000 34372.0856 -149220.1123 300.1800 -183592.1980 -149119.2925 299.2426 -1.3183 32.6485 558388.2858 -6.2684 -6.1130 PRESSURE: 583600 -89.1007 -45.8235 21.6587 -45.8236 -168.294 -86.4222 21.6584 -86.4234 24.2462 GPRESSURE: 583600 -73.3977 -55.9354 -0.0878008 -22.9877 -124.115 -177.329 135.299 -102.043 64.8932 PRESSAVG: 583600 6.7693 53.4105 -48.1344 53.4104 -39.9073 53.559 -48.1344 53.559 23.662 GPRESSAVG: 583600 6.03732 51.4009 -47.132 52.6536 -38.4708 56.8656 -47.3838 49.9709 22.5681 TIMING: 583600 CPU: 1738.05, 0.0029777/step Wall: 1738.05, 0.0029777/step, 3.65297 hours remaining, 209.062500 MB of memory in use. ENERGY: 583600 748.3351 2082.9416 1931.0047 113.4047 -205984.6426 17740.8314 0.0000 0.0000 34259.4890 -149108.6361 299.1966 -183368.1251 -149010.2539 299.5062 -77.7161 -44.2064 556859.5572 -3.1587 -3.2885 PRESSURE: 583800 2.40034 1.15968 -0.0217217 1.15923 89.1612 -42.1166 -0.0218263 -42.1174 -83.6863 GPRESSURE: 583800 76.3506 20.8749 30.8033 -142.749 90.735 -46.6764 -13.1586 -55.5296 -72.9847 PRESSAVG: 583800 -23.4515 25.6417 24.264 25.6418 11.3862 27.517 24.264 27.5169 58.0429 GPRESSAVG: 583800 -22.776 27.3275 26.3152 25.2243 10.2702 26.3221 22.9031 30.2573 58.4714 TIMING: 583800 CPU: 1738.65, 0.00299802/step Wall: 1738.65, 0.00299802/step, 3.67774 hours remaining, 209.062500 MB of memory in use. ENERGY: 583800 753.2003 2125.7325 1945.9183 117.0234 -206200.7861 17864.2915 0.0000 0.0000 34212.3298 -149182.2904 298.7848 -183394.6202 -149094.4863 299.1582 2.6251 31.3670 558213.9935 15.3258 15.3219 PRESSURE: 584000 -138.568 74.4662 -20.9878 74.4665 -196.124 -41.4222 -20.9876 -41.4227 -359.591 GPRESSURE: 584000 -113.557 112.978 -122.099 91.7782 -166.32 -45.0485 75.253 -5.75391 -312.761 PRESSAVG: 584000 66.3945 -6.20863 -0.517924 -6.20874 -41.436 -1.33086 -0.517932 -1.33087 -20.1381 GPRESSAVG: 584000 66.5141 -6.73209 -2.32252 -7.00151 -40.4492 -0.629744 -0.191636 -2.13539 -21.037 TIMING: 584000 CPU: 1739.25, 0.00297421/step Wall: 1739.25, 0.00297421/step, 3.64837 hours remaining, 209.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 584000 779.4377 2111.0014 1925.3385 128.0760 -205806.0974 17441.3239 0.0000 0.0000 34156.8624 -149264.0576 298.3004 -183420.9199 -149170.4196 299.1549 -231.4278 -197.5458 557738.9325 1.6068 1.6760 PRESSURE: 584200 79.6218 100.78 -81.6894 100.78 -106.972 54.8521 -81.6891 54.8532 111.395 GPRESSURE: 584200 142.968 192.332 -77.4743 99.7846 -114.75 85.3329 -125.974 66.1989 154.496 PRESSAVG: 584200 0.908256 -0.874473 25.0841 -0.874487 23.8427 38.4663 25.084 38.4663 -52.78 GPRESSAVG: 584200 0.504539 -1.56535 22.5186 0.145934 24.4364 37.1445 26.2787 38.99 -52.3632 TIMING: 584200 CPU: 1739.84, 0.00295887/step Wall: 1739.84, 0.00295887/step, 3.62938 hours remaining, 209.062500 MB of memory in use. ENERGY: 584200 731.4447 2102.3785 1908.5335 110.5039 -206425.4246 17971.9637 0.0000 0.0000 34294.7334 -149305.8668 299.5044 -183600.6002 -149207.7052 299.0153 28.0148 60.9046 557088.9517 -9.3430 -9.1408 LDB: ============= START OF LOAD BALANCING ============== 1743.38 LDB: ============== END OF LOAD BALANCING =============== 1743.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1743.39 LDB: ============= START OF LOAD BALANCING ============== 1743.68 LDB: Largest compute 4796 load 0.030253 is 25.6% of average load 0.118101 LDB: Average compute 0.001732 is 1.5% of average load 0.118101 LDB: TIME 1743.69 LOAD: AVG 0.118101 MAX 0.207563 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.602 MB LDB: TIME 1743.69 LOAD: AVG 0.118101 MAX 0.207563 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.672 MB LDB: TIME 1743.69 LOAD: AVG 0.118101 MAX 0.207563 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.672 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1743.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1743.69 PRESSURE: 584400 -128.198 -40.5512 6.7609 -40.5505 -320.699 -150.548 6.75982 -150.547 -220.189 GPRESSURE: 584400 -40.5164 26.897 59.8529 -53.9592 -311.182 -204.77 -5.95887 -101.162 -224.45 PRESSAVG: 584400 -6.26253 37.1819 17.9304 37.1819 40.1212 10.1923 17.9303 10.1924 -11.8077 GPRESSAVG: 584400 -5.81594 38.0102 19.5303 35.8263 38.8772 8.97581 17.497 9.44058 -10.8846 TIMING: 584400 CPU: 1740.44, 0.00302916/step Wall: 1740.44, 0.00302916/step, 3.71543 hours remaining, 207.253906 MB of memory in use. ENERGY: 584400 749.6997 2066.1472 1953.9947 107.1481 -205870.1888 17499.3598 0.0000 0.0000 34299.8837 -149193.9556 299.5494 -183493.8392 -149094.1432 299.4952 -223.0288 -192.0495 558828.0669 7.3503 7.3922 PRESSURE: 584600 -111.411 100.963 214.994 100.962 -174.239 -20.1911 214.994 -20.1911 47.0435 GPRESSURE: 584600 -38.2723 63.0298 89.6959 159.007 -153.318 -13.1178 257.954 -34.8032 41.7049 PRESSAVG: 584600 -51.618 2.20014 18.8424 2.20017 32.35 16.6515 18.8425 16.6516 -34.2719 GPRESSAVG: 584600 -49.9697 3.19616 17.6494 0.768742 32.7239 18.668 20.6798 15.5883 -36.1308 TIMING: 584600 CPU: 1741.04, 0.00298997/step Wall: 1741.04, 0.00298997/step, 3.6672 hours remaining, 207.253906 MB of memory in use. ENERGY: 584600 775.2149 2140.4565 1940.1326 118.9300 -205877.0634 17559.1554 0.0000 0.0000 34050.5213 -149292.6528 297.3717 -183343.1742 -149200.2492 299.6663 -79.5356 -49.9619 557668.7607 -17.8466 -17.7922 PRESSURE: 584800 44.7581 62.8743 -192.693 62.8738 -117.962 -33.7168 -192.692 -33.7166 -252.314 GPRESSURE: 584800 46.0627 137.346 -344.633 100.922 -89.9816 38.2352 -194.742 -14.2977 -174.922 PRESSAVG: 584800 10.6047 3.50256 -38.9956 3.50246 41.963 11.5718 -38.9958 11.5718 -53.8725 GPRESSAVG: 584800 10.1953 1.33067 -37.3739 4.25234 40.197 10.38 -40.952 12.0107 -51.7697 TIMING: 584800 CPU: 1741.64, 0.00300422/step Wall: 1741.64, 0.00300422/step, 3.68451 hours remaining, 207.253906 MB of memory in use. ENERGY: 584800 777.4000 2051.8979 1968.7069 121.2007 -206332.6101 17771.7016 0.0000 0.0000 34260.4046 -149381.2983 299.2046 -183641.7030 -149278.7365 299.2282 -108.5061 -72.9469 557457.8412 -0.4349 -0.4591 PRESSURE: 585000 -58.6654 30.0562 -94.692 30.0563 -91.9387 -4.57516 -94.6926 -4.57419 211.254 GPRESSURE: 585000 1.26721 -6.01862 -134.695 54.5364 -43.8156 35.7262 -85.1614 24.658 192.484 PRESSAVG: 585000 -11.8362 -15.0491 -51.3844 -15.0491 -3.34711 -53.5387 -51.3844 -53.5386 59.7326 GPRESSAVG: 585000 -11.5847 -12.9659 -51.6745 -15.0058 -2.8681 -54.1222 -51.1511 -52.4072 58.8599 TIMING: 585000 CPU: 1742.24, 0.00298408/step Wall: 1742.24, 0.00298408/step, 3.65965 hours remaining, 207.253906 MB of memory in use. ENERGY: 585000 749.7032 2119.0180 1962.2925 112.0711 -206498.4624 17916.4069 0.0000 0.0000 34273.5184 -149365.4522 299.3192 -183638.9706 -149269.7347 299.2262 20.2165 49.9786 559196.2146 14.8498 14.8024 PRESSURE: 585200 100.102 -4.89518 19.0965 -4.89596 235.951 20.1708 19.0976 20.1707 200.519 GPRESSURE: 585200 116.792 -5.48235 78.2587 -7.36735 315.814 -56.6641 21.7587 92.9154 213.593 PRESSAVG: 585200 -10.3073 24.2683 -6.43033 24.2684 -31.6247 -23.9465 -6.43037 -23.9465 30.3443 GPRESSAVG: 585200 -10.2539 22.324 -6.44211 26.9321 -31.3204 -23.4357 -7.40595 -24.5794 30.5577 TIMING: 585200 CPU: 1742.84, 0.00299017/step Wall: 1742.84, 0.00299017/step, 3.66695 hours remaining, 207.253906 MB of memory in use. ENERGY: 585200 729.0852 2059.6906 1935.0546 112.8385 -206895.7275 18233.2301 0.0000 0.0000 34314.7524 -149511.0761 299.6793 -183825.8285 -149412.7747 298.2382 178.8574 215.3994 558880.0984 -3.8626 -3.6722 PRESSURE: 585400 228.676 15.2982 -93.3326 15.2983 47.2608 -122.081 -93.3308 -122.082 -266.901 GPRESSURE: 585400 267.539 62.2277 -121.223 -49.4108 83.1572 -69.1439 -24.1638 -141.831 -247.74 PRESSAVG: 585400 47.7152 -11.3901 24.3855 -11.39 -25.3691 -1.63548 24.3856 -1.63543 -2.33333 GPRESSAVG: 585400 48.6796 -11.2778 22.5447 -13.0861 -25.5786 -0.955273 25.4155 -1.33466 -3.37389 TIMING: 585400 CPU: 1743.43, 0.00297684/step Wall: 1743.43, 0.00297684/step, 3.65043 hours remaining, 207.253906 MB of memory in use. ENERGY: 585400 731.9955 2121.9409 1953.7226 119.1957 -206644.1602 17965.0068 0.0000 0.0000 34337.4342 -149414.8645 299.8774 -183752.2987 -149317.1628 298.3869 3.0118 34.3190 558827.3518 6.6709 6.5757 PRESSURE: 585600 -1.11292 -109.513 -108.796 -109.514 -46.6943 16.1437 -108.796 16.1443 88.7351 GPRESSURE: 585600 9.03349 -40.4993 -217.261 -44.3097 -9.06475 -20.7412 -30.5876 27.2267 144.813 PRESSAVG: 585600 56.4189 -4.72366 -4.78108 -4.72378 0.471453 35.6688 -4.7812 35.6686 -49.1792 GPRESSAVG: 585600 55.6503 -6.8858 -5.60811 -4.23049 -0.124766 34.6955 -2.81539 35.2789 -47.9316 TIMING: 585600 CPU: 1744.03, 0.00298795/step Wall: 1744.03, 0.00298795/step, 3.66389 hours remaining, 207.253906 MB of memory in use. ENERGY: 585600 734.6242 2065.6708 1926.1533 112.0940 -206275.4093 17852.1669 0.0000 0.0000 34343.4264 -149241.2738 299.9297 -183584.7002 -149134.6080 298.6841 13.6426 48.2606 558533.8975 2.5704 2.5313 PRESSURE: 585800 -233.635 85.9911 57.9054 85.9916 -393.285 -9.90228 57.9059 -9.90252 -85.9061 GPRESSURE: 585800 -200.025 43.844 57.5037 197.641 -324.069 -39.5691 25.4003 29.5884 -76.9756 PRESSAVG: 585800 37.9348 -11.1021 19.6488 -11.1022 -36.7889 -27.08 19.6488 -27.0802 -41.0055 GPRESSAVG: 585800 37.6978 -8.36158 23.7053 -10.1006 -36.4916 -27.3639 16.4497 -26.6414 -40.4565 TIMING: 585800 CPU: 1744.63, 0.00300072/step Wall: 1744.63, 0.00300072/step, 3.67939 hours remaining, 207.253906 MB of memory in use. ENERGY: 585800 773.4141 2110.0563 1956.9704 121.6317 -206039.1723 17550.0209 0.0000 0.0000 34241.9513 -149285.1277 299.0435 -183527.0790 -149184.0892 299.2581 -237.6088 -200.3565 558679.4111 -13.2865 -13.0834 PRESSURE: 586000 131.683 21.4454 4.5442 21.445 60.8462 -84.1435 4.54287 -84.1453 -85.4989 GPRESSURE: 586000 235.355 -76.5455 80.7004 86.9073 30.4566 -63.0499 -7.86055 -92.5937 -57.7917 PRESSAVG: 586000 38.6878 -8.11971 39.017 -8.11967 32.4468 -54.3251 39.017 -54.325 -54.2027 GPRESSAVG: 586000 40.406 -8.65581 36.6099 -9.66826 31.8457 -53.0194 39.4904 -56.6046 -54.8425 TIMING: 586000 CPU: 1745.22, 0.00295317/step Wall: 1745.22, 0.00295317/step, 3.62092 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 586000 741.3930 2166.7928 1937.9717 108.8300 -206033.0743 17783.4804 0.0000 0.0000 34064.8134 -149229.7930 297.4965 -183294.6064 -149124.7743 298.7863 35.6768 69.3400 558215.8486 5.6439 5.8030 PRESSURE: 586200 329.318 -114.729 -120.54 -114.73 241.916 131.594 -120.539 131.594 -6.07041 GPRESSURE: 586200 363.387 -170.668 -168.487 -121.361 269.153 145.309 -170.123 156.478 35.5985 PRESSAVG: 586200 67.0873 -61.9961 4.81617 -61.996 -31.966 -12.1861 4.81615 -12.1861 -80.6876 GPRESSAVG: 586200 66.3312 -63.5604 4.23198 -62.567 -31.0443 -12.8163 5.70445 -12.0308 -80.5156 TIMING: 586200 CPU: 1745.81, 0.00296565/step Wall: 1745.81, 0.00296565/step, 3.63605 hours remaining, 207.253906 MB of memory in use. ENERGY: 586200 745.7600 2102.2957 1937.4348 122.5970 -206401.8435 18145.1812 0.0000 0.0000 34151.1561 -149197.4189 298.2505 -183348.5750 -149113.2252 298.7143 188.3879 222.7129 557241.7582 -15.1888 -15.0762 PRESSURE: 586400 128.799 14.3236 -149.664 14.325 -46.7276 28.3833 -149.665 28.3842 -423.471 GPRESSURE: 586400 177.083 -14.7102 -110.457 -29.5786 -44.2434 -31.5149 -61.9889 -1.85031 -372.755 PRESSAVG: 586400 -30.1073 16.2124 -34.7993 16.2123 1.09713 -34.2202 -34.7993 -34.2202 23.0113 GPRESSAVG: 586400 -30.4772 16.3898 -34.8005 16.623 0.995598 -35.5468 -34.1258 -33.8667 23.6615 TIMING: 586400 CPU: 1746.41, 0.00296642/step Wall: 1746.41, 0.00296642/step, 3.63684 hours remaining, 207.253906 MB of memory in use. ENERGY: 586400 741.8355 2100.5682 1934.9044 104.5717 -205583.6625 17507.3263 0.0000 0.0000 34056.0657 -149138.3906 297.4201 -183194.4564 -149034.6077 299.9136 -113.7999 -79.9718 557586.3286 -1.9996 -1.9400 PRESSURE: 586600 58.4882 34.8665 18.4462 34.865 -109.86 52.7949 18.4446 52.7956 -162.644 GPRESSURE: 586600 70.7872 42.3649 55.5643 84.5926 -63.8701 45.9474 52.4597 -9.77123 -111.147 PRESSAVG: 586600 -14.2699 -21.3935 43.2827 -21.3934 34.1196 -52.9529 43.2826 -52.9529 11.1303 GPRESSAVG: 586600 -14.3312 -19.5899 41.5369 -21.472 33.4757 -53.3042 43.0488 -52.5285 11.0876 TIMING: 586600 CPU: 1747, 0.00297392/step Wall: 1747, 0.00297392/step, 3.64586 hours remaining, 207.253906 MB of memory in use. ENERGY: 586600 746.5447 2141.4657 1952.1737 128.9352 -205998.6788 17662.4893 0.0000 0.0000 34287.6397 -149079.4304 299.4425 -183367.0701 -148987.1321 299.8826 -71.3386 -34.7433 556922.4501 10.3267 10.0774 PRESSURE: 586800 65.3083 18.8637 -78.609 18.8651 -183.171 77.7069 -78.6084 77.7061 189.58 GPRESSURE: 586800 77.003 24.858 -96.7366 14.703 -111.073 12.1094 -56.3072 100.755 219.056 PRESSAVG: 586800 -44.4701 16.6295 -48.8776 16.6296 -9.20417 34.4214 -48.8776 34.4215 6.69568 GPRESSAVG: 586800 -44.2123 15.5729 -47.5119 15.7472 -8.50382 32.8961 -51.5475 36.4274 5.96402 TIMING: 586800 CPU: 1747.6, 0.00299177/step Wall: 1747.6, 0.00299177/step, 3.66758 hours remaining, 207.253906 MB of memory in use. ENERGY: 586800 764.5242 2109.7723 1944.0180 110.6680 -206344.7025 17987.9206 0.0000 0.0000 34473.2876 -148954.5119 301.0638 -183427.7995 -148857.4994 299.6816 23.9057 61.6621 556945.3647 -15.6595 -15.5840 PRESSURE: 587000 -26.8792 -237.597 -38.4268 -237.598 -142.407 36.7256 -38.4267 36.7256 -138.132 GPRESSURE: 587000 38.4221 -107.525 -12.1974 -285.283 -126.453 25.4305 -6.20589 57.1891 -120.384 PRESSAVG: 587000 65.1737 -33.1866 -46.327 -33.1866 -45.4247 -27.671 -46.3271 -27.6711 23.0968 GPRESSAVG: 587000 64.5459 -34.8028 -46.2642 -32.5959 -45.2349 -24.747 -45.3944 -30.082 23.7605 TIMING: 587000 CPU: 1748.2, 0.00298/step Wall: 1748.2, 0.00298/step, 3.65299 hours remaining, 207.253906 MB of memory in use. ENERGY: 587000 729.8639 2159.2338 1938.4738 99.5110 -205795.8614 17584.4633 0.0000 0.0000 34315.4701 -148968.8455 299.6855 -183284.3156 -148868.3958 299.7466 -102.4729 -69.4717 557275.4848 14.2819 14.3571 PRESSURE: 587200 -327.669 -64.9327 -170.151 -64.9332 80.2752 232.143 -170.15 232.144 -292.163 GPRESSURE: 587200 -291.331 -59.723 -141.667 -26.8815 116.297 280.63 -233.242 231.788 -255.073 PRESSAVG: 587200 -6.29379 8.11429 19.1127 8.11426 -11.054 41.7578 19.1127 41.7579 -18.5924 GPRESSAVG: 587200 -5.67003 10.5666 16.047 8.99108 -11.3068 40.5011 21.3689 41.1667 -18.2941 TIMING: 587200 CPU: 1748.79, 0.00297006/step Wall: 1748.79, 0.00297006/step, 3.64063 hours remaining, 207.253906 MB of memory in use. ENERGY: 587200 757.8903 2115.1690 1948.3038 114.5838 -205798.5151 17504.5987 0.0000 0.0000 34510.6892 -148847.2802 301.3904 -183357.9695 -148753.5831 300.6087 -179.8525 -143.3687 556403.3396 -11.9800 -11.7570 PRESSURE: 587400 -81.1653 67.4861 -105.274 67.4855 -40.94 140.243 -105.274 140.244 -110.576 GPRESSURE: 587400 -48.4892 -3.5482 -93.1131 -53.51 -21.9572 65.9823 -85.8541 165.689 -63.7602 PRESSAVG: 587400 76.1751 -8.9005 4.9723 -8.90044 -46.2565 70.4151 4.97243 70.4152 -4.39064 GPRESSAVG: 587400 76.2616 -11.2062 6.67658 -8.76747 -46.9276 70.8286 3.93447 70.7603 -4.15548 TIMING: 587400 CPU: 1749.38, 0.00295788/step Wall: 1749.38, 0.00295788/step, 3.62555 hours remaining, 207.253906 MB of memory in use. ENERGY: 587400 714.9883 2065.9519 1949.7443 103.9954 -205904.1069 17481.9532 0.0000 0.0000 34547.3406 -149040.1332 301.7105 -183587.4738 -148935.7365 300.4547 -77.5604 -44.7355 556893.4207 8.5093 8.3928 PRESSURE: 587600 149.583 -16.5317 17.7059 -16.5324 65.5663 75.4282 17.7068 75.428 139.004 GPRESSURE: 587600 213.494 -60.5109 27.8381 -26.6702 35.0729 147.382 -20.407 57.8071 196.108 PRESSAVG: 587600 26.7658 -8.64489 -27.5809 -8.64485 -30.869 -9.23015 -27.5809 -9.23026 42.146 GPRESSAVG: 587600 26.5502 -10.5201 -27.4491 -6.42136 -29.8917 -9.4251 -29.4533 -8.18048 41.2752 TIMING: 587600 CPU: 1749.98, 0.00297314/step Wall: 1749.98, 0.00297314/step, 3.64408 hours remaining, 207.253906 MB of memory in use. ENERGY: 587600 732.9856 2110.6716 1927.5066 101.6111 -206499.2011 18094.2994 0.0000 0.0000 34470.7903 -149061.3365 301.0420 -183532.1267 -148958.9180 299.8308 118.0510 148.2252 557102.3788 12.6809 12.6446 PRESSURE: 587800 35.9868 -105.695 -31.4985 -105.695 -52.432 19.804 -31.497 19.8042 10.7968 GPRESSURE: 587800 14.9179 -13.6988 -126.478 -173.035 36.5863 52.8879 43.7963 34.4981 38.8146 PRESSAVG: 587800 27.7095 11.4279 -81.136 11.4279 -30.6824 35.3201 -81.136 35.3202 -30.5368 GPRESSAVG: 587800 27.1709 13.448 -80.2087 10.5579 -30.2013 36.2119 -80.3692 34.3972 -30.0655 TIMING: 587800 CPU: 1750.57, 0.00296615/step Wall: 1750.57, 0.00296615/step, 3.63534 hours remaining, 207.253906 MB of memory in use. ENERGY: 587800 803.0849 2070.5251 1938.6695 107.5334 -206050.2709 17765.0660 0.0000 0.0000 34347.8106 -149017.5813 299.9680 -183365.3919 -148925.8268 300.1912 -1.8828 30.1063 555355.7262 -11.1699 -11.0320 PRESSURE: 588000 45.012 -209.104 12.5806 -209.105 -2.04255 -49.3382 12.5808 -49.3375 -66.138 GPRESSURE: 588000 67.505 -167.043 -61.5802 -223.915 57.9056 22.6935 -0.443659 -123.409 -50.8188 PRESSAVG: 588000 22.3341 -31.1178 -17.0474 -31.1178 7.68881 31.4533 -17.0474 31.4532 -53.9124 GPRESSAVG: 588000 23.4952 -30.8108 -16.6402 -31.0514 6.10117 30.9098 -15.5084 32.1188 -53.5665 TIMING: 588000 CPU: 1751.16, 0.00296911/step Wall: 1751.16, 0.00296911/step, 3.6388 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 588000 742.6209 2096.2471 1905.3631 123.0732 -206274.4292 17825.9544 0.0000 0.0000 34377.7269 -149203.4438 300.2292 -183581.1706 -149104.7785 300.1396 -7.7229 24.8639 556439.1165 -7.9632 -7.9900 PRESSURE: 588200 301.467 4.04693 -21.0707 4.04717 -18.1445 139.082 -21.0699 139.083 -25.9748 GPRESSURE: 588200 312.299 63.3642 -68.0869 17.8122 17.8459 94.6043 -7.4164 137.311 39.5774 PRESSAVG: 588200 -22.643 -30.7282 5.52276 -30.7283 39.8783 0.995489 5.52292 0.995573 -44.6413 GPRESSAVG: 588200 -22.5063 -29.0004 4.91711 -33.9471 39.2428 0.319097 5.52802 2.90938 -44.2725 TIMING: 588200 CPU: 1751.75, 0.00295619/step Wall: 1751.75, 0.00295619/step, 3.62281 hours remaining, 207.253906 MB of memory in use. ENERGY: 588200 733.6332 2133.4021 1935.0520 127.1312 -206276.2451 17983.6817 0.0000 0.0000 34131.3632 -149231.9817 298.0777 -183363.3449 -149140.4520 299.2205 85.7826 123.2408 556573.5482 -9.1353 -9.1787 LDB: ============= START OF LOAD BALANCING ============== 1755.3 LDB: ============== END OF LOAD BALANCING =============== 1755.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1755.3 LDB: ============= START OF LOAD BALANCING ============== 1755.6 LDB: Largest compute 4796 load 0.030567 is 25.9% of average load 0.118053 LDB: Average compute 0.001731 is 1.5% of average load 0.118053 LDB: TIME 1755.6 LOAD: AVG 0.118053 MAX 0.204918 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.996 MB LDB: TIME 1755.6 LOAD: AVG 0.118053 MAX 0.204918 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.996 MB LDB: TIME 1755.6 LOAD: AVG 0.118053 MAX 0.204918 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.996 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1755.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1755.6 PRESSURE: 588400 6.19496 -194.046 -84.9088 -194.046 156.294 -24.3616 -84.9084 -24.3617 189.912 GPRESSURE: 588400 60.8024 -200.821 -123.385 -144.222 209.423 -26.7399 -147.934 -37.8562 196.848 PRESSAVG: 588400 -15.8516 -0.948604 41.1622 -0.94858 36.2213 -25.0661 41.1622 -25.0661 -24.0819 GPRESSAVG: 588400 -16.0713 -2.80638 40.7596 0.698925 37.673 -25.7136 39.7869 -26.2342 -25.1505 TIMING: 588400 CPU: 1752.35, 0.00300189/step Wall: 1752.35, 0.00300189/step, 3.67865 hours remaining, 206.484375 MB of memory in use. ENERGY: 588400 748.6062 2079.2985 1960.9120 123.7683 -206442.2647 18008.3495 0.0000 0.0000 34607.8404 -148913.4898 302.2389 -183521.3302 -148814.6348 300.0152 117.4669 155.6913 556291.4175 -1.2374 -1.1829 PRESSURE: 588600 -48.6565 -8.93838 -113.363 -8.93732 187.309 58.8961 -113.364 58.8947 76.4108 GPRESSURE: 588600 -58.2925 7.6423 -88.5056 -12.4274 235.404 48.9001 -40.9416 22.7708 131.366 PRESSAVG: 588600 10.4138 -33.3005 -1.66309 -33.3007 19.5167 -9.02487 -1.66311 -9.02495 2.4222 GPRESSAVG: 588600 9.64988 -32.9765 -1.84515 -33.8749 19.5892 -8.45091 -0.462172 -9.77328 3.11915 TIMING: 588600 CPU: 1752.95, 0.00297185/step Wall: 1752.95, 0.00297185/step, 3.64167 hours remaining, 206.687500 MB of memory in use. ENERGY: 588600 754.1799 2082.3506 1930.3479 96.6486 -206412.0255 18025.1801 0.0000 0.0000 34421.8033 -149101.5151 300.6142 -183523.3184 -149000.0200 300.1268 71.6877 102.8255 557910.0526 10.7842 10.7861 PRESSURE: 588800 -138.342 -163.98 206.895 -163.979 -266.85 63.6332 206.895 63.6335 48.2232 GPRESSURE: 588800 -46.3253 -166.841 205.813 -177.13 -257.963 31.7382 136.718 45.6602 37.5488 PRESSAVG: 588800 -31.6644 32.8965 0.705169 32.8965 -33.2449 43.2661 0.705113 43.2661 49.6141 GPRESSAVG: 588800 -30.9823 33.1776 0.329498 34.6701 -33.1338 42.5715 0.509647 45.5329 49.0947 TIMING: 588800 CPU: 1753.54, 0.0029635/step Wall: 1753.54, 0.0029635/step, 3.63127 hours remaining, 206.687500 MB of memory in use. ENERGY: 588800 752.8009 2097.2308 1965.6581 112.7415 -205841.9606 17633.8464 0.0000 0.0000 34194.1433 -149085.5395 298.6260 -183279.6829 -148986.9313 299.6703 -118.9896 -88.9132 558528.9372 -5.0984 -5.0071 PRESSURE: 589000 -25.956 208.877 -56.3799 208.877 -2.01731 20.5255 -56.3804 20.5244 66.0297 GPRESSURE: 589000 4.51591 218.081 -20.755 171.482 69.4406 70.7495 -51.9928 -17.5122 63.5399 PRESSAVG: 589000 62.9073 -33.5877 -39.5478 -33.5877 -60.1206 43.4035 -39.5477 43.4036 25.8314 GPRESSAVG: 589000 62.8087 -34.1172 -39.1805 -35.8503 -61.2169 42.5821 -39.0214 42.902 27.4137 TIMING: 589000 CPU: 1754.14, 0.0030034/step Wall: 1754.14, 0.0030034/step, 3.68 hours remaining, 206.687500 MB of memory in use. ENERGY: 589000 788.1098 2079.8608 1954.5470 119.1607 -206110.1086 17981.4505 0.0000 0.0000 34123.4747 -149063.5050 298.0088 -183186.9797 -148970.7744 299.1353 12.6855 45.8322 558726.3356 9.5394 9.6685 PRESSURE: 589200 -80.0872 50.669 -64.1098 50.6689 13.7028 1.7652 -64.1116 1.76502 -79.7467 GPRESSURE: 589200 -94.9076 -20.4808 37.1421 143.276 76.4128 -25.0284 -116.103 6.437 -28.5264 PRESSAVG: 589200 15.2802 -49.2422 -102.686 -49.2423 -34.5101 14.1556 -102.686 14.1555 -4.67369 GPRESSAVG: 589200 16.028 -50.6454 -101.551 -46.7781 -32.408 16.9819 -103.756 10.7987 -6.99537 TIMING: 589200 CPU: 1754.74, 0.00298332/step Wall: 1754.74, 0.00298332/step, 3.65522 hours remaining, 206.687500 MB of memory in use. ENERGY: 589200 766.7216 2101.0444 1963.5666 117.5667 -206154.1490 17845.6993 0.0000 0.0000 34201.8887 -149157.6617 298.6936 -183359.5504 -149056.3506 299.8645 -48.7103 -15.6738 557909.3929 -7.9678 -7.7918 PRESSURE: 589400 -29.336 112.114 157.001 112.113 -264.01 -67.0333 157.001 -67.0323 -18.4341 GPRESSURE: 589400 15.0806 101.959 180.264 127.592 -216.509 -34.4233 114.732 -7.20756 -2.73014 PRESSAVG: 589400 -8.57807 -17.9844 -40.5934 -17.9843 -57.7284 -46.2896 -40.5934 -46.2894 53.1549 GPRESSAVG: 589400 -8.67589 -19.0418 -42.0124 -17.9492 -59.0766 -49.644 -39.1405 -42.7163 54.4036 TIMING: 589400 CPU: 1755.34, 0.00298972/step Wall: 1755.34, 0.00298972/step, 3.66291 hours remaining, 206.687500 MB of memory in use. ENERGY: 589400 792.3827 2109.3522 1952.4670 100.7105 -206137.8392 17668.2164 0.0000 0.0000 34436.9816 -149077.7286 300.7467 -183514.7102 -148979.3611 299.5367 -103.9266 -68.0528 557196.1094 -4.3839 -4.4496 PRESSURE: 589600 -174.594 244.014 96.6358 244.015 -108.301 24.3212 96.6341 24.3211 -100.318 GPRESSURE: 589600 -165.086 214.307 87.7595 278.301 -58.5241 -0.924917 77.1643 49.7229 -55.9593 PRESSAVG: 589600 4.71335 35.9185 53.8171 35.9184 5.50282 -6.30139 53.8171 -6.30134 37.7969 GPRESSAVG: 589600 4.06881 37.2687 53.5846 37.3428 6.59951 -5.12052 52.8048 -7.86738 37.6197 TIMING: 589600 CPU: 1755.93, 0.00295174/step Wall: 1755.93, 0.00295174/step, 3.61621 hours remaining, 206.687500 MB of memory in use. ENERGY: 589600 791.9182 2112.6971 1947.1588 107.1239 -205853.1897 17534.1989 0.0000 0.0000 34151.4172 -149208.6756 298.2528 -183360.0928 -149100.8507 299.6123 -127.7377 -93.1898 557943.5257 16.0043 16.0960 PRESSURE: 589800 216.448 118.599 -98.2871 118.601 71.1798 120.688 -98.2857 120.689 127.712 GPRESSURE: 589800 290.044 55.0781 -122.055 248.755 69.6545 195.207 6.18583 125.735 147.044 PRESSAVG: 589800 63.9484 -3.67142 26.2453 -3.67144 -86.4214 28.7494 26.2452 28.7494 -25.1068 GPRESSAVG: 589800 63.6418 -4.13789 27.0815 -5.48719 -85.6446 27.7627 28.0664 28.0197 -25.5515 TIMING: 589800 CPU: 1756.52, 0.00294817/step Wall: 1756.52, 0.00294817/step, 3.61167 hours remaining, 206.687500 MB of memory in use. ENERGY: 589800 778.9240 2132.2276 1937.3734 111.3507 -206601.5743 18038.7308 0.0000 0.0000 34271.8190 -149331.1489 299.3043 -183602.9679 -149237.3050 298.5100 138.4467 168.9142 558124.4604 -15.8600 -15.8514 PRESSURE: 590000 -27.5569 -23.9298 -26.7139 -23.93 151.223 -32.5897 -26.7139 -32.5902 187.497 GPRESSURE: 590000 -7.77423 -33.7289 -23.8602 -21.5695 203.572 11.9408 -92.7932 -77.7504 208.997 PRESSAVG: 590000 19.1695 10.9327 -14.537 10.9327 -18.4666 42.1812 -14.537 42.1811 75.316 GPRESSAVG: 590000 19.2864 11.8875 -15.474 9.56671 -20.238 41.5428 -17.8301 44.0624 77.1127 TIMING: 590000 CPU: 1757.11, 0.0029599/step Wall: 1757.11, 0.0029599/step, 3.62587 hours remaining, 206.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 590000 758.7770 2056.3609 1955.7033 113.1785 -206582.5580 18015.3476 0.0000 0.0000 34049.4786 -149633.7123 297.3626 -183683.1908 -149532.7112 298.5847 103.7211 134.9315 558545.3052 25.3397 25.3870 PRESSURE: 590200 -20.982 26.4886 -74.9217 26.4897 100.765 -67.929 -74.9215 -67.9284 -165.761 GPRESSURE: 590200 25.8114 -7.4881 -64.0972 21.2003 142.764 -18.5564 -14.1185 -24.9886 -153.665 PRESSAVG: 590200 66.3619 -15.3903 -4.67824 -15.3903 -78.1097 37.628 -4.67834 37.628 36.2612 GPRESSAVG: 590200 64.8985 -15.8585 -5.20207 -14.9745 -76.5294 41.0001 -3.07593 35.2109 36.1542 TIMING: 590200 CPU: 1757.7, 0.00296824/step Wall: 1757.7, 0.00296824/step, 3.63593 hours remaining, 206.687500 MB of memory in use. ENERGY: 590200 750.6292 2111.6309 1953.4867 120.0575 -206592.6676 17956.7856 0.0000 0.0000 34068.1261 -149631.9515 297.5254 -183700.0776 -149539.6257 297.6664 -28.6594 4.9700 557442.0177 8.1711 8.1745 PRESSURE: 590400 -56.3017 -26.8053 -158.176 -26.8051 60.3358 -33.1049 -158.176 -33.1034 -80.4307 GPRESSURE: 590400 -34.895 -37.2601 -143.022 -43.1858 138.827 -38.867 -192.587 4.52778 -70.1884 PRESSAVG: 590400 45.5787 -28.8839 36.9882 -28.884 -19.7171 10.4735 36.9883 10.4735 8.97144 GPRESSAVG: 590400 47.4069 -29.9463 38.6603 -25.6361 -20.5314 6.84153 35.6058 12.4702 7.88377 TIMING: 590400 CPU: 1758.3, 0.00296651/step Wall: 1758.3, 0.00296651/step, 3.63364 hours remaining, 206.687500 MB of memory in use. ENERGY: 590400 776.1864 2069.6107 1923.4404 117.5220 -206587.3280 17824.9792 0.0000 0.0000 34071.8862 -149803.7031 297.5583 -183875.5893 -149715.4071 297.6898 -25.4655 11.2478 558031.8900 11.6110 11.5864 PRESSURE: 590600 -137.042 6.23313 7.2576 6.23346 -69.4162 -34.9776 7.25682 -34.9768 88.0111 GPRESSURE: 590600 -101.941 106.03 79.2589 -12.8029 -43.1909 -0.951479 46.03 -85.1778 118.707 PRESSAVG: 590600 -3.9155 -15.7655 5.59636 -15.7655 -38.8884 30.0874 5.59633 30.0875 10.6589 GPRESSAVG: 590600 -3.83686 -14.8977 7.13631 -18.0451 -39.2559 32.744 5.75056 29.2307 11.1193 TIMING: 590600 CPU: 1758.9, 0.0029992/step Wall: 1758.9, 0.0029992/step, 3.67352 hours remaining, 206.687500 MB of memory in use. ENERGY: 590600 759.8371 2128.0181 1938.9318 103.8918 -207155.4060 18186.4892 0.0000 0.0000 34127.1899 -149911.0482 298.0412 -184038.2381 -149814.9319 297.2187 -39.4823 -8.8085 558155.8204 -10.7150 -10.6578 PRESSURE: 590800 -155.867 -118.414 -2.63845 -118.412 -50.4819 -27.3896 -2.63866 -27.3912 47.487 GPRESSURE: 590800 -131.112 -145.615 30.6356 -39.3092 19.9084 -37.0954 47.3139 -108.692 43.4117 PRESSAVG: 590800 -22.716 -30.5935 67.6421 -30.5934 -8.62802 -17.6063 67.642 -17.6062 24.3155 GPRESSAVG: 590800 -22.4818 -31.2156 65.3734 -28.9918 -9.08653 -18.9797 70.6956 -18.1275 24.5516 TIMING: 590800 CPU: 1759.49, 0.00297067/step Wall: 1759.49, 0.00297067/step, 3.63841 hours remaining, 206.687500 MB of memory in use. ENERGY: 590800 758.7569 2096.6729 1934.2026 110.6239 -206706.6380 17955.2158 0.0000 0.0000 34142.0251 -149709.1407 298.1708 -183851.1658 -149612.0061 297.0441 -52.9539 -22.5972 558810.1081 -2.3428 -2.3389 PRESSURE: 591000 32.2704 85.8799 61.2457 85.8811 -81.1913 -115.026 61.2448 -115.025 -309.136 GPRESSURE: 591000 68.3969 88.259 43.7221 75.4738 -89.5674 -116.819 -13.125 -149.389 -238.118 PRESSAVG: 591000 11.9803 -32.3671 26.25 -32.3671 -55.7497 -13.2369 26.25 -13.2368 29.7779 GPRESSAVG: 591000 11.0586 -30.003 26.6842 -34.8636 -55.2005 -14.5854 24.5328 -12.8158 29.9091 TIMING: 591000 CPU: 1760.08, 0.00297489/step Wall: 1760.08, 0.00297489/step, 3.64341 hours remaining, 206.687500 MB of memory in use. ENERGY: 591000 729.9335 2066.5213 1960.6298 106.9420 -206421.6289 17813.5403 0.0000 0.0000 34156.5677 -149587.4943 298.2978 -183744.0620 -149493.6300 298.3336 -119.3524 -86.4294 558932.4905 -4.6638 -4.7443 PRESSURE: 591200 48.4956 -91.5812 -148.26 -91.5814 -226.96 -59.4781 -148.26 -59.476 -172.575 GPRESSURE: 591200 84.5642 -115.941 -144.823 -79.2589 -169.526 -119.65 -68.8085 18.9673 -165.35 PRESSAVG: 591200 34.674 -41.1805 29.6274 -41.1805 1.38733 -54.903 29.6274 -54.9029 -30.9966 GPRESSAVG: 591200 35.901 -42.0636 29.7468 -39.6829 1.17821 -51.4591 30.7907 -53.7581 -32.1776 TIMING: 591200 CPU: 1760.68, 0.00297243/step Wall: 1760.68, 0.00297243/step, 3.64024 hours remaining, 206.687500 MB of memory in use. ENERGY: 591200 709.8227 2107.7490 1947.3026 102.4125 -206428.7991 17727.8003 0.0000 0.0000 34118.3076 -149715.4043 297.9637 -183833.7120 -149620.6607 297.5792 -117.0129 -83.4373 558198.7091 1.6882 1.6339 PRESSURE: 591400 192.066 17.4663 41.2667 17.4638 164.274 242.358 41.266 242.356 55.5514 GPRESSURE: 591400 206.332 -48.1748 128.887 12.0804 259.091 213.067 105.293 274.657 44.0018 PRESSAVG: 591400 14.1344 -17.5075 -34.1646 -17.5075 3.45612 40.8508 -34.1646 40.8508 -27.9792 GPRESSAVG: 591400 13.7872 -17.829 -35.9968 -17.1982 4.22527 38.0065 -33.3301 42.3471 -27.7341 TIMING: 591400 CPU: 1761.28, 0.00301595/step Wall: 1761.28, 0.00301595/step, 3.69336 hours remaining, 206.687500 MB of memory in use. ENERGY: 591400 777.4554 2071.1094 1921.1903 119.1299 -206855.8739 18078.3699 0.0000 0.0000 34191.9783 -149696.6408 298.6071 -183888.6191 -149606.4107 298.0393 137.2974 169.8082 555563.5467 -3.4629 -3.2405 PRESSURE: 591600 115.972 92.4542 -49.8575 92.4539 -109.601 120.313 -49.8571 120.314 48.3945 GPRESSURE: 591600 134.577 101.425 -126.245 118.534 -48.0326 97.706 -39.9187 197.112 59.6066 PRESSAVG: 591600 -1.48815 -40.4294 29.3021 -40.4294 -65.4474 -0.721577 29.3022 -0.721549 60.3257 GPRESSAVG: 591600 -2.3492 -40.2616 31.6913 -42.2151 -64.1947 -0.666116 28.7449 -3.303 60.1981 TIMING: 591600 CPU: 1761.89, 0.00303623/step Wall: 1761.89, 0.00303623/step, 3.71803 hours remaining, 206.687500 MB of memory in use. ENERGY: 591600 758.1399 2113.1558 1968.4126 105.8466 -206542.5015 17749.0704 0.0000 0.0000 34139.1471 -149708.7291 298.1457 -183847.8761 -149616.8231 298.2034 18.2555 48.7170 555329.6980 -2.2033 -2.1153 PRESSURE: 591800 -2.00548 -60.1537 198.429 -60.1539 -95.3933 26.3424 198.429 26.3447 89.566 GPRESSURE: 591800 37.0648 -4.98912 238.637 -53.4536 4.49705 0.949043 221.102 -20.1555 57.9473 PRESSAVG: 591800 -50.1779 12.6553 19.0918 12.6553 -4.86575 53.8729 19.0917 53.8729 48.8665 GPRESSAVG: 591800 -49.5084 12.7766 18.3664 12.7371 -5.42725 54.2092 16.4889 53.424 49.104 TIMING: 591800 CPU: 1762.49, 0.00300866/step Wall: 1762.49, 0.00300866/step, 3.6841 hours remaining, 206.687500 MB of memory in use. ENERGY: 591800 745.8584 2110.3289 1968.8811 116.3306 -206569.5950 17842.2469 0.0000 0.0000 34208.5011 -149577.4482 298.7513 -183785.9492 -149483.4947 298.5661 -2.6109 33.1697 555784.1093 -2.0591 -1.9439 PRESSURE: 592000 329.967 -52.6213 -5.18927 -52.6225 153.791 -55.3203 -5.18831 -55.3202 -28.9578 GPRESSURE: 592000 360.494 33.54 -7.87532 -5.06311 204.705 -118.614 -59.7317 -67.0213 -18.6117 PRESSAVG: 592000 57.356 -69.9389 22.2647 -69.9389 -41.3675 -44.5183 22.2647 -44.5184 -12.4621 GPRESSAVG: 592000 57.7457 -69.9377 21.3626 -69.3841 -42.9255 -43.3643 22.7536 -41.6127 -10.9975 TIMING: 592000 CPU: 1763.09, 0.00299757/step Wall: 1763.09, 0.00299757/step, 3.67036 hours remaining, 206.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 592000 746.2802 2044.3052 1938.0884 101.8244 -206624.7451 18236.6753 0.0000 0.0000 34195.5501 -149362.0215 298.6382 -183557.5716 -149261.4931 298.6053 151.6002 182.1957 556236.6810 1.1755 1.2742 PRESSURE: 592200 47.0034 135.924 87.128 135.923 -35.4953 210.452 87.1277 210.454 96.1161 GPRESSURE: 592200 65.1015 114.213 171.943 138.894 29.191 251.964 45.6883 179.896 123.625 PRESSAVG: 592200 -38.4979 18.7222 -16.8253 18.7223 41.8753 16.0019 -16.8253 16.0019 23.5436 GPRESSAVG: 592200 -39.576 18.9223 -16.8699 18.0699 43.2054 16.118 -17.4579 13.2256 23.198 TIMING: 592200 CPU: 1763.69, 0.00298262/step Wall: 1763.69, 0.00298262/step, 3.65189 hours remaining, 206.687500 MB of memory in use. ENERGY: 592200 711.4150 2099.3672 1906.9745 112.1841 -206027.6220 17704.8432 0.0000 0.0000 34194.9856 -149297.8524 298.6333 -183492.8380 -149203.4075 298.7942 35.8747 72.6392 555852.5296 8.9737 8.9425 LDB: ============= START OF LOAD BALANCING ============== 1767.23 LDB: ============== END OF LOAD BALANCING =============== 1767.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1767.24 LDB: ============= START OF LOAD BALANCING ============== 1767.53 LDB: Largest compute 4796 load 0.029354 is 24.9% of average load 0.118110 LDB: Average compute 0.001737 is 1.5% of average load 0.118110 LDB: TIME 1767.53 LOAD: AVG 0.11811 MAX 0.203586 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.484 MB LDB: TIME 1767.53 LOAD: AVG 0.11811 MAX 0.203586 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.488 MB LDB: TIME 1767.53 LOAD: AVG 0.11811 MAX 0.203586 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.488 MB LDB: ============== END OF LOAD BALANCING =============== 1767.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1767.54 PRESSURE: 592400 66.2597 -19.978 -88.495 -19.9784 74.4723 -84.9225 -88.4958 -84.9214 51.9331 GPRESSURE: 592400 128.766 -25.8615 -103.121 -16.0848 76.735 -129.148 -171.903 -19.7685 86.4588 PRESSAVG: 592400 -36.8952 29.1661 -27.8286 29.1661 -35.4313 15.0215 -27.8287 15.0214 56.5081 GPRESSAVG: 592400 -37.1865 28.8329 -27.1343 30.8169 -36.0098 14.3434 -27.7768 15.8653 56.7933 TIMING: 592400 CPU: 1764.29, 0.00300392/step Wall: 1764.29, 0.00300392/step, 3.67781 hours remaining, 207.507812 MB of memory in use. ENERGY: 592400 720.4466 2112.8204 1951.7170 105.1304 -206186.0750 17856.8784 0.0000 0.0000 34184.2259 -149254.8563 298.5393 -183439.0822 -149151.3786 298.6011 64.2217 97.3198 556629.0680 -5.2728 -5.4677 PRESSURE: 592600 119.325 -136.336 12.3427 -136.336 236.011 37.8913 12.3436 37.8923 67.6875 GPRESSURE: 592600 190.802 -159.353 20.6632 -90.9544 246.724 104.513 49.4768 59.6164 94.276 PRESSAVG: 592600 -9.01683 22.7191 22.8887 22.719 10.3318 -3.59926 22.8888 -3.59924 18.315 GPRESSAVG: 592600 -7.21226 22.2853 22.9108 21.4848 10.3522 -2.80363 22.1041 -3.04837 17.1207 TIMING: 592600 CPU: 1764.88, 0.00296586/step Wall: 1764.88, 0.00296586/step, 3.63103 hours remaining, 207.507812 MB of memory in use. ENERGY: 592600 738.1668 2092.0752 1946.4932 107.0235 -206349.5412 18005.6882 0.0000 0.0000 34287.2223 -149172.8720 299.4388 -183460.0943 -149079.6867 298.4109 141.0079 177.2672 557071.1496 6.5433 6.7535 PRESSURE: 592800 61.2619 62.8902 160.343 62.8902 -21.0731 174.665 160.344 174.664 -189.091 GPRESSURE: 592800 50.1517 77.3937 218.949 10.1483 9.05402 166.535 153.924 187.991 -115.679 PRESSAVG: 592800 37.1534 5.60267 23.512 5.6026 -40.2321 44.3 23.5121 44.3 -7.73984 GPRESSAVG: 592800 35.3634 6.38603 23.5526 4.49869 -39.4904 43.9845 25.5801 43.0342 -6.64367 TIMING: 592800 CPU: 1765.47, 0.0029516/step Wall: 1765.47, 0.0029516/step, 3.61342 hours remaining, 207.507812 MB of memory in use. ENERGY: 592800 744.9205 2092.1768 1939.4909 120.6482 -206019.4251 17725.9729 0.0000 0.0000 34252.8237 -149143.3920 299.1384 -183396.2157 -149041.2074 298.9382 -49.6340 -18.8246 556875.9334 -3.6062 -3.5902 PRESSURE: 593000 113.194 164.312 16.1623 164.31 153.707 10.6385 16.1628 10.6369 15.8058 GPRESSURE: 593000 144.036 194.496 29.7398 121.056 199.228 67.5712 27.029 13.5518 41.6604 PRESSAVG: 593000 46.3482 23.4798 -8.77273 23.4798 13.347 30.3002 -8.77278 30.3002 -64.8865 GPRESSAVG: 593000 46.9013 23.267 -7.6855 25.169 12.3588 30.5592 -9.43068 31.785 -64.8881 TIMING: 593000 CPU: 1766.07, 0.00296895/step Wall: 1766.07, 0.00296895/step, 3.63449 hours remaining, 207.507812 MB of memory in use. ENERGY: 593000 820.2217 2108.3514 1940.2163 115.9373 -206257.5949 17963.4370 0.0000 0.0000 34192.8615 -149116.5698 298.6148 -183309.4313 -149025.6510 299.5417 94.2355 128.3080 557707.0775 -1.7304 -1.8760 PRESSURE: 593200 30.9326 1.56445 145.149 1.56507 -91.5892 -32.5179 145.149 -32.5176 77.4596 GPRESSURE: 593200 33.2914 -45.6646 91.3289 11.8179 -12.4871 46.3768 140.02 -81.4344 93.1568 PRESSAVG: 593200 -35.9075 74.5163 37.4604 74.5164 29.1675 -31.3302 37.4605 -31.3301 39.7204 GPRESSAVG: 593200 -34.6103 75.7702 37.1506 72.1349 29.0116 -31.6519 36.291 -32.3051 38.4414 TIMING: 593200 CPU: 1766.66, 0.00298714/step Wall: 1766.66, 0.00298714/step, 3.65659 hours remaining, 207.507812 MB of memory in use. ENERGY: 593200 764.5392 2087.5380 1932.8492 122.9491 -206021.6544 17811.3417 0.0000 0.0000 33959.0462 -149343.3911 296.5728 -183302.4372 -149243.9752 299.2461 5.6010 37.9870 556890.2300 10.9935 10.9476 PRESSURE: 593400 44.0419 -71.3951 -68.7679 -71.3946 20.02 24.3156 -68.7678 24.3162 -177.612 GPRESSURE: 593400 95.3575 -109.148 -79.6674 -13.3204 45.3797 65.808 -21.6532 -42.0962 -170.139 PRESSAVG: 593400 6.29853 16.2125 -12.4438 16.2126 46.4092 4.0452 -12.4437 4.04511 -31.7526 GPRESSAVG: 593400 5.59107 15.5848 -12.7891 16.7397 45.9454 4.82717 -11.9436 4.22473 -31.1481 TIMING: 593400 CPU: 1767.26, 0.00298612/step Wall: 1767.26, 0.00298612/step, 3.65518 hours remaining, 207.507812 MB of memory in use. ENERGY: 593400 745.4210 2085.1594 1901.7747 112.9814 -206615.7010 17949.7043 0.0000 0.0000 34519.4186 -149301.2416 301.4667 -183820.6602 -149200.0598 298.9136 -37.8501 -9.8006 558043.7266 6.9850 6.7961 PRESSURE: 593600 -9.04797 14.1846 70.3051 14.1843 14.567 -78.7819 70.3056 -78.7834 -420.816 GPRESSURE: 593600 31.5419 115.02 180.255 -15.1736 67.9281 -76.2599 120.136 -29.9251 -423.939 PRESSAVG: 593600 6.2505 25.3508 52.6891 25.3508 13.5235 -33.476 52.689 -33.4761 -13.7576 GPRESSAVG: 593600 5.25785 24.9232 52.7024 26.181 14.2958 -34.1045 52.5756 -32.5131 -13.4897 TIMING: 593600 CPU: 1767.85, 0.00296188/step Wall: 1767.85, 0.00296188/step, 3.62534 hours remaining, 207.507812 MB of memory in use. ENERGY: 593600 738.7571 2045.7492 1909.5708 111.9350 -206356.3655 17745.0245 0.0000 0.0000 34294.1625 -149511.1664 299.4995 -183805.3290 -149420.1114 298.6594 -138.4323 -108.1564 558116.0938 2.0054 2.0213 PRESSURE: 593800 -168.261 -20.684 71.8778 -20.6842 -273.298 -184.728 71.8778 -184.728 -62.5107 GPRESSURE: 593800 -91.4444 -8.65726 44.5279 -1.10138 -223.657 -166.307 141.885 -191.401 -92.3853 PRESSAVG: 593800 51.2109 -18.1145 24.6362 -18.1145 28.4396 8.93066 24.6363 8.93073 -26.1348 GPRESSAVG: 593800 51.9308 -19.6818 24.0193 -17.9361 29.3922 9.46389 25.4747 8.12544 -27.1791 TIMING: 593800 CPU: 1768.44, 0.00295794/step Wall: 1768.44, 0.00295794/step, 3.62035 hours remaining, 207.507812 MB of memory in use. ENERGY: 593800 736.3472 2054.1926 1936.1398 122.0911 -206190.0757 17598.7456 0.0000 0.0000 34228.6876 -149513.8717 298.9276 -183742.5593 -149413.7641 298.1782 -168.0231 -135.8290 556030.2132 17.8386 18.0480 PRESSURE: 594000 -89.5517 -6.03564 72.4752 -6.03645 -89.9369 51.7738 72.4755 51.7743 -163.126 GPRESSURE: 594000 -60.6126 -13.2118 -8.63871 -46.7006 -56.8597 -18.0028 100.503 -0.727714 -122.574 PRESSAVG: 594000 19.1483 24.9831 -13.6495 24.9831 -7.58969 8.79933 -13.6494 8.79952 20.1185 GPRESSAVG: 594000 18.7955 26.9425 -14.6233 24.211 -7.54399 5.73378 -13.7195 7.85467 21.1817 TIMING: 594000 CPU: 1769.03, 0.00293949/step Wall: 1769.03, 0.00293949/step, 3.59761 hours remaining, 207.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 594000 718.6265 2111.3250 1934.8301 117.3833 -205897.3007 17597.9225 0.0000 0.0000 33886.6382 -149530.5752 295.9404 -183417.2133 -149434.7432 298.5877 -114.2049 -80.0154 557200.6881 10.5590 10.8111 PRESSURE: 594200 -257.39 -51.7258 -40.5379 -51.7239 31.2748 -44.4719 -40.5382 -44.471 -50.7321 GPRESSURE: 594200 -184.378 -88.0236 41.1465 63.0252 79.926 -81.6437 -101.315 -87.1634 -61.0458 PRESSAVG: 594200 -30.8794 8.52798 11.042 8.52797 -10.1091 29.8612 11.042 29.861 64.8739 GPRESSAVG: 594200 -29.4712 7.07126 13.3529 9.16317 -11.1295 33.1034 10.2432 30.2868 64.9056 TIMING: 594200 CPU: 1769.62, 0.00294301/step Wall: 1769.62, 0.00294301/step, 3.60176 hours remaining, 207.507812 MB of memory in use. ENERGY: 594200 743.4715 2101.3117 1946.5586 120.8567 -206185.9132 17733.3774 0.0000 0.0000 33911.0418 -149629.2956 296.1536 -183540.3374 -149530.6581 297.8726 -92.2824 -55.1658 556705.5515 7.9618 8.1016 PRESSURE: 594400 138.671 -5.33663 -122.923 -5.33656 172.051 39.6046 -122.924 39.6045 46.1666 GPRESSURE: 594400 162.492 41.8778 -144.904 10.0383 220.402 -17.5168 -52.6465 76.9014 78.2312 PRESSAVG: 594400 12.7579 20.0951 -7.42051 20.0951 5.84338 -14.3431 -7.4204 -14.3432 -13.415 GPRESSAVG: 594400 11.4137 19.0785 -8.61762 18.9036 6.49019 -14.3484 -6.81757 -14.409 -12.613 TIMING: 594400 CPU: 1770.21, 0.00296965/step Wall: 1770.21, 0.00296965/step, 3.63419 hours remaining, 207.507812 MB of memory in use. ENERGY: 594400 776.6703 2081.5946 1902.7495 95.8363 -206861.2887 18033.6470 0.0000 0.0000 34259.4844 -149711.3066 299.1966 -183970.7910 -149613.4352 298.1426 118.9628 153.7085 556893.7337 1.7288 1.7637 PRESSURE: 594600 271.735 87.1346 25.6943 87.1354 29.7175 -29.2313 25.6956 -29.2333 -48.2491 GPRESSURE: 594600 332.625 11.5018 33.1517 104.566 26.3313 -39.2133 85.8472 -53.1483 -9.78071 PRESSAVG: 594600 28.0724 46.6625 35.9915 46.6626 -8.01381 27.6064 35.9915 27.6064 38.5832 GPRESSAVG: 594600 28.3462 48.9889 36.1441 47.0381 -9.52859 26.2913 35.7563 28.8419 40.1499 TIMING: 594600 CPU: 1770.81, 0.00297939/step Wall: 1770.81, 0.00297939/step, 3.64594 hours remaining, 207.507812 MB of memory in use. ENERGY: 594600 726.7398 2100.8529 1908.5822 108.9764 -206874.8519 18146.6645 0.0000 0.0000 34110.2645 -149772.7716 297.8934 -183883.0360 -149679.6991 298.3473 84.4012 116.3917 558304.7785 19.5473 19.6558 PRESSURE: 594800 -233.144 178.197 -104.961 178.197 -56.454 43.4087 -104.958 43.4098 -39.0105 GPRESSURE: 594800 -230.783 205.489 -123.721 156.478 -34.5894 -13.2146 -148.473 94.6875 22.7855 PRESSAVG: 594800 64.5752 27.9305 -18.6417 27.9306 -71.7917 -5.07995 -18.6417 -5.07997 1.59728 GPRESSAVG: 594800 65.2487 27.5003 -18.2146 27.7308 -71.2873 -2.98424 -18.742 -5.06992 1.03853 TIMING: 594800 CPU: 1771.41, 0.00297874/step Wall: 1771.41, 0.00297874/step, 3.64498 hours remaining, 207.507812 MB of memory in use. ENERGY: 594800 766.7912 2150.3058 1926.3029 128.3069 -206747.5249 17868.8712 0.0000 0.0000 34256.8982 -149650.0487 299.1740 -183906.9470 -149549.1386 298.4109 -109.5363 -80.8622 557101.5218 -1.8731 -1.6667 PRESSURE: 595000 -321.559 -7.7772 41.1156 -7.77878 -89.7875 54.4608 41.1159 54.46 -77.9386 GPRESSURE: 595000 -288.934 -27.4567 41.6186 -86.3825 -83.226 -1.41439 50.3553 64.5413 -25.9962 PRESSAVG: 595000 -21.386 22.8023 21.9904 22.8022 -19.2268 41.4298 21.9903 41.4299 64.4063 GPRESSAVG: 595000 -22.6521 22.1435 21.4154 23.4257 -17.9777 41.3384 21.8464 40.513 64.6349 TIMING: 595000 CPU: 1772, 0.00296602/step Wall: 1772, 0.00296602/step, 3.62925 hours remaining, 207.507812 MB of memory in use. ENERGY: 595000 796.1949 2093.7540 1922.1896 110.5428 -206425.1058 17874.5259 0.0000 0.0000 34081.3923 -149546.5064 297.6413 -183627.8987 -149453.4366 298.2628 -163.0950 -132.7188 559076.6620 7.9312 8.0017 PRESSURE: 595200 -320.203 -79.5877 56.3225 -79.5896 -26.1052 87.0022 56.3236 87.0015 289.553 GPRESSURE: 595200 -261.606 -128.078 48.701 -31.9447 -3.50538 -17.1448 22.2542 167.65 305.286 PRESSAVG: 595200 -32.4964 16.296 11.7754 16.2961 -9.0696 19.1163 11.7754 19.1164 12.5654 GPRESSAVG: 595200 -32.291 16.1004 12.3772 17.4215 -8.81609 17.7191 11.3774 20.3863 11.9014 TIMING: 595200 CPU: 1772.6, 0.00298607/step Wall: 1772.6, 0.00298607/step, 3.65363 hours remaining, 207.507812 MB of memory in use. ENERGY: 595200 744.6787 2108.1860 1945.0021 115.8996 -206403.9405 17819.0939 0.0000 0.0000 34054.3480 -149616.7321 297.4051 -183671.0801 -149511.6001 298.2036 -18.9183 13.3916 558263.8712 -9.6669 -9.7352 PRESSURE: 595400 -132.549 257.127 -22.7917 257.127 -27.1682 -10.6785 -22.7923 -10.6793 44.3562 GPRESSURE: 595400 -70.5528 259.584 20.747 248.169 28.7585 -57.1668 -36.3811 73.8594 27.59 PRESSAVG: 595400 -61.5048 21.7604 23.3714 21.7604 -22.076 -19.6324 23.3714 -19.6323 66.2829 GPRESSAVG: 595400 -60.7957 22.5367 24.1806 21.5369 -21.7498 -19.7624 22.4109 -19.8183 64.7097 TIMING: 595400 CPU: 1773.19, 0.00298152/step Wall: 1773.19, 0.00298152/step, 3.64789 hours remaining, 207.507812 MB of memory in use. ENERGY: 595400 791.6601 2071.7107 1914.7984 112.2760 -206083.0898 17741.8666 0.0000 0.0000 34152.6141 -149298.1640 298.2633 -183450.7780 -149198.5291 297.9935 -38.4535 -4.7348 557843.8516 -5.7660 -5.9453 PRESSURE: 595600 54.8029 136.075 -24.8814 136.074 237.151 44.0792 -24.8825 44.0781 128.798 GPRESSURE: 595600 103.422 77.5282 -7.80567 63.918 243.306 -10.7801 -69.9069 68.889 184.15 PRESSAVG: 595600 0.592829 -14.7316 -14.746 -14.7316 6.31685 39.2761 -14.746 39.2762 12.1946 GPRESSAVG: 595600 -1.00165 -16.7761 -15.9725 -12.8676 7.15539 37.8043 -13.6575 40.2074 13.1481 TIMING: 595600 CPU: 1773.79, 0.00299584/step Wall: 1773.79, 0.00299584/step, 3.66525 hours remaining, 207.507812 MB of memory in use. ENERGY: 595600 707.8422 2101.3890 1924.3581 111.2232 -206201.0916 17921.4022 0.0000 0.0000 34132.9135 -149301.9634 298.0912 -183434.8769 -149207.8794 298.9032 140.2508 176.9596 558324.7849 6.3681 6.4339 PRESSURE: 595800 99.7648 -57.6213 -228.983 -57.6201 215.61 66.0434 -228.982 66.0438 145.975 GPRESSURE: 595800 90.3258 -52.6836 -268.274 -92.8646 227.019 14.3634 -289.349 141.53 240.098 PRESSAVG: 595800 -34.2429 11.7154 -84.4446 11.7153 -45.8797 25.5628 -84.4446 25.5628 88.8351 GPRESSAVG: 595800 -33.1555 12.7194 -85.0181 8.45511 -47.9584 26.5525 -85.2063 23.8223 89.5667 TIMING: 595800 CPU: 1774.39, 0.00300584/step Wall: 1774.39, 0.00300584/step, 3.67731 hours remaining, 207.507812 MB of memory in use. ENERGY: 595800 710.0624 2037.9533 1899.3469 116.5415 -206347.0187 17905.7980 0.0000 0.0000 34324.1797 -149353.1368 299.7616 -183677.3165 -149255.1905 298.2604 153.7831 185.8140 557402.1550 2.9042 2.8176 PRESSURE: 596000 -39.556 62.012 -79.0076 62.0113 43.7435 108.711 -79.0089 108.713 135.346 GPRESSURE: 596000 -33.3761 19.0505 -155.548 120.512 126.018 133.316 -21.3423 22.4091 129.458 PRESSAVG: 596000 25.964 39.6898 15.3895 39.6899 38.6886 21.7614 15.3896 21.7614 10.4636 GPRESSAVG: 596000 24.7196 38.9022 15.1009 40.8965 39.9086 21.1505 15.5173 20.8369 10.7275 TIMING: 596000 CPU: 1774.99, 0.00297433/step Wall: 1774.99, 0.00297433/step, 3.6386 hours remaining, 207.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 596000 789.4372 2094.0702 1939.2772 113.5073 -206498.0567 18002.1136 0.0000 0.0000 34174.7112 -149384.9400 298.4563 -183559.6512 -149286.1641 299.0393 46.5112 74.0332 557713.6661 25.0387 25.1186 PRESSURE: 596200 -49.976 174.746 99.4919 174.745 -62.6929 134.37 99.4911 134.37 -138.898 GPRESSURE: 596200 -22.7556 106.903 48.0446 147.511 -11.5855 164.297 235.846 54.9296 -107.566 PRESSAVG: 596200 5.14635 42.3167 -5.2721 42.3166 -57.6385 33.1905 -5.27211 33.1905 55.362 GPRESSAVG: 596200 5.64658 44.2642 -4.58853 40.7931 -58.5166 32.9439 -3.86402 33.0592 55.1206 TIMING: 596200 CPU: 1775.58, 0.00297504/step Wall: 1775.58, 0.00297504/step, 3.6393 hours remaining, 207.507812 MB of memory in use. ENERGY: 596200 753.3673 2136.5715 1942.6319 111.7658 -206149.3950 17727.8404 0.0000 0.0000 34081.0124 -149396.2057 297.6380 -183477.2181 -149289.7601 298.8528 -83.8557 -47.3022 559111.0170 0.9566 0.7502 LDB: ============= START OF LOAD BALANCING ============== 1779.13 LDB: ============== END OF LOAD BALANCING =============== 1779.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1779.13 LDB: ============= START OF LOAD BALANCING ============== 1779.43 LDB: Largest compute 4796 load 0.029179 is 24.7% of average load 0.118128 LDB: Average compute 0.001738 is 1.5% of average load 0.118128 LDB: TIME 1779.43 LOAD: AVG 0.118128 MAX 0.206159 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.996 MB LDB: TIME 1779.43 LOAD: AVG 0.118128 MAX 0.206159 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207 MB LDB: TIME 1779.43 LOAD: AVG 0.118128 MAX 0.206159 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1779.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1779.44 PRESSURE: 596400 17.6708 39.3519 67.5838 39.3529 -206.906 65.4156 67.5847 65.4143 53.7156 GPRESSURE: 596400 140.903 95.5065 -10.6439 27.0351 -200.163 172.271 -1.72022 -4.13032 32.5902 PRESSAVG: 596400 -14.7 45.05 -11.5862 45.05 -11.8052 17.3766 -11.5862 17.3765 13.2734 GPRESSAVG: 596400 -13.5733 44.0975 -12.3662 46.1122 -12.3293 19.1609 -12.7132 16.4888 12.4474 TIMING: 596400 CPU: 1776.19, 0.00302314/step Wall: 1776.19, 0.00302314/step, 3.69797 hours remaining, 207.195312 MB of memory in use. ENERGY: 596400 756.7078 2083.0066 1945.2277 122.6311 -206394.6779 17765.6965 0.0000 0.0000 34164.1434 -149557.2648 298.3640 -183721.4081 -149463.6294 297.9905 -45.1732 -8.8900 557083.0664 -4.4106 -4.4851 PRESSURE: 596600 98.5772 14.2456 -107.232 14.2474 86.2824 -104.127 -107.23 -104.126 221.761 GPRESSURE: 596600 127.096 49.426 -85.7333 104.03 128.703 -107.492 -97.9108 -63.6287 247.24 PRESSAVG: 596600 15.7533 50.4076 -19.7901 50.4076 -7.48974 -20.1188 -19.7901 -20.1189 -41.8958 GPRESSAVG: 596600 14.5182 51.3645 -17.2301 48.5913 -5.99876 -20.9687 -20.3156 -18.977 -42.4854 TIMING: 596600 CPU: 1776.78, 0.00297444/step Wall: 1776.78, 0.00297444/step, 3.63823 hours remaining, 207.398438 MB of memory in use. ENERGY: 596600 720.5897 2073.2812 1918.1830 107.6218 -206808.9399 18121.5077 0.0000 0.0000 34335.6880 -149532.0685 299.8621 -183867.7565 -149433.4704 298.1068 135.5401 167.6799 556834.6411 -11.2108 -11.3220 PRESSURE: 596800 -34.2068 67.1688 33.6287 67.1693 66.8483 -105.862 33.6279 -105.864 -35.8384 GPRESSURE: 596800 14.0466 52.4326 99.4995 95.8634 104.201 -28.6146 156.766 -58.7593 -19.0206 PRESSAVG: 596800 30.9409 32.6835 13.2145 32.6837 -35.3067 0.335408 13.2145 0.335435 -9.56338 GPRESSAVG: 596800 30.8732 32.1216 12.2204 33.6034 -36.4 -1.185 14.04 0.581615 -8.54485 TIMING: 596800 CPU: 1777.37, 0.00292677/step Wall: 1777.37, 0.00292677/step, 3.57976 hours remaining, 207.398438 MB of memory in use. ENERGY: 596800 728.3889 2062.4705 1942.0401 113.1962 -206029.8708 17738.7243 0.0000 0.0000 34008.3162 -149436.7346 297.0031 -183445.0508 -149336.9139 297.7565 -1.0656 33.0757 558119.3839 -4.6431 -4.6906 PRESSURE: 597000 -289.087 -58.2942 -26.5487 -58.2947 279.421 34.7304 -26.5503 34.7316 -93.0804 GPRESSURE: 597000 -269.928 -153.799 4.83171 -39.616 313.314 -18.0297 55.0173 96.8227 -34.067 PRESSAVG: 597000 -72.7447 41.5299 15.5947 41.5298 5.81543 20.5947 15.5948 20.5946 36.2793 GPRESSAVG: 597000 -73.2323 41.5596 13.9341 41.0161 6.02342 22.4985 17.0731 18.7778 36.5608 TIMING: 597000 CPU: 1777.96, 0.00294331/step Wall: 1777.96, 0.00294331/step, 3.59983 hours remaining, 207.398438 MB of memory in use. ENERGY: 597000 755.0691 2060.9615 1959.6327 124.8930 -206126.0750 17879.1970 0.0000 0.0000 33971.8414 -149374.4803 296.6845 -183346.3217 -149279.0221 297.5981 -34.2488 3.1064 557516.8696 -10.2167 -10.2160 PRESSURE: 597200 143.29 48.5144 -16.4274 48.5133 120.384 -225.072 -16.4267 -225.073 -283.198 GPRESSURE: 597200 122.822 2.33201 -25.4323 72.4577 162.67 -220.092 0.441806 -223.726 -206.787 PRESSAVG: 597200 -63.8809 -5.53239 -31.9158 -5.53239 83.5004 10.1756 -31.9158 10.1756 -47.3492 GPRESSAVG: 597200 -62.6269 -6.13963 -31.3029 -6.70718 83.443 8.80355 -32.1117 12.7411 -48.668 TIMING: 597200 CPU: 1778.54, 0.00293258/step Wall: 1778.54, 0.00293258/step, 3.58654 hours remaining, 207.398438 MB of memory in use. ENERGY: 597200 757.9790 2037.1253 1918.7426 118.5174 -205941.6833 17757.2403 0.0000 0.0000 34145.2942 -149206.7846 298.1993 -183352.0788 -149104.8955 298.4609 -6.5078 26.2351 557396.7116 -9.2432 -9.2840 PRESSURE: 597400 50.2 -50.5639 -25.0242 -50.565 211.104 -27.3942 -25.0224 -27.3932 -193.885 GPRESSURE: 597400 98.7481 43.4729 -66.6222 -91.9168 273.69 -32.1325 -3.24761 -51.5243 -197.217 PRESSAVG: 597400 67.6572 -26.4259 1.81014 -26.4259 67.8286 -13.1976 1.81016 -13.1976 -91.6238 GPRESSAVG: 597400 68.4212 -25.0354 3.43186 -24.352 66.8461 -14.1754 -2.00368 -13.0203 -91.7087 TIMING: 597400 CPU: 1779.13, 0.00294599/step Wall: 1779.13, 0.00294599/step, 3.60278 hours remaining, 207.398438 MB of memory in use. ENERGY: 597400 751.6775 2054.6517 1913.4372 108.4034 -206122.6324 17930.4581 0.0000 0.0000 34092.9221 -149271.0824 297.7420 -183364.0045 -149179.9496 298.9089 22.4732 58.4069 558657.5747 14.6207 14.5196 PRESSURE: 597600 -262.256 43.8125 17.0327 43.8111 -59.5141 27.5273 17.0336 27.5284 -14.7725 GPRESSURE: 597600 -193.485 69.1428 29.6846 66.3256 -33.3159 24.2537 17.5902 -53.268 -19.6653 PRESSAVG: 597600 -19.9225 -9.74718 -23.1389 -9.74719 -42.7396 -31.5809 -23.1389 -31.5807 42.698 GPRESSAVG: 597600 -22.1822 -10.4568 -24.6281 -8.90752 -43.5469 -31.8142 -21.7286 -31.9476 45.4872 TIMING: 597600 CPU: 1779.72, 0.00295375/step Wall: 1779.72, 0.00295375/step, 3.61211 hours remaining, 207.398438 MB of memory in use. ENERGY: 597600 751.2722 2116.0186 1916.6769 115.9584 -205879.0957 17567.0138 0.0000 0.0000 34131.0085 -149281.1473 298.0746 -183412.1558 -149181.8313 298.9679 -112.1808 -82.1554 557812.8520 -6.6547 -6.7473 PRESSURE: 597800 -218.726 119.356 -7.43886 119.356 -153.691 113.436 -7.43902 113.437 -93.0077 GPRESSURE: 597800 -187.799 192.945 80.7889 83.7443 -121.306 193.179 -47.7182 150.552 -47.051 PRESSAVG: 597800 -58.9563 27.137 52.6892 27.137 24.0642 -1.35164 52.6892 -1.35162 38.7681 GPRESSAVG: 597800 -57.0596 27.8137 54.3538 25.8439 24.4602 -1.14441 51.2148 -1.31567 36.0295 TIMING: 597800 CPU: 1780.32, 0.00296782/step Wall: 1780.32, 0.00296782/step, 3.62915 hours remaining, 207.398438 MB of memory in use. ENERGY: 597800 773.5813 2087.0589 1907.3320 106.6404 -205940.7891 17646.9046 0.0000 0.0000 34222.2641 -149197.0078 298.8715 -183419.2719 -149092.5221 299.0985 -155.1415 -118.7189 556929.6141 1.2920 1.1434 PRESSURE: 598000 276.741 27.2142 -59.0654 27.2142 -107.95 12.2891 -59.0656 12.29 361.174 GPRESSURE: 598000 292.306 -50.6354 -19.1562 -23.4478 -100.771 -22.7674 16.0649 69.1199 434.352 PRESSAVG: 598000 -16.097 68.602 74.4891 68.6021 50.1482 3.37936 74.4891 3.37937 -10.2329 GPRESSAVG: 598000 -17.7461 66.9436 71.9719 67.218 50.1469 6.37091 78.4486 4.17353 -8.84075 TIMING: 598000 CPU: 1780.91, 0.00298549/step Wall: 1780.91, 0.00298549/step, 3.65059 hours remaining, 207.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 598000 723.9348 2098.1893 1985.6276 110.8683 -206510.2643 18113.0640 0.0000 0.0000 34371.3793 -149107.2009 300.1738 -183478.5802 -149014.9030 299.2951 176.6549 208.6290 556890.1899 7.9394 7.8533 PRESSURE: 598200 -130.206 36.3724 -82.947 36.3731 172.175 -26.3913 -82.9476 -26.3909 -167.435 GPRESSURE: 598200 -67.9381 106.691 -62.9053 -42.9947 192.659 10.8318 -89.2835 -49.7015 -152.913 PRESSAVG: 598200 13.3402 3.8249 -46.1521 3.82488 -10.5144 28.8484 -46.1521 28.8485 -15.6397 GPRESSAVG: 598200 14.2046 3.49542 -44.3109 4.68606 -9.64073 26.6745 -47.9561 28.0896 -17.9209 TIMING: 598200 CPU: 1781.51, 0.00296597/step Wall: 1781.51, 0.00296597/step, 3.62655 hours remaining, 207.398438 MB of memory in use. ENERGY: 598200 745.9233 2092.0620 1927.4887 112.0419 -206215.8368 17862.1977 0.0000 0.0000 34388.9915 -149087.1318 300.3276 -183476.1233 -148988.3232 299.3325 -41.8220 -9.3972 558135.6651 -4.2713 -4.4523 PRESSURE: 598400 84.0461 -37.3769 -44.8047 -37.3776 143.753 138.381 -44.8045 138.382 -132.241 GPRESSURE: 598400 108.89 10.6135 -6.65584 -52.1184 185.909 97.9084 -52.8492 169.599 -105.36 PRESSAVG: 598400 33.3259 48.1896 -25.543 48.1896 16.5204 52.2422 -25.5429 52.242 -1.91449 GPRESSAVG: 598400 32.6695 48.8512 -26.0068 47.7162 16.0571 53.9453 -26.2642 53.0528 -1.41261 TIMING: 598400 CPU: 1782.1, 0.00298925/step Wall: 1782.1, 0.00298925/step, 3.65485 hours remaining, 207.398438 MB of memory in use. ENERGY: 598400 734.4670 2081.7780 1921.7808 120.8232 -206297.0608 17829.8822 0.0000 0.0000 34420.5991 -149187.7305 300.6037 -183608.3296 -149083.3719 300.2483 31.8526 63.1466 555942.4817 15.9772 15.7713 PRESSURE: 598600 -233.719 72.003 52.943 72.0024 -107.285 199.546 52.9429 199.547 -11.563 GPRESSURE: 598600 -164.618 60.5558 34.0831 30.5125 -99.4721 134.945 34.5206 244.174 22.3935 PRESSAVG: 598600 -3.45219 59.6547 31.413 59.6548 23.5762 31.1421 31.4129 31.1422 -58.8794 GPRESSAVG: 598600 -1.24633 60.6148 31.1728 59.0902 21.9668 31.7179 31.8501 30.1704 -59.5688 TIMING: 598600 CPU: 1782.7, 0.00298069/step Wall: 1782.7, 0.00298069/step, 3.64422 hours remaining, 207.398438 MB of memory in use. ENERGY: 598600 733.1324 2056.5980 1950.6026 102.5341 -205982.4947 17649.0641 0.0000 0.0000 34255.0593 -149235.5043 299.1580 -183490.5635 -149135.1308 299.7162 -117.5221 -80.5655 556680.1134 -12.9185 -12.9494 PRESSURE: 598800 166.793 -31.2378 -142.33 -31.2378 -126.128 96.3633 -142.33 96.3624 21.8764 GPRESSURE: 598800 195.668 -101.032 -190.874 -37.042 -78.5274 54.6658 -161.818 124.881 39.6998 PRESSAVG: 598800 51.0881 13.3264 -6.89641 13.3263 12.2958 65.2342 -6.89645 65.2343 -72.277 GPRESSAVG: 598800 48.5935 13.8191 -6.24468 14.2366 13.4997 63.7341 -9.54952 66.1076 -71.1648 TIMING: 598800 CPU: 1783.3, 0.00301539/step Wall: 1783.3, 0.00301539/step, 3.68648 hours remaining, 207.398438 MB of memory in use. ENERGY: 598800 708.1030 2048.0379 1939.0790 116.5307 -205679.6324 17583.3575 0.0000 0.0000 34055.7255 -149228.7989 297.4171 -183284.5244 -149131.4058 298.7206 20.8471 52.2802 556294.3874 -2.9644 -3.0239 PRESSURE: 599000 -33.2948 104.39 51.2868 104.389 -0.366032 -41.4735 51.2862 -41.4727 -331.934 GPRESSURE: 599000 -20.534 -9.58842 95.8285 217.171 87.9621 -38.3008 -5.02481 -28.4836 -326.356 PRESSAVG: 599000 33.2982 55.6266 -69.6339 55.6267 51.4345 -35.9432 -69.6339 -35.9432 -58.2817 GPRESSAVG: 599000 34.3674 53.5678 -70.8031 54.6392 50.4777 -35.1774 -67.5255 -35.6089 -58.2353 TIMING: 599000 CPU: 1783.9, 0.00298545/step Wall: 1783.9, 0.00298545/step, 3.64972 hours remaining, 207.398438 MB of memory in use. ENERGY: 599000 753.0678 2087.6404 1938.2365 105.0403 -205998.2669 17665.7283 0.0000 0.0000 34372.3608 -149076.1927 300.1824 -183448.5536 -148986.2299 299.3310 -121.8650 -86.3092 558395.8785 8.8170 8.8699 PRESSURE: 599200 321.643 6.60452 181.752 6.6046 -16.5583 -89.842 181.752 -89.8405 314.476 GPRESSURE: 599200 372.831 1.49871 146.093 -83.2012 -35.6366 -183.618 212.309 -97.4183 375.592 PRESSAVG: 599200 14.3964 -12.515 -63.3266 -12.5151 -5.04579 -17.1507 -63.3265 -17.1506 -1.87752 GPRESSAVG: 599200 14.1934 -11.6133 -64.3145 -10.8317 -4.53951 -17.769 -63.6762 -17.996 -2.35459 TIMING: 599200 CPU: 1784.5, 0.00299537/step Wall: 1784.5, 0.00299537/step, 3.66168 hours remaining, 207.398438 MB of memory in use. ENERGY: 599200 755.3022 2113.3705 1907.4513 117.1193 -206443.3201 18252.7515 0.0000 0.0000 33946.1153 -149351.2100 296.4599 -183297.3253 -149256.6391 298.6883 206.5202 237.5955 557802.2040 2.4910 2.4331 PRESSURE: 599400 -5.00922 -4.07685 128.857 -4.07802 -68.2037 -155.612 128.857 -155.613 -256.291 GPRESSURE: 599400 4.41877 19.0149 99.3955 -37.8452 -25.9415 -139.498 77.8739 -159.89 -239.864 PRESSAVG: 599400 2.93496 3.34643 13.4396 3.34643 -0.864473 -59.2657 13.4397 -59.2658 31.3115 GPRESSAVG: 599400 3.04497 5.08657 15.2239 1.20085 -0.642435 -59.1542 12.0654 -58.0009 30.5483 TIMING: 599400 CPU: 1785.1, 0.00299502/step Wall: 1785.1, 0.00299502/step, 3.66108 hours remaining, 207.398438 MB of memory in use. ENERGY: 599400 752.9575 2108.6780 1975.0888 106.9405 -205999.5398 17685.7385 0.0000 0.0000 34186.2288 -149183.9078 298.5568 -183370.1365 -149076.8243 299.1846 -109.8348 -87.1289 559226.0474 11.1273 10.9836 PRESSURE: 599600 77.9226 -1.45798 -169.424 -1.45672 174.843 -222.126 -169.424 -222.126 -204.526 GPRESSURE: 599600 78.4886 -16.3342 -184.138 35.1655 195.06 -212.792 -110.124 -88.4741 -141.901 PRESSAVG: 599600 19.0343 -20.0653 -25.4645 -20.0653 3.23846 -53.903 -25.4646 -53.9031 6.2619 GPRESSAVG: 599600 17.9591 -22.1698 -24.5184 -19.2091 2.32518 -52.4973 -25.944 -56.3593 7.75892 TIMING: 599600 CPU: 1785.69, 0.00297505/step Wall: 1785.69, 0.00297505/step, 3.6365 hours remaining, 207.398438 MB of memory in use. ENERGY: 599600 750.2075 2096.5626 1940.5877 126.5307 -206286.5689 17831.6646 0.0000 0.0000 34291.4189 -149249.5970 299.4755 -183541.0159 -149148.7892 299.8889 16.0801 43.8823 557285.7908 9.5115 9.3477 PRESSURE: 599800 58.9729 -50.0152 -90.0528 -50.0154 -244.188 122.108 -90.0528 122.108 -3.40001 GPRESSURE: 599800 84.1683 11.5749 -80.7106 -84.1465 -239.167 -12.7202 -81.5648 115.628 58.7658 PRESSAVG: 599800 23.3509 27.7803 -88.1456 27.7802 -59.788 10.1347 -88.1455 10.1347 -33.5827 GPRESSAVG: 599800 23.6031 29.2992 -87.8588 26.7293 -59.6358 8.61408 -87.2699 12.0201 -34.4577 TIMING: 599800 CPU: 1786.29, 0.00297448/step Wall: 1786.29, 0.00297448/step, 3.63564 hours remaining, 207.398438 MB of memory in use. ENERGY: 599800 711.1027 2102.0850 1936.5231 117.5166 -206168.7890 17737.8511 0.0000 0.0000 34226.2906 -149337.4200 298.9067 -183563.7106 -149243.8795 299.9161 -62.8717 -32.0775 557284.0533 -23.3399 -23.4968 PRESSURE: 600000 227.7 125.659 -39.6619 125.659 -3.69232 6.47828 -39.6615 6.47749 -8.98976 GPRESSURE: 600000 292.207 87.1579 34.5155 155.822 19.3236 18.2911 -25.008 -99.0714 5.79168 PRESSAVG: 600000 66.0502 -32.0963 4.05992 -32.0962 -23.326 7.38821 4.05987 7.38826 -24.9903 GPRESSAVG: 600000 66.7754 -33.4874 3.21918 -28.0319 -23.906 8.56129 5.5278 7.08232 -25.1935 TIMING: 600000 CPU: 1786.89, 0.00299665/step Wall: 1786.89, 0.00299665/step, 3.66257 hours remaining, 207.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 600000 738.6834 2152.2135 1939.5518 106.4850 -206523.1419 18020.3462 0.0000 0.0000 34223.8896 -149341.9724 298.8857 -183565.8620 -149249.2564 299.2189 71.6725 105.7742 557059.7782 5.9113 5.8920 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 600000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 600000 WRITING COORDINATES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART COORDINATES The last position output (seq=600000) takes 0.010 seconds, 207.398 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 600200 56.8475 74.309 87.7005 74.3084 152.481 -12.3731 87.7008 -12.372 42.0977 GPRESSURE: 600200 88.6846 29.6818 156.907 178.272 149.67 -21.2493 75.1014 3.72649 108.463 PRESSAVG: 600200 -50.2725 15.4603 18.5152 15.4603 3.53649 -17.3977 18.5152 -17.3978 46.6531 GPRESSAVG: 600200 -51.4052 16.0323 17.2339 12.2155 4.86582 -17.4211 18.1269 -16.7403 46.3378 TIMING: 600200 CPU: 1787.5, 0.00307378/step Wall: 1787.5, 0.00307378/step, 3.75668 hours remaining, 207.523438 MB of memory in use. ENERGY: 600200 737.8086 2109.2360 1954.7096 125.4292 -206095.8274 17924.6488 0.0000 0.0000 33927.5989 -149316.3964 296.2982 -183243.9953 -149228.2554 298.9079 83.8087 115.6059 558888.0976 -0.0276 -0.0672 LDB: ============= START OF LOAD BALANCING ============== 1791.05 LDB: ============== END OF LOAD BALANCING =============== 1791.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1791.05 LDB: ============= START OF LOAD BALANCING ============== 1791.35 LDB: Largest compute 4796 load 0.029102 is 24.6% of average load 0.118067 LDB: Average compute 0.001738 is 1.5% of average load 0.118067 LDB: TIME 1791.36 LOAD: AVG 0.118067 MAX 0.206296 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.453 MB LDB: TIME 1791.36 LOAD: AVG 0.118067 MAX 0.206296 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.453 MB LDB: TIME 1791.36 LOAD: AVG 0.118067 MAX 0.206296 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.453 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1791.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1791.36 PRESSURE: 600400 63.9435 105.794 26.5894 105.794 21.2097 51.8284 26.5905 51.8283 -119.835 GPRESSURE: 600400 111.867 127.573 16.697 132.355 -2.06516 100.441 87.5623 98.5745 -49.1207 PRESSAVG: 600400 -50.8807 34.4825 -8.06558 34.4825 81.5891 1.36928 -8.06548 1.36923 10.7193 GPRESSAVG: 600400 -50.2009 32.1858 -8.95606 35.4096 81.1002 -1.34337 -7.80821 2.58451 10.9903 TIMING: 600400 CPU: 1788.11, 0.0030426/step Wall: 1788.11, 0.0030426/step, 3.71839 hours remaining, 206.746094 MB of memory in use. ENERGY: 600400 715.6184 2137.0171 1956.7401 103.5695 -206550.1885 17940.3864 0.0000 0.0000 34398.7472 -149298.1099 300.4128 -183696.8571 -149196.1315 299.1438 -11.5605 20.2269 557451.4250 13.8092 13.9632 PRESSURE: 600600 -235.348 -172.204 -85.3011 -172.204 63.4121 16.3625 -85.3017 16.3634 -179.953 GPRESSURE: 600600 -215.712 -189.677 -99.3667 -229.161 90.8554 54.1381 32.4369 -60.8946 -130.627 PRESSAVG: 600600 9.32309 -24.4132 -32.0656 -24.4132 31.7228 -10.7977 -32.0656 -10.7978 -29.2777 GPRESSAVG: 600600 9.74585 -23.6244 -31.2126 -25.5253 30.8605 -7.63684 -33.2825 -12.169 -28.2198 TIMING: 600600 CPU: 1788.71, 0.00298422/step Wall: 1788.71, 0.00298422/step, 3.64688 hours remaining, 206.746094 MB of memory in use. ENERGY: 600600 756.2934 2142.1999 1937.3137 108.4129 -206291.4467 17801.8838 0.0000 0.0000 34300.7715 -149244.5714 299.5572 -183545.3429 -149148.6745 299.5890 -117.2962 -85.1613 556642.7261 3.9227 4.1289 PRESSURE: 600800 163.084 21.628 61.3352 21.6291 255.853 -102.617 61.3378 -102.617 206.117 GPRESSURE: 600800 242.492 -26.7103 40.7381 9.07513 254.22 -77.5567 28.2251 -145.503 219.187 PRESSAVG: 600800 -26.5535 -3.49559 8.9648 -3.49564 -6.55194 9.07262 8.96478 9.07267 63.6069 GPRESSAVG: 600800 -25.9651 -2.76803 8.73266 -2.42456 -5.5415 6.55121 10.6832 7.61955 61.8738 TIMING: 600800 CPU: 1789.31, 0.00299557/step Wall: 1789.31, 0.00299557/step, 3.66058 hours remaining, 206.746094 MB of memory in use. ENERGY: 600800 719.9848 2087.9094 1933.6595 114.3754 -206536.3346 18090.4536 0.0000 0.0000 34265.7090 -149324.2429 299.2510 -183589.9519 -149231.5688 299.5206 208.3512 238.6330 557157.9768 10.1671 10.1224 PRESSURE: 601000 -201.073 -23.8035 -101.599 -23.8034 -353.969 -10.9466 -101.599 -10.9479 40.9398 GPRESSURE: 601000 -151.237 -107.599 -80.4162 63.6348 -301.767 2.49265 -76.9651 -92.1349 34.8779 PRESSAVG: 601000 21.2693 19.0184 3.0529 19.0186 -11.591 -9.87252 3.05289 -9.87241 32.0483 GPRESSAVG: 601000 20.8067 16.8126 3.3085 21.2425 -11.9248 -7.72415 4.37324 -11.1903 32.9293 TIMING: 601000 CPU: 1789.91, 0.00299274/step Wall: 1789.91, 0.00299274/step, 3.65697 hours remaining, 206.746094 MB of memory in use. ENERGY: 601000 734.9009 2082.3469 1930.1478 114.5864 -206052.0878 17550.9694 0.0000 0.0000 34250.9036 -149388.2326 299.1217 -183639.1363 -149291.2609 299.9746 -171.3672 -139.3752 558143.8110 13.9088 13.9371 PRESSURE: 601200 128.95 -15.3373 64.4674 -15.3371 -80.4481 120.174 64.4686 120.174 157.992 GPRESSURE: 601200 148.529 -20.8313 115.135 -21.1768 -43.7676 72.6777 27.85 121.762 184.249 PRESSAVG: 601200 49.9174 -1.02867 -18.6297 -1.02867 -48.8264 -8.16029 -18.6297 -8.16033 12.5147 GPRESSAVG: 601200 50.1721 1.23196 -20.2257 -2.11158 -48.53 -8.15383 -18.3889 -7.08453 12.4001 TIMING: 601200 CPU: 1790.5, 0.00297195/step Wall: 1790.5, 0.00297195/step, 3.6314 hours remaining, 206.746094 MB of memory in use. ENERGY: 601200 754.6141 2052.3023 1928.1455 108.2574 -206342.1500 17915.2151 0.0000 0.0000 34214.2811 -149369.3344 298.8018 -183583.6155 -149274.1433 298.7526 68.8315 96.3368 556675.8107 4.5352 4.6808 PRESSURE: 601400 242.335 -83.8061 126.808 -83.8078 -176.803 134.566 126.806 134.566 237.907 GPRESSURE: 601400 281.952 -48.7563 37.4415 -88.4445 -171.101 165.866 102.275 -36.3022 292.45 PRESSAVG: 601400 67.2061 -15.7947 37.7112 -15.7946 -63.3999 17.594 37.7113 17.594 52.1748 GPRESSAVG: 601400 65.858 -17.325 39.0233 -16.3811 -63.6142 16.3456 36.1308 17.3835 54.0843 TIMING: 601400 CPU: 1791.1, 0.00297886/step Wall: 1791.1, 0.00297886/step, 3.63967 hours remaining, 206.746094 MB of memory in use. ENERGY: 601400 767.2977 2133.4282 1901.1161 103.2568 -206462.3439 17968.7360 0.0000 0.0000 34097.6858 -149490.8234 297.7836 -183588.5091 -149395.0370 298.4808 101.1462 134.4333 558493.6362 18.6603 18.7760 PRESSURE: 601600 -114.657 -85.1274 9.37478 -85.1266 3.75688 76.5849 9.37543 76.5851 51.2162 GPRESSURE: 601600 -59.4456 -121.421 30.1329 -19.0882 50.049 39.3619 3.62829 170.657 56.0689 PRESSAVG: 601600 29.8775 -52.8874 1.59109 -52.8873 -54.3719 17.8632 1.5911 17.8632 28.1727 GPRESSAVG: 601600 32.2127 -51.4368 3.06505 -52.7527 -53.4782 18.4791 0.453206 19.5854 25.3248 TIMING: 601600 CPU: 1791.69, 0.00296745/step Wall: 1791.69, 0.00296745/step, 3.62556 hours remaining, 206.746094 MB of memory in use. ENERGY: 601600 745.7311 2058.6885 1938.0034 117.2669 -206316.8683 17792.2717 0.0000 0.0000 34304.8885 -149360.0181 299.5931 -183664.9066 -149266.4708 298.7545 -19.8945 15.5574 556757.8326 1.2261 1.3531 PRESSURE: 601800 -171.558 -113.805 93.4185 -113.805 -73.4355 -120.044 93.4186 -120.044 -157.91 GPRESSURE: 601800 -190.884 -32.7934 75.4137 -196.754 -16.5641 -85.9857 62.672 -188.445 -97.5465 PRESSAVG: 601800 6.01051 -31.49 29.8996 -31.4899 -15.5891 23.5425 29.8997 23.5426 8.55892 GPRESSAVG: 601800 4.1091 -32.2396 29.1785 -28.923 -14.8557 23.512 32.5637 20.8373 9.45439 TIMING: 601800 CPU: 1792.28, 0.00296875/step Wall: 1792.28, 0.00296875/step, 3.62698 hours remaining, 206.746094 MB of memory in use. ENERGY: 601800 730.6758 2099.8341 1920.7892 115.6718 -205985.5773 17493.0730 0.0000 0.0000 34153.3960 -149472.1374 298.2701 -183625.5334 -149372.2644 298.8070 -134.3011 -101.6649 558030.4061 -0.3399 -0.4307 PRESSURE: 602000 -262.792 -100.115 131.067 -100.114 -50.8855 149.346 131.066 149.347 141.427 GPRESSURE: 602000 -225.458 -118.951 124.521 -33.0894 2.41194 173.742 72.5599 3.15348 150.533 PRESSAVG: 602000 -39.785 -69.9732 -1.14746 -69.9731 0.325298 18.9037 -1.14742 18.9038 53.6457 GPRESSAVG: 602000 -39.0874 -68.5177 -2.42214 -73.5034 -1.57947 18.0827 -3.64193 19.1434 54.4273 TIMING: 602000 CPU: 1792.89, 0.00301208/step Wall: 1792.89, 0.00301208/step, 3.67976 hours remaining, 206.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 602000 735.4585 2142.9261 1917.8922 110.8719 -206700.2247 17976.0179 0.0000 0.0000 34224.3472 -149592.7109 298.8897 -183817.0581 -149494.3926 298.0770 -57.4165 -24.1709 558188.7080 4.7287 4.5868 PRESSURE: 602200 -105.511 3.15886 111.687 3.15963 -221.516 167.304 111.688 167.305 -289.603 GPRESSURE: 602200 -94.0678 -12.79 137.706 22.0537 -189.591 203.555 58.4716 141.203 -235.823 PRESSAVG: 602200 90.2187 -21.6746 42.0315 -21.6745 17.9629 0.0642616 42.0314 0.0643444 -73.737 GPRESSAVG: 602200 90.2295 -22.3058 42.7976 -19.9781 18.6281 -0.165551 41.2973 1.81944 -74.6411 TIMING: 602200 CPU: 1793.49, 0.00300588/step Wall: 1793.49, 0.00300588/step, 3.67202 hours remaining, 206.746094 MB of memory in use. ENERGY: 602200 762.4757 2118.5713 1941.4795 132.2430 -206558.9123 17803.7420 0.0000 0.0000 34236.6006 -149563.8003 298.9967 -183800.4009 -149468.2655 298.5352 -205.5432 -173.1608 557601.6171 11.4816 11.4055 PRESSURE: 602400 -117.023 -10.3598 64.1789 -10.358 107.592 158.752 64.1774 158.751 -87.9914 GPRESSURE: 602400 -103.553 1.23803 62.855 5.50676 165.047 127.867 111.446 99.2233 -63.0906 PRESSAVG: 602400 82.8129 -24.22 61.1917 -24.2199 -66.9485 -8.98301 61.1917 -8.98291 -6.41227 GPRESSAVG: 602400 82.2058 -23.2518 62.5489 -26.9148 -65.8921 -7.77355 62.1182 -8.12368 -6.75446 TIMING: 602400 CPU: 1794.09, 0.00301005/step Wall: 1794.09, 0.00301005/step, 3.67694 hours remaining, 206.746094 MB of memory in use. ENERGY: 602400 752.4227 2104.2120 1935.8671 116.5498 -206457.6128 17938.9333 0.0000 0.0000 34170.4923 -149439.1357 298.4194 -183609.6279 -149335.4409 298.6084 -32.4738 -0.5322 557975.8543 3.1507 3.1864 PRESSURE: 602600 78.9028 25.5339 -138.124 25.5344 89.1314 86.8344 -138.124 86.8356 -117.203 GPRESSURE: 602600 111.799 5.27708 -78.4627 -33.4759 137.96 158.195 -93.9501 29.8048 -107.852 PRESSAVG: 602600 18.057 54.6293 35.4845 54.6293 -61.5295 1.46307 35.4845 1.4629 59.6382 GPRESSAVG: 602600 18.9092 51.8367 33.8736 56.2736 -62.5446 2.05231 36.9484 0.225819 59.2307 TIMING: 602600 CPU: 1794.7, 0.00303635/step Wall: 1794.7, 0.00303635/step, 3.7089 hours remaining, 206.746094 MB of memory in use. ENERGY: 602600 726.5919 2097.0132 1951.0747 113.5007 -206244.6450 17729.4240 0.0000 0.0000 34299.4118 -149327.6287 299.5453 -183627.0405 -149228.9839 298.9614 16.9437 47.3023 557444.1443 5.3886 5.1984 PRESSURE: 602800 34.5987 -88.0255 -42.2831 -88.0251 -109.577 76.8863 -42.2815 76.8858 -124.248 GPRESSURE: 602800 76.0792 -45.6931 -52.1665 -47.6432 -125.743 126.574 -68.7455 1.69186 -65.7461 PRESSAVG: 602800 -70.2632 47.2594 21.007 47.2595 30.9926 13.0574 21.0069 13.0575 42.5682 GPRESSAVG: 602800 -71.0424 47.7983 21.4918 47.3182 31.2457 12.808 19.2417 13.0125 43.5439 TIMING: 602800 CPU: 1795.31, 0.00304344/step Wall: 1795.31, 0.00304344/step, 3.7174 hours remaining, 206.746094 MB of memory in use. ENERGY: 602800 724.7643 2149.0760 1942.9857 104.7479 -206173.7914 17765.9138 0.0000 0.0000 34285.5893 -149200.7145 299.4246 -183486.3038 -149105.4926 299.3095 -66.4087 -38.4698 557513.5947 1.0992 1.2491 PRESSURE: 603000 98.8783 112.086 42.7245 112.086 -151.81 52.3686 42.7251 52.3684 -286.593 GPRESSURE: 603000 108.675 153.553 29.5393 151.79 -95.2012 -5.11532 -2.64355 20.3561 -257.257 PRESSAVG: 603000 -6.0695 38.9128 -29.3324 38.9129 5.34014 -36.9397 -29.3325 -36.9396 -6.28141 GPRESSAVG: 603000 -6.68341 40.3476 -27.7011 39.1041 6.22289 -36.2703 -29.1294 -36.3231 -6.46184 TIMING: 603000 CPU: 1795.91, 0.00301734/step Wall: 1795.91, 0.00301734/step, 3.68535 hours remaining, 206.746094 MB of memory in use. ENERGY: 603000 728.4572 2115.9222 1955.5608 125.1474 -205735.6870 17424.0169 0.0000 0.0000 34184.9478 -149201.6347 298.5457 -183386.5825 -149106.2269 299.5660 -113.1748 -81.2611 557017.1202 -2.3369 -2.3075 PRESSURE: 603200 12.0637 -94.2389 -146.538 -94.2391 -174.382 74.1992 -146.537 74.1995 184.4 GPRESSURE: 603200 54.1457 -5.89606 -112.956 -23.2477 -177.768 24.8967 -140.282 111.146 239.711 PRESSAVG: 603200 15.3563 12.1968 47.7099 12.1967 -61.748 -48.0018 47.7099 -48.0017 39.3204 GPRESSAVG: 603200 16.7234 13.7402 47.3517 12.2687 -62.9771 -48.6741 48.5739 -51.0004 39.0381 TIMING: 603200 CPU: 1796.51, 0.00301/step Wall: 1796.51, 0.00301/step, 3.67621 hours remaining, 206.746094 MB of memory in use. ENERGY: 603200 783.4851 2113.4956 1961.4601 123.9903 -206460.9775 17936.6062 0.0000 0.0000 34395.5376 -149146.4026 300.3848 -183541.9402 -149051.7520 299.1261 7.3605 38.6964 556193.3245 -2.3571 -2.4052 PRESSURE: 603400 87.312 -56.7389 65.756 -56.7395 -244.751 130.45 65.7558 130.451 -36.0054 GPRESSURE: 603400 137.233 6.24667 122.372 -125.276 -225.204 41.92 23.1056 232.317 -5.12663 PRESSAVG: 603400 4.75402 9.70504 29.0666 9.70501 20.3883 -18.3686 29.0666 -18.3686 -6.60071 GPRESSAVG: 603400 3.28308 9.94575 28.4256 6.74809 21.6739 -18.4252 28.7421 -17.5463 -6.34559 TIMING: 603400 CPU: 1797.11, 0.00300192/step Wall: 1797.11, 0.00300192/step, 3.66618 hours remaining, 206.746094 MB of memory in use. ENERGY: 603400 735.2805 2069.9719 1940.3859 111.6648 -205802.5416 17565.6523 0.0000 0.0000 34225.5812 -149154.0050 298.9005 -183379.5862 -149062.2691 299.4491 -64.4816 -31.0324 557452.7762 6.1806 6.2038 PRESSURE: 603600 19.2278 9.24275 37.4078 9.24355 48.523 -188.177 37.4079 -188.175 -176.106 GPRESSURE: 603600 64.6985 42.9564 25.3586 5.63404 64.8639 -148.738 17.528 -228.54 -129.996 PRESSAVG: 603600 52.4547 23.2581 4.84177 23.258 -18.9067 -31.76 4.84177 -31.76 -47.2407 GPRESSAVG: 603600 52.249 22.4355 5.32865 24.7826 -19.206 -31.7182 3.79475 -30.5235 -46.7229 TIMING: 603600 CPU: 1797.7, 0.00295345/step Wall: 1797.7, 0.00295345/step, 3.60682 hours remaining, 206.746094 MB of memory in use. ENERGY: 603600 707.3050 2058.9690 1905.6383 101.4976 -205958.2253 17738.7633 0.0000 0.0000 34246.5939 -149199.4581 299.0840 -183446.0521 -149105.8572 299.2514 -36.1182 -0.1444 558611.0447 -4.5642 -4.5600 PRESSURE: 603800 92.7342 -151.043 85.3966 -151.043 2.5978 -14.3123 85.3966 -14.3134 78.3808 GPRESSURE: 603800 124.377 -138.058 70.83 -226.166 70.1101 -47.8732 141.956 81.9699 82.9111 PRESSAVG: 603800 -23.0468 -42.7578 9.22564 -42.7578 1.45856 -20.0317 9.22564 -20.0317 -5.76474 GPRESSAVG: 603800 -22.5833 -43.4207 8.64269 -40.8141 1.23626 -18.276 7.98719 -18.6729 -6.32476 TIMING: 603800 CPU: 1798.29, 0.00295125/step Wall: 1798.29, 0.00295125/step, 3.60397 hours remaining, 206.746094 MB of memory in use. ENERGY: 603800 768.9544 2059.1014 1949.7140 119.3098 -206218.9465 17939.9817 0.0000 0.0000 34312.0140 -149069.8712 299.6554 -183381.8853 -148968.4698 300.0191 57.9043 92.4659 558273.5173 -9.1177 -9.2239 PRESSURE: 604000 -124.096 65.1112 19.5876 65.1127 126.779 -33.3254 19.5894 -33.3258 86.2828 GPRESSURE: 604000 -123.663 93.5537 14.1338 76.7143 223.912 -50.2659 5.99878 -12.4296 81.4028 PRESSAVG: 604000 22.2792 -47.2334 -3.70487 -47.2333 -10.8991 -55.648 -3.70486 -55.6481 1.4649 GPRESSAVG: 604000 22.7855 -47.4141 -2.38646 -47.6942 -12.1129 -57.483 -1.89612 -56.3028 2.03164 TIMING: 604000 CPU: 1798.89, 0.00297882/step Wall: 1798.89, 0.00297882/step, 3.63747 hours remaining, 206.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 604000 765.8553 2100.7659 1919.9366 118.3426 -205981.5771 17876.4274 0.0000 0.0000 34383.3865 -148816.8627 300.2787 -183200.2492 -148727.8669 300.3180 29.6550 60.5506 557912.3931 4.2817 4.2347 PRESSURE: 604200 -192.194 157.357 175.568 157.357 33.1974 -34.7009 175.567 -34.7003 -82.633 GPRESSURE: 604200 -201.091 179.321 162.354 222.59 109.061 -106.91 101.694 97.1363 -49.0349 PRESSAVG: 604200 27.3721 -25.1377 -13.8996 -25.1376 -11.4511 -3.5761 -13.8997 -3.57601 17.1141 GPRESSAVG: 604200 27.356 -25.0489 -13.7096 -25.4067 -11.6139 -2.89865 -15.0893 -4.42264 17.8357 TIMING: 604200 CPU: 1799.49, 0.00301617/step Wall: 1799.49, 0.00301617/step, 3.68292 hours remaining, 206.746094 MB of memory in use. ENERGY: 604200 713.0690 2077.2374 1957.5213 114.3125 -205935.3854 17672.5957 0.0000 0.0000 34549.6552 -148850.9943 301.7307 -183400.6495 -148750.3573 300.3414 -80.5431 -47.0219 559143.3821 11.0117 11.1926 LDB: ============= START OF LOAD BALANCING ============== 1803.04 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1803.04 LDB: =============== DONE WITH MIGRATION ================ 1803.04 LDB: ============= START OF LOAD BALANCING ============== 1803.34 LDB: Largest compute 4796 load 0.030468 is 25.8% of average load 0.118053 LDB: Average compute 0.001735 is 1.5% of average load 0.118053 LDB: TIME 1803.34 LOAD: AVG 0.118053 MAX 0.206371 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.172 MB LDB: TIME 1803.34 LOAD: AVG 0.118053 MAX 0.206371 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.176 MB LDB: TIME 1803.34 LOAD: AVG 0.118053 MAX 0.206371 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.176 MB LDB: ============== END OF LOAD BALANCING =============== 1803.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1803.34 PRESSURE: 604400 -338.681 143.947 -33.6882 143.947 92.9446 -176.606 -33.688 -176.606 53.2774 GPRESSURE: 604400 -303.233 145.008 -74.347 14.2056 101.771 -269.506 -29.71 -152.77 109.596 PRESSAVG: 604400 4.35985 -34.2053 -35.6265 -34.2052 -35.1669 28.2735 -35.6264 28.2735 18.9953 GPRESSAVG: 604400 4.436 -35.2198 -38.7176 -33.4116 -35.0539 30.2077 -34.3811 28.1444 18.5599 TIMING: 604400 CPU: 1800.09, 0.00301658/step Wall: 1800.09, 0.00301658/step, 3.68325 hours remaining, 207.964844 MB of memory in use. ENERGY: 604400 776.7526 2086.7403 1950.6965 122.7034 -206119.2786 17845.4848 0.0000 0.0000 34339.2153 -148997.6856 299.8929 -183336.9009 -148896.1213 300.4939 -64.1530 -30.6221 560445.9334 -3.9373 -4.0194 PRESSURE: 604600 205.037 -253.342 -42.9668 -253.341 -284.06 -2.39553 -42.9669 -2.39389 105.016 GPRESSURE: 604600 181.13 -212.142 -69.2566 -262.916 -212.138 -37.8348 -8.12073 72.9345 151.184 PRESSAVG: 604600 31.5899 -4.48605 4.74024 -4.486 -22.0258 3.95694 4.74032 3.95698 9.4365 GPRESSAVG: 604600 30.4424 -6.30325 9.40024 -4.90311 -21.4537 2.02036 4.24224 5.2875 9.76392 TIMING: 604600 CPU: 1800.69, 0.00296559/step Wall: 1800.69, 0.00296559/step, 3.62083 hours remaining, 207.964844 MB of memory in use. ENERGY: 604600 773.9903 2121.4510 1942.9272 115.0134 -206201.4838 17996.6592 0.0000 0.0000 34215.2033 -149036.2394 298.8099 -183251.4427 -148942.5094 299.9235 8.6640 40.0586 559538.2554 6.3335 6.2509 PRESSURE: 604800 -142.317 -182.14 -116.148 -182.141 -144.652 -149.302 -116.146 -149.303 53.8105 GPRESSURE: 604800 -61.9701 -208.01 -50.2444 -187.826 -115.825 -152.239 -157.798 -88.3553 48.8242 PRESSAVG: 604800 -11.874 -6.03555 -8.5545 -6.03553 18.9425 -39.7904 -8.55454 -39.7904 5.65287 GPRESSAVG: 604800 -11.2795 -4.26474 -10.6265 -6.50145 18.961 -40.1483 -8.9557 -40.2063 5.45111 TIMING: 604800 CPU: 1801.28, 0.00295862/step Wall: 1801.28, 0.00295862/step, 3.61214 hours remaining, 207.964844 MB of memory in use. ENERGY: 604800 759.4865 2116.4367 1942.7735 121.6244 -206031.6361 17709.2917 0.0000 0.0000 34360.1112 -149021.9121 300.0754 -183382.0233 -148932.2099 300.0645 -77.7196 -42.9901 558599.8054 4.2405 4.3775 PRESSURE: 605000 -4.93679 -137.686 -25.0229 -137.687 1.69393 -166.959 -25.0226 -166.96 150.11 GPRESSURE: 605000 12.981 -130.479 39.9884 -152.765 45.6383 -136.292 31.777 -123.533 176.016 PRESSAVG: 605000 -6.0511 -2.59392 8.51313 -2.59396 -0.573095 -24.6324 8.51304 -24.6323 12.478 GPRESSAVG: 605000 -5.45616 -2.07335 7.99127 -1.09185 -1.42105 -26.0224 9.83332 -25.7161 12.6624 TIMING: 605000 CPU: 1801.87, 0.00294448/step Wall: 1801.87, 0.00294448/step, 3.59473 hours remaining, 207.964844 MB of memory in use. ENERGY: 605000 742.9238 2092.5318 1934.0859 115.9712 -206318.4885 17986.0387 0.0000 0.0000 34345.3219 -149101.6151 299.9462 -183446.9371 -149006.5905 299.7563 48.9557 78.2117 558322.3234 1.9513 1.9284 PRESSURE: 605200 -258.98 149.51 211.47 149.51 102.997 57.5609 211.47 57.5622 -25.3959 GPRESSURE: 605200 -213.176 227.991 225.694 177.491 95.6299 110.75 167.845 116.976 27.5537 PRESSAVG: 605200 -18.6217 102.184 21.3083 102.184 -0.952351 14.607 21.3083 14.6069 23.1159 GPRESSAVG: 605200 -20.296 103.295 21.9187 98.7377 0.0365916 17.4413 19.965 13.2953 23.7026 TIMING: 605200 CPU: 1802.46, 0.00295917/step Wall: 1802.46, 0.00295917/step, 3.61249 hours remaining, 207.964844 MB of memory in use. ENERGY: 605200 772.7957 2093.9615 1928.6583 106.9513 -206671.8935 18031.2850 0.0000 0.0000 34333.2499 -149404.9917 299.8408 -183738.2416 -149307.6528 299.6424 -60.4598 -29.9974 558978.8192 1.1806 1.1477 PRESSURE: 605400 58.991 -57.0493 -71.6592 -57.0487 -209.391 -171.204 -71.6601 -171.205 246.408 GPRESSURE: 605400 78.5169 -24.3417 -77.4681 -84.9176 -162.383 -115.508 -112.275 -182.5 271.849 PRESSAVG: 605400 -6.93448 66.4602 -14.0429 66.4602 13.2156 8.90893 -14.0428 8.90886 19.3718 GPRESSAVG: 605400 -6.46259 66.7831 -14.409 67.3221 12.9616 8.53756 -13.3536 8.99506 19.7959 TIMING: 605400 CPU: 1803.05, 0.00296236/step Wall: 1803.05, 0.00296236/step, 3.61622 hours remaining, 207.964844 MB of memory in use. ENERGY: 605400 798.1240 2093.5520 1912.9775 119.2412 -206671.0996 18110.7994 0.0000 0.0000 34191.7977 -149444.6078 298.6055 -183636.4055 -149351.2099 299.0619 32.0027 62.6608 557599.9701 8.5510 8.7649 PRESSURE: 605600 -4.12144 13.8335 -180.376 13.8338 21.6095 91.3856 -180.377 91.3876 -21.7254 GPRESSURE: 605600 20.3948 -32.284 -247.752 -87.165 11.702 -4.33961 -123.104 85.7138 67.745 PRESSAVG: 605600 -36.2022 6.1759 -21.4225 6.17585 10.9605 11.2778 -21.4225 11.2777 -13.0868 GPRESSAVG: 605600 -35.411 4.5279 -20.9329 6.66539 10.9979 8.80042 -22.1967 12.8913 -13.9215 TIMING: 605600 CPU: 1803.65, 0.00298264/step Wall: 1803.65, 0.00298264/step, 3.64081 hours remaining, 207.964844 MB of memory in use. ENERGY: 605600 731.8412 2111.4690 1928.3043 114.3496 -206438.3217 17873.6119 0.0000 0.0000 34236.1420 -149442.6038 298.9927 -183678.7457 -149349.1814 298.7077 -1.4125 33.2806 558136.6138 -12.7762 -12.7782 PRESSURE: 605800 37.8829 47.5349 -0.637241 47.5343 102.605 9.88515 -0.638448 9.88581 184.454 GPRESSURE: 605800 175.057 117.998 -16.4187 97.2373 37.8232 38.1271 -12.9087 -15.8026 213.002 PRESSAVG: 605800 2.33332 -11.8894 -5.07202 -11.8894 32.5099 4.27583 -5.07203 4.27563 -62.8017 GPRESSAVG: 605800 3.32747 -10.853 -3.72023 -11.0664 32.5134 4.28444 -5.97091 4.74083 -63.5629 TIMING: 605800 CPU: 1804.24, 0.0029474/step Wall: 1804.24, 0.0029474/step, 3.59763 hours remaining, 207.964844 MB of memory in use. ENERGY: 605800 789.1693 2132.5766 1907.3749 117.1134 -206733.9691 18118.5568 0.0000 0.0000 34335.9522 -149333.2259 299.8644 -183669.1781 -149240.2911 298.8039 108.3139 141.9604 556743.2023 -9.3195 -9.2407 PRESSURE: 606000 -4.53091 110.25 -89.5802 110.249 -29.1376 29.8543 -89.5791 29.8547 76.4878 GPRESSURE: 606000 -40.4882 121.906 -53.0184 104.382 24.6633 -22.8774 -162.444 14.2177 146.628 PRESSAVG: 606000 -27.6408 2.1525 -35.3453 2.15252 62.8403 7.0727 -35.3453 7.07272 -23.5914 GPRESSAVG: 606000 -29.4071 -0.0691918 -34.2688 2.66841 63.1633 8.07778 -36.3843 6.60694 -22.1532 TIMING: 606000 CPU: 1804.84, 0.00299158/step Wall: 1804.84, 0.00299158/step, 3.65139 hours remaining, 207.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 606000 729.6980 2056.7298 1909.5461 109.6854 -206447.8837 17979.2273 0.0000 0.0000 34321.8637 -149341.1334 299.7414 -183662.9970 -149242.9328 299.1781 14.2731 43.6012 556931.5163 3.8694 3.8677 PRESSURE: 606200 -31.4862 86.139 -41.9839 86.14 31.2997 -0.928143 -41.9855 -0.929131 -250.859 GPRESSURE: 606200 17.8866 55.4367 89.636 54.5293 40.2678 109.63 -110.584 -13.0577 -219.267 PRESSAVG: 606200 4.12244 21.2828 -8.14916 21.2828 13.7552 38.7983 -8.14923 38.7981 -17.2386 GPRESSAVG: 606200 6.28679 24.3547 -10.0235 18.8835 12.1113 40.5105 -6.28687 38.472 -17.4131 TIMING: 606200 CPU: 1805.43, 0.00297266/step Wall: 1805.43, 0.00297266/step, 3.62813 hours remaining, 207.964844 MB of memory in use. ENERGY: 606200 756.1791 2115.1401 1930.9625 105.3894 -205915.4361 17622.5971 0.0000 0.0000 34184.0120 -149201.1559 298.5375 -183385.1679 -149116.0726 299.7879 -83.6818 -53.7042 557804.7475 0.2130 0.3283 PRESSURE: 606400 198.837 -175.602 -107.706 -175.603 65.0411 65.1421 -107.705 65.1433 257.294 GPRESSURE: 606400 165.593 -209.089 -168.775 -145.342 106.631 84.7832 -104.772 80.4764 331.235 PRESSAVG: 606400 10.3306 25.8615 -28.1516 25.8613 34.699 -42.2799 -28.1515 -42.2799 -39.0526 GPRESSAVG: 606400 8.07195 24.46 -29.8877 27.991 35.8923 -43.1621 -27.1654 -41.3593 -38.1336 TIMING: 606400 CPU: 1806.03, 0.00298148/step Wall: 1806.03, 0.00298148/step, 3.63873 hours remaining, 207.964844 MB of memory in use. ENERGY: 606400 762.5070 2114.0890 1927.6170 110.4859 -206254.8422 18094.6208 0.0000 0.0000 34293.8956 -148951.6269 299.4971 -183245.5226 -148860.0016 300.1065 173.7237 201.1530 557375.3965 1.9923 1.9436 PRESSURE: 606600 156.84 -41.4576 67.6922 -41.4584 97.4027 102.645 67.6914 102.644 80.9249 GPRESSURE: 606600 189.91 -40.9899 84.3307 -65.5066 72.8147 59.5487 85.9418 141.066 171.675 PRESSAVG: 606600 -21.0516 -34.3596 14.7363 -34.3595 -8.99413 -36.0329 14.7363 -36.0329 23.7303 GPRESSAVG: 606600 -20.3221 -36.0864 17.1913 -35.3774 -8.6442 -37.5623 12.94 -37.0181 22.796 TIMING: 606600 CPU: 1806.62, 0.00298412/step Wall: 1806.62, 0.00298412/step, 3.64178 hours remaining, 207.964844 MB of memory in use. ENERGY: 606600 741.0880 2129.7215 1939.6706 113.3753 -206474.9382 17997.7570 0.0000 0.0000 34429.0226 -149124.3032 300.6772 -183553.3258 -149038.3995 299.6160 111.7227 144.7999 557953.2456 -2.1051 -2.0568 PRESSURE: 606800 76.0511 -66.1815 0.917428 -66.1807 -102.757 -64.443 0.917655 -64.4427 99.7107 GPRESSURE: 606800 99.5937 -38.9022 -20.034 -110.307 -33.3757 -75.9185 33.1296 -47.8467 108.49 PRESSAVG: 606800 -87.2617 8.4591 15.7789 8.45912 11.9921 12.9231 15.7788 12.9231 71.652 GPRESSAVG: 606800 -87.7211 10.2495 15.5533 9.62474 12.4275 14.6897 15.1975 12.2924 71.6073 TIMING: 606800 CPU: 1807.22, 0.00299075/step Wall: 1807.22, 0.00299075/step, 3.64971 hours remaining, 207.964844 MB of memory in use. ENERGY: 606800 771.6893 2081.4419 1913.3243 104.6140 -205996.4933 17761.3713 0.0000 0.0000 34200.1386 -149163.9139 298.6783 -183364.0525 -149068.7385 299.3874 24.3348 58.2360 558619.0669 -1.2058 -1.2288 PRESSURE: 607000 271.005 3.83686 134.239 3.83709 182.706 4.48174 134.238 4.48234 12.0324 GPRESSURE: 607000 327.733 45.8715 123.42 -65.6068 174.171 -33.82 109.996 35.4126 56.9924 PRESSAVG: 607000 58.0809 -17.0433 -49.2837 -17.0434 -29.564 6.64458 -49.2838 6.64471 -53.2759 GPRESSAVG: 607000 58.2596 -16.9707 -50.8613 -17.9928 -29.8059 8.97396 -49.5004 6.49033 -53.3891 TIMING: 607000 CPU: 1807.82, 0.00300769/step Wall: 1807.82, 0.00300769/step, 3.67021 hours remaining, 207.964844 MB of memory in use. ENERGY: 607000 785.0210 2126.5090 1940.5942 104.0924 -206519.0500 18123.7023 0.0000 0.0000 34321.5760 -149117.5551 299.7389 -183439.1312 -149027.2875 299.0685 155.2478 186.2990 557245.2353 -8.2530 -8.3118 PRESSURE: 607200 118.806 -103.6 107.995 -103.601 -126.721 -96.1162 107.995 -96.1155 -39.7465 GPRESSURE: 607200 107.733 -70.2854 159.425 -136.825 -76.8454 -125.693 130.302 -25.6114 19.0608 PRESSAVG: 607200 22.4622 -10.553 73.0326 -10.5531 7.9625 50.7302 73.0325 50.7302 -3.60947 GPRESSAVG: 607200 22.8615 -10.2625 76.9449 -11.8458 7.1753 48.1448 74.8099 52.5253 -2.85702 TIMING: 607200 CPU: 1808.42, 0.00297682/step Wall: 1808.42, 0.00297682/step, 3.63239 hours remaining, 207.964844 MB of memory in use. ENERGY: 607200 765.9076 2086.8959 1925.4306 129.8129 -206086.0639 17807.6636 0.0000 0.0000 34210.3757 -149159.9777 298.7677 -183370.3534 -149065.4370 299.4900 -15.8873 16.6494 557209.4121 8.9384 9.0599 PRESSURE: 607400 49.7481 -8.00387 -77.5642 -8.00462 -54.0188 43.2795 -77.5639 43.2794 -19.883 GPRESSURE: 607400 98.2268 36.1107 -76.0963 -29.6412 -24.9023 105.767 -34.8215 -71.1577 22.1358 PRESSAVG: 607400 62.7151 12.1119 15.8535 12.1118 8.73712 30.7372 15.8535 30.7371 -22.623 GPRESSAVG: 607400 63.1849 12.5575 11.1656 12.0184 9.4922 30.3463 16.6823 30.6173 -23.9292 TIMING: 607400 CPU: 1809.02, 0.00298392/step Wall: 1809.02, 0.00298392/step, 3.64088 hours remaining, 207.964844 MB of memory in use. ENERGY: 607400 738.7728 2077.2460 1932.0837 107.1493 -205861.0984 17731.6049 0.0000 0.0000 34125.7275 -149148.5143 298.0285 -183274.2418 -149046.4359 298.7517 -8.0512 31.8201 557119.6058 16.2764 16.2493 PRESSURE: 607600 151.474 2.15105 -112.793 2.15012 -60.1507 -14.572 -112.794 -14.5715 27.5791 GPRESSURE: 607600 132.086 26.3514 -123.431 -0.674662 -53.9342 -29.5518 -99.0422 -6.56002 150.445 PRESSAVG: 607600 42.7766 -25.9178 -27.4428 -25.9178 -74.7851 15.8532 -27.4429 15.8533 44.9648 GPRESSAVG: 607600 42.3951 -26.7446 -28.6383 -25.2465 -75.3007 16.4538 -27.9529 14.4438 45.8892 TIMING: 607600 CPU: 1809.61, 0.00297112/step Wall: 1809.61, 0.00297112/step, 3.6251 hours remaining, 207.964844 MB of memory in use. ENERGY: 607600 746.3682 2145.5749 1922.8198 112.9185 -206237.2135 17886.3879 0.0000 0.0000 34235.9964 -149187.1478 298.9915 -183423.1442 -149089.9387 299.1003 39.6342 76.1990 558473.5545 4.3188 4.3279 PRESSURE: 607800 -389.437 -0.811046 49.9077 -0.811877 -108.174 -19.6416 49.9069 -19.6424 60.0401 GPRESSURE: 607800 -377.344 -25.1269 -62.2191 99.9067 -88.3637 3.81114 57.9504 -73.9302 126.524 PRESSAVG: 607800 3.68319 -84.937 8.26439 -84.937 22.5314 5.38671 8.26438 5.38661 -36.0671 GPRESSAVG: 607800 3.59495 -85.5052 11.5793 -83.0543 22.1011 4.31135 8.37279 7.30484 -35.5883 TIMING: 607800 CPU: 1810.2, 0.00296672/step Wall: 1810.2, 0.00296672/step, 3.61957 hours remaining, 207.964844 MB of memory in use. ENERGY: 607800 751.4956 2110.8146 1927.5271 98.4009 -206100.1115 17767.9451 0.0000 0.0000 34117.9929 -149325.9353 297.9609 -183443.9282 -149228.1483 299.4746 -145.8570 -113.0612 558119.9016 -3.2842 -3.2974 PRESSURE: 608000 -12.3859 -279.93 -31.9225 -279.93 -51.8668 -141.983 -31.9222 -141.982 102.303 GPRESSURE: 608000 25.5417 -248.001 -122.763 -250.175 41.9763 -239.075 -5.09809 -57.9187 83.4296 PRESSAVG: 608000 -17.818 -2.3752 27.9243 -2.37524 42.119 32.1224 27.9243 32.1223 -4.63195 GPRESSAVG: 608000 -18.2201 -0.154859 25.4836 -4.54951 42.9885 32.5333 28.1027 31.0887 -5.53224 TIMING: 608000 CPU: 1810.79, 0.0029557/step Wall: 1810.79, 0.0029557/step, 3.60596 hours remaining, 207.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 608000 733.6834 2129.3211 1923.2790 108.3424 -206269.1318 17769.3271 0.0000 0.0000 34086.2235 -149518.9553 297.6835 -183605.1788 -149418.4451 298.5114 12.6835 50.3159 556438.2600 6.5564 6.4120 PRESSURE: 608200 181.394 56.3361 -54.4291 56.3369 -63.3437 44.1105 -54.4291 44.1113 -331.577 GPRESSURE: 608200 234.721 56.0827 11.5603 70.5435 -95.6695 8.71568 -85.6832 -44.7502 -257.479 PRESSAVG: 608200 53.231 79.9088 -17.0595 79.9088 -43.9072 -10.2799 -17.0595 -10.2799 4.42733 GPRESSAVG: 608200 53.9375 79.2229 -16.3582 82.103 -44.3152 -11.7092 -18.7186 -9.07109 4.38377 TIMING: 608200 CPU: 1811.39, 0.00295174/step Wall: 1811.39, 0.00295174/step, 3.60096 hours remaining, 207.964844 MB of memory in use. ENERGY: 608200 740.0073 2065.9939 1957.8237 100.6873 -206223.0647 17780.6186 0.0000 0.0000 34195.4431 -149382.4907 298.6373 -183577.9338 -149283.8119 299.1034 -71.1756 -39.4758 556925.2821 4.5837 4.6687 LDB: ============= START OF LOAD BALANCING ============== 1814.93 LDB: ============== END OF LOAD BALANCING =============== 1814.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1814.93 LDB: ============= START OF LOAD BALANCING ============== 1815.23 LDB: Largest compute 4796 load 0.029941 is 25.4% of average load 0.118098 LDB: Average compute 0.001737 is 1.5% of average load 0.118098 LDB: TIME 1815.23 LOAD: AVG 0.118098 MAX 0.205814 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.973 MB LDB: TIME 1815.23 LOAD: AVG 0.118098 MAX 0.205814 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.977 MB LDB: TIME 1815.23 LOAD: AVG 0.118098 MAX 0.205814 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.977 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1815.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1815.24 PRESSURE: 608400 240.528 -61.4455 81.3899 -61.4451 299.388 236.556 81.3907 236.556 -39.3508 GPRESSURE: 608400 258.28 -75.9172 82.5423 18.2533 321.936 179.1 101.971 192.435 15.2001 PRESSAVG: 608400 37.1263 -24.1037 35.3399 -24.1037 -45.7091 50.9456 35.3399 50.9456 -23.2106 GPRESSAVG: 608400 35.8086 -25.8754 35.8974 -25.3612 -45.2386 51.6217 36.8113 50.1464 -22.4051 TIMING: 608400 CPU: 1811.99, 0.00302073/step Wall: 1811.99, 0.00302073/step, 3.68496 hours remaining, 206.996094 MB of memory in use. ENERGY: 608400 720.2031 2100.7065 1945.2204 110.4878 -206438.4021 17912.2628 0.0000 0.0000 34389.1079 -149260.4137 300.3286 -183649.5216 -149162.3293 299.1763 166.8549 198.4720 555027.0696 -10.5978 -10.6117 PRESSURE: 608600 32.7211 105.523 8.29487 105.523 -224.077 -127.97 8.29629 -127.97 90.8565 GPRESSURE: 608600 45.0135 75.9428 -94.5907 134.474 -171.147 -79.6522 25.1653 -101.24 138.61 PRESSAVG: 608600 -70.2375 60.5016 39.5461 60.5017 35.5183 -11.6439 39.5462 -11.6439 25.5742 GPRESSAVG: 608600 -69.6312 61.1131 40.3375 61.6339 34.8822 -11.3489 39.4228 -11.1341 25.449 TIMING: 608600 CPU: 1812.58, 0.00296753/step Wall: 1812.58, 0.00296753/step, 3.61989 hours remaining, 206.996094 MB of memory in use. ENERGY: 608600 744.5221 2098.8091 1966.6330 114.0039 -206098.4128 17664.4026 0.0000 0.0000 34321.0249 -149189.0172 299.7340 -183510.0421 -149093.5927 299.5221 -33.5000 4.1587 557056.7660 -3.0483 -3.1000 PRESSURE: 608800 37.1687 57.8415 61.4552 57.8423 -24.7573 34.6096 61.4553 34.6114 -272.549 GPRESSURE: 608800 -5.81284 142.506 116.432 76.3219 132.116 22.0614 18.1972 -11.2691 -288.855 PRESSAVG: 608800 -42.6958 49.3459 36.7492 49.346 36.8073 -14.0174 36.7491 -14.0174 -24.3346 GPRESSAVG: 608800 -44.0955 48.117 35.7251 46.9307 39.8187 -14.6286 36.9459 -14.4611 -25.4429 TIMING: 608800 CPU: 1813.18, 0.00297354/step Wall: 1813.18, 0.00297354/step, 3.62706 hours remaining, 206.996094 MB of memory in use. ENERGY: 608800 700.6740 2084.4921 1933.1833 115.6251 -206166.6627 17767.1708 0.0000 0.0000 34455.7020 -149109.8154 300.9102 -183565.5173 -149012.8709 299.1946 -86.7127 -54.1839 559020.6585 -10.0744 -9.9066 PRESSURE: 609000 147.842 -112.684 -162.508 -112.683 -265.744 -82.8958 -162.508 -82.8966 -180.612 GPRESSURE: 609000 161.899 -138.126 -181.417 -88.6055 -199.653 -15.0416 -166.742 -133.44 -156.935 PRESSAVG: 609000 24.0593 3.88899 35.615 3.88902 26.7987 2.80843 35.6151 2.80848 -47.5345 GPRESSAVG: 609000 25.6602 6.2896 35.2652 6.51375 24.8489 1.85561 37.1544 3.08345 -46.3617 TIMING: 609000 CPU: 1813.77, 0.00298259/step Wall: 1813.77, 0.00298259/step, 3.63793 hours remaining, 206.996094 MB of memory in use. ENERGY: 609000 719.0747 2054.4454 1930.6918 125.7595 -206058.9109 17539.4830 0.0000 0.0000 34462.4107 -149227.0457 300.9688 -183689.4564 -149123.8665 298.9349 -99.5048 -64.8964 557079.4815 1.1078 1.3825 PRESSURE: 609200 32.295 -28.8877 12.7172 -28.8897 193.549 -142.02 12.7161 -142.02 154.119 GPRESSURE: 609200 89.8865 86.8116 -58.6116 -22.8247 227.08 -90.2135 14.4452 -218.438 160.038 PRESSAVG: 609200 3.06226 -30.7789 23.1038 -30.7789 41.9915 -20.0229 23.1037 -20.0228 -31.6312 GPRESSAVG: 609200 3.20691 -31.7324 25.1531 -31.451 42.721 -19.1981 20.9977 -20.649 -32.0543 TIMING: 609200 CPU: 1814.37, 0.00296554/step Wall: 1814.37, 0.00296554/step, 3.61697 hours remaining, 206.996094 MB of memory in use. ENERGY: 609200 717.4096 2075.5496 1932.6721 100.1926 -206175.4393 17863.0690 0.0000 0.0000 34336.0469 -149150.4994 299.8652 -183486.5463 -149053.4808 298.7469 126.6544 159.0016 556717.5851 4.4742 4.6245 PRESSURE: 609400 -9.70875 35.1641 99.5917 35.1637 -260.606 -0.248965 99.5912 -0.249306 -5.57661 GPRESSURE: 609400 9.81502 45.0476 127.268 55.6723 -186 69.7951 54.9943 17.9641 -8.51138 PRESSAVG: 609400 -11.1406 -4.22878 16.7211 -4.22891 45.9801 -42.7346 16.7211 -42.7347 -24.5756 GPRESSAVG: 609400 -11.486 -2.7015 16.0312 -4.27489 46.3684 -40.7935 18.0914 -43.2042 -24.8906 TIMING: 609400 CPU: 1814.96, 0.002963/step Wall: 1814.96, 0.002963/step, 3.61371 hours remaining, 206.996094 MB of memory in use. ENERGY: 609400 740.8201 2079.2540 1925.1594 112.1156 -205666.9355 17514.8102 0.0000 0.0000 34361.5934 -148933.1829 300.0883 -183294.7763 -148839.3530 299.4691 -91.9638 -61.5653 558079.8372 3.4213 3.3306 PRESSURE: 609600 110.177 143.854 -184.454 143.855 448.985 150.734 -184.454 150.733 278.986 GPRESSURE: 609600 117.543 69.3191 -232.573 112.33 430.25 148.352 -135.012 96.2246 376.477 PRESSAVG: 609600 -24.7514 -22.4302 57.9665 -22.4301 -29.135 43.5406 57.9665 43.5406 7.02871 GPRESSAVG: 609600 -25.1106 -21.9019 56.7687 -24.2931 -29.6896 43.6401 57.8021 42.2548 7.71812 TIMING: 609600 CPU: 1815.55, 0.00295307/step Wall: 1815.55, 0.00295307/step, 3.60143 hours remaining, 206.996094 MB of memory in use. ENERGY: 609600 746.3276 2042.4217 1938.2601 115.9535 -206214.5179 17963.1535 0.0000 0.0000 34204.9266 -149203.4749 298.7201 -183408.4015 -149113.9682 300.1680 279.3825 308.0901 556410.0030 -15.6192 -15.6940 PRESSURE: 609800 -35.9009 59.7063 143.036 59.7074 170.26 26.8106 143.037 26.812 188.436 GPRESSURE: 609800 28.3355 73.1166 178.915 94.9227 208.874 -51.6104 70.6184 2.09131 189.337 PRESSAVG: 609800 -16.69 22.5922 11.4888 22.5923 7.56514 48.4044 11.4889 48.4045 4.33007 GPRESSAVG: 609800 -16.7943 23.0587 12.8256 23.8617 7.76254 45.9208 8.84909 49.4449 4.51637 TIMING: 609800 CPU: 1816.14, 0.00294686/step Wall: 1816.14, 0.00294686/step, 3.5937 hours remaining, 206.996094 MB of memory in use. ENERGY: 609800 741.8123 2085.0222 1941.9372 105.3748 -205946.8235 17675.4335 0.0000 0.0000 34293.0721 -149104.1714 299.4899 -183397.2435 -149006.6194 299.5147 107.5983 142.1824 557158.3148 -1.5983 -1.5051 PRESSURE: 610000 -17.6041 65.2354 -42.0784 65.235 -167.291 -27.0071 -42.0784 -27.0059 -35.9361 GPRESSURE: 610000 -3.75604 76.2823 -97.6415 52.962 -116.187 -24.54 4.819 -8.60085 -1.51996 PRESSAVG: 610000 36.0552 10.2462 23.8883 10.2462 40.5318 -23.3216 23.8882 -23.3216 -39.3339 GPRESSAVG: 610000 36.2766 8.07939 23.1231 9.93269 41.7506 -21.353 25.8565 -22.5055 -40.8622 TIMING: 610000 CPU: 1816.74, 0.0029779/step Wall: 1816.74, 0.0029779/step, 3.63139 hours remaining, 206.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 610000 719.1915 2057.0052 1941.4897 113.5116 -205698.6687 17554.5748 0.0000 0.0000 34281.2798 -149031.6162 299.3869 -183312.8959 -148935.0566 300.1286 -73.6103 -40.4878 559160.3347 12.4177 12.3883 PRESSURE: 610200 -327.402 -82.9681 -104.014 -82.9703 -185.347 46.0798 -104.014 46.079 -103.27 GPRESSURE: 610200 -315.883 -33.4286 -100.153 -41.8207 -163.776 80.9983 -162.369 -16.7342 -32.7838 PRESSAVG: 610200 -12.3861 19.9081 -24.2122 19.9081 43.8917 21.7437 -24.2122 21.7438 -31.9493 GPRESSAVG: 610200 -11.9684 23.122 -23.0621 19.5316 42.0908 20.7549 -26.1274 21.4784 -30.4827 TIMING: 610200 CPU: 1817.32, 0.00294569/step Wall: 1817.32, 0.00294569/step, 3.59194 hours remaining, 206.996094 MB of memory in use. ENERGY: 610200 738.0288 2011.7921 1922.3877 109.0843 -206126.2671 17717.4995 0.0000 0.0000 34318.1368 -149309.3379 299.7088 -183627.4747 -149214.9563 299.1390 -205.3398 -170.8144 559108.2590 -0.1479 -0.1201 PRESSURE: 610400 -43.3117 19.2069 153.529 19.2062 -77.3769 53.7696 153.528 53.7691 -218.807 GPRESSURE: 610400 24.5092 8.24104 164.762 56.6933 -54.8922 79.6381 99.6704 113.641 -215.849 PRESSAVG: 610400 -6.66969 20.5249 -8.70032 20.5248 25.3404 -24.2688 -8.70036 -24.2687 17.425 GPRESSAVG: 610400 -7.67164 16.6576 -11.9187 23.5371 24.9487 -24.4171 -5.45497 -23.8361 18.1964 TIMING: 610400 CPU: 1817.92, 0.00296848/step Wall: 1817.92, 0.00296848/step, 3.61956 hours remaining, 206.996094 MB of memory in use. ENERGY: 610400 784.2981 2028.8335 1926.8515 116.1552 -205956.5326 17736.1048 0.0000 0.0000 33994.6416 -149369.6479 296.8837 -183364.2896 -149277.3072 298.8907 -113.1651 -82.0775 557857.2567 12.0319 11.8245 PRESSURE: 610600 12.141 -192.606 -67.7962 -192.606 -312.825 5.91965 -67.7956 5.91997 -13.2283 GPRESSURE: 610600 63.9906 -145.045 -183.82 -127.089 -329.423 17.989 -63.8092 37.8404 30.5116 PRESSAVG: 610600 -25.147 19.1887 26.7795 19.1887 -2.80366 8.40201 26.7795 8.40193 7.10343 GPRESSAVG: 610600 -25.2411 19.8457 27.7373 16.5018 -2.67257 7.81024 26.4627 10.1148 6.99568 TIMING: 610600 CPU: 1818.5, 0.0029274/step Wall: 1818.5, 0.0029274/step, 3.56931 hours remaining, 206.996094 MB of memory in use. ENERGY: 610600 753.8631 2061.5646 1903.8545 112.8570 -206009.1102 17735.2901 0.0000 0.0000 34159.2662 -149282.4146 298.3214 -183441.6808 -149189.3879 299.1231 -104.6374 -78.3069 558004.8545 -6.9491 -6.9727 PRESSURE: 610800 173.46 -21.365 -15.8715 -21.3642 20.1312 36.8493 -15.8697 36.8498 -92.3981 GPRESSURE: 610800 165.853 -66.1296 21.9615 -64.1358 50.6462 101.727 -64.9183 -16.9703 -15.3416 PRESSAVG: 610800 46.3719 -44.2586 16.1475 -44.2586 -46.92 -16.6743 16.1476 -16.6744 3.74951 GPRESSAVG: 610800 46.6403 -44.3559 16.7955 -44.3108 -46.1846 -16.7486 15.0502 -19.5204 2.96773 TIMING: 610800 CPU: 1819.09, 0.00294902/step Wall: 1819.09, 0.00294902/step, 3.59551 hours remaining, 206.996094 MB of memory in use. ENERGY: 610800 718.9341 2051.4901 1918.4322 112.7735 -206247.3140 17705.5828 0.0000 0.0000 34434.3983 -149305.7031 300.7242 -183740.1014 -149204.4963 298.3433 33.7311 67.0525 557155.0403 1.0671 1.1411 PRESSURE: 611000 -320.489 90.9418 57.5228 90.9408 -39.5636 -125.384 57.5229 -125.382 -479.832 GPRESSURE: 611000 -332.879 27.2292 53.8913 92.7004 46.271 -195.822 120.758 -36.046 -456.515 PRESSAVG: 611000 -8.89349 12.5148 15.0369 12.5148 78.2416 47.0205 15.0368 47.0204 -85.5267 GPRESSAVG: 611000 -9.20242 13.2681 17.5701 11.9875 78.8848 47.71 14.4006 47.2099 -86.0203 TIMING: 611000 CPU: 1819.69, 0.00296646/step Wall: 1819.69, 0.00296646/step, 3.61661 hours remaining, 206.996094 MB of memory in use. ENERGY: 611000 797.2354 2085.5071 1920.2982 117.5050 -205956.2668 17479.6755 0.0000 0.0000 34341.8706 -149214.1750 299.9161 -183556.0456 -149118.0327 299.0452 -279.9614 -247.7075 558428.5029 -5.3929 -5.4460 PRESSURE: 611200 45.3829 -66.7667 -36.0446 -66.7659 149.676 -71.1112 -36.044 -71.1102 -160.437 GPRESSURE: 611200 23.9886 -54.836 39.4642 0.0740468 171.597 -88.8276 -75.4129 -11.5375 -62.2516 PRESSAVG: 611200 -73.0872 -0.729131 8.06557 -0.729085 61.9108 -20.3122 8.06557 -20.3122 27.8915 GPRESSAVG: 611200 -72.6467 1.90137 9.32181 0.223551 59.2093 -19.8604 6.73424 -17.0045 29.9401 TIMING: 611200 CPU: 1820.28, 0.00294735/step Wall: 1820.28, 0.00294735/step, 3.59314 hours remaining, 206.996094 MB of memory in use. ENERGY: 611200 730.4459 2097.1316 1942.4420 107.2327 -206260.0284 17852.5868 0.0000 0.0000 34324.7821 -149205.4074 299.7669 -183530.1895 -149110.1463 299.3371 11.5409 44.4445 558292.8083 5.5717 5.5009 PRESSURE: 611400 -60.3464 97.168 -81.4728 97.1684 -116.274 -20.438 -81.4728 -20.4375 165.453 GPRESSURE: 611400 -23.9122 79.901 -131.238 74.3026 -86.1296 -22.9102 -117.225 -15.5967 200.66 PRESSAVG: 611400 5.955 30.5363 -5.18812 30.5364 -7.90706 18.4393 -5.18803 18.4392 10.7278 GPRESSAVG: 611400 5.29113 27.3235 -7.32402 29.8838 -5.95323 17.3978 -4.49515 15.7507 9.04619 TIMING: 611400 CPU: 1820.87, 0.00296444/step Wall: 1820.87, 0.00296444/step, 3.61381 hours remaining, 206.996094 MB of memory in use. ENERGY: 611400 750.2427 2040.3045 1939.3729 119.5240 -206248.2253 17878.7085 0.0000 0.0000 34259.5249 -149260.5478 299.1970 -183520.0727 -149162.0896 299.3739 -3.7224 30.2061 558376.5400 2.9252 2.7947 PRESSURE: 611600 270.068 -128.226 -70.3302 -128.226 -43.62 -90.8566 -70.3307 -90.8577 -17.2383 GPRESSURE: 611600 294.737 -106.28 -145.045 -185.991 -22.5317 -178.842 -49.9798 -65.744 32.7489 PRESSAVG: 611600 -48.9469 -8.88856 34.5313 -8.88859 40.1436 -23.2561 34.5313 -23.2561 20.5361 GPRESSAVG: 611600 -50.108 -9.69139 34.8316 -8.06679 41.0782 -24.6242 34.6482 -22.3907 20.7381 TIMING: 611600 CPU: 1821.46, 0.00297692/step Wall: 1821.46, 0.00297692/step, 3.62886 hours remaining, 206.996094 MB of memory in use. ENERGY: 611600 716.2299 2046.0664 1921.9080 116.3387 -206224.3688 17867.2887 0.0000 0.0000 34252.1682 -149304.3690 299.1327 -183556.5372 -149209.8904 299.2457 69.7367 101.6513 556731.7489 3.9109 3.9028 PRESSURE: 611800 -163.662 -129.894 152.668 -129.894 -202.779 -61.306 152.667 -61.304 -245.853 GPRESSURE: 611800 -198.23 -99.5377 16.1942 -161.447 -110.998 -57.2139 134.368 18.9155 -197.105 PRESSAVG: 611800 29.7607 -13.5436 31.5411 -13.5436 -8.5735 3.90753 31.5411 3.90756 -32.714 GPRESSAVG: 611800 29.3734 -12.506 29.917 -12.9905 -8.5376 6.18075 33.4828 2.93556 -32.2331 TIMING: 611800 CPU: 1822.05, 0.00294549/step Wall: 1822.05, 0.00294549/step, 3.59039 hours remaining, 206.996094 MB of memory in use. ENERGY: 611800 766.0981 2080.0565 1943.2700 119.1569 -206067.9746 17577.0345 0.0000 0.0000 34344.6288 -149237.7298 299.9402 -183582.3586 -149142.8379 299.5724 -204.0982 -168.7780 556914.9102 -3.8423 -3.7991 PRESSURE: 612000 251.487 -71.7365 -46.1198 -71.7378 149.787 -114.774 -46.1189 -114.774 -75.7705 GPRESSURE: 612000 296.986 -67.6724 2.92476 -117.033 174.365 -133.844 -72.4951 -51.6581 -62.2388 PRESSAVG: 612000 -1.64479 -28.8351 8.19473 -28.835 14.5383 0.543517 8.19473 0.543563 31.6264 GPRESSAVG: 612000 -0.242872 -28.5998 10.8172 -30.2116 12.9779 -0.0219596 7.36334 3.02681 31.4557 TIMING: 612000 CPU: 1822.65, 0.00297648/step Wall: 1822.65, 0.00297648/step, 3.628 hours remaining, 206.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 612000 739.5165 2116.2528 1939.0981 125.6914 -206369.3119 17953.1944 0.0000 0.0000 34378.8033 -149116.7554 300.2386 -183495.5587 -149024.2942 299.7025 108.5011 136.3707 556660.5138 14.8400 14.7303 PRESSURE: 612200 315.749 114.753 -48.9873 114.754 68.9251 21.3925 -48.9884 21.3923 375.423 GPRESSURE: 612200 341.104 86.2813 34.9398 141.688 81.7045 1.14484 -3.21117 31.9902 444.249 PRESSAVG: 612200 4.45192 27.0743 -30.057 27.0744 0.0937764 8.17552 -30.0569 8.17563 -0.00210149 GPRESSAVG: 612200 5.05199 26.1215 -32.3764 29.81 0.2104 8.49231 -28.4544 6.09109 -0.905907 TIMING: 612200 CPU: 1823.25, 0.00298951/step Wall: 1823.25, 0.00298951/step, 3.64372 hours remaining, 206.996094 MB of memory in use. ENERGY: 612200 742.9706 2123.3183 1948.1281 117.4799 -206489.8308 18307.0506 0.0000 0.0000 34202.4231 -149048.4602 298.6983 -183250.8834 -148958.5498 299.6923 253.3658 289.0190 558150.6818 1.5145 1.4522 LDB: ============= START OF LOAD BALANCING ============== 1826.79 LDB: ============== END OF LOAD BALANCING =============== 1826.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1826.79 LDB: ============= START OF LOAD BALANCING ============== 1827.09 LDB: Largest compute 4796 load 0.030130 is 25.5% of average load 0.118101 LDB: Average compute 0.001738 is 1.5% of average load 0.118101 LDB: TIME 1827.09 LOAD: AVG 0.118101 MAX 0.204669 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.766 MB LDB: TIME 1827.09 LOAD: AVG 0.118101 MAX 0.204669 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.766 MB LDB: TIME 1827.09 LOAD: AVG 0.118101 MAX 0.204669 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.766 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1827.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1827.1 PRESSURE: 612400 -75.6592 105.602 20.3729 105.601 10.9589 -39.6612 20.3721 -39.6626 547.269 GPRESSURE: 612400 -14.8564 99.3362 -7.43251 101.765 9.52722 -161.499 -43.6286 -52.5908 588.236 PRESSAVG: 612400 -44.1695 13.8786 23.6758 13.8786 32.7477 25.4025 23.676 25.4025 -21.6849 GPRESSAVG: 612400 -44.6313 15.8128 23.3287 12.6416 33.1629 25.296 22.6284 27.0957 -21.7898 TIMING: 612400 CPU: 1823.85, 0.00301659/step Wall: 1823.85, 0.00301659/step, 3.67655 hours remaining, 206.285156 MB of memory in use. ENERGY: 612400 768.4787 2123.3059 1930.6783 109.1423 -206420.9033 18013.8266 0.0000 0.0000 34429.1002 -149046.3712 300.6779 -183475.4714 -148951.9335 299.6010 160.8561 194.3022 557477.3749 -11.0356 -11.0861 PRESSURE: 612600 -23.0598 -62.1291 142.514 -62.1282 -59.9428 -195.327 142.513 -195.325 -145.152 GPRESSURE: 612600 35.7614 -106.659 94.5475 -101.497 -96.5658 -136.108 174.766 -238.083 -68.7218 PRESSAVG: 612600 10.629 8.79687 25.2301 8.79683 13.8367 66.8127 25.23 66.8127 4.36497 GPRESSAVG: 612600 10.3723 5.81834 25.6691 9.07473 13.4772 68.283 26.4003 65.9162 4.53738 TIMING: 612600 CPU: 1824.44, 0.0029714/step Wall: 1824.44, 0.0029714/step, 3.62131 hours remaining, 206.285156 MB of memory in use. ENERGY: 612600 724.6676 2074.7017 1927.5492 129.9330 -206017.7193 17581.9906 0.0000 0.0000 34549.6507 -149029.2264 301.7307 -183578.8771 -148928.8510 300.4351 -76.0514 -43.1754 557196.2473 9.6102 9.4623 PRESSURE: 612800 -120.815 35.8613 -113.184 35.861 -77.2788 71.4847 -113.184 71.4846 -84.2782 GPRESSURE: 612800 -58.4624 140.747 7.0964 -71.6722 -3.26362 -100.034 -168.193 121.143 -123.61 PRESSAVG: 612800 -32.4354 14.7651 -12.9413 14.7651 31.4362 -44.4346 -12.9414 -44.4345 -15.3828 GPRESSAVG: 612800 -31.7257 16.415 -11.8957 13.7501 32.2711 -47.7964 -14.1843 -42.8578 -16.689 TIMING: 612800 CPU: 1825.04, 0.00296178/step Wall: 1825.04, 0.00296178/step, 3.60942 hours remaining, 206.285156 MB of memory in use. ENERGY: 612800 743.3014 2061.8023 1953.8545 98.8180 -205807.8184 17644.0467 0.0000 0.0000 34430.8321 -148875.1634 300.6930 -183305.9956 -148776.5427 300.4608 -94.1239 -61.7785 558161.4757 -5.4607 -5.3812 PRESSURE: 613000 440.967 71.3006 54.7435 71.2989 170.779 19.2681 54.7438 19.2674 145.696 GPRESSURE: 613000 404.434 -0.228249 33.6059 161.401 254.365 -5.11794 74.1178 -29.3583 201.684 PRESSAVG: 613000 -51.2235 -20.3916 -27.9564 -20.3916 33.9629 48.1637 -27.9563 48.1637 -15.5459 GPRESSAVG: 613000 -52.3924 -19.7067 -28.5941 -19.6916 33.1159 50.3335 -26.609 46.2804 -13.0036 TIMING: 613000 CPU: 1825.63, 0.00295812/step Wall: 1825.63, 0.00295812/step, 3.6048 hours remaining, 206.285156 MB of memory in use. ENERGY: 613000 719.6130 2115.7958 1909.4941 122.0521 -206439.1641 18288.1605 0.0000 0.0000 34226.6942 -149057.3545 298.9102 -183284.0487 -148953.1759 299.4700 252.4806 286.8277 558628.8465 -10.9355 -10.7601 PRESSURE: 613200 -111.03 92.604 94.8731 92.6043 -18.1363 33.2315 94.874 33.2324 -62.7381 GPRESSURE: 613200 -61.9887 207.466 109.203 86.4099 -32.2085 24.1735 49.589 128.172 -1.77073 PRESSAVG: 613200 7.23748 20.0942 -23.3468 20.0941 15.8124 -37.8678 -23.3468 -37.8677 -20.9314 GPRESSAVG: 613200 7.18328 20.7025 -23.8719 19.9509 16.0327 -39.6717 -24.688 -36.932 -21.6024 TIMING: 613200 CPU: 1826.22, 0.00294939/step Wall: 1826.22, 0.00294939/step, 3.594 hours remaining, 206.285156 MB of memory in use. ENERGY: 613200 771.4504 2088.9125 1947.3256 111.2003 -205960.8324 17690.4633 0.0000 0.0000 34397.2253 -148954.2549 300.3995 -183351.4802 -148855.8369 299.9180 -63.9683 -31.9893 558076.9249 0.7062 0.5379 PRESSURE: 613400 -319.547 -21.3875 -78.6917 -21.3885 -87.8847 -33.9926 -78.6933 -33.9935 -56.659 GPRESSURE: 613400 -291.593 -76.6537 -11.8507 36.5016 -24.8239 43.9896 -190.851 6.72916 -57.7394 PRESSAVG: 613400 -63.0334 55.668 -44.1487 55.668 -5.57864 44.2953 -44.1486 44.2953 30.0974 GPRESSAVG: 613400 -61.727 54.745 -43.1416 54.366 -4.64159 44.3988 -43.7806 43.8627 28.1632 TIMING: 613400 CPU: 1826.81, 0.00295717/step Wall: 1826.81, 0.00295717/step, 3.60331 hours remaining, 206.285156 MB of memory in use. ENERGY: 613400 737.3344 2125.9357 1914.8328 111.6983 -205728.0244 17518.1018 0.0000 0.0000 34436.0285 -148884.0930 300.7384 -183320.1215 -148786.4308 300.7454 -154.6971 -124.7189 558567.6294 -12.8382 -12.7351 PRESSURE: 613600 -79.836 90.1311 36.0699 90.1294 -167.281 -95.2155 36.0684 -95.2147 -152.824 GPRESSURE: 613600 -58.1374 53.2804 19.6115 169.485 -137.381 -132.17 -2.62647 -64.1344 -110.629 PRESSAVG: 613600 -15.7191 -18.3113 -40.5159 -18.3113 35.2225 29.232 -40.5159 29.232 -8.3931 GPRESSAVG: 613600 -16.8026 -20.5455 -43.3147 -16.3669 35.0797 31.3425 -40.0264 28.1127 -7.04316 TIMING: 613600 CPU: 1827.41, 0.0029796/step Wall: 1827.41, 0.00297961/step, 3.63048 hours remaining, 206.285156 MB of memory in use. ENERGY: 613600 725.5053 2115.4180 1957.4836 106.5534 -205582.5430 17598.8973 0.0000 0.0000 34141.1430 -148937.5424 298.1631 -183078.6854 -148836.0701 299.7302 -133.3136 -102.0490 558532.6710 3.7034 3.7447 PRESSURE: 613800 74.0087 8.53887 -1.61413 8.53914 -256.191 198.706 -1.61462 198.706 -168.72 GPRESSURE: 613800 85.6314 -19.6841 20.2621 40.7658 -198.986 330.1 29.9682 58.9894 -131.315 PRESSAVG: 613800 26.2019 21.1281 -22.2559 21.1282 -21.522 6.59466 -22.2559 6.59468 26.0425 GPRESSAVG: 613800 26.6033 23.5414 -19.7205 20.9533 -21.6351 7.20527 -21.4352 6.39225 25.3366 TIMING: 613800 CPU: 1828.01, 0.00299936/step Wall: 1828.01, 0.00299936/step, 3.65438 hours remaining, 206.285156 MB of memory in use. ENERGY: 613800 763.0258 2121.7762 1940.7620 111.2010 -205904.0815 17581.7703 0.0000 0.0000 34324.5482 -149060.9980 299.7648 -183385.5462 -148970.3514 300.6250 -116.9674 -81.5567 557573.9223 10.2408 10.1016 PRESSURE: 614000 16.088 26.8148 103.718 26.8156 62.9743 1.57967 103.717 1.57979 164.025 GPRESSURE: 614000 61.2366 47.4715 109.969 28.2241 117.448 -41.5191 58.2022 21.6378 152.369 PRESSAVG: 614000 20.0472 24.4482 35.9577 24.4483 -53.2597 -7.38628 35.9577 -7.38627 -13.648 GPRESSAVG: 614000 18.8161 23.9141 36.507 23.838 -53.8237 -8.29685 33.8489 -7.43184 -12.0008 TIMING: 614000 CPU: 1828.6, 0.00297972/step Wall: 1828.6, 0.00297972/step, 3.63029 hours remaining, 206.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 614000 689.0614 2091.3024 1950.4592 123.4545 -206256.3890 17786.4615 0.0000 0.0000 34524.6778 -149090.9723 301.5126 -183615.6501 -149001.7059 299.6150 81.0291 110.3511 556983.7242 -15.6202 -15.6695 PRESSURE: 614200 -68.8045 216.238 51.4433 216.238 -185.965 36.0265 51.4432 36.0277 -216.654 GPRESSURE: 614200 -63.8306 141.105 -8.07474 284.769 -162.151 -35.5054 123.082 17.3233 -147.273 PRESSAVG: 614200 -11.9545 43.6464 50.8626 43.6464 -5.72446 -74.2931 50.8625 -74.2932 39.42 GPRESSAVG: 614200 -10.9348 43.8546 48.0358 44.5457 -5.66469 -76.1153 52.495 -73.2481 38.8495 TIMING: 614200 CPU: 1829.2, 0.00297127/step Wall: 1829.2, 0.00297127/step, 3.61983 hours remaining, 206.285156 MB of memory in use. ENERGY: 614200 747.7461 2106.5088 1925.6921 113.9102 -205770.3039 17512.5494 0.0000 0.0000 34255.6123 -149108.2850 299.1628 -183363.8974 -149005.3184 300.3414 -157.1411 -124.4185 556519.1423 7.2470 7.4167 PRESSURE: 614400 -213.274 88.5065 -65.1973 88.5063 -44.6511 172.683 -65.1983 172.682 -126.739 GPRESSURE: 614400 -208.729 27.5213 -128.68 90.1333 -23.1635 119.966 56.0212 106.611 -41.7557 PRESSAVG: 614400 36.5705 30.1335 31.9899 30.1335 -34.2494 21.3612 31.9899 21.3611 38.3259 GPRESSAVG: 614400 36.7056 29.8553 33.1897 28.7087 -35.2832 24.7287 32.6565 20.6432 39.0737 TIMING: 614400 CPU: 1829.79, 0.00297668/step Wall: 1829.79, 0.00297668/step, 3.62625 hours remaining, 206.285156 MB of memory in use. ENERGY: 614400 706.1170 2151.8735 1941.6677 110.3802 -205555.3484 17342.3857 0.0000 0.0000 34291.8225 -149011.1019 299.4790 -183302.9243 -148920.7372 299.9150 -128.2214 -91.2161 558597.7856 13.5490 13.4987 PRESSURE: 614600 82.049 140.399 54.0824 140.399 115.07 136.241 54.0818 136.244 189.7 GPRESSURE: 614600 145.014 210.248 29.1878 49.6106 173.401 181.438 8.03498 73.1815 157.117 PRESSAVG: 614600 22.5224 42.8517 -32.5222 42.8518 -43.3264 -25.5821 -32.5222 -25.5822 2.33676 GPRESSAVG: 614600 22.3056 43.3668 -32.6898 42.8088 -41.6687 -27.8848 -34.0061 -23.9217 0.966897 TIMING: 614600 CPU: 1830.39, 0.0029822/step Wall: 1830.39, 0.0029822/step, 3.63282 hours remaining, 206.285156 MB of memory in use. ENERGY: 614600 751.3450 2109.5460 1954.1997 98.9046 -206343.3229 17946.7222 0.0000 0.0000 34429.2072 -149053.3983 300.6788 -183482.6055 -148954.3673 299.8381 128.9395 158.5106 557023.4174 -6.1557 -6.1321 PRESSURE: 614800 129.542 -16.7838 48.5654 -16.784 21.9193 241.818 48.5663 241.818 28.2611 GPRESSURE: 614800 172.297 57.3523 63.8084 -35.9469 56.571 240.962 -48.2503 192.077 26.4832 PRESSAVG: 614800 -5.92948 30.3635 -3.2543 30.3634 1.75509 70.7201 -3.25433 70.7201 46.6311 GPRESSAVG: 614800 -6.00326 30.5574 -2.94271 29.7751 1.59438 72.5717 -4.59835 69.3871 46.4901 TIMING: 614800 CPU: 1830.99, 0.00301312/step Wall: 1830.99, 0.00301312/step, 3.67032 hours remaining, 206.285156 MB of memory in use. ENERGY: 614800 764.3531 2103.4992 1924.4443 129.3649 -206532.9302 18017.5049 0.0000 0.0000 34435.3347 -149158.4290 300.7323 -183593.7638 -149052.1446 300.3181 59.9074 85.1171 558803.8407 14.1522 14.0271 PRESSURE: 615000 60.7094 -47.9628 34.3773 -47.9632 141.296 76.7738 34.3776 76.7747 217.198 GPRESSURE: 615000 128.786 -58.4576 7.28393 -69.9357 166.104 67.1372 -34.4263 104.021 212.153 PRESSAVG: 615000 -14.5129 -11.0908 -25.6109 -11.0909 48.4768 28.8191 -25.6109 28.8191 10.3965 GPRESSAVG: 615000 -13.4684 -11.5526 -26.5687 -11.5892 47.9569 27.6853 -25.2957 29.7428 10.4296 TIMING: 615000 CPU: 1831.59, 0.0029998/step Wall: 1831.59, 0.0029998/step, 3.65392 hours remaining, 206.285156 MB of memory in use. ENERGY: 615000 730.0862 2134.5740 1948.8545 115.4589 -206532.4795 18063.0763 0.0000 0.0000 34323.2747 -149217.1550 299.7537 -183540.4297 -149114.8935 300.0791 139.7346 169.0146 557763.3974 14.7868 14.9727 PRESSURE: 615200 -154.942 20.826 -69.0249 20.8256 -77.5409 7.64352 -69.0245 7.64176 -136.597 GPRESSURE: 615200 -108.542 14.0197 -48.7434 17.13 -83.4755 -118.445 -83.0511 4.6947 -83.6324 PRESSAVG: 615200 -38.3344 -16.9255 -12.3069 -16.9255 21.0817 82.0426 -12.3069 82.0426 -30.3063 GPRESSAVG: 615200 -39.3261 -16.738 -13.3041 -15.3667 20.9062 82.2234 -9.51456 81.9137 -29.1721 TIMING: 615200 CPU: 1832.19, 0.0029884/step Wall: 1832.19, 0.00298841/step, 3.63988 hours remaining, 206.285156 MB of memory in use. ENERGY: 615200 743.2461 2127.6074 1915.8876 124.7114 -205820.5732 17426.4582 0.0000 0.0000 34433.9145 -149048.7482 300.7199 -183482.6626 -148950.7153 299.7673 -123.0266 -91.8834 557724.2608 -15.8530 -15.8640 PRESSURE: 615400 -179.563 36.4057 80.6587 36.4039 -98.162 -7.2424 80.6589 -7.2436 -260.523 GPRESSURE: 615400 -118.218 125.94 27.7545 84.6861 -106.328 -48.8569 -53.172 -54.1632 -211.672 PRESSAVG: 615400 -24.901 25.4482 -61.3312 25.4483 -13.2886 1.43142 -61.3313 1.43132 2.52617 GPRESSAVG: 615400 -24.5581 27.1943 -60.0918 25.6434 -13.5785 0.233909 -62.5713 1.48511 2.25604 TIMING: 615400 CPU: 1832.79, 0.00299393/step Wall: 1832.79, 0.00299393/step, 3.64644 hours remaining, 206.285156 MB of memory in use. ENERGY: 615400 735.1726 2081.6683 1976.1244 119.5730 -205829.3285 17549.6995 0.0000 0.0000 34255.6258 -149111.4647 299.1629 -183367.0905 -149018.5649 299.6101 -179.4162 -145.4061 558547.7561 -11.8878 -11.9602 PRESSURE: 615600 -95.6096 -40.7201 -154.034 -40.72 10.7138 -0.0719359 -154.035 -0.0724102 88.9055 GPRESSURE: 615600 -52.2737 -13.1741 -136.262 -9.93815 -1.4532 11.8973 -162.71 38.0012 171.8 PRESSAVG: 615600 17.5788 -5.17065 -14.116 -5.17058 72.5208 -23.3932 -14.1161 -23.3932 -40.3626 GPRESSAVG: 615600 16.3085 -6.56963 -12.5961 -6.03716 73.2251 -21.5998 -13.7712 -22.3001 -39.5378 TIMING: 615600 CPU: 1833.39, 0.00299692/step Wall: 1833.39, 0.00299692/step, 3.64991 hours remaining, 206.285156 MB of memory in use. ENERGY: 615600 763.2315 2142.5554 1957.0522 113.3825 -206280.2646 17910.0569 0.0000 0.0000 34219.9478 -149174.0384 298.8513 -183393.9861 -149082.6913 300.0106 1.3366 39.3576 557223.8920 16.5790 16.6653 PRESSURE: 615800 86.5157 -9.18938 -2.12307 -9.18979 399.812 94.7896 -2.12286 94.788 49.4176 GPRESSURE: 615800 112.663 69.0438 10.1834 -80.8529 408.208 136.124 17.3227 93.0763 127.887 PRESSAVG: 615800 -64.2762 32.1581 8.40806 32.1581 7.99184 3.05355 8.40797 3.05356 68.9277 GPRESSAVG: 615800 -64.0079 31.3804 7.93642 34.3815 8.1384 1.31745 7.41681 1.95592 68.0211 TIMING: 615800 CPU: 1833.98, 0.00295992/step Wall: 1833.98, 0.00295992/step, 3.60469 hours remaining, 206.285156 MB of memory in use. ENERGY: 615800 732.3381 2102.0354 1942.9867 114.9368 -206593.3423 18021.1232 0.0000 0.0000 34434.4737 -149245.4486 300.7248 -183679.9222 -149149.2708 299.4055 178.5818 216.2525 555060.4114 4.2145 4.0505 PRESSURE: 616000 138.624 -62.1624 -169.474 -62.1624 61.6761 24.404 -169.475 24.4037 -187.439 GPRESSURE: 616000 151.831 -28.6808 -223.276 -29.2664 75.9155 81.1917 -78.9991 -39.1906 -115.061 PRESSAVG: 616000 -53.4284 -7.44996 3.46353 -7.44991 38.2233 10.6562 3.46352 10.6563 -4.32421 GPRESSAVG: 616000 -52.5625 -6.40239 4.64954 -8.36691 37.2981 13.1477 2.2279 10.8028 -4.54563 TIMING: 616000 CPU: 1834.58, 0.00299809/step Wall: 1834.58, 0.00299809/step, 3.65101 hours remaining, 206.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 616000 756.7170 2135.2077 1947.8399 115.5587 -206428.1657 17801.9900 0.0000 0.0000 34533.3009 -149137.5515 301.5879 -183670.8524 -149035.2628 299.8705 4.2872 37.5619 553917.0796 -6.5098 -6.6033 PRESSURE: 616200 73.1396 -17.7479 -13.1672 -17.7483 -140.631 203.272 -13.1666 203.271 59.8026 GPRESSURE: 616200 123.379 -19.0579 -98.6453 -30.6541 -110.665 152.701 -1.39588 277.654 88.0053 PRESSAVG: 616200 -72.1955 -0.0135044 -37.305 -0.0134407 -49.3685 5.68674 -37.3051 5.68664 74.7453 GPRESSAVG: 616200 -73.1453 -1.09702 -39.0746 -0.837522 -48.3894 2.8277 -36.5175 6.79789 74.5705 TIMING: 616200 CPU: 1835.17, 0.00297608/step Wall: 1835.17, 0.00297608/step, 3.62404 hours remaining, 206.285156 MB of memory in use. ENERGY: 616200 737.9370 2098.3654 1956.5378 112.0403 -206051.4299 17588.5326 0.0000 0.0000 34344.3903 -149213.6265 299.9381 -183558.0169 -149113.4099 299.5925 -2.5629 33.5729 555136.1178 -15.6063 -15.6547 LDB: ============= START OF LOAD BALANCING ============== 1838.72 LDB: ============== END OF LOAD BALANCING =============== 1838.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1838.72 LDB: ============= START OF LOAD BALANCING ============== 1839.02 LDB: Largest compute 4773 load 0.028756 is 24.4% of average load 0.118044 LDB: Average compute 0.001735 is 1.5% of average load 0.118044 LDB: TIME 1839.02 LOAD: AVG 0.118044 MAX 0.204722 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.285 MB LDB: TIME 1839.02 LOAD: AVG 0.118044 MAX 0.204722 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.285 MB LDB: TIME 1839.02 LOAD: AVG 0.118044 MAX 0.204722 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.285 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1839.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1839.03 PRESSURE: 616400 -13.0197 -19.3993 102.951 -19.4 -151.738 88.7534 102.952 88.7534 85.9562 GPRESSURE: 616400 -8.01895 -24.4479 145.159 58.5972 -116.19 72.6298 -28.4192 101.794 149.382 PRESSAVG: 616400 8.10682 51.5084 14.5189 51.5084 -27.758 34.1923 14.5189 34.1922 37.0812 GPRESSAVG: 616400 8.14117 51.6602 15.02 50.9986 -28.4391 34.475 15.0292 35.4634 38.7272 TIMING: 616400 CPU: 1835.78, 0.00302795/step Wall: 1835.78, 0.00302795/step, 3.68703 hours remaining, 207.113281 MB of memory in use. ENERGY: 616400 733.2741 2151.2088 1945.9725 118.4896 -205852.0505 17547.1929 0.0000 0.0000 34096.2287 -149259.6839 297.7708 -183355.9126 -149170.2320 299.3132 -26.2670 8.3911 557262.4698 5.8100 6.1431 PRESSURE: 616600 -31.6983 24.091 -180.595 24.0901 -21.5213 -13.6118 -180.596 -13.613 -219.646 GPRESSURE: 616600 -3.12966 24.9177 -115.774 -26.1677 44.2011 74.9972 -230.074 -68.0151 -210.833 PRESSAVG: 616600 -46.2762 -12.4468 25.5264 -12.4468 -5.12988 9.83634 25.5264 9.83633 45.5256 GPRESSAVG: 616600 -45.6028 -14.3269 25.8561 -11.6569 -5.4077 12.8662 25.8768 7.93797 45.0012 TIMING: 616600 CPU: 1836.38, 0.00300314/step Wall: 1836.38, 0.00300314/step, 3.65666 hours remaining, 207.183594 MB of memory in use. ENERGY: 616600 730.5078 2086.0177 1928.9887 111.2940 -205929.1525 17599.8252 0.0000 0.0000 34379.2872 -149093.2320 300.2429 -183472.5192 -148994.4738 299.3989 -90.9551 -56.5871 557375.7226 -1.9601 -2.0031 PRESSURE: 616800 -126.173 18.9569 -34.6485 18.9562 141.088 69.4902 -34.6478 69.4907 196.256 GPRESSURE: 616800 -48.0406 -14.7293 -14.8773 24.3309 187.756 104.186 -62.4789 25.556 171.701 PRESSAVG: 616800 10.5282 11.3824 -18.1807 11.3823 6.40868 -15.4069 -18.1806 -15.4069 -22.784 GPRESSAVG: 616800 9.97976 15.1478 -18.9699 10.1028 7.98982 -16.5453 -18.9839 -14.919 -24.1127 TIMING: 616800 CPU: 1836.98, 0.00298813/step Wall: 1836.98, 0.00298813/step, 3.63821 hours remaining, 207.183594 MB of memory in use. ENERGY: 616800 752.1224 2062.6348 1950.0999 112.7686 -206424.1737 18017.4319 0.0000 0.0000 34239.7723 -149289.3438 299.0244 -183529.1161 -149193.9155 298.8495 70.3902 103.8055 557148.7111 -1.9490 -2.0477 PRESSURE: 617000 -148.615 154.788 78.5467 154.788 199.147 -89.3516 78.5457 -89.3517 -52.1544 GPRESSURE: 617000 -74.2283 129.229 95.1804 178.41 188.544 -74.9687 -1.77066 -77.4435 -1.04587 PRESSAVG: 617000 23.0807 39.6863 13.3099 39.6863 5.92561 -17.5932 13.31 -17.5932 -15.9981 GPRESSAVG: 617000 22.5945 38.4307 13.5752 40.1599 4.47768 -18.1769 12.2111 -15.399 -14.1392 TIMING: 617000 CPU: 1837.57, 0.00297206/step Wall: 1837.57, 0.00297206/step, 3.61849 hours remaining, 207.183594 MB of memory in use. ENERGY: 617000 717.4074 2072.7270 1932.7787 115.0124 -205830.2797 17618.4145 0.0000 0.0000 34092.2066 -149281.7332 297.7357 -183373.9397 -149184.5799 298.5367 -0.5410 37.7566 557283.7571 4.3361 4.3110 PRESSURE: 617200 102.814 0.457955 -52.8454 0.459254 193.608 133.96 -52.8455 133.959 -53.8807 GPRESSURE: 617200 206.485 4.38191 -64.4009 -6.60422 179.935 46.1976 0.74214 99.8175 -43.1267 PRESSAVG: 617200 -52.7074 -30.2762 12.0935 -30.2763 24.3558 -8.81297 12.0934 -8.81293 10.7051 GPRESSAVG: 617200 -52.5232 -31.8691 12.0938 -28.717 24.9277 -7.7983 13.2768 -10.5983 10.5017 TIMING: 617200 CPU: 1838.17, 0.00297821/step Wall: 1838.17, 0.00297821/step, 3.6258 hours remaining, 207.183594 MB of memory in use. ENERGY: 617200 704.6923 2119.7969 1923.1126 103.5383 -206331.3669 17876.5511 0.0000 0.0000 34385.3957 -149218.2799 300.2962 -183603.6756 -149120.6978 299.1271 80.8471 114.4312 557339.3714 -5.8822 -5.6979 PRESSURE: 617400 -11.6518 -59.4933 -163.973 -59.4939 -182.56 -79.1156 -163.975 -79.1169 -298.495 GPRESSURE: 617400 28.212 -193.999 -126.161 -96.5403 -152.677 -123.963 -142.271 -143.724 -283.702 PRESSAVG: 617400 36.5053 -17.4049 -30.731 -17.405 31.8601 -53.3695 -30.7309 -53.3695 -45.217 GPRESSAVG: 617400 36.0783 -15.9946 -32.2205 -20.5196 31.8585 -54.1675 -30.815 -54.4124 -44.5848 TIMING: 617400 CPU: 1838.76, 0.00299017/step Wall: 1838.76, 0.00299017/step, 3.6402 hours remaining, 207.183594 MB of memory in use. ENERGY: 617400 730.5404 2061.6412 1944.9865 117.9633 -206042.6527 17583.1854 0.0000 0.0000 34559.9102 -149044.4258 301.8203 -183604.3360 -148946.5375 299.7155 -164.2354 -136.0557 557850.5029 7.7162 7.7840 PRESSURE: 617600 143.841 58.7927 114.265 58.7915 143.292 368.124 114.267 368.124 -24.2043 GPRESSURE: 617600 240.048 71.0624 57.1821 25.3113 170.835 312.15 60.9281 298.206 -39.9051 PRESSAVG: 617600 33.3065 -18.0346 0.635006 -18.0347 44.7497 16.1937 0.63501 16.1938 -69.5765 GPRESSAVG: 617600 32.8792 -18.6616 0.872021 -14.4805 45.58 15.9793 -0.116947 15.789 -69.8861 TIMING: 617600 CPU: 1839.36, 0.00299574/step Wall: 1839.36, 0.00299574/step, 3.64682 hours remaining, 207.183594 MB of memory in use. ENERGY: 617600 744.4055 2094.6282 1923.1153 112.0996 -206060.7238 17891.5948 0.0000 0.0000 34205.3903 -149089.4901 298.7242 -183294.8804 -148997.3933 299.9378 87.6428 123.6593 557692.5325 2.8266 2.8577 PRESSURE: 617800 110.346 -169.128 -30.7627 -169.128 -47.31 -3.7808 -30.7622 -3.78131 -227.528 GPRESSURE: 617800 140.561 -151.832 -75.1912 -202.28 -23.8145 -36.444 56.3645 -28.6262 -191.521 PRESSAVG: 617800 50.9887 -18.2762 1.62854 -18.2762 41.6532 28.2539 1.6284 28.2538 -79.0943 GPRESSAVG: 617800 51.9116 -16.2314 2.92201 -19.5073 41.9631 28.033 2.06968 27.7782 -79.8163 TIMING: 617800 CPU: 1839.96, 0.00297474/step Wall: 1839.96, 0.00297474/step, 3.62109 hours remaining, 207.183594 MB of memory in use. ENERGY: 617800 718.4577 2089.1928 1915.7072 103.0484 -205792.2411 17526.4592 0.0000 0.0000 34375.8472 -149063.5287 300.2128 -183439.3759 -148970.3720 299.6963 -54.8306 -24.9248 555772.8577 4.5159 4.6861 PRESSURE: 618000 -51.128 51.3776 -251.478 51.3761 3.49006 110.012 -251.478 110.012 41.0995 GPRESSURE: 618000 14.1481 30.4147 -297.017 11.508 -10.9484 62.1137 -200.961 130.814 87.4969 PRESSAVG: 618000 79.2771 10.9371 -19.6623 10.9371 -60.3846 -30.053 -19.6624 -30.053 -43.8968 GPRESSAVG: 618000 79.0752 10.6162 -20.144 11.3039 -61.2317 -28.6044 -18.8529 -29.262 -42.801 TIMING: 618000 CPU: 1840.56, 0.00299458/step Wall: 1840.56, 0.00299458/step, 3.64507 hours remaining, 207.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 618000 733.8497 2119.5285 1932.8777 111.0047 -206222.8348 17865.7702 0.0000 0.0000 34524.2156 -148935.5884 301.5086 -183459.8040 -148840.4277 299.8775 -2.1795 30.2322 557732.5971 -8.3348 -8.3192 PRESSURE: 618200 130.436 -72.2663 -120.754 -72.267 139.237 1.39095 -120.755 1.39312 -21.4572 GPRESSURE: 618200 195.869 -21.1697 -70.6668 -62.7036 124.676 -19.6767 -113.529 4.31681 14.0629 PRESSAVG: 618200 35.6429 7.56537 -61.5888 7.56533 -32.1294 -33.6628 -61.5889 -33.6627 -32.0629 GPRESSAVG: 618200 34.9073 8.30503 -60.7502 6.88914 -31.2997 -34.1746 -61.5399 -33.531 -31.7986 TIMING: 618200 CPU: 1841.15, 0.00297972/step Wall: 1841.15, 0.00297972/step, 3.62682 hours remaining, 207.183594 MB of memory in use. ENERGY: 618200 759.6464 2170.0108 1919.8117 108.9034 -206052.5451 17877.6522 0.0000 0.0000 34251.7163 -148964.8044 299.1288 -183216.5206 -148872.2159 299.8244 82.7384 111.5359 556937.2868 -9.5165 -9.3970 PRESSURE: 618400 -113.13 -52.7631 204.806 -52.7629 -240.652 114.283 204.805 114.283 -100.983 GPRESSURE: 618400 -106.879 -104.698 169.748 61.2204 -193.455 125.408 265.913 67.4202 -56.7203 PRESSAVG: 618400 90.0417 27.0116 -46.6435 27.0116 -97.322 1.37261 -46.6435 1.37259 22.1742 GPRESSAVG: 618400 90.601 23.9237 -49.4631 26.2631 -97.7364 0.492405 -45.8301 2.22327 22.3432 TIMING: 618400 CPU: 1841.75, 0.00299506/step Wall: 1841.75, 0.00299506/step, 3.64532 hours remaining, 207.183594 MB of memory in use. ENERGY: 618400 797.0343 2125.3148 1942.2398 97.6456 -205975.6488 17667.2744 0.0000 0.0000 34292.1314 -149054.0085 299.4817 -183346.1400 -148958.2865 300.0333 -151.5884 -119.0180 559225.0014 4.9646 5.0692 PRESSURE: 618600 -129.12 -6.97708 -30.6445 -6.97682 -10.8723 -118.094 -30.6447 -118.094 -16.0796 GPRESSURE: 618600 -88.918 37.6728 -37.7034 62.9034 -7.5141 -163.744 -18.5501 -82.7081 32.3156 PRESSAVG: 618600 -33.5104 31.1849 -16.7312 31.1849 -16.4504 16.4169 -16.7312 16.4169 41.2238 GPRESSAVG: 618600 -34.1474 32.7763 -15.2026 32.2313 -16.5392 14.9326 -16.0102 16.7115 41.9601 TIMING: 618600 CPU: 1842.35, 0.00298318/step Wall: 1842.35, 0.00298318/step, 3.63069 hours remaining, 207.183594 MB of memory in use. ENERGY: 618600 718.1910 2120.9823 1965.7744 114.4488 -205994.3368 17692.6808 0.0000 0.0000 34094.9028 -149287.3567 297.7593 -183382.2595 -149188.3322 299.6021 -52.0240 -21.3722 557068.3426 -2.9123 -2.9088 PRESSURE: 618800 -280.038 48.4202 -65.0686 48.4204 -287.951 115.467 -65.0683 115.466 -194.862 GPRESSURE: 618800 -237.408 77.54 -46.6017 -20.1035 -242.46 145.471 -94.7419 123.027 -181.817 PRESSAVG: 618800 62.5052 -35.1829 19.8777 -35.183 -41.7448 32.0338 19.8777 32.0337 22.7426 GPRESSAVG: 618800 63.6954 -33.4063 20.8982 -36.5582 -41.734 32.8686 17.0988 29.3177 22.2085 TIMING: 618800 CPU: 1842.95, 0.0030031/step Wall: 1842.95, 0.0030031/step, 3.65477 hours remaining, 207.183594 MB of memory in use. ENERGY: 618800 703.6813 2059.0820 1954.6372 105.4070 -205780.0388 17377.4047 0.0000 0.0000 34265.3510 -149314.4756 299.2478 -183579.8266 -149206.1802 299.3293 -254.2837 -220.5617 556716.1212 14.5010 14.7233 PRESSURE: 619000 -26.815 151.81 -5.98252 151.81 -27.3975 -81.7785 -5.98024 -81.7799 416.345 GPRESSURE: 619000 14.7295 131.898 42.0732 207.107 -4.63158 -108.356 22.5014 -104.23 454.459 PRESSAVG: 619000 11.4708 -28.0901 11.7216 -28.0902 -7.14774 43.1495 11.7215 43.1494 -29.0267 GPRESSAVG: 619000 10.3423 -29.5899 10.9448 -27.1225 -6.2644 42.9569 11.8463 47.1098 -28.7244 TIMING: 619000 CPU: 1843.55, 0.00300238/step Wall: 1843.55, 0.00300238/step, 3.65373 hours remaining, 207.183594 MB of memory in use. ENERGY: 619000 733.9907 2086.7306 1934.1900 105.3769 -206572.4909 18032.8609 0.0000 0.0000 34378.0989 -149301.2429 300.2325 -183679.3418 -149211.6238 299.5798 120.7107 154.8524 556681.9618 -8.2345 -8.2155 PRESSURE: 619200 -12.9824 -124.662 -91.2176 -124.661 91.7105 -52.8089 -91.2184 -52.8092 46.2256 GPRESSURE: 619200 -0.960312 -102.011 -54.622 -43.7201 96.4969 -30.1936 -120.445 -101.896 127.785 PRESSAVG: 619200 -43.0821 -17.523 -13.4359 -17.5229 69.0189 38.4156 -13.4359 38.4155 4.06555 GPRESSAVG: 619200 -42.4487 -17.6731 -11.788 -19.0994 68.5804 39.8925 -14.1153 36.212 4.38821 TIMING: 619200 CPU: 1844.15, 0.00299797/step Wall: 1844.15, 0.00299797/step, 3.64819 hours remaining, 207.183594 MB of memory in use. ENERGY: 619200 711.0733 2101.0002 1922.3945 105.1139 -206456.0090 17730.3306 0.0000 0.0000 34462.8770 -149423.2195 300.9729 -183886.0965 -149319.1255 298.8498 41.6512 74.4406 556579.3046 10.0008 10.1733 PRESSURE: 619400 74.5423 -16.2933 -3.83365 -16.2936 -172.832 -13.0322 -3.83273 -13.0326 -62.7043 GPRESSURE: 619400 124.315 27.864 59.2999 -34.2893 -157.57 -26.6395 -5.57048 112.309 -22.7843 PRESSAVG: 619400 42.8805 37.9417 18.4701 37.9417 -59.1861 0.887582 18.4701 0.887609 33.9756 GPRESSAVG: 619400 42.0399 36.7423 16.7404 41.1913 -58.0292 -0.888132 18.7208 0.635604 33.7434 TIMING: 619400 CPU: 1844.75, 0.00297539/step Wall: 1844.75, 0.00297539/step, 3.62055 hours remaining, 207.183594 MB of memory in use. ENERGY: 619400 741.8842 2074.2478 1933.5273 107.6232 -206058.0080 17719.8117 0.0000 0.0000 34189.2992 -149291.6145 298.5837 -183480.9138 -149188.2158 298.9078 -53.6646 -18.6797 557265.2145 5.8900 5.9180 PRESSURE: 619600 1.77465 17.3349 -96.8128 17.3342 177.162 226.319 -96.8135 226.321 -57.3619 GPRESSURE: 619600 30.8812 -18.6542 -50.6992 95.189 206.48 216.804 -106.357 181.309 -24.3928 PRESSAVG: 619600 5.57515 3.43523 -45.7688 3.43517 13.8239 27.6654 -45.7688 27.6654 6.10544 GPRESSAVG: 619600 6.04464 4.42748 -43.8143 -0.758573 13.1774 29.0362 -45.648 27.3094 6.45453 TIMING: 619600 CPU: 1845.34, 0.0029879/step Wall: 1845.34, 0.0029879/step, 3.63561 hours remaining, 207.183594 MB of memory in use. ENERGY: 619600 704.4421 2117.6336 1936.5131 117.0724 -206258.2294 17844.5893 0.0000 0.0000 34354.9396 -149183.0394 300.0302 -183537.9790 -149089.7614 299.7244 40.5247 70.9894 556380.5884 8.5015 8.5589 PRESSURE: 619800 30.9907 194.991 -60.3305 194.99 -263.215 117.352 -60.3306 117.351 276.452 GPRESSURE: 619800 121.419 311.47 -95.5755 152.479 -256.467 131.974 -2.39693 119.68 300.005 PRESSAVG: 619800 49.4541 2.35292 -70.3303 2.35299 -13.0103 -13.8658 -70.3302 -13.8659 -35.5621 GPRESSAVG: 619800 50.407 3.07283 -70.9626 3.63338 -13.862 -15.5154 -69.8667 -12.1259 -35.8473 TIMING: 619800 CPU: 1845.94, 0.0029789/step Wall: 1845.94, 0.0029789/step, 3.62449 hours remaining, 207.183594 MB of memory in use. ENERGY: 619800 736.1579 2150.6806 1924.7750 111.3704 -206192.6233 17719.0973 0.0000 0.0000 34278.3339 -149272.2083 299.3612 -183550.5422 -149179.2656 299.1135 14.7425 54.9855 555590.2766 0.2939 0.2325 PRESSURE: 620000 30.847 -17.4033 -23.1806 -17.4046 -49.7928 -100.534 -23.1826 -100.534 -106.256 GPRESSURE: 620000 139.432 -46.2807 -55.2383 34.1847 -36.1515 -129.086 -57.2569 -44.1848 -129.795 PRESSAVG: 620000 25.3984 31.4353 -60.4307 31.4353 -49.4512 46.2282 -60.4306 46.2282 -31.5209 GPRESSAVG: 620000 24.9816 29.8743 -59.0534 33.0667 -47.8692 47.3446 -61.3909 46.8818 -32.5303 TIMING: 620000 CPU: 1846.53, 0.00295538/step Wall: 1846.53, 0.00295538/step, 3.59571 hours remaining, 207.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 620000 726.7692 2144.9646 1901.3077 112.6829 -205779.4264 17596.5285 0.0000 0.0000 34143.2700 -149153.9035 298.1817 -183297.1735 -149065.2729 298.4208 -41.7340 -8.8380 558898.9109 -18.5246 -18.4727 PRESSURE: 620200 243.86 104.154 -13.2812 104.152 -11.1829 14.38 -13.2821 14.3802 21.0526 GPRESSURE: 620200 287.724 101.032 -47.3422 43.8346 22.9005 6.04632 -36.5209 5.90136 41.4883 PRESSAVG: 620200 50.733 24.4822 -26.0812 24.4823 -12.6571 -11.6054 -26.0812 -11.6053 -32.1326 GPRESSAVG: 620200 50.2455 25.6937 -24.6289 24.769 -13.728 -12.047 -27.0708 -12.7029 -30.6083 TIMING: 620200 CPU: 1847.13, 0.00298357/step Wall: 1847.13, 0.00298357/step, 3.62984 hours remaining, 207.183594 MB of memory in use. ENERGY: 620200 748.0979 2082.0044 1918.3631 111.5393 -206221.5012 17918.5892 0.0000 0.0000 34072.9753 -149369.9319 297.5678 -183442.9072 -149275.7527 298.7132 84.5764 117.3711 558045.7227 1.9811 1.9697 LDB: ============= START OF LOAD BALANCING ============== 1850.67 LDB: ============== END OF LOAD BALANCING =============== 1850.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1850.67 LDB: ============= START OF LOAD BALANCING ============== 1850.98 LDB: Largest compute 4773 load 0.026780 is 22.7% of average load 0.118079 LDB: Average compute 0.001736 is 1.5% of average load 0.118079 LDB: TIME 1850.98 LOAD: AVG 0.118079 MAX 0.207349 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.656 MB LDB: TIME 1850.98 LOAD: AVG 0.118079 MAX 0.207349 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.855 MB LDB: TIME 1850.98 LOAD: AVG 0.118079 MAX 0.207349 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.855 MB LDB: ============== END OF LOAD BALANCING =============== 1850.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1850.98 PRESSURE: 620400 64.6446 73.5241 -12.7412 73.525 12.2194 99.2074 -12.7409 99.2072 62.1442 GPRESSURE: 620400 66.4224 -25.0376 -60.1213 180.029 57.7658 198.383 3.48328 85.1176 113.458 PRESSAVG: 620400 81.2645 76.3865 -52.3133 76.3865 -55.2623 19.4695 -52.3132 19.4694 -69.5367 GPRESSAVG: 620400 79.529 75.7854 -56.1384 77.1094 -54.2748 19.789 -50.6427 18.4683 -69.2769 TIMING: 620400 CPU: 1847.73, 0.00303865/step Wall: 1847.73, 0.00303865/step, 3.69669 hours remaining, 207.429688 MB of memory in use. ENERGY: 620400 719.0052 2108.4107 1950.2449 110.5920 -206679.7048 18058.0307 0.0000 0.0000 34198.0740 -149535.3473 298.6603 -183733.4213 -149439.4381 298.9132 46.3361 79.2156 557519.1556 -14.5115 -14.6742 PRESSURE: 620600 24.6288 137.695 109.996 137.695 76.5821 95.626 109.996 95.6259 -115.261 GPRESSURE: 620600 62.8705 131.376 91.3302 70.5107 81.6814 163.934 110.082 25.8696 -68.151 PRESSAVG: 620600 0.269521 -0.8717 5.14513 -0.871719 2.0113 13.9442 5.14526 13.9443 -36.3151 GPRESSAVG: 620600 1.90667 -0.467121 4.64912 -3.65826 1.32909 14.4406 6.74274 15.6395 -37.4304 TIMING: 620600 CPU: 1848.33, 0.00297732/step Wall: 1848.33, 0.00297732/step, 3.62191 hours remaining, 207.687500 MB of memory in use. ENERGY: 620600 748.2724 2119.9624 1930.4749 109.8207 -206870.1589 18228.4531 0.0000 0.0000 34244.7268 -149488.4486 299.0677 -183733.1755 -149391.7510 298.2636 -4.6833 25.4669 559027.7921 -11.3448 -11.3982 PRESSURE: 620800 -51.0388 -20.3614 -64.9918 -20.3607 -61.3855 5.29834 -64.9917 5.29764 92.7247 GPRESSURE: 620800 30.7428 -84.7153 -87.9628 -15.737 -72.7929 18.834 -78.2638 -1.15083 125.585 PRESSAVG: 620800 -36.2382 11.8458 11.7619 11.8457 18.0397 -5.25482 11.762 -5.25492 53.7133 GPRESSAVG: 620800 -37.8235 10.8604 11.6074 14.348 18.7498 -4.69706 12.8274 -5.28725 53.8837 TIMING: 620800 CPU: 1848.92, 0.00296771/step Wall: 1848.92, 0.00296771/step, 3.61005 hours remaining, 207.687500 MB of memory in use. ENERGY: 620800 731.8885 2144.3222 1916.9019 113.2265 -206471.1173 17952.0492 0.0000 0.0000 34142.2868 -149470.4421 298.1731 -183612.7289 -149377.5978 298.0477 -6.5665 27.8450 560302.0442 11.8382 11.6033 PRESSURE: 621000 -308.058 163.115 -74.7046 163.115 75.0131 139.051 -74.7039 139.052 -197.332 GPRESSURE: 621000 -339.034 90.3646 -104.537 169.168 120.893 158.461 5.83861 127.435 -111.833 PRESSAVG: 621000 -23.0773 16.2394 45.1781 16.2394 4.83516 1.99166 45.178 1.99159 -6.32928 GPRESSAVG: 621000 -22.2694 15.8411 47.2834 14.0293 5.07647 0.373259 43.4384 0.83874 -7.29296 TIMING: 621000 CPU: 1849.52, 0.00296357/step Wall: 1849.52, 0.00296357/step, 3.60486 hours remaining, 207.687500 MB of memory in use. ENERGY: 621000 774.8603 2106.7705 1939.5714 100.5036 -206150.3023 17796.9579 0.0000 0.0000 33978.8057 -149452.8330 296.7454 -183431.6387 -149352.5233 298.1042 -143.4590 -109.9913 559381.5353 -8.1905 -8.1620 PRESSURE: 621200 -9.5537 97.8624 21.7353 97.8618 45.4166 -95.4541 21.7349 -95.4545 98.2872 GPRESSURE: 621200 48.5871 143.369 15.6324 11.01 83.2934 -36.9063 29.7695 -77.0788 110.26 PRESSAVG: 621200 -24.1847 71.4188 50.286 71.4188 -12.3662 17.8158 50.286 17.8158 -5.28363 GPRESSAVG: 621200 -24.3308 72.142 50.1219 72.1377 -13.4199 16.6901 49.7221 19.091 -3.87137 TIMING: 621200 CPU: 1850.11, 0.00298894/step Wall: 1850.11, 0.00298894/step, 3.63555 hours remaining, 207.687500 MB of memory in use. ENERGY: 621200 773.4579 2082.5043 1910.6790 116.6173 -206479.1254 17963.7174 0.0000 0.0000 34147.1722 -149484.9774 298.2157 -183632.1496 -149391.5644 297.5983 44.7167 80.7135 557740.5595 -13.9448 -13.8740 PRESSURE: 621400 23.713 -36.2658 122.264 -36.2663 119.035 -89.6033 122.262 -89.6043 -20.1532 GPRESSURE: 621400 -5.7531 -75.5179 122.17 -13.4792 200.764 32.1329 216.778 -194.809 22.5707 PRESSAVG: 621400 14.3094 69.2045 36.1882 69.2045 25.8417 42.0043 36.1883 42.0045 11.6159 GPRESSAVG: 621400 14.2875 68.0528 36.5163 71.6928 26.5409 44.8068 37.3594 39.4789 10.6169 TIMING: 621400 CPU: 1850.71, 0.00300129/step Wall: 1850.71, 0.00300129/step, 3.65041 hours remaining, 207.687500 MB of memory in use. ENERGY: 621400 763.8965 2073.5552 1935.3483 110.5817 -206575.1637 17924.6583 0.0000 0.0000 34236.1446 -149530.9791 298.9928 -183767.1237 -149430.5307 298.5824 40.8650 72.5273 557022.6111 17.2557 17.1484 PRESSURE: 621600 118.081 -117.654 -46.8115 -117.653 114.229 239.1 -46.8109 239.099 -151.455 GPRESSURE: 621600 171.03 -136.756 -32.6251 -149.615 150 190.162 -58.6367 231.649 -168.582 PRESSAVG: 621600 2.85318 -8.787 34.2092 -8.78698 -36.2008 31.2244 34.2092 31.2243 12.0674 GPRESSAVG: 621600 3.60661 -8.28386 34.2544 -9.76468 -36.1234 30.578 32.5933 31.9656 10.6468 TIMING: 621600 CPU: 1851.31, 0.00299284/step Wall: 1851.31, 0.00299284/step, 3.63996 hours remaining, 207.687500 MB of memory in use. ENERGY: 621600 740.4220 2084.2157 1942.2520 100.5744 -206251.1379 17863.3217 0.0000 0.0000 34093.8875 -149426.4646 297.7504 -183520.3521 -149329.4850 298.4591 26.9517 50.8160 558212.2292 -7.0934 -7.2900 PRESSURE: 621800 -224.375 1.03743 0.128527 1.03751 147.984 58.1124 0.127615 58.1139 -60.5944 GPRESSURE: 621800 -196.608 -30.9474 33.7498 -40.6321 165.59 31.5397 -24.6529 134.063 -16.5934 PRESSAVG: 621800 -6.30305 2.62608 29.8301 2.6261 -30.4349 37.4402 29.8301 37.4401 22.6285 GPRESSAVG: 621800 -8.14858 3.76398 31.697 2.4162 -31.0947 37.0989 28.3542 37.6441 24.5868 TIMING: 621800 CPU: 1851.91, 0.0029844/step Wall: 1851.91, 0.0029844/step, 3.62953 hours remaining, 207.687500 MB of memory in use. ENERGY: 621800 758.6672 2129.8913 1941.8442 117.1165 -206512.4786 17961.4993 0.0000 0.0000 34238.8431 -149364.6169 299.0163 -183603.4600 -149268.7423 298.1561 -45.6619 -15.8705 556113.1187 -4.7031 -4.8855 PRESSURE: 622000 -426.367 -44.9649 -76.3545 -44.9661 -326.866 -37.2364 -76.3537 -37.2369 -68.7345 GPRESSURE: 622000 -387.808 -55.9782 -52.6487 -25.0107 -261.115 -103.007 -78.4943 -19.4937 -70.2861 PRESSAVG: 622000 -8.5389 -77.7251 11.4332 -77.7251 0.609352 -9.90671 11.4331 -9.90673 34.3716 GPRESSAVG: 622000 -7.68731 -77.1254 9.94674 -77.8597 0.663 -9.61254 13.9044 -10.7676 33.326 TIMING: 622000 CPU: 1852.52, 0.00305212/step Wall: 1852.52, 0.00305212/step, 3.71172 hours remaining, 207.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 622000 751.7645 2050.7273 1926.7731 123.1526 -206019.8397 17419.0106 0.0000 0.0000 34386.3341 -149362.0775 300.3044 -183748.4116 -149256.0347 299.2486 -273.9893 -239.7365 558489.5630 8.8140 8.7672 PRESSURE: 622200 -110.276 -3.99433 18.2314 -3.99347 135.601 31.1361 18.2331 31.1375 10.397 GPRESSURE: 622200 -10.8986 -53.9471 16.3606 45.0371 140.571 21.3048 47.192 -17.7153 0.323594 PRESSAVG: 622200 12.6276 -65.6532 -2.35746 -65.6532 5.8302 8.5719 -2.35753 8.57191 1.25249 GPRESSAVG: 622200 11.7879 -67.1784 -2.89939 -66.0115 6.96894 8.55636 -3.07207 8.64223 1.84435 TIMING: 622200 CPU: 1853.13, 0.00303194/step Wall: 1853.13, 0.00303194/step, 3.68701 hours remaining, 207.757812 MB of memory in use. ENERGY: 622200 719.6507 2119.9107 1939.7270 107.3000 -206384.3796 17834.3140 0.0000 0.0000 34045.7358 -149617.7414 297.3299 -183663.4772 -149516.8148 298.6077 11.9075 43.3322 556848.9911 6.5701 6.8671 PRESSURE: 622400 -82.9369 62.8177 -62.2392 62.8174 -203.22 -144.769 -62.2387 -144.767 -43.4234 GPRESSURE: 622400 -96.189 62.2931 -47.6603 28.4108 -125.138 -151.725 -25.847 -59.869 -15.2756 PRESSAVG: 622400 -5.3292 8.70607 6.03253 8.70614 24.4095 -9.66831 6.03246 -9.66833 -36.5163 GPRESSAVG: 622400 -4.14388 10.3281 6.75114 8.13635 23.3757 -9.75846 4.74102 -9.45605 -36.5673 TIMING: 622400 CPU: 1853.73, 0.0030229/step Wall: 1853.73, 0.0030229/step, 3.67585 hours remaining, 207.757812 MB of memory in use. ENERGY: 622400 765.3279 2126.6549 1912.3368 123.0800 -206427.5535 17702.8212 0.0000 0.0000 34105.2785 -149692.0542 297.8499 -183797.3327 -149592.4075 298.2204 -109.8600 -78.8675 557877.4057 -5.8120 -5.7785 PRESSURE: 622600 114.942 -99.4617 -71.7925 -99.462 117.818 6.29086 -71.7929 6.2902 25.9124 GPRESSURE: 622600 122.132 -113.588 -43.8372 -72.5791 145.968 19.11 -124.308 56.8284 76.1203 PRESSAVG: 622600 13.3396 -7.19932 35.6237 -7.19939 -44.3303 10.9755 35.6236 10.9755 60.2147 GPRESSAVG: 622600 13.1831 -7.18723 35.3483 -8.88246 -44.9558 9.40087 36.3936 11.9758 60.1812 TIMING: 622600 CPU: 1854.33, 0.00301118/step Wall: 1854.33, 0.00301118/step, 3.66142 hours remaining, 207.757812 MB of memory in use. ENERGY: 622600 691.8340 2050.1290 1942.2143 125.5938 -206578.4608 17994.6733 0.0000 0.0000 34217.0893 -149556.9271 298.8264 -183774.0164 -149459.7757 298.2758 86.2239 114.7399 557032.5717 9.7413 9.4695 PRESSURE: 622800 75.686 -200.816 42.0253 -200.815 82.5914 -12.2813 42.0251 -12.2811 -298.375 GPRESSURE: 622800 147.005 -111.006 42.9553 -153.718 19.5114 -14.4514 118.447 -80.2659 -201.107 PRESSAVG: 622800 65.66 -20.4898 -10.2198 -20.4898 -45.3578 -6.44569 -10.2198 -6.44576 -42.8792 GPRESSAVG: 622800 66.2496 -21.8359 -9.50122 -18.8783 -44.5633 -3.38988 -10.4245 -8.70876 -44.4635 TIMING: 622800 CPU: 1854.93, 0.00297302/step Wall: 1854.93, 0.00297302/step, 3.61486 hours remaining, 207.757812 MB of memory in use. ENERGY: 622800 752.6876 2099.1076 1949.6490 115.4843 -206335.2791 17709.2098 0.0000 0.0000 34105.8286 -149603.3121 297.8547 -183709.1407 -149510.9190 297.8571 -46.6993 -11.5302 556822.2218 -7.5257 -7.5924 PRESSURE: 623000 88.4064 90.6536 -29.1907 90.6526 22.0804 5.74129 -29.1906 5.74177 155.194 GPRESSURE: 623000 188.41 66.327 -83.0716 87.6763 39.4711 -9.44882 9.80221 54.8523 146.331 PRESSAVG: 623000 97.0761 22.5505 -26.9174 22.5506 -62.9539 -24.4096 -26.9174 -24.4096 -49.8692 GPRESSAVG: 623000 97.2167 22.6353 -28.2851 21.4056 -64.2055 -26.8453 -27.0384 -25.0758 -49.2192 TIMING: 623000 CPU: 1855.52, 0.00294784/step Wall: 1855.52, 0.00294784/step, 3.58408 hours remaining, 207.757812 MB of memory in use. ENERGY: 623000 742.2016 2119.8141 1948.0101 108.9428 -206679.5457 18025.5473 0.0000 0.0000 34053.9943 -149681.0355 297.4020 -183735.0298 -149581.1164 297.8063 88.5602 124.7374 557102.2769 -5.2490 -5.4026 PRESSURE: 623200 -84.9306 91.6071 2.82448 91.6072 111.169 -49.3221 2.82413 -49.3219 75.3004 GPRESSURE: 623200 -27.0324 42.1245 64.2232 95.8416 113.592 30.5808 -6.59806 -99.2452 114.115 PRESSAVG: 623200 68.9143 50.1607 17.6446 50.1607 -8.96535 6.11479 17.6446 6.11481 -13.6289 GPRESSAVG: 623200 67.0069 51.6275 18.1718 49.6309 -7.51724 6.24385 17.996 7.17563 -12.7789 TIMING: 623200 CPU: 1856.11, 0.00295114/step Wall: 1856.11, 0.00295113/step, 3.58792 hours remaining, 207.757812 MB of memory in use. ENERGY: 623200 758.5944 2118.1375 1955.6977 116.9369 -206786.0793 18020.8042 0.0000 0.0000 34001.6076 -149814.3011 296.9445 -183815.9087 -149723.9453 298.3670 33.8462 66.8916 556460.5856 15.4400 15.5703 PRESSURE: 623400 181.623 -167.452 -8.14027 -167.452 58.7929 16.0575 -8.14019 16.0584 -39.7755 GPRESSURE: 623400 180.055 -138.978 17.0818 -220.134 138.788 -75.5562 -34.2113 96.815 -15.8332 PRESSAVG: 623400 47.7994 39.7273 36.91 39.7274 -6.96855 -43.2055 36.91 -43.2055 -49.5708 GPRESSAVG: 623400 48.8591 39.8393 36.8689 39.523 -7.96659 -44.158 37.8989 -40.9102 -49.671 TIMING: 623400 CPU: 1856.7, 0.00296206/step Wall: 1856.7, 0.00296206/step, 3.60104 hours remaining, 207.757812 MB of memory in use. ENERGY: 623400 725.1019 2114.0601 1944.3963 130.0935 -206424.4967 17738.6803 0.0000 0.0000 34073.1042 -149699.0604 297.5689 -183772.1646 -149603.7117 297.4717 66.8802 101.0030 556102.3754 -2.9133 -2.9262 PRESSURE: 623600 113.286 89.7166 129.721 89.7172 296.541 38.5349 129.721 38.5337 -45.5258 GPRESSURE: 623600 163.467 7.25719 152.328 131.251 310.614 20.4872 147.492 -8.60103 1.37774 PRESSAVG: 623600 12.1215 -42.2575 37.4693 -42.2574 -4.86975 -18.6751 37.4693 -18.6751 -2.7256 GPRESSAVG: 623600 10.8732 -42.2724 38.5856 -42.0106 -4.02406 -17.5822 37.7523 -20.0335 -2.57053 TIMING: 623600 CPU: 1857.3, 0.00297875/step Wall: 1857.3, 0.00297875/step, 3.62117 hours remaining, 207.757812 MB of memory in use. ENERGY: 623600 709.6635 2078.4153 1939.5316 122.7604 -206572.2502 17983.9278 0.0000 0.0000 34148.1156 -149589.8359 298.2240 -183737.9515 -149495.5640 297.9076 121.4338 158.4864 557071.5390 1.5087 1.4262 PRESSURE: 623800 -214.03 -46.0735 -33.0547 -46.0735 190.985 -117.545 -33.0552 -117.544 -234.737 GPRESSURE: 623800 -177.866 -48.6894 -65.6655 -23.5351 158.681 -79.9941 -42.019 -130.16 -138.17 PRESSAVG: 623800 17.2335 22.0237 13.808 22.0237 13.0375 12.9538 13.8079 12.9538 -31.41 GPRESSAVG: 623800 17.9293 20.228 14.1109 23.4525 12.3739 12.7714 11.2113 11.0666 -31.0716 TIMING: 623800 CPU: 1857.89, 0.00295882/step Wall: 1857.89, 0.00295882/step, 3.59678 hours remaining, 207.757812 MB of memory in use. ENERGY: 623800 743.4430 2137.5610 1934.4822 109.3048 -206396.7912 17792.5871 0.0000 0.0000 34086.8885 -149592.5246 297.6893 -183679.4130 -149490.5817 298.2249 -85.9272 -52.4513 557315.9193 -0.3796 -0.2561 PRESSURE: 624000 246.19 -73.7631 31.7354 -73.7624 28.1262 219.094 31.7354 219.094 -38.1582 GPRESSURE: 624000 316.244 -112.936 -72.2033 4.22773 33.5733 193.855 55.8341 268.803 -23.2998 PRESSAVG: 624000 -27.5962 -18.6244 -16.807 -18.6244 68.1316 11.6156 -16.8069 11.6157 -35.2871 GPRESSAVG: 624000 -28.9043 -19.0191 -19.6754 -17.5228 69.7001 12.7509 -15.6382 12.6027 -36.0647 TIMING: 624000 CPU: 1858.48, 0.00295658/step Wall: 1858.48, 0.00295658/step, 3.59388 hours remaining, 207.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 624000 731.0663 2099.4741 1943.7679 113.2004 -206567.6759 17990.9507 0.0000 0.0000 34250.0610 -149439.1556 299.1143 -183689.2166 -149336.9485 298.0581 78.7192 108.8392 555311.0387 1.7494 1.5770 PRESSURE: 624200 201.848 -44.4489 -16.1731 -44.4493 -2.64203 10.0685 -16.1731 10.0685 112.519 GPRESSURE: 624200 298.491 -95.3524 -18.0669 -115.467 57.6385 41.2214 30.4927 -3.6512 57.5509 PRESSAVG: 624200 59.0153 12.8788 57.3059 12.8788 -12.4689 15.9758 57.3059 15.9758 -15.6914 GPRESSAVG: 624200 59.3321 15.975 57.2545 10.3529 -13.0363 14.3956 60.461 16.1429 -15.6483 TIMING: 624200 CPU: 1859.07, 0.00296918/step Wall: 1859.07, 0.00296918/step, 3.60904 hours remaining, 207.757812 MB of memory in use. ENERGY: 624200 750.1621 2150.1439 1937.3728 110.8360 -206648.4344 18192.7274 0.0000 0.0000 34111.8032 -149395.3890 297.9069 -183507.1923 -149302.3061 299.2139 103.9083 137.8936 557025.6847 10.2850 10.2158 LDB: ============= START OF LOAD BALANCING ============== 1862.62 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1862.62 LDB: =============== DONE WITH MIGRATION ================ 1862.62 LDB: ============= START OF LOAD BALANCING ============== 1862.92 LDB: Largest compute 4773 load 0.027602 is 23.4% of average load 0.118030 LDB: Average compute 0.001734 is 1.5% of average load 0.118030 LDB: TIME 1862.92 LOAD: AVG 0.11803 MAX 0.202445 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.855 MB LDB: TIME 1862.92 LOAD: AVG 0.11803 MAX 0.202445 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.855 MB LDB: TIME 1862.92 LOAD: AVG 0.11803 MAX 0.202445 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.855 MB LDB: ============== END OF LOAD BALANCING =============== 1862.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1862.93 PRESSURE: 624400 -175.198 115.237 104.198 115.236 -200.546 -87.8027 104.199 -87.804 -8.42512 GPRESSURE: 624400 -145.202 116.825 14.6868 77.8606 -190.387 -164.719 122.432 -94.5124 40.7057 PRESSAVG: 624400 41.0662 9.71607 47.6429 9.71612 -15.4541 -92.5882 47.643 -92.5882 -5.31784 GPRESSAVG: 624400 41.0855 8.51474 48.3081 10.1069 -16.4407 -92.7944 47.3699 -91.5424 -4.63509 TIMING: 624400 CPU: 1859.68, 0.00303077/step Wall: 1859.68, 0.00303077/step, 3.68373 hours remaining, 206.546875 MB of memory in use. ENERGY: 624400 752.5732 2130.5023 1956.2797 127.9284 -206398.7168 17721.0475 0.0000 0.0000 34212.6437 -149497.7420 298.7875 -183710.3857 -149403.0309 298.7470 -128.0565 -98.2945 557162.3713 6.7647 6.6699 PRESSURE: 624600 191.74 -36.8982 64.8633 -36.898 95.5363 109.406 64.8624 109.407 56.0413 GPRESSURE: 624600 209.182 -105.455 100.22 -22.7313 99.0583 117.255 36.1923 75.6315 125.716 PRESSAVG: 624600 -11.5562 -15.8018 61.7892 -15.8018 -21.9732 2.18039 61.7892 2.18027 29.9591 GPRESSAVG: 624600 -11.3669 -14.651 61.7381 -17.5412 -21.4041 3.63981 59.5931 0.286371 29.5201 TIMING: 624600 CPU: 1860.27, 0.00296395/step Wall: 1860.27, 0.00296395/step, 3.60235 hours remaining, 206.546875 MB of memory in use. ENERGY: 624600 752.3122 2140.6207 1930.0041 114.3603 -206806.2492 18104.2056 0.0000 0.0000 34354.0517 -149410.6946 300.0225 -183764.7463 -149322.6829 299.1385 114.4391 144.6522 556338.1139 -1.1901 -1.0836 PRESSURE: 624800 -74.3293 -62.5474 85.0626 -62.5476 115.03 107.052 85.0628 107.053 32.6611 GPRESSURE: 624800 -7.74527 -82.1456 127.074 -85.738 123.646 142.664 88.5047 149.219 59.141 PRESSAVG: 624800 -0.738519 -9.94643 40.4745 -9.94642 19.931 -8.51055 40.4744 -8.51059 -6.90027 GPRESSAVG: 624800 -0.0299362 -11.8094 40.1788 -7.34116 19.3911 -8.51226 42.158 -7.41259 -7.434 TIMING: 624800 CPU: 1860.86, 0.00296536/step Wall: 1860.86, 0.00296536/step, 3.6039 hours remaining, 206.546875 MB of memory in use. ENERGY: 624800 760.5892 2145.3818 1929.7916 118.5614 -206486.4953 17897.6717 0.0000 0.0000 34287.6495 -149346.8500 299.4426 -183634.4996 -149254.0021 299.2640 24.4540 58.3472 557622.9325 4.0974 3.9757 PRESSURE: 625000 193.13 -25.6474 -107.029 -25.6467 160.526 -93.921 -107.03 -93.9216 47.7596 GPRESSURE: 625000 244.14 6.26885 -115.612 1.33484 128.197 -165.545 -76.5302 -89.7109 119.93 PRESSAVG: 625000 0.0603932 5.85234 -8.50904 5.85229 37.5578 -29.8555 -8.50901 -29.8556 -59.3568 GPRESSAVG: 625000 0.392649 6.02778 -7.79754 7.5539 37.841 -31.0627 -9.3864 -30.6754 -59.2724 TIMING: 625000 CPU: 1861.46, 0.00295431/step Wall: 1861.46, 0.00295431/step, 3.59031 hours remaining, 206.546875 MB of memory in use. ENERGY: 625000 726.8287 2102.5393 1948.7059 114.5668 -206907.4838 18190.5789 0.0000 0.0000 34424.4365 -149399.8278 300.6372 -183824.2643 -149304.6559 298.8491 133.8052 164.0889 557570.6927 -7.2462 -7.0129 PRESSURE: 625200 202.514 -103.413 110.869 -103.413 -33.7784 -102.516 110.871 -102.513 -99.6016 GPRESSURE: 625200 241.16 -133.989 192.817 -164.066 -16.9667 -121.42 37.7477 -147.485 -63.6204 PRESSAVG: 625200 40.8602 15.2034 1.42781 15.2034 27.3419 -54.7126 1.42788 -54.7125 -68.7326 GPRESSAVG: 625200 39.8992 15.0244 0.503238 13.2414 27.0473 -53.3861 1.54989 -54.0074 -67.5388 TIMING: 625200 CPU: 1862.05, 0.00296854/step Wall: 1862.05, 0.00296854/step, 3.60743 hours remaining, 206.546875 MB of memory in use. ENERGY: 625200 766.5326 2102.1991 1947.1326 113.2882 -206879.8310 18105.1960 0.0000 0.0000 34328.2629 -149517.2195 299.7973 -183845.4825 -149421.5404 299.2103 23.0448 53.5243 556691.4716 -0.1768 -0.1974 PRESSURE: 625400 -50.4704 -118.163 -122.92 -118.163 -4.98148 24.2508 -122.92 24.2499 -152.595 GPRESSURE: 625400 -73.1629 -89.9428 -106.454 -135.843 -29.8539 -24.0908 -127.221 21.1925 -20.2391 PRESSAVG: 625400 26.675 -44.2839 10.6298 -44.2839 56.3965 -22.5374 10.6299 -22.5374 -50.9409 GPRESSAVG: 625400 27.7445 -44.1293 11.7643 -43.1296 56.3372 -25.6607 10.165 -22.4473 -52.0855 TIMING: 625400 CPU: 1862.64, 0.00295362/step Wall: 1862.64, 0.00295362/step, 3.58915 hours remaining, 206.546875 MB of memory in use. ENERGY: 625400 762.8434 2127.5697 1974.8981 113.3786 -206540.4386 17852.4862 0.0000 0.0000 34302.7925 -149406.4701 299.5748 -183709.2626 -149316.2482 299.0976 -69.3489 -41.0853 556596.0266 10.7102 10.6654 PRESSURE: 625600 62.9261 62.2061 -164.094 62.2051 -152.88 -142.087 -164.093 -142.088 -171.545 GPRESSURE: 625600 95.5113 119.027 -153.67 -31.144 -74.6536 -224.805 -121.655 -43.5442 -168.906 PRESSAVG: 625600 -4.11117 37.2477 -25.7345 37.2478 -2.68337 46.8175 -25.7345 46.8176 5.15225 GPRESSAVG: 625600 -5.4195 35.441 -26.6631 36.1689 -2.48284 49.1666 -24.0484 45.4909 6.31443 TIMING: 625600 CPU: 1863.24, 0.00298897/step Wall: 1863.24, 0.00298897/step, 3.63193 hours remaining, 206.546875 MB of memory in use. ENERGY: 625600 753.7634 2086.5121 1962.5793 108.9313 -206316.8381 17703.3143 0.0000 0.0000 34283.0990 -149418.6387 299.4028 -183701.7376 -149317.0578 299.5600 -87.1663 -49.3494 556398.1606 -0.5474 -0.5293 PRESSURE: 625800 -58.3195 -42.3659 47.148 -42.3674 -114.634 -124.075 47.1488 -124.075 -10.3394 GPRESSURE: 625800 4.06885 -48.2885 -19.2468 -52.4241 -127.29 -107.185 44.8448 -166 38.9612 PRESSAVG: 625800 49.1006 25.2768 24.1451 25.2768 -2.63308 -10.2314 24.1451 -10.2314 -43.807 GPRESSAVG: 625800 50.1478 26.0524 23.7621 24.3662 -4.022 -8.40083 24.9914 -10.1827 -43.7639 TIMING: 625800 CPU: 1863.84, 0.00299066/step Wall: 1863.84, 0.00299066/step, 3.63382 hours remaining, 206.546875 MB of memory in use. ENERGY: 625800 751.7567 2172.8253 1930.6569 100.3079 -206551.2364 17728.2556 0.0000 0.0000 34263.6993 -149603.7348 299.2334 -183867.4341 -149508.1529 298.7500 -61.0977 -28.0868 556251.3781 0.8869 0.7873 PRESSURE: 626000 -273.264 101.054 92.8336 101.055 -28.3313 110.617 92.834 110.617 -86.2595 GPRESSURE: 626000 -244.992 58.8561 100.792 107.11 -11.6425 82.6598 58.1535 111.63 -25.493 PRESSAVG: 626000 -30.4351 10.5398 49.0909 10.5397 55.135 -30.8379 49.091 -30.8378 -10.8224 GPRESSAVG: 626000 -30.641 11.6332 50.7979 10.5861 56.0726 -32.2032 45.3319 -30.216 -11.6291 TIMING: 626000 CPU: 1864.44, 0.00300734/step Wall: 1864.44, 0.00300734/step, 3.65391 hours remaining, 206.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 626000 754.9735 2063.1394 1951.1785 108.7063 -206134.3043 17472.2440 0.0000 0.0000 34138.4825 -149645.5802 298.1399 -183784.0627 -149544.2094 297.4768 -129.2849 -94.0424 555316.4608 4.6258 4.6008 PRESSURE: 626200 -178.229 -72.8165 15.1006 -72.8168 -136.419 212.289 15.1007 212.29 -255.383 GPRESSURE: 626200 -142.517 31.4736 21.808 -193.275 -144.138 198.908 -13.2598 210.958 -191.34 PRESSAVG: 626200 -40.9581 15.5702 47.8979 15.5703 16.0712 1.28457 47.8979 1.28474 22.625 GPRESSAVG: 626200 -41.5237 16.2605 46.4058 14.955 16.4177 1.01722 50.111 -0.92336 22.0067 TIMING: 626200 CPU: 1865.03, 0.00298525/step Wall: 1865.03, 0.00298525/step, 3.62691 hours remaining, 206.546875 MB of memory in use. ENERGY: 626200 786.7548 2069.4765 1926.7537 108.9855 -206423.0720 17608.2481 0.0000 0.0000 34099.1195 -149823.7340 297.7961 -183922.8534 -149728.5011 297.9550 -190.0101 -159.3320 555369.1592 -0.7540 -1.0331 PRESSURE: 626400 216.71 -115.978 -193.85 -115.977 -154.319 -31.7086 -193.851 -31.7071 46.0426 GPRESSURE: 626400 243.813 -8.65463 -168.107 -143.661 -90.1818 14.7973 -290.877 -14.8613 47.4619 PRESSAVG: 626400 44.3603 -50.9113 24.6024 -50.9113 -47.6818 11.7021 24.6022 11.7021 -2.09361 GPRESSAVG: 626400 44.4598 -54.0296 26.222 -48.6177 -47.1085 11.0832 24.1457 13.1038 -2.59611 TIMING: 626400 CPU: 1865.63, 0.00299376/step Wall: 1865.63, 0.00299376/step, 3.63708 hours remaining, 206.546875 MB of memory in use. ENERGY: 626400 723.7167 2092.2718 1951.7927 96.5180 -206776.1418 17894.0200 0.0000 0.0000 33988.5047 -150029.3179 296.8301 -184017.8226 -149929.1836 297.6100 36.1447 67.0311 557221.3959 -1.8050 -1.7483 PRESSURE: 626600 155.014 -89.1792 2.95788 -89.1787 30.9361 113.716 2.95773 113.716 -54.1661 GPRESSURE: 626600 156.418 -120.537 -21.7142 -71.6262 79.8701 176.608 -27.394 43.642 -6.23999 PRESSAVG: 626600 24.6019 6.34403 -47.1703 6.34404 -2.33383 5.07747 -47.1704 5.07754 35.3078 GPRESSAVG: 626600 24.0522 10.1916 -48.15 3.68942 -1.08598 5.60324 -48.4437 4.81533 34.401 TIMING: 626600 CPU: 1866.23, 0.00297835/step Wall: 1866.23, 0.00297835/step, 3.61819 hours remaining, 206.546875 MB of memory in use. ENERGY: 626600 766.8445 2158.4934 1923.3015 110.3910 -207034.1167 18108.5875 0.0000 0.0000 34088.6841 -149877.8148 297.7050 -183966.4989 -149784.9696 297.3216 43.9280 76.6829 555090.0050 19.1920 19.1224 PRESSURE: 626800 -352.181 189.905 -70.823 189.906 -78.9962 33.8712 -70.8222 33.8717 -103.569 GPRESSURE: 626800 -312.399 231.968 -130.645 94.8606 -67.4494 47.2066 -34.9916 85.6811 -64.281 PRESSAVG: 626800 -48.4726 -11.9832 -26.7576 -11.9832 35.2182 -14.0264 -26.7576 -14.0264 -3.37211 GPRESSAVG: 626800 -47.4596 -10.8818 -28.3558 -11.9027 33.7566 -13.168 -26.0223 -14.8801 -2.48368 TIMING: 626800 CPU: 1866.82, 0.00297521/step Wall: 1866.82, 0.00297521/step, 3.61422 hours remaining, 206.546875 MB of memory in use. ENERGY: 626800 775.1206 2094.6839 1943.8828 105.3782 -206302.1050 17519.5983 0.0000 0.0000 34204.9998 -149658.4414 298.7208 -183863.4412 -149554.2898 298.0315 -178.2487 -148.0430 556706.3646 -5.5422 -5.3956 PRESSURE: 627000 -18.0649 203.661 -17.4201 203.662 9.15621 7.65745 -17.421 7.65606 -30.1901 GPRESSURE: 627000 27.8384 197.358 -13.4878 156.424 -2.81181 -8.0063 -66.9077 8.37721 28.2175 PRESSAVG: 627000 -36.6166 12.8517 -14.4648 12.8517 58.1669 8.43689 -14.4648 8.43693 4.27421 GPRESSAVG: 627000 -36.8141 10.5988 -14.6829 15.068 58.0129 6.30411 -14.5257 10.0357 5.1084 TIMING: 627000 CPU: 1867.42, 0.00296751/step Wall: 1867.42, 0.00296751/step, 3.6047 hours remaining, 206.546875 MB of memory in use. ENERGY: 627000 761.7824 2184.0829 1920.7113 109.6690 -206504.3345 17832.0595 0.0000 0.0000 34378.5301 -149317.4993 300.2363 -183696.0294 -149221.8962 299.1322 -13.0329 17.7480 556954.1176 8.6082 8.7690 PRESSURE: 627200 -277.795 69.1638 -2.98408 69.164 -271.327 -51.6353 -2.98422 -51.6353 -401.599 GPRESSURE: 627200 -246.676 90.027 -16.6191 47.7855 -216.75 -81.4564 3.62668 16.767 -384.305 PRESSAVG: 627200 35.5709 14.0833 -20.9234 14.0834 11.1448 2.54078 -20.9233 2.54084 -32.909 GPRESSAVG: 627200 36.0449 14.7537 -19.4354 13.6331 12.3567 2.75081 -19.9922 1.5539 -34.3584 TIMING: 627200 CPU: 1868.01, 0.00295728/step Wall: 1868.01, 0.00295728/step, 3.59211 hours remaining, 206.546875 MB of memory in use. ENERGY: 627200 783.3436 2147.0173 1965.0309 129.9745 -205873.8128 17373.4971 0.0000 0.0000 34166.6176 -149308.3317 298.3856 -183474.9493 -149205.9590 300.3537 -316.9070 -282.5772 558470.5069 4.6023 4.6811 PRESSURE: 627400 -364.34 -40.3001 35.1092 -40.3002 -284.88 -98.0148 35.1095 -98.016 -267.725 GPRESSURE: 627400 -406.894 -66.5549 1.35155 -17.8187 -276.366 -44.985 61.9644 -70.233 -138.302 PRESSAVG: 627400 -30.3378 36.7928 -3.41615 36.7928 -75.6951 -20.7971 -3.41623 -20.797 31.1608 GPRESSAVG: 627400 -31.5693 36.1445 -1.96761 36.0009 -75.1819 -19.4108 -3.96564 -20.9668 31.8467 TIMING: 627400 CPU: 1868.6, 0.00293695/step Wall: 1868.6, 0.00293695/step, 3.56725 hours remaining, 206.546875 MB of memory in use. ENERGY: 627400 772.6782 2094.2384 1940.2851 119.5645 -205873.3908 17342.4919 0.0000 0.0000 34373.7296 -149230.4032 300.1943 -183604.1328 -149138.2734 299.7312 -305.6484 -273.8538 556337.0733 -24.9574 -24.9682 PRESSURE: 627600 -170.612 -68.6533 -93.2221 -68.6532 -68.8202 -17.0261 -93.2221 -17.0262 198.684 GPRESSURE: 627600 -81.0621 -97.6537 -96.7774 -65.5897 -5.93066 20.2426 -116.578 -111.752 144.155 PRESSAVG: 627600 9.34903 -0.993599 -79.9136 -0.993663 -12.9815 6.78025 -79.9135 6.7803 16.8333 GPRESSAVG: 627600 9.67117 0.752733 -81.2565 -1.38595 -13.2818 7.54462 -78.9004 6.96472 16.7124 TIMING: 627600 CPU: 1869.19, 0.00299062/step Wall: 1869.19, 0.00299062/step, 3.63228 hours remaining, 206.546875 MB of memory in use. ENERGY: 627600 762.4250 2093.2515 1949.4585 111.3845 -206204.1731 17728.4425 0.0000 0.0000 34346.6568 -149212.5544 299.9579 -183559.2112 -149110.1420 299.6304 -13.5829 19.0540 557484.2859 4.4003 4.3673 PRESSURE: 627800 -149.78 -32.293 -20.1201 -32.294 150.804 -0.765121 -20.121 -0.763931 -255.328 GPRESSURE: 627800 -115.35 8.53796 -15.3201 -70.4766 193.709 -143.115 -7.10314 22.3577 -223.814 PRESSAVG: 627800 -54.0301 23.0051 -47.3489 23.005 2.21805 7.37184 -47.3488 7.3719 27.2884 GPRESSAVG: 627800 -52.9471 19.2847 -48.7756 23.9467 1.91209 7.4196 -48.2818 7.9138 26.8298 TIMING: 627800 CPU: 1869.79, 0.00295718/step Wall: 1869.79, 0.00295718/step, 3.5915 hours remaining, 206.546875 MB of memory in use. ENERGY: 627800 728.3066 2183.3814 1958.9780 96.7299 -206308.5282 17890.2595 0.0000 0.0000 34235.9169 -149214.9559 298.9908 -183450.8728 -149117.8407 299.9570 -84.7678 -48.4851 557790.2261 -8.1746 -8.0684 PRESSURE: 628000 -128.745 0.942242 -49.3568 0.941867 -64.377 -105.096 -49.3581 -105.096 -38.4804 GPRESSURE: 628000 -62.8472 -10.5889 -65.9416 7.65305 16.9863 -160.263 -40.7515 -60.535 -90.1155 PRESSAVG: 628000 34.6457 12.7564 -2.62561 12.7564 -4.62118 -79.4073 -2.62559 -79.4073 -0.932123 GPRESSAVG: 628000 34.4246 13.7459 -0.0591414 12.7118 -5.14472 -78.2002 -3.20037 -80.907 -1.12953 TIMING: 628000 CPU: 1870.38, 0.00296262/step Wall: 1870.38, 0.00296262/step, 3.59794 hours remaining, 206.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 628000 761.2983 2083.9442 1938.8109 106.8983 -205773.7392 17577.4117 0.0000 0.0000 34245.7535 -149059.6224 299.0767 -183305.3759 -148959.6073 300.1924 -77.2008 -45.3255 557143.9387 9.6975 9.3835 PRESSURE: 628200 -250.758 86.5996 -18.0039 86.6006 -160.174 -35.102 -18.0044 -35.1021 30.3034 GPRESSURE: 628200 -202.706 12.9172 -11.114 76.6421 -163.31 52.8191 -85.3248 -19.939 83.2833 PRESSAVG: 628200 38.3835 24.7469 -13.0238 24.7469 -73.6464 22.1159 -13.0239 22.116 46.8558 GPRESSAVG: 628200 37.3804 25.45 -14.1193 24.2536 -73.5209 20.4505 -13.6457 21.4709 47.8118 TIMING: 628200 CPU: 1870.97, 0.00296214/step Wall: 1870.97, 0.00296214/step, 3.5972 hours remaining, 206.546875 MB of memory in use. ENERGY: 628200 751.8430 2103.3871 1933.8506 119.5076 -205852.5439 17495.4386 0.0000 0.0000 34205.1756 -149243.3413 298.7223 -183448.5170 -149156.1861 299.5513 -126.8760 -94.2443 558398.0044 3.8643 3.8904 LDB: ============= START OF LOAD BALANCING ============== 1874.52 LDB: ============== END OF LOAD BALANCING =============== 1874.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1874.52 LDB: ============= START OF LOAD BALANCING ============== 1874.82 LDB: Largest compute 4773 load 0.027207 is 23.0% of average load 0.118042 LDB: Average compute 0.001738 is 1.5% of average load 0.118042 LDB: TIME 1874.82 LOAD: AVG 0.118042 MAX 0.202296 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.547 MB LDB: TIME 1874.82 LOAD: AVG 0.118042 MAX 0.202296 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.551 MB LDB: TIME 1874.82 LOAD: AVG 0.118042 MAX 0.202296 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.551 MB LDB: ============== END OF LOAD BALANCING =============== 1874.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1874.82 PRESSURE: 628400 -82.0091 -202.744 -57.0842 -202.746 -182.09 45.8504 -57.0843 45.8508 528.252 GPRESSURE: 628400 -24.6987 -215.567 -3.69244 -194.713 -93.4069 78.8392 -61.7925 50.9573 484.035 PRESSAVG: 628400 -51.4936 -14.108 -22.2181 -14.108 -61.5793 4.68398 -22.218 4.68391 104.736 GPRESSAVG: 628400 -50.5378 -12.9613 -22.8955 -11.7151 -61.9823 4.50573 -20.071 5.84055 103.681 TIMING: 628400 CPU: 1871.57, 0.00301825/step Wall: 1871.57, 0.00301825/step, 3.66516 hours remaining, 207.058594 MB of memory in use. ENERGY: 628400 761.9048 2120.9179 1926.5291 123.1262 -206515.8191 18005.7173 0.0000 0.0000 34404.0360 -149173.5878 300.4590 -183577.6238 -149079.6243 299.1519 88.0510 121.9765 557061.5992 -2.7791 -2.9465 PRESSURE: 628600 -24.0862 46.1703 57.1087 46.1698 -261.366 45.2815 57.1079 45.2796 -187.821 GPRESSURE: 628600 -53.4991 103.785 -33.2224 72.8887 -232.734 78.8448 56.0503 50.1451 -91.071 PRESSAVG: 628600 -11.9549 -0.974616 19.2847 -0.974695 -28.6281 29.4834 19.2847 29.4833 19.5952 GPRESSAVG: 628600 -13.2242 0.255714 17.9507 -2.2635 -26.9892 30.574 20.629 28.9828 19.5958 TIMING: 628600 CPU: 1872.17, 0.00295645/step Wall: 1872.17, 0.00295645/step, 3.58996 hours remaining, 207.058594 MB of memory in use. ENERGY: 628600 743.9170 2110.4531 1948.5091 111.8106 -205958.0788 17638.5533 0.0000 0.0000 34346.2465 -149058.5892 299.9543 -183404.8357 -148965.6108 299.9737 -157.7578 -125.7680 558234.6300 -6.9959 -6.8725 PRESSURE: 628800 -87.7477 -148.846 107.604 -148.847 -95.7435 -55.3979 107.604 -55.3999 -249.827 GPRESSURE: 628800 -24.2746 -110.356 90.932 -139.929 -127.068 -125.941 176.086 -85.4565 -180.52 PRESSAVG: 628800 36.8139 3.50354 50.5798 3.50352 12.8658 -40.0305 50.5798 -40.0303 -27.9807 GPRESSAVG: 628800 37.3857 0.985871 53.3463 3.29383 11.7195 -39.9696 47.6771 -39.9928 -27.5608 TIMING: 628800 CPU: 1872.76, 0.00296016/step Wall: 1872.76, 0.00296016/step, 3.59429 hours remaining, 207.058594 MB of memory in use. ENERGY: 628800 753.8537 2144.6367 1942.0437 115.3375 -205739.0447 17667.8064 0.0000 0.0000 34191.2571 -148924.1096 298.6008 -183115.3666 -148836.0370 299.8354 -144.4393 -110.6207 560240.7194 7.2330 7.1815 PRESSURE: 629000 -150.931 -57.8886 -147.917 -57.889 97.834 48.0982 -147.917 48.0979 -208.363 GPRESSURE: 629000 -138.539 -126.075 -45.3183 -83.4059 73.9603 50.6447 -167.817 23.7123 -104.962 PRESSAVG: 629000 -2.52712 -50.4416 29.1744 -50.4416 17.2354 -21.4855 29.1745 -21.4855 27.2059 GPRESSAVG: 629000 -2.92574 -50.0506 26.9596 -50.7353 17.8792 -23.3129 30.277 -19.7196 27.0528 TIMING: 629000 CPU: 1873.35, 0.00296266/step Wall: 1873.35, 0.00296266/step, 3.59716 hours remaining, 207.058594 MB of memory in use. ENERGY: 629000 744.9072 2056.7498 1959.9675 107.4531 -205916.7696 17739.4605 0.0000 0.0000 34370.2976 -148937.9339 300.1644 -183308.2315 -148833.2160 299.8859 -87.1531 -56.5136 559457.1263 13.9714 14.0021 PRESSURE: 629200 -383.957 -134.409 -13.8477 -134.41 -201.874 2.79014 -13.8465 2.7903 -138.736 GPRESSURE: 629200 -355.201 -92.3723 56.3588 -156.143 -179.672 30.7184 -47.1253 -29.0966 -91.5191 PRESSAVG: 629200 -79.5714 -14.5561 -3.27687 -14.556 26.1038 -8.50095 -3.277 -8.50084 38.3583 GPRESSAVG: 629200 -78.3287 -14.4051 -1.52891 -13.9234 25.0426 -6.97914 -3.56473 -10.2754 38.5687 TIMING: 629200 CPU: 1873.94, 0.00293542/step Wall: 1873.94, 0.00293542/step, 3.56393 hours remaining, 207.058594 MB of memory in use. ENERGY: 629200 724.2010 2120.4700 1917.0041 111.2895 -205176.3047 17289.4828 0.0000 0.0000 34101.8402 -148912.0170 297.8199 -183013.8572 -148811.2545 300.1431 -241.5223 -208.7974 559906.6120 -5.0364 -4.9058 PRESSURE: 629400 -18.249 -145.575 55.102 -145.574 -116.095 35.607 55.1028 35.6079 -111.657 GPRESSURE: 629400 -22.5389 -165.825 21.9116 -82.0844 -11.0193 30.7659 91.467 -24.989 -102.481 PRESSAVG: 629400 -2.13684 5.85908 11.7918 5.8591 -44.4317 1.53939 11.7919 1.5395 38.0343 GPRESSAVG: 629400 -2.80084 3.91295 10.6981 8.80069 -43.229 0.727612 13.7307 1.39799 37.5428 TIMING: 629400 CPU: 1874.53, 0.0029419/step Wall: 1874.53, 0.0029419/step, 3.57162 hours remaining, 207.058594 MB of memory in use. ENERGY: 629400 781.0391 2166.7564 1952.2701 119.6233 -205840.6491 17759.8480 0.0000 0.0000 34248.9155 -148812.1967 299.1043 -183061.1121 -148725.7015 299.4335 -82.0004 -45.3465 559590.6901 -2.8447 -2.8290 PRESSURE: 629600 -91.6176 -16.2163 -147.926 -16.2167 43.4459 -14.4545 -147.926 -14.454 -180.55 GPRESSURE: 629600 -63.6395 -21.2099 -156.845 -14.9785 -1.55119 -38.2848 -78.9184 24.3328 -78.8453 PRESSAVG: 629600 -27.0527 -2.07264 22.7194 -2.0725 18.1879 6.95035 22.7193 6.95032 18.9475 GPRESSAVG: 629600 -28.0918 -2.61819 22.9923 -2.65755 17.9189 4.67384 21.3756 7.49276 20.0735 TIMING: 629600 CPU: 1875.11, 0.00293848/step Wall: 1875.11, 0.00293848/step, 3.56731 hours remaining, 207.058594 MB of memory in use. ENERGY: 629600 725.6288 2067.2430 1924.2127 110.0855 -205695.0342 17543.9643 0.0000 0.0000 34378.1858 -148945.7141 300.2332 -183323.8999 -148845.9596 299.4294 -76.2405 -48.0120 559001.8874 3.3609 3.3002 PRESSURE: 629800 -70.0125 60.4203 -39.8426 60.4192 5.73165 109.194 -39.8413 109.195 9.32846 GPRESSURE: 629800 -30.7991 12.0763 -45.4184 41.1621 -2.17002 115.811 -53.7559 37.5975 83.7261 PRESSAVG: 629800 22.887 -16.8632 -30.5295 -16.8632 15.5304 26.3962 -30.5294 26.3961 0.0220351 GPRESSAVG: 629800 23.8493 -14.3495 -32.1469 -19.0769 15.2006 29.306 -31.0188 25.5907 -0.540605 TIMING: 629800 CPU: 1875.7, 0.00296002/step Wall: 1875.7, 0.00296002/step, 3.5933 hours remaining, 207.058594 MB of memory in use. ENERGY: 629800 749.6619 2053.0191 1927.6518 111.4577 -205874.0885 17755.5178 0.0000 0.0000 34298.1463 -148978.6339 299.5342 -183276.7802 -148881.5878 299.6095 -18.3175 16.9190 559330.4960 12.8132 12.8364 PRESSURE: 630000 315.012 4.42683 -163.779 4.42636 181.294 94.1295 -163.779 94.1292 -126.926 GPRESSURE: 630000 336.393 97.96 -106.919 11.8478 150.692 -1.4173 -143.421 58.5108 -31.2353 PRESSAVG: 630000 41.2838 43.4369 -32.6158 43.4369 -16.1294 24.2635 -32.6158 24.2636 -48.7327 GPRESSAVG: 630000 40.0676 44.441 -31.5216 43.5938 -14.72 22.5474 -31.3151 24.2224 -48.9027 TIMING: 630000 CPU: 1876.3, 0.00296463/step Wall: 1876.3, 0.00296463/step, 3.59874 hours remaining, 207.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 630000 747.3860 2132.5662 1935.5273 118.2466 -206304.4885 18063.4033 0.0000 0.0000 34330.7047 -148976.6544 299.8186 -183307.3591 -148889.5833 299.4911 123.1268 151.9499 558614.1428 -7.8594 -7.8517 PRESSURE: 630200 -33.7454 -178.69 -21.8313 -178.69 -41.0021 -66.5696 -21.8317 -66.5705 -116.09 GPRESSURE: 630200 30.5595 -170.704 47.3456 -217.343 -17.6525 -63.0183 -71.7024 -22.3578 -97.7853 PRESSAVG: 630200 25.1003 -21.9391 -43.9367 -21.9391 -55.7446 -47.3286 -43.9368 -47.3286 39.911 GPRESSAVG: 630200 25.787 -22.7415 -45.7816 -22.5357 -56.3126 -45.8317 -44.443 -48.232 39.7987 TIMING: 630200 CPU: 1876.89, 0.00294855/step Wall: 1876.89, 0.00294855/step, 3.57904 hours remaining, 207.058594 MB of memory in use. ENERGY: 630200 765.3680 2075.4265 1949.5342 107.9102 -206052.9142 17790.4868 0.0000 0.0000 34387.8644 -148976.3241 300.3178 -183364.1885 -148869.6515 299.7447 -63.6126 -28.2928 558621.1019 3.0889 3.0910 PRESSURE: 630400 241.175 -133.757 123.198 -133.756 -168.673 -58.4246 123.2 -58.4265 318.017 GPRESSURE: 630400 251.801 -147.686 161.675 -106.895 -122.791 -74.89 129.943 -8.97795 368.747 PRESSAVG: 630400 48.1187 -72.2833 -1.02322 -72.2834 -80.0593 9.25571 -1.02322 9.25576 -1.59004 GPRESSAVG: 630400 48.6163 -73.9377 0.0246484 -69.2785 -80.7986 9.60968 -2.10667 9.44064 -2.23148 TIMING: 630400 CPU: 1877.48, 0.00295506/step Wall: 1877.48, 0.00295506/step, 3.58678 hours remaining, 207.058594 MB of memory in use. ENERGY: 630400 717.6109 2157.5561 1919.5366 117.0264 -205993.7225 17882.3059 0.0000 0.0000 34269.2499 -148930.4368 299.2819 -183199.6867 -148827.4658 299.3823 130.1731 165.9191 558315.2897 -11.1769 -11.4713 PRESSURE: 630600 -146.234 -90.8913 -6.489 -90.8904 -65.9999 50.1332 -6.48872 50.1337 -86.6398 GPRESSURE: 630600 -153.064 -118.724 -40.9683 -28.118 -67.271 29.9796 21.4543 110.536 3.95553 PRESSAVG: 630600 19.8996 -3.4669 6.61242 -3.4669 -38.3597 27.4344 6.61242 27.4344 38.3856 GPRESSAVG: 630600 19.2128 -3.82433 6.55106 -6.01495 -38.5289 25.5654 7.66569 28.6027 38.8906 TIMING: 630600 CPU: 1878.07, 0.00295845/step Wall: 1878.07, 0.00295845/step, 3.59073 hours remaining, 207.058594 MB of memory in use. ENERGY: 630600 783.0569 2077.0490 1959.3567 118.9420 -205894.1069 17676.1271 0.0000 0.0000 34314.3293 -148965.2460 299.6756 -183279.5753 -148876.1593 299.5620 -99.6246 -72.1265 559234.5543 6.6418 6.5248 PRESSURE: 630800 88.5819 56.4455 182.353 56.4456 49.2343 -28.0516 182.355 -28.0521 -175.146 GPRESSURE: 630800 125.999 8.44532 129.591 112.861 97.0173 -35.7528 197.708 -10.4975 -163.686 PRESSAVG: 630800 -28.57 -13.9448 -6.70811 -13.9448 -3.47434 -5.10391 -6.70806 -5.10385 -10.9657 GPRESSAVG: 630800 -27.3242 -12.8192 -6.57405 -11.0477 -4.14655 -4.51815 -8.50119 -6.58819 -11.1571 TIMING: 630800 CPU: 1878.66, 0.00296915/step Wall: 1878.66, 0.00296915/step, 3.60356 hours remaining, 207.058594 MB of memory in use. ENERGY: 630800 703.0427 2155.1870 1913.3779 116.2917 -205896.1531 17634.7035 0.0000 0.0000 34268.2149 -149105.3355 299.2728 -183373.5503 -149010.3311 299.1456 -12.4433 19.7766 557365.6643 -14.3367 -14.2093 PRESSURE: 631000 -293.487 -83.2633 -107.058 -83.2638 -175.244 -63.1429 -107.059 -63.144 -58.2648 GPRESSURE: 631000 -240.637 -78.7947 -116.713 -85.3486 -139.371 -9.42314 -150.303 -61.457 -49.4106 PRESSAVG: 631000 -2.62443 -21.7072 4.39055 -21.7073 29.8318 -35.8406 4.39043 -35.8406 -29.2189 GPRESSAVG: 631000 -3.00874 -23.3706 2.05336 -23.084 29.6087 -34.6174 5.76928 -34.8351 -28.8382 TIMING: 631000 CPU: 1879.25, 0.00293938/step Wall: 1879.25, 0.00293938/step, 3.56726 hours remaining, 207.058594 MB of memory in use. ENERGY: 631000 747.9794 2063.9581 1948.0502 120.3405 -206175.9589 17780.9469 0.0000 0.0000 34419.0387 -149095.6451 300.5900 -183514.6838 -148999.1595 299.4742 -175.6653 -143.1393 557377.1986 -0.6705 -0.7461 PRESSURE: 631200 -103.154 -86.9873 105.2 -86.9871 93.8599 -192.359 105.2 -192.357 -24.1758 GPRESSURE: 631200 -28.6307 -89.9888 126.836 -128.754 92.2539 -104.119 38.3936 -273.275 7.51484 PRESSAVG: 631200 51.05 -58.174 -0.242391 -58.174 -27.0301 21.917 -0.242424 21.9171 -13.7596 GPRESSAVG: 631200 51.5997 -56.6085 1.78183 -60.3682 -26.8607 19.6592 -1.7053 22.7168 -14.7509 TIMING: 631200 CPU: 1879.85, 0.0029971/step Wall: 1879.85, 0.0029971/step, 3.63714 hours remaining, 207.058594 MB of memory in use. ENERGY: 631200 759.7008 2055.9248 1954.1859 127.9101 -206088.7796 17784.0414 0.0000 0.0000 34433.6936 -148973.3231 300.7180 -183407.0168 -148879.8221 299.8764 -11.1568 23.7127 558534.8771 3.4201 3.3294 PRESSURE: 631400 12.0287 107.913 0.538432 107.913 -37.2199 40.5506 0.538412 40.5503 -280.343 GPRESSURE: 631400 23.4188 97.1199 87.8382 105.351 -3.86571 -89.2031 -62.4699 112.21 -229.219 PRESSAVG: 631400 -34.6794 21.3943 -19.9932 21.3943 38.0674 -28.7985 -19.9933 -28.7985 -4.40201 GPRESSAVG: 631400 -36.3069 25.7222 -20.0403 20.9595 38.6496 -28.2532 -19.7259 -30.7043 -3.31307 TIMING: 631400 CPU: 1880.45, 0.00299106/step Wall: 1880.45, 0.00299106/step, 3.62965 hours remaining, 207.058594 MB of memory in use. ENERGY: 631400 735.6180 2079.5651 1945.1309 103.8713 -205760.7683 17683.1168 0.0000 0.0000 34364.3756 -148849.0906 300.1126 -183213.4662 -148742.6254 300.4045 -101.8448 -69.8885 558982.6772 -0.3380 -0.3235 PRESSURE: 631600 -186.436 53.3308 30.8265 53.3298 -216.28 -11.897 30.8258 -11.898 -258.999 GPRESSURE: 631600 -171.042 71.4037 86.5877 20.4151 -235.986 18.9783 -47.7619 -106.131 -173.854 PRESSAVG: 631600 -14.1629 -19.5753 40.2458 -19.5753 -24.7938 -11.0314 40.2458 -11.0314 -7.45181 GPRESSAVG: 631600 -13.5276 -24.4274 41.2266 -16.2187 -25.3725 -11.5603 39.9436 -9.215 -7.47706 TIMING: 631600 CPU: 1881.05, 0.0029888/step Wall: 1881.05, 0.0029888/step, 3.62675 hours remaining, 207.058594 MB of memory in use. ENERGY: 631600 748.6955 2086.0293 1954.9231 120.6047 -205821.4738 17667.2778 0.0000 0.0000 34374.1669 -148869.7766 300.1981 -183243.9435 -148771.6119 300.2266 -220.5715 -193.6275 559022.1849 -15.4695 -15.4590 PRESSURE: 631800 257.068 -69.7598 17.178 -69.7599 142.095 -85.1097 17.1777 -85.1101 118.375 GPRESSURE: 631800 293.357 -81.7095 -43.5064 -81.0332 171.601 -28.7231 1.23397 -111.549 163.894 PRESSAVG: 631800 6.96544 19.2467 12.0385 19.2467 -22.3868 -58.4532 12.0385 -58.4533 -7.06075 GPRESSAVG: 631800 7.37706 20.6561 10.4418 17.4741 -22.573 -55.7868 12.7757 -61.3102 -7.50175 TIMING: 631800 CPU: 1881.64, 0.00296654/step Wall: 1881.64, 0.00296654/step, 3.59957 hours remaining, 207.183594 MB of memory in use. ENERGY: 631800 729.9806 2063.3276 1941.5051 109.4083 -206223.2841 17994.1237 0.0000 0.0000 34517.3403 -148867.5984 301.4485 -183384.9387 -148768.5356 300.4033 172.5125 209.6174 556044.1918 -7.4940 -7.5659 PRESSURE: 632000 -325.973 55.9652 -70.8759 55.9651 -35.4234 -36.631 -70.8762 -36.6317 94.8545 GPRESSURE: 632000 -235.214 154.13 -68.4033 -14.1471 -49.9935 -74.7253 6.98768 -15.759 124.437 PRESSAVG: 632000 33.4 -76.1942 -1.83463 -76.1942 -48.8429 4.95479 -1.8347 4.95474 -28.5389 GPRESSAVG: 632000 32.9666 -77.0578 -1.56682 -75.1393 -48.4538 4.62281 -2.81831 5.67934 -29.2815 TIMING: 632000 CPU: 1882.23, 0.00295785/step Wall: 1882.23, 0.00295785/step, 3.58886 hours remaining, 207.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 632000 757.4983 2134.9955 1958.0502 99.3685 -205993.9417 17563.3929 0.0000 0.0000 34714.1534 -148766.4829 303.1673 -183480.6363 -148673.9487 300.6214 -88.8474 -53.5905 557013.1073 -14.6606 -14.9229 PRESSURE: 632200 -561.99 -74.2449 248.878 -74.2441 -149.9 33.3805 248.877 33.3808 -121.016 GPRESSURE: 632200 -494.638 -42.6248 120.718 -25.7 -136.02 122.346 278.068 -28.8013 -116.735 PRESSAVG: 632200 32.0988 -52.189 -40.5365 -52.1891 14.102 19.2444 -40.5365 19.2444 -34.67 GPRESSAVG: 632200 32.3219 -52.6712 -41.4508 -53.0774 12.7559 19.5238 -39.4487 19.777 -34.3403 TIMING: 632200 CPU: 1882.83, 0.00297215/step Wall: 1882.83, 0.00297215/step, 3.60604 hours remaining, 207.183594 MB of memory in use. ENERGY: 632200 760.5033 2118.7831 1956.9259 105.6212 -205612.1854 17311.8574 0.0000 0.0000 34320.6104 -149037.8841 299.7304 -183358.4945 -148940.5066 300.5740 -277.6351 -249.1312 558338.3370 3.8436 3.5792 LDB: ============= START OF LOAD BALANCING ============== 1886.37 LDB: ============== END OF LOAD BALANCING =============== 1886.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1886.37 LDB: ============= START OF LOAD BALANCING ============== 1886.67 LDB: Largest compute 4774 load 0.029055 is 24.6% of average load 0.118122 LDB: Average compute 0.001731 is 1.5% of average load 0.118122 LDB: TIME 1886.67 LOAD: AVG 0.118122 MAX 0.203875 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.695 MB LDB: TIME 1886.67 LOAD: AVG 0.118122 MAX 0.203875 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.898 MB LDB: TIME 1886.67 LOAD: AVG 0.118122 MAX 0.203875 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.898 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1886.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1886.68 PRESSURE: 632400 -29.1828 77.4587 119.791 77.4599 -217.154 -107.236 119.791 -107.236 263.542 GPRESSURE: 632400 66.6251 60.8804 101.066 9.91113 -180.159 -50.4946 106.604 -126.921 216.848 PRESSAVG: 632400 -1.77126 -25.2142 -21.5411 -25.2142 -16.4672 -84.9823 -21.541 -84.9823 10.4306 GPRESSAVG: 632400 -2.13663 -24.6321 -22.3955 -24.9057 -14.0116 -89.5549 -21.9486 -84.0276 9.26314 TIMING: 632400 CPU: 1883.43, 0.00301761/step Wall: 1883.43, 0.00301761/step, 3.66103 hours remaining, 206.347656 MB of memory in use. ENERGY: 632400 750.4593 2122.6450 1946.9417 113.4044 -205805.3271 17589.6626 0.0000 0.0000 34399.3646 -148882.8494 300.4182 -183282.2140 -148788.4539 299.8888 5.7349 34.4380 559010.1881 -2.6026 -2.2950 PRESSURE: 632600 -36.5756 -2.88762 79.341 -2.88783 -100.446 -4.8132 79.3419 -4.8131 -300.358 GPRESSURE: 632600 -63.4938 27.4297 55.5314 20.67 -27.4791 -12.8915 111.915 2.09985 -251.972 PRESSAVG: 632600 -36.4576 28.4411 -5.05091 28.4411 34.3869 -3.73443 -5.05089 -3.73442 2.844 GPRESSAVG: 632600 -37.5731 28.2266 -2.38184 27.7383 33.9677 -0.0993037 -3.75823 -5.30031 4.11771 TIMING: 632600 CPU: 1884.02, 0.00296251/step Wall: 1884.02, 0.00296251/step, 3.59402 hours remaining, 206.550781 MB of memory in use. ENERGY: 632600 776.3993 2013.1463 1964.0806 110.9472 -205758.9061 17556.5114 0.0000 0.0000 34381.8461 -148955.9752 300.2652 -183337.8213 -148855.4044 300.5639 -145.7935 -114.3150 558702.5248 0.2578 0.1708 PRESSURE: 632800 -282.533 90.2562 6.94345 90.256 -304.024 -90.2845 6.94319 -90.287 44.688 GPRESSURE: 632800 -254.779 72.0648 134.101 98.3371 -193.912 -100.12 -70.603 -216.453 0.292244 PRESSAVG: 632800 -4.36821 68.9395 -28.9951 68.9395 14.8626 -27.3239 -28.9951 -27.3239 -10.0079 GPRESSAVG: 632800 -2.63057 68.7217 -30.0543 68.9595 12.9182 -28.4783 -28.5619 -26.9111 -9.74934 TIMING: 632800 CPU: 1884.62, 0.00296434/step Wall: 1884.62, 0.00296434/step, 3.59607 hours remaining, 206.550781 MB of memory in use. ENERGY: 632800 746.9386 2143.1845 1938.5242 117.1141 -205734.8856 17378.2257 0.0000 0.0000 34574.8474 -148836.0512 301.9507 -183410.8986 -148737.4615 300.3479 -180.6231 -149.4660 557573.2635 0.1622 0.1794 PRESSURE: 633000 45.3768 -101.085 -150.716 -101.087 -42.5078 -178.366 -150.717 -178.367 -232.158 GPRESSURE: 633000 92.6153 -92.3822 -194.99 -135.161 -59.1689 -152.777 -86.9633 -123.378 -161.449 PRESSAVG: 633000 -59.3888 -14.3441 -4.88323 -14.3441 -26.2705 -40.8046 -4.88327 -40.8045 61.3093 GPRESSAVG: 633000 -61.0013 -14.7971 -6.08154 -13.6836 -24.6843 -42.8989 -3.89229 -39.4533 61.1833 TIMING: 633000 CPU: 1885.21, 0.00295631/step Wall: 1885.21, 0.00295631/step, 3.58617 hours remaining, 206.550781 MB of memory in use. ENERGY: 633000 743.4832 2184.6599 1948.4906 103.3188 -205780.3339 17605.9715 0.0000 0.0000 34347.9408 -148846.4691 299.9691 -183194.4098 -148754.9214 300.6448 -76.4296 -42.6675 556980.0165 -8.1166 -8.1674 PRESSURE: 633200 36.2445 -17.1154 -100.569 -17.1167 -78.4213 -114.021 -100.569 -114.023 -229.934 GPRESSURE: 633200 23.5584 70.7764 -129.482 -30.7249 -59.6011 -230.692 -69.5222 -40.9396 -140.701 PRESSAVG: 633200 -7.8054 -49.7918 36.3595 -49.7918 40.5619 -5.20777 36.3594 -5.20767 -38.0848 GPRESSAVG: 633200 -6.61839 -50.5705 38.0741 -49.2427 40.0874 -3.89266 33.4905 -6.27634 -38.487 TIMING: 633200 CPU: 1885.8, 0.00295546/step Wall: 1885.8, 0.00295546/step, 3.58497 hours remaining, 206.550781 MB of memory in use. ENERGY: 633200 803.0398 2111.0502 1941.2240 107.7303 -205594.1483 17613.7675 0.0000 0.0000 34215.1416 -148802.1949 298.8093 -183017.3365 -148701.1165 300.4165 -90.7035 -58.9145 558730.5743 -1.7761 -1.6726 PRESSURE: 633400 -101.334 20.9925 145.396 20.9931 -8.04149 -109.823 145.397 -109.824 202.795 GPRESSURE: 633400 -93.0253 -10.7048 112.316 -53.8113 62.1952 -133.454 217.358 -62.8518 202.732 PRESSAVG: 633400 17.0297 -0.45685 39.8623 -0.456893 -50.7724 -34.6855 39.8623 -34.6854 19.4981 GPRESSAVG: 633400 16.2996 1.21423 38.2852 -2.78301 -49.4796 -36.1302 40.709 -33.7842 18.5251 TIMING: 633400 CPU: 1886.38, 0.00292997/step Wall: 1886.38, 0.00292997/step, 3.55389 hours remaining, 206.550781 MB of memory in use. ENERGY: 633400 759.2368 2106.7221 1958.3282 119.6766 -206078.3420 17870.5148 0.0000 0.0000 34384.9134 -148878.9500 300.2920 -183263.8634 -148775.8334 300.0503 31.1399 57.3008 556546.0166 -4.7482 -4.8850 PRESSURE: 633600 -2.04275 53.5487 -33.3815 53.5487 -24.6481 112.029 -33.3812 112.025 48.6359 GPRESSURE: 633600 37.029 -72.028 62.9171 74.8771 5.98242 153.246 -24.6886 129.2 83.2233 PRESSAVG: 633600 -44.02 6.87174 -6.14299 6.87182 -39.2238 -31.4319 -6.1431 -31.4319 107.053 GPRESSAVG: 633600 -43.4083 7.00568 -4.40457 9.44779 -39.4443 -26.9472 -6.80358 -32.735 107.557 TIMING: 633600 CPU: 1886.97, 0.00294577/step Wall: 1886.97, 0.00294577/step, 3.5729 hours remaining, 206.550781 MB of memory in use. ENERGY: 633600 802.5510 2075.0463 1925.9711 112.0764 -205984.4823 17785.8684 0.0000 0.0000 34297.8320 -148985.1372 299.5315 -183282.9692 -148898.4212 299.9203 7.3150 42.0782 556751.1742 7.9365 8.2347 PRESSURE: 633800 -33.053 31.3468 -77.7998 31.3473 193.54 8.40896 -77.7994 8.40925 203.248 GPRESSURE: 633800 -4.87599 -100.033 -54.6781 71.4049 245.681 4.05573 -59.9454 35.9509 211.414 PRESSAVG: 633800 -9.72628 -13.4564 -57.3243 -13.4564 5.88201 10.5896 -57.3244 10.5896 30.883 GPRESSAVG: 633800 -10.2962 -14.3757 -58.209 -14.2872 6.23 8.17875 -58.478 10.7235 31.6135 TIMING: 633800 CPU: 1887.57, 0.00296656/step Wall: 1887.57, 0.00296656/step, 3.59794 hours remaining, 206.550781 MB of memory in use. ENERGY: 633800 727.0349 2145.0760 1932.0068 108.5017 -206236.2615 17955.4364 0.0000 0.0000 34463.6030 -148904.6027 300.9792 -183368.2057 -148815.6420 299.9518 121.2448 150.7398 556638.0447 9.0129 9.1824 PRESSURE: 634000 -175.859 10.3853 76.5589 10.3845 -226.799 76.9204 76.5601 76.9209 -47.2584 GPRESSURE: 634000 -104.389 59.4784 10.4444 -45.3543 -205.574 32.9047 133.827 -25.3162 -37.17 PRESSAVG: 634000 8.28727 -5.14268 -32.8474 -5.14263 31.6023 23.5624 -32.8474 23.5625 -6.30891 GPRESSAVG: 634000 8.74963 -3.74042 -31.8559 -6.63537 32.7931 22.815 -32.2247 24.8296 -7.62275 TIMING: 634000 CPU: 1888.16, 0.00298979/step Wall: 1888.16, 0.00298979/step, 3.62595 hours remaining, 206.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 634000 757.4659 2109.5785 1922.8947 116.5114 -206274.1269 17722.6490 0.0000 0.0000 34802.8697 -148842.1577 303.9421 -183645.0274 -148737.9497 300.7430 -149.9723 -115.7109 557603.8514 11.1936 11.3067 PRESSURE: 634200 -79.2008 29.8524 11.345 29.8517 -163.756 -18.9615 11.3454 -18.962 -175.446 GPRESSURE: 634200 26.2293 9.97148 -7.18205 60.416 -157.878 18.1225 24.8545 -45.9959 -190.607 PRESSAVG: 634200 -25.447 14.3576 -33.6902 14.3577 12.6826 50.6198 -33.6902 50.6198 47.5691 GPRESSAVG: 634200 -26.5121 13.2963 -34.7331 16.0356 11.3831 52.8387 -34.049 49.7322 49.6278 TIMING: 634200 CPU: 1888.76, 0.00300274/step Wall: 1888.76, 0.00300274/step, 3.64149 hours remaining, 206.550781 MB of memory in use. ENERGY: 634200 739.3120 2062.9937 1901.8717 98.1215 -205896.5130 17650.6396 0.0000 0.0000 34556.0115 -148887.5631 301.7862 -183443.5746 -148786.0690 300.7385 -139.4676 -107.4186 558308.7058 11.6016 11.4996 PRESSURE: 634400 -179.395 68.5262 -20.5074 68.5264 -238.122 163.964 -20.5084 163.965 -232.306 GPRESSURE: 634400 -121.493 32.7609 90.9498 39.6851 -174.474 116.392 -90.0946 224.753 -247.59 PRESSAVG: 634400 69.8821 -13.5748 -7.13127 -13.5748 -27.1886 -39.3454 -7.13134 -39.3455 -45.432 GPRESSAVG: 634400 70.7086 -12.4854 -4.47608 -14.9647 -27.237 -41.0498 -6.98593 -38.711 -46.1955 TIMING: 634400 CPU: 1889.36, 0.00296566/step Wall: 1889.36, 0.00296566/step, 3.59635 hours remaining, 206.550781 MB of memory in use. ENERGY: 634400 762.3299 2084.1564 1944.1684 118.8432 -205634.4130 17477.7157 0.0000 0.0000 34475.4410 -148771.7585 301.0826 -183247.1995 -148673.0793 300.5394 -216.6078 -181.1853 559402.7705 -0.9128 -0.9080 PRESSURE: 634600 -279.054 -145.313 -9.05422 -145.313 22.426 -42.3252 -9.05468 -42.3257 -334.208 GPRESSURE: 634600 -273.896 -173.188 10.9851 -44.0995 41.6006 -132.351 -18.7568 -62.5531 -262.226 PRESSAVG: 634600 6.76287 34.5539 34.8761 34.5538 -19.4919 6.58565 34.8761 6.58563 12.544 GPRESSAVG: 634600 5.88166 34.9154 30.9143 33.8381 -19.0449 6.76962 36.3412 6.64796 13.0239 TIMING: 634600 CPU: 1889.95, 0.00296157/step Wall: 1889.95, 0.00296157/step, 3.59123 hours remaining, 206.550781 MB of memory in use. ENERGY: 634600 742.7142 2109.1303 1952.1951 103.7140 -205531.6443 17398.7793 0.0000 0.0000 34560.5048 -148664.6065 301.8255 -183225.1112 -148565.5651 300.7453 -196.9451 -164.8406 559609.8456 -0.0617 -0.0465 PRESSURE: 634800 -121.006 18.3255 -92.168 18.3277 -57.3014 -13.8356 -92.1695 -13.8351 59.8384 GPRESSURE: 634800 -69.5135 14.378 -29.3136 -45.1996 -24.7427 -19.7874 -113.157 42.9286 73.0483 PRESSAVG: 634800 -57.0497 2.14453 -4.3622 2.14444 7.20107 -36.7336 -4.36207 -36.7336 71.7429 GPRESSAVG: 634800 -56.6244 1.43535 -3.01888 2.81847 8.1955 -35.8092 -4.84347 -38.4965 70.1996 TIMING: 634800 CPU: 1890.54, 0.00297041/step Wall: 1890.54, 0.00297041/step, 3.60179 hours remaining, 206.550781 MB of memory in use. ENERGY: 634800 742.8821 2089.3873 1938.8172 118.2447 -205880.0123 17800.0398 0.0000 0.0000 34432.0089 -148758.6323 300.7033 -183190.6412 -148659.0334 300.8906 -39.4898 -7.0693 557716.4094 7.2981 7.2569 PRESSURE: 635000 117.568 -43.844 -39.8956 -43.8442 147.468 -6.84792 -39.8956 -6.84715 -26.7248 GPRESSURE: 635000 65.5667 -29.217 62.7959 7.13643 191.609 -53.5399 -71.6032 34.3113 85.8781 PRESSAVG: 635000 -63.4474 31.5412 12.763 31.5412 16.3707 20.1565 12.7629 20.1565 -0.255867 GPRESSAVG: 635000 -63.4452 31.9111 12.495 29.9198 14.941 18.8377 11.3463 21.8912 0.882325 TIMING: 635000 CPU: 1891.14, 0.00295576/step Wall: 1891.14, 0.00295576/step, 3.58386 hours remaining, 206.550781 MB of memory in use. ENERGY: 635000 751.6474 2097.9934 1939.7923 99.3835 -205696.3538 17618.2135 0.0000 0.0000 34274.4524 -148914.8713 299.3273 -183189.3237 -148823.7698 299.5117 79.4373 114.3512 556893.7575 -15.7775 -15.8740 PRESSURE: 635200 13.8389 100.569 47.7414 100.567 -44.7902 11.8955 47.7424 11.8939 -227.899 GPRESSURE: 635200 -0.785971 81.974 12.514 88.0292 -33.856 15.4247 98.6491 25.3557 -121.572 PRESSAVG: 635200 13.85 6.88917 14.3422 6.88917 58.1526 -23.4703 14.3422 -23.4702 -48.8745 GPRESSAVG: 635200 14.521 5.65028 13.1167 9.70838 58.3592 -21.9647 14.8164 -24.3807 -50.2167 TIMING: 635200 CPU: 1891.73, 0.00295658/step Wall: 1891.73, 0.00295658/step, 3.58469 hours remaining, 206.550781 MB of memory in use. ENERGY: 635200 729.6740 2060.0995 1922.7818 114.6029 -205529.9927 17439.7155 0.0000 0.0000 34377.8686 -148885.2504 300.2305 -183263.1190 -148786.5668 300.2142 -86.2834 -52.0712 557874.6540 7.7094 7.5545 PRESSURE: 635400 -473.447 -117.71 100.117 -117.71 45.7149 -46.2931 100.118 -46.2937 -64.8502 GPRESSURE: 635400 -427.743 -141.655 80.3035 -94.0419 74.3564 -62.7992 32.2555 -52.683 -41.1998 PRESSAVG: 635400 -35.686 30.3337 51.8889 30.3337 71.9184 19.6906 51.8889 19.6906 -31.4487 GPRESSAVG: 635400 -36.8637 30.9124 52.914 28.9519 73.4495 19.2646 49.2447 20.6816 -31.2598 TIMING: 635400 CPU: 1892.32, 0.00297368/step Wall: 1892.32, 0.00297368/step, 3.60525 hours remaining, 206.550781 MB of memory in use. ENERGY: 635400 754.8204 2085.1489 1923.3212 119.2525 -205566.4870 17457.4688 0.0000 0.0000 34195.2082 -149031.2670 298.6353 -183226.4752 -148935.3046 299.6451 -164.1942 -131.5288 556904.1873 1.5946 1.7753 PRESSURE: 635600 118.659 118.969 24.2349 118.97 -68.4224 38.3783 24.2352 38.378 -194.636 GPRESSURE: 635600 157.707 114.329 -24.2667 129.544 -35.1568 86.2856 34.0027 -10.3092 -180.302 PRESSAVG: 635600 -7.81248 59.0227 -35.5411 59.0227 55.8878 -20.7924 -35.5411 -20.7924 -47.9372 GPRESSAVG: 635600 -6.9562 58.8938 -34.4302 58.601 54.8258 -19.8313 -35.1603 -22.5149 -48.4092 TIMING: 635600 CPU: 1892.92, 0.00298003/step Wall: 1892.92, 0.00298003/step, 3.61279 hours remaining, 206.550781 MB of memory in use. ENERGY: 635600 762.6694 2071.3559 1908.6294 117.3020 -205731.5605 17599.7835 0.0000 0.0000 34175.9335 -149095.8868 298.4669 -183271.8203 -148999.7818 299.4011 -48.1332 -19.2507 556644.6920 0.0460 -0.1799 PRESSURE: 635800 -257.568 167.995 -73.1132 167.995 -234.696 83.7473 -73.1134 83.7467 -28.3306 GPRESSURE: 635800 -169.283 193.752 55.6413 183.922 -217.422 157.08 -176.235 -22.7073 -38.2216 PRESSAVG: 635800 -28.9272 31.7816 -70.8266 31.7816 22.1404 0.0272423 -70.8267 0.0272176 -15.9453 GPRESSAVG: 635800 -29.1468 31.8666 -70.6505 31.7191 22.2787 -1.52415 -71.0849 1.02121 -16.0291 TIMING: 635800 CPU: 1893.51, 0.00297115/step Wall: 1893.51, 0.00297115/step, 3.60187 hours remaining, 206.550781 MB of memory in use. ENERGY: 635800 771.0423 2077.1794 1948.1555 115.7470 -205839.5132 17582.6754 0.0000 0.0000 34214.8763 -149129.8374 298.8070 -183344.7137 -149035.6045 299.4176 -173.5315 -141.6422 558341.2219 -7.5774 -7.6324 PRESSURE: 636000 207.134 46.2684 -50.5712 46.2671 -31.7903 -122.005 -50.5722 -122.004 8.71831 GPRESSURE: 636000 249.47 59 -79.5789 30.7475 -12.9681 -90.2732 -81.0297 -129.69 41.5309 PRESSAVG: 636000 42.2145 16.0495 -26.1188 16.0495 -76.6318 43.0868 -26.1188 43.0868 47.6257 GPRESSAVG: 636000 42.5377 14.1551 -26.6503 19.0482 -77.3676 43.483 -27.2636 41.0635 47.6592 TIMING: 636000 CPU: 1894.1, 0.00295778/step Wall: 1894.1, 0.00295778/step, 3.58549 hours remaining, 206.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 636000 735.2243 2145.4499 1940.2943 117.2579 -206497.6780 17966.6168 0.0000 0.0000 34600.3437 -148992.4910 302.1734 -183592.8348 -148894.0866 300.0197 61.3541 92.6777 557587.7535 4.4028 4.2765 PRESSURE: 636200 102.604 -147.068 34.7301 -147.067 215.426 -7.42697 34.7314 -7.42637 54.8853 GPRESSURE: 636200 98.3301 -179.161 -41.9718 -92.2756 238.482 -21.3117 -13.0315 -27.5291 128.575 PRESSAVG: 636200 -7.8387 52.4553 -68.6683 52.4552 12.2935 -5.29139 -68.6683 -5.29145 -5.55668 GPRESSAVG: 636200 -8.48222 54.7469 -69.8796 49.1959 11.8094 -5.74183 -66.9464 -2.05171 -4.3736 TIMING: 636200 CPU: 1894.7, 0.00299454/step Wall: 1894.7, 0.00299454/step, 3.62988 hours remaining, 206.550781 MB of memory in use. ENERGY: 636200 720.8665 2137.5900 1941.6288 119.0444 -206087.5906 17967.5222 0.0000 0.0000 34131.0870 -149069.8516 298.0753 -183200.9386 -148972.5761 300.3918 124.3052 155.1290 556545.8410 -0.3673 -0.3488 LDB: ============= START OF LOAD BALANCING ============== 1898.25 LDB: ============== END OF LOAD BALANCING =============== 1898.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1898.25 LDB: ============= START OF LOAD BALANCING ============== 1898.55 LDB: Largest compute 4795 load 0.027474 is 23.3% of average load 0.118134 LDB: Average compute 0.001732 is 1.5% of average load 0.118134 LDB: TIME 1898.55 LOAD: AVG 0.118134 MAX 0.206495 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.121 MB LDB: TIME 1898.55 LOAD: AVG 0.118134 MAX 0.206495 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.121 MB LDB: TIME 1898.55 LOAD: AVG 0.118134 MAX 0.206495 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.121 MB LDB: ============== END OF LOAD BALANCING =============== 1898.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1898.56 PRESSURE: 636400 15.2265 -46.7463 0.401082 -46.7473 -317.301 -105.284 0.400989 -105.285 -250.704 GPRESSURE: 636400 37.5149 -34.1068 13.1003 3.90621 -304.213 -116.649 -38.12 -133.94 -199.984 PRESSAVG: 636400 39.0873 1.13388 8.81685 1.13394 -29.501 -4.03973 8.81683 -4.03971 -10.3209 GPRESSAVG: 636400 38.9406 1.68534 9.57617 0.16127 -28.9659 -3.01994 8.15331 -3.20095 -10.8381 TIMING: 636400 CPU: 1895.31, 0.00304344/step Wall: 1895.31, 0.00304344/step, 3.68898 hours remaining, 207.828125 MB of memory in use. ENERGY: 636400 777.3122 2103.1132 1943.9650 115.1895 -206023.4910 17589.2289 0.0000 0.0000 34424.0043 -149070.6779 300.6334 -183494.6822 -148965.5176 299.4805 -184.2595 -155.5608 556951.6827 -0.2448 -0.2878 PRESSURE: 636600 -218.129 -154.026 128.227 -154.026 -69.277 -95.0024 128.227 -95.0035 -117.705 GPRESSURE: 636600 -138.427 -113.914 58.8535 -119.325 -16.377 -49.9158 171.256 -43.2648 -124.771 PRESSAVG: 636600 -15.3937 -29.2484 49.7736 -29.2483 7.32659 -7.05439 49.7736 -7.05448 -21.51 GPRESSAVG: 636600 -15.9183 -31.1027 48.9252 -25.7481 7.79943 -7.43745 51.9487 -7.02312 -21.6386 TIMING: 636600 CPU: 1895.9, 0.00294331/step Wall: 1895.9, 0.00294331/step, 3.56745 hours remaining, 208.085938 MB of memory in use. ENERGY: 636600 793.2182 2129.7187 1938.9875 110.1507 -205900.8269 17603.4778 0.0000 0.0000 34130.8315 -149194.4426 298.0730 -183325.2741 -149105.7134 299.6672 -135.0367 -93.1919 557042.2613 -9.8590 -9.9192 PRESSURE: 636800 -114.922 -42.3347 -132.011 -42.3341 -156.631 -10.3765 -132.012 -10.3756 -201.474 GPRESSURE: 636800 -69.7625 16.5962 -168.647 -26.1378 -136.214 16.3319 -203.911 -7.66711 -177.941 PRESSAVG: 636800 3.69295 14.3244 59.1508 14.3244 42.5562 -17.7517 59.1508 -17.7517 -42.7798 GPRESSAVG: 636800 4.80542 17.6677 59.9292 11.5993 41.5664 -17.6168 57.2795 -18.7776 -42.9925 TIMING: 636800 CPU: 1896.49, 0.0029468/step Wall: 1896.49, 0.0029468/step, 3.57152 hours remaining, 208.085938 MB of memory in use. ENERGY: 636800 764.1926 2101.0128 1946.3580 118.9166 -206025.3912 17615.7068 0.0000 0.0000 34300.6154 -149178.5891 299.5558 -183479.2045 -149084.8982 299.9700 -157.6758 -127.9724 557590.1419 1.1564 1.1264 PRESSURE: 637000 -7.49619 -65.6242 85.3757 -65.6229 180.535 -32.3732 85.3748 -32.3721 118.909 GPRESSURE: 637000 47.7723 -29.4672 150.379 -54.1827 189.832 -90.4574 57.2438 60.4162 152.562 PRESSAVG: 637000 74.878 17.5228 -27.9689 17.5228 30.7704 -34.4445 -27.969 -34.4444 -83.361 GPRESSAVG: 637000 75.2496 15.8563 -28.3465 18.3583 31.4403 -34.0509 -27.4857 -34.8799 -84.2495 TIMING: 637000 CPU: 1897.08, 0.00297413/step Wall: 1897.08, 0.00297413/step, 3.60448 hours remaining, 208.085938 MB of memory in use. ENERGY: 637000 745.6213 2063.4254 1945.6115 121.4249 -206545.3420 17971.1478 0.0000 0.0000 34419.0898 -149279.0213 300.5905 -183698.1111 -149178.7203 299.2339 97.3159 130.0556 555295.3307 7.4291 7.4801 PRESSURE: 637200 -126.906 -201.311 -12.4084 -201.312 192.641 -137.095 -12.4069 -137.094 -231.942 GPRESSURE: 637200 -71.605 -150.621 -30.5623 -201.034 183.117 -30.3315 -24.8462 -141.049 -175.152 PRESSAVG: 637200 -1.79405 -65 -40.7286 -65 51.4842 -1.62527 -40.7286 -1.62519 -25.7124 GPRESSAVG: 637200 -3.01523 -64.4547 -40.997 -65.4441 51.8236 -1.52105 -40.6565 -4.12184 -24.8615 TIMING: 637200 CPU: 1897.68, 0.00297761/step Wall: 1897.68, 0.00297761/step, 3.60853 hours remaining, 208.085938 MB of memory in use. ENERGY: 637200 760.8268 2077.2267 1913.3169 110.7412 -206290.3508 17790.9655 0.0000 0.0000 34453.1900 -149184.0838 300.8883 -183637.2737 -149096.6918 299.5675 -55.4022 -21.2132 556148.1849 7.9926 7.9823 PRESSURE: 637400 5.97784 39.3975 209.147 39.3978 68.9211 -81.657 209.147 -81.6561 -97.1393 GPRESSURE: 637400 16.038 119.22 154.489 -24.3662 124.478 -101.859 253.434 -145.171 -64.5031 PRESSAVG: 637400 27.505 -16.1271 9.5681 -16.1271 -2.37778 -7.02778 9.56814 -7.02764 -23.6917 GPRESSAVG: 637400 28.4506 -16.9724 9.41612 -17.2288 -2.94384 -7.21644 8.20271 -6.3442 -24.0886 TIMING: 637400 CPU: 1898.28, 0.0029822/step Wall: 1898.28, 0.0029822/step, 3.61393 hours remaining, 208.085938 MB of memory in use. ENERGY: 637400 763.7704 2022.4497 1945.3354 117.5686 -206105.9302 17670.3738 0.0000 0.0000 34318.0701 -149268.3622 299.7082 -183586.4324 -149171.2519 299.5253 -7.4135 25.3377 557324.7574 0.4785 0.4727 PRESSURE: 637600 142.309 -90.9347 -44.924 -90.9355 -314.625 160.639 -44.9235 160.642 -254.513 GPRESSURE: 637600 145.562 -110.797 -39.4694 -61.5048 -266.179 164.399 -67.2943 202.797 -213.783 PRESSAVG: 637600 12.1075 -86.9013 5.13848 -86.9012 -11.2436 46.5147 5.13846 46.5147 11.362 GPRESSAVG: 637600 11.8452 -86.0882 5.64186 -86.1518 -10.501 46.9091 5.76895 47.3161 11.139 TIMING: 637600 CPU: 1898.87, 0.00297499/step Wall: 1898.87, 0.00297499/step, 3.60503 hours remaining, 208.355469 MB of memory in use. ENERGY: 637600 744.4562 2041.9906 1936.1019 108.9734 -205764.0978 17491.7962 0.0000 0.0000 34273.2164 -149167.5631 299.3165 -183440.7795 -149071.5243 299.2339 -142.2764 -111.4664 558090.5280 4.0753 4.1611 PRESSURE: 637800 93.2871 32.9636 243.594 32.9634 -28.5614 -119.63 243.592 -119.629 626.974 GPRESSURE: 637800 127.141 143.327 234.691 -66.7314 73.3574 -153.426 223.036 -19.058 580.834 PRESSAVG: 637800 26.2057 -1.02779 -0.601872 -1.02781 11.5644 -12.4197 -0.601941 -12.4199 -41.2208 GPRESSAVG: 637800 25.4416 -0.762178 2.18725 -1.62669 12.0322 -14.9626 -1.59238 -11.4835 -40.8858 TIMING: 637800 CPU: 1899.47, 0.0029753/step Wall: 1899.47, 0.0029753/step, 3.60524 hours remaining, 208.355469 MB of memory in use. ENERGY: 637800 706.8556 2122.9631 1944.7379 105.5407 -206314.0925 17967.9750 0.0000 0.0000 34181.9703 -149284.0499 298.5196 -183466.0201 -149191.5109 299.1264 230.5664 260.4441 556633.7451 -1.1503 -1.1373 PRESSURE: 638000 180.316 -105.925 28.6079 -105.925 -117.566 94.6367 28.6081 94.6369 9.94684 GPRESSURE: 638000 146.886 -113.182 96.6032 52.1797 -45.6275 48.8448 27.9114 96.0593 67.9337 PRESSAVG: 638000 55.6843 -6.81729 35.2937 -6.81743 -45.5114 17.1741 35.2937 17.1741 -15.3723 GPRESSAVG: 638000 56.376 -6.57575 32.1054 -5.82423 -45.9881 18.3569 33.4382 15.8123 -15.5239 TIMING: 638000 CPU: 1900.06, 0.00297917/step Wall: 1900.06, 0.00297917/step, 3.60976 hours remaining, 208.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 638000 690.0929 2087.4732 1936.2837 106.7431 -206204.5441 17756.7608 0.0000 0.0000 34370.3439 -149256.8465 300.1648 -183627.1904 -149160.6085 299.2018 24.2324 56.3973 555929.5400 -1.7331 -1.7120 PRESSURE: 638200 53.5101 -78.2091 -153.138 -78.2098 227.18 69.6727 -153.139 69.671 -84.8745 GPRESSURE: 638200 74.5577 -145.579 -83.5607 -69.624 286.273 39.1413 -132.703 46.3858 -61.1271 PRESSAVG: 638200 51.1961 -17.6014 1.05525 -17.6014 -56.3063 9.43473 1.05516 9.43481 11.8323 GPRESSAVG: 638200 51.7009 -18.6563 1.89726 -15.7856 -57.1397 11.2207 1.82012 9.92286 12.4639 TIMING: 638200 CPU: 1900.65, 0.00296576/step Wall: 1900.65, 0.00296576/step, 3.59335 hours remaining, 208.355469 MB of memory in use. ENERGY: 638200 727.5627 2106.7962 1947.1701 104.6339 -206052.0206 17760.7224 0.0000 0.0000 34269.0976 -149136.0377 299.2806 -183405.1353 -149043.9682 300.0251 65.2720 99.9011 556306.6937 2.2407 2.3417 PRESSURE: 638400 324.439 -110.107 -24.0997 -110.108 -67.6575 10.9277 -24.1004 10.9271 -9.92233 GPRESSURE: 638400 354.943 -94.6313 32.4569 -131.876 -41.2235 88.0035 -9.8827 7.52993 40.3835 PRESSAVG: 638400 85.4728 -13.2402 -41.4966 -13.2402 2.64739 -2.50784 -41.4966 -2.50773 -53.439 GPRESSAVG: 638400 85.8623 -12.0513 -41.7866 -14.6582 1.99922 -3.97257 -39.7581 -1.42922 -53.2441 TIMING: 638400 CPU: 1901.25, 0.00299495/step Wall: 1901.25, 0.00299495/step, 3.62855 hours remaining, 208.355469 MB of memory in use. ENERGY: 638400 695.9288 2096.1720 1958.3246 110.8406 -206352.9551 17883.0175 0.0000 0.0000 34512.3932 -149096.2784 301.4053 -183608.6716 -149003.1025 299.9724 82.2865 118.0344 557298.9330 11.5604 11.5392 PRESSURE: 638600 -79.9507 131.672 3.98768 131.671 80.5897 -26.5132 3.98668 -26.5139 -26.0617 GPRESSURE: 638600 -31.6723 58.6787 -22.0849 103.126 119.981 -101.501 -8.01348 -8.41974 -26.7673 PRESSAVG: 638600 -10.5031 24.5777 -13.0729 24.5778 24.8504 -25.4159 -13.0728 -25.4158 -36.6164 GPRESSAVG: 638600 -11.2866 24.2388 -11.8531 26.5494 25.5837 -25.0987 -13.4519 -27.2431 -36.7829 TIMING: 638600 CPU: 1901.85, 0.00299291/step Wall: 1901.85, 0.00299291/step, 3.62591 hours remaining, 208.355469 MB of memory in use. ENERGY: 638600 734.6738 2055.4301 1948.8602 115.0488 -206446.1824 17889.4586 0.0000 0.0000 34333.1545 -149369.5564 299.8400 -183702.7109 -149272.4308 299.7533 -8.4742 20.5138 557629.7489 -7.4230 -7.4953 PRESSURE: 638800 0.540956 -89.8194 -70.0896 -89.8191 -97.9757 -32.6614 -70.0891 -32.6588 53.8803 GPRESSURE: 638800 22.0528 -189.172 -74.102 -58.7298 -56.379 4.99139 -86.4905 -55.5475 89.3519 PRESSAVG: 638800 -60.0301 -39.5354 -32.7713 -39.5354 2.27088 9.75198 -32.7713 9.75197 59.5731 GPRESSAVG: 638800 -60.2666 -37.4108 -33.6178 -41.0255 2.34527 9.81545 -31.6688 10.6344 59.697 TIMING: 638800 CPU: 1902.45, 0.00296788/step Wall: 1902.45, 0.00296788/step, 3.59542 hours remaining, 208.355469 MB of memory in use. ENERGY: 638800 743.4200 2067.6826 1941.2478 106.2538 -206761.3354 18060.2147 0.0000 0.0000 34437.6592 -149404.8572 300.7526 -183842.5164 -149303.3230 298.8852 -14.5182 18.3419 557915.7478 0.6046 0.5919 PRESSURE: 639000 33.0133 100.864 71.7325 100.866 18.7503 30.5057 71.7323 30.5063 -25.6683 GPRESSURE: 639000 46.2402 62.7963 70.2929 42.8433 41.709 25.2229 132.416 57.7098 34.3529 PRESSAVG: 639000 -39.1595 1.86941 -11.7216 1.86935 16.3191 -14.0536 -11.7216 -14.0536 11.3912 GPRESSAVG: 639000 -39.8202 -0.919317 -12.5637 2.04225 18.2148 -12.6375 -11.9399 -14.6964 10.2984 TIMING: 639000 CPU: 1903.04, 0.00296165/step Wall: 1903.04, 0.00296165/step, 3.58771 hours remaining, 208.355469 MB of memory in use. ENERGY: 639000 749.1048 2096.3395 1944.5344 113.9641 -206393.3485 18045.5359 0.0000 0.0000 34089.2960 -149354.5738 297.7103 -183443.8697 -149257.9159 299.0271 8.6984 40.7673 558893.7484 -3.8164 -3.7690 PRESSURE: 639200 45.3978 -176.693 -30.1252 -176.693 8.25979 110.271 -30.1274 110.272 447.271 GPRESSURE: 639200 85.4353 -122.007 10.9738 -217.433 32.0579 22.3233 -35.664 93.6268 486.173 PRESSAVG: 639200 -21.2012 -60.587 -5.75638 -60.5869 -14.925 -0.575145 -5.75635 -0.575207 18.5618 GPRESSAVG: 639200 -20.1163 -61.2705 -5.64784 -59.3538 -16.7833 -3.42642 -3.54973 -0.101323 19.2128 TIMING: 639200 CPU: 1903.63, 0.00296853/step Wall: 1903.63, 0.00296853/step, 3.59587 hours remaining, 208.355469 MB of memory in use. ENERGY: 639200 784.5259 2141.2565 1929.7336 110.1466 -206962.2371 18198.4099 0.0000 0.0000 34359.6534 -149438.5111 300.0714 -183798.1645 -149345.2676 298.9375 166.9761 201.2220 556575.9144 -5.8548 -5.8956 PRESSURE: 639400 -26.5922 78.9104 33.8685 78.9105 -123.612 169.997 33.868 169.997 145.062 GPRESSURE: 639400 34.5128 66.9098 -15.52 56.3277 -152.529 127.413 29.4534 230.375 209.135 PRESSAVG: 639400 -38.4642 11.4226 6.5327 11.4225 -40.6118 29.6915 6.53257 29.6916 97.6999 GPRESSAVG: 639400 -38.1952 13.8827 6.76059 10.8928 -40.1955 31.0727 5.38159 30.4701 96.8732 TIMING: 639400 CPU: 1904.22, 0.002961/step Wall: 1904.22, 0.002961/step, 3.58659 hours remaining, 208.355469 MB of memory in use. ENERGY: 639400 759.0152 2116.9552 1925.6296 119.8933 -206544.0828 17946.1200 0.0000 0.0000 34067.1449 -149609.3247 297.5168 -183676.4696 -149522.8157 297.6200 -1.7141 30.3728 557918.0864 6.2080 6.1608 PRESSURE: 639600 -159.918 122.53 16.4926 122.53 36.9085 59.5084 16.4937 59.5086 49.1878 GPRESSURE: 639600 -136.697 -6.98223 -6.54694 206.06 54.3215 85.3038 3.05861 82.1422 112.071 PRESSAVG: 639600 -2.34683 -69.5821 -18.9784 -69.582 -20.7374 33.9487 -18.9784 33.9487 12.1555 GPRESSAVG: 639600 -2.59244 -73.2075 -19.4271 -69.2463 -21.411 32.4583 -20.4685 32.0788 13.4402 TIMING: 639600 CPU: 1904.82, 0.00296197/step Wall: 1904.82, 0.00296197/step, 3.58761 hours remaining, 208.355469 MB of memory in use. ENERGY: 639600 773.7920 2111.0514 1945.4832 107.5979 -206130.3690 17777.7948 0.0000 0.0000 33994.1964 -149420.4532 296.8798 -183414.6496 -149324.0526 297.8362 -24.6074 9.8985 557832.7745 -3.6429 -3.5211 PRESSURE: 639800 1.16157 44.7406 -53.7108 44.7407 -155.168 63.6293 -53.7101 63.6302 -359.477 GPRESSURE: 639800 -16.156 56.7131 -149.312 21.0127 -97.1003 22.6493 -93.9838 72.873 -307.746 PRESSAVG: 639800 45.4901 -6.07335 -44.6785 -6.07331 8.09889 29.8575 -44.6784 29.8576 -32.4881 GPRESSAVG: 639800 44.7885 -2.87073 -44.3658 -8.80516 10.0359 31.7448 -41.8696 28.9054 -33.4702 TIMING: 639800 CPU: 1905.41, 0.00299044/step Wall: 1905.41, 0.00299044/step, 3.62192 hours remaining, 208.355469 MB of memory in use. ENERGY: 639800 760.5207 2092.5656 1942.4286 122.1717 -206681.4211 17887.4706 0.0000 0.0000 34347.6363 -149528.6276 299.9665 -183876.2639 -149424.6313 297.9904 -171.1610 -140.3339 557642.3523 7.0336 7.1181 PRESSURE: 640000 37.7308 -170.93 118.475 -170.93 -128.969 95.143 118.475 95.1436 18.286 GPRESSURE: 640000 82.1887 -123.956 137.687 -203.16 -142.677 9.24585 97.7636 129.454 90.9772 PRESSAVG: 640000 70.3728 -6.47402 21.2014 -6.47401 -27.1766 -26.2037 21.2016 -26.2037 1.17611 GPRESSAVG: 640000 70.9724 -6.15711 20.844 -4.41444 -27.2766 -26.6233 16.7237 -24.0322 0.527743 TIMING: 640000 CPU: 1906.01, 0.00296452/step Wall: 1906.01, 0.00296452/step, 3.59037 hours remaining, 208.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 640000 736.0252 2058.7811 1905.6783 116.4207 -206289.1933 17750.4742 0.0000 0.0000 34009.2385 -149712.5753 297.0111 -183721.8138 -149612.4670 297.8590 -24.3175 10.1631 557984.9373 14.7908 14.7412 PRESSURE: 640200 -74.39 -0.753094 71.7409 -0.752114 80.4926 17.5775 71.7402 17.5788 -136.515 GPRESSURE: 640200 -39.1439 -10.7364 30.91 48.9465 118.594 49.4588 -5.01668 -44.7121 -118.361 PRESSAVG: 640200 30.8382 -1.64786 -56.6608 -1.64782 -51.2209 -1.50676 -56.6609 -1.50668 6.41679 GPRESSAVG: 640200 32.1329 -3.64287 -57.3027 -2.01455 -53.3479 -1.07724 -54.3437 -0.728045 6.94355 TIMING: 640200 CPU: 1906.6, 0.00296583/step Wall: 1906.6, 0.00296583/step, 3.59179 hours remaining, 208.355469 MB of memory in use. ENERGY: 640200 734.5267 2065.9603 1940.0804 107.0340 -206380.6553 17770.0086 0.0000 0.0000 33944.2066 -149818.8385 296.4432 -183763.0452 -149729.0295 297.1223 -43.4706 -12.9701 558062.9516 -4.6553 -4.7571 LDB: ============= START OF LOAD BALANCING ============== 1910.15 LDB: ============== END OF LOAD BALANCING =============== 1910.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1910.15 LDB: ============= START OF LOAD BALANCING ============== 1910.45 LDB: Largest compute 4774 load 0.029062 is 24.6% of average load 0.118050 LDB: Average compute 0.001745 is 1.5% of average load 0.118050 LDB: TIME 1910.46 LOAD: AVG 0.11805 MAX 0.20365 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.547 MB LDB: TIME 1910.46 LOAD: AVG 0.11805 MAX 0.20365 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.551 MB LDB: TIME 1910.46 LOAD: AVG 0.11805 MAX 0.20365 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.551 MB LDB: ============== END OF LOAD BALANCING =============== 1910.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1910.46 PRESSURE: 640400 28.0227 20.4948 -101.064 20.4948 41.0915 65.9985 -101.064 65.9991 0.486257 GPRESSURE: 640400 56.6866 21.5899 -25.0126 -47.3401 100.309 132.501 -126.736 67.8429 -3.45046 PRESSAVG: 640400 -2.95675 -0.800748 -18.2028 -0.800829 -71.5718 20.6372 -18.2028 20.6373 65.8363 GPRESSAVG: 640400 -3.78282 -0.252585 -17.405 -2.33862 -69.83 21.0039 -17.9616 20.6761 65.8548 TIMING: 640400 CPU: 1907.21, 0.00305443/step Wall: 1907.21, 0.00305443/step, 3.69891 hours remaining, 206.035156 MB of memory in use. ENERGY: 640400 726.4089 2075.2359 1935.9175 114.3269 -206789.0019 18135.3027 0.0000 0.0000 33999.2850 -149802.5249 296.9242 -183801.8099 -149707.9084 297.0458 23.2001 51.1816 558462.9291 -2.8974 -2.5860 PRESSURE: 640600 33.8462 -30.8489 -28.1247 -30.8483 56.1206 38.3565 -28.1248 38.3584 -113.718 GPRESSURE: 640600 58.27 59.7263 -46.6541 -26.5766 48.173 -51.0022 -30.9434 -8.48511 -31.5353 PRESSAVG: 640600 51.2037 -22.8335 -88.6974 -22.8334 -31.4699 -9.07558 -88.6973 -9.07553 -4.73907 GPRESSAVG: 640600 51.6763 -23.2775 -86.6219 -21.7277 -32.5872 -9.83349 -90.2183 -11.0901 -4.07524 TIMING: 640600 CPU: 1907.81, 0.00299903/step Wall: 1907.81, 0.00299903/step, 3.63166 hours remaining, 206.035156 MB of memory in use. ENERGY: 640600 755.3556 2076.3258 1932.8370 115.7061 -206652.6305 17967.7937 0.0000 0.0000 34168.7387 -149635.8736 298.4041 -183804.6123 -149548.5082 297.9931 -7.9171 24.9692 557672.0969 4.9983 5.0046 PRESSURE: 640800 -215.386 6.96372 -17.9117 6.96329 -261.452 -1.25596 -17.9108 -1.25611 -65.9579 GPRESSURE: 640800 -166.531 17.7842 -45.6589 47.659 -209.933 -30.4319 -40.3239 -7.92822 -84.5033 PRESSAVG: 640800 34.3518 -55.9642 1.73221 -55.9642 -14.2014 -4.66085 1.73221 -4.66083 -9.19442 GPRESSAVG: 640800 34.319 -54.0287 0.161668 -56.0347 -15.1637 -6.96508 1.18314 -4.4401 -8.03763 TIMING: 640800 CPU: 1908.41, 0.00297827/step Wall: 1908.41, 0.00297827/step, 3.60635 hours remaining, 206.035156 MB of memory in use. ENERGY: 640800 784.0342 2059.1171 1936.1237 125.0794 -206059.8559 17608.4254 0.0000 0.0000 34086.9616 -149460.1145 297.6899 -183547.0761 -149366.5123 298.4764 -180.9318 -153.6555 558821.1659 3.6520 3.7059 PRESSURE: 641000 170.923 109.967 -73.6937 109.967 211.747 55.8317 -73.6926 55.8322 -107.031 GPRESSURE: 641000 189.492 60.9606 -142.211 160.939 260.847 9.95226 -34.3047 31.9589 -77.2851 PRESSAVG: 641000 23.0467 -15.7169 8.81789 -15.7168 -3.53025 -2.55168 8.81789 -2.55154 -38.9853 GPRESSAVG: 641000 22.2999 -19.0351 7.77234 -14.1677 -1.5248 -0.595226 10.1422 -0.226128 -40.027 TIMING: 641000 CPU: 1909, 0.00296571/step Wall: 1909, 0.00296571/step, 3.59098 hours remaining, 206.035156 MB of memory in use. ENERGY: 641000 758.0001 2063.2766 1919.6156 108.3247 -206880.5638 18198.3311 0.0000 0.0000 34361.6549 -149471.3608 300.0889 -183833.0157 -149363.3390 297.7336 91.8795 124.3513 557721.6610 -6.4896 -6.4173 PRESSURE: 641200 -54.0892 -33.6249 191.42 -33.6248 256.273 32.5286 191.42 32.5272 172.1 GPRESSURE: 641200 -44.9875 -17.8199 223.176 7.90706 302.783 36.6119 214.741 4.7595 196.382 PRESSAVG: 641200 37.9215 1.71021 -15.0502 1.71026 52.6439 66.3818 -15.0502 66.3818 -69.2319 GPRESSAVG: 641200 37.6725 3.23383 -15.3347 0.860249 52.7439 64.0706 -15.0396 66.8663 -68.9991 TIMING: 641200 CPU: 1909.59, 0.00296986/step Wall: 1909.59, 0.00296986/step, 3.59584 hours remaining, 206.035156 MB of memory in use. ENERGY: 641200 707.6916 2148.8299 1926.5491 107.7246 -206342.0763 17780.9417 0.0000 0.0000 34313.7230 -149356.6164 299.6703 -183670.3394 -149261.4497 298.5475 124.7615 151.3925 557592.8190 7.1111 7.1391 PRESSURE: 641400 -82.1482 -100.816 -53.2467 -100.818 1.87854 171.598 -53.2481 171.598 40.3697 GPRESSURE: 641400 -44.6309 -86.662 -55.4533 -82.5113 106.413 143.136 -74.6455 168.962 -5.64482 PRESSAVG: 641400 19.5973 -27.9008 -59.8825 -27.9008 47.5965 3.42905 -59.8825 3.42914 -39.0078 GPRESSAVG: 641400 20.5053 -27.9306 -58.7789 -27.4506 47.3354 6.48953 -60.4846 0.662126 -39.5754 TIMING: 641400 CPU: 1910.19, 0.00296674/step Wall: 1910.19, 0.00296674/step, 3.5919 hours remaining, 206.035156 MB of memory in use. ENERGY: 641400 765.9813 2070.7370 1928.6798 108.2465 -206130.3749 17832.9761 0.0000 0.0000 34099.5764 -149324.1777 297.8001 -183423.7541 -149227.4098 298.8547 -13.3000 18.7124 556703.0747 9.3954 9.4218 PRESSURE: 641600 -379.107 -28.1101 -51.1663 -28.111 -265.541 -162.745 -51.1665 -162.746 38.2083 GPRESSURE: 641600 -333.516 -65.0927 -129.105 -16.1866 -217.777 -116.413 -55.4287 -195.885 48.2944 PRESSAVG: 641600 5.17339 -50.3787 23.4945 -50.3787 8.98613 2.16855 23.4945 2.16867 -6.03062 GPRESSAVG: 641600 5.08232 -51.061 21.3066 -50.9767 9.02749 1.252 24.4097 3.18556 -6.18135 TIMING: 641600 CPU: 1910.78, 0.00297311/step Wall: 1910.78, 0.00297311/step, 3.59944 hours remaining, 206.035156 MB of memory in use. ENERGY: 641600 749.4394 2056.5177 1942.5455 130.5813 -205650.6973 17356.7611 0.0000 0.0000 34069.5598 -149345.2925 297.5379 -183414.8523 -149252.5946 298.3780 -202.1467 -167.6661 558060.9327 2.7096 2.6428 PRESSURE: 641800 -35.9958 -188.65 -158.425 -188.65 -66.4069 -0.590845 -158.427 -0.590269 -109.882 GPRESSURE: 641800 -1.37909 -243.006 -219.156 -157.504 -24.3229 -56.5674 -77.2969 0.137458 -91.8255 PRESSAVG: 641800 0.14959 -57.1231 24.3389 -57.1232 -14.4915 -50.6646 24.3388 -50.6645 28.238 GPRESSAVG: 641800 0.660106 -55.6059 25.3802 -55.8309 -14.5616 -52.3018 24.2455 -49.9331 27.9901 TIMING: 641800 CPU: 1911.38, 0.00297193/step Wall: 1911.38, 0.00297193/step, 3.59785 hours remaining, 206.035156 MB of memory in use. ENERGY: 641800 721.5904 2101.1558 1934.3824 117.9287 -206099.1796 17660.3953 0.0000 0.0000 34180.2115 -149383.5155 298.5043 -183563.7270 -149281.4362 298.9841 -70.7614 -39.1758 558307.7920 4.6320 4.6962 PRESSURE: 642000 113.979 -14.9171 16.9471 -14.9172 -145.587 -156.857 16.947 -156.858 -160.914 GPRESSURE: 642000 161.845 47.7489 35.4368 31.9827 -109.474 -216.036 -43.0221 -176.175 -145.885 PRESSAVG: 642000 -27.2922 -38.7904 -55.7983 -38.7904 47.094 -46.7797 -55.7984 -46.7798 17.0427 GPRESSAVG: 642000 -28.0097 -40.5901 -54.6404 -40.3946 47.3954 -46.5338 -56.4116 -47.4089 16.835 TIMING: 642000 CPU: 1911.97, 0.00296492/step Wall: 1911.97, 0.00296492/step, 3.5892 hours remaining, 206.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 642000 697.1872 2065.9415 1928.3557 113.6992 -206304.7264 17743.3793 0.0000 0.0000 34298.5388 -149457.6247 299.5377 -183756.1635 -149364.9395 298.1695 -64.1744 -31.1712 558316.1655 12.2815 12.0736 PRESSURE: 642200 -221.609 26.7221 131.305 26.7228 25.0494 -9.73981 131.305 -9.74042 -306.318 GPRESSURE: 642200 -213.977 69.0253 91.1199 -26.509 38.3139 34.185 176.655 28.8648 -233.874 PRESSAVG: 642200 -20.9308 16.5411 -18.9741 16.5411 18.4708 0.0904196 -18.9741 0.0903145 -24.7353 GPRESSAVG: 642200 -20.8548 19.3635 -18.9016 16.2023 17.2216 0.549474 -17.3966 0.763932 -23.8753 TIMING: 642200 CPU: 1912.56, 0.00296605/step Wall: 1912.56, 0.00296605/step, 3.5904 hours remaining, 206.035156 MB of memory in use. ENERGY: 642200 800.6852 2112.7290 1931.7083 109.6600 -206560.4405 17841.0225 0.0000 0.0000 34153.5466 -149611.0889 298.2714 -183764.6355 -149514.6223 298.6224 -167.6260 -136.5123 558066.2547 -9.0651 -9.1695 PRESSURE: 642400 -41.3592 157.912 79.7416 157.91 48.4896 94.8008 79.7417 94.8017 106.361 GPRESSURE: 642400 -7.89094 102.955 16.4445 172.223 68.4855 129.153 81.1961 44.6096 158.785 PRESSAVG: 642400 4.10855 28.7773 51.5966 28.7772 10.7397 -15.7232 51.5966 -15.7232 -35.695 GPRESSAVG: 642400 4.40395 29.5401 50.9193 28.1015 10.5738 -14.8894 51.2286 -15.67 -35.316 TIMING: 642400 CPU: 1913.16, 0.00298169/step Wall: 1913.16, 0.00298169/step, 3.60917 hours remaining, 206.035156 MB of memory in use. ENERGY: 642400 721.9835 2120.5277 1934.9023 113.9675 -206653.7444 17986.5090 0.0000 0.0000 34181.4835 -149594.3710 298.5154 -183775.8545 -149501.6031 297.9117 37.8305 73.1264 558108.0019 -6.9489 -6.7794 PRESSURE: 642600 -26.7771 80.9815 215.095 80.9815 9.93291 -168.878 215.095 -168.88 -321.329 GPRESSURE: 642600 -6.23409 5.96145 229.082 39.0469 27.9538 -271.7 184.347 -88.5833 -274.377 PRESSAVG: 642600 3.76394 38.6504 18.0706 38.6504 37.2018 33.2888 18.0706 33.2888 -42.6996 GPRESSAVG: 642600 4.10786 36.0997 17.4411 41.9256 36.7651 32.855 16.711 33.26 -42.6199 TIMING: 642600 CPU: 1913.76, 0.00298051/step Wall: 1913.76, 0.00298051/step, 3.60758 hours remaining, 206.035156 MB of memory in use. ENERGY: 642600 732.1950 2081.4461 1947.9506 122.4530 -206466.2323 17773.4861 0.0000 0.0000 34152.7142 -149655.9872 298.2641 -183808.7014 -149552.1785 297.8845 -112.7243 -84.2192 556956.3883 -0.5780 -0.5823 PRESSURE: 642800 -68.3456 133.566 -52.0358 133.565 -81.6342 -150.02 -52.0352 -150.021 -41.3755 GPRESSURE: 642800 -32.8623 124.215 -146.009 40.2609 -37.7243 -143.325 -70.1163 -213.774 -21.0153 PRESSAVG: 642800 -13.3095 -9.32106 9.11323 -9.321 -61.6895 2.02083 9.11325 2.02092 84.801 GPRESSAVG: 642800 -12.5529 -10.2281 8.22238 -11.7345 -60.7677 2.76978 9.90593 1.61958 83.3518 TIMING: 642800 CPU: 1914.35, 0.0029679/step Wall: 1914.35, 0.0029679/step, 3.59215 hours remaining, 206.035156 MB of memory in use. ENERGY: 642800 778.2169 2097.8474 1935.2379 97.3390 -206505.0339 17858.3462 0.0000 0.0000 34131.7772 -149606.2693 298.0813 -183738.0465 -149510.1328 298.1982 -63.7851 -30.5340 556908.8434 3.2673 3.3438 PRESSURE: 643000 -58.412 192.172 68.5038 192.171 80.6067 -128.991 68.5035 -128.99 47.2258 GPRESSURE: 643000 -61.2327 180.833 76.62 132.805 135.824 -74.5174 113.17 -180.55 84.9559 PRESSAVG: 643000 45.1803 21.5017 -30.4832 21.5017 -25.8162 11.6774 -30.4832 11.6774 0.747208 GPRESSAVG: 643000 44.9498 20.9252 -29.5956 21.4882 -25.988 12.4814 -30.1567 10.4808 0.781496 TIMING: 643000 CPU: 1914.94, 0.00297004/step Wall: 1914.94, 0.00297004/step, 3.59457 hours remaining, 206.035156 MB of memory in use. ENERGY: 643000 757.1410 2053.3682 1939.7036 100.8154 -206707.7609 18070.2788 0.0000 0.0000 34145.3008 -149641.1531 298.1994 -183786.4539 -149544.6578 298.1128 23.1402 53.1825 556953.5146 6.7038 6.5811 PRESSURE: 643200 -112.785 -106.36 169.042 -106.36 -12.3263 -43.9036 169.044 -43.9044 -211.723 GPRESSURE: 643200 -31.4103 -145.744 111.73 -126.213 25.1236 -52.1661 97.905 26.1464 -231.217 PRESSAVG: 643200 29.5631 -50.6772 -5.29544 -50.677 37.8302 23.2586 -5.29541 23.2587 -45.6426 GPRESSAVG: 643200 29.7904 -48.6549 -4.55779 -49.8345 37.4751 21.5842 -6.80447 24.8029 -45.7046 TIMING: 643200 CPU: 1915.53, 0.00295002/step Wall: 1915.53, 0.00295002/step, 3.57018 hours remaining, 206.035156 MB of memory in use. ENERGY: 643200 754.9168 2033.4751 1935.2164 109.8566 -206028.1225 17620.8244 0.0000 0.0000 34071.7120 -149502.1212 297.5567 -183573.8332 -149405.5280 298.2411 -112.2780 -79.1679 556260.5147 7.2502 7.1870 PRESSURE: 643400 378.968 -150.851 27.7636 -150.851 -60.0485 59.9574 27.762 59.9582 -43.6427 GPRESSURE: 643400 417.202 -231.888 -36.4668 -77.8046 18.4577 57.1068 63.0453 28.4306 -63.5186 PRESSAVG: 643400 -3.27613 -22.1963 -22.2744 -22.1964 24.0731 -29.0134 -22.2745 -29.0134 5.8958 GPRESSAVG: 643400 -4.46389 -21.7162 -22.7084 -22.3575 23.7077 -27.3799 -23.7225 -31.1624 7.1246 TIMING: 643400 CPU: 1916.12, 0.00295581/step Wall: 1916.12, 0.00295581/step, 3.57702 hours remaining, 206.035156 MB of memory in use. ENERGY: 643400 794.7914 2115.2045 1940.1579 117.3875 -206373.8260 17880.8389 0.0000 0.0000 34136.0849 -149389.3609 298.1189 -183525.4458 -149298.1936 298.9009 91.7589 124.0469 555265.1028 8.8976 8.7895 PRESSURE: 643600 170.792 -79.5662 53.4026 -79.5663 -26.2811 51.8446 53.4017 51.8447 -57.5129 GPRESSURE: 643600 258.884 -76.0034 22.5618 -141.162 -33.8867 111.794 23.2176 -2.84815 -23.0843 PRESSAVG: 643600 59.3785 -38.727 12.3078 -38.7269 -3.88439 35.1887 12.3078 35.1887 -59.1028 GPRESSAVG: 643600 59.4702 -39.6993 12.3698 -40.9025 -3.39729 34.6832 15.6104 36.2221 -59.0864 TIMING: 643600 CPU: 1916.72, 0.00297812/step Wall: 1916.72, 0.00297812/step, 3.60386 hours remaining, 206.035156 MB of memory in use. ENERGY: 643600 762.9445 2116.1584 1904.6846 106.3057 -206387.5893 17916.4438 0.0000 0.0000 34315.2680 -149265.7842 299.6838 -183581.0523 -149174.0173 299.4584 28.9993 67.3043 555587.1038 -1.2029 -1.0045 PRESSURE: 643800 104.747 78.8911 -92.0821 78.8914 -76.4679 98.6141 -92.0813 98.6127 64.4001 GPRESSURE: 643800 112.836 -8.6047 -14.603 92.6709 -15.4593 55.0155 -159.478 141.292 99.7332 PRESSAVG: 643800 36.7373 0.457588 31.6771 0.45763 -54.7409 8.24473 31.6771 8.24473 2.81662 GPRESSAVG: 643800 37.25 0.150561 31.7973 1.66285 -55.2074 6.13311 30.9571 10.4106 1.91968 TIMING: 643800 CPU: 1917.31, 0.00296535/step Wall: 1917.31, 0.00296535/step, 3.58824 hours remaining, 206.035156 MB of memory in use. ENERGY: 643800 762.4880 2102.1639 1924.1199 112.4012 -206106.0871 17731.8896 0.0000 0.0000 34007.2719 -149465.7526 296.9940 -183473.0245 -149376.4036 298.7805 30.8930 65.7034 556101.3590 -5.0623 -5.3459 PRESSURE: 644000 157.918 -102.73 44.1509 -102.73 -372.023 -62.4095 44.153 -62.4094 47.4718 GPRESSURE: 644000 142.814 -84.8481 5.39065 -142.342 -301.14 -15.8258 26.433 -152.129 87.228 PRESSAVG: 644000 -38.2798 0.703643 -15.5808 0.703732 3.17699 28.7472 -15.5809 28.7472 20.8036 GPRESSAVG: 644000 -38.9114 -0.600308 -14.7449 2.97548 3.32386 28.7187 -16.1497 28.0992 21.0644 TIMING: 644000 CPU: 1917.91, 0.00296192/step Wall: 1917.91, 0.00296192/step, 3.58392 hours remaining, 206.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 644000 739.5236 2070.1984 1915.2353 102.6644 -206360.1186 17848.0221 0.0000 0.0000 34205.4259 -149479.0489 298.7245 -183684.4748 -149381.8893 298.4563 -55.5442 -23.6995 557887.5328 -4.7664 -4.8410 PRESSURE: 644200 -55.1884 -27.4549 -340.416 -27.455 234.575 -164.482 -340.417 -164.481 193.797 GPRESSURE: 644200 6.25384 8.38657 -326.434 27.2031 307.18 -70.4578 -310.145 -238.582 153.592 PRESSAVG: 644200 56.4484 -5.66309 -58.851 -5.66314 5.29311 -0.398359 -58.8509 -0.398423 -34.5535 GPRESSAVG: 644200 57.4142 -2.87915 -60.3471 -7.7661 5.42783 0.569309 -58.5261 -0.86578 -35.3434 TIMING: 644200 CPU: 1918.5, 0.00295886/step Wall: 1918.5, 0.00295886/step, 3.58006 hours remaining, 206.035156 MB of memory in use. ENERGY: 644200 745.4784 2059.3194 1937.6214 113.6711 -206753.7281 18165.6176 0.0000 0.0000 34253.1819 -149478.8383 299.1416 -183732.0203 -149384.6386 298.2439 124.3943 155.6751 557763.2341 9.0627 9.1662 LDB: ============= START OF LOAD BALANCING ============== 1922.05 LDB: ============== END OF LOAD BALANCING =============== 1922.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1922.05 LDB: ============= START OF LOAD BALANCING ============== 1922.35 LDB: Largest compute 4774 load 0.028753 is 24.3% of average load 0.118085 LDB: Average compute 0.001735 is 1.5% of average load 0.118085 LDB: TIME 1922.35 LOAD: AVG 0.118085 MAX 0.203867 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.059 MB LDB: TIME 1922.35 LOAD: AVG 0.118085 MAX 0.203867 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.262 MB LDB: TIME 1922.35 LOAD: AVG 0.118085 MAX 0.203867 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.262 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1922.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1922.35 PRESSURE: 644400 -40.4809 15.8055 48.3759 15.8055 -226.144 57.0228 48.3754 57.0214 -135.666 GPRESSURE: 644400 -20.7575 -20.206 18.0516 4.53031 -148.242 41.2983 3.31415 43.9118 -147.217 PRESSAVG: 644400 13.3024 37.02 -85.5691 37.02 -2.57233 -31.488 -85.5691 -31.4881 -6.12374 GPRESSAVG: 644400 12.4388 34.544 -82.9464 38.4325 -2.97239 -30.4561 -84.8623 -32.7788 -5.53097 TIMING: 644400 CPU: 1919.1, 0.00303805/step Wall: 1919.1, 0.00303805/step, 3.6757 hours remaining, 207.058594 MB of memory in use. ENERGY: 644400 748.1484 2088.9463 1919.6765 118.4742 -206305.8580 17719.9484 0.0000 0.0000 34302.9112 -149407.7530 299.5759 -183710.6643 -149314.4661 298.3128 -134.0968 -105.4058 557544.2006 1.5354 1.3118 PRESSURE: 644600 -13.8336 21.5946 -71.9321 21.5935 169.571 -83.3148 -71.9328 -83.3146 160.778 GPRESSURE: 644600 7.27179 -14.1578 -90.0434 29.7905 219.904 -53.6365 -56.3015 -90.1184 181.555 PRESSAVG: 644600 -62.2475 9.15976 -13.0217 9.15971 16.164 -24.9047 -13.0217 -24.9047 45.1002 GPRESSAVG: 644600 -62.2954 10.811 -15.7179 8.67855 15.8954 -25.7402 -12.8483 -22.6639 44.7698 TIMING: 644600 CPU: 1919.7, 0.00296805/step Wall: 1919.7, 0.00296805/step, 3.59085 hours remaining, 207.261719 MB of memory in use. ENERGY: 644600 727.5884 2106.9968 1937.3934 113.6751 -206724.8138 18110.8612 0.0000 0.0000 34055.6833 -149672.6156 297.4168 -183728.2990 -149586.5403 297.5080 105.5052 136.2435 557909.9766 -0.3278 -0.5434 PRESSURE: 644800 -126.457 170.837 104.442 170.838 -330.223 -35.892 104.443 -35.8934 -89.6047 GPRESSURE: 644800 -82.3067 91.1668 174.832 116.43 -248.215 -18.622 60.0783 -61.5914 -114.945 PRESSAVG: 644800 -46.4338 19.6307 -26.9187 19.6307 -56.522 -60.9212 -26.9186 -60.9214 64.1185 GPRESSAVG: 644800 -45.3392 19.3598 -27.2347 17.9423 -57.0847 -59.887 -26.6969 -62.2604 63.9141 TIMING: 644800 CPU: 1920.29, 0.00296745/step Wall: 1920.29, 0.00296745/step, 3.58995 hours remaining, 207.261719 MB of memory in use. ENERGY: 644800 757.4673 2088.0772 1952.7336 112.5994 -206407.2045 17763.9865 0.0000 0.0000 34073.2198 -149659.1207 297.5699 -183732.3405 -149558.8455 298.1773 -182.0949 -148.4887 557908.4735 -12.9458 -12.8366 PRESSURE: 645000 103.357 7.67072 -58.9653 7.67139 53.1069 62.48 -58.9655 62.4789 -73.2381 GPRESSURE: 645000 165.926 -61.2221 -49.728 -6.09775 106.984 114.118 -54.9342 -37.3971 -97.7312 PRESSAVG: 645000 -46.351 -2.80132 23.0336 -2.80122 36.37 -64.1346 23.0336 -64.1346 -34.8084 GPRESSAVG: 645000 -48.1531 -3.35993 22.4939 -3.48863 37.085 -65.8768 22.4111 -62.5535 -33.5894 TIMING: 645000 CPU: 1920.89, 0.00298219/step Wall: 1920.89, 0.00298219/step, 3.60762 hours remaining, 207.261719 MB of memory in use. ENERGY: 645000 752.3196 2053.5274 1934.3000 105.9830 -206526.4412 17917.6667 0.0000 0.0000 34116.5618 -149646.0827 297.9484 -183762.6445 -149550.4889 297.2099 27.7419 58.3929 557317.5651 -14.9298 -14.8858 PRESSURE: 645200 -136.889 -16.3541 117.842 -16.3558 -51.9434 10.0712 117.842 10.0711 78.1706 GPRESSURE: 645200 -114.625 -9.57561 80.0573 -51.9528 25.3735 83.8373 140.336 -15.381 81.9961 PRESSAVG: 645200 4.93485 -4.36962 -20.6887 -4.36963 -2.37013 -16.7527 -20.6887 -16.7527 6.84718 GPRESSAVG: 645200 6.35829 -2.20695 -17.7761 -4.00938 -2.12887 -16.4557 -21.823 -18.4743 4.89371 TIMING: 645200 CPU: 1921.48, 0.00297984/step Wall: 1921.48, 0.00297984/step, 3.60462 hours remaining, 207.261719 MB of memory in use. ENERGY: 645200 700.7188 2068.0338 1951.7532 102.7866 -206312.7968 17700.8710 0.0000 0.0000 34122.7366 -149665.8968 298.0023 -183788.6334 -149567.7896 298.4973 -36.8874 -2.4184 557143.7243 3.1373 3.0410 PRESSURE: 645400 -211.698 162.193 -89.6869 162.192 21.9151 -207.46 -89.6867 -207.46 -13.8952 GPRESSURE: 645400 -211.815 103.87 -38.4576 219.348 61.3045 -85.7898 -118.317 -121.509 45.6623 PRESSAVG: 645400 -6.87025 63.9262 -16.6169 63.9261 53.2179 -42.3995 -16.617 -42.3994 -7.67275 GPRESSAVG: 645400 -8.8946 61.7448 -17.878 63.8096 53.6556 -42.1167 -14.7783 -41.4515 -6.41373 TIMING: 645400 CPU: 1922.08, 0.00297291/step Wall: 1922.08, 0.00297291/step, 3.59607 hours remaining, 207.261719 MB of memory in use. ENERGY: 645400 753.9080 2056.1853 1935.8823 120.7891 -206203.9540 17677.6767 0.0000 0.0000 34204.6531 -149454.8596 298.7177 -183659.5127 -149362.8854 298.3775 -67.8926 -34.9495 557278.2650 12.8916 12.7824 PRESSURE: 645600 31.063 63.9486 16.6872 63.9469 -69.1497 -23.3147 16.6852 -23.3149 31.8178 GPRESSURE: 645600 58.3239 83.9073 -12.0621 85.2628 -16.2041 -5.70624 -13.6526 30.9567 58.0067 PRESSAVG: 645600 13.5365 38.0475 -17.7065 38.0475 10.1826 -40.6144 -17.7066 -40.6144 7.27394 GPRESSAVG: 645600 13.326 38.0674 -20.7842 39.6093 10.9781 -39.9355 -17.5812 -40.0456 6.75345 TIMING: 645600 CPU: 1922.67, 0.00296209/step Wall: 1922.67, 0.00296209/step, 3.58281 hours remaining, 207.261719 MB of memory in use. ENERGY: 645600 703.2524 2100.5188 1945.0412 108.5736 -206029.8634 17781.5283 0.0000 0.0000 33802.6089 -149588.3403 295.2066 -183390.9492 -149491.9776 298.2783 -2.0897 33.3755 558223.4630 10.3310 10.3525 PRESSURE: 645800 -33.9196 17.621 62.3906 17.621 -21.0559 -128.111 62.391 -128.113 158.816 GPRESSURE: 645800 17.754 40.1745 47.9491 30.3339 30.4812 -54.9493 47.4722 -208.554 143.367 PRESSAVG: 645800 -79.6748 62.9818 -44.2747 62.9819 49.4253 19.1267 -44.2747 19.1268 37.0635 GPRESSAVG: 645800 -79.1874 63.406 -41.3299 62.6971 47.986 20.305 -45.8734 17.2794 37.8432 TIMING: 645800 CPU: 1923.27, 0.00297583/step Wall: 1923.27, 0.00297583/step, 3.59927 hours remaining, 207.261719 MB of memory in use. ENERGY: 645800 731.7099 2071.3173 1937.5788 93.2489 -206302.8984 17968.5151 0.0000 0.0000 34139.6459 -149360.8826 298.1500 -183500.5285 -149266.3950 297.9135 34.6133 63.8674 558235.3862 2.2713 2.2139 PRESSURE: 646000 90.9009 -92.6697 51.8662 -92.6692 234.617 51.1991 51.8658 51.1989 66.137 GPRESSURE: 646000 120.071 22.1285 -77.1855 -151.374 264.346 39.5894 119.467 72.9259 89.0061 PRESSAVG: 646000 24.4439 9.39764 7.48605 9.39761 -9.04675 19.0802 7.48617 19.0804 44.0203 GPRESSAVG: 646000 25.106 9.18727 5.34485 10.0055 -9.14829 19.0499 7.81887 17.6946 43.2232 TIMING: 646000 CPU: 1923.85, 0.00294204/step Wall: 1923.85, 0.00294204/step, 3.55823 hours remaining, 207.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 646000 699.5495 2111.9352 1933.6276 115.9040 -206242.7686 17855.4325 0.0000 0.0000 34125.0406 -149401.2792 298.0225 -183526.3198 -149308.2051 298.7556 130.5516 157.8077 557616.5242 19.8058 19.7270 PRESSURE: 646200 -37.3941 -100.517 -6.97046 -100.517 198.868 -59.2283 -6.97028 -59.2291 26.4257 GPRESSURE: 646200 25.2344 -190.759 21.7151 -62.961 181.213 -153.7 -40.2942 -15.3415 73.1455 PRESSAVG: 646200 85.143 -66.2861 45.3061 -66.2861 -23.0672 -1.37497 45.3061 -1.37515 -22.7531 GPRESSAVG: 646200 85.4285 -67.3055 46.3848 -66.6955 -22.153 -3.15157 44.993 0.875887 -23.4817 TIMING: 646200 CPU: 1924.44, 0.00295087/step Wall: 1924.44, 0.00295087/step, 3.56875 hours remaining, 207.261719 MB of memory in use. ENERGY: 646200 753.8305 2112.4828 1960.4741 108.9695 -206221.8017 17780.1934 0.0000 0.0000 33954.1350 -149551.7165 296.5299 -183505.8515 -149456.4020 298.7379 62.6332 93.1976 556633.6407 13.1076 13.2646 PRESSURE: 646400 -302.561 -104.214 -6.7371 -104.212 -157.781 -23.0652 -6.73733 -23.0649 9.8906 GPRESSURE: 646400 -225.677 -69.9264 6.3322 -186.739 -121.89 -19.5793 -10.2103 -63.0942 -4.58934 PRESSAVG: 646400 -44.5204 -37.3307 -17.2847 -37.3307 41.376 11.0833 -17.2847 11.0833 18.3102 GPRESSAVG: 646400 -45.0667 -36.7889 -16.299 -38.0682 40.1497 10.7856 -17.0499 13.2685 19.9506 TIMING: 646400 CPU: 1925.04, 0.00296438/step Wall: 1925.04, 0.00296438/step, 3.58493 hours remaining, 207.261719 MB of memory in use. ENERGY: 646400 735.5175 2071.7994 1937.2337 106.6294 -206205.9768 17533.6913 0.0000 0.0000 34130.5968 -149690.5087 298.0710 -183821.1055 -149598.3308 298.0572 -150.1502 -117.3852 557351.6890 5.0553 5.0112 PRESSURE: 646600 -67.8553 -19.134 -53.3051 -19.1335 63.3927 -169.642 -53.3049 -169.643 18.8228 GPRESSURE: 646600 -54.7933 -60.5336 -38.0116 81.2418 117.457 -150.161 -59.5888 -173.107 39.6509 PRESSAVG: 646600 -26.5002 2.45815 -3.22079 2.45811 -29.4215 -15.5368 -3.22077 -15.5367 14.1851 GPRESSAVG: 646600 -26.6848 2.24657 -3.79608 2.13904 -28.3592 -15.1504 -3.74703 -18.2037 13.0447 TIMING: 646600 CPU: 1925.63, 0.00296788/step Wall: 1925.63, 0.00296788/step, 3.58899 hours remaining, 207.261719 MB of memory in use. ENERGY: 646600 739.3172 2085.9113 1921.2489 110.2170 -206461.2597 17801.6874 0.0000 0.0000 34014.0764 -149788.8015 297.0534 -183802.8779 -149687.5474 297.3598 4.7867 34.1048 557525.3780 -13.9122 -13.9998 PRESSURE: 646800 -159.348 127.685 119.669 127.684 -253.192 28.807 119.668 28.808 -296.218 GPRESSURE: 646800 -147.895 16.0391 65.8994 119.589 -226.338 52.6666 138.195 30.7095 -225.394 PRESSAVG: 646800 -5.98495 -8.60035 -16.9731 -8.60034 -4.70358 -50.0721 -16.973 -50.0721 12.1536 GPRESSAVG: 646800 -6.44401 -6.74007 -18.1972 -9.20908 -4.72605 -51.2381 -16.1855 -47.8768 13.0801 TIMING: 646800 CPU: 1926.22, 0.00296867/step Wall: 1926.22, 0.00296867/step, 3.58978 hours remaining, 207.261719 MB of memory in use. ENERGY: 646800 745.1595 2007.3043 1960.7723 113.7117 -206390.0125 17695.3942 0.0000 0.0000 34165.7151 -149701.9555 298.3777 -183867.6705 -149607.4567 297.6940 -236.2527 -199.8756 558099.9051 0.4884 0.6367 PRESSURE: 647000 101.298 -53.819 -109.262 -53.8184 148.01 -219.388 -109.261 -219.387 49.1428 GPRESSURE: 647000 113.496 -31.4394 -102.914 0.637969 197.169 -204.618 -63.0344 -302.616 88.7076 PRESSAVG: 647000 -72.4038 -20.58 5.61485 -20.5798 3.86182 33.1508 5.61496 33.1508 8.41371 GPRESSAVG: 647000 -73.2233 -22.3381 6.82008 -18.8119 3.58664 34.1711 4.12186 29.7404 8.89354 TIMING: 647000 CPU: 1926.82, 0.00296862/step Wall: 1926.82, 0.00296862/step, 3.58955 hours remaining, 207.261719 MB of memory in use. ENERGY: 647000 761.9862 2013.4248 1929.7546 111.7293 -206663.1308 18054.1741 0.0000 0.0000 34118.9007 -149673.1611 297.9688 -183792.0618 -149577.6913 297.4175 99.4835 133.1242 555733.3379 -20.0427 -20.2477 PRESSURE: 647200 -201.882 21.7709 -8.99154 21.7692 -104.571 -32.9122 -8.99197 -32.9113 -68.205 GPRESSURE: 647200 -176.84 12.7418 25.6126 -12.0157 -70.3958 -21.7161 40.2506 -35.1621 -17.386 PRESSAVG: 647200 -38.0934 -29.6544 45.072 -29.6546 43.1245 -31.1216 45.072 -31.1217 9.5289 GPRESSAVG: 647200 -36.8499 -30.5401 45.1978 -29.1125 43.3539 -30.4863 46.5335 -28.7154 7.74911 TIMING: 647200 CPU: 1927.42, 0.00298195/step Wall: 1927.42, 0.00298195/step, 3.60551 hours remaining, 207.261719 MB of memory in use. ENERGY: 647200 723.0845 2091.1906 1899.9720 107.1726 -206548.3777 17796.8319 0.0000 0.0000 34178.7733 -149751.3528 298.4917 -183930.1261 -149660.1443 297.9608 -124.8862 -88.2073 557148.2631 4.8533 4.7510 PRESSURE: 647400 -382.769 -13.2439 26.4626 -13.2433 -207.379 7.73266 26.463 7.73361 -213.052 GPRESSURE: 647400 -345.997 -37.2768 -123.836 54.1541 -128.064 -1.89549 77.6244 59.576 -210.257 PRESSAVG: 647400 -95.9078 -14.9511 26.9942 -14.9511 60.616 -0.148568 26.9942 -0.148564 -0.91684 GPRESSAVG: 647400 -96.5594 -15.6673 26.6715 -15.5225 61.1879 -1.84549 27.8555 0.686646 -1.11124 TIMING: 647400 CPU: 1928.01, 0.00298923/step Wall: 1928.01, 0.00298923/step, 3.61414 hours remaining, 207.261719 MB of memory in use. ENERGY: 647400 757.4759 2092.8224 1911.5915 116.3615 -205919.0965 17433.3404 0.0000 0.0000 34162.7075 -149444.7973 298.3514 -183607.5048 -149341.2596 297.7996 -267.7333 -228.1060 557190.9567 -12.0696 -12.1609 PRESSURE: 647600 236.153 34.7218 85.1513 34.7214 33.6494 -93.3127 85.1495 -93.3135 147.05 GPRESSURE: 647600 217.771 50.5848 5.60378 27.2514 110.86 -105.567 124.563 -95.5527 191.655 PRESSAVG: 647600 -1.81082 -29.2969 -5.1463 -29.2969 24.0247 -48.7011 -5.14619 -48.701 -15.5831 GPRESSAVG: 647600 -2.72908 -27.1532 -6.50504 -29.9014 24.4726 -49.8779 -4.66186 -48.8365 -14.7205 TIMING: 647600 CPU: 1928.61, 0.00296934/step Wall: 1928.61, 0.00296934/step, 3.58994 hours remaining, 207.261719 MB of memory in use. ENERGY: 647600 748.0041 2091.7162 1956.1233 116.6515 -206801.8605 18209.7950 0.0000 0.0000 34377.3748 -149302.1955 300.2262 -183679.5703 -149207.2195 299.3273 138.9509 173.4285 555061.1461 2.2103 2.3410 PRESSURE: 647800 10.7693 32.0753 -99.5428 32.0749 -245.319 184.59 -99.5442 184.59 -220.337 GPRESSURE: 647800 55.7759 12.1561 -135.395 49.2954 -203.758 113.602 -14.6099 186.398 -206.442 PRESSAVG: 647800 -22.8792 -8.82492 4.84236 -8.8249 -8.9018 36.9396 4.84237 36.9396 10.7566 GPRESSAVG: 647800 -21.2828 -10.0492 6.3769 -8.13269 -10.8858 38.252 4.57285 35.8799 10.7616 TIMING: 647800 CPU: 1929.2, 0.00298507/step Wall: 1929.2, 0.00298507/step, 3.60878 hours remaining, 207.261719 MB of memory in use. ENERGY: 647800 775.9411 2059.2121 1948.9938 114.5183 -205833.4139 17434.8490 0.0000 0.0000 34349.0228 -149150.8768 299.9786 -183499.8996 -149056.2306 299.8782 -151.6289 -118.1415 556225.1387 -7.0081 -7.1357 PRESSURE: 648000 -128.557 221.503 -150.397 221.502 -152.409 21.2334 -150.397 21.2349 -89.7805 GPRESSURE: 648000 -200.451 184.056 -130.263 168.36 -104.999 -1.02035 -194.815 -45.4521 42.9607 PRESSAVG: 648000 -22.3069 76.5937 20.8759 76.5937 -3.79666 -17.6956 20.8759 -17.6957 25.1578 GPRESSAVG: 648000 -23.6503 78.2299 21.3874 75.4945 -3.19663 -17.266 19.9845 -16.7268 26.348 TIMING: 648000 CPU: 1929.8, 0.00299522/step Wall: 1929.8, 0.00299522/step, 3.62089 hours remaining, 207.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 648000 776.7374 2119.0928 1944.0830 113.9109 -206322.1084 17828.7460 0.0000 0.0000 34287.7956 -149251.7428 299.4438 -183539.5383 -149160.8367 299.2274 -123.5821 -87.4965 554990.6134 -0.3152 -0.1663 PRESSURE: 648200 99.2651 -94.8977 17.3998 -94.8981 22.1146 141.213 17.3995 141.214 230.337 GPRESSURE: 648200 145.401 -74.7619 57.3418 -135.363 13.6209 251.089 22.2099 34.313 287.073 PRESSAVG: 648200 -4.63332 -1.70701 7.03047 -1.70702 -20.2804 -17.5181 7.0304 -17.5182 35.5381 GPRESSAVG: 648200 -4.41162 -1.8224 7.17744 -1.63588 -20.5028 -16.605 5.46141 -19.3365 35.1623 TIMING: 648200 CPU: 1930.41, 0.00301795/step Wall: 1930.41, 0.00301795/step, 3.64819 hours remaining, 207.261719 MB of memory in use. ENERGY: 648200 759.3288 2087.1806 1925.5834 111.4405 -206510.6689 17946.5173 0.0000 0.0000 34381.9250 -149298.6933 300.2659 -183680.6183 -149206.6116 300.6155 117.2389 148.6982 556024.2429 3.5415 3.4160 LDB: ============= START OF LOAD BALANCING ============== 1933.96 LDB: ============== END OF LOAD BALANCING =============== 1933.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1933.96 LDB: ============= START OF LOAD BALANCING ============== 1934.26 LDB: Largest compute 4774 load 0.028117 is 23.8% of average load 0.118140 LDB: Average compute 0.001732 is 1.5% of average load 0.118140 LDB: TIME 1934.26 LOAD: AVG 0.11814 MAX 0.207852 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.059 MB LDB: TIME 1934.26 LOAD: AVG 0.11814 MAX 0.207852 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.059 MB LDB: TIME 1934.26 LOAD: AVG 0.11814 MAX 0.207852 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.059 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1934.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1934.27 PRESSURE: 648400 113.687 -28.3656 8.85328 -28.365 151.434 -18.3686 8.85384 -18.3699 72.7416 GPRESSURE: 648400 113.336 -62.9181 -2.69308 -52.8821 179.047 -53.0696 13.179 -18.9083 142.242 PRESSAVG: 648400 35.0031 3.66936 -18.6644 3.66935 16.005 -51.4703 -18.6644 -51.4703 -35.9932 GPRESSAVG: 648400 34.4543 4.01533 -19.5876 3.45065 17.3721 -51.8174 -17.5675 -50.8355 -36.7165 TIMING: 648400 CPU: 1931.02, 0.0030551/step Wall: 1931.02, 0.0030551/step, 3.69294 hours remaining, 206.347656 MB of memory in use. ENERGY: 648400 738.3294 2103.3701 1953.3152 121.2387 -206184.0217 17774.7888 0.0000 0.0000 34402.9235 -149090.0561 300.4493 -183492.9795 -148999.7683 299.4453 112.6208 144.8750 557045.5201 5.0050 5.0366 PRESSURE: 648600 -115.677 85.0265 -46.0374 85.0271 -98.8859 -71.6049 -46.0384 -71.6029 -204.87 GPRESSURE: 648600 -67.9481 72.7795 -2.36104 64.6919 -59.4376 -52.9154 -83.9072 -41.9232 -201.512 PRESSAVG: 648600 35.0427 -3.56111 -20.4545 -3.56109 -12.3831 -65.2432 -20.4545 -65.243 31.5237 GPRESSAVG: 648600 36.4022 -2.88408 -18.7699 -3.94647 -13.6464 -66.3191 -18.5761 -62.7096 31.9971 TIMING: 648600 CPU: 1931.61, 0.00298108/step Wall: 1931.61, 0.00298108/step, 3.60329 hours remaining, 206.347656 MB of memory in use. ENERGY: 648600 755.8673 2085.9494 1932.9582 116.9892 -206091.5431 17655.1592 0.0000 0.0000 34384.1550 -149160.4649 300.2854 -183544.6198 -149064.1018 299.8448 -139.8112 -109.6327 558836.4170 18.0611 18.2510 PRESSURE: 648800 -170.275 -2.30363 76.491 -2.30429 349.764 8.88299 76.4902 8.88288 171.837 GPRESSURE: 648800 -105.627 85.3131 57.3332 -39.429 330.661 -83.3459 100.869 82.2904 210.051 PRESSAVG: 648800 61.3094 24.8002 -27.273 24.8003 -0.601993 -28.6961 -27.2729 -28.6962 -32.0353 GPRESSAVG: 648800 61.9789 23.4008 -28.6479 23.7382 -1.52385 -28.0385 -29.6711 -29.0855 -32.2059 TIMING: 648800 CPU: 1932.2, 0.00295548/step Wall: 1932.2, 0.00295548/step, 3.57218 hours remaining, 206.347656 MB of memory in use. ENERGY: 648800 761.6664 2169.0539 1933.5441 108.9566 -206214.2287 18003.6670 0.0000 0.0000 34206.8100 -149030.5306 298.7366 -183237.3407 -148937.9883 299.8742 117.1089 145.0284 559063.2606 9.5574 9.4164 PRESSURE: 649000 107.866 132.827 -100.734 132.827 -135.379 -12.6206 -100.733 -12.6194 -103.083 GPRESSURE: 649000 130.697 199.921 -12.7763 121.777 -46.0119 51.7613 -190.243 -57.2198 -127.156 PRESSAVG: 649000 40.906 10.2098 -4.70923 10.2098 4.47838 -30.8607 -4.70921 -30.8606 -13.3516 GPRESSAVG: 649000 39.285 10.206 -4.56771 12.0244 6.02771 -29.0326 -3.62549 -34.6157 -12.8836 TIMING: 649000 CPU: 1932.8, 0.00297389/step Wall: 1932.8, 0.00297389/step, 3.59428 hours remaining, 206.347656 MB of memory in use. ENERGY: 649000 729.3691 2112.3163 1935.7408 121.6440 -206054.2478 17883.5929 0.0000 0.0000 34402.8958 -148868.6890 300.4490 -183271.5848 -148771.2418 300.5920 -43.5318 -14.1570 559124.1951 10.6776 10.8097 PRESSURE: 649200 -69.1809 87.9726 -81.1104 87.9725 205.798 138.821 -81.1117 138.82 26.2705 GPRESSURE: 649200 -69.9868 38.4393 -109.574 123.954 228.557 108.63 -36.9216 163.347 105.302 PRESSAVG: 649200 26.179 -11.296 -9.09856 -11.2961 60.4449 -12.4021 -9.0985 -12.4023 -49.9147 GPRESSAVG: 649200 25.4891 -12.0988 -8.65615 -10.2239 60.5363 -12.5043 -9.57914 -10.3876 -49.9131 TIMING: 649200 CPU: 1933.39, 0.00296868/step Wall: 1933.39, 0.00296868/step, 3.58782 hours remaining, 206.347656 MB of memory in use. ENERGY: 649200 775.5236 2111.4656 1953.9111 103.2987 -206032.5282 17910.4147 0.0000 0.0000 34368.4055 -148809.5090 300.1478 -183177.9145 -148723.7863 301.2711 54.2959 87.9575 558378.7190 12.2364 12.0374 PRESSURE: 649400 139.454 33.7005 97.8582 33.7007 -79.5688 95.9783 97.8573 95.9799 68.5497 GPRESSURE: 649400 166.024 -24.1114 51.4299 5.13991 -44.8215 129.258 105.263 55.6737 114.047 PRESSAVG: 649400 -23.6493 16.7377 29.0725 16.7377 -66.4217 35.1511 29.0725 35.1512 106.289 GPRESSAVG: 649400 -22.8697 18.057 27.4894 13.3234 -66.5633 36.1152 30.1302 34.2761 105.252 TIMING: 649400 CPU: 1933.98, 0.00295224/step Wall: 1933.98, 0.00295224/step, 3.56778 hours remaining, 206.347656 MB of memory in use. ENERGY: 649400 750.9394 2085.2080 1924.7731 115.7020 -206018.5835 18043.3563 0.0000 0.0000 34317.9188 -148780.6859 299.7069 -183098.6047 -148681.1129 300.3385 42.8116 78.4165 557859.2027 5.4060 5.2729 PRESSURE: 649600 -17.1752 97.6914 -35.9789 97.6917 212.826 57.9395 -35.9768 57.9403 -106.054 GPRESSURE: 649600 50.6098 98.124 -37.9196 78.7442 203.083 -34.2257 18.2317 78.833 -55.1932 PRESSAVG: 649600 39.4064 38.1315 21.739 38.1315 -14.7832 10.6109 21.739 10.6109 -55.4347 GPRESSAVG: 649600 39.3102 39.1154 22.645 39.7501 -14.6968 9.0134 22.8188 11.9954 -54.9873 TIMING: 649600 CPU: 1934.58, 0.00298661/step Wall: 1934.58, 0.00298661/step, 3.60915 hours remaining, 206.347656 MB of memory in use. ENERGY: 649600 725.9606 2059.3385 1911.5537 111.5686 -205747.5872 17690.0023 0.0000 0.0000 34613.6846 -148635.4790 302.2899 -183249.1636 -148533.2662 300.2117 29.8656 66.1665 557753.9804 -10.2705 -10.1246 PRESSURE: 649800 99.5891 -33.9751 24.9388 -33.9737 49.6082 90.132 24.9374 90.1318 -28.1811 GPRESSURE: 649800 100.262 -10.3935 -3.18386 -43.5715 149.056 99.739 -13.705 156.187 -18.2218 PRESSAVG: 649800 -4.45343 31.2697 -32.3327 31.2697 40.7832 47.117 -32.3327 47.1169 -42.0473 GPRESSAVG: 649800 -5.44721 29.2739 -31.2989 33.7821 40.4039 43.7846 -31.7329 48.9222 -41.1422 TIMING: 649800 CPU: 1935.18, 0.00297695/step Wall: 1935.18, 0.00297695/step, 3.59732 hours remaining, 206.347656 MB of memory in use. ENERGY: 649800 728.3798 2091.5440 1960.6703 104.1574 -206006.9290 17835.5312 0.0000 0.0000 34618.3283 -148668.3179 302.3305 -183286.6462 -148573.5685 301.3181 40.3387 77.0321 558091.0533 -1.9059 -2.0618 PRESSURE: 650000 73.2488 99.0975 -53.0782 99.0971 141.742 44.8737 -53.0795 44.8751 -63.899 GPRESSURE: 650000 136.679 70.3316 -62.4789 177.352 178.751 4.53681 -33.4928 127.669 -71.2074 PRESSAVG: 650000 16.0098 -3.00241 -10.8964 -3.00237 61.2668 32.4307 -10.8963 32.4306 -12.621 GPRESSAVG: 650000 16.8847 -1.82037 -13.5223 -4.69613 62.9898 36.5505 -11.5067 30.177 -14.5915 TIMING: 650000 CPU: 1935.77, 0.00298295/step Wall: 1935.77, 0.00298295/step, 3.6044 hours remaining, 206.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 650000 732.0378 2091.5777 1937.4018 118.0959 -205608.9422 17712.8457 0.0000 0.0000 34599.8320 -148417.1513 302.1689 -183016.9832 -148322.6901 301.8394 50.3640 81.4075 558213.4678 21.5519 21.7610 PRESSURE: 650200 -27.7038 131.084 69.5304 131.084 61.8684 8.83166 69.5307 8.83216 -41.4441 GPRESSURE: 650200 -43.4001 112.221 5.08014 124.179 117.294 32.9927 17.3417 -59.4208 3.79593 PRESSAVG: 650200 -15.0671 12.2318 -7.62296 12.2319 75.6582 23.7731 -7.62286 23.7732 -24.6799 GPRESSAVG: 650200 -15.0591 13.5605 -6.14392 10.1098 74.2228 21.6971 -8.38796 24.6385 -23.3005 TIMING: 650200 CPU: 1936.37, 0.00299706/step Wall: 1936.37, 0.00299706/step, 3.62128 hours remaining, 206.347656 MB of memory in use. ENERGY: 650200 762.4552 2159.7156 1954.7602 107.2707 -205465.1992 17596.4664 0.0000 0.0000 34446.5569 -148437.9743 300.8303 -182884.5312 -148337.0291 301.9029 -2.4265 25.8965 557768.5897 11.9704 11.9544 PRESSURE: 650400 -81.9828 -61.715 -82.4667 -61.7139 -177.41 -104.831 -82.4659 -104.829 -301.044 GPRESSURE: 650400 -73.3399 44.7135 -19.7282 -127.02 -129.826 -134.913 -156.577 -92.85 -258.487 PRESSAVG: 650400 -48.1188 4.57164 5.08762 4.5717 24.4798 15.8635 5.08771 15.8634 4.96435 GPRESSAVG: 650400 -49.1885 3.73343 6.33225 5.35019 25.0428 15.4378 5.79464 17.3731 5.1817 TIMING: 650400 CPU: 1936.97, 0.0029977/step Wall: 1936.97, 0.0029977/step, 3.62189 hours remaining, 206.347656 MB of memory in use. ENERGY: 650400 766.2852 2097.3431 1913.6009 116.5244 -205287.1314 17369.3285 0.0000 0.0000 34533.4125 -148490.6368 301.5889 -183024.0493 -148396.6834 301.2355 -186.8124 -153.8844 558917.8076 -6.2249 -6.3213 PRESSURE: 650600 -125.237 144.459 -103.436 144.459 -273.745 132.455 -103.436 132.454 -14.9936 GPRESSURE: 650600 -95.0433 145.052 -125.557 146.067 -216.399 161.414 -180.096 216.535 -8.93086 PRESSAVG: 650600 -26.1267 -9.72099 -0.841009 -9.721 46.5811 11.0932 -0.840964 11.0934 -18.9019 GPRESSAVG: 650600 -25.5982 -8.1161 -0.855405 -8.14065 45.1285 14.926 -2.0336 10.2748 -17.9259 TIMING: 650600 CPU: 1937.57, 0.00299985/step Wall: 1937.57, 0.00299985/step, 3.62432 hours remaining, 206.347656 MB of memory in use. ENERGY: 650600 748.5654 2111.4819 1922.1572 106.8100 -205912.8905 17695.5207 0.0000 0.0000 34714.1737 -148614.1816 303.1675 -183328.3553 -148518.2100 301.1813 -137.9918 -106.7910 558588.4838 0.5175 0.5348 PRESSURE: 650800 38.6305 93.6511 -182.334 93.6515 103.766 -23.3855 -182.335 -23.385 -67.1553 GPRESSURE: 650800 48.8312 172.358 -141.369 24.9886 130.265 -24.4866 -161.597 -8.41649 -18.5216 PRESSAVG: 650800 -13.0439 31.7073 -38.5158 31.7073 26.9088 36.9406 -38.5158 36.9406 4.39151 GPRESSAVG: 650800 -13.6072 30.3129 -37.6632 30.1012 28.4761 35.2807 -39.3342 35.3917 3.71724 TIMING: 650800 CPU: 1938.18, 0.00302455/step Wall: 1938.18, 0.00302455/step, 3.65399 hours remaining, 206.347656 MB of memory in use. ENERGY: 650800 733.9816 2068.0911 1901.7423 112.4288 -205844.9687 17886.9585 0.0000 0.0000 34297.5186 -148844.2477 299.5288 -183141.7663 -148748.0263 300.0925 25.0804 53.5247 557256.1954 6.0855 6.1954 PRESSURE: 651000 -6.29762 117.805 80.6851 117.805 -89.9055 -54.6592 80.6849 -54.6616 36.8415 GPRESSURE: 651000 -16.27 72.1135 95.3569 77.8894 -33.3527 -113.212 53.1456 -87.8519 87.0829 PRESSAVG: 651000 24.5608 18.4749 -79.1799 18.475 -17.2792 0.0565083 -79.1799 0.0565079 22.8176 GPRESSAVG: 651000 24.6123 19.6609 -79.8949 18.8187 -16.9748 -1.41359 -79.9935 0.840189 22.8096 TIMING: 651000 CPU: 1938.78, 0.00302238/step Wall: 1938.78, 0.00302238/step, 3.6512 hours remaining, 206.347656 MB of memory in use. ENERGY: 651000 747.1247 2053.3989 1942.7038 107.6869 -205874.7245 17755.1801 0.0000 0.0000 34439.2944 -148829.3357 300.7669 -183268.6301 -148732.2910 300.3379 -19.7872 12.4867 558757.2035 10.0331 10.1490 PRESSURE: 651200 264.453 -128.066 14.0522 -128.065 251.527 -167.079 14.0528 -167.08 204.928 GPRESSURE: 651200 216.376 -112.593 -132.485 -71.8548 383.088 -127.703 5.02247 -176.347 227.469 PRESSAVG: 651200 -3.26905 48.3016 -54.3694 48.3015 29.449 -49.664 -54.3694 -49.6641 5.60341 GPRESSAVG: 651200 -2.87564 48.1313 -54.606 49.4249 29.3051 -48.547 -53.8819 -49.7658 5.20763 TIMING: 651200 CPU: 1939.38, 0.00297597/step Wall: 1939.38, 0.00297597/step, 3.59497 hours remaining, 206.347656 MB of memory in use. ENERGY: 651200 701.2997 2023.8886 1951.9396 98.3542 -206344.4425 18183.0141 0.0000 0.0000 34508.3676 -148877.5787 301.3702 -183385.9463 -148779.7436 300.7291 240.3025 275.6444 557592.1651 10.5944 10.5457 PRESSURE: 651400 -49.2446 3.48446 227.534 3.48361 -25.7389 -61.9721 227.533 -61.9716 198.408 GPRESSURE: 651400 3.78041 25.9051 106.08 -25.3736 -21.6267 -4.88924 237.883 -15.2619 233.042 PRESSAVG: 651400 41.0083 8.62284 -16.1207 8.62273 -18.2662 -7.79945 -16.1208 -7.79943 -3.38228 GPRESSAVG: 651400 40.4502 6.94147 -17.6402 7.24351 -17.7771 -7.9094 -14.6923 -8.79233 -3.13836 TIMING: 651400 CPU: 1939.97, 0.00295799/step Wall: 1939.97, 0.00295799/step, 3.57309 hours remaining, 206.472656 MB of memory in use. ENERGY: 651400 753.2204 2113.6088 1951.2529 110.9574 -206015.6572 17820.2911 0.0000 0.0000 34217.3568 -149048.9697 298.8287 -183266.3265 -148954.0624 300.1683 41.1414 71.7319 557538.7310 6.4533 6.5116 PRESSURE: 651600 211.203 66.112 -21.2884 66.1116 101.635 47.2206 -21.2883 47.2223 -166.181 GPRESSURE: 651600 186.49 48.548 -50.3606 16.2103 141.451 -28.1627 -41.374 101.173 -93.8013 PRESSAVG: 651600 -1.07526 14.7425 -13.4595 14.7424 -11.0503 55.4432 -13.4595 55.4432 -2.24322 GPRESSAVG: 651600 -0.483423 13.5955 -12.133 16.0809 -11.2254 57.1177 -13.0334 54.6747 -3.40718 TIMING: 651600 CPU: 1940.56, 0.00296773/step Wall: 1940.56, 0.00296773/step, 3.58469 hours remaining, 206.472656 MB of memory in use. ENERGY: 651600 719.0555 2097.7899 1923.9718 111.8949 -206275.9017 17938.6637 0.0000 0.0000 34384.2166 -149100.3093 300.2859 -183484.5259 -148999.7777 299.7080 48.8856 78.0464 557820.0427 -4.7896 -5.0387 PRESSURE: 651800 -31.898 -21.0848 5.86185 -21.0842 -305.849 6.71628 5.86181 6.71743 -40.901 GPRESSURE: 651800 6.81821 -41.6516 9.66199 -19.8636 -333.317 24.8785 -16.1017 -57.7015 20.2425 PRESSAVG: 651800 -4.72729 8.20494 10.3373 8.20497 35.7945 58.8185 10.3373 58.8186 -8.8704 GPRESSAVG: 651800 -4.97693 9.83307 12.0465 6.53191 35.3836 57.6504 9.31907 59.666 -7.53463 TIMING: 651800 CPU: 1941.16, 0.00297409/step Wall: 1941.16, 0.00297409/step, 3.59221 hours remaining, 206.472656 MB of memory in use. ENERGY: 651800 764.4842 2112.9576 1912.2921 112.1001 -206024.0160 17649.6356 0.0000 0.0000 34301.0143 -149171.5321 299.5593 -183472.5464 -149067.5631 298.9621 -126.2161 -102.0855 558990.9237 7.3989 7.6240 PRESSURE: 652000 82.8429 87.9923 53.5009 87.9918 -204.467 12.7286 53.5017 12.73 -73.6998 GPRESSURE: 652000 127.256 25.3833 69.4517 91.6477 -181.995 3.4934 49.2475 33.2017 -47.0864 PRESSAVG: 652000 -38.7531 -23.6338 59.7777 -23.6339 -49.0339 4.72404 59.7775 4.72405 22.3022 GPRESSAVG: 652000 -38.6183 -24.1485 59.6808 -22.2802 -49.6063 4.74177 59.6078 4.35264 23.3066 TIMING: 652000 CPU: 1941.75, 0.00295175/step Wall: 1941.75, 0.00295175/step, 3.56506 hours remaining, 206.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 652000 772.4006 2063.9547 1950.6774 119.5282 -206196.3027 17894.0706 0.0000 0.0000 34316.4608 -149079.2103 299.6942 -183395.6710 -148986.6111 298.6272 -65.1078 -33.9419 557728.6180 -21.8283 -21.6393 PRESSURE: 652200 60.3515 -17.906 -46.0483 -17.9055 160.149 -29.3176 -46.0479 -29.3197 228.457 GPRESSURE: 652200 84.1426 -3.47939 -125.451 57.5248 178.74 -16.1097 -19.0227 38.247 277.133 PRESSAVG: 652200 36.0349 1.03172 0.695875 1.03173 -73.4867 -42.5272 0.695901 -42.5272 49.3949 GPRESSAVG: 652200 36.2895 1.12075 -1.01522 0.130615 -72.5301 -42.0107 0.885226 -39.8548 48.2253 TIMING: 652200 CPU: 1942.34, 0.00296334/step Wall: 1942.34, 0.00296334/step, 3.57889 hours remaining, 206.472656 MB of memory in use. ENERGY: 652200 723.6356 2157.4872 1911.9721 119.0574 -206261.5088 18072.1979 0.0000 0.0000 34146.1058 -149131.0529 298.2064 -183277.1587 -149036.9388 299.5373 149.6527 180.0053 559279.9662 3.9810 3.9949 LDB: ============= START OF LOAD BALANCING ============== 1945.89 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1945.89 LDB: =============== DONE WITH MIGRATION ================ 1945.89 LDB: ============= START OF LOAD BALANCING ============== 1946.19 LDB: Largest compute 4774 load 0.029119 is 24.7% of average load 0.118021 LDB: Average compute 0.001726 is 1.5% of average load 0.118021 LDB: TIME 1946.19 LOAD: AVG 0.118021 MAX 0.204956 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.758 MB LDB: TIME 1946.19 LOAD: AVG 0.118021 MAX 0.204956 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.758 MB LDB: TIME 1946.19 LOAD: AVG 0.118021 MAX 0.204956 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1946.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1946.2 PRESSURE: 652400 -300.056 66.1312 -15.1872 66.1305 -170.046 -115.403 -15.1875 -115.403 151.731 GPRESSURE: 652400 -317.927 44.6673 -75.0553 118.002 -149.606 -172.13 -94.3394 -6.34868 243.193 PRESSAVG: 652400 36.0077 -0.873092 -5.58557 -0.873129 -34.3006 32.5303 -5.58549 32.5303 13.1906 GPRESSAVG: 652400 35.4407 0.491725 -6.11933 0.757469 -33.7378 33.0518 -6.62346 29.9406 13.691 TIMING: 652400 CPU: 1942.95, 0.00303495/step Wall: 1942.95, 0.00303495/step, 3.66521 hours remaining, 206.347656 MB of memory in use. ENERGY: 652400 805.5555 1990.8361 1937.0510 123.8362 -205845.1023 17734.1559 0.0000 0.0000 34191.4001 -149062.2675 298.6020 -183253.6676 -148968.1397 299.0147 -106.1235 -74.7799 558307.8863 4.9659 5.1313 PRESSURE: 652600 14.956 4.33121 140.876 4.3304 -34.7743 28.1264 140.875 28.1264 242.906 GPRESSURE: 652600 60.2979 22.9938 51.0126 -50.3833 -42.8441 -18.3276 148.854 105.456 312.578 PRESSAVG: 652600 54.9584 25.0329 -3.26992 25.0329 -50.6638 -13.0577 -3.26989 -13.0578 4.79358 GPRESSAVG: 652600 55.428 23.8285 -3.12327 23.399 -52.465 -12.4405 -1.90941 -12.6695 6.0481 TIMING: 652600 CPU: 1943.54, 0.00297734/step Wall: 1943.54, 0.00297734/step, 3.59547 hours remaining, 206.347656 MB of memory in use. ENERGY: 652600 712.1463 2118.2963 1920.6835 108.8531 -206351.9739 17922.8895 0.0000 0.0000 34358.6733 -149210.4319 300.0628 -183569.1052 -149110.9009 299.5427 74.3627 110.0105 558312.5859 3.0294 3.0037 PRESSURE: 652800 -85.5471 46.0001 -10.4606 46.0001 -83.321 0.751483 -10.4604 0.751636 -76.3439 GPRESSURE: 652800 -24.7415 25.6972 -100.634 63.066 17.1693 50.0452 -24.4437 23.025 -138.953 PRESSAVG: 652800 -25.6616 39.4306 -4.12282 39.4306 39.4361 1.72098 -4.12286 1.72092 -11.5699 GPRESSAVG: 652800 -26.3653 39.4489 -4.08062 42.6571 40.6431 0.209422 -3.27851 3.95251 -12.3005 TIMING: 652800 CPU: 1944.14, 0.00299881/step Wall: 1944.14, 0.00299881/step, 3.62123 hours remaining, 206.347656 MB of memory in use. ENERGY: 652800 747.8013 2126.7662 1956.1411 114.4660 -206460.1845 17759.3576 0.0000 0.0000 34523.7584 -149231.8938 301.5046 -183755.6522 -149142.5112 299.8605 -81.7373 -48.8416 557606.1439 0.7349 0.6591 PRESSURE: 653000 -151.653 93.3827 -7.04597 93.3821 35.036 72.4564 -7.04567 72.456 -113.208 GPRESSURE: 653000 -153.854 -42.2905 -23.81 97.6363 64.7977 -41.3513 54.2484 174.398 -53.9397 PRESSAVG: 653000 13.9434 34.1374 34.8806 34.1374 -33.5107 4.87508 34.8806 4.87503 27.1057 GPRESSAVG: 653000 13.8444 33.6356 36.3856 33.1658 -33.6573 7.70135 34.1519 1.80766 27.5872 TIMING: 653000 CPU: 1944.73, 0.00295939/step Wall: 1944.73, 0.00295939/step, 3.57346 hours remaining, 206.347656 MB of memory in use. ENERGY: 653000 750.3818 2094.6728 1924.8847 106.9967 -206307.1736 17735.3595 0.0000 0.0000 34350.1385 -149344.7396 299.9883 -183694.8781 -149242.6005 299.6784 -76.6084 -47.6654 557458.4010 2.5128 2.5914 PRESSURE: 653200 -93.3362 -24.7701 50.944 -24.7705 29.2251 -115.792 50.9439 -115.793 -95.4356 GPRESSURE: 653200 -21.6178 -12.3926 52.8534 -71.474 24.5832 -159.349 -13.9323 -78.0662 -54.3513 PRESSAVG: 653200 -32.6851 -6.55238 -11.5672 -6.55249 34.778 -4.74739 -11.5673 -4.74745 -15.3381 GPRESSAVG: 653200 -31.5883 -5.02175 -13.1191 -8.90437 34.5043 -9.57373 -11.1522 -1.08124 -16.2191 TIMING: 653200 CPU: 1945.33, 0.00297101/step Wall: 1945.33, 0.00297101/step, 3.58733 hours remaining, 206.347656 MB of memory in use. ENERGY: 653200 743.9382 2068.2634 1924.6744 105.9107 -206175.7697 17712.0805 0.0000 0.0000 34180.3409 -149440.5615 298.5054 -183620.9024 -149350.9269 298.3765 -53.1822 -17.1286 556297.6126 -4.4151 -4.4344 PRESSURE: 653400 101.285 -66.9515 -134.176 -66.952 202.889 -128.917 -134.178 -128.918 -135.271 GPRESSURE: 653400 101.242 -128.163 -165.288 -39.4991 195.433 -206.549 -110.723 -14.8264 -39.5474 PRESSAVG: 653400 67.0787 -3.13916 -90.4686 -3.13911 16.7182 37.3398 -90.4686 37.3399 -56.1657 GPRESSAVG: 653400 65.8999 -4.98641 -89.2435 -1.08291 16.9573 39.7854 -90.0879 38.7166 -54.6859 TIMING: 653400 CPU: 1945.92, 0.00298529/step Wall: 1945.92, 0.00298529/step, 3.60441 hours remaining, 206.347656 MB of memory in use. ENERGY: 653400 739.0284 2078.2403 1942.8660 119.4799 -206490.4127 17913.7190 0.0000 0.0000 34185.1756 -149511.9034 298.5476 -183697.0790 -149415.5317 298.2094 56.3009 85.7092 554306.1873 9.2104 9.3904 PRESSURE: 653600 300.199 1.7965 -73.5625 1.79542 154.758 100.368 -73.563 100.37 -199.647 GPRESSURE: 653600 296.44 -32.3626 -66.4221 18.3406 158.194 46.4963 -82.7242 107.05 -107.726 PRESSAVG: 653600 23.6546 -10.3882 -22.6239 -10.3882 6.11401 -10.1154 -22.6239 -10.1155 -26.8772 GPRESSAVG: 653600 23.9807 -11.8007 -22.8749 -7.0263 6.42942 -10.7985 -23.6334 -12.2177 -27.6586 TIMING: 653600 CPU: 1946.52, 0.00298046/step Wall: 1946.52, 0.00298046/step, 3.59841 hours remaining, 206.347656 MB of memory in use. ENERGY: 653600 747.6530 2089.1691 1926.6061 115.9630 -206301.3057 17892.7130 0.0000 0.0000 34155.7426 -149373.4589 298.2906 -183529.2015 -149281.2172 299.0098 85.1032 115.6360 556166.2817 0.9638 0.9172 PRESSURE: 653800 149.625 12.9599 -158.885 12.96 50.7199 -39.7934 -158.885 -39.794 292.447 GPRESSURE: 653800 178.176 113.623 -212.482 -24.5692 96.6206 -42.2498 -53.1429 39.2731 313.745 PRESSAVG: 653800 -16.6038 -62.3633 -21.9905 -62.3633 -3.97256 -45.6503 -21.9904 -45.6505 33.3744 GPRESSAVG: 653800 -18.1384 -58.9742 -23.1842 -67.8073 -3.11989 -46.1581 -21.565 -44.836 33.801 TIMING: 653800 CPU: 1947.12, 0.00299189/step Wall: 1947.12, 0.00299189/step, 3.61204 hours remaining, 206.347656 MB of memory in use. ENERGY: 653800 759.3189 2059.2935 1936.2677 104.6550 -206631.1106 17992.4348 0.0000 0.0000 34422.7901 -149356.3507 300.6228 -183779.1408 -149256.7184 298.6550 164.2639 196.1805 555227.4321 4.2660 4.1809 PRESSURE: 654000 134.001 -36.6038 -89.3059 -36.6039 48.0137 -28.1146 -89.3057 -28.1139 -104.546 GPRESSURE: 654000 164.789 -38.9126 -24.636 -14.1617 83.57 -6.05753 -85.1247 -112.422 -65.9265 PRESSAVG: 654000 38.2764 -3.95605 19.8817 -3.95612 40.4882 -9.99921 19.8818 -9.99922 -58.7415 GPRESSAVG: 654000 38.7973 -4.49885 20.8018 -2.88868 39.4961 -8.66174 17.8499 -10.0568 -58.0559 TIMING: 654000 CPU: 1947.72, 0.0030102/step Wall: 1947.72, 0.0030102/step, 3.63397 hours remaining, 206.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 654000 748.2536 2084.4964 1942.8481 121.1665 -206182.7669 17710.9730 0.0000 0.0000 34203.0575 -149371.9719 298.7038 -183575.0294 -149273.8862 299.0752 25.8229 60.8108 556533.2672 6.6744 6.7458 PRESSURE: 654200 278.714 113.219 -197.813 113.219 238.829 93.2402 -197.811 93.2395 34.5561 GPRESSURE: 654200 347.584 174.714 -178.406 29.8407 227.035 104.497 -239.443 41.9224 84.5879 PRESSAVG: 654200 3.86231 52.7286 -37.2364 52.7287 -15.8407 -13.2939 -37.2363 -13.294 -22.0895 GPRESSAVG: 654200 4.22173 50.3905 -37.3696 51.459 -15.4298 -13.6191 -36.5524 -11.9741 -22.8173 TIMING: 654200 CPU: 1948.32, 0.00300425/step Wall: 1948.32, 0.00300425/step, 3.62663 hours remaining, 206.347656 MB of memory in use. ENERGY: 654200 720.4224 2095.1119 1945.2293 125.2499 -206330.6260 17932.3594 0.0000 0.0000 34307.8987 -149204.3544 299.6194 -183512.2531 -149103.6075 299.1367 184.0331 219.7357 556052.8852 -11.3560 -11.3418 PRESSURE: 654400 290.136 -7.25464 112.219 -7.25631 -124.691 54.6732 112.219 54.6709 151.224 GPRESSURE: 654400 330.267 25.0178 139.701 -21.3539 -109.529 -97.2436 -34.1031 193.52 198.094 PRESSAVG: 654400 -13.1014 72.0295 -5.28419 72.0295 13.6734 13.5032 -5.28427 13.5032 39.4149 GPRESSAVG: 654400 -12.6006 73.0942 -4.22713 71.9512 13.2497 13.7365 -7.03742 13.0984 39.4384 TIMING: 654400 CPU: 1948.93, 0.00303727/step Wall: 1948.93, 0.00303727/step, 3.66633 hours remaining, 206.347656 MB of memory in use. ENERGY: 654400 730.6281 2098.5298 1927.3912 112.1629 -205926.4664 17759.5826 0.0000 0.0000 34196.3792 -149101.7926 298.6455 -183298.1718 -149005.1452 298.6293 105.5564 139.6105 556131.0540 13.3290 13.3625 PRESSURE: 654600 -216.499 -57.8626 -57.1226 -57.8609 -454.301 -141.212 -57.1244 -141.212 15.317 GPRESSURE: 654600 -177.784 -46.576 26.0193 -103.326 -431.069 -121.756 -38.9301 -21.8054 49.615 PRESSAVG: 654600 -77.7116 30.0077 -21.7972 30.0077 -1.5921 -28.2638 -21.7972 -28.2638 113.668 GPRESSAVG: 654600 -77.2892 32.0717 -20.825 30.2664 -1.80836 -28.8919 -20.2744 -28.6944 113.07 TIMING: 654600 CPU: 1949.53, 0.00298818/step Wall: 1949.53, 0.00298818/step, 3.6069 hours remaining, 206.347656 MB of memory in use. ENERGY: 654600 799.0448 2094.1021 1917.6314 108.9360 -205668.4553 17371.2686 0.0000 0.0000 34336.7058 -149040.7667 299.8710 -183377.4725 -148945.4883 299.9631 -218.4945 -186.4126 557365.8893 11.4546 11.3243 PRESSURE: 654800 54.4979 139.992 -130.771 139.993 16.1695 46.5735 -130.77 46.5724 -34.6721 GPRESSURE: 654800 32.2201 146.498 -106.332 157.484 111.83 -4.05342 -178.303 70.479 -11.4143 PRESSAVG: 654800 3.90396 20.5857 -5.33629 20.5856 -22.8408 35.1459 -5.33624 35.146 -6.01243 GPRESSAVG: 654800 3.10092 21.6829 -7.62735 22.0846 -21.9923 34.6738 -5.4527 33.9289 -5.83859 TIMING: 654800 CPU: 1950.12, 0.00297853/step Wall: 1950.12, 0.00297853/step, 3.59508 hours remaining, 206.347656 MB of memory in use. ENERGY: 654800 764.3055 2092.6260 1906.1078 112.9791 -205750.7597 17691.3359 0.0000 0.0000 34309.2560 -148874.1493 299.6313 -183183.4053 -148769.6810 299.8848 11.9984 44.2119 557447.4677 -8.3164 -8.2433 PRESSURE: 655000 64.9331 23.6192 -127.186 23.6207 -113.527 -59.8259 -127.185 -59.8259 -143.031 GPRESSURE: 655000 98.7333 9.14429 -122.863 36.1221 -50.0258 -81.4066 -118.083 -62.9346 -145.97 PRESSAVG: 655000 2.8106 -14.303 -16.0668 -14.3029 20.7617 4.85464 -16.0668 4.85474 -40.8647 GPRESSAVG: 655000 3.28831 -17.3639 -15.0174 -13.5079 19.6496 6.81734 -17.1017 4.17957 -40.7879 TIMING: 655000 CPU: 1950.73, 0.00302035/step Wall: 1950.73, 0.00302035/step, 3.64539 hours remaining, 206.347656 MB of memory in use. ENERGY: 655000 735.6319 2081.2332 1943.7387 110.3452 -205886.1470 17615.7639 0.0000 0.0000 34394.0527 -149005.3812 300.3718 -183399.4339 -148912.0394 299.8441 -63.8750 -32.4208 556659.1082 -5.7641 -5.9500 PRESSURE: 655200 131.521 146.83 16.0923 146.829 -156.204 -43.756 16.0918 -43.757 173.242 GPRESSURE: 655200 152.926 83.6512 63.4414 17.9984 -113.626 -56.81 -41.99 -48.6097 209.672 PRESSAVG: 655200 2.73864 -3.38437 -41.8087 -3.38436 27.1236 -27.8413 -41.8087 -27.8411 -3.90413 GPRESSAVG: 655200 1.52113 -4.50265 -40.6098 -4.47312 26.8912 -30.1231 -40.5538 -25.5733 -2.49845 TIMING: 655200 CPU: 1951.33, 0.00303048/step Wall: 1951.33, 0.00303048/step, 3.65745 hours remaining, 206.347656 MB of memory in use. ENERGY: 655200 684.9538 2064.8860 1938.6970 107.3923 -205715.7725 17624.1603 0.0000 0.0000 34108.1380 -149187.5450 297.8749 -183295.6831 -149088.6565 299.4632 49.5198 82.9909 557176.7507 8.6527 8.6379 PRESSURE: 655400 -124.666 8.75441 11.1402 8.75409 126.243 -191.19 11.1409 -191.189 98.5019 GPRESSURE: 655400 -41.3081 2.91223 39.903 39.393 96.8486 -156.653 -20.1849 -220.808 142.546 PRESSAVG: 655400 -77.2013 -16.8754 -24.5099 -16.8755 -11.1493 -85.7539 -24.5099 -85.754 77.6507 GPRESSAVG: 655400 -75.9371 -13.8717 -26.2179 -17.3775 -11.8824 -83.3791 -24.3435 -87.9827 77.2176 TIMING: 655400 CPU: 1951.93, 0.0030042/step Wall: 1951.93, 0.0030042/step, 3.62557 hours remaining, 206.347656 MB of memory in use. ENERGY: 655400 754.1820 2063.7879 1918.3561 97.3585 -206304.8131 18016.3573 0.0000 0.0000 34522.5423 -148932.2290 301.4939 -183454.7713 -148830.8554 299.6361 33.3596 66.0289 558225.2526 -3.5667 -3.5340 PRESSURE: 655600 88.65 -92.1473 63.6139 -92.1481 -36.7466 -146.418 63.6145 -146.417 -116.094 GPRESSURE: 655600 124.677 -22.4516 28.0932 -169.403 -29.0536 -74.6528 65.966 -188.663 -78.0088 PRESSAVG: 655600 49.1741 -55.1924 -36.6317 -55.1924 -46.9402 -51.5367 -36.6315 -51.5366 -20.9761 GPRESSAVG: 655600 48.307 -56.033 -36.8418 -54.4094 -46.4016 -51.6476 -36.8678 -49.9199 -20.3079 TIMING: 655600 CPU: 1952.53, 0.00300447/step Wall: 1952.53, 0.00300447/step, 3.62573 hours remaining, 206.347656 MB of memory in use. ENERGY: 655600 739.0730 2060.6232 1942.5179 112.8434 -205820.6713 17845.9137 0.0000 0.0000 34299.7996 -148819.9005 299.5487 -183119.7002 -148724.1522 299.7807 -21.3969 5.8717 559246.1995 -6.2474 -6.1342 PRESSURE: 655800 -31.3928 -73.9521 0.421523 -73.9516 -176.8 -54.2948 0.420235 -54.2961 -298.457 GPRESSURE: 655800 -18.1916 -84.9715 14.1723 -81.2864 -185.953 -131.73 20.7551 -85.6939 -204.944 PRESSAVG: 655800 52.6804 -35.4799 11.3875 -35.4799 14.1851 -50.82 11.3875 -50.82 -75.9315 GPRESSAVG: 655800 53.1005 -37.0288 13.5773 -34.5426 14.7282 -50.4211 10.7374 -50.9838 -76.6529 TIMING: 655800 CPU: 1953.13, 0.00298472/step Wall: 1953.13, 0.00298472/step, 3.60173 hours remaining, 206.347656 MB of memory in use. ENERGY: 655800 786.3602 2071.8552 1956.3099 125.2285 -205666.4724 17622.9991 0.0000 0.0000 34257.4293 -148846.2901 299.1787 -183103.7194 -148746.9404 300.3988 -168.8833 -136.3627 559720.4747 -3.0220 -2.9414 PRESSURE: 656000 17.6165 -28.7425 75.5657 -28.7426 -197.718 2.57474 75.5648 2.57442 20.8535 GPRESSURE: 656000 70.6377 -99.8791 96.8329 11.2919 -156.855 -83.0905 19.4541 32.5459 31.6415 PRESSAVG: 656000 -22.0795 -65.7491 31.2346 -65.7491 -52.8051 -39.714 31.2346 -39.7141 40.7836 GPRESSAVG: 656000 -21.6897 -64.6051 29.6482 -66.0936 -52.7947 -41.9777 31.5259 -39.6164 40.878 TIMING: 656000 CPU: 1953.73, 0.00297728/step Wall: 1953.73, 0.00297728/step, 3.59259 hours remaining, 206.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 656000 760.4563 2094.1524 1956.7753 124.3367 -206047.0752 17865.8868 0.0000 0.0000 34332.0990 -148913.3687 299.8308 -183245.4676 -148823.7633 300.3995 -53.0826 -18.1920 557393.0994 -11.3670 -11.2021 PRESSURE: 656200 -252.4 84.9809 -251.349 84.9805 -245.191 104.681 -251.349 104.682 22.0327 GPRESSURE: 656200 -251.701 118.733 -271.513 38.5577 -201.786 48.646 -162.389 120.508 73.2871 PRESSAVG: 656200 -66.8192 17.326 11.5458 17.3259 -14.5876 -31.6508 11.5458 -31.6508 67.3758 GPRESSAVG: 656200 -67.2879 16.7588 11.7776 18.6445 -14.7641 -31.0327 12.4248 -31.4344 68.491 TIMING: 656200 CPU: 1954.32, 0.00297518/step Wall: 1954.32, 0.00297518/step, 3.58988 hours remaining, 206.347656 MB of memory in use. ENERGY: 656200 727.4321 2110.7174 1939.9669 106.3264 -205739.0813 17436.6902 0.0000 0.0000 34547.8960 -148870.0523 301.7154 -183417.9483 -148770.0129 300.1429 -158.5193 -126.7334 558220.8653 -4.6770 -4.5203 LDB: ============= START OF LOAD BALANCING ============== 1957.87 LDB: ============== END OF LOAD BALANCING =============== 1957.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1957.87 LDB: ============= START OF LOAD BALANCING ============== 1958.17 LDB: Largest compute 4774 load 0.028852 is 24.4% of average load 0.118069 LDB: Average compute 0.001736 is 1.5% of average load 0.118069 LDB: TIME 1958.17 LOAD: AVG 0.118069 MAX 0.207027 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.348 MB LDB: TIME 1958.17 LOAD: AVG 0.118069 MAX 0.207027 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.348 MB LDB: TIME 1958.17 LOAD: AVG 0.118069 MAX 0.207027 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.348 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1958.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1958.18 PRESSURE: 656400 -222.774 151.992 -21.3002 151.991 11.3476 -95.2295 -21.3001 -95.2281 3.64348 GPRESSURE: 656400 -164 110.354 8.9857 114.467 37.1385 -89.2375 -56.3938 -78.1703 7.4517 PRESSAVG: 656400 3.24532 -6.64846 -25.2017 -6.64855 -52.0122 -30.391 -25.2017 -30.391 14.4814 GPRESSAVG: 656400 2.47924 -6.31929 -25.0697 -10.9799 -51.083 -29.3325 -26.2318 -31.1741 14.3871 TIMING: 656400 CPU: 1954.93, 0.00301922/step Wall: 1954.93, 0.00301922/step, 3.64286 hours remaining, 205.835938 MB of memory in use. ENERGY: 656400 727.2443 2058.2862 1976.4744 121.7167 -206081.2386 17673.3074 0.0000 0.0000 34606.6139 -148917.5957 302.2282 -183524.2096 -148823.8889 299.8967 -69.2610 -39.8033 559144.1148 -11.4285 -11.4055 PRESSURE: 656600 57.4508 12.0434 101.986 12.0426 45.219 -45.7959 101.987 -45.7951 16.0959 GPRESSURE: 656600 141.825 24.9552 127.861 -61.2155 57 -30.8211 68.3224 -162.517 24.3017 PRESSAVG: 656600 36.7217 75.9097 42.3472 75.9097 -16.7004 23.7211 42.3471 23.721 7.48279 GPRESSAVG: 656600 36.9056 76.711 42.2658 79.5812 -16.8926 24.3062 41.3417 22.7042 7.79624 TIMING: 656600 CPU: 1955.52, 0.00297001/step Wall: 1955.52, 0.00297001/step, 3.58332 hours remaining, 205.835938 MB of memory in use. ENERGY: 656600 761.6500 2063.8923 1968.9538 114.2928 -206065.5149 17761.0131 0.0000 0.0000 34334.2171 -149061.4958 299.8493 -183395.7129 -148962.8258 299.6366 39.5886 74.3755 557117.9842 9.1680 9.2697 PRESSURE: 656800 238.649 -165.668 -53.0894 -165.669 -30.8106 19.126 -53.0898 19.1268 -65.6361 GPRESSURE: 656800 219.379 -100.909 -6.65453 -174.945 4.45034 -103.15 28.7893 58.3763 9.34614 PRESSAVG: 656800 2.73946 17.9427 -13.7171 17.9428 18.1027 -26.8954 -13.7171 -26.8955 -11.6949 GPRESSAVG: 656800 2.10864 17.3134 -14.4759 17.3262 18.2037 -28.9043 -13.9079 -23.7348 -11.5983 TIMING: 656800 CPU: 1956.12, 0.00297788/step Wall: 1956.12, 0.00297788/step, 3.59264 hours remaining, 205.835938 MB of memory in use. ENERGY: 656800 684.3403 2125.8188 1915.8502 110.3416 -205919.0869 17679.2782 0.0000 0.0000 34355.7074 -149047.7506 300.0369 -183403.4580 -148951.8138 299.3451 47.4008 77.7250 557870.4878 3.0491 2.9047 PRESSURE: 657000 154.045 -62.1884 37.0344 -62.1881 -64.1364 63.0202 37.0342 63.0213 247.371 GPRESSURE: 657000 141.679 -80.6902 -26.2914 -74.6979 -17.6853 50.1552 110.111 93.4791 304.541 PRESSAVG: 657000 -28.622 -61.3681 -66.3511 -61.3681 26.178 45.2917 -66.3511 45.2917 34.0191 GPRESSAVG: 657000 -28.4139 -63.1604 -66.1995 -61.671 25.2173 46.1212 -66.8096 42.4846 35.0012 TIMING: 657000 CPU: 1956.71, 0.0029685/step Wall: 1956.71, 0.0029685/step, 3.58116 hours remaining, 205.835938 MB of memory in use. ENERGY: 657000 719.9121 2096.7947 1963.4662 110.4312 -206117.6279 17912.9283 0.0000 0.0000 34231.4096 -149082.6858 298.9514 -183314.0954 -148983.8952 299.7679 112.4263 142.8448 556311.3971 10.5250 10.6016 PRESSURE: 657200 -251.574 59.0547 -143.802 59.0557 -137.227 178.89 -143.802 178.891 -309.107 GPRESSURE: 657200 -199.924 10.2329 -156.981 11.0773 -114.611 145.093 -128.132 109.964 -283.905 PRESSAVG: 657200 -10.1458 24.0663 -7.36136 24.0662 7.98112 -5.5065 -7.36141 -5.50644 25.7751 GPRESSAVG: 657200 -10.6668 24.996 -8.19283 24.6274 8.49095 -5.36992 -6.14654 -5.16408 25.9819 TIMING: 657200 CPU: 1957.31, 0.00299338/step Wall: 1957.31, 0.00299338/step, 3.61102 hours remaining, 205.835938 MB of memory in use. ENERGY: 657200 754.7451 2035.5047 1952.0370 118.5244 -205912.5915 17588.1273 0.0000 0.0000 34317.0307 -149146.6223 299.6992 -183463.6530 -149052.9638 299.0083 -232.6358 -199.4799 558304.3019 7.8701 7.9354 PRESSURE: 657400 52.7586 -71.1959 -88.2221 -71.1962 -228.863 58.1178 -88.2216 58.1177 -188.805 GPRESSURE: 657400 91.6627 -71.5276 -46.2552 -90.5173 -171.234 117.164 -102.467 83.7291 -183.283 PRESSAVG: 657400 -14.888 -7.50137 -17.8109 -7.50138 29.9037 53.5251 -17.8109 53.5252 -9.32124 GPRESSAVG: 657400 -14.961 -6.94978 -16.871 -9.14582 31.6767 52.8243 -19.3209 53.4321 -11.2943 TIMING: 657400 CPU: 1957.9, 0.00298006/step Wall: 1957.9, 0.00298006/step, 3.59478 hours remaining, 205.835938 MB of memory in use. ENERGY: 657400 727.6620 2072.2759 1948.7879 116.9881 -205834.1502 17570.7923 0.0000 0.0000 34206.8803 -149190.7637 298.7372 -183397.6440 -149094.3288 299.1273 -121.6364 -87.6180 556608.9887 1.8982 1.8072 PRESSURE: 657600 225.803 9.81636 -107.208 9.81698 -120.788 -39.3911 -107.207 -39.3925 102.895 GPRESSURE: 657600 262.39 73.6743 -58.6147 -35.8921 -103.242 -41.2977 -69.932 -56.18 140.635 PRESSAVG: 657600 -19.5193 -21.1844 -4.14366 -21.1844 -15.2218 23.4858 -4.14343 23.4858 31.9522 GPRESSAVG: 657600 -19.2317 -20.6026 -3.9652 -19.7015 -16.1386 25.8775 -2.45147 22.3072 32.8022 TIMING: 657600 CPU: 1958.5, 0.00298488/step Wall: 1958.5, 0.00298488/step, 3.60043 hours remaining, 205.835938 MB of memory in use. ENERGY: 657600 712.1712 2068.6200 1946.5829 114.5800 -205874.9214 17541.5662 0.0000 0.0000 34220.9796 -149270.4215 298.8603 -183491.4011 -149184.2375 298.5690 69.3035 99.9280 554248.5992 -0.9296 -0.8560 PRESSURE: 657800 246.592 61.2486 -173.758 61.25 34.4473 -5.2602 -173.759 -5.26054 -18.7288 GPRESSURE: 657800 218.79 66.7792 -199.119 97.1779 99.1648 -52.6581 -190.814 -57.687 44.2178 PRESSAVG: 657800 57.1848 -60.3203 -27.5828 -60.3203 36.0044 34.2903 -27.5829 34.2902 -81.0133 GPRESSAVG: 657800 57.553 -59.1154 -27.914 -59.8423 35.9222 32.6533 -27.6291 35.4889 -81.1273 TIMING: 657800 CPU: 1959.11, 0.00301959/step Wall: 1959.11, 0.00301959/step, 3.64213 hours remaining, 205.835938 MB of memory in use. ENERGY: 657800 712.7472 2018.0204 1946.1736 111.3755 -206041.0119 17828.4036 0.0000 0.0000 34068.0940 -149356.1975 297.5251 -183424.2915 -149260.1345 299.3892 87.4367 120.7242 554660.6510 4.0586 4.1160 PRESSURE: 658000 -261.535 -130.449 -108.355 -130.449 -233.55 96.8456 -108.355 96.8435 -68.1323 GPRESSURE: 658000 -236.818 -140.27 -110.372 -140.528 -180.215 12.1876 -107.636 201.42 -55.5531 PRESSAVG: 658000 39.5911 -63.1691 -11.3545 -63.1692 30.9388 -9.33112 -11.3545 -9.33104 -81.6621 GPRESSAVG: 658000 39.6564 -66.4364 -11.6998 -61.6823 30.9269 -8.43086 -10.6692 -10.2885 -81.5729 TIMING: 658000 CPU: 1959.71, 0.00302048/step Wall: 1959.71, 0.00302048/step, 3.64304 hours remaining, 205.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 658000 758.3554 2032.7693 1904.8597 119.0311 -205964.8207 17495.1938 0.0000 0.0000 34341.0291 -149313.5822 299.9087 -183654.6113 -149213.8054 299.3899 -187.7391 -157.5286 556480.7225 -3.7107 -3.6632 PRESSURE: 658200 92.4553 13.8013 -44.2631 13.8007 166.687 -77.8785 -44.2634 -77.8784 -28.0982 GPRESSURE: 658200 147.49 47.436 -90.1221 -19.2854 162.347 -107.541 -68.0959 -87.9155 6.72914 PRESSAVG: 658200 -22.9108 -47.1603 -6.59211 -47.1603 -11.7995 1.308 -6.5921 1.30814 61.5236 GPRESSAVG: 658200 -21.5087 -45.4619 -6.5577 -49.3679 -12.7391 -0.643876 -9.04936 3.26189 61.2636 TIMING: 658200 CPU: 1960.31, 0.00300442/step Wall: 1960.31, 0.00300442/step, 3.62349 hours remaining, 205.835938 MB of memory in use. ENERGY: 658200 699.3599 2109.2097 1899.2896 103.5690 -206115.6322 17675.3614 0.0000 0.0000 34353.6723 -149275.1702 300.0192 -183628.8426 -149177.1940 299.4893 77.0146 105.5222 555036.1225 8.9378 9.0053 PRESSURE: 658400 99.6197 -15.2712 -103.455 -15.2729 -176.952 -109.129 -103.454 -109.129 58.5626 GPRESSURE: 658400 99.893 11.6651 -258.891 57.0065 -116.947 -64.373 -88.6554 -119.046 94.3963 PRESSAVG: 658400 8.6975 -39.3025 28.7553 -39.3025 -10.6436 -18.3177 28.7553 -18.3177 9.28129 GPRESSAVG: 658400 8.0605 -38.5184 28.372 -39.3417 -10.3767 -15.4521 29.5579 -21.488 9.45048 TIMING: 658400 CPU: 1960.9, 0.00296916/step Wall: 1960.9, 0.00296917/step, 3.58081 hours remaining, 205.835938 MB of memory in use. ENERGY: 658400 743.8587 2135.2507 1890.3474 113.7664 -206338.9336 17806.7066 0.0000 0.0000 34362.1770 -149286.8268 300.0934 -183649.0038 -149188.0086 299.2789 -6.2567 25.7807 558313.0945 2.4451 2.3781 PRESSURE: 658600 288.168 -109.023 -9.50978 -109.024 -89.456 -152.88 -9.50914 -152.88 82.643 GPRESSURE: 658600 330.803 -124.753 -65.2008 -160.086 -25.4267 -209.489 78.7251 -75.3197 73.2021 PRESSAVG: 658600 16.066 -49.7314 37.0887 -49.7314 -11.2271 -31.7275 37.0887 -31.7276 11.147 GPRESSAVG: 658600 15.7014 -50.6532 37.8826 -49.324 -11.7049 -31.7076 37.2513 -30.1049 11.3838 TIMING: 658600 CPU: 1961.5, 0.0029685/step Wall: 1961.5, 0.0029685/step, 3.57985 hours remaining, 205.835938 MB of memory in use. ENERGY: 658600 732.1693 2131.6845 1918.9923 109.3741 -206574.6922 18063.9926 0.0000 0.0000 34169.3916 -149449.0879 298.4098 -183618.4795 -149358.3917 299.1360 93.7851 126.1928 557517.3206 5.3286 5.1267 PRESSURE: 658800 -104.758 -130.622 135.1 -130.622 -282.372 -307.119 135.098 -307.122 -49.4563 GPRESSURE: 658800 -110.954 -47.412 110.35 -102.708 -217.421 -317.382 158.311 -275.248 -18.2157 PRESSAVG: 658800 -38.3634 -9.53931 5.48997 -9.53932 34.6126 -18.7047 5.48999 -18.7049 -21.9469 GPRESSAVG: 658800 -38.7361 -10.7968 5.77884 -10.3431 35.7152 -18.0602 4.62916 -20.5203 -22.498 TIMING: 658800 CPU: 1962.1, 0.00298898/step Wall: 1962.1, 0.00298898/step, 3.60438 hours remaining, 205.835938 MB of memory in use. ENERGY: 658800 723.9945 2090.5517 1922.8606 122.8387 -205981.8796 17602.4117 0.0000 0.0000 34412.5466 -149106.6757 300.5333 -183519.2223 -149005.8174 299.1104 -145.5287 -115.5302 559675.3899 -8.5659 -8.5063 PRESSURE: 659000 66.5336 -26.0813 197.872 -26.0823 159.236 -20.659 197.871 -20.6587 -22.9256 GPRESSURE: 659000 48.255 11.5813 174.308 -36.9684 232.562 53.2094 195.235 -13.6926 11.3666 PRESSAVG: 659000 8.13833 -8.70653 9.27323 -8.70635 -26.2361 35.9499 9.27325 35.9498 -3.22125 GPRESSAVG: 659000 8.37131 -9.57042 9.32095 -7.55385 -27.5714 33.9213 10.2548 38.9755 -2.09647 TIMING: 659000 CPU: 1962.69, 0.00299246/step Wall: 1962.69, 0.00299246/step, 3.6084 hours remaining, 205.835938 MB of memory in use. ENERGY: 659000 726.2043 2105.9202 1924.3315 113.9622 -206428.6923 18096.0945 0.0000 0.0000 34362.1869 -149099.9927 300.0935 -183462.1796 -149009.7689 299.5256 67.6146 97.3945 558653.1384 -7.1064 -7.0989 PRESSURE: 659200 -201.69 -128.99 -69.5723 -128.99 36.4061 19.9238 -69.5726 19.9247 -151.204 GPRESSURE: 659200 -166.434 -95.2751 -65.4292 -105.486 60.8145 51.8881 -112.197 64.0987 -110.059 PRESSAVG: 659200 -42.3032 -60.9707 -16.0444 -60.9707 86.1645 -45.5088 -16.0444 -45.5089 -26.021 GPRESSAVG: 659200 -42.136 -59.1884 -15.2494 -61.638 86.9551 -43.3027 -18.5401 -47.5916 -26.0455 TIMING: 659200 CPU: 1963.29, 0.00298264/step Wall: 1963.29, 0.00298264/step, 3.59641 hours remaining, 205.835938 MB of memory in use. ENERGY: 659200 715.4697 2116.8710 1923.3586 119.2749 -206093.8471 17752.2462 0.0000 0.0000 34340.4590 -149126.1676 299.9038 -183466.6266 -149033.6265 299.5353 -105.4958 -71.8927 558448.8534 5.9468 6.2579 PRESSURE: 659400 -375.113 -1.78693 -128.691 -1.78845 71.8094 -73.2587 -128.69 -73.2583 -171.552 GPRESSURE: 659400 -321.722 27.4613 -160.72 -19.3591 103.009 -54.8454 -99.3789 -88.3861 -156.734 PRESSAVG: 659400 -9.81479 35.4463 -26.6721 35.4462 86.4719 -15.3434 -26.6721 -15.3434 -14.6443 GPRESSAVG: 659400 -9.74889 34.9308 -29.3189 35.7959 85.9872 -17.0813 -24.7439 -13.2162 -13.8213 TIMING: 659400 CPU: 1963.89, 0.00298821/step Wall: 1963.89, 0.00298822/step, 3.60296 hours remaining, 205.835938 MB of memory in use. ENERGY: 659400 758.8168 2093.4393 1940.6664 110.9024 -205978.5252 17731.8744 0.0000 0.0000 34336.1293 -149006.6967 299.8660 -183342.8260 -148913.5640 299.6538 -158.2851 -125.1489 557890.7133 20.6710 20.8057 PRESSURE: 659600 -255.231 57.582 -19.2978 57.5815 -191.983 -9.20105 -19.2968 -9.20246 -89.9067 GPRESSURE: 659600 -161.144 4.78078 -47.4055 -9.82719 -189.171 -55.7991 -35.3507 52.0681 -97.2796 PRESSAVG: 659600 -16.0007 -26.2081 -19.857 -26.2081 42.7918 -13.9095 -19.857 -13.9094 -44.5807 GPRESSAVG: 659600 -15.6352 -22.7372 -19.3463 -25.3931 43.7098 -13.8802 -19.1105 -15.0825 -46.1635 TIMING: 659600 CPU: 1964.48, 0.00297681/step Wall: 1964.48, 0.00297681/step, 3.58903 hours remaining, 205.835938 MB of memory in use. ENERGY: 659600 755.4651 2116.7275 1917.6286 103.9654 -205853.9577 17628.4581 0.0000 0.0000 34323.7277 -149007.9854 299.7577 -183331.7131 -148907.5157 299.8169 -179.0404 -149.1983 557892.2374 -5.9299 -6.0296 PRESSURE: 659800 238.893 61.0287 -121.345 61.0297 88.4321 40.112 -121.345 40.1114 -2.36581 GPRESSURE: 659800 340.837 72.9812 -111.421 5.87245 107.924 104.038 -93.9192 -5.57864 -26.4359 PRESSAVG: 659800 29.2112 -50.0252 -24.8589 -50.0251 18.062 -18.2667 -24.8589 -18.2667 -55.2706 GPRESSAVG: 659800 30.3159 -52.284 -27.0113 -49.2079 17.5437 -19.9874 -23.3412 -18.7884 -55.8328 TIMING: 659800 CPU: 1965.08, 0.00300338/step Wall: 1965.08, 0.00300338/step, 3.6209 hours remaining, 205.835938 MB of memory in use. ENERGY: 659800 721.1543 2114.0691 1946.2809 124.2059 -206285.4208 17890.5211 0.0000 0.0000 34429.6628 -149059.5267 300.6828 -183489.1895 -148965.5107 299.8734 108.3198 140.7748 558003.4621 -2.6658 -2.6577 PRESSURE: 660000 37.0339 52.2056 14.7658 52.2053 23.3579 -20.0808 14.7667 -20.0795 -30.905 GPRESSURE: 660000 30.3052 -17.9918 34.5545 98.6724 57.1731 -39.595 -82.8043 -1.19355 29.0237 PRESSAVG: 660000 61.8711 22.2457 -25.1821 22.2457 -12.3501 0.458486 -25.1821 0.458437 -39.4501 GPRESSAVG: 660000 60.6036 22.9952 -23.3551 21.1231 -11.7823 1.25494 -30.1474 2.39448 -38.5944 TIMING: 660000 CPU: 1965.7, 0.00305496/step Wall: 1965.7, 0.00305496/step, 3.68292 hours remaining, 205.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 660000 743.5734 2118.0034 1921.5096 114.9004 -206033.2483 17745.2689 0.0000 0.0000 34403.7609 -148986.2318 300.4566 -183389.9927 -148883.4540 299.8591 9.8289 38.8340 558812.0187 3.3570 3.4089 PRESSURE: 660200 308.225 -40.6885 177.691 -40.6883 288.752 -121.363 177.691 -121.362 -42.8484 GPRESSURE: 660200 319.304 -105.195 188.398 -0.456763 302.681 -107.496 126.857 -25.3476 28.2883 PRESSAVG: 660200 3.80422 8.03279 6.55266 8.03268 -37.1939 -44.7663 6.55263 -44.7662 12.4165 GPRESSAVG: 660200 4.82565 6.00864 5.22125 8.60589 -37.8164 -42.8016 10.8085 -45.7177 12.401 TIMING: 660200 CPU: 1966.3, 0.00302913/step Wall: 1966.3, 0.00302913/step, 3.65161 hours remaining, 205.835938 MB of memory in use. ENERGY: 660200 718.6429 2086.8455 1935.4461 111.3739 -206702.2002 18229.3378 0.0000 0.0000 34515.5764 -149104.9774 301.4331 -183620.5538 -149013.0455 299.4775 184.7096 216.7578 557094.5969 -6.9911 -6.8632 LDB: ============= START OF LOAD BALANCING ============== 1969.85 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1969.85 LDB: =============== DONE WITH MIGRATION ================ 1969.86 LDB: ============= START OF LOAD BALANCING ============== 1970.16 LDB: Largest compute 4774 load 0.029350 is 24.8% of average load 0.118130 LDB: Average compute 0.001732 is 1.5% of average load 0.118130 LDB: TIME 1970.16 LOAD: AVG 0.11813 MAX 0.21057 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.836 MB LDB: TIME 1970.16 LOAD: AVG 0.11813 MAX 0.21057 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.836 MB LDB: TIME 1970.16 LOAD: AVG 0.11813 MAX 0.21057 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.836 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1970.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1970.17 PRESSURE: 660400 314.888 -4.36479 -20.1914 -4.36532 68.6027 -125.002 -20.1925 -125.003 -2.58022 GPRESSURE: 660400 290.184 63.717 -117.184 -40.8922 86.9196 -60.0825 72.8641 -23.1472 86.0613 PRESSAVG: 660400 1.17857 11.3941 4.3866 11.3941 82.2468 -41.6199 4.38665 -41.6199 -56.834 GPRESSAVG: 660400 -0.295271 11.2409 6.96905 10.8313 83.4172 -42.0514 2.61929 -43.6525 -57.2767 TIMING: 660400 CPU: 1966.92, 0.00308721/step Wall: 1966.92, 0.00308721/step, 3.72147 hours remaining, 206.621094 MB of memory in use. ENERGY: 660400 733.8781 2022.1598 1935.4583 115.8548 -206291.8434 18114.8298 0.0000 0.0000 34258.1557 -149111.5068 299.1850 -183369.6625 -149011.6652 299.9201 126.9701 154.3882 557448.5601 8.8638 8.6151 PRESSURE: 660600 -169.685 36.0103 -103.398 36.0111 200.938 -40.2213 -103.399 -40.2214 7.96387 GPRESSURE: 660600 -172.065 -15.5384 -125.375 72.4273 220.07 76.4426 -110.455 -53.1885 84.8517 PRESSAVG: 660600 -1.5172 -51.0386 5.72406 -51.0388 2.43869 2.32229 5.72408 2.32223 24.0702 GPRESSAVG: 660600 -0.0400552 -50.3017 4.96291 -49.9851 1.65121 1.6999 4.32013 3.78455 24.2937 TIMING: 660600 CPU: 1967.53, 0.00305235/step Wall: 1967.53, 0.00305235/step, 3.67927 hours remaining, 206.621094 MB of memory in use. ENERGY: 660600 756.2949 2085.3830 1926.8245 124.8053 -206220.8856 17903.1761 0.0000 0.0000 34353.0799 -149071.3218 300.0140 -183424.4017 -148971.1669 299.8969 13.0723 44.2859 557474.4050 8.3306 8.6349 PRESSURE: 660800 -427.194 95.7125 -39.173 95.7128 -267.4 -82.3481 -39.1732 -82.3485 -294.006 GPRESSURE: 660800 -386.742 48.2266 -85.4212 75.7922 -273.104 7.48745 -50.185 -141.421 -228.645 PRESSAVG: 660800 -39.9666 9.22796 -10.8877 9.22803 23.318 -5.70061 -10.8878 -5.70073 38.3328 GPRESSAVG: 660800 -40.0986 10.4898 -13.2411 7.2627 22.6893 -4.05103 -8.32907 -8.11849 39.1825 TIMING: 660800 CPU: 1968.13, 0.00300956/step Wall: 1968.13, 0.00300956/step, 3.62752 hours remaining, 206.621094 MB of memory in use. ENERGY: 660800 759.5654 2061.8753 1924.7357 130.8187 -205624.4249 17356.9284 0.0000 0.0000 34408.0587 -148982.4426 300.4941 -183390.5013 -148879.4614 299.9527 -329.5332 -296.1636 559550.5749 7.2281 7.2577 PRESSURE: 661000 -144.511 -56.0842 -46.5754 -56.0817 -230.888 1.90885 -46.5772 1.90924 -86.0844 GPRESSURE: 661000 -80.2061 -91.7466 32.305 78.9267 -196.929 59.1442 -20.5559 -11.8785 -80.1883 PRESSAVG: 661000 -24.5184 17.4501 -25.3752 17.45 -52.3048 48.0307 -25.3753 48.0306 45.1583 GPRESSAVG: 661000 -24.5738 17.6969 -23.3756 16.9869 -51.5524 46.1557 -26.1394 49.7966 44.18 TIMING: 661000 CPU: 1968.73, 0.00299758/step Wall: 1968.73, 0.00299758/step, 3.61292 hours remaining, 206.621094 MB of memory in use. ENERGY: 661000 681.2461 2155.3166 1919.5635 112.9815 -205339.2770 17431.7842 0.0000 0.0000 34072.3203 -148966.0648 297.5620 -183038.3851 -148870.7100 299.8156 -153.8279 -119.1079 560048.1318 -10.5550 -10.6488 PRESSURE: 661200 -272.767 -62.0689 75.5706 -62.0693 13.6212 -10.0675 75.5707 -10.0671 -116.355 GPRESSURE: 661200 -239.39 -78.8774 90.7485 -110.685 31.6448 10.0564 134 -13.0156 -90.6316 PRESSAVG: 661200 2.1131 -23.3521 27.8996 -23.352 -12.4762 -5.74732 27.8996 -5.74733 2.84441 GPRESSAVG: 661200 2.71165 -25.036 25.9627 -19.9641 -14.0089 -7.20437 29.1073 -4.79964 3.65626 TIMING: 661200 CPU: 1969.33, 0.00299534/step Wall: 1969.33, 0.00299534/step, 3.61005 hours remaining, 206.621094 MB of memory in use. ENERGY: 661200 733.9679 2072.4605 1907.9352 110.2148 -205852.2585 17703.3537 0.0000 0.0000 34353.2613 -148971.0650 300.0156 -183324.3264 -148876.3470 300.0909 -125.1668 -99.4588 558172.5306 -2.5062 -2.5470 PRESSURE: 661400 76.6616 -169.927 -41.733 -169.925 -82.5613 64.1214 -41.7332 64.1209 93.1888 GPRESSURE: 661400 163.305 -247.225 -111.844 -148.661 -52.4137 97.5774 24.2121 35.1531 74.9677 PRESSAVG: 661400 1.15121 -21.1328 25.4035 -21.1329 -5.21645 -23.3245 25.4035 -23.3245 15.9569 GPRESSAVG: 661400 1.42513 -19.6352 25.8871 -24.5769 -3.54063 -21.9226 23.583 -24.0908 14.171 TIMING: 661400 CPU: 1969.92, 0.00297541/step Wall: 1969.92, 0.00297542/step, 3.58587 hours remaining, 206.621094 MB of memory in use. ENERGY: 661400 698.0792 2153.0273 1933.7436 118.1073 -206262.3793 17940.5615 0.0000 0.0000 34500.3390 -148918.5213 301.3000 -183418.8603 -148819.8406 300.6733 29.0964 61.9531 558516.8726 3.9639 4.0185 PRESSURE: 661600 -238.569 -81.3713 -5.92119 -81.3719 -4.7561 -68.794 -5.92027 -68.7939 216.691 GPRESSURE: 661600 -229.892 -49.9012 -67.9013 -121.366 39.7469 -81.546 -5.27941 -45.2257 263.887 PRESSAVG: 661600 9.1693 52.1664 -2.4075 52.1664 -33.888 46.353 -2.40757 46.353 41.63 GPRESSAVG: 661600 8.34263 53.697 -2.30129 52.0748 -35.0177 45.8993 -2.07464 47.3088 43.1219 TIMING: 661600 CPU: 1970.52, 0.00297172/step Wall: 1970.52, 0.00297172/step, 3.58125 hours remaining, 206.621094 MB of memory in use. ENERGY: 661600 764.4666 2081.3185 1942.7090 100.3893 -205923.3570 17745.4009 0.0000 0.0000 34462.4349 -148826.6379 300.9690 -183289.0728 -148730.9244 300.2691 -8.8780 24.5807 557071.4570 5.6371 5.4823 PRESSURE: 661800 126.065 53.4377 -145.574 53.4363 19.5279 15.2859 -145.574 15.2856 -18.1944 GPRESSURE: 661800 172.055 -45.4627 -223.283 5.2589 26.2779 69.0538 -48.2778 -22.2789 35.5169 PRESSAVG: 661800 -10.685 19.1098 -6.32326 19.1099 0.974197 -31.1619 -6.32331 -31.1618 73.9607 GPRESSAVG: 661800 -10.5822 16.4228 -5.67833 21.693 0.404843 -32.4475 -7.0962 -32.5765 74.136 TIMING: 661800 CPU: 1971.11, 0.0029799/step Wall: 1971.11, 0.0029799/step, 3.59094 hours remaining, 206.621094 MB of memory in use. ENERGY: 661800 719.3149 2126.8281 1922.0379 122.1641 -205940.8367 17708.6533 0.0000 0.0000 34505.4409 -148836.3974 301.3446 -183341.8383 -148739.3912 300.7538 42.4661 77.9500 558172.9922 21.4166 21.3196 PRESSURE: 662000 115.419 79.988 27.844 79.9887 41.5054 -147.078 27.8438 -147.077 -149.953 GPRESSURE: 662000 143.81 -36.6965 -4.11258 29.6906 113.258 -172.26 60.4527 -60.309 -154.439 PRESSAVG: 662000 39.9353 26.9444 -59.6839 26.9443 -34.4137 -14.8747 -59.6838 -14.8747 -1.53049 GPRESSAVG: 662000 40.3789 28.2426 -59.5072 24.5445 -32.8911 -13.586 -59.8067 -14.1353 -3.34298 TIMING: 662000 CPU: 1971.71, 0.00299651/step Wall: 1971.71, 0.00299651/step, 3.6108 hours remaining, 206.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 662000 762.9436 2062.8300 1934.6811 120.8048 -206395.8079 17949.9362 0.0000 0.0000 34605.6150 -148958.9972 302.2194 -183564.6122 -148868.5069 300.4505 2.3238 34.2096 558530.2492 1.3304 1.3816 PRESSURE: 662200 95.0353 -21.343 149.785 -21.3437 111.857 52.2823 149.786 52.2837 -151.22 GPRESSURE: 662200 108.72 -96.487 156.803 -3.70926 150.005 64.6007 83.0059 35.4974 -110.501 PRESSAVG: 662200 -28.4633 -12.6741 -30.9057 -12.6741 59.986 -39.9825 -30.9057 -39.9826 -52.2411 GPRESSAVG: 662200 -27.8749 -12.5398 -29.9183 -12.8194 57.4388 -37.5804 -30.8546 -41.0134 -50.502 TIMING: 662200 CPU: 1972.32, 0.0030053/step Wall: 1972.32, 0.0030053/step, 3.62121 hours remaining, 206.621094 MB of memory in use. ENERGY: 662200 744.6095 2043.1149 1923.6254 118.4171 -206084.0017 17895.3023 0.0000 0.0000 34153.7450 -149205.1874 298.2731 -183358.9324 -149100.4436 299.9036 18.5575 49.4079 558732.4848 -6.9061 -6.9794 PRESSURE: 662400 71.1467 22.6706 -48.5735 22.671 -139.473 94.8509 -48.5729 94.85 -73.3835 GPRESSURE: 662400 109.44 -80.8929 -30.609 24.5831 -81.7932 175.372 -47.5986 129.417 -70.0386 PRESSAVG: 662400 48.2195 -78.5946 -41.938 -78.5945 34.4951 9.15688 -41.938 9.15691 -59.5565 GPRESSAVG: 662400 48.2669 -78.7704 -44.0275 -77.0301 35.6977 8.04163 -40.7855 7.7295 -60.8971 TIMING: 662400 CPU: 1972.91, 0.00298913/step Wall: 1972.91, 0.00298913/step, 3.60158 hours remaining, 206.621094 MB of memory in use. ENERGY: 662400 754.7460 2076.6499 1915.3785 111.3052 -206107.4622 17831.2310 0.0000 0.0000 34050.7803 -149367.3714 297.3739 -183418.1516 -149280.9931 298.5650 -47.2366 -14.1304 560063.3908 7.7194 7.6891 PRESSURE: 662600 -227.254 -50.1243 372.711 -50.1242 -119.906 -93.0919 372.711 -93.0924 32.4402 GPRESSURE: 662600 -155.579 -61.2291 361.479 -51.4614 -111.682 -38.8243 312.831 -135.5 53.7983 PRESSAVG: 662600 -59.3248 -31.3867 17.082 -31.3868 53.1213 -14.1836 17.082 -14.1836 -5.61267 GPRESSAVG: 662600 -60.1964 -34.1084 18.6291 -30.244 53.7742 -14.0027 14.8723 -12.9799 -5.0562 TIMING: 662600 CPU: 1973.51, 0.00297985/step Wall: 1973.51, 0.00297985/step, 3.59023 hours remaining, 206.621094 MB of memory in use. ENERGY: 662600 738.1589 2061.8485 1940.7108 115.5613 -206475.1874 17804.9052 0.0000 0.0000 34276.2516 -149537.7509 299.3430 -183814.0026 -149442.8551 298.2633 -104.9067 -71.1545 556543.9414 -3.9387 -3.8262 PRESSURE: 662800 -110.712 -266.257 49.59 -266.258 -135.986 -140.514 49.5899 -140.514 -140.488 GPRESSURE: 662800 -82.0646 -287.615 -5.55869 -234.028 -112.836 -138.197 25.9794 -195.465 -99.3284 PRESSAVG: 662800 -1.8642 -97.8 49.3179 -97.7998 25.6531 -23.2813 49.318 -23.2813 -15.0104 GPRESSAVG: 662800 -0.42178 -97.254 49.0885 -99.0336 24.6555 -23.9273 49.1287 -25.9204 -15.6102 TIMING: 662800 CPU: 1974.1, 0.00297167/step Wall: 1974.1, 0.00297167/step, 3.5802 hours remaining, 206.621094 MB of memory in use. ENERGY: 662800 761.1938 2038.8662 1921.5373 108.3739 -206045.3601 17489.6102 0.0000 0.0000 34401.3156 -149324.4632 300.4352 -183725.7788 -149226.2505 298.8329 -129.0618 -98.0764 558172.9613 2.9262 2.8745 PRESSURE: 663000 130.647 -2.67841 87.9229 -2.67803 -18.6775 -68.1014 87.9223 -68.1007 133.749 GPRESSURE: 663000 158.741 36.8993 176.297 33.5361 40.5026 -140.969 74.5433 -11.1982 140.741 PRESSAVG: 663000 13.1948 -11.3171 9.41008 -11.317 56.2069 -18.6516 9.41013 -18.6515 -53.6508 GPRESSAVG: 663000 12.8277 -8.50848 10.7447 -13.697 57.8466 -18.2528 11.6579 -16.513 -54.5045 TIMING: 663000 CPU: 1974.7, 0.0029692/step Wall: 1974.7, 0.0029692/step, 3.57706 hours remaining, 206.621094 MB of memory in use. ENERGY: 663000 736.4930 2108.6780 1912.3055 118.3172 -206147.5356 17788.5206 0.0000 0.0000 34098.5417 -149384.6797 297.7910 -183483.2214 -149282.1582 299.3173 81.9060 113.3282 556929.9418 5.2503 5.3900 PRESSURE: 663200 -147.235 68.6524 -61.7481 68.6508 176.451 -2.11198 -61.7478 -2.11094 354.336 GPRESSURE: 663200 -119.956 201.818 -132.588 0.266394 198.094 -23.545 -126.08 62.7909 393.753 PRESSAVG: 663200 -35.8097 22.9624 65.7636 22.9625 -26.8336 -37.632 65.7637 -37.632 60.2618 GPRESSAVG: 663200 -35.9242 20.7096 65.7588 24.2968 -26.7114 -37.5974 62.9062 -36.7907 60.6305 TIMING: 663200 CPU: 1975.29, 0.00297769/step Wall: 1975.29, 0.00297769/step, 3.58713 hours remaining, 206.621094 MB of memory in use. ENERGY: 663200 755.1066 1999.4217 1950.2070 116.0418 -206751.3230 18005.4924 0.0000 0.0000 34346.2660 -149578.7875 299.9545 -183925.0535 -149480.1964 298.2936 127.8506 157.2968 556163.0459 -0.7939 -0.6684 PRESSURE: 663400 11.6699 -5.44053 -32.0603 -5.44154 14.1754 35.4067 -32.0597 35.4067 -134.087 GPRESSURE: 663400 55.3723 -0.120251 -36.7398 -38.1217 37.6237 83.67 24.3531 7.84971 -99.8085 PRESSAVG: 663400 -18.5136 35.1549 -6.97261 35.1548 42.4056 32.6164 -6.97255 32.6163 22.8252 GPRESSAVG: 663400 -17.9978 33.329 -7.9316 36.9335 41.3906 32.1348 -7.41843 32.3893 23.8043 TIMING: 663400 CPU: 1975.89, 0.00299347/step Wall: 1975.89, 0.00299347/step, 3.60597 hours remaining, 206.621094 MB of memory in use. ENERGY: 663400 742.3751 2073.3172 1949.4360 107.9178 -206301.7393 17839.0765 0.0000 0.0000 34067.0662 -149522.5505 297.5162 -183589.6167 -149427.8979 298.8925 -36.0806 -2.2708 557271.4607 15.5724 15.7324 PRESSURE: 663600 -209.644 101.201 -11.2533 101.202 -89.921 -6.39763 -11.2523 -6.39805 53.7716 GPRESSURE: 663600 -183.774 27.8837 -82.2781 80.6434 -36.1809 -25.0265 -73.7286 -38.8404 77.9841 PRESSAVG: 663600 44.104 -29.0803 -9.0075 -29.0805 8.12585 -47.1873 -9.00754 -47.1873 -63.2715 GPRESSAVG: 663600 43.4706 -27.6124 -9.29453 -29.6437 8.81992 -47.4684 -7.77271 -47.9665 -64.0152 TIMING: 663600 CPU: 1976.49, 0.00297811/step Wall: 1976.49, 0.00297811/step, 3.5873 hours remaining, 206.621094 MB of memory in use. ENERGY: 663600 735.1947 2110.8880 1907.2774 115.4409 -206255.1486 17631.1630 0.0000 0.0000 34226.5784 -149528.6063 298.9092 -183755.1846 -149429.9668 298.7123 -81.9310 -47.3237 556125.3635 -3.6806 -3.9082 PRESSURE: 663800 -83.578 68.6831 81.9633 68.6822 -50.3907 -51.7198 81.9631 -51.7195 -283.982 GPRESSURE: 663800 -19.8235 47.4543 8.35168 93.4766 -58.1592 -111.957 93.5711 -113.332 -245.962 PRESSAVG: 663800 3.86291 -7.95411 -9.29118 -7.95405 8.82547 -6.53746 -9.29117 -6.53745 -36.2838 GPRESSAVG: 663800 2.50035 -7.7027 -9.18444 -9.36253 8.89125 -6.06283 -8.05645 -7.79573 -34.5855 TIMING: 663800 CPU: 1977.09, 0.00299611/step Wall: 1977.09, 0.00299611/step, 3.60881 hours remaining, 206.621094 MB of memory in use. ENERGY: 663800 739.6357 2047.6066 1942.0170 105.2612 -206159.4843 17750.1519 0.0000 0.0000 34202.5996 -149372.2123 298.6998 -183574.8119 -149271.5752 298.2553 -139.3170 -107.9815 557904.6506 -7.8651 -7.7313 PRESSURE: 664000 -64.9629 5.12162 81.183 5.12224 -43.9869 160.055 81.1834 160.054 11.3297 GPRESSURE: 664000 -106.766 20.7328 26.0962 -4.49456 31.2882 142.291 67.6968 160.967 74.3916 PRESSAVG: 664000 9.6456 -27.1225 -14.9835 -27.1225 35.5298 -14.6504 -14.9835 -14.6504 -38.8466 GPRESSAVG: 664000 11.2366 -27.3262 -15.5229 -26.8247 34.6571 -14.3784 -16.9574 -12.5026 -39.3761 TIMING: 664000 CPU: 1977.68, 0.00297236/step Wall: 1977.68, 0.00297236/step, 3.58004 hours remaining, 206.621094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 664000 745.0689 2109.1795 1921.1985 114.2995 -205909.8497 17664.2903 0.0000 0.0000 34083.3215 -149272.4915 297.6581 -183355.8131 -149176.0202 299.1606 -32.5400 -0.3619 557725.9244 2.1096 2.1725 PRESSURE: 664200 51.8094 -38.2191 -25.7561 -38.2184 -179.075 59.6942 -25.7548 59.6929 -237.098 GPRESSURE: 664200 82.8381 23.5623 -26.2405 -109.643 -114.606 31.4739 -6.77499 36.13 -220.963 PRESSAVG: 664200 39.7108 13.9651 32.0445 13.965 54.0647 -16.6696 32.0446 -16.6697 -71.8436 GPRESSAVG: 664200 40.1761 14.3686 30.6363 15.1334 53.0621 -17.9287 33.6628 -16.1765 -71.2298 TIMING: 664200 CPU: 1978.27, 0.00295874/step Wall: 1978.27, 0.00295874/step, 3.56348 hours remaining, 206.621094 MB of memory in use. ENERGY: 664200 725.0743 2057.9666 1924.9556 117.5854 -206066.7141 17558.9615 0.0000 0.0000 34396.2985 -149285.8721 300.3914 -183682.1706 -149195.3478 299.3633 -121.4544 -84.2437 558030.9765 7.3106 7.3361 LDB: ============= START OF LOAD BALANCING ============== 1981.82 LDB: ============== END OF LOAD BALANCING =============== 1981.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1981.82 LDB: ============= START OF LOAD BALANCING ============== 1982.12 LDB: Largest compute 4774 load 0.030136 is 25.5% of average load 0.118081 LDB: Average compute 0.001734 is 1.5% of average load 0.118081 LDB: TIME 1982.12 LOAD: AVG 0.118081 MAX 0.207132 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.559 MB LDB: TIME 1982.12 LOAD: AVG 0.118081 MAX 0.207132 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.559 MB LDB: TIME 1982.12 LOAD: AVG 0.118081 MAX 0.207132 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.559 MB LDB: ============== END OF LOAD BALANCING =============== 1982.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1982.13 PRESSURE: 664400 -229.642 -42.499 74.5566 -42.4989 -53.1752 -52.4365 74.5563 -52.4364 183.384 GPRESSURE: 664400 -227.616 -10.7141 78.8034 -44.2505 -14.2872 -124.33 75.5605 -44.9675 226.483 PRESSAVG: 664400 35.9887 -35.707 -24.2958 -35.707 -76.9966 42.1175 -24.2958 42.1176 58.9223 GPRESSAVG: 664400 35.25 -37.2715 -20.1502 -33.0615 -76.1578 41.9957 -26.6347 42.1147 58.2875 TIMING: 664400 CPU: 1978.88, 0.00301629/step Wall: 1978.88, 0.00301629/step, 3.63262 hours remaining, 206.050781 MB of memory in use. ENERGY: 664400 758.6915 2078.0323 1922.0649 109.8506 -206072.6607 17685.2717 0.0000 0.0000 34211.6995 -149307.0502 298.7793 -183518.7496 -149206.6190 299.2518 -33.1446 -5.1400 556893.8398 5.9715 5.7932 PRESSURE: 664600 -66.6404 -110.348 125.581 -110.348 211.582 -139.861 125.581 -139.86 68.5238 GPRESSURE: 664600 12.6469 -116.47 69.0154 -113.606 207.282 -178.254 170.141 -80.1428 81.5687 PRESSAVG: 664600 -36.05 -71.0983 44.4285 -71.0984 28.9799 27.1439 44.4285 27.144 25.8997 GPRESSAVG: 664600 -36.1553 -68.2579 41.2052 -74.863 28.9592 28.1029 46.5664 26.8109 26.081 TIMING: 664600 CPU: 1979.47, 0.0029612/step Wall: 1979.47, 0.0029612/step, 3.5661 hours remaining, 206.050781 MB of memory in use. ENERGY: 664600 742.1907 2115.6078 1924.6491 105.1901 -206347.2165 17930.8866 0.0000 0.0000 34205.9642 -149322.7280 298.7292 -183528.6922 -149227.2740 299.0551 71.1552 100.4993 557598.8091 6.2766 6.2950 PRESSURE: 664800 -276.182 -50.3737 -108.86 -50.3742 73.3625 -35.367 -108.861 -35.3671 -173.381 GPRESSURE: 664800 -257.434 17.387 -143.915 -49.2395 111.164 -2.41306 -74.7181 -5.46061 -146.014 PRESSAVG: 664800 25.9368 -33.4301 20.8666 -33.43 63.9319 50.4415 20.8666 50.4416 -49.3019 GPRESSAVG: 664800 25.744 -35.4689 22.5526 -32.8283 64.2206 51.0099 19.9502 50.646 -49.1714 TIMING: 664800 CPU: 1980.06, 0.00297578/step Wall: 1980.06, 0.00297578/step, 3.5835 hours remaining, 206.050781 MB of memory in use. ENERGY: 664800 755.5743 2087.8638 1927.7518 114.0185 -206067.2523 17582.4067 0.0000 0.0000 34257.5659 -149342.0712 299.1798 -183599.6371 -149247.2010 299.2011 -125.4001 -97.4279 557814.4355 13.5222 13.5977 PRESSURE: 665000 -48.2028 7.38953 54.8871 7.38834 50.3413 -102.812 54.8876 -102.811 79.1184 GPRESSURE: 665000 -48.2997 -67.3651 131.76 -19.3665 72.1209 -171.733 24.4481 -34.0853 169.156 PRESSAVG: 665000 29.3293 24.471 -63.6237 24.4709 -29.4019 -41.1385 -63.6236 -41.1386 -3.85814 GPRESSAVG: 665000 27.9102 26.6852 -66.2814 24.2312 -28.6492 -42.1256 -62.3762 -41.3682 -3.27475 TIMING: 665000 CPU: 1980.66, 0.00296117/step Wall: 1980.66, 0.00296117/step, 3.56574 hours remaining, 206.050781 MB of memory in use. ENERGY: 665000 756.0385 2092.8204 1906.1170 96.6785 -206126.5835 17889.4469 0.0000 0.0000 34333.6036 -149051.8785 299.8439 -183385.4821 -148956.3020 299.7797 27.0856 64.3258 558361.1214 -1.3103 -1.3379 PRESSURE: 665200 -62.9522 20.389 43.4341 20.3907 80.9095 -42.6589 43.4343 -42.6577 151.704 GPRESSURE: 665200 -96.4172 -18.0695 7.75249 5.98628 168.142 19.7614 84.056 -53.6302 193.939 PRESSAVG: 665200 -2.07488 22.1462 -50.2663 22.1462 37.1467 -17.2627 -50.2664 -17.2627 -4.22614 GPRESSAVG: 665200 -1.09463 21.986 -49.3613 21.4197 37.398 -18.0051 -50.2911 -16.367 -5.36115 TIMING: 665200 CPU: 1981.25, 0.00297184/step Wall: 1981.25, 0.00297184/step, 3.57843 hours remaining, 206.050781 MB of memory in use. ENERGY: 665200 739.6521 2050.3813 1918.1222 106.3395 -206064.7780 17829.8151 0.0000 0.0000 34409.4002 -149011.0676 300.5059 -183420.4678 -148909.1198 300.6668 56.5537 88.5546 557658.2720 10.2819 10.3141 PRESSURE: 665400 53.331 29.202 188.235 29.2016 56.4178 346.721 188.234 346.722 99.6803 GPRESSURE: 665400 52.2616 137.544 291.555 -23.3697 105.544 180.004 53.7072 325.237 140.321 PRESSAVG: 665400 22.8619 22.3245 -25.5451 22.3245 61.6125 19.5503 -25.545 19.5503 -52.1383 GPRESSAVG: 665400 22.3699 20.8608 -27.7164 24.684 61.0252 19.9942 -25.4749 19.3247 -51.1838 TIMING: 665400 CPU: 1981.85, 0.0029884/step Wall: 1981.85, 0.00298841/step, 3.59821 hours remaining, 206.050781 MB of memory in use. ENERGY: 665400 718.7556 2164.9090 1946.9783 114.7800 -206282.4366 17791.4500 0.0000 0.0000 34474.5031 -149071.0606 301.0744 -183545.5636 -148980.3073 299.6352 69.8097 99.3755 557435.4658 10.7787 10.7371 PRESSURE: 665600 -194.388 -100.118 26.9351 -100.117 -68.2571 119.989 26.9355 119.989 -125.339 GPRESSURE: 665600 -172.33 -68.9855 140.882 -28.7814 -7.40364 66.5727 -67.505 102.732 -110.203 PRESSAVG: 665600 -57.3422 37.0737 4.97855 37.0736 53.7132 59.0866 4.97862 59.0867 -26.4822 GPRESSAVG: 665600 -56.2796 34.376 7.8065 37.7632 54.441 59.2748 3.70129 58.0486 -28.0295 TIMING: 665600 CPU: 1982.45, 0.00300006/step Wall: 1982.45, 0.00300006/step, 3.61207 hours remaining, 206.050781 MB of memory in use. ENERGY: 665600 727.3157 2071.5233 1909.0379 111.2349 -205818.4336 17556.3985 0.0000 0.0000 34291.0211 -149151.9022 299.4720 -183442.9233 -149046.4697 299.3251 -129.3281 -96.6457 557533.2785 -10.0371 -9.9560 PRESSURE: 665800 -41.2024 -228.191 69.0485 -228.191 -44.4639 28.3213 69.0494 28.3205 -10.8404 GPRESSURE: 665800 35.0686 -267.571 56.5747 -239.349 -33.6146 47.0842 88.5457 42.8478 9.24434 PRESSAVG: 665800 -53.6595 -11.5754 -3.77514 -11.5752 28.6852 14.5286 -3.77517 14.5286 39.8613 GPRESSAVG: 665800 -53.1842 -9.24561 -5.16804 -12.7843 27.2475 16.0407 -2.44414 14.077 40.603 TIMING: 665800 CPU: 1983.04, 0.00297163/step Wall: 1983.04, 0.00297163/step, 3.57767 hours remaining, 206.050781 MB of memory in use. ENERGY: 665800 742.0612 2154.4073 1917.0788 110.3266 -206202.9924 17692.9851 0.0000 0.0000 34225.6995 -149360.4338 298.9015 -183586.1333 -149266.7460 299.4736 -32.1689 3.5661 556368.9660 4.9623 4.8888 PRESSURE: 666000 305.855 -145.069 230.785 -145.069 135.222 160.275 230.785 160.275 -34.5229 GPRESSURE: 666000 384.635 -130.44 303.19 -202.325 159.111 177.437 270.673 117.634 -44.0599 PRESSAVG: 666000 -75.1667 -4.29354 91.7364 -4.29355 -4.9645 0.0521128 91.7363 0.0520518 20.9627 GPRESSAVG: 666000 -76.4637 -4.14716 93.0001 -3.58452 -4.70115 -0.786342 91.6538 0.848485 21.6927 TIMING: 666000 CPU: 1983.63, 0.00294996/step Wall: 1983.63, 0.00294996/step, 3.55142 hours remaining, 206.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 666000 768.5756 2090.2918 1918.9366 105.1481 -206134.8080 17805.0666 0.0000 0.0000 34181.0174 -149265.7719 298.5113 -183446.7893 -149177.9723 298.6361 135.5180 166.5620 555344.7358 -19.7229 -19.8241 PRESSURE: 666200 -142.204 9.40607 16.3195 9.40533 -50.0995 -54.9912 16.3188 -54.9905 349.275 GPRESSURE: 666200 -101.157 107.956 -0.19469 -3.43707 -17.1223 -96.76 86.921 -67.7811 374.308 PRESSAVG: 666200 -6.91628 8.09819 36.24 8.09815 17.9606 -8.65793 36.2399 -8.65778 3.69586 GPRESSAVG: 666200 -7.45532 9.54255 35.9267 6.58525 17.9162 -9.46223 35.5403 -9.60081 4.34759 TIMING: 666200 CPU: 1984.23, 0.00298194/step Wall: 1984.23, 0.00298194/step, 3.58976 hours remaining, 206.050781 MB of memory in use. ENERGY: 666200 725.8795 2099.2454 1930.0686 116.2434 -206462.7638 17949.8262 0.0000 0.0000 34220.1784 -149421.3223 298.8533 -183641.5007 -149334.2025 298.9046 52.3238 85.3428 556158.8036 4.9134 4.9362 PRESSURE: 666400 -149.418 -84.5273 -25.6629 -84.5261 -64.8808 75.835 -25.6633 75.8357 202.879 GPRESSURE: 666400 -121.784 -107.393 -38.792 -78.2275 -59.7138 131.72 19.389 67.2719 256.887 PRESSAVG: 666400 -54.177 -31.1783 -22.527 -31.1783 -17.1645 -22.8609 -22.5271 -22.861 18.9332 GPRESSAVG: 666400 -54.3407 -32.2574 -23.5599 -30.9609 -16.0159 -21.6181 -21.6479 -24.0447 17.9847 TIMING: 666400 CPU: 1984.82, 0.00297844/step Wall: 1984.82, 0.00297844/step, 3.58538 hours remaining, 206.050781 MB of memory in use. ENERGY: 666400 754.7849 2037.5982 1932.4409 114.6916 -206057.3333 17816.7171 0.0000 0.0000 34069.2444 -149331.8561 297.5352 -183401.1005 -149231.8381 298.7677 -3.8066 25.1299 557807.7711 -17.4694 -17.4573 PRESSURE: 666600 153.978 -22.0204 48.7158 -22.0203 -382.612 3.08911 48.7163 3.0909 -60.713 GPRESSURE: 666600 163.638 15.0803 12.1343 -44.3304 -361.633 -61.3442 104.107 32.9116 4.53137 PRESSAVG: 666600 7.73849 5.36855 4.70812 5.3685 -72.3017 -1.5752 4.70808 -1.57529 48.2563 GPRESSAVG: 666600 7.3751 6.08229 4.4797 5.7537 -72.4003 -3.20397 5.29002 -0.125924 48.4719 TIMING: 666600 CPU: 1985.42, 0.00296814/step Wall: 1985.42, 0.00296814/step, 3.57281 hours remaining, 206.050781 MB of memory in use. ENERGY: 666600 776.6828 2037.2008 1957.8867 102.0501 -206072.8387 17552.8559 0.0000 0.0000 34124.1590 -149522.0033 298.0148 -183646.1623 -149431.1562 298.7564 -96.4492 -64.4880 556912.4159 -5.4356 -5.5178 PRESSURE: 666800 24.9756 5.67103 6.39676 5.67108 82.8825 125.503 6.39746 125.503 189.99 GPRESSURE: 666800 23.3723 -4.03582 79.5254 51.5687 72.6128 158.669 -15.7387 49.6581 302.193 PRESSAVG: 666800 54.9829 -22.5294 7.8148 -22.5295 -29.4793 11.108 7.8148 11.108 -1.348 GPRESSAVG: 666800 56.4073 -22.8826 9.52128 -20.0883 -31.517 12.2925 6.66181 11.9841 -1.15962 TIMING: 666800 CPU: 1986.01, 0.00297703/step Wall: 1986.01, 0.00297703/step, 3.58335 hours remaining, 206.050781 MB of memory in use. ENERGY: 666800 775.9317 2080.8412 1942.8806 120.9445 -206686.0301 17944.8669 0.0000 0.0000 34318.3788 -149502.1865 299.7109 -183820.5653 -149400.5764 298.6701 99.2827 132.7260 556518.0746 8.0519 7.9102 PRESSURE: 667000 -68.3846 -20.7994 -42.4136 -20.7983 -78.8035 21.6091 -42.4129 21.6081 82.7846 GPRESSURE: 667000 -99.7533 -92.6309 -32.793 -67.821 -19.472 61.4413 -18.1578 42.7497 153.022 PRESSAVG: 667000 22.412 -29.0557 -3.16962 -29.0557 -37.5807 27.4516 -3.16966 27.4516 22.5647 GPRESSAVG: 667000 22.2168 -29.4414 -2.16264 -31.6505 -37.6513 25.1253 -2.77912 28.6324 23.181 TIMING: 667000 CPU: 1986.6, 0.00296069/step Wall: 1986.6, 0.00296069/step, 3.56352 hours remaining, 206.050781 MB of memory in use. ENERGY: 667000 739.4048 2151.9463 1933.4826 121.7551 -206754.6112 18012.1878 0.0000 0.0000 34250.0427 -149545.7918 299.1141 -183795.8345 -149454.1489 298.7781 -21.4678 11.2654 555779.3382 2.4653 2.5822 PRESSURE: 667200 108.166 -114.067 -84.3281 -114.067 40.3858 54.3087 -84.328 54.3113 -53.1688 GPRESSURE: 667200 152.9 -148.249 -39.3744 -7.79215 75.3328 -84.9996 36.8121 92.4917 -39.7358 PRESSAVG: 667200 -2.02526 -51.91 31.6023 -51.91 50.082 42.9985 31.6025 42.9985 -31.6725 GPRESSAVG: 667200 -2.69694 -51.7275 28.8465 -51.7989 50.8387 45.1568 30.0193 38.6516 -32.3022 TIMING: 667200 CPU: 1987.2, 0.00296025/step Wall: 1987.2, 0.00296025/step, 3.56283 hours remaining, 206.050781 MB of memory in use. ENERGY: 667200 732.8761 2104.2934 1966.3652 121.1223 -206537.4950 17937.8115 0.0000 0.0000 34161.3660 -149513.6606 298.3397 -183675.0266 -149418.2830 298.2844 31.7944 62.8322 555419.5145 5.4614 5.2798 PRESSURE: 667400 1.06042 88.2179 -8.76379 88.2191 -18.9217 178.251 -8.76245 178.25 64.7113 GPRESSURE: 667400 10.7472 146.076 -34.3518 50.449 41.492 209.367 -18.1514 162.001 93.2879 PRESSAVG: 667400 -0.59911 2.43499 12.9574 2.43502 -10.7223 73.5295 12.9575 73.5294 16.9561 GPRESSAVG: 667400 0.28644 2.51212 14.5105 4.72868 -11.3996 73.2771 14.5828 74.8174 16.367 TIMING: 667400 CPU: 1987.79, 0.0029715/step Wall: 1987.79, 0.0029715/step, 3.5762 hours remaining, 206.050781 MB of memory in use. ENERGY: 667400 724.3100 2107.9189 1954.7086 106.3353 -206393.1171 17716.6679 0.0000 0.0000 34197.9971 -149585.1793 298.6596 -183783.1764 -149487.9259 298.6063 15.6167 48.5090 556138.1541 1.8782 1.7513 PRESSURE: 667600 151.129 -62.776 -23.6057 -62.7758 113.717 81.8824 -23.6057 81.8831 68.6769 GPRESSURE: 667600 209.089 -67.8196 -29.9031 -73.5021 100.323 99.1019 -67.2226 28.7901 123.182 PRESSAVG: 667600 43.54 10.2616 -16.8818 10.2617 -45.87 46.3454 -16.8818 46.3455 31.2084 GPRESSAVG: 667600 43.0105 9.97291 -16.4847 9.24846 -47.1235 47.131 -17.3542 47.083 32.2259 TIMING: 667600 CPU: 1988.39, 0.00299009/step Wall: 1988.39, 0.00299009/step, 3.59841 hours remaining, 206.050781 MB of memory in use. ENERGY: 667600 754.5803 2112.2115 1918.5658 110.7551 -206483.7101 18031.3246 0.0000 0.0000 33923.6116 -149632.6613 296.2633 -183556.2729 -149533.2357 298.2191 111.1745 144.1980 557079.0395 9.6262 9.3710 PRESSURE: 667800 24.6003 -101.71 89.712 -101.712 -5.29208 1.76303 89.7128 1.76356 -367.215 GPRESSURE: 667800 52.1379 -95.0533 94.5057 -58.1835 -7.43432 32.9964 137.675 25.1665 -281.083 PRESSAVG: 667800 18.3139 9.59341 11.2728 9.59347 -22.6706 25.4561 11.2729 25.4561 -33.8594 GPRESSAVG: 667800 18.4188 8.94485 12.1771 9.44704 -22.9438 23.2803 9.71912 24.1612 -33.8251 TIMING: 667800 CPU: 1988.98, 0.0029784/step Wall: 1988.98, 0.0029784/step, 3.58417 hours remaining, 206.050781 MB of memory in use. ENERGY: 667800 733.6756 2069.9420 1908.2345 118.3117 -206338.2193 17670.3953 0.0000 0.0000 34227.7642 -149609.8960 298.9196 -183837.6603 -149518.6202 297.5963 -115.9691 -78.7930 556660.4446 -12.7387 -12.7834 PRESSURE: 668000 -86.9011 32.1364 -14.1519 32.1375 71.3722 198.804 -14.1519 198.803 -83.8231 GPRESSURE: 668000 -36.3965 24.8334 -4.86626 35.2397 69.0644 304.655 -27.1192 201.72 -46.5101 PRESSAVG: 668000 -36.9058 44.3502 10.2955 44.3502 12.5571 59.9124 10.2955 59.9124 -21.2936 GPRESSAVG: 668000 -36.9718 45.0336 8.98901 44.473 13.427 61.0599 9.82215 62.303 -21.673 TIMING: 668000 CPU: 1989.58, 0.00297847/step Wall: 1989.58, 0.00297847/step, 3.5841 hours remaining, 206.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 668000 738.7933 2075.2855 1936.8792 112.1863 -206439.9377 17785.1430 0.0000 0.0000 34253.5883 -149538.0620 299.1451 -183791.6504 -149436.5993 298.1897 -33.1173 -4.6141 557594.6197 -15.2141 -15.0726 PRESSURE: 668200 32.4661 -110.064 -207.388 -110.063 -268.006 -104.004 -207.389 -104.003 -63.4607 GPRESSURE: 668200 34.0682 -99.0159 -100.248 -125.49 -190.427 -130.822 -276.746 -91.2456 -51.6672 PRESSAVG: 668200 -2.49222 36.6691 26.9571 36.6691 -9.04851 13.711 26.9572 13.7111 -7.25323 GPRESSAVG: 668200 -2.50038 36.4071 26.5436 34.8061 -9.24412 14.1302 27.5879 13.486 -7.43083 TIMING: 668200 CPU: 1990.18, 0.00298945/step Wall: 1990.18, 0.00298945/step, 3.59714 hours remaining, 206.050781 MB of memory in use. ENERGY: 668200 700.1237 2102.0098 1926.2823 120.1885 -206170.2499 17737.7940 0.0000 0.0000 34117.1221 -149466.7295 297.9533 -183583.8516 -149374.8949 298.3169 -99.6669 -69.3419 558032.7612 -6.2647 -6.3918 LDB: ============= START OF LOAD BALANCING ============== 1993.73 LDB: ============== END OF LOAD BALANCING =============== 1993.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1993.73 LDB: ============= START OF LOAD BALANCING ============== 1994.03 LDB: Largest compute 4796 load 0.030081 is 25.5% of average load 0.118068 LDB: Average compute 0.001729 is 1.5% of average load 0.118068 LDB: TIME 1994.03 LOAD: AVG 0.118068 MAX 0.20772 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.562 MB LDB: TIME 1994.03 LOAD: AVG 0.118068 MAX 0.20772 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.566 MB LDB: TIME 1994.03 LOAD: AVG 0.118068 MAX 0.20772 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.566 MB LDB: ============== END OF LOAD BALANCING =============== 1994.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1994.04 PRESSURE: 668400 117.631 24.0205 -199.845 24.0206 -250.839 147.881 -199.844 147.881 156.856 GPRESSURE: 668400 175.803 88.3022 -181.635 -11.5715 -211.416 88.9092 -71.1353 191.955 137.104 PRESSAVG: 668400 -38.7016 -24.5908 -33.1924 -24.5908 -33.9403 -29.2407 -33.1924 -29.2407 93.9761 GPRESSAVG: 668400 -39.2211 -25.0583 -33.2309 -23.2917 -33.3084 -30.7196 -33.7696 -28.1354 93.4691 TIMING: 668400 CPU: 1990.79, 0.00304276/step Wall: 1990.79, 0.00304276/step, 3.66111 hours remaining, 207.332031 MB of memory in use. ENERGY: 668400 722.9985 2078.9720 1933.9567 109.5781 -206056.9035 17744.4896 0.0000 0.0000 34186.6539 -149280.2548 298.5606 -183466.9087 -149185.3892 298.5851 7.8827 33.8302 557293.6256 7.1114 6.9799 PRESSURE: 668600 -50.6119 -13.1815 105.641 -13.1802 19.0881 78.838 105.641 78.8375 -67.4756 GPRESSURE: 668600 32.4799 6.82489 80.6809 30.8616 19.1349 104.977 99.6969 11.4905 -53.167 PRESSAVG: 668600 -30.8821 -13.5383 -10.9079 -13.5383 -1.46175 -32.8306 -10.9081 -32.8305 -0.422434 GPRESSAVG: 668600 -30.1502 -12.413 -9.59259 -12.5197 -1.21937 -31.0153 -9.895 -35.197 -1.16265 TIMING: 668600 CPU: 1991.39, 0.00299828/step Wall: 1991.39, 0.00299828/step, 3.60744 hours remaining, 207.332031 MB of memory in use. ENERGY: 668600 719.1753 2083.9348 1923.7578 110.3208 -206283.9579 17700.6498 0.0000 0.0000 34326.8537 -149419.2657 299.7850 -183746.1194 -149315.4579 298.7995 -32.9998 -0.5174 558171.0394 -10.9221 -10.8441 PRESSURE: 668800 94.9418 -114.136 123.586 -114.136 -45.6756 26.0999 123.585 26.0994 -166.447 GPRESSURE: 668800 140.207 -111.766 155.954 -46.8469 -83.8015 53.3975 104.492 -28.8639 -78.1004 PRESSAVG: 668800 0.00856769 34.3397 54.928 34.3397 66.6722 -18.0087 54.928 -18.0087 -44.9996 GPRESSAVG: 668800 0.48273 30.9823 54.1088 36.3511 65.6973 -20.2773 54.8187 -18.9021 -44.8549 TIMING: 668800 CPU: 1991.99, 0.00300301/step Wall: 1991.99, 0.00300301/step, 3.61295 hours remaining, 207.332031 MB of memory in use. ENERGY: 668800 732.2405 2094.7589 1946.1032 117.9282 -206156.9476 17684.1251 0.0000 0.0000 34195.9111 -149385.8805 298.6414 -183581.7916 -149284.3514 298.4306 -39.0602 -7.2315 557319.2708 7.2271 7.1084 PRESSURE: 669000 22.1591 36.7256 -32.0907 36.725 13.4113 185.158 -32.092 185.159 -242.391 GPRESSURE: 669000 80.4983 -4.82261 -27.6433 31.4223 72.0889 158.363 41.9377 149.584 -269.676 PRESSAVG: 669000 -8.87061 -18.1756 15.5156 -18.1757 30.6452 1.94509 15.5156 1.94521 -21.7352 GPRESSAVG: 669000 -9.55212 -17.0808 17.4665 -19.203 31.9061 3.39725 16.5164 4.63896 -22.0738 TIMING: 669000 CPU: 1992.58, 0.00298569/step Wall: 1992.58, 0.00298569/step, 3.59195 hours remaining, 207.332031 MB of memory in use. ENERGY: 669000 741.2377 2152.0983 1910.4993 118.1520 -206352.9182 17678.3825 0.0000 0.0000 34386.1677 -149366.3808 300.3030 -183752.5485 -149273.2359 298.9127 -68.9402 -39.0297 557094.0215 0.0131 0.0934 PRESSURE: 669200 -56.0347 60.0547 -83.2399 60.0548 -238.527 -30.3001 -83.2406 -30.3007 -8.94417 GPRESSURE: 669200 -65.9775 144.382 -100.794 38.0771 -180.716 4.21999 -99.921 29.8071 36.8191 PRESSAVG: 669200 57.3994 -9.71076 -18.8881 -9.71067 -18.5333 5.58166 -18.8881 5.5817 11.0906 GPRESSAVG: 669200 57.7391 -7.81552 -21.7332 -11.1577 -18.8938 6.38037 -16.3195 3.37362 11.6161 TIMING: 669200 CPU: 1993.18, 0.00299586/step Wall: 1993.18, 0.00299586/step, 3.60402 hours remaining, 207.332031 MB of memory in use. ENERGY: 669200 760.7837 2125.8652 1920.8326 115.4315 -206505.9424 17898.6471 0.0000 0.0000 34302.7227 -149381.6595 299.5742 -183684.3823 -149282.6271 298.8259 -101.1687 -69.9582 558410.3357 16.6522 16.8205 PRESSURE: 669400 -92.36 143.192 -70.2255 143.191 90.9993 -91.1651 -70.2243 -91.1635 -119.392 GPRESSURE: 669400 -85.5273 170.271 -105.971 77.1942 119.24 -26.8989 -23.1873 -92.4172 -57.7871 PRESSAVG: 669400 -18.292 27.7664 -25.1692 27.7665 63.5073 -17.1144 -25.1692 -17.1145 -54.9313 GPRESSAVG: 669400 -18.2838 27.5767 -24.8972 27.9662 62.3739 -20.3299 -27.5347 -15.2306 -53.6308 TIMING: 669400 CPU: 1993.78, 0.00296508/step Wall: 1993.78, 0.00296508/step, 3.56683 hours remaining, 207.332031 MB of memory in use. ENERGY: 669400 726.2289 2151.1495 1912.4167 106.9048 -206285.7985 17762.4065 0.0000 0.0000 34214.2564 -149412.4357 298.8016 -183626.6921 -149324.5926 298.9830 -40.2510 -8.0249 557664.6238 -3.2387 -3.1802 PRESSURE: 669600 -131.726 -128.633 -25.9669 -128.633 -43.7064 -101.652 -25.9667 -101.652 227.908 GPRESSURE: 669600 -126.875 -106.6 -70.5548 -115.227 24.4022 -149.672 -26.7033 -85.5226 239.496 PRESSAVG: 669600 -22.6404 -22.2485 -36.4652 -22.2485 14.4345 18.6362 -36.4653 18.6362 0.945872 GPRESSAVG: 669600 -23.1094 -23.0716 -37.3229 -20.9662 16.3331 22.6754 -36.7192 17.9659 -0.706068 TIMING: 669600 CPU: 1994.37, 0.002963/step Wall: 1994.37, 0.002963/step, 3.56416 hours remaining, 207.332031 MB of memory in use. ENERGY: 669600 754.4560 2135.6693 1936.2982 114.5168 -206471.8098 17897.9251 0.0000 0.0000 34178.4401 -149454.5043 298.4888 -183632.9444 -149361.8312 298.6653 17.4921 45.6744 556966.0046 -2.4200 -2.4941 PRESSURE: 669800 -194.325 11.7556 -33.1921 11.7559 44.7878 -67.1361 -33.1921 -67.1365 -244.653 GPRESSURE: 669800 -149.692 13.1991 1.10657 12.202 -28.9348 -62.0682 -12.1236 -135.953 -118.792 PRESSAVG: 669800 -12.8723 0.460628 -10.4589 0.460567 72.9415 -57.666 -10.4589 -57.6662 -16.5625 GPRESSAVG: 669800 -12.7486 0.236185 -8.96375 0.230756 72.2076 -59.5312 -11.8947 -56.3792 -16.3471 TIMING: 669800 CPU: 1994.96, 0.0029494/step Wall: 1994.96, 0.0029494/step, 3.54764 hours remaining, 207.332031 MB of memory in use. ENERGY: 669800 762.9147 2068.6935 1963.0444 120.0248 -206071.3399 17675.5778 0.0000 0.0000 34133.9111 -149347.1735 298.0999 -183481.0846 -149249.1048 299.6167 -131.3966 -99.1394 557989.4392 14.5022 14.3706 PRESSURE: 670000 94.832 -27.1581 27.1725 -27.158 105.849 41.7833 27.1728 41.7816 24.6726 GPRESSURE: 670000 140.092 -30.7622 68.7725 0.506244 197.417 63.7651 -1.0132 -22.3416 -5.27383 PRESSAVG: 670000 -13.7944 -6.33616 -4.89211 -6.33608 34.7239 -19.2339 -4.89217 -19.2339 -28.9791 GPRESSAVG: 670000 -14.5678 -5.21299 -4.18939 -7.13558 35.3086 -19.3517 -4.19268 -21.0698 -29.0827 TIMING: 670000 CPU: 1995.55, 0.00294892/step Wall: 1995.55, 0.00294892/step, 3.5469 hours remaining, 207.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 670000 723.3262 2182.7757 1933.1103 115.8887 -206260.7863 17810.0262 0.0000 0.0000 34173.7509 -149321.9085 298.4479 -183495.6594 -149221.9718 298.9851 75.1179 110.7451 556834.8594 -2.6832 -2.7806 PRESSURE: 670200 -122.015 -166.339 -118.612 -166.336 -31.8658 13.6122 -118.612 13.6134 61.3486 GPRESSURE: 670200 -29.4035 -186.915 -126.913 -157.655 -34.7199 50.5467 -187.436 114.535 63.1632 PRESSAVG: 670200 -32.5439 27.9577 11.4011 27.9577 7.76268 -14.2517 11.4011 -14.2515 30.4438 GPRESSAVG: 670200 -31.9714 28.7351 8.93668 27.5079 7.39213 -14.7348 12.4987 -11.3438 29.3 TIMING: 670200 CPU: 1996.14, 0.00295851/step Wall: 1996.14, 0.00295851/step, 3.55826 hours remaining, 207.332031 MB of memory in use. ENERGY: 670200 770.8853 2081.2928 1947.6712 121.2168 -206077.1972 17807.6575 0.0000 0.0000 34113.0479 -149235.4257 297.9177 -183348.4736 -149138.0821 298.9703 -30.8442 -0.3201 558164.0505 1.8875 1.5736 PRESSURE: 670400 108.713 -119.105 -59.6278 -119.105 118.197 -5.39055 -59.6284 -5.39111 -8.58451 GPRESSURE: 670400 114.754 -85.7587 -80.5723 -138.439 141.082 18.7498 -81.6948 -23.5352 65.0998 PRESSAVG: 670400 36.7085 1.23776 37.2292 1.23778 -11.1253 42.6663 37.2292 42.6662 -37.9237 GPRESSAVG: 670400 36.7947 -0.0706267 38.6147 2.84561 -11.0246 43.7464 37.4855 41.9207 -37.9063 TIMING: 670400 CPU: 1996.73, 0.00295994/step Wall: 1996.73, 0.00295994/step, 3.55982 hours remaining, 207.332031 MB of memory in use. ENERGY: 670400 742.0516 2164.3208 1940.0020 112.8909 -206733.4915 18130.1654 0.0000 0.0000 34425.1614 -149218.8995 300.6435 -183644.0609 -149130.1116 299.2646 72.7751 106.9786 558059.0951 -4.1135 -4.0454 PRESSURE: 670600 95.7145 179.446 63.2262 179.446 -131.311 200.106 63.2262 200.107 -221.054 GPRESSURE: 670600 114.73 168.215 53.1259 120.846 -93.4107 145.888 80.714 169.58 -170.461 PRESSAVG: 670600 58.6352 45.8936 -41.088 45.8936 26.2343 83.4698 -41.0879 83.4698 -72.6039 GPRESSAVG: 670600 57.6133 46.0729 -42.4321 45.608 26.7304 83.1019 -42.0511 82.0213 -71.8457 TIMING: 670600 CPU: 1997.33, 0.00297639/step Wall: 1997.33, 0.00297639/step, 3.57944 hours remaining, 207.332031 MB of memory in use. ENERGY: 670600 761.7611 2074.5663 1967.4687 125.2619 -206185.3130 17740.1038 0.0000 0.0000 34117.1383 -149399.0130 297.9535 -183516.1513 -149297.9734 298.4867 -85.5500 -49.7137 559068.8794 4.0885 4.1660 PRESSURE: 670800 -142.34 -2.79097 88.2642 -2.78964 -174.524 2.91142 88.2656 2.91017 -133.729 GPRESSURE: 670800 -73.3424 -94.0952 124.401 45.1977 -165.883 1.12682 84.1744 10.0693 -119.401 PRESSAVG: 670800 48.1774 -20.5578 24.4488 -20.5578 -13.6122 -21.1327 24.4489 -21.1326 -27.7494 GPRESSAVG: 670800 48.0926 -21.9832 22.9849 -20.3919 -14.5055 -20.3134 23.6241 -20.285 -26.7866 TIMING: 670800 CPU: 1997.92, 0.0029623/step Wall: 1997.92, 0.0029623/step, 3.56233 hours remaining, 207.332031 MB of memory in use. ENERGY: 670800 726.5746 2138.8371 1919.1467 118.0490 -205891.4479 17411.5894 0.0000 0.0000 34120.5132 -149456.7379 297.9829 -183577.2511 -149366.9574 298.3644 -150.1976 -119.5421 558027.4484 2.2720 2.2668 PRESSURE: 671000 -74.6657 203.464 44.2776 203.464 1.71094 63.0911 44.2794 63.0897 -133.828 GPRESSURE: 671000 -30.4782 240.322 15.4938 117.333 9.20478 74.7211 -14.7887 72.2066 -94.633 PRESSAVG: 671000 99.7698 50.4179 1.03574 50.4179 -91.5132 -31.6598 1.03581 -31.6597 -15.007 GPRESSAVG: 671000 100.297 51.3759 3.65249 49.1559 -91.6448 -30.7987 1.51078 -32.7745 -15.8058 TIMING: 671000 CPU: 1998.52, 0.00297807/step Wall: 1998.52, 0.00297807/step, 3.58113 hours remaining, 207.332031 MB of memory in use. ENERGY: 671000 742.8426 2121.2116 1929.7608 108.4053 -206161.4277 17705.1978 0.0000 0.0000 34184.2038 -149369.8058 298.5392 -183554.0096 -149276.3101 298.5799 -68.9276 -38.6355 557189.8619 -2.2501 -2.3845 PRESSURE: 671200 -102.923 -123.804 191.191 -123.803 -3.80031 -134.55 191.192 -134.55 -120.088 GPRESSURE: 671200 -52.0353 -156.919 210.219 -16.7648 -7.22023 -108.405 197.421 -198.003 -68.135 PRESSAVG: 671200 13.644 -51.9453 -44.6092 -51.9454 -40.6538 -4.64406 -44.6092 -4.64395 12.5884 GPRESSAVG: 671200 13.4673 -52.993 -45.397 -48.1859 -40.6113 -5.37332 -45.112 -5.5686 12.5965 TIMING: 671200 CPU: 1999.11, 0.00296647/step Wall: 1999.11, 0.00296647/step, 3.56702 hours remaining, 207.332031 MB of memory in use. ENERGY: 671200 738.0996 2165.3447 1944.3397 122.5787 -206279.7063 17729.7627 0.0000 0.0000 34345.4389 -149234.1419 299.9473 -183579.5808 -149134.3540 298.9254 -75.6038 -42.4635 556924.7744 -4.8071 -4.8492 PRESSURE: 671400 -108.859 -108.042 -47.4728 -108.041 -90.612 75.2728 -47.4709 75.2727 73.0244 GPRESSURE: 671400 -68.5611 -95.4868 -48.483 -31.3835 -50.8939 111.263 -107.738 101.063 99.3272 PRESSAVG: 671400 -41.8964 -64.0157 -31.6037 -64.0158 13.743 -1.8764 -31.6038 -1.8764 61.1871 GPRESSAVG: 671400 -40.7989 -64.9909 -31.0156 -67.4 13.8959 -1.84662 -31.2232 -3.22006 59.8454 TIMING: 671400 CPU: 1999.7, 0.00297107/step Wall: 1999.7, 0.00297107/step, 3.57239 hours remaining, 207.332031 MB of memory in use. ENERGY: 671400 742.9201 2090.4629 1945.8945 106.3583 -206165.7907 17795.1134 0.0000 0.0000 34364.8482 -149120.1933 300.1168 -183485.0415 -149020.9354 299.3128 -42.1488 -6.7093 558100.3049 11.0112 10.9808 PRESSURE: 671600 -160.532 -110.444 15.08 -110.444 -38.0462 -20.6272 15.0797 -20.6269 -43.8803 GPRESSURE: 671600 -142.902 -130.665 17.8932 -146.848 -18.1455 -73.5721 -28.6287 -21.0851 12.5442 PRESSAVG: 671600 29.2595 -46.8373 -12.2525 -46.8373 -45.8041 -75.7002 -12.2525 -75.7003 -14.84 GPRESSAVG: 671600 27.3635 -45.9042 -10.3767 -46.6965 -44.8674 -76.6896 -13.2461 -72.6406 -14.1719 TIMING: 671600 CPU: 2000.3, 0.00299065/step Wall: 2000.3, 0.00299065/step, 3.59576 hours remaining, 207.332031 MB of memory in use. ENERGY: 671600 715.0256 2112.1403 1934.3860 135.1984 -205596.0898 17523.7913 0.0000 0.0000 34008.6142 -149166.9340 297.0057 -183175.5482 -149074.6490 299.9052 -80.8196 -49.5010 558633.1983 -10.4616 -10.5586 PRESSURE: 671800 -164.282 -64.1994 9.03645 -64.1975 177.911 3.32828 9.03654 3.32814 188.141 GPRESSURE: 671800 -144.434 -90.9657 1.46338 -4.10748 203.177 -4.35424 -16.8489 58.1765 234.532 PRESSAVG: 671800 31.8764 -16.0622 -0.182794 -16.0623 -41.9407 -48.3692 -0.182807 -48.3692 17.5218 GPRESSAVG: 671800 31.9062 -14.5453 -0.607761 -16.5234 -43.8409 -47.0133 0.511412 -49.4625 19.5651 TIMING: 671800 CPU: 2000.9, 0.00298968/step Wall: 2000.9, 0.00298968/step, 3.59443 hours remaining, 207.332031 MB of memory in use. ENERGY: 671800 744.6666 2122.4023 1913.1023 100.0923 -206148.8633 17809.8064 0.0000 0.0000 34406.7648 -149052.0286 300.4828 -183458.7933 -148955.2869 299.2288 67.2566 97.7583 556809.1919 2.4858 2.5435 PRESSURE: 672000 -272.863 -20.1145 60.3665 -20.1161 -377.642 -84.8399 60.3643 -84.8389 -188.742 GPRESSURE: 672000 -185.263 -28.5777 99.395 -81.5528 -333.524 -69.5387 78.8771 -23.6241 -222.773 PRESSAVG: 672000 -51.1391 -15.465 8.27136 -15.465 -67.7039 -14.1256 8.27129 -14.1256 98.5632 GPRESSAVG: 672000 -50.3377 -17.2447 6.96453 -13.9849 -67.5356 -13.7627 7.57759 -14.2991 97.8655 TIMING: 672000 CPU: 2001.5, 0.00298362/step Wall: 2001.5, 0.00298362/step, 3.58697 hours remaining, 207.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 672000 771.6186 2122.6691 1907.8321 123.5658 -205790.4422 17561.0756 0.0000 0.0000 34508.6646 -148795.0164 301.3728 -183303.6810 -148701.1494 301.0121 -279.7492 -247.1865 558491.9279 -6.7599 -6.6693 PRESSURE: 672200 -261.213 -27.3066 155.769 -27.307 -406.294 86.9757 155.769 86.9746 -98.8833 GPRESSURE: 672200 -203.854 -58.1405 163.353 -12.8021 -407.97 114.002 64.1879 47.5506 -56.9446 PRESSAVG: 672200 15.9767 -13.4936 19.0654 -13.4936 -54.2088 27.3446 19.0654 27.3445 50.2012 GPRESSAVG: 672200 16.4763 -11.3749 19.4302 -14.9251 -54.3404 28.0759 18.786 27.2056 49.7507 TIMING: 672200 CPU: 2002.1, 0.00300637/step Wall: 2002.1, 0.00300637/step, 3.61416 hours remaining, 207.332031 MB of memory in use. ENERGY: 672200 803.9983 2055.6002 1925.6483 129.7293 -205715.7802 17635.1785 0.0000 0.0000 34371.0598 -148794.5656 300.1710 -183165.6255 -148698.1151 301.1610 -255.4637 -222.9229 559314.0296 3.9897 3.9622 LDB: ============= START OF LOAD BALANCING ============== 2005.65 LDB: ============== END OF LOAD BALANCING =============== 2005.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2005.65 LDB: ============= START OF LOAD BALANCING ============== 2005.96 LDB: Largest compute 4796 load 0.029568 is 25.1% of average load 0.118014 LDB: Average compute 0.001735 is 1.5% of average load 0.118014 LDB: TIME 2005.96 LOAD: AVG 0.118014 MAX 0.20761 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.137 MB LDB: TIME 2005.96 LOAD: AVG 0.118014 MAX 0.20761 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.137 MB LDB: TIME 2005.96 LOAD: AVG 0.118014 MAX 0.20761 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.137 MB LDB: ============== END OF LOAD BALANCING =============== 2005.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2005.96 PRESSURE: 672400 416.711 -67.1697 77.4267 -67.1685 359.622 -10.7453 77.4261 -10.7446 327.681 GPRESSURE: 672400 438.832 -50.8215 87.3508 -91.5526 386.519 -25.1222 24.9792 -68.0535 366.019 PRESSAVG: 672400 -9.50384 -16.7961 -15.1432 -16.796 12.5291 6.59457 -15.1432 6.59447 36.7827 GPRESSAVG: 672400 -9.66356 -18.3608 -15.4358 -16.6361 13.007 3.65945 -13.2705 7.03739 36.4167 TIMING: 672400 CPU: 2002.71, 0.00308509/step Wall: 2002.71, 0.00308509/step, 3.70862 hours remaining, 207.011719 MB of memory in use. ENERGY: 672400 756.5420 2169.4284 1919.5008 97.8477 -206398.5314 18330.4283 0.0000 0.0000 34445.1311 -148679.6530 300.8179 -183124.7842 -148585.5521 300.5984 368.0050 397.1234 557286.2329 13.2693 13.2534 PRESSURE: 672600 -33.3302 63.2213 -49.263 63.2207 -56.7339 95.7639 -49.2628 95.7635 -105.312 GPRESSURE: 672600 -14.6064 133.915 -124.901 -1.43941 54.7211 84.327 -19.1643 71.4289 -129.635 PRESSAVG: 672600 -13.8189 34.9426 40.7943 34.9426 -36.2945 -0.716376 40.7942 -0.716259 26.7418 GPRESSAVG: 672600 -13.2041 36.5494 40.5182 33.9592 -36.2824 -0.978164 42.6361 -0.58833 26.453 TIMING: 672600 CPU: 2003.32, 0.00301585/step Wall: 2003.32, 0.00301585/step, 3.62522 hours remaining, 207.269531 MB of memory in use. ENERGY: 672600 777.1997 2131.0918 1970.0494 122.2868 -205884.1668 17770.6112 0.0000 0.0000 34228.5557 -148884.3723 298.9265 -183112.9280 -148791.3133 300.1583 -65.1254 -29.8400 558634.8751 -7.7905 -7.6779 PRESSURE: 672800 -235.87 -38.4444 -0.707005 -38.4442 -271.77 114.446 -0.708124 114.446 -226.378 GPRESSURE: 672800 -179.224 -8.89175 -52.2045 -67.7712 -279.736 64.1141 -40.2263 140.255 -173.108 PRESSAVG: 672800 -8.13688 -6.15952 5.69882 -6.15953 44.8665 29.3451 5.69877 29.3451 -17.0289 GPRESSAVG: 672800 -7.87769 -6.18359 5.98874 -4.88223 44.1944 31.2129 3.6846 28.3781 -16.6209 TIMING: 672800 CPU: 2003.92, 0.00299056/step Wall: 2003.92, 0.00299056/step, 3.59466 hours remaining, 207.269531 MB of memory in use. ENERGY: 672800 778.4641 2078.4806 1931.0057 103.4710 -205880.1614 17540.2104 0.0000 0.0000 34512.7004 -148935.8292 301.4080 -183448.5296 -148839.4792 300.2980 -244.6725 -210.6892 557893.1701 6.5669 6.5653 PRESSURE: 673000 72.4405 56.8115 55.9109 56.8126 45.6102 -36.8368 55.9104 -36.8366 60.1907 GPRESSURE: 673000 154.085 112.573 89.621 -3.44148 21.4948 -104.129 71.2233 -34.6219 83.5996 PRESSAVG: 673000 66.5561 -1.92257 -9.72981 -1.92251 -36.5491 3.62804 -9.72976 3.62809 -14.0486 GPRESSAVG: 673000 65.1752 -2.21652 -10.6566 -3.51775 -36.4279 3.68547 -9.12356 5.80761 -13.0056 TIMING: 673000 CPU: 2004.51, 0.00296336/step Wall: 2004.51, 0.00296336/step, 3.56179 hours remaining, 207.269531 MB of memory in use. ENERGY: 673000 730.7927 2100.3137 1961.2381 110.4307 -206021.8911 17724.2164 0.0000 0.0000 34300.4880 -149094.4114 299.5547 -183394.8994 -148994.2225 300.1450 59.4138 86.3932 556400.5418 5.3195 5.2472 PRESSURE: 673200 197.591 -1.69125 -76.7982 -1.69148 65.4138 8.81131 -76.7988 8.81213 -0.904464 GPRESSURE: 673200 246.934 -54.6167 -93.061 78.7044 96.5275 1.98553 8.15876 20.2048 17.3772 PRESSAVG: 673200 -34.9586 18.7518 44.2832 18.7519 -25.6752 18.2457 44.2834 18.2458 59.6646 GPRESSAVG: 673200 -34.43 18.2353 43.0562 20.2136 -25.6506 17.3426 44.6121 17.0631 58.9442 TIMING: 673200 CPU: 2005.12, 0.00304501/step Wall: 2005.12, 0.00304501/step, 3.65977 hours remaining, 207.269531 MB of memory in use. ENERGY: 673200 717.2824 2102.9277 1966.6750 110.8020 -205942.7268 17598.0098 0.0000 0.0000 34463.9395 -148983.0904 300.9822 -183447.0298 -148881.4386 299.7078 87.3668 120.2796 555778.4294 -0.3231 -0.3788 PRESSURE: 673400 3.82983 17.635 122.637 17.6354 -38.1412 66.3616 122.637 66.3618 -42.822 GPRESSURE: 673400 11.4953 51.9793 116.235 37.2163 5.54371 3.65967 108.945 63.9027 -2.9819 PRESSAVG: 673400 -7.77058 36.1132 -10.1564 36.1132 -26.9562 14.4421 -10.1564 14.4421 17.0939 GPRESSAVG: 673400 -7.45081 37.6378 -9.95002 35.4709 -27.6856 15.2348 -10.331 15.4234 17.0969 TIMING: 673400 CPU: 2005.72, 0.00303575/step Wall: 2005.72, 0.00303575/step, 3.64847 hours remaining, 207.269531 MB of memory in use. ENERGY: 673400 730.8951 2124.3692 1937.6866 121.4127 -205799.3566 17709.0928 0.0000 0.0000 34171.3073 -149004.5929 298.4265 -183175.9002 -148910.9331 300.6061 -25.7111 4.6857 557076.8711 -5.8777 -6.0132 PRESSURE: 673600 -8.53476 11.1121 -173.296 11.1133 78.6773 88.6714 -173.297 88.672 -157.869 GPRESSURE: 673600 7.18181 -91.4404 -180.493 -27.474 107.59 110.674 -158.174 6.35207 -103.976 PRESSAVG: 673600 -16.1424 -12.2936 -20.09 -12.2936 -0.216877 -28.138 -20.0901 -28.138 -2.64209 GPRESSAVG: 673600 -16.2261 -13.5118 -21.2213 -11.4254 0.696433 -28.4976 -19.8371 -30.3156 -3.70239 TIMING: 673600 CPU: 2006.34, 0.00307104/step Wall: 2006.34, 0.00307104/step, 3.69071 hours remaining, 207.269531 MB of memory in use. ENERGY: 673600 741.4132 2124.1982 1932.8577 121.8090 -206250.9610 17761.7823 0.0000 0.0000 34401.7828 -149167.1177 300.4393 -183568.9005 -149074.1922 299.1829 -29.2423 3.5987 556631.3592 -6.3338 -6.4107 PRESSURE: 673800 68.6474 32.7071 78.2005 32.707 -131.323 82.343 78.2 82.3459 130.118 GPRESSURE: 673800 111.379 11.8243 -31.0917 8.71306 -63.5631 -3.01157 151.99 95.9823 116.154 PRESSAVG: 673800 28.4942 26.1696 5.64501 26.1695 -0.00808879 -27.4735 5.64497 -27.4735 -32.9714 GPRESSAVG: 673800 28.1556 28.1531 6.76363 26.8663 0.488723 -27.3961 6.20166 -24.9515 -32.9493 TIMING: 673800 CPU: 2006.94, 0.00301369/step Wall: 2006.94, 0.00301369/step, 3.62162 hours remaining, 207.269531 MB of memory in use. ENERGY: 673800 718.0156 2119.8513 1942.6901 113.5666 -206154.4942 17800.0054 0.0000 0.0000 34225.9983 -149234.3670 298.9042 -183460.3653 -149137.1730 299.5033 22.4806 54.6568 558950.4494 -1.4951 -1.4350 PRESSURE: 674000 160.089 -1.68065 207.609 -1.67927 -64.3889 -190.861 207.61 -190.863 -147.631 GPRESSURE: 674000 97.868 -40.978 221.197 4.00779 -9.75228 -108.473 172.605 -273.259 -44.9646 PRESSAVG: 674000 2.3236 -51.1137 -1.77734 -51.1137 22.0178 4.80442 -1.77732 4.80444 -2.40147 GPRESSAVG: 674000 1.72423 -52.712 -2.64743 -54.5131 21.1983 4.61063 -1.70894 3.35542 -1.96485 TIMING: 674000 CPU: 2007.55, 0.00304668/step Wall: 2007.55, 0.00304668/step, 3.6611 hours remaining, 207.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 674000 764.7757 2088.6657 1928.2189 112.5959 -206215.1475 17801.9382 0.0000 0.0000 34326.2126 -149192.7405 299.7794 -183518.9531 -149091.2097 299.1675 -17.3103 14.3837 556870.8817 7.3133 6.9859 PRESSURE: 674200 135.112 61.7521 -0.607846 61.7518 -308.595 87.029 -0.607626 87.0302 -98.8124 GPRESSURE: 674200 122.021 100.36 12.2068 71.1619 -193.696 39.6424 -16.2303 65.7978 -91.7922 PRESSAVG: 674200 72.8828 -15.6258 15.4738 -15.6258 -16.0506 -23.6598 15.4738 -23.6599 -18.6994 GPRESSAVG: 674200 72.8695 -16.2035 18.0818 -13.1369 -15.3249 -23.2388 13.1981 -23.9539 -19.5427 TIMING: 674200 CPU: 2008.15, 0.00300646/step Wall: 2008.15, 0.00300646/step, 3.6126 hours remaining, 207.339844 MB of memory in use. ENERGY: 674200 808.2541 2155.6483 1943.4508 104.6337 -206127.9510 17703.3325 0.0000 0.0000 34056.1222 -149356.5093 297.4206 -183412.6315 -149263.6416 299.0420 -90.7653 -54.4892 556688.9345 12.7109 12.6673 PRESSURE: 674400 188.76 -52.7584 163.545 -52.7586 176.662 44.0549 163.545 44.0561 -5.79736 GPRESSURE: 674400 310.024 -67.1482 128.023 -22.7023 171.9 -40.1694 215.629 70.9048 -17.8012 PRESSAVG: 674400 26.6285 11.7914 -10.8996 11.7913 22.4928 30.3204 -10.8996 30.3204 -34.8997 GPRESSAVG: 674400 28.0053 12.6986 -10.2148 10.9029 22.4189 30.1294 -9.60283 30.9146 -35.672 TIMING: 674400 CPU: 2008.75, 0.00300851/step Wall: 2008.75, 0.00300851/step, 3.61489 hours remaining, 207.542969 MB of memory in use. ENERGY: 674400 739.1252 2147.8893 1927.5569 116.4113 -206595.7145 17955.9212 0.0000 0.0000 34159.5518 -149549.2588 298.3239 -183708.8106 -149453.8204 298.5379 119.8751 154.7077 556299.4287 4.7405 4.9174 PRESSURE: 674600 121.2 23.8156 83.5855 23.8147 96.9811 58.8204 83.5846 58.8204 586.19 GPRESSURE: 674600 154.956 -6.61301 160.435 -5.57141 167.137 96.5971 53.0279 54.9757 576.644 PRESSAVG: 674600 6.19725 23.5211 16.9965 23.5212 33.454 46.7289 16.9964 46.729 -33.9863 GPRESSAVG: 674600 4.97199 21.4832 15.9659 25.0181 33.5612 47.0995 15.6335 47.9473 -32.2608 TIMING: 674600 CPU: 2009.35, 0.00298439/step Wall: 2009.35, 0.00298439/step, 3.58575 hours remaining, 207.542969 MB of memory in use. ENERGY: 674600 694.4258 2066.4664 1949.3424 120.5714 -206733.6405 17998.0202 0.0000 0.0000 34303.8473 -149600.9672 299.5840 -183904.8145 -149496.9629 298.9682 268.1240 299.5792 555227.8408 1.8883 2.0908 PRESSURE: 674800 26.149 -127.401 -116.157 -127.401 22.0375 -156.154 -116.158 -156.154 -76.1457 GPRESSURE: 674800 122.878 -186.591 -121.339 -79.6898 16.3036 -96.0328 -105.764 -162.05 -64.2453 PRESSAVG: 674800 8.41242 -28.3193 -41.5215 -28.3192 35.2367 6.39317 -41.5214 6.39315 -34.1514 GPRESSAVG: 674800 9.44733 -27.0745 -39.7511 -27.6839 34.0062 4.45623 -41.1542 4.5647 -33.867 TIMING: 674800 CPU: 2009.95, 0.00299966/step Wall: 2009.95, 0.00299966/step, 3.60393 hours remaining, 207.542969 MB of memory in use. ENERGY: 674800 763.7572 2113.2843 1941.3338 114.7772 -206204.4803 17655.4996 0.0000 0.0000 34090.9889 -149524.8395 297.7251 -183615.8283 -149433.7217 298.5068 -9.3198 24.9789 556298.0336 3.1659 3.1955 PRESSURE: 675000 173.983 -48.2165 -63.1699 -48.2175 144.264 12.9927 -63.1702 12.993 241.8 GPRESSURE: 675000 212.305 14.6448 -75.3572 -56.9695 202.042 -26.2698 -93.9135 96.8021 234.8 PRESSAVG: 675000 42.6591 -15.8359 -3.78978 -15.8359 -37.4401 26.8309 -3.78975 26.831 2.48227 GPRESSAVG: 675000 42.6265 -14.3811 -7.76082 -17.5549 -36.8882 27.2553 -1.79064 29.3288 1.89571 TIMING: 675000 CPU: 2010.55, 0.00297986/step Wall: 2010.55, 0.00297986/step, 3.57997 hours remaining, 207.542969 MB of memory in use. ENERGY: 675000 725.1320 2079.7507 1934.2304 108.1869 -206427.4160 17967.3013 0.0000 0.0000 34036.1656 -149576.6493 297.2463 -183612.8149 -149479.7402 298.3095 186.6822 216.3823 556139.3157 2.5671 2.5447 PRESSURE: 675200 -273.409 185.579 -108.018 185.579 266.997 22.5978 -108.02 22.5972 -207.976 GPRESSURE: 675200 -213.85 149.061 -174.4 190.334 224.356 -6.47485 -93.2181 26.1686 -137.995 PRESSAVG: 675200 -10.4881 23.5384 -46.4724 23.5383 99.5115 23.1858 -46.4724 23.1859 -59.1377 GPRESSAVG: 675200 -9.40365 22.9612 -45.1273 23.6495 99.0006 22.2585 -46.5748 21.0378 -59.2633 TIMING: 675200 CPU: 2011.14, 0.0029694/step Wall: 2011.14, 0.0029694/step, 3.56724 hours remaining, 207.542969 MB of memory in use. ENERGY: 675200 767.8138 2041.1139 1944.1885 117.3191 -206358.5717 17943.3305 0.0000 0.0000 33971.8919 -149572.9139 296.6850 -183544.8058 -149485.3787 298.0865 -71.4625 -42.4964 557084.0261 9.9619 10.1112 PRESSURE: 675400 -222.981 -114.753 -161.401 -114.754 -192.019 72.4756 -161.401 72.4754 -79.4033 GPRESSURE: 675400 -209.147 -54.9346 -56.3535 -56.9988 -213.993 43.6669 -197.771 166.644 13.5894 PRESSAVG: 675400 -38.5031 11.0682 -46.6074 11.0681 6.88733 11.733 -46.6075 11.7332 20.3283 GPRESSAVG: 675400 -38.9456 10.0386 -44.8529 9.66732 7.57988 11.8643 -47.4717 14.9757 19.8556 TIMING: 675400 CPU: 2011.74, 0.00297774/step Wall: 2011.74, 0.00297774/step, 3.57709 hours remaining, 207.542969 MB of memory in use. ENERGY: 675400 762.1360 2103.5748 1944.4398 106.2566 -206390.5469 17724.0058 0.0000 0.0000 34320.4983 -149429.6358 299.7294 -183750.1340 -149332.4846 299.1198 -164.8013 -136.5168 556738.1189 -3.7625 -3.8367 PRESSURE: 675600 19.2741 -25.1292 -53.301 -25.1279 -57.0906 95.4242 -53.3011 95.4223 104.293 GPRESSURE: 675600 89.6871 -103.493 -49.0642 39.8713 -42.8853 96.0056 4.71346 85.5175 124.866 PRESSAVG: 675600 58.1467 50.4074 8.66474 50.4074 -38.6409 3.55284 8.6648 3.55284 18.0383 GPRESSAVG: 675600 56.7771 49.9455 7.53203 51.5787 -37.7194 3.23448 9.9399 0.488049 18.0484 TIMING: 675600 CPU: 2012.33, 0.00297177/step Wall: 2012.33, 0.00297177/step, 3.56976 hours remaining, 207.542969 MB of memory in use. ENERGY: 675600 772.4540 2079.8098 1936.9841 112.9686 -206472.5325 18098.0991 0.0000 0.0000 33913.8141 -149558.4027 296.1778 -183472.2168 -149465.1541 298.6037 22.1589 57.2227 557515.0975 12.5147 12.3687 PRESSURE: 675800 48.0546 57.1876 36.2192 57.1877 136.451 -83.5269 36.2204 -83.5287 185.488 GPRESSURE: 675800 103.446 63.7592 38.8907 33.1024 174.431 -171.347 40.561 -71.3896 199.707 PRESSAVG: 675800 38.2917 -10.0952 -49.013 -10.0952 -61.3874 38.3853 -49.0128 38.3853 9.83677 GPRESSAVG: 675800 37.6082 -9.46697 -48.5696 -10.9752 -62.849 41.0408 -50.2501 37.0586 11.6683 TIMING: 675800 CPU: 2012.93, 0.00298995/step Wall: 2012.93, 0.00298996/step, 3.59143 hours remaining, 207.542969 MB of memory in use. ENERGY: 675800 759.4932 2122.1158 1933.8909 101.5844 -206696.4885 18120.7269 0.0000 0.0000 34268.2091 -149390.4682 299.2728 -183658.6773 -149298.9506 298.5680 123.3313 159.1951 556745.5937 -4.4196 -4.5242 PRESSURE: 676000 17.7826 -63.1005 -176.033 -63.1003 -403.633 36.5528 -176.034 36.5522 -230.928 GPRESSURE: 676000 51.2781 -65.1622 -144.595 -97.8782 -323.318 86.365 -137.624 113.722 -240.51 PRESSAVG: 676000 -22.6471 37.8403 -13.2517 37.8404 25.1271 30.3262 -13.2517 30.3262 30.3002 GPRESSAVG: 676000 -22.6758 37.8293 -11.4001 38.3517 25.7785 29.2532 -13.6561 32.5725 29.6355 TIMING: 676000 CPU: 2013.52, 0.00295424/step Wall: 2013.52, 0.00295424/step, 3.54837 hours remaining, 207.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 676000 779.4462 2082.8933 1954.4086 122.0096 -206307.0824 17673.5429 0.0000 0.0000 34281.1801 -149413.6018 299.3861 -183694.7819 -149312.3426 299.0725 -205.5930 -170.8497 557996.2020 10.9267 10.9128 PRESSURE: 676200 -549.707 -166.593 -86.639 -166.593 162.37 23.6711 -86.6395 23.6722 -9.36794 GPRESSURE: 676200 -508.82 -87.5155 -48.8045 -108.438 171.706 81.6507 -46.9159 67.6293 36.3903 PRESSAVG: 676200 14.1691 -40.8094 3.96621 -40.8094 9.89757 17.9038 3.96627 17.9039 39.5606 GPRESSAVG: 676200 14.9699 -39.5486 0.830664 -41.2979 9.03823 17.5499 6.03885 16.8193 39.7542 TIMING: 676200 CPU: 2014.12, 0.00298431/step Wall: 2014.12, 0.00298431/step, 3.58433 hours remaining, 207.542969 MB of memory in use. ENERGY: 676200 737.8449 2087.1710 1949.5180 107.2918 -205915.0462 17539.7705 0.0000 0.0000 34135.0550 -149358.3948 298.1099 -183493.4498 -149260.3275 299.1949 -132.2349 -100.2415 557686.9067 21.2091 21.2541 LDB: ============= START OF LOAD BALANCING ============== 2017.66 LDB: ============== END OF LOAD BALANCING =============== 2017.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2017.66 LDB: ============= START OF LOAD BALANCING ============== 2017.96 LDB: Largest compute 4796 load 0.028973 is 24.5% of average load 0.118065 LDB: Average compute 0.001732 is 1.5% of average load 0.118065 LDB: TIME 2017.96 LOAD: AVG 0.118065 MAX 0.208632 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.762 MB LDB: TIME 2017.96 LOAD: AVG 0.118065 MAX 0.208632 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.762 MB LDB: TIME 2017.96 LOAD: AVG 0.118065 MAX 0.208632 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2017.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2017.97 PRESSURE: 676400 139.949 -40.0413 28.028 -40.0408 -220.309 -82.2032 28.0264 -82.2024 -33.4675 GPRESSURE: 676400 188.724 -183.141 103.954 62.03 -185.099 -102.926 58.5751 -80.7446 -21.5949 PRESSAVG: 676400 -7.48644 -45.7341 -34.9575 -45.734 -8.88002 4.36183 -34.9576 4.36176 36.0405 GPRESSAVG: 676400 -8.16124 -47.2854 -34.0948 -45.4978 -7.35124 4.6804 -36.2144 4.72766 35.4528 TIMING: 676400 CPU: 2014.72, 0.00301084/step Wall: 2014.72, 0.00301084/step, 3.61602 hours remaining, 208.492188 MB of memory in use. ENERGY: 676400 788.9387 2052.3806 1924.0385 110.7849 -206472.1944 17853.4776 0.0000 0.0000 34265.0931 -149477.4810 299.2456 -183742.5741 -149370.9466 298.9976 -37.9424 -5.9901 557123.2585 6.5580 6.6468 PRESSURE: 676600 -211.727 41.9149 -66.5376 41.9151 -275.667 214.216 -66.5373 214.216 -145.922 GPRESSURE: 676600 -138.891 -10.5799 -67.5377 25.8971 -240.568 347.915 -104.7 167.177 -144.445 PRESSAVG: 676600 15.0365 43.5793 -27.4599 43.5794 11.1215 38.7294 -27.4599 38.7294 2.3523 GPRESSAVG: 676600 15.408 44.1806 -25.6612 44.0764 9.77533 39.0818 -28.2682 38.9549 3.39017 TIMING: 676600 CPU: 2015.32, 0.0030003/step Wall: 2015.32, 0.0030003/step, 3.60319 hours remaining, 208.492188 MB of memory in use. ENERGY: 676600 740.9586 2075.0072 1924.4579 117.8204 -206283.5066 17755.2510 0.0000 0.0000 34141.1222 -149528.8892 298.1629 -183670.0113 -149427.5500 298.8813 -211.1052 -174.6346 558873.1576 9.5035 9.5245 PRESSURE: 676800 -28.483 111.469 34.2921 111.469 44.9623 -80.9062 34.2926 -80.9058 -169.208 GPRESSURE: 676800 -47.7776 77.868 -34.5644 156.366 137.22 -39.6393 98.3144 -101.491 -146.099 PRESSAVG: 676800 16.9424 40.868 -40.0969 40.8679 -22.4012 10.7374 -40.0969 10.7374 35.4276 GPRESSAVG: 676800 17.7271 39.3429 -41.6815 39.7598 -21.6941 11.3232 -39.6671 10.4708 34.4928 TIMING: 676800 CPU: 2015.92, 0.00301528/step Wall: 2015.92, 0.00301528/step, 3.62101 hours remaining, 208.492188 MB of memory in use. ENERGY: 676800 746.6481 2077.0552 1926.9663 104.5574 -206345.3524 17875.5723 0.0000 0.0000 34053.4417 -149561.1114 297.3972 -183614.5532 -149472.6995 298.4599 -50.9097 -18.8854 557660.5769 9.9896 10.1753 PRESSURE: 677000 -140.277 30.0011 -80.3282 30.0024 -235.556 12.3362 -80.3278 12.3372 -151.274 GPRESSURE: 677000 -108.876 -3.79003 -96.9966 16.424 -207.794 29.6563 11.7459 20.6445 -112.076 PRESSAVG: 677000 5.43574 27.5253 -51.9852 27.5253 -4.90054 19.0099 -51.9852 19.0098 12.0283 GPRESSAVG: 677000 5.11969 28.703 -50.7801 29.0675 -4.67625 17.1722 -52.4923 20.6744 12.2781 TIMING: 677000 CPU: 2016.52, 0.00301225/step Wall: 2016.52, 0.00301225/step, 3.61721 hours remaining, 208.492188 MB of memory in use. ENERGY: 677000 780.2182 2112.7665 1958.9600 107.7375 -206330.2854 17718.0555 0.0000 0.0000 34111.2882 -149541.2596 297.9024 -183652.5478 -149446.3575 298.4862 -175.7021 -142.9150 557791.2100 4.1878 4.2405 PRESSURE: 677200 308.057 42.1394 55.577 42.1384 184.887 -97.4431 55.5765 -97.4411 -6.6657 GPRESSURE: 677200 289.497 -29.808 123.378 35.0757 262.528 -58.798 20.8565 -146.636 24.3258 PRESSAVG: 677200 36.7726 8.18805 39.5194 8.18809 -30.3263 -0.696098 39.5194 -0.695967 3.20089 GPRESSAVG: 677200 37.5073 9.57109 38.6407 4.80611 -31.9004 0.972461 37.659 -2.73815 3.82752 TIMING: 677200 CPU: 2017.12, 0.00298351/step Wall: 2017.12, 0.00298351/step, 3.58253 hours remaining, 208.492188 MB of memory in use. ENERGY: 677200 754.5120 2059.0700 1947.0485 105.9056 -206482.5177 18053.3398 0.0000 0.0000 34173.9341 -149388.7077 298.4495 -183562.6419 -149290.6702 298.7541 162.0930 192.1168 555953.8774 3.2157 3.1448 PRESSURE: 677400 -193.764 -119.989 -55.4305 -119.99 -204.754 115.264 -55.4293 115.264 -98.5768 GPRESSURE: 677400 -136.69 -50.6219 13.6954 -43.9618 -191.273 127.881 -84.3601 119.937 -60.0629 PRESSAVG: 677400 -16.1546 14.5815 75.9476 14.5816 49.2229 -57.6145 75.9476 -57.6145 -30.6879 GPRESSAVG: 677400 -17.151 15.1831 77.0784 15.7418 50.3764 -58.8551 76.9865 -56.5823 -30.9874 TIMING: 677400 CPU: 2017.72, 0.00298924/step Wall: 2017.72, 0.00298924/step, 3.58924 hours remaining, 208.492188 MB of memory in use. ENERGY: 677400 747.0002 2141.4931 1918.9922 108.2301 -206209.8012 17684.1830 0.0000 0.0000 34236.4602 -149373.4424 298.9955 -183609.9026 -149286.0496 298.2269 -165.6983 -129.3421 558250.4129 0.7935 0.7460 PRESSURE: 677600 110.65 -7.91956 118.515 -7.91881 -8.53619 50.4745 118.516 50.4748 125.371 GPRESSURE: 677600 166.417 37.2517 62.6333 -83.2045 30.8513 182.275 180.611 -49.2703 126.326 PRESSAVG: 677600 2.86243 -29.3489 0.537752 -29.3488 52.7618 -5.58782 0.537773 -5.58776 0.16164 GPRESSAVG: 677600 3.48364 -31.1804 -1.01224 -28.2979 51.7868 -5.96388 2.36407 -7.11689 0.766807 TIMING: 677600 CPU: 2018.32, 0.00298743/step Wall: 2018.32, 0.00298743/step, 3.5869 hours remaining, 208.492188 MB of memory in use. ENERGY: 677600 741.7079 2142.9813 1923.0243 127.4606 -206340.7581 17882.3387 0.0000 0.0000 34274.7577 -149248.4877 299.3300 -183523.2455 -149156.5347 298.8872 75.8282 107.8648 556682.0474 18.5953 18.6791 PRESSURE: 677800 -66.8086 185.629 -38.0753 185.629 -18.6723 -99.0187 -38.0756 -99.0202 214.619 GPRESSURE: 677800 -5.42196 122.228 129.641 179.184 -1.21649 -61.83 -50.0895 -72.7388 232.875 PRESSAVG: 677800 8.34415 67.8148 23.4809 67.8148 15.0553 11.4452 23.4808 11.4452 2.1553 GPRESSAVG: 677800 8.83835 68.157 25.7457 69.4817 15.3693 12.3347 22.6439 12.937 0.828764 TIMING: 677800 CPU: 2018.91, 0.00298816/step Wall: 2018.91, 0.00298816/step, 3.58762 hours remaining, 208.492188 MB of memory in use. ENERGY: 677800 737.9311 2135.9273 1911.8686 118.4774 -205947.6267 17827.3994 0.0000 0.0000 33962.1262 -149253.8967 296.5997 -183216.0229 -149160.7545 299.0824 43.0461 75.4123 557308.5805 8.5182 8.3455 PRESSURE: 678000 -156.907 83.9923 98.4031 83.9925 116.052 12.9289 98.4038 12.9277 258.745 GPRESSURE: 678000 -161.702 86.5261 76.7086 63.5019 157.821 90.4088 17.5358 48.6321 318.288 PRESSAVG: 678000 -17.2152 61.6093 -15.7449 61.6094 -48.105 -4.94501 -15.7449 -4.94515 77.8625 GPRESSAVG: 678000 -19.3719 60.6117 -16.005 59.5959 -47.2166 -5.40925 -18.0252 -6.20526 78.868 TIMING: 678000 CPU: 2019.51, 0.00298656/step Wall: 2019.51, 0.00298656/step, 3.58553 hours remaining, 208.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 678000 725.0971 2150.8336 1908.2461 113.6440 -206122.8381 17848.9417 0.0000 0.0000 34279.7361 -149096.3395 299.3735 -183376.0757 -148996.9662 298.5276 72.6299 104.8021 558271.4658 4.1807 4.0932 PRESSURE: 678200 -79.5903 -92.5809 33.5674 -92.5812 -195.724 -27.7451 33.5687 -27.7455 185.909 GPRESSURE: 678200 -49.1163 -51.4667 46.5196 -61.8884 -121.319 -49.3738 27.3261 18.6798 183.189 PRESSAVG: 678200 -36.7401 -45.3892 -9.20634 -45.3893 17.2045 12.239 -9.20633 12.2389 43.3543 GPRESSAVG: 678200 -34.9421 -45.2857 -11.5468 -43.9909 17.2516 12.5993 -5.98779 12.7103 41.367 TIMING: 678200 CPU: 2020.11, 0.00297822/step Wall: 2020.11, 0.00297822/step, 3.57535 hours remaining, 208.492188 MB of memory in use. ENERGY: 678200 794.1142 2101.5672 1922.8722 121.9963 -205864.7029 17703.5123 0.0000 0.0000 34109.3639 -149111.2766 297.8856 -183220.6406 -149022.0768 299.2015 -29.8019 4.2512 557209.3419 7.9396 7.8921 PRESSURE: 678400 -342.619 -102.581 16.308 -102.581 58.0328 -19.4546 16.3075 -19.4535 -298.744 GPRESSURE: 678400 -265.263 -130.564 -15.7232 -67.0374 53.9059 15.6365 75.948 -106.529 -273.803 PRESSAVG: 678400 -41.4546 -6.59716 34.0668 -6.59719 47.4849 24.4524 34.0668 24.4523 -33.3396 GPRESSAVG: 678400 -42.1028 -4.58037 35.5578 -9.06011 46.9254 22.461 31.8576 25.9529 -31.985 TIMING: 678400 CPU: 2020.7, 0.00297657/step Wall: 2020.7, 0.00297657/step, 3.5732 hours remaining, 208.492188 MB of memory in use. ENERGY: 678400 762.9979 2091.1920 1926.7703 104.9169 -205912.6509 17610.3772 0.0000 0.0000 34253.9543 -149162.4423 299.1483 -183416.3966 -149062.9310 299.5381 -194.4432 -161.7203 556501.0650 -9.1031 -9.0542 PRESSURE: 678600 58.0087 35.952 -7.0391 35.9523 -53.4102 46.8329 -7.03876 46.8337 28.9936 GPRESSURE: 678600 103.365 -8.1741 38.9877 106.075 11.2269 64.5723 -1.64387 87.9097 4.03311 PRESSAVG: 678600 -25.8598 27.9353 54.5996 27.9352 -9.92718 54.7716 54.5997 54.7716 29.884 GPRESSAVG: 678600 -25.2583 26.6785 53.9141 28.1445 -9.49707 56.5196 54.9247 53.7269 29.0175 TIMING: 678600 CPU: 2021.3, 0.00300145/step Wall: 2021.3, 0.00300145/step, 3.6029 hours remaining, 208.492188 MB of memory in use. ENERGY: 678600 767.8666 2129.6342 1903.4673 109.8506 -206122.6341 17797.5692 0.0000 0.0000 34226.4885 -149187.7575 298.9084 -183414.2461 -149094.4842 299.6253 11.1974 39.5416 557155.6597 -1.9677 -1.9126 PRESSURE: 678800 212.23 60.8947 243.145 60.8956 211.029 -2.17413 243.145 -2.17506 136.107 GPRESSURE: 678800 207.103 15.0415 164.105 73.4662 226.232 -36.902 260.2 2.44718 228.598 PRESSAVG: 678800 32.531 -22.9459 36.8634 -22.9459 -41.6803 -15.2447 36.8634 -15.2447 36.995 GPRESSAVG: 678800 30.2907 -22.3844 37.711 -21.1954 -40.9577 -15.7116 37.1366 -16.3586 38.5404 TIMING: 678800 CPU: 2021.9, 0.00299194/step Wall: 2021.9, 0.00299194/step, 3.59133 hours remaining, 208.492188 MB of memory in use. ENERGY: 678800 787.6228 2118.5302 1922.7073 99.1908 -206726.0140 18189.9965 0.0000 0.0000 34309.0684 -149298.8981 299.6296 -183607.9665 -149204.1532 299.0969 186.4552 220.6446 555886.4257 9.2819 9.2912 PRESSURE: 679000 -173.835 -37.3377 -101.096 -37.3375 114.829 -170.629 -101.096 -170.629 -281.491 GPRESSURE: 679000 -136.676 -3.16863 -15.3123 -43.4266 142.802 -201.93 -77.4052 -155.561 -252.846 PRESSAVG: 679000 30.2469 0.593653 3.23241 0.593612 12.4712 -1.28784 3.23243 -1.28786 -39.0779 GPRESSAVG: 679000 30.9791 0.786889 1.31272 -0.84985 11.842 -2.0135 5.46827 -0.855739 -39.5713 TIMING: 679000 CPU: 2022.5, 0.00298714/step Wall: 2022.5, 0.00298714/step, 3.5854 hours remaining, 208.492188 MB of memory in use. ENERGY: 679000 729.2395 2096.8663 1928.4993 112.5234 -206033.8704 17511.4843 0.0000 0.0000 34306.2370 -149349.0205 299.6049 -183655.2576 -149247.8736 299.9347 -113.4988 -82.2399 557071.0966 1.2134 1.0832 PRESSURE: 679200 101.319 -14.5683 -148.449 -14.5673 -255.637 144.412 -148.447 144.413 68.4728 GPRESSURE: 679200 106.94 -33.8222 -164.062 -12.0381 -193.411 212.614 -111.683 123 99.8524 PRESSAVG: 679200 -42.7954 -42.8583 -11.4016 -42.8583 32.4492 67.9014 -11.4016 67.9012 -41.7397 GPRESSAVG: 679200 -42.8124 -43.9412 -11.0871 -42.3649 33.6568 68.6737 -12.9826 66.9478 -42.445 TIMING: 679200 CPU: 2023.09, 0.00298489/step Wall: 2023.09, 0.00298489/step, 3.58253 hours remaining, 208.492188 MB of memory in use. ENERGY: 679200 775.3039 2093.0232 1921.0277 124.0810 -206496.6037 17813.0030 0.0000 0.0000 34349.7658 -149420.3990 299.9850 -183770.1648 -149324.6103 299.0643 -28.6151 4.4603 556070.7791 -17.3620 -17.2002 PRESSURE: 679400 251.095 -16.6997 146.622 -16.701 -85.9213 -9.19315 146.622 -9.19508 68.7852 GPRESSURE: 679400 262.3 -7.89879 87.8102 26.7028 -47.8512 -29.037 127.264 -1.82249 123.803 PRESSAVG: 679400 -5.15481 26.5147 10.8135 26.5147 17.781 34.7022 10.8135 34.7022 6.38221 GPRESSAVG: 679400 -4.64277 27.1554 12.2285 28.9787 17.6481 34.2607 12.7927 36.8389 6.20825 TIMING: 679400 CPU: 2023.69, 0.00298827/step Wall: 2023.69, 0.00298827/step, 3.58642 hours remaining, 208.492188 MB of memory in use. ENERGY: 679400 757.0101 2099.9744 1913.2313 115.1122 -206618.4592 18003.6310 0.0000 0.0000 34261.3895 -149468.1108 299.2132 -183729.5003 -149372.2378 299.1384 77.9863 112.7506 556249.7484 6.3361 6.4045 PRESSURE: 679600 67.7296 69.5016 52.2476 69.5008 341.072 -65.7896 52.2471 -65.7905 -27.65 GPRESSURE: 679600 68.8283 80.3699 89.9202 80.6381 400.522 -141.279 33.6545 -19.6846 12.273 PRESSAVG: 679600 -64.3437 37.161 -18.7838 37.1609 -12.4274 -42.266 -18.7838 -42.2661 16.9614 GPRESSAVG: 679600 -64.8441 36.9587 -19.193 35.1881 -12.2833 -41.6843 -21.0069 -43.1639 17.1922 TIMING: 679600 CPU: 2024.29, 0.00297014/step Wall: 2024.29, 0.00297014/step, 3.5645 hours remaining, 208.492188 MB of memory in use. ENERGY: 679600 750.0404 2146.6031 1958.9765 119.1584 -206660.8268 18158.5691 0.0000 0.0000 34145.3825 -149382.0968 298.2001 -183527.4793 -149281.6527 299.1813 127.0506 160.5411 557055.8096 -19.9366 -19.9784 PRESSURE: 679800 -204.165 2.93498 -89.8075 2.9339 -113.297 -89.671 -89.807 -89.6725 22.1425 GPRESSURE: 679800 -112.962 -46 -99.563 9.22781 -77.1529 -119.2 -4.11938 -71.9617 -7.28822 PRESSAVG: 679800 59.8238 49.1449 -73.9992 49.1448 -35.6055 -4.5685 -73.9991 -4.5684 7.07075 GPRESSAVG: 679800 61.9266 49.3466 -76.346 48.9688 -36.9429 -5.11626 -69.7693 -6.01085 6.17644 TIMING: 679800 CPU: 2024.89, 0.00299568/step Wall: 2024.89, 0.00299568/step, 3.59498 hours remaining, 208.492188 MB of memory in use. ENERGY: 679800 769.6151 2172.8172 1948.1019 116.8912 -206262.0952 17775.1732 0.0000 0.0000 34121.6796 -149357.8169 297.9931 -183479.4965 -149260.9596 299.1878 -98.4400 -65.8011 557618.7929 10.4297 10.3867 PRESSURE: 680000 -102.233 95.1168 -33.2699 95.116 -158.094 36.8626 -33.2702 36.863 84.9982 GPRESSURE: 680000 -55.4218 -21.5228 17.8491 140.555 -127.162 -44.9565 -63.0667 97.0372 101.338 PRESSAVG: 680000 -36.515 -24.6063 -15.1521 -24.6063 50.1586 1.46469 -15.1521 1.46478 29.2217 GPRESSAVG: 680000 -38.5627 -24.0928 -13.9781 -24.092 50.8086 2.17637 -17.633 2.23022 30.0173 TIMING: 680000 CPU: 2025.49, 0.00300978/step Wall: 2025.49, 0.00300978/step, 3.61173 hours remaining, 208.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 680000 701.6051 2121.6359 1919.9464 116.9038 -206281.7822 17687.0022 0.0000 0.0000 34251.5429 -149483.1458 299.1272 -183734.6887 -149382.9454 298.6856 -58.4432 -27.0820 558813.5092 14.2884 14.0877 PRESSURE: 680200 -60.681 -30.8025 -12.2982 -30.8024 93.1961 -9.25108 -12.298 -9.25289 -114.132 GPRESSURE: 680200 3.17285 -48.7808 -54.9161 -55.3441 45.9559 -82.095 -32.2361 29.1554 -47.5771 PRESSAVG: 680200 18.4154 -26.4832 -10.4625 -26.4832 29.8879 -17.7566 -10.4626 -17.7565 -80.8416 GPRESSAVG: 680200 18.1406 -26.8385 -8.87115 -26.352 28.3478 -16.746 -13.104 -19.7795 -79.0187 TIMING: 680200 CPU: 2026.09, 0.00302922/step Wall: 2026.09, 0.00302922/step, 3.6349 hours remaining, 208.492188 MB of memory in use. ENERGY: 680200 728.8975 2103.7770 1933.5009 108.0037 -206424.3790 17749.5157 0.0000 0.0000 34236.2621 -149564.4221 298.9938 -183800.6841 -149462.6621 298.9738 -27.2057 0.5172 557207.1792 -10.8461 -10.8434 LDB: ============= START OF LOAD BALANCING ============== 2029.64 LDB: ============== END OF LOAD BALANCING =============== 2029.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2029.64 LDB: ============= START OF LOAD BALANCING ============== 2029.95 LDB: Largest compute 4796 load 0.027130 is 23.0% of average load 0.118159 LDB: Average compute 0.001735 is 1.5% of average load 0.118159 LDB: TIME 2029.95 LOAD: AVG 0.118159 MAX 0.208606 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.75 MB LDB: TIME 2029.95 LOAD: AVG 0.118159 MAX 0.208606 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.824 MB LDB: TIME 2029.95 LOAD: AVG 0.118159 MAX 0.208606 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.824 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2029.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2029.95 PRESSURE: 680400 -232.662 240.124 -14.7959 240.124 -156.979 -60.9429 -14.7967 -60.942 -111.234 GPRESSURE: 680400 -170.826 172.545 -39.4829 216.764 -129.663 -118.41 -23.0366 57.5077 -127.07 PRESSAVG: 680400 -5.39488 -16.2215 -37.4506 -16.2215 17.2451 6.43642 -37.4507 6.43631 -55.0479 GPRESSAVG: 680400 -4.74931 -16.2263 -39.5311 -16.1632 18.096 4.89532 -34.172 7.69719 -56.3957 TIMING: 680400 CPU: 2026.7, 0.00305565/step Wall: 2026.7, 0.00305565/step, 3.66644 hours remaining, 207.011719 MB of memory in use. ENERGY: 680400 759.7702 2092.3485 1939.8730 111.2809 -206348.8787 17712.5351 0.0000 0.0000 34123.6068 -149609.4642 298.0099 -183733.0710 -149512.8497 297.9101 -166.9583 -142.5197 556563.0507 -14.3992 -14.3497 PRESSURE: 680600 120.952 -48.3518 -73.4433 -48.3524 210.882 39.0853 -73.4424 39.0851 93.5744 GPRESSURE: 680600 101.731 19.0496 -76.4235 35.737 293.695 62.5014 -64.7881 43.5717 129.662 PRESSAVG: 680600 -4.29068 -23.1539 12.2465 -23.1539 95.4358 -19.4915 12.2464 -19.4913 -58.5474 GPRESSAVG: 680600 -5.29631 -23.1098 11.7188 -21.4026 95.8266 -18.0761 10.7795 -18.663 -57.2761 TIMING: 680600 CPU: 2027.3, 0.00298722/step Wall: 2027.3, 0.00298722/step, 3.58417 hours remaining, 207.011719 MB of memory in use. ENERGY: 680600 731.2374 2108.1944 1934.6211 114.5738 -207153.2834 18187.3851 0.0000 0.0000 34395.6421 -149681.6294 300.3857 -184077.2715 -149580.7814 298.2579 141.8027 175.0293 554924.9306 10.8659 11.0847 PRESSURE: 680800 49.4772 -119.207 -44.5894 -119.208 -10.6508 40.8373 -44.5877 40.8371 147.763 GPRESSURE: 680800 79.2567 -76.2556 24.8422 -120.627 41.9161 -45.0139 -39.8482 -8.85786 170.945 PRESSAVG: 680800 -89.7334 -33.8947 23.227 -33.8948 -0.844169 7.30653 23.227 7.30654 71.5565 GPRESSAVG: 680800 -89.3283 -33.3379 25.8715 -36.4888 -1.18622 6.32672 23.0239 6.06453 71.5758 TIMING: 680800 CPU: 2027.9, 0.00297982/step Wall: 2027.9, 0.00297983/step, 3.57513 hours remaining, 207.011719 MB of memory in use. ENERGY: 680800 772.3442 2126.3165 1940.2833 116.8665 -206699.1278 18015.4724 0.0000 0.0000 34171.6152 -149556.2297 298.4292 -183727.8449 -149462.8950 298.5562 62.1964 97.3725 556145.2967 -6.3403 -6.3129 PRESSURE: 681000 93.5234 -111.271 0.620981 -111.271 -21.2569 -76.5053 0.62104 -76.5054 23.9536 GPRESSURE: 681000 76.4621 -79.8282 -11.0498 -114.391 30.4098 -72.565 6.82812 -119.472 82.7971 PRESSAVG: 681000 -52.2804 -67.1268 39.6992 -67.1268 16.2922 -19.7549 39.6992 -19.7547 34.5935 GPRESSAVG: 681000 -52.4903 -68.9935 37.3141 -65.3139 16.6618 -19.0686 39.8074 -20.4385 35.1568 TIMING: 681000 CPU: 2028.5, 0.00299334/step Wall: 2028.5, 0.00299333/step, 3.59117 hours remaining, 207.011719 MB of memory in use. ENERGY: 681000 733.9458 2102.9613 1916.9471 121.9354 -206524.9202 17964.6233 0.0000 0.0000 34294.9661 -149389.5412 299.5065 -183684.5073 -149288.8433 298.5765 32.0734 63.2230 557196.8555 -0.4649 -0.2239 PRESSURE: 681200 27.9281 30.9293 -8.20342 30.928 215.506 -132.749 -8.20361 -132.75 -84.1532 GPRESSURE: 681200 54.1335 -24.7483 -0.719198 54.9373 218.515 -196.128 -47.9048 -39.8129 -17.5625 PRESSAVG: 681200 -32.5708 -30.0021 16.6466 -30.0021 20.2437 -45.5468 16.6467 -45.5467 70.9934 GPRESSAVG: 681200 -31.9892 -28.2958 15.8307 -31.3811 20.1473 -45.2702 16.6663 -44.3466 70.1266 TIMING: 681200 CPU: 2029.09, 0.0029788/step Wall: 2029.09, 0.0029788/step, 3.57357 hours remaining, 207.011719 MB of memory in use. ENERGY: 681200 754.5636 2165.2801 1917.2218 112.4566 -206428.6044 17748.3553 0.0000 0.0000 34516.3252 -149214.4018 301.4397 -183730.7270 -149119.4331 299.8924 53.0937 85.0285 555622.5310 19.5554 19.4282 PRESSURE: 681400 31.0089 -32.0545 35.7239 -32.054 277.241 53.1375 35.7243 53.1389 -286.995 GPRESSURE: 681400 79.0113 -59.8854 49.1793 -38.1176 252.055 2.80915 19.4492 36.4539 -219.038 PRESSAVG: 681400 -18.4889 -23.5832 -61.6746 -23.5833 -19.4981 -13.7471 -61.6746 -13.747 -10.9053 GPRESSAVG: 681400 -18.0604 -22.6562 -59.1084 -22.6712 -19.5965 -15.3707 -62.2013 -14.0688 -11.8148 TIMING: 681400 CPU: 2029.69, 0.00298044/step Wall: 2029.69, 0.00298044/step, 3.57536 hours remaining, 207.011719 MB of memory in use. ENERGY: 681400 702.4493 2138.1717 1927.6961 120.8599 -205959.5831 17605.0092 0.0000 0.0000 34144.9782 -149320.4186 298.1966 -183465.3968 -149220.4082 300.0044 7.0852 37.3427 555815.9270 -16.2975 -16.4905 PRESSURE: 681600 118.76 -145.109 -64.3322 -145.11 38.4984 137.88 -64.332 137.881 -125.83 GPRESSURE: 681600 147.352 -223.967 -37.1994 -68.4865 23.8669 130.452 -53.7285 72.5762 -46.2651 PRESSAVG: 681600 -41.5551 2.80986 -35.5015 2.80984 35.2204 26.6713 -35.5015 26.6712 -4.81245 GPRESSAVG: 681600 -42.3894 2.9992 -37.4807 -0.0946726 34.3523 27.8287 -35.0634 26.1039 -3.02352 TIMING: 681600 CPU: 2030.28, 0.00296017/step Wall: 2030.28, 0.00296017/step, 3.55089 hours remaining, 207.011719 MB of memory in use. ENERGY: 681600 756.0250 2096.7049 1934.3674 126.1348 -205911.0528 17679.8651 0.0000 0.0000 34075.4014 -149242.5542 297.5890 -183317.9556 -149148.9911 299.1856 10.4764 41.6513 555696.5264 -3.7157 -3.6869 PRESSURE: 681800 -96.1248 30.3073 -93.7792 30.3076 55.4317 -115.918 -93.7783 -115.919 98.5746 GPRESSURE: 681800 -45.9067 94.7407 -106.21 -2.63516 94.3968 -110.571 -56.2069 -74.9699 105.018 PRESSAVG: 681800 -30.9044 -30.4045 -31.0192 -30.4045 58.0237 15.0392 -31.0193 15.0391 2.64325 GPRESSAVG: 681800 -30.0929 -29.595 -31.0464 -31.3072 57.9226 13.936 -29.9786 16.2749 1.45135 TIMING: 681800 CPU: 2030.88, 0.00298282/step Wall: 2030.88, 0.00298282/step, 3.57789 hours remaining, 207.011719 MB of memory in use. ENERGY: 681800 759.5646 2105.8051 1921.4277 117.1275 -206168.7554 17884.1308 0.0000 0.0000 34252.3337 -149128.3659 299.1341 -183380.6997 -149028.1089 299.8592 19.2939 51.1694 557157.9878 9.9209 9.7603 PRESSURE: 682000 87.5665 -224.421 -145.172 -224.421 320 139.988 -145.173 139.988 -91.0361 GPRESSURE: 682000 166.302 -244.292 -101.37 -217.733 315.159 95.5829 -170.165 96.2456 -57.4423 PRESSAVG: 682000 -38.2258 0.220925 -20.9485 0.22092 48.2311 -21.4484 -20.9484 -21.4484 6.27827 GPRESSAVG: 682000 -38.7579 -1.59866 -19.4517 1.02663 48.0808 -20.288 -21.6572 -22.1445 6.82134 TIMING: 682000 CPU: 2031.48, 0.00300317/step Wall: 2031.48, 0.00300317/step, 3.60213 hours remaining, 207.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 682000 758.7939 2147.1744 1917.8232 109.0241 -206782.4613 18143.0137 0.0000 0.0000 34329.6243 -149377.0077 299.8091 -183706.6320 -149284.6674 299.5158 105.5101 141.3396 555993.2263 5.4279 5.3814 PRESSURE: 682200 -11.9255 -43.9833 -27.168 -43.9836 210.644 -18.2819 -27.1677 -18.2803 -92.9899 GPRESSURE: 682200 46.0774 -87.0645 3.89043 25.3716 234.367 49.7065 -32.7323 -52.4919 -65.5655 PRESSAVG: 682200 40.8361 -75.0315 28.4168 -75.0314 33.011 9.58496 28.4168 9.58503 -71.5982 GPRESSAVG: 682200 41.2855 -76.1977 25.9687 -73.8723 32.775 8.47165 29.8551 9.59608 -71.9244 TIMING: 682200 CPU: 2032.08, 0.00299769/step Wall: 2032.08, 0.00299769/step, 3.59539 hours remaining, 207.011719 MB of memory in use. ENERGY: 682200 753.3431 2102.9622 1944.1051 117.3791 -206436.0278 17991.6052 0.0000 0.0000 34255.8050 -149270.8280 299.1645 -183526.6330 -149174.0271 298.8495 35.2429 71.6263 557735.7619 0.7496 0.7121 PRESSURE: 682400 -195.412 -60.6523 -157.702 -60.6526 57.442 99.0822 -157.702 99.08 78.3245 GPRESSURE: 682400 -165.356 60.9661 -180.633 -135.076 84.9042 94.7414 -76.7989 78.4126 119.967 PRESSAVG: 682400 -83.595 -74.8374 -3.69261 -74.8374 45.4491 -39.7922 -3.69261 -39.7922 44.0813 GPRESSAVG: 682400 -84.8373 -74.5442 -2.48887 -74.2043 45.7688 -40.9831 -5.01369 -38.2243 44.9275 TIMING: 682400 CPU: 2032.68, 0.00302236/step Wall: 2032.68, 0.00302236/step, 3.62482 hours remaining, 207.011719 MB of memory in use. ENERGY: 682400 726.0745 2085.4782 1974.2472 116.5441 -205889.7862 17593.6863 0.0000 0.0000 34274.8129 -149118.9431 299.3305 -183393.7560 -149025.1823 299.2573 -19.8820 13.1716 557839.6433 1.9784 1.9530 PRESSURE: 682600 -150.308 -71.6735 88.7967 -71.6746 -2.49151 158.865 88.7975 158.865 -75.8441 GPRESSURE: 682600 -140.853 -165.666 63.2917 -30.1921 27.7493 77.5557 68.4582 237.764 -21.5139 PRESSAVG: 682600 -58.2865 -81.6452 -7.22944 -81.6452 19.1554 65.2998 -7.22949 65.2998 64.3532 GPRESSAVG: 682600 -58.1493 -81.0032 -9.26503 -80.5925 19.4476 67.016 -5.86833 64.3867 64.1033 TIMING: 682600 CPU: 2033.28, 0.00299927/step Wall: 2033.28, 0.00299927/step, 3.59695 hours remaining, 207.011719 MB of memory in use. ENERGY: 682600 727.9512 2066.6158 1989.0135 108.3196 -206003.8281 17773.3879 0.0000 0.0000 34396.1150 -148942.4250 300.3898 -183338.5401 -148849.1482 299.2059 -76.2146 -44.8726 556324.1300 8.4074 8.4672 PRESSURE: 682800 -382.94 -119.141 -101.753 -119.143 -277.338 94.2493 -101.752 94.2503 -193.417 GPRESSURE: 682800 -393.692 -55.1817 -121.494 -157.776 -191.896 44.2802 -121.981 73.3414 -152.007 PRESSAVG: 682800 59.9237 -31.3753 36.8166 -31.3753 8.04059 -7.78603 36.8165 -7.7861 -19.8968 GPRESSAVG: 682800 58.8589 -29.817 37.9957 -32.7623 9.39774 -7.84651 35.5204 -9.08481 -20.1959 TIMING: 682800 CPU: 2033.89, 0.0030257/step Wall: 2033.89, 0.0030257/step, 3.62849 hours remaining, 207.011719 MB of memory in use. ENERGY: 682800 692.7980 2101.8280 1937.3427 99.2147 -205550.3140 17211.0014 0.0000 0.0000 34516.1773 -148991.9520 301.4384 -183508.1292 -148893.4536 300.4306 -284.5650 -245.8653 557951.5415 16.0225 16.0203 PRESSURE: 683000 205.679 -34.9104 24.0463 -34.911 52.2297 -44.839 24.046 -44.8393 39.4528 GPRESSURE: 683000 279.692 -32.6513 115.993 -37.1255 21.5378 -48.3172 -22.6527 46.4843 96.9974 PRESSAVG: 683000 20.8192 -26.7608 9.10906 -26.7607 27.1833 -32.2009 9.10914 -32.2009 -7.84966 GPRESSAVG: 683000 22.0528 -27.6966 9.74776 -25.9742 25.7599 -31.5804 9.74418 -32.0765 -7.62819 TIMING: 683000 CPU: 2034.49, 0.00299112/step Wall: 2034.49, 0.00299112/step, 3.58686 hours remaining, 207.011719 MB of memory in use. ENERGY: 683000 748.0026 2124.5580 1943.1313 108.9906 -205886.5298 17766.5257 0.0000 0.0000 34314.6759 -148880.6457 299.6786 -183195.3216 -148790.6613 299.9985 99.1207 132.7424 557447.3221 13.3843 13.3948 PRESSURE: 683200 -158.3 105.822 -132.346 105.822 -190.196 -20.4802 -132.348 -20.4812 -62.2753 GPRESSURE: 683200 -183.414 106.577 -133.169 82.631 -110.28 -25.0017 -101.16 -3.51088 -32.8475 PRESSAVG: 683200 64.8553 -23.3553 -45.7295 -23.3552 11.2837 -43.8662 -45.7295 -43.8662 -61.5342 GPRESSAVG: 683200 64.3416 -23.5971 -47.4255 -23.1388 11.249 -44.2779 -46.3169 -43.4059 -61.5102 TIMING: 683200 CPU: 2035.09, 0.00300113/step Wall: 2035.09, 0.00300113/step, 3.59869 hours remaining, 207.011719 MB of memory in use. ENERGY: 683200 732.7143 2081.8855 1942.0942 112.7012 -205565.7801 17541.3042 0.0000 0.0000 34346.1296 -148808.9512 299.9533 -183155.0808 -148713.4962 299.9433 -136.9238 -108.8472 560455.0163 4.8683 4.6935 PRESSURE: 683400 -178.704 -0.385566 0.314844 -0.386241 -245.724 82.988 0.316431 82.9872 -151.18 GPRESSURE: 683400 -152.929 1.43431 -24.5003 39.2226 -200.468 3.73276 -102.623 100.835 -122.926 PRESSAVG: 683400 63.4364 21.8439 -8.73771 21.844 13.925 -101.916 -8.73774 -101.916 -44.1288 GPRESSAVG: 683400 63.6969 20.6025 -5.65863 21.7135 13.837 -102.017 -11.1268 -101.785 -43.8974 TIMING: 683400 CPU: 2035.68, 0.00299413/step Wall: 2035.68, 0.00299413/step, 3.59013 hours remaining, 207.011719 MB of memory in use. ENERGY: 683400 722.9274 2130.9022 1935.6655 110.1311 -205641.5668 17367.9906 0.0000 0.0000 34569.8967 -148804.0533 301.9075 -183373.9500 -148707.1065 300.6398 -191.8693 -158.7743 559115.3196 11.0775 11.2122 PRESSURE: 683600 -125.736 18.3259 49.1274 18.3274 -191.603 -77.7613 49.1266 -77.7634 -9.59142 GPRESSURE: 683600 -67.0969 21.088 5.95904 37.3849 -158.853 -94.1762 96.2198 -62.9167 -4.718 PRESSAVG: 683600 35.1024 -47.2786 -33.3317 -47.2786 33.8979 -5.07825 -33.3316 -5.07826 -15.1461 GPRESSAVG: 683600 35.7227 -47.1639 -35.4483 -48.0744 34.2937 -3.26272 -31.3549 -6.66262 -16.3823 TIMING: 683600 CPU: 2036.28, 0.00299781/step Wall: 2036.28, 0.00299781/step, 3.59438 hours remaining, 207.011719 MB of memory in use. ENERGY: 683600 786.8888 2123.5924 1905.0867 105.6166 -205944.1805 17760.6507 0.0000 0.0000 34275.0607 -148987.2845 299.3326 -183262.3452 -148899.0677 300.2702 -108.9768 -76.8893 557210.3780 17.9514 17.8780 PRESSURE: 683800 -318.108 50.7911 81.8426 50.791 -207.344 14.5851 81.844 14.5837 -224.787 GPRESSURE: 683800 -305.617 130.819 74.2215 126.762 -137.101 -86.4966 88.8609 66.0995 -212.672 PRESSAVG: 683800 -58.2524 33.6797 45.2179 33.6797 116.099 24.0937 45.2179 24.0938 -49.1988 GPRESSAVG: 683800 -58.5644 33.3178 45.2833 35.5525 115.974 20.7724 45.6 27.7707 -48.9067 TIMING: 683800 CPU: 2036.88, 0.00299643/step Wall: 2036.88, 0.00299643/step, 3.59255 hours remaining, 207.011719 MB of memory in use. ENERGY: 683800 764.6522 2022.7262 1946.9174 112.2322 -205261.1085 17414.3878 0.0000 0.0000 34133.2015 -148866.9912 298.0937 -183000.1927 -148773.2485 299.3542 -250.0795 -218.4632 560141.0803 2.8825 2.8344 PRESSURE: 684000 -135.378 99.0115 2.13371 99.0122 -142.537 1.88633 2.13251 1.8874 -263.628 GPRESSURE: 684000 -122.55 80.1623 56.8603 5.44568 -113.963 84.2693 -16.579 79.2854 -211.949 PRESSAVG: 684000 -9.09872 30.2439 -8.99425 30.244 17.3369 22.1566 -8.99425 22.1564 -17.6109 GPRESSAVG: 684000 -8.81303 30.6892 -8.43804 29.4417 18.1737 24.7276 -9.4491 20.1337 -18.2543 TIMING: 684000 CPU: 2037.47, 0.00295979/step Wall: 2037.47, 0.00295979/step, 3.54846 hours remaining, 207.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 684000 739.7445 2026.9314 1945.6576 107.0484 -205214.6428 17526.4068 0.0000 0.0000 34112.4103 -148756.4439 297.9122 -182868.8542 -148666.3572 299.5106 -180.5143 -149.4873 559106.5235 -3.1242 -2.9645 PRESSURE: 684200 -250.189 228.712 -29.5594 228.711 -69.0101 -217.567 -29.5588 -217.565 38.5785 GPRESSURE: 684200 -226.829 263.365 13.5505 143.61 -50.3196 -285.897 -41.645 -236.309 81.0812 PRESSAVG: 684200 18.2048 -4.13421 -8.91324 -4.13418 21.1073 -54.7774 -8.91327 -54.7775 -8.03265 GPRESSAVG: 684200 17.6176 -3.62799 -6.6199 -4.97717 20.4613 -55.7985 -8.77908 -52.8966 -7.13756 TIMING: 684200 CPU: 2038.07, 0.0029803/step Wall: 2038.07, 0.0029803/step, 3.57289 hours remaining, 207.011719 MB of memory in use. ENERGY: 684200 723.7187 2071.6601 1956.6245 107.8165 -205661.4264 17633.7120 0.0000 0.0000 34486.9442 -148680.9503 301.1831 -183167.8946 -148582.2794 299.9899 -93.5401 -65.3559 558520.5600 10.4265 10.3138 LDB: ============= START OF LOAD BALANCING ============== 2041.62 LDB: ============== END OF LOAD BALANCING =============== 2041.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2041.62 LDB: ============= START OF LOAD BALANCING ============== 2041.92 LDB: Largest compute 4773 load 0.027147 is 23.0% of average load 0.118046 LDB: Average compute 0.001738 is 1.5% of average load 0.118046 LDB: TIME 2041.92 LOAD: AVG 0.118046 MAX 0.20514 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.5 MB LDB: TIME 2041.92 LOAD: AVG 0.118046 MAX 0.20514 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.5 MB LDB: TIME 2041.92 LOAD: AVG 0.118046 MAX 0.20514 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.5 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2041.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2041.93 PRESSURE: 684400 -260.013 95.7932 -31.7317 95.792 1.52005 -114.558 -31.7315 -114.558 -328.094 GPRESSURE: 684400 -187.953 91.2399 -92.25 156.833 32.7324 -112.194 -28.0216 -213.681 -329.414 PRESSAVG: 684400 9.78776 46.4363 -0.533324 46.4363 8.56125 -45.5065 -0.533418 -45.5064 33.0339 GPRESSAVG: 684400 11.2077 45.2754 -4.76479 47.2953 6.92797 -44.1234 1.93593 -46.6276 33.1963 TIMING: 684400 CPU: 2038.68, 0.00304577/step Wall: 2038.68, 0.00304577/step, 3.6512 hours remaining, 205.988281 MB of memory in use. ENERGY: 684400 754.5191 2026.8726 1945.9039 111.1229 -205471.8912 17583.9322 0.0000 0.0000 34240.4976 -148809.0429 299.0308 -183049.5405 -148710.4432 300.1138 -195.5288 -161.5448 560133.7688 17.1276 17.1107 PRESSURE: 684600 -25.1517 -38.1172 -20.9928 -38.1173 150.572 -28.8622 -20.9917 -28.8609 -116.047 GPRESSURE: 684600 31.5668 -36.161 -9.01971 -40.1707 165.593 59.433 4.51754 -11.5129 -95.4041 PRESSAVG: 684600 -1.77016 30.5084 17.3552 30.5086 23.3309 -24.6815 17.3552 -24.6815 -41.2531 GPRESSAVG: 684600 -2.58114 30.1452 18.5474 30.6481 24.7281 -23.9199 17.7272 -25.4322 -41.5427 TIMING: 684600 CPU: 2039.28, 0.00297601/step Wall: 2039.28, 0.00297601/step, 3.56741 hours remaining, 205.988281 MB of memory in use. ENERGY: 684600 730.3313 2079.3478 1939.0038 115.9336 -205966.7300 17809.4529 0.0000 0.0000 34436.6864 -148855.9741 300.7441 -183292.6605 -148761.8753 300.1173 3.1244 33.9186 558772.8511 -6.5641 -6.4652 PRESSURE: 684800 -84.4399 -31.5198 -12.6613 -31.5193 -204.235 178.946 -12.6612 178.946 6.04516 GPRESSURE: 684800 -19.7807 31.7704 36.7481 -48.1079 -160.415 64.7781 -16.6447 211.336 7.02536 PRESSAVG: 684800 -36.9134 56.9056 -22.0149 56.9055 38.9047 -3.18951 -22.0148 -3.18947 18.2841 GPRESSAVG: 684800 -36.206 59.1473 -21.8483 55.1978 38.9266 -4.64677 -23.4361 -2.08019 17.4579 TIMING: 684800 CPU: 2039.88, 0.00301082/step Wall: 2039.88, 0.00301082/step, 3.60897 hours remaining, 205.988281 MB of memory in use. ENERGY: 684800 699.4820 2072.7498 1939.5505 108.2033 -205776.0284 17422.7043 0.0000 0.0000 34399.4759 -149133.8626 300.4192 -183533.3384 -149041.4499 299.8814 -94.2098 -57.7233 557881.3880 6.7585 6.7262 PRESSURE: 685000 152.789 -80.4072 88.4354 -80.4064 171.875 -132.262 88.4344 -132.26 93.6211 GPRESSURE: 685000 219.421 -26.1475 80.6345 -162.65 187.804 -70.648 93.4579 -203.99 99.7096 PRESSAVG: 685000 32.886 4.19772 -2.63389 4.19781 -2.19068 -30.0796 -2.63391 -30.0797 -7.05973 GPRESSAVG: 685000 32.0665 3.54 -3.95193 3.61695 -2.15107 -30.617 -2.15486 -29.4735 -5.99315 TIMING: 685000 CPU: 2040.48, 0.00299736/step Wall: 2040.48, 0.00299736/step, 3.59267 hours remaining, 205.988281 MB of memory in use. ENERGY: 685000 741.4272 2082.5580 1930.7158 120.3772 -206180.9040 17946.4310 0.0000 0.0000 34292.0172 -149067.3776 299.4807 -183359.3948 -148977.5039 300.0465 139.4282 168.9785 557286.6229 7.8785 7.9741 PRESSURE: 685200 -50.1249 -0.8287 -28.9076 -0.82806 -33.4614 67.5411 -28.9076 67.5426 9.28131 GPRESSURE: 685200 41.3119 28.032 -19.4304 42.825 26.2788 100.155 20.0977 53.5018 -39.0718 PRESSAVG: 685200 -28.8428 34.4923 -7.66778 34.4923 -28.9371 -20.1469 -7.66773 -20.1469 27.5233 GPRESSAVG: 685200 -28.2042 35.4791 -5.70356 34.5208 -28.9875 -20.6527 -8.90982 -20.5954 27.3166 TIMING: 685200 CPU: 2041.08, 0.00299107/step Wall: 2041.08, 0.00299107/step, 3.58496 hours remaining, 205.988281 MB of memory in use. ENERGY: 685200 762.0201 2039.3848 1945.2772 120.9095 -206015.8688 17723.3670 0.0000 0.0000 34282.0722 -149142.8381 299.3939 -183424.9102 -149048.1073 299.5726 -24.7683 9.5063 558433.8210 -10.0855 -9.9584 PRESSURE: 685400 -19.9384 -62.5143 6.25724 -62.5144 -146.508 47.4263 6.25777 47.4286 -176.285 GPRESSURE: 685400 -30.3995 -134.603 37.7362 -115.111 -72.8962 6.37306 -0.755142 32.1865 -133.409 PRESSAVG: 685400 27.5712 6.77438 20.9868 6.77438 -37.699 5.18753 20.9867 5.18743 62.2439 GPRESSAVG: 685400 27.2533 3.90496 22.6643 7.5163 -37.0215 5.24861 19.7077 7.17416 61.7265 TIMING: 685400 CPU: 2041.68, 0.00301386/step Wall: 2041.68, 0.00301386/step, 3.61211 hours remaining, 205.988281 MB of memory in use. ENERGY: 685400 725.7562 2020.7088 1913.7940 118.2955 -205994.4081 17637.0813 0.0000 0.0000 34397.9597 -149180.8125 300.4059 -183578.7722 -149088.4536 298.7705 -114.2438 -78.9016 557694.9070 17.3720 17.3194 PRESSURE: 685600 -47.4733 -22.2559 54.6475 -22.2548 -191.764 111.88 54.6472 111.882 -50.9128 GPRESSURE: 685600 -21.9701 30.4419 41.0711 -50.3291 -160.189 95.365 102.737 76.355 -0.0879426 PRESSAVG: 685600 -20.9752 -11.0762 44.8188 -11.0762 -33.4042 3.47488 44.8188 3.47493 32.0851 GPRESSAVG: 685600 -20.7897 -11.3316 42.8975 -8.44054 -34.4168 4.38841 43.983 1.20742 33.2893 TIMING: 685600 CPU: 2042.28, 0.00300881/step Wall: 2042.28, 0.00300881/step, 3.60589 hours remaining, 205.988281 MB of memory in use. ENERGY: 685600 756.0411 2099.3353 1922.2512 112.4663 -205856.4480 17762.5251 0.0000 0.0000 34223.7710 -148980.0580 298.8847 -183203.8290 -148877.2171 299.8906 -96.7168 -60.7490 558949.1732 -7.4314 -7.3057 PRESSURE: 685800 260.607 -63.5063 -46.9551 -63.5058 52.3393 -12.7331 -46.9552 -12.7313 -38.1981 GPRESSURE: 685800 292.688 -73.208 -77.3243 -68.6606 57.1122 10.4048 12.7558 5.65429 20.859 PRESSAVG: 685800 42.9876 46.3413 48.0859 46.3413 24.1295 12.6453 48.0859 12.6452 -9.5285 GPRESSAVG: 685800 43.5502 45.9291 49.6298 43.8723 23.818 11.3594 49.4553 12.2867 -9.62041 TIMING: 685800 CPU: 2042.88, 0.00301654/step Wall: 2042.88, 0.00301654/step, 3.61499 hours remaining, 205.988281 MB of memory in use. ENERGY: 685800 758.7544 2080.5815 1926.9326 118.3577 -206360.5846 17923.7369 0.0000 0.0000 34709.4814 -148842.7401 303.1265 -183552.2215 -148740.0976 300.3559 91.5827 123.5529 557983.3062 19.1962 19.2493 PRESSURE: 686000 25.0194 -83.8505 -37.5559 -83.8512 111.909 113.209 -37.5578 113.21 17.2684 GPRESSURE: 686000 80.7127 5.88828 -62.1783 -135.983 116.879 62.7938 -31.9011 108.429 57.1831 PRESSAVG: 686000 16.9409 -20.7099 25.0919 -20.7098 -0.740644 -4.59804 25.092 -4.59805 -64.8544 GPRESSAVG: 686000 16.0176 -18.7713 22.0194 -21.7394 -0.236666 -3.54079 26.1227 -3.73948 -65.0204 TIMING: 686000 CPU: 2043.48, 0.00297202/step Wall: 2043.48, 0.00297202/step, 3.56147 hours remaining, 205.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 686000 760.6956 2145.4463 1947.6711 111.3075 -206216.0933 17958.5036 0.0000 0.0000 34277.5047 -149014.9645 299.3540 -183292.4692 -148910.2144 300.4419 51.3990 84.9249 558328.7404 -16.2180 -16.4132 PRESSURE: 686200 -17.7984 -24.3768 -135.987 -24.3762 -323.288 113.863 -135.987 113.864 -90.9133 GPRESSURE: 686200 -21.2378 -28.5858 -185.038 -88.6278 -231.404 184.054 -106.402 133.311 -76.2489 PRESSAVG: 686200 -7.27525 18.0369 -39.7573 18.0368 12.6185 55.5647 -39.7574 55.5647 -34.6294 GPRESSAVG: 686200 -6.97725 15.017 -37.4765 19.332 13.2026 55.6637 -37.9712 56.6693 -35.3632 TIMING: 686200 CPU: 2044.08, 0.0029882/step Wall: 2044.08, 0.0029882/step, 3.5807 hours remaining, 205.988281 MB of memory in use. ENERGY: 686200 760.9396 2095.9521 1923.4222 122.4452 -205766.4839 17653.3082 0.0000 0.0000 34405.4499 -148804.9666 300.4714 -183210.4165 -148704.7725 300.4126 -143.9998 -109.6302 558433.0210 -9.7621 -9.7126 PRESSURE: 686400 5.03491 -31.5947 -78.3363 -31.5937 126.458 160.529 -78.3364 160.53 261.013 GPRESSURE: 686400 46.1833 -115.542 -157.864 -9.56896 137.513 138.508 -12.3839 108.535 316.752 PRESSAVG: 686400 80.4449 -9.51526 -36.8657 -9.51534 -17.5947 -23.6438 -36.8657 -23.6439 -44.4185 GPRESSAVG: 686400 80.9799 -5.81221 -36.3734 -10.7292 -17.8048 -25.1934 -38.6827 -24.2882 -44.5301 TIMING: 686400 CPU: 2044.67, 0.00298233/step Wall: 2044.67, 0.00298233/step, 3.5735 hours remaining, 205.988281 MB of memory in use. ENERGY: 686400 742.5394 2022.0051 1918.7303 108.6411 -206262.3767 17943.6141 0.0000 0.0000 34560.9682 -148965.8785 301.8295 -183526.8467 -148864.3973 300.2467 130.8352 166.8161 556519.4471 6.1439 6.2150 PRESSURE: 686600 193.232 -49.2267 -143.749 -49.2279 -6.1595 79.0152 -143.75 79.0142 -89.515 GPRESSURE: 686600 253.828 -67.0198 -135.319 3.13549 37.5742 53.2155 -122.146 10.1596 -98.2467 PRESSAVG: 686600 53.0636 6.26147 -55.4149 6.2615 1.56804 22.3475 -55.4148 22.3475 -50.7056 GPRESSAVG: 686600 51.0626 4.42251 -57.2208 9.49339 2.81001 24.1501 -55.0504 20.881 -49.9531 TIMING: 686600 CPU: 2045.27, 0.00300166/step Wall: 2045.27, 0.00300166/step, 3.59649 hours remaining, 205.988281 MB of memory in use. ENERGY: 686600 745.3812 2075.9702 1922.6201 103.7785 -205931.6273 17841.8962 0.0000 0.0000 34222.7085 -149019.2725 298.8754 -183241.9810 -148927.0723 299.3873 32.5192 64.3851 557579.3062 1.3087 1.3065 PRESSURE: 686800 -133.545 187.823 7.64937 187.822 317.672 9.28887 7.64874 9.29013 219.858 GPRESSURE: 686800 -120.062 90.2581 81.4261 196.544 333.332 -62.5385 -11.0683 83.9985 289.956 PRESSAVG: 686800 -23.169 36.4633 -1.98795 36.4634 41.3648 6.2846 -1.98792 6.28451 -5.26214 GPRESSAVG: 686800 -22.0857 38.192 -1.60358 33.8947 40.8252 5.88096 -2.21918 6.40613 -5.33327 TIMING: 686800 CPU: 2045.87, 0.00298085/step Wall: 2045.87, 0.00298085/step, 3.57139 hours remaining, 205.988281 MB of memory in use. ENERGY: 686800 767.5357 2115.5400 1916.7135 114.6373 -206286.0637 17917.1164 0.0000 0.0000 34375.3147 -149079.2061 300.2082 -183454.5208 -148977.8725 299.5446 134.6617 167.7423 555507.2226 4.3112 4.4688 PRESSURE: 687000 -18.6732 14.7702 -75.6818 14.7698 74.2549 -66.2757 -75.6825 -66.2774 -32.4169 GPRESSURE: 687000 77.599 19.517 -161.662 34.3538 58.3809 -99.0349 -11.7065 17.4998 -0.142862 PRESSAVG: 687000 20.4121 -28.306 45.3361 -28.306 1.25453 14.0476 45.3362 14.0474 -4.58323 GPRESSAVG: 687000 20.7089 -29.6501 45.5169 -27.2632 1.14881 13.0622 43.2995 16.4596 -4.54 TIMING: 687000 CPU: 2046.46, 0.00298132/step Wall: 2046.46, 0.00298132/step, 3.57179 hours remaining, 205.988281 MB of memory in use. ENERGY: 687000 741.1356 2130.3158 1910.7801 115.5580 -206014.5451 17763.7253 0.0000 0.0000 34368.4538 -148984.5765 300.1483 -183353.0303 -148895.4603 300.2157 7.7216 45.2790 557972.7522 5.6945 5.7726 PRESSURE: 687200 394.635 173.272 27.1782 173.273 95.1222 101.275 27.1805 101.274 144.017 GPRESSURE: 687200 372.765 136.611 51.4888 118.389 197.013 39.4295 -28.0112 86.2291 156.828 PRESSAVG: 687200 -37.8158 -6.74115 24.3827 -6.74108 40.2319 2.64822 24.3827 2.64832 -14.4185 GPRESSAVG: 687200 -38.0313 -6.75462 23.0473 -6.76855 39.7906 3.72788 25.1216 0.982357 -13.1703 TIMING: 687200 CPU: 2047.06, 0.00296732/step Wall: 2047.06, 0.00296732/step, 3.55484 hours remaining, 205.988281 MB of memory in use. ENERGY: 687200 734.2160 2059.8598 1918.5993 102.7675 -206370.1903 18065.4623 0.0000 0.0000 34389.7823 -149099.5031 300.3345 -183489.2854 -149000.1792 299.5748 211.2581 242.2018 556202.9670 -4.0008 -3.8037 PRESSURE: 687400 -43.4912 45.9275 -26.8524 45.9264 55.8661 -10.0601 -26.8539 -10.0607 -161.237 GPRESSURE: 687400 4.39659 -24.7856 -2.6787 156.966 45.4585 -45.0038 20.796 -60.8455 -105.758 PRESSAVG: 687400 18.7045 -2.12373 10.2869 -2.1237 -16.2883 36.1224 10.2868 36.1224 31.5421 GPRESSAVG: 687400 18.5556 0.0791509 11.5101 -0.420647 -15.473 34.4428 10.9176 37.0459 31.1865 TIMING: 687400 CPU: 2047.65, 0.00298526/step Wall: 2047.65, 0.00298526/step, 3.57618 hours remaining, 205.988281 MB of memory in use. ENERGY: 687400 734.8691 2104.1994 1930.6306 98.2907 -206082.4278 17697.7606 0.0000 0.0000 34376.6625 -149140.0148 300.2199 -183516.6773 -149037.9777 300.0594 -49.6208 -18.6342 556303.5457 11.3194 11.4230 PRESSURE: 687600 -98.866 -247.388 1.57905 -247.388 18.4411 -103.146 1.57869 -103.147 -178.094 GPRESSURE: 687600 -67.8032 -199.547 47.2048 -306.863 43.4733 -92.9892 -30.3589 -137.776 -139.54 PRESSAVG: 687600 32.8506 -30.2944 15.2583 -30.2945 -10.1047 -6.30445 15.2583 -6.30446 -20.8735 GPRESSAVG: 687600 32.9359 -30.4569 14.3782 -32.6182 -9.75247 -7.34159 15.9413 -5.64032 -21.6284 TIMING: 687600 CPU: 2048.26, 0.0030074/step Wall: 2048.26, 0.0030074/step, 3.60253 hours remaining, 205.988281 MB of memory in use. ENERGY: 687600 759.9791 2083.1588 1947.4907 108.9340 -205708.4110 17698.1668 0.0000 0.0000 34025.0741 -149085.6074 297.1494 -183110.6816 -148995.6748 299.6070 -86.1729 -54.6233 557302.0130 0.6241 0.5184 PRESSURE: 687800 -106.454 -35.0499 86.4915 -35.0497 -18.9619 107.474 86.4922 107.475 -116.96 GPRESSURE: 687800 -67.3902 -109.007 31.0958 -44.3293 9.20422 65.5438 60.5365 159.008 -91.5549 PRESSAVG: 687800 33.6179 -62.8622 61.7727 -62.8622 36.2369 49.8764 61.7726 49.8763 -78.4803 GPRESSAVG: 687800 34.8571 -65.3523 63.8814 -63.4589 35.0391 53.2766 60.5903 46.2648 -78.7288 TIMING: 687800 CPU: 2048.85, 0.00296343/step Wall: 2048.85, 0.00296343/step, 3.5497 hours remaining, 205.988281 MB of memory in use. ENERGY: 687800 759.6281 2164.2079 1894.2547 111.9911 -205989.2460 17613.5489 0.0000 0.0000 34219.0522 -149226.5630 298.8435 -183445.6152 -149129.7790 299.2638 -80.7921 -49.9136 556624.3684 -2.8752 -2.9442 PRESSURE: 688000 108.843 -38.7785 -29.4486 -38.7783 16.2941 -123.429 -29.4493 -123.43 57.1499 GPRESSURE: 688000 202.467 -61.8783 -49.7084 36.84 7.88598 -67.8601 18.1777 -116.634 75.9402 PRESSAVG: 688000 24.2248 -12.703 -40.9428 -12.7029 52.9478 10.5617 -40.9428 10.5617 -135.061 GPRESSAVG: 688000 22.9531 -12.2723 -42.6455 -10.0003 53.8588 7.58596 -39.3544 12.9069 -134.173 TIMING: 688000 CPU: 2049.44, 0.00297296/step Wall: 2049.44, 0.00297295/step, 3.56094 hours remaining, 205.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 688000 724.7305 2054.4692 1927.1324 122.5954 -206396.6398 17887.2105 0.0000 0.0000 34316.6925 -149363.8095 299.6962 -183680.5020 -149268.1015 299.7194 60.7623 95.4311 556870.8714 -19.2960 -19.1205 PRESSURE: 688200 -68.4008 -17.5569 117.127 -17.5567 -258.555 28.6707 117.127 28.6713 -382.588 GPRESSURE: 688200 -36.7415 44.5976 116.53 -69.1314 -268.133 14.6409 61.1671 82.6777 -302.518 PRESSAVG: 688200 -1.7187 -11.2629 -28.4478 -11.263 66.2463 -18.8978 -28.4478 -18.8977 -69.1845 GPRESSAVG: 688200 -1.17656 -9.84521 -29.7018 -12.779 64.9869 -18.1626 -27.559 -19.5662 -68.378 TIMING: 688200 CPU: 2050.03, 0.00295016/step Wall: 2050.03, 0.00295016/step, 3.53347 hours remaining, 205.988281 MB of memory in use. ENERGY: 688200 732.5062 2054.1963 1918.7556 110.2321 -205904.4116 17471.0709 0.0000 0.0000 34247.8990 -149369.7516 299.0954 -183617.6505 -149273.9820 299.2174 -236.5145 -202.4640 557815.9607 -1.5523 -1.5226 LDB: ============= START OF LOAD BALANCING ============== 2053.58 LDB: ============== END OF LOAD BALANCING =============== 2053.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2053.58 LDB: ============= START OF LOAD BALANCING ============== 2053.88 LDB: Largest compute 4773 load 0.027785 is 23.5% of average load 0.118137 LDB: Average compute 0.001733 is 1.5% of average load 0.118137 LDB: TIME 2053.88 LOAD: AVG 0.118137 MAX 0.20363 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.523 MB LDB: TIME 2053.88 LOAD: AVG 0.118137 MAX 0.20363 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.523 MB LDB: TIME 2053.88 LOAD: AVG 0.118137 MAX 0.20363 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.523 MB LDB: ============== END OF LOAD BALANCING =============== 2053.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2053.88 PRESSURE: 688400 -139.568 72.7075 -36.1197 72.709 -345.614 -68.0837 -36.1197 -68.0834 -309.165 GPRESSURE: 688400 -147.367 111.294 -48.7619 -5.63369 -289.067 -34.8246 2.14229 -127.887 -261.392 PRESSAVG: 688400 39.4546 5.96473 -13.4787 5.96473 -47.4633 57.3109 -13.4787 57.3109 28.2193 GPRESSAVG: 688400 40.2708 5.42946 -11.7557 4.63857 -46.9649 58.3305 -16.6164 57.4075 26.8026 TIMING: 688400 CPU: 2050.63, 0.00300432/step Wall: 2050.63, 0.00300432/step, 3.59817 hours remaining, 207.269531 MB of memory in use. ENERGY: 688400 760.4023 2064.8514 1930.8849 115.3469 -205884.8029 17467.6898 0.0000 0.0000 34300.0447 -149245.5830 299.5508 -183545.6276 -149145.7425 299.9993 -264.7824 -232.6086 557633.4920 6.7369 6.7028 PRESSURE: 688600 -106.519 -72.0802 -108.356 -72.0806 30.2525 -250.575 -108.357 -250.574 -77.8218 GPRESSURE: 688600 -84.1331 -55.926 -122.257 -95.4068 6.54948 -198.743 -112.613 -277.081 12.9556 PRESSAVG: 688600 48.6779 11.5343 12.335 11.5343 -52.7027 -43.6097 12.3348 -43.6098 -11.2106 GPRESSAVG: 688600 47.3818 12.0295 11.619 10.4894 -52.8268 -42.9494 14.22 -43.6795 -9.49618 TIMING: 688600 CPU: 2051.23, 0.00295979/step Wall: 2051.23, 0.00295979/step, 3.54468 hours remaining, 207.269531 MB of memory in use. ENERGY: 688600 752.2752 2088.8260 1923.4692 120.9083 -205961.3686 17713.0933 0.0000 0.0000 34298.6073 -149064.1893 299.5383 -183362.7966 -148964.3744 299.5346 -51.3627 -21.5427 557824.5546 -5.0785 -4.9804 PRESSURE: 688800 36.6863 -99.9836 131.149 -99.9848 -104.236 -64.6011 131.147 -64.6016 164.544 GPRESSURE: 688800 72.0275 -1.76318 9.20996 -147.799 -36.7148 -89.8262 154.533 -33.9623 157.249 PRESSAVG: 688800 24.267 -4.91196 -5.56554 -4.9119 58.5006 -13.6923 -5.56549 -13.6923 -25.1723 GPRESSAVG: 688800 25.8145 -6.8478 -4.66186 -3.51248 59.0137 -12.8708 -5.87959 -14.3718 -26.9452 TIMING: 688800 CPU: 2051.82, 0.00294824/step Wall: 2051.82, 0.00294824/step, 3.53068 hours remaining, 207.269531 MB of memory in use. ENERGY: 688800 735.3917 2047.9700 1915.6827 115.5420 -206158.1782 17889.6330 0.0000 0.0000 34343.2936 -149110.6652 299.9285 -183453.9588 -149008.7506 299.3768 32.3315 64.1872 557157.2305 19.1984 19.2943 PRESSURE: 689000 -41.7195 37.8907 10.2308 37.8907 212.699 -139.296 10.2313 -139.297 -269.657 GPRESSURE: 689000 -20.1425 39.1882 94.1009 7.4412 302.379 -118.522 50.7679 -199.69 -282.064 PRESSAVG: 689000 18.1541 38.6597 -20.3336 38.6597 55.1335 -19.6362 -20.3336 -19.6361 -55.9676 GPRESSAVG: 689000 17.0589 39.8723 -19.9819 37.5924 55.4022 -21.7615 -19.5803 -20.7603 -55.4968 TIMING: 689000 CPU: 2052.41, 0.00296056/step Wall: 2052.41, 0.00296056/step, 3.54528 hours remaining, 207.269531 MB of memory in use. ENERGY: 689000 736.9659 2051.9561 1941.3643 120.7402 -206185.5885 17878.9097 0.0000 0.0000 34209.6210 -149246.0311 298.7611 -183455.6521 -149150.3871 298.8433 -32.8927 0.0577 557831.0741 5.7733 5.6548 PRESSURE: 689200 -227.097 158.397 -11.4981 158.397 -290.257 -6.87931 -11.4987 -6.88065 1.23429 GPRESSURE: 689200 -183.317 207.315 116.027 179.766 -282.172 -72.3987 -129.588 45.2773 42.1636 PRESSAVG: 689200 40.4843 24.3849 -33.424 24.3849 -15.053 5.75894 -33.424 5.75892 -56.3857 GPRESSAVG: 689200 41.6866 23.1554 -36.6914 25.256 -14.1489 3.92027 -33.8328 10.6085 -58.7425 TIMING: 689200 CPU: 2053, 0.00297994/step Wall: 2053, 0.00297994/step, 3.56831 hours remaining, 207.269531 MB of memory in use. ENERGY: 689200 742.4551 2082.5119 1917.7791 113.0228 -205991.8621 17517.7594 0.0000 0.0000 34276.2904 -149342.0434 299.3434 -183618.3338 -149241.9976 298.8235 -172.0398 -141.1086 557809.9035 -10.3182 -10.4016 PRESSURE: 689400 -141.722 189.797 96.614 189.797 -66.1487 -170.59 96.6134 -170.589 -273.014 GPRESSURE: 689400 -112.849 200.362 79.7936 79.1393 -16.8036 -193.196 139.39 -171.804 -250.01 PRESSAVG: 689400 -36.2839 86.0232 30.3518 86.0232 48.0884 -22.1458 30.3517 -22.1459 33.5938 GPRESSAVG: 689400 -37.7521 86.5164 33.9341 87.09 47.2183 -21.1636 29.5611 -24.969 35.8883 TIMING: 689400 CPU: 2053.6, 0.00297589/step Wall: 2053.6, 0.00297589/step, 3.5633 hours remaining, 207.269531 MB of memory in use. ENERGY: 689400 761.4326 2085.8270 1944.8503 116.3696 -206283.8119 17880.6019 0.0000 0.0000 34106.0496 -149388.6808 297.8566 -183494.7304 -149295.0463 299.0529 -160.2951 -126.5542 557444.3427 15.1328 15.1182 PRESSURE: 689600 32.3811 -10.8561 -139.215 -10.8563 -24.272 -62.5447 -139.215 -62.5447 8.37639 GPRESSURE: 689600 56.5381 -137.908 -90.8194 115.152 9.72879 -7.97114 -196.101 -136.996 42.695 PRESSAVG: 689600 3.0678 -5.09507 24.7217 -5.0952 -17.458 4.9006 24.7217 4.90056 -6.67789 GPRESSAVG: 689600 2.87768 -5.07501 23.2212 -6.41678 -17.2934 7.73455 24.8763 2.95073 -6.27674 TIMING: 689600 CPU: 2054.19, 0.00297441/step Wall: 2054.19, 0.00297442/step, 3.56137 hours remaining, 207.269531 MB of memory in use. ENERGY: 689600 775.1655 2088.7932 1925.7390 116.7395 -206396.9001 17918.0827 0.0000 0.0000 34106.8689 -149465.5112 297.8638 -183572.3800 -149361.8818 298.8692 5.4952 36.3206 557525.6768 -7.0227 -6.8975 PRESSURE: 689800 -84.8291 -51.2563 200.54 -51.2552 -212.688 46.4119 200.541 46.4122 -241.876 GPRESSURE: 689800 -67.031 -17.0053 181.955 -27.3199 -153.407 135.032 174.365 -11.8916 -215.328 PRESSAVG: 689800 -23.5716 33.9996 -47.0626 33.9996 4.17776 -17.2602 -47.0626 -17.2601 15.7376 GPRESSAVG: 689800 -23.0375 33.2064 -49.6829 33.136 3.91112 -19.2682 -46.1419 -16.0559 14.895 TIMING: 689800 CPU: 2054.78, 0.0029535/step Wall: 2054.78, 0.0029535/step, 3.53616 hours remaining, 207.269531 MB of memory in use. ENERGY: 689800 747.8182 2115.9437 1926.0392 111.4515 -206460.0211 17684.0975 0.0000 0.0000 34331.8906 -149542.7804 299.8289 -183874.6711 -149443.5217 298.3992 -179.7975 -145.2552 556128.1815 -1.2188 -1.4105 PRESSURE: 690000 -289.962 59.2767 -1.83805 59.2774 -283.2 -19.1025 -1.83882 -19.1011 -219.018 GPRESSURE: 690000 -242.237 -8.48836 13.1837 148.125 -224.146 -37.9794 40.5801 79.6166 -226.374 PRESSAVG: 690000 7.12152 -5.8261 -31.9854 -5.82606 -63.396 -7.91808 -31.9855 -7.91806 48.2412 GPRESSAVG: 690000 6.96605 -5.47558 -30.899 -4.69457 -63.2233 -6.41799 -32.2753 -8.0531 48.5778 TIMING: 690000 CPU: 2055.38, 0.00298953/step Wall: 2055.38, 0.00298953/step, 3.57913 hours remaining, 207.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 690000 767.6720 2052.5558 1935.0663 123.3209 -205930.4424 17324.1535 0.0000 0.0000 34218.0069 -149509.6670 298.8344 -183727.6739 -149415.7382 298.2251 -264.0601 -230.9190 557303.5690 -2.6778 -2.5598 PRESSURE: 690200 -378.255 23.428 -130.78 23.4283 -236.425 -105.549 -130.78 -105.55 63.2778 GPRESSURE: 690200 -355.025 -3.03407 -201.562 11.7269 -149.026 42.7702 -78.3684 -81.0857 64.0804 PRESSAVG: 690200 11.6786 -4.77432 -27.9693 -4.77427 -63.4227 19.6647 -27.9692 19.6648 36.9337 GPRESSAVG: 690200 11.8204 -5.82773 -26.4796 -3.25668 -62.0397 20.7892 -26.9874 19.0185 35.5928 TIMING: 690200 CPU: 2055.98, 0.0030042/step Wall: 2055.98, 0.0030042/step, 3.59653 hours remaining, 207.269531 MB of memory in use. ENERGY: 690200 739.1694 2070.1612 1941.5191 108.1368 -206315.8196 17602.9210 0.0000 0.0000 34296.8739 -149557.0383 299.5231 -183853.9121 -149455.6359 298.6192 -183.8008 -146.6566 557556.2133 -4.9368 -4.8755 PRESSURE: 690400 47.3441 -185.033 -130.137 -185.033 -28.3285 23.6441 -130.137 23.6471 7.60287 GPRESSURE: 690400 101.759 -163.751 -10.52 -200.487 -72.0869 46.8198 -191.384 19.6415 81.1428 PRESSAVG: 690400 51.2507 -34.9498 -35.5948 -34.9497 19.1143 6.73253 -35.5948 6.73259 -7.83907 GPRESSAVG: 690400 51.628 -34.558 -36.1481 -36.1138 17.558 4.44687 -37.7562 8.7728 -6.98893 TIMING: 690400 CPU: 2056.58, 0.00298718/step Wall: 2056.58, 0.00298718/step, 3.57598 hours remaining, 207.359375 MB of memory in use. ENERGY: 690400 746.9690 2085.7844 1907.1246 118.5297 -206398.7740 17925.4549 0.0000 0.0000 34160.2498 -149454.6615 298.3300 -183614.9113 -149361.9012 298.0683 8.8728 36.9384 558912.5250 20.8420 20.7324 PRESSURE: 690600 45.2816 -52.1881 19.1985 -52.1877 -352.097 125.114 19.1989 125.113 -115.196 GPRESSURE: 690600 43.8223 -91.7132 58.9575 -52.0071 -300.856 91.3345 4.53169 156.228 -76.3973 PRESSAVG: 690600 60.014 11.7403 -5.6313 11.7404 -66.6999 1.4677 -5.63139 1.46767 -7.58963 GPRESSAVG: 690600 59.218 11.7946 -6.59527 12.8271 -65.7925 2.10864 -4.82179 0.967307 -8.08495 TIMING: 690600 CPU: 2057.18, 0.0030184/step Wall: 2057.18, 0.0030184/step, 3.61319 hours remaining, 207.359375 MB of memory in use. ENERGY: 690600 749.8067 2089.9102 1935.7823 112.0038 -206403.5426 17755.8265 0.0000 0.0000 34230.7804 -149529.4326 298.9459 -183760.2130 -149436.5762 298.6927 -140.6707 -111.1436 557571.4428 -4.7585 -4.8865 PRESSURE: 690800 29.4269 165.367 36.1668 165.368 48.5318 -10.7497 36.1657 -10.7489 -145.745 GPRESSURE: 690800 58.5711 208.339 71.4054 114.125 70.3547 52.7538 25.6793 17.5165 -110.707 PRESSAVG: 690800 -25.7642 -29.5473 -19.1459 -29.5473 -24.9317 19.2317 -19.1459 19.2317 20.8286 GPRESSAVG: 690800 -24.5847 -29.6409 -19.0196 -30.7394 -26.4796 18.6021 -18.9752 19.6658 20.9271 TIMING: 690800 CPU: 2057.78, 0.00298834/step Wall: 2057.78, 0.00298834/step, 3.57704 hours remaining, 207.359375 MB of memory in use. ENERGY: 690800 744.8230 2099.5750 1942.8136 123.9718 -206417.6602 17805.2037 0.0000 0.0000 34085.7340 -149615.5390 297.6792 -183701.2731 -149526.7600 299.4651 -22.5953 6.0729 557570.1670 -9.9558 -10.0457 PRESSURE: 691000 230.157 57.8872 45.6933 57.8859 137.212 8.13297 45.6931 8.13445 -155.267 GPRESSURE: 691000 260.728 -6.17621 80.0393 60.938 107.708 52.8678 8.1974 -17.8338 -62.8367 PRESSAVG: 691000 20.5598 -19.1785 26.7363 -19.1783 -27.8235 23.5284 26.7363 23.5285 -49.01 GPRESSAVG: 691000 18.9474 -19.4483 27.4512 -18.1434 -27.329 23.2608 27.4359 21.6425 -48.0401 TIMING: 691000 CPU: 2058.38, 0.00299721/step Wall: 2058.38, 0.00299721/step, 3.58749 hours remaining, 207.359375 MB of memory in use. ENERGY: 691000 731.8531 2097.9968 1934.6203 112.2924 -206559.9923 17966.9181 0.0000 0.0000 34098.8617 -149617.4498 297.7938 -183716.3116 -149525.9080 298.5091 70.7006 101.8666 557800.7514 -18.7579 -18.8073 PRESSURE: 691200 120.123 35.2342 34.0104 35.2339 26.2643 80.2916 34.0102 80.2905 -45.4033 GPRESSURE: 691200 163.145 -34.2488 15.2701 47.976 51.5452 45.281 -15.8361 100.196 -23.2853 PRESSAVG: 691200 -3.64831 0.462034 82.5925 0.462173 64.0899 -2.2891 82.5924 -2.28899 -25.1812 GPRESSAVG: 691200 -2.93281 1.29648 82.0904 -1.77734 63.2022 -2.08329 81.4429 -3.26869 -24.8936 TIMING: 691200 CPU: 2058.99, 0.00301678/step Wall: 2058.99, 0.00301678/step, 3.61076 hours remaining, 207.359375 MB of memory in use. ENERGY: 691200 724.0304 2132.0360 1934.4115 112.5022 -206646.6272 17847.6143 0.0000 0.0000 34034.4750 -149861.5579 297.2315 -183896.0329 -149767.7417 297.6092 33.6615 63.8017 555753.1773 11.7535 11.7919 PRESSURE: 691400 -147.658 -34.1302 -181.079 -34.1299 -158.325 -335.047 -181.079 -335.049 77.3197 GPRESSURE: 691400 -88.9289 -149.938 -184.539 8.09716 -169.772 -279.298 -99.9608 -376.563 134.934 PRESSAVG: 691400 -16.9487 -7.58838 2.49196 -7.58831 -7.37424 34.5859 2.49191 34.586 71.8852 GPRESSAVG: 691400 -16.8182 -7.59278 3.13218 -7.79995 -6.33828 36.7162 2.40978 34.3808 71.0946 TIMING: 691400 CPU: 2059.58, 0.00299355/step Wall: 2059.58, 0.00299355/step, 3.58279 hours remaining, 207.359375 MB of memory in use. ENERGY: 691400 725.2321 2113.9556 1952.8105 122.1945 -206805.9912 17878.4097 0.0000 0.0000 34016.5718 -149996.8171 297.0752 -184013.3888 -149899.1720 297.3000 -76.2211 -41.2556 556691.8213 15.8541 15.9794 PRESSURE: 691600 101.278 -116.275 127.797 -116.276 142.567 -202.768 127.796 -202.767 -156.779 GPRESSURE: 691600 109.44 -54.3805 135.69 -100.482 196.352 -92.663 228.442 -207.983 -123.548 PRESSAVG: 691600 -32.2733 -24.8755 31.8885 -24.8755 2.11302 22.5984 31.8884 22.5982 48.6637 GPRESSAVG: 691600 -31.8006 -28.1067 31.1059 -22.9779 1.08347 20.0054 33.9679 24.9508 49.7921 TIMING: 691600 CPU: 2060.19, 0.00301629/step Wall: 2060.19, 0.00301629/step, 3.60983 hours remaining, 207.359375 MB of memory in use. ENERGY: 691600 740.6601 2046.9642 1910.7242 120.4146 -207291.8274 18195.0740 0.0000 0.0000 34132.8520 -150145.1382 298.0907 -184277.9902 -150055.3631 296.6165 29.0220 60.7479 554492.1979 6.1678 6.3583 PRESSURE: 691800 215.476 -95.9424 67.8025 -95.9423 -151.171 -179.905 67.804 -179.903 -58.3387 GPRESSURE: 691800 237.088 -52.5811 104.362 -103.411 -154.611 -160.958 -27.7419 -181.902 14.5649 PRESSAVG: 691800 23.7061 18.643 30.7317 18.6429 -50.9267 -56.7475 30.7317 -56.7475 32.9342 GPRESSAVG: 691800 22.8953 20.5819 30.1537 16.3072 -49.6209 -56.3059 30.4064 -60.2408 32.2309 TIMING: 691800 CPU: 2060.79, 0.00301813/step Wall: 2060.79, 0.00301813/step, 3.61186 hours remaining, 207.562500 MB of memory in use. ENERGY: 691800 730.4409 2060.1559 1949.9027 113.3371 -206501.0872 17692.7831 0.0000 0.0000 33814.6757 -150139.7919 295.3120 -183954.4676 -150048.3659 296.3757 1.9889 32.3474 555767.3073 1.9045 1.8351 PRESSURE: 692000 171.28 -68.4516 33.742 -68.4504 76.266 179.756 33.7422 179.758 327.172 GPRESSURE: 692000 183.042 -19.5761 -71.3383 -36.8753 115.224 177.157 50.5252 114.569 382.769 PRESSAVG: 692000 11.2099 -61.2605 -17.504 -61.2605 -62.4346 -7.51169 -17.504 -7.51155 62.4592 GPRESSAVG: 692000 12.2409 -60.8871 -18.9569 -60.7799 -62.8882 -7.72363 -16.9411 -4.28109 61.9814 TIMING: 692000 CPU: 2061.39, 0.00301051/step Wall: 2061.39, 0.00301051/step, 3.60258 hours remaining, 207.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 692000 716.3044 2047.2497 1910.4867 109.2209 -207122.2162 18275.3284 0.0000 0.0000 33981.8775 -150081.7487 296.7722 -184063.6261 -149984.5817 296.4377 191.5728 227.0117 556459.1561 3.7448 3.7780 PRESSURE: 692200 -2.16371 -11.1806 -71.3291 -11.18 166.12 -79.5141 -71.3284 -79.5131 -39.993 GPRESSURE: 692200 -1.77314 15.0407 -6.96987 -101.968 192.581 -193.094 -104.591 -58.134 22.3507 PRESSAVG: 692200 71.2212 -60.8208 -38.4723 -60.8208 -66.7459 7.89164 -38.4723 7.89169 3.18666 GPRESSAVG: 692200 69.0493 -62.2568 -32.8883 -59.6208 -66.6902 8.94768 -39.7696 6.24812 5.28732 TIMING: 692200 CPU: 2061.99, 0.00300213/step Wall: 2061.99, 0.00300213/step, 3.59238 hours remaining, 207.562500 MB of memory in use. ENERGY: 692200 732.7839 2053.6143 1941.1010 114.1212 -206897.9866 17955.2378 0.0000 0.0000 33814.9967 -150286.1316 295.3148 -184101.1283 -150185.4253 296.4316 41.3212 71.0528 556028.3630 2.5540 2.5488 LDB: ============= START OF LOAD BALANCING ============== 2065.54 LDB: ============== END OF LOAD BALANCING =============== 2065.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2065.54 LDB: ============= START OF LOAD BALANCING ============== 2065.84 LDB: Largest compute 4795 load 0.025882 is 21.9% of average load 0.118099 LDB: Average compute 0.001733 is 1.5% of average load 0.118099 LDB: TIME 2065.84 LOAD: AVG 0.118099 MAX 0.209122 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.5 MB LDB: TIME 2065.85 LOAD: AVG 0.118099 MAX 0.209122 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.5 MB LDB: TIME 2065.85 LOAD: AVG 0.118099 MAX 0.209122 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.5 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2065.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2065.85 PRESSURE: 692400 214.052 15.6121 126.225 15.6125 143.248 -4.15827 126.224 -4.15877 119.314 GPRESSURE: 692400 245.804 -64.2593 133.692 93.9084 201.145 -53.8568 141.418 -8.25411 119.363 PRESSAVG: 692400 -12.3223 -34.915 26.3487 -34.915 39.1921 -17.2676 26.3487 -17.2675 -50.086 GPRESSAVG: 692400 -11.4817 -35.4745 22.92 -34.292 39.3049 -18.9907 26.2462 -15.58 -51.1167 TIMING: 692400 CPU: 2062.6, 0.00303997/step Wall: 2062.6, 0.00303997/step, 3.63749 hours remaining, 207.273438 MB of memory in use. ENERGY: 692400 756.7890 2067.6620 1942.3831 110.6401 -206740.1823 18094.3082 0.0000 0.0000 33660.7998 -150107.6001 293.9681 -183768.3999 -150009.3001 296.0549 158.8715 188.7706 556258.5838 -7.7387 -7.7645 PRESSURE: 692600 -35.9373 -158.6 16.6911 -158.6 49.5995 -18.6599 16.6907 -18.659 84.4483 GPRESSURE: 692600 39.6928 -132.145 -22.5828 -123.795 77.4364 -16.5285 2.68481 20.2553 92.2224 PRESSAVG: 692600 -13.0487 -37.1287 4.3993 -37.1287 18.1784 4.69359 4.3993 4.69356 27.0533 GPRESSAVG: 692600 -11.811 -33.5361 4.7988 -39.0193 18.0533 4.52117 5.65958 4.99982 26.2898 TIMING: 692600 CPU: 2063.2, 0.00298574/step Wall: 2063.2, 0.00298574/step, 3.57244 hours remaining, 207.273438 MB of memory in use. ENERGY: 692600 726.3715 2093.4383 1944.4958 106.7688 -207124.5302 18105.7191 0.0000 0.0000 34201.2206 -149946.5161 298.6878 -184147.7367 -149848.5322 296.8150 32.7035 69.7839 557589.4062 10.7277 10.8440 PRESSURE: 692800 133.04 31.3714 15.1983 31.3699 -17.7251 107.578 15.1968 107.58 129.52 GPRESSURE: 692800 161.676 10.2804 128.897 -57.712 0.579348 173.154 -66.266 40.5631 178.642 PRESSAVG: 692800 68.7168 -4.11761 -16.357 -4.11763 -66.008 21.1364 -16.3569 21.1365 -2.67604 GPRESSAVG: 692800 67.301 -3.88947 -17.1808 -6.87169 -65.7335 24.1994 -16.8954 18.4138 -2.32457 TIMING: 692800 CPU: 2063.8, 0.00299955/step Wall: 2063.8, 0.00299955/step, 3.5888 hours remaining, 207.273438 MB of memory in use. ENERGY: 692800 753.2432 2104.6736 1932.3703 111.3924 -207123.9096 18116.1539 0.0000 0.0000 34140.3165 -149965.7597 298.1559 -184106.0762 -149873.0398 296.7747 81.6116 113.6326 556877.1020 0.0109 -0.2523 PRESSURE: 693000 205.064 118.763 168.574 118.764 -409.051 83.4722 168.575 83.4706 181.825 GPRESSURE: 693000 204.732 90.266 148.912 157.311 -311.559 96.7707 157.05 73.463 173.603 PRESSAVG: 693000 30.6981 -32.9244 61.5393 -32.9245 -32.8031 -18.4974 61.5393 -18.4973 4.29519 GPRESSAVG: 693000 31.0034 -34.0797 62.7812 -30.4178 -31.6297 -19.8951 60.4998 -16.4447 3.14995 TIMING: 693000 CPU: 2064.39, 0.00297421/step Wall: 2064.39, 0.00297421/step, 3.55831 hours remaining, 207.273438 MB of memory in use. ENERGY: 693000 743.0640 2018.2452 1932.5331 110.8571 -206309.3341 17861.7096 0.0000 0.0000 33857.8008 -149785.1244 295.6886 -183642.9252 -149686.2574 297.1837 -7.3874 22.2586 559373.2257 0.7300 0.8412 PRESSURE: 693200 -323.739 67.6171 63.3409 67.6171 -49.5617 92.566 63.3401 92.5644 13.5325 GPRESSURE: 693200 -281.039 51.4998 98.53 1.81455 -40.7514 120.143 42.4014 148.652 70.1055 PRESSAVG: 693200 29.5053 9.63824 12.5081 9.6383 -70.4135 44.5907 12.5081 44.5906 19.8987 GPRESSAVG: 693200 29.2691 8.74751 12.7311 13.1775 -71.8404 46.3009 12.9602 43.2448 21.4683 TIMING: 693200 CPU: 2064.99, 0.00299065/step Wall: 2064.99, 0.00299065/step, 3.57782 hours remaining, 207.273438 MB of memory in use. ENERGY: 693200 746.4569 2044.9991 1943.9477 126.2198 -206409.4691 17786.1975 0.0000 0.0000 34158.2054 -149603.4428 298.3121 -183761.6482 -149510.1161 297.6768 -119.9229 -83.8950 558671.9693 -7.0032 -7.0343 PRESSURE: 693400 -25.6018 123.395 -70.0014 123.395 112.23 64.2635 -69.9996 64.2631 -93.3769 GPRESSURE: 693400 32.7729 83.4737 -82.8806 115.09 83.7186 138.284 -122.263 13.9226 -26.3518 PRESSAVG: 693400 31.9613 24.7788 40.5445 24.7788 -60.1861 7.40366 40.5445 7.40368 -7.04714 GPRESSAVG: 693400 30.8818 24.9295 38.0843 23.0535 -58.8501 4.59526 41.3895 7.61204 -7.87167 TIMING: 693400 CPU: 2065.6, 0.00303091/step Wall: 2065.6, 0.00303091/step, 3.62581 hours remaining, 207.273438 MB of memory in use. ENERGY: 693400 771.6839 2091.4948 1943.0221 105.1648 -206700.5026 18074.0367 0.0000 0.0000 34069.8192 -149645.2812 297.5402 -183715.1004 -149546.7120 298.0521 -2.2496 30.0466 558533.6695 -11.7573 -11.9466 PRESSURE: 693600 179.101 -14.0228 45.9393 -14.0239 242.525 -17.34 45.9398 -17.3405 235.893 GPRESSURE: 693600 203.464 40.0853 59.1501 -22.6608 271.152 -82.0299 -3.48715 15.5664 274.258 PRESSAVG: 693600 3.05784 28.7819 1.86848 28.7819 -32.3931 55.7517 1.86844 55.7518 31.9227 GPRESSAVG: 693600 3.8934 30.8574 3.75955 26.1292 -33.9337 57.0767 2.99947 55.7652 32.2483 TIMING: 693600 CPU: 2066.21, 0.00305838/step Wall: 2066.21, 0.00305838/step, 3.6585 hours remaining, 207.273438 MB of memory in use. ENERGY: 693600 756.1300 2121.1743 1925.6686 118.5660 -206963.4576 18234.0811 0.0000 0.0000 34245.5305 -149562.3070 299.0747 -183807.8375 -149461.5817 297.9976 219.1730 249.6245 556040.7984 0.8625 0.7360 PRESSURE: 693800 -188.561 -73.3194 -14.2022 -73.3179 -323.997 1.22137 -14.203 1.22199 -138.937 GPRESSURE: 693800 -135.411 -185.723 65.242 -13.1633 -338.276 42.5444 -55.2459 -26.2426 -74.4097 PRESSAVG: 693800 -21.5561 -0.00702196 38.4198 -0.00701589 11.1067 36.1333 38.4198 36.1331 -3.67402 GPRESSAVG: 693800 -21.2156 -1.6362 35.8642 1.81563 11.7191 35.2642 38.1901 37.3994 -3.43539 TIMING: 693800 CPU: 2066.8, 0.00294647/step Wall: 2066.8, 0.00294647/step, 3.52447 hours remaining, 207.273438 MB of memory in use. ENERGY: 693800 703.8050 2135.3916 1964.7036 115.6649 -206140.0142 17610.1553 0.0000 0.0000 34138.6321 -149471.6618 298.1412 -183610.2939 -149372.6329 299.3115 -217.1651 -182.6991 560889.7783 -4.7078 -4.3106 PRESSURE: 694000 204.824 110.767 -179.86 110.767 -59.6432 -16.2061 -179.859 -16.2066 182.569 GPRESSURE: 694000 202.923 106.554 -224.109 68.5474 14.3414 19.1849 -64.0083 -46.5928 218.06 PRESSAVG: 694000 73.8145 6.50659 -38.0537 6.50656 27.5617 -3.8913 -38.0538 -3.89141 -70.7806 GPRESSAVG: 694000 73.4924 7.91152 -35.3718 4.55316 28.4141 -4.01167 -39.5762 -4.6049 -71.3311 TIMING: 694000 CPU: 2067.39, 0.00295025/step Wall: 2067.39, 0.00295025/step, 3.52882 hours remaining, 207.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 694000 722.9985 2128.9170 1941.3731 110.0093 -206672.7585 18095.7374 0.0000 0.0000 34276.0264 -149397.6969 299.3411 -183673.7233 -149300.1020 298.5216 109.2499 145.1082 557526.1193 10.1985 10.1918 PRESSURE: 694200 -57.0796 -87.6065 -115.913 -87.6061 44.2915 -52.1117 -115.912 -52.1106 97.4184 GPRESSURE: 694200 21.461 -83.4321 -113.736 -111.772 47.6063 -35.6723 -160.942 -86.3523 105.363 PRESSAVG: 694200 16.2874 4.57123 -8.26754 4.57128 -39.9555 -22.734 -8.26762 -22.7341 5.87673 GPRESSAVG: 694200 16.8339 3.32037 -9.8365 7.16896 -40.3898 -23.2022 -7.28086 -23.5704 5.57733 TIMING: 694200 CPU: 2067.98, 0.00297059/step Wall: 2067.98, 0.00297059/step, 3.55299 hours remaining, 207.273438 MB of memory in use. ENERGY: 694200 739.0737 2107.1749 1943.7664 121.6729 -206183.5145 17872.1897 0.0000 0.0000 34136.5108 -149263.1262 298.1226 -183399.6370 -149171.8728 298.5157 28.2101 58.1433 558314.5481 -5.9305 -5.9928 PRESSURE: 694400 -95.4235 29.6726 45.3548 29.674 -110.78 72.3453 45.3539 72.3445 -250.683 GPRESSURE: 694400 -70.7002 42.2618 12.8043 85.0437 -68.4016 142.684 74.4614 147.025 -212.605 PRESSAVG: 694400 25.6164 12.3763 19.3886 12.3763 -49.3015 -24.9397 19.3887 -24.9397 5.52837 GPRESSAVG: 694400 25.1469 14.7609 19.8508 11.0247 -48.704 -25.1087 19.2452 -23.7719 5.40415 TIMING: 694400 CPU: 2068.58, 0.00299195/step Wall: 2068.58, 0.00299195/step, 3.57837 hours remaining, 207.273438 MB of memory in use. ENERGY: 694400 771.5620 2094.4416 1915.0703 122.2965 -206387.7264 17832.1673 0.0000 0.0000 34290.4306 -149361.7582 299.4669 -183652.1888 -149272.6744 298.8907 -152.2954 -117.2357 557163.9301 -6.0522 -6.0510 PRESSURE: 694600 346.262 -113.965 62.0472 -113.966 -32.0664 48.843 62.0466 48.8419 -28.3848 GPRESSURE: 694600 311.547 -142.458 66.4416 -55.1988 47.4821 28.9768 142.262 40.1344 32.9711 PRESSAVG: 694600 44.7295 -9.42877 8.44919 -9.42892 -90.1102 -15.9379 8.44928 -15.9378 29.7963 GPRESSAVG: 694600 44.8348 -10.5255 8.934 -12.0475 -90.6799 -14.2328 7.79832 -16.983 30.5579 TIMING: 694600 CPU: 2069.18, 0.00299315/step Wall: 2069.18, 0.00299315/step, 3.57964 hours remaining, 207.273438 MB of memory in use. ENERGY: 694600 712.0786 2092.9721 1936.0787 115.1174 -206240.0442 18012.3385 0.0000 0.0000 34114.2031 -149257.2559 297.9278 -183371.4589 -149157.0693 298.9885 95.2702 130.6666 558585.7187 -5.1948 -5.0958 PRESSURE: 694800 -137.809 -2.93148 -94.8443 -2.9312 -9.83934 -14.9545 -94.8444 -14.9538 -16.7323 GPRESSURE: 694800 -151.154 -26.5887 -53.002 50.2487 62.9988 -50.5179 -50.327 70.9544 31.214 PRESSAVG: 694800 -42.1875 -1.7275 -63.2292 -1.72757 56.2243 -28.3602 -63.2292 -28.3602 -15.1136 GPRESSAVG: 694800 -41.8237 -1.67253 -62.5846 -0.0270835 56.6741 -29.487 -63.2576 -28.5788 -15.2081 TIMING: 694800 CPU: 2069.78, 0.00301734/step Wall: 2069.78, 0.00301734/step, 3.60841 hours remaining, 207.273438 MB of memory in use. ENERGY: 694800 728.0805 2073.3274 1919.1651 114.2673 -206153.7007 17824.2724 0.0000 0.0000 34257.4079 -149237.1801 299.1785 -183494.5881 -149140.0307 299.5441 -54.7937 -18.9804 558749.3182 -0.3589 -0.1192 PRESSURE: 695000 -24.2739 50.0423 -77.1274 50.0425 -69.6579 23.1233 -77.1279 23.1229 -207.65 GPRESSURE: 695000 -60.8738 1.13046 -57.3296 27.7255 -15.0705 29.1669 -137.562 20.3371 -127.872 PRESSAVG: 695000 -14.5466 18.8206 -65.359 18.8206 41.5961 -28.9212 -65.359 -28.9213 3.34432 GPRESSAVG: 695000 -15.3347 18.0536 -67.0651 21.5502 42.1837 -29.6037 -63.7637 -27.2443 3.90883 TIMING: 695000 CPU: 2070.38, 0.00299195/step Wall: 2070.38, 0.00299195/step, 3.57787 hours remaining, 207.273438 MB of memory in use. ENERGY: 695000 717.8890 2080.4636 1963.0178 110.1487 -205780.2998 17423.7730 0.0000 0.0000 34416.1366 -149068.8711 300.5647 -183485.0077 -148964.1790 299.0904 -100.5272 -67.9388 557868.4253 10.1313 10.2526 PRESSURE: 695200 -186.792 -9.6919 -19.2989 -9.69145 -85.0446 -184.864 -19.2971 -184.864 -155.063 GPRESSURE: 695200 -114.479 -18.6848 44.9252 -76.2935 -29.7917 -225.309 -104.766 -131.802 -188.784 PRESSAVG: 695200 -69.7888 44.4582 -33.0671 44.4582 86.8127 -35.7476 -33.0671 -35.7477 -74.1771 GPRESSAVG: 695200 -69.349 44.9143 -33.2469 43.0901 86.5356 -36.7048 -34.2271 -35.0497 -74.3421 TIMING: 695200 CPU: 2070.98, 0.00297504/step Wall: 2070.98, 0.00297504/step, 3.55748 hours remaining, 207.273438 MB of memory in use. ENERGY: 695200 755.9859 2061.5170 1936.9971 113.9567 -205900.4604 17490.9954 0.0000 0.0000 34481.0703 -149059.9380 301.1318 -183541.0083 -148961.1531 299.7186 -142.2999 -111.0183 558106.6319 -19.0511 -19.0518 PRESSURE: 695400 -220.189 48.1144 -73.9523 48.1154 -179.558 -125.887 -73.9523 -125.887 -53.5139 GPRESSURE: 695400 -205.184 37.6398 -22.3727 -15.9399 -134.358 -143.562 -138.738 -124.563 -18.2217 PRESSAVG: 695400 30.2956 -5.32499 17.1176 -5.3249 32.4009 -57.408 17.1176 -57.4081 -2.47447 GPRESSAVG: 695400 30.6133 -4.32735 17.3812 -5.65475 31.5193 -55.5465 16.7868 -58.3844 -2.12181 TIMING: 695400 CPU: 2071.57, 0.00296173/step Wall: 2071.57, 0.00296173/step, 3.5414 hours remaining, 207.273438 MB of memory in use. ENERGY: 695400 780.2162 2127.7130 1941.2724 122.2599 -206160.6446 17672.9835 0.0000 0.0000 34525.6961 -148990.5035 301.5215 -183516.1996 -148895.2286 299.7816 -151.0868 -119.2548 558461.5536 20.0740 20.0036 PRESSURE: 695600 -181.926 38.6818 -166.75 38.6821 -119.943 121.015 -166.749 121.012 -297.721 GPRESSURE: 695600 -127.768 1.11765 -98.1932 33.1992 -105.657 93.0053 -116.151 109.347 -274.012 PRESSAVG: 695600 16.919 0.533552 12.8693 0.533605 28.2193 3.73523 12.8693 3.73527 -23.9293 GPRESSAVG: 695600 17.6299 0.00699313 13.3711 2.24694 27.6458 1.7237 12.9435 3.40533 -24.5006 TIMING: 695600 CPU: 2072.16, 0.00294797/step Wall: 2072.16, 0.00294797/step, 3.52479 hours remaining, 207.273438 MB of memory in use. ENERGY: 695600 740.2308 2098.1260 1941.9648 110.4416 -205555.3304 17488.3348 0.0000 0.0000 34383.3885 -148792.8440 300.2787 -183176.2324 -148690.6782 300.2015 -199.8633 -169.1456 558293.3890 7.0697 6.9250 PRESSURE: 695800 -43.0034 -101.902 -33.8397 -101.901 -221.968 17.7879 -33.8401 17.7876 -287.004 GPRESSURE: 695800 -15.1374 -81.4637 -22.6008 -91.9211 -204.758 -24.6334 -90.8296 26.5668 -242.355 PRESSAVG: 695800 32.5901 -28.3928 16.6346 -28.3927 -5.34036 46.8576 16.6347 46.8576 -30.0008 GPRESSAVG: 695800 31.9876 -26.563 15.993 -30.2196 -5.59241 47.8159 16.8167 46.8493 -28.7875 TIMING: 695800 CPU: 2072.75, 0.00296217/step Wall: 2072.75, 0.00296217/step, 3.54161 hours remaining, 207.273438 MB of memory in use. ENERGY: 695800 767.8356 2142.2337 1960.5848 118.8905 -205610.8250 17355.6313 0.0000 0.0000 34453.2957 -148812.3534 300.8892 -183265.6491 -148715.3053 300.9596 -183.9916 -154.0833 557732.5857 -0.9170 -0.7975 PRESSURE: 696000 -171.244 -128.381 203.54 -128.381 124.043 30.1549 203.54 30.1581 125.188 GPRESSURE: 696000 -179.817 -64.0514 169.187 -113.592 140.698 29.753 171.305 -43.1147 211.424 PRESSAVG: 696000 -21.3288 -46.96 8.90751 -46.96 -60.9191 -3.25153 8.90753 -3.2516 70.7333 GPRESSAVG: 696000 -21.547 -47.9659 7.42814 -45.0898 -60.3849 -2.82529 7.37912 -2.6391 70.2234 TIMING: 696000 CPU: 2073.35, 0.00298506/step Wall: 2073.35, 0.00298506/step, 3.5688 hours remaining, 207.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 696000 750.5882 2142.1795 1926.6295 120.2780 -206004.3824 17653.5054 0.0000 0.0000 34494.6484 -148916.5535 301.2503 -183411.2019 -148812.3784 300.6389 25.9959 57.4349 556712.2906 -3.8382 -3.9028 PRESSURE: 696200 -47.198 -57.589 -23.3258 -57.5891 -14.2052 16.4775 -23.3252 16.4776 -242.855 GPRESSURE: 696200 -41.6175 -81.1238 22.3164 -105.353 39.6045 14.8986 -68.5226 -8.25214 -195.584 PRESSAVG: 696200 -36.815 -8.63355 -31.3271 -8.63363 44.7293 11.3546 -31.3271 11.3546 -9.03769 GPRESSAVG: 696200 -38.1021 -9.49051 -27.3417 -9.16695 45.176 11.917 -32.077 8.8386 -8.51299 TIMING: 696200 CPU: 2073.94, 0.00296371/step Wall: 2073.94, 0.00296371/step, 3.54311 hours remaining, 207.273438 MB of memory in use. ENERGY: 696200 800.8254 2140.6555 1922.3303 113.2734 -206168.5869 17710.8659 0.0000 0.0000 34428.4114 -149052.2249 300.6719 -183480.6364 -148954.7873 300.1951 -101.4194 -65.8658 558973.2485 -0.3745 -0.4797 LDB: ============= START OF LOAD BALANCING ============== 2077.49 LDB: ============== END OF LOAD BALANCING =============== 2077.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2077.49 LDB: ============= START OF LOAD BALANCING ============== 2077.79 LDB: Largest compute 4773 load 0.026715 is 22.6% of average load 0.118074 LDB: Average compute 0.001740 is 1.5% of average load 0.118074 LDB: TIME 2077.79 LOAD: AVG 0.118074 MAX 0.206005 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.469 MB LDB: TIME 2077.79 LOAD: AVG 0.118074 MAX 0.206005 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.469 MB LDB: TIME 2077.79 LOAD: AVG 0.118074 MAX 0.206005 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.469 MB LDB: ============== END OF LOAD BALANCING =============== 2077.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2077.8 PRESSURE: 696400 117.789 -19.345 78.4846 -19.3438 -20.2222 -145.695 78.4855 -145.695 10.6691 GPRESSURE: 696400 118.686 5.40351 95.6083 -0.187889 45.2188 -124.383 69.8761 -137.511 45.4614 PRESSAVG: 696400 -55.7153 -13.1164 -20.6299 -13.1165 -40.7289 -65.9069 -20.6298 -65.9068 69.8736 GPRESSAVG: 696400 -55.7844 -13.0659 -24.1046 -13.4646 -42.0395 -66.5244 -17.3378 -62.8654 71.1173 TIMING: 696400 CPU: 2074.55, 0.00303273/step Wall: 2074.55, 0.00303273/step, 3.62546 hours remaining, 206.761719 MB of memory in use. ENERGY: 696400 764.9596 2107.3251 1916.8337 116.2819 -206422.4288 17932.4207 0.0000 0.0000 34258.0725 -149326.5352 299.1843 -183584.6077 -149234.2609 299.3862 36.0785 69.7888 556089.6746 -8.8569 -8.9022 PRESSURE: 696600 -273.377 23.105 187.192 23.104 -268.879 30.073 187.193 30.0722 -289.894 GPRESSURE: 696600 -251.731 -4.82324 196.8 -54.8791 -229.9 42.3152 189.05 30.2474 -258.442 PRESSAVG: 696600 41.3182 12.65 -40.9015 12.6501 -6.1283 5.75535 -40.9014 5.75519 -21.4679 GPRESSAVG: 696600 41.707 14.3153 -39.1798 11.7402 -4.60947 4.98812 -42.3575 4.28375 -23.3792 TIMING: 696600 CPU: 2075.14, 0.00297884/step Wall: 2075.14, 0.00297884/step, 3.56087 hours remaining, 206.761719 MB of memory in use. ENERGY: 696600 769.1370 2079.9186 1934.9091 115.2335 -206064.6528 17471.5048 0.0000 0.0000 34234.0438 -149459.9060 298.9744 -183693.9498 -149353.6332 298.6844 -277.3831 -246.6908 557882.6853 4.5740 4.5727 PRESSURE: 696800 255.083 -83.5675 -26.3787 -83.5669 -11.8612 -106.333 -26.3765 -106.334 196.182 GPRESSURE: 696800 283.348 -87.6778 86.1616 -82.9361 21.828 -88.1864 -82.4139 -74.6993 231.44 PRESSAVG: 696800 37.5499 60.7507 10.3411 60.7507 -67.8606 -41.0049 10.3412 -41.005 11.3273 GPRESSAVG: 696800 38.3905 61.4833 11.5781 60.8257 -68.191 -37.3769 9.93474 -40.1524 10.5775 TIMING: 696800 CPU: 2075.74, 0.00297179/step Wall: 2075.74, 0.00297179/step, 3.55227 hours remaining, 206.761719 MB of memory in use. ENERGY: 696800 757.2086 2111.6799 1929.8147 106.3368 -206116.0693 17761.6214 0.0000 0.0000 34109.6094 -149339.7985 297.8877 -183449.4079 -149245.1160 298.5419 146.4679 178.8719 556648.4073 -6.3278 -6.4077 PRESSURE: 697000 -246.728 -17.4266 36.8611 -17.4244 -405.473 45.6097 36.8605 45.6099 -209.752 GPRESSURE: 697000 -228.797 -91.466 5.60859 -78.0459 -385.272 -34.3454 47.8312 94.6778 -136.528 PRESSAVG: 697000 33.2535 21.8446 -10.1114 21.8446 -54.8479 5.57635 -10.1113 5.57636 37.0678 GPRESSAVG: 697000 32.4571 21.4609 -9.67662 22.1775 -55.6501 5.90931 -10.899 4.4045 39.0256 TIMING: 697000 CPU: 2076.33, 0.00295355/step Wall: 2076.33, 0.00295355/step, 3.53031 hours remaining, 206.761719 MB of memory in use. ENERGY: 697000 785.9139 2055.5296 1952.0016 119.7444 -205634.2825 17394.0424 0.0000 0.0000 34011.6155 -149315.4350 297.0319 -183327.0505 -149219.3216 298.5834 -287.3177 -250.1988 559336.6398 5.1578 5.2775 PRESSURE: 697200 -79.9345 54.1532 155.85 54.1528 -279.405 -172.172 155.849 -172.172 -165.937 GPRESSURE: 697200 -47.9744 107.154 164.217 29.6517 -236.574 -179.733 116.471 -201.591 -141.006 PRESSAVG: 697200 18.8118 -0.251993 31.4138 -0.25207 -14.1393 2.04214 31.4138 2.04207 6.5171 GPRESSAVG: 697200 19.0466 -0.74387 30.3579 -1.44138 -14.2861 -2.468 33.0621 3.92579 6.28823 TIMING: 697200 CPU: 2076.92, 0.00296659/step Wall: 2076.92, 0.00296659/step, 3.54574 hours remaining, 206.761719 MB of memory in use. ENERGY: 697200 725.3825 2112.1289 1941.3580 118.3694 -206127.5570 17659.6104 0.0000 0.0000 34303.3576 -149267.3502 299.5798 -183570.7078 -149162.6990 299.8603 -175.0923 -141.8514 557548.3960 3.7299 3.6829 PRESSURE: 697400 -355.975 47.1241 44.0638 47.1241 -277.928 -25.6416 44.063 -25.6429 73.5206 GPRESSURE: 697400 -272.834 31.045 49.5717 36.401 -254.406 -99.8971 60.2564 66.5029 54.1235 PRESSAVG: 697400 4.30436 55.7093 -24.2073 55.7093 -33.3685 -9.67506 -24.2074 -9.67504 60.9108 GPRESSAVG: 697400 3.58318 56.2275 -23.5587 56.8879 -34.2703 -9.39974 -24.5494 -10.1809 62.3714 TIMING: 697400 CPU: 2077.52, 0.00299082/step Wall: 2077.52, 0.00299082/step, 3.57453 hours remaining, 206.761719 MB of memory in use. ENERGY: 697400 762.3884 2124.9053 1912.0025 113.5075 -206286.7663 17667.5758 0.0000 0.0000 34368.7259 -149337.6609 300.1506 -183706.3868 -149237.6842 299.6732 -186.7943 -157.7053 556724.4116 10.6156 10.5614 PRESSURE: 697600 -34.5333 -76.6117 -47.5643 -76.6133 -305.441 69.6342 -47.5648 69.6345 24.2476 GPRESSURE: 697600 8.26607 -82.0533 -20.9111 -72.2636 -232.719 88.663 -52.0874 25.9237 0.335796 PRESSAVG: 697600 57.6585 -5.38872 -30.0127 -5.38878 -11.0436 -53.1169 -30.0127 -53.1169 6.26616 GPRESSAVG: 697600 58.3296 -6.49916 -32.4355 -4.86366 -10.4975 -50.3917 -30.2394 -55.4043 4.60836 TIMING: 697600 CPU: 2078.11, 0.00297068/step Wall: 2078.11, 0.00297068/step, 3.5503 hours remaining, 206.761719 MB of memory in use. ENERGY: 697600 746.9083 2117.6451 1932.5089 120.9321 -206241.6096 17679.8320 0.0000 0.0000 34155.1536 -149488.6295 298.2855 -183643.7832 -149391.6782 298.6094 -105.2423 -74.7056 556432.6187 17.6270 17.4802 PRESSURE: 697800 -163.181 -16.3304 -23.5244 -16.3303 50.5344 43.293 -23.5238 43.2917 -157.942 GPRESSURE: 697800 -135.333 -36.9636 14.399 11.7328 60.2674 30.8792 -83.024 28.3985 -103.689 PRESSAVG: 697800 11.5796 51.7473 -15.2375 51.7472 -3.11994 -63.3611 -15.2375 -63.3611 -14.6049 GPRESSAVG: 697800 11.4657 51.5156 -14.5577 52.7419 -1.67821 -66.0573 -15.8009 -60.1004 -15.978 TIMING: 697800 CPU: 2078.71, 0.00297416/step Wall: 2078.71, 0.00297416/step, 3.55429 hours remaining, 206.761719 MB of memory in use. ENERGY: 697800 718.5575 2162.2875 1948.9113 132.7707 -206535.4337 17847.6528 0.0000 0.0000 34160.8693 -149564.3846 298.3354 -183725.2539 -149461.9285 298.4682 -90.1963 -59.5851 558735.9458 -2.0484 -2.0635 PRESSURE: 698000 -135.158 -162.692 41.4971 -162.692 108.309 -112.964 41.4982 -112.966 113.405 GPRESSURE: 698000 -101.564 -145.261 -17.629 -146.36 149.364 -208.327 22.3614 -49.4806 127.292 PRESSAVG: 698000 -32.6145 -38.4557 -31.5315 -38.4558 59.3689 -21.3201 -31.5316 -21.3201 -12.0795 GPRESSAVG: 698000 -32.7483 -38.8433 -29.0359 -39.2234 59.1721 -19.5974 -30.9857 -23.1735 -12.0693 TIMING: 698000 CPU: 2079.31, 0.00298339/step Wall: 2079.31, 0.00298339/step, 3.56515 hours remaining, 206.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 698000 755.1131 2156.8718 1916.2815 112.3421 -206667.6200 17963.6159 0.0000 0.0000 34091.3352 -149672.0605 297.7281 -183763.3957 -149580.2431 298.3430 28.8518 58.3637 557491.3949 4.8916 4.7848 PRESSURE: 698200 -297.272 62.5553 -167.28 62.5562 -102.036 -77.5591 -167.279 -77.5601 -146.866 GPRESSURE: 698200 -297.96 45.1465 -173.543 102.015 -29.3299 -59.503 -128.362 -8.73805 -120.902 PRESSAVG: 698200 1.34984 13.5267 -28.1765 13.5267 -21.9502 -31.3748 -28.1764 -31.3749 32.8096 GPRESSAVG: 698200 0.81336 14.8861 -29.662 10.1715 -23.099 -31.5262 -28.7072 -29.4645 33.7979 TIMING: 698200 CPU: 2079.9, 0.00297498/step Wall: 2079.9, 0.00297498/step, 3.55494 hours remaining, 206.761719 MB of memory in use. ENERGY: 698200 738.1118 2151.6371 1930.3315 116.3809 -206071.1598 17504.4533 0.0000 0.0000 33847.3377 -149782.9076 295.5972 -183630.2453 -149686.3003 298.1160 -182.0577 -149.3970 557240.7717 4.0697 3.8374 PRESSURE: 698400 -15.2497 66.2624 -67.3359 66.2616 130.56 76.0475 -67.335 76.0475 -195.869 GPRESSURE: 698400 -15.6093 181.112 -59.6337 51.0541 179.558 68.837 -38.9682 70.6077 -140.22 PRESSAVG: 698400 -55.2985 31.7487 -20.2019 31.7487 74.3923 -5.86117 -20.2019 -5.86122 -22.4562 GPRESSAVG: 698400 -55.0101 32.2686 -22.2954 34.9141 74.2868 -6.89168 -18.5575 -6.37831 -23.317 TIMING: 698400 CPU: 2080.51, 0.00305717/step Wall: 2080.51, 0.00305717/step, 3.65298 hours remaining, 206.761719 MB of memory in use. ENERGY: 698400 759.5920 2054.8471 1936.5101 113.6162 -206267.5097 17731.4044 0.0000 0.0000 34091.8255 -149579.7143 297.7324 -183671.5398 -149483.0158 297.0682 -26.8528 7.9098 556268.4136 -1.1208 -1.3468 PRESSURE: 698600 -252.662 -64.3865 89.4923 -64.3854 113.951 145.517 89.4927 145.516 136.685 GPRESSURE: 698600 -179.975 3.50445 140.264 -99.2227 161.624 123.791 33.2516 69.9405 107.979 PRESSAVG: 698600 -28.5798 -5.36503 27.1723 -5.36501 37.6279 -7.69029 27.1722 -7.69019 -8.86138 GPRESSAVG: 698600 -29.2511 -5.55828 29.2466 -5.16536 38.2818 -8.23474 26.9382 -8.2525 -9.1228 TIMING: 698600 CPU: 2081.12, 0.00305872/step Wall: 2081.12, 0.00305872/step, 3.65467 hours remaining, 206.761719 MB of memory in use. ENERGY: 698600 770.3439 2060.0725 1964.0385 108.4837 -206397.1807 17724.8113 0.0000 0.0000 34138.7314 -149630.6993 298.1420 -183769.4307 -149539.6303 298.3755 -0.6756 29.8758 555725.7931 0.0622 -0.0307 PRESSURE: 698800 -253.815 -242.785 34.9821 -242.785 -145.738 -219.478 34.9831 -219.477 -8.72101 GPRESSURE: 698800 -221.295 -265.144 45.1672 -204.84 -78.2627 -127.903 -33.2497 -244.722 -4.91569 PRESSAVG: 698800 -46.1701 -83.6328 -26.7276 -83.6329 11.1578 -3.35686 -26.7276 -3.35682 31.7478 GPRESSAVG: 698800 -46.8908 -86.095 -26.8269 -84.0314 11.0745 -2.9229 -27.406 -3.20674 32.4054 TIMING: 698800 CPU: 2081.72, 0.0029906/step Wall: 2081.72, 0.0029906/step, 3.5731 hours remaining, 206.761719 MB of memory in use. ENERGY: 698800 762.0895 2081.0300 1936.7160 107.8463 -206133.4223 17578.7120 0.0000 0.0000 34141.8849 -149525.1435 298.1696 -183667.0285 -149422.0708 298.6676 -136.0911 -101.4912 556686.3697 -1.0882 -1.1370 PRESSURE: 699000 -45.6779 -124.713 141.912 -124.712 -126.637 74.8605 141.912 74.8612 -314.152 GPRESSURE: 699000 0.246889 -16.8538 129.662 -139.376 -158.142 41.5331 82.4851 135.339 -232.464 PRESSAVG: 699000 13.828 -7.15132 -28.5428 -7.1513 14.857 21.4833 -28.543 21.4833 -23.5065 GPRESSAVG: 699000 14.7376 -5.00995 -28.9943 -8.46028 15.7151 21.2989 -27.4599 21.9506 -24.2637 TIMING: 699000 CPU: 2082.32, 0.0029784/step Wall: 2082.32, 0.0029784/step, 3.55836 hours remaining, 206.761719 MB of memory in use. ENERGY: 699000 757.7625 2125.3892 1925.5563 112.6865 -206069.4412 17614.1094 0.0000 0.0000 34221.0996 -149312.8377 298.8614 -183533.9374 -149220.9531 298.8923 -162.1556 -130.1198 557651.4812 1.7262 2.0630 PRESSURE: 699200 -399.563 58.3174 2.63541 58.318 -130.888 79.2158 2.63484 79.2164 -213.639 GPRESSURE: 699200 -358.954 97.6056 -13.571 42.4168 -99.9725 167.78 32.8834 3.5219 -175.822 PRESSAVG: 699200 -35.5886 -12.4359 14.8932 -12.4359 13.201 -4.07116 14.8932 -4.07125 4.25285 GPRESSAVG: 699200 -36.3408 -13.5373 12.6209 -11.1276 13.0251 -3.91468 16.3935 -5.14451 5.83067 TIMING: 699200 CPU: 2082.91, 0.00295963/step Wall: 2082.91, 0.00295963/step, 3.53577 hours remaining, 206.761719 MB of memory in use. ENERGY: 699200 761.4176 2089.3495 1925.8870 110.7386 -205746.6025 17397.3761 0.0000 0.0000 34292.7013 -149169.1324 299.4867 -183461.8337 -149071.3662 299.6007 -248.0300 -211.5828 557927.2438 -6.0449 -5.8284 PRESSURE: 699400 -246.478 231.48 47.6683 231.48 -400.638 -37.9571 47.6688 -37.9553 -134.559 GPRESSURE: 699400 -175.712 283.985 10.7576 176.755 -338.722 -79.6466 94.7435 -29.1521 -162.177 PRESSAVG: 699400 28.7445 23.426 54.494 23.4262 -19.3697 -42.1359 54.494 -42.136 16.8616 GPRESSAVG: 699400 28.8828 22.4561 56.4003 22.9711 -18.338 -43.6992 51.6923 -41.3561 16.1423 TIMING: 699400 CPU: 2083.5, 0.00297794/step Wall: 2083.5, 0.00297794/step, 3.55748 hours remaining, 206.761719 MB of memory in use. ENERGY: 699400 775.1937 2139.8028 1920.7815 113.9465 -205892.1441 17526.2200 0.0000 0.0000 34137.6742 -149278.5254 298.1328 -183416.1996 -149184.9457 299.3787 -260.5585 -225.5370 558739.6046 8.7455 8.8957 PRESSURE: 699600 -205.137 87.8114 -44.5659 87.8119 -327.224 -83.8098 -44.5648 -83.8118 -76.9298 GPRESSURE: 699600 -153.428 73.0443 5.51701 90.7801 -303.236 -103.73 -6.77186 -92.7645 -70.1797 PRESSAVG: 699600 -61.8639 83.4028 26.203 83.4028 -30.399 -94.7621 26.203 -94.762 45.8886 GPRESSAVG: 699600 -61.2703 84.5851 25.8888 84.9625 -30.594 -94.5302 26.9359 -94.7559 46.055 TIMING: 699600 CPU: 2084.1, 0.00298231/step Wall: 2084.1, 0.00298231/step, 3.56254 hours remaining, 206.761719 MB of memory in use. ENERGY: 699600 751.1237 2129.4174 1900.1222 100.9507 -206023.4231 17618.5979 0.0000 0.0000 34301.9263 -149221.2848 299.5673 -183523.2112 -149127.0853 298.6422 -203.0971 -175.6148 558476.8894 -15.4581 -15.2698 PRESSURE: 699800 78.487 -133.242 -95.8602 -133.243 279.475 -61.0097 -95.8596 -61.0098 133.138 GPRESSURE: 699800 85.1119 -118.385 13.4386 -94.1952 377.307 -46.3596 -183.606 -25.7964 135.444 PRESSAVG: 699800 27.004 39.9079 40.8704 39.9079 5.21528 -12.0848 40.8703 -12.0847 -22.3414 GPRESSAVG: 699800 27.6223 41.4596 40.7153 36.4809 4.45588 -10.8923 41.6076 -12.2156 -21.6853 TIMING: 699800 CPU: 2084.7, 0.00299141/step Wall: 2084.7, 0.00299141/step, 3.57324 hours remaining, 206.761719 MB of memory in use. ENERGY: 699800 731.7480 2115.2036 1916.6412 120.7459 -206460.6824 18003.6568 0.0000 0.0000 34435.4290 -149137.2579 300.7332 -183572.6869 -149031.8615 299.8310 163.6999 199.2878 556865.2957 3.2926 3.4643 PRESSURE: 700000 3.34868 -133.058 -64.7437 -133.059 -184.969 0.758405 -64.7438 0.760222 -95.6629 GPRESSURE: 700000 25.0417 -135.977 -14.4637 -119.75 -118.978 64.5926 -164.02 -58.5851 -87.8122 PRESSAVG: 700000 -38.7556 -12.7069 -11.3662 -12.707 -45.8375 -15.6714 -11.3663 -15.6714 136.514 GPRESSAVG: 700000 -39.2905 -13.3208 -12.046 -13.114 -45.6107 -14.7236 -10.5476 -17.576 137.639 TIMING: 700000 CPU: 2085.3, 0.00298489/step Wall: 2085.3, 0.00298489/step, 3.56528 hours remaining, 206.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 700000 738.6161 2158.4457 1914.5417 114.2934 -205638.1196 17534.3011 0.0000 0.0000 34024.5798 -149153.3416 297.1451 -183177.9214 -149058.7322 298.4481 -92.4277 -60.5829 558011.4346 17.3068 17.5793 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 700000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 700000 WRITING COORDINATES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART COORDINATES The last position output (seq=700000) takes 0.008 seconds, 206.762 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 700200 -79.9179 -41.9758 -53.446 -41.9762 -38.6971 82.1045 -53.4463 82.1054 -243.5 GPRESSURE: 700200 -50.2168 3.9734 -23.278 -63.0801 -16.4145 58.4198 -98.1939 102.939 -207.882 PRESSAVG: 700200 33.8735 -35.6288 38.2823 -35.6289 -48.498 -19.51 38.2822 -19.5098 29.4293 GPRESSAVG: 700200 34.2903 -34.4056 39.4099 -33.8227 -49.0035 -18.888 37.657 -17.8726 29.6603 TIMING: 700200 CPU: 2085.91, 0.00305157/step Wall: 2085.91, 0.00305158/step, 3.64477 hours remaining, 206.761719 MB of memory in use. ENERGY: 700200 779.3747 2067.2999 1896.6590 115.6745 -205917.4339 17740.5007 0.0000 0.0000 34059.3940 -149258.5310 297.4492 -183317.9250 -149163.9093 299.3271 -120.7050 -91.5046 558289.1456 4.9349 4.9824 LDB: ============= START OF LOAD BALANCING ============== 2089.46 LDB: ============== END OF LOAD BALANCING =============== 2089.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2089.46 LDB: ============= START OF LOAD BALANCING ============== 2089.76 LDB: Largest compute 4773 load 0.027513 is 23.3% of average load 0.118180 LDB: Average compute 0.001739 is 1.5% of average load 0.118180 LDB: TIME 2089.76 LOAD: AVG 0.11818 MAX 0.207718 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.699 MB LDB: TIME 2089.76 LOAD: AVG 0.11818 MAX 0.207718 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.902 MB LDB: TIME 2089.76 LOAD: AVG 0.11818 MAX 0.207718 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2089.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2089.77 PRESSURE: 700400 11.4855 -22.0245 -138.583 -22.0239 -138.135 -56.5503 -138.581 -56.5508 63.3528 GPRESSURE: 700400 46.8368 -3.14811 -122.739 -94.928 -134.091 52.5702 -189.141 -46.0934 129.466 PRESSAVG: 700400 -55.9208 6.90481 8.64069 6.90477 -19.1927 -30.0657 8.64072 -30.0657 -0.994981 GPRESSAVG: 700400 -55.6378 4.2132 10.5493 9.63047 -18.956 -30.336 9.30255 -29.2239 -1.57489 TIMING: 700400 CPU: 2086.52, 0.00304439/step Wall: 2086.52, 0.00304439/step, 3.63602 hours remaining, 207.210938 MB of memory in use. ENERGY: 700400 734.3836 2128.9035 1922.9407 119.8453 -206327.8826 17960.7259 0.0000 0.0000 34244.9333 -149216.1504 299.0695 -183461.0837 -149122.5365 299.2168 -21.0991 14.0705 557997.6373 -25.3695 -25.3896 PRESSURE: 700600 -0.995119 67.8054 -76.806 67.8051 -2.32403 -79.321 -76.8053 -79.3219 340.205 GPRESSURE: 700600 53.6943 122.189 -69.3756 64.8534 -4.97591 -59.1789 -102.963 -200.351 389.664 PRESSAVG: 700600 -38.6886 -23.7057 8.12044 -23.7056 -4.8539 46.7439 8.12044 46.7439 78.3056 GPRESSAVG: 700600 -39.9363 -24.7305 5.41866 -23.5685 -4.46862 46.5509 7.41664 45.0263 79.2211 TIMING: 700600 CPU: 2087.11, 0.00297991/step Wall: 2087.11, 0.00297991/step, 3.55884 hours remaining, 207.414062 MB of memory in use. ENERGY: 700600 715.1588 2141.1073 1903.4353 129.8472 -206081.2843 17782.5716 0.0000 0.0000 34168.3530 -149240.8110 298.4007 -183409.1641 -149145.3323 298.9486 112.2954 146.1274 555665.3317 11.5877 11.6054 PRESSURE: 700800 -36.3274 110.809 -23.4306 110.811 113.47 154.051 -23.4299 154.052 -159.707 GPRESSURE: 700800 22.4122 102.642 -1.23915 81.6985 143.408 155.051 22.4882 123.725 -153.393 PRESSAVG: 700800 30.3627 51.5355 -46.1605 51.5356 -7.27488 -5.58715 -46.1605 -5.58716 -9.72831 GPRESSAVG: 700800 31.7523 54.1448 -45.5597 49.4885 -7.54468 -5.72759 -44.4347 -4.16373 -11.0003 TIMING: 700800 CPU: 2087.71, 0.00296822/step Wall: 2087.71, 0.00296822/step, 3.54471 hours remaining, 207.414062 MB of memory in use. ENERGY: 700800 758.8003 2105.8081 1932.6256 113.1116 -205944.5433 17667.7529 0.0000 0.0000 34246.1129 -149120.3318 299.0798 -183366.4448 -149025.1344 299.4975 -27.5214 4.1426 556339.6179 4.4532 4.4025 PRESSURE: 701000 -141.326 -30.3112 -102.197 -30.3112 150.673 -153.973 -102.198 -153.973 -34.7184 GPRESSURE: 701000 -98.772 -50.9542 -139.173 -4.90216 210.509 -176.443 -91.3851 -161.822 -35.1401 PRESSAVG: 701000 -0.454087 7.95841 -25.7565 7.95845 18.494 1.29043 -25.7565 1.29049 -15.5309 GPRESSAVG: 701000 -1.11215 7.05415 -25.8588 8.4167 18.8536 1.04535 -27.8652 0.666419 -15.2211 TIMING: 701000 CPU: 2088.3, 0.00295957/step Wall: 2088.3, 0.00295957/step, 3.53422 hours remaining, 207.414062 MB of memory in use. ENERGY: 701000 715.0142 2059.1259 1916.9520 111.3183 -206112.8398 17756.5197 0.0000 0.0000 34394.2085 -149159.7012 300.3732 -183553.9097 -149055.7148 299.6070 -8.4571 25.5324 557646.1440 0.8363 0.8401 PRESSURE: 701200 -53.6039 -34.4289 -215.684 -34.4267 -54.7621 6.27306 -215.682 6.27278 -248.276 GPRESSURE: 701200 12.5551 -98.7673 -126.292 -29.6863 -43.3421 28.3969 -270.409 14.3433 -225.674 PRESSAVG: 701200 50.5216 8.7497 21.578 8.74967 -9.65942 23.1265 21.578 23.1265 -75.925 GPRESSAVG: 701200 51.0108 9.14961 21.1385 7.00714 -10.0297 22.4665 22.3628 24.8513 -75.6062 TIMING: 701200 CPU: 2088.89, 0.00297547/step Wall: 2088.89, 0.00297547/step, 3.55304 hours remaining, 207.414062 MB of memory in use. ENERGY: 701200 695.8769 2052.7393 1918.2739 108.9783 -205844.3021 17590.0565 0.0000 0.0000 34259.5060 -149218.8712 299.1968 -183478.3772 -149119.8555 299.1837 -118.8807 -85.4871 559119.2080 -11.6876 -11.5417 PRESSURE: 701400 175.226 91.5332 60.3367 91.5328 -90.1456 142.702 60.3362 142.702 -35.4409 GPRESSURE: 701400 209.021 89.719 78.2294 127.865 -53.8336 141.901 61.0684 127.421 -3.03504 PRESSAVG: 701400 28.9195 -3.58234 47.2069 -3.5823 -28.242 57.5315 47.2069 57.5316 -17.1243 GPRESSAVG: 701400 28.4098 -3.866 47.9785 -2.00935 -27.2891 58.9551 47.8776 54.7673 -17.3425 TIMING: 701400 CPU: 2089.49, 0.00299041/step Wall: 2089.49, 0.00299041/step, 3.57071 hours remaining, 207.414062 MB of memory in use. ENERGY: 701400 698.9710 2155.9508 1956.8113 106.5010 -206138.7795 17771.5587 0.0000 0.0000 34312.9231 -149136.0636 299.6633 -183448.9866 -149030.6053 298.9947 16.5465 50.7174 558112.4111 -5.4823 -5.4072 PRESSURE: 701600 -149.787 -92.8676 -92.4181 -92.8682 34.5529 105.835 -92.4175 105.835 -267.706 GPRESSURE: 701600 -143.615 -146.652 -142.608 -102.806 101.151 -3.72849 -21.6773 158.887 -247.36 PRESSAVG: 701600 41.0968 40.4508 -7.0792 40.4508 33.6405 23.7878 -7.0792 23.7878 -35.051 GPRESSAVG: 701600 40.7514 40.3564 -8.72496 38.6706 34.1241 22.1001 -8.57887 24.5523 -35.2096 TIMING: 701600 CPU: 2090.09, 0.00301269/step Wall: 2090.09, 0.00301269/step, 3.59716 hours remaining, 207.414062 MB of memory in use. ENERGY: 701600 699.9130 2114.0373 1946.1162 109.2675 -205470.4184 17593.9460 0.0000 0.0000 34178.3655 -148828.7728 298.4882 -183007.1383 -148741.7885 299.9445 -127.6466 -96.6078 560327.5636 13.2288 13.2219 PRESSURE: 701800 -259.667 149.363 75.4054 149.363 -77.7122 73.3642 75.4053 73.366 -26.9817 GPRESSURE: 701800 -188.618 176.607 79.7407 56.7246 -72.2747 139.663 -17.2142 33.9693 -14.0816 PRESSAVG: 701800 -26.3344 -15.2593 20.5123 -15.2593 7.02844 37.7349 20.5124 37.735 -39.3277 GPRESSAVG: 701800 -25.9337 -15.6521 21.0907 -13.6997 5.80125 37.6948 20.9074 39.3063 -38.8862 TIMING: 701800 CPU: 2090.7, 0.0030187/step Wall: 2090.7, 0.0030187/step, 3.60416 hours remaining, 207.414062 MB of memory in use. ENERGY: 701800 714.1946 2045.8164 1931.1219 105.4159 -205477.8339 17397.0893 0.0000 0.0000 34355.9919 -148928.2039 300.0394 -183284.1958 -148828.1344 299.1936 -121.4538 -91.6579 558866.6225 -19.5446 -19.6729 PRESSURE: 702000 13.7283 -36.0516 -87.067 -36.0505 -276.286 184.828 -87.0668 184.829 -198.526 GPRESSURE: 702000 47.5075 -19.207 -58.0077 -3.12207 -175.76 209.552 -124.291 111.711 -231.022 PRESSAVG: 702000 24.6263 9.26996 16.0188 9.26999 67.415 30.2541 16.0188 30.2541 5.09829 GPRESSAVG: 702000 25.2841 11.6523 17.8235 8.95228 67.3322 32.0398 16.8484 28.3035 4.14221 TIMING: 702000 CPU: 2091.3, 0.00301916/step Wall: 2091.3, 0.00301916/step, 3.60455 hours remaining, 207.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 702000 752.6275 2065.9533 1900.5854 120.2030 -205854.8344 17654.8590 0.0000 0.0000 34186.3069 -149174.2994 298.5575 -183360.6063 -149081.9302 298.8414 -153.6947 -119.7582 558617.1029 32.3798 32.2528 PRESSURE: 702200 -195.151 16.9544 -116.165 16.9541 -170.103 -218.62 -116.166 -218.62 -92.2096 GPRESSURE: 702200 -171.511 -2.05959 -122.655 -12.4814 -208.769 -202.738 -95.6091 -170.296 33.04 PRESSAVG: 702200 27.5129 22.4082 36.8295 22.4083 17.2982 -45.5535 36.8296 -45.5535 -39.6125 GPRESSAVG: 702200 26.1757 20.3427 35.9024 23.9427 17.7395 -46.1019 36.5301 -45.9166 -38.496 TIMING: 702200 CPU: 2091.91, 0.0030231/step Wall: 2091.91, 0.0030231/step, 3.60908 hours remaining, 207.414062 MB of memory in use. ENERGY: 702200 708.9561 2113.8446 1902.0300 115.0694 -205721.6215 17466.0929 0.0000 0.0000 34067.3887 -149348.2399 297.5190 -183415.6286 -149250.2375 299.2831 -152.4879 -115.7465 559493.6385 1.7329 1.8064 PRESSURE: 702400 152.458 -28.8118 -38.9862 -28.8123 95.2852 -223.576 -38.9843 -223.579 -24.5536 GPRESSURE: 702400 152.26 -52.9322 -29.6832 13.4204 188.105 -215.123 -39.9518 -160.929 -29.2762 PRESSAVG: 702400 -5.69843 19.6975 -14.3093 19.6975 -10.9512 -11.4767 -14.3092 -11.4768 -18.5743 GPRESSAVG: 702400 -5.00348 20.5986 -13.6312 15.5248 -11.1547 -11.5876 -15.9067 -11.1078 -19.0254 TIMING: 702400 CPU: 2092.51, 0.0030219/step Wall: 2092.51, 0.0030219/step, 3.60747 hours remaining, 207.414062 MB of memory in use. ENERGY: 702400 780.3489 2037.7415 1951.7603 104.9504 -206452.3127 18011.0133 0.0000 0.0000 34309.9993 -149256.4992 299.6378 -183566.4984 -149157.0438 298.9160 74.3965 103.6961 558626.8830 -11.7413 -11.7279 PRESSURE: 702600 237.59 -73.6899 -42.7131 -73.6894 -75.1578 -32.9438 -42.7142 -32.9429 39.6145 GPRESSURE: 702600 287.724 -86.1298 -39.2793 -47.5221 15.5476 -25.2141 -44.866 -19.9243 -4.53482 PRESSAVG: 702600 132.075 -3.75057 2.29376 -3.75065 -42.5998 -52.9511 2.29375 -52.9511 -89.001 GPRESSAVG: 702600 131.663 -5.29653 0.706076 -4.05759 -41.4461 -54.4422 2.64046 -50.8236 -89.7546 TIMING: 702600 CPU: 2093.11, 0.00300934/step Wall: 2093.11, 0.00300934/step, 3.59232 hours remaining, 207.414062 MB of memory in use. ENERGY: 702600 712.5066 2038.9083 1908.1034 100.8441 -206113.5383 17903.8380 0.0000 0.0000 34131.6777 -149317.6602 298.0804 -183449.3379 -149223.4673 298.9241 67.3490 99.5788 558783.4762 0.1580 0.1542 PRESSURE: 702800 104.692 17.2888 32.1415 17.2882 -130.209 -93.2307 32.1434 -93.2302 -185.965 GPRESSURE: 702800 79.035 20.9381 1.47656 -3.06984 -71.0163 -37.8338 60.176 -120.251 -122.331 PRESSAVG: 702800 47.5823 -12.2203 -18.8729 -12.2203 -36.2629 41.21 -18.873 41.2101 -16.4252 GPRESSAVG: 702800 46.7417 -10.7883 -17.1619 -9.30627 -36.1675 43.048 -18.5126 38.3726 -15.5693 TIMING: 702800 CPU: 2093.71, 0.00297601/step Wall: 2093.71, 0.00297601/step, 3.55237 hours remaining, 207.414062 MB of memory in use. ENERGY: 702800 735.3376 2007.4170 1951.9051 103.3773 -206235.0136 17740.1268 0.0000 0.0000 34286.1300 -149410.7197 299.4293 -183696.8497 -149313.6834 299.1704 -70.4940 -38.1042 557211.0431 -1.7019 -1.6650 PRESSURE: 703000 -175.923 -160.835 45.6958 -160.835 48.8755 -191.682 45.6961 -191.681 29.6765 GPRESSURE: 703000 -106.373 -113.226 3.76333 -261.855 87.2515 -111.408 93.4112 -166.131 12.0877 PRESSAVG: 703000 35.0642 -48.388 31.9127 -48.388 -43.3408 -5.85031 31.9126 -5.85024 26.4609 GPRESSAVG: 703000 36.043 -48.6612 31.1854 -48.523 -43.1189 -6.1812 33.7741 -3.30387 25.2501 TIMING: 703000 CPU: 2094.3, 0.00295619/step Wall: 2094.3, 0.00295619/step, 3.52855 hours remaining, 207.414062 MB of memory in use. ENERGY: 703000 756.4126 2055.7694 1944.9335 107.1341 -205967.4427 17721.5877 0.0000 0.0000 33933.6699 -149447.9356 296.3512 -183381.6054 -149348.2683 298.3406 -32.4570 -2.3445 558148.9020 6.0614 6.0580 PRESSURE: 703200 -203.202 -68.5957 58.8079 -68.5956 -167.992 -182.724 58.8076 -182.723 -45.1656 GPRESSURE: 703200 -158.317 -80.8659 22.0182 -103.043 -146.665 -240.573 32.6134 -155.566 -25.4081 PRESSAVG: 703200 7.23112 -62.0037 33.7034 -62.0037 -13.3054 -116.538 33.7035 -116.538 13.2471 GPRESSAVG: 703200 7.22345 -62.3612 33.8561 -63.0837 -14.3224 -117.147 31.9543 -115.358 13.9319 TIMING: 703200 CPU: 2094.89, 0.00294743/step Wall: 2094.89, 0.00294743/step, 3.51792 hours remaining, 207.414062 MB of memory in use. ENERGY: 703200 758.6415 2058.8180 1943.5957 120.2878 -205901.9366 17611.9277 0.0000 0.0000 34172.4125 -149236.2534 298.4362 -183408.6659 -149135.4763 298.5062 -138.7864 -110.1298 557114.8568 2.3909 2.2777 PRESSURE: 703400 -29.9281 -73.3293 27.3268 -73.3285 -128.033 -218.399 27.327 -218.399 6.74028 GPRESSURE: 703400 62.6274 -116.619 -20.237 -69.3062 -41.7817 -166.488 51.5549 -212.858 -65.6536 PRESSAVG: 703400 8.87067 -69.4064 -35.217 -69.4063 -15.8246 -34.5573 -35.217 -34.5573 -20.4004 GPRESSAVG: 703400 6.88263 -68.6485 -35.2139 -69.0137 -15.6802 -32.6939 -34.6868 -37.5589 -18.5891 TIMING: 703400 CPU: 2095.48, 0.00296709/step Wall: 2095.48, 0.00296709/step, 3.54122 hours remaining, 207.414062 MB of memory in use. ENERGY: 703400 752.4315 2079.4072 1931.9007 108.9775 -206196.2981 17859.0398 0.0000 0.0000 34305.3901 -149159.1513 299.5975 -183464.5414 -149061.2578 299.1389 -50.4068 -14.9360 556898.6713 -9.1181 -9.1289 PRESSURE: 703600 226.61 16.064 -119.996 16.0658 311.85 66.3177 -119.995 66.3178 16.5472 GPRESSURE: 703600 239.824 -12.8824 -62.1694 -38.4955 361.826 28.0302 -179.873 38.1732 21.4668 PRESSAVG: 703600 38.8058 -24.3425 -28.6621 -24.3425 55.9828 -17.4728 -28.6622 -17.4728 -30.803 GPRESSAVG: 703600 40.1601 -23.8738 -27.9709 -23.3917 55.6349 -17.5872 -28.3596 -17.1365 -32.2632 TIMING: 703600 CPU: 2096.07, 0.00296827/step Wall: 2096.07, 0.00296827/step, 3.54246 hours remaining, 207.414062 MB of memory in use. ENERGY: 703600 699.0968 2029.4529 1939.6141 112.0701 -205938.9823 17763.7546 0.0000 0.0000 34410.1568 -148984.8369 300.5125 -183394.9937 -148877.6897 299.5624 185.0022 207.7056 556505.4657 21.3285 21.1773 PRESSURE: 703800 27.0372 73.1817 71.8354 73.1808 128.956 -92.6343 71.8355 -92.6328 -92.5317 GPRESSURE: 703800 58.7407 -51.8276 202.059 180.144 160.064 -119.999 70.3263 -15.3197 -54.7375 PRESSAVG: 703800 -6.48005 -36.3973 -5.6043 -36.3973 29.73 13.7033 -5.60424 13.7033 -5.18787 GPRESSAVG: 703800 -6.06316 -36.6589 -5.86997 -35.1369 30.2705 14.3082 -4.10773 15.3429 -5.96946 TIMING: 703800 CPU: 2096.67, 0.00297814/step Wall: 2096.67, 0.00297814/step, 3.55408 hours remaining, 207.414062 MB of memory in use. ENERGY: 703800 753.4120 2072.6310 1911.1433 108.6112 -206266.1549 17917.9536 0.0000 0.0000 34466.3162 -149036.0876 301.0029 -183502.4038 -148943.7663 300.0327 21.1539 54.6892 557961.7271 6.0207 6.0793 PRESSURE: 704000 203.119 -1.71425 -26.5258 -1.71286 -2.01851 49.8013 -26.5253 49.8013 26.8815 GPRESSURE: 704000 256.626 -8.79005 -38.4157 51.6967 12.9222 76.6105 -20.7135 60.0161 54.1188 PRESSAVG: 704000 -16.1925 -23.9853 -61.8842 -23.9852 80.8591 -47.3701 -61.8841 -47.37 -65.5423 GPRESSAVG: 704000 -14.9661 -21.8351 -62.4334 -24.8885 79.4816 -49.0341 -63.1412 -47.3505 -65.0351 TIMING: 704000 CPU: 2097.27, 0.00298505/step Wall: 2097.27, 0.00298505/step, 3.56216 hours remaining, 207.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 704000 734.0610 2089.4991 1914.0848 93.8237 -206166.6461 18006.8340 0.0000 0.0000 34160.4334 -149167.9102 298.3316 -183328.3436 -149075.3869 298.7625 75.9941 107.8891 558167.7894 -0.2919 -0.1732 PRESSURE: 704200 152.292 -38.7198 -80.8663 -38.7197 -179.563 -7.94946 -80.8664 -7.9503 -58.5401 GPRESSURE: 704200 139.717 -9.43528 -37.5894 -47.8699 -127.688 50.8731 -99.6687 12.379 0.628642 PRESSAVG: 704200 11.6411 22.9502 -2.3579 22.9501 -2.62461 -42.3483 -2.35805 -42.3482 6.68241 GPRESSAVG: 704200 11.47 22.2809 -2.80235 20.7904 -2.27328 -42.107 -1.06646 -42.6621 5.94485 TIMING: 704200 CPU: 2097.87, 0.0030116/step Wall: 2097.87, 0.0030116/step, 3.59368 hours remaining, 207.414062 MB of memory in use. ENERGY: 704200 733.7492 2038.4349 1946.6776 104.8501 -206002.4133 17711.2701 0.0000 0.0000 34299.0596 -149168.3718 299.5422 -183467.4314 -149072.9946 299.3250 -28.6035 4.2192 558087.0490 5.2330 5.0472 LDB: ============= START OF LOAD BALANCING ============== 2101.42 LDB: ============== END OF LOAD BALANCING =============== 2101.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2101.42 LDB: ============= START OF LOAD BALANCING ============== 2101.72 LDB: Largest compute 4796 load 0.029023 is 24.6% of average load 0.118168 LDB: Average compute 0.001748 is 1.5% of average load 0.118168 LDB: TIME 2101.72 LOAD: AVG 0.118168 MAX 0.207812 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.188 MB LDB: TIME 2101.72 LOAD: AVG 0.118168 MAX 0.207812 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.191 MB LDB: TIME 2101.72 LOAD: AVG 0.118168 MAX 0.207812 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2101.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2101.73 PRESSURE: 704400 -229.956 -41.5817 -115.894 -41.5808 -158.813 -142.585 -115.894 -142.587 140.78 GPRESSURE: 704400 -192.969 -47.5052 -70.8235 -45.3249 -130.496 -162.674 -115.483 -91.0495 167.907 PRESSAVG: 704400 17.7869 12.8542 -54.5801 12.8543 -26.2528 -32.5407 -54.5801 -32.5408 -6.1733 GPRESSAVG: 704400 17.0226 11.8357 -54.0373 14.7825 -26.4468 -32.6136 -55.6728 -32.3365 -5.20837 TIMING: 704400 CPU: 2098.48, 0.00303325/step Wall: 2098.48, 0.00303325/step, 3.61934 hours remaining, 207.722656 MB of memory in use. ENERGY: 704400 734.2248 2149.8375 1930.8877 106.0741 -205969.1540 17673.8198 0.0000 0.0000 34396.4570 -148977.8531 300.3928 -183374.3101 -148882.0037 299.4529 -82.6631 -51.8526 557644.9003 -4.8797 -4.8775 PRESSURE: 704600 110.61 133.704 -68.9783 133.705 88.6842 -78.1518 -68.9773 -78.1514 -179.269 GPRESSURE: 704600 86.8532 206.788 3.54625 121.603 200.425 -28.1629 -30.0462 -71.2793 -172.597 PRESSAVG: 704600 -64.0855 6.25864 -57.95 6.25873 -8.07983 27.7575 -57.95 27.7575 44.5353 GPRESSAVG: 704600 -64.9328 8.52775 -56.9806 4.8224 -7.18337 28.1529 -57.7894 28.2909 44.433 TIMING: 704600 CPU: 2099.07, 0.00298719/step Wall: 2099.07, 0.00298719/step, 3.56422 hours remaining, 207.722656 MB of memory in use. ENERGY: 704600 732.3184 2093.9369 1935.1365 123.1586 -205919.7221 17526.9933 0.0000 0.0000 34527.4434 -148980.7350 301.5368 -183508.1784 -148879.7368 299.8833 6.6751 38.2269 555634.8244 -9.2100 -9.2277 PRESSURE: 704800 137.819 -77.4618 33.3507 -77.4617 -36.0754 -130.077 33.3517 -130.08 183.087 GPRESSURE: 704800 167.143 -128.575 25.0017 -59.7997 34.322 -103.74 39.6779 -153.216 170.942 PRESSAVG: 704800 17.3122 4.48441 -6.2739 4.48448 6.08993 60.5857 -6.27391 60.5857 -11.7405 GPRESSAVG: 704800 17.7828 1.19778 -6.36082 5.1092 5.62727 60.1697 -7.00869 60.3875 -11.8725 TIMING: 704800 CPU: 2099.67, 0.00296395/step Wall: 2099.67, 0.00296395/step, 3.53632 hours remaining, 207.722656 MB of memory in use. ENERGY: 704800 766.3717 2114.0368 1925.9469 109.6217 -206045.4740 17831.1921 0.0000 0.0000 34227.2189 -149071.0860 298.9148 -183298.3049 -148969.8704 299.8210 94.9434 124.1356 554529.4330 3.8872 3.8459 PRESSURE: 705000 151.228 1.74748 96.6895 1.74809 -101.007 106.127 96.6911 106.127 236.825 GPRESSURE: 705000 195.682 -53.787 117.993 11.423 -39.0678 74.3411 69.8933 63.9657 216.397 PRESSAVG: 705000 -41.513 -41.2852 -16.0646 -41.2852 -6.59721 -54.4316 -16.0645 -54.4316 38.8379 GPRESSAVG: 705000 -42.4033 -40.6644 -16.694 -39.563 -6.21954 -53.7648 -17.1606 -56.0642 39.1325 TIMING: 705000 CPU: 2100.26, 0.00297014/step Wall: 2100.26, 0.00297014/step, 3.54354 hours remaining, 207.722656 MB of memory in use. ENERGY: 705000 762.4096 2070.3653 1925.5568 106.8918 -206026.5473 17875.1781 0.0000 0.0000 34158.3582 -149127.7875 298.3134 -183286.1457 -149029.4211 299.4091 95.6821 124.3370 555958.7098 -3.0908 -3.1634 PRESSURE: 705200 -131.61 52.9569 96.7018 52.9564 46.8774 -10.7383 96.7021 -10.7373 -310.882 GPRESSURE: 705200 -120.377 95.5812 148.374 46.1346 93.0253 -39.5506 106.132 33.8692 -273.984 PRESSAVG: 705200 -38.6125 -44.7679 -80.5719 -44.7679 -4.62079 42.9015 -80.5719 42.9015 -1.16427 GPRESSAVG: 705200 -37.0921 -45.456 -79.704 -47.5571 -3.88029 41.0579 -77.4834 44.9146 -3.05781 TIMING: 705200 CPU: 2100.85, 0.00297273/step Wall: 2100.85, 0.00297273/step, 3.54647 hours remaining, 207.722656 MB of memory in use. ENERGY: 705200 743.1667 2072.7385 1916.0997 120.9104 -205553.0783 17497.0420 0.0000 0.0000 34081.6616 -149121.4594 297.6436 -183203.1210 -149028.6663 299.0650 -131.8716 -100.4450 558132.3277 -14.7992 -14.6767 PRESSURE: 705400 53.0997 -58.1627 173.767 -58.1637 28.3246 -58.6024 173.768 -58.6016 -87.6482 GPRESSURE: 705400 119.308 -55.4245 204.542 -16.4913 6.46908 -83.317 162.291 -20.9614 -36.8935 PRESSAVG: 705400 -28.9675 -62.1019 -24.6878 -62.1019 42.5401 11.9658 -24.6878 11.9659 -13.7883 GPRESSAVG: 705400 -29.5192 -59.6566 -24.2572 -61.5072 41.3802 11.7207 -27.109 10.2725 -12.0269 TIMING: 705400 CPU: 2101.45, 0.00295196/step Wall: 2101.45, 0.00295196/step, 3.52152 hours remaining, 207.722656 MB of memory in use. ENERGY: 705400 760.2093 2104.5581 1940.2721 110.1648 -206388.1575 18004.3459 0.0000 0.0000 34381.6719 -149086.9354 300.2637 -183468.6073 -148987.0649 299.1771 -2.0746 29.6278 557521.6116 -0.0719 -0.0553 PRESSURE: 705600 111.522 160.338 -98.4487 160.338 210.053 51.9243 -98.4476 51.9243 -3.21045 GPRESSURE: 705600 190.981 247.994 -148.39 127.17 235.336 44.1564 -75.139 133.068 -9.50793 PRESSAVG: 705600 26.6099 -1.6835 -32.1859 -1.68352 25.6433 -3.59583 -32.186 -3.59592 -14.4067 GPRESSAVG: 705600 26.1024 -5.20243 -33.1707 0.0407375 27.1393 -0.980874 -31.731 -3.06989 -15.7911 TIMING: 705600 CPU: 2102.04, 0.00296541/step Wall: 2102.04, 0.00296541/step, 3.53741 hours remaining, 207.722656 MB of memory in use. ENERGY: 705600 722.0001 2085.2666 1915.7602 105.6134 -206138.7944 17851.3135 0.0000 0.0000 34280.4966 -149178.3441 299.3801 -183458.8407 -149076.5795 299.8315 106.1218 138.9363 557402.5323 12.6155 12.4835 PRESSURE: 705800 -117.944 -4.16074 118.759 -4.16141 -100.967 20.7787 118.759 20.7791 -198.855 GPRESSURE: 705800 -96.5413 91.6504 118.381 -101.164 -61.9514 -31.1821 134.326 19.5395 -158.017 PRESSAVG: 705800 -30.8214 -8.71916 -28.8544 -8.71918 17.3631 10.4647 -28.8544 10.4647 -8.3172 GPRESSAVG: 705800 -31.0908 -6.61774 -28.7771 -11.9655 15.0024 8.96076 -29.0342 10.177 -6.04272 TIMING: 705800 CPU: 2102.63, 0.00296038/step Wall: 2102.63, 0.00296038/step, 3.53124 hours remaining, 207.722656 MB of memory in use. ENERGY: 705800 735.3842 2090.4666 1951.8998 121.3412 -206024.9000 17619.7783 0.0000 0.0000 34180.4144 -149325.6156 298.5061 -183506.0300 -149230.4562 299.0735 -139.2552 -105.5032 558654.7046 -7.2585 -7.3770 PRESSURE: 706000 237.517 -88.6975 4.48068 -88.6982 21.4115 1.6626 4.48105 1.66238 -34.7719 GPRESSURE: 706000 282.496 -37.4769 -22.5877 -153.239 101.677 91.5747 30.3943 -75.0183 -65.2552 PRESSAVG: 706000 22.32 34.6975 66.5733 34.6974 41.9819 14.24 66.5733 14.24 -12.5315 GPRESSAVG: 706000 22.1178 35.9593 67.237 35.5603 43.2763 16.9533 68.3547 15.0987 -13.8305 TIMING: 706000 CPU: 2103.22, 0.00296372/step Wall: 2103.22, 0.00296372/step, 3.53506 hours remaining, 207.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 706000 746.0858 2033.9320 1929.3537 115.0682 -206113.6372 17810.4927 0.0000 0.0000 34269.0638 -149209.6411 299.2803 -183478.7049 -149109.9283 298.8344 74.7189 106.3062 557139.8225 17.2568 17.1879 PRESSURE: 706200 -6.98614 -65.2338 93.9554 -65.2338 -200.622 -4.54438 93.9563 -4.54441 -134.496 GPRESSURE: 706200 11.7729 -80.9085 6.31469 18.3228 -134.663 -21.7235 71.9322 -6.94809 -121.087 PRESSAVG: 706200 37.4096 -14.0685 -2.0987 -14.0686 -15.7968 35.367 -2.0987 35.3668 -5.72896 GPRESSAVG: 706200 38.3965 -15.0359 -3.12778 -13.675 -16.1686 32.7218 -2.98295 34.5773 -6.23545 TIMING: 706200 CPU: 2103.82, 0.00296801/step Wall: 2103.82, 0.00296801/step, 3.54001 hours remaining, 207.722656 MB of memory in use. ENERGY: 706200 753.1851 2034.7170 1927.6946 109.9320 -206153.4797 17691.8035 0.0000 0.0000 34376.0680 -149260.0794 300.2148 -183636.1475 -149166.8021 298.8468 -114.0347 -81.3255 557241.7532 5.2946 5.3308 PRESSURE: 706400 99.6804 38.4155 49.6534 38.4157 212.118 -202.819 49.6541 -202.819 118.43 GPRESSURE: 706400 191.729 55.1796 91.9195 -104.48 247.177 -212.162 27.1431 -196.787 77.0011 PRESSAVG: 706400 37.4414 -3.38958 27.2636 -3.3897 38.0017 15.3978 27.2636 15.3977 -66.4351 GPRESSAVG: 706400 37.367 -5.35402 25.8792 -2.20177 37.8528 17.0268 26.4158 13.6967 -66.5235 TIMING: 706400 CPU: 2104.42, 0.0030028/step Wall: 2104.42, 0.0030028/step, 3.58134 hours remaining, 207.722656 MB of memory in use. ENERGY: 706400 741.2409 2064.2751 1926.6627 126.1326 -206364.9968 17923.1146 0.0000 0.0000 34202.5898 -149380.9811 298.6997 -183583.5710 -149286.0958 299.0950 143.4094 171.9692 556058.4629 3.0027 2.8988 PRESSURE: 706600 -201.76 -57.7103 -216.092 -57.7117 160.658 117.021 -216.093 117.021 98.5892 GPRESSURE: 706600 -91.4107 -48.1242 -91.1774 -62.8635 110.821 59.1364 -247.41 198.318 129.682 PRESSAVG: 706600 -18.0424 38.1745 31.9036 38.1745 -36.0777 7.08624 31.9036 7.08639 71.0613 GPRESSAVG: 706600 -18.3766 39.5753 34.2455 38.0301 -37.0898 6.46191 30.4132 8.79982 71.8162 TIMING: 706600 CPU: 2105.02, 0.002994/step Wall: 2105.02, 0.002994/step, 3.57068 hours remaining, 207.722656 MB of memory in use. ENERGY: 706600 757.5288 2140.5976 1934.2197 109.6701 -206390.5916 17766.6665 0.0000 0.0000 34273.3980 -149408.5109 299.3181 -183681.9089 -149313.9537 298.9319 19.1624 49.6974 555148.4084 5.6471 5.4499 PRESSURE: 706800 -66.513 4.7167 -49.0391 4.71709 24.8827 -73.4032 -49.0392 -73.4037 79.8648 GPRESSURE: 706800 -48.2216 -54.4558 10.6089 19.5505 29.8197 10.8008 -42.1114 -141.167 147.198 PRESSAVG: 706800 -65.4175 -3.24848 1.54824 -3.24851 57.7249 58.1024 1.54825 58.1024 22.5785 GPRESSAVG: 706800 -66.3976 -3.24777 3.24567 -6.21656 58.7339 56.7999 0.711158 58.9434 23.3601 TIMING: 706800 CPU: 2105.62, 0.00303363/step Wall: 2105.62, 0.00303363/step, 3.61777 hours remaining, 207.722656 MB of memory in use. ENERGY: 706800 752.6631 2086.0815 1918.1854 112.5232 -206050.7525 17682.3611 0.0000 0.0000 34145.9163 -149353.0218 298.2048 -183498.9381 -149255.7591 298.9215 12.7448 42.9319 557028.6774 4.9620 5.2322 PRESSURE: 707000 -94.2898 69.4367 -4.42097 69.4371 17.7018 202.988 -4.42124 202.988 -121.779 GPRESSURE: 707000 -113.652 172.502 89.6363 33.6567 54.4868 147.571 -71.9387 157.432 -42.6106 PRESSAVG: 707000 0.62456 19.2276 -0.799884 19.2276 11.523 14.6743 -0.799933 14.6743 -18.2616 GPRESSAVG: 707000 1.87739 19.6158 -2.42006 20.0795 12.3701 15.3495 1.08599 14.1846 -19.9837 TIMING: 707000 CPU: 2106.22, 0.00301075/step Wall: 2106.22, 0.00301075/step, 3.59032 hours remaining, 207.722656 MB of memory in use. ENERGY: 707000 753.7547 2071.4598 1931.3460 91.4270 -205929.2310 17592.5701 0.0000 0.0000 34204.5568 -149284.1165 298.7169 -183488.6734 -149190.1047 299.3951 -66.1224 -33.9251 557933.9544 -2.0380 -1.9121 PRESSURE: 707200 95.1537 154.872 -82.5522 154.872 -311.703 -23.3119 -82.5526 -23.3117 0.697588 GPRESSURE: 707200 46.86 108.005 -66.6127 126.635 -221.155 -21.9476 -122.47 -24.097 47.2347 PRESSAVG: 707200 -23.2365 -28.7427 -17.4861 -28.7426 48.0673 -8.80593 -17.4862 -8.80588 21.8069 GPRESSAVG: 707200 -24.3161 -29.4584 -16.0509 -26.8692 48.5777 -6.9684 -17.2717 -8.14629 22.8133 TIMING: 707200 CPU: 2106.82, 0.00297056/step Wall: 2106.82, 0.00297056/step, 3.54222 hours remaining, 207.722656 MB of memory in use. ENERGY: 707200 731.9087 2112.8454 1911.6371 115.5850 -206519.0899 17713.8972 0.0000 0.0000 34433.8337 -149499.3828 300.7192 -183933.2165 -149397.3708 298.6174 -71.9504 -42.3534 556388.5256 15.5459 15.6916 PRESSURE: 707400 56.4044 -67.0256 71.504 -67.0253 -54.5443 -31.6517 71.502 -31.6503 17.3808 GPRESSURE: 707400 98.9752 -56.5328 -27.1266 -23.7965 -23.222 -108.233 147.889 -69.6347 36.6211 PRESSAVG: 707400 14.8028 -2.99936 -11.2842 -2.99947 6.11374 -4.63176 -11.2842 -4.63171 12.9047 GPRESSAVG: 707400 14.9688 -3.60965 -14.1612 -2.23133 5.63183 -6.3572 -10.0426 -5.90311 12.9333 TIMING: 707400 CPU: 2107.42, 0.00298796/step Wall: 2107.42, 0.00298796/step, 3.56281 hours remaining, 207.722656 MB of memory in use. ENERGY: 707400 732.2678 2140.8474 1934.9895 116.1493 -206002.9350 17652.6335 0.0000 0.0000 34122.9891 -149303.0583 298.0046 -183426.0475 -149202.1806 298.2997 6.4136 37.4581 556900.9814 11.2737 11.1780 PRESSURE: 707600 -2.9106 -45.4956 169.206 -45.4961 362.079 -37.7393 169.205 -37.7395 -127.362 GPRESSURE: 707600 17.1553 30.0029 68.0882 -88.8261 397.963 -59.4756 141.125 -37.8747 -100.266 PRESSAVG: 707600 -36.1161 11.7391 29.5689 11.7392 -7.98022 -26.2781 29.5688 -26.2782 72.282 GPRESSAVG: 707600 -35.5448 13.0969 31.022 10.7534 -9.35478 -25.1588 28.129 -26.7519 72.9197 TIMING: 707600 CPU: 2108.02, 0.00300678/step Wall: 2108.02, 0.00300678/step, 3.58508 hours remaining, 207.722656 MB of memory in use. ENERGY: 707600 744.0444 2046.4992 1940.4508 118.9984 -206279.6292 17864.6996 0.0000 0.0000 34110.9992 -149453.9378 297.8998 -183564.9370 -149364.4419 298.3450 77.2689 104.9509 556439.2969 9.3952 9.3401 PRESSURE: 707800 37.6914 22.1787 243.059 22.1784 -115.607 201.408 243.06 201.409 -91.8657 GPRESSURE: 707800 87.4832 -16.965 126.172 -14.3566 -100.848 223.379 130.098 239.308 -68.5253 PRESSAVG: 707800 -88.2729 -1.04593 -14.9873 -1.04586 21.8087 14.6188 -14.9873 14.6187 40.4088 GPRESSAVG: 707800 -88.0563 1.31912 -17.1908 -4.15074 22.5408 14.3056 -13.332 14.7694 38.8633 TIMING: 707800 CPU: 2108.61, 0.00296539/step Wall: 2108.61, 0.00296538/step, 3.53556 hours remaining, 207.722656 MB of memory in use. ENERGY: 707800 719.6599 2022.6495 1925.2656 111.8367 -206221.8184 17701.6224 0.0000 0.0000 34182.9845 -149557.7998 298.5285 -183740.7843 -149452.3223 297.9229 -56.5938 -27.2968 557557.5097 -8.6851 -8.8841 PRESSURE: 708000 158.693 -96.4155 -69.3215 -96.415 12.2861 41.2344 -69.3218 41.2341 -275.446 GPRESSURE: 708000 172.935 -34.4598 -110.049 -144.755 22.5662 -0.630561 -78.5428 8.7394 -209.721 PRESSAVG: 708000 -6.8717 14.1537 15.0849 14.1537 -16.7688 29.8413 15.0849 29.8414 26.8259 GPRESSAVG: 708000 -7.50903 12.2048 15.142 16.5765 -16.7909 29.9223 14.0393 32.4009 27.3394 TIMING: 708000 CPU: 2109.21, 0.00297378/step Wall: 2109.21, 0.00297378/step, 3.54541 hours remaining, 207.722656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 708000 767.2426 2137.7847 1935.8217 117.0309 -206358.4413 18041.1669 0.0000 0.0000 33907.8239 -149451.5707 296.1255 -183359.3946 -149353.1095 298.2521 -34.8225 -4.7399 558248.2784 1.0618 1.0132 PRESSURE: 708200 -129.374 17.3172 115.73 17.318 -105.257 -2.96688 115.731 -2.96665 -201.459 GPRESSURE: 708200 -102.416 21.5418 55.8552 -8.47551 -69.4845 30.5247 115.408 -31.1301 -164.79 PRESSAVG: 708200 43.2365 42.4992 -24.9252 42.4993 -19.9708 -44.1634 -24.9252 -44.1635 7.41569 GPRESSAVG: 708200 43.9136 41.0764 -22.0073 43.8392 -20.5049 -44.3878 -25.085 -45.7437 7.20991 TIMING: 708200 CPU: 2109.8, 0.00296744/step Wall: 2109.8, 0.00296744/step, 3.53769 hours remaining, 207.722656 MB of memory in use. ENERGY: 708200 751.4818 2054.0079 1926.3525 98.8044 -206011.6044 17553.2092 0.0000 0.0000 34174.1759 -149453.5728 298.4516 -183627.7487 -149350.6077 298.9094 -145.3634 -112.2303 556557.7882 10.2271 10.2062 LDB: ============= START OF LOAD BALANCING ============== 2113.35 LDB: ============== END OF LOAD BALANCING =============== 2113.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2113.35 LDB: ============= START OF LOAD BALANCING ============== 2113.66 LDB: Largest compute 4796 load 0.026988 is 22.9% of average load 0.118091 LDB: Average compute 0.001733 is 1.5% of average load 0.118091 LDB: TIME 2113.66 LOAD: AVG 0.118091 MAX 0.209419 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.699 MB LDB: TIME 2113.66 LOAD: AVG 0.118091 MAX 0.209419 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.699 MB LDB: TIME 2113.66 LOAD: AVG 0.118091 MAX 0.209419 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.699 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2113.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2113.66 PRESSURE: 708400 -165.431 67.8137 39.2183 67.8126 -25.4313 -43.8704 39.2193 -43.8706 -26.1369 GPRESSURE: 708400 -109.219 -15.2562 6.93481 73.0367 -33.1322 3.80697 41.8205 -44.6274 25.1497 PRESSAVG: 708400 -47.0237 42.1527 6.80304 42.1527 -21.3886 -9.41046 6.80318 -9.41048 18.5125 GPRESSAVG: 708400 -47.638 43.4162 5.86296 40.3919 -21.3472 -9.11609 7.84433 -9.56641 19.1228 TIMING: 708400 CPU: 2110.41, 0.00307521/step Wall: 2110.41, 0.00307521/step, 3.666 hours remaining, 206.699219 MB of memory in use. ENERGY: 708400 751.6811 2048.3394 1942.7989 112.8237 -206364.3281 17793.2628 0.0000 0.0000 34185.8859 -149529.5364 298.5538 -183715.4224 -149430.9709 298.0084 -72.3332 -39.0672 557648.9679 -16.6332 -16.6208 PRESSURE: 708600 -72.9274 -68.9326 11.0445 -68.9319 -45.1103 -25.8997 11.0438 -25.9001 144.569 GPRESSURE: 708600 -68.9809 -34.4948 -42.2918 -73.078 3.44041 0.339772 148.305 -102.801 184.852 PRESSAVG: 708600 -26.5918 -35.3019 10.2318 -35.3019 1.82721 -40.2649 10.2317 -40.2649 51.4592 GPRESSAVG: 708600 -27.276 -33.194 13.9316 -35.4956 2.31426 -40.3806 6.88333 -39.0537 51.519 TIMING: 708600 CPU: 2111.02, 0.00303023/step Wall: 2111.02, 0.00303023/step, 3.6122 hours remaining, 206.699219 MB of memory in use. ENERGY: 708600 772.6970 2059.8082 1933.9052 107.8502 -206301.8433 17881.1124 0.0000 0.0000 34261.4583 -149285.0121 299.2138 -183546.4703 -149195.8380 298.9792 8.8439 39.7705 556454.6431 8.8982 8.8524 PRESSURE: 708800 -200.497 -56.4518 -24.7521 -56.4524 -103.534 75.3218 -24.7536 75.3222 134.803 GPRESSURE: 708800 -140.251 -13.6256 -5.99001 -42.9888 -130.312 134.18 -4.91006 76.351 197.86 PRESSAVG: 708800 -1.70391 2.78519 9.76123 2.78525 -47.5103 -32.0645 9.76122 -32.0645 37.0052 GPRESSAVG: 708800 -0.555316 1.69762 8.4721 2.26527 -48.6708 -30.1753 10.4695 -34.2518 36.8007 TIMING: 708800 CPU: 2111.63, 0.00302344/step Wall: 2111.63, 0.00302344/step, 3.60394 hours remaining, 206.699219 MB of memory in use. ENERGY: 708800 734.8659 2093.8631 1948.8055 104.2494 -206052.0698 17634.2620 0.0000 0.0000 34286.1675 -149249.8564 299.4296 -183536.0239 -149153.0348 299.2943 -56.4094 -24.2345 556057.5150 -4.0697 -4.1418 PRESSURE: 709000 419.778 -22.5934 -36.6188 -22.5927 1.56301 64.8447 -36.62 64.8439 284.925 GPRESSURE: 709000 402.934 -63.7586 -68.3675 16.0769 80.3002 101.17 8.70612 75.1816 322.018 PRESSAVG: 709000 -14.7317 43.8797 14.4825 43.8797 26.7556 7.36944 14.4825 7.36947 49.5437 GPRESSAVG: 709000 -15.6092 43.9133 11.4683 42.7407 27.9156 5.10413 17.2673 9.09349 49.3236 TIMING: 709000 CPU: 2112.22, 0.00299637/step Wall: 2112.22, 0.00299637/step, 3.57151 hours remaining, 206.699219 MB of memory in use. ENERGY: 709000 757.4178 2155.1503 1914.9941 119.2389 -206824.5746 18228.8285 0.0000 0.0000 34297.9944 -149350.9505 299.5329 -183648.9449 -149261.9596 299.1348 235.4222 268.4175 555035.6034 20.5225 20.5433 PRESSURE: 709200 48.9183 20.3695 26.4089 20.3699 -155.509 16.9615 26.4099 16.9599 -232.653 GPRESSURE: 709200 103.741 37.9181 48.0503 25.6569 -199.121 46.9728 61.392 54.5699 -147.419 PRESSAVG: 709200 62.1965 11.8872 24.2401 11.8872 -59.8234 -43.7532 24.2402 -43.7531 -2.71135 GPRESSAVG: 709200 62.7987 13.4112 24.9893 10.8425 -60.6921 -41.9663 23.5426 -46.484 -2.81735 TIMING: 709200 CPU: 2112.82, 0.00299084/step Wall: 2112.82, 0.00299084/step, 3.56475 hours remaining, 206.699219 MB of memory in use. ENERGY: 709200 767.5818 2067.7757 1905.4491 109.3800 -205801.9210 17679.7619 0.0000 0.0000 34214.7109 -149057.2616 298.8056 -183271.9725 -148965.6558 298.8698 -113.0812 -80.9331 558315.8822 -0.1128 -0.2369 PRESSURE: 709400 218.377 52.2536 -134.404 52.2526 -203.024 -98.4092 -134.405 -98.4102 -340.496 GPRESSURE: 709400 243.881 4.54563 -129.679 90.0294 -168.961 -70.479 -219.066 -112.413 -306.112 PRESSAVG: 709400 52.2949 32.1477 -2.41161 32.1477 -49.0907 37.6922 -2.41167 37.6922 -8.04124 GPRESSAVG: 709400 50.6698 31.0212 -2.25237 34.2787 -47.8021 35.7349 -3.04253 38.8015 -7.484 TIMING: 709400 CPU: 2113.42, 0.00300809/step Wall: 2113.42, 0.00300809/step, 3.58515 hours remaining, 206.699219 MB of memory in use. ENERGY: 709400 799.4110 2070.4970 1912.4109 109.5850 -205640.7902 17543.9025 0.0000 0.0000 34245.7457 -148959.2383 299.0766 -183204.9840 -148870.0664 300.2057 -108.3810 -77.0640 559159.0594 -1.6124 -1.5388 PRESSURE: 709600 283.732 -58.7014 34.2259 -58.7003 -13.5692 -130.901 34.2255 -130.9 -159.442 GPRESSURE: 709600 288.417 -53.2221 51.6322 -84.9179 -12.6643 -136.374 -36.8442 -124.279 -79.8733 PRESSAVG: 709600 36.9437 48.0628 4.04061 48.0628 16.0677 -23.4909 4.04074 -23.4908 -75.0842 GPRESSAVG: 709600 37.594 47.5078 5.19847 49.5818 16.3922 -23.5327 4.96929 -23.201 -75.9076 TIMING: 709600 CPU: 2114.02, 0.0029849/step Wall: 2114.02, 0.0029849/step, 3.55733 hours remaining, 206.699219 MB of memory in use. ENERGY: 709600 745.0348 2141.7226 1907.3533 118.2290 -205996.4602 17860.2063 0.0000 0.0000 34193.7117 -149030.2025 298.6222 -183223.9142 -148940.6971 299.4456 36.9068 65.2930 558105.7405 -7.3576 -7.3071 PRESSURE: 709800 -121.631 35.3267 -115.754 35.3283 112.756 120.994 -115.753 120.996 -370.313 GPRESSURE: 709800 -90.2421 -12.8265 -66.97 25.3288 100.032 14.7861 -128.301 125.426 -287.563 PRESSAVG: 709800 45.122 15.8947 -22.7247 15.8948 -3.15175 -27.2665 -22.7248 -27.2665 -12.9672 GPRESSAVG: 709800 45.25 14.8097 -23.2151 12.3365 -4.78155 -27.3421 -21.0587 -27.6615 -11.9211 TIMING: 709800 CPU: 2114.63, 0.0030358/step Wall: 2114.63, 0.0030358/step, 3.61784 hours remaining, 206.699219 MB of memory in use. ENERGY: 709800 773.0519 2083.2846 1925.7698 110.6520 -205565.4833 17465.0499 0.0000 0.0000 34236.5655 -148971.1095 298.9964 -183207.6750 -148875.1043 299.8447 -126.3961 -92.5910 558725.4413 9.6677 9.5158 PRESSURE: 710000 -27.9596 137.162 -4.73982 137.163 132.183 -59.6854 -4.74007 -59.6845 -93.7893 GPRESSURE: 710000 1.12758 171.325 49.6817 162.593 193.387 -38.1554 19.9981 -73.0444 -87.4254 PRESSAVG: 710000 -6.35833 7.97343 -65.0733 7.97339 96.7536 1.83884 -65.0734 1.83882 -67.3812 GPRESSAVG: 710000 -7.13282 8.85528 -64.9584 9.72967 97.7859 3.00958 -65.198 0.365161 -67.4784 TIMING: 710000 CPU: 2115.23, 0.00299398/step Wall: 2115.23, 0.00299398/step, 3.56783 hours remaining, 206.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 710000 757.3312 2085.7388 1917.1357 110.9455 -205951.8394 17805.5373 0.0000 0.0000 34247.2235 -149027.9274 299.0895 -183275.1509 -148932.5010 299.6167 3.4781 35.6965 557540.1603 7.6714 7.7249 PRESSURE: 710200 66.9914 28.2026 -83.995 28.2036 82.5883 200.862 -83.9949 200.863 -18.3897 GPRESSURE: 710200 104.486 20.9009 -19.7427 61.2369 80.6035 343.25 -91.6729 123.431 49.1557 PRESSAVG: 710200 -23.554 -13.503 4.81268 -13.503 39.4625 1.80756 4.81269 1.8075 -23.3345 GPRESSAVG: 710200 -23.3043 -15.6494 3.187 -13.031 38.693 -0.309396 2.10002 4.66536 -23.3247 TIMING: 710200 CPU: 2115.83, 0.00300114/step Wall: 2115.83, 0.00300114/step, 3.57619 hours remaining, 206.699219 MB of memory in use. ENERGY: 710200 752.8959 2115.7346 1911.8335 111.2597 -206379.9816 17987.3217 0.0000 0.0000 34348.5857 -149152.3504 299.9747 -183500.9361 -149061.5158 299.2360 43.7300 78.0819 557882.4970 -2.4753 -2.6453 PRESSURE: 710400 -352.758 184.864 -148.843 184.864 -161.987 90.3838 -148.844 90.3829 -165.46 GPRESSURE: 710400 -341.58 171.997 -136.116 164.189 -115.09 175.153 -143.029 96.46 -133.34 PRESSAVG: 710400 -3.39133 6.59817 7.8077 6.59818 33.5896 -16.771 7.80769 -16.7711 -29.1454 GPRESSAVG: 710400 -2.98155 7.56122 8.78626 7.37593 35.1237 -15.7389 8.16786 -19.1423 -30.2736 TIMING: 710400 CPU: 2116.42, 0.00298442/step Wall: 2116.42, 0.00298442/step, 3.55611 hours remaining, 206.699219 MB of memory in use. ENERGY: 710400 754.6044 2034.3980 1996.2800 117.0361 -205750.9466 17448.5262 0.0000 0.0000 34303.7081 -149096.3937 299.5828 -183400.1019 -149000.7978 299.0966 -226.7348 -196.6698 559149.0000 0.3510 0.6228 PRESSURE: 710600 -196.498 -71.9497 142.982 -71.9487 -101.617 9.79126 142.983 9.79183 -287.28 GPRESSURE: 710600 -158.4 -22.2884 117.532 -152.105 -98.6881 12.1358 213.987 58.0298 -238.333 PRESSAVG: 710600 -48.9957 54.2907 -43.7026 54.2907 -5.04834 -18.646 -43.7027 -18.6459 27.9952 GPRESSAVG: 710600 -51.0087 55.0611 -43.0448 54.5908 -4.92456 -19.8981 -42.3535 -15.4372 29.997 TIMING: 710600 CPU: 2117.02, 0.00298906/step Wall: 2117.02, 0.00298906/step, 3.56146 hours remaining, 206.699219 MB of memory in use. ENERGY: 710600 764.2088 2116.8427 1957.6594 105.2761 -205982.9576 17646.4609 0.0000 0.0000 34170.5681 -149221.9416 298.4201 -183392.5096 -149133.7293 299.1356 -195.1317 -165.1407 558928.1583 -8.6829 -8.6454 PRESSURE: 710800 -114.206 166.594 -38.8245 166.594 141.331 -16.1719 -38.8241 -16.1716 193.131 GPRESSURE: 710800 -138.094 126.068 -85.8707 131.613 152.765 -88.6956 7.34685 65.2486 287.457 PRESSAVG: 710800 43.8595 46.9289 -1.38977 46.9288 -40.3644 -21.8908 -1.38979 -21.8908 2.40701 GPRESSAVG: 710800 45.6632 45.4938 -3.64148 48.1307 -39.0445 -20.5018 -0.808793 -23.9841 -0.474049 TIMING: 710800 CPU: 2117.62, 0.00298543/step Wall: 2117.62, 0.00298543/step, 3.55697 hours remaining, 206.699219 MB of memory in use. ENERGY: 710800 773.4080 2087.1693 1952.9675 107.8930 -206197.2832 17862.5731 0.0000 0.0000 34259.8350 -149153.4373 299.1997 -183413.2723 -149060.2990 299.1567 73.4187 100.7095 557820.6656 1.9674 2.0482 PRESSURE: 711000 -51.9796 -67.9308 31.4809 -67.9307 -225.273 -53.1008 31.4802 -53.1004 -83.1093 GPRESSURE: 711000 -4.09886 1.39786 -66.7032 -76.4957 -197.743 -31.1928 90.3393 -32.4493 -58.0471 PRESSAVG: 711000 10.2991 60.7851 -50.7317 60.7852 4.5766 -2.56734 -50.7317 -2.56738 -2.23925 GPRESSAVG: 711000 10.4194 61.9448 -49.0931 60.8927 3.91501 -3.59145 -51.5497 -1.56672 -1.23109 TIMING: 711000 CPU: 2118.22, 0.00298934/step Wall: 2118.22, 0.00298934/step, 3.56146 hours remaining, 206.699219 MB of memory in use. ENERGY: 711000 788.5388 2039.2194 1940.5060 111.5555 -206148.3224 17766.3113 0.0000 0.0000 34248.4918 -149253.6996 299.1006 -183502.1913 -149149.6528 299.1876 -120.1207 -86.6296 557823.8521 4.2121 4.3678 PRESSURE: 711200 -37.4121 55.1898 -23.3949 55.1898 118.361 -124.266 -23.3943 -124.266 -100.236 GPRESSURE: 711200 -8.73797 47.628 -59.1117 65.2972 164.178 -90.9094 -33.1552 -86.9818 -61.8229 PRESSAVG: 711200 28.931 21.1906 -2.95176 21.1906 -59.2097 -25.5968 -2.95173 -25.5966 -21.8976 GPRESSAVG: 711200 27.4348 21.2849 -2.83735 19.5794 -58.8097 -25.8491 -4.74474 -24.0746 -20.0143 TIMING: 711200 CPU: 2118.81, 0.00295979/step Wall: 2118.81, 0.00295979/step, 3.5261 hours remaining, 206.699219 MB of memory in use. ENERGY: 711200 730.3542 2029.5817 1962.8300 105.9009 -206303.0168 17930.5387 0.0000 0.0000 34322.9489 -149220.8624 299.7508 -183543.8113 -149122.4258 298.9755 -6.4289 31.2058 558253.4078 -17.3921 -17.1297 PRESSURE: 711400 34.3248 -94.6209 -80.0327 -94.6199 174.309 4.19122 -80.0331 4.19114 -56.4321 GPRESSURE: 711400 63.5997 -127.848 -66.0143 -90.5537 193.363 -35.9891 -55.5932 34.071 -5.27508 PRESSAVG: 711400 43.4311 -2.70071 12.4751 -2.70073 11.1003 -13.7703 12.475 -13.7704 -60.2211 GPRESSAVG: 711400 45.0209 -2.89028 11.5812 -1.28944 10.1297 -12.4222 14.231 -15.5498 -60.7783 TIMING: 711400 CPU: 2119.4, 0.00297093/step Wall: 2119.4, 0.00297093/step, 3.5392 hours remaining, 206.699219 MB of memory in use. ENERGY: 711400 744.8930 2017.9529 1942.8510 98.4452 -206193.7295 17965.3593 0.0000 0.0000 34092.7186 -149331.5095 297.7402 -183424.2281 -149231.4179 298.7550 50.7338 83.8958 557862.4502 -1.8966 -1.8759 PRESSURE: 711600 -26.1672 -24.3413 89.3049 -24.341 36.3836 118.914 89.3048 118.914 203.081 GPRESSURE: 711600 31.8567 -45.1073 55.0789 -11.5459 21.9674 119.247 144.42 27.28 261.392 PRESSAVG: 711600 8.60996 19.0265 13.3467 19.0266 19.5446 -12.4085 13.3466 -12.4084 -20.1665 GPRESSAVG: 711600 8.66868 17.9019 15.4857 19.2721 20.4473 -13.0806 12.7982 -11.592 -20.8159 TIMING: 711600 CPU: 2120, 0.00298212/step Wall: 2120, 0.00298212/step, 3.55236 hours remaining, 206.699219 MB of memory in use. ENERGY: 711600 718.6659 2155.7117 1960.9824 112.3204 -206519.5710 18100.9907 0.0000 0.0000 34237.6277 -149233.2723 299.0057 -183470.9000 -149145.0158 298.5568 71.0990 105.0720 556990.6384 2.6627 2.7667 PRESSURE: 711800 -243.534 -89.7908 -106.423 -89.7918 118.464 88.3663 -106.423 88.3659 -44.2995 GPRESSURE: 711800 -177.952 -100.752 -103.509 -117.828 104.76 80.3126 -63.4036 62.3338 19.2522 PRESSAVG: 711800 45.1003 30.8122 4.26344 30.8121 -36.0918 25.3418 4.2634 25.3419 45.6687 GPRESSAVG: 711800 44.4385 32.2053 4.06045 27.975 -36.4432 24.458 3.70576 24.6579 46.8408 TIMING: 711800 CPU: 2120.59, 0.0029746/step Wall: 2120.59, 0.0029746/step, 3.54325 hours remaining, 206.699219 MB of memory in use. ENERGY: 711800 738.4193 2089.3590 1917.9290 112.9611 -206394.9827 17900.8280 0.0000 0.0000 34251.7765 -149383.7098 299.1293 -183635.4862 -149286.3438 299.4541 -56.4566 -17.9799 558333.2421 18.2257 18.2787 PRESSURE: 712000 58.9925 10.3337 182.857 10.3343 27.1443 -49.0419 182.857 -49.0406 57.2154 GPRESSURE: 712000 109.155 -27.9013 173.807 24.7542 44.2335 -37.5443 192.254 -82.7773 96.4446 PRESSAVG: 712000 -27.7826 -11.4387 -5.32472 -11.4386 13.5897 -31.3897 -5.32476 -31.3897 24.1841 GPRESSAVG: 712000 -27.0455 -11.5516 -5.98579 -11.0818 13.0101 -31.0524 -4.6551 -32.8457 24.5539 TIMING: 712000 CPU: 2121.19, 0.00295619/step Wall: 2121.19, 0.00295619/step, 3.52115 hours remaining, 206.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 712000 752.5175 2105.4089 1945.4020 124.8931 -206651.0307 17972.2840 0.0000 0.0000 34342.0866 -149408.4386 299.9180 -183750.5251 -149315.9787 298.9023 47.7840 83.2778 556988.9226 3.3304 3.5062 PRESSURE: 712200 193.334 -99.815 -115.298 -99.8159 -110.915 -37.0265 -115.298 -37.026 38.144 GPRESSURE: 712200 224.681 -50.784 -244.227 -103.502 -113.594 -136.992 -26.487 43.4918 99.5524 PRESSAVG: 712200 29.8865 3.89819 58.7505 3.89812 31.6093 -16.0205 58.7504 -16.0204 -50.818 GPRESSAVG: 712200 30.3214 3.10086 57.7708 5.15625 32.1397 -15.9677 59.5776 -14.47 -51.7889 TIMING: 712200 CPU: 2121.78, 0.00296327/step Wall: 2121.78, 0.00296327/step, 3.52942 hours remaining, 206.699219 MB of memory in use. ENERGY: 712200 758.4379 2193.3092 1951.3296 116.6168 -206498.6981 17855.4458 0.0000 0.0000 34249.7338 -149373.8250 299.1114 -183623.5588 -149273.9262 299.1939 40.1878 70.2131 557789.0966 3.5593 3.5574 LDB: ============= START OF LOAD BALANCING ============== 2125.33 LDB: ============== END OF LOAD BALANCING =============== 2125.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2125.33 LDB: ============= START OF LOAD BALANCING ============== 2125.63 LDB: Largest compute 4796 load 0.029335 is 24.8% of average load 0.118118 LDB: Average compute 0.001734 is 1.5% of average load 0.118118 LDB: TIME 2125.63 LOAD: AVG 0.118118 MAX 0.20725 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.469 MB LDB: TIME 2125.63 LOAD: AVG 0.118118 MAX 0.20725 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.469 MB LDB: TIME 2125.63 LOAD: AVG 0.118118 MAX 0.20725 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.469 MB LDB: ============== END OF LOAD BALANCING =============== 2125.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2125.64 PRESSURE: 712400 124.536 -141.275 14.6431 -141.272 -59.5126 -116.275 14.6423 -116.275 -10.4946 GPRESSURE: 712400 165.489 -198.642 16.2011 -115.898 28.0203 -167.213 33.1868 -106.384 -55.5922 PRESSAVG: 712400 97.7663 -85.6252 -15.439 -85.6252 -71.2111 -50.1361 -15.439 -50.1361 -12.3902 GPRESSAVG: 712400 97.7002 -86.103 -16.4752 -86.9061 -70.2055 -49.6912 -14.0701 -49.5824 -13.0975 TIMING: 712400 CPU: 2122.39, 0.00303955/step Wall: 2122.39, 0.00303955/step, 3.62011 hours remaining, 206.496094 MB of memory in use. ENERGY: 712400 734.3124 2135.4811 1931.8300 108.1037 -206466.6457 18025.6097 0.0000 0.0000 34252.0258 -149279.2830 299.1315 -183531.3088 -149175.8445 298.8382 18.1763 45.9723 555885.9340 4.7216 4.7990 PRESSURE: 712600 -414.727 -36.1975 -151.128 -36.1972 -290.238 -19.6468 -151.127 -19.6475 -135.13 GPRESSURE: 712600 -387.28 -7.07021 -56.0189 -26.288 -286.804 -58.9654 -212.178 81.9838 -69.5634 PRESSAVG: 712600 -98.3666 -16.1208 -54.2856 -16.1208 71.1267 -14.7061 -54.2856 -14.7061 -9.96566 GPRESSAVG: 712600 -98.9229 -17.2531 -53.6871 -14.8737 71.3601 -15.7819 -56.2107 -15.7198 -9.93808 TIMING: 712600 CPU: 2122.98, 0.00299112/step Wall: 2122.98, 0.00299113/step, 3.56226 hours remaining, 206.496094 MB of memory in use. ENERGY: 712600 759.7610 2070.6262 1931.5021 109.2339 -206097.3396 17490.3289 0.0000 0.0000 34365.5865 -149370.3009 300.1232 -183735.8874 -149270.3528 299.5839 -280.0317 -247.8827 556325.4908 -12.4019 -12.5003 PRESSURE: 712800 25.6999 -30.9983 72.2505 -30.9987 -206.529 -24.4176 72.2505 -24.4178 -17.8895 GPRESSURE: 712800 47.8537 -93.9532 75.5563 16.2562 -175.706 -34.8634 44.9443 -81.3175 31.7208 PRESSAVG: 712800 -17.0704 32.2496 -38.5904 32.2496 31.5595 -29.0872 -38.5905 -29.0872 42.3368 GPRESSAVG: 712800 -15.6636 33.0347 -38.2926 29.9258 30.4094 -29.219 -39.3475 -29.2142 42.0129 TIMING: 712800 CPU: 2123.59, 0.00300517/step Wall: 2123.59, 0.00300517/step, 3.57882 hours remaining, 206.496094 MB of memory in use. ENERGY: 712800 781.1795 2094.1979 1937.8426 115.7826 -206172.7289 17540.9550 0.0000 0.0000 34320.4530 -149382.3183 299.7291 -183702.7713 -149283.1403 299.1547 -66.2395 -32.0438 554216.3602 18.9419 18.9195 PRESSURE: 713000 65.6223 177.274 -21.5532 177.276 -85.806 -85.9169 -21.5541 -85.9161 96.4778 GPRESSURE: 713000 82.3854 164.902 -99.7772 158.443 -47.1337 -56.6956 -30.6385 -95.0115 145.206 PRESSAVG: 713000 29.9512 30.8929 -42.3376 30.8929 -27.3971 7.35733 -42.3377 7.35732 10.3877 GPRESSAVG: 713000 28.6171 31.3036 -42.6347 30.7635 -26.9112 7.891 -42.7171 7.99834 11.0357 TIMING: 713000 CPU: 2124.19, 0.00301967/step Wall: 2124.19, 0.00301967/step, 3.59593 hours remaining, 206.496094 MB of memory in use. ENERGY: 713000 740.7165 2075.0227 1934.1026 120.6676 -206573.1835 17960.3750 0.0000 0.0000 34277.9912 -149464.3079 299.3582 -183742.2991 -149364.5869 298.8218 25.4313 60.1527 554929.1639 4.3139 4.2472 PRESSURE: 713200 205.56 -32.3635 -138.027 -32.3632 -189.292 53.2741 -138.025 53.2739 -78.5938 GPRESSURE: 713200 244.247 -52.0776 -102.219 -171.645 -143.7 146.756 -122.527 -0.307721 -73.5746 PRESSAVG: 713200 23.3919 -31.3442 -16.4011 -31.3442 -52.4865 5.06637 -16.4011 5.0663 76.0028 GPRESSAVG: 713200 24.0275 -31.906 -14.5324 -30.6226 -52.2074 5.56643 -15.045 3.77567 75.3567 TIMING: 713200 CPU: 2124.8, 0.00302938/step Wall: 2124.8, 0.00302938/step, 3.60732 hours remaining, 206.496094 MB of memory in use. ENERGY: 713200 748.9691 2121.8377 1911.3435 110.5257 -206579.5235 17870.1894 0.0000 0.0000 34309.1187 -149507.5394 299.6301 -183816.6581 -149418.2121 299.2446 -20.7751 8.9908 555806.9192 15.6361 15.7256 PRESSURE: 713400 -104.807 -32.6492 90.6432 -32.6481 140.949 -30.1971 90.6445 -30.198 119.515 GPRESSURE: 713400 -89.8927 -24.1535 86.7935 35.3418 144.157 -3.57529 186.237 17.2009 195.662 PRESSAVG: 713400 39.32 30.1992 3.66748 30.1992 -65.9288 5.11423 3.66745 5.11424 29.3848 GPRESSAVG: 713400 39.6248 27.7939 2.4909 31.1429 -66.3758 4.96722 1.92401 6.16006 29.5645 TIMING: 713400 CPU: 2125.39, 0.00298596/step Wall: 2125.39, 0.00298596/step, 3.55545 hours remaining, 206.496094 MB of memory in use. ENERGY: 713400 730.8929 2138.0762 1948.3609 107.1322 -206669.3975 17941.7717 0.0000 0.0000 34233.9564 -149569.2072 298.9737 -183803.1636 -149471.2420 298.5662 51.8858 83.3086 557208.6459 0.9254 0.9379 PRESSURE: 713600 -11.6416 19.5283 24.82 19.5283 121.939 -47.3599 24.8185 -47.3617 236.932 GPRESSURE: 713600 86.2767 -17.6711 67.6098 24.8585 159.729 -142.77 53.9155 51.0012 203.836 PRESSAVG: 713600 -25.5599 -62.3348 -20.2142 -62.3349 4.64339 -18.3376 -20.2142 -18.3377 27.2703 GPRESSAVG: 713600 -26.0288 -60.6934 -18.6826 -63.1049 4.07818 -20.7392 -19.6427 -17.7686 28.6093 TIMING: 713600 CPU: 2125.98, 0.00294602/step Wall: 2125.98, 0.00294602/step, 3.50773 hours remaining, 206.496094 MB of memory in use. ENERGY: 713600 720.5811 2097.1597 1872.8378 107.7189 -206495.0642 17964.9069 0.0000 0.0000 34188.6711 -149543.1887 298.5782 -183731.8598 -149450.3896 298.9200 115.7432 149.9471 557612.4425 2.1179 2.2196 PRESSURE: 713800 -3.23157 91.9284 49.4764 91.9286 -363.596 74.0312 49.4766 74.0308 -308.412 GPRESSURE: 713800 -21.3459 85.4292 51.0437 61.4589 -302.116 120.879 38.7328 51.2836 -254.293 PRESSAVG: 713800 19.8136 -10.7114 -11.4207 -10.7114 -16.4059 -3.4474 -11.4207 -3.44736 -8.03039 GPRESSAVG: 713800 20.0907 -10.2245 -12.3392 -11.2461 -15.023 0.198746 -12.0915 -5.24327 -9.55784 TIMING: 713800 CPU: 2126.58, 0.00298511/step Wall: 2126.58, 0.00298511/step, 3.55411 hours remaining, 206.496094 MB of memory in use. ENERGY: 713800 767.7695 2104.5028 1926.5893 104.8341 -206077.4525 17573.1961 0.0000 0.0000 34122.2922 -149478.2686 297.9985 -183600.5608 -149380.2995 298.9141 -225.0802 -192.5850 557876.9146 -1.5409 -1.4967 PRESSURE: 714000 -372.574 -149.932 -51.2827 -149.932 53.1022 -91.5611 -51.2811 -91.5602 -405.51 GPRESSURE: 714000 -402.239 -144.682 -86.6764 -158.475 67.0963 -79.3879 -43.1393 -120.31 -282.732 PRESSAVG: 714000 -13.1672 36.2302 37.4159 36.2301 -1.86321 -1.6586 37.4159 -1.65853 -45.3777 GPRESSAVG: 714000 -13.9981 36.7064 37.8197 35.5483 -1.40305 -3.10851 39.4786 -1.63859 -45.5509 TIMING: 714000 CPU: 2127.18, 0.00301558/step Wall: 2127.18, 0.00301558/step, 3.59021 hours remaining, 206.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 714000 760.7255 2140.7941 1964.1976 116.4630 -206462.0114 17738.5649 0.0000 0.0000 34251.0424 -149490.2240 299.1229 -183741.2663 -149392.1780 298.8270 -241.6606 -205.9584 558477.3402 -20.1361 -20.3174 PRESSURE: 714200 -5.37501 -102.191 144.712 -102.191 -239.557 -89.7378 144.711 -89.738 -181.344 GPRESSURE: 714200 5.95585 -62.0713 177.937 -63.0571 -197.585 -140.036 117.304 -163.295 -135.293 PRESSAVG: 714200 17.6695 -23.5767 -2.95801 -23.5767 -59.7636 21.3827 -2.95801 21.3828 53.575 GPRESSAVG: 714200 19.4884 -25.1722 -4.40639 -19.9884 -61.5149 21.5442 -4.39851 22.3867 53.7592 TIMING: 714200 CPU: 2127.77, 0.00296207/step Wall: 2127.77, 0.00296207/step, 3.52634 hours remaining, 206.496094 MB of memory in use. ENERGY: 714200 703.5815 2067.8406 1940.0860 108.4037 -206392.4081 17586.1198 0.0000 0.0000 34386.3301 -149600.0464 300.3044 -183986.3764 -149508.7799 298.2839 -142.0919 -108.9740 558211.1662 3.8270 3.9109 PRESSURE: 714400 56.269 -156.656 -17.2032 -156.656 -55.1315 26.8909 -17.2036 26.8891 -199.203 GPRESSURE: 714400 103.078 -171.359 -31.9922 -160.231 22.5081 33.864 -22.7807 74.808 -229.654 PRESSAVG: 714400 50.8582 -10.8244 4.99336 -10.8244 -95.3113 -25.9568 4.99336 -25.9567 33.1765 GPRESSAVG: 714400 51.6794 -9.43236 4.68849 -12.4727 -95.631 -26.0837 4.59117 -25.8213 32.8668 TIMING: 714400 CPU: 2128.37, 0.00295788/step Wall: 2128.37, 0.00295788/step, 3.52119 hours remaining, 206.496094 MB of memory in use. ENERGY: 714400 719.2914 2141.5610 1969.0508 112.8508 -206524.1868 17803.3235 0.0000 0.0000 34279.7469 -149498.3623 299.3736 -183778.1092 -149407.6677 298.4859 -66.0217 -34.6894 557566.4095 -3.7589 -3.6949 PRESSURE: 714600 180.683 -3.41843 -150.356 -3.41875 166.69 -152.614 -150.357 -152.614 -132.398 GPRESSURE: 714600 216.515 3.8981 -143.693 48.5944 191.089 -107.876 -135.308 -162.651 -96.1534 PRESSAVG: 714600 34.5953 -59.9234 -21.5354 -59.9235 -64.7384 -1.25625 -21.5354 -1.25617 -23.9989 GPRESSAVG: 714600 34.0559 -61.7593 -21.343 -60.295 -63.6403 -1.82442 -21.9556 -0.0892562 -24.17 TIMING: 714600 CPU: 2128.96, 0.0029717/step Wall: 2128.96, 0.0029717/step, 3.53748 hours remaining, 206.496094 MB of memory in use. ENERGY: 714600 744.6140 2073.9086 1944.4684 99.4968 -206578.8953 17991.9986 0.0000 0.0000 34163.0277 -149561.3812 298.3542 -183724.4088 -149462.5116 298.6309 71.6586 103.8166 557694.5958 -18.0473 -17.9181 PRESSURE: 714800 85.8597 -141.489 116.895 -141.489 -184.324 155.797 116.895 155.796 106.072 GPRESSURE: 714800 78.5473 -141.192 96.2797 -178.213 -166.645 124.024 81.7125 206.734 195.979 PRESSAVG: 714800 -36.9024 1.31016 1.21031 1.31013 34.8716 -47.5393 1.21028 -47.5394 -5.92974 GPRESSAVG: 714800 -38.3606 1.17953 1.53703 1.00226 34.1719 -47.776 2.44747 -47.1436 -3.57785 TIMING: 714800 CPU: 2129.56, 0.00298926/step Wall: 2129.56, 0.00298926/step, 3.55821 hours remaining, 206.496094 MB of memory in use. ENERGY: 714800 771.6249 2098.0361 1895.0001 121.0569 -206565.5404 17915.8051 0.0000 0.0000 34237.3455 -149526.6719 299.0033 -183764.0174 -149428.7092 298.6260 2.5357 35.9604 557169.8593 -2.6535 -2.5888 PRESSURE: 715000 116.729 104.849 -220.74 104.849 -41.1325 -53.1452 -220.739 -53.1447 -81.3544 GPRESSURE: 715000 170.383 166.329 -278.383 42.6391 3.95555 -37.4627 -159.697 -57.9592 -80.4938 PRESSAVG: 715000 37.0915 31.3953 1.35227 31.3953 -20.5449 12.5149 1.35226 12.5149 27.4187 GPRESSAVG: 715000 38.2517 32.7174 -0.867947 31.1223 -20.0969 12.7281 1.54731 11.2186 26.1148 TIMING: 715000 CPU: 2130.16, 0.00298977/step Wall: 2130.16, 0.00298977/step, 3.55866 hours remaining, 206.496094 MB of memory in use. ENERGY: 715000 780.5975 2073.8400 1910.7614 103.4131 -206705.6928 18107.0720 0.0000 0.0000 34186.2161 -149543.7928 298.5567 -183730.0089 -149445.2984 298.5881 -1.9193 31.2816 557899.6133 14.6551 14.7565 PRESSURE: 715200 212.505 -52.295 66.6909 -52.2952 80.5028 -42.5874 66.6908 -42.5866 129.557 GPRESSURE: 715200 265.844 18.3541 38.6755 -69.9514 80.545 -77.1197 96.4312 -60.9713 159.049 PRESSAVG: 715200 33.0464 -27.5452 -7.55781 -27.5452 -50.8033 29.5211 -7.55782 29.5211 20.3096 GPRESSAVG: 715200 32.5076 -26.372 -7.02555 -27.4527 -49.5536 30.2461 -7.41893 31.3096 19.8093 TIMING: 715200 CPU: 2130.75, 0.00299411/step Wall: 2130.75, 0.00299411/step, 3.56366 hours remaining, 206.496094 MB of memory in use. ENERGY: 715200 758.3102 2027.4582 1935.5172 93.5280 -206526.3912 18060.9669 0.0000 0.0000 34131.8188 -149518.7919 298.0817 -183650.6107 -149419.7207 298.3902 140.8550 168.4796 558593.0313 0.8509 0.9211 PRESSURE: 715400 -119.406 -73.0748 -46.4498 -73.0764 24.7686 3.72553 -46.4486 3.72508 227.267 GPRESSURE: 715400 -55.5597 -4.39731 -31.4099 -159.021 0.33831 -22.2747 -18.9438 -52.8279 274.047 PRESSAVG: 715400 2.89154 -12.0393 5.84746 -12.0394 32.3233 2.372 5.8475 2.37199 -1.78898 GPRESSAVG: 715400 2.45006 -14.3559 6.47567 -11.1932 31.9642 2.11346 5.90384 1.1269 -1.14716 TIMING: 715400 CPU: 2131.35, 0.00297418/step Wall: 2131.35, 0.00297418/step, 3.53977 hours remaining, 206.496094 MB of memory in use. ENERGY: 715400 748.7376 2084.3065 1983.8987 120.9664 -206684.5504 18027.4053 0.0000 0.0000 34228.4745 -149490.7614 298.9258 -183719.2359 -149388.3429 298.9770 44.2098 72.9418 556854.0424 11.1419 11.0890 PRESSURE: 715600 -152.622 145.809 -13.3065 145.809 -62.3611 -32.1891 -13.3069 -32.19 72.5306 GPRESSURE: 715600 -148.522 88.3863 -4.07488 134.791 -66.7412 -37.1671 0.379836 -35.0297 160.832 PRESSAVG: 715600 -29.6607 52.4193 11.5028 52.4194 20.1178 27.8016 11.5027 27.8016 15.1121 GPRESSAVG: 715600 -28.3182 53.1132 12.8207 53.9237 18.1273 26.7309 10.91 28.234 16.2461 TIMING: 715600 CPU: 2131.95, 0.00299035/step Wall: 2131.95, 0.00299035/step, 3.55884 hours remaining, 206.496094 MB of memory in use. ENERGY: 715600 757.6405 2079.4946 1910.9293 115.0588 -206446.9598 17792.7557 0.0000 0.0000 34067.0291 -149724.0519 297.5158 -183791.0810 -149628.3983 298.5983 -47.4841 -18.1436 556397.1560 1.8564 2.0184 PRESSURE: 715800 -476.722 2.92468 51.9723 2.92504 -365.021 18.5266 51.9715 18.5262 -289.465 GPRESSURE: 715800 -413.698 -78.254 82.9397 -46.7216 -401.437 6.46656 21.403 -43.0601 -213.799 PRESSAVG: 715800 -1.11151 -2.04244 -25.4785 -2.04241 34.3474 12.7083 -25.4783 12.7082 -25.9144 GPRESSAVG: 715800 -2.11064 -0.964772 -26.9985 -3.57501 36.769 14.6764 -25.141 10.5286 -27.0355 TIMING: 715800 CPU: 2132.54, 0.00297299/step Wall: 2132.54, 0.00297299/step, 3.53803 hours remaining, 206.496094 MB of memory in use. ENERGY: 715800 763.7362 2070.3398 1935.0895 115.4432 -205757.6499 17301.5070 0.0000 0.0000 33999.1999 -149572.3342 296.9235 -183571.5342 -149469.6105 298.5761 -377.0694 -342.9776 558910.9771 2.4405 2.5409 PRESSURE: 716000 76.7273 32.8882 -75.0026 32.8882 -77.3726 -30.4026 -75.0029 -30.4027 7.40143 GPRESSURE: 716000 95.8602 26.2808 -74.0331 64.3338 -27.5399 -103.313 -39.0247 8.61348 19.6697 PRESSAVG: 716000 -29.2085 -17.0513 -33.0931 -17.0514 -44.8937 -39.4976 -33.0931 -39.4976 40.2837 GPRESSAVG: 716000 -27.7716 -17.4495 -32.9801 -15.4618 -45.7078 -40.0487 -33.2802 -39.4692 39.542 TIMING: 716000 CPU: 2133.13, 0.00296289/step Wall: 2133.13, 0.00296289/step, 3.52584 hours remaining, 206.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 716000 740.2895 2085.6283 1926.5975 107.7742 -206510.5935 17836.0044 0.0000 0.0000 34251.3772 -149562.9223 299.1258 -183814.2995 -149467.6109 298.5800 2.2520 29.3300 555180.7295 -11.2728 -11.3125 PRESSURE: 716200 37.4222 -170.094 11.2039 -170.093 -63.1666 142.84 11.202 142.839 109.366 GPRESSURE: 716200 79.7795 -130.655 -10.2302 -177.275 -83.6643 248.831 -9.71412 42.2761 181.872 PRESSAVG: 716200 64.3483 -11.9523 23.3226 -11.9523 2.28855 44.1067 23.3226 44.1066 -56.2761 GPRESSAVG: 716200 62.8405 -9.43285 23.7178 -15.2937 2.23382 44.5328 22.6882 42.886 -54.271 TIMING: 716200 CPU: 2133.73, 0.00295151/step Wall: 2133.73, 0.00295151/step, 3.51213 hours remaining, 206.496094 MB of memory in use. ENERGY: 716200 745.5057 2073.9223 1950.7647 93.6777 -206382.7698 17651.1211 0.0000 0.0000 34225.6426 -149642.1356 298.9010 -183867.7782 -149546.6762 298.6755 27.8739 59.3290 555306.7302 3.4536 3.6011 LDB: ============= START OF LOAD BALANCING ============== 2137.27 LDB: ============== END OF LOAD BALANCING =============== 2137.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2137.27 LDB: ============= START OF LOAD BALANCING ============== 2137.57 LDB: Largest compute 4796 load 0.027148 is 23.0% of average load 0.118085 LDB: Average compute 0.001733 is 1.5% of average load 0.118085 LDB: TIME 2137.57 LOAD: AVG 0.118085 MAX 0.203986 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.984 MB LDB: TIME 2137.57 LOAD: AVG 0.118085 MAX 0.203986 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.988 MB LDB: TIME 2137.57 LOAD: AVG 0.118085 MAX 0.203986 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.988 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2137.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2137.57 PRESSURE: 716400 128.756 -63.5002 216.905 -63.5005 98.1076 -26.4863 216.904 -26.4873 -320.146 GPRESSURE: 716400 163.675 -21.818 279.284 -106.312 55.4487 -58.5078 253.498 17.069 -221.169 PRESSAVG: 716400 67.1651 -43.8391 30.1626 -43.839 -27.1167 75.4376 30.1626 75.4376 -23.9136 GPRESSAVG: 716400 67.131 -46.2522 29.7565 -40.8038 -25.9222 75.8388 31.7832 75.9431 -24.9353 TIMING: 716400 CPU: 2134.32, 0.00299824/step Wall: 2134.32, 0.00299824/step, 3.56757 hours remaining, 206.496094 MB of memory in use. ENERGY: 716400 726.3427 2089.0267 1929.1424 111.9632 -206583.2603 17848.9312 0.0000 0.0000 34182.2063 -149695.6477 298.5217 -183877.8540 -149597.1387 298.3838 -31.0941 -0.6818 556849.6184 5.3783 5.4245 PRESSURE: 716600 234.52 53.2091 96.1489 53.2098 -42.8901 168.877 96.1486 168.876 31.6924 GPRESSURE: 716600 253.21 38.7332 128.553 -6.05311 28.0798 224.596 33.2442 111.16 37.9734 PRESSAVG: 716600 7.98261 13.7158 6.29849 13.7159 33.3827 20.6178 6.2984 20.6178 1.49974 GPRESSAVG: 716600 8.65479 12.6158 6.39222 14.1572 33.1007 20.706 4.04409 21.4258 0.51063 TIMING: 716600 CPU: 2134.91, 0.00294301/step Wall: 2134.91, 0.00294301/step, 3.5017 hours remaining, 206.496094 MB of memory in use. ENERGY: 716600 745.9494 2111.2661 1922.3153 108.8264 -206611.0334 17951.1782 0.0000 0.0000 34090.1301 -149681.3679 297.7176 -183771.4980 -149587.1258 298.3289 74.4407 106.4210 555971.8273 14.2883 14.0887 PRESSURE: 716800 -92.5804 74.5107 110.794 74.511 -164.023 128.662 110.794 128.662 168.454 GPRESSURE: 716800 1.39692 32.9658 73.1129 45.8334 -141.95 172.878 114.04 26.279 153.545 PRESSAVG: 716800 -30.1299 13.9244 37.7572 13.9245 -27.1266 30.213 37.7572 30.2131 71.0813 GPRESSAVG: 716800 -30.3818 18.1871 38.193 10.1211 -27.699 29.4644 36.1638 31.4988 71.3647 TIMING: 716800 CPU: 2135.51, 0.00297532/step Wall: 2135.51, 0.00297532/step, 3.53996 hours remaining, 206.496094 MB of memory in use. ENERGY: 716800 711.1469 2017.6598 1954.4237 112.2020 -206588.1946 17840.1236 0.0000 0.0000 34165.7643 -149786.8743 298.3781 -183952.6386 -149692.1478 297.8046 -29.3831 4.3304 556796.1406 4.6083 4.4280 PRESSURE: 717000 41.1983 -150.13 91.582 -150.129 63.7468 48.5928 91.5826 48.5928 -90.8421 GPRESSURE: 717000 67.0468 -98.5295 61.5807 -160.717 80.483 32.9624 57.4051 96.976 -39.0489 PRESSAVG: 717000 -2.28206 -12.5509 -14.4264 -12.5509 -31.5758 93.2759 -14.4265 93.2761 41.814 GPRESSAVG: 717000 -3.07633 -16.9036 -14.9405 -7.60173 -31.0372 94.2543 -13.6995 92.0382 41.9174 TIMING: 717000 CPU: 2136.1, 0.00297207/step Wall: 2136.1, 0.00297207/step, 3.53594 hours remaining, 206.496094 MB of memory in use. ENERGY: 717000 751.9342 2129.0916 1906.0925 102.0695 -206069.7382 17683.7535 0.0000 0.0000 33821.8176 -149674.9793 295.3743 -183496.7969 -149575.6935 297.5257 4.7010 36.1603 555705.9870 2.6520 2.6013 PRESSURE: 717200 155.236 259.201 -68.7024 259.201 108.65 31.3282 -68.7046 31.329 -11.9838 GPRESSURE: 717200 161.464 247.656 -45.1653 250.482 168.028 -2.3984 -9.28866 6.71327 23.3338 PRESSAVG: 717200 18.3829 18.7486 34.5514 18.7485 7.92685 17.9425 34.5515 17.9425 7.12119 GPRESSAVG: 717200 19.137 21.3985 34.4779 16.929 6.92491 17.4788 34.7782 17.8825 7.51652 TIMING: 717200 CPU: 2136.7, 0.00299548/step Wall: 2136.7, 0.00299548/step, 3.56362 hours remaining, 206.496094 MB of memory in use. ENERGY: 717200 711.4153 2084.6036 1922.3870 99.4157 -206360.7101 17814.3854 0.0000 0.0000 34132.8412 -149595.6619 298.0906 -183728.5031 -149498.9404 297.7538 83.9673 117.6089 556094.9862 11.1436 11.1928 PRESSURE: 717400 56.4062 89.2681 276.836 89.2686 168.898 -78.8481 276.835 -78.8477 301.202 GPRESSURE: 717400 88.6275 55.6168 240.794 87.238 168.927 -63.9991 270.459 -84.4953 371.355 PRESSAVG: 717400 8.96142 6.32374 83.8203 6.32383 -27.9454 29.6909 83.8203 29.6909 41.8007 GPRESSAVG: 717400 9.16478 5.55958 83.6676 5.03847 -27.8569 29.1099 83.924 30.5039 41.8851 TIMING: 717400 CPU: 2137.3, 0.00301359/step Wall: 2137.3, 0.00301359/step, 3.58501 hours remaining, 206.496094 MB of memory in use. ENERGY: 717400 722.8372 2084.6715 1920.0888 108.6437 -206967.0023 18249.9485 0.0000 0.0000 34261.9902 -149618.8224 299.2185 -183880.8126 -149522.3512 298.5151 175.5021 209.6366 556951.4667 7.6056 7.7310 PRESSURE: 717600 -147.389 -52.0147 125.769 -52.0147 324.883 91.424 125.768 91.4239 -179.444 GPRESSURE: 717600 -57.8709 66.4369 46.931 -101.038 351.183 86.7066 145.186 125.499 -186.707 PRESSAVG: 717600 47.5682 -8.38848 17.6119 -8.38858 -17.5982 67.4158 17.6119 67.4157 -9.10351 GPRESSAVG: 717600 47.9715 -8.01755 16.4087 -8.78599 -17.4479 66.5459 19.5565 66.2008 -9.71636 TIMING: 717600 CPU: 2137.9, 0.00299813/step Wall: 2137.9, 0.00299813/step, 3.56644 hours remaining, 206.496094 MB of memory in use. ENERGY: 717600 750.6644 2029.5172 1927.6568 112.3120 -206523.5169 18069.4887 0.0000 0.0000 34078.0053 -149555.8725 297.6117 -183633.8778 -149462.3323 297.9187 -0.6499 35.5351 558318.4755 6.9555 6.9357 PRESSURE: 717800 -221.208 -64.4306 -40.2906 -64.4321 -159.959 45.0953 -40.2912 45.0939 -319.395 GPRESSURE: 717800 -148.011 -37.142 -174.944 -127.648 -147.547 111.987 132.432 37.7286 -310.828 PRESSAVG: 717800 13.6264 33.1762 33.87 33.1762 50.4883 1.97435 33.8699 1.97434 0.381803 GPRESSAVG: 717800 14.2105 32.6479 34.9935 32.7553 50.541 1.82299 32.8441 2.81688 -0.391765 TIMING: 717800 CPU: 2138.5, 0.00297094/step Wall: 2138.5, 0.00297094/step, 3.53393 hours remaining, 206.496094 MB of memory in use. ENERGY: 717800 762.4878 2062.9366 1940.2854 112.4526 -206356.4195 17638.0863 0.0000 0.0000 34126.5317 -149713.6391 298.0355 -183840.1708 -149618.2274 297.5692 -233.5207 -202.1287 557830.8699 21.4988 21.4533 PRESSURE: 718000 117.595 -46.2077 105.573 -46.2078 -21.6605 -14.4935 105.573 -14.4933 -75.8494 GPRESSURE: 718000 171.772 -99.3138 98.9783 33.7272 -50.9578 98.9764 98.1159 14.3886 -0.516203 PRESSAVG: 718000 -5.3683 -12.1462 42.8072 -12.1463 22.2036 -25.3604 42.8072 -25.3604 -39.8083 GPRESSAVG: 718000 -5.45268 -13.8318 41.6661 -8.97578 22.589 -24.9271 41.9608 -25.1992 -39.7002 TIMING: 718000 CPU: 2139.09, 0.00297202/step Wall: 2139.09, 0.00297202/step, 3.53505 hours remaining, 206.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 718000 694.3379 2017.3529 1940.2050 111.0995 -207092.3219 18227.6861 0.0000 0.0000 34229.9027 -149871.7378 298.9383 -184101.6404 -149774.4330 297.5116 6.6950 40.0994 558127.5820 -7.6577 -7.5213 PRESSURE: 718200 -199.07 -46.7728 -45.4838 -46.7732 -184.273 -111.366 -45.4834 -111.368 -140.357 GPRESSURE: 718200 -162 -44.7342 -25.1722 45.2725 -166.177 -24.599 -81.811 -139.719 -107.995 PRESSAVG: 718200 17.3115 -11.4235 62.1759 -11.4235 -27.1835 -54.4978 62.1758 -54.4978 45.451 GPRESSAVG: 718200 16.1718 -10.9855 63.4302 -14.6601 -27.2283 -53.4724 59.7735 -56.2159 46.7429 TIMING: 718200 CPU: 2139.69, 0.00297107/step Wall: 2139.69, 0.00297107/step, 3.53376 hours remaining, 206.496094 MB of memory in use. ENERGY: 718200 737.4344 2099.6040 1956.3462 112.9964 -206163.7211 17603.6399 0.0000 0.0000 33936.3845 -149717.3156 296.3749 -183653.7002 -149621.7977 297.5864 -174.5668 -145.3907 557842.2376 11.8597 11.8955 PRESSURE: 718400 13.6534 -167.135 -134.876 -167.135 65.329 93.6373 -134.876 93.6372 -99.9466 GPRESSURE: 718400 28.2317 -194.49 -118.897 -121.214 53.7564 105.576 -71.6263 47.546 -21.3945 PRESSAVG: 718400 -12.588 5.54091 -30.4098 5.54084 -53.2327 -50.2295 -30.4097 -50.2295 24.5439 GPRESSAVG: 718400 -11.2288 6.60648 -31.6976 7.86982 -54.2805 -48.7767 -28.0524 -49.0803 24.1377 TIMING: 718400 CPU: 2140.28, 0.00298052/step Wall: 2140.28, 0.00298052/step, 3.54483 hours remaining, 206.496094 MB of memory in use. ENERGY: 718400 734.6076 2100.6777 1941.9739 122.4909 -206458.5601 17800.9824 0.0000 0.0000 34124.5169 -149633.3108 298.0179 -183757.8277 -149531.0569 297.7273 -6.9881 20.1979 557665.0066 -13.7589 -13.7905 PRESSURE: 718600 -9.22012 38.9183 -38.9273 38.9188 -166.914 -50.6405 -38.9272 -50.6386 -261.458 GPRESSURE: 718600 55.9687 -0.617927 -32.7382 75.1194 -186.858 -48.0941 54.3846 -73.9295 -218.175 PRESSAVG: 718600 -27.0564 19.633 46.1369 19.633 -32.6239 -36.473 46.137 -36.4729 6.29099 GPRESSAVG: 718600 -26.1674 20.4592 46.9997 19.34 -32.9927 -37.865 46.296 -36.2294 5.43116 TIMING: 718600 CPU: 2140.88, 0.00299617/step Wall: 2140.88, 0.00299617/step, 3.56328 hours remaining, 206.496094 MB of memory in use. ENERGY: 718600 731.2903 2103.2172 1934.7469 113.0445 -206555.0296 17679.9533 0.0000 0.0000 34194.1898 -149798.5876 298.6264 -183992.7773 -149704.9776 298.2889 -145.8640 -116.3548 555831.3338 -17.7965 -17.9097 PRESSURE: 718800 -274.511 -8.21584 -81.1743 -8.21437 -93.0431 31.2822 -81.174 31.2804 203.882 GPRESSURE: 718800 -236.013 36.1269 -135.647 -55.5552 -46.2068 39.0164 -39.7682 48.3668 215.798 PRESSAVG: 718800 34.622 61.8507 -30.3147 61.8507 9.99908 -22.5628 -30.3146 -22.5627 -5.88988 GPRESSAVG: 718800 32.5471 60.2642 -31.1329 62.3843 12.5713 -23.9895 -30.0078 -24.5965 -5.86109 TIMING: 718800 CPU: 2141.48, 0.00298121/step Wall: 2141.48, 0.00298121/step, 3.54532 hours remaining, 206.496094 MB of memory in use. ENERGY: 718800 738.7842 2075.3900 1926.9760 110.0908 -206533.2659 17835.5761 0.0000 0.0000 34313.1042 -149533.3447 299.6649 -183846.4489 -149435.9954 298.6102 -54.5573 -22.1406 555229.4068 12.9104 13.0858 PRESSURE: 719000 -37.4508 -135.868 23.6721 -135.869 87.78 55.0827 23.6718 55.0834 117.162 GPRESSURE: 719000 23.6795 -169.321 -15.3382 -85.9222 93.6433 150.095 15.7436 -56.0498 153.539 PRESSAVG: 719000 21.1457 15.178 -16.2869 15.178 52.9122 -9.3912 -16.2869 -9.39133 -110.074 GPRESSAVG: 719000 20.4602 15.0556 -15.9868 14.3198 52.5436 -7.00397 -16.7701 -8.53449 -108.764 TIMING: 719000 CPU: 2142.08, 0.00299498/step Wall: 2142.08, 0.00299498/step, 3.56153 hours remaining, 206.496094 MB of memory in use. ENERGY: 719000 783.9970 2080.9201 1932.5617 121.5524 -206585.6339 17993.9246 0.0000 0.0000 34084.2129 -149588.4653 297.6659 -183672.6782 -149489.4491 298.1041 55.8306 90.2872 555398.0144 -12.0053 -11.9200 PRESSURE: 719200 -103.217 107.331 60.842 107.33 -118.731 -90.6904 60.8415 -90.6916 -115.541 GPRESSURE: 719200 -60.6903 195.069 95.3176 18.695 -90.5437 -145.655 22.2104 -68.7494 -86.4455 PRESSAVG: 719200 -22.127 0.981761 -2.32587 0.981736 11.6516 -15.7969 -2.32585 -15.7969 -8.44762 GPRESSAVG: 719200 -21.6302 2.15268 -1.67381 0.388518 10.2493 -17.389 -2.23033 -14.1886 -8.05757 TIMING: 719200 CPU: 2142.67, 0.00297387/step Wall: 2142.67, 0.00297387/step, 3.53626 hours remaining, 206.496094 MB of memory in use. ENERGY: 719200 735.9789 2115.4922 1932.5316 120.7055 -206402.2768 17647.9399 0.0000 0.0000 34217.9255 -149631.7031 298.8337 -183849.6286 -149539.3609 299.1182 -112.4963 -79.2265 555156.5783 -6.3077 -6.4795 PRESSURE: 719400 44.2425 -16.1659 1.14193 -16.1661 -363.66 159.466 1.14131 159.465 -160.107 GPRESSURE: 719400 100.307 -35.7773 -44.0767 42.1977 -329.264 217.649 17.2634 114.94 -148.738 PRESSAVG: 719400 -30.8556 9.03371 -2.54063 9.03364 -2.29332 32.6504 -2.54067 32.6504 46.5658 GPRESSAVG: 719400 -30.8946 9.25415 -1.81656 7.45671 -1.30502 32.7734 -3.31212 32.1584 45.6749 TIMING: 719400 CPU: 2143.27, 0.0029639/step Wall: 2143.27, 0.0029639/step, 3.52424 hours remaining, 206.496094 MB of memory in use. ENERGY: 719400 747.3990 2137.1604 1953.6971 110.3400 -205868.3915 17355.9293 0.0000 0.0000 34142.3087 -149421.5571 298.1733 -183563.8658 -149327.9062 298.8465 -159.8417 -125.8982 555960.7180 4.4723 4.4917 PRESSURE: 719600 -81.223 -45.3347 4.4923 -45.3329 -192.934 -5.89663 4.49358 -5.89531 76.6355 GPRESSURE: 719600 -52.0811 -8.23204 -25.7365 37.1833 -145.527 1.01482 50.4071 5.41704 90.2338 PRESSAVG: 719600 19.7242 -56.152 -18.6312 -56.1521 -23.4283 29.7554 -18.6312 29.7553 1.18617 GPRESSAVG: 719600 19.1964 -56.4389 -20.3631 -54.7359 -21.9971 27.3938 -16.1346 32.5685 0.150333 TIMING: 719600 CPU: 2143.86, 0.00297692/step Wall: 2143.86, 0.00297692/step, 3.53956 hours remaining, 206.496094 MB of memory in use. ENERGY: 719600 731.3556 2125.2112 1923.8009 110.2752 -206262.1502 17725.5269 0.0000 0.0000 34247.1718 -149398.8087 299.0891 -183645.9804 -149298.4172 299.3238 -65.8404 -35.7915 557788.8601 -0.8393 -0.8834 PRESSURE: 719800 -0.892217 170.342 -43.4225 170.342 -90.2571 124.958 -43.4226 124.959 -8.85991 GPRESSURE: 719800 17.1143 101.415 -101.875 227.931 -86.718 162.517 2.66871 101.172 64.4453 PRESSAVG: 719800 -4.53053 -2.96402 -69.9009 -2.96393 3.1097 33.491 -69.9008 33.491 29.1831 GPRESSAVG: 719800 -4.05124 -1.5277 -68.0842 -4.05875 1.46952 36.9541 -71.9011 29.3607 30.2506 TIMING: 719800 CPU: 2144.45, 0.00296305/step Wall: 2144.45, 0.00296305/step, 3.5229 hours remaining, 206.496094 MB of memory in use. ENERGY: 719800 771.9382 2140.3234 1947.0166 103.6205 -206663.5704 17855.3205 0.0000 0.0000 34432.1300 -149413.2211 300.7044 -183845.3511 -149325.2824 298.9186 -33.3364 -1.7195 557017.7214 9.2541 9.2229 PRESSURE: 720000 74.7258 65.2595 72.9872 65.2586 -235.952 34.7458 72.9877 34.7466 -108.822 GPRESSURE: 720000 154.271 -22.3528 136.226 154.103 -194.397 49.6851 62.965 59.2683 -130.073 PRESSAVG: 720000 -68.4662 11.8443 -15.9341 11.8444 -3.32014 6.40608 -15.934 6.40613 67.7298 GPRESSAVG: 720000 -69.1224 8.51888 -15.6032 15.7142 -4.03214 5.60551 -16.8193 7.74018 68.7123 TIMING: 720000 CPU: 2145.05, 0.00298101/step Wall: 2145.05, 0.00298101/step, 3.54409 hours remaining, 206.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 720000 743.5852 2123.7698 1974.0090 112.8934 -206256.9967 17785.1685 0.0000 0.0000 33941.1119 -149576.4588 296.4162 -183517.5707 -149481.4455 298.5699 -90.0162 -56.7329 558567.1098 -1.3522 -1.4808 PRESSURE: 720200 -22.1382 -68.1827 12.2932 -68.1826 -67.4387 -86.1641 12.2924 -86.1644 -24.5441 GPRESSURE: 720200 -29.0275 -39.6862 34.362 -104.285 32.4298 -122.437 -83.1164 -27.9157 -25.4354 PRESSAVG: 720200 -69.2524 30.3135 -10.5115 30.3134 12.8654 -17.6204 -10.5115 -17.6203 78.7251 GPRESSAVG: 720200 -68.6262 29.9186 -10.6708 28.9659 14.2646 -18.3213 -10.3267 -18.0418 76.8591 TIMING: 720200 CPU: 2145.64, 0.00297638/step Wall: 2145.64, 0.00297638/step, 3.53842 hours remaining, 206.496094 MB of memory in use. ENERGY: 720200 779.3034 2132.0232 1919.2216 105.4559 -206691.6362 18041.2692 0.0000 0.0000 34193.2339 -149521.1290 298.6180 -183714.3628 -149424.1406 298.4392 -38.0403 -7.3444 557516.7896 7.4460 7.4992 LDB: ============= START OF LOAD BALANCING ============== 2149.2 LDB: ============== END OF LOAD BALANCING =============== 2149.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2149.2 LDB: ============= START OF LOAD BALANCING ============== 2149.5 LDB: Largest compute 4773 load 0.026733 is 22.6% of average load 0.118087 LDB: Average compute 0.001729 is 1.5% of average load 0.118087 LDB: TIME 2149.5 LOAD: AVG 0.118087 MAX 0.207152 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.266 MB LDB: TIME 2149.5 LOAD: AVG 0.118087 MAX 0.207152 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.465 MB LDB: TIME 2149.5 LOAD: AVG 0.118087 MAX 0.207152 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.465 MB LDB: ============== END OF LOAD BALANCING =============== 2149.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2149.5 PRESSURE: 720400 14.6195 44.478 -163.504 44.4783 25.0409 56.3305 -163.504 56.3322 282.953 GPRESSURE: 720400 56.5178 68.6315 -177.665 96.6784 88.9938 61.8227 -162.003 29.8488 269.906 PRESSAVG: 720400 -8.0693 21.9894 2.19891 21.9894 -6.37838 -8.73144 2.19886 -8.73147 31.4869 GPRESSAVG: 720400 -7.71613 24.7683 2.88859 23.6269 -6.26366 -7.06901 2.04375 -7.65956 30.8647 TIMING: 720400 CPU: 2146.25, 0.00304894/step Wall: 2146.25, 0.00304894/step, 3.62451 hours remaining, 207.265625 MB of memory in use. ENERGY: 720400 758.5296 2068.3180 1915.8848 101.2109 -206695.9934 17981.1439 0.0000 0.0000 34377.5234 -149493.3828 300.2275 -183870.9063 -149401.2458 298.4349 107.5377 138.4725 556055.2628 5.6797 5.6283 PRESSURE: 720600 117.783 111.664 -83.1653 111.664 -71.7505 -112.913 -83.1641 -112.913 -16.1049 GPRESSURE: 720600 167.317 122.022 -54.2834 124.468 -38.7828 -84.2232 -131.673 -135.94 -8.77987 PRESSAVG: 720600 -26.0251 32.9794 -34.6046 32.9794 41.838 4.71502 -34.6046 4.71491 -0.573718 GPRESSAVG: 720600 -27.2265 34.1762 -35.7896 30.3211 40.2625 3.0856 -32.3344 4.0384 1.62494 TIMING: 720600 CPU: 2146.85, 0.00297935/step Wall: 2146.85, 0.00297935/step, 3.54162 hours remaining, 207.265625 MB of memory in use. ENERGY: 720600 737.5317 2059.0555 1929.9225 126.6156 -206374.2682 17703.4428 0.0000 0.0000 34303.4667 -149514.2335 299.5807 -183817.7001 -149417.3444 298.3769 9.9758 39.9181 556983.0979 5.0797 4.8870 PRESSURE: 720800 -7.97252 100.72 110.683 100.72 13.5579 42.4633 110.682 42.4644 -345.585 GPRESSURE: 720800 5.78951 120.684 161.409 5.19307 66.4517 160.402 107.898 21.9503 -310.826 PRESSAVG: 720800 13.0801 -19.0199 -24.0159 -19.02 86.5831 46.1051 -24.0158 46.1049 -77.8621 GPRESSAVG: 720800 12.9083 -20.3045 -22.7815 -18.2453 87.0751 47.0735 -25.7364 45.4519 -78.1215 TIMING: 720800 CPU: 2147.45, 0.00299756/step Wall: 2147.45, 0.00299756/step, 3.5631 hours remaining, 207.265625 MB of memory in use. ENERGY: 720800 758.7240 2040.8021 1956.6053 121.5030 -206361.2668 17907.7955 0.0000 0.0000 34122.1728 -149453.6642 297.9974 -183575.8370 -149362.6020 299.3013 -113.3331 -79.5284 559364.1699 7.2671 7.2873 PRESSURE: 721000 -137.408 -127.297 108.544 -127.298 16.9766 -109.139 108.543 -109.14 21.7856 GPRESSURE: 721000 -128.273 -84.2049 84.5304 -139.527 39.9342 -89.1882 149.392 -96.6036 90.9486 PRESSAVG: 721000 25.8007 -63.2495 -12.7404 -63.2494 -65.3784 51.7311 -12.7404 51.7311 -11.8214 GPRESSAVG: 721000 26.5256 -62.763 -12.1549 -62.1199 -66.1878 52.0751 -14.3991 52.771 -11.8085 TIMING: 721000 CPU: 2148.04, 0.00295704/step Wall: 2148.04, 0.00295704/step, 3.51477 hours remaining, 207.265625 MB of memory in use. ENERGY: 721000 765.5781 2061.5332 1938.2327 107.5472 -206753.2501 18087.9192 0.0000 0.0000 34342.8534 -149449.5863 299.9247 -183792.4397 -149361.7433 298.4782 -32.8819 0.8698 558390.4552 -17.1330 -17.1569 PRESSURE: 721200 -74.1561 -21.2015 78.6256 -21.2009 -271.008 -65.1977 78.6249 -65.1978 195.337 GPRESSURE: 721200 -69.068 11.7954 85.2843 -15.7542 -225.153 -50.6576 99.2709 -51.7907 246.862 PRESSAVG: 721200 -33.8407 -10.5323 -22.247 -10.5323 1.93051 5.45569 -22.247 5.45567 18.5383 GPRESSAVG: 721200 -34.4253 -10.9852 -23.1424 -9.67257 2.6474 3.73745 -20.223 4.71518 17.9612 TIMING: 721200 CPU: 2148.64, 0.00297325/step Wall: 2148.64, 0.00297325/step, 3.53387 hours remaining, 207.265625 MB of memory in use. ENERGY: 721200 742.4975 2081.5496 1901.5014 115.6759 -206245.7948 17703.8830 0.0000 0.0000 34039.0649 -149661.6226 297.2716 -183700.6875 -149566.5120 297.7577 -49.9425 -15.7866 558730.6885 -4.4573 -4.6056 PRESSURE: 721400 44.5504 91.4877 -3.73593 91.4879 68.7899 40.0657 -3.73576 40.0649 48.2393 GPRESSURE: 721400 139.07 91.5674 90.2198 128.137 1.60239 109.433 -62.9959 21.4257 112.66 PRESSAVG: 721400 18.6201 -5.84671 9.86329 -5.84668 -36.3663 28.4149 9.8632 28.415 10.1216 GPRESSAVG: 721400 19.2705 -4.97643 8.54161 -8.25884 -37.2077 27.9851 10.2926 28.1456 10.48 TIMING: 721400 CPU: 2149.23, 0.0029803/step Wall: 2149.23, 0.0029803/step, 3.54209 hours remaining, 207.265625 MB of memory in use. ENERGY: 721400 751.1698 2036.7713 1912.5174 111.4585 -206598.4478 17882.7480 0.0000 0.0000 34158.1831 -149745.5999 298.3119 -183903.7829 -149647.8758 297.0406 53.8599 84.4441 556876.1852 -2.5415 -2.4857 PRESSURE: 721600 -329.512 -39.2133 69.1824 -39.2134 -12.7071 253.107 69.1826 253.107 -6.38422 GPRESSURE: 721600 -275.331 -32.6804 95.8449 -18.0029 -4.18345 229.948 71.5583 209.13 22.1302 PRESSAVG: 721600 -25.1965 28.3953 34.185 28.3953 -54.5798 -33.8521 34.1849 -33.8521 45.2749 GPRESSAVG: 721600 -25.5362 28.6094 34.6176 28.627 -53.2855 -30.9103 32.4675 -34.2448 44.6478 TIMING: 721600 CPU: 2149.83, 0.00299356/step Wall: 2149.83, 0.00299356/step, 3.55768 hours remaining, 207.265625 MB of memory in use. ENERGY: 721600 739.3531 2027.9175 1912.0027 116.7882 -206896.6654 17892.0108 0.0000 0.0000 34278.9365 -149929.6566 299.3665 -184208.5931 -149831.2139 297.8503 -116.2011 -85.7947 556771.9554 -11.5005 -11.3913 PRESSURE: 721800 283.102 23.7685 -36.1848 23.7684 160.895 -116.776 -36.1836 -116.777 -153.257 GPRESSURE: 721800 306.468 -19.6498 -41.9654 -30.5083 160.788 -81.3907 -0.813092 -120.874 -80.7137 PRESSAVG: 721800 -26.1964 21.4171 -13.5131 21.4171 26.3298 -7.85146 -13.5132 -7.85139 19.6686 GPRESSAVG: 721800 -26.3376 20.4612 -11.9618 23.2674 27.0177 -9.84632 -14.0329 -7.15165 19.2209 TIMING: 721800 CPU: 2150.43, 0.00298245/step Wall: 2150.43, 0.00298245/step, 3.54431 hours remaining, 207.265625 MB of memory in use. ENERGY: 721800 717.7944 2050.1430 1931.4721 114.9152 -206721.6449 18073.5184 0.0000 0.0000 33971.1863 -149862.6154 296.6788 -183833.8017 -149767.8417 297.2184 96.9133 128.8475 556588.6146 6.6006 6.6337 PRESSURE: 722000 130.935 156.082 58.5908 156.083 20.8354 -6.16208 58.5888 -6.16238 -332.98 GPRESSURE: 722000 146.552 181.952 100.09 222.71 21.8165 18.6196 -29.0243 -29.5118 -265.608 PRESSAVG: 722000 6.33264 28.0504 26.6637 28.0504 24.369 2.56194 26.6637 2.56185 -28.5746 GPRESSAVG: 722000 5.93566 28.809 24.8346 26.7961 23.6872 0.579478 28.505 4.71954 -27.1571 TIMING: 722000 CPU: 2151.02, 0.00296927/step Wall: 2151.02, 0.00296927/step, 3.52849 hours remaining, 207.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 722000 739.3237 2127.9459 1941.1544 109.8513 -206700.4033 18084.6788 0.0000 0.0000 33824.8289 -149872.6203 295.4006 -183697.4492 -149783.0319 297.3454 -60.4030 -32.4131 558181.9162 0.7090 0.8219 PRESSURE: 722200 116.345 -78.1929 -154.062 -78.1933 215.471 -18.39 -154.062 -18.3899 27.6787 GPRESSURE: 722200 98.0092 -61.8038 -192.065 -121.362 237.208 -11.4576 -139.084 -40.6345 130.256 PRESSAVG: 722200 37.3998 21.1705 2.18869 21.1706 6.0031 27.7391 2.18871 27.7392 -54.314 GPRESSAVG: 722200 38.5619 19.6706 2.61853 21.3575 5.80437 31.0016 3.48745 25.1895 -55.4842 TIMING: 722200 CPU: 2151.61, 0.00296625/step Wall: 2151.61, 0.00296625/step, 3.52473 hours remaining, 207.265625 MB of memory in use. ENERGY: 722200 753.5040 2083.6964 1920.7050 110.8471 -206834.2419 18096.5913 0.0000 0.0000 34177.6689 -149691.2292 298.4821 -183868.8981 -149593.2090 297.4477 119.8314 155.1577 557745.8458 -3.6370 -3.7060 PRESSURE: 722400 64.9766 30.3598 100.345 30.3613 157.622 37.9621 100.345 37.9617 335.078 GPRESSURE: 722400 43.7735 52.0481 83.3373 92.7948 231.717 -50.0112 167.232 -43.0381 381.231 PRESSAVG: 722400 -18.292 2.38565 -9.40381 2.38571 -23.2219 79.3669 -9.40384 79.3669 31.0489 GPRESSAVG: 722400 -18.8066 4.00546 -9.32561 -0.4537 -21.7167 77.0296 -9.91588 80.4691 29.9162 TIMING: 722400 CPU: 2152.21, 0.00295585/step Wall: 2152.21, 0.00295585/step, 3.5122 hours remaining, 207.265625 MB of memory in use. ENERGY: 722400 749.3231 2089.9802 1902.1887 110.5791 -206805.3297 18222.5794 0.0000 0.0000 34129.6562 -149601.0229 298.0628 -183730.6791 -149509.4987 298.2238 185.8921 218.9074 558454.2846 -3.4883 -3.5357 PRESSURE: 722600 8.12032 39.9932 126.16 39.9934 -22.1981 -36.7906 126.16 -36.7905 -60.0862 GPRESSURE: 722600 51.0774 41.5611 169.309 75.8059 -11.6617 53.314 76.195 -29.6089 -23.7828 PRESSAVG: 722600 12.0078 55.5266 28.6326 55.5265 19.1769 35.7956 28.6327 35.7956 -36.3059 GPRESSAVG: 722600 13.4437 54.7368 29.0271 58.748 16.9448 35.9343 26.6123 37.9502 -34.8094 TIMING: 722600 CPU: 2152.8, 0.00297008/step Wall: 2152.8, 0.00297008/step, 3.52896 hours remaining, 207.265625 MB of memory in use. ENERGY: 722600 724.3002 2065.3705 1924.1164 106.1860 -206377.5716 17859.1231 0.0000 0.0000 34178.4862 -149519.9892 298.4892 -183698.4754 -149430.7286 298.0762 -24.7213 5.2110 558143.4174 -1.7071 -1.4737 PRESSURE: 722800 93.4083 20.4452 122.048 20.4461 -54.9401 31.2115 122.047 31.213 291.798 GPRESSURE: 722800 99.813 89.3402 12.3155 -55.5734 5.61391 7.60961 124.323 81.4501 314.484 PRESSAVG: 722800 -1.38102 -2.48556 31.2609 -2.48573 28.2868 6.02173 31.2609 6.02182 -2.31452 GPRESSAVG: 722800 -2.20126 -3.46482 32.1638 -4.46342 29.5372 7.19612 31.2085 4.4061 -3.0066 TIMING: 722800 CPU: 2153.39, 0.00296274/step Wall: 2153.39, 0.00296274/step, 3.52006 hours remaining, 207.265625 MB of memory in use. ENERGY: 722800 692.9012 2065.8540 1942.5892 119.5640 -206447.6937 17849.0988 0.0000 0.0000 34319.8150 -149457.8716 299.7235 -183777.6866 -149370.6459 298.3239 110.0886 139.9702 556833.5662 8.1971 8.1098 PRESSURE: 723000 9.74086 -308.72 -22.9412 -308.72 -6.34954 119.447 -22.9402 119.448 -133.944 GPRESSURE: 723000 31.5459 -348.847 3.37607 -285.56 -2.40905 187.302 2.24642 116.114 -72.6073 PRESSAVG: 723000 20.0717 31.3996 6.60715 31.3996 -6.12764 18.1409 6.60715 18.1409 45.9532 GPRESSAVG: 723000 20.6297 32.1289 5.27648 31.8928 -7.07334 16.7712 7.87322 17.7211 45.7984 TIMING: 723000 CPU: 2153.99, 0.00296798/step Wall: 2153.99, 0.00296798/step, 3.52613 hours remaining, 207.265625 MB of memory in use. ENERGY: 723000 729.5264 2114.6634 1922.1506 108.1349 -206221.8631 17644.7762 0.0000 0.0000 34080.0631 -149622.5484 297.6297 -183702.6115 -149517.5372 298.7114 -43.5177 -14.4901 556466.0725 19.9657 19.7849 PRESSURE: 723200 -163.983 -89.4004 63.9858 -89.3994 -367.755 87.6303 63.9859 87.6295 -11.4832 GPRESSURE: 723200 -122.387 -44.8606 82.8392 -79.4053 -283.147 123.285 125.836 101.761 -54.6085 PRESSAVG: 723200 13.1511 -25.6301 33.5093 -25.6301 -23.9218 11.9244 33.5093 11.9244 15.0391 GPRESSAVG: 723200 13.3789 -25.2432 34.5672 -25.7407 -24.1843 12.6781 34.2675 11.6704 14.6371 TIMING: 723200 CPU: 2154.58, 0.00297256/step Wall: 2154.58, 0.00297256/step, 3.5314 hours remaining, 207.265625 MB of memory in use. ENERGY: 723200 743.1692 2151.6018 1895.1112 124.6589 -206390.8663 17643.9495 0.0000 0.0000 34190.0526 -149642.3233 298.5902 -183832.3759 -149544.4858 298.5387 -181.0738 -153.3809 556500.1320 1.4228 1.2772 PRESSURE: 723400 -93.18 -12.0768 140.964 -12.0759 129.788 56.7068 140.964 56.7078 7.03304 GPRESSURE: 723400 -53.2859 -69.3951 111.622 43.3502 144.42 43.1388 115.212 118.281 60.184 PRESSAVG: 723400 1.67996 21.062 18.4653 21.0619 4.5359 -26.4709 18.4653 -26.4709 -29.0296 GPRESSAVG: 723400 0.826789 20.6226 20.8817 22.1477 4.8987 -23.7309 14.0284 -27.7314 -28.2573 TIMING: 723400 CPU: 2155.17, 0.002956/step Wall: 2155.17, 0.002956/step, 3.51156 hours remaining, 207.265625 MB of memory in use. ENERGY: 723400 726.7835 2149.9060 1925.1272 113.4812 -206568.9104 17904.1971 0.0000 0.0000 34333.8756 -149415.5398 299.8463 -183749.4153 -149316.6347 298.3876 14.5471 50.4392 557630.1214 -7.6046 -7.5106 PRESSURE: 723600 -36.148 -7.10013 114.998 -7.09985 91.9698 99.0497 114.997 99.0497 -31.4751 GPRESSURE: 723600 36.8575 12.85 175.041 -67.5834 99.5186 66.7176 109.474 94.3501 -10.0217 PRESSAVG: 723600 -96.3367 -4.15696 59.4234 -4.15702 48.6728 -44.485 59.4233 -44.4849 62.6927 GPRESSAVG: 723600 -95.9418 -5.80657 59.1807 -6.0017 49.0683 -44.9878 61.3555 -45.2329 62.2186 TIMING: 723600 CPU: 2155.77, 0.00299518/step Wall: 2155.77, 0.00299518/step, 3.55794 hours remaining, 207.265625 MB of memory in use. ENERGY: 723600 764.4227 2112.4138 1948.8000 99.0363 -206894.7150 18060.1530 0.0000 0.0000 34358.7779 -149551.1114 300.0638 -183909.8893 -149455.2535 298.7403 8.1156 42.1182 556536.2023 5.0096 5.1150 PRESSURE: 723800 -1.56043 -43.9488 233.769 -43.9493 11.4827 45.9997 233.769 46.0013 -221.39 GPRESSURE: 723800 23.2711 -59.8954 320.842 -55.3648 11.8122 23.2098 128.863 56.2688 -145.856 PRESSAVG: 723800 -16.6489 34.6922 23.0616 34.6921 -12.7751 21.596 23.0616 21.5959 3.07273 GPRESSAVG: 723800 -17.0164 36.9601 20.8076 36.1644 -11.9224 18.9757 24.1868 24.0339 2.44047 TIMING: 723800 CPU: 2156.37, 0.00299784/step Wall: 2156.37, 0.00299784/step, 3.56094 hours remaining, 207.265625 MB of memory in use. ENERGY: 723800 716.7560 2077.2376 1919.8887 116.1166 -206534.7502 17856.7992 0.0000 0.0000 33999.4183 -149848.5338 296.9254 -183847.9521 -149751.8693 297.7466 -70.4894 -36.9242 557733.7947 -8.7838 -8.8328 PRESSURE: 724000 195.366 138.329 -138.244 138.329 79.182 -83.2772 -138.245 -83.2771 78.3368 GPRESSURE: 724000 174.704 95.6758 -201.798 235.235 162.798 -88.8974 -127.551 -16.5487 114.885 PRESSAVG: 724000 -1.81415 -19.7426 34.7803 -19.7426 25.0427 -39.1212 34.7803 -39.1212 20.7623 GPRESSAVG: 724000 -2.09473 -20.767 33.6359 -19.7625 24.4549 -36.2052 34.8624 -41.1278 21.8977 TIMING: 724000 CPU: 2156.97, 0.00298489/step Wall: 2156.97, 0.00298489/step, 3.54539 hours remaining, 207.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 724000 721.6352 2123.9801 1935.1642 119.1208 -206775.4458 18108.7017 0.0000 0.0000 33987.1903 -149779.6536 296.8186 -183766.8439 -149695.4966 297.8113 117.6282 150.7960 557916.9447 14.6636 14.7526 PRESSURE: 724200 49.5474 58.6967 15.3211 58.6973 -133.229 -191.187 15.3215 -191.187 -287.071 GPRESSURE: 724200 69.898 72.3708 -14.179 46.7343 -90.8973 -158.802 81.7293 -228.966 -259.336 PRESSAVG: 724200 37.6772 26.8877 39.4776 26.8877 -3.19285 -7.78969 39.4776 -7.78972 -26.64 GPRESSAVG: 724200 37.3908 27.7113 41.5225 26.0207 -3.74188 -6.68642 39.239 -7.51925 -25.4851 TIMING: 724200 CPU: 2157.57, 0.00299188/step Wall: 2157.57, 0.00299188/step, 3.55352 hours remaining, 207.265625 MB of memory in use. ENERGY: 724200 722.8467 2092.3467 1929.6633 125.7554 -206687.3800 17861.5696 0.0000 0.0000 34283.2532 -149671.9453 299.4042 -183955.1985 -149578.4963 298.5642 -123.5840 -93.4450 557494.8678 2.6148 2.7213 LDB: ============= START OF LOAD BALANCING ============== 2161.11 LDB: ============== END OF LOAD BALANCING =============== 2161.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2161.11 LDB: ============= START OF LOAD BALANCING ============== 2161.41 LDB: Largest compute 4795 load 0.026656 is 22.6% of average load 0.118085 LDB: Average compute 0.001740 is 1.5% of average load 0.118085 LDB: TIME 2161.42 LOAD: AVG 0.118085 MAX 0.206259 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.293 MB LDB: TIME 2161.42 LOAD: AVG 0.118085 MAX 0.206259 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.293 MB LDB: TIME 2161.42 LOAD: AVG 0.118085 MAX 0.206259 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.293 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2161.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2161.42 PRESSURE: 724400 65.4566 -102.844 66.6469 -102.845 16.4905 30.4201 66.6469 30.4199 -1.37663 GPRESSURE: 724400 127.769 -178.192 48.9344 -98.9646 49.7423 72.8988 18.5595 -6.68859 -0.0183824 PRESSAVG: 724400 31.367 -9.68807 20.5087 -9.68809 35.4783 -8.10775 20.5086 -8.10778 -25.7169 GPRESSAVG: 724400 31.5024 -10.4503 19.6714 -10.4696 36.1725 -10.5964 19.3253 -5.74144 -26.8057 TIMING: 724400 CPU: 2158.17, 0.00303867/step Wall: 2158.17, 0.00303867/step, 3.60893 hours remaining, 207.578125 MB of memory in use. ENERGY: 724400 741.8196 2108.3381 1934.3975 111.3295 -206708.3473 18093.3714 0.0000 0.0000 34015.7583 -149703.3327 297.0681 -183719.0911 -149604.3093 298.7123 26.8568 59.1641 558016.0475 13.7095 13.6231 PRESSURE: 724600 167.042 138.329 144.377 138.329 -87.2523 51.76 144.377 51.7593 214.503 GPRESSURE: 724600 194.205 82.2945 112.494 167.974 -108.664 81.1313 150.825 96.9697 307.344 PRESSAVG: 724600 -6.5712 -19.7063 39.3393 -19.7063 -26.4819 46.3995 39.3394 46.3995 15.9808 GPRESSAVG: 724600 -6.27584 -18.9396 40.0312 -18.804 -27.2111 47.3794 39.8948 45.9542 16.3948 TIMING: 724600 CPU: 2158.77, 0.00299833/step Wall: 2158.77, 0.00299833/step, 3.56085 hours remaining, 207.578125 MB of memory in use. ENERGY: 724600 697.9387 2032.3136 1927.8543 126.0122 -206499.3495 18100.2099 0.0000 0.0000 34056.9016 -149558.1192 297.4274 -183615.0208 -149465.3797 298.4049 98.0974 130.9616 558503.6849 -5.6908 -5.6974 PRESSURE: 724800 18.6726 -8.57631 -32.9398 -8.57685 -70.2091 -3.60561 -32.9406 -3.60745 343.9 GPRESSURE: 724800 9.54638 12.662 -30.8024 -15.6169 9.1807 -79.5835 -190.265 30.5243 369.534 PRESSAVG: 724800 17.7702 -53.4728 18.0775 -53.4728 -11.3335 32.3725 18.0776 32.3726 59.5889 GPRESSAVG: 724800 17.7552 -55.127 18.3039 -51.8977 -10.1821 32.1641 17.2995 30.872 58.0747 TIMING: 724800 CPU: 2159.37, 0.00297945/step Wall: 2159.37, 0.00297945/step, 3.53826 hours remaining, 207.578125 MB of memory in use. ENERGY: 724800 730.5350 2107.7867 1905.2240 109.5300 -206522.8368 17953.6465 0.0000 0.0000 34280.0323 -149436.0823 299.3760 -183716.1146 -149348.2769 298.6755 97.4545 129.4202 556413.4599 22.0085 21.8826 PRESSURE: 725000 147.294 -39.7837 -119.373 -39.7833 -164.099 -8.24419 -119.373 -8.24198 14.4604 GPRESSURE: 725000 210.728 36.3243 -82.1019 -16.5066 -136.433 -26.8851 -138.95 -24.5028 27.9608 PRESSAVG: 725000 12.6089 -33.665 31.6653 -33.6651 -2.68728 32.3889 31.6653 32.3889 -12.6506 GPRESSAVG: 725000 11.0994 -32.8169 32.1485 -34.7785 -3.45576 32.2258 32.4321 34.6 -10.4243 TIMING: 725000 CPU: 2159.97, 0.00300781/step Wall: 2159.97, 0.00300781/step, 3.57178 hours remaining, 207.578125 MB of memory in use. ENERGY: 725000 713.4008 2088.0835 1927.0819 110.0304 -206277.2314 17872.2860 0.0000 0.0000 34105.9809 -149460.3680 297.8560 -183566.3489 -149368.0095 298.6607 -0.7814 34.0852 558099.1068 -0.9097 -0.9269 PRESSURE: 725200 -88.7922 158.831 -172.765 158.831 -246.014 155.025 -172.764 155.025 -465.897 GPRESSURE: 725200 -58.352 91.7859 -135.648 288.101 -316.074 243.074 -174.527 125.788 -325.016 PRESSAVG: 725200 -7.66321 33.2737 -4.24551 33.2736 -21.1949 29.0838 -4.24551 29.0838 -34.1314 GPRESSAVG: 725200 -7.83826 33.7282 -3.41713 32.993 -20.7164 28.9845 -4.51433 28.0081 -34.2113 TIMING: 725200 CPU: 2160.56, 0.00296547/step Wall: 2160.56, 0.00296547/step, 3.52133 hours remaining, 207.578125 MB of memory in use. ENERGY: 725200 723.3672 2077.4208 1939.8694 106.0479 -206191.4372 17547.9013 0.0000 0.0000 34308.2466 -149488.5840 299.6225 -183796.8306 -149396.1835 298.3555 -266.9010 -233.1475 559212.5209 -20.9965 -20.9220 PRESSURE: 725400 70.7958 -40.223 -40.1617 -40.2228 -56.2292 -136.14 -40.163 -136.141 -42.4481 GPRESSURE: 725400 123.707 -73.6555 -30.3403 -29.8342 -8.83229 -102.096 6.85034 -164.169 -50.371 PRESSAVG: 725400 -9.67651 54.7447 -24.2578 54.7446 42.8085 34.9296 -24.2579 34.9295 -37.1272 GPRESSAVG: 725400 -9.21376 52.9376 -26.8341 55.3544 42.0752 35.9405 -23.5078 34.0018 -37.2364 TIMING: 725400 CPU: 2161.16, 0.00297921/step Wall: 2161.16, 0.00297921/step, 3.53748 hours remaining, 207.578125 MB of memory in use. ENERGY: 725400 734.7927 2063.8596 1914.6526 111.1152 -206131.9530 17838.0464 0.0000 0.0000 34080.0255 -149389.4610 297.6293 -183469.4865 -149294.5573 298.6879 -9.2938 21.5014 558012.0702 -1.3317 -1.4583 PRESSURE: 725600 -189.726 31.6377 -2.81973 31.6375 -162.369 -132.087 -2.81916 -132.087 171.571 GPRESSURE: 725600 -112.913 -9.82106 -28.1372 29.6493 -136.878 -48.1657 46.7861 -227.715 156.899 PRESSAVG: 725600 21.8159 25.7938 -71.478 25.7937 36.1934 -26.851 -71.4781 -26.8511 -26.6568 GPRESSAVG: 725600 21.911 26.9541 -70.638 25.1436 37.4987 -28.3094 -70.7774 -23.7899 -28.3705 TIMING: 725600 CPU: 2161.75, 0.00296815/step Wall: 2161.75, 0.00296815/step, 3.52418 hours remaining, 207.578125 MB of memory in use. ENERGY: 725600 762.2876 2113.1590 1940.2671 102.6710 -206621.1246 17893.9149 0.0000 0.0000 34236.5580 -149572.2669 298.9964 -183808.8250 -149471.9977 297.9778 -60.1748 -30.9639 557341.8620 10.4508 10.3464 PRESSURE: 725800 -203.863 -28.0407 14.2102 -28.0409 -45.477 -33.7274 14.2111 -33.7277 -76.0747 GPRESSURE: 725800 -179.656 -13.6724 46.7151 10.608 -4.07624 -12.7202 -4.51815 -77.8467 -51.1149 PRESSAVG: 725800 15.2404 11.427 7.69163 11.427 -24.959 -24.202 7.69169 -24.202 -2.25591 GPRESSAVG: 725800 16.0572 14.1785 6.94561 10.1183 -25.0656 -22.619 8.18611 -27.0601 -3.13348 TIMING: 725800 CPU: 2162.34, 0.00294588/step Wall: 2162.34, 0.00294588/step, 3.49758 hours remaining, 207.578125 MB of memory in use. ENERGY: 725800 751.0266 2108.7476 1923.9337 119.2964 -206524.2447 17905.0787 0.0000 0.0000 34137.2510 -149578.9106 298.1291 -183716.1616 -149476.6443 297.6740 -108.4716 -78.2825 559050.4003 -3.9915 -4.0473 PRESSURE: 726000 121.463 -76.3858 -173.687 -76.386 -107.755 -1.16461 -173.688 -1.16657 173.803 GPRESSURE: 726000 215.246 -44.2635 -151.756 -108.385 -145.732 41.5133 -194.399 -10.8699 216.841 PRESSAVG: 726000 60.1993 38.3745 -29.5434 38.3743 -83.6768 37.6119 -29.5433 37.6119 2.71361 GPRESSAVG: 726000 59.7742 36.9757 -29.9505 39.5889 -84.8924 36.3078 -30.6186 37.679 4.7094 TIMING: 726000 CPU: 2162.94, 0.00298862/step Wall: 2162.94, 0.00298862/step, 3.54815 hours remaining, 207.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 726000 737.4773 2057.1193 1903.5425 107.1079 -206598.8088 17945.0103 0.0000 0.0000 34185.3294 -149663.2221 298.5490 -183848.5515 -149559.9642 298.1191 62.5037 95.4516 555911.2793 -6.9213 -6.8030 PRESSURE: 726200 -0.287072 -8.55263 -167.473 -8.55295 -28.7608 -65.4357 -167.474 -65.437 -127.377 GPRESSURE: 726200 -1.02011 -144.26 -108.596 109.807 -4.55823 -139.729 -187.312 -54.3272 -50.7023 PRESSAVG: 726200 76.5956 -18.4005 -40.9683 -18.4005 -87.2421 -0.180431 -40.9683 -0.180275 35.7599 GPRESSAVG: 726200 77.0629 -18.2352 -40.35 -17.9132 -87.5566 -1.33929 -40.6527 -0.294986 35.7881 TIMING: 726200 CPU: 2163.54, 0.00299571/step Wall: 2163.54, 0.00299571/step, 3.55641 hours remaining, 207.578125 MB of memory in use. ENERGY: 726200 699.5815 2090.7967 1920.4041 114.1822 -206079.1509 17648.0404 0.0000 0.0000 34245.9779 -149360.1681 299.0786 -183606.1460 -149264.3744 298.1352 -52.1415 -18.7602 557845.7445 8.3711 8.4315 PRESSURE: 726400 -9.34094 54.367 -16.5479 54.3683 68.4869 -37.5876 -16.5484 -37.5863 -132.231 GPRESSURE: 726400 -64.4126 41.9363 -39.7105 15.6255 162.647 41.8721 48.3739 -69.5177 -77.4964 PRESSAVG: 726400 12.6133 19.9833 -18.7652 19.9833 15.0542 -5.25126 -18.7653 -5.2513 17.7977 GPRESSAVG: 726400 11.3198 18.8069 -19.3892 17.7552 16.7884 -3.26218 -20.0617 -4.4065 17.4444 TIMING: 726400 CPU: 2164.14, 0.00300474/step Wall: 2164.14, 0.00300474/step, 3.56696 hours remaining, 207.578125 MB of memory in use. ENERGY: 726400 726.2171 2089.5567 1932.5377 108.3361 -206058.3376 17713.5816 0.0000 0.0000 34292.6852 -149195.4232 299.4865 -183488.1084 -149101.1469 299.5042 -24.3617 6.9128 558052.5052 15.1551 15.1842 PRESSURE: 726600 235.057 2.23719 -108.57 2.23836 28.6825 110.134 -108.568 110.136 253.563 GPRESSURE: 726600 215.923 87.2629 -83.3758 -80.9091 113.41 104.909 -190.527 90.8016 297.754 PRESSAVG: 726600 6.4015 47.0685 22.6861 47.0685 44.1913 -13.6743 22.6861 -13.6742 -23.8831 GPRESSAVG: 726600 6.06659 48.4186 24.8018 48.4944 44.1493 -14.4605 22.0267 -15.1889 -23.0196 TIMING: 726600 CPU: 2164.74, 0.00301968/step Wall: 2164.74, 0.00301968/step, 3.58452 hours remaining, 207.578125 MB of memory in use. ENERGY: 726600 763.5648 2074.6024 1899.9417 117.9161 -206361.8779 18108.6919 0.0000 0.0000 34278.4148 -149118.7462 299.3619 -183397.1610 -149024.4001 299.5051 172.4343 209.0290 557451.1186 8.9032 9.0654 PRESSURE: 726800 -245.706 -50.6989 -148.092 -50.7007 -245.052 -6.87029 -148.092 -6.8703 -325.065 GPRESSURE: 726800 -207.389 -124.654 -127.698 -35.1521 -255.133 -52.6595 -186.152 -11.7022 -246.211 PRESSAVG: 726800 8.51504 4.01039 11.0341 4.01044 39.5736 50.2266 11.034 50.2266 -73.307 GPRESSAVG: 726800 10.0411 2.80912 8.05524 5.61014 38.1591 49.4111 13.8678 50.4295 -72.9485 TIMING: 726800 CPU: 2165.34, 0.00299218/step Wall: 2165.34, 0.00299218/step, 3.55172 hours remaining, 207.578125 MB of memory in use. ENERGY: 726800 758.5886 2091.9815 1954.4220 114.5184 -205594.2356 17306.2799 0.0000 0.0000 34368.2465 -149000.1987 300.1464 -183368.4453 -148903.5695 299.7181 -271.9410 -236.2445 558705.6128 -8.4061 -8.2494 PRESSURE: 727000 -56.9483 -2.1917 3.22323 -2.19165 -60.8879 17.7848 3.22198 17.785 -135.536 GPRESSURE: 727000 24.4998 -60.6133 2.54285 -75.7016 -31.1372 59.1025 -16.5536 -50.6501 -171.552 PRESSAVG: 727000 13.0375 -9.18512 63.3797 -9.18513 -46.1557 -31.7959 63.3797 -31.7959 -46.6811 GPRESSAVG: 727000 12.4163 -7.95284 65.4833 -12.0711 -46.148 -30.8779 60.9601 -29.681 -46.3358 TIMING: 727000 CPU: 2165.94, 0.00299878/step Wall: 2165.94, 0.00299878/step, 3.55939 hours remaining, 207.578125 MB of memory in use. ENERGY: 727000 727.3977 2113.4206 1946.9674 107.3606 -205895.3094 17688.8517 0.0000 0.0000 34262.4014 -149048.9099 299.2221 -183311.3113 -148965.6702 300.1833 -84.4573 -59.3964 559195.8393 -26.5998 -26.6892 PRESSURE: 727200 -103.986 -60.1694 60.7429 -60.1705 -40.5946 5.56777 60.7419 5.56797 -288.217 GPRESSURE: 727200 7.28103 -47.7977 -5.6692 -61.6076 -49.6938 11.6491 152.314 -22.2262 -305.348 PRESSAVG: 727200 78.3608 -44.472 23.5636 -44.472 -42.881 -42.3953 23.5636 -42.3953 -17.1783 GPRESSAVG: 727200 77.9839 -44.3036 21.8113 -41.4818 -42.7008 -41.5368 25.7714 -42.2791 -17.0842 TIMING: 727200 CPU: 2166.54, 0.00298377/step Wall: 2166.54, 0.00298377/step, 3.5414 hours remaining, 207.578125 MB of memory in use. ENERGY: 727200 747.5843 2105.8519 1940.1586 118.9335 -205894.9903 17551.6684 0.0000 0.0000 34518.0252 -148912.7683 301.4545 -183430.7935 -148809.3758 300.3204 -144.2658 -115.9204 557447.0336 6.1005 6.0663 PRESSURE: 727400 134.26 -153.372 142.393 -153.372 86.5125 -74.5172 142.39 -74.5172 42.0661 GPRESSURE: 727400 132.655 -160.617 102.333 -173.07 167.175 -27.3542 99.761 -68.673 61.994 PRESSAVG: 727400 -3.60593 -10.2814 46.3574 -10.2814 44.5161 -1.0884 46.3574 -1.08841 -34.2245 GPRESSAVG: 727400 -3.30815 -12.0388 46.2129 -11.4974 44.3458 -1.32774 45.3714 -1.07515 -34.497 TIMING: 727400 CPU: 2167.13, 0.00298141/step Wall: 2167.13, 0.00298141/step, 3.53844 hours remaining, 207.578125 MB of memory in use. ENERGY: 727400 714.9970 2191.8769 1912.5805 101.8645 -206219.4648 17857.3970 0.0000 0.0000 34510.5419 -148930.2070 301.3891 -183440.7489 -148837.4721 300.3057 87.6128 120.6078 556476.4187 2.2286 2.1802 PRESSURE: 727600 -108.286 -54.5054 -71.9177 -54.5051 -61.7641 -78.8725 -71.9194 -78.8722 79.8404 GPRESSURE: 727600 -49.9386 -67.6811 -94.8872 -21.1743 -98.6727 -19.457 -97.4383 -29.3843 152.089 PRESSAVG: 727600 -27.082 -36.0281 18.4522 -36.028 37.132 -46.8136 18.4522 -46.8136 -12.3252 GPRESSAVG: 727600 -27.1311 -32.4531 17.3228 -36.2188 37.0845 -48.4467 18.382 -46.2259 -12.633 TIMING: 727600 CPU: 2167.73, 0.00297955/step Wall: 2167.73, 0.00297955/step, 3.53606 hours remaining, 207.578125 MB of memory in use. ENERGY: 727600 764.9956 2122.7852 1937.7888 111.9803 -206131.2853 17867.8327 0.0000 0.0000 34392.0770 -148933.8257 300.3546 -183325.9026 -148842.0865 300.1363 -30.0699 1.1592 557990.4251 -0.7584 -0.8932 PRESSURE: 727800 -105.055 -76.6191 -86.2827 -76.6194 -132.124 -94.1925 -86.2838 -94.1927 153.035 GPRESSURE: 727800 -46.7741 -111.405 -33.4827 -79.3401 -95.6028 -30.9657 -55.814 -62.435 150.265 PRESSAVG: 727800 -51.7405 -27.8123 31.3478 -27.8124 34.2281 -23.119 31.3478 -23.1191 17.3654 GPRESSAVG: 727800 -51.9923 -30.7486 32.4589 -29.3928 34.7169 -18.7515 30.7396 -24.7225 17.0155 TIMING: 727800 CPU: 2168.33, 0.00298474/step Wall: 2168.33, 0.00298474/step, 3.54206 hours remaining, 207.578125 MB of memory in use. ENERGY: 727800 714.6616 2128.7442 1936.2043 121.4410 -205984.4916 17805.0993 0.0000 0.0000 34369.0903 -148909.2509 300.1538 -183278.3412 -148811.7015 300.7160 -28.0482 2.6294 557125.9762 -0.0490 -0.0866 PRESSURE: 728000 -35.6662 -111.685 -77.3517 -111.684 96.903 -72.2371 -77.351 -72.2366 -172.47 GPRESSURE: 728000 44.9788 -129.034 -63.1339 -157.821 94.1661 -32.4041 -46.206 -150.955 -160.697 PRESSAVG: 728000 -31.1226 17.7407 37.7391 17.7406 -3.53585 -84.3289 37.7391 -84.3289 13.6579 GPRESSAVG: 728000 -29.6336 19.1139 38.3406 18.9811 -4.99617 -86.6109 39.2561 -85.4563 14.2494 TIMING: 728000 CPU: 2168.93, 0.00299416/step Wall: 2168.93, 0.00299416/step, 3.55307 hours remaining, 207.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 728000 724.8969 2080.7560 1930.3971 111.5401 -205903.3184 17743.2225 0.0000 0.0000 34696.6849 -148615.8209 303.0148 -183312.5058 -148511.1198 301.1298 -37.0776 -7.1839 556841.3958 -7.0002 -6.7935 PRESSURE: 728200 -123.348 8.21672 -38.3097 8.21754 36.6264 -43.5155 -38.3097 -43.5158 171.274 GPRESSURE: 728200 -31.5243 -11.9994 -16.6555 56.9099 95.4171 -38.9988 -43.4901 6.01097 136.402 PRESSAVG: 728200 21.8851 49.8633 -22.8952 49.8632 -9.50343 -24.7516 -22.8951 -24.7516 -7.85116 GPRESSAVG: 728200 21.4028 49.5009 -24.7844 50.1047 -9.05464 -25.7271 -23.5755 -23.9326 -8.43958 TIMING: 728200 CPU: 2169.53, 0.00299804/step Wall: 2169.53, 0.00299804/step, 3.55751 hours remaining, 207.578125 MB of memory in use. ENERGY: 728200 751.3799 2115.4956 1938.2479 118.2889 -205737.9319 17637.8214 0.0000 0.0000 34517.1715 -148659.5267 301.4470 -183176.6981 -148558.4361 301.5565 28.1842 66.7649 556408.3718 1.5102 1.3029 LDB: ============= START OF LOAD BALANCING ============== 2173.08 LDB: ============== END OF LOAD BALANCING =============== 2173.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2173.08 LDB: ============= START OF LOAD BALANCING ============== 2173.38 LDB: Largest compute 4795 load 0.028319 is 24.0% of average load 0.118057 LDB: Average compute 0.001737 is 1.5% of average load 0.118057 LDB: TIME 2173.38 LOAD: AVG 0.118057 MAX 0.207347 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.496 MB LDB: TIME 2173.38 LOAD: AVG 0.118057 MAX 0.207347 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.559 MB LDB: TIME 2173.38 LOAD: AVG 0.118057 MAX 0.207347 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.559 MB LDB: ============== END OF LOAD BALANCING =============== 2173.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2173.39 PRESSURE: 728400 -143.405 -33.4346 184.703 -33.4324 -94.7431 108.788 184.702 108.789 -243.071 GPRESSURE: 728400 -146.4 -28.7226 227.713 -34.1085 -70.4617 40.9934 74.9529 3.02306 -163.184 PRESSAVG: 728400 -22.3675 9.85285 -31.118 9.85276 -6.8156 36.08 -31.118 36.08 6.04477 GPRESSAVG: 728400 -22.3992 9.68264 -29.3596 8.35477 -6.2776 36.4135 -30.8377 35.5653 5.70519 TIMING: 728400 CPU: 2170.14, 0.00306239/step Wall: 2170.14, 0.00306239/step, 3.6337 hours remaining, 207.269531 MB of memory in use. ENERGY: 728400 752.2001 2087.2363 1954.7007 118.3659 -205754.8950 17497.3437 0.0000 0.0000 34582.5046 -148762.5437 302.0176 -183345.0483 -148669.8696 301.2429 -160.4063 -126.6816 557243.0297 -7.7128 -7.6572 PRESSURE: 728600 118.747 76.5752 86.1698 76.5758 257.001 151.928 86.171 151.927 87.6722 GPRESSURE: 728600 154.504 117.952 67.2192 125.161 242.612 131.557 140.414 131.975 161.343 PRESSAVG: 728600 -4.58979 -26.8047 34.945 -26.8046 -10.1595 -4.57798 34.9449 -4.57799 17.0872 GPRESSAVG: 728600 -5.26435 -27.1438 35.5561 -25.9473 -10.9379 -5.85729 33.4832 -4.59327 18.5987 TIMING: 728600 CPU: 2170.74, 0.00300394/step Wall: 2170.74, 0.00300393/step, 3.56417 hours remaining, 207.269531 MB of memory in use. ENERGY: 728600 695.1373 2153.8659 1917.1717 105.6070 -205920.0420 17701.7492 0.0000 0.0000 34467.5857 -148878.9251 301.0140 -183346.5108 -148786.2253 300.6970 154.4731 186.1532 557284.0304 0.7793 0.7988 PRESSURE: 728800 -4.66813 37.0893 13.1264 37.0901 112.656 -122.879 13.1274 -122.878 -120.492 GPRESSURE: 728800 70.2385 129.532 54.8567 0.932911 118.802 -133.979 -76.3357 -13.752 -106.663 PRESSAVG: 728800 14.8732 11.5228 -13.6502 11.5228 8.29756 -4.35691 -13.6502 -4.35689 -19.3831 GPRESSAVG: 728800 15.6034 10.4786 -14.0482 12.6997 8.07264 -3.63452 -11.1073 -3.66318 -19.7582 TIMING: 728800 CPU: 2171.34, 0.00302509/step Wall: 2171.34, 0.00302509/step, 3.5891 hours remaining, 207.269531 MB of memory in use. ENERGY: 728800 753.7078 2118.1183 1915.9189 114.7574 -205648.0094 17691.8603 0.0000 0.0000 34317.2325 -148736.4143 299.7009 -183053.6467 -148646.5038 299.8341 -4.1680 27.4592 558717.9713 1.2626 1.3060 PRESSURE: 729000 -243.882 -132.347 -38.1546 -132.348 -205.558 197.769 -38.1531 197.771 -324.306 GPRESSURE: 729000 -239 -82.3456 -58.0258 -85.3661 -165.949 197.409 -7.37317 88.6518 -274.532 PRESSAVG: 729000 56.2788 -5.77286 9.21864 -5.77286 34.8679 2.38422 9.21872 2.38421 -18.8543 GPRESSAVG: 729000 57.5822 -3.91052 10.1895 -8.07798 35.6486 2.09385 7.66207 1.67803 -20.4195 TIMING: 729000 CPU: 2171.95, 0.00301338/step Wall: 2171.95, 0.00301338/step, 3.57504 hours remaining, 207.269531 MB of memory in use. ENERGY: 729000 781.9562 2105.4699 1964.7830 108.7257 -205336.9057 17399.2580 0.0000 0.0000 34158.1145 -148818.5984 298.3113 -182976.7129 -148714.2120 299.8488 -257.9152 -226.4939 557325.2692 24.0975 24.2705 PRESSURE: 729200 114.687 -27.1863 -8.31913 -27.187 83.469 110.448 -8.31898 110.449 205.266 GPRESSURE: 729200 106.876 -17.5429 94.345 -66.5388 172.502 110.305 -0.0365771 76.1147 222.369 PRESSAVG: 729200 -13.7848 -8.03651 9.57454 -8.03643 -45.2834 6.00528 9.57456 6.0054 46.9478 GPRESSAVG: 729200 -15.657 -8.30785 8.09689 -6.50242 -43.6805 6.44753 9.38669 6.883 47.1877 TIMING: 729200 CPU: 2172.55, 0.00303166/step Wall: 2172.55, 0.00303166/step, 3.59656 hours remaining, 207.269531 MB of memory in use. ENERGY: 729200 719.0601 2121.8950 1947.1050 112.0259 -205957.2792 17861.2942 0.0000 0.0000 34233.5923 -148962.3067 298.9705 -183195.8990 -148863.5380 300.0559 134.4742 167.2492 557022.2376 -4.0401 -4.0499 PRESSURE: 729400 -107.939 232.167 6.67366 232.167 -162.035 -5.14461 6.67173 -5.14391 12.5263 GPRESSURE: 729400 -82.2316 203.062 -37.8247 235.731 -72.7185 -0.424615 82.5558 -44.1651 -10.7277 PRESSAVG: 729400 -38.048 56.0535 -24.1937 56.0534 46.5939 -47.5914 -24.1937 -47.5914 13.0823 GPRESSAVG: 729400 -37.6075 54.4055 -23.6409 56.8372 45.6837 -46.3031 -24.7201 -48.617 13.0941 TIMING: 729400 CPU: 2173.16, 0.00301015/step Wall: 2173.16, 0.00301015/step, 3.57088 hours remaining, 207.269531 MB of memory in use. ENERGY: 729400 723.7311 2090.7710 1935.9029 107.2070 -205823.6521 17583.0992 0.0000 0.0000 34504.1460 -148878.7948 301.3333 -183382.9408 -148772.1073 299.9100 -85.8158 -55.2259 557998.5819 7.2094 7.0567 PRESSURE: 729600 -74.6872 -32.5766 121.366 -32.5766 117.05 62.2642 121.366 62.2621 -233.962 GPRESSURE: 729600 -51.8527 -9.81863 74.5935 -10.5833 118.282 67.541 131.579 82.1082 -167.231 PRESSAVG: 729600 59.713 25.7396 35.3802 25.7396 20.7244 8.52282 35.3802 8.52271 -33.2054 GPRESSAVG: 729600 60.3884 26.018 33.5926 24.6639 20.1704 7.05774 35.83 9.72842 -33.4046 TIMING: 729600 CPU: 2173.76, 0.00300915/step Wall: 2173.76, 0.00300915/step, 3.56952 hours remaining, 207.269531 MB of memory in use. ENERGY: 729600 774.7982 2064.1126 1937.7034 102.0642 -205933.9663 17706.7643 0.0000 0.0000 34291.5298 -149056.9937 299.4765 -183348.5235 -148965.3077 299.8716 -63.8664 -33.6008 557288.6606 15.7440 15.7181 PRESSURE: 729800 158.706 -68.4404 -76.5246 -68.4405 -95.2099 10.2056 -76.5254 10.2037 129.925 GPRESSURE: 729800 184.882 -65.6193 -14.5274 -100.682 -21.6404 -9.15074 -124.666 56.3728 136.34 PRESSAVG: 729800 44.5875 -10.3069 -4.56058 -10.3069 10.5574 -1.66895 -4.56056 -1.66887 -55.4619 GPRESSAVG: 729800 45.0026 -8.59684 -2.78031 -10.855 9.35869 -0.905657 -4.89321 -1.30923 -54.3564 TIMING: 729800 CPU: 2174.36, 0.00300083/step Wall: 2174.36, 0.00300083/step, 3.55948 hours remaining, 207.269531 MB of memory in use. ENERGY: 729800 753.6487 2057.2467 1904.7643 111.7329 -206205.0447 17965.6341 0.0000 0.0000 34277.6388 -149134.3791 299.3551 -183412.0178 -149040.6873 299.7530 64.4734 99.8605 558380.4770 -0.1056 0.0016 PRESSURE: 730000 144.744 -55.5087 -99.8907 -55.5081 -3.42669 29.9319 -99.8908 29.9339 -22.7427 GPRESSURE: 730000 146.096 -133.368 -153.394 9.23775 58.129 32.0479 -52.8541 50.7031 19.5108 PRESSAVG: 730000 28.2721 -51.5911 -28.3163 -51.591 -28.2719 13.0158 -28.3163 13.0157 18.8626 GPRESSAVG: 730000 28.3949 -53.5134 -29.2345 -51.5095 -27.1508 11.4173 -26.5587 13.0731 18.1519 TIMING: 730000 CPU: 2174.96, 0.0029899/step Wall: 2174.96, 0.0029899/step, 3.54635 hours remaining, 207.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 730000 745.2430 2060.2801 1942.6062 113.2484 -206203.2422 17915.6023 0.0000 0.0000 34458.6039 -148967.6583 300.9356 -183426.2623 -148870.4845 300.3311 39.5248 74.5786 557054.1101 6.2876 6.4653 PRESSURE: 730200 -61.8772 -97.3007 -4.96541 -97.3014 106.211 60.074 -4.9661 60.074 211.522 GPRESSURE: 730200 -44.0315 -94.6891 87.7571 -116.256 168.472 90.3184 -110.772 -7.40052 221.095 PRESSAVG: 730200 10.6295 -10.0987 10.9041 -10.0988 15.4202 -29.1516 10.9042 -29.1515 -33.3735 GPRESSAVG: 730200 10.155 -9.73858 10.94 -7.34253 16.0179 -28.6298 10.3589 -29.1835 -32.9403 TIMING: 730200 CPU: 2175.55, 0.00298842/step Wall: 2175.55, 0.00298842/step, 3.54443 hours remaining, 207.269531 MB of memory in use. ENERGY: 730200 765.0677 2080.6867 1945.1746 106.4032 -206180.6742 17898.6644 0.0000 0.0000 34464.2475 -148920.4301 300.9848 -183384.6776 -148823.6673 299.9208 85.2853 115.1784 556626.7050 -2.4413 -2.2558 PRESSURE: 730400 44.9691 -52.4075 -237.844 -52.4068 107.966 11.9492 -237.843 11.9481 136.872 GPRESSURE: 730400 59.119 -133.406 -203.049 -5.37795 173.135 77.2465 -211.334 -42.3728 144.316 PRESSAVG: 730400 -93.116 39.492 -18.0011 39.4919 45.3352 5.20658 -18.0011 5.2066 32.1782 GPRESSAVG: 730400 -93.6413 40.8161 -17.6065 36.0864 44.2949 4.57594 -17.6564 5.60719 33.073 TIMING: 730400 CPU: 2176.15, 0.00300898/step Wall: 2176.15, 0.00300898/step, 3.56866 hours remaining, 207.269531 MB of memory in use. ENERGY: 730400 744.5211 2067.6772 1912.9777 116.9154 -206091.1611 17799.7109 0.0000 0.0000 34363.9876 -149085.3712 300.1093 -183449.3588 -148992.9391 299.4721 96.6024 125.5230 556506.7392 -5.2009 -5.4245 PRESSURE: 730600 -209.937 -68.0857 -125.271 -68.0863 -149.882 -1.43856 -125.273 -1.43902 -6.13211 GPRESSURE: 730600 -167.328 -38.8982 -114.565 -78.6179 -109.149 12.0771 -165.923 -37.6505 0.504614 PRESSAVG: 730600 19.8476 17.4598 9.73303 17.4598 3.79917 27.6898 9.73306 27.6899 8.36988 GPRESSAVG: 730600 19.3891 14.9009 8.86577 18.48 4.49692 28.3229 8.96241 25.3139 6.99695 TIMING: 730600 CPU: 2176.76, 0.00300413/step Wall: 2176.76, 0.00300413/step, 3.56274 hours remaining, 207.269531 MB of memory in use. ENERGY: 730600 731.3094 2055.0770 1925.0340 101.3314 -206018.2041 17546.9172 0.0000 0.0000 34423.8751 -149234.6600 300.6323 -183658.5351 -149128.9255 299.8937 -121.9834 -91.9908 556871.2403 10.6722 10.2943 PRESSURE: 730800 -269.271 -66.379 206.24 -66.3782 -153.948 116.91 206.242 116.91 -56.9022 GPRESSURE: 730800 -209.053 -108.255 185.657 -2.7321 -72.5255 74.7263 175.784 162.176 -104.613 PRESSAVG: 730800 -39.3478 22.9387 -41.2355 22.9387 19.5713 47.8636 -41.2356 47.8635 23.4198 GPRESSAVG: 730800 -38.0259 24.5509 -40.5253 22.5238 18.3604 48.7902 -39.7231 47.8684 23.4203 TIMING: 730800 CPU: 2177.35, 0.00298026/step Wall: 2177.35, 0.00298026/step, 3.53425 hours remaining, 207.269531 MB of memory in use. ENERGY: 730800 749.9349 2073.8955 1951.7585 103.9068 -205772.4310 17444.8382 0.0000 0.0000 34304.0615 -149144.0356 299.5859 -183448.0972 -149041.6346 298.8962 -160.0402 -128.7306 557500.8493 1.2144 1.2516 PRESSURE: 731000 34.221 82.8408 -61.1998 82.8409 -227.369 -144.608 -61.1995 -144.607 -25.2613 GPRESSURE: 731000 75.2379 43.9778 21.0805 65.5337 -146.634 -299.686 -35.4592 -51.4 -54.9258 PRESSAVG: 731000 -33.3499 60.1406 36.428 60.1407 37.511 67.587 36.4279 67.587 16.9097 GPRESSAVG: 731000 -34.6575 61.6566 37.2023 59.7923 39.2319 69.2159 35.3874 68.8668 16.6266 TIMING: 731000 CPU: 2177.95, 0.00297678/step Wall: 2177.95, 0.00297678/step, 3.52997 hours remaining, 207.269531 MB of memory in use. ENERGY: 731000 768.1189 2067.3662 1927.2371 110.1830 -205750.9306 17655.9181 0.0000 0.0000 34146.2293 -149075.8778 298.2075 -183222.1071 -148981.2713 299.4823 -72.8030 -42.1071 557634.1228 7.0236 7.0670 PRESSURE: 731200 142.06 6.6787 13.6548 6.67746 37.551 -11.5782 13.6529 -11.5784 141.818 GPRESSURE: 731200 187.804 -36.756 54.0703 19.0811 43.0083 -45.3546 25.1219 -41.7968 180.303 PRESSAVG: 731200 -58.5782 5.28483 -38.51 5.28477 -13.1782 44.6515 -38.51 44.6514 59.0159 GPRESSAVG: 731200 -57.7284 5.17633 -38.9954 4.26241 -14.3708 42.4462 -37.2231 43.833 59.5833 TIMING: 731200 CPU: 2178.55, 0.00300648/step Wall: 2178.55, 0.00300648/step, 3.56502 hours remaining, 207.269531 MB of memory in use. ENERGY: 731200 763.8745 2072.5323 1933.2032 108.1194 -205888.6655 17916.3794 0.0000 0.0000 34061.6923 -149032.8643 297.4692 -183094.5566 -148939.8660 299.3012 107.1430 137.0385 557038.0003 -4.2469 -4.1720 PRESSURE: 731400 -51.8776 23.527 -9.07387 23.5289 -127.858 -171.062 -9.0726 -171.062 -189.708 GPRESSURE: 731400 18.7176 67.8021 5.0968 -48.077 -199.135 -180.498 27.6846 -173.354 -100.856 PRESSAVG: 731400 -31.6954 -22.3576 1.49978 -22.3576 -23.6335 -23.2254 1.49973 -23.2253 27.5525 GPRESSAVG: 731400 -31.6161 -23.8543 -0.452083 -21.3072 -23.7971 -22.9473 1.07901 -21.999 27.8134 TIMING: 731400 CPU: 2179.15, 0.00302103/step Wall: 2179.15, 0.00302103/step, 3.5821 hours remaining, 207.269531 MB of memory in use. ENERGY: 731400 743.2410 2073.9601 1912.1336 102.5394 -205740.2026 17587.3316 0.0000 0.0000 34457.5093 -148863.4875 300.9260 -183320.9968 -148768.7730 299.6342 -123.1478 -93.7575 558924.5398 -9.2588 -9.1999 PRESSURE: 731600 -230.061 -20.4955 32.8456 -20.4949 -240.128 93.6275 32.8451 93.6274 -226.577 GPRESSURE: 731600 -150.038 14.6296 -8.29918 -46.3721 -220.866 87.3954 -2.17909 38.4817 -233.881 PRESSAVG: 731600 -54.9252 4.07253 -9.90244 4.07256 74.2249 -29.6807 -9.90234 -29.6808 -47.3445 GPRESSAVG: 731600 -54.7737 4.10187 -7.48484 5.07129 73.464 -29.4277 -10.3656 -29.1124 -47.1984 TIMING: 731600 CPU: 2179.75, 0.00298263/step Wall: 2179.75, 0.00298263/step, 3.5364 hours remaining, 207.269531 MB of memory in use. ENERGY: 731600 750.4268 2079.5815 1917.2585 115.0554 -205425.0173 17480.6147 0.0000 0.0000 34330.2145 -148751.8660 299.8143 -183082.0805 -148655.3183 300.3512 -232.2551 -201.5950 558922.1904 -9.3483 -9.5027 PRESSURE: 731800 -272.401 5.84629 -64.2024 5.84633 -44.4389 46.4564 -64.2006 46.4563 -179.451 GPRESSURE: 731800 -204.096 93.4839 -60.7698 -10.6677 -29.1749 55.9079 -4.96772 3.11037 -154.482 PRESSAVG: 731800 37.7132 0.720521 3.73429 0.720452 -38.3256 -34.4463 3.73434 -34.4463 34.3748 GPRESSAVG: 731800 37.2268 1.52245 5.43101 -0.831074 -36.7443 -34.1042 3.9297 -36.8532 33.2874 TIMING: 731800 CPU: 2180.35, 0.00300013/step Wall: 2180.35, 0.00300013/step, 3.55698 hours remaining, 207.269531 MB of memory in use. ENERGY: 731800 827.6092 2019.8348 1919.4843 108.9237 -205602.7555 17703.8243 0.0000 0.0000 34432.8881 -148590.1910 300.7110 -183023.0791 -148489.7598 300.2522 -165.4304 -129.2512 558280.1960 11.2541 11.2567 PRESSURE: 732000 -35.6599 -61.0681 112.749 -61.0682 -199.895 97.0628 112.75 97.0632 87.7511 GPRESSURE: 732000 -24.4947 -53.1641 165.922 -34.4496 -172.543 186.631 46.5019 117.59 139.001 PRESSAVG: 732000 7.49359 19.7221 -19.3724 19.7221 -5.47362 -17.9822 -19.3725 -17.9823 13.6641 GPRESSAVG: 732000 6.38658 17.5545 -20.5916 21.7112 -4.8508 -19.3006 -20.3147 -14.906 13.9868 TIMING: 732000 CPU: 2180.95, 0.00301953/step Wall: 2180.95, 0.00301953/step, 3.57982 hours remaining, 207.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 732000 764.7910 2098.9095 1921.0135 109.5020 -205674.9498 17904.5908 0.0000 0.0000 34365.1186 -148511.0244 300.1191 -182876.1430 -148408.7028 301.0389 -49.2681 -19.3455 559187.9526 5.2280 5.1742 PRESSURE: 732200 -225.746 132.727 152.242 132.727 -109.366 90.8519 152.241 90.8532 -123.98 GPRESSURE: 732200 -196.837 63.6812 163.204 183.492 3.07329 60.9714 203.529 73.5852 -161.721 PRESSAVG: 732200 39.8181 39.3838 6.1415 39.3838 24.2801 -25.4545 6.14157 -25.4545 -74.9013 GPRESSAVG: 732200 40.0688 39.6259 3.45144 38.0434 24.0087 -24.665 6.95701 -25.7429 -74.7739 TIMING: 732200 CPU: 2181.56, 0.00302086/step Wall: 2181.56, 0.00302086/step, 3.58123 hours remaining, 207.269531 MB of memory in use. ENERGY: 732200 765.6934 2078.5824 1915.7032 103.2634 -205874.8777 17563.6332 0.0000 0.0000 34624.0006 -148824.0015 302.3800 -183448.0021 -148721.4073 300.7494 -153.0309 -118.4947 557544.6304 -3.6010 -3.5655 LDB: ============= START OF LOAD BALANCING ============== 2185.11 LDB: ============== END OF LOAD BALANCING =============== 2185.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2185.11 LDB: ============= START OF LOAD BALANCING ============== 2185.41 LDB: Largest compute 4773 load 0.027831 is 23.6% of average load 0.118110 LDB: Average compute 0.001737 is 1.5% of average load 0.118110 LDB: TIME 2185.41 LOAD: AVG 0.11811 MAX 0.204999 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.633 MB LDB: TIME 2185.41 LOAD: AVG 0.11811 MAX 0.204999 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.633 MB LDB: TIME 2185.41 LOAD: AVG 0.11811 MAX 0.204999 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.633 MB LDB: ============== END OF LOAD BALANCING =============== 2185.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2185.42 PRESSURE: 732400 -5.19446 254.712 12.3022 254.711 112.623 -9.41451 12.3005 -9.41492 -140.214 GPRESSURE: 732400 -46.0232 270.606 16.853 184.639 173.354 -28.9552 39.3821 -39.5812 -72.4772 PRESSAVG: 732400 37.8428 9.5013 20.4542 9.50128 76.8357 -11.5531 20.4541 -11.5531 -60.0444 GPRESSAVG: 732400 39.3375 10.6448 20.5571 9.95607 75.6264 -12.7943 21.0279 -12.6262 -60.2311 TIMING: 732400 CPU: 2182.17, 0.00305735/step Wall: 2182.17, 0.00305735/step, 3.62432 hours remaining, 209.250000 MB of memory in use. ENERGY: 732400 768.3449 2009.6445 1924.7667 131.1831 -205684.2708 17687.9808 0.0000 0.0000 34333.8943 -148828.4564 299.8464 -183162.3508 -148731.2737 300.4420 -10.9285 18.2847 557130.1069 18.2114 18.2443 PRESSURE: 732600 -345.341 125.942 88.4459 125.942 -203.918 -7.24941 88.4461 -7.25106 -93.7472 GPRESSURE: 732600 -277.949 98.3959 61.4167 148.986 -156.328 118.256 138.928 -29.6691 -104.989 PRESSAVG: 732600 -42.1529 22.2811 24.6865 22.281 63.458 30.0389 24.6864 30.0389 -31.5179 GPRESSAVG: 732600 -42.1984 22.3442 27.31 21.4851 64.3028 31.0904 24.2762 30.7437 -31.9086 TIMING: 732600 CPU: 2182.77, 0.00300167/step Wall: 2182.77, 0.00300167/step, 3.55815 hours remaining, 209.710938 MB of memory in use. ENERGY: 732600 781.3254 2098.1881 1912.3694 114.2228 -205744.6858 17650.3671 0.0000 0.0000 34364.0225 -148824.1904 300.1096 -183188.2129 -148722.9057 300.0428 -214.3354 -179.7555 558675.0959 -3.4043 -3.2681 PRESSURE: 732800 93.1408 -142.878 -138.664 -142.879 -239.71 -63.811 -138.664 -63.8105 -157.596 GPRESSURE: 732800 86.5907 -98.7607 -128.536 -68.5375 -191.733 -45.0351 -33.2319 -140.975 -102.096 PRESSAVG: 732800 22.8156 -20.8629 -5.12816 -20.8628 43.7873 -19.2401 -5.12828 -19.2401 3.32404 GPRESSAVG: 732800 22.8707 -20.8852 -5.37132 -19.6591 43.9055 -18.3543 -5.32053 -19.6389 2.87328 TIMING: 732800 CPU: 2183.36, 0.00296838/step Wall: 2183.36, 0.00296837/step, 3.51851 hours remaining, 209.710938 MB of memory in use. ENERGY: 732800 762.2173 2080.2049 1923.5186 121.9599 -205864.9046 17752.7879 0.0000 0.0000 34367.2302 -148856.9859 300.1376 -183224.2161 -148761.5025 300.0536 -101.3885 -69.0794 557226.1172 23.3090 23.2165 PRESSURE: 733000 -44.6587 -66.9257 54.148 -66.9271 -56.4161 21.2817 54.1491 21.2822 -343.937 GPRESSURE: 733000 -42.6233 -64.9473 95.4239 -49.0086 -10.4642 62.2855 7.55827 4.71164 -294.401 PRESSAVG: 733000 -7.93456 -5.47195 11.3623 -5.472 -30.8183 -33.5975 11.3623 -33.5976 9.82433 GPRESSAVG: 733000 -8.2862 -7.06376 11.0256 -7.12439 -31.2933 -35.4905 12.2429 -33.7108 10.6615 TIMING: 733000 CPU: 2183.96, 0.00300799/step Wall: 2183.96, 0.00300799/step, 3.5653 hours remaining, 209.710938 MB of memory in use. ENERGY: 733000 772.3827 2115.0260 1926.7635 116.3240 -205649.4580 17504.1413 0.0000 0.0000 34386.1955 -148828.6249 300.3032 -183214.8205 -148733.9514 299.9983 -148.3374 -115.8296 558422.5338 -9.6429 -9.6393 PRESSURE: 733200 -189.668 -48.5873 37.7813 -48.5881 -291.013 -11.4736 37.7821 -11.4731 -41.2332 GPRESSURE: 733200 -135.854 -33.6673 90.2334 -69.2008 -235.807 -78.9403 -29.3647 22.9175 -58.777 PRESSAVG: 733200 0.851582 49.8174 21.5482 49.8176 -51.9838 -4.92027 21.5482 -4.92022 49.1566 GPRESSAVG: 733200 1.10596 50.6383 22.7766 49.9273 -51.5175 -5.19535 20.5658 -5.30169 48.869 TIMING: 733200 CPU: 2184.56, 0.0029965/step Wall: 2184.56, 0.0029965/step, 3.55151 hours remaining, 209.710938 MB of memory in use. ENERGY: 733200 762.6764 2096.2489 1920.1425 113.2924 -205262.5755 17413.4149 0.0000 0.0000 34200.3871 -148756.4132 298.6805 -182956.8004 -148662.8968 300.7195 -173.9717 -143.4796 557567.5454 -0.6586 -0.5142 PRESSURE: 733400 -25.7542 113.376 42.4582 113.376 205.145 -31.1668 42.4569 -31.1661 74.4356 GPRESSURE: 733400 -10.4372 143.403 -4.92887 46.5147 241.563 -38.1047 -5.70598 -77.2311 127.583 PRESSAVG: 733400 2.92502 45.8392 -2.52948 45.8392 -6.57953 9.30764 -2.52949 9.30759 23.1257 GPRESSAVG: 733400 2.53348 46.303 -4.73253 46.2892 -6.70764 10.6579 -0.953653 9.19016 23.7218 TIMING: 733400 CPU: 2185.17, 0.00303008/step Wall: 2185.17, 0.00303008/step, 3.59114 hours remaining, 209.710938 MB of memory in use. ENERGY: 733400 782.3083 2096.7241 1914.7949 109.1311 -206048.4195 17975.3462 0.0000 0.0000 34466.5368 -148703.5781 301.0048 -183170.1148 -148594.7482 300.2458 84.6088 119.5696 557401.6178 6.4904 6.5159 PRESSURE: 733600 140.113 72.229 83.7753 72.2302 -382.916 -34.205 83.7753 -34.2057 -78.5966 GPRESSURE: 733600 112.265 65.8074 122.127 51.7757 -322.033 -36.4943 86.6989 -39.627 -18.5373 PRESSAVG: 733600 29.3412 30.6248 -5.23574 30.6248 -13.4103 8.38272 -5.23571 8.38265 -7.2817 GPRESSAVG: 733600 28.42 30.7091 -4.71893 31.0716 -13.5774 7.761 -6.10333 9.82282 -6.00152 TIMING: 733600 CPU: 2185.77, 0.00298839/step Wall: 2185.77, 0.00298839/step, 3.54157 hours remaining, 209.710938 MB of memory in use. ENERGY: 733600 771.1862 2055.8734 1921.0388 120.0432 -205733.6569 17724.1379 0.0000 0.0000 34517.5535 -148623.8239 301.4504 -183141.3774 -148529.3698 301.0511 -107.1331 -76.1018 558776.6324 2.8831 2.9470 PRESSURE: 733800 -171.212 -47.4513 -50.6424 -47.4517 137.416 -11.8519 -50.6413 -11.8519 244.491 GPRESSURE: 733800 -65.0927 1.93961 -17.6365 -61.901 187.454 103.627 -131.903 -133.699 181.564 PRESSAVG: 733800 -12.3888 12.748 5.67831 12.748 -48.9242 -8.32901 5.6783 -8.32898 86.8985 GPRESSAVG: 733800 -10.7833 13.399 5.7479 11.8196 -47.4361 -7.32666 4.6302 -8.73716 84.1485 TIMING: 733800 CPU: 2186.36, 0.0029503/step Wall: 2186.36, 0.0029503/step, 3.49626 hours remaining, 209.777344 MB of memory in use. ENERGY: 733800 793.7107 2033.9760 1926.8961 121.0303 -206065.4406 18000.5638 0.0000 0.0000 34380.3536 -148808.9101 300.2522 -183189.2637 -148713.4279 300.9543 70.2318 101.3084 559701.7252 8.5285 8.6430 PRESSURE: 734000 -347.436 -26.2648 -84.0874 -26.2662 -128.206 17.6719 -84.0864 17.6734 -100.726 GPRESSURE: 734000 -308.156 -42.2233 -64.1446 61.9 -108.713 9.16832 -206.329 8.43084 -56.1642 PRESSAVG: 734000 -48.9814 10.8993 -0.69003 10.8993 20.3328 -24.56 -0.690037 -24.5599 36.1426 GPRESSAVG: 734000 -49.5547 9.81214 -0.384659 11.7001 20.1378 -23.8125 -0.645711 -25.8145 37.3305 TIMING: 734000 CPU: 2186.95, 0.00294769/step Wall: 2186.95, 0.00294769/step, 3.49302 hours remaining, 209.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 734000 765.8250 2113.6299 1914.9519 101.9520 -205423.4525 17543.8413 0.0000 0.0000 34115.6856 -148867.5668 297.9408 -182983.2524 -148779.2419 299.6184 -192.1229 -157.6777 560701.0438 2.4980 2.6379 PRESSURE: 734200 319.473 -87.4797 0.0306166 -87.4793 29.2755 -67.7537 0.0305561 -67.7535 -26.2778 GPRESSURE: 734200 342.985 -84.5686 71.7813 -127.891 50.8642 -83.6286 -22.545 -74.5516 15.055 PRESSAVG: 734200 0.380933 -22.6675 -20.103 -22.6675 -21.9264 -57.5436 -20.103 -57.5437 13.3928 GPRESSAVG: 734200 0.966256 -23.7647 -21.8511 -20.2001 -21.4005 -57.8071 -19.2022 -56.2286 12.7082 TIMING: 734200 CPU: 2187.54, 0.00297961/step Wall: 2187.54, 0.00297961/step, 3.53067 hours remaining, 209.777344 MB of memory in use. ENERGY: 734200 705.0306 2081.7288 1944.7895 107.1669 -205980.3381 17677.7332 0.0000 0.0000 34571.9167 -148891.9726 301.9251 -183463.8892 -148794.4329 300.0982 107.4901 136.3013 558672.5747 -2.7176 -2.5753 PRESSURE: 734400 -89.5678 165.941 16.8372 165.94 199.54 -86.1737 16.8357 -86.1738 156.297 GPRESSURE: 734400 -130.435 184.056 -65.2575 125.388 282.714 -150.045 34.8502 12.3757 230.76 PRESSAVG: 734400 -0.90036 14.5259 52.022 14.5259 17.332 3.35379 52.0221 3.35366 -16.6892 GPRESSAVG: 734400 -2.12903 14.3365 53.6013 13.6513 17.3195 1.20894 51.8321 5.25954 -15.7031 TIMING: 734400 CPU: 2188.13, 0.00294088/step Wall: 2188.13, 0.00294088/step, 3.48462 hours remaining, 209.777344 MB of memory in use. ENERGY: 734400 709.5831 2045.4804 1927.7578 110.4596 -206020.5499 17876.5830 0.0000 0.0000 34435.9552 -148914.7307 300.7378 -183350.6860 -148809.0270 300.2351 88.7566 127.6796 557892.0753 -0.0859 -0.1709 PRESSURE: 734600 -161.445 39.6223 189.429 39.6214 -379.952 52.59 189.43 52.5907 -70.4267 GPRESSURE: 734600 -98.0966 101.504 114.793 -18.8908 -336.057 -27.8674 145.393 43.3236 -82.8202 PRESSAVG: 734600 -33.3678 28.9643 -41.6848 28.9642 -18.2343 -39.9764 -41.6848 -39.9761 24.8869 GPRESSAVG: 734600 -32.4013 28.3388 -41.976 28.8004 -19.6705 -38.1849 -42.9464 -43.4522 25.389 TIMING: 734600 CPU: 2188.73, 0.00297443/step Wall: 2188.73, 0.00297443/step, 3.52421 hours remaining, 209.777344 MB of memory in use. ENERGY: 734600 722.3756 2069.6133 1930.1627 108.2079 -205651.4436 17418.6460 0.0000 0.0000 34432.3035 -148970.1346 300.7059 -183402.4381 -148875.1558 300.6864 -203.9413 -172.3247 557799.9769 -8.9051 -8.8942 PRESSURE: 734800 1.83905 139.899 -21.0545 139.898 27.3496 -187.588 -21.0532 -187.587 -4.06486 GPRESSURE: 734800 49.7995 25.9832 -18.2795 207.806 25.8059 -127.219 82.1867 -276.557 43.0489 PRESSAVG: 734800 19.6353 -15.5912 -2.82171 -15.5911 24.3705 -35.3094 -2.82171 -35.3096 13.6569 GPRESSAVG: 734800 19.5109 -12.4703 -4.52423 -17.8471 24.1723 -34.1714 -1.71197 -34.0978 13.7931 TIMING: 734800 CPU: 2189.32, 0.00299447/step Wall: 2189.32, 0.00299447/step, 3.54778 hours remaining, 209.777344 MB of memory in use. ENERGY: 734800 751.9723 2066.7067 1933.5883 109.5743 -205941.9285 17759.5538 0.0000 0.0000 34061.2514 -149259.2816 297.4654 -183320.5330 -149166.9104 299.4289 8.3746 39.5514 558260.9130 19.2209 19.1588 PRESSURE: 735000 -102.993 -43.1889 113.619 -43.1893 295.526 5.70972 113.619 5.70989 -206.13 GPRESSURE: 735000 -38.6228 -35.8408 67.4761 -78.5142 300.073 -36.4893 155.909 -11.9611 -165.795 PRESSAVG: 735000 -0.277304 -40.9072 1.73001 -40.9072 -19.9765 -10.0887 1.72998 -10.0886 -0.709109 GPRESSAVG: 735000 -0.9063 -42.1536 3.67966 -41.5418 -19.5539 -11.437 1.84345 -8.84991 -0.267646 TIMING: 735000 CPU: 2189.92, 0.00297946/step Wall: 2189.92, 0.00297946/step, 3.52984 hours remaining, 209.777344 MB of memory in use. ENERGY: 735000 712.3962 2055.1370 1940.8854 113.3989 -206251.5582 17903.3308 0.0000 0.0000 34166.2286 -149360.1813 298.3822 -183526.4099 -149260.9166 298.4144 -4.5322 31.8850 559464.0049 -6.9876 -6.9093 PRESSURE: 735200 -33.3895 48.7351 61.2753 48.7354 35.6582 19.4907 61.2743 19.491 72.2839 GPRESSURE: 735200 37.1986 -2.49114 -16.921 94.1903 23.7647 51.8704 69.2825 40.255 120.809 PRESSAVG: 735200 42.3211 -3.80597 -41.7036 -3.80601 -39.2356 -9.51275 -41.7035 -9.51278 -20.0631 GPRESSAVG: 735200 42.38 -4.54597 -43.2527 -0.728147 -40.1422 -7.93571 -42.088 -8.96903 -19.3043 TIMING: 735200 CPU: 2190.52, 0.00299951/step Wall: 2190.52, 0.00299951/step, 3.55342 hours remaining, 209.777344 MB of memory in use. ENERGY: 735200 743.9240 2077.6837 1915.3892 110.5528 -206314.5732 17786.0051 0.0000 0.0000 34345.4075 -149335.6109 299.9470 -183681.0184 -149236.1995 298.9392 24.8509 60.5909 557669.1653 -5.6592 -5.6888 PRESSURE: 735400 -158.024 3.05072 -47.6969 3.04935 188.062 -19.4806 -47.698 -19.4811 -184.991 GPRESSURE: 735400 -36.4696 14.6946 -105.356 22.9131 144.592 -13.6956 -87.8205 -45.5788 -179.468 PRESSAVG: 735400 -65.7394 -2.73024 -30.8971 -2.73033 26.3215 14.2394 -30.8972 14.2394 2.02155 GPRESSAVG: 735400 -63.9776 -2.40305 -29.6405 -4.45327 25.8001 12.1634 -31.3141 13.3327 0.0431593 TIMING: 735400 CPU: 2191.12, 0.00299234/step Wall: 2191.12, 0.00299234/step, 3.54476 hours remaining, 209.777344 MB of memory in use. ENERGY: 735400 728.6091 2103.7325 1944.0217 124.3942 -206388.3800 17838.0821 0.0000 0.0000 34145.9516 -149503.5888 298.2051 -183649.5404 -149407.7498 299.6280 -51.6507 -23.7820 557836.8815 -12.4654 -12.7115 PRESSURE: 735600 -13.1889 47.9573 -25.9381 47.9584 -68.685 -128.755 -25.937 -128.754 158.952 GPRESSURE: 735600 37.531 83.4356 -12.0654 -1.73102 -21.0888 -199.02 13.2497 -63.4499 149.661 PRESSAVG: 735600 -11.9415 -17.7589 -21.218 -17.7589 28.1568 13.8503 -21.218 13.8504 -29.9954 GPRESSAVG: 735600 -13.4439 -18.2646 -22.075 -16.4282 27.9746 13.8616 -18.9546 13.6077 -28.1794 TIMING: 735600 CPU: 2191.72, 0.00299158/step Wall: 2191.72, 0.00299158/step, 3.5437 hours remaining, 209.777344 MB of memory in use. ENERGY: 735600 747.8702 2070.0836 1916.5318 117.9044 -206755.3582 17999.9583 0.0000 0.0000 34319.8352 -149583.1747 299.7237 -183903.0099 -149486.0136 298.2954 25.6927 55.3678 557709.8787 -4.5934 -4.5496 PRESSURE: 735800 -111.255 99.0116 119.801 99.0116 169.097 130.948 119.801 130.948 -122.342 GPRESSURE: 735800 -49.3981 14.3082 136.051 176.264 101.27 125.437 71.0617 120.368 -25.5263 PRESSAVG: 735800 -5.10575 -31.5133 -49.3635 -31.5132 63.4454 5.54823 -49.3635 5.54816 -33.6953 GPRESSAVG: 735800 -3.78638 -31.3773 -49.3476 -30.7487 63.3358 6.11209 -48.3182 5.33646 -34.3375 TIMING: 735800 CPU: 2192.32, 0.00298802/step Wall: 2192.32, 0.00298802/step, 3.5393 hours remaining, 209.777344 MB of memory in use. ENERGY: 735800 765.1189 2059.5684 1916.2101 126.1952 -206617.4001 17921.7108 0.0000 0.0000 34214.0339 -149614.5627 298.7997 -183828.5966 -149523.0838 298.9644 -21.5002 8.7820 556241.0900 8.2148 8.4040 PRESSURE: 736000 -145.525 181.502 59.5931 181.501 44.0928 -33.2624 59.5917 -33.2632 -54.5374 GPRESSURE: 736000 -76.4538 173.265 -4.26083 92.2693 49.226 -5.37994 0.141806 15.2376 -28.9013 PRESSAVG: 736000 13.0812 26.2356 12.2646 26.2355 -6.72484 43.6104 12.2645 43.6105 -17.2512 GPRESSAVG: 736000 12.971 26.7277 11.737 23.5395 -4.90578 44.0206 10.6059 45.0057 -19.1713 TIMING: 736000 CPU: 2192.91, 0.00296885/step Wall: 2192.91, 0.00296885/step, 3.51643 hours remaining, 209.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 736000 737.1950 2056.4848 1934.4333 128.1312 -206346.6967 17806.5470 0.0000 0.0000 34144.8883 -149539.0171 298.1958 -183683.9054 -149440.1520 299.2677 -51.9900 -18.7097 557339.7885 -3.6316 -3.7020 PRESSURE: 736200 -18.2312 -116.124 105.136 -116.125 61.568 34.7284 105.134 34.7283 -154.749 GPRESSURE: 736200 67.4298 -60.1229 187.467 -82.606 12.2701 -7.80153 23.8154 9.39388 -103.062 PRESSAVG: 736200 -3.74376 35.2141 16.4523 35.2142 -28.8259 -29.0718 16.4522 -29.0718 34.8633 GPRESSAVG: 736200 -3.14435 35.8088 18.2712 36.3644 -29.4704 -29.513 15.0505 -30.4264 35.4397 TIMING: 736200 CPU: 2193.51, 0.00298853/step Wall: 2193.51, 0.00298853/step, 3.53959 hours remaining, 209.777344 MB of memory in use. ENERGY: 736200 766.6728 2144.0996 1944.5824 104.4020 -206221.5283 17773.2741 0.0000 0.0000 34291.3896 -149197.1078 299.4752 -183488.4974 -149105.4300 299.6281 -37.1373 -7.7875 557152.8678 0.7645 0.9416 LDB: ============= START OF LOAD BALANCING ============== 2197.06 LDB: ============== END OF LOAD BALANCING =============== 2197.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2197.06 LDB: ============= START OF LOAD BALANCING ============== 2197.36 LDB: Largest compute 4773 load 0.028121 is 23.8% of average load 0.118077 LDB: Average compute 0.001735 is 1.5% of average load 0.118077 LDB: TIME 2197.36 LOAD: AVG 0.118077 MAX 0.206787 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.523 MB LDB: TIME 2197.36 LOAD: AVG 0.118077 MAX 0.206787 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.527 MB LDB: TIME 2197.36 LOAD: AVG 0.118077 MAX 0.206787 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.527 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2197.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2197.37 PRESSURE: 736400 8.35291 -281.421 99.7441 -281.423 135.899 -131.512 99.7443 -131.512 217.936 GPRESSURE: 736400 -28.6172 -183.027 135.675 -325.163 172.205 -90.4316 108.087 -192.781 325.278 PRESSAVG: 736400 -38.6693 -19.6611 51.1967 -19.6611 2.06661 -27.9021 51.1968 -27.9022 45.3456 GPRESSAVG: 736400 -39.3587 -19.655 50.1465 -20.6077 1.60392 -26.8306 50.5989 -28.857 46.1745 TIMING: 736400 CPU: 2194.12, 0.00305162/step Wall: 2194.12, 0.00305162/step, 3.61414 hours remaining, 206.687500 MB of memory in use. ENERGY: 736400 712.9435 2097.4587 1936.3134 107.7606 -206247.0078 17793.7291 0.0000 0.0000 34325.4172 -149273.3853 299.7724 -183598.8025 -149173.7089 299.7786 120.7293 156.2885 557989.1543 2.9143 2.8066 PRESSURE: 736600 -115.237 140.658 57.3326 140.657 3.98547 40.2361 57.332 40.2368 256.845 GPRESSURE: 736600 -82.8426 45.4293 23.639 142.125 60.3986 37.4367 82.259 -67.5288 274.235 PRESSAVG: 736600 -52.1781 24.3924 -2.76379 24.3924 -19.2839 12.3762 -2.76377 12.3763 83.5484 GPRESSAVG: 736600 -51.2863 22.6587 -3.00109 24.4409 -19.299 11.3492 -1.16738 13.8779 82.289 TIMING: 736600 CPU: 2194.72, 0.00300677/step Wall: 2194.72, 0.00300677/step, 3.56085 hours remaining, 206.687500 MB of memory in use. ENERGY: 736600 739.3314 2156.4481 1942.2390 113.9694 -206506.5569 17917.3557 0.0000 0.0000 34410.7806 -149226.4327 300.5179 -183637.2133 -149124.7048 300.0306 48.5314 83.9304 557834.0153 4.0288 3.9012 PRESSURE: 736800 105.607 -27.094 -249.011 -27.0961 -150.876 -176.006 -249.011 -176.007 94.4486 GPRESSURE: 736800 156.191 13.8945 -282.025 26.3858 -127.019 -187.769 -222.985 -209.021 127.094 PRESSAVG: 736800 12.127 97.4572 -4.96385 97.4572 10.7435 -20.5099 -4.96382 -20.5099 26.4449 GPRESSAVG: 736800 10.2749 98.667 -0.776514 98.8276 10.4637 -18.0035 -9.18936 -21.9448 28.2382 TIMING: 736800 CPU: 2195.32, 0.00302895/step Wall: 2195.32, 0.00302895/step, 3.58695 hours remaining, 206.687500 MB of memory in use. ENERGY: 736800 775.4055 2089.7077 1940.3710 116.9029 -206198.3664 17798.6379 0.0000 0.0000 34245.7492 -149231.5922 299.0766 -183477.3414 -149129.5117 300.2028 16.3932 52.0888 557008.2433 16.4385 16.3256 PRESSURE: 737000 -17.5059 20.3938 63.5246 20.3937 -67.641 -8.52789 63.5229 -8.52808 169.558 GPRESSURE: 737000 -3.34906 -19.4251 145.875 21.3173 -22.3876 -85.982 -43.1004 26.7757 202.459 PRESSAVG: 737000 -19.2842 57.8461 7.45953 57.8461 13.6083 50.6438 7.45952 50.6438 51.4212 GPRESSAVG: 737000 -18.9855 58.4029 3.90405 56.1988 15.5783 47.9721 10.1126 50.2192 49.3716 TIMING: 737000 CPU: 2195.93, 0.00300821/step Wall: 2195.93, 0.00300821/step, 3.56222 hours remaining, 206.687500 MB of memory in use. ENERGY: 737000 750.0446 2129.9729 1933.6909 115.5650 -206001.7687 17731.8187 0.0000 0.0000 34191.0561 -149149.6205 298.5990 -183340.6766 -149049.4815 299.2969 28.1371 58.9074 557623.8572 15.2484 15.3215 PRESSURE: 737200 114.181 11.1036 90.2321 11.1058 179.497 -174.646 90.2307 -174.645 64.2015 GPRESSURE: 737200 125.195 73.7388 -7.34603 83.5918 231.331 -213.933 74.8679 -113.178 90.7966 PRESSAVG: 737200 -10.3613 13.6197 -2.63053 13.6197 29.1599 -7.3686 -2.6305 -7.36854 26.2225 GPRESSAVG: 737200 -9.71834 15.2179 -2.74996 13.6389 27.6919 -5.4854 -0.828679 -7.3726 26.8196 TIMING: 737200 CPU: 2196.52, 0.00298661/step Wall: 2196.52, 0.00298661/step, 3.53648 hours remaining, 206.687500 MB of memory in use. ENERGY: 737200 775.4973 2107.5972 1963.0213 118.2874 -206460.6793 18035.9554 0.0000 0.0000 34243.2879 -149217.0328 299.0551 -183460.3207 -149124.5960 298.9306 119.2932 149.1077 555606.6401 15.0070 14.9311 PRESSURE: 737400 -215.598 144.238 53.995 144.239 -3.77426 93.1527 53.9963 93.1512 -38.5033 GPRESSURE: 737400 -250.718 218.946 37.5283 81.986 61.8254 118.065 15.0928 126.841 25.6032 PRESSAVG: 737400 -46.6946 -20.1145 7.04957 -20.1145 -41.0199 -9.65178 7.0495 -9.65189 33.1799 GPRESSAVG: 737400 -46.4845 -21.3252 8.19765 -20.2966 -41.8437 -12.0945 6.94704 -6.0749 34.1378 TIMING: 737400 CPU: 2197.12, 0.00296768/step Wall: 2197.12, 0.00296768/step, 3.5139 hours remaining, 206.687500 MB of memory in use. ENERGY: 737400 749.3332 2072.1687 1941.4556 108.2545 -206164.3324 17693.8496 0.0000 0.0000 34210.7221 -149388.5488 298.7707 -183599.2709 -149297.4538 299.1335 -85.9587 -54.4298 557483.0130 -18.1782 -18.0635 PRESSURE: 737600 -280.747 155.905 -40.7612 155.906 -80.9517 102.232 -40.7612 102.232 -183.809 GPRESSURE: 737600 -280.77 175.673 -87.0334 169.949 -60.5283 33.2323 3.01656 105.009 -110.612 PRESSAVG: 737600 12.7965 28.6576 -10.9616 28.6576 9.13568 5.74445 -10.9616 5.74451 24.8151 GPRESSAVG: 737600 12.7059 28.2319 -12.7033 27.7743 10.9648 6.6917 -10.5852 3.62072 23.3323 TIMING: 737600 CPU: 2197.71, 0.00298824/step Wall: 2197.71, 0.00298824/step, 3.53808 hours remaining, 206.687500 MB of memory in use. ENERGY: 737600 735.3115 2121.1473 1914.9454 114.8912 -205904.6213 17494.4873 0.0000 0.0000 34360.5864 -149163.2522 300.0795 -183523.8386 -149063.9300 299.1203 -181.8359 -150.6367 558097.7079 15.5824 15.6677 PRESSURE: 737800 -68.6221 99.4747 130.442 99.4761 -101.222 10.8421 130.441 10.8419 -226.778 GPRESSURE: 737800 -27.602 97.8798 123.128 130.735 -42.4566 16.3756 131.751 40.0143 -226.347 PRESSAVG: 737800 -58.8398 56.3142 37.5236 56.3143 88.1534 4.06023 37.5236 4.06028 9.2341 GPRESSAVG: 737800 -59.0522 55.4616 39.1054 57.6435 87.1475 6.64403 36.2725 2.96202 10.8246 TIMING: 737800 CPU: 2198.31, 0.00297226/step Wall: 2198.31, 0.00297226/step, 3.51899 hours remaining, 206.687500 MB of memory in use. ENERGY: 737800 725.6829 2104.6321 1916.4211 109.6711 -205844.5543 17728.5433 0.0000 0.0000 34212.8157 -149046.7881 298.7890 -183259.6038 -148944.6288 299.6022 -132.2074 -98.8018 556926.3756 12.8492 12.9733 PRESSURE: 738000 -242.28 36.8337 -125.465 36.8337 -274.912 117.3 -125.465 117.299 -262.678 GPRESSURE: 738000 -190.62 121.91 -34.0287 0.60077 -236.371 155.712 -157.676 52.7318 -247.306 PRESSAVG: 738000 12.6343 37.1181 -0.759364 37.1182 -10.2245 -8.55832 -0.759413 -8.55838 8.85786 GPRESSAVG: 738000 13.4283 39.2286 -0.870035 35.9607 -10.6036 -9.87925 -1.80161 -7.63371 9.83014 TIMING: 738000 CPU: 2198.9, 0.00297/step Wall: 2198.9, 0.00297/step, 3.51615 hours remaining, 206.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 738000 747.8314 2121.1908 1893.2215 107.9866 -205705.6445 17447.9301 0.0000 0.0000 34303.9989 -149083.4852 299.5854 -183387.4841 -148986.8768 299.7751 -259.9568 -224.7655 558001.8180 3.7559 4.2183 PRESSURE: 738200 -32.9634 -26.916 128.638 -26.9165 16.1049 -102.212 128.638 -102.214 98.4624 GPRESSURE: 738200 6.35279 -71.433 111.885 38.1288 66.5488 -174.787 162.221 -125.516 95.6952 PRESSAVG: 738200 -9.00699 20.7758 1.96024 20.7758 23.8906 23.2278 1.96023 23.2278 10.2891 GPRESSAVG: 738200 -9.13998 18.6171 1.95507 23.6635 25.5333 22.2759 3.91277 23.6641 8.78257 TIMING: 738200 CPU: 2199.5, 0.00297386/step Wall: 2199.5, 0.00297386/step, 3.52055 hours remaining, 206.687500 MB of memory in use. ENERGY: 738200 724.4689 2097.6596 1920.9519 97.0492 -205815.0036 17602.0578 0.0000 0.0000 34552.6350 -148820.1812 301.7568 -183372.8162 -148732.4609 299.8910 27.2013 56.1989 557499.7361 8.3909 8.3920 PRESSURE: 738400 -221.554 -160.552 53.593 -160.552 21.8223 -102.306 53.5929 -102.308 -116.06 GPRESSURE: 738400 -215.434 -235.269 135.589 -133.197 114.557 -90.4247 -11.9955 -136.175 -100.151 PRESSAVG: 738400 -23.9654 -31.2024 17.8133 -31.2024 79.7583 -44.1714 17.8133 -44.1715 -96.2915 GPRESSAVG: 738400 -24.2863 -31.0813 17.733 -34.0724 80.1652 -46.8028 16.5851 -42.6038 -96.2166 TIMING: 738400 CPU: 2200.1, 0.00300467/step Wall: 2200.1, 0.00300467/step, 3.55687 hours remaining, 206.687500 MB of memory in use. ENERGY: 738400 755.6163 2017.9966 1925.1621 94.3636 -205901.8195 17721.3213 0.0000 0.0000 34359.4440 -149027.9156 300.0696 -183387.3596 -148928.6928 300.3123 -105.2639 -67.0095 558593.5052 -13.4995 -13.4459 PRESSURE: 738600 203.321 -43.6451 140.58 -43.6446 -30.7879 117.17 140.581 117.171 122.164 GPRESSURE: 738600 222.435 -29.1489 166.226 -94.3975 37.0154 173.257 177.671 -6.34604 130.095 PRESSAVG: 738600 -22.8455 -42.3929 -30.7772 -42.393 7.95664 -49.1947 -30.7772 -49.1947 8.6754 GPRESSAVG: 738600 -22.9867 -42.7098 -30.0024 -40.8833 7.8482 -47.4366 -30.4004 -50.5846 8.66514 TIMING: 738600 CPU: 2200.69, 0.00297074/step Wall: 2200.69, 0.00297074/step, 3.51653 hours remaining, 206.687500 MB of memory in use. ENERGY: 738600 741.0047 2080.3788 1917.5324 122.0891 -206071.2122 17953.8356 0.0000 0.0000 34238.5812 -149017.7904 299.0140 -183256.3716 -148924.7077 300.1222 98.2321 129.8488 557280.9147 -2.0711 -2.1578 PRESSURE: 738800 -24.7368 37.3175 201.357 37.3185 54.1077 -148.223 201.357 -148.223 -52.9015 GPRESSURE: 738800 -15.2986 8.8685 121.792 61.5452 140.945 -121.78 220.605 -94.002 -54.4788 PRESSAVG: 738800 26.2196 -100.894 61.3719 -100.894 3.59302 -18.7657 61.3718 -18.7657 -0.286634 GPRESSAVG: 738800 27.1063 -101.211 60.5209 -99.703 3.18886 -19.0863 62.158 -17.8141 -0.259202 TIMING: 738800 CPU: 2201.29, 0.00297463/step Wall: 2201.29, 0.00297463/step, 3.52097 hours remaining, 206.687500 MB of memory in use. ENERGY: 738800 712.9518 2087.4506 1902.0696 125.7679 -205918.9505 17638.7238 0.0000 0.0000 34378.7822 -149073.2045 300.2385 -183451.9867 -148978.6975 298.9564 -7.8435 23.7226 556537.6097 9.8420 10.0120 PRESSURE: 739000 -110.693 -69.622 126.963 -69.6221 -73.5598 -82.533 126.963 -82.5341 -71.4405 GPRESSURE: 739000 -56.3733 -47.6518 144.895 -131.016 -25.1716 -125.743 114.568 -36.6186 -66.482 PRESSAVG: 739000 -27.7288 -26.5218 79.3096 -26.5218 25.0701 0.157385 79.3096 0.157426 39.3969 GPRESSAVG: 739000 -28.1964 -26.1844 79.7388 -28.7161 25.4498 0.784297 79.8428 -0.202221 40.0138 TIMING: 739000 CPU: 2201.88, 0.00296405/step Wall: 2201.88, 0.00296404/step, 3.50828 hours remaining, 206.687500 MB of memory in use. ENERGY: 739000 784.6877 2054.5882 1923.5758 102.5805 -205762.3195 17601.4799 0.0000 0.0000 34368.8530 -148926.5544 300.1517 -183295.4074 -148827.0710 299.9257 -85.2312 -49.3423 557581.4044 12.2461 12.4224 PRESSURE: 739200 249.807 -123.584 29.0609 -123.584 252.31 -58.4762 29.0607 -58.477 250.164 GPRESSURE: 739200 282.951 -190.124 57.0211 -118.947 312.334 -94.6659 -54.18 -64.0678 258.038 PRESSAVG: 739200 -30.6835 1.12906 32.5736 1.12896 3.33836 -13.6475 32.5735 -13.6475 79.7795 GPRESSAVG: 739200 -30.8656 1.6673 29.5753 2.97688 4.52808 -13.9495 33.7859 -16.1959 79.4636 TIMING: 739200 CPU: 2202.47, 0.00295585/step Wall: 2202.47, 0.00295585/step, 3.49842 hours remaining, 206.687500 MB of memory in use. ENERGY: 739200 756.2718 2047.8611 1963.6509 111.9230 -205985.5734 17964.0208 0.0000 0.0000 34312.7488 -148829.0970 299.6618 -183141.8458 -148738.6248 300.3167 250.7605 284.4408 557466.3036 17.4781 17.7087 PRESSURE: 739400 -8.14231 99.0063 105.535 99.0059 37.1246 38.2091 105.535 38.2091 29.8152 GPRESSURE: 739400 2.21103 44.8416 172.075 192.043 96.7634 45.1984 54.3883 -55.4549 47.5943 PRESSAVG: 739400 9.99841 9.24367 48.6735 9.24365 3.85084 9.33968 48.6734 9.33967 -27.1557 GPRESSAVG: 739400 10.1637 10.398 50.8314 9.01936 4.17493 9.85532 46.1378 11.0736 -27.8621 TIMING: 739400 CPU: 2203.07, 0.00298144/step Wall: 2203.07, 0.00298144/step, 3.52854 hours remaining, 206.687500 MB of memory in use. ENERGY: 739400 755.3324 2088.1726 1947.9591 100.6583 -206135.2776 17957.2143 0.0000 0.0000 34471.4455 -148814.4954 301.0477 -183285.9409 -148718.2376 300.0081 19.5992 48.8562 559388.4613 -4.4355 -4.5078 PRESSURE: 739600 -190.414 -124.739 -5.20287 -124.739 -224.962 -28.2896 -5.20324 -28.2876 -119.748 GPRESSURE: 739600 -206.139 -173.781 64.8714 -85.3615 -176.523 -42.6005 -48.8348 -37.128 -52.895 PRESSAVG: 739600 31.4069 24.7576 38.4574 24.7576 -6.13331 -2.42802 38.4575 -2.42807 27.2194 GPRESSAVG: 739600 31.2016 25.5029 38.5568 24.0352 -6.30442 -2.29425 38.9947 -3.56499 27.5147 TIMING: 739600 CPU: 2203.66, 0.00294146/step Wall: 2203.66, 0.00294146/step, 3.48106 hours remaining, 206.687500 MB of memory in use. ENERGY: 739600 738.8482 2137.2107 1905.4168 107.6910 -205499.3823 17585.8811 0.0000 0.0000 34324.6767 -148699.6578 299.7659 -183024.3345 -148608.9145 300.2047 -178.3748 -145.1857 559202.5077 17.4977 17.4706 PRESSURE: 739800 -111.605 -136.109 63.5173 -136.11 103.01 -81.6235 63.5177 -81.6243 -308.175 GPRESSURE: 739800 -97.6998 -152.315 101.677 -114.068 156.336 7.85625 60.2615 -10.7842 -272.134 PRESSAVG: 739800 -60.7711 44.8255 -25.265 44.8255 -24.9549 -15.5476 -25.265 -15.5477 44.9348 GPRESSAVG: 739800 -59.6637 41.467 -24.1514 46.1096 -24.9568 -17.1552 -25.4551 -12.7239 44.4878 TIMING: 739800 CPU: 2204.24, 0.00293405/step Wall: 2204.24, 0.00293405/step, 3.47213 hours remaining, 206.687500 MB of memory in use. ENERGY: 739800 770.3147 2069.4833 1927.7245 112.3221 -205580.5620 17497.4232 0.0000 0.0000 34375.6199 -148827.6744 300.2108 -183203.2943 -148727.6846 300.5131 -105.5899 -71.1661 557807.8744 -13.5971 -13.3776 PRESSURE: 740000 61.3075 61.0052 -60.9364 61.0048 18.6441 92.4848 -60.9376 92.4846 -267.269 GPRESSURE: 740000 42.1841 103.622 -102.856 70.8085 78.8406 113.207 2.84443 -17.1326 -205.219 PRESSAVG: 740000 -0.927766 18.9269 0.0415433 18.9269 3.07661 -22.9325 0.0415299 -22.9325 8.32648 GPRESSAVG: 740000 -2.43451 23.5573 0.000471456 17.708 3.90567 -22.4352 -0.791792 -24.4032 9.01856 TIMING: 740000 CPU: 2204.83, 0.00295642/step Wall: 2204.83, 0.00295642/step, 3.49843 hours remaining, 206.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 740000 728.7075 2114.3061 1959.1084 113.2460 -205592.1653 17607.9584 0.0000 0.0000 34411.2795 -148657.5593 300.5223 -183068.8388 -148566.3130 299.9908 -62.4391 -28.0647 557721.1141 3.4918 3.4966 PRESSURE: 740200 242.733 -29.1074 145.131 -29.1073 19.411 133.412 145.131 133.413 166.259 GPRESSURE: 740200 261.042 -82.1219 109.871 -29.7945 116.255 129.535 74.5663 140.007 138.297 PRESSAVG: 740200 -43.265 -6.49751 26.1857 -6.4975 58.9381 -29.5816 26.1858 -29.5816 -22.931 GPRESSAVG: 740200 -42.6794 -10.1357 25.8905 -5.94641 57.534 -28.5428 25.9524 -30.9454 -21.9305 TIMING: 740200 CPU: 2205.43, 0.00299197/step Wall: 2205.43, 0.00299197/step, 3.54033 hours remaining, 206.687500 MB of memory in use. ENERGY: 740200 699.5253 2128.2426 1977.9601 108.6313 -205995.4820 17840.8496 0.0000 0.0000 34524.8150 -148715.4580 301.5138 -183240.2731 -148615.5607 300.7602 142.8008 171.8649 556974.0912 -2.4193 -2.3587 LDB: ============= START OF LOAD BALANCING ============== 2208.99 LDB: ============== END OF LOAD BALANCING =============== 2208.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2208.99 LDB: ============= START OF LOAD BALANCING ============== 2209.29 LDB: Largest compute 4773 load 0.028291 is 24.0% of average load 0.118111 LDB: Average compute 0.001730 is 1.5% of average load 0.118111 LDB: TIME 2209.29 LOAD: AVG 0.118111 MAX 0.207399 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.973 MB LDB: TIME 2209.29 LOAD: AVG 0.118111 MAX 0.207399 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.207 MB LDB: TIME 2209.29 LOAD: AVG 0.118111 MAX 0.207399 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.207 MB LDB: ============== END OF LOAD BALANCING =============== 2209.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2209.3 PRESSURE: 740400 54.1582 87.6556 263.153 87.6535 -32.4729 -116.565 263.152 -116.566 241.817 GPRESSURE: 740400 34.8187 245.506 271.17 3.24086 -6.38716 -70.9433 208.617 -70.3557 315.143 PRESSAVG: 740400 16.856 12.7529 74.585 12.753 11.9308 -53.9814 74.5849 -53.9814 23.9492 GPRESSAVG: 740400 16.6186 13.1037 72.3669 11.2189 11.5303 -55.6558 75.2188 -52.0308 24.7707 TIMING: 740400 CPU: 2206.05, 0.00308342/step Wall: 2206.05, 0.00308342/step, 3.64837 hours remaining, 206.433594 MB of memory in use. ENERGY: 740400 730.4711 2191.8042 1941.3721 104.9345 -205780.4070 17782.0589 0.0000 0.0000 34359.0584 -148670.7077 300.0662 -183029.7661 -148570.2126 301.1064 87.8341 114.5249 557853.1257 17.5787 17.6399 PRESSURE: 740600 -73.5269 159.171 -5.78484 159.172 -182.204 87.3433 -5.78516 87.3436 58.0921 GPRESSURE: 740600 -47.0667 197.535 28.0497 63.4054 -139.033 75.0523 18.1013 -0.219501 84.6513 PRESSAVG: 740600 -5.53969 42.8157 8.72231 42.8157 11.4639 16.2319 8.72224 16.2318 34.5752 GPRESSAVG: 740600 -6.01513 43.9363 10.1198 44.43 12.5076 16.6939 7.90524 15.2651 33.8541 TIMING: 740600 CPU: 2206.65, 0.00300117/step Wall: 2206.65, 0.00300117/step, 3.55088 hours remaining, 206.632812 MB of memory in use. ENERGY: 740600 780.3668 2116.9180 1972.3880 112.5813 -205670.0686 17729.0475 0.0000 0.0000 34230.4737 -148728.2935 298.9432 -182958.7671 -148634.9143 300.4492 -65.8795 -33.8161 558410.8960 13.4998 13.4489 PRESSURE: 740800 159.717 15.7649 124.13 15.7628 -177.437 -108.788 124.132 -108.789 86.9838 GPRESSURE: 740800 176.06 -18.5572 183.132 -34.5624 -157.911 -62.653 82.6761 -145.358 138.312 PRESSAVG: 740800 -34.6287 98.5018 30.9258 98.5018 19.0067 41.3453 30.9259 41.3453 27.6054 GPRESSAVG: 740800 -34.7319 97.725 31.3259 97.5281 19.2907 42.6635 31.7076 41.7028 28.1027 TIMING: 740800 CPU: 2207.25, 0.00299744/step Wall: 2207.25, 0.00299744/step, 3.5463 hours remaining, 206.632812 MB of memory in use. ENERGY: 740800 711.8704 2111.6248 1956.4787 114.1330 -205945.5273 17922.1488 0.0000 0.0000 34361.2109 -148768.0607 300.0850 -183129.2716 -148678.9558 300.4057 23.0881 52.1536 559191.5557 3.9945 4.2205 PRESSURE: 741000 36.0601 68.1495 54.8531 68.1503 -123.116 86.3186 54.8526 86.3193 130.147 GPRESSURE: 741000 50.8169 129.518 23.944 117.885 -58.7506 38.8395 61.1444 162.866 138.732 PRESSAVG: 741000 51.7427 21.8327 46.5879 21.8327 -71.1345 37.239 46.5879 37.239 27.4183 GPRESSAVG: 741000 52.5424 22.0921 45.257 22.1353 -71.2293 36.6836 47.0707 34.4811 26.6068 TIMING: 741000 CPU: 2207.85, 0.00300071/step Wall: 2207.85, 0.00300071/step, 3.55001 hours remaining, 206.632812 MB of memory in use. ENERGY: 741000 743.4866 2148.9429 1943.4619 107.4757 -205817.0551 17829.7144 0.0000 0.0000 34274.5871 -148769.3865 299.3285 -183043.9736 -148669.7795 300.3924 14.3635 43.5993 559129.4028 2.6755 2.6400 PRESSURE: 741200 -164.168 -69.8587 32.9386 -69.8584 -192.212 205.419 32.938 205.419 -34.19 GPRESSURE: 741200 -107.469 -63.9354 75.0442 -102.033 -164.075 213.602 -24.5703 235.889 -14.506 PRESSAVG: 741200 -78.8042 63.8406 16.837 63.8406 -21.8998 39.4328 16.837 39.4328 74.6464 GPRESSAVG: 741200 -79.6851 64.6435 18.8065 63.7982 -21.2535 37.6812 17.9201 42.7665 74.7958 TIMING: 741200 CPU: 2208.45, 0.00299481/step Wall: 2208.45, 0.00299481/step, 3.54286 hours remaining, 206.632812 MB of memory in use. ENERGY: 741200 803.1882 2150.8982 1945.3940 105.4525 -205858.2749 17655.4311 0.0000 0.0000 34498.8344 -148699.0765 301.2869 -183197.9109 -148605.4372 300.1774 -130.1899 -95.3500 557318.5404 -8.6859 -8.7143 PRESSURE: 741400 200.63 62.116 84.481 62.1169 78.1473 274.85 84.4799 274.848 105.869 GPRESSURE: 741400 253.714 145.725 1.88101 19.2829 123.652 379.429 120.263 185.774 100.656 PRESSAVG: 741400 24.2943 24.4129 24.5223 24.413 54.0224 43.3425 24.5223 43.3425 -57.9579 GPRESSAVG: 741400 25.2357 22.8406 24.3713 25.2776 52.946 44.3872 22.7792 40.8944 -58.1476 TIMING: 741400 CPU: 2209.05, 0.0029903/step Wall: 2209.05, 0.0029903/step, 3.53736 hours remaining, 206.632812 MB of memory in use. ENERGY: 741400 718.1167 2050.8240 1944.1481 122.2187 -206108.8262 17891.9458 0.0000 0.0000 34450.6793 -148930.8936 300.8664 -183381.5730 -148836.3201 300.1269 128.2155 159.3405 556086.8606 6.7862 6.6780 PRESSURE: 741600 -42.4682 -66.6767 -130.964 -66.6781 131.174 -3.9923 -130.966 -3.99361 -163.128 GPRESSURE: 741600 -52.5487 -121.853 -129.224 -98.7909 250.903 13.3887 -111.336 32.7466 -167.628 PRESSAVG: 741600 66.6202 18.1953 0.0555563 18.1952 -18.209 -31.7197 0.055678 -31.7198 25.8327 GPRESSAVG: 741600 66.6795 17.9827 0.0123766 19.6483 -18.6323 -31.4035 1.29801 -28.0424 25.8646 TIMING: 741600 CPU: 2209.65, 0.00300781/step Wall: 2209.65, 0.00300781/step, 3.5579 hours remaining, 206.632812 MB of memory in use. ENERGY: 741600 790.5925 2068.7578 1942.4178 112.5922 -205926.6862 17782.0657 0.0000 0.0000 34296.8467 -148933.4136 299.5229 -183230.2603 -148842.0148 300.3490 -24.8073 10.2421 555378.0917 24.7480 24.6373 PRESSURE: 741800 203.14 96.1572 -144.696 96.1574 71.8008 100.671 -144.695 100.672 -131.213 GPRESSURE: 741800 221.592 108.939 -18.1733 88.3859 65.2509 49.2446 -226.348 71.1309 -47.9501 PRESSAVG: 741800 -15.9535 51.7219 28.3178 51.722 42.5797 4.66579 28.3177 4.66594 -10.5495 GPRESSAVG: 741800 -16.3486 51.7867 27.4216 49.7957 42.7825 3.46125 27.1187 2.0841 -10.5175 TIMING: 741800 CPU: 2210.25, 0.00300904/step Wall: 2210.25, 0.00300904/step, 3.55919 hours remaining, 206.632812 MB of memory in use. ENERGY: 741800 735.0355 2027.0059 1957.9723 111.8562 -205889.2766 17800.1100 0.0000 0.0000 34174.9137 -149082.3829 298.4580 -183257.2967 -148971.4396 299.8145 47.9093 79.6310 557454.0630 5.3589 5.3055 PRESSURE: 742000 -520.097 -117.079 75.5377 -117.079 -278.471 8.13676 75.5371 8.13658 -196.637 GPRESSURE: 742000 -469.095 -47.1708 -49.1826 -89.8137 -257.919 -10.6792 56.0083 53.8375 -158.202 PRESSAVG: 742000 4.33185 62.1826 -23.7771 62.1825 -15.7271 42.8355 -23.7771 42.8356 54.0229 GPRESSAVG: 742000 4.88409 60.2818 -24.7482 63.6272 -16.3617 43.5539 -23.6639 42.6793 54.4715 TIMING: 742000 CPU: 2210.85, 0.00298439/step Wall: 2210.85, 0.00298439/step, 3.52988 hours remaining, 206.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 742000 769.4911 2062.8728 1933.4487 123.1690 -205559.8215 17338.7654 0.0000 0.0000 34337.3458 -148994.7287 299.8766 -183332.0745 -148894.4749 300.6516 -331.7349 -295.0720 557566.0482 14.2092 14.3313 PRESSURE: 742200 -109.8 -217.066 2.56109 -217.066 -57.0563 -40.8026 2.55984 -40.8037 -293.546 GPRESSURE: 742200 -66.1295 -146.568 39.5808 -171.961 -57.315 24.1018 47.3336 -52.7327 -233.562 PRESSAVG: 742200 14.5339 -56.1815 -24.977 -56.1815 -42.7406 13.1553 -24.9771 13.1552 -5.36517 GPRESSAVG: 742200 15.0468 -52.6978 -25.9377 -58.0416 -42.3478 13.5474 -21.9851 15.7823 -6.65075 TIMING: 742200 CPU: 2211.45, 0.0030188/step Wall: 2211.45, 0.0030188/step, 3.5704 hours remaining, 206.632812 MB of memory in use. ENERGY: 742200 721.0445 2075.5673 1960.3853 108.9980 -205589.9945 17397.5171 0.0000 0.0000 34527.1831 -148799.2991 301.5345 -183326.4822 -148702.4102 300.8721 -153.4672 -119.0022 555647.3811 -11.1906 -11.3172 PRESSURE: 742400 -13.6438 6.18768 139.654 6.18731 -124.134 -166.461 139.655 -166.463 424.74 GPRESSURE: 742400 16.3968 -67.251 116.905 18.5303 -44.6625 -165.28 116.233 -146.791 406.525 PRESSAVG: 742400 -14.7648 -50.4794 22.1303 -50.4794 12.3224 -0.861766 22.1303 -0.861571 59.9401 GPRESSAVG: 742400 -16.0521 -51.4635 24.583 -49.6812 12.142 0.073319 19.1963 -1.05631 61.6421 TIMING: 742400 CPU: 2212.05, 0.00300913/step Wall: 2212.05, 0.00300913/step, 3.5588 hours remaining, 206.632812 MB of memory in use. ENERGY: 742400 722.2109 2090.7351 1937.7064 118.2371 -205932.1909 17806.0098 0.0000 0.0000 34501.2448 -148756.0467 301.3080 -183257.2915 -148662.4733 301.2279 95.6543 126.0865 555579.8293 19.1659 19.2440 PRESSURE: 742600 -52.8984 -18.4663 -186.7 -18.4654 -36.3826 56.0388 -186.701 56.0407 -24.689 GPRESSURE: 742600 -8.9408 21.0754 -238.653 5.89129 -27.3034 23.2209 -178.869 101.66 29.42 PRESSAVG: 742600 -30.468 -16.1263 -30.3306 -16.1263 -61.2044 5.73128 -30.3307 5.73123 108.872 GPRESSAVG: 742600 -29.5645 -16.3005 -32.0298 -16.9127 -59.8427 4.09062 -30.8708 5.62001 106.915 TIMING: 742600 CPU: 2212.65, 0.00300918/step Wall: 2212.65, 0.00300918/step, 3.55869 hours remaining, 206.632812 MB of memory in use. ENERGY: 742600 725.7086 2083.5988 1915.8596 130.4637 -206056.4726 17856.3050 0.0000 0.0000 34603.5255 -148741.0115 302.2012 -183344.5370 -148648.7588 300.6854 -37.9900 -2.2747 557607.6640 5.7331 5.8358 PRESSURE: 742800 51.538 197.985 56.7136 197.985 -102.675 -91.9375 56.7135 -91.9386 25.9148 GPRESSURE: 742800 103.987 271.165 38.1022 143.191 -87.9206 -85.3353 78.2666 -39.3386 77.2678 PRESSAVG: 742800 -12.9674 2.70065 -36.5798 2.7006 -44.6218 -11.3552 -36.58 -11.3552 -9.65233 GPRESSAVG: 742800 -13.0652 4.75045 -35.9504 1.9201 -45.4525 -11.6741 -36.3131 -10.9783 -8.64165 TIMING: 742800 CPU: 2213.26, 0.00302926/step Wall: 2213.26, 0.00302926/step, 3.58227 hours remaining, 206.632812 MB of memory in use. ENERGY: 742800 731.5861 2127.6033 1936.3583 130.6688 -205794.1079 17760.9885 0.0000 0.0000 34437.3984 -148669.5046 300.7504 -183106.9030 -148574.0948 300.6235 -8.4074 31.1115 556978.4567 -22.4138 -22.3864 PRESSURE: 743000 -230.379 -15.4104 142.157 -15.41 241.78 58.8703 142.158 58.8719 -32.0089 GPRESSURE: 743000 -232.91 -66.3907 56.2669 44.3276 304.919 -23.8374 93.6721 64.3657 -0.779836 PRESSAVG: 743000 -4.41458 -1.92424 15.1811 -1.92423 14.7335 3.21843 15.1812 3.21847 33.4322 GPRESSAVG: 743000 -4.05666 -2.74813 13.2996 -0.521706 14.5751 3.54854 16.9405 3.8543 32.9681 TIMING: 743000 CPU: 2213.86, 0.00298221/step Wall: 2213.86, 0.00298221/step, 3.52646 hours remaining, 206.632812 MB of memory in use. ENERGY: 743000 736.0613 2083.2847 1942.6218 103.4440 -205402.2685 17519.2682 0.0000 0.0000 34411.0643 -148606.5242 300.5204 -183017.5885 -148508.7142 301.1936 -6.8694 23.7432 556116.5129 14.5837 14.4955 PRESSURE: 743200 -62.4861 -12.662 -70.3654 -12.6621 40.9728 8.00157 -70.3652 8.00262 102.075 GPRESSURE: 743200 -71.8334 -34.5531 -124.316 -36.5334 124.266 36.3117 -28.3683 -67.454 115.031 PRESSAVG: 743200 31.5571 -18.5227 14.3668 -18.5226 39.5654 -28.2735 14.3668 -28.2736 -51.8046 GPRESSAVG: 743200 30.6047 -19.6842 15.77 -20.441 39.7176 -27.5508 13.5626 -29.6773 -50.8426 TIMING: 743200 CPU: 2214.46, 0.00299568/step Wall: 2214.46, 0.00299568/step, 3.54222 hours remaining, 206.632812 MB of memory in use. ENERGY: 743200 797.1464 2046.5230 1924.6417 111.3641 -205734.9529 17815.6754 0.0000 0.0000 34361.8804 -148677.7219 300.0908 -183039.6023 -148583.6795 300.9959 26.8539 55.8212 556908.9544 6.4393 6.4932 PRESSURE: 743400 35.5782 -34.1324 -2.48146 -34.1346 84.0251 -3.6478 -2.48062 -3.64904 -121.006 GPRESSURE: 743400 89.4501 -31.2932 -38.2246 12.6604 102.809 38.1649 100.788 -63.2785 -104.605 PRESSAVG: 743400 16.7939 -52.8546 -27.3832 -52.8546 13.2072 -31.0608 -27.3832 -31.0608 -20.196 GPRESSAVG: 743400 17.4829 -51.6491 -26.5481 -49.5814 14.1491 -31.5721 -25.5394 -31.9925 -21.8185 TIMING: 743400 CPU: 2215.05, 0.00297493/step Wall: 2215.05, 0.00297493/step, 3.51752 hours remaining, 206.632812 MB of memory in use. ENERGY: 743400 765.9276 2049.6235 1972.6063 112.9180 -205604.9807 17648.3466 0.0000 0.0000 34352.1856 -148703.3732 300.0062 -183055.5588 -148605.9054 300.8972 -0.4676 29.2182 558299.5665 3.2684 3.2712 PRESSURE: 743600 57.2616 -119.25 -119.342 -119.25 262.855 -209.843 -119.341 -209.842 -0.956672 GPRESSURE: 743600 122.105 -145.638 -83.8996 -107.969 266.418 -213.869 -79.0488 -214.54 34.8202 PRESSAVG: 743600 7.12538 -27.7386 -66.7157 -27.7385 27.6422 -7.88077 -66.7157 -7.88084 -22.3555 GPRESSAVG: 743600 6.86434 -30.0953 -67.3653 -28.3449 26.7007 -7.1408 -67.07 -7.67007 -21.4541 TIMING: 743600 CPU: 2215.65, 0.00299186/step Wall: 2215.65, 0.00299186/step, 3.53737 hours remaining, 206.632812 MB of memory in use. ENERGY: 743600 748.7479 2092.2472 1964.7935 122.9543 -205862.4864 17636.8101 0.0000 0.0000 34637.0379 -148659.8955 302.4939 -183296.9333 -148562.9751 300.4657 106.3868 141.1142 556341.2352 4.1374 4.0370 PRESSURE: 743800 -0.18732 126.421 -148.865 126.42 239.661 -93.5147 -148.865 -93.5164 338.63 GPRESSURE: 743800 -1.07814 209.113 -221.281 56.6612 266.991 -135.132 -106.943 -30.7429 398.606 PRESSAVG: 743800 4.70049 -11.168 -2.21976 -11.168 6.2907 -62.6147 -2.21969 -62.6147 14.3875 GPRESSAVG: 743800 4.17602 -10.2877 -1.80824 -12.4989 5.83262 -62.9375 -4.69829 -62.2782 15.2738 TIMING: 743800 CPU: 2216.25, 0.00301486/step Wall: 2216.25, 0.00301486/step, 3.56441 hours remaining, 206.632812 MB of memory in use. ENERGY: 743800 727.1483 2056.7341 1924.0016 115.8694 -206217.6109 18149.2510 0.0000 0.0000 34506.3475 -148738.2590 301.3525 -183244.6065 -148634.7140 300.8355 192.7013 221.5062 557365.8960 8.4596 8.4275 PRESSURE: 744000 -38.0915 -82.001 4.44129 -82 156.602 34.6335 4.4412 34.6332 69.6631 GPRESSURE: 744000 6.5148 -47.4731 -7.55679 -45.1724 176.618 93.41 121.443 -25.849 89.1317 PRESSAVG: 744000 -0.888243 -33.2961 14.517 -33.2961 -19.0692 -16.5754 14.517 -16.5754 27.8637 GPRESSAVG: 744000 -0.611397 -33.6445 13.8533 -33.2008 -18.2692 -18.0619 16.7516 -16.324 26.482 TIMING: 744000 CPU: 2216.85, 0.00298801/step Wall: 2216.85, 0.00298801/step, 3.53249 hours remaining, 206.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 744000 751.4169 2085.8079 1937.8781 114.6244 -205894.1466 17859.5732 0.0000 0.0000 34444.6495 -148700.1968 300.8137 -183144.8463 -148602.3777 300.9100 62.7245 90.7550 556887.6518 2.6354 2.5338 PRESSURE: 744200 121.22 -40.1296 -3.32814 -40.1302 226.433 -154.647 -3.32663 -154.646 -206.442 GPRESSURE: 744200 145.764 -11.8896 -71.5836 -84.3441 226.787 -68.5648 50.9278 -157.473 -123.69 PRESSAVG: 744200 -33.8342 -17.3701 -19.0147 -17.3701 35.8664 11.4274 -19.0146 11.4274 16.7922 GPRESSAVG: 744200 -34.9662 -16.7331 -18.6509 -17.036 36.3884 12.0579 -19.958 13.4196 17.7058 TIMING: 744200 CPU: 2217.44, 0.00297565/step Wall: 2217.44, 0.00297565/step, 3.51772 hours remaining, 206.632812 MB of memory in use. ENERGY: 744200 736.2816 2109.1235 1935.0283 118.1314 -205624.2129 17836.9261 0.0000 0.0000 34213.8172 -148674.9048 298.7978 -182888.7220 -148578.7707 301.0984 47.0701 82.9537 557883.6281 6.2748 6.3760 LDB: ============= START OF LOAD BALANCING ============== 2220.99 LDB: ============== END OF LOAD BALANCING =============== 2220.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2220.99 LDB: ============= START OF LOAD BALANCING ============== 2221.29 LDB: Largest compute 4796 load 0.028119 is 23.8% of average load 0.118183 LDB: Average compute 0.001719 is 1.5% of average load 0.118183 LDB: TIME 2221.29 LOAD: AVG 0.118183 MAX 0.206649 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.402 MB LDB: TIME 2221.29 LOAD: AVG 0.118183 MAX 0.206649 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.406 MB LDB: TIME 2221.29 LOAD: AVG 0.118183 MAX 0.206649 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.406 MB LDB: ============== END OF LOAD BALANCING =============== 2221.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2221.3 PRESSURE: 744400 -154.625 58.6854 -116.919 58.6853 -131.162 224.294 -116.92 224.294 -51.0436 GPRESSURE: 744400 -111.649 121.467 -109.839 64.7576 -117.596 238.179 -182.688 116.866 -20.4937 PRESSAVG: 744400 -18.4277 -39.2318 -50.1071 -39.2319 -19.3154 39.5452 -50.1071 39.5454 69.9502 GPRESSAVG: 744400 -17.2126 -39.3084 -48.3218 -41.1389 -19.162 40.0513 -52.5767 38.5839 68.3864 TIMING: 744400 CPU: 2218.05, 0.00303055/step Wall: 2218.05, 0.00303055/step, 3.58244 hours remaining, 207.203125 MB of memory in use. ENERGY: 744400 735.0664 2040.9926 1967.6473 111.6800 -205459.4330 17368.5763 0.0000 0.0000 34434.5610 -148800.9094 300.7256 -183235.4705 -148702.1940 300.1882 -112.2769 -83.2463 558639.8084 10.7357 10.6706 PRESSURE: 744600 -143.312 80.9551 -77.2909 80.9548 -229.988 -35.8813 -77.2901 -35.8806 -181.249 GPRESSURE: 744600 -158.144 71.4654 -74.687 76.2019 -93.5417 27.9042 -92.0282 -116.396 -196.197 PRESSAVG: 744600 -36.8299 -31.3953 -14.8944 -31.3953 33.0878 56.8549 -14.8944 56.8549 -12.384 GPRESSAVG: 744600 -37.6077 -32.8421 -18.0835 -27.275 32.9609 56.7452 -13.1349 56.625 -10.73 TIMING: 744600 CPU: 2218.65, 0.00300728/step Wall: 2218.65, 0.00300728/step, 3.55477 hours remaining, 207.406250 MB of memory in use. ENERGY: 744600 693.3988 2024.6154 1950.3871 108.9074 -205543.0574 17459.8234 0.0000 0.0000 34360.6324 -148945.2930 300.0799 -183305.9254 -148843.0554 300.2488 -184.8499 -149.2941 559042.4771 -5.3754 -5.1256 PRESSURE: 744800 62.8759 134.201 64.4695 134.2 -239.921 32.5099 64.4683 32.5107 -253.311 GPRESSURE: 744800 98.0172 41.7844 115.761 156.738 -189.649 -49.1686 55.6636 -30.4185 -238.618 PRESSAVG: 744800 18.0067 41.5098 55.5588 41.5098 33.8022 -39.0689 55.5588 -39.0689 -30.6247 GPRESSAVG: 744800 19.3747 42.4218 56.507 39.6445 34.0297 -39.9085 56.5225 -36.9924 -32.4931 TIMING: 744800 CPU: 2219.25, 0.00301592/step Wall: 2219.25, 0.00301592/step, 3.56482 hours remaining, 207.406250 MB of memory in use. ENERGY: 744800 715.8131 2114.0350 1951.3249 109.5967 -205615.7416 17656.0703 0.0000 0.0000 34224.7695 -148844.1320 298.8934 -183068.9016 -148759.4756 300.3754 -143.4521 -110.0834 560558.9179 7.0614 6.9704 PRESSURE: 745000 -85.3532 -43.6583 51.0322 -43.6581 40.354 18.72 51.0324 18.7215 -382.557 GPRESSURE: 745000 -53.1525 -34.3011 44.8527 -26.3064 63.9359 81.5079 7.2016 25.2322 -351.107 PRESSAVG: 745000 48.3493 48.1077 46.7559 48.1076 9.65703 5.85832 46.7558 5.85826 -59.36 GPRESSAVG: 745000 46.8186 48.1952 47.9103 47.063 9.96046 6.10171 46.2618 3.02113 -57.9567 TIMING: 745000 CPU: 2219.86, 0.00302663/step Wall: 2219.86, 0.00302663/step, 3.57731 hours remaining, 207.406250 MB of memory in use. ENERGY: 745000 762.2584 2013.1270 1911.7035 110.5421 -205844.0802 17889.8708 0.0000 0.0000 34262.3521 -148894.2262 299.2216 -183156.5783 -148800.4085 299.7713 -142.5187 -113.4413 561285.3078 -0.4512 -0.3925 PRESSURE: 745200 38.8507 29.209 7.42305 29.209 -80.1613 103.976 7.42199 103.976 -7.4195 GPRESSURE: 745200 47.762 26.6142 23.3791 51.8969 -78.37 104.137 44.399 54.3489 80.4206 PRESSAVG: 745200 -12.2678 7.88659 6.68345 7.88644 42.3831 39.1826 6.68348 39.1826 -36.8785 GPRESSAVG: 745200 -11.3748 7.41898 4.5321 9.91806 41.2741 38.6152 9.26596 41.2309 -37.111 TIMING: 745200 CPU: 2220.46, 0.00300753/step Wall: 2220.46, 0.00300753/step, 3.55457 hours remaining, 207.406250 MB of memory in use. ENERGY: 745200 713.0216 2019.2327 1928.1595 116.0232 -205981.7982 17877.3256 0.0000 0.0000 34294.6649 -149033.3707 299.5038 -183328.0357 -148936.0018 299.4404 -16.2434 16.6042 558834.2156 -2.2544 -2.4039 PRESSURE: 745400 181.629 -122.807 -109.767 -122.807 -290.557 89.6154 -109.767 89.6142 -10.8339 GPRESSURE: 745400 175.333 -149.146 -45.5119 -60.3751 -273.412 29.559 -44.4391 68.0589 67.9538 PRESSAVG: 745400 -36.1277 32.9079 46.1404 32.908 -28.9872 -17.2285 46.1405 -17.2286 68.4424 GPRESSAVG: 745400 -35.9929 34.6371 47.4716 31.383 -28.7064 -15.3866 43.1071 -20.3692 68.6014 TIMING: 745400 CPU: 2221.07, 0.00302267/step Wall: 2221.07, 0.00302267/step, 3.57229 hours remaining, 207.406250 MB of memory in use. ENERGY: 745400 736.7615 2030.4008 1943.5021 106.6781 -205855.4845 17737.8990 0.0000 0.0000 34436.5830 -148863.6600 300.7432 -183300.2430 -148760.6733 299.6755 -39.9206 -10.0416 558002.5413 1.1092 1.3007 PRESSURE: 745600 131.029 -19.7193 104.504 -19.7187 -151.898 33.6377 104.505 33.6365 -400.409 GPRESSURE: 745600 113.683 -45.7496 88.3183 32.2438 -114.557 13.6697 38.7112 -12.3341 -320.775 PRESSAVG: 745600 27.3162 19.2948 28.6601 19.2948 -65.2855 -11.4033 28.6602 -11.4034 -16.0325 GPRESSAVG: 745600 28.9163 16.4983 30.0131 20.2131 -65.9025 -11.4004 27.9444 -10.9126 -16.6586 TIMING: 745600 CPU: 2221.67, 0.00304297/step Wall: 2221.67, 0.00304297/step, 3.59611 hours remaining, 207.406250 MB of memory in use. ENERGY: 745600 746.2862 2069.4262 1944.5088 99.6033 -205321.5483 17432.2269 0.0000 0.0000 34142.1652 -148887.3317 298.1720 -183029.4970 -148798.4642 300.3840 -140.4260 -107.2166 557944.7987 -18.0006 -17.8816 PRESSURE: 745800 -124.212 -101.472 5.09814 -101.471 -31.9739 171.077 5.09668 171.076 -135.364 GPRESSURE: 745800 -94.9063 -95.1062 35.8334 -29.6793 -8.61947 147.595 30.1078 188.756 -97.6286 PRESSAVG: 745800 -9.42167 -27.7953 25.6263 -27.7952 -36.9961 1.59387 25.6263 1.59398 10.8311 GPRESSAVG: 745800 -9.30874 -26.834 23.3996 -27.2277 -36.9911 0.943295 28.128 3.6265 10.4384 TIMING: 745800 CPU: 2222.28, 0.00300809/step Wall: 2222.28, 0.00300809/step, 3.55473 hours remaining, 207.406250 MB of memory in use. ENERGY: 745800 738.1727 2109.5667 1951.9854 111.8160 -206018.3291 17660.6870 0.0000 0.0000 34352.7034 -149093.3979 300.0107 -183446.1013 -148993.4860 299.7207 -97.1836 -67.0515 557024.9460 -11.8622 -11.9538 PRESSURE: 746000 -12.6186 53.7879 191.327 53.7878 3.04594 -1.05181 191.328 -1.05286 -223.097 GPRESSURE: 746000 -4.17352 59.3225 206.132 49.5863 43.0896 -41.5129 244.474 16.5883 -174.208 PRESSAVG: 746000 38.883 -7.74397 31.4578 -7.74395 -6.49093 -7.2174 31.4578 -7.21743 19.0137 GPRESSAVG: 746000 39.0172 -8.62051 31.1998 -8.14619 -7.50557 -5.53357 31.0522 -8.99968 20.2308 TIMING: 746000 CPU: 2222.88, 0.00301217/step Wall: 2222.88, 0.00301217/step, 3.55938 hours remaining, 207.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 746000 710.7216 2117.2847 1951.5193 121.0077 -205799.5504 17623.0682 0.0000 0.0000 34394.4353 -148881.5136 300.3752 -183275.9489 -148786.9020 299.4093 -77.5565 -45.0972 557123.6184 17.1353 17.2475 PRESSURE: 746200 -304.102 40.0249 18.6995 40.0254 235.448 151.589 18.6987 151.588 -124.311 GPRESSURE: 746200 -277.676 53.5786 -17.8302 83.0284 272.724 76.4879 7.71212 133.697 -95.7768 PRESSAVG: 746200 -49.315 -7.20885 111.276 -7.20874 56.4749 -8.5133 111.276 -8.5133 7.13707 GPRESSAVG: 746200 -49.519 -6.88015 112.682 -8.36007 57.4269 -10.6684 108.812 -6.72452 6.784 TIMING: 746200 CPU: 2223.48, 0.00301915/step Wall: 2223.48, 0.00301915/step, 3.56746 hours remaining, 207.406250 MB of memory in use. ENERGY: 746200 737.2084 2089.9649 1950.2035 110.0844 -205690.7624 17775.8352 0.0000 0.0000 34206.0728 -148821.3932 298.7301 -183027.4660 -148726.5138 300.8985 -64.3214 -33.5762 559162.8181 4.7657 4.8973 PRESSURE: 746400 -252.563 102.493 9.49878 102.492 75.8261 -57.3443 9.49877 -57.347 -130.194 GPRESSURE: 746400 -206.654 22.0119 11.4669 99.805 121.822 -147.907 78.3737 -73.1595 -129.192 PRESSAVG: 746400 -41.4346 9.40889 -13.0837 9.40888 6.35832 19.9929 -13.0836 19.9929 36.3638 GPRESSAVG: 746400 -40.6767 9.24428 -13.9233 9.60034 4.58156 20.3728 -10.0253 17.6989 37.7588 TIMING: 746400 CPU: 2224.08, 0.00300962/step Wall: 2224.08, 0.00300962/step, 3.55604 hours remaining, 207.406250 MB of memory in use. ENERGY: 746400 712.5239 2057.3171 1920.7983 117.3694 -205311.2502 17513.4449 0.0000 0.0000 34278.3079 -148711.4886 299.3610 -182989.7965 -148615.5713 300.2726 -102.3103 -71.3412 558771.1980 0.4292 0.5545 PRESSURE: 746600 -502.352 -51.8881 27.6748 -51.888 -264.951 -82.8629 27.6753 -82.8634 -246.771 GPRESSURE: 746600 -445.349 -90.1476 14.9089 -87.7272 -257.765 -82.5729 65.3362 -76.9347 -213.8 PRESSAVG: 746600 -3.07183 30.8352 -16.8511 30.8352 23.2415 -45.7561 -16.851 -45.756 -47.3873 GPRESSAVG: 746600 -2.33569 33.0694 -16.0467 30.4509 24.4457 -46.4504 -19.0803 -44.9824 -48.9523 TIMING: 746600 CPU: 2224.69, 0.00303383/step Wall: 2224.69, 0.00303383/step, 3.58447 hours remaining, 207.406250 MB of memory in use. ENERGY: 746600 745.6302 2119.3156 1958.8312 123.1247 -205495.2212 17377.3777 0.0000 0.0000 34271.5680 -148899.3738 299.3021 -183170.9418 -148801.4635 300.0602 -338.0247 -305.6384 559189.2654 -9.0725 -8.9474 PRESSURE: 746800 88.2386 28.6963 -18.4058 28.695 -102.22 76.587 -18.4053 76.5857 100.138 GPRESSURE: 746800 115.946 36.3308 87.9616 45.6077 -45.8245 51.7163 -103.635 33.1221 104.746 PRESSAVG: 746800 -47.4695 -7.12104 -33.8379 -7.12118 5.92331 -42.5986 -33.8379 -42.5987 54.1471 GPRESSAVG: 746800 -48.8057 -9.81458 -33.521 -6.26684 6.0111 -41.6929 -32.3828 -42.1765 55.4637 TIMING: 746800 CPU: 2225.29, 0.00299575/step Wall: 2225.29, 0.00299575/step, 3.53931 hours remaining, 207.406250 MB of memory in use. ENERGY: 746800 723.3526 2122.0627 1923.5085 107.0704 -206034.4911 17658.9763 0.0000 0.0000 34371.1268 -149128.3937 300.1716 -183499.5205 -149031.2758 299.9149 28.7189 58.2894 556323.1844 4.2003 4.2230 PRESSURE: 747000 -69.158 31.8014 -55.869 31.7999 -158.595 -25.8789 -55.868 -25.88 -47.3306 GPRESSURE: 747000 -58.7736 17.0809 -64.7937 46.6594 -120.661 -48.2904 -18.3903 49.8871 -2.50802 PRESSAVG: 747000 -54.6207 18.4102 0.360286 18.4102 -23.5893 18.9837 0.360321 18.9837 56.9471 GPRESSAVG: 747000 -53.7382 18.5506 -0.964406 18.455 -23.9794 21.6867 1.75107 17.5862 56.3606 TIMING: 747000 CPU: 2225.89, 0.003/step Wall: 2225.89, 0.003/step, 3.54416 hours remaining, 207.406250 MB of memory in use. ENERGY: 747000 747.7299 2118.8352 1942.8128 121.9340 -206203.0981 17626.1283 0.0000 0.0000 34322.6363 -149323.0216 299.7481 -183645.6579 -149229.1919 299.2409 -91.6945 -60.6476 557450.0192 -7.0876 -7.1190 PRESSURE: 747200 26.7053 72.1253 50.1059 72.1251 -193.589 -41.6508 50.107 -41.6503 153.902 GPRESSURE: 747200 84.3071 81.1318 121.223 124.2 -152.143 -117.427 -64.1017 -11.4049 149.99 PRESSAVG: 747200 -23.3153 -0.146883 13.2372 -0.146867 42.6485 -25.0706 13.2372 -25.0706 38.37 GPRESSAVG: 747200 -23.8423 -0.724378 14.0367 -0.262995 44.726 -27.3489 13.082 -22.9903 37.6408 TIMING: 747200 CPU: 2226.49, 0.00300244/step Wall: 2226.49, 0.00300244/step, 3.54689 hours remaining, 207.406250 MB of memory in use. ENERGY: 747200 710.1344 2087.7603 1937.5032 125.8890 -206418.2893 17826.7664 0.0000 0.0000 34345.7474 -149384.4885 299.9500 -183730.2359 -149288.1519 298.6088 -4.3275 27.3844 557392.9239 19.2344 19.5082 PRESSURE: 747400 -103.75 52.707 199.533 52.7065 -224.631 79.9098 199.533 79.9103 -178.934 GPRESSURE: 747400 -138.941 22.8898 290.041 99.2614 -149.032 72.0338 177.426 38.9777 -118.781 PRESSAVG: 747400 3.24965 32.9289 26.1856 32.9291 -62.1884 -4.46324 26.1856 -4.4632 50.2118 GPRESSAVG: 747400 3.55961 32.8619 25.972 33.8404 -63.4374 -4.5929 27.4236 -4.83836 50.8008 TIMING: 747400 CPU: 2227.1, 0.00302362/step Wall: 2227.1, 0.00302362/step, 3.57174 hours remaining, 207.406250 MB of memory in use. ENERGY: 747400 746.0154 2077.6190 1915.2973 125.1334 -205709.0697 17429.5337 0.0000 0.0000 34200.0683 -149215.4026 298.6777 -183415.4709 -149119.8029 299.1659 -169.1053 -135.5848 556736.2145 -2.9090 -3.0256 PRESSURE: 747600 -32.2723 -86.1748 190.657 -86.1756 -186.953 -184.273 190.658 -184.272 -264.638 GPRESSURE: 747600 3.13498 -59.3936 162.592 -160.635 -188.49 -164.085 206.284 -212.061 -192.611 PRESSAVG: 747600 3.29152 -40.2568 11.7071 -40.2568 87.1731 -21.3631 11.707 -21.3633 -30.3616 GPRESSAVG: 747600 3.37146 -39.4914 13.7971 -41.7007 86.6058 -23.0091 9.51466 -19.3969 -30.1218 TIMING: 747600 CPU: 2227.7, 0.00302124/step Wall: 2227.7, 0.00302124/step, 3.56875 hours remaining, 207.406250 MB of memory in use. ENERGY: 747600 752.6545 2102.7586 1966.4144 117.9026 -206065.2024 17591.8512 0.0000 0.0000 34496.0788 -149037.5422 301.2628 -183533.6210 -148944.5671 300.5332 -161.2879 -125.9885 556575.5022 20.0343 19.9518 PRESSURE: 747800 64.6405 -19.5818 62.7185 -19.5821 68.2411 -115.083 62.7191 -115.082 -264.698 GPRESSURE: 747800 81.2289 77.6437 112.882 -88.6578 68.8092 -113.538 -11.6723 -166.971 -184.652 PRESSAVG: 747800 1.9578 -1.73202 -44.4152 -1.73188 28.8094 -18.8243 -44.4152 -18.8244 -17.7811 GPRESSAVG: 747800 1.38723 -1.44556 -44.3186 -2.56775 29.5183 -18.9456 -43.223 -19.5333 -17.6917 TIMING: 747800 CPU: 2228.31, 0.00304479/step Wall: 2228.31, 0.00304479/step, 3.59641 hours remaining, 207.406250 MB of memory in use. ENERGY: 747800 762.9441 2093.3847 1957.7495 103.5893 -206121.0569 17686.4735 0.0000 0.0000 34377.3675 -149139.5483 300.2261 -183516.9158 -149045.7335 300.1506 -43.9386 -11.5381 556330.0569 4.3287 4.4046 PRESSURE: 748000 300.018 -160.909 95.3402 -160.91 89.5014 -141.475 95.3394 -141.475 19.5922 GPRESSURE: 748000 316.293 -143.37 120.143 -160.375 134.248 -98.9015 12.4102 -185.59 66.8888 PRESSAVG: 748000 33.6053 13.1183 -5.76027 13.1182 -11.1528 -13.0177 -5.76021 -13.0177 -16.1258 GPRESSAVG: 748000 33.8969 12.0265 -6.86671 13.3571 -10.6263 -9.99843 -6.39734 -15.1597 -16.4994 TIMING: 748000 CPU: 2228.91, 0.00302117/step Wall: 2228.91, 0.00302117/step, 3.56834 hours remaining, 207.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 748000 753.4051 2087.9152 1956.8957 114.0339 -206100.5304 17981.3824 0.0000 0.0000 34299.3536 -148907.5444 299.5448 -183206.8981 -148808.2382 299.5275 136.3706 172.4765 556950.9497 2.1089 2.2571 PRESSURE: 748200 -54.3317 27.2345 -7.8091 27.2343 -62.215 112.008 -7.81031 112.007 -93.6583 GPRESSURE: 748200 -45.6573 5.98503 -2.56799 -38.2999 -28.2399 121.368 -58.0812 85.4208 -36.6637 PRESSAVG: 748200 21.7905 -49.0265 36.1144 -49.0265 12.4665 13.599 36.1145 13.5991 -32.7951 GPRESSAVG: 748200 21.9727 -48.119 37.6087 -47.4206 11.6482 14.5173 33.6095 14.7109 -32.2635 TIMING: 748200 CPU: 2229.51, 0.0029785/step Wall: 2229.51, 0.0029785/step, 3.51777 hours remaining, 207.406250 MB of memory in use. ENERGY: 748200 768.7162 2095.9733 1951.6350 129.3876 -205529.3978 17556.9796 0.0000 0.0000 34179.7866 -148846.9195 298.5006 -183026.7061 -148750.8686 299.6810 -70.0683 -36.8536 558065.2233 0.4873 0.4524 LDB: ============= START OF LOAD BALANCING ============== 2233.06 LDB: ============== END OF LOAD BALANCING =============== 2233.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2233.06 LDB: ============= START OF LOAD BALANCING ============== 2233.36 LDB: Largest compute 4796 load 0.029812 is 25.2% of average load 0.118107 LDB: Average compute 0.001728 is 1.5% of average load 0.118107 LDB: TIME 2233.37 LOAD: AVG 0.118107 MAX 0.208541 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.145 MB LDB: TIME 2233.37 LOAD: AVG 0.118107 MAX 0.208541 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.145 MB LDB: TIME 2233.37 LOAD: AVG 0.118107 MAX 0.208541 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.145 MB LDB: ============== END OF LOAD BALANCING =============== 2233.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2233.37 PRESSURE: 748400 69.8292 -156.788 60.3172 -156.788 14.6909 156.575 60.3171 156.574 154.211 GPRESSURE: 748400 166.041 -127.29 53.459 -230.636 28.1694 57.2346 74.3344 181.434 149.29 PRESSAVG: 748400 54.9996 14.3341 -3.82707 14.3341 25.9593 1.21488 -3.82704 1.21494 -38.6851 GPRESSAVG: 748400 55.8266 14.463 -5.8259 13.8959 25.5519 -1.65289 -1.13659 1.43328 -39.5495 TIMING: 748400 CPU: 2230.12, 0.00307085/step Wall: 2230.12, 0.00307085/step, 3.62667 hours remaining, 207.144531 MB of memory in use. ENERGY: 748400 747.6539 2068.4899 1948.6718 115.8011 -206197.6497 17959.5818 0.0000 0.0000 34277.2521 -149080.1990 299.3518 -183357.4511 -148989.3879 300.2485 79.5769 114.5002 554947.0058 14.0913 13.9430 PRESSURE: 748600 38.3163 157.163 53.0328 157.162 41.1514 109.123 53.0326 109.123 349.376 GPRESSURE: 748600 32.5469 186.359 -10.7091 92.551 108.729 145.165 107.243 41.2311 388.896 PRESSAVG: 748600 84.1163 19.3825 25.7007 19.3825 -60.9411 56.3098 25.7007 56.3097 -31.0927 GPRESSAVG: 748600 83.6354 20.4733 23.3553 18.0353 -60.1567 53.9466 26.3052 57.6947 -31.4349 TIMING: 748600 CPU: 2230.72, 0.00297778/step Wall: 2230.72, 0.00297778/step, 3.51659 hours remaining, 207.144531 MB of memory in use. ENERGY: 748600 727.8846 2098.8642 1939.3818 109.8839 -206191.9144 17973.3381 0.0000 0.0000 34438.8371 -148903.7247 300.7629 -183342.5619 -148812.0461 300.4934 142.9480 176.7239 556052.7455 -2.6392 -2.6521 PRESSURE: 748800 -8.551 19.7445 -118.412 19.745 222.065 36.1007 -118.412 36.1014 214.003 GPRESSURE: 748800 15.8756 107.263 -75.4229 29.0453 247.895 36.5717 -125.258 26.8334 249.914 PRESSAVG: 748800 19.4928 3.92135 36.4446 3.9214 24.8154 42.9208 36.4446 42.9209 -22.3302 GPRESSAVG: 748800 20.1916 3.04767 40.6378 4.77252 24.1393 46.0783 35.6191 39.6439 -22.1024 TIMING: 748800 CPU: 2231.31, 0.00296868/step Wall: 2231.31, 0.00296868/step, 3.50569 hours remaining, 207.144531 MB of memory in use. ENERGY: 748800 681.8966 2080.2530 1987.4051 114.6224 -205895.0795 17671.4350 0.0000 0.0000 34464.3445 -148895.1229 300.9857 -183359.4674 -148807.9978 301.0431 142.5056 171.2282 555829.7622 7.3260 7.4095 PRESSURE: 749000 -273.538 217.049 -99.1044 217.048 138.68 6.82244 -99.104 6.82281 52.4413 GPRESSURE: 749000 -244.277 261.905 -123.577 216.156 146.579 -131.107 -68.8823 29.7074 109.266 PRESSAVG: 749000 5.22546 -0.531806 -18.5524 -0.531781 -3.40566 -9.17232 -18.5525 -9.17231 -47.7796 GPRESSAVG: 749000 4.60119 0.233881 -19.3838 -1.90814 -3.28122 -10.1937 -17.9476 -6.33208 -47.3756 TIMING: 749000 CPU: 2231.91, 0.00297409/step Wall: 2231.91, 0.00297409/step, 3.51191 hours remaining, 207.144531 MB of memory in use. ENERGY: 749000 750.8925 2079.2221 1974.6407 115.5728 -206198.2293 17892.9771 0.0000 0.0000 34430.6144 -148954.3098 300.6911 -183384.9242 -148857.6710 300.2243 -27.4722 3.8559 557542.1102 -15.3199 -15.3519 PRESSURE: 749200 15.5142 -83.2028 74.3141 -83.203 -137.523 163.991 74.3121 163.99 242.131 GPRESSURE: 749200 14.9098 -61.9057 19.226 -106.796 -96.5962 104.077 66.8127 90.5698 294.997 PRESSAVG: 749200 -41.3468 -30.2515 20.1054 -30.2515 17.7289 15.5323 20.1054 15.5324 23.2357 GPRESSAVG: 749200 -41.894 -30.1031 18.4706 -30.9371 18.7314 15.4922 20.6797 14.01 22.8421 TIMING: 749200 CPU: 2232.5, 0.00295688/step Wall: 2232.5, 0.00295688/step, 3.49141 hours remaining, 207.144531 MB of memory in use. ENERGY: 749200 758.7465 2044.1533 1936.3733 104.2608 -205988.3187 17882.7637 0.0000 0.0000 34416.4626 -148845.5585 300.5675 -183262.0211 -148749.5276 299.8589 40.0409 71.1037 557189.4954 -0.1274 -0.1069 PRESSURE: 749400 -119.17 171.349 -134.997 171.349 -168.675 -52.5402 -134.998 -52.539 -186.811 GPRESSURE: 749400 -85.4579 219.075 -180.913 180.365 -165.045 -65.2809 -47.8536 -71.1715 -132.41 PRESSAVG: 749400 -33.1614 -27.3378 4.85001 -27.3379 -27.4919 20.1756 4.84998 20.1756 48.7267 GPRESSAVG: 749400 -32.9548 -26.5171 4.00132 -24.9685 -28.274 20.2066 5.58696 19.4287 49.1828 TIMING: 749400 CPU: 2233.1, 0.00299444/step Wall: 2233.1, 0.00299444/step, 3.53561 hours remaining, 207.144531 MB of memory in use. ENERGY: 749400 739.7530 2081.2435 1937.6596 118.7009 -205960.0870 17672.1308 0.0000 0.0000 34475.8591 -148934.7402 301.0863 -183410.5993 -148839.7834 299.7739 -158.2185 -127.6377 559643.1048 -3.9755 -4.0153 PRESSURE: 749600 -269.99 62.8008 69.5864 62.8001 116.201 -80.9364 69.5854 -80.9362 -28.8325 GPRESSURE: 749600 -272.204 36.3922 94.234 68.6279 165.255 -125.63 167.393 -21.813 1.11678 PRESSAVG: 749600 -67.9165 -6.00017 -47.8396 -6.00016 23.4904 23.9247 -47.8396 23.9246 62.8778 GPRESSAVG: 749600 -67.6869 -8.71639 -44.7637 -6.25596 23.3028 24.0718 -51.8246 24.9226 62.8828 TIMING: 749600 CPU: 2233.69, 0.00298741/step Wall: 2233.69, 0.00298741/step, 3.52714 hours remaining, 207.144531 MB of memory in use. ENERGY: 749600 753.5985 2080.0524 1948.5942 116.0080 -205812.0446 17599.2229 0.0000 0.0000 34458.6096 -148855.9590 300.9356 -183314.5685 -148759.0202 300.8158 -60.8739 -35.2774 557748.9688 6.1506 6.1662 PRESSURE: 749800 -203.49 -123.308 69.4919 -123.308 -26.5456 137.336 69.4909 137.335 -52.1313 GPRESSURE: 749800 -162.318 -125.337 58.8441 -203.823 -8.62351 61.805 -28.4274 186.654 -14.7239 PRESSAVG: 749800 -56.4427 23.9546 -26.0238 23.9545 -22.2673 19.0096 -26.0238 19.0096 33.3325 GPRESSAVG: 749800 -55.8268 27.9546 -28.0781 21.6416 -23.0533 19.799 -26.1297 20.1055 33.2237 TIMING: 749800 CPU: 2234.3, 0.00300519/step Wall: 2234.3, 0.00300519/step, 3.54796 hours remaining, 207.144531 MB of memory in use. ENERGY: 749800 743.2284 2103.2971 1953.4089 135.6526 -205649.3343 17568.1747 0.0000 0.0000 34365.2865 -148780.2861 300.1206 -183145.5726 -148682.5360 300.7885 -94.0558 -61.8886 558771.4747 -15.1258 -15.2188 PRESSURE: 750000 -166.603 32.0011 -19.4722 32.0012 -236.479 -76.9023 -19.4738 -76.9001 1.90793 GPRESSURE: 750000 -149.211 69.1239 -51.4065 11.116 -210.287 -16.6426 89.0571 -86.6329 53.0466 PRESSAVG: 750000 -16.4712 16.1007 -3.46081 16.1007 14.9517 47.3381 -3.46083 47.338 32.7476 GPRESSAVG: 750000 -16.2387 14.5506 -2.19959 18.6021 16.2696 45.8007 -1.5585 46.1575 31.2524 TIMING: 750000 CPU: 2234.9, 0.00299909/step Wall: 2234.9, 0.00299909/step, 3.54059 hours remaining, 207.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 750000 784.4322 2103.3018 1958.0011 115.0681 -205799.6860 17538.3808 0.0000 0.0000 34470.7729 -148829.7291 301.0418 -183300.5020 -148734.1403 300.7372 -133.7247 -102.1506 556257.5357 10.4094 10.4278 PRESSURE: 750200 -15.1545 57.7029 4.901 57.7027 -50.1696 -102.126 4.90235 -102.126 -134.879 GPRESSURE: 750200 11.0251 8.78273 -23.5079 70.0141 -23.297 -118.456 -39.2244 -102.968 -89.2247 PRESSAVG: 750200 -9.86196 45.2736 -18.4228 45.2737 13.5002 -4.70327 -18.4227 -4.70326 -14.6977 GPRESSAVG: 750200 -9.71925 42.2707 -17.7436 46.345 13.2742 -3.50779 -20.0609 -4.86258 -14.5816 TIMING: 750200 CPU: 2235.5, 0.0030194/step Wall: 2235.5, 0.0030194/step, 3.5644 hours remaining, 207.144531 MB of memory in use. ENERGY: 750200 757.9532 2084.0783 1956.2451 121.7095 -205395.5130 17408.0170 0.0000 0.0000 34488.8429 -148578.6670 301.1996 -183067.5099 -148480.0737 301.0095 -66.7345 -33.8322 557180.1153 -3.6865 -3.6755 PRESSURE: 750400 -103.973 209.312 101.883 209.312 -52.5032 -81.2728 101.882 -81.2735 -315.583 GPRESSURE: 750400 -98.7742 152.821 44.2401 223.141 -54.7088 -73.7504 106.975 -99.3487 -223.218 PRESSAVG: 750400 -3.94037 8.98114 -59.954 8.98119 -3.64018 21.1334 -59.9539 21.1334 25.7853 GPRESSAVG: 750400 -4.70036 14.2303 -57.6922 7.11914 -4.10372 21.6074 -60.8849 19.4323 26.8539 TIMING: 750400 CPU: 2236.1, 0.00300085/step Wall: 2236.1, 0.00300085/step, 3.54234 hours remaining, 207.144531 MB of memory in use. ENERGY: 750400 731.8348 2066.1577 1926.5041 112.6406 -205562.6309 17589.4046 0.0000 0.0000 34469.9015 -148666.1875 301.0342 -183136.0890 -148569.3382 301.3949 -157.3532 -125.5668 557750.3312 6.0683 6.0166 PRESSURE: 750600 -7.79359 -83.3962 -43.4304 -83.3969 -307.906 248.286 -43.4312 248.287 -30.4757 GPRESSURE: 750600 21.6958 25.8364 -31.0857 -63.6161 -238.765 281.227 -93.9902 256.485 -37.9363 PRESSAVG: 750600 53.4002 12.0704 8.03474 12.0704 -10.083 47.6624 8.03479 47.6624 -41.9888 GPRESSAVG: 750600 53.6601 12.0035 5.98436 13.6144 -9.52057 47.6337 9.80873 50.8806 -42.9304 TIMING: 750600 CPU: 2236.7, 0.0030043/step Wall: 2236.7, 0.0030043/step, 3.54624 hours remaining, 207.144531 MB of memory in use. ENERGY: 750600 763.4046 2066.9246 1939.5572 108.3479 -205861.9223 17707.9443 0.0000 0.0000 34452.8089 -148822.9347 300.8849 -183275.7436 -148725.2311 300.9089 -115.3919 -85.0020 556971.5351 0.4428 0.4031 PRESSURE: 750800 -220.844 159.248 101.799 159.249 -132.734 -53.5713 101.799 -53.5728 -127.774 GPRESSURE: 750800 -215.635 149.849 -6.12665 132.808 -116.794 -115.15 159.876 -15.5207 -46.5521 PRESSAVG: 750800 16.6767 30.531 -50.0164 30.5311 13.0101 7.71652 -50.0164 7.71658 9.43212 GPRESSAVG: 750800 16.6398 28.2111 -50.4087 29.5742 13.1155 7.24858 -50.0604 7.28437 9.57967 TIMING: 750800 CPU: 2237.29, 0.00295647/step Wall: 2237.29, 0.00295647/step, 3.48962 hours remaining, 207.144531 MB of memory in use. ENERGY: 750800 733.2667 2112.2641 1947.7161 120.7471 -205245.3645 17248.5061 0.0000 0.0000 34303.6077 -148779.2567 299.5819 -183082.8645 -148677.7496 300.6817 -160.4507 -126.3271 556954.4543 13.0397 13.1117 PRESSURE: 751000 134.714 4.43927 -26.8406 4.43931 -104.713 131.125 -26.8403 131.125 102.022 GPRESSURE: 751000 188.375 -11.9574 3.70798 -25.8756 -80.6579 106.535 -25.2037 194.996 126.234 PRESSAVG: 751000 49.6685 37.9811 -21.1801 37.9811 -46.6168 41.7669 -21.1802 41.7671 9.42578 GPRESSAVG: 751000 50.8063 39.5211 -21.7939 38.1357 -47.0504 42.7267 -21.2231 41.732 9.14457 TIMING: 751000 CPU: 2237.89, 0.00298994/step Wall: 2237.89, 0.00298994/step, 3.52896 hours remaining, 207.144531 MB of memory in use. ENERGY: 751000 772.2937 2117.0238 1923.1840 112.3760 -206234.3564 17966.5252 0.0000 0.0000 34428.3171 -148914.6366 300.6711 -183342.9538 -148820.9506 299.6585 44.0078 77.9838 557089.6647 4.1592 4.3002 PRESSURE: 751200 48.2022 -48.3122 -46.0808 -48.3137 97.4804 29.4477 -46.0795 29.4493 -294.992 GPRESSURE: 751200 66.8187 -9.98456 -23.7064 -87.0768 138.992 0.0886324 -19.9466 58.21 -263.216 PRESSAVG: 751200 17.6832 12.2948 2.94046 12.2949 22.3385 1.3149 2.94042 1.31486 0.774163 GPRESSAVG: 751200 17.4945 11.7901 3.99819 12.8685 21.5528 -0.583633 2.55441 2.84529 2.28057 TIMING: 751200 CPU: 2238.48, 0.00297303/step Wall: 2238.48, 0.00297303/step, 3.50883 hours remaining, 207.144531 MB of memory in use. ENERGY: 751200 791.6443 2066.1805 1934.1231 105.5116 -205867.3148 17819.2397 0.0000 0.0000 34265.3321 -148885.2835 299.2477 -183150.6156 -148792.4582 300.4993 -49.7697 -19.1352 557256.4816 13.5986 13.7760 PRESSURE: 751400 42.4861 197.148 7.34425 197.148 10.8789 21.6434 7.34514 21.6431 -295.324 GPRESSURE: 751400 123.963 235.392 17.7278 282.566 7.4546 95.0307 11.9619 -4.07528 -273.208 PRESSAVG: 751400 27.7731 26.5853 52.2829 26.5853 -6.18883 -0.64411 52.2829 -0.644093 5.81754 GPRESSAVG: 751400 28.3842 25.283 51.8792 27.373 -5.99694 0.425886 53.1766 -1.79623 4.97938 TIMING: 751400 CPU: 2239.08, 0.00296615/step Wall: 2239.08, 0.00296615/step, 3.50055 hours remaining, 207.144531 MB of memory in use. ENERGY: 751400 724.7746 2141.8613 1952.6226 112.6575 -206173.8592 17860.1335 0.0000 0.0000 34476.2005 -148905.6092 301.0892 -183381.8097 -148803.9734 300.1653 -80.6531 -47.2634 557969.8740 9.1339 9.1222 PRESSURE: 751600 53.6647 -239.737 48.779 -239.736 91.76 -147.973 48.7786 -147.973 6.16371 GPRESSURE: 751600 152.316 -236.217 92.4177 -176.927 114.124 -71.8932 -38.5458 -220.758 -26.0305 PRESSAVG: 751600 9.53841 33.0989 -11.7338 33.0989 41.651 -23.0661 -11.7338 -23.0662 -9.41566 GPRESSAVG: 751600 9.6165 33.7954 -14.3662 31.2946 42.4226 -23.1689 -11.1634 -22.2872 -10.4724 TIMING: 751600 CPU: 2239.67, 0.00294646/step Wall: 2239.67, 0.00294646/step, 3.47715 hours remaining, 207.144531 MB of memory in use. ENERGY: 751600 747.1888 2108.7914 1933.1425 119.4909 -206384.9234 17880.5158 0.0000 0.0000 34797.1173 -148798.6768 303.8919 -183595.7940 -148703.0585 301.1431 50.5295 80.1365 557131.9032 13.9246 13.8556 PRESSURE: 751800 -92.3835 156.355 -36.2833 156.355 -182.496 -73.6392 -36.2824 -73.6392 24.3029 GPRESSURE: 751800 -83.1441 150.788 25.1939 167.12 -152.227 -24.1442 -111.097 -92.1082 81.0823 PRESSAVG: 751800 -27.9869 4.88517 41.6373 4.88509 4.51349 -58.0646 41.6373 -58.0647 61.9651 GPRESSAVG: 751800 -28.5418 5.09912 43.3166 6.81033 4.54902 -56.477 40.7138 -60.8079 63.2248 TIMING: 751800 CPU: 2240.26, 0.00295683/step Wall: 2240.26, 0.00295683/step, 3.48922 hours remaining, 207.144531 MB of memory in use. ENERGY: 751800 743.3980 2175.2497 1942.6790 121.7425 -205724.0969 17654.0503 0.0000 0.0000 34415.8292 -148671.1483 300.5620 -183086.9775 -148582.2068 300.9772 -83.5255 -51.4295 557439.1485 12.8306 13.0773 PRESSURE: 752000 -34.6093 -70.4365 -150.946 -70.4353 -294.42 -18.5981 -150.946 -18.5986 -49.82 GPRESSURE: 752000 -20.9855 6.14789 -204.659 -40.3021 -275.958 52.5252 -129.993 -82.7797 9.95719 PRESSAVG: 752000 28.0264 -42.2491 -40.0843 -42.2491 -33.6569 9.85234 -40.0843 9.85227 33.2278 GPRESSAVG: 752000 27.6684 -41.5883 -40.6712 -42.2328 -32.9892 9.78488 -38.2272 10.7359 32.9352 TIMING: 752000 CPU: 2240.85, 0.00295753/step Wall: 2240.85, 0.00295753/step, 3.48989 hours remaining, 207.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 752000 751.1959 2128.2661 1968.8975 118.5201 -205607.0064 17515.2290 0.0000 0.0000 34515.2506 -148609.6473 301.4303 -183124.8979 -148513.9867 301.8950 -126.2830 -95.6620 557410.7648 9.1991 9.2048 PRESSURE: 752200 -52.6305 -112.207 9.65074 -112.206 -159.508 -45.5053 9.65193 -45.5067 -58.4317 GPRESSURE: 752200 57.6335 -137.373 -2.89503 -112.056 -174.761 -9.68196 18.9341 -49.7656 -55.0559 PRESSAVG: 752200 11.1796 16.7486 -16.1343 16.7486 -71.5031 -31.6493 -16.1344 -31.6493 69.0851 GPRESSAVG: 752200 11.5951 16.5741 -15.7082 17.5325 -73.5479 -30.8095 -16.7703 -31.4425 70.3701 TIMING: 752200 CPU: 2241.44, 0.00293951/step Wall: 2241.44, 0.00293951/step, 3.46846 hours remaining, 207.144531 MB of memory in use. ENERGY: 752200 727.5666 2091.4537 1953.8459 116.2134 -205384.1242 17543.8752 0.0000 0.0000 34345.5186 -148605.6507 299.9480 -182951.1694 -148504.4744 301.2108 -90.1899 -57.3944 557897.9917 2.9205 2.8058 LDB: ============= START OF LOAD BALANCING ============== 2244.98 LDB: ============== END OF LOAD BALANCING =============== 2244.98 LDB: =============== DONE WITH MIGRATION ================ 2244.99 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 2245.28 LDB: Largest compute 4796 load 0.029517 is 25.0% of average load 0.118121 LDB: Average compute 0.001728 is 1.5% of average load 0.118121 LDB: TIME 2245.29 LOAD: AVG 0.118121 MAX 0.210153 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.914 MB LDB: TIME 2245.29 LOAD: AVG 0.118121 MAX 0.210153 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.914 MB LDB: TIME 2245.29 LOAD: AVG 0.118121 MAX 0.210153 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.914 MB LDB: ============== END OF LOAD BALANCING =============== 2245.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2245.29 PRESSURE: 752400 -300.054 -77.5993 -24.4807 -77.5986 8.06264 -8.25395 -24.4788 -8.25472 -217.078 GPRESSURE: 752400 -279.698 -80.9299 -29.9542 -93.421 -3.16208 36.0792 -15.0186 -75.0491 -128.124 PRESSAVG: 752400 -21.3924 17.6491 45.5443 17.6492 -18.8417 -18.2293 45.5442 -18.2293 46.7766 GPRESSAVG: 752400 -21.6298 16.7585 44.1602 16.5481 -18.4355 -18.4903 44.8832 -19.1744 46.3062 TIMING: 752400 CPU: 2242.04, 0.00302656/step Wall: 2242.04, 0.00302656/step, 3.571 hours remaining, 207.656250 MB of memory in use. ENERGY: 752400 756.9901 2088.6263 1928.8627 123.3745 -205231.7074 17396.3060 0.0000 0.0000 34335.9154 -148601.6324 299.8641 -182937.5479 -148499.5572 301.1877 -169.6897 -136.9945 557435.6279 2.1808 2.0803 PRESSURE: 752600 -12.8832 -87.3984 46.0999 -87.397 -85.5789 51.9689 46.1002 51.9677 -287.198 GPRESSURE: 752600 59.4671 -201.146 31.3927 6.75091 -58.1638 -23.9558 75.3776 -34.8941 -281.61 PRESSAVG: 752600 84.5828 -20.4458 -4.58523 -20.4457 -9.24453 -30.0434 -4.58523 -30.0434 -17.8156 GPRESSAVG: 752600 85.2753 -18.297 -2.93477 -20.1854 -9.29265 -31.4794 -5.88047 -28.3389 -17.7479 TIMING: 752600 CPU: 2242.64, 0.00297231/step Wall: 2242.64, 0.00297231/step, 3.50683 hours remaining, 207.859375 MB of memory in use. ENERGY: 752600 774.8128 2035.2157 1935.7416 117.8893 -205361.2079 17482.5008 0.0000 0.0000 34510.1954 -148504.8521 301.3861 -183015.0475 -148418.8168 300.5508 -128.5535 -93.4355 558185.3924 19.1742 19.4116 PRESSURE: 752800 -279.038 104.887 -5.18605 104.887 -125.494 -37.43 -5.18524 -37.43 -219.657 GPRESSURE: 752800 -212.893 57.763 10.3469 99.2222 -142.23 -104.598 -76.3429 32.786 -188.389 PRESSAVG: 752800 22.2814 21.8177 56.3497 21.8177 17.8363 -19.2018 56.3497 -19.2017 -47.2999 GPRESSAVG: 752800 21.1894 18.9392 55.3509 22.0919 18.2881 -18.5177 57.5815 -19.5518 -47.2585 TIMING: 752800 CPU: 2243.23, 0.00297275/step Wall: 2243.23, 0.00297275/step, 3.50718 hours remaining, 207.859375 MB of memory in use. ENERGY: 752800 704.0601 2142.0255 1927.5094 97.9887 -205675.2733 17527.2774 0.0000 0.0000 34631.6681 -148644.7441 302.4470 -183276.4122 -148543.2967 301.1727 -208.0626 -181.1708 558898.0088 -2.3941 -2.5937 PRESSURE: 753000 76.4733 -65.8203 74.507 -65.8202 27.8885 -153.956 74.5067 -153.955 -145.115 GPRESSURE: 753000 163.284 8.654 75.369 -152.135 53.7336 -132.578 22.7021 -225.429 -154.372 PRESSAVG: 753000 35.6415 40.0256 24.8643 40.0255 -80.281 -0.401874 24.8642 -0.40189 47.2592 GPRESSAVG: 753000 35.7328 41.7846 23.7412 41.6571 -79.3397 -0.0863722 24.4555 0.0415207 45.8982 TIMING: 753000 CPU: 2243.83, 0.00301031/step Wall: 2243.83, 0.00301031/step, 3.55133 hours remaining, 207.859375 MB of memory in use. ENERGY: 753000 767.5280 2127.7854 1961.1644 120.8432 -205861.6172 17734.6587 0.0000 0.0000 34486.5045 -148663.1330 301.1792 -183149.6375 -148559.7919 300.7061 -13.5843 20.8818 558899.3866 0.8732 0.7638 PRESSURE: 753200 259.027 -53.0283 -61.3646 -53.0281 -15.1983 -182.413 -61.3643 -182.414 26.2598 GPRESSURE: 753200 277.947 -141.004 -81.0489 -48.3308 54.7395 -213.439 7.10624 -177.384 49.2459 PRESSAVG: 753200 16.504 1.73102 62.5963 1.73101 -5.02381 -43.8451 62.5961 -43.8451 7.98646 GPRESSAVG: 753200 17.1823 4.3559 65.1727 -1.21146 -6.43744 -45.8826 61.1642 -44.8661 8.683 TIMING: 753200 CPU: 2244.43, 0.0029897/step Wall: 2244.43, 0.0029897/step, 3.52685 hours remaining, 207.859375 MB of memory in use. ENERGY: 753200 774.5971 2050.6542 1935.8801 113.8534 -205630.8071 17751.9144 0.0000 0.0000 34381.5386 -148622.3693 300.2625 -183003.9080 -148523.4178 300.0691 90.0295 127.3108 558206.7657 6.4889 6.4759 PRESSURE: 753400 -26.2771 -27.813 -96.8424 -27.8128 -164.539 6.08729 -96.8416 6.08763 -57.1441 GPRESSURE: 753400 14.3389 22.9305 -99.103 -139.736 -157.668 2.7238 -62.4691 8.76679 -15.2575 PRESSAVG: 753400 1.95735 -32.3668 -46.9852 -32.3668 -12.4836 -21.3197 -46.9852 -21.3196 22.3627 GPRESSAVG: 753400 1.15752 -33.2158 -47.5926 -33.7945 -12.5573 -19.1525 -46.1821 -21.6338 23.0032 TIMING: 753400 CPU: 2245.03, 0.00301258/step Wall: 2245.03, 0.00301258/step, 3.55368 hours remaining, 207.859375 MB of memory in use. ENERGY: 753400 730.9681 2009.4160 1972.3534 120.6779 -205620.0935 17562.5931 0.0000 0.0000 34448.0316 -148776.0535 300.8432 -183224.0850 -148679.3616 300.9538 -82.6533 -52.8622 556652.3722 3.9455 3.8678 PRESSURE: 753600 -81.5555 138.068 -34.2618 138.069 31.0794 -127.732 -34.2613 -127.731 -420.986 GPRESSURE: 753600 -21.1091 94.5429 20.4706 142.911 -3.49386 -214.757 -51.5574 -118.417 -357.745 PRESSAVG: 753600 34.4606 10.4486 -51.5063 10.4486 -9.84396 -68.7164 -51.5063 -68.7164 -22.192 GPRESSAVG: 753600 35.4496 7.74459 -50.4277 13.1472 -10.5263 -69.3388 -51.4067 -69.54 -22.0515 TIMING: 753600 CPU: 2245.63, 0.00299903/step Wall: 2245.63, 0.00299903/step, 3.53752 hours remaining, 207.859375 MB of memory in use. ENERGY: 753600 733.6291 2120.5860 1954.5906 123.7573 -205759.1460 17533.7011 0.0000 0.0000 34596.3725 -148696.5095 302.1387 -183292.8820 -148599.1175 300.3301 -157.1540 -127.4493 558206.5871 0.8082 0.9573 PRESSURE: 753800 -26.3135 64.6607 -90.6353 64.6603 -31.1999 -36.3773 -90.6357 -36.3783 -137.093 GPRESSURE: 753800 43.0385 67.0773 -56.1983 15.8049 -5.6978 -39.6476 -136.727 -39.2058 -133.331 PRESSAVG: 753800 -56.5211 30.7032 -50.3553 30.7032 19.2721 -5.37503 -50.3553 -5.375 -4.80635 GPRESSAVG: 753800 -56.2479 31.4702 -53.2834 29.8731 21.7007 -3.10626 -47.7893 -4.48648 -6.8832 TIMING: 753800 CPU: 2246.24, 0.00301624/step Wall: 2246.24, 0.00301624/step, 3.55766 hours remaining, 207.859375 MB of memory in use. ENERGY: 753800 736.9762 2088.5413 1923.3236 106.1929 -205960.9956 17763.7132 0.0000 0.0000 34448.7158 -148893.5328 300.8492 -183342.2486 -148787.5612 300.1824 -64.8689 -31.9967 559447.0619 -14.0184 -13.8101 PRESSURE: 754000 -40.877 26.7035 -121.613 26.7024 10.818 120.773 -121.612 120.772 -353.651 GPRESSURE: 754000 -4.89353 -51.7734 -209.127 88.0642 29.1531 179.619 -79.3401 50.9642 -322.377 PRESSAVG: 754000 -35.996 14.4307 0.729361 14.4308 72.2683 -1.21431 0.729364 -1.21423 -39.9463 GPRESSAVG: 754000 -36.4648 15.8491 1.8703 15.2354 70.4598 -2.07377 -0.5865 -0.323713 -37.7973 TIMING: 754000 CPU: 2246.84, 0.00301019/step Wall: 2246.84, 0.00301019/step, 3.55035 hours remaining, 207.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 754000 750.2145 2064.7068 1965.5613 112.4143 -205792.1719 17653.0531 0.0000 0.0000 34363.2562 -148882.9657 300.1029 -183246.2219 -148786.9014 300.4709 -127.9034 -99.3726 559772.7929 -1.2246 -1.2674 PRESSURE: 754200 -195.823 -82.7937 26.3304 -82.7935 -17.6667 -34.4785 26.3305 -34.4784 -275.755 GPRESSURE: 754200 -115.222 14.0954 -54.805 -125.826 3.54353 -39.8582 -10.6187 53.942 -270.322 PRESSAVG: 754200 -42.2816 -8.58648 -5.76989 -8.5864 76.298 -29.2788 -5.76996 -29.2788 -61.5449 GPRESSAVG: 754200 -43.4461 -8.9932 -5.82866 -7.70188 77.255 -30.3647 -6.6089 -28.5625 -61.3943 TIMING: 754200 CPU: 2247.43, 0.0029729/step Wall: 2247.43, 0.0029729/step, 3.50621 hours remaining, 207.859375 MB of memory in use. ENERGY: 754200 756.3888 2086.8365 1954.2087 105.0416 -205903.5281 17559.9738 0.0000 0.0000 34515.8253 -148925.2533 301.4353 -183441.0785 -148824.2280 300.6092 -163.0815 -127.3335 558725.0640 -9.1762 -9.1951 PRESSURE: 754400 -243.886 -64.0229 13.6453 -64.0228 -87.2127 -13.4831 13.6467 -13.4825 -82.4766 GPRESSURE: 754400 -156.537 -93.4686 45.136 64.0006 -104.915 49.6903 50.119 -11.9373 -57.3531 PRESSAVG: 754400 -67.8614 -10.9848 -2.92949 -10.9847 23.2535 -4.19007 -2.92949 -4.19017 -7.57243 GPRESSAVG: 754400 -66.7357 -10.3592 -1.56062 -12.8735 22.5408 -3.66593 -2.19423 -6.77151 -7.52878 TIMING: 754400 CPU: 2248.03, 0.00296769/step Wall: 2248.03, 0.00296769/step, 3.49989 hours remaining, 207.859375 MB of memory in use. ENERGY: 754400 771.2605 2090.0041 1953.9613 114.0348 -205942.0171 17621.4479 0.0000 0.0000 34621.8724 -148769.4361 302.3614 -183391.3086 -148673.1671 301.4569 -137.8585 -106.2686 556687.4397 -17.3934 -17.2412 PRESSURE: 754600 79.322 67.5706 -52.3695 67.5712 -48.5628 92.287 -52.37 92.2867 48.7578 GPRESSURE: 754600 100.416 61.0543 -2.7595 80.6534 -15.9576 166.164 -27.2615 22.0145 79.8864 PRESSAVG: 754600 5.70168 16.3508 -57.9417 16.3508 -32.3335 -16.4098 -57.9417 -16.4099 15.0571 GPRESSAVG: 754600 4.27957 14.4057 -58.7093 18.0219 -30.8399 -15.9652 -59.345 -14.5232 15.371 TIMING: 754600 CPU: 2248.62, 0.00298446/step Wall: 2248.62, 0.00298446/step, 3.51951 hours remaining, 207.859375 MB of memory in use. ENERGY: 754600 746.6306 2135.6396 1960.4878 116.8038 -206300.1723 17939.9206 0.0000 0.0000 34597.3850 -148803.3049 302.1476 -183400.6899 -148700.6766 300.9901 26.5056 54.7817 556613.4632 -3.8583 -3.7298 PRESSURE: 754800 53.0235 109.335 19.0565 109.333 -48.8153 93.2459 19.057 93.2446 103.842 GPRESSURE: 754800 53.3254 114.904 -7.45511 120.702 -30.1576 12.9957 -16.2493 88.0994 159.992 PRESSAVG: 754800 77.0125 -23.0353 -16.2488 -23.0354 -53.7926 26.2605 -16.2488 26.2605 2.67716 GPRESSAVG: 754800 77.8155 -18.8672 -15.7771 -25.433 -54.1428 27.0636 -14.4633 24.9258 1.72962 TIMING: 754800 CPU: 2249.22, 0.00298173/step Wall: 2249.22, 0.00298173/step, 3.51612 hours remaining, 207.859375 MB of memory in use. ENERGY: 754800 748.1258 2115.2099 1929.5436 104.1648 -206169.2878 17923.9774 0.0000 0.0000 34581.8537 -148766.4126 302.0119 -183348.2663 -148665.5899 300.9459 36.0166 61.0531 557173.4756 8.6324 8.4675 PRESSURE: 755000 196.928 -43.5915 116.196 -43.5909 -42.9644 218.868 116.197 218.866 -39.8472 GPRESSURE: 755000 201.632 -0.815521 122.515 -77.3987 35.5476 191.823 73.2375 151.703 -27.9387 PRESSAVG: 755000 59.2264 46.2843 70.7485 46.2842 -27.2236 32.5547 70.7486 32.5548 -2.11948 GPRESSAVG: 755000 59.5346 43.4886 69.0575 46.7773 -27.9966 32.7191 71.8955 31.8401 -1.94913 TIMING: 755000 CPU: 2249.82, 0.00297076/step Wall: 2249.82, 0.00297076/step, 3.50302 hours remaining, 207.859375 MB of memory in use. ENERGY: 755000 736.4780 2092.4866 1971.5847 105.3097 -206032.7796 17750.1440 0.0000 0.0000 34545.3361 -148831.4405 301.6930 -183376.7766 -148734.6522 301.8944 38.0388 69.7470 556712.4643 9.9611 9.8629 PRESSURE: 755200 177.506 46.4567 -178.399 46.4587 107.463 -27.2469 -178.398 -27.2456 -273.867 GPRESSURE: 755200 251.081 2.30318 -99.7745 86.3371 61.2213 -24.51 -260.898 12.1578 -201.912 PRESSAVG: 755200 -66.3274 -30.9132 -45.5785 -30.9131 68.7225 -18.7123 -45.5785 -18.7122 -48.6464 GPRESSAVG: 755200 -66.7553 -30.8046 -43.7156 -30.9568 69.6342 -20.6179 -46.9423 -18.1594 -49.4989 TIMING: 755200 CPU: 2250.41, 0.00296562/step Wall: 2250.41, 0.00296562/step, 3.49679 hours remaining, 207.859375 MB of memory in use. ENERGY: 755200 744.3596 2118.5158 1952.1049 117.5412 -205909.1040 17841.0116 0.0000 0.0000 34286.8439 -148848.7268 299.4355 -183135.5708 -148748.5227 301.3817 3.7006 36.7968 557468.9343 -15.4171 -15.5400 PRESSURE: 755400 187.848 -146.192 -119.514 -146.193 0.167356 -168.622 -119.515 -168.622 -209.991 GPRESSURE: 755400 205.974 -97.5992 -273.125 -196.778 72.0929 -116.168 -82.2025 -182.331 -208.489 PRESSAVG: 755400 42.8974 1.88461 3.86168 1.88466 6.38739 -42.5743 3.86165 -42.5743 -40.7167 GPRESSAVG: 755400 42.3898 2.2309 2.6445 0.26861 6.26536 -44.3306 2.90509 -42.868 -40.5499 TIMING: 755400 CPU: 2251.01, 0.0029918/step Wall: 2251.01, 0.0029918/step, 3.52749 hours remaining, 207.859375 MB of memory in use. ENERGY: 755400 780.3248 2130.2405 1921.6136 102.4115 -206376.1135 17781.8994 0.0000 0.0000 34562.6889 -149096.9348 301.8446 -183659.6237 -148998.5295 300.2931 -7.3252 23.1926 555893.2524 2.8561 2.7018 PRESSURE: 755600 -22.5691 113.212 7.15902 113.211 81.2142 -124.366 7.15896 -124.367 1.9339 GPRESSURE: 755600 25.5106 49.9124 -40.4309 96.2498 86.784 -201.103 53.4335 -93.5982 52.0918 PRESSAVG: 755600 24.8984 -28.0291 2.63422 -28.0291 24.169 -20.3542 2.63424 -20.3542 -27.8487 GPRESSAVG: 755600 24.7723 -28.5085 3.21916 -25.0752 23.4842 -18.9939 3.24595 -20.9111 -27.538 TIMING: 755600 CPU: 2251.6, 0.002973/step Wall: 2251.6, 0.002973/step, 3.50517 hours remaining, 207.859375 MB of memory in use. ENERGY: 755600 737.7484 2060.2016 1954.4564 133.9329 -206190.2585 17743.3744 0.0000 0.0000 34372.7814 -149187.7634 300.1860 -183560.5448 -149088.7034 300.0108 20.1930 54.7955 558380.6331 7.0729 6.9062 PRESSURE: 755800 162.625 152.205 107.113 152.205 -135.75 -139.346 107.114 -139.346 -183.515 GPRESSURE: 755800 195.072 93.0147 100.282 230.608 -127.357 -48.916 42.2992 -152.075 -137.274 PRESSAVG: 755800 -0.890878 14.2381 4.4199 14.2381 42.6496 -34.2605 4.41986 -34.2606 -64.4802 GPRESSAVG: 755800 -1.38738 13.5794 5.40012 15.0104 43.2202 -33.4708 5.0639 -33.7552 -64.2032 TIMING: 755800 CPU: 2252.2, 0.00297509/step Wall: 2252.2, 0.00297509/step, 3.50747 hours remaining, 207.859375 MB of memory in use. ENERGY: 755800 730.7069 2095.7052 1934.2789 128.9578 -205938.2314 17720.3294 0.0000 0.0000 34319.4362 -149008.8169 299.7202 -183328.2531 -148911.4688 300.3502 -52.2132 -23.1861 557959.0535 -7.5738 -7.4568 PRESSURE: 756000 -4.48294 -105.852 -103.814 -105.852 -169.071 0.505575 -103.813 0.505077 -40.173 GPRESSURE: 756000 37.6728 -19.3043 -58.4639 -149.775 -154.933 -37.9569 -167.519 129.388 1.39447 PRESSAVG: 756000 -20.8823 9.22493 5.47562 9.22489 60.4239 -11.5517 5.47576 -11.5518 -6.55369 GPRESSAVG: 756000 -21.2227 10.8678 5.38788 8.68106 60.6125 -12.2251 3.8747 -10.0026 -6.10233 TIMING: 756000 CPU: 2252.79, 0.00299058/step Wall: 2252.79, 0.00299058/step, 3.52556 hours remaining, 207.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 756000 756.3315 2042.5577 1952.6520 112.6116 -205724.2733 17574.9561 0.0000 0.0000 34237.3853 -149047.7792 299.0036 -183285.1645 -148950.1938 299.7471 -71.2424 -38.6220 558110.5626 10.9960 11.0958 PRESSURE: 756200 104.471 -50.4321 53.0089 -50.4319 107.192 -117.376 53.009 -117.373 -212.101 GPRESSURE: 756200 147.971 -38.6261 32.2436 -12.4887 113.443 -155.926 61.5363 -148.113 -171.657 PRESSAVG: 756200 -66.6734 31.4231 -68.8736 31.4231 58.7579 -4.91897 -68.8736 -4.91893 -64.4109 GPRESSAVG: 756200 -65.6685 31.8046 -70.0776 30.8815 58.9208 -4.95287 -67.797 -4.29701 -65.0213 TIMING: 756200 CPU: 2253.39, 0.00299457/step Wall: 2253.39, 0.00299457/step, 3.5301 hours remaining, 207.859375 MB of memory in use. ENERGY: 756200 722.2536 2112.0450 1942.1981 117.7112 -205991.1888 17722.5157 0.0000 0.0000 34403.8277 -148970.6374 300.4572 -183374.4651 -148874.4473 300.3963 -0.1460 29.9194 558173.4004 -24.1088 -23.9230 LDB: ============= START OF LOAD BALANCING ============== 2256.94 LDB: ============== END OF LOAD BALANCING =============== 2256.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2256.94 LDB: ============= START OF LOAD BALANCING ============== 2257.24 LDB: Largest compute 4796 load 0.028350 is 24.0% of average load 0.118100 LDB: Average compute 0.001738 is 1.5% of average load 0.118100 LDB: TIME 2257.25 LOAD: AVG 0.1181 MAX 0.207114 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.633 MB LDB: TIME 2257.25 LOAD: AVG 0.1181 MAX 0.207114 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.832 MB LDB: TIME 2257.25 LOAD: AVG 0.1181 MAX 0.207114 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.832 MB LDB: ============== END OF LOAD BALANCING =============== 2257.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2257.25 PRESSURE: 756400 -131.308 10.7385 77.0927 10.7382 122.665 59.0048 77.0932 59.0062 -171.139 GPRESSURE: 756400 -102.008 21.6789 163.76 60.8058 117.243 52.0126 -54.5769 10.0922 -112.243 PRESSAVG: 756400 -31.051 20.1078 -3.78514 20.1077 110.58 44.47 -3.78522 44.4701 -61.868 GPRESSAVG: 756400 -31.9377 17.9428 -1.60618 21.21 110.163 45.8798 -5.14204 43.0763 -60.6139 TIMING: 756400 CPU: 2254, 0.00303979/step Wall: 2254, 0.00303979/step, 3.58324 hours remaining, 206.121094 MB of memory in use. ENERGY: 756400 778.4272 2090.6492 1942.3947 111.1158 -206123.4277 17798.6147 0.0000 0.0000 34549.2338 -148852.9923 301.7271 -183402.2261 -148751.1435 300.2230 -59.9276 -32.3362 557747.8374 5.8869 5.8706 PRESSURE: 756600 -337.792 -25.1899 13.8607 -25.1898 -180.917 -39.24 13.8605 -39.2395 -292.526 GPRESSURE: 756600 -269.434 -8.83546 9.17966 -36.4005 -157.756 -68.3785 -68.5146 -110.87 -286.81 PRESSAVG: 756600 13.9474 -2.06223 -30.4716 -2.06222 21.5891 -1.57504 -30.4715 -1.57509 4.99635 GPRESSAVG: 756600 15.915 0.658805 -31.6867 -2.80994 21.215 -2.5102 -29.6937 -1.60287 4.03081 TIMING: 756600 CPU: 2254.6, 0.00299684/step Wall: 2254.6, 0.00299684/step, 3.53244 hours remaining, 206.121094 MB of memory in use. ENERGY: 756600 750.6091 2072.2437 1934.9941 105.0589 -205322.7158 17361.7068 0.0000 0.0000 34391.8436 -148706.2596 300.3525 -183098.1032 -148605.0355 301.3318 -270.4117 -237.9997 558320.8774 13.5110 13.7203 PRESSURE: 756800 -320.63 -83.0637 -42.9272 -83.0632 -227.843 100.968 -42.928 100.969 -77.3659 GPRESSURE: 756800 -313.394 -27.8644 4.48669 -131.489 -171.199 104.665 -52.0293 48.0412 -49.4706 PRESSAVG: 756800 -22.9594 -31.0214 -23.6021 -31.0214 -10.0264 -11.2189 -23.602 -11.2189 -48.1682 GPRESSAVG: 756800 -23.1926 -33.0764 -22.937 -30.7129 -9.92737 -10.8312 -22.9648 -9.85487 -48.2157 TIMING: 756800 CPU: 2255.2, 0.00298875/step Wall: 2255.2, 0.00298875/step, 3.52274 hours remaining, 206.121094 MB of memory in use. ENERGY: 756800 762.7845 2078.1235 1960.7722 111.0426 -205637.3660 17514.9067 0.0000 0.0000 34346.0152 -148863.7211 299.9523 -183209.7363 -148768.0559 300.6247 -208.6132 -178.0212 558975.1820 -27.0514 -27.1119 PRESSURE: 757000 -10.2921 65.5172 37.3551 65.5164 -43.8847 -23.2193 37.355 -23.2181 -179.821 GPRESSURE: 757000 -11.4983 30.6586 114.346 129.524 -1.22406 -136.053 26.263 8.07462 -120.272 PRESSAVG: 757000 23.5458 9.46473 24.3802 9.46483 2.41617 25.2859 24.3801 25.2858 -26.0856 GPRESSAVG: 757000 22.0104 10.669 24.728 10.8004 4.76829 22.3175 23.8986 25.3883 -26.9014 TIMING: 757000 CPU: 2255.79, 0.00297028/step Wall: 2255.79, 0.00297028/step, 3.5008 hours remaining, 206.121094 MB of memory in use. ENERGY: 757000 738.0583 2046.3095 1928.4311 126.7760 -205864.9502 17777.0571 0.0000 0.0000 34503.0343 -148745.2838 301.3236 -183248.3181 -148653.5884 300.9194 -77.9991 -44.3315 558471.5757 -0.0412 -0.0409 PRESSURE: 757200 -348.306 -11.5668 -202.342 -11.5671 -379.801 -84.6512 -202.342 -84.6527 172.381 GPRESSURE: 757200 -272.517 22.7162 -194.297 -14.5715 -344.21 -42.635 -223.072 -117.323 156.609 PRESSAVG: 757200 33.2767 0.269047 47.6752 0.269107 14.7236 -8.29232 47.6752 -8.29229 -3.72247 GPRESSAVG: 757200 35.5623 -0.880909 48.4585 -1.11612 13.7575 -5.85428 47.2168 -9.66648 -4.91594 TIMING: 757200 CPU: 2256.39, 0.00297072/step Wall: 2256.39, 0.00297072/step, 3.50116 hours remaining, 206.121094 MB of memory in use. ENERGY: 757200 704.2765 2030.3376 1937.1462 100.8124 -205486.0555 17426.8204 0.0000 0.0000 34364.8427 -148921.8197 300.1167 -183286.6623 -148824.8005 300.5996 -185.2420 -153.3725 559330.6711 14.7593 14.8013 PRESSURE: 757400 102.355 -79.9011 144.473 -79.9012 29.405 20.7063 144.472 20.7076 203.98 GPRESSURE: 757400 150.382 -64.8256 99.3849 -35.0174 65.0687 40.7526 117.775 -86.1103 209.844 PRESSAVG: 757400 -33.2369 -37.7626 45.7748 -37.7626 9.4296 -7.43842 45.7747 -7.4383 44.33 GPRESSAVG: 757400 -33.4772 -38.9793 43.8197 -35.7565 8.54793 -6.60072 46.504 -7.08812 45.8814 TIMING: 757400 CPU: 2256.98, 0.00297756/step Wall: 2256.98, 0.00297756/step, 3.50906 hours remaining, 206.121094 MB of memory in use. ENERGY: 757400 710.0744 2099.6268 1937.8118 116.3924 -206455.5006 18192.6378 0.0000 0.0000 34330.5438 -149068.4135 299.8172 -183398.9573 -148971.8228 299.7596 111.9133 141.7649 559182.2982 6.8409 6.9840 PRESSURE: 757600 -122.347 10.6025 264.765 10.6031 -240.588 -125.453 264.765 -125.451 -19.3443 GPRESSURE: 757600 -139.565 26.7611 172.029 26.3425 -153.033 -38.0479 343.705 -155.58 9.23611 PRESSAVG: 757600 -60.1261 19.2033 101.224 19.2032 3.32996 35.4075 101.224 35.4075 21.7755 GPRESSAVG: 757600 -60.4034 18.4747 99.6548 19.8469 3.37806 34.5077 100.625 33.3744 22.621 TIMING: 757600 CPU: 2257.58, 0.00298325/step Wall: 2257.58, 0.00298325/step, 3.5156 hours remaining, 206.121094 MB of memory in use. ENERGY: 757600 759.5313 2035.9638 1939.4021 104.5640 -205766.3742 17637.6609 0.0000 0.0000 34258.3331 -149030.9190 299.1865 -183289.2521 -148929.6597 299.4051 -127.4263 -94.4540 558412.5969 -11.6735 -11.4681 PRESSURE: 757800 220.633 -124.043 4.6848 -124.044 -34.8623 -138.936 4.6849 -138.935 120.699 GPRESSURE: 757800 284.506 -136.36 114.32 -106.535 -15.6623 -202.233 20.0683 -72.4611 143.815 PRESSAVG: 757800 13.4143 -47.1214 7.72795 -47.1214 0.312117 -14.2299 7.72787 -14.23 15.7039 GPRESSAVG: 757800 12.6306 -45.8006 10.079 -48.0105 0.816973 -14.1855 8.78434 -12.9668 15.383 TIMING: 757800 CPU: 2258.17, 0.00296109/step Wall: 2258.17, 0.00296109/step, 3.48932 hours remaining, 206.121094 MB of memory in use. ENERGY: 757800 706.6343 2088.9992 1955.3878 115.0087 -206086.7710 17851.9783 0.0000 0.0000 34210.0646 -149158.6981 298.7650 -183368.7627 -149067.1507 298.9467 102.1568 137.5529 556528.5860 9.8101 9.6102 PRESSURE: 758000 -206.483 -9.91061 64.6736 -9.91111 -391.524 26.5265 64.6741 26.5279 -193.586 GPRESSURE: 758000 -188.896 12.3443 65.1272 -65.7677 -365.171 31.6359 98.3511 0.283583 -152.124 PRESSAVG: 758000 -10.9317 -1.52372 39.027 -1.52366 -54.8205 0.537442 39.027 0.537488 100.153 GPRESSAVG: 758000 -9.87597 -0.666231 39.3092 -2.30606 -55.4853 0.682606 38.7947 1.84056 99.5198 TIMING: 758000 CPU: 2258.77, 0.00300588/step Wall: 2258.77, 0.00300588/step, 3.54193 hours remaining, 206.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 758000 735.3560 2048.9512 1939.3072 101.5925 -205315.4628 17143.9128 0.0000 0.0000 34284.7443 -149061.5989 299.4172 -183346.3432 -148955.7554 299.3857 -263.8645 -235.3969 557986.3676 11.4670 11.3862 PRESSURE: 758200 -69.8978 71.3259 -79.773 71.3252 56.1791 2.73395 -79.772 2.73495 -109.05 GPRESSURE: 758200 -29.3997 -10.6758 -144.233 104.138 148.833 -26.3494 -34.0468 3.79283 -142.148 PRESSAVG: 758200 -13.7363 -44.1454 47.2482 -44.1454 23.078 -52.2311 47.2482 -52.2311 -7.26522 GPRESSAVG: 758200 -14.3791 -43.8196 47.6908 -45.9179 23.0259 -52.1757 46.7573 -54.6224 -6.66232 TIMING: 758200 CPU: 2259.37, 0.00298566/step Wall: 2259.37, 0.00298566/step, 3.51794 hours remaining, 206.121094 MB of memory in use. ENERGY: 758200 748.0098 2117.6718 1925.0502 111.8515 -206298.4652 17985.7828 0.0000 0.0000 34280.2518 -149129.8473 299.3780 -183410.0991 -149028.8497 299.3669 -40.9228 -7.5716 558736.4354 0.6921 0.6615 PRESSURE: 758400 -51.5625 150.314 -96.2069 150.314 56.8846 -69.6025 -96.2061 -69.6016 -279.167 GPRESSURE: 758400 -27.8982 205.417 -181.381 82.7993 87.2744 -60.2912 -114.18 -92.7288 -222.392 PRESSAVG: 758400 -11.1183 7.84895 -4.8173 7.849 -23.6404 -2.21502 -4.81728 -2.21503 12.3022 GPRESSAVG: 758400 -11.7629 6.30753 -5.13954 9.4054 -22.18 -2.67403 -5.30896 -1.63188 11.5361 TIMING: 758400 CPU: 2259.97, 0.00299355/step Wall: 2259.97, 0.00299355/step, 3.52707 hours remaining, 206.121094 MB of memory in use. ENERGY: 758400 752.3962 2112.2695 1956.2175 109.8343 -205821.7549 17747.7367 0.0000 0.0000 34111.8486 -149031.4522 297.9073 -183143.3008 -148930.2306 299.3154 -91.2817 -54.3387 559114.8310 -7.4855 -7.4689 PRESSURE: 758600 63.0892 151.704 -69.135 151.704 -234.551 -17.3726 -69.1334 -17.3746 -68.0815 GPRESSURE: 758600 77.8821 180.073 -7.56695 155.456 -184.984 56.8533 -112.371 -75.3673 -37.6204 PRESSAVG: 758600 48.068 -5.0997 13.1806 -5.0997 -68 -18.5097 13.1806 -18.5099 52.9757 GPRESSAVG: 758600 48.3354 -3.26061 10.417 -5.5672 -68.7099 -19.7302 15.5923 -18.2513 53.831 TIMING: 758600 CPU: 2260.57, 0.00299866/step Wall: 2260.57, 0.00299866/step, 3.53292 hours remaining, 206.121094 MB of memory in use. ENERGY: 758600 711.4076 2094.8846 1905.0036 115.6869 -205905.4565 17599.1961 0.0000 0.0000 34279.3462 -149199.9315 299.3701 -183479.2776 -149097.8267 300.0757 -79.8478 -48.2408 559023.4499 11.0146 11.1521 PRESSURE: 758800 -10.0539 -117.627 -85.922 -117.627 -153.638 -11.302 -85.9225 -11.3013 -15.2095 GPRESSURE: 758800 35.5592 -155.719 -50.8881 -70.7599 -153.372 -28.5376 -35.0637 45.4362 36.5298 PRESSAVG: 758800 34.777 63.7845 36.7635 63.7845 -77.3252 5.21889 36.7635 5.21874 38.1737 GPRESSAVG: 758800 34.3234 61.1964 37.1564 64.05 -76.9209 7.05045 36.6679 5.25048 38.8335 TIMING: 758800 CPU: 2261.16, 0.00298156/step Wall: 2261.16, 0.00298156/step, 3.51261 hours remaining, 206.121094 MB of memory in use. ENERGY: 758800 706.2596 2018.2171 1926.8383 109.3193 -205945.9929 17811.4354 0.0000 0.0000 34106.0901 -149267.8331 297.8570 -183373.9232 -149175.3343 298.7085 -59.6339 -27.0943 558505.0474 -1.4582 -1.2547 PRESSURE: 759000 -25.5138 -83.5238 -101.479 -83.5231 41.8322 -38.7928 -101.48 -38.7914 14.064 GPRESSURE: 759000 6.51344 80.1763 -116.359 -77.6798 94.9321 44.7019 -40.84 -18.271 33.2278 PRESSAVG: 759000 -9.69188 -9.4207 -2.86381 -9.4209 17.4503 17.6282 -2.86374 17.6282 10.9848 GPRESSAVG: 759000 -10.3032 -6.45691 -1.10315 -9.7443 18.4355 14.487 -5.06675 20.208 10.4847 TIMING: 759000 CPU: 2261.76, 0.00295918/step Wall: 2261.76, 0.00295918/step, 3.48608 hours remaining, 206.121094 MB of memory in use. ENERGY: 759000 720.2925 2095.0891 1928.8115 111.9751 -206201.5239 17870.7048 0.0000 0.0000 34234.0569 -149240.5940 298.9745 -183474.6509 -149148.2893 298.4210 10.1275 44.8911 558730.8859 6.2478 6.2057 PRESSURE: 759200 235.593 -67.5491 -71.1081 -67.5486 264.3 25.5964 -71.1088 25.5961 219.979 GPRESSURE: 759200 313.217 -147.577 -98.6805 -35.8148 297.218 19.9284 -105.3 -77.2325 212.074 PRESSAVG: 759200 -46.7483 43.8958 -49.6243 43.8958 -11.6378 1.43208 -49.6243 1.43213 67.4774 GPRESSAVG: 759200 -45.4125 45.3569 -47.7989 43.1227 -13.053 5.66564 -49.6084 -2.36843 67.715 TIMING: 759200 CPU: 2262.35, 0.00298671/step Wall: 2262.35, 0.00298671/step, 3.51835 hours remaining, 206.121094 MB of memory in use. ENERGY: 759200 717.8013 2086.1674 1960.8788 108.5728 -206739.1378 18277.4904 0.0000 0.0000 34375.2143 -149213.0128 300.2073 -183588.2271 -149121.0713 299.4022 239.9573 274.1695 556852.5264 3.0304 3.0832 PRESSURE: 759400 -36.7772 46.0972 -86.6284 46.0966 -65.6235 -44.7608 -86.6271 -44.7599 159.365 GPRESSURE: 759400 -44.9705 63.455 -127.125 33.2465 -21.5222 -8.19134 14.5358 -125.891 219.426 PRESSAVG: 759400 -10.0273 -18.2547 -6.24386 -18.2547 -38.8812 -72.7097 -6.24386 -72.7096 31.908 GPRESSAVG: 759400 -10.1958 -19.7242 -9.15472 -17.5827 -37.2468 -74.4699 -5.0654 -71.5495 30.9974 TIMING: 759400 CPU: 2262.95, 0.00297036/step Wall: 2262.95, 0.00297036/step, 3.49892 hours remaining, 206.121094 MB of memory in use. ENERGY: 759400 751.9952 2060.7268 1907.9281 112.0791 -206321.7567 18083.8683 0.0000 0.0000 34343.0617 -149062.0975 299.9265 -183405.1592 -148971.8084 299.7771 18.9882 50.9776 558046.9455 -5.6668 -5.4817 PRESSURE: 759600 -68.1528 -20.1581 -35.0914 -20.1594 -79.9528 -91.9965 -35.0918 -91.9972 58.2745 GPRESSURE: 759600 -52.5065 -53.4595 56.3446 -45.6879 -66.7959 -68.2349 -43.5014 -160.582 107.169 PRESSAVG: 759600 15.3028 11.374 27.7168 11.374 -86.7091 -14.6461 27.7167 -14.6462 -6.1208 GPRESSAVG: 759600 15.5228 7.86422 26.8796 12.8923 -88.8681 -16.8579 29.7615 -13.3025 -4.70962 TIMING: 759600 CPU: 2263.54, 0.00296484/step Wall: 2263.54, 0.00296484/step, 3.49225 hours remaining, 206.121094 MB of memory in use. ENERGY: 759600 735.3389 2064.5841 1987.8554 95.3163 -206022.1947 17599.0759 0.0000 0.0000 34550.3307 -148989.6935 301.7366 -183540.0242 -148881.2913 299.9945 -29.9437 -4.0445 557294.6669 -25.8424 -26.0183 PRESSURE: 759800 -257.603 58.8708 -64.8385 58.8702 -98.8986 -88.378 -64.8385 -88.3782 -305.484 GPRESSURE: 759800 -180.229 72.0896 -64.9783 66.9355 -42.5365 -74.0603 -57.3124 -34.2393 -344.602 PRESSAVG: 759800 -38.9971 -0.497249 -55.2041 -0.497217 33.5545 -29.7342 -55.2041 -29.7342 18.1851 GPRESSAVG: 759800 -40.7242 2.98745 -53.0853 -1.37313 35.8346 -28.6241 -56.8976 -30.3128 17.5438 TIMING: 759800 CPU: 2264.14, 0.00297921/step Wall: 2264.14, 0.00297921/step, 3.50901 hours remaining, 206.121094 MB of memory in use. ENERGY: 759800 763.2806 2096.5932 1947.2086 116.4688 -205377.5543 17328.7004 0.0000 0.0000 34135.1635 -148990.1391 298.1109 -183125.3026 -148908.2250 300.4681 -220.6619 -189.1225 557692.3068 4.2475 4.2181 PRESSURE: 760000 76.5592 36.7724 -219.819 36.7734 64.3742 54.4983 -219.819 54.4998 -75.1491 GPRESSURE: 760000 115.297 92.2245 -134.946 15.1631 123.129 47.3989 -240.648 31.8998 -67.6531 PRESSAVG: 760000 -19.3328 -6.33396 25.1501 -6.33394 13.0221 1.53687 25.1501 1.5368 -17.9641 GPRESSAVG: 760000 -17.3614 -7.27595 24.8627 -8.04853 11.7717 1.79204 24.783 2.10283 -18.9294 TIMING: 760000 CPU: 2264.73, 0.00297739/step Wall: 2264.73, 0.00297739/step, 3.50671 hours remaining, 206.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 760000 740.7324 2110.7784 1942.1783 112.8421 -205637.6957 17636.0862 0.0000 0.0000 34212.8185 -148882.2597 298.7891 -183095.0783 -148791.1571 299.9173 21.9281 56.9242 558631.9651 -8.0916 -8.1731 PRESSURE: 760200 -174.544 -114.419 86.0105 -114.42 -233.902 59.7223 86.0099 59.7213 -58.6698 GPRESSURE: 760200 -123.599 -136.809 76.7356 -93.7645 -200.62 157.277 48.5719 43.3556 -31.361 PRESSAVG: 760200 -77.2052 -37.3805 4.26343 -37.3806 48.9265 34.0482 4.26346 34.0482 48.0589 GPRESSAVG: 760200 -77.2416 -36.7826 2.74511 -36.1999 49.9432 34.0799 4.64344 35.4517 47.173 TIMING: 760200 CPU: 2265.33, 0.00299245/step Wall: 2265.33, 0.00299245/step, 3.52428 hours remaining, 206.121094 MB of memory in use. ENERGY: 760200 731.3541 2048.0074 1917.4245 111.9417 -205846.9974 17640.5879 0.0000 0.0000 34286.6822 -149110.9996 299.4341 -183397.6818 -149022.6947 299.3879 -155.7055 -118.5266 558760.7852 6.5934 6.6249 LDB: ============= START OF LOAD BALANCING ============== 2268.88 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2268.88 LDB: =============== DONE WITH MIGRATION ================ 2268.88 LDB: ============= START OF LOAD BALANCING ============== 2269.18 LDB: Largest compute 4796 load 0.029475 is 24.9% of average load 0.118184 LDB: Average compute 0.001725 is 1.5% of average load 0.118184 LDB: TIME 2269.18 LOAD: AVG 0.118184 MAX 0.208496 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.145 MB LDB: TIME 2269.18 LOAD: AVG 0.118184 MAX 0.208496 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: TIME 2269.18 LOAD: AVG 0.118184 MAX 0.208496 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2269.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2269.19 PRESSURE: 760400 -299.099 45.5861 281.051 45.5873 -27.2283 12.0944 281.05 12.0913 -60.5756 GPRESSURE: 760400 -239.277 48.3745 216.62 -7.95995 -49.8536 -48.4022 270.533 49.0327 -1.80563 PRESSAVG: 760400 34.3643 1.01596 24.1462 1.01598 -38.9784 60.4173 24.1461 60.4172 34.6427 GPRESSAVG: 760400 32.9627 -0.273509 23.7605 1.86706 -40.0299 59.7953 23.9798 59.1303 36.9863 TIMING: 760400 CPU: 2265.94, 0.0030505/step Wall: 2265.94, 0.0030505/step, 3.59247 hours remaining, 207.968750 MB of memory in use. ENERGY: 760400 737.5050 2063.3355 1931.1588 114.2161 -205793.6915 17470.8575 0.0000 0.0000 34383.8331 -149092.7854 300.2826 -183476.6185 -148992.0119 299.2900 -128.9675 -96.9787 557796.6245 10.0095 9.9730 PRESSURE: 760600 65.5643 -52.1519 -61.1246 -52.1518 -245.372 140.328 -61.1243 140.328 -62.5631 GPRESSURE: 760600 83.0915 -90.4952 36.9315 -56.6102 -264.411 130.801 -93.568 178.491 26.5347 PRESSAVG: 760600 6.53842 -17.5322 18.588 -17.5322 5.51087 19.8083 18.5879 19.8082 57.5176 GPRESSAVG: 760600 8.3271 -17.3152 22.8162 -18.1037 4.33074 20.8028 18.7981 18.9143 57.0826 TIMING: 760600 CPU: 2266.54, 0.00299769/step Wall: 2266.54, 0.00299769/step, 3.53011 hours remaining, 208.039062 MB of memory in use. ENERGY: 760600 732.8730 2121.2780 1938.5240 102.9511 -206057.6568 17716.7504 0.0000 0.0000 34282.8984 -149162.3818 299.4011 -183445.2802 -149070.2601 299.7718 -80.7901 -51.5951 557553.3021 23.1890 23.2468 PRESSURE: 760800 -26.3883 -23.4869 -55.0492 -23.4871 -171.561 248.909 -55.0504 248.91 10.3413 GPRESSURE: 760800 11.2413 36.3409 -132.389 -62.2952 -153.029 317.042 -117.736 244.881 45.0757 PRESSAVG: 760800 -34.3828 -49.8968 -16.5794 -49.8969 -23.0267 46.8303 -16.5794 46.8303 61.7 GPRESSAVG: 760800 -35.0198 -49.8041 -19.7721 -50.491 -21.8675 45.1888 -16.1197 48.1739 60.8114 TIMING: 760800 CPU: 2267.14, 0.00301019/step Wall: 2267.14, 0.00301019/step, 3.54467 hours remaining, 208.039062 MB of memory in use. ENERGY: 760800 741.2150 2111.7015 1944.2823 102.7019 -205875.3155 17689.6390 0.0000 0.0000 34334.9019 -148950.8738 299.8552 -183285.7757 -148863.2732 300.0187 -62.5360 -32.2373 557820.3739 1.4301 1.3080 PRESSURE: 761000 54.218 -8.78276 10.897 -8.78314 29.6162 -119.487 10.8977 -119.486 -16.0467 GPRESSURE: 761000 119.859 28.8682 64.2928 -79.1199 76.2998 -92.124 -14.8384 -123.524 -21.0695 PRESSAVG: 761000 -24.243 -12.7649 -29.006 -12.7649 49.2097 -11.1932 -29.0061 -11.1933 7.61574 GPRESSAVG: 761000 -26.8588 -13.0279 -30.5634 -11.7239 50.1483 -11.2868 -27.8969 -11.47 8.76057 TIMING: 761000 CPU: 2267.75, 0.00301773/step Wall: 2267.75, 0.00301773/step, 3.55337 hours remaining, 208.039062 MB of memory in use. ENERGY: 761000 760.5513 2091.2582 1922.9696 112.1234 -206041.1421 17852.1562 0.0000 0.0000 34383.3172 -148918.7663 300.2781 -183302.0835 -148818.6376 300.6836 22.5958 58.3632 557294.1835 10.8608 10.6834 PRESSURE: 761200 -19.7432 100.366 136.564 100.367 82.5872 -78.8423 136.563 -78.8413 -259.875 GPRESSURE: 761200 15.2084 116.355 81.4153 98.7964 115.319 -29.6907 203.795 -43.2339 -232.473 PRESSAVG: 761200 28.5828 -25.4386 -53.3694 -25.4385 41.1141 -50.0015 -53.3696 -50.0016 -67.6098 GPRESSAVG: 761200 29.3061 -23.3904 -51.8215 -29.066 40.5294 -48.25 -53.6782 -52.6063 -67.6198 TIMING: 761200 CPU: 2268.34, 0.00298828/step Wall: 2268.34, 0.00298828/step, 3.51854 hours remaining, 208.039062 MB of memory in use. ENERGY: 761200 789.9070 2130.4863 1939.9310 115.8682 -205926.4506 17714.1000 0.0000 0.0000 34272.9352 -148963.2229 299.3141 -183236.1582 -148868.0515 300.6914 -65.6769 -33.9819 558890.2930 0.6957 0.7386 PRESSURE: 761400 165.747 46.3938 -31.4955 46.3938 -365.631 187.324 -31.4957 187.323 -59.155 GPRESSURE: 761400 200.652 62.4969 -101.265 66.9351 -356.29 178.901 47.5679 162.699 -2.3873 PRESSAVG: 761400 13.1203 19.599 -42.7077 19.599 -23.5225 -27.0861 -42.7077 -27.086 -30.2413 GPRESSAVG: 761400 13.3107 19.1333 -41.9188 24.1702 -23.6675 -30.4208 -43.7435 -23.55 -30.9627 TIMING: 761400 CPU: 2268.94, 0.00297608/step Wall: 2268.94, 0.00297608/step, 3.504 hours remaining, 208.039062 MB of memory in use. ENERGY: 761400 778.2273 2090.8189 1961.9872 107.1393 -205986.5173 17714.2044 0.0000 0.0000 34351.2338 -148982.9064 299.9979 -183334.1402 -148885.2488 300.0569 -86.3463 -52.6751 557680.5202 -13.5478 -13.7732 PRESSURE: 761600 145.133 76.5115 -59.6826 76.5115 -8.81675 46.7293 -59.6823 46.7312 -152.899 GPRESSURE: 761600 161.001 42.5765 -74.1683 111.738 -0.422688 2.81429 -44.7907 102.899 -86.0154 PRESSAVG: 761600 68.2473 -26.4123 2.2612 -26.4121 22.9137 11.5725 2.26114 11.5725 -45.1783 GPRESSAVG: 761600 68.6462 -26.6188 2.4359 -28.8876 22.2398 14.2803 0.754846 9.29297 -45.6042 TIMING: 761600 CPU: 2269.53, 0.00296886/step Wall: 2269.53, 0.00296886/step, 3.49534 hours remaining, 208.039062 MB of memory in use. ENERGY: 761600 772.5911 2083.0633 1945.8541 121.2026 -205985.2021 17794.6871 0.0000 0.0000 34214.0206 -149053.7834 298.7996 -183267.8039 -148964.2806 299.3071 -5.5273 24.8543 556826.5298 15.3276 15.0939 PRESSURE: 761800 72.4117 125.049 68.4201 125.049 -117.916 -244.764 68.4197 -244.764 188.707 GPRESSURE: 761800 131.221 108.607 67.9444 226.308 -61.6747 -232.098 26.7967 -271.391 156.005 PRESSAVG: 761800 30.9412 0.957915 -60.808 0.957883 8.94156 -94.9153 -60.8082 -94.9153 -18.8834 GPRESSAVG: 761800 30.0229 1.68559 -62.0829 1.32254 8.74388 -95.8772 -59.5861 -92.6369 -18.434 TIMING: 761800 CPU: 2270.13, 0.00297335/step Wall: 2270.13, 0.00297335/step, 3.50046 hours remaining, 208.039062 MB of memory in use. ENERGY: 761800 750.3623 2081.6752 1957.2650 113.8381 -206425.5951 17902.0943 0.0000 0.0000 34479.3225 -149141.0378 301.1165 -183620.3603 -149046.4963 300.0485 47.7343 75.1840 557095.6195 6.9998 6.7776 PRESSURE: 762000 -68.6868 6.01758 84.9258 6.0172 65.3201 139.54 84.926 139.539 11.4808 GPRESSURE: 762000 -16.9461 38.2837 80.5171 37.8279 77.2593 59.7463 78.0866 144.41 52.65 PRESSAVG: 762000 -24.2646 26.6141 -40.4413 26.6141 54.3285 -56.2482 -40.4414 -56.2481 -44.3923 GPRESSAVG: 762000 -23.6765 27.2445 -39.2593 26.7503 54.2705 -57.007 -39.5741 -56.925 -44.6269 TIMING: 762000 CPU: 2270.72, 0.00296215/step Wall: 2270.72, 0.00296215/step, 3.48711 hours remaining, 208.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 762000 747.3711 2080.4158 1943.5925 124.1573 -206447.3811 17901.5563 0.0000 0.0000 34343.0065 -149307.2816 299.9260 -183650.2881 -149208.3454 299.4496 2.7047 37.6544 557401.2656 -4.7761 -4.6776 PRESSURE: 762200 311.545 -138.742 -33.0785 -138.743 74.218 120.655 -33.0772 120.657 -135.393 GPRESSURE: 762200 302.266 -69.7532 -39.3404 -184.593 119.422 52.3742 -57.7458 148.505 -76.4999 PRESSAVG: 762200 -45.5642 20.244 -13.5718 20.244 40.6665 11.9708 -13.5718 11.9708 41.5078 GPRESSAVG: 762200 -44.8658 20.1212 -14.425 18.5181 39.7951 13.1419 -16.4715 11.0554 41.4625 TIMING: 762200 CPU: 2271.32, 0.00298492/step Wall: 2271.32, 0.00298492/step, 3.51375 hours remaining, 208.039062 MB of memory in use. ENERGY: 762200 738.5147 2089.1780 1924.5720 114.7787 -206430.6506 17823.0518 0.0000 0.0000 34435.5381 -149305.0171 300.7341 -183740.5552 -149203.4986 299.7664 83.4568 115.0627 556281.0821 12.2034 12.1306 PRESSURE: 762400 -221.412 102.93 52.734 102.929 -56.8019 64.7395 52.7352 64.7395 -74.2316 GPRESSURE: 762400 -183.651 154.559 80.9487 -16.7474 -54.8382 63.6884 70.3932 76.6017 -20.2421 PRESSAVG: 762400 25.0408 -28.4593 4.26917 -28.4593 71.252 10.4053 4.26918 10.4053 -64.0626 GPRESSAVG: 762400 23.8321 -31.1744 4.86288 -24.6802 71.5892 10.1064 5.00152 9.80614 -62.9063 TIMING: 762400 CPU: 2271.91, 0.00298257/step Wall: 2271.91, 0.00298257/step, 3.51082 hours remaining, 208.039062 MB of memory in use. ENERGY: 762400 727.4787 2093.7164 1933.7067 99.8051 -206135.0169 17641.5513 0.0000 0.0000 34269.8276 -149368.9312 299.2869 -183638.7588 -149275.7813 299.1455 -117.4818 -86.2437 557088.1277 10.7434 10.8383 PRESSURE: 762600 197.068 51.4068 -93.865 51.4064 -180.789 -247.173 -93.8651 -247.173 156.924 GPRESSURE: 762600 210.062 -16.3395 -111.692 63.1307 -125.832 -301.145 -114.481 -210.185 184.023 PRESSAVG: 762600 22.581 28.4424 8.35095 28.4424 -1.68754 21.8624 8.35093 21.8624 -22.4996 GPRESSAVG: 762600 21.649 30.1507 8.90452 28.0579 -1.04747 20.743 8.996 23.4373 -22.5419 TIMING: 762600 CPU: 2272.51, 0.00300525/step Wall: 2272.51, 0.00300525/step, 3.53734 hours remaining, 208.039062 MB of memory in use. ENERGY: 762600 723.6328 2110.9536 1923.1672 107.7388 -206221.5379 17728.7883 0.0000 0.0000 34301.1155 -149326.1418 299.5602 -183627.2573 -149230.6772 298.6708 57.7343 89.4177 556954.4414 -0.5354 -0.6468 PRESSURE: 762800 -59.3763 -69.0341 -61.0137 -69.034 -35.6743 131.132 -61.0127 131.132 -11.1935 GPRESSURE: 762800 -60.7997 -41.7199 -98.2776 -88.8033 31.514 205.981 -1.82424 67.2694 23.2649 PRESSAVG: 762800 -58.2471 26.378 46.7539 26.3781 34.4016 -36.6354 46.7539 -36.6354 40.7905 GPRESSAVG: 762800 -56.8356 27.5475 45.4598 25.9771 34.3044 -33.9303 46.6981 -38.4046 39.4262 TIMING: 762800 CPU: 2273.11, 0.00299899/step Wall: 2273.11, 0.00299899/step, 3.52981 hours remaining, 208.039062 MB of memory in use. ENERGY: 762800 750.4567 2115.7603 1922.1728 105.7012 -206495.2123 17860.5665 0.0000 0.0000 34348.8822 -149391.6727 299.9773 -183740.5549 -149294.2281 299.2997 -35.4147 -2.0069 558003.8426 5.6483 5.6316 PRESSURE: 763000 -171.165 34.5674 -24.9186 34.5689 -121.708 -138.017 -24.9196 -138.016 -22.0457 GPRESSURE: 763000 -114.786 74.3809 -103.507 32.7823 -134.812 -76.4647 21.0769 -110.004 25.4943 PRESSAVG: 763000 -83.0704 53.3446 16.6772 53.3447 67.0743 20.2663 16.6772 20.2664 16.6652 GPRESSAVG: 763000 -82.5229 52.7595 15.7351 51.1799 66.729 16.913 18.1558 23.5843 16.636 TIMING: 763000 CPU: 2273.71, 0.00299299/step Wall: 2273.71, 0.00299299/step, 3.52258 hours remaining, 208.039062 MB of memory in use. ENERGY: 763000 734.1942 2090.3513 1936.5422 126.2310 -206194.2409 17589.8201 0.0000 0.0000 34265.8029 -149451.2992 299.2518 -183717.1021 -149353.5466 298.9058 -104.9726 -74.7011 558921.6621 0.2230 0.2807 PRESSURE: 763200 36.5066 120.895 21.8913 120.896 -83.0238 129.401 21.8927 129.401 -190.027 GPRESSURE: 763200 60.6838 133.135 20.098 196.013 -40.3298 48.3812 49.0681 208.089 -168.267 PRESSAVG: 763200 -24.0598 56.0033 13.791 56.0033 28.3067 12.5117 13.7909 12.5116 -26.0131 GPRESSAVG: 763200 -24.2387 55.409 15.0302 57.7274 28.1079 15.5216 13.5046 8.23441 -25.8448 TIMING: 763200 CPU: 2274.31, 0.00298018/step Wall: 2274.31, 0.00298018/step, 3.50735 hours remaining, 208.039062 MB of memory in use. ENERGY: 763200 749.4050 2134.4645 1923.3041 120.8260 -206585.7737 17840.9474 0.0000 0.0000 34134.0556 -149682.7711 298.1012 -183816.8267 -149579.3521 298.4666 -78.8480 -49.3043 557492.6280 -7.2554 -7.3252 PRESSURE: 763400 -220.021 -56.2714 -6.23373 -56.2709 -12.1678 159.953 -6.23425 159.952 -112.724 GPRESSURE: 763400 -163.317 -31.0002 119.05 -24.9287 40.6513 136.362 -43.1175 189.027 -112.663 PRESSAVG: 763400 -0.126926 53.0004 -13.8759 53.0004 46.197 -37.5334 -13.8758 -37.5333 -23.4856 GPRESSAVG: 763400 -0.571288 53.8603 -12.5347 51.9616 45.8338 -39.4719 -15.5837 -36.5069 -22.6358 TIMING: 763400 CPU: 2274.9, 0.00297684/step Wall: 2274.9, 0.00297684/step, 3.50325 hours remaining, 208.039062 MB of memory in use. ENERGY: 763400 766.1057 2100.4344 1932.9166 106.6421 -206447.5355 17790.4962 0.0000 0.0000 34130.2296 -149620.7109 298.0678 -183750.9405 -149530.1257 297.7467 -114.9711 -78.4428 558458.3771 7.5282 7.5422 PRESSURE: 763600 -49.137 -122.221 57.5365 -122.221 -92.504 -140.74 57.5362 -140.739 -80.6814 GPRESSURE: 763600 -3.16351 -204.305 80.1291 -20.3467 -106.988 -197.612 87.3504 -49.9509 -6.53195 PRESSAVG: 763600 49.6715 -54.2877 10.3343 -54.2877 -17.2563 -24.0498 10.3343 -24.0498 -18.2922 GPRESSAVG: 763600 50.0651 -53.7069 8.7258 -53.9933 -17.1156 -24.1518 11.779 -23.2404 -18.9677 TIMING: 763600 CPU: 2275.5, 0.00295916/step Wall: 2275.5, 0.00295916/step, 3.48227 hours remaining, 208.039062 MB of memory in use. ENERGY: 763600 777.3184 2118.4880 1920.3017 113.0010 -206544.9845 17932.0337 0.0000 0.0000 34097.9225 -149585.9191 297.7856 -183683.8416 -149490.5787 298.0738 -74.1075 -38.8945 558294.2288 4.7077 4.6606 PRESSURE: 763800 -115.416 -159.242 -0.821531 -159.242 -24.8781 -127.494 -0.820685 -127.494 -186.961 GPRESSURE: 763800 -126.502 -194.515 -26.5342 -43.4859 -1.6188 -153.235 -77.1988 -114.116 -112.861 PRESSAVG: 763800 1.53572 -67.9311 -17.0662 -67.9311 -20.2116 -18.2506 -17.0661 -18.2505 27.3907 GPRESSAVG: 763800 0.684105 -68.3826 -17.1547 -68.5082 -19.705 -15.9691 -17.8668 -20.7418 27.3069 TIMING: 763800 CPU: 2276.09, 0.00298135/step Wall: 2276.09, 0.00298135/step, 3.50822 hours remaining, 208.039062 MB of memory in use. ENERGY: 763800 746.5040 2116.5051 1907.4714 123.8653 -206488.4637 17783.3574 0.0000 0.0000 34287.7482 -149523.0123 299.4434 -183810.7605 -149431.3115 297.6715 -109.0851 -80.3274 559804.5204 2.9050 2.7620 PRESSURE: 764000 -195.861 -36.3481 130.95 -36.3467 -108.595 101.768 130.949 101.766 -196.294 GPRESSURE: 764000 -145.509 40.1937 117.48 -105.153 -63.1703 55.9666 78.3714 120.925 -208.152 PRESSAVG: 764000 -29.1156 -12.8536 -18.4476 -12.8536 -9.57269 -14.863 -18.4477 -14.863 9.82066 GPRESSAVG: 764000 -29.2374 -13.6429 -19.4055 -12.2165 -8.67074 -15.3686 -20.527 -16.4307 8.38227 TIMING: 764000 CPU: 2276.68, 0.00295926/step Wall: 2276.68, 0.00295926/step, 3.48207 hours remaining, 208.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 764000 714.8024 2162.4283 1931.9270 103.7837 -206132.5268 17569.3715 0.0000 0.0000 34245.0075 -149405.2064 299.0702 -183650.2139 -149299.8260 298.5978 -166.9166 -138.9437 557893.7246 -9.6225 -9.8420 PRESSURE: 764200 277.236 136.892 -13.3666 136.893 57.3912 -55.2429 -13.3673 -55.2443 125.108 GPRESSURE: 764200 282.792 128.254 -49.6921 160.632 71.6987 23.3304 -77.2748 -63.253 192.747 PRESSAVG: 764200 3.7456 48.1788 -42.3441 48.1787 57.0696 -39.162 -42.3442 -39.1621 -29.5062 GPRESSAVG: 764200 3.38313 47.9478 -42.1698 50.3737 56.2336 -41.3769 -39.4949 -36.5815 -28.0721 TIMING: 764200 CPU: 2277.28, 0.00298911/step Wall: 2277.28, 0.00298911/step, 3.51702 hours remaining, 208.039062 MB of memory in use. ENERGY: 764200 741.1949 2122.3557 1923.1035 110.6252 -206557.7047 18073.1633 0.0000 0.0000 34059.2325 -149528.0296 297.4477 -183587.2621 -149429.3195 298.3821 153.2449 182.4126 558287.1126 10.4363 10.5149 LDB: ============= START OF LOAD BALANCING ============== 2280.83 LDB: ============== END OF LOAD BALANCING =============== 2280.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2280.83 LDB: ============= START OF LOAD BALANCING ============== 2281.13 LDB: Largest compute 4796 load 0.029949 is 25.4% of average load 0.118089 LDB: Average compute 0.001723 is 1.5% of average load 0.118089 LDB: TIME 2281.13 LOAD: AVG 0.118089 MAX 0.206504 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.395 MB LDB: TIME 2281.13 LOAD: AVG 0.118089 MAX 0.206504 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.395 MB LDB: TIME 2281.13 LOAD: AVG 0.118089 MAX 0.206504 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.395 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2281.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2281.14 PRESSURE: 764400 -277.066 -84.8383 116.987 -84.8366 56.968 59.9827 116.985 59.9812 -224.281 GPRESSURE: 764400 -202.356 -138.988 123.584 -11.4908 72.6325 -2.60038 78.6616 72.1959 -215.875 PRESSAVG: 764400 6.62976 -3.1909 -15.8121 -3.19091 30.9177 37.2887 -15.8121 37.2887 -65.4492 GPRESSAVG: 764400 7.25551 -1.98047 -16.0095 -6.21557 30.9076 38.1144 -16.3937 39.6583 -65.9039 TIMING: 764400 CPU: 2277.89, 0.00302855/step Wall: 2277.89, 0.00302855/step, 3.56325 hours remaining, 206.808594 MB of memory in use. ENERGY: 764400 766.2439 2083.0396 1983.0421 120.7833 -205999.5160 17415.7862 0.0000 0.0000 34143.8112 -149486.8097 298.1864 -183630.6209 -149386.0386 298.3860 -148.1264 -115.1996 557221.0282 -9.3006 -9.2469 PRESSURE: 764600 -195.162 -26.2146 204.133 -26.2156 -252.23 -48.3873 204.131 -48.3889 -24.5661 GPRESSURE: 764600 -143.236 -49.4217 175.666 67.0278 -244.146 9.93049 177.895 -41.5779 8.86719 PRESSAVG: 764600 -72.4414 25.615 15.245 25.615 26.5211 52.1847 15.245 52.1846 34.2382 GPRESSAVG: 764600 -72.3315 23.8139 14.6923 27.6903 26.7245 53.7613 15.8993 50.1902 34.0922 TIMING: 764600 CPU: 2278.48, 0.00297983/step Wall: 2278.48, 0.00297984/step, 3.50578 hours remaining, 206.808594 MB of memory in use. ENERGY: 764600 790.9687 2077.3068 1975.6793 110.1647 -206508.1663 17733.9216 0.0000 0.0000 34470.0574 -149350.0678 301.0356 -183820.1252 -149251.1453 299.1962 -157.3196 -126.1714 556888.4684 -3.8940 -3.8383 PRESSURE: 764800 -130.917 -36.0542 -164.616 -36.0539 -142.495 -10.5558 -164.617 -10.5564 -133.718 GPRESSURE: 764800 -151.844 -34.1608 -123.934 24.4467 -102.43 -40.2755 -191.021 31.5027 -55.6065 PRESSAVG: 764800 -72.9644 37.845 -17.0046 37.8449 38.3757 3.74568 -17.0046 3.74558 36.4433 GPRESSAVG: 764800 -73.3594 40.5693 -17.6856 35.4491 38.4143 2.15431 -15.8379 4.92288 36.7902 TIMING: 764800 CPU: 2279.08, 0.00298623/step Wall: 2279.08, 0.00298623/step, 3.51314 hours remaining, 206.808594 MB of memory in use. ENERGY: 764800 767.9303 2143.7706 1975.8696 115.6444 -206354.1760 17731.7231 0.0000 0.0000 34270.9912 -149348.2468 299.2971 -183619.2380 -149248.4096 299.0812 -135.7104 -103.2933 557492.6992 0.6182 0.6151 PRESSURE: 765000 -18.759 -19.9856 -111.605 -19.9853 33.4398 21.591 -111.604 21.5905 55.642 GPRESSURE: 765000 -24.4819 -52.368 -39.899 3.25084 122.349 71.4627 -82.5642 108.47 58.5818 PRESSAVG: 765000 -36.5026 -14.76 -9.24599 -14.76 19.8543 13.9348 -9.24603 13.9348 57.547 GPRESSAVG: 765000 -36.6754 -16.7895 -7.90545 -12.6841 19.9751 13.6453 -12.4516 12.8676 58.5605 TIMING: 765000 CPU: 2279.67, 0.00297316/step Wall: 2279.67, 0.00297316/step, 3.49759 hours remaining, 206.808594 MB of memory in use. ENERGY: 765000 729.0305 2114.6392 1959.0123 117.2939 -206252.3131 17725.2713 0.0000 0.0000 34378.0409 -149229.0250 300.2320 -183607.0659 -149133.8175 299.6868 23.4409 52.1495 556029.2958 13.6329 13.9534 PRESSURE: 765200 -71.7123 104.647 -6.57948 104.646 62.5255 117.019 -6.57916 117.019 187.149 GPRESSURE: 765200 33.9892 35.1319 -34.0062 149.756 73.031 79.6836 34.3246 132.487 179.939 PRESSAVG: 765200 -40.4339 16.7 -23.8283 16.7001 12.1166 3.11544 -23.8284 3.11546 9.66221 GPRESSAVG: 765200 -41.1425 18.1905 -23.367 15.2915 12.3512 4.88373 -24.7509 4.28339 10.0163 TIMING: 765200 CPU: 2280.27, 0.00295753/step Wall: 2280.27, 0.00295753/step, 3.47904 hours remaining, 206.808594 MB of memory in use. ENERGY: 765200 772.0856 2099.3445 1946.9596 100.5140 -206405.7595 17985.8388 0.0000 0.0000 34344.8244 -149156.1925 299.9419 -183501.0169 -149057.5656 299.3775 59.3209 95.6531 556441.5933 -6.2184 -6.2584 PRESSURE: 765400 76.387 286.972 -90.0064 286.972 -96.7646 -40.9564 -90.0061 -40.9552 -73.7831 GPRESSURE: 765400 89.583 352.356 -167.948 159.234 -58.8942 -97.4413 -61.6845 -45.7979 -24.4054 PRESSAVG: 765400 -12.368 64.5988 -7.71178 64.5988 42.0163 29.8428 -7.71181 29.8429 14.7183 GPRESSAVG: 765400 -10.5219 63.7646 -8.87691 66.5794 41.273 29.4229 -5.82414 28.081 13.3542 TIMING: 765400 CPU: 2280.87, 0.00299314/step Wall: 2280.87, 0.00299314/step, 3.52076 hours remaining, 206.808594 MB of memory in use. ENERGY: 765400 805.2000 2062.7967 1925.8452 106.2889 -206569.7881 17941.0353 0.0000 0.0000 34344.9889 -149383.6331 299.9433 -183728.6221 -149288.4045 299.5958 -31.3869 2.0945 557235.2466 14.7889 14.7018 PRESSURE: 765600 -121.453 -29.1297 55.3206 -29.1296 112.611 -40.766 55.3201 -40.7675 82.7369 GPRESSURE: 765600 -139.04 3.36572 106.994 14.6559 145.868 -167.859 -7.92421 15.5751 161.932 PRESSAVG: 765600 -60.5703 28.433 -25.2366 28.4331 24.8628 16.4141 -25.2366 16.4141 25.2136 GPRESSAVG: 765600 -60.8043 29.3804 -25.0866 26.3949 25.1575 17.8581 -25.9547 16.5034 25.2874 TIMING: 765600 CPU: 2281.45, 0.00293862/step Wall: 2281.45, 0.00293862/step, 3.45647 hours remaining, 206.808594 MB of memory in use. ENERGY: 765600 723.3079 2096.2523 1926.8251 101.7462 -206723.3422 17936.3917 0.0000 0.0000 34351.2319 -149587.5870 299.9979 -183938.8190 -149484.1686 298.6880 24.6315 56.2532 557430.2507 -3.4980 -3.4531 PRESSURE: 765800 -369.297 100.861 -1.08216 100.86 9.69258 169.312 -1.08285 169.312 186.99 GPRESSURE: 765800 -299.307 93.1493 52.1614 96.4772 52.4444 219.302 -67.2489 82.9936 163.617 PRESSAVG: 765800 -25.1349 32.4201 -22.9144 32.4201 23.7813 39.6901 -22.9145 39.6901 -3.97369 GPRESSAVG: 765800 -26.1359 31.6882 -21.3221 33.2021 23.8071 37.7572 -23.1489 39.8373 -3.11987 TIMING: 765800 CPU: 2282.04, 0.00294918/step Wall: 2282.04, 0.00294918/step, 3.46873 hours remaining, 206.808594 MB of memory in use. ENERGY: 765800 766.4805 2104.5867 1929.9840 109.9124 -206362.4569 17673.5230 0.0000 0.0000 34222.8738 -149555.0965 298.8769 -183777.9703 -149455.3650 298.4215 -57.5382 -27.7485 557553.5303 -1.7758 -1.8162 PRESSURE: 766000 67.1471 -234.806 49.9584 -234.805 31.3949 54.2953 49.9592 54.296 34.3222 GPRESSURE: 766000 146.532 -264.888 -3.16281 -198.244 37.3302 45.0868 5.67061 78.219 40.6129 PRESSAVG: 766000 12.0705 -1.32052 23.2666 -1.32047 19.8462 44.5143 23.2667 44.5145 36.0809 GPRESSAVG: 766000 13.1824 -2.33188 23.5809 -0.202471 19.0702 44.556 24.9232 45.9656 35.6152 TIMING: 766000 CPU: 2282.63, 0.00294289/step Wall: 2282.63, 0.00294289/step, 3.46117 hours remaining, 206.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 766000 743.9499 2136.0569 1916.1972 120.0629 -206745.1910 17957.7701 0.0000 0.0000 34294.6059 -149576.5481 299.5033 -183871.1540 -149480.2383 298.2401 44.2881 74.8250 556073.5158 22.6659 22.6226 PRESSURE: 766200 -109.648 -202.299 -53.6416 -202.3 -208.132 -14.2853 -53.6414 -14.2845 -189.157 GPRESSURE: 766200 -55.8903 -230.847 -127.553 -118.968 -147.607 -83.2302 8.49906 -53.1028 -194.923 PRESSAVG: 766200 1.38991 -56.567 14.8787 -56.5671 26.2821 -16.8716 14.8787 -16.8715 -22.1424 GPRESSAVG: 766200 1.53917 -56.2375 13.8373 -56.582 26.4772 -16.8331 12.4141 -17.5275 -22.0521 TIMING: 766200 CPU: 2283.23, 0.0029887/step Wall: 2283.23, 0.0029887/step, 3.51488 hours remaining, 206.808594 MB of memory in use. ENERGY: 766200 756.6974 2107.7084 1930.4600 108.8394 -206163.1713 17809.7507 0.0000 0.0000 34110.0461 -149339.6693 297.8915 -183449.7154 -149242.9053 299.2131 -168.9788 -132.8068 558790.4171 1.8432 1.9881 PRESSURE: 766400 -336.834 -42.1623 160.083 -42.1608 -11.7267 18.7415 160.085 18.741 -28.587 GPRESSURE: 766400 -254.757 12.4786 208.232 -32.2666 43.4399 76.9045 61.4101 -74.7609 -61.7256 PRESSAVG: 766400 -6.33565 -54.8522 -27.8738 -54.8522 5.89123 5.12036 -27.8738 5.12048 2.24669 GPRESSAVG: 766400 -7.12623 -54.0303 -28.548 -57.7529 6.82328 4.17745 -27.553 5.19844 2.3742 TIMING: 766400 CPU: 2283.82, 0.00295596/step Wall: 2283.82, 0.00295596/step, 3.47621 hours remaining, 206.808594 MB of memory in use. ENERGY: 766400 771.0466 2135.8994 1939.9418 117.7582 -206051.2610 17643.8456 0.0000 0.0000 34350.9713 -149091.7980 299.9956 -183442.7693 -148984.0873 299.5411 -125.7159 -91.0142 557793.9545 0.6008 0.6904 PRESSURE: 766600 -175.141 148.18 -56.5508 148.18 156.394 -65.9359 -56.5518 -65.9354 88.2264 GPRESSURE: 766600 -162.507 41.3705 -67.4493 200.788 130.699 -71.7561 -58.5689 -40.6033 198.604 PRESSAVG: 766600 -68.3515 24.563 -7.15524 24.563 40.5215 26.8487 -7.15531 26.8488 4.76972 GPRESSAVG: 766600 -66.5088 23.7158 -8.42497 25.2279 38.8903 28.8263 -6.51225 27.81 4.25839 TIMING: 766600 CPU: 2284.42, 0.00300947/step Wall: 2284.42, 0.00300947/step, 3.53897 hours remaining, 206.808594 MB of memory in use. ENERGY: 766600 731.4737 2099.8863 1935.5067 124.5992 -206044.5516 17854.9645 0.0000 0.0000 34255.2939 -149042.8273 299.1600 -183298.1212 -148943.8523 300.0951 23.1598 55.5985 557876.7856 -7.6868 -7.7867 PRESSURE: 766800 -225.664 -63.9086 198.088 -63.9078 -17.1132 155.233 198.087 155.234 200.603 GPRESSURE: 766800 -171.555 6.26586 99.4188 -71.4327 47.3035 163.023 213.008 134.758 184.076 PRESSAVG: 766800 -48.7842 15.2945 44.1071 15.2946 3.7005 21.3664 44.1071 21.3663 34.1926 GPRESSAVG: 766800 -48.9128 14.6126 45.5205 14.803 5.29933 21.4156 44.9621 19.523 33.3537 TIMING: 766800 CPU: 2285.02, 0.00298954/step Wall: 2285.02, 0.00298954/step, 3.51536 hours remaining, 206.808594 MB of memory in use. ENERGY: 766800 799.8205 2097.1005 1955.3699 103.6692 -206113.3800 17676.1632 0.0000 0.0000 34331.4067 -149149.8499 299.8247 -183481.2566 -149055.7679 300.0871 -14.0583 19.9415 557504.2878 -3.6304 -3.4199 PRESSURE: 767000 -140.854 -72.7182 -80.1034 -72.719 -30.1887 -126.781 -80.1039 -126.78 -174.393 GPRESSURE: 767000 -112.037 -65.4867 -82.0568 -53.7224 7.6335 -92.8803 -9.86318 -116.177 -138.591 PRESSAVG: 767000 31.9051 6.4692 -19.3257 6.46908 -55.5092 0.567487 -19.3257 0.567492 65.1119 GPRESSAVG: 767000 31.7783 7.08156 -19.8443 7.91583 -55.0691 -0.00207636 -20.4123 1.27 64.9415 TIMING: 767000 CPU: 2285.61, 0.00295972/step Wall: 2285.61, 0.00295972/step, 3.48014 hours remaining, 206.808594 MB of memory in use. ENERGY: 767000 756.9457 2064.4221 1951.6884 122.1283 -206280.5691 17797.8273 0.0000 0.0000 34293.3902 -149294.1671 299.4927 -183587.5573 -149199.8398 299.5344 -115.1453 -80.9981 556906.7475 13.8359 13.8836 PRESSURE: 767200 110.326 -175.969 143.463 -175.969 53.7209 40.5967 143.464 40.596 -4.39714 GPRESSURE: 767200 147.821 -205.034 39.6708 -140.57 94.6036 49.9972 102.28 98.2679 14.1601 PRESSAVG: 767200 -38.2426 35.0817 4.43533 35.0817 57.1307 -0.338005 4.43527 -0.338045 -11.242 GPRESSAVG: 767200 -37.1055 35.2112 4.99541 33.7773 56.1876 -1.8034 3.1731 0.115908 -11.2477 TIMING: 767200 CPU: 2286.2, 0.00294844/step Wall: 2286.2, 0.00294844/step, 3.46671 hours remaining, 206.808594 MB of memory in use. ENERGY: 767200 731.3135 2096.8222 1933.7396 132.4187 -206334.2276 17899.7632 0.0000 0.0000 34232.5006 -149307.6699 298.9609 -183540.1704 -149207.9323 299.1435 53.2165 85.5281 556751.2359 2.5487 2.6114 PRESSURE: 767400 -285.259 113.996 -19.4932 113.996 16.4505 242.288 -19.494 242.289 -197.619 GPRESSURE: 767400 -253.34 149.046 -32.8751 121.372 -36.509 280.98 -3.61292 191.813 -75.5358 PRESSAVG: 767400 -54.3573 18.0119 15.6128 18.0118 57.2179 10.0426 15.6128 10.0425 -8.31078 GPRESSAVG: 767400 -54.5446 17.5596 16.2769 19.6057 55.754 12.5522 16.593 7.04746 -7.27511 TIMING: 767400 CPU: 2286.79, 0.00296115/step Wall: 2286.79, 0.00296115/step, 3.48149 hours remaining, 206.808594 MB of memory in use. ENERGY: 767400 766.0958 2103.0786 1916.4443 121.0898 -205918.7757 17572.0338 0.0000 0.0000 34150.6985 -149289.3348 298.2465 -183440.0333 -149193.4200 299.4385 -155.4761 -121.7949 557323.4585 -1.8167 -2.0219 PRESSURE: 767600 127.715 -135.601 -44.1539 -135.601 -139.211 -37.6565 -44.1553 -37.6565 -61.0389 GPRESSURE: 767600 134.57 -82.7042 -75.6453 -145.423 -96.8912 81.2873 -107.12 -115.352 -8.60366 PRESSAVG: 767600 -50.8025 -12.4941 -7.32657 -12.494 47.3354 -13.826 -7.32648 -13.8261 41.3451 GPRESSAVG: 767600 -51.6132 -11.796 -9.14319 -13.8126 49.1097 -15.225 -6.70768 -13.0481 40.3148 TIMING: 767600 CPU: 2287.39, 0.00295694/step Wall: 2287.39, 0.00295694/step, 3.47637 hours remaining, 206.808594 MB of memory in use. ENERGY: 767600 768.8872 2052.8138 1932.4584 113.8632 -206014.5727 17897.2023 0.0000 0.0000 34094.1948 -149155.1529 297.7531 -183249.3478 -149057.8318 299.3495 -24.1783 9.6916 558285.7914 12.6260 12.6038 PRESSURE: 767800 -247.507 -16.2875 -23.69 -16.2887 -80.5315 -20.9486 -23.6898 -20.9497 -292.193 GPRESSURE: 767800 -174.172 8.17487 -12.3877 -40.6385 -45.5023 -84.2942 28.4525 90.466 -316.205 PRESSAVG: 767800 11.0631 -39.9273 29.6434 -39.9273 2.47208 -43.1904 29.6434 -43.1904 -2.52889 GPRESSAVG: 767800 11.9036 -41.2534 29.1965 -38.7904 1.31944 -43.622 27.8979 -41.2131 -2.02189 TIMING: 767800 CPU: 2287.98, 0.00296327/step Wall: 2287.98, 0.00296327/step, 3.48365 hours remaining, 206.808594 MB of memory in use. ENERGY: 767800 747.2494 2117.1722 1927.3682 116.1289 -205885.2138 17630.8403 0.0000 0.0000 34128.5537 -149217.9011 298.0531 -183346.4548 -149122.5440 298.7909 -206.7439 -178.6266 558601.4579 3.6688 3.7337 PRESSURE: 768000 14.4868 66.5581 -91.102 66.5569 158.394 134.864 -91.1019 134.865 49.3697 GPRESSURE: 768000 41.1617 135.68 -124.186 182.125 200.578 93.8935 -67.3649 113.228 88.2954 PRESSAVG: 768000 40.0061 -5.84476 26.4416 -5.84468 15.6571 0.918697 26.4415 0.918714 -33.4796 GPRESSAVG: 768000 38.2913 -5.94625 29.1799 -5.84293 17.5826 -0.0318049 29.183 1.38657 -34.3316 TIMING: 768000 CPU: 2288.58, 0.00298851/step Wall: 2288.58, 0.00298851/step, 3.51316 hours remaining, 206.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 768000 724.0448 2110.4011 1944.9605 120.7710 -206227.0522 17892.1516 0.0000 0.0000 34363.9175 -149070.8057 300.1086 -183434.7233 -148973.7469 298.9445 74.0834 110.0117 557204.7237 7.3945 7.1808 PRESSURE: 768200 -33.1058 -69.4998 -32.881 -69.5002 -210.803 181.572 -32.8814 181.573 -143.818 GPRESSURE: 768200 6.25083 -45.2185 -22.0069 32.4789 -199.937 128.342 -36.0109 149.232 -85.9308 PRESSAVG: 768200 -25.7983 -14.8506 39.4077 -14.8505 26.5999 44.0756 39.4077 44.0756 2.87204 GPRESSAVG: 768200 -26.0554 -14.5987 37.2997 -14.5702 25.5447 44.2034 38.7647 45.4917 3.95158 TIMING: 768200 CPU: 2289.17, 0.00299531/step Wall: 2289.17, 0.00299531/step, 3.52098 hours remaining, 206.808594 MB of memory in use. ENERGY: 768200 759.9075 2069.5127 1933.1409 101.9033 -206053.5055 17846.8111 0.0000 0.0000 34556.8783 -148785.3516 301.7938 -183342.2299 -148682.0928 300.2300 -129.2423 -93.2056 558981.0800 1.2246 1.1470 LDB: ============= START OF LOAD BALANCING ============== 2292.72 LDB: ============== END OF LOAD BALANCING =============== 2292.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2292.72 LDB: ============= START OF LOAD BALANCING ============== 2293.02 LDB: Largest compute 4774 load 0.029217 is 24.7% of average load 0.118148 LDB: Average compute 0.001732 is 1.5% of average load 0.118148 LDB: TIME 2293.03 LOAD: AVG 0.118148 MAX 0.207068 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.297 MB LDB: TIME 2293.03 LOAD: AVG 0.118148 MAX 0.207068 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.301 MB LDB: TIME 2293.03 LOAD: AVG 0.118148 MAX 0.207068 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2293.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2293.03 PRESSURE: 768400 -221.806 24.3972 134.574 24.3958 65.4284 98.5325 134.572 98.534 -58.1101 GPRESSURE: 768400 -178.771 27.4793 118.469 72.6135 73.6196 64.7696 163.82 62.9869 -6.30548 PRESSAVG: 768400 51.1339 -9.41683 2.96505 -9.41681 -13.2367 38.4059 2.96513 38.4059 -6.68114 GPRESSAVG: 768400 51.8523 -7.40892 5.7951 -10.9649 -13.3576 38.1834 0.7152 36.3472 -7.64632 TIMING: 768400 CPU: 2289.78, 0.00303849/step Wall: 2289.78, 0.00303849/step, 3.57157 hours remaining, 206.296875 MB of memory in use. ENERGY: 768400 718.7509 2050.3608 1940.0101 118.9850 -205370.9404 17502.3997 0.0000 0.0000 34295.0251 -148745.4088 299.5070 -183040.4338 -148648.6673 300.5560 -71.4959 -37.1522 558542.0131 10.4054 10.2828 PRESSURE: 768600 -131.199 16.1179 167.547 16.1174 -32.7184 -80.3789 167.548 -80.3806 -263.842 GPRESSURE: 768600 -121.688 12.1799 145.36 -2.43057 17.2263 -62.4673 262.675 -19.0304 -226.31 PRESSAVG: 768600 -33.9815 -16.9049 44.991 -16.9049 -27.4943 20.529 44.9909 20.5291 37.4635 GPRESSAVG: 768600 -34.2638 -16.4544 45.1374 -17.5439 -28.4978 20.8826 45.7219 20.9401 37.7886 TIMING: 768600 CPU: 2290.38, 0.00298923/step Wall: 2290.38, 0.00298923/step, 3.5135 hours remaining, 206.296875 MB of memory in use. ENERGY: 768600 734.6054 2140.1103 1932.7558 117.4146 -205542.2032 17677.0760 0.0000 0.0000 34340.0845 -148600.1567 299.9005 -182940.2411 -148512.2221 300.5542 -142.5865 -110.2571 560234.8096 -8.0041 -8.3243 PRESSURE: 768800 -228.571 258.251 -37.0274 258.251 288.843 -115.778 -37.0275 -115.778 112.83 GPRESSURE: 768800 -187.492 197.264 -7.83166 227.119 297.29 -109.248 -151.62 -135.32 161.962 PRESSAVG: 768800 -15.8888 2.2562 67.3623 2.25622 -10.994 -2.36597 67.3622 -2.36606 -6.65514 GPRESSAVG: 768800 -15.6689 1.22257 64.7253 3.05719 -11.0568 0.38699 69.5028 -3.10609 -6.89397 TIMING: 768800 CPU: 2290.98, 0.00298486/step Wall: 2290.98, 0.00298486/step, 3.5082 hours remaining, 206.296875 MB of memory in use. ENERGY: 768800 738.2133 2032.7249 1917.4510 101.6189 -205862.0652 17967.4244 0.0000 0.0000 34514.1377 -148590.4949 301.4205 -183104.6326 -148496.6051 300.5327 57.7005 90.5869 559079.4425 -11.1793 -11.2065 PRESSURE: 769000 106.308 -64.1042 134.214 -64.1046 254.931 -115.62 134.213 -115.62 -204.154 GPRESSURE: 769000 54.4259 -70.238 67.9803 -120.418 275.289 -92.0215 163.752 -12.7488 -80.6303 PRESSAVG: 769000 -21.5351 20.8022 17.6749 20.8022 73.7068 31.0388 17.675 31.0389 -57.2754 GPRESSAVG: 769000 -21.8559 21.5444 19.0171 19.7773 73.2726 29.1945 16.2978 32.1141 -56.4083 TIMING: 769000 CPU: 2291.58, 0.00299265/step Wall: 2291.58, 0.00299265/step, 3.51719 hours remaining, 206.296875 MB of memory in use. ENERGY: 769000 698.7412 2126.6959 1916.5395 109.1720 -205738.5206 17628.3549 0.0000 0.0000 34557.4122 -148701.6049 301.7985 -183259.0171 -148611.0654 301.2699 52.3616 83.0283 559089.0261 -1.7012 -1.6639 PRESSURE: 769200 -24.7594 -103.751 46.0007 -103.75 -67.8047 28.0635 46.001 28.0638 -190.891 GPRESSURE: 769200 4.18658 -58.6755 53.2481 -161.318 -46.7303 -6.79968 73.0794 23.703 -135.725 PRESSAVG: 769200 56.8267 15.9692 27.0982 15.9692 60.5588 -23.3824 27.0982 -23.3823 -74.0112 GPRESSAVG: 769200 56.7007 14.8058 28.248 17.7375 60.9226 -22.0413 25.8703 -23.9098 -73.9804 TIMING: 769200 CPU: 2292.17, 0.00298239/step Wall: 2292.17, 0.00298239/step, 3.50497 hours remaining, 206.296875 MB of memory in use. ENERGY: 769200 784.5940 2162.8135 1915.9930 120.8718 -206016.5646 17912.4397 0.0000 0.0000 34188.8713 -148930.9812 298.5799 -183119.8525 -148844.6602 300.4739 -94.4850 -59.4230 559134.6315 14.4581 14.5476 PRESSURE: 769400 17.1389 -23.1682 16.5692 -23.1683 -131.727 -208.269 16.57 -208.269 -2.7571 GPRESSURE: 769400 68.9218 -48.7833 -21.8618 -42.6078 -86.557 -193.61 67.461 -199.547 -10.4976 PRESSAVG: 769400 8.50018 25.9011 19.6518 25.9011 30.4688 -34.9365 19.6518 -34.9365 -35.3099 GPRESSAVG: 769400 8.14632 26.4864 18.4083 24.8184 31.2556 -35.5513 21.8114 -35.6251 -35.3886 TIMING: 769400 CPU: 2292.77, 0.00297778/step Wall: 2292.77, 0.00297778/step, 3.49939 hours remaining, 206.296875 MB of memory in use. ENERGY: 769400 713.7087 2039.0457 1956.0862 122.0005 -205957.6880 17750.9769 0.0000 0.0000 34462.8596 -148913.0104 300.9727 -183375.8700 -148814.5838 300.2147 -39.1151 -9.3776 557184.4802 1.2197 1.3378 PRESSURE: 769600 11.5115 74.1037 -32.8801 74.1031 256.954 -23.3915 -32.8807 -23.3905 -41.0566 GPRESSURE: 769600 21.1293 36.0165 -52.5159 67.5552 260.855 -77.0881 -41.9541 49.2963 46.2952 PRESSAVG: 769600 4.32868 -11.5865 26.2696 -11.5866 26.9431 -42.755 26.2696 -42.7551 -33.8038 GPRESSAVG: 769600 3.85009 -10.7968 26.2758 -11.7446 27.8667 -43.5427 23.676 -41.6124 -34.5581 TIMING: 769600 CPU: 2293.37, 0.003004/step Wall: 2293.37, 0.003004/step, 3.53004 hours remaining, 206.296875 MB of memory in use. ENERGY: 769600 731.3514 2092.3152 1924.3911 104.3441 -206511.0277 18094.3117 0.0000 0.0000 34578.0500 -148986.2641 301.9787 -183564.3141 -148890.2986 300.3729 75.8029 109.4264 558334.9153 -0.8440 -0.9471 PRESSURE: 769800 -72.1445 169.81 117.056 169.81 97.9631 -103.822 117.054 -103.822 217.13 GPRESSURE: 769800 -58.7187 166.561 129.299 182.731 183.251 -100.525 37.4364 -101.767 219.062 PRESSAVG: 769800 48.2397 4.21128 -21.8295 4.21113 18.911 -6.10036 -21.8295 -6.1003 -56.6971 GPRESSAVG: 769800 49.3749 4.32953 -21.5851 5.77838 18.3782 -3.90584 -19.8851 -6.85884 -57.0458 TIMING: 769800 CPU: 2293.97, 0.00299404/step Wall: 2293.97, 0.00299404/step, 3.51817 hours remaining, 206.296875 MB of memory in use. ENERGY: 769800 738.4626 2081.0790 1932.7780 99.2446 -206266.6189 17967.0497 0.0000 0.0000 34272.1106 -149175.8944 299.3069 -183448.0050 -149077.8060 300.0795 80.9828 114.5316 557123.2416 3.4845 3.5691 PRESSURE: 770000 -215.099 -34.2668 35.111 -34.2665 -77.1334 -56.1819 35.1112 -56.1812 -34.3014 GPRESSURE: 770000 -164.242 -67.4105 57.6041 -20.4773 -12.7864 -64.2543 21.9516 21.5912 -64.5629 PRESSAVG: 770000 1.50089 -2.11632 29.9573 -2.11646 31.043 -14.6461 29.9573 -14.6461 6.65165 GPRESSAVG: 770000 1.71744 -4.43044 29.6999 -3.9496 30.7775 -15.5448 29.8981 -15.4764 7.02828 TIMING: 770000 CPU: 2294.56, 0.00298494/step Wall: 2294.56, 0.00298494/step, 3.50731 hours remaining, 206.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 770000 759.6477 2113.8240 1920.8502 115.1448 -206249.2009 17948.2170 0.0000 0.0000 34143.4545 -149248.0626 298.1833 -183391.5171 -149152.2557 299.5103 -108.8446 -80.5305 558958.6860 13.0652 13.1744 PRESSURE: 770200 -28.6926 -194.919 -104.762 -194.919 -255.454 0.266674 -104.762 0.267406 -314.093 GPRESSURE: 770200 -17.6589 -262.66 -15.6488 -124.755 -221.836 -11.0789 -161.048 -11.1406 -270.995 PRESSAVG: 770200 56.4195 11.8116 79.3972 11.8116 -16.1317 20.5227 79.397 20.5227 -71.1556 GPRESSAVG: 770200 56.1574 13.0596 78.9894 11.05 -16.1209 18.554 79.4971 22.932 -71.6439 TIMING: 770200 CPU: 2295.16, 0.00298228/step Wall: 2295.16, 0.00298228/step, 3.50402 hours remaining, 206.296875 MB of memory in use. ENERGY: 770200 710.9185 2018.6399 1947.0301 117.9035 -205775.0970 17417.9183 0.0000 0.0000 34258.1108 -149304.5761 299.1846 -183562.6869 -149210.0213 299.2257 -199.4133 -170.1633 558091.2322 -10.2893 -10.5358 PRESSURE: 770400 -23.9743 -98.2638 -72.6435 -98.2646 -254.882 40.1861 -72.6437 40.186 -158.898 GPRESSURE: 770400 -21.2458 -32.1587 -89.6131 -76.9981 -224.068 115.998 -88.0087 -35.2464 -88.0075 PRESSAVG: 770400 38.5571 -11.0809 50.7285 -11.0809 28.4 -7.15105 50.7285 -7.1511 -40.7751 GPRESSAVG: 770400 38.9393 -11.9443 51.3221 -8.43689 27.7327 -7.75239 50.2732 -7.7899 -40.6058 TIMING: 770400 CPU: 2295.75, 0.00297031/step Wall: 2295.75, 0.00297031/step, 3.48979 hours remaining, 206.296875 MB of memory in use. ENERGY: 770400 745.5821 2044.8451 1929.5849 116.8443 -206149.0346 17786.5610 0.0000 0.0000 34113.6638 -149411.9536 297.9231 -183525.6174 -149308.6390 298.9512 -145.9182 -111.1071 556438.4481 8.7273 8.6888 PRESSURE: 770600 93.9047 -238.756 -121.501 -238.757 -264.644 -62.4991 -121.501 -62.4973 -206.59 GPRESSURE: 770600 122.846 -210.959 -83.3798 -173.662 -233.219 -136.156 -150.172 -127.426 -170.941 PRESSAVG: 770600 7.6189 -18.4827 22.5263 -18.4827 48.1114 -50.7413 22.5263 -50.7412 -27.2166 GPRESSAVG: 770600 6.74824 -18.0168 23.8925 -19.1006 48.2485 -49.8244 21.2587 -52.1253 -26.5736 TIMING: 770600 CPU: 2296.35, 0.00296088/step Wall: 2296.35, 0.00296088/step, 3.47854 hours remaining, 206.296875 MB of memory in use. ENERGY: 770600 764.8421 2047.4765 1924.1024 109.8064 -206291.2554 17861.0953 0.0000 0.0000 34328.9148 -149255.0179 299.8030 -183583.9327 -149160.5510 299.6126 -125.7764 -93.7717 557633.6700 9.5046 9.4744 PRESSURE: 770800 55.2789 -59.2723 10.5558 -59.2717 99.5797 -101.149 10.5558 -101.148 -123.979 GPRESSURE: 770800 38.3294 -27.2792 -1.13727 -143.644 141.876 -164.118 63.7188 -14.3981 -54.6455 PRESSAVG: 770800 34.7387 -30.1234 -31.1323 -30.1235 -11.3608 12.3941 -31.1323 12.394 -80.4486 GPRESSAVG: 770800 35.346 -30.6655 -33.0441 -28.6258 -11.392 14.0851 -29.8119 13.8458 -81.5302 TIMING: 770800 CPU: 2296.94, 0.0029536/step Wall: 2296.94, 0.0029536/step, 3.46982 hours remaining, 206.296875 MB of memory in use. ENERGY: 770800 751.9312 2113.0301 1944.9826 103.5215 -206546.8680 18069.6407 0.0000 0.0000 34335.2118 -149228.5500 299.8579 -183563.7618 -149129.0614 299.0916 10.2931 41.8532 557330.1566 -19.0236 -19.1920 PRESSURE: 771000 -195.537 8.67903 -0.226814 8.67943 -165.185 81.6079 -0.225985 81.6065 -341.371 GPRESSURE: 771000 -169.529 -0.651266 20.1326 61.3307 -123.148 102.032 -76.1631 -52.8746 -315.101 PRESSAVG: 771000 -63.9111 -2.64132 8.98592 -2.64115 42.2746 -21.6472 8.98594 -21.6471 65.206 GPRESSAVG: 771000 -62.6475 -1.18988 9.47853 -3.00139 41.4924 -21.5876 9.83402 -23.1699 64.8316 TIMING: 771000 CPU: 2297.53, 0.00295567/step Wall: 2297.53, 0.00295567/step, 3.47209 hours remaining, 206.296875 MB of memory in use. ENERGY: 771000 799.0648 2061.4151 1917.9835 106.1556 -205885.7551 17663.1583 0.0000 0.0000 34398.7520 -148939.2258 300.4129 -183337.9778 -148845.1969 299.9220 -234.0308 -202.5928 558644.1830 14.5232 14.5588 PRESSURE: 771200 -48.1411 -60.0089 -9.4299 -60.0097 163.681 -135.515 -9.43132 -135.516 108.197 GPRESSURE: 771200 -4.70452 -30.8191 81.3646 -99.703 175.313 -111.762 -1.08596 -188.93 153.978 PRESSAVG: 771200 5.90564 34.642 16.1257 34.642 28.0257 -18.611 16.1257 -18.611 -26.1126 GPRESSAVG: 771200 5.54091 35.4502 16.7936 33.0208 28.2385 -21.1259 15.7048 -15.7054 -26.0825 TIMING: 771200 CPU: 2298.12, 0.00295734/step Wall: 2298.12, 0.00295734/step, 3.47389 hours remaining, 206.296875 MB of memory in use. ENERGY: 771200 714.7458 2127.4880 1934.6086 114.1609 -206079.4568 17878.8830 0.0000 0.0000 34381.2751 -148928.2955 300.2602 -183309.5706 -148828.2887 299.8834 74.5789 108.1955 559007.2860 2.6062 2.5656 PRESSURE: 771400 -155.709 9.90416 -102.706 9.90485 -110.904 -37.2064 -102.706 -37.2067 -83.8358 GPRESSURE: 771400 -162.538 25.2332 -31.2881 -36.798 -62.6886 -25.4265 -128.624 -6.39492 -26.3377 PRESSAVG: 771400 -39.7711 11.8446 -30.3123 11.8445 -23.0054 20.5631 -30.3123 20.563 20.8041 GPRESSAVG: 771400 -38.8291 11.415 -31.1719 12.8994 -22.3912 21.0797 -30.2425 19.3699 19.8398 TIMING: 771400 CPU: 2298.71, 0.00297104/step Wall: 2298.71, 0.00297104/step, 3.48981 hours remaining, 206.296875 MB of memory in use. ENERGY: 771400 784.3127 2072.9002 1915.1507 124.8148 -206191.2021 17899.2172 0.0000 0.0000 34418.3698 -148976.4367 300.5842 -183394.8064 -148877.6387 300.2920 -116.8160 -83.8546 558622.1490 -13.9908 -13.7935 PRESSURE: 771600 -59.9731 30.9638 49.9374 30.9622 -111.008 -89.3711 49.9375 -89.3708 -113.456 GPRESSURE: 771600 3.14567 65.0786 147.277 -16.2585 -127.577 -83.6914 -13.9113 -60.6294 -66.0587 PRESSAVG: 771600 -9.43905 1.17608 -28.5792 1.17606 -3.79829 16.7548 -28.5791 16.7547 12.2273 GPRESSAVG: 771600 -10.0284 -0.291195 -27.169 0.755462 -5.41013 16.6914 -28.3473 17.2859 13.8174 TIMING: 771600 CPU: 2299.31, 0.00299175/step Wall: 2299.31, 0.00299175/step, 3.51398 hours remaining, 206.296875 MB of memory in use. ENERGY: 771600 761.8449 2122.5585 1939.3532 115.0877 -205781.3476 17600.9820 0.0000 0.0000 34287.9043 -148953.6170 299.4448 -183241.5213 -148857.7574 300.0011 -94.8121 -63.4967 559070.4062 -0.3367 -0.5404 PRESSURE: 771800 196.052 -77.944 50.252 -77.9447 -74.8229 -34.0772 50.2523 -34.0772 -135.951 GPRESSURE: 771800 233.04 -23.3473 -44.9933 -146.121 -48.5541 -4.79012 70.8928 -36.4443 -112.425 PRESSAVG: 771800 -0.336776 -32.8456 -25.4381 -32.8456 53.0631 27.0625 -25.4381 27.0624 1.46203 GPRESSAVG: 771800 -1.222 -33.2788 -27.0421 -33.0015 53.5686 27.2908 -24.6635 27.0273 0.7476 TIMING: 771800 CPU: 2299.91, 0.00299405/step Wall: 2299.91, 0.00299405/step, 3.51651 hours remaining, 206.296875 MB of memory in use. ENERGY: 771800 726.7319 2072.4984 1952.0037 114.3321 -205840.7269 17685.3773 0.0000 0.0000 34258.2987 -149031.4847 299.1862 -183289.7834 -148929.2692 300.0499 -4.9071 24.0203 558197.6875 18.0628 17.6981 PRESSURE: 772000 -115.976 81.49 -34.4492 81.4897 104.095 84.7657 -34.4487 84.7676 -239.413 GPRESSURE: 772000 -105.637 108.618 73.476 58.5623 168.621 -19.262 -45.8066 153.241 -211.184 PRESSAVG: 772000 -80.8513 15.0825 24.0296 15.0825 4.57489 -6.55744 24.0297 -6.55742 48.0339 GPRESSAVG: 772000 -79.9118 14.6217 25.5623 15.9078 5.44666 -5.10515 22.1528 -7.17931 46.4203 TIMING: 772000 CPU: 2300.51, 0.00298486/step Wall: 2300.51, 0.00298486/step, 3.50555 hours remaining, 206.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 772000 751.8889 2141.1370 1918.0434 121.0138 -206071.4386 17746.7089 0.0000 0.0000 34151.9139 -149240.7327 298.2572 -183392.6465 -149142.2623 299.9273 -83.7649 -49.3997 559735.0538 -9.4142 -9.3483 PRESSURE: 772200 -5.60672 -75.2164 22.7887 -75.2156 222.3 -27.1295 22.7884 -27.1301 192.471 GPRESSURE: 772200 -6.32292 -17.7716 42.4731 -43.681 307.934 -25.7362 1.13873 32.21 212.737 PRESSAVG: 772200 16.124 -27.5769 -17.7358 -27.577 0.0504213 14.6681 -17.7358 14.668 -42.1381 GPRESSAVG: 772200 15.2243 -25.2914 -17.8711 -27.0866 -0.0218088 14.5039 -16.436 13.2512 -40.1616 TIMING: 772200 CPU: 2301.11, 0.00298468/step Wall: 2301.11, 0.00298468/step, 3.50518 hours remaining, 206.296875 MB of memory in use. ENERGY: 772200 728.0811 2053.9455 1960.3608 128.8536 -206284.2008 18002.0625 0.0000 0.0000 34181.6147 -149229.2826 298.5165 -183410.8973 -149127.9655 298.6464 136.3883 171.4496 557868.3849 -8.6546 -8.3197 LDB: ============= START OF LOAD BALANCING ============== 2304.65 LDB: ============== END OF LOAD BALANCING =============== 2304.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2304.66 LDB: ============= START OF LOAD BALANCING ============== 2304.95 LDB: Largest compute 4796 load 0.029561 is 25.0% of average load 0.118209 LDB: Average compute 0.001727 is 1.5% of average load 0.118209 LDB: TIME 2304.96 LOAD: AVG 0.118209 MAX 0.205824 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.84 MB LDB: TIME 2304.96 LOAD: AVG 0.118209 MAX 0.205824 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.844 MB LDB: TIME 2304.96 LOAD: AVG 0.118209 MAX 0.205824 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.844 MB LDB: ============== END OF LOAD BALANCING =============== 2304.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2304.96 PRESSURE: 772400 -89.782 88.7805 207.601 88.7797 -52.0315 -77.7836 207.6 -77.7838 -10.1613 GPRESSURE: 772400 -39.9164 123.249 202.286 49.3457 0.15471 -135.796 180.169 -40.9392 -3.17071 PRESSAVG: 772400 28.6232 -24.7919 -71.5428 -24.7918 -14.8285 52.6249 -71.5429 52.6249 -13.9985 GPRESSAVG: 772400 29.1277 -25.0828 -72.1593 -25.2578 -14.1106 52.3604 -71.7489 52.2661 -14.8747 TIMING: 772400 CPU: 2301.71, 0.0030394/step Wall: 2301.71, 0.0030394/step, 3.56927 hours remaining, 206.808594 MB of memory in use. ENERGY: 772400 733.4883 2088.8842 1946.5776 114.1590 -206072.4881 17725.6952 0.0000 0.0000 34272.9251 -149190.7586 299.3140 -183463.6837 -149090.7678 299.0120 -50.6583 -14.3108 557976.5843 -0.0679 0.0475 PRESSURE: 772600 95.9404 -185.087 221.148 -185.087 180.281 -36.1214 221.148 -36.1228 98.6885 GPRESSURE: 772600 69.2686 -185.193 241.461 -146.988 235.277 -79.5312 247.285 -123.316 168.062 PRESSAVG: 772600 -10.604 -32.0852 6.72929 -32.0852 56.3964 -7.62316 6.72925 -7.6232 -3.7479 GPRESSAVG: 772600 -12.017 -33.2255 5.76083 -32.4733 54.9285 -7.75177 7.82798 -6.78902 -1.19014 TIMING: 772600 CPU: 2302.31, 0.00298479/step Wall: 2302.31, 0.00298479/step, 3.50498 hours remaining, 207.007812 MB of memory in use. ENERGY: 772600 751.6478 2084.2191 1926.0859 120.9103 -206324.0990 17926.0188 0.0000 0.0000 34332.8146 -149182.4026 299.8370 -183515.2172 -149077.5204 299.5297 124.9700 157.5357 558790.5123 14.0148 13.9071 PRESSURE: 772800 -285.852 -0.961578 -18.1661 -0.962311 -176.872 -143.095 -18.167 -143.094 4.58527 GPRESSURE: 772800 -200.483 135.76 -10.0023 6.97698 -163.797 -160.026 -61.2043 -66.6159 -8.77785 PRESSAVG: 772800 -39.1447 -5.40711 24.6473 -5.40716 31.3853 4.22781 24.6473 4.22778 -0.291069 GPRESSAVG: 772800 -37.7983 -5.64174 25.7551 -4.52434 32.1953 4.58842 25.1764 5.34127 -2.65333 TIMING: 772800 CPU: 2302.91, 0.00298852/step Wall: 2302.91, 0.00298852/step, 3.50919 hours remaining, 207.007812 MB of memory in use. ENERGY: 772800 736.8303 2048.3161 1965.1783 105.4209 -205462.4788 17501.5365 0.0000 0.0000 34177.5504 -148927.6463 298.4810 -183105.1967 -148832.6624 299.1446 -152.7132 -124.3526 559616.1110 -2.6835 -2.7521 PRESSURE: 773000 -165.987 -66.1177 13.9605 -66.1188 144.909 15.7757 13.9611 15.775 277.445 GPRESSURE: 773000 -57.7333 5.23191 -2.15755 -87.3661 147.668 128.548 -89.8771 53.5087 270.105 PRESSAVG: 773000 -47.8682 18.9116 -27.4661 18.9116 29.3899 -56.0441 -27.4662 -56.0442 -33.9575 GPRESSAVG: 773000 -47.7224 22.331 -28.0047 16.1671 28.8224 -55.3157 -28.7457 -56.1863 -33.482 TIMING: 773000 CPU: 2303.5, 0.00298376/step Wall: 2303.5, 0.00298376/step, 3.50343 hours remaining, 207.007812 MB of memory in use. ENERGY: 773000 761.5790 2051.2462 1945.0385 114.9362 -206032.7747 17751.0510 0.0000 0.0000 34454.5499 -148954.3738 300.9002 -183408.9238 -148859.4237 299.8517 85.4554 120.0131 556443.3315 -17.4786 -17.4607 PRESSURE: 773200 -253.092 -76.8135 -11.5626 -76.8149 -113.206 -23.4392 -11.5627 -23.4399 -178.821 GPRESSURE: 773200 -259.76 15.6631 -122.226 -112.452 -19.6941 -78.5293 -54.726 -6.70286 -168.887 PRESSAVG: 773200 -21.6968 18.4902 -21.0415 18.4902 17.384 -31.1245 -21.0414 -31.1246 59.4955 GPRESSAVG: 773200 -22.6144 15.7441 -20.8411 21.0642 18.1464 -32.3372 -21.6658 -32.2077 58.6936 TIMING: 773200 CPU: 2304.1, 0.00297777/step Wall: 2304.1, 0.00297777/step, 3.49623 hours remaining, 207.007812 MB of memory in use. ENERGY: 773200 758.0011 2110.1027 1912.9320 103.8339 -205726.9709 17529.8518 0.0000 0.0000 34163.3590 -149148.8904 298.3571 -183312.2494 -149055.0768 299.6087 -181.7061 -149.4470 557942.3586 18.3942 18.0752 PRESSURE: 773400 -71.8728 161.925 -102.673 161.924 -311.413 -52.1233 -102.672 -52.1247 -374.127 GPRESSURE: 773400 -61.5318 189.505 -174.153 117.543 -253.471 -71.2983 -95.3511 -51.5977 -354.279 PRESSAVG: 773400 -61.4996 -7.87626 -40.4081 -7.87626 94.114 -9.72725 -40.4081 -9.72733 -51.6255 GPRESSAVG: 773400 -62.3466 -8.38902 -39.9179 -7.66264 93.6304 -10.062 -40.1996 -8.63656 -50.8013 TIMING: 773400 CPU: 2304.69, 0.00296927/step Wall: 2304.69, 0.00296927/step, 3.48609 hours remaining, 207.007812 MB of memory in use. ENERGY: 773400 746.9465 2077.0692 1942.6548 121.4106 -205421.2413 17189.1741 0.0000 0.0000 34379.9077 -148964.0784 300.2483 -183343.9861 -148864.1052 299.6942 -252.4707 -223.0940 557868.6899 -6.3370 -6.5059 PRESSURE: 773600 112.213 162.572 -65.0036 162.572 192.75 -201.012 -65.0031 -201.012 -332.147 GPRESSURE: 773600 58.9132 56.7991 -73.2518 263.197 226.41 -285.201 -49.6942 -153.578 -224.344 PRESSAVG: 773600 3.28777 43.516 -9.29403 43.516 48.4006 -40.6827 -9.29407 -40.6826 -28.3185 GPRESSAVG: 773600 3.48899 42.1695 -8.90777 43.1949 48.1085 -40.2772 -7.62046 -40.7759 -28.3211 TIMING: 773600 CPU: 2305.28, 0.00295376/step Wall: 2305.28, 0.00295376/step, 3.46772 hours remaining, 207.007812 MB of memory in use. ENERGY: 773600 745.6149 2101.3553 1923.7959 108.6960 -205958.0186 17785.2107 0.0000 0.0000 34197.4527 -149095.8932 298.6549 -183293.3459 -149003.4712 299.6602 -9.0612 20.3264 556951.6352 7.7900 7.7588 PRESSURE: 773800 -8.3963 -81.1032 -50.72 -81.1028 61.3739 -29.2817 -50.7195 -29.2827 50.1598 GPRESSURE: 773800 1.39064 -75.1157 -48.589 -14.6706 139.324 -79.0198 -18.5729 -57.3351 71.124 PRESSAVG: 773800 -43.9039 -0.639769 7.09722 -0.63975 26.6432 -19.0653 7.09726 -19.0654 -3.43887 GPRESSAVG: 773800 -44.1462 1.9959 4.75438 -0.98744 26.7332 -19.4454 6.00367 -20.4737 -3.28767 TIMING: 773800 CPU: 2305.88, 0.00295207/step Wall: 2305.88, 0.00295207/step, 3.46557 hours remaining, 207.007812 MB of memory in use. ENERGY: 773800 756.3649 2127.9456 1924.8758 122.6782 -206120.6397 17729.6755 0.0000 0.0000 34335.3361 -149123.7636 299.8590 -183459.0997 -149024.1937 299.1437 34.3791 70.6128 556065.8861 -6.8998 -6.9002 PRESSURE: 774000 154.733 -12.5331 170.98 -12.5331 107.678 -22.7827 170.98 -22.7836 -206.958 GPRESSURE: 774000 267.277 -23.7544 120.526 18.7477 77.3919 54.2427 218.963 -20.1297 -208.236 PRESSAVG: 774000 -25.5059 -26.7097 41.8664 -26.7099 -24.7895 -44.1306 41.8663 -44.1306 68.7493 GPRESSAVG: 774000 -24.381 -25.1446 44.5885 -27.1118 -25.1737 -41.6077 41.2146 -44.2878 68.1472 TIMING: 774000 CPU: 2306.47, 0.00297303/step Wall: 2306.47, 0.00297303/step, 3.49001 hours remaining, 207.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 774000 735.1024 2109.2757 1957.5331 118.5364 -206297.0802 17729.7737 0.0000 0.0000 34485.9457 -149160.9132 301.1743 -183646.8589 -149059.3760 299.3060 18.4845 45.4775 555979.9624 6.1513 6.1975 PRESSURE: 774200 110.977 57.7249 -3.14408 57.7248 -157.24 -70.7466 -3.14355 -70.7467 -75.2546 GPRESSURE: 774200 113.233 129 -17.1059 6.29532 -124.184 7.53708 -15.5235 -163.624 -9.71269 PRESSAVG: 774200 49.6765 -0.650343 -2.22708 -0.650428 6.92476 -1.91905 -2.22707 -1.91919 -25.9834 GPRESSAVG: 774200 48.6516 -3.35083 -4.45547 -1.54908 8.20347 -3.39717 -1.56771 -0.644889 -25.0241 TIMING: 774200 CPU: 2307.07, 0.0029891/step Wall: 2307.07, 0.0029891/step, 3.50871 hours remaining, 207.007812 MB of memory in use. ENERGY: 774200 744.2629 2106.5629 1940.0678 111.9444 -206029.1108 17655.3023 0.0000 0.0000 34234.8109 -149236.1596 298.9811 -183470.9705 -149147.6430 299.3161 -40.5057 -6.8879 556015.9346 10.2059 10.6103 PRESSURE: 774400 -272.186 60.7169 8.55273 60.7177 -169.958 9.2138 8.55227 9.21297 111.362 GPRESSURE: 774400 -282.198 75.1099 31.6879 42.7094 -183.211 -42.1597 48.4983 77.8751 233.589 PRESSAVG: 774400 68.6758 40.0229 -9.02687 40.0229 -16.0159 -12.0578 -9.02695 -12.0579 -36.8854 GPRESSAVG: 774400 68.1538 39.971 -6.45349 42.1679 -16.3972 -11.6476 -10.5667 -12.7003 -35.5034 TIMING: 774400 CPU: 2307.66, 0.00297443/step Wall: 2307.66, 0.00297443/step, 3.49132 hours remaining, 207.007812 MB of memory in use. ENERGY: 774400 780.1098 2101.1743 1940.8633 111.3263 -206067.4426 17478.0523 0.0000 0.0000 34348.1695 -149307.7470 299.9711 -183655.9166 -149212.3422 299.3753 -110.2608 -77.2730 557402.4691 5.2582 5.4177 PRESSURE: 774600 -120.259 -38.9724 -88.8414 -38.9703 -136.332 -23.0458 -88.8412 -23.0438 124.522 GPRESSURE: 774600 -57.9987 -4.90977 -78.2256 -152.119 -118.735 -14.9122 -174.888 -71.9475 149.878 PRESSAVG: 774600 -56.6185 49.0676 -8.53759 49.0676 -5.23088 -16.1951 -8.53753 -16.1949 43.2082 GPRESSAVG: 774600 -55.1813 49.5991 -10.6909 47.1828 -4.9352 -18.4934 -8.00382 -15.9247 41.9293 TIMING: 774600 CPU: 2308.26, 0.00297424/step Wall: 2308.26, 0.00297424/step, 3.49093 hours remaining, 207.007812 MB of memory in use. ENERGY: 774600 791.8595 2055.4646 1951.4359 101.9949 -206033.5598 17659.9190 0.0000 0.0000 34206.7830 -149266.1028 298.7363 -183472.8858 -149174.2308 299.0315 -44.0233 -8.9516 556562.4346 -6.2138 -6.0624 PRESSURE: 774800 -6.59648 -32.4172 8.56302 -32.4172 -127.044 32.7194 8.56055 32.719 -301.92 GPRESSURE: 774800 -15.5244 -16.7446 -34.2923 3.7401 -51.7193 78.5353 7.41577 -15.3327 -280.825 PRESSAVG: 774800 -22.7285 18.6128 24.77 18.6127 43.4875 -18.6489 24.77 -18.6489 -12.2849 GPRESSAVG: 774800 -22.9052 18.9861 25.314 19.7964 43.3241 -15.8066 25.7333 -20.7627 -12.1971 TIMING: 774800 CPU: 2308.85, 0.00298574/step Wall: 2308.85, 0.00298574/step, 3.50426 hours remaining, 207.007812 MB of memory in use. ENERGY: 774800 786.6576 2089.9344 1942.8354 101.2562 -206031.1443 17630.9794 0.0000 0.0000 34283.3501 -149196.1313 299.4050 -183479.4814 -149100.7390 299.7682 -145.1870 -116.0230 556588.5314 2.8247 2.7406 PRESSURE: 775000 -388.896 -29.5119 -80.0827 -29.5118 -138.123 76.6213 -80.0819 76.6194 -40.4327 GPRESSURE: 775000 -329.11 -56.2254 -61.9668 -40.8608 -135.081 112.052 -50.4321 67.2535 0.0984534 PRESSAVG: 775000 -14.2293 -22.2958 7.44911 -22.2958 1.29885 13.8858 7.44922 13.8858 31.6596 GPRESSAVG: 775000 -13.4881 -22.3064 7.07589 -22.4338 1.37555 12.8538 8.06757 15.5987 30.174 TIMING: 775000 CPU: 2309.45, 0.00299674/step Wall: 2309.45, 0.00299674/step, 3.51701 hours remaining, 207.007812 MB of memory in use. ENERGY: 775000 746.7654 2110.2058 1964.5346 113.8191 -205485.6172 17239.0072 0.0000 0.0000 34179.8339 -149131.4511 298.5010 -183311.2850 -149030.7509 299.2949 -189.1505 -154.6975 556170.6063 6.2431 6.0205 PRESSURE: 775200 -13.0034 -132.637 116.774 -132.636 -82.9954 -12.9719 116.774 -12.9713 -137.372 GPRESSURE: 775200 14.4468 -71.9391 46.0419 -102.119 -69.2138 -85.8958 144.638 46.6841 -81.0719 PRESSAVG: 775200 -58.1561 -9.31579 -25.4798 -9.31578 74.3367 4.87384 -25.4798 4.87386 -21.4207 GPRESSAVG: 775200 -59.7409 -9.90297 -25.4649 -7.38939 74.5741 2.84775 -27.0314 5.30113 -19.6469 TIMING: 775200 CPU: 2310.05, 0.00296296/step Wall: 2310.05, 0.00296296/step, 3.4772 hours remaining, 207.007812 MB of memory in use. ENERGY: 775200 712.7170 2029.2293 1949.2394 98.9942 -205586.5255 17351.8241 0.0000 0.0000 34253.8402 -149190.6813 299.1473 -183444.5214 -149088.0292 299.4984 -77.7903 -45.2796 556838.1396 -1.7467 -1.6046 PRESSURE: 775400 101.069 -10.5485 148.083 -10.549 222.834 23.0253 148.083 23.0235 89.6896 GPRESSURE: 775400 168.258 -62.5934 175.226 27.7255 215.048 77.268 234.744 -9.94695 114.892 PRESSAVG: 775400 -38.3468 7.5666 -48.3047 7.56666 49.2019 2.48885 -48.3047 2.48883 -9.40025 GPRESSAVG: 775400 -39.0014 6.19262 -47.9923 5.80337 49.1346 3.832 -47.5056 2.65066 -9.24943 TIMING: 775400 CPU: 2310.64, 0.00295591/step Wall: 2310.64, 0.00295591/step, 3.46876 hours remaining, 207.007812 MB of memory in use. ENERGY: 775400 753.9679 2001.7303 1941.8708 97.9941 -206516.6522 18130.8675 0.0000 0.0000 34226.7182 -149363.5034 298.9104 -183590.2216 -149267.7078 298.9854 137.8645 166.0659 556109.8679 0.4850 0.2946 PRESSURE: 775600 -400.984 4.85849 23.0889 4.859 -191.146 -163.706 23.0892 -163.704 -47.2994 GPRESSURE: 775600 -382.016 71.581 101.359 -18.6056 -145.09 -221.328 35.6908 -190.925 -29.2632 PRESSAVG: 775600 -79.4994 47.4835 53.0468 47.4834 48.486 9.24313 53.0468 9.24301 49.7912 GPRESSAVG: 775600 -78.3702 50.6796 52.4781 45.7171 48.6774 8.13389 53.5165 9.26791 48.4534 TIMING: 775600 CPU: 2311.24, 0.00300495/step Wall: 2311.24, 0.00300495/step, 3.52614 hours remaining, 207.007812 MB of memory in use. ENERGY: 775600 747.6063 2137.7935 1947.2332 122.0786 -205885.1640 17422.9585 0.0000 0.0000 34090.3920 -149417.1019 297.7199 -183507.4938 -149321.8396 298.0988 -213.1432 -185.4562 558384.0089 6.2592 6.2535 PRESSURE: 775800 -450.75 130.445 124.464 130.447 85.853 87.9732 124.465 87.9743 -174.189 GPRESSURE: 775800 -420.548 112.397 122.448 138.222 95.2937 160.104 151.096 -29.2127 -107.17 PRESSAVG: 775800 -38.5328 1.26737 28.8025 1.26733 31.0899 40.6261 28.8024 40.6261 2.76702 GPRESSAVG: 775800 -39.9309 0.831954 30.1176 4.56735 30.8371 39.9782 28.1336 40.0894 4.74897 TIMING: 775800 CPU: 2311.83, 0.00298047/step Wall: 2311.83, 0.00298047/step, 3.49725 hours remaining, 207.007812 MB of memory in use. ENERGY: 775800 752.1926 2120.1335 1922.2223 102.0772 -206223.4787 17566.7927 0.0000 0.0000 34381.2544 -149378.8061 300.2600 -183760.0605 -149276.5239 299.1161 -179.6955 -144.1417 558487.7749 -1.5586 -1.4483 PRESSURE: 776000 -85.2657 29.4244 -24.9252 29.423 -75.4888 12.0279 -24.9247 12.027 -17.1899 GPRESSURE: 776000 -39.6469 46.8235 15.7652 27.2364 -85.756 -17.3864 -11.7029 91.9217 37.0212 PRESSAVG: 776000 -43.978 -29.6826 3.57843 -29.6826 84.1291 19.3907 3.57844 19.3908 15.8193 GPRESSAVG: 776000 -43.5629 -29.0933 2.09759 -31.7083 83.3806 19.9761 4.47466 18.882 15.7314 TIMING: 776000 CPU: 2312.43, 0.00297044/step Wall: 2312.43, 0.00297044/step, 3.48531 hours remaining, 207.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 776000 765.8891 2093.7473 1944.6932 123.9231 -206136.1481 17775.6584 0.0000 0.0000 34225.8656 -149206.3713 298.9030 -183432.2369 -149104.8659 299.5549 -59.3148 -29.4606 559123.6186 18.6568 18.5164 PRESSURE: 776200 -187.877 38.9116 10.8206 38.9118 16.325 52.4598 10.8201 52.4576 -267.055 GPRESSURE: 776200 -157.386 102.487 63.8594 -56.2312 -3.95191 58.1928 -38.5886 38.5806 -172.838 PRESSAVG: 776200 -42.1824 -4.02524 3.77049 -4.02528 29.4875 29.6442 3.77053 29.6442 45.9898 GPRESSAVG: 776200 -41.5154 -5.0487 4.94653 -3.98719 30.181 31.0442 3.48413 31.0366 45.2461 TIMING: 776200 CPU: 2313.02, 0.00296844/step Wall: 2313.02, 0.00296844/step, 3.4828 hours remaining, 207.007812 MB of memory in use. ENERGY: 776200 728.0533 2118.4673 1921.6084 117.6523 -205921.2369 17759.8761 0.0000 0.0000 34043.1570 -149232.4225 297.3074 -183275.5795 -149129.7016 298.7675 -146.2026 -111.3920 560292.8244 11.0983 11.3039 LDB: ============= START OF LOAD BALANCING ============== 2316.57 LDB: ============== END OF LOAD BALANCING =============== 2316.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2316.57 LDB: ============= START OF LOAD BALANCING ============== 2316.87 LDB: Largest compute 4796 load 0.030812 is 26.1% of average load 0.118163 LDB: Average compute 0.001724 is 1.5% of average load 0.118163 LDB: TIME 2316.87 LOAD: AVG 0.118163 MAX 0.21002 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.785 MB LDB: TIME 2316.88 LOAD: AVG 0.118163 MAX 0.21002 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.789 MB LDB: TIME 2316.88 LOAD: AVG 0.118163 MAX 0.21002 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.789 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2316.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2316.88 PRESSURE: 776400 68.0828 -84.5369 -77.1063 -84.5345 137.336 -85.0094 -77.1063 -85.0108 -1.59476 GPRESSURE: 776400 140.915 -90.6417 -77.4348 -115.431 164.655 -85.1251 -38.6051 -152.405 1.29617 PRESSAVG: 776400 -23.8375 -34.0695 -41.6642 -34.0695 48.7793 -4.64606 -41.6643 -4.64605 -3.36649 GPRESSAVG: 776400 -23.2899 -33.2349 -43.4332 -33.8972 49.2666 -4.99093 -42.7255 -6.11612 -3.76132 TIMING: 776400 CPU: 2313.63, 0.00304369/step Wall: 2313.63, 0.00304369/step, 3.57093 hours remaining, 206.296875 MB of memory in use. ENERGY: 776400 736.0584 2109.6212 1943.1520 107.5912 -206753.4320 18194.5193 0.0000 0.0000 34312.5473 -149349.9426 299.6600 -183662.4899 -149252.0953 298.9730 67.9412 102.2890 558661.6552 7.1918 7.4051 PRESSURE: 776600 108.828 22.784 120.553 22.7844 42.3047 127.606 120.554 127.605 -114.755 GPRESSURE: 776600 75.8463 -2.35116 89.5959 60.3847 107.3 141.939 99.2949 71.7599 -66.2922 PRESSAVG: 776600 -5.72126 -20.6922 -24.8606 -20.6921 12.382 -49.291 -24.8605 -49.2909 -18.1036 GPRESSAVG: 776600 -5.98709 -23.2716 -23.2357 -20.4292 11.1233 -47.2261 -25.0106 -50.6587 -16.7391 TIMING: 776600 CPU: 2314.23, 0.00299589/step Wall: 2314.23, 0.00299589/step, 3.51468 hours remaining, 206.296875 MB of memory in use. ENERGY: 776600 752.7308 2061.9863 1912.8584 103.5535 -206301.2569 17992.8731 0.0000 0.0000 34180.1494 -149297.1055 298.5037 -183477.2549 -149209.9290 298.9292 12.1260 38.9514 559595.3190 -3.8143 -3.8676 PRESSURE: 776800 50.8184 -275.979 -4.42122 -275.978 -45.1045 107.229 -4.42094 107.229 -156.441 GPRESSURE: 776800 90.062 -260.915 11.1696 -270.988 -6.33256 45.1198 -56.6521 133.005 -135.095 PRESSAVG: 776800 10.8875 -64.707 6.39063 -64.707 28.1225 9.61994 6.39063 9.61984 -19.2214 GPRESSAVG: 776800 9.35026 -60.9597 4.31021 -65.8069 29.3651 7.20182 6.66968 10.6114 -18.7305 TIMING: 776800 CPU: 2314.83, 0.0030076/step Wall: 2314.83, 0.0030076/step, 3.52825 hours remaining, 206.296875 MB of memory in use. ENERGY: 776800 716.8114 2089.6815 1948.6186 113.4923 -206326.9501 17771.3907 0.0000 0.0000 34200.3829 -149486.5727 298.6805 -183686.9556 -149390.0531 298.7215 -50.2425 -17.1219 557723.2460 6.5962 6.6616 PRESSURE: 777000 -100.47 -51.6763 7.20178 -51.6772 32.1227 -85.4478 7.20022 -85.4489 16.2819 GPRESSURE: 777000 -88.9446 -35.5053 27.0923 -57.5433 84.5016 -89.9791 5.79752 -108.633 55.5724 PRESSAVG: 777000 -7.50528 -8.7517 58.9804 -8.75168 1.59841 16.4144 58.9805 16.4144 -2.83007 GPRESSAVG: 777000 -7.60749 -11.9293 57.8254 -6.19749 0.681919 18.7976 59.6868 16.4464 -1.89177 TIMING: 777000 CPU: 2315.43, 0.0029867/step Wall: 2315.43, 0.0029867/step, 3.50356 hours remaining, 206.296875 MB of memory in use. ENERGY: 777000 769.0503 2099.2099 1951.9279 119.8648 -206318.9929 17799.9082 0.0000 0.0000 34024.5202 -149554.5115 297.1446 -183579.0317 -149457.5670 298.9354 -17.3551 17.0431 557751.6273 -2.9123 -2.9391 PRESSURE: 777200 187.861 -27.7824 -82.8642 -27.7811 20.4281 175.496 -82.863 175.496 170.774 GPRESSURE: 777200 240.089 -74.1476 -116.473 -59.6314 67.2367 156.825 -103.553 172.544 153.456 PRESSAVG: 777200 4.8948 -9.08235 12.1433 -9.08238 17.2816 -28.4778 12.1434 -28.4778 -19.1603 GPRESSAVG: 777200 6.20799 -8.24424 13.5767 -12.5522 18.1316 -29.9151 11.774 -27.3503 -20.6646 TIMING: 777200 CPU: 2316.02, 0.00295213/step Wall: 2316.02, 0.00295213/step, 3.46285 hours remaining, 206.296875 MB of memory in use. ENERGY: 777200 724.3049 2026.2979 1938.7408 113.8836 -206227.4223 17870.5817 0.0000 0.0000 33946.2744 -149607.3389 296.4613 -183553.6133 -149512.6870 297.9805 126.3545 153.5938 556505.7346 1.0054 1.2250 PRESSURE: 777400 134.512 -10.0688 -197.724 -10.0681 278.461 -18.2057 -197.724 -18.206 96.5085 GPRESSURE: 777400 150.225 -77.0162 -149.24 43.0856 327.916 -101.106 -85.9547 -50.7866 125.417 PRESSAVG: 777400 -1.80799 4.10152 16.7421 4.10153 -7.30884 7.59196 16.7421 7.5919 35.9015 GPRESSAVG: 777400 -1.85369 4.63368 15.2955 5.71864 -8.4189 7.56216 18.2561 9.48308 37.2327 TIMING: 777400 CPU: 2316.61, 0.00297338/step Wall: 2316.61, 0.00297338/step, 3.48761 hours remaining, 206.296875 MB of memory in use. ENERGY: 777400 768.2568 2094.8568 1923.7410 115.1610 -206838.6563 18144.3858 0.0000 0.0000 34422.4711 -149369.7837 300.6200 -183792.2549 -149274.2546 298.1125 169.8271 201.1861 557490.3718 8.9282 8.9867 PRESSURE: 777600 -98.0798 -151.741 -54.4484 -151.741 181.268 -79.2836 -54.4485 -79.2829 106.121 GPRESSURE: 777600 -37.1484 -239.49 55.8026 -124.635 192.192 -130.437 -80.1057 12.6822 124.446 PRESSAVG: 777600 34.8981 -46.1266 30.1982 -46.1265 2.99571 56.6242 30.1982 56.6242 -25.9328 GPRESSAVG: 777600 35.313 -46.212 31.9229 -45.5678 2.92529 56.9419 27.86 54.9118 -26.3247 TIMING: 777600 CPU: 2317.21, 0.00297221/step Wall: 2317.21, 0.00297221/step, 3.48608 hours remaining, 206.296875 MB of memory in use. ENERGY: 777600 751.7291 2127.4663 1928.4404 112.8824 -206478.5301 17933.3167 0.0000 0.0000 34229.6715 -149395.0238 298.9362 -183624.6953 -149300.1265 298.7834 63.1031 93.1631 557887.7354 3.9870 3.9712 PRESSURE: 777800 128.668 -31.3514 186.979 -31.3515 -115.811 -5.84952 186.979 -5.84861 209.061 GPRESSURE: 777800 189.634 -76.333 190.402 -91.4199 -43.3262 105.817 212.134 -74.9622 187.008 PRESSAVG: 777800 44.9851 5.24393 -30.1217 5.24399 -14.5215 -1.58888 -30.1218 -1.58888 -49.1981 GPRESSAVG: 777800 43.1815 5.45748 -30.2315 6.60163 -13.7672 -1.4679 -28.959 -2.63399 -48.4985 TIMING: 777800 CPU: 2317.81, 0.0029876/step Wall: 2317.81, 0.0029876/step, 3.50395 hours remaining, 206.296875 MB of memory in use. ENERGY: 777800 717.1375 2074.8877 1918.4650 107.4897 -206342.4545 17913.0806 0.0000 0.0000 34239.7559 -149371.6381 299.0243 -183611.3941 -149275.3555 298.1655 73.9726 111.1055 556088.5337 -6.2448 -6.3614 PRESSURE: 778000 27.0423 -58.2055 -109.401 -58.2043 39.7856 68.5114 -109.4 68.5107 -176.687 GPRESSURE: 778000 63.3249 -43.8704 -148.183 -50.3302 65.6865 28.7311 -65.2321 -15.8912 -141.34 PRESSAVG: 778000 -6.34124 31.9158 3.78771 31.9158 73.1299 -36.4687 3.78772 -36.4688 -39.5999 GPRESSAVG: 778000 -5.35471 31.8983 4.80656 29.793 72.0243 -39.126 4.03294 -34.9223 -39.1369 TIMING: 778000 CPU: 2318.4, 0.00297266/step Wall: 2318.4, 0.00297266/step, 3.48627 hours remaining, 206.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 778000 709.7584 2110.9783 1910.3548 107.7966 -206078.2233 17647.3800 0.0000 0.0000 34097.0093 -149494.9459 297.7777 -183591.9552 -149387.1611 298.3008 -36.6196 -4.1094 557548.3536 9.0629 9.1776 PRESSURE: 778200 4.9542 9.44084 -7.4479 9.44009 28.5848 -16.7699 -7.44881 -16.7677 62.6854 GPRESSURE: 778200 15.3053 119.356 53.8294 -156.178 67.8719 92.3058 46.2927 -99.1631 103.638 PRESSAVG: 778200 24.341 -7.64399 -29.7618 -7.64392 17.0039 -36.1238 -29.7618 -36.1238 31.6841 GPRESSAVG: 778200 23.8353 -7.57234 -30.9727 -8.13473 18.3905 -34.1763 -29.5734 -35.0749 30.828 TIMING: 778200 CPU: 2318.99, 0.00296392/step Wall: 2318.99, 0.00296392/step, 3.47586 hours remaining, 206.296875 MB of memory in use. ENERGY: 778200 775.8284 2044.0412 1946.1712 103.9286 -206501.6397 17969.2878 0.0000 0.0000 34264.5583 -149397.8241 299.2409 -183662.3825 -149298.1082 298.4935 32.0748 62.2718 556326.8284 24.3430 24.3513 PRESSURE: 778400 117.649 41.2438 -10.8404 41.2429 -108.65 -58.8651 -10.8396 -58.8658 116.357 GPRESSURE: 778400 136.565 4.22895 14.119 74.6181 -45.4975 76.9237 -23.8434 -147.362 132.588 PRESSAVG: 778400 0.496225 18.4589 -8.93058 18.4588 -29.105 41.3706 -8.93051 41.3707 39.7873 GPRESSAVG: 778400 -0.218737 15.9487 -8.61565 19.5619 -30.0651 42.1948 -9.75189 40.8003 41.1026 TIMING: 778400 CPU: 2319.59, 0.00300156/step Wall: 2319.59, 0.00300156/step, 3.51983 hours remaining, 206.296875 MB of memory in use. ENERGY: 778400 744.7946 2053.7789 1929.7510 112.6651 -206327.3546 17981.9865 0.0000 0.0000 34185.4645 -149318.9139 298.5502 -183504.3784 -149222.9409 299.2172 41.7854 74.5516 555943.5690 3.7262 3.6062 PRESSURE: 778600 242.51 -27.5154 140.021 -27.5148 102.111 109.315 140.021 109.316 -8.3252 GPRESSURE: 778600 274.256 -53.8654 76.9004 -22.6003 123.342 66.1998 200.388 163.571 30.9946 PRESSAVG: 778600 -17.6195 -14.6064 5.59933 -14.6064 -67.7558 -12.9308 5.59937 -12.9308 53.9676 GPRESSAVG: 778600 -15.9798 -12.5356 7.49661 -14.2064 -68.1553 -13.8264 5.48183 -12.7726 52.5506 TIMING: 778600 CPU: 2320.2, 0.00300537/step Wall: 2320.2, 0.00300537/step, 3.52413 hours remaining, 206.296875 MB of memory in use. ENERGY: 778600 710.2330 2035.9759 1901.0920 119.5237 -206337.7307 18048.9894 0.0000 0.0000 34072.6517 -149449.2649 297.5649 -183521.9166 -149356.4857 298.9970 112.0987 142.8643 558094.5230 -10.4692 -10.5282 PRESSURE: 778800 -92.1192 -85.1592 -23.7382 -85.1587 -87.2001 -117.957 -23.738 -117.958 -74.6622 GPRESSURE: 778800 14.2249 -67.3105 -12.1285 -39.0075 -78.3552 -64.7996 37.7499 -146.615 -98.7786 PRESSAVG: 778800 23.2433 -63.9795 -27.8874 -63.9795 -28.8437 -13.4992 -27.8873 -13.4992 -5.41423 GPRESSAVG: 778800 21.8626 -64.0101 -29.7875 -64.7479 -28.1746 -11.7491 -27.0326 -14.6858 -5.22346 TIMING: 778800 CPU: 2320.79, 0.00299655/step Wall: 2320.79, 0.00299655/step, 3.51362 hours remaining, 206.296875 MB of memory in use. ENERGY: 778800 722.3569 2071.2714 1940.4343 115.4616 -206138.0905 17672.1842 0.0000 0.0000 34214.2115 -149402.1707 298.8012 -183616.3821 -149305.1098 299.0264 -84.6605 -54.3030 557492.7870 -3.6715 -3.8452 PRESSURE: 779000 -14.1218 45.7697 -35.8628 45.7693 -205.482 -15.5271 -35.8637 -15.5266 74.8475 GPRESSURE: 779000 59.3434 -28.6525 -87.2775 6.1919 -241.671 -14.3258 -100.133 -120.645 130.901 PRESSAVG: 779000 -5.57728 -9.54586 -44.8644 -9.54588 24.2832 -24.2386 -44.8644 -24.2387 0.234583 GPRESSAVG: 779000 -5.33339 -10.6286 -44.883 -7.91147 23.3422 -25.4596 -46.4182 -23.9671 0.972695 TIMING: 779000 CPU: 2321.39, 0.0029872/step Wall: 2321.39, 0.0029872/step, 3.50249 hours remaining, 206.296875 MB of memory in use. ENERGY: 779000 757.9693 2060.6402 1944.3740 102.3351 -206496.3413 17949.2468 0.0000 0.0000 34123.4046 -149558.3713 298.0082 -183681.7759 -149463.8071 298.3539 -48.2522 -17.1420 557160.2926 6.3135 6.3272 PRESSURE: 779200 -334.411 9.88974 -16.8012 9.88989 -429.868 90.0109 -16.8007 90.0101 -66.775 GPRESSURE: 779200 -275.566 -52.5133 -71.789 -17.3935 -391.257 122.939 67.2281 65.9017 -56.06 PRESSAVG: 779200 0.454406 26.3267 21.5135 26.3267 -27.4767 13.9577 21.5135 13.9577 9.10841 GPRESSAVG: 779200 0.807971 27.3824 20.0252 24.3682 -26.9367 12.4514 22.5735 13.3659 8.44523 TIMING: 779200 CPU: 2321.99, 0.00298946/step Wall: 2321.99, 0.00298946/step, 3.50497 hours remaining, 206.296875 MB of memory in use. ENERGY: 779200 732.9946 2061.9164 1937.4621 107.5174 -205927.4088 17332.1427 0.0000 0.0000 33992.2649 -149763.1109 296.8629 -183755.3757 -149667.4242 298.2384 -277.0181 -240.9609 557166.8050 -5.9713 -5.8945 PRESSURE: 779400 277.69 187.592 85.6888 187.592 94.5718 -70.1293 85.6891 -70.1301 305.939 GPRESSURE: 779400 296.366 195.004 171.691 198.285 127.688 -38.0451 30.8752 -125.776 346.44 PRESSAVG: 779400 17.7271 0.0272998 31.1141 0.0273751 -34.3925 -20.5254 31.1141 -20.5255 20.0117 GPRESSAVG: 779400 17.4827 1.28433 32.1707 2.36925 -34.1555 -20.1185 30.3416 -19.7932 19.7743 TIMING: 779400 CPU: 2322.59, 0.00300808/step Wall: 2322.59, 0.00300808/step, 3.52664 hours remaining, 206.296875 MB of memory in use. ENERGY: 779400 745.9261 2132.3500 1930.4899 114.7337 -206703.1914 18065.7321 0.0000 0.0000 34237.6764 -149476.2832 299.0061 -183713.9596 -149384.0892 298.3468 226.0668 256.8311 555363.6012 1.1155 1.0338 PRESSURE: 779600 211.346 -73.8593 80.9229 -73.859 -107.754 57.8372 80.922 57.8356 115.291 GPRESSURE: 779600 211.666 -87.6153 87.9918 -118.624 -68.5919 23.2266 21.3271 92.6668 189.321 PRESSAVG: 779600 34.2201 24.4937 -53.1031 24.4938 -13.1397 -70.7958 -53.1031 -70.796 -36.6994 GPRESSAVG: 779600 35.3862 24.0952 -53.668 23.0149 -14.5195 -69.1989 -53.3817 -72.5997 -35.7987 TIMING: 779600 CPU: 2323.19, 0.00299313/step Wall: 2323.19, 0.00299313/step, 3.50894 hours remaining, 206.296875 MB of memory in use. ENERGY: 779600 770.0144 2112.1801 1936.8442 113.1241 -206687.1514 18011.1810 0.0000 0.0000 34057.8941 -149685.9135 297.4361 -183743.8076 -149592.7838 298.5071 72.9611 110.7983 557396.3945 -5.2063 -4.9773 PRESSURE: 779800 133.1 -156.465 -84.5787 -156.466 255.732 -213.381 -84.5791 -213.381 106.714 GPRESSURE: 779800 138.715 -109.452 -103.697 -186.859 298.05 -200.498 -109.774 -201.907 147.215 PRESSAVG: 779800 18.5667 -3.21038 -53.4006 -3.21044 1.53016 4.55053 -53.4006 4.55058 13.0433 GPRESSAVG: 779800 18.0153 -3.77281 -52.6477 -2.04348 2.21224 5.13404 -52.6159 6.28019 12.3313 TIMING: 779800 CPU: 2323.79, 0.00299898/step Wall: 2323.79, 0.00299898/step, 3.51564 hours remaining, 206.296875 MB of memory in use. ENERGY: 779800 758.8516 2082.7013 1897.1527 106.4839 -206975.7112 18287.3598 0.0000 0.0000 34144.6138 -149698.5480 298.1934 -183843.1618 -149599.8588 298.4349 165.1819 194.6600 556904.9418 11.0467 10.8529 PRESSURE: 780000 -229.354 -115.799 31.9029 -115.8 -45.0249 -172.705 31.9034 -172.706 -312.914 GPRESSURE: 780000 -201.515 25.291 37.0985 -145.596 -35.9354 -118.318 109.005 -232.528 -254.671 PRESSAVG: 780000 -76.2631 17.2401 15.4174 17.2401 46.7372 7.37277 15.4173 7.37273 31.8815 GPRESSAVG: 780000 -76.9697 18.2047 14.7137 17.5865 46.6722 6.32026 15.447 6.64383 32.639 TIMING: 780000 CPU: 2324.39, 0.00299996/step Wall: 2324.39, 0.00299996/step, 3.51662 hours remaining, 206.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 780000 705.0779 2102.3076 1957.3915 110.9528 -205856.7011 17484.4106 0.0000 0.0000 34025.5829 -149470.9778 297.1539 -183496.5607 -149375.3238 298.5180 -195.7642 -164.0406 557774.5527 0.7852 0.7805 PRESSURE: 780200 121.33 -28.9885 -19.2669 -28.9893 -24.7846 10.8114 -19.2662 10.8126 -168.262 GPRESSURE: 780200 120.296 -23.3607 -18.646 -54.396 42.4577 30.4422 -95.2156 -60.1939 -145.125 PRESSAVG: 780200 -20.4926 -27.1027 2.1658 -27.1026 -22.6604 -26.9918 2.16589 -26.9918 55.469 GPRESSAVG: 780200 -19.7421 -29.1955 2.38562 -24.659 -22.8887 -26.2689 1.02281 -29.0004 55.1696 TIMING: 780200 CPU: 2324.99, 0.00298481/step Wall: 2324.99, 0.00298481/step, 3.4987 hours remaining, 206.296875 MB of memory in use. ENERGY: 780200 703.2694 2087.0887 1951.5724 114.1183 -206224.7519 17630.9276 0.0000 0.0000 34233.6583 -149504.1171 298.9711 -183737.7754 -149408.2294 298.2150 -23.9055 5.8762 555244.7403 4.1053 4.1796 LDB: ============= START OF LOAD BALANCING ============== 2328.54 LDB: ============== END OF LOAD BALANCING =============== 2328.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2328.54 LDB: ============= START OF LOAD BALANCING ============== 2328.84 LDB: Largest compute 4796 load 0.030856 is 26.1% of average load 0.118079 LDB: Average compute 0.001725 is 1.5% of average load 0.118079 LDB: TIME 2328.84 LOAD: AVG 0.118079 MAX 0.20726 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.785 MB LDB: TIME 2328.84 LOAD: AVG 0.118079 MAX 0.20726 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.828 MB LDB: TIME 2328.84 LOAD: AVG 0.118079 MAX 0.20726 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.828 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2328.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2328.85 PRESSURE: 780400 -224.402 22.2258 42.2792 22.2242 30.703 -85.7467 42.2787 -85.7474 -172.464 GPRESSURE: 780400 -141.455 11.2733 35.0242 22.7715 46.13 -49.4181 29.2286 -69.0082 -167.546 PRESSAVG: 780400 27.2324 -30.7183 7.31685 -30.7183 27.8059 -34.3701 7.31683 -34.37 -22.7473 GPRESSAVG: 780400 26.6271 -29.9573 7.26353 -33.338 28.3998 -34.6504 8.52352 -32.3348 -22.2687 TIMING: 780400 CPU: 2325.6, 0.00306027/step Wall: 2325.6, 0.00306027/step, 3.58697 hours remaining, 206.554688 MB of memory in use. ENERGY: 780400 750.9257 2103.5709 1943.1037 103.5843 -206389.8665 17727.1540 0.0000 0.0000 34208.0566 -149553.4714 298.7475 -183761.5279 -149459.3590 298.6533 -122.0544 -87.6238 556550.1571 10.7637 10.9194 PRESSURE: 780600 -49.9198 -7.32636 90.0952 -7.32605 -5.23834 -86.3562 90.0956 -86.3568 -18.2432 GPRESSURE: 780600 2.72478 24.8579 105.299 -108.703 -12.2886 -73.3355 131.668 -85.7974 36.8422 PRESSAVG: 780600 -54.2264 8.50693 15.2908 8.50679 13.703 -13.6844 15.2909 -13.6842 -17.0453 GPRESSAVG: 780600 -53.8743 10.5865 16.0865 5.88957 13.6565 -14.6321 15.5848 -13.8998 -17.1897 TIMING: 780600 CPU: 2326.2, 0.0029914/step Wall: 2326.2, 0.0029914/step, 3.50609 hours remaining, 206.554688 MB of memory in use. ENERGY: 780600 731.3153 2085.5504 1934.8936 109.4425 -206492.6332 17899.0047 0.0000 0.0000 34152.6599 -149579.7669 298.2637 -183732.4268 -149480.8090 297.8539 -24.4671 9.0928 556618.9477 -19.1896 -19.1358 PRESSURE: 780800 -108.328 -168.682 -90.3938 -168.682 279.565 -215.886 -90.3934 -215.887 -59.4099 GPRESSURE: 780800 -21.4222 -154.769 -127.654 -179.184 265.823 -220.125 -148.078 -89.0053 -41.4132 PRESSAVG: 780800 -36.4618 39.8775 36.1754 39.8774 27.1143 -22.5032 36.1753 -22.5032 34.7068 GPRESSAVG: 780800 -37.1397 37.534 35.7739 43.0887 27.9762 -21.8539 34.7812 -23.2042 34.4214 TIMING: 780800 CPU: 2326.8, 0.00298933/step Wall: 2326.8, 0.00298933/step, 3.50349 hours remaining, 206.554688 MB of memory in use. ENERGY: 780800 721.4309 2063.6951 1899.9236 115.3201 -206534.9995 18003.8391 0.0000 0.0000 34049.3438 -149681.4469 297.3614 -183730.7907 -149581.7330 297.6238 37.2758 67.6624 557138.7060 8.4531 8.4193 PRESSURE: 781000 -86.4395 -11.1428 -88.4048 -11.1435 -130.884 57.6338 -88.4049 57.6351 75.304 GPRESSURE: 781000 -53.0463 28.1417 -175.666 -66.9813 -33.9157 8.73807 -79.5789 11.4866 55.5688 PRESSAVG: 781000 -40.3516 28.4964 -30.5876 28.4964 -15.621 -27.0272 -30.5876 -27.0272 53.3268 GPRESSAVG: 781000 -38.773 29.3695 -31.9411 27.6807 -17.4809 -27.9785 -30.1031 -26.2807 54.4898 TIMING: 781000 CPU: 2327.39, 0.00299791/step Wall: 2327.39, 0.00299791/step, 3.51338 hours remaining, 206.554688 MB of memory in use. ENERGY: 781000 708.7164 2141.4064 1913.0625 128.0746 -206483.3588 17832.9440 0.0000 0.0000 34129.2697 -149629.8853 298.0594 -183759.1550 -149538.2795 298.0769 -47.3400 -10.4644 557841.2010 -0.8819 -0.5880 PRESSURE: 781200 -148.258 -195.726 8.46014 -195.727 -148.456 84.7424 8.45979 84.7412 -108.833 GPRESSURE: 781200 -103.186 -192.25 37.202 -188.545 -100.743 61.3037 55.288 161.952 -98.1774 PRESSAVG: 781200 -29.7533 -76.4401 -48.0696 -76.4401 44.2212 -18.3706 -48.0696 -18.3706 -12.579 GPRESSAVG: 781200 -29.5147 -78.5729 -47.1542 -76.8936 45.2555 -20.4925 -48.4816 -17.3969 -14.3919 TIMING: 781200 CPU: 2327.99, 0.00298023/step Wall: 2327.99, 0.00298023/step, 3.49249 hours remaining, 206.554688 MB of memory in use. ENERGY: 781200 741.0666 2088.9200 1923.2141 117.7037 -206499.9944 17824.2451 0.0000 0.0000 34081.3524 -149723.4926 297.6409 -183804.8450 -149636.1169 298.2398 -135.1826 -100.7019 558071.9001 0.6297 0.4496 PRESSURE: 781400 -130.542 -203.471 -133.873 -203.472 -90.5525 -30.2038 -133.875 -30.2035 -233.224 GPRESSURE: 781400 -132.906 -126.803 -57.045 -224.152 -1.23941 -74.4677 -117.048 -51.27 -217.301 PRESSAVG: 781400 -60.5396 -25.0498 -24.1612 -25.0497 11.2918 -20.1802 -24.1613 -20.1802 -24.4061 GPRESSAVG: 781400 -60.5483 -23.1208 -23.9759 -25.2365 10.5334 -18.5245 -23.1707 -21.581 -23.6829 TIMING: 781400 CPU: 2328.59, 0.00297776/step Wall: 2328.59, 0.00297776/step, 3.48944 hours remaining, 206.554688 MB of memory in use. ENERGY: 781400 762.1239 2084.7902 1903.5685 105.5719 -206724.9404 17913.8692 0.0000 0.0000 34264.5741 -149690.4425 299.2410 -183955.0167 -149590.1358 298.2464 -151.4394 -117.1486 558782.8639 -24.5513 -24.5660 PRESSURE: 781600 261.554 8.14799 -38.1455 8.14693 23.1661 -73.3507 -38.1463 -73.3519 -84.0539 GPRESSURE: 781600 253.58 -118.435 -76.9587 91.0523 133.438 -45.7952 -9.60653 -46.4821 -97.8853 PRESSAVG: 781600 -47.6806 -2.31527 -60.3331 -2.31529 129.095 -32.9167 -60.333 -32.9168 -41.2148 GPRESSAVG: 781600 -47.7947 -5.4079 -60.2672 -1.7697 129.389 -32.8245 -61.5178 -32.7305 -41.4429 TIMING: 781600 CPU: 2329.18, 0.00298684/step Wall: 2329.18, 0.00298684/step, 3.49992 hours remaining, 206.554688 MB of memory in use. ENERGY: 781600 772.5965 2049.5076 1924.4229 127.4753 -206849.3051 18123.8468 0.0000 0.0000 34150.6933 -149700.7627 298.2465 -183851.4560 -149605.9924 298.0238 66.8887 96.3776 556403.6291 13.3998 13.3839 PRESSURE: 781800 -45.9672 36.5306 150.471 36.53 88.8897 -12.0755 150.469 -12.0752 -211.104 GPRESSURE: 781800 12.484 56.9597 109.37 -39.9836 116.034 -12.5891 208.486 -22.2775 -206.683 PRESSAVG: 781800 35.9942 13.6058 46.4761 13.6058 65.3687 -36.3986 46.4761 -36.3986 -86.7769 GPRESSAVG: 781800 35.4184 15.9516 44.6813 13.3902 65.6601 -36.7024 48.7917 -36.8314 -86.7481 TIMING: 781800 CPU: 2329.77, 0.00295568/step Wall: 2329.77, 0.00295568/step, 3.46323 hours remaining, 206.554688 MB of memory in use. ENERGY: 781800 738.3228 2052.8224 1919.8663 112.5598 -206608.6403 17951.6527 0.0000 0.0000 34032.3928 -149801.0234 297.2134 -183833.4162 -149709.6972 297.6432 -56.0604 -26.0551 558686.9344 4.8620 4.7768 PRESSURE: 782000 -35.62 61.6419 93.8798 61.6425 -84.0951 53.8628 93.8816 53.8624 -60.9149 GPRESSURE: 782000 -13.1687 -15.1628 99.1062 120.389 -29.864 98.5394 13.0835 133.296 -41.2912 PRESSAVG: 782000 24.8168 -18.0469 11.5872 -18.047 -14.5339 15.6633 11.5872 15.6633 2.0249 GPRESSAVG: 782000 25.2609 -17.326 12.7585 -18.4261 -15.5904 15.6569 11.1448 15.881 2.57343 TIMING: 782000 CPU: 2330.37, 0.00299032/step Wall: 2330.37, 0.00299032/step, 3.50366 hours remaining, 206.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 782000 740.6195 2007.2106 1965.3156 92.2703 -206261.0834 17659.1914 0.0000 0.0000 34061.3561 -149735.1199 297.4663 -183796.4760 -149638.5949 297.2738 -60.2100 -28.1079 557453.1486 4.1026 4.0813 PRESSURE: 782200 -132.82 65.449 160.026 65.4504 -189.897 -100.39 160.025 -100.388 -326.148 GPRESSURE: 782200 -72.6924 -3.02889 139.073 92.187 -187.993 -8.32558 192.563 -65.1816 -278.88 PRESSAVG: 782200 37.3441 -0.931779 -10.5804 -0.9317 41.8271 6.07601 -10.5804 6.07596 -107.922 GPRESSAVG: 782200 37.552 -3.69424 -10.7635 2.18361 41.7167 5.09569 -11.3094 6.93481 -108.268 TIMING: 782200 CPU: 2330.96, 0.00294881/step Wall: 2330.96, 0.00294881/step, 3.45486 hours remaining, 206.625000 MB of memory in use. ENERGY: 782200 729.9019 2100.8174 1907.6220 102.8735 -206091.7777 17519.8449 0.0000 0.0000 34149.4737 -149581.2441 298.2358 -183730.7178 -149477.6652 297.8917 -216.2883 -179.8549 557885.1226 -9.5837 -9.6665 PRESSURE: 782400 110.372 41.1974 8.09346 41.1975 -48.3499 165.214 8.09428 165.214 72.6272 GPRESSURE: 782400 144.789 36.9317 16.2292 117.993 -32.9591 228.303 75.8813 40.2405 118.857 PRESSAVG: 782400 51.386 62.9092 -6.34346 62.9091 32.7036 -7.39332 -6.34333 -7.39349 -38.8937 GPRESSAVG: 782400 52.4845 64.0417 -5.67267 59.0907 31.9307 -6.17088 -5.88252 -9.06921 -39.5972 TIMING: 782400 CPU: 2331.56, 0.00298965/step Wall: 2331.56, 0.00298965/step, 3.50254 hours remaining, 206.625000 MB of memory in use. ENERGY: 782400 746.6554 2020.9381 1932.1725 101.1422 -206775.5794 18145.8913 0.0000 0.0000 34372.0016 -149456.7785 300.1792 -183828.7800 -149355.6873 298.0803 44.8833 76.8954 555569.7921 15.0653 14.9393 PRESSURE: 782600 59.4607 60.5662 67.0108 60.5656 35.3036 -130.426 67.0104 -130.426 66.7761 GPRESSURE: 782600 111.798 111.491 30.847 -102.371 55.4849 -201.542 143.734 -80.2177 86.0071 PRESSAVG: 782600 42.5555 44.8043 -26.8918 44.8042 15.5977 -5.66555 -26.8918 -5.66553 -59.1742 GPRESSAVG: 782600 41.3449 45.5476 -25.5817 44.5952 16.8007 -6.48312 -28.6139 -4.91756 -58.6976 TIMING: 782600 CPU: 2332.16, 0.00298173/step Wall: 2332.16, 0.00298173/step, 3.4931 hours remaining, 206.625000 MB of memory in use. ENERGY: 782600 759.1567 2056.7633 1941.3129 107.5012 -206388.9987 18023.8887 0.0000 0.0000 34088.4924 -149411.8835 297.7033 -183500.3759 -149320.1512 298.3722 53.8468 84.4301 557200.9397 -0.3404 -0.1840 PRESSURE: 782800 -177.581 241.105 -42.7339 241.106 207.517 -108.085 -42.7335 -108.086 189.917 GPRESSURE: 782800 -115.798 244.738 -48.0527 214.572 209.913 -70.8741 -74.9754 -43.2628 237.495 PRESSAVG: 782800 16.1409 14.1512 35.6509 14.1512 9.25736 -15.6974 35.651 -15.6973 -9.90527 GPRESSAVG: 782800 15.7905 15.0833 34.2158 14.2872 8.69197 -14.7615 36.1624 -13.524 -8.48198 TIMING: 782800 CPU: 2332.75, 0.00294284/step Wall: 2332.75, 0.00294284/step, 3.44738 hours remaining, 206.625000 MB of memory in use. ENERGY: 782800 684.8107 2053.3607 1930.6378 101.4785 -206429.6115 17979.6710 0.0000 0.0000 34206.1498 -149473.5030 298.7308 -183679.6528 -149380.0979 299.2166 73.2845 110.5369 558138.2620 5.1643 5.3335 PRESSURE: 783000 -77.3904 -17.8472 111.01 -17.8468 38.7625 10.0249 111.01 10.0243 -273.019 GPRESSURE: 783000 -62.5278 -39.7809 101.316 -16.0248 80.92 55.7809 164.853 -33.0626 -213.563 PRESSAVG: 783000 22.3878 17.4469 47.7195 17.4469 32.6931 22.6328 47.7196 22.6328 -11.1636 GPRESSAVG: 783000 23.7386 17.6813 45.782 15.8348 33.333 21.9725 48.2766 21.2456 -12.528 TIMING: 783000 CPU: 2333.33, 0.0029457/step Wall: 2333.33, 0.0029457/step, 3.45056 hours remaining, 206.625000 MB of memory in use. ENERGY: 783000 777.3431 2072.1171 1916.3257 115.7697 -206315.1495 17834.8909 0.0000 0.0000 34102.1843 -149496.5186 297.8229 -183598.7029 -149400.6021 299.2546 -103.8822 -65.0570 557025.6005 14.6391 14.8478 PRESSURE: 783200 -189.071 105.637 23.2868 105.635 -203.393 -14.7189 23.2868 -14.7185 -4.01089 GPRESSURE: 783200 -70.2934 31.9856 35.3768 164.154 -173.357 50.2986 136.421 -136.975 -71.6431 PRESSAVG: 783200 -90.7979 -20.669 43.3149 -20.6691 70.7101 80.6566 43.315 80.6566 -13.2608 GPRESSAVG: 783200 -92.0621 -23.1533 44.8168 -18.1391 70.9666 80.3905 44.0311 79.7183 -12.4744 TIMING: 783200 CPU: 2333.93, 0.00297973/step Wall: 2333.93, 0.00297973/step, 3.49025 hours remaining, 206.625000 MB of memory in use. ENERGY: 783200 733.0907 2096.7542 1939.6889 103.3981 -205979.0778 17635.2433 0.0000 0.0000 34082.6385 -149388.2639 297.6522 -183470.9025 -149295.3398 298.5928 -132.1581 -105.0978 557745.9119 -11.1162 -11.1900 PRESSURE: 783400 198.592 119.705 -121.482 119.705 -234.048 1.48322 -121.482 1.48192 -31.7204 GPRESSURE: 783400 239.535 127.726 -20.4848 141.114 -215.628 5.7871 -165.247 -43.1737 1.16884 PRESSAVG: 783400 -3.91638 36.9365 -3.62409 36.9366 -15.027 52.146 -3.62402 52.1459 32.8765 GPRESSAVG: 783400 -2.79699 38.1993 -1.13767 38.7311 -15.2656 52.1826 -5.47601 52.5004 31.7263 TIMING: 783400 CPU: 2334.53, 0.00297963/step Wall: 2334.53, 0.00297963/step, 3.48998 hours remaining, 206.625000 MB of memory in use. ENERGY: 783400 722.8081 2070.4792 1934.5953 119.4350 -206238.7232 17828.8001 0.0000 0.0000 34162.1952 -149400.4104 298.3469 -183562.6055 -149306.7606 298.8297 -22.3921 8.3586 558718.7414 4.6444 4.5546 PRESSURE: 783600 24.3609 94.2673 53.6472 94.268 45.1026 -37.4163 53.648 -37.4182 8.78663 GPRESSURE: 783600 95.3988 94.3879 -6.95888 41.6368 51.2216 -35.9469 77.4563 -10.0132 8.45522 PRESSAVG: 783600 -38.7271 -20.546 -67.5454 -20.5459 55.0951 -0.17369 -67.5454 -0.173886 -13.281 GPRESSAVG: 783600 -39.2575 -21.1698 -69.1254 -23.7196 55.7028 0.466357 -65.3167 -1.06096 -13.006 TIMING: 783600 CPU: 2335.12, 0.00299233/step Wall: 2335.12, 0.00299233/step, 3.50469 hours remaining, 206.625000 MB of memory in use. ENERGY: 783600 745.7878 2067.2511 1928.6925 111.6438 -206171.5637 17851.8768 0.0000 0.0000 33964.8024 -149501.5093 296.6231 -183466.3117 -149412.4004 298.0238 26.0834 51.6919 556973.6767 1.0290 1.1464 PRESSURE: 783800 -76.5014 40.3487 115.017 40.3492 5.34034 -75.5909 115.015 -75.5903 -1.49168 GPRESSURE: 783800 -5.65953 66.3787 185.284 37.956 28.6581 -4.83988 95.5614 -81.2562 7.49411 PRESSAVG: 783800 48.7014 38.9275 31.1157 38.9275 18.1463 4.53367 31.1156 4.53361 -83.9103 GPRESSAVG: 783800 48.2986 40.1301 30.4141 40.3087 18.0527 4.05314 31.6036 6.17088 -83.061 TIMING: 783800 CPU: 2335.72, 0.00297327/step Wall: 2335.72, 0.00297327/step, 3.4822 hours remaining, 206.625000 MB of memory in use. ENERGY: 783800 693.8167 2051.5358 1943.0630 105.2097 -206239.9869 17873.3012 0.0000 0.0000 33938.5144 -149634.5460 296.3935 -183573.0604 -149543.1979 298.3930 -24.2176 10.1642 558317.9417 -5.6876 -5.5699 PRESSURE: 784000 -354.953 0.552011 100.105 0.551378 -153.911 21.2833 100.106 21.2825 -335.357 GPRESSURE: 784000 -368.495 -78.0202 82.8999 54.3257 -120.704 39.3387 180.461 155.694 -247.932 PRESSAVG: 784000 0.513101 -43.7874 42.7336 -43.7874 -5.20605 12.1356 42.7336 12.1357 -14.0853 GPRESSAVG: 784000 1.14155 -45.2025 41.4174 -44.5168 -5.94157 11.7433 42.3357 10.2656 -13.6627 TIMING: 784000 CPU: 2336.31, 0.00296974/step Wall: 2336.31, 0.00296974/step, 3.4779 hours remaining, 206.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 784000 716.3917 2034.6140 1920.3708 128.5885 -206142.2200 17509.1689 0.0000 0.0000 34342.0541 -149491.0320 299.9177 -183833.0861 -149385.7595 298.4658 -281.4069 -245.7103 558658.8275 -6.2594 -6.1543 PRESSURE: 784200 -238.529 35.2839 -28.5547 35.284 -363.104 -60.5948 -28.5559 -60.5938 -369.495 GPRESSURE: 784200 -234.377 13.5842 -60.0108 25.0304 -295.016 -122.634 -76.423 -26.4069 -353.779 PRESSAVG: 784200 35.2448 0.0635217 -13.0755 0.0635991 52.0646 -6.54158 -13.0756 -6.54144 -53.9023 GPRESSAVG: 784200 35.496 0.117907 -11.3385 -0.838111 51.6732 -6.71494 -13.2052 -4.42535 -53.6301 TIMING: 784200 CPU: 2336.9, 0.00295221/step Wall: 2336.9, 0.00295221/step, 3.4572 hours remaining, 206.625000 MB of memory in use. ENERGY: 784200 746.1391 2051.0310 1927.0437 108.1418 -205755.7872 17409.3312 0.0000 0.0000 34271.2570 -149242.8434 299.2994 -183514.1004 -149148.7496 298.6971 -323.7092 -294.3905 558831.5402 11.1357 11.1797 LDB: ============= START OF LOAD BALANCING ============== 2340.45 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2340.45 LDB: =============== DONE WITH MIGRATION ================ 2340.45 LDB: ============= START OF LOAD BALANCING ============== 2340.75 LDB: Largest compute 4796 load 0.032003 is 27.1% of average load 0.118151 LDB: Average compute 0.001731 is 1.5% of average load 0.118151 LDB: TIME 2340.75 LOAD: AVG 0.118151 MAX 0.206523 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.07 MB LDB: TIME 2340.75 LOAD: AVG 0.118151 MAX 0.206523 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.273 MB LDB: TIME 2340.75 LOAD: AVG 0.118151 MAX 0.206523 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.273 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2340.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2340.76 PRESSURE: 784400 -7.67208 29.1097 -128.631 29.1112 69.2699 96.6802 -128.631 96.6812 197.762 GPRESSURE: 784400 29.9544 21.975 -151.434 83.1882 82.8229 99.142 -54.1359 144.798 241.835 PRESSAVG: 784400 26.0783 22.247 -32.7126 22.247 -98.1229 29.4632 -32.7125 29.4633 68.8616 GPRESSAVG: 784400 24.6762 22.0342 -31.9158 22.4563 -96.679 29.9347 -33.0335 26.83 68.3729 TIMING: 784400 CPU: 2337.51, 0.00300932/step Wall: 2337.51, 0.00300932/step, 3.52391 hours remaining, 207.265625 MB of memory in use. ENERGY: 784400 752.8616 2063.3980 1936.8493 133.1207 -206533.9066 18197.1364 0.0000 0.0000 34219.8508 -149230.6898 298.8505 -183450.5406 -149141.8742 298.5618 86.4532 118.2041 557214.3581 -1.0610 -1.2100 PRESSURE: 784600 -198.022 -12.9463 -60.4111 -12.9469 -178.006 -74.5027 -60.4104 -74.5041 -69.193 GPRESSURE: 784600 -186.475 -43.9923 19.9404 18.6094 -116.054 -99.7495 -127.226 -56.6731 -42.5663 PRESSAVG: 784600 -41.4605 17.2071 -42.3004 17.2071 20.9656 40.8589 -42.3003 40.8589 -2.51704 GPRESSAVG: 784600 -40.5335 19.4532 -41.264 18.0709 20.0051 39.99 -43.1744 43.0754 -2.14965 TIMING: 784600 CPU: 2338.1, 0.00294836/step Wall: 2338.1, 0.00294836/step, 3.45237 hours remaining, 207.464844 MB of memory in use. ENERGY: 784600 743.2111 1981.9640 1925.7399 107.5044 -205941.1534 17570.6834 0.0000 0.0000 34451.8369 -149160.2136 300.8765 -183612.0505 -149064.0748 299.1322 -148.4070 -115.0315 556770.4729 -7.6706 -7.5594 PRESSURE: 784800 4.69328 176.904 82.0167 176.904 -203.087 -86.0309 82.0155 -86.0307 -54.1089 GPRESSURE: 784800 -26.7169 214.633 146.5 159.805 -124.496 -127.15 22.7827 -5.05976 -2.26016 PRESSAVG: 784800 -10.3146 21.9722 -40.3909 21.9723 73.9684 22.4388 -40.3909 22.4387 -15.6908 GPRESSAVG: 784800 -10.2117 18.8944 -40.8304 21.65 74.7756 24.3251 -39.5168 21.3251 -16.7225 TIMING: 784800 CPU: 2338.69, 0.00294818/step Wall: 2338.69, 0.00294818/step, 3.45199 hours remaining, 207.464844 MB of memory in use. ENERGY: 784800 728.2675 2119.4090 1928.6678 112.2516 -205506.8659 17475.2664 0.0000 0.0000 33788.0451 -149354.9585 295.0794 -183143.0035 -149252.1857 298.9775 -84.1674 -51.1577 557257.8498 15.9877 15.9471 PRESSURE: 785000 103.014 -59.1124 34.443 -59.1125 118.556 -141.373 34.4428 -141.373 -93.9036 GPRESSURE: 785000 89.9018 -29.2377 65.547 -68.4003 150.751 -129.729 64.531 -158.952 -8.17065 PRESSAVG: 785000 36.2858 8.62886 1.01173 8.62892 9.02912 14.9444 1.01176 14.9444 -53.0819 GPRESSAVG: 785000 36.212 9.7323 -0.997865 8.74735 8.70545 13.957 2.79282 15.2336 -52.7301 TIMING: 785000 CPU: 2339.28, 0.00295924/step Wall: 2339.28, 0.00295924/step, 3.46477 hours remaining, 207.464844 MB of memory in use. ENERGY: 785000 704.9596 2084.0615 1925.2091 113.4232 -206123.8844 17817.2971 0.0000 0.0000 33977.4211 -149501.5128 296.7333 -183478.9339 -149408.2607 297.7322 42.5554 77.4940 559078.5402 -2.5890 -2.6042 PRESSURE: 785200 -126.663 30.1701 77.4793 30.1699 -116.645 28.3736 77.4796 28.3757 -327.39 GPRESSURE: 785200 -92.1592 44.077 72.5404 106.085 -122.41 6.80986 69.7476 42.5198 -271.074 PRESSAVG: 785200 -8.73036 -36.6865 -37.1784 -36.6864 65.7967 36.492 -37.1783 36.4921 -46.6613 GPRESSAVG: 785200 -8.13641 -38.8324 -36.505 -35.4041 65.1702 36.8497 -38.384 34.7156 -46.4818 TIMING: 785200 CPU: 2339.87, 0.00296231/step Wall: 2339.87, 0.00296231/step, 3.4682 hours remaining, 207.464844 MB of memory in use. ENERGY: 785200 756.4247 2095.1343 1907.3805 108.8455 -206043.7082 17674.1857 0.0000 0.0000 34238.5248 -149263.2128 299.0136 -183501.7376 -149172.6811 298.1432 -190.2326 -161.8811 559307.2747 3.4683 3.5173 PRESSURE: 785400 100.927 92.174 -101.523 92.1757 -122.545 -38.671 -101.521 -38.671 -122.526 GPRESSURE: 785400 106.69 138.729 -131.153 76.3269 -120.45 -60.3789 -89.0099 -14.788 -37.796 PRESSAVG: 785400 66.5809 48.0333 -52.8224 48.0333 -25.0727 -12.9518 -52.8223 -12.9518 -34.692 GPRESSAVG: 785400 67.0089 49.9108 -53.6898 46.6458 -25.518 -14.4136 -52.0532 -10.3196 -35.2093 TIMING: 785400 CPU: 2340.46, 0.00297305/step Wall: 2340.46, 0.00297305/step, 3.48062 hours remaining, 207.464844 MB of memory in use. ENERGY: 785400 751.9982 2022.2962 1949.9053 110.8072 -206139.7116 17832.9483 0.0000 0.0000 33996.8122 -149474.9443 296.9026 -183471.7565 -149383.5075 298.6550 -48.0478 -17.1855 559030.1719 2.2721 2.0939 PRESSURE: 785600 -64.8028 20.6771 11.9342 20.6766 -27.4947 11.7991 11.9342 11.7979 -12.7954 GPRESSURE: 785600 -4.66939 -47.5592 155.136 64.2099 -36.7391 -8.59312 -72.4927 -17.1278 37.6114 PRESSAVG: 785600 4.16201 6.32126 50.0701 6.32138 -12.8823 -10.054 50.07 -10.0538 -9.97995 GPRESSAVG: 785600 3.03627 4.58073 51.1017 7.05927 -11.431 -10.8573 48.9793 -8.60707 -9.96854 TIMING: 785600 CPU: 2341.05, 0.0029514/step Wall: 2341.05, 0.0029514/step, 3.45511 hours remaining, 207.464844 MB of memory in use. ENERGY: 785600 761.5529 2031.1524 1965.4234 110.3312 -206232.6279 17964.1683 0.0000 0.0000 34184.5499 -149215.4499 298.5422 -183399.9997 -149118.7091 298.5408 -35.0310 -1.2657 559733.5505 -6.2334 -6.1211 PRESSURE: 785800 -229.547 113.761 -140.5 113.763 -329.79 -78.242 -140.5 -78.2428 73.0753 GPRESSURE: 785800 -170.004 129.06 -102.91 124.771 -296.627 -14.6765 -56.0698 -222.048 84.7241 PRESSAVG: 785800 0.641585 44.0289 37.4574 44.0289 -33.9692 -18.1371 37.4573 -18.1372 35.8302 GPRESSAVG: 785800 1.15819 45.5346 36.7641 44.1334 -33.6144 -16.5824 36.5401 -19.5499 35.1455 TIMING: 785800 CPU: 2341.64, 0.00294757/step Wall: 2341.64, 0.00294757/step, 3.45045 hours remaining, 207.464844 MB of memory in use. ENERGY: 785800 743.9681 2049.9645 1951.3546 106.5555 -205674.1667 17541.9737 0.0000 0.0000 34191.4567 -149088.8936 298.6025 -183280.3504 -148996.4810 299.3360 -162.0873 -127.3024 557848.9333 0.8342 0.8964 PRESSURE: 786000 -52.291 10.1049 -45.1532 10.103 -143.859 -75.1094 -45.1524 -75.1086 -195.115 GPRESSURE: 786000 -63.2841 20.727 -0.64725 -37.5748 -103.931 -87.5455 -21.4977 -15.356 -128.408 PRESSAVG: 786000 -28.6119 4.98268 -16.1925 4.98262 11.339 -52.9833 -16.1924 -52.9833 -32.7701 GPRESSAVG: 786000 -28.0728 5.27681 -15.8356 5.03867 10.7052 -52.5273 -15.6253 -52.0949 -32.3725 TIMING: 786000 CPU: 2342.24, 0.00297755/step Wall: 2342.24, 0.00297755/step, 3.48539 hours remaining, 207.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 786000 718.4728 2066.6566 1915.1480 103.8013 -206081.3216 17640.8890 0.0000 0.0000 34273.2855 -149363.0685 299.3171 -183636.3540 -149268.5946 298.9952 -130.4217 -98.5410 557778.1730 -16.6810 -16.5800 PRESSURE: 786200 337.397 -64.0618 -114.25 -64.0629 -107.873 -82.2417 -114.249 -82.2409 -162.397 GPRESSURE: 786200 338.862 1.9758 -8.89006 -31.824 -25.3446 -13.0083 -202.972 -36.6558 -134.099 PRESSAVG: 786200 -15.8268 29.5386 -32.2955 29.5387 25.1445 -26.6481 -32.2956 -26.6481 3.25514 GPRESSAVG: 786200 -16.9757 29.0629 -31.8508 28.3716 26.5184 -28.5341 -32.841 -26.8367 2.59574 TIMING: 786200 CPU: 2342.83, 0.00296001/step Wall: 2342.83, 0.00296001/step, 3.4647 hours remaining, 207.464844 MB of memory in use. ENERGY: 786200 707.8112 2036.1952 1918.9126 101.3835 -206411.0473 17880.8298 0.0000 0.0000 34239.7475 -149526.1675 299.0242 -183765.9150 -149431.9669 298.3663 22.3756 59.8062 556716.8262 4.1909 4.0461 PRESSURE: 786400 -72.7378 -33.9318 92.6009 -33.9319 -48.8477 -31.8624 92.6002 -31.8632 227.401 GPRESSURE: 786400 -97.5758 -70.565 132.956 58.2792 -45.4118 3.05764 97.6553 -58.3258 333.156 PRESSAVG: 786400 42.0325 -13.1856 30.5203 -13.1856 25.7509 -5.99761 30.5203 -5.99768 -48.7529 GPRESSAVG: 786400 42.1753 -12.8242 29.9408 -13.7857 25.4976 -4.47883 31.8948 -9.14795 -48.9913 TIMING: 786400 CPU: 2343.43, 0.00297199/step Wall: 2343.43, 0.00297199/step, 3.47854 hours remaining, 207.464844 MB of memory in use. ENERGY: 786400 727.6088 2072.6424 1944.4157 106.1895 -206292.3362 17879.2587 0.0000 0.0000 34156.5989 -149405.6222 298.2981 -183562.2211 -149307.8710 299.2717 35.2719 63.3896 556835.9144 6.3435 6.2272 PRESSURE: 786600 -173.604 -40.42 -167.434 -40.4197 102.024 140.623 -167.435 140.622 -202.421 GPRESSURE: 786600 -103.722 -66.8375 -186.132 -20.2681 123.284 97.475 -71.1078 136.765 -197.653 PRESSAVG: 786600 3.87049 -11.9229 38.0719 -11.923 61.2849 -30.0998 38.0719 -30.0998 -54.0732 GPRESSAVG: 786600 3.60595 -12.261 37.9057 -11.152 62.244 -29.9186 37.8238 -28.8673 -54.4226 TIMING: 786600 CPU: 2344.02, 0.00297265/step Wall: 2344.02, 0.00297265/step, 3.47916 hours remaining, 207.464844 MB of memory in use. ENERGY: 786600 720.8828 2074.9546 1917.6227 98.6393 -206092.3030 17574.4657 0.0000 0.0000 34215.1057 -149490.6322 298.8090 -183705.7379 -149386.6639 299.3801 -91.3336 -59.3638 557775.7040 3.6941 3.8091 PRESSURE: 786800 -176.54 117.167 41.1532 117.167 -198.169 62.464 41.1527 62.4653 -279.521 GPRESSURE: 786800 -179.148 141.443 43.8192 105.951 -124.821 120.754 36.9868 65.3105 -262.923 PRESSAVG: 786800 5.04469 -36.0534 -24.4753 -36.0534 34.9358 10.7254 -24.4753 10.7254 -37.6509 GPRESSAVG: 786800 4.88783 -37.561 -24.9944 -32.5241 34.1284 9.84342 -24.6825 11.3312 -36.6457 TIMING: 786800 CPU: 2344.61, 0.00296627/step Wall: 2344.61, 0.00296627/step, 3.47152 hours remaining, 207.464844 MB of memory in use. ENERGY: 786800 730.0031 2059.4452 1900.7506 110.4049 -206247.3486 17515.0399 0.0000 0.0000 34161.0482 -149770.6567 298.3369 -183931.7049 -149671.2342 298.6075 -218.0767 -188.9641 556854.5012 0.7765 0.7902 PRESSURE: 787000 21.2893 -60.2629 109.92 -60.2636 232.784 99.6062 109.919 99.6082 59.51 GPRESSURE: 787000 37.03 -65.2751 2.15101 2.69699 247.08 59.7401 152.368 169.082 130.732 PRESSAVG: 787000 10.1442 -1.93698 -38.7084 -1.93703 16.5157 41.9501 -38.7083 41.9501 -0.553352 GPRESSAVG: 787000 10.1679 1.41701 -38.0561 -5.48702 16.5739 44.47 -38.5562 42.767 -0.0187358 TIMING: 787000 CPU: 2345.21, 0.00296005/step Wall: 2345.21, 0.00296005/step, 3.46408 hours remaining, 207.464844 MB of memory in use. ENERGY: 787000 739.2363 2040.5271 1913.9018 111.2322 -206682.5370 17985.6099 0.0000 0.0000 34052.7472 -149839.2826 297.3911 -183892.0297 -149736.9041 298.3125 104.5277 138.2807 555759.5914 8.7022 8.9077 PRESSURE: 787200 289.47 117.417 -94.5489 117.418 136.089 156.027 -94.5482 156.027 -156.31 GPRESSURE: 787200 287.788 104.273 -73.3922 162.142 206.905 197.518 -94.1395 153.982 -124.565 PRESSAVG: 787200 -28.441 33.9453 23.4364 33.9453 101.904 34.4628 23.4364 34.4627 -79.0185 GPRESSAVG: 787200 -29.026 32.3695 23.5685 34.4068 101.982 30.6341 23.0973 33.7238 -79.0166 TIMING: 787200 CPU: 2345.8, 0.00295069/step Wall: 2345.8, 0.00295069/step, 3.45296 hours remaining, 207.464844 MB of memory in use. ENERGY: 787200 717.9679 2050.9577 1931.7729 113.5234 -206635.6602 18202.9363 0.0000 0.0000 34013.0071 -149605.4949 297.0441 -183618.5020 -149511.6300 297.3383 89.7496 123.3762 555872.9730 -1.8519 -2.0201 PRESSURE: 787400 -101.861 -97.5697 36.8579 -97.57 -11.9716 -89.0744 36.8579 -89.0754 216.813 GPRESSURE: 787400 3.70566 -109.071 5.77286 -104.562 -24.2556 -49.5773 27.0014 -81.1131 233.679 PRESSAVG: 787400 53.8491 42.1693 9.22101 42.1694 22.669 2.02862 9.22103 2.02865 -74.3868 GPRESSAVG: 787400 53.7784 40.8605 10.6522 45.1227 22.6722 4.27091 10.3803 1.89591 -74.6084 TIMING: 787400 CPU: 2346.39, 0.00298448/step Wall: 2346.39, 0.00298448/step, 3.49233 hours remaining, 207.464844 MB of memory in use. ENERGY: 787400 752.3608 1979.0885 1902.3450 119.2031 -206345.7637 17914.9941 0.0000 0.0000 34077.6400 -149600.1322 297.6085 -183677.7722 -149500.5143 297.5334 34.3266 71.0432 557827.9608 0.7104 0.6141 PRESSURE: 787600 -118.508 86.6294 123.895 86.6281 -55.4786 -80.6537 123.895 -80.6528 183.259 GPRESSURE: 787600 -33.4414 175.496 166.701 47.9893 -29.2209 -58.9462 84.1408 -54.4234 169.511 PRESSAVG: 787600 -9.43442 38.9307 41.9247 38.9307 54.1159 -20.4502 41.9247 -20.4503 -27.2324 GPRESSAVG: 787600 -8.71616 38.5946 41.398 36.112 54.316 -20.6015 39.7115 -20.9928 -28.0131 TIMING: 787600 CPU: 2346.99, 0.00299138/step Wall: 2346.99, 0.00299138/step, 3.50024 hours remaining, 207.464844 MB of memory in use. ENERGY: 787600 737.7676 2089.4138 1904.5456 104.2103 -206467.7626 17851.0143 0.0000 0.0000 34044.1640 -149736.6470 297.3162 -183780.8110 -149633.5637 297.8255 3.0909 35.6164 557031.7840 5.8164 5.8622 PRESSURE: 787800 -360.527 -112.062 30.546 -112.062 -118.172 -90.5113 30.5463 -90.512 -0.0594525 GPRESSURE: 787800 -336.675 -24.7331 -37.9784 -89.0293 -101.018 -106.318 86.5139 -134.408 48.6273 PRESSAVG: 787800 -65.4695 -18.1031 21.8436 -18.1031 59.1153 23.0611 21.8435 23.061 31.8511 GPRESSAVG: 787800 -64.8319 -15.9015 22.1934 -19.0594 58.0394 22.8828 24.0554 21.9615 32.1455 TIMING: 787800 CPU: 2347.59, 0.0029775/step Wall: 2347.59, 0.0029775/step, 3.48384 hours remaining, 207.464844 MB of memory in use. ENERGY: 787800 732.6849 2092.7565 1919.5112 99.1026 -206670.7891 17784.7497 0.0000 0.0000 34209.6249 -149832.3594 298.7612 -184041.9843 -149733.0934 297.7145 -159.5863 -129.6884 559306.4602 8.4990 8.4510 PRESSURE: 788000 44.5113 24.8913 54.259 24.8923 5.00558 -8.92993 54.2598 -8.9309 104.462 GPRESSURE: 788000 98.6269 -15.4365 34.2546 -9.30816 5.78978 35.0912 127.172 -46.6336 142.191 PRESSAVG: 788000 -35.5909 60.0766 34.1142 60.0766 3.66765 -3.75528 34.1141 -3.75522 -21.984 GPRESSAVG: 788000 -37.3939 60.0154 34.309 61.1753 5.13763 -4.72895 31.754 -0.846068 -21.9249 TIMING: 788000 CPU: 2348.17, 0.00293559/step Wall: 2348.17, 0.00293559/step, 3.43464 hours remaining, 207.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 788000 741.1265 2111.6700 1933.4624 99.0088 -206838.7480 18048.1930 0.0000 0.0000 33964.1057 -149941.1816 296.6170 -183905.2874 -149847.5199 297.3285 51.3262 82.2025 557471.9105 -17.9691 -18.0604 PRESSURE: 788200 -52.9077 193.621 -146.234 193.622 73.3584 47.2375 -146.235 47.2361 -106.443 GPRESSURE: 788200 -9.52129 241.412 -128.707 99.0684 51.879 39.0496 -206.587 -8.34675 -33.9624 PRESSAVG: 788200 -22.1147 29.0375 -8.39643 29.0375 44.8953 -34.7232 -8.39643 -34.723 -26.0371 GPRESSAVG: 788200 -20.6169 27.2996 -9.03137 29.4861 44.4289 -33.2287 -8.54608 -36.7674 -26.191 TIMING: 788200 CPU: 2348.76, 0.00294587/step Wall: 2348.76, 0.00294587/step, 3.4465 hours remaining, 207.464844 MB of memory in use. ENERGY: 788200 759.2362 2035.9208 1924.1708 111.3885 -206931.3642 18099.3520 0.0000 0.0000 34021.2488 -149980.0472 297.1160 -184001.2960 -149880.8449 296.8466 -28.6640 2.7984 557153.6923 -1.0855 -0.7930 LDB: ============= START OF LOAD BALANCING ============== 2352.31 LDB: ============== END OF LOAD BALANCING =============== 2352.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2352.31 LDB: ============= START OF LOAD BALANCING ============== 2352.61 LDB: Largest compute 4796 load 0.029753 is 25.2% of average load 0.118061 LDB: Average compute 0.001726 is 1.5% of average load 0.118061 LDB: TIME 2352.61 LOAD: AVG 0.118061 MAX 0.205097 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.496 MB LDB: TIME 2352.61 LOAD: AVG 0.118061 MAX 0.205097 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.496 MB LDB: TIME 2352.61 LOAD: AVG 0.118061 MAX 0.205097 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.496 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2352.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2352.62 PRESSURE: 788400 -98.213 -62.5835 -133.401 -62.5844 -395.872 164.573 -133.403 164.574 -275.922 GPRESSURE: 788400 -87.4251 24.9469 -135.161 -157.028 -341.456 204.042 -132.763 121.2 -255.406 PRESSAVG: 788400 -5.58894 -22.9579 -16.6296 -22.958 19.2858 -6.46405 -16.6296 -6.46402 -28.815 GPRESSAVG: 788400 -5.86314 -22.372 -16.5471 -22.6643 18.698 -9.04741 -16.0451 -4.77038 -28.6217 TIMING: 788400 CPU: 2349.37, 0.00301814/step Wall: 2349.37, 0.00301814/step, 3.53088 hours remaining, 206.300781 MB of memory in use. ENERGY: 788400 757.2443 2064.0068 1949.2893 115.4215 -206693.9677 17577.7192 0.0000 0.0000 34100.0573 -150130.2294 297.8043 -184230.2867 -150030.6244 296.8932 -256.6691 -228.0958 557191.3566 -5.0394 -5.2623 PRESSURE: 788600 93.036 5.85789 145.769 5.85857 -91.0196 59.3309 145.769 59.3291 -115.618 GPRESSURE: 788600 76.315 -23.6161 143.637 -6.63542 -20.487 56.9799 107.699 107.315 -68.3705 PRESSAVG: 788600 83.1177 -44.4757 1.82234 -44.4757 -45.8836 5.84813 1.82227 5.84803 -55.7604 GPRESSAVG: 788600 82.8455 -45.0183 2.3555 -44.3821 -46.6194 7.04439 2.15076 5.73517 -55.057 TIMING: 788600 CPU: 2349.96, 0.00295169/step Wall: 2349.96, 0.00295169/step, 3.45298 hours remaining, 206.300781 MB of memory in use. ENERGY: 788600 760.3331 2041.2084 1930.9183 101.5819 -206732.7737 17984.4079 0.0000 0.0000 33903.7358 -150010.5885 296.0898 -183914.3243 -149913.4517 296.7098 -37.8672 -4.1808 555336.3406 -6.1754 -6.2770 PRESSURE: 788800 64.3083 -65.314 -152.309 -65.3136 126.671 31.9935 -152.309 31.9901 -186.009 GPRESSURE: 788800 95.2708 -134.749 -202.965 39.5564 155.186 42.747 -89.1178 29.4444 -152.832 PRESSAVG: 788800 -8.90052 17.9356 20.0441 17.9356 91.2517 -11.8298 20.0441 -11.83 -39.0562 GPRESSAVG: 788800 -9.9831 15.8112 19.5036 17.9707 92.1391 -10.1944 20.3607 -12.1333 -38.7383 TIMING: 788800 CPU: 2350.55, 0.00294684/step Wall: 2350.55, 0.00294684/step, 3.44714 hours remaining, 206.300781 MB of memory in use. ENERGY: 788800 738.7347 2031.2300 1919.3629 108.0167 -207090.1278 18059.4343 0.0000 0.0000 34040.7983 -150192.5509 297.2868 -184233.3492 -150097.1550 297.0356 1.6568 32.5416 556802.5156 14.4316 14.4726 PRESSURE: 789000 148.196 27.5337 -153.344 27.5341 54.83 -115.715 -153.346 -115.717 -149.329 GPRESSURE: 789000 185.62 90.3394 -132.283 -8.10734 75.9512 -198.79 -131.744 -26.6478 -95.1817 PRESSAVG: 789000 57.441 -26.6577 -47.6743 -26.6577 -29.0861 26.3988 -47.6743 26.3988 -79.9271 GPRESSAVG: 789000 57.5215 -25.8245 -47.4503 -28.3477 -29.3849 24.6518 -46.6851 26.3623 -79.9645 TIMING: 789000 CPU: 2351.13, 0.00294286/step Wall: 2351.13, 0.00294286/step, 3.44233 hours remaining, 206.300781 MB of memory in use. ENERGY: 789000 712.2096 2097.9553 1947.0255 94.6406 -206561.3672 17812.7535 0.0000 0.0000 33899.3774 -149997.4053 296.0517 -183896.7827 -149898.0720 296.9346 17.8989 55.4631 556196.7502 -17.1907 -17.2760 PRESSURE: 789200 -379.952 -81.0061 -8.2525 -81.0054 -296.905 -102.595 -8.25338 -102.594 -527.872 GPRESSURE: 789200 -374.87 -149.628 -112.063 -89.0387 -296.596 -29.4424 -55.4127 -188.889 -428.834 PRESSAVG: 789200 38.5804 -2.45135 -41.2863 -2.45122 -11.2968 -26.3636 -41.2863 -26.3636 17.4428 GPRESSAVG: 789200 39.0005 -1.94338 -40.826 -0.645587 -12.4174 -28.4581 -44.6685 -24.431 18.4405 TIMING: 789200 CPU: 2351.72, 0.00294802/step Wall: 2351.72, 0.00294802/step, 3.4482 hours remaining, 206.300781 MB of memory in use. ENERGY: 789200 783.1095 2057.7262 1922.0877 120.3837 -206147.8459 17410.1162 0.0000 0.0000 33980.4858 -149873.9367 296.7600 -183854.4225 -149780.7996 296.8616 -401.5764 -366.7666 558164.8651 14.9088 15.0079 PRESSURE: 789400 -127.549 -101.187 -64.3316 -101.188 -94.0026 -125.104 -64.3308 -125.105 188.449 GPRESSURE: 789400 -81.3201 -98.084 -41.6174 -125.863 -121.206 -64.7972 -122.564 -176.277 275.365 PRESSAVG: 789400 26.7888 -8.42898 -23.5655 -8.42899 -27.195 19.674 -23.5655 19.674 4.53724 GPRESSAVG: 789400 27.781 -9.15008 -25.1509 -10.1284 -26.6964 23.0138 -22.3604 17.0908 3.45446 TIMING: 789400 CPU: 2352.32, 0.00296607/step Wall: 2352.32, 0.00296607/step, 3.46914 hours remaining, 206.300781 MB of memory in use. ENERGY: 789400 793.1882 2056.2579 1926.6887 114.0225 -206777.4635 17990.4737 0.0000 0.0000 34153.2960 -149743.5366 298.2692 -183896.8326 -149645.9973 297.3941 -11.0341 24.2797 556771.7609 1.3770 1.5130 PRESSURE: 789600 225.241 -79.1461 42.5559 -79.1459 -110.803 64.828 42.5567 64.8267 122.536 GPRESSURE: 789600 224.222 -179.771 31.519 -116.355 -69.0979 80.3013 4.96371 85.7796 169.628 PRESSAVG: 789600 5.8694 -23.8966 1.81746 -23.8965 -78.8066 0.966252 1.81745 0.966207 44.1655 GPRESSAVG: 789600 5.82286 -21.5691 2.414 -24.5749 -78.225 -0.409951 1.91359 3.43247 43.8669 TIMING: 789600 CPU: 2352.91, 0.00294679/step Wall: 2352.91, 0.00294679/step, 3.44643 hours remaining, 206.300781 MB of memory in use. ENERGY: 789600 758.5537 2118.3953 1948.8658 111.7175 -206483.2917 17849.1645 0.0000 0.0000 34139.8423 -149556.7527 298.1517 -183696.5950 -149460.3657 298.1502 78.9916 108.2508 555734.4337 -9.5906 -9.5118 PRESSURE: 789800 106.074 17.7379 -174.537 17.7369 358.908 -136.437 -174.536 -136.438 30.8228 GPRESSURE: 789800 94.9788 -46.1742 -135.157 53.6154 345.856 -177.91 -218.18 -171.8 149.547 PRESSAVG: 789800 13.5151 -82.2378 11.1944 -82.2379 48.3126 33.7395 11.1945 33.7396 -57.2778 GPRESSAVG: 789800 12.7352 -81.8778 10.3995 -81.1314 48.3272 33.7335 10.2319 32.0894 -56.1349 TIMING: 789800 CPU: 2353.5, 0.00296514/step Wall: 2353.5, 0.00296514/step, 3.46773 hours remaining, 206.300781 MB of memory in use. ENERGY: 789800 742.1365 2128.2920 1953.3179 114.0688 -206811.1576 18091.5622 0.0000 0.0000 34167.1296 -149614.6505 298.3900 -183781.7801 -149519.3628 297.8483 165.2683 196.7938 558355.2517 1.5166 1.6425 PRESSURE: 790000 -141.285 -111.807 -64.1937 -111.806 153.797 44.3659 -64.1959 44.3649 127.607 GPRESSURE: 790000 -135.604 -148.181 -13.5405 -56.2502 184.377 71.5836 -172.004 42.8756 184.209 PRESSAVG: 790000 -3.4816 -54.3569 -6.60385 -54.3569 -22.0751 16.8056 -6.60384 16.8056 33.9236 GPRESSAVG: 790000 -4.25266 -55.4482 -5.40765 -54.893 -20.2107 16.5625 -4.2577 16.926 32.7791 TIMING: 790000 CPU: 2354.09, 0.00295068/step Wall: 2354.09, 0.00295068/step, 3.45066 hours remaining, 206.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 790000 756.2199 2109.2060 1925.3958 113.3130 -206359.5705 17915.4910 0.0000 0.0000 34066.0655 -149473.8793 297.5074 -183539.9448 -149373.2097 298.3460 46.7063 77.6607 557963.6592 2.7890 2.7719 PRESSURE: 790200 -23.8782 -182.113 -254.768 -182.114 -199.713 153.51 -254.769 153.512 -387.462 GPRESSURE: 790200 2.74766 -166.104 -277.229 -167.992 -166.793 188.807 -209.494 78.9698 -363.943 PRESSAVG: 790200 4.26633 15.5381 -29.4038 15.5381 17.4912 28.9673 -29.4038 28.9672 -88.2395 GPRESSAVG: 790200 4.83788 16.4914 -29.0738 16.7894 16.1796 30.0067 -29.6472 27.5958 -87.7495 TIMING: 790200 CPU: 2354.69, 0.0029809/step Wall: 2354.69, 0.0029809/step, 3.48583 hours remaining, 206.300781 MB of memory in use. ENERGY: 790200 758.7435 2124.4059 1946.8515 112.0366 -206180.6982 17591.6074 0.0000 0.0000 34175.1801 -149471.8732 298.4603 -183647.0533 -149380.3716 297.7665 -203.6847 -175.9962 558095.8315 -22.1607 -22.2440 PRESSURE: 790400 -173.898 179.939 34.6813 179.938 -97.7489 67.1331 34.6811 67.134 -66.178 GPRESSURE: 790400 -99.4738 141.82 -48.1559 123.403 -121.87 83.0541 111.363 36.0628 -34.2983 PRESSAVG: 790400 -50.4504 -49.4429 -35.912 -49.4429 22.8295 3.85516 -35.912 3.85524 41.4642 GPRESSAVG: 790400 -49.5398 -51.5287 -35.9778 -49.2135 23.591 4.25371 -35.2672 5.10459 40.7699 TIMING: 790400 CPU: 2355.27, 0.00294252/step Wall: 2355.27, 0.00294252/step, 3.44078 hours remaining, 206.300781 MB of memory in use. ENERGY: 790400 805.2537 2127.4720 1940.5040 116.4108 -206539.6878 17864.4190 0.0000 0.0000 34434.7368 -149250.8914 300.7271 -183685.6283 -149154.9163 298.9539 -112.6084 -85.2142 557062.7105 4.6144 4.9404 PRESSURE: 790600 -132.88 -76.4103 -94.9194 -76.4087 153.03 21.2708 -94.9189 21.2717 269.646 GPRESSURE: 790600 -61.7432 -79.2961 -19.9564 -83.5297 194.807 -30.5484 -191.925 101.383 247.878 PRESSAVG: 790600 22.63 -68.054 -33.8374 -68.0539 23.0908 -8.43464 -33.8374 -8.43449 15.6086 GPRESSAVG: 790600 22.6237 -67.4684 -33.5141 -68.486 22.8592 -9.65257 -34.3727 -6.4927 15.4154 TIMING: 790600 CPU: 2355.86, 0.00294389/step Wall: 2355.86, 0.00294389/step, 3.44222 hours remaining, 206.300781 MB of memory in use. ENERGY: 790600 700.7591 2152.0477 1945.1720 107.8083 -206009.3048 17645.4738 0.0000 0.0000 34379.6594 -149078.3845 300.2461 -183458.0439 -148987.3759 298.8269 96.5987 126.9808 557814.8803 20.4432 20.2994 PRESSURE: 790800 252.626 1.85902 -307.207 1.85965 35.7186 25.5937 -307.206 25.5919 -203.016 GPRESSURE: 790800 287.272 33.7834 -319.44 -40.9579 69.9906 -74.3722 -279.668 73.8879 -164.921 PRESSAVG: 790800 44.9333 -45.8576 -12.3492 -45.8576 -62.6407 11.884 -12.3493 11.8841 9.91187 GPRESSAVG: 790800 45.323 -46.3219 -11.9036 -46.7971 -63.2822 12.9308 -12.613 9.42827 10.1605 TIMING: 790800 CPU: 2356.46, 0.00297678/step Wall: 2356.46, 0.00297678/step, 3.48052 hours remaining, 206.300781 MB of memory in use. ENERGY: 790800 734.1577 2114.9319 1946.7569 86.6593 -205828.2866 17719.5075 0.0000 0.0000 34254.8920 -148971.3813 299.1565 -183226.2733 -148865.9335 299.6858 28.4427 64.1137 557157.1884 -2.5985 -2.5996 PRESSURE: 791000 -197.391 184.278 48.6619 184.277 -54.1282 69.3599 48.6618 69.3602 184.267 GPRESSURE: 791000 -97.2214 149.548 41.4309 234.598 -55.4927 114.355 -40.5073 92.0758 184.637 PRESSAVG: 791000 17.3312 17.1246 -54.789 17.1245 -53.7945 44.5161 -54.789 44.5162 0.681265 GPRESSAVG: 791000 16.518 16.8635 -55.991 19.0465 -53.4087 45.344 -56.1876 47.0886 0.80428 TIMING: 791000 CPU: 2357.05, 0.00296651/step Wall: 2357.05, 0.00296651/step, 3.46835 hours remaining, 206.300781 MB of memory in use. ENERGY: 791000 729.9514 2088.4348 1927.8081 104.9707 -206046.5970 17773.3297 0.0000 0.0000 34403.3405 -149018.7617 300.4529 -183422.1022 -148917.8302 299.4530 -22.4177 10.6411 558297.9697 -11.9273 -12.0288 PRESSURE: 791200 199.216 78.9734 203.036 78.9741 -146.986 139.706 203.036 139.706 148.664 GPRESSURE: 791200 214.877 76.2959 181.986 119.983 -54.9988 128.428 190.479 104.473 124.408 PRESSAVG: 791200 -3.43819 31.7473 -19.7431 31.7473 -30.6262 -21.4076 -19.7432 -21.4076 -11.7761 GPRESSAVG: 791200 -3.83721 31.9168 -17.7521 31.7188 -30.2078 -20.1407 -19.4158 -24.6628 -11.9892 TIMING: 791200 CPU: 2357.64, 0.0029607/step Wall: 2357.64, 0.0029607/step, 3.46139 hours remaining, 206.300781 MB of memory in use. ENERGY: 791200 751.3095 2068.2365 1932.7627 124.1258 -205944.1046 17768.3671 0.0000 0.0000 34265.0797 -149034.2234 299.2455 -183299.3030 -148940.2321 300.0781 66.9644 94.7621 558488.4871 -15.2802 -15.3447 PRESSURE: 791400 -52.1202 81.5526 69.8006 81.5529 79.5404 -180.45 69.8008 -180.453 167.028 GPRESSURE: 791400 -9.3341 54.3722 38.499 79.554 121.266 -164.705 125.708 -194.091 190.934 PRESSAVG: 791400 -0.663779 -4.42265 -1.56808 -4.42254 -4.56204 19.2275 -1.56809 19.2275 20.9514 GPRESSAVG: 791400 -0.0921532 -4.59432 -2.31265 -4.82521 -5.28127 17.9725 -1.86259 21.7659 21.2055 TIMING: 791400 CPU: 2358.24, 0.00296559/step Wall: 2358.24, 0.00296559/step, 3.46694 hours remaining, 206.300781 MB of memory in use. ENERGY: 791400 774.7184 2114.6453 1934.3519 110.3006 -206414.6360 18059.4262 0.0000 0.0000 34343.8888 -149077.3048 299.9337 -183421.1936 -148986.7464 299.7629 64.8162 100.9550 558705.0215 5.2419 5.2774 PRESSURE: 791600 -65.7817 37.0409 -46.7327 37.0421 23.4688 118.964 -46.7313 118.965 -120.224 GPRESSURE: 791600 -75.325 67.0834 21.6235 91.6387 83.0658 33.0532 -139.087 98.5711 -82.429 PRESSAVG: 791600 -107.874 2.36324 -0.373776 2.36331 14.0863 5.17852 -0.373821 5.17856 75.1494 GPRESSAVG: 791600 -107.662 3.24971 0.181394 2.81011 13.6637 4.62633 -0.173643 4.95147 75.2559 TIMING: 791600 CPU: 2358.83, 0.00294642/step Wall: 2358.83, 0.00294642/step, 3.44437 hours remaining, 206.300781 MB of memory in use. ENERGY: 791600 755.5140 2130.5493 1945.4712 112.1500 -205966.7309 17812.6925 0.0000 0.0000 34251.0917 -148959.2623 299.1233 -183210.3540 -148859.5739 300.2555 -54.1789 -24.8961 559545.0164 -6.2127 -6.2476 PRESSURE: 791800 -298.998 -56.1453 109.38 -56.1453 -82.1352 -126.434 109.38 -126.434 -168.506 GPRESSURE: 791800 -271.366 -97.7616 109.161 -28.8861 -70.904 -184.545 76.9643 -108.735 -101.997 PRESSAVG: 791800 19.7808 -31.0761 56.3504 -31.0761 12.4659 0.588609 56.3503 0.588485 2.64732 GPRESSAVG: 791800 20.202 -31.1828 55.8021 -32.2753 14.2243 -1.2744 57.809 2.18239 0.410303 TIMING: 791800 CPU: 2359.42, 0.00297399/step Wall: 2359.42, 0.00297399/step, 3.47642 hours remaining, 206.300781 MB of memory in use. ENERGY: 791800 765.7595 2153.6095 1954.7718 108.6991 -205686.5887 17510.2719 0.0000 0.0000 34410.7986 -148782.6783 300.5181 -183193.4769 -148686.8628 299.6214 -183.2130 -148.0891 558105.8516 11.6313 11.6122 PRESSURE: 792000 217.418 -14.3095 99.5963 -14.3099 -128.864 82.2154 99.5945 82.2157 -52.5652 GPRESSURE: 792000 233.366 68.568 153.684 -32.1256 -124.264 0.517289 53.0889 76.3096 15.7351 PRESSAVG: 792000 30.823 -10.9507 9.83086 -10.9507 -20.3028 -46.3544 9.83078 -46.3544 20.0824 GPRESSAVG: 792000 29.7828 -10.5763 8.56777 -10.4908 -21.634 -44.3399 9.16066 -47.9092 22.0157 TIMING: 792000 CPU: 2360.01, 0.00296563/step Wall: 2360.01, 0.00296563/step, 3.46649 hours remaining, 206.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 792000 699.5681 2084.3789 1932.6634 110.7950 -205847.5844 17774.0079 0.0000 0.0000 34134.4390 -149111.7321 298.1045 -183246.1712 -149010.7494 299.3017 11.9964 41.6124 558424.8518 10.2009 10.0548 PRESSURE: 792200 216.059 -23.694 15.9394 -23.6948 -129.694 -52.5421 15.9383 -52.5431 -229.574 GPRESSURE: 792200 181.38 28.8036 -105.949 -122.497 -70.5529 -115.156 32.0791 -20.3863 -159.952 PRESSAVG: 792200 120.968 -8.3325 34.8323 -8.33249 -12.1261 18.3823 34.8322 18.3823 -109.132 GPRESSAVG: 792200 121.242 -6.93804 35.962 -10.397 -11.1849 19.0575 33.9572 17.2073 -110.372 TIMING: 792200 CPU: 2360.61, 0.00295897/step Wall: 2360.61, 0.00295897/step, 3.45854 hours remaining, 206.300781 MB of memory in use. ENERGY: 792200 772.1969 2112.7207 1910.5949 101.1233 -205912.5038 17623.2718 0.0000 0.0000 34059.5637 -149333.0326 297.4506 -183392.5963 -149245.3692 299.0820 -47.7363 -16.3749 557311.6179 -0.0967 -0.1048 LDB: ============= START OF LOAD BALANCING ============== 2364.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2364.15 LDB: =============== DONE WITH MIGRATION ================ 2364.16 LDB: ============= START OF LOAD BALANCING ============== 2364.45 LDB: Largest compute 4796 load 0.030307 is 25.7% of average load 0.118133 LDB: Average compute 0.001727 is 1.5% of average load 0.118133 LDB: TIME 2364.45 LOAD: AVG 0.118133 MAX 0.204097 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.332 MB LDB: TIME 2364.45 LOAD: AVG 0.118133 MAX 0.204097 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.332 MB LDB: TIME 2364.45 LOAD: AVG 0.118133 MAX 0.204097 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.332 MB LDB: ============== END OF LOAD BALANCING =============== 2364.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2364.46 PRESSURE: 792400 -2.23199 119.325 28.344 119.325 -83.5174 -9.91304 28.3428 -9.91286 -511.875 GPRESSURE: 792400 52.5697 177.499 30.6611 -3.06484 -32.4999 -19.456 17.7972 -60.1484 -509.393 PRESSAVG: 792400 31.164 5.96963 -28.1914 5.96954 -1.2384 -22.8931 -28.1915 -22.893 -12.9827 GPRESSAVG: 792400 30.3662 6.31261 -27.586 6.4925 -1.87833 -23.3195 -28.3816 -22.2172 -11.7765 TIMING: 792400 CPU: 2361.21, 0.00302288/step Wall: 2361.21, 0.00302288/step, 3.53307 hours remaining, 207.531250 MB of memory in use. ENERGY: 792400 755.8498 2142.4538 1918.7591 104.9239 -205799.0467 17441.0982 0.0000 0.0000 34276.9510 -149159.0110 299.3491 -183435.9620 -149059.5684 298.9861 -199.2081 -163.1077 559546.7795 5.6477 5.5705 PRESSURE: 792600 90.2461 46.3598 -79.5052 46.3602 101.968 -32.1952 -79.504 -32.1956 210.269 GPRESSURE: 792600 100.759 32.2517 -30.0191 59.9537 106.972 -52.307 -69.2453 -11.475 288.1 PRESSAVG: 792600 -26.6888 21.8034 1.67511 21.8034 -60.1109 -8.4832 1.67506 -8.48326 118.22 GPRESSAVG: 792600 -25.1915 21.3953 2.48542 22.6126 -61.2461 -8.62959 1.09424 -5.83708 118.143 TIMING: 792600 CPU: 2361.81, 0.00297346/step Wall: 2361.81, 0.00297346/step, 3.47515 hours remaining, 207.531250 MB of memory in use. ENERGY: 792600 719.2238 2087.0923 1924.4215 123.2791 -206755.1336 18240.0143 0.0000 0.0000 34196.5861 -149464.5165 298.6473 -183661.1027 -149361.7171 299.0387 134.1611 165.2770 557867.8452 10.4736 10.5683 PRESSURE: 792800 104.41 -154.194 161.195 -154.193 11.8402 -160.226 161.194 -160.226 270.57 GPRESSURE: 792800 171.886 -185.776 191.455 -116.037 1.40186 -195.222 128.735 -101.571 314.16 PRESSAVG: 792800 41.1238 0.837416 -11.1153 0.837409 -14.2646 18.645 -11.1152 18.6449 -4.86826 GPRESSAVG: 792800 40.4434 0.703822 -12.9802 2.32927 -14.0583 16.9847 -9.3552 18.8596 -4.13645 TIMING: 792800 CPU: 2362.4, 0.00295362/step Wall: 2362.4, 0.00295362/step, 3.4518 hours remaining, 207.531250 MB of memory in use. ENERGY: 792800 712.6349 2118.0335 1943.7054 125.0644 -206453.3561 17971.7877 0.0000 0.0000 34272.1830 -149309.9473 299.3075 -183582.1304 -149213.9245 298.8835 128.9401 162.4826 557119.8613 7.3303 7.4162 PRESSURE: 793000 -106.51 40.0936 31.6911 40.0927 -239.026 218.95 31.6915 218.95 -189.748 GPRESSURE: 793000 -61.1343 108.04 -47.6411 7.87057 -172.462 181.056 29.3629 236.146 -211.045 PRESSAVG: 793000 -0.681896 -0.949165 72.356 -0.949153 -44.254 -5.5853 72.356 -5.58527 53.6523 GPRESSAVG: 793000 -0.602098 -2.75294 72.7948 -1.35372 -44.5346 -6.09874 72.4179 -5.37811 53.5914 TIMING: 793000 CPU: 2362.99, 0.00295545/step Wall: 2362.99, 0.00295545/step, 3.45377 hours remaining, 207.531250 MB of memory in use. ENERGY: 793000 766.8472 2107.8498 1916.1526 112.1244 -206328.6668 17808.0411 0.0000 0.0000 34380.0832 -149237.5685 300.2498 -183617.6517 -149148.6621 298.6921 -178.4282 -148.2136 558388.6861 2.9055 2.8182 PRESSURE: 793200 -5.51012 -99.8992 136.88 -99.8997 -38.3222 145.254 136.88 145.255 -214.531 GPRESSURE: 793200 23.9281 -110.514 145.186 -96.6635 -43.5148 162.45 176.267 132.712 -156.48 PRESSAVG: 793200 7.333 -37.5017 50.852 -37.5018 -0.505303 14.6224 50.852 14.6223 2.12893 GPRESSAVG: 793200 7.23835 -34.9694 51.8819 -37.9537 -0.798916 16.7703 48.7945 12.8638 2.70555 TIMING: 793200 CPU: 2363.58, 0.00296429/step Wall: 2363.58, 0.00296429/step, 3.46393 hours remaining, 207.531250 MB of memory in use. ENERGY: 793200 746.4799 2098.9261 1964.4856 112.6252 -205762.7216 17575.0250 0.0000 0.0000 34316.6964 -148948.4835 299.6962 -183265.1799 -148851.3130 299.9410 -86.1212 -58.6890 558420.2364 2.9855 3.0483 PRESSURE: 793400 162.275 -134.082 74.7056 -134.08 74.8919 158.608 74.7066 158.608 242.927 GPRESSURE: 793400 222.579 -152.226 63.999 -74.3856 108.703 178.148 77.712 72.2824 246.155 PRESSAVG: 793400 53.1657 11.0148 38.1266 11.0149 43.7925 -4.40593 38.1266 -4.40608 -33.4125 GPRESSAVG: 793400 53.1729 9.81202 36.9693 11.6459 44.7166 -3.58359 37.7217 -5.37939 -34.4748 TIMING: 793400 CPU: 2364.18, 0.00297807/step Wall: 2364.18, 0.00297807/step, 3.47988 hours remaining, 207.531250 MB of memory in use. ENERGY: 793400 741.2689 1999.7275 1939.5857 92.9937 -206254.3754 17992.3184 0.0000 0.0000 34368.4736 -149120.0076 300.1484 -183488.4813 -149030.8384 300.0389 160.0311 192.4792 556707.9130 21.1819 21.1382 PRESSURE: 793600 -337.422 -89.4467 69.0989 -89.4469 73.8872 -14.1081 69.0984 -14.1093 -279.768 GPRESSURE: 793600 -275.275 -62.1919 129.118 -73.4956 11.4448 -67.5237 25.4574 39.7681 -182.714 PRESSAVG: 793600 -9.57319 -35.2599 27.0934 -35.26 -31.0247 -50.6641 27.0934 -50.6641 46.671 GPRESSAVG: 793600 -9.89835 -34.9342 28.0169 -33.5169 -31.6407 -51.9894 29.2757 -49.2059 48.0542 TIMING: 793600 CPU: 2364.77, 0.00297632/step Wall: 2364.77, 0.00297632/step, 3.47766 hours remaining, 207.531250 MB of memory in use. ENERGY: 793600 711.6299 2125.8026 1934.0950 105.8163 -206017.2690 17537.7128 0.0000 0.0000 34273.8157 -149328.3967 299.3218 -183602.2123 -149233.2043 299.7451 -181.1011 -148.8481 557752.4626 2.0244 2.1717 PRESSURE: 793800 29.5558 87.3313 80.7561 87.331 -35.4645 216.861 80.7552 216.862 4.21748 GPRESSURE: 793800 93.6709 154.137 77.4819 6.62812 -40.8685 172.904 92.4026 142.192 29.0215 PRESSAVG: 793800 13.8681 -4.09618 4.5561 -4.09631 45.6328 -20.4608 4.55599 -20.4607 -45.0742 GPRESSAVG: 793800 15.0086 -3.67515 3.27666 -7.15056 45.55 -18.609 3.87333 -20.8268 -45.7398 TIMING: 793800 CPU: 2365.37, 0.00298158/step Wall: 2365.37, 0.00298158/step, 3.48364 hours remaining, 207.531250 MB of memory in use. ENERGY: 793800 727.7959 2081.7855 1938.1251 124.6348 -206364.5819 17766.8245 0.0000 0.0000 34296.4109 -149429.0054 299.5191 -183725.4163 -149331.7653 299.5499 -0.5637 27.2746 557268.4214 4.8089 4.9396 PRESSURE: 794000 -109.488 -162.426 12.0756 -162.425 -78.2193 -38.0811 12.0742 -38.083 -221.758 GPRESSURE: 794000 -52.2595 -201.981 65.3579 -155.643 -28.1872 -92.2376 68.831 -14.9893 -224.68 PRESSAVG: 794000 49.0109 -37.7614 72.333 -37.7613 -45.788 15.0084 72.3329 15.0082 -9.6021 GPRESSAVG: 794000 50.0256 -37.12 72.3075 -36.2369 -45.1087 14.7354 74.6785 15.8476 -11.2739 TIMING: 794000 CPU: 2365.96, 0.00297581/step Wall: 2365.96, 0.00297581/step, 3.47673 hours remaining, 207.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 794000 734.2909 2094.5347 1924.6338 107.1475 -206233.6581 17742.9679 0.0000 0.0000 34089.7863 -149540.2969 297.7146 -183630.0832 -149445.5908 298.4945 -136.4884 -101.7090 558214.9710 -2.1264 -2.1190 PRESSURE: 794200 135.013 -33.5553 43.0745 -33.5561 -108.823 -97.9942 43.0748 -97.9947 -160.18 GPRESSURE: 794200 102.191 -28.6288 -4.16007 -75.6215 -23.3074 -136.633 37.9566 50.6788 -114.289 PRESSAVG: 794200 58.446 38.3044 48.6421 38.3045 2.74986 32.6123 48.642 32.6122 -36.68 GPRESSAVG: 794200 57.2646 38.4511 49.171 38.2308 2.5779 31.7664 46.4462 34.0454 -34.9613 TIMING: 794200 CPU: 2366.55, 0.00295904/step Wall: 2366.55, 0.00295904/step, 3.45698 hours remaining, 207.531250 MB of memory in use. ENERGY: 794200 741.7947 2099.1974 1938.7253 117.7892 -206326.6921 17754.6215 0.0000 0.0000 34182.0829 -149492.4811 298.5206 -183674.5640 -149396.6489 298.8032 -44.6637 -11.8017 558706.0029 8.1719 8.2937 PRESSURE: 794400 -23.3928 -60.9221 -45.3729 -60.9218 -78.6973 12.6937 -45.3733 12.6921 32.7605 GPRESSURE: 794400 20.2368 -54.5745 -68.714 -54.1387 -28.7741 49.1907 5.42691 -29.3107 43.7703 PRESSAVG: 794400 -7.6281 45.9701 0.163944 45.9701 44.7045 7.23545 0.163912 7.23543 -1.80056 GPRESSAVG: 794400 -7.89148 45.5165 -0.0831824 45.3008 44.7113 7.36111 -1.3949 4.51329 -1.84699 TIMING: 794400 CPU: 2367.15, 0.00297109/step Wall: 2367.15, 0.00297109/step, 3.4709 hours remaining, 207.531250 MB of memory in use. ENERGY: 794400 734.0428 2040.3924 1954.0063 118.0260 -206198.6899 17750.4455 0.0000 0.0000 34044.6055 -149557.1714 297.3200 -183601.7768 -149453.9016 298.1000 -23.1099 11.7444 557455.0525 11.7586 11.6576 PRESSURE: 794600 -150.891 147.63 156.096 147.63 -161.096 -127.113 156.096 -127.113 12.8194 GPRESSURE: 794600 -114.581 124.799 169.203 162.296 -118.094 -64.5091 100.881 -92.0948 23.3934 PRESSAVG: 794600 -20.7456 5.77112 65.2023 5.77103 14.2604 9.08507 65.2023 9.08504 40.9307 GPRESSAVG: 794600 -19.9334 4.09279 64.2659 5.68537 13.9134 10.1465 67.2161 10.6201 39.9223 TIMING: 794600 CPU: 2367.75, 0.00298753/step Wall: 2367.75, 0.00298753/step, 3.48994 hours remaining, 207.531250 MB of memory in use. ENERGY: 794600 764.7134 2028.1787 1909.8259 117.3719 -206436.7578 17715.7276 0.0000 0.0000 34308.7595 -149592.1808 299.6269 -183900.9403 -149495.0898 298.4610 -99.7227 -69.7606 557553.7575 11.4818 11.3008 PRESSURE: 794800 -240.201 -65.0508 -73.0798 -65.0508 83.6844 -81.3634 -73.0782 -81.3629 58.9351 GPRESSURE: 794800 -177.567 32.5824 -72.936 -114.401 94.823 37.8995 -108.809 -59.7735 74.718 PRESSAVG: 794800 -76.9725 -28.522 71.0369 -28.522 29.4186 -63.1829 71.037 -63.1828 26.5856 GPRESSAVG: 794800 -76.9345 -26.5343 73.8119 -28.648 29.3107 -62.1856 68.9586 -62.9764 26.1117 TIMING: 794800 CPU: 2368.34, 0.00296591/step Wall: 2368.34, 0.00296591/step, 3.46451 hours remaining, 207.531250 MB of memory in use. ENERGY: 794800 705.2945 2036.0097 1921.8822 123.4379 -206217.7072 17751.4148 0.0000 0.0000 34100.9452 -149578.7229 297.8120 -183679.6682 -149482.8887 298.1370 -32.5273 -2.6754 557269.3499 -6.9895 -7.1707 PRESSURE: 795000 37.6979 -83.3497 33.6964 -83.3503 96.2026 -49.4359 33.6946 -49.4353 110.316 GPRESSURE: 795000 108.062 -21.0628 -41.8884 -117.864 119.153 -2.8721 60.1809 -32.2993 113.967 PRESSAVG: 795000 -6.9417 14.7869 -0.984537 14.787 -29.7176 -41.3478 -0.984506 -41.3478 50.2156 GPRESSAVG: 795000 -8.56422 14.7047 -1.55228 15.5486 -29.3692 -43.5308 -0.178494 -40.7885 52.0156 TIMING: 795000 CPU: 2368.93, 0.00297438/step Wall: 2368.93, 0.00297438/step, 3.47424 hours remaining, 207.531250 MB of memory in use. ENERGY: 795000 712.5588 2112.8250 1916.6946 116.4078 -206171.1123 17825.8557 0.0000 0.0000 33809.6749 -149677.0954 295.2683 -183486.7703 -149583.3442 297.3104 81.4056 113.7272 557533.3295 4.5188 4.6941 PRESSURE: 795200 107.798 20.1292 23.1177 20.128 -39.6601 -138.491 23.1188 -138.491 -191.085 GPRESSURE: 795200 118.117 69.5823 -52.5692 1.59431 26.1683 -144.394 152.987 -135.621 -172.953 PRESSAVG: 795200 -47.0994 -0.726137 -31.1896 -0.726169 -0.797971 -68.4221 -31.1897 -68.4222 57.5136 GPRESSAVG: 795200 -46.3623 1.89394 -30.2908 -2.88328 -1.08632 -67.1183 -31.2508 -69.5431 56.8659 TIMING: 795200 CPU: 2369.53, 0.00295873/step Wall: 2369.53, 0.00295873/step, 3.45579 hours remaining, 207.531250 MB of memory in use. ENERGY: 795200 722.3464 2070.2080 1896.1224 120.1374 -206863.1970 17939.7857 0.0000 0.0000 34279.2131 -149835.3841 299.3689 -184114.5972 -149741.4195 297.7689 -40.9825 -9.5558 556737.6750 3.2054 3.1391 PRESSURE: 795400 -137.46 101.94 100.759 101.94 -9.14627 38.0637 100.758 38.0633 -75.0478 GPRESSURE: 795400 -72.9872 96.6404 53.6641 114.382 -41.4752 -12.3461 106.716 31.7481 -22.0532 PRESSAVG: 795400 2.21855 58.3089 -49.7053 58.3088 36.2841 -92.3805 -49.7053 -92.3806 -30.797 GPRESSAVG: 795400 2.04154 55.0889 -50.7242 61.5106 37.5462 -91.9713 -48.3406 -92.9662 -31.3648 TIMING: 795400 CPU: 2370.12, 0.00296366/step Wall: 2370.12, 0.00296366/step, 3.46139 hours remaining, 207.531250 MB of memory in use. ENERGY: 795400 755.5449 2054.8901 1927.1994 107.5845 -206365.6588 17753.2994 0.0000 0.0000 33907.5389 -149859.6017 296.1230 -183767.1406 -149757.0364 297.6803 -73.8848 -45.5052 556226.1812 2.5686 2.7410 PRESSURE: 795600 -12.9129 -4.33507 8.08477 -4.3366 -106.483 -69.902 8.08506 -69.9041 47.4302 GPRESSURE: 795600 10.2307 -5.45282 57.9943 -49.239 -51.8973 28.8319 -40.3788 -79.0446 65.6968 PRESSAVG: 795600 -9.32772 -3.06573 -8.22977 -3.06575 49.7701 -46.3287 -8.22967 -46.3287 11.6818 GPRESSAVG: 795600 -8.53303 -2.40828 -8.45926 -4.07149 48.4719 -47.3413 -8.4546 -45.4526 12.1054 TIMING: 795600 CPU: 2370.71, 0.00295013/step Wall: 2370.71, 0.00295013/step, 3.44542 hours remaining, 207.531250 MB of memory in use. ENERGY: 795600 731.5880 2027.0246 1913.5398 108.8541 -206459.1994 17740.0278 0.0000 0.0000 34063.4659 -149874.6993 297.4847 -183938.1652 -149777.1224 297.3712 -23.9885 8.0101 556907.2466 17.3747 17.3481 PRESSURE: 795800 -248.451 68.0687 62.0045 68.0676 -252.484 24.0188 62.0049 24.0191 -144.689 GPRESSURE: 795800 -210.522 99.4729 62.8406 62.5613 -172.164 48.995 68.7164 66.879 -166.999 PRESSAVG: 795800 45.9117 3.94448 -29.5283 3.94446 30.4834 0.0659966 -29.5283 0.0659829 -50.5516 GPRESSAVG: 795800 45.7751 3.4658 -27.3463 3.7593 29.6142 -0.565741 -30.2755 0.398063 -49.5708 TIMING: 795800 CPU: 2371.3, 0.00295269/step Wall: 2371.3, 0.00295269/step, 3.44825 hours remaining, 207.531250 MB of memory in use. ENERGY: 795800 772.0448 2053.2547 1917.7271 115.3677 -205946.4157 17364.7454 0.0000 0.0000 33905.2705 -149818.0056 296.1032 -183723.2761 -149724.6550 297.2954 -215.2081 -183.2283 558214.3256 8.6145 8.6062 PRESSURE: 796000 -80.7553 -53.5896 43.0395 -53.5905 -96.0996 205.224 43.0391 205.224 89.9278 GPRESSURE: 796000 -40.2497 -35.8796 58.9607 -29.8345 -85.274 232.436 61.8769 171.662 124.818 PRESSAVG: 796000 -22.8278 -8.80487 47.0234 -8.80493 16.1227 51.7167 47.0234 51.7166 -34.1568 GPRESSAVG: 796000 -23.0372 -8.28814 43.9064 -6.91371 16.2412 52.2866 49.7788 52.2436 -34.0899 TIMING: 796000 CPU: 2371.89, 0.00293148/step Wall: 2371.89, 0.00293148/step, 3.42332 hours remaining, 207.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 796000 751.3119 2031.6458 1927.3056 100.2530 -206272.0427 17779.3153 0.0000 0.0000 33872.2277 -149809.9834 295.8146 -183682.2111 -149718.1186 297.0215 -28.9757 -0.2351 558016.9055 -13.6206 -13.6287 PRESSURE: 796200 -96.6623 156.351 66.2564 156.352 121.242 -139.937 66.2562 -139.937 -174.401 GPRESSURE: 796200 -77.4807 116.131 121.5 189.983 105.441 -176.778 47.5685 -48.4173 -99.4077 PRESSAVG: 796200 -11.8091 -7.45039 27.8433 -7.45034 -10.6046 54.079 27.8433 54.0789 -17.1842 GPRESSAVG: 796200 -12.7712 -8.23171 28.2596 -9.92428 -10.2784 54.092 25.8171 54.6107 -17.0622 TIMING: 796200 CPU: 2372.48, 0.00295207/step Wall: 2372.48, 0.00295207/step, 3.44719 hours remaining, 207.531250 MB of memory in use. ENERGY: 796200 741.9121 2056.7670 1915.1472 111.6455 -206545.4090 17925.5961 0.0000 0.0000 34195.5398 -149598.8011 298.6382 -183794.3409 -149502.4907 298.3052 -49.9405 -23.8157 557178.8776 -13.1993 -13.3706 LDB: ============= START OF LOAD BALANCING ============== 2376.02 LDB: ============== END OF LOAD BALANCING =============== 2376.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2376.02 LDB: ============= START OF LOAD BALANCING ============== 2376.32 LDB: Largest compute 4796 load 0.029518 is 25.0% of average load 0.118212 LDB: Average compute 0.001728 is 1.5% of average load 0.118212 LDB: TIME 2376.32 LOAD: AVG 0.118212 MAX 0.206823 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.828 MB LDB: TIME 2376.32 LOAD: AVG 0.118212 MAX 0.206823 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.832 MB LDB: TIME 2376.32 LOAD: AVG 0.118212 MAX 0.206823 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.832 MB LDB: ============== END OF LOAD BALANCING =============== 2376.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2376.33 PRESSURE: 796400 -175.016 -23.3344 139.367 -23.334 -281.356 185.134 139.365 185.134 -151.142 GPRESSURE: 796400 -185.085 -2.40866 110.216 -28.9647 -262.999 196.6 161.404 235.443 -65.6973 PRESSAVG: 796400 39.1185 -33.1615 32.2411 -33.1615 2.61263 -10.3343 32.2411 -10.3342 -17.6341 GPRESSAVG: 796400 39.0456 -31.3282 31.3892 -34.206 2.92638 -10.3612 32.7537 -11.8948 -17.2774 TIMING: 796400 CPU: 2373.08, 0.00302043/step Wall: 2373.08, 0.00302043/step, 3.52686 hours remaining, 207.789062 MB of memory in use. ENERGY: 796400 755.8315 2016.5639 1916.3045 108.2342 -206217.6363 17671.3764 0.0000 0.0000 34219.2627 -149530.0629 298.8453 -183749.3256 -149442.8362 298.5168 -202.5046 -171.2603 557400.1178 8.0323 8.2315 PRESSURE: 796600 -191.646 -29.4729 19.4072 -29.4717 -124.487 -95.5778 19.4085 -95.579 -200.164 GPRESSURE: 796600 -180.727 -60.8818 53.1152 16.2703 -41.3108 -69.3847 -14.5008 -39.6699 -203.604 PRESSAVG: 796600 -36.0552 -83.4293 8.47077 -83.4294 -54.8918 38.7743 8.47082 38.7744 21.8772 GPRESSAVG: 796600 -35.852 -83.2339 10.4504 -84.2439 -54.5449 37.7485 8.86339 40.3659 21.5819 TIMING: 796600 CPU: 2373.67, 0.00294434/step Wall: 2373.67, 0.00294434/step, 3.43785 hours remaining, 208.054688 MB of memory in use. ENERGY: 796600 739.3573 2034.7461 1949.3523 111.5885 -205977.2953 17414.1333 0.0000 0.0000 34311.2715 -149416.8463 299.6489 -183728.1178 -149321.5248 299.3087 -172.0988 -141.8807 557450.3030 -23.0233 -22.9383 PRESSURE: 796800 -130.022 16.8798 39.4107 16.8798 98.146 -91.5095 39.4109 -91.51 -176.558 GPRESSURE: 796800 -87.4681 20.8098 -8.08093 -34.0459 93.1029 -43.4369 14.5981 -40.2363 -118.439 PRESSAVG: 796800 -19.7947 -21.9013 -78.4697 -21.9014 32.7278 -33.901 -78.4697 -33.9011 -9.05468 GPRESSAVG: 796800 -19.2309 -23.7418 -80.5766 -19.1408 32.9848 -32.8868 -78.375 -32.8222 -9.87092 TIMING: 796800 CPU: 2374.26, 0.00296924/step Wall: 2374.26, 0.00296924/step, 3.46675 hours remaining, 208.054688 MB of memory in use. ENERGY: 796800 723.5631 2096.2871 1929.7869 121.4627 -205949.0256 17590.0946 0.0000 0.0000 34238.0415 -149249.7897 299.0093 -183487.8312 -149162.2665 299.2342 -69.4780 -37.6016 557764.6254 1.2928 1.2943 PRESSURE: 797000 -122.66 47.2159 -80.4122 47.217 19.2936 45.8413 -80.4128 45.8399 -105.457 GPRESSURE: 797000 -87.1196 76.6986 10.5768 67.5542 33.3964 -47.8449 -66.0847 135.217 -61.3247 PRESSAVG: 797000 72.5526 11.6526 -38.7498 11.6527 -28.0255 23.0387 -38.7498 23.0387 -70.0845 GPRESSAVG: 797000 71.952 10.4297 -36.9067 11.8325 -27.5079 23.0923 -39.1573 23.3458 -69.9868 TIMING: 797000 CPU: 2374.86, 0.00299277/step Wall: 2374.86, 0.00299277/step, 3.49406 hours remaining, 208.054688 MB of memory in use. ENERGY: 797000 747.5762 2071.6288 1932.2092 106.3679 -205834.1088 17612.7874 0.0000 0.0000 34036.0085 -149327.5308 297.2449 -183363.5393 -149235.6706 298.9702 -69.6076 -38.3493 557306.5184 -8.5191 -8.5142 PRESSURE: 797200 -51.9766 52.9416 88.7315 52.9414 -167.749 -35.2553 88.7316 -35.2558 -100.636 GPRESSURE: 797200 -28.5133 91.1118 -8.07978 47.271 -154.281 -18.5212 132.398 -55.9328 -42.8079 PRESSAVG: 797200 -14.8049 -9.01284 32.4184 -9.01275 67.187 -26.2608 32.4184 -26.2609 -55.1677 GPRESSAVG: 797200 -13.4807 -8.00567 29.0557 -8.58771 66.4239 -24.8816 35.4694 -28.9621 -55.4896 TIMING: 797200 CPU: 2375.46, 0.00299251/step Wall: 2375.46, 0.00299251/step, 3.49359 hours remaining, 208.054688 MB of memory in use. ENERGY: 797200 723.9947 2064.8451 1932.0468 119.9767 -206135.6654 17727.1233 0.0000 0.0000 34245.2156 -149322.4631 299.0720 -183567.6788 -149225.1646 298.4464 -106.7871 -75.2008 557592.7214 -0.9285 -0.8488 PRESSURE: 797400 -125.034 34.0807 26.4188 34.0817 4.19677 151.531 26.42 151.529 -363.226 GPRESSURE: 797400 -68.4067 -8.29441 108.093 67.2876 15.3634 78.6839 -5.29531 136.879 -329.898 PRESSAVG: 797400 5.16951 -0.585427 -36.5322 -0.585403 56.2302 2.30435 -36.5322 2.3043 -19.9145 GPRESSAVG: 797400 4.71868 -0.279134 -35.2535 0.136735 56.8551 -0.630344 -37.8216 3.41478 -19.8635 TIMING: 797400 CPU: 2376.05, 0.00297524/step Wall: 2376.05, 0.00297524/step, 3.47326 hours remaining, 208.054688 MB of memory in use. ENERGY: 797400 741.0807 2050.6837 1954.7199 131.0195 -206063.3988 17678.3456 0.0000 0.0000 34123.7190 -149383.8303 298.0109 -183507.5493 -149287.3590 298.5681 -161.3545 -127.6471 557798.5203 13.8284 13.9034 PRESSURE: 797600 -94.3099 28.4553 36.4214 28.4538 -139.327 -34.266 36.421 -34.265 -184.119 GPRESSURE: 797600 -101.281 53.6076 49.2666 27.4295 -108.416 33.9855 113.535 -88.4615 -124.98 PRESSAVG: 797600 4.95164 12.1627 33.2824 12.1626 -3.18439 -11.088 33.2824 -11.088 21.8381 GPRESSAVG: 797600 4.39815 12.4882 34.7094 11.5464 -3.65006 -8.85441 34.7442 -12.3603 23.0795 TIMING: 797600 CPU: 2376.65, 0.00297379/step Wall: 2376.65, 0.00297379/step, 3.4714 hours remaining, 208.054688 MB of memory in use. ENERGY: 797600 756.0014 2055.7114 1943.8613 119.8659 -205841.0816 17500.6283 0.0000 0.0000 34113.6442 -149351.3691 297.9229 -183465.0133 -149251.8517 298.6922 -139.2521 -111.5589 558422.7936 7.8684 7.9425 PRESSURE: 797800 -90.7998 -32.6879 -39.0291 -32.6882 93.6415 -82.3044 -39.0303 -82.3043 22.2175 GPRESSURE: 797800 -35.7373 -19.7965 -39.3999 -31.3567 120.883 -122.196 -52.0862 -60.797 46.8329 PRESSAVG: 797800 -46.3427 31.5258 -8.10074 31.5258 -61.034 -47.8933 -8.10077 -47.8933 98.5186 GPRESSAVG: 797800 -47.2469 33.9863 -8.75153 29.1745 -59.8411 -48.8735 -9.70788 -47.6832 97.4566 TIMING: 797800 CPU: 2377.24, 0.00294463/step Wall: 2377.24, 0.00294463/step, 3.43721 hours remaining, 208.054688 MB of memory in use. ENERGY: 797800 716.2249 2071.6701 1923.2855 100.1911 -206257.9010 17756.9519 0.0000 0.0000 34293.7665 -149395.8109 299.4960 -183689.5774 -149306.0268 298.0583 8.3531 43.9928 558061.6764 -2.9527 -3.2105 PRESSURE: 798000 190.262 -43.7116 -123.319 -43.711 -130.937 -239.867 -123.319 -239.866 -203.078 GPRESSURE: 798000 190.483 -10.3713 -138.72 -44.4841 -135.479 -303.782 -115.775 -175.655 -113.936 PRESSAVG: 798000 3.73755 34.2221 33.8307 34.2221 70.8152 7.66535 33.8307 7.6653 -56.4702 GPRESSAVG: 798000 3.8491 33.4584 34.0635 34.2226 70.0534 8.69361 32.8397 8.47922 -55.9953 TIMING: 798000 CPU: 2377.83, 0.00295868/step Wall: 2377.83, 0.00295868/step, 3.45343 hours remaining, 208.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 798000 778.5954 2050.4736 1930.1288 110.3188 -206110.1810 17875.5044 0.0000 0.0000 34282.7821 -149082.3780 299.4001 -183365.1600 -148979.0450 298.5392 -47.9178 -19.6442 559535.8117 6.0275 5.9691 PRESSURE: 798200 131.016 190.799 -265.016 190.8 -75.8691 183.738 -265.015 183.739 -153.236 GPRESSURE: 798200 178.32 234.263 -261.288 145.63 -43.4272 103.165 -224.088 253.402 -134.274 PRESSAVG: 798200 24.7044 23.6985 -3.62771 23.6986 -13.0208 -11.1094 -3.62767 -11.1095 -39.2142 GPRESSAVG: 798200 25.4622 22.6831 -3.49054 24.2425 -13.7026 -11.7369 -2.93148 -13.0436 -39.0404 TIMING: 798200 CPU: 2378.43, 0.00298226/step Wall: 2378.43, 0.00298226/step, 3.48079 hours remaining, 208.257812 MB of memory in use. ENERGY: 798200 710.1893 2061.4350 1923.8977 113.7902 -205535.4129 17646.2744 0.0000 0.0000 34175.8674 -148903.9589 298.4664 -183079.8263 -148802.9943 299.4304 -32.6961 0.2063 558141.4230 -9.1769 -9.0936 PRESSURE: 798400 -155.063 46.8332 -10.2261 46.8335 51.5892 -168.916 -10.2256 -168.915 -32.8798 GPRESSURE: 798400 -45.8544 75.637 -39.2272 -39.025 89.4773 -57.1504 75.7504 -188.513 -86.8362 PRESSAVG: 798400 -30.3543 -13.3194 -40.4955 -13.3195 69.7299 43.4257 -40.4955 43.4256 -35.5494 GPRESSAVG: 798400 -30.4741 -13.5386 -41.3389 -12.9143 70.2897 42.2019 -41.5471 44.7419 -36.1529 TIMING: 798400 CPU: 2379.03, 0.00299969/step Wall: 2379.03, 0.00299969/step, 3.50097 hours remaining, 208.257812 MB of memory in use. ENERGY: 798400 756.1609 2031.7779 1914.1095 109.1864 -205738.7968 17669.5072 0.0000 0.0000 34256.5860 -149001.4689 299.1713 -183258.0549 -148907.3196 298.7859 -45.4512 -14.4045 559471.9666 1.2754 1.2209 PRESSURE: 798600 52.1636 -97.0565 58.4828 -97.056 109.971 -14.4319 58.4833 -14.4321 1.96391 GPRESSURE: 798600 77.4575 -72.4796 84.2221 -78.91 167.084 12.1524 98.1447 -82.2392 10.0202 PRESSAVG: 798600 42.9543 -31.4533 36.6815 -31.4532 33.5894 8.69665 36.6815 8.69661 -30.3911 GPRESSAVG: 798600 41.7713 -30.9196 37.5644 -30.4041 34.413 10.9016 38.3934 7.41663 -30.0457 TIMING: 798600 CPU: 2379.62, 0.00299208/step Wall: 2379.62, 0.00299208/step, 3.49192 hours remaining, 208.257812 MB of memory in use. ENERGY: 798600 741.9244 2031.7133 1923.6914 119.4943 -206443.9793 18070.9058 0.0000 0.0000 34496.8527 -149059.3974 301.2696 -183556.2500 -148960.7686 299.2242 54.6994 84.8538 558047.3864 15.3842 15.3795 PRESSURE: 798800 -222.627 40.4899 -0.10429 40.4897 -128.661 -47.1102 -0.103733 -47.11 -412.42 GPRESSURE: 798800 -179.466 85.8254 22.7409 69.6068 -92.3467 0.68805 -44.7216 -23.3631 -400.805 PRESSAVG: 798800 36.4363 -2.38183 15.0634 -2.38194 30.6631 12.1187 15.0633 12.1187 -20.793 GPRESSAVG: 798800 38.6679 -2.47395 14.543 -2.24639 29.7709 9.95959 13.8376 13.9805 -22.1121 TIMING: 798800 CPU: 2380.23, 0.00300668/step Wall: 2380.23, 0.00300668/step, 3.50879 hours remaining, 208.257812 MB of memory in use. ENERGY: 798800 758.9764 2004.7499 1962.1555 100.1176 -205898.6170 17473.4021 0.0000 0.0000 34329.4001 -149269.8155 299.8072 -183599.2156 -149173.9712 299.7851 -254.5693 -224.2059 558090.0685 15.4355 15.4422 PRESSURE: 799000 -375.639 119.483 13.326 119.482 73.0168 27.4694 13.3252 27.469 -40.7383 GPRESSURE: 799000 -359.099 142.566 -21.44 77.4477 102.67 37.2467 55.9977 43.7681 7.90394 PRESSAVG: 799000 13.2718 -25.2355 8.08533 -25.2356 19.0885 6.51138 8.08535 6.51127 -22.0053 GPRESSAVG: 799000 12.0303 -24.5278 7.05063 -26.6232 18.8555 6.43855 10.313 6.41211 -20.6765 TIMING: 799000 CPU: 2380.82, 0.0029788/step Wall: 2380.82, 0.0029788/step, 3.47609 hours remaining, 208.257812 MB of memory in use. ENERGY: 799000 708.4139 2098.4283 1953.2624 110.2757 -205835.1367 17506.6490 0.0000 0.0000 34246.5128 -149211.5946 299.0833 -183458.1074 -149118.8673 299.0097 -114.4534 -82.8420 558820.6178 3.4517 3.4031 PRESSURE: 799200 27.7454 -76.7969 14.7499 -76.7963 -125.368 -70.1619 14.7498 -70.1627 55.6049 GPRESSURE: 799200 44.4132 -80.4049 -21.071 -162.771 -112.933 16.7793 31.6027 -60.5512 119.577 PRESSAVG: 799200 -17.9182 -1.25337 0.356239 -1.2534 -41.334 -2.60959 0.35627 -2.60974 34.9431 GPRESSAVG: 799200 -18.3859 -1.49262 -0.479413 -1.53269 -39.9338 0.759117 -0.366056 -3.26889 34.0511 TIMING: 799200 CPU: 2381.42, 0.00300765/step Wall: 2381.42, 0.00300765/step, 3.50959 hours remaining, 208.257812 MB of memory in use. ENERGY: 799200 752.4104 2014.9295 1929.2451 105.9405 -206263.8520 17815.3079 0.0000 0.0000 34223.9629 -149422.0558 298.8864 -183646.0187 -149326.7089 299.2100 -14.0061 17.0191 558734.0691 -8.1030 -8.0895 PRESSURE: 799400 -33.3895 -40.7187 118.057 -40.7188 -190.758 -57.5741 118.058 -57.5749 -232.659 GPRESSURE: 799400 -29.0768 40.6198 49.6385 -139.416 -163.654 -29.0601 89.6647 -83.842 -172.126 PRESSAVG: 799400 -49.8423 -13.9658 3.28771 -13.9659 -34.1002 -54.3442 3.28785 -54.344 85.5086 GPRESSAVG: 799400 -49.8789 -15.2359 5.08976 -12.5026 -34.4548 -56.6004 3.47297 -53.888 86.4342 TIMING: 799400 CPU: 2382.02, 0.00299635/step Wall: 2382.02, 0.00299635/step, 3.49624 hours remaining, 208.257812 MB of memory in use. ENERGY: 799400 796.5190 2036.0485 1968.2384 105.0644 -206317.5119 17894.1543 0.0000 0.0000 34228.8685 -149288.6187 298.9292 -183517.4872 -149198.1938 298.8620 -152.2688 -121.6190 559745.0756 0.5220 0.7002 PRESSURE: 799600 -150.692 -60.5723 -55.4338 -60.5702 47.1999 42.6374 -55.4354 42.6359 -120.454 GPRESSURE: 799600 -148.899 -47.7112 37.673 -52.0225 144.752 28.2635 -128.238 49.0556 -120.908 PRESSAVG: 799600 33.0157 19.7451 -2.05613 19.745 -11.1704 19.8919 -2.05619 19.892 12.8071 GPRESSAVG: 799600 33.921 19.9723 -3.70107 20.2791 -10.9311 18.7661 -1.83213 20.9382 12.3023 TIMING: 799600 CPU: 2382.62, 0.00297254/step Wall: 2382.62, 0.00297254/step, 3.46829 hours remaining, 208.257812 MB of memory in use. ENERGY: 799600 708.4386 2126.0324 1938.2107 115.9118 -206294.2572 17918.4818 0.0000 0.0000 34107.8926 -149379.2893 297.8727 -183487.1819 -149290.3422 298.7554 -74.6489 -41.6851 559620.3419 11.5508 11.7641 PRESSURE: 799800 -179.75 18.1191 5.68715 18.1193 -63.1494 -10.9616 5.68752 -10.9615 68.6709 GPRESSURE: 799800 -150.409 31.8177 -6.38135 47.2545 16.2499 57.7935 18.1594 16.6996 70.1939 PRESSAVG: 799800 -12.8939 2.85873 8.55199 2.85871 48.9275 -10.8554 8.55205 -10.8554 -15.5429 GPRESSAVG: 799800 -13.4024 3.87004 9.94101 1.95044 48.1985 -8.94648 8.17688 -11.8868 -14.585 TIMING: 799800 CPU: 2383.21, 0.00295541/step Wall: 2383.21, 0.00295541/step, 3.44815 hours remaining, 208.257812 MB of memory in use. ENERGY: 799800 757.0690 2085.5236 1937.6702 128.0141 -206381.0034 17968.0424 0.0000 0.0000 34309.1350 -149195.5492 299.6302 -183504.6842 -149093.4490 299.1465 -58.0762 -21.3218 557731.3701 6.8302 6.7370 PRESSURE: 800000 -28.6333 -0.428883 7.13614 -0.429211 -33.7129 -107.527 7.13418 -107.526 76.7681 GPRESSURE: 800000 -3.41839 66.3363 20.5736 -7.21432 39.0106 -17.3637 58.1803 -185.072 69.3405 PRESSAVG: 800000 -15.2366 -72.467 26.9119 -72.467 7.24281 -20.3534 26.9118 -20.3534 -6.77587 GPRESSAVG: 800000 -15.6724 -73.0221 26.7406 -71.9195 8.17805 -19.395 26.8682 -20.1593 -7.36653 TIMING: 800000 CPU: 2383.8, 0.00297683/step Wall: 2383.8, 0.00297683/step, 3.47297 hours remaining, 208.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 800000 742.3774 2077.1442 1909.8838 89.9630 -206198.1650 17887.6468 0.0000 0.0000 34241.2045 -149249.9453 299.0370 -183491.1498 -149152.0739 299.5183 4.8073 34.9776 557968.6214 -4.9232 -4.9536 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 800000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 800000 WRITING COORDINATES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART COORDINATES The last position output (seq=800000) takes 0.010 seconds, 208.258 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 800200 -16.0876 36.1839 144.754 36.1843 -71.9894 -90.103 144.753 -90.1028 -87.4821 GPRESSURE: 800200 -18.1636 101.336 129.835 -83.1219 -12.1497 -129.555 119.309 -159 -52.2712 PRESSAVG: 800200 4.92143 5.13274 -15.7772 5.13282 9.86402 -101.333 -15.7772 -101.333 23.3796 GPRESSAVG: 800200 5.93072 4.87036 -16.7515 2.71451 9.43165 -100.818 -16.6249 -100.821 22.527 TIMING: 800200 CPU: 2384.42, 0.00310112/step Wall: 2384.42, 0.00310112/step, 3.61781 hours remaining, 208.257812 MB of memory in use. ENERGY: 800200 706.9302 2092.4172 1929.8285 107.0141 -206247.5913 17769.8541 0.0000 0.0000 34364.5759 -149276.9712 300.1144 -183641.5471 -149180.3234 299.1485 -58.5197 -27.5282 558968.1724 12.7217 12.6298 LDB: ============= START OF LOAD BALANCING ============== 2387.97 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2387.97 LDB: =============== DONE WITH MIGRATION ================ 2387.97 LDB: ============= START OF LOAD BALANCING ============== 2388.27 LDB: Largest compute 4796 load 0.030204 is 25.6% of average load 0.118079 LDB: Average compute 0.001723 is 1.5% of average load 0.118079 LDB: TIME 2388.27 LOAD: AVG 0.118079 MAX 0.205842 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.703 MB LDB: TIME 2388.27 LOAD: AVG 0.118079 MAX 0.205842 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: TIME 2388.27 LOAD: AVG 0.118079 MAX 0.205842 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: ============== END OF LOAD BALANCING =============== 2388.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2388.28 PRESSURE: 800400 -158.439 76.8642 -14.8196 76.8652 -123.934 37.3989 -14.8199 37.3995 -138.386 GPRESSURE: 800400 -111.954 9.96995 -112.585 69.3508 -63.8424 108.485 17.5819 -58.7211 -149.283 PRESSAVG: 800400 76.7172 34.7349 58.554 34.7349 20.1944 63.4824 58.554 63.4824 -39.2809 GPRESSAVG: 800400 76.4981 33.8512 58.9507 37.786 19.9606 64.2267 59.1696 62.6267 -38.4629 TIMING: 800400 CPU: 2385.03, 0.00303034/step Wall: 2385.03, 0.00303034/step, 3.53506 hours remaining, 206.703125 MB of memory in use. ENERGY: 800400 767.0613 2076.8063 1931.8040 108.1881 -206122.8588 17737.3778 0.0000 0.0000 34183.5409 -149318.0803 298.5334 -183501.6212 -149217.7113 299.2286 -140.2531 -108.3595 558604.2316 19.2103 19.3319 PRESSURE: 800600 -56.618 74.8913 -89.9113 74.8921 -199.199 -3.85682 -89.9109 -3.85683 102.675 GPRESSURE: 800600 -1.32665 83.6189 -158.209 68.6097 -140.598 -18.3528 2.09494 -86.8803 96.3331 PRESSAVG: 800600 -42.0416 -20.1172 -7.00534 -20.1172 4.89476 -56.2139 -7.00536 -56.214 71.5319 GPRESSAVG: 800600 -42.5563 -20.2412 -7.36709 -20.0078 4.40358 -56.2955 -6.16958 -56.5357 72.551 TIMING: 800600 CPU: 2385.63, 0.0030063/step Wall: 2385.63, 0.0030063/step, 3.50685 hours remaining, 206.703125 MB of memory in use. ENERGY: 800600 732.9680 2084.5461 1919.0285 115.4624 -206044.1615 17825.4163 0.0000 0.0000 34156.3584 -149210.3818 298.2960 -183366.7401 -149108.5050 298.9890 -51.0475 -15.1971 557777.2929 11.4617 11.4661 PRESSURE: 800800 -258.03 -46.212 -122.405 -46.2126 -21.331 -110.231 -122.405 -110.23 -96.5667 GPRESSURE: 800800 -262.86 -21.8728 -76.6802 -91.4521 8.754 -92.4513 -84.3668 -98.8732 -21.6428 PRESSAVG: 800800 10.3221 -0.78522 -10.2879 -0.785263 14.8653 -36.3427 -10.2878 -36.3427 16.5371 GPRESSAVG: 800800 10.1802 -1.19442 -8.54374 -1.15758 15.2641 -40.4647 -10.48 -33.5156 16.0263 TIMING: 800800 CPU: 2386.23, 0.00299807/step Wall: 2386.23, 0.00299807/step, 3.49709 hours remaining, 206.703125 MB of memory in use. ENERGY: 800800 716.5129 2008.0410 1950.4138 109.2094 -206158.4738 17672.4795 0.0000 0.0000 34253.0475 -149448.7696 299.1404 -183701.8172 -149355.7309 298.4749 -125.3091 -91.9163 557010.5464 13.9082 13.8236 PRESSURE: 801000 -95.1769 14.9577 -46.1751 14.957 58.8944 4.92145 -46.1756 4.92329 110.955 GPRESSURE: 801000 -39.6421 -19.1409 -78.3794 40.9775 95.7102 -89.4423 -6.50127 99.0139 132.566 PRESSAVG: 801000 8.00302 36.3851 -17.7279 36.3852 32.691 -37.6476 -17.728 -37.6477 -62.627 GPRESSAVG: 801000 8.37602 37.3003 -17.6545 35.2268 32.4974 -36.3148 -18.627 -39.2664 -62.2913 TIMING: 801000 CPU: 2386.83, 0.00298981/step Wall: 2386.83, 0.00298981/step, 3.48728 hours remaining, 206.703125 MB of memory in use. ENERGY: 801000 756.4706 2067.1577 1947.3348 110.9787 -206527.1907 18049.6286 0.0000 0.0000 34172.1891 -149423.4312 298.4342 -183595.6203 -149331.7460 297.9473 24.8909 62.8780 558795.3476 -7.3110 -7.1393 PRESSURE: 801200 -2.16904 -20.2431 8.00088 -20.2439 -282.682 -66.9407 8.00163 -66.9414 224.922 GPRESSURE: 801200 46.2638 -45.5987 77.3319 47.0957 -249.769 -11.6364 -73.8152 -20.0119 238.763 PRESSAVG: 801200 35.6304 3.96525 -13.361 3.96519 -5.56166 0.682964 -13.361 0.682935 -36.2301 GPRESSAVG: 801200 36.5019 2.85469 -13.4877 5.2982 -5.89468 0.584869 -15.7215 -0.425843 -36.8058 TIMING: 801200 CPU: 2387.43, 0.00300339/step Wall: 2387.43, 0.00300339/step, 3.50296 hours remaining, 206.703125 MB of memory in use. ENERGY: 801200 707.3284 2059.7421 1944.9141 118.0843 -206318.3536 17868.4903 0.0000 0.0000 34117.5933 -149502.2013 297.9574 -183619.7945 -149405.0495 297.8213 -19.9763 11.7525 558674.7176 -2.0538 -2.0662 PRESSURE: 801400 -81.1509 91.0972 17.8491 91.0964 -100.509 -248.814 17.8473 -248.815 64.0704 GPRESSURE: 801400 -40.0998 99.0343 52.1092 52.1904 -85.2313 -223.726 12.6334 -318.672 95.9854 PRESSAVG: 801400 -5.54525 -15.9897 -50.9582 -15.9897 22.0342 -14.1429 -50.9583 -14.1429 -31.8448 GPRESSAVG: 801400 -5.48404 -15.359 -50.1711 -16.6957 21.7512 -11.9562 -48.451 -13.351 -32.1727 TIMING: 801400 CPU: 2388.03, 0.00301553/step Wall: 2388.03, 0.00301553/step, 3.51694 hours remaining, 206.703125 MB of memory in use. ENERGY: 801400 745.5716 2046.5111 1945.6315 102.0145 -206411.4183 17845.1580 0.0000 0.0000 34204.6993 -149521.8323 298.7181 -183726.5316 -149420.8609 298.5495 -39.1966 -9.7819 557439.1330 -5.1186 -5.3018 PRESSURE: 801600 -358.284 77.0935 70.3739 77.0926 -297.19 -174.438 70.3718 -174.438 70.8129 GPRESSURE: 801600 -316.228 171.046 58.7845 75.8232 -298.112 -222.73 60.2258 -102.666 112.936 PRESSAVG: 801600 -89.1831 25.6772 2.18583 25.6773 79.9035 -0.210146 2.18585 -0.210097 39.0292 GPRESSAVG: 801600 -89.4705 25.4054 1.57672 25.9392 79.5402 -0.706691 1.63779 0.186313 39.0752 TIMING: 801600 CPU: 2388.63, 0.00298796/step Wall: 2388.63, 0.00298796/step, 3.48462 hours remaining, 206.703125 MB of memory in use. ENERGY: 801600 790.3099 2041.7659 1925.7689 100.3014 -206044.6764 17759.9308 0.0000 0.0000 34107.4795 -149319.1200 297.8691 -183426.5995 -149227.3437 298.4800 -194.8868 -167.1346 558798.6843 9.9165 9.7149 PRESSURE: 801800 -76.5927 -102.81 23.8889 -102.81 -238.679 110.3 23.8877 110.302 -86.5418 GPRESSURE: 801800 -59.64 -107.653 -46.3286 -66.9459 -150.364 154.279 52.6336 96.5736 -100.445 PRESSAVG: 801800 -24.9101 38.6501 12.6666 38.6501 26.361 31.2723 12.6666 31.2725 34.1782 GPRESSAVG: 801800 -24.7417 39.4078 13.1253 37.5288 26.9888 31.9875 13.5696 28.6729 33.3115 TIMING: 801800 CPU: 2389.23, 0.00301893/step Wall: 2389.23, 0.00301893/step, 3.52058 hours remaining, 206.703125 MB of memory in use. ENERGY: 801800 781.0376 2100.1864 1984.9530 132.1371 -206298.7632 17681.4284 0.0000 0.0000 34275.4439 -149343.5769 299.3360 -183619.0207 -149251.3812 299.1209 -133.9377 -103.4831 557958.2113 11.8764 11.8529 PRESSURE: 802000 -146.442 136.746 68.0635 136.746 78.6634 113.461 68.064 113.46 -40.3188 GPRESSURE: 802000 -115.839 157.981 52.3151 140.738 106.257 140.423 91.2859 57.0908 2.95216 PRESSAVG: 802000 -45.8631 -3.08148 51.0633 -3.08145 41.4905 28.2035 51.0632 28.2035 11.3174 GPRESSAVG: 802000 -45.4646 -5.55494 50.5761 0.327265 40.5013 28.1399 51.6956 28.647 12.4723 TIMING: 802000 CPU: 2389.84, 0.00301306/step Wall: 2389.84, 0.00301306/step, 3.51356 hours remaining, 206.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 802000 785.3846 2121.7204 1928.7330 99.7207 -206105.1957 17787.2221 0.0000 0.0000 34187.6781 -149194.7368 298.5695 -183382.4149 -149097.1772 298.7455 -36.0323 -2.2097 557778.4768 2.3149 2.5030 PRESSURE: 802200 41.9849 -29.2019 -170.735 -29.2027 170.354 -54.6832 -170.734 -54.682 -135.206 GPRESSURE: 802200 27.5509 -33.761 -165.957 10.315 174.365 57.8389 -147.378 -33.4705 -42.1406 PRESSAVG: 802200 -31.1127 22.5146 -24.4731 22.5146 15.8153 1.82506 -24.473 1.82499 -2.41231 GPRESSAVG: 802200 -32.6793 24.5039 -24.637 20.5071 16.1316 0.88168 -26.9283 2.2003 -0.886358 TIMING: 802200 CPU: 2390.43, 0.00297417/step Wall: 2390.43, 0.00297417/step, 3.46805 hours remaining, 206.703125 MB of memory in use. ENERGY: 802200 776.3874 2022.7259 1937.4645 118.8539 -206570.0793 18091.8244 0.0000 0.0000 34402.1739 -149220.6493 300.4427 -183622.8231 -149122.4881 298.7961 25.7107 53.2583 557357.2593 -5.9032 -5.8114 PRESSURE: 802400 31.9146 244.902 -26.458 244.901 -96.8601 82.0774 -26.4582 82.0763 220.936 GPRESSURE: 802400 65.4896 299.761 -44.2434 204.622 -54.036 26.9206 -41.1437 94.5646 235.618 PRESSAVG: 802400 31.7593 62.6237 17.1374 62.6238 -13.9212 64.2599 17.1374 64.2598 24.7645 GPRESSAVG: 802400 32.414 62.3555 16.8345 61.6812 -12.9284 64.6333 17.5485 65.1146 23.3847 TIMING: 802400 CPU: 2391.03, 0.00300368/step Wall: 2391.03, 0.00300368/step, 3.50229 hours remaining, 206.703125 MB of memory in use. ENERGY: 802400 754.9078 2111.7239 1949.5380 109.2414 -205983.0015 17687.3355 0.0000 0.0000 34152.9893 -149217.2656 298.2666 -183370.2549 -149121.4079 299.3414 51.9968 82.3572 556740.9973 14.2009 14.2901 PRESSURE: 802600 6.14103 -24.9444 50.3371 -24.9451 -190.825 104.723 50.3354 104.723 156.895 GPRESSURE: 802600 28.5843 -56.1996 -17.3981 -12.3244 -191.753 130.831 46.6466 86.8843 233.298 PRESSAVG: 802600 59.206 24.8497 -27.229 24.8498 -33.9755 79.6794 -27.2292 79.6794 -29.5055 GPRESSAVG: 802600 59.2312 25.0854 -28.8222 25.777 -34.6772 80.4758 -25.7298 78.9099 -28.946 TIMING: 802600 CPU: 2391.63, 0.00297342/step Wall: 2391.63, 0.00297342/step, 3.46685 hours remaining, 206.703125 MB of memory in use. ENERGY: 802600 726.5744 2092.7122 1932.7520 105.2115 -206073.0923 17722.0356 0.0000 0.0000 34279.2074 -149214.5992 299.3688 -183493.8067 -149116.5546 299.4406 -9.2629 23.3765 557584.8876 -1.4250 -1.4640 PRESSURE: 802800 39.6169 -62.9009 100.893 -62.9029 -125.639 -128.918 100.894 -128.917 -143.66 GPRESSURE: 802800 55.8626 -82.6813 158.217 96.1545 -49.4485 -61.3192 25.2941 -185.093 -135.601 PRESSAVG: 802800 76.3418 29.4515 66.3934 29.4514 -41.0483 44.2399 66.3934 44.2399 -26.9843 GPRESSAVG: 802800 76.0302 28.8609 68.0324 29.4527 -40.1223 42.4059 65.311 45.5385 -27.4871 TIMING: 802800 CPU: 2392.22, 0.00296083/step Wall: 2392.22, 0.00296083/step, 3.452 hours remaining, 206.703125 MB of memory in use. ENERGY: 802800 708.0639 2121.6173 1928.9077 109.8785 -206095.0492 17584.7001 0.0000 0.0000 34244.6981 -149397.1837 299.0675 -183641.8818 -149304.5846 298.7962 -76.5607 -43.0622 556649.1945 2.7697 2.8069 PRESSURE: 803000 282.04 -19.1784 41.4348 -19.1786 -354.957 27.2665 41.4349 27.2653 -276.788 GPRESSURE: 803000 239.362 -4.32157 38.2525 37.3887 -264.434 52.4631 59.9318 -21.3686 -229.63 PRESSAVG: 803000 53.0303 13.2526 62.7653 13.2526 -48.245 -43.9724 62.7652 -43.9724 -6.05444 GPRESSAVG: 803000 53.1561 12.8463 63.1439 14.9779 -48.5617 -43.3168 63.9707 -47.06 -6.34875 TIMING: 803000 CPU: 2392.81, 0.00296811/step Wall: 2392.81, 0.00296811/step, 3.46032 hours remaining, 206.703125 MB of memory in use. ENERGY: 803000 741.4056 2118.9283 1938.7511 107.8334 -206007.0666 17653.9075 0.0000 0.0000 34072.8397 -149373.4010 297.5666 -183446.2407 -149275.9900 298.7316 -116.5683 -84.9006 557546.1509 -0.4230 -0.5848 PRESSURE: 803200 287.402 -2.53863 -22.6074 -2.53823 -34.0374 12.5505 -22.6067 12.5509 6.41333 GPRESSURE: 803200 336.818 -27.3443 -13.9319 -21.8952 -57.9122 76.7179 12.2832 2.12192 76.3305 PRESSAVG: 803200 124.103 -33.7239 -2.08811 -33.7239 -0.801073 -5.14634 -2.08808 -5.14637 -113.166 GPRESSAVG: 803200 124.294 -32.6788 -1.1222 -34.7644 -0.809096 -6.10164 -5.01627 -2.69298 -113.801 TIMING: 803200 CPU: 2393.41, 0.00296494/step Wall: 2393.41, 0.00296494/step, 3.45646 hours remaining, 206.703125 MB of memory in use. ENERGY: 803200 749.6933 2045.8080 1945.4488 121.4890 -206580.0626 17992.8079 0.0000 0.0000 34222.9452 -149501.8704 298.8775 -183724.8156 -149395.6807 297.7803 86.5928 118.4123 557112.5235 3.3787 3.2281 PRESSURE: 803400 -546.364 -3.92843 73.3514 -3.92963 -169.832 -79.3802 73.3509 -79.3802 53.4084 GPRESSURE: 803400 -471.06 56.0164 -5.53988 95.3121 -179.29 -90.2037 57.0856 -91.283 90.4046 PRESSAVG: 803400 31.5213 10.2884 -33.4818 10.2884 63.5539 -17.8919 -33.4819 -17.8918 -108.522 GPRESSAVG: 803400 31.808 8.31752 -34.9808 11.4183 63.4576 -15.9855 -31.1961 -18.0963 -108.867 TIMING: 803400 CPU: 2394, 0.00297578/step Wall: 2394, 0.00297578/step, 3.46893 hours remaining, 206.703125 MB of memory in use. ENERGY: 803400 713.6788 2051.1723 1922.4929 125.1626 -206327.5508 17583.3456 0.0000 0.0000 34173.1067 -149758.5919 298.4422 -183931.6986 -149665.7579 297.8994 -220.9292 -186.6487 557143.1751 -4.4821 -4.5338 PRESSURE: 803600 8.99139 -13.8211 164.666 -13.8216 4.24841 -74.564 164.667 -74.5629 -185.992 GPRESSURE: 803600 26.3584 -75.6811 115.107 -53.6169 49.2694 -54.5729 147.759 -72.244 -149.922 PRESSAVG: 803600 6.19347 -23.316 -34.6158 -23.3161 -16.6525 -13.8756 -34.6158 -13.8756 3.39522 GPRESSAVG: 803600 5.59742 -21.8766 -35.1774 -23.2077 -16.4258 -14.6766 -34.9737 -15.3 4.01945 TIMING: 803600 CPU: 2394.6, 0.00299566/step Wall: 2394.6, 0.00299566/step, 3.49194 hours remaining, 206.703125 MB of memory in use. ENERGY: 803600 739.9139 2084.6220 1920.9783 99.1029 -206353.4460 17694.2012 0.0000 0.0000 34048.6347 -149765.9931 297.3552 -183814.6278 -149669.9827 297.6641 -57.5841 -24.7648 556934.3176 -2.3546 -2.2696 PRESSURE: 803800 -51.2364 196.25 33.9605 196.25 -107.596 20.4894 33.9608 20.4919 -227.63 GPRESSURE: 803800 -21.8462 119.308 25.7009 238.927 -46.8688 60.286 83.7694 90.4898 -221.393 PRESSAVG: 803800 30.728 25.7599 -5.646 25.76 31.0768 31.5159 -5.64605 31.516 -72.1027 GPRESSAVG: 803800 30.6931 24.9011 -2.51491 22.901 30.9059 31.0989 -6.72913 34.4522 -72.4209 TIMING: 803800 CPU: 2395.2, 0.00299136/step Wall: 2395.2, 0.00299136/step, 3.48677 hours remaining, 206.703125 MB of memory in use. ENERGY: 803800 761.4538 2083.1663 1936.5660 111.9658 -206384.4808 17612.5189 0.0000 0.0000 34158.2613 -149720.5487 298.3126 -183878.8100 -149626.2633 298.3662 -128.8208 -96.7028 556551.3000 -3.4326 -3.6073 PRESSURE: 804000 -36.2325 61.3069 -16.0293 61.3069 64.9413 -96.3863 -16.0294 -96.3875 -361.69 GPRESSURE: 804000 -0.211774 10.8873 -136.114 -8.02709 120.682 -202.276 63.6984 13.9707 -356.455 PRESSAVG: 804000 -29.8647 -15.5234 -5.61008 -15.5234 49.6689 13.3045 -5.61007 13.3045 -15.2741 GPRESSAVG: 804000 -29.6036 -16.2319 -7.6747 -15.5709 48.2612 12.4517 -2.32195 12.9177 -14.2928 TIMING: 804000 CPU: 2395.8, 0.00298649/step Wall: 2395.8, 0.00298649/step, 3.48093 hours remaining, 206.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 804000 699.3104 2126.2568 1910.6798 118.8847 -206103.8001 17512.2927 0.0000 0.0000 34172.5987 -149563.7770 298.4378 -183736.3757 -149469.6244 298.8007 -110.9937 -78.6618 556433.1586 1.5100 1.4549 PRESSURE: 804200 291.368 14.937 65.6518 14.9386 77.5527 64.8234 65.6523 64.8254 -18.9333 GPRESSURE: 804200 293.773 6.96478 49.4999 40.0654 112.967 53.2526 115.593 42.2051 41.3021 PRESSAVG: 804200 -33.0454 -36.9269 -21.6561 -36.9268 19.0964 -19.3402 -21.656 -19.3403 -46.9434 GPRESSAVG: 804200 -33.9632 -35.7316 -23.347 -37.6238 20.0547 -18.9925 -23.3401 -19.0729 -46.8776 TIMING: 804200 CPU: 2396.39, 0.00296556/step Wall: 2396.39, 0.00296556/step, 3.45636 hours remaining, 206.703125 MB of memory in use. ENERGY: 804200 778.5118 2040.7581 1935.5460 107.3733 -206522.1604 18130.1636 0.0000 0.0000 34011.6176 -149518.1899 297.0319 -183529.8075 -149422.4055 298.0731 116.6625 149.3474 556440.1257 -20.2975 -20.2620 LDB: ============= START OF LOAD BALANCING ============== 2399.94 LDB: ============== END OF LOAD BALANCING =============== 2399.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2399.94 LDB: ============= START OF LOAD BALANCING ============== 2400.24 LDB: Largest compute 4796 load 0.029980 is 25.4% of average load 0.118189 LDB: Average compute 0.001721 is 1.5% of average load 0.118189 LDB: TIME 2400.24 LOAD: AVG 0.118189 MAX 0.21114 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.703 MB LDB: TIME 2400.24 LOAD: AVG 0.118189 MAX 0.21114 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: TIME 2400.24 LOAD: AVG 0.118189 MAX 0.21114 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: ============== END OF LOAD BALANCING =============== 2400.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2400.25 PRESSURE: 804400 10.773 87.0901 -181.363 87.0895 -132.991 -89.4864 -181.362 -89.4871 134.341 GPRESSURE: 804400 50.4323 67.1358 -173.149 71.5417 -102.594 -88.0991 -210.488 -41.7214 159.165 PRESSAVG: 804400 -37.9787 -31.3989 -28.6902 -31.3988 76.8796 19.8712 -28.6902 19.8711 -6.86074 GPRESSAVG: 804400 -37.7602 -31.1153 -27.412 -31.7041 77.4032 20.4474 -30.1556 19.3182 -7.642 TIMING: 804400 CPU: 2397, 0.00306003/step Wall: 2397, 0.00306003/step, 3.5663 hours remaining, 206.191406 MB of memory in use. ENERGY: 804400 758.4604 2083.3442 1919.9861 101.6205 -206475.0641 18063.0594 0.0000 0.0000 33998.3891 -149550.2043 296.9164 -183548.5934 -149452.5030 297.9523 4.0409 35.6680 558704.4894 10.6800 10.6670 PRESSURE: 804600 217.908 -90.6157 209.149 -90.6162 -0.273479 109.913 209.149 109.912 -117.989 GPRESSURE: 804600 242.888 -118.899 176.32 2.74042 19.0215 95.2912 325.042 73.8096 -74.4284 PRESSAVG: 804600 23.8835 -39.8926 -12.2354 -39.8926 31.755 6.74807 -12.2355 6.74806 -64.41 GPRESSAVG: 804600 22.8974 -38.8168 -11.9354 -41.3225 32.8131 6.75601 -9.34109 5.17268 -64.6871 TIMING: 804600 CPU: 2397.61, 0.00303887/step Wall: 2397.61, 0.00303887/step, 3.54147 hours remaining, 206.191406 MB of memory in use. ENERGY: 804600 755.4478 2092.0445 1938.9555 110.9296 -206719.7763 18020.0434 0.0000 0.0000 34222.5781 -149579.7773 298.8743 -183802.3554 -149493.5733 298.4199 33.2153 62.4937 557385.2621 -2.9238 -2.9922 PRESSURE: 804800 -393.432 100.839 -68.3187 100.84 67.0379 -49.2941 -68.3193 -49.2957 178.167 GPRESSURE: 804800 -341.524 66.8034 -75.8305 43.7548 86.9977 -66.13 -99.4971 6.7339 201.983 PRESSAVG: 804800 -48.6682 -34.027 4.40842 -34.027 39.822 49.9966 4.40842 49.9966 0.191401 GPRESSAVG: 804800 -47.0767 -35.9159 4.1058 -31.8308 37.7119 49.8284 3.25631 51.0549 0.325883 TIMING: 804800 CPU: 2398.21, 0.00302517/step Wall: 2398.21, 0.00302517/step, 3.52533 hours remaining, 206.191406 MB of memory in use. ENERGY: 804800 747.1692 2052.5091 1941.1651 122.2695 -206207.5040 17746.6442 0.0000 0.0000 34023.1059 -149574.6410 297.1322 -183597.7469 -149479.5062 298.0624 -49.4089 -17.5144 558109.2923 -2.8849 -3.0130 PRESSURE: 805000 -352.795 -138.654 61.4354 -138.655 12.9174 -102.017 61.4358 -102.016 -195.613 GPRESSURE: 805000 -239.868 -34.8808 -1.56099 -133.268 -13.1888 -78.7586 34.1837 -100.329 -179.241 PRESSAVG: 805000 -16.8743 -40.1866 -38.5561 -40.1866 -8.91676 18.26 -38.5561 18.26 2.50621 GPRESSAVG: 805000 -17.7823 -38.2572 -37.3238 -40.0123 -9.14764 19.5796 -37.7566 17.9052 3.46806 TIMING: 805000 CPU: 2398.81, 0.00296388/step Wall: 2398.81, 0.00296388/step, 3.45374 hours remaining, 206.191406 MB of memory in use. ENERGY: 805000 771.9086 2066.7191 1944.0596 111.1055 -206423.2875 17738.6677 0.0000 0.0000 34338.3430 -149452.4840 299.8853 -183790.8270 -149355.9030 298.4166 -178.4968 -144.0993 558152.5151 -7.7616 -7.8206 PRESSURE: 805200 148.357 58.4456 129.353 58.4439 -141.637 -38.234 129.354 -38.2331 -111.139 GPRESSURE: 805200 138.412 -33.0258 185.873 172.349 -128.171 -1.27437 61.4122 -49.0418 -24.1478 PRESSAVG: 805200 72.358 -15.0698 -0.987877 -15.0698 17.8235 -41.1689 -0.987781 -41.1689 -48.1813 GPRESSAVG: 805200 73.3588 -15.4742 -2.59837 -17.3001 17.7277 -42.4578 -0.543035 -41.1744 -48.7464 TIMING: 805200 CPU: 2399.4, 0.00296476/step Wall: 2399.4, 0.00296476/step, 3.45461 hours remaining, 206.191406 MB of memory in use. ENERGY: 805200 724.0890 2077.8250 1968.0144 124.2376 -206482.0641 18019.9078 0.0000 0.0000 34124.5736 -149443.4166 298.0184 -183567.9902 -149352.2841 298.8155 -34.8063 -4.6358 559473.3430 14.0001 14.1134 PRESSURE: 805400 165.847 0.240607 -65.6892 0.239674 133.502 99.3696 -65.6888 99.3715 -24.3313 GPRESSURE: 805400 191.771 74.2988 -57.5723 -96.9597 158.146 81.182 -118.926 161.092 19.5476 PRESSAVG: 805400 4.3467 57.3388 23.3782 57.3387 11.1956 0.0554145 23.3783 0.0553851 -35.8329 GPRESSAVG: 805400 4.16757 55.7182 23.58 58.5352 12.6923 -1.20311 22.7925 1.68359 -37.0648 TIMING: 805400 CPU: 2399.99, 0.00297461/step Wall: 2399.99, 0.00297461/step, 3.46591 hours remaining, 206.191406 MB of memory in use. ENERGY: 805400 747.4311 2063.5224 1914.9329 107.8308 -206569.3418 18102.8154 0.0000 0.0000 34104.8913 -149527.9179 297.8465 -183632.8092 -149436.0638 298.3588 91.6726 123.1549 556273.5474 -6.7635 -6.7350 PRESSURE: 805600 -6.18999 88.4748 -16.5725 88.4753 142.162 -81.3287 -16.5719 -81.3296 -25.6648 GPRESSURE: 805600 -5.70873 60.2897 3.58098 -16.2046 177.442 -62.1827 -8.74789 -60.0242 37.8534 PRESSAVG: 805600 -1.2464 -28.6439 51.4745 -28.6439 -16.4558 7.3065 51.4745 7.30662 41.0875 GPRESSAVG: 805600 -2.18552 -26.4897 53.3885 -28.6869 -17.3829 6.44974 49.5534 4.73629 43.0034 TIMING: 805600 CPU: 2400.59, 0.00296534/step Wall: 2400.59, 0.00296534/step, 3.45495 hours remaining, 206.191406 MB of memory in use. ENERGY: 805600 730.0318 2058.0826 1962.9232 103.4937 -206552.1225 18016.1233 0.0000 0.0000 34106.1660 -149575.3019 297.8576 -183681.4679 -149482.4779 298.4182 36.7692 69.8624 557053.7826 7.7951 7.8116 PRESSURE: 805800 49.2131 -14.916 -95.3537 -14.9145 12.9365 24.0306 -95.3523 24.032 93.162 GPRESSURE: 805800 83.3693 -50.1201 -61.1257 69.2927 38.3293 -67.3058 -68.6397 7.36716 127.503 PRESSAVG: 805800 -23.4572 -54.143 27.3351 -54.1429 32.3994 -32.8858 27.3351 -32.8858 28.0837 GPRESSAVG: 805800 -23.0914 -55.4673 25.5175 -53.6127 33.1002 -30.2314 31.4304 -31.6497 27.0831 TIMING: 805800 CPU: 2401.18, 0.00296702/step Wall: 2401.18, 0.00296702/step, 3.45674 hours remaining, 206.191406 MB of memory in use. ENERGY: 805800 733.5757 2062.1532 1936.9099 108.0671 -206362.1904 17831.0062 0.0000 0.0000 34101.9733 -149588.5051 297.8210 -183690.4784 -149492.8187 298.0120 51.7706 83.0671 556376.3663 12.3420 12.3640 PRESSURE: 806000 266.466 -87.5526 -133.427 -87.5522 -5.16615 151.209 -133.426 151.206 -72.1495 GPRESSURE: 806000 264.211 -197.657 -55.9481 -100.463 71.0471 98.0329 -185.719 79.3961 -48.1523 PRESSAVG: 806000 -65.5662 13.9283 15.3375 13.9285 22.7278 -8.01041 15.3375 -8.01036 36.1606 GPRESSAVG: 806000 -65.4935 12.1459 16.5527 14.8695 22.5135 -8.15691 12.957 -8.1006 36.4103 TIMING: 806000 CPU: 2401.77, 0.00296436/step Wall: 2401.77, 0.00296436/step, 3.45348 hours remaining, 206.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 806000 729.9608 2133.1579 1939.8175 111.2855 -206182.6088 17688.0345 0.0000 0.0000 34085.3613 -149494.9913 297.6759 -183580.3526 -149391.0470 298.3190 63.0502 95.7019 555278.4672 -2.2260 -2.1899 PRESSURE: 806200 -190.244 28.0193 28.8331 28.0202 -22.0772 79.5354 28.8327 79.534 -140.234 GPRESSURE: 806200 -192.838 -15.0463 -80.9384 120.115 -32.7773 89.514 154.426 78.8701 -17.0182 PRESSAVG: 806200 -15.6821 -16.8936 6.19213 -16.8937 18.4097 1.44471 6.19203 1.44475 28.8813 GPRESSAVG: 806200 -14.9156 -15.443 5.35364 -16.8537 17.3766 1.07399 6.97114 -0.144231 29.5471 TIMING: 806200 CPU: 2402.37, 0.00298321/step Wall: 2402.37, 0.00298321/step, 3.47527 hours remaining, 206.191406 MB of memory in use. ENERGY: 806200 741.3811 2059.8149 1940.7693 106.7167 -205888.8500 17689.4970 0.0000 0.0000 33912.3757 -149438.2953 296.1652 -183350.6710 -149337.6803 298.7283 -117.5183 -80.8780 556810.4001 10.5363 10.6694 PRESSURE: 806400 139.559 15.0511 82.3231 15.0514 -96.7129 44.1484 82.3223 44.148 -4.25542 GPRESSURE: 806400 146.04 32.9656 124.984 26.2672 -42.0744 63.4112 110.23 17.5684 35.765 PRESSAVG: 806400 -33.5791 24.3586 -22.7105 24.3587 30.0281 31.7747 -22.7106 31.7747 9.1692 GPRESSAVG: 806400 -33.9475 22.8277 -21.2518 27.2335 29.8894 29.8861 -23.9768 34.4678 9.27304 TIMING: 806400 CPU: 2402.97, 0.00297685/step Wall: 2402.97, 0.00297685/step, 3.4677 hours remaining, 206.191406 MB of memory in use. ENERGY: 806400 737.8763 2013.7749 1983.9949 117.2614 -206472.8820 17832.9628 0.0000 0.0000 34369.5306 -149417.4811 300.1577 -183787.0117 -149314.0070 298.7191 12.8637 46.5768 556115.6456 1.8727 1.7383 PRESSURE: 806600 -151.877 3.80852 78.3734 3.80856 -55.0975 124.375 78.3747 124.375 -568.326 GPRESSURE: 806600 -153.381 -37.2437 41.8529 20.1186 -7.81545 162.908 219.758 102.414 -517.145 PRESSAVG: 806600 -0.159976 14.2937 22.2793 14.2937 18.1636 2.33167 22.2794 2.3316 -36.0958 GPRESSAVG: 806600 -0.759136 13.6815 21.1815 9.65023 17.9489 3.26563 21.8999 -0.870952 -35.6004 TIMING: 806600 CPU: 2403.56, 0.00295754/step Wall: 2403.56, 0.00295754/step, 3.44505 hours remaining, 206.191406 MB of memory in use. ENERGY: 806600 758.5232 2127.5963 1913.8270 110.4923 -206400.2579 17638.7788 0.0000 0.0000 34331.2969 -149519.7434 299.8238 -183851.0403 -149423.1025 298.5228 -258.4332 -226.1136 557180.8498 -6.0307 -6.1369 PRESSURE: 806800 73.4714 19.4883 103.575 19.4878 130.839 40.5912 103.575 40.5902 144.5 GPRESSURE: 806800 36.3674 37.0205 74.9511 -46.6876 204.387 88.1077 53.7915 -6.24474 197.189 PRESSAVG: 806800 -65.0121 37.8203 16.1719 37.8203 70.8573 16.7182 16.1718 16.7182 -36.5637 GPRESSAVG: 806800 -64.5671 38.4639 15.877 39.9757 71.7377 17.8922 16.8597 17.73 -38.1149 TIMING: 806800 CPU: 2404.15, 0.00297677/step Wall: 2404.15, 0.00297677/step, 3.46727 hours remaining, 206.191406 MB of memory in use. ENERGY: 806800 721.4154 2078.8071 1931.2554 117.7549 -206355.4275 17892.6863 0.0000 0.0000 34227.1444 -149386.3639 298.9142 -183613.5084 -149287.9734 298.9309 116.2703 145.9809 556219.4896 -10.2395 -10.3148 PRESSURE: 807000 -412.18 155.182 -34.8347 155.183 -208.682 -11.0496 -34.8346 -11.0492 164.012 GPRESSURE: 807000 -405.86 121.696 -9.61772 121.264 -137.476 33.3053 -5.5733 -23.2296 170.861 PRESSAVG: 807000 13.7602 64.6389 6.81105 64.6388 55.9628 -46.5778 6.81101 -46.5777 -22.3612 GPRESSAVG: 807000 13.924 65.0143 6.08229 64.9829 54.7304 -48.9066 5.91232 -45.0211 -20.9164 TIMING: 807000 CPU: 2404.75, 0.00299292/step Wall: 2404.75, 0.00299292/step, 3.48592 hours remaining, 206.191406 MB of memory in use. ENERGY: 807000 742.2579 2104.2935 1960.0424 97.3702 -205770.9689 17588.1572 0.0000 0.0000 33974.8372 -149304.0105 296.7107 -183278.8477 -149205.4450 299.0509 -152.2834 -124.1584 557404.9475 15.7873 15.9127 PRESSURE: 807200 -312.575 186.518 -191.485 186.519 -289.981 -36.419 -191.485 -36.4209 -234.55 GPRESSURE: 807200 -279.946 264.726 -260.674 175.393 -268.709 -155.936 -125.663 38.9316 -205.836 PRESSAVG: 807200 20.4386 44.8889 11.2707 44.8889 -29.5971 -66.9167 11.2706 -66.9168 -61.1868 GPRESSAVG: 807200 20.8483 45.9184 12.0301 44.4582 -30.5974 -64.5239 12.1282 -68.0249 -61.1122 TIMING: 807200 CPU: 2405.35, 0.00297359/step Wall: 2405.35, 0.00297359/step, 3.46324 hours remaining, 206.191406 MB of memory in use. ENERGY: 807200 722.7874 2037.1370 1924.9144 114.2650 -205481.1589 17175.6474 0.0000 0.0000 34160.8324 -149345.5752 298.3350 -183506.4076 -149258.3687 298.7008 -279.0354 -251.4970 557779.5514 -23.4485 -23.6205 PRESSURE: 807400 -116.36 94.3704 -24.0995 94.3713 -319.42 -103.892 -24.0982 -103.892 -101.333 GPRESSURE: 807400 -20.8098 53.4036 21.3291 53.9483 -318.91 -215.593 -77.3528 -29.3759 -100.22 PRESSAVG: 807400 61.5345 61.4802 -11.6887 61.4802 -21.0295 -12.975 -11.6886 -12.9752 -33.8738 GPRESSAVG: 807400 61.221 60.7367 -12.0455 62.1632 -20.0028 -15.3847 -14.0702 -11.8422 -33.9822 TIMING: 807400 CPU: 2405.93, 0.00294541/step Wall: 2405.93, 0.00294541/step, 3.43026 hours remaining, 206.191406 MB of memory in use. ENERGY: 807400 702.2049 2078.4645 1963.0887 109.3339 -205973.1391 17633.5421 0.0000 0.0000 34227.9001 -149258.6050 298.9208 -183486.5051 -149161.8795 298.8665 -179.0377 -146.6464 558183.1857 2.2104 2.4120 PRESSURE: 807600 66.4022 11.9401 -69.3383 11.9401 81.9529 -32.4884 -69.3389 -32.4892 -163.446 GPRESSURE: 807600 110.36 45.0028 -120.068 -36.0528 123.214 -52.0029 -119.357 -58.7026 -157.9 PRESSAVG: 807600 41.5743 38.1746 29.7957 38.1747 -6.4564 -27.0367 29.7956 -27.0367 -24.7997 GPRESSAVG: 807600 40.0324 36.9206 29.1973 38.4067 -6.49268 -23.4168 30.6256 -28.4283 -23.7787 TIMING: 807600 CPU: 2406.53, 0.0029631/step Wall: 2406.53, 0.0029631/step, 3.4507 hours remaining, 206.191406 MB of memory in use. ENERGY: 807600 760.6584 2043.8145 1942.8998 120.7877 -205868.4959 17748.3086 0.0000 0.0000 34061.0141 -149191.0129 297.4633 -183252.0270 -149100.4058 299.6394 -5.0304 25.2247 558031.4046 3.4394 3.2537 PRESSURE: 807800 106.342 31.3622 55.1996 31.3626 303.248 -36.7248 55.2018 -36.7251 251.961 GPRESSURE: 807800 143.04 40.4859 104.298 83.3441 317.766 -61.251 46.0966 -41.1478 285.857 PRESSAVG: 807800 8.985 -10.3143 24.1174 -10.3142 70.0453 31.7449 24.1174 31.745 -39.5891 GPRESSAVG: 807800 10.4166 -9.29092 26.8627 -10.9751 70.0351 27.779 22.1518 34.6947 -41.0953 TIMING: 807800 CPU: 2407.12, 0.00296673/step Wall: 2407.12, 0.00296673/step, 3.45476 hours remaining, 206.191406 MB of memory in use. ENERGY: 807800 722.5794 2073.4770 1922.8481 109.0459 -206227.3103 18019.4410 0.0000 0.0000 34041.0379 -149338.8811 297.2889 -183379.9190 -149246.0192 299.0824 220.5172 248.8875 557234.9590 13.1471 13.1188 PRESSURE: 808000 -144.062 -14.7912 -31.3232 -14.7929 -156.398 102.165 -31.3219 102.166 -230.495 GPRESSURE: 808000 -93.6229 10.7629 -26.2424 -26.0954 -107.125 99.6796 -74.4886 67.6678 -235.956 PRESSAVG: 808000 -66.7197 59.3025 36.8587 59.3025 66.7324 39.0587 36.8588 39.0589 31.3062 GPRESSAVG: 808000 -65.9948 59.5607 34.3993 59.3039 65.9499 41.5009 41.0487 37.8755 31.4089 TIMING: 808000 CPU: 2407.72, 0.0029878/step Wall: 2407.72, 0.0029878/step, 3.47912 hours remaining, 206.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 808000 756.9862 2069.2784 1929.0381 123.0436 -205683.0649 17494.1788 0.0000 0.0000 34245.6549 -149064.8849 299.0758 -183310.5398 -148969.2378 299.5733 -176.9851 -145.5678 557035.6706 10.4396 10.4546 PRESSURE: 808200 66.6808 -25.6694 -40.1346 -25.67 52.33 -104.312 -40.1348 -104.314 49.9241 GPRESSURE: 808200 27.6549 -38.478 -36.8345 50.7934 177.622 -172.608 -81.4645 -76.245 39.7238 PRESSAVG: 808200 -20.9544 41.4471 18.4196 41.4471 5.0976 19.1788 18.4194 19.1787 -35.7967 GPRESSAVG: 808200 -22.868 41.8312 18.1341 41.1509 5.65241 20.9346 17.6596 16.6111 -34.6058 TIMING: 808200 CPU: 2408.31, 0.00296014/step Wall: 2408.31, 0.00296014/step, 3.44675 hours remaining, 206.191406 MB of memory in use. ENERGY: 808200 746.6167 2095.3987 1901.5412 118.4060 -206248.0049 17808.1760 0.0000 0.0000 34448.9201 -149128.9461 300.8510 -183577.8662 -149029.9948 299.9779 56.3116 81.6668 558088.1362 -17.2178 -17.2738 LDB: ============= START OF LOAD BALANCING ============== 2411.86 LDB: ============== END OF LOAD BALANCING =============== 2411.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2411.86 LDB: ============= START OF LOAD BALANCING ============== 2412.15 LDB: Largest compute 4796 load 0.028792 is 24.4% of average load 0.118208 LDB: Average compute 0.001720 is 1.5% of average load 0.118208 LDB: TIME 2412.16 LOAD: AVG 0.118208 MAX 0.206322 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.703 MB LDB: TIME 2412.16 LOAD: AVG 0.118208 MAX 0.206322 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: TIME 2412.16 LOAD: AVG 0.118208 MAX 0.206322 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2412.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2412.16 PRESSURE: 808400 -363.951 193.719 -82.4822 193.72 165.054 -96.8762 -82.4816 -96.8758 183.61 GPRESSURE: 808400 -314.371 248.664 -52.4771 211.368 213.515 -19.7122 -171.646 -91.7299 180.814 PRESSAVG: 808400 -54.8515 55.0826 5.20961 55.0826 34.6281 8.15981 5.20964 8.15976 26.2197 GPRESSAVG: 808400 -54.2392 54.5973 4.65443 56.1848 34.261 5.06562 2.82904 10.1623 25.6819 TIMING: 808400 CPU: 2408.91, 0.0030108/step Wall: 2408.91, 0.0030108/step, 3.50558 hours remaining, 207.984375 MB of memory in use. ENERGY: 808400 759.9770 2054.0975 1946.5440 109.5178 -206089.8083 17761.4295 0.0000 0.0000 34302.5491 -149155.6933 299.5727 -183458.2424 -149059.2844 298.8151 -5.0958 26.6527 557417.1084 1.9988 1.9012 PRESSURE: 808600 128.707 -33.254 -91.3194 -33.2543 -212.328 13.6965 -91.3197 13.6976 -68.2371 GPRESSURE: 808600 143.635 -11.791 -36.5783 45.5087 -126.213 9.48 -24.9946 35.8038 -57.8466 PRESSAVG: 808600 -46.6401 75.739 -1.34192 75.739 -6.79863 -14.7774 -1.34184 -14.7774 -11.8613 GPRESSAVG: 808600 -46.5367 76.5334 -0.504493 75.3843 -7.20697 -14.1522 -1.12523 -14.1908 -11.344 TIMING: 808600 CPU: 2409.51, 0.00296932/step Wall: 2409.51, 0.00296932/step, 3.45711 hours remaining, 207.984375 MB of memory in use. ENERGY: 808600 734.5316 2070.3169 1927.2001 102.3407 -206081.5403 17672.1626 0.0000 0.0000 34334.7838 -149240.2046 299.8542 -183574.9883 -149143.8445 299.2315 -50.6196 -13.4749 556081.1442 -21.7667 -21.6959 PRESSURE: 808800 -177.241 200.191 -94.7726 200.191 -20.3788 -36.4946 -94.7728 -36.4945 -68.7361 GPRESSURE: 808800 -196.332 184.657 -95.1069 198.072 21.6195 -14.1453 -112.224 -107.181 -7.68217 PRESSAVG: 808800 31.4274 29.2807 -65.8796 29.2807 51.6625 -33.5277 -65.8797 -33.5277 -59.6726 GPRESSAVG: 808800 32.271 27.0559 -65.109 28.5492 52.8042 -36.0004 -64.8636 -33.356 -61.4252 TIMING: 808800 CPU: 2410.1, 0.00298418/step Wall: 2410.1, 0.00298418/step, 3.47424 hours remaining, 207.984375 MB of memory in use. ENERGY: 808800 788.4827 2041.5402 1955.1526 118.4924 -206195.8116 17609.3091 0.0000 0.0000 34339.0088 -149343.8257 299.8911 -183682.8346 -149246.5748 298.8786 -88.7854 -60.7981 556367.1428 7.8058 7.8834 PRESSURE: 809000 -120.674 -92.5216 -35.4661 -92.5219 -193.412 -87.8476 -35.4653 -87.8476 -194.815 GPRESSURE: 809000 -136.308 -121.816 -40.337 -90.4041 -161.811 -56.2303 9.6225 -65.6322 -126.917 PRESSAVG: 809000 7.92012 7.99517 17.682 7.99516 0.777575 -14.4843 17.682 -14.4842 -29.9704 GPRESSAVG: 809000 5.33076 9.21069 16.2958 7.69147 1.88055 -10.2548 17.4975 -17.7496 -28.1501 TIMING: 809000 CPU: 2410.7, 0.00296836/step Wall: 2410.7, 0.00296836/step, 3.45567 hours remaining, 207.984375 MB of memory in use. ENERGY: 809000 794.6420 2086.3072 1961.0244 109.1051 -206364.8671 17675.7243 0.0000 0.0000 34314.5001 -149423.5640 299.6771 -183738.0641 -149326.9441 299.0726 -169.6338 -141.6789 557002.2387 -7.0909 -6.9796 PRESSURE: 809200 191.594 189.802 -149.253 189.803 140.405 109.023 -149.253 109.022 -217.086 GPRESSURE: 809200 225.498 158.858 -168.788 220.649 122.126 134.868 -154.289 107.84 -138.636 PRESSAVG: 809200 51.5372 -33.2035 -2.67716 -33.2036 -30.2769 26.9252 -2.67718 26.9251 -16.2668 GPRESSAVG: 809200 52.8313 -31.2105 -2.44832 -32.7723 -31.726 24.8898 -3.24977 28.0156 -16.4717 TIMING: 809200 CPU: 2411.29, 0.00296993/step Wall: 2411.29, 0.00296993/step, 3.45733 hours remaining, 207.984375 MB of memory in use. ENERGY: 809200 723.9595 2061.2442 1962.4782 110.3685 -206500.0982 17908.4386 0.0000 0.0000 34249.0481 -149484.5610 299.1055 -183733.6092 -149393.6427 299.0187 38.3042 69.6629 557178.1888 1.6645 1.5446 PRESSURE: 809400 -167.816 7.24581 105.331 7.24442 -10.6072 -155.957 105.331 -155.954 109.04 GPRESSURE: 809400 -104.363 18.8452 9.28781 -54.9539 -14.8438 -141.136 166.79 -118.607 143.508 PRESSAVG: 809400 -13.2737 28.3945 -86.2947 28.3944 20.5679 12.8377 -86.2947 12.8376 -12.6718 GPRESSAVG: 809400 -12.8686 27.368 -85.6057 29.4 21.53 14.3394 -85.7973 13.8705 -13.4978 TIMING: 809400 CPU: 2411.89, 0.00298285/step Wall: 2411.89, 0.00298285/step, 3.47221 hours remaining, 207.984375 MB of memory in use. ENERGY: 809400 756.4469 2131.1072 1917.2537 89.5347 -206374.4263 17774.4759 0.0000 0.0000 34184.2592 -149521.3486 298.5396 -183705.6078 -149426.6342 298.6100 -23.1277 8.1004 556791.9767 -1.7925 -1.6121 PRESSURE: 809600 -31.8771 45.8146 11.5742 45.8158 -261.638 -67.728 11.5753 -67.729 167.21 GPRESSURE: 809600 -38.888 140.033 43.0989 26.8126 -127.07 -74.3118 9.9334 -88.9973 142.376 PRESSAVG: 809600 24.3057 -12.4809 9.55574 -12.4809 -29.3116 -38.996 9.55571 -38.9962 10.7994 GPRESSAVG: 809600 23.6246 -11.956 9.07694 -14.1514 -28.593 -39.1691 9.71927 -39.5218 10.847 TIMING: 809600 CPU: 2412.48, 0.00295323/step Wall: 2412.48, 0.00295323/step, 3.43756 hours remaining, 207.984375 MB of memory in use. ENERGY: 809600 771.5317 2112.6423 1921.5994 127.7591 -206481.5902 17856.4084 0.0000 0.0000 34165.9682 -149525.6811 298.3799 -183691.6493 -149432.0478 298.0934 -42.1015 -7.8609 557103.3954 1.9312 1.9595 PRESSURE: 809800 65.1434 16.6305 26.8874 16.6298 -83.2739 -86.3133 26.8863 -86.313 136.089 GPRESSURE: 809800 28.5908 74.6309 -23.6175 28.3137 -50.6234 -115.153 88.2014 -111.049 234.549 PRESSAVG: 809800 -68.1813 12.4893 30.0785 12.4894 32.9239 35.5001 30.0785 35.5002 9.90763 GPRESSAVG: 809800 -67.5339 8.78467 30.9349 14.7877 32.3961 37.5451 29.2375 34.0041 10.4165 TIMING: 809800 CPU: 2413.07, 0.00295437/step Wall: 2413.07, 0.00295437/step, 3.43873 hours remaining, 207.984375 MB of memory in use. ENERGY: 809800 703.5055 2188.7040 1901.0745 116.4393 -206355.5843 17866.5711 0.0000 0.0000 34171.7410 -149407.5489 298.4303 -183579.2899 -149314.3891 298.4589 39.3196 70.8387 557116.6901 -8.4499 -8.2404 PRESSURE: 810000 126.94 -22.8211 -75.1617 -22.8211 28.8076 16.6979 -75.1613 16.6987 -241.149 GPRESSURE: 810000 199.189 -75.1911 -82.451 45.6472 29.9897 -0.772843 -184.333 -9.93936 -219.965 PRESSAVG: 810000 5.34655 -4.55934 31.8074 -4.55933 -25.7712 5.31846 31.8074 5.31837 29.0767 GPRESSAVG: 810000 6.68394 -2.25976 29.1164 -6.78858 -25.2454 3.6615 32.8455 6.77569 27.6133 TIMING: 810000 CPU: 2413.66, 0.00295662/step Wall: 2413.66, 0.00295662/step, 3.44117 hours remaining, 207.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 810000 759.0074 2149.0511 1898.9260 108.2317 -206393.6241 17859.5268 0.0000 0.0000 34128.5150 -149490.3661 298.0528 -183618.8812 -149397.4610 298.4495 -28.4673 3.0712 556664.0985 2.8840 3.0173 PRESSURE: 810200 -512.913 142.475 135.103 142.477 -159.905 9.3903 135.103 9.39081 31.0451 GPRESSURE: 810200 -416.975 133.455 70.6949 164.585 -137.224 55.1311 143.107 -63.0703 -4.19165 PRESSAVG: 810200 -86.2596 -31.9911 -8.06798 -31.9911 35.1625 -15.7186 -8.06788 -15.7186 14.8156 GPRESSAVG: 810200 -86.4225 -31.9664 -7.67094 -31.1689 33.7104 -16.0739 -6.07245 -14.5047 16.5249 TIMING: 810200 CPU: 2414.25, 0.00296012/step Wall: 2414.25, 0.00296012/step, 3.44509 hours remaining, 207.984375 MB of memory in use. ENERGY: 810200 822.3168 2079.8400 1953.8237 102.7879 -206018.9812 17525.7817 0.0000 0.0000 34120.7182 -149413.7129 297.9847 -183534.4311 -149325.3141 298.8059 -213.9242 -186.1302 558707.8157 -12.0938 -12.0624 PRESSURE: 810400 -109.639 128.95 -94.9517 128.951 -85.8881 32.8657 -94.9511 32.8651 150.058 GPRESSURE: 810400 -92.7689 96.0958 -123.98 96.5846 -89.2649 104.699 -8.65964 7.5848 247.332 PRESSAVG: 810400 -29.1338 62.2856 21.3572 62.2856 -15.8954 11.5117 21.3573 11.5116 64.8046 GPRESSAVG: 810400 -28.3324 62.8327 23.4959 60.9626 -16.3238 11.807 18.5081 10.64 64.979 TIMING: 810400 CPU: 2414.84, 0.0029531/step Wall: 2414.84, 0.0029531/step, 3.43676 hours remaining, 207.984375 MB of memory in use. ENERGY: 810400 717.9075 2117.3676 1927.9107 121.2949 -206398.2136 17894.2388 0.0000 0.0000 34059.8741 -149559.6199 297.4534 -183619.4940 -149459.6821 298.5787 -15.1561 21.7661 556782.2811 6.5918 6.7743 PRESSURE: 810600 32.1062 -81.4918 119.951 -81.4909 39.219 109.852 119.953 109.853 -17.6925 GPRESSURE: 810600 -1.14258 -48.0269 78.9586 -57.7166 82.2495 84.3222 74.3264 95.0229 71.3667 PRESSAVG: 810600 38.1917 47.0454 -23.1637 47.0455 -50.4271 -10.4439 -23.1636 -10.4438 18.1319 GPRESSAVG: 810600 37.6027 46.9719 -24.9014 46.9045 -49.7562 -9.46498 -23.6216 -12.5599 18.3581 TIMING: 810600 CPU: 2415.43, 0.0029594/step Wall: 2415.43, 0.0029594/step, 3.44392 hours remaining, 207.984375 MB of memory in use. ENERGY: 810600 762.1680 2142.1805 1933.7652 110.7674 -206254.2797 17807.1346 0.0000 0.0000 34222.0624 -149276.2016 298.8698 -183498.2640 -149177.5683 298.9893 17.8776 50.8246 557462.8505 1.9655 2.0682 PRESSURE: 810800 121.828 66.6423 71.1341 66.6436 -61.7229 16.7239 71.1335 16.7259 -38.6306 GPRESSURE: 810800 201.816 29.5467 80.0806 50.7211 -54.3832 31.8539 -68.6021 -11.0468 -23.9334 PRESSAVG: 810800 -18.8855 -29.4032 43.3654 -29.4031 47.9838 -36.9722 43.3653 -36.9721 -63.4994 GPRESSAVG: 810800 -18.6088 -30.1632 43.7913 -27.5139 47.2472 -39.3714 45.0304 -33.633 -63.6726 TIMING: 810800 CPU: 2416.02, 0.00293294/step Wall: 2416.02, 0.00293294/step, 3.41297 hours remaining, 207.984375 MB of memory in use. ENERGY: 810800 758.5424 2118.5857 1953.1160 131.6776 -206060.1680 17831.9967 0.0000 0.0000 34223.6008 -149042.6488 298.8832 -183266.2496 -148953.7525 299.4676 7.1582 41.1666 556657.4760 -11.4671 -11.6781 PRESSURE: 811000 -190.462 -43.0055 -25.0179 -43.0069 -95.1769 147.033 -25.0184 147.032 -14.1756 GPRESSURE: 811000 -76.6829 -115.198 -36.1797 -16.1077 -120.022 52.3027 -12.6192 178.01 -10.0354 PRESSAVG: 811000 4.32873 16.4117 -5.45938 16.4117 1.95026 -6.02873 -5.45944 -6.0288 -4.35758 GPRESSAVG: 811000 4.14934 17.722 -5.77167 16.6838 3.10709 -5.71878 -6.92035 -7.34128 -5.07434 TIMING: 811000 CPU: 2416.61, 0.00292977/step Wall: 2416.61, 0.00292977/step, 3.40912 hours remaining, 207.984375 MB of memory in use. ENERGY: 811000 718.2135 2093.2413 1941.9653 108.4164 -206194.4116 17761.7485 0.0000 0.0000 34434.2170 -149136.6096 300.7226 -183570.8266 -149035.0091 299.9425 -99.9383 -68.9133 557655.9284 0.6405 0.7274 PRESSURE: 811200 -24.5062 65.9826 -150.996 65.9816 -203.093 -83.9717 -150.994 -83.9722 -19.8062 GPRESSURE: 811200 15.2334 134.821 -144.927 31.5513 -168.058 -85.8602 -110.073 -32.3055 1.31499 PRESSAVG: 811200 -5.93362 35.73 14.7217 35.73 -34.5993 24.6895 14.7218 24.6895 28.0368 GPRESSAVG: 811200 -4.26008 35.3108 18.1463 34.6268 -35.0016 25.6319 13.5059 23.0509 26.9878 TIMING: 811200 CPU: 2417.2, 0.00295589/step Wall: 2417.2, 0.00295589/step, 3.43934 hours remaining, 207.984375 MB of memory in use. ENERGY: 811200 734.4556 2111.1510 1937.1604 122.7024 -205820.4433 17598.3050 0.0000 0.0000 34169.3616 -149147.3073 298.4095 -183316.6689 -149048.3607 299.3282 -82.4685 -50.5031 556336.0726 -4.1654 -4.0913 PRESSURE: 811400 17.9239 -32.6729 95.6454 -32.6728 -92.6701 8.96837 95.6459 8.96829 228.388 GPRESSURE: 811400 99.077 37.5916 95.6572 -55.2343 -84.569 -5.81521 73.2308 -42.997 228.413 PRESSAVG: 811400 -26.8077 27.9237 8.34316 27.9238 11.0833 3.14156 8.34329 3.14157 -13.5284 GPRESSAVG: 811400 -28.6743 26.1565 5.75071 28.9576 12.8598 -0.0200708 10.9943 5.44451 -13.3522 TIMING: 811400 CPU: 2417.79, 0.00297666/step Wall: 2417.79, 0.00297666/step, 3.46334 hours remaining, 207.984375 MB of memory in use. ENERGY: 811400 764.1973 2120.2711 1901.8418 116.4092 -206286.5359 17989.1720 0.0000 0.0000 34290.1392 -149104.5054 299.4643 -183394.6445 -149012.3299 299.3883 51.2138 80.9736 556796.3810 -9.7509 -9.7222 PRESSURE: 811600 195.276 -128.732 -112.928 -128.731 378.926 -88.5859 -112.928 -88.5862 245.103 GPRESSURE: 811600 282.968 -129.743 -50.5138 -82.5851 360.62 -116.191 -115.075 -17.8395 274.133 PRESSAVG: 811600 39.145 24.7779 39.8415 24.778 5.59946 -15.3328 39.8414 -15.3327 -0.900089 GPRESSAVG: 811600 39.1759 26.0207 40.2069 24.9849 5.63918 -12.0894 37.9201 -17.2452 -0.830554 TIMING: 811600 CPU: 2418.39, 0.00297634/step Wall: 2418.39, 0.00297634/step, 3.46281 hours remaining, 207.984375 MB of memory in use. ENERGY: 811600 765.1966 2080.5423 1924.8188 110.1889 -206668.2128 18341.2369 0.0000 0.0000 34175.2844 -149270.9449 298.4613 -183446.2294 -149173.5505 299.1525 273.1014 305.9068 556638.0695 14.6148 14.6615 PRESSURE: 811800 53.5691 73.0238 266.721 73.024 -46.6296 153.346 266.721 153.347 204.031 GPRESSURE: 811800 53.8324 -65.7497 269.803 159.693 -14.6094 147.764 321.429 149.395 266.569 PRESSAVG: 811800 -4.2031 -49.701 -26.7928 -49.7011 -10.1369 -11.6766 -26.7927 -11.6766 27.069 GPRESSAVG: 811800 -2.96924 -50.5898 -27.6133 -49.8234 -11.2599 -12.8378 -24.9556 -10.3441 26.8255 TIMING: 811800 CPU: 2418.99, 0.00298641/step Wall: 2418.99, 0.00298641/step, 3.47436 hours remaining, 207.984375 MB of memory in use. ENERGY: 811800 749.0122 2115.7064 1914.6591 124.0389 -206308.0702 17836.9389 0.0000 0.0000 34216.6863 -149351.0283 298.8228 -183567.7147 -149251.7060 299.3657 70.3236 101.9308 556841.3048 4.2430 4.1988 PRESSURE: 812000 230.744 82.8381 46.9988 82.8384 -53.1189 49.5481 46.9976 49.5477 2.31363 GPRESSURE: 812000 269.305 109.181 99.792 78.0256 -33.4318 181.543 -0.965553 -32.5484 37.4994 PRESSAVG: 812000 -4.13846 -28.0309 60.5355 -28.0309 -10.8509 -40.0705 60.5355 -40.0705 2.56284 GPRESSAVG: 812000 -3.15386 -27.2931 62.4168 -28.0943 -10.976 -40.2918 60.8077 -40.7379 1.35229 TIMING: 812000 CPU: 2419.59, 0.00300977/step Wall: 2419.59, 0.00300977/step, 3.50136 hours remaining, 207.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 812000 719.0058 2137.6481 1956.0959 105.0004 -206219.0621 17932.5643 0.0000 0.0000 34100.2663 -149268.4813 297.8061 -183368.7476 -149170.3977 298.5020 59.9797 91.1241 558500.9212 -4.1422 -4.2592 PRESSURE: 812200 316.875 70.2643 -14.3474 70.2638 41.5154 82.4039 -14.3482 82.4032 51.2914 GPRESSURE: 812200 292.993 213.56 -55.9817 -5.92757 88.8888 81.9768 -124.542 106.456 122.992 PRESSAVG: 812200 12.6041 85.317 -14.5952 85.317 22.8437 -11.8727 -14.5953 -11.8727 -55.9664 GPRESSAVG: 812200 10.5962 84.8627 -16.5962 85.0201 21.3206 -10.2493 -16.612 -12.3882 -52.5023 TIMING: 812200 CPU: 2420.18, 0.00296783/step Wall: 2420.18, 0.00296783/step, 3.45242 hours remaining, 207.984375 MB of memory in use. ENERGY: 812200 734.6375 2117.8323 1952.4799 108.5061 -206268.3532 17988.2422 0.0000 0.0000 34213.6425 -149153.0128 298.7962 -183366.6552 -149055.4846 298.5958 136.5606 168.2913 556756.7526 -6.8395 -6.8618 LDB: ============= START OF LOAD BALANCING ============== 2423.73 LDB: ============== END OF LOAD BALANCING =============== 2423.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2423.73 LDB: ============= START OF LOAD BALANCING ============== 2424.04 LDB: Largest compute 4796 load 0.029943 is 25.3% of average load 0.118137 LDB: Average compute 0.001728 is 1.5% of average load 0.118137 LDB: TIME 2424.04 LOAD: AVG 0.118137 MAX 0.209446 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.504 MB LDB: TIME 2424.04 LOAD: AVG 0.118137 MAX 0.209446 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.566 MB LDB: TIME 2424.04 LOAD: AVG 0.118137 MAX 0.209446 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.566 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2424.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2424.04 PRESSURE: 812400 150.874 -64.2346 -25.5426 -64.2356 52.1099 69.729 -25.5407 69.7286 -62.804 GPRESSURE: 812400 202.716 -58.3599 12.6479 -47.2131 19.6954 71.4512 -24.4716 34.7616 21.4964 PRESSAVG: 812400 32.4576 13.9737 -15.7155 13.9735 -54.3206 48.1508 -15.7155 48.1508 41.2877 GPRESSAVG: 812400 32.5834 14.1952 -16.4145 14.7545 -53.9287 44.982 -13.423 50.8971 40.2445 TIMING: 812400 CPU: 2420.8, 0.00306609/step Wall: 2420.8, 0.00306609/step, 3.56654 hours remaining, 207.015625 MB of memory in use. ENERGY: 812400 756.8899 2114.9603 1932.9738 112.1114 -206055.3361 17750.4887 0.0000 0.0000 34175.7543 -149212.1577 298.4654 -183387.9120 -149123.3216 299.6716 46.7267 81.3028 557216.7034 6.4749 6.2998 PRESSURE: 812600 45.524 -149.398 -79.5747 -149.4 200.621 -31.8902 -79.5736 -31.8903 -221.891 GPRESSURE: 812600 72.0128 -193.559 -25.9182 -114.256 225.718 -86.4181 -123.54 -4.3673 -185.064 PRESSAVG: 812600 -37.4445 -18.8003 8.53179 -18.8004 121.681 21.6273 8.53181 21.6275 -48.33 GPRESSAVG: 812600 -36.3839 -18.8487 9.8225 -19.7515 121.989 21.798 6.18455 22.3351 -49.4957 TIMING: 812600 CPU: 2421.4, 0.00300255/step Wall: 2421.4, 0.00300255/step, 3.49246 hours remaining, 207.015625 MB of memory in use. ENERGY: 812600 703.5366 2174.0011 1949.4320 117.1247 -206217.9226 17818.6414 0.0000 0.0000 34234.2558 -149220.9311 298.9763 -183455.1869 -149120.9902 298.9672 8.0847 37.5555 557666.0860 11.9687 12.0364 PRESSURE: 812800 -73.4924 -89.0694 -67.084 -89.0691 82.6571 -37.4039 -67.0845 -37.4031 34.5064 GPRESSURE: 812800 -71.8175 -89.5356 -33.8656 9.84239 123.618 -51.4091 -9.09747 -75.4019 83.2986 PRESSAVG: 812800 -56.2583 -13.6643 -2.20039 -13.6644 68.7194 -20.7819 -2.20022 -20.7819 -68.4976 GPRESSAVG: 812800 -56.6809 -14.2694 -0.487562 -13.2858 67.6286 -19.3882 -2.29851 -22.5613 -66.6752 TIMING: 812800 CPU: 2421.99, 0.00298405/step Wall: 2421.99, 0.00298405/step, 3.47078 hours remaining, 207.015625 MB of memory in use. ENERGY: 812800 780.6351 2125.6371 1928.0932 116.8259 -206474.2890 17958.1480 0.0000 0.0000 34297.6249 -149267.3247 299.5297 -183564.9496 -149174.6340 299.5022 14.5571 45.0331 557434.4151 -18.6788 -18.5758 PRESSURE: 813000 -176.729 -165.234 -20.1933 -165.234 -145.801 121.848 -20.1939 121.849 55.4373 GPRESSURE: 813000 -128.103 -107.147 -31.3408 -142.917 -126.904 158.222 64.6298 97.3894 96.9028 PRESSAVG: 813000 -17.2593 -73.6442 -9.15153 -73.6442 10.0853 34.6237 -9.15154 34.6236 33.3991 GPRESSAVG: 813000 -17.3052 -72.7635 -10.5514 -72.2915 10.6105 36.3037 -7.76378 32.2522 32.4737 TIMING: 813000 CPU: 2422.58, 0.0029573/step Wall: 2422.58, 0.0029573/step, 3.43951 hours remaining, 207.015625 MB of memory in use. ENERGY: 813000 738.6487 2151.0441 1928.0095 120.5630 -206090.6809 17714.8467 0.0000 0.0000 34373.5070 -149064.0620 300.1924 -183437.5691 -148961.2338 300.1063 -89.0310 -52.7012 557721.2921 8.7417 8.5930 PRESSURE: 813200 41.8523 -1.52291 -44.2706 -1.52299 121.326 -80.5827 -44.2704 -80.5839 41.8425 GPRESSURE: 813200 123.271 -7.56094 -63.4706 10.7325 77.0932 -46.0308 -2.67358 -12.7633 90.6654 PRESSAVG: 813200 -31.4805 -84.708 -27.0989 -84.708 2.35057 23.8536 -27.0989 23.8536 44.1571 GPRESSAVG: 813200 -31.5134 -83.5425 -27.0527 -86.6027 2.35489 22.7812 -28.1422 27.0824 44.1102 TIMING: 813200 CPU: 2423.18, 0.00298917/step Wall: 2423.18, 0.00298917/step, 3.47641 hours remaining, 207.015625 MB of memory in use. ENERGY: 813200 698.6505 2144.3857 1966.1020 120.9394 -206003.4950 17852.3528 0.0000 0.0000 34181.6624 -149039.4023 298.5170 -183221.0646 -148947.1779 299.5713 68.3402 97.0097 558735.4042 5.0090 4.9839 PRESSURE: 813400 4.08631 41.9115 4.77278 41.9103 5.48208 114.746 4.77174 114.747 -48.4823 GPRESSURE: 813400 55.5789 34.9769 67.1509 45.5134 51.1463 127.267 -9.13904 81.2554 -47.9331 PRESSAVG: 813400 42.4255 -67.146 6.15826 -67.1459 -2.46121 -0.337287 6.15828 -0.337357 -7.25932 GPRESSAVG: 813400 41.9385 -67.2486 4.39578 -67.1139 -1.70265 -2.10512 6.60956 -0.427654 -6.95944 TIMING: 813400 CPU: 2423.78, 0.00299963/step Wall: 2423.78, 0.00299963/step, 3.4884 hours remaining, 207.015625 MB of memory in use. ENERGY: 813400 758.0638 2033.9426 1930.7494 113.6162 -205922.4929 17803.8223 0.0000 0.0000 34210.5457 -149071.7528 298.7692 -183282.2985 -148978.9373 299.9078 -12.9713 19.5974 557536.7504 10.9017 11.0922 PRESSURE: 813600 -68.6309 -72.9376 34.3657 -72.9368 122.353 -15.3837 34.3646 -15.3818 -104.944 GPRESSURE: 813600 -60.0286 -21.1319 177.089 -129.008 202.047 -9.65748 -24.8543 -42.149 -92.774 PRESSAVG: 813600 -36.1749 -21.8733 56.7204 -21.8733 -10.4015 68.9389 56.7203 68.9389 42.0979 GPRESSAVG: 813600 -34.9847 -22.3048 59.4646 -22.7698 -11.6206 69.1832 54.3252 69.2965 42.7315 TIMING: 813600 CPU: 2424.38, 0.00299992/step Wall: 2424.38, 0.00299992/step, 3.48857 hours remaining, 207.015625 MB of memory in use. ENERGY: 813600 734.2200 2090.7522 1967.9989 112.8407 -206086.1347 17818.7753 0.0000 0.0000 34132.3391 -149229.2084 298.0862 -183361.5475 -149134.0563 299.2956 -17.0738 16.4149 557657.9926 -1.4928 -1.2913 PRESSURE: 813800 -141.349 152.349 116.011 152.349 179.715 -104.349 116.01 -104.349 106.022 GPRESSURE: 813800 -50.7766 113.631 90.5503 142.221 192.389 -72.1173 103.559 -103.095 94.3468 PRESSAVG: 813800 34.9833 -12.2108 6.3747 -12.2107 -5.58064 30.8079 6.37479 30.8079 23.2994 GPRESSAVG: 813800 34.7884 -9.74741 3.98988 -13.8507 -5.67768 32.8688 8.47824 30.1722 22.8702 TIMING: 813800 CPU: 2424.98, 0.0029945/step Wall: 2424.98, 0.0029945/step, 3.48211 hours remaining, 207.015625 MB of memory in use. ENERGY: 813800 713.6551 2113.1324 1932.7709 114.3475 -206243.5550 17844.4674 0.0000 0.0000 34469.9506 -149055.2312 301.0347 -183525.1818 -148953.6767 299.5927 48.1290 78.6530 558168.1937 17.5674 17.3270 PRESSURE: 814000 96.8036 -50.6358 111.583 -50.6354 243.497 -93.9497 111.584 -93.9499 74.4995 GPRESSURE: 814000 147.32 46.4394 66.7404 -213.324 275.233 -55.7884 161.153 -120.143 79.3105 PRESSAVG: 814000 -43.218 40.6845 -8.78509 40.6845 5.20791 -23.2442 -8.78505 -23.2443 26.5222 GPRESSAVG: 814000 -44.0516 39.7366 -7.52066 40.8873 5.49848 -24.0202 -10.3536 -23.0432 27.1128 TIMING: 814000 CPU: 2425.57, 0.00296066/step Wall: 2425.57, 0.00296066/step, 3.44259 hours remaining, 207.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 814000 761.9988 2089.7344 1914.9018 108.5842 -206467.9685 18171.0319 0.0000 0.0000 34320.3853 -149101.3320 299.7285 -183421.7173 -149002.6952 299.6768 138.2667 167.2877 558756.7835 -3.8293 -3.8134 PRESSURE: 814200 101.718 9.3902 -10.892 9.39031 160.782 30.4294 -10.8917 30.4311 -27.1692 GPRESSURE: 814200 133.57 14.1325 8.10541 -59.714 195.853 24.3393 -29.6183 -1.14778 10.2382 PRESSAVG: 814200 -32.5745 -37.9424 33.089 -37.9425 28.0151 0.00146425 33.089 0.00150971 -16.6509 GPRESSAVG: 814200 -32.2946 -39.1827 30.9609 -35.7296 28.0787 1.0271 34.9689 -1.3374 -17.8432 TIMING: 814200 CPU: 2426.16, 0.00293413/step Wall: 2426.16, 0.00293413/step, 3.41158 hours remaining, 207.015625 MB of memory in use. ENERGY: 814200 757.3748 2130.5542 1926.4908 109.1385 -206257.2641 18058.0301 0.0000 0.0000 34380.8293 -148894.8462 300.2563 -183275.6756 -148803.8956 300.4972 78.4439 113.2203 558357.9283 -7.0701 -7.3531 PRESSURE: 814400 -23.7149 220.718 -0.530756 220.717 20.0539 -58.8128 -0.530224 -58.8132 -65.96 GPRESSURE: 814400 -6.8734 159.257 -70.9106 176.359 65.9891 -37.3443 -3.12668 -21.8568 -28.3859 PRESSAVG: 814400 7.9985 26.872 15.9375 26.8721 -4.23265 43.5914 15.9375 43.5915 -4.1907 GPRESSAVG: 814400 7.97775 27.1578 15.6123 25.8612 -4.90275 40.0544 16.3745 45.9277 -3.83784 TIMING: 814400 CPU: 2426.75, 0.00294183/step Wall: 2426.75, 0.00294183/step, 3.42036 hours remaining, 207.015625 MB of memory in use. ENERGY: 814400 731.1478 2136.5869 1950.1399 129.8159 -205854.1229 17737.6226 0.0000 0.0000 34271.0485 -148897.7613 299.2976 -183168.8098 -148799.6872 300.2596 -23.2070 10.2433 557784.0902 -0.1416 -0.2543 PRESSURE: 814600 31.4642 173.751 -140.439 173.754 28.7231 -105.675 -140.439 -105.676 126.786 GPRESSURE: 814600 37.0833 152.782 -79.1968 152.902 72.1513 -121.295 -218.73 -130.521 180.159 PRESSAVG: 814600 12.5466 36.4607 -0.292976 36.4607 -39.2513 13.1789 -0.29301 13.1789 82.1956 GPRESSAVG: 814600 12.1902 36.3762 1.47783 35.9581 -38.7715 15.0373 -0.627054 12.1842 82.2713 TIMING: 814600 CPU: 2427.33, 0.00292471/step Wall: 2427.33, 0.00292471/step, 3.4003 hours remaining, 207.015625 MB of memory in use. ENERGY: 814600 737.5765 2091.9427 1931.4277 117.6781 -206044.7382 17847.3813 0.0000 0.0000 34375.8476 -148942.8843 300.2128 -183318.7319 -148849.0502 300.0152 62.3244 96.4646 556743.5419 18.4970 18.5633 PRESSURE: 814800 -165.113 -68.1597 -5.2948 -68.1595 13.7192 -18.2635 -5.29501 -18.2626 -263.689 GPRESSURE: 814800 -126.717 -25.3083 -29.8125 -124.326 5.57761 90.4826 31.4064 -8.41874 -185.394 PRESSAVG: 814800 3.98814 -5.79927 23.0393 -5.79939 26.4309 20.6835 23.0393 20.6835 -19.4816 GPRESSAVG: 814800 4.42836 -7.08075 24.0305 -2.22568 26.634 22.3871 21.2942 18.7956 -20.102 TIMING: 814800 CPU: 2427.92, 0.00295038/step Wall: 2427.92, 0.00295038/step, 3.42998 hours remaining, 207.015625 MB of memory in use. ENERGY: 814800 727.2588 2079.1791 1939.8424 108.2171 -205762.7486 17647.4739 0.0000 0.0000 34318.8521 -148941.9252 299.7151 -183260.7773 -148839.6726 300.4020 -138.3611 -102.1780 558633.5026 3.6458 3.6534 PRESSURE: 815000 -110.978 34.7453 99.1874 34.7451 14.5371 124.686 99.1879 124.685 70.2096 GPRESSURE: 815000 -121.598 18.387 76.6056 -26.4285 83.2108 121.107 10.7716 127.233 92.9067 PRESSAVG: 815000 -11.2763 -31.0832 -18.4736 -31.0832 -21.2632 -15.6378 -18.4736 -15.638 8.51341 GPRESSAVG: 815000 -12.4761 -29.3324 -17.0427 -33.9942 -21.1098 -16.3519 -19.1239 -15.143 9.52646 TIMING: 815000 CPU: 2428.52, 0.00296712/step Wall: 2428.52, 0.00296712/step, 3.44927 hours remaining, 207.015625 MB of memory in use. ENERGY: 815000 766.8740 2127.1894 1918.1428 103.6301 -205937.7623 17852.7203 0.0000 0.0000 34337.0315 -148832.1742 299.8738 -183169.2057 -148728.3589 299.6447 -8.7438 18.1731 559261.6989 -8.0087 -8.0198 PRESSURE: 815200 -17.8464 151.406 -131.823 151.404 90.3666 168.923 -131.823 168.925 -299.418 GPRESSURE: 815200 36.7822 129.264 -130.334 254.787 146.223 136.837 -78.224 152.185 -318.109 PRESSAVG: 815200 22.9076 -47.0829 58.6053 -47.0829 33.2091 16.9903 58.6053 16.9902 -77.9477 GPRESSAVG: 815200 24.0255 -48.0441 58.0922 -43.8531 32.6653 17.3479 59.6803 17.6681 -78.4551 TIMING: 815200 CPU: 2429.11, 0.00298426/step Wall: 2429.11, 0.00298426/step, 3.46903 hours remaining, 207.015625 MB of memory in use. ENERGY: 815200 712.1775 2118.0287 1947.5234 113.9056 -205993.0190 17643.8563 0.0000 0.0000 34425.8442 -149031.6834 300.6495 -183457.5276 -148935.1097 300.4743 -75.6327 -45.0345 557667.8337 -7.2770 -7.2547 PRESSURE: 815400 173.402 42.6025 120.296 42.6021 -250.596 63.4426 120.295 63.4413 -67.1468 GPRESSURE: 815400 217.441 81.5449 77.0039 3.29496 -240.724 55.0265 140.21 87.0294 -32.4931 PRESSAVG: 815400 63.2031 26.1905 -13.5834 26.1905 28.0613 -5.21348 -13.5834 -5.21348 -61.6812 GPRESSAVG: 815400 62.9792 26.3653 -14.683 23.7548 28.6624 -5.5169 -11.9898 -4.94887 -61.7434 TIMING: 815400 CPU: 2429.71, 0.0029964/step Wall: 2429.71, 0.0029964/step, 3.48298 hours remaining, 207.015625 MB of memory in use. ENERGY: 815400 787.8482 2076.0944 1953.8680 119.4855 -206370.2194 17888.7601 0.0000 0.0000 34321.3983 -149222.7649 299.7373 -183544.1632 -149130.8086 299.7466 -48.1136 -18.5920 558604.8236 9.8611 9.9661 PRESSURE: 815600 -59.6448 101.9 -69.5822 101.9 -166.797 105.979 -69.5827 105.981 -66.2361 GPRESSURE: 815600 -8.44929 126.481 -38.8251 108.89 -151.723 128.655 -114.619 161.757 -36.957 PRESSAVG: 815600 14.4797 7.74317 -73.6381 7.74313 -20.0586 -0.544174 -73.6381 -0.544238 24.3515 GPRESSAVG: 815600 14.8597 8.40992 -75.4489 7.3301 -18.9964 0.224433 -73.7383 0.489909 23.3984 TIMING: 815600 CPU: 2430.31, 0.00300828/step Wall: 2430.31, 0.00300828/step, 3.49662 hours remaining, 207.015625 MB of memory in use. ENERGY: 815600 751.0852 2071.7416 1959.9466 121.1792 -206451.7203 17834.8474 0.0000 0.0000 34388.9574 -149323.9628 300.3273 -183712.9202 -149222.5688 299.3255 -97.5592 -65.7097 557924.6217 6.2575 6.4206 PRESSURE: 815800 213.573 29.8116 78.1471 29.8101 6.18488 28.1745 78.1484 28.173 -40.7055 GPRESSURE: 815800 267.09 17.0846 120.587 -4.34123 11.3084 126.435 15.6413 -21.5899 -5.40608 PRESSAVG: 815800 -4.48664 -6.43772 6.7798 -6.43784 23.4631 -55.5186 6.77986 -55.5187 4.41587 GPRESSAVG: 815800 -5.28852 -7.25151 9.14118 -4.81127 22.3543 -56.1517 4.25066 -55.3474 5.95007 TIMING: 815800 CPU: 2430.91, 0.00300261/step Wall: 2430.91, 0.00300261/step, 3.48987 hours remaining, 207.015625 MB of memory in use. ENERGY: 815800 778.0558 2104.2595 1940.9642 115.7813 -206349.2426 17906.4883 0.0000 0.0000 33991.4098 -149512.2835 296.8554 -183503.6933 -149420.7733 298.9334 59.6841 90.9973 557385.8835 7.7974 7.6719 PRESSURE: 816000 -153.949 -180.789 12.8547 -180.79 -75.7999 -57.8311 12.8544 -57.8298 -109.407 GPRESSURE: 816000 -137.665 -127.221 5.10022 -186.887 -52.2291 -29.7869 14.5737 -92.3838 -63.7585 PRESSAVG: 816000 37.6213 12.6273 -4.28766 12.6273 1.99774 -22.128 -4.28769 -22.128 22.4368 GPRESSAVG: 816000 36.9857 14.7994 -4.51568 11.1885 2.34608 -22.3524 -1.74662 -22.1052 22.7027 TIMING: 816000 CPU: 2431.51, 0.00298329/step Wall: 2431.51, 0.00298329/step, 3.46725 hours remaining, 207.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 816000 754.8543 2133.0217 1933.9434 104.0454 -206222.2070 17713.0263 0.0000 0.0000 34118.3102 -149465.0057 297.9637 -183583.3159 -149370.9610 298.2262 -113.0521 -84.5509 556896.4637 20.6853 20.6781 PRESSURE: 816200 -279.843 149.34 155.644 149.34 109.826 -130.346 155.644 -130.347 -270.404 GPRESSURE: 816200 -205.031 73.8181 69.9961 152.692 140.092 -151.187 222.429 -102.481 -272.281 PRESSAVG: 816200 -57.1493 15.5689 1.99526 15.5689 72.2879 -0.326341 1.99513 -0.32629 4.65585 GPRESSAVG: 816200 -56.6245 15.3482 0.992875 16.1052 72.3774 -1.34828 1.80974 -2.12535 4.2738 TIMING: 816200 CPU: 2432.11, 0.00299497/step Wall: 2432.11, 0.00299497/step, 3.48065 hours remaining, 207.015625 MB of memory in use. ENERGY: 816200 760.0442 2155.3340 1939.3914 110.0258 -206358.5134 17706.1284 0.0000 0.0000 34204.9534 -149482.6362 298.7204 -183687.5896 -149381.2737 298.9998 -146.8069 -112.4064 557328.4229 6.5981 6.6756 LDB: ============= START OF LOAD BALANCING ============== 2435.66 LDB: ============== END OF LOAD BALANCING =============== 2435.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2435.66 LDB: ============= START OF LOAD BALANCING ============== 2435.96 LDB: Largest compute 4796 load 0.029764 is 25.2% of average load 0.118172 LDB: Average compute 0.001721 is 1.5% of average load 0.118172 LDB: TIME 2435.96 LOAD: AVG 0.118172 MAX 0.207897 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.504 MB LDB: TIME 2435.96 LOAD: AVG 0.118172 MAX 0.207897 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: TIME 2435.96 LOAD: AVG 0.118172 MAX 0.207897 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2435.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2435.97 PRESSURE: 816400 -183.157 22.0267 -109.776 22.0267 -71.3372 -31.2313 -109.775 -31.2303 -193.67 GPRESSURE: 816400 -121.355 21.6319 -121.227 62.683 -66.9374 -72.4602 -160.49 0.784897 -162.745 PRESSAVG: 816400 -30.9617 45.464 -35.1261 45.464 52.5659 -35.3735 -35.1261 -35.3735 -46.2229 GPRESSAVG: 816400 -30.4565 45.858 -34.3011 44.6061 52.8955 -35.6427 -36.3627 -32.4998 -47.2459 TIMING: 816400 CPU: 2432.72, 0.00303099/step Wall: 2432.72, 0.00303099/step, 3.52234 hours remaining, 205.992188 MB of memory in use. ENERGY: 816400 727.5615 2090.3798 1960.4568 104.7221 -206298.3074 17607.3860 0.0000 0.0000 34217.6678 -149590.1335 298.8314 -183807.8013 -149498.4395 298.8854 -149.3880 -117.0125 557272.8290 -8.2062 -8.2690 PRESSURE: 816600 5.29359 -112.563 0.637959 -112.562 -219.534 -201.539 0.638212 -201.539 -154.278 GPRESSURE: 816600 57.7311 -120.855 5.50898 -124.293 -247.107 -155.478 35.0245 -138.919 -84.8355 PRESSAVG: 816600 -49.9383 31.0196 -49.4721 31.0196 40.0251 -65.862 -49.4721 -65.862 -27.9412 GPRESSAVG: 816600 -51.1848 29.1973 -48.7998 33.6953 39.1201 -64.3742 -49.6137 -67.2728 -25.5232 TIMING: 816600 CPU: 2433.32, 0.00301512/step Wall: 2433.32, 0.00301512/step, 3.50374 hours remaining, 205.992188 MB of memory in use. ENERGY: 816600 752.5441 2178.1311 1906.7301 110.6549 -206440.7199 17684.9365 0.0000 0.0000 34229.9545 -149577.7687 298.9387 -183807.7232 -149488.2466 298.1659 -122.8396 -91.4037 555992.1266 -12.6181 -12.5293 PRESSURE: 816800 -67.5732 61.0691 141.041 61.0697 -167.753 -65.8715 141.041 -65.8723 26.3024 GPRESSURE: 816800 -23.2683 68.0548 169.528 24.5571 -141.382 -108.889 113.678 -84.9997 45.9397 PRESSAVG: 816800 26.8202 19.9204 -5.86476 19.9204 -55.7678 -12.3613 -5.86473 -12.3614 16.6007 GPRESSAVG: 816800 27.1017 20.9855 -4.6668 19.2275 -55.1979 -10.2111 -7.54939 -14.7591 15.7414 TIMING: 816800 CPU: 2433.92, 0.00299709/step Wall: 2433.92, 0.00299709/step, 3.48262 hours remaining, 205.992188 MB of memory in use. ENERGY: 816800 730.1392 2116.7217 1923.5228 102.9645 -206297.9086 17608.3520 0.0000 0.0000 34137.0245 -149679.1838 298.1271 -183816.2083 -149571.0641 298.2229 -69.6748 -39.5702 556510.4785 -4.1156 -4.1183 PRESSURE: 817000 -313.87 119.731 72.0154 119.731 -145.013 -10.2613 72.0147 -10.2602 41.5518 GPRESSURE: 817000 -262.763 98.3249 111.334 146.415 -96.9339 -31.1942 71.9196 53.2214 36.1284 PRESSAVG: 817000 30.6115 19.905 59.9933 19.905 -27.4691 16.936 59.9932 16.936 6.36021 GPRESSAVG: 817000 31.0509 18.687 58.1097 19.9352 -28.6131 15.2648 61.32 19.9407 6.67966 TIMING: 817000 CPU: 2434.52, 0.00298797/step Wall: 2434.52, 0.00298797/step, 3.47185 hours remaining, 205.992188 MB of memory in use. ENERGY: 817000 738.4744 2108.3687 1902.1590 105.9930 -206158.4983 17549.6411 0.0000 0.0000 34118.2044 -149635.6578 297.9628 -183753.8622 -149539.2076 297.9727 -139.1105 -107.8560 558179.8764 3.1675 3.0392 PRESSURE: 817200 -283.317 -48.3241 -62.9143 -48.3239 -121.373 131.004 -62.9138 131.003 6.18749 GPRESSURE: 817200 -248.271 -8.22876 -96.7766 -58.0556 -56.3426 114.958 -43.7371 117.46 5.5173 PRESSAVG: 817200 -50.9048 -7.17088 -13.1638 -7.17089 7.4846 -43.452 -13.1639 -43.452 15.4673 GPRESSAVG: 817200 -51.5687 -7.54346 -12.626 -5.34803 8.05946 -45.1779 -12.3329 -42.9325 15.6015 TIMING: 817200 CPU: 2435.11, 0.0029917/step Wall: 2435.11, 0.0029917/step, 3.47602 hours remaining, 205.992188 MB of memory in use. ENERGY: 817200 740.3649 2186.5880 1949.9742 111.1303 -206338.0024 17702.8740 0.0000 0.0000 34176.0763 -149470.9948 298.4682 -183647.0711 -149374.1536 298.2400 -132.8341 -99.6987 558206.4988 -9.3176 -9.3026 PRESSURE: 817400 80.8103 32.5444 34.2019 32.5446 104.712 132.954 34.2021 132.954 122.753 GPRESSURE: 817400 74.5343 -14.1545 64.7229 3.87806 156.515 100.741 21.6167 205.296 168.918 PRESSAVG: 817400 -74.3239 -32.1084 -67.728 -32.1085 -14.9858 41.4163 -67.728 41.4163 49.0226 GPRESSAVG: 817400 -75.0281 -33.0654 -68.0288 -33.5322 -15.8779 42.4142 -68.4028 43.0838 50.0378 TIMING: 817400 CPU: 2435.71, 0.00298074/step Wall: 2435.71, 0.00298075/step, 3.46313 hours remaining, 205.992188 MB of memory in use. ENERGY: 817400 700.2548 2128.5206 1925.9149 106.1770 -206480.2389 17956.5171 0.0000 0.0000 34155.3310 -149507.5235 298.2870 -183662.8545 -149404.5050 298.4628 102.7582 133.3224 556916.1765 -13.4290 -13.6227 PRESSURE: 817600 -342.51 53.3739 14.5589 53.3748 -22.494 -28.3119 14.5585 -28.3125 -15.9553 GPRESSURE: 817600 -333.79 39.2126 -14.3742 91.6392 41.6878 -49.9998 -14.9216 2.61705 21.9915 PRESSAVG: 817600 -63.3441 -26.8603 -18.6365 -26.8604 21.3807 22.4649 -18.6366 22.4648 78.4866 GPRESSAVG: 817600 -63.5712 -25.4938 -19.1932 -26.8389 22.792 22.5623 -18.7402 20.1876 77.4372 TIMING: 817600 CPU: 2436.31, 0.00297487/step Wall: 2436.31, 0.00297487/step, 3.45614 hours remaining, 205.992188 MB of memory in use. ENERGY: 817600 755.6511 2083.8024 1938.9205 103.6034 -206233.8610 17647.3383 0.0000 0.0000 34252.4730 -149452.0723 299.1354 -183704.5453 -149350.7493 298.0769 -126.9865 -90.0369 557304.7659 12.1744 12.2193 PRESSURE: 817800 -19.1728 89.3784 18.7515 89.3789 -130.666 -29.8389 18.7514 -29.8372 250.726 GPRESSURE: 817800 14.2677 89.6201 -116.826 124.455 -95.3139 -66.9342 112.451 -33.9043 278.857 PRESSAVG: 817800 14.4568 4.37557 -3.55418 4.37559 -17.715 -26.5172 -3.55428 -26.5173 10.9786 GPRESSAVG: 817800 14.5459 4.63109 -3.94491 2.91213 -17.0826 -27.4515 -2.82582 -25.4242 10.0469 TIMING: 817800 CPU: 2436.9, 0.00297413/step Wall: 2436.9, 0.00297413/step, 3.45511 hours remaining, 205.992188 MB of memory in use. ENERGY: 817800 744.5329 2104.2713 1964.1511 121.7764 -206552.7745 18005.9857 0.0000 0.0000 34185.6902 -149426.3668 298.5521 -183612.0570 -149328.9900 298.9007 33.6293 65.9371 557968.0636 2.5735 2.5034 PRESSURE: 818000 -76.6729 123.893 93.6765 123.893 21.715 117.086 93.6774 117.086 145.367 GPRESSURE: 818000 -8.64264 110.402 -5.31425 179.798 25.8689 96.9554 83.6929 108.731 159.784 PRESSAVG: 818000 11.5916 -19.4234 -44.3384 -19.4234 -64.1582 6.2107 -44.3384 6.21081 32.3758 GPRESSAVG: 818000 10.9581 -18.491 -44.0808 -19.2983 -64.3957 9.61074 -44.8911 4.77237 32.6103 TIMING: 818000 CPU: 2437.5, 0.00297451/step Wall: 2437.5, 0.00297451/step, 3.45539 hours remaining, 205.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 818000 732.3203 2157.3760 1928.6011 113.2389 -206436.3192 17765.3818 0.0000 0.0000 34405.5212 -149333.8800 300.4720 -183739.4012 -149242.6268 298.7395 30.1363 59.0033 557778.3454 -6.7303 -6.9425 PRESSURE: 818200 52.4836 71.6877 51.0348 71.6873 63.0653 158.633 51.0347 158.631 16.9619 GPRESSURE: 818200 80.1098 28.6123 152.607 62.5022 115.686 167.694 -56.5704 173.245 37.626 PRESSAVG: 818200 -64.2906 13.5653 -80.6731 13.5653 -26.2484 79.8816 -80.6731 79.8816 96.7036 GPRESSAVG: 818200 -63.2633 11.1676 -80.0387 14.2798 -26.7258 75.4925 -80.182 80.7327 96.249 TIMING: 818200 CPU: 2438.09, 0.0029624/step Wall: 2438.09, 0.0029624/step, 3.44116 hours remaining, 205.992188 MB of memory in use. ENERGY: 818200 757.2956 2070.3002 1936.0277 115.2265 -206194.5259 17721.8822 0.0000 0.0000 34442.5930 -149151.2008 300.7957 -183593.7938 -149054.1782 300.0751 44.1703 77.8074 555695.2931 2.0549 2.0866 PRESSURE: 818400 -327.923 19.0976 81.3153 19.0976 -131.717 -40.3226 81.3159 -40.3211 -248.291 GPRESSURE: 818400 -266.595 16.1052 -3.96909 5.69299 -105.213 -76.4684 65.596 96.3627 -240.879 PRESSAVG: 818400 -63.6807 -6.73534 -14.858 -6.73534 24.2297 74.9889 -14.858 74.989 40.1795 GPRESSAVG: 818400 -63.1525 -5.52889 -16.792 -6.7185 23.3204 78.5751 -15.6033 74.3274 40.4325 TIMING: 818400 CPU: 2438.68, 0.00297009/step Wall: 2438.68, 0.00297009/step, 3.44993 hours remaining, 205.992188 MB of memory in use. ENERGY: 818400 748.0568 2141.3056 1937.3740 126.0362 -206322.2361 17648.3084 0.0000 0.0000 34474.0494 -149247.1057 301.0704 -183721.1551 -149146.3891 299.8723 -235.9771 -204.2288 556686.0400 0.2428 0.2001 PRESSURE: 818600 128.649 -129.023 59.7349 -129.023 97.1109 -145.486 59.7346 -145.486 75.7101 GPRESSURE: 818600 120.592 -25.3829 111.261 -125.824 189.251 -292.15 69.8509 -82.6655 84.2703 PRESSAVG: 818600 -51.53 -0.768926 21.4579 -0.7689 51.8982 6.10571 21.4578 6.10567 -8.31676 GPRESSAVG: 818600 -51.3636 -0.829407 25.4931 0.625675 51.5875 5.11112 22.2161 6.3025 -8.23484 TIMING: 818600 CPU: 2439.28, 0.00297598/step Wall: 2439.28, 0.00297598/step, 3.4566 hours remaining, 205.992188 MB of memory in use. ENERGY: 818600 721.5170 2144.7821 1951.3487 112.9401 -206739.2125 18020.4121 0.0000 0.0000 34492.3730 -149295.8393 301.2305 -183788.2123 -149196.5998 299.9992 100.4899 131.3710 555090.9849 -2.6495 -2.6703 PRESSURE: 818800 -76.6983 -177.033 32.0784 -177.032 -170.52 -190.244 32.0788 -190.244 -20.8892 GPRESSURE: 818800 -62.7283 -207.693 119.48 -164.555 -108.747 -129.983 38.7933 -213.683 1.8508 PRESSAVG: 818800 -34.5392 -47.7628 76.7781 -47.7628 8.111 -35.8091 76.7782 -35.8091 19.4375 GPRESSAVG: 818800 -35.2965 -48.4303 73.8908 -47.042 9.36384 -36.9184 75.8355 -33.3912 19.5207 TIMING: 818800 CPU: 2439.87, 0.00298318/step Wall: 2439.87, 0.00298318/step, 3.4648 hours remaining, 205.992188 MB of memory in use. ENERGY: 818800 738.4333 2036.0735 1948.5594 120.1460 -205890.5217 17575.9139 0.0000 0.0000 34102.4560 -149368.9396 297.8252 -183471.3956 -149275.2451 299.1929 -89.3692 -56.5415 557174.5361 -2.3302 -2.1373 PRESSURE: 819000 26.3558 23.8037 74.6253 23.8035 155.226 149.909 74.6257 149.908 65.8455 GPRESSURE: 819000 66.3845 66.7552 85.3674 39.7155 171.657 194.858 12.8428 151.273 107.414 PRESSAVG: 819000 -28.1233 -47.631 -8.56523 -47.6309 -8.8091 -80.89 -8.56514 -80.8901 62.5598 GPRESSAVG: 819000 -27.3949 -47.5 -6.93539 -47.6088 -9.49354 -80.3896 -9.65516 -82.3641 62.6977 TIMING: 819000 CPU: 2440.46, 0.00293279/step Wall: 2440.46, 0.00293279/step, 3.40611 hours remaining, 205.992188 MB of memory in use. ENERGY: 819000 769.8302 2019.2944 1956.4127 100.7098 -206813.8913 18124.8590 0.0000 0.0000 34354.6075 -149488.1777 300.0273 -183842.7852 -149386.4053 298.9214 82.4758 115.1518 556590.9232 8.5425 8.6031 PRESSURE: 819200 10.241 95.5515 -88.2343 95.5523 94.0692 85.2055 -88.2356 85.2055 168.783 GPRESSURE: 819200 57.6116 84.895 -194.92 47.9887 136.518 125.882 15.3837 107.452 179.288 PRESSAVG: 819200 -80.4404 -59.5356 -12.4109 -59.5356 48.4152 -2.15142 -12.4109 -2.15146 24.5411 GPRESSAVG: 819200 -80.6602 -58.0751 -12.2796 -63.0227 48.711 -1.11103 -10.6327 -1.1955 24.2337 TIMING: 819200 CPU: 2441.05, 0.00297132/step Wall: 2441.05, 0.00297132/step, 3.4507 hours remaining, 205.992188 MB of memory in use. ENERGY: 819200 728.0514 2022.5938 1946.9144 104.1733 -206534.3258 17940.0497 0.0000 0.0000 34365.2547 -149427.2883 300.1203 -183792.5431 -149327.0141 299.3868 91.0312 124.4727 555517.7269 -2.4947 -2.5718 PRESSURE: 819400 2.38146 -65.4856 96.4426 -65.4859 -86.6651 98.3403 96.4424 98.3396 95.8324 GPRESSURE: 819400 63.6598 -64.403 134.518 -19.7103 -94.0192 162.087 72.7681 84.8875 126.009 PRESSAVG: 819400 -18.4793 -52.5626 -7.08489 -52.5627 38.9054 1.96593 -7.08486 1.96596 17.6029 GPRESSAVG: 819400 -17.8626 -53.3266 -9.04474 -50.6965 38.4647 -0.171843 -6.36086 1.07078 16.9061 TIMING: 819400 CPU: 2441.65, 0.00297714/step Wall: 2441.65, 0.00297714/step, 3.45729 hours remaining, 205.992188 MB of memory in use. ENERGY: 819400 726.7744 2066.8070 1958.7317 108.1143 -206166.5935 17700.2162 0.0000 0.0000 34134.7448 -149471.2051 298.1072 -183605.9499 -149369.0852 299.2925 3.8496 31.8830 556549.3547 12.6763 12.5027 PRESSURE: 819600 -169.226 -10.6236 17.9914 -10.6234 -285.508 69.7485 17.9909 69.7501 -99.8895 GPRESSURE: 819600 -122.951 -3.36838 -4.1382 -74.0876 -240.015 34.6424 26.9688 63.3593 -101.514 PRESSAVG: 819600 -34.1132 27.9018 50.3101 27.9019 -0.717957 1.78844 50.3101 1.78845 -18.2075 GPRESSAVG: 819600 -35.6638 28.8317 52.1254 25.9094 -0.452452 3.04801 48.0066 2.53326 -17.022 TIMING: 819600 CPU: 2442.25, 0.00297801/step Wall: 2442.25, 0.00297801/step, 3.45814 hours remaining, 205.992188 MB of memory in use. ENERGY: 819600 756.7009 2074.9121 1953.4499 117.1901 -206240.3731 17581.4924 0.0000 0.0000 34253.7111 -149502.9166 299.1462 -183756.6277 -149403.7488 298.9415 -184.8746 -154.8265 556847.4543 -17.6796 -17.7127 PRESSURE: 819800 -203.902 88.9715 -96.1277 88.9704 67.1512 -28.4254 -96.128 -28.4243 -81.0637 GPRESSURE: 819800 -144.361 7.81185 -114.362 143.077 112.324 0.93361 -87.3694 -71.6537 -82.9944 PRESSAVG: 819800 60.7524 -22.6285 -21.6886 -22.6285 -33.4141 -38.1439 -21.6886 -38.1439 -0.480148 GPRESSAVG: 819800 61.1009 -24.9861 -22.5573 -20.3631 -33.5092 -39.1949 -19.6653 -37.4447 -0.531721 TIMING: 819800 CPU: 2442.84, 0.00295577/step Wall: 2442.84, 0.00295577/step, 3.43214 hours remaining, 205.992188 MB of memory in use. ENERGY: 819800 765.0573 2050.4959 1943.1838 115.9029 -206090.3187 17706.4654 0.0000 0.0000 34134.6947 -149374.5187 298.1068 -183509.2134 -149279.7999 298.7124 -72.6047 -38.3440 556144.3796 8.9527 9.0200 PRESSURE: 820000 135.084 7.62447 14.3211 7.62381 -123.512 27.5757 14.3219 27.5751 5.55875 GPRESSURE: 820000 207.555 -29.2296 8.89861 20.9015 -92.6797 20.5592 105.112 -1.51034 7.58415 PRESSAVG: 820000 31.6943 -51.0257 -41.7058 -51.0257 -30.4906 -32.9754 -41.7058 -32.9753 30.7091 GPRESSAVG: 820000 31.8931 -51.269 -41.4757 -52.5567 -30.813 -30.4944 -43.4396 -34.7142 31.191 TIMING: 820000 CPU: 2443.43, 0.0029576/step Wall: 2443.43, 0.0029576/step, 3.4341 hours remaining, 205.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 820000 761.8266 2090.3314 1938.7825 105.0975 -206425.4867 17858.0214 0.0000 0.0000 34153.2934 -149518.1340 298.2692 -183671.4273 -149418.4804 299.2684 5.7103 40.8199 554919.9677 10.6376 10.7570 PRESSURE: 820200 -85.5539 80.9349 -63.9138 80.9351 -260.954 231.537 -63.9131 231.535 -28.7069 GPRESSURE: 820200 -54.4681 34.0108 -44.2703 199.138 -201.274 169.731 -76.7966 181.751 -34.356 PRESSAVG: 820200 46.8967 21.9376 -42.704 21.9377 -25.1704 96.1583 -42.704 96.1584 47.2482 GPRESSAVG: 820200 46.9537 23.7241 -41.7709 23.9555 -24.3584 94.3578 -43.3998 97.964 46.5453 TIMING: 820200 CPU: 2444.02, 0.00296036/step Wall: 2444.02, 0.00296036/step, 3.43715 hours remaining, 205.992188 MB of memory in use. ENERGY: 820200 749.4671 2106.1437 1933.2205 104.0358 -205818.6665 17395.9910 0.0000 0.0000 34314.4507 -149215.3577 299.6766 -183529.8084 -149125.2596 299.0683 -125.0715 -96.6995 556508.1542 22.9915 23.0469 LDB: ============= START OF LOAD BALANCING ============== 2447.57 LDB: ============== END OF LOAD BALANCING =============== 2447.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2447.57 LDB: ============= START OF LOAD BALANCING ============== 2447.87 LDB: Largest compute 4796 load 0.029176 is 24.7% of average load 0.118207 LDB: Average compute 0.001717 is 1.5% of average load 0.118207 LDB: TIME 2447.87 LOAD: AVG 0.118207 MAX 0.207171 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.016 MB LDB: TIME 2447.87 LOAD: AVG 0.118207 MAX 0.207171 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.016 MB LDB: TIME 2447.87 LOAD: AVG 0.118207 MAX 0.207171 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.016 MB LDB: ============== END OF LOAD BALANCING =============== 2447.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2447.88 PRESSURE: 820400 59.6901 35.6514 -140.404 35.6521 -96.5707 -72.7523 -140.404 -72.7516 193.851 GPRESSURE: 820400 24.105 -8.87617 -210.924 95.5911 -10.4579 -77.3374 -183.485 -67.3871 249.632 PRESSAVG: 820400 20.2099 -38.2519 -47.5599 -38.2519 14.3228 15.1752 -47.5599 15.1754 0.770359 GPRESSAVG: 820400 19.0024 -37.356 -50.3509 -40.2775 15.3767 15.064 -44.5427 14.4049 0.693569 TIMING: 820400 CPU: 2444.63, 0.0030419/step Wall: 2444.63, 0.0030419/step, 3.53165 hours remaining, 206.191406 MB of memory in use. ENERGY: 820400 745.9986 2047.8945 1936.5648 114.7561 -206237.1104 17857.0270 0.0000 0.0000 34446.3060 -149088.5634 300.8282 -183534.8694 -148995.4278 299.7959 52.3235 87.7598 555279.6444 11.7677 11.6909 PRESSURE: 820600 -25.1583 135.568 126.065 135.568 -339.08 -120.402 126.066 -120.403 -188.588 GPRESSURE: 820600 40.3349 178.297 117.236 140.533 -314.734 -113.626 89.6351 -100.364 -168.995 PRESSAVG: 820600 -30.6853 8.09272 -43.1386 8.09271 9.03755 -56.9864 -43.1387 -56.9864 -34.8426 GPRESSAVG: 820600 -28.8863 6.8281 -41.8063 7.87872 8.02523 -56.5379 -45.097 -58.5044 -35.6641 TIMING: 820600 CPU: 2445.23, 0.00299766/step Wall: 2445.23, 0.00299766/step, 3.48012 hours remaining, 206.191406 MB of memory in use. ENERGY: 820600 714.1626 2074.5776 1917.9646 116.0837 -205574.3060 17410.3581 0.0000 0.0000 34269.0887 -149072.0707 299.2805 -183341.1594 -148979.8443 299.3539 -184.2756 -147.7981 558692.8604 -18.8301 -18.8417 PRESSURE: 820800 8.44897 154.644 62.2769 154.643 -34.4045 108.707 62.2772 108.707 -64.6967 GPRESSURE: 820800 23.5295 152.601 136.201 156.624 -16.2994 29.0978 -76.832 133.669 -10.4634 PRESSAVG: 820800 50.2594 45.6784 -22.4569 45.6785 -8.64255 -57.3623 -22.4569 -57.3623 -49.4335 GPRESSAVG: 820800 48.4291 46.0079 -21.7195 44.8649 -8.52463 -56.1352 -21.6479 -57.412 -48.3987 TIMING: 820800 CPU: 2445.83, 0.00299727/step Wall: 2445.83, 0.00299728/step, 3.4795 hours remaining, 206.191406 MB of memory in use. ENERGY: 820800 723.3650 2055.7625 1933.5448 113.4733 -206009.7750 17754.0093 0.0000 0.0000 34377.7137 -149051.9064 300.2291 -183429.6202 -148957.5159 299.0663 -30.2174 -1.0778 557448.6662 -2.6056 -2.8314 PRESSURE: 821000 -62.83 161.155 -147.463 161.155 211.59 -15.7357 -147.463 -15.7345 51.7242 GPRESSURE: 821000 -23.0188 116.09 -167.248 39.3601 240.868 -60.3586 -209.306 -48.6629 72.4906 PRESSAVG: 821000 -27.1212 10.9919 -26.1278 10.992 -12.603 -4.66395 -26.1277 -4.66402 8.62816 GPRESSAVG: 821000 -25.8531 8.746 -27.898 13.4467 -12.8491 -4.95956 -25.4122 -5.8452 7.60989 TIMING: 821000 CPU: 2446.42, 0.0029747/step Wall: 2446.42, 0.0029747/step, 3.45313 hours remaining, 206.191406 MB of memory in use. ENERGY: 821000 715.1003 2056.0508 1946.8601 105.0448 -206182.8928 17892.4094 0.0000 0.0000 34321.0763 -149146.3511 299.7345 -183467.4274 -149055.8227 299.6504 66.8281 96.7800 556662.6378 -10.3653 -10.3641 PRESSURE: 821200 196.342 -0.633295 -27.9101 -0.632866 133.616 -11.2125 -27.9102 -11.2121 163.092 GPRESSURE: 821200 237.401 -9.60317 -33.5839 -7.19657 174.726 -54.643 16.0343 88.443 161.64 PRESSAVG: 821200 7.82199 -13.5452 -32.6426 -13.545 -3.64402 -39.0213 -32.6427 -39.0213 76.1795 GPRESSAVG: 821200 8.04569 -11.4562 -31.2766 -14.6312 -3.46786 -38.5822 -34.4259 -37.045 75.6624 TIMING: 821200 CPU: 2447.02, 0.00297679/step Wall: 2447.02, 0.00297679/step, 3.45539 hours remaining, 206.191406 MB of memory in use. ENERGY: 821200 749.7420 2053.9004 1919.4831 119.1657 -206453.0027 18072.3807 0.0000 0.0000 34390.5099 -149147.8209 300.3409 -183538.3308 -149054.7346 299.4649 164.3499 191.2559 556454.1925 26.7858 26.7467 PRESSURE: 821400 205.168 1.93287 0.0548775 1.93351 152.491 68.1528 0.0540483 68.1528 -63.8182 GPRESSURE: 821400 227.773 -45.3911 -53.4543 46.5981 193.406 92.4419 37.909 -32.4243 -36.4528 PRESSAVG: 821400 0.794955 -13.2951 -45.5602 -13.2952 -38.4663 18.7062 -45.5602 18.7062 -12.8808 GPRESSAVG: 821400 -0.194234 -13.8725 -45.2355 -14.2786 -38.1717 17.9576 -46.0649 17.0108 -12.3339 TIMING: 821400 CPU: 2447.61, 0.00296916/step Wall: 2447.61, 0.00296916/step, 3.44637 hours remaining, 206.191406 MB of memory in use. ENERGY: 821400 705.6186 2081.7439 1934.9643 121.6348 -206132.8490 17806.9642 0.0000 0.0000 34366.3679 -149115.5552 300.1300 -183481.9231 -149017.6128 299.5600 97.9468 128.2421 558514.5984 -16.8507 -16.9000 PRESSURE: 821600 14.2648 -145.716 -227.834 -145.716 -116.55 267.423 -227.834 267.423 30.1368 GPRESSURE: 821600 45.8109 -182.906 -148.471 -73.9571 -83.9505 241.42 -236.943 249.767 70.4579 PRESSAVG: 821600 69.6212 37.3397 18.3072 37.3398 -28.7229 31.4693 18.3072 31.4693 -6.72816 GPRESSAVG: 821600 70.0641 37.953 16.943 37.3332 -28.962 30.0008 18.2394 33.5148 -7.05926 TIMING: 821600 CPU: 2448.21, 0.00298384/step Wall: 2448.21, 0.00298384/step, 3.46324 hours remaining, 206.191406 MB of memory in use. ENERGY: 821600 727.0422 2051.7644 1951.0302 106.3444 -206053.3647 17748.8646 0.0000 0.0000 34242.4832 -149225.8356 299.0481 -183468.3188 -149134.6785 299.4045 -24.0495 10.7728 556974.3938 11.3900 11.3476 PRESSURE: 821800 337.511 -23.8865 -253.061 -23.8874 -204.305 214.303 -253.062 214.301 34.9047 GPRESSURE: 821800 336.816 -24.5217 -199.839 -4.18754 -158.632 215.493 -241.641 292.76 67.3048 PRESSAVG: 821800 31.6022 -13.8051 11.3675 -13.805 -22.9488 25.3953 11.3676 25.3954 -18.5338 GPRESSAVG: 821800 31.1355 -14.4915 11.3346 -12.0072 -23.5433 24.9629 12.3557 24.9264 -17.8864 TIMING: 821800 CPU: 2448.81, 0.00300418/step Wall: 2448.81, 0.00300418/step, 3.48668 hours remaining, 206.191406 MB of memory in use. ENERGY: 821800 741.5973 2055.8748 1939.6262 104.5628 -206343.5590 17867.6852 0.0000 0.0000 34355.4028 -149278.8099 300.0343 -183634.2126 -149182.9116 299.3145 56.0368 81.8294 556187.6870 -3.2935 -3.4314 PRESSURE: 822000 -48.3993 64.7293 -56.8708 64.7284 -195.622 75.4964 -56.8713 75.4948 133.722 GPRESSURE: 822000 -9.01641 33.9733 -94.9202 105.407 -119.11 111.665 -7.11172 63.7864 110.271 PRESSAVG: 822000 10.6183 27.9302 -73.6105 27.9302 25.0947 36.8753 -73.6104 36.8754 -27.319 GPRESSAVG: 822000 10.8937 29.011 -72.0289 27.0094 25.0163 37.7281 -72.8844 36.8843 -28.2567 TIMING: 822000 CPU: 2449.4, 0.00296312/step Wall: 2449.4, 0.00296312/step, 3.43887 hours remaining, 206.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 822000 730.0954 2086.8034 1935.4925 116.1001 -206090.2541 17736.5689 0.0000 0.0000 34359.1796 -149126.0143 300.0673 -183485.1938 -149031.3944 299.4202 -36.7663 -5.9518 556773.7980 2.7980 2.5511 PRESSURE: 822200 -8.92285 49.8358 -153.491 49.8381 -97.7107 121.967 -153.49 121.967 -80.7801 GPRESSURE: 822200 -1.51311 82.9343 -215.018 12.6113 -32.0195 181.794 -89.5868 114.23 -58.4379 PRESSAVG: 822200 14.9669 49.0122 47.1298 49.0122 -69.721 68.7197 47.1298 68.7197 16.6754 GPRESSAVG: 822200 14.001 47.2421 47.0209 48.9519 -68.6976 68.5701 46.2246 69.1629 16.5838 TIMING: 822200 CPU: 2450, 0.00296475/step Wall: 2450, 0.00296475/step, 3.44059 hours remaining, 206.191406 MB of memory in use. ENERGY: 822200 730.6814 2034.3329 1965.3830 107.6295 -205764.4730 17656.6315 0.0000 0.0000 34167.1395 -149102.6754 298.3901 -183269.8149 -149005.8699 299.4848 -62.4712 -30.6569 558642.6552 -12.6929 -12.7043 PRESSURE: 822400 65.3084 206.653 23.2896 206.654 -142.649 61.5505 23.29 61.5512 -1.0797 GPRESSURE: 822400 122.355 172.588 -32.9986 134.292 -137.973 60.7997 45.7754 -21.8966 37.432 PRESSAVG: 822400 -31.1653 61.1223 9.24427 61.1223 -1.7851 65.9144 9.24423 65.9144 -5.95733 GPRESSAVG: 822400 -28.8813 64.165 10.4303 60.7788 -3.14873 66.097 9.10572 67.2123 -6.56532 TIMING: 822400 CPU: 2450.58, 0.00294324/step Wall: 2450.58, 0.00294324/step, 3.41547 hours remaining, 206.191406 MB of memory in use. ENERGY: 822400 764.1051 2022.4606 1912.0420 116.0970 -205765.3796 17803.6651 0.0000 0.0000 34116.7937 -149030.2161 297.9504 -183147.0098 -148932.4971 299.0022 -26.1402 7.2714 559274.8170 -12.9693 -12.8651 PRESSURE: 822600 -229.045 92.1934 -147.2 92.1937 -54.9374 -63.687 -147.201 -63.6851 52.1702 GPRESSURE: 822600 -231.224 150.458 -252.809 3.7315 21.0759 -100.221 -67.1093 45.6874 71.48 PRESSAVG: 822600 -18.2412 16.4319 -7.81016 16.4319 -15.1702 20.7916 -7.81008 20.7916 26.2983 GPRESSAVG: 822600 -19.386 15.3889 -9.06961 17.3739 -15.3709 20.5475 -7.70815 20.0385 27.5738 TIMING: 822600 CPU: 2451.18, 0.00295749/step Wall: 2451.18, 0.00295749/step, 3.43184 hours remaining, 206.191406 MB of memory in use. ENERGY: 822600 760.7638 2037.9885 1939.3252 101.9066 -205565.5896 17594.5316 0.0000 0.0000 33909.1805 -149221.8933 296.1373 -183131.0738 -149114.1591 299.6559 -77.2708 -46.2228 558202.8858 -2.3710 -2.3943 PRESSURE: 822800 39.0945 -133.373 139.622 -133.372 107.381 -40.0421 139.624 -40.0419 144.872 GPRESSURE: 822800 54.0228 -155.4 74.9258 -88.5911 196.419 -58.9149 99.293 -42.4482 140.823 PRESSAVG: 822800 -19.1586 -21.5456 -54.4282 -21.5456 -23.3687 0.466358 -54.428 0.466336 55.4885 GPRESSAVG: 822800 -18.9229 -21.5034 -55.2389 -21.4436 -22.7686 1.40204 -54.3468 1.25057 54.3074 TIMING: 822800 CPU: 2451.76, 0.00293764/step Wall: 2451.76, 0.00293764/step, 3.40864 hours remaining, 206.191406 MB of memory in use. ENERGY: 822800 749.8602 2103.0395 1933.8314 107.9563 -206176.6435 17841.9198 0.0000 0.0000 34244.0358 -149196.0005 299.0617 -183440.0363 -149106.8933 299.7425 97.1158 130.4216 557854.6276 4.3204 4.2053 PRESSURE: 823000 118.928 166.652 47.0083 166.651 16.9118 -72.1637 47.0087 -72.1645 8.94818 GPRESSURE: 823000 239.009 135.198 105.1 229.683 20.4395 -71.5641 -12.5624 -130.483 -15.3031 PRESSAVG: 823000 31.6531 33.5412 -47.243 33.5412 44.2776 18.8907 -47.243 18.8905 -69.1007 GPRESSAVG: 823000 31.675 33.5694 -46.7159 32.5598 44.9805 18.4733 -46.6419 18.5201 -70.2436 TIMING: 823000 CPU: 2452.35, 0.00293891/step Wall: 2452.35, 0.00293891/step, 3.40995 hours remaining, 206.191406 MB of memory in use. ENERGY: 823000 726.8774 2041.3988 1912.6084 98.1977 -206151.0477 17921.0719 0.0000 0.0000 34275.3939 -149175.4995 299.3355 -183450.8934 -149077.9917 299.4562 48.2625 81.3819 557760.5586 2.2767 2.1373 PRESSURE: 823200 -83.9395 99.5593 -95.1655 99.5589 138.928 -156.705 -95.1654 -156.706 -100.071 GPRESSURE: 823200 -17.0699 51.9391 -86.3632 76.3507 141.733 -234.486 -109.616 -125.04 -65.3986 PRESSAVG: 823200 19.4068 43.2534 9.40507 43.2533 -17.4798 20.7535 9.40495 20.7534 -14.9933 GPRESSAVG: 823200 19.6147 43.8606 8.46448 44.5718 -18.8222 21.3626 10.2594 21.587 -13.6668 TIMING: 823200 CPU: 2452.94, 0.00293423/step Wall: 2452.94, 0.00293423/step, 3.40436 hours remaining, 206.191406 MB of memory in use. ENERGY: 823200 720.0996 2022.5049 1921.1904 108.6978 -206446.1257 17863.3735 0.0000 0.0000 34396.7656 -149413.4940 300.3955 -183810.2597 -149315.5124 299.3850 -15.0276 19.7548 556445.8348 -4.3554 -4.2914 PRESSURE: 823400 -84.0101 -101.535 27.3686 -101.536 129.702 102.019 27.3696 102.018 161.093 GPRESSURE: 823400 -37.9347 -38.9488 83.6015 -159.096 152.149 57.2041 1.81635 160.376 182.39 PRESSAVG: 823400 -7.35347 12.7116 -3.07377 12.7116 -25.3171 20.1967 -3.0738 20.1966 27.7199 GPRESSAVG: 823400 -6.63533 12.8065 -1.13883 12.4651 -25.0782 21.0165 -6.93025 16.1684 26.9077 TIMING: 823400 CPU: 2453.53, 0.00296315/step Wall: 2453.53, 0.00296315/step, 3.43775 hours remaining, 206.191406 MB of memory in use. ENERGY: 823400 760.6451 2089.2776 1946.4823 102.3566 -206098.7005 17710.3200 0.0000 0.0000 34171.7640 -149317.8551 298.4305 -183489.6190 -149232.3268 298.6474 68.9282 98.8682 555749.6003 -1.6502 -1.6019 PRESSURE: 823600 37.4942 -61.6596 150.913 -61.6594 -61.3052 116.844 150.913 116.845 207.203 GPRESSURE: 823600 83.4884 61.7291 144.119 -30.878 -21.8762 43.415 213.454 176.645 227.323 PRESSAVG: 823600 -11.2839 40.7693 66.8017 40.7693 -1.44076 7.60304 66.8018 7.60311 35.7912 GPRESSAVG: 823600 -12.5595 40.7252 64.8721 40.6596 -0.335742 6.08339 69.4122 10.9391 36.187 TIMING: 823600 CPU: 2454.13, 0.0029759/step Wall: 2454.13, 0.0029759/step, 3.45238 hours remaining, 206.191406 MB of memory in use. ENERGY: 823600 714.8487 2069.1593 1940.6280 114.5844 -206211.6663 17626.3970 0.0000 0.0000 34356.6294 -149389.4195 300.0450 -183746.0488 -149296.5098 299.4829 61.1305 96.3117 556094.3675 7.6888 7.7639 PRESSURE: 823800 238.672 -156.176 218.29 -156.176 -40.9907 -53.8659 218.289 -53.8659 216.727 GPRESSURE: 823800 204.598 -112.322 118.239 -198.843 22.9112 -120.422 195.603 -9.58534 285.882 PRESSAVG: 823800 31.4805 18.815 32.9511 18.815 18.0415 14.0024 32.9511 14.0025 -59.1194 GPRESSAVG: 823800 31.7745 20.1938 32.0009 18.1084 17.2339 12.9945 35.0199 14.0577 -58.2474 TIMING: 823800 CPU: 2454.72, 0.00296198/step Wall: 2454.72, 0.00296198/step, 3.43606 hours remaining, 206.191406 MB of memory in use. ENERGY: 823800 695.5618 2100.2887 1955.8705 113.6878 -206790.1426 18089.0370 0.0000 0.0000 34311.9742 -149523.7226 299.6550 -183835.6968 -149429.2561 298.7480 138.1362 171.1303 555849.1015 -3.1991 -3.0797 PRESSURE: 824000 -155.174 89.5243 -126.041 89.5222 -359.302 -77.1826 -126.042 -77.1829 18.6788 GPRESSURE: 824000 -100.653 84.8238 -63.9723 95.4618 -329.597 -19.2038 -214.619 -109.585 25.8887 PRESSAVG: 824000 24.0994 20.31 12.24 20.3099 -39.6959 -4.98656 12.24 -4.9866 34.4902 GPRESSAVG: 824000 24.1246 19.195 13.4504 19.8018 -38.7449 -2.70023 8.06869 -6.97114 33.3328 TIMING: 824000 CPU: 2455.31, 0.00295014/step Wall: 2455.31, 0.00295014/step, 3.42216 hours remaining, 206.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 824000 730.9801 2117.7087 1931.4110 117.3788 -206175.5492 17557.8462 0.0000 0.0000 34129.1519 -149591.0725 298.0584 -183720.2245 -149494.4864 299.2245 -165.2655 -134.7871 556585.9961 6.2979 6.2375 PRESSURE: 824200 -93.49 -149.782 -21.9782 -149.782 130.179 -25.1239 -21.9786 -25.1227 -96.3867 GPRESSURE: 824200 -95.5714 -153.805 -60.8546 -152.36 107.088 -74.5287 -83.7413 5.13753 14.2636 PRESSAVG: 824200 -14.5639 25.4569 -19.0131 25.457 -3.26321 58.2686 -19.013 58.2685 34.7256 GPRESSAVG: 824200 -13.5023 22.053 -18.9481 27.4804 -5.11776 57.944 -17.7765 56.9396 35.2713 TIMING: 824200 CPU: 2455.9, 0.00294256/step Wall: 2455.9, 0.00294256/step, 3.41321 hours remaining, 206.191406 MB of memory in use. ENERGY: 824200 731.9090 2035.3193 1931.1251 105.4148 -206400.3404 17761.8278 0.0000 0.0000 34113.1080 -149721.6363 297.9183 -183834.7444 -149623.5269 298.3960 -19.8992 8.5935 556085.5226 5.6328 5.5504 LDB: ============= START OF LOAD BALANCING ============== 2459.44 LDB: ============== END OF LOAD BALANCING =============== 2459.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2459.45 LDB: ============= START OF LOAD BALANCING ============== 2459.74 LDB: Largest compute 4796 load 0.029890 is 25.3% of average load 0.118099 LDB: Average compute 0.001722 is 1.5% of average load 0.118099 LDB: TIME 2459.75 LOAD: AVG 0.118099 MAX 0.205868 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.984 MB LDB: TIME 2459.75 LOAD: AVG 0.118099 MAX 0.205868 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.188 MB LDB: TIME 2459.75 LOAD: AVG 0.118099 MAX 0.205868 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2459.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2459.75 PRESSURE: 824400 -233.208 -149.401 90.2874 -149.401 138.203 39.8776 90.2874 39.8782 13.6592 GPRESSURE: 824400 -153.681 -120.402 60.1786 -133.307 160.994 56.8102 74.9297 -51.1712 4.32118 PRESSAVG: 824400 -9.6954 -5.81643 44.8326 -5.81639 15.6495 10.3968 44.8327 10.3967 31.5689 GPRESSAVG: 824400 -10.3803 -4.05047 43.4116 -6.41346 16.0082 9.89173 44.8745 12.4132 31.9509 TIMING: 824400 CPU: 2456.5, 0.00303646/step Wall: 2456.5, 0.00303646/step, 3.52195 hours remaining, 206.191406 MB of memory in use. ENERGY: 824400 731.5576 2014.5867 1925.9239 114.3691 -206256.7883 17813.6490 0.0000 0.0000 34031.7360 -149624.9659 297.2076 -183656.7019 -149531.1616 297.8569 -27.1155 3.8779 556630.0743 12.5077 12.5263 PRESSURE: 824600 -132.335 16.992 139.148 16.9924 -62.3718 90.7473 139.15 90.7477 -104.754 GPRESSURE: 824600 -134.782 54.8419 22.472 5.34283 -15.8044 46.2007 216.263 81.2331 -46.4848 PRESSAVG: 824600 -26.7072 13.6669 19.2905 13.667 11.7324 -2.56767 19.2906 -2.56769 18.7559 GPRESSAVG: 824600 -26.5746 13.5325 19.8402 14.0982 12.5164 -1.95587 21.256 -4.29334 17.5612 TIMING: 824600 CPU: 2457.1, 0.00297207/step Wall: 2457.1, 0.00297207/step, 3.44711 hours remaining, 206.191406 MB of memory in use. ENERGY: 824600 749.2636 2068.1868 1920.7661 108.9119 -206130.1026 17685.6293 0.0000 0.0000 33948.0101 -149649.3349 296.4764 -183597.3450 -149550.4162 297.9573 -99.8202 -65.6903 557329.3541 1.2604 1.1676 PRESSURE: 824800 -194.299 -77.3891 112.3 -77.3878 -220.762 -85.6104 112.3 -85.6087 -162.988 GPRESSURE: 824800 -190.986 17.9191 66.8451 -91.9022 -143.457 -117.833 102.44 -82.087 -141.54 PRESSAVG: 824800 -33.4133 29.7414 -9.88376 29.7414 72.098 -40.4099 -9.88375 -40.41 9.16256 GPRESSAVG: 824800 -33.6818 29.6348 -9.10923 30.8665 71.6286 -40.9897 -10.9285 -38.4317 9.73107 TIMING: 824800 CPU: 2457.69, 0.00297205/step Wall: 2457.69, 0.00297205/step, 3.44692 hours remaining, 206.191406 MB of memory in use. ENERGY: 824800 719.5133 2044.8585 1957.3480 106.7846 -206246.6042 17505.4946 0.0000 0.0000 34240.8659 -149671.7393 299.0340 -183912.6052 -149568.5529 297.6730 -192.6829 -158.6610 555335.4638 15.9491 15.8926 PRESSURE: 825000 -23.5047 10.91 120.821 10.9112 -69.5394 56.8085 120.82 56.8062 -141.431 GPRESSURE: 825000 -6.30256 -17.2478 94.5758 -17.3163 -56.2293 133.184 104.452 68.5052 -70.0195 PRESSAVG: 825000 7.72017 11.8649 43.9372 11.8649 -2.39578 -8.79244 43.9372 -8.79241 -14.105 GPRESSAVG: 825000 7.21566 13.6521 45.1004 11.5987 -2.1232 -8.72717 43.4454 -9.59528 -13.7065 TIMING: 825000 CPU: 2458.29, 0.00300211/step Wall: 2458.29, 0.00300211/step, 3.48162 hours remaining, 206.191406 MB of memory in use. ENERGY: 825000 728.1139 2047.6194 1949.8748 109.5695 -206519.5615 17756.0427 0.0000 0.0000 34344.1817 -149584.1596 299.9363 -183928.3413 -149489.4639 297.7421 -78.1585 -44.1838 557002.9293 -2.9269 -2.8713 PRESSURE: 825200 -117.321 41.5705 -30.8165 41.57 145.151 -129.413 -30.8164 -129.413 -123.871 GPRESSURE: 825200 -72.3465 5.7646 -25.4384 83.6061 158.765 -180.507 36.6085 -53.1926 -88.6113 PRESSAVG: 825200 -15.5683 44.2434 -12.8685 44.2434 17.2979 16.8749 -12.8686 16.8749 27.5038 GPRESSAVG: 825200 -14.3346 40.7516 -12.9876 43.6096 18.4753 17.9871 -13.4498 16.8467 25.3991 TIMING: 825200 CPU: 2458.89, 0.00298876/step Wall: 2458.89, 0.00298876/step, 3.46596 hours remaining, 206.191406 MB of memory in use. ENERGY: 825200 749.6418 2034.0652 1951.9131 110.3030 -206680.3091 17974.7049 0.0000 0.0000 34365.5138 -149494.1671 300.1226 -183859.6809 -149394.1810 298.6898 -32.0137 -0.7310 557009.8117 9.7444 9.8466 PRESSURE: 825400 1.26043 -12.9005 -21.7665 -12.9 20.5875 -98.3518 -21.7672 -98.3529 149.314 GPRESSURE: 825400 41.3664 -25.6226 -106.111 -3.40565 18.9502 -141.732 31.3187 -7.94898 194.552 PRESSAVG: 825400 -8.69164 15.0259 67.0964 15.026 -30.5889 -13.0803 67.0965 -13.0803 27.0887 GPRESSAVG: 825400 -9.52085 15.1624 65.8436 14.764 -32.2839 -15.5328 68.2668 -10.9611 28.5751 TIMING: 825400 CPU: 2459.49, 0.00298889/step Wall: 2459.49, 0.00298889/step, 3.46595 hours remaining, 206.191406 MB of memory in use. ENERGY: 825400 722.7766 2107.9512 1928.4321 131.9030 -206338.9366 17863.3338 0.0000 0.0000 34219.5944 -149364.9455 298.8482 -183584.5399 -149271.7221 298.7654 57.0539 84.9561 557033.5979 -4.0639 -4.4099 PRESSURE: 825600 282.668 18.2434 90.005 18.2443 -157.527 65.5419 90.0047 65.5428 48.4856 GPRESSURE: 825600 277.923 27.0951 31.3413 -7.38989 -164.325 78.2387 163.548 135.11 145.084 PRESSAVG: 825600 41.4455 40.9252 52.3514 40.9252 -53.6549 -31.9001 52.3514 -31.9001 -5.20214 GPRESSAVG: 825600 42.2718 43.6418 53.1856 39.3524 -53.6967 -30.1948 51.0832 -33.2324 -5.96522 TIMING: 825600 CPU: 2460.09, 0.00298271/step Wall: 2460.09, 0.00298271/step, 3.45862 hours remaining, 206.191406 MB of memory in use. ENERGY: 825600 720.7583 2086.0251 1947.4325 112.4481 -206218.1912 17781.1909 0.0000 0.0000 34274.0406 -149296.2957 299.3237 -183570.3363 -149205.4610 299.4976 57.8758 86.2274 556482.9362 -5.8039 -5.7967 PRESSURE: 825800 -268.493 137.784 62.6872 137.783 -250.231 -139.427 62.6877 -139.428 -194.187 GPRESSURE: 825800 -232.136 53.4455 -21.1108 167.698 -211.192 -76.5866 108.693 -143.213 -169.76 PRESSAVG: 825800 72.9162 -6.25035 50.8642 -6.25034 -35.4197 -11.3494 50.8641 -11.3495 -28.0691 GPRESSAVG: 825800 72.128 -8.05935 50.8747 -4.17744 -34.2704 -12.2409 49.7182 -10.2471 -28.3562 TIMING: 825800 CPU: 2460.69, 0.00300926/step Wall: 2460.69, 0.00300926/step, 3.48924 hours remaining, 206.191406 MB of memory in use. ENERGY: 825800 771.2772 2101.7673 1940.5168 106.4253 -205792.1151 17395.4612 0.0000 0.0000 34210.5111 -149266.1561 298.7689 -183476.6672 -149169.1318 299.6894 -237.6368 -204.3624 557268.4971 3.1424 3.1671 PRESSURE: 826000 -76.3716 69.3966 1.88907 69.3973 -306.097 -111.618 1.88898 -111.618 87.1628 GPRESSURE: 826000 -36.9058 28.4105 17.3384 40.7903 -276.5 -158.944 -22.1935 -48.7853 120.28 PRESSAVG: 826000 51.5445 14.4458 25.623 14.4459 -45.2264 -14.2459 25.623 -14.2459 -8.83023 GPRESSAVG: 826000 52.4504 14.4409 26.3552 14.5015 -44.719 -13.4924 25.6556 -15.928 -10.1244 TIMING: 826000 CPU: 2461.28, 0.00297182/step Wall: 2461.28, 0.00297182/step, 3.44566 hours remaining, 206.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 826000 798.1871 2101.2616 1928.4087 105.3311 -205837.0877 17638.2559 0.0000 0.0000 34234.3267 -149031.3167 298.9769 -183265.6434 -148940.5772 299.3253 -98.4351 -64.3751 558575.2371 -0.8374 -0.7976 PRESSURE: 826200 -109.95 -142.135 65.7675 -142.137 -161.937 -84.6978 65.7683 -84.6972 44.319 GPRESSURE: 826200 -62.9368 -234.547 48.717 -50.8519 -120.269 -61.551 0.475914 -133.808 51.8376 PRESSAVG: 826200 -7.57565 37.2548 37.9398 37.2547 2.44273 -33.5138 37.9398 -33.5137 -15.3517 GPRESSAVG: 826200 -9.51553 38.945 35.6356 35.9721 2.18342 -34.5323 40.0409 -32.015 -13.1189 TIMING: 826200 CPU: 2461.88, 0.00297882/step Wall: 2461.88, 0.00297882/step, 3.45361 hours remaining, 206.191406 MB of memory in use. ENERGY: 826200 745.4208 2113.3846 1927.1252 122.1781 -205966.6968 17833.5458 0.0000 0.0000 34170.4379 -149054.6043 298.4189 -183225.0422 -148957.0582 299.5624 -75.8560 -43.7894 558257.2180 -6.8282 -6.8170 PRESSURE: 826400 -293.187 157.816 -194.941 157.816 -126.587 16.0823 -194.941 16.0825 -297.05 GPRESSURE: 826400 -239.152 122.83 -155.447 231.843 -147.573 125.614 -190.199 -34.6607 -234.963 PRESSAVG: 826400 4.95632 56.4512 3.96278 56.4512 -18.5949 1.13588 3.96275 1.13592 5.49414 GPRESSAVG: 826400 6.05557 55.4433 5.87051 58.0217 -19.4965 4.01597 1.56577 -0.86014 4.99717 TIMING: 826400 CPU: 2462.47, 0.00298701/step Wall: 2462.47, 0.00298701/step, 3.46294 hours remaining, 206.191406 MB of memory in use. ENERGY: 826400 776.7075 2159.8619 1910.4747 108.7958 -205625.0805 17406.7710 0.0000 0.0000 34354.4881 -148907.9816 300.0263 -183262.4697 -148821.4050 299.7728 -238.9413 -207.2292 559746.7654 -2.7148 -2.8146 PRESSURE: 826600 -204.66 -34.0783 -12.4339 -34.0794 323.211 -44.2705 -12.4338 -44.2694 251.709 GPRESSURE: 826600 -185.911 14.509 140.517 -26.2336 381.289 -21.389 -75.4986 -108.52 246.406 PRESSAVG: 826600 -36.6918 15.2626 -13.4558 15.2626 12.16 50.0558 -13.4558 50.0558 23.1906 GPRESSAVG: 826600 -36.889 14.2209 -15.7735 15.4751 12.4837 47.4601 -9.75707 51.5365 22.9529 TIMING: 826600 CPU: 2463.06, 0.00295088/step Wall: 2463.06, 0.00295088/step, 3.42089 hours remaining, 206.191406 MB of memory in use. ENERGY: 826600 764.0043 2123.9051 1937.9223 112.3681 -205975.3504 17895.2887 0.0000 0.0000 34305.5934 -148836.2684 299.5993 -183141.8619 -148737.5573 299.8420 123.4201 147.2616 558037.4613 -0.4471 -0.4841 PRESSURE: 826800 -78.3748 12.8306 173.382 12.8326 -95.8482 -94.2796 173.382 -94.2793 -90.4034 GPRESSURE: 826800 -1.32982 -22.7723 232.021 -40.3112 -78.9023 -90.9132 157.677 -142.033 -74.4766 PRESSAVG: 826800 8.70256 8.81154 -13.7778 8.81169 -1.68194 -83.6817 -13.7778 -83.6817 12.3547 GPRESSAVG: 826800 8.05626 11.8012 -11.666 7.40073 -2.32977 -83.7158 -14.9675 -85.0009 13.6536 TIMING: 826800 CPU: 2463.65, 0.00293497/step Wall: 2463.65, 0.00293497/step, 3.40229 hours remaining, 206.191406 MB of memory in use. ENERGY: 826800 778.7493 2082.3617 1944.5126 108.2899 -206087.1609 17798.8998 0.0000 0.0000 34425.9585 -148948.3890 300.6505 -183374.3475 -148851.5837 300.1138 -88.2088 -51.5696 558288.1069 6.4585 6.4600 PRESSURE: 827000 -261.29 150.916 21.3841 150.914 -17.4937 26.4648 21.3849 26.4648 77.3097 GPRESSURE: 827000 -255.019 140.247 53.781 171.815 41.9732 -14.408 45.359 -12.6769 108.506 PRESSAVG: 827000 -20.4703 17.7566 -6.98295 17.7566 4.31707 8.51945 -6.98288 8.51941 23.2481 GPRESSAVG: 827000 -18.814 14.8926 -8.12864 18.0154 3.88739 8.8676 -5.72531 9.02949 21.8004 TIMING: 827000 CPU: 2464.24, 0.00295551/step Wall: 2464.24, 0.00295551/step, 3.42593 hours remaining, 206.191406 MB of memory in use. ENERGY: 827000 739.0833 2126.0205 1925.4546 92.3290 -205973.8108 17505.3187 0.0000 0.0000 34487.9246 -149097.6800 301.1916 -183585.6047 -148994.9621 299.9116 -67.1579 -34.8467 557438.5893 2.3650 2.2913 PRESSURE: 827200 103.59 28.319 62.6753 28.3187 113.612 90.6569 62.6737 90.6561 -84.937 GPRESSURE: 827200 124.113 -9.36886 103.842 5.43503 121.837 74.6926 19.1737 16.5704 -16.6382 PRESSAVG: 827200 -41.8342 7.2538 34.4303 7.25361 -13.5567 13.1956 34.4303 13.1956 51.2414 GPRESSAVG: 827200 -42.6013 6.05509 33.6954 9.124 -12.6982 12.3553 33.1271 12.5854 51.1594 TIMING: 827200 CPU: 2464.83, 0.00294985/step Wall: 2464.83, 0.00294985/step, 3.41921 hours remaining, 206.191406 MB of memory in use. ENERGY: 827200 741.4273 2047.8317 1920.3070 118.3143 -206060.9744 17781.3107 0.0000 0.0000 34479.3965 -148972.3869 301.1171 -183451.7834 -148867.6715 299.6083 44.0883 76.4372 557682.8483 -1.3832 -1.3800 PRESSURE: 827400 -308.554 124.864 24.1116 124.864 -123.852 -36.1644 24.1111 -36.1648 -111.388 GPRESSURE: 827400 -297.325 139.611 -13.6251 210.989 -94.065 -63.0241 35.8844 64.2085 -48.2157 PRESSAVG: 827400 -12.1903 16.8224 -10.0107 16.8225 28.7214 -33.5428 -10.0106 -33.5428 -1.30702 GPRESSAVG: 827400 -11.6327 20.0785 -7.84567 13.2664 28.4404 -30.9068 -12.4905 -33.3011 -1.14817 TIMING: 827400 CPU: 2465.42, 0.00295903/step Wall: 2465.42, 0.00295903/step, 3.42968 hours remaining, 206.191406 MB of memory in use. ENERGY: 827400 753.3725 2085.7506 1923.5267 102.1254 -205811.0916 17492.9040 0.0000 0.0000 34327.7929 -149125.6196 299.7932 -183453.4125 -149028.7085 299.4373 -181.2644 -146.5351 556260.7121 5.0747 5.2199 PRESSURE: 827600 -191.132 26.9405 -127.589 26.9391 89.4644 107.307 -127.59 107.306 130.752 GPRESSURE: 827600 -186.991 71.7504 -79.1218 -86.9916 98.6255 110.218 -176.452 92.8847 213.03 PRESSAVG: 827600 -49.4456 48.7758 -32.2412 48.7758 7.08377 40.4116 -32.2412 40.4116 29.827 GPRESSAVG: 827600 -49.1277 48.1112 -32.702 51.3929 6.85708 39.9004 -31.0879 38.3739 30.3837 TIMING: 827600 CPU: 2466.01, 0.00294578/step Wall: 2466.01, 0.00294578/step, 3.41415 hours remaining, 206.191406 MB of memory in use. ENERGY: 827600 747.8655 2139.7971 1940.0502 116.0733 -205856.2604 17590.4961 0.0000 0.0000 34223.4346 -149098.5436 298.8818 -183321.9782 -149005.6355 299.5606 9.6945 41.5551 554457.5077 -4.1783 -3.9623 PRESSURE: 827800 284.928 147.731 151.028 147.731 -50.7577 171.813 151.027 171.814 155.567 GPRESSURE: 827800 302.626 199.346 235.533 118.822 -3.63354 119.737 117.076 129.306 196.523 PRESSAVG: 827800 8.3631 27.7949 -51.3873 27.7949 31.8053 34.7574 -51.3873 34.7574 -83.3428 GPRESSAVG: 827800 7.55367 26.8069 -53.0199 27.3966 33.2534 32.341 -52.1912 37.1682 -83.4256 TIMING: 827800 CPU: 2466.6, 0.00295639/step Wall: 2466.6, 0.00295639/step, 3.4263 hours remaining, 206.191406 MB of memory in use. ENERGY: 827800 744.9749 2102.9631 1955.4469 124.3398 -206350.9758 17871.5769 0.0000 0.0000 34500.2653 -149051.4089 301.2994 -183551.6742 -148954.6757 300.5398 129.9122 165.1715 554673.7111 -14.3915 -14.2062 PRESSURE: 828000 -27.3443 -60.3809 -126.208 -60.3797 138.642 61.4202 -126.208 61.4202 -361.376 GPRESSURE: 828000 -32.6316 -56.0333 -105.226 -74.1908 155.566 35.0707 -100.999 73.3147 -278.463 PRESSAVG: 828000 43.0369 -25.521 -60.2002 -25.521 34.6351 4.08628 -60.2002 4.0863 -45.0825 GPRESSAVG: 828000 43.7611 -23.2389 -59.8719 -25.6622 34.6545 5.21038 -58.5426 4.24717 -45.7996 TIMING: 828000 CPU: 2467.2, 0.00296404/step Wall: 2467.2, 0.00296404/step, 3.435 hours remaining, 206.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 828000 674.1748 2118.0669 1948.1921 109.8720 -205734.4053 17496.1609 0.0000 0.0000 34279.4150 -149108.5236 299.3707 -183387.9385 -149006.4321 299.8081 -83.3593 -51.8427 556957.8032 10.8632 10.8720 PRESSURE: 828200 -93.9391 24.2119 -90.2761 24.2116 -286.104 -46.3251 -90.2768 -46.3257 -359.534 GPRESSURE: 828200 -96.2801 46.4576 -34.7857 77.5583 -287.06 -71.7799 -47.689 -7.1476 -268.747 PRESSAVG: 828200 23.3283 34.7415 -62.0931 34.7415 32.211 36.6895 -62.0931 36.6895 -24.0692 GPRESSAVG: 828200 22.7759 33.5982 -62.84 34.4779 32.1168 36.9592 -62.4542 35.5891 -23.401 TIMING: 828200 CPU: 2467.79, 0.00296801/step Wall: 2467.79, 0.00296801/step, 3.43943 hours remaining, 206.191406 MB of memory in use. ENERGY: 828200 789.9465 2120.4931 1936.8866 102.9417 -206089.4436 17654.9266 0.0000 0.0000 34471.7351 -149012.5140 301.0502 -183484.2491 -148920.0352 299.5427 -246.5256 -217.3622 558321.9375 10.4900 10.4972 LDB: ============= START OF LOAD BALANCING ============== 2471.34 LDB: ============== END OF LOAD BALANCING =============== 2471.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2471.34 LDB: ============= START OF LOAD BALANCING ============== 2471.64 LDB: Largest compute 4796 load 0.030018 is 25.4% of average load 0.118155 LDB: Average compute 0.001724 is 1.5% of average load 0.118155 LDB: TIME 2471.64 LOAD: AVG 0.118155 MAX 0.206262 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.215 MB LDB: TIME 2471.64 LOAD: AVG 0.118155 MAX 0.206262 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.418 MB LDB: TIME 2471.64 LOAD: AVG 0.118155 MAX 0.206262 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.418 MB LDB: ============== END OF LOAD BALANCING =============== 2471.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2471.64 PRESSURE: 828400 -149.009 -1.18147 130.614 -1.18229 113.004 99.5702 130.613 99.5701 14.4596 GPRESSURE: 828400 -73.4509 -61.5556 84.1275 -99.151 114.872 80.7165 88.2296 171.643 38.5791 PRESSAVG: 828400 28.1949 -38.3154 -64.7781 -38.3154 12.8126 -38.0239 -64.778 -38.024 -58.8808 GPRESSAVG: 828400 28.0984 -37.959 -65.8134 -38.6521 11.7644 -37.8482 -64.083 -38.0128 -58.4361 TIMING: 828400 CPU: 2468.39, 0.00301582/step Wall: 2468.39, 0.00301582/step, 3.49467 hours remaining, 207.214844 MB of memory in use. ENERGY: 828400 718.0673 2066.6004 1940.2169 110.3638 -205918.9277 17748.2615 0.0000 0.0000 34392.9802 -148942.4375 300.3625 -183335.4177 -148849.0550 300.1210 -7.1820 26.6668 558308.4914 -5.9577 -6.1911 PRESSURE: 828600 -37.1258 59.4082 100.705 59.4079 -205.289 54.3413 100.704 54.3425 -196.849 GPRESSURE: 828600 -28.4105 25.8106 169.28 167.208 -152.374 113.787 -8.41216 -56.3601 -169.75 PRESSAVG: 828600 13.8099 -1.92804 13.9326 -1.92804 12.5959 -12.1595 13.9325 -12.1596 7.70401 GPRESSAVG: 828600 14.4585 -1.7586 16.9634 0.67745 12.3615 -12.2202 12.9609 -12.0658 6.9408 TIMING: 828600 CPU: 2468.98, 0.00292835/step Wall: 2468.98, 0.00292835/step, 3.39315 hours remaining, 207.417969 MB of memory in use. ENERGY: 828600 735.0023 2123.9406 1929.1997 114.1211 -205542.4257 17449.3441 0.0000 0.0000 34286.1607 -148904.6573 299.4296 -183190.8179 -148802.1141 300.9446 -146.4214 -116.8451 559402.2044 11.3699 11.2536 PRESSURE: 828800 -43.3275 -17.3598 156.966 -17.3608 32.5184 -9.8371 156.967 -9.8374 240.909 GPRESSURE: 828800 -3.29799 48.4782 170.045 -83.3952 117.364 -34.6889 133.774 103.284 219.889 PRESSAVG: 828800 40.9501 10.1797 10.1679 10.1798 2.44007 24.3824 10.1679 24.3824 -8.64182 GPRESSAVG: 828800 41.538 10.0368 7.20658 6.61787 3.34245 22.2353 10.0875 23.985 -10.3192 TIMING: 828800 CPU: 2469.57, 0.00293877/step Wall: 2469.57, 0.00293877/step, 3.40505 hours remaining, 207.417969 MB of memory in use. ENERGY: 828800 732.2501 2112.0139 1972.3070 115.1728 -206023.8898 17895.3348 0.0000 0.0000 34110.1741 -149086.6372 297.8926 -183196.8113 -148987.5787 299.8124 76.6999 111.3184 559139.0916 11.5828 11.5204 PRESSURE: 829000 314.212 58.4993 17.3785 58.4989 -76.9029 89.9076 17.3801 89.909 -317.791 GPRESSURE: 829000 284.309 123.661 -11.1364 14.1204 -5.85069 117.033 11.0754 138.234 -258.519 PRESSAVG: 829000 96.9139 12.7071 16.3111 12.7071 -32.6423 38.6396 16.3111 38.6396 -59.229 GPRESSAVG: 829000 96.0733 12.2126 16.975 14.3667 -32.9777 37.9028 15.436 41.2081 -58.062 TIMING: 829000 CPU: 2470.16, 0.00294051/step Wall: 2470.16, 0.00294051/step, 3.40691 hours remaining, 207.417969 MB of memory in use. ENERGY: 829000 745.3446 2058.3093 1922.9798 100.6262 -205905.6073 17717.9558 0.0000 0.0000 34330.9537 -149029.4379 299.8208 -183360.3916 -148932.0532 299.4736 -26.8273 6.6465 558324.9903 1.6809 1.6779 PRESSURE: 829200 -83.8851 165.65 -83.7836 165.65 -203.198 163.962 -83.7834 163.962 -200.77 GPRESSURE: 829200 5.54872 138.052 -123.696 94.3977 -200.933 198.499 -162.549 195.875 -183.778 PRESSAVG: 829200 149.401 5.86843 -66.34 5.86863 -23.0986 33.8017 -66.3399 33.8017 -85.9941 GPRESSAVG: 829200 149.085 6.61974 -64.4382 4.04769 -23.5799 35.7718 -65.8619 33.5905 -85.3143 TIMING: 829200 CPU: 2470.76, 0.00299742/step Wall: 2470.76, 0.00299742/step, 3.47267 hours remaining, 207.417969 MB of memory in use. ENERGY: 829200 711.0206 2112.7247 1974.8913 102.2500 -205558.0796 17563.0879 0.0000 0.0000 34122.8643 -148971.2408 298.0035 -183094.1051 -148875.3456 299.5673 -162.6176 -126.3875 558104.2872 13.4360 13.3968 PRESSURE: 829400 3.99858 -12.3305 90.995 -12.3312 -367.673 69.5665 90.9941 69.5655 -167.917 GPRESSURE: 829400 20.8314 -80.423 172.917 54.2378 -315.834 43.2728 81.4446 39.2046 -143.218 PRESSAVG: 829400 18.6202 -4.04218 -13.575 -4.04217 -38.6103 0.807529 -13.575 0.807604 30.13 GPRESSAVG: 829400 18.4009 -4.40163 -14.1759 -2.53402 -37.444 1.56594 -11.8316 -1.44026 29.4983 TIMING: 829400 CPU: 2471.35, 0.00297793/step Wall: 2471.35, 0.00297793/step, 3.44993 hours remaining, 207.417969 MB of memory in use. ENERGY: 829400 705.1098 2078.8417 1952.9517 101.9224 -205674.0164 17413.9601 0.0000 0.0000 34545.0981 -148876.1325 301.6909 -183421.2307 -148782.1285 300.3173 -177.1970 -146.0736 558080.1781 3.3800 3.4851 PRESSURE: 829600 -408.016 80.3285 33.7972 80.3302 147.504 34.1203 33.7973 34.1204 -224.143 GPRESSURE: 829600 -310.555 122.088 -1.28341 15.8786 80.0471 75.1063 102.576 -43.3201 -158.862 PRESSAVG: 829600 0.439606 2.74532 12.0831 2.74527 -9.59407 72.6058 12.0831 72.6058 9.49089 GPRESSAVG: 829600 0.369314 2.62668 13.4811 2.8215 -10.4838 73.348 11.1797 72.5762 10.0624 TIMING: 829600 CPU: 2471.95, 0.00298202/step Wall: 2471.95, 0.00298201/step, 3.4545 hours remaining, 207.417969 MB of memory in use. ENERGY: 829600 729.1774 2071.4324 1948.7616 115.3083 -205631.3548 17648.9671 0.0000 0.0000 34160.9306 -148956.7774 298.3359 -183117.7080 -148855.8841 300.3893 -161.5514 -129.7901 558072.8279 0.1121 -0.0174 PRESSURE: 829800 21.7093 -53.9369 183.227 -53.9378 -53.4859 -119.261 183.227 -119.26 -139.79 GPRESSURE: 829800 61.6396 -72.6156 179.613 -110.342 -7.28407 -98.2695 202.594 -130.581 -120.777 PRESSAVG: 829800 13.8198 35.9898 19.8249 35.9899 -25.4856 21.4052 19.8249 21.4051 -11.2943 GPRESSAVG: 829800 14.4912 34.0446 18.2284 36.9542 -22.8766 18.3001 20.1085 24.7033 -14.3259 TIMING: 829800 CPU: 2472.54, 0.00298416/step Wall: 2472.54, 0.00298416/step, 3.45682 hours remaining, 207.417969 MB of memory in use. ENERGY: 829800 690.8169 2128.6660 1902.6564 111.8495 -205840.1506 17667.8992 0.0000 0.0000 34434.2051 -148904.0574 300.7225 -183338.2626 -148802.8544 300.3860 -57.1888 -22.1404 558916.4172 -7.6534 -7.5705 PRESSURE: 830000 -174.999 106.663 9.34139 106.664 -168.365 -70.7459 9.34105 -70.747 -257.357 GPRESSURE: 830000 -147.102 100.017 11.7822 111.687 -121.729 -116.806 -4.57828 -28.1858 -235.894 PRESSAVG: 830000 -2.67333 1.54131 -6.09726 1.54138 56.0715 24.2432 -6.09725 24.2432 -25.8831 GPRESSAVG: 830000 -4.38387 3.22825 -5.52684 2.05884 54.543 25.7535 -6.06053 22.7134 -22.5647 TIMING: 830000 CPU: 2473.14, 0.00297986/step Wall: 2473.14, 0.00297986/step, 3.45167 hours remaining, 207.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 830000 743.1829 2043.3262 1932.3930 106.9798 -205775.5580 17422.4604 0.0000 0.0000 34580.1600 -148947.0557 301.9971 -183527.2157 -148847.3308 300.7433 -200.2405 -168.2416 557903.6791 9.1717 9.1982 PRESSURE: 830200 38.5954 -126.333 33.9006 -126.334 -234.478 -52.9504 33.9019 -52.9509 -176.248 GPRESSURE: 830200 90.9532 -228.177 54.3254 -90.1633 -171.363 -41.4061 67.3981 -17.4167 -202.6 PRESSAVG: 830200 25.4606 -21.3756 29.3172 -21.3756 -21.4677 -32.9724 29.3173 -32.9725 -23.1536 GPRESSAVG: 830200 27.3466 -22.0448 30.2895 -22.2079 -21.4791 -33.0022 28.1374 -33.3353 -25.2083 TIMING: 830200 CPU: 2473.74, 0.00299458/step Wall: 2473.74, 0.00299458/step, 3.46855 hours remaining, 207.417969 MB of memory in use. ENERGY: 830200 728.9818 2064.2444 1947.1280 102.7162 -205742.5775 17454.1518 0.0000 0.0000 34459.2401 -148986.1152 300.9411 -183445.3553 -148891.1584 300.1833 -124.0437 -94.3369 556300.2656 -6.3869 -6.4469 PRESSURE: 830400 92.2619 -17.7412 -111.194 -17.742 -25.0735 48.3327 -111.195 48.3338 77.1102 GPRESSURE: 830400 125.991 -8.21228 -131.944 -72.5676 16.7116 52.1773 -37.5519 66.2271 86.0248 PRESSAVG: 830400 17.7458 -52.1012 -43.171 -52.1012 4.75257 22.7224 -43.1711 22.7224 1.04846 GPRESSAVG: 830400 17.8255 -51.8343 -43.5161 -52.9578 4.26509 25.4089 -42.2391 23.0995 1.92165 TIMING: 830400 CPU: 2474.34, 0.00298223/step Wall: 2474.34, 0.00298223/step, 3.45408 hours remaining, 207.417969 MB of memory in use. ENERGY: 830400 732.4458 2062.0209 1958.4185 113.2722 -206086.8275 17825.2113 0.0000 0.0000 34492.6490 -148902.8098 301.2329 -183395.4588 -148802.3687 300.1747 48.0995 76.2423 557416.7469 7.8489 8.0041 PRESSURE: 830600 -166.986 31.3668 -90.6144 31.3682 -397.817 -136.343 -90.615 -136.341 -209.712 GPRESSURE: 830600 -141.193 141.803 -9.32787 -19.3693 -365.647 -179.155 -150.729 -70.3663 -169.793 PRESSAVG: 830600 23.399 -21.8316 -79.7167 -21.8316 -6.89878 -0.784002 -79.7167 -0.783912 3.69059 GPRESSAVG: 830600 22.448 -20.9088 -81.0419 -23.6122 -6.1173 -2.07504 -77.3572 -1.53665 3.5863 TIMING: 830600 CPU: 2474.93, 0.00296043/step Wall: 2474.93, 0.00296043/step, 3.42867 hours remaining, 207.417969 MB of memory in use. ENERGY: 830600 719.6321 2131.8189 1916.7907 129.3051 -205634.8523 17394.0398 0.0000 0.0000 34421.5381 -148921.7275 300.6119 -183343.2656 -148828.0347 300.5136 -258.1715 -225.5444 559453.9801 6.7303 6.6390 PRESSURE: 830800 85.2064 23.5579 59.0962 23.558 -190.516 61.6993 59.0958 61.6991 97.019 GPRESSURE: 830800 156.664 91.2228 101.492 51.8338 -158.489 48.1626 -46.2851 0.538351 78.9904 PRESSAVG: 830800 -4.597 62.4179 32.2459 62.4178 -2.93168 16.7901 32.2458 16.79 19.7249 GPRESSAVG: 830800 -6.11445 61.7918 33.1502 63.004 -2.59148 16.2035 31.6016 17.1417 20.2995 TIMING: 830800 CPU: 2475.52, 0.00295873/step Wall: 2475.52, 0.00295873/step, 3.42654 hours remaining, 207.417969 MB of memory in use. ENERGY: 830800 743.1823 2115.2142 1952.1614 117.3846 -206202.3640 17832.4578 0.0000 0.0000 34332.4893 -149109.4742 299.8342 -183441.9636 -149019.7355 300.3395 -2.7637 25.7218 557380.2638 4.0654 3.8645 PRESSURE: 831000 78.8984 -77.993 -163.292 -77.9942 55.2447 -55.8681 -163.292 -55.8687 -80.2256 GPRESSURE: 831000 91.6195 -77.4412 -152.546 -61.0441 53.1205 -21.1324 -147.187 -126.539 18.1352 PRESSAVG: 831000 -33.0623 42.3733 30.4685 42.3733 -2.73967 -47.3365 30.4684 -47.3364 46.2821 GPRESSAVG: 831000 -30.7259 41.5036 29.709 43.2681 -4.28246 -48.6006 30.8561 -45.73 45.3118 TIMING: 831000 CPU: 2476.11, 0.00297057/step Wall: 2476.11, 0.00297057/step, 3.44008 hours remaining, 207.417969 MB of memory in use. ENERGY: 831000 713.4904 2082.4807 1952.3234 118.7884 -206100.0147 17639.6155 0.0000 0.0000 34490.6336 -149102.6827 301.2153 -183593.3164 -149007.2642 299.5529 17.9725 54.2917 556311.5050 3.4934 3.4345 PRESSURE: 831200 -48.3883 -8.92774 -121.677 -8.92725 -218.686 -88.1402 -121.676 -88.1401 -195.579 GPRESSURE: 831200 -24.4219 15.0693 -55.4664 -62.8899 -150.218 -114.484 -53.7003 -89.4326 -182.17 PRESSAVG: 831200 45.3369 -19.4185 -15.25 -19.4185 10.9362 -60.9893 -15.25 -60.9893 -47.0489 GPRESSAVG: 831200 44.1812 -18.6187 -13.1552 -19.2681 12.7324 -58.5447 -16.7599 -62.5929 -47.4861 TIMING: 831200 CPU: 2476.7, 0.00294664/step Wall: 2476.7, 0.00294664/step, 3.41221 hours remaining, 207.417969 MB of memory in use. ENERGY: 831200 757.9624 2039.3763 1932.2531 101.9168 -205679.9208 17610.9594 0.0000 0.0000 34168.8020 -149068.6508 298.4046 -183237.4528 -148968.9060 299.8829 -154.2176 -118.9368 557706.1485 3.0747 3.1425 PRESSURE: 831400 166.514 32.1291 -104.392 32.128 -234.177 118.036 -104.393 118.036 -120.94 GPRESSURE: 831400 194.126 -22.0719 -113.74 64.219 -194.149 85.2807 -91.196 127.931 -85.5151 PRESSAVG: 831400 -14.2708 30.7609 16.1164 30.7609 49.6424 -57.0311 16.1164 -57.031 -31.4169 GPRESSAVG: 831400 -14.332 30.853 14.8206 31.5831 48.9053 -59.2214 16.4405 -55.8016 -30.5442 TIMING: 831400 CPU: 2477.3, 0.0029639/step Wall: 2477.3, 0.0029639/step, 3.43203 hours remaining, 207.417969 MB of memory in use. ENERGY: 831400 724.1054 2147.7784 1930.3546 107.3350 -205992.1298 17699.6481 0.0000 0.0000 34318.7062 -149064.2021 299.7138 -183382.9083 -148971.8463 299.8926 -62.8676 -28.5126 557400.4063 1.3182 1.3431 PRESSURE: 831600 -117.268 26.2688 19.5686 26.269 -239.49 176.576 19.5687 176.578 -86.2563 GPRESSURE: 831600 -90.5503 -20.3253 -10.6824 30.5482 -191.08 183.186 -11.4094 169.87 -60.6374 PRESSAVG: 831600 38.2444 20.0955 -42.5566 20.0957 18.8113 17.3248 -42.5567 17.3247 -66.0955 GPRESSAVG: 831600 37.0074 20.525 -43.9403 19.849 20.2184 18.8016 -42.6089 16.7603 -66.0167 TIMING: 831600 CPU: 2477.89, 0.00297406/step Wall: 2477.89, 0.00297406/step, 3.44363 hours remaining, 207.417969 MB of memory in use. ENERGY: 831600 795.4589 2101.4862 1929.5320 110.1432 -206311.4343 17677.9163 0.0000 0.0000 34474.6779 -149222.2199 301.0759 -183696.8979 -149124.8384 299.4151 -147.6712 -114.0893 558013.5361 -3.0133 -2.9303 PRESSURE: 831800 46.3698 87.5113 155.721 87.5113 -5.42499 -139.418 155.723 -139.418 -47.2685 GPRESSURE: 831800 107.556 91.4802 35.541 82.7678 -10.7143 -183.756 192.196 -170.243 -8.11101 PRESSAVG: 831800 46.192 44.8158 20.1262 44.8158 -24.3692 15.2381 20.1262 15.2381 -30.857 GPRESSAVG: 831800 47.5077 43.1428 20.2089 44.4225 -24.2816 17.2753 20.5033 13.9737 -32.1064 TIMING: 831800 CPU: 2478.49, 0.00298656/step Wall: 2478.49, 0.00298656/step, 3.45794 hours remaining, 207.417969 MB of memory in use. ENERGY: 831800 726.8280 2098.4270 1943.1859 116.3631 -206118.0441 17863.4322 0.0000 0.0000 34166.7681 -149203.0398 298.3869 -183369.8079 -149110.0420 299.2612 -2.1079 29.5768 558597.3317 -3.0114 -2.9601 PRESSURE: 832000 -229.194 8.41748 -194.882 8.41676 -225.942 129.361 -194.882 129.363 -318.707 GPRESSURE: 832000 -186.454 0.0287148 -261.81 90.4442 -248.053 157.436 -170.405 101.976 -250.854 PRESSAVG: 832000 33.5933 34.8793 13.4973 34.8793 -61.2264 -4.16842 13.4973 -4.16839 56.5451 GPRESSAVG: 832000 33.9218 35.5049 14.3584 35.1582 -61.5248 -6.18262 13.3822 -4.21309 56.3636 TIMING: 832000 CPU: 2479.08, 0.00295848/step Wall: 2479.08, 0.00295848/step, 3.42526 hours remaining, 207.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 832000 748.9341 2162.9372 1928.0080 103.0321 -205866.8708 17521.5724 0.0000 0.0000 34316.3953 -149085.9919 299.6936 -183402.3871 -148990.4898 298.9859 -257.9475 -228.4536 559168.0412 9.6373 9.5869 PRESSURE: 832200 -212.322 -307.98 37.4315 -307.98 193.111 -15.604 37.4324 -15.6025 284.68 GPRESSURE: 832200 -179.887 -254.027 70.0637 -266.606 244.669 -77.4281 43.0165 -5.36942 299.38 PRESSAVG: 832200 2.00858 -84.4899 -8.26258 -84.4899 -3.88251 -20.9692 -8.26258 -20.9691 10.567 GPRESSAVG: 832200 1.81916 -84.7494 -7.88219 -84.4275 -4.39001 -22.7345 -7.80744 -16.8107 11.1014 TIMING: 832200 CPU: 2479.68, 0.00297919/step Wall: 2479.68, 0.00297919/step, 3.44908 hours remaining, 207.417969 MB of memory in use. ENERGY: 832200 768.5163 2068.8870 1949.4639 113.8790 -206605.4854 18043.6465 0.0000 0.0000 34411.1633 -149249.9294 300.5212 -183661.0927 -149159.2791 299.7770 88.4896 121.3873 557246.0997 2.8977 2.8435 LDB: ============= START OF LOAD BALANCING ============== 2483.22 LDB: ============== END OF LOAD BALANCING =============== 2483.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2483.22 LDB: ============= START OF LOAD BALANCING ============== 2483.52 LDB: Largest compute 4796 load 0.029157 is 24.7% of average load 0.118091 LDB: Average compute 0.001720 is 1.5% of average load 0.118091 LDB: TIME 2483.52 LOAD: AVG 0.118091 MAX 0.205238 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.246 MB LDB: TIME 2483.52 LOAD: AVG 0.118091 MAX 0.205238 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.246 MB LDB: TIME 2483.52 LOAD: AVG 0.118091 MAX 0.205238 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.246 MB LDB: ============== END OF LOAD BALANCING =============== 2483.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2483.53 PRESSURE: 832400 2.16186 130.554 1.68371 130.555 48.7995 99.196 1.6829 99.1967 -167.296 GPRESSURE: 832400 34.8115 134.239 48.5657 71.758 13.7687 94.5693 23.3538 66.9463 -69.627 PRESSAVG: 832400 13.0642 -7.74798 70.4814 -7.74797 -0.81186 10.0725 70.4814 10.0725 -2.21854 GPRESSAVG: 832400 12.2415 -6.1646 69.8704 -7.86928 -0.42886 11.5136 71.4604 6.72561 -1.94132 TIMING: 832400 CPU: 2480.28, 0.00301627/step Wall: 2480.28, 0.00301627/step, 3.49184 hours remaining, 206.703125 MB of memory in use. ENERGY: 832400 728.2752 2122.1049 1958.4006 105.7786 -206246.6575 17833.5023 0.0000 0.0000 34236.0914 -149262.5046 298.9923 -183498.5961 -149166.7950 299.3221 -38.7781 -7.0156 557768.4699 3.3446 3.2904 PRESSURE: 832600 198.941 -185.163 25.0673 -185.163 -75.2762 44.0469 25.0675 44.0474 15.7682 GPRESSURE: 832600 151.509 -144.075 -59.1425 -201.529 25.4453 60.5036 -44.4968 77.8509 59.6593 PRESSAVG: 832600 -60.9562 -35.5997 25.9011 -35.5996 43.6369 -25.1414 25.901 -25.1414 62.3165 GPRESSAVG: 832600 -59.9342 -37.4701 25.9103 -34.0229 44.0861 -28.1408 25.6154 -22.5406 60.4491 TIMING: 832600 CPU: 2480.87, 0.00295562/step Wall: 2480.87, 0.00295562/step, 3.42146 hours remaining, 206.703125 MB of memory in use. ENERGY: 832600 721.3645 2204.5692 1932.0145 109.5997 -206336.3259 17935.5548 0.0000 0.0000 34087.4923 -149345.7309 297.6945 -183433.2232 -149241.6413 299.1446 46.4775 78.8713 557550.4616 14.9991 14.8670 PRESSURE: 832800 193.991 -109.486 -39.0389 -109.486 2.85331 193.733 -39.0376 193.732 -338.318 GPRESSURE: 832800 217.343 -81.1928 -104.986 -135.605 53.369 179.227 84.7368 183.907 -329.486 PRESSAVG: 832800 68.8637 22.2726 26.1351 22.2726 31.0893 -3.95277 26.135 -3.95279 -68.4518 GPRESSAVG: 832800 67.3781 22.4241 27.2911 22.766 30.6814 -1.8929 26.1398 -5.21039 -67.221 TIMING: 832800 CPU: 2481.46, 0.00296721/step Wall: 2481.46, 0.00296721/step, 3.43471 hours remaining, 206.703125 MB of memory in use. ENERGY: 832800 756.1404 2147.4398 1912.5470 116.2287 -206267.5114 17849.9865 0.0000 0.0000 34115.2006 -149369.9684 297.9365 -183485.1690 -149273.7300 299.0312 -47.1580 -19.5916 557647.3680 10.5004 10.2795 PRESSURE: 833000 220.048 -106.806 108.934 -106.806 -228.234 -36.4777 108.935 -36.4778 -452.898 GPRESSURE: 833000 234.925 -152.334 55.8493 -70.4292 -202.082 -30.4531 102.59 -116.948 -398.186 PRESSAVG: 833000 48.2563 49.0618 5.94868 49.0617 -33.1037 -42.7516 5.94887 -42.7516 2.54478 GPRESSAVG: 833000 49.1719 48.5639 3.68622 47.875 -34.4364 -42.0007 5.70881 -43.8698 3.22387 TIMING: 833000 CPU: 2482.06, 0.00297644/step Wall: 2482.06, 0.00297644/step, 3.44523 hours remaining, 206.703125 MB of memory in use. ENERGY: 833000 772.4500 2149.1987 1938.5685 121.7439 -206202.0699 17686.7619 0.0000 0.0000 34151.7336 -149381.6133 298.2556 -183533.3469 -149285.9864 299.0249 -153.6948 -121.7812 560007.3761 5.8991 5.9864 PRESSURE: 833200 -82.8488 193.215 -118.718 193.215 15.2217 171.769 -118.718 171.768 -145.876 GPRESSURE: 833200 -87.3213 202.971 -140.162 300.779 98.7366 139.053 -96.5301 223.68 -120.765 PRESSAVG: 833200 56.7499 -9.51939 0.74198 -9.5194 -8.55558 -16.3495 0.742014 -16.3494 -22.2091 GPRESSAVG: 833200 56.6306 -9.92301 2.93785 -7.89 -7.68525 -16.9136 -1.82119 -15.3466 -22.4498 TIMING: 833200 CPU: 2482.65, 0.00297032/step Wall: 2482.65, 0.00297032/step, 3.43798 hours remaining, 206.703125 MB of memory in use. ENERGY: 833200 738.8492 2099.6517 1952.9422 119.4197 -206358.9816 18010.3376 0.0000 0.0000 34177.2645 -149260.5167 298.4786 -183437.7812 -149165.0175 299.0428 -71.1677 -36.4500 560367.9752 8.6617 8.8318 PRESSURE: 833400 -35.1909 -66.0916 56.0951 -66.092 -82.7092 -137.293 56.0954 -137.293 -38.0974 GPRESSURE: 833400 -3.48356 43.6546 96.3915 -169.526 -22.4844 -100.143 13.0408 -58.7798 -27.4248 PRESSAVG: 833400 -6.4022 64.643 5.69307 64.643 19.343 -11.4358 5.69309 -11.4358 36.895 GPRESSAVG: 833400 -6.45633 65.5965 4.38813 62.1289 19.3126 -11.7175 6.08567 -10.3632 37.065 TIMING: 833400 CPU: 2483.24, 0.00294474/step Wall: 2483.24, 0.00294474/step, 3.40821 hours remaining, 206.906250 MB of memory in use. ENERGY: 833400 744.3777 2148.9926 1948.2129 115.0355 -206140.2660 17792.7615 0.0000 0.0000 34121.4302 -149269.4556 297.9909 -183390.8858 -149175.5438 299.0772 -51.9992 -17.7976 558447.0430 16.6119 16.6404 PRESSURE: 833600 -92.2925 162.42 -118.656 162.421 50.1789 76.7394 -118.657 76.7396 11.2189 GPRESSURE: 833600 -41.6825 132.833 -109.247 201.828 93.5985 83.2169 -101.976 43.5702 13.5468 PRESSAVG: 833600 2.68352 74.2928 8.80375 74.2928 -29.4731 -23.359 8.80381 -23.359 1.37242 GPRESSAVG: 833600 3.06373 74.3695 10.8101 75.1078 -30.0095 -21.2773 9.44365 -25.5222 1.48353 TIMING: 833600 CPU: 2483.84, 0.00296779/step Wall: 2483.84, 0.00296779/step, 3.43472 hours remaining, 206.906250 MB of memory in use. ENERGY: 833600 789.1358 2140.8057 1923.2414 111.9390 -206304.8235 17882.3290 0.0000 0.0000 34153.4636 -149303.9090 298.2707 -183457.3725 -149203.2428 299.0453 -10.2982 21.8210 557426.4834 -8.4724 -8.4874 PRESSURE: 833800 -101.446 72.8998 -22.4226 72.8999 -100.67 -202.172 -22.4231 -202.171 2.01788 GPRESSURE: 833800 -96.1799 125.083 75.541 44.2179 -15.781 -193.956 -71.4486 -193.134 24.3203 PRESSAVG: 833800 -12.0654 -15.1058 -11.2663 -15.1057 -16.4861 -27.7314 -11.2663 -27.7315 36.9653 GPRESSAVG: 833800 -11.998 -13.1341 -12.2355 -16.0409 -15.0054 -28.2707 -10.7033 -25.7485 36.4097 TIMING: 833800 CPU: 2484.43, 0.0029753/step Wall: 2484.43, 0.0029753/step, 3.44325 hours remaining, 206.906250 MB of memory in use. ENERGY: 833800 767.8926 2072.8488 1946.6961 118.5540 -206380.0841 17807.7119 0.0000 0.0000 34273.2827 -149393.0980 299.3171 -183666.3807 -149296.5973 299.2070 -66.6993 -29.2136 558157.3515 2.8046 3.1354 PRESSURE: 834000 201.814 168.273 -34.5319 168.273 -40.3247 -172.006 -34.5317 -172.004 -146.393 GPRESSURE: 834000 247.711 154.073 -33.9117 190.694 19.5808 -180.27 -12.904 -145.302 -162.533 PRESSAVG: 834000 38.7624 62.4338 7.71537 62.4338 37.0169 -71.3486 7.71538 -71.3485 -29.5992 GPRESSAVG: 834000 39.2194 59.8134 7.82832 66.1162 35.3353 -71.6329 7.95214 -71.9642 -28.7762 TIMING: 834000 CPU: 2485.03, 0.00298667/step Wall: 2485.03, 0.00298667/step, 3.45624 hours remaining, 206.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 834000 771.9231 2128.4947 1940.8420 132.9227 -206553.0725 17960.8594 0.0000 0.0000 34137.9604 -149480.0702 298.1353 -183618.0307 -149385.5059 298.7241 5.0321 34.9197 557003.4142 15.3934 15.2595 PRESSURE: 834200 -57.7988 355.846 -69.8313 355.845 147.816 68.7263 -69.83 68.7268 51.0125 GPRESSURE: 834200 -20.2483 297.229 -132.775 320.579 157.102 69.6575 -57.8654 62.4335 102.634 PRESSAVG: 834200 3.70123 32.0173 26.3218 32.0174 -61.2602 -6.54218 26.3217 -6.54229 20.7585 GPRESSAVG: 834200 3.38125 34.2964 24.1939 29.0084 -60.1709 -7.27439 25.0472 -6.2853 19.9277 TIMING: 834200 CPU: 2485.62, 0.00297705/step Wall: 2485.62, 0.00297705/step, 3.44494 hours remaining, 206.906250 MB of memory in use. ENERGY: 834200 732.1611 2091.7405 1976.3070 108.4985 -206467.4963 17797.6761 0.0000 0.0000 34234.1896 -149526.9234 298.9757 -183761.1130 -149429.2453 298.7418 47.0100 79.8293 554936.5888 -12.2668 -12.2873 PRESSURE: 834400 -110.89 47.8616 -101.743 47.8613 -148.211 126.033 -101.743 126.033 -2.07896 GPRESSURE: 834400 -102.379 10.4557 -159.885 83.1908 -93.1529 88.9809 -31.4046 34.6216 30.3282 PRESSAVG: 834400 -56.2443 11.3618 19.441 11.3618 45.8195 38.26 19.441 38.2598 -6.04035 GPRESSAVG: 834400 -55.7107 9.57874 21.7377 13.2922 46.0735 39.5471 19.1342 37.2311 -6.81777 TIMING: 834400 CPU: 2486.21, 0.00295593/step Wall: 2486.21, 0.00295593/step, 3.42033 hours remaining, 206.906250 MB of memory in use. ENERGY: 834400 751.4952 2088.4180 1914.1710 102.7048 -206310.0084 17712.5827 0.0000 0.0000 34056.1289 -149684.5077 297.4206 -183740.6367 -149589.9352 298.6919 -87.0598 -55.0677 556411.6011 -5.4884 -5.4850 PRESSURE: 834600 -241.262 -27.3342 80.2583 -27.3338 -63.7511 113.043 80.2574 113.044 -164.648 GPRESSURE: 834600 -220.362 29.57 85.6792 -76.0411 -14.0168 68.988 110.49 125.286 -158.813 PRESSAVG: 834600 10.9314 39.9145 37.6286 39.9145 8.06646 -32.0386 37.6286 -32.0386 17.1058 GPRESSAVG: 834600 9.75849 40.8272 38.1198 37.6364 8.09939 -34.3849 37.191 -31.3199 17.3403 TIMING: 834600 CPU: 2486.81, 0.00297553/step Wall: 2486.81, 0.00297553/step, 3.44285 hours remaining, 206.906250 MB of memory in use. ENERGY: 834600 767.3316 2095.4432 1928.6565 98.8849 -206382.6836 17738.3530 0.0000 0.0000 34069.7952 -149684.2192 297.5400 -183754.0144 -149589.9715 298.3519 -156.5536 -131.0641 557146.6695 12.0345 11.7327 PRESSURE: 834800 101.37 95.3012 20.89 95.3002 -194.588 -61.6198 20.8906 -61.6176 13.8914 GPRESSURE: 834800 103.186 96.119 34.7379 14.4146 -155.256 -46.6151 -23.5432 -92.9537 66.387 PRESSAVG: 834800 -0.00517874 32.5307 58.7084 32.5306 1.37433 -47.9366 58.7083 -47.9365 9.75828 GPRESSAVG: 834800 -0.68655 33.7183 57.197 32.6983 0.982934 -46.0889 59.5142 -48.3472 10.584 TIMING: 834800 CPU: 2487.4, 0.00297692/step Wall: 2487.4, 0.00297692/step, 3.44429 hours remaining, 206.906250 MB of memory in use. ENERGY: 834800 739.9808 2107.7923 1921.6884 122.1181 -206668.5749 17834.0405 0.0000 0.0000 34043.4274 -149899.5274 297.3097 -183942.9548 -149800.4540 298.0802 -26.4421 4.7723 555869.1601 3.7091 3.6268 PRESSURE: 835000 89.5338 70.7916 174.786 70.7905 247.826 90.1205 174.786 90.119 222.266 GPRESSURE: 835000 116.333 97.8051 132.064 49.899 275.369 1.63529 166.395 134.808 260.374 PRESSAVG: 835000 18.8673 35.0222 14.6604 35.0222 34.5339 -30.3033 14.6603 -30.3033 -65.16 GPRESSAVG: 835000 20.4051 35.0558 14.5068 34.7116 34.2292 -29.0525 14.5474 -31.0101 -66.2439 TIMING: 835000 CPU: 2488, 0.00298319/step Wall: 2488, 0.00298319/step, 3.45139 hours remaining, 206.906250 MB of memory in use. ENERGY: 835000 753.2014 2084.9415 1919.2548 108.4787 -207336.3779 18342.1452 0.0000 0.0000 34240.8379 -149887.5183 299.0338 -184128.3562 -149789.6532 298.2122 186.5420 217.3586 555329.5593 -3.9196 -3.8698 PRESSURE: 835200 180.268 62.123 -92.5339 62.1215 172.184 -262.474 -92.5352 -262.475 66.7426 GPRESSURE: 835200 164.554 67.3206 -114.323 19.4484 203.406 -368.015 -35.5028 -317.452 146.125 PRESSAVG: 835200 53.0494 -8.07356 -30.5644 -8.07362 -17.8025 -65.3369 -30.5644 -65.3368 -29.333 GPRESSAVG: 835200 53.0927 -10.0135 -30.2482 -7.33919 -18.4946 -67.8706 -31.0021 -64.9584 -29.0142 TIMING: 835200 CPU: 2488.6, 0.00297086/step Wall: 2488.6, 0.00297086/step, 3.43695 hours remaining, 206.906250 MB of memory in use. ENERGY: 835200 719.6272 2068.6563 1940.7644 114.7611 -206863.2134 18159.0680 0.0000 0.0000 34223.7348 -149636.6016 298.8844 -183860.3364 -149543.3266 298.0506 139.7314 171.3617 557046.7721 1.9713 1.8613 PRESSURE: 835400 -140.71 89.6052 -225.739 89.6038 -84.1549 -14.7845 -225.737 -14.7838 -78.0184 GPRESSURE: 835400 -71.7838 143.993 -166.438 38.9956 -73.8385 -54.7407 -288.843 -12.6121 -40.3693 PRESSAVG: 835400 30.3643 25.8039 12.641 25.8038 -31.1186 -30.8404 12.641 -30.8404 -3.94457 GPRESSAVG: 835400 30.4253 27.5404 12.0063 25.2527 -30.6541 -28.6881 13.613 -30.9892 -4.38257 TIMING: 835400 CPU: 2489.19, 0.00296564/step Wall: 2489.19, 0.00296564/step, 3.43075 hours remaining, 206.906250 MB of memory in use. ENERGY: 835400 734.6644 2048.9990 1920.9675 111.7028 -206120.1293 17616.4856 0.0000 0.0000 34300.8226 -149386.4875 299.5576 -183687.3102 -149292.5197 298.8830 -100.9610 -61.9972 557332.8653 -1.5663 -1.5371 PRESSURE: 835600 179.192 99.1785 11.5623 99.1793 132.259 -200.668 11.5622 -200.669 13.7756 GPRESSURE: 835600 245.091 129.372 49.0479 97.9539 126.668 -165.83 25.561 -239.715 50.5635 PRESSAVG: 835600 32.6067 4.77264 -25.4447 4.77275 -11.0194 -3.64344 -25.4446 -3.64351 -47.7761 GPRESSAVG: 835600 32.5713 3.14969 -24.6919 5.94668 -11.1193 -5.7759 -26.5256 -2.82494 -47.2652 TIMING: 835600 CPU: 2489.78, 0.00296442/step Wall: 2489.78, 0.00296442/step, 3.42917 hours remaining, 206.906250 MB of memory in use. ENERGY: 835600 734.5198 2065.4577 1939.2024 121.2638 -206264.3111 17810.2743 0.0000 0.0000 34278.5384 -149315.0548 299.3630 -183593.5932 -149221.6009 299.1283 108.4087 140.7743 555051.0889 -8.7296 -8.6044 PRESSURE: 835800 -182.989 -2.80295 -61.3889 -2.80405 150.439 -105.554 -61.3906 -105.555 -100.914 GPRESSURE: 835800 -186.62 31.4262 -83.9187 38.4703 181.83 -31.4696 6.38557 -120.419 -40.1499 PRESSAVG: 835800 46.4014 0.0991148 -3.40508 0.0991226 26.5178 -60.8689 -3.40512 -60.8689 -48.6368 GPRESSAVG: 835800 46.0433 0.418534 -3.42531 -1.53251 28.5251 -57.1624 -1.33109 -62.4303 -50.1655 TIMING: 835800 CPU: 2490.38, 0.00301456/step Wall: 2490.38, 0.00301456/step, 3.48701 hours remaining, 206.906250 MB of memory in use. ENERGY: 835800 737.2403 2079.7315 1915.3173 103.7410 -206290.8616 17830.4979 0.0000 0.0000 34220.9654 -149403.3683 298.8602 -183624.3337 -149302.7763 299.1941 -44.4877 -14.9802 557457.3440 8.0941 8.1343 PRESSURE: 836000 105.632 -55.1373 96.3737 -55.136 -39.5238 -112.562 96.3737 -112.563 215.977 GPRESSURE: 836000 192.79 -122.296 -5.0782 -149.403 -6.31348 -64.5426 155.558 -150.454 199.263 PRESSAVG: 836000 44.9727 30.3758 32.9694 30.3758 16.4415 -42.192 32.9694 -42.192 -35.3811 GPRESSAVG: 836000 43.8945 29.7197 30.799 31.7576 16.6085 -44.6229 31.6211 -40.5688 -34.3165 TIMING: 836000 CPU: 2490.98, 0.00299964/step Wall: 2490.98, 0.00299964/step, 3.46958 hours remaining, 206.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 836000 729.5269 2092.0995 1894.7695 107.7134 -206112.0910 18055.1149 0.0000 0.0000 33885.2678 -149347.5988 295.9285 -183232.8667 -149251.5816 298.9953 94.0282 128.5798 557376.9107 8.6777 8.7288 PRESSURE: 836200 -166.966 -21.0287 123.868 -21.0298 215.065 -166.999 123.868 -166.999 -329.117 GPRESSURE: 836200 -103.161 16.9504 170.659 -121.256 209.504 -180.923 88.4012 -160.551 -288.792 PRESSAVG: 836200 15.0133 24.7107 56.9829 24.7106 -39.6933 -52.6682 56.983 -52.668 21.0049 GPRESSAVG: 836200 16.2454 24.8693 59.3711 24.8177 -40.655 -52.3508 56.2427 -54.0687 20.9134 TIMING: 836200 CPU: 2491.58, 0.00299949/step Wall: 2491.58, 0.00299949/step, 3.46925 hours remaining, 206.906250 MB of memory in use. ENERGY: 836200 744.9351 2086.0654 1939.0323 110.5755 -206351.4310 17783.3632 0.0000 0.0000 34219.3939 -149468.0656 298.8465 -183687.4595 -149379.4888 299.1326 -93.6723 -60.8163 558361.8139 -1.2250 -1.1654 LDB: ============= START OF LOAD BALANCING ============== 2495.14 LDB: ============== END OF LOAD BALANCING =============== 2495.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2495.14 LDB: ============= START OF LOAD BALANCING ============== 2495.44 LDB: Largest compute 4796 load 0.030082 is 25.5% of average load 0.118165 LDB: Average compute 0.001731 is 1.5% of average load 0.118165 LDB: TIME 2495.44 LOAD: AVG 0.118165 MAX 0.206745 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.984 MB LDB: TIME 2495.44 LOAD: AVG 0.118165 MAX 0.206745 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.184 MB LDB: TIME 2495.44 LOAD: AVG 0.118165 MAX 0.206745 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.184 MB LDB: ============== END OF LOAD BALANCING =============== 2495.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2495.45 PRESSURE: 836400 -170.09 -9.36607 -24.4028 -9.36691 -220.382 199.974 -24.4028 199.973 211.831 GPRESSURE: 836400 -165.927 -17.9221 5.52774 77.4516 -133.338 242.485 -1.98794 115.721 218.098 PRESSAVG: 836400 -7.79787 -15.5953 34.5025 -15.5953 -84.5027 37.6766 34.5025 37.6765 13.3825 GPRESSAVG: 836400 -8.1885 -15.1767 33.307 -17.9341 -84.1627 36.3009 37.3192 40.2263 13.2646 TIMING: 836400 CPU: 2492.2, 0.00307686/step Wall: 2492.2, 0.00307686/step, 3.55856 hours remaining, 208.753906 MB of memory in use. ENERGY: 836400 717.7013 2076.8212 1965.8770 105.6647 -205972.5024 17611.9460 0.0000 0.0000 34096.5097 -149397.9826 297.7733 -183494.4923 -149300.7868 298.3496 -59.5472 -27.0558 556695.2285 -26.3060 -26.3622 PRESSURE: 836600 -232.051 109.496 66.8854 109.497 -164.179 -78.5438 66.8872 -78.5438 -153.509 GPRESSURE: 836600 -211.705 92.2489 73.4359 186.249 -151.721 -55.6608 71.5612 -82.6632 -92.3409 PRESSAVG: 836600 -8.77719 2.2717 62.9154 2.2717 -27.5687 33.1807 62.9153 33.1807 37.6158 GPRESSAVG: 836600 -7.39435 2.7341 63.6081 3.24605 -29.0396 34.9096 59.8193 31.3293 37.9528 TIMING: 836600 CPU: 2492.8, 0.00302123/step Wall: 2492.8, 0.00302123/step, 3.49405 hours remaining, 208.824219 MB of memory in use. ENERGY: 836600 719.3183 2084.0184 1928.0218 106.3152 -205879.4216 17426.1517 0.0000 0.0000 34238.6417 -149376.9546 299.0146 -183615.5963 -149286.3826 298.4456 -183.2465 -151.9224 557116.1938 0.4233 0.5063 PRESSURE: 836800 -18.3374 137.513 40.2138 137.513 -281.224 102.752 40.215 102.75 -363.36 GPRESSURE: 836800 -39.1138 246.484 45.6557 107.825 -253.586 6.58025 -23.6144 180.661 -277.541 PRESSAVG: 836800 -5.67701 53.8659 7.6337 53.8658 -51.4568 -41.7098 7.63376 -41.7098 73.5662 GPRESSAVG: 836800 -5.75887 53.7979 7.87779 53.1823 -52.2247 -42.3817 10.5755 -40.289 74.2921 TIMING: 836800 CPU: 2493.41, 0.00302253/step Wall: 2493.41, 0.00302253/step, 3.49538 hours remaining, 208.824219 MB of memory in use. ENERGY: 836800 776.5229 2067.5323 1931.9945 116.5437 -205640.1810 17327.7122 0.0000 0.0000 34237.2810 -149182.5944 299.0027 -183419.8753 -149095.5939 299.3891 -220.9739 -190.0800 556622.1139 5.4775 5.4362 PRESSURE: 837000 -174.909 83.5799 50.599 83.579 66.9285 -68.0033 50.5989 -68.0042 117.125 GPRESSURE: 837000 -148.809 66.4609 125.024 141.847 109.901 -114.473 123.24 -19.153 147.405 PRESSAVG: 837000 40.3329 32.0005 42.9227 32.0004 3.45681 28.1795 42.9226 28.1796 -49.6035 GPRESSAVG: 837000 38.914 30.0184 42.784 33.3713 5.78744 28.0914 40.7679 28.2264 -50.5741 TIMING: 837000 CPU: 2494.01, 0.0030261/step Wall: 2494.01, 0.0030261/step, 3.49935 hours remaining, 208.824219 MB of memory in use. ENERGY: 837000 756.0966 2104.5655 1919.6241 103.4631 -206212.5042 17887.4113 0.0000 0.0000 34114.9734 -149326.3701 297.9345 -183441.3435 -149226.6439 298.8950 3.0480 36.1653 556396.9195 -1.9379 -1.9576 PRESSURE: 837200 267.51 34.0576 -41.7441 34.0565 12.5818 -106.277 -41.7435 -106.277 303.73 GPRESSURE: 837200 299.747 35.4291 -100.618 34.2214 79.5021 -93.1281 50.074 -104.952 297.607 PRESSAVG: 837200 64.1077 -21.7734 -8.05725 -21.7734 -30.0445 -28.6935 -8.05725 -28.6936 -19.4885 GPRESSAVG: 837200 65.1962 -21.0481 -11.4981 -21.8841 -31.3859 -29.3663 -7.19717 -30.6963 -19.489 TIMING: 837200 CPU: 2494.61, 0.00298509/step Wall: 2494.61, 0.00298509/step, 3.45176 hours remaining, 208.824219 MB of memory in use. ENERGY: 837200 750.7958 2086.0525 1913.9232 105.1201 -206669.7002 18162.1083 0.0000 0.0000 34446.2325 -149205.4678 300.8275 -183651.7003 -149109.3474 299.5254 194.6072 225.6186 556545.1610 4.8582 4.7738 PRESSURE: 837400 -47.8489 62.8218 56.5349 62.8207 98.827 29.6137 56.5346 29.6153 -139.952 GPRESSURE: 837400 -9.3903 -37.6405 77.8859 78.3468 111.278 -10.9181 5.89864 76.8498 -97.7074 PRESSAVG: 837400 117.299 17.632 -6.81739 17.6321 -90.7548 -23.0815 -6.81739 -23.0815 2.51089 GPRESSAVG: 837400 118.065 19.8331 -2.49396 16.6525 -90.808 -23.0832 -8.4499 -21.3787 1.97106 TIMING: 837400 CPU: 2495.21, 0.00297307/step Wall: 2495.21, 0.00297307/step, 3.4377 hours remaining, 208.824219 MB of memory in use. ENERGY: 837400 736.2435 2075.6490 1903.5978 108.0292 -206181.5780 17824.4305 0.0000 0.0000 34275.3558 -149258.2722 299.3352 -183533.6280 -149165.9475 298.9876 -29.6579 1.3936 558033.0137 9.6849 9.7426 PRESSURE: 837600 26.5037 170.426 37.2891 170.425 -14.9123 42.0701 37.2891 42.0716 -69.44 GPRESSURE: 837600 99.5252 25.182 17.5186 155.567 23.1658 118.329 -1.19166 31.0854 -91.9978 PRESSAVG: 837600 -37.5097 -14.5979 70.5962 -14.5979 59.3227 39.0558 70.5961 39.056 -5.0223 GPRESSAVG: 837600 -38.3609 -15.0924 67.8368 -14.2455 58.478 38.6641 72.5594 38.8593 -3.75437 TIMING: 837600 CPU: 2495.8, 0.00296491/step Wall: 2495.8, 0.00296491/step, 3.42809 hours remaining, 208.824219 MB of memory in use. ENERGY: 837600 735.3913 2144.1539 1909.7924 114.9630 -206452.3764 17892.9519 0.0000 0.0000 34436.6927 -149218.4312 300.7442 -183655.1239 -149126.0445 299.2411 -19.2829 10.2311 556979.4787 5.5969 5.4542 PRESSURE: 837800 -328.658 -22.2518 -153.971 -22.2511 -13.9316 -68.7291 -153.971 -68.7295 -39.8824 GPRESSURE: 837800 -235.428 34.207 -97.3925 -59.1737 -58.3387 -17.7322 -71.974 -166.469 -5.94024 PRESSAVG: 837800 -18.1125 36.1228 -10.9721 36.1228 60.0171 71.8518 -10.9721 71.8516 -25.5538 GPRESSAVG: 837800 -18.1184 35.8974 -8.7225 36.4178 59.7408 72.8606 -10.7664 71.842 -25.4702 TIMING: 837800 CPU: 2496.39, 0.00294673/step Wall: 2496.39, 0.00294673/step, 3.40691 hours remaining, 208.824219 MB of memory in use. ENERGY: 837800 765.0354 2091.4414 1930.6095 113.5266 -205720.9925 17601.1240 0.0000 0.0000 34133.0691 -149086.1865 298.0926 -183219.2556 -148988.7354 299.2123 -127.4907 -99.9024 559231.8988 5.4503 5.3841 PRESSURE: 838000 -53.7082 48.9549 16.3437 48.9548 -293.152 -123.809 16.3441 -123.809 10.7833 GPRESSURE: 838000 -69.1971 -38.991 88.1116 145.471 -209.515 -160.681 -30.8201 -59.2722 28.3681 PRESSAVG: 838000 -19.8413 -17.615 36.5747 -17.615 -14.3784 -3.31065 36.5746 -3.31065 42.3137 GPRESSAVG: 838000 -19.1777 -18.8966 38.0369 -17.3218 -14.5718 -3.18689 33.8818 -2.31348 41.5045 TIMING: 838000 CPU: 2496.98, 0.00296286/step Wall: 2496.98, 0.00296286/step, 3.42539 hours remaining, 208.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 838000 782.8651 2092.2682 1947.6025 100.1273 -206315.6539 17760.8729 0.0000 0.0000 34375.9867 -149255.9311 300.2140 -183631.9178 -149162.8829 299.8526 -112.0257 -83.4482 558585.9370 2.6980 2.5850 PRESSURE: 838200 -83.3699 -119.357 27.0833 -119.358 -0.325158 -37.4411 27.0849 -37.4416 24.0929 GPRESSURE: 838200 -35.0271 -107.034 6.66322 -64.8839 -13.9843 -13.3081 11.3003 -39.647 91.5957 PRESSAVG: 838200 22.444 -36.5984 7.53873 -36.5985 -44.8167 -43.4697 7.53874 -43.4698 23.9566 GPRESSAVG: 838200 22.4185 -36.5378 6.76622 -36.395 -44.9321 -44.2666 9.64383 -44.1747 24.047 TIMING: 838200 CPU: 2497.57, 0.00296442/step Wall: 2497.57, 0.00296442/step, 3.42704 hours remaining, 208.824219 MB of memory in use. ENERGY: 838200 764.5694 2097.2946 1933.2365 106.3195 -206556.0728 17930.2182 0.0000 0.0000 34356.1485 -149368.2861 300.0408 -183724.4346 -149268.6859 299.7987 -19.8674 14.1948 557644.5881 0.5280 0.5111 PRESSURE: 838400 -80.8135 -78.3765 -3.67564 -78.3765 -13.308 113.879 -3.676 113.879 -193.238 GPRESSURE: 838400 -64.9029 -56.3452 30.7794 -38.7845 26.2128 124.163 19.644 158.46 -133.685 PRESSAVG: 838400 -55.7297 -36.9322 48.2782 -36.9321 10.0178 26.7365 48.2782 26.7365 25.547 GPRESSAVG: 838400 -56.5937 -34.6183 48.0003 -36.4328 11.5825 26.2165 48.1794 26.4907 24.7194 TIMING: 838400 CPU: 2498.17, 0.00296767/step Wall: 2498.17, 0.00296767/step, 3.43063 hours remaining, 208.824219 MB of memory in use. ENERGY: 838400 773.8173 2101.5940 1896.4408 97.9936 -206390.2333 17939.1706 0.0000 0.0000 34209.8121 -149371.4049 298.7628 -183581.2169 -149267.0130 298.6535 -95.7866 -57.4585 559518.8893 -6.7216 -6.7639 PRESSURE: 838600 -247.963 -15.6972 -9.8571 -15.6967 -86.5829 56.1626 -9.85746 56.1647 87.7229 GPRESSURE: 838600 -226.768 18.1246 -79.454 -63.5685 -43.0797 139.301 9.22054 51.1955 113.18 PRESSAVG: 838600 -51.1456 36.7896 0.150361 36.7896 81.524 44.922 0.150352 44.922 -17.9237 GPRESSAVG: 838600 -50.7808 36.7197 0.452262 35.2848 80.4535 44.4286 -0.337648 44.1421 -17.9591 TIMING: 838600 CPU: 2498.76, 0.00296975/step Wall: 2498.76, 0.00296975/step, 3.43286 hours remaining, 208.824219 MB of memory in use. ENERGY: 838600 751.9665 2096.0830 1918.5948 110.4982 -206185.5492 17868.0525 0.0000 0.0000 34250.0577 -149190.2963 299.1143 -183440.3541 -149092.1445 298.9861 -82.2743 -52.2223 560493.5080 4.1516 3.9045 PRESSURE: 838800 106.191 21.1626 20.628 21.1621 -274.857 -40.7239 20.6271 -40.7243 7.26762 GPRESSURE: 838800 155.781 -63.8625 -27.1479 88.9885 -250.778 -6.57725 56.8966 -141.188 36.1527 PRESSAVG: 838800 -20.349 -51.9489 -5.68973 -51.9489 -15.4943 -9.27293 -5.68977 -9.27283 1.16136 GPRESSAVG: 838800 -20.6994 -53.4008 -5.41085 -49.4232 -15.2187 -8.57972 -4.69575 -7.3556 1.22605 TIMING: 838800 CPU: 2499.35, 0.00296396/step Wall: 2499.35, 0.00296396/step, 3.42601 hours remaining, 208.824219 MB of memory in use. ENERGY: 838800 774.7007 2138.4947 1926.0785 106.4232 -206290.0674 17927.2841 0.0000 0.0000 34278.7125 -149138.3737 299.3645 -183417.0862 -149038.1980 299.7199 -53.7995 -19.6147 559970.9568 -11.5606 -11.5640 PRESSURE: 839000 -140.363 24.4683 -42.4472 24.4681 -65.8591 108.502 -42.4482 108.502 -69.4483 GPRESSURE: 839000 -107.451 -3.28898 10.1758 115.281 -46.8782 109.584 -76.0746 167.98 -24.6464 PRESSAVG: 839000 -0.4534 67.5784 49.3879 67.5784 -23.4118 7.31131 49.3879 7.31134 54.675 GPRESSAVG: 839000 -0.183658 68.0766 51.2375 66.2294 -23.7708 6.65317 48.1447 7.43054 54.8464 TIMING: 839000 CPU: 2499.94, 0.00295036/step Wall: 2499.94, 0.00295036/step, 3.41012 hours remaining, 208.824219 MB of memory in use. ENERGY: 839000 785.2503 2022.9645 1941.7519 121.4740 -206117.8665 17909.5873 0.0000 0.0000 34308.2182 -149028.6203 299.6222 -183336.8386 -148930.6208 300.2139 -91.8901 -59.6586 558665.5005 10.2699 10.2973 PRESSURE: 839200 -170.784 -1.88135 -196.385 -1.8832 -217.092 15.5995 -196.384 15.599 21.5551 GPRESSURE: 839200 -188 -22.4255 -223.146 -57.5902 -123.568 -14.3039 -158.29 -30.5073 51.0047 PRESSAVG: 839200 -0.923156 77.1284 38.7231 77.1283 -16.5919 35.4448 38.7231 35.4448 -5.40866 GPRESSAVG: 839200 -1.57217 77.0735 35.8516 76.3234 -14.3085 34.2773 39.4477 35.0917 -7.2258 TIMING: 839200 CPU: 2500.53, 0.00294252/step Wall: 2500.53, 0.00294252/step, 3.4009 hours remaining, 208.824219 MB of memory in use. ENERGY: 839200 766.8967 2062.6599 1909.7986 125.5422 -205654.2445 17495.3892 0.0000 0.0000 34137.1726 -149156.7852 298.1284 -183293.9578 -149057.1329 299.0576 -122.1067 -86.8544 557249.7989 -7.6412 -7.7021 PRESSURE: 839400 -177.852 -24.3026 -48.5867 -24.3024 25.8574 151.895 -48.5869 151.894 -271.838 GPRESSURE: 839400 -109.526 -104.679 -86.9141 -34.9753 21.6766 133.679 -50.7476 170.95 -227.822 PRESSAVG: 839400 -27.4721 -16.2612 -3.33514 -16.2612 8.32373 6.56821 -3.33515 6.5683 -12.3984 GPRESSAVG: 839400 -28.752 -17.2752 -4.5121 -15.0362 7.17012 8.53934 -1.06223 5.36551 -9.68197 TIMING: 839400 CPU: 2501.12, 0.00293544/step Wall: 2501.12, 0.00293544/step, 3.39255 hours remaining, 208.824219 MB of memory in use. ENERGY: 839400 716.4643 2078.6505 1971.8442 114.7795 -205858.8528 17479.5949 0.0000 0.0000 34103.2371 -149394.2822 297.8321 -183497.5193 -149296.7080 298.9251 -141.2775 -105.2237 558238.6007 -10.5156 -10.4213 PRESSURE: 839600 -52.0083 -101.432 -17.5215 -101.432 -215.962 165.354 -17.5203 165.354 23.649 GPRESSURE: 839600 -12.5816 -86.7993 -38.6203 -138.018 -177.882 221.614 53.8208 187.528 37.2097 PRESSAVG: 839600 -7.43874 5.37588 -3.41008 5.3758 12.1052 57.0213 -3.41004 57.0212 17.3127 GPRESSAVG: 839600 -6.15117 5.53038 -1.9896 2.19459 11.2394 57.4787 -4.56767 57.8441 16.717 TIMING: 839600 CPU: 2501.72, 0.00298505/step Wall: 2501.72, 0.00298505/step, 3.44972 hours remaining, 208.824219 MB of memory in use. ENERGY: 839600 777.6891 2126.6559 1930.5188 115.4353 -206493.3937 17740.3219 0.0000 0.0000 34520.2975 -149282.4752 301.4743 -183802.7727 -149191.9942 299.5379 -81.4406 -51.0848 556595.9407 7.3264 7.2684 PRESSURE: 839800 -5.01518 -85.3086 58.9399 -85.3077 75.8021 145.452 58.9395 145.45 -141.422 GPRESSURE: 839800 79.1134 -64.774 29.3871 -116.636 75.4726 213.546 120.502 146.901 -132.791 PRESSAVG: 839800 -13.8855 -15.8113 -47.1535 -15.8113 6.08237 73.6323 -47.1535 73.6322 2.34265 GPRESSAVG: 839800 -12.8317 -16.0402 -46.5589 -12.3067 6.62382 71.9098 -46.1825 72.4699 0.608333 TIMING: 839800 CPU: 2502.31, 0.00298237/step Wall: 2502.31, 0.00298237/step, 3.44646 hours remaining, 208.824219 MB of memory in use. ENERGY: 839800 780.6933 2139.9963 1917.3435 108.9318 -206493.3108 17853.9268 0.0000 0.0000 34403.1118 -149289.3074 300.4509 -183692.4192 -149196.0605 300.1682 -23.5450 7.2649 556774.6575 -1.8201 -1.8665 PRESSURE: 840000 268.735 127.938 -41.6495 127.938 -106.066 150.098 -41.6501 150.096 -109.312 GPRESSURE: 840000 276.709 137.808 28.8028 122.979 -62.3336 222.991 -51.2818 58.1627 -70.76 PRESSAVG: 840000 -17.2756 30.9521 -5.62014 30.9521 2.75376 60.5056 -5.62015 60.5055 17.4314 GPRESSAVG: 840000 -18.6882 29.4046 -5.74301 32.8655 3.46154 62.9398 -7.53262 60.4031 18.0434 TIMING: 840000 CPU: 2502.91, 0.00298646/step Wall: 2502.91, 0.00298646/step, 3.45103 hours remaining, 208.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 840000 763.8382 2078.7922 1927.8432 117.2778 -206478.3166 17809.5289 0.0000 0.0000 34341.8119 -149439.2244 299.9156 -183781.0364 -149340.1785 299.6307 17.7855 47.8717 556654.7490 0.9699 0.9389 PRESSURE: 840200 -0.745523 -21.635 4.11483 -21.6344 43.9197 78.4654 4.11472 78.4656 76.3646 GPRESSURE: 840200 25.8208 -10.0697 -33.9962 -72.3331 43.2393 114.715 -3.58232 26.0737 146.437 PRESSAVG: 840200 129.309 -20.4098 10.7374 -20.4098 -56.1697 -5.57493 10.7373 -5.57499 -65.0386 GPRESSAVG: 840200 130.539 -18.6054 9.2129 -23.0559 -57.4393 -8.00374 11.9367 -3.67982 -65.1334 TIMING: 840200 CPU: 2503.51, 0.00298311/step Wall: 2503.51, 0.00298311/step, 3.44698 hours remaining, 208.824219 MB of memory in use. ENERGY: 840200 731.3355 2049.5174 1936.3979 114.9579 -206522.1608 18048.9886 0.0000 0.0000 34251.3636 -149389.6000 299.1257 -183640.9635 -149292.6459 298.8095 39.8463 71.8322 558231.5679 2.7003 2.6554 LDB: ============= START OF LOAD BALANCING ============== 2507.06 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2507.06 LDB: =============== DONE WITH MIGRATION ================ 2507.06 LDB: ============= START OF LOAD BALANCING ============== 2507.36 LDB: Largest compute 4796 load 0.027127 is 23.0% of average load 0.118178 LDB: Average compute 0.001722 is 1.5% of average load 0.118178 LDB: TIME 2507.36 LOAD: AVG 0.118178 MAX 0.208332 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.789 MB LDB: TIME 2507.36 LOAD: AVG 0.118178 MAX 0.208332 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.793 MB LDB: TIME 2507.36 LOAD: AVG 0.118178 MAX 0.208332 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.793 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2507.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2507.37 PRESSURE: 840400 -131.435 -45.2167 109.572 -45.2177 -95.1661 -31.5631 109.572 -31.5625 -55.4184 GPRESSURE: 840400 -87.1975 -73.6508 190.533 -87.0904 -3.46241 25.949 103.688 31.3877 -79.1564 PRESSAVG: 840400 31.0023 -56.3078 41.5766 -56.3078 47.786 35.7986 41.5766 35.7985 -32.8191 GPRESSAVG: 840400 30.6758 -56.0473 41.4993 -58.1312 49.1494 36.2011 40.254 33.9998 -32.8631 TIMING: 840400 CPU: 2504.12, 0.003063/step Wall: 2504.12, 0.003063/step, 3.53913 hours remaining, 207.531250 MB of memory in use. ENERGY: 840400 766.9904 2053.4157 1921.7169 111.5509 -206289.6144 17695.6891 0.0000 0.0000 34167.0644 -149573.1869 298.3895 -183740.2513 -149473.4550 297.8942 -94.0065 -56.6054 556924.2271 15.3231 15.6541 PRESSURE: 840600 95.4626 -99.3466 -94.4133 -99.3473 -9.95893 146.445 -94.4117 146.445 -138.814 GPRESSURE: 840600 97.4941 -183.926 -169.081 -96.9786 24.5532 209.101 -44.2234 141.565 -77.4113 PRESSAVG: 840600 61.2929 -17.0186 16.1723 -17.0186 -39.0363 48.0841 16.1722 48.084 -13.9405 GPRESSAVG: 840600 61.0648 -17.0492 16.7201 -13.851 -40.1497 49.7116 16.4348 49.8821 -13.2191 TIMING: 840600 CPU: 2504.71, 0.00296697/step Wall: 2504.71, 0.00296697/step, 3.42801 hours remaining, 207.531250 MB of memory in use. ENERGY: 840600 771.0090 2073.5325 1908.6239 110.3126 -206387.8991 17940.0422 0.0000 0.0000 34109.4009 -149474.9781 297.8859 -183584.3790 -149382.5147 298.3082 -17.7702 14.8787 559031.5052 2.7720 2.5653 PRESSURE: 840800 -32.6349 11.4382 36.0921 11.4393 57.4698 67.8444 36.091 67.8463 -204.191 GPRESSURE: 840800 7.04928 66.3828 19.0941 60.3706 97.9613 132.374 91.8366 78.4805 -190.378 PRESSAVG: 840800 -25.242 3.25902 5.61668 3.25902 -18.4042 64.5424 5.61654 64.5425 22.8986 GPRESSAVG: 840800 -24.4011 3.38263 5.426 2.57917 -18.6468 64.1723 8.41624 62.8716 22.0635 TIMING: 840800 CPU: 2505.3, 0.00296319/step Wall: 2505.3, 0.00296319/step, 3.42348 hours remaining, 207.531250 MB of memory in use. ENERGY: 840800 744.4017 2072.1491 1917.9943 121.1704 -206506.6293 17941.0919 0.0000 0.0000 34132.9075 -149576.9144 298.0912 -183709.8219 -149486.5383 297.9891 -59.7855 -28.4557 558546.4827 -6.9158 -6.9948 PRESSURE: 841000 -138.103 -11.1272 -122.96 -11.1275 55.7809 110.486 -122.959 110.486 24.9687 GPRESSURE: 841000 -101.725 -9.98953 -112.608 53.5344 114.659 98.3419 -200.055 63.4389 34.5595 PRESSAVG: 841000 -12.1375 38.0991 -18.0663 38.099 -25.9675 52.1988 -18.0664 52.1989 -11.347 GPRESSAVG: 841000 -13.9797 37.7252 -18.5054 37.2341 -25.6301 50.6332 -18.9458 52.9264 -10.2128 TIMING: 841000 CPU: 2505.91, 0.00301015/step Wall: 2505.91, 0.00301015/step, 3.47756 hours remaining, 207.531250 MB of memory in use. ENERGY: 841000 717.9474 2065.9827 1928.3640 127.7552 -206651.4818 17979.8154 0.0000 0.0000 34271.2906 -149560.3265 299.2997 -183831.6171 -149456.5325 297.7687 -19.1177 15.8310 558374.6330 -16.4840 -16.6076 PRESSURE: 841200 -88.1705 -27.057 32.837 -27.0568 -6.02767 199.049 32.8372 199.048 -146.295 GPRESSURE: 841200 -71.2193 -106.752 -13.5524 12.728 6.75071 206.111 60.533 209.772 -86.4394 PRESSAVG: 841200 -56.6847 -14.0497 17.6339 -14.0497 57.5524 13.3525 17.634 13.3524 -5.92655 GPRESSAVG: 841200 -55.9111 -12.7121 17.6697 -15.2211 58.2007 14.7286 16.6824 12.2824 -7.40609 TIMING: 841200 CPU: 2506.5, 0.00298186/step Wall: 2506.5, 0.00298186/step, 3.44471 hours remaining, 207.531250 MB of memory in use. ENERGY: 841200 730.5944 2075.5926 1916.0317 121.5442 -206311.0432 17834.6527 0.0000 0.0000 33883.5611 -149749.0665 295.9136 -183632.6276 -149660.6098 297.8086 -80.1644 -50.3027 558934.4887 -1.6863 -1.7055 PRESSURE: 841400 -41.3509 40.6215 138.834 40.6211 232.024 199.898 138.834 199.897 284.208 GPRESSURE: 841400 11.1604 9.88026 104.75 98.0136 254.651 240.787 161.338 161.499 309.476 PRESSAVG: 841400 -44.1741 8.50386 43.8457 8.50383 39.1558 18.3228 43.8457 18.3228 -8.94411 GPRESSAVG: 841400 -44.5594 5.68841 44.1916 11.327 37.9636 20.724 44.4205 17.6388 -7.81299 TIMING: 841400 CPU: 2507.1, 0.0029882/step Wall: 2507.1, 0.0029882/step, 3.45187 hours remaining, 207.531250 MB of memory in use. ENERGY: 841400 701.3721 2078.5703 1934.3748 109.3685 -206933.7672 18157.4324 0.0000 0.0000 34289.5072 -149663.1419 299.4588 -183952.6491 -149568.2555 297.8677 158.2935 191.7626 559345.5638 -4.6541 -4.8029 PRESSURE: 841600 -252.08 -15.9216 -29.6899 -15.9214 -29.9601 -51.0146 -29.6909 -51.0138 296.475 GPRESSURE: 841600 -249.06 -15.2218 -83.0274 71.0302 -7.70078 -53.6734 -20.0974 -85.5854 364.595 PRESSAVG: 841600 -50.5573 -10.8957 7.68086 -10.8958 -27.2107 42.4562 7.6808 42.4562 77.8107 GPRESSAVG: 841600 -50.0849 -9.89488 6.90171 -12.3988 -27.1223 38.7292 7.43957 45.1331 77.3248 TIMING: 841600 CPU: 2507.69, 0.00296534/step Wall: 2507.69, 0.00296534/step, 3.4253 hours remaining, 207.531250 MB of memory in use. ENERGY: 841600 728.0467 2074.9508 1928.3391 107.5929 -206762.4346 18091.6288 0.0000 0.0000 34139.2019 -149692.6745 298.1461 -183831.8764 -149598.0920 298.1420 4.8116 35.9446 557507.2527 0.0142 0.0392 PRESSURE: 841800 -97.2437 33.3116 -118.789 33.3116 122.867 74.1557 -118.788 74.156 -16.8814 GPRESSURE: 841800 -92.0231 -20.4774 -33.5877 141.791 164.605 82.5206 -220.378 26.0653 31.8188 PRESSAVG: 841800 -51.5452 9.37925 5.79293 9.37923 25.1035 10.0735 5.79301 10.0734 61.9304 GPRESSAVG: 841800 -52.1135 8.63845 8.55055 8.3503 26.7964 11.4977 4.08462 10.166 60.7735 TIMING: 841800 CPU: 2508.29, 0.0029941/step Wall: 2508.29, 0.0029941/step, 3.45836 hours remaining, 207.531250 MB of memory in use. ENERGY: 841800 761.4715 2094.8738 1938.1350 104.6358 -206779.4948 17880.7373 0.0000 0.0000 34035.8741 -149963.7673 297.2438 -183999.6414 -149871.6160 297.1294 2.9140 34.8002 556710.6378 11.8296 11.8188 PRESSURE: 842000 -109.808 40.93 95.9879 40.9308 76.056 -38.2929 95.988 -38.293 -11.7343 GPRESSURE: 842000 -40.2824 62.9971 115.795 38.7483 103.404 47.769 161.682 -86.825 -16.7537 PRESSAVG: 842000 -34.4166 -11.085 -4.13269 -11.085 29.887 -10.683 -4.13261 -10.6828 2.65006 GPRESSAVG: 842000 -35.2349 -10.9554 -5.51057 -9.8881 29.174 -9.6133 -3.57885 -13.2501 4.29228 TIMING: 842000 CPU: 2508.89, 0.00298345/step Wall: 2508.89, 0.00298345/step, 3.44588 hours remaining, 207.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 842000 765.1321 2057.7905 1903.9943 111.7929 -206549.8888 17777.4437 0.0000 0.0000 34032.3422 -149901.3931 297.2129 -183933.7353 -149807.2871 297.5948 -15.1620 15.4558 555115.7587 -0.6265 -0.5895 PRESSURE: 842200 -45.1176 134.563 -46.9598 134.562 -198.657 -81.1939 -46.9597 -81.1934 -102.768 GPRESSURE: 842200 25.6589 21.2504 65.7458 73.8567 -182.703 -108.241 -57.19 -45.8126 -103.81 PRESSAVG: 842200 58.8406 13.8485 9.30092 13.8485 -50.1147 -6.12225 9.30089 -6.12218 -43.6422 GPRESSAVG: 842200 59.9353 13.7782 7.7856 13.7068 -50.7531 -7.73731 10.807 -6.33972 -44.4924 TIMING: 842200 CPU: 2509.48, 0.00294375/step Wall: 2509.48, 0.00294375/step, 3.39987 hours remaining, 207.531250 MB of memory in use. ENERGY: 842200 758.4265 2046.5316 1916.7736 121.8178 -206637.0517 17779.1188 0.0000 0.0000 33961.0282 -150053.3552 296.5901 -184014.3834 -149954.5445 297.0684 -115.5140 -86.9513 557130.7922 -11.6388 -11.7700 PRESSURE: 842400 119.101 7.93536 -71.2905 7.93501 -6.02449 -49.9195 -71.2906 -49.9187 -43.1808 GPRESSURE: 842400 168.143 164.569 -39.8238 -47.2305 35.4742 -100.696 -91.8038 -19.7788 -29.197 PRESSAVG: 842400 89.0471 -15.1621 7.90145 -15.1621 -17.3394 -4.90522 7.90149 -4.90528 -83.0963 GPRESSAVG: 842400 89.3635 -13.5902 8.75153 -16.1403 -17.8135 -2.88347 7.65435 -5.58116 -82.811 TIMING: 842400 CPU: 2510.07, 0.00295661/step Wall: 2510.07, 0.00295661/step, 3.41455 hours remaining, 207.531250 MB of memory in use. ENERGY: 842400 717.7301 2093.2130 1899.8253 119.5688 -206770.0569 17822.0970 0.0000 0.0000 34063.6144 -150054.0084 297.4860 -184117.6227 -149960.4354 296.6182 23.2985 58.1400 555696.7254 -3.7962 -3.7537 PRESSURE: 842600 -57.8098 -135.207 -113.685 -135.208 -245.84 -52.1757 -113.684 -52.1765 -259.231 GPRESSURE: 842600 -69.1195 -103.273 -223.122 -201.76 -151.888 -38.6628 -31.6835 -3.93121 -245.356 PRESSAVG: 842600 90.5085 -36.3227 -54.7895 -36.3228 -44.46 7.41668 -54.7894 7.41672 -52.3273 GPRESSAVG: 842600 90.7691 -36.4371 -54.7471 -35.7522 -43.7196 5.83565 -53.2759 9.9374 -53.7097 TIMING: 842600 CPU: 2510.66, 0.00296348/step Wall: 2510.66, 0.00296348/step, 3.42233 hours remaining, 207.531250 MB of memory in use. ENERGY: 842600 795.0846 2094.2728 1924.5117 104.3131 -206452.6309 17805.3423 0.0000 0.0000 33976.6953 -149752.4111 296.7269 -183729.1064 -149656.4663 297.6790 -187.6270 -155.4545 557919.8368 -2.0929 -2.2201 PRESSURE: 842800 -13.4735 -24.7696 177.072 -24.7692 125.172 -77.0032 177.072 -77.004 -146.267 GPRESSURE: 842800 50.324 -120.705 178.998 -14.135 107.513 -77.9256 107.79 -110.23 -91.5756 PRESSAVG: 842800 -11.1011 -24.3193 32.7471 -24.3194 97.1132 -4.02844 32.747 -4.02843 -76.1701 GPRESSAVG: 842800 -11.9799 -24.2317 35.0787 -24.0204 95.864 -3.62914 29.0052 -4.78406 -74.3687 TIMING: 842800 CPU: 2511.25, 0.00296368/step Wall: 2511.25, 0.00296368/step, 3.4224 hours remaining, 207.531250 MB of memory in use. ENERGY: 842800 725.3978 2103.9667 1922.3550 110.3523 -206829.3084 18017.6843 0.0000 0.0000 34159.9413 -149789.6110 298.3273 -183949.5523 -149694.5613 298.1873 -11.5229 22.0870 557113.2349 3.2807 3.1718 PRESSURE: 843000 -78.2088 57.8079 -18.4237 57.8067 -176.337 -35.3393 -18.4239 -35.3396 183.162 GPRESSURE: 843000 -112.603 30.547 -69.5815 134.851 -98.6744 -60.3939 -36.9776 -23.967 248.606 PRESSAVG: 843000 20.7934 24.3689 19.7266 24.3689 23.2495 -9.69937 19.7266 -9.6993 -27.8852 GPRESSAVG: 843000 21.7774 21.566 14.6702 24.4761 23.3246 -11.5312 24.0371 -9.05856 -28.6254 TIMING: 843000 CPU: 2511.85, 0.00299682/step Wall: 2511.85, 0.00299682/step, 3.4605 hours remaining, 207.531250 MB of memory in use. ENERGY: 843000 714.8978 2072.8295 1922.2529 110.7764 -206653.3704 17941.2983 0.0000 0.0000 34222.1238 -149669.1917 298.8703 -183891.3155 -149578.1326 297.7980 -23.7948 12.4429 558477.1827 5.3859 5.4922 PRESSURE: 843200 75.645 -58.4454 79.4249 -58.4469 137.798 36.7719 79.4255 36.7731 100.931 GPRESSURE: 843200 153.324 -80.4357 113.552 -17.0452 144.028 41.9934 -15.9797 98.5198 106.935 PRESSAVG: 843200 43.336 20.7029 39.8727 20.7029 5.32552 31.6136 39.8727 31.6137 -56.7571 GPRESSAVG: 843200 42.8684 21.2832 43.0318 21.5362 6.06952 32.0521 37.5797 30.8651 -56.7548 TIMING: 843200 CPU: 2512.45, 0.00299854/step Wall: 2512.45, 0.00299854/step, 3.46232 hours remaining, 207.531250 MB of memory in use. ENERGY: 843200 749.9183 2059.6520 1925.1684 108.6733 -206848.3801 18129.6269 0.0000 0.0000 34130.0328 -149745.3085 298.0661 -183875.3413 -149646.1322 297.7343 104.7915 134.7625 556861.5987 -2.6985 -2.6056 PRESSURE: 843400 -217.509 -104.739 -132.586 -104.739 -94.0282 64.5104 -132.587 64.5114 98.3494 GPRESSURE: 843400 -188.951 -15.0511 -124.785 -59.2119 -21.2602 73.7079 -104.638 102.066 93.0871 PRESSAVG: 843400 -17.7843 66.2363 -40.7089 66.2364 -87.9081 4.13177 -40.709 4.13185 89.4394 GPRESSAVG: 843400 -16.4859 65.6762 -41.2219 66.1879 -88.5327 5.36289 -41.2379 4.80282 88.728 TIMING: 843400 CPU: 2513.05, 0.00296409/step Wall: 2513.05, 0.00296409/step, 3.42237 hours remaining, 207.531250 MB of memory in use. ENERGY: 843400 722.1464 2087.0310 1935.5779 108.7521 -206490.6433 17905.1723 0.0000 0.0000 33987.0065 -149744.9571 296.8170 -183731.9637 -149649.9073 297.0911 -71.0625 -39.0413 557779.0027 -5.4177 -5.4302 PRESSURE: 843600 322.411 50.1323 -90.0129 50.1325 -41.5114 45.4378 -90.012 45.4361 -72.6433 GPRESSURE: 843600 381.723 73.7401 -39.7911 4.40072 -54.5923 22.4044 -100.841 58.4872 -25.3989 PRESSAVG: 843600 17.1176 1.3421 51.0927 1.34214 -32.9573 11.9486 51.0927 11.9486 24.2574 GPRESSAVG: 843600 15.7999 4.0814 51.4461 1.49761 -32.404 10.9954 52.8961 12.1989 25.1821 TIMING: 843600 CPU: 2513.64, 0.00297737/step Wall: 2513.64, 0.00297737/step, 3.43754 hours remaining, 207.531250 MB of memory in use. ENERGY: 843600 725.7750 2117.8308 1930.5439 112.5344 -206707.9981 17990.9762 0.0000 0.0000 33976.1334 -149854.2044 296.7220 -183830.3378 -149762.3560 297.6485 69.4188 100.5772 557167.3420 2.8059 2.8593 PRESSURE: 843800 -71.0005 37.4082 7.60932 37.409 38.9954 58.365 7.60865 58.3669 -176.528 GPRESSURE: 843800 -55.8288 3.17752 16.1462 30.8329 74.2296 41.0528 78.216 13.9656 -137.731 PRESSAVG: 843800 5.25874 -34.1273 -16.6992 -34.1273 27.0952 -7.39969 -16.6992 -7.39967 -48.9054 GPRESSAVG: 843800 5.75584 -34.9775 -17.2164 -37.041 26.9679 -7.64093 -18.3037 -8.28023 -49.1994 TIMING: 843800 CPU: 2514.24, 0.00297983/step Wall: 2514.24, 0.00297983/step, 3.44022 hours remaining, 207.531250 MB of memory in use. ENERGY: 843800 757.5713 2060.3225 1933.5033 106.7619 -206544.9709 17879.3871 0.0000 0.0000 34146.8028 -149660.6219 298.2125 -183807.4247 -149565.7321 298.2231 -69.5109 -39.7767 556482.1207 -5.5172 -5.4919 PRESSURE: 844000 246.86 -28.0543 11.9001 -28.0547 30.5814 59.4241 11.9006 59.4236 170.616 GPRESSURE: 844000 319.213 81.6178 -45.8286 -87.5674 57.4356 178.773 56.1535 71.7209 175.731 PRESSAVG: 844000 -12.3393 -51.7125 -7.60499 -51.7125 81.523 -6.52323 -7.60495 -6.52331 -62.8207 GPRESSAVG: 844000 -11.818 -52.9702 -7.87764 -50.578 81.9774 -5.66806 -6.45126 -5.0585 -63.5157 TIMING: 844000 CPU: 2514.84, 0.00298907/step Wall: 2514.84, 0.00298907/step, 3.45071 hours remaining, 207.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 844000 723.4729 2085.6371 1921.4453 127.6385 -206472.6615 18064.9676 0.0000 0.0000 34016.8563 -149532.6438 297.0777 -183549.5000 -149436.0787 298.4869 149.3526 184.1265 557144.6559 2.1210 2.2146 PRESSURE: 844200 127.067 -104.769 -237.727 -104.77 -143.821 -62.0051 -237.727 -62.0055 -248.128 GPRESSURE: 844200 95.2664 -86.9086 -211.167 -134.358 -84.4315 -106.85 -234.544 -53.6391 -176.749 PRESSAVG: 844200 57.5488 17.1745 -10.0862 17.1744 -37.9972 -4.33675 -10.0862 -4.33671 4.01988 GPRESSAVG: 844200 57.0905 18.7821 -10.9946 15.7026 -38.0203 -3.67285 -11.6972 -4.93067 4.65322 TIMING: 844200 CPU: 2515.43, 0.00299096/step Wall: 2515.43, 0.00299096/step, 3.45273 hours remaining, 207.531250 MB of memory in use. ENERGY: 844200 760.4781 2044.0236 1963.1711 113.3396 -206482.9371 17801.1505 0.0000 0.0000 34302.2515 -149498.5228 299.5701 -183800.7742 -149399.6205 298.6406 -88.2940 -55.3047 556660.4877 7.8572 7.9078 LDB: ============= START OF LOAD BALANCING ============== 2518.98 LDB: ============== END OF LOAD BALANCING =============== 2518.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2518.99 LDB: ============= START OF LOAD BALANCING ============== 2519.29 LDB: Largest compute 4796 load 0.028777 is 24.3% of average load 0.118239 LDB: Average compute 0.001724 is 1.5% of average load 0.118239 LDB: TIME 2519.29 LOAD: AVG 0.118239 MAX 0.209234 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.703 MB LDB: TIME 2519.29 LOAD: AVG 0.118239 MAX 0.209234 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: TIME 2519.29 LOAD: AVG 0.118239 MAX 0.209234 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2519.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2519.29 PRESSURE: 844400 -81.1107 -35.4801 -49.5912 -35.4806 97.7503 -118.937 -49.5923 -118.936 78.0689 GPRESSURE: 844400 29.0706 19.8114 -23.3867 10.9312 61.6981 -67.6288 -53.4959 -162.471 93.4391 PRESSAVG: 844400 63.6581 -15.3503 5.52984 -15.3503 -1.79433 -49.2904 5.5299 -49.2904 -75.6473 GPRESSAVG: 844400 62.9762 -16.6926 8.21647 -14.1552 -0.915881 -50.5321 5.75426 -48.6422 -75.7202 TIMING: 844400 CPU: 2516.04, 0.00305285/step Wall: 2516.04, 0.00305285/step, 3.52401 hours remaining, 207.726562 MB of memory in use. ENERGY: 844400 733.9295 2130.4027 1912.0255 104.6810 -206375.3968 17975.7348 0.0000 0.0000 34053.9298 -149464.6934 297.4014 -183518.6232 -149373.0806 298.4791 31.5695 61.4026 557515.1557 -4.5945 -4.5533 PRESSURE: 844600 43.629 -25.9686 36.1336 -25.9693 -122.137 -45.4558 36.1328 -45.4534 -155.174 GPRESSURE: 844600 58.5123 -124.312 71.0437 66.4954 -57.2132 -90.3877 74.2282 -29.3274 -153.025 PRESSAVG: 844600 -3.78153 -59.0131 20.9274 -59.0132 10.0355 17.0046 20.9274 17.0045 -21.6535 GPRESSAVG: 844600 -3.85534 -59.5127 20.2611 -57.4053 9.80642 18.5033 20.5733 15.9655 -21.6561 TIMING: 844600 CPU: 2516.64, 0.00299572/step Wall: 2516.64, 0.00299572/step, 3.45789 hours remaining, 207.929688 MB of memory in use. ENERGY: 844600 724.4099 2049.7831 1962.4853 115.5899 -206342.5664 17801.9488 0.0000 0.0000 34142.9516 -149545.3979 298.1789 -183688.3495 -149441.4926 298.4248 -77.8940 -50.5752 557671.2300 -5.1332 -5.2350 PRESSURE: 844800 270.852 -35.6339 -39.4248 -35.6344 -16.0658 3.05928 -39.4245 3.06007 -81.9578 GPRESSURE: 844800 292.015 -12.1318 13.1787 -124.414 -9.30603 7.55316 -64.8494 65.8106 -9.05807 PRESSAVG: 844800 36.5815 27.2045 -71.5824 27.2045 34.3269 4.38753 -71.5824 4.38763 -39.7328 GPRESSAVG: 844800 36.0948 28.3812 -72.1801 25.0156 33.5712 3.96409 -72.5435 2.9846 -38.782 TIMING: 844800 CPU: 2517.24, 0.00298308/step Wall: 2517.24, 0.00298308/step, 3.44313 hours remaining, 207.929688 MB of memory in use. ENERGY: 844800 733.4187 2099.4878 1936.9108 112.1969 -206558.8224 17955.9080 0.0000 0.0000 34118.4043 -149602.4960 297.9645 -183720.9002 -149507.2712 298.2190 57.6095 91.2170 557433.4735 10.3919 10.2947 PRESSURE: 845000 181.457 -91.5755 -112.466 -91.575 -237.976 91.8374 -112.465 91.8367 101.914 GPRESSURE: 845000 162.173 -148.724 -81.78 -34.0099 -173.064 137.825 -153.702 40.9906 144.296 PRESSAVG: 845000 26.772 -10.316 -1.19671 -10.3161 -16.7129 31.0415 -1.1968 31.0414 23.9918 GPRESSAVG: 845000 26.3387 -9.90696 -2.41292 -9.30834 -16.5213 31.8373 0.774252 30.7354 23.9803 TIMING: 845000 CPU: 2517.83, 0.00296174/step Wall: 2517.83, 0.00296174/step, 3.41834 hours remaining, 207.929688 MB of memory in use. ENERGY: 845000 760.1912 2104.1231 1939.4458 112.6890 -206542.6707 17999.0333 0.0000 0.0000 34206.1780 -149421.0102 298.7311 -183627.1882 -149323.4977 298.2195 15.1318 44.4682 557908.9166 11.3503 11.2659 PRESSURE: 845200 -43.7072 -317.008 111.088 -317.009 -176.246 98.8405 111.087 98.84 75.5235 GPRESSURE: 845200 20.6635 -277.61 58.3402 -293.541 -144.704 120.82 151.519 33.9803 75.0553 PRESSAVG: 845200 8.36205 30.0753 44.5861 30.0753 23.126 55.2646 44.5861 55.2645 4.37247 GPRESSAVG: 845200 9.10019 30.2262 46.5236 29.7267 20.4213 54.2999 42.8086 54.7115 5.91827 TIMING: 845200 CPU: 2518.43, 0.00296842/step Wall: 2518.43, 0.00296842/step, 3.42589 hours remaining, 207.929688 MB of memory in use. ENERGY: 845200 738.4099 2134.6016 1953.9186 106.4722 -206146.4080 17721.4991 0.0000 0.0000 34262.5528 -149228.9538 299.2234 -183491.5066 -149127.7288 299.2893 -48.1431 -16.3285 559478.0278 11.9535 11.8133 PRESSURE: 845400 -116.874 82.5793 118.525 82.5777 -171.941 180.994 118.524 180.995 121.372 GPRESSURE: 845400 -26.5803 81.342 66.9044 122.229 -184.037 170.231 138.273 250.747 135.593 PRESSAVG: 845400 -56.9024 -4.2546 28.5863 -4.25466 -6.71229 -22.1411 28.5863 -22.1412 43.5385 GPRESSAVG: 845400 -57.7374 -5.44495 27.3967 -2.62676 -4.35446 -22.6175 29.4154 -20.0986 41.6867 TIMING: 845400 CPU: 2519.02, 0.00298501/step Wall: 2519.02, 0.00298501/step, 3.44486 hours remaining, 207.929688 MB of memory in use. ENERGY: 845400 748.7775 2007.6537 1950.9547 115.3036 -206225.2208 17894.0537 0.0000 0.0000 34218.9559 -149289.5217 298.8427 -183508.4776 -149195.7433 299.3844 -55.8144 -25.0081 557509.6114 -6.6921 -6.8017 PRESSURE: 845600 -115.914 181.204 61.7922 181.203 98.4115 24.8358 61.7921 24.8353 -101.747 GPRESSURE: 845600 -102.269 53.0977 27.2187 183.206 148.273 45.0504 133.199 30.2946 -75.5749 PRESSAVG: 845600 -1.4572 -0.72993 45.1354 -0.729872 -3.13298 15.9936 45.1353 15.9936 6.68612 GPRESSAVG: 845600 -1.83904 1.0831 45.0019 -2.10562 -4.1664 16.4027 44.5947 15.9137 8.29687 TIMING: 845600 CPU: 2519.62, 0.003005/step Wall: 2519.62, 0.003005/step, 3.46776 hours remaining, 207.929688 MB of memory in use. ENERGY: 845600 728.9337 2041.2718 1916.5120 115.4744 -206250.4530 17819.5511 0.0000 0.0000 34429.8808 -149198.8292 300.6847 -183628.7100 -149108.3210 299.2358 -39.7498 -9.8571 557704.1304 0.6986 0.7638 PRESSURE: 845800 6.47492 57.5117 -12.7907 57.5117 -81.6014 -41.9666 -12.7906 -41.9658 257.779 GPRESSURE: 845800 83.8842 -15.6481 -69.194 61.9789 -60.8211 34.0328 34.1912 -50.1406 249.386 PRESSAVG: 845800 33.3227 -14.4951 31.5968 -14.4951 -65.3344 -47.9698 31.5968 -47.9699 -1.13116 GPRESSAVG: 845800 33.6045 -14.4022 32.5488 -14.9784 -64.8221 -47.1284 30.8795 -48.8008 -1.79593 TIMING: 845800 CPU: 2520.22, 0.00297638/step Wall: 2520.22, 0.00297638/step, 3.43457 hours remaining, 207.929688 MB of memory in use. ENERGY: 845800 741.6306 2093.1801 1913.5834 111.8880 -206084.8561 17925.5427 0.0000 0.0000 34259.9060 -149039.1253 299.2003 -183299.0313 -148945.4450 299.4110 60.8840 90.8165 557201.6709 -11.0476 -11.0045 PRESSURE: 846000 -91.1011 -25.3004 13.6307 -25.2995 -267.38 174.022 13.63 174.022 -161.769 GPRESSURE: 846000 -94.3055 -86.7375 -63.3155 -4.52345 -217.679 157.42 45.3152 157.339 -99.2028 PRESSAVG: 846000 40.9277 -17.6705 58.7835 -17.6705 -45.1128 -17.724 58.7836 -17.724 51.1266 GPRESSAVG: 846000 40.9526 -19.3682 60.6691 -16.9916 -44.5643 -18.3806 58.4877 -18.2395 50.4825 TIMING: 846000 CPU: 2520.81, 0.00296809/step Wall: 2520.81, 0.00296809/step, 3.42484 hours remaining, 207.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 846000 755.9162 2054.5210 1933.0386 113.5607 -205938.6101 17502.7870 0.0000 0.0000 34396.6286 -149182.1579 300.3943 -183578.7865 -149077.3905 299.6908 -173.4168 -137.0625 558171.9056 15.6472 15.6236 PRESSURE: 846200 -218.6 70.468 -44.0869 70.469 83.8673 46.1359 -44.0864 46.1353 117.869 GPRESSURE: 846200 -203.525 23.7809 -62.5065 159.406 142.618 56.1541 -79.1328 3.5687 132.28 PRESSAVG: 846200 -7.16093 43.0633 -5.66888 43.0633 -74.8349 28.9537 -5.66893 28.9537 96.6777 GPRESSAVG: 846200 -8.30241 43.5638 -9.02757 44.7643 -74.2536 29.6575 -4.42574 29.0088 96.4624 TIMING: 846200 CPU: 2521.41, 0.00296939/step Wall: 2521.41, 0.00296939/step, 3.42618 hours remaining, 207.929688 MB of memory in use. ENERGY: 846200 763.1275 2047.3419 1946.3794 104.6810 -206296.5974 17902.3502 0.0000 0.0000 34303.6340 -149229.0833 299.5822 -183532.7174 -149132.8747 299.0706 -5.6213 23.7912 557655.1381 4.8940 4.6355 PRESSURE: 846400 -222.08 -17.0684 68.4377 -17.0686 26.5607 -20.6287 68.4363 -20.6284 184.172 GPRESSURE: 846400 -159.663 -44.8713 66.7955 -6.68442 36.4306 -40.8283 83.0145 48.9684 191.152 PRESSAVG: 846400 -59.5385 -20.2882 7.23322 -20.2881 15.2538 -22.7853 7.23318 -22.7854 19.0888 GPRESSAVG: 846400 -58.9781 -20.882 7.55873 -23.2625 13.9871 -24.0857 7.29132 -20.2643 18.8976 TIMING: 846400 CPU: 2522.01, 0.00299029/step Wall: 2522.01, 0.00299029/step, 3.45014 hours remaining, 207.929688 MB of memory in use. ENERGY: 846400 759.2383 2082.0012 1935.0613 114.7565 -206260.2309 18013.6609 0.0000 0.0000 34109.6428 -149245.8699 297.8880 -183355.5127 -149150.7995 299.6184 -3.7825 22.6396 559371.5230 -8.3986 -8.6978 PRESSURE: 846600 -135.826 -46.2027 107.192 -46.2022 -147.896 54.3983 107.192 54.3982 -125.087 GPRESSURE: 846600 -64.9781 -114.785 75.9911 -26.6102 -108.363 29.6366 67.9051 -9.59024 -132.245 PRESSAVG: 846600 -24.4489 -29.753 -34.2068 -29.753 31.3885 -28.6452 -34.2068 -28.6452 32.5352 GPRESSAVG: 846600 -24.7039 -30.1587 -34.3637 -29.3741 30.8295 -27.095 -35.4711 -30.0933 32.6564 TIMING: 846600 CPU: 2522.6, 0.002984/step Wall: 2522.6, 0.002984/step, 3.44271 hours remaining, 207.929688 MB of memory in use. ENERGY: 846600 756.6698 2075.7786 1943.8839 112.9117 -206152.2687 17692.9629 0.0000 0.0000 34183.0623 -149386.9995 298.5292 -183570.0618 -149284.9457 299.2023 -136.2696 -101.8618 558048.6969 13.1583 12.9274 PRESSURE: 846800 -34.2016 116.175 -19.8596 116.176 -227.578 108.402 -19.861 108.402 375.197 GPRESSURE: 846800 36.9804 46.0466 -17.6742 84.0082 -175.365 125.298 29.8269 117.847 340.678 PRESSAVG: 846800 -7.03897 0.812979 -19.1185 0.812986 35.3398 -27.3388 -19.1184 -27.3387 -42.3047 GPRESSAVG: 846800 -6.84795 -0.0607439 -19.7281 -0.136754 36.1678 -28.0723 -18.2916 -27.3517 -43.3034 TIMING: 846800 CPU: 2523.2, 0.00297446/step Wall: 2523.2, 0.00297446/step, 3.43154 hours remaining, 207.929688 MB of memory in use. ENERGY: 846800 768.5001 1999.9393 1948.3311 100.6485 -206703.4168 18136.5698 0.0000 0.0000 34417.4314 -149331.9965 300.5760 -183749.4279 -149235.5679 298.7836 37.8057 67.4310 557713.0039 -4.6680 -4.6612 PRESSURE: 847000 -173.728 -4.92989 148.575 -4.92954 -365.257 -25.0818 148.575 -25.0814 -70.1622 GPRESSURE: 847000 -178.833 25.1431 82.3929 -33.2937 -325.573 12.3302 141.511 28.4994 5.782 PRESSAVG: 847000 -62.9606 3.37474 19.79 3.37478 37.6924 1.61525 19.79 1.61535 -7.41136 GPRESSAVG: 847000 -62.7433 6.01418 22.5615 3.08939 38.7499 2.0995 18.1041 -0.00575341 -8.33673 TIMING: 847000 CPU: 2523.8, 0.00299361/step Wall: 2523.8, 0.00299361/step, 3.45346 hours remaining, 207.929688 MB of memory in use. ENERGY: 847000 752.7826 2057.5977 1925.6820 114.0760 -206315.6502 17606.5239 0.0000 0.0000 34513.8398 -149345.1481 301.4179 -183858.9879 -149251.3358 298.5677 -203.0488 -166.2082 556361.0864 -10.8932 -10.7767 PRESSURE: 847200 -121.301 -18.2974 147.354 -18.2979 -417.921 -34.4085 147.354 -34.4098 -20.1223 GPRESSURE: 847200 -72.4559 -16.8144 172.852 74.2285 -358.212 -19.508 192.636 -73.6073 -17.1323 PRESSAVG: 847200 14.5218 -24.0729 20.7962 -24.0729 -28.0713 -89.761 20.7963 -89.761 -26.9145 GPRESSAVG: 847200 14.3644 -26.9829 20.3038 -22.6121 -27.9509 -90.9063 21.2564 -86.3516 -26.5646 TIMING: 847200 CPU: 2524.39, 0.00297049/step Wall: 2524.39, 0.00297049/step, 3.42662 hours remaining, 207.929688 MB of memory in use. ENERGY: 847200 771.0135 2112.7487 1874.6883 111.0521 -205811.6705 17626.2761 0.0000 0.0000 34250.7146 -149065.1773 299.1200 -183315.8919 -148970.1979 299.4777 -186.4482 -149.2668 559856.9863 -13.4880 -13.3837 PRESSURE: 847400 -87.7932 -72.2778 8.0263 -72.2783 49.7996 58.0466 8.02581 58.0472 -91.2754 GPRESSURE: 847400 3.79614 -7.17828 16.463 -85.4844 42.8952 76.3048 3.47195 26.5527 -70.5697 PRESSAVG: 847400 22.0033 -37.8673 29.4118 -37.8673 20.3848 -26.1804 29.4118 -26.1803 -12.1288 GPRESSAVG: 847400 23.7211 -34.0758 27.6706 -38.5955 18.8035 -27.1569 30.4906 -26.944 -11.995 TIMING: 847400 CPU: 2524.98, 0.00293326/step Wall: 2524.98, 0.00293326/step, 3.38352 hours remaining, 207.929688 MB of memory in use. ENERGY: 847400 764.7054 2043.6677 1948.3456 119.6454 -206269.2040 17720.5067 0.0000 0.0000 34589.6657 -149082.6674 302.0802 -183672.3332 -148984.1247 300.3761 -43.0896 -7.9595 557020.6056 10.0865 10.1765 PRESSURE: 847600 -94.6706 88.876 0.633843 88.8762 -139.274 25.9248 0.633758 25.925 -208.589 GPRESSURE: 847600 -87.872 121.925 -46.9646 63.2599 -57.7801 28.3006 -20.259 60.5438 -203.065 PRESSAVG: 847600 -30.8161 -45.085 -39.5161 -45.0849 61.021 15.5815 -39.5162 15.5816 -47.94 GPRESSAVG: 847600 -32.6807 -47.503 -38.7892 -44.9436 61.0569 16.1521 -40.4455 16.5698 -46.6085 TIMING: 847600 CPU: 2525.57, 0.00297321/step Wall: 2525.57, 0.00297321/step, 3.42943 hours remaining, 207.929688 MB of memory in use. ENERGY: 847600 754.6771 2073.0239 1947.7343 111.1095 -205982.8266 17636.6069 0.0000 0.0000 34123.5963 -149336.0786 298.0099 -183459.6749 -149239.2615 299.2550 -147.5114 -116.2390 558011.8240 -5.9117 -6.0774 PRESSURE: 847800 260.143 -67.2186 16.9586 -67.2197 217.149 -85.5311 16.9598 -85.5311 25.7213 GPRESSURE: 847800 251.989 -105.499 1.48792 -38.222 275.465 -79.0029 39.0657 -72.6779 77.113 PRESSAVG: 847800 -38.4802 11.4859 7.70551 11.486 63.0467 21.7218 7.7054 21.7218 -8.95733 GPRESSAVG: 847800 -37.2952 10.3239 8.40246 12.5457 62.0271 23.7984 9.89357 20.3114 -9.57185 TIMING: 847800 CPU: 2526.17, 0.0029959/step Wall: 2526.17, 0.0029959/step, 3.45544 hours remaining, 207.929688 MB of memory in use. ENERGY: 847800 698.9324 2083.0813 1930.7856 111.1808 -206367.9441 18084.7230 0.0000 0.0000 34283.4007 -149175.8403 299.4055 -183459.2410 -149079.5809 298.9892 167.6712 201.5224 557081.8704 5.2030 5.0534 PRESSURE: 848000 129.54 -113.582 97.3855 -113.581 214.931 19.3604 97.3849 19.3617 -14.0668 GPRESSURE: 848000 196.277 -109.777 158.053 -103.945 156.297 23.1921 99.1493 106.349 61.0692 PRESSAVG: 848000 -44.6293 21.1665 -10.2945 21.1666 7.68895 -17.7855 -10.2945 -17.7855 24.1648 GPRESSAVG: 848000 -45.9309 22.5487 -11.5761 18.7264 8.07722 -18.6201 -10.031 -19.2025 24.6585 TIMING: 848000 CPU: 2526.76, 0.00295774/step Wall: 2526.76, 0.00295774/step, 3.41126 hours remaining, 207.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 848000 743.2670 2045.1852 1947.4993 104.0248 -206101.4446 17866.9346 0.0000 0.0000 34363.0037 -149031.5299 300.1007 -183394.5336 -148931.6429 299.5918 110.1346 137.8812 557920.3651 -4.2585 -4.3984 PRESSURE: 848200 294.262 185.907 -166.895 185.906 -98.414 -64.4672 -166.894 -64.4666 -200.007 GPRESSURE: 848200 324.618 170.463 -200.854 126.269 -69.5202 -94.0305 -75.0724 -79.3697 -164.263 PRESSAVG: 848200 12.6673 0.735075 13.289 0.734991 44.9521 5.63392 13.2891 5.63387 -35.7947 GPRESSAVG: 848200 12.4761 1.1899 16.8065 2.57339 45.6302 4.98052 11.3496 7.21662 -35.9957 TIMING: 848200 CPU: 2527.35, 0.00296223/step Wall: 2527.35, 0.00296223/step, 3.41627 hours remaining, 207.929688 MB of memory in use. ENERGY: 848200 741.9811 2085.4284 1910.8852 107.0359 -206048.7709 17633.3717 0.0000 0.0000 34344.1877 -149225.8810 299.9363 -183570.0687 -149130.8625 299.5712 -1.3863 30.2782 556400.0052 7.2749 7.3702 LDB: ============= START OF LOAD BALANCING ============== 2530.9 LDB: ============== END OF LOAD BALANCING =============== 2530.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2530.9 LDB: ============= START OF LOAD BALANCING ============== 2531.2 LDB: Largest compute 4796 load 0.027024 is 22.9% of average load 0.118116 LDB: Average compute 0.001718 is 1.5% of average load 0.118116 LDB: TIME 2531.2 LOAD: AVG 0.118116 MAX 0.204393 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.473 MB LDB: TIME 2531.2 LOAD: AVG 0.118116 MAX 0.204393 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: TIME 2531.2 LOAD: AVG 0.118116 MAX 0.204393 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: ============== END OF LOAD BALANCING =============== 2531.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2531.21 PRESSURE: 848400 96.8786 -84.7785 -6.24132 -84.7775 -219.154 -10.1151 -6.24195 -10.114 -137.328 GPRESSURE: 848400 89.0395 -97.8217 66.3703 -98.9792 -177.261 -9.5842 -24.4443 -125.623 -57.5938 PRESSAVG: 848400 83.9355 -11.8962 -39.1078 -11.8962 -15.4308 3.30162 -39.1078 3.30151 -71.6868 GPRESSAVG: 848400 85.0061 -11.6956 -39.232 -12.8615 -16.0795 3.0089 -37.5746 2.79983 -71.698 TIMING: 848400 CPU: 2527.96, 0.00300457/step Wall: 2527.96, 0.00300457/step, 3.46494 hours remaining, 207.214844 MB of memory in use. ENERGY: 848400 732.6386 2097.6439 1912.0044 110.5437 -206144.3998 17743.7889 0.0000 0.0000 34271.7958 -149275.9845 299.3041 -183547.7804 -149180.8148 298.6251 -86.5345 -48.6050 557024.9708 -1.0607 -0.9238 PRESSURE: 848600 261.766 -67.7338 -26.1197 -67.7349 -79.8457 103.264 -26.1188 103.262 20.4316 GPRESSURE: 848600 290.014 -65.4738 29.9015 -22.4727 -43.7987 48.5676 -36.1151 39.8348 45.5989 PRESSAVG: 848600 27.4198 39.858 29.9019 39.858 -90.317 32.2913 29.9019 32.2913 4.90353 GPRESSAVG: 848600 26.7321 39.1355 27.3237 40.1444 -90.3562 33.0399 30.8011 31.4222 4.76223 TIMING: 848600 CPU: 2528.55, 0.00295911/step Wall: 2528.55, 0.00295911/step, 3.41235 hours remaining, 207.214844 MB of memory in use. ENERGY: 848600 737.6004 2050.5312 1948.8344 116.3716 -205934.8308 17778.1439 0.0000 0.0000 34161.7117 -149141.6376 298.3427 -183303.3493 -149044.6312 299.2329 67.4505 97.2715 557040.3139 -19.3312 -19.6206 PRESSURE: 848800 -40.5804 -75.7102 -56.3934 -75.7112 160.4 156.659 -56.3939 156.659 64.626 GPRESSURE: 848800 73.7243 -8.26228 -126.085 -69.7699 130.591 197.325 -92.7685 -8.54661 66.3929 PRESSAVG: 848800 2.37967 -17.2946 24.6522 -17.2945 -3.2819 51.2898 24.6521 51.2898 -28.9086 GPRESSAVG: 848800 2.7289 -16.7627 25.9599 -16.69 -3.26161 52.9769 22.6987 52.3291 -29.151 TIMING: 848800 CPU: 2529.14, 0.0029877/step Wall: 2529.14, 0.0029877/step, 3.44515 hours remaining, 207.214844 MB of memory in use. ENERGY: 848800 758.0506 2120.5303 1913.5522 122.2183 -206274.4407 18060.9343 0.0000 0.0000 34278.0962 -149021.0588 299.3591 -183299.1549 -148928.0523 299.5434 61.4818 90.2362 557813.0137 -9.9369 -9.8946 PRESSURE: 849000 56.7694 -20.1837 28.8558 -20.1839 -66.2042 125.456 28.8558 125.458 213.073 GPRESSURE: 849000 76.4238 -13.3278 35.5857 -26.6747 -33.846 107.667 -42.4919 163.645 251.762 PRESSAVG: 849000 -34.3157 7.3909 78.5522 7.39088 15.7484 27.3034 78.5522 27.3034 27.7936 GPRESSAVG: 849000 -34.1094 6.62059 79.0819 6.99749 15.9911 24.0137 78.523 29.0472 27.3328 TIMING: 849000 CPU: 2529.74, 0.0029986/step Wall: 2529.74, 0.0029986/step, 3.45755 hours remaining, 207.214844 MB of memory in use. ENERGY: 849000 774.0635 2118.5198 1922.2983 126.4288 -206316.4188 17910.3544 0.0000 0.0000 34322.3182 -149142.4358 299.7453 -183464.7540 -149044.0067 299.7161 67.8796 98.1131 556546.5725 3.0754 3.0715 PRESSURE: 849200 -120.037 54.0095 -169.525 54.0079 -61.2668 -22.1425 -169.526 -22.1425 93.8898 GPRESSURE: 849200 -113.427 59.5413 -216.068 -13.2309 27.1404 -91.6517 -116.348 34.3855 104.643 PRESSAVG: 849200 -7.13199 -26.887 -2.58673 -26.8871 -45.3662 -13.9682 -2.58674 -13.9683 45.2991 GPRESSAVG: 849200 -6.75995 -26.4926 -4.18313 -27.2905 -44.9915 -12.3317 -1.39736 -14.8709 44.6267 TIMING: 849200 CPU: 2530.34, 0.00299156/step Wall: 2530.34, 0.00299156/step, 3.44927 hours remaining, 207.214844 MB of memory in use. ENERGY: 849200 725.4791 2134.0627 1911.5033 113.3999 -205816.7636 17656.4173 0.0000 0.0000 34119.6055 -149156.2958 297.9750 -183275.9013 -149058.2858 298.5470 -29.1382 6.1188 558756.1813 -2.3997 -2.3749 PRESSURE: 849400 -93.6927 18.3614 -150.437 18.3598 -46.2529 -55.7577 -150.438 -55.7573 -295.76 GPRESSURE: 849400 -85.1989 43.4179 -102.954 14.3156 -34.3355 -33.3555 -201.089 39.1539 -216.177 PRESSAVG: 849400 -19.5676 26.7881 -51.5632 26.7881 32.1893 -100.199 -51.5633 -100.199 62.2165 GPRESSAVG: 849400 -20.479 27.3827 -49.3863 26.6591 32.0579 -101.112 -52.2201 -100.152 62.9779 TIMING: 849400 CPU: 2530.94, 0.00298881/step Wall: 2530.94, 0.00298881/step, 3.44593 hours remaining, 207.214844 MB of memory in use. ENERGY: 849400 758.0998 2114.2590 1923.1056 119.7133 -205643.5643 17434.5555 0.0000 0.0000 33994.2374 -149299.5936 296.8801 -183293.8311 -149205.7110 298.7330 -145.2352 -111.9039 557253.2240 24.9461 24.8523 PRESSURE: 849600 -172.816 26.0678 161.487 26.0674 -405.144 31.8523 161.487 31.8519 -320.426 GPRESSURE: 849600 -181.603 -26.4695 127.184 45.0225 -328.646 -9.30956 107.986 15.9078 -303.528 PRESSAVG: 849600 -19.0472 44.815 -52.6484 44.815 -19.1476 -60.9924 -52.6483 -60.9926 45.045 GPRESSAVG: 849600 -18.8212 43.5384 -54.9761 45.6106 -19.3947 -59.759 -52.7428 -61.0945 45.6848 TIMING: 849600 CPU: 2531.53, 0.00295648/step Wall: 2531.53, 0.00295648/step, 3.40849 hours remaining, 207.214844 MB of memory in use. ENERGY: 849600 752.9952 2067.0038 1911.1613 119.1836 -205533.1858 17303.1627 0.0000 0.0000 34076.4008 -149303.2783 297.5977 -183379.6791 -149206.7904 298.9369 -299.4621 -271.2588 558512.0833 2.2834 2.4896 PRESSURE: 849800 117.261 130.874 6.47325 130.873 -150.653 30.5062 6.47387 30.504 -15.5399 GPRESSURE: 849800 171.558 56.6346 -27.9761 83.6 -71.3549 68.155 65.4933 36.333 -47.0748 PRESSAVG: 849800 76.5684 5.15351 18.1754 5.15349 -72.3803 7.11907 18.1755 7.11908 -0.994623 GPRESSAVG: 849800 77.023 5.56923 18.286 4.10496 -72.1367 7.91102 18.8948 5.14203 -2.51432 TIMING: 849800 CPU: 2532.13, 0.00298717/step Wall: 2532.13, 0.00298717/step, 3.44371 hours remaining, 207.214844 MB of memory in use. ENERGY: 849800 737.5670 2035.1415 1934.1419 115.2528 -206351.7050 17758.5656 0.0000 0.0000 34067.3558 -149703.6804 297.5187 -183771.0362 -149608.6857 297.7152 -16.3106 17.7094 556679.6255 1.0645 0.7906 PRESSURE: 850000 -106.855 84.7862 -52.4786 84.785 -365.291 -144.531 -52.4782 -144.53 -63.605 GPRESSURE: 850000 -39.8896 82.5257 -9.42308 53.8307 -343.472 -78.8172 -132.044 -224.872 -53.209 PRESSAVG: 850000 9.71764 -14.2262 -45.9909 -14.2263 -18.0137 -24.8873 -45.991 -24.8873 -12.216 GPRESSAVG: 850000 9.93209 -13.4973 -44.9163 -13.7313 -19.1815 -23.5373 -46.7334 -25.5633 -11.3524 TIMING: 850000 CPU: 2532.73, 0.00300271/step Wall: 2532.73, 0.00300271/step, 3.46146 hours remaining, 207.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 850000 735.8488 2019.3779 1925.7799 100.1711 -206299.3223 17658.4870 0.0000 0.0000 34221.6087 -149638.0488 298.8658 -183859.6575 -149537.6826 297.1405 -178.5838 -145.5235 558430.3635 -6.8374 -6.8673 PRESSURE: 850200 43.3493 -77.3033 1.418 -77.3035 -71.1309 -95.2057 1.41979 -95.2071 -287.444 GPRESSURE: 850200 43.4586 -24.8713 12.8773 10.178 -38.3755 -120.435 92.8402 -68.4531 -228.832 PRESSAVG: 850200 43.8336 -0.61218 -15.5603 -0.612206 -23.3551 -41.5764 -15.5602 -41.5764 -37.9732 GPRESSAVG: 850200 42.2991 -3.59834 -14.533 0.460923 -23.6019 -43.8033 -15.7616 -40.3524 -36.1406 TIMING: 850200 CPU: 2533.33, 0.00300178/step Wall: 2533.33, 0.00300178/step, 3.46022 hours remaining, 207.214844 MB of memory in use. ENERGY: 850200 802.3816 2078.4476 1944.9291 113.5904 -206399.7350 17703.1698 0.0000 0.0000 34351.0203 -149406.1962 299.9960 -183757.2165 -149309.3992 298.7440 -105.0752 -74.5829 556582.5175 -5.8316 -5.8145 PRESSURE: 850400 -219.277 0.175675 21.6031 0.176773 -119.571 159.11 21.6031 159.11 -43.1625 GPRESSURE: 850400 -113.462 -53.091 -21.4378 98.8224 -121.04 50.5323 -9.94221 228.137 -58.8863 PRESSAVG: 850400 -25.011 29.4351 -15.4887 29.4351 -22.4906 35.4238 -15.4887 35.4239 61.1574 GPRESSAVG: 850400 -23.1762 30.5559 -15.7085 28.8758 -22.1426 34.963 -15.2713 37.6392 58.6065 TIMING: 850400 CPU: 2533.93, 0.00297805/step Wall: 2533.93, 0.00297805/step, 3.4327 hours remaining, 207.214844 MB of memory in use. ENERGY: 850400 744.4626 2090.0123 1917.3800 110.8203 -206416.7731 17696.8217 0.0000 0.0000 34261.6077 -149595.6685 299.2151 -183857.2762 -149500.7366 298.6108 -127.3368 -97.7961 558749.6345 4.5519 4.4293 PRESSURE: 850600 -204.833 -149.023 56.1668 -149.022 143.919 100.338 56.1671 100.337 -4.76356 GPRESSURE: 850600 -139.12 -167.105 120.811 -128.462 137.753 81.8886 29.6264 212.741 40.5586 PRESSAVG: 850600 -57.755 33.3096 26.9107 33.3096 61.7407 -25.409 26.9106 -25.4088 6.79794 GPRESSAVG: 850600 -57.911 32.5458 25.8804 32.8689 60.5579 -25.274 26.0325 -26.9055 7.93601 TIMING: 850600 CPU: 2534.53, 0.00300251/step Wall: 2534.53, 0.00300251/step, 3.46072 hours remaining, 207.214844 MB of memory in use. ENERGY: 850600 720.7981 2095.3752 1934.9191 110.8206 -206339.8112 17793.3552 0.0000 0.0000 34088.3962 -149596.1468 297.7024 -183684.5430 -149499.2463 298.3713 -21.8928 13.0638 557538.9256 3.5946 3.5276 PRESSURE: 850800 -130.054 -75.7508 -61.0858 -75.7504 -123.268 36.2017 -61.0855 36.2017 122.149 GPRESSURE: 850800 -62.4406 -9.06316 -126.854 -94.0627 -71.734 27.6225 -31.8135 59.4116 76.1342 PRESSAVG: 850800 -26.5833 -11.143 -3.20731 -11.143 16.4717 55.6111 -3.20725 55.6111 -13.8769 GPRESSAVG: 850800 -26.9095 -10.9605 -2.19318 -11.865 17.2055 54.2355 -1.28237 57.6322 -13.8259 TIMING: 850800 CPU: 2535.12, 0.00298738/step Wall: 2535.12, 0.00298738/step, 3.44313 hours remaining, 207.214844 MB of memory in use. ENERGY: 850800 756.8902 2046.6758 1912.7423 113.4761 -206405.1134 17733.9470 0.0000 0.0000 34223.8042 -149617.5778 298.8850 -183841.3821 -149522.9646 298.3738 -43.7243 -19.3468 557834.4902 -7.9962 -7.8433 PRESSURE: 851000 -316.798 -169.523 -26.8653 -169.523 62.7864 105.592 -26.8646 105.592 -52.1097 GPRESSURE: 851000 -265.064 -136.738 -64.0742 -163.682 104.592 131.685 -55.9367 53.1649 -51.1699 PRESSAVG: 851000 -10.6009 6.56308 14.8846 6.56305 -4.99229 17.7164 14.8846 17.7163 33.0829 GPRESSAVG: 851000 -11.0857 8.47974 12.4808 8.85758 -4.96407 20.6045 14.7602 14.4666 33.8646 TIMING: 851000 CPU: 2535.72, 0.00297072/step Wall: 2535.72, 0.00297072/step, 3.42375 hours remaining, 207.339844 MB of memory in use. ENERGY: 851000 728.1967 2100.6367 1941.6800 111.6912 -206214.9201 17611.9625 0.0000 0.0000 34155.6207 -149565.1323 298.2895 -183720.7530 -149471.2214 297.7908 -102.0404 -70.5470 556317.7903 5.8299 5.9383 PRESSURE: 851200 -2.42072 119.873 -137.725 119.872 223.188 201.944 -137.725 201.944 163.801 GPRESSURE: 851200 39.6742 194.929 -107.803 86.8729 210.112 192.177 -146.432 189.572 223.401 PRESSAVG: 851200 -71.5533 -4.95933 -7.74709 -4.95929 71.1253 27.3678 -7.7471 27.3678 33.3829 GPRESSAVG: 851200 -70.0856 -4.21786 -6.91196 -6.62097 70.355 24.2371 -7.78478 30.5232 32.1123 TIMING: 851200 CPU: 2536.32, 0.002995/step Wall: 2536.32, 0.002995/step, 3.45157 hours remaining, 207.339844 MB of memory in use. ENERGY: 851200 738.9081 2104.3150 1952.5409 110.5572 -206894.4440 18104.5670 0.0000 0.0000 34174.3956 -149709.1602 298.4535 -183883.5558 -149617.1873 298.3054 128.1895 157.7290 556235.5973 10.9849 10.7939 PRESSURE: 851400 -223.647 -20.2602 9.12372 -20.2595 -444.455 58.9378 9.1235 58.9373 -116.568 GPRESSURE: 851400 -202.988 -27.3612 34.2248 -41.3401 -354.587 73.5595 -32.0388 76.7372 -125.361 PRESSAVG: 851400 7.30627 10.7052 -10.5498 10.7053 -4.53697 11.1183 -10.5499 11.1182 19.6338 GPRESSAVG: 851400 7.60812 8.74181 -9.18857 11.5824 -4.38604 12.4322 -13.1948 7.0908 19.9492 TIMING: 851400 CPU: 2536.92, 0.0030097/step Wall: 2536.92, 0.0030097/step, 3.46835 hours remaining, 207.339844 MB of memory in use. ENERGY: 851400 755.1197 2093.5393 1922.3510 118.2832 -206314.5393 17578.7633 0.0000 0.0000 34173.6128 -149672.8699 298.4467 -183846.4827 -149580.9238 297.4506 -261.5567 -227.6451 557477.6437 7.4677 7.7238 PRESSURE: 851600 -34.3879 -16.5264 61.7275 -16.5268 -348.579 38.3978 61.7272 38.398 -184.956 GPRESSURE: 851600 -18.614 -1.14206 22.343 -58.726 -314.673 -36.1104 50.2675 131.485 -137.381 PRESSAVG: 851600 -18.5167 -60.7263 -11.39 -60.7263 -8.51839 9.75157 -11.39 9.75152 1.18631 GPRESSAVG: 851600 -19.5702 -60.6288 -11.3417 -61.7046 -7.96794 10.7459 -10.0561 9.64968 1.71937 TIMING: 851600 CPU: 2537.51, 0.00297777/step Wall: 2537.51, 0.00297777/step, 3.43139 hours remaining, 207.339844 MB of memory in use. ENERGY: 851600 765.5817 2084.0384 1905.9183 113.0278 -206173.1064 17673.9996 0.0000 0.0000 34100.9998 -149529.5408 297.8125 -183630.5406 -149433.3001 298.2807 -189.3076 -156.8893 557684.8746 -8.6163 -8.6062 PRESSURE: 851800 -193.257 25.3192 -161.209 25.319 132.22 -127.365 -161.209 -127.366 -201.918 GPRESSURE: 851800 -111.576 89.2235 -68.1978 -26.746 84.6708 -80.9648 -118.985 -104.972 -139.444 PRESSAVG: 851800 35.9768 39.9455 -17.6806 39.9456 -43.7149 2.48851 -17.6806 2.48849 -15.1384 GPRESSAVG: 851800 35.884 38.7674 -16.7153 40.6259 -43.5947 1.1464 -16.6536 4.43812 -15.1311 TIMING: 851800 CPU: 2538.11, 0.00295814/step Wall: 2538.11, 0.00295814/step, 3.4086 hours remaining, 207.339844 MB of memory in use. ENERGY: 851800 730.1116 2113.4127 1938.9353 113.1701 -206507.9208 17850.5399 0.0000 0.0000 34235.0915 -149526.6596 298.9836 -183761.7511 -149427.7401 298.2512 -87.6520 -55.4499 557598.2498 -7.6255 -7.6139 PRESSURE: 852000 -47.3947 -57.9275 18.8594 -57.9281 -186.605 -5.70398 18.8603 -5.70388 141.79 GPRESSURE: 852000 6.58483 -35.7843 69.5896 -80.8255 -176.706 -72.5396 -83.4138 82.6462 171.288 PRESSAVG: 852000 53.1385 -10.5268 -37.9317 -10.5268 11.5604 -24.9681 -37.9317 -24.968 -12.7161 GPRESSAVG: 852000 53.9639 -7.42528 -39.016 -10.9871 10.9944 -26.7003 -37.9832 -25.2374 -13.2978 TIMING: 852000 CPU: 2538.7, 0.00298536/step Wall: 2538.7, 0.00298536/step, 3.43979 hours remaining, 207.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 852000 734.5136 2149.8056 1914.1044 103.4922 -206578.7793 17858.6093 0.0000 0.0000 34134.0667 -149684.1875 298.1013 -183818.2542 -149590.4060 298.5836 -30.7366 0.3888 558244.8056 17.3276 17.2202 PRESSURE: 852200 301.658 108.144 -91.5716 108.146 91.9397 66.7857 -91.5716 66.7869 153.822 GPRESSURE: 852200 348.105 49.9466 -45.5062 158.023 144.438 21.3692 -124.742 -6.20213 148.743 PRESSAVG: 852200 37.1199 -9.30225 10.3395 -9.30221 -48.2723 -55.4049 10.3396 -55.405 27.7386 GPRESSAVG: 852200 36.4734 -11.7577 10.9001 -7.7727 -48.3339 -54.2708 8.61561 -56.6469 27.7909 TIMING: 852200 CPU: 2539.3, 0.0029917/step Wall: 2539.3, 0.0029917/step, 3.44694 hours remaining, 207.339844 MB of memory in use. ENERGY: 852200 711.5161 2107.7059 1939.5329 109.2985 -206592.5222 18040.0436 0.0000 0.0000 34051.6343 -149632.7910 297.3814 -183684.4253 -149538.3508 298.0845 182.4732 213.7619 556356.1244 5.5287 5.3101 LDB: ============= START OF LOAD BALANCING ============== 2542.85 LDB: ============== END OF LOAD BALANCING =============== 2542.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2542.85 LDB: ============= START OF LOAD BALANCING ============== 2543.15 LDB: Largest compute 4796 load 0.028764 is 24.4% of average load 0.118122 LDB: Average compute 0.001724 is 1.5% of average load 0.118122 LDB: TIME 2543.15 LOAD: AVG 0.118122 MAX 0.205469 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.703 MB LDB: TIME 2543.15 LOAD: AVG 0.118122 MAX 0.205469 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: TIME 2543.15 LOAD: AVG 0.118122 MAX 0.205469 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2543.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2543.16 PRESSURE: 852400 185.041 -20.0694 128.268 -20.0682 39.5361 -16.0968 128.269 -16.0953 83.5368 GPRESSURE: 852400 222.246 -58.4425 101.169 54.5109 47.9686 30.7453 139.987 -32.1887 129.808 PRESSAVG: 852400 37.6131 -5.88238 -29.8561 -5.88244 52.7423 39.3371 -29.8561 39.337 -57.679 GPRESSAVG: 852400 37.2918 -6.39872 -31.1999 -5.67149 53.0431 41.319 -27.2877 38.9341 -58.3004 TIMING: 852400 CPU: 2539.91, 0.00302539/step Wall: 2539.91, 0.00302539/step, 3.48558 hours remaining, 206.703125 MB of memory in use. ENERGY: 852400 741.8454 2082.5261 1936.5453 103.9295 -206849.6785 18112.9694 0.0000 0.0000 34041.6027 -149830.2601 297.2938 -183871.8628 -149723.4108 297.0687 102.7047 133.3406 557379.1394 10.8921 10.6782 PRESSURE: 852600 -20.7394 109.736 -67.1903 109.736 248.324 -27.216 -67.1891 -27.2161 267.857 GPRESSURE: 852600 28.6967 97.0026 -47.4827 64.2596 269.244 6.09396 -80.8757 3.79266 291.772 PRESSAVG: 852600 -10.5443 -2.58483 -12.9653 -2.58484 -36.974 52.4374 -12.9653 52.4373 62.2452 GPRESSAVG: 852600 -9.78648 -0.816852 -10.7957 -4.63073 -37.4946 51.9038 -14.0505 53.5775 61.8532 TIMING: 852600 CPU: 2540.51, 0.0029957/step Wall: 2540.51, 0.0029957/step, 3.45122 hours remaining, 206.906250 MB of memory in use. ENERGY: 852600 745.4357 2026.5613 1938.0720 115.9806 -206973.0228 18274.4491 0.0000 0.0000 34036.0881 -149836.4360 297.2456 -183872.5241 -149743.3484 297.3013 165.1472 196.5710 557124.3679 4.9089 4.8574 PRESSURE: 852800 -118.508 128.278 -103.96 128.278 23.7703 75.0194 -103.96 75.0191 -340.24 GPRESSURE: 852800 -69.8208 128.843 -118.991 156.994 46.8989 44.6186 -54.8669 118.498 -313.135 PRESSAVG: 852800 12.5829 -1.76353 -13.3858 -1.76354 -27.6059 -45.669 -13.3859 -45.669 40.7051 GPRESSAVG: 852800 13.1272 -1.76437 -15.6125 -2.44504 -28.0488 -44.6893 -13.9992 -47.9276 40.7945 TIMING: 852800 CPU: 2541.1, 0.00297649/step Wall: 2541.1, 0.00297649/step, 3.42892 hours remaining, 206.906250 MB of memory in use. ENERGY: 852800 740.0391 2092.3305 1935.0573 104.3881 -206414.0194 17691.2160 0.0000 0.0000 34025.0645 -149825.9240 297.1494 -183850.9885 -149727.1580 297.4701 -144.9923 -112.0189 557767.2834 8.5607 8.6243 PRESSURE: 853000 119.416 13.2197 -170.848 13.2208 -32.7043 75.7365 -170.85 75.736 243.77 GPRESSURE: 853000 120.27 23.5543 -177.879 -43.1523 -8.74304 53.5716 -229.574 94.3768 315.011 PRESSAVG: 853000 -8.69394 2.48449 4.30133 2.48457 -21.2364 3.96375 4.30128 3.96373 42.2592 GPRESSAVG: 853000 -9.53872 3.91994 5.73951 0.151532 -19.6253 0.0622699 5.34989 8.93373 41.5176 TIMING: 853000 CPU: 2541.69, 0.00296917/step Wall: 2541.69, 0.00296917/step, 3.42032 hours remaining, 206.906250 MB of memory in use. ENERGY: 853000 720.2668 2063.5432 1934.2923 108.1207 -206983.8954 18002.0386 0.0000 0.0000 34376.4234 -149779.2104 300.2179 -184155.6338 -149676.9703 297.8648 110.1606 142.1793 554513.0916 4.1096 4.1179 PRESSURE: 853200 -348.602 177.086 107.08 177.084 13.3889 -77.9813 107.079 -77.9809 16.4352 GPRESSURE: 853200 -275.107 144.397 127.47 232.143 30.8476 -111.256 111.907 -103.96 19.143 PRESSAVG: 853200 -74.5208 -14.6723 -45.1381 -14.6724 5.54307 1.5148 -45.1381 1.51485 74.0021 GPRESSAVG: 853200 -75.7307 -15.3517 -44.4022 -13.0528 4.74415 4.10741 -46.5044 -3.48109 76.0465 TIMING: 853200 CPU: 2542.3, 0.00301143/step Wall: 2542.3, 0.00301143/step, 3.46883 hours remaining, 206.906250 MB of memory in use. ENERGY: 853200 716.2583 2090.2839 1928.6756 107.0433 -206444.3465 17757.2265 0.0000 0.0000 34025.1297 -149819.7292 297.1499 -183844.8589 -149721.7104 298.0650 -106.2593 -75.0387 555158.0507 1.6748 1.6867 PRESSURE: 853400 117.661 -168.491 72.0226 -168.492 -185.589 -8.77967 72.0224 -8.78187 135.344 GPRESSURE: 853400 124.551 -164.366 11.8715 -122.038 -169.481 -26.9376 114.691 25.9085 208.891 PRESSAVG: 853400 -39.5065 -25.7549 7.37239 -25.7549 -42.0023 23.1152 7.37238 23.1151 116.983 GPRESSAVG: 853400 -38.274 -26.4088 5.37431 -26.812 -43.2353 21.2075 9.01665 26.0526 117.507 TIMING: 853400 CPU: 2542.89, 0.00298298/step Wall: 2542.89, 0.00298298/step, 3.4359 hours remaining, 206.906250 MB of memory in use. ENERGY: 853400 714.7634 2100.6765 1947.6107 104.3586 -206570.6650 17774.7905 0.0000 0.0000 34081.3284 -149847.1369 297.6407 -183928.4653 -149750.5473 297.3372 22.4719 54.6536 554929.4367 11.8248 11.9993 PRESSURE: 853600 -290.746 166.995 13.7199 166.993 -220.04 170.727 13.7191 170.727 -230.945 GPRESSURE: 853600 -277.001 101.5 4.4317 152.067 -209.041 59.4195 43.11 204.637 -169.5 PRESSAVG: 853600 9.74936 -0.0222186 0.662704 -0.0222345 -25.3318 -44.3712 0.662739 -44.3712 58.2001 GPRESSAVG: 853600 11.5961 -0.134338 0.634173 0.374899 -25.0919 -41.2826 -0.424662 -46.1469 56.5399 TIMING: 853600 CPU: 2543.49, 0.00297386/step Wall: 2543.49, 0.00297386/step, 3.42523 hours remaining, 206.906250 MB of memory in use. ENERGY: 853600 751.0733 2076.1600 1931.5900 121.0228 -206650.9697 17700.0312 0.0000 0.0000 34239.9779 -149831.1145 299.0262 -184071.0924 -149731.2864 297.5802 -247.2435 -218.5142 557685.3641 14.2059 14.3480 PRESSURE: 853800 -89.7824 -180.523 -213.795 -180.524 27.7126 -205.674 -213.794 -205.674 -41.387 GPRESSURE: 853800 -67.2529 -192.363 -203.31 -139.162 40.6946 -230.437 -168.579 -242.59 19.5654 PRESSAVG: 853800 -4.01955 15.5204 -65.8088 15.5204 12.6862 -35.8208 -65.8088 -35.8206 -14.2884 GPRESSAVG: 853800 -5.21849 15.5949 -65.8954 15.45 13.5888 -37.7536 -64.6124 -35.1236 -13.8796 TIMING: 853800 CPU: 2544.08, 0.00297602/step Wall: 2544.08, 0.00297602/step, 3.42755 hours remaining, 206.906250 MB of memory in use. ENERGY: 853800 721.7992 2129.4262 1915.6534 104.2452 -206500.8443 17963.4299 0.0000 0.0000 33943.4536 -149722.8368 296.4366 -183666.2904 -149629.4371 297.3889 -34.4856 -2.3310 557786.3021 -1.8739 -1.8364 PRESSURE: 854000 106.905 -27.7592 85.4074 -27.7599 130.155 -5.93572 85.4071 -5.93636 81.6641 GPRESSURE: 854000 83.0193 -74.5316 84.3992 -35.3106 151.91 -49.5343 70.6329 39.8788 173.226 PRESSAVG: 854000 -37.1295 38.7377 -37.4908 38.7377 19.1023 -39.0014 -37.4907 -39.0014 2.23216 GPRESSAVG: 854000 -36.5542 40.0332 -38.1916 38.7564 18.6642 -39.7156 -37.9706 -38.3341 2.12475 TIMING: 854000 CPU: 2544.68, 0.00296561/step Wall: 2544.68, 0.00296561/step, 3.4154 hours remaining, 206.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 854000 738.7120 2133.4346 1904.5044 92.6898 -207044.6409 18154.6497 0.0000 0.0000 34290.9949 -149729.6554 299.4718 -184020.6503 -149647.4462 297.0466 106.2412 136.0518 555879.6509 -5.2650 -5.2551 PRESSURE: 854200 263.144 39.5465 -134.678 39.5458 -126.38 -19.3841 -134.677 -19.3835 9.21725 GPRESSURE: 854200 290.379 -10.6974 -134.728 67.2143 -78.9817 -7.8259 -176.994 -50.3916 29.9664 PRESSAVG: 854200 76.5682 97.212 34.2266 97.212 -90.8782 -7.56218 34.2265 -7.56221 9.99029 GPRESSAVG: 854200 77.1596 96.0049 35.4844 97.5171 -91.4819 -5.57038 32.6803 -7.7625 9.90007 TIMING: 854200 CPU: 2545.27, 0.00299072/step Wall: 2545.27, 0.00299072/step, 3.44414 hours remaining, 206.906250 MB of memory in use. ENERGY: 854200 749.0651 2043.9965 1903.3236 121.4063 -206608.7039 18067.9901 0.0000 0.0000 34169.5188 -149553.4036 298.4109 -183722.9224 -149461.1431 297.4433 48.6606 80.4545 557612.9719 -1.4399 -1.4741 PRESSURE: 854400 -90.017 16.2735 -54.2304 16.2739 9.52875 142.604 -54.2305 142.606 -277.005 GPRESSURE: 854400 -22.5337 -35.3767 -46.229 35.4552 -26.9789 132.453 14.2362 204.98 -212.507 PRESSAVG: 854400 -12.0881 -31.2226 -21.7278 -31.2225 22.9388 14.0613 -21.7279 14.0613 -2.64451 GPRESSAVG: 854400 -13.1417 -32.1007 -23.4378 -30.8638 22.8989 14.4127 -19.0704 14.1579 -1.82095 TIMING: 854400 CPU: 2545.87, 0.00297405/step Wall: 2545.87, 0.00297405/step, 3.42479 hours remaining, 206.906250 MB of memory in use. ENERGY: 854400 740.9334 2087.8536 1926.7582 113.8348 -205924.6931 17715.6820 0.0000 0.0000 34054.4028 -149285.2282 297.4056 -183339.6310 -149182.9194 298.5271 -119.1643 -87.3398 558975.6518 2.7354 2.6454 PRESSURE: 854600 -203.055 63.6769 35.7144 63.6774 -214.345 -14.6641 35.7146 -14.6638 -179.861 GPRESSURE: 854600 -173.163 97.8232 43.8313 3.27708 -193.817 7.02172 -16.5926 -66.3204 -131.623 PRESSAVG: 854600 -16.9213 -40.8676 -51.3491 -40.8677 31.266 36.6763 -51.3491 36.6763 -0.674769 GPRESSAVG: 854600 -18.0644 -41.8038 -49.7279 -38.905 32.3087 35.3587 -52.1626 34.1343 -0.944333 TIMING: 854600 CPU: 2546.47, 0.00298832/step Wall: 2546.47, 0.00298832/step, 3.44105 hours remaining, 206.906250 MB of memory in use. ENERGY: 854600 713.1153 2084.5591 1918.3520 115.0486 -205924.4491 17545.2263 0.0000 0.0000 34177.9365 -149370.2113 298.4844 -183548.1477 -149274.5739 299.1863 -199.0871 -166.2010 558878.9679 4.5566 4.4333 PRESSURE: 854800 244.974 191.041 -164.049 191.041 55.6396 -77.1704 -164.048 -77.1712 17.796 GPRESSURE: 854800 246.634 157.867 -135.058 122.947 117.155 -137.546 -183.414 -65.8613 59.055 PRESSAVG: 854800 -47.853 0.374908 -59.333 0.374785 29.4592 -12.4051 -59.3332 -12.405 -3.02271 GPRESSAVG: 854800 -47.2238 2.46096 -60.691 -1.01119 29.5915 -12.9436 -58.8734 -10.8052 -3.41616 TIMING: 854800 CPU: 2547.06, 0.00298217/step Wall: 2547.06, 0.00298217/step, 3.4338 hours remaining, 206.906250 MB of memory in use. ENERGY: 854800 723.8109 2110.5710 1920.4203 109.7752 -206231.9507 17918.2855 0.0000 0.0000 34281.6928 -149167.3950 299.3905 -183449.0878 -149069.6403 299.1323 106.1364 140.9483 557231.9528 -7.1388 -7.0161 PRESSURE: 855000 -267.391 41.5851 53.8617 41.5843 -89.2054 -260.337 53.8607 -260.336 -170.182 GPRESSURE: 855000 -267.912 83.2624 67.9896 74.8555 -73.6631 -257.157 142.201 -364.145 -89.3586 PRESSAVG: 855000 20.4722 -21.712 4.69175 -21.712 36.199 -42.0531 4.69173 -42.0531 -42.6019 GPRESSAVG: 855000 21.3181 -20.9648 6.03149 -23.1296 35.7075 -41.3587 2.6409 -41.7259 -42.4978 TIMING: 855000 CPU: 2547.66, 0.00297699/step Wall: 2547.66, 0.00297699/step, 3.42767 hours remaining, 206.906250 MB of memory in use. ENERGY: 855000 745.5065 2163.5343 1909.4617 105.2618 -205844.0968 17765.1338 0.0000 0.0000 34198.2016 -148956.9971 298.6614 -183155.1987 -148858.3115 299.3214 -175.5929 -143.6445 560397.5565 4.6898 4.8426 PRESSURE: 855200 -261.896 -46.0456 -97.2911 -46.0448 -122.108 67.0957 -97.2906 67.0937 -188.034 GPRESSURE: 855200 -136.413 -10.1961 -151.229 9.56538 -80.4042 9.88304 -30.8267 39.5622 -268.285 PRESSAVG: 855200 -66.4767 -36.5943 -12.6975 -36.5944 32.5943 -25.7662 -12.6974 -25.7662 -5.38013 GPRESSAVG: 855200 -66.2656 -35.8699 -12.0632 -36.312 33.2367 -26.1214 -11.6841 -26.4241 -6.0947 TIMING: 855200 CPU: 2548.26, 0.00298819/step Wall: 2548.26, 0.00298819/step, 3.4404 hours remaining, 206.906250 MB of memory in use. ENERGY: 855200 718.9997 2118.0712 1956.5323 116.7541 -205561.8446 17317.7497 0.0000 0.0000 34556.2449 -148777.4928 301.7883 -183333.7377 -148680.6252 300.4349 -190.6795 -161.7008 558369.4093 -13.0875 -13.0412 PRESSURE: 855400 145.134 42.2302 -63.9048 42.2308 211.827 -108.277 -63.9056 -108.277 63.688 GPRESSURE: 855400 101.099 -26.1848 28.6436 121.659 302.333 -92.8296 -129.436 -170.502 97.3236 PRESSAVG: 855400 1.28641 -46.1191 6.44891 -46.1191 57.2249 19.0476 6.44888 19.0477 -15.7678 GPRESSAVG: 855400 0.168412 -49.0035 6.87032 -44.8496 57.3088 18.7116 6.09093 18.6731 -15.0902 TIMING: 855400 CPU: 2548.85, 0.00298196/step Wall: 2548.85, 0.00298196/step, 3.43306 hours remaining, 206.906250 MB of memory in use. ENERGY: 855400 718.1858 2110.4521 1939.4406 121.5883 -205896.1373 17829.3530 0.0000 0.0000 34439.6752 -148737.4424 300.7702 -183177.1176 -148636.7199 300.3664 140.2164 166.9187 557257.4024 14.2478 14.1290 PRESSURE: 855600 -62.8695 -23.3402 -9.46041 -23.3391 -316.124 39.9051 -9.45974 39.9046 -272.204 GPRESSURE: 855600 -47.8379 48.3039 67.5684 -51.9928 -261.381 79.1322 -68.5652 39.7588 -240.774 PRESSAVG: 855600 -12.4175 -15.8758 -42.5164 -15.8759 31.0368 4.13108 -42.5164 4.13111 11.3213 GPRESSAVG: 855600 -12.6103 -12.5551 -42.7466 -17.8624 31.8434 3.9415 -42.0409 4.51013 11.9185 TIMING: 855600 CPU: 2549.44, 0.0029557/step Wall: 2549.44, 0.0029557/step, 3.40267 hours remaining, 206.906250 MB of memory in use. ENERGY: 855600 766.1604 2033.3479 1960.5528 111.4319 -205489.7830 17512.9897 0.0000 0.0000 34333.8099 -148771.4904 299.8457 -183105.3003 -148672.6423 299.9984 -217.0658 -183.3309 558115.8127 9.9802 10.3839 PRESSURE: 855800 192.394 -65.1044 146.089 -65.105 -88.6361 45.0903 146.091 45.0906 -197.667 GPRESSURE: 855800 214.066 -18.2278 79.4776 -165.708 -48.1228 -6.06996 209.809 2.17269 -164.408 PRESSAVG: 855800 32.6428 -32.5609 33.0738 -32.5609 6.34962 23.8363 33.0738 23.8362 14.294 GPRESSAVG: 855800 33.5061 -32.3871 34.1353 -32.6376 5.99601 24.4127 32.7507 25.7869 14.3549 TIMING: 855800 CPU: 2550.04, 0.0029865/step Wall: 2550.04, 0.0029865/step, 3.43796 hours remaining, 206.906250 MB of memory in use. ENERGY: 855800 728.7073 2085.2866 1939.9857 105.5939 -205843.8959 17678.2031 0.0000 0.0000 34410.7107 -148895.4087 300.5173 -183306.1194 -148807.9886 300.2634 -31.3029 0.5118 558414.0700 17.7622 17.9523 PRESSURE: 856000 -139.665 67.1721 42.0324 67.1717 256.866 77.4816 42.0314 77.4815 81.4763 GPRESSURE: 856000 -143.455 -47.0271 41.2174 113.461 288.732 124.868 -19.2454 86.7354 151.02 PRESSAVG: 856000 -33.4887 -58.7616 7.44138 -58.7617 35.4121 10.9222 7.44141 10.9222 7.05517 GPRESSAVG: 856000 -34.5141 -59.7317 4.93251 -57.1944 35.5181 10.8052 8.85861 11.846 7.74813 TIMING: 856000 CPU: 2550.65, 0.00303434/step Wall: 2550.65, 0.00303434/step, 3.49287 hours remaining, 206.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 856000 720.2558 2095.9708 1956.9282 125.0180 -205913.7429 17755.8853 0.0000 0.0000 34443.9377 -148815.7471 300.8075 -183259.6848 -148712.7871 300.2471 66.2259 98.7656 557184.8956 2.9929 2.9174 PRESSURE: 856200 134.785 113.609 85.346 113.609 -123.724 114.627 85.3453 114.628 86.4196 GPRESSURE: 856200 130.693 129.135 21.4917 110.907 -44.312 208.326 55.0408 80.4216 106.34 PRESSAVG: 856200 -81.5242 -2.65934 -21.8543 -2.65944 40.8613 53.5867 -21.8543 53.5867 54.3477 GPRESSAVG: 856200 -80.2852 -5.50666 -20.8042 -2.42934 40.824 53.7479 -22.8912 53.0297 53.0284 TIMING: 856200 CPU: 2551.25, 0.00298632/step Wall: 2551.25, 0.00298632/step, 3.43742 hours remaining, 206.906250 MB of memory in use. ENERGY: 856200 751.8525 2078.0309 1936.4558 108.4894 -206279.5634 17888.9839 0.0000 0.0000 34592.9829 -148922.7681 302.1091 -183515.7510 -148824.9058 301.2006 32.4935 64.2404 557117.4190 4.5616 4.5224 LDB: ============= START OF LOAD BALANCING ============== 2554.8 LDB: ============== END OF LOAD BALANCING =============== 2554.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2554.8 LDB: ============= START OF LOAD BALANCING ============== 2555.1 LDB: Largest compute 4796 load 0.027514 is 23.3% of average load 0.118109 LDB: Average compute 0.001718 is 1.5% of average load 0.118109 LDB: TIME 2555.1 LOAD: AVG 0.118109 MAX 0.209268 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.703 MB LDB: TIME 2555.1 LOAD: AVG 0.118109 MAX 0.209268 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: TIME 2555.1 LOAD: AVG 0.118109 MAX 0.209268 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: ============== END OF LOAD BALANCING =============== 2555.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2555.11 PRESSURE: 856400 -79.7329 103.194 58.9866 103.194 108.205 257.151 58.9873 257.15 -41.5259 GPRESSURE: 856400 15.8887 133.891 114.756 120.084 92.8255 280.219 75.7109 231.036 -30.9876 PRESSAVG: 856400 -21.7535 60.8098 27.8835 60.8098 33.5115 80.5427 27.8835 80.5428 39.6712 GPRESSAVG: 856400 -22.3358 61.6447 27.4613 59.2675 33.9071 82.049 30.3789 81.0711 39.4828 TIMING: 856400 CPU: 2551.86, 0.00307338/step Wall: 2551.86, 0.00307338/step, 3.53746 hours remaining, 207.472656 MB of memory in use. ENERGY: 856400 745.9416 2072.0746 1948.1601 111.4680 -205833.7505 17748.4866 0.0000 0.0000 34303.9978 -148903.6218 299.5853 -183207.6196 -148803.9405 300.2178 -4.3513 25.9089 558877.7419 17.1431 17.0180 PRESSURE: 856600 -183.214 104.952 -5.06485 104.952 -63.9908 -141.936 -5.06498 -141.936 9.80599 GPRESSURE: 856600 -130.92 83.5212 -44.5013 131.566 -32.6956 -90.4033 -51.0589 -166.691 37.39 PRESSAVG: 856600 -21.8266 -22.7139 0.711187 -22.7139 8.596 7.50997 0.711283 7.50998 4.1268 GPRESSAVG: 856600 -21.1232 -23.6963 1.04481 -22.2906 6.96128 6.46299 -0.630858 4.88406 4.5651 TIMING: 856600 CPU: 2552.46, 0.00298457/step Wall: 2552.46, 0.00298457/step, 3.43507 hours remaining, 207.472656 MB of memory in use. ENERGY: 856600 741.0902 2111.9145 1951.2283 124.0052 -205915.1659 17572.0197 0.0000 0.0000 34454.8181 -148960.0898 300.9025 -183414.9079 -148860.6695 300.1367 -79.1328 -42.0752 557884.4630 -3.0346 -3.1989 PRESSURE: 856800 2.43222 -35.0692 -125.27 -35.068 -59.4712 -140.174 -125.27 -140.176 13.4393 GPRESSURE: 856800 12.502 15.441 -137.221 -6.81033 41.7934 -91.9164 -138.228 -243.508 -4.18257 PRESSAVG: 856800 -6.75524 -2.1638 -35.6515 -2.16376 -54.2708 4.2613 -35.6515 4.26134 51.8779 GPRESSAVG: 856800 -6.55509 -0.747158 -34.3388 -1.49361 -53.5365 5.97574 -36.0106 3.04833 51.1835 TIMING: 856800 CPU: 2553.05, 0.00296672/step Wall: 2553.05, 0.00296672/step, 3.41437 hours remaining, 207.472656 MB of memory in use. ENERGY: 856800 727.3495 2186.2933 1938.7587 109.8597 -205978.7414 17698.0345 0.0000 0.0000 34377.1814 -148941.2642 300.2245 -183318.4457 -148848.1692 299.9712 -14.5332 16.7043 556811.6271 -3.0494 -2.9694 PRESSURE: 857000 215.628 125.495 73.6585 125.496 -236.772 -55.5864 73.6581 -55.5845 196.702 GPRESSURE: 857000 284.658 57.4942 89.4147 137.878 -134.675 -70.4574 84.143 -25.0641 137.435 PRESSAVG: 857000 3.88654 35.6667 -46.2481 35.6667 14.3811 -16.7062 -46.248 -16.706 -10.0144 GPRESSAVG: 857000 4.51814 36.2646 -47.5475 35.1057 14.4699 -16.8289 -45.248 -14.5743 -10.3963 TIMING: 857000 CPU: 2553.65, 0.00297334/step Wall: 2553.65, 0.00297334/step, 3.42182 hours remaining, 207.472656 MB of memory in use. ENERGY: 857000 709.6158 2136.2432 1908.8948 111.8770 -206247.6721 17826.1752 0.0000 0.0000 34721.3387 -148833.5273 303.2301 -183554.8660 -148738.0688 300.5772 58.5193 95.8061 556387.6923 2.7511 2.8639 PRESSURE: 857200 106.669 -54.1048 -123.395 -54.1051 406.981 -37.4412 -123.396 -37.4422 -278.19 GPRESSURE: 857200 170.779 -48.5656 -140.294 -110.407 387.305 12.4102 -69.2325 -5.36467 -220.494 PRESSAVG: 857200 52.4775 31.1158 -35.4009 31.1158 -45.5494 -73.4208 -35.4009 -73.4209 0.430237 GPRESSAVG: 857200 52.1596 30.474 -34.9652 30.8358 -46.3118 -73.1882 -38.2257 -74.536 1.34463 TIMING: 857200 CPU: 2554.24, 0.00298071/step Wall: 2554.24, 0.00298071/step, 3.43013 hours remaining, 207.472656 MB of memory in use. ENERGY: 857200 708.3447 2131.2432 1911.0838 112.5798 -205819.8671 17642.5600 0.0000 0.0000 34448.6449 -148865.4107 300.8486 -183314.0556 -148766.0660 300.0164 78.4866 112.5301 557452.1240 2.4528 2.3975 PRESSURE: 857400 -168.999 -41.7562 -41.0568 -41.7565 139.606 -27.2482 -41.0566 -27.2494 115.76 GPRESSURE: 857400 -59.6885 21.5671 -7.50696 -93.7721 166.324 102.11 -107.932 -152.708 70.8459 PRESSAVG: 857400 28.572 -40.6769 -39.6219 -40.677 29.0836 23.1842 -39.6219 23.1841 2.11219 GPRESSAVG: 857400 27.7659 -39.44 -39.6453 -40.7486 30.5805 22.9494 -37.7162 23.3054 1.2345 TIMING: 857400 CPU: 2554.84, 0.00297933/step Wall: 2554.84, 0.00297933/step, 3.42838 hours remaining, 207.472656 MB of memory in use. ENERGY: 857400 743.9096 2099.4473 1917.3800 99.9724 -205514.0177 17625.5605 0.0000 0.0000 34308.9348 -148718.8130 299.6285 -183027.7478 -148621.6426 300.2540 28.7891 59.1603 558296.3983 19.9226 19.8603 PRESSURE: 857600 -79.5392 -41.5993 18.0351 -41.5997 -105.288 -73.376 18.035 -73.3781 -240.163 GPRESSURE: 857600 -71.3204 -23.0041 98.7619 -27.9607 -52.2304 -51.2041 -81.4538 -21.0044 -195.697 PRESSAVG: 857600 16.3983 3.77861 55.096 3.77856 -37.7847 13.2018 55.096 13.2016 3.8735 GPRESSAVG: 857600 15.3466 0.335825 53.8064 4.86035 -38.8489 12.3078 56.3124 13.9062 5.38468 TIMING: 857600 CPU: 2555.43, 0.00296342/step Wall: 2555.43, 0.00296342/step, 3.4099 hours remaining, 207.472656 MB of memory in use. ENERGY: 857600 750.3997 2057.0990 1967.7749 116.8093 -205789.5939 17623.3913 0.0000 0.0000 34610.3616 -148663.7583 302.2609 -183274.1199 -148572.7660 300.4934 -141.6634 -106.4159 558655.7617 -5.8376 -6.0392 PRESSURE: 857800 221.892 15.5118 -28.8928 15.5125 47.8443 -16.2428 -28.8933 -16.2429 160.24 GPRESSURE: 857800 284.505 61.4654 -47.7951 10.1267 45.8732 22.3914 -73.174 -20.9215 192.959 PRESSAVG: 857800 -45.5221 -36.7748 9.11379 -36.7747 10.9636 -31.8677 9.11375 -31.8676 78.8943 GPRESSAVG: 857800 -43.7258 -35.4367 9.58071 -37.7722 9.84161 -33.0127 8.94929 -30.593 78.2241 TIMING: 857800 CPU: 2556.02, 0.00295228/step Wall: 2556.02, 0.00295228/step, 3.39693 hours remaining, 207.472656 MB of memory in use. ENERGY: 857800 722.6355 2098.2185 1928.3057 115.3159 -206030.1358 17936.7337 0.0000 0.0000 34489.9380 -148738.9886 301.2092 -183228.9265 -148647.1349 300.2558 143.3252 174.4458 558529.5795 14.7786 14.7800 PRESSURE: 858000 109.517 -261.381 -20.201 -261.38 28.1496 123.77 -20.2016 123.77 33.5499 GPRESSURE: 858000 119.445 -320.504 4.11855 -259.03 88.5504 100.434 -47.3594 165.096 55.0899 PRESSAVG: 858000 26.4899 -17.6551 -25.122 -17.655 -19.484 35.6643 -25.122 35.6644 -8.00381 GPRESSAVG: 858000 25.2792 -18.8041 -25.2719 -16.4056 -18.8121 37.6738 -23.6586 34.2155 -7.67981 TIMING: 858000 CPU: 2556.61, 0.00296472/step Wall: 2556.61, 0.00296472/step, 3.41108 hours remaining, 207.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 858000 790.5802 2088.1365 1940.1751 109.0225 -206110.6350 17960.3104 0.0000 0.0000 34519.3465 -148703.0640 301.4660 -183222.4104 -148603.5821 300.7291 57.0721 87.6951 558311.4875 -0.3326 -0.4043 PRESSURE: 858200 -145.138 40.9461 220.18 40.9468 -114.553 153.452 220.181 153.454 -90.8862 GPRESSURE: 858200 -85.3488 15.9849 163.557 81.6203 -96.1738 98.0294 190.869 117.506 -77.1293 PRESSAVG: 858200 40.7661 -33.0516 76.9384 -33.0516 -29.7455 -15.3062 76.9385 -15.3063 35.8419 GPRESSAVG: 858200 40.0583 -31.9754 79.4538 -34.1723 -28.2829 -15.8134 73.3954 -14.5891 35.1516 TIMING: 858200 CPU: 2557.2, 0.00295098/step Wall: 2557.2, 0.00295098/step, 3.3951 hours remaining, 207.472656 MB of memory in use. ENERGY: 858200 778.6070 2085.6123 1959.0540 102.3061 -205795.4029 17524.9893 0.0000 0.0000 34357.9036 -148986.9307 300.0561 -183344.8343 -148887.8925 300.6052 -116.8590 -86.2173 558900.9081 15.6209 15.6423 PRESSURE: 858400 -300.849 -35.6869 -92.3202 -35.6864 -76.2445 -55.5858 -92.319 -55.5853 42.4821 GPRESSURE: 858400 -226.671 -25.3293 -42.4858 -89.451 -87.2363 -42.3807 -106.316 -45.4648 91.2492 PRESSAVG: 858400 57.8666 -18.2704 50.139 -18.2704 -33.8608 16.2499 50.1391 16.2501 -20.8025 GPRESSAVG: 858400 58.9889 -16.8782 48.0288 -19.1838 -34.0385 17.3309 51.996 17.0808 -22.0236 TIMING: 858400 CPU: 2557.8, 0.00296598/step Wall: 2557.8, 0.00296598/step, 3.4122 hours remaining, 207.472656 MB of memory in use. ENERGY: 858400 750.4279 2063.8889 1940.1721 103.0282 -206150.8575 17780.0595 0.0000 0.0000 34496.0515 -149017.2293 301.2626 -183513.2808 -148920.1037 299.7417 -111.5371 -74.2192 557826.4025 1.0678 0.9756 PRESSURE: 858600 -359.038 81.7268 -102.796 81.7272 35.3295 -35.3179 -102.794 -35.3197 -83.1853 GPRESSURE: 858600 -298.166 155.755 -151.575 -52.1545 73.0065 -101.952 -102.288 28.1889 -92.3931 PRESSAVG: 858600 -51.2802 17.9301 27.2736 17.9302 13.5015 23.229 27.2736 23.2291 38.5343 GPRESSAVG: 858600 -51.6006 17.0492 29.5464 18.4096 13.6214 21.755 24.4812 22.8971 38.8466 TIMING: 858600 CPU: 2558.39, 0.00295977/step Wall: 2558.39, 0.00295977/step, 3.40489 hours remaining, 207.472656 MB of memory in use. ENERGY: 858600 731.3252 2068.8877 1927.8632 107.4414 -205823.6357 17557.2862 0.0000 0.0000 34256.0914 -149174.7406 299.1670 -183430.8320 -149071.8440 299.8049 -135.6313 -105.8508 556206.6883 0.2519 0.2891 PRESSURE: 858800 -208.604 256.691 35.7427 256.692 -32.581 -9.83921 35.7427 -9.83757 -77.5131 GPRESSURE: 858800 -202.386 301.597 154.322 273.529 -8.56953 -54.2879 -40.9468 62.992 -13.0166 PRESSAVG: 858800 -63.5077 8.73433 34.2043 8.73437 -36.4786 13.6255 34.2042 13.6255 15.3362 GPRESSAVG: 858800 -63.4488 6.82885 32.3502 9.73491 -36.3506 15.1067 34.5647 12.8327 15.4163 TIMING: 858800 CPU: 2558.98, 0.00297336/step Wall: 2558.98, 0.00297336/step, 3.42035 hours remaining, 207.472656 MB of memory in use. ENERGY: 858800 747.0649 2057.3111 1935.3395 110.1212 -205952.4104 17623.0480 0.0000 0.0000 34066.0296 -149413.4959 297.5071 -183479.5256 -149323.7760 298.6635 -106.2329 -74.6575 557403.1127 -28.2167 -28.1277 PRESSURE: 859000 -316.178 45.5839 -174.296 45.5849 91.3785 87.7933 -174.297 87.7935 -101.282 GPRESSURE: 859000 -240.737 23.6316 -188.457 86.174 85.0301 99.5568 -165.698 62.7611 -84.7736 PRESSAVG: 859000 13.0223 22.5149 4.69929 22.5148 -35.5344 62.2822 4.69929 62.2822 -12.81 GPRESSAVG: 859000 14.0675 23.7153 5.15447 20.9711 -37.0503 61.7946 5.82479 61.1358 -11.528 TIMING: 859000 CPU: 2559.58, 0.00299279/step Wall: 2559.58, 0.00299279/step, 3.44253 hours remaining, 207.472656 MB of memory in use. ENERGY: 859000 719.9431 2042.4752 1961.6450 101.9166 -205919.8489 17526.7158 0.0000 0.0000 34244.8761 -149322.2771 299.0690 -183567.1532 -149223.7106 298.8655 -108.6938 -80.1601 556690.2218 -11.7740 -11.5036 PRESSURE: 859200 56.9017 109.678 -15.3188 109.677 -41.7868 76.894 -15.32 76.8946 -352.142 GPRESSURE: 859200 137.596 99.2756 8.12671 136.571 -29.2736 70.4794 -68.3866 61.859 -356.275 PRESSAVG: 859200 -23.7116 -13.9845 -61.9807 -13.9846 63.3746 -16.9125 -61.9806 -16.9125 -20.4509 GPRESSAVG: 859200 -25.1704 -13.9299 -62.7123 -14.8508 64.9442 -18.875 -61.4326 -15.9821 -20.7943 TIMING: 859200 CPU: 2560.18, 0.00296839/step Wall: 2560.18, 0.00296839/step, 3.41431 hours remaining, 207.472656 MB of memory in use. ENERGY: 859200 784.3322 2110.0182 1931.2361 109.3919 -206601.0824 17878.2918 0.0000 0.0000 34444.6884 -149343.1238 300.8140 -183787.8122 -149249.2319 299.0552 -112.3424 -82.6508 558079.6262 6.4040 6.3265 PRESSURE: 859400 145.611 42.5726 45.5678 42.5708 201.94 -19.1805 45.5676 -19.1791 277.801 GPRESSURE: 859400 177.983 7.28231 83.803 73.0227 254.257 -95.2128 11.3272 -0.97784 311.176 PRESSAVG: 859400 -24.9448 62.869 -1.69986 62.8689 42.8822 15.0195 -1.69985 15.0196 -3.65946 GPRESSAVG: 859400 -23.0037 62.206 -1.12679 62.7844 41.816 17.6197 -2.11663 14.0537 -4.67038 TIMING: 859400 CPU: 2560.78, 0.00300171/step Wall: 2560.78, 0.00300171/step, 3.45246 hours remaining, 207.472656 MB of memory in use. ENERGY: 859400 729.4577 2015.7555 1924.6403 112.4722 -206341.7297 18093.9141 0.0000 0.0000 34155.0879 -149310.4021 298.2849 -183465.4900 -149211.1992 299.3222 208.4509 247.8054 557236.6905 4.7593 4.7140 PRESSURE: 859600 -19.6606 -126.2 -102.476 -126.199 -277.185 6.48082 -102.476 6.48015 -162.24 GPRESSURE: 859600 19.8559 -160.376 -187.887 -114.695 -279.938 11.5566 -29.0896 -29.4605 -102.117 PRESSAVG: 859600 24.9816 25.4899 -0.865389 25.4899 -15.3606 -11.1654 -0.865444 -11.1653 4.82445 GPRESSAVG: 859600 23.3043 26.0936 -0.277368 24.8359 -14.4084 -13.4268 -1.98397 -9.82116 5.58608 TIMING: 859600 CPU: 2561.38, 0.00299823/step Wall: 2561.38, 0.00299824/step, 3.4483 hours remaining, 207.472656 MB of memory in use. ENERGY: 859600 752.8153 2069.1582 1937.6203 108.2267 -205948.1034 17593.0704 0.0000 0.0000 34228.2899 -149258.9226 298.9242 -183487.2124 -149164.9084 299.0406 -153.0286 -120.7330 556502.6255 4.8151 4.8273 PRESSURE: 859800 -62.7672 26.4371 98.844 26.437 287.68 138.503 98.8447 138.503 190.526 GPRESSURE: 859800 -111.968 71.2153 60.7567 -23.7764 336.332 92.0464 149.887 167.924 280.863 PRESSAVG: 859800 -5.13272 -7.89654 30.0071 -7.89666 -23.0888 -32.916 30.0071 -32.916 22.7663 GPRESSAVG: 859800 -5.20429 -9.91629 29.8986 -6.12 -22.9647 -31.6775 31.2794 -33.0468 23.122 TIMING: 859800 CPU: 2561.97, 0.00297828/step Wall: 2561.97, 0.00297828/step, 3.42519 hours remaining, 207.472656 MB of memory in use. ENERGY: 859800 738.4337 2092.8779 1921.4486 122.7164 -206136.5422 17983.1027 0.0000 0.0000 34126.0738 -149151.8889 298.0315 -183277.9628 -149059.8844 299.1227 138.4794 168.4089 556039.2051 -1.8184 -1.6823 PRESSURE: 860000 177.945 179.433 -20.7273 179.433 -11.5566 64.8939 -20.7269 64.8943 -64.1279 GPRESSURE: 860000 219.042 212.751 -27.5307 255.382 32.4776 80.8765 -55.2724 66.4086 -53.5413 PRESSAVG: 860000 -32.6134 -11.5351 2.83799 -11.535 -30.9229 4.24386 2.83801 4.24376 30.5694 GPRESSAVG: 860000 -32.6408 -8.61883 1.92752 -11.5948 -31.8024 1.47745 2.18397 4.56916 31.5379 TIMING: 860000 CPU: 2562.57, 0.00298132/step Wall: 2562.57, 0.00298132/step, 3.42852 hours remaining, 207.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 860000 776.8289 2096.7075 1953.1034 109.7508 -206527.1690 17912.4679 0.0000 0.0000 34283.5526 -149394.7578 299.4068 -183678.3104 -149303.7969 298.9027 34.0867 65.9927 556640.4134 -10.9889 -10.9684 PRESSURE: 860200 -40.5006 3.37274 119.47 3.3725 -138.632 -58.24 119.47 -58.2393 101.859 GPRESSURE: 860200 -1.38434 11.5861 88.2677 -40.6465 -64.8454 -30.3308 114.029 -115.276 84.7333 PRESSAVG: 860200 -6.96084 17.5055 22.3727 17.5055 7.32261 20.0124 22.3728 20.0123 -8.42635 GPRESSAVG: 860200 -6.102 15.9686 23.5937 17.0127 7.61272 21.4603 24.0845 18.1322 -9.20308 TIMING: 860200 CPU: 2563.17, 0.00298863/step Wall: 2563.17, 0.00298863/step, 3.43675 hours remaining, 207.472656 MB of memory in use. ENERGY: 860200 718.5663 2043.8964 1931.4869 121.4409 -206100.6771 17650.6861 0.0000 0.0000 34035.3835 -149599.2171 297.2395 -183634.6006 -149498.3023 298.4822 -25.7580 6.1679 555663.6423 -2.6882 -2.5641 LDB: ============= START OF LOAD BALANCING ============== 2566.72 LDB: ============== END OF LOAD BALANCING =============== 2566.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2566.72 LDB: ============= START OF LOAD BALANCING ============== 2567.02 LDB: Largest compute 4796 load 0.026792 is 22.7% of average load 0.118101 LDB: Average compute 0.001721 is 1.5% of average load 0.118101 LDB: TIME 2567.02 LOAD: AVG 0.118101 MAX 0.206874 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.992 MB LDB: TIME 2567.02 LOAD: AVG 0.118101 MAX 0.206874 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.992 MB LDB: TIME 2567.02 LOAD: AVG 0.118101 MAX 0.206874 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.992 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2567.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2567.02 PRESSURE: 860400 36.9976 -70.9307 84.4243 -70.9287 147.035 -129.986 84.4242 -129.986 185.661 GPRESSURE: 860400 110.472 -102.87 103.202 -145.231 136.236 -47.6728 60.9289 -211.355 212.749 PRESSAVG: 860400 79.5898 -14.0558 45.1255 -14.0557 -36.5741 -25.0728 45.1255 -25.0727 -7.54425 GPRESSAVG: 860400 79.9038 -13.9256 45.9629 -15.4089 -36.9953 -25.9246 43.8715 -25.6863 -7.48052 TIMING: 860400 CPU: 2563.77, 0.00304753/step Wall: 2563.77, 0.00304753/step, 3.50432 hours remaining, 205.992188 MB of memory in use. ENERGY: 860400 734.9629 2074.1517 1933.2058 113.1000 -206526.2917 18027.9434 0.0000 0.0000 34109.4916 -149533.4363 297.8867 -183642.9278 -149443.9244 298.6234 123.2310 153.1524 556564.0664 11.8238 11.8093 PRESSURE: 860600 -96.1862 -26.7637 19.5596 -26.7641 -27.5009 183.806 19.5606 183.806 135.703 GPRESSURE: 860600 -27.3392 -0.948544 99.2667 36.9017 -1.70967 266.919 33.3733 150.937 154.483 PRESSAVG: 860600 -82.1416 4.39791 -14.806 4.39787 48.4674 2.52715 -14.8059 2.52713 -36.2176 GPRESSAVG: 860600 -81.4982 5.94967 -15.8395 5.27205 47.9618 2.59941 -12.6432 3.20148 -36.3534 TIMING: 860600 CPU: 2564.38, 0.00300912/step Wall: 2564.38, 0.00300912/step, 3.45999 hours remaining, 205.992188 MB of memory in use. ENERGY: 860600 732.0267 2071.0287 1930.5234 113.6553 -206206.4433 17715.9977 0.0000 0.0000 34017.1217 -149626.0898 297.0800 -183643.2115 -149524.9002 297.1449 4.0054 41.8113 557021.4978 -23.2973 -23.2966 PRESSURE: 860800 176.395 -17.0778 -138.348 -17.0785 179.78 -21.9002 -138.349 -21.9006 163.252 GPRESSURE: 860800 170.098 -61.2671 -65.198 -33.6458 234.769 12.5003 -117.343 -52.0836 203.608 PRESSAVG: 860800 -6.60884 -47.8432 11.1855 -47.8433 50.7788 -16.9738 11.1855 -16.9738 -23.012 GPRESSAVG: 860800 -7.73175 -49.5322 11.254 -46.4146 52.3337 -16.4015 11.0032 -14.7716 -23.6736 TIMING: 860800 CPU: 2564.98, 0.00299461/step Wall: 2564.98, 0.00299461/step, 3.44313 hours remaining, 205.992188 MB of memory in use. ENERGY: 860800 736.3026 2040.0763 1938.5143 120.7222 -206699.8841 18136.0397 0.0000 0.0000 34276.4978 -149451.7313 299.3452 -183728.2291 -149354.8326 298.0996 173.1423 202.8252 556546.0837 7.0526 6.9761 PRESSURE: 861000 333.144 -39.3762 201.456 -39.3769 133.602 207.206 201.455 207.206 140.226 GPRESSURE: 861000 343.374 -69.8705 220.487 107.972 116.766 215.088 226.432 264.88 251.868 PRESSAVG: 861000 10.1372 -25.103 5.84209 -25.1029 -14.3641 31.0539 5.84201 31.0538 -19.7034 GPRESSAVG: 861000 10.8821 -23.6821 5.97538 -25.9946 -15.6791 31.8162 6.14655 29.0986 -19.232 TIMING: 861000 CPU: 2565.57, 0.00298048/step Wall: 2565.57, 0.00298048/step, 3.42672 hours remaining, 205.992188 MB of memory in use. ENERGY: 861000 741.3029 2069.4000 1947.0795 105.2458 -206080.5778 17910.4212 0.0000 0.0000 34126.4281 -149180.7002 298.0346 -183307.1283 -149083.0824 299.2963 202.3241 237.3359 556955.4355 -7.9767 -8.0097 PRESSURE: 861200 -348.193 -69.2524 -181.832 -69.2529 5.95342 -67.7954 -181.833 -67.7945 -276.342 GPRESSURE: 861200 -306.344 -110.419 -143.005 -48.9998 35.554 -112.463 -131.408 -50.3117 -250.497 PRESSAVG: 861200 -17.623 21.8543 -3.00283 21.8543 17.5523 -6.74801 -3.00286 -6.74801 2.31156 GPRESSAVG: 861200 -17.5225 20.2543 -2.8562 20.502 17.2996 -6.57341 -3.94069 -4.67657 2.44735 TIMING: 861200 CPU: 2566.17, 0.00298482/step Wall: 2566.17, 0.00298482/step, 3.43155 hours remaining, 205.992188 MB of memory in use. ENERGY: 861200 713.0262 2118.9119 1920.4474 111.1160 -205690.4116 17399.3502 0.0000 0.0000 34198.3307 -149229.2292 298.6625 -183427.5599 -149128.7924 299.6836 -206.1936 -173.7622 558452.3046 0.7470 0.7415 PRESSURE: 861400 -305.797 101.939 -107.832 101.939 -135.564 86.4883 -107.831 86.4886 -202.769 GPRESSURE: 861400 -276.83 47.4201 -114.368 116.553 -86.0952 18.6871 -89.8043 136.226 -193.04 PRESSAVG: 861400 1.60833 -24.5183 -62.6665 -24.5182 -33.415 5.68566 -62.6666 5.68569 46.9097 GPRESSAVG: 861400 0.698973 -24.4765 -64.9752 -23.7892 -32.4776 4.27528 -63.5965 5.04813 47.8124 TIMING: 861400 CPU: 2566.76, 0.00297255/step Wall: 2566.76, 0.00297255/step, 3.41727 hours remaining, 205.992188 MB of memory in use. ENERGY: 861400 747.0338 2119.6205 1932.4724 109.6768 -205847.0468 17562.4327 0.0000 0.0000 34143.7112 -149232.0993 298.1855 -183375.8105 -149134.5241 299.8255 -214.7102 -185.3216 559110.3891 5.0344 5.3446 PRESSURE: 861600 -12.9657 -137.304 18.7039 -137.305 -209.993 2.64257 18.7032 2.64004 54.39 GPRESSURE: 861600 8.67066 -97.7262 25.1628 -142.74 -245.588 55.3377 80.1543 -48.2339 159.977 PRESSAVG: 861600 32.3121 3.38381 -38.5232 3.38381 -44.5954 33.4545 -38.5232 33.4545 4.03032 GPRESSAVG: 861600 31.369 3.56786 -36.3833 5.03894 -44.173 35.302 -39.4093 33.6586 4.5012 TIMING: 861600 CPU: 2567.36, 0.00297435/step Wall: 2567.36, 0.00297435/step, 3.41918 hours remaining, 205.992188 MB of memory in use. ENERGY: 861600 729.8378 2187.7068 1930.2670 119.9175 -206318.7370 17588.1882 0.0000 0.0000 34288.2832 -149474.5365 299.4481 -183762.8197 -149379.0247 299.4934 -56.1897 -25.6471 557034.2142 -2.7510 -2.7676 PRESSURE: 861800 -177.677 -2.44294 -29.0963 -2.44249 -87.0946 -196.865 -29.0966 -196.863 -80.0003 GPRESSURE: 861800 -162.572 -64.4524 -59.5981 31.0752 -59.6093 -218.811 -104.638 -76.9623 -40.4598 PRESSAVG: 861800 36.8894 -22.52 7.30768 -22.52 11.4295 -63.5489 7.3077 -63.5488 8.43276 GPRESSAVG: 861800 38.0109 -22.7863 7.8751 -23.9824 11.0937 -65.0357 8.04815 -64.1314 7.42573 TIMING: 861800 CPU: 2567.95, 0.00298166/step Wall: 2567.95, 0.00298166/step, 3.42742 hours remaining, 205.992188 MB of memory in use. ENERGY: 861800 745.5915 2112.4376 1912.8576 123.4969 -206384.6095 17746.9604 0.0000 0.0000 34140.9509 -149602.3146 298.1614 -183743.2655 -149505.7901 298.7917 -114.9241 -87.5472 558217.6106 18.9172 18.8434 PRESSURE: 862000 -234.491 -42.1769 -71.9889 -42.1758 -46.2357 2.05229 -71.989 2.05184 -234.461 GPRESSURE: 862000 -261.952 -24.6337 -76.481 -118.47 43.3902 -29.5948 -131.289 -28.5546 -194.774 PRESSAVG: 862000 -18.6557 1.17622 19.9921 1.17615 -17.7398 -46.262 19.9921 -46.2618 16.4161 GPRESSAVG: 862000 -17.8375 1.41472 18.8222 2.05448 -17.3649 -44.5945 20.4549 -46.4109 15.0303 TIMING: 862000 CPU: 2568.55, 0.00297644/step Wall: 2568.55, 0.00297644/step, 3.42126 hours remaining, 205.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 862000 705.9087 2144.1080 1945.1235 113.4026 -206171.6806 17535.7473 0.0000 0.0000 34045.9434 -149681.4470 297.3317 -183727.3904 -149585.0682 298.1318 -171.7293 -137.7786 557495.9822 -6.6598 -6.7241 PRESSURE: 862200 -28.6706 35.1749 -99.8431 35.1745 -215.835 95.8836 -99.8433 95.8837 -18.112 GPRESSURE: 862200 61.8295 47.8939 -85.3287 64.5613 -184.108 77.868 -62.2247 97.2467 -44.1665 PRESSAVG: 862200 5.4684 44.4277 -19.8835 44.4277 15.7263 -26.9352 -19.8834 -26.9353 -63.7534 GPRESSAVG: 862200 4.98947 43.6673 -20.7165 43.4998 15.6569 -27.3809 -19.9111 -26.6849 -62.9414 TIMING: 862200 CPU: 2569.14, 0.00293802/step Wall: 2569.14, 0.00293802/step, 3.37693 hours remaining, 205.992188 MB of memory in use. ENERGY: 862200 747.6085 2136.1340 1923.0509 107.9042 -206619.3301 17925.8015 0.0000 0.0000 34362.0693 -149416.7616 300.0925 -183778.8309 -149318.0769 297.6530 -87.5392 -55.4816 556632.8108 -14.1862 -14.0984 PRESSURE: 862400 74.7909 -100.517 164.664 -100.516 10.5043 117.23 164.664 117.231 -135.967 GPRESSURE: 862400 180.71 -114.582 198.588 -187.337 -13.0025 170.77 73.3777 149.263 -133.487 PRESSAVG: 862400 42.4859 -18.6446 29.8213 -18.6446 -10.9243 48.5677 29.8212 48.5676 -73.0147 GPRESSAVG: 862400 41.8103 -17.1243 29.2196 -19.2444 -11.3825 49.0827 30.7241 47.6657 -71.8192 TIMING: 862400 CPU: 2569.73, 0.00296575/step Wall: 2569.73, 0.00296575/step, 3.40864 hours remaining, 205.992188 MB of memory in use. ENERGY: 862400 740.1279 2150.2691 1949.6204 115.6548 -206374.8630 17771.6375 0.0000 0.0000 34289.4136 -149358.1397 299.4580 -183647.5532 -149261.1988 298.6368 -16.8907 11.4066 556702.8268 -13.8177 -13.7971 PRESSURE: 862600 -279.243 -28.7311 87.4929 -28.7327 -187.641 -32.4149 87.4935 -32.4161 -347.515 GPRESSURE: 862600 -264.39 -25.1059 31.1992 5.78636 -144.455 6.90199 109.158 -70.9004 -302.11 PRESSAVG: 862600 11.7201 -50.0187 71.3113 -50.0186 -2.15998 -14.07 71.3113 -14.0701 -31.124 GPRESSAVG: 862600 13.4972 -50.7852 73.4344 -50.1028 -3.34009 -15.2901 68.0482 -13.9581 -31.7489 TIMING: 862600 CPU: 2570.32, 0.00295726/step Wall: 2570.32, 0.00295726/step, 3.39871 hours remaining, 205.992188 MB of memory in use. ENERGY: 862600 730.9958 2132.9215 1951.7849 118.7649 -205966.2804 17372.7592 0.0000 0.0000 34223.1331 -149435.9209 298.8791 -183659.0540 -149346.0322 298.7286 -271.4663 -236.9854 557156.5484 -7.1880 -7.1972 PRESSURE: 862800 -98.8984 -37.068 -71.5549 -37.0683 -43.2866 -85.3827 -71.5555 -85.3831 60.5886 GPRESSURE: 862800 -39.9829 0.582194 -148.075 -84.562 -19.0744 -72.2899 -44.7066 -114.953 65.5666 PRESSAVG: 862800 -10.9742 -31.3022 35.1309 -31.3021 -0.733849 -1.03015 35.1309 -1.03026 9.04498 GPRESSAVG: 862800 -10.8888 -30.2058 33.6997 -29.5993 -0.122783 -0.560625 37.0948 1.04937 8.68578 TIMING: 862800 CPU: 2570.92, 0.00297276/step Wall: 2570.92, 0.00297276/step, 3.41636 hours remaining, 205.992188 MB of memory in use. ENERGY: 862800 754.9111 2101.9403 1918.3542 130.0560 -206435.6009 17868.5869 0.0000 0.0000 34207.5464 -149454.2061 298.7430 -183661.7524 -149359.8538 298.5889 -27.1988 2.1698 557085.2117 -0.8877 -0.7753 PRESSURE: 863000 -132.891 -48.9615 32.0163 -48.9614 -80.5646 14.8355 32.016 14.836 188.043 GPRESSURE: 863000 -149.731 -60.5798 6.45457 -46.805 30.1203 109.061 24.289 44.744 185.427 PRESSAVG: 863000 -6.25076 -0.190937 35.2549 -0.191012 32.4999 -16.4695 35.2549 -16.4696 40.1645 GPRESSAVG: 863000 -6.37979 -1.94546 35.9447 1.18001 32.5518 -16.722 37.2433 -17.788 40.5666 TIMING: 863000 CPU: 2571.51, 0.00296781/step Wall: 2571.51, 0.00296781/step, 3.41051 hours remaining, 205.992188 MB of memory in use. ENERGY: 863000 748.9810 2073.9298 1945.0385 112.5996 -206189.7750 17935.4499 0.0000 0.0000 33976.5974 -149397.1788 296.7261 -183373.7762 -149292.9938 298.4800 -8.4708 21.9386 557848.7507 22.1379 22.2462 PRESSURE: 863200 -327.15 -2.37351 67.1408 -2.37298 -314.371 -6.45371 67.1411 -6.45432 -164.324 GPRESSURE: 863200 -301.292 -6.90526 97.652 -12.0671 -293.015 28.7691 0.255258 -32.4455 -119.994 PRESSAVG: 863200 -12.0081 -2.528 40.599 -2.52791 -63.3728 22.2018 40.5991 22.2019 4.49526 GPRESSAVG: 863200 -12.5296 -0.346765 41.288 -5.31405 -62.7823 21.516 38.7414 22.9459 4.34018 TIMING: 863200 CPU: 2572.1, 0.00295895/step Wall: 2572.1, 0.00295895/step, 3.40017 hours remaining, 205.992188 MB of memory in use. ENERGY: 863200 749.2531 2088.7003 1953.4832 111.1867 -205683.1436 17188.8702 0.0000 0.0000 34288.4486 -149303.2015 299.4495 -183591.6502 -149210.7549 298.3465 -268.6150 -238.1004 557736.2188 -23.6286 -23.6572 PRESSURE: 863400 50.4314 -102.058 162.771 -102.059 -130.834 2.70612 162.772 2.7053 39.13 GPRESSURE: 863400 47.798 -159.321 191.05 -51.6659 -90.8852 70.2359 148.745 -6.14532 104.299 PRESSAVG: 863400 -4.39858 81.4543 34.9896 81.4543 -18.6412 -52.302 34.9894 -52.302 3.35492 GPRESSAVG: 863400 -5.29943 79.9748 35.6534 82.0228 -18.7523 -51.3044 34.6029 -52.1585 3.69884 TIMING: 863400 CPU: 2572.7, 0.00297696/step Wall: 2572.7, 0.00297696/step, 3.4207 hours remaining, 205.992188 MB of memory in use. ENERGY: 863400 747.7380 2065.8442 1947.4053 113.3859 -206267.7943 17717.2617 0.0000 0.0000 34391.8574 -149284.3018 300.3526 -183676.1592 -149181.4727 299.3211 -13.7574 20.4038 556882.1729 -6.5616 -6.7843 PRESSURE: 863600 207.147 51.7402 86.1357 51.7405 -180.213 -1.62167 86.135 -1.62096 -108.818 GPRESSURE: 863600 224.917 76.0578 17.8785 80.1367 -123.62 13.3636 114.39 100.49 -72.8533 PRESSAVG: 863600 17.8171 16.2916 -0.323656 16.2917 15.4094 -3.50032 -0.323722 -3.5003 -13.367 GPRESSAVG: 863600 17.79 17.4665 -0.707466 15.7362 16.1031 -3.99967 0.434964 -4.45061 -14.0724 TIMING: 863600 CPU: 2573.29, 0.0029752/step Wall: 2573.29, 0.0029752/step, 3.41851 hours remaining, 205.992188 MB of memory in use. ENERGY: 863600 754.8402 2058.0755 1899.0011 115.0837 -206104.9769 17813.8085 0.0000 0.0000 34220.4700 -149243.6980 298.8559 -183464.1680 -149146.9993 299.2217 -27.2947 9.4811 558076.2825 6.6198 6.6069 PRESSURE: 863800 -85.8652 -15.6038 41.2776 -15.6038 -159.78 188.909 41.2778 188.909 -163.692 GPRESSURE: 863800 -70.4301 -11.2684 -21.1257 -21.0204 -111.397 134.741 167.476 216.615 -122.191 PRESSAVG: 863800 -100.032 -12.9783 -19.9896 -12.9782 -4.82757 34.5635 -19.9895 34.5636 42.3194 GPRESSAVG: 863800 -99.2199 -13.1988 -18.218 -13.0761 -6.67687 36.8436 -21.6726 34.6228 43.6011 TIMING: 863800 CPU: 2573.89, 0.00297647/step Wall: 2573.89, 0.00297647/step, 3.4198 hours remaining, 205.992188 MB of memory in use. ENERGY: 863800 755.2136 2059.6655 1937.9472 122.5567 -205904.6288 17598.7046 0.0000 0.0000 34225.1523 -149205.3888 298.8968 -183430.5412 -149106.5177 298.9950 -136.4459 -101.3394 558992.3450 -20.8468 -20.7652 PRESSURE: 864000 56.1333 137.696 3.35552 137.695 -74.0933 54.593 3.35582 54.5934 -263.594 GPRESSURE: 864000 70.0129 171.311 -7.48405 21.5611 -61.4806 41.6261 -23.332 88.2784 -199.448 PRESSAVG: 864000 12.9409 -0.185994 20.6331 -0.185967 -12.8721 3.3077 20.6331 3.30763 -10.5106 GPRESSAVG: 864000 12.7706 -0.306839 20.4394 -0.110095 -12.0901 3.98637 21.313 3.91679 -11.9569 TIMING: 864000 CPU: 2574.49, 0.00301067/step Wall: 2574.49, 0.00301067/step, 3.45892 hours remaining, 205.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 864000 724.0640 2100.4200 1912.9101 113.1150 -206029.1930 17661.5413 0.0000 0.0000 34265.5587 -149251.5839 299.2496 -183517.1426 -149156.2648 299.0139 -93.8514 -63.6387 558011.4342 -3.4806 -3.7588 PRESSURE: 864200 -100.271 57.3296 -139.667 57.3302 -54.6267 62.3451 -139.666 62.3462 -87.37 GPRESSURE: 864200 -50.8763 49.4352 -174.98 -2.32121 -52.9943 -37.5482 -39.8654 59.8935 -42.4667 PRESSAVG: 864200 26.8869 -33.0474 -3.33646 -33.0475 -42.4843 -16.7326 -3.3365 -16.7325 6.15108 GPRESSAVG: 864200 24.996 -33.4557 -5.36845 -32.7695 -41.6153 -18.1207 -1.83916 -16.2536 6.83294 TIMING: 864200 CPU: 2575.09, 0.00299961/step Wall: 2575.09, 0.00299961/step, 3.44606 hours remaining, 205.992188 MB of memory in use. ENERGY: 864200 765.2749 2115.7337 1928.0644 104.6674 -206036.9544 17480.2019 0.0000 0.0000 34435.1352 -149207.8770 300.7306 -183643.0122 -149115.7301 299.5263 -80.7560 -48.7791 557647.5626 -3.1488 -3.2621 LDB: ============= START OF LOAD BALANCING ============== 2578.64 LDB: ============== END OF LOAD BALANCING =============== 2578.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2578.64 LDB: ============= START OF LOAD BALANCING ============== 2578.94 LDB: Largest compute 4773 load 0.027880 is 23.6% of average load 0.118163 LDB: Average compute 0.001713 is 1.4% of average load 0.118163 LDB: TIME 2578.94 LOAD: AVG 0.118163 MAX 0.207114 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.016 MB LDB: TIME 2578.94 LOAD: AVG 0.118163 MAX 0.207114 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.215 MB LDB: TIME 2578.94 LOAD: AVG 0.118163 MAX 0.207114 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.215 MB LDB: ============== END OF LOAD BALANCING =============== 2578.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2578.95 PRESSURE: 864400 -113.744 -159.577 7.87822 -159.577 -55.0758 164.902 7.87819 164.904 118.443 GPRESSURE: 864400 -85.761 -203.417 -37.5018 -123.335 -55.1768 116.424 48.1467 150.854 177.961 PRESSAVG: 864400 2.26131 18.6646 -20.2831 18.6645 -0.452625 -19.9834 -20.2831 -19.9835 40.8188 GPRESSAVG: 864400 3.49521 18.4971 -20.3373 18.9703 -1.77461 -20.3855 -20.3367 -21.0997 40.375 TIMING: 864400 CPU: 2575.7, 0.00304885/step Wall: 2575.7, 0.00304885/step, 3.50246 hours remaining, 206.503906 MB of memory in use. ENERGY: 864400 758.8835 2131.0817 1943.5948 117.5897 -206281.5508 17786.2155 0.0000 0.0000 34267.6073 -149276.5781 299.2675 -183544.1855 -149180.1234 299.0722 -16.7920 12.3410 558135.2151 14.2092 14.0319 PRESSURE: 864600 -202.01 48.2875 27.3865 48.2874 -348.561 -91.552 27.3846 -91.5506 -173.546 GPRESSURE: 864600 -221.079 95.6453 49.9319 -27.3605 -290.722 -119.635 25.6704 -59.9057 -126.059 PRESSAVG: 864600 -33.9306 -4.81515 -5.4977 -4.81504 31.5235 -24.3026 -5.49769 -24.3026 23.4008 GPRESSAVG: 864600 -34.8469 -3.92294 -5.95366 -7.96386 32.2024 -22.5085 -4.09943 -25.0883 23.1899 TIMING: 864600 CPU: 2576.3, 0.00302644/step Wall: 2576.3, 0.00302644/step, 3.47654 hours remaining, 206.503906 MB of memory in use. ENERGY: 864600 777.1066 2083.5643 1959.2811 110.4375 -205959.6253 17450.0080 0.0000 0.0000 34305.3036 -149273.9242 299.5967 -183579.2278 -149177.2202 299.4051 -241.3722 -212.6198 557349.5928 6.9979 6.8485 PRESSURE: 864800 28.9443 -110.11 -74.3015 -110.108 -438.365 -158.351 -74.3022 -158.35 -231.356 GPRESSURE: 864800 44.1839 -107.59 -38.508 -116.181 -384.584 -164.863 -63.1216 -100.227 -180.218 PRESSAVG: 864800 -43.5039 4.46304 23.7738 4.46304 -32.3967 -7.0202 23.7738 -7.02003 58.1483 GPRESSAVG: 864800 -43.7903 4.03543 25.6605 7.98454 -32.4558 -9.52792 20.3733 -5.80876 58.1864 TIMING: 864800 CPU: 2576.91, 0.00303678/step Wall: 2576.91, 0.00303678/step, 3.48825 hours remaining, 206.503906 MB of memory in use. ENERGY: 864800 731.1297 2059.6253 1944.8486 121.2235 -205965.5183 17558.4375 0.0000 0.0000 34308.8545 -149241.3992 299.6278 -183550.2536 -149141.6056 298.8246 -213.5925 -173.5393 558397.3003 -5.9174 -6.0199 PRESSURE: 865000 55.5438 -84.1893 -69.093 -84.1894 -460.208 -122.858 -69.0934 -122.861 -268.325 GPRESSURE: 865000 43.8992 1.84833 -65.1122 -49.742 -430.17 -46.3813 -74.8809 -135.607 -202.532 PRESSAVG: 865000 -39.2483 -8.96201 18.2269 -8.9619 0.502054 -26.723 18.2269 -26.723 46.5164 GPRESSAVG: 865000 -39.5247 -7.31824 16.796 -9.0568 1.1495 -25.8339 21.0853 -28.253 46.2204 TIMING: 865000 CPU: 2577.52, 0.00302596/step Wall: 2577.52, 0.00302596/step, 3.47565 hours remaining, 206.503906 MB of memory in use. ENERGY: 865000 770.0958 2094.3590 1927.6210 113.5833 -205927.1754 17486.6188 0.0000 0.0000 34364.0512 -149170.8463 300.1098 -183534.8975 -149069.8996 299.6945 -224.3300 -196.2678 558927.7496 2.5901 2.6151 PRESSURE: 865200 79.8099 -244.115 83.9639 -244.115 -355.038 -190.455 83.9642 -190.456 -63.8721 GPRESSURE: 865200 57.602 -193.557 13.8057 -238.255 -273.091 -112.937 94.9282 -197.428 -30.6898 PRESSAVG: 865200 37.9712 4.92677 25.6548 4.92664 -54.7508 -0.269718 25.6548 -0.269608 17.0308 GPRESSAVG: 865200 37.1091 4.88221 25.1278 3.58319 -54.998 -0.896783 24.5151 1.52596 17.6921 TIMING: 865200 CPU: 2578.12, 0.00299187/step Wall: 2578.12, 0.00299187/step, 3.43633 hours remaining, 206.503906 MB of memory in use. ENERGY: 865200 753.5506 2142.6682 1956.1500 110.5063 -206021.4500 17652.2266 0.0000 0.0000 34211.8798 -149194.4685 298.7809 -183406.3482 -149096.9399 299.7722 -113.0334 -82.0596 557982.3503 0.0837 -0.0656 PRESSURE: 865400 0.297254 -143.879 -235.587 -143.879 134.827 95.3529 -235.587 95.3518 -112.237 GPRESSURE: 865400 77.1896 -160.063 -287.975 -105.49 136.048 54.3461 -205.724 107.563 -97.1358 PRESSAVG: 865400 19.254 -25.6409 32.0711 -25.6408 -63.1855 10.161 32.071 10.1609 98.4616 GPRESSAVG: 865400 20.2082 -27.0957 33.2292 -25.6333 -62.3962 11.3602 30.7239 8.59167 97.3124 TIMING: 865400 CPU: 2578.71, 0.00297488/step Wall: 2578.71, 0.00297488/step, 3.41665 hours remaining, 206.503906 MB of memory in use. ENERGY: 865400 734.2410 2125.7426 1952.8901 112.8572 -205753.3955 17661.9358 0.0000 0.0000 33986.9913 -149178.7374 296.8168 -183165.7288 -149083.9914 298.8864 7.6289 38.7005 557114.4639 18.1767 18.3748 PRESSURE: 865600 196.881 -41.641 130.003 -41.6415 81.0226 -137.984 130.003 -137.984 177.501 GPRESSURE: 865600 244.286 -34.9017 181.59 -116.226 133.56 -195.13 67.469 -119.407 177.023 PRESSAVG: 865600 15.4779 -23.74 73.7743 -23.74 -47.8656 20.7684 73.7742 20.7684 10.8047 GPRESSAVG: 865600 14.1467 -23.2386 72.4477 -22.412 -48.2451 18.0401 74.9613 22.5587 12.2698 TIMING: 865600 CPU: 2579.31, 0.00298879/step Wall: 2579.31, 0.00298879/step, 3.43246 hours remaining, 206.503906 MB of memory in use. ENERGY: 865600 784.5250 2132.5111 1935.3795 111.6595 -206715.2992 18192.6818 0.0000 0.0000 34315.4624 -149243.0799 299.6855 -183558.5423 -149149.5596 298.9594 151.8015 184.9563 555862.4560 -7.1943 -7.2762 PRESSURE: 865800 175.489 51.7318 53.693 51.7308 -80.8 19.7352 53.6924 19.7358 67.4811 GPRESSURE: 865800 202.068 50.6552 -12.127 19.1407 22.8543 35.8552 106.47 -30.0047 52.6552 PRESSAVG: 865800 -14.2515 15.823 28.8909 15.8229 10.085 4.54833 28.891 4.54829 16.3946 GPRESSAVG: 865800 -12.7161 15.1078 28.2202 15.1411 9.3883 6.73619 28.2819 3.87994 16.6456 TIMING: 865800 CPU: 2579.91, 0.00300597/step Wall: 2579.91, 0.00300597/step, 3.45202 hours remaining, 206.503906 MB of memory in use. ENERGY: 865800 733.1896 2080.2738 1934.4673 110.9403 -206179.9228 17948.2313 0.0000 0.0000 34222.7943 -149150.0262 298.8762 -183372.8205 -149056.5042 299.7053 54.0568 92.5257 557766.5825 4.0760 4.4393 PRESSURE: 866000 9.04077 18.3959 -66.3992 18.3967 128.801 -87.859 -66.4002 -87.8585 85.3843 GPRESSURE: 866000 44.4155 -30.4599 -93.7503 75.3978 119.464 -63.7526 -63.0638 -96.6876 158.691 PRESSAVG: 866000 63.0659 6.42456 11.3031 6.42464 -9.58235 -50.9123 11.3031 -50.9122 -13.249 GPRESSAVG: 866000 62.6148 8.13776 13.0409 5.59457 -9.75455 -51.9401 11.9949 -51.9613 -13.0851 TIMING: 866000 CPU: 2580.51, 0.0030193/step Wall: 2580.51, 0.0030193/step, 3.46716 hours remaining, 206.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 866000 719.8135 2159.6014 1932.5820 109.5909 -206142.9523 17641.2791 0.0000 0.0000 34559.4539 -149020.6314 301.8163 -183580.0853 -148922.6483 299.5243 74.4085 107.5236 556176.6465 13.4115 13.2584 PRESSURE: 866200 91.008 -66.3317 -151.486 -66.3317 -159.704 -65.5218 -151.486 -65.5215 -67.5037 GPRESSURE: 866200 143.12 -142.544 -180.29 -40.7667 -145.886 -15.6572 -142.145 -26.0521 -29.6553 PRESSAVG: 866200 -6.31565 -38.7691 -44.3729 -38.7691 30.039 2.69886 -44.373 2.69892 -36.2929 GPRESSAVG: 866200 -6.01353 -39.8025 -44.1543 -37.5494 30.5126 3.68009 -47.129 2.85764 -36.8682 TIMING: 866200 CPU: 2581.12, 0.00301265/step Wall: 2581.12, 0.00301265/step, 3.45936 hours remaining, 206.503906 MB of memory in use. ENERGY: 866200 717.4276 2176.7874 1924.8404 106.8931 -206102.3172 17602.6688 0.0000 0.0000 34401.6286 -149172.0713 300.4380 -183573.6999 -149077.5111 300.0693 -45.3999 -10.8072 556176.0111 -4.1898 -4.1230 PRESSURE: 866400 -57.5401 -47.8096 -61.8386 -47.8093 29.902 114.87 -61.8381 114.87 -65.8699 GPRESSURE: 866400 -18.9492 18.7506 -83.2986 -89.8973 63.1461 128.981 -47.5575 50.2891 -36.0532 PRESSAVG: 866400 -11.5528 -37.7994 31.6136 -37.7994 20.0859 11.9729 31.6135 11.9728 9.93997 GPRESSAVG: 866400 -13.1061 -34.0212 31.4239 -39.5259 21.886 11.1316 33.4788 11.115 10.8424 TIMING: 866400 CPU: 2581.72, 0.00300132/step Wall: 2581.72, 0.00300132/step, 3.44618 hours remaining, 206.503906 MB of memory in use. ENERGY: 866400 720.1692 2180.0851 1907.9728 107.9818 -206103.4351 17779.4932 0.0000 0.0000 34250.0221 -149157.7109 299.1140 -183407.7330 -149069.0965 299.7838 -31.1693 2.7146 556260.8479 6.1577 6.5408 PRESSURE: 866600 57.7921 -123.438 217.022 -123.437 -233.72 -120.065 217.022 -120.065 -65.5007 GPRESSURE: 866600 101.534 -69.4074 104.362 -163.147 -133.067 -138.776 289.417 -93.2413 -115.776 PRESSAVG: 866600 39.6369 -26.666 16.6062 -26.666 -103.994 64.58 16.606 64.58 53.5003 GPRESSAVG: 866600 40.9212 -28.9428 15.9142 -25.7502 -104.863 65.7597 18.8747 65.186 53.1048 TIMING: 866600 CPU: 2582.32, 0.00301489/step Wall: 2582.32, 0.00301489/step, 3.4616 hours remaining, 206.503906 MB of memory in use. ENERGY: 866600 689.4942 2126.1759 1915.6325 98.7676 -205961.5692 17411.9769 0.0000 0.0000 34389.2301 -149330.2919 300.3297 -183719.5220 -149241.8866 299.9291 -80.4762 -49.1029 555898.9808 -3.6191 -3.6123 PRESSURE: 866800 278.59 -22.861 -95.3024 -22.8608 152.726 -145.072 -95.3031 -145.073 -21.4178 GPRESSURE: 866800 296.113 1.34914 -83.2246 -68.9232 162.821 -60.376 -58.0258 -287.208 55.5477 PRESSAVG: 866800 11.7959 -50.5005 35.3458 -50.5005 -56.012 14.2497 35.3458 14.2496 18.4292 GPRESSAVG: 866800 11.9586 -49.7901 33.9734 -51.0302 -56.5269 14.4458 34.362 14.6214 18.7805 TIMING: 866800 CPU: 2582.92, 0.00301549/step Wall: 2582.92, 0.00301549/step, 3.46212 hours remaining, 206.503906 MB of memory in use. ENERGY: 866800 755.3110 2104.4964 1909.0526 110.9789 -206500.0649 18022.8805 0.0000 0.0000 34221.0028 -149376.3427 298.8605 -183597.3455 -149278.9493 299.1146 136.6329 171.4939 554833.2868 -8.5956 -8.5959 PRESSURE: 867000 49.0728 -90.3421 -71.2381 -90.3422 -19.4053 293.1 -71.2383 293.099 -259.345 GPRESSURE: 867000 71.8033 -140.051 -81.7865 -57.6042 49.8043 281.545 12.5269 241.384 -257.865 PRESSAVG: 867000 51.613 -33.7465 -31.8347 -33.7466 -45.6467 40.8195 -31.8347 40.8194 16.7261 GPRESSAVG: 867000 50.5523 -33.9324 -29.1691 -32.5469 -44.8871 41.0097 -33.0582 38.9363 16.8561 TIMING: 867000 CPU: 2583.52, 0.00299648/step Wall: 2583.52, 0.00299648/step, 3.44013 hours remaining, 206.503906 MB of memory in use. ENERGY: 867000 792.9971 2081.9186 1900.9860 119.5494 -206523.7693 17911.6827 0.0000 0.0000 34472.0769 -149244.5586 301.0532 -183716.6355 -149143.1536 300.0435 -76.5590 -45.4193 556635.5987 7.5641 7.5071 PRESSURE: 867200 201.485 65.2743 -80.2879 65.2741 -189.142 51.2636 -80.289 51.2648 301.152 GPRESSURE: 867200 253.47 80.9835 -14.2188 76.3786 -200.962 27.0824 -165.384 27.73 337.474 PRESSAVG: 867200 93.7976 16.4414 29.7192 16.4414 -10.136 -3.61297 29.7193 -3.6129 -54.3667 GPRESSAVG: 867200 94.9362 15.8552 28.4542 15.6763 -11.6452 -4.27207 29.8782 -3.36517 -54.5566 TIMING: 867200 CPU: 2584.11, 0.00296075/step Wall: 2584.11, 0.00296075/step, 3.39894 hours remaining, 206.503906 MB of memory in use. ENERGY: 867200 738.9794 2129.5117 1942.5308 116.6387 -206435.5625 18045.8822 0.0000 0.0000 34266.7387 -149195.2811 299.2600 -183462.0197 -149098.1235 299.1997 104.4984 129.9943 557834.7910 9.7650 9.5782 PRESSURE: 867400 171.339 -156.914 -40.2059 -156.915 -387.515 -14.0532 -40.2062 -14.0509 -242.986 GPRESSURE: 867400 179.496 -138.955 -19.0616 -231.474 -314.666 12.0132 -47.9839 2.63382 -230.991 PRESSAVG: 867400 6.84762 47.0267 -0.811068 47.0266 -4.54116 -32.9965 -0.810995 -32.9965 29.3447 GPRESSAVG: 867400 6.396 44.7104 -0.250531 47.6407 -4.94744 -34.4774 0.781819 -29.9092 30.5576 TIMING: 867400 CPU: 2584.71, 0.00296403/step Wall: 2584.71, 0.00296403/step, 3.40254 hours remaining, 206.503906 MB of memory in use. ENERGY: 867400 731.1612 2159.6907 1957.2419 115.1870 -206274.4921 17747.6492 0.0000 0.0000 34256.5969 -149306.9653 299.1714 -183563.5622 -149215.2786 299.3704 -153.0539 -122.0536 557921.1708 10.5504 10.6687 PRESSURE: 867600 -103.255 52.0087 8.85679 52.0085 160.019 59.579 8.85759 59.5786 -280.799 GPRESSURE: 867600 -78.253 44.2841 5.0893 144.538 147.556 72.9147 38.6164 102.51 -204.144 PRESSAVG: 867600 23.2895 29.146 -0.512541 29.1458 6.80806 46.7437 -0.51251 46.7438 -21.376 GPRESSAVG: 867600 22.723 31.4153 -0.651917 29.6234 7.44899 47.8075 -1.11153 47.5693 -21.2389 TIMING: 867600 CPU: 2585.3, 0.00297722/step Wall: 2585.3, 0.00297722/step, 3.41752 hours remaining, 206.503906 MB of memory in use. ENERGY: 867600 708.5518 2085.6055 1929.7040 122.3373 -205937.5566 17655.1263 0.0000 0.0000 34277.1066 -149159.1251 299.3505 -183436.2317 -149059.5013 299.0407 -74.6785 -44.9471 557876.6330 2.9072 2.9777 PRESSURE: 867800 -144.464 59.9412 4.61078 59.9407 -121.164 58.1704 4.61087 58.1708 -347.566 GPRESSURE: 867800 -122.41 98.4387 -58.9749 -34.054 -141.911 49.4913 13.1841 44.0718 -251.312 PRESSAVG: 867800 27.2174 -17.9166 8.71645 -17.9167 -43.0552 60.6551 8.71638 60.655 64.1624 GPRESSAVG: 867800 27.4586 -18.1738 7.46356 -20.3647 -42.5134 61.2512 8.78469 58.8094 63.4682 TIMING: 867800 CPU: 2585.9, 0.00299396/step Wall: 2585.9, 0.00299396/step, 3.43656 hours remaining, 206.503906 MB of memory in use. ENERGY: 867800 750.7445 2149.0723 1927.7621 111.7944 -206066.0575 17515.8928 0.0000 0.0000 34617.9492 -148992.8422 302.3272 -183610.7914 -148899.3555 300.2183 -204.3976 -171.8779 557224.4411 16.1082 16.1378 PRESSURE: 868000 24.29 150.641 114.64 150.642 305.512 -21.2294 114.638 -21.2317 126.691 GPRESSURE: 868000 45.8593 -9.90488 92.9547 209.164 300.888 21.4953 41.5505 -53.8853 202.722 PRESSAVG: 868000 -5.66902 -16.3797 -23.4338 -16.3798 17.1969 -12.321 -23.4338 -12.321 25.0728 GPRESSAVG: 868000 -5.52679 -16.4242 -22.5793 -15.0402 16.7425 -12.3239 -24.1931 -12.1882 25.3606 TIMING: 868000 CPU: 2586.49, 0.00296994/step Wall: 2586.49, 0.00296994/step, 3.40883 hours remaining, 206.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 868000 700.7314 2098.6960 1957.1528 102.2120 -206073.6824 17876.5723 0.0000 0.0000 34283.7260 -149054.5921 299.4083 -183338.3180 -148957.3128 300.4975 152.1643 183.1562 557372.1555 12.2002 12.1921 PRESSURE: 868200 -42.8231 -47.7882 -13.5079 -47.787 -46.2199 -26.7999 -13.5079 -26.8012 -133.196 GPRESSURE: 868200 24.8282 -118.868 -48.3775 23.7095 -9.42753 -72.5393 60.5139 -38.9063 -135.052 PRESSAVG: 868200 -23.4188 82.0625 47.7027 82.0625 46.8027 -31.5133 47.7028 -31.5134 -42.4302 GPRESSAVG: 868200 -22.8451 80.028 47.4261 82.6635 45.8187 -32.5932 46.3215 -32.7321 -41.5821 TIMING: 868200 CPU: 2587.09, 0.00298062/step Wall: 2587.09, 0.00298062/step, 3.42093 hours remaining, 206.503906 MB of memory in use. ENERGY: 868200 764.1094 2124.0581 1944.7997 120.5930 -205596.3049 17641.6777 0.0000 0.0000 34077.2418 -148923.8253 297.6050 -183001.0670 -148834.2218 299.8094 -74.0797 -39.8839 556576.5799 -6.3488 -6.2028 LDB: ============= START OF LOAD BALANCING ============== 2590.64 LDB: ============== END OF LOAD BALANCING =============== 2590.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2590.64 LDB: ============= START OF LOAD BALANCING ============== 2590.94 LDB: Largest compute 4796 load 0.026743 is 22.6% of average load 0.118108 LDB: Average compute 0.001720 is 1.5% of average load 0.118108 LDB: TIME 2590.94 LOAD: AVG 0.118108 MAX 0.205675 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.277 MB LDB: TIME 2590.94 LOAD: AVG 0.118108 MAX 0.205675 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.277 MB LDB: TIME 2590.94 LOAD: AVG 0.118108 MAX 0.205675 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.277 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2590.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2590.95 PRESSURE: 868400 56.2858 81.5569 311.386 81.5568 -191.689 29.0549 311.386 29.0547 8.8756 GPRESSURE: 868400 96.94 92.2755 247.09 19.9694 -178.114 90.7566 314.559 7.60202 44.382 PRESSAVG: 868400 3.5728 23.501 76.1174 23.5011 -30.1154 -24.02 76.1174 -24.0201 55.1551 GPRESSAVG: 868400 2.68259 25.2107 76.4782 23.2231 -28.6889 -22.8865 77.8029 -22.4029 54.6283 TIMING: 868400 CPU: 2587.7, 0.0030319/step Wall: 2587.7, 0.0030319/step, 3.47961 hours remaining, 206.703125 MB of memory in use. ENERGY: 868400 751.4735 2118.6048 1964.8581 116.2776 -206006.4331 17705.8254 0.0000 0.0000 34530.1504 -148819.2433 301.5604 -183349.3937 -148717.1671 300.2647 -42.1758 -12.2641 559530.2557 9.5375 9.5407 PRESSURE: 868600 -288.22 98.3962 -39.4523 98.3952 -318.161 -19.9121 -39.4527 -19.9134 -300.429 GPRESSURE: 868600 -276.647 169.186 -75.3571 96.8532 -249.01 -47.288 -116.477 -97.3631 -290.268 PRESSAVG: 868600 1.00114 11.2259 -14.9728 11.226 -21.4321 -13.9092 -14.9729 -13.9091 37.4517 GPRESSAVG: 868600 2.95442 8.89491 -14.0566 11.7912 -22.4809 -13.3327 -16.8462 -13.2504 36.2507 TIMING: 868600 CPU: 2588.29, 0.00297181/step Wall: 2588.29, 0.00297181/step, 3.41049 hours remaining, 206.703125 MB of memory in use. ENERGY: 868600 777.3587 2154.2061 1935.5073 123.7171 -205461.5052 17337.8171 0.0000 0.0000 34052.8067 -149080.0922 297.3916 -183132.8988 -148972.3010 300.5574 -302.2703 -271.9752 559553.4041 5.6736 5.5747 PRESSURE: 868800 -68.0253 -33.2881 -35.8204 -33.2867 -75.1775 99.8092 -35.82 99.8101 -165.876 GPRESSURE: 868800 -58.0636 -15.3631 44.2375 -19.7757 -89.3794 165.622 6.1338 105.015 -65.1644 PRESSAVG: 868800 -18.1486 -8.52257 4.7927 -8.52247 -56.2346 -54.8701 4.79257 -54.8701 95.5283 GPRESSAVG: 868800 -19.1704 -7.56097 3.5586 -8.12723 -56.2436 -55.7497 6.76347 -54.0222 96.6864 TIMING: 868800 CPU: 2588.88, 0.00294074/step Wall: 2588.88, 0.00294074/step, 3.37467 hours remaining, 206.703125 MB of memory in use. ENERGY: 868800 741.4624 2135.8134 1949.8890 129.0638 -206324.7818 17794.1688 0.0000 0.0000 34320.3910 -149253.9935 299.7285 -183574.3845 -149151.1000 299.8436 -103.0265 -70.8692 558161.1093 7.0484 7.0908 PRESSURE: 869000 207.216 26.4541 41.5974 26.455 -163.124 103.299 41.5956 103.299 -112.198 GPRESSURE: 869000 226.103 -57.1248 95.7063 63.4896 -98.328 158.054 -32.717 -21.9181 -111.372 PRESSAVG: 869000 49.7325 -3.05212 23.4768 -3.05211 -45.3636 20.1345 23.4768 20.1345 -7.31319 GPRESSAVG: 869000 49.1272 -3.32045 22.424 -1.77749 -43.9319 20.4005 24.3715 17.2647 -8.93728 TIMING: 869000 CPU: 2589.47, 0.00296599/step Wall: 2589.47, 0.00296599/step, 3.40348 hours remaining, 206.703125 MB of memory in use. ENERGY: 869000 748.3343 2086.6313 1956.4487 137.8251 -205970.1449 17573.1602 0.0000 0.0000 34405.7128 -149062.0324 300.4736 -183467.7452 -148959.5401 299.3905 -22.7018 5.4676 558187.1408 -0.9814 -1.2473 PRESSURE: 869200 -3.35943 75.1645 -30.1869 75.164 -134.469 -19.228 -30.187 -19.2271 128.319 GPRESSURE: 869200 -6.48736 -38.0841 23.9405 96.5639 -95.8239 -119.298 -38.269 88.6911 181.359 PRESSAVG: 869200 11.409 -0.400375 21.5247 -0.400355 -40.6317 10.4079 21.5246 10.4079 54.6164 GPRESSAVG: 869200 12.0941 -2.0512 21.8133 -0.935842 -39.8321 12.8413 21.2756 12.0669 53.2048 TIMING: 869200 CPU: 2590.07, 0.0029699/step Wall: 2590.07, 0.0029699/step, 3.40779 hours remaining, 206.703125 MB of memory in use. ENERGY: 869200 711.0038 2141.5171 1957.3018 118.2691 -206133.2216 17881.2082 0.0000 0.0000 34198.8824 -149125.0391 298.6673 -183323.9216 -149033.1532 299.9749 -3.1698 26.3494 558243.9749 8.4645 8.4889 PRESSURE: 869400 157.023 70.3291 -126.762 70.3271 169.386 -107.749 -126.762 -107.749 278.87 GPRESSURE: 869400 173.922 118.903 -123.846 122.901 247.643 -100.604 -81.9462 9.31051 281.549 PRESSAVG: 869400 -66.5743 51.0585 -24.7855 51.0585 1.71323 18.3396 -24.7855 18.3397 63.8286 GPRESSAVG: 869400 -67.6211 53.8273 -24.7787 50.263 1.16475 15.7693 -24.1456 17.67 65.2834 TIMING: 869400 CPU: 2590.67, 0.00300542/step Wall: 2590.67, 0.00300542/step, 3.44839 hours remaining, 206.703125 MB of memory in use. ENERGY: 869400 739.9773 2106.5055 1966.1833 105.6133 -206568.2867 18038.9188 0.0000 0.0000 34538.7822 -149072.3064 301.6358 -183611.0885 -148977.9021 299.6137 201.7596 234.3715 557740.3149 -0.3441 -0.3910 PRESSURE: 869600 -121.447 -45.7155 -110.484 -45.7152 -153.4 55.3914 -110.485 55.3905 -53.4305 GPRESSURE: 869600 -111.019 -147.555 -70.3705 85.5647 -86.5436 98.0344 -170.865 54.0767 -21.9273 PRESSAVG: 869600 -23.2889 1.20657 9.09388 1.20656 -7.72032 -18.2043 9.09387 -18.2042 50.9509 GPRESSAVG: 869600 -22.2715 0.192833 8.67928 1.74279 -8.48499 -19.8814 7.94878 -17.3252 50.8132 TIMING: 869600 CPU: 2591.27, 0.00300158/step Wall: 2591.27, 0.00300158/step, 3.44381 hours remaining, 206.703125 MB of memory in use. ENERGY: 869600 785.1994 2109.0404 1942.5181 107.6985 -206178.6420 17951.5132 0.0000 0.0000 34333.0018 -148949.6706 299.8386 -183282.6723 -148859.6028 300.0851 -109.4261 -73.1633 559501.0411 6.6472 6.6856 PRESSURE: 869800 291.917 -38.3615 -154.165 -38.3614 27.6409 -65.4541 -154.165 -65.4537 58.6936 GPRESSURE: 869800 293.433 -119.075 -164.365 10.9525 56.3503 -73.8917 -130.623 12.6038 125.905 PRESSAVG: 869800 22.2088 50.2845 -27.183 50.2845 -18.0699 -12.6298 -27.183 -12.6299 34.4369 GPRESSAVG: 869800 21.0155 51.5229 -26.7549 49.4648 -17.9654 -11.798 -29.1951 -12.3764 35.3655 TIMING: 869800 CPU: 2591.87, 0.00300682/step Wall: 2591.87, 0.00300682/step, 3.44966 hours remaining, 206.703125 MB of memory in use. ENERGY: 869800 731.9310 2145.1312 1960.4948 105.8988 -206239.1306 18043.2829 0.0000 0.0000 34212.3021 -149040.0898 298.7845 -183252.3919 -148950.3271 300.2011 126.0840 158.5627 558893.9965 12.8586 12.8052 PRESSURE: 870000 89.9129 -44.4032 -17.9478 -44.4019 144.615 -88.8494 -17.9475 -88.8502 324.574 GPRESSURE: 870000 106.455 -67.3348 -32.8951 9.63512 157.357 -181.678 -16.9596 -20.8715 381.069 PRESSAVG: 870000 -2.61026 -31.0648 -36.6348 -31.0649 -0.108215 -89.8362 -36.6347 -89.8363 31.9356 GPRESSAVG: 870000 -2.18257 -32.1072 -36.5351 -31.2425 1.64224 -89.1451 -35.2887 -92.148 29.8112 TIMING: 870000 CPU: 2592.47, 0.00298036/step Wall: 2592.47, 0.00298036/step, 3.41914 hours remaining, 206.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 870000 746.7859 2078.5524 1961.1830 115.9705 -206262.8621 18038.3772 0.0000 0.0000 34424.2623 -148897.7307 300.6356 -183321.9930 -148808.5177 300.0525 186.3674 214.9606 556296.5881 9.7391 9.7569 PRESSURE: 870200 -29.9604 7.98639 61.6362 7.98817 -117.778 48.2348 61.6359 48.2355 -366.431 GPRESSURE: 870200 5.29183 50.0077 -37.3148 26.9851 -98.9893 82.6017 61.6904 17.5738 -311.907 PRESSAVG: 870200 11.5286 -7.39499 -27.8796 -7.39494 25.8683 9.87267 -27.8795 9.87263 -23.6689 GPRESSAVG: 870200 11.928 -8.15981 -28.4705 -5.7159 23.5184 11.2472 -27.3019 10.4244 -21.6488 TIMING: 870200 CPU: 2593.06, 0.00298057/step Wall: 2593.06, 0.00298057/step, 3.41921 hours remaining, 206.703125 MB of memory in use. ENERGY: 870200 732.9496 2079.5544 1935.7006 110.2603 -205273.7395 17391.4997 0.0000 0.0000 34220.8037 -148802.9712 298.8588 -183023.7749 -148701.9845 300.1719 -171.3896 -135.2015 558433.6898 4.5760 4.5992 PRESSURE: 870400 0.790991 -14.2254 80.7135 -14.225 -75.5497 -177.155 80.7139 -177.156 162.966 GPRESSURE: 870400 -3.38195 -1.05955 61.6933 -7.9839 -52.4717 -217.896 161.655 -267.524 236.009 PRESSAVG: 870400 -8.81931 -25.4861 -5.92674 -25.4862 -16.3755 19.9573 -5.92673 19.9573 16.5367 GPRESSAVG: 870400 -9.28167 -25.7492 -5.04064 -24.7543 -15.8836 18.1504 -6.71139 20.4128 16.8174 TIMING: 870400 CPU: 2593.66, 0.00298145/step Wall: 2593.66, 0.00298145/step, 3.42006 hours remaining, 206.703125 MB of memory in use. ENERGY: 870400 728.8958 2060.4562 1945.1466 116.7974 -205885.0119 17804.5646 0.0000 0.0000 34373.3066 -148855.8448 300.1906 -183229.1514 -148762.1449 300.0317 29.4025 60.0516 557217.6613 -2.8861 -2.7826 PRESSURE: 870600 40.7305 -112.002 71.053 -112.001 -163.299 28.6216 71.0524 28.6227 93.8021 GPRESSURE: 870600 42.1874 -114.914 109.517 -164.15 -112.301 35.8487 0.318236 -22.7409 135.728 PRESSAVG: 870600 -16.0833 -7.81165 24.6805 -7.81177 -59.9216 34.5255 24.6804 34.5256 139.929 GPRESSAVG: 870600 -15.7414 -7.91206 23.3265 -9.30755 -58.8385 35.2662 24.379 34.9463 138.245 TIMING: 870600 CPU: 2594.25, 0.0029792/step Wall: 2594.25, 0.0029792/step, 3.41731 hours remaining, 206.703125 MB of memory in use. ENERGY: 870600 711.9552 2012.1745 1951.8972 120.3096 -205690.3332 17566.6107 0.0000 0.0000 34405.1512 -148922.2347 300.4687 -183327.3859 -148821.2578 300.4601 -9.5889 21.8713 557182.0060 21.3081 21.2217 PRESSURE: 870800 -130.627 -40.5563 -118.515 -40.5571 -129.409 -15.7608 -118.515 -15.7609 32.8677 GPRESSURE: 870800 -127.229 -41.3123 -143.152 -95.7037 -105.703 -58.6926 -110.904 -37.4393 104.629 PRESSAVG: 870800 -45.0691 2.86484 -5.98574 2.86476 -90.0466 -21.4406 -5.98573 -21.4407 107.604 GPRESSAVG: 870800 -44.2156 2.95732 -3.66081 2.58241 -91.0103 -20.8294 -6.21765 -23.0761 108.064 TIMING: 870800 CPU: 2594.85, 0.00298454/step Wall: 2594.85, 0.00298454/step, 3.42327 hours remaining, 206.703125 MB of memory in use. ENERGY: 870800 716.9068 2091.8261 1945.7045 112.4465 -205728.8837 17519.7844 0.0000 0.0000 34461.4843 -148880.7310 300.9607 -183342.2153 -148784.4940 300.3461 -75.7227 -42.7678 557608.2574 -9.1705 -9.0540 PRESSURE: 871000 265.49 -40.3639 -160.179 -40.364 -150.066 51.4877 -160.179 51.4886 42.5498 GPRESSURE: 871000 322.571 -11.2435 -115.676 -33.1829 -181.874 35.1848 -133.023 15.9902 108.151 PRESSAVG: 871000 -28.6071 12.1717 -34.0746 12.1718 -21.1399 -0.779802 -34.0746 -0.779762 52.1669 GPRESSAVG: 871000 -29.9398 11.6306 -37.3424 12.6142 -21.2653 -1.06489 -32.19 0.115315 53.7885 TIMING: 871000 CPU: 2595.44, 0.00296172/step Wall: 2595.44, 0.00296172/step, 3.39693 hours remaining, 206.703125 MB of memory in use. ENERGY: 871000 731.6587 2094.3130 1943.3958 110.9915 -205944.7192 17763.7012 0.0000 0.0000 34436.9415 -148863.7176 300.7464 -183300.6591 -148764.9029 300.7972 52.6580 82.9493 557271.3497 0.8066 0.8611 PRESSURE: 871200 87.7579 2.45655 58.9419 2.45659 299.965 -27.8918 58.9421 -27.8904 -74.8026 GPRESSURE: 871200 127.936 8.58468 51.4153 74.6602 304.461 -48.4471 -9.95443 -33.5282 -35.8628 PRESSAVG: 871200 -90.7465 18.6617 -14.1672 18.6617 -31.7758 32.999 -14.1673 32.999 72.1311 GPRESSAVG: 871200 -89.2176 21.015 -11.6334 18.3657 -31.902 32.4319 -16.2747 34.1851 70.4405 TIMING: 871200 CPU: 2596.04, 0.00297944/step Wall: 2596.04, 0.00297944/step, 3.41708 hours remaining, 206.703125 MB of memory in use. ENERGY: 871200 764.7907 2083.3169 1948.2622 102.0700 -206216.3645 17974.3474 0.0000 0.0000 34455.2866 -148888.2906 300.9066 -183343.5772 -148788.4301 300.6790 104.3066 132.1781 556297.8880 -16.7971 -16.8931 PRESSURE: 871400 -111.568 -114.687 -64.8002 -114.686 -173.729 71.5123 -64.8007 71.5117 263.663 GPRESSURE: 871400 -77.6385 -156.974 -42.2906 0.397924 -157.071 56.3914 -90.7639 55.0484 314.277 PRESSAVG: 871400 -46.9456 2.62183 -1.27908 2.62194 -33.062 54.2283 -1.27904 54.2283 31.2799 GPRESSAVG: 871400 -45.7497 2.87186 -1.58999 3.98161 -33.3438 55.5946 2.16111 52.751 31.051 TIMING: 871400 CPU: 2596.63, 0.00293565/step Wall: 2596.63, 0.00293565/step, 3.3667 hours remaining, 206.703125 MB of memory in use. ENERGY: 871400 749.2804 2088.4884 1927.7795 118.8364 -205863.6899 17621.8954 0.0000 0.0000 34324.0820 -149033.3277 299.7607 -183357.4097 -148930.3389 300.5190 -7.2114 26.5226 557842.0479 -16.2426 -16.0142 PRESSURE: 871600 122.723 -106.737 10.9044 -106.737 140.864 -130.204 10.905 -130.205 618.124 GPRESSURE: 871600 142.71 -149.898 -16.6566 -134.703 181.741 -158.637 26.3917 -152.476 660.187 PRESSAVG: 871600 7.66613 -37.3268 -10.7917 -37.3268 -45.1878 20.2512 -10.7917 20.2512 -5.43468 GPRESSAVG: 871600 6.31811 -41.1513 -10.1853 -36.5555 -45.181 21.1269 -11.7463 19.4709 -3.92443 TIMING: 871600 CPU: 2597.22, 0.00295744/step Wall: 2597.22, 0.00295743/step, 3.39152 hours remaining, 206.703125 MB of memory in use. ENERGY: 871600 702.7288 2079.8180 1918.0117 112.6407 -206635.1188 18164.3905 0.0000 0.0000 34571.8449 -149085.6841 301.9245 -183657.5290 -148993.2095 300.2745 293.9040 328.2126 555112.4371 -14.3188 -14.2624 PRESSURE: 871800 -90.1518 -76.9821 -144.746 -76.9827 -229.419 -60.6571 -144.747 -60.6597 315.888 GPRESSURE: 871800 -53.2325 -14.1067 -134.822 -108.314 -200.96 -42.583 -165.294 -56.0335 346.871 PRESSAVG: 871800 -21.9514 -32.8833 -26.335 -32.8833 -13.5295 86.9789 -26.335 86.9789 53.58 GPRESSAVG: 871800 -21.2886 -30.6 -26.0466 -33.3752 -14.459 86.6794 -27.6379 87.2194 53.9456 TIMING: 871800 CPU: 2597.81, 0.00296601/step Wall: 2597.81, 0.00296601/step, 3.40119 hours remaining, 206.703125 MB of memory in use. ENERGY: 871800 734.0628 2112.7139 1919.8858 119.1936 -206173.5874 17704.6196 0.0000 0.0000 34429.2735 -149153.8382 300.6794 -183583.1117 -149053.5874 299.4403 -1.2277 30.8927 555040.9393 6.0330 6.0660 PRESSURE: 872000 -127.198 -92.4876 -14.1208 -92.4869 70.9079 -173.689 -14.1215 -173.688 74.792 GPRESSURE: 872000 -84.4585 -54.5859 -140.931 -52.9658 78.6042 -201.354 51.3111 -199.288 110.912 PRESSAVG: 872000 -15.3155 -2.23163 31.8164 -2.23169 -45.0869 -9.19358 31.8164 -9.1936 96.8338 GPRESSAVG: 872000 -14.9344 -2.90675 31.0149 -1.92045 -43.8217 -11.2506 33.5023 -8.95345 95.2727 TIMING: 872000 CPU: 2598.41, 0.0030024/step Wall: 2598.41, 0.0030024/step, 3.44275 hours remaining, 206.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 872000 729.4707 2116.7563 1916.1943 119.8295 -205891.7198 17765.2426 0.0000 0.0000 33904.8835 -149339.3430 296.0998 -183244.2264 -149247.2364 299.4829 6.1674 35.0192 557104.2908 12.1438 12.1722 PRESSURE: 872200 -46.1269 52.6711 -149.826 52.6715 122.28 75.0183 -149.827 75.0162 81.0412 GPRESSURE: 872200 5.31353 72.3233 -118.747 119.923 101.185 99.9213 -225.047 49.3669 141.036 PRESSAVG: 872200 -56.957 -10.6073 -19.3639 -10.6073 5.46802 -18.43 -19.3638 -18.4301 12.701 GPRESSAVG: 872200 -57.5213 -9.06342 -19.4046 -10.1483 5.24505 -16.5642 -20.683 -20.2644 13.1582 TIMING: 872200 CPU: 2599.02, 0.00305726/step Wall: 2599.02, 0.00305726/step, 3.50549 hours remaining, 206.703125 MB of memory in use. ENERGY: 872200 774.9707 2101.3050 1915.1799 109.2364 -206576.0128 18029.6030 0.0000 0.0000 34441.3005 -149204.4173 300.7844 -183645.7178 -149104.1975 298.7362 52.3981 82.5115 557275.6635 -12.9293 -13.0394 LDB: ============= START OF LOAD BALANCING ============== 2602.58 LDB: ============== END OF LOAD BALANCING =============== 2602.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2602.58 LDB: ============= START OF LOAD BALANCING ============== 2602.89 LDB: Largest compute 4773 load 0.029751 is 25.2% of average load 0.118036 LDB: Average compute 0.001728 is 1.5% of average load 0.118036 LDB: TIME 2602.89 LOAD: AVG 0.118036 MAX 0.211929 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.703 MB LDB: TIME 2602.89 LOAD: AVG 0.118036 MAX 0.211929 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: TIME 2602.89 LOAD: AVG 0.118036 MAX 0.211929 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: ============== END OF LOAD BALANCING =============== 2602.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2602.9 PRESSURE: 872400 -179.826 82.8115 8.24947 82.8116 -52.3646 164.949 8.25004 164.948 134.992 GPRESSURE: 872400 -83.5731 63.9262 -2.18329 134.099 -68.02 66.3681 -4.21788 201.583 153.863 PRESSAVG: 872400 -12.5028 -19.4011 -25.4204 -19.4011 19.9664 -5.79331 -25.4203 -5.79326 5.61845 GPRESSAVG: 872400 -12.4134 -19.319 -25.5629 -21.3472 19.9317 -7.01897 -26.8774 -4.35254 5.80605 TIMING: 872400 CPU: 2599.65, 0.0031188/step Wall: 2599.65, 0.0031188/step, 3.57588 hours remaining, 206.703125 MB of memory in use. ENERGY: 872400 743.5984 2038.8736 1926.8503 111.6411 -205828.6123 17690.5313 0.0000 0.0000 34140.3753 -149176.7424 298.1564 -183317.1177 -149079.4986 299.7451 -32.3995 0.7567 557194.9937 4.3607 4.4415 PRESSURE: 872600 -127.956 -1.67727 -143.345 -1.67623 -62.9444 41.5609 -143.344 41.5617 -163.695 GPRESSURE: 872600 -132.792 70.0171 -42.4124 -67.8121 -41.1768 52.7839 -118.357 -9.97083 -80.0159 PRESSAVG: 872600 15.2647 42.7273 21.7468 42.7272 -96.0846 33.9023 21.7469 33.9023 85.4884 GPRESSAVG: 872600 13.8747 41.0034 22.257 42.3884 -95.287 34.0426 22.8903 34.1074 86.2362 TIMING: 872600 CPU: 2600.25, 0.00302349/step Wall: 2600.25, 0.00302349/step, 3.46644 hours remaining, 206.703125 MB of memory in use. ENERGY: 872600 750.5608 2049.1190 1947.0345 104.5091 -205956.7891 17719.6913 0.0000 0.0000 34241.5418 -149144.3326 299.0399 -183385.8744 -149050.1881 299.8127 -118.1983 -84.6616 558157.3917 1.5562 1.6080 PRESSURE: 872800 26.5907 -88.7515 123.667 -88.7505 -86.2784 7.69735 123.667 7.69553 89.2242 GPRESSURE: 872800 -36.0202 -93.486 54.6583 -158.3 23.0174 -38.3308 125.603 -11.2683 146.106 PRESSAVG: 872800 10.1251 -46.3954 34.8627 -46.3955 41.9746 0.369968 34.8627 0.370008 -16.509 GPRESSAVG: 872800 10.6553 -46.0114 34.9517 -46.2889 43.1845 0.0997205 34.7912 0.141492 -18.3085 TIMING: 872800 CPU: 2600.85, 0.00299095/step Wall: 2600.85, 0.00299095/step, 3.42896 hours remaining, 206.703125 MB of memory in use. ENERGY: 872800 741.2627 2112.0766 1942.3211 111.9915 -206310.7045 17802.9563 0.0000 0.0000 34473.9504 -149126.1458 301.0696 -183600.0962 -149025.1484 299.7236 9.8455 44.3676 556075.0337 11.8635 11.8438 PRESSURE: 873000 -78.5032 -41.1598 -89.925 -41.1587 27.297 -84.3599 -89.9247 -84.36 3.40622 GPRESSURE: 873000 -15.8197 -106.945 -101.121 15.4579 84.7678 64.502 -57.9249 -47.3098 -23.3544 PRESSAVG: 873000 -18.6693 43.1528 74.3723 43.1528 -2.23145 30.9796 74.3722 30.9797 -9.89268 GPRESSAVG: 873000 -17.8051 44.3571 75.3574 43.2972 -3.34044 31.0836 75.9313 32.769 -9.84498 TIMING: 873000 CPU: 2601.45, 0.00301639/step Wall: 2601.45, 0.00301639/step, 3.45795 hours remaining, 206.703125 MB of memory in use. ENERGY: 873000 724.2850 2085.9887 1936.3408 121.1149 -206101.5105 17737.7389 0.0000 0.0000 34397.1378 -149098.9044 300.3988 -183496.0422 -149000.6326 299.7090 -15.9333 15.1979 557671.7709 -10.2645 -10.3302 PRESSURE: 873200 -141.603 -7.98759 117.89 -7.9885 -72.4092 153.017 117.891 153.017 -138.638 GPRESSURE: 873200 -99.3905 -3.65609 88.5397 -33.2902 -101.412 118.073 164.951 209.124 -59.5037 PRESSAVG: 873200 69.31 25.278 -3.62621 25.278 21.6835 -11.9629 -3.62622 -11.9629 -74.9351 GPRESSAVG: 873200 67.6085 23.9514 -5.93625 26.1937 21.6537 -10.3606 -3.96213 -13.2653 -73.5854 TIMING: 873200 CPU: 2602.05, 0.00300918/step Wall: 2602.05, 0.00300918/step, 3.44953 hours remaining, 206.703125 MB of memory in use. ENERGY: 873200 737.6205 2009.9326 1916.9084 113.8624 -206049.0485 17524.5899 0.0000 0.0000 34522.7737 -149223.3610 301.4960 -183746.1347 -149120.9942 299.4050 -117.5500 -86.7689 557435.3556 5.3528 5.2256 PRESSURE: 873400 -117.662 -21.6301 -29.1958 -21.6312 52.6819 83.9595 -29.1953 83.96 -135.173 GPRESSURE: 873400 -128.026 -30.8072 -7.30374 -31.2544 104.397 202.292 50.5662 63.3655 -76.4247 PRESSAVG: 873400 7.85863 9.93248 16.0405 9.93248 4.10464 44.0798 16.0405 44.0798 -5.17654 GPRESSAVG: 873400 8.54764 10.2332 16.6338 8.3557 3.50164 43.2785 15.3739 45.083 -5.13317 TIMING: 873400 CPU: 2602.65, 0.00297981/step Wall: 2602.65, 0.00297981/step, 3.41569 hours remaining, 206.703125 MB of memory in use. ENERGY: 873400 743.5728 2021.9088 1951.7088 118.9959 -205837.3119 17524.4770 0.0000 0.0000 34151.0379 -149325.6107 298.2495 -183476.6486 -149229.0241 299.1233 -66.7180 -33.3510 556960.8898 2.2622 2.3054 PRESSURE: 873600 -117.611 87.5869 -164.482 87.586 -35.6173 163.955 -164.482 163.955 -95.8532 GPRESSURE: 873600 -116.288 52.9765 -81.4979 103.446 27.1837 181.162 -123.683 191.845 -70.6334 PRESSAVG: 873600 7.96823 -37.7679 12.5919 -37.768 -4.43274 8.63672 12.5919 8.63675 -38.8256 GPRESSAVG: 873600 8.65125 -38.1766 14.4303 -36.0898 -4.48799 10.7526 12.6216 7.49015 -39.6403 TIMING: 873600 CPU: 2603.25, 0.00298632/step Wall: 2603.25, 0.00298632/step, 3.42299 hours remaining, 206.703125 MB of memory in use. ENERGY: 873600 715.4219 2057.7594 1920.2834 103.8960 -205899.5218 17548.2903 0.0000 0.0000 34203.8739 -149349.9968 298.7109 -183553.8708 -149244.8133 299.2593 -83.0270 -53.2460 555571.9394 -11.7634 -11.8257 PRESSURE: 873800 -87.3618 -21.6899 174.923 -21.6902 13.9459 69.0029 174.923 69.0026 48.7361 GPRESSURE: 873800 -33.3627 -70.0957 127.783 47.295 30.1106 188.361 181.349 23.1943 78.3691 PRESSAVG: 873800 -28.0756 -75.0431 30.5384 -75.0432 -15.2941 41.4853 30.5385 41.4854 72.971 GPRESSAVG: 873800 -27.8656 -74.1677 29.724 -75.1736 -15.0494 38.7941 31.4458 40.5439 72.9993 TIMING: 873800 CPU: 2603.84, 0.00297802/step Wall: 2603.84, 0.00297802/step, 3.4133 hours remaining, 206.703125 MB of memory in use. ENERGY: 873800 726.2955 2028.3365 1963.3990 100.3056 -206213.9668 17924.8969 0.0000 0.0000 34265.6751 -149205.0582 299.2507 -183470.7333 -149108.3942 298.8486 -8.2266 25.0390 556956.6933 9.8671 10.0281 PRESSURE: 874000 -314.573 212.204 -1.32421 212.203 -228.467 -5.85593 -1.32469 -5.85496 -318.8 GPRESSURE: 874000 -296.867 252.887 -86.5165 187.901 -157.978 28.9652 47.2255 -9.63836 -287.888 PRESSAVG: 874000 -10.6926 5.47259 16.8984 5.4726 -26.8598 -9.09167 16.8983 -9.09167 18.282 GPRESSAVG: 874000 -12.1914 4.02079 17.2978 5.27609 -26.1038 -7.70189 14.6974 -7.84884 19.1403 TIMING: 874000 CPU: 2604.43, 0.00294598/step Wall: 2604.43, 0.00294598/step, 3.37642 hours remaining, 206.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 874000 737.4895 2069.3217 1934.6516 107.0124 -205808.1408 17501.2187 0.0000 0.0000 34174.5683 -149283.8786 298.4550 -183458.4469 -149179.4172 299.1021 -287.2799 -247.5780 559354.8203 -6.4234 -6.3850 PRESSURE: 874200 39.0279 -29.8775 -98.5769 -29.8765 -224.763 -19.1849 -98.5762 -19.1863 2.35208 GPRESSURE: 874200 95.2462 -8.07793 -110.664 14.5142 -185.071 3.61054 -53.2753 -1.47248 -4.12735 PRESSAVG: 874200 30.4059 46.4263 -75.1206 46.4262 15.9031 -3.18008 -75.1206 -3.18036 -38.5442 GPRESSAVG: 874200 30.2506 47.9536 -76.6718 46.0663 15.8149 -4.53148 -72.1785 -2.9994 -37.9148 TIMING: 874200 CPU: 2605.02, 0.00295499/step Wall: 2605.02, 0.00295499/step, 3.38658 hours remaining, 206.703125 MB of memory in use. ENERGY: 874200 777.3459 2049.9897 1910.8375 123.0102 -206027.4994 17842.5057 0.0000 0.0000 33886.3985 -149437.4119 295.9383 -183323.8105 -149336.8484 298.3743 -61.1278 -31.3175 558597.3654 2.5883 2.7169 PRESSURE: 874400 125.235 -51.5982 -149.227 -51.5978 -42.0887 -84.9885 -149.226 -84.988 -169.256 GPRESSURE: 874400 134.599 -2.49303 -90.4402 -99.0966 -9.35152 -24.3544 -176.188 -96.0381 -108.317 PRESSAVG: 874400 3.52862 -52.2556 -39.7284 -52.2556 -2.26581 -6.84568 -39.7285 -6.8457 -2.45423 GPRESSAVG: 874400 4.99121 -52.5792 -38.2139 -51.2683 -3.09141 -7.35452 -41.244 -5.80712 -2.41185 TIMING: 874400 CPU: 2605.61, 0.00294233/step Wall: 2605.61, 0.00294233/step, 3.37191 hours remaining, 206.703125 MB of memory in use. ENERGY: 874400 707.1024 2030.7058 1922.3214 100.3057 -206057.2251 17787.4124 0.0000 0.0000 33991.8241 -149517.5531 296.8591 -183509.3773 -149422.4693 297.5393 -28.7034 5.6433 557985.9343 -0.3971 -0.1707 PRESSURE: 874600 -45.8785 -29.4928 55.8607 -29.4929 7.70671 28.5093 55.8614 28.5098 98.0981 GPRESSURE: 874600 2.06743 -28.0606 54.26 -33.9737 31.7933 3.26264 110.806 121.914 128.524 PRESSAVG: 874600 14.0313 15.2428 -24.1943 15.2427 -88.189 7.15854 -24.1943 7.15844 60.269 GPRESSAVG: 874600 13.6935 15.4753 -25.4951 15.7733 -87.3918 7.37731 -23.5787 6.26858 59.9571 TIMING: 874600 CPU: 2606.2, 0.00293118/step Wall: 2606.2, 0.00293118/step, 3.35897 hours remaining, 206.703125 MB of memory in use. ENERGY: 874600 732.3425 2063.4124 1948.9032 117.5460 -206105.5526 17873.4036 0.0000 0.0000 34164.2925 -149205.6524 298.3653 -183369.9449 -149108.0993 298.2828 19.9754 54.1281 557006.7284 -4.6296 -4.5804 PRESSURE: 874800 52.0703 -61.705 82.5986 -61.7048 -61.6235 78.6006 82.5995 78.6002 -49.031 GPRESSURE: 874800 3.93464 -88.5362 54.5241 -79.304 49.7582 75.3315 108.198 53.5124 -15.7403 PRESSAVG: 874800 -44.7066 -27.5496 -21.7571 -27.5496 -30.1423 -41.2074 -21.7571 -41.2073 58.9938 GPRESSAVG: 874800 -45.0832 -27.3099 -21.2737 -30.3743 -30.0553 -37.8008 -22.5079 -43.6992 59.765 TIMING: 874800 CPU: 2606.79, 0.00294326/step Wall: 2606.79, 0.00294326/step, 3.37265 hours remaining, 206.703125 MB of memory in use. ENERGY: 874800 760.3636 2069.7866 1918.6963 110.1880 -206328.7787 17739.7464 0.0000 0.0000 34413.3889 -149316.6088 300.5407 -183729.9978 -149223.5816 298.8545 -19.5281 12.6509 555878.6149 -5.2850 -5.1245 PRESSURE: 875000 212.738 15.2513 -18.7182 15.2522 180.589 77.1231 -18.7185 77.1238 61.4473 GPRESSURE: 875000 184.659 -71.8604 -117.262 63.8151 244.936 139.791 13.7754 34.1599 115.882 PRESSAVG: 875000 44.5939 6.89517 -10.3132 6.89519 -47.6955 18.2417 -10.3131 18.2418 71.6923 GPRESSAVG: 875000 44.7686 7.19915 -10.8904 8.67064 -47.8382 16.1052 -8.73876 18.7286 71.2277 TIMING: 875000 CPU: 2607.38, 0.00294838/step Wall: 2607.38, 0.00294838/step, 3.37835 hours remaining, 206.703125 MB of memory in use. ENERGY: 875000 737.9948 2086.7472 1922.1951 106.5453 -206655.0813 18085.6460 0.0000 0.0000 34344.2679 -149371.6850 299.9370 -183715.9529 -149269.4513 299.0981 151.5913 181.8257 556144.2548 22.8635 22.7194 PRESSURE: 875200 12.8317 -109.039 52.3377 -109.039 201.784 33.6401 52.3373 33.6409 -70.0925 GPRESSURE: 875200 -0.817124 -14.1683 68.542 -114.336 231.102 55.4203 103.717 25.2203 -4.38799 PRESSAVG: 875200 -2.19971 -17.0184 27.5446 -17.0184 -3.45046 13.3704 27.5447 13.3705 -2.53694 GPRESSAVG: 875200 -2.50261 -17.5856 26.1195 -18.4656 -3.76377 11.9001 27.5268 17.5478 -2.68266 TIMING: 875200 CPU: 2607.97, 0.00297438/step Wall: 2607.97, 0.00297438/step, 3.40798 hours remaining, 206.703125 MB of memory in use. ENERGY: 875200 748.4150 2076.1334 1933.9847 97.7988 -206373.5941 17971.4332 0.0000 0.0000 34173.4210 -149372.4081 298.4450 -183545.8291 -149275.3757 298.5772 48.1743 75.2989 556455.8991 -2.7290 -2.9830 PRESSURE: 875400 -8.07471 -26.6384 38.514 -26.6371 12.6086 21.7211 38.515 21.72 54.3861 GPRESSURE: 875400 6.54141 16.4706 -30.6116 3.63156 55.8924 -69.3043 147.574 30.4641 97.3248 PRESSAVG: 875400 -24.0738 38.3623 -15.2599 38.3624 -29.3768 23.9943 -15.2598 23.9943 38.9265 GPRESSAVG: 875400 -23.7697 38.8692 -12.7585 37.9182 -28.796 26.1023 -16.9752 19.5893 38.104 TIMING: 875400 CPU: 2608.56, 0.00296559/step Wall: 2608.56, 0.00296559/step, 3.39774 hours remaining, 206.703125 MB of memory in use. ENERGY: 875400 714.4049 2065.8687 1958.7360 127.3806 -206067.8842 17724.4506 0.0000 0.0000 34154.0203 -149323.0231 298.2756 -183477.0434 -149215.7251 298.3105 19.6400 53.2529 556102.6949 -4.8414 -4.8206 PRESSURE: 875600 -267.263 183.71 -119.912 183.71 -248.998 -92.2115 -119.913 -92.2113 -458.262 GPRESSURE: 875600 -192.872 118.522 -54.9264 132.91 -285.738 -66.7222 -97.4145 -84.577 -395.93 PRESSAVG: 875600 27.7007 48.7947 34.0233 48.7948 -47.8251 -34.9972 34.0233 -34.9971 -8.93436 GPRESSAVG: 875600 27.8336 50.3733 32.5836 49.4083 -48.9931 -36.1245 34.9177 -33.3501 -8.17764 TIMING: 875600 CPU: 2609.16, 0.00297246/step Wall: 2609.16, 0.00297246/step, 3.40545 hours remaining, 206.703125 MB of memory in use. ENERGY: 875600 729.4604 2141.6104 1954.0100 108.2855 -205646.7951 17194.8360 0.0000 0.0000 34083.5147 -149435.0780 297.6598 -183518.5928 -149339.4860 298.1494 -324.8410 -291.5136 557685.9857 -9.6863 -9.7790 PRESSURE: 875800 134.474 1.68882 33.8246 1.68832 -89.5826 -29.4406 33.8248 -29.4402 20.4105 GPRESSURE: 875800 208.953 -4.30391 68.5118 65.0347 -97.7353 -56.8633 4.07457 -53.5756 56.6048 PRESSAVG: 875800 -22.2481 103.629 24.0709 103.629 2.9453 -17.4442 24.0709 -17.4443 -22.7303 GPRESSAVG: 875800 -22.3455 101.634 24.2028 103.615 3.98003 -18.6391 26.5407 -17.0007 -24.4777 TIMING: 875800 CPU: 2609.75, 0.00297046/step Wall: 2609.75, 0.00297046/step, 3.40299 hours remaining, 206.703125 MB of memory in use. ENERGY: 875800 747.9307 2114.6009 1963.0450 109.1785 -206669.2407 17986.2589 0.0000 0.0000 34372.7199 -149375.5067 300.1855 -183748.2267 -149282.8015 298.8313 21.7673 55.9407 555966.8763 -14.0110 -14.2811 PRESSURE: 876000 -37.3078 -130.776 -66.2372 -130.776 240.089 29.3429 -66.2381 29.3426 300.667 GPRESSURE: 876000 30.2515 -38.3903 -145.462 -122.748 284.145 75.6726 -9.81532 65.0993 277.964 PRESSAVG: 876000 25.3912 15.4088 11.322 15.4087 -33.1115 14.8278 11.3219 14.8279 3.419 GPRESSAVG: 876000 24.4454 16.1897 13.1716 14.7932 -34.524 15.5748 7.88124 13.5453 5.78744 TIMING: 876000 CPU: 2610.35, 0.00297985/step Wall: 2610.35, 0.00297985/step, 3.41358 hours remaining, 206.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 876000 783.1086 2058.3428 1934.7405 107.2021 -206428.4730 18012.1776 0.0000 0.0000 34012.1319 -149520.7695 297.0364 -183532.9015 -149432.7842 298.8837 167.8161 197.4536 555916.4797 -1.4338 -1.4304 PRESSURE: 876200 -28.9133 -77.7193 -45.5281 -77.7183 -298.058 -78.4083 -45.527 -78.4078 125.947 GPRESSURE: 876200 85.6285 -138.677 -20.488 -15.4356 -324.071 -19.7308 -121.412 -44.5278 137.767 PRESSAVG: 876200 -70.0216 -38.0327 31.7523 -38.0328 -4.48275 9.9564 31.7523 9.95651 47.2138 GPRESSAVG: 876200 -69.3859 -37.0984 29.1352 -38.6961 -3.0952 9.97427 31.8584 9.38703 45.359 TIMING: 876200 CPU: 2610.94, 0.00297703/step Wall: 2610.94, 0.00297703/step, 3.41019 hours remaining, 206.703125 MB of memory in use. ENERGY: 876200 731.8054 2062.6633 1939.5982 116.0980 -206223.9623 17660.8294 0.0000 0.0000 34207.6837 -149505.2843 298.7442 -183712.9680 -149411.3243 298.0704 -67.0080 -33.5586 557279.5856 -9.0968 -9.0407 LDB: ============= START OF LOAD BALANCING ============== 2614.49 LDB: ============== END OF LOAD BALANCING =============== 2614.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2614.49 LDB: ============= START OF LOAD BALANCING ============== 2614.79 LDB: Largest compute 4773 load 0.027523 is 23.3% of average load 0.118088 LDB: Average compute 0.001722 is 1.5% of average load 0.118088 LDB: TIME 2614.79 LOAD: AVG 0.118088 MAX 0.208672 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.242 MB LDB: TIME 2614.79 LOAD: AVG 0.118088 MAX 0.208672 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.246 MB LDB: TIME 2614.79 LOAD: AVG 0.118088 MAX 0.208672 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2614.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2614.8 PRESSURE: 876400 109.483 27.6399 48.5631 27.6389 180.645 39.0733 48.5624 39.0728 137.858 GPRESSURE: 876400 75.6986 -18.4714 9.37949 67.7015 207.833 79.4751 143.572 71.6535 240.556 PRESSAVG: 876400 97.5913 -17.2712 10.1097 -17.2712 -41.179 35.9999 10.1097 36 -72.9843 GPRESSAVG: 876400 96.0574 -18.7058 11.6505 -15.9367 -40.1197 34.4288 10.115 37.0662 -73.0245 TIMING: 876400 CPU: 2611.55, 0.00302619/step Wall: 2611.55, 0.00302619/step, 3.46633 hours remaining, 207.214844 MB of memory in use. ENERGY: 876400 720.0070 2136.0103 1934.6267 123.5613 -206595.7439 18062.8546 0.0000 0.0000 34277.9066 -149340.7773 299.3575 -183618.6839 -149240.2242 298.4609 142.6619 174.6958 556195.0642 -5.5240 -5.6956 PRESSURE: 876600 56.9422 -1.16139 121.119 -1.16198 62.7761 -17.4852 121.118 -17.4837 174.04 GPRESSURE: 876600 76.154 56.1328 92.7481 -44.1492 110.311 -32.2747 103.491 -34.2197 202.651 PRESSAVG: 876600 41.6412 -37.6588 42.3462 -37.6588 -36.0176 3.75598 42.3462 3.75599 11.1535 GPRESSAVG: 876600 42.4379 -36.697 42.0614 -38.5227 -36.7967 4.77927 44.1682 0.766334 11.0408 TIMING: 876600 CPU: 2612.15, 0.00299416/step Wall: 2612.15, 0.00299416/step, 3.42948 hours remaining, 207.214844 MB of memory in use. ENERGY: 876600 740.5566 2070.0001 1950.1310 119.8578 -206107.0493 17837.8324 0.0000 0.0000 34188.1168 -149200.5546 298.5733 -183388.6714 -149105.4472 299.1385 97.9195 129.7056 557389.5911 5.5923 5.5607 PRESSURE: 876800 64.1577 102.004 119.117 102.003 -7.04182 -35.4421 119.117 -35.4413 -191.931 GPRESSURE: 876800 79.0739 -26.812 125.001 133.74 67.4909 6.14365 111.172 -24.8245 -183.697 PRESSAVG: 876800 41.3372 38.3999 -44.5222 38.3999 -46.1638 -2.18398 -44.5222 -2.18402 -11.6286 GPRESSAVG: 876800 40.463 36.9078 -45.0563 39.1329 -46.0794 -0.277968 -46.2731 -1.19769 -10.9054 TIMING: 876800 CPU: 2612.75, 0.00299225/step Wall: 2612.75, 0.00299225/step, 3.42712 hours remaining, 207.214844 MB of memory in use. ENERGY: 876800 730.1368 2096.8228 1941.5130 117.6767 -206224.6388 17853.4149 0.0000 0.0000 34345.2215 -149139.8530 299.9454 -183485.0745 -149040.7533 299.1231 -44.9384 -12.3773 558836.9582 -5.4850 -5.5073 PRESSURE: 877000 -7.57163 81.7301 -141.815 81.7298 154.278 54.1427 -141.815 54.142 361.897 GPRESSURE: 877000 45.0607 97.6425 -144.57 104.196 187.106 -18.2818 -151.054 89.6035 375.106 PRESSAVG: 877000 -22.2291 32.4649 5.86807 32.465 -7.92391 -1.36638 5.86803 -1.36628 25.7159 GPRESSAVG: 877000 -21.6598 34.9217 6.13405 31.6274 -8.39073 -2.56441 5.35292 1.31152 25.1499 TIMING: 877000 CPU: 2613.34, 0.00295737/step Wall: 2613.34, 0.00295737/step, 3.38701 hours remaining, 207.214844 MB of memory in use. ENERGY: 877000 755.1424 2145.6165 1926.7742 101.5092 -206816.6682 18299.7734 0.0000 0.0000 34417.7766 -149170.0760 300.5790 -183587.8525 -149078.5214 299.6768 169.5346 202.4240 557689.5037 -1.4790 -1.6336 PRESSURE: 877200 -37.6784 -15.9636 -116.212 -15.9623 -33.0661 79.5778 -116.213 79.5769 -133.79 GPRESSURE: 877200 5.5282 85.9013 -99.6756 0.0183948 8.19871 74.0385 -116.684 48.4806 -125.41 PRESSAVG: 877200 26.6403 41.6101 1.04243 41.6102 -49.0434 17.0096 1.04247 17.0095 15.6131 GPRESSAVG: 877200 27.0384 40.2885 -0.250965 42.2001 -49.464 16.2987 4.16928 16.2304 15.5838 TIMING: 877200 CPU: 2613.94, 0.0030003/step Wall: 2613.94, 0.0030003/step, 3.43601 hours remaining, 207.214844 MB of memory in use. ENERGY: 877200 746.3104 2102.8224 1966.1647 110.4713 -206120.8984 17737.2521 0.0000 0.0000 34256.6763 -149201.2013 299.1721 -183457.8776 -149096.5161 299.7530 -68.1780 -37.2279 559456.6466 -2.2633 -2.2806 PRESSURE: 877400 -138.022 -113.995 41.4576 -113.995 -45.9777 -91.6538 41.4575 -91.6539 -15.1532 GPRESSURE: 877400 -115.488 -93.4297 9.83296 -73.4346 27.0886 -30.7571 138.187 -157.992 -15.6219 PRESSAVG: 877400 27.3012 -2.8068 -33.666 -2.8069 69.6846 20.6506 -33.666 20.6505 -34.0876 GPRESSAVG: 877400 26.7227 -3.73169 -31.2919 -1.03402 70.5671 20.8742 -34.5396 19.3329 -34.183 TIMING: 877400 CPU: 2614.54, 0.00300423/step Wall: 2614.54, 0.00300423/step, 3.44035 hours remaining, 207.214844 MB of memory in use. ENERGY: 877400 773.1870 2089.6189 1947.2026 120.5667 -206167.9345 17930.0257 0.0000 0.0000 34269.7683 -149037.5653 299.2864 -183307.3336 -148938.0788 299.6015 -66.3844 -34.6738 557961.9917 20.9661 21.0356 PRESSURE: 877600 -18.9839 -140.986 19.1165 -140.987 -210.966 19.7041 19.1169 19.7035 -26.1747 GPRESSURE: 877600 13.4278 -137.574 87.462 -69.7397 -201.855 93.3857 36.4294 -14.0393 26.7718 PRESSAVG: 877600 -23.4187 -42.2513 18.896 -42.2513 11.7274 13.138 18.8959 13.138 -7.53117 GPRESSAVG: 877600 -22.9732 -41.8586 18.6093 -43.3728 10.1496 14.9432 18.6626 13.8699 -6.36903 TIMING: 877600 CPU: 2615.13, 0.00297484/step Wall: 2615.13, 0.00297484/step, 3.40653 hours remaining, 207.214844 MB of memory in use. ENERGY: 877600 727.7959 2062.0839 1974.2281 99.0928 -205778.2576 17650.2300 0.0000 0.0000 34381.2883 -148883.5386 300.2603 -183264.8269 -148791.8993 300.5415 -85.3750 -53.8851 558957.1912 -6.4075 -6.3975 PRESSURE: 877800 78.1999 169.843 -68.6247 169.844 -17.8123 78.3088 -68.624 78.3068 44.442 GPRESSURE: 877800 86.6068 204.818 -29.6986 193.012 49.6878 74.7223 -173.002 65.7331 73.4512 PRESSAVG: 877800 13.7883 24.6596 31.2492 24.6595 -3.83107 -31.1428 31.2492 -31.1428 -22.0915 GPRESSAVG: 877800 13.3537 23.6818 32.6812 26.7419 -2.85407 -33.0336 29.4787 -28.3622 -22.7187 TIMING: 877800 CPU: 2615.72, 0.00294567/step Wall: 2615.72, 0.00294567/step, 3.37296 hours remaining, 207.214844 MB of memory in use. ENERGY: 877800 737.1850 2062.5062 1967.9553 99.0157 -206500.8144 17966.6356 0.0000 0.0000 34596.4436 -149071.0730 302.1393 -183667.5166 -148975.8321 300.0463 34.9432 69.9153 558378.2736 -4.0447 -4.0730 PRESSURE: 878000 -160.765 102.731 2.42105 102.731 90.5955 112.229 2.42156 112.229 -313.248 GPRESSURE: 878000 -122.221 82.7624 -101.885 115.988 136.644 114.04 -13.3573 145.015 -303.398 PRESSAVG: 878000 -18.4031 13.6442 -33.814 13.6442 35.8293 -68.307 -33.814 -68.307 -58.39 GPRESSAVG: 878000 -17.9935 15.2663 -35.1 11.4388 35.529 -69.0228 -31.1206 -69.0098 -58.8873 TIMING: 878000 CPU: 2616.32, 0.00299172/step Wall: 2616.32, 0.00299172/step, 3.42552 hours remaining, 207.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 878000 714.4210 2087.9059 1958.5741 110.6260 -205759.6666 17582.1281 0.0000 0.0000 34075.4277 -149230.5838 297.5892 -183306.0115 -149136.9055 299.4135 -127.8061 -96.3251 559266.0775 -13.6546 -13.7839 PRESSURE: 878200 -64.2142 95.5678 -109.833 95.5676 -9.27728 25.4502 -109.833 25.4505 -90.4728 GPRESSURE: 878200 -81.082 115.348 -11.8454 96.7451 42.1368 -55.8438 -120.334 8.66507 -23.5544 PRESSAVG: 878200 48.1938 51.0998 -45.1126 51.0998 12.6952 19.8926 -45.1126 19.8926 7.42963 GPRESSAVG: 878200 47.9243 49.8337 -44.1736 52.1371 12.2853 20.7165 -46.3911 17.0743 8.41638 TIMING: 878200 CPU: 2616.92, 0.00298095/step Wall: 2616.92, 0.00298095/step, 3.41303 hours remaining, 207.214844 MB of memory in use. ENERGY: 878200 714.2423 2101.8148 1930.1727 104.1807 -205769.4555 17709.9596 0.0000 0.0000 34165.6862 -149043.3992 298.3774 -183209.0854 -148948.2013 299.1612 -54.6548 -20.8332 559349.4209 22.7729 22.8753 PRESSURE: 878400 17.2645 31.755 14.2214 31.7563 141.086 -79.833 14.2229 -79.8322 -88.8993 GPRESSURE: 878400 5.58473 46.6867 82.0297 80.9324 208.426 27.654 -9.47702 -95.6353 -54.0349 PRESSAVG: 878400 -73.1034 -15.666 35.6339 -15.666 49.2731 11.8754 35.6339 11.8754 7.1287 GPRESSAVG: 878400 -72.4296 -14.9256 33.6624 -16.3949 49.6681 13.8521 36.7245 10.4324 6.11003 TIMING: 878400 CPU: 2617.52, 0.0029854/step Wall: 2617.52, 0.0029854/step, 3.41796 hours remaining, 207.214844 MB of memory in use. ENERGY: 878400 769.9549 2070.0546 1952.8528 113.9062 -206163.8298 17853.4565 0.0000 0.0000 34341.8226 -149061.7821 299.9157 -183403.6047 -148972.7399 299.5638 23.1503 53.3254 557139.2814 -5.5672 -5.5505 PRESSURE: 878600 -238.161 -64.8423 144.474 -64.8434 -61.8486 -110.805 144.474 -110.803 180.002 GPRESSURE: 878600 -178.481 -56.0325 78.2152 -142.006 -18.9144 -75.5897 190.956 -100.508 169.949 PRESSAVG: 878600 26.6334 -2.56028 50.9852 -2.56029 41.6549 3.08429 50.9853 3.08425 1.17606 GPRESSAVG: 878600 25.2995 -1.28232 51.1051 -3.15873 42.4406 1.58927 51.6348 4.38598 1.78462 TIMING: 878600 CPU: 2618.11, 0.00297685/step Wall: 2618.11, 0.00297685/step, 3.408 hours remaining, 207.214844 MB of memory in use. ENERGY: 878600 758.3911 2082.5467 1940.9989 130.2896 -205726.2706 17661.8434 0.0000 0.0000 34188.4867 -148963.7141 298.5766 -183152.2008 -148874.2880 299.4877 -40.0024 -9.1490 558728.5566 23.1548 23.1749 PRESSURE: 878800 -157.475 -180.004 147.847 -180.002 -143.198 13.0825 147.846 13.0817 -188.969 GPRESSURE: 878800 -123.69 -225.124 86.2227 -189.525 -115.785 41.9907 233.486 38.1801 -154.481 PRESSAVG: 878800 -76.7478 -4.95007 55.4751 -4.95008 53.3019 -27.7375 55.475 -27.7375 3.83919 GPRESSAVG: 878800 -75.7464 -7.1118 54.4137 -3.32802 52.4217 -25.9199 56.1511 -28.8828 3.62236 TIMING: 878800 CPU: 2618.71, 0.00299565/step Wall: 2618.71, 0.00299565/step, 3.42935 hours remaining, 207.214844 MB of memory in use. ENERGY: 878800 728.1800 2045.0803 1964.7611 117.2374 -205548.6225 17464.1329 0.0000 0.0000 34346.1532 -148883.0776 299.9535 -183229.2308 -148792.4130 299.3176 -163.2141 -131.3185 557825.7573 -6.5356 -6.5675 PRESSURE: 879000 -24.6602 -19.7333 60.4023 -19.7312 -129.54 11.9754 60.4035 11.9769 -87.4085 GPRESSURE: 879000 -17.2152 -48.5384 94.967 -21.1033 -8.07468 -18.4392 34.2007 -13.8418 -106.012 PRESSAVG: 879000 27.782 16.4076 -9.21693 16.4076 49.0913 23.4525 -9.21694 23.4524 -121.526 GPRESSAVG: 879000 28.4508 14.2073 -6.85347 19.291 48.8185 21.2364 -11.2025 23.7792 -121.632 TIMING: 879000 CPU: 2619.31, 0.0029934/step Wall: 2619.31, 0.0029934/step, 3.42661 hours remaining, 207.214844 MB of memory in use. ENERGY: 879000 724.2594 2089.0133 1945.0803 114.7274 -205683.8358 17512.2073 0.0000 0.0000 34425.3139 -148873.2341 300.6448 -183298.5480 -148781.9173 300.1073 -80.5364 -43.7674 557937.8632 -14.8841 -14.7877 PRESSURE: 879200 -212.379 -14.3106 87.292 -14.3108 -54.0673 124.334 87.2918 124.334 -112.629 GPRESSURE: 879200 -148.071 -25.3918 156.194 20.7142 -57.2561 87.5845 62.1285 160.543 -87.6995 PRESSAVG: 879200 10.378 7.78092 51.1379 7.78094 18.6927 30.2428 51.1378 30.2428 -46.324 GPRESSAVG: 879200 10.0454 8.51194 51.0407 4.59942 17.9179 28.4113 51.7788 31.5838 -45.8322 TIMING: 879200 CPU: 2619.9, 0.00298229/step Wall: 2619.9, 0.00298229/step, 3.41373 hours remaining, 207.214844 MB of memory in use. ENERGY: 879200 721.9090 2100.7449 1944.3810 112.6505 -205775.5724 17519.6384 0.0000 0.0000 34453.5764 -148922.6723 300.8917 -183376.2487 -148830.9030 299.9332 -126.3584 -97.6754 558200.2503 -5.7511 -5.9563 PRESSURE: 879400 -94.0192 -75.9938 -33.9687 -75.9929 -17.5036 -26.6875 -33.9675 -26.6883 -109.922 GPRESSURE: 879400 -32.401 -56.9743 -45.7107 -94.2387 40.8991 0.749087 -28.7155 -123.534 -117.776 PRESSAVG: 879400 -32.0296 -19.1309 42.4328 -19.1308 53.095 16.3456 42.4329 16.3456 -53.3306 GPRESSAVG: 879400 -31.9033 -16.5903 40.9365 -19.9543 54.81 18.4346 42.6157 16.2785 -54.5838 TIMING: 879400 CPU: 2620.5, 0.00297086/step Wall: 2620.5, 0.00297086/step, 3.40048 hours remaining, 207.214844 MB of memory in use. ENERGY: 879400 729.1652 2092.1006 1920.0520 113.9845 -206119.1960 17788.0584 0.0000 0.0000 34447.3481 -149028.4871 300.8373 -183475.8353 -148923.0936 300.0834 -73.8150 -36.4258 557893.8785 -10.7550 -10.5590 PRESSURE: 879600 23.122 -25.8983 14.5232 -25.8964 27.3975 -13.9175 14.5234 -13.9177 -115.991 GPRESSURE: 879600 31.8943 -94.7447 -49.0114 85.5631 46.4927 52.9022 129.238 -41.2873 -40.3043 PRESSAVG: 879600 13.6753 3.97746 43.1832 3.97745 -7.3873 7.49895 43.1831 7.49892 16.4455 GPRESSAVG: 879600 13.808 3.95767 43.9674 6.24612 -8.79493 7.83038 41.0623 8.13876 17.6968 TIMING: 879600 CPU: 2621.09, 0.00296556/step Wall: 2621.09, 0.00296556/step, 3.39425 hours remaining, 207.214844 MB of memory in use. ENERGY: 879600 759.7631 2108.3046 1957.4683 103.1002 -206310.6850 17726.0141 0.0000 0.0000 34434.3073 -149221.7275 300.7234 -183656.0348 -149122.4034 299.6273 -21.8238 12.6943 556709.5123 7.5778 7.5700 PRESSURE: 879800 -198.39 33.7514 -80.8179 33.7511 -230.255 44.7238 -80.8182 44.7241 14.5745 GPRESSURE: 879800 -128.434 25.3414 -67.5272 117.358 -208.069 9.86252 -14.6696 8.44794 24.5194 PRESSAVG: 879800 -2.92548 2.53609 80.6504 2.53606 10.8884 22.3085 80.6504 22.3085 -3.33358 GPRESSAVG: 879800 -3.46067 3.88815 80.4223 -0.162924 11.1511 24.1762 80.3357 19.2614 -2.7078 TIMING: 879800 CPU: 2621.68, 0.00294819/step Wall: 2621.68, 0.00294819/step, 3.3742 hours remaining, 207.214844 MB of memory in use. ENERGY: 879800 774.4514 2135.6768 1937.5026 110.5063 -206117.9929 17657.3044 0.0000 0.0000 34252.7503 -149249.8011 299.1378 -183502.5514 -149158.6011 299.2378 -138.0235 -103.9945 558269.9290 1.5431 1.6609 PRESSURE: 880000 92.6503 -63.1302 19.3474 -63.1291 41.1909 47.747 19.348 47.7476 -349.567 GPRESSURE: 880000 118.493 -153.36 45.9686 -16.1121 141.579 103.15 -5.09029 49.5183 -386.013 PRESSAVG: 880000 1.73024 45.3015 -2.52844 45.3015 -14.78 33.1938 -2.52845 33.1938 10.0005 GPRESSAVG: 880000 2.17398 42.3887 -4.31076 46.23 -14.1334 30.3593 -1.74876 35.9381 9.01108 TIMING: 880000 CPU: 2622.27, 0.00295292/step Wall: 2622.27, 0.00295292/step, 3.37945 hours remaining, 207.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 880000 758.4899 2049.9391 1954.0582 93.9853 -206137.7632 17766.8034 0.0000 0.0000 34475.8572 -149038.6301 301.0862 -183514.4872 -148937.6386 299.7416 -71.9086 -41.9803 557962.5721 -1.0164 -0.9828 PRESSURE: 880200 456.249 -65.411 -10.0128 -65.4103 280.312 14.6332 -10.0125 14.6329 -47.9734 GPRESSURE: 880200 438.422 -57.987 -26.0416 -110.799 300.066 -44.2728 -63.1715 -43.2382 55.6084 PRESSAVG: 880200 23.039 -8.86383 31.3591 -8.8637 63.351 -24.0313 31.3592 -24.0312 -46.7921 GPRESSAVG: 880200 23.34 -8.63693 33.2074 -9.71299 62.8085 -22.5296 30.5436 -26.4944 -46.2481 TIMING: 880200 CPU: 2622.86, 0.00295831/step Wall: 2622.86, 0.00295831/step, 3.38545 hours remaining, 207.214844 MB of memory in use. ENERGY: 880200 744.6587 2140.2984 1915.2031 113.1515 -206561.7871 18224.3907 0.0000 0.0000 34260.0425 -149164.0421 299.2015 -183424.0846 -149077.9169 299.9696 229.5291 264.6988 557101.3938 13.1993 13.3001 LDB: ============= START OF LOAD BALANCING ============== 2626.41 LDB: ============== END OF LOAD BALANCING =============== 2626.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2626.41 LDB: ============= START OF LOAD BALANCING ============== 2626.71 LDB: Largest compute 4773 load 0.027215 is 23.0% of average load 0.118121 LDB: Average compute 0.001724 is 1.5% of average load 0.118121 LDB: TIME 2626.71 LOAD: AVG 0.118121 MAX 0.206073 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.473 MB LDB: TIME 2626.71 LOAD: AVG 0.118121 MAX 0.206073 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.672 MB LDB: TIME 2626.71 LOAD: AVG 0.118121 MAX 0.206073 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.672 MB LDB: ============== END OF LOAD BALANCING =============== 2626.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2626.72 PRESSURE: 880400 -192.179 -19.2149 66.5597 -19.215 -379.561 147.956 66.5594 147.955 -55.629 GPRESSURE: 880400 -153.203 -93.3073 -6.47329 56.2718 -343.152 120.27 4.87948 140.71 -46.8288 PRESSAVG: 880400 -0.56268 -15.9391 38.229 -15.9391 48.493 -21.5606 38.2291 -21.5607 -3.73407 GPRESSAVG: 880400 -2.19262 -15.8544 39.1013 -15.7439 50.425 -22.9322 39.9217 -17.7917 -4.28216 TIMING: 880400 CPU: 2623.47, 0.00301363/step Wall: 2623.47, 0.00301363/step, 3.4486 hours remaining, 206.703125 MB of memory in use. ENERGY: 880400 776.8473 2111.7674 1920.0783 114.6245 -205884.2895 17558.1399 0.0000 0.0000 34175.9789 -149226.8533 298.4673 -183402.8322 -149136.2954 298.9395 -209.1229 -181.0613 558358.6789 14.7321 14.6501 PRESSURE: 880600 10.8236 -82.274 139.276 -82.2726 31.2522 -90.1675 139.276 -90.1661 -44.3648 GPRESSURE: 880600 52.1389 -69.6838 101.078 -167.13 14.6087 -91.3508 208.502 -110.374 34.2433 PRESSAVG: 880600 -14.0484 -36.1947 -9.30523 -36.1946 -9.91219 -33.8554 -9.30527 -33.8552 40.6655 GPRESSAVG: 880600 -13.7892 -35.002 -9.33231 -34.0291 -11.2795 -32.5311 -9.02799 -38.0183 41.6938 TIMING: 880600 CPU: 2624.06, 0.00297186/step Wall: 2624.06, 0.00297186/step, 3.40064 hours remaining, 207.031250 MB of memory in use. ENERGY: 880600 715.5664 2076.0344 1959.7709 128.9778 -206170.0894 17866.7473 0.0000 0.0000 33897.4646 -149525.5279 296.0350 -183422.9926 -149426.9750 298.7633 -0.7630 33.6636 558642.8603 5.5683 5.5417 PRESSURE: 880800 2.33441 11.8751 51.2073 11.8764 -14.8696 94.6357 51.2069 94.6348 85.9934 GPRESSURE: 880800 44.6221 8.83927 64.315 -55.106 17.0092 59.2121 -2.50006 25.5735 109.298 PRESSAVG: 880800 -44.8879 3.37467 -7.25827 3.37471 64.6788 61.7448 -7.25827 61.7448 -16.0961 GPRESSAVG: 880800 -44.6265 3.06699 -7.79897 2.73393 64.3114 60.9364 -7.1146 64.5888 -16.274 TIMING: 880800 CPU: 2624.65, 0.0029606/step Wall: 2624.65, 0.0029606/step, 3.38758 hours remaining, 207.031250 MB of memory in use. ENERGY: 880800 720.2116 2147.0299 1912.3726 100.6668 -206362.4475 17828.8848 0.0000 0.0000 34296.3100 -149356.9719 299.5182 -183653.2819 -149264.9089 298.5753 24.4861 56.9764 558098.3082 1.2316 1.1370 PRESSURE: 881000 70.321 -24.3404 -73.7501 -24.341 184.609 -88.1186 -73.7496 -88.1197 74.354 GPRESSURE: 881000 93.2429 36.3542 4.80338 105.027 199.592 -37.5134 -91.8119 -38.6677 136.574 PRESSAVG: 881000 40.094 -13.5305 2.55829 -13.5306 -26.6012 -8.8955 2.55829 -8.89554 0.821526 GPRESSAVG: 881000 41.4436 -13.7734 2.22224 -14.6316 -26.6787 -8.00524 3.33152 -8.72347 0.0441024 TIMING: 881000 CPU: 2625.25, 0.00299713/step Wall: 2625.25, 0.00299713/step, 3.42921 hours remaining, 207.031250 MB of memory in use. ENERGY: 881000 737.2856 2051.9182 1926.3480 121.4727 -206459.0148 18001.3078 0.0000 0.0000 34203.1262 -149417.5563 298.7044 -183620.6825 -149322.3580 298.8485 109.7613 143.1363 556316.0193 4.7715 4.9363 PRESSURE: 881200 -120.051 94.2324 169.394 94.2322 -79.2596 -39.3564 169.396 -39.3544 -256.715 GPRESSURE: 881200 -137.25 -24.2131 246.083 130.759 -46.2136 38.4115 149.617 -69.6182 -184.401 PRESSAVG: 881200 29.2497 -27.2947 0.0912884 -27.2946 37.921 3.0334 0.0912829 3.03335 -71.5018 GPRESSAVG: 881200 29.4046 -28.6446 -1.25066 -26.0205 37.9613 1.58023 0.10178 3.87074 -71.9415 TIMING: 881200 CPU: 2625.85, 0.00297243/step Wall: 2625.85, 0.00297243/step, 3.40079 hours remaining, 207.031250 MB of memory in use. ENERGY: 881200 756.5888 2086.3005 1937.7692 126.2790 -206016.0366 17494.8982 0.0000 0.0000 34310.7918 -149303.4091 299.6447 -183614.2009 -149205.1733 298.9494 -152.0087 -122.6215 557717.3719 -1.4437 -1.5252 PRESSURE: 881400 67.4461 -33.089 106.835 -33.0873 -134.743 -129.377 106.833 -129.375 -87.1873 GPRESSURE: 881400 101.694 15.8564 65.5365 -48.9128 -99.3901 -72.9509 63.4781 -160.995 -53.8081 PRESSAVG: 881400 34.2795 -58.5387 12.5551 -58.5387 -24.7482 -34.9291 12.5552 -34.9291 -3.22707 GPRESSAVG: 881400 33.2335 -58.3521 14.9511 -59.2319 -24.6756 -33.444 12.7292 -36.7377 -2.11763 TIMING: 881400 CPU: 2626.44, 0.002968/step Wall: 2626.44, 0.002968/step, 3.39556 hours remaining, 207.031250 MB of memory in use. ENERGY: 881400 767.3541 2104.4444 1923.1780 115.5412 -206095.7454 17641.3866 0.0000 0.0000 34416.3715 -149127.4695 300.5667 -183543.8410 -149033.0968 299.3210 -51.4946 -17.1682 557224.2365 2.1014 2.1467 PRESSURE: 881600 -306.228 -25.4752 16.3536 -25.4747 -230.374 39.251 16.3541 39.2518 -405.544 GPRESSURE: 881600 -319.866 -87.3976 59.1731 64.8045 -176.075 -30.6549 -71.4635 98.7358 -345.751 PRESSAVG: 881600 -12.939 -23.6832 48.1885 -23.683 113.664 -90.6035 48.1885 -90.6035 -97.3192 GPRESSAVG: 881600 -12.5891 -23.661 49.0346 -23.677 113.586 -91.7033 47.722 -89.3334 -97.1524 TIMING: 881600 CPU: 2627.04, 0.00298523/step Wall: 2627.04, 0.00298523/step, 3.41511 hours remaining, 207.031250 MB of memory in use. ENERGY: 881600 775.1114 2092.3758 1956.6397 102.1623 -205928.8822 17521.8890 0.0000 0.0000 34183.9457 -149296.7583 298.5369 -183480.7040 -149198.2484 299.6450 -314.0485 -280.5639 559051.0272 1.1351 1.2814 PRESSURE: 881800 328.198 7.48748 20.8308 7.48755 272.907 44.3393 20.8294 44.3392 144.705 GPRESSURE: 881800 297.02 -11.648 -11.4585 -19.2729 273.957 -15.7948 -44.1581 52.5205 276.108 PRESSAVG: 881800 41.5034 7.08974 -3.94264 7.08973 28.3418 -48.1253 -3.94253 -48.1253 -46.5434 GPRESSAVG: 881800 40.5619 5.88443 -5.85238 6.88553 29.5059 -48.315 -1.92575 -48.791 -46.8752 TIMING: 881800 CPU: 2627.63, 0.00296559/step Wall: 2627.63, 0.00296559/step, 3.39247 hours remaining, 207.031250 MB of memory in use. ENERGY: 881800 737.0549 2079.6131 1937.6377 118.9931 -206549.0178 18234.9587 0.0000 0.0000 34153.8976 -149286.8626 298.2745 -183440.7602 -149197.1055 299.2884 248.6034 282.3619 557691.8181 7.7672 7.7308 PRESSURE: 882000 171.206 56.9376 44.4082 56.9373 167.254 -36.993 44.4075 -36.9948 244.741 GPRESSURE: 882000 170.979 135.9 7.65292 -37.595 158.248 -40.219 77.2144 -55.9332 363.312 PRESSAVG: 882000 2.21628 59.3895 6.42112 59.3895 25.624 8.89281 6.42114 8.89285 9.18399 GPRESSAVG: 882000 2.72154 63.1147 5.83427 59.7956 25.2575 9.11294 6.23489 9.22078 9.20308 TIMING: 882000 CPU: 2628.22, 0.00296374/step Wall: 2628.22, 0.00296374/step, 3.39019 hours remaining, 207.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 882000 755.1949 2048.2266 1959.3481 108.1027 -206239.7390 17893.6497 0.0000 0.0000 34122.7941 -149352.4230 298.0028 -183475.2171 -149264.5713 299.3138 194.4006 230.8465 556908.0209 12.3414 12.3940 PRESSURE: 882200 49.361 58.0595 15.8249 58.0596 38.4746 102.021 15.8253 102.021 -95.1554 GPRESSURE: 882200 81.0404 137.846 54.1851 9.79306 50.703 28.6819 -58.2431 91.9053 -44.3567 PRESSAVG: 882200 -5.84658 66.9004 35.6022 66.9004 -36.0891 16.9144 35.6021 16.9144 35.6492 GPRESSAVG: 882200 -6.0758 65.577 34.5693 67.0165 -35.4601 17.9513 33.9109 15.2534 35.0903 TIMING: 882200 CPU: 2628.82, 0.00296907/step Wall: 2628.82, 0.00296907/step, 3.39612 hours remaining, 207.031250 MB of memory in use. ENERGY: 882200 781.2485 2097.6071 1917.8180 113.1930 -206164.4591 17806.9436 0.0000 0.0000 34163.3445 -149284.3043 298.3570 -183447.6488 -149192.7400 298.8913 -2.4400 29.1289 555786.8451 -2.0955 -2.1485 PRESSURE: 882400 -51.3573 76.9919 -86.2158 76.9915 -391.977 -47.7377 -86.2162 -47.7387 -332.167 GPRESSURE: 882400 9.48413 110.352 -26.0224 96.3997 -410.361 -54.1396 -50.0271 -62.1546 -285.409 PRESSAVG: 882400 7.19902 89.3374 -17.6891 89.3374 -30.8536 -3.23681 -17.6891 -3.23674 60.5983 GPRESSAVG: 882400 7.18365 88.4586 -15.5606 89.5994 -31.9004 -3.28988 -16.5091 -3.53227 61.3906 TIMING: 882400 CPU: 2629.41, 0.00295189/step Wall: 2629.41, 0.00295189/step, 3.3763 hours remaining, 207.031250 MB of memory in use. ENERGY: 882400 762.7138 2137.5110 1932.4659 114.4916 -205883.2399 17437.0520 0.0000 0.0000 34310.7196 -149188.2860 299.6440 -183499.0056 -149094.7514 299.8458 -258.5004 -228.7620 557084.8912 12.3146 12.2246 PRESSURE: 882600 15.5403 63.4317 -32.3571 63.4301 -317.101 109.226 -32.3564 109.228 114.501 GPRESSURE: 882600 69.5855 177.672 -47.5519 174.333 -361.842 165.012 29.019 27.6888 206.856 PRESSAVG: 882600 -4.46654 49.6783 26.8262 49.6782 -7.3548 -24.3926 26.8261 -24.3925 7.27081 GPRESSAVG: 882600 -3.67774 50.4057 26.8028 49.6299 -8.30391 -24.1137 25.9601 -23.5491 7.93808 TIMING: 882600 CPU: 2630, 0.00294776/step Wall: 2630, 0.00294776/step, 3.37142 hours remaining, 207.031250 MB of memory in use. ENERGY: 882600 747.0412 2054.6273 1936.3193 110.4443 -206560.6069 17903.4392 0.0000 0.0000 34507.0783 -149301.6573 301.3589 -183808.7356 -149209.5480 299.1941 -62.3533 -28.4670 556572.8329 -1.5168 -1.3479 PRESSURE: 882800 15.21 -41.1241 -30.2764 -41.1236 -120.715 -187.739 -30.2754 -187.739 31.1742 GPRESSURE: 882800 27.9355 -102.337 18.182 5.789 -112.55 -196.05 -41.8879 -159.885 104.865 PRESSAVG: 882800 -13.5548 9.89822 0.983166 9.89818 -85.3169 20.9547 0.983293 20.9547 112.581 GPRESSAVG: 882800 -14.6136 8.68022 0.867303 10.114 -84.325 19.0238 1.28065 21.4312 112.5 TIMING: 882800 CPU: 2630.59, 0.00296402/step Wall: 2630.59, 0.00296402/step, 3.38985 hours remaining, 207.031250 MB of memory in use. ENERGY: 882800 741.8861 2106.2197 1920.9291 116.5689 -206812.4074 17999.3732 0.0000 0.0000 34526.2727 -149401.1577 301.5265 -183927.4304 -149295.1855 298.9435 -24.7771 6.7503 557319.4417 4.5697 4.5206 PRESSURE: 883000 -146.323 192.005 17.4982 192.004 -192.846 95.1744 17.4982 95.1751 -128.019 GPRESSURE: 883000 -85.0484 113.596 95.0474 217.811 -197.216 97.9318 -90.2723 179.386 -89.992 PRESSAVG: 883000 -3.26519 -51.3329 -68.3838 -51.3329 6.52168 -43.418 -68.3839 -43.418 20.7412 GPRESSAVG: 883000 -1.87928 -49.0069 -68.2097 -53.3791 6.11625 -42.0912 -68.8982 -43.9488 19.8112 TIMING: 883000 CPU: 2631.18, 0.00296118/step Wall: 2631.18, 0.00296118/step, 3.38644 hours remaining, 207.031250 MB of memory in use. ENERGY: 883000 709.1703 2150.1031 1934.8356 115.8520 -206061.1179 17631.2294 0.0000 0.0000 34238.3525 -149281.5750 299.0120 -183519.9275 -149180.2879 299.5653 -155.7295 -124.0856 558621.9620 7.9992 8.0161 PRESSURE: 883200 222.595 197.468 74.8975 197.468 -159.136 106.489 74.8969 106.488 66.7292 GPRESSURE: 883200 227.114 164.293 5.04964 151.265 -141.773 37.0467 105.702 97.6211 138.19 PRESSAVG: 883200 19.045 38.1391 -29.7635 38.139 -84.1281 16.3069 -29.7635 16.3069 119.565 GPRESSAVG: 883200 17.7687 34.7457 -30.6862 41.0881 -82.4277 17.5316 -28.7976 16.9858 119.709 TIMING: 883200 CPU: 2631.77, 0.00295982/step Wall: 2631.77, 0.00295982/step, 3.38472 hours remaining, 207.031250 MB of memory in use. ENERGY: 883200 736.4315 2080.4756 1909.0787 105.7498 -206606.6078 17932.5932 0.0000 0.0000 34412.3698 -149429.9091 300.5318 -183842.2789 -149326.4809 299.3110 43.3963 74.5101 556859.6121 18.1605 18.3499 PRESSURE: 883400 123.581 155.835 -11.4405 155.834 -228.701 46.223 -11.441 46.2237 46.7021 GPRESSURE: 883400 133.099 194.168 2.01677 113.265 -223.772 17.6391 42.5212 38.7536 117.66 PRESSAVG: 883400 22.8905 42.8652 -17.0188 42.8651 -74.3438 -43.5646 -17.0188 -43.5647 58.4408 GPRESSAVG: 883400 23.7485 44.4377 -18.3845 43.5645 -76.7609 -42.1851 -18.3778 -44.1188 59.5698 TIMING: 883400 CPU: 2632.37, 0.0029805/step Wall: 2632.37, 0.0029805/step, 3.40821 hours remaining, 207.031250 MB of memory in use. ENERGY: 883400 755.0683 2110.8025 1916.3386 113.9105 -206170.6220 17867.7667 0.0000 0.0000 34204.0270 -149202.7085 298.7123 -183406.7354 -149105.5580 298.6858 -19.4727 8.9955 558179.5338 2.3292 2.1858 PRESSURE: 883600 12.8112 -6.44042 53.3513 -6.44092 -147.776 -10.7188 53.3512 -10.7195 -19.2128 GPRESSURE: 883600 73.515 -10.918 -5.85952 31.9555 -145.931 -42.1278 73.7935 -41.5199 13.0873 PRESSAVG: 883600 39.6941 19.6877 -15.8515 19.6877 1.65483 21.6333 -15.8515 21.6333 6.2204 GPRESSAVG: 883600 39.3393 21.5661 -15.7738 18.3926 3.77242 20.9907 -14.9552 22.4571 4.73139 TIMING: 883600 CPU: 2632.97, 0.00298741/step Wall: 2632.97, 0.00298741/step, 3.41593 hours remaining, 207.031250 MB of memory in use. ENERGY: 883600 746.2861 2114.2928 1948.1855 111.4340 -206361.5542 17910.5097 0.0000 0.0000 34307.5042 -149223.3419 299.6160 -183530.8461 -149139.9535 299.5219 -51.3926 -19.7762 558058.0307 15.8564 15.9477 PRESSURE: 883800 -311.381 47.5488 -115.494 47.5501 -113.766 69.9416 -115.494 69.9407 123.127 GPRESSURE: 883800 -250.143 36.1366 -74.29 68.2643 -107.358 62.9322 -93.4466 155.591 144.735 PRESSAVG: 883800 22.2251 20.1623 -4.72788 20.1624 -29.7359 -5.22991 -4.72773 -5.22993 0.37122 GPRESSAVG: 883800 23.0863 21.3335 -3.80325 18.5915 -30.8265 -4.34375 -5.04854 -8.14093 0.749899 TIMING: 883800 CPU: 2633.56, 0.00298213/step Wall: 2633.56, 0.00298213/step, 3.40974 hours remaining, 207.031250 MB of memory in use. ENERGY: 883800 749.9250 2100.6645 1949.0149 107.4371 -205986.0373 17572.2750 0.0000 0.0000 34174.8117 -149331.9091 298.4571 -183506.7208 -149233.1168 299.2777 -100.6733 -70.9219 556525.9541 -2.3798 -2.3301 PRESSURE: 884000 -43.5217 135.983 74.0327 135.984 116.883 -43.4855 74.0327 -43.4861 -10.5869 GPRESSURE: 884000 35.2322 132.732 114.493 98.1049 140.167 -18.1899 106.23 -60.6455 -6.55292 PRESSAVG: 884000 3.81852 -12.3487 -12.0067 -12.3486 10.0071 8.91916 -12.0067 8.91922 -15.6958 GPRESSAVG: 884000 3.31257 -14.1441 -11.5289 -10.804 9.84712 7.18494 -13.0556 11.9964 -15.5152 TIMING: 884000 CPU: 2634.16, 0.00298762/step Wall: 2634.16, 0.00298762/step, 3.41585 hours remaining, 207.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 884000 715.6761 2091.6938 1945.3037 108.9995 -205978.3673 17723.7525 0.0000 0.0000 33916.3526 -149476.5893 296.1999 -183392.9419 -149383.7232 298.5520 20.9246 56.2821 556908.2299 -0.6234 -0.7852 PRESSURE: 884200 -236.837 -139.998 14.921 -139.998 -67.8234 33.811 14.9217 33.8131 14.1514 GPRESSURE: 884200 -248.556 -191.746 -25.7877 -165.981 18.6423 -9.48602 -18.7178 84.246 28.6565 PRESSAVG: 884200 39.3518 48.4505 -18.161 48.4504 -28.443 18.3009 -18.161 18.3008 -2.58509 GPRESSAVG: 884200 37.4482 47.8784 -19.0744 46.968 -27.4332 16.8662 -17.5587 19.391 -1.86259 TIMING: 884200 CPU: 2634.76, 0.00299513/step Wall: 2634.76, 0.00299513/step, 3.42426 hours remaining, 207.031250 MB of memory in use. ENERGY: 884200 753.1408 2087.6106 1948.3821 104.9783 -206003.5047 17596.9068 0.0000 0.0000 34115.5865 -149396.8996 297.9399 -183512.4861 -149299.5213 298.5418 -96.8362 -67.0858 557333.7680 2.7746 2.7175 LDB: ============= START OF LOAD BALANCING ============== 2638.31 LDB: ============== END OF LOAD BALANCING =============== 2638.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2638.31 LDB: ============= START OF LOAD BALANCING ============== 2638.61 LDB: Largest compute 4773 load 0.028130 is 23.8% of average load 0.118193 LDB: Average compute 0.001722 is 1.5% of average load 0.118193 LDB: TIME 2638.61 LOAD: AVG 0.118193 MAX 0.206783 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.703 MB LDB: TIME 2638.61 LOAD: AVG 0.118193 MAX 0.206783 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: TIME 2638.61 LOAD: AVG 0.118193 MAX 0.206783 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: ============== END OF LOAD BALANCING =============== 2638.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2638.62 PRESSURE: 884400 50.8368 57.6977 107.9 57.6975 -15.3771 -98.6161 107.898 -98.6172 14.2056 GPRESSURE: 884400 49.642 84.254 120.17 -27.6242 6.35552 -125.68 88.0357 -128.429 87.8614 PRESSAVG: 884400 -32.9437 24.9325 -28.7199 24.9325 -16.8629 -2.88564 -28.7199 -2.88567 19.7322 GPRESSAVG: 884400 -31.6378 25.2127 -27.8903 24.5506 -18.1132 -0.150826 -29.1882 -3.82265 19.326 TIMING: 884400 CPU: 2635.37, 0.00302662/step Wall: 2635.37, 0.00302662/step, 3.4601 hours remaining, 207.984375 MB of memory in use. ENERGY: 884400 718.7981 2091.3856 1920.4112 109.0978 -206559.2534 18075.4450 0.0000 0.0000 34225.0650 -149419.0508 298.8960 -183644.1157 -149323.9065 298.5732 16.5551 47.9530 558669.8886 -10.0248 -10.1417 PRESSURE: 884600 -24.8844 -54.1285 13.0063 -54.1287 336.726 119.882 13.0058 119.884 245.846 GPRESSURE: 884600 27.1533 -111.324 12.4089 -42.3964 401.287 141.034 87.3502 106.861 225.572 PRESSAVG: 884600 7.99703 -64.0208 -1.53098 -64.0208 46.2139 60.9594 -1.53101 60.9593 -50.779 GPRESSAVG: 884600 9.14533 -62.936 -1.56128 -64.5246 45.3889 58.1291 0.169475 59.7342 -51.568 TIMING: 884600 CPU: 2635.96, 0.00298765/step Wall: 2635.96, 0.00298765/step, 3.41538 hours remaining, 207.984375 MB of memory in use. ENERGY: 884600 742.0632 2058.2217 1919.9298 101.6574 -206564.3696 18190.0135 0.0000 0.0000 34033.2767 -149519.2073 297.2211 -183552.4840 -149425.8551 298.6402 185.8959 218.0042 557780.4200 1.1440 0.9887 PRESSURE: 884800 233.938 27.4051 120.144 27.4043 -42.8297 31.3569 120.144 31.3577 -223.529 GPRESSURE: 884800 170.178 53.3153 157.401 12.3503 17.7361 -29.4815 148.76 50.4849 -114.907 PRESSAVG: 884800 -9.82537 9.44972 -22.7793 9.44973 23.557 16.0773 -22.7792 16.0773 25.9427 GPRESSAVG: 884800 -12.8298 6.9982 -23.1971 8.90688 24.668 16.9201 -23.9354 15.6989 27.456 TIMING: 884800 CPU: 2636.56, 0.00299795/step Wall: 2636.56, 0.00299795/step, 3.42699 hours remaining, 207.984375 MB of memory in use. ENERGY: 884800 770.5308 2055.9546 1914.0862 109.0040 -206538.3984 18008.8601 0.0000 0.0000 34361.1263 -149318.8365 300.0843 -183679.9628 -149226.6779 298.5211 -10.8071 24.3356 557475.2108 13.2248 13.0981 PRESSURE: 885000 -167.036 -84.8444 80.7522 -84.8455 -46.7123 90.5035 80.7514 90.5035 -158.387 GPRESSURE: 885000 -158.515 44.0644 74.5227 -49.6513 -24.9361 12.1835 -3.35066 31.308 -94.8448 PRESSAVG: 885000 44.7986 23.7454 15.7199 23.7454 3.68228 -22.2455 15.7199 -22.2455 -62.2656 GPRESSAVG: 885000 46.3974 25.1922 14.4792 24.4973 3.12532 -21.3305 14.0702 -22.1746 -63.1385 TIMING: 885000 CPU: 2637.17, 0.00302544/step Wall: 2637.17, 0.00302544/step, 3.45825 hours remaining, 207.984375 MB of memory in use. ENERGY: 885000 800.8796 2058.6744 1930.5231 112.0612 -206074.8700 17653.3695 0.0000 0.0000 34219.3283 -149300.0339 298.8459 -183519.3622 -149201.1159 298.4946 -124.0452 -92.7653 556049.4760 -4.5949 -4.5386 PRESSURE: 885200 111.415 -92.0999 -30.5952 -92.0997 44.48 -4.79823 -30.5946 -4.79697 -138.358 GPRESSURE: 885200 128.775 -102.771 -74.7986 -109.531 106.734 -21.3685 -6.41813 -6.16151 -127.209 PRESSAVG: 885200 37.6804 7.88494 23.4999 7.88495 -14.5987 11.3688 23.4999 11.3689 -5.78687 GPRESSAVG: 885200 37.4879 7.12273 24.3632 10.2638 -14.6566 11.9675 24.9224 13.7742 -5.7323 TIMING: 885200 CPU: 2637.77, 0.00298277/step Wall: 2637.77, 0.00298277/step, 3.4093 hours remaining, 207.984375 MB of memory in use. ENERGY: 885200 756.4233 2050.7831 1934.4192 113.2445 -206605.5031 17992.4257 0.0000 0.0000 34378.6016 -149379.6056 300.2369 -183758.2073 -149282.2700 299.0119 5.8458 36.0999 555525.1958 5.7650 5.6997 PRESSURE: 885400 63.1192 -1.35783 39.2336 -1.35894 19.7287 -5.99876 39.2328 -5.99762 56.0395 GPRESSURE: 885400 100.208 12.8142 71.2755 -35.0381 108.19 35.0291 55.5345 -132.492 28.0021 PRESSAVG: 885400 55.6563 -7.49692 24.5221 -7.49698 1.54557 -26.5523 24.522 -26.5525 -85.8614 GPRESSAVG: 885400 56.5195 -5.89544 27.0203 -11.1583 1.77046 -25.7824 24.2431 -28.7601 -86.927 TIMING: 885400 CPU: 2638.37, 0.00300371/step Wall: 2638.37, 0.00300371/step, 3.43307 hours remaining, 207.984375 MB of memory in use. ENERGY: 885400 739.4049 2045.0273 1934.3545 115.4366 -206483.8034 17978.1362 0.0000 0.0000 34412.9291 -149258.5149 300.5367 -183671.4439 -149163.6937 298.9543 46.2958 78.7999 556264.5129 -9.5532 -9.5457 PRESSURE: 885600 -216.247 61.1312 89.2427 61.1325 -38.5145 17.9998 89.2438 17.9991 31.3373 GPRESSURE: 885600 -179.913 69.1704 67.4347 54.9284 -12.4044 -26.5412 84.6889 83.1985 67.4933 PRESSAVG: 885600 -32.4043 -3.91323 -1.81376 -3.91319 -13.1062 25.8782 -1.81386 25.878 58.1936 GPRESSAVG: 885600 -33.8577 -5.25383 -4.33528 -2.32548 -12.6888 23.392 0.819103 29.0662 59.7163 TIMING: 885600 CPU: 2638.96, 0.00296704/step Wall: 2638.96, 0.00296704/step, 3.39099 hours remaining, 207.984375 MB of memory in use. ENERGY: 885600 747.4835 2123.7953 1938.6985 117.7522 -206473.7300 17779.8936 0.0000 0.0000 34478.5499 -149287.5570 301.1098 -183766.1069 -149192.8354 300.1267 -74.4746 -41.6081 555631.6843 4.2277 4.3899 PRESSURE: 885800 70.2463 25.2432 -15.7436 25.2429 -142.995 177.829 -15.7425 177.829 -115.767 GPRESSURE: 885800 90.9208 49.7524 1.29201 -89.8444 -107.672 205.087 -52.3284 158.032 -73.6752 PRESSAVG: 885800 -60.6477 36.4027 83.2149 36.4027 3.03613 14.7333 83.2148 14.7333 47.6797 GPRESSAVG: 885800 -59.7361 37.797 84.0889 35.6322 3.61143 16.6077 79.915 12.8837 46.6937 TIMING: 885800 CPU: 2639.55, 0.00297574/step Wall: 2639.55, 0.00297574/step, 3.40077 hours remaining, 207.984375 MB of memory in use. ENERGY: 885800 760.9598 2090.6988 1935.0679 119.3103 -206403.7318 17894.1485 0.0000 0.0000 34406.8652 -149196.6813 300.4837 -183603.5465 -149095.5643 299.4399 -62.8385 -30.1421 556838.1425 -3.3106 -3.1437 PRESSURE: 886000 -32.5583 -9.09524 149.245 -9.09648 -149.845 9.96672 149.246 9.96747 54.8882 GPRESSURE: 886000 -10.3186 96.8116 88.104 -108.311 -62.8659 79.4935 235.867 -27.6788 42.0766 PRESSAVG: 886000 2.45764 -11.2101 3.31269 -11.2101 -10.3358 22.3619 3.31269 22.362 37.7419 GPRESSAVG: 886000 3.08452 -12.7308 4.0631 -8.98172 -10.5627 24.6313 4.37999 20.2362 37.9885 TIMING: 886000 CPU: 2640.15, 0.00296021/step Wall: 2640.15, 0.00296021/step, 3.38286 hours remaining, 207.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 886000 756.5655 2162.7872 1949.1921 116.8217 -206461.1818 17900.8215 0.0000 0.0000 34300.1982 -149274.7957 299.5522 -183574.9939 -149180.4621 299.3962 -42.5051 -10.3693 556657.0964 9.9546 10.1701 PRESSURE: 886200 184.56 103.573 -114.429 103.572 229.827 29.4056 -114.428 29.4057 -23.765 GPRESSURE: 886200 208.696 27.7524 -104.149 208.931 280 18.0462 -60.5929 98.9244 -3.95134 PRESSAVG: 886200 -13.9039 17.3661 -25.0978 17.366 -33.0364 -7.15499 -25.0978 -7.15504 25.6722 GPRESSAVG: 886200 -14.1067 14.8129 -26.6895 18.8273 -33.1254 -8.7877 -24.5861 -5.36931 25.5384 TIMING: 886200 CPU: 2640.74, 0.00296254/step Wall: 2640.74, 0.00296254/step, 3.38536 hours remaining, 207.984375 MB of memory in use. ENERGY: 886200 718.4493 2125.0659 1984.6364 130.3465 -206532.5314 18138.3136 0.0000 0.0000 34205.1866 -149230.5330 298.7224 -183435.7196 -149126.3812 299.3235 130.2074 161.5814 557036.0434 -7.0894 -7.2313 PRESSURE: 886400 -199.242 134.289 -189.237 134.29 -196.313 -23.0815 -189.238 -23.0818 -173.439 GPRESSURE: 886400 -158.96 168.608 -167.311 98.3447 -214.256 70.3252 -146.842 -58.1746 -93.0469 PRESSAVG: 886400 -6.98599 -38.5731 -39.9182 -38.5731 1.41626 -0.0909536 -39.9182 -0.0910573 80.6868 GPRESSAVG: 886400 -7.68167 -35.5292 -39.9261 -41.5699 1.28964 -1.52175 -41.0399 1.51225 81.3083 TIMING: 886400 CPU: 2641.33, 0.0029741/step Wall: 2641.33, 0.0029741/step, 3.3984 hours remaining, 207.984375 MB of memory in use. ENERGY: 886400 763.3877 2140.5750 1942.7920 106.1583 -206097.6309 17593.5584 0.0000 0.0000 34237.3567 -149313.8029 299.0034 -183551.1596 -149211.8852 298.8379 -189.6648 -155.4210 557834.1180 25.0390 24.9721 PRESSURE: 886600 -404.438 -73.5568 60.1739 -73.5581 -2.08286 -30.515 60.1755 -30.5148 -145.478 GPRESSURE: 886600 -298.846 -54.6665 26.7488 -45.6349 -50.7669 -177.699 118.048 -21.5153 -103.74 PRESSAVG: 886600 28.978 20.0772 18.8823 20.0773 -63.9557 -48.5097 18.8823 -48.5097 43.7548 GPRESSAVG: 886600 29.0362 19.2543 18.4667 20.5297 -64.0414 -48.2346 21.4579 -51.3249 42.9299 TIMING: 886600 CPU: 2641.92, 0.00295057/step Wall: 2641.92, 0.00295057/step, 3.37135 hours remaining, 207.984375 MB of memory in use. ENERGY: 886600 779.8149 2144.0624 1948.5979 113.5099 -205920.5395 17600.6360 0.0000 0.0000 34172.4823 -149161.4359 298.4368 -183333.9183 -149072.7783 298.6908 -183.9995 -151.1176 559207.8369 2.9257 2.6416 PRESSURE: 886800 -192.076 -86.7338 -7.37646 -86.7343 115.156 -73.0368 -7.37752 -73.0386 285.694 GPRESSURE: 886800 -147.558 -6.48718 34.5189 -88.9331 140.781 -76.6675 -50.6289 -58.7224 313.37 PRESSAVG: 886800 2.20943 -21.7452 -20.9001 -21.7452 43.8139 1.80349 -20.9001 1.8035 -24.2288 GPRESSAVG: 886800 3.56675 -19.9152 -20.5055 -21.9619 43.571 1.66138 -21.5984 2.51316 -24.8022 TIMING: 886800 CPU: 2642.52, 0.00297701/step Wall: 2642.52, 0.00297701/step, 3.4014 hours remaining, 207.984375 MB of memory in use. ENERGY: 886800 722.3740 2116.4935 1968.2065 117.2211 -206008.3591 17766.3751 0.0000 0.0000 34178.1289 -149139.5600 298.4861 -183317.6889 -149029.7884 299.1162 69.5912 102.1975 557519.3769 7.2648 7.4452 PRESSURE: 887000 -13.1262 77.826 -95.2522 77.8251 -297.156 17.2875 -95.2513 17.2873 100.179 GPRESSURE: 887000 16.6024 52.7834 -44.7854 99.0445 -234.217 87.3115 -53.7778 55.5858 99.6867 PRESSAVG: 887000 -32.4734 29.0138 -21.5824 29.0137 0.149919 -5.02246 -21.5823 -5.02246 8.28132 GPRESSAVG: 887000 -34.0723 27.052 -21.1194 28.7484 1.30219 -4.25402 -20.955 -5.4785 8.85478 TIMING: 887000 CPU: 2643.11, 0.00297523/step Wall: 2643.11, 0.00297523/step, 3.3992 hours remaining, 207.984375 MB of memory in use. ENERGY: 887000 739.9989 2105.9620 1950.1548 108.5615 -205807.0878 17648.9542 0.0000 0.0000 34204.7071 -149048.7492 298.7182 -183253.4564 -148950.5914 298.8221 -70.0342 -39.3093 558569.2493 -8.0140 -7.9718 PRESSURE: 887200 -44.9683 109.177 178.321 109.177 -326.989 -1.17811 178.32 -1.1798 13.9947 GPRESSURE: 887200 38.6161 86.1863 211.548 144.043 -316.89 29.1946 146.843 24.7526 10.4937 PRESSAVG: 887200 -3.75719 49.0936 -18.8944 49.0936 -29.4029 7.24586 -18.8944 7.24596 17.8454 GPRESSAVG: 887200 -2.45891 50.3592 -20.7168 49.1485 -31.3013 6.37748 -21.7384 7.62026 18.3955 TIMING: 887200 CPU: 2643.71, 0.00296617/step Wall: 2643.71, 0.00296616/step, 3.38868 hours remaining, 207.984375 MB of memory in use. ENERGY: 887200 748.5278 2117.8030 1948.4879 129.8730 -206081.4967 17789.3403 0.0000 0.0000 34324.1201 -149023.3447 299.7611 -183347.4647 -148926.6055 299.5401 -119.3210 -89.2602 559495.7116 -5.1049 -5.1216 PRESSURE: 887400 -189.761 91.7306 -20.9055 91.7313 -21.1998 -15.763 -20.9061 -15.7638 149.286 GPRESSURE: 887400 -139.021 64.8366 -38.1282 26.7064 4.39283 -138.701 -33.0804 85.1572 177.659 PRESSAVG: 887400 44.5773 46.9333 -9.51055 46.9334 -45.4063 3.1801 -9.51057 3.1801 31.2064 GPRESSAVG: 887400 43.7008 46.2549 -7.46618 48.9035 -44.0355 4.6275 -9.47294 3.75762 31.1107 TIMING: 887400 CPU: 2644.3, 0.00298606/step Wall: 2644.3, 0.00298607/step, 3.41125 hours remaining, 207.984375 MB of memory in use. ENERGY: 887400 758.0169 2027.3231 1916.7984 108.5275 -206011.6382 17908.7655 0.0000 0.0000 34315.9446 -148976.2620 299.6897 -183292.2066 -148870.5116 299.4101 -20.5582 14.3435 559221.3211 10.1258 10.2587 PRESSURE: 887600 -121.245 53.5543 268.557 53.5532 147.921 43.3593 268.557 43.359 140.451 GPRESSURE: 887600 -42.0412 7.62473 248.607 86.4478 162.942 4.50393 259.615 13.1794 150.955 PRESSAVG: 887600 54.8253 12.3562 1.71167 12.3562 1.99384 81.6726 1.71174 81.6726 -47.6457 GPRESSAVG: 887600 54.5586 13.5278 1.98646 11.7928 2.29623 81.5706 1.57897 80.626 -47.7341 TIMING: 887600 CPU: 2644.9, 0.00297831/step Wall: 2644.9, 0.00297831/step, 3.40222 hours remaining, 207.984375 MB of memory in use. ENERGY: 887600 691.3087 2026.1107 1945.2397 115.2348 -206187.3466 17927.9509 0.0000 0.0000 34380.2212 -149101.2807 300.2510 -183481.5019 -149002.3583 300.1338 55.7088 90.6187 556513.7161 3.0578 3.0402 PRESSURE: 887800 -206.701 -10.4943 30.4957 -10.4924 -287.407 30.643 30.4948 30.6435 -55.4149 GPRESSURE: 887800 -118.913 89.1114 -0.691373 -35.5022 -276.57 65.5468 33.1442 0.791351 -61.9573 PRESSAVG: 887800 -27.6238 -4.55797 58.5421 -4.55802 -8.94183 74.7898 58.5422 74.7898 -35.3884 GPRESSAVG: 887800 -27.4643 -5.29566 57.0748 -4.11391 -9.56452 73.2299 58.3873 75.6276 -35.0891 TIMING: 887800 CPU: 2645.49, 0.00296449/step Wall: 2645.49, 0.00296449/step, 3.38627 hours remaining, 207.984375 MB of memory in use. ENERGY: 887800 728.9150 2066.5111 1915.7330 104.3563 -205907.1434 17407.2972 0.0000 0.0000 34489.0546 -149195.2763 301.2015 -183684.3308 -149094.7552 299.4054 -183.1743 -152.4802 555248.7477 -23.9847 -24.0393 PRESSURE: 888000 -113.29 84.7304 -20.0444 84.7307 43.0235 -198.393 -20.0456 -198.394 366.721 GPRESSURE: 888000 -107.855 31.6603 24.0717 45.6181 109.025 -256.278 -99.4911 -55.6653 395.259 PRESSAVG: 888000 -0.567523 51.479 13.4834 51.479 47.6077 38.4268 13.4834 38.4268 -53.1194 GPRESSAVG: 888000 0.319239 51.6734 15.2035 50.6289 47.5671 38.7228 13.4119 38.6343 -53.8063 TIMING: 888000 CPU: 2646.09, 0.00296122/step Wall: 2646.09, 0.00296122/step, 3.38237 hours remaining, 207.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 888000 727.2249 2104.8255 1938.1137 104.8568 -206344.4675 17851.9041 0.0000 0.0000 34419.7155 -149197.8269 300.5959 -183617.5424 -149103.9336 299.2032 98.8183 132.1430 555093.8847 -2.0264 -1.9733 PRESSURE: 888200 172.882 21.8739 61.0541 21.8734 -204.079 59.0909 61.054 59.09 -46.304 GPRESSURE: 888200 209.044 -6.70747 29.9147 -7.42609 -229.528 58.6775 73.1236 118.962 30.3594 PRESSAVG: 888200 6.59642 -26.2513 35.8692 -26.2514 -8.93471 12.2349 35.8691 12.2349 19.5469 GPRESSAVG: 888200 5.0321 -26.1967 34.4979 -27.0085 -8.96927 13.1989 36.7232 10.6679 21.4868 TIMING: 888200 CPU: 2646.68, 0.0029881/step Wall: 2646.68, 0.0029881/step, 3.41291 hours remaining, 207.984375 MB of memory in use. ENERGY: 888200 709.8610 2072.4754 1949.3248 123.1064 -206120.1963 17755.1093 0.0000 0.0000 34264.9040 -149245.4154 299.2439 -183510.3194 -149148.1848 299.9798 -25.8338 3.2918 557186.1865 5.7362 5.8499 LDB: ============= START OF LOAD BALANCING ============== 2650.23 LDB: ============== END OF LOAD BALANCING =============== 2650.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2650.23 LDB: ============= START OF LOAD BALANCING ============== 2650.54 LDB: Largest compute 4773 load 0.027117 is 22.9% of average load 0.118174 LDB: Average compute 0.001721 is 1.5% of average load 0.118174 LDB: TIME 2650.54 LOAD: AVG 0.118174 MAX 0.208268 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.703 MB LDB: TIME 2650.54 LOAD: AVG 0.118174 MAX 0.208268 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: TIME 2650.54 LOAD: AVG 0.118174 MAX 0.208268 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2650.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2650.55 PRESSURE: 888400 -134.457 112.956 53.0721 112.955 -70.1966 -92.703 53.0717 -92.7032 -318.399 GPRESSURE: 888400 -147.826 155.315 84.3316 114.252 -25.3112 -87.2475 52.8458 -80.8035 -262.758 PRESSAVG: 888400 -8.75533 -21.7993 19.0105 -21.7993 34.5046 -15.9667 19.0105 -15.9666 -39.2979 GPRESSAVG: 888400 -7.02454 -24.5414 19.6199 -20.7877 35.3373 -14.3348 19.8735 -15.115 -42.3628 TIMING: 888400 CPU: 2647.3, 0.00306263/step Wall: 2647.3, 0.00306263/step, 3.49787 hours remaining, 208.496094 MB of memory in use. ENERGY: 888400 729.2526 2099.5882 1944.4778 116.6299 -205996.4750 17687.5842 0.0000 0.0000 34140.1772 -149278.7651 298.1547 -183418.9423 -149187.4418 298.8569 -174.3509 -145.2985 558189.2187 -4.5162 -4.6834 PRESSURE: 888600 204.886 26.6023 137.822 26.6022 40.9505 -282.64 137.825 -282.64 23.3202 GPRESSURE: 888600 251.631 -6.1619 205.274 67.1251 57.4938 -302.068 161.826 -302.513 41.4351 PRESSAVG: 888600 60.4346 -8.2857 12.6474 -8.2857 -40.5995 7.20329 12.6475 7.20336 4.68286 GPRESSAVG: 888600 60.1775 -6.59103 12.7503 -7.14216 -41.1305 6.17419 12.4889 7.26756 5.4965 TIMING: 888600 CPU: 2647.9, 0.00299975/step Wall: 2647.9, 0.00299975/step, 3.42588 hours remaining, 208.699219 MB of memory in use. ENERGY: 888600 722.9647 2100.1444 1915.3775 124.0449 -206118.7343 17949.1063 0.0000 0.0000 34060.6979 -149246.3986 297.4605 -183307.0965 -149149.1437 298.5728 89.7188 116.8534 558324.4839 8.1727 8.1812 PRESSURE: 888800 -75.2363 -65.0024 -9.94776 -65.0024 -22.7085 40.7987 -9.94677 40.7992 -56.7253 GPRESSURE: 888800 -40.1666 -99.3298 -41.3671 -29.5414 0.314977 55.921 31.678 93.0608 -18.2491 PRESSAVG: 888800 -38.7049 38.2029 20.8094 38.2029 -14.4691 -5.84344 20.8094 -5.84353 -15.9934 GPRESSAVG: 888800 -39.4983 37.9476 18.4901 36.3615 -13.9377 -8.05038 20.6179 -5.68248 -16.2668 TIMING: 888800 CPU: 2648.49, 0.00299156/step Wall: 2648.49, 0.00299156/step, 3.41636 hours remaining, 208.699219 MB of memory in use. ENERGY: 888800 746.8234 2069.4230 1894.4145 114.3872 -206156.7274 17946.7830 0.0000 0.0000 34118.4150 -149266.4813 297.9646 -183384.8963 -149167.4655 298.7628 -51.5567 -19.3669 558418.7740 -23.0558 -23.2343 PRESSURE: 889000 0.982646 -20.4307 87.7975 -20.4315 -108.641 -185.077 87.7992 -185.078 -128.775 GPRESSURE: 889000 -16.812 16.5253 107.879 -189.615 -67.7121 -168.711 73.0576 -158.213 -55.3643 PRESSAVG: 889000 13.476 -30.6765 17.2234 -30.6765 -52.9795 -56.4175 17.2234 -56.4175 46.8171 GPRESSAVG: 889000 13.6507 -31.1327 19.5459 -30.3429 -53.489 -56.2126 18.3688 -54.931 47.6112 TIMING: 889000 CPU: 2649.1, 0.00300594/step Wall: 2649.1, 0.00300594/step, 3.43261 hours remaining, 208.699219 MB of memory in use. ENERGY: 889000 739.3066 2071.9654 1931.0208 101.3280 -206199.2849 17728.4869 0.0000 0.0000 34416.0460 -149211.1312 300.5639 -183627.1772 -149113.6258 298.8014 -78.8111 -46.6294 558370.2492 2.4379 2.5910 PRESSURE: 889200 -63.5238 -12.3359 93.5606 -12.3357 -76.7031 -150.286 93.56 -150.286 -303.802 GPRESSURE: 889200 -43.1316 36.8254 41.1055 -30.9008 -67.0918 -134.356 94.2032 -51.7099 -255.716 PRESSAVG: 889200 -34.7717 -19.4657 53.5307 -19.4657 28.1329 -21.0746 53.5306 -21.0746 25.0666 GPRESSAVG: 889200 -35.0883 -19.0284 52.3853 -19.6896 29.0962 -19.8826 53.6604 -21.4653 23.7826 TIMING: 889200 CPU: 2649.69, 0.00298622/step Wall: 2649.69, 0.00298621/step, 3.40993 hours remaining, 208.699219 MB of memory in use. ENERGY: 889200 773.0999 2019.3871 1915.8359 111.2252 -205736.3581 17622.7272 0.0000 0.0000 34218.2567 -149075.8263 298.8365 -183294.0830 -148984.7350 299.7897 -148.0095 -121.9799 557100.9760 6.1426 5.9302 PRESSURE: 889400 -8.75191 -142.152 -59.3168 -142.15 116.245 -85.4015 -59.3159 -85.3998 8.56204 GPRESSURE: 889400 -32.4435 -223.977 -88.7296 -87.5106 231.357 -173.715 -140.83 17.1565 3.11652 PRESSAVG: 889400 -5.37153 -16.1655 84.2134 -16.1654 -26.1194 24.1867 84.2132 24.1868 40.7812 GPRESSAVG: 889400 -5.14871 -14.4594 86.4131 -17.9327 -26.0447 22.7541 83.9005 25.2984 40.1888 TIMING: 889400 CPU: 2650.29, 0.00299835/step Wall: 2650.29, 0.00299835/step, 3.42361 hours remaining, 208.699219 MB of memory in use. ENERGY: 889400 719.7230 2059.6640 1933.2284 111.0924 -205967.1384 17764.7914 0.0000 0.0000 34380.7112 -148997.9280 300.2553 -183378.6393 -148897.9964 300.0399 38.6849 67.3432 558546.9469 3.0968 2.9985 PRESSURE: 889600 -146.618 6.7361 -26.5041 6.73672 -204.658 -60.7239 -26.5033 -60.7253 -130.177 GPRESSURE: 889600 -30.0833 26.2244 -11.0692 -93.6576 -228.276 -75.6371 -24.2182 -91.7042 -113.672 PRESSAVG: 889600 -37.5797 24.9938 39.4711 24.9938 17.2071 -8.43337 39.4711 -8.43337 44.1243 GPRESSAVG: 889600 -37.6379 22.5165 37.2728 25.1791 17.2 -7.79226 40.1413 -8.90797 44.7472 TIMING: 889600 CPU: 2650.89, 0.00300087/step Wall: 2650.89, 0.00300087/step, 3.42632 hours remaining, 208.699219 MB of memory in use. ENERGY: 889600 749.5085 2038.3812 1927.1286 106.4624 -205917.6325 17534.7422 0.0000 0.0000 34455.5433 -149105.8663 300.9088 -183561.4096 -149010.0684 299.9456 -160.4843 -124.0103 557383.5828 7.9172 8.1031 PRESSURE: 889800 59.7225 140.816 117.271 140.816 -383.084 -1.59166 117.271 -1.59071 -260.325 GPRESSURE: 889800 97.4773 130.853 102.456 210.407 -380.146 57.7092 175.165 -82.0291 -197.186 PRESSAVG: 889800 19.5081 -1.56829 9.60292 -1.56826 -33.9488 28.5707 9.60293 28.5708 34.7685 GPRESSAVG: 889800 19.5596 0.787612 10.3147 -1.6739 -34.0482 29.6385 9.93312 27.5581 35.1799 TIMING: 889800 CPU: 2651.5, 0.00301855/step Wall: 2651.5, 0.00301855/step, 3.44634 hours remaining, 208.699219 MB of memory in use. ENERGY: 889800 780.9473 2035.1765 1926.3532 115.0881 -205559.0979 17387.8317 0.0000 0.0000 34295.1293 -149018.5717 299.5079 -183313.7010 -148926.8458 299.9620 -194.5622 -159.9517 557651.5492 6.7759 6.8971 PRESSURE: 890000 -62.4421 -73.1839 101.449 -73.1838 -34.7947 51.6218 101.448 51.6199 48.935 GPRESSURE: 890000 8.16846 -36.933 166.77 -128.97 -9.79966 188.545 81.3739 -42.45 57.6644 PRESSAVG: 890000 59.3053 40.8859 23.0358 40.886 -51.7673 19.3207 23.0359 19.3207 67.3135 GPRESSAVG: 890000 59.2569 38.1908 24.3878 41.9312 -51.7111 16.8385 18.8605 20.1511 68.0584 TIMING: 890000 CPU: 2652.1, 0.00301156/step Wall: 2652.1, 0.00301156/step, 3.4382 hours remaining, 208.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 890000 732.1720 2144.3726 1942.9390 114.9792 -206286.2539 17892.7501 0.0000 0.0000 34388.3948 -149070.6462 300.3224 -183459.0409 -148976.2708 299.4032 -16.1006 18.6777 557980.3931 24.9505 25.2014 PRESSURE: 890200 -188.001 -18.8299 -51.2195 -18.8306 159.102 -60.9381 -51.2197 -60.9375 131.669 GPRESSURE: 890200 -119.703 21.79 14.9935 5.76478 181.298 -11.2308 -41.4878 -51.07 129.384 PRESSAVG: 890200 -13.7463 25.7305 -42.2481 25.7306 7.66902 -28.7706 -42.2482 -28.7706 45.2555 GPRESSAVG: 890200 -12.9251 27.7243 -42.3073 25.7418 7.02489 -29.0174 -41.0893 -30.2666 44.9624 TIMING: 890200 CPU: 2652.7, 0.00299913/step Wall: 2652.7, 0.00299913/step, 3.42384 hours remaining, 208.699219 MB of memory in use. ENERGY: 890200 748.3408 2057.9662 1916.8320 111.8783 -206245.1759 17953.5209 0.0000 0.0000 34401.1210 -149055.5167 300.4335 -183456.6377 -148965.5565 299.2290 34.2563 63.6594 557895.0070 13.0594 13.0207 PRESSURE: 890400 -66.6905 -81.8122 92.7531 -81.8116 -212.219 198.227 92.7525 198.228 -52.1339 GPRESSURE: 890400 -74.006 -58.0251 -16.0037 -21.5222 -155.688 253.945 101.058 195.631 6.25293 PRESSAVG: 890400 -50.5488 -30.81 -10.6507 -30.8101 -22.6678 27.6251 -10.6506 27.625 53.0119 GPRESSAVG: 890400 -49.674 -31.9934 -12.854 -29.7801 -21.9773 28.5952 -8.95808 28.6398 51.7462 TIMING: 890400 CPU: 2653.3, 0.00299207/step Wall: 2653.3, 0.00299207/step, 3.41562 hours remaining, 208.699219 MB of memory in use. ENERGY: 890400 741.3178 2034.5009 1944.1635 104.7846 -205660.4367 17560.3392 0.0000 0.0000 34216.9004 -149058.4304 298.8247 -183275.3308 -148950.7114 299.7285 -110.3480 -74.4803 556447.7531 -6.7349 -6.6350 PRESSURE: 890600 -50.7376 -40.4276 150.367 -40.428 -405.202 -18.4191 150.367 -18.4197 -17.6954 GPRESSURE: 890600 -29.3468 -105.412 100.638 -37.0878 -393.798 -33.2707 166.403 29.9661 40.7926 PRESSAVG: 890600 21.5743 -6.15984 11.2289 -6.15987 -35.7959 -2.51184 11.2289 -2.5118 6.75294 GPRESSAVG: 890600 19.1063 -5.62466 13.3764 -5.45505 -34.8196 -3.49438 9.76912 -3.37159 8.26172 TIMING: 890600 CPU: 2653.89, 0.00296014/step Wall: 2653.89, 0.00296014/step, 3.379 hours remaining, 208.699219 MB of memory in use. ENERGY: 890600 735.0856 2030.0410 1929.8315 111.9059 -205806.0603 17496.5353 0.0000 0.0000 34420.7175 -149081.9435 300.6047 -183502.6611 -148982.4279 299.7312 -157.8783 -127.4507 557228.8306 -2.4895 -2.4839 PRESSURE: 890800 -67.2008 -22.5194 -1.68294 -22.5187 -170.284 -28.3664 -1.6832 -28.3675 -149.703 GPRESSURE: 890800 -35.5438 -11.7793 -18.964 -23.3303 -114.071 24.4353 6.38 -50.3701 -151.531 PRESSAVG: 890800 3.79088 6.86419 22.336 6.86421 -3.79003 -31.2331 22.336 -31.2331 9.60393 GPRESSAVG: 890800 4.36464 6.43694 21.1293 5.46912 -4.5849 -30.4624 23.7015 -32.2285 9.29959 TIMING: 890800 CPU: 2654.49, 0.00298706/step Wall: 2654.49, 0.00298706/step, 3.40957 hours remaining, 208.699219 MB of memory in use. ENERGY: 890800 747.1256 2077.1341 1937.9910 113.5433 -205731.0383 17471.6361 0.0000 0.0000 34351.5715 -149032.0368 300.0008 -183383.6083 -148941.7814 299.4918 -129.0628 -100.3818 557376.3005 3.2016 3.0264 PRESSURE: 891000 54.0754 93.4251 -124.303 93.424 134.929 -74.8479 -124.302 -74.8482 -21.547 GPRESSURE: 891000 54.185 71.2511 -220.809 129.602 213.279 -109.011 -106.315 -130.998 -21.4505 PRESSAVG: 891000 68.5577 56.9778 3.59082 56.9777 -60.6047 -23.4227 3.59085 -23.4228 -37.9881 GPRESSAVG: 891000 69.389 57.0005 2.75613 56.4718 -61.2328 -24.2207 3.03152 -22.8427 -38.2484 TIMING: 891000 CPU: 2655.08, 0.00298728/step Wall: 2655.08, 0.00298728/step, 3.40965 hours remaining, 208.699219 MB of memory in use. ENERGY: 891000 732.9975 2110.5728 1946.4192 114.9625 -206051.3034 17895.1221 0.0000 0.0000 34371.2486 -148879.9807 300.1727 -183251.2293 -148779.3680 299.7182 55.8191 82.0045 557991.0695 -10.0117 -10.0307 PRESSURE: 891200 -98.1187 81.1507 -158.825 81.1497 -30.8678 35.495 -158.825 35.4948 -53.3988 GPRESSURE: 891200 -43.3383 64.2495 -242.034 63.1607 -27.5382 46.779 -91.5787 101.234 -11.1416 PRESSAVG: 891200 13.0409 58.9823 22.1161 58.9824 15.2727 -12.5868 22.1161 -12.5869 -11.2853 GPRESSAVG: 891200 12.7412 61.547 23.5437 58.8793 14.3969 -12.2652 21.8734 -10.19 -9.71426 TIMING: 891200 CPU: 2655.68, 0.00296358/step Wall: 2655.68, 0.00296358/step, 3.38243 hours remaining, 208.699219 MB of memory in use. ENERGY: 891200 729.2531 2114.0116 1898.9532 120.4044 -205784.0436 17688.7064 0.0000 0.0000 34240.9482 -148991.7666 299.0347 -183232.7149 -148896.4551 299.7285 -60.7951 -27.3394 558459.8217 5.6761 5.8079 PRESSURE: 891400 -33.2943 210.739 14.4773 210.741 5.61436 -1.10887 14.4763 -1.10935 14.6096 GPRESSURE: 891400 26.47 274.71 32.6474 181.831 16.007 18.1103 42.6246 -24.7548 34.6908 PRESSAVG: 891400 82.3517 6.0259 -10.4226 6.02587 -41.526 -24.9208 -10.4226 -24.9207 -62.7158 GPRESSAVG: 891400 81.8968 3.61652 -10.8084 6.62759 -39.6801 -22.9346 -9.4026 -25.4606 -63.7832 TIMING: 891400 CPU: 2656.27, 0.00295215/step Wall: 2656.27, 0.00295215/step, 3.36923 hours remaining, 208.699219 MB of memory in use. ENERGY: 891400 752.8205 2050.5828 1929.6541 116.1687 -206291.4842 17876.8024 0.0000 0.0000 34381.9446 -149183.5110 300.2661 -183565.4556 -149084.2064 300.2660 -4.3568 25.7226 557837.8149 -7.2967 -7.1888 PRESSURE: 891600 -337.075 -47.7008 -171.851 -47.7013 -150.539 57.7354 -171.852 57.7345 -21.7638 GPRESSURE: 891600 -307.846 -67.2572 -115.809 -87.6044 -108.077 13.4621 -125.719 41.1789 20.123 PRESSAVG: 891600 -19.8069 -12.6062 70.906 -12.6062 -3.19441 -25.9118 70.906 -25.9118 21.1976 GPRESSAVG: 891600 -20.3735 -13.1542 70.5029 -10.8324 -3.70235 -27.4448 71.941 -26.7838 21.484 TIMING: 891600 CPU: 2656.86, 0.00295055/step Wall: 2656.86, 0.00295055/step, 3.36723 hours remaining, 208.699219 MB of memory in use. ENERGY: 891600 750.4231 2083.3816 1913.4756 114.9941 -205765.1648 17519.1651 0.0000 0.0000 34175.3268 -149208.3985 298.4616 -183383.7253 -149113.3510 299.1737 -169.7926 -131.9333 558981.0143 -0.6012 -0.8639 PRESSURE: 891800 -224.291 54.3976 -173.483 54.3971 -364.655 37.156 -173.483 37.1558 -319.323 GPRESSURE: 891800 -218.262 -30.8086 -144.217 105.695 -311.97 134.911 -189.076 76.9476 -282.042 PRESSAVG: 891800 -28.8983 10.5532 -3.63139 10.5532 11.7312 -11.7021 -3.63143 -11.702 -13.752 GPRESSAVG: 891800 -28.8908 10.6714 -5.52678 7.69941 11.3361 -11.5821 -2.97947 -12.4563 -13.1556 TIMING: 891800 CPU: 2657.45, 0.00296025/step Wall: 2657.45, 0.00296025/step, 3.37813 hours remaining, 208.699219 MB of memory in use. ENERGY: 891800 759.9688 2048.0875 1909.8653 117.7499 -206007.6206 17636.0942 0.0000 0.0000 34319.3310 -149216.5238 299.7193 -183535.8548 -149118.1175 298.6484 -302.7562 -270.7579 559307.8581 -10.3064 -10.2367 PRESSURE: 892000 104.175 -30.82 54.7336 -30.8186 -48.7582 -207.409 54.7335 -207.408 -209.787 GPRESSURE: 892000 104.324 -73.1597 40.8017 -133.243 4.47643 -198.232 10.5712 -169.647 -172.982 PRESSAVG: 892000 7.16493 -52.2092 -20.6075 -52.2092 15.7621 -13.4092 -20.6076 -13.4093 13.9286 GPRESSAVG: 892000 7.44419 -50.78 -19.1799 -51.0649 16.198 -13.3007 -20.7202 -13.0678 13.293 TIMING: 892000 CPU: 2658.04, 0.00297456/step Wall: 2658.04, 0.00297456/step, 3.3943 hours remaining, 208.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 892000 768.0731 2095.8014 1922.9605 107.9914 -205858.2231 17646.8202 0.0000 0.0000 34197.7119 -149118.8646 298.6571 -183316.5765 -149017.4092 298.7134 -51.4566 -21.3941 558963.9746 12.2852 12.3118 PRESSURE: 892200 -162.934 -139.648 60.0667 -139.647 253.221 71.6368 60.0662 71.6357 38.3693 GPRESSURE: 892200 -128.766 -154.575 23.3251 -84.6267 286.157 34.1249 95.1163 -4.08065 59.4582 PRESSAVG: 892200 -3.44345 17.6617 59.2105 17.6617 56.0145 -25.2288 59.2105 -25.2288 -21.5805 GPRESSAVG: 892200 -2.51267 15.8583 58.7483 18.6892 56.1642 -24.6289 57.1224 -25.1918 -22.718 TIMING: 892200 CPU: 2658.64, 0.00296784/step Wall: 2658.64, 0.00296784/step, 3.38647 hours remaining, 208.699219 MB of memory in use. ENERGY: 892200 730.7200 2107.0990 1934.8588 101.3403 -206451.8657 18120.5432 0.0000 0.0000 34181.0926 -149276.2119 298.5120 -183457.3045 -149176.7421 299.0112 42.8855 72.2832 558370.7741 10.3302 10.3112 LDB: ============= START OF LOAD BALANCING ============== 2662.18 LDB: ============== END OF LOAD BALANCING =============== 2662.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2662.19 LDB: ============= START OF LOAD BALANCING ============== 2662.48 LDB: Largest compute 4773 load 0.027676 is 23.4% of average load 0.118139 LDB: Average compute 0.001720 is 1.5% of average load 0.118139 LDB: TIME 2662.49 LOAD: AVG 0.118139 MAX 0.203828 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.543 MB LDB: TIME 2662.49 LOAD: AVG 0.118139 MAX 0.203828 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.543 MB LDB: TIME 2662.49 LOAD: AVG 0.118139 MAX 0.203828 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.543 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2662.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2662.49 PRESSURE: 892400 144.539 -13.0663 -14.2461 -13.0662 165.871 -72.5676 -14.247 -72.5671 -166.702 GPRESSURE: 892400 202.597 -51.0234 -36.6145 51.3601 227.424 -105.637 39.8136 -24.7722 -193.408 PRESSAVG: 892400 -21.8883 28.8582 35.8852 28.8581 -7.43728 37.0025 35.8852 37.0025 -19.0339 GPRESSAVG: 892400 -21.4774 30.9495 37.9383 27.9421 -7.83148 34.3563 34.5647 40.1168 -18.8183 TIMING: 892400 CPU: 2659.24, 0.00302202/step Wall: 2659.24, 0.00302202/step, 3.44813 hours remaining, 206.125000 MB of memory in use. ENERGY: 892400 732.6979 2117.0860 1918.6262 103.1890 -206192.5032 17934.3911 0.0000 0.0000 34065.2983 -149321.2148 297.5007 -183386.5131 -149224.7423 298.7573 47.9029 78.8710 560121.6019 -16.1198 -16.0424 PRESSURE: 892600 -96.5405 174.011 123.713 174.011 36.7475 -51.9625 123.714 -51.9628 -80.1103 GPRESSURE: 892600 -51.5756 180.041 165.762 152.458 99.5345 -19.9263 93.4654 -1.32512 -87.3812 PRESSAVG: 892600 -30.3363 33.103 50.2071 33.1031 14.0326 -23.487 50.2071 -23.487 -47.8187 GPRESSAVG: 892600 -30.8222 32.8339 48.2587 34.6132 14.219 -22.4054 49.5422 -25.2099 -47.5121 TIMING: 892600 CPU: 2659.83, 0.00295475/step Wall: 2659.83, 0.00295475/step, 3.37121 hours remaining, 206.125000 MB of memory in use. ENERGY: 892600 732.5353 2111.6822 1900.8261 107.2424 -206149.5344 17786.8164 0.0000 0.0000 34217.9800 -149292.4521 298.8341 -183510.4321 -149191.8162 298.0887 -46.6344 -13.1408 557739.3666 -21.3741 -21.3718 PRESSURE: 892800 -167.124 -25.8198 98.2732 -25.8185 10.6973 -16.9993 98.2723 -16.9996 -373.068 GPRESSURE: 892800 -154.173 -66.6815 106.229 11.737 7.51234 -75.5359 157.363 59.8704 -302.166 PRESSAVG: 892800 40.084 36.8029 59.2012 36.8029 -8.08071 6.30076 59.2011 6.30069 -56.5161 GPRESSAVG: 892800 40.4072 35.3191 60.0485 38.0475 -8.93605 6.99629 59.7627 5.90628 -56.2176 TIMING: 892800 CPU: 2660.42, 0.00293731/step Wall: 2660.42, 0.00293731/step, 3.35114 hours remaining, 206.125000 MB of memory in use. ENERGY: 892800 772.8292 2101.6379 1943.6517 112.1683 -205912.6837 17511.9674 0.0000 0.0000 34111.4572 -149358.9721 297.9038 -183470.4293 -149262.6838 298.7905 -176.4981 -149.6087 559150.3103 -8.1710 -8.2488 PRESSURE: 893000 165.148 15.946 -61.2923 15.9439 93.5837 -153.657 -61.292 -153.656 -3.75494 GPRESSURE: 893000 226.786 -62.8605 24.861 36.1212 132.32 -132.059 -153.92 -198.768 0.0766391 PRESSAVG: 893000 32.2043 -22.0208 -8.1992 -22.0208 -23.8256 24.4967 -8.19922 24.4965 -23.9028 GPRESSAVG: 893000 31.1521 -21.6293 -10.6275 -22.524 -22.95 24.4798 -4.53212 24.6268 -22.9678 TIMING: 893000 CPU: 2661.02, 0.00297658/step Wall: 2661.02, 0.00297658/step, 3.39579 hours remaining, 206.125000 MB of memory in use. ENERGY: 893000 687.9759 2085.4072 1912.6863 129.2089 -206324.1291 17871.1883 0.0000 0.0000 34062.8859 -149574.7766 297.4797 -183637.6624 -149482.7694 298.1157 84.9922 119.7273 556712.8583 -5.1747 -4.9219 PRESSURE: 893200 -67.4818 4.49277 7.06654 4.49272 62.3365 -77.0166 7.06815 -77.0167 9.29301 GPRESSURE: 893200 -15.4041 -28.3958 -4.24068 70.3466 60.8108 -49.2599 85.7672 -83.0584 53.8679 PRESSAVG: 893200 16.9938 28.8216 24.9558 28.8216 -54.8018 8.21279 24.9559 8.21275 3.79492 GPRESSAVG: 893200 17.398 26.4869 26.4111 28.7388 -54.9323 8.52425 25.3025 8.65898 3.78355 TIMING: 893200 CPU: 2661.61, 0.0029692/step Wall: 2661.61, 0.0029692/step, 3.38719 hours remaining, 206.125000 MB of memory in use. ENERGY: 893200 737.3864 2076.8658 1923.7022 115.2488 -206442.3249 17959.7503 0.0000 0.0000 34187.3393 -149442.0321 298.5665 -183629.3714 -149348.8308 298.4865 1.3826 33.0915 556586.5962 -11.3377 -11.2503 PRESSURE: 893400 217.971 -11.3454 -2.98926 -11.3445 101.906 94.4809 -2.98982 94.4808 -383.584 GPRESSURE: 893400 269.037 -23.4842 -76.0219 44.6781 137.801 81.9696 -27.4532 124.658 -361.71 PRESSAVG: 893400 21.155 -26.4021 2.0306 -26.402 -7.81618 24.9727 2.03062 24.9728 13.8201 GPRESSAVG: 893400 20.7663 -24.1516 1.52722 -27.0045 -7.31091 24.8516 0.183464 24.7898 13.8 TIMING: 893400 CPU: 2662.21, 0.0030039/step Wall: 2662.21, 0.0030039/step, 3.42662 hours remaining, 206.125000 MB of memory in use. ENERGY: 893400 753.8621 2076.3558 1901.1103 108.5313 -206368.8542 17870.5512 0.0000 0.0000 34285.8008 -149372.6428 299.4264 -183658.4436 -149275.9042 298.6740 -21.2360 15.0427 557258.2615 9.0530 9.0851 PRESSURE: 893600 -287.793 141.79 113.383 141.791 -53.2598 -85.2584 113.382 -85.2584 167.358 GPRESSURE: 893600 -234.717 144.812 144.439 138.847 -14.2729 -54.5049 150.295 -75.1912 166.883 PRESSAVG: 893600 57.7215 0.329461 -4.58328 0.329483 -20.7286 60.1634 -4.58324 60.1636 -48.6283 GPRESSAVG: 893600 58.3128 -0.767464 -4.5066 0.234881 -21.7566 59.7004 -3.96483 61.1614 -48.4044 TIMING: 893600 CPU: 2662.8, 0.00296968/step Wall: 2662.8, 0.00296968/step, 3.38742 hours remaining, 206.125000 MB of memory in use. ENERGY: 893600 697.7149 2073.4442 1924.1929 114.4792 -206196.8104 17881.2803 0.0000 0.0000 34132.2400 -149373.4589 298.0853 -183505.6989 -149276.3152 298.7576 -57.8985 -27.3690 558855.1879 -3.8785 -3.9494 PRESSURE: 893800 119.641 -110.726 96.8246 -110.726 11.8772 150.478 96.826 150.479 85.3525 GPRESSURE: 893800 159.761 -163.44 100.016 -83.365 46.0058 203.536 58.856 93.9908 116.38 PRESSAVG: 893800 26.9756 44.5114 30.5559 44.5113 6.59811 -3.65451 30.5558 -3.65442 -41.8063 GPRESSAVG: 893800 27.8004 46.7769 30.2168 43.3531 6.28289 -4.23026 31.2707 -5.64898 -42.29 TIMING: 893800 CPU: 2663.4, 0.00297179/step Wall: 2663.4, 0.00297179/step, 3.38966 hours remaining, 206.125000 MB of memory in use. ENERGY: 893800 745.0575 2049.6377 1891.5448 108.5364 -206322.2696 17957.7254 0.0000 0.0000 34047.2793 -149522.4886 297.3434 -183569.7679 -149430.7175 298.6631 72.2901 107.3821 558139.6377 -2.7442 -2.7356 PRESSURE: 894000 24.7943 -46.1932 31.8238 -46.1937 -40.3477 -65.4593 31.8231 -65.4603 82.8046 GPRESSURE: 894000 -3.39843 -87.3503 83.9019 -21.9493 33.6882 -54.3193 43.8244 -42.595 136.812 PRESSAVG: 894000 69.7305 0.10788 9.89242 0.107824 -39.4716 14.0116 9.89237 14.0117 -70.1507 GPRESSAVG: 894000 68.3877 -1.63679 8.87682 1.35983 -38.2414 15.6752 8.85518 14.2716 -69.37 TIMING: 894000 CPU: 2663.99, 0.00296343/step Wall: 2663.99, 0.00296343/step, 3.37996 hours remaining, 206.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 894000 759.6197 1990.0593 1901.2476 115.7888 -206690.0700 17991.4993 0.0000 0.0000 34329.3214 -149602.5339 299.8065 -183931.8552 -149496.3825 298.4224 22.4171 55.7007 556846.5446 -13.2973 -13.0746 PRESSURE: 894200 -7.99326 -23.9158 -145.793 -23.9157 167.114 57.0053 -145.793 57.0055 -117.062 GPRESSURE: 894200 -16.3036 23.444 -52.5249 -2.14895 262.13 139.221 -114.065 -47.7124 -110.574 PRESSAVG: 894200 -26.5889 6.66633 40.6643 6.66631 31.1639 7.12832 40.6642 7.12838 -11.7073 GPRESSAVG: 894200 -25.0936 9.66468 42.4372 5.4173 29.3248 6.53033 39.0156 7.83783 -12.4069 TIMING: 894200 CPU: 2664.58, 0.00296006/step Wall: 2664.58, 0.00296006/step, 3.37595 hours remaining, 206.125000 MB of memory in use. ENERGY: 894200 725.9150 2074.9055 1915.7893 112.2591 -206578.2790 17929.5766 0.0000 0.0000 34145.9033 -149673.9304 298.2047 -183819.8337 -149574.2891 297.6034 14.0195 45.0841 558359.2572 -2.3774 -2.7252 PRESSURE: 894400 -101.446 182.936 62.4836 182.935 -124.752 104.18 62.4831 104.178 -418.333 GPRESSURE: 894400 -110.114 261.451 32.8222 100.275 -89.7611 58.9362 55.2687 188.974 -353.368 PRESSAVG: 894400 15.4839 9.99726 43.4237 9.9972 13.8771 26.6716 43.4237 26.6716 -7.03615 GPRESSAVG: 894400 14.1438 8.80359 40.8396 11.7248 14.3998 25.4739 45.5202 28.2264 -6.04862 TIMING: 894400 CPU: 2665.18, 0.00297198/step Wall: 2665.18, 0.00297198/step, 3.38938 hours remaining, 206.125000 MB of memory in use. ENERGY: 894400 755.5839 2024.1426 1918.9979 117.6425 -206020.0315 17513.7144 0.0000 0.0000 34089.7306 -149600.2196 297.7141 -183689.9502 -149502.3599 298.0630 -214.8438 -184.4143 557148.3226 7.4416 7.4983 PRESSURE: 894600 -437.075 73.9097 -157.849 73.9093 31.0963 -6.93785 -157.85 -6.93622 -196.943 GPRESSURE: 894600 -393.399 47.7308 -187.407 136.593 -10.2968 78.233 -104.28 -70.5366 -109.26 PRESSAVG: 894600 -30.9395 5.70853 5.61169 5.70863 37.2931 -0.998268 5.61174 -0.998312 -35.3404 GPRESSAVG: 894600 -31.3198 4.92267 6.68451 6.33649 37.4935 -1.62166 4.21155 -2.82734 -35.565 TIMING: 894600 CPU: 2665.77, 0.00298408/step Wall: 2665.77, 0.00298408/step, 3.40301 hours remaining, 206.125000 MB of memory in use. ENERGY: 894600 785.0628 2140.1645 1910.3875 119.0358 -206081.4014 17569.9767 0.0000 0.0000 33917.4638 -149639.3102 296.2096 -183556.7740 -149537.9933 297.9937 -200.9738 -170.9851 558099.9127 -9.6623 -9.7971 PRESSURE: 894800 -231.361 -8.7225 55.0638 -8.72268 130.911 128.952 55.0624 128.952 155.862 GPRESSURE: 894800 -112.864 -41.5934 137.944 -7.33557 123.29 90.4175 40.6327 141.26 148.029 PRESSAVG: 894800 -16.3518 24.9836 -0.108852 24.9837 73.8315 33.0478 -0.108858 33.0479 -20.5403 GPRESSAVG: 894800 -16.2959 24.009 -0.194503 25.1782 74.8983 36.9772 -0.764304 32.0277 -22.2645 TIMING: 894800 CPU: 2666.37, 0.00299239/step Wall: 2666.37, 0.00299239/step, 3.41232 hours remaining, 206.125000 MB of memory in use. ENERGY: 894800 729.3028 2163.3067 1947.4828 103.8277 -206534.8494 18025.0207 0.0000 0.0000 34271.6216 -149294.2871 299.3026 -183565.9087 -149200.5065 298.2878 18.4707 52.8182 557632.5618 12.3132 12.1126 PRESSURE: 895000 -56.2222 -109.294 46.171 -109.295 -57.1642 -103.996 46.1712 -103.996 98.1673 GPRESSURE: 895000 -59.7683 -104.044 89.2356 -30.2478 33.2992 -120.417 39.5661 -162.237 110.588 PRESSAVG: 895000 -87.8763 10.1478 28.9164 10.148 -6.62098 -42.0122 28.9163 -42.0123 113.628 GPRESSAVG: 895000 -88.4883 10.5347 30.7092 10.8507 -7.13754 -46.1679 28.4753 -40.0551 114.939 TIMING: 895000 CPU: 2666.97, 0.00298994/step Wall: 2666.97, 0.00298994/step, 3.40936 hours remaining, 206.125000 MB of memory in use. ENERGY: 895000 761.8362 2104.1263 1939.0584 107.6149 -206541.1535 17940.3684 0.0000 0.0000 34418.3163 -149269.8330 300.5837 -183688.1493 -149168.8720 299.2332 -5.0730 28.0397 558046.2747 6.3768 6.4377 PRESSURE: 895200 -155.178 226.044 83.2086 226.044 -467.664 85.4981 83.2079 85.4983 -38.0292 GPRESSURE: 895200 -82.4296 284.102 29.6389 205.198 -457.102 56.3646 69.9081 69.395 -17.3087 PRESSAVG: 895200 4.34774 27.4439 -7.92606 27.4438 -5.62364 -23.5261 -7.92601 -23.526 23.4848 GPRESSAVG: 895200 6.17389 27.7989 -9.58907 25.3561 -5.51561 -20.0422 -5.65007 -24.0207 22.1569 TIMING: 895200 CPU: 2667.57, 0.00299526/step Wall: 2667.57, 0.00299526/step, 3.41526 hours remaining, 206.125000 MB of memory in use. ENERGY: 895200 767.1102 2106.6775 1945.8171 115.0718 -205802.8114 17400.3162 0.0000 0.0000 34257.9800 -149209.8385 299.1835 -183467.8185 -149113.7476 299.6969 -220.2905 -185.6136 558209.3369 7.4030 7.6051 PRESSURE: 895400 126.534 129.877 61.0125 129.877 238.873 -78.2076 61.013 -78.2074 -22.6243 GPRESSURE: 895400 96.5516 105.884 204.831 133.819 282.614 -186.923 20.0942 20.7263 66.424 PRESSAVG: 895400 -40.0353 66.2245 52.3707 66.2246 -29.3962 -60.1594 52.3707 -60.1594 17.0864 GPRESSAVG: 895400 -41.0662 66.5503 53.6381 66.9721 -29.7081 -62.4623 49.6861 -58.4355 18.2379 TIMING: 895400 CPU: 2668.16, 0.0029614/step Wall: 2668.16, 0.0029614/step, 3.37649 hours remaining, 206.125000 MB of memory in use. ENERGY: 895400 738.5398 2064.3154 1941.8662 110.4413 -206218.3168 17905.7133 0.0000 0.0000 34187.8487 -149269.5920 298.5710 -183457.4408 -149177.1793 298.8380 114.2612 148.5298 556406.9684 -17.4484 -17.5121 PRESSURE: 895600 177.222 93.5051 4.24811 93.5032 133.337 -95.8256 4.24826 -95.8233 -6.88996 GPRESSURE: 895600 207.73 97.6215 -52.9002 94.2924 206.689 -119.159 -65.6497 -71.4634 -13.2297 PRESSAVG: 895600 -0.12909 30.9 -43.336 30.8999 -43.6904 -27.7162 -43.336 -27.7163 24.8091 GPRESSAVG: 895600 0.213889 30.9929 -44.4068 30.1677 -43.8532 -26.4922 -42.2467 -30.5105 24.7274 TIMING: 895600 CPU: 2668.76, 0.00298329/step Wall: 2668.76, 0.00298329/step, 3.40128 hours remaining, 206.125000 MB of memory in use. ENERGY: 895600 748.1247 2136.8249 1922.5948 112.8942 -206663.2772 18137.4406 0.0000 0.0000 34248.0514 -149357.3466 299.0968 -183605.3980 -149263.7349 298.9378 101.2231 133.7297 556858.0794 -6.3368 -6.3040 PRESSURE: 895800 79.8196 -65.2489 -93.9288 -65.2493 -102.993 -57.4591 -93.928 -57.4576 -57.0491 GPRESSURE: 895800 116.079 -113.311 -114.462 -73.4078 -73.9143 -119.775 -80.1146 57.2425 -31.6557 PRESSAVG: 895800 -39.8376 75.7539 -40.4527 75.754 38.0187 -30.4549 -40.4527 -30.4549 19.1045 GPRESSAVG: 895800 -39.9207 75.2514 -41.3864 75.3423 37.4606 -30.5444 -37.6442 -26.7464 19.5404 TIMING: 895800 CPU: 2669.35, 0.00297556/step Wall: 2669.35, 0.00297556/step, 3.39231 hours remaining, 206.125000 MB of memory in use. ENERGY: 895800 762.8166 2084.5242 1960.2848 109.0339 -206354.6953 17901.6263 0.0000 0.0000 34178.2246 -149358.1849 298.4869 -183536.4095 -149260.8858 298.7204 -26.7407 3.5029 556852.9985 5.7619 5.6935 PRESSURE: 896000 172.26 -117.675 -143.836 -117.676 -157.46 -46.7429 -143.838 -46.7428 60.4695 GPRESSURE: 896000 194.818 -102.641 -221.05 -165.022 -110.357 -18.7785 -117.369 -65.0539 93.7371 PRESSAVG: 896000 -73.8763 21.1484 -15.3132 21.1484 -43.5812 2.82494 -15.3132 2.82493 63.0198 GPRESSAVG: 896000 -73.5833 22.5015 -15.6086 21.7232 -42.8927 3.28566 -17.4775 0.123028 62.5629 TIMING: 896000 CPU: 2669.95, 0.00298479/step Wall: 2669.95, 0.00298479/step, 3.40266 hours remaining, 206.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 896000 754.7596 2097.8975 1920.7442 110.7860 -206419.4990 17954.1692 0.0000 0.0000 34419.5486 -149161.5938 300.5945 -183581.1424 -149062.9458 298.9228 25.0900 59.3994 556401.0857 -18.1459 -17.9710 PRESSURE: 896200 -183.82 23.6984 -51.1608 23.6986 -11.1418 -53.5514 -51.1605 -53.5507 140.158 GPRESSURE: 896200 -142.893 92.3266 8.13985 64.2189 10.7337 66.1303 -83.2916 -94.1308 172.136 PRESSAVG: 896200 49.9389 -15.0453 -34.1469 -15.0453 -111.887 -1.28626 -34.1469 -1.28624 14.168 GPRESSAVG: 896200 50.6692 -15.9593 -32.6823 -13.8905 -112.127 -3.63611 -34.2912 1.97934 14.1921 TIMING: 896200 CPU: 2670.54, 0.00294607/step Wall: 2670.54, 0.00294607/step, 3.35836 hours remaining, 206.125000 MB of memory in use. ENERGY: 896200 775.3776 2114.1198 1936.3985 112.2608 -206475.3563 17799.8363 0.0000 0.0000 34388.1085 -149349.2548 300.3199 -183737.3633 -149251.2234 299.3181 -18.2680 13.3254 557085.3149 -15.9268 -15.7553 LDB: ============= START OF LOAD BALANCING ============== 2674.08 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2674.08 LDB: =============== DONE WITH MIGRATION ================ 2674.09 LDB: ============= START OF LOAD BALANCING ============== 2674.38 LDB: Largest compute 4773 load 0.027563 is 23.3% of average load 0.118127 LDB: Average compute 0.001729 is 1.5% of average load 0.118127 LDB: TIME 2674.39 LOAD: AVG 0.118127 MAX 0.207746 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.148 MB LDB: TIME 2674.39 LOAD: AVG 0.118127 MAX 0.207746 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.211 MB LDB: TIME 2674.39 LOAD: AVG 0.118127 MAX 0.207746 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.211 MB LDB: ============== END OF LOAD BALANCING =============== 2674.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2674.39 PRESSURE: 896400 155.463 47.5634 -15.2351 47.5641 -192.719 77.5888 -15.2358 77.589 -60.2978 GPRESSURE: 896400 164.801 100.173 9.03158 18.329 -123.471 44.6254 41.9799 42.4422 -52.2808 PRESSAVG: 896400 18.2629 66.5275 -19.5724 66.5275 19.5831 35.057 -19.5724 35.0571 -41.7859 GPRESSAVG: 896400 17.0909 67.4841 -18.9358 64.5073 18.5768 37.3168 -20.982 33.096 -39.8684 TIMING: 896400 CPU: 2671.14, 0.00302116/step Wall: 2671.14, 0.00302116/step, 3.44379 hours remaining, 206.636719 MB of memory in use. ENERGY: 896400 756.8041 2007.9856 1923.3333 116.9828 -206006.0574 17610.9025 0.0000 0.0000 34325.6061 -149264.4430 299.7741 -183590.0492 -149168.6817 298.7370 -32.5181 -3.6503 556386.4716 -1.3133 -1.4002 PRESSURE: 896600 -75.6708 251.42 18.0143 251.421 -191.505 97.4288 18.014 97.4296 -20.103 GPRESSURE: 896600 -44.5672 201.332 5.19261 249.206 -117.195 18.7518 18.9275 82.9868 -21.0164 PRESSAVG: 896600 22.8652 18.9501 -3.41267 18.9502 -35.6194 79.8057 -3.41268 79.8057 -26.9265 GPRESSAVG: 896600 23.9638 16.3375 -3.17172 22.2441 -36.1362 81.7157 -3.70141 78.0521 -27.7879 TIMING: 896600 CPU: 2671.74, 0.002985/step Wall: 2671.74, 0.002985/step, 3.40241 hours remaining, 206.636719 MB of memory in use. ENERGY: 896600 790.9232 2102.7439 1961.1487 117.8222 -206300.0579 17849.1701 0.0000 0.0000 34121.5089 -149356.7409 297.9916 -183478.2498 -149269.6525 298.9214 -95.7597 -60.9263 556296.8665 -13.2269 -13.3201 PRESSURE: 896800 280.662 -26.4305 -52.8899 -26.4295 -146.455 160.576 -52.889 160.575 4.00127 GPRESSURE: 896800 352.618 103.107 7.35072 -82.7464 -143.494 96.4987 -98.5082 196.295 18.4801 PRESSAVG: 896800 16.0128 66.4785 1.561 66.4786 -9.51731 43.1753 1.56101 43.1751 3.6119 GPRESSAVG: 896800 14.0533 68.7917 0.0606077 64.3917 -7.63186 40.4201 2.92282 44.4325 3.28712 TIMING: 896800 CPU: 2672.34, 0.00298237/step Wall: 2672.34, 0.00298237/step, 3.39923 hours remaining, 206.636719 MB of memory in use. ENERGY: 896800 735.4261 2114.0072 1928.9043 113.5601 -206191.5629 17828.3314 0.0000 0.0000 34136.4227 -149334.9111 298.1219 -183471.3339 -149242.7318 299.6847 46.0695 75.8683 555915.8243 3.3691 3.2362 PRESSURE: 897000 1.09173 143.882 37.4035 143.882 -124.982 -131.791 37.4035 -131.792 -30.2305 GPRESSURE: 897000 52.8254 167.823 49.8365 155.18 -140.008 -114.55 -14.0413 -182.128 33.0544 PRESSAVG: 897000 -18.262 33.3626 -22.5347 33.3626 47.935 17.6438 -22.5348 17.6438 -11.258 GPRESSAVG: 897000 -18.3986 32.3803 -22.8443 33.7114 47.3423 17.9509 -19.9774 16.0915 -10.4922 TIMING: 897000 CPU: 2672.93, 0.0029851/step Wall: 2672.93, 0.0029851/step, 3.40218 hours remaining, 206.636719 MB of memory in use. ENERGY: 897000 758.6951 2087.6805 1920.5127 117.3138 -206007.4145 17461.7369 0.0000 0.0000 34406.2726 -149255.2029 300.4785 -183661.4755 -149158.6753 298.6267 -51.3734 -18.0426 556631.4875 6.1383 6.1505 PRESSURE: 897200 141.324 12.5954 -93.9075 12.5942 -105.675 -102.143 -93.9068 -102.142 -28.1045 GPRESSURE: 897200 183.53 99.7065 -22.8369 50.1112 -104.785 -94.3959 -53.3399 -32.4813 31.571 PRESSAVG: 897200 8.37158 -18.4781 -55.1338 -18.478 -88.4368 -18.4371 -55.1339 -18.4372 100.779 GPRESSAVG: 897200 8.50612 -17.6649 -54.6364 -19.6023 -87.2151 -17.45 -57.3689 -18.4076 99.3132 TIMING: 897200 CPU: 2673.53, 0.0029687/step Wall: 2673.53, 0.0029687/step, 3.38333 hours remaining, 206.636719 MB of memory in use. ENERGY: 897200 734.7468 2142.2465 1915.1183 104.4512 -206139.4872 17845.1042 0.0000 0.0000 34301.0248 -149096.7954 299.5594 -183397.8202 -148998.5458 299.3512 2.5149 36.7717 556677.7516 6.9046 6.8681 PRESSURE: 897400 -61.693 -43.3732 44.7991 -43.3722 -80.8819 -28.7279 44.7983 -28.7258 -76.7962 GPRESSURE: 897400 10.7286 -11.1312 18.885 -76.3815 -69.729 -25.1945 31.5524 6.03745 -62.8219 PRESSAVG: 897400 49.051 35.289 -45.3501 35.2891 -20.1788 60.2822 -45.3501 60.2822 -36.2334 GPRESSAVG: 897400 50.1108 35.2907 -45.5827 36.0109 -21.6081 57.8483 -44.1195 61.5372 -35.7346 TIMING: 897400 CPU: 2674.12, 0.00296388/step Wall: 2674.12, 0.00296388/step, 3.37767 hours remaining, 206.636719 MB of memory in use. ENERGY: 897400 755.8064 2131.9088 1916.9228 116.6442 -206282.6705 17749.1635 0.0000 0.0000 34599.0243 -149013.2005 302.1619 -183612.2247 -148919.2449 300.3158 -73.1237 -40.6074 556887.4636 -2.4537 -2.4106 PRESSURE: 897600 -84.1915 152.425 -77.1825 152.425 -257.326 0.81197 -77.1824 0.812987 96.0751 GPRESSURE: 897600 -95.1682 149.797 -53.7863 104.347 -210.588 -43.5255 -161.535 -7.95908 156.032 PRESSAVG: 897600 7.94441 82.7704 1.1897 82.7703 -45.3684 28.6249 1.18964 28.6248 79.9668 GPRESSAVG: 897600 7.33933 83.0146 -0.52074 80.2208 -45.4576 29.5168 1.02895 29.3616 80.0518 TIMING: 897600 CPU: 2674.71, 0.00294783/step Wall: 2674.71, 0.00294783/step, 3.35922 hours remaining, 206.636719 MB of memory in use. ENERGY: 897600 734.8193 2153.5064 1916.1094 118.2451 -205821.0754 17645.2201 0.0000 0.0000 34257.9280 -148995.2472 299.1830 -183253.1752 -148900.8290 300.1124 -81.8141 -49.9079 557593.3208 14.1809 13.9779 PRESSURE: 897800 -165.395 32.606 -142.204 32.6064 -89.4345 -27.6259 -142.204 -27.6263 127.049 GPRESSURE: 897800 -116.266 31.6789 -139.084 91.4161 -21.7526 28.1756 -174.894 8.15874 103.194 PRESSAVG: 897800 4.80096 105.521 17.9357 105.521 -22.5828 37.3196 17.9358 37.3197 1.62431 GPRESSAVG: 897800 4.23937 104.772 19.1039 109.313 -22.0841 38.532 16.9906 35.9765 1.64614 TIMING: 897800 CPU: 2675.3, 0.00294566/step Wall: 2675.3, 0.00294566/step, 3.35658 hours remaining, 206.636719 MB of memory in use. ENERGY: 897800 741.1207 2138.6670 1940.5716 105.5997 -206407.9863 17888.3359 0.0000 0.0000 34364.8341 -149228.8571 300.1166 -183593.6913 -149135.0539 299.8392 -42.5935 -11.6081 557674.7121 -5.3858 -5.3995 PRESSURE: 898000 -194.877 -201.394 92.4829 -201.392 -253.399 -49.4219 92.4835 -49.4218 -182.149 GPRESSURE: 898000 -98.4082 -143.631 -0.380643 -204.849 -248.681 -21.1394 138.17 -100.619 -185.568 PRESSAVG: 898000 -54.5247 25.606 14.962 25.606 51.6035 70.6122 14.9619 70.6122 -30.0599 GPRESSAVG: 898000 -52.1233 25.8139 15.7579 22.9053 50.092 70.5389 16.1793 71.0529 -30.2551 TIMING: 898000 CPU: 2675.89, 0.0029751/step Wall: 2675.89, 0.0029751/step, 3.38997 hours remaining, 206.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 898000 762.0877 2085.7234 1953.8874 116.3688 -205947.7428 17598.6192 0.0000 0.0000 34293.7739 -149137.2823 299.4961 -183431.0561 -149045.6153 299.6593 -210.1415 -177.5522 558875.9039 -10.9937 -10.7621 PRESSURE: 898200 -127.991 93.7469 44.4452 93.7459 -118.875 -149.502 44.4464 -149.502 -172.332 GPRESSURE: 898200 -110.745 97.292 10.679 26.0663 -138.862 -174.058 -9.75343 -66.0587 -73.6607 PRESSAVG: 898200 -53.0562 -15.3417 67.4807 -15.3417 39.6434 14.5772 67.4806 14.5771 -7.92006 GPRESSAVG: 898200 -53.6593 -14.1195 67.3615 -14.6215 39.8888 12.6061 66.5259 16.0921 -7.72346 TIMING: 898200 CPU: 2676.49, 0.00298941/step Wall: 2676.49, 0.00298941/step, 3.4061 hours remaining, 206.636719 MB of memory in use. ENERGY: 898200 751.2969 2115.0487 1919.9734 96.5817 -206031.2547 17754.9754 0.0000 0.0000 34300.8920 -149092.4865 299.5582 -183393.3785 -148995.6599 299.8985 -139.7331 -107.7560 558585.7506 -7.1110 -7.1647 PRESSURE: 898400 138.295 -31.0247 -90.9461 -31.0233 169.817 104.583 -90.9465 104.582 -255.471 GPRESSURE: 898400 101.019 -58.374 -68.0647 36.7299 209.035 30.7115 -18.0505 187.639 -182.757 PRESSAVG: 898400 40.2591 33.0655 45.0633 33.0655 -64.0657 -4.41722 45.0632 -4.41711 -45.362 GPRESSAVG: 898400 39.0905 31.8989 47.915 34.0518 -63.6899 -1.77375 45.6767 -5.99072 -44.3684 TIMING: 898400 CPU: 2677.08, 0.00296037/step Wall: 2677.08, 0.00296037/step, 3.37284 hours remaining, 206.636719 MB of memory in use. ENERGY: 898400 751.9003 2120.9963 1929.4999 115.8772 -206366.7639 17877.3868 0.0000 0.0000 34485.1736 -149085.9300 301.1676 -183571.1035 -148989.6609 299.2391 17.5469 42.4323 558624.7803 -23.0562 -22.9893 PRESSURE: 898600 -223.316 -106.479 -67.7462 -106.48 -105.926 198.795 -67.7446 198.795 7.77578 GPRESSURE: 898600 -208.449 -96.1786 -57.8562 -97.1537 -43.4005 124.868 -76.0027 149.333 23.2084 PRESSAVG: 898600 -7.24937 35.0029 -17.9531 35.0029 22.9816 -30.8953 -17.9531 -30.8953 2.15881 GPRESSAVG: 898600 -7.05743 36.0735 -20.7411 33.4596 23.7801 -31.8972 -17.3889 -30.0587 0.518311 TIMING: 898600 CPU: 2677.68, 0.00297566/step Wall: 2677.68, 0.00297566/step, 3.3901 hours remaining, 206.636719 MB of memory in use. ENERGY: 898600 697.6149 2028.1638 1935.9992 109.3191 -205741.5227 17575.8130 0.0000 0.0000 34384.2632 -149010.3496 300.2863 -183394.6128 -148919.9838 300.3856 -107.1555 -76.2137 558943.5277 5.9637 5.7470 PRESSURE: 898800 -39.8675 52.728 59.036 52.7282 5.85477 52.0408 59.0362 52.042 -87.2386 GPRESSURE: 898800 29.1721 37.4757 47.7148 54.1925 36.83 35.4422 83.5933 118.97 -92.8457 PRESSAVG: 898800 -85.0666 -48.3652 1.35803 -48.3652 -2.03382 13.8646 1.35798 13.8647 57.2937 GPRESSAVG: 898800 -84.0146 -49.8087 0.831184 -47.0221 -2.20938 14.9925 1.12356 10.8271 56.2823 TIMING: 898800 CPU: 2678.27, 0.00295948/step Wall: 2678.27, 0.00295948/step, 3.37151 hours remaining, 206.636719 MB of memory in use. ENERGY: 898800 746.7831 2057.1987 1903.9838 106.9297 -205883.2419 17812.4750 0.0000 0.0000 34433.3316 -148822.5401 300.7148 -183255.8716 -148718.6615 299.5693 -40.4171 -8.9479 559888.9639 -9.9356 -9.9806 PRESSURE: 899000 119.996 -169.848 -69.0612 -169.848 234.468 123.83 -69.0615 123.83 238.905 GPRESSURE: 899000 156.086 -117.819 -106.439 -183.078 258.502 192.884 -128.464 47.3813 276.113 PRESSAVG: 899000 -38.3138 -18.436 -32.6053 -18.4361 46.7234 -6.20332 -32.6055 -6.20337 -15.9806 GPRESSAVG: 899000 -38.7925 -16.8869 -32.5777 -19.2336 45.6959 -8.3807 -31.5036 -2.13187 -15.1279 TIMING: 899000 CPU: 2678.86, 0.00294173/step Wall: 2678.86, 0.00294173/step, 3.35112 hours remaining, 206.636719 MB of memory in use. ENERGY: 899000 740.6837 2035.6090 1885.3383 112.1363 -206016.3832 18091.6966 0.0000 0.0000 34345.9379 -148804.9813 299.9516 -183150.9192 -148712.2898 300.3723 197.7895 230.2339 559408.1433 -2.5237 -2.7415 PRESSURE: 899200 -59.6307 -65.0488 -30.6493 -65.0491 -41.029 -109.082 -30.6489 -109.08 136.418 GPRESSURE: 899200 -27.0491 -101.115 -75.5537 -63.745 -13.9872 -232.39 -36.6194 -71.8151 165.762 PRESSAVG: 899200 -16.714 -45.7575 -24.1397 -45.7575 33.8907 35.1559 -24.1397 35.1559 20.7247 GPRESSAVG: 899200 -16.8033 -46.8296 -23.6629 -44.745 33.9432 37.2942 -25.2572 32.136 20.8093 TIMING: 899200 CPU: 2679.45, 0.00296296/step Wall: 2679.45, 0.00296296/step, 3.37514 hours remaining, 206.636719 MB of memory in use. ENERGY: 899200 711.3022 2126.3857 1903.6518 126.2564 -205953.1520 17782.7797 0.0000 0.0000 34573.7586 -148729.0177 301.9412 -183302.7763 -148634.7212 300.4221 11.9195 41.5752 559374.2470 12.6338 12.6498 PRESSURE: 899400 61.6698 201.798 104.555 201.799 68.2351 105.121 104.554 105.122 28.5501 GPRESSURE: 899400 84.4107 159.825 69.9156 245.875 88.5835 51.2567 93.2241 86.5294 74.1607 PRESSAVG: 899400 -40.7292 19.7313 -20.6764 19.7313 62.9252 12.4507 -20.6765 12.4506 -20.4223 GPRESSAVG: 899400 -42.187 19.3666 -23.5809 17.8579 63.9239 10.2364 -20.9495 14.4241 -19.8976 TIMING: 899400 CPU: 2680.05, 0.00297628/step Wall: 2680.05, 0.00297628/step, 3.39015 hours remaining, 206.636719 MB of memory in use. ENERGY: 899400 762.6478 2068.5944 1924.9676 99.9546 -205887.5327 17937.8828 0.0000 0.0000 34257.9075 -148835.5778 299.1828 -183093.4853 -148736.9577 299.5685 52.8184 82.3849 557702.8699 0.5912 0.6131 PRESSURE: 899600 -221.439 99.3829 -58.5835 99.3844 -36.8981 66.7747 -58.5825 66.7751 139.498 GPRESSURE: 899600 -143.276 152.274 -108.95 45.4686 -32.7323 41.126 -50.0978 124.474 164.832 PRESSAVG: 899600 -35.8266 23.7327 -5.61466 23.7327 61.9546 21.7059 -5.61466 21.7059 13.6486 GPRESSAVG: 899600 -34.7763 22.0798 -0.503804 25.8716 60.8317 24.3779 -7.92218 19.7594 13.4549 TIMING: 899600 CPU: 2680.64, 0.00297922/step Wall: 2680.64, 0.00297922/step, 3.39333 hours remaining, 206.636719 MB of memory in use. ENERGY: 899600 736.3018 2074.8023 1933.4411 110.0844 -205966.1710 17984.6349 0.0000 0.0000 34413.0318 -148713.8747 300.5376 -183126.9065 -148613.9058 300.0786 -39.6128 -3.7254 559730.3768 13.2589 13.1701 PRESSURE: 899800 -96.1194 91.3644 45.8748 91.3653 48.5083 -95.3463 45.8749 -95.3463 118.793 GPRESSURE: 899800 -51.9446 72.3615 -3.94339 13.788 55.5011 -62.7453 119.941 -152.722 162.992 PRESSAVG: 899800 -27.2802 -20.1603 40.4532 -20.1603 -31.3221 -4.18634 40.4532 -4.18634 83.4026 GPRESSAVG: 899800 -27.8937 -17.2408 39.6129 -24.11 -31.7202 -5.12431 40.4537 -1.87515 84.3759 TIMING: 899800 CPU: 2681.24, 0.0029711/step Wall: 2681.24, 0.0029711/step, 3.38391 hours remaining, 206.636719 MB of memory in use. ENERGY: 899800 742.7372 1979.2810 1921.5763 111.5067 -205773.6681 17777.4947 0.0000 0.0000 34577.6404 -148663.4317 301.9751 -183241.0721 -148555.8901 300.0243 23.7273 55.5163 559480.1242 8.2668 8.2540 PRESSURE: 900000 -100.801 113.829 131.261 113.828 -150.057 5.1187 131.261 5.11968 -89.6983 GPRESSURE: 900000 -58.3179 158.056 154.066 101.41 -166.11 -60.6049 74.824 45.2927 -21.6676 PRESSAVG: 900000 -8.55954 8.58249 29.349 8.58245 0.199888 -30.1387 29.349 -30.1387 11.2259 GPRESSAVG: 900000 -7.83762 7.86032 27.464 11.8044 0.763083 -29.6769 30.1842 -32.025 9.79363 TIMING: 900000 CPU: 2681.83, 0.00297224/step Wall: 2681.83, 0.00297224/step, 3.38505 hours remaining, 206.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 900000 727.9501 2104.7460 1954.2920 111.3504 -205462.9460 17464.8668 0.0000 0.0000 34584.9375 -148514.8033 302.0389 -183099.7408 -148428.4085 301.0054 -113.5186 -82.0320 560331.2646 0.9554 0.9064 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 900000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 900000 WRITING COORDINATES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART COORDINATES The last position output (seq=900000) takes 0.010 seconds, 206.637 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 900200 65.7788 85.4838 -236.759 85.4829 144.417 110.645 -236.761 110.643 410.192 GPRESSURE: 900200 115.215 120.075 -224.828 48.3472 148.447 24.116 -213.337 85.5184 439.069 PRESSAVG: 900200 -34.9323 -35.3285 -7.45097 -35.3287 -28.6552 40.3685 -7.45088 40.3685 57.6608 GPRESSAVG: 900200 -33.2986 -35.458 -7.31551 -36.4009 -28.8578 38.1979 -6.33567 41.3842 56.8015 TIMING: 900200 CPU: 2682.44, 0.00303347/step Wall: 2682.44, 0.00303347/step, 3.45462 hours remaining, 206.636719 MB of memory in use. ENERGY: 900200 720.0149 2113.6772 1971.4358 118.6853 -206126.8618 18062.3949 0.0000 0.0000 34342.3029 -148798.3507 299.9199 -183140.6536 -148693.7597 300.0657 206.7960 234.2437 557612.3994 -1.9756 -1.7850 LDB: ============= START OF LOAD BALANCING ============== 2685.99 LDB: ============== END OF LOAD BALANCING =============== 2685.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2685.99 LDB: ============= START OF LOAD BALANCING ============== 2686.29 LDB: Largest compute 4773 load 0.027264 is 23.1% of average load 0.118120 LDB: Average compute 0.001724 is 1.5% of average load 0.118120 LDB: TIME 2686.3 LOAD: AVG 0.11812 MAX 0.209531 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 2686.3 LOAD: AVG 0.11812 MAX 0.209531 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: TIME 2686.3 LOAD: AVG 0.11812 MAX 0.209531 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2686.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2686.3 PRESSURE: 900400 21.5331 109.015 -33.8711 109.015 -114.511 -33.8385 -33.8718 -33.8409 -162.211 GPRESSURE: 900400 35.6308 91.3872 59.4508 166.825 -105.705 -105.707 -103.747 1.8831 -75.8668 PRESSAVG: 900400 7.29716 39.6923 34.8726 39.6922 -9.34711 -9.94092 34.8726 -9.94085 23.5466 GPRESSAVG: 900400 6.17721 38.316 34.1417 42.7555 -9.0155 -9.30363 35.1577 -11.4828 23.9946 TIMING: 900400 CPU: 2683.05, 0.00306892/step Wall: 2683.05, 0.00306892/step, 3.49481 hours remaining, 207.015625 MB of memory in use. ENERGY: 900400 748.5105 1989.7446 1921.6172 103.3123 -205733.6433 17752.4922 0.0000 0.0000 34414.5288 -148803.4376 300.5506 -183217.9664 -148701.8905 300.2811 -85.0628 -48.6471 559098.8547 7.1656 7.0521 PRESSURE: 900600 -128.34 -67.9028 -67.7453 -67.9035 203.795 106.06 -67.7454 106.061 156.676 GPRESSURE: 900600 -98.667 -60.3855 13.4459 -43.1567 230.259 45.7961 -122.007 136.528 187.465 PRESSAVG: 900600 -25.7886 9.73444 35.3802 9.73443 3.01425 -27.5549 35.3802 -27.555 45.882 GPRESSAVG: 900600 -25.0822 13.2701 36.9911 6.28154 1.47444 -25.462 33.066 -27.6233 46.6742 TIMING: 900600 CPU: 2683.65, 0.00297304/step Wall: 2683.65, 0.00297304/step, 3.38546 hours remaining, 207.218750 MB of memory in use. ENERGY: 900600 743.2368 2050.5461 1973.9024 105.8911 -205748.9956 17885.6426 0.0000 0.0000 34123.5484 -148866.2282 298.0094 -182989.7766 -148775.1219 299.9226 77.3771 106.3523 557340.0477 7.7025 7.6888 PRESSURE: 900800 27.7202 -117.166 41.9217 -117.166 37.9354 179.074 41.9219 179.072 -89.1371 GPRESSURE: 900800 -7.80819 -88.6015 -25.3433 -66.9271 127.027 153.056 68.0776 220.489 -47.6242 PRESSAVG: 900800 13.2762 -35.2758 11.3792 -35.2758 34.925 8.41951 11.3793 8.41958 -19.8519 GPRESSAVG: 900800 12.7059 -37.7531 11.2656 -32.4495 35.3998 6.95954 13.2191 7.36393 -20.2569 TIMING: 900800 CPU: 2684.24, 0.00298237/step Wall: 2684.24, 0.00298237/step, 3.39593 hours remaining, 207.218750 MB of memory in use. ENERGY: 900800 719.2181 2070.1643 1921.9591 116.0841 -205949.5944 17706.6001 0.0000 0.0000 34296.7496 -149118.8190 299.5220 -183415.5686 -149014.3635 299.1037 -7.8272 23.8649 556192.9205 9.4498 9.2829 PRESSURE: 901000 -89.535 -84.8781 -79.2031 -84.8774 -16.4808 0.0216033 -79.2045 0.0218446 -333.472 GPRESSURE: 901000 -86.6683 -159.616 -27.8261 -49.2376 18.5114 -136.661 -115.199 109.144 -274.662 PRESSAVG: 901000 -12.6364 -21.3498 34.3119 -21.3498 27.8996 -34.0562 34.3118 -34.0562 -6.21778 GPRESSAVG: 901000 -13.1191 -21.5239 34.3269 -23.6855 27.4834 -34.3162 33.8126 -32.6508 -5.85261 TIMING: 901000 CPU: 2684.84, 0.00298027/step Wall: 2684.84, 0.00298027/step, 3.39336 hours remaining, 207.218750 MB of memory in use. ENERGY: 901000 729.2518 2078.3465 1950.5076 108.9042 -205506.0063 17460.0207 0.0000 0.0000 34111.6476 -149067.3280 297.9055 -183178.9756 -148971.6811 298.8878 -146.4961 -114.2728 557621.9729 3.0151 2.8372 PRESSURE: 901200 -195.742 -79.8751 187.692 -79.8764 -46.481 69.011 187.694 69.0111 -90.0129 GPRESSURE: 901200 -213.106 -18.849 144.475 -64.7779 -2.73983 90.3778 110.571 48.7699 -23.6535 PRESSAVG: 901200 1.53186 -5.74051 31.1492 -5.74048 59.5935 -41.1164 31.1492 -41.1165 -43.7455 GPRESSAVG: 901200 0.414598 -6.69342 31.6355 -5.44396 61.3791 -40.8323 30.6487 -40.5683 -44.4232 TIMING: 901200 CPU: 2685.44, 0.0029821/step Wall: 2685.44, 0.0029821/step, 3.39529 hours remaining, 207.218750 MB of memory in use. ENERGY: 901200 738.6811 2155.0404 1948.7911 108.6455 -206120.8000 17649.7811 0.0000 0.0000 34350.5744 -149169.2863 299.9921 -183519.8607 -149086.5591 299.7515 -110.7454 -79.8330 557092.9324 5.7933 5.7902 PRESSURE: 901400 -222.363 16.7093 -69.3023 16.7098 -70.8969 21.8526 -69.3029 21.8513 -63.0846 GPRESSURE: 901400 -232.331 -51.1693 -126.234 29.2368 -13.9132 126.484 4.82737 -0.140659 -11.3917 PRESSAVG: 901400 -0.187237 46.1367 -99.7234 46.1366 -9.49659 26.6823 -99.7232 26.6823 -15.2104 GPRESSAVG: 901400 -0.943738 47.8581 -99.5904 44.5239 -9.76336 29.6903 -97.4617 26.4726 -14.2404 TIMING: 901400 CPU: 2686.03, 0.00297908/step Wall: 2686.03, 0.00297908/step, 3.39168 hours remaining, 207.218750 MB of memory in use. ENERGY: 901400 740.5592 2052.6269 1926.4924 100.6305 -205821.0611 17679.1949 0.0000 0.0000 34200.8998 -149120.6574 298.6850 -183321.5572 -149025.5283 299.3927 -118.7814 -85.8787 558338.8422 -8.2981 -8.3158 PRESSURE: 901600 -318.604 12.7872 48.8669 12.788 -67.287 -114.433 48.8667 -114.433 -87.6298 GPRESSURE: 901600 -295.149 2.03824 58.6385 19.3341 -24.167 -159.276 100.273 -22.0157 -58.1091 PRESSAVG: 901600 -19.1896 -63.3161 -45.2098 -63.3163 -40.0956 10.7381 -45.2098 10.7381 33.986 GPRESSAVG: 901600 -18.3679 -64.5777 -45.8363 -61.2995 -40.1609 8.95083 -47.6299 11.2451 33.6022 TIMING: 901600 CPU: 2686.63, 0.00300138/step Wall: 2686.63, 0.00300138/step, 3.41691 hours remaining, 207.218750 MB of memory in use. ENERGY: 901600 752.2287 2122.0764 1942.0412 114.0050 -205672.6252 17455.4101 0.0000 0.0000 34166.5461 -149120.3177 298.3849 -183286.8637 -149021.6393 299.0640 -157.8403 -125.8083 558070.9061 -8.4331 -8.3089 PRESSURE: 901800 203.837 -136.996 6.43218 -136.996 12.2168 8.98484 6.4315 8.98462 120.322 GPRESSURE: 901800 168.531 -184.952 5.51176 -1.9003 64.7556 37.8001 19.3832 5.054 193.528 PRESSAVG: 901800 10.3879 -15.8529 44.7574 -15.8529 15.7986 -10.3338 44.7574 -10.3339 21.6184 GPRESSAVG: 901800 10.2298 -17.7067 42.868 -16.0042 14.4182 -11.2445 46.722 -13.2367 22.8137 TIMING: 901800 CPU: 2687.23, 0.0029719/step Wall: 2687.23, 0.0029719/step, 3.38318 hours remaining, 207.218750 MB of memory in use. ENERGY: 901800 735.0134 2073.1525 1960.0751 111.7792 -206406.5856 17963.3834 0.0000 0.0000 34450.3584 -149112.8236 300.8635 -183563.1820 -149017.4742 299.4097 112.1255 142.2714 558444.0567 15.9350 15.8206 PRESSURE: 902000 141.792 -86.254 -53.7237 -86.255 -219.616 2.1989 -53.7242 2.1993 -60.4425 GPRESSURE: 902000 148.351 -39.1195 -127.601 -109.725 -121.618 1.07647 -52.7038 55.0942 -60.6514 PRESSAVG: 902000 -45.4592 -3.57453 -30.0447 -3.57446 7.75141 -22.6546 -30.0447 -22.6546 67.8313 GPRESSAVG: 902000 -44.7533 0.00499516 -28.3409 -4.64179 7.97463 -20.6547 -29.6604 -22.4795 67.1798 TIMING: 902000 CPU: 2687.82, 0.00298651/step Wall: 2687.82, 0.00298651/step, 3.39964 hours remaining, 207.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 902000 744.9330 2047.2506 1962.3997 124.7730 -205909.7073 17729.0205 0.0000 0.0000 34109.7015 -149191.6291 297.8885 -183301.3305 -149090.0584 299.3038 -46.0886 -11.3061 560172.5019 10.0412 10.1337 PRESSURE: 902200 -139.42 -55.8483 -48.0555 -55.8493 -250.464 13.3723 -48.0565 13.3734 -273.288 GPRESSURE: 902200 -144.546 -104.276 5.57917 -157.546 -210.665 8.29425 -5.57351 29.2194 -219.965 PRESSAVG: 902200 23.5766 -7.57034 15.2373 -7.57043 -50.008 22.6275 15.2373 22.6276 42.0929 GPRESSAVG: 902200 23.0829 -7.95384 13.652 -8.68674 -49.04 20.3473 14.311 24.8332 41.596 TIMING: 902200 CPU: 2688.42, 0.00296876/step Wall: 2688.42, 0.00296876/step, 3.37927 hours remaining, 207.218750 MB of memory in use. ENERGY: 902200 743.3451 2077.8936 1933.5088 115.6512 -205839.7470 17334.2488 0.0000 0.0000 34395.7080 -149239.3915 300.3863 -183635.0995 -149136.0870 299.0880 -221.0574 -191.7255 558749.4348 5.2205 5.2130 PRESSURE: 902400 329.048 100.358 160.803 100.359 -71.8504 -79.345 160.803 -79.3447 -88.5947 GPRESSURE: 902400 356.192 185.409 212.062 70.5254 -14.7811 -155.263 181.126 -120.324 -75.3431 PRESSAVG: 902400 46.5556 -35.5198 26.1653 -35.5198 -23.478 -23.076 26.1653 -23.0761 -13.8016 GPRESSAVG: 902400 45.9435 -35.186 27.3578 -34.3533 -23.819 -22.3832 26.004 -23.8112 -13.3225 TIMING: 902400 CPU: 2689.02, 0.00299246/step Wall: 2689.02, 0.00299246/step, 3.40608 hours remaining, 207.218750 MB of memory in use. ENERGY: 902400 737.3411 2044.1265 1935.9976 107.2496 -206338.9537 17850.9720 0.0000 0.0000 34376.7306 -149286.5364 300.2205 -183663.2670 -149182.9939 299.4443 56.2011 88.6894 557498.8268 3.0920 2.9340 PRESSURE: 902600 185.009 -86.3101 176.839 -86.3087 52.2833 -120.272 176.84 -120.272 122.915 GPRESSURE: 902600 215.735 -35.0754 185.04 -80.1248 90.0418 -49.4976 159.034 -218.713 155.93 PRESSAVG: 902600 11.0836 -13.0435 -1.48526 -13.0435 9.15682 -46.4716 -1.48522 -46.4715 -24.4151 GPRESSAVG: 902600 11.7882 -13.8953 -1.42304 -12.9439 9.02354 -46.2693 -0.731181 -48.1386 -24.9537 TIMING: 902600 CPU: 2689.61, 0.0029665/step Wall: 2689.61, 0.0029665/step, 3.37637 hours remaining, 207.218750 MB of memory in use. ENERGY: 902600 720.9619 2072.6199 1935.2379 106.7190 -206286.6163 17920.9318 0.0000 0.0000 34209.9521 -149320.1938 298.7640 -183530.1459 -149224.5550 299.3109 120.0690 153.9022 557990.0223 -1.3916 -1.3807 PRESSURE: 902800 -211.831 28.028 -88.7107 28.0288 -85.2229 -137.651 -88.7107 -137.651 -142.911 GPRESSURE: 902800 -201.253 4.69027 -106.214 38.0256 -30.5711 -56.0197 -72.8961 -233.406 -121.298 PRESSAVG: 902800 28.0901 0.664698 13.8322 0.664725 -19.9055 1.75565 13.8321 1.75566 -52.3611 GPRESSAVG: 902800 27.1171 0.891881 14.1912 0.945304 -19.2372 2.83687 15.8366 2.6845 -51.5215 TIMING: 902800 CPU: 2690.21, 0.00299976/step Wall: 2690.21, 0.00299976/step, 3.41406 hours remaining, 207.218750 MB of memory in use. ENERGY: 902800 748.5007 2039.1790 1939.3162 119.2862 -205916.5753 17598.3044 0.0000 0.0000 34235.4162 -149236.5726 298.9864 -183471.9889 -149134.3391 299.4348 -146.6548 -117.7074 558354.4327 -14.7255 -14.5472 PRESSURE: 903000 -125.582 26.4388 156.732 26.4384 -209.429 26.0981 156.733 26.0975 -312.99 GPRESSURE: 903000 -55.6005 -91.288 141.485 30.3736 -228.206 -55.8211 170.082 113.824 -262.067 PRESSAVG: 903000 33.7913 -20.7632 42.58 -20.763 18.8848 -31.2061 42.58 -31.2059 -27.8427 GPRESSAVG: 903000 34.6139 -21.8009 41.9537 -20.0455 18.4235 -33.8939 39.4322 -31.5695 -28.3048 TIMING: 903000 CPU: 2690.81, 0.00297637/step Wall: 2690.81, 0.00297637/step, 3.38727 hours remaining, 207.218750 MB of memory in use. ENERGY: 903000 744.8706 2056.0766 1947.6818 110.7567 -205917.9290 17628.6037 0.0000 0.0000 34143.6647 -149286.2749 298.1851 -183429.9396 -149187.9667 299.4435 -216.0004 -181.9579 559373.0118 8.2778 8.2442 PRESSURE: 903200 -149.443 5.40568 -3.63052 5.4053 -259.308 145.715 -3.63129 145.715 7.84252 GPRESSURE: 903200 -89.4512 46.5923 7.9309 8.04916 -209.797 130.115 63.855 124.035 -10.663 PRESSAVG: 903200 4.97011 -46.1785 26.1465 -46.1785 -14.2375 35.6462 26.1464 35.6461 -12.5355 GPRESSAVG: 903200 4.68466 -44.9852 27.31 -47.4693 -13.7821 35.8218 26.977 35.7987 -12.866 TIMING: 903200 CPU: 2691.4, 0.00296981/step Wall: 2691.4, 0.00296981/step, 3.37964 hours remaining, 207.218750 MB of memory in use. ENERGY: 903200 776.6748 2096.5350 1936.9416 118.0362 -206064.6065 17741.3526 0.0000 0.0000 34146.3360 -149248.7304 298.2084 -183395.0664 -149158.9276 298.7260 -133.6361 -103.3038 557907.7195 -7.2676 -7.3211 PRESSURE: 903400 133.95 12.5546 -97.0129 12.5551 33.0257 51.0574 -97.0133 51.0576 61.8374 GPRESSURE: 903400 160.976 69.3659 -32.8226 61.8706 113.727 81.8555 -169.876 -12.0296 49.2397 PRESSAVG: 903400 -3.9181 -32.6879 29.8735 -32.6878 47.37 -20.8563 29.8735 -20.8563 -34.4815 GPRESSAVG: 903400 -3.99987 -34.1095 28.7515 -31.0173 48.0515 -19.0931 32.1588 -21.2694 -35.1575 TIMING: 903400 CPU: 2691.99, 0.00296409/step Wall: 2691.99, 0.00296409/step, 3.37297 hours remaining, 207.218750 MB of memory in use. ENERGY: 903400 752.5726 2107.4351 1941.0734 110.3240 -206595.4244 18070.2800 0.0000 0.0000 34264.4851 -149349.2542 299.2403 -183613.7393 -149253.8050 299.1898 76.2710 107.9812 558926.3474 2.9901 2.9647 PRESSURE: 903600 18.4243 65.7261 48.6257 65.726 -252.474 -33.4802 48.6264 -33.481 -17.9546 GPRESSURE: 903600 71.421 68.8795 55.5446 69.2917 -234.304 -65.2253 70.7327 78.4755 5.21141 PRESSAVG: 903600 34.6595 -27.3536 -71.2452 -27.3536 -14.1448 -27.1121 -71.2452 -27.1122 -26.297 GPRESSAVG: 903600 35.6681 -26.032 -70.3483 -28.2143 -15.5483 -30.2295 -72.7285 -24.9959 -26.2799 TIMING: 903600 CPU: 2692.58, 0.00293096/step Wall: 2692.58, 0.00293096/step, 3.33511 hours remaining, 207.218750 MB of memory in use. ENERGY: 903600 737.7300 2110.8156 1910.2037 102.7383 -206183.2550 17749.9374 0.0000 0.0000 34149.4347 -149422.3953 298.2355 -183571.8300 -149327.6415 298.5025 -84.0014 -52.5572 559042.5053 -1.9274 -2.0534 PRESSURE: 903800 216.988 16.224 -10.7969 16.2229 -71.161 -44.289 -10.7971 -44.2875 148.008 GPRESSURE: 903800 231.736 -43.9087 -34.5679 68.1677 0.0327022 9.83922 29.2557 -27.8629 148.057 PRESSAVG: 903800 13.6297 -2.33052 9.81231 -2.33051 -3.7238 -1.79783 9.81236 -1.79788 -12.6844 GPRESSAVG: 903800 12.4645 -3.16644 9.87814 -1.73027 -3.54211 0.386338 9.857 -3.4524 -11.5915 TIMING: 903800 CPU: 2693.17, 0.00295806/step Wall: 2693.17, 0.00295806/step, 3.36578 hours remaining, 207.218750 MB of memory in use. ENERGY: 903800 766.4539 2136.1493 1899.2794 110.2710 -206698.2700 18172.8979 0.0000 0.0000 34103.2183 -149510.0003 297.8319 -183613.2186 -149421.5583 298.5358 97.9449 126.6084 557749.0407 -0.9262 -0.8897 PRESSURE: 904000 -86.4683 12.3661 47.4985 12.3667 -119.147 -59.603 47.4971 -59.6039 -154.693 GPRESSURE: 904000 -95.4958 66.2903 66.1509 -42.4282 -69.4773 -53.935 53.5773 -27.8236 -101.363 PRESSAVG: 904000 9.11249 4.45021 10.8493 4.45009 -42.1903 -40.7034 10.8494 -40.7034 28.2311 GPRESSAVG: 904000 9.45446 6.43984 10.4109 4.99767 -42.353 -37.7832 11.516 -41.7887 28.3007 TIMING: 904000 CPU: 2693.77, 0.00298022/step Wall: 2693.77, 0.00298022/step, 3.39083 hours remaining, 207.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 904000 806.5918 2061.4312 1898.6015 105.8456 -206275.1521 17792.8437 0.0000 0.0000 34080.4443 -149529.3940 297.6330 -183609.8383 -149432.1866 298.7225 -120.1028 -88.7786 557712.0886 -1.6156 -1.5326 PRESSURE: 904200 -23.6593 -27.9383 -20.7087 -27.9374 -5.76891 15.5357 -20.71 15.5365 82.9517 GPRESSURE: 904200 21.0145 12.9888 -62.8715 -44.8635 42.9522 36.6483 -6.54932 -4.38496 84.916 PRESSAVG: 904200 -26.6311 33.8679 -13.91 33.8679 6.47702 0.797849 -13.91 0.79784 38.9144 GPRESSAVG: 904200 -27.1797 33.9229 -14.7767 32.4371 7.34107 -2.00632 -16.6103 2.11636 38.5433 TIMING: 904200 CPU: 2694.37, 0.00300508/step Wall: 2694.37, 0.00300508/step, 3.41894 hours remaining, 207.218750 MB of memory in use. ENERGY: 904200 738.5274 2071.6847 1942.2799 105.3765 -206458.4466 17915.5221 0.0000 0.0000 34271.0580 -149413.9979 299.2977 -183685.0559 -149319.0247 298.0685 17.8411 49.6276 556520.0859 6.2534 6.2349 LDB: ============= START OF LOAD BALANCING ============== 2697.92 LDB: ============== END OF LOAD BALANCING =============== 2697.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2697.92 LDB: ============= START OF LOAD BALANCING ============== 2698.22 LDB: Largest compute 4773 load 0.027059 is 22.9% of average load 0.118226 LDB: Average compute 0.001732 is 1.5% of average load 0.118226 LDB: TIME 2698.22 LOAD: AVG 0.118226 MAX 0.204054 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.438 MB LDB: TIME 2698.22 LOAD: AVG 0.118226 MAX 0.204054 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.438 MB LDB: TIME 2698.22 LOAD: AVG 0.118226 MAX 0.204054 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.438 MB LDB: ============== END OF LOAD BALANCING =============== 2698.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2698.23 PRESSURE: 904400 128.366 -184.008 -9.99157 -184.009 -84.3279 -7.5475 -9.99169 -7.54679 -120.803 GPRESSURE: 904400 128.169 -230.924 71.8837 -154.404 -6.69145 -12.7634 -87.3447 -38.7453 -104.946 PRESSAVG: 904400 74.4621 -37.4352 -46.6465 -37.4353 12.2365 -5.75414 -46.6465 -5.75414 -41.8906 GPRESSAVG: 904400 75.2141 -36.7659 -46.6015 -37.6321 12.334 -6.20796 -45.8547 -7.4308 -42.0927 TIMING: 904400 CPU: 2694.98, 0.00305842/step Wall: 2694.98, 0.00305842/step, 3.47947 hours remaining, 206.703125 MB of memory in use. ENERGY: 904400 745.8418 2101.3788 1980.3608 108.1903 -206156.9373 17800.6835 0.0000 0.0000 34105.9087 -149314.5733 297.8554 -183420.4820 -149215.2584 297.5587 -25.5882 5.5106 557807.4818 14.9360 15.1518 PRESSURE: 904600 -1.85709 -21.4811 53.9996 -21.481 103.33 6.22197 53.9987 6.22321 -176.643 GPRESSURE: 904600 5.15628 -74.6296 114.167 7.70043 69.2668 16.0725 70.0393 -28.9814 -63.0721 PRESSAVG: 904600 71.3291 -50.6225 -41.0821 -50.6225 20.5961 5.34317 -41.0822 5.34326 2.97997 GPRESSAVG: 904600 71.8288 -52.9992 -40.7028 -47.6585 20.4966 2.76552 -41.8625 8.42613 2.41642 TIMING: 904600 CPU: 2695.57, 0.0029822/step Wall: 2695.57, 0.0029822/step, 3.39258 hours remaining, 206.703125 MB of memory in use. ENERGY: 904600 736.2769 2008.1475 1953.6718 119.7768 -206048.7928 17671.7763 0.0000 0.0000 34113.9582 -149445.1854 297.9257 -183559.1435 -149349.4090 298.3295 -25.0570 3.7836 556910.4728 31.6350 31.5806 PRESSURE: 904800 -43.9764 -99.8 49.6226 -99.799 93.8236 -89.2471 49.6218 -89.245 43.0932 GPRESSURE: 904800 5.33406 -90.442 28.7935 -66.5828 125.473 -118.128 8.04764 0.0641542 61.9064 PRESSAVG: 904800 55.3151 21.9625 -58.1597 21.9627 16.1898 -3.0744 -58.1597 -3.0744 -88.0147 GPRESSAVG: 904800 54.4409 21.7933 -56.5965 20.441 15.8588 0.205137 -57.12 -4.43735 -86.3384 TIMING: 904800 CPU: 2696.17, 0.0029721/step Wall: 2696.17, 0.0029721/step, 3.38093 hours remaining, 206.703125 MB of memory in use. ENERGY: 904800 734.0111 2096.2729 1945.7696 110.3304 -206320.3646 17903.3410 0.0000 0.0000 34012.7615 -149517.8781 297.0419 -183530.6396 -149422.4986 298.0121 30.9801 64.2379 557504.2646 -5.5033 -5.3462 PRESSURE: 905000 -168.884 104.002 -127.692 104.002 62.4356 56.1042 -127.691 56.103 335.091 GPRESSURE: 905000 -131.775 177.057 -161.117 112.61 67.447 -6.87482 -169.831 6.91589 379.807 PRESSAVG: 905000 -11.817 82.1406 -58.735 82.1406 10.9963 25.762 -58.7348 25.7621 19.0235 GPRESSAVG: 905000 -11.1799 81.9186 -59.9367 82.1469 11.6484 23.9938 -59.8656 26.4017 17.7283 TIMING: 905000 CPU: 2696.77, 0.00299183/step Wall: 2696.77, 0.00299183/step, 3.4032 hours remaining, 206.703125 MB of memory in use. ENERGY: 905000 725.3682 2097.6888 1948.6756 122.6325 -206595.0673 17881.2480 0.0000 0.0000 34372.3868 -149447.0674 300.1826 -183819.4542 -149351.4006 298.4458 76.2142 105.1594 556465.0266 6.0676 6.0656 PRESSURE: 905200 293.568 76.5631 -127.842 76.5634 138.024 30.123 -127.841 30.1216 -81.1283 GPRESSURE: 905200 297.033 147.608 -50.594 1.50937 133.194 48.1644 -143.025 24.6169 17.94 PRESSAVG: 905200 4.64631 37.4876 -70.9716 37.4875 -12.6267 1.49233 -70.9716 1.49236 -1.47384 GPRESSAVG: 905200 4.7012 37.354 -71.4191 39.0272 -13.9741 3.11901 -69.4862 0.273203 -1.00888 TIMING: 905200 CPU: 2697.36, 0.00297999/step Wall: 2697.36, 0.00297999/step, 3.38957 hours remaining, 206.703125 MB of memory in use. ENERGY: 905200 749.0826 2099.9535 1934.7325 112.0919 -206841.9962 18186.8701 0.0000 0.0000 34093.7490 -149665.5167 297.7492 -183759.2656 -149571.1837 298.2941 116.8212 149.3890 557077.6940 -3.1514 -3.4273 PRESSURE: 905400 -105.539 10.8737 85.6536 10.8748 -205.846 -169.555 85.653 -169.555 143.081 GPRESSURE: 905400 -62.0198 -76.1272 36.3678 70.6841 -165.424 -205.08 128.892 -209.345 155.281 PRESSAVG: 905400 -14.692 -11.6446 -11.0195 -11.6446 -23.9717 -37.0746 -11.0195 -37.0746 83.1015 GPRESSAVG: 905400 -15.1248 -10.7085 -11.2244 -13.7972 -23.1259 -39.9289 -10.6121 -36.3308 82.8069 TIMING: 905400 CPU: 2697.96, 0.0029896/step Wall: 2697.96, 0.0029896/step, 3.40034 hours remaining, 206.703125 MB of memory in use. ENERGY: 905400 760.7068 2069.1104 1934.2371 107.9357 -206826.2249 17994.3652 0.0000 0.0000 34276.1718 -149683.6980 299.3423 -183959.8697 -149586.4340 297.7150 -56.1015 -24.0544 555444.4641 14.8126 14.8521 PRESSURE: 905600 -11.7737 2.9554 -146.708 2.95555 -1.30727 57.2787 -146.707 57.2783 -190.733 GPRESSURE: 905600 -20.1722 7.93122 -83.1473 134.889 121.253 95.5071 -206.985 41.8292 -210.105 PRESSAVG: 905600 -48.7313 22.5109 -66.6377 22.5109 -13.5956 -3.33703 -66.6376 -3.33694 17.0941 GPRESSAVG: 905600 -49.8464 23.4813 -65.5995 22.073 -13.856 -0.82279 -66.9536 -2.30436 17.7563 TIMING: 905600 CPU: 2698.56, 0.00300135/step Wall: 2698.56, 0.00300135/step, 3.41354 hours remaining, 206.703125 MB of memory in use. ENERGY: 905600 695.6406 2112.7166 1970.0229 107.7052 -206433.4789 17759.2347 0.0000 0.0000 34166.5922 -149621.5668 298.3853 -183788.1590 -149526.8893 297.7523 -67.9381 -36.3413 555560.2866 -15.0776 -15.3154 PRESSURE: 905800 207.904 -122.287 114.304 -122.288 232.857 27.5314 114.303 27.5306 269.302 GPRESSURE: 905800 264.722 -3.79304 80.1008 -84.4578 200.099 115.208 66.4923 13.7478 340.685 PRESSAVG: 905800 22.2173 1.44752 -77.3466 1.44746 21.7408 -14.8912 -77.3465 -14.8914 -12.5777 GPRESSAVG: 905800 22.7989 0.726697 -77.4413 2.80493 20.8731 -13.0393 -78.049 -17.0596 -12.7386 TIMING: 905800 CPU: 2699.16, 0.00299813/step Wall: 2699.16, 0.00299813/step, 3.40971 hours remaining, 206.703125 MB of memory in use. ENERGY: 905800 735.8702 2089.6354 1964.1286 113.3780 -206534.8387 18087.6584 0.0000 0.0000 34107.4887 -149436.6795 297.8692 -183544.1682 -149342.4628 298.0985 236.6876 268.5020 555044.0610 10.4601 10.3111 PRESSURE: 906000 -126.185 137.806 48.5235 137.806 -134.987 -34.9659 48.524 -34.9661 -72.5221 GPRESSURE: 906000 -63.3026 119.373 16.5707 131.579 -97.3249 -49.4191 64.4667 18.1415 -68.3927 PRESSAVG: 906000 64.7771 -38.3559 -46.428 -38.3559 -57.3352 6.03703 -46.4279 6.03711 -26.9591 GPRESSAVG: 906000 64.1717 -38.6266 -47.4709 -38.7 -56.5357 2.61259 -47.1875 8.49766 -26.9887 TIMING: 906000 CPU: 2699.76, 0.00299821/step Wall: 2699.76, 0.00299821/step, 3.40963 hours remaining, 206.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 906000 724.4666 2019.9588 1926.9767 103.6134 -206159.9591 17633.8001 0.0000 0.0000 34205.0384 -149546.1051 298.7211 -183751.1435 -149444.4816 298.2922 -111.2311 -76.3400 557988.8570 -6.5057 -6.4509 PRESSURE: 906200 -64.9173 -145.309 -151.424 -145.309 176.067 54.5864 -151.423 54.5845 -51.4724 GPRESSURE: 906200 13.838 -142.344 -129.228 -178.907 119.09 89.5039 -114.337 58.8315 23.3716 PRESSAVG: 906200 24.2742 -32.7546 5.7582 -32.7546 -3.51388 -25.6324 5.75819 -25.6323 -45.8452 GPRESSAVG: 906200 25.1127 -32.6345 7.71388 -33.6969 -4.26211 -25.391 7.00682 -25.8998 -46.2293 TIMING: 906200 CPU: 2700.35, 0.00294689/step Wall: 2700.35, 0.00294689/step, 3.3511 hours remaining, 206.703125 MB of memory in use. ENERGY: 906200 730.4403 2044.2393 1931.0011 119.8180 -206058.0954 17660.5123 0.0000 0.0000 34120.7419 -149451.3426 297.9849 -183572.0844 -149354.9213 298.3123 19.8923 52.0997 557353.5183 -8.3616 -8.4595 PRESSURE: 906400 -0.875308 -105.444 -40.3185 -105.444 -215.913 -78.2699 -40.3194 -78.2697 -111.062 GPRESSURE: 906400 -28.8273 10.1765 -31.649 -170.894 -142.331 -55.5812 -47.549 -91.7191 -59.1537 PRESSAVG: 906400 -3.13644 -45.6602 12.6455 -45.6603 14.635 16.7068 12.6454 16.7068 47.5576 GPRESSAVG: 906400 -4.38691 -46.7405 11.5744 -43.6364 16.7063 17.6807 12.3634 16.6378 46.6174 TIMING: 906400 CPU: 2700.94, 0.0029498/step Wall: 2700.94, 0.0029498/step, 3.35425 hours remaining, 206.703125 MB of memory in use. ENERGY: 906400 703.4052 2088.9800 1928.8636 112.7724 -206130.8302 17570.8002 0.0000 0.0000 34390.4395 -149335.5693 300.3403 -183726.0088 -149234.3580 299.0604 -109.2834 -76.7706 556595.8206 19.6854 19.6456 PRESSURE: 906600 -48.9736 -188.181 46.0591 -188.182 392.519 -41.6265 46.0589 -41.6278 187.498 GPRESSURE: 906600 44.8509 -128.293 29.4149 -238.966 408.234 -59.2109 3.91786 -25.9479 174.874 PRESSAVG: 906600 54.3002 -52.3985 48.4671 -52.3985 -45.0516 6.22814 48.4671 6.22816 2.28747 GPRESSAVG: 906600 55.3862 -54.4704 46.9707 -54.7679 -46.2949 6.92689 48.3485 4.2599 1.97904 TIMING: 906600 CPU: 2701.53, 0.00293591/step Wall: 2701.53, 0.00293591/step, 3.33829 hours remaining, 206.703125 MB of memory in use. ENERGY: 906600 711.3615 2075.6051 1934.2824 114.0572 -206807.1369 18106.1303 0.0000 0.0000 34400.6538 -149465.0466 300.4295 -183865.7004 -149370.6969 298.7349 177.0146 209.3197 555397.8316 3.8453 3.6901 PRESSURE: 906800 268.064 51.2214 177.447 51.2217 -246.152 26.8601 177.448 26.8613 -112.294 GPRESSURE: 906800 291.802 -42.7346 234.432 65.6985 -229.459 35.7413 173.131 -62.7377 -56.657 PRESSAVG: 906800 74.9131 9.56255 32.3666 9.56254 -53.1561 -43.4855 32.3665 -43.4854 -0.665886 GPRESSAVG: 906800 74.1323 13.4185 33.9915 7.98711 -52.3582 -42.177 31.8826 -44.7264 -0.229128 TIMING: 906800 CPU: 2702.12, 0.00297097/step Wall: 2702.12, 0.00297097/step, 3.378 hours remaining, 206.703125 MB of memory in use. ENERGY: 906800 743.7107 2119.7016 1944.7552 118.9462 -206604.9975 18089.1621 0.0000 0.0000 34128.2497 -149460.4721 298.0505 -183588.7218 -149366.9782 298.5713 -30.1274 1.8951 556771.9821 7.0304 7.1817 PRESSURE: 907000 -105.508 37.5128 -50.0091 37.5119 61.6707 -188.905 -50.0096 -188.907 54.6991 GPRESSURE: 907000 -49.4043 4.20092 21.3684 -38.2022 104.786 -134.283 -64.2586 -154.096 43.3741 PRESSAVG: 907000 -30.5468 -34.0108 31.4182 -34.0108 15.3003 -48.763 31.4181 -48.7631 19.0541 GPRESSAVG: 907000 -30.7072 -34.7157 32.6197 -33.2095 16.0643 -49.5382 30.0623 -47.0164 18.8203 TIMING: 907000 CPU: 2702.72, 0.00298287/step Wall: 2702.72, 0.00298287/step, 3.39135 hours remaining, 206.703125 MB of memory in use. ENERGY: 907000 781.0068 2025.9774 1934.5508 118.8870 -206574.7444 18051.3572 0.0000 0.0000 34213.6770 -149449.2881 298.7966 -183662.9651 -149356.3130 298.3499 3.6205 32.9185 557661.2675 1.2692 1.3925 PRESSURE: 907200 -182.676 -80.7264 -121.309 -80.7258 -180.792 -157.376 -121.309 -157.377 -144.095 GPRESSURE: 907200 -121.327 -29.2384 -151.267 -69.8963 -204.145 -157.931 -155.042 -208.906 -90.7302 PRESSAVG: 907200 -60.921 -20.9493 -2.14788 -20.9492 29.5917 -28.7726 -2.14784 -28.7726 55.1528 GPRESSAVG: 907200 -59.9947 -20.8253 -5.4616 -19.2674 29.3287 -31.0369 0.0232657 -28.1515 55.411 TIMING: 907200 CPU: 2703.31, 0.00297196/step Wall: 2703.31, 0.00297196/step, 3.37879 hours remaining, 206.703125 MB of memory in use. ENERGY: 907200 796.2757 2048.2721 1934.2789 113.4766 -206124.7652 17717.0983 0.0000 0.0000 34100.3532 -149415.0104 297.8069 -183515.3636 -149317.0742 298.3866 -169.1875 -138.7340 558335.9321 7.9411 8.2483 PRESSURE: 907400 -178.133 106.754 77.0627 106.753 -204.436 204.332 77.0626 204.331 -319.013 GPRESSURE: 907400 -197.323 172.622 14.3565 24.2287 -162.381 154.743 56.4219 239.42 -254.924 PRESSAVG: 907400 -29.2648 -55.9847 18.8163 -55.9847 -64.4406 -7.92364 18.8163 -7.9236 45.2105 GPRESSAVG: 907400 -29.8119 -56.2791 18.2916 -55.9784 -64.806 -7.74761 18.8029 -8.75496 46.5191 TIMING: 907400 CPU: 2703.9, 0.00295947/step Wall: 2703.9, 0.00295947/step, 3.36442 hours remaining, 206.703125 MB of memory in use. ENERGY: 907400 797.9489 2044.6920 1950.5277 122.6937 -206173.0743 17551.9116 0.0000 0.0000 34185.3358 -149519.9645 298.5490 -183705.3003 -149417.6746 298.5317 -233.8606 -204.8763 556923.0333 -16.1650 -16.0329 PRESSURE: 907600 137.089 -143.332 132.931 -143.331 42.5331 -136.921 132.931 -136.92 -206.519 GPRESSURE: 907600 171.411 -157.376 182.592 -158.942 72.1257 -109.216 140.648 -91.2352 -182.509 PRESSAVG: 907600 56.9415 -9.76804 19.1736 -9.76799 2.98964 -25.6283 19.1735 -25.6284 -6.35273 GPRESSAVG: 907600 56.9004 -9.03248 19.8948 -11.1817 4.83132 -26.5848 17.5463 -23.2808 -7.97788 TIMING: 907600 CPU: 2704.5, 0.00297522/step Wall: 2704.5, 0.00297522/step, 3.38216 hours remaining, 206.703125 MB of memory in use. ENERGY: 907600 744.9829 2103.1607 1936.5538 105.5162 -206383.5656 17794.7277 0.0000 0.0000 34244.6578 -149453.9665 299.0671 -183698.6243 -149353.7766 298.2551 -8.9658 20.3428 557639.8659 17.8595 17.9179 PRESSURE: 907800 -225.936 56.2407 11.1127 56.2404 -100.631 14.2111 11.1133 14.2113 -114.971 GPRESSURE: 907800 -197.243 119.796 4.59135 1.93479 -24.8155 88.7804 -17.4275 -61.3041 -128.857 PRESSAVG: 907800 19.7843 -6.3834 13.7799 -6.38344 -71.4773 8.19903 13.7799 8.19904 36.2611 GPRESSAVG: 907800 20.3281 -7.83237 13.7343 -6.82077 -73.0008 9.77945 15.0713 5.28579 37.3361 TIMING: 907800 CPU: 2705.09, 0.00296577/step Wall: 2705.09, 0.00296577/step, 3.37125 hours remaining, 206.703125 MB of memory in use. ENERGY: 907800 767.6501 2083.9559 1937.4258 107.8420 -206359.5783 17681.3596 0.0000 0.0000 34475.7579 -149305.5871 301.0854 -183781.3450 -149204.1330 298.0962 -147.1795 -116.9716 556710.7260 -5.1440 -5.1122 PRESSURE: 908000 10.7362 25.0661 -155.971 25.067 -83.447 46.5353 -155.97 46.534 -36.8965 GPRESSURE: 908000 35.012 30.0757 -254.048 47.8958 -79.8316 43.3456 -162.861 -5.9245 44.5412 PRESSAVG: 908000 -44.3233 27.5219 -74.1621 27.5217 -1.31558 -10.5657 -74.1621 -10.5659 -16.4203 GPRESSAVG: 908000 -44.64 28.2301 -73.8713 29.9358 -0.76928 -12.8666 -76.1938 -6.54999 -16.8037 TIMING: 908000 CPU: 2705.68, 0.00294707/step Wall: 2705.68, 0.00294707/step, 3.34984 hours remaining, 206.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 908000 760.9768 2080.0658 1944.1365 113.7168 -206056.3840 17760.7088 0.0000 0.0000 34239.6007 -149157.1786 299.0229 -183396.7793 -149066.4992 299.9466 -36.5358 -0.0928 556963.6960 -20.6864 -20.7377 PRESSURE: 908200 30.6023 118.004 65.0046 118.004 -28.199 -111.7 65.0047 -111.7 -88.4658 GPRESSURE: 908200 58.4141 61.0319 78.5935 165.992 -11.0797 -83.9793 69.2229 7.42733 -36.4945 PRESSAVG: 908200 -5.82718 27.2037 -50.1381 27.2038 61.7077 16.5929 -50.138 16.5929 -29.704 GPRESSAVG: 908200 -6.21082 24.8637 -50.8283 27.7099 62.2479 20.2256 -48.7973 13.1629 -29.5505 TIMING: 908200 CPU: 2706.27, 0.00295415/step Wall: 2706.27, 0.00295415/step, 3.35771 hours remaining, 206.703125 MB of memory in use. ENERGY: 908200 733.1899 2045.3596 1946.7874 118.3948 -205802.7371 17478.5790 0.0000 0.0000 34289.2811 -149191.1453 299.4568 -183480.4264 -149095.8974 299.4511 -28.6875 3.6133 555743.6276 8.7255 8.8289 LDB: ============= START OF LOAD BALANCING ============== 2709.82 LDB: ============== END OF LOAD BALANCING =============== 2709.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2709.82 LDB: ============= START OF LOAD BALANCING ============== 2710.11 LDB: Largest compute 4773 load 0.028495 is 24.1% of average load 0.118084 LDB: Average compute 0.001739 is 1.5% of average load 0.118084 LDB: TIME 2710.11 LOAD: AVG 0.118084 MAX 0.203088 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.727 MB LDB: TIME 2710.11 LOAD: AVG 0.118084 MAX 0.203088 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.734 MB LDB: TIME 2710.11 LOAD: AVG 0.118084 MAX 0.203088 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.734 MB LDB: ============== END OF LOAD BALANCING =============== 2710.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2710.12 PRESSURE: 908400 -144.66 43.6382 31.3251 43.6378 -225.608 -58.2161 31.3249 -58.2163 17.1288 GPRESSURE: 908400 -22.48 12.7946 110.631 120.208 -237.545 -65.4404 -72.6907 -56.3099 -1.26208 PRESSAVG: 908400 -0.748833 5.20319 19.6427 5.2032 -3.76771 -42.5032 19.6426 -42.5032 18.0264 GPRESSAVG: 908400 -0.0218744 7.72969 20.103 2.93804 -6.28582 -43.6373 19.1579 -41.9575 19.7692 TIMING: 908400 CPU: 2706.87, 0.0029819/step Wall: 2706.87, 0.0029819/step, 3.38909 hours remaining, 207.222656 MB of memory in use. ENERGY: 908400 787.3499 2114.9728 1917.1325 133.0255 -206109.6481 17551.2591 0.0000 0.0000 34519.8134 -149086.0949 301.4701 -183605.9083 -148988.4120 299.7290 -117.7131 -87.0957 557254.2345 4.5033 4.4872 PRESSURE: 908600 133.292 79.1499 33.6198 79.1502 -70.0826 -66.8647 33.62 -66.8657 -122.801 GPRESSURE: 908600 92.7623 56.9385 11.6354 75.1373 -35.46 -34.6884 39.4235 -108.485 -20.1871 PRESSAVG: 908600 -16.115 18.4178 -33.3098 18.4178 8.80485 10.6236 -33.3099 10.6235 6.69646 GPRESSAVG: 908600 -16.4661 17.1834 -34.9069 19.2216 9.95764 12.8593 -32.612 10.2078 5.62011 TIMING: 908600 CPU: 2707.46, 0.00296416/step Wall: 2707.46, 0.00296416/step, 3.36876 hours remaining, 207.222656 MB of memory in use. ENERGY: 908600 784.5446 2095.1352 1917.2347 105.2063 -206135.5648 17829.6609 0.0000 0.0000 34178.3506 -149225.4324 298.4880 -183403.7831 -149132.7543 299.2918 -19.8638 12.3717 556098.1668 -0.2046 -0.2961 PRESSURE: 908800 52.5168 -109.388 -70.6242 -109.387 -35.206 144.389 -70.6246 144.389 248.219 GPRESSURE: 908800 74.3728 -6.48172 -87.1762 -60.1778 -18.2054 64.0817 37.1634 186.034 304.952 PRESSAVG: 908800 19.7842 -35.1311 45.3796 -35.1311 -24.2609 -23.9502 45.3795 -23.9501 1.10224 GPRESSAVG: 908800 20.088 -35.6768 48.4178 -34.5199 -24.5496 -26.7977 46.2659 -25.2956 0.465743 TIMING: 908800 CPU: 2708.05, 0.00295236/step Wall: 2708.05, 0.00295236/step, 3.3552 hours remaining, 207.222656 MB of memory in use. ENERGY: 908800 749.7458 2131.0945 1930.8422 114.8339 -206657.2271 18104.6677 0.0000 0.0000 34312.0658 -149313.9772 299.6558 -183626.0430 -149213.5688 298.9892 88.5100 120.3732 555942.8702 -1.1248 -1.3320 PRESSURE: 909000 -8.43663 -30.2106 76.7467 -30.2104 169.276 -156.204 76.7467 -156.205 141.844 GPRESSURE: 909000 74.6714 -100.242 78.5528 -16.6125 174.399 -165.818 121.574 -132.842 140.932 PRESSAVG: 909000 -46.053 -1.45101 27.2675 -1.45108 26.3155 -6.79977 27.2675 -6.7997 44.5079 GPRESSAVG: 909000 -46.7992 -0.29539 24.8689 -2.22292 26.3845 -6.30424 26.7569 -6.00902 45.1648 TIMING: 909000 CPU: 2708.64, 0.00292953/step Wall: 2708.64, 0.00292953/step, 3.32909 hours remaining, 207.222656 MB of memory in use. ENERGY: 909000 755.1747 2048.7332 1942.7180 116.6658 -206619.3681 18105.5676 0.0000 0.0000 34208.5111 -149441.9977 298.7514 -183650.5088 -149347.5992 299.5358 100.8943 130.0009 556555.8169 8.2568 8.2500 PRESSURE: 909200 -117.971 -29.4765 -19.6074 -29.4766 -245.973 -2.57507 -19.6089 -2.5751 129.58 GPRESSURE: 909200 -91.2236 53.3317 34.154 -101.386 -203.333 30.8571 -54.125 -54.1923 166.796 PRESSAVG: 909200 -0.0457722 33.7796 0.912536 33.7796 -55.6486 9.74219 0.912547 9.74222 47.27 GPRESSAVG: 909200 0.551379 33.7068 0.475416 30.3943 -56.8415 6.74439 0.429056 12.8041 48.0098 TIMING: 909200 CPU: 2709.23, 0.00295948/step Wall: 2709.23, 0.00295948/step, 3.36295 hours remaining, 207.222656 MB of memory in use. ENERGY: 909200 771.8257 2064.5521 1918.7906 119.1804 -206394.0917 17778.0255 0.0000 0.0000 34257.9623 -149483.7552 299.1833 -183741.7174 -149388.9861 299.1291 -78.1212 -42.5868 556504.5868 -2.8081 -2.7601 PRESSURE: 909400 20.4837 95.282 36.1557 95.2824 -21.5457 92.1868 36.1567 92.1855 50.6162 GPRESSURE: 909400 125.887 79.5378 62.4054 14.8976 12.2262 151.993 -18.1493 147.019 14.3036 PRESSAVG: 909400 -12.4529 8.51617 12.1686 8.51617 63.9119 -0.272715 12.1686 -0.272696 -42.2282 GPRESSAVG: 909400 -12.3094 4.81999 12.2968 11.9746 64.4595 1.54182 14.0298 -1.54255 -43.0401 TIMING: 909400 CPU: 2709.82, 0.0029574/step Wall: 2709.82, 0.0029574/step, 3.36043 hours remaining, 207.484375 MB of memory in use. ENERGY: 909400 734.5522 2068.1472 1948.0676 119.4432 -206423.6546 17861.3890 0.0000 0.0000 34252.8204 -149439.2351 299.1384 -183692.0555 -149340.1563 299.1633 16.5180 50.8055 556962.4859 3.0769 3.0367 PRESSURE: 909600 -132.013 -2.47859 -155.815 -2.47786 -278.71 51.3276 -155.815 51.3256 -224.426 GPRESSURE: 909600 -73.7418 -129.187 -133.299 47.9788 -233.658 107.828 -191.222 70.1301 -227.953 PRESSAVG: 909600 17.2866 -13.5803 11.7405 -13.5804 -22.5288 40.3912 11.7405 40.3912 -0.0282378 GPRESSAVG: 909600 17.1266 -11.2413 12.2416 -14.0224 -22.9113 42.572 8.53592 39.7873 1.13986 TIMING: 909600 CPU: 2710.42, 0.00296831/step Wall: 2710.42, 0.00296831/step, 3.37266 hours remaining, 207.484375 MB of memory in use. ENERGY: 909600 763.4541 2081.2017 1935.3572 103.2665 -205843.1088 17545.7886 0.0000 0.0000 34152.1014 -149261.9393 298.2588 -183414.0406 -149169.1982 298.7367 -211.7165 -178.4511 557885.0279 -1.7568 -1.5483 PRESSURE: 909800 -165.389 82.8169 31.001 82.8163 38.9364 -7.86075 31.0015 -7.86101 -94.864 GPRESSURE: 909800 -136.296 49.5962 49.2167 73.19 87.2531 -1.59026 -35.7512 -8.80401 -63.2703 PRESSAVG: 909800 5.76853 -90.2073 34.5973 -90.2072 -46.8138 -21.1305 34.5973 -21.1305 32.8036 GPRESSAVG: 909800 5.38409 -89.629 36.4451 -89.7108 -45.497 -19.3695 36.3394 -20.6827 32.106 TIMING: 909800 CPU: 2711.01, 0.0029746/step Wall: 2711.01, 0.0029746/step, 3.37964 hours remaining, 207.484375 MB of memory in use. ENERGY: 909800 737.0250 2114.2071 1932.3978 117.1312 -206093.7232 17800.7809 0.0000 0.0000 34073.4900 -149318.6912 297.5723 -183392.1813 -149214.1778 299.0941 -73.7723 -37.4376 557554.9812 -2.7472 -2.6690 PRESSURE: 910000 -273.886 35.6975 25.6845 35.6959 -42.5066 46.5696 25.6843 46.5692 -158.697 GPRESSURE: 910000 -252.416 63.9932 13.4215 36.6464 -10.898 100.009 42.9936 25.9199 -125.727 PRESSAVG: 910000 -6.9161 -72.9429 45.6293 -72.9429 32.4649 19.4189 45.6293 19.419 -57.3783 GPRESSAVG: 910000 -7.04004 -73.3898 44.0203 -74.2178 32.3208 15.9323 45.7805 20.9742 -56.6528 TIMING: 910000 CPU: 2711.6, 0.00296396/step Wall: 2711.6, 0.00296396/step, 3.36739 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 910000 743.9650 2070.9106 1928.7137 114.3913 -205814.6813 17532.3660 0.0000 0.0000 33924.1724 -149500.1623 296.2682 -183424.3347 -149398.9768 298.2902 -158.3631 -129.6803 557376.5331 -10.6098 -10.4574 PRESSURE: 910200 -105.191 163.4 27.0105 163.4 -3.2 161.456 27.0103 161.457 -135.567 GPRESSURE: 910200 -81.6016 38.7384 82.9995 187.242 -9.96264 92.7624 23.5079 149.849 -62.9874 PRESSAVG: 910200 -33.0454 -8.03407 11.0148 -8.03408 45.8007 32.7437 11.0148 32.7436 28.0438 GPRESSAVG: 910200 -32.7173 -10.184 11.5988 -8.66544 45.7778 33.2384 11.0731 32.2777 27.4235 TIMING: 910200 CPU: 2712.2, 0.00297965/step Wall: 2712.2, 0.00297965/step, 3.38504 hours remaining, 207.484375 MB of memory in use. ENERGY: 910200 737.8191 2068.7868 1931.8112 119.2942 -206095.2246 17480.1908 0.0000 0.0000 34341.6021 -149415.7204 299.9138 -183757.3226 -149321.4549 298.3257 -81.3195 -51.5172 555386.9718 13.5997 13.4947 PRESSURE: 910400 2.61688 21.482 -196.57 21.4842 -270.789 55.481 -196.57 55.4822 45.409 GPRESSURE: 910400 -1.22926 31.0491 -111.956 36.6549 -215.712 129.064 -165.264 -17.4825 85.2377 PRESSAVG: 910400 -4.40254 8.89454 17.1962 8.89445 37.7573 3.95323 17.1961 3.95318 11.1019 GPRESSAVG: 910400 -4.01805 10.7152 15.2945 8.74292 38.2013 5.39798 19.3397 2.93475 10.8025 TIMING: 910400 CPU: 2712.79, 0.00296533/step Wall: 2712.79, 0.00296533/step, 3.36861 hours remaining, 207.484375 MB of memory in use. ENERGY: 910400 736.9560 2098.7587 1950.3436 123.0131 -205957.2701 17577.5059 0.0000 0.0000 34182.6937 -149287.9991 298.5260 -183470.6928 -149194.6642 298.8436 -74.2544 -43.9013 556663.1768 14.8189 14.9952 PRESSURE: 910600 108.25 -154.892 69.5602 -154.89 153.899 55.256 69.5598 55.2572 -70.083 GPRESSURE: 910600 137.657 -156.655 54.5574 -91.5984 152.2 53.5431 -47.7989 73.7862 11.2233 PRESSAVG: 910600 38.9523 -64.1 -42.6779 -64.0999 3.01361 62.4663 -42.678 62.4663 -0.442487 GPRESSAVG: 910600 38.5436 -65.7353 -42.2951 -63.0669 2.42452 62.2342 -45.1633 61.3327 0.589921 TIMING: 910600 CPU: 2713.39, 0.00296988/step Wall: 2713.39, 0.00296987/step, 3.37361 hours remaining, 207.484375 MB of memory in use. ENERGY: 910600 687.7233 2014.3290 1936.3730 130.3956 -206384.8263 17759.3049 0.0000 0.0000 34482.9717 -149373.7288 301.1484 -183856.7006 -149274.2208 299.1599 64.0220 100.3601 556469.7376 13.8412 13.8527 PRESSURE: 910800 -29.9332 56.3037 30.0577 56.3049 82.8588 -139.343 30.0581 -139.343 -24.3886 GPRESSURE: 910800 1.81845 16.167 167.678 68.2584 84.7112 -153.725 15.8218 -166.338 28.7218 PRESSAVG: 910800 -55.8747 -18.192 -4.89301 -18.192 56.7305 11.7637 -4.89292 11.7636 -4.53989 GPRESSAVG: 910800 -57.2711 -16.8559 -3.70832 -17.8768 55.9853 9.85842 -5.70356 12.7582 -2.79074 TIMING: 910800 CPU: 2713.98, 0.0029763/step Wall: 2713.98, 0.0029763/step, 3.38075 hours remaining, 207.484375 MB of memory in use. ENERGY: 910800 732.4174 2096.9411 1903.9716 113.6648 -206342.2126 17886.9735 0.0000 0.0000 34410.6639 -149197.5803 300.5169 -183608.2442 -149100.1754 299.6297 9.5123 38.4171 557438.4579 -1.2280 -1.3588 PRESSURE: 911000 58.2464 81.7968 -10.6494 81.7966 31.3674 120.134 -10.6487 120.134 210.784 GPRESSURE: 911000 81.962 4.7633 -47.0404 122.096 73.3354 96.4178 -47.3916 131.073 227.877 PRESSAVG: 911000 -64.36 -3.62814 2.13589 -3.62807 53.0503 3.52141 2.136 3.5214 11.6565 GPRESSAVG: 911000 -63.0881 -5.00905 1.36368 -2.27157 54.2384 3.46331 3.62545 3.49308 9.18113 TIMING: 911000 CPU: 2714.58, 0.00301269/step Wall: 2714.58, 0.00301269/step, 3.42191 hours remaining, 207.484375 MB of memory in use. ENERGY: 911000 717.8568 2136.3896 1960.7654 123.8722 -206369.7627 17992.8451 0.0000 0.0000 34255.4819 -149182.5517 299.1616 -183438.0336 -149086.1342 298.6361 100.1325 127.7247 557046.3902 0.1156 0.1104 PRESSURE: 911200 -248.976 -22.1635 25.7654 -22.1621 -205.119 -64.9883 25.7663 -64.9885 67.0416 GPRESSURE: 911200 -168.897 -65.8757 -19.9059 2.92384 -203.188 -88.5921 58.2757 -33.7029 59.3811 PRESSAVG: 911200 -32.0502 -39.7888 -6.88591 -39.7887 -7.41051 -22.7008 -6.88597 -22.701 54.5739 GPRESSAVG: 911200 -31.4739 -38.8891 -9.15262 -40.452 -7.32399 -20.6961 -5.29756 -22.0894 53.9998 TIMING: 911200 CPU: 2715.18, 0.00295778/step Wall: 2715.18, 0.00295778/step, 3.35938 hours remaining, 207.484375 MB of memory in use. ENERGY: 911200 752.6748 2116.1365 1965.0848 110.9740 -205912.9604 17713.7174 0.0000 0.0000 34034.8858 -149219.4870 297.2351 -183254.3729 -149124.4848 299.0824 -129.0180 -104.2346 559307.6717 5.0377 5.0673 PRESSURE: 911400 -142.433 3.46448 -127.063 3.46479 -0.773463 -90.2877 -127.062 -90.2865 -59.9334 GPRESSURE: 911400 -93.1022 46.8392 -102.869 -26.642 15.942 -181.295 -88.8184 -91.385 -29.2049 PRESSAVG: 911400 -24.7385 -31.5683 -15.4096 -31.5684 21.615 -6.22459 -15.4095 -6.22447 -11.9784 GPRESSAVG: 911400 -25.0421 -33.0005 -13.095 -31.6976 21.6742 -8.47412 -17.0707 -7.92519 -12.0482 TIMING: 911400 CPU: 2715.77, 0.00294843/step Wall: 2715.77, 0.00294843/step, 3.34859 hours remaining, 207.484375 MB of memory in use. ENERGY: 911400 772.0559 2078.3338 1958.2077 110.4599 -206227.0085 17667.1995 0.0000 0.0000 34331.5014 -149309.2505 299.8255 -183640.7519 -149218.2862 298.6911 -67.7131 -35.4550 557481.6768 -5.0340 -5.1387 PRESSURE: 911600 -248.783 61.6185 26.8734 61.618 -16.0307 -268.543 26.8722 -268.542 -159.596 GPRESSURE: 911600 -168.358 12.8784 42.3096 161.421 -37.1532 -379.733 -3.69437 -267.919 -123.998 PRESSAVG: 911600 -12.9169 3.61661 -18.1471 3.61655 95.1775 -55.4888 -18.1471 -55.4888 -48.4341 GPRESSAVG: 911600 -13.3629 4.41322 -17.0419 4.19816 95.5402 -54.8546 -18.2262 -55.0358 -47.658 TIMING: 911600 CPU: 2716.36, 0.00295371/step Wall: 2716.36, 0.00295371/step, 3.35443 hours remaining, 207.550781 MB of memory in use. ENERGY: 911600 727.0806 2158.0927 1961.4114 122.3861 -206029.1020 17611.3790 0.0000 0.0000 34152.6763 -149296.0759 298.2638 -183448.7522 -149196.3905 298.5315 -141.4696 -109.8366 558668.7525 11.2755 11.5065 PRESSURE: 911800 -230.249 179.671 -50.2489 179.671 -53.0012 -35.6253 -50.2491 -35.6232 -494.919 GPRESSURE: 911800 -232.19 180.335 -119.49 184.704 -16.331 8.73319 13.8355 4.77821 -446.143 PRESSAVG: 911800 -3.09816 77.1318 -44.8803 77.1319 66.113 43.6431 -44.8803 43.6431 -89.6767 GPRESSAVG: 911800 -2.78012 77.1503 -47.7239 75.6423 64.8142 43.1396 -42.5013 43.4898 -88.9232 TIMING: 911800 CPU: 2716.95, 0.00295566/step Wall: 2716.95, 0.00295566/step, 3.35648 hours remaining, 207.550781 MB of memory in use. ENERGY: 911800 755.7713 2113.6274 1960.1597 96.8314 -206167.5860 17491.4191 0.0000 0.0000 34384.1151 -149365.6622 300.2850 -183749.7772 -149267.8489 298.5628 -259.3897 -231.5547 557279.1275 -8.8873 -8.9631 PRESSURE: 912000 -220.04 -55.1281 -142.262 -55.1294 -166.022 -20.289 -142.263 -20.2886 -296.392 GPRESSURE: 912000 -203.473 38.2973 -142.477 -72.1202 -125.156 12.7913 -220.822 -50.5792 -256.493 PRESSAVG: 912000 43.7256 27.396 -14.9866 27.396 27.2058 -6.86898 -14.9866 -6.86907 -60.0999 GPRESSAVG: 912000 42.9831 29.3871 -15.3827 28.2678 28.6093 -5.40529 -15.8019 -9.36984 -60.9347 TIMING: 912000 CPU: 2717.54, 0.002947/step Wall: 2717.54, 0.002947/step, 3.34648 hours remaining, 207.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 912000 766.1047 2086.7881 1926.6164 114.0991 -205831.7125 17470.4046 0.0000 0.0000 34205.9530 -149261.7466 298.7291 -183467.6996 -149160.5893 298.6263 -227.4846 -195.0406 556085.8208 3.6105 3.5526 PRESSURE: 912200 -173.311 -61.8026 57.2986 -61.8023 82.4553 45.7051 57.2979 45.7072 -172.35 GPRESSURE: 912200 -173.862 -34.5035 110.372 -80.0314 108.616 165.031 -7.99481 25.9507 -122.253 PRESSAVG: 912200 1.48306 23.8702 -10.8235 23.8703 0.378243 18.7794 -10.8236 18.7793 -14.4167 GPRESSAVG: 912200 1.16165 21.6823 -9.80896 23.1434 0.721553 19.039 -11.5773 21.0304 -14.2869 TIMING: 912200 CPU: 2718.13, 0.00297529/step Wall: 2718.13, 0.00297529/step, 3.37844 hours remaining, 207.550781 MB of memory in use. ENERGY: 912200 783.4148 2100.4565 1916.9115 107.6955 -205747.3358 17504.1290 0.0000 0.0000 34266.7952 -149067.9332 299.2604 -183334.7284 -148964.6007 299.1924 -87.7354 -62.4995 555644.1441 -4.1851 -4.1346 LDB: ============= START OF LOAD BALANCING ============== 2721.68 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2721.68 LDB: =============== DONE WITH MIGRATION ================ 2721.68 LDB: ============= START OF LOAD BALANCING ============== 2721.98 LDB: Largest compute 4773 load 0.029845 is 25.3% of average load 0.118090 LDB: Average compute 0.001738 is 1.5% of average load 0.118090 LDB: TIME 2721.98 LOAD: AVG 0.11809 MAX 0.204995 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 2721.98 LOAD: AVG 0.11809 MAX 0.204995 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 2721.98 LOAD: AVG 0.11809 MAX 0.204995 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: ============== END OF LOAD BALANCING =============== 2721.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2721.99 PRESSURE: 912400 -2.8387 35.1746 23.8406 35.1747 139.865 109.529 23.8406 109.529 -64.0504 GPRESSURE: 912400 49.8255 113.219 133.087 -60.1574 154.543 77.3031 -7.25493 117.007 -43.3441 PRESSAVG: 912400 -50.2384 0.521474 7.65462 0.521544 46.8331 63.8827 7.65459 63.8826 3.9157 GPRESSAVG: 912400 -49.3285 1.24443 9.24797 0.801176 47.129 61.3515 7.45763 66.4246 3.18139 TIMING: 912400 CPU: 2718.74, 0.00302376/step Wall: 2718.74, 0.00302376/step, 3.43332 hours remaining, 206.710938 MB of memory in use. ENERGY: 912400 700.3787 2150.1169 1946.4076 104.2990 -205903.2885 17614.2898 0.0000 0.0000 34446.1929 -148941.6036 300.8272 -183387.7965 -148842.2707 299.4988 24.3252 53.6748 557232.2735 0.1701 0.3273 PRESSURE: 912600 171.638 175.668 -139.505 175.668 -60.7656 141.71 -139.505 141.708 -315.736 GPRESSURE: 912600 189.948 104.656 -171.293 96.3275 -56.1353 150.372 -93.1695 28.597 -252.974 PRESSAVG: 912600 36.1778 37.4787 6.68574 37.4788 33.4777 -2.40703 6.68576 -2.40701 -23.4806 GPRESSAVG: 912600 34.9552 38.4044 6.6029 35.8353 32.8498 0.29684 6.05032 -5.4701 -21.5935 TIMING: 912600 CPU: 2719.33, 0.00294715/step Wall: 2719.33, 0.00294715/step, 3.34617 hours remaining, 206.710938 MB of memory in use. ENERGY: 912600 758.8879 2113.1072 1912.1327 106.6020 -206200.7839 17811.3213 0.0000 0.0000 34453.4982 -149045.2347 300.8910 -183498.7329 -148941.7970 300.9888 -68.2878 -39.7205 556699.8368 15.3917 15.4039 PRESSURE: 912800 -206.704 10.8832 -35.0309 10.8843 -87.4001 101.334 -35.0304 101.334 -258.788 GPRESSURE: 912800 -157.474 70.2527 -4.33905 83.5911 -26.0562 130.079 2.87445 86.6127 -270.017 PRESSAVG: 912800 7.99962 -8.85209 3.79446 -8.85207 -14.1583 89.0786 3.79433 89.0786 -19.1742 GPRESSAVG: 912800 8.38133 -10.9444 3.21216 -5.66576 -15.4306 89.0099 4.11382 89.9275 -17.5755 TIMING: 912800 CPU: 2719.91, 0.00292364/step Wall: 2719.91, 0.00292364/step, 3.31931 hours remaining, 206.710938 MB of memory in use. ENERGY: 912800 747.8218 2140.6210 1934.9392 115.0269 -205885.2932 17420.2062 0.0000 0.0000 34415.1642 -149111.5139 300.5562 -183526.6781 -149016.7513 299.8994 -184.2974 -151.1825 557412.5589 -8.4443 -8.2083 PRESSURE: 913000 -31.4658 -93.1507 -3.31272 -93.1522 -21.66 -61.3242 -3.3116 -61.3264 -10.9597 GPRESSURE: 913000 17.6963 -112.091 -0.3309 -205.344 1.18087 -34.3688 -9.67594 -59.5146 17.6933 PRESSAVG: 913000 -28.3802 -50.5084 -67.3938 -50.5084 7.19565 32.0031 -67.3936 32.003 2.25336 GPRESSAVG: 913000 -27.8327 -49.7612 -68.2988 -50.6206 8.46098 30.6678 -66.5941 33.6594 0.407391 TIMING: 913000 CPU: 2720.5, 0.00295858/step Wall: 2720.5, 0.00295858/step, 3.35881 hours remaining, 206.710938 MB of memory in use. ENERGY: 913000 763.1455 2178.0059 1948.1313 117.8337 -206029.5500 17753.1826 0.0000 0.0000 34132.1864 -149137.0646 298.0849 -183269.2510 -149045.2206 299.9103 -21.3619 12.1902 557087.4682 -6.3104 -6.3215 PRESSURE: 913200 -10.3226 -7.69646 128.946 -7.69737 -39.4639 -18.5688 128.947 -18.5689 21.6579 GPRESSURE: 913200 -9.11433 22.1308 163.437 -56.6081 -3.59372 -98.5757 123.024 -19.4178 81.4015 PRESSAVG: 913200 44.4817 -60.0728 35.7217 -60.0729 -7.87314 15.3142 35.7217 15.3142 -47.9775 GPRESSAVG: 913200 44.1755 -58.4664 35.5742 -60.2977 -7.07337 16.9604 35.939 13.5021 -48.163 TIMING: 913200 CPU: 2721.1, 0.00296719/step Wall: 2721.1, 0.00296719/step, 3.36842 hours remaining, 206.710938 MB of memory in use. ENERGY: 913200 737.5255 2113.6997 1947.4755 117.5949 -205909.5700 17574.3789 0.0000 0.0000 34432.7880 -148986.1074 300.7101 -183418.8954 -148894.1892 299.4536 -9.3762 22.8978 556786.5918 -3.7897 -3.6870 PRESSURE: 913400 -63.1736 -120.028 45.226 -120.028 80.2145 -50.5427 45.2265 -50.5419 -167.229 GPRESSURE: 913400 -82.5165 -114.481 -65.6606 -138.325 155.16 -62.9707 157.248 -28.3544 -121.455 PRESSAVG: 913400 -17.5066 -76.7606 -37.5072 -76.7606 17.7591 -19.4462 -37.5072 -19.4465 9.17233 GPRESSAVG: 913400 -16.684 -76.8068 -34.826 -76.34 16.4329 -20.7519 -39.2984 -20.0222 9.53825 TIMING: 913400 CPU: 2721.69, 0.00297509/step Wall: 2721.69, 0.00297509/step, 3.37723 hours remaining, 206.710938 MB of memory in use. ENERGY: 913400 768.2781 2157.3039 1951.3510 116.6435 -205875.9634 17595.6489 0.0000 0.0000 34357.8598 -148928.8782 300.0557 -183286.7380 -148837.5256 299.7498 -50.0628 -16.2706 556502.3911 3.1416 3.0957 PRESSURE: 913600 -96.1494 58.3509 -156.35 58.351 -258.714 51.0006 -156.35 51.0021 -204.822 GPRESSURE: 913600 -74.4816 56.8219 -102.428 44.0164 -228.582 38.9083 -229.904 46.5242 -157.721 PRESSAVG: 913600 -28.4233 -5.86591 -8.02793 -5.86586 -9.90586 -8.58864 -8.02785 -8.58865 39.5351 GPRESSAVG: 913600 -28.6127 -8.58857 -11.0471 -6.93851 -8.9346 -10.6238 -7.91411 -6.40047 38.7152 TIMING: 913600 CPU: 2722.29, 0.00297814/step Wall: 2722.29, 0.00297814/step, 3.38052 hours remaining, 206.710938 MB of memory in use. ENERGY: 913600 743.9730 2097.2164 1916.6145 115.8709 -205713.6455 17625.9150 0.0000 0.0000 34336.8280 -148877.2277 299.8721 -183214.0557 -148773.1131 300.4421 -186.5617 -153.5948 557946.7776 0.4020 0.3893 PRESSURE: 913800 -15.0669 46.5291 -23.8355 46.529 -231.481 69.3592 -23.8361 69.3597 -12.359 GPRESSURE: 913800 51.0086 73.5539 4.39422 65.1938 -229.66 145.422 55.3023 49.5684 28.8095 PRESSAVG: 913800 0.658016 18.7708 8.19136 18.7707 -38.5389 -3.23895 8.19136 -3.23913 54.2593 GPRESSAVG: 913800 0.464008 22.4457 9.49618 19.7007 -40.0503 -1.20308 10.0514 -4.73044 56.1757 TIMING: 913800 CPU: 2722.88, 0.00298103/step Wall: 2722.88, 0.00298103/step, 3.38363 hours remaining, 206.710938 MB of memory in use. ENERGY: 913800 743.5989 2090.3488 1950.6559 121.7972 -206194.2096 17801.9063 0.0000 0.0000 34444.3599 -149041.5427 300.8112 -183485.9026 -148948.0827 299.8041 -86.3022 -49.9474 558441.8372 5.4595 5.5298 PRESSURE: 914000 -110.911 -121.027 -44.2716 -121.028 36.2135 24.0788 -44.2699 24.078 119.984 GPRESSURE: 914000 -70.8962 -116.354 -118.021 -29.3505 68.7333 -64.6985 -26.9937 99.0588 161.641 PRESSAVG: 914000 -29.1608 43.6694 21.7076 43.6694 -10.9489 31.0568 21.7077 31.0568 34.4641 GPRESSAVG: 914000 -28.207 40.5224 19.9276 45.0601 -10.3782 30.99 21.2545 31.6522 33.0785 TIMING: 914000 CPU: 2723.48, 0.00296339/step Wall: 2723.48, 0.00296339/step, 3.36344 hours remaining, 206.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 914000 765.4582 2061.9055 1958.0026 113.6871 -206093.3883 17833.4267 0.0000 0.0000 34471.6722 -148889.2360 301.0497 -183360.9082 -148792.2413 299.3369 15.0954 53.1593 558246.5271 -1.8819 -1.8356 PRESSURE: 914200 108.234 127.38 220.035 127.38 222.348 -106.744 220.034 -106.744 -61.448 GPRESSURE: 914200 163.525 166.704 112.155 76.5602 253.788 -51.9292 262.074 -117.646 -45.3349 PRESSAVG: 914200 -36.6086 29.4864 42.5447 29.4864 -25.3633 -22.945 42.5447 -22.945 78.2995 GPRESSAVG: 914200 -38.215 30.1671 42.0854 27.3973 -24.2296 -21.9887 42.9455 -24.7266 78.939 TIMING: 914200 CPU: 2724.07, 0.00295997/step Wall: 2724.07, 0.00295997/step, 3.3594 hours remaining, 206.710938 MB of memory in use. ENERGY: 914200 726.2883 2094.3646 1932.2958 113.2213 -206004.2120 17929.0935 0.0000 0.0000 34276.3861 -148932.5625 299.3442 -183208.9486 -148842.9857 299.7248 89.7113 123.9926 558110.9918 5.4425 5.4981 PRESSURE: 914400 228.289 -71.6215 29.183 -71.6205 274.346 -14.5512 29.1833 -14.5506 -10.4909 GPRESSURE: 914400 224.945 -59.7603 48.3171 -45.4043 343.852 -22.1175 101.034 -38.956 31.0029 PRESSAVG: 914400 -41.0276 25.3087 36.805 25.3087 -16.5972 7.87458 36.805 7.87457 73.0413 GPRESSAVG: 914400 -40.5636 24.4034 37.5272 26.2619 -17.3867 10.249 37.9047 8.9578 73.4156 TIMING: 914400 CPU: 2724.66, 0.00295104/step Wall: 2724.66, 0.00295104/step, 3.3491 hours remaining, 206.710938 MB of memory in use. ENERGY: 914400 734.5469 2081.7363 1940.2087 112.0251 -206025.2096 17857.5987 0.0000 0.0000 34375.0407 -148924.0532 300.2058 -183299.0939 -148822.0487 300.3223 164.0479 199.9334 556760.5992 5.1388 5.1551 PRESSURE: 914600 154.48 -105.896 60.6687 -105.896 3.08789 83.1128 60.668 83.1133 -41.8359 GPRESSURE: 914600 234.883 -28.6555 60.9073 -71.9279 2.38881 72.3712 122.338 35.8232 -14.1352 PRESSAVG: 914600 -25.2339 -22.0096 60.6373 -22.0097 5.16739 50.0053 60.6373 50.0054 19.5512 GPRESSAVG: 914600 -24.884 -22.2281 63.0288 -20.9968 5.02769 44.0464 58.3639 50.4876 19.2175 TIMING: 914600 CPU: 2725.25, 0.00296206/step Wall: 2725.25, 0.00296206/step, 3.36144 hours remaining, 206.710938 MB of memory in use. ENERGY: 914600 725.1891 2084.9996 1923.3647 111.5261 -206001.3051 17783.6156 0.0000 0.0000 34244.9098 -149127.7002 299.0693 -183372.6100 -149032.3650 299.4373 38.5773 74.3787 557117.8426 -0.1718 -0.2129 PRESSURE: 914800 -129.754 -85.9045 24.034 -85.9043 -195.338 -122.744 24.0347 -122.745 26.2304 GPRESSURE: 914800 -82.5105 -0.189033 12.7472 -136.267 -145.933 -54.9747 191.805 -129.821 23.546 PRESSAVG: 914800 42.9336 14.9601 28.016 14.9601 -3.26946 -10.5008 28.016 -10.5008 -23.1994 GPRESSAVG: 914800 43.1457 16.5901 26.3916 14.4751 -2.51295 -8.6413 28.7465 -10.1269 -23.9335 TIMING: 914800 CPU: 2725.84, 0.00295525/step Wall: 2725.84, 0.00295525/step, 3.35355 hours remaining, 206.710938 MB of memory in use. ENERGY: 914800 760.1327 2068.4334 1910.6144 119.2226 -206057.9806 17700.3997 0.0000 0.0000 34144.1131 -149355.0647 298.1890 -183499.1778 -149257.6090 298.8749 -99.6204 -68.2990 558014.9450 5.4883 5.5664 PRESSURE: 915000 -52.8626 -8.32903 -3.47985 -8.32916 -365.475 -76.0989 -3.47883 -76.1002 -165.879 GPRESSURE: 915000 22.8756 -74.6897 -62.4775 62.4023 -357.677 -104.58 -48.6126 -43.3608 -138.766 PRESSAVG: 915000 25.7206 2.75162 32.1597 2.7516 -56.74 32.5168 32.1597 32.5167 10.4881 GPRESSAVG: 915000 24.7804 2.39912 32.307 2.42511 -56.8668 32.4482 31.0662 31.3361 11.3471 TIMING: 915000 CPU: 2726.43, 0.0029454/step Wall: 2726.43, 0.0029454/step, 3.34221 hours remaining, 206.710938 MB of memory in use. ENERGY: 915000 739.3937 2065.4868 1946.4245 121.3440 -206116.6046 17619.5838 0.0000 0.0000 34291.5028 -149332.8690 299.4762 -183624.3717 -149227.3408 298.6658 -194.7389 -157.8558 558387.8860 -6.8438 -6.9131 PRESSURE: 915200 179.931 63.3335 20.5761 63.3328 -172.257 10.6378 20.5751 10.6388 -352.069 GPRESSURE: 915200 199.835 77.2487 26.6886 56.1212 -129.786 32.2689 -60.2799 -7.44253 -324.555 PRESSAVG: 915200 23.3238 -21.8837 18.2392 -21.8837 -66.2196 6.90195 18.2392 6.90188 31.8105 GPRESSAVG: 915200 22.6936 -22.8749 17.6651 -22.0516 -66.4523 6.22383 18.7594 6.84465 32.4299 TIMING: 915200 CPU: 2727.02, 0.00295833/step Wall: 2727.02, 0.00295833/step, 3.35672 hours remaining, 206.710938 MB of memory in use. ENERGY: 915200 728.6966 2011.6233 1925.2171 123.9517 -205875.0618 17482.9960 0.0000 0.0000 34254.5272 -149348.0499 299.1533 -183602.5772 -149242.9875 298.5340 -114.7981 -84.8351 557914.2018 -3.6951 -3.7762 PRESSURE: 915400 -191.835 -119.559 129.65 -119.558 -22.4013 -97.8119 129.649 -97.8107 2.70076 GPRESSURE: 915400 -167.616 -104.687 166.566 3.94084 24.177 -134.59 43.6909 -103.673 29.3631 PRESSAVG: 915400 28.2821 -40.6334 34.4701 -40.6335 -57.5188 -23.309 34.4701 -23.3091 24.0786 GPRESSAVG: 915400 28.0419 -41.1891 35.1503 -39.7364 -57.1147 -21.5941 35.2452 -23.2609 23.3105 TIMING: 915400 CPU: 2727.61, 0.00295786/step Wall: 2727.61, 0.00295786/step, 3.35602 hours remaining, 206.710938 MB of memory in use. ENERGY: 915400 751.7324 2097.0632 1951.6085 103.5367 -206291.9132 17653.7051 0.0000 0.0000 34329.1395 -149405.1279 299.8049 -183734.2673 -149303.3267 299.5202 -70.5117 -38.0252 556102.3917 -1.7194 -1.9208 PRESSURE: 915600 -134.654 -4.3897 87.2694 -4.3888 123.612 -136.629 87.2707 -136.628 27.019 GPRESSURE: 915600 -82.2343 -49.4669 75.0417 13.5353 147.633 -143.771 88.782 -143.556 64.0141 PRESSAVG: 915600 -1.18284 -32.87 6.06759 -32.87 -16.3298 -10.2883 6.06758 -10.2883 28.8929 GPRESSAVG: 915600 -0.0981952 -30.9851 7.06374 -35.4976 -17.0411 -11.0959 4.65726 -10.681 29.2681 TIMING: 915600 CPU: 2728.21, 0.00297161/step Wall: 2728.21, 0.00297161/step, 3.37145 hours remaining, 206.710938 MB of memory in use. ENERGY: 915600 756.2805 2098.4553 1971.1064 111.5142 -206734.3227 17980.6961 0.0000 0.0000 34343.6471 -149472.6230 299.9316 -183816.2701 -149375.7414 298.7313 5.3258 43.1376 557136.4001 3.7934 4.0429 PRESSURE: 915800 69.4485 -45.5185 120.66 -45.5166 -60.379 -31.1832 120.659 -31.1829 -21.1586 GPRESSURE: 915800 114.354 -66.04 177.421 -41.1375 -54.5286 -104.877 77.5399 -36.8116 18.3187 PRESSAVG: 915800 -36.1492 13.4518 -11.3255 13.4517 31.0063 -37.129 -11.3254 -37.129 12.6461 GPRESSAVG: 915800 -36.4711 12.9586 -13.7144 14.5512 30.714 -36.6313 -9.8041 -36.0725 12.8094 TIMING: 915800 CPU: 2728.8, 0.00297332/step Wall: 2728.8, 0.00297331/step, 3.37323 hours remaining, 206.710938 MB of memory in use. ENERGY: 915800 703.6033 2069.5315 1962.7192 120.4435 -206575.7308 17991.0661 0.0000 0.0000 34272.1459 -149456.2212 299.3072 -183728.3671 -149356.7227 298.4441 -4.0297 26.0481 558391.1430 2.5010 2.3508 PRESSURE: 916000 -328.321 -127.942 -291.975 -127.942 -180.794 -25.3175 -291.976 -25.3168 81.3933 GPRESSURE: 916000 -273.154 -84.7917 -327.114 -171.486 -155.7 14.2777 -270.185 -54.8822 94.993 PRESSAVG: 916000 34.5482 -60.2684 39.8042 -60.2685 -37.6936 -0.477383 39.8042 -0.477471 -13.0563 GPRESSAVG: 916000 34.6319 -60.5678 42.489 -60.6676 -37.231 -1.22181 39.8955 -0.314816 -13.8934 TIMING: 916000 CPU: 2729.4, 0.00296673/step Wall: 2729.4, 0.00296673/step, 3.36559 hours remaining, 206.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 916000 763.2869 2066.5061 1930.6076 127.2484 -206150.2379 17754.5246 0.0000 0.0000 34113.3843 -149394.6799 297.9207 -183508.0643 -149300.5411 298.6194 -142.5738 -111.2867 558531.6762 -5.4006 -5.4975 PRESSURE: 916200 77.6994 -110.521 -18.1575 -110.521 -271.593 153.504 -18.1568 153.506 -132.719 GPRESSURE: 916200 99.9528 -70.317 -42.8621 -200.17 -271.312 168.413 -90.3284 60.6013 -56.707 PRESSAVG: 916200 24.4602 -48.731 30.0266 -48.7308 -5.45393 -47.3357 30.0266 -47.3358 -52.7341 GPRESSAVG: 916200 23.6317 -46.8408 29.4571 -48.2282 -5.55715 -46.4689 28.2672 -48.0497 -51.8354 TIMING: 916200 CPU: 2729.99, 0.00295626/step Wall: 2729.99, 0.00295626/step, 3.35355 hours remaining, 206.710938 MB of memory in use. ENERGY: 916200 749.4428 2090.2329 1970.0830 105.7403 -206141.4972 17691.9391 0.0000 0.0000 34295.1067 -149238.9525 299.5077 -183534.0592 -149142.2638 299.0563 -108.8711 -76.0222 556631.8090 -11.2426 -11.2536 LDB: ============= START OF LOAD BALANCING ============== 2733.53 LDB: ============== END OF LOAD BALANCING =============== 2733.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2733.53 LDB: ============= START OF LOAD BALANCING ============== 2733.83 LDB: Largest compute 4773 load 0.028379 is 24.0% of average load 0.118083 LDB: Average compute 0.001736 is 1.5% of average load 0.118083 LDB: TIME 2733.84 LOAD: AVG 0.118083 MAX 0.208117 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 2733.84 LOAD: AVG 0.118083 MAX 0.208117 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: TIME 2733.84 LOAD: AVG 0.118083 MAX 0.208117 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2733.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2733.84 PRESSURE: 916400 -277.013 9.42865 -9.64358 9.42828 -142.205 18.1552 -9.64346 18.155 41.154 GPRESSURE: 916400 -244.14 100.575 -60.4864 3.81449 -100.37 85.7095 -7.90733 -25.0611 70.6299 PRESSAVG: 916400 -64.7977 -66.3718 42.3135 -66.3718 45.7437 -4.89914 42.3136 -4.89925 -15.372 GPRESSAVG: 916400 -64.8827 -67.8019 42.3652 -65.5177 45.6004 -1.78799 42.3296 -5.83036 -15.5999 TIMING: 916400 CPU: 2730.59, 0.00302984/step Wall: 2730.59, 0.00302984/step, 3.43684 hours remaining, 208.503906 MB of memory in use. ENERGY: 916400 752.4347 2072.5718 1947.8546 92.5034 -206012.4722 17562.6499 0.0000 0.0000 34287.1763 -149297.2816 299.4384 -183584.4579 -149196.6127 299.1791 -126.0212 -91.2932 556864.5210 -11.4753 -11.6274 PRESSURE: 916600 109.322 -98.4244 -52.9943 -98.4261 121.862 -140.035 -52.9928 -140.035 -84.0442 GPRESSURE: 916600 96.9708 -168.267 -146.369 -92.4132 171.994 -98.0277 -32.0712 -177.978 -23.5768 PRESSAVG: 916600 -51.2698 -19.5128 39.0944 -19.5127 -8.88964 -2.32867 39.0944 -2.32863 90.136 GPRESSAVG: 916600 -51.0061 -20.9971 39.3592 -18.3504 -8.05198 -5.28593 41.4246 0.0414326 89.0927 TIMING: 916600 CPU: 2731.18, 0.00295771/step Wall: 2731.18, 0.00295771/step, 3.35486 hours remaining, 208.503906 MB of memory in use. ENERGY: 916600 729.4441 2128.9022 1951.1663 110.5495 -206497.8903 17956.7050 0.0000 0.0000 34260.8328 -149360.2905 299.2084 -183621.1233 -149277.0841 299.0221 49.0467 81.7959 558389.8566 9.9922 10.0115 PRESSURE: 916800 -64.5482 57.5374 218.145 57.537 -102.306 -93.3496 218.143 -93.3486 -139.482 GPRESSURE: 916800 -8.17819 12.0255 260.6 10.2905 -74.8337 -124.851 149.143 -75.8267 -136.368 PRESSAVG: 916800 -4.37253 -28.6478 -1.42617 -28.648 -24.3537 0.707904 -1.42607 0.707891 38.7495 GPRESSAVG: 916800 -4.57721 -24.9376 -0.319864 -31.9001 -23.1831 1.09832 -4.21042 -0.566413 37.4201 TIMING: 916800 CPU: 2731.78, 0.00297124/step Wall: 2731.78, 0.00297124/step, 3.37005 hours remaining, 208.503906 MB of memory in use. ENERGY: 916800 764.9499 2086.7417 1959.5642 104.8557 -206065.0745 17757.3374 0.0000 0.0000 34028.4538 -149363.1718 297.1790 -183391.6256 -149271.3448 299.2991 -102.1121 -73.1266 558471.0708 3.3411 3.2199 PRESSURE: 917000 131.678 140.694 -176.319 140.694 -76.2371 -112.983 -176.318 -112.984 -313.055 GPRESSURE: 917000 135.667 37.1679 -53.9688 119.225 -43.3665 -62.5045 -278.817 -196.05 -251.224 PRESSAVG: 917000 -26.284 41.767 3.67393 41.767 44.1304 -34.9737 3.67395 -34.9738 -63.9921 GPRESSAVG: 917000 -25.6388 41.0421 2.82799 43.5492 41.7168 -33.5446 3.81896 -37.1071 -62.2289 TIMING: 917000 CPU: 2732.38, 0.00298406/step Wall: 2732.38, 0.00298406/step, 3.38442 hours remaining, 208.503906 MB of memory in use. ENERGY: 917000 789.8804 2112.5162 1937.4212 118.6124 -206184.9429 17749.2616 0.0000 0.0000 34185.9061 -149291.3450 298.5540 -183477.2511 -149200.6624 299.1694 -85.8712 -52.9746 555960.8772 -15.3819 -15.3836 PRESSURE: 917200 -229.797 7.93685 122.675 7.93565 -80.456 29.3705 122.675 29.3684 -12.7106 GPRESSURE: 917200 -172.201 -34.9211 88.2836 79.9746 -92.2391 54.5377 74.5956 12.0359 41.8437 PRESSAVG: 917200 -37.3285 10.1961 17.262 10.1962 51.001 -23.6464 17.262 -23.6465 -25.7629 GPRESSAVG: 917200 -37.9471 9.09606 16.5462 11.7803 50.6721 -25.3505 17.2447 -24.1142 -25.2924 TIMING: 917200 CPU: 2732.97, 0.00297826/step Wall: 2732.97, 0.00297826/step, 3.37767 hours remaining, 208.570312 MB of memory in use. ENERGY: 917200 746.7698 2064.4191 1940.9451 107.1190 -205910.0894 17672.7150 0.0000 0.0000 33964.8395 -149413.2817 296.6234 -183378.1212 -149303.7067 298.4166 -107.6546 -74.1988 557639.3243 -4.0301 -4.1891 PRESSURE: 917400 -349.896 -46.7535 -95.213 -46.7523 -55.3253 88.5168 -95.2134 88.5172 -132.308 GPRESSURE: 917400 -316.908 67.9626 -41.6941 -84.4683 -1.61502 66.9848 -163.444 81.4054 -120.288 PRESSAVG: 917400 -36.2113 20.9017 44.205 20.9018 36.4109 29.7931 44.205 29.7931 6.4742 GPRESSAVG: 917400 -35.933 21.2011 43.8545 20.2758 36.8868 31.0193 44.655 32.7835 5.39444 TIMING: 917400 CPU: 2733.57, 0.00297494/step Wall: 2733.57, 0.00297494/step, 3.37375 hours remaining, 208.570312 MB of memory in use. ENERGY: 917400 793.3347 2138.5944 1904.8288 118.4523 -206042.5673 17568.2049 0.0000 0.0000 34109.2363 -149409.9159 297.8844 -183519.1522 -149319.7076 298.1110 -179.1766 -146.2703 556735.4247 2.2246 2.1161 PRESSURE: 917600 -258.985 73.0853 22.9088 73.0853 233.672 32.9863 22.9095 32.9859 47.8073 GPRESSURE: 917600 -242.366 95.26 -52.3312 122.685 208.434 63.0318 26.5577 -32.1715 163.358 PRESSAVG: 917600 12.4265 12.9183 -63.0259 12.9183 -0.130443 21.2432 -63.0258 21.2431 -19.9039 GPRESSAVG: 917600 11.8987 11.7616 -62.6252 14.7456 -0.827398 21.9827 -62.545 19.5618 -18.8567 TIMING: 917600 CPU: 2734.16, 0.00296549/step Wall: 2734.16, 0.00296549/step, 3.36287 hours remaining, 208.570312 MB of memory in use. ENERGY: 917600 755.5173 2175.0650 1953.1834 111.5658 -206395.6907 17798.2574 0.0000 0.0000 34142.2940 -149459.8079 298.1731 -183602.1019 -149365.2184 298.7427 7.4980 43.1418 556197.3149 -2.5360 -2.5951 PRESSURE: 917800 -199.6 30.6102 -122.328 30.6097 -121.363 -85.6499 -122.328 -85.6489 -157.448 GPRESSURE: 917800 -178.815 49.8727 -191.783 117.238 -73.541 -90.4111 -65.8015 -111.203 -145.255 PRESSAVG: 917800 -16.16 -9.11896 -11.6603 -9.11889 -48.6014 -3.26203 -11.6602 -3.262 29.6079 GPRESSAVG: 917800 -17.2959 -7.56372 -13.1014 -12.41 -48.6676 -5.28516 -11.1648 -0.00797413 31.0569 TIMING: 917800 CPU: 2734.75, 0.00295334/step Wall: 2734.75, 0.00295334/step, 3.34892 hours remaining, 208.570312 MB of memory in use. ENERGY: 917800 778.8814 2112.6529 1935.8581 112.6180 -205951.9526 17510.6972 0.0000 0.0000 34259.2114 -149242.0336 299.1942 -183501.2450 -149149.1530 299.1056 -159.4705 -132.5367 557311.9774 -11.7178 -11.6355 PRESSURE: 918000 60.8435 -13.9819 -133.54 -13.9829 119.939 -3.31114 -133.539 -3.31243 159.568 GPRESSURE: 918000 108.045 -7.0916 -190.548 -50.5184 161.221 21.5853 -91.424 51.5531 162.891 PRESSAVG: 918000 23.5652 9.32788 -51.2066 9.3279 -7.3319 42.9382 -51.2066 42.9382 11.1387 GPRESSAVG: 918000 24.1515 10.9963 -50.2796 9.18386 -5.87447 45.4695 -52.0083 40.551 9.15273 TIMING: 918000 CPU: 2735.34, 0.00295769/step Wall: 2735.34, 0.00295769/step, 3.3537 hours remaining, 208.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 918000 729.2526 2042.1786 1907.2974 112.5811 -206286.5294 17873.2530 0.0000 0.0000 34416.3207 -149205.6460 300.5663 -183621.9667 -149105.9109 299.4285 113.4502 144.0525 556467.3653 9.1240 9.1433 PRESSURE: 918200 -92.4263 -53.3539 -37.147 -53.3559 -7.43002 130.512 -37.1476 130.512 177.449 GPRESSURE: 918200 6.30838 58.7271 81.7822 -60.6367 -11.0288 190.509 -10.8766 118.528 186.991 PRESSAVG: 918200 34.8661 -25.9731 -36.7863 -25.9732 -8.23036 -7.24021 -36.7863 -7.24018 -13.5042 GPRESSAVG: 918200 36.4099 -26.9169 -36.3783 -25.0339 -9.40007 -9.9793 -36.9932 -5.32479 -13.7896 TIMING: 918200 CPU: 2735.93, 0.0029374/step Wall: 2735.93, 0.0029374/step, 3.33052 hours remaining, 208.570312 MB of memory in use. ENERGY: 918200 752.2522 2098.6647 1944.8324 112.6353 -205949.7176 17670.4053 0.0000 0.0000 34340.5180 -149030.4097 299.9043 -183370.9277 -148944.9467 300.6451 25.8644 60.7567 556124.0901 4.3772 4.4067 PRESSURE: 918400 -124.706 -126.292 -44.7624 -126.292 7.24631 -119.744 -44.7627 -119.742 -147.656 GPRESSURE: 918400 -106.603 -102.981 8.97871 -69.3694 66.5027 -150.661 -152.801 -57.2655 -131.747 PRESSAVG: 918400 15.4594 -21.5805 -71.6233 -21.5805 56.4526 29.9523 -71.6234 29.9522 -122.853 GPRESSAVG: 918400 13.8349 -20.9886 -69.2569 -21.5915 56.7638 30.4683 -71.9606 28.9332 -121.878 TIMING: 918400 CPU: 2736.52, 0.00295393/step Wall: 2736.52, 0.00295394/step, 3.34911 hours remaining, 208.570312 MB of memory in use. ENERGY: 918400 768.0460 2054.9381 1959.5754 107.4316 -206165.2226 17797.8978 0.0000 0.0000 34365.6675 -149111.6662 300.1239 -183477.3337 -149010.8450 299.7469 -88.3720 -57.2822 558380.5337 -16.9804 -17.0931 PRESSURE: 918600 56.7672 -133.421 16.9622 -133.422 123.738 41.8641 16.9629 41.865 174.677 GPRESSURE: 918600 132.527 -139.684 -25.1105 -116.755 161.359 113.048 27.1047 84.7638 166.463 PRESSAVG: 918600 20.0065 -28.0145 -39.2851 -28.0145 -0.421817 29.3269 -39.2851 29.3268 -4.25102 GPRESSAVG: 918600 20.8149 -31.6619 -42.6274 -26.463 -0.0403715 32.0055 -38.5759 28.4098 -5.06115 TIMING: 918600 CPU: 2737.12, 0.00298668/step Wall: 2737.12, 0.00298668/step, 3.38606 hours remaining, 208.570312 MB of memory in use. ENERGY: 918600 726.7211 2080.3431 1914.4330 107.0158 -206479.3867 17964.0311 0.0000 0.0000 34478.0728 -149208.7699 301.1056 -183686.8427 -149113.1651 299.8123 118.3940 153.4497 556312.3173 5.1112 5.2378 PRESSURE: 918800 369.52 -62.3385 -98.1891 -62.3403 31.0875 -78.122 -98.1893 -78.1209 158.689 GPRESSURE: 918800 442.29 -78.9439 -69.5882 -1.34383 -0.247699 -131.548 -92.3006 -27.5056 207.005 PRESSAVG: 918800 60.7996 -4.8968 40.5926 -4.89679 -4.43545 38.4278 40.5926 38.4278 -13.5268 GPRESSAVG: 918800 61.5411 -0.507734 38.5445 -7.00908 -5.04878 35.5059 42.299 40.6753 -13.8599 TIMING: 918800 CPU: 2737.72, 0.00301041/step Wall: 2737.72, 0.00301041/step, 3.4128 hours remaining, 208.570312 MB of memory in use. ENERGY: 918800 733.5396 2149.2697 1909.8101 110.2842 -206607.7208 18218.7384 0.0000 0.0000 34271.6625 -149214.4163 299.3030 -183486.0788 -149122.9035 300.3997 186.4320 216.3491 557254.8504 14.2791 14.2108 PRESSURE: 919000 -42.6435 197.544 -128.22 197.544 106.853 63.9234 -128.221 63.9215 -80.6084 GPRESSURE: 919000 22.8905 208.86 -133.899 158.567 94.2191 -9.91827 -90.129 40.4169 -37.3663 PRESSAVG: 919000 -16.1703 4.4716 5.70767 4.47157 17.1978 57.5975 5.70765 57.5976 -21.7557 GPRESSAVG: 919000 -17.4662 2.57528 6.70469 4.03131 18.7547 55.7033 3.13955 58.1432 -22.2041 TIMING: 919000 CPU: 2738.31, 0.00295937/step Wall: 2738.31, 0.00295937/step, 3.35478 hours remaining, 208.570312 MB of memory in use. ENERGY: 919000 699.1421 2102.9800 1960.0020 107.4862 -205956.9535 17589.6581 0.0000 0.0000 34346.9605 -149150.7247 299.9605 -183497.6852 -149062.2533 299.3459 -5.4662 26.5811 557276.3976 -6.9094 -6.9719 PRESSURE: 919200 51.6779 -141.381 161.995 -141.381 245.386 -207.784 161.995 -207.785 266.505 GPRESSURE: 919200 63.2361 -123.698 222.553 -189.03 251.7 -102.428 118.594 -246.266 358.014 PRESSAVG: 919200 -5.3812 45.6534 55.2406 45.6535 33.4999 -14.9187 55.2407 -14.9188 -40.1859 GPRESSAVG: 919200 -5.84552 45.3388 56.7615 46.5618 33.0269 -12.1451 57.2058 -16.0391 -39.4492 TIMING: 919200 CPU: 2738.9, 0.00294628/step Wall: 2738.9, 0.00294628/step, 3.33977 hours remaining, 208.570312 MB of memory in use. ENERGY: 919200 746.0305 2166.0141 1930.1852 121.3271 -206634.4403 18164.9470 0.0000 0.0000 34307.3089 -149198.6276 299.6143 -183505.9365 -149098.8994 299.7637 187.8563 224.3170 556920.5296 -4.0224 -4.0893 PRESSURE: 919400 316.281 69.4715 5.47767 69.4719 -1.41963 -19.3678 5.47604 -19.3657 89.4725 GPRESSURE: 919400 376.164 115.568 -21.5217 -68.57 16.1366 66.0138 62.378 -43.8764 120.145 PRESSAVG: 919400 11.318 -17.6296 -25.7403 -17.6296 66.0808 -13.9356 -25.7402 -13.9357 -55.4064 GPRESSAVG: 919400 10.6323 -16.9126 -24.56 -17.292 65.4902 -12.7744 -26.1608 -13.8831 -54.6244 TIMING: 919400 CPU: 2739.49, 0.0029592/step Wall: 2739.49, 0.0029592/step, 3.35425 hours remaining, 208.570312 MB of memory in use. ENERGY: 919400 738.8499 2127.4910 1907.2364 97.2027 -206387.0130 17917.0115 0.0000 0.0000 34373.1373 -149226.0842 300.1892 -183599.2215 -149128.3298 299.8237 134.7781 170.8154 556807.1566 7.3308 7.1660 PRESSURE: 919600 38.9446 83.0461 -73.5453 83.0455 -173.752 -30.6206 -73.5446 -30.6215 -90.5948 GPRESSURE: 919600 61.2183 50.1126 -83.097 119.624 -102.663 51.0568 -43.8809 -66.4057 -78.1892 PRESSAVG: 919600 49.5606 -11.6516 -47.0217 -11.6516 -20.5996 7.83 -47.0216 7.83013 -10.2313 GPRESSAVG: 919600 50.3626 -11.5784 -47.7911 -10.0779 -19.8245 5.23998 -45.6636 8.37354 -11.1484 TIMING: 919600 CPU: 2740.09, 0.00299871/step Wall: 2740.09, 0.00299871/step, 3.39888 hours remaining, 208.570312 MB of memory in use. ENERGY: 919600 747.7601 2128.8237 1932.7218 110.6465 -206015.6111 17632.7532 0.0000 0.0000 34368.5667 -149094.3390 300.1492 -183462.9058 -148990.5324 299.2830 -75.1340 -39.8780 556946.4471 6.2432 6.4632 PRESSURE: 919800 -181.914 -36.5967 -73.4272 -36.5954 -133.715 10.0744 -73.4276 10.0737 -52.4725 GPRESSURE: 919800 -214.981 -5.91845 -33.1771 -102.855 -118.085 7.26557 -145.671 84.8767 58.829 PRESSAVG: 919800 66.0253 -1.99885 -17.4912 -1.99889 -4.51418 -18.1104 -17.4912 -18.1104 -30.1468 GPRESSAVG: 919800 65.986 -0.354079 -17.2334 -3.68519 -5.84359 -16.6298 -18.9903 -19.0184 -28.7514 TIMING: 919800 CPU: 2740.69, 0.00300737/step Wall: 2740.69, 0.00300737/step, 3.40852 hours remaining, 208.570312 MB of memory in use. ENERGY: 919800 746.6978 2195.3378 1923.5291 124.4537 -205681.4289 17450.6410 0.0000 0.0000 34102.2570 -149138.5126 297.8235 -183240.7696 -149047.1160 299.3493 -122.7006 -91.4125 557061.1620 10.4547 10.4637 PRESSURE: 920000 162.751 54.267 -49.6526 54.2658 -197.829 -76.861 -49.6535 -76.8601 121.438 GPRESSURE: 920000 216.878 17.5746 -52.1681 24.9383 -206.371 -66.5477 -24.5792 -171.637 179.318 PRESSAVG: 920000 -10.1447 -12.5097 -8.02452 -12.5097 5.1247 3.82401 -8.02458 3.8241 8.40124 GPRESSAVG: 920000 -9.74536 -13.8084 -9.9192 -12.4245 5.71478 4.64693 -6.91702 2.33775 7.36457 TIMING: 920000 CPU: 2741.29, 0.00297182/step Wall: 2741.29, 0.00297182/step, 3.36807 hours remaining, 208.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 920000 776.5854 2135.9945 1925.3751 111.5209 -206320.3906 17812.8319 0.0000 0.0000 34552.6140 -149005.4687 301.7566 -183558.0828 -148910.7477 299.5892 28.7865 63.2751 555892.6832 1.1271 1.1113 PRESSURE: 920200 114.103 28.3382 74.4398 28.3376 -85.879 206.713 74.4397 206.715 11.0909 GPRESSURE: 920200 180.286 108.05 12.4824 -13.6441 -49.2626 120.204 50.7275 168.517 9.30189 PRESSAVG: 920200 -2.66683 44.3608 2.44379 44.3607 -79.3599 -8.68902 2.44375 -8.68896 57.2305 GPRESSAVG: 920200 -2.82975 43.4811 4.04576 43.3084 -77.5111 -8.1349 1.96798 -7.26718 55.5811 TIMING: 920200 CPU: 2741.88, 0.00296909/step Wall: 2741.88, 0.00296909/step, 3.36481 hours remaining, 208.570312 MB of memory in use. ENERGY: 920200 762.5319 2143.7926 1903.7039 123.5613 -206460.4022 17897.2067 0.0000 0.0000 34542.1953 -149087.4105 301.6656 -183629.6058 -148986.1776 300.2417 13.1048 46.7750 556351.9046 -8.2654 -8.2533 LDB: ============= START OF LOAD BALANCING ============== 2745.43 LDB: ============== END OF LOAD BALANCING =============== 2745.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2745.43 LDB: ============= START OF LOAD BALANCING ============== 2745.73 LDB: Largest compute 4773 load 0.027559 is 23.3% of average load 0.118119 LDB: Average compute 0.001729 is 1.5% of average load 0.118119 LDB: TIME 2745.73 LOAD: AVG 0.118119 MAX 0.204522 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 2745.73 LOAD: AVG 0.118119 MAX 0.204522 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: TIME 2745.73 LOAD: AVG 0.118119 MAX 0.204522 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2745.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2745.74 PRESSURE: 920400 -123.189 114.349 83.0988 114.351 -96.0778 -23.4447 83.1003 -23.4432 -174.778 GPRESSURE: 920400 -81.6823 78.2018 169.728 117.359 -78.33 26.0497 6.05822 -14.7095 -138.574 PRESSAVG: 920400 29.3972 -6.94658 -52.4438 -6.94664 -18.7729 -11.9505 -52.4438 -11.9505 25.7122 GPRESSAVG: 920400 29.1873 -5.9583 -52.1264 -5.84211 -20.6053 -13.3516 -53.559 -11.4859 28.0165 TIMING: 920400 CPU: 2742.49, 0.00303874/step Wall: 2742.49, 0.00303874/step, 3.44357 hours remaining, 207.992188 MB of memory in use. ENERGY: 920400 754.7415 2097.3810 1917.8703 121.5775 -205771.8706 17598.2426 0.0000 0.0000 34142.7372 -149139.3205 298.1770 -183282.0577 -149041.6476 299.7428 -131.3484 -99.5289 558653.2289 12.1122 12.1995 PRESSURE: 920600 195.534 20.4489 85.8098 20.4477 21.2236 256.178 85.8106 256.177 112.411 GPRESSURE: 920600 185.297 118.224 99.4501 -91.3007 36.5708 274.109 72.6723 266.649 215.158 PRESSAVG: 920600 3.17226 15.1435 20.1329 15.1435 -22.1338 4.10016 20.133 4.10016 -11.7586 GPRESSAVG: 920600 3.27036 13.6967 19.9352 13.7508 -21.8805 3.30026 19.4722 4.1774 -11.6605 TIMING: 920600 CPU: 2743.09, 0.00297908/step Wall: 2743.09, 0.00297908/step, 3.3758 hours remaining, 208.191406 MB of memory in use. ENERGY: 920600 753.9855 2120.6285 1938.9022 100.6944 -206219.8393 18026.9108 0.0000 0.0000 34326.6342 -148952.0837 299.7830 -183278.7179 -148864.2302 299.5516 109.7227 145.6754 557353.2325 -10.2400 -10.0902 PRESSURE: 920800 -162.735 -25.5257 -151.842 -25.5257 -86.6461 -164.978 -151.842 -164.979 -38.4902 GPRESSURE: 920800 -150.851 -23.9439 -23.6078 10.3106 -40.6527 -166.987 -202.922 -150.02 6.6695 PRESSAVG: 920800 -17.156 51.9234 -27.2326 51.9234 -61.1383 -30.9115 -27.2325 -30.9116 60.8494 GPRESSAVG: 920800 -16.6749 52.4321 -25.1854 52.1212 -60.8373 -29.2349 -24.9244 -32.4403 60.3746 TIMING: 920800 CPU: 2743.68, 0.00298583/step Wall: 2743.68, 0.00298583/step, 3.38328 hours remaining, 208.191406 MB of memory in use. ENERGY: 920800 738.6102 2136.4474 1919.5550 110.7208 -205996.3552 17680.6287 0.0000 0.0000 34439.4255 -148970.9676 300.7681 -183410.3931 -148872.4075 299.7204 -95.9571 -61.6115 557837.2301 -5.8150 -5.7125 PRESSURE: 921000 98.5574 157.352 47.6995 157.351 261.802 -32.2033 47.6987 -32.203 47.6789 GPRESSURE: 921000 160.723 85.1933 59.204 293.621 303.323 -50.9054 109.076 -12.6188 33.3051 PRESSAVG: 921000 -37.7779 29.6432 -27.8422 29.6432 -18.9957 42.2092 -27.8423 42.2092 44.5688 GPRESSAVG: 921000 -38.2958 28.6956 -29.7885 32.0099 -17.9209 40.9519 -29.576 42.1166 44.0994 TIMING: 921000 CPU: 2744.28, 0.00297248/step Wall: 2744.28, 0.00297248/step, 3.36798 hours remaining, 208.191406 MB of memory in use. ENERGY: 921000 782.1559 2120.9178 1966.4740 111.4284 -206209.8065 17911.2492 0.0000 0.0000 34360.2368 -148957.3444 300.0765 -183317.5812 -148863.7067 299.9808 136.0129 165.7835 558457.4987 -4.0683 -4.0391 PRESSURE: 921200 15.5056 -31.1644 -210.995 -31.1644 189.877 -184.611 -210.994 -184.611 -70.4888 GPRESSURE: 921200 30.0648 -30.5701 -184.887 2.20876 222.674 -128.75 -209.854 -159.51 -15.2349 PRESSAVG: 921200 -7.48337 22.9146 -46.7951 22.9146 3.95912 1.78966 -46.7951 1.78953 -33.984 GPRESSAVG: 921200 -7.62639 25.1244 -47.5854 21.74 3.7506 1.5213 -45.6602 3.05849 -33.2655 TIMING: 921200 CPU: 2744.87, 0.00295031/step Wall: 2744.87, 0.00295031/step, 3.3427 hours remaining, 208.191406 MB of memory in use. ENERGY: 921200 767.1491 2175.4100 1928.4414 116.3240 -206393.7317 17992.8231 0.0000 0.0000 34412.2748 -149001.3094 300.5310 -183413.5842 -148902.0826 300.1387 44.9648 79.1680 558140.6987 -12.5028 -12.3804 PRESSURE: 921400 -131.78 -81.2592 47.7309 -81.2592 178.278 76.2818 47.7298 76.2825 230.576 GPRESSURE: 921400 -77.4735 -42.4124 77.4238 -85.3229 233.278 59.0199 86.3903 15.7357 227.268 PRESSAVG: 921400 -5.14601 70.3252 0.16818 70.3252 3.84133 13.9909 0.168178 13.9909 51.9987 GPRESSAVG: 921400 -4.94722 68.2066 1.30619 69.3158 4.17601 12.1822 -0.14894 14.0679 51.6736 TIMING: 921400 CPU: 2745.46, 0.00298661/step Wall: 2745.46, 0.00298662/step, 3.38367 hours remaining, 208.191406 MB of memory in use. ENERGY: 921400 740.3544 2097.3286 1956.7469 113.5588 -206103.1834 17878.3930 0.0000 0.0000 34273.6121 -149043.1896 299.3200 -183316.8017 -148948.2981 300.2142 92.3579 127.6908 557759.8887 16.8980 16.9674 PRESSURE: 921600 -288.978 -149.897 -69.8423 -149.897 -184.464 -25.7683 -69.8431 -25.7694 -68.8776 GPRESSURE: 921600 -236.864 -205.774 -57.8245 -85.5871 -200.314 -94.7295 -76.3848 -18.3872 -1.02259 PRESSAVG: 921600 18.2719 -1.08732 -23.4239 -1.08739 -48.5807 -6.96432 -23.4238 -6.96425 59.3579 GPRESSAVG: 921600 17.812 2.04488 -22.7075 -0.420602 -48.3735 -4.10461 -23.5659 -8.48773 59.4981 TIMING: 921600 CPU: 2746.06, 0.00297241/step Wall: 2746.06, 0.00297241/step, 3.36741 hours remaining, 208.191406 MB of memory in use. ENERGY: 921600 772.8147 2088.0995 1915.8740 121.0745 -205684.1149 17541.6083 0.0000 0.0000 34073.3791 -149171.2649 297.5713 -183244.6439 -149079.3798 299.4524 -180.7733 -146.0671 557847.2891 9.6830 9.6456 PRESSURE: 921800 4.38371 -146.136 -16.6287 -146.136 -74.472 -14.8712 -16.6281 -14.8722 -279.131 GPRESSURE: 921800 87.0099 -200.29 44.7275 -82.5962 -18.2094 55.555 -44.0949 16.915 -321.761 PRESSAVG: 921800 27.5615 3.6943 6.18202 3.69431 -71.8361 -26.516 6.18209 -26.5159 20.6723 GPRESSAVG: 921800 26.6566 -0.120251 4.68011 4.54492 -72.4298 -28.1332 6.51494 -25.1173 21.5731 TIMING: 921800 CPU: 2746.65, 0.00293929/step Wall: 2746.65, 0.00293929/step, 3.32972 hours remaining, 208.191406 MB of memory in use. ENERGY: 921800 734.2717 2090.7746 1929.4055 110.4802 -205621.2601 17493.4492 0.0000 0.0000 34110.2511 -149152.6276 297.8933 -183262.8788 -149051.1945 298.3170 -116.4065 -84.3202 558442.0348 -7.8675 -8.0667 PRESSURE: 922000 25.9042 -33.795 -225.357 -33.7959 -189.403 -2.39989 -225.358 -2.39868 -62.676 GPRESSURE: 922000 87.0136 -133.38 -291.958 -47.9876 -172.625 107.352 -115.975 -39.2993 -60.9354 PRESSAVG: 922000 -29.493 -54.7415 -17.273 -54.7414 -1.35148 49.4163 -17.273 49.4162 15.2636 GPRESSAVG: 922000 -28.1111 -54.1327 -17.6009 -55.7179 -0.812191 50.3804 -17.4169 50.6615 14.4045 TIMING: 922000 CPU: 2747.24, 0.00298317/step Wall: 2747.24, 0.00298317/step, 3.37926 hours remaining, 208.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 922000 712.2823 2076.2861 1949.2802 108.8812 -205910.0237 17662.7199 0.0000 0.0000 34276.0860 -149124.4881 299.3416 -183400.5741 -149023.5044 299.1452 -75.3917 -48.8491 556879.2796 -5.1936 -4.8396 PRESSURE: 922200 -112.873 24.18 -129.06 24.1811 -117.896 23.0691 -129.061 23.0696 -72.0099 GPRESSURE: 922200 -85.2363 19.342 -122.539 106.817 -91.8996 57.3236 -11.8633 32.1184 -28.2291 PRESSAVG: 922200 30.1697 -35.0385 -51.2076 -35.0385 -33.6366 61.0697 -51.2075 61.0697 -16.9232 GPRESSAVG: 922200 32.0576 -33.0189 -52.1853 -35.3461 -35.3886 60.4498 -51.8311 59.7821 -16.7971 TIMING: 922200 CPU: 2747.84, 0.0029802/step Wall: 2747.84, 0.0029802/step, 3.37574 hours remaining, 208.191406 MB of memory in use. ENERGY: 922200 757.3728 2061.1485 1938.7261 107.5976 -205467.7305 17442.5193 0.0000 0.0000 34173.5834 -148986.7828 298.4464 -183160.3662 -148887.3999 300.0095 -100.9262 -68.4550 557555.7048 -6.7967 -6.7094 PRESSURE: 922400 -16.1575 -106.943 -109.466 -106.942 272.145 170.463 -109.467 170.462 168.167 GPRESSURE: 922400 5.02138 -131.869 -173.01 -72.1153 345.224 159.791 -72.1679 85.8063 170.078 PRESSAVG: 922400 -0.937705 -51.9539 -70.0659 -51.9539 27.0191 27.2658 -70.066 27.2657 -5.28958 GPRESSAVG: 922400 -2.26 -54.9612 -66.6394 -47.8907 28.5748 26.352 -70.4054 27.8829 -5.44852 TIMING: 922400 CPU: 2748.44, 0.0029952/step Wall: 2748.44, 0.0029952/step, 3.39257 hours remaining, 208.191406 MB of memory in use. ENERGY: 922400 743.5285 2076.3274 1943.6207 103.1044 -206495.5376 18151.5324 0.0000 0.0000 34456.4983 -149020.9260 300.9172 -183477.4244 -148920.1774 299.7153 141.3850 173.4412 557774.5290 6.9306 6.9554 PRESSURE: 922600 103.227 144.932 -132.15 144.934 180.385 72.9348 -132.15 72.9358 -403.224 GPRESSURE: 922600 163.299 185.368 -86.3563 111.186 165.53 -19.8611 -26.0654 74.757 -353.563 PRESSAVG: 922600 -30.6812 22.3265 16.4501 22.3265 51.6525 34.0716 16.4502 34.0717 -28.956 GPRESSAVG: 922600 -31.7881 24.3851 13.2493 19.1293 52.1375 34.1043 18.5306 34.1742 -28.612 TIMING: 922600 CPU: 2749.03, 0.00297187/step Wall: 2749.03, 0.00297187/step, 3.36597 hours remaining, 208.191406 MB of memory in use. ENERGY: 922600 720.0168 2086.1274 1949.8573 96.1663 -205987.2583 17706.7773 0.0000 0.0000 34455.2464 -148973.0667 300.9062 -183428.3131 -148870.7187 300.3734 -39.8709 -8.2445 557140.6447 -2.6616 -2.7542 PRESSURE: 922800 -31.6904 -112.516 -24.2709 -112.515 -134.501 -71.1653 -24.2708 -71.1647 68.3408 GPRESSURE: 922800 -4.63296 -147.952 -80.2255 -143.654 -113.239 -52.305 -30.2827 -25.9112 116.888 PRESSAVG: 922800 31.869 -2.99991 -38.6041 -2.99991 17.193 18.1524 -38.604 18.1523 -27.4398 GPRESSAVG: 922800 32.3239 -4.77692 -38.4665 -3.15053 16.0893 20.2594 -38.7213 17.4718 -27.2726 TIMING: 922800 CPU: 2749.62, 0.00296091/step Wall: 2749.62, 0.00296091/step, 3.35339 hours remaining, 208.191406 MB of memory in use. ENERGY: 922800 756.4371 2191.1131 1922.5312 112.7694 -205974.0243 17708.2683 0.0000 0.0000 34558.8379 -148724.0673 301.8109 -183282.9052 -148624.3894 301.3167 -32.6169 -0.3279 556581.4798 7.2074 7.0469 PRESSURE: 923000 143.833 -42.0889 -197.387 -42.0886 -1.22611 121.128 -197.387 121.128 -130.464 GPRESSURE: 923000 131.761 -3.14816 -131.366 -9.87886 42.6704 69.7539 -245.336 125.153 -71.5269 PRESSAVG: 923000 -30.9505 -7.51169 -3.65812 -7.51173 3.97469 43.9119 -3.65801 43.912 4.80621 GPRESSAVG: 923000 -31.2427 -7.13285 -2.23332 -7.64606 4.79605 45.0389 -6.29301 42.6629 4.57156 TIMING: 923000 CPU: 2750.21, 0.00294869/step Wall: 2750.21, 0.00294869/step, 3.3394 hours remaining, 208.191406 MB of memory in use. ENERGY: 923000 769.2069 2115.1570 1936.3964 95.6050 -205970.4771 17893.8069 0.0000 0.0000 34261.1737 -148899.1312 299.2114 -183160.3048 -148796.2034 300.8234 4.0476 34.3015 558181.9589 -7.3899 -7.2917 PRESSURE: 923200 -231.136 -63.7505 -68.7456 -63.7516 -82.9275 4.32993 -68.7458 4.32923 -187.023 GPRESSURE: 923200 -206.928 -34.7215 -18.8355 -63.4491 -65.4088 -22.4686 -98.5819 23.2512 -133.017 PRESSAVG: 923200 18.4577 6.77074 -60.8039 6.77072 10.3055 9.77729 -60.8039 9.77735 -5.19586 GPRESSAVG: 923200 19.993 7.86542 -59.6867 6.73348 9.27612 6.4063 -59.2252 11.207 -5.36243 TIMING: 923200 CPU: 2750.8, 0.00293997/step Wall: 2750.8, 0.00293997/step, 3.32935 hours remaining, 208.191406 MB of memory in use. ENERGY: 923200 762.1897 2136.0819 1961.5000 124.6711 -205973.8832 17739.2482 0.0000 0.0000 34370.3121 -148879.8802 300.1645 -183250.1922 -148780.3320 300.3440 -167.0288 -135.1178 556864.7657 7.8558 7.9689 PRESSURE: 923400 -116.976 -99.6064 65.3154 -99.6075 79.6496 30.7228 65.3153 30.7224 -86.2494 GPRESSURE: 923400 -92.4891 -92.2709 50.3102 -55.8978 94.0183 49.4011 62.7427 58.2437 -23.3663 PRESSAVG: 923400 -13.5114 -29.7166 -16.1467 -29.7166 35.3516 -59.4569 -16.1467 -59.4569 -17.6436 GPRESSAVG: 923400 -13.9052 -29.3847 -17.1774 -29.7193 35.2879 -58.4559 -18.1751 -59.7333 -17.1382 TIMING: 923400 CPU: 2751.4, 0.00296495/step Wall: 2751.4, 0.00296495/step, 3.35747 hours remaining, 208.191406 MB of memory in use. ENERGY: 923400 756.2133 2132.9682 1969.7000 120.0189 -206113.5362 17696.3289 0.0000 0.0000 34430.9448 -149007.3621 300.6940 -183438.3069 -148909.2432 300.5126 -41.1918 -7.2791 558147.8209 1.3988 1.4148 PRESSURE: 923600 -447.537 -111.283 -107.806 -111.284 -426.271 203.533 -107.805 203.532 -111.584 GPRESSURE: 923600 -452.65 -89.8401 -121.34 -45.7439 -403.88 300.729 -72.8047 183.387 -30.3388 PRESSAVG: 923600 50.7091 -9.03276 -88.3771 -9.03276 -28.2871 17.7253 -88.3771 17.7254 14.9647 GPRESSAVG: 923600 50.185 -8.7076 -89.2428 -10.7781 -27.1414 17.1103 -85.3562 18.4354 14.1676 TIMING: 923600 CPU: 2751.98, 0.00294556/step Wall: 2751.98, 0.00294556/step, 3.33536 hours remaining, 208.191406 MB of memory in use. ENERGY: 923600 788.8093 2122.1053 1954.3796 109.2532 -205755.9963 17496.5143 0.0000 0.0000 34244.9047 -149040.0298 299.0693 -183284.9345 -148938.5904 299.9298 -328.4637 -295.6229 559906.7931 12.4622 12.4037 PRESSURE: 923800 -253.54 67.1614 -122.298 67.1607 -273.86 19.4198 -122.299 19.4187 -223.028 GPRESSURE: 923800 -221.098 16.5722 -227.857 86.8632 -225.864 3.23504 -109.051 -54.5672 -205.138 PRESSAVG: 923800 -4.09725 -11.72 -39.8011 -11.72 -76.0545 0.63554 -39.8011 0.635575 31.561 GPRESSAVG: 923800 -2.97684 -14.1467 -40.7478 -9.10955 -77.4966 -0.907863 -39.681 1.66078 31.8468 TIMING: 923800 CPU: 2752.58, 0.00295226/step Wall: 2752.58, 0.00295226/step, 3.34278 hours remaining, 208.191406 MB of memory in use. ENERGY: 923800 767.0687 2149.5249 1934.1254 111.7309 -205706.1798 17568.1310 0.0000 0.0000 34053.8590 -149121.7398 297.4008 -183175.5988 -149025.3359 299.6247 -250.1428 -217.3665 559827.8469 -16.1969 -16.2089 PRESSURE: 924000 -92.4449 9.64697 15.2273 9.64661 -174.314 -100.416 15.2272 -100.415 -132.233 GPRESSURE: 924000 -29.0347 -59.8706 -12.0484 70.4494 -206.676 -63.8619 0.352773 -33.3673 -56.0425 PRESSAVG: 924000 4.63109 4.30702 -13.2449 4.30702 -6.46623 20.2016 -13.2449 20.2016 -34.6777 GPRESSAVG: 924000 4.61349 2.36793 -10.8908 3.74996 -5.7295 20.9824 -15.4138 20.4932 -35.0168 TIMING: 924000 CPU: 2753.17, 0.00295213/step Wall: 2753.17, 0.00295213/step, 3.34247 hours remaining, 208.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 924000 729.6116 2107.7243 1937.1409 111.3691 -205400.9450 17488.5772 0.0000 0.0000 34170.4311 -148856.0908 298.4189 -183026.5219 -148759.6356 300.0061 -132.9972 -97.2511 559145.7986 -12.1709 -12.0443 PRESSURE: 924200 28.1832 -2.92851 8.10129 -2.93009 -76.3868 -151.909 8.10163 -151.909 -15.5181 GPRESSURE: 924200 5.88171 -12.0986 68.8672 39.4777 37.2919 -95.4794 32.7158 -128.046 5.25071 PRESSAVG: 924200 25.812 -9.93454 -12.4747 -9.93459 -8.89902 33.6842 -12.4748 33.6841 -20.0312 GPRESSAVG: 924200 25.188 -9.61527 -12.869 -10.0512 -10.3331 36.3675 -11.8078 32.6927 -18.8317 TIMING: 924200 CPU: 2753.75, 0.00294451/step Wall: 2753.75, 0.00294451/step, 3.33368 hours remaining, 208.191406 MB of memory in use. ENERGY: 924200 735.8673 2154.1865 1926.6222 119.0925 -205866.8504 17717.4600 0.0000 0.0000 34404.2458 -148809.3761 300.4608 -183213.6219 -148711.9001 300.6805 -21.2405 16.1414 558164.2832 -1.0394 -1.3256 LDB: ============= START OF LOAD BALANCING ============== 2757.3 LDB: ============== END OF LOAD BALANCING =============== 2757.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2757.3 LDB: ============= START OF LOAD BALANCING ============== 2757.6 LDB: Largest compute 4773 load 0.028398 is 24.0% of average load 0.118118 LDB: Average compute 0.001736 is 1.5% of average load 0.118118 LDB: TIME 2757.6 LOAD: AVG 0.118118 MAX 0.209022 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.508 MB LDB: TIME 2757.6 LOAD: AVG 0.118118 MAX 0.209022 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.707 MB LDB: TIME 2757.6 LOAD: AVG 0.118118 MAX 0.209022 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.707 MB LDB: ============== END OF LOAD BALANCING =============== 2757.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2757.61 PRESSURE: 924400 110.704 224.266 -3.20748 224.265 210.562 -91.2844 -3.20766 -91.2828 17.2993 GPRESSURE: 924400 106.867 262.663 24.0791 194.789 241.381 -89.4977 -18.9879 -54.7441 93.0045 PRESSAVG: 924400 9.8636 9.60774 52.3885 9.60784 -10.144 5.44317 52.3884 5.44328 -11.8269 GPRESSAVG: 924400 9.71594 12.0278 50.5674 7.18986 -8.41779 5.406 52.9389 3.39112 -13.3497 TIMING: 924400 CPU: 2754.36, 0.00301705/step Wall: 2754.36, 0.00301705/step, 3.41563 hours remaining, 207.277344 MB of memory in use. ENERGY: 924400 748.7203 2076.4354 1928.7071 116.9977 -206370.5864 18059.0427 0.0000 0.0000 34396.1613 -149044.5220 300.3902 -183440.6833 -148946.6508 300.6291 112.8552 147.0841 557609.2213 -4.0358 -4.0172 PRESSURE: 924600 334.919 7.73601 82.1632 7.7368 -261.744 27.5209 82.1618 27.5213 -78.9913 GPRESSURE: 924600 355.111 50.2574 -15.0995 -17.0078 -230.071 88.738 153.809 51.8016 -38.4304 PRESSAVG: 924600 -6.9325 -2.5574 13.8873 -2.55744 -6.72115 -8.79423 13.8873 -8.79423 0.200889 GPRESSAVG: 924600 -7.53623 -2.96532 13.5002 -1.57532 -7.84207 -10.033 13.5609 -6.85669 1.52273 TIMING: 924600 CPU: 2754.95, 0.00298268/step Wall: 2754.95, 0.00298268/step, 3.37656 hours remaining, 207.476562 MB of memory in use. ENERGY: 924600 715.2476 2062.5631 1931.0401 122.4553 -206209.7892 17846.4928 0.0000 0.0000 34443.0176 -149088.9729 300.7994 -183531.9905 -148994.4196 299.6559 -1.9388 28.8700 557367.5884 -4.4843 -4.6185 PRESSURE: 924800 38.0049 208.164 6.49805 208.163 138.787 -135.616 6.49828 -135.616 124.621 GPRESSURE: 924800 109.116 217.718 -88.0087 279.008 128.368 -125.14 68.972 -166.582 158.932 PRESSAVG: 924800 91.943 26.3781 10.0579 26.3781 -46.6126 -5.34575 10.0579 -5.3458 -16.8192 GPRESSAVG: 924800 94.7741 26.5407 11.1107 27.4754 -46.8591 -6.83943 10.3122 -4.28748 -18.7883 TIMING: 924800 CPU: 2755.55, 0.00298363/step Wall: 2755.55, 0.00298363/step, 3.37747 hours remaining, 207.476562 MB of memory in use. ENERGY: 924800 740.9194 2021.4565 1929.6196 122.2135 -206340.3556 18024.6625 0.0000 0.0000 34315.1485 -149186.3357 299.6827 -183501.4842 -149084.8440 299.7177 100.4709 132.1387 559064.6803 9.5037 9.7089 PRESSURE: 925000 -75.9147 18.9615 -41.6475 18.9604 246.88 24.3567 -41.6494 24.3587 33.6256 GPRESSURE: 925000 -76.3599 54.7942 14.0114 30.1778 267.738 74.2816 19.6797 -45.8685 95.956 PRESSAVG: 925000 4.77706 11.5373 41.0569 11.5373 26.2367 13.0775 41.057 13.0775 -64.139 GPRESSAVG: 925000 3.63589 11.8031 42.949 11.3032 26.9886 16.3806 40.309 10.9225 -63.4066 TIMING: 925000 CPU: 2756.15, 0.00299851/step Wall: 2756.15, 0.00299851/step, 3.39415 hours remaining, 207.476562 MB of memory in use. ENERGY: 925000 739.6954 2080.3299 1923.5160 119.7642 -206355.0117 17887.7404 0.0000 0.0000 34229.7090 -149374.2570 298.9366 -183603.9660 -149283.4909 298.4594 68.1969 95.7782 556825.6710 -11.0417 -10.9274 PRESSURE: 925200 -332.196 -63.9161 4.45166 -63.9153 -24.2854 168.115 4.45128 168.115 -171.043 GPRESSURE: 925200 -252.015 -70.494 -60.7544 20.097 -32.7761 89.6843 32.4303 192.408 -147.65 PRESSAVG: 925200 -38.6677 -9.03968 52.5825 -9.03964 26.7791 25.7468 52.5825 25.7467 -47.8702 GPRESSAVG: 925200 -38.0091 -9.82023 48.2901 -8.8232 26.6223 24.0714 52.794 26.8232 -48.4482 TIMING: 925200 CPU: 2756.75, 0.00299018/step Wall: 2756.75, 0.00299018/step, 3.38455 hours remaining, 207.476562 MB of memory in use. ENERGY: 925200 742.6404 2110.8610 1919.2750 122.3598 -206240.1431 17733.7532 0.0000 0.0000 34181.8501 -149429.4035 298.5186 -183611.2536 -149332.9557 298.1109 -175.8416 -144.1469 558091.7545 -19.9196 -19.9450 PRESSURE: 925400 -392.918 -80.7481 -33.1517 -80.7485 -10.3538 63.906 -33.1517 63.9087 130.46 GPRESSURE: 925400 -416.359 -66.4678 9.73417 -122.887 36.0816 62.074 23.866 -23.6002 215.651 PRESSAVG: 925400 -42.8867 -4.5191 -13.2205 -4.51915 -48.4764 12.8475 -13.2205 12.8476 78.29 GPRESSAVG: 925400 -43.9856 -5.31324 -9.83133 -3.60857 -47.371 11.4618 -15.2181 13.9217 78.8808 TIMING: 925400 CPU: 2757.34, 0.00296039/step Wall: 2757.34, 0.00296039/step, 3.35067 hours remaining, 207.476562 MB of memory in use. ENERGY: 925400 759.8244 2056.9169 1892.4259 125.7807 -206021.8622 17576.1643 0.0000 0.0000 34263.6322 -149347.1178 299.2328 -183610.7499 -149251.0277 298.8720 -90.9374 -54.8754 558193.8871 -4.3577 -4.1586 PRESSURE: 925600 -307.852 -38.8109 24.5155 -38.809 48.9278 132.168 24.5149 132.168 58.6532 GPRESSURE: 925600 -242.227 -45.7574 72.859 -133.624 85.7696 58.5263 -12.3036 126.501 57.0662 PRESSAVG: 925600 -65.0391 -31.3054 -12.2535 -31.3055 59.7519 60.2426 -12.2535 60.2427 74.2348 GPRESSAVG: 925600 -64.2685 -29.3312 -14.6249 -33.7204 58.9322 61.0764 -10.0236 58.6356 74.2729 TIMING: 925600 CPU: 2757.93, 0.00295691/step Wall: 2757.93, 0.00295691/step, 3.34656 hours remaining, 207.476562 MB of memory in use. ENERGY: 925600 730.6550 2126.3123 1950.5986 108.1285 -205833.5469 17699.5968 0.0000 0.0000 33930.9435 -149287.3122 296.3274 -183218.2557 -149201.7226 299.0006 -66.7571 -33.1303 558854.9240 22.9825 22.9789 PRESSURE: 925800 -241.883 -197.658 3.17618 -197.657 -116.711 149.362 3.17789 149.361 -208.452 GPRESSURE: 925800 -225.502 -215.467 -1.96628 -189.098 -29.7358 150.081 5.80065 155.244 -192.996 PRESSAVG: 925800 4.89014 15.7653 14.8298 15.7653 29.0602 55.7319 14.8298 55.732 -3.79998 GPRESSAVG: 925800 4.08248 14.9826 17.2341 17.1927 28.8612 56.0932 16.6948 57.0576 -3.29194 TIMING: 925800 CPU: 2758.52, 0.00295801/step Wall: 2758.52, 0.00295801/step, 3.34765 hours remaining, 207.476562 MB of memory in use. ENERGY: 925800 739.1429 2069.6279 1907.3338 105.6651 -205768.2126 17542.0223 0.0000 0.0000 34159.4961 -149244.9246 298.3234 -183404.4206 -149146.7193 298.4658 -189.0154 -149.4110 558157.2815 10.0501 9.8839 PRESSURE: 926000 146.89 -166.873 -12.7156 -166.874 267.832 -44.239 -12.7152 -44.2397 220.16 GPRESSURE: 926000 168.99 -110.652 -1.55657 -223.009 263.015 -148.16 -39.5647 -28.217 295.751 PRESSAVG: 926000 -0.592889 -12.0685 -19.5576 -12.0685 -2.02392 -12.8503 -19.5576 -12.8503 15.5744 GPRESSAVG: 926000 -0.419559 -11.2481 -18.8807 -12.1242 -0.812367 -13.1244 -22.3222 -14.0751 14.5962 TIMING: 926000 CPU: 2759.12, 0.00297498/step Wall: 2759.12, 0.00297498/step, 3.36669 hours remaining, 207.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 926000 716.0661 1999.3484 1916.9771 107.8666 -206243.2077 17958.9616 0.0000 0.0000 34346.0406 -149197.9474 299.9525 -183543.9879 -149101.5483 298.7006 211.6273 242.5854 557516.9693 4.3192 4.4548 PRESSURE: 926200 445.134 -117.223 96.9356 -117.223 284.426 -66.5193 96.9356 -66.5195 174.56 GPRESSURE: 926200 447.95 -103.624 90.5926 -180.174 380.079 -153.336 7.40519 -49.1096 195.563 PRESSAVG: 926200 -27.1805 -29.649 -15.3635 -29.6489 6.22604 -54.1105 -15.3635 -54.1104 -2.95614 GPRESSAVG: 926200 -26.5114 -31.049 -15.8896 -28.8456 6.21567 -53.0231 -14.6733 -55.1186 -3.26059 TIMING: 926200 CPU: 2759.72, 0.00300005/step Wall: 2759.72, 0.00300005/step, 3.39489 hours remaining, 207.476562 MB of memory in use. ENERGY: 926200 729.8135 2034.5729 1920.3832 113.7428 -206364.7046 18239.0645 0.0000 0.0000 34221.2791 -149105.8486 298.8629 -183327.1277 -149009.3361 299.0922 301.3735 341.1972 557294.3425 -7.9702 -7.8521 PRESSURE: 926400 -117.373 -40.3306 -41.1964 -40.3298 -128.918 -103.228 -41.1974 -103.225 108.595 GPRESSURE: 926400 -76.2753 34.6452 -76.7419 -147.934 -103.468 -133.503 -121.752 -10.7823 139.844 PRESSAVG: 926400 -45.8565 5.39669 -9.47783 5.39657 32.5897 7.46845 -9.47785 7.4684 32.0136 GPRESSAVG: 926400 -45.7816 5.65948 -9.52122 4.18845 32.2227 5.13496 -9.28042 9.8928 31.5862 TIMING: 926400 CPU: 2760.31, 0.00294754/step Wall: 2760.31, 0.00294754/step, 3.3353 hours remaining, 207.476562 MB of memory in use. ENERGY: 926400 777.8272 2041.2397 1957.7890 113.2263 -206338.7219 17761.2654 0.0000 0.0000 34437.7182 -149249.6560 300.7532 -183687.3743 -149156.5168 298.9572 -45.8985 -13.2999 555933.6682 6.2489 6.0091 PRESSURE: 926600 -473.218 45.3085 -1.40739 45.309 -169.336 197.196 -1.40784 197.197 -150.073 GPRESSURE: 926600 -456.063 9.70022 -62.068 74.215 -147.663 227.764 76.3173 146.922 -91.1365 PRESSAVG: 926600 -37.7168 -14.3512 6.29791 -14.3513 43.74 7.20461 6.29788 7.2045 8.60131 GPRESSAVG: 926600 -38.1132 -16.8844 5.05305 -12.1389 43.6541 9.51611 6.55526 6.10374 8.79635 TIMING: 926600 CPU: 2760.91, 0.00300296/step Wall: 2760.91, 0.00300296/step, 3.39785 hours remaining, 207.476562 MB of memory in use. ENERGY: 926600 720.4515 2044.6193 1949.0898 113.0718 -205441.2361 17410.3570 0.0000 0.0000 34077.2068 -149126.4400 297.6047 -183203.6468 -149029.2322 298.9834 -264.2088 -231.6208 559417.3480 4.8748 4.7791 PRESSURE: 926800 -122.917 -79.6413 -22.3224 -79.6411 6.81404 134.47 -22.3226 134.471 105.697 GPRESSURE: 926800 -83.7308 -41.6942 -38.3531 -170.893 51.1453 148.33 34.8538 52.1309 118.825 PRESSAVG: 926800 -0.660904 -10.6798 3.70121 -10.6798 8.23962 -6.72753 3.70108 -6.72754 -29.8091 GPRESSAVG: 926800 -0.468246 -7.59485 4.66207 -12.3299 8.4761 -8.46087 4.65434 -5.08683 -29.5572 TIMING: 926800 CPU: 2761.5, 0.00296662/step Wall: 2761.5, 0.00296662/step, 3.35657 hours remaining, 207.476562 MB of memory in use. ENERGY: 926800 764.1590 2067.5480 1953.9683 108.0430 -206258.1121 17811.7618 0.0000 0.0000 34391.1726 -149161.4594 300.3467 -183552.6320 -149066.7271 298.9677 -3.4689 28.7466 557427.9803 -7.4101 -7.1831 PRESSURE: 927000 -265.802 -12.0558 -153.72 -12.0562 -287.096 -35.0851 -153.721 -35.0851 -133.709 GPRESSURE: 927000 -269.853 47.1989 -157.584 -8.6773 -199.867 -47.4398 -81.0226 -22.5315 -117.125 PRESSAVG: 927000 -2.85662 16.3572 6.80158 16.3572 34.2767 -28.6522 6.80165 -28.6522 -35.2216 GPRESSAVG: 927000 -3.28122 12.4168 8.74731 18.4328 34.4044 -25.099 4.44442 -31.1985 -35.0035 TIMING: 927000 CPU: 2762.1, 0.00296554/step Wall: 2762.1, 0.00296554/step, 3.35518 hours remaining, 207.476562 MB of memory in use. ENERGY: 927000 769.2093 2004.8279 1934.0601 112.0288 -205786.2166 17558.4676 0.0000 0.0000 34061.8134 -149345.8094 297.4703 -183407.6229 -149248.3596 298.9349 -228.8690 -195.6151 558301.6338 -1.2672 -1.2934 PRESSURE: 927200 144.217 -169.496 -32.3562 -169.496 302.905 10.2491 -32.3557 10.2496 231.057 GPRESSURE: 927200 208.136 -170.014 -149.323 -152.66 327.208 -62.9344 -12.9301 42.0127 226.695 PRESSAVG: 927200 23.0092 39.8916 9.72087 39.8916 16.0057 15.132 9.72086 15.1319 16.4922 GPRESSAVG: 927200 22.7934 42.272 7.30448 39.0534 16.355 11.1873 11.3113 15.831 16.504 TIMING: 927200 CPU: 2762.69, 0.00296092/step Wall: 2762.69, 0.00296092/step, 3.34979 hours remaining, 207.476562 MB of memory in use. ENERGY: 927200 765.7183 2086.6809 1955.6463 102.0168 -206584.1611 18268.8967 0.0000 0.0000 34001.8639 -149403.3383 296.9467 -183405.2022 -149308.2761 298.3313 226.0597 254.0131 555677.5543 18.5023 18.5508 PRESSURE: 927400 -8.76201 -176.217 -20.984 -176.216 133.43 78.9757 -20.9832 78.976 38.2539 GPRESSURE: 927400 20.1449 -105.944 64.0311 -226.151 210.573 36.6691 -64.8476 27.4081 36.1658 PRESSAVG: 927400 28.5347 16.4486 25.9673 16.4486 35.5017 4.80818 25.9673 4.80813 -6.9092 GPRESSAVG: 927400 28.3682 17.608 27.1478 16.6346 35.6109 6.54672 26.163 5.79331 -6.56973 TIMING: 927400 CPU: 2763.28, 0.00295996/step Wall: 2763.28, 0.00295996/step, 3.34853 hours remaining, 207.476562 MB of memory in use. ENERGY: 927400 749.0818 2045.1485 1938.1095 102.0391 -206154.4047 17928.8858 0.0000 0.0000 34272.0700 -149119.0700 299.3065 -183391.1399 -149026.1282 299.1472 54.3072 88.9614 556851.0162 19.0424 19.1365 PRESSURE: 927600 -57.4118 -8.19506 -16.3849 -8.19375 33.6184 26.584 -16.3853 26.5838 33.4393 GPRESSURE: 927600 -14.7961 -41.499 -63.3834 8.87969 54.8235 79.216 -8.32124 18.8374 55.8918 PRESSAVG: 927600 0.359056 -13.8575 -6.27125 -13.8575 37.0226 -2.62172 -6.27126 -2.62171 -44.0901 GPRESSAVG: 927600 1.21614 -12.2156 -6.70096 -15.2799 37.1166 -3.63563 -7.24501 -1.34977 -44.3445 TIMING: 927600 CPU: 2763.88, 0.00300908/step Wall: 2763.88, 0.00300908/step, 3.40394 hours remaining, 207.476562 MB of memory in use. ENERGY: 927600 724.2343 2117.1433 1934.5191 125.4770 -206061.2249 17728.0110 0.0000 0.0000 34465.9508 -148965.8893 300.9997 -183431.8402 -148873.2920 300.4394 3.2153 31.9731 557405.8030 -2.2361 -2.0039 PRESSURE: 927800 38.0165 -82.9712 -286.327 -82.9706 160.382 -65.248 -286.326 -65.2482 145.436 GPRESSURE: 927800 46.7364 27.3292 -290.737 -117.03 185.016 -75.322 -296.69 -72.1681 205.568 PRESSAVG: 927800 -12.0472 -36.1627 -10.9379 -36.1628 -41.0182 -0.12841 -10.9379 -0.128479 36.0057 GPRESSAVG: 927800 -12.8696 -37.7158 -12.283 -35.0359 -42.1004 -1.06793 -11.6397 0.289482 37.5486 TIMING: 927800 CPU: 2764.48, 0.00297755/step Wall: 2764.48, 0.00297755/step, 3.3681 hours remaining, 207.476562 MB of memory in use. ENERGY: 927800 718.6823 2035.4475 1924.5522 102.8862 -206055.1912 17982.7580 0.0000 0.0000 34404.2987 -148886.5663 300.4613 -183290.8650 -148787.1240 300.3662 114.6116 145.7733 557918.6523 -5.6866 -5.8071 PRESSURE: 928000 -128.573 -11.9167 173.236 -11.9175 90.026 125.583 173.235 125.582 -47.0216 GPRESSURE: 928000 -99.977 -73.1671 158.041 8.08894 142.025 55.2419 145.092 129.665 -25.4883 PRESSAVG: 928000 34.0852 -28.6786 9.08099 -28.6785 -8.55985 20.9816 9.08093 20.9815 -51.6504 GPRESSAVG: 928000 34.5311 -28.6161 9.82926 -30.2186 -8.54407 21.7398 10.3014 19.7328 -52.9058 TIMING: 928000 CPU: 2765.08, 0.00299098/step Wall: 2765.08, 0.00299098/step, 3.38314 hours remaining, 207.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 928000 710.3071 2062.8798 1939.1855 106.4811 -205850.8314 17803.3677 0.0000 0.0000 34307.0388 -148921.5715 299.6119 -183228.6103 -148830.7572 300.0450 -28.5228 5.5200 558310.5548 -8.7083 -8.9729 PRESSURE: 928200 89.9008 87.6475 -153.587 87.6482 -175.439 27.9242 -153.586 27.9229 -146.621 GPRESSURE: 928200 91.3598 40.5455 -166.119 152.81 -151.479 9.5304 -128.668 23.3129 -99.4941 PRESSAVG: 928200 50.4991 -10.478 4.81117 -10.478 15.8884 21.556 4.81126 21.5559 -44.4714 GPRESSAVG: 928200 50.6249 -10.8607 5.61867 -9.37731 16.9795 21.7009 5.53151 21.897 -45.8867 TIMING: 928200 CPU: 2765.68, 0.00301448/step Wall: 2765.68, 0.00301448/step, 3.40954 hours remaining, 207.476562 MB of memory in use. ENERGY: 928200 731.5869 2079.9293 1918.7645 123.7774 -205844.7646 17698.3096 0.0000 0.0000 34397.3904 -148895.0067 300.4010 -183292.3971 -148796.6061 300.5413 -77.3864 -53.2045 558432.1393 7.3053 7.2392 LDB: ============= START OF LOAD BALANCING ============== 2769.23 LDB: ============== END OF LOAD BALANCING =============== 2769.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2769.23 LDB: ============= START OF LOAD BALANCING ============== 2769.53 LDB: Largest compute 4773 load 0.028106 is 23.8% of average load 0.118115 LDB: Average compute 0.001733 is 1.5% of average load 0.118115 LDB: TIME 2769.53 LOAD: AVG 0.118115 MAX 0.209393 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.996 MB LDB: TIME 2769.53 LOAD: AVG 0.118115 MAX 0.209393 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.031 MB LDB: TIME 2769.53 LOAD: AVG 0.118115 MAX 0.209393 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.031 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2769.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2769.54 PRESSURE: 928400 -238.701 34.5199 -132.701 34.52 -184.282 19.6999 -132.702 19.6991 4.28077 GPRESSURE: 928400 -212.119 35.9403 -118.786 14.8504 -110.614 94.3191 -123.677 40.4843 -4.84178 PRESSAVG: 928400 -33.1153 -69.1918 21.9767 -69.1918 20.4675 24.4932 21.9765 24.4931 15.7804 GPRESSAVG: 928400 -32.8155 -69.1835 20.9111 -70.7432 19.9501 25.6266 21.257 24.4961 15.9409 TIMING: 928400 CPU: 2766.29, 0.00303937/step Wall: 2766.29, 0.00303937/step, 3.43752 hours remaining, 206.199219 MB of memory in use. ENERGY: 928400 746.4738 2070.0073 1926.9985 109.2394 -205883.4262 17503.9364 0.0000 0.0000 34405.6520 -149121.1187 300.4731 -183526.7708 -149029.9771 300.4890 -139.5673 -109.1916 557603.3267 1.0442 1.0252 PRESSURE: 928600 -220.468 80.0085 97.6154 80.0085 -201.665 191.053 97.6152 191.053 -391.858 GPRESSURE: 928600 -116.713 146.902 90.6078 44.7091 -238.676 103.747 43.2481 167.036 -369.354 PRESSAVG: 928600 -11.4088 97.7434 -45.0468 97.7434 -13.1436 15.7406 -45.0468 15.7407 46.745 GPRESSAVG: 928600 -12.4393 97.7578 -44.3876 99.3612 -13.3798 13.9984 -45.5713 17.2894 48.1144 TIMING: 928600 CPU: 2766.88, 0.00299481/step Wall: 2766.88, 0.00299481/step, 3.38696 hours remaining, 206.199219 MB of memory in use. ENERGY: 928600 747.1977 2064.8334 1938.0633 121.8173 -205701.2321 17363.7791 0.0000 0.0000 34297.4751 -149168.0662 299.5284 -183465.5413 -149070.2685 300.1740 -271.3301 -241.5810 557838.7358 7.3975 7.4318 PRESSURE: 928800 -75.9205 62.351 -34.208 62.3504 231.341 -139.489 -34.2082 -139.49 10.0021 GPRESSURE: 928800 -44.263 41.2344 -59.4431 123.336 236.479 -56.7201 54.912 -202.954 69.6254 PRESSAVG: 928800 -7.87836 50.0682 3.64764 50.0682 -14.3342 9.08983 3.64772 9.08981 32.1347 GPRESSAVG: 928800 -6.92153 50.2163 2.23348 50.2318 -14.0576 11.7623 3.9927 7.06436 31.3395 TIMING: 928800 CPU: 2767.48, 0.00299698/step Wall: 2767.48, 0.00299698/step, 3.38925 hours remaining, 206.199219 MB of memory in use. ENERGY: 928800 730.4433 2065.7056 1918.8975 130.6424 -206383.6948 17921.8111 0.0000 0.0000 34413.8432 -149202.3516 300.5447 -183616.1948 -149100.0149 299.2134 55.1410 87.2806 556708.6518 3.3074 3.4534 PRESSURE: 929000 -61.6207 145.894 -62.0124 145.894 89.7037 -15.057 -62.0113 -15.0578 35.1949 GPRESSURE: 929000 -32.2354 121.544 60.5378 152.797 114.285 -14.434 -50.5311 -50.8778 79.4994 PRESSAVG: 929000 -48.287 70.3508 -19.6277 70.3509 26.4341 25.8386 -19.6276 25.8385 2.58946 GPRESSAVG: 929000 -48.3522 69.0122 -18.2755 69.2095 25.2574 23.6566 -18.2212 25.6588 3.41283 TIMING: 929000 CPU: 2768.08, 0.00297663/step Wall: 2768.08, 0.00297663/step, 3.36607 hours remaining, 206.199219 MB of memory in use. ENERGY: 929000 713.6620 2067.2729 1929.5603 111.4577 -206003.3509 17646.4897 0.0000 0.0000 34265.9307 -149268.9777 299.2529 -183534.9083 -149172.8637 299.1101 21.0926 53.8498 556491.2806 -6.4212 -6.5606 PRESSURE: 929200 -23.019 -95.8723 122.584 -95.8724 -8.90994 -4.52676 122.585 -4.52696 -190.653 GPRESSURE: 929200 26.3619 -34.3523 93.4076 -142.533 0.122466 35.4266 147.295 -23.3697 -153.675 PRESSAVG: 929200 -4.32672 -51.5888 0.354276 -51.5889 49.9685 8.22198 0.354366 8.22197 19.3438 GPRESSAVG: 929200 -4.97072 -49.4447 1.0154 -50.9086 51.5698 6.74864 -0.297433 10.4071 17.9905 TIMING: 929200 CPU: 2768.68, 0.00297881/step Wall: 2768.68, 0.00297881/step, 3.36838 hours remaining, 206.199219 MB of memory in use. ENERGY: 929200 744.6253 2114.4584 1936.7878 107.4971 -206162.1402 17727.2312 0.0000 0.0000 34348.7234 -149182.8171 299.9759 -183531.5404 -149078.2886 299.5458 -74.1939 -42.3968 558748.5551 21.6619 21.5299 PRESSURE: 929400 87.0481 110.372 63.6389 110.371 122.336 4.93477 63.64 4.93656 191.3 GPRESSURE: 929400 113.03 58.497 9.51174 101.542 230.614 68.8545 8.62085 -49.0676 155.192 PRESSAVG: 929400 -13.7311 38.3478 13.5508 38.348 32.5183 6.75214 13.5508 6.75206 -32.2402 GPRESSAVG: 929400 -14.3006 36.1768 11.4874 38.1225 31.8838 9.70778 11.6769 6.63792 -31.2601 TIMING: 929400 CPU: 2769.27, 0.00298268/step Wall: 2769.27, 0.00298268/step, 3.37258 hours remaining, 206.199219 MB of memory in use. ENERGY: 929400 744.7765 2063.4865 1926.2703 104.0613 -206333.5186 17967.5495 0.0000 0.0000 34388.0988 -149139.2756 300.3198 -183527.3744 -149034.7775 299.0636 133.5612 166.2785 557686.7122 -4.4843 -4.5590 PRESSURE: 929600 -135.041 300.278 -27.5584 300.278 -330.261 150.712 -27.5582 150.712 66.3354 GPRESSURE: 929600 -93.8105 265.24 -13.6939 337.105 -278.923 169.419 11.9787 158.465 69.6452 PRESSAVG: 929600 18.5409 62.0481 44.2636 62.0481 39.1074 -1.1212 44.2636 -1.12119 -10.9633 GPRESSAVG: 929600 19.6558 62.1369 47.0044 61.3426 38.5613 -2.63455 46.5986 -1.80414 -11.5343 TIMING: 929600 CPU: 2769.87, 0.00297225/step Wall: 2769.87, 0.00297225/step, 3.36063 hours remaining, 206.199219 MB of memory in use. ENERGY: 929600 712.5396 2131.9768 1944.1225 119.6222 -205787.9832 17632.5256 0.0000 0.0000 34288.9718 -148958.2247 299.4541 -183247.1965 -148855.8512 299.7543 -132.9888 -101.0294 558951.8225 15.5617 15.5609 PRESSURE: 929800 428.089 -87.6979 -39.2723 -87.6981 199.197 -186.367 -39.2733 -186.367 107.71 GPRESSURE: 929800 429.344 -79.494 10.5411 -188.416 263.961 -221.939 -8.56494 -138.856 132.384 PRESSAVG: 929800 92.3879 -2.19844 36.8511 -2.19847 -65.3097 22.4168 36.8512 22.4169 -46.4694 GPRESSAVG: 929800 92.1519 -3.02538 33.7003 -2.48684 -64.8943 22.6008 36.4775 20.8041 -46.3581 TIMING: 929800 CPU: 2770.46, 0.0029567/step Wall: 2770.46, 0.0029567/step, 3.34288 hours remaining, 206.199219 MB of memory in use. ENERGY: 929800 730.5981 2130.6006 1942.8427 117.5612 -206352.0943 18110.9737 0.0000 0.0000 34430.3043 -148889.2136 300.6884 -183319.5179 -148792.9647 300.4671 244.9985 275.2296 555867.5172 -6.4637 -6.3669 PRESSURE: 930000 -89.9897 49.6762 127.457 49.6779 -8.40088 -48.9937 127.458 -48.9926 -53.6748 GPRESSURE: 930000 -61.9763 76.3012 151.407 105.248 51.0223 -38.8186 105.251 -92.9034 -33.9459 PRESSAVG: 930000 45.9074 -67.1696 37.4055 -67.1697 -17.6934 32.2426 37.4055 32.2425 20.3178 GPRESSAVG: 930000 45.9113 -66.1314 39.9039 -66.2689 -18.056 32.901 37.4454 30.4612 20.5264 TIMING: 930000 CPU: 2771.05, 0.00294771/step Wall: 2771.05, 0.00294771/step, 3.33255 hours remaining, 206.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 930000 706.7311 2044.5164 1913.9983 115.2463 -205688.5962 17613.5113 0.0000 0.0000 34311.5973 -148982.9954 299.6517 -183294.5927 -148885.4804 300.0549 -50.6885 -14.9666 557444.3984 16.1772 16.1272 PRESSURE: 930200 -119.188 -21.1018 17.9252 -21.1014 -136.568 184.25 17.9257 184.25 -92.236 GPRESSURE: 930200 -59.1484 -9.98174 13.4296 54.0654 -127.869 140.75 11.193 159.195 -68.4266 PRESSAVG: 930200 -26.3719 23.588 43.4661 23.588 52.7453 11.6064 43.4661 11.6063 -59.9884 GPRESSAVG: 930200 -25.603 25.0727 42.3831 23.0616 53.2101 10.3276 40.9324 13.3826 -61.025 TIMING: 930200 CPU: 2771.64, 0.00294391/step Wall: 2771.64, 0.00294391/step, 3.32809 hours remaining, 206.199219 MB of memory in use. ENERGY: 930200 720.0922 2031.9437 1910.5911 111.1764 -205857.3297 17618.0893 0.0000 0.0000 34477.3660 -148988.0710 301.0994 -183465.4369 -148890.0014 300.1968 -115.9974 -85.1478 558712.7705 -11.2050 -11.1393 PRESSURE: 930400 248.737 162.62 -47.915 162.619 105.858 82.6052 -47.9147 82.6047 -363.149 GPRESSURE: 930400 277.055 175.946 31.478 235.947 107.902 73.7159 -123.196 -8.00637 -295.981 PRESSAVG: 930400 37.833 -16.5576 34.3847 -16.5575 23.7266 24.0548 34.3848 24.0549 -46.9233 GPRESSAVG: 930400 37.3107 -17.2213 34.2396 -15.7795 22.2584 26.2028 35.7242 22.6534 -44.7334 TIMING: 930400 CPU: 2772.23, 0.00295203/step Wall: 2772.23, 0.00295203/step, 3.3371 hours remaining, 206.199219 MB of memory in use. ENERGY: 930400 738.2213 2077.0196 1944.4562 110.4682 -205944.9337 17989.4355 0.0000 0.0000 34155.5288 -148929.8041 298.2887 -183085.3329 -148840.2723 299.9705 -2.8514 29.6585 557224.8028 4.8788 4.9452 PRESSURE: 930600 -44.8773 30.6365 108.194 30.6368 -239.083 -86.348 108.196 -86.3488 -508.892 GPRESSURE: 930600 -80.1919 91.0206 122.679 -35.0184 -160.505 -36.1425 87.9412 -102.311 -454.911 PRESSAVG: 930600 14.2423 -21.7956 -4.63201 -21.7956 11.7286 -45.5771 -4.63208 -45.5771 -14.2916 GPRESSAVG: 930600 12.7311 -22.1138 -2.50792 -21.4793 13.0468 -45.3622 -5.28473 -45.9261 -14.5222 TIMING: 930600 CPU: 2772.82, 0.00297412/step Wall: 2772.82, 0.00297412/step, 3.36191 hours remaining, 206.199219 MB of memory in use. ENERGY: 930600 755.0825 2031.2770 1935.0633 104.9864 -205462.2171 17380.2653 0.0000 0.0000 34439.4631 -148816.0796 300.7684 -183255.5427 -148721.5674 300.0649 -264.2843 -231.8692 559039.8893 3.8931 3.7519 PRESSURE: 930800 -19.9667 -15.6938 29.9562 -15.6942 -109.185 -207.347 29.9579 -207.347 -200.868 GPRESSURE: 930800 -53.8299 -51.2251 76.8854 15.8661 -34.221 -147.198 29.9782 -222.942 -151.098 PRESSAVG: 930800 -7.56512 28.3386 -5.61762 28.3386 -0.648664 -38.4871 -5.61764 -38.4871 6.48449 GPRESSAVG: 930800 -6.17425 29.2563 -6.14228 28.0127 -2.07083 -38.8768 -3.93863 -36.3365 6.03658 TIMING: 930800 CPU: 2773.42, 0.00296982/step Wall: 2773.42, 0.00296982/step, 3.35689 hours remaining, 206.199219 MB of memory in use. ENERGY: 930800 702.8357 2068.6791 1955.8713 120.8270 -205269.9054 17363.5709 0.0000 0.0000 34346.7423 -148711.3791 299.9586 -183058.1214 -148603.8539 300.5656 -110.0067 -79.7164 559050.1635 -0.5764 -0.7362 PRESSURE: 931000 -128.419 93.4205 -66.0308 93.4195 -0.104744 -91.8152 -66.0316 -91.8154 -160.192 GPRESSURE: 931000 -148.748 152.794 -116.569 -36.7799 80.3377 -116.977 -95.8551 -85.0692 -117.52 PRESSAVG: 931000 -46.7371 -43.1316 -7.62862 -43.1316 31.0101 -48.4226 -7.62865 -48.4226 49.2852 GPRESSAVG: 931000 -47.6725 -44.2546 -6.73506 -42.3093 32.854 -49.4985 -9.23636 -47.5544 49.2832 TIMING: 931000 CPU: 2774.01, 0.00295625/step Wall: 2774.01, 0.00295625/step, 3.34139 hours remaining, 206.199219 MB of memory in use. ENERGY: 931000 747.8340 2129.8903 1913.7466 108.9902 -205585.0228 17618.4475 0.0000 0.0000 34250.4653 -148815.6491 299.1178 -183066.1143 -148720.2813 300.2235 -96.2384 -61.9767 558723.2304 11.1861 11.4882 PRESSURE: 931200 -345.807 -89.1319 111.086 -89.1324 -209.171 -42.4157 111.087 -42.4162 -104.662 GPRESSURE: 931200 -270.738 -104.829 74.7531 -39.2171 -208.297 -18.0805 203.756 -98.9319 -82.5539 PRESSAVG: 931200 46.5217 22.1848 -16.3072 22.1847 -21.5054 28.6695 -16.3073 28.6695 -13.87 GPRESSAVG: 931200 47.2428 21.2111 -19.1079 20.9086 -22.2945 29.1536 -14.8105 27.3422 -13.7739 TIMING: 931200 CPU: 2774.6, 0.00297387/step Wall: 2774.6, 0.00297387/step, 3.36114 hours remaining, 206.199219 MB of memory in use. ENERGY: 931200 741.9987 2110.0027 1945.0326 114.9665 -206289.1316 17842.3266 0.0000 0.0000 34676.3752 -148858.4292 302.8374 -183534.8044 -148764.5366 300.0420 -219.8799 -187.1962 558325.8044 3.7154 3.7248 PRESSURE: 931400 -44.1188 -84.9067 -148.112 -84.9065 211.136 -48.5671 -148.112 -48.5678 -10.893 GPRESSURE: 931400 -98.181 -146.457 -155.799 -81.017 261.938 -82.1109 -172.268 -3.34798 105.948 PRESSAVG: 931400 10.5113 29.5584 23.1584 29.5585 -28.8236 10.6834 23.1584 10.6834 54.0875 GPRESSAVG: 931400 9.0409 30.3954 24.051 30.1969 -28.2135 11.9862 22.9577 9.37243 55.5322 TIMING: 931400 CPU: 2775.2, 0.00300237/step Wall: 2775.2, 0.00300237/step, 3.39318 hours remaining, 206.199219 MB of memory in use. ENERGY: 931400 714.4181 2075.7501 1947.9542 120.6375 -205880.1894 17715.4246 0.0000 0.0000 34208.9483 -149097.0566 298.7553 -183306.0049 -148994.4014 300.1146 52.0416 89.9015 557178.8691 11.9251 12.1199 PRESSURE: 931600 -157.05 -105.726 -102.272 -105.726 -16.2363 -16.9202 -102.272 -16.9202 231.274 GPRESSURE: 931600 -104.009 -4.8189 -128.045 -124.425 -26.5246 47.8782 -144.053 -118.441 278.417 PRESSAVG: 931600 -45.3061 7.47828 -5.75824 7.4783 -13.9954 -23.8557 -5.75829 -23.8557 91.1495 GPRESSAVG: 931600 -43.343 6.6798 -6.48369 6.88867 -15.2869 -25.882 -5.28512 -23.0152 89.55 TIMING: 931600 CPU: 2775.8, 0.00300482/step Wall: 2775.8, 0.00300482/step, 3.39578 hours remaining, 206.199219 MB of memory in use. ENERGY: 931600 781.2492 2012.0115 1965.6451 111.4206 -206162.0097 17850.5688 0.0000 0.0000 34295.8763 -149145.2382 299.5144 -183441.1145 -149054.6083 299.6999 19.3293 49.2944 558075.9912 10.6160 10.3067 PRESSURE: 931800 79.3656 -88.5689 -32.1165 -88.5693 -125.945 252.937 -32.116 252.936 -282.614 GPRESSURE: 931800 82.3441 -141.681 -41.5847 -37.7294 -43.6534 231.208 -130.828 294.063 -274.386 PRESSAVG: 931800 36.4885 -44.3457 17.2388 -44.3456 1.56274 54.5427 17.2388 54.5428 -58.4944 GPRESSAVG: 931800 36.0181 -42.6077 19.5672 -45.5432 3.09904 55.2889 16.7308 55.6509 -59.5259 TIMING: 931800 CPU: 2776.4, 0.00301181/step Wall: 2776.4, 0.00301181/step, 3.40352 hours remaining, 206.199219 MB of memory in use. ENERGY: 931800 788.3966 2096.5150 1929.8074 103.4594 -205895.7491 17686.5492 0.0000 0.0000 34104.1111 -149186.9103 297.8397 -183291.0214 -149084.9085 299.0426 -109.7309 -78.5650 558082.6678 -6.8144 -6.8029 PRESSURE: 932000 29.8566 90.6004 -169.719 90.5999 153.59 -98.895 -169.718 -98.896 -77.8743 GPRESSURE: 932000 119.21 79.4688 -185.375 110.513 167.349 -71.5202 -192.067 -6.79534 -67.568 PRESSAVG: 932000 41.7877 -33.3401 -5.19941 -33.3401 -19.3261 14.2977 -5.19935 14.2976 -102.747 GPRESSAVG: 932000 41.4652 -33.5394 -4.21272 -32.9421 -20.1508 16.0032 -7.14854 11.7891 -101.512 TIMING: 932000 CPU: 2777, 0.00295528/step Wall: 2777, 0.00295528/step, 3.33946 hours remaining, 206.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 932000 740.8956 2150.1412 1893.5448 106.8667 -206040.9661 17724.0079 0.0000 0.0000 34126.4599 -149299.0500 298.0349 -183425.5099 -149204.1962 298.9814 35.1907 72.9969 556092.3821 -26.7616 -26.7324 PRESSURE: 932200 245.581 237.906 -75.5053 237.907 -102.093 3.56555 -75.5048 3.56535 61.8342 GPRESSURE: 932200 213.423 272.785 -91.9564 238.06 -15.4837 -67.1224 -48.7025 115.741 97.9483 PRESSAVG: 932200 39.4984 19.0167 -80.5016 19.0167 -48.5273 -46.6577 -80.5018 -46.6576 60.1654 GPRESSAVG: 932200 38.5055 19.1982 -80.8643 20.4726 -47.9067 -47.4879 -79.6082 -46.3922 60.3872 TIMING: 932200 CPU: 2777.59, 0.00296557/step Wall: 2777.59, 0.00296557/step, 3.35093 hours remaining, 206.199219 MB of memory in use. ENERGY: 932200 749.3616 2110.8041 1916.7608 110.8705 -206549.5521 18001.5342 0.0000 0.0000 34194.4301 -149465.7907 298.6285 -183660.2208 -149375.6022 298.7185 68.4408 98.6292 556014.6507 17.0455 16.9954 LDB: ============= START OF LOAD BALANCING ============== 2781.14 LDB: ============== END OF LOAD BALANCING =============== 2781.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2781.14 LDB: ============= START OF LOAD BALANCING ============== 2781.43 LDB: Largest compute 4773 load 0.028607 is 24.2% of average load 0.118155 LDB: Average compute 0.001734 is 1.5% of average load 0.118155 LDB: TIME 2781.44 LOAD: AVG 0.118155 MAX 0.20528 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 2781.44 LOAD: AVG 0.118155 MAX 0.20528 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: TIME 2781.44 LOAD: AVG 0.118155 MAX 0.20528 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: ============== END OF LOAD BALANCING =============== 2781.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2781.44 PRESSURE: 932400 300.514 -43.258 17.6986 -43.258 194.938 -14.1084 17.6978 -14.1074 119.502 GPRESSURE: 932400 363.371 -76.5841 -19.4206 -12.2044 270.296 97.7071 -16.2755 -66.9892 77.5224 PRESSAVG: 932400 4.48468 26.8718 -37.7033 26.8718 -35.0441 -65.733 -37.7033 -65.7331 -0.115396 GPRESSAVG: 932400 6.54552 25.7501 -40.1846 26.9979 -35.545 -66.7816 -36.3546 -64.375 -1.30382 TIMING: 932400 CPU: 2778.19, 0.00302006/step Wall: 2778.19, 0.00302006/step, 3.41233 hours remaining, 206.710938 MB of memory in use. ENERGY: 932400 735.1932 2071.4685 1939.1013 108.2228 -206725.9674 18190.4803 0.0000 0.0000 34191.3465 -149490.1549 298.6015 -183681.5014 -149400.0874 298.4110 204.9845 237.0631 556613.2803 -10.2249 -10.1011 PRESSURE: 932600 -71.6645 24.8484 17.0746 24.849 -160.828 93.6914 17.0741 93.6915 10.5572 GPRESSURE: 932600 0.00294776 8.99976 76.0762 67.1673 -151.046 41.1301 -32.2296 98.0752 32.4088 PRESSAVG: 932600 -28.8969 28.3192 -9.53506 28.3192 -40.8692 66.1694 -9.5351 66.1694 34.5314 GPRESSAVG: 932600 -29.056 28.433 -6.0256 28.5932 -40.2824 67.5012 -12.6317 64.4587 33.4905 TIMING: 932600 CPU: 2778.79, 0.0030071/step Wall: 2778.79, 0.0030071/step, 3.39752 hours remaining, 206.914062 MB of memory in use. ENERGY: 932600 737.1732 2061.7631 1934.1316 121.6057 -206612.5675 17920.5796 0.0000 0.0000 34081.1370 -149756.1774 297.6390 -183837.3144 -149659.6696 297.8706 -73.9782 -39.5448 556909.5309 -11.7449 -11.9493 PRESSURE: 932800 149.886 91.4044 68.3095 91.4052 53.5134 -208.556 68.3097 -208.555 -77.6251 GPRESSURE: 932800 179.894 75.665 89.623 60.3106 102.666 -199.228 155.893 -196.647 -57.0287 PRESSAVG: 932800 14.633 -0.975945 -8.15397 -0.975961 18.5283 -5.52095 -8.15401 -5.521 -2.18581 GPRESSAVG: 932800 14.8168 0.563271 -9.7042 -3.05236 16.7499 -5.67489 -6.45796 -3.96835 -0.7287 TIMING: 932800 CPU: 2779.4, 0.00300779/step Wall: 2779.4, 0.00300779/step, 3.39813 hours remaining, 206.914062 MB of memory in use. ENERGY: 932800 728.1642 1994.6099 1950.1614 130.2611 -206590.9296 17795.6673 0.0000 0.0000 34119.7756 -149872.2899 297.9765 -183992.0656 -149781.3385 297.4961 41.9246 75.1772 556936.7166 10.3252 10.2793 PRESSURE: 933000 -116.516 124.71 -30.3342 124.71 -107.469 180.335 -30.3346 180.336 -90.7267 GPRESSURE: 933000 -85.6676 138.19 -41.6512 183.363 -67.0428 261.71 -38.6924 184.151 -64.4951 PRESSAVG: 933000 7.06912 12.2472 31.8047 12.2472 -29.8413 -2.40407 31.8046 -2.40399 21.6964 GPRESSAVG: 933000 6.22879 10.9992 32.6004 15.4665 -28.587 -3.1093 31.0285 -3.13824 21.5752 TIMING: 933000 CPU: 2780, 0.00301039/step Wall: 2780, 0.00301039/step, 3.4009 hours remaining, 206.914062 MB of memory in use. ENERGY: 933000 715.3555 2082.9163 1928.5247 123.1130 -206473.2717 17710.3218 0.0000 0.0000 34124.7303 -149788.3100 298.0198 -183913.0403 -149691.3230 297.5346 -104.9039 -72.4018 556956.6909 -0.3586 -0.2610 PRESSURE: 933200 6.72883 58.512 104.486 58.5127 -71.1598 -70.9733 104.486 -70.9745 -342.616 GPRESSURE: 933200 50.6973 -37.2919 145.548 20.0635 -37.0123 -171.154 122.213 -24.5404 -319.78 PRESSAVG: 933200 26.5722 39.4335 20.0561 39.4335 31.5743 48.8383 20.056 48.8382 -27.0303 GPRESSAVG: 933200 27.6956 40.4903 19.679 36.3708 31.0665 48.1997 21.764 49.9517 -27.8016 TIMING: 933200 CPU: 2780.6, 0.00299625/step Wall: 2780.6, 0.00299625/step, 3.38476 hours remaining, 206.914062 MB of memory in use. ENERGY: 933200 743.5358 2142.5473 1929.0552 110.2079 -206672.4783 17776.9200 0.0000 0.0000 34219.9932 -149750.2190 298.8517 -183970.2122 -149656.6105 298.3457 -135.6824 -102.0316 556763.6695 10.3721 10.3202 PRESSURE: 933400 -254.552 54.1907 22.9322 54.1897 -22.8951 32.2321 22.934 32.2319 -160.188 GPRESSURE: 933400 -195.644 110.593 23.515 17.3927 -8.48397 7.81286 29.5043 56.1053 -136.044 PRESSAVG: 933400 17.5318 31.0459 -32.6738 31.0459 -69.0103 17.6653 -32.6738 17.6653 23.8785 GPRESSAVG: 933400 16.9653 30.8264 -34.3685 30.9607 -69.1143 17.3021 -32.8248 16.6028 24.6822 TIMING: 933400 CPU: 2781.2, 0.00300173/step Wall: 2781.2, 0.00300173/step, 3.39079 hours remaining, 206.914062 MB of memory in use. ENERGY: 933400 751.0143 2082.9047 1936.1456 102.3160 -206310.5396 17659.1175 0.0000 0.0000 34213.0621 -149565.9795 298.7912 -183779.0416 -149471.3863 298.5203 -145.8786 -113.3909 556498.4109 -9.2000 -9.1556 PRESSURE: 933600 -205.06 154.561 162.145 154.56 -33.0654 -19.8355 162.146 -19.8354 -75.7854 GPRESSURE: 933600 -139.04 100.156 122.332 213.296 -13.0319 -50.2077 140.208 -80.8432 -66.1085 PRESSAVG: 933600 -16.1199 40.4463 -7.61047 40.4462 24.6942 43.1294 -7.61054 43.1295 -6.67429 GPRESSAVG: 933600 -16.3765 38.8278 -6.60491 43.2991 24.5915 44.9412 -7.78804 44.176 -6.68204 TIMING: 933600 CPU: 2781.8, 0.00302414/step Wall: 2781.8, 0.00302414/step, 3.41593 hours remaining, 206.914062 MB of memory in use. ENERGY: 933600 754.5641 2103.1786 1922.8166 100.3329 -206410.9024 17812.6202 0.0000 0.0000 34198.1454 -149519.2446 298.6609 -183717.3900 -149422.9088 299.0013 -104.6371 -72.7268 555807.4601 0.6334 0.5110 PRESSURE: 933800 297.397 188.781 -35.7745 188.78 345.748 57.0461 -35.7748 57.0461 231.298 GPRESSURE: 933800 370.549 117.73 -28.0464 158.324 355.792 17.876 -50.2345 105.218 235.283 PRESSAVG: 933800 26.8615 21.4357 13.0082 21.4358 -38.212 38.1332 13.0082 38.1331 19.4675 GPRESSAVG: 933800 26.8895 21.2052 12.8099 20.3321 -38.2359 37.0831 12.5608 38.4563 18.7287 TIMING: 933800 CPU: 2782.39, 0.00295706/step Wall: 2782.39, 0.00295706/step, 3.34 hours remaining, 206.914062 MB of memory in use. ENERGY: 933800 748.2053 2110.1546 1948.5792 98.4002 -206782.8893 18242.9974 0.0000 0.0000 34054.9996 -149579.5531 297.4108 -183634.5526 -149483.5272 298.8247 291.4809 320.5413 555429.2339 2.7057 2.4607 PRESSURE: 934000 -50.2151 40.0378 152.75 40.0378 -102.236 -34.3128 152.751 -34.311 175.626 GPRESSURE: 934000 -20.3415 63.9927 124.535 65.5306 -102.136 -17.48 127.403 -22.6757 246.104 PRESSAVG: 934000 7.13905 69.0999 23.482 69.0999 -63.0602 5.10752 23.482 5.10759 5.12802 GPRESSAVG: 934000 7.94175 71.7699 24.317 67.754 -63.0741 4.82248 23.9692 6.3799 4.90857 TIMING: 934000 CPU: 2782.99, 0.00300033/step Wall: 2782.99, 0.00300033/step, 3.3887 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 934000 757.8395 2041.9515 1966.0474 102.7060 -206214.9435 17771.7425 0.0000 0.0000 34059.1897 -149515.4669 297.4474 -183574.6566 -149415.5284 298.1773 7.7249 41.2088 557078.0082 -16.9310 -16.7413 PRESSURE: 934200 -280.283 132.92 30.8934 132.921 15.3229 -90.8541 30.8927 -90.8542 92.13 GPRESSURE: 934200 -263.84 100.837 2.79464 71.4862 69.0905 -119.32 1.78874 -14.9944 116.678 PRESSAVG: 934200 -35.2473 15.3255 -10.697 15.3255 25.8599 18.2319 -10.6971 18.232 23.8868 GPRESSAVG: 934200 -36.299 14.1535 -12.4019 17.1633 26.0275 20.1466 -10.5637 15.7581 24.8838 TIMING: 934200 CPU: 2783.59, 0.00297076/step Wall: 2783.59, 0.00297076/step, 3.35514 hours remaining, 206.914062 MB of memory in use. ENERGY: 934200 741.0066 2127.8955 1932.1957 107.0879 -206677.4173 17875.2478 0.0000 0.0000 34392.8250 -149501.1589 300.3611 -183893.9839 -149406.0568 298.5678 -57.6099 -26.0239 556902.5774 4.8331 4.8708 PRESSURE: 934400 -246.491 271.268 -47.5794 271.267 -333.401 -221.662 -47.58 -221.661 -292.564 GPRESSURE: 934400 -237.527 262.652 -11.1942 258.155 -290.655 -218.37 -70.5807 -166.483 -254.233 PRESSAVG: 934400 -71.9282 51.5976 7.66314 51.5976 2.25849 -30.5688 7.66314 -30.5688 99.9612 GPRESSAVG: 934400 -72.2106 51.6678 7.04271 49.1377 2.4483 -30.1793 8.89662 -30.5287 100.115 TIMING: 934400 CPU: 2784.18, 0.00295276/step Wall: 2784.18, 0.00295276/step, 3.33465 hours remaining, 206.914062 MB of memory in use. ENERGY: 934400 778.3050 2057.2911 1933.3253 94.6743 -206129.6008 17538.5008 0.0000 0.0000 34264.4789 -149463.0254 299.2402 -183727.5043 -149358.7253 298.8880 -290.8186 -260.8049 558265.8819 10.0972 10.1175 PRESSURE: 934600 -397.437 -48.1398 36.6636 -48.1394 -2.72495 -96.425 36.664 -96.4233 126.021 GPRESSURE: 934600 -310.963 -36.8933 -30.5457 -63.8684 24.9501 -114.758 15.5473 -31.237 100.602 PRESSAVG: 934600 -35.3128 26.5562 69.8038 26.5563 18.0983 -24.1767 69.8038 -24.1767 38.5186 GPRESSAVG: 934600 -34.7296 24.4476 70.5425 29.7066 18.1933 -26.4653 68.8989 -23.1744 38.1981 TIMING: 934600 CPU: 2784.77, 0.00296763/step Wall: 2784.77, 0.00296763/step, 3.35128 hours remaining, 206.914062 MB of memory in use. ENERGY: 934600 775.4491 2101.4981 1921.6971 124.5158 -206125.8897 17699.2035 0.0000 0.0000 34190.0320 -149313.4942 298.5901 -183503.5262 -149217.4391 299.0894 -91.3805 -61.8036 558158.9646 7.1014 7.2206 PRESSURE: 934800 50.7325 -141.907 -11.5043 -141.909 -80.9729 93.19 -11.5045 93.1901 -160.253 GPRESSURE: 934800 78.6703 -83.3759 -42.5456 -128.351 -95.6495 106.702 64.5969 73.0647 -88.8835 PRESSAVG: 934800 -91.9563 -19.5574 -23.1646 -19.5574 7.37748 -6.2168 -23.1646 -6.21674 76.4834 GPRESSAVG: 934800 -92.7077 -18.1819 -21.3472 -19.4625 8.30257 -8.15087 -24.4399 -5.00128 76.4857 TIMING: 934800 CPU: 2785.37, 0.00297333/step Wall: 2785.37, 0.00297333/step, 3.35755 hours remaining, 206.914062 MB of memory in use. ENERGY: 934800 767.5235 2106.5505 1938.5395 117.4809 -206504.0109 17940.7280 0.0000 0.0000 34408.2262 -149224.9624 300.4956 -183633.1886 -149124.9995 299.6751 -63.4979 -35.2876 557410.0148 -2.6984 -2.6398 PRESSURE: 935000 92.0935 210.271 210.629 210.271 -145.209 182.341 210.629 182.341 -125.692 GPRESSURE: 935000 141.779 176.044 191.582 255.997 -98.6619 153.324 203.503 202.764 -114.642 PRESSAVG: 935000 -19.5832 -12.6678 36.5629 -12.6677 -7.13037 45.8957 36.5629 45.8956 50.6339 GPRESSAVG: 935000 -19.7133 -12.8627 36.5019 -14.0323 -7.35729 49.0056 35.1018 44.9556 50.9264 TIMING: 935000 CPU: 2785.97, 0.00299772/step Wall: 2785.97, 0.00299772/step, 3.38492 hours remaining, 206.914062 MB of memory in use. ENERGY: 935000 774.4874 2099.6894 1919.0270 114.5787 -205998.7242 17719.9802 0.0000 0.0000 34100.7260 -149270.2356 297.8101 -183370.9615 -149175.1172 299.8423 -59.6027 -23.8417 557668.7575 7.9734 7.9519 PRESSURE: 935200 -93.957 95.7208 -62.4315 95.7212 53.2995 11.9618 -62.4324 11.9619 366.135 GPRESSURE: 935200 -47.022 77.8315 -52.0677 142.862 69.8518 -20.8662 -59.2663 -61.3406 399.01 PRESSAVG: 935200 56.3307 45.5639 25.331 45.5639 -49.9355 29.2645 25.331 29.2646 3.92801 GPRESSAVG: 935200 56.5363 43.241 27.2153 47.0152 -50.2415 28.3463 26.8912 28.871 3.64882 TIMING: 935200 CPU: 2786.57, 0.00301735/step Wall: 2786.57, 0.00301735/step, 3.40692 hours remaining, 206.914062 MB of memory in use. ENERGY: 935200 752.8908 2142.2740 1929.7841 112.7328 -206356.5505 17923.3663 0.0000 0.0000 34330.4480 -149165.0544 299.8163 -183495.5024 -149061.5411 299.0379 108.4923 140.6134 556822.8431 3.4411 3.3145 PRESSURE: 935400 -144.422 -62.2853 -18.4479 -62.2857 -269.045 109.15 -18.4472 109.151 -137.894 GPRESSURE: 935400 -131.753 43.7168 -7.54555 -103.46 -247.648 182.582 -14.6479 56.9504 -80.1912 PRESSAVG: 935400 35.7314 -20.7786 -1.94765 -20.7787 -86.6183 25.9216 -1.94762 25.9216 27.0035 GPRESSAVG: 935400 35.6694 -18.3053 -3.54848 -21.7165 -87.5177 25.9846 -1.05929 25.5422 27.7704 TIMING: 935400 CPU: 2787.18, 0.00303775/step Wall: 2787.18, 0.00303775/step, 3.42979 hours remaining, 206.914062 MB of memory in use. ENERGY: 935400 742.2478 2130.1310 1889.4598 113.8440 -206095.2676 17641.8493 0.0000 0.0000 34369.1972 -149208.5385 300.1547 -183577.7357 -149109.9279 299.3185 -183.7869 -153.1976 558241.2830 -7.9611 -8.0259 PRESSURE: 935600 74.2382 111.053 -150.235 111.052 -62.3323 2.07412 -150.236 2.07175 -232.492 GPRESSURE: 935600 116.781 49.8175 -111.953 130.65 23.8786 -61.4165 -153.497 119.016 -256.009 PRESSAVG: 935600 8.15772 10.639 -5.58561 10.6391 -5.28188 23.753 -5.58552 23.7529 -1.05634 GPRESSAVG: 935600 7.58704 8.8011 -5.14518 11.8546 -4.36785 22.7921 -8.00808 25.7591 -1.06017 TIMING: 935600 CPU: 2787.78, 0.00301205/step Wall: 2787.78, 0.00301205/step, 3.40061 hours remaining, 206.914062 MB of memory in use. ENERGY: 935600 784.9973 2159.0548 1931.2468 113.2219 -206189.4391 17740.8244 0.0000 0.0000 33955.1964 -149504.8975 296.5392 -183460.0939 -149410.8588 298.0753 -73.5288 -38.4496 556804.6664 0.6065 0.7197 PRESSURE: 935800 -257.344 29.1094 -147.611 29.1089 -125.689 43.1551 -147.611 43.1551 -363.871 GPRESSURE: 935800 -197.286 -3.50397 -203.738 69.4716 -154.806 104.781 -141.238 41.4079 -288.281 PRESSAVG: 935800 -23.3659 -7.25875 -18.6593 -7.25874 63.4914 8.99444 -18.6592 8.99444 -63.5501 GPRESSAVG: 935800 -23.1956 -7.91856 -16.0559 -8.70496 63.5733 9.84735 -17.9835 9.98501 -63.4624 TIMING: 935800 CPU: 2788.38, 0.0029832/step Wall: 2788.38, 0.0029832/step, 3.36786 hours remaining, 206.914062 MB of memory in use. ENERGY: 935800 750.2728 2056.2614 1929.1982 115.2959 -206000.6107 17447.2934 0.0000 0.0000 34373.0882 -149329.2008 300.1887 -183702.2891 -149231.9080 298.6244 -248.9680 -213.4575 556667.8909 -7.8082 -7.6949 PRESSURE: 936000 -138.349 78.7906 65.5639 78.7905 -166.163 -41.714 65.5643 -41.7138 -90.5754 GPRESSURE: 936000 -130.921 54.5744 -30.678 109.485 -113.163 -38.4725 13.6718 -31.2733 -48.3112 PRESSAVG: 936000 -37.3299 -12.9209 38.7319 -12.9209 4.73805 14.305 38.7319 14.3049 31.8856 GPRESSAVG: 936000 -36.9222 -13.2389 36.0072 -10.7274 4.84634 15.0344 38.3893 11.041 31.4476 TIMING: 936000 CPU: 2788.98, 0.00301363/step Wall: 2788.98, 0.00301363/step, 3.40205 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 936000 757.5521 2063.0285 1943.6794 122.2658 -205895.7152 17581.8914 0.0000 0.0000 34153.0408 -149274.2572 298.2670 -183427.2980 -149178.8328 298.7128 -131.6958 -97.4651 557389.1394 -0.2354 -0.2094 PRESSURE: 936200 -220.811 -70.2509 -40.7222 -70.2507 -6.83106 35.9118 -40.722 35.912 -238.876 GPRESSURE: 936200 -187.34 -106.618 9.07256 -43.5941 5.35227 37.9731 -119.401 5.14196 -171.883 PRESSAVG: 936200 -75.8632 27.0342 6.87752 27.0342 -20.4511 -56.2578 6.87751 -56.2578 27.7882 GPRESSAVG: 936200 -76.7986 27.3804 8.00141 26.7358 -20.5208 -57.0022 7.12846 -54.38 28.4696 TIMING: 936200 CPU: 2789.57, 0.00296604/step Wall: 2789.57, 0.00296604/step, 3.34816 hours remaining, 206.914062 MB of memory in use. ENERGY: 936200 757.0164 2088.2851 1944.6403 127.7118 -205846.1172 17573.4907 0.0000 0.0000 34169.2865 -149185.6864 298.4089 -183354.9729 -149091.2546 298.8363 -155.5059 -117.9569 557974.6540 -22.8420 -22.9499 LDB: ============= START OF LOAD BALANCING ============== 2793.12 LDB: ============== END OF LOAD BALANCING =============== 2793.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2793.12 LDB: ============= START OF LOAD BALANCING ============== 2793.42 LDB: Largest compute 4773 load 0.027877 is 23.6% of average load 0.118156 LDB: Average compute 0.001734 is 1.5% of average load 0.118156 LDB: TIME 2793.42 LOAD: AVG 0.118156 MAX 0.207632 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 2793.42 LOAD: AVG 0.118156 MAX 0.207632 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 2793.42 LOAD: AVG 0.118156 MAX 0.207632 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 2793.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2793.43 PRESSURE: 936400 -44.4359 -66.9039 37.4992 -66.9023 -168.312 2.63254 37.4993 2.63181 62.7835 GPRESSURE: 936400 -22.6429 56.8914 128.07 -151.366 -80.985 -44.8198 -32.2226 22.5295 48.7267 PRESSAVG: 936400 15.2944 -7.39565 -22.1463 -7.39572 -73.1696 12.1576 -22.1464 12.1576 76.4135 GPRESSAVG: 936400 15.2206 -6.19139 -21.004 -8.61926 -72.7066 12.9812 -24.3715 12.9967 76.1598 TIMING: 936400 CPU: 2790.18, 0.00301835/step Wall: 2790.18, 0.00301835/step, 3.40705 hours remaining, 207.925781 MB of memory in use. ENERGY: 936400 740.8328 2129.0736 1932.1864 110.7231 -206309.8406 17682.1716 0.0000 0.0000 34493.0816 -149221.7715 301.2367 -183714.8531 -149119.0545 299.2394 -49.9880 -18.3004 556931.8826 6.1794 6.2246 PRESSURE: 936600 -313.455 286.824 10.0377 286.825 -235.347 114.693 10.0371 114.693 -141.794 GPRESSURE: 936600 -283.448 313.649 23.8241 267.101 -247.83 148.595 -3.32064 60.2747 -61.4722 PRESSAVG: 936600 -6.28573 35.9876 0.068756 35.9876 15.2253 71.7651 0.0687376 71.7652 25.5579 GPRESSAVG: 936600 -5.98407 36.5734 -2.61888 36.3251 14.6638 70.9599 3.91278 70.3245 25.3831 TIMING: 936600 CPU: 2790.77, 0.00299116/step Wall: 2790.77, 0.00299116/step, 3.37618 hours remaining, 208.128906 MB of memory in use. ENERGY: 936600 750.3786 2051.8920 1928.4599 109.3461 -205904.6535 17638.1233 0.0000 0.0000 34260.3798 -149166.0738 299.2044 -183426.4536 -149061.5470 300.0061 -230.1987 -197.5832 557819.4167 11.4991 11.3543 PRESSURE: 936800 -150.094 -88.5422 18.219 -88.5433 -259.851 -150.316 18.2195 -150.316 -185.395 GPRESSURE: 936800 -127.451 -146.501 -15.4108 -105.595 -264.182 -172.779 8.60174 -104.618 -121.166 PRESSAVG: 936800 16.1809 49.8952 -19.8327 49.8953 12.6886 43.4702 -19.8326 43.4703 2.66397 GPRESSAVG: 936800 15.8072 49.0404 -20.0348 49.7909 12.8244 45.0832 -20.7615 44.7183 2.89628 TIMING: 936800 CPU: 2791.38, 0.0030121/step Wall: 2791.38, 0.0030121/step, 3.39965 hours remaining, 208.128906 MB of memory in use. ENERGY: 936800 778.9083 2086.3176 1918.3813 123.5241 -206269.9216 17736.6451 0.0000 0.0000 34217.2387 -149408.9066 298.8277 -183626.1453 -149311.3068 299.4565 -198.4466 -170.9332 557813.5794 10.5111 10.5093 PRESSURE: 937000 273.321 -36.6833 -89.7301 -36.6828 -71.2779 148.101 -89.7304 148.101 -58.1679 GPRESSURE: 937000 343.851 -199.422 -142.896 15.4315 -45.3192 153.819 -53.082 70.7431 -41.0051 PRESSAVG: 937000 75.2659 9.76305 9.54127 9.76309 -24.8779 -16.4555 9.54117 -16.4556 -28.4177 GPRESSAVG: 937000 76.1888 10.9623 7.84412 10.1365 -25.6953 -15.8243 11.0418 -18.5358 -27.6192 TIMING: 937000 CPU: 2791.98, 0.00299603/step Wall: 2791.98, 0.00299603/step, 3.38136 hours remaining, 208.128906 MB of memory in use. ENERGY: 937000 768.2310 2034.4137 1917.7476 120.5786 -206310.8114 18036.8394 0.0000 0.0000 34285.6298 -149147.3713 299.4249 -183433.0011 -149047.8693 298.8941 47.9582 85.8423 556265.0230 7.3234 7.6248 PRESSURE: 937200 285.222 254.188 -12.7775 254.188 38.3792 -12.1576 -12.7778 -12.1565 324.98 GPRESSURE: 937200 296.384 288.964 -33.332 241.073 88.8444 71.4524 -4.54646 -150.593 355.723 PRESSAVG: 937200 54.5993 47.4644 -4.54649 47.4644 -78.0921 -5.11634 -4.54657 -5.11625 24.8267 GPRESSAVG: 937200 53.7973 46.914 -0.792878 46.2983 -77.6159 -7.56402 -7.45626 -5.6048 24.6874 TIMING: 937200 CPU: 2792.57, 0.0029773/step Wall: 2792.57, 0.0029773/step, 3.36005 hours remaining, 208.128906 MB of memory in use. ENERGY: 937200 749.4758 2133.3718 1951.3080 112.8571 -206447.5553 18181.0482 0.0000 0.0000 34351.0004 -148968.4940 299.9958 -183319.4944 -148870.6588 299.9263 216.1935 246.9837 557626.3417 0.4447 0.2896 PRESSURE: 937400 -176.376 -105.806 51.4352 -105.807 54.4145 154.948 51.4338 154.949 -9.4086 GPRESSURE: 937400 -138.327 -114.159 92.0574 -75.0758 158.96 162.275 -30.3798 147.46 -54.7007 PRESSAVG: 937400 45.3034 18.0251 -13.804 18.0251 -11.9189 31.3983 -13.804 31.3984 -27.8747 GPRESSAVG: 937400 44.948 18.9399 -15.4979 19.5496 -11.1316 31.762 -12.7269 34.4815 -28.5905 TIMING: 937400 CPU: 2793.17, 0.00300057/step Wall: 2793.17, 0.00300057/step, 3.38614 hours remaining, 208.128906 MB of memory in use. ENERGY: 937400 790.5745 2102.3459 1939.9396 114.0930 -206556.5248 18061.8247 0.0000 0.0000 34432.3063 -149115.4409 300.7059 -183547.7472 -149017.2310 300.3044 -43.7902 -11.3558 557779.5011 1.8366 1.7420 PRESSURE: 937600 133.835 17.4479 186.31 17.447 196.114 -33.4177 186.309 -33.4197 86.6309 GPRESSURE: 937600 167.647 6.86471 108.811 6.30478 235.661 -32.6844 162.418 76.3022 118.143 PRESSAVG: 937600 -31.3414 -49.0665 -18.8403 -49.0665 0.0801183 9.79905 -18.8403 9.79894 46.5913 GPRESSAVG: 937600 -31.3089 -47.5753 -18.0108 -50.2469 0.483234 11.5005 -20.9307 7.4394 46.4583 TIMING: 937600 CPU: 2793.77, 0.00297558/step Wall: 2793.77, 0.00297558/step, 3.35778 hours remaining, 208.128906 MB of memory in use. ENERGY: 937600 770.6302 2162.9668 1936.0501 110.6585 -206457.5268 18108.7938 0.0000 0.0000 34257.7976 -149110.6298 299.1819 -183368.4274 -149008.6742 300.4661 138.8601 173.8172 557105.5288 5.1100 5.2109 PRESSURE: 937800 -253.899 78.4863 98.0254 78.4868 -11.913 -93.1054 98.0265 -93.1037 -213.856 GPRESSURE: 937800 -224.98 27.3367 98.2767 72.6983 15.5173 -104.254 79.1613 -85.1555 -171.519 PRESSAVG: 937800 -42.3014 3.18066 -7.26732 3.18055 -1.9442 -12.4853 -7.26727 -12.4855 45.791 GPRESSAVG: 937800 -41.4077 1.8885 -7.02651 4.35328 -2.51393 -12.6429 -6.23155 -10.9795 45.6169 TIMING: 937800 CPU: 2794.36, 0.00296456/step Wall: 2794.36, 0.00296456/step, 3.34518 hours remaining, 208.128906 MB of memory in use. ENERGY: 937800 742.2049 2161.1132 1948.4533 116.6150 -205821.4343 17547.5338 0.0000 0.0000 34231.3350 -149074.1790 298.9508 -183305.5140 -148975.8819 299.9633 -159.8895 -126.9940 558858.6912 0.5151 0.5651 PRESSURE: 938000 -31.4336 38.9527 42.0659 38.9524 -85.8475 -105.332 42.0662 -105.332 155.544 GPRESSURE: 938000 27.0393 28.9281 45.2222 -27.4415 -75.9843 -99.2962 6.60685 -130.976 182.066 PRESSAVG: 938000 23.0482 -3.0125 -4.8542 -3.0125 -23.1663 -30.5578 -4.85426 -30.558 -8.84448 GPRESSAVG: 938000 23.1651 -2.92056 -6.38111 -2.91194 -24.0118 -30.2911 -2.83815 -32.3371 -7.42736 TIMING: 938000 CPU: 2794.95, 0.00294323/step Wall: 2794.95, 0.00294323/step, 3.32095 hours remaining, 208.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 938000 719.6845 2131.8435 1949.4494 110.2824 -206397.1510 17870.2258 0.0000 0.0000 34326.3973 -149289.2682 299.7810 -183615.6655 -149192.7918 299.4666 12.7544 44.3736 557871.3717 -2.9875 -2.7580 PRESSURE: 938200 206.702 132.344 322.911 132.343 -158.267 20.265 322.912 20.2662 -95.7594 GPRESSURE: 938200 177.761 72.5634 299.359 168.404 -127.766 94.7991 332.579 18.6984 -11.8312 PRESSAVG: 938200 30.469 -6.72061 32.919 -6.72064 -77.0696 -24.7063 32.9191 -24.7062 19.8879 GPRESSAVG: 938200 30.4989 -5.528 32.718 -9.2228 -76.5858 -25.6413 32.7852 -22.7517 18.9327 TIMING: 938200 CPU: 2795.54, 0.00294648/step Wall: 2795.54, 0.00294648/step, 3.32445 hours remaining, 208.128906 MB of memory in use. ENERGY: 938200 758.1017 2136.3755 1951.6111 123.7444 -206275.2108 17764.1661 0.0000 0.0000 34195.1212 -149346.0909 298.6345 -183541.2121 -149251.6705 299.3507 -15.7747 12.7213 557974.6654 -8.9042 -9.0514 PRESSURE: 938400 -240.419 -38.5147 83.1278 -38.5145 92.989 51.7961 83.1278 51.7968 -25.0974 GPRESSURE: 938400 -248.279 1.6785 33.6355 -33.911 162.975 158.731 93.5866 46.8494 12.871 PRESSAVG: 938400 -1.11203 -49.1752 -4.2037 -49.1751 12.8061 13.1859 -4.20366 13.1858 12.5697 GPRESSAVG: 938400 -3.01872 -49.3022 -3.49997 -48.7642 13.2794 13.7037 -4.66168 12.6903 13.963 TIMING: 938400 CPU: 2796.13, 0.00297761/step Wall: 2796.13, 0.00297761/step, 3.3594 hours remaining, 208.128906 MB of memory in use. ENERGY: 938400 780.6784 2092.5528 1901.6384 107.6855 -206143.9680 17777.0143 0.0000 0.0000 34172.1110 -149312.2876 298.4335 -183484.3986 -149213.9858 299.1755 -57.5090 -24.1444 557010.4830 8.0879 8.0746 PRESSURE: 938600 -43.0241 -13.4331 -22.7739 -13.4349 81.7094 -112.728 -22.7734 -112.728 164.862 GPRESSURE: 938600 -6.82839 73.0474 23.1729 -66.5376 128.444 26.253 -106.387 -77.8398 184.083 PRESSAVG: 938600 12.0622 -10.5528 58.4719 -10.5528 -30.4531 -9.98401 58.4719 -9.98417 4.40963 GPRESSAVG: 938600 13.5251 -12.2335 58.7424 -9.25108 -30.8903 -11.8912 58.1222 -10.0769 2.92958 TIMING: 938600 CPU: 2796.73, 0.00296168/step Wall: 2796.73, 0.00296168/step, 3.34126 hours remaining, 208.128906 MB of memory in use. ENERGY: 938600 716.8548 2084.0392 1938.1046 115.5498 -206486.0546 17970.6981 0.0000 0.0000 34089.8274 -149570.9807 297.7149 -183660.8081 -149476.5330 298.6340 67.8491 101.8996 556449.2609 -4.6604 -4.8119 PRESSURE: 938800 15.2664 -115.536 -60.0557 -115.535 106.44 22.3461 -60.056 22.3448 201.935 GPRESSURE: 938800 71.6725 -131.893 -130.323 -61.9498 87.9445 85.599 -52.9591 57.5452 258.072 PRESSAVG: 938800 21.3245 -35.5018 -15.2644 -35.5018 -72.445 8.18998 -15.2645 8.19002 26.9856 GPRESSAVG: 938800 21.9279 -33.8211 -17.07 -35.0874 -74.0617 10.32 -15.5918 7.29466 27.6916 TIMING: 938800 CPU: 2797.32, 0.00296584/step Wall: 2797.32, 0.00296584/step, 3.3458 hours remaining, 208.128906 MB of memory in use. ENERGY: 938800 713.7472 2098.8522 1940.5802 116.3331 -206504.7933 17915.8094 0.0000 0.0000 34173.6290 -149545.8422 298.4468 -183719.4712 -149444.4035 298.5335 107.8804 139.2296 556333.0091 -8.0449 -8.1474 PRESSURE: 939000 -6.38702 -30.9955 10.0716 -30.9965 -59.36 -18.9895 10.0722 -18.9902 184.374 GPRESSURE: 939000 15.4864 -42.3731 -8.91721 -55.0045 5.17643 -51.1963 2.18308 12.1618 203.099 PRESSAVG: 939000 32.5158 4.26175 31.3942 4.26162 20.6386 -31.1009 31.3941 -31.101 21.2309 GPRESSAVG: 939000 31.6059 3.6823 33.9349 2.47891 22.7998 -33.7424 30.1544 -28.9121 20.0887 TIMING: 939000 CPU: 2797.91, 0.00297112/step Wall: 2797.91, 0.00297112/step, 3.35159 hours remaining, 208.128906 MB of memory in use. ENERGY: 939000 776.0890 2077.0391 1914.9021 109.7771 -206655.4511 18048.2460 0.0000 0.0000 34281.1477 -149448.2502 299.3858 -183729.3979 -149356.6145 299.2363 39.5423 74.5873 558185.4513 24.7951 24.8315 PRESSURE: 939200 -199.631 20.0769 152.598 20.0774 -31.682 6.37263 152.597 6.37177 -27.2088 GPRESSURE: 939200 -98.9849 38.2921 151.207 -79.1219 -2.84748 -78.7399 119.881 81.4108 -45.7125 PRESSAVG: 939200 -19.6018 -12.4208 41.9584 -12.4208 -0.700199 -61.1731 41.9584 -61.173 40.4478 GPRESSAVG: 939200 -20.319 -12.1967 40.7205 -13.2462 -1.08791 -61.418 42.7687 -62.3968 41.3089 TIMING: 939200 CPU: 2798.51, 0.00300458/step Wall: 2798.51, 0.00300458/step, 3.38916 hours remaining, 208.128906 MB of memory in use. ENERGY: 939200 787.6012 2108.7678 1934.1997 114.6169 -206613.2398 17864.6975 0.0000 0.0000 34348.7174 -149454.6394 299.9759 -183803.3568 -149363.4655 298.4981 -86.1739 -49.1816 557799.8126 6.7153 6.6340 PRESSURE: 939400 -110.16 94.3366 30.1162 94.3361 148.345 -69.0359 30.1153 -69.0368 -10.1316 GPRESSURE: 939400 -94.3209 122.558 52.7225 38.2255 179.012 -45.9726 52.0888 -83.5902 33.4932 PRESSAVG: 939400 -14.3289 13.4124 54.4212 13.4124 2.03179 -10.7056 54.4212 -10.7057 -7.59055 GPRESSAVG: 939400 -13.5977 14.3858 54.7663 13.2525 1.39514 -10.5761 54.9572 -9.89649 -7.91383 TIMING: 939400 CPU: 2799.11, 0.00296377/step Wall: 2799.11, 0.00296377/step, 3.34296 hours remaining, 208.128906 MB of memory in use. ENERGY: 939400 735.6773 2128.1663 1944.2914 108.5255 -206619.6835 17992.8730 0.0000 0.0000 34190.7081 -149519.4419 298.5960 -183710.1500 -149429.5603 298.2314 9.3513 39.3949 557575.4860 -6.6292 -6.7055 PRESSURE: 939600 37.0328 -23.2104 -100.936 -23.2088 50.3776 16.3966 -100.937 16.3943 -128.385 GPRESSURE: 939600 66.7837 47.5057 -147.804 -28.1899 94.4401 39.4881 -45.7109 0.594411 -100.358 PRESSAVG: 939600 -10.8516 1.6903 3.70635 1.69034 -58.9471 -70.8707 3.70641 -70.8707 43.4187 GPRESSAVG: 939600 -10.7189 -0.976998 2.90655 5.25406 -58.6069 -69.8127 4.12812 -70.582 42.4249 TIMING: 939600 CPU: 2799.7, 0.00296996/step Wall: 2799.7, 0.00296996/step, 3.34979 hours remaining, 208.128906 MB of memory in use. ENERGY: 939600 782.0050 2110.1752 1933.2675 120.4571 -206338.4944 17886.1175 0.0000 0.0000 34059.7850 -149446.6872 297.4526 -183506.4722 -149349.7275 297.6957 -13.6584 20.2887 556696.9629 -8.7933 -8.9670 PRESSURE: 939800 274.14 -155.523 -192.832 -155.521 -55.3822 -27.4913 -192.83 -27.4924 241.724 GPRESSURE: 939800 287.295 -89.1544 -236.304 -106.065 -26.8276 38.1459 -128.841 -30.7594 291.336 PRESSAVG: 939800 29.931 -1.27947 25.4176 -1.27945 -30.2188 8.81751 25.4177 8.81761 -52.325 GPRESSAVG: 939800 30.1699 -0.700641 25.0852 -2.7714 -30.5318 8.19202 25.9765 6.12508 -52.51 TIMING: 939800 CPU: 2800.29, 0.00296258/step Wall: 2800.29, 0.00296258/step, 3.3413 hours remaining, 208.128906 MB of memory in use. ENERGY: 939800 756.5136 2056.4640 1916.9984 112.1468 -206618.7537 17946.6934 0.0000 0.0000 34441.5264 -149388.4111 300.7864 -183829.9375 -149292.9441 298.5973 153.4940 183.9346 555167.2386 -17.5376 -17.6240 PRESSURE: 940000 -68.165 22.7663 248.87 22.7665 37.3878 -135.855 248.871 -135.855 70.4994 GPRESSURE: 940000 -26.7323 2.58986 215.931 38.1962 99.979 -109.608 221.011 -64.1848 72.7618 PRESSAVG: 940000 17.1865 52.0835 29.1047 52.0836 -11.5915 -51.0263 29.1046 -51.0264 -7.26963 GPRESSAVG: 940000 16.7768 51.8461 30.3085 51.0187 -11.1574 -50.9451 28.4093 -50.4414 -6.75408 TIMING: 940000 CPU: 2800.89, 0.00296725/step Wall: 2800.89, 0.00296725/step, 3.3464 hours remaining, 208.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 940000 747.3700 2133.8390 1934.8201 121.6156 -206405.4291 17876.5714 0.0000 0.0000 34211.4063 -149379.8068 298.7767 -183591.2130 -149283.8630 299.2995 13.2407 48.6695 556329.3396 -0.5582 -0.3782 PRESSURE: 940200 188.303 -19.7709 -187.463 -19.7715 277.461 -53.132 -187.461 -53.1307 -77.4887 GPRESSURE: 940200 195.711 2.93417 -166.743 -65.3358 326.245 -47.1458 -198.327 -180.14 -50.8141 PRESSAVG: 940200 30.6418 64.5328 28.2325 64.5328 57.3436 -15.4553 28.2325 -15.4553 -112.291 GPRESSAVG: 940200 31.2068 64.2817 28.6746 64.1682 57.8999 -16.5574 28.6117 -14.4004 -113.775 TIMING: 940200 CPU: 2801.48, 0.00295946/step Wall: 2801.48, 0.00295946/step, 3.33745 hours remaining, 208.128906 MB of memory in use. ENERGY: 940200 754.1264 2144.0222 1904.8377 112.9504 -207096.5247 18100.0082 0.0000 0.0000 34458.2124 -149622.3674 300.9321 -184080.5798 -149529.5271 298.1041 129.4252 157.0475 555597.0549 -8.1019 -8.2227 LDB: ============= START OF LOAD BALANCING ============== 2805.03 LDB: ============== END OF LOAD BALANCING =============== 2805.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2805.03 LDB: ============= START OF LOAD BALANCING ============== 2805.33 LDB: Largest compute 4773 load 0.027677 is 23.4% of average load 0.118128 LDB: Average compute 0.001735 is 1.5% of average load 0.118128 LDB: TIME 2805.33 LOAD: AVG 0.118128 MAX 0.209241 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.645 MB LDB: TIME 2805.33 LOAD: AVG 0.118128 MAX 0.209241 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.688 MB LDB: TIME 2805.33 LOAD: AVG 0.118128 MAX 0.209241 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.688 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2805.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2805.34 PRESSURE: 940400 -140.448 -79.1447 17.456 -79.146 -315.187 143.814 17.4568 143.812 -93.3833 GPRESSURE: 940400 -97.7778 -46.9697 77.6621 -81.8952 -239.332 188.258 -84.8352 110.685 -123.58 PRESSAVG: 940400 16.2281 11.1916 -71.9675 11.1916 63.3777 5.00434 -71.9676 5.0042 -28.6366 GPRESSAVG: 940400 16.303 12.0416 -72.3526 11.5876 61.9684 6.63577 -71.0544 2.60166 -27.4903 TIMING: 940400 CPU: 2802.09, 0.00304632/step Wall: 2802.09, 0.00304632/step, 3.43524 hours remaining, 207.156250 MB of memory in use. ENERGY: 940400 783.4509 2039.3149 1949.2627 99.7409 -206295.8902 17680.0934 0.0000 0.0000 34216.4109 -149527.6164 298.8204 -183744.0273 -149424.9814 298.8750 -183.0059 -153.5634 556927.9154 16.9897 16.9270 PRESSURE: 940600 -66.7193 182.192 9.76904 182.192 165.823 -153.639 9.76828 -153.637 107.48 GPRESSURE: 940600 -9.77565 117.984 -16.9454 142.41 202.016 -192.272 67.7956 -59.9914 114.544 PRESSAVG: 940600 -13.5951 -57.9167 -13.4383 -57.9168 30.8584 -4.53906 -13.4382 -4.53893 -38.5758 GPRESSAVG: 940600 -14.4306 -57.261 -11.9412 -56.371 31.1486 -5.71724 -16.1656 -1.96667 -38.3762 TIMING: 940600 CPU: 2802.68, 0.00297628/step Wall: 2802.68, 0.00297628/step, 3.35609 hours remaining, 207.359375 MB of memory in use. ENERGY: 940600 747.5922 2091.5954 1921.7775 106.2914 -206541.3654 17833.0211 0.0000 0.0000 34239.8391 -149601.2486 299.0250 -183841.0878 -149510.0917 298.7734 68.8610 102.2613 554378.8631 -7.1042 -7.2194 PRESSURE: 940800 -175.417 16.1494 -222.771 16.1502 34.4315 -83.185 -222.772 -83.183 -304.237 GPRESSURE: 940800 -146.176 76.348 -254.969 92.314 43.6688 -81.958 -173.783 -74.2628 -251.725 PRESSAVG: 940800 2.21642 28.5185 -23.5058 28.5184 12.7086 -58.9964 -23.5058 -58.9962 -24.8238 GPRESSAVG: 940800 3.1039 29.1288 -27.6035 27.1996 12.0791 -59.1179 -21.1439 -58.5182 -25.076 TIMING: 940800 CPU: 2803.28, 0.00299375/step Wall: 2803.28, 0.00299375/step, 3.37562 hours remaining, 207.359375 MB of memory in use. ENERGY: 940800 752.3729 2117.7530 1897.4110 114.8711 -206412.6821 17675.4152 0.0000 0.0000 34273.1497 -149581.7091 299.3159 -183854.8589 -149477.9934 298.7586 -148.4078 -118.0775 557060.2679 -3.2996 -3.2977 PRESSURE: 941000 -286.178 87.9852 1.40985 87.984 71.9943 -98.9836 1.40954 -98.9848 -386.992 GPRESSURE: 941000 -226.875 119.351 16.0398 11.5528 55.7813 -206.645 -30.1842 -48.8021 -333.809 PRESSAVG: 941000 16.4003 18.153 -13.3393 18.153 45.3531 -10.053 -13.3394 -10.053 -87.7917 GPRESSAVG: 941000 15.499 17.6877 -13.1631 19.1208 44.5455 -9.70095 -12.6432 -11.5376 -86.7809 TIMING: 941000 CPU: 2803.88, 0.00300034/step Wall: 2803.88, 0.00300034/step, 3.38288 hours remaining, 207.359375 MB of memory in use. ENERGY: 941000 769.5881 2124.2721 1940.0349 128.4776 -206315.5581 17679.7266 0.0000 0.0000 34013.9329 -149659.5260 297.0521 -183673.4589 -149566.1198 298.2077 -200.3921 -168.3009 557566.2663 -8.6795 -8.9121 PRESSURE: 941200 325.404 5.95701 245.496 5.95659 -81.2752 -257.396 245.496 -257.396 -136.037 GPRESSURE: 941200 313.441 -68.9936 239.538 37.3869 -47.5962 -220.142 274.692 -204.706 -55.7556 PRESSAVG: 941200 15.592 -10.8139 -36.3986 -10.8138 -15.211 -44.2458 -36.3985 -44.2459 8.80236 GPRESSAVG: 941200 15.1462 -9.23179 -35.9825 -10.3191 -14.5009 -43.6306 -36.5873 -43.9947 8.38572 TIMING: 941200 CPU: 2804.48, 0.00299883/step Wall: 2804.48, 0.00299883/step, 3.38102 hours remaining, 207.359375 MB of memory in use. ENERGY: 941200 757.7195 2143.7250 1925.0431 113.5455 -206558.6962 17761.7792 0.0000 0.0000 34139.4208 -149717.4630 298.1481 -183856.8838 -149624.9824 298.6353 36.0307 70.0296 555720.2572 3.0611 3.0104 PRESSURE: 941400 330.908 12.7655 -78.9581 12.765 89.1468 -151.088 -78.959 -151.089 -98.4065 GPRESSURE: 941400 348.581 70.5689 -62.0678 -24.3965 135.605 -194.578 -115.853 -128.903 -69.5688 PRESSAVG: 941400 29.6536 7.80889 -7.73532 7.80886 33.0347 -18.7663 -7.73541 -18.7662 -42.8055 GPRESSAVG: 941400 30.2649 4.56968 -5.83283 6.69994 33.1309 -18.5618 -9.03172 -19.2918 -43.3726 TIMING: 941400 CPU: 2805.08, 0.00300024/step Wall: 2805.08, 0.00300024/step, 3.38244 hours remaining, 207.359375 MB of memory in use. ENERGY: 941400 742.3430 2137.4589 1896.8863 119.9385 -206500.3038 17819.5030 0.0000 0.0000 34036.7330 -149747.4412 297.2513 -183784.1742 -149651.3800 297.9921 107.2162 138.2060 554222.0564 6.6276 6.6744 PRESSURE: 941600 221.371 -42.48 149.033 -42.4795 -24.9017 50.9664 149.031 50.9671 94.946 GPRESSURE: 941600 292.12 39.1852 118.555 -25.8836 17.2948 82.7067 278.943 31.634 70.2413 PRESSAVG: 941600 -2.15124 -15.7584 14.0283 -15.7583 0.371484 -32.251 14.0282 -32.251 44.7017 GPRESSAVG: 941600 -2.14524 -14.0879 12.7548 -16.2196 1.50627 -34.3204 14.1187 -32.6207 43.6168 TIMING: 941600 CPU: 2805.67, 0.0029463/step Wall: 2805.67, 0.0029463/step, 3.32147 hours remaining, 207.359375 MB of memory in use. ENERGY: 941600 721.0032 2086.7233 1951.7520 117.8523 -206405.6802 18009.3198 0.0000 0.0000 33992.2459 -149526.7840 296.8627 -183519.0298 -149435.1564 298.2072 97.1385 126.5521 556218.3665 14.3073 14.3259 PRESSURE: 941800 324.18 -36.7683 -85.3734 -36.7674 -58.0507 77.4636 -85.3734 77.4641 222.646 GPRESSURE: 941800 316.446 -39.5816 -156.619 -148.017 61.9699 109.388 -126.503 -3.05758 211.242 PRESSAVG: 941800 43.5723 17.6273 38.9129 17.6273 -18.3756 -31.122 38.9127 -31.122 13.1679 GPRESSAVG: 941800 43.6967 16.9575 40.0663 19.4445 -19.1183 -28.2622 39.2099 -30.1301 14.1629 TIMING: 941800 CPU: 2806.27, 0.00297544/step Wall: 2806.27, 0.00297544/step, 3.35415 hours remaining, 207.359375 MB of memory in use. ENERGY: 941800 730.9109 2132.4893 1924.8835 116.2353 -206503.7569 18052.0640 0.0000 0.0000 34167.2189 -149379.9549 298.3908 -183547.1738 -149278.1052 298.7928 162.9248 196.5528 557106.6147 12.7882 12.9138 PRESSURE: 942000 -86.5138 -76.3855 -84.889 -76.3854 -150.096 78.397 -84.8887 78.3973 -317.142 GPRESSURE: 942000 -50.3711 -64.0724 -114.347 11.1982 -117.289 124.037 -93.8335 -97.2396 -287.238 PRESSAVG: 942000 25.0518 14.5332 20.2108 14.5332 -27.5845 -5.65083 20.2108 -5.65085 -21.1361 GPRESSAVG: 942000 25.7446 12.6717 20.6107 16.1471 -28.0799 -8.37094 20.3832 -7.0165 -21.7217 TIMING: 942000 CPU: 2806.86, 0.00296573/step Wall: 2806.86, 0.00296573/step, 3.34304 hours remaining, 207.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 942000 774.8304 2116.6573 1911.6992 121.6588 -206466.2187 17717.9749 0.0000 0.0000 34384.6320 -149438.7661 300.2895 -183823.3981 -149342.5106 299.3708 -184.5838 -151.6328 556892.0845 -7.8896 -8.0190 PRESSURE: 942200 -172.85 192.894 110.808 192.894 -249.904 -17.3565 110.808 -17.3558 -280.454 GPRESSURE: 942200 -148.506 161.699 35.6939 123.288 -179.952 -41.6377 174.93 40.3973 -271.92 PRESSAVG: 942200 54.5449 4.77736 -3.10552 4.77731 -74.1394 -22.2467 -3.1055 -22.2467 2.70193 GPRESSAVG: 942200 52.5301 6.03124 -2.62758 2.47782 -72.9192 -20.2142 -3.08492 -23.4539 3.56048 TIMING: 942200 CPU: 2807.46, 0.00299639/step Wall: 2807.46, 0.00299639/step, 3.37743 hours remaining, 207.359375 MB of memory in use. ENERGY: 942200 733.1199 2151.6683 1908.2041 117.7383 -206167.3953 17516.8698 0.0000 0.0000 34298.6911 -149441.1038 299.5390 -183739.7949 -149346.4821 299.2358 -234.4028 -200.1259 557513.9373 -5.6308 -5.6095 PRESSURE: 942400 168.679 -61.3049 192.246 -61.3051 137.203 -9.11102 192.245 -9.11188 324.031 GPRESSURE: 942400 246.802 -131.462 244.167 -33.6928 177.412 -80.0238 132.052 71.0372 296.864 PRESSAVG: 942400 40.088 24.2014 4.93776 24.2014 -12.5193 42.69 4.93776 42.6898 -1.90237 GPRESSAVG: 942400 41.3482 23.6142 3.29463 24.2893 -13.8699 42.3736 3.09432 43.8958 -2.05629 TIMING: 942400 CPU: 2808.06, 0.00303228/step Wall: 2808.06, 0.00303228/step, 3.41772 hours remaining, 207.359375 MB of memory in use. ENERGY: 942400 752.9769 2150.0007 1932.0349 128.4681 -206874.7319 18222.3138 0.0000 0.0000 34194.8918 -149494.0456 298.6325 -183688.9374 -149405.5306 299.0162 209.9709 240.3591 554310.4608 8.5555 8.4740 PRESSURE: 942600 -113.046 61.3885 -57.3595 61.389 -189.064 -4.963 -57.3597 -4.96335 -159.109 GPRESSURE: 942600 -32.885 81.6219 -114.944 80.0609 -155.832 -24.2299 -42.4204 -87.3956 -174.01 PRESSAVG: 942600 9.96924 41.2244 50.7495 41.2243 53.2443 45.2974 50.7495 45.2975 -6.93749 GPRESSAVG: 942600 9.36604 42.1911 52.7355 40.2223 52.7899 42.5648 50.3678 47.4047 -5.87655 TIMING: 942600 CPU: 2808.67, 0.00300128/step Wall: 2808.67, 0.00300128/step, 3.38261 hours remaining, 207.359375 MB of memory in use. ENERGY: 942600 756.8755 2108.0779 1922.9372 117.4868 -205981.8543 17530.8319 0.0000 0.0000 33908.3503 -149637.2948 296.1301 -183545.6451 -149539.7796 298.4733 -153.7395 -120.9089 556268.9955 18.7587 18.7598 PRESSURE: 942800 -3.76839 135.194 162.197 135.193 -70.9921 -36.5419 162.197 -36.5414 -138.425 GPRESSURE: 942800 55.9029 77.7688 119.081 81.6866 -49.1423 -31.6017 164.266 -50.754 -119.004 PRESSAVG: 942800 -46.3576 -29.1312 -20.3826 -29.1313 108.763 -17.5657 -20.3826 -17.5658 -65.0467 GPRESSAVG: 942800 -46.6532 -30.8897 -22.39 -29.9367 108.536 -15.4509 -17.41 -19.0013 -64.9612 TIMING: 942800 CPU: 2809.26, 0.00299664/step Wall: 2809.26, 0.00299664/step, 3.37722 hours remaining, 207.359375 MB of memory in use. ENERGY: 942800 743.8474 2141.3100 1945.1376 102.7632 -206323.2763 17561.6017 0.0000 0.0000 34229.7569 -149598.8595 298.9370 -183828.6164 -149500.6883 297.8142 -71.0618 -37.4143 555594.7034 -0.8805 -1.0261 PRESSURE: 943000 -52.2276 -246.799 -119.397 -246.799 291.822 -184.069 -119.398 -184.07 75.4525 GPRESSURE: 943000 -2.94937 -195.556 -115.851 -225.438 272.079 -171.042 -78.1728 -110.928 142.395 PRESSAVG: 943000 -51.8819 35.7023 43.7834 35.7023 24.0316 -4.21645 43.7834 -4.2165 11.6829 GPRESSAVG: 943000 -51.178 38.2885 44.2495 35.0901 25.049 -3.25122 42.5745 -4.35754 10.0546 TIMING: 943000 CPU: 2809.87, 0.00300528/step Wall: 2809.87, 0.00300528/step, 3.38678 hours remaining, 207.359375 MB of memory in use. ENERGY: 943000 759.0198 2083.3017 1930.6091 117.5968 -206701.8255 17992.2031 0.0000 0.0000 34121.7241 -149697.3710 297.9935 -183819.0951 -149598.9850 297.8345 105.0155 137.1749 555347.6233 -5.3892 -5.3581 PRESSURE: 943200 -35.8428 -122.011 -49.0355 -122.011 -215.191 -158.607 -49.0366 -158.607 -36.5346 GPRESSURE: 943200 -21.1471 -157.238 -38.579 -219.179 -195.715 -61.6675 -62.3178 -221.83 39.7393 PRESSAVG: 943200 -25.649 -19.0815 -13.0111 -19.0814 -63.0821 4.79605 -13.0111 4.79606 90.8327 GPRESSAVG: 943200 -26.5188 -20.709 -12.4021 -18.5256 -63.1807 3.7066 -13.0102 5.87823 91.2458 TIMING: 943200 CPU: 2810.46, 0.00299506/step Wall: 2810.46, 0.00299506/step, 3.3751 hours remaining, 207.359375 MB of memory in use. ENERGY: 943200 825.6020 2074.0092 1909.1762 95.4369 -206418.7636 17893.2106 0.0000 0.0000 34090.9104 -149530.4183 297.7244 -183621.3288 -149434.9248 297.4480 -95.8561 -59.0409 557115.1664 0.7005 0.5154 PRESSURE: 943400 -387.339 74.7024 4.1755 74.703 -325.226 -12.3581 4.17579 -12.3602 -295.686 GPRESSURE: 943400 -333.713 121.37 17.73 111.231 -369.855 -7.77149 78.0577 -26.5662 -212.343 PRESSAVG: 943400 10.5049 -5.15772 46.683 -5.15764 -27.0661 -17.5502 46.683 -17.5502 -1.61223 GPRESSAVG: 943400 11.939 -4.63869 46.7745 -4.30584 -27.6 -16.4124 48.5804 -20.4194 -2.20718 TIMING: 943400 CPU: 2811.07, 0.00300781/step Wall: 2811.07, 0.00300781/step, 3.3893 hours remaining, 207.359375 MB of memory in use. ENERGY: 943400 729.3601 2168.0647 1920.9098 115.1387 -205945.9803 17202.0140 0.0000 0.0000 34248.2001 -149562.2928 299.0980 -183810.4929 -149463.7532 298.5021 -336.0832 -305.3037 557161.9980 -6.0578 -5.9560 PRESSURE: 943600 60.3379 -94.9269 2.1282 -94.9276 -160.096 -71.8072 2.12717 -71.8072 -57.6649 GPRESSURE: 943600 95.6885 -93.6226 40.9585 -39.0437 -113.406 -19.8248 10.0137 -20.9038 -51.1926 PRESSAVG: 943600 -12.494 15.2443 21.1005 15.2443 -86.009 6.68415 21.1005 6.68404 76.9944 GPRESSAVG: 943600 -12.7307 11.6729 20.7127 16.3873 -84.9003 5.17742 22.1029 7.79341 76.8338 TIMING: 943600 CPU: 2811.67, 0.00300579/step Wall: 2811.67, 0.00300579/step, 3.38686 hours remaining, 207.359375 MB of memory in use. ENERGY: 943600 772.7570 2098.9848 1920.4702 120.7529 -206446.3216 17816.2496 0.0000 0.0000 34129.1138 -149587.9933 298.0580 -183717.1071 -149494.1234 298.3226 -52.4743 -22.9699 556416.1849 -7.1695 -6.9324 PRESSURE: 943800 -37.7583 -109.377 -25.2713 -109.376 134.954 -110.832 -25.2699 -110.831 -53.9347 GPRESSURE: 943800 12.8355 -24.8758 -83.9114 -135.185 137.497 -53.7371 37.3243 -121.991 -16.1804 PRESSAVG: 943800 101.264 52.4438 -31.3387 52.4437 -85.8903 -7.20676 -31.3387 -7.20673 10.5774 GPRESSAVG: 943800 100.634 55.9607 -31.2837 52.8002 -87.3894 -5.37804 -31.8271 -7.30246 12.34 TIMING: 943800 CPU: 2812.27, 0.00300322/step Wall: 2812.27, 0.00300322/step, 3.38379 hours remaining, 207.359375 MB of memory in use. ENERGY: 943800 747.0337 2120.8625 1941.3783 104.9064 -206471.2205 17769.9321 0.0000 0.0000 34259.0890 -149528.0185 299.1931 -183787.1075 -149433.3997 298.3193 14.4202 44.7172 555793.4367 8.6504 8.5281 PRESSURE: 944000 -173.693 -28.9945 -169.013 -28.9953 -130.399 -4.84604 -169.012 -4.84407 9.14604 GPRESSURE: 944000 -137.181 17.2022 -172.218 -29.1793 -56.9429 -2.58166 -196.776 -53.213 -8.53241 PRESSAVG: 944000 75.1897 10.2363 -12.8857 10.2362 -45.1608 19.0034 -12.8858 19.0034 14.6006 GPRESSAVG: 944000 76.9352 10.5736 -12.2194 9.76273 -45.2973 19.0632 -14.9354 17.6423 12.7249 TIMING: 944000 CPU: 2812.88, 0.00305111/step Wall: 2812.88, 0.00305111/step, 3.43759 hours remaining, 207.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 944000 751.3364 2117.8361 1913.5449 102.2042 -206234.1112 17612.9955 0.0000 0.0000 34218.7426 -149517.4515 298.8408 -183736.1941 -149418.6828 298.0620 -98.3156 -67.5520 557038.4639 14.8765 14.7876 PRESSURE: 944200 -16.4235 12.3053 69.0268 12.3078 -83.9991 96.2515 69.0249 96.2504 143.471 GPRESSURE: 944200 -3.6712 -6.69627 73.4789 29.9456 19.0885 39.8855 97.7399 79.7835 124.829 PRESSAVG: 944200 4.44651 -27.2181 -35.1207 -27.2181 15.2583 40.1309 -35.1207 40.1309 44.7678 GPRESSAVG: 944200 4.01216 -27.8898 -35.5821 -25.5612 15.7473 40.0347 -35.1591 40.6596 44.7497 TIMING: 944200 CPU: 2813.49, 0.00305343/step Wall: 2813.49, 0.00305343/step, 3.44003 hours remaining, 207.359375 MB of memory in use. ENERGY: 944200 740.6193 2124.6699 1930.7861 109.1670 -206251.9901 17829.0361 0.0000 0.0000 34006.6428 -149511.0689 296.9885 -183517.7116 -149416.5299 299.5482 14.3496 46.7489 556978.5876 21.4908 21.5031 LDB: ============= START OF LOAD BALANCING ============== 2817.04 LDB: ============== END OF LOAD BALANCING =============== 2817.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2817.04 LDB: ============= START OF LOAD BALANCING ============== 2817.35 LDB: Largest compute 4773 load 0.027010 is 22.8% of average load 0.118223 LDB: Average compute 0.001738 is 1.5% of average load 0.118223 LDB: TIME 2817.35 LOAD: AVG 0.118223 MAX 0.210717 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.645 MB LDB: TIME 2817.35 LOAD: AVG 0.118223 MAX 0.210717 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.645 MB LDB: TIME 2817.35 LOAD: AVG 0.118223 MAX 0.210717 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.645 MB LDB: ============== END OF LOAD BALANCING =============== 2817.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2817.35 PRESSURE: 944400 -47.3473 -107.148 -3.80128 -107.147 134.694 13.4874 -3.79899 13.4874 -18.3809 GPRESSURE: 944400 15.618 -77.8884 17.9964 -208.003 100.828 119.678 -24.6377 -36.7969 50.6739 PRESSAVG: 944400 -52.7667 -4.13142 -12.5839 -4.13136 50.8259 5.63616 -12.5839 5.63618 -13.6436 GPRESSAVG: 944400 -52.6854 -3.01625 -14.3009 -8.18572 51.7072 3.94562 -11.3152 6.71615 -13.8925 TIMING: 944400 CPU: 2814.1, 0.00307928/step Wall: 2814.1, 0.00307928/step, 3.46898 hours remaining, 208.187500 MB of memory in use. ENERGY: 944400 728.9447 2118.0628 1904.0907 112.9139 -206199.1837 17818.8899 0.0000 0.0000 34056.7270 -149459.5547 297.4259 -183516.2817 -149359.0313 298.7614 22.9887 55.7065 557919.5127 -5.1948 -4.9569 PRESSURE: 944600 -141.117 -14.8105 74.4661 -14.8091 -208.079 104.081 74.4651 104.08 -247.686 GPRESSURE: 944600 -82.3608 2.4752 167.901 -18.6154 -184.372 66.0263 -36.5046 104.725 -232.781 PRESSAVG: 944600 -7.3861 -0.178337 -51.5718 -0.178326 11.2972 62.3311 -51.5718 62.3311 -10.8126 GPRESSAVG: 944600 -7.66589 -0.520589 -48.5971 1.94379 10.5799 62.3849 -51.0327 63.1942 -9.64612 TIMING: 944600 CPU: 2814.7, 0.00300074/step Wall: 2814.7, 0.00300074/step, 3.38034 hours remaining, 208.187500 MB of memory in use. ENERGY: 944600 726.8206 2075.9512 1921.4293 119.3965 -206153.2287 17566.1214 0.0000 0.0000 34319.9310 -149423.5787 299.7245 -183743.5097 -149328.8922 298.7354 -198.9605 -166.5046 557604.4352 -2.3005 -2.2440 PRESSURE: 944800 -85.1535 -62.8316 -55.2746 -62.8311 -273.379 84.5704 -55.275 84.569 160.487 GPRESSURE: 944800 -32.0731 -26.7222 -130.795 -117.445 -214.629 88.2435 -33.8409 16.6209 156.961 PRESSAVG: 944800 18.7822 43.0388 -11.3602 43.0388 -8.01197 13.0363 -11.3602 13.0363 0.00977035 GPRESSAVG: 944800 19.2402 42.5113 -14.3027 41.7182 -7.97794 12.1203 -14.0167 12.1607 -0.273371 TIMING: 944800 CPU: 2815.31, 0.00302179/step Wall: 2815.31, 0.00302179/step, 3.40387 hours remaining, 208.187500 MB of memory in use. ENERGY: 944800 749.7828 2125.2729 1882.0646 102.0960 -206121.7933 17808.7984 0.0000 0.0000 34147.2157 -149306.5629 298.2161 -183453.7786 -149215.8618 298.6202 -66.0153 -29.9138 557355.5965 3.5933 3.6630 PRESSURE: 945000 -31.1504 42.0723 178.319 42.0726 109.524 -133.278 178.319 -133.28 244.103 GPRESSURE: 945000 17.0094 -42.3791 208.28 114.392 116.259 -73.0278 98.5079 -133.069 294.071 PRESSAVG: 945000 4.60633 3.62265 3.61485 3.62267 17.4779 -29.4062 3.61479 -29.4061 24.8906 GPRESSAVG: 945000 5.56954 3.61871 5.82673 4.25799 16.7916 -27.9574 3.96058 -29.8915 24.903 TIMING: 945000 CPU: 2815.91, 0.00302064/step Wall: 2815.91, 0.00302064/step, 3.40242 hours remaining, 208.187500 MB of memory in use. ENERGY: 945000 752.9874 2097.2571 1903.2301 121.5666 -206563.9323 18237.3369 0.0000 0.0000 34236.3031 -149215.2510 298.9942 -183451.5541 -149123.7999 299.2107 107.4924 142.4464 557338.6143 15.6583 15.7547 PRESSURE: 945200 105.592 15.9312 -67.4688 15.9317 87.3277 -382.955 -67.4687 -382.954 -2.60841 GPRESSURE: 945200 141.105 -30.9214 -86.0224 65.4885 67.5673 -453.419 -78.8959 -351.797 78.8737 PRESSAVG: 945200 57.5181 2.20999 -0.272466 2.21 -7.24199 -25.384 -0.272535 -25.3839 -10.5861 GPRESSAVG: 945200 56.1022 2.21446 -1.44601 2.4946 -5.55411 -24.3954 0.14981 -25.7953 -10.1632 TIMING: 945200 CPU: 2816.52, 0.00302378/step Wall: 2816.52, 0.00302378/step, 3.40578 hours remaining, 208.187500 MB of memory in use. ENERGY: 945200 710.3300 2062.2883 1930.2423 113.0632 -206431.9970 17887.0140 0.0000 0.0000 34429.6615 -149299.3977 300.6828 -183729.0592 -149205.8589 300.0857 63.4370 95.8488 556442.1055 13.2300 13.4616 PRESSURE: 945400 191.492 179.992 149.079 179.99 64.2044 -157.592 149.078 -157.592 57.9775 GPRESSURE: 945400 221.647 199.558 159.344 91.8565 44.3573 -91.7694 185.528 -199.57 134.36 PRESSAVG: 945400 51.7487 25.9628 -18.5736 25.9628 -31.3453 -49.47 -18.5736 -49.4698 15.121 GPRESSAVG: 945400 52.222 27.4436 -17.3088 25.4245 -32.2144 -51.2326 -18.5514 -47.659 15.082 TIMING: 945400 CPU: 2817.12, 0.00300784/step Wall: 2817.12, 0.00300784/step, 3.38766 hours remaining, 208.187500 MB of memory in use. ENERGY: 945400 775.0733 2097.5043 1919.5388 101.0305 -206251.5185 17996.3540 0.0000 0.0000 34182.5338 -149179.4836 298.5246 -183362.0174 -149086.2343 299.5075 104.5580 133.4549 557531.6392 11.8415 11.6965 PRESSURE: 945600 199.852 -109.054 104.723 -109.054 144.284 -131.423 104.724 -131.423 70.7286 GPRESSURE: 945600 177.713 -139.701 77.5826 -59.2567 203.782 -116.496 54.1694 -85.8546 117.928 PRESSAVG: 945600 66.5777 43.6873 21.2369 43.6873 -5.71369 -109.945 21.237 -109.945 -24.6383 GPRESSAVG: 945600 66.9196 41.1102 20.9649 43.9424 -4.74287 -109.631 20.3738 -110.457 -25.1476 TIMING: 945600 CPU: 2817.71, 0.00297237/step Wall: 2817.71, 0.00297237/step, 3.34754 hours remaining, 208.187500 MB of memory in use. ENERGY: 945600 748.9201 2107.8576 1908.2001 103.9233 -206083.3597 17924.5675 0.0000 0.0000 34043.7731 -149246.1180 297.3127 -183289.8911 -149151.3970 299.2094 138.2882 166.4747 557294.5347 12.0753 12.3430 PRESSURE: 945800 -167.817 -36.1429 120.233 -36.1412 7.46239 -114.19 120.231 -114.189 -187.583 GPRESSURE: 945800 -123.438 40.4568 201.89 49.901 15.6147 -91.7988 74.5439 -75.728 -148.686 PRESSAVG: 945800 10.2725 -29.8068 0.900652 -29.8068 -14.1423 31.5904 0.900625 31.5904 -1.94275 GPRESSAVG: 945800 9.59984 -29.5853 0.0900616 -29.8344 -14.1113 32.2705 2.01601 30.8591 -1.43148 TIMING: 945800 CPU: 2818.31, 0.00298477/step Wall: 2818.31, 0.00298477/step, 3.36135 hours remaining, 208.187500 MB of memory in use. ENERGY: 945800 764.2750 2077.8735 1924.7463 108.2962 -206170.2125 17667.5155 0.0000 0.0000 34088.4040 -149539.1021 297.7025 -183627.5061 -149455.2181 298.0312 -115.9794 -85.5032 555992.0987 -1.9375 -1.9810 PRESSURE: 946000 -285.195 -126.726 127.214 -126.726 128.897 118.023 127.213 118.023 47.2852 GPRESSURE: 946000 -295.081 -166.462 115.362 -167.294 193.105 18.4753 64.7837 96.8702 96.6115 PRESSAVG: 946000 -47.0983 21.7822 42.6427 21.7822 20.8987 -13.7908 42.6427 -13.7907 10.4202 GPRESSAVG: 946000 -45.7818 23.4072 42.5903 21.8346 20.9642 -15.0069 42.8304 -11.6539 8.89921 TIMING: 946000 CPU: 2818.91, 0.00299615/step Wall: 2818.91, 0.00299615/step, 3.374 hours remaining, 208.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 946000 731.1052 2093.1765 1918.5570 119.4088 -206262.0764 17822.0329 0.0000 0.0000 34348.1049 -149229.6910 299.9705 -183577.7960 -149130.9320 298.6764 -36.3376 -1.7882 556547.3463 -5.2598 -5.3061 PRESSURE: 946200 49.7502 -128.493 -66.279 -128.492 61.9721 65.1143 -66.2785 65.1139 -144.685 GPRESSURE: 946200 119.942 -115.431 -26.3857 -6.07521 38.4772 63.7005 8.70982 55.1614 -99.5286 PRESSAVG: 946200 28.8717 -29.723 -2.02138 -29.7231 -14.1148 13.1924 -2.02132 13.1923 -24.3754 GPRESSAVG: 946200 27.7022 -31.2294 -2.20144 -29.5232 -15.4866 14.5771 -3.72074 11.7457 -21.1633 TIMING: 946200 CPU: 2819.51, 0.0029847/step Wall: 2819.51, 0.0029847/step, 3.36094 hours remaining, 208.187500 MB of memory in use. ENERGY: 946200 710.4294 2067.0431 1929.9967 119.5754 -206118.5489 17765.1596 0.0000 0.0000 34278.6061 -149247.7386 299.3636 -183526.3447 -149150.2658 299.4640 -10.9877 19.6303 557494.3468 -3.2062 -2.9826 PRESSURE: 946400 -82.3011 -174.719 -31.4745 -174.718 62.3788 -67.8872 -31.4746 -67.8884 -65.881 GPRESSURE: 946400 -40.6876 -142.372 23.517 -205.222 50.9549 -5.6407 -34.2504 -47.8016 -2.94389 PRESSAVG: 946400 -8.60708 -69.7715 -7.22846 -69.7714 56.8352 33.2438 -7.22845 33.2437 -38.0971 GPRESSAVG: 946400 -7.92059 -69.5362 -8.32464 -68.1219 56.4659 33.4393 -2.72198 33.02 -39.3874 TIMING: 946400 CPU: 2820.1, 0.00298456/step Wall: 2820.1, 0.00298456/step, 3.36062 hours remaining, 208.187500 MB of memory in use. ENERGY: 946400 774.3634 2101.8765 1937.2659 112.9873 -206229.2503 17838.3451 0.0000 0.0000 34221.4772 -149242.9348 298.8647 -183464.4120 -149140.0075 298.4993 -28.6011 2.4411 556075.6620 3.3770 3.0526 PRESSURE: 946600 140.153 -224.575 -206.228 -224.574 168.976 -22.7239 -206.228 -22.7232 -18.2554 GPRESSURE: 946600 186.512 -167.062 -239.334 -219.003 247.218 -53.8948 -144.18 1.39062 -49.6776 PRESSAVG: 946600 30.2633 -38.0693 -22.7364 -38.0694 5.8225 20.6334 -22.7363 20.6332 13.9648 GPRESSAVG: 946600 31.3101 -37.7145 -21.792 -39.9322 5.51359 21.6986 -24.9476 22.1918 12.583 TIMING: 946600 CPU: 2820.7, 0.00296294/step Wall: 2820.7, 0.00296294/step, 3.33611 hours remaining, 208.187500 MB of memory in use. ENERGY: 946600 753.9875 2106.4411 1919.2533 121.9458 -206308.7782 17999.9076 0.0000 0.0000 34394.3519 -149012.8910 300.3744 -183407.2428 -148921.3364 299.4953 96.9580 128.0174 556479.1773 16.6835 16.4689 PRESSURE: 946800 -310.991 -47.9122 -59.1048 -47.9133 -187.719 15.0516 -59.1061 15.0528 -422.222 GPRESSURE: 946800 -206.161 -43.997 -51.239 -109.541 -193.149 51.249 -106.314 31.888 -424.638 PRESSAVG: 946800 -40.8136 -40.3699 -80.5747 -40.3699 50.2777 24.228 -80.5747 24.228 -6.83795 GPRESSAVG: 946800 -41.5971 -40.594 -79.6201 -40.6149 51.0975 22.1516 -82.4731 24.0863 -7.09443 TIMING: 946800 CPU: 2821.29, 0.00298216/step Wall: 2821.29, 0.00298216/step, 3.35758 hours remaining, 208.187500 MB of memory in use. ENERGY: 946800 745.4791 2114.2987 1950.4927 104.7730 -205658.9081 17386.5442 0.0000 0.0000 34147.6603 -149209.6602 298.2200 -183357.3205 -149117.4444 299.8880 -306.9773 -274.6491 559485.4423 0.8754 0.8020 PRESSURE: 947000 53.8277 17.9364 -11.9199 17.9363 88.4256 -45.0503 -11.9196 -45.0515 6.37452 GPRESSURE: 947000 105.95 83.716 47.9559 3.07831 80.4618 -11.0324 -78.3503 -39.836 62.9413 PRESSAVG: 947000 -0.319875 5.75801 -8.87941 5.75795 30.2897 3.07464 -8.87933 3.07475 -10.5528 GPRESSAVG: 947000 0.021757 6.21971 -9.052 7.11913 29.8731 6.56496 -6.85362 2.12669 -10.6752 TIMING: 947000 CPU: 2821.89, 0.00296702/step Wall: 2821.89, 0.00296702/step, 3.34037 hours remaining, 208.187500 MB of memory in use. ENERGY: 947000 707.9762 2092.6507 1943.7866 115.9378 -206139.0375 17875.7910 0.0000 0.0000 34250.6288 -149152.2664 299.1193 -183402.8952 -149052.6282 299.8962 49.5426 83.1176 557746.8352 6.4723 6.4066 PRESSURE: 947200 -170.39 41.0238 93.3671 41.0236 117.186 55.9523 93.3671 55.9501 -156.463 GPRESSURE: 947200 -72.785 4.9598 148.571 13.3644 112.353 79.0322 57.2497 153.619 -156.964 PRESSAVG: 947200 71.2727 6.92913 59.2742 6.92913 -41.071 14.6749 59.2743 14.6749 -86.7623 GPRESSAVG: 947200 70.7556 7.80594 59.419 6.33295 -41.4661 11.5088 59.4572 15.7965 -85.7694 TIMING: 947200 CPU: 2822.48, 0.00297019/step Wall: 2822.48, 0.00297019/step, 3.34378 hours remaining, 208.187500 MB of memory in use. ENERGY: 947200 765.7953 2083.5454 1941.8254 113.4025 -206143.8265 17777.5189 0.0000 0.0000 34089.8101 -149371.9288 297.7148 -183461.7389 -149283.5240 299.1210 -69.8889 -39.1321 557253.3922 -18.8535 -18.8266 PRESSURE: 947400 -6.64779 -75.2897 37.3327 -75.2886 -96.4462 216.541 37.3341 216.541 -247.495 GPRESSURE: 947400 32.6852 -81.1888 67.4193 -141.576 -38.1791 234.548 43.0557 220.855 -237.976 PRESSAVG: 947400 -0.280749 -5.27698 0.003022 -5.2769 11.1715 52.6772 0.00308288 52.6773 24.5475 GPRESSAVG: 947400 -1.09426 -6.04144 -0.849804 -5.47537 11.9923 53.1264 -0.516157 51.1238 24.0496 TIMING: 947400 CPU: 2823.08, 0.00299/step Wall: 2823.08, 0.00299/step, 3.3659 hours remaining, 208.187500 MB of memory in use. ENERGY: 947400 730.9545 2127.1000 1929.5846 113.9815 -206045.5036 17464.9936 0.0000 0.0000 34183.7311 -149495.1583 298.5350 -183678.8893 -149400.4854 299.0635 -116.8631 -81.1565 557863.3457 11.8128 11.6492 PRESSURE: 947600 10.0337 61.0808 -26.5481 61.0801 -333.534 103.766 -26.5493 103.766 -154.514 GPRESSURE: 947600 -23.5521 120.605 -81.0547 94.8715 -249.944 111.892 27.3074 153.732 -103.293 PRESSAVG: 947600 37.4729 -25.4272 40.0799 -25.4272 -42.0601 52.8241 40.0799 52.8241 -13.1816 GPRESSAVG: 947600 36.9342 -25.2052 41.9937 -26.0208 -42.0245 52.3233 40.8518 54.5435 -12.8257 TIMING: 947600 CPU: 2823.68, 0.002998/step Wall: 2823.68, 0.002998/step, 3.37475 hours remaining, 208.187500 MB of memory in use. ENERGY: 947600 726.6515 2081.5027 1902.5780 109.6355 -206293.1540 17652.3042 0.0000 0.0000 34226.7049 -149593.7771 298.9103 -183820.4820 -149488.8825 298.5853 -159.3378 -125.5962 558063.4467 -5.9229 -5.9720 PRESSURE: 947800 183.003 -208.853 1.94143 -208.855 57.4425 -32.0855 1.94244 -32.0852 135.805 GPRESSURE: 947800 247.627 -203.516 7.5152 -220.612 45.4604 42.2461 -17.6552 -68.9833 186.496 PRESSAVG: 947800 -0.493615 -47.6569 -7.34912 -47.6569 25.8026 -16.9095 -7.34917 -16.9096 -41.3014 GPRESSAVG: 947800 0.0419935 -45.9128 -8.71716 -49.26 25.1638 -16.0693 -7.43262 -17.2657 -40.9188 TIMING: 947800 CPU: 2824.27, 0.0029749/step Wall: 2824.27, 0.0029749/step, 3.34858 hours remaining, 208.187500 MB of memory in use. ENERGY: 947800 751.7380 2109.4212 1922.4613 108.6936 -206464.7978 17998.2477 0.0000 0.0000 34119.1973 -149455.0387 297.9714 -183574.2360 -149354.5231 298.6317 125.4168 159.8612 556908.4597 -5.3308 -5.2377 PRESSURE: 948000 44.0018 48.5679 35.0177 48.5679 172.307 89.4996 35.0189 89.4978 55.2285 GPRESSURE: 948000 43.5677 -18.2072 -24.6152 55.5833 235.112 48.9918 68.0189 78.3957 84.5871 PRESSAVG: 948000 15.5473 24.4553 -10.5687 24.4553 -11.8943 35.1656 -10.5686 35.1655 5.83681 GPRESSAVG: 948000 14.7919 20.8615 -10.3003 26.7966 -10.5438 34.8173 -11.6626 32.819 5.06684 TIMING: 948000 CPU: 2824.87, 0.00298906/step Wall: 2824.87, 0.00298906/step, 3.36435 hours remaining, 208.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 948000 729.2108 2149.8198 1907.7558 101.5446 -206786.6484 18147.2755 0.0000 0.0000 34377.9282 -149373.1137 300.2310 -183751.0419 -149276.9346 299.2642 90.5126 121.0889 558109.9355 3.1633 3.1050 PRESSURE: 948200 16.7558 160.106 -19.034 160.106 -171.923 11.1401 -19.0338 11.1374 142.778 GPRESSURE: 948200 35.8134 96.3724 -10.4026 194.808 -88.2621 41.8196 -125.625 44.0579 144.488 PRESSAVG: 948200 -67.7437 37.0226 -79.9915 37.0226 32.5838 -30.7408 -79.9914 -30.7408 40.6584 GPRESSAVG: 948200 -66.5012 37.9872 -81.1481 37.0476 31.5549 -32.5544 -78.8016 -28.6122 39.9533 TIMING: 948200 CPU: 2825.47, 0.00301033/step Wall: 2825.47, 0.00301033/step, 3.38813 hours remaining, 208.187500 MB of memory in use. ENERGY: 948200 760.5907 2096.1218 1960.6095 110.3273 -206470.9814 17939.0957 0.0000 0.0000 34390.6627 -149213.5737 300.3422 -183604.2364 -149112.3089 299.1014 -4.1296 30.6798 557978.1188 1.8328 1.6690 LDB: ============= START OF LOAD BALANCING ============== 2829.02 LDB: ============== END OF LOAD BALANCING =============== 2829.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2829.03 LDB: ============= START OF LOAD BALANCING ============== 2829.33 LDB: Largest compute 4773 load 0.026403 is 22.4% of average load 0.118113 LDB: Average compute 0.001741 is 1.5% of average load 0.118113 LDB: TIME 2829.33 LOAD: AVG 0.118113 MAX 0.208448 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.477 MB LDB: TIME 2829.33 LOAD: AVG 0.118113 MAX 0.208448 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.551 MB LDB: TIME 2829.33 LOAD: AVG 0.118113 MAX 0.208448 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.551 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2829.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2829.34 PRESSURE: 948400 10.863 24.9307 89.5272 24.93 141.665 -151.624 89.527 -151.624 84.5189 GPRESSURE: 948400 20.3145 -11.701 41.4007 12.4384 154.159 -134.126 124.779 -165.447 164.135 PRESSAVG: 948400 15.5497 10.1806 33.5719 10.1806 3.3908 7.85005 33.5719 7.85002 -30.2179 GPRESSAVG: 948400 15.2333 9.1825 33.0874 11.86 2.46674 9.72431 33.4474 6.98978 -28.5886 TIMING: 948400 CPU: 2826.09, 0.00307084/step Wall: 2826.09, 0.00307084/step, 3.45606 hours remaining, 207.277344 MB of memory in use. ENERGY: 948400 778.5576 2072.4641 1949.1745 115.3106 -206443.4730 18015.9886 0.0000 0.0000 34131.3492 -149380.6284 298.0776 -183511.9776 -149287.9353 298.5968 79.0158 112.8694 557784.7124 -3.7592 -3.6295 PRESSURE: 948600 169.156 23.381 -24.4372 23.3805 51.7366 10.3745 -24.4379 10.3729 86.6808 GPRESSURE: 948600 204.399 25.1125 -75.7306 -42.2171 109.336 15.6501 -4.51556 -52.9296 87.1957 PRESSAVG: 948600 31.4864 -5.63613 -21.7459 -5.63609 -49.6301 -10.7139 -21.7459 -10.7139 6.45606 GPRESSAVG: 948600 30.5569 -5.66689 -18.8269 -7.85913 -47.26 -10.9029 -22.4032 -9.15955 4.96133 TIMING: 948600 CPU: 2826.68, 0.00297295/step Wall: 2826.68, 0.00297295/step, 3.34573 hours remaining, 207.277344 MB of memory in use. ENERGY: 948600 779.3694 2067.5154 1924.0561 120.7883 -206708.7011 18134.2886 0.0000 0.0000 34077.3374 -149605.3459 297.6059 -183682.6833 -149509.0093 298.6695 102.5246 133.6436 556904.3013 -3.8959 -3.9139 PRESSURE: 948800 30.9567 58.7062 -97.5834 58.7048 89.2354 -69.0434 -97.5832 -69.0424 65.4472 GPRESSURE: 948800 102.528 147.335 -119.468 80.898 77.4567 -129.853 -174.368 35.9594 103.248 PRESSAVG: 948800 65.6651 2.85542 22.5098 2.85538 -77.0657 -31.1665 22.5098 -31.1665 -15.1558 GPRESSAVG: 948800 66.657 4.01777 21.0978 3.02538 -79.1972 -30.0023 21.7321 -33.0458 -13.9816 TIMING: 948800 CPU: 2827.28, 0.0029902/step Wall: 2827.28, 0.0029902/step, 3.36497 hours remaining, 207.277344 MB of memory in use. ENERGY: 948800 729.2282 2115.1703 1921.7878 111.5432 -206550.4358 18026.0951 0.0000 0.0000 34031.1193 -149615.4919 297.2022 -183646.6112 -149513.9535 297.7537 61.8798 94.4110 556823.8644 -8.8521 -8.8406 PRESSURE: 949000 -69.6434 -65.342 11.6525 -65.3432 -134.237 5.43688 11.6522 5.43572 -137.449 GPRESSURE: 949000 7.98096 -75.6154 -57.2417 -97.0136 -136.018 -7.5607 13.4921 -37.5173 -106.31 PRESSAVG: 949000 57.8211 31.0541 -61.1697 31.0541 -43.5291 -23.746 -61.1697 -23.746 -16.3327 GPRESSAVG: 949000 58.1462 32.0653 -61.6369 32.842 -42.993 -24.8447 -59.5034 -23.5453 -16.9344 TIMING: 949000 CPU: 2827.88, 0.00298171/step Wall: 2827.88, 0.00298171/step, 3.35525 hours remaining, 207.277344 MB of memory in use. ENERGY: 949000 759.0441 2082.1435 1926.1567 120.2181 -206156.0141 17689.8569 0.0000 0.0000 33932.5080 -149646.0868 296.3410 -183578.5948 -149545.7495 297.7792 -113.7764 -78.1156 558905.4477 -0.6802 -0.5937 PRESSURE: 949200 149.242 -86.1525 105.662 -86.1514 198.341 -56.2904 105.663 -56.2897 -47.7558 GPRESSURE: 949200 215.364 -183.553 83.8915 -52.9482 209.199 15.6172 129.405 -81.4547 -37.3546 PRESSAVG: 949200 7.56655 -34.0437 -18.4338 -34.0437 -3.04194 8.72204 -18.4337 8.72201 -23.1059 GPRESSAVG: 949200 6.34396 -33.6818 -15.9341 -36.3058 -2.66376 8.39051 -20.0221 11.1526 -21.8144 TIMING: 949200 CPU: 2828.47, 0.00298352/step Wall: 2828.47, 0.00298352/step, 3.35712 hours remaining, 207.277344 MB of memory in use. ENERGY: 949200 716.7236 2155.0841 1882.9834 119.2969 -206978.1933 18076.1747 0.0000 0.0000 34422.5759 -149605.3546 300.6209 -184027.9305 -149516.1408 298.0304 99.9423 129.0695 558494.7633 -6.1938 -6.0447 PRESSURE: 949400 27.0479 -48.2268 -42.6439 -48.2268 -108.966 44.5335 -42.6456 44.5336 115.897 GPRESSURE: 949400 38.5391 -115.533 -65.0187 -25.7093 -66.6304 -46.8617 7.64614 38.8088 152.474 PRESSAVG: 949400 32.8366 -13.6532 -41.1593 -13.6532 46.5588 -6.6894 -41.1593 -6.68929 -44.3532 GPRESSAVG: 949400 35.2758 -16.5796 -44.1268 -12.9822 45.546 -7.51884 -39.2559 -8.38035 -45.8913 TIMING: 949400 CPU: 2829.07, 0.00299692/step Wall: 2829.07, 0.00299692/step, 3.37204 hours remaining, 207.277344 MB of memory in use. ENERGY: 949400 720.3151 2102.2203 1940.3518 118.3629 -206617.2027 17964.1137 0.0000 0.0000 34131.9331 -149639.9057 298.0827 -183771.8388 -149544.6611 298.4485 11.3263 41.4610 557676.0383 11.6807 11.6435 PRESSURE: 949600 -322.913 62.5519 -237.081 62.5517 -134.166 64.6575 -237.08 64.6574 -90.3586 GPRESSURE: 949600 -281.749 19.0332 -249.49 68.4113 -108.131 -47.3591 -232.055 138.645 -60.9767 PRESSAVG: 949600 -77.3242 -51.2595 -34.0325 -51.2596 -20.8992 17.5747 -34.0326 17.5747 26.1417 GPRESSAVG: 949600 -79.0508 -51.9122 -34.3145 -49.9077 -18.7881 18.2397 -32.9803 16.6465 25.7185 TIMING: 949600 CPU: 2829.68, 0.00301869/step Wall: 2829.68, 0.00301869/step, 3.39637 hours remaining, 207.402344 MB of memory in use. ENERGY: 949600 768.2707 2106.7784 1946.1067 107.2829 -206461.4753 17827.2933 0.0000 0.0000 34084.6023 -149621.1409 297.6693 -183705.7432 -149525.0657 297.4426 -182.4791 -150.2858 559141.2921 -24.0272 -24.0401 PRESSURE: 949800 -448.635 26.8341 95.0069 26.8328 -341.92 6.99872 95.0074 6.99803 -126.362 GPRESSURE: 949800 -404.285 -6.48951 47.7427 -10.9527 -348.198 -79.1122 93.5933 148.928 -77.9776 PRESSAVG: 949800 -51.7364 -11.2144 -23.4056 -11.2144 -3.29314 -22.9567 -23.4056 -22.9567 56.9055 GPRESSAVG: 949800 -51.6233 -9.748 -24.7274 -13.6163 -4.13058 -22.876 -22.6478 -21.9436 57.4813 TIMING: 949800 CPU: 2830.27, 0.00298524/step Wall: 2830.27, 0.00298524/step, 3.35856 hours remaining, 207.402344 MB of memory in use. ENERGY: 949800 751.0698 2104.9064 1902.8868 112.1334 -205603.1345 17403.8239 0.0000 0.0000 34055.4556 -149272.8587 297.4148 -183328.3143 -149177.7987 298.2943 -305.6388 -276.8202 559152.6434 0.6253 0.5758 PRESSURE: 950000 -98.2723 -10.744 74.8422 -10.7447 -72.3991 40.0196 74.8428 40.0199 -62.63 GPRESSURE: 950000 -40.9188 22.1584 78.9362 57.9358 -71.462 10.4512 94.6179 12.2954 -28.3281 PRESSAVG: 950000 -113.103 -15.1608 -36.4522 -15.1608 41.7951 -14.5142 -36.4521 -14.5143 49.6482 GPRESSAVG: 950000 -113.658 -12.9048 -33.4006 -14.9219 41.4053 -14.6658 -37.9339 -14.7012 51.0589 TIMING: 950000 CPU: 2830.87, 0.0030063/step Wall: 2830.87, 0.0030063/step, 3.38208 hours remaining, 207.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 950000 779.1865 2111.5863 1926.9463 104.6628 -206139.4889 17604.3363 0.0000 0.0000 34131.6793 -149481.0913 298.0804 -183612.7706 -149398.1976 299.0497 -77.7671 -46.9030 557099.6629 -7.2199 -7.0645 PRESSURE: 950200 144.144 -87.0661 -80.6385 -87.0666 -58.0634 37.4498 -80.6384 37.4519 23.9672 GPRESSURE: 950200 209.111 -103.018 -74.3954 -50.2547 -67.2612 -60.7928 -10.095 35.4627 67.1417 PRESSAVG: 950200 -25.0567 13.2965 -12.8552 13.2965 52.18 -30.9927 -12.8554 -30.9926 -18.7357 GPRESSAVG: 950200 -23.8504 10.2356 -14.8099 13.9733 52.1028 -29.6182 -13.5952 -31.8179 -19.6992 TIMING: 950200 CPU: 2831.47, 0.00298202/step Wall: 2831.47, 0.00298202/step, 3.35461 hours remaining, 207.468750 MB of memory in use. ENERGY: 950200 736.9372 2147.5267 1922.2336 111.4517 -206241.3174 17799.6878 0.0000 0.0000 34151.8643 -149371.6160 298.2567 -183523.4804 -149282.7255 298.2255 36.6827 69.6637 556307.4269 2.7959 2.8511 PRESSURE: 950400 -245.422 102.269 56.3346 102.269 -151.578 196.82 56.3337 196.819 -287.114 GPRESSURE: 950400 -236.424 167.372 7.35327 18.4473 -107.202 131.741 100.904 243.234 -229.208 PRESSAVG: 950400 28.8878 -21.3321 6.15218 -21.3321 -35.7608 -12.8944 6.15219 -12.8943 40.7584 GPRESSAVG: 950400 28.3054 -19.5824 5.7937 -21.1202 -35.7469 -15.8708 7.99339 -10.5616 41.1808 TIMING: 950400 CPU: 2832.07, 0.00298784/step Wall: 2832.07, 0.00298784/step, 3.36098 hours remaining, 207.468750 MB of memory in use. ENERGY: 950400 746.8412 2040.7458 1958.4736 119.2065 -206115.7335 17532.5977 0.0000 0.0000 34283.1477 -149434.7210 299.4033 -183717.8687 -149333.5877 299.0096 -228.0380 -190.9442 557254.0483 11.2951 11.2465 PRESSURE: 950600 -154.086 -41.0821 -106.485 -41.0812 -85.0656 -253.601 -106.485 -253.601 -10.2603 GPRESSURE: 950600 -148.239 -30.8621 -142.384 -0.649789 -27.5013 -345.38 -83.263 -261.469 18.7336 PRESSAVG: 950600 -56.7933 13.3948 -58.8441 13.3948 55.5186 -58.0048 -58.8441 -58.0048 37.1711 GPRESSAVG: 950600 -56.4755 14.5255 -56.9847 13.3119 54.971 -54.9402 -59.8381 -61.7191 37.0601 TIMING: 950600 CPU: 2832.66, 0.00296497/step Wall: 2832.66, 0.00296497/step, 3.3351 hours remaining, 207.468750 MB of memory in use. ENERGY: 950600 747.0948 2059.4378 1918.6628 115.1730 -206373.2069 17843.7889 0.0000 0.0000 34171.0012 -149518.0482 298.4239 -183689.0494 -149417.2776 298.8462 -83.1372 -52.3354 557125.6727 11.9655 11.8519 PRESSURE: 950800 143.37 -18.8941 -10.2686 -18.8938 70.1125 -68.3866 -10.2682 -68.3856 148.709 GPRESSURE: 950800 204.496 33.629 -6.53588 -40.3109 91.6963 -45.5033 -70.6414 -47.0308 158.723 PRESSAVG: 950800 -63.0426 -31.7037 -17.1632 -31.7036 -32.1372 17.6138 -17.1632 17.6138 54.6138 GPRESSAVG: 950800 -63.1551 -32.5385 -16.9363 -32.4233 -31.8182 15.839 -17.4291 19.5623 54.2636 TIMING: 950800 CPU: 2833.26, 0.00297558/step Wall: 2833.26, 0.00297558/step, 3.34686 hours remaining, 207.468750 MB of memory in use. ENERGY: 950800 719.2227 2071.8931 1968.2897 103.0666 -206769.0237 18226.5106 0.0000 0.0000 34133.1962 -149546.8447 298.0937 -183680.0409 -149447.9020 298.4233 120.7304 151.6385 557848.8354 -13.5220 -13.5699 PRESSURE: 951000 245.984 -8.26312 -14.4461 -8.26169 282.902 -19.7835 -14.4481 -19.7828 73.8229 GPRESSURE: 951000 210.789 -29.1978 -45.8429 -14.8917 329.364 6.00313 -16.578 -28.2684 159.943 PRESSAVG: 951000 -11.6044 56.9787 10.9826 56.9787 11.5644 -27.8776 10.9825 -27.8777 26.4301 GPRESSAVG: 951000 -11.7466 57.0778 11.5332 57.3574 11.8643 -28.323 11.4187 -27.5618 26.4605 TIMING: 951000 CPU: 2833.85, 0.00296931/step Wall: 2833.85, 0.00296931/step, 3.33965 hours remaining, 207.468750 MB of memory in use. ENERGY: 951000 719.8869 2025.7981 1952.5371 99.5317 -206383.2429 18016.2345 0.0000 0.0000 34143.6701 -149425.5845 298.1852 -183569.2546 -149331.8848 298.7363 200.9028 233.3651 557164.2597 8.7967 8.8594 PRESSURE: 951200 66.8102 25.3642 -178.787 25.3633 -135.553 -100.664 -178.787 -100.665 15.4984 GPRESSURE: 951200 85.1453 11.2356 -227.158 -22.3239 -75.5128 -122.318 -232.911 -17.3762 35.0076 PRESSAVG: 951200 9.45483 -0.780592 13.0859 -0.780564 2.01837 -36.9708 13.086 -36.9707 16.6075 GPRESSAVG: 951200 9.08375 -1.36668 11.8078 -0.0748307 1.10997 -35.3824 12.8447 -38.8306 18.1605 TIMING: 951200 CPU: 2834.45, 0.00300985/step Wall: 2834.45, 0.00300985/step, 3.38507 hours remaining, 207.468750 MB of memory in use. ENERGY: 951200 725.9829 2069.2815 1943.1915 111.5331 -206157.1522 17668.1797 0.0000 0.0000 34087.2536 -149551.7300 297.6925 -183638.9835 -149456.9437 299.0538 -17.7480 14.8800 558035.8919 9.3602 9.4514 PRESSURE: 951400 28.7941 20.2995 42.1221 20.2994 -295.881 -265.693 42.1232 -265.694 -12.3777 GPRESSURE: 951400 130.249 66.7549 40.8465 62.3352 -230.57 -216.887 89.2629 -177.369 -72.6093 PRESSAVG: 951400 -23.1369 10.5898 26.3128 10.5898 -8.69382 -49.7453 26.3128 -49.7453 24.1155 GPRESSAVG: 951400 -22.6583 11.7928 27.4671 9.45706 -7.75432 -49.8781 26.2511 -47.5521 23.148 TIMING: 951400 CPU: 2835.05, 0.00299502/step Wall: 2835.05, 0.00299502/step, 3.36824 hours remaining, 207.468750 MB of memory in use. ENERGY: 951400 731.9468 2064.2675 1900.6828 124.7540 -206210.5032 17703.1069 0.0000 0.0000 34220.1433 -149465.6018 298.8530 -183685.7452 -149371.6241 298.2091 -93.1550 -57.6436 557309.2891 -2.5717 -2.4215 PRESSURE: 951600 -73.2633 -31.1297 -91.9286 -31.1302 -72.1561 71.4925 -91.9299 71.493 -96.621 GPRESSURE: 951600 -38.991 -65.3554 -15.0261 49.9538 -64.6972 59.8702 -177.319 29.4996 -48.8307 PRESSAVG: 951600 -3.61454 -67.9778 27.2734 -67.9778 10.2685 -3.13949 27.2735 -3.13949 10.2619 GPRESSAVG: 951600 -4.29274 -68.5584 26.117 -67.0116 10.9155 -2.82445 27.877 -4.28318 10.4273 TIMING: 951600 CPU: 2835.65, 0.00297648/step Wall: 2835.65, 0.00297648/step, 3.34722 hours remaining, 207.468750 MB of memory in use. ENERGY: 951600 755.4029 2048.4059 1937.2996 119.2559 -206326.0089 17770.5358 0.0000 0.0000 34304.0435 -149391.0653 299.5857 -183695.1088 -149289.1177 298.7965 -80.6801 -50.8397 557079.7914 5.6386 5.6834 PRESSURE: 951800 -150.858 9.4807 71.1506 9.4799 489.615 -213.745 71.1514 -213.745 82.3472 GPRESSURE: 951800 -55.5189 -5.55992 41.3266 11.4871 445.887 -177.404 86.8323 -159.994 139.401 PRESSAVG: 951800 -58.729 -12.2851 31.4298 -12.2851 -11.4162 -32.5024 31.43 -32.5025 77.0158 GPRESSAVG: 951800 -58.6704 -12.733 33.148 -12.0596 -11.62 -33.6927 29.9604 -29.498 76.4483 TIMING: 951800 CPU: 2836.24, 0.00296319/step Wall: 2836.24, 0.00296319/step, 3.33211 hours remaining, 207.468750 MB of memory in use. ENERGY: 951800 772.6814 2043.4094 1931.6088 108.5561 -206268.3013 18005.9602 0.0000 0.0000 34067.1778 -149338.9076 297.5171 -183406.0854 -149246.9660 298.2527 140.3680 176.5895 556174.4819 2.2902 2.0527 PRESSURE: 952000 -227.196 -14.4047 -39.8605 -14.4044 -337.714 -150.769 -39.8615 -150.77 -238.123 GPRESSURE: 952000 -187.424 -11.9403 -41.7322 -39.0509 -314.771 -182.951 18.3061 -115.021 -197.694 PRESSAVG: 952000 -78.7175 -46.1513 -6.77954 -46.1514 18.5425 -39.1919 -6.77952 -39.192 49.1999 GPRESSAVG: 952000 -78.8659 -46.722 -7.79341 -46.9371 18.0983 -38.7105 -6.74059 -42.2168 50.5936 TIMING: 952000 CPU: 2836.83, 0.00295596/step Wall: 2836.83, 0.00295596/step, 3.32381 hours remaining, 207.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 952000 765.6892 2112.6703 1934.8501 109.8903 -205923.6893 17403.1375 0.0000 0.0000 34266.1410 -149331.3109 299.2547 -183597.4519 -149238.2757 299.1080 -267.6780 -233.2963 557608.2113 -3.6584 -3.3913 PRESSURE: 952200 38.1526 8.44443 14.6145 8.44444 29.602 152.888 14.6134 152.889 87.5058 GPRESSURE: 952200 37.839 81.2151 -18.8722 46.2649 90.1135 125.805 59.3549 150.55 124.232 PRESSAVG: 952200 -39.8169 3.04099 41.4371 3.04091 -9.91487 -16.8685 41.4371 -16.8685 28.5823 GPRESSAVG: 952200 -39.7983 4.32473 39.986 2.98168 -10.2074 -15.9253 42.4448 -15.5249 28.615 TIMING: 952200 CPU: 2837.42, 0.00295016/step Wall: 2837.42, 0.00295016/step, 3.31713 hours remaining, 207.468750 MB of memory in use. ENERGY: 952200 752.4623 2087.5336 1923.4553 114.5888 -206466.7606 17988.9598 0.0000 0.0000 34336.9657 -149262.7952 299.8733 -183599.7608 -149164.5256 299.1834 51.7535 84.0616 558040.5400 -7.0498 -7.1303 LDB: ============= START OF LOAD BALANCING ============== 2840.96 LDB: ============== END OF LOAD BALANCING =============== 2840.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2840.97 LDB: ============= START OF LOAD BALANCING ============== 2841.26 LDB: Largest compute 4773 load 0.027579 is 23.3% of average load 0.118209 LDB: Average compute 0.001728 is 1.5% of average load 0.118209 LDB: TIME 2841.26 LOAD: AVG 0.118209 MAX 0.203678 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 2841.26 LOAD: AVG 0.118209 MAX 0.203678 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: TIME 2841.26 LOAD: AVG 0.118209 MAX 0.203678 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: ============== END OF LOAD BALANCING =============== 2841.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2841.27 PRESSURE: 952400 -67.2886 3.07858 43.7063 3.07786 -157.058 35.6643 43.7059 35.664 -124.142 GPRESSURE: 952400 -15.4752 -0.698938 -20.0403 45.9237 -149.254 -7.36781 61.7356 1.13086 -90.348 PRESSAVG: 952400 -10.8893 -13.0314 55.3249 -13.0315 -29.793 24.4832 55.325 24.4831 68.949 GPRESSAVG: 952400 -10.5031 -12.3979 56.7831 -14.2598 -30.7946 21.3872 55.0585 26.4566 69.4884 TIMING: 952400 CPU: 2838.02, 0.00300292/step Wall: 2838.02, 0.00300292/step, 3.37628 hours remaining, 206.710938 MB of memory in use. ENERGY: 952400 737.0027 2111.5316 1930.7319 97.3806 -206078.1194 17646.4728 0.0000 0.0000 34295.2618 -149259.7380 299.5091 -183554.9997 -149161.8339 299.1753 -116.1631 -85.0256 558313.4078 9.4222 9.3969 PRESSURE: 952600 -140.174 -44.155 -78.2396 -44.1541 -142.46 96.5013 -78.2403 96.5005 -80.7155 GPRESSURE: 952600 -64.0769 -106.763 -105.125 -36.756 -164.814 48.5732 -41.9811 100.491 -43.5765 PRESSAVG: 952600 -18.3941 -29.1081 40.3733 -29.1082 25.9903 29.6255 40.3733 29.6255 -16.2368 GPRESSAVG: 952600 -18.0484 -29.4573 40.306 -26.5555 26.7862 33.0333 41.4489 27.4755 -17.5943 TIMING: 952600 CPU: 2838.61, 0.00296174/step Wall: 2838.61, 0.00296174/step, 3.32981 hours remaining, 206.710938 MB of memory in use. ENERGY: 952600 724.7471 2095.0043 1935.5082 115.9304 -206244.1394 17731.4406 0.0000 0.0000 34257.6351 -149383.8738 299.1804 -183641.5089 -149276.7894 299.4251 -121.1165 -90.8225 558499.3271 -2.8802 -2.9522 PRESSURE: 952800 -157.271 -42.1486 -39.6828 -42.1492 -149.493 106.664 -39.6849 106.664 -46.9211 GPRESSURE: 952800 -164.391 -29.1388 -89.0863 7.84613 -58.8133 107.867 -0.00462326 94.9092 -31.1446 PRESSAVG: 952800 19.0775 -56.0907 23.2007 -56.0908 -86.2216 50.2521 23.2007 50.2521 58.4029 GPRESSAVG: 952800 18.1128 -55.0959 21.8554 -58.4735 -86.7669 51.1113 23.0982 49.1213 60.5433 TIMING: 952800 CPU: 2839.21, 0.00297499/step Wall: 2839.21, 0.00297499/step, 3.34455 hours remaining, 206.710938 MB of memory in use. ENERGY: 952800 750.9189 2142.2322 1942.7686 118.4297 -206402.5440 17782.5646 0.0000 0.0000 34221.0649 -149444.5650 298.8611 -183665.6299 -149348.2769 299.2087 -117.8950 -84.7831 558895.4012 -2.9137 -2.7036 PRESSURE: 953000 95.7672 -128.078 80.94 -128.077 9.35844 118.543 80.9404 118.542 122.6 GPRESSURE: 953000 130.486 -12.9256 43.2153 -151.938 -19.9829 149.979 144.945 56.7191 219.483 PRESSAVG: 953000 -38.8383 -13.7571 0.451631 -13.7572 13.5469 19.7904 0.451633 19.7904 3.35384 GPRESSAVG: 953000 -37.7161 -15.8328 3.09323 -12.4458 15.6351 17.4128 -0.182118 20.1123 1.02875 TIMING: 953000 CPU: 2839.81, 0.0030168/step Wall: 2839.81, 0.0030168/step, 3.39138 hours remaining, 206.710938 MB of memory in use. ENERGY: 953000 717.1891 2125.5704 1946.0784 103.3378 -205952.8308 17666.0535 0.0000 0.0000 33874.3289 -149520.2727 295.8329 -183394.6016 -149419.3810 298.1308 75.9087 109.9952 558446.8071 -7.3125 -7.0174 PRESSURE: 953200 23.4846 -129.834 -76.6096 -129.833 -171.652 54.9091 -76.6108 54.9097 19.9786 GPRESSURE: 953200 52.8122 -180.235 -59.7086 -61.2875 -76.0849 66.8836 -59.4717 74.0503 -5.43451 PRESSAVG: 953200 -57.8038 -46.2951 -4.62674 -46.2951 -19.4084 53.0553 -4.62675 53.0553 72.0475 GPRESSAVG: 953200 -57.1568 -48.4544 -5.25418 -42.6055 -21.2473 52.1605 -4.89403 54.2061 73.4001 TIMING: 953200 CPU: 2840.4, 0.00295043/step Wall: 2840.4, 0.00295043/step, 3.31661 hours remaining, 206.710938 MB of memory in use. ENERGY: 953200 741.1113 2096.8740 1923.0030 110.3322 -206013.2998 17618.0369 0.0000 0.0000 34205.1203 -149318.8221 298.7218 -183523.9424 -149217.5284 298.5732 -42.7297 -9.5691 558070.0844 -1.7216 -1.6680 PRESSURE: 953400 -116.107 17.6123 67.8854 17.6124 -172.221 250.823 67.8839 250.824 -173.385 GPRESSURE: 953400 -97.7732 -143.841 92.31 44.1305 -60.562 272.138 65.0469 225.067 -201.239 PRESSAVG: 953400 -21.4848 48.0055 -37.5613 48.0055 -46.4572 78.924 -37.5613 78.924 44.8926 GPRESSAVG: 953400 -22.2265 50.497 -39.6544 44.1954 -46.2383 79.5427 -36.4201 80.0659 45.6932 TIMING: 953400 CPU: 2840.99, 0.00296458/step Wall: 2840.99, 0.00296458/step, 3.33235 hours remaining, 206.710938 MB of memory in use. ENERGY: 953400 764.7984 2094.4250 1943.5717 106.8220 -206329.1665 17662.1900 0.0000 0.0000 34351.7873 -149405.5720 300.0027 -183757.3594 -149310.5297 298.8634 -153.9044 -119.8579 558391.6424 -7.6831 -7.5905 PRESSURE: 953600 -112.716 -104.238 112.314 -104.238 327.078 124.645 112.315 124.644 3.33889 GPRESSURE: 953600 -62.0059 -104.898 186.985 6.11871 326.632 140.818 -17.436 109.349 40.0811 PRESSAVG: 953600 -46.4268 21.9988 -4.03404 21.9988 93.5863 76.727 -4.03407 76.727 -9.33658 GPRESSAVG: 953600 -46.1529 21.2699 -2.81069 23.9103 93.9891 77.6752 -5.68293 75.1376 -10.3812 TIMING: 953600 CPU: 2841.59, 0.0029553/step Wall: 2841.59, 0.0029553/step, 3.32176 hours remaining, 206.710938 MB of memory in use. ENERGY: 953600 790.7316 2072.2282 1899.2887 121.9166 -206561.5273 17993.6421 0.0000 0.0000 34369.2587 -149314.4615 300.1553 -183683.7201 -149215.7953 299.1697 72.5670 101.5690 556542.0279 12.6076 12.4850 PRESSURE: 953800 -111.468 -130.986 164.316 -130.985 81.9879 66.4285 164.315 66.4302 -39.9362 GPRESSURE: 953800 -19.5812 -152.424 178.354 -201.79 131.359 29.4456 25.1989 43.2008 -73.4082 PRESSAVG: 953800 -56.5314 -0.0274347 0.363673 -0.0274006 52.3861 -10.1209 0.363649 -10.121 52.8037 GPRESSAVG: 953800 -56.551 0.74388 2.34967 0.24424 53.4963 -12.0556 0.418215 -7.49762 52.2964 TIMING: 953800 CPU: 2842.18, 0.00296481/step Wall: 2842.18, 0.00296481/step, 3.33228 hours remaining, 206.710938 MB of memory in use. ENERGY: 953800 725.7782 2155.2618 1915.3396 117.3704 -206316.9447 17815.4556 0.0000 0.0000 34523.7601 -149063.9790 301.5046 -183587.7391 -148968.4437 299.6717 -23.1387 12.7898 557401.0815 16.2195 16.4139 PRESSURE: 954000 -130.255 15.2432 -160.856 15.2433 11.6358 29.4362 -160.855 29.437 -159.738 GPRESSURE: 954000 -63.4427 67.9457 -183.977 -42.9152 -1.71651 73.7988 -26.2834 50.739 -127.716 PRESSAVG: 954000 -49.5697 44.0768 -49.2957 44.0767 100.734 -30.9968 -49.2957 -30.9967 -49.5515 GPRESSAVG: 954000 -49.0733 43.6629 -51.0758 43.9959 100.767 -27.9347 -48.3074 -33.7545 -49.6176 TIMING: 954000 CPU: 2842.78, 0.00300649/step Wall: 2842.78, 0.00300649/step, 3.37896 hours remaining, 206.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 954000 739.2146 2094.0783 1905.3554 100.2133 -206042.2598 17563.8631 0.0000 0.0000 34431.2196 -149208.3155 300.6964 -183639.5351 -149107.9133 300.5949 -92.7857 -64.2917 557657.2180 0.5377 0.6920 PRESSURE: 954200 272.532 -87.4281 -42.3874 -87.4279 2.64925 267.014 -42.3865 267.014 7.33116 GPRESSURE: 954200 317.589 -106.608 7.04197 -28.487 -22.4866 229.431 -109.485 282.081 73.5865 PRESSAVG: 954200 23.6092 27.0505 3.29981 27.0505 26.1738 51.3773 3.29982 51.3772 -44.1201 GPRESSAVG: 954200 23.1366 26.3371 3.29691 26.3265 25.4402 50.5742 2.01688 50.7506 -43.2807 TIMING: 954200 CPU: 2843.38, 0.00299001/step Wall: 2843.38, 0.00299001/step, 3.36028 hours remaining, 206.710938 MB of memory in use. ENERGY: 954200 721.8827 2105.9505 1917.9814 118.3995 -206303.0562 17720.3759 0.0000 0.0000 34588.0639 -149130.4024 302.0662 -183718.4663 -149031.6285 299.6864 94.1708 122.8964 555547.1350 1.8876 1.7654 PRESSURE: 954400 -146.81 137.903 64.8983 137.903 -174.031 -14.6753 64.8977 -14.6751 1.47953 GPRESSURE: 954400 -109.612 182.515 75.5697 77.2804 -147.3 49.2825 79.5275 -99.6717 27.9496 PRESSAVG: 954400 -31.232 27.4787 -16.1426 27.4787 23.9946 52.2647 -16.1426 52.2647 8.94514 GPRESSAVG: 954400 -32.0493 25.7091 -17.6685 29.6321 23.4411 52.2511 -14.9773 52.8084 9.60289 TIMING: 954400 CPU: 2843.97, 0.00297046/step Wall: 2843.97, 0.00297046/step, 3.33814 hours remaining, 206.710938 MB of memory in use. ENERGY: 954400 770.4488 2134.8902 1963.3507 116.3740 -206176.9287 17661.3396 0.0000 0.0000 34425.8486 -149104.6767 300.6495 -183530.5253 -149004.3526 300.0936 -106.4540 -76.3208 558087.1738 0.5693 0.3316 PRESSURE: 954600 63.6301 152.71 12.3452 152.709 134.751 -67.1568 12.3434 -67.1584 83.5633 GPRESSURE: 954600 103.031 117.99 88.1393 73.9765 136.709 -28.1649 77.4684 -67.2688 148.407 PRESSAVG: 954600 3.41817 52.629 27.7808 52.629 0.0351305 17.2365 27.7809 17.2365 -16.2008 GPRESSAVG: 954600 3.59494 54.7062 29.641 51.1912 0.801596 17.4367 28.8732 17.1919 -17.5336 TIMING: 954600 CPU: 2844.56, 0.00295475/step Wall: 2844.56, 0.00295475/step, 3.32032 hours remaining, 206.710938 MB of memory in use. ENERGY: 954600 757.9528 2140.6111 1930.8071 97.0715 -205948.3928 17743.6497 0.0000 0.0000 34255.1898 -149023.1108 299.1591 -183278.3006 -148933.2079 300.2104 93.9815 129.3823 557466.1540 -4.2492 -4.3790 PRESSURE: 954800 182.727 146.846 15.8165 146.846 -128.848 35.0243 15.818 35.0248 -140.477 GPRESSURE: 954800 225.152 133.181 33.2169 59.5537 -133.073 32.7434 -35.9079 -28.8979 -82.1354 PRESSAVG: 954800 52.8822 3.74164 38.5989 3.74158 -30.9309 40.7921 38.5989 40.7921 -2.83099 GPRESSAVG: 954800 53.3193 2.14625 36.8176 3.23668 -30.557 39.926 38.1645 41.3412 -3.33317 TIMING: 954800 CPU: 2845.15, 0.00294947/step Wall: 2845.15, 0.00294947/step, 3.31422 hours remaining, 206.710938 MB of memory in use. ENERGY: 954800 756.4737 2088.8615 1889.9568 114.6001 -205928.9036 17655.0913 0.0000 0.0000 34302.2460 -149121.6743 299.5700 -183423.9202 -149026.2789 299.6291 -28.8658 3.3145 558500.2663 6.3735 6.4764 PRESSURE: 955000 244.634 -28.6176 3.8745 -28.6172 -230.138 -90.2462 3.87322 -90.2463 -125.144 GPRESSURE: 955000 267.601 48.9799 15.4818 -36.8287 -144.038 -118.854 19.1455 -138.569 -147.003 PRESSAVG: 955000 61.6822 64.0531 -22.5795 64.0531 23.1223 -35.0898 -22.5795 -35.0898 -76.6628 GPRESSAVG: 955000 60.9507 67.1666 -21.5415 64.3252 24.4252 -34.6241 -22.372 -33.9989 -77.1752 TIMING: 955000 CPU: 2845.74, 0.00295369/step Wall: 2845.74, 0.00295369/step, 3.3188 hours remaining, 206.710938 MB of memory in use. ENERGY: 955000 726.6784 2079.8222 1894.4772 121.6430 -205939.3673 17687.6215 0.0000 0.0000 34247.5435 -149181.5815 299.0923 -183429.1250 -149084.9807 299.0450 -36.8825 -7.8136 559043.1133 2.7139 2.7335 PRESSURE: 955200 197.046 111.414 20.0242 111.414 75.8627 113.312 20.0238 113.312 -123.78 GPRESSURE: 955200 232.622 121.202 -62.7938 26.7049 87.3301 105.466 67.1963 90.7889 -82.1642 PRESSAVG: 955200 92.2321 -6.24051 -0.815902 -6.24048 -42.5407 2.31606 -0.816001 2.316 -12.6303 GPRESSAVG: 955200 92.8754 -9.01784 -0.53474 -3.09031 -44.5103 1.2063 -3.2586 2.72024 -11.4997 TIMING: 955200 CPU: 2846.34, 0.00296975/step Wall: 2846.34, 0.00296975/step, 3.33668 hours remaining, 206.710938 MB of memory in use. ENERGY: 955200 734.6560 2072.8290 1942.0291 107.0061 -206001.2427 17699.3673 0.0000 0.0000 34305.8091 -149139.5460 299.6012 -183445.3551 -149040.7015 299.1256 49.7096 79.2625 557634.3627 12.3537 12.2885 PRESSURE: 955400 184.413 -91.9018 125.621 -91.9016 44.5857 -149.502 125.621 -149.502 56.1687 GPRESSURE: 955400 188.86 -104.065 144.302 -47.3673 37.5582 -197.573 91.5267 -214.423 150.664 PRESSAVG: 955400 66.6969 71.4534 2.29165 71.4534 -40.9313 3.40895 2.29167 3.40898 -25.184 GPRESSAVG: 955400 66.8199 72.4248 3.65146 69.1363 -41.7554 5.24653 2.50137 2.37089 -24.9724 TIMING: 955400 CPU: 2846.93, 0.00295962/step Wall: 2846.93, 0.00295962/step, 3.32514 hours remaining, 206.710938 MB of memory in use. ENERGY: 955400 775.0272 2126.0982 1921.4928 119.8297 -206467.0122 18148.6404 0.0000 0.0000 34172.5468 -149203.3770 298.4374 -183375.9238 -149105.9262 299.6121 95.0557 125.6941 557988.9953 0.1939 0.0307 PRESSURE: 955600 22.6913 47.9379 66.4865 47.9382 -124.384 -1.00146 66.4869 -1.00016 -148.811 GPRESSURE: 955600 7.80162 31.4895 -5.03337 -40.9222 -31.9736 105.724 129.916 5.52669 -143.609 PRESSAVG: 955600 31.333 -17.2956 5.13825 -17.2955 -23.4754 25.1573 5.1382 25.1574 30.532 GPRESSAVG: 955600 31.535 -15.6097 2.25936 -18.6764 -21.6564 24.136 4.85354 25.0873 28.9551 TIMING: 955600 CPU: 2847.52, 0.00295233/step Wall: 2847.52, 0.00295233/step, 3.31678 hours remaining, 206.710938 MB of memory in use. ENERGY: 955600 741.4977 2090.1506 1962.6905 123.0394 -206332.6558 17851.7731 0.0000 0.0000 34330.7050 -149232.7995 299.8186 -183563.5045 -149136.1576 299.2460 -83.5014 -55.9269 558961.7034 12.7965 12.9446 PRESSURE: 955800 -105.652 8.22628 -55.6774 8.22621 -130.56 80.6111 -55.6791 80.6114 46.7864 GPRESSURE: 955800 -49.8888 44.7016 -57.4104 -21.8503 -70.3372 -34.4357 -42.5272 142.134 17.8464 PRESSAVG: 955800 2.78142 63.3516 -39.1468 63.3515 -40.8033 50.0953 -39.1468 50.0954 45.1616 GPRESSAVG: 955800 2.333 61.0266 -40.1197 65.5706 -41.0829 49.0053 -35.8709 50.5441 45.8418 TIMING: 955800 CPU: 2848.11, 0.00293302/step Wall: 2848.11, 0.00293302/step, 3.29493 hours remaining, 206.710938 MB of memory in use. ENERGY: 955800 750.0959 2082.8914 1908.8753 111.5735 -206277.1905 17727.4505 0.0000 0.0000 34482.8072 -149213.4967 301.1469 -183696.3039 -149114.6390 300.1580 -63.1419 -34.1265 557569.3955 2.3799 2.3640 PRESSURE: 956000 -28.2603 1.0117 -126.35 1.01319 68.4679 -2.44717 -126.351 -2.44717 466.991 GPRESSURE: 956000 35.0392 29.7626 -90.252 90.3667 76.8624 -127.242 -40.4544 76.2632 493.687 PRESSAVG: 956000 -27.3928 10.2647 48.8048 10.2646 -74.1411 19.8779 48.8048 19.8779 95.3687 GPRESSAVG: 956000 -27.1592 12.6674 50.6574 8.55684 -75.3675 19.2027 46.8289 20.1473 96.57 TIMING: 956000 CPU: 2848.69, 0.00293642/step Wall: 2848.69, 0.00293642/step, 3.29858 hours remaining, 206.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 956000 732.7430 2093.6410 1934.4148 102.5701 -206390.1574 18077.9510 0.0000 0.0000 34364.3644 -149084.4730 300.1125 -183448.8374 -148985.9856 299.4693 169.0663 201.8629 557352.7772 -2.0551 -1.9856 PRESSURE: 956200 140.533 123.622 53.1116 123.623 -244.443 34.4907 53.1121 34.4915 -127.19 GPRESSURE: 956200 187.121 28.1759 79.232 157.214 -239.207 36.1263 21.067 -20.6304 -73.0734 PRESSAVG: 956200 -27.0741 48.2504 19.4262 48.2504 -63.6396 7.91956 19.4262 7.91944 103.125 GPRESSAVG: 956200 -26.5763 45.0759 18.9072 49.1571 -62.1624 10.044 18.7284 6.23051 101.217 TIMING: 956200 CPU: 2849.29, 0.0029719/step Wall: 2849.29, 0.0029719/step, 3.33827 hours remaining, 206.710938 MB of memory in use. ENERGY: 956200 752.6882 2070.7211 1908.7595 109.4423 -206297.2405 17862.7153 0.0000 0.0000 34394.9859 -149197.9281 300.3800 -183592.9141 -149092.6685 299.2196 -77.0338 -41.7195 558053.4342 4.1371 4.1593 LDB: ============= START OF LOAD BALANCING ============== 2852.83 LDB: ============== END OF LOAD BALANCING =============== 2852.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2852.84 LDB: ============= START OF LOAD BALANCING ============== 2853.13 LDB: Largest compute 4773 load 0.028000 is 23.7% of average load 0.118140 LDB: Average compute 0.001735 is 1.5% of average load 0.118140 LDB: TIME 2853.14 LOAD: AVG 0.11814 MAX 0.205116 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 2853.14 LOAD: AVG 0.11814 MAX 0.205116 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.754 MB LDB: TIME 2853.14 LOAD: AVG 0.11814 MAX 0.205116 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.754 MB LDB: ============== END OF LOAD BALANCING =============== 2853.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2853.14 PRESSURE: 956400 -141.422 -75.2521 73.1909 -75.2509 -437.061 -119.768 73.1899 -119.767 -12.5918 GPRESSURE: 956400 -76.2747 -73.4513 106.216 -27.8623 -368.596 -196.227 20.2404 -109.494 -37.0437 PRESSAVG: 956400 50.9091 20.8063 15.5258 20.8063 -100.538 26.4576 15.5258 26.4575 72.0188 GPRESSAVG: 956400 49.4306 23.1338 14.9209 20.9113 -101.432 28.0345 15.4647 24.7719 74.3693 TIMING: 956400 CPU: 2849.89, 0.0030226/step Wall: 2849.89, 0.00302261/step, 3.39506 hours remaining, 206.710938 MB of memory in use. ENERGY: 956400 748.5524 2070.0874 1932.5364 108.6484 -205998.7999 17689.1986 0.0000 0.0000 34068.7951 -149380.9815 297.5313 -183449.7767 -149285.1251 298.3093 -197.0249 -160.6381 559189.5965 7.4633 7.4560 PRESSURE: 956600 -36.5063 30.5187 3.30567 30.519 -127.983 20.2983 3.30557 20.2982 -3.06724 GPRESSURE: 956600 6.34817 119.459 77.0008 21.5262 -89.2421 -25.3663 -67.1044 38.4939 1.46992 PRESSAVG: 956600 47.6932 31.0354 -60.0294 31.0355 -80.9835 32.5089 -60.0293 32.5088 14.7999 GPRESSAVG: 956600 48.8646 31.3516 -59.0549 29.1926 -80.3066 30.6555 -58.4314 34.1604 12.5086 TIMING: 956600 CPU: 2850.49, 0.00298006/step Wall: 2850.49, 0.00298006/step, 3.3471 hours remaining, 206.710938 MB of memory in use. ENERGY: 956600 744.4114 2101.5624 1940.1932 103.3048 -206375.4512 17749.2672 0.0000 0.0000 34119.9807 -149616.7316 297.9783 -183736.7123 -149516.9034 298.3483 -55.8522 -27.1413 558492.5983 -6.1635 -6.3111 PRESSURE: 956800 17.6104 116.374 -136.348 116.373 -22.5209 -13.1114 -136.348 -13.11 -57.0834 GPRESSURE: 956800 28.6882 127.413 -112.337 107.437 37.845 -75.4876 -70.8557 -106.687 -42.4237 PRESSAVG: 956800 5.30129 14.3242 -19.1015 14.3241 -66.3596 6.62203 -19.1014 6.62196 47.1855 GPRESSAVG: 956800 4.77608 13.7001 -18.7983 15.7479 -66.0402 6.29279 -18.7149 6.71429 46.9838 TIMING: 956800 CPU: 2851.08, 0.00295928/step Wall: 2851.08, 0.00295928/step, 3.3236 hours remaining, 206.710938 MB of memory in use. ENERGY: 956800 745.5858 2107.3914 1902.4837 108.7562 -206017.8535 17590.6932 0.0000 0.0000 34035.1774 -149527.7658 297.2377 -183562.9432 -149434.1901 297.7523 -20.6646 8.0365 558315.1953 -4.6243 -4.7601 PRESSURE: 957000 -38.1443 140.002 -21.239 140.002 249.843 260.111 -21.2398 260.109 -36.9757 GPRESSURE: 957000 -67.0139 97.5128 -65.5462 228.467 260.112 315.106 -29.767 231.85 73.481 PRESSAVG: 957000 -17.343 8.59512 22.287 8.59516 22.2076 83.0882 22.287 83.0883 -30.0691 GPRESSAVG: 957000 -17.5744 8.24263 21.0962 8.47863 21.376 83.0361 23.0747 84.7614 -29.753 TIMING: 957000 CPU: 2851.67, 0.00295333/step Wall: 2851.67, 0.00295333/step, 3.31675 hours remaining, 206.710938 MB of memory in use. ENERGY: 957000 745.1321 2066.9017 1900.1328 115.9517 -206340.1059 17945.6525 0.0000 0.0000 33862.8166 -149703.5185 295.7324 -183566.3350 -149610.2102 297.4270 58.2409 88.8596 556623.4991 -8.4015 -8.6505 PRESSURE: 957200 150.551 -105.608 148.003 -105.607 -35.0472 12.0234 148.004 12.0231 -317.214 GPRESSURE: 957200 219.777 -20.0486 91.5247 -69.389 -6.9053 -71.3258 277.854 32.6845 -323.34 PRESSAVG: 957200 9.54157 12.3539 -29.6679 12.3539 -2.5957 60.7953 -29.668 60.7955 19.197 GPRESSAVG: 957200 8.32333 13.6539 -27.3491 11.5334 -1.92712 62.2561 -33.4848 59.9477 19.6426 TIMING: 957200 CPU: 2852.27, 0.00298865/step Wall: 2852.27, 0.00298865/step, 3.35625 hours remaining, 206.710938 MB of memory in use. ENERGY: 957200 783.7340 2075.2292 1918.9934 103.9449 -206700.9464 17848.6306 0.0000 0.0000 34188.5813 -149781.8330 298.5774 -183970.4143 -149682.1431 297.5353 -67.2367 -36.8227 555912.1164 8.7143 8.6796 PRESSURE: 957400 -311.251 19.8322 -76.3778 19.8311 39.9202 24.5823 -76.3777 24.5821 -116.523 GPRESSURE: 957400 -265.632 5.16843 -35.972 -17.6962 23.2277 16.3129 -70.9724 -6.42877 -30.6857 PRESSAVG: 957400 4.49051 -21.9948 8.90442 -21.9949 22.0062 5.36936 8.90437 5.36938 -35.0558 GPRESSAVG: 957400 5.17134 -22.9723 7.60806 -21.2088 20.4477 4.05038 10.3126 2.3757 -34.4542 TIMING: 957400 CPU: 2852.87, 0.0029898/step Wall: 2852.87, 0.0029898/step, 3.35738 hours remaining, 206.710938 MB of memory in use. ENERGY: 957400 704.7375 2067.7663 1948.1684 113.6891 -206529.3427 17728.8282 0.0000 0.0000 34151.7295 -149814.4238 298.2555 -183966.1533 -149710.3736 297.2280 -129.2845 -91.0300 557135.6499 -2.8530 -2.9451 PRESSURE: 957600 -31.6907 -90.9054 36.2442 -90.9051 -30.2006 -61.3821 36.243 -61.3822 -62.3644 GPRESSURE: 957600 -27.4712 -80.3662 71.7412 -114.879 -5.54199 -93.9732 110.547 -56.866 1.52464 PRESSAVG: 957600 -12.5952 3.52633 -82.429 3.5263 -43.0324 -20.1841 -82.429 -20.1843 78.1349 GPRESSAVG: 957600 -11.6955 4.17117 -82.9809 2.26965 -43.6611 -22.4504 -80.3009 -16.1635 77.5773 TIMING: 957600 CPU: 2853.46, 0.00294551/step Wall: 2853.46, 0.00294551/step, 3.30748 hours remaining, 206.710938 MB of memory in use. ENERGY: 957600 741.6786 2148.4149 1946.6741 112.0692 -206473.5309 17802.0700 0.0000 0.0000 34110.4471 -149612.1769 297.8950 -183722.6240 -149521.5773 298.0594 -41.4186 -10.4962 556552.3239 7.5024 7.4069 PRESSURE: 957800 -147.223 -239.695 -19.1933 -239.695 -198.474 -135.246 -19.1929 -135.247 184.158 GPRESSURE: 957800 -100.948 -223.281 -7.20316 -226.134 -106.723 -177.422 73.6464 -153.628 137.246 PRESSAVG: 957800 36.3677 31.5349 14.0189 31.535 -69.9556 -29.8746 14.0189 -29.8746 78.8945 GPRESSAVG: 957800 36.6829 28.9848 12.2545 32.4859 -70.3863 -27.0394 14.2086 -32.7268 79.3595 TIMING: 957800 CPU: 2854.05, 0.00296514/step Wall: 2854.05, 0.00296513/step, 3.32935 hours remaining, 206.710938 MB of memory in use. ENERGY: 957800 764.4707 2125.2537 1903.4860 117.2697 -206436.2634 17739.4671 0.0000 0.0000 34208.8727 -149577.4435 298.7546 -183786.3162 -149479.4186 298.6945 -53.8464 -23.4748 555774.5554 15.1022 15.2187 PRESSURE: 958000 97.3846 119.615 193.483 119.616 23.1037 22.6364 193.484 22.6359 -68.619 GPRESSURE: 958000 62.4404 162.305 254.213 69.2581 132.168 20.4112 111.487 29.8321 -27.2492 PRESSAVG: 958000 -41.9335 71.542 37.2642 71.542 -8.57583 -16.5646 37.2643 -16.5645 5.1519 GPRESSAVG: 958000 -43.2193 75.2811 41.6917 70.0407 -6.90951 -15.1382 35.3955 -16.1745 4.80448 TIMING: 958000 CPU: 2854.64, 0.00297045/step Wall: 2854.64, 0.00297045/step, 3.33516 hours remaining, 206.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 958000 715.2619 2117.7636 1942.1784 121.4140 -206503.4203 17948.1646 0.0000 0.0000 34203.8681 -149454.7696 298.7109 -183658.6377 -149368.4785 298.1255 17.2898 55.7863 558383.6485 -15.1192 -15.1081 PRESSURE: 958200 -118.455 116.743 -42.0314 116.743 131.32 23.5528 -42.0314 23.5503 214.588 GPRESSURE: 958200 -56.8779 91.3042 2.21796 91.4782 158.85 -0.883876 8.80473 -1.11387 222.327 PRESSAVG: 958200 -0.123586 73.1685 -13.7309 73.1684 18.6983 -7.11752 -13.7309 -7.11764 -9.22071 GPRESSAVG: 958200 0.525793 71.8347 -14.3952 72.9213 18.6356 -9.25872 -13.4396 -7.70504 -9.35499 TIMING: 958200 CPU: 2855.23, 0.0029352/step Wall: 2855.23, 0.0029352/step, 3.29542 hours remaining, 206.710938 MB of memory in use. ENERGY: 958200 687.1371 2172.1698 1948.7181 116.1992 -206424.8424 17958.1720 0.0000 0.0000 34067.3080 -149475.1382 297.5183 -183542.4463 -149382.2385 298.5583 75.8175 108.0998 556884.3800 3.1180 3.2688 PRESSURE: 958400 -125.536 44.3792 126.909 44.3787 -22.4028 -110.302 126.908 -110.302 63.0746 GPRESSURE: 958400 -100.373 -24.581 75.5351 25.0823 27.2882 -204.851 76.8368 -11.4975 81.8552 PRESSAVG: 958400 25.1217 38.853 3.05928 38.8529 -52.1376 -4.96926 3.05936 -4.96929 27.2468 GPRESSAVG: 958400 24.9644 37.307 3.14188 41.3284 -51.3437 -3.35304 2.82951 -5.79 26.0215 TIMING: 958400 CPU: 2855.82, 0.00293985/step Wall: 2855.82, 0.00293985/step, 3.30047 hours remaining, 206.710938 MB of memory in use. ENERGY: 958400 721.4945 2133.7947 1939.7246 125.9457 -206139.1859 17663.8171 0.0000 0.0000 34139.6616 -149414.7478 298.1502 -183554.4094 -149317.5356 298.5390 -28.2882 2.9236 557837.0268 0.0770 -0.1192 PRESSURE: 958600 252.514 -55.3914 9.00535 -55.3937 -249.015 -11.498 9.00554 -11.4995 -228.169 GPRESSURE: 958600 307.857 -92.1516 63.9232 -29.6706 -247.159 17.1266 30.7927 -41.2183 -196.659 PRESSAVG: 958600 34.7398 -100.465 59.3796 -100.466 42.2742 0.698697 59.3795 0.698779 -29.4161 GPRESSAVG: 958600 34.3754 -99.4741 57.6511 -100.537 41.533 0.851979 58.8379 0.964886 -28.7466 TIMING: 958600 CPU: 2856.41, 0.00295699/step Wall: 2856.41, 0.00295699/step, 3.31955 hours remaining, 206.710938 MB of memory in use. ENERGY: 958600 774.6767 2061.4767 1930.8888 118.2222 -206077.1166 17702.2944 0.0000 0.0000 34272.6080 -149216.9498 299.3112 -183489.5578 -149119.9207 299.3458 -74.8898 -45.3203 557669.1143 15.8660 15.7206 PRESSURE: 958800 -227.794 157.031 -4.52025 157.031 -126.668 -12.6283 -4.5209 -12.6268 -487.905 GPRESSURE: 958800 -170.186 184.158 -6.82856 206.252 -102.012 -57.3771 5.60871 33.2613 -463.827 PRESSAVG: 958800 36.4732 9.05365 91.0275 9.05357 1.23845 -45.3942 91.0276 -45.3942 -1.18841 GPRESSAVG: 958800 36.7006 10.4853 93.2377 7.36121 0.240756 -47.8853 91.4736 -43.5667 -0.12856 TIMING: 958800 CPU: 2857, 0.0029564/step Wall: 2857, 0.0029564/step, 3.31872 hours remaining, 206.710938 MB of memory in use. ENERGY: 958800 779.7484 2095.8109 1960.6617 111.8992 -206038.1873 17573.3961 0.0000 0.0000 34272.3477 -149244.3234 299.3089 -183516.6711 -149148.9128 299.1202 -280.7891 -245.3415 559977.3688 12.1744 12.2709 PRESSURE: 959000 324.138 -94.3868 13.5459 -94.3859 -70.014 251.479 13.546 251.48 28.7674 GPRESSURE: 959000 258.377 6.60242 -54.0005 -105.943 34.7231 198.672 24.994 219.329 90.4777 PRESSAVG: 959000 29.5811 -21.7687 8.27777 -21.7686 19.7305 0.83093 8.27771 0.830822 -64.3807 GPRESSAVG: 959000 28.8021 -22.7889 6.48778 -21.3991 21.6532 -0.372564 9.39642 0.76191 -65.2715 TIMING: 959000 CPU: 2857.59, 0.00296172/step Wall: 2857.59, 0.00296172/step, 3.32454 hours remaining, 206.710938 MB of memory in use. ENERGY: 959000 729.2249 2117.6825 1944.0917 127.6970 -206553.2580 17958.1056 0.0000 0.0000 34308.8260 -149367.6303 299.6275 -183676.4563 -149274.0915 299.3621 94.2971 127.8592 557352.8894 -5.0230 -4.9387 PRESSURE: 959200 -33.8153 -36.1791 -56.947 -36.18 -293.722 38.3103 -56.9469 38.3103 -154.24 GPRESSURE: 959200 -29.7464 -32.8099 -72.0736 -83.5632 -205.593 -0.166543 -60.4867 57.6847 -147.779 PRESSAVG: 959200 11.2762 -31.4037 -34.3216 -31.4038 31.1658 30.209 -34.3217 30.2089 20.4717 GPRESSAVG: 959200 11.451 -33.6161 -34.37 -28.6836 30.35 31.8034 -35.2912 30.7912 21.4581 TIMING: 959200 CPU: 2858.18, 0.00294801/step Wall: 2858.18, 0.00294801/step, 3.30897 hours remaining, 206.710938 MB of memory in use. ENERGY: 959200 779.6013 2100.6208 1942.0819 128.4119 -206450.5326 17841.1914 0.0000 0.0000 34309.7653 -149348.8600 299.6357 -183658.6253 -149251.0836 299.2796 -160.5924 -127.7060 556938.0646 20.9712 21.0864 PRESSURE: 959400 -77.9972 -78.0855 153.795 -78.0866 -106.461 -5.75998 153.795 -5.76114 -31.0318 GPRESSURE: 959400 -32.319 -123.494 147.108 -56.8941 -110.184 19.154 133.043 25.7896 11.4472 PRESSAVG: 959400 -2.6878 -59.2965 24.3318 -59.2964 13.0793 20.8788 24.3319 20.8788 -2.5561 GPRESSAVG: 959400 -2.57248 -56.456 25.4121 -61.6031 13.8923 22.1543 23.6757 18.964 -3.54857 TIMING: 959400 CPU: 2858.77, 0.00294172/step Wall: 2858.77, 0.00294172/step, 3.30175 hours remaining, 206.710938 MB of memory in use. ENERGY: 959400 740.0280 2071.2589 1947.2082 112.3863 -206069.8474 17718.4251 0.0000 0.0000 34235.1011 -149245.4399 298.9837 -183480.5410 -149143.8844 299.1081 -71.8300 -43.6851 557926.8469 2.6118 2.5904 PRESSURE: 959600 -167.449 -90.669 137.347 -90.669 -372.596 43.4605 137.346 43.461 132.98 GPRESSURE: 959600 -163.257 -60.5195 63.9513 -112.762 -343.285 1.15883 124.759 67.8081 197.215 PRESSAVG: 959600 -25.7663 -15.9249 36.9449 -15.925 -20.0807 22.9961 36.9448 22.996 48.4089 GPRESSAVG: 959600 -25.158 -16.0329 36.7759 -15.6328 -20.415 22.7556 36.3972 23.0211 47.7574 TIMING: 959600 CPU: 2859.36, 0.00294902/step Wall: 2859.36, 0.00294902/step, 3.30978 hours remaining, 206.710938 MB of memory in use. ENERGY: 959600 768.1917 2111.4163 1933.0358 106.0577 -205937.7797 17586.7388 0.0000 0.0000 34187.9576 -149244.3819 298.5719 -183432.3395 -149151.3830 299.4676 -135.6883 -103.1090 556945.2431 0.8540 0.7281 PRESSURE: 959800 -111.899 80.2859 -204.696 80.285 -17.9053 -0.752604 -204.694 -0.753408 -52.9299 GPRESSURE: 959800 -92.1753 25.446 -177.344 102.649 -16.0746 -44.294 -257.994 -28.6801 17.1385 PRESSAVG: 959800 -19.2391 39.0322 -30.5238 39.0322 -58.5761 41.712 -30.5239 41.712 75.4519 GPRESSAVG: 959800 -19.3362 37.8988 -33.0675 40.2837 -58.3567 39.3783 -29.6381 42.0037 75.5394 TIMING: 959800 CPU: 2859.95, 0.0029414/step Wall: 2859.95, 0.0029414/step, 3.30106 hours remaining, 206.710938 MB of memory in use. ENERGY: 959800 749.5728 2106.6201 1965.7701 118.7269 -206412.8950 17871.8597 0.0000 0.0000 34460.8910 -149139.4544 300.9555 -183600.3455 -149039.4686 299.7860 -60.9116 -30.3705 557944.1182 -0.7878 -0.7178 PRESSURE: 960000 -216.437 -128.47 -51.2618 -128.471 -27.2835 -35.3699 -51.2626 -35.3697 -85.7197 GPRESSURE: 960000 -137.247 -133.261 32.0192 -24.7128 6.00767 20.0346 -79.6321 -55.7416 -87.4245 PRESSAVG: 960000 -24.3299 86.1153 -5.47123 86.1152 14.2399 -4.33213 -5.47129 -4.33206 51.1934 GPRESSAVG: 960000 -24.8677 86.8456 -4.63565 84.0792 13.0614 -1.30208 -5.21012 -4.05877 52.4598 TIMING: 960000 CPU: 2860.54, 0.00293095/step Wall: 2860.54, 0.00293095/step, 3.28918 hours remaining, 206.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 960000 744.1902 2090.2800 1951.7017 106.0853 -206281.4667 17736.9115 0.0000 0.0000 34301.1873 -149351.1108 299.5608 -183652.2981 -149243.7802 299.7911 -109.8133 -72.8879 557016.9240 13.7011 13.5512 PRESSURE: 960200 42.2549 -28.1525 -109.212 -28.1527 -142.575 -97.6665 -109.213 -97.6663 -155.268 GPRESSURE: 960200 60.8059 12.6285 -135.827 -57.8685 -157.143 -190.241 -67.9184 -81.3727 -70.6892 PRESSAVG: 960200 42.0313 -27.4535 -29.2092 -27.4535 7.15249 -16.8063 -29.2092 -16.8062 -27.0632 GPRESSAVG: 960200 41.5081 -30.795 -27.1694 -22.7133 8.19542 -17.0236 -30.3823 -15.7234 -28.1406 TIMING: 960200 CPU: 2861.12, 0.00292396/step Wall: 2861.12, 0.00292396/step, 3.28117 hours remaining, 206.710938 MB of memory in use. ENERGY: 960200 739.7861 2079.8067 1947.8265 116.7136 -206101.6043 17704.6297 0.0000 0.0000 34276.2142 -149236.6275 299.3427 -183512.8417 -149147.6461 299.5483 -85.1962 -55.6756 557812.2440 7.3735 7.1876 LDB: ============= START OF LOAD BALANCING ============== 2864.66 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2864.66 LDB: =============== DONE WITH MIGRATION ================ 2864.66 LDB: ============= START OF LOAD BALANCING ============== 2864.96 LDB: Largest compute 4773 load 0.028249 is 23.9% of average load 0.118106 LDB: Average compute 0.001740 is 1.5% of average load 0.118106 LDB: TIME 2864.96 LOAD: AVG 0.118106 MAX 0.205783 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 2864.96 LOAD: AVG 0.118106 MAX 0.205783 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: TIME 2864.96 LOAD: AVG 0.118106 MAX 0.205783 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: ============== END OF LOAD BALANCING =============== 2864.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2864.97 PRESSURE: 960400 39.4176 -189.125 263.93 -189.125 -170.74 -33.4939 263.93 -33.4935 -28.3426 GPRESSURE: 960400 111.618 -119.084 290.213 -191.119 -187.73 -126.744 215.515 -70.1784 20.9509 PRESSAVG: 960400 11.2574 -42.9203 -3.70487 -42.9203 -45.7449 -42.6937 -3.70488 -42.6937 41.1029 GPRESSAVG: 960400 11.8861 -38.4247 -6.05171 -47.6718 -46.2017 -44.7776 -3.41412 -42.6872 40.2133 TIMING: 960400 CPU: 2861.72, 0.00298216/step Wall: 2861.72, 0.00298216/step, 3.34631 hours remaining, 206.710938 MB of memory in use. ENERGY: 960400 776.0608 2091.8530 1926.6590 114.7175 -206137.3938 17814.5725 0.0000 0.0000 34222.9710 -149190.5600 298.8777 -183413.5310 -149098.1162 299.0898 -53.2216 -18.3870 559170.7338 2.2052 1.9659 PRESSURE: 960600 -117.765 -117.438 179.513 -117.439 19.2625 -120.973 179.514 -120.973 193.152 GPRESSURE: 960600 -92.0256 -120.414 214.153 -114.836 42.7152 -76.3213 185.447 -210.988 247.024 PRESSAVG: 960600 10.3775 -30.9312 15.5405 -30.9311 -23.379 -66.2148 15.5405 -66.2149 12.3551 GPRESSAVG: 960600 9.11644 -30.1863 16.363 -30.5779 -22.8133 -63.9657 16.9268 -67.2546 12.7312 TIMING: 960600 CPU: 2862.31, 0.00295207/step Wall: 2862.31, 0.00295207/step, 3.31239 hours remaining, 206.710938 MB of memory in use. ENERGY: 960600 774.6877 2060.9940 1932.4293 113.7434 -205801.2317 17842.8281 0.0000 0.0000 33987.9202 -149088.6290 296.8250 -183076.5492 -148995.5677 299.2179 31.5501 65.9046 560063.4171 -0.2154 -0.3219 PRESSURE: 960800 216.638 19.3283 -157.259 19.328 192.611 56.8528 -157.259 56.8512 101.561 GPRESSURE: 960800 230.01 64.9942 -141.131 55.5412 241.572 18.7752 -129.615 37.3135 162.52 PRESSAVG: 960800 10.3473 -0.144913 -18.9674 -0.144852 -43.458 3.75871 -18.9675 3.7587 -2.46122 GPRESSAVG: 960800 10.3167 -2.07093 -19.4866 1.94967 -42.981 2.20109 -19.2495 3.82243 -2.46528 TIMING: 960800 CPU: 2862.9, 0.00296548/step Wall: 2862.9, 0.00296548/step, 3.32727 hours remaining, 206.710938 MB of memory in use. ENERGY: 960800 700.0102 2056.0623 1953.4988 111.2528 -206577.2014 18295.0950 0.0000 0.0000 34414.6262 -149046.6561 300.5515 -183461.2823 -148948.7831 300.3496 170.2699 211.3675 558609.2514 -11.8573 -11.7098 PRESSURE: 961000 -17.5716 134.088 249.084 134.088 -164.929 32.001 249.083 32.0016 -333.406 GPRESSURE: 961000 29.3078 120.414 246.076 47.1412 -105.531 28.3806 211.763 90.7435 -342.56 PRESSAVG: 961000 0.579394 43.2321 44.9307 43.2321 -35.3373 -51.0287 44.9307 -51.0287 26.7495 GPRESSAVG: 961000 1.19478 44.153 47.4616 41.3943 -36.0519 -48.0941 44.7846 -49.1555 27.3807 TIMING: 961000 CPU: 2863.49, 0.00296308/step Wall: 2863.49, 0.00296308/step, 3.32441 hours remaining, 206.710938 MB of memory in use. ENERGY: 961000 807.6275 2041.4589 1933.1861 117.6261 -205869.4500 17655.7934 0.0000 0.0000 34352.6075 -148961.1505 300.0099 -183313.7580 -148870.1754 299.7288 -171.9688 -139.5943 559792.4000 -2.6695 -2.4921 PRESSURE: 961200 -195.303 -22.0622 -20.6115 -22.0608 -199.366 -65.3789 -20.6124 -65.3794 -154.465 GPRESSURE: 961200 -164.969 -75.7276 8.64319 5.3387 -159.075 -108.891 62.6887 -91.98 -140.242 PRESSAVG: 961200 6.13833 -51.2367 25.5087 -51.2367 0.19646 12.4201 25.5087 12.4201 7.20866 GPRESSAVG: 961200 6.01773 -48.9623 24.6435 -51.6882 0.850167 9.85194 25.3334 11.4665 6.56724 TIMING: 961200 CPU: 2864.09, 0.00298177/step Wall: 2864.09, 0.00298177/step, 3.34521 hours remaining, 206.710938 MB of memory in use. ENERGY: 961200 732.3092 2136.0928 1923.9882 114.3584 -205692.3725 17659.3758 0.0000 0.0000 34004.8849 -149121.3631 296.9731 -183126.2480 -149026.6745 298.9292 -183.0447 -154.7620 559563.2898 4.5145 4.4784 PRESSURE: 961400 38.1017 52.459 166.383 52.4604 -87.1624 84.8796 166.383 84.8799 -92.5403 GPRESSURE: 961400 20.4838 -0.11562 220.518 99.788 -68.7106 159.432 113.252 24.8594 2.43263 PRESSAVG: 961400 40.1131 44.7982 34.3581 44.7982 -13.0587 29.4726 34.3581 29.4727 -12.46 GPRESSAVG: 961400 39.2107 44.2934 33.7198 44.733 -13.8907 30.4873 34.4277 29.3488 -11.5799 TIMING: 961400 CPU: 2864.68, 0.00297177/step Wall: 2864.68, 0.00297177/step, 3.33383 hours remaining, 206.710938 MB of memory in use. ENERGY: 961400 779.7477 2079.9744 1918.7286 116.3134 -205998.5376 17690.7584 0.0000 0.0000 34345.2732 -149067.7420 299.9458 -183413.0152 -148970.9852 299.1898 -47.2003 -15.2647 558280.6181 4.8648 4.5801 PRESSURE: 961600 323.44 10.4694 152.656 10.4705 -116.623 -32.4408 152.657 -32.4395 -36.0358 GPRESSURE: 961600 344.536 77.142 149.322 -77.673 -50.1652 -56.7975 86.7912 -10.8963 -18.1946 PRESSAVG: 961600 19.5847 6.01624 31.6201 6.01627 7.02654 3.0219 31.6201 3.02194 -29.7059 GPRESSAVG: 961600 19.9735 4.22583 30.9885 7.97193 8.10449 0.556223 32.8328 5.01145 -30.738 TIMING: 961600 CPU: 2865.28, 0.00295957/step Wall: 2865.28, 0.00295957/step, 3.31998 hours remaining, 206.710938 MB of memory in use. ENERGY: 961600 719.6324 2097.0798 1913.9959 126.3120 -206137.1877 18006.9734 0.0000 0.0000 34235.9493 -149037.2450 298.9911 -183273.1942 -148929.5598 299.9080 56.9269 92.0588 558975.7780 -1.0315 -0.8866 PRESSURE: 961800 -173.003 -23.4773 38.1932 -23.4772 -58.0573 40.8164 38.1922 40.8176 -336.628 GPRESSURE: 961800 -131.414 -26.0902 -64.0377 30.5949 -46.7461 122.256 106.832 90.1756 -293.233 PRESSAVG: 961800 -4.36528 -9.9058 -3.35598 -9.90575 -76.1576 -29.499 -3.35603 -29.4989 9.30999 GPRESSAVG: 961800 -2.77902 -11.5285 -2.3659 -9.69068 -76.9216 -27.1809 -5.71972 -32.5192 8.1807 TIMING: 961800 CPU: 2865.87, 0.00298102/step Wall: 2865.87, 0.00298102/step, 3.34388 hours remaining, 206.710938 MB of memory in use. ENERGY: 961800 725.7555 2060.1794 1937.8792 104.3178 -205639.0672 17453.4494 0.0000 0.0000 34323.9325 -149033.5534 299.7594 -183357.4859 -148938.4208 300.2358 -189.2297 -157.1308 558091.4410 -23.7376 -23.8400 PRESSURE: 962000 158.197 -69.9539 -48.8796 -69.9536 -88.9219 -36.6806 -48.879 -36.6793 -353.603 GPRESSURE: 962000 173.801 -35.8281 -27.6094 -61.9497 -15.1784 -12.8777 -90.2087 2.63337 -331.543 PRESSAVG: 962000 41.8617 -17.5556 -43.6724 -17.5556 22.0487 -18.5644 -43.6724 -18.5644 -67.7325 GPRESSAVG: 962000 40.918 -14.4591 -42.3164 -18.8275 22.5603 -19.1866 -45.1579 -18.4739 -67.3177 TIMING: 962000 CPU: 2866.47, 0.00298443/step Wall: 2866.47, 0.00298443/step, 3.34754 hours remaining, 206.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 962000 719.6275 2107.3813 1917.8772 107.3175 -205708.9940 17526.8820 0.0000 0.0000 34174.0374 -149155.8711 298.4504 -183329.9085 -149058.9463 300.0230 -94.7759 -57.6401 556280.8436 -1.2740 -1.2798 PRESSURE: 962200 190.852 -58.9783 -113.535 -58.977 -118.533 -20.1203 -113.536 -20.1215 88.1871 GPRESSURE: 962200 269.756 -42.4272 -41.9022 -44.976 -140.661 25.4031 -81.109 -51.3026 124.091 PRESSAVG: 962200 25.6732 23.3477 8.45067 23.3478 -59.5133 -10.5814 8.45069 -10.5815 14.0651 GPRESSAVG: 962200 25.9403 21.5888 6.88445 23.5878 -60.6739 -11.1845 11.6834 -10.4323 14.8545 TIMING: 962200 CPU: 2867.06, 0.00296465/step Wall: 2867.06, 0.00296465/step, 3.32518 hours remaining, 206.710938 MB of memory in use. ENERGY: 962200 707.2255 2019.7564 1911.9337 118.5154 -205747.8872 17626.0835 0.0000 0.0000 33991.1757 -149373.1969 296.8534 -183364.3726 -149282.1041 298.6910 53.5019 84.3954 557112.6104 -6.5917 -6.6263 PRESSURE: 962400 -191.587 -115.098 -108.598 -115.097 175.771 -44.7005 -108.599 -44.7006 3.49707 GPRESSURE: 962400 -139.622 -122.954 -86.9787 -128.478 205.901 -27.2896 -95.0133 -93.4004 18.8695 PRESSAVG: 962400 9.74892 -27.9993 -51.1142 -27.9993 -10.0705 -8.82066 -51.1142 -8.82075 0.692542 GPRESSAVG: 962400 9.25188 -26.7438 -50.7907 -27.9601 -9.73251 -7.81761 -52.8937 -7.89737 0.275709 TIMING: 962400 CPU: 2867.65, 0.00296222/step Wall: 2867.65, 0.00296222/step, 3.3223 hours remaining, 206.710938 MB of memory in use. ENERGY: 962400 716.8478 2062.3749 1954.8973 108.3380 -206468.2960 17988.1224 0.0000 0.0000 34302.2770 -149335.4387 299.5703 -183637.7156 -149245.6320 299.2396 -4.1064 28.3828 557826.9150 0.1236 -0.0683 PRESSURE: 962600 -5.53641 54.6898 156.419 54.6913 -138.79 -10.1398 156.421 -10.1405 103.346 GPRESSURE: 962600 -16.1219 38.0051 210.321 35.2744 -71.4971 16.0206 54.89 25.7173 146.712 PRESSAVG: 962600 -10.0406 -8.48503 -13.7042 -8.48486 27.3558 46.6613 -13.7042 46.6613 -70.4739 GPRESSAVG: 962600 -9.70421 -10.1716 -15.6471 -8.68154 27.3362 47.4186 -12.9849 47.3716 -71.2475 TIMING: 962600 CPU: 2868.25, 0.0029631/step Wall: 2868.25, 0.0029631/step, 3.32312 hours remaining, 206.710938 MB of memory in use. ENERGY: 962600 722.2741 2073.2696 1904.9122 99.9956 -206417.0490 17789.1097 0.0000 0.0000 34445.7149 -149381.7728 300.8230 -183827.4878 -149290.1574 299.5245 -13.6603 19.6976 556412.7070 -17.7196 -17.8718 PRESSURE: 962800 299.318 -37.7045 -114.661 -37.7037 169.32 -140.086 -114.662 -140.087 377.151 GPRESSURE: 962800 354.304 -12.7573 -157.752 -45.6182 138.522 -147.83 -140.345 -86.0959 439.47 PRESSAVG: 962800 0.710477 -8.12092 -21.0625 -8.12093 -28.6983 -21.8536 -21.0626 -21.8536 54.8604 GPRESSAVG: 962800 0.702009 -5.44358 -20.2591 -8.1858 -28.1604 -22.767 -21.1671 -23.2879 54.1998 TIMING: 962800 CPU: 2868.84, 0.00297732/step Wall: 2868.84, 0.00297732/step, 3.3389 hours remaining, 206.710938 MB of memory in use. ENERGY: 962800 752.4791 2092.5477 1919.1934 112.6637 -206694.8845 18345.2724 0.0000 0.0000 34310.2978 -149162.4304 299.6404 -183472.7283 -149072.7251 299.2378 281.9296 310.7655 556640.3764 8.9575 8.9138 PRESSURE: 963000 -456.869 106.855 -83.5294 106.855 -304.711 -50.5316 -83.5293 -50.5315 -77.9993 GPRESSURE: 963000 -346.568 73.2073 -146.924 118.678 -302.577 -45.2936 -26.3915 -77.9633 -100.867 PRESSAVG: 963000 -11.3787 -2.62976 22.8405 -2.62977 20.3379 -49.3353 22.8405 -49.3353 -0.105142 GPRESSAVG: 963000 -11.5249 -2.2226 22.6967 -3.22435 20.9629 -49.5287 25.874 -49.1154 0.5001 TIMING: 963000 CPU: 2869.43, 0.00293483/step Wall: 2869.43, 0.00293483/step, 3.29109 hours remaining, 206.710938 MB of memory in use. ENERGY: 963000 699.3913 2100.5011 1919.1911 115.3602 -205913.4444 17566.6325 0.0000 0.0000 34412.2119 -149100.1563 300.5304 -183512.3682 -149000.8438 299.5015 -279.8598 -250.0038 559326.4962 2.9513 3.3127 PRESSURE: 963200 -107.128 19.2026 -48.4546 19.2034 -177.71 -30.5962 -48.4553 -30.5944 416.565 GPRESSURE: 963200 -53.8819 -61.5175 -122.927 89.7303 -129.316 -67.8469 -47.0736 -85.6779 416.396 PRESSAVG: 963200 -22.067 28.5593 45.035 28.5593 -62.2056 29.8645 45.0351 29.8645 78.7147 GPRESSAVG: 963200 -21.4268 26.9111 44.2244 29.1707 -63.0361 28.3991 43.1775 29.7473 78.6188 TIMING: 963200 CPU: 2870.02, 0.00295321/step Wall: 2870.02, 0.00295321/step, 3.31153 hours remaining, 206.710938 MB of memory in use. ENERGY: 963200 714.9481 2091.8914 1951.2468 113.7930 -206283.8059 17958.8821 0.0000 0.0000 34394.4832 -149058.5613 300.3756 -183453.0444 -148965.8504 299.6362 43.9086 77.7329 557358.8331 -1.8526 -1.9480 PRESSURE: 963400 -125.809 61.8017 -92.8078 61.8002 44.0661 69.143 -92.8074 69.1423 45.452 GPRESSURE: 963400 -86.6766 6.21494 -140.356 112.31 21.3806 30.9664 -131.898 105.983 116.56 PRESSAVG: 963400 -47.8206 28.2222 -49.879 28.2222 55.4442 19.6336 -49.879 19.6337 27.5584 GPRESSAVG: 963400 -48.3611 28.1624 -47.5724 29.3993 55.0999 22.2465 -52.8202 17.2967 27.951 TIMING: 963400 CPU: 2870.61, 0.00295789/step Wall: 2870.61, 0.00295789/step, 3.31662 hours remaining, 206.710938 MB of memory in use. ENERGY: 963400 742.7019 2093.4578 1907.8218 107.8026 -206259.4522 17955.1615 0.0000 0.0000 34301.0750 -149151.4315 299.5598 -183452.5065 -149055.8515 299.6343 -12.0969 17.0879 559105.5604 11.7273 11.5633 PRESSURE: 963600 17.2537 21.7406 -45.7302 21.7413 -186.043 -1.80506 -45.7296 -1.80593 44.1354 GPRESSURE: 963600 37.476 -11.4084 -25.5161 -32.6434 -102.597 -49.7896 32.8705 72.1087 51.2259 PRESSAVG: 963600 -10.2929 -9.94205 -52.2799 -9.94199 -32.1715 17.7639 -52.2799 17.7638 40.2752 GPRESSAVG: 963600 -10.8549 -10.5397 -52.0239 -9.97904 -31.6299 15.2559 -52.6866 20.2184 40.2829 TIMING: 963600 CPU: 2871.2, 0.00296124/step Wall: 2871.2, 0.00296124/step, 3.3202 hours remaining, 206.710938 MB of memory in use. ENERGY: 963600 736.6894 2006.1070 1937.1485 111.7682 -205799.3875 17657.5990 0.0000 0.0000 34260.8127 -149089.2627 299.2082 -183350.0755 -148988.6764 299.8687 -41.5515 -4.6317 558426.9469 -0.7297 -0.7339 PRESSURE: 963800 113.637 36.3355 -84.2119 36.3363 159.119 -143.515 -84.212 -143.513 44.9729 GPRESSURE: 963800 121.929 38.9896 -168.163 75.2627 190.614 -138.177 -99.6749 -107.438 121.895 PRESSAVG: 963800 -13.1258 -3.63071 8.95818 -3.63071 24.5805 33.7329 8.95824 33.7329 -17.5474 GPRESSAVG: 963800 -12.9657 -4.63071 7.14319 -4.32721 23.5923 35.75 9.58622 33.1416 -16.5882 TIMING: 963800 CPU: 2871.8, 0.00298831/step Wall: 2871.8, 0.00298831/step, 3.3504 hours remaining, 206.710938 MB of memory in use. ENERGY: 963800 697.3824 2100.2027 1911.7054 117.9108 -206174.8620 17905.0980 0.0000 0.0000 34478.4904 -148964.0722 301.1092 -183442.5627 -148864.3766 299.8744 105.9098 144.8123 556989.9169 -2.0309 -1.9872 PRESSURE: 964000 227.739 -55.1274 75.465 -55.1269 219.569 124.467 75.4648 124.466 240.624 GPRESSURE: 964000 242.602 -78.4261 3.21846 -44.1687 230.948 175.989 34.434 86.338 308.664 PRESSAVG: 964000 1.91709 -20.9405 -31.0355 -20.9406 36.675 12.0068 -31.0355 12.0067 -39.0594 GPRESSAVG: 964000 2.26072 -18.9133 -30.1772 -21.3073 36.4844 12.4579 -31.4717 10.8334 -39.7484 TIMING: 964000 CPU: 2872.39, 0.00295938/step Wall: 2872.39, 0.00295938/step, 3.31779 hours remaining, 206.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 964000 742.0427 2096.1912 1927.0064 104.8947 -206356.1590 18208.3722 0.0000 0.0000 34362.9190 -148914.7327 300.0999 -183277.6518 -148811.9223 300.4572 229.3107 260.7380 557903.5326 -0.1558 -0.3344 PRESSURE: 964200 -17.8869 -7.23215 -140.48 -7.23196 -15.9124 -105.543 -140.48 -105.544 -202.67 GPRESSURE: 964200 8.1442 40.1632 -191.348 -33.4311 46.7312 -119.607 -160.883 -96.5254 -195.029 PRESSAVG: 964200 -69.7304 -44.2698 -49.3699 -44.2697 51.5849 16.4948 -49.37 16.4947 37.4857 GPRESSAVG: 964200 -69.0903 -45.5999 -51.5792 -43.6805 52.6613 14.8014 -48.0657 18.9006 36.0233 TIMING: 964200 CPU: 2872.99, 0.00297538/step Wall: 2872.99, 0.00297538/step, 3.33557 hours remaining, 206.710938 MB of memory in use. ENERGY: 964200 778.0284 2070.4373 1944.9109 100.9417 -205914.5775 17779.7439 0.0000 0.0000 34213.5318 -149026.9835 298.7953 -183240.5153 -148926.9985 299.8380 -78.8231 -46.7177 558525.4436 6.4468 6.5314 LDB: ============= START OF LOAD BALANCING ============== 2876.53 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2876.53 LDB: =============== DONE WITH MIGRATION ================ 2876.54 LDB: ============= START OF LOAD BALANCING ============== 2876.83 LDB: Largest compute 4773 load 0.028769 is 24.3% of average load 0.118209 LDB: Average compute 0.001727 is 1.5% of average load 0.118209 LDB: TIME 2876.84 LOAD: AVG 0.118209 MAX 0.20487 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 2876.84 LOAD: AVG 0.118209 MAX 0.20487 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: TIME 2876.84 LOAD: AVG 0.118209 MAX 0.20487 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: ============== END OF LOAD BALANCING =============== 2876.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2876.84 PRESSURE: 964400 -129.917 -32.3342 -28.5946 -32.3358 -206.11 24.8571 -28.5955 24.8581 -42.4466 GPRESSURE: 964400 -104.992 -33.8435 -20.4167 0.295277 -132.351 136.371 -27.6471 6.2329 -37.0293 PRESSAVG: 964400 -35.7463 -22.5765 -31.7389 -22.5765 -21.0913 -4.84973 -31.7389 -4.8497 20.0336 GPRESSAVG: 964400 -37.9291 -19.9043 -31.4105 -24.5571 -19.637 -4.25765 -31.7932 -7.41866 21.3742 TIMING: 964400 CPU: 2873.59, 0.00302517/step Wall: 2873.59, 0.00302517/step, 3.39122 hours remaining, 207.222656 MB of memory in use. ENERGY: 964400 760.5164 2156.6941 1938.8271 113.7223 -205861.2583 17684.1666 0.0000 0.0000 34172.4952 -149034.8366 298.4369 -183207.3318 -148935.0230 299.2763 -126.1578 -91.4573 558821.1409 -12.2680 -12.0640 PRESSURE: 964600 56.5966 87.1865 -58.3637 87.1867 -146.296 133.32 -58.3635 133.32 -35.3388 GPRESSURE: 964600 110.536 75.4843 7.92768 98.3818 -126.929 120.312 -91.2249 128.114 -22.213 PRESSAVG: 964600 -24.7516 -6.01897 -4.36762 -6.01897 -22.3747 24.7601 -4.36762 24.7601 79.1042 GPRESSAVG: 964600 -23.6634 -6.77977 -1.11393 -6.59842 -23.4911 23.5124 -4.84557 28.0046 78.5136 TIMING: 964600 CPU: 2874.19, 0.00298347/step Wall: 2874.19, 0.00298347/step, 3.34431 hours remaining, 207.222656 MB of memory in use. ENERGY: 964600 746.4353 2098.1931 1940.7574 115.8130 -206101.4768 17712.1264 0.0000 0.0000 34563.6615 -148924.4900 301.8531 -183488.1515 -148823.6125 299.5826 -41.6794 -12.8687 556786.5219 10.6593 10.4530 PRESSURE: 964800 120.038 64.7039 13.7192 64.7037 109.653 147.043 13.7171 147.044 36.9185 GPRESSURE: 964800 126.919 97.098 30.6467 62.6996 205.92 162.133 53.8398 158.666 50.668 PRESSAVG: 964800 8.52115 74.2834 -26.6178 74.2834 -92.0241 54.9834 -26.6177 54.9834 91.1323 GPRESSAVG: 964800 9.31358 74.4393 -27.0384 74.027 -92.4426 57.2426 -27.0698 51.8942 90.4612 TIMING: 964800 CPU: 2874.78, 0.0029759/step Wall: 2874.78, 0.0029759/step, 3.33565 hours remaining, 207.222656 MB of memory in use. ENERGY: 964800 735.0413 2082.0828 1937.8963 109.1731 -206401.3503 18068.9122 0.0000 0.0000 34415.7210 -149052.5237 300.5611 -183468.2447 -148944.2021 299.9980 88.8699 127.8358 558339.6952 2.5431 2.4441 PRESSURE: 965000 86.8378 -102.244 -33.6232 -102.244 44.6542 139.701 -33.6241 139.702 109.513 GPRESSURE: 965000 112.983 -144.225 -36.435 -114.333 117.901 126.775 -2.70456 241.743 105.939 PRESSAVG: 965000 6.43278 30.4962 13.0836 30.4963 -68.5289 46.916 13.0836 46.916 49.7875 GPRESSAVG: 965000 5.96214 28.6788 12.7834 32.0268 -67.1471 46.6178 12.1302 48.6014 49.0103 TIMING: 965000 CPU: 2875.38, 0.00296431/step Wall: 2875.38, 0.00296431/step, 3.3225 hours remaining, 207.222656 MB of memory in use. ENERGY: 965000 737.4444 2081.2436 1933.1596 121.0381 -206130.4731 17871.4483 0.0000 0.0000 34232.8286 -149153.3106 298.9638 -183386.1392 -149063.7492 299.6937 80.3351 112.2746 558333.8757 -4.1029 -4.0582 PRESSURE: 965200 250.633 -0.953121 47.8984 -0.951727 99.7504 -44.2357 47.8979 -44.2359 -132.13 GPRESSURE: 965200 301.082 42.6409 71.6461 2.3863 75.8794 4.51606 42.9759 -27.2089 -73.2763 PRESSAVG: 965200 9.00192 59.7933 39.2546 59.7934 -61.0121 28.8032 39.2547 28.8031 28.2976 GPRESSAVG: 965200 9.86643 62.4452 37.8283 59.1985 -62.735 29.7346 41.2617 28.1976 29.6245 TIMING: 965200 CPU: 2875.97, 0.00296553/step Wall: 2875.97, 0.00296553/step, 3.3237 hours remaining, 207.480469 MB of memory in use. ENERGY: 965200 760.5935 2068.5483 1944.9711 110.5665 -206031.9449 17849.5465 0.0000 0.0000 34189.6766 -149108.0423 298.5869 -183297.7190 -149013.7463 300.3221 72.7509 101.2284 558128.1808 -7.9042 -7.7480 PRESSURE: 965400 -250.388 -15.4257 -169.993 -15.4259 -119.431 -68.9469 -169.993 -68.9487 -153.547 GPRESSURE: 965400 -190.452 -39.7087 -109.542 -82.0153 -133.157 -104.33 -193.312 -81.7889 -96.5068 PRESSAVG: 965400 -2.06893 38.8229 12.1438 38.8229 -55.4989 -37.2191 12.1438 -37.2189 75.5366 GPRESSAVG: 965400 -3.09506 37.6065 12.9948 40.5508 -54.3453 -37.438 11.2078 -38.0369 75.307 TIMING: 965400 CPU: 2876.57, 0.00297756/step Wall: 2876.57, 0.00297756/step, 3.33701 hours remaining, 207.480469 MB of memory in use. ENERGY: 965400 733.6282 2135.4099 1944.3548 108.6459 -205726.4508 17441.3061 0.0000 0.0000 34171.2051 -149191.9009 298.4256 -183363.1060 -149090.0396 299.2130 -174.4554 -140.0386 558497.5369 5.9896 5.9556 PRESSURE: 965600 10.3137 97.9355 -142.905 97.9353 11.0338 40.3129 -142.904 40.3143 27.7819 GPRESSURE: 965600 10.7411 66.6077 -95.0437 170.966 93.679 75.3868 -150.711 21.4003 44.0773 PRESSAVG: 965600 12.2762 -10.5165 -2.45249 -10.5163 -24.2814 -47.9236 -2.45248 -47.9235 48.3988 GPRESSAVG: 965600 12.4169 -9.61776 -1.62658 -12.4813 -24.4853 -46.7029 -1.53779 -48.9901 48.5989 TIMING: 965600 CPU: 2877.16, 0.00299132/step Wall: 2877.16, 0.00299132/step, 3.35227 hours remaining, 207.480469 MB of memory in use. ENERGY: 965600 740.8546 2056.9797 1900.1793 102.9171 -205957.7507 17719.0655 0.0000 0.0000 34233.6953 -149204.0593 298.9714 -183437.7546 -149107.5171 298.8369 16.3764 49.4991 557206.2261 12.1312 12.1768 PRESSURE: 965800 143.912 -19.0289 -69.7894 -19.0283 -13.669 -7.73645 -69.7885 -7.73638 -1.15406 GPRESSURE: 965800 162.62 -73.3089 -159.348 -42.0764 79.9609 15.0502 -9.86866 25.4113 -14.722 PRESSAVG: 965800 -38.073 47.8932 -65.216 47.8932 31.7442 -17.9423 -65.216 -17.9423 48.2227 GPRESSAVG: 965800 -38.7532 47.7144 -64.1052 48.2741 32.1901 -18.2822 -67.9925 -15.2994 48.1313 TIMING: 965800 CPU: 2877.76, 0.00297602/step Wall: 2877.76, 0.00297602/step, 3.33496 hours remaining, 207.480469 MB of memory in use. ENERGY: 965800 762.5372 2058.9381 1907.8070 97.2801 -206232.3385 17961.9910 0.0000 0.0000 34249.4184 -149194.3666 299.1087 -183443.7850 -149104.6445 298.9788 43.0296 75.9529 557326.2477 13.9647 13.8561 PRESSURE: 966000 -182.711 87.2278 -178.284 87.2276 182.705 -153.118 -178.284 -153.119 3.78547 GPRESSURE: 966000 -112.213 -8.96207 -154.96 89.7 192.099 -200.803 -204.452 -33.7937 27.0444 PRESSAVG: 966000 -10.8344 28.261 -0.528032 28.261 84.2526 -18.8711 -0.528101 -18.8712 -70.8468 GPRESSAVG: 966000 -10.3783 26.8458 -1.79074 31.3524 84.3818 -20.6422 2.11403 -15.8203 -71.3654 TIMING: 966000 CPU: 2878.36, 0.002986/step Wall: 2878.36, 0.002986/step, 3.34598 hours remaining, 207.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 966000 772.6235 2085.5844 1907.3787 110.1264 -206147.0051 17822.1347 0.0000 0.0000 34268.6273 -149180.5301 299.2764 -183449.1574 -149086.4017 298.8351 1.2598 35.6435 557168.1799 0.8571 0.8794 PRESSURE: 966200 -36.1334 -110.752 69.5305 -110.754 11.3653 184.241 69.5305 184.24 -105.657 GPRESSURE: 966200 -57.0656 -119.019 26.329 -137.922 12.1667 214.731 137.578 195.968 0.678237 PRESSAVG: 966200 -50.6009 15.4626 9.44433 15.4626 20.2495 3.83572 9.44429 3.83574 11.4855 GPRESSAVG: 966200 -50.3671 17.6091 9.3032 12.1758 19.6824 4.21606 9.74336 0.378049 11.961 TIMING: 966200 CPU: 2878.96, 0.00301766/step Wall: 2878.96, 0.00301766/step, 3.38129 hours remaining, 207.480469 MB of memory in use. ENERGY: 966200 733.3362 2096.6699 1933.4944 102.4736 -206175.2119 17813.7737 0.0000 0.0000 34337.7198 -149157.7444 299.8798 -183495.4642 -149059.4599 299.1571 -43.4752 -14.7402 558357.8628 -6.2886 -6.2413 PRESSURE: 966400 -244.774 -12.5888 92.7255 -12.5871 -126.511 67.6653 92.7251 67.6648 -5.71488 GPRESSURE: 966400 -233.394 -25.6786 15.8683 14.9568 -93.3566 108.69 145.71 15.7912 49.3282 PRESSAVG: 966400 -39.5312 7.58134 54.7047 7.58134 17.4409 10.1305 54.7047 10.1305 9.39965 GPRESSAVG: 966400 -41.1638 4.97448 54.0115 9.52518 17.539 10.0613 53.9062 9.10379 11.0696 TIMING: 966400 CPU: 2879.57, 0.00304539/step Wall: 2879.57, 0.00304539/step, 3.41219 hours remaining, 207.480469 MB of memory in use. ENERGY: 966400 764.9227 2089.5268 1920.5830 106.8610 -205898.6588 17590.0317 0.0000 0.0000 34334.6813 -149092.0524 299.8533 -183426.7337 -148992.4144 299.2491 -125.6666 -92.4740 558203.9398 -4.2302 -4.1851 PRESSURE: 966600 271.329 12.8477 61.9325 12.8483 115.556 71.2277 61.9328 71.2277 297.009 GPRESSURE: 966600 338.685 27.715 80.2373 -16.4102 160.509 23.4038 65.5125 23.4504 274.666 PRESSAVG: 966600 24.4456 -10.8276 -4.7119 -10.8276 -24.6471 4.90456 -4.71181 4.90459 6.78682 GPRESSAVG: 966600 25.8734 -9.70549 -5.56662 -11.2986 -24.4126 4.49401 -4.82778 5.32002 4.80124 TIMING: 966600 CPU: 2880.17, 0.00298941/step Wall: 2880.17, 0.00298941/step, 3.34931 hours remaining, 207.480469 MB of memory in use. ENERGY: 966600 756.0065 2118.5076 1923.0110 111.7498 -206474.9560 18148.5345 0.0000 0.0000 34368.4087 -149048.7379 300.1479 -183417.1466 -148942.2267 299.7984 227.9646 257.9532 557669.3586 2.1951 2.0873 PRESSURE: 966800 104.486 -29.4921 -78.6305 -29.4923 -9.67879 9.00893 -78.6292 9.00945 158.93 GPRESSURE: 966800 143.676 -84.9236 -52.2421 -5.99941 -28.2228 51.5837 -180.094 -57.0043 240.968 PRESSAVG: 966800 62.6024 -9.05193 -3.29172 -9.05188 -55.6233 13.6197 -3.29165 13.6197 30.4755 GPRESSAVG: 966800 62.2861 -10.5776 -1.68834 -7.58449 -55.5346 14.6789 -2.56221 13.2909 30.8357 TIMING: 966800 CPU: 2880.77, 0.00299457/step Wall: 2880.77, 0.00299457/step, 3.35492 hours remaining, 207.480469 MB of memory in use. ENERGY: 966800 729.9742 2118.0046 1956.4451 106.5499 -205731.3819 17693.3712 0.0000 0.0000 34197.3081 -148929.7289 298.6536 -183127.0370 -148843.6317 299.5707 84.5791 118.8072 557630.9102 12.4849 12.5290 PRESSURE: 967000 -159.505 92.5351 -10.3742 92.5351 -147.345 31.1328 -10.3733 31.1323 -52.5292 GPRESSURE: 967000 -108.328 104.495 -21.3298 153.988 -112.191 65.2288 -23.2384 39.3076 -33.9564 PRESSAVG: 967000 -36.2348 -29.0144 -2.39686 -29.0144 -100.216 4.89776 -2.39686 4.89772 89.7535 GPRESSAVG: 967000 -36.1387 -27.4861 -2.93049 -30.4514 -100.001 2.73572 -3.09694 5.9849 89.5244 TIMING: 967000 CPU: 2881.37, 0.00299763/step Wall: 2881.37, 0.00299763/step, 3.35818 hours remaining, 207.480469 MB of memory in use. ENERGY: 967000 743.2641 2081.3134 1936.9791 110.4782 -205839.4508 17698.6002 0.0000 0.0000 34283.8918 -148984.9240 299.4098 -183268.8158 -148883.4538 299.4661 -119.7931 -84.8250 557402.7597 -15.5657 -15.5384 PRESSURE: 967200 104.108 -10.822 59.0434 -10.8226 171.035 29.0076 59.0429 29.0095 59.6696 GPRESSURE: 967200 147.495 9.43237 37.2404 -6.04704 138.336 -48.537 53.5166 124.81 136.114 PRESSAVG: 967200 59.8779 27.1183 -24.5066 27.1183 6.18722 46.9436 -24.5066 46.9436 -12.3687 GPRESSAVG: 967200 60.1872 26.8579 -22.7838 28.6044 5.00086 48.2181 -25.1855 46.4357 -11.4004 TIMING: 967200 CPU: 2881.97, 0.00302131/step Wall: 2881.97, 0.00302131/step, 3.38454 hours remaining, 207.480469 MB of memory in use. ENERGY: 967200 727.8990 2076.2064 1916.5299 116.6095 -205937.2756 17975.6925 0.0000 0.0000 34117.9574 -149006.3809 297.9606 -183124.3382 -148906.9692 299.6490 111.6040 140.6486 556862.4812 17.8988 17.9292 PRESSURE: 967400 189.902 -81.654 90.6467 -81.6531 204.882 -153.867 90.6458 -153.867 62.5798 GPRESSURE: 967400 226.747 -90.4257 13.1463 -32.8841 252.55 -177.696 22.021 -110.283 56.7537 PRESSAVG: 967400 18.735 16.8541 7.57418 16.8541 -29.9779 42.2526 7.57418 42.2527 27.661 GPRESSAVG: 967400 18.7223 16.8717 6.2054 15.7061 -29.4385 43.4265 10.3162 43.1308 26.7975 TIMING: 967400 CPU: 2882.57, 0.00300499/step Wall: 2882.57, 0.00300499/step, 3.36609 hours remaining, 207.480469 MB of memory in use. ENERGY: 967400 755.5922 2128.3475 1902.3539 106.7431 -206322.8849 18123.0775 0.0000 0.0000 34245.1958 -149061.5748 299.0718 -183306.7706 -148967.4102 299.7994 152.4546 178.6836 557130.5721 5.4727 5.3604 PRESSURE: 967600 -118.224 -76.9714 -44.7641 -76.9697 112.599 0.770705 -44.7628 0.769914 -173.344 GPRESSURE: 967600 -84.634 -92.7448 -122.856 -49.8131 142.14 30.9684 -63.0146 -18.0154 -146.725 PRESSAVG: 967600 19.213 7.47104 76.5163 7.47095 24.8487 29.863 76.5163 29.8631 -37.4044 GPRESSAVG: 967600 20.6854 8.10196 77.9581 6.83236 24.1333 29.8989 75.6722 29.0038 -37.2126 TIMING: 967600 CPU: 2883.17, 0.00300557/step Wall: 2883.17, 0.00300557/step, 3.36657 hours remaining, 207.480469 MB of memory in use. ENERGY: 967600 736.0299 2084.3868 1933.6478 114.8959 -206258.7698 17782.1157 0.0000 0.0000 34503.1375 -149104.5562 301.3245 -183607.6937 -149005.7435 300.3337 -59.6560 -29.7399 557871.3425 2.2191 2.5354 PRESSURE: 967800 186.857 71.1433 119.555 71.1438 67.6481 40.8221 119.557 40.8203 95.1043 GPRESSURE: 967800 238.865 48.4805 77.3138 55.5253 78.4408 64.1047 172.931 55.3591 130.34 PRESSAVG: 967800 -11.9633 -30.6949 -1.53186 -30.6949 -52.2504 7.3288 -1.53187 7.32873 70.6903 GPRESSAVG: 967800 -13.9788 -31.0719 -2.81492 -31.5588 -50.3302 6.52002 -2.05428 8.18483 71.291 TIMING: 967800 CPU: 2883.77, 0.00298023/step Wall: 2883.77, 0.00298023/step, 3.33802 hours remaining, 207.480469 MB of memory in use. ENERGY: 967800 729.2236 2067.0485 1953.4335 124.1871 -206307.6006 17980.7632 0.0000 0.0000 34324.4510 -149128.4937 299.7640 -183452.9447 -149034.4212 299.2442 116.5363 149.2154 558116.7980 2.1589 2.3273 PRESSURE: 968000 51.3299 -46.0436 -19.6976 -46.0446 37.8882 -66.9489 -19.6978 -66.9503 257.828 GPRESSURE: 968000 125.292 -22.6678 -30.2498 -135.666 26.8376 29.3692 -1.64662 -130.793 292.31 PRESSAVG: 968000 19.1021 -13.5112 0.712655 -13.5113 2.03034 -17.5354 0.712707 -17.5353 28.7221 GPRESSAVG: 968000 20.1649 -13.5363 0.360819 -13.9425 1.44606 -15.8657 1.93524 -18.845 28.6972 TIMING: 968000 CPU: 2884.37, 0.00298864/step Wall: 2884.37, 0.00298864/step, 3.34728 hours remaining, 207.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 968000 746.7340 2089.8101 1905.8639 96.9387 -206261.1193 17918.3073 0.0000 0.0000 34269.9332 -149233.5321 299.2879 -183503.4654 -149133.0475 298.9992 115.6822 148.1467 557270.2051 16.6182 16.7694 PRESSURE: 968200 1.11668 105.769 -28.199 105.768 -61.3762 29.1612 -28.1983 29.1624 193.878 GPRESSURE: 968200 8.65205 68.3784 -97.0632 87.1866 -24.7441 13.725 -53.4724 46.9571 237.94 PRESSAVG: 968200 -41.9914 -9.35043 -17.8325 -9.35041 -22.1929 -66.1228 -17.8325 -66.1228 61.6146 GPRESSAVG: 968200 -42.0618 -10.3361 -16.9578 -7.87131 -22.5066 -68.9498 -18.9226 -63.1838 61.7003 TIMING: 968200 CPU: 2884.96, 0.00298787/step Wall: 2884.96, 0.00298787/step, 3.34625 hours remaining, 207.480469 MB of memory in use. ENERGY: 968200 755.5158 2080.7302 1923.3631 116.5494 -206065.7011 17740.6119 0.0000 0.0000 34204.2765 -149244.6542 298.7145 -183448.9306 -149145.8423 299.4052 44.5395 73.9492 556334.3517 -0.8566 -0.9560 LDB: ============= START OF LOAD BALANCING ============== 2888.51 LDB: ============== END OF LOAD BALANCING =============== 2888.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2888.51 LDB: ============= START OF LOAD BALANCING ============== 2888.81 LDB: Largest compute 4773 load 0.028733 is 24.3% of average load 0.118195 LDB: Average compute 0.001731 is 1.5% of average load 0.118195 LDB: TIME 2888.81 LOAD: AVG 0.118195 MAX 0.20679 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 2888.81 LOAD: AVG 0.118195 MAX 0.20679 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 2888.81 LOAD: AVG 0.118195 MAX 0.20679 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2888.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2888.82 PRESSURE: 968400 190.209 -16.0709 -161.432 -16.0702 -223.252 18.8589 -161.433 18.858 -31.4629 GPRESSURE: 968400 147.954 -55.1849 -149.918 -25.8544 -152.544 100.805 -210.14 -52.9948 36.9881 PRESSAVG: 968400 47.5677 -27.5896 34.1823 -27.5896 -32.1703 -14.4979 34.1822 -14.4979 -51.786 GPRESSAVG: 968400 46.4708 -29.1675 34.8037 -27.791 -31.022 -12.0444 33.7075 -15.9099 -51.9377 TIMING: 968400 CPU: 2885.57, 0.00302542/step Wall: 2885.57, 0.00302542/step, 3.38814 hours remaining, 207.992188 MB of memory in use. ENERGY: 968400 761.6462 2083.3358 1904.8276 102.7119 -206227.5126 17892.3747 0.0000 0.0000 34169.9632 -149312.6532 298.4148 -183482.6164 -149220.6521 299.2091 -21.5019 10.7994 558960.7318 -12.1295 -12.1630 PRESSURE: 968600 417.062 -261.181 24.9335 -261.182 303.132 99.1643 24.9335 99.1645 109.012 GPRESSURE: 968600 434.355 -209.398 -22.611 -210.07 323.842 14.3629 38.3468 143.083 164.899 PRESSAVG: 968600 29.6816 -36.6841 7.28125 -36.684 72.0193 3.768 7.28119 3.76792 -90.4211 GPRESSAVG: 968600 29.9432 -35.5381 5.94789 -36.1959 71.4139 1.43046 8.19399 4.16524 -89.5914 TIMING: 968600 CPU: 2886.17, 0.00298466/step Wall: 2886.17, 0.00298466/step, 3.34232 hours remaining, 208.195312 MB of memory in use. ENERGY: 968600 739.7840 2127.5538 1900.4289 125.8263 -206870.7986 18440.9084 0.0000 0.0000 34200.3676 -149335.9296 298.6803 -183536.2971 -149240.7381 300.0395 276.4019 307.6989 556405.3258 3.7599 3.9219 PRESSURE: 968800 -291.502 -42.1497 -24.9003 -42.149 -451.003 -119.974 -24.9005 -119.973 -318.544 GPRESSURE: 968800 -287.887 -6.17965 -92.6687 -125.463 -421.913 -104.091 40.0523 -16.1105 -236.311 PRESSAVG: 968800 29.4233 -17.2789 -9.59818 -17.2789 -9.76384 45.1358 -9.59819 45.136 -14.1199 GPRESSAVG: 968800 29.858 -14.168 -9.58056 -19.3137 -8.91916 45.1183 -8.73597 46.2073 -14.8933 TIMING: 968800 CPU: 2886.76, 0.00297638/step Wall: 2886.76, 0.00297638/step, 3.33288 hours remaining, 208.195312 MB of memory in use. ENERGY: 968800 770.5149 2092.2073 1920.6950 106.1045 -205597.1019 17415.3087 0.0000 0.0000 34102.7094 -149189.5621 297.8274 -183292.2715 -149090.0378 299.6578 -353.6832 -315.3704 557301.5008 1.8465 2.0152 PRESSURE: 969000 225.601 -29.4837 84.5054 -29.4845 -57.419 103.397 84.5057 103.395 -84.6444 GPRESSURE: 969000 190.011 -30.4781 109.213 -103.641 49.165 118.605 54.4996 122.038 -57.5921 PRESSAVG: 969000 29.9648 3.18436 40.5464 3.18438 32.8015 40.2124 40.5463 40.2124 -52.7441 GPRESSAVG: 969000 30.8791 0.56044 41.1169 4.19427 30.9298 40.7255 38.4706 38.3539 -51.4074 TIMING: 969000 CPU: 2887.35, 0.00296611/step Wall: 2887.35, 0.00296611/step, 3.32122 hours remaining, 208.195312 MB of memory in use. ENERGY: 969000 763.6597 2075.7341 1906.7447 112.7786 -206375.5831 18011.4179 0.0000 0.0000 34345.9477 -149159.3005 299.9517 -183505.2481 -149059.0863 299.5523 27.8459 60.5279 558202.8812 3.3407 3.4672 PRESSURE: 969200 168.035 86.5944 -18.4879 86.5957 239.648 -99.9379 -18.489 -99.9371 106.316 GPRESSURE: 969200 198.448 74.6444 40.2353 87.8257 339.899 -144.9 -86.0122 -204.425 84.9194 PRESSAVG: 969200 23.155 20.0276 9.04543 20.0275 -11.3135 19.5829 9.0453 19.5829 21.855 GPRESSAVG: 969200 22.3981 21.469 8.02265 20.02 -9.95956 19.6128 10.9444 19.9085 21.3026 TIMING: 969200 CPU: 2887.95, 0.00298112/step Wall: 2887.95, 0.00298112/step, 3.33786 hours remaining, 208.195312 MB of memory in use. ENERGY: 969200 709.0474 2076.4021 1898.1421 92.3643 -206275.9604 17950.6845 0.0000 0.0000 34335.5375 -149213.7825 299.8608 -183549.3200 -149119.2643 299.5243 171.3331 207.7555 556961.6414 11.2322 11.2471 PRESSURE: 969400 -110.274 195.745 -16.4787 195.745 -285.564 62.5307 -16.4788 62.5306 -24.9044 GPRESSURE: 969400 -155.066 227.953 -22.9354 117.15 -202.218 74.3285 -8.23327 132.927 34.6833 PRESSAVG: 969400 41.0131 -2.54787 9.83038 -2.54774 -31.9338 -35.9384 9.8304 -35.9384 18.7873 GPRESSAVG: 969400 39.5642 -0.184639 10.3966 -4.83899 -32.3608 -35.3679 8.69044 -35.0158 20.5368 TIMING: 969400 CPU: 2888.55, 0.00297645/step Wall: 2888.55, 0.00297644/step, 3.33246 hours remaining, 208.195312 MB of memory in use. ENERGY: 969400 716.7652 2075.4683 1925.0660 107.2622 -206162.8496 17634.0599 0.0000 0.0000 34331.9141 -149372.3140 299.8291 -183704.2281 -149279.6200 299.1956 -140.2475 -107.5337 558203.2621 9.2889 9.2467 PRESSURE: 969600 -243.668 125.946 139.684 125.945 -44.3753 -40.8321 139.683 -40.8309 95.6573 GPRESSURE: 969600 -182.179 144.541 107.512 86.4108 -18.7887 -27.2903 119.886 -57.0715 124.109 PRESSAVG: 969600 1.30727 -13.7756 35.3909 -13.7757 43.4418 16.9385 35.391 16.9385 -15.4503 GPRESSAVG: 969600 1.67462 -16.3329 35.4237 -11.7047 43.5808 16.5523 34.6757 15.1564 -16.0888 TIMING: 969600 CPU: 2889.14, 0.00298343/step Wall: 2889.14, 0.00298343/step, 3.34012 hours remaining, 208.195312 MB of memory in use. ENERGY: 969600 781.8529 2090.7003 1883.2526 124.1711 -206284.0419 17899.7670 0.0000 0.0000 34189.4411 -149314.8569 298.5849 -183504.2980 -149220.9948 299.6393 -64.1287 -25.6197 556788.8546 9.7662 9.7222 PRESSURE: 969800 -47.371 -72.5426 -94.9609 -72.5415 101.135 -134.392 -94.9619 -134.391 -126.145 GPRESSURE: 969800 -68.3462 -111.44 -180.13 -4.24377 110.877 -129.372 -86.972 -122.126 -23.5378 PRESSAVG: 969800 -14.3494 21.4169 37.009 21.417 26.8037 -24.0272 37.0091 -24.0272 -20.2546 GPRESSAVG: 969800 -12.8688 23.1721 36.6671 19.9911 25.2523 -24.7565 39.1218 -22.7294 -20.6609 TIMING: 969800 CPU: 2889.74, 0.00299548/step Wall: 2889.74, 0.00299548/step, 3.35344 hours remaining, 208.195312 MB of memory in use. ENERGY: 969800 774.0693 2093.6045 1894.2210 104.9456 -206384.5458 17901.4436 0.0000 0.0000 34424.1892 -149192.0725 300.6350 -183616.2617 -149089.7214 299.4440 -24.1270 6.3311 557908.0462 -2.6001 -2.7591 PRESSURE: 970000 258.617 72.6644 89.6184 72.664 65.1705 -37.6121 89.6189 -37.6125 195.663 GPRESSURE: 970000 277.534 90.9446 90.9702 62.9952 143.876 20.7697 97.4419 -9.15088 202.503 PRESSAVG: 970000 27.7586 56.8372 85.219 56.8373 -6.2654 21.5983 85.219 21.5984 1.42435 GPRESSAVG: 970000 26.8906 55.1956 85.4925 57.6585 -4.55862 21.1037 85.0606 21.3452 0.965594 TIMING: 970000 CPU: 2890.34, 0.0029958/step Wall: 2890.34, 0.0029958/step, 3.35364 hours remaining, 208.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 970000 708.9184 2134.1716 1891.3456 110.2937 -206318.6238 18035.0580 0.0000 0.0000 34239.3555 -149199.4810 299.0208 -183438.8365 -149106.1858 299.8908 173.1500 207.9710 557096.6538 7.6392 7.7659 PRESSURE: 970200 127.503 -87.4279 80.8908 -87.4281 140.005 227.533 80.8899 227.536 69.37 GPRESSURE: 970200 183.83 -139.454 18.2355 -54.8684 148.252 161.611 92.42 249.168 110.522 PRESSAVG: 970200 67.3962 -11.474 10.3767 -11.4741 -16.33 3.77609 10.3768 3.77608 -17.5942 GPRESSAVG: 970200 67.8488 -11.7907 10.4045 -10.1187 -17.2832 6.07277 8.91238 4.49336 -17.2091 TIMING: 970200 CPU: 2890.93, 0.00295505/step Wall: 2890.93, 0.00295505/step, 3.30786 hours remaining, 208.195312 MB of memory in use. ENERGY: 970200 707.1813 2127.5698 1927.5524 101.4463 -206398.6285 17932.9788 0.0000 0.0000 34301.0403 -149300.8594 299.5595 -183601.8998 -149196.6359 298.9706 112.2927 147.5347 557676.1198 11.1574 11.1188 PRESSURE: 970400 66.5937 -120.337 -20.4786 -120.338 -53.2389 -11.7263 -20.4773 -11.7258 -42.8229 GPRESSURE: 970400 72.8018 -153.143 -82.523 -127.027 -42.1258 21.6575 10.1517 -29.1829 38.6721 PRESSAVG: 970400 69.1567 -48.4167 39.389 -48.4167 17.5226 -18.1296 39.3891 -18.1296 -43.6328 GPRESSAVG: 970400 69.2978 -46.6252 40.1378 -49.583 17.9274 -20.6955 39.401 -16.3608 -44.2684 TIMING: 970400 CPU: 2891.53, 0.00298257/step Wall: 2891.53, 0.00298257/step, 3.33849 hours remaining, 208.195312 MB of memory in use. ENERGY: 970400 737.7145 2094.2522 1919.6635 121.8947 -206608.5397 17970.4840 0.0000 0.0000 34648.7893 -149115.7415 302.5965 -183764.5308 -149022.9241 298.9506 -9.8227 23.1160 558094.9987 14.3488 14.3190 PRESSURE: 970600 133.641 53.674 3.38746 53.6727 14.2781 -16.0236 3.38726 -16.0226 -38.3537 GPRESSURE: 970600 116.843 149.6 59.5176 31.1297 45.6538 -28.9432 -8.28491 50.4649 57.9809 PRESSAVG: 970600 64.4824 -2.20448 11.824 -2.20444 -23.7002 -3.03111 11.8238 -3.03116 -90.0747 GPRESSAVG: 970600 63.761 -1.65353 11.4492 -1.76233 -23.3719 -1.59163 13.9364 -4.72205 -89.6279 TIMING: 970600 CPU: 2892.13, 0.00299952/step Wall: 2892.13, 0.00299952/step, 3.3573 hours remaining, 208.195312 MB of memory in use. ENERGY: 970600 729.3107 2093.3314 1918.8148 105.5846 -206233.2835 17998.0651 0.0000 0.0000 34415.8349 -148972.3422 300.5620 -183388.1771 -148874.7700 300.4523 36.5219 73.4925 558115.4118 -16.4308 -16.4130 PRESSURE: 970800 154.238 -177.939 -24.3765 -177.939 197.018 160.755 -24.3759 160.755 40.5086 GPRESSURE: 970800 204.593 -129.757 -29.3156 -147.134 233.678 249.276 48.8216 65.2975 54.6978 PRESSAVG: 970800 48.9766 -23.1026 11.4183 -23.1026 -7.57702 22.4925 11.4183 22.4925 -70.3821 GPRESSAVG: 970800 49.3629 -23.5758 11.4834 -23.7865 -7.32348 21.5889 10.0541 22.523 -70.4 TIMING: 970800 CPU: 2892.72, 0.00296993/step Wall: 2892.72, 0.00296993/step, 3.32401 hours remaining, 208.195312 MB of memory in use. ENERGY: 970800 780.8594 2158.1701 1925.4381 100.6508 -206413.7630 18182.6810 0.0000 0.0000 34278.7449 -148987.2187 299.3648 -183265.9637 -148896.5039 299.7092 130.5882 164.3231 557720.0550 -9.6609 -9.4535 PRESSURE: 971000 -84.2289 -184.857 -136.637 -184.858 -43.6352 -1.64644 -136.637 -1.64498 -70.7875 GPRESSURE: 971000 -36.7607 -159.471 -116.647 -214.716 -1.9785 22.3428 -99.2036 -44.8486 -61.2547 PRESSAVG: 971000 13.8446 -16.5544 20.4463 -16.5543 -23.0422 -12.6498 20.4463 -12.6499 -3.94742 GPRESSAVG: 971000 14.0107 -16.9951 20.4037 -17.1131 -23.5172 -12.7087 20.9996 -11.9726 -3.79718 TIMING: 971000 CPU: 2893.32, 0.00296974/step Wall: 2893.32, 0.00296974/step, 3.32363 hours remaining, 208.195312 MB of memory in use. ENERGY: 971000 753.0193 2064.4682 1933.2303 106.1620 -205813.2550 17664.6241 0.0000 0.0000 34174.9346 -149116.8165 298.4582 -183291.7510 -149018.3195 299.4342 -66.2172 -33.3313 557523.9659 -4.3817 -4.4345 PRESSURE: 971200 -35.0297 -50.8769 -136.827 -50.876 23.8935 -64.7444 -136.827 -64.7442 -206.224 GPRESSURE: 971200 -76.6668 -92.0468 -160.727 -25.6072 58.3321 10.0294 -125.683 -172.594 -108.088 PRESSAVG: 971200 38.6436 30.1548 -5.80967 30.1548 7.24287 -38.2831 -5.80975 -38.2832 24.2586 GPRESSAVG: 971200 38.9126 30.5194 -6.43762 31.1548 6.27942 -38.4565 -5.77544 -38.6374 24.951 TIMING: 971200 CPU: 2893.91, 0.00294672/step Wall: 2893.91, 0.00294672/step, 3.29771 hours remaining, 208.195312 MB of memory in use. ENERGY: 971200 736.3629 2125.1709 1922.5855 113.1949 -206189.5352 17811.9999 0.0000 0.0000 34250.7030 -149229.5181 299.1199 -183480.2212 -149136.9201 299.1009 -72.4536 -42.1410 558452.2102 23.3817 23.3810 PRESSURE: 971400 -111.667 -80.1732 41.5466 -80.172 -141.894 8.38677 41.5475 8.38567 128.638 GPRESSURE: 971400 -64.9052 -97.0494 -39.967 -70.7609 -95.5063 -0.023255 47.8348 47.1853 140.846 PRESSAVG: 971400 -4.93703 50.4643 -20.8292 50.4643 26.9944 7.99763 -20.8292 7.99758 -23.2933 GPRESSAVG: 971400 -5.25326 49.3476 -20.6649 50.2328 27.6525 10.8781 -23.1396 7.7416 -23.6906 TIMING: 971400 CPU: 2894.49, 0.00293987/step Wall: 2894.49, 0.00293987/step, 3.28988 hours remaining, 208.195312 MB of memory in use. ENERGY: 971400 750.5229 2081.9755 1930.5380 115.9467 -206204.6717 17854.1384 0.0000 0.0000 34033.4119 -149438.1383 297.2223 -183471.5503 -149340.8907 298.0683 -41.6407 -6.5220 558947.7500 -0.4120 -0.4305 PRESSURE: 971600 -41.171 -67.4421 -42.2117 -67.4424 -109 -31.8973 -42.2116 -31.8974 237.267 GPRESSURE: 971600 34.2269 -131.156 -48.1334 -152.694 -121.518 -69.376 -48.0418 -13.0768 283.377 PRESSAVG: 971600 7.27548 12.9972 -0.742309 12.9973 -56.6954 7.88875 -0.742399 7.88873 71.3911 GPRESSAVG: 971600 7.31727 14.3599 1.24893 13.1612 -57.8076 3.84341 -2.14365 7.95882 72.7463 TIMING: 971600 CPU: 2895.09, 0.00297407/step Wall: 2895.09, 0.00297407/step, 3.32799 hours remaining, 208.195312 MB of memory in use. ENERGY: 971600 735.5354 2094.9467 1915.3988 111.8060 -206641.0095 17997.8986 0.0000 0.0000 34260.6553 -149524.7687 299.2068 -183785.4240 -149431.3565 298.2232 29.0319 65.3620 558948.5399 7.3237 7.4187 PRESSURE: 971800 76.3926 209.539 43.133 209.538 -30.522 160.878 43.1339 160.879 -228.283 GPRESSURE: 971800 70.6769 143.868 13.4824 283.185 31.5287 228.363 60.0398 166.333 -181.114 PRESSAVG: 971800 1.17943 -10.7427 1.31824 -10.7428 -42.4063 27.6404 1.31813 27.6405 66.1396 GPRESSAVG: 971800 0.69854 -12.0997 -0.892333 -10.5125 -40.7461 29.035 4.2787 27.4132 65.0536 TIMING: 971800 CPU: 2895.68, 0.00295733/step Wall: 2895.68, 0.00295733/step, 3.30909 hours remaining, 208.195312 MB of memory in use. ENERGY: 971800 751.1843 2083.0403 1921.1157 105.4837 -206303.0359 17756.2382 0.0000 0.0000 34111.1778 -149574.7959 297.9014 -183685.9738 -149473.2006 297.7815 -60.8040 -26.3028 558624.6413 8.3042 8.3353 PRESSURE: 972000 209.926 -119.707 170.405 -119.707 -13.1462 -126.419 170.406 -126.42 -38.4936 GPRESSURE: 972000 219.449 -173.392 194.777 -125.56 18.1638 -120.664 130.591 -116.529 18.2331 PRESSAVG: 972000 -38.1525 18.2106 30.1846 18.2107 31.9954 -2.41755 30.1846 -2.4174 -13.9444 GPRESSAVG: 972000 -39.0744 19.1947 30.4994 17.2334 32.0322 -4.1282 28.4125 -0.693709 -14.0548 TIMING: 972000 CPU: 2896.28, 0.00298326/step Wall: 2896.28, 0.00298326/step, 3.33794 hours remaining, 208.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 972000 733.9782 2074.7674 1920.5591 97.4408 -206403.2966 18000.3936 0.0000 0.0000 34123.6974 -149452.4601 298.0107 -183576.1575 -149355.6493 298.4422 52.7621 85.2820 557297.6953 -6.7005 -7.0323 PRESSURE: 972200 -95.0087 -77.9587 25.1186 -77.9585 -117.008 142.818 25.1177 142.818 -30.9237 GPRESSURE: 972200 -97.6988 -159.13 2.73087 -25.6515 -58.0304 105.243 66.3179 111.644 23.9709 PRESSAVG: 972200 37.0165 5.76342 24.4432 5.76346 -23.4958 -9.85885 24.4433 -9.85894 17.0805 GPRESSAVG: 972200 37.774 4.10284 23.758 6.70324 -24.572 -6.53224 26.6747 -13.335 17.6799 TIMING: 972200 CPU: 2896.87, 0.00297854/step Wall: 2896.87, 0.00297854/step, 3.33249 hours remaining, 208.195312 MB of memory in use. ENERGY: 972200 766.2888 2080.2239 1940.0384 107.3475 -206246.7293 17734.5080 0.0000 0.0000 34279.1633 -149339.1595 299.3685 -183618.3227 -149250.1132 298.9374 -80.9800 -43.9194 557042.6860 10.2004 10.2940 LDB: ============= START OF LOAD BALANCING ============== 2900.42 LDB: ============== END OF LOAD BALANCING =============== 2900.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2900.43 LDB: ============= START OF LOAD BALANCING ============== 2900.73 LDB: Largest compute 4773 load 0.027200 is 23.0% of average load 0.118194 LDB: Average compute 0.001724 is 1.5% of average load 0.118194 LDB: TIME 2900.73 LOAD: AVG 0.118194 MAX 0.208935 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.836 MB LDB: TIME 2900.73 LOAD: AVG 0.118194 MAX 0.208935 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.836 MB LDB: TIME 2900.73 LOAD: AVG 0.118194 MAX 0.208935 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.836 MB LDB: ============== END OF LOAD BALANCING =============== 2900.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2900.74 PRESSURE: 972400 -82.1165 -30.8329 82.24 -30.8325 199.275 -37.4548 82.2398 -37.4539 -189.433 GPRESSURE: 972400 -48.1122 18.1651 114.257 -7.55639 220.363 -31.4676 114.938 -6.01084 -147.146 PRESSAVG: 972400 -2.69477 -39.6482 -2.85114 -39.6484 -21.8191 -87.9048 -2.85117 -87.9048 26.0656 GPRESSAVG: 972400 -3.53053 -40.6589 -1.76525 -39.5811 -21.21 -88.6577 -3.79251 -88.1093 26.3564 TIMING: 972400 CPU: 2897.49, 0.00307346/step Wall: 2897.49, 0.00307346/step, 3.43852 hours remaining, 206.773438 MB of memory in use. ENERGY: 972400 756.1573 2095.5127 1918.2274 109.5021 -206661.9225 17896.8885 0.0000 0.0000 34436.0011 -149449.6335 300.7382 -183885.6346 -149345.5432 298.8242 -24.0913 8.3684 556990.1297 0.5173 0.5386 PRESSURE: 972600 237.449 17.4376 292.624 17.4377 61.3028 40.0782 292.624 40.0783 -102.586 GPRESSURE: 972600 308.347 11.4522 285.356 73.483 101.845 -58.266 266.978 69.3766 -119.973 PRESSAVG: 972600 44.3084 -37.769 -2.88649 -37.769 -3.29753 16.3189 -2.88647 16.3189 4.73833 GPRESSAVG: 972600 44.8669 -35.619 -1.06708 -38.7943 -3.36209 14.8273 -3.84181 19.1543 4.07294 TIMING: 972600 CPU: 2898.09, 0.00300007/step Wall: 2898.09, 0.00300007/step, 3.35624 hours remaining, 206.773438 MB of memory in use. ENERGY: 972600 730.6325 2033.8619 1926.7516 108.3433 -206337.8236 17975.0395 0.0000 0.0000 34374.9102 -149188.2846 300.2046 -183563.1948 -149089.6875 298.7465 65.3885 96.7395 557058.3206 15.2497 15.1926 PRESSURE: 972800 -106.995 -122.417 -112.68 -122.417 -286.883 -168.592 -112.679 -168.591 -139.641 GPRESSURE: 972800 -73.0079 -46.5767 -164.85 -50.0558 -276.626 -100.066 -67.8753 -164.567 -86.7492 PRESSAVG: 972800 -28.2918 8.63964 9.6031 8.63963 -1.46885 -12.6023 9.60314 -12.6021 -7.38626 GPRESSAVG: 972800 -28.5185 7.47554 6.58271 8.91974 -1.05806 -13.2088 11.2011 -13.9964 -7.44459 TIMING: 972800 CPU: 2898.68, 0.00299086/step Wall: 2898.68, 0.00299086/step, 3.34578 hours remaining, 206.773438 MB of memory in use. ENERGY: 972800 727.4777 2055.1532 1955.1229 121.4842 -205860.9449 17563.4998 0.0000 0.0000 34198.6379 -149239.5693 298.6652 -183438.2072 -149135.7815 298.9933 -177.8398 -145.4609 557126.1964 -12.3823 -12.3404 PRESSURE: 973000 -283.211 -12.2988 -61.7656 -12.2996 -224.863 -44.7452 -61.7655 -44.7435 -32.2257 GPRESSURE: 973000 -319.959 -7.83167 -106.798 -45.6164 -132.835 -77.3475 -35.5825 -92.7915 17.7931 PRESSAVG: 973000 58.4817 -6.57359 55.5113 -6.57362 -17.2153 -84.8609 55.5113 -84.8608 18.0811 GPRESSAVG: 973000 58.0848 -7.35622 55.4595 -6.64724 -17.717 -83.8818 57.3987 -85.8657 18.4169 TIMING: 973000 CPU: 2899.28, 0.00296967/step Wall: 2899.28, 0.00296967/step, 3.3219 hours remaining, 206.773438 MB of memory in use. ENERGY: 973000 752.2527 2089.2040 1923.7294 111.1691 -205818.6740 17522.7534 0.0000 0.0000 34080.3190 -149339.2464 297.6319 -183419.5654 -149249.0559 298.3935 -180.0998 -145.0005 559189.4394 19.7825 19.5949 PRESSURE: 973200 24.9505 9.30398 144.563 9.30462 -140.302 -38.2694 144.563 -38.2698 -270.976 GPRESSURE: 973200 20.9911 -60.3089 144.886 47.7622 -28.8106 -54.8717 57.218 -89.2816 -285.849 PRESSAVG: 973200 4.48357 21.5483 78.8688 21.5483 -8.46684 -29.2434 78.8688 -29.2434 27.6962 GPRESSAVG: 973200 4.23461 22.2833 79.1823 19.8486 -8.57965 -30.0486 77.4433 -25.5335 27.8894 TIMING: 973200 CPU: 2899.87, 0.00295447/step Wall: 2899.87, 0.00295447/step, 3.30473 hours remaining, 206.773438 MB of memory in use. ENERGY: 973200 751.5240 2067.4431 1939.5559 97.1328 -206032.4337 17584.0126 0.0000 0.0000 34289.3392 -149303.4260 299.4573 -183592.7652 -149201.8949 298.6035 -128.7759 -97.8894 558136.3947 7.9043 7.8481 PRESSURE: 973400 -67.3527 -94.4516 39.5221 -94.4513 -53.7982 -114.758 39.5218 -114.758 163.396 GPRESSURE: 973400 -41.4493 -140.975 5.57329 -52.8124 -8.13842 -115.036 -3.94345 -184.009 195.116 PRESSAVG: 973400 49.2243 -38.133 54.1249 -38.1329 20.0052 -20.3764 54.1249 -20.3763 -108.893 GPRESSAVG: 973400 49.5499 -37.0513 54.1975 -37.047 20.9801 -21.3602 54.268 -21.7221 -109.658 TIMING: 973400 CPU: 2900.46, 0.00295042/step Wall: 2900.46, 0.00295042/step, 3.30005 hours remaining, 206.773438 MB of memory in use. ENERGY: 973400 762.7803 2047.4159 1916.8880 113.2882 -206497.6727 18046.0854 0.0000 0.0000 34304.2738 -149306.9411 299.5878 -183611.2149 -149201.8663 298.6036 14.0816 48.5094 558577.4478 -13.2211 -13.0427 PRESSURE: 973600 -55.339 4.33105 34.0652 4.33227 -39.559 28.908 34.0645 28.9082 96.347 GPRESSURE: 973600 22.3789 105.608 -42.9342 -74.3128 -14.4776 45.4595 29.8289 29.8612 87.9049 PRESSAVG: 973600 62.3143 -76.6877 19.2 -76.6876 -36.2088 -20.473 19.2 -20.473 -21.7718 GPRESSAVG: 973600 63.2992 -77.0045 18.6081 -76.6784 -37.2606 -18.5725 18.3945 -20.2264 -21.7595 TIMING: 973600 CPU: 2901.05, 0.00296123/step Wall: 2901.05, 0.00296123/step, 3.31197 hours remaining, 206.773438 MB of memory in use. ENERGY: 973600 783.2963 2095.9299 1948.1262 117.9664 -206414.0188 17821.8958 0.0000 0.0000 34152.1839 -149494.6203 298.2595 -183646.8042 -149396.4242 297.7764 0.4830 31.9354 557150.8099 1.4446 1.4263 PRESSURE: 973800 -327.007 45.1285 -117.822 45.1291 -424.591 -193.18 -117.823 -193.182 8.42227 GPRESSURE: 973800 -248.254 116.544 -86.598 40.9854 -387.085 -150.202 -124.199 -155.076 -1.48876 PRESSAVG: 973800 -49.3985 3.54665 44.1858 3.54658 17.7707 13.137 44.1858 13.137 21.6203 GPRESSAVG: 973800 -51.8147 2.64065 45.4246 4.42274 18.4209 13.7176 44.4133 11.8787 23.0725 TIMING: 973800 CPU: 2901.65, 0.00296892/step Wall: 2901.65, 0.00296892/step, 3.32041 hours remaining, 206.773438 MB of memory in use. ENERGY: 973800 737.1690 2051.6402 1945.1723 117.1394 -205767.4775 17482.7022 0.0000 0.0000 33938.9932 -149494.6612 296.3977 -183433.6544 -149393.6695 298.3468 -247.7253 -212.2758 559238.3120 -3.3359 -3.4404 PRESSURE: 974000 75.3633 -59.4857 -137.863 -59.486 -22.2345 -44.2647 -137.863 -44.2642 183.86 GPRESSURE: 974000 118.64 -90.5826 -64.7049 -27.1293 -10.0561 -173.032 -96.1147 -73.0903 227.067 PRESSAVG: 974000 -13.6837 23.5835 -13.2109 23.5835 27.97 -6.46897 -13.2109 -6.469 -14.785 GPRESSAVG: 974000 -13.0359 25.1199 -13.3533 24.4106 28.3372 -8.6486 -14.4807 -6.37817 -15.9837 TIMING: 974000 CPU: 2902.24, 0.00295714/step Wall: 2902.24, 0.00295714/step, 3.30707 hours remaining, 206.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 974000 723.3818 2071.4180 1947.4255 116.4670 -206354.4887 17962.4945 0.0000 0.0000 34157.9383 -149375.3635 298.3098 -183533.3018 -149276.4844 298.1412 78.9962 111.8834 558724.5716 -0.1662 -0.2275 PRESSURE: 974200 -32.2878 -39.8955 -67.939 -39.8968 111.868 39.8483 -67.9381 39.8493 -10.6927 GPRESSURE: 974200 76.162 -8.02068 -89.0268 -89.4244 81.313 72.8441 -140.17 26.9279 2.23004 PRESSAVG: 974200 -27.8828 16.474 -46.8782 16.474 5.54556 32.4283 -46.8781 32.4283 37.2061 GPRESSAVG: 974200 -27.3802 14.684 -47.0636 14.4696 5.9939 31.4195 -45.1673 32.9133 36.1429 TIMING: 974200 CPU: 2902.83, 0.00297187/step Wall: 2902.83, 0.00297187/step, 3.32338 hours remaining, 206.773438 MB of memory in use. ENERGY: 974200 737.4847 2113.7260 1927.5316 117.7540 -206213.1811 17830.8138 0.0000 0.0000 34235.3014 -149250.5697 298.9854 -183485.8711 -149153.9713 298.3941 22.9624 53.2350 557551.9144 4.9563 4.9189 PRESSURE: 974400 138.689 198.459 72.033 198.459 256.77 -177.584 72.0321 -177.584 102.956 GPRESSURE: 974400 217.17 223.73 14.8027 150.229 249.926 -188.3 84.4208 -172.854 128.763 PRESSAVG: 974400 15.7082 -1.08942 -33.5637 -1.08938 -0.0615198 5.58126 -33.5637 5.58133 52.5664 GPRESSAVG: 974400 16.2943 -0.988414 -33.1567 1.44595 -1.45174 7.63422 -34.3149 5.02084 52.7768 TIMING: 974400 CPU: 2903.43, 0.00298162/step Wall: 2903.43, 0.00298162/step, 3.33411 hours remaining, 206.773438 MB of memory in use. ENERGY: 974400 731.6673 2111.9256 1924.5200 99.3331 -206217.9613 18013.2022 0.0000 0.0000 34214.7413 -149122.5718 298.8058 -183337.3131 -149025.0418 299.0032 166.1386 198.6198 557772.8189 22.7377 22.5398 PRESSURE: 974600 -142.21 63.5755 8.09603 63.5762 -274.244 -175.15 8.09597 -175.151 -29.8667 GPRESSURE: 974600 -140.578 46.7143 37.2122 29.4143 -208.71 -242.625 27.5338 -82.7636 13.0354 PRESSAVG: 974600 15.982 -33.2515 -33.1878 -33.2515 -36.8544 3.71957 -33.1878 3.71966 12.8299 GPRESSAVG: 974600 13.7835 -31.2909 -31.1953 -35.7516 -36.2833 3.34063 -33.3439 3.72288 14.6869 TIMING: 974600 CPU: 2904.01, 0.0029308/step Wall: 2904.01, 0.0029308/step, 3.27713 hours remaining, 206.773438 MB of memory in use. ENERGY: 974600 774.0264 2103.6905 1937.1950 109.6812 -205700.4875 17468.9569 0.0000 0.0000 34214.4652 -149092.4724 298.8034 -183306.9377 -148995.0557 299.4878 -148.7737 -112.0840 557596.0180 -2.6809 -2.6043 PRESSURE: 974800 -60.3641 -149.865 251.775 -149.865 284.929 -99.3448 251.774 -99.3439 43.5808 GPRESSURE: 974800 74.1358 -150.767 202.853 -222.741 230.635 -90.9959 296.134 -100.963 70.7293 PRESSAVG: 974800 -23.6223 -36.5165 30.3027 -36.5165 51.8122 -20.4445 30.3028 -20.4446 3.804 GPRESSAVG: 974800 -21.6529 -38.7039 27.7893 -34.517 50.5478 -19.8435 31.5202 -21.9418 3.07414 TIMING: 974800 CPU: 2904.6, 0.00295127/step Wall: 2904.6, 0.00295127/step, 3.29985 hours remaining, 206.773438 MB of memory in use. ENERGY: 974800 754.3997 2072.1363 1946.7366 109.7235 -205890.6250 17766.3962 0.0000 0.0000 34154.4960 -149086.7367 298.2797 -183241.2327 -148992.7679 299.0327 89.3818 125.1666 557910.1733 10.6646 10.6563 PRESSURE: 975000 -34.9707 21.8255 62.2722 21.8247 422.882 -15.16 62.2714 -15.1589 -48.6464 GPRESSURE: 975000 -55.8014 -37.6672 31.0388 86.0623 475.444 -157.863 122.351 55.9697 20.3757 PRESSAVG: 975000 47.0711 -21.5328 -2.69692 -21.5329 32.7292 9.06576 -2.69695 9.06587 -87.8399 GPRESSAVG: 975000 46.9856 -19.1297 -1.7702 -22.8225 33.8165 7.01728 -3.47645 11.4617 -88.1732 TIMING: 975000 CPU: 2905.2, 0.00295383/step Wall: 2905.2, 0.00295383/step, 3.30255 hours remaining, 206.773438 MB of memory in use. ENERGY: 975000 757.7866 2079.5753 1921.0644 100.9411 -206274.9736 17977.6780 0.0000 0.0000 34509.4860 -148928.4423 301.3799 -183437.9283 -148827.4846 299.5068 113.0883 146.6728 557288.9328 -2.6799 -2.4570 PRESSURE: 975200 132.136 97.2947 -61.6712 97.2945 96.2654 -1.38464 -61.6704 -1.3832 -103.194 GPRESSURE: 975200 124.4 81.9822 -86.4399 96.4043 174.421 -7.41034 -60.717 13.3466 -71.5212 PRESSAVG: 975200 -12.2183 -11.6059 -17.9075 -11.6058 84.9272 -16.3743 -17.9076 -16.3742 -34.4587 GPRESSAVG: 975200 -12.6377 -12.7281 -17.973 -11.6366 85.1533 -14.2885 -16.3961 -18.2702 -34.5079 TIMING: 975200 CPU: 2905.79, 0.00296337/step Wall: 2905.79, 0.00296337/step, 3.31305 hours remaining, 206.773438 MB of memory in use. ENERGY: 975200 743.9162 2063.8216 1924.7692 116.0963 -205983.7539 17755.6306 0.0000 0.0000 34266.8527 -149112.6673 299.2609 -183379.5200 -149023.1728 299.6868 41.7358 75.7667 557147.2408 12.7501 12.6692 PRESSURE: 975400 -166.316 -83.7852 5.44786 -83.7848 -88.7399 -32.7527 5.44788 -32.7534 184.238 GPRESSURE: 975400 -112.413 -101.472 -0.270627 -59.3266 -33.6394 21.9418 64.6258 -2.27216 174.233 PRESSAVG: 975400 -16.0725 -33.8622 -58.0214 -33.8621 -23.4524 1.97255 -58.0214 1.97269 -3.46373 GPRESSAVG: 975400 -14.9867 -34.1817 -58.423 -32.9742 -24.2429 2.98169 -58.3872 2.93552 -3.07597 TIMING: 975400 CPU: 2906.38, 0.00298373/step Wall: 2906.38, 0.00298373/step, 3.33564 hours remaining, 206.773438 MB of memory in use. ENERGY: 975400 755.7676 2067.0686 1930.9763 105.0379 -206047.6860 17867.1455 0.0000 0.0000 34154.9740 -149166.7160 298.2839 -183321.6900 -149074.5389 298.9542 -23.6058 9.3933 557727.0532 -14.3296 -14.1018 PRESSURE: 975600 221.346 31.4867 84.9917 31.486 220.734 -20.7773 84.9906 -20.7769 18.4145 GPRESSURE: 975600 224.119 -25.7682 104.724 59.9249 271.605 74.0648 52.935 -46.3199 49.6642 PRESSAVG: 975600 79.1108 -45.5308 8.42673 -45.5308 -97.4148 63.5114 8.42671 63.5114 29.5878 GPRESSAVG: 975600 78.2531 -45.2559 8.19546 -46.7381 -97.2645 61.671 7.33728 62.4213 29.8668 TIMING: 975600 CPU: 2906.98, 0.00296658/step Wall: 2906.98, 0.00296658/step, 3.31631 hours remaining, 206.773438 MB of memory in use. ENERGY: 975600 751.0451 2086.5700 1927.0721 120.0472 -206275.9780 17804.7232 0.0000 0.0000 34202.9559 -149383.5644 298.7029 -183586.5203 -149284.1090 298.5711 153.4980 181.7960 556858.4994 3.7613 3.6185 PRESSURE: 975800 -103.446 170.104 12.1908 170.104 38.3581 -32.912 12.1916 -32.912 6.22008 GPRESSURE: 975800 -60.0892 198.178 2.97847 155.526 16.4905 35.5445 1.10116 -92.9278 79.3195 PRESSAVG: 975800 34.2426 -34.7938 40.5052 -34.7937 -43.6183 -13.7024 40.5053 -13.7025 10.0478 GPRESSAVG: 975800 34.3336 -36.1875 41.2825 -34.174 -42.9656 -13.2147 39.71 -11.5394 9.47224 TIMING: 975800 CPU: 2907.57, 0.00297349/step Wall: 2907.57, 0.00297349/step, 3.32386 hours remaining, 206.773438 MB of memory in use. ENERGY: 975800 763.1160 2079.2177 1945.0286 112.0017 -206559.7966 17890.6376 0.0000 0.0000 34381.3689 -149388.4261 300.2610 -183769.7950 -149291.3936 299.0181 -19.6225 11.9070 556768.1315 0.2240 0.2801 PRESSURE: 976000 -201.038 104.776 -107.556 104.775 -100.926 -135.185 -107.556 -135.185 96.4953 GPRESSURE: 976000 -141.409 95.6618 -26.9808 75.0375 -48.9421 -31.1597 -160.219 -193.645 81.9796 PRESSAVG: 976000 5.91171 12.0842 1.35775 12.0842 -22.7744 -30.4521 1.35775 -30.4521 28.618 GPRESSAVG: 976000 6.17101 12.0566 0.518699 12.9248 -23.5371 -31.1824 1.49523 -31.6289 29.4741 TIMING: 976000 CPU: 2908.16, 0.00292455/step Wall: 2908.16, 0.00292455/step, 3.26899 hours remaining, 206.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 976000 738.5550 2089.8089 1919.3869 107.6060 -205968.8094 17550.2597 0.0000 0.0000 34214.3061 -149348.8868 298.8020 -183563.1929 -149256.5172 299.2096 -68.4896 -36.1240 556326.7632 3.9184 4.0360 PRESSURE: 976200 -239.42 -14.8383 108.523 -14.8381 -260.778 -166.506 108.523 -166.507 -136.51 GPRESSURE: 976200 -170.211 62.7074 160.427 -59.1633 -255.852 -110.472 124.987 -107.334 -122.486 PRESSAVG: 976200 43.0744 0.602885 -20.3778 0.602824 -14.9085 12.1841 -20.3777 12.1842 5.76443 GPRESSAVG: 976200 42.3351 1.75249 -20.3427 -1.79631 -14.0377 13.61 -20.6446 11.7611 6.14114 TIMING: 976200 CPU: 2908.74, 0.00292421/step Wall: 2908.74, 0.00292421/step, 3.26845 hours remaining, 206.773438 MB of memory in use. ENERGY: 976200 777.6441 2059.2914 1936.9853 110.6611 -205709.5556 17408.5306 0.0000 0.0000 34152.2442 -149264.1989 298.2600 -183416.4432 -149166.6924 299.3469 -212.2362 -182.8494 557067.9646 11.3101 11.4795 LDB: ============= START OF LOAD BALANCING ============== 2912.29 LDB: ============== END OF LOAD BALANCING =============== 2912.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2912.29 LDB: ============= START OF LOAD BALANCING ============== 2912.58 LDB: Largest compute 4773 load 0.028155 is 23.8% of average load 0.118120 LDB: Average compute 0.001736 is 1.5% of average load 0.118120 LDB: TIME 2912.59 LOAD: AVG 0.11812 MAX 0.202518 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.734 MB LDB: TIME 2912.59 LOAD: AVG 0.11812 MAX 0.202518 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.934 MB LDB: TIME 2912.59 LOAD: AVG 0.11812 MAX 0.202518 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.934 MB LDB: ============== END OF LOAD BALANCING =============== 2912.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2912.59 PRESSURE: 976400 58.584 58.8728 25.024 58.8721 -187.813 169.223 25.0236 169.224 17.9346 GPRESSURE: 976400 51.1403 125.124 21.502 46.6567 -139.103 172.348 58.8556 161.035 73.2199 PRESSAVG: 976400 -16.1425 -53.0796 9.30256 -53.0796 -27.1062 71.1472 9.30265 71.1472 11.215 GPRESSAVG: 976400 -16.1871 -53.3794 10.2364 -50.8581 -26.3998 71.2874 9.51511 70.1759 10.5299 TIMING: 976400 CPU: 2909.34, 0.0029998/step Wall: 2909.34, 0.0029998/step, 3.35277 hours remaining, 208.503906 MB of memory in use. ENERGY: 976400 733.5441 2043.8177 1956.5341 111.9632 -206052.8826 17739.2578 0.0000 0.0000 34236.4790 -149231.2867 298.9957 -183467.7657 -149131.5320 298.5195 -37.0981 -4.9143 558161.5127 -10.6779 -10.6857 PRESSURE: 976600 216.882 54.4589 88.755 54.4585 -223.916 35.1067 88.7542 35.1082 97.2966 GPRESSURE: 976600 264.722 70.7753 83.0781 75.313 -203.905 132.593 137.9 -16.7087 130.598 PRESSAVG: 976600 22.7126 -7.92139 36.5781 -7.92142 -36.9541 41.7929 36.5781 41.793 -7.8218 GPRESSAVG: 976600 23.4153 -9.33616 34.937 -8.87521 -37.5975 40.7159 35.7914 41.3633 -7.37302 TIMING: 976600 CPU: 2909.93, 0.00296018/step Wall: 2909.93, 0.00296018/step, 3.30833 hours remaining, 208.574219 MB of memory in use. ENERGY: 976600 743.3916 2079.4354 1925.7185 101.5738 -206364.5706 17911.2902 0.0000 0.0000 34105.9861 -149497.1750 297.8561 -183603.1610 -149406.4621 298.9511 30.0875 63.8052 556773.5775 -7.3544 -7.1850 PRESSURE: 976800 99.3114 -15.0005 -119.89 -15.0015 -184.631 -207.115 -119.889 -207.114 75.8403 GPRESSURE: 976800 150.671 -46.2776 -220.515 47.1824 -80.024 -229.974 -124.221 -207.525 21.4011 PRESSAVG: 976800 12.5281 6.20366 24.7518 6.20358 -62.3771 -14.0551 24.7518 -14.0553 29.9427 GPRESSAVG: 976800 13.6521 6.27041 25.6839 6.33966 -63.3917 -13.7261 26.0872 -11.4413 29.0261 TIMING: 976800 CPU: 2910.53, 0.00296339/step Wall: 2910.53, 0.00296339/step, 3.31175 hours remaining, 208.574219 MB of memory in use. ENERGY: 976800 776.4824 2137.3765 1924.2875 108.9406 -206696.6395 17966.8986 0.0000 0.0000 34166.7761 -149615.8779 298.3870 -183782.6540 -149516.5183 298.4152 -3.1597 30.6828 556211.1029 -6.6354 -6.9045 PRESSURE: 977000 -138.251 35.4174 -4.07008 35.4173 -111.69 -372.704 -4.07001 -372.703 -121.071 GPRESSURE: 977000 -132.777 63.7576 33.7563 79.1508 -69.2085 -333.966 -57.0261 -296.421 -77.3577 PRESSAVG: 977000 49.2356 28.0621 -55.4157 28.0622 47.9044 -1.82964 -55.4158 -1.82957 -18.8631 GPRESSAVG: 977000 46.7327 28.277 -57.2183 28.1096 48.9038 -1.09255 -54.0985 -3.95527 -18.2023 TIMING: 977000 CPU: 2911.12, 0.00294838/step Wall: 2911.12, 0.00294838/step, 3.29481 hours remaining, 208.574219 MB of memory in use. ENERGY: 977000 752.9290 2119.1967 1912.0987 121.4000 -206023.1142 17514.7576 0.0000 0.0000 34055.4643 -149547.2680 297.4148 -183602.7323 -149447.1392 297.8168 -123.6709 -93.1143 555938.3957 26.0923 25.8114 PRESSURE: 977200 161.531 -44.8161 67.1979 -44.8166 174.809 -62.8509 67.1978 -62.8519 -126.605 GPRESSURE: 977200 224.742 -20.1422 38.0128 -56.1854 164.156 66.0443 130.023 -129.338 -90.3831 PRESSAVG: 977200 30.5018 -38.2326 -25.9462 -38.2325 -32.7524 21.547 -25.9463 21.547 14.2531 GPRESSAVG: 977200 31.0424 -36.7314 -24.4517 -39.6416 -33.4576 21.4245 -25.8109 22.6325 14.4171 TIMING: 977200 CPU: 2911.71, 0.00297181/step Wall: 2911.71, 0.00297181/step, 3.32083 hours remaining, 208.574219 MB of memory in use. ENERGY: 977200 728.8977 2078.0267 1914.5719 118.3782 -206225.6051 17762.4962 0.0000 0.0000 34229.3436 -149393.8909 298.9334 -183623.2345 -149297.1774 298.0058 69.9114 99.5053 555295.3001 4.0008 4.0006 PRESSURE: 977400 178.491 -22.5636 145.218 -22.5631 63.2361 -95.1511 145.219 -95.15 -103.634 GPRESSURE: 977400 201.897 -81.1691 79.8296 -9.43963 112.831 -128.055 186.711 -90.2668 -70.9206 PRESSAVG: 977400 -19.5502 27.694 -34.9884 27.694 12.4907 4.70647 -34.9886 4.70656 10.6716 GPRESSAVG: 977400 -18.2605 27.6489 -35.3447 28.9611 11.6321 4.12763 -35.4626 5.70259 9.99251 TIMING: 977400 CPU: 2912.31, 0.00298726/step Wall: 2912.31, 0.00298726/step, 3.33793 hours remaining, 208.574219 MB of memory in use. ENERGY: 977400 708.0816 2141.3322 1961.0594 110.0959 -206572.4556 17962.9285 0.0000 0.0000 34198.6325 -149490.3254 298.6652 -183688.9580 -149392.6193 298.3416 46.0311 81.2690 555878.5593 1.2040 1.1214 PRESSURE: 977600 -195.971 -42.4359 119.515 -42.4358 141.673 -75.1898 119.516 -75.1912 136.104 GPRESSURE: 977600 -101.805 63.2485 66.6109 -89.5583 160.54 -55.0292 -0.866293 -40.7176 119.527 PRESSAVG: 977600 9.91068 -19.464 45.4305 -19.4639 35.3898 -54.3164 45.4304 -54.3165 -13.58 GPRESSAVG: 977600 8.47606 -19.2351 45.0112 -18.4065 36.968 -55.3105 44.9642 -54.5416 -13.91 TIMING: 977600 CPU: 2912.9, 0.0029683/step Wall: 2912.9, 0.0029683/step, 3.31658 hours remaining, 208.574219 MB of memory in use. ENERGY: 977600 738.4359 2058.2298 1959.5578 106.9461 -206715.3907 17931.0211 0.0000 0.0000 34390.0253 -149531.1746 300.3366 -183921.1999 -149437.0941 298.3377 27.2688 59.4207 555876.1621 10.5735 10.5113 PRESSURE: 977800 -86.9227 180.234 63.4737 180.235 -282.939 -8.7116 63.4723 -8.71274 -390.011 GPRESSURE: 977800 -148.503 94.8986 124.099 283.109 -216.258 33.5432 -3.49905 -94.992 -297.004 PRESSAVG: 977800 -11.942 44.543 -18.9788 44.5431 45.9476 -33.5357 -18.9788 -33.5355 -11.1678 GPRESSAVG: 977800 -12.2226 44.7739 -18.1698 40.3867 45.7769 -32.8422 -16.1297 -34.6236 -10.3196 TIMING: 977800 CPU: 2913.49, 0.00294614/step Wall: 2913.49, 0.00294614/step, 3.29166 hours remaining, 208.574219 MB of memory in use. ENERGY: 977800 728.4537 2131.5128 1926.8755 105.0129 -205837.8530 17362.4792 0.0000 0.0000 33954.2037 -149629.3152 296.5305 -183583.5189 -149531.7964 298.6962 -253.2911 -220.5884 557261.9898 7.6126 7.7449 PRESSURE: 978000 -33.7356 -69.5583 -62.5282 -69.5593 -244.249 -110.216 -62.5266 -110.213 16.9974 GPRESSURE: 978000 -10.685 -58.8681 -140.653 -123.32 -234.252 -147.753 -91.7234 -163.797 77.9457 PRESSAVG: 978000 -11.4711 28.5087 27.7821 28.5087 46.1901 -11.8372 27.7821 -11.8372 -69.3442 GPRESSAVG: 978000 -11.2928 26.9957 28.3905 30.8222 45.521 -9.81502 24.513 -12.3529 -68.8523 TIMING: 978000 CPU: 2914.08, 0.00293231/step Wall: 2914.08, 0.00293231/step, 3.27604 hours remaining, 208.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 978000 750.7399 2094.1472 1909.6778 110.0065 -206376.3528 17651.5984 0.0000 0.0000 34103.7833 -149756.3997 297.8368 -183860.1830 -149658.8340 297.7076 -86.9957 -55.6637 556661.5644 -11.5417 -11.5414 PRESSURE: 978200 289.832 110.989 121.841 110.99 19.537 -205.188 121.84 -205.188 37.576 GPRESSURE: 978200 304.43 59.0505 21.8593 124.784 55.8583 -196.773 100.374 -164.442 86.1894 PRESSAVG: 978200 71.1004 15.1889 -50.4732 15.189 47.754 -28.7619 -50.4732 -28.7619 -105.413 GPRESSAVG: 978200 71.3226 15.0101 -50.4735 17.3538 48.511 -31.2519 -49.4449 -27.4403 -106.478 TIMING: 978200 CPU: 2914.67, 0.00296555/step Wall: 2914.67, 0.00296555/step, 3.31301 hours remaining, 208.574219 MB of memory in use. ENERGY: 978200 750.4768 2137.1783 1917.0482 102.0503 -206632.3161 17948.7331 0.0000 0.0000 34122.5748 -149654.2545 298.0009 -183776.8293 -149564.8220 297.7635 115.6484 148.8260 555004.0706 4.4805 4.4519 PRESSURE: 978400 -49.8786 169.911 75.954 169.911 -411.255 214.877 75.9547 214.875 146.411 GPRESSURE: 978400 -59.3764 159.813 92.8575 162.97 -336.276 118.321 49.6505 200.491 188.342 PRESSAVG: 978400 47.9476 21.2286 -43.6719 21.2287 58.8347 -14.0853 -43.6719 -14.0854 -47.0376 GPRESSAVG: 978400 47.3308 22.3354 -45.6592 19.5012 59.6589 -14.4193 -43.0793 -13.9402 -47.1743 TIMING: 978400 CPU: 2915.27, 0.00298255/step Wall: 2915.27, 0.00298255/step, 3.33184 hours remaining, 208.574219 MB of memory in use. ENERGY: 978400 715.6557 2165.4987 1919.9762 112.1937 -206228.7582 17615.7598 0.0000 0.0000 34211.0455 -149488.6285 298.7736 -183699.6741 -149389.0623 298.7669 -104.9075 -69.1033 556864.4709 19.9149 19.9384 PRESSURE: 978600 199.992 -116.003 0.0904305 -116.003 -48.8244 11.9712 0.0898818 11.9705 87.0009 GPRESSURE: 978600 235.049 -104.758 -24.3257 -84.9387 -14.9468 38.9514 -29.1215 38.2043 112.98 PRESSAVG: 978600 -26.9854 20.4511 -40.4423 20.4512 81.0333 25.9609 -40.4423 25.9609 -31.5802 GPRESSAVG: 978600 -25.9487 20.735 -38.3617 20.6556 79.1998 27.5019 -41.3704 24.6526 -30.8524 TIMING: 978600 CPU: 2915.86, 0.00297751/step Wall: 2915.86, 0.00297751/step, 3.32605 hours remaining, 208.574219 MB of memory in use. ENERGY: 978600 727.3610 2141.7571 1923.0880 114.1568 -206397.3452 17811.4555 0.0000 0.0000 34381.1462 -149298.3807 300.2591 -183679.5269 -149203.9450 299.2996 79.3896 111.0274 555427.5306 7.4892 7.4663 PRESSURE: 978800 125.897 -24.2485 51.343 -24.2481 -338.588 87.3246 51.3433 87.3262 -131.085 GPRESSURE: 978800 135.999 -8.43268 90.7303 -54.1588 -322.582 40.4256 72.6268 137.318 -59.0481 PRESSAVG: 978800 48.3594 70.3908 22.4771 70.3909 -48.0939 -4.9202 22.4772 -4.92026 -4.41539 GPRESSAVG: 978800 47.9458 69.5171 22.3666 70.6019 -48.2453 -4.26419 20.0553 -5.4753 -3.65015 TIMING: 978800 CPU: 2916.45, 0.00294876/step Wall: 2916.45, 0.00294876/step, 3.29376 hours remaining, 208.574219 MB of memory in use. ENERGY: 978800 703.4943 2087.1707 1916.8516 106.2233 -206097.0707 17554.8442 0.0000 0.0000 34371.1673 -149357.3193 300.1720 -183728.4866 -149263.0794 299.3896 -114.5920 -81.8771 556017.1123 -1.3833 -1.3166 PRESSURE: 979000 54.4934 -15.8895 68.8157 -15.8898 -33.0436 57.3703 68.8162 57.3716 138.754 GPRESSURE: 979000 109.796 -86.5237 22.6223 -29.6327 42.0832 49.0568 86.1819 102.01 99.2009 PRESSAVG: 979000 51.2528 18.6548 -1.32977 18.6549 -26.8585 -48.7964 -1.32981 -48.7965 -8.85427 GPRESSAVG: 979000 51.1862 19.1685 -3.90983 17.8906 -24.7544 -50.3993 2.17656 -47.6124 -11.2715 TIMING: 979000 CPU: 2917.05, 0.00296939/step Wall: 2917.05, 0.00296939/step, 3.31664 hours remaining, 208.574219 MB of memory in use. ENERGY: 979000 758.8545 2058.8211 1942.0356 109.1924 -206454.5404 17859.8689 0.0000 0.0000 34321.2520 -149404.5158 299.7360 -183725.7678 -149310.5015 299.3894 53.4014 83.6935 555008.5025 5.1800 5.0534 PRESSURE: 979200 -171.841 115.928 61.4945 115.927 -10.7516 139.03 61.4945 139.028 -196.013 GPRESSURE: 979200 -213.355 97.3245 -2.83893 92.3283 -4.09629 184.457 -12.1865 92.4367 -76.3131 PRESSAVG: 979200 5.27129 48.9187 20.5636 48.9186 -16.6436 -1.46764 20.5636 -1.46775 23.5991 GPRESSAVG: 979200 4.80951 49.3864 21.0642 50.3261 -17.5138 0.28731 18.4091 -1.83078 25.2485 TIMING: 979200 CPU: 2917.64, 0.00297366/step Wall: 2917.64, 0.00297366/step, 3.32125 hours remaining, 208.574219 MB of memory in use. ENERGY: 979200 741.9520 2029.3803 1929.5786 118.5501 -205827.5327 17333.1672 0.0000 0.0000 34358.6989 -149316.2055 300.0631 -183674.9044 -149213.0468 299.8345 -126.2019 -97.9213 555520.6883 4.0756 4.1814 PRESSURE: 979400 -111.859 -28.2836 98.9018 -28.2846 -521.361 -30.7131 98.9004 -30.7149 -240.479 GPRESSURE: 979400 -91.8294 -40.5092 183.34 41.2393 -449.828 9.57589 39.304 -25.3454 -235.906 PRESSAVG: 979400 14.2293 -31.6059 2.79931 -31.6058 -18.8126 16.6035 2.79929 16.6036 19.0695 GPRESSAVG: 979400 15.5201 -31.9345 5.67703 -31.3573 -19.2467 14.9862 4.12484 16.8179 18.293 TIMING: 979400 CPU: 2918.24, 0.00300357/step Wall: 2918.24, 0.00300357/step, 3.35449 hours remaining, 208.574219 MB of memory in use. ENERGY: 979400 753.4929 2069.8478 1925.3631 111.3799 -206161.9816 17374.2109 0.0000 0.0000 34375.4299 -149552.2570 300.2092 -183927.6869 -149450.3233 299.3593 -291.2330 -259.1877 556385.4702 4.8287 4.8554 PRESSURE: 979600 6.18593 47.8426 -80.6678 47.8428 142.905 111.473 -80.6679 111.473 67.964 GPRESSURE: 979600 60.4013 177.151 -14.9169 20.7713 180.528 209.565 -77.7228 68.7131 94.6995 PRESSAVG: 979600 6.33327 -51.8695 1.15885 -51.8696 16.0359 12.8067 1.15885 12.8066 1.90804 GPRESSAVG: 979600 4.86592 -50.5449 -0.251012 -53.3412 16.4098 15.0053 0.0745423 11.7507 3.07942 TIMING: 979600 CPU: 2918.84, 0.00296782/step Wall: 2918.84, 0.00296782/step, 3.31439 hours remaining, 208.574219 MB of memory in use. ENERGY: 979600 765.2513 2019.0406 1926.7148 110.5116 -206493.9267 17983.0733 0.0000 0.0000 34259.3834 -149429.9517 299.1957 -183689.3351 -149327.9486 298.4889 72.3515 111.8762 556583.0794 8.0924 8.1184 PRESSURE: 979800 19.1023 -132.79 -48.4539 -132.791 -71.0813 129.531 -48.4545 129.53 -237.616 GPRESSURE: 979800 83.2517 -55.6977 40.2481 -176.99 -57.1174 53.6551 -96.7378 109.972 -222.611 PRESSAVG: 979800 -43.4771 -7.52045 -62.1918 -7.52046 48.7055 -20.2488 -62.1917 -20.2487 -15.3304 GPRESSAVG: 979800 -43.3191 -11.4515 -61.1881 -6.32034 48.443 -20.3959 -61.9447 -20.0297 -15.1746 TIMING: 979800 CPU: 2919.43, 0.00296543/step Wall: 2919.43, 0.00296543/step, 3.31156 hours remaining, 208.574219 MB of memory in use. ENERGY: 979800 776.7048 2041.2683 1976.5380 113.6811 -206389.1314 17735.2103 0.0000 0.0000 34124.6374 -149621.0915 298.0189 -183745.7289 -149524.9579 298.4900 -96.5316 -65.4922 556164.3968 -3.3673 -3.3502 PRESSURE: 980000 -2.88449 -33.6431 0.474295 -33.6426 24.7555 93.4825 0.473848 93.4837 -53.9004 GPRESSURE: 980000 71.9822 -16.0045 -47.5432 78.6671 49.0465 114.523 9.08166 69.918 -54.7581 PRESSAVG: 980000 8.81487 -31.8473 -41.126 -31.8473 -7.37836 5.16791 -41.1261 5.16784 0.573189 GPRESSAVG: 980000 8.14751 -31.2064 -40.6907 -31.0898 -6.67195 4.94138 -40.8783 6.48092 0.435549 TIMING: 980000 CPU: 2920.02, 0.00297463/step Wall: 2920.02, 0.00297463/step, 3.32167 hours remaining, 208.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 980000 778.1763 2079.2916 1917.8872 102.7851 -206343.4049 17785.8075 0.0000 0.0000 34085.8774 -149593.5798 297.6804 -183679.4572 -149490.5168 298.3671 -10.6765 22.0902 555417.3103 0.6699 0.6370 PRESSURE: 980200 -3.47206 220.913 -33.4178 220.912 150.889 -62.9333 -33.4191 -62.9313 60.6886 GPRESSURE: 980200 55.0227 215.511 53.2045 121.626 177.606 0.572195 -48.5341 -121.829 87.9886 PRESSAVG: 980200 -14.5989 -26.4428 66.3828 -26.4429 -17.3979 -18.52 66.3828 -18.5201 5.367 GPRESSAVG: 980200 -12.6896 -25.2041 66.4386 -27.9606 -18.0785 -19.3458 65.3427 -22.2007 4.09523 TIMING: 980200 CPU: 2920.62, 0.0029987/step Wall: 2920.62, 0.0029987/step, 3.34838 hours remaining, 208.574219 MB of memory in use. ENERGY: 980200 762.7527 2045.8373 1950.8609 111.0132 -206865.6651 18025.8118 0.0000 0.0000 34306.9448 -149662.4445 299.6111 -183969.3893 -149563.3252 298.2555 69.3687 106.8725 555084.4912 -8.8766 -8.8910 LDB: ============= START OF LOAD BALANCING ============== 2924.18 LDB: ============== END OF LOAD BALANCING =============== 2924.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2924.18 LDB: ============= START OF LOAD BALANCING ============== 2924.48 LDB: Largest compute 4773 load 0.030020 is 25.4% of average load 0.118204 LDB: Average compute 0.001733 is 1.5% of average load 0.118204 LDB: TIME 2924.48 LOAD: AVG 0.118204 MAX 0.208511 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 2924.48 LOAD: AVG 0.118204 MAX 0.208511 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.285 MB LDB: TIME 2924.48 LOAD: AVG 0.118204 MAX 0.208511 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.285 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2924.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2924.49 PRESSURE: 980400 170.191 -152.775 128.613 -152.775 -24.6947 -70.442 128.613 -70.4404 -35.0138 GPRESSURE: 980400 167.653 -193.694 122.644 -160.274 64.3374 -129.258 178.443 -59.13 -19.5898 PRESSAVG: 980400 44.5775 3.57743 52.3848 3.57745 -64.4232 -51.0026 52.3848 -51.0025 -19.9564 GPRESSAVG: 980400 44.3765 4.9982 52.0346 1.92606 -63.644 -51.4383 52.0432 -48.0128 -20.2587 TIMING: 980400 CPU: 2921.24, 0.00305964/step Wall: 2921.24, 0.00305963/step, 3.41625 hours remaining, 207.222656 MB of memory in use. ENERGY: 980400 762.9154 2136.9887 1965.8583 121.4223 -206436.1981 17909.6999 0.0000 0.0000 33921.3031 -149618.0103 296.2432 -183539.3134 -149517.0650 298.8305 36.8276 70.8002 556160.4229 -13.2674 -13.1754 PRESSURE: 980600 -172.11 -156.188 147.204 -156.187 150.281 52.2238 147.205 52.2227 -177.673 GPRESSURE: 980600 -145.446 -157.647 151.548 -191.838 155.408 80.9184 130.574 11.4631 -117.59 PRESSAVG: 980600 -28.5932 -6.05403 46.8268 -6.05411 0.0295393 11.8173 46.8268 11.8173 10.0138 GPRESSAVG: 980600 -29.0629 -6.05716 46.9495 -5.69446 -0.681334 13.3153 47.327 10.4641 11.1655 TIMING: 980600 CPU: 2921.83, 0.00298738/step Wall: 2921.83, 0.00298738/step, 3.33541 hours remaining, 207.222656 MB of memory in use. ENERGY: 980600 751.6091 2061.9252 1957.6337 103.9909 -206574.1084 17873.9949 0.0000 0.0000 34122.1869 -149702.7677 297.9975 -183824.9547 -149609.2707 298.1289 -66.5007 -35.8758 557119.9905 -6.1833 -6.1929 PRESSURE: 980800 -201.301 98.979 72.9023 98.9786 -132.08 -57.1909 72.9018 -57.1914 -247.621 GPRESSURE: 980800 -136.735 1.65238 17.5409 50.7754 -123.218 -107.756 24.1766 -124.17 -226.843 PRESSAVG: 980800 28.3397 -70.1744 34.4495 -70.1744 11.2159 -26.2924 34.4495 -26.2923 -17.109 GPRESSAVG: 980800 28.1654 -71.1942 33.6677 -68.8621 10.659 -27.01 35.1695 -27.1752 -16.8338 TIMING: 980800 CPU: 2922.43, 0.00300702/step Wall: 2922.43, 0.00300702/step, 3.35717 hours remaining, 207.222656 MB of memory in use. ENERGY: 980800 718.4212 2114.0627 1932.2813 106.1665 -206341.3481 17660.7696 0.0000 0.0000 34041.9712 -149767.6755 297.2970 -183809.6468 -149665.2348 297.5614 -193.6673 -162.2651 557584.5816 7.4822 7.3302 PRESSURE: 981000 -22.9175 148.09 -165.568 148.088 24.7463 109.453 -165.568 109.454 -99.7723 GPRESSURE: 981000 40.9888 199.701 -199.434 86.1566 86.7 112.816 -239.035 136.994 -129.988 PRESSAVG: 981000 30.1692 -82.0341 -2.79928 -82.0341 -27.9851 -22.0093 -2.79929 -22.0092 0.738525 GPRESSAVG: 981000 29.7979 -82.6933 -2.4315 -81.6261 -27.1644 -23.1635 -3.13847 -18.4934 -0.373545 TIMING: 981000 CPU: 2923.04, 0.00300463/step Wall: 2923.04, 0.00300463/step, 3.35433 hours remaining, 207.222656 MB of memory in use. ENERGY: 981000 758.5101 2109.4501 1938.0556 112.1352 -206654.7159 17895.5418 0.0000 0.0000 34033.7591 -149807.2639 297.2253 -183841.0230 -149716.2330 297.3896 -32.6478 -0.7664 556645.0398 0.9742 0.7533 PRESSURE: 981200 -170.511 63.0653 105.113 63.0657 174.858 -50.279 105.114 -50.2786 22.357 GPRESSURE: 981200 -151.864 132.629 82.0701 -35.2111 227.325 -2.89264 102.972 -128.932 41.1093 PRESSAVG: 981200 -5.76069 12.6098 19.2153 12.6099 52.818 29.6634 19.2153 29.6634 33.2213 GPRESSAVG: 981200 -6.07397 12.2899 19.6419 11.5712 53.7282 28.3548 18.5535 30.4596 32.4916 TIMING: 981200 CPU: 2923.63, 0.00298721/step Wall: 2923.63, 0.00298721/step, 3.33472 hours remaining, 207.222656 MB of memory in use. ENERGY: 981200 721.7111 2155.5336 1954.5901 124.3749 -206604.8238 17761.5436 0.0000 0.0000 34191.3745 -149695.6959 298.6018 -183887.0704 -149592.7585 298.1319 8.9015 38.8568 556002.0662 26.7596 26.7153 PRESSURE: 981400 157.722 42.7744 44.353 42.7747 -169.893 26.3602 44.3518 26.3592 59.2137 GPRESSURE: 981400 191.664 59.2206 25.303 52.5325 -171.793 75.6387 63.7203 62.5978 103.232 PRESSAVG: 981400 53.7532 39.2606 43.3343 39.2605 26.8525 -12.8334 43.3343 -12.8334 -64.064 GPRESSAVG: 981400 54.5055 38.9493 45.4186 41.6342 26.1497 -9.57561 42.3832 -15.8284 -64.2448 TIMING: 981400 CPU: 2924.23, 0.00299771/step Wall: 2924.23, 0.00299771/step, 3.34628 hours remaining, 207.222656 MB of memory in use. ENERGY: 981400 761.6485 2157.0264 1946.0173 117.4764 -206742.4490 17841.9129 0.0000 0.0000 34352.5000 -149565.8675 300.0089 -183918.3675 -149465.1274 298.8819 15.6810 41.0339 556367.2125 5.5139 5.4701 PRESSURE: 981600 111.202 119.736 28.4503 119.737 64.7007 -24.3661 28.4497 -24.3645 -120.705 GPRESSURE: 981600 128.312 87.892 6.80353 115.294 111.512 -36.9586 -13.0414 -104.69 -82.8393 PRESSAVG: 981600 -32.0461 13.5379 44.3137 13.5379 40.6638 -5.34253 44.3137 -5.34246 -39.4557 GPRESSAVG: 981600 -31.725 13.5996 43.6291 12.7335 39.9567 -6.72491 47.2422 -4.9192 -38.7501 TIMING: 981600 CPU: 2924.83, 0.00297894/step Wall: 2924.83, 0.00297894/step, 3.32516 hours remaining, 207.222656 MB of memory in use. ENERGY: 981600 763.4824 2150.7801 1955.4668 106.6982 -206595.2843 17874.3843 0.0000 0.0000 34172.0692 -149572.4033 298.4332 -183744.4725 -149472.1558 298.8091 18.3991 52.3281 555859.1459 -10.2793 -10.1728 PRESSURE: 981800 21.6654 -21.4467 53.2693 -21.4463 -177.664 -25.9955 53.2689 -25.9962 -231.177 GPRESSURE: 981800 22.4956 -6.12201 118.056 78.8186 -109.778 15.1733 24.9348 -42.4725 -198.308 PRESSAVG: 981800 -13.372 -40.7778 -0.213542 -40.7779 45.3751 -2.30458 -0.21358 -2.30443 -2.30309 GPRESSAVG: 981800 -14.4841 -41.8728 -1.9368 -39.0739 46.9465 -1.45238 -1.16213 -1.07007 -2.77127 TIMING: 981800 CPU: 2925.42, 0.00296048/step Wall: 2925.42, 0.00296048/step, 3.30438 hours remaining, 207.222656 MB of memory in use. ENERGY: 981800 749.0200 2056.7374 1922.6262 103.0936 -206239.8183 17694.8126 0.0000 0.0000 34253.8174 -149459.7111 299.1471 -183713.5285 -149355.6095 298.4133 -129.0585 -95.1969 558763.6895 9.9000 9.8970 PRESSURE: 982000 -43.3842 -89.402 -11.3502 -89.4025 -195.74 -17.9731 -11.3502 -17.9728 -296.567 GPRESSURE: 982000 -49.0877 0.700313 85.7564 -161.95 -136.473 -116.91 -31.8739 42.8045 -243.562 PRESSAVG: 982000 13.3162 -26.1201 3.5476 -26.1201 0.490862 -7.31398 3.5476 -7.31397 -28.6468 GPRESSAVG: 982000 14.566 -23.4561 3.35365 -28.1247 -0.83441 -6.2487 5.14504 -9.20393 -28.3779 TIMING: 982000 CPU: 2926.01, 0.00295831/step Wall: 2926.01, 0.00295831/step, 3.3018 hours remaining, 207.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 982000 741.8737 2109.6997 1949.2172 116.1577 -205981.2403 17636.9561 0.0000 0.0000 34090.7109 -149336.6250 297.7227 -183427.3359 -149242.8051 298.9997 -178.5637 -143.0407 556975.2919 -4.9466 -4.8821 PRESSURE: 982200 21.9188 90.5767 81.9406 90.576 -36.1467 57.3273 81.9393 57.3284 -214.742 GPRESSURE: 982200 81.7182 18.048 93.8912 162.943 -26.983 143.892 52.0251 35.9933 -195.676 PRESSAVG: 982200 30.9122 16.6244 22.3421 16.6244 3.11491 0.0325694 22.342 0.0327387 -59.3329 GPRESSAVG: 982200 31.2573 15.7634 22.5343 19.5445 3.26649 0.103456 21.4962 -1.02264 -60.0639 TIMING: 982200 CPU: 2926.6, 0.00296588/step Wall: 2926.6, 0.00296588/step, 3.31008 hours remaining, 207.222656 MB of memory in use. ENERGY: 982200 745.3089 2047.1269 1956.9124 117.0945 -206215.5690 17712.3276 0.0000 0.0000 34304.5442 -149332.2544 299.5901 -183636.7986 -149229.8373 298.3042 -76.3234 -46.9804 557710.4731 -8.4352 -8.5134 PRESSURE: 982400 -139.172 16.0556 -67.3938 16.0546 -97.279 147.561 -67.3943 147.563 7.54519 GPRESSURE: 982400 -50.5677 -15.4752 -78.5128 33.283 -99.7632 85.5114 -46.2015 243.277 30.5639 PRESSAVG: 982400 9.08018 43.9847 62.4079 43.9846 37.833 35.0581 62.4078 35.0582 -10.3502 GPRESSAVG: 982400 9.07656 41.7676 63.5717 41.5705 36.5629 34.1319 62.7253 35.6838 -8.75176 TIMING: 982400 CPU: 2927.2, 0.0029712/step Wall: 2927.2, 0.0029712/step, 3.31586 hours remaining, 207.222656 MB of memory in use. ENERGY: 982400 759.0130 2089.5199 1919.1862 106.4558 -206047.2968 17771.9106 0.0000 0.0000 34239.5089 -149161.7023 299.0221 -183401.2113 -149070.2050 299.1857 -76.3020 -39.9224 558918.9375 12.1877 12.2959 PRESSURE: 982600 -112.335 -7.48513 3.10065 -7.48535 47.285 66.2872 3.10055 66.2869 -25.1992 GPRESSURE: 982600 -26.4251 -32.7325 -82.2968 -60.1256 91.3686 12.6372 60.1013 81.8939 -60.9084 PRESSAVG: 982600 -35.1021 14.5355 -45.5948 14.5355 -16.2462 36.589 -45.5948 36.589 38.9062 GPRESSAVG: 982600 -35.0236 16.1019 -44.7744 13.355 -15.0802 35.261 -46.0116 38.0854 37.4935 TIMING: 982600 CPU: 2927.79, 0.00296738/step Wall: 2927.79, 0.00296738/step, 3.31143 hours remaining, 207.222656 MB of memory in use. ENERGY: 982600 724.7224 2084.0963 1963.1727 119.8351 -205934.8488 17797.6827 0.0000 0.0000 34033.4531 -149211.8865 297.2226 -183245.3396 -149112.5470 298.8093 -30.0829 1.3451 557764.5313 -4.1474 -4.2035 PRESSURE: 982800 19.7644 -218.812 51.7463 -218.811 -29.0311 67.0814 51.7474 67.0837 87.4828 GPRESSURE: 982800 80.4214 -223.343 78.0394 -168.378 -9.48881 46.0552 86.174 72.7298 125.292 PRESSAVG: 982800 35.8632 -19.7066 9.37608 -19.7066 38.4394 29.5606 9.37599 29.5605 -50.4516 GPRESSAVG: 982800 34.7402 -22.3699 8.58461 -18.8059 39.5473 28.9678 8.57874 30.7061 -50.0875 TIMING: 982800 CPU: 2928.39, 0.00298064/step Wall: 2928.39, 0.00298064/step, 3.32606 hours remaining, 207.222656 MB of memory in use. ENERGY: 982800 727.3444 2059.9321 1933.1332 109.0877 -206330.4892 17758.5205 0.0000 0.0000 34425.0163 -149317.4550 300.6422 -183742.4713 -149220.7837 299.0569 26.0721 65.4083 556615.8372 7.9503 8.0667 PRESSURE: 983000 -143.672 -135.032 -76.8314 -135.032 222.638 -80.3255 -76.8295 -80.3248 -265.269 GPRESSURE: 983000 -56.9324 -130.914 18.0601 -93.8505 234.681 -55.0065 -72.4243 -60.3953 -260.817 PRESSAVG: 983000 61.564 -63.8747 23.8329 -63.8747 49.2723 44.2087 23.8329 44.2087 -67.3096 GPRESSAVG: 983000 63.1279 -60.203 23.2386 -65.4311 47.4499 44.7414 25.9369 43.4199 -67.033 TIMING: 983000 CPU: 2928.98, 0.00295117/step Wall: 2928.98, 0.00295117/step, 3.29301 hours remaining, 207.222656 MB of memory in use. ENERGY: 983000 722.3806 2084.0021 1933.4496 103.0871 -206275.9253 17776.4140 0.0000 0.0000 34338.4731 -149318.1189 299.8864 -183656.5920 -149214.6165 299.1493 -62.1009 -27.6895 556167.0862 14.5089 14.5149 PRESSURE: 983200 -67.4136 -7.04297 -52.305 -7.04147 -170.567 45.818 -52.3038 45.8182 117.009 GPRESSURE: 983200 -61.7326 64.3239 -80.0197 34.9803 -66.7993 23.7849 -57.2908 59.7325 112.689 PRESSAVG: 983200 -25.5538 10.2595 1.2371 10.2596 37.3701 6.08801 1.23709 6.08802 -15.2385 GPRESSAVG: 983200 -26.2053 9.40842 0.128002 11.183 38.3296 6.70856 0.187975 7.2749 -15.417 TIMING: 983200 CPU: 2929.57, 0.00297474/step Wall: 2929.57, 0.00297474/step, 3.31915 hours remaining, 207.222656 MB of memory in use. ENERGY: 983200 727.3662 2076.2270 1948.7332 112.9757 -205935.6391 17624.5529 0.0000 0.0000 34162.3076 -149283.4766 298.3479 -183445.7842 -149190.6973 299.1976 -40.3242 -5.2810 557158.3401 -1.1407 -1.0976 PRESSURE: 983400 34.3601 -224.923 337.091 -224.924 -80.7603 40.0679 337.09 40.0679 -18.6279 GPRESSURE: 983400 87.9797 -145.333 351.438 -172.652 -72.4414 93.272 319.048 44.5801 20.3941 PRESSAVG: 983400 -74.5977 -12.6851 50.4105 -12.6851 14.6243 63.3499 50.4105 63.3498 65.0225 GPRESSAVG: 983400 -74.7048 -12.9826 50.5499 -11.911 15.0197 63.5904 51.7486 60.7617 65.0001 TIMING: 983400 CPU: 2930.17, 0.00298193/step Wall: 2930.17, 0.00298193/step, 3.32701 hours remaining, 207.222656 MB of memory in use. ENERGY: 983400 717.6574 2120.4313 1934.7538 119.3658 -206205.1889 17881.2600 0.0000 0.0000 34154.2008 -149277.5198 298.2771 -183431.7206 -149188.0022 298.7140 -21.6761 11.9775 558139.5085 1.6830 1.7717 PRESSURE: 983600 -102.078 -136.244 -44.4644 -136.244 -351.176 7.06158 -44.4637 7.06117 -16.0973 GPRESSURE: 983600 -30.3471 -107.096 -104.608 -85.839 -344.648 -26.1759 25.8857 97.4789 9.81918 PRESSAVG: 983600 27.0526 18.9642 61.3256 18.9642 -35.3398 -6.89569 61.3255 -6.89572 71.1839 GPRESSAVG: 983600 28.0311 18.9462 61.8522 18.3971 -36.8159 -6.44533 62.4785 -4.68316 71.5977 TIMING: 983600 CPU: 2930.77, 0.00299273/step Wall: 2930.77, 0.00299273/step, 3.33889 hours remaining, 207.222656 MB of memory in use. ENERGY: 983600 777.0939 2032.8757 1957.3817 95.4685 -206055.0818 17698.2628 0.0000 0.0000 34202.5086 -149291.4907 298.6990 -183493.9993 -149191.0962 299.4070 -156.4504 -121.7255 558456.6548 20.9656 20.9376 PRESSURE: 983800 -82.5101 -78.1861 35.7696 -78.1859 -119.99 12.4267 35.7687 12.4256 -201.465 GPRESSURE: 983800 20.9865 31.9016 12.6 -149.366 -159.926 70.2649 75.2123 -25.0834 -167.577 PRESSAVG: 983800 60.4675 20.7959 24.898 20.796 -30.6865 -3.23555 24.898 -3.23551 -9.89509 GPRESSAVG: 983800 59.8544 20.7616 25.7982 22.7679 -31.1699 -4.21187 21.2337 -3.87813 -9.39525 TIMING: 983800 CPU: 2931.37, 0.0029987/step Wall: 2931.37, 0.0029987/step, 3.34538 hours remaining, 207.222656 MB of memory in use. ENERGY: 983800 727.4607 2120.7767 1909.5527 117.8330 -206221.5179 17610.1027 0.0000 0.0000 34234.8336 -149500.9586 298.9813 -183735.7922 -149410.2099 298.4555 -134.6550 -102.1723 557031.5540 6.6286 6.4298 PRESSURE: 984000 -155.041 70.0498 47.7846 70.05 -118.554 -171.684 47.7841 -171.684 -65.1596 GPRESSURE: 984000 -121.458 190.63 50.8804 19.4351 -50.1898 -148.539 -1.39234 -237.25 -68.8632 PRESSAVG: 984000 47.9093 -10.0182 -50.5825 -10.0182 -13.424 -9.13236 -50.5825 -9.1325 -8.88392 GPRESSAVG: 984000 48.1113 -9.87481 -51.6368 -12.2188 -12.7725 -7.89755 -48.9049 -9.11863 -10.1271 TIMING: 984000 CPU: 2931.97, 0.00302054/step Wall: 2931.97, 0.00302054/step, 3.36958 hours remaining, 207.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 984000 737.9386 2036.6396 1901.4034 102.4512 -206128.5029 17706.0544 0.0000 0.0000 34345.3291 -149298.6867 299.9463 -183644.0157 -149203.8333 298.7348 -112.9181 -80.1702 559705.1904 8.5338 8.4039 PRESSURE: 984200 -188.406 40.4519 -112.176 40.4528 25.4837 142.888 -112.176 142.887 57.4188 GPRESSURE: 984200 -140.022 29.9137 -49.9815 5.04997 100.32 130.095 -210.432 146.004 40.4349 PRESSAVG: 984200 42.0945 -12.9916 -51.9872 -12.9917 21.1967 -1.73718 -51.9872 -1.73715 -75.8718 GPRESSAVG: 984200 41.381 -12.8547 -52.1301 -12.7175 20.6915 -4.3439 -51.8249 -2.45058 -74.2592 TIMING: 984200 CPU: 2932.57, 0.00299319/step Wall: 2932.57, 0.00299319/step, 3.33891 hours remaining, 207.222656 MB of memory in use. ENERGY: 984200 741.1892 2107.4710 1930.8270 116.3459 -206509.6040 17893.6696 0.0000 0.0000 34222.4127 -149497.6887 298.8728 -183720.1014 -149405.7128 299.7176 -35.1679 0.2444 559461.0517 -4.1935 -4.0622 LDB: ============= START OF LOAD BALANCING ============== 2936.12 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2936.12 LDB: =============== DONE WITH MIGRATION ================ 2936.12 LDB: ============= START OF LOAD BALANCING ============== 2936.42 LDB: Largest compute 4773 load 0.028767 is 24.3% of average load 0.118156 LDB: Average compute 0.001729 is 1.5% of average load 0.118156 LDB: TIME 2936.42 LOAD: AVG 0.118156 MAX 0.206482 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 2936.42 LOAD: AVG 0.118156 MAX 0.206482 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: TIME 2936.42 LOAD: AVG 0.118156 MAX 0.206482 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: ============== END OF LOAD BALANCING =============== 2936.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2936.43 PRESSURE: 984400 -172.306 -70.8055 -72.1059 -70.8046 298.223 -27.4872 -72.1059 -27.4882 -252.142 GPRESSURE: 984400 -139.372 -50.5282 -147.554 -29.3634 382.279 -71.5636 -82.9121 -60.2417 -277.941 PRESSAVG: 984400 -34.8769 4.24773 -37.6387 4.24769 27.9001 -12.2456 -37.6386 -12.2456 26.9091 GPRESSAVG: 984400 -34.0184 3.9427 -35.0629 5.53759 28.4426 -10.8358 -40.1416 -11.8229 25.3736 TIMING: 984400 CPU: 2933.18, 0.00303124/step Wall: 2933.18, 0.00303124/step, 3.38118 hours remaining, 206.199219 MB of memory in use. ENERGY: 984400 754.0762 2102.5451 1921.2719 113.1794 -206547.9697 17905.2345 0.0000 0.0000 34199.6526 -149552.0100 298.6741 -183751.6626 -149453.0340 298.7829 -42.0750 -11.6780 558518.9874 6.6441 6.5992 PRESSURE: 984600 -140.253 15.4327 -173.308 15.4319 -28.1931 -37.8671 -173.308 -37.8663 -5.71533 GPRESSURE: 984600 -97.2999 -16.5603 -195.67 37.5532 -29.3269 -22.5388 -139.129 10.6788 34.048 PRESSAVG: 984600 -2.37227 16.3333 -64.7108 16.3332 -23.9754 1.83053 -64.7108 1.83044 -3.92961 GPRESSAVG: 984600 -2.18531 17.6395 -68.4663 15.0256 -24.5928 -0.57193 -62.1765 4.31852 -3.82779 TIMING: 984600 CPU: 2933.77, 0.00298536/step Wall: 2933.77, 0.00298536/step, 3.32984 hours remaining, 206.199219 MB of memory in use. ENERGY: 984600 710.1475 2100.7707 1930.3343 122.3340 -206502.2543 17801.8056 0.0000 0.0000 34172.8268 -149664.0354 298.4398 -183836.8622 -149560.6733 298.6593 -58.0539 -30.8596 559221.1000 -10.0924 -10.2020 PRESSURE: 984800 -23.5321 16.2604 -42.7177 16.2608 99.9605 -11.1799 -42.7168 -11.1794 -11.3382 GPRESSURE: 984800 -62.158 -23.5201 23.5836 38.1648 96.9886 -167.086 -76.8469 146.883 127.906 PRESSAVG: 984800 -43.8744 -39.9632 -42.1553 -39.9632 35.7652 18.0039 -42.1552 18.0039 41.1518 GPRESSAVG: 984800 -45.1313 -40.5646 -40.3627 -39.0559 36.0647 19.0383 -42.1594 16.5669 41.8142 TIMING: 984800 CPU: 2934.37, 0.00298065/step Wall: 2934.37, 0.00298065/step, 3.32442 hours remaining, 206.199219 MB of memory in use. ENERGY: 984800 794.9692 1968.5690 1953.2237 120.6226 -207132.4113 18204.2432 0.0000 0.0000 34343.2128 -149747.5708 299.9278 -184090.7836 -149644.0707 297.9055 21.6967 54.2454 555483.2975 11.0142 10.9159 PRESSURE: 985000 82.6279 -164.604 77.3204 -164.602 -79.7204 -51.2389 77.321 -51.2391 165.724 GPRESSURE: 985000 47.2705 -94.075 150.167 -141.634 -21.1371 -42.8765 49.9719 46.355 245.934 PRESSAVG: 985000 -87.1775 28.6686 5.85012 28.6686 -18.5053 -4.93596 5.85012 -4.93605 123.169 GPRESSAVG: 985000 -86.0402 26.7964 6.30269 28.9065 -18.3284 -3.82775 4.64875 -6.24141 121.931 TIMING: 985000 CPU: 2934.97, 0.00298484/step Wall: 2934.97, 0.00298484/step, 3.32893 hours remaining, 206.199219 MB of memory in use. ENERGY: 985000 761.8860 2089.4327 1916.1883 110.6122 -206495.7164 17814.1865 0.0000 0.0000 34167.4110 -149635.9996 298.3925 -183803.4107 -149535.7935 297.8931 56.2103 90.6891 555986.4835 5.8289 5.8541 PRESSURE: 985200 54.0196 74.9644 -60.4812 74.965 86.1156 -82.662 -60.4826 -82.6597 -19.6887 GPRESSURE: 985200 104.819 70.8304 5.44517 50.5557 77.9216 -0.348462 8.79915 -56.9355 33.2952 PRESSAVG: 985200 -19.3158 46.4181 30.9069 46.4181 -20.0885 59.6626 30.9068 59.6626 49.793 GPRESSAVG: 985200 -19.4019 47.6259 29.4698 45.495 -20.9535 58.8857 32.1085 59.1529 50.3109 TIMING: 985200 CPU: 2935.56, 0.00294263/step Wall: 2935.56, 0.00294263/step, 3.28169 hours remaining, 206.199219 MB of memory in use. ENERGY: 985200 723.7994 2079.8140 1946.3958 124.7885 -206670.0080 17899.5879 0.0000 0.0000 34291.7764 -149603.8460 299.4786 -183895.6225 -149496.5980 298.2311 40.1489 72.0119 556138.8043 3.4629 3.3185 PRESSURE: 985400 -249.698 89.5758 81.3288 89.5772 -54.0017 -72.0023 81.3299 -72.0026 -220.265 GPRESSURE: 985400 -225.223 29.1228 10.0737 46.6106 -36.3676 -119.985 100.632 -26.8906 -165.098 PRESSAVG: 985400 -8.12922 71.4691 -17.3641 71.4691 2.44735 42.0491 -17.3639 42.0493 8.32756 GPRESSAVG: 985400 -9.02332 68.6645 -15.2294 73.5069 2.82907 44.2189 -19.129 42.4833 8.58454 TIMING: 985400 CPU: 2936.15, 0.00296907/step Wall: 2936.15, 0.00296907/step, 3.311 hours remaining, 206.199219 MB of memory in use. ENERGY: 985400 759.9294 2069.0110 1912.7400 103.2102 -206162.5306 17471.7330 0.0000 0.0000 34326.7606 -149519.1464 299.7841 -183845.9070 -149424.1473 298.8198 -174.6546 -142.2294 557731.7381 0.8819 0.7968 PRESSURE: 985600 -86.557 -29.1924 26.3793 -29.1905 10.2906 -81.1982 26.3795 -81.1972 -91.0388 GPRESSURE: 985600 -15.9534 -95.9484 70.0354 46.0011 40.6105 -87.8364 9.55209 -42.7284 -94.6283 PRESSAVG: 985600 -36.4078 45.4931 -18.0889 45.493 49.7862 29.7118 -18.0888 29.7118 -2.36449 GPRESSAVG: 985600 -35.8493 48.2116 -19.5464 44.6777 49.6628 29.3974 -17.8567 29.7564 -2.25295 TIMING: 985600 CPU: 2936.75, 0.00299517/step Wall: 2936.75, 0.00299517/step, 3.33995 hours remaining, 206.199219 MB of memory in use. ENERGY: 985600 716.0798 2117.3083 1919.6814 116.6550 -206235.4529 17693.5438 0.0000 0.0000 34201.7370 -149470.4477 298.6923 -183672.1847 -149366.2310 298.9223 -55.7684 -23.3238 556776.5808 3.6713 3.8535 PRESSURE: 985800 -10.2738 61.4588 -14.1015 61.4585 102.404 -22.2257 -14.1013 -22.225 61.992 GPRESSURE: 985800 38.4485 86.2943 12.8081 18.0604 142.45 24.0081 -11.445 6.03704 65.0818 PRESSAVG: 985800 -32.5874 -45.8491 8.5684 -45.849 21.2785 -49.1676 8.56831 -49.1676 -2.39044 GPRESSAVG: 985800 -30.602 -45.9913 8.37355 -45.8548 19.676 -50.1147 8.50157 -50.2765 -2.66606 TIMING: 985800 CPU: 2937.35, 0.00300095/step Wall: 2937.35, 0.00300095/step, 3.34623 hours remaining, 206.199219 MB of memory in use. ENERGY: 985800 727.8609 2104.1602 1954.0530 104.5168 -206368.8976 17807.5741 0.0000 0.0000 34269.9562 -149400.7765 299.2881 -183670.7327 -149305.7526 298.8877 51.3742 81.9934 556443.5013 -4.5665 -4.5307 PRESSURE: 986000 18.4075 -87.7932 -28.9041 -87.7931 -54.2736 61.5903 -28.9042 61.5908 66.306 GPRESSURE: 986000 115.554 -116.679 -8.45782 -158.603 -54.7291 56.106 -63.2783 139.443 73.012 PRESSAVG: 986000 35.6914 -50.98 -0.869499 -50.98 -56.8523 20.501 -0.869485 20.5009 -0.0973978 GPRESSAVG: 986000 34.3011 -49.8449 -1.45242 -51.2601 -56.0076 19.3943 -0.399107 21.3561 0.563355 TIMING: 986000 CPU: 2937.95, 0.00299819/step Wall: 2937.95, 0.00299819/step, 3.34298 hours remaining, 206.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 986000 704.3722 2056.7966 1901.6750 109.5005 -206124.8979 17576.7833 0.0000 0.0000 34365.8785 -149409.8919 300.1258 -183775.7703 -149320.5129 299.1582 10.1466 44.6122 556495.5344 -7.0861 -7.0477 PRESSURE: 986200 166.273 -7.4286 -87.6067 -7.42903 64.1565 81.3343 -87.6067 81.3345 68.0538 GPRESSURE: 986200 210.945 -27.4898 -116.262 20.4985 89.6479 38.4083 -177.914 69.517 95.995 PRESSAVG: 986200 -48.0901 10.5762 -46.443 10.5762 8.36448 61.0766 -46.443 61.0766 68.6713 GPRESSAVG: 986200 -47.7777 9.59896 -47.288 10.903 7.91673 61.898 -46.025 60.7909 69.0323 TIMING: 986200 CPU: 2938.55, 0.00299663/step Wall: 2938.55, 0.00299663/step, 3.34107 hours remaining, 206.199219 MB of memory in use. ENERGY: 986200 759.6121 2120.7338 1952.1888 120.1633 -206455.9310 18032.1385 0.0000 0.0000 34166.4765 -149304.6179 298.3843 -183471.0945 -149208.6020 299.0501 99.4944 132.1961 557333.2888 9.6486 9.7238 PRESSURE: 986400 44.6255 -69.9221 3.76765 -69.923 -132.566 292.64 3.76708 292.639 -101.505 GPRESSURE: 986400 96.4988 -96.4962 -6.65099 -92.1224 -153.578 267.554 -50.6337 371.717 -35.9781 PRESSAVG: 986400 0.857944 -21.8559 -15.9106 -21.856 -14.8441 45.7419 -15.9107 45.7418 35.7744 GPRESSAVG: 986400 1.77558 -22.1587 -14.4105 -23.229 -13.6836 46.8619 -18.0121 45.5108 33.8694 TIMING: 986400 CPU: 2939.14, 0.00297152/step Wall: 2939.14, 0.00297152/step, 3.31292 hours remaining, 206.199219 MB of memory in use. ENERGY: 986400 751.1168 2139.7024 1887.3407 104.0893 -206340.0777 17783.5959 0.0000 0.0000 34276.1994 -149398.0332 299.3426 -183674.2326 -149308.6944 299.4185 -63.1486 -31.0190 556095.8922 7.2627 7.3205 PRESSURE: 986600 -275.776 51.166 -80.685 51.1662 125.102 -23.4764 -80.6859 -23.4753 -169.425 GPRESSURE: 986600 -182.117 139.455 -128.739 -15.447 159.237 -49.3488 -64.9482 -91.6534 -196.053 PRESSAVG: 986600 2.78768 -3.45942 -42.7336 -3.45944 8.16792 32.2308 -42.7338 32.2306 -7.75817 GPRESSAVG: 986600 2.38623 -3.79555 -44.0958 -2.6731 8.79598 28.9117 -41.9984 32.6878 -8.04466 TIMING: 986600 CPU: 2939.74, 0.00300452/step Wall: 2939.74, 0.00300452/step, 3.34954 hours remaining, 206.199219 MB of memory in use. ENERGY: 986600 756.7767 2042.9113 1913.5498 106.6962 -206259.3917 17850.6207 0.0000 0.0000 34141.1898 -149447.6472 298.1635 -183588.8370 -149351.2703 299.2018 -106.6995 -72.9777 559185.7020 1.0658 1.0458 PRESSURE: 986800 -117.135 100.91 -152.963 100.91 -43.2643 -44.4773 -152.963 -44.4768 131.526 GPRESSURE: 986800 -67.856 85.9595 -192.749 71.1911 -29.1464 34.5208 -144.964 -69.5038 165.851 PRESSAVG: 986800 6.39513 23.1607 8.36645 23.1607 29.5063 -54.7372 8.36648 -54.737 -11.1034 GPRESSAVG: 986800 6.01143 24.0002 9.56837 22.9749 28.9233 -52.1783 8.29028 -55.4767 -10.4498 TIMING: 986800 CPU: 2940.34, 0.00300521/step Wall: 2940.34, 0.00300521/step, 3.35014 hours remaining, 206.199219 MB of memory in use. ENERGY: 986800 723.7663 2076.5674 1906.2509 102.9141 -205817.1148 17665.3740 0.0000 0.0000 34058.1372 -149284.1048 297.4382 -183342.2420 -149182.3972 298.5841 -9.6246 22.9495 558885.8315 8.2660 8.1616 PRESSURE: 987000 -117.121 142.05 82.2237 142.05 86.0475 178.896 82.2217 178.897 170.032 GPRESSURE: 987000 -78.4681 82.934 83.5076 169.658 146.164 190.992 128.121 121.764 171.85 PRESSAVG: 987000 16.495 14.7608 47.1982 14.7609 -6.89715 -30.2574 47.1981 -30.2574 -11.0893 GPRESSAVG: 987000 16.0522 14.9067 45.764 12.8786 -5.97354 -29.316 48.0204 -29.0281 -11.2266 TIMING: 987000 CPU: 2940.94, 0.00297127/step Wall: 2940.94, 0.00297126/step, 3.31213 hours remaining, 206.199219 MB of memory in use. ENERGY: 987000 759.1692 2067.7985 1926.0615 120.8284 -206309.8207 17887.4795 0.0000 0.0000 34399.0373 -149149.4463 300.4153 -183548.4836 -149054.5278 299.1677 46.3196 79.8486 558850.9165 -0.4972 -0.3826 PRESSURE: 987200 -89.2408 126.051 9.53482 126.05 -195.586 27.5252 9.53523 27.5262 -141.861 GPRESSURE: 987200 -44.2473 46.0411 -61.9438 148.241 -136.383 -29.5053 38.4271 35.6382 -147.016 PRESSAVG: 987200 22.9677 9.7977 -14.999 9.79766 -13.7238 -14.5156 -14.999 -14.5157 -73.101 GPRESSAVG: 987200 23.9454 8.80201 -12.4268 12.2783 -14.338 -15.6332 -16.9933 -15.0366 -73.2271 TIMING: 987200 CPU: 2941.53, 0.00296957/step Wall: 2941.53, 0.00296957/step, 3.31008 hours remaining, 206.199219 MB of memory in use. ENERGY: 987200 794.1290 2093.8310 1948.4695 104.5964 -205863.3049 17680.8410 0.0000 0.0000 34118.7991 -149122.6388 297.9680 -183241.4379 -149022.3175 299.1809 -142.2291 -109.2157 559193.5583 -21.2857 -21.2066 PRESSURE: 987400 -91.0035 -7.39173 -121.93 -7.39205 257.599 39.4058 -121.93 39.4052 -73.3755 GPRESSURE: 987400 13.5934 -79.1148 -274.266 43.2311 221.806 -28.4041 -61.231 75.7451 -44.3977 PRESSAVG: 987400 25.1923 -19.8159 -29.8367 -19.8159 19.4069 -11.7368 -29.8368 -11.7368 -25.0323 GPRESSAVG: 987400 24.9381 -20.9026 -30.7786 -20.6588 18.2763 -11.5041 -29.8193 -12.9902 -23.6305 TIMING: 987400 CPU: 2942.13, 0.00297046/step Wall: 2942.13, 0.00297046/step, 3.31091 hours remaining, 206.199219 MB of memory in use. ENERGY: 987400 743.5926 2014.8466 1925.6750 106.6738 -206205.9755 18005.9130 0.0000 0.0000 34456.0865 -148953.1879 300.9136 -183409.2744 -148856.4817 299.4328 31.0732 63.6673 558486.4130 6.5223 6.5280 PRESSURE: 987600 253.698 -167.021 -112.144 -167.02 48.3115 111.613 -112.143 111.612 253.055 GPRESSURE: 987600 279.753 -117.785 -179.915 -154.184 81.7035 78.2291 -138.135 219.467 276.717 PRESSAVG: 987600 1.88514 35.4041 -49.2293 35.4042 -10.8891 17.3945 -49.2295 17.3946 22.8324 GPRESSAVG: 987600 2.07191 38.0124 -50.6053 34.47 -10.0265 18.331 -47.2572 17.6174 21.4104 TIMING: 987600 CPU: 2942.72, 0.00295564/step Wall: 2942.72, 0.00295563/step, 3.29422 hours remaining, 206.199219 MB of memory in use. ENERGY: 987600 681.2331 2085.8177 1927.8592 119.9925 -206051.8083 17768.2758 0.0000 0.0000 34419.1600 -149049.4699 300.5911 -183468.6299 -148947.1584 299.7290 185.0215 212.7244 556326.8649 4.6095 4.4853 PRESSURE: 987800 -128.086 -21.2924 46.3159 -21.2931 -97.0973 17.6403 46.3167 17.6395 -256.918 GPRESSURE: 987800 -101.869 -82.8727 97.3202 81.9277 -35.459 101.843 -22.0991 -47.6259 -233.927 PRESSAVG: 987800 -28.4804 -51.323 8.91944 -51.3231 41.1903 60.9836 8.91945 60.9838 -7.96462 GPRESSAVG: 987800 -28.6888 -52.1777 9.49294 -50.4309 40.5007 61.8232 9.32499 58.3135 -7.60807 TIMING: 987800 CPU: 2943.31, 0.00295801/step Wall: 2943.31, 0.00295801/step, 3.29671 hours remaining, 206.199219 MB of memory in use. ENERGY: 987800 768.1546 2138.5804 1931.4683 114.9941 -205785.1407 17597.2768 0.0000 0.0000 34269.4033 -148965.2633 299.2832 -183234.6666 -148874.3699 300.1357 -160.7006 -123.7518 559210.7933 1.5818 1.4013 PRESSURE: 988000 -93.7296 -117.105 35.2811 -117.106 -47.1017 102.35 35.2813 102.351 103.028 GPRESSURE: 988000 -95.3891 -76.1181 73.6006 -82.5324 38.819 7.57092 16.2255 145.975 100.423 PRESSAVG: 988000 -63.0199 -24.5516 17.8097 -24.5516 72.7796 16.6709 17.8097 16.6708 18.4329 GPRESSAVG: 988000 -64.072 -23.3108 17.2484 -25.4506 74.0073 16.3111 17.5482 18.7998 18.7683 TIMING: 988000 CPU: 2943.9, 0.0029725/step Wall: 2943.9, 0.0029725/step, 3.31268 hours remaining, 206.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 988000 755.6989 2104.6834 1934.2647 112.4231 -205985.7866 17916.7575 0.0000 0.0000 34503.3551 -148658.6039 301.3264 -183161.9590 -148561.8718 300.9254 -12.6013 14.6178 558727.6613 9.3975 9.5679 PRESSURE: 988200 -52.1613 -66.0656 138.777 -66.0647 -5.24666 129.238 138.777 129.237 -108.08 GPRESSURE: 988200 21.5833 -16.9984 150.232 -50.722 30.1387 37.4258 52.1999 94.1422 -121.268 PRESSAVG: 988200 13.6661 -33.9975 16.6375 -33.9975 -17.0264 -29.3431 16.6375 -29.3431 2.37727 GPRESSAVG: 988200 14.2995 -36.3263 18.0335 -32.9683 -18.4427 -29.729 17.3364 -30.1972 2.75866 TIMING: 988200 CPU: 2944.49, 0.00294911/step Wall: 2944.49, 0.00294911/step, 3.28645 hours remaining, 206.199219 MB of memory in use. ENERGY: 988200 771.9725 2118.1037 1957.8074 120.6735 -205881.8839 17848.8288 0.0000 0.0000 34371.0270 -148693.4710 300.1707 -183064.4980 -148598.9025 300.9972 -55.1625 -23.1821 558733.9112 -0.3277 -0.4615 LDB: ============= START OF LOAD BALANCING ============== 2948.04 LDB: ============== END OF LOAD BALANCING =============== 2948.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2948.04 LDB: ============= START OF LOAD BALANCING ============== 2948.34 LDB: Largest compute 4773 load 0.026999 is 22.8% of average load 0.118170 LDB: Average compute 0.001731 is 1.5% of average load 0.118170 LDB: TIME 2948.34 LOAD: AVG 0.11817 MAX 0.207536 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 2948.34 LOAD: AVG 0.11817 MAX 0.207536 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: TIME 2948.34 LOAD: AVG 0.11817 MAX 0.207536 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2948.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2948.35 PRESSURE: 988400 217.52 -54.898 -3.77408 -54.8979 52.3338 -57.7149 -3.77439 -57.7153 103.418 GPRESSURE: 988400 250.677 -97.8223 -8.75569 -88.0781 91.2516 -114.912 71.6784 10.5347 143.692 PRESSAVG: 988400 -83.0253 -34.8 8.84236 -34.8 -39.083 -21.8573 8.84232 -21.8573 104.675 GPRESSAVG: 988400 -82.4692 -34.627 7.43257 -33.6098 -40.1585 -24.1542 7.24134 -19.907 105.204 TIMING: 988400 CPU: 2945.1, 0.00302253/step Wall: 2945.1, 0.00302253/step, 3.36811 hours remaining, 207.992188 MB of memory in use. ENERGY: 988400 772.7573 2102.4036 1945.0790 121.7897 -205945.4204 17869.3691 0.0000 0.0000 34361.4782 -148772.5436 300.0873 -183134.0217 -148676.5530 300.4182 124.4239 161.8734 557123.6335 -5.8110 -5.8080 PRESSURE: 988600 91.8996 -18.2563 -76.8802 -18.2539 -165.1 22.1137 -76.8809 22.1147 3.45165 GPRESSURE: 988600 151.427 -37.3845 52.9878 -24.7841 -134.113 27.5653 -71.7457 47.4238 9.94673 PRESSAVG: 988600 -30.2131 -64.5588 -57.6547 -64.5588 12.4291 17.5311 -57.6547 17.531 46.2284 GPRESSAVG: 988600 -32.9254 -63.9641 -55.4745 -66.8258 15.2996 19.1938 -57.781 16.8427 45.8895 TIMING: 988600 CPU: 2945.69, 0.00296571/step Wall: 2945.69, 0.00296571/step, 3.30462 hours remaining, 208.191406 MB of memory in use. ENERGY: 988600 752.5916 2103.2545 1928.3578 126.4612 -205774.3434 17712.3670 0.0000 0.0000 34219.9226 -148931.3886 298.8511 -183151.3113 -148824.7052 300.6237 -23.2497 9.0872 557010.8615 9.4814 9.4213 PRESSURE: 988800 -19.1367 30.4503 -69.3494 30.4497 -288.582 -137.775 -69.3495 -137.776 262.057 GPRESSURE: 988800 26.6582 31.4977 -52.1036 -46.7562 -263.652 -168.315 -112.504 -97.0064 300.815 PRESSAVG: 988800 -1.92722 23.5997 -13.3538 23.5997 0.473136 35.1909 -13.3536 35.191 -18.655 GPRESSAVG: 988800 0.0512192 25.6036 -14.7282 23.2579 -2.78339 34.1962 -12.6328 34.9521 -17.9532 TIMING: 988800 CPU: 2946.29, 0.00300271/step Wall: 2946.29, 0.00300271/step, 3.34569 hours remaining, 208.191406 MB of memory in use. ENERGY: 988800 752.7621 2077.6179 1897.6456 107.3408 -205713.9735 17658.5892 0.0000 0.0000 34187.5655 -149032.4525 298.5685 -183220.0180 -148927.9256 300.5148 -15.2205 21.2738 557426.3889 -6.7030 -6.8951 PRESSURE: 989000 125.16 -215.325 72.8959 -215.325 -38.1268 145.074 72.8963 145.074 -278.537 GPRESSURE: 989000 152.108 -168.849 68.2914 -255.486 -1.3277 92.6656 86.393 109.576 -241.135 PRESSAVG: 989000 -27.9172 -29.8515 -13.5448 -29.8515 60.5721 11.3063 -13.5448 11.3063 -35.3815 GPRESSAVG: 989000 -29.4221 -33.0791 -14.1517 -27.2905 62.3055 12.1405 -11.7296 11.5623 -35.7161 TIMING: 989000 CPU: 2946.89, 0.0029945/step Wall: 2946.89, 0.0029945/step, 3.33637 hours remaining, 208.191406 MB of memory in use. ENERGY: 989000 788.5968 2070.5815 1910.2510 107.8921 -205875.6946 17619.5684 0.0000 0.0000 34435.5744 -148943.2303 300.7344 -183378.8047 -148848.1060 300.0366 -63.8346 -30.1181 556562.5085 -0.9089 -0.9442 PRESSURE: 989200 102.916 82.0795 27.2154 82.0799 30.3829 38.0826 27.2155 38.0831 45.7149 GPRESSURE: 989200 142.058 70.5648 -76.1202 83.7322 51.3583 -16.8871 45.1224 128.889 90.3063 PRESSAVG: 989200 -26.9044 -23.4532 41.7406 -23.4533 18.994 -27.4505 41.7407 -27.4505 22.2816 GPRESSAVG: 989200 -25.4281 -23.8623 42.2992 -23.5296 17.7937 -29.2978 40.2969 -27.6885 21.7434 TIMING: 989200 CPU: 2947.49, 0.00297685/step Wall: 2947.49, 0.00297685/step, 3.31654 hours remaining, 208.191406 MB of memory in use. ENERGY: 989200 798.9900 2103.0543 1941.4623 122.8338 -206295.9979 17898.1214 0.0000 0.0000 34473.4668 -148958.0691 301.0654 -183431.5359 -148859.5629 300.1901 59.6711 94.5741 556626.5360 4.7904 4.7030 PRESSURE: 989400 -203.91 52.9729 19.6421 52.9744 -233.686 3.8773 19.6435 3.87687 -152.714 GPRESSURE: 989400 -134.131 16.343 85.0889 61.7166 -186.656 45.0975 -34.2938 -4.9125 -172.948 PRESSAVG: 989400 29.1939 11.1821 -7.33443 11.1822 44.4888 9.23682 -7.33441 9.23677 -35.8592 GPRESSAVG: 989400 28.5313 13.4764 -6.16256 10.096 44.2332 11.0167 -7.8559 9.07181 -35.0494 TIMING: 989400 CPU: 2948.08, 0.00296854/step Wall: 2948.08, 0.00296854/step, 3.30712 hours remaining, 208.191406 MB of memory in use. ENERGY: 989400 792.1258 2111.1447 1946.8750 119.5903 -206113.9404 17516.7646 0.0000 0.0000 34534.2305 -149093.2095 301.5960 -183627.4400 -148994.8635 299.8529 -196.7699 -164.5781 557073.6443 12.6078 12.5717 PRESSURE: 989600 124.757 161.694 30.0448 161.695 -30.836 38.9014 30.045 38.9028 239.426 GPRESSURE: 989600 147.847 127.015 28.9829 82.278 23.0247 -23.48 53.1063 58.8578 268.552 PRESSAVG: 989600 40.5474 -3.3324 11.3984 -3.33242 -12.8854 55.5699 11.3984 55.5698 -25.4759 GPRESSAVG: 989600 39.6029 -3.41521 12.7193 -3.24679 -10.7092 55.1078 12.3619 56.2926 -26.6753 TIMING: 989600 CPU: 2948.67, 0.00297315/step Wall: 2948.67, 0.00297315/step, 3.31209 hours remaining, 208.191406 MB of memory in use. ENERGY: 989600 788.8722 2067.1807 1932.3892 109.9883 -206091.0268 17835.3579 0.0000 0.0000 34417.7999 -148939.4387 300.5792 -183357.2386 -148843.4830 301.1316 111.1156 146.4748 556259.9655 0.7287 0.7395 PRESSURE: 989800 -8.65516 40.4876 149.453 40.4875 424.889 -68.54 149.454 -68.5385 -84.5162 GPRESSURE: 989800 11.2746 -2.04658 123.192 -12.2116 464.785 -116.923 75.5158 -0.359021 -48.2255 PRESSAVG: 989800 -10.1334 -8.47516 6.39613 -8.47522 -10.5251 -18.0611 6.3961 -18.0611 -17.234 GPRESSAVG: 989800 -9.25273 -8.87816 3.73809 -7.13831 -11.3405 -18.7963 7.03876 -19.7731 -17.7274 TIMING: 989800 CPU: 2949.27, 0.00299038/step Wall: 2949.27, 0.00299038/step, 3.33111 hours remaining, 208.191406 MB of memory in use. ENERGY: 989800 770.9181 2166.1969 1944.9595 112.0823 -206443.1380 17873.9413 0.0000 0.0000 34497.4611 -149077.5788 301.2749 -183575.0400 -148980.7895 300.6743 110.5724 142.6115 555333.6226 -12.6308 -12.7735 PRESSURE: 990000 -1.98678 81.8585 -37.9527 81.8586 -128.936 79.9116 -37.9527 79.9123 -7.35708 GPRESSURE: 990000 -31.1571 34.5707 -72.0514 101.813 -57.8214 47.3986 -1.10036 127.956 39.0041 PRESSAVG: 990000 20.2317 42.8429 -12.7313 42.8429 74.4107 -20.6001 -12.7312 -20.5999 -45.5027 GPRESSAVG: 990000 20.0144 44.139 -12.1695 42.9121 74.0562 -17.3235 -14.8552 -20.9206 -44.4767 TIMING: 990000 CPU: 2949.87, 0.00301073/step Wall: 2949.87, 0.00301073/step, 3.35362 hours remaining, 208.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 990000 730.0669 2134.9787 1931.0516 110.7715 -206050.3188 17620.5021 0.0000 0.0000 34190.5651 -149332.3828 298.5947 -183522.9479 -149236.1946 300.3582 -46.0932 -16.6581 556029.4453 16.3799 16.5313 PRESSURE: 990200 175.009 33.2924 120.34 33.293 -174.05 151.656 120.339 151.655 -66.5515 GPRESSURE: 990200 237.152 2.30464 43.2461 123.848 -164.331 121.798 157.884 221.222 -46.5323 PRESSAVG: 990200 36.3118 1.2379 55.7997 1.23796 -18.2049 -17.6025 55.7997 -17.6024 -45.22 GPRESSAVG: 990200 36.8318 0.720003 56.7437 -0.212872 -18.2476 -20.554 56.6129 -16.0225 -45.5781 TIMING: 990200 CPU: 2950.48, 0.0030156/step Wall: 2950.48, 0.0030156/step, 3.35887 hours remaining, 208.191406 MB of memory in use. ENERGY: 990200 784.4400 2149.8649 1954.0231 110.4857 -206352.8924 17855.0533 0.0000 0.0000 34247.6588 -149251.3664 299.0933 -183499.0253 -149154.3620 299.3163 -21.8639 8.7628 557035.3122 -9.0377 -8.9980 PRESSURE: 990400 -33.4706 -11.6537 -96.1389 -11.6544 -49.9173 -100.379 -96.1389 -100.379 -204.217 GPRESSURE: 990400 7.14275 -45.4434 -184.509 -42.074 33.3568 -126.479 -14.0618 -26.8062 -226.7 PRESSAVG: 990400 -11.1473 15.5836 -23.3515 15.5835 -22.7102 25.6746 -23.3516 25.6747 56.505 GPRESSAVG: 990400 -11.532 12.8201 -24.2777 14.7327 -21.9405 26.5818 -22.8551 26.9668 56.3865 TIMING: 990400 CPU: 2951.07, 0.00297584/step Wall: 2951.07, 0.00297584/step, 3.31442 hours remaining, 208.191406 MB of memory in use. ENERGY: 990400 776.6214 2136.9355 1925.6194 110.7278 -205944.4728 17639.6804 0.0000 0.0000 34186.1048 -149168.7835 298.5558 -183354.8883 -149074.9618 300.0686 -95.8683 -62.0668 557824.7295 7.5492 7.6380 PRESSURE: 990600 -308.452 -142.08 -97.1251 -142.081 -261.766 29.7183 -97.1252 29.7176 -43.1457 GPRESSURE: 990600 -268.755 -119.92 -49.4223 -101.741 -252.778 -1.12276 -61.8547 58.814 -3.07162 PRESSAVG: 990600 -15.5514 -59.0555 16.2554 -59.0555 1.59676 10.3725 16.2553 10.3725 28.2411 GPRESSAVG: 990600 -15.5704 -56.3845 15.6728 -57.6155 0.827053 8.96986 16.0586 8.51344 28.8632 TIMING: 990600 CPU: 2951.67, 0.0029928/step Wall: 2951.67, 0.0029928/step, 3.33315 hours remaining, 208.191406 MB of memory in use. ENERGY: 990600 790.8324 2049.0983 1955.6110 110.4922 -205763.8436 17480.8831 0.0000 0.0000 34252.3216 -149124.6051 299.1340 -183376.9267 -149028.9549 299.7266 -204.4545 -174.8683 556580.2197 4.7622 4.7066 PRESSURE: 990800 16.6468 -160.932 -104.724 -160.931 193.867 68.4029 -104.723 68.4037 -215.139 GPRESSURE: 990800 23.0695 -87.356 -99.5489 -242.389 196.359 -10.8261 -91.3614 32.691 -136.319 PRESSAVG: 990800 -26.3253 -38.3729 34.7998 -38.3729 -3.1818 -30.4136 34.7997 -30.4137 23.0216 GPRESSAVG: 990800 -25.7636 -40.6026 36.3361 -37.6842 -3.84804 -29.6373 32.0949 -28.794 22.6622 TIMING: 990800 CPU: 2952.28, 0.00302317/step Wall: 2952.28, 0.00302317/step, 3.3668 hours remaining, 208.191406 MB of memory in use. ENERGY: 990800 773.4619 2075.0619 1942.6804 125.3261 -206171.6535 17761.7631 0.0000 0.0000 34478.5691 -149014.7910 301.1099 -183493.3601 -148909.4525 300.3411 -1.5417 27.7031 556222.4442 -2.1618 -2.3165 PRESSURE: 991000 -59.8116 108.596 -12.9347 108.597 257.945 -80.763 -12.9353 -80.7617 89.5861 GPRESSURE: 991000 -38.3199 179.734 -21.0024 88.5826 307.245 -62.723 157.972 16.803 125.009 PRESSAVG: 991000 -83.3245 25.717 -5.32077 25.7171 25.4832 6.47134 -5.3207 6.47122 13.2535 GPRESSAVG: 991000 -83.9091 26.6755 -7.50549 25.3498 26.3826 7.62208 -2.38343 6.52764 12.7636 TIMING: 991000 CPU: 2952.87, 0.00297835/step Wall: 2952.87, 0.00297835/step, 3.31673 hours remaining, 208.191406 MB of memory in use. ENERGY: 991000 728.6917 2108.2554 1939.8135 118.9846 -206254.3991 17939.8393 0.0000 0.0000 34351.2816 -149067.5330 299.9983 -183418.8146 -148969.4169 300.2449 95.9064 131.3111 556835.7791 -14.8626 -14.9210 PRESSURE: 991200 179.487 5.46596 43.7631 5.46493 -3.08261 241.472 43.7638 241.472 2.23266 GPRESSURE: 991200 168.025 -78.6648 63.8863 43.5492 33.0411 231.018 -23.3188 288.759 82.2753 PRESSAVG: 991200 -5.17848 5.17773 -21.1479 5.17773 7.07903 20.2823 -21.1479 20.2823 -5.03986 GPRESSAVG: 991200 -6.35909 4.79712 -20.7289 5.72357 6.91199 21.4682 -22.905 18.2338 -3.82133 TIMING: 991200 CPU: 2953.47, 0.00300509/step Wall: 2953.47, 0.00300509/step, 3.34633 hours remaining, 208.191406 MB of memory in use. ENERGY: 991200 761.5450 2082.6469 1941.8392 108.5269 -206099.0185 17898.2133 0.0000 0.0000 34040.0728 -149266.1745 297.2804 -183306.2473 -149176.0809 298.9806 59.5455 94.4470 557970.5659 -1.0464 -1.0895 PRESSURE: 991400 -191.267 -83.0192 59.5843 -83.0191 -390.595 3.13023 59.5845 3.13002 -293.044 GPRESSURE: 991400 -169.844 -6.50683 85.1657 -119.424 -333.755 63.4209 46.8718 -24.8488 -291.608 PRESSAVG: 991400 -16.9895 -33.2392 -12.2006 -33.2391 4.18159 -3.82649 -12.2007 -3.82655 -2.17455 GPRESSAVG: 991400 -15.5192 -32.5095 -11.7685 -33.8729 3.26063 -4.87569 -11.1614 -3.64293 -2.60065 TIMING: 991400 CPU: 2954.08, 0.00301734/step Wall: 2954.08, 0.00301734/step, 3.3598 hours remaining, 208.191406 MB of memory in use. ENERGY: 991400 783.0569 2069.3208 1931.1469 122.1939 -205511.3592 17331.0533 0.0000 0.0000 34057.3413 -149217.2461 297.4312 -183274.5874 -149112.6607 299.3223 -291.6352 -265.0690 557747.3953 -4.9942 -4.9531 PRESSURE: 991600 -119.163 -92.0102 -131.51 -92.0108 -94.0058 93.4797 -131.51 93.4795 26.1772 GPRESSURE: 991600 -107.883 -160.959 -136.589 -39.9257 -49.5841 -49.6297 -201.827 171.786 72.2216 PRESSAVG: 991600 -51.4663 -9.07923 -33.8472 -9.07923 -20.7925 10.0365 -33.8472 10.0363 37.8869 GPRESSAVG: 991600 -52.0973 -11.1981 -34.4978 -6.8564 -20.2608 7.50566 -34.9153 11.7476 38.0598 TIMING: 991600 CPU: 2954.68, 0.00299752/step Wall: 2954.68, 0.00299752/step, 3.33757 hours remaining, 208.191406 MB of memory in use. ENERGY: 991600 763.6988 2069.9947 1940.2108 104.7896 -206196.6852 17925.8771 0.0000 0.0000 34074.2776 -149317.8365 297.5791 -183392.1141 -149227.2756 299.1518 -62.3307 -28.4152 557840.5010 -11.4573 -11.4328 PRESSURE: 991800 115.003 -137.916 55.7761 -137.915 154.622 -156.513 55.7754 -156.513 -2.64921 GPRESSURE: 991800 176.062 -224.785 39.2858 -151.564 154.282 -163.386 148.08 -142.947 47.1806 PRESSAVG: 991800 -57.6447 -5.00239 35.7838 -5.00234 -35.785 14.9645 35.7838 14.9644 53.4613 GPRESSAVG: 991800 -57.2553 -3.86367 36.1155 -6.80791 -35.7953 16.8097 35.1122 13.5466 53.0069 TIMING: 991800 CPU: 2955.28, 0.00303266/step Wall: 2955.28, 0.00303266/step, 3.37653 hours remaining, 208.191406 MB of memory in use. ENERGY: 991800 746.1044 2136.4714 1930.4003 116.4792 -206225.0584 17915.8810 0.0000 0.0000 34238.5269 -149141.1952 299.0136 -183379.7222 -149044.5308 299.5515 88.9920 125.8414 558213.4056 -13.3228 -13.3479 PRESSURE: 992000 102.014 49.2885 163.713 49.2883 81.5266 -150.885 163.714 -150.884 -192.355 GPRESSURE: 992000 109.456 81.6344 179.028 31.8878 137.42 -252.36 149.838 -71.4723 -165.39 PRESSAVG: 992000 54.0364 -2.08358 35.029 -2.08353 -25.4476 1.61313 35.029 1.61323 -29.5227 GPRESSAVG: 992000 52.1681 0.64202 36.1134 -3.76061 -24.3036 2.29796 33.6714 2.68332 -29.0283 TIMING: 992000 CPU: 2955.89, 0.00303078/step Wall: 2955.89, 0.00303078/step, 3.37427 hours remaining, 208.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 992000 787.0364 2047.5269 1943.5296 119.5325 -206497.7890 18149.7123 0.0000 0.0000 34198.2830 -149252.1683 298.6621 -183450.4514 -149153.2136 299.2558 -2.9378 27.1618 558772.0725 -0.3113 -0.3879 PRESSURE: 992200 -133.719 -40.2259 -130.467 -40.2262 18.009 -0.283331 -130.467 -0.281858 -362.813 GPRESSURE: 992200 -84.0081 -2.17149 -55.2465 -9.54543 56.5575 -49.1652 -117.926 9.64269 -343.039 PRESSAVG: 992200 12.5981 27.5892 21.7841 27.5892 10.2915 -10.8231 21.7841 -10.823 -27.9399 GPRESSAVG: 992200 14.1054 25.7135 20.0767 29.8797 9.1947 -10.1644 25.246 -12.4142 -28.8546 TIMING: 992200 CPU: 2956.49, 0.00298536/step Wall: 2956.49, 0.00298536/step, 3.32353 hours remaining, 208.191406 MB of memory in use. ENERGY: 992200 714.2721 2133.3323 1899.5674 106.2109 -205735.6046 17357.7318 0.0000 0.0000 34211.9414 -149312.5487 298.7814 -183524.4901 -149211.9204 299.2561 -159.5077 -123.4964 558157.1393 -1.6834 -1.8515 LDB: ============= START OF LOAD BALANCING ============== 2960.03 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2960.03 LDB: =============== DONE WITH MIGRATION ================ 2960.03 LDB: ============= START OF LOAD BALANCING ============== 2960.34 LDB: Largest compute 4773 load 0.027613 is 23.4% of average load 0.118130 LDB: Average compute 0.001727 is 1.5% of average load 0.118130 LDB: TIME 2960.34 LOAD: AVG 0.11813 MAX 0.211516 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.996 MB LDB: TIME 2960.34 LOAD: AVG 0.11813 MAX 0.211516 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.039 MB LDB: TIME 2960.34 LOAD: AVG 0.11813 MAX 0.211516 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2960.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2960.34 PRESSURE: 992400 -155.18 0.141548 -68.6053 0.141303 -111.459 -88.7793 -68.6061 -88.7784 56.4818 GPRESSURE: 992400 -126.934 11.4756 -102.81 31.555 -43.0725 -49.8485 28.216 -93.5628 50.4381 PRESSAVG: 992400 -49.9078 -3.3691 -79.6405 -3.36907 60.4152 3.4021 -79.6405 3.40212 -23.9928 GPRESSAVG: 992400 -50.3584 -3.31351 -80.4765 -4.68624 60.3682 2.58543 -79.2407 4.13092 -23.6558 TIMING: 992400 CPU: 2957.09, 0.00304409/step Wall: 2957.09, 0.00304409/step, 3.38875 hours remaining, 206.507812 MB of memory in use. ENERGY: 992400 761.6851 2109.7185 1923.2962 107.9570 -206491.1189 17852.2538 0.0000 0.0000 34434.5206 -149301.6877 300.7252 -183736.2083 -149211.7375 298.7657 -70.0525 -39.8560 555817.2451 -4.4951 -4.5486 PRESSURE: 992600 -231.441 48.9413 -58.8614 48.9397 344.546 80.4163 -58.8618 80.4169 90.9289 GPRESSURE: 992600 -178.815 68.7487 -18.3134 7.27965 326.359 48.4848 -37.7576 107.211 151.359 PRESSAVG: 992600 -13.1777 1.5834 -26.0544 1.58339 11.7198 -16.6336 -26.0543 -16.6336 -23.6275 GPRESSAVG: 992600 -12.0486 0.153773 -23.9053 5.26479 10.7007 -16.1998 -28.6872 -17.8748 -23.6453 TIMING: 992600 CPU: 2957.69, 0.00298651/step Wall: 2957.69, 0.00298651/step, 3.32448 hours remaining, 206.507812 MB of memory in use. ENERGY: 992600 757.2067 2073.4575 1917.3953 104.3743 -206694.7644 18050.9746 0.0000 0.0000 34489.1191 -149302.2369 301.2021 -183791.3560 -149206.1769 299.2591 68.0115 99.6342 556525.4148 -8.3618 -8.3311 PRESSURE: 992800 173.795 -23.6745 -61.6945 -23.6743 374.821 -6.35267 -61.6937 -6.35246 213.997 GPRESSURE: 992800 190.98 0.0616864 -114.369 -46.7705 446.712 29.0619 -64.7577 -36.0941 224.854 PRESSAVG: 992800 -7.39127 -2.53077 -11.1497 -2.53074 0.604813 10.6452 -11.1496 10.6451 45.5373 GPRESSAVG: 992800 -8.92523 -0.0191589 -9.96061 -6.63961 1.93852 11.6388 -11.7028 11.2605 45.8072 TIMING: 992800 CPU: 2958.29, 0.00299841/step Wall: 2958.29, 0.00299841/step, 3.33756 hours remaining, 206.507812 MB of memory in use. ENERGY: 992800 705.5102 2102.5342 1921.1338 103.6111 -206290.8217 17954.7781 0.0000 0.0000 34176.4171 -149326.8372 298.4712 -183503.2543 -149236.3921 299.4594 254.2041 287.5153 557360.0188 12.9169 12.9402 PRESSURE: 993000 -99.5765 -28.3687 9.64133 -28.3687 -153.32 -106.45 9.64237 -106.449 223.745 GPRESSURE: 993000 -39.0481 -20.32 -73.116 -20.1306 -121.922 -36.0169 81.8456 -147.203 213.342 PRESSAVG: 993000 -45.6028 11.2136 -44.7225 11.2136 -25.7405 -68.6325 -44.7225 -68.6324 13.2372 GPRESSAVG: 993000 -44.8221 10.1904 -46.4048 12.9479 -26.2684 -69.1542 -43.6169 -68.4308 12.9604 TIMING: 993000 CPU: 2958.89, 0.00299269/step Wall: 2958.89, 0.00299269/step, 3.33103 hours remaining, 206.507812 MB of memory in use. ENERGY: 993000 759.6803 2122.4759 1923.9377 111.1140 -206602.3677 17956.0700 0.0000 0.0000 34300.9114 -149428.1785 299.5584 -183729.0899 -149331.9485 298.8866 -9.7169 17.4574 558162.1330 -19.3687 -19.3767 PRESSURE: 993200 131.155 56.1856 16.8679 56.1846 0.611291 97.5054 16.8686 97.5062 67.9994 GPRESSURE: 993200 91.6617 98.9092 18.6329 3.54886 114.305 -50.1051 87.9246 130.038 91.1043 PRESSAVG: 993200 26.3203 -15.3608 22.0385 -15.3608 -94.8386 -29.205 22.0384 -29.205 21.1635 GPRESSAVG: 993200 24.9519 -17.8163 21.3627 -13.4641 -94.1734 -31.5306 22.1637 -28.3098 22.1212 TIMING: 993200 CPU: 2959.49, 0.00298816/step Wall: 2959.49, 0.00298816/step, 3.32582 hours remaining, 206.507812 MB of memory in use. ENERGY: 993200 756.4577 2116.0464 1928.9561 101.9850 -206983.7810 18253.0913 0.0000 0.0000 34285.2129 -149542.0314 299.4213 -183827.2444 -149449.7082 298.4014 66.5885 99.0237 557158.0128 -15.7849 -15.7001 PRESSURE: 993400 -178.554 50.816 -70.9264 50.8171 -41.4133 -6.94847 -70.9263 -6.95045 -58.923 GPRESSURE: 993400 -239.467 8.37447 -55.4114 38.1113 62.4209 59.0575 -56.3021 -25.982 -1.5564 PRESSAVG: 993400 0.762221 21.4307 6.32037 21.4306 45.0797 55.0259 6.32031 55.0258 -51.0827 GPRESSAVG: 993400 1.70554 23.7 6.85053 20.5108 44.6603 57.4927 5.5857 53.2612 -50.9491 TIMING: 993400 CPU: 2960.08, 0.00298654/step Wall: 2960.08, 0.00298654/step, 3.32385 hours remaining, 206.507812 MB of memory in use. ENERGY: 993400 745.4048 2078.9803 1935.0168 94.1830 -206231.0875 17785.0276 0.0000 0.0000 33920.2702 -149672.2047 296.2342 -183592.4750 -149570.0964 298.5525 -92.9634 -59.5341 558350.0446 -1.7469 -1.5278 PRESSURE: 993600 69.374 -1.54703 -144.897 -1.54828 -107.222 29.951 -144.897 29.95 50.8097 GPRESSURE: 993600 114.061 -25.6668 -90.5283 -20.8787 -91.3224 42.3117 -140.129 63.3693 67.9033 PRESSAVG: 993600 10.4921 -9.63699 -2.26669 -9.63694 1.74981 45.2524 -2.26671 45.2524 20.9455 GPRESSAVG: 993600 9.93911 -9.68178 -1.25237 -10.8669 2.43352 46.3188 -1.26404 44.5237 20.5257 TIMING: 993600 CPU: 2960.68, 0.00299805/step Wall: 2960.68, 0.00299805/step, 3.3365 hours remaining, 206.507812 MB of memory in use. ENERGY: 993600 721.1032 2147.5618 1955.8632 119.8392 -206565.0173 17984.7594 0.0000 0.0000 34033.5430 -149602.3475 297.2234 -183635.8905 -149508.8204 298.1309 4.3207 30.2139 558443.6091 11.0625 10.9661 PRESSURE: 993800 -72.3665 -102.036 56.7367 -102.035 190.171 -109.108 56.7374 -109.108 -63.9926 GPRESSURE: 993800 -34.8569 -122.224 -30.8651 -53.7473 206.337 -43.8458 17.4311 -162.764 -23.4079 PRESSAVG: 993800 -7.40938 -37.0567 -2.29278 -37.0566 21.8528 -12.9214 -2.29276 -12.9215 -10.5039 GPRESSAVG: 993800 -7.12732 -37.3791 -3.38872 -35.9303 21.3657 -15.9941 -2.80346 -11.5196 -10.9072 TIMING: 993800 CPU: 2961.28, 0.00299644/step Wall: 2961.28, 0.00299644/step, 3.33454 hours remaining, 206.507812 MB of memory in use. ENERGY: 993800 700.2814 2082.2637 1915.4169 116.5413 -206349.3259 17747.7838 0.0000 0.0000 34281.4693 -149505.5695 299.3886 -183787.0388 -149407.8024 298.5532 17.9372 49.3574 557333.5757 1.3132 1.1104 PRESSURE: 994000 -201.159 -1.17171 -68.9668 -1.17074 -125.639 -20.0576 -68.965 -20.058 -185.168 GPRESSURE: 994000 -162.738 -87.8103 22.5959 88.2616 -81.6498 -95.1744 -19.5388 -24.8708 -174.277 PRESSAVG: 994000 -44.1512 -56.1454 -42.5168 -56.1454 24.5103 38.6355 -42.5168 38.6354 27.6852 GPRESSAVG: 994000 -43.9462 -56.5269 -41.968 -57.9618 23.4702 37.7566 -43.0605 40.6636 28.6284 TIMING: 994000 CPU: 2961.88, 0.00297546/step Wall: 2961.88, 0.00297546/step, 3.31102 hours remaining, 206.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 994000 765.9012 2109.6286 1927.5507 107.2844 -206486.9361 17681.3617 0.0000 0.0000 34188.3451 -149706.8644 298.5753 -183895.2096 -149612.4458 298.4046 -170.6554 -139.5550 558139.0110 2.6815 2.7175 PRESSURE: 994200 177.345 -25.91 13.0796 -25.9106 -113.987 7.93071 13.0801 7.93172 -139.355 GPRESSURE: 994200 182.846 0.616461 -55.4232 -23.1921 -43.1586 -74.1258 92.7432 0.276575 -123.695 PRESSAVG: 994200 56.4548 -27.921 -28.5215 -27.9209 -29.6272 29.8213 -28.5215 29.8214 0.931413 GPRESSAVG: 994200 56.9693 -26.0213 -28.3671 -27.6554 -28.8285 30.9788 -30.0181 27.1938 -0.7755 TIMING: 994200 CPU: 2962.48, 0.00298904/step Wall: 2962.48, 0.00298904/step, 3.32597 hours remaining, 206.507812 MB of memory in use. ENERGY: 994200 764.5871 2067.4749 1908.5070 107.4693 -206654.6048 17858.5249 0.0000 0.0000 34315.7858 -149632.2559 299.6883 -183948.0417 -149535.3947 297.4897 -25.3322 5.3309 555879.2128 9.2530 9.1218 PRESSURE: 994400 -240.73 -50.0184 -150.117 -50.0193 -109.703 -11.7557 -150.118 -11.7565 -111.649 GPRESSURE: 994400 -201.578 -73.5422 -90.6835 -74.212 -80.7253 -77.4387 -144.122 -45.567 -84.1974 PRESSAVG: 994400 -37.6571 -38.3931 -6.90067 -38.3931 29.117 -13.1994 -6.90063 -13.1994 8.25833 GPRESSAVG: 994400 -37.2996 -40.2835 -6.69831 -38.4257 30.0105 -14.6957 -4.10454 -11.4483 7.52787 TIMING: 994400 CPU: 2963.07, 0.00298381/step Wall: 2963.07, 0.00298381/step, 3.31999 hours remaining, 206.507812 MB of memory in use. ENERGY: 994400 734.3816 2085.1171 1947.0225 106.1546 -206285.3061 17535.0453 0.0000 0.0000 34249.0644 -149628.5206 299.1056 -183877.5850 -149535.3416 298.7450 -154.0274 -122.1670 556223.3037 -0.0939 0.0796 PRESSURE: 994600 56.311 -145.549 -32.08 -145.549 51.8557 -46.4814 -32.0811 -46.4812 -312.69 GPRESSURE: 994600 47.3663 -182.916 -41.7337 -88.9411 79.9427 -20.7856 -14.6089 -114.134 -232.728 PRESSAVG: 994600 -8.1847 -44.1753 -99.6301 -44.1754 -67.77 -28.5054 -99.63 -28.5055 51.5894 GPRESSAVG: 994600 -8.95253 -42.6368 -99.3418 -45.8121 -67.5259 -26.8653 -100.031 -29.8054 52.1366 TIMING: 994600 CPU: 2963.67, 0.00300537/step Wall: 2963.67, 0.00300537/step, 3.3438 hours remaining, 206.507812 MB of memory in use. ENERGY: 994600 716.4005 2070.1838 1938.5255 115.0190 -206359.2722 17608.6085 0.0000 0.0000 34128.7711 -149781.7638 298.0550 -183910.5349 -149683.2742 297.9957 -68.1743 -35.1397 555154.0314 -8.1218 -8.1140 PRESSURE: 994800 -139.66 79.4754 -45.177 79.4749 -69.1012 -67.1144 -45.1771 -67.1155 -177.001 GPRESSURE: 994800 -131.142 144.875 -23.7224 25.2593 -48.5714 -45.3188 -98.0014 -135.441 -103.291 PRESSAVG: 994800 10.48 -11.7614 -45.9343 -11.7614 15.1373 44.9715 -45.9343 44.9716 -69.3819 GPRESSAVG: 994800 10.0196 -13.2524 -47.3638 -12.0551 14.5205 44.4256 -48.6617 44.4254 -68.8733 TIMING: 994800 CPU: 2964.28, 0.00300632/step Wall: 2964.28, 0.00300632/step, 3.3447 hours remaining, 206.507812 MB of memory in use. ENERGY: 994800 747.8011 2073.6479 1939.9103 122.2627 -206342.3612 17634.8323 0.0000 0.0000 34183.0229 -149640.8840 298.5288 -183823.9069 -149541.9459 297.8320 -128.5873 -94.3348 555443.1690 -14.5882 -14.7777 PRESSURE: 995000 -133.447 4.08487 -48.4729 4.08359 -181.743 16.0983 -48.4725 16.0977 -110.273 GPRESSURE: 995000 -101.787 10.1243 -110.142 -9.62043 -163.185 -21.4757 -2.01087 114.534 -61.3307 PRESSAVG: 995000 -30.3828 -2.11257 -6.77018 -2.11259 32.5759 -0.00275401 -6.77022 -0.00287051 24.3759 GPRESSAVG: 995000 -30.6527 -1.67576 -7.71152 1.19351 32.72 -0.0820109 -2.5777 1.3187 24.5011 TIMING: 995000 CPU: 2964.87, 0.00298937/step Wall: 2964.87, 0.00298937/step, 3.32568 hours remaining, 206.507812 MB of memory in use. ENERGY: 995000 776.2438 2139.1051 1960.7457 121.0828 -206443.0380 17681.9080 0.0000 0.0000 34102.9833 -149660.9693 297.8298 -183763.9526 -149573.1007 298.4411 -141.8208 -108.7674 555935.5036 8.8563 8.8561 PRESSURE: 995200 81.2838 -57.7136 -153 -57.7133 50.2292 -33.3709 -153 -33.3715 -61.9526 GPRESSURE: 995200 176.051 -27.3421 -153.757 -91.7111 39.2583 -73.6744 -136.164 61.6694 -45.2712 PRESSAVG: 995200 -44.3663 -8.20148 -37.785 -8.20156 29.6272 20.0047 -37.785 20.0047 -15.3211 GPRESSAVG: 995200 -44.4581 -6.49075 -35.34 -9.9222 28.2245 20.4206 -40.9628 19.4786 -13.8756 TIMING: 995200 CPU: 2965.48, 0.00300954/step Wall: 2965.48, 0.00300954/step, 3.34795 hours remaining, 206.507812 MB of memory in use. ENERGY: 995200 759.5259 2119.9859 1924.7199 118.8080 -206719.4356 18014.7026 0.0000 0.0000 34003.2546 -149778.4387 296.9589 -183781.6933 -149679.2776 297.8384 23.1868 56.6793 555537.3771 -10.0201 -10.0364 PRESSURE: 995400 154.814 7.43873 48.8798 7.43874 181.832 -11.5887 48.8797 -11.5888 153.738 GPRESSURE: 995400 176.938 -90.7815 115.099 26.5514 249.916 -66.5823 62.7057 -20.614 170.772 PRESSAVG: 995400 -30.3899 -18.3337 -35.6773 -18.3338 -33.0642 -6.32727 -35.6772 -6.32713 60.8618 GPRESSAVG: 995400 -30.0675 -19.5124 -35.3378 -17.2742 -32.8236 -4.83934 -33.8994 -6.74243 59.9751 TIMING: 995400 CPU: 2966.07, 0.00298418/step Wall: 2966.07, 0.00298418/step, 3.31957 hours remaining, 206.507812 MB of memory in use. ENERGY: 995400 718.2338 2090.2810 1935.6730 115.4424 -206952.1545 18100.5731 0.0000 0.0000 34166.4764 -149825.4748 298.3843 -183991.9512 -149728.9485 297.4767 163.4613 199.2087 555906.8468 -0.8641 -0.9720 PRESSURE: 995600 -150.331 58.2038 -88.8862 58.2037 -166.177 -139.485 -88.8859 -139.486 285.75 GPRESSURE: 995600 -98.229 60.4774 -48.0166 73.4936 -63.9772 -125.1 -29.2552 -198.655 225.948 PRESSAVG: 995600 7.22657 -6.70848 7.33071 -6.70845 25.4871 -58.9033 7.33076 -58.9033 -20.3593 GPRESSAVG: 995600 6.72144 -6.36531 7.3347 -8.09015 27.2288 -61.0989 5.22623 -60.7631 -21.8322 TIMING: 995600 CPU: 2966.68, 0.00301835/step Wall: 2966.68, 0.00301835/step, 3.35741 hours remaining, 206.507812 MB of memory in use. ENERGY: 995600 736.4858 2055.1370 1911.7427 108.6256 -206648.2857 17854.1834 0.0000 0.0000 34338.0296 -149644.0816 299.8826 -183982.1112 -149545.0406 297.7343 -10.2529 21.2471 556600.1688 4.1181 4.0394 PRESSURE: 995800 109.222 -13.8522 -105.125 -13.8535 329.58 -85.2909 -105.124 -85.2903 172.931 GPRESSURE: 995800 147.503 -46.6407 -97.1903 17.0974 342.758 0.69163 -32.0021 -106.607 222.395 PRESSAVG: 995800 3.68104 -59.2313 20.3121 -59.2312 58.0077 -75.9076 20.3121 -75.9078 -21.4369 GPRESSAVG: 995800 3.15083 -60.2436 18.5407 -58.2544 56.814 -73.946 22.4698 -75.2116 -19.9898 TIMING: 995800 CPU: 2967.27, 0.00298474/step Wall: 2967.27, 0.00298474/step, 3.31986 hours remaining, 206.507812 MB of memory in use. ENERGY: 995800 719.6269 2073.4526 1945.1820 107.8592 -206684.0826 18227.8866 0.0000 0.0000 34174.3569 -149435.7183 298.4532 -183610.0753 -149339.9179 298.2298 203.9110 237.5522 558001.2867 13.4173 13.3250 PRESSURE: 996000 -240.928 -114.128 -19.5528 -114.129 -207.632 -95.8678 -19.5533 -95.8668 -83.4276 GPRESSURE: 996000 -167.882 -100.778 -30.857 -103.547 -151.374 -107.93 -104.818 -66.7633 -108.038 PRESSAVG: 996000 -37.0302 24.5287 3.70502 24.5287 -49.153 25.2633 3.70493 25.2632 16.1783 GPRESSAVG: 996000 -35.5399 25.4899 4.37925 23.2218 -49.8445 24.9521 2.59191 26.2019 15.6248 TIMING: 996000 CPU: 2967.87, 0.00299657/step Wall: 2967.87, 0.00299657/step, 3.33285 hours remaining, 206.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 996000 755.6279 2089.2461 1921.2543 105.6814 -205880.7307 17501.8920 0.0000 0.0000 33997.4070 -149509.6221 296.9078 -183507.0291 -149410.9959 298.5838 -177.3292 -142.4309 558857.7611 -23.3350 -23.2532 PRESSURE: 996200 -50.622 -148.928 -24.0625 -148.929 -223.75 154.152 -24.0635 154.151 -1.16676 GPRESSURE: 996200 -70.8407 -126.824 43.2988 -130.612 -133.972 174.123 -65.1049 168.287 45.5339 PRESSAVG: 996200 2.27768 -53.5942 -5.54152 -53.5941 -61.4481 -36.1515 -5.54155 -36.1516 49.4975 GPRESSAVG: 996200 0.778199 -54.2078 -5.18458 -53.6222 -59.9495 -38.3512 -4.5337 -34.9891 49.1451 TIMING: 996200 CPU: 2968.47, 0.00300381/step Wall: 2968.47, 0.00300381/step, 3.34074 hours remaining, 206.507812 MB of memory in use. ENERGY: 996200 756.8050 2080.9440 1957.9614 125.1386 -206136.9725 17600.8564 0.0000 0.0000 34179.9447 -149435.3223 298.5020 -183615.2670 -149343.3611 298.9928 -91.8463 -53.0930 556980.6973 -3.2243 -3.3421 LDB: ============= START OF LOAD BALANCING ============== 2972.02 LDB: ============== END OF LOAD BALANCING =============== 2972.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2972.03 LDB: ============= START OF LOAD BALANCING ============== 2972.33 LDB: Largest compute 4773 load 0.028804 is 24.4% of average load 0.118157 LDB: Average compute 0.001725 is 1.5% of average load 0.118157 LDB: TIME 2972.33 LOAD: AVG 0.118157 MAX 0.20939 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.996 MB LDB: TIME 2972.33 LOAD: AVG 0.118157 MAX 0.20939 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206 MB LDB: TIME 2972.33 LOAD: AVG 0.118157 MAX 0.20939 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206 MB LDB: ============== END OF LOAD BALANCING =============== 2972.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2972.34 PRESSURE: 996400 -181.484 -72.1509 -18.808 -72.1515 -186.591 -152.512 -18.8088 -152.512 -145.182 GPRESSURE: 996400 -130.649 -73.2966 -2.75314 -158.648 -169.714 -201.576 -98.8056 -96.267 -99.1209 PRESSAVG: 996400 0.356824 1.92717 -32.5628 1.92724 -30.055 -36.456 -32.5628 -36.456 48.3355 GPRESSAVG: 996400 0.288184 0.834966 -32.5847 3.09897 -29.8509 -34.505 -32.8291 -37.6735 48.2126 TIMING: 996400 CPU: 2969.09, 0.00306419/step Wall: 2969.09, 0.00306419/step, 3.40772 hours remaining, 207.222656 MB of memory in use. ENERGY: 996400 794.5292 2089.8189 1918.1152 105.1754 -205908.3868 17440.0921 0.0000 0.0000 34072.1170 -149488.5390 297.5603 -183560.6560 -149397.8236 298.5627 -171.0857 -133.1613 556296.3253 6.2124 6.2166 PRESSURE: 996600 8.10085 -33.996 122.427 -33.9958 201.033 12.1872 122.427 12.1859 118.43 GPRESSURE: 996600 80.0928 -24.0771 104.436 -52.2403 214.982 26.359 76.4968 64.1891 144.035 PRESSAVG: 996600 -42.0065 -58.0572 3.56315 -58.0573 -11.8822 5.98195 3.56313 5.98201 58.5987 GPRESSAVG: 996600 -41.693 -55.4795 3.22527 -60.7296 -12.2851 5.20983 2.57391 6.75387 58.7776 TIMING: 996600 CPU: 2969.68, 0.00299034/step Wall: 2969.68, 0.00299034/step, 3.32543 hours remaining, 207.222656 MB of memory in use. ENERGY: 996600 759.1868 2086.9398 1921.9442 99.9872 -206522.8989 18150.6058 0.0000 0.0000 34220.8689 -149283.3663 298.8594 -183504.2352 -149184.9969 299.0885 109.1881 146.3699 556056.2535 1.5700 1.5998 PRESSURE: 996800 -180.558 62.9308 -60.2241 62.9317 -183.581 137.289 -60.2241 137.289 31.3764 GPRESSURE: 996800 -92.746 -21.026 -64.8513 102.052 -158.537 69.4638 -56.598 88.2566 0.738064 PRESSAVG: 996800 -61.1824 -37.1825 -41.5355 -37.1826 74.8068 9.89056 -41.5354 9.8907 -0.930566 GPRESSAVG: 996800 -60.0852 -39.3328 -40.8848 -35.2504 74.3506 9.10144 -40.805 8.15068 -1.8847 TIMING: 996800 CPU: 2970.28, 0.00298804/step Wall: 2970.28, 0.00298804/step, 3.3227 hours remaining, 207.222656 MB of memory in use. ENERGY: 996800 762.6326 2099.6633 1910.5667 113.8761 -206168.0732 17804.8710 0.0000 0.0000 34185.8100 -149290.6534 298.5532 -183476.4635 -149199.9045 298.3298 -110.9208 -83.5150 557627.4207 4.2313 4.1269 PRESSURE: 997000 22.1441 -2.43044 -31.9985 -2.43193 -157.458 19.5374 -31.9977 19.5371 -154.844 GPRESSURE: 997000 86.8357 41.8649 4.86639 15.2443 -152.463 42.4906 -2.45907 0.356451 -135.93 PRESSAVG: 997000 21.0743 72.9707 -37.3615 72.9706 28.9709 -4.88975 -37.3616 -4.88974 -13.0009 GPRESSAVG: 997000 21.2061 73.9314 -36.0644 73.5001 27.9336 -4.53788 -36.3717 -4.69041 -12.6669 TIMING: 997000 CPU: 2970.88, 0.00296844/step Wall: 2970.88, 0.00296844/step, 3.30074 hours remaining, 207.222656 MB of memory in use. ENERGY: 997000 749.9593 2106.9193 1920.5461 122.6013 -206330.4184 17848.6788 0.0000 0.0000 34107.3989 -149474.3148 297.8684 -183581.7137 -149380.8484 298.2151 -96.7192 -67.1859 557536.6354 12.3481 12.1576 PRESSURE: 997200 37.154 42.3719 65.7054 42.3711 -79.0865 -36.6173 65.7052 -36.6161 202.855 GPRESSURE: 997200 70.1089 96.3172 -21.0481 -34.1257 -62.7259 -19.5645 69.0242 35.7128 256.27 PRESSAVG: 997200 -77.6702 44.8003 15.0349 44.8003 60.1721 -3.71744 15.0348 -3.71743 -1.40393 GPRESSAVG: 997200 -78.7944 44.3904 12.3453 43.2153 60.4923 -4.19552 12.9473 -2.68053 -0.346015 TIMING: 997200 CPU: 2971.47, 0.00298586/step Wall: 2971.47, 0.00298586/step, 3.31995 hours remaining, 207.222656 MB of memory in use. ENERGY: 997200 775.0544 2093.9722 1922.9514 114.1132 -206427.7972 18040.2609 0.0000 0.0000 34035.0629 -149446.3821 297.2367 -183481.4450 -149350.2775 298.5432 53.6409 87.8844 557509.8856 -6.3007 -6.2161 PRESSURE: 997400 -251.557 68.9805 174.883 68.9809 -218.72 19.4217 174.882 19.422 -12.8692 GPRESSURE: 997400 -206.1 70.5082 130.417 10.0998 -173.327 -16.4496 193.934 48.2993 -13.5917 PRESSAVG: 997400 53.1876 47.0986 -5.61342 47.0986 -10.8994 26.3685 -5.61334 26.3686 -22.9804 GPRESSAVG: 997400 53.7223 47.1653 -2.07638 48.8386 -9.84369 28.4296 -5.29776 25.6987 -24.849 TIMING: 997400 CPU: 2972.07, 0.0029878/step Wall: 2972.07, 0.0029878/step, 3.32194 hours remaining, 207.222656 MB of memory in use. ENERGY: 997400 763.1477 2125.3617 1917.8976 109.3368 -206522.2910 17706.9268 0.0000 0.0000 34328.7709 -149570.8495 299.8017 -183899.6204 -149472.3791 298.0326 -161.0486 -131.0062 557587.7269 6.4359 6.3432 PRESSURE: 997600 22.0374 -119.187 71.5173 -119.187 166.432 -79.9913 71.5175 -79.9913 -117.804 GPRESSURE: 997600 60.6791 -47.1003 121.749 -128.062 162.21 -116.427 -13.1427 -116.666 -58.0078 PRESSAVG: 997600 -60.6951 8.94426 -60.2444 8.94438 39.3478 7.05137 -60.2444 7.05135 10.7977 GPRESSAVG: 997600 -61.6507 9.74216 -59.8011 7.89717 38.1796 7.22201 -60.1691 5.91991 12.9984 TIMING: 997600 CPU: 2972.66, 0.00297371/step Wall: 2972.66, 0.00297371/step, 3.30611 hours remaining, 207.222656 MB of memory in use. ENERGY: 997600 750.8974 2070.1152 1907.6522 102.0858 -206700.5084 18030.9921 0.0000 0.0000 33999.6467 -149839.1191 296.9274 -183838.7658 -149739.1304 298.3049 23.5550 54.9605 557703.1035 -3.5165 -3.4909 PRESSURE: 997800 -293.359 -75.8287 -177.572 -75.8291 -159.738 -64.3922 -177.572 -64.3919 -193.96 GPRESSURE: 997800 -245.767 93.6442 -108.488 -187.244 -100.052 -12.0626 -251.489 -69.0509 -198.606 PRESSAVG: 997800 -47.852 -4.28578 -21.3977 -4.28584 -4.77726 -17.6128 -21.3976 -17.6129 30.3332 GPRESSAVG: 997800 -47.1333 -4.56319 -21.0516 -4.66109 -3.88403 -18.3321 -21.5978 -15.8087 28.6833 TIMING: 997800 CPU: 2973.26, 0.00297566/step Wall: 2973.26, 0.00297566/step, 3.3081 hours remaining, 207.222656 MB of memory in use. ENERGY: 997800 742.3292 2051.6579 1932.9621 109.5599 -206440.0691 17531.8362 0.0000 0.0000 34254.1433 -149817.5805 299.1500 -184071.7238 -149721.6418 298.5829 -215.6857 -181.4749 556588.1060 -7.4320 -7.4447 PRESSURE: 998000 -46.1862 -30.4309 76.0698 -30.4307 -53.3418 -156.258 76.0705 -156.258 -163.012 GPRESSURE: 998000 -27.5809 55.6434 66.8473 -98.7982 32.7814 -146.428 32.3503 -89.7551 -165.823 PRESSAVG: 998000 -19.865 -2.44284 -44.5617 -2.44286 5.58388 -39.2268 -44.5617 -39.2268 12.723 GPRESSAVG: 998000 -18.4683 -2.89571 -45.3266 -1.51961 4.7048 -39.0312 -45.5456 -40.4381 11.7471 TIMING: 998000 CPU: 2973.86, 0.002985/step Wall: 2973.86, 0.002985/step, 3.31833 hours remaining, 207.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 998000 727.8808 2083.8171 1927.7156 101.4571 -206511.5669 17888.4496 0.0000 0.0000 34068.6107 -149713.6360 297.5297 -183782.2468 -149615.3642 298.0134 -87.5132 -53.5408 558795.4475 -0.5194 -0.6721 PRESSURE: 998200 105.49 71.8691 -51.2423 71.8708 191.821 -82.9791 -51.2417 -82.9791 68.4492 GPRESSURE: 998200 193.785 173.062 -63.2395 -37.4697 184.147 -84.5486 -34.8107 -97.7369 87.7097 PRESSAVG: 998200 -5.8295 -11.2902 -5.55909 -11.2901 65.3253 -11.9639 -5.55892 -11.964 -51.9055 GPRESSAVG: 998200 -8.36835 -11.8617 -7.16532 -11.6376 67.4471 -12.8719 -4.08466 -10.4337 -51.7522 TIMING: 998200 CPU: 2974.45, 0.00297281/step Wall: 2974.45, 0.00297281/step, 3.30461 hours remaining, 207.222656 MB of memory in use. ENERGY: 998200 697.1523 2131.0509 1909.1245 108.9998 -206709.3809 18028.8990 0.0000 0.0000 34286.7371 -149547.4173 299.4346 -183834.1544 -149448.6550 298.4142 121.9201 155.2137 555723.2493 2.5301 2.4422 PRESSURE: 998400 24.8187 46.9723 -91.7152 46.9706 -237.374 -61.7804 -91.7172 -61.7808 129.066 GPRESSURE: 998400 70.9635 -37.1911 -77.7713 39.2496 -203.311 -132.764 -28.1769 45.5997 144.431 PRESSAVG: 998400 -58.6776 -32.7094 18.6924 -32.7092 66.0435 -17.6739 18.6924 -17.6738 -39.3209 GPRESSAVG: 998400 -56.9454 -32.8527 17.8608 -33.3731 65.0698 -17.5022 21.4178 -18.0815 -40.0525 TIMING: 998400 CPU: 2975.05, 0.00297488/step Wall: 2975.05, 0.00297488/step, 3.30674 hours remaining, 207.222656 MB of memory in use. ENERGY: 998400 738.2256 2099.4862 1948.2612 113.7719 -206109.0172 17742.7134 0.0000 0.0000 34218.4238 -149248.1352 298.8380 -183466.5590 -149150.1082 298.9645 -27.8297 4.0277 556637.3456 -10.6517 -10.6427 PRESSURE: 998600 -275.924 -28.1124 78.9793 -28.1128 -75.8528 91.1661 78.9792 91.1641 -192.643 GPRESSURE: 998600 -205.516 6.22076 21.0179 -86.975 -109.634 73.2707 76.3662 119.769 -137.519 PRESSAVG: 998600 -24.3753 32.604 98.7165 32.6041 78.8511 12.216 98.7166 12.216 -38.2271 GPRESSAVG: 998600 -24.8821 32.2439 100.369 35.1902 76.742 12.1557 96.8794 13.6125 -35.7678 TIMING: 998600 CPU: 2975.64, 0.00297716/step Wall: 2975.64, 0.00297716/step, 3.30911 hours remaining, 207.222656 MB of memory in use. ENERGY: 998600 737.5409 2133.5918 1923.5568 110.9712 -205583.2537 17328.1550 0.0000 0.0000 34154.0795 -149195.3585 298.2761 -183349.4380 -149099.5329 299.0563 -181.4734 -150.8897 557293.3955 5.4162 5.3641 PRESSURE: 998800 -14.6674 -33.5072 216.844 -33.5067 292.316 -67.073 216.844 -67.072 -118.817 GPRESSURE: 998800 67.3162 -38.4113 160.312 36.7545 313.471 -104.206 212.063 -76.2978 -121.56 PRESSAVG: 998800 -32.5283 1.49316 2.33217 1.49312 31.0486 15.587 2.33212 15.5871 -31.6701 GPRESSAVG: 998800 -31.9459 2.90066 3.47661 0.494125 32.1165 17.5854 0.00555395 12.7775 -33.1418 TIMING: 998800 CPU: 2976.23, 0.00294909/step Wall: 2976.23, 0.00294909/step, 3.27775 hours remaining, 207.222656 MB of memory in use. ENERGY: 998800 783.8152 2038.7404 1970.7561 99.8066 -206070.9831 17715.1200 0.0000 0.0000 34212.8232 -149249.9216 298.7891 -183462.7448 -149162.0749 300.0940 52.9440 86.4093 556428.8229 -11.0499 -10.9904 PRESSURE: 999000 357.988 17.2268 -129.058 17.2268 -2.11588 -142.408 -129.058 -142.409 93.6249 GPRESSURE: 999000 395.817 78.9164 -94.5492 11.9441 18.2031 -135.553 -160.903 -131.189 129.323 PRESSAVG: 999000 -5.31464 -14.5091 -3.23323 -14.509 31.488 -1.2194 -3.23326 -1.21939 8.77018 GPRESSAVG: 999000 -5.3835 -16.3749 -4.56446 -14.9086 31.8292 -1.68471 -0.490274 -0.306128 8.66421 TIMING: 999000 CPU: 2976.82, 0.00295463/step Wall: 2976.82, 0.00295463/step, 3.28375 hours remaining, 207.222656 MB of memory in use. ENERGY: 999000 741.7788 2078.9169 1947.0046 129.5627 -206103.4781 17949.2608 0.0000 0.0000 34114.2528 -149142.7013 297.9283 -183256.9542 -149044.6857 299.5762 149.8324 181.1142 555477.0348 11.6479 11.7033 PRESSURE: 999200 -123.027 -94.5607 161.551 -94.561 -246.295 39.1619 161.55 39.1609 -195.199 GPRESSURE: 999200 -130.568 -155 133.341 -100.987 -182.744 15.256 113.344 -24.3156 -153.907 PRESSAVG: 999200 35.1113 -0.948856 -8.78518 -0.948805 -60.1273 10.2645 -8.78528 10.2645 -19.4426 GPRESSAVG: 999200 33.0254 -0.367321 -9.96215 -0.0204615 -59.5865 11.3152 -7.79675 9.07656 -18.3736 TIMING: 999200 CPU: 2977.42, 0.00297989/step Wall: 2977.42, 0.00297989/step, 3.31165 hours remaining, 207.222656 MB of memory in use. ENERGY: 999200 737.2247 2115.6414 1940.5017 117.4219 -205987.3965 17456.6449 0.0000 0.0000 34524.6526 -149095.3093 301.5124 -183619.9619 -148997.3425 299.9938 -188.1736 -155.7397 557401.5077 -14.8195 -14.9782 PRESSURE: 999400 -124.484 -56.0321 -60.6153 -56.0325 -28.6117 -37.0662 -60.6146 -37.0658 -167.775 GPRESSURE: 999400 -143.691 -48.1441 23.7288 -52.8143 9.32178 -28.6633 -66.2769 -44.899 -102.164 PRESSAVG: 999400 32.1858 -16.6387 -0.744223 -16.6388 28.1595 -12.0399 -0.744255 -12.04 -86.8991 GPRESSAVG: 999400 33.6816 -16.2712 -0.543127 -18.2386 28.0908 -14.5755 -2.4118 -12.3603 -88.0939 TIMING: 999400 CPU: 2978.01, 0.00295653/step Wall: 2978.01, 0.00295653/step, 3.28553 hours remaining, 207.222656 MB of memory in use. ENERGY: 999400 769.9468 2080.8089 1944.5437 104.7570 -206061.9818 17691.4130 0.0000 0.0000 34354.5705 -149115.9419 300.0270 -183470.5124 -149015.9685 300.1513 -106.9571 -78.8446 556980.6368 -8.8513 -8.7738 PRESSURE: 999600 -33.6982 2.4863 55.1561 2.48595 -453.649 -149.559 55.1553 -149.558 -214.766 GPRESSURE: 999600 -0.950326 -34.2633 107.375 26.2353 -442.915 -107.596 36.0185 -142.296 -159.331 PRESSAVG: 999600 50.7272 -2.99549 22.6274 -2.99547 -29.1333 -68.4082 22.6275 -68.4083 -15.6008 GPRESSAVG: 999600 50.7845 -3.48401 21.7825 -0.849616 -29.5448 -67.0195 22.5684 -65.2924 -15.195 TIMING: 999600 CPU: 2978.61, 0.00298177/step Wall: 2978.61, 0.00298177/step, 3.31341 hours remaining, 207.222656 MB of memory in use. ENERGY: 999600 755.1364 2048.6612 1942.4406 120.4287 -205654.6891 17436.7064 0.0000 0.0000 34417.0493 -148934.2666 300.5727 -183351.3159 -148843.2334 300.3234 -234.0379 -201.0655 557630.4887 1.9977 2.0149 PRESSURE: 999800 -37.0704 63.2304 -13.3852 63.2292 -77.453 -41.589 -13.383 -41.5894 53.2806 GPRESSURE: 999800 23.0302 21.4681 -24.7005 34.4225 38.361 -27.5852 -4.66761 -28.0951 -23.6775 PRESSAVG: 999800 26.4544 -23.2042 -34.1093 -23.2043 42.5496 -88.569 -34.1093 -88.5691 -35.8304 GPRESSAVG: 999800 26.6506 -20.9736 -32.1673 -23.6853 43.2416 -88.4501 -33.9034 -92.0811 -36.7376 TIMING: 999800 CPU: 2979.2, 0.00295403/step Wall: 2979.2, 0.00295403/step, 3.28242 hours remaining, 207.222656 MB of memory in use. ENERGY: 999800 698.3305 2086.2654 1949.0968 109.5133 -206420.0660 17918.5057 0.0000 0.0000 34385.6097 -149272.7447 300.2981 -183658.3544 -149176.9752 300.2938 -20.4143 12.5712 557761.0914 11.0579 11.0515 PRESSURE: 1000000 -250.876 100.081 -11.5828 100.081 -151.199 -127.182 -11.5834 -127.183 -137.671 GPRESSURE: 1000000 -181.263 44.2876 34.7757 72.4557 -144.674 -71.5514 9.05403 -49.9331 -118.349 PRESSAVG: 1000000 8.98987 -17.8767 -25.1402 -17.8766 10.119 -13.1396 -25.1404 -13.1395 -35.9868 GPRESSAVG: 1000000 8.8241 -18.5722 -25.3286 -17.4677 9.15882 -13.4515 -23.907 -12.0613 -34.9856 TIMING: 1000000 CPU: 2979.78, 0.00293871/step Wall: 2979.78, 0.00293871/step, 3.26523 hours remaining, 207.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1000000 727.2440 2090.5478 1944.1850 100.7420 -205902.9842 17564.2546 0.0000 0.0000 34261.1800 -149214.8308 299.2114 -183476.0108 -149125.5529 300.1139 -179.9153 -148.0954 558808.0931 -5.6260 -5.6676 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1000000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 1000000 WRITING COORDINATES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART COORDINATES The last position output (seq=1000000) takes 0.010 seconds, 207.223 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1000200 2.63297 68.0807 -43.9064 68.0809 -51.4741 -220.296 -43.9066 -220.297 -33.9881 GPRESSURE: 1000200 22.0928 -48.6165 -44.4596 83.8724 -17.5664 -240.982 -124.239 -154.517 14.8631 PRESSAVG: 1000200 -19.7085 -27.6622 -1.87976 -27.6622 70.2557 4.67634 -1.87982 4.67635 -39.9035 GPRESSAVG: 1000200 -19.6008 -26.7849 -1.26762 -28.3213 70.9744 4.31748 -4.67274 4.86946 -39.9299 TIMING: 1000200 CPU: 2980.4, 0.00307566/step Wall: 2980.4, 0.00307566/step, 3.41723 hours remaining, 207.347656 MB of memory in use. ENERGY: 1000200 712.2562 1994.9540 1910.9743 109.2451 -206285.1518 17841.1588 0.0000 0.0000 34439.3581 -149277.2052 300.7675 -183716.5633 -149184.7599 299.4063 -27.6097 6.4631 558591.3405 3.5479 3.8146 LDB: ============= START OF LOAD BALANCING ============== 2983.95 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2983.95 LDB: =============== DONE WITH MIGRATION ================ 2983.95 LDB: ============= START OF LOAD BALANCING ============== 2984.25 LDB: Largest compute 4773 load 0.028217 is 23.9% of average load 0.118129 LDB: Average compute 0.001722 is 1.5% of average load 0.118129 LDB: TIME 2984.25 LOAD: AVG 0.118129 MAX 0.210887 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.992 MB LDB: TIME 2984.25 LOAD: AVG 0.118129 MAX 0.210887 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.125 MB LDB: TIME 2984.25 LOAD: AVG 0.118129 MAX 0.210887 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.125 MB LDB: ============== END OF LOAD BALANCING =============== 2984.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2984.26 PRESSURE: 1000400 -103.527 -26.9041 20.025 -26.9047 62.2645 100.234 20.0254 100.235 45.2262 GPRESSURE: 1000400 -89.5507 88.6858 -11.1234 -112.973 106.653 71.2805 -17.3151 64.9633 73.0483 PRESSAVG: 1000400 6.73589 -50.9356 -73.9169 -50.9357 -53.8121 30.8645 -73.9168 30.8645 23.6389 GPRESSAVG: 1000400 6.85794 -51.6223 -73.8572 -52.1079 -53.5271 29.4234 -71.4995 30.5798 22.5546 TIMING: 1000400 CPU: 2981.01, 0.00304789/step Wall: 2981.01, 0.00304789/step, 3.3862 hours remaining, 206.507812 MB of memory in use. ENERGY: 1000400 705.1376 2097.5575 1909.9905 106.0289 -205985.7926 17627.8406 0.0000 0.0000 34142.2615 -149396.9759 298.1729 -183539.2374 -149305.7854 298.8541 1.3214 30.0501 557066.9516 -7.8124 -8.0382 PRESSURE: 1000600 -106.569 -79.9773 120.715 -79.9775 -88.257 -24.613 120.715 -24.613 -222.068 GPRESSURE: 1000600 -26.1824 -119.005 105.491 -49.9854 -76.5661 54.7706 138.606 45.8218 -215.012 PRESSAVG: 1000600 -26.7563 -83.4373 -32.7656 -83.4373 72.6593 11.0211 -32.7656 11.0211 -39.5923 GPRESSAVG: 1000600 -26.9091 -84.614 -33.2467 -83.0148 71.7377 12.0548 -33.0334 12.2695 -38.2733 TIMING: 1000600 CPU: 2981.61, 0.00299532/step Wall: 2981.61, 0.00299532/step, 3.32763 hours remaining, 206.507812 MB of memory in use. ENERGY: 1000600 703.1464 2067.7221 1946.0801 119.0380 -206147.2971 17824.9447 0.0000 0.0000 34204.9065 -149281.4593 298.7200 -183486.3658 -149185.0965 298.5824 -138.9648 -105.9201 559966.8724 2.1036 2.1851 PRESSURE: 1000800 -23.5548 12.3441 -117.476 12.3447 -18.6687 -50.3909 -117.476 -50.3917 66.0515 GPRESSURE: 1000800 -50.9795 14.8171 -204.731 -34.4227 55.4968 -62.4826 -103.964 -76.2018 120.291 PRESSAVG: 1000800 -71.7769 -27.1997 -30.8076 -27.1997 22.4623 -13.9428 -30.8075 -13.9429 36.5892 GPRESSAVG: 1000800 -71.5598 -25.1192 -32.0312 -26.4948 22.8947 -13.2868 -28.1623 -14.0304 36.0071 TIMING: 1000800 CPU: 2982.21, 0.00298505/step Wall: 2982.21, 0.00298505/step, 3.31605 hours remaining, 206.507812 MB of memory in use. ENERGY: 1000800 732.5997 2027.4053 1954.3770 125.2668 -206057.0072 17744.7129 0.0000 0.0000 34201.5827 -149271.0627 298.6909 -183472.6454 -149174.8895 299.1891 7.9427 41.6027 557203.8656 -4.2418 -4.2193 PRESSURE: 1001000 -217.532 106.372 -158.073 106.373 -185.005 -114.458 -158.072 -114.459 -275.876 GPRESSURE: 1001000 -178.463 1.49162 -200.214 149.254 -128.241 -77.6152 -150.652 -63.7564 -280.425 PRESSAVG: 1001000 4.91683 -41.6298 -17.6189 -41.6297 33.8389 48.2376 -17.6189 48.2375 -23.682 GPRESSAVG: 1001000 3.06995 -42.0526 -15.9767 -41.4002 35.1106 47.2998 -20.1738 48.3295 -22.7049 TIMING: 1001000 CPU: 2982.8, 0.00297511/step Wall: 2982.8, 0.00297511/step, 3.30485 hours remaining, 206.507812 MB of memory in use. ENERGY: 1001000 740.6939 2110.9878 1931.2566 101.6052 -205556.4796 17375.1671 0.0000 0.0000 34256.1925 -149040.5764 299.1678 -183296.7689 -148941.4521 299.5385 -226.1376 -195.7100 559089.7042 5.0246 5.1585 PRESSURE: 1001200 -34.0468 -39.8127 25.0537 -39.8128 -173.585 144.08 25.0527 144.079 208.795 GPRESSURE: 1001200 37.6139 -88.7792 73.6467 -128.412 -213.623 165.544 126.064 124.45 282.144 PRESSAVG: 1001200 -21.845 -7.25713 -32.3337 -7.25712 -9.20371 29.3647 -32.3336 29.3647 6.47868 GPRESSAVG: 1001200 -19.5745 -8.08249 -31.9456 -8.33146 -10.8738 28.9265 -32.7472 29.3599 5.88282 TIMING: 1001200 CPU: 2983.4, 0.00298498/step Wall: 2983.4, 0.00298498/step, 3.31565 hours remaining, 206.507812 MB of memory in use. ENERGY: 1001200 768.3962 2085.8191 1967.5617 122.0288 -205690.3033 17640.1588 0.0000 0.0000 34063.8231 -149042.5157 297.4878 -183106.3388 -148953.5781 299.7539 0.3875 35.3784 557362.2860 -8.1900 -8.1885 PRESSURE: 1001400 63.1484 -158.87 117.584 -158.872 -120.575 7.72808 117.584 7.72838 -107.351 GPRESSURE: 1001400 121.998 -209.717 144.1 -47.6641 -69.5207 -6.65644 98.7942 83.5528 -128.219 PRESSAVG: 1001400 36.368 -21.8261 29.5132 -21.826 22.2519 10.5373 29.5132 10.5373 -36.3191 GPRESSAVG: 1001400 34.527 -19.7203 30.3967 -20.3223 22.6988 13.4352 29.6316 11.1132 -35.4002 TIMING: 1001400 CPU: 2984, 0.00299392/step Wall: 2984, 0.00299392/step, 3.32542 hours remaining, 206.507812 MB of memory in use. ENERGY: 1001400 774.4081 2036.3098 1949.0814 105.2254 -206100.6189 17798.0048 0.0000 0.0000 34304.5989 -149132.9905 299.5906 -183437.5894 -149033.1728 299.2346 -54.9258 -25.2471 558082.6507 7.4336 7.2752 PRESSURE: 1001600 54.9575 -103.005 3.92493 -103.007 -88.4818 30.8431 3.92466 30.8417 -229.861 GPRESSURE: 1001600 80.3954 -185.107 67.3602 -85.0826 -34.637 102.07 11.6319 17.0117 -206.174 PRESSAVG: 1001600 19.4032 -28.7219 -21.567 -28.7219 -7.11469 -8.11572 -21.5671 -8.11573 -60.1508 GPRESSAVG: 1001600 21.2391 -29.1666 -24.6804 -28.9816 -7.62547 -8.68362 -19.4594 -9.14539 -61.2367 TIMING: 1001600 CPU: 2984.59, 0.0029568/step Wall: 2984.59, 0.0029568/step, 3.28402 hours remaining, 206.507812 MB of memory in use. ENERGY: 1001600 752.7956 2096.8168 1966.6764 94.2872 -205918.4028 17720.4174 0.0000 0.0000 34187.6030 -149099.8065 298.5688 -183287.4095 -149006.5512 299.2769 -87.7951 -53.4718 558365.2042 -15.9541 -15.8744 PRESSURE: 1001800 361.114 48.9067 -107.651 48.9057 280.709 67.5759 -107.652 67.5761 -66.1821 GPRESSURE: 1001800 387.823 40.5563 -86.5826 42.4169 282.937 23.5448 -80.7421 33.3454 1.82667 PRESSAVG: 1001800 -14.4064 -15.8754 -9.45949 -15.8754 34.5585 69.0367 -9.45948 69.0367 -41.4498 GPRESSAVG: 1001800 -15.8328 -16.1155 -6.46333 -15.7268 35.513 67.0525 -11.7728 68.8846 -41.3291 TIMING: 1001800 CPU: 2985.18, 0.00297097/step Wall: 2985.18, 0.00297097/step, 3.29959 hours remaining, 206.507812 MB of memory in use. ENERGY: 1001800 721.6383 2111.0400 1940.6426 109.4087 -206694.0799 18304.5309 0.0000 0.0000 34447.8596 -149058.9598 300.8417 -183506.8194 -148964.4722 300.3740 191.8802 224.1956 557938.5697 -7.0992 -7.2163 PRESSURE: 1002000 -278.447 -119.736 -54.6217 -119.736 243.716 75.8842 -54.6211 75.8845 179.615 GPRESSURE: 1002000 -240.421 -80.8484 -105.78 -109.675 294.208 67.0789 21.3166 83.0352 184.272 PRESSAVG: 1002000 0.0528115 -27.5563 10.3701 -27.5562 7.72388 -2.38357 10.37 -2.38363 -53.5323 GPRESSAVG: 1002000 0.335451 -28.1708 10.576 -27.0053 8.02492 -1.26864 11.3076 -3.0998 -53.9086 TIMING: 1002000 CPU: 2985.78, 0.00299562/step Wall: 2985.78, 0.00299562/step, 3.3268 hours remaining, 206.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1002000 738.1129 2092.6182 1946.4086 118.3106 -206293.7396 17816.6361 0.0000 0.0000 34277.0607 -149304.5926 299.3501 -183581.6534 -149208.8941 299.6914 48.2943 79.3529 557721.8818 -15.2519 -15.1827 PRESSURE: 1002200 12.2195 22.4171 -114.905 22.4189 -43.6654 -0.809747 -114.904 -0.808674 -236.566 GPRESSURE: 1002200 59.1814 -4.34738 -130.466 10.343 -61.176 36.1353 -46.0128 -41.0947 -180.923 PRESSAVG: 1002200 3.46574 -60.7935 -14.218 -60.7934 -43.4289 -11.8721 -14.2179 -11.8723 24.3742 GPRESSAVG: 1002200 2.55273 -60.1368 -15.7448 -62.8852 -44.9418 -11.5557 -14.1111 -10.2799 26.6776 TIMING: 1002200 CPU: 2986.37, 0.00294506/step Wall: 2986.37, 0.00294506/step, 3.27049 hours remaining, 206.507812 MB of memory in use. ENERGY: 1002200 753.8528 2110.7386 1930.5597 105.9218 -206250.8978 17822.4493 0.0000 0.0000 34373.2125 -149154.1631 300.1898 -183527.3757 -149064.1710 299.4930 -89.3374 -60.9727 556364.8066 -5.1963 -5.2372 PRESSURE: 1002400 208.911 -39.7883 165.092 -39.7876 179.196 98.2998 165.091 98.2988 29.544 GPRESSURE: 1002400 234.665 -41.2807 209.8 -14.752 239.658 87.5116 168.643 138.104 36.8701 PRESSAVG: 1002400 29.8244 -29.1446 -11.3713 -29.1447 -7.76293 14.1652 -11.3713 14.1652 -33.499 GPRESSAVG: 1002400 31.0403 -30.6528 -10.5787 -30.1279 -6.90745 13.9491 -13.0121 13.8951 -35.6547 TIMING: 1002400 CPU: 2986.96, 0.00294905/step Wall: 2986.96, 0.00294905/step, 3.27476 hours remaining, 206.507812 MB of memory in use. ENERGY: 1002400 725.7274 2061.6549 1960.0843 121.5252 -206164.6036 17904.3244 0.0000 0.0000 34179.7111 -149211.5763 298.4999 -183391.2874 -149117.1365 299.8050 139.2171 170.3977 557243.6341 -3.8125 -3.8406 PRESSURE: 1002600 10.3738 37.1095 39.3355 37.1108 -316.137 33.7161 39.3337 33.7166 56.3382 GPRESSURE: 1002600 65.8583 -45.8029 58.4228 33.7093 -285.98 40.2731 6.74667 31.4929 68.8542 PRESSAVG: 1002600 -37.5572 25.2402 3.39384 25.2402 -7.67654 40.2839 3.39389 40.284 33.999 GPRESSAVG: 1002600 -37.4716 25.7786 3.4385 24.9661 -7.83138 39.8818 3.94669 39.2811 34.3966 TIMING: 1002600 CPU: 2987.55, 0.00295599/step Wall: 2987.55, 0.00295599/step, 3.2823 hours remaining, 206.507812 MB of memory in use. ENERGY: 1002600 737.4511 2031.7209 1947.1428 127.6946 -206098.9275 17656.6643 0.0000 0.0000 34407.8608 -149190.3930 300.4924 -183598.2538 -149100.7963 299.3261 -83.1417 -50.4225 557336.7334 -3.7449 -3.6354 PRESSURE: 1002800 -100.33 97.8735 -125.843 97.873 -125.392 165.13 -125.844 165.129 -372.656 GPRESSURE: 1002800 -93.0941 85.6224 -42.1394 114.313 -52.4663 191.091 -146.912 91.6635 -341.627 PRESSAVG: 1002800 35.1535 12.6779 33.7355 12.678 20.9918 68.5547 33.7356 68.5547 -30.7508 GPRESSAVG: 1002800 35.779 13.7094 34.9786 13.7785 20.9584 69.3717 33.9998 68.9268 -30.7597 TIMING: 1002800 CPU: 2988.14, 0.00295658/step Wall: 2988.14, 0.00295658/step, 3.28279 hours remaining, 206.507812 MB of memory in use. ENERGY: 1002800 756.8997 2119.2965 1955.7888 99.3276 -205928.9833 17611.6387 0.0000 0.0000 34324.4886 -149061.5435 299.7643 -183386.0320 -148963.3148 299.7520 -199.4594 -162.3960 558626.2760 8.4648 8.6592 PRESSURE: 1003000 5.53509 -82.101 231.267 -82.1006 -322.899 -80.2044 231.267 -80.204 -43.7478 GPRESSURE: 1003000 -13.5537 -165.069 207.977 -66.6466 -275.123 -99.4411 248.049 -76.2453 21.8985 PRESSAVG: 1003000 72.6224 -28.8521 -26.0704 -28.8521 -28.6064 70.0576 -26.0705 70.0577 -5.25861 GPRESSAVG: 1003000 72.986 -30.157 -25.4683 -27.5046 -29.1143 69.0726 -27.4959 69.3544 -4.71798 TIMING: 1003000 CPU: 2988.74, 0.00300242/step Wall: 2988.74, 0.00300242/step, 3.33352 hours remaining, 206.507812 MB of memory in use. ENERGY: 1003000 766.3494 2072.0646 1927.7131 111.4631 -205875.7481 17658.6219 0.0000 0.0000 34182.4812 -149157.0549 298.5241 -183339.5361 -149070.7671 299.4312 -120.3707 -88.9260 559181.3585 12.9191 13.0512 PRESSURE: 1003200 -105.71 -145.134 -20.1703 -145.133 -5.21807 -112.464 -20.1714 -112.465 -139.098 GPRESSURE: 1003200 -89.836 -174 17.3467 -150.118 46.3569 -143.64 -64.6128 -87.333 -89.6544 PRESSAVG: 1003200 -63.5619 -10.9384 16.7325 -10.9384 -2.94895 25.1157 16.7324 25.1157 50.036 GPRESSAVG: 1003200 -63.9814 -10.9887 14.7105 -12.1253 -2.26636 26.1337 17.9139 22.695 50.5181 TIMING: 1003200 CPU: 2989.34, 0.00299164/step Wall: 2989.34, 0.00299164/step, 3.32139 hours remaining, 206.507812 MB of memory in use. ENERGY: 1003200 716.4878 2042.7022 1913.6426 111.6979 -206075.3758 17701.4957 0.0000 0.0000 34354.1617 -149235.1879 300.0234 -183589.3496 -149138.0011 299.1774 -83.3422 -44.3778 557514.6098 -5.4916 -5.2432 PRESSURE: 1003400 -318.103 -77.3796 18.3152 -77.3787 -174.979 -16.8007 18.3141 -16.8006 -50.5618 GPRESSURE: 1003400 -281.987 -48.0466 27.7477 -42.2006 -143.256 -121.656 -51.1217 39.8357 -10.5114 PRESSAVG: 1003400 -12.5258 -2.45039 43.297 -2.45042 11.4195 -64.7097 43.2969 -64.7096 -5.83643 GPRESSAVG: 1003400 -12.7314 -3.10771 42.4773 -3.29919 12.3065 -67.9696 43.6244 -61.0639 -6.61032 TIMING: 1003400 CPU: 2989.94, 0.00299393/step Wall: 2989.94, 0.00299393/step, 3.32376 hours remaining, 206.507812 MB of memory in use. ENERGY: 1003400 729.6485 2090.9978 1937.8943 107.8673 -205827.7453 17509.8056 0.0000 0.0000 34193.0973 -149258.4344 298.6168 -183451.5317 -149169.7317 299.5303 -181.2147 -145.2515 557894.8079 -2.3142 -2.3451 PRESSURE: 1003600 -239.976 -58.7683 -88.4208 -58.7678 -184.514 -220.319 -88.4228 -220.319 -191.173 GPRESSURE: 1003600 -226.173 -145.518 -175.101 -32.7811 -172.709 -234.846 -39.4985 -188.989 -130.29 PRESSAVG: 1003600 4.09091 -42.8921 -34.3982 -42.8921 -46.2997 -60.8302 -34.3983 -60.8302 28.3759 GPRESSAVG: 1003600 3.87209 -42.6477 -31.6923 -40.8926 -46.5796 -59.3708 -35.0229 -61.2042 28.8251 TIMING: 1003600 CPU: 2990.53, 0.0029697/step Wall: 2990.53, 0.0029697/step, 3.29669 hours remaining, 206.507812 MB of memory in use. ENERGY: 1003600 746.0993 2151.4943 1916.5761 107.4153 -205747.6506 17508.7158 0.0000 0.0000 34106.2636 -149211.0862 297.8585 -183317.3499 -149115.5173 299.5724 -205.2209 -176.3905 558297.5033 -4.6110 -4.6275 PRESSURE: 1003800 90.8787 117.492 -30.1261 117.493 0.887717 -30.7886 -30.1273 -30.7877 184.4 GPRESSURE: 1003800 108.447 108.493 24.5814 116.488 31.2063 -15.4542 -111.579 -69.6532 228.987 PRESSAVG: 1003800 21.4715 32.5967 -28.6794 32.5966 -79.7417 33.9063 -28.6795 33.9063 45.5497 GPRESSAVG: 1003800 21.8767 31.9741 -28.2143 32.7406 -79.8329 33.5178 -29.0098 33.4373 45.2879 TIMING: 1003800 CPU: 2991.13, 0.00299665/step Wall: 2991.13, 0.00299665/step, 3.32644 hours remaining, 206.507812 MB of memory in use. ENERGY: 1003800 755.5201 2081.5969 1912.9396 127.0232 -206290.8521 17983.5281 0.0000 0.0000 34156.2432 -149274.0008 298.2950 -183430.2440 -149176.9983 298.8804 92.0556 122.8801 557182.8807 -4.2402 -4.2228 PRESSURE: 1004000 -14.9993 91.7477 130.717 91.7491 1.71896 -0.401856 130.718 -0.401005 -21.6046 GPRESSURE: 1004000 -16.4879 52.1172 24.3921 104.405 34.8376 -7.37861 171.489 -20.216 44.167 PRESSAVG: 1004000 -1.9975 16.1019 24.9226 16.102 -16.0512 -22.0593 24.9226 -22.0593 13.5228 GPRESSAVG: 1004000 -1.61902 16.9374 25.7927 15.4137 -17.4007 -21.5145 23.552 -23.1847 14.4771 TIMING: 1004000 CPU: 2991.73, 0.00296436/step Wall: 2991.73, 0.00296436/step, 3.29044 hours remaining, 206.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1004000 735.2845 2107.2041 1913.5321 114.0611 -206151.1688 17785.3853 0.0000 0.0000 34320.5775 -149175.1241 299.7301 -183495.7017 -149081.0710 298.9616 -11.6283 20.8389 557277.0429 -1.5086 -1.5142 PRESSURE: 1004200 168.969 17.0016 11.1295 17.0014 31.8227 0.665788 11.1313 0.66701 89.1487 GPRESSURE: 1004200 82.1479 -55.6646 -30.0686 33.9673 98.1729 -122.479 14.0675 -20.5484 195.257 PRESSAVG: 1004200 -8.43919 35.9699 -10.7518 35.9698 -46.1917 8.11895 -10.7519 8.11897 36.5961 GPRESSAVG: 1004200 -9.1277 33.1223 -11.1895 38.4805 -45.3574 4.84304 -10.0108 11.0218 36.4113 TIMING: 1004200 CPU: 2992.32, 0.0029774/step Wall: 2992.32, 0.0029774/step, 3.30475 hours remaining, 206.507812 MB of memory in use. ENERGY: 1004200 711.3123 2090.8716 1951.6314 115.4061 -205913.8313 17704.4579 0.0000 0.0000 34259.4365 -149080.7155 299.1962 -183340.1520 -148984.6303 298.9013 96.6468 125.1925 556362.9130 -6.0116 -6.0246 LDB: ============= START OF LOAD BALANCING ============== 2995.87 LDB: ============== END OF LOAD BALANCING =============== 2995.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2995.87 LDB: ============= START OF LOAD BALANCING ============== 2996.17 LDB: Largest compute 4773 load 0.028077 is 23.8% of average load 0.118176 LDB: Average compute 0.001733 is 1.5% of average load 0.118176 LDB: TIME 2996.17 LOAD: AVG 0.118176 MAX 0.207322 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.508 MB LDB: TIME 2996.17 LOAD: AVG 0.118176 MAX 0.207322 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.508 MB LDB: TIME 2996.17 LOAD: AVG 0.118176 MAX 0.207322 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.508 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2996.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2996.18 PRESSURE: 1004400 -145.071 51.0234 -111.045 51.0226 -118.612 36.9974 -111.045 36.9982 -350.109 GPRESSURE: 1004400 -116.906 25.3139 -145.243 59.9706 -124.344 75.3015 -126.33 -8.1428 -267.246 PRESSAVG: 1004400 -13.7874 -31.4156 -41.759 -31.4156 116.653 -13.433 -41.759 -13.4329 -10.8611 GPRESSAVG: 1004400 -14.3476 -28.1976 -45.3222 -31.8878 118.025 -8.20094 -40.6812 -14.5145 -11.7477 TIMING: 1004400 CPU: 2992.93, 0.00303921/step Wall: 2992.93, 0.00303921/step, 3.37319 hours remaining, 207.585938 MB of memory in use. ENERGY: 1004400 751.3088 2027.2209 1933.0665 109.9145 -205751.6373 17361.7822 0.0000 0.0000 34454.4534 -149113.8911 300.8993 -183568.3445 -149019.5141 299.9771 -204.5972 -169.4984 557789.6957 30.6683 30.6434 PRESSURE: 1004600 -7.56901 -71.5076 9.16721 -71.5078 -153.029 -49.4581 9.16805 -49.4579 -268.964 GPRESSURE: 1004600 3.56832 -77.7107 -37.606 -140.888 -94.1154 -30.3826 39.848 -92.567 -249.645 PRESSAVG: 1004600 -16.4278 -38.3341 -14.1917 -38.3342 35.53 80.1859 -14.1918 80.186 -17.5534 GPRESSAVG: 1004600 -16.235 -40.1809 -12.3217 -38.4033 34.8667 79.1837 -14.1927 80.4898 -16.9903 TIMING: 1004600 CPU: 2993.52, 0.00294064/step Wall: 2993.52, 0.00294064/step, 3.26362 hours remaining, 207.585938 MB of memory in use. ENERGY: 1004600 709.6274 2062.7546 1913.9923 110.1737 -205926.6715 17525.0844 0.0000 0.0000 34381.2955 -149223.7437 300.2604 -183605.0391 -149121.7664 299.2877 -143.1872 -113.3972 558467.9699 0.5163 0.5471 PRESSURE: 1004800 26.4116 -189.803 51.3242 -189.803 -142.711 -33.6942 51.3244 -33.6935 56.2801 GPRESSURE: 1004800 50.1289 -211.626 59.3837 -169.193 -66.5896 -60.4518 11.6711 -25.222 52.1943 PRESSAVG: 1004800 12.241 -35.3216 -26.359 -35.3216 -9.88145 33.1505 -26.359 33.1505 -0.931085 GPRESSAVG: 1004800 12.4017 -36.7351 -24.9302 -35.3994 -10.5447 31.983 -27.7048 32.3861 -0.0264302 TIMING: 1004800 CPU: 2994.11, 0.00294135/step Wall: 2994.11, 0.00294135/step, 3.26425 hours remaining, 207.585938 MB of memory in use. ENERGY: 1004800 734.5988 2034.9738 1932.0932 107.3050 -206353.9712 17790.8912 0.0000 0.0000 34458.8589 -149295.2502 300.9378 -183754.1091 -149193.9072 299.1439 -20.0064 11.9112 557408.9006 0.4762 0.6102 PRESSURE: 1005000 35.323 87.9886 107.676 87.9871 -217.462 -77.0456 107.676 -77.0453 -57.8637 GPRESSURE: 1005000 37.9206 126.603 61.5301 59.3445 -164.892 -52.6527 98.5635 -69.7996 -12.9239 PRESSAVG: 1005000 32.9054 -18.2676 -56.2091 -18.2677 -15.6213 43.2757 -56.2091 43.2758 -13.4312 GPRESSAVG: 1005000 31.8818 -15.3413 -56.7455 -20.7055 -15.5682 42.9644 -56.593 42.5855 -12.6594 TIMING: 1005000 CPU: 2994.69, 0.00292336/step Wall: 2994.69, 0.00292336/step, 3.24411 hours remaining, 207.585938 MB of memory in use. ENERGY: 1005000 727.3953 2119.6260 1934.3530 111.5691 -206118.8215 17647.1103 0.0000 0.0000 34157.7352 -149421.0326 298.3080 -183578.7678 -149332.4790 298.8901 -80.0009 -46.6318 558199.8363 1.2843 1.2181 PRESSURE: 1005200 57.1428 -182.746 -30.634 -182.746 -47.9361 -59.9759 -30.6337 -59.9774 -131.056 GPRESSURE: 1005200 65.8708 -157.713 -69.0551 -255.257 12.8973 -67.0957 43.9589 -130.293 -106.941 PRESSAVG: 1005200 -26.932 -21.6687 -5.60615 -21.6687 27.9702 10.2257 -5.60617 10.2256 0.545899 GPRESSAVG: 1005200 -26.9898 -23.0819 -9.04574 -21.7352 27.5348 9.7666 -4.5285 12.9207 0.926733 TIMING: 1005200 CPU: 2995.28, 0.00294961/step Wall: 2995.28, 0.00294961/step, 3.27309 hours remaining, 207.585938 MB of memory in use. ENERGY: 1005200 715.6691 2124.2355 1941.8751 117.0536 -206509.2979 17747.3152 0.0000 0.0000 34423.6412 -149439.5082 300.6302 -183863.1494 -149343.3945 299.1731 -40.6163 -9.3910 556899.4480 0.5280 0.4906 PRESSURE: 1005400 -296.02 -23.8691 38.9178 -23.8694 248.011 -92.6593 38.9187 -92.6598 50.0119 GPRESSURE: 1005400 -238.011 -46.0342 60.0148 37.2722 256.545 -42.4885 42.1331 -144.176 101.052 PRESSAVG: 1005400 18.0223 -5.00336 6.60929 -5.00332 25.5788 16.0085 6.6093 16.0084 -45.6323 GPRESSAVG: 1005400 18.4046 -3.78845 8.80315 -4.11788 26.1064 18.3414 5.43796 13.163 -45.9929 TIMING: 1005400 CPU: 2995.88, 0.00297361/step Wall: 2995.88, 0.00297361/step, 3.29956 hours remaining, 207.585938 MB of memory in use. ENERGY: 1005400 707.2206 2137.7594 1945.6923 108.1006 -206377.4744 17798.8025 0.0000 0.0000 34274.4330 -149405.4660 299.3271 -183679.8990 -149307.8868 298.9749 0.6678 39.8623 556098.8292 -0.6771 -0.4940 PRESSURE: 1005600 57.4956 246.367 -161.674 246.366 113.715 -29.233 -161.675 -29.2308 155.022 GPRESSURE: 1005600 94.4159 301.267 -202.074 160.149 126.282 -59.5331 -81.6023 24.8865 207.052 PRESSAVG: 1005600 -90.6077 7.49062 2.6929 7.49066 39.0287 -20.738 2.69283 -20.7379 15.2214 GPRESSAVG: 1005600 -89.185 7.49952 2.52176 6.19196 37.7869 -19.5842 3.81413 -22.4331 15.0173 TIMING: 1005600 CPU: 2996.47, 0.00299415/step Wall: 2996.47, 0.00299415/step, 3.32218 hours remaining, 207.585938 MB of memory in use. ENERGY: 1005600 755.5928 2063.6283 1924.6195 110.7336 -206491.5549 17957.3140 0.0000 0.0000 34387.1711 -149292.4956 300.3117 -183679.6667 -149194.8707 299.3672 108.7441 142.5833 555399.4023 -12.1192 -12.1269 PRESSURE: 1005800 17.6291 85.5331 -189.714 85.5322 -212.155 -119.472 -189.714 -119.472 -99.4283 GPRESSURE: 1005800 34.6049 -16.6271 -187.45 100.211 -172.315 -200.089 -206.478 -75.0656 -58.0819 PRESSAVG: 1005800 8.57975 18.1294 -3.12482 18.1294 7.21507 -29.0751 -3.12482 -29.0751 -7.4522 GPRESSAVG: 1005800 8.69906 18.2752 0.388611 16.5004 7.77536 -31.4707 -4.50184 -26.5452 -7.64674 TIMING: 1005800 CPU: 2997.07, 0.00295716/step Wall: 2997.07, 0.00295716/step, 3.28097 hours remaining, 207.585938 MB of memory in use. ENERGY: 1005800 759.9049 2130.3899 1973.6396 116.6162 -206456.9980 17924.1912 0.0000 0.0000 34183.7506 -149368.5057 298.5352 -183552.2562 -149279.8471 299.1315 -97.9846 -65.2641 556730.3960 2.7809 2.9426 PRESSURE: 1006000 4.57463 25.4117 -201.294 25.4119 17.6792 -13.0588 -201.295 -13.0603 156.81 GPRESSURE: 1006000 46.684 8.87254 -194.873 72.0016 21.4071 -39.2497 -62.0596 -71.6268 213.383 PRESSAVG: 1006000 -7.97276 28.7013 -34.7189 28.7013 0.642491 -32.7022 -34.7189 -32.7022 0.461105 GPRESSAVG: 1006000 -8.8667 29.9282 -37.31 30.2372 0.8577 -31.382 -33.8017 -34.4122 0.97555 TIMING: 1006000 CPU: 2997.66, 0.00298591/step Wall: 2997.66, 0.00298591/step, 3.3127 hours remaining, 207.585938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1006000 768.0666 2100.4389 1965.6459 119.5223 -206487.5058 18059.1627 0.0000 0.0000 34284.4469 -149190.2225 299.4146 -183474.6693 -149095.2618 298.7007 59.6881 93.8247 556820.2650 -2.2897 -2.3445 PRESSURE: 1006200 -16.7627 23.8016 -26.9515 23.8011 -209.855 -143.922 -26.9524 -143.924 -356.57 GPRESSURE: 1006200 21.1588 -18.0517 0.159849 87.188 -204.15 -186.57 -18.2588 -126.629 -304.337 PRESSAVG: 1006200 63.1867 -17.1247 41.2193 -17.1247 0.17158 -24.917 41.2193 -24.9171 -12.5997 GPRESSAVG: 1006200 63.5529 -18.6073 40.6087 -16.0135 1.05192 -26.4187 42.0136 -22.5929 -13.6975 TIMING: 1006200 CPU: 2998.25, 0.00295832/step Wall: 2998.25, 0.00295832/step, 3.28193 hours remaining, 207.585938 MB of memory in use. ENERGY: 1006200 757.0227 2076.9120 1957.9041 115.0321 -206218.9341 17651.4496 0.0000 0.0000 34347.8639 -149312.7498 299.9684 -183660.6137 -149209.7860 298.9772 -194.3958 -162.4429 557345.6685 16.9195 16.9691 PRESSURE: 1006400 -62.6912 -96.8515 -52.355 -96.8521 -99.7801 -29.3165 -52.3537 -29.3156 42.1741 GPRESSURE: 1006400 -9.16536 -56.6528 -88.7065 -86.9398 -120.724 -34.7643 0.222041 -67.9869 97.3304 PRESSAVG: 1006400 19.9963 -8.70209 30.3838 -8.7021 -35.3745 5.90426 30.3838 5.90418 39.8768 GPRESSAVG: 1006400 20.5715 -7.09817 31.2646 -9.34041 -36.1203 5.09259 30.483 6.65624 39.8363 TIMING: 1006400 CPU: 2998.84, 0.00294999/step Wall: 2998.84, 0.00294999/step, 3.27252 hours remaining, 207.585938 MB of memory in use. ENERGY: 1006400 740.7079 2067.2483 1936.1850 114.1072 -205989.2261 17590.7098 0.0000 0.0000 34183.9220 -149356.3460 298.5367 -183540.2679 -149262.6798 298.3836 -40.0991 -10.8530 557423.8362 8.1662 8.0958 PRESSURE: 1006600 -10.3821 197.906 12.7946 197.907 350.032 225.536 12.795 225.536 -100.319 GPRESSURE: 1006600 60.2425 182.859 8.51534 134.49 371.003 223.194 -1.0182 267.097 -87.521 PRESSAVG: 1006600 -17.2658 -49.0227 3.30289 -49.0227 -22.1349 4.08918 3.30293 4.08914 4.95154 GPRESSAVG: 1006600 -16.6321 -47.5663 4.44697 -50.7813 -21.8341 4.11655 2.91773 2.618 4.45189 TIMING: 1006600 CPU: 2999.44, 0.00296665/step Wall: 2999.44, 0.00296666/step, 3.29084 hours remaining, 207.585938 MB of memory in use. ENERGY: 1006600 758.8951 2071.9313 1939.0314 107.8340 -206381.0400 17920.0358 0.0000 0.0000 34196.6890 -149386.6234 298.6482 -183583.3124 -149287.9928 299.1262 79.7769 114.5748 556052.5365 -11.4831 -11.3381 PRESSURE: 1006800 293.855 65.2214 -73.5031 65.2211 350.298 -106.09 -73.5028 -106.091 101.978 GPRESSURE: 1006800 295.474 68.9564 -96.819 81.292 387.235 -37.2954 -60.3869 -120.328 173.268 PRESSAVG: 1006800 6.06091 1.59767 13.5524 1.59767 78.4132 75.5964 13.5524 75.5963 -62.8088 GPRESSAVG: 1006800 5.24862 -1.74323 13.2891 3.689 77.8124 77.7698 13.4175 74.5692 -61.4157 TIMING: 1006800 CPU: 3000.03, 0.0029404/step Wall: 3000.03, 0.0029404/step, 3.26156 hours remaining, 207.789062 MB of memory in use. ENERGY: 1006800 780.1216 2063.5550 1966.3384 119.4686 -206729.5165 18236.5539 0.0000 0.0000 34109.2546 -149454.2243 297.8846 -183563.4790 -149362.7654 298.7969 248.7104 285.3259 554590.9040 7.2218 7.2151 PRESSURE: 1007000 -4.43526 -12.1395 48.4009 -12.1398 330.583 158.688 48.3998 158.687 -56.9816 GPRESSURE: 1007000 47.8913 72.5108 126.881 24.4682 355.349 207.456 118.726 152.908 -30.5299 PRESSAVG: 1007000 -46.5648 29.5992 13.6747 29.5991 5.79544 35.9929 13.6748 35.9928 28.4362 GPRESSAVG: 1007000 -45.389 32.7367 12.7007 31.0099 6.41485 34.415 14.8238 38.095 26.8091 TIMING: 1007000 CPU: 3000.62, 0.00294983/step Wall: 3000.62, 0.00294983/step, 3.27185 hours remaining, 207.789062 MB of memory in use. ENERGY: 1007000 710.8707 2064.5980 1907.4777 120.9166 -206192.8890 17801.4660 0.0000 0.0000 34152.2551 -149435.3049 298.2601 -183587.5600 -149347.0541 298.0809 89.7221 124.2369 557620.2814 -4.1111 -4.0550 PRESSURE: 1007200 -229.141 28.6468 34.613 28.6475 -45.2222 67.3113 34.6133 67.3111 -277.705 GPRESSURE: 1007200 -143.901 10.2638 24.4391 13.4966 -22.8501 114.891 82.8357 48.5434 -287.587 PRESSAVG: 1007200 -41.7343 -0.658987 34.3753 -0.658965 31.7814 83.6446 34.3754 83.6447 6.03266 GPRESSAVG: 1007200 -43.2792 -0.0159904 35.1033 -2.83296 33.3655 83.5671 33.6502 83.7275 6.08744 TIMING: 1007200 CPU: 3001.21, 0.00298608/step Wall: 3001.21, 0.00298608/step, 3.31189 hours remaining, 207.789062 MB of memory in use. ENERGY: 1007200 778.4233 2066.9656 1940.7739 111.6293 -206064.4925 17706.5592 0.0000 0.0000 33970.9463 -149489.1949 296.6767 -183460.1413 -149390.0802 297.9432 -184.0227 -151.4459 557158.5288 -1.3068 -1.2754 PRESSURE: 1007400 -89.4678 115.48 -38.1345 115.478 215.984 118.938 -38.1339 118.938 134.783 GPRESSURE: 1007400 -100.305 78.2488 -64.6154 104.465 283.261 94.0433 -74.5958 39.4264 178.709 PRESSAVG: 1007400 -2.05075 -23.53 80.5999 -23.53 33.0371 105.295 80.5999 105.294 -52.0882 GPRESSAVG: 1007400 -1.04174 -24.3233 80.5294 -23.6251 31.4836 106.456 78.904 103.149 -51.671 TIMING: 1007400 CPU: 3001.81, 0.00299135/step Wall: 3001.81, 0.00299135/step, 3.31758 hours remaining, 207.789062 MB of memory in use. ENERGY: 1007400 688.4553 2054.5160 1928.3455 110.4620 -206294.5972 17739.3263 0.0000 0.0000 34409.7745 -149363.7174 300.5091 -183773.4919 -149267.1032 298.5819 87.0999 120.5548 556010.5866 -7.0339 -7.0764 PRESSURE: 1007600 -222.745 -107.843 -73.3128 -107.845 171.552 -177.538 -73.3143 -177.538 226.098 GPRESSURE: 1007600 -236.341 -90.1488 -64.4781 -51.3268 209.562 -230.838 -105.068 -124.775 297.111 PRESSAVG: 1007600 -42.4075 -6.80151 7.90231 -6.80154 34.9857 68.2082 7.90232 68.2082 -14.0833 GPRESSAVG: 1007600 -43.5238 -7.79504 9.29089 -6.23577 35.2989 68.6368 8.39847 69.5982 -13.2599 TIMING: 1007600 CPU: 3002.42, 0.00302687/step Wall: 3002.42, 0.00302687/step, 3.35679 hours remaining, 207.789062 MB of memory in use. ENERGY: 1007600 723.7856 2131.8543 1943.2379 116.0279 -206598.8283 17972.1982 0.0000 0.0000 34015.4974 -149696.2269 297.0658 -183711.7244 -149601.8652 298.2708 58.3017 90.1105 556605.9340 -7.1684 -7.1616 PRESSURE: 1007800 -171.262 -110.237 41.7396 -110.236 -17.7205 -65.5121 41.7385 -65.5132 -120.343 GPRESSURE: 1007800 -136.408 -115.537 -1.5787 -117.844 -16.0034 20.2334 63.7281 -74.5744 -53.8266 PRESSAVG: 1007800 -23.6807 6.49725 -7.20875 6.49722 49.058 -2.41716 -7.20884 -2.41714 -16.1424 GPRESSAVG: 1007800 -22.8264 5.88008 -9.96778 6.9415 49.76 -3.13721 -5.11665 -3.97811 -18.2324 TIMING: 1007800 CPU: 3003.01, 0.00298022/step Wall: 3003.01, 0.00298022/step, 3.3049 hours remaining, 207.789062 MB of memory in use. ENERGY: 1007800 745.0831 2104.2638 1914.9556 110.4062 -206274.9046 17757.6038 0.0000 0.0000 34152.8058 -149489.7863 298.2649 -183642.5920 -149398.3037 297.9571 -103.1085 -68.7459 556345.7742 3.0783 2.9004 PRESSURE: 1008000 -163.377 116.433 1.90373 116.432 132.508 -165.8 1.90539 -165.799 -255.91 GPRESSURE: 1008000 -123.627 134.026 46.5774 48.5708 130.444 -169.177 16.7405 -212.614 -201.013 PRESSAVG: 1008000 -1.90895 36.2043 -45.9819 36.2042 -5.94484 31.3646 -45.9819 31.3647 7.45346 GPRESSAVG: 1008000 -1.78639 36.8805 -45.2711 35.0295 -5.41027 29.5516 -47.2308 33.5914 7.83942 TIMING: 1008000 CPU: 3003.61, 0.0029807/step Wall: 3003.61, 0.0029807/step, 3.30527 hours remaining, 207.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1008000 751.7834 2057.1256 1964.3463 128.6628 -206502.2155 17736.2269 0.0000 0.0000 34280.9399 -149583.1305 299.3840 -183864.0704 -149480.2110 298.4689 -95.5927 -64.7323 557017.4369 -0.1334 0.2143 PRESSURE: 1008200 -207.096 61.951 -41.2462 61.9506 -117.136 -118.875 -41.2477 -118.875 167.723 GPRESSURE: 1008200 -207.234 74.9095 18.5435 20.1869 -103.04 -90.6703 -91.8679 -157.823 243.522 PRESSAVG: 1008200 33.9765 1.59332 -26.4413 1.59338 -56.0522 -44.4429 -26.4413 -44.4429 55.7685 GPRESSAVG: 1008200 33.3198 2.69122 -25.5802 1.16362 -57.0626 -42.5138 -25.5818 -45.0566 57.5398 TIMING: 1008200 CPU: 3004.21, 0.00299204/step Wall: 3004.21, 0.00299204/step, 3.31768 hours remaining, 207.789062 MB of memory in use. ENERGY: 1008200 745.8500 2094.9534 1922.8737 108.8422 -206635.3228 17837.8609 0.0000 0.0000 34291.7512 -149633.1915 299.4784 -183924.9426 -149533.8921 298.6177 -52.1695 -22.2507 556367.1700 11.2309 11.2657 LDB: ============= START OF LOAD BALANCING ============== 3007.75 LDB: ============== END OF LOAD BALANCING =============== 3007.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3007.76 LDB: ============= START OF LOAD BALANCING ============== 3008.05 LDB: Largest compute 4796 load 0.027245 is 23.1% of average load 0.118116 LDB: Average compute 0.001733 is 1.5% of average load 0.118116 LDB: TIME 3008.06 LOAD: AVG 0.118116 MAX 0.209917 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.305 MB LDB: TIME 3008.06 LOAD: AVG 0.118116 MAX 0.209917 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.305 MB LDB: TIME 3008.06 LOAD: AVG 0.118116 MAX 0.209917 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.305 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3008.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3008.06 PRESSURE: 1008400 -73.4269 32.9054 -108.091 32.9052 124.01 172.223 -108.091 172.222 -170.074 GPRESSURE: 1008400 -114.875 43.1005 -130.447 2.84817 138.147 19.5911 -64.5387 226.942 -54.8722 PRESSAVG: 1008400 -60.1097 31.2352 25.9596 31.2352 33.7815 -37.8439 25.9596 -37.8439 45.8424 GPRESSAVG: 1008400 -58.7312 29.5161 25.4332 31.383 33.436 -37.8348 24.9156 -37.6755 44.0968 TIMING: 1008400 CPU: 3004.81, 0.00302372/step Wall: 3004.81, 0.00302372/step, 3.35264 hours remaining, 206.304688 MB of memory in use. ENERGY: 1008400 723.6679 2034.7470 1964.8200 110.8560 -206460.0169 17912.6696 0.0000 0.0000 34038.2365 -149675.0201 297.2644 -183713.2565 -149573.5901 298.1534 -39.8301 -10.5334 557555.4346 6.5047 6.2672 PRESSURE: 1008600 63.735 34.9771 106.479 34.9774 41.4185 239.448 106.479 239.447 -6.2383 GPRESSURE: 1008600 131.853 -1.60804 132.455 48.5941 25.3278 270.123 134.005 245.368 46.996 PRESSAVG: 1008600 1.70494 -9.06085 -23.4191 -9.06074 -23.1827 -38.2714 -23.4191 -38.2713 39.3742 GPRESSAVG: 1008600 1.00386 -7.85626 -23.3634 -9.40651 -22.146 -39.7503 -22.8877 -39.1139 38.6639 TIMING: 1008600 CPU: 3005.4, 0.00294598/step Wall: 3005.4, 0.00294598/step, 3.26627 hours remaining, 206.562500 MB of memory in use. ENERGY: 1008600 736.0383 2091.1750 1961.2745 108.4989 -206444.9852 18031.6036 0.0000 0.0000 34037.4277 -149478.9671 297.2573 -183516.3948 -149387.0516 298.2825 32.9718 68.0590 557996.3424 5.9655 5.8406 PRESSURE: 1008800 -89.1563 -172.405 103.904 -172.406 -68.6515 34.9228 103.905 34.9226 20.5622 GPRESSURE: 1008800 -93.0549 -84.9037 74.1088 -156.383 11.8514 57.7287 78.3811 28.9349 49.4807 PRESSAVG: 1008800 2.58689 -18.2572 34.7003 -18.2572 20.9155 -9.27606 34.7004 -9.27605 -1.32059 GPRESSAVG: 1008800 1.91021 -17.1491 36.4271 -17.9838 20.6999 -6.5328 34.0193 -10.969 -0.220103 TIMING: 1008800 CPU: 3005.99, 0.00296499/step Wall: 3005.99, 0.00296499/step, 3.28718 hours remaining, 206.562500 MB of memory in use. ENERGY: 1008800 770.0542 2123.7919 1959.2437 119.0071 -206588.4410 17947.3386 0.0000 0.0000 34055.2384 -149613.7671 297.4129 -183669.0055 -149522.9358 298.4052 -45.7485 -10.5742 556805.8080 7.3939 7.4633 PRESSURE: 1009000 220.161 -9.80058 41.8444 -9.80184 94.499 69.0591 41.844 69.0603 -8.85386 GPRESSURE: 1009000 276.99 -3.51727 21.2927 -32.7928 130.859 -27.5492 -32.6174 122.01 -7.26316 PRESSAVG: 1009000 -9.12088 -31.9819 21.7887 -31.9818 0.668545 -34.6295 21.7888 -34.6296 -1.26589 GPRESSAVG: 1009000 -8.31226 -34.4079 22.034 -32.7574 -0.179557 -36.847 23.3429 -33.4059 -1.23612 TIMING: 1009000 CPU: 3006.59, 0.002987/step Wall: 3006.59, 0.002987/step, 3.31142 hours remaining, 206.562500 MB of memory in use. ENERGY: 1009000 721.7649 2094.0076 1965.1328 131.6199 -206458.3941 17883.2976 0.0000 0.0000 34159.9179 -149502.6534 298.3271 -183662.5714 -149404.6877 298.1860 101.9354 133.5285 555632.9881 -3.2394 -3.2426 PRESSURE: 1009200 -7.72844 9.40468 112.307 9.40446 -116.18 -90.0052 112.306 -90.0034 -294 GPRESSURE: 1009200 41.8981 -20.179 132.977 65.8502 -158.219 -177.781 -11.0962 -84.2276 -211.286 PRESSAVG: 1009200 69.4896 -6.94115 1.26946 -6.94124 -6.72729 -2.2222 1.26952 -2.22222 -9.52915 GPRESSAVG: 1009200 68.377 -6.77318 2.22123 -7.10925 -6.18979 -3.60052 -0.315229 -0.239345 -9.64027 TIMING: 1009200 CPU: 3007.18, 0.00296062/step Wall: 3007.18, 0.00296062/step, 3.28201 hours remaining, 206.562500 MB of memory in use. ENERGY: 1009200 744.1581 2102.1255 1968.9796 129.7894 -206182.7830 17774.0147 0.0000 0.0000 34206.6004 -149257.1153 298.7347 -183463.7157 -149165.6956 298.7387 -139.3027 -109.2022 558255.1209 17.7444 17.5156 PRESSURE: 1009400 -196.037 -74.3069 141.091 -74.3061 77.9972 -16.7258 141.092 -16.7258 -3.29436 GPRESSURE: 1009400 -146.287 -88.7343 137.612 -0.226803 164.708 -13.0589 104.128 -12.5997 -44.8514 PRESSAVG: 1009400 -16.6145 12.6862 40.8473 12.6862 -10.1549 -19.6078 40.8473 -19.6078 58.1635 GPRESSAVG: 1009400 -17.1371 12.821 39.7499 13.6903 -10.4946 -18.5337 41.9199 -21.7825 58.8525 TIMING: 1009400 CPU: 3007.78, 0.00295922/step Wall: 3007.78, 0.00295922/step, 3.2803 hours remaining, 206.562500 MB of memory in use. ENERGY: 1009400 782.0833 2110.3984 1971.3954 113.0233 -206238.4170 17801.7240 0.0000 0.0000 34233.9264 -149225.8661 298.9734 -183459.7925 -149132.6458 299.4467 -40.4447 -8.8102 557626.4989 10.4647 10.4069 PRESSURE: 1009600 79.7073 -82.2243 -108.953 -82.2249 -186.804 -183.189 -108.952 -183.188 -70.4176 GPRESSURE: 1009600 102.494 -124.421 -92.6977 -44.2043 -119.231 -175.377 -170.857 -249.414 -57.3144 PRESSAVG: 1009600 -74.0386 -34.9487 18.177 -34.9487 52.5424 -37.565 18.177 -37.5652 38.1905 GPRESSAVG: 1009600 -73.2955 -36.506 18.7127 -34.5181 52.2375 -37.8499 17.8765 -37.8989 38.0275 TIMING: 1009600 CPU: 3008.37, 0.00298087/step Wall: 3008.37, 0.00298087/step, 3.30413 hours remaining, 206.562500 MB of memory in use. ENERGY: 1009600 758.8970 2102.9617 1944.8545 114.7642 -206142.5667 17743.1941 0.0000 0.0000 34311.4940 -149166.4012 299.6508 -183477.8953 -149065.7526 299.3329 -59.1715 -24.6839 557786.1076 5.5648 5.6565 PRESSURE: 1009800 175.098 110.885 177.702 110.885 152.626 -75.5405 177.703 -75.5413 195.681 GPRESSURE: 1009800 198.312 111.09 168.437 32.3476 203.99 1.76545 107.659 -88.7464 214.275 PRESSAVG: 1009800 40.374 -58.283 21.0465 -58.2831 -54.2969 14.3271 21.0465 14.3271 3.02341 GPRESSAVG: 1009800 39.4299 -58.0751 19.8141 -59.2048 -54.2242 14.4331 22.1235 16.0214 3.7802 TIMING: 1009800 CPU: 3008.97, 0.00296791/step Wall: 3008.97, 0.00296791/step, 3.2896 hours remaining, 206.562500 MB of memory in use. ENERGY: 1009800 745.6757 2148.9110 1939.3261 113.9034 -206656.3526 18218.4412 0.0000 0.0000 34356.2350 -149133.8602 300.0415 -183490.0952 -149033.4974 300.1837 174.4684 205.5256 556260.1724 -3.6332 -3.6714 PRESSURE: 1010000 -56.1989 3.34649 176.69 3.34809 -83.0098 -76.1709 176.688 -76.1692 40.0507 GPRESSURE: 1010000 -22.8866 55.5584 59.1683 73.3588 -49.5659 -59.9847 192.272 -18.8553 87.4205 PRESSAVG: 1010000 -17.4669 -11.552 25.506 -11.552 -19.9493 -45.2385 25.5061 -45.2385 4.79707 GPRESSAVG: 1010000 -17.8953 -10.4696 25.812 -8.83198 -19.8054 -42.4756 25.7903 -48.6817 5.59986 TIMING: 1010000 CPU: 3009.56, 0.00297633/step Wall: 3009.56, 0.00297633/step, 3.29876 hours remaining, 206.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1010000 741.5430 2180.4894 1959.8597 112.3410 -206430.6738 17813.0562 0.0000 0.0000 34394.1097 -149229.2747 300.3723 -183623.3844 -149134.3093 299.8208 -33.0527 4.9893 557497.6783 -10.8730 -10.7003 PRESSURE: 1010200 -446.357 123.877 -62.7287 123.878 -191.986 -39.0747 -62.7279 -39.0743 -169.16 GPRESSURE: 1010200 -447.623 55.9814 3.0835 121.269 -132.135 -72.7252 -148.165 -3.55911 -134.794 PRESSAVG: 1010200 -7.09735 -8.18576 36.0568 -8.18573 -1.34 -69.7617 36.0568 -69.7616 47.5196 GPRESSAVG: 1010200 -6.23067 -6.57723 37.2782 -10.1292 -2.41556 -72.0692 34.54 -66.6862 46.9892 TIMING: 1010200 CPU: 3010.16, 0.00301915/step Wall: 3010.16, 0.00301915/step, 3.34605 hours remaining, 206.562500 MB of memory in use. ENERGY: 1010200 772.0502 2170.0771 1926.8729 105.9776 -205910.0962 17341.6613 0.0000 0.0000 34287.3953 -149306.0618 299.4404 -183593.4571 -149211.9255 300.0781 -269.1677 -238.1843 557051.9370 13.0274 12.7810 PRESSURE: 1010400 250.355 -55.6895 2.45463 -55.6904 -179.225 -77.0818 2.45362 -77.0824 -371.75 GPRESSURE: 1010400 224.333 -88.8017 79.3587 -85.8019 -114.494 -101.661 -33.7597 -16.5283 -307.291 PRESSAVG: 1010400 78.4724 9.29298 -45.2571 9.29302 -67.2623 4.80372 -45.2572 4.80378 -5.02144 GPRESSAVG: 1010400 77.9535 6.56005 -45.5542 9.65098 -67.0628 5.01342 -45.3807 3.60979 -5.11642 TIMING: 1010400 CPU: 3010.77, 0.00300621/step Wall: 3010.77, 0.00300621/step, 3.33155 hours remaining, 206.562500 MB of memory in use. ENERGY: 1010400 787.5146 2096.9728 1942.8371 109.5250 -206413.1637 18005.2849 0.0000 0.0000 34126.8450 -149344.1843 298.0382 -183471.0293 -149245.6207 299.3081 -100.2069 -65.8173 558224.8150 2.0629 1.9248 PRESSURE: 1010600 70.9075 177.416 91.7379 177.415 99.1971 -44.9291 91.7371 -44.9278 -137.799 GPRESSURE: 1010600 84.0259 172.192 83.4445 151.905 175.185 9.4079 -19.2507 -98.0892 -116.996 PRESSAVG: 1010600 42.3384 31.2496 42.6283 31.2496 -75.3432 -21.2385 42.6283 -21.2385 20.8635 GPRESSAVG: 1010600 41.113 35.849 43.0522 31.1693 -74.492 -22.14 43.3135 -19.8036 20.9024 TIMING: 1010600 CPU: 3011.36, 0.00298346/step Wall: 3011.36, 0.00298346/step, 3.30617 hours remaining, 206.562500 MB of memory in use. ENERGY: 1010600 737.5636 2073.3942 1953.7346 108.4490 -206458.4054 17950.5981 0.0000 0.0000 34444.9956 -149189.6701 300.8167 -183634.6658 -149091.1229 299.8749 10.7686 47.4048 556546.1443 -4.0471 -4.1589 PRESSURE: 1010800 212.445 -14.4923 -58.8304 -14.4922 197.92 39.6181 -58.8309 39.6166 141.245 GPRESSURE: 1010800 237.827 18.1691 21.0256 -58.0904 247.504 1.44 -69.5527 38.4822 166.11 PRESSAVG: 1010800 15.8314 23.0073 -17.8823 23.0073 3.48594 79.0367 -17.8823 79.0366 -45.392 GPRESSAVG: 1010800 16.1196 21.3435 -16.1322 22.3602 3.28435 79.6637 -17.7802 77.2573 -45.4072 TIMING: 1010800 CPU: 3011.96, 0.00297737/step Wall: 3011.96, 0.00297737/step, 3.29926 hours remaining, 206.562500 MB of memory in use. ENERGY: 1010800 751.2144 2081.3800 1933.0772 107.5459 -206605.4983 18108.3402 0.0000 0.0000 34316.4923 -149307.4484 299.6945 -183623.9407 -149209.1756 299.7543 183.8700 217.1473 556556.3344 -8.6915 -8.6678 PRESSURE: 1011000 -106.93 -73.9926 -70.1127 -73.9911 42.2064 72.4404 -70.1128 72.4387 -48.1141 GPRESSURE: 1011000 -46.5558 -78.6892 24.2913 -43.9899 30.5023 54.4309 -92.2813 13.752 0.107702 PRESSAVG: 1011000 -0.660042 -18.2268 -26.1617 -18.2269 18.9389 14.3059 -26.1618 14.3058 1.01609 GPRESSAVG: 1011000 0.191446 -19.6862 -27.1377 -16.2925 19.2964 13.1156 -24.5685 15.6283 -0.0178533 TIMING: 1011000 CPU: 3012.55, 0.00295545/step Wall: 3012.55, 0.00295545/step, 3.2748 hours remaining, 206.562500 MB of memory in use. ENERGY: 1011000 738.6878 2051.7903 1949.3103 109.8871 -205945.5010 17646.2747 0.0000 0.0000 34083.0773 -149366.4735 297.6560 -183449.5508 -149263.9836 298.9043 -37.6126 -5.3153 557912.8681 6.4317 6.4900 PRESSURE: 1011200 40.1888 -57.4871 12.8514 -57.4875 184.974 121.199 12.8504 121.198 -171.518 GPRESSURE: 1011200 113.166 -87.4366 -94.8581 43.4463 141.278 16.8683 29.1013 168.18 -101.89 PRESSAVG: 1011200 32.2369 5.25723 10.8595 5.25719 -15.6147 77.6893 10.8594 77.6894 -35.2117 GPRESSAVG: 1011200 31.9568 3.85717 11.2741 3.3569 -15.9467 77.6504 8.83055 79.4655 -34.4515 TIMING: 1011200 CPU: 3013.14, 0.00297371/step Wall: 3013.14, 0.00297371/step, 3.29487 hours remaining, 206.562500 MB of memory in use. ENERGY: 1011200 725.7093 2095.2296 1938.6440 124.7395 -206333.4945 17755.0557 0.0000 0.0000 34280.9357 -149413.1807 299.3839 -183694.1164 -149314.0646 298.1234 17.8818 50.8511 556556.3485 -6.1965 -6.1472 PRESSURE: 1011400 62.8715 19.6201 98.2069 19.6191 -177.51 186.185 98.2062 186.185 182.773 GPRESSURE: 1011400 107.8 -11.795 90.9902 38.5191 -136.789 150.993 79.8679 135.494 188.091 PRESSAVG: 1011400 -66.8463 -54.9521 -5.33929 -54.9521 16.071 64.3581 -5.33922 64.3581 61.8621 GPRESSAVG: 1011400 -66.6648 -51.8644 -3.88525 -54.4231 15.1962 65.4022 -4.63475 63.4721 62.3234 TIMING: 1011400 CPU: 3013.74, 0.00297462/step Wall: 3013.74, 0.00297462/step, 3.29571 hours remaining, 206.562500 MB of memory in use. ENERGY: 1011400 737.1621 2081.4394 1943.7496 111.1410 -206268.1005 17806.4927 0.0000 0.0000 34016.0447 -149572.0710 297.0706 -183588.1157 -149486.2456 297.7485 22.7115 53.0340 557287.5889 3.6956 3.6182 PRESSURE: 1011600 -114.335 -12.9198 35.643 -12.9213 -69.4562 68.6573 35.6434 68.6572 -366.05 GPRESSURE: 1011600 -97.3136 -78.3523 52.7987 -11.8698 -102.007 144.412 117.785 21.8832 -254.822 PRESSAVG: 1011600 -15.2469 -42.36 -26.5212 -42.36 61.4503 10.7696 -26.5213 10.7697 -29.8782 GPRESSAVG: 1011600 -16.0626 -44.3622 -28.3594 -40.6502 62.0433 10.4816 -25.5549 11.566 -30.0585 TIMING: 1011600 CPU: 3014.34, 0.00299132/step Wall: 3014.34, 0.00299132/step, 3.31405 hours remaining, 206.562500 MB of memory in use. ENERGY: 1011600 728.2809 2063.1769 1902.5731 112.4417 -206332.8527 17688.3055 0.0000 0.0000 34419.2012 -149418.8734 300.5914 -183838.0746 -149320.0035 298.1463 -183.2803 -151.3810 559717.4158 5.4418 5.3074 PRESSURE: 1011800 20.8562 -106.611 -148.613 -106.611 59.1417 -146.867 -148.614 -146.868 17.8264 GPRESSURE: 1011800 69.7536 -196.676 -162.42 -100.87 92.8376 -69.4464 -139.907 -87.2427 23.3622 PRESSAVG: 1011800 -10.6383 -15.3521 0.322218 -15.3521 56.1142 -19.1317 0.322253 -19.1317 -2.12568 GPRESSAVG: 1011800 -10.4665 -14.1024 -0.940152 -17.3922 56.4979 -19.8319 -0.216374 -18.942 -2.82388 TIMING: 1011800 CPU: 3014.94, 0.00300323/step Wall: 3014.94, 0.00300323/step, 3.32708 hours remaining, 206.562500 MB of memory in use. ENERGY: 1011800 754.1987 2039.8815 1937.1810 118.7543 -206548.9771 17973.3133 0.0000 0.0000 34066.4622 -149659.1862 297.5109 -183725.6483 -149567.0648 298.0297 32.6081 61.9844 558081.3382 14.4501 14.4025 PRESSURE: 1012000 57.4281 -26.8933 -44.2732 -26.8929 183.26 -15.1339 -44.2728 -15.1326 270.235 GPRESSURE: 1012000 140.618 -67.9274 -95.0516 26.075 216.031 -55.9928 -80.5167 60.3329 242.37 PRESSAVG: 1012000 -1.47787 -75.5199 -53.4733 -75.52 -22.6775 10.1552 -53.4733 10.1552 52.0156 GPRESSAVG: 1012000 -2.26449 -75.8544 -53.6845 -76.5591 -23.2594 11.5746 -54.8682 10.4106 53.1317 TIMING: 1012000 CPU: 3015.54, 0.00299296/step Wall: 3015.54, 0.00299296/step, 3.31553 hours remaining, 206.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1012000 738.6257 2104.2084 1973.5577 111.5978 -206804.1376 18106.2034 0.0000 0.0000 34079.9438 -149690.0008 297.6286 -183769.9446 -149597.3562 296.9361 170.3076 199.6731 558019.1493 9.2868 9.2026 PRESSURE: 1012200 221.143 -39.0681 -0.71065 -39.0696 217.293 -62.2803 -0.711638 -62.2802 403.422 GPRESSURE: 1012200 283.086 -22.0738 53.1465 -41.2041 232.025 -127.38 103.738 -48.6978 439.56 PRESSAVG: 1012200 -46.7289 -8.54307 -16.7016 -8.54311 -18.0272 47.2069 -16.7016 47.2068 92.7275 GPRESSAVG: 1012200 -44.8076 -7.80109 -16.077 -7.30312 -19.134 46.4134 -14.9474 45.7206 91.5131 TIMING: 1012200 CPU: 3016.13, 0.0029676/step Wall: 3016.13, 0.0029676/step, 3.28728 hours remaining, 206.562500 MB of memory in use. ENERGY: 1012200 737.5066 2041.8281 1932.7421 121.6330 -207072.0771 18336.4992 0.0000 0.0000 34165.3279 -149736.5401 298.3743 -183901.8680 -149639.8945 298.3358 280.6195 318.2240 555996.2264 9.3238 9.1905 LDB: ============= START OF LOAD BALANCING ============== 3019.68 LDB: ============== END OF LOAD BALANCING =============== 3019.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3019.68 LDB: ============= START OF LOAD BALANCING ============== 3019.98 LDB: Largest compute 4773 load 0.027631 is 23.4% of average load 0.118170 LDB: Average compute 0.001720 is 1.5% of average load 0.118170 LDB: TIME 3019.98 LOAD: AVG 0.11817 MAX 0.210935 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.621 MB LDB: TIME 3019.98 LOAD: AVG 0.11817 MAX 0.210935 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.875 MB LDB: TIME 3019.98 LOAD: AVG 0.11817 MAX 0.210935 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.875 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3019.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3019.99 PRESSURE: 1012400 -217.898 -82.4293 43.2424 -82.4292 -56.2037 21.4705 43.2423 21.4712 22.8693 GPRESSURE: 1012400 -164.644 -164.934 86.0343 -95.0975 -13.9317 70.1087 46.8012 46.0423 30.3915 PRESSAVG: 1012400 -50.3924 -3.05869 45.1203 -3.05869 -102.256 2.21449 45.1203 2.21462 138.888 GPRESSAVG: 1012400 -51.8984 -3.02271 43.9856 -4.34344 -101.556 2.93291 46.2337 3.22337 139.606 TIMING: 1012400 CPU: 3016.74, 0.00305767/step Wall: 3016.74, 0.00305767/step, 3.38688 hours remaining, 206.703125 MB of memory in use. ENERGY: 1012400 724.3080 2066.4813 1931.9581 117.4838 -206481.6785 17763.1945 0.0000 0.0000 34103.9942 -149774.2585 297.8387 -183878.2527 -149670.7884 298.1911 -83.7443 -49.3947 557355.7383 -4.5867 -4.6160 PRESSURE: 1012600 84.7799 89.5851 -65.8085 89.5853 -14.5086 164.516 -65.8088 164.516 54.3377 GPRESSURE: 1012600 46.9872 89.5781 -75.4651 86.7515 96.3387 76.6146 -3.40425 185.098 69.4423 PRESSAVG: 1012600 53.0822 16.5095 25.4709 16.5096 -47.1313 30.5872 25.471 30.5873 34.1268 GPRESSAVG: 1012600 53.1565 17.0151 25.2383 16.0592 -46.7678 30.7323 25.7176 30.3076 33.203 TIMING: 1012600 CPU: 3017.34, 0.00298675/step Wall: 3017.34, 0.00298675/step, 3.30816 hours remaining, 206.703125 MB of memory in use. ENERGY: 1012600 757.0606 2102.0780 1939.8484 117.9110 -206651.9871 17945.5253 0.0000 0.0000 34134.7184 -149654.8454 298.1070 -183789.5638 -149565.0722 298.0589 41.5363 70.9227 557409.6006 13.3592 13.1972 PRESSURE: 1012800 -63.9887 85.5735 -112.955 85.5735 -237.575 202.883 -112.954 202.883 -53.7685 GPRESSURE: 1012800 -56.5272 193.274 -67.6794 49.5016 -191.093 193.247 -102.261 194.615 -9.33829 PRESSAVG: 1012800 -5.93718 -4.72458 15.7286 -4.72456 -26.7721 53.9017 15.7285 53.9017 12.1105 GPRESSAVG: 1012800 -6.37155 -5.01138 17.0772 -3.96783 -26.0735 54.5825 15.0862 52.1922 12.3842 TIMING: 1012800 CPU: 3017.93, 0.00296323/step Wall: 3017.93, 0.00296323/step, 3.28195 hours remaining, 206.703125 MB of memory in use. ENERGY: 1012800 769.5076 2108.7534 1933.9394 110.7844 -206386.8324 17781.9565 0.0000 0.0000 34194.0624 -149487.8287 298.6253 -183681.8911 -149397.9553 298.8346 -118.4440 -85.6527 556900.7956 -6.8663 -6.6869 PRESSURE: 1013000 -28.2338 43.9337 112.446 43.9338 -263.901 -120.698 112.447 -120.698 149.535 GPRESSURE: 1013000 -0.406355 7.91363 83.3107 83.5744 -236.187 -37.5841 154.189 -139.139 192.189 PRESSAVG: 1013000 43.3612 -2.29491 3.50234 -2.29493 -42.3344 -13.6339 3.50232 -13.6339 7.90367 GPRESSAVG: 1013000 43.8379 -3.206 2.52869 -1.92394 -42.9106 -13.0901 2.77422 -12.674 7.79164 TIMING: 1013000 CPU: 3018.52, 0.00295996/step Wall: 3018.52, 0.00295996/step, 3.27815 hours remaining, 206.703125 MB of memory in use. ENERGY: 1013000 778.4534 2066.1747 1951.1799 112.5822 -206739.6516 18086.3744 0.0000 0.0000 34180.2454 -149564.6415 298.5046 -183744.8869 -149468.9677 299.1200 -47.5332 -14.8014 557754.7143 2.9768 2.9063 PRESSURE: 1013200 -157.27 165.342 -67.6221 165.343 -167.089 -20.4771 -67.6237 -20.4778 43.0242 GPRESSURE: 1013200 -147.33 143.058 -25.2606 122.983 -104.869 12.6333 -92.2094 -40.1774 69.7324 PRESSAVG: 1013200 -20.4785 46.8994 -1.9648 46.8995 -34.5503 -13.876 -1.96477 -13.8759 33.3146 GPRESSAVG: 1013200 -21.3198 46.0394 -0.630134 47.1763 -34.2231 -15.3917 -2.62221 -12.9423 33.9016 TIMING: 1013200 CPU: 3019.11, 0.00295731/step Wall: 3019.11, 0.00295731/step, 3.27505 hours remaining, 206.703125 MB of memory in use. ENERGY: 1013200 726.0425 2090.5799 1946.8533 115.5991 -206347.5320 17707.4742 0.0000 0.0000 34211.4145 -149549.5685 298.7768 -183760.9829 -149457.8580 298.7147 -93.7784 -60.8224 558620.6516 -7.2381 -7.2138 PRESSURE: 1013400 -29.5887 -50.343 -66.0511 -50.3426 -97.5534 -21.9399 -66.0518 -21.9392 -39.9529 GPRESSURE: 1013400 -40.9222 36.167 -112.176 -88.1952 -53.2158 -41.3528 -10.6173 -55.4832 39.9961 PRESSAVG: 1013400 -28.7778 36.0505 8.37251 36.0503 52.7869 -0.0868349 8.37255 -0.0869582 7.99039 GPRESSAVG: 1013400 -28.2397 36.834 7.39093 36.9618 52.3927 0.233075 8.03268 -1.33378 7.29234 TIMING: 1013400 CPU: 3019.71, 0.00296881/step Wall: 3019.71, 0.00296881/step, 3.28762 hours remaining, 206.703125 MB of memory in use. ENERGY: 1013400 767.1515 2159.7626 1962.1990 118.4498 -206620.3307 17860.4633 0.0000 0.0000 34402.6490 -149349.6555 300.4469 -183752.3045 -149249.8205 298.9555 -55.6983 -18.0473 557733.2023 10.6665 10.4818 PRESSURE: 1013600 18.4622 77.8273 -83.0305 77.8256 -114.767 19.004 -83.0301 19.005 286.2 GPRESSURE: 1013600 26.6257 35.6699 -88.4973 33.7516 -54.0257 -45.574 -25.8907 68.9729 310.267 PRESSAVG: 1013600 19.0848 -14.1859 22.2231 -14.1859 14.1153 5.081 22.2231 5.08108 -22.3769 GPRESSAVG: 1013600 18.8397 -14.9951 21.683 -14.7749 12.956 4.50348 23.2613 5.16168 -20.6934 TIMING: 1013600 CPU: 3020.3, 0.00297238/step Wall: 3020.3, 0.00297238/step, 3.29142 hours remaining, 206.703125 MB of memory in use. ENERGY: 1013600 767.5385 2091.3498 1961.4493 121.1140 -206638.9754 17997.2994 0.0000 0.0000 34306.9081 -149393.3162 299.6108 -183700.2243 -149296.5068 299.0070 63.2985 94.2889 556432.2140 3.6077 3.7008 PRESSURE: 1013800 13.1806 -6.62231 75.5144 -6.62167 -39.1764 77.937 75.5154 77.9371 14.7161 GPRESSURE: 1013800 11.7087 -69.5306 8.44149 -29.2372 13.3213 45.0076 8.32312 135.697 55.8004 PRESSAVG: 1013800 2.54676 10.098 -32.8706 10.098 -83.1302 29.9791 -32.8706 29.9792 19.5804 GPRESSAVG: 1013800 2.19709 11.2359 -33.2708 9.28266 -81.4615 29.2846 -31.8044 30.4252 18.6806 TIMING: 1013800 CPU: 3020.9, 0.00296553/step Wall: 3020.9, 0.00296553/step, 3.28366 hours remaining, 206.703125 MB of memory in use. ENERGY: 1013800 812.1710 2115.0905 1937.0963 112.7535 -206184.5580 17786.7606 0.0000 0.0000 34213.8767 -149206.8093 298.7983 -183420.6860 -149112.3827 299.3658 -3.7599 26.9435 557400.9784 -20.3344 -20.1946 PRESSURE: 1014000 -21.0546 210.225 -116.378 210.223 42.2427 -93.7036 -116.377 -93.704 -88.3587 GPRESSURE: 1014000 -0.575699 219.358 -102.307 99.2083 82.9665 -74.2475 -145.941 -84.9514 -56.7836 PRESSAVG: 1014000 61.5646 36.6927 -37.3319 36.6927 -9.39572 4.81731 -37.3319 4.81739 -32.2621 GPRESSAVG: 1014000 62.5334 37.7988 -36.4979 36.7996 -9.8434 6.86571 -39.0651 5.05757 -32.6461 TIMING: 1014000 CPU: 3021.49, 0.00296873/step Wall: 3021.49, 0.00296873/step, 3.28705 hours remaining, 206.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1014000 758.5975 2119.9553 1929.4952 113.5666 -206570.6226 17840.0413 0.0000 0.0000 34364.2341 -149444.7326 300.1114 -183808.9666 -149353.5731 298.9534 -22.3902 8.5357 557710.5687 6.6356 6.6813 PRESSURE: 1014200 -312.35 266.029 -155.345 266.027 -39.4291 -70.933 -155.345 -70.931 -121.991 GPRESSURE: 1014200 -315.562 269.642 -162.958 285.915 31.6909 -133.834 -150.652 -60.6299 -80.2237 PRESSAVG: 1014200 -7.7655 8.08844 -23.2545 8.08849 15.2016 25.462 -23.2545 25.4619 26.6313 GPRESSAVG: 1014200 -7.8498 8.15448 -22.7994 8.40218 15.4088 25.6084 -22.7821 24.4336 26.6559 TIMING: 1014200 CPU: 3022.08, 0.00296328/step Wall: 3022.08, 0.00296328/step, 3.28084 hours remaining, 206.703125 MB of memory in use. ENERGY: 1014200 783.8358 2080.0584 1928.4227 111.3650 -206165.0033 17791.0748 0.0000 0.0000 34106.4796 -149363.7670 297.8604 -183470.2466 -149272.5593 298.7606 -157.9234 -121.3649 557272.3378 11.3558 11.4050 PRESSURE: 1014400 -290.675 -125.331 326.47 -125.332 -285.638 105.422 326.471 105.423 31.5301 GPRESSURE: 1014400 -262.173 -139.661 375.253 -68.7851 -277.736 69.4001 243.079 117.568 107.384 PRESSAVG: 1014400 -11.5671 8.26429 -13.6933 8.26432 1.39893 17.6857 -13.6932 17.6857 43.3405 GPRESSAVG: 1014400 -11.235 6.42115 -13.2836 8.75932 1.53471 17.3454 -13.9521 17.5434 42.9013 TIMING: 1014400 CPU: 3022.67, 0.00295494/step Wall: 3022.67, 0.00295494/step, 3.27145 hours remaining, 206.703125 MB of memory in use. ENERGY: 1014400 773.3983 2063.9999 1963.2468 118.0497 -206391.3097 17603.5595 0.0000 0.0000 34377.1462 -149491.9093 300.2242 -183869.0555 -149388.1850 299.2959 -181.5942 -144.1751 556382.8296 11.0575 11.0670 PRESSURE: 1014600 -72.4631 167.481 104.43 167.48 -84.1466 123.727 104.431 123.726 -39.2956 GPRESSURE: 1014600 -56.5071 270.846 57.0368 75.8932 -71.3837 170.194 122.62 52.7236 32.3224 PRESSAVG: 1014600 -12.3369 -23.0562 36.6445 -23.0562 -57.0299 97.7036 36.6444 97.7037 26.6315 GPRESSAVG: 1014600 -12.3927 -22.799 37.5892 -21.874 -58.0551 96.8784 36.0301 98.9494 27.5286 TIMING: 1014600 CPU: 3023.27, 0.0029615/step Wall: 3023.27, 0.0029615/step, 3.27854 hours remaining, 206.703125 MB of memory in use. ENERGY: 1014600 715.4936 2129.5661 1961.4667 108.2676 -206225.1051 17648.0157 0.0000 0.0000 34224.4457 -149437.8496 298.8906 -183662.2953 -149342.0193 298.7918 -65.3018 -31.8561 557332.3004 -14.2451 -14.3064 PRESSURE: 1014800 53.5603 9.6796 -114.314 9.68007 -213.803 -86.753 -114.313 -86.7524 -188.326 GPRESSURE: 1014800 85.3298 10.2746 -111.45 2.23808 -151.126 -101.717 -127.701 -73.3969 -198.165 PRESSAVG: 1014800 -8.18374 -5.44274 -2.27498 -5.44272 -5.30816 2.44651 -2.27498 2.44651 1.84554 GPRESSAVG: 1014800 -7.97041 -5.11439 -2.59837 -6.8815 -5.14648 3.18076 -3.84014 0.968621 1.22973 TIMING: 1014800 CPU: 3023.86, 0.00297929/step Wall: 3023.86, 0.00297929/step, 3.29807 hours remaining, 206.703125 MB of memory in use. ENERGY: 1014800 782.8207 2079.8707 1933.5313 116.1525 -206046.0001 17650.8332 0.0000 0.0000 34031.3998 -149451.3919 297.2047 -183482.7917 -149351.0722 299.1519 -116.1897 -87.9869 555954.2865 -3.8821 -3.9624 PRESSURE: 1015000 -83.0008 50.3837 43.5749 50.3838 126.061 -94.5696 43.5752 -94.57 133.515 GPRESSURE: 1015000 -42.1372 54.0669 3.00367 2.40799 146.098 -113.893 98.145 -64.0771 166.616 PRESSAVG: 1015000 -89.3797 4.03483 -55.4461 4.03488 -6.75701 -0.698976 -55.4461 -0.69896 110.366 GPRESSAVG: 1015000 -90.6662 2.88238 -55.1868 3.51424 -5.90194 0.147461 -55.235 -0.520147 110.214 TIMING: 1015000 CPU: 3024.45, 0.00296212/step Wall: 3024.45, 0.00296212/step, 3.2789 hours remaining, 206.703125 MB of memory in use. ENERGY: 1015000 782.7527 2115.0930 1941.9319 116.9188 -206260.0983 17809.5335 0.0000 0.0000 34082.9512 -149410.9173 297.6549 -183493.8684 -149313.5225 298.8671 58.8583 90.1925 556915.0670 4.7430 4.5488 PRESSURE: 1015200 41.5938 -13.5385 -23.4792 -13.5397 -4.65193 25.7325 -23.4791 25.7316 -166.246 GPRESSURE: 1015200 2.9329 -64.5169 -107.939 -46.7776 56.8854 -10.8691 55.7444 13.7892 -102.789 PRESSAVG: 1015200 35.8512 20.6736 37.012 20.6737 37.5829 -53.5425 37.012 -53.5426 -44.8364 GPRESSAVG: 1015200 37.0285 21.8863 33.4903 19.9352 36.0623 -56.8356 40.9703 -52.8289 -44.5438 TIMING: 1015200 CPU: 3025.05, 0.00297681/step Wall: 3025.05, 0.00297681/step, 3.295 hours remaining, 206.703125 MB of memory in use. ENERGY: 1015200 744.2149 2092.9021 1964.9873 108.0560 -206174.2769 17747.6479 0.0000 0.0000 33992.9261 -149523.5426 296.8687 -183516.4687 -149431.3368 298.5644 -43.1015 -14.3235 557354.0738 9.5326 9.5156 PRESSURE: 1015400 -26.933 44.8246 1.56689 44.8244 -218.27 -118.042 1.56835 -118.043 -87.2654 GPRESSURE: 1015400 -4.52366 34.6659 7.32593 4.76004 -159.922 -72.7515 36.8104 -215.266 -66.0496 PRESSAVG: 1015400 67.4663 -0.74011 28.907 -0.74005 -46.2812 -22.9096 28.9071 -22.9096 -19.1778 GPRESSAVG: 1015400 68.1353 -1.10623 29.4782 -1.23727 -46.9167 -20.3899 27.5238 -23.9555 -19.2762 TIMING: 1015400 CPU: 3025.65, 0.00298817/step Wall: 3025.65, 0.00298817/step, 3.30741 hours remaining, 206.703125 MB of memory in use. ENERGY: 1015400 745.1383 2117.8509 1944.7013 117.4238 -206031.2761 17591.9739 0.0000 0.0000 33989.4916 -149524.6961 296.8387 -183514.1878 -149427.9663 297.9026 -110.8229 -76.8319 558116.0226 0.6691 0.6475 PRESSURE: 1015600 78.0098 -53.5028 6.44615 -53.5024 -231.409 -40.5137 6.44685 -40.5144 61.3822 GPRESSURE: 1015600 85.5972 -49.7659 -98.8667 -45.5578 -207.041 -40.0221 92.0443 -30.649 124.911 PRESSAVG: 1015600 50.9157 -19.4563 24.8875 -19.4564 -28.5293 -29.4947 24.8874 -29.4946 25.5051 GPRESSAVG: 1015600 49.4935 -18.2933 25.7451 -20.3827 -27.0256 -31.3995 24.6981 -28.9638 25.6263 TIMING: 1015600 CPU: 3026.24, 0.00297417/step Wall: 3026.24, 0.00297417/step, 3.29175 hours remaining, 206.703125 MB of memory in use. ENERGY: 1015600 749.6086 2096.4996 1923.2445 123.5749 -206708.0367 18022.1238 0.0000 0.0000 34188.5087 -149604.4766 298.5767 -183792.9852 -149517.2242 298.1290 -30.6723 1.1555 557768.2315 15.9638 16.0314 PRESSURE: 1015800 62.6273 1.72661 -5.58378 1.727 121.184 19.6528 -5.58404 19.6513 -112.349 GPRESSURE: 1015800 22.5612 -83.4356 43.2743 20.149 185.01 -18.1913 -32.8771 -39.4968 -37.4751 PRESSAVG: 1015800 -1.06144 -75.2228 -5.54692 -75.2228 -6.35832 -32.1676 -5.54697 -32.1676 10.3743 GPRESSAVG: 1015800 1.01588 -77.4664 -4.53248 -75.7113 -7.45048 -32.1641 -7.94963 -32.5557 9.65923 TIMING: 1015800 CPU: 3026.84, 0.00298968/step Wall: 3026.84, 0.00298968/step, 3.30874 hours remaining, 206.703125 MB of memory in use. ENERGY: 1015800 745.9911 2111.6641 1933.0529 103.1334 -206776.4960 18049.9174 0.0000 0.0000 34267.2715 -149565.4657 299.2646 -183832.7371 -149468.6003 298.5764 23.8209 56.6987 557903.6209 0.9848 1.0749 PRESSURE: 1016000 -16.3563 81.7166 -128.214 81.7153 9.92117 68.7318 -128.214 68.7334 89.336 GPRESSURE: 1016000 43.9439 125.957 -152.724 92.8995 -8.03594 81.0146 -152.646 -3.8781 152.11 PRESSAVG: 1016000 57.2972 -7.94222 -38.8351 -7.94226 27.5179 14.3214 -38.8351 14.3214 -79.3183 GPRESSAVG: 1016000 58.0802 -6.82357 -39.6608 -5.23083 27.7374 15.7765 -37.6542 13.8579 -79.7004 TIMING: 1016000 CPU: 3027.44, 0.00298728/step Wall: 3027.44, 0.00298728/step, 3.30592 hours remaining, 206.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1016000 776.7642 2076.0186 1944.4878 110.0995 -206508.5966 17865.1547 0.0000 0.0000 34030.3620 -149705.7100 297.1956 -183736.0720 -149618.1242 298.3364 27.6336 62.6728 556651.8742 1.8323 2.0391 PRESSURE: 1016200 -212.639 -92.3239 36.8947 -92.3233 -135.259 -49.5279 36.8933 -49.5281 125.569 GPRESSURE: 1016200 -204.487 -90.5006 156.935 -72.2822 -101.66 -60.7624 44.9556 -83.8781 180.081 PRESSAVG: 1016200 52.7045 41.9875 -43.0118 41.9875 -2.18685 -16.6009 -43.0117 -16.6009 -82.1507 GPRESSAVG: 1016200 51.0419 42.4438 -43.9473 41.6126 -2.36638 -17.8005 -42.3797 -15.7034 -80.2987 TIMING: 1016200 CPU: 3028.03, 0.00297712/step Wall: 3028.03, 0.00297712/step, 3.29452 hours remaining, 206.703125 MB of memory in use. ENERGY: 1016200 736.6671 2076.7106 1938.0688 99.0994 -205958.7780 17506.3171 0.0000 0.0000 34046.0236 -149555.8914 297.3324 -183601.9150 -149455.9664 297.9569 -74.1098 -42.0221 556136.4457 -10.5443 -10.5410 LDB: ============= START OF LOAD BALANCING ============== 3031.58 LDB: ============== END OF LOAD BALANCING =============== 3031.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3031.58 LDB: ============= START OF LOAD BALANCING ============== 3031.88 LDB: Largest compute 4774 load 0.025963 is 22.0% of average load 0.118258 LDB: Average compute 0.001713 is 1.4% of average load 0.118258 LDB: TIME 3031.88 LOAD: AVG 0.118258 MAX 0.207235 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.984 MB LDB: TIME 3031.88 LOAD: AVG 0.118258 MAX 0.207235 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.047 MB LDB: TIME 3031.88 LOAD: AVG 0.118258 MAX 0.207235 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.047 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3031.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3031.89 PRESSURE: 1016400 -119.246 105.547 8.28412 105.549 78.9777 32.1995 8.28445 32.2002 -112.166 GPRESSURE: 1016400 -59.7381 81.2106 43.9884 116.495 33.1023 98.1772 6.11379 31.1973 -23.7437 PRESSAVG: 1016400 29.4244 -7.49168 -14.1403 -7.49165 -46.1324 68.9423 -14.1402 68.9423 56.44 GPRESSAVG: 1016400 29.4857 -11.2903 -13.7104 -6.35422 -45.6755 68.7302 -13.7189 67.1845 55.3861 TIMING: 1016400 CPU: 3028.64, 0.00304056/step Wall: 3028.64, 0.00304056/step, 3.36455 hours remaining, 207.535156 MB of memory in use. ENERGY: 1016400 725.0784 2015.3064 1962.7889 110.8207 -206451.1069 17597.1585 0.0000 0.0000 34302.8890 -149737.0649 299.5757 -184039.9539 -149637.6022 299.0612 -50.8114 -16.7931 554242.9089 13.2440 13.0654 PRESSURE: 1016600 -313.739 26.5706 12.5398 26.5699 -224.456 49.5135 12.5398 49.5126 -321.718 GPRESSURE: 1016600 -309.994 123.966 -35.3856 -47.3937 -169.995 88.8726 3.42057 -7.39152 -276.1 PRESSAVG: 1016600 15.9555 57.287 -35.3612 57.2871 -46.5235 58.9626 -35.3612 58.9626 1.50441 GPRESSAVG: 1016600 15.1547 59.4735 -35.5543 56.3525 -46.5005 57.3732 -35.0461 61.2439 1.95047 TIMING: 1016600 CPU: 3029.23, 0.00296803/step Wall: 3029.23, 0.00296803/step, 3.28412 hours remaining, 207.542969 MB of memory in use. ENERGY: 1016600 774.3449 1999.1725 1940.9824 109.1682 -206366.0546 17571.6242 0.0000 0.0000 34217.2782 -149753.4841 298.8280 -183970.7624 -149652.6204 298.5644 -286.6378 -252.0300 556136.5256 -9.6879 -9.7985 PRESSURE: 1016800 -43.1761 -97.542 15.4363 -97.5413 -143.056 -55.7136 15.437 -55.7141 -170.706 GPRESSURE: 1016800 23.2076 -128.825 60.3937 -89.3784 -141.671 -101.114 21.0386 -114.437 -142.492 PRESSAVG: 1016800 -8.36775 7.55947 8.27124 7.55954 10.6244 32.0981 8.2713 32.098 10.1461 GPRESSAVG: 1016800 -6.94346 4.8978 8.96091 8.40274 10.7741 33.9702 5.97215 31.1484 9.16053 TIMING: 1016800 CPU: 3029.84, 0.00301997/step Wall: 3029.84, 0.00301997/step, 3.34142 hours remaining, 207.542969 MB of memory in use. ENERGY: 1016800 764.0373 2070.9220 1952.1238 109.6835 -206890.8814 17995.5097 0.0000 0.0000 34115.9147 -149882.6905 297.9428 -183998.6052 -149781.9866 297.7937 -118.9794 -86.9851 556143.2594 4.1343 4.3304 PRESSURE: 1017000 -28.3707 -157.869 42.441 -157.869 -44.9196 -42.0428 42.4401 -42.0425 -168.444 GPRESSURE: 1017000 31.0958 -163.446 52.4364 -91.182 -26.6139 -55.4032 -19.7028 -88.9613 -143.511 PRESSAVG: 1017000 -50.6304 -60.5762 -1.95357 -60.5761 -64.9643 -30.2752 -1.95348 -30.2753 79.8566 GPRESSAVG: 1017000 -51.1704 -57.8265 -0.251584 -62.9758 -65.7152 -30.1377 -1.14288 -30.9671 81.093 TIMING: 1017000 CPU: 3030.44, 0.00300228/step Wall: 3030.44, 0.00300228/step, 3.32169 hours remaining, 207.542969 MB of memory in use. ENERGY: 1017000 691.9381 2021.2234 1917.6985 108.6342 -206360.1779 17704.3228 0.0000 0.0000 34031.2586 -149885.1024 297.2034 -183916.3610 -149789.5274 297.6232 -80.5780 -46.3429 556960.3496 -11.9127 -11.9309 PRESSURE: 1017200 -27.6706 -221.6 30.9 -221.6 10.0126 -92.3401 30.9003 -92.3416 -135.03 GPRESSURE: 1017200 43.3832 -101.84 106.871 -290.128 -4.45373 -17.9045 26.8697 -169.811 -85.338 PRESSAVG: 1017200 68.8782 -12.9985 14.2649 -12.9986 -28.2015 -45.2292 14.2648 -45.2293 -58.6469 GPRESSAVG: 1017200 68.1478 -14.7439 12.7475 -12.3329 -28.2612 -44.8228 15.3963 -43.5576 -57.9391 TIMING: 1017200 CPU: 3031.04, 0.00300089/step Wall: 3031.04, 0.00300089/step, 3.31999 hours remaining, 207.542969 MB of memory in use. ENERGY: 1017200 750.6819 2065.1297 1943.2739 107.9085 -206390.8577 17819.2522 0.0000 0.0000 33917.6223 -149786.9892 296.2110 -183704.6115 -149690.1007 297.3667 -50.8960 -15.4695 557226.3955 -5.9901 -6.0175 PRESSURE: 1017400 -137.903 -151.424 138.307 -151.425 92.6159 -132.132 138.306 -132.132 181.827 GPRESSURE: 1017400 -116.691 -140.174 189.711 -147.507 189.865 -129.198 93.4788 -103.884 172.185 PRESSAVG: 1017400 -8.69506 -21.4231 22.0557 -21.423 -5.12153 -32.2463 22.0558 -32.2463 -28.62 GPRESSAVG: 1017400 -8.35042 -19.9893 21.9385 -22.4467 -4.46793 -34.8375 21.1761 -32.5884 -29.7375 TIMING: 1017400 CPU: 3031.64, 0.00299039/step Wall: 3031.64, 0.00299039/step, 3.3082 hours remaining, 207.542969 MB of memory in use. ENERGY: 1017400 725.0139 2077.7230 1946.0432 111.8173 -206326.4571 17767.8829 0.0000 0.0000 34227.7222 -149470.2546 298.9192 -183697.9768 -149371.0124 297.7732 45.5132 81.7862 558063.2199 -14.1455 -14.1853 PRESSURE: 1017600 -286.016 109.948 171.861 109.948 -261.623 -154.133 171.862 -154.132 13.1482 GPRESSURE: 1017600 -247.314 90.4407 165.611 156.809 -213.437 -164.439 163.776 -74.0191 33.2515 PRESSAVG: 1017600 -34.3803 62.3622 78.7758 62.3622 9.80733 -50.0824 78.7759 -50.0824 94.1075 GPRESSAVG: 1017600 -33.2264 64.3599 78.5615 64.4058 9.55023 -47.6062 78.2472 -50.2493 93.47 TIMING: 1017600 CPU: 3032.23, 0.00295375/step Wall: 3032.23, 0.00295375/step, 3.26751 hours remaining, 207.542969 MB of memory in use. ENERGY: 1017600 718.2632 2084.0486 1945.3471 122.5274 -206121.7940 17556.2848 0.0000 0.0000 34248.9785 -149446.3444 299.1048 -183695.3229 -149343.6448 298.8792 -178.1637 -142.5000 558077.7057 23.1782 23.2646 PRESSURE: 1017800 -90.1856 -11.1019 155.555 -11.1016 155.897 155.261 155.555 155.26 165.578 GPRESSURE: 1017800 -25.5646 -45.4429 110.79 47.3445 163.785 111.078 199.542 220.443 203.215 PRESSAVG: 1017800 -38.0996 54.3314 50.9023 54.3313 -46.5354 -42.6716 50.9023 -42.6717 88.8116 GPRESSAVG: 1017800 -38.6079 53.791 48.8383 55.7338 -46.9222 -43.5264 53.9624 -41.7331 89.5313 TIMING: 1017800 CPU: 3032.82, 0.00297676/step Wall: 3032.82, 0.00297676/step, 3.29279 hours remaining, 207.542969 MB of memory in use. ENERGY: 1017800 737.4610 2073.8999 1949.2263 115.6391 -206594.1679 17929.5940 0.0000 0.0000 34337.6554 -149450.6922 299.8793 -183788.3477 -149357.3501 299.0336 77.0963 113.8116 556206.2233 1.3922 1.3337 PRESSURE: 1018000 -147.853 104.365 47.9512 104.365 -187.31 -46.4722 47.9508 -46.4725 -131.523 GPRESSURE: 1018000 -118.703 102.432 67.2556 88.6859 -227.694 44.1584 204.083 -83.2712 -20.3094 PRESSAVG: 1018000 22.504 21.3424 34.9356 21.3423 -43.9527 15.6852 34.9356 15.6854 20.4105 GPRESSAVG: 1018000 23.2682 21.9454 38.2723 19.7369 -44.1443 17.1932 32.8503 15.8133 20.0367 TIMING: 1018000 CPU: 3033.42, 0.0029795/step Wall: 3033.42, 0.0029795/step, 3.29566 hours remaining, 207.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1018000 718.7167 2081.5531 1932.2038 129.1834 -206042.1831 17623.7923 0.0000 0.0000 34178.8160 -149377.9178 298.4921 -183556.7338 -149281.7219 299.1935 -155.5619 -122.2357 558298.7498 -0.3461 -0.2798 PRESSURE: 1018200 -179.895 89.5274 -221.562 89.5279 -40.9763 19.6477 -221.562 19.6465 -4.34573 GPRESSURE: 1018200 -147.45 92.7776 -177.594 122.649 25.9896 -71.5158 -196.366 71.7602 -15.801 PRESSAVG: 1018200 -33.1258 31.5859 -32.4201 31.5859 12.4596 15.496 -32.42 15.496 -21.8389 GPRESSAVG: 1018200 -33.2832 31.5358 -35.8165 32.0223 12.2942 13.3588 -32.1645 15.389 -21.9283 TIMING: 1018200 CPU: 3034.01, 0.00295744/step Wall: 3034.01, 0.00295744/step, 3.27109 hours remaining, 207.542969 MB of memory in use. ENERGY: 1018200 751.3241 2096.7308 1933.2601 114.1344 -206399.9479 17868.8211 0.0000 0.0000 34235.8572 -149399.8201 298.9903 -183635.6774 -149309.9326 298.7482 -75.0723 -45.7538 557348.7821 -14.1684 -14.3058 PRESSURE: 1018400 250.294 19.4706 38.514 19.4718 210.807 101.11 38.5143 101.11 30.7681 GPRESSURE: 1018400 272.099 22.7802 -2.32636 -57.0933 222.387 61.8164 83.9243 139.489 90.6294 PRESSAVG: 1018400 22.5765 17.5598 -32.9356 17.5598 -42.9685 31.0911 -32.9356 31.0912 -7.20655 GPRESSAVG: 1018400 21.6932 15.7206 -29.6376 15.751 -42.6956 31.0577 -35.1207 33.1525 -6.57262 TIMING: 1018400 CPU: 3034.6, 0.00295221/step Wall: 3034.6, 0.00295221/step, 3.26514 hours remaining, 207.542969 MB of memory in use. ENERGY: 1018400 763.4408 2084.1286 1919.3341 128.4105 -206580.5137 18053.4425 0.0000 0.0000 34105.0040 -149526.7533 297.8475 -183631.7573 -149434.1126 298.8385 163.9564 195.0384 555059.8188 -9.1995 -9.1917 PRESSURE: 1018600 -82.2765 -206.809 -140.654 -206.809 -22.4825 190.559 -140.654 190.558 43.6599 GPRESSURE: 1018600 -79.427 -206.176 -205.695 -200.501 41.5242 128.27 -112.013 201.33 65.185 PRESSAVG: 1018600 31.808 19.3499 -36.8605 19.3499 3.61798 -8.30203 -36.8605 -8.3022 -4.54477 GPRESSAVG: 1018600 32.4362 22.3142 -37.8668 19.101 3.14118 -7.39728 -37.4265 -11.2404 -5.06498 TIMING: 1018600 CPU: 3035.19, 0.00296383/step Wall: 3035.19, 0.00296383/step, 3.27783 hours remaining, 207.542969 MB of memory in use. ENERGY: 1018600 728.5822 2102.2073 1936.1364 120.9255 -206291.4331 17785.3143 0.0000 0.0000 34174.4780 -149443.7895 298.4542 -183618.2675 -149356.3096 298.7616 -20.3664 9.0941 556657.8571 10.2937 10.1708 PRESSURE: 1018800 -202.663 20.9484 -91.3454 20.9486 -272.916 -38.1412 -91.3462 -38.1402 -120.063 GPRESSURE: 1018800 -108.291 -52.2452 -112.263 -8.14924 -277.67 3.52917 -94.4637 -9.61353 -117.563 PRESSAVG: 1018800 1.05288 -17.5722 -23.47 -17.5724 -19.3701 29.7184 -23.4699 29.7185 -36.4425 GPRESSAVG: 1018800 0.961775 -20.4918 -23.1214 -16.0613 -19.1586 30.9137 -23.3764 32.1457 -35.894 TIMING: 1018800 CPU: 3035.79, 0.00297115/step Wall: 3035.79, 0.00297115/step, 3.28577 hours remaining, 207.542969 MB of memory in use. ENERGY: 1018800 731.4574 2051.2695 1937.5132 101.5180 -206180.4437 17629.1866 0.0000 0.0000 34229.1314 -149500.3676 298.9315 -183729.4990 -149403.4711 298.6880 -198.5472 -167.8411 557418.7683 -18.2532 -18.0303 PRESSURE: 1019000 -144.44 140.838 -22.3047 140.839 63.1219 -64.9474 -22.3041 -64.9472 -154.279 GPRESSURE: 1019000 -89.1079 153.705 -7.31581 105.079 99.496 -217.307 -14.3836 -79.642 -142.516 PRESSAVG: 1019000 24.9044 86.2048 -61.0498 86.2047 5.02293 -4.34173 -61.0497 -4.34174 -97.0281 GPRESSAVG: 1019000 24.3877 87.1417 -63.611 85.3778 6.21808 -8.15671 -59.2518 -4.97349 -98.063 TIMING: 1019000 CPU: 3036.38, 0.00298006/step Wall: 3036.38, 0.00298006/step, 3.29545 hours remaining, 207.542969 MB of memory in use. ENERGY: 1019000 762.5502 2147.2249 1955.7164 101.0491 -206164.2549 17756.3583 0.0000 0.0000 34063.7351 -149377.6209 297.4871 -183441.3560 -149279.0954 298.4249 -78.5323 -44.0427 556513.1307 -22.3669 -22.4857 PRESSURE: 1019200 307.072 192.508 -5.32366 192.507 -231.928 136.618 -5.32276 136.619 56.9006 GPRESSURE: 1019200 297.312 190.322 9.06726 212.604 -201.736 177.926 93.2984 187.733 122.905 PRESSAVG: 1019200 16.3545 -1.0719 -0.606663 -1.07184 -12.8612 39.015 -0.606634 39.015 22.2158 GPRESSAVG: 1019200 15.8822 -0.547984 -0.933408 -0.138741 -13.1235 40.4239 -0.659612 38.5503 22.8441 TIMING: 1019200 CPU: 3036.98, 0.00300125/step Wall: 3036.98, 0.00300125/step, 3.31871 hours remaining, 207.542969 MB of memory in use. ENERGY: 1019200 742.8382 2050.8012 1932.9237 104.4774 -206553.9812 17892.5524 0.0000 0.0000 34298.4042 -149531.9841 299.5365 -183830.3883 -149439.3637 298.5037 44.0150 72.8272 555421.6067 8.5697 8.5343 PRESSURE: 1019400 68.8209 235.115 96.5639 235.115 201.223 -20.6942 96.5634 -20.6954 -46.8109 GPRESSURE: 1019400 136.775 249.892 90.5328 218.326 211.28 -35.4435 73.9773 -24.281 -31.5736 PRESSAVG: 1019400 87.736 48.0913 -21.4933 48.0911 -40.7121 19.8235 -21.4934 19.8236 -55.2684 GPRESSAVG: 1019400 88.0897 47.0873 -21.6028 49.1062 -41.1641 20.9048 -20.1599 19.328 -55.4429 TIMING: 1019400 CPU: 3037.58, 0.0029829/step Wall: 3037.58, 0.0029829/step, 3.29826 hours remaining, 207.542969 MB of memory in use. ENERGY: 1019400 757.8371 2069.2171 1953.2451 117.9220 -206556.8714 18091.6869 0.0000 0.0000 34192.9679 -149373.9952 298.6157 -183566.9631 -149278.7202 298.7741 74.4111 105.4939 556975.7178 -2.7481 -2.8391 PRESSURE: 1019600 20.2242 -59.6143 29.8049 -59.6149 -23.8199 152.789 29.8046 152.788 -280.509 GPRESSURE: 1019600 67.0883 -30.2269 100.214 -106.671 18.1325 96.4658 -34.4198 169.893 -279.464 PRESSAVG: 1019600 5.90572 -29.4934 1.32236 -29.4933 18.7608 13.4866 1.32241 13.4866 -15.7379 GPRESSAVG: 1019600 6.16954 -30.1258 1.89489 -30.9734 17.4123 12.3773 -0.0253066 12.8143 -15.6358 TIMING: 1019600 CPU: 3038.17, 0.00296072/step Wall: 3038.17, 0.00296072/step, 3.27357 hours remaining, 207.542969 MB of memory in use. ENERGY: 1019600 744.6650 2101.7271 1932.2592 131.7669 -206420.6891 17789.6126 0.0000 0.0000 34287.1270 -149433.5312 299.4380 -183720.6582 -149339.8882 299.1863 -94.7014 -64.7475 557770.5325 2.9762 2.6487 PRESSURE: 1019800 -3.08667 67.9083 97.2133 67.9078 -1.32066 34.5022 97.2122 34.5026 135.785 GPRESSURE: 1019800 13.9976 21.3209 94.1925 56.508 49.5947 41.3828 167.756 60.2993 168.963 PRESSAVG: 1019800 7.37021 -43.9778 20.8175 -43.9778 -27.1043 18.2212 20.8175 18.2211 -6.92269 GPRESSAVG: 1019800 7.14516 -44.9148 23.2189 -43.9655 -25.2529 19.541 20.8942 18.5389 -8.28964 TIMING: 1019800 CPU: 3038.76, 0.0029526/step Wall: 3038.76, 0.0029526/step, 3.26443 hours remaining, 207.542969 MB of memory in use. ENERGY: 1019800 761.9172 2074.0673 1947.9052 111.4142 -206844.0496 18059.5956 0.0000 0.0000 34310.3096 -149578.8405 299.6405 -183889.1501 -149484.7732 299.0581 43.7925 77.5184 557029.4981 -8.8856 -8.7991 PRESSURE: 1020000 -271.838 11.488 -36.4025 11.4882 -236.642 -5.62212 -36.403 -5.62253 -50.1885 GPRESSURE: 1020000 -240.302 -43.0785 -51.1917 -61.4202 -171.689 -3.74124 48.8675 102.028 -61.2645 PRESSAVG: 1020000 -46.2562 -4.62759 -36.4814 -4.62765 -33.0948 37.3046 -36.4813 37.3046 49.6158 GPRESSAVG: 1020000 -46.9069 -2.84304 -38.8348 -5.47131 -33.6519 38.599 -35.0826 38.5799 51.365 TIMING: 1020000 CPU: 3039.35, 0.0029426/step Wall: 3039.35, 0.0029426/step, 3.25321 hours remaining, 207.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1020000 725.6346 2083.6477 1918.5151 108.9527 -206246.0400 17501.9872 0.0000 0.0000 34410.5075 -149496.7952 300.5155 -183907.3027 -149401.2631 298.2383 -186.2228 -157.7520 557258.7574 -9.9117 -9.7313 PRESSURE: 1020200 -18.7144 27.9374 -54.3874 27.938 -151.109 28.5951 -54.3884 28.5956 -208.754 GPRESSURE: 1020200 30.0834 -17.2844 2.92831 128.007 -122.728 32.4731 19.677 104.143 -186.07 PRESSAVG: 1020200 38.7353 6.66718 -26.7238 6.66711 -48.2118 6.33784 -26.7238 6.3378 50.6035 GPRESSAVG: 1020200 39.7524 3.86198 -26.391 7.2337 -48.6087 6.32753 -27.1815 5.4163 50.335 TIMING: 1020200 CPU: 3039.94, 0.0029637/step Wall: 3039.94, 0.0029637/step, 3.27637 hours remaining, 207.542969 MB of memory in use. ENERGY: 1020200 748.2748 2116.1321 1932.1679 115.4035 -206100.7770 17595.6218 0.0000 0.0000 34181.3712 -149411.8057 298.5144 -183593.1769 -149312.0744 298.9616 -126.1926 -92.9048 557811.1456 13.7090 13.8262 LDB: ============= START OF LOAD BALANCING ============== 3043.49 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3043.49 LDB: =============== DONE WITH MIGRATION ================ 3043.49 LDB: ============= START OF LOAD BALANCING ============== 3043.79 LDB: Largest compute 4773 load 0.026373 is 22.3% of average load 0.118200 LDB: Average compute 0.001726 is 1.5% of average load 0.118200 LDB: TIME 3043.79 LOAD: AVG 0.1182 MAX 0.207027 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.348 MB LDB: TIME 3043.79 LOAD: AVG 0.1182 MAX 0.207027 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: TIME 3043.79 LOAD: AVG 0.1182 MAX 0.207027 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3043.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3043.8 PRESSURE: 1020400 51.8965 -24.2765 -11.8299 -24.2765 -49.7047 -122.592 -11.8286 -122.591 234.856 GPRESSURE: 1020400 79.6684 -52.7318 17.4459 -88.8255 -6.13894 -120.418 -56.6642 -73.2751 262.395 PRESSAVG: 1020400 -32.7992 -13.1487 -14.2023 -13.1486 -1.20712 -29.6294 -14.2022 -29.6294 63.7728 GPRESSAVG: 1020400 -32.4785 -8.91118 -12.5825 -15.6631 0.203631 -31.1511 -15.233 -29.6418 62.1022 TIMING: 1020400 CPU: 3040.55, 0.00301999/step Wall: 3040.55, 0.00301999/step, 3.33844 hours remaining, 206.308594 MB of memory in use. ENERGY: 1020400 741.2319 2114.7403 1956.1921 108.9686 -206493.9428 17894.1120 0.0000 0.0000 34382.9420 -149295.7560 300.2748 -183678.6980 -149202.5889 299.1331 79.0158 111.9748 557462.2998 9.9222 9.9425 PRESSURE: 1020600 -250.053 27.5658 153.43 27.567 111.731 148.877 153.431 148.878 140.771 GPRESSURE: 1020600 -238.638 84.9178 176.144 73.0439 187.283 138.767 133.896 178.84 150.097 PRESSAVG: 1020600 -46.1559 -52.7467 65.0506 -52.7467 -39.7552 -50.7693 65.0506 -50.7691 123.816 GPRESSAVG: 1020600 -47.1456 -54.9693 62.5874 -49.9032 -39.7774 -50.0048 67.233 -49.6853 124.97 TIMING: 1020600 CPU: 3041.14, 0.0029557/step Wall: 3041.14, 0.0029557/step, 3.2672 hours remaining, 206.511719 MB of memory in use. ENERGY: 1020600 756.4859 2077.4711 1926.9198 109.6063 -206154.8456 17810.0987 0.0000 0.0000 34084.2105 -149390.0534 297.6659 -183474.2639 -149295.9918 299.0398 0.8165 32.9144 556669.9167 12.6350 12.6823 PRESSURE: 1020800 -440.38 42.2083 71.0776 42.2088 104.256 57.8045 71.0768 57.8037 246.585 GPRESSURE: 1020800 -398.521 -41.4393 129.197 -26.6814 64.5495 60.8202 0.578457 75.4289 350.828 PRESSAVG: 1020800 -57.6394 -14.0624 32.6609 -14.0623 5.13282 44.7341 32.6609 44.7341 45.4003 GPRESSAVG: 1020800 -58.017 -14.8739 34.9251 -14.435 5.20706 45.4033 30.128 43.7896 45.7601 TIMING: 1020800 CPU: 3041.74, 0.0029845/step Wall: 3041.74, 0.0029845/step, 3.29887 hours remaining, 206.511719 MB of memory in use. ENERGY: 1020800 715.9060 2040.4751 1909.5562 111.8197 -205976.6300 17642.2317 0.0000 0.0000 34032.7512 -149523.8901 297.2165 -183556.6413 -149425.0568 298.5582 -29.8464 5.6190 556944.2771 -2.3688 -2.3499 PRESSURE: 1021000 58.3355 -61.6604 35.7099 -61.6621 -139.517 -26.3974 35.7111 -26.3976 -209.366 GPRESSURE: 1021000 95.5763 -64.343 83.8157 -99.7741 -64.6471 -30.931 -47.7758 20.7484 -215.71 PRESSAVG: 1021000 -54.9139 8.83214 19.3232 8.832 -13.1831 -5.94125 19.3233 -5.94128 40.2833 GPRESSAVG: 1021000 -55.9811 8.8958 17.3371 10.0101 -13.4711 -5.53232 19.8413 -6.08495 41.2694 TIMING: 1021000 CPU: 3042.34, 0.00299691/step Wall: 3042.34, 0.00299691/step, 3.31242 hours remaining, 206.511719 MB of memory in use. ENERGY: 1021000 763.3668 2055.0257 1928.8906 114.1687 -206759.1150 18040.9466 0.0000 0.0000 34150.8394 -149705.8772 298.2478 -183856.7165 -149610.4317 297.3787 -96.8491 -61.5937 557642.4270 -9.2712 -9.3943 PRESSURE: 1021200 103.955 103.748 -45.7183 103.748 94.0639 -21.7592 -45.7175 -21.7602 40.9399 GPRESSURE: 1021200 88.2197 43.4212 -23.4852 72.6046 207.903 4.02938 -25.3198 -42.6353 44.0153 PRESSAVG: 1021200 36.8967 14.8477 -5.93386 14.8477 -13.4475 -27.7989 -5.934 -27.7988 -13.1683 GPRESSAVG: 1021200 38.1257 16.4324 -4.7943 14.0744 -13.9456 -28.5808 -5.08587 -28.6925 -14.1129 TIMING: 1021200 CPU: 3042.93, 0.00297638/step Wall: 3042.93, 0.00297638/step, 3.28956 hours remaining, 206.511719 MB of memory in use. ENERGY: 1021200 735.2314 2095.5874 1955.9666 109.8008 -206694.2526 18053.6506 0.0000 0.0000 34124.7922 -149619.2236 298.0203 -183744.0158 -149523.7637 297.6853 79.6530 113.3794 556722.4240 3.4270 3.3557 PRESSURE: 1021400 -257.233 191.558 12.36 191.557 1.17063 -76.1675 12.3593 -76.1684 -96.297 GPRESSURE: 1021400 -242.802 111.812 38.637 170.505 90.5979 -33.7027 46.1596 -90.2623 -102.345 PRESSAVG: 1021400 -25.8463 -4.69433 -12.7286 -4.69439 36.3255 -21.3332 -12.7286 -21.3332 -2.16463 GPRESSAVG: 1021400 -26.0882 -3.19564 -14.4226 -5.21375 37.1638 -22.1115 -12.8605 -20.6936 -2.73507 TIMING: 1021400 CPU: 3043.53, 0.00298868/step Wall: 3043.53, 0.00298868/step, 3.30299 hours remaining, 206.511719 MB of memory in use. ENERGY: 1021400 763.3453 1992.0399 1927.6746 111.7713 -206336.5596 17807.7439 0.0000 0.0000 34124.5426 -149609.4420 298.0181 -183733.9847 -149513.2166 297.9391 -117.4533 -84.8498 557191.4888 2.7715 2.7802 PRESSURE: 1021600 -11.8893 44.5189 -83.3051 44.5194 177.882 23.6516 -83.3053 23.6517 -49.1857 GPRESSURE: 1021600 11.4717 -39.5943 21.1037 131.814 199.186 9.62494 -147.011 39.2154 -7.48938 PRESSAVG: 1021600 54.257 -7.29838 2.60783 -7.29841 -45.5457 5.89272 2.60776 5.89274 -66.2228 GPRESSAVG: 1021600 54.498 -8.15539 3.89057 -8.19468 -45.5625 5.8943 2.61677 6.80705 -66.4039 TIMING: 1021600 CPU: 3044.13, 0.00300348/step Wall: 3044.13, 0.00300348/step, 3.31918 hours remaining, 206.511719 MB of memory in use. ENERGY: 1021600 763.9322 2084.2460 1917.2010 103.0240 -206337.6845 17733.9124 0.0000 0.0000 34140.5180 -149594.8508 298.1576 -183735.3689 -149494.8769 298.3369 38.9358 67.7228 556117.4964 -19.1705 -19.1561 PRESSURE: 1021800 -287.383 30.8083 -62.8501 30.8078 -267.09 173.752 -62.8505 173.752 -22.6428 GPRESSURE: 1021800 -249.402 38.6722 -48.0683 42.4456 -264.592 244.428 -66.0734 132.488 40.9562 PRESSAVG: 1021800 28.3175 7.99869 -49.8227 7.99871 -90.6383 -21.1869 -49.8227 -21.1869 60.8656 GPRESSAVG: 1021800 27.5916 6.95024 -49.7779 7.2996 -90.4047 -20.2315 -49.8722 -20.8872 60.9678 TIMING: 1021800 CPU: 3044.73, 0.00297692/step Wall: 3044.73, 0.00297692/step, 3.28966 hours remaining, 206.511719 MB of memory in use. ENERGY: 1021800 738.0938 2084.1499 1920.9741 132.8236 -206172.7276 17536.1467 0.0000 0.0000 34193.8667 -149566.6728 298.6235 -183760.5395 -149471.2952 298.0879 -192.3718 -157.6792 556359.0037 -0.4851 -0.6151 PRESSURE: 1022000 289.264 48.1933 -12.8268 48.1925 -297.923 -12.9328 -12.8258 -12.9331 69.6707 GPRESSURE: 1022000 279.897 88.0446 -22.1867 28.4399 -245.417 -43.0319 -1.76277 -69.551 130.512 PRESSAVG: 1022000 -59.964 19.3061 -37.4475 19.3061 -38.6626 6.42115 -37.4476 6.42114 89.7949 GPRESSAVG: 1022000 -60.3793 18.193 -36.4555 20.8745 -38.9891 5.25629 -37.9954 6.03622 90.7738 TIMING: 1022000 CPU: 3045.32, 0.00298769/step Wall: 3045.32, 0.00298769/step, 3.3014 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1022000 739.3927 2112.7267 1941.9016 111.8695 -206331.8195 17795.9192 0.0000 0.0000 34168.9919 -149461.0178 298.4063 -183630.0097 -149364.9359 299.0286 20.3374 54.9971 556348.4657 -2.9439 -2.8648 PRESSURE: 1022200 58.4135 92.2217 55.2138 92.2229 198.356 73.702 55.2128 73.7004 151.535 GPRESSURE: 1022200 78.8833 152.271 64.6011 78.6446 250.185 -54.2637 47.7419 52.4509 177.897 PRESSAVG: 1022200 -42.3061 -16.013 19.2765 -16.0131 9.86865 -21.1513 19.2766 -21.1514 48.549 GPRESSAVG: 1022200 -40.8826 -15.1653 19.3424 -16.5378 9.30503 -20.7378 18.5053 -21.7825 47.6363 TIMING: 1022200 CPU: 3045.92, 0.0029761/step Wall: 3045.92, 0.0029761/step, 3.28842 hours remaining, 206.511719 MB of memory in use. ENERGY: 1022200 700.7941 2120.1142 1935.6750 104.0501 -206525.7332 18071.3117 0.0000 0.0000 34285.7633 -149308.0249 299.4261 -183593.7882 -149208.1973 299.3560 136.1017 168.9886 557021.5051 5.3705 5.3529 PRESSURE: 1022400 -114.358 55.833 0.211449 55.8352 -10.5178 206.926 0.213426 206.926 -291.235 GPRESSURE: 1022400 -53.8679 87.7318 22.3368 120.297 -46.8806 216.17 -16.6646 153.044 -207.891 PRESSAVG: 1022400 39.1996 32.1353 -49.5488 32.1353 15.2593 43.293 -49.5487 43.2931 -37.7821 GPRESSAVG: 1022400 38.3431 31.3109 -51.6732 33.2444 15.5734 41.4371 -46.886 44.5784 -37.2351 TIMING: 1022400 CPU: 3046.51, 0.00296585/step Wall: 3046.51, 0.00296585/step, 3.27693 hours remaining, 206.511719 MB of memory in use. ENERGY: 1022400 723.7662 2091.2514 1944.9043 126.0206 -205981.2027 17682.5773 0.0000 0.0000 34218.7807 -149193.9023 298.8411 -183412.6830 -149100.6147 298.6777 -138.7037 -102.8799 558120.3733 5.5590 5.5605 PRESSURE: 1022600 -420.013 -93.3703 -37.7257 -93.3699 -300.438 49.524 -37.7253 49.5238 -195.266 GPRESSURE: 1022600 -438.622 -50.3673 38.4247 -169.006 -231.127 -54.5733 -32.9106 89.1431 -139.783 PRESSAVG: 1022600 -6.9135 -27.2639 -16.9205 -27.2638 15.0079 34.7908 -16.9206 34.7909 -45.7164 GPRESSAVG: 1022600 -5.95825 -25.7309 -17.2259 -29.3085 13.8183 37.4336 -17.8373 32.8911 -45.7347 TIMING: 1022600 CPU: 3047.1, 0.00296546/step Wall: 3047.1, 0.00296546/step, 3.27634 hours remaining, 206.511719 MB of memory in use. ENERGY: 1022600 751.3093 2104.4441 1942.9615 108.5257 -205470.6287 17230.5405 0.0000 0.0000 34272.3208 -149060.5269 299.3087 -183332.8476 -148965.4535 298.9181 -305.2389 -269.8441 558728.3135 -12.5407 -12.6249 PRESSURE: 1022800 79.5668 -3.02621 77.9544 -3.02812 170.764 40.5702 77.9546 40.5704 53.138 GPRESSURE: 1022800 125.707 -21.0156 97.6955 6.86471 209.72 60.7934 -54.9438 61.1319 53.5729 PRESSAVG: 1022800 36.3435 -18.9483 -45.7408 -18.9483 24.0826 34.8689 -45.7407 34.8689 -21.9377 GPRESSAVG: 1022800 34.992 -18.4256 -46.0646 -17.5962 25.5468 34.0006 -44.7682 35.0806 -21.8721 TIMING: 1022800 CPU: 3047.7, 0.00297964/step Wall: 3047.7, 0.00297964/step, 3.29184 hours remaining, 206.511719 MB of memory in use. ENERGY: 1022800 777.1320 2064.5490 1943.7792 103.8067 -206056.8647 18040.1562 0.0000 0.0000 33966.1087 -149161.3330 296.6345 -183127.4416 -149066.9295 299.3656 101.1561 129.6666 558842.9147 12.8295 12.8889 PRESSURE: 1023000 -34.774 170.613 -13.6618 170.614 102.542 -44.9863 -13.663 -44.9855 -232.57 GPRESSURE: 1023000 -4.02727 108.484 -69.9408 76.8649 112.426 47.3276 -19.1451 -24.0704 -184.309 PRESSAVG: 1023000 21.7901 -15.9736 -13.6323 -15.9738 -45.7256 93.298 -13.6323 93.298 26.8435 GPRESSAVG: 1023000 22.2465 -16.3005 -11.9912 -14.0656 -45.386 94.9367 -14.8108 92.2386 26.4274 TIMING: 1023000 CPU: 3048.3, 0.00297808/step Wall: 3048.3, 0.00297808/step, 3.28995 hours remaining, 206.511719 MB of memory in use. ENERGY: 1023000 728.5372 2060.5195 1964.2642 105.7234 -205969.2074 17848.8882 0.0000 0.0000 34146.5139 -149114.7610 298.2100 -183261.2749 -149017.2180 299.0450 -54.9342 -25.3033 558683.9570 0.9693 1.0960 PRESSURE: 1023200 -52.5062 11.6529 12.1265 11.6539 58.0681 -22.7529 12.1274 -22.7517 -144.411 GPRESSURE: 1023200 -60.5549 -4.68618 -42.2983 112.608 101.175 -90.1264 -16.86 74.0862 -95.0166 PRESSAVG: 1023200 35.5675 48.2727 13.1066 48.2728 6.69418 -2.71461 13.1066 -2.71455 -26.2809 GPRESSAVG: 1023200 34.4276 46.6603 11.0883 46.8481 7.10593 -2.17769 12.6448 -1.25944 -26.1604 TIMING: 1023200 CPU: 3048.9, 0.00299975/step Wall: 3048.9, 0.00299975/step, 3.31372 hours remaining, 206.511719 MB of memory in use. ENERGY: 1023200 719.7665 2050.2838 1921.3801 123.7083 -205800.2777 17683.5632 0.0000 0.0000 34260.1985 -149041.3772 299.2028 -183301.5757 -148948.0806 299.5323 -46.2829 -18.1323 558448.9620 5.3269 5.1244 PRESSURE: 1023400 -88.4246 44.3475 -19.1041 44.347 -64.0201 -18.0884 -19.1046 -18.0895 14.6804 GPRESSURE: 1023400 -50.48 -10.7452 -29.1371 74.0519 -22.9388 -69.1617 31.0579 63.0296 40.4538 PRESSAVG: 1023400 -43.3831 81.962 7.02606 81.962 -47.1949 -4.93165 7.02608 -4.93152 75.9291 GPRESSAVG: 1023400 -41.9941 83.1574 9.88446 81.0065 -48.6296 -8.14855 6.05799 -4.72209 76.6404 TIMING: 1023400 CPU: 3049.49, 0.00298722/step Wall: 3049.49, 0.00298722/step, 3.29972 hours remaining, 206.511719 MB of memory in use. ENERGY: 1023400 749.6189 2031.6035 1930.7650 114.5274 -205664.3577 17596.6538 0.0000 0.0000 34282.7628 -148958.4263 299.3999 -183241.1891 -148864.4655 300.1818 -45.9214 -10.9883 556369.9505 -4.8830 -4.6611 PRESSURE: 1023600 75.2124 0.954534 29.4749 0.955766 35.0882 52.3738 29.4753 52.3742 -88.6715 GPRESSURE: 1023600 132.656 -3.43458 104.556 -1.63652 7.16992 45.4992 -41.3512 120.359 -3.10762 PRESSAVG: 1023600 44.3345 -12.3003 -35.7482 -12.3004 -61.0584 25.0943 -35.7481 25.0943 5.72968 GPRESSAVG: 1023600 42.6494 -12.4235 -38.3133 -10.6612 -59.8899 26.3906 -33.3979 24.8951 6.31361 TIMING: 1023600 CPU: 3050.09, 0.00297901/step Wall: 3050.09, 0.00297901/step, 3.29048 hours remaining, 206.511719 MB of memory in use. ENERGY: 1023600 744.5434 2074.7112 1944.2436 98.0009 -205996.7018 17634.9593 0.0000 0.0000 34512.7759 -148987.4676 301.4087 -183500.2435 -148891.1711 300.1353 7.2097 45.5729 555656.8044 -3.6647 -3.6423 PRESSURE: 1023800 262.897 -72.2032 -89.4605 -72.2031 -136.538 8.2924 -89.4604 8.29294 -31.1808 GPRESSURE: 1023800 243.895 33.2311 -98.1365 -114.061 -58.9524 -24.6198 -93.6977 -10.3804 10.1329 PRESSAVG: 1023800 61.0741 -51.8464 -48.2522 -51.8464 -2.7454 31.9381 -48.2522 31.9379 -15.7651 GPRESSAVG: 1023800 62.8858 -53.8739 -46.7703 -50.7557 -4.26588 32.6986 -49.5364 30.7416 -16.3946 TIMING: 1023800 CPU: 3050.69, 0.00299323/step Wall: 3050.69, 0.00299323/step, 3.30602 hours remaining, 206.511719 MB of memory in use. ENERGY: 1023800 742.1378 2106.5250 1928.6776 94.5937 -205785.4773 17492.0248 0.0000 0.0000 34372.9164 -149048.6020 300.1872 -183421.5184 -148952.8466 300.4380 31.7262 65.0252 557604.1690 14.1879 14.0751 PRESSURE: 1024000 -73.3555 -44.1786 -63.2205 -44.1763 -78.0646 -29.3513 -63.2211 -29.3512 -115.209 GPRESSURE: 1024000 -22.5526 63.0012 -106.184 -85.1413 -43.0251 -38.241 -58.2623 -49.557 -107.618 PRESSAVG: 1024000 19.7844 -20.8076 14.6857 -20.8077 4.04972 47.4682 14.6857 47.4682 -26.3462 GPRESSAVG: 1024000 18.5995 -18.363 15.2706 -23.5983 5.39497 46.2871 13.4539 48.431 -26.0246 TIMING: 1024000 CPU: 3051.29, 0.00300063/step Wall: 3051.29, 0.00300063/step, 3.31403 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1024000 746.3562 2178.8407 1927.6603 111.2140 -205939.6236 17713.3227 0.0000 0.0000 34167.1433 -149095.0862 298.3902 -183262.2295 -149003.2179 299.6110 -88.8764 -57.7320 557798.7268 -0.8374 -0.6767 PRESSURE: 1024200 26.9292 123.272 -155.227 123.272 279.592 -69.9421 -155.226 -69.9411 -43.0683 GPRESSURE: 1024200 118.048 150.816 -213 5.33209 295.293 -38.9454 -162.877 -39.5467 -58.9738 PRESSAVG: 1024200 -36.4685 119.214 -57.5 119.214 53.8296 46.7977 -57.4999 46.7978 -0.359304 GPRESSAVG: 1024200 -35.6938 120.551 -58.6732 118.823 54.1695 49.3516 -57.1582 46.6204 -1.67577 TIMING: 1024200 CPU: 3051.89, 0.00303408/step Wall: 3051.89, 0.00303408/step, 3.35081 hours remaining, 206.511719 MB of memory in use. ENERGY: 1024200 741.6525 2052.9647 1929.9990 110.6103 -206319.9727 17895.7983 0.0000 0.0000 34402.1939 -149186.7540 300.4429 -183588.9479 -149097.3760 299.9741 87.8177 118.1223 556477.2577 5.6673 5.6000 LDB: ============= START OF LOAD BALANCING ============== 3055.45 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3055.45 LDB: =============== DONE WITH MIGRATION ================ 3055.45 LDB: ============= START OF LOAD BALANCING ============== 3055.75 LDB: Largest compute 4773 load 0.026185 is 22.1% of average load 0.118271 LDB: Average compute 0.001716 is 1.5% of average load 0.118271 LDB: TIME 3055.76 LOAD: AVG 0.118271 MAX 0.212952 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.82 MB LDB: TIME 3055.76 LOAD: AVG 0.118271 MAX 0.212952 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.055 MB LDB: TIME 3055.76 LOAD: AVG 0.118271 MAX 0.212952 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.055 MB LDB: ============== END OF LOAD BALANCING =============== 3055.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3055.76 PRESSURE: 1024400 185.759 204.308 80.6299 204.309 283.611 -45.2646 80.6298 -45.2629 100.865 GPRESSURE: 1024400 203.104 228.387 71.8188 205.652 288.304 -124.46 153.512 -90.88 177.922 PRESSAVG: 1024400 18.2362 58.6046 18.1249 58.6045 -8.76576 23.7695 18.1249 23.7695 -10.7772 GPRESSAVG: 1024400 17.3337 59.8502 18.2662 58.0989 -9.57337 20.3518 17.8088 24.2037 -9.13932 TIMING: 1024400 CPU: 3052.51, 0.00308532/step Wall: 3052.51, 0.00308532/step, 3.40722 hours remaining, 206.445312 MB of memory in use. ENERGY: 1024400 728.6166 2025.5799 1952.0237 102.0426 -206099.5483 17789.3506 0.0000 0.0000 34540.0248 -148961.9100 301.6466 -183501.9349 -148872.6394 300.3143 190.0785 223.1099 556316.5494 -0.4356 -0.4597 PRESSURE: 1024600 99.8218 -73.6713 -55.5972 -73.6712 -279.387 -212.982 -55.597 -212.982 -47.2631 GPRESSURE: 1024600 136.973 -121.721 -8.37019 -86.1579 -219.951 -183.954 -93.9383 -166.542 -53.8342 PRESSAVG: 1024600 88.0034 23.8473 -8.1121 23.8474 -78.6769 -55.4316 -8.11217 -55.4317 -17.6547 GPRESSAVG: 1024600 88.5186 17.9744 -8.17583 27.5261 -78.2496 -52.9388 -7.93805 -55.7364 -18.5159 TIMING: 1024600 CPU: 3053.1, 0.00296572/step Wall: 3053.1, 0.00296572/step, 3.27498 hours remaining, 206.703125 MB of memory in use. ENERGY: 1024600 753.3246 2083.1213 1930.8877 114.9382 -205830.3795 17594.8731 0.0000 0.0000 34364.0619 -148989.1727 300.1099 -183353.2346 -148892.9624 300.3861 -75.6095 -45.6041 557400.6142 -2.7761 -2.7490 PRESSURE: 1024800 -66.1965 -65.4221 80.3578 -65.4225 -33.8792 -20.657 80.359 -20.6556 -106.385 GPRESSURE: 1024800 -14.1798 -40.8071 136.127 -57.8027 -5.6307 -37.9519 87.6307 -41.6988 -90.9897 PRESSAVG: 1024800 94.3347 -23.6139 -21.3683 -23.6139 -15.9251 -85.4646 -21.3682 -85.4646 14.5072 GPRESSAVG: 1024800 94.4351 -20.3961 -20.7669 -24.1781 -16.8893 -86.749 -22.0191 -85.8008 14.8836 TIMING: 1024800 CPU: 3053.7, 0.00295843/step Wall: 3053.7, 0.00295843/step, 3.26677 hours remaining, 206.703125 MB of memory in use. ENERGY: 1024800 741.0211 2075.2269 1925.1120 116.6011 -206077.8235 17676.2064 0.0000 0.0000 34395.9074 -149147.7485 300.3880 -183543.6559 -149051.2753 300.7544 -68.8203 -36.9334 558056.3869 30.9722 30.8098 PRESSURE: 1025000 -220.581 25.6901 -91.8004 25.6904 -6.94111 -33.0415 -91.8005 -33.0415 143.25 GPRESSURE: 1025000 -215.443 42.2405 -46.6667 56.3102 27.0584 5.5147 -72.9906 23.6779 195.49 PRESSAVG: 1025000 -9.19862 9.92107 -23.2006 9.92114 -27.001 -39.6067 -23.2006 -39.6066 4.1844 GPRESSAVG: 1025000 -8.96231 9.88573 -23.9333 9.05941 -26.8563 -38.76 -22.7346 -39.8231 3.64951 TIMING: 1025000 CPU: 3054.29, 0.0029802/step Wall: 3054.29, 0.0029802/step, 3.29064 hours remaining, 206.703125 MB of memory in use. ENERGY: 1025000 752.2903 2013.0144 1955.5441 105.4758 -206457.7644 17885.6938 0.0000 0.0000 34514.9925 -149230.7535 301.4280 -183745.7459 -149132.2179 298.7591 -28.0907 2.3684 557440.3303 -10.6717 -10.7230 PRESSURE: 1025200 -52.5726 -98.8865 -130.065 -98.8864 -479.12 -59.5187 -130.065 -59.5194 -315.112 GPRESSURE: 1025200 -46.3786 -40.8138 -118.289 -120.557 -412.319 -103.078 -71.1032 -19.9492 -282.819 PRESSAVG: 1025200 -6.34683 -37.9935 39.27 -37.9934 28.7079 30.7215 39.2699 30.7215 16.5944 GPRESSAVG: 1025200 -6.75744 -37.6344 39.9452 -39.6984 28.5082 29.7545 38.8903 32.1307 16.9827 TIMING: 1025200 CPU: 3054.89, 0.00296947/step Wall: 3054.89, 0.00296947/step, 3.27862 hours remaining, 206.703125 MB of memory in use. ENERGY: 1025200 752.4383 2118.2990 1944.5138 112.1251 -205852.2616 17450.5012 0.0000 0.0000 34226.3820 -149248.0022 298.9075 -183474.3842 -149154.7005 299.9461 -282.2682 -247.1721 557925.1363 12.9852 12.9112 PRESSURE: 1025400 -180.952 16.9337 47.4036 16.9324 -285.817 30.0151 47.4031 30.0163 -333.657 GPRESSURE: 1025400 -194.367 18.139 90.0493 51.5298 -221.844 21.181 52.1704 3.74796 -281.161 PRESSAVG: 1025400 55.4762 -12.6796 -16.8637 -12.6796 -32.0582 4.60425 -16.8636 4.60428 -17.8843 GPRESSAVG: 1025400 55.0872 -13.6474 -15.6846 -11.0515 -32.4537 5.84357 -17.0118 3.79455 -16.9386 TIMING: 1025400 CPU: 3055.48, 0.00296495/step Wall: 3055.48, 0.00296495/step, 3.27347 hours remaining, 206.703125 MB of memory in use. ENERGY: 1025400 776.6813 2059.9140 1923.3139 97.4319 -205817.7101 17460.4123 0.0000 0.0000 34236.5206 -149263.4361 298.9960 -183499.9567 -149162.2374 299.8761 -266.8089 -232.4571 558671.8413 1.8446 1.8983 PRESSURE: 1025600 -123.276 -29.9268 50.6242 -29.9274 61.822 120.043 50.6253 120.042 -260.024 GPRESSURE: 1025600 -91.9829 -99.4797 16.5703 39.2199 82.189 38.9394 118.054 78.9214 -210.286 PRESSAVG: 1025600 -28.6113 -18.456 56.6406 -18.456 3.06 16.9688 56.6406 16.9687 -6.43493 GPRESSAVG: 1025600 -28.3752 -17.8577 56.248 -20.4777 4.66178 17.3907 56.2035 15.903 -7.86351 TIMING: 1025600 CPU: 3056.08, 0.0029943/step Wall: 3056.08, 0.0029943/step, 3.30571 hours remaining, 206.703125 MB of memory in use. ENERGY: 1025600 777.4167 2116.9769 1919.1511 104.6180 -206257.9328 17596.8183 0.0000 0.0000 34437.1992 -149305.7526 300.7486 -183742.9518 -149208.8252 299.7956 -107.1591 -73.3600 557326.9082 -10.6621 -10.5256 PRESSURE: 1025800 -6.81298 2.85543 -125.139 2.85724 155.027 -64.9987 -125.138 -64.9979 98.585 GPRESSURE: 1025800 12.5171 -67.705 -93.5705 35.307 214.243 -105.835 -24.3649 -41.1568 116.384 PRESSAVG: 1025800 -27.8486 30.5546 -0.00859302 30.5546 37.6477 -11.4083 -0.00853498 -11.4082 14.8831 GPRESSAVG: 1025800 -27.1881 29.9171 -1.27536 31.5671 35.8136 -12.6634 1.97907 -10.4412 15.5959 TIMING: 1025800 CPU: 3056.68, 0.00300274/step Wall: 3056.68, 0.00300274/step, 3.31485 hours remaining, 206.703125 MB of memory in use. ENERGY: 1025800 782.5683 2073.0857 1970.3360 117.1640 -206667.2289 18149.2605 0.0000 0.0000 34316.4028 -149258.4116 299.6937 -183574.8144 -149164.8131 299.7761 82.2663 114.3814 556817.2100 8.2274 8.0738 PRESSURE: 1026000 118.39 23.3249 -38.5607 23.3247 -57.1308 91.5788 -38.5613 91.5787 405.229 GPRESSURE: 1026000 182.342 102.957 -99.4259 -45.2641 -36.7838 27.9339 -65.0225 114.077 401.779 PRESSAVG: 1026000 -14.5194 38.9644 14.167 38.9644 19.0372 8.34157 14.1671 8.34157 -8.73273 GPRESSAVG: 1026000 -15.8441 40.8087 15.5064 38.8295 20.3702 9.12799 11.84 9.31157 -8.96772 TIMING: 1026000 CPU: 3057.27, 0.00297879/step Wall: 3057.27, 0.00297879/step, 3.28825 hours remaining, 206.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1026000 750.6413 2075.2717 1926.9835 117.0502 -206668.3503 18212.9679 0.0000 0.0000 34347.3321 -149238.1035 299.9638 -183585.4356 -149135.0207 299.8029 155.4962 182.4459 556925.7689 -1.4050 -1.4805 PRESSURE: 1026200 -104.145 -8.64587 50.0741 -8.64531 161.76 85.3497 50.0754 85.3499 -76.8687 GPRESSURE: 1026200 -130.682 -66.0082 44.7995 -7.31212 216.874 22.4772 15.6571 190.938 0.738025 PRESSAVG: 1026200 3.51144 -31.3466 12.7226 -31.3465 5.72423 32.2714 12.7227 32.2716 22.9879 GPRESSAVG: 1026200 4.16591 -34.2825 12.4792 -29.647 6.04997 30.0257 13.2467 32.9522 22.6746 TIMING: 1026200 CPU: 3057.88, 0.00301815/step Wall: 3057.88, 0.00301815/step, 3.33153 hours remaining, 206.703125 MB of memory in use. ENERGY: 1026200 733.2298 2075.3393 1910.4855 115.0679 -205727.5344 17678.3605 0.0000 0.0000 34032.3537 -149182.6977 297.2130 -183215.0513 -149089.4973 299.2749 -6.4177 28.9769 557483.5703 10.7412 10.9635 PRESSURE: 1026400 -27.0533 -84.1342 41.5957 -84.1359 -215.884 -67.3298 41.5962 -67.3291 -94.705 GPRESSURE: 1026400 -7.08619 -31.0038 42.6092 -185.66 -182.235 30.713 34.2739 -90.1467 -54.8781 PRESSAVG: 1026400 -10.1621 -3.6476 28.7567 -3.64753 7.26617 -12.7161 28.7568 -12.7159 13.1186 GPRESSAVG: 1026400 -9.2346 -4.64274 27.6217 -2.15244 6.00334 -9.02543 31.4931 -15.4296 13.6895 TIMING: 1026400 CPU: 3058.47, 0.00297631/step Wall: 3058.47, 0.00297631/step, 3.28519 hours remaining, 206.703125 MB of memory in use. ENERGY: 1026400 769.7152 2047.0085 1934.5774 120.1577 -205959.7711 17718.6169 0.0000 0.0000 34162.9075 -149206.7878 298.3532 -183369.6953 -149105.8313 299.1582 -112.5476 -81.3997 559179.8070 3.4075 3.4861 PRESSURE: 1026600 176.731 -122.425 114.92 -122.424 -195.548 -104.616 114.92 -104.617 32.6293 GPRESSURE: 1026600 230.99 -195.097 158.001 -17.5274 -143.287 -75.8066 113.938 -113.429 32.7316 PRESSAVG: 1026600 11.9508 -78.394 -16.7254 -78.3941 19.3347 -10.8402 -16.7254 -10.8402 -39.5005 GPRESSAVG: 1026600 13.3315 -76.8928 -14.6088 -81.5145 19.0935 -13.2068 -19.8144 -9.22188 -40.4792 TIMING: 1026600 CPU: 3059.07, 0.00297713/step Wall: 3059.07, 0.00297713/step, 3.28593 hours remaining, 206.703125 MB of memory in use. ENERGY: 1026600 719.1604 2083.1096 1918.4550 118.9810 -206351.0279 17799.2141 0.0000 0.0000 34430.7262 -149281.3814 300.6921 -183712.1077 -149189.2894 299.3365 4.6043 40.1448 556934.6334 -2.7384 -2.6847 PRESSURE: 1026800 208.309 61.5192 107.246 61.5204 -44.2431 72.7233 107.245 72.7221 248.989 GPRESSURE: 1026800 187.902 61.845 163.087 66.8906 48.7085 15.662 68.2347 65.5864 279.23 PRESSAVG: 1026800 9.75575 -0.418465 21.1814 -0.418443 15.0373 -1.52852 21.1813 -1.52855 -31.4806 GPRESSAVG: 1026800 8.05557 0.115795 19.314 0.0297928 14.7437 -0.364973 22.0951 -2.3447 -29.9241 TIMING: 1026800 CPU: 3059.67, 0.0029857/step Wall: 3059.67, 0.0029857/step, 3.29522 hours remaining, 206.703125 MB of memory in use. ENERGY: 1026800 728.0832 2083.1100 1952.3634 120.5703 -206360.4102 17863.3147 0.0000 0.0000 34468.0363 -149144.9324 301.0179 -183612.9687 -149043.5793 299.5432 137.6849 171.9468 557644.1120 -2.2292 -2.3750 PRESSURE: 1027000 63.5647 61.0025 199.278 61.0019 105.646 49.9243 199.278 49.9244 -154.056 GPRESSURE: 1027000 52.5018 103.429 197.811 27.3559 115.56 49.9427 185.806 25.8246 -66.8176 PRESSAVG: 1027000 -2.74692 -26.0283 113.785 -26.0283 37.3771 43.4265 113.785 43.4265 -25.0229 GPRESSAVG: 1027000 -3.59817 -25.2613 113.868 -26.6941 37.7377 43.3291 112.613 45.3532 -24.2026 TIMING: 1027000 CPU: 3060.26, 0.00297367/step Wall: 3060.26, 0.00297367/step, 3.28177 hours remaining, 206.703125 MB of memory in use. ENERGY: 1027000 714.4034 2107.2255 1945.7611 122.7132 -206162.6283 17753.9522 0.0000 0.0000 34423.1626 -149095.4103 300.6260 -183518.5729 -148995.0663 299.5266 5.0515 33.7481 558668.6367 3.2024 3.3123 PRESSURE: 1027200 1.53375 10.8059 -134.714 10.8071 -131.266 22.5015 -134.715 22.5008 113.25 GPRESSURE: 1027200 7.4554 -16.8536 -149.891 -9.04067 -62.5255 6.05526 -83.7995 23.8687 132.221 PRESSAVG: 1027200 -44.8332 -49.9262 82.9422 -49.9262 2.26237 -6.02715 82.9423 -6.02713 58.968 GPRESSAVG: 1027200 -43.9846 -50.386 84.8752 -48.6873 2.82045 -4.69451 81.555 -8.52304 58.3207 TIMING: 1027200 CPU: 3060.86, 0.00298845/step Wall: 3060.86, 0.00298845/step, 3.29792 hours remaining, 206.703125 MB of memory in use. ENERGY: 1027200 782.0965 2082.9847 1919.0778 107.3719 -206243.1385 17943.3286 0.0000 0.0000 34479.3900 -148928.8889 301.1171 -183408.2790 -148835.9566 299.8205 -5.4938 25.7169 557210.6390 5.4657 5.7188 PRESSURE: 1027400 142.825 45.0187 60.3733 45.0181 -212.594 -81.3916 60.3737 -81.3927 47.9582 GPRESSURE: 1027400 166.075 -23.7846 -22.7008 98.271 -83.3325 53.6345 106.873 -270.769 2.94257 PRESSAVG: 1027400 1.79921 7.33981 82.3067 7.33972 -56.17 -3.49742 82.3066 -3.49728 36.9089 GPRESSAVG: 1027400 2.116 8.44834 79.6743 7.22406 -55.833 -5.1325 85.4693 -3.11654 36.2379 TIMING: 1027400 CPU: 3061.45, 0.00296633/step Wall: 3061.45, 0.00296633/step, 3.27334 hours remaining, 206.703125 MB of memory in use. ENERGY: 1027400 721.3712 2099.3282 1941.8611 114.4077 -205920.4444 17671.4014 0.0000 0.0000 34399.5399 -148972.5349 300.4197 -183372.0748 -148879.3102 300.1730 -7.2702 28.5617 558624.0060 -5.8206 -5.8263 PRESSURE: 1027600 -190.003 -191.281 198.412 -191.281 98.2083 -97.442 198.413 -97.4434 -156.95 GPRESSURE: 1027600 -134.171 -146.201 158.769 -218.698 157.088 -21.0731 177.925 -149.802 -162.085 PRESSAVG: 1027600 -37.2144 -43.6874 97.5327 -43.6874 -7.99429 28.6317 97.5328 28.6317 75.0439 GPRESSAVG: 1027600 -37.1885 -44.9916 99.8512 -43.355 -7.56768 30.814 94.8663 29.6568 74.9051 TIMING: 1027600 CPU: 3062.04, 0.00295386/step Wall: 3062.04, 0.00295386/step, 3.25942 hours remaining, 206.703125 MB of memory in use. ENERGY: 1027600 719.8192 2060.8567 1947.6490 103.6291 -205975.7687 17802.4496 0.0000 0.0000 34354.8861 -148986.4790 300.0298 -183341.3651 -148891.0138 300.0177 -82.9149 -46.3890 557020.7014 9.9451 10.0496 PRESSURE: 1027800 82.7466 -116.291 -80.1545 -116.291 -4.13576 -77.603 -80.1552 -77.6019 132.583 GPRESSURE: 1027800 121.466 -139.976 -107.359 -127.9 70.9257 -57.754 -69.1661 -125.901 123.939 PRESSAVG: 1027800 -7.19072 -38.6252 44.0161 -38.6252 16.4907 4.49923 44.0162 4.49929 -4.55029 GPRESSAVG: 1027800 -7.26729 -38.0735 42.0383 -39.6445 16.9721 3.16216 45.9306 4.06996 -5.17624 TIMING: 1027800 CPU: 3062.64, 0.00298174/step Wall: 3062.64, 0.00298174/step, 3.29001 hours remaining, 206.703125 MB of memory in use. ENERGY: 1027800 744.5046 2121.0561 1971.3096 125.7929 -206196.1606 17790.7662 0.0000 0.0000 34350.2899 -149092.4412 299.9896 -183442.7311 -149001.3137 300.0882 70.3980 105.4436 555824.2011 1.5832 1.5095 PRESSURE: 1028000 3.33795 16.5222 49.3041 16.5215 -239.735 -75.1753 49.304 -75.1741 -231.28 GPRESSURE: 1028000 78.8108 19.9086 20.9024 28.4669 -228.17 -90.6073 75.5418 -8.07963 -216.65 PRESSAVG: 1028000 82.0274 -2.29668 -36.0396 -2.29654 -51.963 40.3626 -36.0397 40.3626 1.21126 GPRESSAVG: 1028000 82.8386 -2.68034 -37.2252 -1.26123 -52.4791 38.9255 -36.6904 41.6742 1.07949 TIMING: 1028000 CPU: 3063.24, 0.00299139/step Wall: 3063.24, 0.00299139/step, 3.3005 hours remaining, 206.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1028000 746.5155 2044.7234 1941.7126 119.7201 -205738.1275 17574.9535 0.0000 0.0000 34260.2132 -149050.2893 299.2030 -183310.5025 -148954.2712 299.7039 -155.8923 -122.0028 557506.2533 10.4252 10.4797 PRESSURE: 1028200 -215.616 -14.4311 -23.3993 -14.4299 236.259 11.2398 -23.4002 11.2394 -134.569 GPRESSURE: 1028200 -154.254 49.408 -100.493 -72.1856 235.574 -55.1611 -89.7699 -4.84868 -95.653 PRESSAVG: 1028200 18.0264 -21.3107 -57.5561 -21.3107 9.36212 33.2509 -57.5562 33.2509 14.1164 GPRESSAVG: 1028200 18.6989 -20.1721 -55.5387 -22.6667 8.80467 34.7793 -56.5517 34.4111 14.2721 TIMING: 1028200 CPU: 3063.83, 0.00297849/step Wall: 3063.83, 0.00297849/step, 3.2861 hours remaining, 206.703125 MB of memory in use. ENERGY: 1028200 733.8903 2084.8499 1938.2034 109.6532 -205514.9285 17613.5345 0.0000 0.0000 34146.0622 -148888.7351 298.2061 -183034.7973 -148795.4386 299.3171 -37.9754 -4.7774 558299.3917 13.8350 13.9252 LDB: ============= START OF LOAD BALANCING ============== 3067.39 LDB: ============== END OF LOAD BALANCING =============== 3067.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3067.39 LDB: ============= START OF LOAD BALANCING ============== 3067.69 LDB: Largest compute 4773 load 0.026578 is 22.5% of average load 0.118218 LDB: Average compute 0.001721 is 1.5% of average load 0.118218 LDB: TIME 3067.69 LOAD: AVG 0.118218 MAX 0.206936 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.637 MB LDB: TIME 3067.69 LOAD: AVG 0.118218 MAX 0.206936 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.637 MB LDB: TIME 3067.69 LOAD: AVG 0.118218 MAX 0.206936 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3067.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3067.7 PRESSURE: 1028400 138.147 -179.058 -187.863 -179.057 -30.2297 -80.2084 -187.862 -80.2092 -103.305 GPRESSURE: 1028400 164.98 -143.746 -251.826 -201.213 -34.0227 -28.5001 -111.723 -92.9381 -35.0804 PRESSAVG: 1028400 -64.1945 14.4478 0.117049 14.4478 8.80932 -36.8424 0.117078 -36.8422 25.1416 GPRESSAVG: 1028400 -65.6269 12.9699 0.181666 15.3907 9.31152 -36.5539 0.0636361 -38.5315 26.0965 TIMING: 1028400 CPU: 3064.45, 0.00306533/step Wall: 3064.45, 0.00306533/step, 3.38174 hours remaining, 206.695312 MB of memory in use. ENERGY: 1028400 745.9447 2093.0538 1949.5727 119.9254 -205668.4212 17675.7676 0.0000 0.0000 34184.1169 -148900.0401 298.5384 -183084.1570 -148807.1130 299.6251 1.5373 31.9591 557493.4059 -10.0812 -10.0730 PRESSURE: 1028600 49.0054 108.66 7.21491 108.66 74.9694 -74.8033 7.2154 -74.8024 289.505 GPRESSURE: 1028600 117.731 115.604 -38.5592 98.7346 88.9448 -49.9904 -33.2284 -60.7742 305.195 PRESSAVG: 1028600 -29.8683 -29.3891 -50.716 -29.3892 -21.6242 -35.1638 -50.716 -35.1638 50.5383 GPRESSAVG: 1028600 -29.0172 -29.1941 -51.2725 -29.7578 -22.2993 -36.4621 -51.1613 -33.4787 50.1527 TIMING: 1028600 CPU: 3065.04, 0.00296948/step Wall: 3065.04, 0.00296948/step, 3.27583 hours remaining, 206.695312 MB of memory in use. ENERGY: 1028600 743.5678 2049.3552 1919.4532 116.8006 -206270.6389 17978.8394 0.0000 0.0000 34437.9533 -149024.6694 300.7552 -183462.6226 -148929.8952 300.4154 137.8265 170.6237 557553.1973 -0.3181 -0.3879 PRESSURE: 1028800 102.575 -32.0084 -135.5 -32.0102 -116.303 16.8014 -135.5 16.8012 -76.984 GPRESSURE: 1028800 94.3853 -74.5196 -92.1732 14.7868 -59.8828 27.5437 -140.655 10.2013 -19.8162 PRESSAVG: 1028800 -70.329 -45.4832 59.6997 -45.4832 14.5253 6.02909 59.6997 6.0291 -9.61707 GPRESSAVG: 1028800 -69.6793 -44.0414 59.3094 -45.1987 15.0408 6.5143 57.8349 4.14871 -10.4012 TIMING: 1028800 CPU: 3065.63, 0.00295705/step Wall: 3065.63, 0.00295705/step, 3.26196 hours remaining, 206.695312 MB of memory in use. ENERGY: 1028800 712.1541 2040.8139 1943.7126 111.2901 -206087.5365 17609.5712 0.0000 0.0000 34406.7676 -149263.2269 300.4829 -183669.9945 -149170.8256 299.9462 -30.2374 4.8954 557378.3281 -21.8069 -21.6799 PRESSURE: 1029000 179.428 -21.0191 -4.80704 -21.0189 -159.381 78.0427 -4.80754 78.0423 -341.184 GPRESSURE: 1029000 218.495 11.7253 110.022 -77.9303 -158.388 149.453 -4.09638 19.613 -273.2 PRESSAVG: 1029000 28.2016 -3.39368 20.4582 -3.39378 -31.0381 -22.4047 20.4582 -22.4049 9.72214 GPRESSAVG: 1029000 27.3683 -4.98041 21.0169 -3.88222 -31.4455 -20.3543 20.58 -23.714 11.4921 TIMING: 1029000 CPU: 3066.22, 0.00296632/step Wall: 3066.22, 0.00296632/step, 3.27201 hours remaining, 206.695312 MB of memory in use. ENERGY: 1029000 776.9100 2075.3484 1923.4133 109.8885 -206285.2637 17893.2911 0.0000 0.0000 34176.3115 -149330.1010 298.4702 -183506.4125 -149229.7913 299.0646 -107.0456 -71.0310 557016.3446 2.2952 2.4716 PRESSURE: 1029200 -314.863 -67.5421 82.8669 -67.5428 -224.42 -89.9356 82.8668 -89.9333 -262.787 GPRESSURE: 1029200 -246.777 -109.879 48.8596 -92.5756 -205.789 11.192 110.234 -155.234 -246.066 PRESSAVG: 1029200 65.5044 -6.5695 -5.06931 -6.56945 0.0653939 -10.0901 -5.0694 -10.0901 -61.4403 GPRESSAVG: 1029200 65.2128 -8.23106 -2.9786 -5.48331 0.548535 -11.5411 -6.23766 -9.25881 -61.3744 TIMING: 1029200 CPU: 3066.81, 0.00295363/step Wall: 3066.81, 0.00295363/step, 3.25786 hours remaining, 206.695312 MB of memory in use. ENERGY: 1029200 778.4885 2088.5092 1947.1106 129.4909 -206051.1086 17592.8848 0.0000 0.0000 34172.2988 -149342.3256 298.4352 -183514.6244 -149244.4992 298.7676 -267.3567 -232.8770 557722.7401 1.3765 1.4623 PRESSURE: 1029400 89.8296 104.339 -4.47491 104.338 -94.2668 -4.09628 -4.47292 -4.09596 162.36 GPRESSURE: 1029400 102.017 152.272 -14.6551 63.6191 -17.2617 -41.0285 23.5417 19.2694 166.586 PRESSAVG: 1029400 18.5585 -41.4248 -19.0738 -41.4247 43.1187 75.3746 -19.0738 75.3747 1.68375 GPRESSAVG: 1029400 18.5148 -39.9974 -18.3319 -41.6189 43.7915 74.1533 -18.0519 76.242 1.28131 TIMING: 1029400 CPU: 3067.41, 0.00295399/step Wall: 3067.41, 0.00295399/step, 3.25809 hours remaining, 206.695312 MB of memory in use. ENERGY: 1029400 756.8092 2069.1103 1934.5447 122.4294 -206531.3676 17913.1828 0.0000 0.0000 34312.6347 -149422.6567 299.6608 -183735.2914 -149326.6604 298.3079 52.6410 83.7805 557055.6971 21.1203 21.1959 PRESSURE: 1029600 -339.916 -99.1483 127.046 -99.1469 -39.4847 -64.2163 127.047 -64.2159 -102.381 GPRESSURE: 1029600 -282.646 -57.5809 -5.87637 -107.05 -44.2389 -7.85218 172.322 -32.1995 -58.3909 PRESSAVG: 1029600 29.5345 -14.5302 24.7096 -14.5303 -39.1674 34.8652 24.7097 34.8652 3.25182 GPRESSAVG: 1029600 29.5086 -12.3583 22.313 -16.2325 -39.2345 35.5889 24.9709 35.3762 3.70348 TIMING: 1029600 CPU: 3068, 0.00295326/step Wall: 3068, 0.00295326/step, 3.25712 hours remaining, 206.695312 MB of memory in use. ENERGY: 1029600 770.7336 2117.2272 1927.1756 125.6394 -206327.1508 17696.8495 0.0000 0.0000 34384.8998 -149304.6258 300.2919 -183689.5256 -149210.2903 298.9020 -160.5942 -128.4252 558069.0648 -2.1270 -2.0075 PRESSURE: 1029800 -48.2951 21.6462 -20.2965 21.6456 -360.281 117.246 -20.2974 117.244 -113.721 GPRESSURE: 1029800 -2.43931 80.7847 -35.6596 74.1222 -307.637 209.159 12.0379 77.7288 -95.5299 PRESSAVG: 1029800 38.6715 12.8608 -18.0729 12.8608 -72.3784 -31.2486 -18.073 -31.2486 57.3937 GPRESSAVG: 1029800 39.6407 11.4817 -18.4875 14.9347 -72.5111 -30.7049 -17.29 -30.1051 55.7699 TIMING: 1029800 CPU: 3068.59, 0.00294609/step Wall: 3068.59, 0.00294609/step, 3.24904 hours remaining, 206.695312 MB of memory in use. ENERGY: 1029800 768.2364 2094.3647 1927.2173 120.9141 -205951.9608 17674.2383 0.0000 0.0000 33888.2554 -149478.7345 295.9546 -183366.9899 -149382.2745 298.8105 -174.0993 -135.2022 558497.1899 7.8956 7.6332 PRESSURE: 1030000 -85.755 26.9301 109.313 26.9294 -177.316 158.91 109.313 158.909 48.3604 GPRESSURE: 1030000 -92.8231 -64.5452 91.3674 63.2558 -99.3925 196.857 68.2066 103.424 74.4691 PRESSAVG: 1030000 25.3119 34.6689 27.5628 34.6689 -12.29 63.6902 27.5628 63.6901 18.9817 GPRESSAVG: 1030000 25.3473 32.3201 28.7813 33.4132 -12.1034 64.0681 24.6442 61.0402 18.3475 TIMING: 1030000 CPU: 3069.18, 0.0029532/step Wall: 3069.18, 0.0029532/step, 3.25672 hours remaining, 206.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1030000 730.1685 2076.2660 1929.9235 101.9686 -206379.5304 17775.1205 0.0000 0.0000 33946.7695 -149819.3138 296.4656 -183766.0833 -149724.5726 297.4331 -71.5703 -39.2489 556319.1599 10.6678 10.5305 PRESSURE: 1030200 -63.4374 131.495 49.3465 131.495 -76.4851 209.027 49.3472 209.026 -232.409 GPRESSURE: 1030200 -37.6957 111.632 95.8954 183.776 -32.6837 264.444 52.1248 133.386 -214.389 PRESSAVG: 1030200 -43.7717 -8.43554 25.555 -8.43552 0.916784 21.5725 25.555 21.5726 4.93732 GPRESSAVG: 1030200 -43.7994 -5.96535 24.0285 -9.23921 0.0909309 21.7992 29.1161 22.1495 5.91637 TIMING: 1030200 CPU: 3069.77, 0.00296136/step Wall: 3069.77, 0.00296136/step, 3.26556 hours remaining, 206.695312 MB of memory in use. ENERGY: 1030200 768.2686 2019.6863 1938.8035 108.6102 -206098.1968 17679.8589 0.0000 0.0000 33997.5831 -149585.3864 296.9093 -183582.9695 -149493.9203 297.7127 -124.1104 -94.9228 556526.6858 -12.6392 -12.5974 PRESSURE: 1030400 -47.8843 -83.0419 -59.4283 -83.0422 3.68107 112.429 -59.4285 112.43 222.132 GPRESSURE: 1030400 -21.3192 -84.0224 -41.7823 -130.39 26.3877 -0.826996 -93.8588 126.489 275.394 PRESSAVG: 1030400 59.9006 -24.5229 -24.116 -24.5227 -42.1753 30.6173 -24.116 30.6173 -7.10193 GPRESSAVG: 1030400 57.9208 -25.2531 -24.2248 -24.0743 -41.7489 27.7957 -23.6376 31.4365 -6.20351 TIMING: 1030400 CPU: 3070.36, 0.00297423/step Wall: 3070.36, 0.00297423/step, 3.27959 hours remaining, 206.695312 MB of memory in use. ENERGY: 1030400 782.1039 2110.0027 1920.0951 106.0741 -206355.0389 17881.1375 0.0000 0.0000 34026.4269 -149529.1987 297.1612 -183555.6256 -149431.2066 297.9612 59.3096 93.4876 555841.9580 3.5411 3.3228 PRESSURE: 1030600 -127.049 -55.7943 140.132 -55.795 -30.5449 226.532 140.133 226.533 -95.588 GPRESSURE: 1030600 -72.1883 -129.497 111.411 34.0547 -15.0363 204.084 194.204 176.603 -64.3354 PRESSAVG: 1030600 -32.5683 17.2624 20.1787 17.2624 6.91567 7.39877 20.1787 7.39883 41.9624 GPRESSAVG: 1030600 -30.5851 17.9894 20.5212 18.2451 6.13181 8.87056 19.487 6.8027 40.7417 TIMING: 1030600 CPU: 3070.96, 0.00297771/step Wall: 3070.96, 0.00297771/step, 3.28326 hours remaining, 206.695312 MB of memory in use. ENERGY: 1030600 763.2194 2088.4278 1932.0937 109.3754 -206387.1228 17768.2938 0.0000 0.0000 34388.1104 -149337.6023 300.3199 -183725.7127 -149236.0775 298.3464 -84.3940 -50.5200 556351.4260 5.4366 5.4295 PRESSURE: 1030800 186.767 -35.729 22.3949 -35.7282 310.205 -68.7102 22.3958 -68.7097 150.325 GPRESSURE: 1030800 229.639 -28.1938 -11.6962 1.19167 315.209 -115.668 80.4024 -42.3135 203.797 PRESSAVG: 1030800 15.1697 17.282 16.4151 17.282 -13.9064 14.2896 16.415 14.2897 59.9783 GPRESSAVG: 1030800 14.8265 17.2133 15.7628 16.2606 -13.6154 12.8625 17.3435 17.9303 60.6836 TIMING: 1030800 CPU: 3071.55, 0.002934/step Wall: 3071.55, 0.002934/step, 3.2349 hours remaining, 206.695312 MB of memory in use. ENERGY: 1030800 759.1387 2078.1560 1952.7427 116.5827 -206369.3210 18039.3016 0.0000 0.0000 34255.5796 -149167.8197 299.1625 -183423.3993 -149079.2901 299.4569 215.7656 249.5482 554492.9190 20.4139 20.6316 PRESSURE: 1031000 176.597 -30.8596 21.8174 -30.859 -219.471 -43.6269 21.818 -43.6265 -110.242 GPRESSURE: 1031000 208.063 -99.4317 58.5554 -55.223 -235.263 -40.2694 -71.3926 -0.373244 -25.5008 PRESSAVG: 1031000 26.7394 1.51493 6.30856 1.51497 -70.7652 -16.4915 6.3086 -16.4916 8.43669 GPRESSAVG: 1031000 25.0915 1.44133 5.81353 2.34891 -70.8469 -14.5443 7.17742 -18.3796 9.87552 TIMING: 1031000 CPU: 3072.14, 0.00295285/step Wall: 3072.14, 0.00295285/step, 3.25552 hours remaining, 206.695312 MB of memory in use. ENERGY: 1031000 747.5562 2151.6501 1912.9857 123.6730 -206081.3291 17649.0320 0.0000 0.0000 34276.1871 -149220.2450 299.3425 -183496.4322 -149125.2416 299.6883 -51.0385 -17.5668 556802.8082 -11.8630 -11.9599 PRESSURE: 1031200 -46.75 83.5867 166.381 83.5874 -188.641 47.8473 166.38 47.8483 -256.498 GPRESSURE: 1031200 -52.4932 68.9473 122.681 158.761 -190.993 52.0314 155.545 39.0756 -147.154 PRESSAVG: 1031200 1.18565 46.3217 -59.8164 46.3217 31.4436 27.4248 -59.8165 27.4248 -10.4501 GPRESSAVG: 1031200 2.11267 47.4291 -59.5454 44.0147 31.2559 26.8515 -61.4252 26.9903 -11.0888 TIMING: 1031200 CPU: 3072.73, 0.00296186/step Wall: 3072.73, 0.00296186/step, 3.26529 hours remaining, 206.695312 MB of memory in use. ENERGY: 1031200 751.2822 2144.8252 1928.6221 111.4723 -205952.9599 17517.9218 0.0000 0.0000 34276.8744 -149221.9619 299.3485 -183498.8363 -149133.6053 298.7995 -163.9629 -130.2134 557821.2532 7.3930 7.4266 PRESSURE: 1031400 77.3184 69.7249 3.4412 69.7257 -129.374 62.4003 3.44211 62.4008 -372.187 GPRESSURE: 1031400 121.789 111.921 35.1645 7.3461 -175.411 63.4112 26.0925 46.6139 -266.575 PRESSAVG: 1031400 44.1271 71.1395 3.5248 71.1396 -6.83958 88.4963 3.52472 88.4962 -29.086 GPRESSAVG: 1031400 44.2295 71.9677 4.92338 70.2661 -7.44649 89.6758 5.23855 86.3034 -28.4668 TIMING: 1031400 CPU: 3073.32, 0.0029763/step Wall: 3073.32, 0.0029763/step, 3.28104 hours remaining, 206.695312 MB of memory in use. ENERGY: 1031400 720.0638 2132.8475 1933.4599 110.8679 -206155.4964 17613.9563 0.0000 0.0000 34385.2941 -149259.0069 300.2953 -183644.3010 -149165.1613 299.6946 -141.4141 -106.7320 558632.4101 2.7338 2.7721 PRESSURE: 1031600 -135.348 42.1468 -20.2194 42.1465 -90.9006 102.722 -20.2196 102.723 -309.164 GPRESSURE: 1031600 -105.028 84.2681 -118.869 8.78405 -67.0075 157.454 23.9816 73.9992 -261.972 PRESSAVG: 1031600 16.5252 -28.7358 -19.8588 -28.7357 -72.5164 113.645 -19.8587 113.645 12.4674 GPRESSAVG: 1031600 15.839 -29.7792 -20.9201 -26.6978 -70.8461 111.396 -20.0973 116.267 11.7599 TIMING: 1031600 CPU: 3073.92, 0.00296951/step Wall: 3073.92, 0.00296951/step, 3.27339 hours remaining, 206.695312 MB of memory in use. ENERGY: 1031600 751.7795 2188.4514 1940.5699 119.8191 -206114.3134 17518.2087 0.0000 0.0000 34344.7330 -149250.7518 299.9411 -183595.4848 -149157.6616 299.5767 -178.4709 -144.6691 557700.8815 -14.5080 -14.4157 PRESSURE: 1031800 120.035 -17.0599 155.612 -17.0593 -50.4913 -71.7427 155.611 -71.7442 -133.251 GPRESSURE: 1031800 125.136 34.7188 191.014 -80.7801 -35.9776 -103.81 131.715 -117.91 -58.553 PRESSAVG: 1031800 -24.759 36.5664 0.209562 36.5663 22.2688 34.3273 0.209379 34.3273 -2.39792 GPRESSAVG: 1031800 -24.8177 36.1726 0.719304 36.8344 22.6422 35.0479 0.00955261 32.2797 -2.6802 TIMING: 1031800 CPU: 3074.51, 0.00295885/step Wall: 3074.51, 0.00295885/step, 3.26147 hours remaining, 206.695312 MB of memory in use. ENERGY: 1031800 726.6478 2170.2896 1924.3456 119.0753 -206036.4613 17793.9251 0.0000 0.0000 34120.1622 -149182.0156 297.9799 -183302.1779 -149088.1934 299.2257 -21.2358 10.2019 557482.6907 -1.6294 -1.6186 PRESSURE: 1032000 198.308 114.948 -122.932 114.949 -37.0412 -65.1631 -122.932 -65.1639 82.1788 GPRESSURE: 1032000 254.476 105.002 -65.4875 121.4 -55.6214 -78.2684 -56.1287 -37.1684 144.335 PRESSAVG: 1032000 -42.0946 -45.8349 -58.9539 -45.8348 14.3911 12.4155 -58.9539 12.4156 20.3196 GPRESSAVG: 1032000 -42.3664 -46.4436 -58.5262 -45.1055 13.9624 13.8798 -60.3577 10.7326 20.9057 TIMING: 1032000 CPU: 3075.11, 0.00298169/step Wall: 3075.11, 0.00298169/step, 3.28649 hours remaining, 206.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1032000 715.9179 2196.7044 1886.4943 111.9070 -206472.9646 17929.1901 0.0000 0.0000 34413.4347 -149219.3164 300.5411 -183632.7510 -149112.4837 300.0639 81.1487 114.3964 555909.0883 -2.4613 -2.4994 PRESSURE: 1032200 211.962 -185.049 -227.973 -185.051 -124.504 38.0321 -227.972 38.0309 -212.801 GPRESSURE: 1032200 182.605 -192.791 -178.885 -206.541 -50.8647 -5.8378 -216.211 52.9906 -147.362 PRESSAVG: 1032200 5.34853 -22.8092 23.1305 -22.8091 -2.12032 6.57324 23.1304 6.57311 -31.5827 GPRESSAVG: 1032200 6.87586 -21.6954 22.6391 -24.3112 -1.85146 6.06317 22.9783 7.22739 -32.9927 TIMING: 1032200 CPU: 3075.7, 0.0029541/step Wall: 3075.7, 0.0029541/step, 3.25591 hours remaining, 206.695312 MB of memory in use. ENERGY: 1032200 757.4242 2117.4329 1903.6039 117.9984 -206490.6075 17893.9686 0.0000 0.0000 34306.2890 -149393.8907 299.6054 -183700.1796 -149292.3857 299.0047 -41.7810 -5.2073 556017.5613 -9.4515 -9.3228 LDB: ============= START OF LOAD BALANCING ============== 3079.25 LDB: ============== END OF LOAD BALANCING =============== 3079.25 LDB: =============== DONE WITH MIGRATION ================ 3079.25 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 3079.55 LDB: Largest compute 4773 load 0.026720 is 22.6% of average load 0.118204 LDB: Average compute 0.001725 is 1.5% of average load 0.118204 LDB: TIME 3079.55 LOAD: AVG 0.118204 MAX 0.206211 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.211 MB LDB: TIME 3079.55 LOAD: AVG 0.118204 MAX 0.206211 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.211 MB LDB: TIME 3079.55 LOAD: AVG 0.118204 MAX 0.206211 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.211 MB LDB: ============== END OF LOAD BALANCING =============== 3079.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3079.56 PRESSURE: 1032400 47.56 -102.247 -59.9907 -102.246 -8.94649 86.8825 -59.9895 86.8824 -14.0748 GPRESSURE: 1032400 77.7391 -54.0052 -117.122 -61.4595 28.5059 52.2218 -38.8683 174.538 12.4916 PRESSAVG: 1032400 18.4314 85.4014 -57.9075 85.4014 45.5039 -78.2187 -57.9074 -78.2186 -108.652 GPRESSAVG: 1032400 17.5174 85.421 -57.8526 85.0014 46.1111 -79.6161 -56.5868 -75.8658 -108.308 TIMING: 1032400 CPU: 3076.31, 0.00305126/step Wall: 3076.31, 0.00305126/step, 3.36283 hours remaining, 207.222656 MB of memory in use. ENERGY: 1032400 780.5863 2122.8263 1936.8405 106.7935 -206457.2812 17865.4787 0.0000 0.0000 34152.9587 -149491.7970 298.2663 -183644.7557 -149403.2995 299.0339 8.1796 39.5789 555820.2901 -14.9054 -14.8931 PRESSURE: 1032600 -179.714 -0.473724 -40.0464 -0.473009 -27.0547 14.7672 -40.0461 14.7686 -257.101 GPRESSURE: 1032600 -127.35 -59.6608 -39.9117 24.8922 -0.724068 -9.94696 -37.3935 18.765 -233.687 PRESSAVG: 1032600 0.760203 0.730622 -5.948 0.730726 6.20597 6.82397 -5.94788 6.82397 29.746 GPRESSAVG: 1032600 0.989674 -0.108846 -5.72612 1.56465 6.35536 7.37517 -7.00917 7.1376 29.0151 TIMING: 1032600 CPU: 3076.91, 0.00301279/step Wall: 3076.91, 0.00301279/step, 3.32026 hours remaining, 207.222656 MB of memory in use. ENERGY: 1032600 774.6329 2134.1814 1917.6454 119.6344 -206136.5136 17507.0261 0.0000 0.0000 34281.0213 -149402.3721 299.3847 -183683.3934 -149301.4050 298.8528 -154.6233 -120.5870 555952.2920 12.2374 12.1200 PRESSURE: 1032800 57.6852 94.4434 196.41 94.4445 54.5692 -39.2471 196.408 -39.2467 -111.624 GPRESSURE: 1032800 97.978 108.954 173.426 81.3697 104.394 -110.572 146.032 -38.4774 -106.564 PRESSAVG: 1032800 -26.3159 18.9513 28.5651 18.9513 20.1127 -8.88289 28.565 -8.88286 -21.9552 GPRESSAVG: 1032800 -27.0201 18.3924 27.1988 20.9899 18.8313 -9.72239 29.4991 -8.5025 -20.0916 TIMING: 1032800 CPU: 3077.51, 0.00302257/step Wall: 3077.51, 0.00302257/step, 3.33088 hours remaining, 207.222656 MB of memory in use. ENERGY: 1032800 753.9231 2094.2564 1906.4374 105.6990 -206126.0540 17678.1218 0.0000 0.0000 34071.9101 -149515.7062 297.5585 -183587.6163 -149422.6145 299.1492 0.2100 31.9360 557376.6768 -9.3861 -9.4268 PRESSURE: 1033000 -157.514 -27.1332 42.9011 -27.1326 16.2351 -37.4391 42.9002 -37.439 -3.80027 GPRESSURE: 1033000 -141.784 -71.2014 -10.7809 25.7094 81.294 -92.7822 60.2205 -42.5586 -0.401858 PRESSAVG: 1033000 14.0754 -36.8826 12.6963 -36.8826 23.9514 -13.3395 12.6963 -13.3396 -39.0105 GPRESSAVG: 1033000 14.9361 -36.2898 14.9948 -38.2794 23.0204 -12.2601 10.5381 -14.6263 -39.3298 TIMING: 1033000 CPU: 3078.11, 0.00297229/step Wall: 3078.11, 0.00297229/step, 3.2753 hours remaining, 207.222656 MB of memory in use. ENERGY: 1033000 767.6988 2127.2758 1890.3273 103.8466 -206635.7517 17852.7739 0.0000 0.0000 34130.0952 -149763.7341 298.0666 -183893.8293 -149668.8601 298.4642 -48.3597 -20.2973 555977.6665 -0.3279 -0.4578 PRESSURE: 1033200 61.6757 -0.109164 -5.12398 -0.108945 184.202 140.898 -5.12398 140.897 293.543 GPRESSURE: 1033200 85.8732 9.11774 24.7837 9.9346 196.786 103.539 56.0207 191.951 355.34 PRESSAVG: 1033200 -45.7792 11.277 10.3396 11.2772 31.9711 -5.11009 10.3396 -5.11004 34.8381 GPRESSAVG: 1033200 -45.8142 10.4748 8.51086 11.7221 33.1337 -6.3253 12.8307 -4.62948 33.5062 TIMING: 1033200 CPU: 3078.7, 0.00297365/step Wall: 3078.7, 0.00297365/step, 3.27663 hours remaining, 207.222656 MB of memory in use. ENERGY: 1033200 762.2817 2092.9293 1940.1880 114.3077 -206906.6386 18235.4560 0.0000 0.0000 33970.9793 -149790.4967 296.6770 -183761.4760 -149695.1608 297.6747 179.8071 212.6666 555940.4457 7.0100 6.9419 PRESSURE: 1033400 143.26 18.785 13.8107 18.7851 -62.8621 -145.571 13.8115 -145.571 129.175 GPRESSURE: 1033400 84.9328 11.8753 91.534 -56.314 82.0758 -196.855 54.0613 -88.9571 138.26 PRESSAVG: 1033400 32.1104 -17.3331 -6.32905 -17.3331 -49.582 -11.8633 -6.32898 -11.8635 19.6323 GPRESSAVG: 1033400 31.1468 -18.3872 -5.38734 -17.4609 -49.9676 -11.2338 -6.45571 -11.1362 20.9398 TIMING: 1033400 CPU: 3079.3, 0.0029671/step Wall: 3079.3, 0.0029671/step, 3.26924 hours remaining, 207.222656 MB of memory in use. ENERGY: 1033400 743.6148 2111.4179 1935.8376 113.6560 -207002.3686 17942.7774 0.0000 0.0000 34423.0095 -149732.0555 300.6247 -184155.0650 -149638.8138 297.9647 69.8575 101.7562 555460.9418 0.7202 0.7063 PRESSURE: 1033600 -89.4668 54.2968 136.967 54.2973 -201.942 -155.924 136.968 -155.923 -354.569 GPRESSURE: 1033600 -121.893 61.1101 107.508 128.699 -198.751 -174.7 217.128 -151.611 -241.624 PRESSAVG: 1033600 -2.48924 22.2175 -75.6504 22.2175 -29.8969 -42.1773 -75.6503 -42.1772 31.7702 GPRESSAVG: 1033600 -2.02369 23.6325 -75.4841 24.2043 -30.157 -40.512 -77.4991 -45.8236 31.6945 TIMING: 1033600 CPU: 3079.89, 0.00295058/step Wall: 3079.89, 0.00295058/step, 3.25088 hours remaining, 207.222656 MB of memory in use. ENERGY: 1033600 761.0688 2106.7382 1923.6499 98.9522 -206179.0716 17425.5017 0.0000 0.0000 34359.7981 -149503.3628 300.0727 -183863.1609 -149402.7971 298.1512 -215.3258 -187.4228 556377.4812 -0.2053 -0.1621 PRESSURE: 1033800 175.766 -11.2853 80.2735 -11.286 197.939 89.1842 80.2743 89.1814 -23.8434 GPRESSURE: 1033800 191.689 -61.9849 9.8936 -21.476 231.143 69.0564 144.513 81.0892 16.607 PRESSAVG: 1033800 -18.1261 67.6888 -28.3811 67.6888 13.1998 10.5624 -28.381 10.5624 -13.0653 GPRESSAVG: 1033800 -18.2838 66.7708 -28.1618 66.0492 13.7948 8.56563 -27.2635 10.6487 -12.8413 TIMING: 1033800 CPU: 3080.48, 0.00295521/step Wall: 3080.48, 0.00295521/step, 3.25582 hours remaining, 207.222656 MB of memory in use. ENERGY: 1033800 762.5751 2109.7097 1926.7907 110.9612 -206739.8189 18089.2721 0.0000 0.0000 34316.4532 -149424.0569 299.6941 -183740.5101 -149330.7043 298.2466 116.6205 146.4795 554997.4897 -5.9972 -5.7768 PRESSURE: 1034000 -313.41 -105.845 -31.6117 -105.844 237.323 75.7581 -31.6098 75.7593 -24.6264 GPRESSURE: 1034000 -212.406 -166.333 -18.5831 -77.9928 222.474 105.356 -99.5242 40.7589 6.84812 PRESSAVG: 1034000 -38.6336 -10.8271 -14.0855 -10.8271 110.355 -41.0783 -14.0854 -41.0782 -44.7888 GPRESSAVG: 1034000 -37.7491 -11.5394 -16.6665 -11.0351 110.592 -41.0423 -13.4091 -40.6693 -45.2317 TIMING: 1034000 CPU: 3081.07, 0.00297645/step Wall: 3081.07, 0.00297645/step, 3.27906 hours remaining, 207.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1034000 739.9941 2084.7691 1935.9190 121.5055 -206628.9693 17758.3811 0.0000 0.0000 34431.8728 -149556.5277 300.7021 -183988.4005 -149456.7186 299.3462 -33.5709 5.6386 555508.7708 8.9774 9.2036 PRESSURE: 1034200 -95.3358 141.921 -86.6526 141.919 -163.466 -64.7935 -86.6521 -64.7934 253.31 GPRESSURE: 1034200 -87.115 187.08 -197.906 169.122 -100.917 -30.5589 -115.179 13.9995 292.175 PRESSAVG: 1034200 -64.2837 1.2295 -54.0197 1.22953 -8.23708 17.6408 -54.0196 17.6409 7.15213 GPRESSAVG: 1034200 -64.3889 2.53335 -53.8159 0.743533 -9.22529 19.0046 -55.1323 17.7869 7.98445 TIMING: 1034200 CPU: 3081.66, 0.00295664/step Wall: 3081.66, 0.00295664/step, 3.25707 hours remaining, 207.222656 MB of memory in use. ENERGY: 1034200 735.7875 2053.3570 1905.1218 119.3105 -206385.7596 17930.2678 0.0000 0.0000 34054.5500 -149587.3650 297.4069 -183641.9150 -149495.4923 298.4838 -1.8308 34.7143 556248.1724 -21.7896 -21.8766 PRESSURE: 1034400 179.885 113.591 -203.894 113.59 -245.917 109.828 -203.893 109.825 -64.7526 GPRESSURE: 1034400 192.969 93.1662 -114.935 151.101 -198.729 64.2687 -231.432 95.0262 -26.8013 PRESSAVG: 1034400 -18.826 -2.56573 -68.43 -2.56572 -28.6301 39.7751 -68.4299 39.7752 45.7695 GPRESSAVG: 1034400 -19.6273 -2.5543 -65.614 -2.52179 -27.7984 40.004 -69.8267 40.1493 45.2863 TIMING: 1034400 CPU: 3082.26, 0.00299147/step Wall: 3082.26, 0.00299147/step, 3.29527 hours remaining, 207.222656 MB of memory in use. ENERGY: 1034400 723.5074 2099.8045 1924.7879 112.6185 -206147.5640 17629.1877 0.0000 0.0000 34160.2758 -149497.3822 298.3302 -183657.6580 -149399.7759 297.9580 -43.5950 -10.8539 556033.1356 -0.5622 -0.7131 PRESSURE: 1034600 -237.528 30.6839 93.3512 30.6836 212.452 1.04162 93.351 1.04115 -166.737 GPRESSURE: 1034600 -150.045 87.9666 38.7035 -32.815 182.864 38.0285 157.395 64.227 -114.539 PRESSAVG: 1034600 6.42014 13.138 -39.3037 13.1381 6.58497 56.6092 -39.3036 56.6091 -12.3329 GPRESSAVG: 1034600 7.11906 13.2588 -40.8276 13.978 6.04195 58.0263 -36.1304 56.0468 -12.1298 TIMING: 1034600 CPU: 3082.87, 0.00301303/step Wall: 3082.87, 0.00301303/step, 3.31885 hours remaining, 207.222656 MB of memory in use. ENERGY: 1034600 730.3259 2123.4427 1908.9446 104.3885 -206234.6570 17720.9856 0.0000 0.0000 33918.7299 -149727.8397 296.2207 -183646.5696 -149632.3843 298.0782 -63.9379 -27.2399 556583.0511 0.2241 0.3438 PRESSURE: 1034800 198.527 -121.598 72.5695 -121.598 -11.3308 57.5487 72.5706 57.5471 -396.801 GPRESSURE: 1034800 243.167 -220.19 46.9459 -32.215 64.053 -81.8615 41.9723 101.115 -429.883 PRESSAVG: 1034800 48.8244 -31.6249 12.7975 -31.6249 51.1218 12.5381 12.7975 12.5382 -30.8132 GPRESSAVG: 1034800 48.884 -32.1416 10.1892 -32.7787 51.8468 9.83693 12.7459 13.6313 -31.4367 TIMING: 1034800 CPU: 3083.47, 0.00300192/step Wall: 3083.47, 0.00300192/step, 3.30645 hours remaining, 207.222656 MB of memory in use. ENERGY: 1034800 742.4101 2082.0638 1951.6399 113.1004 -206405.0547 17847.9758 0.0000 0.0000 33998.6066 -149669.2582 296.9183 -183667.8647 -149571.0696 297.8020 -69.8684 -40.8878 557744.3159 23.0443 23.0980 PRESSURE: 1035000 157.176 -35.8938 -17.7142 -35.894 157.207 -53.0855 -17.7136 -53.0873 53.4317 GPRESSURE: 1035000 181.352 -24.4287 -1.13302 -45.9783 184.615 -169.239 15.8475 -3.34979 105.803 PRESSAVG: 1035000 95.871 -58.2854 33.5294 -58.2853 -21.5667 17.431 33.5294 17.431 -65.0575 GPRESSAVG: 1035000 94.5739 -57.6672 35.3003 -59.1878 -21.0366 17.3426 34.8534 18.3632 -64.1348 TIMING: 1035000 CPU: 3084.06, 0.0029676/step Wall: 3084.06, 0.0029676/step, 3.26849 hours remaining, 207.222656 MB of memory in use. ENERGY: 1035000 784.9616 2077.3118 1928.8707 111.0765 -206546.7156 17946.3499 0.0000 0.0000 34276.3775 -149421.7676 299.3441 -183698.1451 -149323.9962 298.8727 122.6049 157.2568 555663.6581 3.0823 3.1342 PRESSURE: 1035200 56.7597 18.8077 -156.209 18.806 -305.034 186.887 -156.211 186.887 -168.919 GPRESSURE: 1035200 118.911 119.719 -144.257 -121.576 -328.864 180.192 -115.589 128.626 -114.144 PRESSAVG: 1035200 33.6026 -44.4984 -11.5467 -44.4983 -45.3355 22.1456 -11.5467 22.1458 22.5101 GPRESSAVG: 1035200 35.6929 -44.3669 -9.74447 -44.9885 -47.0956 23.0884 -14.2811 20.9987 22.3285 TIMING: 1035200 CPU: 3084.66, 0.00301051/step Wall: 3084.66, 0.00301051/step, 3.31558 hours remaining, 207.222656 MB of memory in use. ENERGY: 1035200 726.7551 2088.0454 1937.8374 108.1318 -205520.0248 17331.8386 0.0000 0.0000 34001.5664 -149325.8501 296.9441 -183327.4165 -149232.2487 299.4617 -139.0644 -108.0324 558696.1152 3.5924 3.6419 PRESSURE: 1035400 52.5 88.7668 -14.8651 88.7673 -54.8964 16.8788 -14.8659 16.8799 -110.43 GPRESSURE: 1035400 79.368 63.037 -58.463 67.7879 4.47767 108.471 14.0013 -48.4114 -85.4459 PRESSAVG: 1035400 51.6992 -14.6529 -28.8143 -14.6529 2.43596 51.3835 -28.8142 51.3835 -29.7298 GPRESSAVG: 1035400 50.7212 -16.3658 -29.5797 -12.2989 2.76603 52.6573 -27.3633 51.0695 -29.3105 TIMING: 1035400 CPU: 3085.26, 0.00300334/step Wall: 3085.26, 0.00300334/step, 3.30751 hours remaining, 207.222656 MB of memory in use. ENERGY: 1035400 755.4016 2032.3027 1954.6693 111.5065 -206047.9213 17789.4240 0.0000 0.0000 34095.3994 -149309.2179 297.7636 -183404.6173 -149211.7677 298.9916 -37.6086 -0.5334 558271.0397 8.1351 8.0589 PRESSURE: 1035600 -194.015 -79.5433 10.7526 -79.5431 80.5801 -8.43984 10.7537 -8.43954 -80.9137 GPRESSURE: 1035600 -195.587 -34.0437 -112.368 -104.651 169.373 -7.51208 13.7551 -18.4142 -78.333 PRESSAVG: 1035600 -43.033 25.462 -3.31477 25.462 70.0263 22.628 -3.31491 22.6279 5.76013 GPRESSAVG: 1035600 -42.8389 24.2054 -5.55398 24.8634 70.1927 22.3545 -3.26523 22.186 5.21902 TIMING: 1035600 CPU: 3085.86, 0.00299111/step Wall: 3085.86, 0.00299111/step, 3.29387 hours remaining, 207.222656 MB of memory in use. ENERGY: 1035600 728.1793 2112.0594 1910.0653 104.9857 -206154.4250 17686.1042 0.0000 0.0000 34042.9286 -149570.1024 297.3054 -183613.0311 -149467.4432 298.5565 -64.7830 -34.8492 556956.1389 10.9178 10.8576 PRESSURE: 1035800 200.149 -9.81722 77.1128 -9.81773 -132.094 -36.3221 77.1131 -36.3222 203.167 GPRESSURE: 1035800 184.085 2.66184 -72.9682 -58.272 -132.304 -63.4068 93.4881 7.33699 314.728 PRESSAVG: 1035800 -28.3472 -5.40497 34.5268 -5.40513 19.6 -10.5022 34.5268 -10.5022 -11.8578 GPRESSAVG: 1035800 -28.8323 -2.12138 35.1311 -7.4748 18.7277 -9.79258 34.3221 -9.1984 -10.9586 TIMING: 1035800 CPU: 3086.46, 0.0029984/step Wall: 3086.46, 0.0029984/step, 3.30174 hours remaining, 207.222656 MB of memory in use. ENERGY: 1035800 745.1354 2051.2867 1914.3780 114.2291 -206664.1309 17976.0659 0.0000 0.0000 34384.6357 -149478.4001 300.2896 -183863.0358 -149384.1532 298.4606 90.4072 122.1699 557479.4442 -6.8684 -7.0211 PRESSURE: 1036000 -122.14 22.841 58.0068 22.8412 -62.1415 71.222 58.0087 71.2223 -131.407 GPRESSURE: 1036000 -81.0891 69.1101 28.8182 11.1871 -67.5657 37.6084 88.2954 -0.0462495 -57.487 PRESSAVG: 1036000 45.1175 -2.86829 -11.1865 -2.86839 -75.6884 74.8879 -11.1865 74.8878 47.735 GPRESSAVG: 1036000 44.879 -3.15844 -10.4381 -2.46311 -75.6542 71.5131 -10.1614 76.7736 47.4016 TIMING: 1036000 CPU: 3087.05, 0.00297349/step Wall: 3087.05, 0.00297349/step, 3.27415 hours remaining, 207.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1036000 735.4861 2082.9996 1923.5186 104.2809 -206087.8567 17636.2495 0.0000 0.0000 34062.2652 -149543.0568 297.4742 -183605.3220 -149448.7513 298.2850 -105.2294 -68.7139 557955.7961 5.7214 5.5422 PRESSURE: 1036200 249.622 137.889 9.70361 137.89 8.85989 171.587 9.70458 171.588 -104.984 GPRESSURE: 1036200 257.651 88.2056 101.522 208.138 63.9281 160.09 -9.83216 217.264 -83.9982 PRESSAVG: 1036200 44.3132 6.01421 -9.84342 6.01423 -68.8611 11.2259 -9.84335 11.2259 77.0065 GPRESSAVG: 1036200 44.842 5.59115 -8.42179 6.98782 -69.0749 13.7269 -10.8133 9.76113 77.0689 TIMING: 1036200 CPU: 3087.65, 0.00297991/step Wall: 3087.65, 0.00297991/step, 3.28104 hours remaining, 207.222656 MB of memory in use. ENERGY: 1036200 723.1776 2071.0834 1911.4314 111.5783 -206235.1525 17863.2889 0.0000 0.0000 33975.8522 -149578.7409 296.7196 -183554.5930 -149487.6388 298.1838 51.1658 79.1937 557092.2216 17.4862 17.6120 LDB: ============= START OF LOAD BALANCING ============== 3091.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3091.2 LDB: =============== DONE WITH MIGRATION ================ 3091.2 LDB: ============= START OF LOAD BALANCING ============== 3091.5 LDB: Largest compute 4773 load 0.025583 is 21.6% of average load 0.118254 LDB: Average compute 0.001714 is 1.4% of average load 0.118254 LDB: TIME 3091.5 LOAD: AVG 0.118254 MAX 0.208832 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 3091.5 LOAD: AVG 0.118254 MAX 0.208832 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.918 MB LDB: TIME 3091.5 LOAD: AVG 0.118254 MAX 0.208832 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.918 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3091.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3091.51 PRESSURE: 1036400 85.0752 0.521306 28.7877 0.520237 -32.0318 -31.3903 28.7867 -31.3906 -82.4111 GPRESSURE: 1036400 115.533 -39.9328 28.9521 -98.057 -6.69712 -30.971 32.8614 -51.0905 -47.5459 PRESSAVG: 1036400 58.3399 59.293 4.01291 59.2931 -0.922062 42.0521 4.01287 42.052 -73.8918 GPRESSAVG: 1036400 57.8911 60.2252 5.01109 58.2849 -0.756801 40.4027 3.60405 42.3539 -73.4712 TIMING: 1036400 CPU: 3088.26, 0.00305025/step Wall: 3088.26, 0.00305025/step, 3.35833 hours remaining, 206.644531 MB of memory in use. ENERGY: 1036400 736.2047 2057.6804 1918.1332 107.1843 -205992.6213 17693.9324 0.0000 0.0000 34158.3041 -149321.1823 298.3130 -183479.4864 -149222.5056 298.1956 -9.7892 20.4301 556835.3131 -5.4913 -5.4456 PRESSURE: 1036600 175.779 -27.6604 -23.6848 -27.6602 149.247 37.8188 -23.6839 37.8184 -35.0673 GPRESSURE: 1036600 204.891 47.7513 -47.6754 -99.2589 175.146 -27.1568 -17.7392 126.129 1.43213 PRESSAVG: 1036600 30.7335 -40.7274 -1.92905 -40.7273 9.47734 -4.44729 -1.92905 -4.44725 -104.533 GPRESSAVG: 1036600 31.0261 -40.8468 -3.18673 -39.7933 10.1669 -3.18586 -1.40683 -4.82682 -106.01 TIMING: 1036600 CPU: 3088.86, 0.00298997/step Wall: 3088.86, 0.00298997/step, 3.29179 hours remaining, 206.843750 MB of memory in use. ENERGY: 1036600 753.6578 2052.4054 1944.3110 116.7007 -206102.8184 17930.5574 0.0000 0.0000 34076.5864 -149228.5997 297.5993 -183305.1861 -149129.2104 298.6762 96.6528 127.1563 558489.1547 -21.4408 -21.6055 PRESSURE: 1036800 -266.605 67.8426 -88.9991 67.843 -224.968 -185.435 -88.9991 -185.434 -132.062 GPRESSURE: 1036800 -209.289 64.5656 -86.1337 50.5392 -213.597 -151.522 -53.9514 -211.183 -110.11 PRESSAVG: 1036800 4.21163 14.6439 19.7499 14.6439 13.2697 -25.6607 19.75 -25.6608 3.53133 GPRESSAVG: 1036800 3.75233 15.0527 19.7191 13.1769 13.4378 -25.0043 19.6676 -26.0302 3.88086 TIMING: 1036800 CPU: 3089.46, 0.0030164/step Wall: 3089.46, 0.0030164/step, 3.32072 hours remaining, 206.843750 MB of memory in use. ENERGY: 1036800 742.2777 2116.9824 1925.6535 125.1043 -205929.5826 17599.4766 0.0000 0.0000 34102.4685 -149317.6196 297.8253 -183420.0881 -149217.3235 299.1184 -207.8782 -177.6650 557961.1055 7.0042 7.0237 PRESSURE: 1037000 233.264 -119.201 -42.1328 -119.203 91.6022 32.6359 -42.1341 32.6357 -141.965 GPRESSURE: 1037000 269.471 -82.1422 -48.0902 -120.465 139.96 16.6032 -16.5217 -58.4918 -137.029 PRESSAVG: 1037000 36.5955 66.466 -17.1179 66.466 -44.2973 -36.1135 -17.118 -36.1134 -13.1535 GPRESSAVG: 1037000 36.9972 65.6054 -18.2751 68.8936 -44.7524 -38.3374 -16.1116 -36.3449 -12.953 TIMING: 1037000 CPU: 3090.06, 0.00297321/step Wall: 3090.06, 0.00297321/step, 3.27301 hours remaining, 206.843750 MB of memory in use. ENERGY: 1037000 723.8222 2028.9217 1946.4385 112.6550 -206012.5313 17825.4339 0.0000 0.0000 34274.6658 -149100.5943 299.3292 -183375.2600 -149006.2347 299.5854 60.9668 90.8009 558254.0492 -6.9517 -6.9027 PRESSURE: 1037200 14.1525 -31.8437 61.4546 -31.8433 68.0641 -31.1581 61.4571 -31.1568 203.049 GPRESSURE: 1037200 90.3316 23.8307 75.0678 -5.03288 90.4955 -18.1089 41.2614 -4.53345 193.745 PRESSAVG: 1037200 -33.6712 59.0082 4.44048 59.0082 41.2096 -3.63572 4.44052 -3.63572 -44.6784 GPRESSAVG: 1037200 -33.7595 59.9619 5.52065 57.3997 40.8344 -2.27504 1.91348 -4.07782 -44.3807 TIMING: 1037200 CPU: 3090.65, 0.00298068/step Wall: 3090.65, 0.00298068/step, 3.28107 hours remaining, 206.843750 MB of memory in use. ENERGY: 1037200 754.9174 2083.4804 1927.7186 108.3186 -206424.7648 17894.9467 0.0000 0.0000 34261.9767 -149393.4063 299.2184 -183655.3830 -149295.8542 298.6185 95.0886 124.8573 556922.6304 -12.3800 -12.4353 PRESSURE: 1037400 229.422 -89.6023 -32.9897 -89.6027 325.589 -64.0822 -32.9896 -64.0808 -146.493 GPRESSURE: 1037400 261.765 11.7874 57.5281 -134.228 338.259 -93.2046 -53.0526 -26.83 -93.4315 PRESSAVG: 1037400 14.7761 16.413 -6.33302 16.4131 32.49 -5.32079 -6.333 -5.32093 -51.1962 GPRESSAVG: 1037400 14.3715 13.9959 -4.89522 19.2698 32.0497 -4.88619 -4.97866 -6.13768 -50.7572 TIMING: 1037400 CPU: 3091.25, 0.00297644/step Wall: 3091.25, 0.00297644/step, 3.27623 hours remaining, 206.843750 MB of memory in use. ENERGY: 1037400 713.7237 2046.4219 1935.5445 106.5376 -206373.7264 17974.0110 0.0000 0.0000 34175.4645 -149422.0232 298.4628 -183597.4877 -149329.2438 298.9033 136.1723 168.8642 555789.0197 -1.3100 -1.4453 PRESSURE: 1037600 -248.311 138.721 -30.236 138.721 -243.365 151.94 -30.2372 151.938 -231.298 GPRESSURE: 1037600 -222.913 166.28 54.0573 130.89 -227.219 68.4483 -105.438 67.5485 -172.439 PRESSAVG: 1037600 38.0635 44.8964 53.6133 44.8964 42.3651 6.09011 53.6132 6.09014 -53.3483 GPRESSAVG: 1037600 38.509 44.1215 51.0866 43.3883 42.4677 5.52518 54.3859 8.45351 -53.307 TIMING: 1037600 CPU: 3091.85, 0.00298619/step Wall: 3091.85, 0.00298619/step, 3.2868 hours remaining, 206.843750 MB of memory in use. ENERGY: 1037600 776.6979 2011.7133 1925.3919 105.3701 -205970.6998 17469.8750 0.0000 0.0000 34222.0292 -149459.6223 298.8695 -183681.6515 -149355.5794 298.7079 -240.9915 -207.5239 556637.5548 9.0268 9.2232 PRESSURE: 1037800 -66.4876 123.73 189.702 123.728 -132.744 94.9099 189.702 94.9095 -221.555 GPRESSURE: 1037800 26.8669 81.5341 112.21 175.077 -164.096 50.1018 169.313 86.346 -170.55 PRESSAVG: 1037800 17.3101 57.5336 22.848 57.5335 6.36775 19.5477 22.848 19.5477 -34.6517 GPRESSAVG: 1037800 19.0881 56.9168 23.8664 58.6859 5.43766 18.5277 21.0662 19.8262 -34.7471 TIMING: 1037800 CPU: 3092.45, 0.00299906/step Wall: 3092.45, 0.00299906/step, 3.3008 hours remaining, 206.843750 MB of memory in use. ENERGY: 1037800 772.1666 2108.8669 1909.1963 106.2880 -206086.3400 17630.9321 0.0000 0.0000 34046.7661 -149512.1239 297.3389 -183558.8900 -149409.6284 298.4528 -140.2620 -102.5933 556091.0233 -3.6580 -3.4071 PRESSURE: 1038000 -479.821 -49.0628 -23.8198 -49.062 6.03316 -13.2389 -23.8199 -13.2391 -123.128 GPRESSURE: 1038000 -449.497 -7.39035 -23.3263 -80.4959 22.831 -9.15 -58.8055 -78.309 -67.8698 PRESSAVG: 1038000 -61.346 21.4321 45.4012 21.4321 45.3232 -20.2019 45.4012 -20.2019 -5.94138 GPRESSAVG: 1038000 -62.2389 22.0813 46.9395 20.8389 46.1617 -18.0014 44.2017 -20.3307 -6.69354 TIMING: 1038000 CPU: 3093.04, 0.00299492/step Wall: 3093.04, 0.00299492/step, 3.29608 hours remaining, 206.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1038000 715.1074 2084.0203 1925.5890 101.5811 -206175.3788 17564.8328 0.0000 0.0000 34224.5928 -149559.6555 298.8919 -183784.2483 -149459.2212 298.7451 -198.9721 -164.8452 558139.6959 -7.3214 -7.5902 PRESSURE: 1038200 -101.611 21.0046 -17.1963 21.0036 -375.083 0.0690192 -17.1953 0.0685522 -161.123 GPRESSURE: 1038200 -33.5995 112.499 -83.5802 3.01814 -377.981 -37.991 75.5541 -14.868 -119.022 PRESSAVG: 1038200 6.30386 -34.2634 -45.1754 -34.2634 7.64128 -17.0844 -45.1754 -17.0843 -3.91399 GPRESSAVG: 1038200 6.58885 -31.8432 -48.1048 -34.9391 8.74494 -17.7578 -42.6721 -17.6281 -5.50819 TIMING: 1038200 CPU: 3093.65, 0.00300984/step Wall: 3093.65, 0.00300984/step, 3.31233 hours remaining, 206.843750 MB of memory in use. ENERGY: 1038200 769.0186 2086.8979 1935.6436 107.1749 -206071.9363 17561.5054 0.0000 0.0000 34009.3016 -149602.3943 297.0117 -183611.6958 -149505.6949 297.9897 -212.6058 -176.8675 557911.1214 3.3437 3.2752 PRESSURE: 1038400 -140.799 17.6331 -223.521 17.6348 256.574 62.9187 -223.52 62.918 -201.983 GPRESSURE: 1038400 -68.3691 -64.8529 -208.499 83.9798 294.578 20.6892 -201.084 104.201 -209.795 PRESSAVG: 1038400 14.0438 19.7973 2.85145 19.7974 20.6314 7.57901 2.85151 7.57894 0.289999 GPRESSAVG: 1038400 13.3215 16.1459 3.15358 21.963 20.3879 7.0492 2.79408 8.20183 1.67181 TIMING: 1038400 CPU: 3094.25, 0.00300214/step Wall: 3094.25, 0.00300214/step, 3.30369 hours remaining, 206.843750 MB of memory in use. ENERGY: 1038400 728.2369 2086.1664 1914.3294 108.2738 -206655.5369 17866.1772 0.0000 0.0000 34386.6785 -149565.6746 300.3074 -183952.3532 -149469.1782 298.2567 -28.7358 5.4714 555574.9208 11.6551 11.7937 PRESSURE: 1038600 -264.115 -85.1303 3.61611 -85.1309 -97.0236 -191.44 3.61514 -191.44 -62.3875 GPRESSURE: 1038600 -194.898 -77.4954 44.5652 -152.299 -62.2349 -191.707 -51.7864 -206.212 -82.9654 PRESSAVG: 1038600 -0.37505 -22.4841 2.2344 -22.4843 41.7149 47.1275 2.23444 47.1275 -40.5146 GPRESSAVG: 1038600 -0.483682 -20.3677 3.89373 -24.225 41.5761 47.7721 0.164899 45.1505 -40.6607 TIMING: 1038600 CPU: 3094.85, 0.00301713/step Wall: 3094.85, 0.00301713/step, 3.32001 hours remaining, 206.843750 MB of memory in use. ENERGY: 1038600 750.5250 2091.9412 1937.1984 103.2660 -206112.2760 17703.4491 0.0000 0.0000 34051.1764 -149474.7199 297.3774 -183525.8963 -149384.2392 298.7421 -141.1752 -113.3661 556376.6455 0.2751 0.1439 PRESSURE: 1038800 223.277 -142.415 7.70827 -142.416 328.5 127.756 7.708 127.756 151.938 GPRESSURE: 1038800 206.775 -105.538 -16.2806 -175.759 367.668 155.289 71.4496 131.343 219.719 PRESSAVG: 1038800 -26.5899 -46.4468 73.4888 -46.4468 17.5224 -10.2634 73.4888 -10.2635 -41.2611 GPRESSAVG: 1038800 -26.3558 -45.2582 73.4298 -47.2649 16.7907 -10.5623 74.7414 -8.86877 -40.5515 TIMING: 1038800 CPU: 3095.45, 0.00297957/step Wall: 3095.45, 0.00297957/step, 3.27852 hours remaining, 206.843750 MB of memory in use. ENERGY: 1038800 747.5151 2086.9496 1942.5098 106.9593 -206639.2541 18217.7173 0.0000 0.0000 34151.4268 -149386.1761 298.2529 -183537.6029 -149290.2848 298.9386 234.5716 264.7208 556812.7733 -16.7762 -16.7056 PRESSURE: 1039000 15.7963 130.581 44.7964 130.581 -171.335 -86.338 44.7975 -86.3388 59.6608 GPRESSURE: 1039000 39.6798 102.2 88.2209 187.849 -101.526 -3.73692 149.713 -132.896 70.7645 PRESSAVG: 1039000 36.6072 5.42085 43.2879 5.42091 -15.9511 5.64668 43.2879 5.6467 -52.1825 GPRESSAVG: 1039000 36.3069 4.3512 42.3689 4.30859 -15.687 6.28959 44.3504 3.86808 -52.1932 TIMING: 1039000 CPU: 3096.04, 0.00298734/step Wall: 3096.04, 0.00298734/step, 3.2869 hours remaining, 206.843750 MB of memory in use. ENERGY: 1039000 761.2816 2088.6644 1895.9664 123.0239 -206073.3461 17710.6505 0.0000 0.0000 34264.8855 -149228.8738 299.2438 -183493.7593 -149134.8000 299.2406 -31.9592 2.9727 557781.8688 -10.5088 -10.5244 PRESSURE: 1039200 -113.078 28.421 208.644 28.4204 164.919 32.018 208.644 32.0163 -30.4487 GPRESSURE: 1039200 -84.8718 137.979 204.419 21.876 207.897 -28.6965 173.11 77.4887 0.831044 PRESSAVG: 1039200 31.972 -5.73817 57.6241 -5.73826 -40.8795 43.3581 57.6241 43.3581 12.5224 GPRESSAVG: 1039200 32.1667 -4.62772 57.3411 -5.44972 -39.6417 41.9075 58.9135 43.319 11.4408 TIMING: 1039200 CPU: 3096.64, 0.00296349/step Wall: 3096.64, 0.00296349/step, 3.26049 hours remaining, 206.843750 MB of memory in use. ENERGY: 1039200 748.6752 2070.6047 1924.1481 110.0271 -205770.5122 17600.9864 0.0000 0.0000 34190.8549 -149125.2157 298.5972 -183316.0706 -149027.9147 299.0472 7.1305 41.2853 557264.6177 1.2049 1.3219 PRESSURE: 1039400 -66.6669 -27.2448 -45.0282 -27.2448 -213.619 5.77751 -45.0278 5.77708 -18.6205 GPRESSURE: 1039400 -55.9368 8.63481 -12.2097 -1.89851 -183.767 9.78738 -9.2129 198.179 34.5214 PRESSAVG: 1039400 1.803 -4.95415 -3.77353 -4.95416 16.7606 54.5873 -3.77347 54.5872 -60.9844 GPRESSAVG: 1039400 1.85928 -4.81951 -3.14611 -3.67803 15.3425 55.8176 -5.28176 54.4913 -59.6321 TIMING: 1039400 CPU: 3097.23, 0.0029808/step Wall: 3097.23, 0.0029808/step, 3.27938 hours remaining, 206.843750 MB of memory in use. ENERGY: 1039400 751.7441 2109.5666 1935.1864 111.0388 -205922.6336 17634.6850 0.0000 0.0000 34315.9420 -149064.4708 299.6897 -183380.4128 -148956.4687 299.3340 -99.6356 -68.3942 557059.9765 -14.1403 -14.1435 PRESSURE: 1039600 204.482 99.5045 -165.834 99.5048 309.4 80.1669 -165.836 80.166 86.04 GPRESSURE: 1039600 234.483 99.0745 -113.579 124.913 403.28 128.921 -154.067 12.6933 60.1406 PRESSAVG: 1039600 8.58827 2.69815 15.3113 2.69815 42.219 11.194 15.3113 11.194 -49.1974 GPRESSAVG: 1039600 9.66562 1.77541 18.2334 2.96054 42.3696 10.3825 13.9278 11.8227 -50.8794 TIMING: 1039600 CPU: 3097.83, 0.00299674/step Wall: 3097.83, 0.00299674/step, 3.29675 hours remaining, 206.843750 MB of memory in use. ENERGY: 1039600 729.6996 2065.6526 1945.3526 116.2507 -206328.0470 18033.3321 0.0000 0.0000 34272.6127 -149165.1467 299.3113 -183437.7594 -149062.0504 299.6508 199.9740 232.6348 554784.0202 0.5366 0.3853 PRESSURE: 1039800 52.6557 67.8871 -64.9818 67.8867 -393.745 27.144 -64.9824 27.1444 -55.9954 GPRESSURE: 1039800 89.7851 17.1226 -85.5828 31.3878 -384.126 60.5237 -83.9515 37.217 12.8106 PRESSAVG: 1039800 -32.483 -9.4656 -20.3312 -9.46571 1.89626 -39.5413 -20.3312 -39.5413 -29.4198 GPRESSAVG: 1039800 -33.305 -10.328 -25.6535 -10.8464 1.2959 -38.6652 -17.2331 -38.5277 -27.901 TIMING: 1039800 CPU: 3098.43, 0.00298132/step Wall: 3098.43, 0.00298132/step, 3.27962 hours remaining, 206.843750 MB of memory in use. ENERGY: 1039800 794.7356 2000.4224 1969.6634 104.7487 -205876.5434 17580.8355 0.0000 0.0000 34353.8755 -149072.2623 300.0209 -183426.1378 -148975.6373 300.1219 -132.3617 -93.8435 555964.6136 -20.0022 -19.9700 PRESSURE: 1040000 -528.711 -43.3926 -36.498 -43.3934 -70.3177 197.871 -36.4982 197.871 -75.0918 GPRESSURE: 1040000 -513.729 -65.9736 75.7151 1.7888 6.68893 171.721 -97.7797 231.139 -60.346 PRESSAVG: 1040000 -76.83 -26.9345 9.53948 -26.9344 5.76753 -12.3095 9.53944 -12.3095 88.2598 GPRESSAVG: 1040000 -77.1308 -25.5052 11.3805 -27.9489 6.41777 -13.2298 7.10424 -12.3909 87.5413 TIMING: 1040000 CPU: 3099.02, 0.00297155/step Wall: 3099.02, 0.00297155/step, 3.2687 hours remaining, 206.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1040000 784.2774 2078.2384 1939.9860 95.8011 -205373.0924 17255.5726 0.0000 0.0000 34373.0606 -148846.1563 300.1885 -183219.2169 -148748.6913 300.6291 -224.7069 -189.1286 556895.7742 5.7324 5.6094 PRESSURE: 1040200 -351.404 -76.7984 90.5913 -76.7991 -8.69013 107.24 90.5925 107.239 -236.213 GPRESSURE: 1040200 -251.488 -65.6873 49.9773 -73.0623 -58.5414 73.9123 79.2711 35.3375 -169.405 PRESSAVG: 1040200 -22.1273 45.2543 17.1341 45.2543 -34.4697 10.1619 17.1342 10.1619 54.2798 GPRESSAVG: 1040200 -21.5384 43.5877 17.0753 47.0743 -35.4694 11.626 17.0756 9.41953 54.5437 TIMING: 1040200 CPU: 3099.62, 0.00297496/step Wall: 3099.62, 0.00297496/step, 3.27229 hours remaining, 206.843750 MB of memory in use. ENERGY: 1040200 762.3438 2101.2947 1939.9590 107.4266 -205728.6876 17584.3192 0.0000 0.0000 34286.1864 -148947.1579 299.4298 -183233.3444 -148850.4449 300.5897 -198.7689 -159.8113 557566.4191 -0.7724 -0.8214 LDB: ============= START OF LOAD BALANCING ============== 3103.16 LDB: ============== END OF LOAD BALANCING =============== 3103.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3103.16 LDB: ============= START OF LOAD BALANCING ============== 3103.46 LDB: Largest compute 4773 load 0.025301 is 21.4% of average load 0.118234 LDB: Average compute 0.001720 is 1.5% of average load 0.118234 LDB: TIME 3103.46 LOAD: AVG 0.118234 MAX 0.205526 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.156 MB LDB: TIME 3103.46 LOAD: AVG 0.118234 MAX 0.205526 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.359 MB LDB: TIME 3103.46 LOAD: AVG 0.118234 MAX 0.205526 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3103.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3103.47 PRESSURE: 1040400 -78.4611 101.563 15.361 101.562 -151.738 -59.5125 15.3601 -59.5133 -108.584 GPRESSURE: 1040400 -74.3807 79.891 -39.3719 90.91 -125.366 -67.3784 -4.19783 -105.137 -42.6222 PRESSAVG: 1040400 23.5898 -20.4085 -34.3037 -20.4084 45.5087 21.3467 -34.3037 21.3466 -32.7745 GPRESSAVG: 1040400 22.7481 -18.8463 -32.7423 -21.3107 47.9614 19.668 -35.1801 24.5244 -34.9277 TIMING: 1040400 CPU: 3100.22, 0.00300503/step Wall: 3100.22, 0.00300503/step, 3.30519 hours remaining, 207.414062 MB of memory in use. ENERGY: 1040400 741.2351 2111.0960 1914.0178 112.5258 -205809.1385 17503.8763 0.0000 0.0000 34397.4073 -149028.9801 300.4011 -183426.3874 -148934.1891 300.0031 -112.9276 -80.7898 557241.7842 12.1080 11.9273 PRESSURE: 1040600 103.48 -27.7288 -95.699 -27.7298 147.617 -98.6126 -95.698 -98.6141 -18.4263 GPRESSURE: 1040600 139.979 32.3473 -157.46 -56.5095 159.524 -9.06158 24.5584 -133.27 31.5648 PRESSAVG: 1040600 -0.0180595 2.87997 -20.3949 2.87998 -46.8821 -68.9302 -20.3949 -68.9303 39.2079 GPRESSAVG: 1040600 -0.21989 1.65097 -21.2906 3.68389 -48.3135 -66.0839 -19.0137 -71.3285 40.764 TIMING: 1040600 CPU: 3100.81, 0.00294841/step Wall: 3100.81, 0.00294841/step, 3.24275 hours remaining, 207.414062 MB of memory in use. ENERGY: 1040600 706.9384 2127.7447 1931.3699 99.3590 -205932.7727 17696.0594 0.0000 0.0000 34322.4151 -149048.8863 299.7462 -183371.3014 -148950.6083 300.4105 77.5569 110.3557 556716.1268 -2.5641 -2.5898 PRESSURE: 1040800 -64.7131 12.8786 88.9341 12.8787 84.9915 -163.951 88.9338 -163.951 -211.555 GPRESSURE: 1040800 -6.82941 -23.7099 93.453 69.2965 133.711 -187.633 40.6008 -155.074 -231.038 PRESSAVG: 1040800 -22.1256 11.0618 -59.7951 11.0619 50.3485 -1.53681 -59.795 -1.53673 -6.2563 GPRESSAVG: 1040800 -21.4051 10.4116 -59.9169 12.9224 50.4894 -3.4161 -58.8839 -0.88062 -6.86384 TIMING: 1040800 CPU: 3101.4, 0.00295497/step Wall: 3101.4, 0.00295497/step, 3.24981 hours remaining, 207.414062 MB of memory in use. ENERGY: 1040800 747.1382 2117.0688 1925.2518 117.1963 -206225.0553 17684.6271 0.0000 0.0000 34537.6355 -149096.1376 301.6258 -183633.7732 -148996.6860 300.5412 -63.7589 -34.7190 556816.9860 7.3222 7.4068 PRESSURE: 1041000 60.7504 245.964 -106.371 245.964 91.7387 -53.2619 -106.371 -53.2625 -87.4402 GPRESSURE: 1041000 100.384 300.883 5.33656 162.23 155.665 -67.2088 -149.513 -89.4544 -98.4537 PRESSAVG: 1041000 41.9698 41.3188 -17.6944 41.3187 6.78434 -1.74362 -17.6944 -1.74367 -69.2405 GPRESSAVG: 1041000 41.9648 42.5508 -17.815 39.0257 7.25752 -1.93774 -18.8902 -2.35029 -68.7548 TIMING: 1041000 CPU: 3101.99, 0.00294933/step Wall: 3101.99, 0.00294933/step, 3.24344 hours remaining, 207.414062 MB of memory in use. ENERGY: 1041000 768.7374 2080.1705 1943.0314 126.1663 -206160.5728 17982.1162 0.0000 0.0000 34199.7220 -149060.6288 298.6747 -183260.3509 -148961.4162 300.7949 21.6830 52.5318 557833.7456 -6.8288 -6.5108 PRESSURE: 1041200 -132.99 245.745 165.21 245.744 130.812 -31.759 165.208 -31.7592 -298.331 GPRESSURE: 1041200 -34.1802 167.143 165.226 208.483 87.8645 4.29826 81.774 -86.4701 -246.516 PRESSAVG: 1041200 71.9705 5.63998 -16.3344 5.64006 -64.503 17.0547 -16.3344 17.0547 -46.3635 GPRESSAVG: 1041200 73.7058 6.21258 -15.4125 5.5852 -64.8044 19.1785 -15.5407 15.8148 -47.1115 TIMING: 1041200 CPU: 3102.58, 0.00295303/step Wall: 3102.58, 0.00295303/step, 3.24735 hours remaining, 207.414062 MB of memory in use. ENERGY: 1041200 775.3931 2063.8317 1916.5252 105.3634 -206102.6842 17758.0644 0.0000 0.0000 34399.2970 -149084.2094 300.4176 -183483.5065 -148989.3525 300.0982 -100.1699 -64.2773 556933.1080 -12.9654 -12.7367 PRESSURE: 1041400 -151.02 39.4161 190.873 39.4169 -201.623 179.976 190.873 179.975 -236.988 GPRESSURE: 1041400 -112.157 98.0781 166.038 27.9003 -167.835 174.434 153.003 119.522 -217.828 PRESSAVG: 1041400 69.3262 -41.2074 -12.2628 -41.2074 -61.9382 -0.863726 -12.2627 -0.863672 -1.68321 GPRESSAVG: 1041400 68.6373 -40.0819 -13.5839 -39.3024 -62.4881 -1.97985 -11.0645 -1.17869 -0.882233 TIMING: 1041400 CPU: 3103.17, 0.002957/step Wall: 3103.17, 0.002957/step, 3.25155 hours remaining, 207.414062 MB of memory in use. ENERGY: 1041400 758.6798 2080.7917 1953.8536 125.6157 -205912.2788 17439.9678 0.0000 0.0000 34202.2557 -149351.1145 298.6968 -183553.3702 -149252.7105 299.6188 -196.5437 -165.9402 557277.3396 1.9016 1.7557 PRESSURE: 1041600 143.001 107.402 31.8728 107.402 125.812 65.2579 31.8723 65.258 197.506 GPRESSURE: 1041600 122.233 115.635 97.632 107.665 229.153 8.6837 84.8304 90.7358 211.626 PRESSAVG: 1041600 46.9036 -4.68109 40.5498 -4.68113 -54.1101 -22.5574 40.5497 -22.5574 -27.8306 GPRESSAVG: 1041600 47.1082 -5.83891 40.6024 -6.13512 -53.8119 -21.994 41.2912 -22.2927 -27.7208 TIMING: 1041600 CPU: 3103.76, 0.00295455/step Wall: 3103.76, 0.00295455/step, 3.24869 hours remaining, 207.414062 MB of memory in use. ENERGY: 1041600 730.9286 2015.7821 1931.8270 123.4617 -206183.8878 18010.8850 0.0000 0.0000 34010.7797 -149360.2238 297.0246 -183371.0035 -149267.6559 299.2327 155.4398 187.6706 557380.8151 -11.6790 -11.4748 PRESSURE: 1041800 -51.0853 -48.1191 -34.5398 -48.1182 -71.7298 125.119 -34.5384 125.119 -76.1709 GPRESSURE: 1041800 22.2031 -114.804 -17.2403 -45.7752 5.49872 161.566 -82.8536 106.657 -128.575 PRESSAVG: 1041800 71.2815 56.8362 -2.22341 56.8363 -113.54 0.735453 -2.22341 0.735328 55.8855 GPRESSAVG: 1041800 70.138 58.7333 0.951563 57.2996 -113.094 -1.08502 -4.78942 2.44831 55.8761 TIMING: 1041800 CPU: 3104.36, 0.00297043/step Wall: 3104.36, 0.00297043/step, 3.26598 hours remaining, 207.414062 MB of memory in use. ENERGY: 1041800 715.2444 2052.9561 1925.1311 112.3781 -206203.4795 17751.5285 0.0000 0.0000 34354.3398 -149291.9016 300.0250 -183646.2414 -149199.8935 298.9692 -66.3286 -33.6243 557226.8722 4.5422 4.3066 PRESSURE: 1042000 -242.081 -138.376 -28.1884 -138.377 -155.755 75.8315 -28.1889 75.8336 -222.104 GPRESSURE: 1042000 -126.973 -94.2789 -41.6807 -85.171 -221.323 80.6806 -5.37902 84.1071 -178.163 PRESSAVG: 1042000 56.9702 -15.8576 -3.77734 -15.8576 -76.9744 41.6363 -3.77738 41.6362 32.3509 GPRESSAVG: 1042000 58.9865 -17.2632 -5.92114 -16.3274 -77.4135 41.2749 -4.70019 41.3037 31.1253 TIMING: 1042000 CPU: 3104.95, 0.00298304/step Wall: 3104.95, 0.00298304/step, 3.27969 hours remaining, 207.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1042000 787.1560 2143.1889 1918.4641 111.7392 -205808.3069 17431.0177 0.0000 0.0000 34276.4798 -149140.2612 299.3450 -183416.7410 -149047.9269 299.6284 -206.6470 -175.4862 556947.3427 4.1156 4.2327 PRESSURE: 1042200 -52.1936 95.5728 139.732 95.5727 -284.673 -9.04207 139.73 -9.04202 95.9954 GPRESSURE: 1042200 -92.3892 144.377 136.925 29.563 -194.213 -8.84391 95.0573 10.8729 131.39 PRESSAVG: 1042200 27.8135 36.4324 22.4745 36.4323 -12.3537 5.08764 22.4744 5.08761 12.8319 GPRESSAVG: 1042200 26.0664 37.5629 20.7189 36.4645 -11.9022 8.15112 24.7284 4.4434 13.6959 TIMING: 1042200 CPU: 3105.55, 0.00297001/step Wall: 3105.55, 0.00297/step, 3.26519 hours remaining, 207.414062 MB of memory in use. ENERGY: 1042200 773.8126 2036.2739 1912.5975 116.4791 -206119.3201 17758.9946 0.0000 0.0000 34425.6797 -149095.4826 300.6480 -183521.1623 -148997.2850 300.0601 -80.2904 -51.7371 558119.0348 9.4306 9.2867 PRESSURE: 1042400 19.3755 2.1498 -6.1319 2.15037 121.831 -60.8706 -6.13205 -60.8726 31.1295 GPRESSURE: 1042400 65.1951 -14.983 16.6962 -75.0106 153.44 -7.19309 -10.4514 -46.7148 41.1281 PRESSAVG: 1042400 21.1439 40.7475 59.5816 40.7475 15.0729 -55.1571 59.5815 -55.1571 -35.994 GPRESSAVG: 1042400 22.2412 41.2875 60.1322 40.3471 13.9555 -56.6373 57.223 -54.4142 -35.9985 TIMING: 1042400 CPU: 3106.14, 0.00297074/step Wall: 3106.14, 0.00297074/step, 3.26584 hours remaining, 207.414062 MB of memory in use. ENERGY: 1042400 734.4615 2097.3507 1912.9828 116.2774 -206230.9517 17755.6225 0.0000 0.0000 34485.1388 -149129.1181 301.1673 -183614.2569 -149036.6389 300.1602 57.4452 86.5876 557012.2221 0.0742 0.0661 PRESSURE: 1042600 94.5737 37.0371 -82.8406 37.0382 71.7743 55.0197 -82.8422 55.0209 -146.249 GPRESSURE: 1042600 116.061 35.5218 -119.011 12.3466 84.314 48.6283 -57.6385 84.4375 -89.592 PRESSAVG: 1042600 15.9976 -0.683375 16.7649 -0.683287 -4.82047 3.30869 16.7648 3.30861 -25.5693 GPRESSAVG: 1042600 16.4458 -1.83005 19.0453 0.664174 -4.41389 3.82081 17.9751 2.51505 -26.5131 TIMING: 1042600 CPU: 3106.74, 0.00300496/step Wall: 3106.74, 0.00300496/step, 3.30328 hours remaining, 207.414062 MB of memory in use. ENERGY: 1042600 725.0685 2093.3795 1940.1363 107.2156 -206518.6303 17903.4739 0.0000 0.0000 34547.3388 -149202.0176 301.7105 -183749.3564 -149112.8836 300.3005 6.6996 36.9276 556486.0332 -4.7974 -4.8271 PRESSURE: 1042800 -167.993 174.788 -65.811 174.789 156.438 -76.8475 -65.8121 -76.8473 -23.9343 GPRESSURE: 1042800 -67.2079 154.767 -68.5874 193.901 168.082 -50.2156 -91.3305 -69.6781 -42.1483 PRESSAVG: 1042800 -26.4852 -3.66993 18.85 -3.6698 -24.3477 6.49919 18.85 6.49919 23.9474 GPRESSAVG: 1042800 -27.9588 -4.45021 17.524 -3.50709 -22.6664 5.58491 19.4524 8.17369 24.1115 TIMING: 1042800 CPU: 3107.33, 0.00296385/step Wall: 3107.33, 0.00296385/step, 3.25793 hours remaining, 207.414062 MB of memory in use. ENERGY: 1042800 722.8884 2087.1141 1954.8196 122.9506 -206182.6359 17700.1524 0.0000 0.0000 34357.8225 -149236.8883 300.0554 -183594.7107 -149139.2877 299.7274 -11.8298 19.5751 556704.1227 -8.9618 -8.8379 PRESSURE: 1043000 55.4264 88.3808 340.458 88.3805 -39.1803 -63.4695 340.457 -63.4694 11.2237 GPRESSURE: 1043000 36.3187 89.7146 372.792 18.6567 2.35774 -98.3883 351.714 -86.7756 73.1272 PRESSAVG: 1043000 -13.7546 35.6158 27.0732 35.6158 46.6963 -8.70632 27.0732 -8.7063 -28.2881 GPRESSAVG: 1043000 -13.2224 36.1228 26.931 35.3355 45.4714 -9.55486 26.0488 -10.7783 -27.6723 TIMING: 1043000 CPU: 3107.93, 0.00298807/step Wall: 3107.93, 0.00298807/step, 3.28438 hours remaining, 207.414062 MB of memory in use. ENERGY: 1043000 728.4103 2062.9463 1934.9691 104.1490 -205928.9686 17606.5434 0.0000 0.0000 34189.4072 -149302.5433 298.5846 -183491.9505 -149200.7108 299.2523 9.1566 37.2679 556756.7234 1.5512 1.5255 PRESSURE: 1043200 39.119 47.107 155.624 47.1067 -171.289 -0.0333868 155.624 -0.0343519 -43.9466 GPRESSURE: 1043200 50.94 33.2488 112.696 36.4399 -102.671 39.9016 165.188 16.0589 -25.2388 PRESSAVG: 1043200 3.89123 -0.437288 0.586207 -0.437289 -2.75897 2.31499 0.586192 2.31501 -23.1007 GPRESSAVG: 1043200 4.28665 -1.87912 1.64884 -0.342376 -3.54968 3.41183 -0.63487 3.52689 -22.5472 TIMING: 1043200 CPU: 3108.53, 0.00298222/step Wall: 3108.53, 0.00298222/step, 3.2778 hours remaining, 207.414062 MB of memory in use. ENERGY: 1043200 753.0789 2067.3098 1944.0026 116.1578 -206283.7467 17852.9772 0.0000 0.0000 34295.1032 -149255.1172 299.5077 -183550.2205 -149162.9965 299.1342 -58.7056 -25.6566 557657.2044 -7.3228 -7.2701 PRESSURE: 1043400 161.041 -110.704 -46.8789 -110.704 206.648 -18.4027 -46.8796 -18.4027 -132.378 GPRESSURE: 1043400 179.772 -35.7358 -41.3491 -175.477 266.318 -34.4687 -64.8675 -48.198 -123.781 PRESSAVG: 1043400 27.0297 -8.96612 31.9507 -8.96613 27.177 34.1203 31.9508 34.1204 0.599704 GPRESSAVG: 1043400 26.0737 -8.50265 28.9733 -9.07102 28.4795 32.9141 33.5645 34.4084 0.894948 TIMING: 1043400 CPU: 3109.12, 0.00293992/step Wall: 3109.12, 0.00293992/step, 3.23114 hours remaining, 207.414062 MB of memory in use. ENERGY: 1043400 728.1214 2044.7256 1903.4613 108.3568 -206254.3376 17802.4825 0.0000 0.0000 34528.6742 -149138.5158 301.5475 -183667.1900 -149041.8821 300.0683 78.4369 107.4365 556576.0410 18.2688 18.4827 PRESSURE: 1043600 228.38 -140.812 32.0542 -140.812 -112.561 113.226 32.0536 113.227 76.0484 GPRESSURE: 1043600 218.469 -79.9395 114.579 -126.182 -28.0824 64.1876 86.9418 167.02 87.2038 PRESSAVG: 1043600 -13.6722 34.6823 18.0937 34.6825 -43.4062 52.4383 18.0937 52.4383 4.69668 GPRESSAVG: 1043600 -12.1129 34.4295 18.8505 34.1174 -44.4013 52.1646 18.6477 53.8219 3.17673 TIMING: 1043600 CPU: 3109.71, 0.00294803/step Wall: 3109.71, 0.00294803/step, 3.23988 hours remaining, 207.414062 MB of memory in use. ENERGY: 1043600 776.1220 2039.1649 1909.2249 109.1684 -206407.9030 18207.7775 0.0000 0.0000 34195.9773 -149170.4680 298.6420 -183366.4453 -149072.7065 298.7530 63.9559 92.5303 558931.8343 -17.4606 -17.7792 PRESSURE: 1043800 -73.1408 14.6146 139.911 14.6155 129.851 44.222 139.912 44.2219 -71.3848 GPRESSURE: 1043800 -5.82226 -29.5862 141.327 64.6781 82.1659 -16.0437 203.33 64.5592 5.83411 PRESSAVG: 1043800 -2.10543 49.3319 -22.4293 49.3319 -55.4996 30.5458 -22.4294 30.5457 70.6714 GPRESSAVG: 1043800 -1.84881 51.2482 -22.528 48.7762 -55.0832 32.6607 -23.3455 28.2894 69.9697 TIMING: 1043800 CPU: 3110.3, 0.00297866/step Wall: 3110.3, 0.00297866/step, 3.27338 hours remaining, 207.414062 MB of memory in use. ENERGY: 1043800 763.3501 2143.7702 1908.8379 105.3205 -206088.3018 17842.1147 0.0000 0.0000 34106.6451 -149218.2632 297.8618 -183324.9083 -149118.5654 298.9376 -4.8914 27.3926 559062.6177 4.3554 4.3459 PRESSURE: 1044000 -557.96 71.8364 13.6669 71.8357 -211.779 27.6072 13.6685 27.6073 -268.253 GPRESSURE: 1044000 -519.383 38.1117 67.6157 17.3253 -146.71 -72.0599 -2.42022 53.9284 -273.597 PRESSAVG: 1044000 -66.9319 29.6308 8.43172 29.6308 36.3776 11.6795 8.43162 11.6795 48.2633 GPRESSAVG: 1044000 -66.7867 29.7352 7.33967 28.7905 35.5476 10.9732 9.13964 12.0994 49.3062 TIMING: 1044000 CPU: 3110.89, 0.00295267/step Wall: 3110.89, 0.00295267/step, 3.24466 hours remaining, 207.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1044000 730.5138 2067.7167 1955.6999 118.6536 -205290.1858 17203.6922 0.0000 0.0000 34161.5056 -149052.4039 298.3409 -183213.9095 -148960.2645 299.3307 -345.9972 -313.2302 559480.8793 5.9030 6.0224 PRESSURE: 1044200 -64.1911 -113.865 -45.462 -113.865 234.163 59.7478 -45.4631 59.7469 7.86871 GPRESSURE: 1044200 -28.4241 -90.0384 21.4392 -124.8 266.227 189.531 -46.4282 15.3253 47.4668 PRESSAVG: 1044200 -15.8936 6.74832 49.7595 6.74834 0.525876 16.2516 49.7595 16.2516 22.5212 GPRESSAVG: 1044200 -16.8097 6.59122 51.6569 7.28498 1.36446 17.9669 49.8181 14.966 22.1108 TIMING: 1044200 CPU: 3111.49, 0.00298404/step Wall: 3111.49, 0.00298404/step, 3.27897 hours remaining, 207.414062 MB of memory in use. ENERGY: 1044200 726.9707 2025.5671 1927.2312 106.8898 -206064.7364 17796.8595 0.0000 0.0000 34537.6934 -148943.5247 301.6263 -183481.2180 -148853.2103 299.8780 59.2802 95.0901 557085.6308 2.3845 2.2219 LDB: ============= START OF LOAD BALANCING ============== 3115.04 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3115.04 LDB: =============== DONE WITH MIGRATION ================ 3115.04 LDB: ============= START OF LOAD BALANCING ============== 3115.34 LDB: Largest compute 4773 load 0.026812 is 22.7% of average load 0.118160 LDB: Average compute 0.001718 is 1.5% of average load 0.118160 LDB: TIME 3115.34 LOAD: AVG 0.11816 MAX 0.204515 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 3115.34 LOAD: AVG 0.11816 MAX 0.204515 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.238 MB LDB: TIME 3115.34 LOAD: AVG 0.11816 MAX 0.204515 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.238 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3115.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3115.35 PRESSURE: 1044400 9.80795 29.1629 118.842 29.1626 -133.792 -95.8516 118.842 -95.8511 -120.02 GPRESSURE: 1044400 22.9011 -48.4639 121.466 66.0382 -117.646 -139.311 76.2908 -174.072 -50.7436 PRESSAVG: 1044400 -65.6103 63.3104 2.36047 63.3104 -1.90732 9.15253 2.36042 9.15257 46.9875 GPRESSAVG: 1044400 -65.201 62.7499 2.33733 65.6134 -3.13593 8.88544 2.18478 9.33826 47.5344 TIMING: 1044400 CPU: 3112.1, 0.00304653/step Wall: 3112.1, 0.00304653/step, 3.34746 hours remaining, 207.480469 MB of memory in use. ENERGY: 1044400 732.2812 2126.4948 1902.2731 132.9373 -206159.1312 17700.0069 0.0000 0.0000 34414.0823 -149151.0554 300.5467 -183565.1378 -149052.6484 300.0276 -81.3347 -48.4962 558876.9149 -6.8434 -6.9342 PRESSURE: 1044600 301.48 18.8285 154.936 18.829 218.294 -110.423 154.935 -110.423 29.9203 GPRESSURE: 1044600 343.436 75.1766 140.21 60.2173 263.567 -125.777 122.431 -89.0798 44.4882 PRESSAVG: 1044600 -43.8027 55.5631 51.9573 55.5631 6.40443 -16.25 51.9573 -16.25 -13.0727 GPRESSAVG: 1044600 -43.626 56.1182 52.6415 53.2666 6.76599 -16.4215 51.9662 -16.3976 -13.5792 TIMING: 1044600 CPU: 3112.7, 0.00301579/step Wall: 3112.7, 0.00301579/step, 3.31351 hours remaining, 207.480469 MB of memory in use. ENERGY: 1044600 736.2142 2129.7466 1952.3465 121.1199 -206255.3916 18018.2313 0.0000 0.0000 34241.9306 -149055.8025 299.0433 -183297.7332 -148966.1271 300.1659 183.2313 217.1639 557554.8177 -16.8236 -16.8131 PRESSURE: 1044800 190.072 -5.55103 -9.37464 -5.55053 90.7252 -7.64084 -9.374 -7.64193 -24.3745 GPRESSURE: 1044800 201.072 65.3484 -11.8495 -25.7878 114.66 -9.94254 -125.417 29.9335 20.7129 PRESSAVG: 1044800 54.7383 16.9747 10.9999 16.9746 21.9812 -14.8777 11 -14.8775 -43.1029 GPRESSAVG: 1044800 55.3742 17.6303 9.44305 17.7009 20.8603 -15.0186 10.2292 -12.926 -42.7206 TIMING: 1044800 CPU: 3113.3, 0.00301108/step Wall: 3113.3, 0.00301108/step, 3.30817 hours remaining, 207.480469 MB of memory in use. ENERGY: 1044800 736.6468 2098.4114 1927.4105 115.4064 -205970.7021 17990.5307 0.0000 0.0000 34134.7432 -148967.5530 298.1072 -183102.2962 -148874.7211 300.3129 85.4743 112.1483 558891.5196 11.2055 11.1713 PRESSURE: 1045000 -129.653 -106.896 -24.1265 -106.897 -135.899 -67.8545 -24.1265 -67.8532 -90.3209 GPRESSURE: 1045000 -95.1809 -66.5328 -57.9607 -74.9459 -96.1835 -5.54768 -18.6632 -74.8749 -59.6142 PRESSAVG: 1045000 47.4853 -41.6604 4.78045 -41.6603 13.8607 5.75404 4.78045 5.75398 -42.0663 GPRESSAVG: 1045000 46.4101 -41.6041 8.92864 -42.1961 15.1012 5.04596 3.35865 2.63604 -42.4262 TIMING: 1045000 CPU: 3113.9, 0.00300397/step Wall: 3113.9, 0.00300397/step, 3.30019 hours remaining, 207.480469 MB of memory in use. ENERGY: 1045000 724.4806 2098.4684 1912.3902 114.3189 -205645.7306 17550.9326 0.0000 0.0000 34296.3731 -148948.7669 299.5188 -183245.1399 -148851.0716 299.2064 -118.6243 -83.6595 558880.6502 6.4266 6.3617 PRESSURE: 1045200 86.6826 -56.4402 197.931 -56.4395 -8.41208 -96.0406 197.931 -96.0401 219.135 GPRESSURE: 1045200 107.634 -57.738 239.582 -62.5816 81.3569 -48.4202 185.124 -155.682 215.588 PRESSAVG: 1045200 -14.8249 -40.2348 -46.8737 -40.2347 30.8512 -9.34555 -46.8738 -9.34565 4.2583 GPRESSAVG: 1045200 -14.6815 -39.8873 -47.4399 -41.6688 31.3024 -10.1372 -46.0321 -8.26758 3.79049 TIMING: 1045200 CPU: 3114.5, 0.00298478/step Wall: 3114.5, 0.00298478/step, 3.27895 hours remaining, 207.480469 MB of memory in use. ENERGY: 1045200 742.0808 2052.2160 1925.7156 119.4115 -205830.9955 17801.1595 0.0000 0.0000 34277.8771 -148912.5350 299.3572 -183190.4121 -148817.9774 300.3206 99.1351 134.8596 556634.6014 6.7615 6.8038 PRESSURE: 1045400 -243.95 -86.2819 123.601 -86.2829 -336.137 -55.3194 123.602 -55.32 -233.223 GPRESSURE: 1045400 -218.222 -21.0415 126.307 -150.865 -264.346 -2.81468 109.251 -47.6109 -237.092 PRESSAVG: 1045400 19.6156 -33.7031 22.0929 -33.7032 26.948 4.96101 22.093 4.96098 -61.2116 GPRESSAVG: 1045400 20.0464 -33.9541 21.2423 -32.1115 26.8844 6.74103 21.8219 7.39253 -61.3225 TIMING: 1045400 CPU: 3115.1, 0.00299435/step Wall: 3115.1, 0.00299435/step, 3.28929 hours remaining, 207.480469 MB of memory in use. ENERGY: 1045400 762.1669 2119.4202 1952.9397 116.8954 -205465.7324 17177.5607 0.0000 0.0000 34240.0637 -149096.6858 299.0270 -183336.7495 -149003.7249 299.2674 -271.1035 -239.8867 557574.5941 -4.8827 -4.7972 PRESSURE: 1045600 -145.39 -111.251 -22.9715 -111.252 -66.6175 29.607 -22.971 29.6068 83.0522 GPRESSURE: 1045600 -130.807 0.618685 -2.18063 -253.129 -42.584 55.6317 44.933 36.709 134.06 PRESSAVG: 1045600 -67.9527 -24.4191 41.7877 -24.419 50.3335 -30.1769 41.7876 -30.1769 -1.18905 GPRESSAVG: 1045600 -68.0603 -26.8065 40.3745 -22.7993 49.5767 -30.6667 43.7695 -32.8748 -0.331227 TIMING: 1045600 CPU: 3115.69, 0.00297399/step Wall: 3115.69, 0.00297399/step, 3.26677 hours remaining, 207.480469 MB of memory in use. ENERGY: 1045600 748.5237 2161.3966 1949.0171 130.0929 -206035.8638 17494.6252 0.0000 0.0000 34382.8195 -149169.3888 300.2737 -183552.2083 -149076.4897 299.2730 -42.9851 -13.1102 556400.0048 -6.2694 -6.2716 PRESSURE: 1045800 37.1983 -3.88836 103.831 -3.8871 41.0612 66.7834 103.83 66.7832 90.89 GPRESSURE: 1045800 97.3641 -15.7824 99.6517 -10.9986 57.1408 93.1028 134.971 -25.2688 127.183 PRESSAVG: 1045800 19.6778 16.2281 43.7235 16.2281 22.2495 66.3572 43.7235 66.3573 0.431341 GPRESSAVG: 1045800 18.4828 17.954 43.4299 16.0343 22.5487 66.377 42.8335 68.5297 1.05048 TIMING: 1045800 CPU: 3116.29, 0.00298844/step Wall: 3116.29, 0.00298844/step, 3.28247 hours remaining, 207.480469 MB of memory in use. ENERGY: 1045800 784.6354 2069.7497 1913.2094 129.3937 -206382.7744 18083.9018 0.0000 0.0000 34358.6845 -149043.1999 300.0629 -183401.8844 -148945.8240 299.5400 56.3832 93.8961 556869.4177 14.1195 14.0273 PRESSURE: 1046000 -1.87618 0.0619258 63.6304 0.0616706 -196.628 80.0008 63.6309 80.0015 -134.524 GPRESSURE: 1046000 24.5211 54.7609 98.1753 -6.03417 -140.103 41.7684 -25.1471 27.4914 -110.336 PRESSAVG: 1046000 -35.1446 7.92827 34.6309 7.92836 -7.7301 12.3169 34.6308 12.3169 3.76035 GPRESSAVG: 1046000 -36.5533 6.2704 34.4141 5.5121 -6.96512 13.6604 35.6855 9.04149 4.58595 TIMING: 1046000 CPU: 3116.89, 0.00296662/step Wall: 3116.89, 0.00296662/step, 3.25834 hours remaining, 207.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1046000 724.2593 2115.7134 1922.0629 110.3710 -205941.8141 17562.8492 0.0000 0.0000 34371.2441 -149135.3143 300.1726 -183506.5583 -149042.7250 300.0313 -111.0094 -75.3063 556848.1497 -13.0381 -12.9775 PRESSURE: 1046200 204.092 42.4554 129.238 42.4555 -124.333 -52 129.238 -51.9996 -146.917 GPRESSURE: 1046200 232.503 82.1649 158.044 80.1217 -129.056 -93.5994 92.5906 -23.3224 -73.9142 PRESSAVG: 1046200 65.86 23.4044 30.6667 23.4043 2.58145 -40.5771 30.6667 -40.5771 -30.9961 GPRESSAVG: 1046200 67.2 26.5256 31.2533 23.0925 2.31386 -41.2675 29.2387 -39.5112 -32.067 TIMING: 1046200 CPU: 3117.48, 0.00295962/step Wall: 3117.48, 0.00295962/step, 3.25048 hours remaining, 207.480469 MB of memory in use. ENERGY: 1046200 746.6635 2104.3763 1909.3867 129.8151 -206291.4688 17848.8852 0.0000 0.0000 34501.3906 -149050.9513 301.3092 -183552.3419 -148959.2667 300.3797 -22.3861 9.8444 557546.3171 12.4818 12.4823 PRESSURE: 1046400 117.031 -77.8033 -12.707 -77.8039 -160.732 56.8262 -12.7071 56.8269 178.41 GPRESSURE: 1046400 178.656 -137.87 -20.8653 -36.6416 -162.088 14.5795 16.6943 146.282 218.332 PRESSAVG: 1046400 36.3478 30.917 21.1695 30.917 -23.5021 -3.1207 21.1696 -3.12073 -55.0549 GPRESSAVG: 1046400 36.6344 27.6358 19.8755 33.0789 -24.7043 -4.02624 23.9792 -2.10488 -53.9111 TIMING: 1046400 CPU: 3118.07, 0.00296201/step Wall: 3118.07, 0.00296201/step, 3.25294 hours remaining, 207.480469 MB of memory in use. ENERGY: 1046400 763.4711 2094.1081 1947.6231 101.3738 -206372.4048 18006.6090 0.0000 0.0000 34476.8042 -148982.4155 301.0945 -183459.2196 -148887.4206 300.4201 44.9030 78.3002 557309.3922 -14.0697 -13.9937 PRESSURE: 1046600 -76.0792 -106.605 -54.8372 -106.606 -125.687 -24.0717 -54.8374 -24.071 -154.884 GPRESSURE: 1046600 -77.3137 -78.661 -33.5678 -183.307 -61.7635 -80.2075 -38.9565 -36.0426 -116.656 PRESSAVG: 1046600 113.392 -44.4174 -1.91028 -44.4174 -25.0751 1.83907 -1.91021 1.8392 -58.4604 GPRESSAVG: 1046600 114.191 -42.367 -1.73857 -44.4759 -24.2844 3.23602 -4.31935 1.74205 -60.1661 TIMING: 1046600 CPU: 3118.67, 0.00298213/step Wall: 3118.67, 0.00298213/step, 3.27487 hours remaining, 207.480469 MB of memory in use. ENERGY: 1046600 772.7399 2109.8338 1932.3589 122.8194 -205930.6979 17786.4093 0.0000 0.0000 34322.2584 -148884.2782 299.7448 -183206.5367 -148780.6113 299.4269 -118.8833 -85.2443 558561.8409 9.9523 9.9136 PRESSURE: 1046800 -45.6542 -36.7905 43.0144 -36.7909 -88.6551 -39.2078 43.0138 -39.2083 -207.683 GPRESSURE: 1046800 -18.9407 -19.6003 68.0633 -99.0435 -89.0337 -54.2725 78.0126 -3.57292 -130.715 PRESSAVG: 1046800 -14.6809 22.3095 32.9171 22.3094 8.84308 29.8148 32.9171 29.8148 -0.856082 GPRESSAVG: 1046800 -14.868 20.2535 34.5601 23.8116 8.61819 26.4587 33.2516 31.9152 0.267557 TIMING: 1046800 CPU: 3119.26, 0.00295224/step Wall: 3119.26, 0.00295224/step, 3.24188 hours remaining, 207.480469 MB of memory in use. ENERGY: 1046800 775.6851 2086.0435 1951.8493 130.5725 -206003.8757 17728.7561 0.0000 0.0000 34484.6138 -148846.3554 301.1627 -183330.9692 -148755.1880 299.7670 -113.9974 -79.5631 557573.5434 -2.2313 -1.9941 PRESSURE: 1047000 16.3169 -32.9183 172.54 -32.9179 -121.471 49.6621 172.539 49.6628 -117.635 GPRESSURE: 1047000 23.3908 8.70574 216.397 -139.299 -44.8771 16.0452 105.037 101.676 -110.702 PRESSAVG: 1047000 -15.8854 22.886 -7.48268 22.886 52.1293 32.2745 -7.48272 32.2745 -20.1092 GPRESSAVG: 1047000 -16.1484 22.1494 -6.93144 20.4689 52.4779 33.0786 -8.87988 32.2631 -20.0501 TIMING: 1047000 CPU: 3119.85, 0.00295104/step Wall: 3119.85, 0.00295104/step, 3.2404 hours remaining, 207.480469 MB of memory in use. ENERGY: 1047000 747.4379 2047.0783 1906.4316 124.4942 -205678.0064 17697.5495 0.0000 0.0000 34328.5441 -148826.4708 299.7997 -183155.0149 -148732.7419 300.2085 -74.2629 -44.0627 559239.5813 5.3783 5.4265 PRESSURE: 1047200 -164.93 -120.51 -80.5645 -120.511 -127.775 -56.2797 -80.5652 -56.2786 -397.07 GPRESSURE: 1047200 -124.086 -138.571 -151.776 -40.0321 -122.758 -143.123 -34.0481 -31.7935 -335.461 PRESSAVG: 1047200 -18.2996 28.2535 0.24076 28.2535 -2.69071 11.5304 0.240627 11.5304 -59.5229 GPRESSAVG: 1047200 -17.7161 28.7803 -1.43633 29.6505 -3.51925 12.5566 0.409115 9.51104 -59.0845 TIMING: 1047200 CPU: 3120.43, 0.00293334/step Wall: 3120.43, 0.00293334/step, 3.22081 hours remaining, 207.480469 MB of memory in use. ENERGY: 1047200 753.3608 2045.1357 1927.2209 117.4133 -205692.4917 17459.2274 0.0000 0.0000 34584.1698 -148805.9638 302.0322 -183390.1336 -148700.1852 300.5742 -229.9249 -194.1019 559469.7587 -26.8378 -26.7733 PRESSURE: 1047400 -2.20891 113.753 135.779 113.752 56.5588 103.187 135.778 103.189 -17.9437 GPRESSURE: 1047400 10.7939 118.462 114.255 193.169 65.3456 82.0681 144.605 92.6825 44.0681 PRESSAVG: 1047400 11.04 -27.1793 -0.729348 -27.1793 45.3467 12.5446 -0.729276 12.5446 -35.5962 GPRESSAVG: 1047400 9.40388 -25.9741 0.139668 -28.8982 47.0921 12.4599 -2.51167 13.2196 -35.6999 TIMING: 1047400 CPU: 3121.03, 0.00295895/step Wall: 3121.03, 0.00295895/step, 3.24876 hours remaining, 207.480469 MB of memory in use. ENERGY: 1047400 721.2150 2116.5935 1943.7908 104.5254 -205979.4966 17799.8230 0.0000 0.0000 34331.5721 -148961.9768 299.8262 -183293.5488 -148870.2722 300.5064 12.1354 40.0692 560090.0669 6.9302 6.9320 PRESSURE: 1047600 -304.518 -13.1614 74.854 -13.1601 190.412 102.633 74.8542 102.632 -267.126 GPRESSURE: 1047600 -251.433 36.5609 -50.2362 -167.519 154.273 49.8083 75.52 201.258 -200.828 PRESSAVG: 1047600 -15.8719 48.8067 75.6133 48.8067 51.8343 -39.0222 75.6134 -39.0223 -12.3622 GPRESSAVG: 1047600 -14.8948 49.3576 74.8038 49.4973 52.1666 -38.6977 76.823 -39.096 -13.2027 TIMING: 1047600 CPU: 3121.62, 0.00296681/step Wall: 3121.62, 0.00296681/step, 3.25723 hours remaining, 207.480469 MB of memory in use. ENERGY: 1047600 756.7189 2087.9256 1929.4140 120.2764 -205689.2505 17517.1591 0.0000 0.0000 34528.0318 -148749.7248 301.5419 -183277.7566 -148655.4548 300.5181 -127.0774 -99.3292 558673.3255 7.8667 8.0230 PRESSURE: 1047800 -41.0297 -136.209 -41.5916 -136.209 -172.114 -151.064 -41.5934 -151.064 -103.345 GPRESSURE: 1047800 15.884 -63.3681 10.4515 -171.064 -150.154 -161.269 -152.806 -161.262 -84.5233 PRESSAVG: 1047800 -52.1161 55.4233 61.1925 55.4234 4.96049 -29.6421 61.1926 -29.642 75.3908 GPRESSAVG: 1047800 -51.8288 53.9594 61.0377 54.7145 3.76209 -31.3869 61.0195 -28.5125 76.4696 TIMING: 1047800 CPU: 3122.21, 0.00297682/step Wall: 3122.21, 0.00297682/step, 3.26805 hours remaining, 207.480469 MB of memory in use. ENERGY: 1047800 719.9443 2098.1844 1913.3343 114.5211 -205768.8237 17585.3930 0.0000 0.0000 34454.0629 -148883.3838 300.8959 -183337.4467 -148780.2127 300.8496 -105.4961 -72.9311 558154.3371 9.4117 9.4676 PRESSURE: 1048000 -32.3543 -53.9773 57.415 -53.9757 225.953 14.8011 57.4141 14.8002 -228.527 GPRESSURE: 1048000 16.1894 -62.8285 103.502 -85.2036 218.952 -122.69 40.7536 20.6956 -181.248 PRESSAVG: 1048000 7.73589 12.1373 34.8754 12.1373 13.1776 -43.6105 34.8754 -43.6105 3.43925 GPRESSAVG: 1048000 7.49729 13.8949 35.7722 13.0267 14.0028 -44.2936 34.6023 -43.0701 3.18676 TIMING: 1048000 CPU: 3122.81, 0.00296057/step Wall: 3122.81, 0.00296057/step, 3.25004 hours remaining, 207.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1048000 712.2730 2132.0881 1888.7461 119.6589 -205753.4905 17476.5121 0.0000 0.0000 34421.0500 -149003.1623 300.6076 -183424.2123 -148909.7475 300.9454 -11.6425 17.9646 556433.6705 8.1176 8.2289 PRESSURE: 1048200 122.193 -130.676 -32.6506 -130.676 -71.6711 237.539 -32.6515 237.54 12.5249 GPRESSURE: 1048200 146.034 -44.7269 -21.0164 -99.6729 -30.9344 179.371 -25.8654 225.044 41.4107 PRESSAVG: 1048200 9.98749 -51.1018 108.367 -51.102 -39.1131 4.61223 108.367 4.61227 27.8057 GPRESSAVG: 1048200 9.4044 -51.5551 105.278 -51.7268 -39.4781 5.78018 110.436 4.35446 28.9078 TIMING: 1048200 CPU: 3123.4, 0.00296988/step Wall: 3123.4, 0.00296988/step, 3.2601 hours remaining, 207.480469 MB of memory in use. ENERGY: 1048200 723.8041 2060.9712 1941.3739 110.2591 -206328.0627 17984.7855 0.0000 0.0000 34263.3851 -149243.4838 299.2307 -183506.8689 -149143.5008 299.6169 21.0155 52.1702 558248.7420 -0.4400 -0.3886 LDB: ============= START OF LOAD BALANCING ============== 3126.95 LDB: ============== END OF LOAD BALANCING =============== 3126.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3126.95 LDB: ============= START OF LOAD BALANCING ============== 3127.25 LDB: Largest compute 4773 load 0.026709 is 22.6% of average load 0.118249 LDB: Average compute 0.001719 is 1.5% of average load 0.118249 LDB: TIME 3127.25 LOAD: AVG 0.118249 MAX 0.205411 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.996 MB LDB: TIME 3127.25 LOAD: AVG 0.118249 MAX 0.205411 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.996 MB LDB: TIME 3127.25 LOAD: AVG 0.118249 MAX 0.205411 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.996 MB LDB: ============== END OF LOAD BALANCING =============== 3127.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3127.26 PRESSURE: 1048400 28.6031 8.37214 172.886 8.37282 -85.4008 73.8979 172.887 73.8977 -95.461 GPRESSURE: 1048400 90.7498 110.477 194.626 -45.1957 -67.9227 27.9708 88.9805 16.3026 -93.806 PRESSAVG: 1048400 -0.487675 -18.9496 -5.13887 -18.9496 13.0509 20.8574 -5.13887 20.8575 -32.9628 GPRESSAVG: 1048400 -1.30849 -17.2893 -2.48643 -18.9871 13.4288 22.6002 -6.54158 18.6098 -32.5773 TIMING: 1048400 CPU: 3124.01, 0.00302529/step Wall: 3124.01, 0.00302529/step, 3.32076 hours remaining, 207.539062 MB of memory in use. ENERGY: 1048400 700.4954 2081.0265 1935.6111 107.3889 -206016.6862 17719.2332 0.0000 0.0000 34262.1590 -149210.7720 299.2200 -183472.9310 -149111.4775 299.1814 -50.7529 -23.6596 558840.9806 -6.7998 -6.8190 PRESSURE: 1048600 -58.2909 147.842 149.534 147.842 16.0077 145.255 149.534 145.256 -252.137 GPRESSURE: 1048600 -18.2649 127.349 144.001 105.774 65.0499 152.583 114.943 167.705 -245.983 PRESSAVG: 1048600 63.9538 36.1144 27.6043 36.1144 6.02995 35.5493 27.6043 35.5494 -47.6018 GPRESSAVG: 1048600 65.6556 32.0134 25.8863 37.6629 5.63507 34.6652 26.747 36.1531 -48.4074 TIMING: 1048600 CPU: 3124.6, 0.00296681/step Wall: 3124.6, 0.00296681/step, 3.2564 hours remaining, 207.539062 MB of memory in use. ENERGY: 1048600 759.3848 2117.5152 1931.1736 110.2718 -205861.0359 17651.3925 0.0000 0.0000 34114.1758 -149177.1222 297.9276 -183291.2980 -149076.2617 299.2266 -98.1401 -66.3994 557939.6808 7.4607 7.6277 PRESSURE: 1048800 -119.998 -126.527 113.703 -126.527 -250.055 147.957 113.701 147.957 -54.6353 GPRESSURE: 1048800 -81.4685 -75.6483 132.463 -170.832 -272.113 122.632 70.9677 126.936 25.5861 PRESSAVG: 1048800 -15.5432 6.90672 -11.2678 6.90669 26.4444 -39.3677 -11.2678 -39.3678 -14.7927 GPRESSAVG: 1048800 -15.9339 8.74144 -7.7869 5.33391 27.3501 -38.9236 -10.7125 -39.137 -14.7059 TIMING: 1048800 CPU: 3125.19, 0.00295545/step Wall: 3125.19, 0.00295545/step, 3.24377 hours remaining, 207.539062 MB of memory in use. ENERGY: 1048800 751.7579 2131.7640 1928.6357 110.1626 -206015.6201 17565.9528 0.0000 0.0000 34204.6693 -149322.6779 298.7179 -183527.3472 -149228.2361 298.5413 -141.5626 -109.3317 558260.3436 -1.2972 -1.0966 PRESSURE: 1049000 137.076 -40.9256 79.9607 -40.9273 -146.504 90.5025 79.9608 90.5035 197.424 GPRESSURE: 1049000 70.1011 -77.9889 17.9853 -45.2416 -21.9003 3.69229 140.782 153.148 244.448 PRESSAVG: 1049000 -30.2121 -26.2371 18.2681 -26.237 -56.8772 1.78012 18.2682 1.78008 41.5765 GPRESSAVG: 1049000 -29.6832 -24.4818 18.0861 -26.4035 -56.8758 2.50762 17.557 1.83061 41.6237 TIMING: 1049000 CPU: 3125.78, 0.00294049/step Wall: 3125.78, 0.00294049/step, 3.22719 hours remaining, 207.539062 MB of memory in use. ENERGY: 1049000 760.5413 2130.0156 1923.7067 104.4775 -206525.5304 18130.1486 0.0000 0.0000 34260.3467 -149216.2940 299.2041 -183476.6407 -149124.5850 299.2316 62.6653 97.5496 559102.4594 -15.1710 -14.9784 PRESSURE: 1049200 -39.5785 -152.843 -136.885 -152.843 23.3604 -41.4478 -136.887 -41.4489 155.359 GPRESSURE: 1049200 12.0457 -195.958 -230.185 -148.906 83.2322 -130.7 -152.117 18.2769 142.387 PRESSAVG: 1049200 -20.6069 -35.0445 -36.3109 -35.0446 3.26013 13.3707 -36.3108 13.3707 52.207 GPRESSAVG: 1049200 -19.9268 -35.6269 -38.7754 -35.7197 2.38871 11.0222 -33.9613 16.7895 52.2475 TIMING: 1049200 CPU: 3126.37, 0.00295755/step Wall: 3126.37, 0.00295755/step, 3.24575 hours remaining, 207.539062 MB of memory in use. ENERGY: 1049200 720.5594 2066.2413 1936.0881 120.2087 -205938.7533 17762.9181 0.0000 0.0000 34179.3883 -149153.3493 298.4971 -183332.7376 -149057.4278 299.2404 46.3803 79.2216 558019.5327 11.6201 11.5698 PRESSURE: 1049400 13.9509 -18.3515 -8.44896 -18.348 -98.542 107.669 -8.4486 107.67 -162.523 GPRESSURE: 1049400 -25.1254 -114.629 -70.9395 20.5467 -45.8833 72.6519 -8.0425 40.5139 -84.4796 PRESSAVG: 1049400 8.73692 4.08981 -14.4995 4.08972 -68.5347 55.5099 -14.4995 55.5098 83.5486 GPRESSAVG: 1049400 7.91025 4.30689 -14.2696 5.56031 -67.1857 57.2416 -15.4934 52.2897 83.0916 TIMING: 1049400 CPU: 3126.96, 0.00296967/step Wall: 3126.96, 0.00296967/step, 3.25888 hours remaining, 207.539062 MB of memory in use. ENERGY: 1049400 734.5611 2126.6165 1914.4012 114.5740 -206235.1801 17700.1850 0.0000 0.0000 34385.8525 -149258.9898 300.3002 -183644.8423 -149158.6628 299.1623 -82.3715 -51.8294 558943.1657 7.9169 7.9387 PRESSURE: 1049600 248.965 79.2507 -97.9023 79.2508 -148.75 16.8847 -97.9023 16.8863 -266.325 GPRESSURE: 1049600 225.367 152.484 -10.0361 26.0625 -53.638 -9.36888 -132.03 56.7675 -238.294 PRESSAVG: 1049600 9.03652 -12.3832 -14.1923 -12.3831 -2.36062 30.9249 -14.1923 30.925 -55.347 GPRESSAVG: 1049600 8.9047 -13.6351 -14.6454 -13.1113 -3.03818 30.799 -14.5715 31.452 -54.1184 TIMING: 1049600 CPU: 3127.56, 0.00296762/step Wall: 3127.56, 0.00296762/step, 3.25647 hours remaining, 207.539062 MB of memory in use. ENERGY: 1049600 725.8926 2128.3784 1917.8252 116.3558 -205851.9187 17685.9568 0.0000 0.0000 34112.4840 -149165.0258 297.9128 -183277.5098 -149074.3824 299.3695 -55.3700 -22.1882 559112.8555 -16.2237 -16.0840 PRESSURE: 1049800 -10.7113 15.6648 -28.8897 15.6639 -53.8922 96.8856 -28.8896 96.8856 244.221 GPRESSURE: 1049800 77.0773 16.5229 1.60061 48.8202 -8.00403 73.2183 -50.702 82.4932 198.893 PRESSAVG: 1049800 -6.41398 -28.5415 -44.3081 -28.5415 36.5288 -19.0923 -44.3082 -19.0922 -31.3356 GPRESSAVG: 1049800 -6.16083 -29.8554 -43.6913 -27.0536 36.9849 -19.3125 -43.3082 -19.7359 -31.9923 TIMING: 1049800 CPU: 3128.15, 0.00295055/step Wall: 3128.15, 0.00295055/step, 3.23757 hours remaining, 207.539062 MB of memory in use. ENERGY: 1049800 735.7842 2149.0346 1897.1579 122.3191 -206178.2212 17803.9753 0.0000 0.0000 34139.7239 -149330.2262 298.1507 -183469.9501 -149236.7449 299.3589 59.8726 89.3220 555821.4595 -0.4069 -0.3894 PRESSURE: 1050000 -231.309 -58.3967 -38.7404 -58.3968 -172.398 95.614 -38.7406 95.6137 -240.318 GPRESSURE: 1050000 -200.846 -74.7456 -54.5343 4.68813 -168.835 82.3228 -31.8065 140.63 -175.077 PRESSAVG: 1050000 1.91647 -4.04227 -21.0244 -4.04233 2.56361 -5.30052 -21.0243 -5.30052 -5.79701 GPRESSAVG: 1050000 3.4912 -1.34448 -21.3916 -5.357 1.35211 -2.75918 -21.3551 -5.81044 -6.0794 TIMING: 1050000 CPU: 3128.74, 0.00293884/step Wall: 3128.74, 0.00293884/step, 3.22456 hours remaining, 207.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1050000 753.2765 2071.5147 1878.4418 114.7292 -205756.5968 17412.2380 0.0000 0.0000 34268.9601 -149257.4365 299.2794 -183526.3966 -149159.4369 299.2703 -214.6749 -181.5858 556951.8089 -0.4390 -0.4120 PRESSURE: 1050200 -348.428 -38.033 113.392 -38.0332 -4.68974 100.892 113.394 100.893 345.627 GPRESSURE: 1050200 -290.162 18.9468 179.803 -6.50042 6.99516 205.263 57.6909 94.3875 383.47 PRESSAVG: 1050200 -68.3357 13.681 17.1011 13.6812 -20.8862 24.0825 17.1011 24.0825 73.847 GPRESSAVG: 1050200 -69.848 14.6922 16.5499 13.2358 -19.4124 22.5133 15.7407 25.7183 73.5338 TIMING: 1050200 CPU: 3129.33, 0.00297474/step Wall: 3129.33, 0.00297474/step, 3.26379 hours remaining, 207.539062 MB of memory in use. ENERGY: 1050200 766.6135 2096.6713 1935.9471 113.9197 -206432.2183 17854.2593 0.0000 0.0000 34260.3643 -149404.4431 299.2043 -183664.8074 -149305.2490 298.9040 -2.4969 33.4344 555832.6395 -5.1250 -5.2422 PRESSURE: 1050400 -28.4415 126.941 -95.4887 126.943 -8.17757 167.624 -95.4896 167.624 -145.236 GPRESSURE: 1050400 5.86699 140.164 -38.6466 123.617 37.9529 151.589 -106.706 146.604 -144.736 PRESSAVG: 1050400 -28.0194 39.8951 33.1206 39.8951 -79.8639 6.74949 33.1206 6.74945 109.443 GPRESSAVG: 1050400 -27.385 38.6151 33.8977 41.1667 -81.1715 6.30918 33.4188 8.05164 109.987 TIMING: 1050400 CPU: 3129.92, 0.00295534/step Wall: 3129.92, 0.00295534/step, 3.24234 hours remaining, 207.539062 MB of memory in use. ENERGY: 1050400 781.8870 2084.5339 1945.7274 118.8467 -206229.1976 17842.1650 0.0000 0.0000 34272.5190 -149183.5186 299.3104 -183456.0376 -149087.9368 299.5910 -60.6185 -33.6386 558288.4671 0.5197 0.4767 PRESSURE: 1050600 178.441 -163.479 137.342 -163.479 -167.053 -18.9542 137.342 -18.9556 46.8289 GPRESSURE: 1050600 219.639 -105.534 101.127 -196.313 -131.257 -101.101 78.868 87.5913 75.6848 PRESSAVG: 1050600 22.3567 0.820247 51.4627 0.820197 -34.1676 33.8014 51.4627 33.8015 49.4464 GPRESSAVG: 1050600 22.9089 1.80411 51.384 -0.432148 -33.8866 33.6502 52.6064 33.1394 49.1921 TIMING: 1050600 CPU: 3130.52, 0.00297507/step Wall: 3130.52, 0.00297507/step, 3.26381 hours remaining, 207.539062 MB of memory in use. ENERGY: 1050600 719.0665 2103.3397 1927.4277 120.5381 -206490.1200 17779.4371 0.0000 0.0000 34545.5155 -149294.7954 301.6946 -183840.3109 -149191.5165 299.3739 19.4058 54.6892 557364.8691 12.5452 12.7382 PRESSURE: 1050800 -86.9459 96.2351 28.0902 96.2346 -222.715 -3.42522 28.0908 -3.42386 -176.37 GPRESSURE: 1050800 -53.6545 146.36 32.1061 35.4449 -204.792 42.689 49.4759 -10.0036 -132.587 PRESSAVG: 1050800 -77.2238 -53.3155 51.8215 -53.3155 18.675 3.43699 51.8215 3.43706 -3.14447 GPRESSAVG: 1050800 -76.7892 -54.8802 53.2246 -52.2331 18.9832 2.02648 52.0768 5.05623 -4.10175 TIMING: 1050800 CPU: 3131.11, 0.00298158/step Wall: 3131.11, 0.00298158/step, 3.2708 hours remaining, 207.539062 MB of memory in use. ENERGY: 1050800 757.4236 2136.0932 1921.0179 123.2607 -205861.2447 17463.2287 0.0000 0.0000 34416.1140 -149044.1066 300.5645 -183460.2206 -148952.4594 299.6948 -162.0103 -130.3446 556984.0956 -20.5644 -20.6359 PRESSURE: 1051000 -179.891 -281.775 -76.8179 -281.775 70.0145 -83.6965 -76.8186 -83.6966 -134.995 GPRESSURE: 1051000 -117.023 -326.297 -38.7282 -229.626 81.8764 -83.0914 -82.0081 -68.5995 -109.338 PRESSAVG: 1051000 34.1036 -15.9789 17.9657 -15.979 -15.3688 14.8307 17.9657 14.8306 -7.48996 GPRESSAVG: 1051000 34.2657 -17.1111 18.0001 -13.8231 -16.7488 17.793 15.8721 10.898 -6.0323 TIMING: 1051000 CPU: 3131.71, 0.00297651/step Wall: 3131.71, 0.00297651/step, 3.26506 hours remaining, 207.539062 MB of memory in use. ENERGY: 1051000 744.2043 2040.7122 1917.9700 119.5813 -205787.9078 17530.1723 0.0000 0.0000 34471.3112 -148963.9565 301.0465 -183435.2677 -148870.1561 299.6219 -81.6237 -48.1615 556559.1664 3.7483 3.8282 PRESSURE: 1051200 -41.0583 53.987 59.0176 53.988 42.7436 -26.4506 59.0184 -26.4505 -99.5408 GPRESSURE: 1051200 -3.14082 -59.9572 -22.827 101.337 74.7489 -119.779 66.9037 47.6704 -58.8735 PRESSAVG: 1051200 -29.337 -19.6827 -17.4662 -19.6827 38.6709 -9.87088 -17.4661 -9.87094 32.9412 GPRESSAVG: 1051200 -28.8928 -19.058 -18.016 -23.3554 38.9424 -10.2309 -17.352 -7.9551 31.2327 TIMING: 1051200 CPU: 3132.31, 0.00299102/step Wall: 3132.31, 0.00299102/step, 3.28081 hours remaining, 207.539062 MB of memory in use. ENERGY: 1051200 711.9818 2117.9620 1937.0744 122.5669 -205787.8143 17624.6548 0.0000 0.0000 34172.5421 -149101.0323 298.4373 -183273.5744 -149004.8317 299.8646 -32.6185 4.2449 558193.1773 14.0917 13.7607 PRESSURE: 1051400 180.57 51.0426 115.347 51.0428 131.306 93.4991 115.348 93.4978 -40.4868 GPRESSURE: 1051400 187.044 99.0408 69.7578 -10.4903 227.045 -11.5252 50.2931 94.2601 -41.3768 PRESSAVG: 1051400 -8.8554 16.6099 1.65902 16.6098 12.3954 3.54772 1.65896 3.54771 7.97566 GPRESSAVG: 1051400 -9.33516 16.8779 0.924459 17.7579 11.7307 3.28815 3.58505 0.760651 8.84405 TIMING: 1051400 CPU: 3132.9, 0.00294884/step Wall: 3132.9, 0.00294884/step, 3.23439 hours remaining, 207.539062 MB of memory in use. ENERGY: 1051400 766.3969 2074.4197 1928.7910 125.3994 -206102.7433 17868.7121 0.0000 0.0000 34198.6779 -149140.3463 298.6656 -183339.0242 -149044.9935 299.3460 90.4632 124.2376 556901.2590 3.8386 3.7465 PRESSURE: 1051600 173.176 -37.253 112.337 -37.2539 -92.4941 -107.001 112.335 -107.002 -89.8253 GPRESSURE: 1051600 227.134 -80.3477 100.508 20.8007 -48.9701 -37.8466 172.344 -150.99 -94.6174 PRESSAVG: 1051600 7.03218 -31.5769 32.5042 -31.5769 14.4338 1.64913 32.5041 1.64918 -8.93775 GPRESSAVG: 1051600 7.2483 -33.0427 33.1788 -29.1708 14.505 0.694407 30.1337 3.24146 -8.22324 TIMING: 1051600 CPU: 3133.49, 0.0029595/step Wall: 3133.49, 0.0029595/step, 3.24591 hours remaining, 207.539062 MB of memory in use. ENERGY: 1051600 762.9338 2108.1003 1942.1451 105.7126 -206570.5335 18027.7284 0.0000 0.0000 34533.8214 -149090.0920 301.5925 -183623.9134 -148995.7531 299.5857 -3.0477 27.8489 558683.1702 4.1761 4.5100 PRESSURE: 1051800 70.2301 -20.3146 -158.053 -20.3149 -105.678 -59.8203 -158.053 -59.8177 79.0017 GPRESSURE: 1051800 92.5539 -65.1476 -274.519 20.15 -49.821 -41.7511 -75.5183 -50.9384 107.526 PRESSAVG: 1051800 -35.7234 -0.826955 -7.73906 -0.826942 -8.97385 -23.6595 -7.73912 -23.6596 -20.134 GPRESSAVG: 1051800 -36.1327 0.725124 -7.13782 -3.37997 -8.45806 -22.4786 -6.54641 -25.2559 -20.8037 TIMING: 1051800 CPU: 3134.08, 0.00297875/step Wall: 3134.08, 0.00297875/step, 3.26686 hours remaining, 207.539062 MB of memory in use. ENERGY: 1051800 771.6904 2074.6266 1913.7573 117.3503 -206022.3428 17835.4795 0.0000 0.0000 34245.4859 -149063.9528 299.0743 -183309.4387 -148965.7878 300.1973 14.5179 50.0862 557501.3240 -21.6104 -21.7982 PRESSURE: 1052000 62.4226 -145.515 -189.763 -145.515 117.105 26.7469 -189.763 26.7471 -58.2128 GPRESSURE: 1052000 70.23 -208.742 -84.7705 -52.611 139.591 34.2747 -223.983 45.5066 2.86522 PRESSAVG: 1052000 -11.7676 -1.07082 12.6664 -1.07083 0.845622 -24.616 12.6663 -24.6161 18.8086 GPRESSAVG: 1052000 -11.5555 -1.0592 12.3609 -0.561627 0.405838 -27.4924 11.1808 -20.084 18.6817 TIMING: 1052000 CPU: 3134.68, 0.00296591/step Wall: 3134.68, 0.00296591/step, 3.25261 hours remaining, 207.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1052000 752.2573 2134.2769 1926.2330 109.5836 -206406.8183 17929.4303 0.0000 0.0000 34430.5527 -149124.4845 300.6906 -183555.0372 -149032.5109 299.5640 40.4382 70.8954 558181.6010 2.6289 2.5107 PRESSURE: 1052200 341.491 -1.73129 52.5451 -1.73066 214.845 6.3416 52.5459 6.34125 -284.497 GPRESSURE: 1052200 389.391 -59.83 30.0483 45.8675 230.508 -14.1246 88.4437 -28.3585 -248.178 PRESSAVG: 1052200 26.2952 -2.42856 47.0034 -2.42853 21.4259 50.0336 47.0033 50.0337 16.1495 GPRESSAVG: 1052200 25.7678 -1.91756 45.0631 -2.55953 21.2476 53.044 48.0969 45.4092 17.0711 TIMING: 1052200 CPU: 3135.27, 0.00296451/step Wall: 3135.27, 0.00296451/step, 3.25091 hours remaining, 207.539062 MB of memory in use. ENERGY: 1052200 757.7833 2108.0774 1906.1855 109.6001 -206504.8490 18087.7483 0.0000 0.0000 34429.8843 -149105.5701 300.6847 -183535.4544 -149011.2613 299.9740 90.6130 123.9069 557987.1215 21.2902 21.3622 LDB: ============= START OF LOAD BALANCING ============== 3138.81 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3138.81 LDB: =============== DONE WITH MIGRATION ================ 3138.82 LDB: ============= START OF LOAD BALANCING ============== 3139.12 LDB: Largest compute 4773 load 0.026173 is 22.1% of average load 0.118170 LDB: Average compute 0.001720 is 1.5% of average load 0.118170 LDB: TIME 3139.12 LOAD: AVG 0.11817 MAX 0.205605 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 3139.12 LOAD: AVG 0.11817 MAX 0.205605 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: TIME 3139.12 LOAD: AVG 0.11817 MAX 0.205605 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: ============== END OF LOAD BALANCING =============== 3139.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3139.12 PRESSURE: 1052400 -172.935 55.6985 23.8384 55.6993 -191.209 26.8344 23.839 26.8341 -150.577 GPRESSURE: 1052400 -162.262 -5.2043 75.2935 49.4201 -166.979 34.6931 54.1828 45.7275 -97.9168 PRESSAVG: 1052400 71.5751 46.033 47.1727 46.0331 -1.67261 6.4645 47.1726 6.4646 -51.9785 GPRESSAVG: 1052400 72.4954 45.6641 50.6253 46.5942 -1.12232 5.73787 46.9034 9.50027 -53.6846 TIMING: 1052400 CPU: 3135.87, 0.00302449/step Wall: 3135.87, 0.00302449/step, 3.31652 hours remaining, 207.480469 MB of memory in use. ENERGY: 1052400 742.9927 2066.8486 1936.2022 111.7402 -206138.9464 17618.0575 0.0000 0.0000 34302.5959 -149360.5094 299.5731 -183663.1053 -149260.9308 299.1436 -171.5736 -142.3860 558117.5244 5.9747 5.8962 PRESSURE: 1052600 -323.054 75.0661 -58.3239 75.0659 -34.0098 70.2733 -58.325 70.2744 -250.579 GPRESSURE: 1052600 -267.72 -8.10451 -30.1556 149.825 19.2082 82.5681 -42.9032 69.3744 -264.917 PRESSAVG: 1052600 51.9227 12.1663 12.0197 12.1663 15.3964 23.1758 12.0198 23.1758 -82.0237 GPRESSAVG: 1052600 51.4716 13.4662 8.70155 11.6764 16.0266 22.8876 12.59 22.9389 -82.1676 TIMING: 1052600 CPU: 3136.47, 0.00298121/step Wall: 3136.47, 0.00298121/step, 3.2689 hours remaining, 207.480469 MB of memory in use. ENERGY: 1052600 762.4663 2071.8376 1915.5157 109.3242 -205898.3444 17617.2902 0.0000 0.0000 34133.0639 -149288.8464 298.0925 -183421.9104 -149183.2819 298.9027 -202.5477 -171.1429 558156.6663 -4.9015 -4.8898 PRESSURE: 1052800 58.7481 75.1531 195.124 75.1533 -183.664 -143.206 195.123 -143.207 -91.8396 GPRESSURE: 1052800 123.58 139.738 183.518 11.3293 -132.957 -155.057 170.669 -102.473 -105.334 PRESSAVG: 1052800 0.619076 4.31866 9.54445 4.3186 -9.13139 -25.8173 9.54441 -25.8175 2.24945 GPRESSAVG: 1052800 0.157003 4.72553 10.2867 3.97507 -9.06956 -25.3634 10.0856 -26.573 3.11817 TIMING: 1052800 CPU: 3137.06, 0.00295306/step Wall: 3137.06, 0.00295306/step, 3.23787 hours remaining, 207.480469 MB of memory in use. ENERGY: 1052800 795.6786 2072.6488 1934.0890 119.4914 -206142.7115 17806.6962 0.0000 0.0000 34078.0437 -149336.0637 297.6120 -183414.1074 -149242.3030 299.2015 -72.2519 -38.2373 557920.0611 -2.0876 -1.9315 PRESSURE: 1053000 15.0335 48.8418 -135.24 48.8408 -169.467 109.81 -135.24 109.81 -339.833 GPRESSURE: 1053000 -19.9761 13.2492 -77.8935 96.6135 -128.296 151.963 -67.1951 132.373 -244.75 PRESSAVG: 1053000 -4.11585 -12.5979 3.31051 -12.5979 9.474 -28.6264 3.31043 -28.6265 21.9849 GPRESSAVG: 1053000 -3.55239 -12.9798 3.76637 -11.2393 7.88059 -26.5135 2.41059 -27.7986 21.8054 TIMING: 1053000 CPU: 3137.65, 0.00295/step Wall: 3137.65, 0.00295/step, 3.23435 hours remaining, 207.480469 MB of memory in use. ENERGY: 1053000 708.7010 2115.9899 1942.1450 126.6610 -206220.9257 17599.5965 0.0000 0.0000 34318.9617 -149408.8706 299.7160 -183727.8323 -149313.8595 298.6933 -164.7552 -131.0074 558594.0662 9.1144 8.7112 PRESSURE: 1053200 -224.989 -172.834 140.946 -172.833 185.716 148.861 140.946 148.862 -41.0944 GPRESSURE: 1053200 -183.472 -81.9266 109.176 -202.135 225.349 118.962 105.622 205.731 -22.3219 PRESSAVG: 1053200 -48.4925 22.9797 -46.3575 22.9798 50.1218 -56.802 -46.3575 -56.802 -38.3495 GPRESSAVG: 1053200 -48.3448 22.6105 -45.9598 21.2647 50.1972 -57.9237 -43.5045 -56.4113 -39.2394 TIMING: 1053200 CPU: 3138.24, 0.00295884/step Wall: 3138.24, 0.00295884/step, 3.24387 hours remaining, 207.480469 MB of memory in use. ENERGY: 1053200 750.6088 2102.3790 1915.2195 111.5254 -206312.3250 17801.8176 0.0000 0.0000 34285.5817 -149345.1929 299.4245 -183630.7746 -149246.0772 298.7663 -26.7891 6.5183 556081.4098 -12.2401 -12.4623 PRESSURE: 1053400 169.584 -77.1709 47.6021 -77.1692 -39.9857 4.13829 47.6025 4.13743 -253.413 GPRESSURE: 1053400 199.856 -116.021 24.8643 7.06447 6.55422 -19.6296 80.9289 -44.7763 -234.241 PRESSAVG: 1053400 66.9434 -48.8551 -16.2126 -48.8551 7.59611 -3.14975 -16.2127 -3.14978 -32.7662 GPRESSAVG: 1053400 66.7352 -50.1539 -15.6672 -47.5758 7.60734 -3.76675 -16.7873 -4.45425 -33.0112 TIMING: 1053400 CPU: 3138.84, 0.00297303/step Wall: 3138.84, 0.00297303/step, 3.25927 hours remaining, 207.480469 MB of memory in use. ENERGY: 1053400 773.5672 2035.9251 1907.9001 113.8055 -206471.7894 17821.8054 0.0000 0.0000 34570.0057 -149248.7803 301.9085 -183818.7860 -149145.1514 300.1383 -41.2716 -9.2769 555872.5371 13.9244 13.7771 PRESSURE: 1053600 -16.5595 91.7856 80.6295 91.7859 18.9887 -63.5547 80.6305 -63.5561 -2.27649 GPRESSURE: 1053600 6.55637 86.4406 -42.1807 48.9432 81.6659 -36.6727 62.1038 -121.581 5.81431 PRESSAVG: 1053600 74.847 -21.2156 -37.3104 -21.2155 -0.599487 -26.3889 -37.3103 -26.3889 -93.1723 GPRESSAVG: 1053600 74.4164 -20.1542 -38.6459 -21.1818 -1.45459 -23.779 -35.5515 -26.5394 -91.9926 TIMING: 1053600 CPU: 3139.42, 0.00293696/step Wall: 3139.42, 0.00293696/step, 3.21956 hours remaining, 207.480469 MB of memory in use. ENERGY: 1053600 766.2827 2003.9448 1929.6150 102.7366 -206203.2012 17743.0590 0.0000 0.0000 34108.9501 -149548.6130 297.8819 -183657.5631 -149447.9753 298.4536 0.0509 31.3455 556894.2148 -6.3082 -6.3436 PRESSURE: 1053800 81.6393 42.0034 -247.305 42.0015 -172.658 -2.65912 -247.305 -2.66013 97.5676 GPRESSURE: 1053800 110.797 55.0864 -162.873 132.494 -116.479 -20.3098 -272.147 -17.6879 114.894 PRESSAVG: 1053800 18.3859 -17.2537 -4.10776 -17.2537 -22.2498 -16.6212 -4.1077 -16.6213 -13.4413 GPRESSAVG: 1053800 17.6575 -17.4058 -2.45491 -18.7127 -21.0355 -18.4939 -7.74391 -15.947 -14.6421 TIMING: 1053800 CPU: 3140.02, 0.002956/step Wall: 3140.02, 0.002956/step, 3.24027 hours remaining, 207.539062 MB of memory in use. ENERGY: 1053800 751.6962 2113.6575 1938.3306 106.5183 -206450.3767 17942.2553 0.0000 0.0000 34069.5935 -149528.3252 297.5382 -183597.9188 -149431.1467 298.1314 2.1831 36.4040 557230.5619 -5.7684 -6.0067 PRESSURE: 1054000 -179.078 -90.8035 62.7537 -90.8021 -41.1812 6.94674 62.7548 6.94666 -28.2268 GPRESSURE: 1054000 -163.932 -137.849 30.939 -86.7383 -9.98932 -97.2957 56.0526 -34.4181 33.7409 PRESSAVG: 1054000 71.1331 23.2455 0.501789 23.2456 5.29713 24.9602 0.501945 24.9603 -67.5851 GPRESSAVG: 1054000 71.8137 22.8817 -0.754066 24.7317 4.24397 24.1144 1.24043 24.7218 -67.5251 TIMING: 1054000 CPU: 3140.61, 0.00296123/step Wall: 3140.61, 0.00296123/step, 3.24583 hours remaining, 207.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1054000 748.0622 1991.2085 1916.5558 104.7366 -206238.8853 17808.9223 0.0000 0.0000 34095.7950 -149573.6049 297.7671 -183669.3999 -149473.1644 298.5742 -82.8286 -46.7267 558363.3339 2.9484 2.8442 PRESSURE: 1054200 174.445 -71.2823 -29.9094 -71.2829 -62.0289 89.027 -29.9099 89.0278 -17.4448 GPRESSURE: 1054200 189.368 -171.528 46.6846 7.57725 -80.5375 65.9794 -20.5238 174.29 87.0922 PRESSAVG: 1054200 39.1228 -8.2169 -14.371 -8.21693 -36.6179 0.503192 -14.371 0.50317 10.4105 GPRESSAVG: 1054200 37.7749 -8.57872 -13.6157 -6.74325 -36.6743 -0.174214 -14.2076 1.9425 11.2968 TIMING: 1054200 CPU: 3141.21, 0.00298334/step Wall: 3141.21, 0.00298334/step, 3.26991 hours remaining, 207.539062 MB of memory in use. ENERGY: 1054200 755.5235 2080.3636 1954.1134 107.9851 -206509.9542 17861.1500 0.0000 0.0000 34220.0853 -149530.7332 298.8525 -183750.8184 -149429.8773 298.0604 31.6571 65.3076 557675.0537 4.3051 4.1325 PRESSURE: 1054400 -87.5932 125.793 -34.861 125.793 123.342 -52.4727 -34.8613 -52.4718 -43.5108 GPRESSURE: 1054400 -4.52144 156.395 13.2129 58.1546 168.131 -15.6103 42.9976 -10.5273 -70.5847 PRESSAVG: 1054400 68.3062 -33.5015 -0.251903 -33.5015 -30.9514 20.7226 -0.25198 20.7226 -33.2685 GPRESSAVG: 1054400 68.2455 -32.3997 -1.81585 -35.7088 -30.0717 20.8611 -0.637249 19.7044 -34.53 TIMING: 1054400 CPU: 3141.8, 0.00297044/step Wall: 3141.8, 0.00297044/step, 3.2556 hours remaining, 207.539062 MB of memory in use. ENERGY: 1054400 748.8919 2051.1041 1924.4096 104.0146 -206309.6350 17890.3811 0.0000 0.0000 34134.8526 -149455.9812 298.1082 -183590.8338 -149360.2023 298.2129 -2.5872 31.0082 557186.2410 1.3621 1.2146 PRESSURE: 1054600 148.168 60.5839 47.5994 60.5835 110.429 -204.526 47.6001 -204.524 -99.8126 GPRESSURE: 1054600 196.218 28.0887 133.349 121.983 90.6641 -182.019 30.9931 -67.7083 -39.2834 PRESSAVG: 1054600 -18.4082 13.9123 7.48749 13.9122 3.25859 25.5567 7.4875 25.5567 14.2892 GPRESSAVG: 1054600 -18.155 14.7029 8.23235 14.5011 1.98269 26.5919 7.74534 27.3154 15.1523 TIMING: 1054600 CPU: 3142.39, 0.00297034/step Wall: 3142.39, 0.00297034/step, 3.25533 hours remaining, 207.539062 MB of memory in use. ENERGY: 1054600 720.4722 2046.0661 1930.1625 113.2972 -206236.4157 17758.1361 0.0000 0.0000 34238.5578 -149429.7239 299.0138 -183668.2817 -149327.6855 298.3513 52.9281 82.5328 556880.3709 -0.2868 -0.3400 PRESSURE: 1054800 150.388 18.2167 74.7627 18.2166 -262.094 103.978 74.7634 103.977 145.753 GPRESSURE: 1054800 195.716 -20.7334 43.9879 44.0134 -200.748 83.4447 -21.9343 98.5109 130.426 PRESSAVG: 1054800 19.1013 2.27397 28.5144 2.27404 -85.2356 18.1537 28.5144 18.1537 66.3271 GPRESSAVG: 1054800 18.6591 0.332269 28.4965 4.01351 -84.2945 17.3088 27.3484 18.1986 66.5738 TIMING: 1054800 CPU: 3142.99, 0.00297631/step Wall: 3142.99, 0.00297631/step, 3.2617 hours remaining, 207.539062 MB of memory in use. ENERGY: 1054800 739.7649 2111.7090 1905.4784 113.6892 -206090.8077 17734.9297 0.0000 0.0000 34260.1945 -149225.0420 299.2028 -183485.2365 -149127.5384 298.7530 11.3487 41.7982 557621.2025 0.0643 0.3128 PRESSURE: 1055000 57.3215 37.8925 -134.654 37.8927 -71.763 -119.991 -134.653 -119.991 -9.909 GPRESSURE: 1055000 82.014 133.639 -156.758 19.7877 -0.542585 -99.623 -228.793 -78.933 -10.1193 PRESSAVG: 1055000 -23.3861 40.716 11.2899 40.7161 -10.1527 16.865 11.2899 16.8649 33.5417 GPRESSAVG: 1055000 -22.7853 41.1258 12.2265 40.2038 -10.0561 18.803 11.438 12.9896 32.7417 TIMING: 1055000 CPU: 3143.59, 0.00299019/step Wall: 3143.59, 0.00299019/step, 3.27675 hours remaining, 207.539062 MB of memory in use. ENERGY: 1055000 769.8526 2100.8391 1934.5880 112.7549 -206746.8213 18054.9295 0.0000 0.0000 34510.9706 -149262.8866 301.3929 -183773.8572 -149164.2086 299.2217 -8.1169 23.7841 556613.3318 0.0010 -0.0332 PRESSURE: 1055200 -37.2282 184.028 -1.07547 184.028 -98.6842 -14.8155 -1.07608 -14.8145 -263.027 GPRESSURE: 1055200 -22.2252 113.672 146.177 252.104 -101.031 30.6219 -52.2245 -109.853 -190.079 PRESSAVG: 1055200 52.6618 -25.5999 -6.36465 -25.5999 1.8076 21.5164 -6.36474 21.5165 6.10032 GPRESSAVG: 1055200 51.7453 -24.7698 -9.1224 -26.8212 1.98574 21.0138 -4.38176 22.9187 7.17987 TIMING: 1055200 CPU: 3144.19, 0.00299416/step Wall: 3144.19, 0.00299416/step, 3.28093 hours remaining, 207.539062 MB of memory in use. ENERGY: 1055200 735.0856 2111.1589 1921.2683 101.4853 -205854.7768 17596.4270 0.0000 0.0000 34301.2151 -149088.1365 299.5610 -183389.3517 -148987.9577 300.1833 -132.9797 -104.4450 558301.9037 20.1899 20.3036 PRESSURE: 1055400 -69.3191 74.4679 -93.6837 74.4694 14.6495 66.4149 -93.6843 66.4151 210.268 GPRESSURE: 1055400 1.34358 71.9747 -53.9703 94.296 65.1686 31.9773 -107.045 -9.12213 195.677 PRESSAVG: 1055400 -3.60177 -3.29907 50.2573 -3.29906 -8.66499 15.7667 50.2573 15.7667 18.5633 GPRESSAVG: 1055400 -3.58618 -3.82938 50.6064 -2.39594 -8.68048 15.0882 49.5793 17.3621 18.9876 TIMING: 1055400 CPU: 3144.78, 0.002996/step Wall: 3144.78, 0.002996/step, 3.28278 hours remaining, 207.539062 MB of memory in use. ENERGY: 1055400 731.7444 2098.3653 1920.9917 114.5668 -206235.3699 17999.2379 0.0000 0.0000 34314.0991 -149056.3648 299.6736 -183370.4639 -148965.9387 300.0081 51.8663 87.3965 557491.8778 2.0989 2.2403 PRESSURE: 1055600 -285.331 -98.7496 182.526 -98.7497 -165.961 124.648 182.526 124.646 -96.5477 GPRESSURE: 1055600 -165.241 -105.783 195.101 -39.6328 -231.964 113.551 228.296 139.437 -52.488 PRESSAVG: 1055600 -0.64364 -6.31159 1.49926 -6.31159 18.1109 -13.9601 1.49926 -13.96 -42.2725 GPRESSAVG: 1055600 0.0796163 -6.69728 -0.29466 -4.25411 16.4534 -13.5917 0.985566 -15.98 -40.7919 TIMING: 1055600 CPU: 3145.38, 0.0029863/step Wall: 3145.38, 0.0029863/step, 3.27199 hours remaining, 207.539062 MB of memory in use. ENERGY: 1055600 755.0556 2084.2489 1919.4377 106.8173 -205798.1887 17388.3632 0.0000 0.0000 34401.7226 -149142.5434 300.4388 -183544.2660 -149043.8238 300.5141 -182.6132 -149.8976 558447.6372 -8.2684 -8.0863 PRESSURE: 1055800 48.4439 127.501 -132.318 127.499 262.82 8.70948 -132.318 8.71051 -82.1745 GPRESSURE: 1055800 112.561 152.043 -102.366 81.7814 266.328 -63.3027 -212.19 70.8697 -48.0007 PRESSAVG: 1055800 -43.9545 5.62749 -63.7859 5.62744 40.1484 -1.59741 -63.7859 -1.59727 -4.40331 GPRESSAVG: 1055800 -42.5418 4.96422 -59.5836 3.86635 40.4512 -0.796759 -66.9057 -0.583809 -5.61424 TIMING: 1055800 CPU: 3145.98, 0.00299517/step Wall: 3145.98, 0.00299517/step, 3.28154 hours remaining, 207.539062 MB of memory in use. ENERGY: 1055800 758.6464 2113.6091 1922.7271 112.2057 -206244.8360 18082.7032 0.0000 0.0000 34338.1921 -148916.7524 299.8840 -183254.9446 -148816.6905 300.3423 76.3632 110.2960 558695.0229 -2.7365 -2.5683 PRESSURE: 1056000 -152.59 -166.67 -290.592 -166.67 91.9806 98.8059 -290.592 98.8056 -206.982 GPRESSURE: 1056000 -150.799 -127.928 -314.674 -132.999 170.034 196.867 -337.601 90.2147 -187.837 PRESSAVG: 1056000 -2.68949 -28.2203 -63.7959 -28.2204 31.4662 -43.2512 -63.7959 -43.2512 -26.0248 GPRESSAVG: 1056000 -4.43475 -26.4859 -63.7122 -27.5681 32.9955 -42.9468 -61.7052 -42.8407 -25.5776 TIMING: 1056000 CPU: 3146.58, 0.00300114/step Wall: 3146.58, 0.00300114/step, 3.28791 hours remaining, 207.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1056000 737.2766 2095.7145 1951.2700 113.5452 -205878.7571 17705.0877 0.0000 0.0000 34418.4512 -148857.4120 300.5849 -183275.8632 -148757.6151 300.1161 -89.1972 -56.2008 559616.2351 0.9173 0.9944 PRESSURE: 1056200 -26.5246 80.4098 244.359 80.41 -43.7064 32.716 244.36 32.7146 -52.4843 GPRESSURE: 1056200 -8.70189 74.7568 206.035 58.8447 -35.9766 85.4814 188.053 1.27852 26.4456 PRESSAVG: 1056200 81.7836 -30.6011 -6.54805 -30.6011 4.23369 31.3904 -6.54807 31.3904 -87.0372 GPRESSAVG: 1056200 82.028 -31.514 -7.84541 -31.8616 3.58394 30.6391 -6.40847 32.4831 -86.8333 TIMING: 1056200 CPU: 3147.19, 0.0030201/step Wall: 3147.19, 0.0030201/step, 3.30852 hours remaining, 207.539062 MB of memory in use. ENERGY: 1056200 719.8292 2172.4821 1914.6456 105.1904 -206232.5834 17752.5815 0.0000 0.0000 34369.2475 -149198.6071 300.1552 -183567.8546 -149092.7284 300.7101 -40.9051 -6.0776 558172.4647 -0.3400 -0.4071 LDB: ============= START OF LOAD BALANCING ============== 3150.74 LDB: ============== END OF LOAD BALANCING =============== 3150.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3150.74 LDB: ============= START OF LOAD BALANCING ============== 3151.04 LDB: Largest compute 4773 load 0.026377 is 22.3% of average load 0.118163 LDB: Average compute 0.001724 is 1.5% of average load 0.118163 LDB: TIME 3151.04 LOAD: AVG 0.118163 MAX 0.207827 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 3151.04 LOAD: AVG 0.118163 MAX 0.207827 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: TIME 3151.04 LOAD: AVG 0.118163 MAX 0.207827 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3151.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3151.05 PRESSURE: 1056400 -307.039 -43.124 -182.74 -43.1244 97.7928 -29.8168 -182.738 -29.8176 -52.9326 GPRESSURE: 1056400 -289.864 -61.6422 -176.075 -90.163 124.929 -34.7967 -170.649 9.12356 -3.83596 PRESSAVG: 1056400 -24.3554 -26.4166 9.84763 -26.4165 5.80446 -2.54715 9.84756 -2.54715 -3.75934 GPRESSAVG: 1056400 -23.765 -26.6779 10.696 -26.2568 5.53615 -2.83345 10.1147 -2.12426 -4.09308 TIMING: 1056400 CPU: 3147.8, 0.00306019/step Wall: 3147.8, 0.00306019/step, 3.35226 hours remaining, 208.761719 MB of memory in use. ENERGY: 1056400 736.2588 2110.9569 1924.2878 120.5543 -206251.8166 17772.9456 0.0000 0.0000 34294.5134 -149292.2999 299.5025 -183586.8132 -149196.4394 299.8781 -87.3931 -56.2570 557956.6577 -7.4368 -7.4407 PRESSURE: 1056600 -114.509 47.3564 14.8507 47.3552 47.2343 -6.04225 14.8505 -6.04203 -226.035 GPRESSURE: 1056600 -122.34 95.8282 12.2955 35.7628 92.7399 -12.2612 -14.2328 22.5778 -166.628 PRESSAVG: 1056600 45.0336 5.03247 8.06822 5.03244 11.0647 8.61914 8.06817 8.6191 2.96167 GPRESSAVG: 1056600 45.1376 3.77708 5.55287 5.54552 11.6898 8.61058 7.08077 7.05258 2.40758 TIMING: 1056600 CPU: 3148.39, 0.00298866/step Wall: 3148.39, 0.00298866/step, 3.27375 hours remaining, 208.964844 MB of memory in use. ENERGY: 1056600 767.4732 2069.5616 1935.4858 105.1145 -206211.4384 17785.8366 0.0000 0.0000 34229.5561 -149318.4106 298.9352 -183547.9667 -149219.6035 299.7934 -97.7701 -65.4095 557960.9792 19.6866 19.7450 PRESSURE: 1056800 182.032 -40.8528 93.2948 -40.8516 123.457 39.8013 93.2939 39.8012 57.5604 GPRESSURE: 1056800 222.113 -92.3244 69.867 -16.8414 153.663 53.8657 107.352 52.4728 82.6301 PRESSAVG: 1056800 63.5896 12.8464 12.6101 12.8462 -30.4902 36.2444 12.6102 36.2443 -14.2848 GPRESSAVG: 1056800 62.2342 12.7106 13.4786 12.8928 -31.2382 36.7872 14.3555 37.257 -12.1849 TIMING: 1056800 CPU: 3148.99, 0.0029632/step Wall: 3148.99, 0.0029632/step, 3.24569 hours remaining, 208.964844 MB of memory in use. ENERGY: 1056800 742.7418 2120.0540 1923.5214 108.5035 -206378.6737 17835.0686 0.0000 0.0000 34156.9752 -149491.8091 298.3014 -183648.7843 -149400.7477 298.8781 121.0164 152.8020 555971.9364 6.2715 6.2704 PRESSURE: 1057000 39.9741 -107.438 -46.905 -107.437 45.6261 -120.948 -46.905 -120.948 -16.1312 GPRESSURE: 1057000 63.4507 -55.3448 -57.4971 -116.574 93.1889 -173.641 -33.7346 -60.2418 9.50812 PRESSAVG: 1057000 4.31487 -33.3822 -1.06903 -33.3822 12.4156 8.05308 -1.06903 8.05304 -20.1544 GPRESSAVG: 1057000 5.09495 -31.7986 -1.80365 -33.9065 13.7136 7.01671 -1.33304 8.08127 -22.4357 TIMING: 1057000 CPU: 3149.59, 0.0030111/step Wall: 3149.59, 0.0030111/step, 3.29799 hours remaining, 208.964844 MB of memory in use. ENERGY: 1057000 729.9861 2098.7907 1907.2066 127.3357 -206553.0490 17796.3031 0.0000 0.0000 34310.7708 -149582.6559 299.6445 -183893.4267 -149481.5753 298.7596 23.1563 55.3826 557048.9500 -1.1413 -1.2091 PRESSURE: 1057200 -108.797 3.74457 -218.884 3.74482 -135.401 51.0624 -218.884 51.0618 -223.665 GPRESSURE: 1057200 -70.867 -12.3351 -119.94 -10.79 -90.8595 -23.3365 -277.318 64.0657 -217.27 PRESSAVG: 1057200 -13.7688 -30.3477 -0.662635 -30.3478 24.2076 -2.53637 -0.662645 -2.53628 -21.0963 GPRESSAVG: 1057200 -13.5184 -32.0798 0.224525 -29.1158 23.7662 -1.83984 -1.29923 -3.59425 -20.9219 TIMING: 1057200 CPU: 3150.19, 0.00299452/step Wall: 3150.19, 0.00299452/step, 3.27967 hours remaining, 208.964844 MB of memory in use. ENERGY: 1057200 781.7055 2070.2753 1938.6924 114.6720 -206132.9426 17733.5984 0.0000 0.0000 34070.0949 -149423.9040 297.5426 -183493.9989 -149334.7762 298.7811 -155.9544 -126.3321 558458.9347 -3.5525 -3.5581 PRESSURE: 1057400 -236.135 9.71505 -115.806 9.71512 -134.713 -2.5525 -115.806 -2.55394 57.985 GPRESSURE: 1057400 -164.772 37.0969 -164.169 7.04144 -160.564 -7.89745 -75.2541 25.6849 121.458 PRESSAVG: 1057400 -34.5629 -4.51319 -23.142 -4.51321 -14.1165 -7.00976 -23.142 -7.00974 48.7167 GPRESSAVG: 1057400 -33.9481 -3.69228 -23.4429 -5.94725 -15.9666 -8.84428 -22.67 -4.42623 49.2496 TIMING: 1057400 CPU: 3150.79, 0.00298799/step Wall: 3150.79, 0.00298799/step, 3.27235 hours remaining, 208.964844 MB of memory in use. ENERGY: 1057400 760.7286 2034.5718 1934.6493 118.2538 -206149.7140 17640.9901 0.0000 0.0000 34279.2494 -149381.2710 299.3692 -183660.5203 -149285.3348 298.2685 -104.2876 -67.9595 559242.5895 0.0124 -0.2217 PRESSURE: 1057600 -106.585 -41.6714 120.913 -41.6719 -281.213 -188.57 120.915 -188.57 76.8492 GPRESSURE: 1057600 -42.9126 -104.76 206.032 11.3464 -270.725 -105.878 107.149 -135.134 99.1055 PRESSAVG: 1057600 44.0215 23.0504 -38.8855 23.0505 -39.5087 -65.9279 -38.8855 -65.9279 8.68713 GPRESSAVG: 1057600 43.3512 21.1003 -39.3779 23.3167 -39.3084 -64.3958 -39.1618 -68.268 8.54865 TIMING: 1057600 CPU: 3151.38, 0.00299308/step Wall: 3151.38, 0.00299308/step, 3.27775 hours remaining, 208.964844 MB of memory in use. ENERGY: 1057600 742.5910 2041.8072 1946.3879 108.4552 -206443.4843 17795.1288 0.0000 0.0000 34263.8394 -149545.2749 299.2346 -183809.1143 -149446.1902 298.5970 -103.6498 -71.5106 557695.5085 4.4000 4.1971 PRESSURE: 1057800 -306.381 -98.5596 84.7812 -98.5591 -147.824 50.3971 84.7805 50.3967 -183.174 GPRESSURE: 1057800 -212.024 -56.3104 24.0322 -84.0179 -120.91 77.2683 80.8275 31.6736 -203.527 PRESSAVG: 1057800 2.41876 0.214489 62.3034 0.214496 44.041 48.7708 62.3033 48.7709 -40.4082 GPRESSAVG: 1057800 3.29876 2.0786 64.132 -0.0951058 43.5321 48.5028 60.2614 48.6475 -41.0062 TIMING: 1057800 CPU: 3151.98, 0.00299125/step Wall: 3151.98, 0.00299126/step, 3.27559 hours remaining, 208.964844 MB of memory in use. ENERGY: 1057800 756.0478 2072.6367 1893.8188 107.3988 -206034.9105 17562.0259 0.0000 0.0000 34192.6903 -149450.2922 298.6133 -183642.9825 -149355.0770 298.6750 -212.4599 -178.8202 559360.4667 2.0172 1.9416 PRESSURE: 1058000 -8.09986 -90.7041 3.14821 -90.706 76.8096 -199.15 3.1496 -199.149 222.195 GPRESSURE: 1058000 4.19742 -103.659 -58.6319 -34.2679 105.147 -157.959 46.5901 -224.709 274.38 PRESSAVG: 1058000 -6.95221 35.4727 36.5354 35.4727 -40.9883 24.4228 36.5354 24.4228 60.2444 GPRESSAVG: 1058000 -8.43674 34.9723 35.5494 35.3218 -39.8061 25.0326 38.3754 24.1756 60.7691 TIMING: 1058000 CPU: 3152.58, 0.00298252/step Wall: 3152.58, 0.00298252/step, 3.26586 hours remaining, 208.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1058000 775.3221 2038.3144 1928.8628 126.3127 -206190.6397 17890.1939 0.0000 0.0000 34170.8611 -149260.7726 298.4226 -183431.6336 -149167.6235 299.2284 96.9682 127.9083 558324.7140 4.1013 4.1754 PRESSURE: 1058200 202.834 -18.0781 -47.5707 -18.0777 -87.3511 137.684 -47.5702 137.685 -159.448 GPRESSURE: 1058200 212.128 -13.5965 -99.4065 41.3588 -48.9714 80.8004 -27.1255 185.568 -106.269 PRESSAVG: 1058200 -67.1416 -21.8802 11.6339 -21.8802 2.49389 -19.3292 11.634 -19.3292 47.481 GPRESSAVG: 1058200 -66.8629 -19.7496 13.5985 -22.0938 2.05952 -19.8794 12.0712 -19.3916 47.6366 TIMING: 1058200 CPU: 3153.17, 0.00296197/step Wall: 3153.17, 0.00296197/step, 3.24319 hours remaining, 208.964844 MB of memory in use. ENERGY: 1058200 695.2850 2056.3430 1941.1561 112.7627 -206111.9549 17627.0070 0.0000 0.0000 34183.6530 -149495.7480 298.5343 -183679.4010 -149395.6869 298.9564 -14.6548 18.9623 558159.7391 -5.7222 -5.7222 PRESSURE: 1058400 -253.816 -94.8552 121.121 -94.8573 -151.97 -18.4885 121.122 -18.489 471.945 GPRESSURE: 1058400 -201.488 -109.905 134.058 -96.0992 -77.5072 -36.429 129.514 39.9339 438.534 PRESSAVG: 1058400 -43.5849 -46.8413 3.44533 -46.8413 -11.5376 14.3297 3.44514 14.3297 68.3674 GPRESSAVG: 1058400 -44.8061 -47.4454 2.76572 -46.9366 -10.6258 12.2128 3.81743 16.1513 68.295 TIMING: 1058400 CPU: 3153.77, 0.00298689/step Wall: 3153.77, 0.00298689/step, 3.27031 hours remaining, 208.964844 MB of memory in use. ENERGY: 1058400 760.2869 2025.5830 1944.6648 112.7471 -206379.3066 17972.1445 0.0000 0.0000 34055.3701 -149508.5102 297.4140 -183563.8803 -149415.5938 298.2890 22.0530 53.1796 558300.4865 4.4149 4.2877 PRESSURE: 1058600 -52.6138 -131.574 38.8158 -131.573 -98.7759 28.2408 38.8153 28.2403 -27.593 GPRESSURE: 1058600 -8.32042 -65.8752 6.67709 -170.76 -68.9314 54.5876 29.3618 47.1627 0.566397 PRESSAVG: 1058600 -56.7028 -14.9888 8.47322 -14.9889 36.5619 -19.2219 8.47334 -19.2218 37.994 GPRESSAVG: 1058600 -56.0891 -12.6995 6.34079 -15.4082 35.4792 -16.4145 8.52969 -22.7933 39.0745 TIMING: 1058600 CPU: 3154.37, 0.00299276/step Wall: 3154.37, 0.00299276/step, 3.27657 hours remaining, 208.964844 MB of memory in use. ENERGY: 1058600 755.5718 2085.3519 1963.5587 105.4542 -206134.1192 17783.4814 0.0000 0.0000 33971.1238 -149469.5774 296.6783 -183440.7012 -149383.0900 298.1077 -59.6609 -25.5618 557803.5987 5.9511 6.1549 PRESSURE: 1058800 103.879 -235.776 -16.7995 -235.774 109.967 -164.024 -16.8016 -164.023 98.2401 GPRESSURE: 1058800 104.592 -214.434 -31.7574 -229.557 123.152 -75.4424 11.3198 -168.742 188.862 PRESSAVG: 1058800 -36.8166 -9.10862 -22.8955 -9.10857 10.4041 31.1205 -22.8955 31.1205 8.25117 GPRESSAVG: 1058800 -35.939 -9.34271 -22.3922 -9.06415 11.2809 29.9915 -23.4374 34.235 6.9476 TIMING: 1058800 CPU: 3154.96, 0.00297331/step Wall: 3154.96, 0.00297331/step, 3.25511 hours remaining, 208.964844 MB of memory in use. ENERGY: 1058800 715.9956 2085.0694 1952.1541 117.5339 -206479.7417 17927.2880 0.0000 0.0000 34259.1001 -149422.6006 299.1932 -183681.7007 -149327.2722 298.3566 104.0290 138.8687 556947.2277 -6.0538 -5.9035 PRESSURE: 1059000 -177.628 122.293 110.094 122.292 181.969 -21.7801 110.093 -21.7807 214.833 GPRESSURE: 1059000 -145.752 90.1004 -16.6704 187.078 197.534 -45.8144 164.451 -63.5027 251.861 PRESSAVG: 1059000 -81.8425 -39.5567 14.1916 -39.5567 -6.35768 7.38135 14.1916 7.38143 67.4711 GPRESSAVG: 1059000 -81.9908 -42.5338 15.3771 -37.5427 -5.70623 6.23141 13.0186 5.38149 66.5281 TIMING: 1059000 CPU: 3155.56, 0.0030077/step Wall: 3155.56, 0.0030077/step, 3.2926 hours remaining, 208.964844 MB of memory in use. ENERGY: 1059000 756.3269 2098.0707 1937.7652 103.2627 -206319.4684 17957.6838 0.0000 0.0000 33968.7670 -149497.5921 296.6577 -183466.3591 -149402.5909 298.3582 73.0581 101.2142 557357.5813 -6.9097 -7.0563 PRESSURE: 1059200 -414.041 -6.69022 -71.8784 -6.68905 -31.9296 -6.60387 -71.8783 -6.60465 -85.5266 GPRESSURE: 1059200 -385.617 -82.5318 -95.7332 15.0422 14.619 -24.6748 -115.184 13.2663 -62.0009 PRESSAVG: 1059200 -67.2862 5.4946 -60.5347 5.49444 -6.86846 36.2146 -60.5348 36.2146 77.4874 GPRESSAVG: 1059200 -67.8484 6.41925 -60.5708 3.55854 -6.91893 36.7547 -59.2807 36.5796 77.9285 TIMING: 1059200 CPU: 3156.16, 0.00296146/step Wall: 3156.16, 0.00296146/step, 3.24182 hours remaining, 208.964844 MB of memory in use. ENERGY: 1059200 709.8782 2111.4191 1927.3583 113.9586 -206164.1228 17552.8108 0.0000 0.0000 34277.2864 -149471.4114 299.3521 -183748.6978 -149370.0738 298.6703 -177.1656 -144.3329 557855.8563 1.1109 1.0537 PRESSURE: 1059400 -51.6543 93.814 220.114 93.8136 177.606 159.657 220.114 159.658 97.1841 GPRESSURE: 1059400 -20.9664 73.673 142.487 111.546 189.459 93.0406 190.578 191.663 154.614 PRESSAVG: 1059400 -57.3891 44.6688 13.4109 44.669 21.4949 48.5802 13.4109 48.5802 11.0814 GPRESSAVG: 1059400 -57.5326 44.3087 13.9449 47.1463 21.1933 47.3566 12.8575 50.601 11.3394 TIMING: 1059400 CPU: 3156.75, 0.00297734/step Wall: 3156.75, 0.00297734/step, 3.25903 hours remaining, 208.964844 MB of memory in use. ENERGY: 1059400 750.8188 2093.3846 1909.0476 109.7335 -206351.3742 17797.4450 0.0000 0.0000 34185.9818 -149504.9628 298.5547 -183690.9447 -149407.9998 298.7450 74.3786 107.7022 555711.1385 -8.2709 -8.3333 PRESSURE: 1059600 194.407 129.135 -133.505 129.135 -134.261 31.0854 -133.505 31.0861 -105.666 GPRESSURE: 1059600 191.011 113.466 -86.3964 180.711 -66.0228 48.451 -137.121 -63.8269 -62.7417 PRESSAVG: 1059600 -68.0082 -1.06807 51.184 -1.06797 52.3172 2.65005 51.1839 2.64997 37.0988 GPRESSAVG: 1059600 -68.3457 -0.229098 52.325 -2.3471 52.4461 3.64228 51.3441 0.0286455 36.7083 TIMING: 1059600 CPU: 3157.35, 0.00298253/step Wall: 3157.35, 0.00298253/step, 3.26455 hours remaining, 208.964844 MB of memory in use. ENERGY: 1059600 736.7155 2061.3755 1917.1277 135.2649 -206526.5020 17778.6925 0.0000 0.0000 34429.4468 -149467.8791 300.6809 -183897.3259 -149368.3932 299.0213 -15.1735 20.7487 556655.0328 7.1359 6.9363 PRESSURE: 1059800 -83.6134 214.936 -64.5163 214.935 -60.5021 -101.174 -64.5169 -101.175 -72.6714 GPRESSURE: 1059800 -36.589 247.367 -72.8587 169.322 -26.1929 -75.7115 -63.4105 -150.759 -36.5485 PRESSAVG: 1059800 -88.2798 4.26947 -18.9413 4.2694 -43.5922 -25.0831 -18.9412 -25.0831 71.7858 GPRESSAVG: 1059800 -87.3306 5.49065 -20.9058 3.82106 -44.8141 -26.0379 -16.4611 -24.7004 72.5176 TIMING: 1059800 CPU: 3157.94, 0.00298222/step Wall: 3157.94, 0.00298222/step, 3.26404 hours remaining, 208.964844 MB of memory in use. ENERGY: 1059800 740.9242 2095.2940 1914.3888 116.6926 -206371.5330 17716.5421 0.0000 0.0000 34118.4748 -149669.2165 297.9651 -183787.6913 -149567.6639 299.0360 -72.2623 -33.1101 556363.9094 -20.0287 -19.8757 PRESSURE: 1060000 -97.7416 24.5472 -7.98778 24.5481 48.8173 44.7584 -7.98819 44.7596 96.2294 GPRESSURE: 1060000 -24.8339 -16.5948 -28.2432 58.5431 34.4618 97.8466 65.2586 45.1006 127.865 PRESSAVG: 1060000 -55.0448 -10.3851 -41.5378 -10.385 4.16468 -9.13029 -41.5377 -9.13022 38.3889 GPRESSAVG: 1060000 -55.4175 -13.0467 -39.7248 -7.44954 4.11977 -7.34363 -43.4785 -6.35004 38.9236 TIMING: 1060000 CPU: 3158.54, 0.00296731/step Wall: 3158.54, 0.00296731/step, 3.24756 hours remaining, 208.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1060000 755.7545 2083.7949 1928.4711 111.6880 -206591.8758 17967.5928 0.0000 0.0000 34217.2555 -149527.3190 298.8278 -183744.5746 -149435.5149 298.5122 15.7684 45.8308 556716.8029 -4.1637 -4.1247 PRESSURE: 1060200 40.8187 76.7603 -11.9037 76.7602 144.239 -6.5013 -11.9031 -6.50256 -8.05793 GPRESSURE: 1060200 126.658 80.0848 -31.4032 61.8658 122.158 -78.0436 5.32553 -45.1479 34.4045 PRESSAVG: 1060200 9.03631 0.769435 38.1294 0.769483 -14.104 -15.4697 38.1295 -15.4699 21.1461 GPRESSAVG: 1060200 9.45616 0.264776 37.8472 -1.7701 -14.7407 -18.6313 37.6458 -17.7197 21.4609 TIMING: 1060200 CPU: 3159.13, 0.00296922/step Wall: 3159.13, 0.00296922/step, 3.24948 hours remaining, 208.964844 MB of memory in use. ENERGY: 1060200 731.5343 2131.6424 1927.9188 108.4402 -206652.0974 18036.1320 0.0000 0.0000 34307.1086 -149409.3212 299.6125 -183716.4298 -149314.3042 298.5108 59.0000 94.4068 556728.5732 5.3595 5.3921 LDB: ============= START OF LOAD BALANCING ============== 3162.68 LDB: ============== END OF LOAD BALANCING =============== 3162.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3162.68 LDB: ============= START OF LOAD BALANCING ============== 3162.98 LDB: Largest compute 4773 load 0.027474 is 23.2% of average load 0.118189 LDB: Average compute 0.001723 is 1.5% of average load 0.118189 LDB: TIME 3162.98 LOAD: AVG 0.118189 MAX 0.206289 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.641 MB LDB: TIME 3162.98 LOAD: AVG 0.118189 MAX 0.206289 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.641 MB LDB: TIME 3162.98 LOAD: AVG 0.118189 MAX 0.206289 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3162.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3162.99 PRESSURE: 1060400 83.8317 141.428 -16.78 141.428 45.2921 -47.9725 -16.7798 -47.9731 -199.767 GPRESSURE: 1060400 85.725 174.291 -86.112 130.077 103.244 -67.4179 -2.72381 11.8484 -157.71 PRESSAVG: 1060400 -9.70099 -3.49829 -20.2061 -3.4984 18.5437 -25.1964 -20.206 -25.1964 10.3466 GPRESSAVG: 1060400 -9.87989 -0.724857 -20.3889 -3.41349 18.7743 -23.3878 -19.7957 -25.2058 9.54311 TIMING: 1060400 CPU: 3159.74, 0.00302904/step Wall: 3159.74, 0.00302904/step, 3.31478 hours remaining, 206.640625 MB of memory in use. ENERGY: 1060400 750.7705 2110.9903 1911.6427 108.3550 -206240.6665 17752.9735 0.0000 0.0000 34207.1401 -149398.7944 298.7395 -183605.9345 -149313.8650 298.8499 -23.5478 10.4195 556730.8481 6.3964 6.1459 PRESSURE: 1060600 42.3154 125.977 149.325 125.976 -184.444 63.9286 149.324 63.9283 -170.848 GPRESSURE: 1060600 77.8716 117.043 97.322 131.282 -167.985 107.234 162.386 59.6207 -124.513 PRESSAVG: 1060600 26.3055 -34.5284 -90.3493 -34.5283 -36.1781 -94.1043 -90.3493 -94.1044 23.3906 GPRESSAVG: 1060600 26.6727 -36.1167 -92.1485 -33.8963 -36.527 -91.7767 -89.5539 -93.8207 24.0088 TIMING: 1060600 CPU: 3160.33, 0.00298155/step Wall: 3160.33, 0.00298155/step, 3.26265 hours remaining, 206.640625 MB of memory in use. ENERGY: 1060600 751.6217 2101.7381 1909.9861 118.8788 -206408.9079 17689.6122 0.0000 0.0000 34356.2513 -149480.8196 300.0417 -183837.0709 -149390.5159 298.9321 -104.3254 -71.5422 556558.2034 4.5060 4.7182 PRESSURE: 1060800 -455.698 -39.861 -150.436 -39.8616 102.364 -121.104 -150.437 -121.105 -233.38 GPRESSURE: 1060800 -434.816 -112.486 -56.0453 -42.5702 120.772 -98.1586 -166.339 -80.5018 -191.313 PRESSAVG: 1060800 30.2664 19.1759 -11.345 19.1759 -41.8664 20.5815 -11.3451 20.5815 2.60239 GPRESSAVG: 1060800 31.2364 20.2507 -9.80655 18.1712 -40.8993 17.821 -12.3306 22.5624 1.08574 TIMING: 1060800 CPU: 3160.93, 0.00300225/step Wall: 3160.93, 0.00300225/step, 3.28513 hours remaining, 206.640625 MB of memory in use. ENERGY: 1060800 770.2185 2124.2583 1930.2193 108.3343 -206378.3140 17639.3289 0.0000 0.0000 34197.8938 -149608.0608 298.6587 -183805.9547 -149506.6897 299.2268 -195.5714 -168.4524 556524.0140 -2.9992 -2.8590 PRESSURE: 1061000 10.8394 -271.387 -115.362 -271.385 -90.5518 -11.5584 -115.364 -11.5588 49.2823 GPRESSURE: 1061000 51.2707 -263.076 -22.5493 -189.784 -68.3509 -104.428 -171.392 2.75037 90.3074 PRESSAVG: 1061000 43.2607 -48.2682 -66.4282 -48.2683 14.3003 -14.7249 -66.4282 -14.7249 -39.7665 GPRESSAVG: 1061000 42.2713 -50.3143 -65.8894 -47.0629 13.184 -15.1631 -66.1363 -14.7153 -37.9757 TIMING: 1061000 CPU: 3161.53, 0.00296838/step Wall: 3161.53, 0.00296838/step, 3.2479 hours remaining, 206.640625 MB of memory in use. ENERGY: 1061000 802.1392 2111.4131 1924.7972 103.7628 -206509.9753 17853.1999 0.0000 0.0000 34147.8223 -149566.8408 298.2214 -183714.6630 -149473.8890 298.5627 -10.1434 24.4090 556298.6477 5.9315 5.8265 PRESSURE: 1061200 43.0179 93.1067 90.6306 93.1065 197.031 -8.99497 90.6304 -8.9961 66.8046 GPRESSURE: 1061200 57.1436 108.623 135.702 110.641 182.125 -89.274 -10.2136 74.5629 168.15 PRESSAVG: 1061200 6.46921 71.4667 -24.5943 71.4667 22.2271 30.4222 -24.5943 30.4222 1.51881 GPRESSAVG: 1061200 6.59757 74.5055 -25.7436 69.7815 22.7931 31.987 -23.39 28.6497 0.717607 TIMING: 1061200 CPU: 3162.12, 0.00297391/step Wall: 3162.12, 0.00297391/step, 3.25378 hours remaining, 206.640625 MB of memory in use. ENERGY: 1061200 736.4009 2109.8978 1954.4183 100.9349 -206819.4246 18199.9079 0.0000 0.0000 34128.3159 -149589.5489 298.0511 -183717.8648 -149497.0547 298.5980 102.2846 135.8062 557506.4638 10.0717 10.0361 PRESSURE: 1061400 -39.3793 199.434 -93.9693 199.435 116.844 120.065 -93.9702 120.065 -140.9 GPRESSURE: 1061400 80.5095 205.974 -71.2055 200.806 171.205 95.198 -149.838 140.539 -198.604 PRESSAVG: 1061400 32.3465 41.2852 -0.864399 41.2853 -0.998074 3.93386 -0.864271 3.93378 -32.6718 GPRESSAVG: 1061400 31.6708 41.3166 1.33224 42.7616 -0.649652 5.96869 -3.35725 3.32289 -32.7496 TIMING: 1061400 CPU: 3162.72, 0.00296724/step Wall: 3162.72, 0.00296724/step, 3.24633 hours remaining, 206.640625 MB of memory in use. ENERGY: 1061400 735.4473 2099.0714 1936.1398 122.0552 -206488.0672 17986.7648 0.0000 0.0000 33994.8698 -149613.7189 296.8857 -183608.5887 -149513.2652 297.9848 -21.1453 17.7035 557846.7671 -0.4411 -0.5762 PRESSURE: 1061600 50.7468 -63.3278 41.4341 -63.3291 -290.48 -107.347 41.4337 -107.347 -445.921 GPRESSURE: 1061600 89.3027 -62.2314 -25.5752 -66.626 -234.423 -183.675 118.125 -75.252 -445.223 PRESSAVG: 1061600 30.0834 40.0433 -37.9295 40.0433 46.3697 -51.8368 -37.9295 -51.8367 -21.4929 GPRESSAVG: 1061600 29.1633 38.3204 -38.5272 38.9332 46.5031 -54.8428 -37.8167 -52.7821 -21.4114 TIMING: 1061600 CPU: 3163.31, 0.0029668/step Wall: 3163.31, 0.0029668/step, 3.24568 hours remaining, 206.640625 MB of memory in use. ENERGY: 1061600 787.7459 2059.7615 1920.5507 112.9697 -206322.9827 17680.9146 0.0000 0.0000 34144.8219 -149616.2185 298.1952 -183761.0404 -149513.8818 298.7187 -228.5513 -196.7810 557286.1100 18.3200 18.0850 PRESSURE: 1061800 -182.762 -98.6624 2.41727 -98.6613 -153.818 69.3334 2.4186 69.3336 -64.6623 GPRESSURE: 1061800 -159.868 -49.9268 43.3739 -32.7294 -132.802 27.0232 92.8666 121.624 -11.4308 PRESSAVG: 1061800 -20.8666 1.93623 -18.1193 1.93631 -52.8516 4.43861 -18.1193 4.4388 44.2693 GPRESSAVG: 1061800 -20.4925 2.13574 -16.8458 3.0866 -53.1131 6.68472 -19.1776 5.83079 43.7758 TIMING: 1061800 CPU: 3163.9, 0.00296284/step Wall: 3163.9, 0.00296284/step, 3.24118 hours remaining, 206.640625 MB of memory in use. ENERGY: 1061800 740.4951 2082.7421 1941.5251 110.8928 -206304.4354 17631.7560 0.0000 0.0000 34208.7262 -149588.2981 298.7533 -183797.0243 -149489.5029 297.9812 -133.7474 -101.3670 557083.2114 -9.8163 -9.9433 PRESSURE: 1062000 113.866 88.9187 -74.6706 88.9182 134.62 0.483107 -74.6707 0.485465 96.4996 GPRESSURE: 1062000 141.996 21.8973 -62.6167 140.364 211.421 -42.2444 -86.2298 -2.92276 92.5221 PRESSAVG: 1062000 -15.4855 20.8086 -48.1751 20.8086 -67.8854 22.6974 -48.1751 22.6973 110.929 GPRESSAVG: 1062000 -15.4242 19.6042 -48 20.0447 -67.7508 20.9012 -47.7404 25.7739 111.104 TIMING: 1062000 CPU: 3164.49, 0.0029614/step Wall: 3164.49, 0.0029614/step, 3.23944 hours remaining, 206.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1062000 700.8140 2044.1336 1923.5659 112.2858 -206843.5771 18155.1786 0.0000 0.0000 34327.0076 -149580.5915 299.7863 -183907.5992 -149477.1248 298.6445 114.9954 148.6466 557038.2283 9.1860 9.3095 PRESSURE: 1062200 -91.496 -162.313 -60.5491 -162.313 38.4436 98.8814 -60.5487 98.8832 251.874 GPRESSURE: 1062200 -11.9463 -212.926 -26.0355 -183.597 54.1042 118.103 -62.8576 95.08 262.918 PRESSAVG: 1062200 -64.3258 -27.4371 -13.2748 -27.4371 21.411 72.1574 -13.2748 72.1573 80.4496 GPRESSAVG: 1062200 -64.3607 -27.0881 -16.1528 -27.3341 21.2927 73.7408 -10.2102 68.7263 80.3321 TIMING: 1062200 CPU: 3165.09, 0.00297508/step Wall: 3165.09, 0.00297508/step, 3.25424 hours remaining, 206.640625 MB of memory in use. ENERGY: 1062200 762.7463 2086.8271 1918.3504 115.2518 -206765.0680 18034.8326 0.0000 0.0000 34315.5838 -149531.4759 299.6865 -183847.0597 -149439.0481 298.7275 66.2740 101.6921 555785.4876 12.5116 12.4214 PRESSURE: 1062400 -95.9507 -63.4365 -202.614 -63.4362 -129.972 -117.541 -202.615 -117.542 43.4412 GPRESSURE: 1062400 -15.4577 -67.2321 -204.019 -102.025 -140.368 -109.101 -124.263 -125.878 64.839 PRESSAVG: 1062400 32.9985 -55.7303 -15.2296 -55.7304 -76.3647 -22.2639 -15.2298 -22.2638 49.8648 GPRESSAVG: 1062400 33.7424 -55.1839 -13.6399 -53.8688 -77.5874 -22.3709 -17.46 -21.0646 50.1059 TIMING: 1062400 CPU: 3165.68, 0.00296518/step Wall: 3165.68, 0.00296518/step, 3.24325 hours remaining, 206.640625 MB of memory in use. ENERGY: 1062400 777.6231 2118.9662 1915.4716 120.3444 -206185.3844 17762.7764 0.0000 0.0000 34160.1455 -149330.0573 298.3290 -183490.2028 -149229.3750 299.1809 -60.8272 -30.3289 556433.7962 2.1662 2.0870 PRESSURE: 1062600 -135.592 27.8953 94.5543 27.8942 139.779 27.5745 94.5545 27.5755 -6.87378 GPRESSURE: 1062600 -118.897 -33.4651 89.624 -58.8452 168.334 -23.9454 79.1809 97.2329 48.9312 PRESSAVG: 1062600 45.1461 21.9695 -2.82541 21.9694 -16.3407 15.1454 -2.82545 15.1455 -65.5978 GPRESSAVG: 1062600 44.0026 20.3169 -2.84042 20.5178 -15.2351 15.9588 -1.81441 14.9233 -65.5569 TIMING: 1062600 CPU: 3166.28, 0.0029676/step Wall: 3166.28, 0.0029676/step, 3.24573 hours remaining, 206.640625 MB of memory in use. ENERGY: 1062600 737.0061 2043.8666 1935.3832 107.1249 -206419.4366 17945.5412 0.0000 0.0000 34241.2272 -149409.2872 299.0372 -183650.5144 -149316.8637 299.4369 -0.8957 32.7891 556574.1421 -12.2641 -12.2631 PRESSURE: 1062800 217.078 -81.901 31.7513 -81.901 71.3857 29.8465 31.7509 29.8483 -200.308 GPRESSURE: 1062800 261.073 17.9549 -84.1665 -107.739 96.3325 -20.5069 42.6289 57.5902 -174.516 PRESSAVG: 1062800 15.7091 14.5758 3.13158 14.5758 74.158 -45.1519 3.13171 -45.1518 -68.7431 GPRESSAVG: 1062800 16.6352 18.0831 0.52907 14.2879 74.2233 -47.7061 3.1773 -45.7735 -69.8168 TIMING: 1062800 CPU: 3166.87, 0.00296291/step Wall: 3166.87, 0.00296291/step, 3.24043 hours remaining, 206.640625 MB of memory in use. ENERGY: 1062800 790.2196 2044.0747 1928.8745 94.7848 -206631.4980 18044.4921 0.0000 0.0000 34282.5484 -149446.5039 299.3980 -183729.0523 -149344.6127 299.3146 29.3852 60.9631 557193.4041 7.0413 7.0139 PRESSURE: 1063000 33.4094 -106.382 43.1945 -106.383 -139.873 28.9711 43.1939 28.9713 -404.676 GPRESSURE: 1063000 44.1981 -158.537 -22.3769 -26.4955 -98.4596 -56.3015 63.0183 13.44 -351.833 PRESSAVG: 1063000 37.7017 -3.38905 13.1974 -3.38907 40.9661 -5.38996 13.1974 -5.38997 -32.3554 GPRESSAVG: 1063000 36.9391 -3.19488 13.5883 -3.89808 40.1241 -2.27874 11.3554 -5.88777 -31.4155 TIMING: 1063000 CPU: 3167.47, 0.00300147/step Wall: 3167.47, 0.00300147/step, 3.28244 hours remaining, 206.640625 MB of memory in use. ENERGY: 1063000 765.1755 2090.4631 1931.5306 108.0921 -206111.7593 17711.5947 0.0000 0.0000 34204.0199 -149300.8834 298.7122 -183504.9032 -149201.7010 298.7360 -170.3796 -135.3648 557531.2866 15.4375 15.2159 PRESSURE: 1063200 -95.8353 102.06 183.489 102.06 -101.415 -78.3907 183.489 -78.3921 -161.802 GPRESSURE: 1063200 -8.96676 82.4553 141.981 91.7592 -48.506 -146.572 89.0522 -39.8105 -195.601 PRESSAVG: 1063200 -64.0069 57.1185 15.2404 57.1185 41.975 -9.77485 15.2404 -9.77488 29.2514 GPRESSAVG: 1063200 -65.2548 55.4913 16.4111 57.8514 43.6591 -13.5237 14.7395 -7.17407 28.5771 TIMING: 1063200 CPU: 3168.07, 0.00300494/step Wall: 3168.07, 0.00300494/step, 3.28606 hours remaining, 206.640625 MB of memory in use. ENERGY: 1063200 747.3683 2052.9217 1923.4981 124.1611 -206364.5688 17728.7043 0.0000 0.0000 34414.4668 -149373.4484 300.5501 -183787.9152 -149278.5102 299.6771 -119.6840 -84.3579 556398.1377 2.4065 2.3271 PRESSURE: 1063400 25.8774 72.8489 -76.9175 72.849 62.6064 -22.3022 -76.9169 -22.3019 -217.653 GPRESSURE: 1063400 16.2612 20.0285 -20.057 158.984 50.7975 -24.8916 -77.5336 -67.1855 -97.8164 PRESSAVG: 1063400 10.1327 56.3422 63.9206 56.3422 6.945 24.5174 63.9207 24.5173 -16.518 GPRESSAVG: 1063400 10.2555 56.1403 63.3926 55.163 6.23111 25.0815 67.1078 23.2682 -15.8105 TIMING: 1063400 CPU: 3168.67, 0.0030014/step Wall: 3168.67, 0.0030014/step, 3.28204 hours remaining, 206.640625 MB of memory in use. ENERGY: 1063400 782.0697 2051.7995 1926.1744 109.7849 -206485.5881 17905.1781 0.0000 0.0000 34377.0528 -149333.5287 300.2234 -183710.5815 -149238.7397 299.7183 -43.0565 -10.2526 557725.4223 0.1866 0.2254 PRESSURE: 1063600 -197.009 50.7399 207.174 50.7398 -43.8023 129.496 207.174 129.499 -116.098 GPRESSURE: 1063600 -168.116 14.0324 203.985 -69.7366 -50.2812 93.2095 220.997 83.4265 -40.9554 PRESSAVG: 1063600 61.6075 10.637 27.0865 10.6368 1.87405 33.9033 27.0865 33.9033 -22.0391 GPRESSAVG: 1063600 61.8081 10.6943 27.9617 12.8815 2.38093 33.6218 24.4977 33.4808 -22.2851 TIMING: 1063600 CPU: 3169.27, 0.00297689/step Wall: 3169.27, 0.00297689/step, 3.25506 hours remaining, 206.640625 MB of memory in use. ENERGY: 1063600 783.3155 2069.8455 1930.8968 105.0445 -206336.4188 17720.4107 0.0000 0.0000 34379.4962 -149347.4095 300.2447 -183726.9058 -149254.5776 298.9464 -118.9698 -86.4507 557010.8085 13.8141 13.9680 PRESSURE: 1063800 -78.777 -39.9314 -196.51 -39.9296 46.708 -14.9444 -196.51 -14.9443 -285.826 GPRESSURE: 1063800 7.7386 17.9132 -112.09 -50.6907 21.0504 -83.1817 -252.431 60.5228 -249.945 PRESSAVG: 1063800 10.3025 34.9291 -2.98465 34.929 6.16601 -6.81392 -2.98471 -6.81389 -1.74178 GPRESSAVG: 1063800 11.0496 35.5664 -2.52165 33.0145 5.85546 -5.22176 -1.96866 -7.37269 -1.7358 TIMING: 1063800 CPU: 3169.86, 0.00296987/step Wall: 3169.86, 0.00296987/step, 3.24722 hours remaining, 206.640625 MB of memory in use. ENERGY: 1063800 762.2894 2074.8879 1935.5349 118.9951 -206594.6985 17887.9869 0.0000 0.0000 34251.6035 -149563.4007 299.1278 -183815.0042 -149476.4284 298.9974 -105.9648 -73.7186 556560.8053 4.9089 5.0564 PRESSURE: 1064000 -106.431 56.2171 -27.696 56.2163 -290.024 -16.2363 -27.6965 -16.2353 -153.261 GPRESSURE: 1064000 -47.0934 109.178 -83.1119 32.512 -239.034 48.4372 23.1157 -39.4358 -156.189 PRESSAVG: 1064000 45.9515 17.8131 14.9322 17.8131 25.982 -10.4508 14.9322 -10.4508 -16.5267 GPRESSAVG: 1064000 45.0027 16.1092 13.8291 18.4806 26.4512 -10.0427 16.2802 -11.5042 -16.2133 TIMING: 1064000 CPU: 3170.46, 0.00299614/step Wall: 3170.46, 0.00299614/step, 3.27578 hours remaining, 206.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1064000 768.3021 2093.1374 1897.3195 120.7126 -206446.4145 17810.0624 0.0000 0.0000 34336.0734 -149420.8070 299.8655 -183756.8803 -149325.5987 298.3156 -183.2384 -147.4388 557300.1256 18.4689 18.4135 PRESSURE: 1064200 182.293 -40.8301 55.3198 -40.8303 -6.73539 172.47 55.3201 172.47 -49.2235 GPRESSURE: 1064200 200.92 25.1936 79.9286 -86.9906 15.6445 144.629 36.6446 164.295 6.70381 PRESSAVG: 1064200 45.8098 -16.5503 -17.9867 -16.5502 -76.633 -3.83831 -17.9867 -3.83826 47.0557 GPRESSAVG: 1064200 47.4612 -13.4755 -17.1503 -17.7907 -78.1957 -5.73854 -19.3417 -3.08479 46.6178 TIMING: 1064200 CPU: 3171.06, 0.00299715/step Wall: 3171.06, 0.00299715/step, 3.27672 hours remaining, 206.640625 MB of memory in use. ENERGY: 1064200 767.4868 2090.2539 1917.4120 104.5092 -206221.5722 17809.3497 0.0000 0.0000 34023.0815 -149509.4791 297.1320 -183532.5605 -149411.9399 298.3788 42.1113 74.4228 557106.0701 5.4108 5.2944 LDB: ============= START OF LOAD BALANCING ============== 3174.61 LDB: ============== END OF LOAD BALANCING =============== 3174.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3174.61 LDB: ============= START OF LOAD BALANCING ============== 3174.91 LDB: Largest compute 4773 load 0.029256 is 24.7% of average load 0.118212 LDB: Average compute 0.001730 is 1.5% of average load 0.118212 LDB: TIME 3174.91 LOAD: AVG 0.118212 MAX 0.206924 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.414 MB LDB: TIME 3174.91 LOAD: AVG 0.118212 MAX 0.206924 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.414 MB LDB: TIME 3174.91 LOAD: AVG 0.118212 MAX 0.206924 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.414 MB LDB: ============== END OF LOAD BALANCING =============== 3174.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3174.92 PRESSURE: 1064400 481.241 73.2201 -176.327 73.2193 83.5006 -84.8716 -176.327 -84.8721 -40.1323 GPRESSURE: 1064400 500.057 90.6359 -138.338 29.9741 157.49 -59.4904 -190.465 -94.7363 -30.347 PRESSAVG: 1064400 75.8077 -11.2722 -22.1315 -11.2722 -101.269 17.8383 -22.1315 17.8383 46.276 GPRESSAVG: 1064400 74.9997 -12.4221 -22.9443 -9.89041 -100.221 17.1097 -20.6722 19.2576 46.3513 TIMING: 1064400 CPU: 3171.67, 0.00303388/step Wall: 3171.67, 0.00303388/step, 3.31671 hours remaining, 207.406250 MB of memory in use. ENERGY: 1064400 750.2162 2099.0390 1916.9167 113.6212 -206789.9831 18068.0162 0.0000 0.0000 34297.9128 -149544.2610 299.5322 -183842.1738 -149444.2961 298.3665 174.8698 209.0668 555924.6834 6.9382 7.0434 PRESSURE: 1064600 -271.517 17.7353 106.252 17.7347 -10.2543 -19.8978 106.252 -19.8973 -244.247 GPRESSURE: 1064600 -272.664 36.4686 94.1126 -23.6782 11.9976 -49.3409 62.8813 -61.6868 -176.372 PRESSAVG: 1064600 -38.0049 -39.0322 -57.7441 -39.0321 83.8413 9.2515 -57.7441 9.25146 -11.7069 GPRESSAVG: 1064600 -38.8227 -40.7936 -56.7533 -38.3455 84.4142 10.0309 -58.4206 6.67807 -11.532 TIMING: 1064600 CPU: 3172.26, 0.00297778/step Wall: 3172.26, 0.00297778/step, 3.25521 hours remaining, 207.550781 MB of memory in use. ENERGY: 1064600 745.6436 2084.2259 1939.6626 117.1932 -206200.7640 17543.4292 0.0000 0.0000 34016.4587 -149754.1508 297.0742 -183770.6095 -149661.9061 297.6924 -175.3394 -145.6795 556952.7416 11.3765 11.3532 PRESSURE: 1064800 -72.2832 95.0653 131.375 95.0658 18.9893 56.7177 131.377 56.7164 -70.9347 GPRESSURE: 1064800 -52.0753 66.3623 140.649 149.233 53.8383 20.2045 88.586 105.233 -31.8897 PRESSAVG: 1064800 -12.4189 36.5655 40.8132 36.5656 -14.3451 33.7231 40.8132 33.7231 -4.89413 GPRESSAVG: 1064800 -12.961 38.5899 39.4855 35.5695 -13.0767 35.1018 40.4524 33.0115 -5.53215 TIMING: 1064800 CPU: 3172.86, 0.00297971/step Wall: 3172.86, 0.00297971/step, 3.25715 hours remaining, 207.550781 MB of memory in use. ENERGY: 1064800 738.6162 2065.4318 1941.3342 120.9195 -206380.6741 17788.1780 0.0000 0.0000 34013.3206 -149712.8737 297.0468 -183726.1943 -149617.2633 297.9788 -41.4096 -10.0422 556936.4543 -10.5527 -10.5233 PRESSURE: 1065000 166.791 -122.902 87.4948 -122.902 -17.7322 73.0068 87.4956 73.0072 -2.51734 GPRESSURE: 1065000 232.274 -110.167 99.2859 -125.663 11.1943 73.9402 56.4799 39.922 3.74603 PRESSAVG: 1065000 50.639 -16.1327 -28.6981 -16.1327 -24.4818 38.8145 -28.698 38.8145 -46.6562 GPRESSAVG: 1065000 50.7853 -17.0793 -29.0913 -14.7553 -26.5934 38.006 -29.0384 40.4216 -44.7831 TIMING: 1065000 CPU: 3173.45, 0.00294912/step Wall: 3173.45, 0.00294912/step, 3.22356 hours remaining, 207.550781 MB of memory in use. ENERGY: 1065000 744.4501 2057.2059 1958.0841 115.0782 -206769.6262 17983.7368 0.0000 0.0000 34386.0072 -149525.0639 300.3016 -183911.0711 -149420.1520 298.6168 48.8471 82.4048 556696.9594 -6.8330 -6.8637 PRESSURE: 1065200 -12.2248 -182.693 76.532 -182.692 25.0453 61.1135 76.5329 61.1137 -170.105 GPRESSURE: 1065200 29.9025 -115.566 6.75002 -153.533 50.4966 116.655 160.318 29.7703 -141.247 PRESSAVG: 1065200 42.7273 7.22446 -48.8621 7.22453 28.2644 18.7193 -48.8622 18.7192 -43.097 GPRESSAVG: 1065200 44.1325 9.16484 -48.6613 6.63779 28.1745 17.9836 -47.1261 19.0933 -44.369 TIMING: 1065200 CPU: 3174.05, 0.00299502/step Wall: 3174.05, 0.00299502/step, 3.27356 hours remaining, 207.550781 MB of memory in use. ENERGY: 1065200 778.3645 2103.0526 1929.6690 112.5774 -206708.5212 18102.3289 0.0000 0.0000 34271.4345 -149411.0942 299.3010 -183682.5287 -149320.2801 298.9508 -52.4283 -20.2826 557632.4259 9.2982 9.3127 PRESSURE: 1065400 -54.8785 57.4786 126.025 57.4785 79.4313 -140.386 126.026 -140.386 179.256 GPRESSURE: 1065400 3.01481 138.791 29.9474 -33.281 104.308 -254.43 160.535 -79.3458 195.916 PRESSAVG: 1065400 -51.2184 -17.9024 -9.85816 -17.9024 -0.519012 29.577 -9.85808 29.577 33.1225 GPRESSAVG: 1065400 -51.0547 -18.3617 -7.80649 -19.2186 -0.176065 29.9302 -10.9549 29.7377 32.5235 TIMING: 1065400 CPU: 3174.64, 0.00297459/step Wall: 3174.64, 0.00297459/step, 3.25106 hours remaining, 207.550781 MB of memory in use. ENERGY: 1065400 738.9878 2048.2709 1896.6120 113.0656 -206578.6302 18068.3492 0.0000 0.0000 34111.9893 -149601.3554 297.9085 -183713.3447 -149513.4812 297.7336 67.9361 101.0795 556709.6882 -6.2050 -6.2358 PRESSURE: 1065600 -144.943 -135.993 67.0079 -135.991 -15.4998 -127.82 67.0081 -127.82 -219.373 GPRESSURE: 1065600 -97.4422 -130.51 59.457 -70.1043 -22.5016 -49.5004 66.1806 -97.0906 -163.314 PRESSAVG: 1065600 -22.8303 42.2653 -30.188 42.2652 7.10631 2.9529 -30.188 2.953 26.6845 GPRESSAVG: 1065600 -23.8259 41.2523 -29.862 41.6931 6.39639 5.29725 -30.6 2.43629 28.103 TIMING: 1065600 CPU: 3175.24, 0.0029737/step Wall: 3175.24, 0.0029737/step, 3.24993 hours remaining, 207.550781 MB of memory in use. ENERGY: 1065600 732.1250 2048.5257 1951.9131 113.8916 -206060.3206 17624.8530 0.0000 0.0000 34119.7722 -149469.2399 297.9765 -183589.0121 -149378.1685 298.0722 -126.6055 -94.4191 557163.0725 3.6535 3.5578 PRESSURE: 1065800 18.8386 82.9451 -211.37 82.9453 90.5339 43.9083 -211.371 43.9091 53.3581 GPRESSURE: 1065800 31.243 27.1575 -256.67 47.0456 112.942 -63.6379 -139.513 48.0939 122.925 PRESSAVG: 1065800 16.0223 -47.2806 -42.5069 -47.2806 -35.2221 -8.18569 -42.5068 -8.18554 40.3704 GPRESSAVG: 1065800 16.0365 -45.5453 -43.0828 -48.8137 -34.3265 -10.725 -42.7924 -8.76555 39.5652 TIMING: 1065800 CPU: 3175.83, 0.00297902/step Wall: 3175.83, 0.00297902/step, 3.25558 hours remaining, 207.550781 MB of memory in use. ENERGY: 1065800 749.5754 2052.5267 1931.3517 117.7973 -206599.1840 17834.8989 0.0000 0.0000 34420.3158 -149492.7182 300.6012 -183913.0340 -149393.8469 299.3641 54.2436 89.0366 555424.4348 7.0569 7.0917 PRESSURE: 1066000 -296.841 -102.343 165.603 -102.343 156.375 113.659 165.603 113.659 389.603 GPRESSURE: 1066000 -232.322 -160.178 -3.46205 -76.8867 155.372 -91.7244 187.625 231.743 430.604 PRESSAVG: 1066000 -7.68946 -22.1858 -52.9862 -22.1858 2.14889 15.1962 -52.9862 15.196 26.8006 GPRESSAVG: 1066000 -7.5018 -21.928 -52.136 -18.9434 1.55285 13.3741 -52.9311 16.7575 27.5708 TIMING: 1066000 CPU: 3176.43, 0.00298542/step Wall: 3176.43, 0.00298542/step, 3.2624 hours remaining, 207.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1066000 763.2196 2095.0938 1922.9869 122.4972 -206708.6687 18229.8644 0.0000 0.0000 34147.8709 -149427.1359 298.2218 -183575.0068 -149336.8301 299.1361 83.0459 117.8850 557723.1749 7.0867 7.2073 PRESSURE: 1066200 30.7585 5.23276 -50.169 5.23338 -168.106 -65.018 -50.1688 -65.0195 -105.277 GPRESSURE: 1066200 -14.8111 -26.3555 -102.118 29.8434 -67.8926 15.4925 0.694558 -133.051 -74.9654 PRESSAVG: 1066200 43.7993 -53.9186 -33.5541 -53.9187 -55.8648 -15.1872 -33.5541 -15.1872 34.3232 GPRESSAVG: 1066200 42.8935 -53.8874 -37.2521 -54.9087 -55.7025 -14.9743 -32.0389 -16.0315 34.9923 TIMING: 1066200 CPU: 3177.02, 0.00295659/step Wall: 3177.02, 0.00295659/step, 3.23073 hours remaining, 207.550781 MB of memory in use. ENERGY: 1066200 741.9855 2099.2692 1936.0621 108.7850 -206236.7073 17736.7546 0.0000 0.0000 34214.0137 -149399.8372 298.7995 -183613.8509 -149292.9728 298.4424 -80.8748 -52.5564 557181.5294 7.4192 7.3944 PRESSURE: 1066400 145.154 -38.0101 124.961 -38.0096 -384.869 -87.5846 124.961 -87.585 -207.218 GPRESSURE: 1066400 170.239 12.827 92.7405 -53.505 -352.803 -137.041 58.7106 -40.1233 -159.363 PRESSAVG: 1066400 52.1182 -42.4342 -53.4272 -42.4341 -88.958 -8.37981 -53.4271 -8.37986 16.4577 GPRESSAVG: 1066400 53.9012 -44.067 -51.4982 -41.4087 -89.7796 -7.80405 -55.97 -8.34168 15.5099 TIMING: 1066400 CPU: 3177.62, 0.00298747/step Wall: 3177.62, 0.00298747/step, 3.26431 hours remaining, 207.550781 MB of memory in use. ENERGY: 1066400 758.6660 2025.6273 1921.5791 111.2503 -206105.8068 17602.6600 0.0000 0.0000 34075.0062 -149611.0181 297.5855 -183686.0243 -149509.5266 298.6241 -148.9777 -113.9756 557099.1297 -6.7940 -6.7895 PRESSURE: 1066600 -246.779 -2.4584 -91.4725 -2.45882 68.2273 -4.27298 -91.4717 -4.2731 268.753 GPRESSURE: 1066600 -164.85 48.2868 11.3555 -74.6289 49.1493 53.7994 -128.104 0.141283 301.231 PRESSAVG: 1066600 15.8523 -10.0228 4.65166 -10.0228 -40.6134 -15.7722 4.65165 -15.7722 36.2849 GPRESSAVG: 1066600 14.848 -10.5467 6.60277 -11.1863 -38.6219 -13.8605 4.02851 -17.3287 34.9339 TIMING: 1066600 CPU: 3178.21, 0.00297232/step Wall: 3178.21, 0.00297232/step, 3.24759 hours remaining, 207.550781 MB of memory in use. ENERGY: 1066600 746.5042 2061.3947 1938.4573 99.8564 -206372.6564 17739.8079 0.0000 0.0000 34250.6353 -149536.0008 299.1193 -183786.6361 -149435.9417 298.0212 30.0672 61.8435 555580.3833 3.8413 3.7200 PRESSURE: 1066800 -36.7093 -111.933 -108.871 -111.932 -215.503 -144.984 -108.871 -144.983 145.441 GPRESSURE: 1066800 -37.4824 -155.939 -121.95 -49.5892 -156.063 -87.3697 -126.229 -165.484 176.245 PRESSAVG: 1066800 -71.9861 -35.8434 6.1368 -35.8433 -23.5004 -4.56271 6.13685 -4.56278 72.4278 GPRESSAVG: 1066800 -71.6521 -34.731 3.89776 -37.0332 -24.9279 -5.63051 8.62669 -2.71156 73.49 TIMING: 1066800 CPU: 3178.8, 0.00296606/step Wall: 3178.8, 0.00296606/step, 3.24059 hours remaining, 207.550781 MB of memory in use. ENERGY: 1066800 771.9823 2126.5646 1905.1118 99.3994 -206405.1137 17710.7304 0.0000 0.0000 34143.2868 -149648.0384 298.1818 -183791.3251 -149551.7801 298.2451 -35.5906 -5.7669 556849.1705 -7.6862 -7.6967 PRESSURE: 1067000 -41.8435 138.934 -53.1054 138.933 -168.468 -58.8341 -53.1054 -58.8327 -361.915 GPRESSURE: 1067000 31.9315 112.118 -47.5551 136.433 -157.204 -50.5149 -19.685 -92.0778 -353.263 PRESSAVG: 1067000 -8.84534 42.6426 -13.2568 42.6425 39.7777 -1.13085 -13.2568 -1.13076 -1.2922 GPRESSAVG: 1067000 -8.7683 40.3553 -10.6581 45.1225 39.0983 -1.90343 -15.5528 -1.24137 -0.737407 TIMING: 1067000 CPU: 3179.39, 0.0029429/step Wall: 3179.39, 0.0029429/step, 3.21512 hours remaining, 207.550781 MB of memory in use. ENERGY: 1067000 741.7880 2125.0976 1908.1458 111.8783 -206458.8790 17779.7015 0.0000 0.0000 33971.9545 -149820.3133 296.6855 -183792.2679 -149718.8301 298.1710 -190.7424 -159.5118 556372.5628 9.8801 9.8642 PRESSURE: 1067200 -66.4242 -85.3916 -41.6159 -85.3917 -85.1589 36.0738 -41.6163 36.0728 -298.945 GPRESSURE: 1067200 34.8779 -41.8508 -9.8386 -67.5496 -87.5988 52.9286 -69.3841 78.6217 -301.098 PRESSAVG: 1067200 -0.119014 30.8031 18.6066 30.8031 26.4788 1.52916 18.6066 1.52905 -0.263991 GPRESSAVG: 1067200 -0.859102 33.1269 19.7346 29.0002 27.177 5.38924 20.2997 0.606903 -0.584075 TIMING: 1067200 CPU: 3179.98, 0.00293943/step Wall: 3179.98, 0.00293943/step, 3.21116 hours remaining, 207.550781 MB of memory in use. ENERGY: 1067200 750.7373 2074.5475 1929.9883 112.1062 -206093.1747 17642.6974 0.0000 0.0000 34098.2170 -149484.8810 297.7882 -183583.0980 -149389.3935 298.5198 -150.1760 -117.9396 556602.9033 8.6986 8.5779 PRESSURE: 1067400 172.71 56.2312 9.98548 56.2297 -239.176 11.5034 9.98442 11.5018 196.982 GPRESSURE: 1067400 261.691 63.6015 59.873 53.7968 -268.149 -13.3734 54.4235 68.3733 236.397 PRESSAVG: 1067400 -13.7178 6.06987 28.3601 6.06992 -18.678 36.004 28.3601 36.0041 -4.32366 GPRESSAVG: 1067400 -14.3091 5.54745 26.9868 7.31323 -18.8441 33.7242 29.6655 36.5221 -3.71244 TIMING: 1067400 CPU: 3180.57, 0.00296093/step Wall: 3180.57, 0.00296093/step, 3.23448 hours remaining, 207.550781 MB of memory in use. ENERGY: 1067400 715.0588 2108.6606 1932.0016 113.8459 -206135.2098 17661.0670 0.0000 0.0000 34129.5545 -149475.0215 298.0619 -183604.5760 -149381.2112 298.6671 43.5057 76.6465 556811.8322 -12.2398 -12.2885 PRESSURE: 1067600 67.2081 4.33053 -55.9716 4.33181 -167.765 -89.7823 -55.9701 -89.7829 185.928 GPRESSURE: 1067600 84.1041 -10.0874 -74.333 -15.0572 -85.6729 -135.984 -74.9008 -22.7092 184.56 PRESSAVG: 1067600 34.4383 61.0038 -13.7006 61.0039 -59.0462 80.6762 -13.7005 80.6761 -11.8353 GPRESSAVG: 1067600 35.002 61.3176 -16.3495 59.6369 -59.1594 79.7017 -15.1582 80.2059 -12.4645 TIMING: 1067600 CPU: 3181.16, 0.00295315/step Wall: 3181.16, 0.00295315/step, 3.22582 hours remaining, 207.550781 MB of memory in use. ENERGY: 1067600 757.3358 2096.4002 1909.7865 112.5265 -206509.5470 17996.8874 0.0000 0.0000 34066.2695 -149570.3412 297.5092 -183636.6107 -149473.8481 298.5253 28.4573 60.9972 556862.3443 -12.1478 -12.2073 PRESSURE: 1067800 -442.704 64.5423 103.295 64.5422 -43.1825 -84.9155 103.296 -84.9178 -95.7088 GPRESSURE: 1067800 -338.15 27.7447 106.109 96.4741 -48.9114 -18.0688 154.975 -99.5221 -89.1794 PRESSAVG: 1067800 -99.753 25.9794 26.1493 25.9794 32.894 16.6445 26.1493 16.6445 48.935 GPRESSAVG: 1067800 -100.301 25.2368 26.2389 26.9594 33.6005 18.3485 27.7437 17.5175 49.025 TIMING: 1067800 CPU: 3181.76, 0.00296463/step Wall: 3181.76, 0.00296463/step, 3.2382 hours remaining, 207.550781 MB of memory in use. ENERGY: 1067800 767.9877 2108.5217 1910.2237 122.0708 -206358.1695 17804.3421 0.0000 0.0000 34252.9910 -149392.0326 299.1399 -183645.0236 -149298.6261 298.4809 -193.8650 -158.7469 558399.4247 -5.9747 -5.8917 PRESSURE: 1068000 -233.693 -15.3052 -29.1919 -15.305 91.4057 30.8703 -29.1936 30.8677 -108.633 GPRESSURE: 1068000 -190.937 1.09261 -32.5148 17.3729 73.8468 56.642 -115.19 -29.4556 -42.4471 PRESSAVG: 1068000 -70.9248 -24.7323 38.4196 -24.7322 10.373 44.8244 38.4196 44.8243 52.5436 GPRESSAVG: 1068000 -70.4568 -24.4327 38.6724 -25.7795 9.91087 43.6075 36.5985 44.5309 52.2255 TIMING: 1068000 CPU: 3182.35, 0.00297068/step Wall: 3182.35, 0.00297068/step, 3.24464 hours remaining, 207.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1068000 795.5440 2154.9453 1931.8660 112.5224 -206460.9206 17874.9767 0.0000 0.0000 34199.1401 -149391.9262 298.6696 -183591.0663 -149299.5558 299.0261 -83.6402 -53.1790 555927.7003 -2.6694 -2.7735 PRESSURE: 1068200 -112.173 41.6871 52.3491 41.6871 113.792 -71.4429 52.3475 -71.4421 120.419 GPRESSURE: 1068200 -81.8598 80.3989 39.8557 95.5781 173.413 -61.591 72.7978 -112.968 130.53 PRESSAVG: 1068200 -59.1496 32.5522 13.4834 32.5522 51.511 36.8147 13.4834 36.8148 -3.23739 GPRESSAVG: 1068200 -58.8595 31.6337 14.3672 33.8527 50.3856 38.4387 13.8402 36.7492 -3.03734 TIMING: 1068200 CPU: 3182.95, 0.00299528/step Wall: 3182.95, 0.00299528/step, 3.27134 hours remaining, 207.550781 MB of memory in use. ENERGY: 1068200 758.2817 2105.6057 1935.5672 110.7551 -206818.8339 18080.3755 0.0000 0.0000 34441.5306 -149386.7182 300.7865 -183828.2488 -149291.8163 298.8801 40.6791 74.0278 557616.4388 -3.6253 -3.8371 LDB: ============= START OF LOAD BALANCING ============== 3186.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3186.5 LDB: =============== DONE WITH MIGRATION ================ 3186.5 LDB: ============= START OF LOAD BALANCING ============== 3186.8 LDB: Largest compute 4773 load 0.027753 is 23.5% of average load 0.118269 LDB: Average compute 0.001725 is 1.5% of average load 0.118269 LDB: TIME 3186.81 LOAD: AVG 0.118269 MAX 0.207154 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 3186.81 LOAD: AVG 0.118269 MAX 0.207154 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.039 MB LDB: TIME 3186.81 LOAD: AVG 0.118269 MAX 0.207154 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3186.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3186.81 PRESSURE: 1068400 -80.048 122.184 -34.1316 122.185 229.251 24.3099 -34.1323 24.3088 62.0647 GPRESSURE: 1068400 -24.9076 103.587 -69.8698 130.358 275.374 53.2283 17.953 -4.67524 67.933 PRESSAVG: 1068400 -10.3523 24.0796 -8.67066 24.0796 48.2169 50.5297 -8.67068 50.5296 13.3958 GPRESSAVG: 1068400 -11.4337 23.8991 -8.25951 24.6187 48.7135 50.0662 -7.99026 50.5278 13.7828 TIMING: 1068400 CPU: 3183.56, 0.00306515/step Wall: 3183.56, 0.00306515/step, 3.34748 hours remaining, 206.710938 MB of memory in use. ENERGY: 1068400 769.4671 2155.8460 1918.1539 116.1117 -206593.6363 18033.7169 0.0000 0.0000 34205.6893 -149394.6513 298.7268 -183600.3406 -149299.0411 299.1834 70.4226 106.1330 555492.0184 17.0868 17.0209 PRESSURE: 1068600 -21.3447 11.199 -142.39 11.2011 65.3782 147.271 -142.388 147.27 43.3509 GPRESSURE: 1068600 62.697 30.0146 -148.846 -30.126 133.155 48.3157 -123.177 203.697 6.26037 PRESSAVG: 1068600 -8.54244 23.5376 20.5305 23.5376 15.3245 17.845 20.5305 17.845 -4.79806 GPRESSAVG: 1068600 -8.09331 24.212 20.6147 20.7817 16.5758 16.1239 20.7293 18.0112 -6.10196 TIMING: 1068600 CPU: 3184.16, 0.00297508/step Wall: 3184.16, 0.00297508/step, 3.24895 hours remaining, 206.710938 MB of memory in use. ENERGY: 1068600 737.9851 2107.9385 1932.8077 111.5614 -206670.2965 18023.3209 0.0000 0.0000 34408.2611 -149348.4219 300.4959 -183756.6830 -149254.9983 299.4577 29.1282 67.3709 557349.4863 0.6613 0.7935 PRESSURE: 1068800 155.409 -56.9671 -46.3177 -56.9656 -308.826 130.405 -46.3176 130.404 116.143 GPRESSURE: 1068800 167.421 -56.5736 -87.316 -40.8635 -242.436 175.478 21.6945 122.069 120.096 PRESSAVG: 1068800 23.4316 -23.444 -11.9405 -23.4439 38.001 47.7145 -11.9404 47.7147 -54.9394 GPRESSAVG: 1068800 23.3212 -23.0681 -13.5383 -22.5438 36.2382 50.0307 -11.27 46.4919 -52.9565 TIMING: 1068800 CPU: 3184.76, 0.00299184/step Wall: 3184.76, 0.00299184/step, 3.26709 hours remaining, 206.710938 MB of memory in use. ENERGY: 1068800 786.0221 2083.4820 1964.0893 108.2583 -206099.3402 17714.2217 0.0000 0.0000 34221.0449 -149222.2219 298.8609 -183443.2668 -149125.8326 299.2996 -12.4247 15.0268 556427.8921 2.1644 2.2010 PRESSURE: 1069000 46.9755 -1.74716 -10.501 -1.74701 -235.126 147.562 -10.5009 147.56 -129.72 GPRESSURE: 1069000 121.136 -3.32869 -35.551 49.4977 -189.141 252.649 -24.463 82.8224 -150.605 PRESSAVG: 1069000 43.7787 15.7308 -46.2432 15.7307 -66.5192 60.6636 -46.2432 60.6636 60.3283 GPRESSAVG: 1069000 43.8712 16.4047 -45.498 13.7418 -65.6368 61.6541 -46.6782 59.9418 59.238 TIMING: 1069000 CPU: 3185.36, 0.00302342/step Wall: 3185.36, 0.00302342/step, 3.30141 hours remaining, 206.710938 MB of memory in use. ENERGY: 1069000 778.1612 2040.1162 1948.6465 116.5908 -206387.4296 17822.3169 0.0000 0.0000 34349.7663 -149331.8317 299.9851 -183681.5980 -149235.1685 299.5024 -105.9566 -72.8703 557369.9837 12.5293 12.4908 PRESSURE: 1069200 18.6364 36.148 -85.0703 36.1465 228.484 100.704 -85.0688 100.703 225.198 GPRESSURE: 1069200 45.2385 64.1907 -72.4108 35.4368 231.155 56.8756 -71.5973 75.2495 288.021 PRESSAVG: 1069200 -3.10826 30.8935 -51.308 30.8935 -1.84494 -11.1798 -51.308 -11.18 -6.11087 GPRESSAVG: 1069200 -2.46666 31.7398 -50.3599 31.8058 -1.00655 -11.1261 -51.9551 -9.43844 -7.84184 TIMING: 1069200 CPU: 3185.96, 0.00301108/step Wall: 3185.96, 0.00301108/step, 3.28777 hours remaining, 206.710938 MB of memory in use. ENERGY: 1069200 774.1761 2118.8641 1935.1933 103.1234 -206496.2870 18009.0937 0.0000 0.0000 34197.5159 -149358.3205 298.6554 -183555.8363 -149262.5337 299.6139 157.4396 188.1382 553997.7787 -3.6880 -3.7717 PRESSURE: 1069400 -128.027 6.78281 -59.2539 6.78176 -132.358 -22.9163 -59.2539 -22.9167 31.2102 GPRESSURE: 1069400 -150.43 -33.6412 -103.17 52.6023 -86.6202 -50.1729 -66.3267 -21.8448 105.604 PRESSAVG: 1069400 -49.8639 40.5439 -50.2286 40.5439 3.58906 4.24086 -50.2286 4.24084 29.5751 GPRESSAVG: 1069400 -49.9189 40.9763 -50.1755 39.7165 2.87621 2.09799 -48.6149 3.61069 30.1536 TIMING: 1069400 CPU: 3186.56, 0.0029922/step Wall: 3186.56, 0.0029922/step, 3.26699 hours remaining, 206.710938 MB of memory in use. ENERGY: 1069400 742.1631 2166.8673 1952.9095 109.9104 -205894.2628 17549.4266 0.0000 0.0000 34023.3308 -149349.6550 297.1342 -183372.9858 -149255.5473 298.6320 -76.3916 -43.8155 556986.6100 -5.5666 -5.6297 PRESSURE: 1069600 -71.2085 48.622 19.9281 48.6213 -91.9318 -109.714 19.9285 -109.715 198.143 GPRESSURE: 1069600 -1.47153 90.2599 45.0599 -32.5206 -68.2747 -92.1627 -2.46059 -163.33 206.995 PRESSAVG: 1069600 4.94194 3.92938 -16.862 3.92938 -12.5464 -26.0429 -16.862 -26.043 26.7473 GPRESSAVG: 1069600 4.22364 -0.575059 -15.7192 3.86418 -11.6757 -25.4174 -18.4335 -27.9019 26.7257 TIMING: 1069600 CPU: 3187.16, 0.00298071/step Wall: 3187.16, 0.00298071/step, 3.25427 hours remaining, 206.710938 MB of memory in use. ENERGY: 1069600 755.7273 2089.8538 1932.8090 107.7071 -206274.3739 17774.9943 0.0000 0.0000 34300.2547 -149313.0278 299.5527 -183613.2825 -149226.4597 298.8617 11.6676 45.7495 556081.8628 6.3810 6.4245 PRESSURE: 1069800 192.644 -145.365 -13.1193 -145.365 65.8939 113.763 -13.1205 113.763 19.8995 GPRESSURE: 1069800 195.173 -97.5791 -51.9994 -136.859 133.696 146.657 43.2363 143.033 63.8796 PRESSAVG: 1069800 5.59714 19.3809 6.88754 19.3808 -29.0722 24.9601 6.88756 24.9602 46.356 GPRESSAVG: 1069800 5.77448 21.4104 3.78848 19.3916 -29.4788 26.3569 7.93009 25.0409 46.7036 TIMING: 1069800 CPU: 3187.75, 0.00298272/step Wall: 3187.75, 0.00298272/step, 3.2563 hours remaining, 206.914062 MB of memory in use. ENERGY: 1069800 743.8444 2072.2180 1929.3446 117.8363 -206081.5048 17825.7284 0.0000 0.0000 34052.8765 -149339.6566 297.3922 -183392.5331 -149235.2109 298.5880 92.8125 130.9160 557056.9521 7.6270 7.6664 PRESSURE: 1070000 90.5661 286.744 -27.144 286.743 128.886 -120.099 -27.1439 -120.1 12.8523 GPRESSURE: 1070000 97.3831 272.708 8.95924 248.838 151.192 -133.301 -92.3199 -95.1262 90.9692 PRESSAVG: 1070000 2.05358 -21.1011 -5.36972 -21.1011 2.66541 46.281 -5.36979 46.2809 8.40709 GPRESSAVG: 1070000 2.30816 -21.3654 -3.57787 -20.323 3.18139 44.2038 -6.77206 47.7767 7.21779 TIMING: 1070000 CPU: 3188.35, 0.00299071/step Wall: 3188.35, 0.00299071/step, 3.26486 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1070000 733.9301 2049.4211 1925.4675 108.7070 -206422.5465 17929.8002 0.0000 0.0000 34305.0627 -149370.1579 299.5946 -183675.2206 -149271.1644 298.9372 77.4348 113.1814 557745.8003 4.3754 4.2358 PRESSURE: 1070200 40.4795 66.316 -68.3072 66.3155 69.6878 56.9288 -68.3076 56.928 -71.2894 GPRESSURE: 1070200 100.507 72.7397 -99.4231 -22.7178 60.3174 60.617 -11.7534 -7.28368 -14.2812 PRESSAVG: 1070200 40.7026 26.4481 6.81463 26.4481 -0.399091 27.2435 6.81479 27.2435 -50.2613 GPRESSAVG: 1070200 40.1079 28.2816 8.52752 26.3812 -1.80122 28.423 6.81212 27.297 -48.3149 TIMING: 1070200 CPU: 3188.95, 0.00298201/step Wall: 3188.95, 0.00298201/step, 3.2552 hours remaining, 206.914062 MB of memory in use. ENERGY: 1070200 752.0250 2072.6919 1909.4345 113.4862 -206245.7427 17922.3808 0.0000 0.0000 34062.8782 -149412.8462 297.4796 -183475.7244 -149321.8455 298.6911 12.9593 48.8479 559298.5960 -3.3192 -3.3361 PRESSURE: 1070400 -49.7429 -68.453 -79.473 -68.4548 152.931 -55.7449 -79.4737 -55.7466 121.857 GPRESSURE: 1070400 6.96917 -53.7794 -73.75 -80.7913 157.692 -84.3402 -103.196 -61.9754 164.828 PRESSAVG: 1070400 0.746804 6.86583 14.3636 6.86582 39.6463 -8.37336 14.3636 -8.37338 -42.1506 GPRESSAVG: 1070400 2.64569 4.33227 11.1887 8.15498 39.3097 -6.95628 16.8769 -9.64354 -43.8339 TIMING: 1070400 CPU: 3189.54, 0.00297146/step Wall: 3189.54, 0.00297146/step, 3.24352 hours remaining, 206.914062 MB of memory in use. ENERGY: 1070400 764.7886 2092.1057 1936.8886 110.4630 -206663.5880 18128.4978 0.0000 0.0000 34123.3916 -149507.4528 298.0081 -183630.8444 -149410.0950 297.9036 75.0152 109.8298 557677.3328 -0.5858 -0.6262 PRESSURE: 1070600 -39.7875 63.5358 -30.7024 63.535 143.346 1.18525 -30.7018 1.18528 -168.789 GPRESSURE: 1070600 -87.0055 68.3502 -4.93652 22.2361 209.322 -46.9258 8.62688 11.453 -100.007 PRESSAVG: 1070600 37.0664 66.0593 14.9225 66.0594 -9.07923 -39.265 14.9224 -39.2648 -46.9102 GPRESSAVG: 1070600 35.3789 66.953 14.1638 66.73 -9.09944 -40.1917 13.7497 -38.7424 -45.3619 TIMING: 1070600 CPU: 3190.15, 0.00302154/step Wall: 3190.15, 0.00302154/step, 3.29801 hours remaining, 206.914062 MB of memory in use. ENERGY: 1070600 751.4451 2087.9033 1934.9472 101.4626 -206111.5132 17716.5160 0.0000 0.0000 34043.8371 -149475.4020 297.3133 -183519.2391 -149377.1278 298.3060 -21.7437 7.4367 557689.3396 -6.3077 -6.3608 PRESSURE: 1070800 -81.5257 -100.026 -54.4539 -100.026 -143.429 -65.6134 -54.4539 -65.6147 -188.458 GPRESSURE: 1070800 -92.5952 -72.9515 8.89765 -10.4504 -100.86 -96.8322 -110.967 -1.78041 -133.447 PRESSAVG: 1070800 -16.8067 17.8977 -1.75067 17.8978 -9.24122 0.30004 -1.7507 0.299996 -18.4807 GPRESSAVG: 1070800 -18.2272 19.9534 0.518763 15.8598 -7.54263 -2.15486 -2.81853 3.74346 -18.9437 TIMING: 1070800 CPU: 3190.75, 0.00300329/step Wall: 3190.75, 0.00300329/step, 3.27793 hours remaining, 206.914062 MB of memory in use. ENERGY: 1070800 766.4040 2102.1227 1942.4369 103.9698 -206215.8556 17636.3829 0.0000 0.0000 34213.9092 -149450.6301 298.7986 -183664.5393 -149356.3813 298.4717 -137.8040 -108.9676 555872.7035 -14.8429 -14.9045 PRESSURE: 1071000 -58.8619 206.416 -100.459 206.416 61.5169 -59.3294 -100.458 -59.3294 113.023 GPRESSURE: 1071000 -20.0693 165.978 -103.233 265.044 66.8092 -77.3803 -71.2829 -21.9349 176.427 PRESSAVG: 1071000 7.91437 -13.0394 41.1585 -13.0395 -20.5118 26.9974 41.1585 26.9973 22.0343 GPRESSAVG: 1071000 10.5976 -13.8334 38.339 -14.2572 -21.5252 28.4278 42.2444 23.2319 20.4992 TIMING: 1071000 CPU: 3191.34, 0.00297924/step Wall: 3191.34, 0.00297924/step, 3.25151 hours remaining, 206.914062 MB of memory in use. ENERGY: 1071000 703.3050 2083.2334 1950.8979 105.1182 -206241.0515 17806.6726 0.0000 0.0000 34019.1670 -149572.6574 297.0978 -183591.8244 -149483.6278 298.0278 38.5592 74.3889 556221.2759 3.1456 3.1906 PRESSURE: 1071200 -182.052 148.747 -88.9152 148.747 -24.1469 -87.8945 -88.9153 -87.8956 -4.41427 GPRESSURE: 1071200 -120.638 53.7128 -83.6207 199.056 17.9689 -42.6596 -133.045 -38.6959 1.07458 PRESSAVG: 1071200 -68.7946 71.2504 -0.800914 71.2504 41.2882 -45.3032 -0.800838 -45.3033 26.6106 GPRESSAVG: 1071200 -69.7634 70.8034 2.02193 71.4436 41.48 -43.0618 -2.1873 -43.653 26.7594 TIMING: 1071200 CPU: 3191.94, 0.00299077/step Wall: 3191.94, 0.00299077/step, 3.26393 hours remaining, 206.914062 MB of memory in use. ENERGY: 1071200 718.8664 2126.1047 1946.5869 118.8144 -206500.5243 17817.5773 0.0000 0.0000 34171.7116 -149600.8629 298.4301 -183772.5745 -149508.6487 297.9475 -70.2045 -33.8649 557361.8960 -0.2986 -0.5080 PRESSURE: 1071400 -150.733 44.7422 330.292 44.741 40.5237 -158.621 330.292 -158.622 -100.483 GPRESSURE: 1071400 -103.938 41.146 227.828 18.5523 67.4814 -217.772 429.485 -105.532 -76.4449 PRESSAVG: 1071400 -6.12261 10.0421 48.5542 10.0421 16.4842 -18.4465 48.5541 -18.4465 -59.4245 GPRESSAVG: 1071400 -5.56766 8.10716 46.7597 10.975 15.8093 -20.2029 51.1689 -18.7243 -58.7168 TIMING: 1071400 CPU: 3192.54, 0.00299084/step Wall: 3192.54, 0.00299084/step, 3.26384 hours remaining, 206.914062 MB of memory in use. ENERGY: 1071400 747.6155 2132.6762 1929.7064 118.5882 -206582.7149 17737.4981 0.0000 0.0000 34344.9532 -149571.6773 299.9430 -183916.6305 -149476.3747 298.7684 -70.2305 -37.6339 555900.2914 -16.3543 -16.1584 PRESSURE: 1071600 8.26181 -81.7145 107.077 -81.7149 86.9639 -114.369 107.077 -114.368 152.779 GPRESSURE: 1071600 52.6567 -17.474 78.6663 -20.5786 121.533 -168.142 166.408 -206.198 168.478 PRESSAVG: 1071600 10.8325 -30.4878 96.0173 -30.4878 -27.1014 -30.6504 96.0174 -30.6505 78.5503 GPRESSAVG: 1071600 9.93287 -27.8849 96.0173 -31.5167 -25.6809 -29.779 92.1697 -31.3389 78.2967 TIMING: 1071600 CPU: 3193.14, 0.002983/step Wall: 3193.14, 0.002983/step, 3.25511 hours remaining, 206.914062 MB of memory in use. ENERGY: 1071600 753.2457 2060.0395 1916.9038 114.6209 -206768.4398 18061.7682 0.0000 0.0000 34318.3123 -149543.5494 299.7104 -183861.8617 -149449.4115 298.9065 82.6684 114.2225 555768.4729 20.7605 20.8496 PRESSURE: 1071800 156.052 -126.271 -133.767 -126.27 -89.87 46.7719 -133.768 46.7724 -58.7384 GPRESSURE: 1071800 235.667 -111.304 -107.397 -73.6391 -68.3091 28.8704 -115.767 113.543 -63.0774 PRESSAVG: 1071800 -73.4589 34.068 35.4511 34.0679 49.7891 7.1637 35.4512 7.16368 10.6106 GPRESSAVG: 1071800 -73.7578 30.9725 35.1845 36.2284 50.2186 8.75616 38.0221 5.59828 10.5369 TIMING: 1071800 CPU: 3193.73, 0.00297136/step Wall: 3193.73, 0.00297136/step, 3.24225 hours remaining, 206.914062 MB of memory in use. ENERGY: 1071800 760.3578 2049.9889 1920.6281 103.1419 -206304.3236 17813.0931 0.0000 0.0000 34259.7702 -149397.3436 299.1991 -183657.1138 -149304.4688 298.4910 2.4813 34.7603 555819.8965 -4.3531 -4.3341 PRESSURE: 1072000 -58.4195 94.3853 -35.2668 94.3853 64.9791 -109.374 -35.2675 -109.374 -5.84019 GPRESSURE: 1072000 -80.7742 5.43091 0.327511 3.79259 130.725 -89.7126 -41.7056 -71.627 55.6093 PRESSAVG: 1072000 -53.63 -7.28996 3.38535 -7.2899 10.1396 -8.12802 3.38539 -8.12801 -0.0385912 GPRESSAVG: 1072000 -54.2194 -4.78634 3.45814 -8.22272 9.13497 -10.3076 3.7653 -6.70088 1.0001 TIMING: 1072000 CPU: 3194.33, 0.00299291/step Wall: 3194.33, 0.0029929/step, 3.26559 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1072000 734.6286 2134.6430 1907.9342 104.9061 -206676.7421 17874.9873 0.0000 0.0000 34244.3606 -149675.2823 299.0645 -183919.6428 -149579.6938 298.8213 0.2398 35.1868 557582.0709 -14.5097 -14.6948 PRESSURE: 1072200 61.2771 -158.911 80.2537 -158.91 -174.495 58.6688 80.253 58.6652 -460.9 GPRESSURE: 1072200 136.072 -99.8119 82.2436 -281.85 -158.59 19.162 12.8742 26.9326 -431.316 PRESSAVG: 1072200 -19.6011 -23.0913 26.1927 -23.0914 4.23929 60.2773 26.1927 60.2773 -14.7991 GPRESSAVG: 1072200 -17.2514 -22.8614 26.1492 -24.4208 3.50758 61.7952 25.7605 59.0768 -16.115 TIMING: 1072200 CPU: 3194.93, 0.00299435/step Wall: 3194.93, 0.00299435/step, 3.267 hours remaining, 206.914062 MB of memory in use. ENERGY: 1072200 750.2531 2084.4172 1922.1561 107.5357 -206024.3138 17478.1146 0.0000 0.0000 34234.9483 -149446.8888 298.9823 -183681.8371 -149358.4814 298.8045 -191.3725 -151.2781 556721.0369 -10.0536 -9.9530 LDB: ============= START OF LOAD BALANCING ============== 3198.48 LDB: ============== END OF LOAD BALANCING =============== 3198.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3198.48 LDB: ============= START OF LOAD BALANCING ============== 3198.78 LDB: Largest compute 4773 load 0.027004 is 22.9% of average load 0.118167 LDB: Average compute 0.001721 is 1.5% of average load 0.118167 LDB: TIME 3198.78 LOAD: AVG 0.118167 MAX 0.207029 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 3198.78 LOAD: AVG 0.118167 MAX 0.207029 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.91 MB LDB: TIME 3198.78 LOAD: AVG 0.118167 MAX 0.207029 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.91 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3198.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3198.79 PRESSURE: 1072400 -40.0507 -153.848 -51.0947 -153.848 -234.432 37.0605 -51.0956 37.0606 -100.965 GPRESSURE: 1072400 27.4142 -121.601 62.5297 -144.569 -174.866 42.0047 -107.685 79.0954 -129.633 PRESSAVG: 1072400 44.8813 -4.41467 10.2879 -4.41467 -32.6358 93.059 10.2879 93.0589 -67.7845 GPRESSAVG: 1072400 43.7105 -4.03019 11.3906 -3.54108 -31.7202 90.9397 8.73961 95.0064 -67.481 TIMING: 1072400 CPU: 3195.54, 0.00303233/step Wall: 3195.54, 0.00303233/step, 3.30827 hours remaining, 207.222656 MB of memory in use. ENERGY: 1072400 744.9393 2076.0203 1931.9523 121.7998 -206295.6337 17606.9701 0.0000 0.0000 34451.3926 -149362.5593 300.8726 -183813.9519 -149266.0002 298.9826 -125.1493 -92.3616 556330.0432 -18.5130 -18.4969 PRESSURE: 1072600 -24.1792 -10.9916 -54.0793 -10.9904 -287.572 17.2399 -54.0798 17.2366 -205.515 GPRESSURE: 1072600 37.6468 -54.7445 -73.9217 51.9188 -313.233 -86.6209 -35.2538 29.6497 -142.94 PRESSAVG: 1072600 60.6311 -44.024 8.93033 -44.024 -43.6974 48.358 8.93034 48.3581 30.7703 GPRESSAVG: 1072600 60.3876 -45.8989 7.7894 -44.2799 -43.3538 49.582 8.90338 47.7534 31.3141 TIMING: 1072600 CPU: 3196.13, 0.00298471/step Wall: 3196.13, 0.00298471/step, 3.25616 hours remaining, 207.425781 MB of memory in use. ENERGY: 1072600 706.8761 2063.1775 1945.3703 106.3885 -205923.1647 17503.1963 0.0000 0.0000 34277.1440 -149321.0119 299.3508 -183598.1559 -149220.0947 298.7703 -172.4222 -139.5087 558286.4324 15.9013 16.1160 PRESSURE: 1072800 96.5901 -78.4624 -41.786 -78.4618 -127.684 -38.4242 -41.7864 -38.425 -104.775 GPRESSURE: 1072800 106.464 -43.1826 -72.1455 -58.1983 -120.853 51.7774 -69.5532 -112.13 -14.6912 PRESSAVG: 1072800 -41.4863 -2.61788 -26.9985 -2.61789 -20.4023 33.166 -26.9984 33.1659 38.5231 GPRESSAVG: 1072800 -42.5076 -2.95919 -26.7524 -1.93687 -20.3284 33.591 -26.1323 32.4352 39.6015 TIMING: 1072800 CPU: 3196.73, 0.00297408/step Wall: 3196.73, 0.00297408/step, 3.2444 hours remaining, 207.425781 MB of memory in use. ENERGY: 1072800 772.0933 2069.2067 1931.0268 119.0220 -206440.8506 17915.5035 0.0000 0.0000 34266.6890 -149367.3093 299.2595 -183633.9983 -149268.3547 298.8300 -45.2896 -9.6934 558161.8920 -7.7885 -7.7448 PRESSURE: 1073000 -71.35 -0.871744 -165.664 -0.872211 -44.266 -124.877 -165.664 -124.878 4.22811 GPRESSURE: 1073000 -12.6801 -66.558 -132.101 45.7019 -29.6755 -96.1677 -200.396 -72.7708 41.147 PRESSAVG: 1073000 -44.8484 -77.3695 -25.3423 -77.3695 -8.11935 4.85901 -25.3424 4.85905 73.585 GPRESSAVG: 1073000 -44.1706 -75.3483 -26.9763 -79.0094 -7.41029 4.07605 -24.3307 5.49755 71.9641 TIMING: 1073000 CPU: 3197.32, 0.00296414/step Wall: 3197.32, 0.00296414/step, 3.23338 hours remaining, 207.425781 MB of memory in use. ENERGY: 1073000 744.3505 2034.6491 1933.8171 115.7310 -206084.8740 17699.4751 0.0000 0.0000 34158.9543 -149397.8970 298.3186 -183556.8512 -149294.6030 298.8812 -37.1293 -0.4028 557042.5180 6.8724 6.7944 PRESSURE: 1073200 -122.252 -37.7858 46.6559 -37.7854 -103.774 -126.279 46.6551 -126.28 -79.5697 GPRESSURE: 1073200 -105.169 3.50116 54.244 29.1881 -64.7066 -181.296 -0.145016 -94.6045 -49.266 PRESSAVG: 1073200 22.2355 -50.669 -94.2109 -50.669 -54.9242 -12.2008 -94.2109 -12.201 38.7233 GPRESSAVG: 1073200 22.8356 -50.9874 -93.8728 -49.7474 -55.4493 -12.7964 -93.4464 -10.5528 38.3809 TIMING: 1073200 CPU: 3197.91, 0.00295196/step Wall: 3197.91, 0.00295196/step, 3.21993 hours remaining, 207.425781 MB of memory in use. ENERGY: 1073200 726.2830 2095.2247 1901.6610 102.5377 -206427.5561 17727.7081 0.0000 0.0000 34374.4836 -149499.6579 300.2009 -183874.1415 -149406.7847 298.7774 -101.8652 -73.0471 557701.0712 2.0115 1.9224 PRESSURE: 1073400 -102.7 49.2825 117.468 49.2824 -85.8999 27.7072 117.466 27.7077 -181.2 GPRESSURE: 1073400 -79.0766 14.0179 70.1621 123.805 -57.4125 106.941 78.8671 7.6266 -138.213 PRESSAVG: 1073400 -12.2506 14.4472 -13.3908 14.4471 69.4714 -19.9828 -13.3908 -19.9827 -56.8355 GPRESSAVG: 1073400 -11.9402 12.8492 -12.0194 14.6236 68.9551 -18.8071 -17.1762 -21.1343 -56.5966 TIMING: 1073400 CPU: 3198.5, 0.00296265/step Wall: 3198.5, 0.00296265/step, 3.23142 hours remaining, 207.425781 MB of memory in use. ENERGY: 1073400 741.1343 2095.4822 1926.6593 109.7689 -206308.1723 17751.1609 0.0000 0.0000 34120.1472 -149563.8196 297.9797 -183683.9667 -149468.8245 298.3816 -123.2667 -91.5675 558166.6629 0.1284 0.1394 PRESSURE: 1073600 -198.879 -237.208 116.226 -237.208 30.2406 22.1035 116.227 22.1021 -79.2959 GPRESSURE: 1073600 -215.194 -358.518 183.775 -233.276 108.298 -79.4199 72.0418 -25.2354 -30.569 PRESSAVG: 1073600 -7.84109 -30.195 9.29339 -30.195 47.5872 -41.296 9.29349 -41.296 -32.5152 GPRESSAVG: 1073600 -9.12749 -28.6559 9.81937 -30.3086 48.4748 -41.0266 12.1917 -40.9587 -31.8363 TIMING: 1073600 CPU: 3199.1, 0.00297415/step Wall: 3199.1, 0.00297415/step, 3.24381 hours remaining, 207.425781 MB of memory in use. ENERGY: 1073600 747.5420 2098.9712 1947.0931 107.8698 -206297.3043 17839.6275 0.0000 0.0000 33952.7846 -149603.4160 296.5181 -183556.2006 -149511.9793 298.0431 -82.6449 -45.8218 558083.4130 2.4103 2.5036 PRESSURE: 1073800 212.673 -89.4786 31.8916 -89.478 -8.1387 77.7455 31.8916 77.7458 -15.9322 GPRESSURE: 1073800 236.566 -134.257 55.8764 -151.12 2.55621 36.4627 0.958541 112.298 48.385 PRESSAVG: 1073800 29.2286 11.2644 -6.76981 11.2644 50.3532 19.5678 -6.76968 19.5678 -37.3299 GPRESSAVG: 1073800 29.4708 9.25742 -8.33008 11.9062 49.632 16.9261 -8.21615 20.4128 -36.5024 TIMING: 1073800 CPU: 3199.69, 0.00297817/step Wall: 3199.69, 0.00297817/step, 3.24803 hours remaining, 207.425781 MB of memory in use. ENERGY: 1073800 738.8767 2065.5707 1926.6618 107.9905 -206505.7480 17933.4343 0.0000 0.0000 34222.8454 -149510.3686 298.8766 -183733.2141 -149410.5676 297.9041 62.8673 95.8358 556465.6417 14.0840 14.2001 PRESSURE: 1074000 147.681 -97.1276 129.16 -97.1279 -171.173 -101.878 129.158 -101.878 -34.4227 GPRESSURE: 1074000 170.751 -137.067 131.676 68.1501 -177.876 -84.9899 172.206 -107.774 54.3891 PRESSAVG: 1074000 -5.83449 1.09913 -14.4641 1.09909 37.7184 52.4371 -14.4641 52.4371 -74.2476 GPRESSAVG: 1074000 -4.48472 1.42109 -15.8278 0.59753 37.7391 52.5837 -11.5291 50.2768 -75.4261 TIMING: 1074000 CPU: 3200.29, 0.00296348/step Wall: 3200.29, 0.00296348/step, 3.23184 hours remaining, 207.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1074000 716.2971 2064.0649 1931.4732 106.5106 -206121.0195 17773.5772 0.0000 0.0000 33965.8209 -149563.2757 296.6320 -183529.0965 -149464.7599 298.1636 -19.3051 15.7545 558478.1955 -14.1212 -14.0573 PRESSURE: 1074200 -1.70753 42.9765 318.478 42.9763 96.8369 122.939 318.477 122.938 -11.708 GPRESSURE: 1074200 25.5623 12.3094 306.503 -28.7639 154.46 48.5452 282.121 144.939 8.58222 PRESSAVG: 1074200 -38.8137 -18.2424 38.8865 -18.2424 33.8839 15.5296 38.8865 15.5296 -17.1733 GPRESSAVG: 1074200 -39.8856 -18.8229 39.8982 -16.8144 33.6482 16.7371 36.2108 15.9275 -16.2713 TIMING: 1074200 CPU: 3200.88, 0.00298615/step Wall: 3200.88, 0.00298615/step, 3.25639 hours remaining, 207.425781 MB of memory in use. ENERGY: 1074200 694.7388 2077.4050 1904.4871 114.6085 -206478.6691 17939.2792 0.0000 0.0000 34249.5576 -149498.5930 299.1099 -183748.1505 -149407.4446 298.5889 27.8071 62.8682 556924.9733 -7.3677 -7.5029 PRESSURE: 1074400 20.4706 -44.361 100.354 -44.3614 44.5292 -179.549 100.353 -179.548 -90.1718 GPRESSURE: 1074400 34.0548 -48.9557 104.055 -6.38006 74.9958 -302.678 74.3835 -166.02 -28.7648 PRESSAVG: 1074400 0.760772 52.9701 81.2294 52.97 48.9589 12.362 81.2295 12.3621 -6.77438 GPRESSAVG: 1074400 0.389051 53.6587 81.7203 53.1962 49.8363 9.59912 80.1737 13.7617 -7.06012 TIMING: 1074400 CPU: 3201.48, 0.00298587/step Wall: 3201.48, 0.00298587/step, 3.25593 hours remaining, 207.425781 MB of memory in use. ENERGY: 1074400 733.9692 2109.6042 1880.9765 114.0843 -205994.7422 17779.5133 0.0000 0.0000 34081.4935 -149295.1012 297.6422 -183376.5947 -149201.2930 299.7962 -8.3907 26.7619 556654.2512 14.3151 14.3884 PRESSURE: 1074600 -161.905 -183.333 -100.643 -183.333 207.064 -24.5198 -100.643 -24.5206 104.889 GPRESSURE: 1074600 -75.2105 -142.169 -101.518 -201.77 207.561 -67.1644 -151.613 17.7702 100.094 PRESSAVG: 1074600 16.692 46.1588 -2.65229 46.1587 42.4418 -4.34781 -2.65233 -4.34786 -56.0395 GPRESSAVG: 1074600 17.8003 46.4419 -2.63863 45.1528 41.9638 -3.80127 -1.27302 -5.15504 -57.3018 TIMING: 1074600 CPU: 3202.08, 0.00297426/step Wall: 3202.08, 0.00297426/step, 3.2431 hours remaining, 207.425781 MB of memory in use. ENERGY: 1074600 766.4198 2008.6984 1898.3882 115.7665 -206278.7285 17805.5792 0.0000 0.0000 34381.1889 -149302.6876 300.2595 -183683.8764 -149204.7907 299.5939 50.0161 77.4817 555690.8387 1.0314 0.8207 PRESSURE: 1074800 -70.7795 14.2651 87.6887 14.266 109.956 -244.808 87.6884 -244.808 -161.109 GPRESSURE: 1074800 -23.6647 81.3764 92.1916 -0.90919 134.075 -259.685 158.273 -229.417 -124.064 PRESSAVG: 1074800 26.084 97.1923 14.4144 97.1924 -13.024 -26.5398 14.4145 -26.5399 -18.8236 GPRESSAVG: 1074800 24.4655 97.0609 14.8147 98.1797 -12.7163 -25.2523 12.6532 -25.1982 -17.5447 TIMING: 1074800 CPU: 3202.67, 0.00296479/step Wall: 3202.67, 0.00296479/step, 3.23261 hours remaining, 207.425781 MB of memory in use. ENERGY: 1074800 742.5356 2086.3804 1895.3401 100.0492 -206160.3159 17627.6951 0.0000 0.0000 34303.4203 -149404.8952 299.5803 -183708.3156 -149309.8177 299.2866 -40.6444 -4.5511 556754.3182 -1.9212 -1.9319 PRESSURE: 1075000 -228.065 -175.081 -80.5 -175.081 -92.0409 7.01745 -80.4999 7.01674 -106.574 GPRESSURE: 1075000 -241.193 -204.289 -177.863 -179.171 -19.543 -72.1712 -82.979 69.3067 -59.1074 PRESSAVG: 1075000 -37.3074 23.9663 12.5715 23.9663 1.47893 4.05815 12.5715 4.05818 20.2964 GPRESSAVG: 1075000 -36.6807 26.1268 10.6784 22.3753 1.62292 4.57364 15.7994 1.11698 19.9357 TIMING: 1075000 CPU: 3203.26, 0.00297705/step Wall: 3203.26, 0.00297705/step, 3.24581 hours remaining, 207.425781 MB of memory in use. ENERGY: 1075000 734.3147 2096.2490 1929.7846 103.7163 -205990.5465 17505.8449 0.0000 0.0000 34288.9058 -149331.7313 299.4535 -183620.6371 -149231.2981 298.8472 -142.2265 -106.6144 557819.8241 -5.1774 -5.0407 PRESSURE: 1075200 174.516 -145.702 91.918 -145.7 -148.009 97.3479 91.9181 97.3474 -245.78 GPRESSURE: 1075200 157.624 -143.87 105.828 -150.778 -99.8453 101.28 102.917 57.7006 -176.466 PRESSAVG: 1075200 22.1597 -21.9143 68.1925 -21.9143 30.0881 38.4118 68.1924 38.4118 -79.785 GPRESSAVG: 1075200 21.9627 -23.7962 68.8584 -21.467 29.0314 39.7262 65.1211 39.6416 -78.7607 TIMING: 1075200 CPU: 3203.85, 0.00295366/step Wall: 3203.85, 0.00295366/step, 3.22014 hours remaining, 207.425781 MB of memory in use. ENERGY: 1075200 741.0394 2102.7551 1919.9610 114.3805 -206023.1172 17685.7357 0.0000 0.0000 34249.4173 -149209.8283 299.1087 -183459.2456 -149120.5178 299.1995 -73.0912 -39.5624 558087.3423 -9.1791 -9.2555 PRESSURE: 1075400 -60.7968 10.4597 162.633 10.4597 71.898 -13.5677 162.634 -13.5674 -134.841 GPRESSURE: 1075400 -42.2145 49.0931 145.984 34.2059 54.2527 26.6031 175.583 -21.3062 -37.4153 PRESSAVG: 1075400 44.7312 -30.8724 62.28 -30.8723 18.9878 -9.32696 62.28 -9.32704 -108.875 GPRESSAVG: 1075400 44.8311 -29.1926 62.1789 -30.9546 18.9391 -10.4094 64.2959 -10.2468 -109.322 TIMING: 1075400 CPU: 3204.45, 0.0029671/step Wall: 3204.45, 0.0029671/step, 3.23463 hours remaining, 207.425781 MB of memory in use. ENERGY: 1075400 704.1312 2093.3031 1913.8985 122.5393 -206293.8926 17816.4044 0.0000 0.0000 34270.3693 -149373.2468 299.2917 -183643.6162 -149283.3772 299.5642 -41.2467 -8.4590 558552.4958 -15.0520 -15.1840 PRESSURE: 1075600 106.084 -97.36 80.0894 -97.3586 29.8654 -108.954 80.0899 -108.955 -274.231 GPRESSURE: 1075600 130.226 -116.241 88.2099 -33.4528 75.8843 -105.216 39.2939 -119.459 -259.231 PRESSAVG: 1075600 32.317 20.3043 -5.64657 20.3043 37.339 -5.66299 -5.64647 -5.66289 -29.6506 GPRESSAVG: 1075600 31.1727 19.6421 -5.08723 19.8291 38.9069 -7.66631 -4.88252 -3.39675 -29.8393 TIMING: 1075600 CPU: 3205.05, 0.00298866/step Wall: 3205.05, 0.00298866/step, 3.25797 hours remaining, 207.425781 MB of memory in use. ENERGY: 1075600 756.4672 2083.6706 1893.5022 120.3007 -206248.3263 17828.7296 0.0000 0.0000 34131.0060 -149434.6501 298.0746 -183565.6561 -149336.1017 298.6275 -46.0937 -17.7071 557500.9528 13.3351 13.4134 PRESSURE: 1075800 185.754 -50.4389 4.48517 -50.4392 21.0425 28.3402 4.48437 28.3387 157.617 GPRESSURE: 1075800 222.282 -51.9058 -122.368 -131.615 51.6266 1.71711 73.1533 43.1054 182.314 PRESSAVG: 1075800 22.9172 42.2991 -29.0632 42.2991 -39.4574 -1.32925 -29.0633 -1.32934 10.1148 GPRESSAVG: 1075800 23.5108 41.6579 -31.4252 42.0882 -40.1619 1.2439 -28.3467 -2.08485 10.6553 TIMING: 1075800 CPU: 3205.64, 0.00299724/step Wall: 3205.64, 0.00299724/step, 3.26716 hours remaining, 207.425781 MB of memory in use. ENERGY: 1075800 756.3762 2054.2596 1936.0875 118.4691 -206479.0749 17929.7668 0.0000 0.0000 34474.1096 -149210.0060 301.0710 -183684.1157 -149122.5171 299.2484 121.4712 152.0744 556106.0448 -2.1418 -1.9986 PRESSURE: 1076000 -33.1944 -70.1403 31.8286 -70.1402 -72.5265 -117.905 31.8283 -117.904 41.889 GPRESSURE: 1076000 16.908 -80.4221 60.7243 -49.1474 -57.752 -154.503 111.641 -131.056 71.2111 PRESSAVG: 1076000 -11.3495 24.3241 20.0628 24.3241 -25.5076 17.9705 20.0628 17.9704 26.8479 GPRESSAVG: 1076000 -10.8796 24.1675 22.8814 24.6321 -25.052 16.5961 17.8451 17.1797 26.0436 TIMING: 1076000 CPU: 3206.25, 0.00300696/step Wall: 3206.25, 0.00300696/step, 3.27759 hours remaining, 207.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1076000 699.1578 2099.9877 1938.3043 111.4681 -205641.6381 17534.6606 0.0000 0.0000 34090.7275 -149167.3321 297.7228 -183258.0595 -149071.8199 299.8022 -21.2773 10.1224 557591.9070 -3.3364 -3.2960 PRESSURE: 1076200 -48.3723 -32.3132 114.101 -32.3135 -196.208 81.3359 114.099 81.335 -111.836 GPRESSURE: 1076200 -26.6618 -17.8091 40.2825 15.0364 -125.095 93.9768 199.774 29.215 -109.989 PRESSAVG: 1076200 48.7919 -10.6734 26.8534 -10.6734 9.33794 25.8697 26.8535 25.8697 -77.7334 GPRESSAVG: 1076200 48.6057 -9.24672 27.038 -11.0163 9.08605 26.8602 28.868 25.0404 -77.1569 TIMING: 1076200 CPU: 3206.85, 0.00300412/step Wall: 3206.85, 0.00300412/step, 3.27433 hours remaining, 207.425781 MB of memory in use. ENERGY: 1076200 747.5936 2099.7426 1899.2026 98.4649 -206204.3567 17729.5766 0.0000 0.0000 34463.4301 -149166.3463 300.9777 -183629.7764 -149067.0392 299.5525 -118.8054 -87.2484 558826.7544 -6.5345 -6.4884 LDB: ============= START OF LOAD BALANCING ============== 3210.4 LDB: ============== END OF LOAD BALANCING =============== 3210.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3210.4 LDB: ============= START OF LOAD BALANCING ============== 3210.7 LDB: Largest compute 4773 load 0.028867 is 24.4% of average load 0.118213 LDB: Average compute 0.001718 is 1.5% of average load 0.118213 LDB: TIME 3210.7 LOAD: AVG 0.118213 MAX 0.205198 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 3210.7 LOAD: AVG 0.118213 MAX 0.205198 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: TIME 3210.7 LOAD: AVG 0.118213 MAX 0.205198 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: ============== END OF LOAD BALANCING =============== 3210.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3210.71 PRESSURE: 1076400 -133.679 137.195 -175.172 137.195 -122.409 114.496 -175.171 114.494 271.518 GPRESSURE: 1076400 -159.694 168.352 -191.096 135.305 -24.2185 134.123 -177.223 133.292 300.102 PRESSAVG: 1076400 35.125 -17.1562 -11.4742 -17.156 -51.6008 8.81456 -11.4742 8.81457 9.08311 GPRESSAVG: 1076400 35.776 -17.7167 -10.8516 -16.7095 -51.8538 7.41368 -12.6711 8.87436 9.33122 TIMING: 1076400 CPU: 3207.46, 0.00304979/step Wall: 3207.46, 0.00304979/step, 3.32393 hours remaining, 207.480469 MB of memory in use. ENERGY: 1076400 734.6218 2063.0211 1936.2879 114.7872 -205858.8965 17644.1026 0.0000 0.0000 34257.0294 -149109.0466 299.1752 -183366.0760 -149009.8394 299.4661 5.1434 38.7300 557952.0581 -2.4642 -2.2489 PRESSURE: 1076600 -54.0524 64.0788 -76.8779 64.0778 -168.475 136.107 -76.8768 136.107 77.2933 GPRESSURE: 1076600 20.4118 17.251 -88.4612 4.62966 -134.183 140.142 -217.246 209.652 48.9429 PRESSAVG: 1076600 -32.2983 -32.1693 -4.41276 -32.1694 -8.9831 4.06046 -4.41276 4.06042 72.5251 GPRESSAVG: 1076600 -33.3265 -33.9502 -3.73423 -31.5268 -8.2262 5.51636 -4.94428 5.53738 72.8293 TIMING: 1076600 CPU: 3208.06, 0.00299097/step Wall: 3208.06, 0.00299097/step, 3.25966 hours remaining, 207.683594 MB of memory in use. ENERGY: 1076600 775.2606 2065.6428 1940.4135 105.5215 -206124.9562 17605.9278 0.0000 0.0000 34481.0616 -149151.1285 301.1317 -183632.1902 -149051.3021 299.7448 -48.4112 -21.6093 557442.1431 10.4146 10.4255 PRESSURE: 1076800 -166.071 -60.9188 -32.9394 -60.9183 38.4126 -109.484 -32.9393 -109.484 -216.171 GPRESSURE: 1076800 -131.082 2.5935 -84.128 -24.5935 44.6573 -53.6354 21.1127 -79.6682 -157.609 PRESSAVG: 1076800 14.3232 -12.5084 13.2203 -12.5083 39.037 0.802659 13.2203 0.802671 -55.6994 GPRESSAVG: 1076800 14.3136 -11.2018 11.2861 -12.9978 38.7524 -0.747678 13.386 -0.156359 -55.634 TIMING: 1076800 CPU: 3208.65, 0.00299187/step Wall: 3208.65, 0.00299187/step, 3.26047 hours remaining, 207.683594 MB of memory in use. ENERGY: 1076800 746.6095 2088.3476 1944.0824 108.0430 -206047.2335 17604.1527 0.0000 0.0000 34239.3642 -149316.6340 299.0209 -183555.9983 -149215.0120 299.5545 -114.6099 -81.3447 556912.8100 -0.7797 -0.8560 PRESSURE: 1077000 101.788 150.397 -82.4025 150.397 291.352 41.5632 -82.402 41.565 -293.966 GPRESSURE: 1077000 145.95 188.372 -140.173 116.243 255.479 6.49143 34.3832 30.7538 -209.574 PRESSAVG: 1077000 -14.1991 -11.4515 1.21618 -11.4516 17.5445 30.0084 1.21608 30.0084 -11.1838 GPRESSAVG: 1077000 -13.6873 -10.7087 1.25825 -13.6989 16.3837 32.8767 0.740648 29.2942 -10.7418 TIMING: 1077000 CPU: 3209.25, 0.00297175/step Wall: 3209.25, 0.00297175/step, 3.23839 hours remaining, 207.683594 MB of memory in use. ENERGY: 1077000 770.9661 2083.8602 1915.9967 121.6242 -206456.8449 18043.0784 0.0000 0.0000 34194.5274 -149326.7920 298.6293 -183521.3194 -149231.8550 298.7905 33.0579 63.9515 558291.0469 -2.6128 -2.6818 PRESSURE: 1077200 -113.645 -35.0841 25.3519 -35.0851 -151.79 117.285 25.3514 117.286 55.0751 GPRESSURE: 1077200 -83.0422 -33.7707 -40.8313 -80.4606 -133.766 139.398 44.6051 15.205 110.002 PRESSAVG: 1077200 22.0334 11.0423 -70.6833 11.0423 6.89053 51.8791 -70.6832 51.8791 -44.4973 GPRESSAVG: 1077200 21.091 10.6691 -70.6531 12.3066 8.04405 52.4913 -70.5373 50.7711 -44.6119 TIMING: 1077200 CPU: 3209.85, 0.00299148/step Wall: 3209.85, 0.00299148/step, 3.25972 hours remaining, 207.683594 MB of memory in use. ENERGY: 1077200 747.4459 2062.1533 1946.9374 96.8619 -206124.7877 17670.6093 0.0000 0.0000 34223.8053 -149376.9746 298.8850 -183600.7799 -149286.4575 299.4438 -70.1202 -35.6020 557161.6970 -5.1911 -5.1590 PRESSURE: 1077400 -217.899 -194.738 13.0111 -194.738 85.8498 41.8443 13.0115 41.8421 119.632 GPRESSURE: 1077400 -149.954 -148.195 21.9737 -80.8858 136.866 54.1585 -102.34 20.4406 97.2506 PRESSAVG: 1077400 -21.1776 -31.6397 -8.415 -31.6397 -30.8105 -20.3487 -8.41499 -20.3487 71.5286 GPRESSAVG: 1077400 -19.4111 -32.1528 -8.12756 -30.95 -31.8739 -20.9353 -6.91816 -19.8095 70.5948 TIMING: 1077400 CPU: 3210.45, 0.00302074/step Wall: 3210.45, 0.00302074/step, 3.29144 hours remaining, 207.683594 MB of memory in use. ENERGY: 1077400 759.2432 2123.0516 1926.1156 130.6257 -206467.7378 17833.8752 0.0000 0.0000 34136.5054 -149558.3210 298.1226 -183694.8264 -149462.3267 299.0516 -4.1390 28.0544 557361.2347 6.5135 6.4366 PRESSURE: 1077600 52.2918 -53.1666 195.317 -53.1665 -59.9428 18.3364 195.318 18.3356 -181.591 GPRESSURE: 1077600 63.1792 -77.3005 254.799 -105.702 -19.2047 71.8958 135.244 3.20106 -125.694 PRESSAVG: 1077600 54.588 -1.6643 50.7543 -1.66429 -62.5495 12.3253 50.7544 12.3252 25.4869 GPRESSAVG: 1077600 53.7736 -3.05146 52.2289 -1.06398 -61.3238 9.16196 51.4135 14.2992 25.3137 TIMING: 1077600 CPU: 3211.04, 0.00296591/step Wall: 3211.04, 0.00296591/step, 3.23153 hours remaining, 207.683594 MB of memory in use. ENERGY: 1077600 732.2840 2076.8299 1943.3030 104.2318 -206366.3199 17787.3141 0.0000 0.0000 34231.4792 -149490.8779 298.9520 -183722.3571 -149390.7539 298.6703 -63.0807 -27.2399 557628.3721 5.8418 5.9212 PRESSURE: 1077800 -112.645 30.1687 -184.751 30.1687 -49.5329 -79.4922 -184.751 -79.4938 -224.076 GPRESSURE: 1077800 -69.9261 51.4791 -135.737 14.0072 -48.7347 -61.1388 -201.639 -21.3794 -172.279 PRESSAVG: 1077800 -21.3094 -20.7532 15.0499 -20.7531 -33.488 -14.1127 15.05 -14.1129 22.5508 GPRESSAVG: 1077800 -19.6245 -19.3254 13.504 -21.426 -34.6132 -13.0329 13.5819 -15.5675 22.1379 TIMING: 1077800 CPU: 3211.63, 0.00295648/step Wall: 3211.63, 0.00295648/step, 3.22108 hours remaining, 207.683594 MB of memory in use. ENERGY: 1077800 731.1322 2062.4604 1944.4531 113.7466 -205836.5115 17669.3736 0.0000 0.0000 33904.3903 -149410.9553 296.0955 -183315.3456 -149311.8206 298.4189 -128.7514 -96.9801 558591.0687 -10.7489 -10.6999 PRESSURE: 1078000 9.99747 14.5096 57.29 14.5094 82.4637 -71.0043 57.291 -71.003 212.222 GPRESSURE: 1078000 30.5427 -30.9438 24.0667 3.542 153.008 -49.3751 80.95 -62.8952 220.5 PRESSAVG: 1078000 5.74708 -61.2284 -55.1983 -61.2284 -17.9067 21.6293 -55.1984 21.6293 -3.60967 GPRESSAVG: 1078000 2.32186 -61.0261 -54.509 -60.8495 -17.1279 21.1296 -52.5601 21.6199 -0.961117 TIMING: 1078000 CPU: 3212.23, 0.00296888/step Wall: 3212.23, 0.00296887/step, 3.23442 hours remaining, 207.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1078000 732.8406 2038.4213 1911.9940 112.5494 -206543.8360 18144.1878 0.0000 0.0000 34063.1565 -149540.6864 297.4820 -183603.8429 -149451.6697 298.5475 101.5610 134.6834 556943.1082 -5.2564 -5.2557 PRESSURE: 1078200 -290.849 -53.8201 69.6346 -53.8208 -319.089 -8.71771 69.6356 -8.7183 236.683 GPRESSURE: 1078200 -219.913 -96.6879 142.33 2.65299 -280.953 -60.7404 123.846 18.8387 224.713 PRESSAVG: 1078200 -32.6008 44.1168 22.7659 44.1166 43.9273 53.5312 22.766 53.5311 -19.4794 GPRESSAVG: 1078200 -30.5063 44.8868 25.2174 43.4871 43.6371 55.6976 20.8529 54.8333 -21.4717 TIMING: 1078200 CPU: 3212.82, 0.00296777/step Wall: 3212.82, 0.00296777/step, 3.23306 hours remaining, 207.683594 MB of memory in use. ENERGY: 1078200 733.6389 2065.3943 1933.3415 112.7209 -206192.6024 17748.2363 0.0000 0.0000 34095.7332 -149503.5373 297.7665 -183599.2705 -149409.2967 298.3327 -124.4180 -92.0508 556426.8787 -2.7176 -2.7803 PRESSURE: 1078400 -60.7868 -105.153 -12.9747 -105.151 76.5891 213.867 -12.9738 213.865 -86.8601 GPRESSURE: 1078400 -56.2744 -57.0558 45.4949 -168.522 47.2484 239.669 40.2886 272.172 44.5914 PRESSAVG: 1078400 -24.1294 -44.9812 13.0829 -44.9812 21.7978 24.6416 13.083 24.6416 32.5597 GPRESSAVG: 1078400 -25.2109 -44.0015 13.3599 -44.6204 21.6651 24.5055 13.0751 24.5143 34.3406 TIMING: 1078400 CPU: 3213.42, 0.00299728/step Wall: 3213.42, 0.00299728/step, 3.26504 hours remaining, 207.683594 MB of memory in use. ENERGY: 1078400 700.1031 2070.6089 1915.3233 109.1353 -206290.0120 17860.1237 0.0000 0.0000 34133.8535 -149500.8641 298.0994 -183634.7176 -149406.8804 298.9363 -23.6859 11.8551 557620.5002 10.0760 10.2650 PRESSURE: 1078600 -131.073 -12.1757 -164.884 -12.1752 94.1117 -32.5343 -164.884 -32.5347 111.761 GPRESSURE: 1078600 -57.2859 -50.3466 -192.904 10.8913 95.7006 -105.111 -126.103 22.3177 141.265 PRESSAVG: 1078600 -12.8758 -5.39365 -4.05646 -5.39361 -24.9235 -3.1708 -4.05646 -3.17073 1.75605 GPRESSAVG: 1078600 -12.4995 -8.07713 -2.89374 -4.39662 -24.925 -4.37328 -6.14766 -5.22449 1.47656 TIMING: 1078600 CPU: 3214.02, 0.00297895/step Wall: 3214.02, 0.00297895/step, 3.2449 hours remaining, 207.683594 MB of memory in use. ENERGY: 1078600 732.3690 2016.7264 1936.5790 101.1952 -206508.9313 17947.4190 0.0000 0.0000 34204.3665 -149570.2760 298.7152 -183774.6425 -149472.0057 298.3375 24.9335 59.8932 556858.7348 -12.0144 -11.9826 PRESSURE: 1078800 16.7228 19.6598 -39.1964 19.6586 -295.408 -0.148222 -39.1978 -0.149396 74.672 GPRESSURE: 1078800 73.4193 91.4598 16.8607 86.5558 -292.282 19.3708 -61.4869 -35.9362 111.872 PRESSAVG: 1078800 29.2097 -10.9153 -2.49169 -10.9152 20.5028 -12.9945 -2.4917 -12.9945 -29.3335 GPRESSAVG: 1078800 30.3707 -11.0204 -5.19327 -10.6218 21.2688 -14.5648 0.256361 -10.8837 -30.3111 TIMING: 1078800 CPU: 3214.61, 0.00297963/step Wall: 3214.61, 0.00297963/step, 3.24548 hours remaining, 207.683594 MB of memory in use. ENERGY: 1078800 736.2332 2090.0679 1909.6575 118.4264 -206395.1614 17713.9451 0.0000 0.0000 34139.6025 -149687.2289 298.1496 -183826.8313 -149585.6108 297.8274 -68.0044 -35.6638 557149.7261 6.7930 7.1095 PRESSURE: 1079000 -307.825 -109.931 143.857 -109.931 -26.3637 -56.7994 143.859 -56.7989 133.862 GPRESSURE: 1079000 -311.054 -58.2351 148.094 -80.1883 45.9978 -78.5123 126.835 -24.2492 162.462 PRESSAVG: 1079000 -41.0856 -21.4426 31.2002 -21.4427 -10.3377 -37.4998 31.2002 -37.4998 53.7989 GPRESSAVG: 1079000 -41.8076 -20.2845 31.2566 -22.6672 -10.4251 -37.408 30.17 -37.6815 55.0842 TIMING: 1079000 CPU: 3215.21, 0.00296778/step Wall: 3215.21, 0.00296778/step, 3.23241 hours remaining, 207.683594 MB of memory in use. ENERGY: 1079000 721.7509 2068.4408 1916.0687 106.9017 -206417.7777 17744.7794 0.0000 0.0000 34355.5510 -149504.2853 300.0356 -183859.8363 -149407.6304 298.4763 -66.7758 -34.1982 556341.1724 0.7918 0.9505 PRESSURE: 1079200 118.942 -36.9643 63.7256 -36.964 41.5986 -206.425 63.7256 -206.426 -65.7376 GPRESSURE: 1079200 101.121 56.286 38.791 -91.1254 61.5838 -126.711 97.856 -238.434 29.3451 PRESSAVG: 1079200 -14.2303 25.7523 -20.0534 25.7523 -5.45966 -14.9496 -20.0534 -14.9496 -25.2866 GPRESSAVG: 1079200 -14.1007 27.2567 -19.0568 23.4605 -4.85271 -14.3775 -20.0251 -17.1749 -25.8202 TIMING: 1079200 CPU: 3215.8, 0.00297501/step Wall: 3215.8, 0.00297501/step, 3.24011 hours remaining, 207.683594 MB of memory in use. ENERGY: 1079200 739.8273 2063.8379 1915.8965 115.9127 -206003.1943 17789.5454 0.0000 0.0000 34036.3245 -149341.8500 297.2477 -183378.1745 -149251.0918 298.5799 31.6011 64.0165 556937.6275 -14.9922 -14.9245 PRESSURE: 1079400 99.9058 -35.3748 58.4313 -35.3753 163.819 88.8345 58.431 88.8349 -188.024 GPRESSURE: 1079400 144.74 -131.118 155.371 34.0329 125.922 -3.93436 -53.5316 136.747 -101.208 PRESSAVG: 1079400 40.7538 -9.11531 -12.4654 -9.11528 -40.2063 -63.7524 -12.4654 -63.7523 4.89125 GPRESSAVG: 1079400 41.08 -11.355 -9.25391 -7.55483 -40.6918 -64.104 -15.4463 -61.6175 5.56455 TIMING: 1079400 CPU: 3216.4, 0.0029835/step Wall: 3216.4, 0.0029835/step, 3.24919 hours remaining, 207.683594 MB of memory in use. ENERGY: 1079400 724.3905 2044.5074 1911.2481 104.5225 -206189.9169 17749.0214 0.0000 0.0000 34218.8531 -149437.3739 298.8418 -183656.2270 -149335.3746 298.6839 25.2337 56.4847 557683.2875 1.8129 1.9842 PRESSURE: 1079600 -46.5291 19.9186 -94.6712 19.918 -176.596 104.208 -94.6716 104.209 -213.438 GPRESSURE: 1079600 -43.5009 -23.6294 -57.8454 39.5097 -127.28 188.177 -55.4285 91.7285 -166.048 PRESSAVG: 1079600 -61.1894 -5.57159 9.83357 -5.57155 12.9371 44.3635 9.83358 44.3636 7.00248 GPRESSAVG: 1079600 -59.7272 -3.47285 6.49345 -5.07301 12.0791 47.8726 11.7361 42.2439 6.3057 TIMING: 1079600 CPU: 3217, 0.00299933/step Wall: 3217, 0.00299933/step, 3.26627 hours remaining, 207.683594 MB of memory in use. ENERGY: 1079600 739.9954 2057.1439 1937.8923 109.4477 -206031.7798 17506.2665 0.0000 0.0000 34235.5406 -149445.4934 298.9875 -183681.0340 -149347.9210 298.7581 -145.5209 -112.2764 557976.0678 -13.7499 -13.7808 PRESSURE: 1079800 -125.457 -68.6252 45.842 -68.6247 -165.978 30.1588 45.8417 30.1587 -15.5419 GPRESSURE: 1079800 -24.0696 18.8622 3.19363 -48.7495 -148.475 2.01284 78.8952 16.4906 -29.4716 PRESSAVG: 1079800 57.9318 3.39545 -19.6946 3.39548 -41.8013 23.467 -19.6947 23.4671 -54.9954 GPRESSAVG: 1079800 56.5258 4.18077 -21.473 3.39794 -41.3517 20.4454 -17.6282 24.278 -54.5535 TIMING: 1079800 CPU: 3217.6, 0.00298395/step Wall: 3217.6, 0.00298395/step, 3.24936 hours remaining, 207.683594 MB of memory in use. ENERGY: 1079800 788.9877 2094.4032 1931.3154 122.8020 -206197.6625 17699.2711 0.0000 0.0000 34291.0018 -149269.8814 299.4718 -183560.8832 -149180.5069 298.4932 -102.3255 -67.3388 557995.2622 -12.9550 -13.1265 PRESSURE: 1080000 -43.0185 -91.5387 -71.3557 -91.5376 47.5549 -8.55451 -71.3556 -8.55426 81.3403 GPRESSURE: 1080000 -18.4826 70.5763 -21.9651 -162.161 17.6867 11.2481 -97.5227 47.727 179.244 PRESSAVG: 1080000 -0.664993 -44.0812 -22.2803 -44.0812 -22.6966 17.5081 -22.2803 17.5081 55.7098 GPRESSAVG: 1080000 -0.624287 -46.5335 -19.2049 -43.8672 -22.2857 17.2133 -24.7184 17.7938 55.7189 TIMING: 1080000 CPU: 3218.19, 0.00298562/step Wall: 3218.19, 0.00298562/step, 3.25101 hours remaining, 207.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1080000 735.3467 2116.2645 1925.4969 117.8499 -205945.6027 17603.4886 0.0000 0.0000 34183.1504 -149264.0056 298.5300 -183447.1560 -149171.6920 298.8274 28.6256 59.4827 557208.0609 10.7827 10.9363 PRESSURE: 1080200 -121.09 52.7396 -35.9264 52.7394 205.264 46.7392 -35.9261 46.741 343.731 GPRESSURE: 1080200 -80.6541 -19.7243 -73.6311 33.6432 295.404 -39.2842 -24.8468 110.719 323.096 PRESSAVG: 1080200 23.7461 -11.5188 1.36842 -11.5188 -39.091 19.1854 1.36851 19.1855 42.4735 GPRESSAVG: 1080200 23.802 -11.2039 -1.20681 -11.1484 -38.7483 18.1833 3.43791 18.6827 41.3525 TIMING: 1080200 CPU: 3218.79, 0.00297088/step Wall: 3218.79, 0.00297088/step, 3.23479 hours remaining, 207.683594 MB of memory in use. ENERGY: 1080200 740.6109 2056.6018 1917.3361 108.4680 -206539.1974 18081.5820 0.0000 0.0000 34389.9987 -149244.5998 300.3364 -183634.5985 -149152.8006 299.0238 142.6350 179.2818 557959.5896 9.0429 8.8021 LDB: ============= START OF LOAD BALANCING ============== 3222.33 LDB: ============== END OF LOAD BALANCING =============== 3222.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3222.34 LDB: ============= START OF LOAD BALANCING ============== 3222.64 LDB: Largest compute 4773 load 0.027131 is 23.0% of average load 0.118120 LDB: Average compute 0.001723 is 1.5% of average load 0.118120 LDB: TIME 3222.64 LOAD: AVG 0.11812 MAX 0.20632 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 3222.64 LOAD: AVG 0.11812 MAX 0.20632 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: TIME 3222.64 LOAD: AVG 0.11812 MAX 0.20632 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: ============== END OF LOAD BALANCING =============== 3222.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3222.65 PRESSURE: 1080400 -218.824 -36.8765 -22.3269 -36.8751 -8.62818 -243.531 -22.327 -243.533 166.525 GPRESSURE: 1080400 -170.548 -13.2656 -37.7471 -81.9669 -29.2252 -344.382 1.03273 -205.578 226.822 PRESSAVG: 1080400 -40.6622 -2.12334 0.707275 -2.12326 6.68539 -39.2495 0.707272 -39.2493 -2.02947 GPRESSAVG: 1080400 -39.6832 -3.14142 1.56743 -0.903632 6.00183 -39.4715 0.109115 -40.1238 -2.36504 TIMING: 1080400 CPU: 3219.4, 0.00304725/step Wall: 3219.4, 0.00304725/step, 3.31778 hours remaining, 207.222656 MB of memory in use. ENERGY: 1080400 751.2499 2111.4194 1918.6098 110.0427 -206222.0101 17660.7843 0.0000 0.0000 34385.5776 -149284.3264 300.2978 -183669.9040 -149189.7816 299.1993 -20.3089 9.0162 558883.3196 -12.0021 -12.0155 PRESSURE: 1080600 -74.3225 30.3988 65.6949 30.399 16.1769 -120.326 65.6945 -120.325 -86.2068 GPRESSURE: 1080600 -79.1217 1.10273 27.8623 37.3108 84.9359 -134.139 59.4862 -97.6093 -50.8064 PRESSAVG: 1080600 14.0481 -39.0894 33.7668 -39.0894 -33.1903 -42.7821 33.7667 -42.782 55.6133 GPRESSAVG: 1080600 13.3537 -37.5747 35.8496 -41.3624 -32.6529 -42.5334 32.6508 -40.9321 55.7127 TIMING: 1080600 CPU: 3219.99, 0.00297565/step Wall: 3219.99, 0.00297565/step, 3.23966 hours remaining, 207.425781 MB of memory in use. ENERGY: 1080600 759.4362 2056.5966 1905.6746 104.4520 -205900.2499 17778.1521 0.0000 0.0000 34150.0290 -149145.9094 298.2407 -183295.9384 -149045.4119 299.0282 -48.1175 -14.9974 558397.7443 12.1570 12.1379 PRESSURE: 1080800 104.237 252.747 167.986 252.747 -400.295 -65.6236 167.986 -65.6254 266.317 GPRESSURE: 1080800 209.591 154.295 164.488 193.794 -418.441 -12.7907 151.01 -90.9595 285.906 PRESSAVG: 1080800 -10.8239 46.4818 46.9827 46.4818 -67.6376 -79.9963 46.9827 -79.9962 61.8764 GPRESSAVG: 1080800 -11.3122 44.6006 45.4166 46.7983 -67.2886 -79.8812 47.3072 -79.6578 62.2958 TIMING: 1080800 CPU: 3220.59, 0.00299511/step Wall: 3220.59, 0.00299511/step, 3.26068 hours remaining, 207.425781 MB of memory in use. ENERGY: 1080800 782.0194 2106.5286 1914.0218 102.8382 -206080.1720 17959.7483 0.0000 0.0000 34086.6733 -149128.3423 297.6874 -183215.0156 -149031.5820 299.8319 -9.9137 25.6854 559467.9998 -5.5284 -5.4350 PRESSURE: 1081000 -43.9415 173.174 42.7614 173.174 94.6632 -147.831 42.7616 -147.832 -230.224 GPRESSURE: 1081000 -38.8348 176.152 52.3919 179.358 199.72 -174.746 6.15641 -120.117 -231.601 PRESSAVG: 1081000 -31.507 43.0768 27.1151 43.0767 30.7763 -59.9555 27.1151 -59.9553 6.36695 GPRESSAVG: 1081000 -31.0904 45.4066 27.1337 41.8567 31.6799 -58.3866 27.3956 -60.7916 5.64234 TIMING: 1081000 CPU: 3221.19, 0.00302027/step Wall: 3221.19, 0.00302027/step, 3.2879 hours remaining, 207.425781 MB of memory in use. ENERGY: 1081000 746.1363 2095.5900 1922.6495 101.9292 -206238.9669 17869.0536 0.0000 0.0000 34363.6865 -149139.9220 300.1066 -183503.6084 -149038.0408 299.9183 -59.8341 -23.5720 556396.3760 1.8788 2.0773 PRESSURE: 1081200 -66.9531 -76.6535 180.831 -76.6538 2.10606 -127.723 180.83 -127.722 -37.9761 GPRESSURE: 1081200 -34.5204 -124.459 143.231 -9.21515 43.875 -137.768 135.179 -139.487 -6.84528 PRESSAVG: 1081200 48.6213 35.8337 52.1732 35.8337 38.5642 -77.8939 52.1732 -77.8938 -36.3014 GPRESSAVG: 1081200 49.5545 35.7968 51.8764 36.1667 36.9117 -77.6116 52.2074 -77.9147 -35.3023 TIMING: 1081200 CPU: 3221.79, 0.00296841/step Wall: 3221.79, 0.00296842/step, 3.23129 hours remaining, 207.425781 MB of memory in use. ENERGY: 1081200 735.2967 2177.1635 1948.6770 113.8159 -205833.3640 17746.4104 0.0000 0.0000 34320.9228 -148791.0775 299.7332 -183112.0004 -148697.3355 300.2372 -34.2744 0.8364 559451.7969 16.9614 17.0546 PRESSURE: 1081400 -188.42 234.221 -38.1309 234.221 106.113 -101.861 -38.1284 -101.862 -6.37281 GPRESSURE: 1081400 -163.422 184.008 59.8569 172.161 142.745 -139.771 -32.8941 -99.8727 24.9845 PRESSAVG: 1081400 46.6344 8.78671 64.3637 8.78662 -57.4222 -19.8008 64.3637 -19.8008 -35.4621 GPRESSAVG: 1081400 45.9463 7.81163 65.1227 10.3983 -56.8026 -22.7346 63.3288 -19.7423 -35.986 TIMING: 1081400 CPU: 3222.37, 0.00293063/step Wall: 3222.37, 0.00293063/step, 3.19 hours remaining, 207.425781 MB of memory in use. ENERGY: 1081400 766.4620 2114.9150 1931.3778 112.6468 -205938.2999 17781.9108 0.0000 0.0000 34361.4202 -148869.5674 300.0868 -183230.9876 -148777.1794 300.5049 -29.5599 1.4359 557838.4062 -15.4166 -15.6141 PRESSURE: 1081600 12.6543 -133.419 -179.562 -133.418 42.5696 -20.2993 -179.562 -20.2998 -140.529 GPRESSURE: 1081600 8.91892 -102.385 -169.387 -152.081 93.1501 -27.778 -165.835 -119.293 -102.166 PRESSAVG: 1081600 -1.7307 29.634 5.38316 29.634 31.7894 -12.7292 5.38308 -12.7291 -22.2854 GPRESSAVG: 1081600 -1.82682 30.0709 6.69092 27.3212 31.6697 -10.185 6.49951 -14.5439 -21.7923 TIMING: 1081600 CPU: 3222.97, 0.0029618/step Wall: 3222.97, 0.0029618/step, 3.22375 hours remaining, 207.425781 MB of memory in use. ENERGY: 1081600 762.4130 2148.7798 1949.0329 112.6241 -206122.1464 17645.9968 0.0000 0.0000 34582.4383 -148920.8615 302.0170 -183503.2998 -148816.7181 300.7115 -28.4349 -0.0322 558405.5108 2.5911 2.6835 PRESSURE: 1081800 154.368 -89.6065 -20.1623 -89.6074 -162.987 47.669 -20.1628 47.6685 195.769 GPRESSURE: 1081800 150.755 -115.626 -44.0745 24.4577 -114.733 60.3818 -37.8246 0.317233 253.712 PRESSAVG: 1081800 -30.937 -27.0737 -42.9395 -27.0737 45.9464 -7.17351 -42.9396 -7.17357 -6.72541 GPRESSAVG: 1081800 -31.6621 -28.2331 -46.6731 -24.9657 45.9481 -7.25131 -40.7888 -6.7048 -6.36894 TIMING: 1081800 CPU: 3223.56, 0.00296745/step Wall: 3223.56, 0.00296745/step, 3.22974 hours remaining, 207.625000 MB of memory in use. ENERGY: 1081800 768.0061 2071.4489 1944.6662 108.1182 -206169.9347 17954.4571 0.0000 0.0000 34324.2820 -148998.9562 299.7625 -183323.2381 -148900.2034 300.8505 62.3832 96.5780 558129.8046 2.7613 2.6390 PRESSURE: 1082000 -331.286 -40.6643 149.795 -40.6641 -208.863 -21.7077 149.795 -21.708 -429.477 GPRESSURE: 1082000 -286.138 33.4651 120.983 -88.3306 -176.089 -16.7203 255.08 16.7385 -390.249 PRESSAVG: 1082000 37.9369 29.3232 2.10908 29.3232 -2.40493 -23.475 2.1091 -23.4748 21.3279 GPRESSAVG: 1082000 39.3082 30.7155 2.35948 28.3309 -2.59177 -23.8732 0.540773 -22.9475 20.2005 TIMING: 1082000 CPU: 3224.15, 0.00294753/step Wall: 3224.15, 0.00294753/step, 3.2079 hours remaining, 207.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1082000 739.8420 2052.0995 1964.0460 101.3274 -205247.7398 17111.3929 0.0000 0.0000 34250.4263 -149028.6056 299.1175 -183279.0320 -148923.1031 299.9494 -323.2085 -284.1586 559487.9408 18.9533 18.9723 PRESSURE: 1082200 -186.722 64.6609 62.2951 64.66 -15.2582 -64.0557 62.2956 -64.0582 62.7686 GPRESSURE: 1082200 -84.0498 33.1695 0.540414 9.74119 40.4844 8.24201 108.688 -112.779 5.54734 PRESSAVG: 1082200 47.6766 -11.729 39.457 -11.729 -3.53719 -1.88676 39.457 -1.88671 -37.9326 GPRESSAVG: 1082200 47.3639 -14.183 40.8315 -10.742 -3.86797 -2.99736 39.6023 0.188906 -37.2876 TIMING: 1082200 CPU: 3224.74, 0.00295614/step Wall: 3224.74, 0.00295614/step, 3.21711 hours remaining, 207.625000 MB of memory in use. ENERGY: 1082200 742.6051 2122.8420 1957.8318 115.0582 -205830.6261 17726.1329 0.0000 0.0000 34295.6924 -148870.4638 299.5128 -183166.1562 -148774.6512 300.8596 -46.4037 -12.6727 557754.7077 2.0689 2.0694 PRESSURE: 1082400 93.5545 -15.5573 83.8714 -15.5561 -125.091 -64.7541 83.8699 -64.7508 -84.9842 GPRESSURE: 1082400 119.885 -77.1787 94.8744 77.7027 -82.0084 -5.77504 -43.9988 -132.053 -63.9034 PRESSAVG: 1082400 -41.6091 6.36996 33.4289 6.36996 19.4281 -49.9161 33.4287 -49.9162 -18.5559 GPRESSAVG: 1082400 -42.0161 5.4192 34.2233 7.29996 19.1616 -50.4113 32.9593 -51.5407 -17.8558 TIMING: 1082400 CPU: 3225.34, 0.00298435/step Wall: 3225.34, 0.00298435/step, 3.24764 hours remaining, 207.625000 MB of memory in use. ENERGY: 1082400 756.5008 2092.9456 1932.8562 101.7255 -206004.6359 17706.7193 0.0000 0.0000 34468.4979 -148945.3907 301.0220 -183413.8885 -148852.1502 300.2070 -38.8403 -8.6756 556870.9756 -13.5789 -13.5701 PRESSURE: 1082600 3.36434 -55.1425 50.3476 -55.1422 -133.026 -17.7418 50.3483 -17.7418 -228.366 GPRESSURE: 1082600 -27.3879 -130.793 13.8782 -45.6244 -112.982 81.7806 94.879 12.914 -126.576 PRESSAVG: 1082600 11.9109 -48.677 63.4246 -48.6769 -16.571 -4.97076 63.4246 -4.97078 -27.9355 GPRESSAVG: 1082600 11.6329 -46.3176 65.7139 -51.8044 -15.6588 -2.83643 65.0108 -4.38491 -28.4999 TIMING: 1082600 CPU: 3225.94, 0.00298784/step Wall: 3225.94, 0.00298784/step, 3.25127 hours remaining, 207.625000 MB of memory in use. ENERGY: 1082600 787.2138 2068.0317 1967.6146 116.1977 -205753.2808 17555.1414 0.0000 0.0000 34366.6581 -148892.4235 300.1326 -183259.0816 -148799.3970 300.4181 -119.3426 -88.9822 558234.8471 -10.8652 -10.8420 PRESSURE: 1082800 -179.789 -93.6819 78.0156 -93.6819 -119.4 41.4012 78.0154 41.401 -96.4293 GPRESSURE: 1082800 -124.155 -21.9563 68.7821 -144.741 -75.6081 -20.4208 77.2724 21.6638 -99.2249 PRESSAVG: 1082800 54.6509 17.9041 -9.65703 17.9043 -24.2249 27.0788 -9.65693 27.0788 -37.9542 GPRESSAVG: 1082800 55.8124 18.9032 -12.2189 18.0892 -25.4037 26.762 -9.90243 27.2359 -37.8813 TIMING: 1082800 CPU: 3226.54, 0.00300016/step Wall: 3226.54, 0.00300016/step, 3.26451 hours remaining, 207.625000 MB of memory in use. ENERGY: 1082800 764.6621 2098.9261 1957.9868 119.3632 -205754.8644 17514.8092 0.0000 0.0000 34441.4960 -148857.6212 300.7862 -183299.1172 -148768.3943 300.5693 -131.8729 -99.6627 558070.4477 -2.5094 -2.4909 PRESSURE: 1083000 -17.0697 -82.1511 184.461 -82.1513 -27.0232 37.682 184.46 37.682 -55.7577 GPRESSURE: 1083000 25.5323 -10.6015 148.345 -76.7389 35.036 24.4541 161.569 66.8244 -60.0355 PRESSAVG: 1083000 0.528445 -44.4002 28.7223 -44.4002 23.9175 -36.0463 28.7222 -36.0463 -45.7993 GPRESSAVG: 1083000 -1.00229 -43.5879 29.692 -44.2494 24.7613 -38.2441 26.5432 -35.1593 -45.5823 TIMING: 1083000 CPU: 3227.13, 0.00297276/step Wall: 3227.13, 0.00297276/step, 3.23452 hours remaining, 207.625000 MB of memory in use. ENERGY: 1083000 767.9117 2154.7164 1934.2132 119.0461 -205847.3159 17772.5271 0.0000 0.0000 34248.1067 -148850.7946 299.0972 -183098.9013 -148751.6688 300.5998 -33.2836 0.1776 558669.6282 -7.1178 -7.2744 PRESSURE: 1083200 206.515 81.8714 -54.6761 81.8725 60.8779 -117.07 -54.6762 -117.07 29.2168 GPRESSURE: 1083200 235.656 32.9856 34.5418 91.3725 124.372 -176.687 -149.932 -38.5987 25.5188 PRESSAVG: 1083200 9.58082 -36.3283 33.7505 -36.3282 -15.6069 -20.6861 33.7506 -20.6861 26.5676 GPRESSAVG: 1083200 9.1882 -35.6905 34.3161 -35.0892 -15.9168 -19.8243 33.8214 -20.5437 26.5825 TIMING: 1083200 CPU: 3227.72, 0.00296258/step Wall: 3227.72, 0.00296258/step, 3.22329 hours remaining, 207.625000 MB of memory in use. ENERGY: 1083200 753.6577 2109.6789 1942.5829 128.0716 -206008.7598 17847.0710 0.0000 0.0000 34348.1847 -148879.5131 299.9712 -183227.6978 -148788.2607 300.2727 98.8697 128.5155 555878.1186 6.8472 6.6180 PRESSURE: 1083400 44.8024 -133.773 -18.1313 -133.774 -160.824 4.15617 -18.1323 4.15811 78.0715 GPRESSURE: 1083400 69.5572 -136.732 33.1873 -82.2095 -153.439 -80.9873 -62.4995 14.9114 162.472 PRESSAVG: 1083400 28.4275 -33.0724 4.58636 -33.0724 -60.0671 23.3902 4.58636 23.3902 17.0946 GPRESSAVG: 1083400 29.794 -33.5139 4.12036 -33.8781 -60.0554 25.1786 6.13759 22.2715 16.0151 TIMING: 1083400 CPU: 3228.31, 0.00294781/step Wall: 3228.31, 0.00294781/step, 3.20706 hours remaining, 207.625000 MB of memory in use. ENERGY: 1083400 729.6512 2121.8413 1926.2571 97.7041 -206464.8717 17961.8625 0.0000 0.0000 34440.3252 -149187.2302 300.7759 -183627.5554 -149087.7245 299.6604 -12.6500 26.1967 557282.3148 -4.8483 -4.7488 PRESSURE: 1083600 -232.75 -0.0211496 -85.9941 -0.0217961 -102.335 2.36423 -85.9948 2.36263 133.557 GPRESSURE: 1083600 -209.287 -64.9872 -139.715 16.0635 -75.1817 -4.23909 -122.444 45.9038 182.898 PRESSAVG: 1083600 11.667 -24.8316 33.3884 -24.8317 -13.7019 -23.5335 33.3884 -23.5335 -11.8 GPRESSAVG: 1083600 10.9256 -27.4862 34.0032 -22.109 -12.8695 -24.0029 30.4958 -24.046 -11.5455 TIMING: 1083600 CPU: 3228.9, 0.0029553/step Wall: 3228.9, 0.0029553/step, 3.21504 hours remaining, 207.625000 MB of memory in use. ENERGY: 1083600 741.2445 2100.4507 1931.9324 106.6672 -206141.0286 17753.9641 0.0000 0.0000 34483.5734 -149023.1963 301.1536 -183506.7697 -148918.3986 299.2236 -67.1761 -33.8568 556117.2119 -4.6116 -4.4964 PRESSURE: 1083800 10.9207 59.9811 -82.88 59.9799 57.5645 -118.195 -82.8796 -118.195 2.77204 GPRESSURE: 1083800 64.1357 94.2571 -87.3246 33.3008 106.744 -81.4864 -88.2106 -35.5515 7.10808 PRESSAVG: 1083800 -22.9437 -19.9756 0.616775 -19.9756 47.3258 -18.3197 0.616749 -18.3196 -13.62 GPRESSAVG: 1083800 -21.7075 -19.3025 0.761652 -22.5958 46.9498 -16.9931 3.10129 -17.7051 -14.341 TIMING: 1083800 CPU: 3229.5, 0.00297289/step Wall: 3229.5, 0.00297289/step, 3.234 hours remaining, 207.625000 MB of memory in use. ENERGY: 1083800 773.9800 2132.7350 1923.6950 115.7269 -206368.6617 17959.7870 0.0000 0.0000 34441.2873 -149021.4505 300.7843 -183462.7378 -148922.1070 299.5692 23.7524 59.3293 555794.2956 3.5874 3.6337 PRESSURE: 1084000 108.579 27.2847 53.1538 27.284 -201.822 128.771 53.1517 128.77 -148.042 GPRESSURE: 1084000 174.237 64.1299 -29.2329 54.3493 -210.929 124.615 96.7207 72.0992 -96.9088 PRESSAVG: 1084000 10.49 -21.0058 10.189 -21.0058 -21.8875 -4.31148 10.1889 -4.31139 -1.60848 GPRESSAVG: 1084000 9.84317 -18.9586 8.04146 -20.5702 -21.5314 -5.01282 11.3846 -3.58077 -1.27325 TIMING: 1084000 CPU: 3230.09, 0.00295744/step Wall: 3230.09, 0.00295744/step, 3.21704 hours remaining, 207.625000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1084000 748.0287 2080.9777 1930.4511 127.1711 -206002.4509 17692.2912 0.0000 0.0000 34344.9793 -149078.5518 299.9432 -183423.5311 -148977.1259 299.5456 -80.4283 -44.5336 557653.4677 -4.3353 -4.3205 PRESSURE: 1084200 -62.1754 37.7246 -25.4047 37.7253 38.6946 164.235 -25.4048 164.238 142.083 GPRESSURE: 1084200 -37.898 -25.0149 -64.9631 51.2211 134.41 178.011 -56.4022 157.521 134.695 PRESSAVG: 1084200 -14.3086 40.1997 -16.2423 40.1996 31.0657 40.1874 -16.2423 40.1874 -20.0059 GPRESSAVG: 1084200 -13.8815 41.1902 -15.886 39.851 30.4106 40.3524 -17.5758 40.4655 -19.571 TIMING: 1084200 CPU: 3230.68, 0.0029496/step Wall: 3230.68, 0.0029496/step, 3.20835 hours remaining, 207.625000 MB of memory in use. ENERGY: 1084200 747.3519 2120.4211 1957.7367 123.5973 -206353.0873 17725.9687 0.0000 0.0000 34426.9758 -149251.0357 300.6593 -183678.0116 -149151.1326 299.7375 39.5339 77.0691 556309.3410 -1.0829 -1.0140 LDB: ============= START OF LOAD BALANCING ============== 3234.23 LDB: ============== END OF LOAD BALANCING =============== 3234.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3234.23 LDB: ============= START OF LOAD BALANCING ============== 3234.52 LDB: Largest compute 4773 load 0.027285 is 23.1% of average load 0.118240 LDB: Average compute 0.001734 is 1.5% of average load 0.118240 LDB: TIME 3234.52 LOAD: AVG 0.11824 MAX 0.204111 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 3234.53 LOAD: AVG 0.11824 MAX 0.204111 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: TIME 3234.53 LOAD: AVG 0.11824 MAX 0.204111 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: ============== END OF LOAD BALANCING =============== 3234.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3234.53 PRESSURE: 1084400 -185.852 -59.0785 -225.785 -59.0779 -51.7726 -199.265 -225.785 -199.266 -218.158 GPRESSURE: 1084400 -186.412 -29.7707 -131.885 -53.6015 -19.9846 -182.979 -201.206 -148.376 -156.35 PRESSAVG: 1084400 15.3528 23.8625 -1.29305 23.8625 11.0822 6.65773 -1.29309 6.65774 57.3903 GPRESSAVG: 1084400 14.6241 23.0919 0.0714251 23.6026 11.4508 6.2624 -1.19177 5.50386 57.53 TIMING: 1084400 CPU: 3231.28, 0.00301167/step Wall: 3231.28, 0.00301167/step, 3.2757 hours remaining, 208.699219 MB of memory in use. ENERGY: 1084400 728.8009 2097.6656 1965.9397 111.9104 -205773.6132 17511.4390 0.0000 0.0000 34116.6234 -149241.2342 297.9490 -183357.8575 -149141.4086 300.1590 -151.9273 -120.9155 557619.8918 27.9418 27.8683 PRESSURE: 1084600 113.003 129.07 178.552 129.071 -99.6861 -57.5411 178.552 -57.5397 -15.0432 GPRESSURE: 1084600 109.785 171.432 125.193 111.278 -49.3035 -33.3189 234.734 -63.5676 39.5424 PRESSAVG: 1084600 27.235 86.8004 30.3074 86.8005 9.53717 26.7596 30.3075 26.7596 -37.2319 GPRESSAVG: 1084600 27.9292 87.8349 30.368 87.0533 10.1001 26.5305 30.8121 26.3127 -38.0878 TIMING: 1084600 CPU: 3231.87, 0.00294816/step Wall: 3231.87, 0.00294815/step, 3.20645 hours remaining, 208.699219 MB of memory in use. ENERGY: 1084600 798.0039 2133.8720 1926.4500 109.0748 -206763.0513 18080.4770 0.0000 0.0000 34513.9613 -149201.2123 301.4190 -183715.1736 -149105.0726 299.4869 -0.5753 33.3414 557402.1726 -0.1532 -0.0195 PRESSURE: 1084800 -247.742 121.928 154.108 121.929 67.8255 -98.1366 154.109 -98.1384 -99.4819 GPRESSURE: 1084800 -216.894 20.2591 159.646 144.51 127.116 -132.328 92.1228 8.21794 -75.9093 PRESSAVG: 1084800 2.98723 1.60723 74.1169 1.60739 -45.0321 5.59788 74.117 5.59797 71.2899 GPRESSAVG: 1084800 3.10018 -0.77856 74.1232 3.20798 -46.5888 6.11334 75.1584 6.47778 73.0595 TIMING: 1084800 CPU: 3232.46, 0.00296401/step Wall: 3232.46, 0.00296401/step, 3.22352 hours remaining, 208.699219 MB of memory in use. ENERGY: 1084800 746.5455 2042.9837 1920.5712 100.7001 -206195.7100 17814.0983 0.0000 0.0000 34464.3024 -149106.5088 300.9853 -183570.8112 -149011.5163 299.8337 -93.1329 -55.2289 557710.3868 9.7483 9.8569 PRESSURE: 1085000 -161.648 -35.4722 48.989 -35.4709 47.478 27.853 48.9881 27.8523 -239.773 GPRESSURE: 1085000 -63.2988 18.6649 125.237 -49.8909 45.0021 8.90623 57.6238 14.4649 -246.497 PRESSAVG: 1085000 21.2887 34.1906 8.49653 34.1905 24.0237 -6.88595 8.49663 -6.88578 -21.6097 GPRESSAVG: 1085000 21.6996 37.339 7.66784 32.5628 25.2886 -7.2417 5.5669 -8.84506 -23.5438 TIMING: 1085000 CPU: 3233.06, 0.00297095/step Wall: 3233.06, 0.00297095/step, 3.23091 hours remaining, 208.699219 MB of memory in use. ENERGY: 1085000 730.6837 2094.6238 1945.8563 108.2066 -206073.8022 17684.4254 0.0000 0.0000 34272.1141 -149237.8925 299.3069 -183510.0065 -149135.9494 300.3479 -117.9812 -88.2647 558565.5358 7.9009 7.8148 PRESSURE: 1085200 -166.004 42.445 -66.8134 42.4448 -365.5 61.0246 -66.8129 61.0266 -507.128 GPRESSURE: 1085200 -185.231 49.315 -98.0388 77.9419 -324.431 6.33596 -64.4104 21.0716 -445.054 PRESSAVG: 1085200 63.0083 46.4669 -5.68394 46.4671 -22.7701 10.1183 -5.684 10.1183 -91.3191 GPRESSAVG: 1085200 62.8403 43.3238 -4.79312 46.1885 -23.7402 8.40712 -3.21593 12.9328 -90.2934 TIMING: 1085200 CPU: 3233.65, 0.00298218/step Wall: 3233.65, 0.00298218/step, 3.24296 hours remaining, 208.699219 MB of memory in use. ENERGY: 1085200 761.9547 2112.0833 1916.6351 126.1942 -205752.1196 17348.9852 0.0000 0.0000 34249.7806 -149236.4865 299.1119 -183486.2671 -149133.8223 299.2929 -346.2108 -318.2385 559790.0328 -17.0270 -17.0644 PRESSURE: 1085400 166.506 190.29 2.45533 190.288 97.2254 -63.5628 2.45554 -63.5628 263.413 GPRESSURE: 1085400 202.913 161.738 78.5659 210.716 105.945 -29.2867 -10.0878 -170.854 335.686 PRESSAVG: 1085400 -26.5239 -7.03971 4.40085 -7.03982 4.06586 -54.2862 4.40094 -54.2862 -25.8627 GPRESSAVG: 1085400 -25.7243 -5.48055 5.35865 -8.23087 4.06127 -52.8533 2.58738 -57.0331 -25.6935 TIMING: 1085400 CPU: 3234.25, 0.00299018/step Wall: 3234.25, 0.00299018/step, 3.25148 hours remaining, 208.699219 MB of memory in use. ENERGY: 1085400 754.3658 2104.8084 1934.2717 107.1959 -206455.7259 17969.3306 0.0000 0.0000 34301.7994 -149283.9542 299.5661 -183585.7536 -149180.1569 298.9888 175.7147 214.8481 556574.4024 -16.1069 -15.7855 PRESSURE: 1085600 -63.8395 -3.64174 98.2262 -3.64039 10.3275 100.486 98.2267 100.486 -251.142 GPRESSURE: 1085600 -53.7336 23.135 21.3274 -31.5624 64.4504 106.331 167.441 22.6357 -197.8 PRESSAVG: 1085600 -15.5488 47.4153 18.3175 47.4153 27.0416 16.1783 18.3175 16.1783 -19.7965 GPRESSAVG: 1085600 -16.6984 48.6685 16.2099 47.2855 28.1946 15.6984 19.7363 17.7961 -19.7992 TIMING: 1085600 CPU: 3234.84, 0.00295276/step Wall: 3234.84, 0.00295276/step, 3.21064 hours remaining, 208.699219 MB of memory in use. ENERGY: 1085600 722.6910 2088.5119 1904.3749 98.3842 -205772.3050 17433.7288 0.0000 0.0000 34236.2655 -149288.3487 298.9938 -183524.6142 -149192.2484 299.2109 -101.5512 -62.3609 556968.5154 -2.7679 -2.7676 PRESSURE: 1085800 274.448 38.194 78.9504 38.194 -30.459 13.1785 78.9507 13.1779 -34.2688 GPRESSURE: 1085800 284.934 40.7455 143.46 20.9649 -9.5507 56.1119 33.3037 1.25812 24.9301 PRESSAVG: 1085800 -12.3722 21.1986 16.8639 21.1987 -34.9957 -24.1093 16.8639 -24.1093 52.2889 GPRESSAVG: 1085800 -11.962 18.1917 18.298 22.4109 -35.3819 -24.913 17.112 -23.3369 52.7434 TIMING: 1085800 CPU: 3235.43, 0.00295267/step Wall: 3235.43, 0.00295267/step, 3.21037 hours remaining, 208.699219 MB of memory in use. ENERGY: 1085800 788.3419 2040.6449 1916.7609 109.6217 -206429.3776 18025.1345 0.0000 0.0000 34261.7739 -149287.0998 299.2166 -183548.8736 -149191.6023 299.3809 69.9068 100.1044 557880.0309 1.6403 1.7998 PRESSURE: 1086000 23.2066 83.9178 -4.45893 83.9183 427.727 -129.322 -4.45879 -129.322 -84.902 GPRESSURE: 1086000 57.1249 158.567 -71.7333 124.919 429.426 -226.729 -28.5052 -132.673 -31.0977 PRESSAVG: 1086000 -29.1185 9.34427 -28.7925 9.3443 30.4783 -2.5512 -28.7925 -2.55119 0.954238 GPRESSAVG: 1086000 -29.1888 12.0205 -29.553 8.94775 31.2422 -0.529562 -27.7546 -4.90083 0.476741 TIMING: 1086000 CPU: 3236.02, 0.00295346/step Wall: 3236.02, 0.00295346/step, 3.21107 hours remaining, 208.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1086000 753.4978 2088.0167 1946.0205 117.1478 -206558.3683 18079.8696 0.0000 0.0000 34222.2139 -149351.6020 298.8711 -183573.8159 -149258.9272 299.1723 122.0104 151.8178 556190.9081 0.7713 0.8434 PRESSURE: 1086200 -34.9638 -126.644 149.1 -126.644 63.8734 -31.4164 149.099 -31.4175 101.27 GPRESSURE: 1086200 6.69328 -217.87 122.471 -108.257 122.96 -78.9893 117.004 99.5749 97.7632 PRESSAVG: 1086200 -51.2147 -15.1139 23.8167 -15.1138 62.7957 -35.014 23.8167 -35.0139 -22.209 GPRESSAVG: 1086200 -51.4769 -15.8535 24.0938 -15.2991 62.607 -35.243 21.4562 -34.083 -21.3361 TIMING: 1086200 CPU: 3236.62, 0.00295763/step Wall: 3236.62, 0.00295763/step, 3.21544 hours remaining, 208.699219 MB of memory in use. ENERGY: 1086200 769.7300 2077.5830 1931.9321 119.1206 -206605.0189 17903.3633 0.0000 0.0000 34385.2551 -149418.0348 300.2950 -183803.2899 -149320.3183 299.2233 43.3930 75.8055 555445.5278 -3.5427 -3.4020 PRESSURE: 1086400 -18.2038 -82.7268 -63.9933 -82.7265 102.579 28.1906 -63.9929 28.1895 -104.127 GPRESSURE: 1086400 54.9102 -119.519 -14.543 -52.8581 112.977 -2.9051 -112.728 -16.5702 -72.9582 PRESSAVG: 1086400 -13.4793 -7.86226 -21.2204 -7.86226 -16.9478 34.2747 -21.2204 34.2748 27.4582 GPRESSAVG: 1086400 -11.8752 -10.1667 -19.8217 -9.42699 -18.3122 34.4902 -19.6191 33.3205 27.3339 TIMING: 1086400 CPU: 3237.21, 0.00296105/step Wall: 3237.21, 0.00296105/step, 3.21899 hours remaining, 208.699219 MB of memory in use. ENERGY: 1086400 739.6516 2059.4496 1923.1794 119.0585 -206687.9709 17898.3724 0.0000 0.0000 34446.4220 -149501.8373 300.8292 -183948.2593 -149404.9239 298.7531 -6.5841 31.6429 556352.5911 -0.9896 -0.9511 PRESSURE: 1086600 83.957 29.0258 112.158 29.0256 -161.573 -4.33224 112.159 -4.33237 118.82 GPRESSURE: 1086600 84.6608 67.7598 89.9913 11.1846 -79.0138 -59.1317 146.593 35.6857 139.143 PRESSAVG: 1086600 -27.0006 4.63015 45.2196 4.63018 102.52 29.9966 45.2195 29.9966 -28.2265 GPRESSAVG: 1086600 -27.5776 6.64614 40.7012 5.23038 103.08 27.8665 47.4711 31.1019 -28.2557 TIMING: 1086600 CPU: 3237.8, 0.0029368/step Wall: 3237.8, 0.0029368/step, 3.19246 hours remaining, 208.699219 MB of memory in use. ENERGY: 1086600 739.5512 2067.1734 1945.2078 111.7251 -206403.2969 17750.0691 0.0000 0.0000 34315.5123 -149474.0580 299.6859 -183789.5704 -149372.3964 298.8370 13.7348 48.2634 555429.2782 15.7643 15.7488 PRESSURE: 1086800 -76.6701 2.67647 -139.966 2.67607 4.01525 47.9161 -139.966 47.9153 200.678 GPRESSURE: 1086800 -66.3966 -24.1983 -122.942 30.5421 22.0907 33.9202 -238.284 24.9907 277.196 PRESSAVG: 1086800 -69.0623 27.8914 -27.6873 27.8914 19.1069 16.1066 -27.6873 16.1067 29.0682 GPRESSAVG: 1086800 -69.0616 27.7923 -24.7747 27.3248 19.3312 16.3943 -29.7048 17.3142 28.9769 TIMING: 1086800 CPU: 3238.39, 0.00295265/step Wall: 3238.39, 0.00295265/step, 3.20953 hours remaining, 208.699219 MB of memory in use. ENERGY: 1086800 733.5243 2082.8140 1917.0488 96.8987 -206437.9770 17947.3225 0.0000 0.0000 34110.2628 -149550.1059 297.8934 -183660.3687 -149449.2122 298.4948 42.6745 77.6301 556779.6032 -6.9624 -6.9178 PRESSURE: 1087000 -505.969 -156.01 -187.584 -156.009 -182.663 -103.564 -187.584 -103.564 -601.348 GPRESSURE: 1087000 -466.261 -87.1976 -138.315 -116.74 -179.359 -199.866 -162.92 -50.4273 -547.228 PRESSAVG: 1087000 4.66771 -36.1354 -26.2214 -36.1353 32.1916 8.4047 -26.2213 8.40485 -40.7206 GPRESSAVG: 1087000 4.38136 -35.6092 -25.1332 -36.5593 33.0603 9.92271 -26.7866 7.04117 -41.3069 TIMING: 1087000 CPU: 3238.98, 0.00296135/step Wall: 3238.98, 0.00296135/step, 3.21882 hours remaining, 208.699219 MB of memory in use. ENERGY: 1087000 800.0650 2121.0682 1918.3971 126.2037 -205923.4415 17434.3508 0.0000 0.0000 34076.3961 -149446.9606 297.5976 -183523.3567 -149348.6768 298.4314 -429.9935 -397.6160 557521.0062 -1.2871 -1.2884 PRESSURE: 1087200 -51.2134 84.3678 -6.54601 84.3692 -114.781 178.138 -6.54645 178.138 107.934 GPRESSURE: 1087200 -35.1928 110.971 -96.915 89.42 -27.8711 165.202 75.5358 167.513 96.4614 PRESSAVG: 1087200 -3.67261 4.94878 -4.38122 4.94885 -3.71865 70.3181 -4.38114 70.3181 -9.76331 GPRESSAVG: 1087200 -4.91764 3.28659 -5.30851 6.31499 -3.46018 71.0698 -4.15719 69.1697 -8.87442 TIMING: 1087200 CPU: 3239.57, 0.00297054/step Wall: 3239.57, 0.00297054/step, 3.22864 hours remaining, 208.699219 MB of memory in use. ENERGY: 1087200 753.2767 2051.7514 1915.0593 122.7052 -206594.1792 17905.8672 0.0000 0.0000 34360.4179 -149485.1015 300.0781 -183845.5194 -149388.2052 298.8989 -19.3535 11.1325 557148.8830 -5.7182 -5.7507 PRESSURE: 1087400 19.8145 48.9998 -158.424 48.9981 160.991 -19.112 -158.422 -19.1142 138.783 GPRESSURE: 1087400 86.2576 -21.2859 -56.4275 51.3252 197.49 -35.0507 -245.953 3.97595 145.43 PRESSAVG: 1087400 47.4347 -7.64365 23.1179 -7.64372 -22.3737 -2.18377 23.1179 -2.18377 -36.0317 GPRESSAVG: 1087400 48.9664 -7.13879 22.9477 -7.90929 -23.462 -1.14249 22.3148 -0.276593 -36.3331 TIMING: 1087400 CPU: 3240.16, 0.0029527/step Wall: 3240.16, 0.0029527/step, 3.20909 hours remaining, 208.699219 MB of memory in use. ENERGY: 1087400 738.7526 2094.8616 1909.4547 107.7840 -206708.8263 18167.9502 0.0000 0.0000 34192.0150 -149498.0082 298.6074 -183690.0232 -149398.7933 299.1199 106.5295 143.0591 555484.7676 -3.6569 -3.6096 PRESSURE: 1087600 -84.8095 -7.54565 -132.212 -7.54653 -155.21 56.0377 -132.212 56.0371 -61.1977 GPRESSURE: 1087600 -40.1163 -16.7052 -183.281 -6.228 -141.572 126.994 -93.201 32.1159 -9.98826 PRESSAVG: 1087600 -28.1659 -4.20691 35.7156 -4.20689 64.254 -9.02665 35.7156 -9.0268 -31.0878 GPRESSAVG: 1087600 -28.4637 -3.57534 36.1998 -3.68652 64.1628 -10.9833 36.4597 -9.30391 -30.1865 TIMING: 1087600 CPU: 3240.76, 0.00297325/step Wall: 3240.76, 0.00297325/step, 3.23126 hours remaining, 208.699219 MB of memory in use. ENERGY: 1087600 761.9331 2088.7873 1917.2163 103.7588 -206634.7369 17775.9919 0.0000 0.0000 34386.8323 -149600.2171 300.3088 -183987.0494 -149495.7448 298.6337 -100.4056 -63.8923 557670.9958 1.6668 1.8375 PRESSURE: 1087800 216.238 -36.6689 -53.8458 -36.6683 26.6512 167.893 -53.8451 167.893 -201.239 GPRESSURE: 1087800 250.727 -57.4352 -34.1778 -46.3759 38.9189 196.596 33.1464 179.638 -161.5 PRESSAVG: 1087800 10.8143 9.29394 -13.7781 9.29397 -17.0632 24.7699 -13.7781 24.77 12.0561 GPRESSAVG: 1087800 10.8223 10.6276 -14.772 8.25481 -16.1924 23.4832 -13.0273 24.749 11.0329 TIMING: 1087800 CPU: 3241.36, 0.00301656/step Wall: 3241.36, 0.00301656/step, 3.27817 hours remaining, 208.699219 MB of memory in use. ENERGY: 1087800 779.5426 2117.3037 1898.9883 114.4922 -206315.8451 17851.4087 0.0000 0.0000 33977.3540 -149576.7556 296.7327 -183554.1096 -149482.3501 297.9876 13.8833 42.7155 556851.5467 1.9357 1.8876 PRESSURE: 1088000 -29.0545 -78.2857 159.74 -78.2849 19.5727 -79.5219 159.74 -79.5211 -358.51 GPRESSURE: 1088000 13.8863 -157.432 187.571 -135.36 6.62364 -21.6169 200.412 -85.3229 -288.287 PRESSAVG: 1088000 22.7801 2.18404 11.1973 2.18403 5.17559 32.9211 11.1974 32.9211 -44.5547 GPRESSAVG: 1088000 22.8414 -0.212794 13.6503 3.22418 4.79304 34.1269 9.0446 33.452 -43.578 TIMING: 1088000 CPU: 3241.96, 0.00297581/step Wall: 3241.96, 0.00297581/step, 3.23372 hours remaining, 208.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1088000 771.2875 2098.9880 1926.2587 111.5981 -206793.4222 17897.2693 0.0000 0.0000 34373.2017 -149614.8188 300.1897 -183988.0206 -149516.3681 298.5910 -122.6641 -89.2589 554894.8310 -5.5330 -5.3145 PRESSURE: 1088200 -256.927 -8.50804 100.607 -8.50814 -73.6604 69.2842 100.606 69.2838 -233.675 GPRESSURE: 1088200 -209.012 -60.6874 117.753 -36.7286 -63.0745 40.7014 122.127 78.9137 -194.108 PRESSAVG: 1088200 -37.3784 15.0348 27.7672 15.0348 -21.7071 76.6845 27.767 76.6844 78.0863 GPRESSAVG: 1088200 -36.6695 13.6358 24.7083 14.978 -21.1564 76.9017 28.5702 75.197 76.1725 TIMING: 1088200 CPU: 3242.55, 0.00298914/step Wall: 3242.55, 0.00298914/step, 3.24803 hours remaining, 208.765625 MB of memory in use. ENERGY: 1088200 753.2733 2079.0335 1930.2937 100.2875 -206260.4855 17648.0043 0.0000 0.0000 34387.5571 -149362.0360 300.3151 -183749.5931 -149266.5556 298.7412 -188.0876 -155.3979 557248.8636 6.3336 6.1155 LDB: ============= START OF LOAD BALANCING ============== 3246.1 LDB: ============== END OF LOAD BALANCING =============== 3246.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3246.11 LDB: ============= START OF LOAD BALANCING ============== 3246.41 LDB: Largest compute 4773 load 0.026420 is 22.3% of average load 0.118238 LDB: Average compute 0.001729 is 1.5% of average load 0.118238 LDB: TIME 3246.41 LOAD: AVG 0.118238 MAX 0.20686 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.902 MB LDB: TIME 3246.41 LOAD: AVG 0.118238 MAX 0.20686 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.902 MB LDB: TIME 3246.41 LOAD: AVG 0.118238 MAX 0.20686 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3246.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3246.42 PRESSURE: 1088400 -23.251 64.9195 -36.827 64.9192 -43.4587 130.608 -36.826 130.608 -538.557 GPRESSURE: 1088400 -24.4044 96.0467 -63.7724 -52.001 1.1668 93.7747 -38.7342 184.244 -476.25 PRESSAVG: 1088400 -59.1708 32.2308 55.9393 32.2308 30.4648 -14.1394 55.9394 -14.1394 -15.407 GPRESSAVG: 1088400 -59.9681 34.0608 55.8762 33.2142 30.4801 -12.9299 57.1791 -11.9016 -14.4373 TIMING: 1088400 CPU: 3243.17, 0.00305906/step Wall: 3243.17, 0.00305906/step, 3.32384 hours remaining, 207.992188 MB of memory in use. ENERGY: 1088400 763.6241 2061.6366 1919.5728 103.6852 -206154.2410 17657.4368 0.0000 0.0000 34279.2998 -149368.9856 299.3697 -183648.2854 -149266.5761 299.5031 -201.7557 -166.4959 557192.2994 -14.7044 -14.6418 PRESSURE: 1088600 398.653 127.271 57.0061 127.272 98.2084 120.579 57.0064 120.577 -23.1047 GPRESSURE: 1088600 345.826 135.174 7.76905 103.502 182.501 137.337 122.467 130.927 62.8622 PRESSAVG: 1088600 5.42959 27.336 -44.0067 27.336 21.3091 45.9374 -44.0066 45.9375 -34.2899 GPRESSAVG: 1088600 6.08928 25.47 -41.8712 27.0141 21.6497 43.6442 -45.1759 43.8208 -34.8676 TIMING: 1088600 CPU: 3243.76, 0.00299442/step Wall: 3243.76, 0.00299442/step, 3.25344 hours remaining, 208.250000 MB of memory in use. ENERGY: 1088600 734.9030 2058.8245 1937.5953 110.7037 -206091.1740 17941.3733 0.0000 0.0000 33973.1219 -149334.6522 296.6957 -183307.7741 -149240.5586 298.3863 157.9189 197.0632 557085.8423 -2.5171 -2.3762 PRESSURE: 1088800 91.6819 -315.38 111.597 -315.38 -198.379 56.9453 111.597 56.9464 101.832 GPRESSURE: 1088800 130.144 -319.298 100.818 -255.391 -164.729 58.2819 156.479 -51.0055 144.435 PRESSAVG: 1088800 -9.89737 12.3554 -4.08432 12.3554 -43.9255 -60.95 -4.08429 -60.95 27.4896 GPRESSAVG: 1088800 -10.7008 13.348 -6.77747 10.1579 -43.2634 -60.2584 -2.48811 -61.299 27.4167 TIMING: 1088800 CPU: 3244.36, 0.00297759/step Wall: 3244.36, 0.00297759/step, 3.23499 hours remaining, 208.250000 MB of memory in use. ENERGY: 1088800 795.9715 2079.8215 1941.1345 110.9250 -206238.0236 17774.0695 0.0000 0.0000 34399.5672 -149136.5344 300.4200 -183536.1017 -149042.7145 298.3178 -1.6217 36.6164 557423.3708 -8.7777 -8.8492 PRESSURE: 1089000 35.7979 200.724 43.1639 200.723 50.4783 94.8291 43.1637 94.8295 -61.3236 GPRESSURE: 1089000 54.0078 174.313 101.458 249.252 104.63 38.3341 -7.53237 131.908 -33.9002 PRESSAVG: 1089000 56.2553 -48.7944 -45.4301 -48.7943 -18.1663 2.96435 -45.4301 2.96431 -7.29973 GPRESSAVG: 1089000 55.947 -48.094 -43.9385 -48.1237 -18.7925 2.43948 -46.3207 3.89438 -6.42667 TIMING: 1089000 CPU: 3244.95, 0.00295893/step Wall: 3244.95, 0.00295893/step, 3.21454 hours remaining, 208.250000 MB of memory in use. ENERGY: 1089000 748.6549 2102.8960 1929.9144 100.0754 -206150.0611 17802.5645 0.0000 0.0000 34308.8811 -149157.0748 299.6280 -183465.9559 -149058.5171 299.0279 8.3175 41.5791 556901.4672 10.2631 10.2426 PRESSURE: 1089200 -353.673 -7.36946 -4.48849 -7.36864 -173.61 162.028 -4.4871 162.027 -73.452 GPRESSURE: 1089200 -325.604 -48.2237 -89.1571 12.5592 -137.445 148.767 -17.1792 205.787 -48.2687 PRESSAVG: 1089200 9.71966 12.0974 -52.0062 12.0973 -12.2289 7.67823 -52.0061 7.67818 -27.9746 GPRESSAVG: 1089200 11.4024 12.8422 -51.1621 10.6715 -13.0538 8.07322 -52.5197 8.30714 -28.6233 TIMING: 1089200 CPU: 3245.54, 0.00295232/step Wall: 3245.54, 0.00295232/step, 3.2072 hours remaining, 208.250000 MB of memory in use. ENERGY: 1089200 742.3703 2097.6072 1928.3155 102.4423 -205796.2553 17431.7422 0.0000 0.0000 34270.8716 -149222.9063 299.2960 -183493.7778 -149126.7538 299.5652 -200.2447 -170.4392 555655.2721 -10.1613 -10.0916 PRESSURE: 1089400 307.401 124.577 187.616 124.576 191.46 -0.555562 187.616 -0.554785 113.91 GPRESSURE: 1089400 344.435 -14.4396 129.934 114.205 209.718 -6.36161 147.148 58.9058 150.826 PRESSAVG: 1089400 32.7797 -1.93633 14.8026 -1.9363 -31.7794 25.2966 14.8026 25.2966 20.0405 GPRESSAVG: 1089400 31.4507 -3.32681 15.1141 1.09096 -30.9733 25.1181 13.9058 26.302 20.4045 TIMING: 1089400 CPU: 3246.14, 0.00297691/step Wall: 3246.14, 0.00297691/step, 3.23375 hours remaining, 208.250000 MB of memory in use. ENERGY: 1089400 778.2621 2047.1053 1934.6956 104.8492 -206689.1385 18136.1715 0.0000 0.0000 34660.4232 -149027.6316 302.6981 -183688.0548 -148927.4214 299.7712 204.2572 234.9928 554820.9188 7.0136 6.9606 PRESSURE: 1089600 -217.534 216.759 -109.564 216.758 -98.4 -78.0882 -109.564 -78.0864 -2.46797 GPRESSURE: 1089600 -194.882 220.765 -65.6897 140.578 -82.1552 -57.5672 -122.637 -103.134 61.4262 PRESSAVG: 1089600 -17.0531 -30.4644 -26.5129 -30.4644 -30.1652 -4.60426 -26.5129 -4.60438 47.0972 GPRESSAVG: 1089600 -16.6921 -30.3214 -27.4371 -32.4525 -29.9378 -5.39312 -27.2585 -4.36298 46.8014 TIMING: 1089600 CPU: 3246.73, 0.00297561/step Wall: 3246.73, 0.00297561/step, 3.23217 hours remaining, 208.250000 MB of memory in use. ENERGY: 1089600 726.2734 2049.0966 1919.7859 122.0599 -206231.2009 17624.4018 0.0000 0.0000 34539.0749 -149250.5085 301.6383 -183789.5834 -149154.1036 300.0113 -106.1341 -71.8704 556675.8675 -0.0404 0.0572 PRESSURE: 1089800 264.507 -100.653 -45.4175 -100.654 189.388 -67.2788 -45.4176 -67.2775 70.3322 GPRESSURE: 1089800 301.52 -94.6194 41.1368 -169.799 216.926 -115.847 -82.9067 14.5654 104.412 PRESSAVG: 1089800 2.61261 7.42668 -5.09395 7.4267 29.3274 -23.7373 -5.09397 -23.7373 -32.1245 GPRESSAVG: 1089800 2.82209 7.55884 -4.84944 7.58008 29.1286 -24.1917 -4.21332 -24.9274 -31.3968 TIMING: 1089800 CPU: 3247.33, 0.00297739/step Wall: 3247.33, 0.00297739/step, 3.23395 hours remaining, 208.250000 MB of memory in use. ENERGY: 1089800 737.2072 2042.7741 1948.9059 118.5484 -206295.6629 17981.0539 0.0000 0.0000 34336.9145 -149130.2590 299.8728 -183467.1735 -149037.7988 299.9337 174.7424 207.6194 555712.5238 -0.0615 0.1846 PRESSURE: 1090000 10.6783 104.359 29.3956 104.359 -348.341 16.3595 29.3956 16.3595 -364.973 GPRESSURE: 1090000 43.8882 54.0026 -18.445 49.8951 -317.437 44.455 -89.7876 -44.1239 -330.629 PRESSAVG: 1090000 15.8922 -12.0751 45.7238 -12.0752 -37.0962 -10.1655 45.7239 -10.1656 38.7584 GPRESSAVG: 1090000 15.9035 -10.6576 45.7396 -12.4632 -36.0462 -10.3138 47.0275 -9.69719 37.2451 TIMING: 1090000 CPU: 3247.93, 0.00302053/step Wall: 3247.93, 0.00302053/step, 3.28063 hours remaining, 208.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1090000 759.9100 2184.1221 1929.3804 112.1450 -205793.8669 17457.1661 0.0000 0.0000 34125.2890 -149225.8542 298.0246 -183351.1432 -149134.5833 299.5722 -234.2119 -201.3924 557773.0902 5.8515 5.7008 PRESSURE: 1090200 -241.304 153.535 39.7346 153.535 -186.27 -41.9842 39.7344 -41.9852 -109.488 GPRESSURE: 1090200 -204.058 241.033 87.7497 83.1604 -175.584 -68.1736 4.73102 37.6428 -54.1321 PRESSAVG: 1090200 38.5204 -9.96535 -0.694427 -9.96538 -42.4675 -9.53813 -0.694441 -9.53824 5.10592 GPRESSAVG: 1090200 38.1099 -10.8415 0.163678 -10.1294 -42.3449 -8.93751 -2.0573 -10.5311 5.27363 TIMING: 1090200 CPU: 3248.53, 0.00296931/step Wall: 3248.53, 0.00296932/step, 3.22484 hours remaining, 208.250000 MB of memory in use. ENERGY: 1090200 752.6206 2080.9171 1951.8365 113.5365 -205942.2440 17621.6167 0.0000 0.0000 34228.7427 -149192.9740 298.9281 -183421.7167 -149092.2223 299.2197 -179.0206 -144.5914 557659.3625 0.3863 0.3462 PRESSURE: 1090400 9.3658 139.656 131.491 139.657 62.7785 -52.4666 131.493 -52.4655 23.7689 GPRESSURE: 1090400 40.8561 117.849 195.914 120.95 42.4184 -74.4994 150.168 -86.3778 114.693 PRESSAVG: 1090400 -6.94395 -17.6309 65.3984 -17.6309 -7.51301 1.55801 65.3984 1.55807 -11.7182 GPRESSAVG: 1090400 -7.07898 -17.1259 65.556 -16.7259 -7.89578 4.65182 64.9921 0.828997 -10.1324 TIMING: 1090400 CPU: 3249.12, 0.00298496/step Wall: 3249.12, 0.00298496/step, 3.24166 hours remaining, 208.250000 MB of memory in use. ENERGY: 1090400 738.0772 2147.6352 1965.2831 120.6612 -206164.5436 17786.7217 0.0000 0.0000 34051.7049 -149354.4603 297.3820 -183406.1652 -149264.9981 298.9784 31.9710 65.9891 557042.8151 -8.7250 -8.3690 PRESSURE: 1090600 241.57 52.7827 -0.72374 52.7833 184.404 -50.1884 -0.724294 -50.1871 -232.302 GPRESSURE: 1090600 260.5 -15.2827 19.834 40.2872 194.39 -41.7793 16.1613 -84.0216 -161.92 PRESSAVG: 1090600 -23.5456 10.5112 86.89 10.5112 -33.535 48.0533 86.8899 48.0534 27.5035 GPRESSAVG: 1090600 -21.8469 10.0698 87.1668 10.0851 -35.1814 45.2232 87.1975 49.1588 27.8708 TIMING: 1090600 CPU: 3249.72, 0.00299408/step Wall: 3249.72, 0.00299408/step, 3.2514 hours remaining, 208.250000 MB of memory in use. ENERGY: 1090600 759.1594 2107.8488 1930.6486 119.2775 -206087.5406 17728.2185 0.0000 0.0000 34171.1792 -149271.2087 298.4254 -183442.3879 -149171.0547 298.8231 64.5573 97.6569 556157.3867 -9.8590 -9.7191 PRESSURE: 1090800 -225.79 7.31753 -62.9258 7.31839 43.4279 -64.9916 -62.9262 -64.9897 0.674442 GPRESSURE: 1090800 -115.3 20.613 -104.558 61.83 29.0447 -59.5223 13.7473 -42.2497 -0.671037 PRESSAVG: 1090800 -1.36852 -1.4687 20.0433 -1.46871 8.28127 46.5732 20.0433 46.5733 12.8763 GPRESSAVG: 1090800 -1.86821 -2.11252 19.8304 -0.159819 8.53548 44.3434 20.2987 47.6451 13.1639 TIMING: 1090800 CPU: 3250.32, 0.00296734/step Wall: 3250.32, 0.00296734/step, 3.22221 hours remaining, 208.386719 MB of memory in use. ENERGY: 1090800 724.2230 2081.1095 1934.5183 116.2508 -206127.7170 17716.9495 0.0000 0.0000 34380.1396 -149174.5264 300.2503 -183554.6660 -149073.2981 299.5899 -60.5627 -28.9755 557661.8289 6.5964 6.6104 PRESSURE: 1091000 215.508 -51.0609 -53.1062 -51.0621 -81.5531 68.0318 -53.1052 68.0322 -68.8921 GPRESSURE: 1091000 258.588 -7.03588 -160.254 -81.6606 -24.1491 135.452 -29.5883 64.2471 -85.6446 PRESSAVG: 1091000 -25.9373 11.0993 -2.79829 11.0994 -20.8816 29.1062 -2.79824 29.1061 15.6588 GPRESSAVG: 1091000 -24.753 12.309 -3.64041 10.2806 -20.0596 32.9313 -3.23616 27.1756 13.3065 TIMING: 1091000 CPU: 3250.91, 0.00297804/step Wall: 3250.91, 0.00297804/step, 3.23366 hours remaining, 208.386719 MB of memory in use. ENERGY: 1091000 752.9252 2070.5812 1968.4481 125.6588 -206274.0694 17901.0309 0.0000 0.0000 34003.6632 -149451.7620 296.9624 -183455.4252 -149358.2454 298.6101 21.6875 49.5983 557673.2648 -10.3867 -10.5020 PRESSURE: 1091200 59.8194 41.9389 -143.356 41.9399 31.9488 -27.6582 -143.358 -27.659 93.2802 GPRESSURE: 1091200 74.4411 65.0182 -183.965 59.4362 37.4149 -8.82144 -142.768 20.7949 154.261 PRESSAVG: 1091200 25.9019 -3.89636 -42.8302 -3.89635 15.3625 10.8014 -42.8301 10.8013 -36.8819 GPRESSAVG: 1091200 23.237 -2.0613 -42.4797 -6.47331 16.1186 9.73665 -42.9975 12.9836 -34.1527 TIMING: 1091200 CPU: 3251.51, 0.00298936/step Wall: 3251.51, 0.00298936/step, 3.24578 hours remaining, 208.386719 MB of memory in use. ENERGY: 1091200 767.5782 2036.3176 1932.8932 105.4086 -206179.3944 17716.5731 0.0000 0.0000 34272.0011 -149348.6226 299.3059 -183620.6237 -149246.0678 299.0141 61.6828 88.7057 556640.9136 1.4608 1.7343 PRESSURE: 1091400 -28.5365 -83.5742 -156.292 -83.5745 -88.3821 0.212774 -156.293 0.212777 188.28 GPRESSURE: 1091400 6.24367 12.2495 -210.049 -134.938 -11.8194 29.1658 -107.896 -43.6062 167.325 PRESSAVG: 1091400 -61.4515 16.3001 -50.8816 16.3 20.3714 -6.36122 -50.8816 -6.36114 35.4876 GPRESSAVG: 1091400 -60.3254 13.5332 -50.6419 19.1292 19.6401 -6.70185 -50.3334 -9.82859 35.288 TIMING: 1091400 CPU: 3252.11, 0.00299038/step Wall: 3252.11, 0.00299038/step, 3.24672 hours remaining, 208.386719 MB of memory in use. ENERGY: 1091400 725.7196 2085.4544 1926.0872 103.4786 -206303.4778 17847.2729 0.0000 0.0000 34043.5082 -149571.9570 297.3104 -183615.4652 -149480.6026 298.9014 23.7872 53.9165 556488.4641 -1.8642 -1.7991 PRESSURE: 1091600 -250.648 183.826 56.3292 183.824 -89.7915 -78.261 56.3297 -78.261 -172.595 GPRESSURE: 1091600 -201.32 259.431 -10.7671 97.6782 -81.478 -71.9653 74.4439 -101.975 -140.377 PRESSAVG: 1091600 -28.4347 5.24955 -5.60168 5.24958 15.6876 -1.66736 -5.60163 -1.66739 55.1142 GPRESSAVG: 1091600 -28.5376 6.48785 -5.04922 3.42854 16.797 -3.97416 -5.51104 2.31064 53.6203 TIMING: 1091600 CPU: 3252.71, 0.00299373/step Wall: 3252.71, 0.00299373/step, 3.25019 hours remaining, 208.386719 MB of memory in use. ENERGY: 1091600 771.1607 2039.4909 1924.9600 100.6340 -206140.0295 17620.5350 0.0000 0.0000 34099.7291 -149583.5198 297.8014 -183683.2489 -149479.7018 298.1431 -171.0115 -141.0585 555886.4943 14.1224 13.9599 PRESSURE: 1091800 229.844 63.9477 48.9336 63.9461 53.1285 -77.3577 48.9326 -77.358 29.8367 GPRESSURE: 1091800 344.611 28.7537 48.9684 59.5587 59.7679 -159.204 127.525 -23.8354 9.3437 PRESSAVG: 1091800 50.3391 -0.58337 1.15027 -0.583324 31.3121 -8.47363 1.15031 -8.47368 -17.9698 GPRESSAVG: 1091800 51.45 -2.41465 -0.181583 0.0749003 31.0444 -6.81995 1.47594 -10.4676 -18.6955 TIMING: 1091800 CPU: 3253.3, 0.00297169/step Wall: 3253.3, 0.00297168/step, 3.22609 hours remaining, 208.386719 MB of memory in use. ENERGY: 1091800 753.0631 2061.0157 1935.6662 105.4805 -206797.9839 18203.8576 0.0000 0.0000 34201.7252 -149537.1756 298.6922 -183738.9007 -149444.2152 298.4803 104.2696 137.9074 557326.6516 21.2271 21.2663 PRESSURE: 1092000 -387.214 41.3645 -21.98 41.364 -37.1911 -123.447 -21.9812 -123.446 130.638 GPRESSURE: 1092000 -328.866 37.5837 5.78279 103.305 0.504849 -86.0244 -85.9542 -141.588 124.321 PRESSAVG: 1092000 15.7941 4.4329 21.9982 4.43293 35.8823 -13.392 21.9981 -13.3921 -34.3739 GPRESSAVG: 1092000 14.2411 6.45538 22.2568 3.42541 36.0112 -12.6107 22.0007 -12.075 -32.6005 TIMING: 1092000 CPU: 3253.89, 0.0029523/step Wall: 3253.89, 0.0029523/step, 3.20489 hours remaining, 208.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1092000 741.4483 2104.6712 1951.2525 114.6493 -206791.7593 18048.5448 0.0000 0.0000 34401.4384 -149429.7547 300.4363 -183831.1931 -149337.3892 299.1681 -97.9222 -68.0133 557393.2059 5.7675 5.8839 PRESSURE: 1092200 28.4311 -41.5125 135.531 -41.5115 273.791 76.6981 135.531 76.6995 22.771 GPRESSURE: 1092200 65.2614 17.4118 110.035 -76.726 297.663 85.8331 89.5338 91.1076 54.1897 PRESSAVG: 1092200 -71.203 -8.01438 13.9761 -8.01431 13.1503 18.4726 13.9761 18.4725 19.6152 GPRESSAVG: 1092200 -72.2885 -9.64456 14.7 -6.80346 14.1259 18.8655 11.8885 18.2184 19.1557 TIMING: 1092200 CPU: 3254.48, 0.00297056/step Wall: 3254.48, 0.00297056/step, 3.22454 hours remaining, 208.386719 MB of memory in use. ENERGY: 1092200 692.7240 2130.7121 1933.9181 107.4718 -206524.8187 18041.4732 0.0000 0.0000 34203.9649 -149414.5546 298.7117 -183618.5194 -149316.5927 299.1997 108.3310 139.0381 557915.9072 -12.8125 -13.0023 LDB: ============= START OF LOAD BALANCING ============== 3258.03 LDB: ============== END OF LOAD BALANCING =============== 3258.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3258.03 LDB: ============= START OF LOAD BALANCING ============== 3258.33 LDB: Largest compute 4773 load 0.026068 is 22.1% of average load 0.118110 LDB: Average compute 0.001731 is 1.5% of average load 0.118110 LDB: TIME 3258.34 LOAD: AVG 0.11811 MAX 0.208141 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 3258.34 LOAD: AVG 0.11811 MAX 0.208141 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: TIME 3258.34 LOAD: AVG 0.11811 MAX 0.208141 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3258.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3258.34 PRESSURE: 1092400 -10.9383 47.1933 2.31539 47.1929 12.3684 15.1892 2.31539 15.1878 174.86 GPRESSURE: 1092400 4.94493 111.947 100.896 8.31055 74.1233 -23.2513 -85.9127 79.0814 185.965 PRESSAVG: 1092400 -48.3556 34.7383 -3.62364 34.7383 9.41434 46.2872 -3.62376 46.2873 32.1575 GPRESSAVG: 1092400 -45.8296 36.4925 -1.36569 33.4417 7.79923 45.8057 -3.16804 45.3756 31.581 TIMING: 1092400 CPU: 3255.09, 0.00303628/step Wall: 3255.09, 0.00303628/step, 3.29571 hours remaining, 207.222656 MB of memory in use. ENERGY: 1092400 752.4543 2097.7706 1946.7941 110.5992 -206446.3379 17803.3124 0.0000 0.0000 34345.2463 -149390.1610 299.9456 -183735.4074 -149296.3059 298.8823 58.7634 88.3443 556632.5504 -2.2612 -2.1498 PRESSURE: 1092600 -109.524 -136.313 85.4659 -136.313 -102.359 -70.7749 85.4642 -70.7758 -200.228 GPRESSURE: 1092600 -104 -76.2233 48.499 -59.2397 -75.6484 0.907153 22.6753 -123.26 -141.486 PRESSAVG: 1092600 22.5555 22.6769 25.3575 22.677 22.1648 1.18739 25.3575 1.18739 3.13486 GPRESSAVG: 1092600 21.8931 21.8239 21.5952 24.0282 22.9247 2.11408 25.1243 0.812765 3.61895 TIMING: 1092600 CPU: 3255.68, 0.00295315/step Wall: 3255.68, 0.00295315/step, 3.20532 hours remaining, 207.425781 MB of memory in use. ENERGY: 1092600 740.6422 2035.3098 1913.9746 98.9407 -206277.0835 17629.6996 0.0000 0.0000 34315.2879 -149543.2287 299.6839 -183858.5166 -149442.7912 298.7684 -137.3702 -107.0448 557786.9953 15.9517 16.1456 PRESSURE: 1092800 -78.3865 1.11621 -50.6457 1.11598 140.305 -131.055 -50.6449 -131.056 37.144 GPRESSURE: 1092800 -20.4027 2.13773 -56.6376 4.01971 171.071 -184.459 -28.8695 -82.8262 45.73 PRESSAVG: 1092800 20.4531 51.0458 -31.8146 51.0458 -13.35 25.8237 -31.8148 25.8236 -53.4004 GPRESSAVG: 1092800 21.514 47.9313 -31.2175 52.1395 -14.83 24.5436 -30.9209 27.7765 -53.6548 TIMING: 1092800 CPU: 3256.28, 0.00298982/step Wall: 3256.28, 0.00298982/step, 3.24495 hours remaining, 207.425781 MB of memory in use. ENERGY: 1092800 734.4387 2046.8365 1943.4463 108.0153 -206664.5006 18085.6790 0.0000 0.0000 34215.5989 -149530.4858 298.8133 -183746.0848 -149433.3873 298.2045 33.0208 65.4662 556434.1650 -15.4324 -15.6569 PRESSURE: 1093000 294.468 -74.8995 55.0807 -74.9001 307.144 -27.0643 55.0806 -27.0646 116.27 GPRESSURE: 1093000 329.054 -60.5136 144.663 -40.0264 330.298 -81.0595 -18.1825 34.7311 144.567 PRESSAVG: 1093000 55.1145 -38.384 63.5415 -38.3839 -10.3602 34.0192 63.5415 34.0194 -13.8756 GPRESSAVG: 1093000 54.219 -35.8263 64.6972 -40.223 -8.15241 35.1478 61.0003 33.5787 -14.9036 TIMING: 1093000 CPU: 3256.88, 0.00300557/step Wall: 3256.88, 0.00300557/step, 3.26188 hours remaining, 207.425781 MB of memory in use. ENERGY: 1093000 741.8569 2110.3259 1890.4440 98.9452 -206775.1484 18287.6553 0.0000 0.0000 34165.7450 -149480.1761 298.3779 -183645.9212 -149383.0042 298.4862 239.2939 267.9727 556661.1781 10.2929 10.3877 PRESSURE: 1093200 -212.715 -26.9148 -124.103 -26.9143 -79.0601 11.2317 -124.103 11.2319 -65.0605 GPRESSURE: 1093200 -212.06 -11.0785 -158.785 -61.2422 -39.3217 71.329 -35.1097 -24.6959 -11.0204 PRESSAVG: 1093200 -28.49 -26.3523 -34.8069 -26.3522 -30.7463 -9.48315 -34.8069 -9.48318 64.2017 GPRESSAVG: 1093200 -27.5936 -27.8319 -34.5576 -25.179 -31.0713 -9.69374 -33.6954 -9.65864 63.458 TIMING: 1093200 CPU: 3257.48, 0.00297076/step Wall: 3257.48, 0.00297076/step, 3.22393 hours remaining, 207.425781 MB of memory in use. ENERGY: 1093200 762.0188 2075.3240 1941.7829 108.5756 -206082.4329 17769.2793 0.0000 0.0000 34076.3176 -149349.1347 297.5970 -183425.4522 -149250.1487 298.3023 -118.9451 -87.4673 559719.9196 1.6551 1.5977 PRESSURE: 1093400 -339.935 129.96 93.3604 129.959 116.625 -59.3694 93.3615 -59.3706 -179.466 GPRESSURE: 1093400 -283.48 133.643 51.3242 169.917 117.771 -43.4853 33.2069 -114.183 -142.063 PRESSAVG: 1093400 -54.8979 -19.5996 -7.5367 -19.5996 -18.0807 -20.159 -7.53671 -20.1589 51.1365 GPRESSAVG: 1093400 -55.0238 -18.4087 -7.02593 -20.4902 -18.8899 -18.6303 -7.21671 -20.8329 52.2239 TIMING: 1093400 CPU: 3258.07, 0.00298521/step Wall: 3258.07, 0.00298521/step, 3.23945 hours remaining, 207.425781 MB of memory in use. ENERGY: 1093400 791.6034 2098.3782 1930.9924 112.8796 -206035.8639 17763.9125 0.0000 0.0000 34195.9770 -149142.1208 298.6420 -183338.0978 -149050.8233 298.0990 -134.2585 -102.5908 560088.7107 -7.2807 -7.2299 PRESSURE: 1093600 -321.712 -26.6095 73.1257 -26.6092 -125.586 -135.122 73.1248 -135.121 51.1156 GPRESSURE: 1093600 -249.211 -61.6365 27.7239 93.2957 -170.69 -83.5044 70.6672 -154.643 109.361 PRESSAVG: 1093600 -11.0773 83.5876 7.80906 83.5876 -13.3184 -5.98041 7.8091 -5.98047 65.4719 GPRESSAVG: 1093600 -10.6827 83.4617 7.41699 84.6228 -13.2112 -7.89584 9.01665 -5.63336 65.0262 TIMING: 1093600 CPU: 3258.68, 0.00301266/step Wall: 3258.68, 0.00301266/step, 3.26907 hours remaining, 207.425781 MB of memory in use. ENERGY: 1093600 741.4999 2082.9202 1921.2158 114.1376 -205889.8661 17715.3371 0.0000 0.0000 34175.4062 -149139.3492 298.4623 -183314.7554 -149038.2584 299.2684 -132.0608 -103.5135 558890.9040 13.6921 13.7108 PRESSURE: 1093800 -210.984 103.533 -18.9896 103.533 -117.676 119.435 -18.9913 119.435 2.22657 GPRESSURE: 1093800 -143.962 86.7018 3.15141 148.156 -156.706 131.195 -57.9208 30.9285 73.6779 PRESSAVG: 1093800 -32.4303 51.1814 -14.3987 51.1815 6.33235 20.1004 -14.3989 20.1005 38.1141 GPRESSAVG: 1093800 -32.7833 50.5084 -15.623 52.0301 6.385 21.1912 -13.7961 21.5396 37.882 TIMING: 1093800 CPU: 3259.28, 0.00300199/step Wall: 3259.28, 0.00300199/step, 3.25732 hours remaining, 207.425781 MB of memory in use. ENERGY: 1093800 749.6686 2096.8778 1919.5556 126.2635 -205985.1784 17633.7846 0.0000 0.0000 34307.5496 -149151.4788 299.6164 -183459.0283 -149050.1569 299.1717 -108.8112 -75.6634 557753.3214 4.0054 3.8279 PRESSURE: 1094000 -262.609 -64.9641 19.3266 -64.9657 -176.467 82.3268 19.3277 82.327 51.5571 GPRESSURE: 1094000 -218.198 2.06342 18.9841 -95.1113 -118.54 30.3306 115.839 -66.4995 56.0212 PRESSAVG: 1094000 27.0035 -6.69344 21.3715 -6.69358 27.3552 23.6075 21.3716 23.6075 -29.0501 GPRESSAVG: 1094000 26.0481 -5.68602 23.2275 -10.0074 28.3802 20.9784 19.3964 22.2721 -29.2213 TIMING: 1094000 CPU: 3259.87, 0.00298592/step Wall: 3259.87, 0.00298592/step, 3.23972 hours remaining, 207.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1094000 753.3290 2118.4925 1933.4079 114.8634 -205811.6050 17529.1080 0.0000 0.0000 34344.9810 -149017.4230 299.9433 -183362.4041 -148917.0603 299.6343 -129.1730 -93.5724 556548.7209 8.4362 8.4023 PRESSURE: 1094200 171.218 20.484 -163.979 20.4836 93.3809 -49.3944 -163.979 -49.3957 0.576035 GPRESSURE: 1094200 194.704 9.56675 -227.894 -34.4851 150.518 -100.432 -139.224 -5.86697 3.99306 PRESSAVG: 1094200 -12.6506 12.0419 -18.0801 12.0419 32.1697 -24.0793 -18.0802 -24.0794 24.8688 GPRESSAVG: 1094200 -11.4183 11.2503 -21.3012 13.0772 31.5287 -22.8214 -18.0464 -22.8024 24.8578 TIMING: 1094200 CPU: 3260.47, 0.00298088/step Wall: 3260.47, 0.00298088/step, 3.23409 hours remaining, 207.425781 MB of memory in use. ENERGY: 1094200 783.3947 2134.0006 1927.0462 106.8975 -206464.8757 18035.1291 0.0000 0.0000 34361.3424 -149117.0651 300.0861 -183478.4075 -149017.5606 299.3998 88.3915 116.4050 555337.4876 14.7960 14.9894 PRESSURE: 1094400 -230.197 51.26 -110.42 51.2608 -89.5007 134.364 -110.42 134.365 -2.76242 GPRESSURE: 1094400 -142.962 131.874 -33.9658 23.0565 -78.4352 59.7207 -192.409 119.191 -6.32373 PRESSAVG: 1094400 37.4846 -56.7261 -1.03703 -56.726 -64.774 13.2238 -1.03692 13.2238 21.8572 GPRESSAVG: 1094400 38.3062 -57.7279 -0.0989268 -56.2625 -66.6735 14.2627 -0.385301 12.6668 22.476 TIMING: 1094400 CPU: 3261.06, 0.00297893/step Wall: 3261.06, 0.00297892/step, 3.2318 hours remaining, 207.425781 MB of memory in use. ENERGY: 1094400 770.2896 2082.1177 1909.8788 119.0998 -206468.9371 17910.5542 0.0000 0.0000 34663.3547 -149013.6423 302.7237 -183676.9971 -148919.7235 299.9048 -107.4867 -75.9070 557791.6125 -1.8108 -1.9638 PRESSURE: 1094600 -134.377 23.9532 73.4279 23.9533 -14.3915 67.6012 73.4281 67.6002 -139.057 GPRESSURE: 1094600 -114.031 98.9412 77.8054 103.342 2.84257 88.2899 112.125 52.4107 -81.9548 PRESSAVG: 1094600 4.68017 -31.72 12.0288 -31.72 1.87353 39.6025 12.0288 39.6024 13.5678 GPRESSAVG: 1094600 4.00587 -32.3009 11.6281 -30.9653 3.27639 39.1668 14.5431 37.0841 12.8182 TIMING: 1094600 CPU: 3261.66, 0.00296745/step Wall: 3261.66, 0.00296745/step, 3.21918 hours remaining, 207.425781 MB of memory in use. ENERGY: 1094600 735.4429 2107.1202 1906.4336 127.0354 -205767.5214 17568.8311 0.0000 0.0000 34066.8918 -149255.7665 297.5146 -183322.6583 -149168.7942 299.6530 -95.9418 -64.3811 557227.9371 6.7072 6.7002 PRESSURE: 1094800 -143.725 -141.295 23.8565 -141.295 -32.8469 30.9539 23.8563 30.9533 115.003 GPRESSURE: 1094800 -89.0238 -121.507 -8.81178 -174.386 33.5773 -43.8296 14.3452 29.6786 77.1202 PRESSAVG: 1094800 -46.1693 18.8502 39.2859 18.8502 29.4978 14.9313 39.2858 14.9314 6.23214 GPRESSAVG: 1094800 -46.6245 20.1606 38.877 17.7466 30.3296 15.4307 38.9319 13.9698 5.96195 TIMING: 1094800 CPU: 3262.26, 0.0030058/step Wall: 3262.26, 0.0030058/step, 3.26062 hours remaining, 207.425781 MB of memory in use. ENERGY: 1094800 737.7458 2044.4001 1908.4831 110.7473 -206371.0316 17920.0299 0.0000 0.0000 34486.9631 -149162.6622 301.1832 -183649.6254 -149053.1369 299.6290 -20.5231 7.2246 557208.8017 -3.4798 -3.4443 PRESSURE: 1095000 -91.9625 -73.3798 -147.26 -73.3795 40.4226 -150.658 -147.26 -150.657 -61.5225 GPRESSURE: 1095000 -67.7967 -151.027 -156.002 -36.6583 77.7075 -153.197 -117.186 -66.5379 -22.412 PRESSAVG: 1095000 49.8429 -4.09651 -3.14372 -4.09647 -23.9509 11.6876 -3.14381 11.6875 37.0602 GPRESSAVG: 1095000 50.3417 -5.19081 -1.80557 -2.95508 -25.0315 9.85572 -6.41765 15.5178 38.2525 TIMING: 1095000 CPU: 3262.86, 0.00300646/step Wall: 3262.86, 0.00300646/step, 3.26118 hours remaining, 207.425781 MB of memory in use. ENERGY: 1095000 753.5449 2041.3615 1967.9328 110.4128 -206102.6555 17805.3849 0.0000 0.0000 34094.7147 -149329.3039 297.7576 -183424.0185 -149235.2023 299.0056 -37.6875 -4.1671 556594.7710 20.9840 21.1876 PRESSURE: 1095200 82.4219 -35.1095 8.68365 -35.1085 -134.757 70.5553 8.68244 70.5564 -43.7122 GPRESSURE: 1095200 111.766 -83.3296 39.7223 -5.43484 -106.159 45.6964 -42.9341 78.2148 2.445 PRESSAVG: 1095200 -19.0433 6.16757 3.51884 6.1676 -92.0386 7.27216 3.51896 7.27225 84.6397 GPRESSAVG: 1095200 -20.1211 6.75416 3.41244 5.68953 -89.9943 7.75121 5.78625 6.86716 83.5206 TIMING: 1095200 CPU: 3263.46, 0.00298774/step Wall: 3263.46, 0.00298774/step, 3.2407 hours remaining, 207.425781 MB of memory in use. ENERGY: 1095200 719.6264 2095.5522 1912.0455 100.9011 -205941.0910 17762.4263 0.0000 0.0000 34240.4075 -149110.1320 299.0300 -183350.5395 -149014.0143 298.9993 -32.0157 2.6842 558567.2390 -8.8141 -8.8649 PRESSURE: 1095400 -413.165 -137.156 -69.7737 -137.156 -117.681 122.377 -69.7751 122.378 -161.858 GPRESSURE: 1095400 -441.864 -139.69 -55.9802 -116.776 -73.6902 138.956 -91.3028 96.0344 -73.7578 PRESSAVG: 1095400 22.7753 -17.7248 39.7706 -17.7247 -19.6734 12.137 39.7706 12.1369 -11.433 GPRESSAVG: 1095400 24.0182 -18.1897 40.4005 -17.6798 -21.5301 14.1588 37.438 9.48388 -10.3379 TIMING: 1095400 CPU: 3264.06, 0.0029891/step Wall: 3264.06, 0.0029891/step, 3.24201 hours remaining, 207.425781 MB of memory in use. ENERGY: 1095400 759.7325 2090.6399 1920.9524 113.3503 -206019.4764 17688.5322 0.0000 0.0000 34325.8630 -149120.4061 299.7763 -183446.2691 -149028.5390 298.8339 -230.9011 -196.4373 559135.3020 -2.7770 -2.6166 PRESSURE: 1095600 -72.1457 -109.39 137.696 -109.391 -284.677 -60.609 137.698 -60.6103 -154.492 GPRESSURE: 1095600 -94.0854 -162.767 109.938 -61.6984 -205.866 -39.6127 128.929 -118.498 -117.387 PRESSAVG: 1095600 39.2648 -40.1707 24.0987 -40.1706 -29.4774 28.6295 24.0988 28.6294 6.34443 GPRESSAVG: 1095600 38.6906 -37.848 21.0283 -41.1284 -29.004 27.9436 25.1017 30.116 6.60989 TIMING: 1095600 CPU: 3264.65, 0.00296786/step Wall: 3264.65, 0.00296786/step, 3.2188 hours remaining, 207.425781 MB of memory in use. ENERGY: 1095600 714.0105 2095.3696 1945.8905 118.5476 -206080.8130 17611.4739 0.0000 0.0000 34385.2201 -149210.3007 300.2947 -183595.5208 -149106.0278 299.4924 -170.4383 -139.1129 557400.4299 5.3773 5.4321 PRESSURE: 1095800 233.945 201.836 102.467 201.837 -100.821 -110.455 102.468 -110.456 -86.5995 GPRESSURE: 1095800 229.594 155.408 158.616 275.545 -88.4292 -3.98197 100.041 -171.085 -10.103 PRESSAVG: 1095800 14.9724 30.0023 53.7311 30.0023 -16.4136 37.0688 53.7311 37.0689 10.8697 GPRESSAVG: 1095800 15.03 28.9534 55.0678 32.3495 -16.5018 33.8228 54.0972 38.9959 10.9032 TIMING: 1095800 CPU: 3265.24, 0.00295036/step Wall: 3265.24, 0.00295036/step, 3.19966 hours remaining, 207.425781 MB of memory in use. ENERGY: 1095800 728.3236 2050.5010 1940.8589 106.2732 -206302.9019 17858.0042 0.0000 0.0000 34360.9822 -149257.9589 300.0830 -183618.9411 -149154.7274 299.3800 15.5082 43.6873 557201.6603 3.1428 3.1438 PRESSURE: 1096000 63.5646 37.2305 175.895 37.2297 -73.5216 50.0037 175.895 50.0026 -122.668 GPRESSURE: 1096000 83.4685 83.5166 125.878 4.92403 -40.841 79.5634 161.441 -7.02628 -73.0035 PRESSAVG: 1096000 -28.4111 -10.0208 12.0835 -10.0207 -36.9359 -8.44293 12.0834 -8.44298 55.7408 GPRESSAVG: 1096000 -29.4708 -9.34031 13.5011 -11.807 -36.0902 -6.81665 11.671 -10.6185 56.3703 TIMING: 1096000 CPU: 3265.83, 0.00296542/step Wall: 3265.83, 0.00296542/step, 3.21583 hours remaining, 207.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1096000 730.3062 2080.7029 1914.9507 116.0536 -206117.7004 17858.3572 0.0000 0.0000 34089.6451 -149327.6848 297.7133 -183417.3299 -149234.4197 298.6786 -44.2083 -10.1254 558295.6710 -3.2020 -3.0636 PRESSURE: 1096200 -403.225 -3.41424 -53.7575 -3.41325 -98.8543 -82.5937 -53.7565 -82.5934 -272.575 GPRESSURE: 1096200 -380.221 -31.0001 -113.904 46.7281 -62.3898 -110.081 -17.5957 -69.0809 -231.842 PRESSAVG: 1096200 -9.74476 12.1487 2.86539 12.1487 0.405082 -35.2896 2.86538 -35.2897 34.0869 GPRESSAVG: 1096200 -8.8144 12.8443 1.83436 12.0843 1.16085 -33.7681 3.16644 -36.8189 32.8392 TIMING: 1096200 CPU: 3266.43, 0.0029657/step Wall: 3266.43, 0.0029657/step, 3.21597 hours remaining, 207.425781 MB of memory in use. ENERGY: 1096200 765.6705 2125.7170 1906.4559 98.4845 -206380.1466 17758.0047 0.0000 0.0000 34373.0748 -149352.7392 300.1886 -183725.8140 -149257.6674 299.3264 -258.2184 -224.8177 558692.8293 8.2491 8.3952 LDB: ============= START OF LOAD BALANCING ============== 3269.97 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3269.97 LDB: =============== DONE WITH MIGRATION ================ 3269.97 LDB: ============= START OF LOAD BALANCING ============== 3270.27 LDB: Largest compute 4773 load 0.027955 is 23.7% of average load 0.118157 LDB: Average compute 0.001728 is 1.5% of average load 0.118157 LDB: TIME 3270.27 LOAD: AVG 0.118157 MAX 0.204965 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 3270.27 LOAD: AVG 0.118157 MAX 0.204965 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.281 MB LDB: TIME 3270.27 LOAD: AVG 0.118157 MAX 0.204965 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.281 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3270.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3270.28 PRESSURE: 1096400 -306.371 51.919 30.9393 51.9197 -108.686 -86.369 30.9388 -86.368 -162.886 GPRESSURE: 1096400 -298.949 49.6024 129.08 62.7469 -93.884 -92.3147 2.97378 -123.05 -92.0975 PRESSAVG: 1096400 -78.4059 -34.0598 -14.4764 -34.0598 55.9517 -10.1247 -14.4764 -10.1247 3.61062 GPRESSAVG: 1096400 -78.3698 -36.6508 -14.546 -34.3001 54.3633 -9.21212 -12.7475 -10.2883 4.72404 TIMING: 1096400 CPU: 3267.03, 0.00302022/step Wall: 3267.03, 0.00302022/step, 3.27493 hours remaining, 206.132812 MB of memory in use. ENERGY: 1096400 782.7335 2117.7876 1915.1414 107.9071 -206519.8549 17706.8649 0.0000 0.0000 34218.1647 -149671.2556 298.8357 -183889.4204 -149576.3791 299.2973 -192.6477 -161.6435 558549.7414 -6.2812 -6.4275 PRESSURE: 1096600 -80.5669 71.6637 7.46536 71.665 -55.9112 -20.6207 7.46532 -20.6203 -267.934 GPRESSURE: 1096600 -72.9407 -10.2627 -16.3554 95.9287 -3.56017 -21.5996 -5.58817 123.151 -228.27 PRESSAVG: 1096600 -75.7353 20.7698 48.7054 20.7697 79.8031 -40.2771 48.7054 -40.277 29.809 GPRESSAVG: 1096600 -76.1128 20.1873 48.9936 21.7292 80.6684 -40.6825 47.6453 -39.3366 29.4167 TIMING: 1096600 CPU: 3267.63, 0.00298621/step Wall: 3267.63, 0.00298621/step, 3.23788 hours remaining, 206.132812 MB of memory in use. ENERGY: 1096600 757.4853 2056.3210 1914.8841 113.7738 -206565.6334 17814.4342 0.0000 0.0000 34071.7329 -149837.0020 297.5569 -183908.7348 -149742.0110 298.5108 -134.8039 -101.5905 557133.1224 11.2923 11.3241 PRESSURE: 1096800 -157.94 219.351 -109.403 219.351 -300.802 86.0392 -109.403 86.0382 -127.609 GPRESSURE: 1096800 -184.089 211.645 -63.2268 188.83 -261.165 75.3506 -77.718 122.251 -42.3469 PRESSAVG: 1096800 -12.7086 33.5829 -24.8839 33.583 -7.83905 9.63629 -24.8839 9.63625 -18.6204 GPRESSAVG: 1096800 -11.6769 35.4826 -23.4422 32.3179 -8.76985 9.42893 -26.02 11.386 -18.6938 TIMING: 1096800 CPU: 3268.22, 0.00298617/step Wall: 3268.22, 0.00298617/step, 3.23767 hours remaining, 206.132812 MB of memory in use. ENERGY: 1096800 755.4469 2039.4874 1953.1582 106.0999 -206409.5799 17673.2834 0.0000 0.0000 34047.9249 -149834.1793 297.3490 -183882.1042 -149733.8020 297.4266 -195.4503 -162.5335 557739.2311 -13.0560 -13.0469 PRESSURE: 1097000 -82.2411 -36.1412 53.4564 -36.1418 136.204 143.038 53.4573 143.038 123.046 GPRESSURE: 1097000 -35.4762 -45.7586 139.4 -79.1155 127.133 41.4711 33.6245 207.711 193.319 PRESSAVG: 1097000 -2.52671 26.1952 12.2758 26.1952 53.1738 13.2129 12.2758 13.2129 -66.9055 GPRESSAVG: 1097000 -3.0632 24.5888 11.4984 28.6903 54.1849 15.0128 14.5836 11.2 -67.3077 TIMING: 1097000 CPU: 3268.82, 0.00299426/step Wall: 3268.82, 0.00299426/step, 3.24628 hours remaining, 206.132812 MB of memory in use. ENERGY: 1097000 720.0847 2092.3407 1905.9872 108.8711 -206952.4514 18062.6751 0.0000 0.0000 34222.8729 -149839.6197 298.8769 -184062.4926 -149739.9186 297.6013 59.0031 94.9920 557007.3522 -5.4195 -5.3953 PRESSURE: 1097200 -141.337 -10.6759 113.747 -10.6749 -371.492 -41.195 113.747 -41.1961 100.712 GPRESSURE: 1097200 -139.743 -86.4966 201.645 -30.589 -348.931 -32.4945 34.9776 0.928332 178.361 PRESSAVG: 1097200 81.5237 12.1845 -24.1306 12.1845 -43.3269 66.2934 -24.1306 66.2933 -26.6569 GPRESSAVG: 1097200 83.0142 12.5751 -22.9784 9.8435 -44.101 63.8054 -27.0884 66.6135 -27.1761 TIMING: 1097200 CPU: 3269.42, 0.00300578/step Wall: 3269.42, 0.00300578/step, 3.2586 hours remaining, 206.132812 MB of memory in use. ENERGY: 1097200 752.8193 2083.8372 1910.5354 116.2916 -206316.0693 17828.6436 0.0000 0.0000 33972.4177 -149651.5244 296.6896 -183623.9421 -149553.3313 297.4710 -137.3723 -103.4374 557374.0989 3.8466 3.9124 PRESSURE: 1097400 -197.556 -123.855 -29.0207 -123.854 391.723 -31.7071 -29.0214 -31.7085 -190.53 GPRESSURE: 1097400 -194.235 -17.6395 9.53432 -122.282 420.05 64.93 -80.256 -96.8893 -126.152 PRESSAVG: 1097400 -1.63431 -0.859167 15.0762 -0.859179 -60.2169 17.0261 15.0762 17.0261 62.0283 GPRESSAVG: 1097400 -3.12735 0.96265 14.7479 -1.67644 -59.8202 16.739 17.9335 15.1821 62.5737 TIMING: 1097400 CPU: 3270.02, 0.00298116/step Wall: 3270.02, 0.00298116/step, 3.23174 hours remaining, 206.132812 MB of memory in use. ENERGY: 1097400 731.3031 2076.2785 1944.0584 122.2976 -206504.5483 17885.0506 0.0000 0.0000 34140.3395 -149605.2206 298.1561 -183745.5601 -149501.8409 297.5371 1.2124 33.2212 557501.7417 0.0590 -0.1246 PRESSURE: 1097600 12.8671 26.1783 -147.83 26.1779 -221.797 36.0778 -147.83 36.0797 -10.3668 GPRESSURE: 1097600 35.6197 20.2058 -131.83 51.7396 -187.08 -25.7255 -149.567 23.2063 40.3641 PRESSAVG: 1097600 -27.0487 2.63878 21.4696 2.63878 2.66178 9.03567 21.4697 9.03569 -2.8087 GPRESSAVG: 1097600 -27.02 2.56269 21.3917 3.60197 2.4246 9.80817 20.9766 9.62584 -2.30063 TIMING: 1097600 CPU: 3270.62, 0.00299346/step Wall: 3270.62, 0.00299347/step, 3.24492 hours remaining, 206.132812 MB of memory in use. ENERGY: 1097600 768.4592 2078.4976 1919.5682 110.1656 -206718.6717 17888.1946 0.0000 0.0000 34392.2322 -149561.5544 300.3559 -183953.7866 -149467.3525 298.2877 -73.0990 -37.0320 557493.7391 -9.0652 -8.9654 PRESSURE: 1097800 -11.7174 54.6812 -64.0506 54.6808 -18.3977 52.7908 -64.052 52.7912 211.233 GPRESSURE: 1097800 15.2178 84.8608 -132.651 22.6976 -2.0699 9.59283 19.3759 13.5268 259.002 PRESSAVG: 1097800 41.9536 -13.7647 -12.8932 -13.7647 -30.2057 21.8992 -12.8932 21.8993 50.4544 GPRESSAVG: 1097800 42.6529 -16.0876 -12.6774 -12.5121 -30.787 21.4059 -12.4634 20.6622 49.6983 TIMING: 1097800 CPU: 3271.22, 0.00298012/step Wall: 3271.22, 0.00298012/step, 3.23028 hours remaining, 206.132812 MB of memory in use. ENERGY: 1097800 728.6784 2124.8686 1926.6603 112.2931 -206143.9945 17831.7818 0.0000 0.0000 34053.5313 -149366.1810 297.3980 -183419.7124 -149272.4796 299.4474 60.3726 90.7167 556810.8184 20.7341 20.5214 PRESSURE: 1098000 40.6946 -33.99 -77.756 -33.9895 -16.8761 -131.966 -77.7544 -131.966 -67.8152 GPRESSURE: 1098000 64.6723 -54.0219 -42.6707 -104.421 -17.891 -103.003 -87.4111 -103.214 -10.8154 PRESSAVG: 1098000 -5.58641 14.1629 -15.7774 14.1628 42.3307 -22.9947 -15.7773 -22.9947 9.26112 GPRESSAVG: 1098000 -5.15365 15.9437 -16.0035 13.0563 43.3255 -24.2295 -16.148 -19.2729 8.06156 TIMING: 1098000 CPU: 3271.81, 0.00295675/step Wall: 3271.81, 0.00295675/step, 3.20479 hours remaining, 206.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1098000 766.6174 2046.3994 1907.8465 110.7591 -206367.8363 17834.4162 0.0000 0.0000 34265.0117 -149436.7859 299.2449 -183701.7976 -149332.8564 299.0545 -14.6655 11.9886 557345.4143 15.3351 15.4111 PRESSURE: 1098200 -156.88 -121.665 14.0917 -121.665 -95.1583 -58.0854 14.0905 -58.086 -199.995 GPRESSURE: 1098200 -84.8748 -85.3312 68.3736 -140.393 -114.832 -95.9741 -31.7755 -28.5532 -157.114 PRESSAVG: 1098200 -37.585 -13.324 -34.4598 -13.324 71.4858 -7.48094 -34.4597 -7.48085 -102.722 GPRESSAVG: 1098200 -38.4785 -14.4464 -33.8146 -13.7056 71.7833 -6.55523 -36.1473 -7.727 -102.21 TIMING: 1098200 CPU: 3272.4, 0.00298142/step Wall: 3272.4, 0.00298142/step, 3.23137 hours remaining, 206.132812 MB of memory in use. ENERGY: 1098200 713.9181 2111.5958 1886.2550 112.5778 -205838.4920 17586.7623 0.0000 0.0000 34068.3850 -149358.9980 297.5277 -183427.3830 -149262.3144 298.4482 -150.6776 -118.9403 559220.1975 -22.9404 -22.9683 PRESSURE: 1098400 52.7754 66.1894 11.3724 66.1886 -37.6911 -119.532 11.3726 -119.533 289.742 GPRESSURE: 1098400 73.7731 5.96276 5.17443 -20.2597 24.3022 -167.235 -35.9072 -170.719 316.626 PRESSAVG: 1098400 5.70636 14.8737 35.5831 14.8737 -32.6958 -44.0157 35.5831 -44.0156 28.3771 GPRESSAVG: 1098400 5.96512 15.0222 32.9472 16.0035 -33.3045 -45.6914 34.8424 -43.8427 28.5191 TIMING: 1098400 CPU: 3272.99, 0.00294465/step Wall: 3272.99, 0.00294465/step, 3.19134 hours remaining, 206.132812 MB of memory in use. ENERGY: 1098400 730.4922 2120.4117 1910.1875 114.4680 -206428.1407 17936.5668 0.0000 0.0000 34117.1076 -149498.9070 297.9532 -183616.0146 -149399.6825 298.7106 101.6087 138.2338 556673.7128 0.4626 0.3932 PRESSURE: 1098600 294.437 -195.821 59.5233 -195.821 -95.0112 -17.4956 59.5233 -17.4945 41.0154 GPRESSURE: 1098600 375.491 -165.654 185.218 -189.1 -72.8416 -7.53434 -57.5965 0.0027109 40.0548 PRESSAVG: 1098600 -18.6974 -0.536725 68.5492 -0.53663 -16.6521 13.4283 68.5492 13.4282 37.8032 GPRESSAVG: 1098600 -19.4586 0.00867394 68.595 -0.867359 -16.2483 15.5368 71.1379 12.0887 37.6291 TIMING: 1098600 CPU: 3273.58, 0.00295883/step Wall: 3273.58, 0.00295883/step, 3.20655 hours remaining, 206.132812 MB of memory in use. ENERGY: 1098600 715.1719 2147.7253 1936.0736 124.2674 -206227.6390 17674.2171 0.0000 0.0000 34296.4750 -149333.7085 299.5196 -183630.1835 -149229.5017 299.4121 80.1471 114.2348 556287.9683 0.8179 0.6408 PRESSURE: 1098800 96.427 100.08 176.033 100.08 -72.4578 -44.4829 176.034 -44.4834 4.37385 GPRESSURE: 1098800 124.138 129.962 221.102 200.168 -40.5947 7.66689 127.549 -55.2304 44.9688 PRESSAVG: 1098800 28.9998 2.33582 14.6006 2.33587 56.8142 -39.2426 14.6007 -39.2427 -33.7916 GPRESSAVG: 1098800 28.2109 3.71312 18.06 2.26929 56.7255 -38.9287 13.5471 -38.6408 -32.9126 TIMING: 1098800 CPU: 3274.18, 0.00297734/step Wall: 3274.18, 0.00297734/step, 3.22645 hours remaining, 206.132812 MB of memory in use. ENERGY: 1098800 775.9518 2100.5133 1926.2463 112.8145 -206380.1372 17863.0086 0.0000 0.0000 34319.6031 -149281.9996 299.7216 -183601.6027 -149192.4916 299.3985 9.4477 42.8374 556772.4065 17.3408 17.3413 PRESSURE: 1099000 -273.643 93.1395 -109.367 93.1382 131.159 18.4099 -109.367 18.412 142.101 GPRESSURE: 1099000 -214.652 17.7835 -143.675 66.801 160.484 34.364 -74.3372 -0.637265 157.732 PRESSAVG: 1099000 21.0729 42.4786 26.856 42.4787 10.6001 -22.7208 26.8561 -22.7208 -35.2642 GPRESSAVG: 1099000 20.852 42.7346 25.763 42.4074 11.2586 -23.465 25.7927 -23.1894 -35.9961 TIMING: 1099000 CPU: 3274.77, 0.00296429/step Wall: 3274.77, 0.00296429/step, 3.21214 hours remaining, 206.132812 MB of memory in use. ENERGY: 1099000 752.9252 2096.9024 1922.7529 109.8701 -206260.3462 17806.2712 0.0000 0.0000 34347.5751 -149224.0492 299.9659 -183571.6243 -149119.0370 298.8606 -0.1274 34.5214 556248.0085 -1.1971 -1.2951 PRESSURE: 1099200 -185.601 75.9826 58.4424 75.9821 -138.765 -29.9764 58.4437 -29.9746 -199.76 GPRESSURE: 1099200 -159.283 -19.5396 41.6654 109.552 -134.282 -8.01092 123.088 -29.1033 -141.179 PRESSAVG: 1099200 -99.925 -27.535 -13.7463 -27.5349 26.351 -17.828 -13.7463 -17.828 59.9843 GPRESSAVG: 1099200 -99.2412 -29.528 -14.4789 -26.0347 24.9455 -15.3137 -12.3202 -19.162 60.489 TIMING: 1099200 CPU: 3275.37, 0.0029961/step Wall: 3275.37, 0.0029961/step, 3.24644 hours remaining, 206.132812 MB of memory in use. ENERGY: 1099200 760.8093 2101.5744 1922.5925 117.4844 -205971.9774 17472.7743 0.0000 0.0000 34372.6231 -149224.1193 300.1847 -183596.7424 -149122.3024 299.3902 -174.7089 -144.9147 556461.4355 -4.5299 -4.6022 PRESSURE: 1099400 105.568 15.8525 112.095 15.8519 209.751 -67.3442 112.095 -67.3426 327.17 GPRESSURE: 1099400 114.408 54.0359 105.882 33.5913 253.451 -113.784 120.422 2.91313 361.908 PRESSAVG: 1099400 43.0839 44.2411 4.87458 44.2412 -68.0507 0.870589 4.87459 0.870598 68.4635 GPRESSAVG: 1099400 43.6426 44.3129 5.35606 45.1361 -67.914 -1.5468 3.88345 2.95408 67.5348 TIMING: 1099400 CPU: 3275.97, 0.00297875/step Wall: 3275.97, 0.00297875/step, 3.22748 hours remaining, 206.132812 MB of memory in use. ENERGY: 1099400 748.9688 2101.3561 1917.2379 117.9152 -206767.4235 18172.6756 0.0000 0.0000 34338.8225 -149370.4475 299.8895 -183709.2700 -149271.2245 299.1400 214.1629 243.2556 557694.6912 14.4989 14.4211 PRESSURE: 1099600 212.891 -30.5157 -7.11885 -30.5154 162.723 47.9937 -7.11834 47.9954 167.884 GPRESSURE: 1099600 256.746 11.5868 -14.3135 -43.2151 182.259 69.4001 -45.3796 -10.4538 196.905 PRESSAVG: 1099600 -32.2648 -39.5013 71.353 -39.5013 6.62065 -26.918 71.353 -26.918 51.1755 GPRESSAVG: 1099600 -34.0735 -35.9282 69.2951 -43.4564 6.50326 -28.2072 73.4183 -25.3473 52.8936 TIMING: 1099600 CPU: 3276.56, 0.0029775/step Wall: 3276.56, 0.0029775/step, 3.22596 hours remaining, 206.132812 MB of memory in use. ENERGY: 1099600 741.1940 2085.6803 1921.8413 114.1136 -206424.0480 18102.6356 0.0000 0.0000 34199.4830 -149259.1001 298.6726 -183458.5831 -149165.6484 298.9045 181.1661 211.9702 556596.3906 8.5104 8.4411 PRESSURE: 1099800 23.2312 -60.3173 135.355 -60.3174 -62.4327 41.2245 135.355 41.2241 234.734 GPRESSURE: 1099800 33.6633 -31.2609 65.0114 -41.7521 -16.0359 58.563 170.227 31.2041 283.927 PRESSAVG: 1099800 -18.9399 -23.8046 74.2263 -23.8045 47.1654 14.3321 74.2263 14.3324 17.3892 GPRESSAVG: 1099800 -18.0804 -25.3399 77.1888 -22.5919 46.3108 16.3397 70.4571 11.6744 17.8202 TIMING: 1099800 CPU: 3277.16, 0.00297975/step Wall: 3277.16, 0.00297975/step, 3.22822 hours remaining, 206.132812 MB of memory in use. ENERGY: 1099800 685.3140 2094.5569 1904.6431 118.0038 -206573.0920 18122.6538 0.0000 0.0000 34346.4214 -149301.4989 299.9558 -183647.9203 -149199.6209 298.8861 65.1774 100.5181 558766.9524 15.2049 15.3502 PRESSURE: 1100000 101.53 -96.2605 190.288 -96.262 -30.79 -72.1271 190.288 -72.1273 -63.7507 GPRESSURE: 1100000 84.5222 -7.48154 49.9025 -57.5003 49.3314 -50.5358 251.887 -145.982 -28.7683 PRESSAVG: 1100000 -80.9284 -31.8134 73.4295 -31.8135 14.4311 11.7936 73.4295 11.7935 29.823 GPRESSAVG: 1100000 -81.3377 -32.1407 71.2737 -31.2023 14.9928 10.7181 74.842 13.533 28.5875 TIMING: 1100000 CPU: 3277.76, 0.0029831/step Wall: 3277.76, 0.0029831/step, 3.23169 hours remaining, 206.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1100000 729.1664 2073.1488 1928.4239 114.0251 -206045.9691 17632.3288 0.0000 0.0000 34193.0611 -149375.8148 298.6165 -183568.8760 -149277.2462 299.1561 2.3298 35.0284 558814.7120 -12.2248 -12.5858 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1100000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 1100000 WRITING COORDINATES TO RESTART FILE AT STEP 1100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1100200 138.971 -55.2555 -51.6523 -55.2541 -130.771 63.2104 -51.6524 63.2111 -454.18 GPRESSURE: 1100200 130.366 4.8858 -83.2981 -163.637 -75.9484 36.8322 -61.2751 22.5291 -410.468 PRESSAVG: 1100200 7.04316 -21.1135 -15.9073 -21.1135 13.2556 19.4299 -15.9073 19.4299 -15.1003 GPRESSAVG: 1100200 6.9762 -21.3918 -14.7298 -21.9107 14.2227 18.3149 -13.9645 18.8962 -15.4895 TIMING: 1100200 CPU: 3278.37, 0.00305367/step Wall: 3278.37, 0.00305367/step, 3.30797 hours remaining, 206.132812 MB of memory in use. ENERGY: 1100200 720.3598 2087.7226 1931.0883 108.2540 -206040.6544 17552.3069 0.0000 0.0000 34311.1497 -149329.7732 299.6478 -183640.9229 -149235.2657 299.1788 -148.6602 -118.6833 557380.5839 1.7328 1.9031 LDB: ============= START OF LOAD BALANCING ============== 3281.91 LDB: ============== END OF LOAD BALANCING =============== 3281.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3281.92 LDB: ============= START OF LOAD BALANCING ============== 3282.22 LDB: Largest compute 4796 load 0.029382 is 24.9% of average load 0.118223 LDB: Average compute 0.001730 is 1.5% of average load 0.118223 LDB: TIME 3282.22 LOAD: AVG 0.118223 MAX 0.211689 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.926 MB LDB: TIME 3282.22 LOAD: AVG 0.118223 MAX 0.211689 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.125 MB LDB: TIME 3282.22 LOAD: AVG 0.118223 MAX 0.211689 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.125 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3282.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3282.22 PRESSURE: 1100400 73.0702 101.136 -24.8958 101.136 152.629 112.777 -24.895 112.778 -64.3213 GPRESSURE: 1100400 97.8154 114.988 74.5865 98.9999 216.877 166.205 31.5376 32.6084 -43.5362 PRESSAVG: 1100400 17.1577 -42.3691 -30.9296 -42.3691 25.4842 -0.816655 -30.9295 -0.816758 -40.7654 GPRESSAVG: 1100400 18.4549 -42.4358 -30.5034 -42.9188 24.7497 0.713881 -30.9854 -1.83039 -41.3876 TIMING: 1100400 CPU: 3278.98, 0.00304723/step Wall: 3278.98, 0.00304723/step, 3.30082 hours remaining, 207.789062 MB of memory in use. ENERGY: 1100400 724.9379 2108.8747 1920.1670 114.5142 -206858.0990 18026.0486 0.0000 0.0000 34591.9556 -149371.6010 302.1002 -183963.5566 -149277.1841 299.5067 53.7925 90.3853 555714.4129 0.6255 0.6056 PRESSURE: 1100600 -7.69823 104.975 134.074 104.975 -92.7525 64.679 134.075 64.6796 -236.638 GPRESSURE: 1100600 -46.5036 78.8049 113.199 95.0229 8.29687 77.6021 69.2654 64.7878 -196.258 PRESSAVG: 1100600 18.713 37.3615 -18.7046 37.3616 37.9311 12.6213 -18.7045 12.6212 -49.7175 GPRESSAVG: 1100600 18.3574 37.0228 -18.6554 39.0645 36.8284 12.3436 -19.2909 14.7292 -48.2223 TIMING: 1100600 CPU: 3279.57, 0.00297483/step Wall: 3279.57, 0.00297483/step, 3.22224 hours remaining, 207.789062 MB of memory in use. ENERGY: 1100600 766.2616 2072.6516 1962.4826 103.2406 -206241.4566 17574.7692 0.0000 0.0000 34333.0445 -149429.0065 299.8390 -183762.0510 -149340.3119 299.8143 -112.3627 -78.1549 555868.9559 2.3089 2.3211 PRESSURE: 1100800 -18.8758 154.297 235.272 154.297 -34.8412 -92.6302 235.273 -92.631 227.129 GPRESSURE: 1100800 20.3466 269.067 176.062 73.5324 16.1058 -121.434 181.948 -14.1342 252.822 PRESSAVG: 1100800 -31.0968 14.4662 -6.49845 14.4661 7.30996 37.1107 -6.49844 37.1108 48.5795 GPRESSAVG: 1100800 -30.353 16.0075 -8.88433 12.9757 7.96252 39.55 -4.95727 34.9089 47.409 TIMING: 1100800 CPU: 3280.16, 0.00296365/step Wall: 3280.16, 0.00296365/step, 3.20996 hours remaining, 207.789062 MB of memory in use. ENERGY: 1100800 755.5903 2085.9826 1900.4448 110.5950 -206043.4222 17683.8472 0.0000 0.0000 34239.1564 -149267.8059 299.0191 -183506.9624 -149167.8496 299.4403 57.8041 96.4248 555980.5816 8.2642 8.3395 PRESSURE: 1101000 -78.7647 47.7226 153.922 47.722 -353.316 -121.396 153.922 -121.395 -120.851 GPRESSURE: 1101000 -5.61954 54.216 149.788 -28.8485 -332.548 -76.2327 206.046 -56.1712 -111.63 PRESSAVG: 1101000 -15.9236 -15.4271 34.2243 -15.427 -45.6396 -13.2097 34.2243 -13.2096 34.7318 GPRESSAVG: 1101000 -17.0974 -12.7575 37.6819 -15.6743 -45.976 -13.8135 30.9322 -13.3699 36.2765 TIMING: 1101000 CPU: 3280.76, 0.00297266/step Wall: 3280.76, 0.00297266/step, 3.21955 hours remaining, 207.789062 MB of memory in use. ENERGY: 1101000 736.9542 2029.7365 1899.9590 118.5404 -205738.4990 17543.1118 0.0000 0.0000 34339.2890 -149070.9081 299.8936 -183410.1971 -148969.9721 299.8363 -184.3107 -149.9327 557403.4246 -8.9438 -8.9323 PRESSURE: 1101200 -0.226746 -153.884 -192.335 -153.886 32.5453 -78.9293 -192.335 -78.9313 -39.3715 GPRESSURE: 1101200 3.71945 -202.226 -140.418 -183.673 92.1372 -94.0617 -259.769 -89.9188 -3.17356 PRESSAVG: 1101200 25.0237 -72.5329 45.9819 -72.5329 -5.48579 -25.3509 45.9819 -25.3509 4.66941 GPRESSAVG: 1101200 24.7988 -75.8921 43.9194 -71.7736 -4.05811 -26.2939 46.7699 -24.7494 2.94294 TIMING: 1101200 CPU: 3281.35, 0.00296985/step Wall: 3281.35, 0.00296985/step, 3.21634 hours remaining, 207.789062 MB of memory in use. ENERGY: 1101200 758.6450 2082.9022 1925.9843 104.6564 -206144.6372 17835.9369 0.0000 0.0000 34460.2348 -148976.2778 300.9498 -183436.5125 -148879.3600 300.2433 -2.3510 30.8944 557023.5947 8.0691 7.8945 PRESSURE: 1101400 -347.045 -27.9248 -38.9517 -27.9253 -260.392 49.0648 -38.9519 49.0657 -95.7273 GPRESSURE: 1101400 -298.607 1.5327 -3.73993 5.78906 -228.863 44.8741 -57.5558 38.8606 -78.3983 PRESSAVG: 1101400 -10.0233 -50.9748 -26.9934 -50.9748 -4.17881 21.0034 -26.9935 21.0034 -0.838132 GPRESSAVG: 1101400 -9.84065 -50.1709 -27.3287 -52.3776 -4.80333 20.3992 -27.2066 21.5166 -0.554832 TIMING: 1101400 CPU: 3281.94, 0.00296763/step Wall: 3281.94, 0.00296763/step, 3.21378 hours remaining, 207.789062 MB of memory in use. ENERGY: 1101400 751.7737 2118.2770 1938.3655 109.7777 -205465.6879 17284.2407 0.0000 0.0000 34331.4594 -148931.7938 299.8252 -183263.2532 -148831.9057 300.1616 -234.3881 -201.9559 557728.2195 -5.0134 -5.0663 PRESSURE: 1101600 -315.294 8.67491 -21.5212 8.67439 -72.921 147.099 -21.5207 147.099 -50.933 GPRESSURE: 1101600 -299.332 -26.3725 -19.7763 48.7958 -47.6808 204.383 -21.6791 86.7929 6.52887 PRESSAVG: 1101600 20.261 -28.6928 -38.2747 -28.6928 -21.6008 56.6479 -38.2747 56.6479 2.31092 GPRESSAVG: 1101600 19.957 -29.0782 -37.6481 -27.07 -21.9851 55.1406 -36.8042 58.9473 3.27391 TIMING: 1101600 CPU: 3282.54, 0.00296957/step Wall: 3282.54, 0.00296957/step, 3.21571 hours remaining, 207.949219 MB of memory in use. ENERGY: 1101600 764.4976 2047.8256 1916.7360 116.0296 -205686.1901 17397.7061 0.0000 0.0000 34557.6316 -148885.7637 301.8004 -183443.3953 -148793.9606 300.2454 -146.3828 -113.4945 556583.0360 0.3237 0.4153 PRESSURE: 1101800 -191.539 -28.8325 84.8756 -28.8315 -336.881 12.7164 84.8757 12.7159 -289.53 GPRESSURE: 1101800 -102.283 55.3796 110.819 -16.4375 -303.224 44.678 61.3277 9.79325 -315.406 PRESSAVG: 1101800 -16.041 -11.1365 -45.7553 -11.1365 -34.3452 41.5371 -45.7553 41.537 1.42803 GPRESSAVG: 1101800 -16.0229 -11.1396 -45.6522 -11.5094 -33.7018 43.7934 -46.8702 40.6584 0.842212 TIMING: 1101800 CPU: 3283.14, 0.00298464/step Wall: 3283.14, 0.00298464/step, 3.23186 hours remaining, 207.949219 MB of memory in use. ENERGY: 1101800 783.7880 2111.1409 1909.0839 101.6244 -205551.2767 17333.0204 0.0000 0.0000 34385.2118 -148927.4073 300.2946 -183312.6192 -148832.9341 299.8320 -272.6500 -240.3040 556967.7784 -16.3194 -16.2942 PRESSURE: 1102000 -28.7859 160.66 109.724 160.66 -91.7444 32.0071 109.725 32.0098 -11.2041 GPRESSURE: 1102000 -10.1655 158.072 136.246 150.173 -76.0365 44.9761 150.486 64.2964 46.0938 PRESSAVG: 1102000 -2.01846 1.58496 -5.03377 1.5849 -1.49754 5.99973 -5.03379 5.9998 40.1081 GPRESSAVG: 1102000 -2.23555 1.15758 -3.7844 1.34329 -1.86412 6.04728 -4.44711 4.18654 40.4749 TIMING: 1102000 CPU: 3283.73, 0.00296758/step Wall: 3283.73, 0.00296758/step, 3.21323 hours remaining, 207.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1102000 759.1423 2068.9981 1914.8653 104.4136 -205508.8322 17613.4629 0.0000 0.0000 34266.4160 -148781.5339 299.2571 -183047.9500 -148676.9055 299.7399 -43.9114 -13.3694 558147.0686 12.1974 12.1251 PRESSURE: 1102200 -287.69 88.1658 -212.359 88.1654 86.819 5.39563 -212.359 5.39698 151.083 GPRESSURE: 1102200 -269.04 14.4956 -135.098 183.304 93.3742 48.9755 -178.957 -29.2116 210.973 PRESSAVG: 1102200 -47.0269 -32.6756 -6.78398 -32.6755 14.5776 24.9455 -6.78395 24.9454 59.467 GPRESSAVG: 1102200 -47.7476 -33.3639 -7.62051 -32.1114 14.572 25.0029 -7.55244 23.2624 59.833 TIMING: 1102200 CPU: 3284.33, 0.00299293/step Wall: 3284.33, 0.00299293/step, 3.24051 hours remaining, 207.949219 MB of memory in use. ENERGY: 1102200 726.4971 2151.0425 1916.2059 123.8791 -205681.5028 17638.7646 0.0000 0.0000 34469.2124 -148655.9010 301.0282 -183125.1134 -148550.2548 300.8946 -16.5961 11.7689 558676.8859 9.0059 8.8858 PRESSURE: 1102400 -31.9311 36.357 51.2933 36.3583 -287.815 15.7346 51.293 15.7355 62.4168 GPRESSURE: 1102400 -7.42929 108.487 115.517 62.6745 -215.989 25.4941 -42.2914 -50.124 72.5279 PRESSAVG: 1102400 -44.8364 16.7758 -35.5208 16.7759 -46.5098 18.2739 -35.5208 18.2739 66.6622 GPRESSAVG: 1102400 -45.0244 17.7643 -36.7367 17.128 -46.8472 18.5719 -34.4188 18.3414 66.9901 TIMING: 1102400 CPU: 3284.93, 0.00301839/step Wall: 3284.93, 0.00301838/step, 3.2679 hours remaining, 207.949219 MB of memory in use. ENERGY: 1102400 775.5585 2182.9600 1899.9946 114.4916 -205888.2239 17816.7120 0.0000 0.0000 34470.8292 -148627.6780 301.0423 -183098.5071 -148528.8753 301.8443 -85.7764 -50.2966 558402.5988 -8.2280 -8.2938 PRESSURE: 1102600 -25.5765 57.2165 60.2048 57.2163 -43.9506 145.03 60.2043 145.031 -249.496 GPRESSURE: 1102600 25.0818 114.987 17.3298 -58.6026 -22.1028 173.665 35.8272 85.0637 -223.076 PRESSAVG: 1102600 19.298 17.0289 8.41827 17.0289 -65.6455 1.94941 8.41823 1.9494 56.084 GPRESSAVG: 1102600 19.6304 15.9371 8.53349 17.5304 -66.363 2.6388 8.09005 2.00153 56.1175 TIMING: 1102600 CPU: 3285.54, 0.00302306/step Wall: 3285.54, 0.00302306/step, 3.2728 hours remaining, 207.949219 MB of memory in use. ENERGY: 1102600 756.6342 2107.9471 1941.6794 112.2439 -205596.6441 17675.4393 0.0000 0.0000 34351.1788 -148651.5213 299.9974 -183002.7001 -148550.3726 300.7743 -106.3410 -73.3655 559793.8548 3.2455 3.1283 PRESSURE: 1102800 128.94 46.33 -81.7718 46.3299 108.605 11.8056 -81.7731 11.8045 -58.5365 GPRESSURE: 1102800 159.843 21.8764 -156.97 79.0206 129.619 22.8972 -1.588 21.0567 -14.6866 PRESSAVG: 1102800 -43.0645 -11.7401 -22.1943 -11.74 21.8341 10.7803 -22.1943 10.7803 35.7988 GPRESSAVG: 1102800 -43.4911 -10.9097 -22.5001 -11.5196 21.4693 9.69614 -20.5673 11.8683 36.5667 TIMING: 1102800 CPU: 3286.14, 0.00300727/step Wall: 3286.14, 0.00300727/step, 3.25554 hours remaining, 207.949219 MB of memory in use. ENERGY: 1102800 756.1338 2125.4743 1938.7335 115.3609 -205769.3310 17654.9538 0.0000 0.0000 34466.6852 -148711.9896 301.0061 -183178.6748 -148617.6988 300.1556 59.6698 91.5917 558213.1748 4.8561 4.8483 PRESSURE: 1103000 49.2346 30.3792 214.111 30.3772 151.201 130.29 214.11 130.289 3.17796 GPRESSURE: 1103000 88.8589 -63.0141 133.178 7.70401 147.422 188.445 263.173 112.811 72.3719 PRESSAVG: 1103000 -68.0829 15.8649 38.2499 15.8649 21.4828 -23.1546 38.2499 -23.1545 35.9505 GPRESSAVG: 1103000 -66.957 15.2315 38.9767 16.2885 22.2252 -21.1104 37.191 -23.5428 34.7073 TIMING: 1103000 CPU: 3286.74, 0.00301158/step Wall: 3286.74, 0.00301158/step, 3.26003 hours remaining, 207.949219 MB of memory in use. ENERGY: 1103000 745.8158 2101.6247 1904.8752 119.9072 -205918.0908 17895.0915 0.0000 0.0000 34310.2546 -148840.5217 299.6400 -183150.7764 -148738.5443 300.7076 67.8713 102.8841 558468.7736 -3.5499 -3.3415 PRESSURE: 1103200 -150.086 82.2369 -156.171 82.2362 -92.9966 89.4255 -156.17 89.4256 -56.5842 GPRESSURE: 1103200 -137.372 136.868 -93.5581 85.353 -102.111 55.8493 -145.886 131.96 36.5659 PRESSAVG: 1103200 65.7973 12.9491 -21.4642 12.9491 -73.4279 60.0271 -21.4641 60.0271 29.3822 GPRESSAVG: 1103200 64.9647 13.6661 -20.4953 13.8716 -72.4238 57.8024 -21.6229 62.0013 29.0261 TIMING: 1103200 CPU: 3287.34, 0.00300313/step Wall: 3287.34, 0.00300313/step, 3.25072 hours remaining, 207.949219 MB of memory in use. ENERGY: 1103200 779.1872 2032.3348 1925.1178 109.5227 -205879.0859 17797.2396 0.0000 0.0000 34254.5225 -148981.1613 299.1533 -183235.6837 -148881.1191 300.0817 -99.8889 -67.6389 558103.1459 7.2506 7.1890 PRESSURE: 1103400 15.2603 -79.1252 59.0429 -79.1229 -232.536 187.613 59.0432 187.611 -336.935 GPRESSURE: 1103400 20.4857 -128.399 70.5192 39.4247 -172.012 77.3623 72.3846 191.632 -308.816 PRESSAVG: 1103400 60.6466 21.6977 57.433 21.6977 -50.6804 4.55928 57.433 4.55938 13.0232 GPRESSAVG: 1103400 60.2466 21.8845 56.4925 20.2556 -51.6178 3.5887 56.8469 1.94418 14.3612 TIMING: 1103400 CPU: 3287.94, 0.00300006/step Wall: 3287.94, 0.00300006/step, 3.24723 hours remaining, 207.949219 MB of memory in use. ENERGY: 1103400 774.2191 2067.1506 1911.6641 105.9766 -205867.1481 17561.4743 0.0000 0.0000 34305.5733 -149141.0901 299.5991 -183446.6634 -149046.9170 299.9071 -184.7372 -153.4473 557682.6852 7.6631 7.6633 PRESSURE: 1103600 101.641 100.533 142.814 100.534 -236.183 -14.3723 142.814 -14.3704 85.6113 GPRESSURE: 1103600 81.966 142.223 72.1572 99.4417 -203.673 -3.2227 167.967 -2.62202 183.167 PRESSAVG: 1103600 38.0121 35.9432 10.679 35.9431 -93.9945 -11.6992 10.679 -11.6991 54.8375 GPRESSAVG: 1103600 38.7097 36.0957 10.0105 36.7706 -94.0684 -13.0774 11.3907 -9.84178 53.9919 TIMING: 1103600 CPU: 3288.54, 0.00300087/step Wall: 3288.54, 0.00300087/step, 3.24794 hours remaining, 207.949219 MB of memory in use. ENERGY: 1103600 733.8737 2100.4792 1888.7316 115.5251 -206170.3691 17686.7267 0.0000 0.0000 34525.5369 -149119.4959 301.5201 -183645.0328 -149010.7552 299.9175 -16.3102 20.4866 556262.7302 -0.3816 -0.4556 PRESSURE: 1103800 49.5249 -97.0972 -39.777 -97.0966 -62.6696 74.8996 -39.7755 74.8999 -64.9331 GPRESSURE: 1103800 89.0249 -93.2229 -75.0737 -139.395 -41.5253 89.7885 -2.8201 97.2741 -21.1371 PRESSAVG: 1103800 -24.5458 3.93225 -26.7761 3.93229 -7.6953 14.2359 -26.776 14.2358 74.4401 GPRESSAVG: 1103800 -24.0317 3.22255 -24.7838 4.05108 -7.9278 16.4313 -28.1763 15.6363 74.6834 TIMING: 1103800 CPU: 3289.14, 0.00300249/step Wall: 3289.14, 0.00300249/step, 3.24953 hours remaining, 207.949219 MB of memory in use. ENERGY: 1103800 767.0493 2092.4897 1924.0578 109.0770 -206164.7950 17678.4027 0.0000 0.0000 34210.1489 -149383.5696 298.7657 -183593.7185 -149285.3579 299.4751 -26.0259 8.7875 555027.2372 14.0663 14.2413 PRESSURE: 1104000 7.03995 5.46632 -23.126 5.46608 -297.053 55.2319 -23.1258 55.2329 155.313 GPRESSURE: 1104000 74.2398 101.153 -45.5965 26.9564 -220.737 107.06 -24.8249 9.86358 120.241 PRESSAVG: 1104000 -1.09974 5.48953 37.2937 5.48943 -69.9484 5.89361 37.2937 5.89359 58.0673 GPRESSAVG: 1104000 -1.54547 7.36545 35.6039 3.72289 -70.9818 5.67627 39.3603 3.01416 59.3504 TIMING: 1104000 CPU: 3289.74, 0.00300428/step Wall: 3289.74, 0.00300428/step, 3.2513 hours remaining, 207.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1104000 745.2377 2079.5272 1926.6030 117.3818 -206419.6057 17749.6317 0.0000 0.0000 34398.0308 -149403.1935 300.4066 -183801.2242 -149312.6133 298.4066 -44.9000 -8.7522 557901.5654 -4.3270 -4.3923 PRESSURE: 1104200 -309.841 142.906 194.268 142.906 254.858 -26.2444 194.267 -26.2446 90.4073 GPRESSURE: 1104200 -289.537 152.507 134.799 85.724 291.339 18.6341 203.799 -66.774 131.271 PRESSAVG: 1104200 10.0693 -17.8164 -3.49931 -17.8163 -18.2954 14.1011 -3.49933 14.1012 30.1514 GPRESSAVG: 1104200 9.39304 -19.993 -1.80212 -16.3372 -17.7056 13.8228 -5.50641 15.9029 30.576 TIMING: 1104200 CPU: 3290.34, 0.00299897/step Wall: 3290.34, 0.00299897/step, 3.24539 hours remaining, 207.949219 MB of memory in use. ENERGY: 1104200 752.7767 2057.3887 1949.6016 109.9640 -206302.0240 17760.0882 0.0000 0.0000 34427.5423 -149244.6626 300.6643 -183672.2049 -149142.1921 299.7281 11.8083 44.3580 556577.3443 7.3084 7.4212 LDB: ============= START OF LOAD BALANCING ============== 3293.89 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3293.89 LDB: =============== DONE WITH MIGRATION ================ 3293.89 LDB: ============= START OF LOAD BALANCING ============== 3294.2 LDB: Largest compute 4796 load 0.029255 is 24.8% of average load 0.118092 LDB: Average compute 0.001728 is 1.5% of average load 0.118092 LDB: TIME 3294.2 LOAD: AVG 0.118092 MAX 0.2117 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.762 MB LDB: TIME 3294.2 LOAD: AVG 0.118092 MAX 0.2117 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.762 MB LDB: TIME 3294.2 LOAD: AVG 0.118092 MAX 0.2117 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3294.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3294.21 PRESSURE: 1104400 52.7016 -113.032 -13.9312 -113.031 13.3996 68.6759 -13.9319 68.6764 51.5208 GPRESSURE: 1104400 90.9436 -112.296 -12.2288 -207.89 59.4264 0.863995 -17.3429 16.792 58.8112 PRESSAVG: 1104400 6.33149 25.2219 28.2943 25.2219 -48.0517 -15.3569 28.2944 -15.3569 98.7816 GPRESSAVG: 1104400 7.25868 25.6438 25.7559 23.634 -47.7012 -16.7367 30.8563 -14.4322 97.4407 TIMING: 1104400 CPU: 3290.96, 0.00306762/step Wall: 3290.96, 0.00306762/step, 3.3195 hours remaining, 206.019531 MB of memory in use. ENERGY: 1104400 738.0991 2085.8421 1895.8536 106.6683 -206343.5938 17892.4296 0.0000 0.0000 34222.7128 -149401.9883 298.8755 -183624.7011 -149311.8333 299.4730 39.2074 69.7271 557018.5830 19.0205 18.9994 PRESSURE: 1104600 -404.609 -74.862 62.6683 -74.8617 -191.404 44.8811 62.6681 44.8811 -51.3675 GPRESSURE: 1104600 -380.498 -88.6942 47.5875 -71.7483 -217.355 102.531 74.4612 45.6278 31.802 PRESSAVG: 1104600 -44.6911 -19.9915 4.97215 -19.9915 23.3579 -29.7501 4.97223 -29.7501 3.21503 GPRESSAVG: 1104600 -45.5364 -21.2185 5.96307 -17.8302 24.5555 -26.5718 3.10855 -31.5766 3.53109 TIMING: 1104600 CPU: 3291.56, 0.00300009/step Wall: 3291.56, 0.0030001/step, 3.24627 hours remaining, 206.019531 MB of memory in use. ENERGY: 1104600 742.3003 2048.5341 1935.4024 120.4953 -206234.1817 17588.7808 0.0000 0.0000 34263.1633 -149535.5054 299.2287 -183798.6688 -149438.2498 298.4212 -215.7934 -188.6835 558411.4824 -6.0394 -5.8166 PRESSURE: 1104800 0.24881 -122.002 172.937 -122.002 -85.5884 25.9494 172.937 25.9499 265.231 GPRESSURE: 1104800 8.38386 -208.284 227.386 -45.7572 -8.43775 -25.8673 -16.0995 67.8896 263.774 PRESSAVG: 1104800 2.99837 14.9539 18.8078 14.9539 2.15087 -16.6798 18.8079 -16.6798 29.0603 GPRESSAVG: 1104800 2.69095 16.3073 18.4074 13.82 0.788967 -18.7225 19.6433 -15.398 30.3414 TIMING: 1104800 CPU: 3292.15, 0.00298734/step Wall: 3292.15, 0.00298734/step, 3.2323 hours remaining, 206.019531 MB of memory in use. ENERGY: 1104800 704.3940 2083.5753 1942.5342 117.6312 -206534.2231 17836.2020 0.0000 0.0000 34290.0719 -149559.8145 299.4637 -183849.8864 -149463.2033 298.3233 59.9637 87.9068 558172.4014 11.4032 11.2738 PRESSURE: 1105000 40.7531 16.2899 -83.2512 16.2897 -160.084 -105.465 -83.2487 -105.463 -226.916 GPRESSURE: 1105000 14.614 -48.2093 -134.828 6.87848 -63.7246 10.724 -87.7123 -137.826 -213.758 PRESSAVG: 1105000 -6.39101 17.5218 -8.92655 17.5219 -37.0945 14.0281 -8.92648 14.028 21.4422 GPRESSAVG: 1105000 -6.5729 15.4988 -9.49905 18.0194 -36.182 15.1265 -7.98789 14.8232 20.2786 TIMING: 1105000 CPU: 3292.75, 0.00299681/step Wall: 3292.75, 0.00299681/step, 3.24238 hours remaining, 206.019531 MB of memory in use. ENERGY: 1105000 730.7797 2088.6127 1904.4421 97.8185 -206371.4504 17744.3919 0.0000 0.0000 34258.8463 -149546.5591 299.1910 -183805.4054 -149440.1193 298.2412 -115.4156 -87.6229 558016.3528 -7.3478 -7.4921 PRESSURE: 1105200 262.85 -107.262 231.811 -107.261 -17.206 32.8605 231.81 32.8605 139.766 GPRESSURE: 1105200 306.265 -90.371 141.544 -121.784 11.1591 6.62605 240.645 51.3433 150.433 PRESSAVG: 1105200 78.7478 -57.3179 -12.8899 -57.3179 -29.3645 -17.9532 -12.8898 -17.9533 -0.906177 GPRESSAVG: 1105200 79.3227 -54.1585 -11.5405 -57.305 -30.7756 -19.0094 -14.9055 -18.277 -0.221709 TIMING: 1105200 CPU: 3293.35, 0.00298218/step Wall: 3293.35, 0.00298218/step, 3.22639 hours remaining, 206.019531 MB of memory in use. ENERGY: 1105200 683.6548 2041.0157 1927.4266 109.7236 -206585.9004 18017.2999 0.0000 0.0000 34203.3799 -149603.4000 298.7066 -183806.7798 -149512.1722 298.0785 128.4700 155.9526 558010.3153 16.1590 16.1085 PRESSURE: 1105400 231.215 -20.1028 68.861 -20.1011 30.5985 57.8094 68.8609 57.8089 -99.3477 GPRESSURE: 1105400 246.433 -32.0617 77.206 -27.8541 64.9013 145.925 162.744 12.5371 -54.1473 PRESSAVG: 1105400 19.7832 -34.6787 12.7596 -34.6788 10.6591 9.36151 12.7596 9.36143 -8.06787 GPRESSAVG: 1105400 19.7923 -36.4428 14.2425 -34.9738 10.3682 8.9846 12.1166 9.61203 -8.41686 TIMING: 1105400 CPU: 3293.94, 0.00297545/step Wall: 3293.94, 0.00297545/step, 3.21894 hours remaining, 206.019531 MB of memory in use. ENERGY: 1105400 746.6696 2084.4515 1926.0143 123.8005 -206591.2681 17967.1138 0.0000 0.0000 34191.0828 -149552.1357 298.5992 -183743.2185 -149464.9475 298.1588 54.1553 85.7290 555776.6284 7.4581 7.2479 PRESSURE: 1105600 -135.35 -54.1431 154.859 -54.1425 -176.756 -105.51 154.86 -105.511 -110.271 GPRESSURE: 1105600 -111.273 -46.3143 38.6403 -56.8458 -120.264 -9.72187 144.102 -85.3179 -82.1667 PRESSAVG: 1105600 44.2398 -56.0643 22.2085 -56.0644 30.522 -17.6516 22.2086 -17.6516 -33.7855 GPRESSAVG: 1105600 44.3334 -55.0549 20.0217 -56.6273 32.5017 -15.1572 22.6688 -19.3379 -35.2845 TIMING: 1105600 CPU: 3294.54, 0.00296688/step Wall: 3294.54, 0.00296688/step, 3.20951 hours remaining, 206.019531 MB of memory in use. ENERGY: 1105600 764.5872 2037.5883 1920.7762 114.3554 -206330.6424 17729.5269 0.0000 0.0000 34398.3119 -149365.4966 300.4090 -183763.8085 -149267.6135 299.0463 -140.7925 -104.5681 556906.7578 13.6588 13.8502 PRESSURE: 1105800 -203.526 50.7851 -119.084 50.7833 -62.0894 -53.3822 -119.083 -53.3832 229.964 GPRESSURE: 1105800 -148.812 44.8872 -134.793 72.7511 22.4267 -51.6423 -140.241 -69.4735 180.304 PRESSAVG: 1105800 12.6042 -62.5682 7.37561 -62.5683 -88.6026 -5.5925 7.37556 -5.59246 95.3297 GPRESSAVG: 1105800 12.7593 -63.7201 8.78014 -62.0848 -90.049 -6.18595 6.55817 -4.79787 96.4369 TIMING: 1105800 CPU: 3295.14, 0.00299407/step Wall: 3295.14, 0.00299407/step, 3.23875 hours remaining, 206.019531 MB of memory in use. ENERGY: 1105800 750.5553 2113.3985 1947.7103 106.2477 -206527.3466 17977.4285 0.0000 0.0000 34502.1923 -149129.8141 301.3162 -183632.0064 -149036.6367 299.3347 -11.8837 17.9730 557341.9900 6.4438 6.3824 PRESSURE: 1106000 13.3362 -30.833 -151.331 -30.833 71.4163 1.15849 -151.331 1.15827 44.6292 GPRESSURE: 1106000 46.4929 -44.542 -133.576 -20.9251 56.035 -68.7215 -167.63 26.5771 131.547 PRESSAVG: 1106000 5.0771 -52.1194 -2.8517 -52.1194 -4.37295 -8.88441 -2.8517 -8.8843 -0.301529 GPRESSAVG: 1106000 6.55437 -51.1089 -2.64451 -51.298 -5.01785 -10.7254 -1.37072 -8.58036 -0.787243 TIMING: 1106000 CPU: 3295.73, 0.0029731/step Wall: 3295.73, 0.0029731/step, 3.2159 hours remaining, 206.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1106000 721.4054 2106.6331 1905.3976 103.6647 -206234.3238 17877.4818 0.0000 0.0000 34337.8724 -149181.8688 299.8812 -183519.7412 -149080.5724 299.6110 43.1272 78.0248 556873.3408 0.1342 0.2498 PRESSURE: 1106200 0.766467 -31.2519 -23.1823 -31.2526 71.635 2.43025 -23.1844 2.43165 110.734 GPRESSURE: 1106200 54.4519 16.5471 57.2359 -33.8919 94.3884 68.6403 10.8137 3.77497 148.321 PRESSAVG: 1106200 6.26315 -13.494 36.1682 -13.494 -56.314 22.5391 36.1682 22.5391 30.4162 GPRESSAVG: 1106200 5.08151 -14.1517 37.3999 -15.2603 -56.1404 21.7633 34.795 23.1554 31.2727 TIMING: 1106200 CPU: 3296.33, 0.00299204/step Wall: 3296.33, 0.00299204/step, 3.23623 hours remaining, 206.019531 MB of memory in use. ENERGY: 1106200 720.8523 2060.5876 1915.9714 97.6956 -206309.8324 17885.1141 0.0000 0.0000 34274.0041 -149355.6072 299.3234 -183629.6113 -149257.6961 299.2427 61.0452 99.0537 555392.3542 -6.5449 -6.5954 PRESSURE: 1106400 -97.7483 105.675 36.7819 105.676 228.791 -94.0058 36.7825 -94.0053 70.7605 GPRESSURE: 1106400 -31.6652 144.098 -11.0645 118.937 211.501 -156.703 31.1868 -58.8697 128.677 PRESSAVG: 1106400 -19.139 36.6108 -14.0878 36.6108 -13.844 -9.24355 -14.0877 -9.24361 38.7593 GPRESSAVG: 1106400 -19.1468 35.7685 -16.5923 38.8447 -13.8308 -7.90875 -10.7949 -8.54288 38.8602 TIMING: 1106400 CPU: 3296.92, 0.00296669/step Wall: 3296.92, 0.00296669/step, 3.20864 hours remaining, 206.019531 MB of memory in use. ENERGY: 1106400 754.4108 2091.3901 1918.4106 109.9775 -206700.6234 18069.0343 0.0000 0.0000 34250.3018 -149507.0982 299.1164 -183757.4000 -149413.9071 299.5397 67.2677 102.8378 556402.8473 1.9254 1.9609 PRESSURE: 1106600 74.8157 69.9442 41.2529 69.9448 386.717 -139.356 41.2518 -139.358 -23.009 GPRESSURE: 1106600 127.362 43.7019 87.4663 141.64 395.169 -189.97 54.3067 -141.084 17.0946 PRESSAVG: 1106600 -35.1616 14.5147 -51.8453 14.5147 27.5924 12.3905 -51.8453 12.3905 9.68616 GPRESSAVG: 1106600 -35.2284 14.6264 -51.1571 12.9244 27.7716 12.2105 -53.4056 10.905 9.29419 TIMING: 1106600 CPU: 3297.51, 0.00295756/step Wall: 3297.51, 0.00295756/step, 3.1986 hours remaining, 206.019531 MB of memory in use. ENERGY: 1106600 734.4762 2062.8797 1936.0165 116.5416 -206814.3144 18146.2753 0.0000 0.0000 34275.3862 -149542.7390 299.3355 -183818.1252 -149444.5924 299.2025 146.1746 179.8754 555149.7661 0.7056 0.6125 PRESSURE: 1106800 -157.374 -184.641 -69.8799 -184.641 -149.078 2.18424 -69.879 2.18335 -182.499 GPRESSURE: 1106800 -162.292 -234.943 -98.8099 -195.599 -77.4637 25.338 -19.1165 35.2052 -154.144 PRESSAVG: 1106800 55.3183 51.878 -27.9514 51.8779 -17.8216 24.4568 -27.9514 24.4567 31.6107 GPRESSAVG: 1106800 55.6357 50.8594 -26.8097 53.2521 -17.6555 25.4194 -29.0096 24.8858 31.0124 TIMING: 1106800 CPU: 3298.11, 0.0030008/step Wall: 3298.11, 0.0030008/step, 3.2452 hours remaining, 206.019531 MB of memory in use. ENERGY: 1106800 790.8538 2096.9050 1928.4322 112.4065 -206302.4506 17553.0845 0.0000 0.0000 34388.8804 -149431.8884 300.3266 -183820.7687 -149330.7011 299.6059 -162.9836 -131.2999 557450.1502 23.0358 22.9975 PRESSURE: 1107000 -191.125 114.582 -0.0881214 114.581 166.921 -24.1165 -0.090279 -24.1162 -220.657 GPRESSURE: 1107000 -191.222 164.29 -58.0922 110.297 174.8 -33.9711 31.6041 8.7628 -151.911 PRESSAVG: 1107000 -15.1233 -30.8631 19.1931 -30.8632 -7.22515 -9.8258 19.1931 -9.8258 -27.531 GPRESSAVG: 1107000 -15.7615 -25.6223 18.1719 -34.9713 -6.62545 -10.6681 19.8762 -10.4563 -27.2845 TIMING: 1107000 CPU: 3298.72, 0.00302802/step Wall: 3298.72, 0.00302802/step, 3.27447 hours remaining, 206.019531 MB of memory in use. ENERGY: 1107000 738.4409 2065.8791 1973.3766 112.5580 -206515.8552 17792.2242 0.0000 0.0000 34325.6420 -149507.7345 299.7744 -183833.3764 -149414.3704 299.1297 -81.6206 -56.1112 558478.7819 -16.6265 -16.5572 PRESSURE: 1107200 105.029 -27.3864 115.604 -27.3863 -284.345 0.725232 115.605 0.723761 106.095 GPRESSURE: 1107200 120.017 -58.5066 67.6569 -29.7341 -156.425 3.61037 78.23 6.28374 53.9961 PRESSAVG: 1107200 -20.7401 26.5068 -70.9037 26.5067 23.8005 31.1736 -70.9036 31.1735 23.7894 GPRESSAVG: 1107200 -20.699 22.818 -69.328 29.0947 23.9989 31.8521 -70.1816 33.7131 23.3769 TIMING: 1107200 CPU: 3299.32, 0.00299861/step Wall: 3299.32, 0.00299861/step, 3.2425 hours remaining, 206.019531 MB of memory in use. ENERGY: 1107200 749.3065 2050.6619 1923.3522 112.7612 -206492.2811 17935.9794 0.0000 0.0000 34192.0738 -149528.1460 298.6079 -183720.2198 -149433.1925 298.9220 -24.4067 5.8628 556904.4305 8.9499 8.8923 PRESSURE: 1107400 45.0683 125.649 12.9171 125.651 -87.624 221.229 12.9173 221.23 -90.9176 GPRESSURE: 1107400 69.6871 138.967 24.3473 105.502 -18.5717 204.204 36.6215 162.663 -82.7352 PRESSAVG: 1107400 -23.3363 -3.43552 44.9975 -3.43564 17.4433 18.9463 44.9975 18.9463 -22.166 GPRESSAVG: 1107400 -22.2403 -2.45735 43.8643 -2.03308 14.7598 18.681 44.7997 16.0208 -20.7142 TIMING: 1107400 CPU: 3299.91, 0.00296509/step Wall: 3299.91, 0.00296509/step, 3.20608 hours remaining, 206.019531 MB of memory in use. ENERGY: 1107400 741.3261 2053.0056 1928.2096 100.7333 -206420.9746 17751.0988 0.0000 0.0000 34133.4951 -149713.1062 298.0963 -183846.6012 -149619.1375 298.2750 -44.4911 -10.5399 555944.7628 -9.3530 -9.3982 PRESSURE: 1107600 111.847 -74.4221 40.5266 -74.4212 7.47537 -34.2208 40.5274 -34.2196 131.296 GPRESSURE: 1107600 146.328 -98.0658 25.9423 -130.414 42.1278 -78.154 61.8881 -50.394 164.498 PRESSAVG: 1107600 32.4512 -63.3214 27.7192 -63.3213 -58.4596 -33.6465 27.7193 -33.6464 1.39579 GPRESSAVG: 1107600 32.6811 -62.1496 25.7315 -66.3749 -57.0692 -34.552 28.2226 -33.4572 0.117346 TIMING: 1107600 CPU: 3300.51, 0.00298529/step Wall: 3300.51, 0.00298529/step, 3.22776 hours remaining, 206.019531 MB of memory in use. ENERGY: 1107600 736.6947 2042.1289 1942.2617 100.9845 -206627.0345 18053.0682 0.0000 0.0000 34118.5881 -149633.3084 297.9661 -183751.8965 -149547.8044 298.0510 83.5393 117.6514 556532.9444 -8.2042 -8.0903 PRESSURE: 1107800 -283.902 236.392 116.396 236.393 -275.607 282.066 116.396 282.065 -20.4496 GPRESSURE: 1107800 -239.326 227.042 143.266 283.713 -199.903 264.186 60.1106 231.386 -34.3056 PRESSAVG: 1107800 88.8888 22.2864 6.81805 22.2865 -64.2067 2.61213 6.81796 2.61213 1.4905 GPRESSAVG: 1107800 88.6741 20.0672 8.83862 24.7853 -63.9766 1.62778 7.45269 1.8384 0.993782 TIMING: 1107800 CPU: 3301.11, 0.00298857/step Wall: 3301.11, 0.00298857/step, 3.23114 hours remaining, 206.019531 MB of memory in use. ENERGY: 1107800 797.1517 2097.0391 1928.1872 115.5614 -206324.8665 17515.2361 0.0000 0.0000 34277.8174 -149593.8736 299.3567 -183871.6910 -149497.9504 297.9322 -193.3199 -157.8449 555266.1369 8.7242 8.5637 PRESSURE: 1108000 -203.067 13.8025 4.99478 13.8042 -12.6082 -142.099 4.99407 -142.099 -334.373 GPRESSURE: 1108000 -141.543 -10.7328 58.2712 89.3383 21.029 -152.299 -24.7733 -51.2935 -334.153 PRESSAVG: 1108000 -9.23697 19.4161 -11.4622 19.4162 -26.9397 -42.182 -11.4621 -42.1819 8.57092 GPRESSAVG: 1108000 -8.96154 19.6405 -10.6726 17.5985 -28.0607 -40.8438 -13.6305 -42.4862 9.19177 TIMING: 1108000 CPU: 3301.7, 0.00296303/step Wall: 3301.7, 0.00296303/step, 3.20337 hours remaining, 206.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1108000 750.4960 2082.9187 1936.6790 122.5440 -206234.4570 17500.3560 0.0000 0.0000 34214.4427 -149627.0207 298.8032 -183841.4634 -149523.1243 298.5736 -183.3494 -151.5558 555939.7471 -9.2019 -9.2768 PRESSURE: 1108200 -424.607 -0.0598681 5.55646 -0.0584116 -174.163 -7.08222 5.55612 -7.08332 -388.944 GPRESSURE: 1108200 -418.529 -24.9377 -36.4956 2.03824 -90.0506 23.7866 4.15376 -10.2983 -392.248 PRESSAVG: 1108200 -20.8264 -54.3277 -8.75806 -54.3277 71.5614 -46.8366 -8.75807 -46.8366 -68.9623 GPRESSAVG: 1108200 -20.2766 -53.7722 -10.2855 -53.7429 71.5828 -46.7261 -7.08532 -44.5509 -69.0248 TIMING: 1108200 CPU: 3302.3, 0.0029809/step Wall: 3302.3, 0.0029809/step, 3.22252 hours remaining, 206.019531 MB of memory in use. ENERGY: 1108200 768.5959 2046.3439 1949.6995 111.5201 -206335.9196 17525.4707 0.0000 0.0000 34174.7673 -149759.5222 298.4567 -183934.2896 -149663.7071 298.5850 -329.2383 -300.2759 556790.6737 -6.0757 -5.9062 LDB: ============= START OF LOAD BALANCING ============== 3305.85 LDB: ============== END OF LOAD BALANCING =============== 3305.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3305.85 LDB: ============= START OF LOAD BALANCING ============== 3306.15 LDB: Largest compute 4796 load 0.028223 is 23.9% of average load 0.118119 LDB: Average compute 0.001735 is 1.5% of average load 0.118119 LDB: TIME 3306.15 LOAD: AVG 0.118119 MAX 0.213929 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.555 MB LDB: TIME 3306.15 LOAD: AVG 0.118119 MAX 0.213929 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.762 MB LDB: TIME 3306.15 LOAD: AVG 0.118119 MAX 0.213929 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.762 MB LDB: ============== END OF LOAD BALANCING =============== 3306.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3306.16 PRESSURE: 1108400 -158.909 -111.923 -7.32035 -111.924 317.186 13.3531 -7.32092 13.3529 -387.97 GPRESSURE: 1108400 -117.789 -97.2427 -1.93551 -162.022 347.994 -47.3304 15.2686 -7.83171 -370.621 PRESSAVG: 1108400 -24.9407 -12.5577 3.41347 -12.5576 68.8676 -23.5373 3.41346 -23.5372 -77.3937 GPRESSAVG: 1108400 -26.6232 -13.8972 4.14781 -13.0539 70.7336 -22.0868 4.23569 -24.8579 -77.9709 TIMING: 1108400 CPU: 3302.91, 0.0030607/step Wall: 3302.91, 0.0030607/step, 3.30862 hours remaining, 206.054688 MB of memory in use. ENERGY: 1108400 772.5462 2097.0143 1918.0611 110.4504 -206636.4320 17924.7453 0.0000 0.0000 34030.1565 -149783.4583 297.1938 -183813.6148 -149679.3767 297.7366 -76.5645 -46.8056 556717.5971 -11.1556 -11.2868 PRESSURE: 1108600 184.812 70.8034 158.314 70.8026 -319.159 -15.7978 158.315 -15.7977 -89.8343 GPRESSURE: 1108600 188.526 116.288 89.1192 -10.9656 -238.232 26.9255 101.173 5.22507 -69.926 PRESSAVG: 1108600 49.1776 -43.7743 2.69988 -43.7743 -15.1331 65.9345 2.69987 65.9345 -3.30791 GPRESSAVG: 1108600 50.5486 -43.2568 2.23507 -43.0769 -15.9657 64.6574 1.78773 66.559 -3.98073 TIMING: 1108600 CPU: 3303.51, 0.00299061/step Wall: 3303.51, 0.00299061/step, 3.23269 hours remaining, 206.054688 MB of memory in use. ENERGY: 1108600 763.1470 2091.0406 1925.0599 114.4960 -206519.0409 17928.2099 0.0000 0.0000 33970.1013 -149726.9864 296.6693 -183697.0876 -149633.6971 298.0552 -74.7273 -39.8773 557161.4515 10.2455 10.2007 PRESSURE: 1108800 -148.908 31.5514 59.7064 31.5512 124.435 75.6168 59.7055 75.616 -181.852 GPRESSURE: 1108800 -116.879 0.0554383 54.5847 36.5364 94.163 29.4042 24.5176 72.1565 -93.3574 PRESSAVG: 1108800 22.0904 43.023 54.4389 43.0231 15.9496 -4.27352 54.439 -4.27354 -24.7516 GPRESSAVG: 1108800 21.6191 43.6202 57.0491 43.4882 15.9465 -4.56573 54.1609 -3.94561 -24.7871 TIMING: 1108800 CPU: 3304.11, 0.00299556/step Wall: 3304.11, 0.00299556/step, 3.23786 hours remaining, 206.054688 MB of memory in use. ENERGY: 1108800 770.3772 2112.8704 1948.7511 113.1060 -206565.2989 17811.9165 0.0000 0.0000 34121.6548 -149686.6228 297.9929 -183808.2777 -149589.5710 298.2946 -68.7750 -38.6911 556481.1691 4.4295 4.2595 PRESSURE: 1109000 -161.189 -112.557 -20.3575 -112.557 -25.7503 12.7055 -20.3569 12.7049 191.116 GPRESSURE: 1109000 -149.463 -18.8723 -22.5571 -181.821 49.4348 21.0973 -18.1086 44.1755 211.313 PRESSAVG: 1109000 -52.9157 34.0245 27.8821 34.0244 46.5839 29.6723 27.8822 29.6725 2.43669 GPRESSAVG: 1109000 -52.9014 33.0878 27.908 36.0018 46.3175 28.9654 27.618 29.6597 3.50572 TIMING: 1109000 CPU: 3304.71, 0.00300912/step Wall: 3304.71, 0.00300912/step, 3.25236 hours remaining, 206.054688 MB of memory in use. ENERGY: 1109000 729.5133 2066.7807 1928.6845 103.0040 -206474.2516 17736.8553 0.0000 0.0000 34351.5092 -149557.9045 300.0003 -183909.4137 -149447.5358 298.1773 1.3921 37.0949 555604.6414 -1.2984 -1.0261 PRESSURE: 1109200 -273.269 -50.4875 -39.9835 -50.4878 -69.2736 -91.5625 -39.9845 -91.5634 -2.91435 GPRESSURE: 1109200 -239.433 7.88999 -45.7558 -46.119 -49.6536 -30.2929 82.3665 -122.746 47.5528 PRESSAVG: 1109200 -5.29118 -12.7466 -71.8477 -12.7466 54.5782 -41.0134 -71.8477 -41.0133 -43.1638 GPRESSAVG: 1109200 -5.53751 -12.0186 -73.8307 -13.9947 54.6384 -41.2152 -70.4386 -41.1149 -43.8979 TIMING: 1109200 CPU: 3305.3, 0.00296804/step Wall: 3305.3, 0.00296804/step, 3.20779 hours remaining, 206.054688 MB of memory in use. ENERGY: 1109200 760.7173 2093.8160 1970.8740 105.6722 -205811.5835 17480.9988 0.0000 0.0000 33879.9298 -149519.5754 295.8819 -183399.5052 -149424.0747 297.9560 -115.1525 -80.5112 557493.8995 2.0411 1.7343 PRESSURE: 1109400 -118.723 68.2117 119.88 68.2116 12.5902 -17.8946 119.881 -17.895 3.96925 GPRESSURE: 1109400 -23.0286 148.89 166.983 59.142 -26.5457 0.923112 31.3953 52.7398 50.2416 PRESSAVG: 1109400 -77.2945 10.3393 -25.6454 10.3393 70.8165 25.9293 -25.6454 25.9294 33.8257 GPRESSAVG: 1109400 -77.3669 11.4087 -25.2648 8.82981 70.9776 27.2178 -25.9048 25.2993 33.5866 TIMING: 1109400 CPU: 3305.89, 0.00296904/step Wall: 3305.89, 0.00296904/step, 3.20871 hours remaining, 206.054688 MB of memory in use. ENERGY: 1109400 785.6851 2078.4770 1970.3828 106.9062 -206243.5761 17834.6113 0.0000 0.0000 34183.3482 -149284.1655 298.5317 -183467.5137 -149193.3118 299.1479 -34.0545 0.2224 558712.7034 9.1159 9.0657 PRESSURE: 1109600 -8.6252 -52.0823 -102.013 -52.0819 -2.51089 29.0547 -102.014 29.0544 111.996 GPRESSURE: 1109600 42.7043 17.8378 -167.327 -81.051 58.9627 92.9956 -25.2138 26.6625 107.125 PRESSAVG: 1109600 10.1132 10.4636 4.00321 10.4636 32.6818 31.8087 4.00327 31.8086 -46.5823 GPRESSAVG: 1109600 10.75 9.93486 5.5444 9.93048 32.418 30.4616 3.27722 32.4244 -46.5703 TIMING: 1109600 CPU: 3306.5, 0.0030186/step Wall: 3306.5, 0.0030186/step, 3.2621 hours remaining, 206.054688 MB of memory in use. ENERGY: 1109600 744.4926 2090.2107 1912.1860 116.5547 -206097.0223 17745.5560 0.0000 0.0000 34149.9294 -149338.0929 298.2398 -183488.0223 -149237.9555 298.5492 33.6199 69.5973 557099.0976 -1.2625 -1.1341 PRESSURE: 1109800 -175.597 43.9647 -72.42 43.9656 24.7124 36.4422 -72.4194 36.4396 55.7115 GPRESSURE: 1109800 -145.278 43.9535 -74.3309 -10.5541 92.8199 113.779 -44.2079 50.1951 78.0465 PRESSAVG: 1109800 20.9114 -11.9635 -20.2574 -11.9635 34.802 15.7602 -20.2574 15.7602 -48.9447 GPRESSAVG: 1109800 20.9925 -13.0043 -22.4506 -10.2505 35.0244 15.7477 -17.9013 15.1186 -49.5281 TIMING: 1109800 CPU: 3307.1, 0.00302779/step Wall: 3307.1, 0.00302779/step, 3.27186 hours remaining, 206.054688 MB of memory in use. ENERGY: 1109800 772.9089 2125.1708 1936.5900 122.3540 -206313.6104 17950.2627 0.0000 0.0000 34167.0562 -149239.2679 298.3894 -183406.3241 -149142.5638 298.8944 -31.7242 8.5296 558410.5212 2.2563 2.1629 PRESSURE: 1110000 14.9489 35.9788 -25.9995 35.9796 102.406 67.9896 -25.999 67.9891 77.1605 GPRESSURE: 1110000 15.875 69.9779 -56.7851 162.668 162.618 78.8693 -46.4779 5.80723 116.182 PRESSAVG: 1110000 0.835486 8.15916 -36.6608 8.1591 13.8433 -11.4387 -36.6608 -11.4387 -11.3921 GPRESSAVG: 1110000 0.126746 6.26518 -34.7271 9.9069 12.873 -12.4475 -38.3155 -11.5762 -10.0074 TIMING: 1110000 CPU: 3307.71, 0.00302389/step Wall: 3307.71, 0.00302389/step, 3.26748 hours remaining, 206.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1110000 737.2669 2155.1830 1902.0867 109.9003 -206303.4302 18017.4002 0.0000 0.0000 34298.7171 -149082.8760 299.5392 -183381.5931 -148989.4430 299.4726 64.8384 98.2251 558283.8432 1.0955 0.9974 PRESSURE: 1110200 109.347 52.3268 -73.6943 52.3274 101.276 -104.614 -73.695 -104.615 166.866 GPRESSURE: 1110200 186.331 72.7961 -99.9252 4.8462 120.544 -180.22 -82.6281 -10.3178 168.998 PRESSAVG: 1110200 40.6531 21.0922 -46.1118 21.0923 -28.5931 -72.2284 -46.1117 -72.2284 -25.2625 GPRESSAVG: 1110200 41.4794 22.2365 -47.1489 19.4081 -27.7136 -70.9993 -45.9544 -71.3776 -26.8386 TIMING: 1110200 CPU: 3308.32, 0.00304069/step Wall: 3308.32, 0.00304069/step, 3.28547 hours remaining, 206.054688 MB of memory in use. ENERGY: 1110200 756.8577 2102.0325 1941.1131 104.9991 -206368.7529 17934.0098 0.0000 0.0000 34152.1922 -149377.5485 298.2596 -183529.7407 -149270.3897 299.5284 125.8296 158.6241 557245.0299 -4.4008 -4.3576 PRESSURE: 1110400 90.012 -118.298 96.5672 -118.298 -167.763 -108.658 96.5674 -108.658 -63.4916 GPRESSURE: 1110400 110.469 -218.86 140.998 -14.9361 -95.6123 -125.75 -23.1269 -115.434 -59.0576 PRESSAVG: 1110400 23.1321 58.3156 -0.239292 58.3156 -24.7651 9.23427 -0.239366 9.2341 -11.9643 GPRESSAVG: 1110400 22.6491 59.5887 -1.83478 56.8217 -24.5947 10.7676 0.374547 7.95821 -11.3766 TIMING: 1110400 CPU: 3308.92, 0.00301069/step Wall: 3308.92, 0.00301069/step, 3.25288 hours remaining, 206.054688 MB of memory in use. ENERGY: 1110400 721.1554 2132.0479 1952.0462 115.0030 -205988.8456 17689.9032 0.0000 0.0000 34153.7833 -149224.9066 298.2735 -183378.6899 -149124.8622 298.8620 -47.0810 -14.7335 557036.6667 -4.5324 -4.4407 PRESSURE: 1110600 40.3007 -168.667 -253.086 -168.667 -100.387 19.1042 -253.085 19.1034 8.86027 GPRESSURE: 1110600 64.5227 -190.57 -257.625 -99.8181 -50.1744 9.24284 -231.774 37.6674 20.5023 PRESSAVG: 1110600 4.26687 3.78668 -38.087 3.78678 -52.3748 2.99878 -38.0871 2.99873 65.2735 GPRESSAVG: 1110600 4.60323 2.13036 -36.3323 5.43435 -53.7682 1.00372 -38.4112 4.37329 65.687 TIMING: 1110600 CPU: 3309.51, 0.00297368/step Wall: 3309.51, 0.00297368/step, 3.21273 hours remaining, 206.054688 MB of memory in use. ENERGY: 1110600 724.1722 2125.5392 1917.5574 124.2257 -206294.4104 17893.5968 0.0000 0.0000 34441.6087 -149067.7102 300.7871 -183509.3190 -148964.5380 300.1173 -17.0753 11.6168 557654.7485 5.7218 5.5074 PRESSURE: 1110800 -226.581 40.1534 55.1811 40.1539 36.0807 9.17714 55.1812 9.17773 -130.528 GPRESSURE: 1110800 -216.49 43.196 122.578 -21.1301 69.8269 48.2096 83.6625 -34.5306 -73.271 PRESSAVG: 1110800 39.269 31.2421 -56.7727 31.242 10.5097 29.2265 -56.7727 29.2265 -36.1115 GPRESSAVG: 1110800 38.4106 32.6523 -58.0168 30.6717 11.5986 28.9212 -56.8289 29.0584 -36.1232 TIMING: 1110800 CPU: 3310.11, 0.00299847/step Wall: 3310.11, 0.00299847/step, 3.23935 hours remaining, 206.054688 MB of memory in use. ENERGY: 1110800 738.5004 2138.2663 1935.1378 108.1933 -205746.7923 17467.0633 0.0000 0.0000 34352.8286 -149006.8027 300.0118 -183359.6312 -148903.9802 300.6716 -107.0095 -73.3112 557816.0737 4.5557 4.6287 PRESSURE: 1111000 274.569 55.0382 -114.785 55.0395 -164.393 -107.209 -114.784 -107.21 5.75462 GPRESSURE: 1111000 312.929 10.7524 -89.7518 42.7063 -129.05 -17.7126 -124.199 -102.437 30.3858 PRESSAVG: 1111000 45.2975 22.0766 -12.1167 22.0766 57.3406 23.8269 -12.1168 23.8269 -100.573 GPRESSAVG: 1111000 44.8908 21.1117 -11.4154 23.7755 56.7801 24.0363 -12.3561 22.4449 -99.3249 TIMING: 1111000 CPU: 3310.72, 0.00301629/step Wall: 3310.72, 0.00301629/step, 3.25843 hours remaining, 206.054688 MB of memory in use. ENERGY: 1111000 782.5790 2085.7615 1924.7000 105.3603 -206143.4434 17758.8256 0.0000 0.0000 34462.8718 -149023.3452 300.9728 -183486.2170 -148925.9403 300.2632 38.6434 71.4217 557061.4275 0.6882 0.7820 PRESSURE: 1111200 -124.712 -111.048 -70.2302 -111.047 -143.152 2.2202 -70.2298 2.22083 150.378 GPRESSURE: 1111200 -52.7773 -52.7707 -42.6683 -178.126 -184.967 -47.246 -89.7581 65.2649 208.779 PRESSAVG: 1111200 15.7143 14.3442 -30.7966 14.3441 -19.8985 -26.8977 -30.7965 -26.8978 24.7152 GPRESSAVG: 1111200 16.2635 16.2651 -29.855 10.4265 -19.4217 -26.2951 -30.743 -25.1688 23.7529 TIMING: 1111200 CPU: 3311.32, 0.00300278/step Wall: 3311.32, 0.00300278/step, 3.24367 hours remaining, 206.054688 MB of memory in use. ENERGY: 1111200 743.0124 2115.3209 1907.3484 121.2744 -206171.8251 17713.8144 0.0000 0.0000 34368.9019 -149202.1528 300.1522 -183571.0547 -149091.7350 299.6966 -39.1623 -9.6549 557751.4700 6.8437 6.8649 PRESSURE: 1111400 424.441 1.25487 -47.226 1.25482 62.5619 -99.7414 -47.2266 -99.7408 313.839 GPRESSURE: 1111400 446.306 36.9142 -81.7555 17.6466 107.282 -50.6092 15.01 -169.761 351.002 PRESSAVG: 1111400 26.8619 -5.94112 -45.3034 -5.94114 -35.0492 -23.0008 -45.3034 -23.0009 53.6193 GPRESSAVG: 1111400 27.0215 -5.92939 -45.3524 -3.73724 -35.833 -24.822 -44.7938 -23.1102 53.8295 TIMING: 1111400 CPU: 3311.92, 0.00302978/step Wall: 3311.92, 0.00302978/step, 3.27267 hours remaining, 206.054688 MB of memory in use. ENERGY: 1111400 735.8568 2075.1051 1934.6871 108.9917 -206634.3516 18170.6602 0.0000 0.0000 34383.0244 -149226.0264 300.2755 -183609.0508 -149131.1576 299.1338 266.9474 301.5298 556961.4752 15.1440 15.0060 PRESSURE: 1111600 -62.6268 -33.5014 9.67794 -33.501 21.7247 -18.8523 9.67728 -18.8521 -73.7091 GPRESSURE: 1111600 23.2147 17.2923 93.8317 -48.914 45.6683 -41.0252 -78.7801 65.1542 -87.2572 PRESSAVG: 1111600 15.432 -18.4802 -15.0137 -18.4803 -38.51 -53.2871 -15.0137 -53.2871 35.055 GPRESSAVG: 1111600 16.483 -18.7705 -15.6152 -17.7831 -39.0397 -52.2291 -15.8556 -53.9035 34.4017 TIMING: 1111600 CPU: 3312.52, 0.00300384/step Wall: 3312.52, 0.00300384/step, 3.24448 hours remaining, 206.054688 MB of memory in use. ENERGY: 1111600 752.0213 2062.1227 1912.1320 118.9976 -206054.8523 17607.3364 0.0000 0.0000 34519.6371 -149082.6052 301.4686 -183602.2424 -148982.1724 300.0130 -38.2037 -6.1247 558106.8501 3.9923 3.9483 PRESSURE: 1111800 110.075 -147.136 4.80127 -147.137 -16.6175 109.042 4.79981 109.042 -2.5987 GPRESSURE: 1111800 153.51 -148.396 66.147 -88.2444 22.1382 116.692 40.2252 79.8421 11.7798 PRESSAVG: 1111800 4.72956 22.7833 -36.786 22.7833 -7.38978 -28.4546 -36.7859 -28.4546 4.26429 GPRESSAVG: 1111800 3.02047 20.6897 -36.9883 24.3574 -6.22811 -28.5868 -36.7465 -27.552 4.3984 TIMING: 1111800 CPU: 3313.14, 0.00306373/step Wall: 3313.14, 0.00306373/step, 3.309 hours remaining, 206.054688 MB of memory in use. ENERGY: 1111800 745.7036 2126.7533 1911.9662 105.3123 -206274.6885 18005.9951 0.0000 0.0000 34393.8806 -148985.0774 300.3703 -183378.9580 -148885.6839 299.6231 30.2862 62.4759 557084.7945 0.5347 0.3969 PRESSURE: 1112000 0.302001 -107.835 107.513 -107.835 -49.3906 36.4536 107.515 36.4547 -247.726 GPRESSURE: 1112000 23.113 -127.964 82.2125 -49.2637 -73.6916 46.8817 130.146 5.84699 -163.684 PRESSAVG: 1112000 74.17 -1.27026 -17.5236 -1.27029 -39.3202 6.07867 -17.5235 6.07872 -61.7589 GPRESSAVG: 1112000 74.6037 0.093686 -14.4738 -2.78921 -40.7731 6.49263 -18.6689 6.45271 -60.6755 TIMING: 1112000 CPU: 3313.74, 0.00303906/step Wall: 3313.74, 0.00303906/step, 3.28218 hours remaining, 206.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1112000 742.5880 2093.0212 1943.9651 108.4807 -205682.6633 17601.5800 0.0000 0.0000 34354.9609 -148838.0674 300.0304 -183193.0283 -148732.2706 299.9641 -98.9381 -71.4209 558556.9795 -8.9697 -8.9483 PRESSURE: 1112200 -115.82 71.2948 87.9768 71.2936 -71.3406 146.932 87.9774 146.932 39.1133 GPRESSURE: 1112200 -25.704 -19.0612 46.6119 114.493 -76.6733 40.7178 43.6022 228.169 63.784 PRESSAVG: 1112200 -19.9368 -43.8658 25.6862 -43.8658 -6.90655 38.8069 25.6862 38.807 31.44 GPRESSAVG: 1112200 -20.259 -46.6615 23.67 -42.2984 -6.36675 38.1221 25.9487 37.4547 31.1149 TIMING: 1112200 CPU: 3314.35, 0.00301581/step Wall: 3314.35, 0.00301581/step, 3.25691 hours remaining, 206.054688 MB of memory in use. ENERGY: 1112200 799.2445 2123.4822 1964.4899 118.3922 -206197.5077 17785.7095 0.0000 0.0000 34694.7242 -148711.4653 302.9977 -183406.1894 -148612.1057 300.5028 -49.3492 -12.8644 557021.1786 1.5322 1.4964 LDB: ============= START OF LOAD BALANCING ============== 3317.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3317.9 LDB: =============== DONE WITH MIGRATION ================ 3317.9 LDB: ============= START OF LOAD BALANCING ============== 3318.2 LDB: Largest compute 4796 load 0.027166 is 23.0% of average load 0.118188 LDB: Average compute 0.001726 is 1.5% of average load 0.118188 LDB: TIME 3318.2 LOAD: AVG 0.118188 MAX 0.214153 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.336 MB LDB: TIME 3318.2 LOAD: AVG 0.118188 MAX 0.214153 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.336 MB LDB: TIME 3318.2 LOAD: AVG 0.118188 MAX 0.214153 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.336 MB LDB: ============== END OF LOAD BALANCING =============== 3318.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3318.21 PRESSURE: 1112400 44.7743 40.9402 17.0481 40.94 -54.6853 -14.4481 17.0479 -14.4483 -251.768 GPRESSURE: 1112400 83.156 55.2077 3.73034 18.2929 -50.749 15.5546 25.5723 -21.6896 -211.711 PRESSAVG: 1112400 14.7946 -66.4563 3.59855 -66.4564 8.96271 40.4013 3.59852 40.4013 11.3833 GPRESSAVG: 1112400 14.0974 -63.662 5.12667 -69.0175 8.96427 41.0288 3.28524 41.8358 11.7385 TIMING: 1112400 CPU: 3314.96, 0.00305676/step Wall: 3314.96, 0.00305676/step, 3.30096 hours remaining, 206.566406 MB of memory in use. ENERGY: 1112400 768.4068 2148.0138 1948.5155 102.5159 -205820.1520 17565.6105 0.0000 0.0000 34351.4076 -148935.6820 299.9994 -183287.0896 -148841.7565 300.5457 -87.2262 -59.7678 557984.2631 11.7135 11.6001 PRESSURE: 1112600 51.1449 -35.5972 -5.00076 -35.597 145.153 96.7969 -5.00176 96.7978 175.997 GPRESSURE: 1112600 138.421 -29.7321 -60.2668 -90.2481 161.989 67.4269 29.5415 133.255 180.385 PRESSAVG: 1112600 20.8369 -36.2118 -35.1239 -36.2118 18.0617 -18.2127 -35.1239 -18.2128 -34.7734 GPRESSAVG: 1112600 21.1658 -36.5357 -36.3351 -36.5587 18.9879 -16.3914 -33.7703 -20.0676 -36.1671 TIMING: 1112600 CPU: 3315.56, 0.0030033/step Wall: 3315.56, 0.0030033/step, 3.24307 hours remaining, 206.566406 MB of memory in use. ENERGY: 1112600 671.6823 2203.0276 1940.1887 107.2494 -206237.8691 17967.4178 0.0000 0.0000 34425.3039 -148922.9994 300.6447 -183348.3033 -148823.9633 299.6752 124.0985 160.2651 558616.3976 1.3750 1.3289 PRESSURE: 1112800 75.6466 -8.56952 -13.154 -8.56976 72.187 -8.04797 -13.1538 -8.04886 -122.826 GPRESSURE: 1112800 109.101 -27.9746 64.9515 9.07016 68.6867 106.314 -63.3422 -56.1166 -50.2823 PRESSAVG: 1112800 36.0203 -21.6499 -38.3818 -21.6498 -3.30582 18.1528 -38.3818 18.1527 -58.9822 GPRESSAVG: 1112800 35.1065 -19.9014 -38.4598 -20.9306 -3.86331 16.5543 -38.6934 20.2118 -57.6178 TIMING: 1112800 CPU: 3316.16, 0.00298138/step Wall: 3316.16, 0.00298138/step, 3.21922 hours remaining, 206.566406 MB of memory in use. ENERGY: 1112800 748.7794 2181.4906 1934.1794 120.9306 -206199.6169 17787.0829 0.0000 0.0000 34379.8272 -149047.3267 300.2476 -183427.1539 -148952.9071 300.0691 8.3359 42.5019 556314.7251 -8.7559 -8.7915 PRESSURE: 1113000 -120.156 22.787 -157.13 22.7865 -5.22467 -106.116 -157.129 -106.117 133.832 GPRESSURE: 1113000 -64.2088 48.7583 -217.33 137.841 13.7425 -92.2502 -101.565 -39.1895 158.828 PRESSAVG: 1113000 -34.7859 -24.7409 -24.1377 -24.7409 18.1888 18.7689 -24.1377 18.7688 0.900571 GPRESSAVG: 1113000 -34.5826 -27.8991 -24.1881 -22.9925 17.5771 18.6616 -23.1745 19.0413 1.47391 TIMING: 1113000 CPU: 3316.75, 0.00297893/step Wall: 3316.75, 0.00297893/step, 3.21641 hours remaining, 206.566406 MB of memory in use. ENERGY: 1113000 753.5210 2150.8082 1916.6381 110.5217 -206324.8743 17951.1907 0.0000 0.0000 34161.2465 -149280.9481 298.3387 -183442.1946 -149185.6714 299.6027 2.8171 36.1204 556783.7880 -5.2322 -5.1772 PRESSURE: 1113200 -86.6374 -49.3157 2.58459 -49.3161 -81.893 40.6379 2.58466 40.6371 -10.0284 GPRESSURE: 1113200 -5.60987 -83.2713 40.6224 6.48155 -86.9712 82.8692 12.116 38.3122 -6.56586 PRESSAVG: 1113200 -28.4263 -16.6552 -5.33614 -16.6553 50.1465 53.833 -5.33608 53.8331 -2.42224 GPRESSAVG: 1113200 -27.8531 -14.7448 -5.38141 -18.718 50.0519 54.5184 -6.53027 53.0498 -3.61897 TIMING: 1113200 CPU: 3317.35, 0.00298494/step Wall: 3317.35, 0.00298494/step, 3.22274 hours remaining, 206.566406 MB of memory in use. ENERGY: 1113200 754.2454 2147.2832 1948.0785 113.9383 -206456.8835 17753.1389 0.0000 0.0000 34398.4974 -149341.7019 300.4106 -183740.1993 -149247.8515 299.5132 -59.5196 -33.0490 558406.7742 6.4327 6.1933 PRESSURE: 1113400 -12.4087 -62.3338 70.7809 -62.3341 -217.069 -8.75368 70.779 -8.75374 -1.31145 GPRESSURE: 1113400 54.586 -62.4983 -8.87534 -158.836 -211.594 -4.88911 30.0012 -16.4598 20.0324 PRESSAVG: 1113400 39.3275 -7.19081 -0.875285 -7.19082 -61.7183 -24.879 -0.87529 -24.8789 19.4092 GPRESSAVG: 1113400 39.5945 -6.55284 -0.32113 -6.46257 -61.842 -23.8301 -0.613394 -25.1693 19.232 TIMING: 1113400 CPU: 3317.94, 0.00296309/step Wall: 3317.94, 0.00296309/step, 3.19898 hours remaining, 206.566406 MB of memory in use. ENERGY: 1113400 757.0693 2116.2008 1952.4065 121.8304 -206600.9555 17880.5258 0.0000 0.0000 34517.8368 -149255.0859 301.4529 -183772.9227 -149159.3513 299.4058 -76.9298 -45.6585 557845.5081 -0.9939 -1.0052 PRESSURE: 1113600 -16.9745 78.2043 -117.553 78.2044 -38.7675 -4.69286 -117.553 -4.69381 -83.7821 GPRESSURE: 1113600 13.0326 -27.1203 -155.307 88.0844 32.8984 -14.9765 -112.067 37.042 -74.8792 PRESSAVG: 1113600 -4.8153 -13.6877 55.2626 -13.6877 5.1693 2.84606 55.2626 2.84622 15.0307 GPRESSAVG: 1113600 -4.91048 -14.9476 56.8492 -13.0934 4.91652 -0.226444 54.147 4.38999 15.0638 TIMING: 1113600 CPU: 3318.54, 0.00299991/step Wall: 3318.54, 0.00299991/step, 3.23857 hours remaining, 206.566406 MB of memory in use. ENERGY: 1113600 798.0443 2129.5112 1919.3646 108.8325 -206784.9458 17999.5864 0.0000 0.0000 34534.6167 -149294.9900 301.5994 -183829.6068 -149202.6651 299.9094 -46.5080 -9.6494 558236.8511 5.1282 5.0233 PRESSURE: 1113800 55.6027 58.1791 -64.8151 58.1796 -309.4 -40.3313 -64.8149 -40.332 114.796 GPRESSURE: 1113800 99.2338 55.2272 -142.056 10.0409 -290.696 -30.0301 -9.71192 -35.3547 151.396 PRESSAVG: 1113800 16.5884 3.93971 -31.9545 3.9398 14.4594 27.1271 -31.9546 27.127 -41.2456 GPRESSAVG: 1113800 15.7873 4.49846 -33.173 2.51559 15.0646 28.963 -30.0786 24.2981 -41.0106 TIMING: 1113800 CPU: 3319.13, 0.00296876/step Wall: 3319.13, 0.00296876/step, 3.20478 hours remaining, 206.566406 MB of memory in use. ENERGY: 1113800 752.0597 2080.3535 1944.4190 112.1148 -206175.9319 17766.1425 0.0000 0.0000 34315.4722 -149205.3702 299.6856 -183520.8424 -149105.8584 299.6422 -46.3337 -13.3554 556250.0717 -3.3992 -3.3862 PRESSURE: 1114000 32.0445 -78.6735 -3.67646 -78.6728 66.5608 -43.9544 -3.67594 -43.9542 -83.82 GPRESSURE: 1114000 77.9599 -111.809 -83.5663 -120.877 99.5301 -43.8758 -21.4181 8.98415 -50.6725 PRESSAVG: 1114000 -20.4874 -6.45755 -57.1445 -6.45756 57.6764 13.2217 -57.1444 13.2216 -19.9597 GPRESSAVG: 1114000 -19.2644 -6.45551 -57.9897 -6.64582 57.2587 13.4781 -57.8106 14.4251 -20.7114 TIMING: 1114000 CPU: 3319.73, 0.00297355/step Wall: 3319.73, 0.00297355/step, 3.20978 hours remaining, 206.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1114000 729.1197 2067.6642 1956.3780 111.8275 -206247.4080 17818.6726 0.0000 0.0000 34203.9402 -149359.8058 298.7115 -183563.7460 -149268.0823 299.0942 4.9284 42.2725 556038.4613 5.7431 5.7610 PRESSURE: 1114200 -38.7102 -18.8621 -99.5007 -18.8627 -255.905 -114.376 -99.4999 -114.376 -329.021 GPRESSURE: 1114200 12.3869 -9.64553 -162.391 -102.679 -156.114 -109.495 -59.2964 -104.87 -374.942 PRESSAVG: 1114200 -22.4398 -0.948809 -6.16697 -0.948826 71.7862 -19.8306 -6.16698 -19.8306 -55.5206 GPRESSAVG: 1114200 -23.0029 -2.67997 -3.80918 -1.36118 71.5059 -20.4687 -7.06154 -18.0639 -54.2029 TIMING: 1114200 CPU: 3320.33, 0.00299258/step Wall: 3320.33, 0.00299258/step, 3.23015 hours remaining, 206.566406 MB of memory in use. ENERGY: 1114200 770.0455 2060.2757 1951.7704 116.1762 -206094.8595 17596.7544 0.0000 0.0000 34272.5625 -149327.2748 299.3108 -183599.8374 -149231.2074 299.0969 -207.8786 -172.8896 557160.8643 -2.0581 -1.9000 PRESSURE: 1114400 -1.02469 92.0184 -33.9037 92.0193 38.1204 18.7383 -33.9034 18.7384 139.572 GPRESSURE: 1114400 54.0035 69.1764 -0.82205 137.042 47.2626 35.4944 52.058 23.8009 178.093 PRESSAVG: 1114400 51.9223 -12.8872 -8.76764 -12.8872 -12.9163 0.387789 -8.76761 0.38771 -23.1306 GPRESSAVG: 1114400 52.7982 -10.8239 -10.5559 -12.9634 -12.8671 -2.39225 -9.80045 0.908475 -24.1584 TIMING: 1114400 CPU: 3320.93, 0.00299837/step Wall: 3320.93, 0.00299837/step, 3.23624 hours remaining, 206.566406 MB of memory in use. ENERGY: 1114400 750.0380 2093.8324 1947.6806 112.8706 -206182.0510 17926.2391 0.0000 0.0000 34387.9348 -148963.4554 300.3184 -183351.3903 -148863.1953 300.1469 58.8893 93.1196 558748.1372 5.2918 5.2575 PRESSURE: 1114600 -15.1627 106.166 84.2913 106.165 -108.513 -2.95982 84.2928 -2.96027 169.459 GPRESSURE: 1114600 50.7996 82.0139 77.6895 110.258 -93.6153 -26.8458 9.47802 -0.229574 201.422 PRESSAVG: 1114600 -33.8895 42.7963 -66.9472 42.7963 -2.30725 -23.8412 -66.9472 -23.8412 11.0735 GPRESSAVG: 1114600 -34.3924 42.6042 -68.5098 42.3055 -2.67108 -22.704 -62.9018 -26.3074 11.7512 TIMING: 1114600 CPU: 3321.53, 0.00299442/step Wall: 3321.53, 0.00299442/step, 3.23182 hours remaining, 206.566406 MB of memory in use. ENERGY: 1114600 738.9516 2045.8274 1946.3426 106.3642 -205941.4592 17823.9608 0.0000 0.0000 34285.2765 -148994.7361 299.4218 -183280.0126 -148898.9264 299.6407 15.2611 52.8687 559123.3962 -8.3744 -8.4374 PRESSURE: 1114800 110.45 -44.4387 -24.6367 -44.4383 -65.1797 -49.1053 -24.6361 -49.1052 -52.1677 GPRESSURE: 1114800 134.582 -89.8546 -3.70877 -46.7788 -47.1631 -85.806 -110.611 28.26 -1.28127 PRESSAVG: 1114800 -15.9046 6.35707 18.8031 6.35699 28.5082 -23.0144 18.8031 -23.0144 21.2671 GPRESSAVG: 1114800 -17.4191 7.82393 20.0674 7.03377 28.3571 -24.1294 16.8328 -20.5207 22.8458 TIMING: 1114800 CPU: 3322.12, 0.00298737/step Wall: 3322.12, 0.00298737/step, 3.22403 hours remaining, 206.566406 MB of memory in use. ENERGY: 1114800 796.0125 2103.0157 1924.0801 108.7524 -206059.2197 17842.6052 0.0000 0.0000 34317.0828 -148967.6710 299.6996 -183284.7539 -148871.3270 299.8095 -2.2990 28.7125 558047.7580 11.2902 11.2613 PRESSURE: 1115000 117.421 -152.647 104.907 -152.648 -101.429 -91.8709 104.908 -91.8704 -66.847 GPRESSURE: 1115000 139.103 -79.539 30.4156 -226.75 -95.4424 -99.0491 141.705 -56.5438 2.05554 PRESSAVG: 1115000 -17.9896 -13.2208 47.2048 -13.2209 -23.3908 -23.5437 47.2047 -23.5437 24.3245 GPRESSAVG: 1115000 -16.8188 -16.9269 47.9274 -10.7411 -22.9501 -21.9051 46.3726 -23.9997 22.3779 TIMING: 1115000 CPU: 3322.72, 0.00297469/step Wall: 3322.72, 0.00297469/step, 3.21019 hours remaining, 206.566406 MB of memory in use. ENERGY: 1115000 780.0750 2075.4389 1935.7422 125.2625 -206029.7860 17718.1527 0.0000 0.0000 34340.2363 -149054.8784 299.9018 -183395.1147 -148957.9079 300.1276 -16.9517 15.2389 556659.8786 -5.6853 -5.7970 PRESSURE: 1115200 -104.119 184.046 -32.8978 184.047 -249.252 -2.57693 -32.8991 -2.57629 -32.8174 GPRESSURE: 1115200 -104.57 80.7422 -65.9165 128.529 -154.737 10.9274 94.468 -93.5193 -27.5781 PRESSAVG: 1115200 -4.75282 -14.9393 73.0762 -14.9394 18.0043 -22.7574 73.0762 -22.7574 3.99101 GPRESSAVG: 1115200 -4.82683 -14.869 72.6317 -16.3498 17.9389 -22.9762 73.8805 -22.905 4.88787 TIMING: 1115200 CPU: 3323.32, 0.00298156/step Wall: 3323.32, 0.00298156/step, 3.21743 hours remaining, 206.566406 MB of memory in use. ENERGY: 1115200 743.4334 2042.3045 1955.7253 109.7676 -205808.4966 17663.4138 0.0000 0.0000 34250.3926 -149043.4593 299.1172 -183293.8519 -148939.3296 299.1645 -128.7293 -95.6282 558804.3629 5.7475 6.0000 PRESSURE: 1115400 77.1094 96.633 -92.5819 96.634 -177.801 171.196 -92.582 171.196 22.8438 GPRESSURE: 1115400 135.019 105.026 -65.6903 105.063 -105.892 79.1615 -45.4628 174.539 -23.7027 PRESSAVG: 1115400 42.6334 -18.9997 -30.6073 -18.9997 -35.4818 -15.8986 -30.6073 -15.8985 -43.0313 GPRESSAVG: 1115400 41.7943 -19.239 -29.9165 -18.9954 -33.9967 -15.159 -30.7274 -14.5203 -44.2645 TIMING: 1115400 CPU: 3323.91, 0.0029827/step Wall: 3323.91, 0.0029827/step, 3.2185 hours remaining, 206.566406 MB of memory in use. ENERGY: 1115400 753.6624 2131.2065 1919.7462 113.8292 -205919.2470 17844.0359 0.0000 0.0000 34229.9396 -148926.8273 298.9386 -183156.7669 -148826.9512 299.5798 -25.9493 1.8081 559466.5619 -11.9599 -12.1556 PRESSURE: 1115600 -101.857 -90.5667 3.85072 -90.5668 -83.5367 -117.121 3.84971 -117.121 -74.1803 GPRESSURE: 1115600 -5.78638 -82.5655 -30.2082 -81.1108 -110.071 -161.959 44.7808 -1.14976 -38.4592 PRESSAVG: 1115600 5.99809 -16.2926 -13.1641 -16.2927 30.324 -17.0455 -13.1641 -17.0455 0.80081 GPRESSAVG: 1115600 7.89569 -16.9424 -14.6129 -15.2241 29.1404 -18.2052 -13.469 -19.1804 0.054593 TIMING: 1115600 CPU: 3324.51, 0.00297373/step Wall: 3324.51, 0.00297373/step, 3.20865 hours remaining, 206.566406 MB of memory in use. ENERGY: 1115600 709.1910 2139.6909 1899.3925 109.5905 -205320.5265 17477.1168 0.0000 0.0000 34221.2184 -148764.3264 298.8624 -182985.5447 -148660.1034 300.2720 -86.5248 -51.4390 559574.8586 12.3743 12.3636 PRESSURE: 1115800 140.5 -1.42667 -175.394 -1.42657 -15.0825 14.6032 -175.393 14.605 325.129 GPRESSURE: 1115800 164.839 64.7853 -166.7 -67.0073 21.79 -66.3849 -144.203 10.7434 362.739 PRESSAVG: 1115800 -12.2619 -28.8331 13.09 -28.8331 -79.528 -23.0856 13.09 -23.0856 45.8066 GPRESSAVG: 1115800 -12.1997 -26.26 14.8403 -29.1403 -80.5651 -23.0894 14.0301 -20.6675 46.8281 TIMING: 1115800 CPU: 3325.11, 0.00300605/step Wall: 3325.11, 0.00300605/step, 3.24336 hours remaining, 206.566406 MB of memory in use. ENERGY: 1115800 702.3001 2105.4348 1939.9391 109.0719 -205982.3188 17841.2671 0.0000 0.0000 34379.1771 -148905.1288 300.2419 -183284.3059 -148803.7806 300.5241 150.1821 183.1229 557823.0116 -15.3278 -15.3122 PRESSURE: 1116000 -91.524 -47.4281 45.2661 -47.4285 -42.2813 -91.5709 45.2662 -91.5713 35.2035 GPRESSURE: 1116000 -26.2454 -27.8395 62.6523 -53.226 -32.2108 -61.2654 58.457 -135.249 62.3485 PRESSAVG: 1116000 -5.26552 -26.8468 -0.52005 -26.8468 -0.924055 55.7135 -0.52019 55.7134 36.9083 GPRESSAVG: 1116000 -5.56227 -28.6679 -0.936795 -27.19 -0.0956455 57.8498 -1.30327 55.7955 36.3099 TIMING: 1116000 CPU: 3325.71, 0.00302573/step Wall: 3325.71, 0.00302573/step, 3.26443 hours remaining, 206.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1116000 705.5447 2076.1883 1936.8678 114.9130 -205778.2533 17621.9732 0.0000 0.0000 34428.4345 -148894.3317 300.6721 -183322.7662 -148798.4453 300.3854 -32.8673 1.2974 557638.0842 10.2396 10.2173 PRESSURE: 1116200 -166.231 -64.3041 -7.23764 -64.3061 -49.8521 -88.1657 -7.23889 -88.1652 208.351 GPRESSURE: 1116200 -145.845 37.9523 0.237971 -129.339 0.895895 -132.152 -41.9825 -27.7132 222.904 PRESSAVG: 1116200 31.7241 13.1565 -4.01589 13.1566 -104.771 39.6804 -4.01591 39.6803 73.8178 GPRESSAVG: 1116200 30.7288 14.5383 -3.30314 13.2681 -105.552 39.1479 -4.57419 38.009 75.2318 TIMING: 1116200 CPU: 3326.31, 0.00297406/step Wall: 3326.31, 0.00297406/step, 3.20851 hours remaining, 206.566406 MB of memory in use. ENERGY: 1116200 710.3275 2085.5242 1917.0891 111.6733 -205552.1001 17546.9564 0.0000 0.0000 34160.2484 -149020.2810 298.3299 -183180.5295 -148923.7768 299.8439 -2.5774 25.9848 558197.5764 0.2570 0.1363 LDB: ============= START OF LOAD BALANCING ============== 3329.85 LDB: ============== END OF LOAD BALANCING =============== 3329.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3329.86 LDB: ============= START OF LOAD BALANCING ============== 3330.15 LDB: Largest compute 4796 load 0.029421 is 24.9% of average load 0.118074 LDB: Average compute 0.001735 is 1.5% of average load 0.118074 LDB: TIME 3330.16 LOAD: AVG 0.118074 MAX 0.210036 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.078 MB LDB: TIME 3330.16 LOAD: AVG 0.118074 MAX 0.210036 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.078 MB LDB: TIME 3330.16 LOAD: AVG 0.118074 MAX 0.210036 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.078 MB LDB: ============== END OF LOAD BALANCING =============== 3330.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3330.16 PRESSURE: 1116400 57.8661 5.05441 -26.7666 5.05543 -27.7845 58.0307 -26.7669 58.0286 -115.579 GPRESSURE: 1116400 80.7684 -42.6921 124.976 46.3231 15.4312 49.4211 -102.273 64.5092 -89.516 PRESSAVG: 1116400 -68.5866 -36.5735 10.2919 -36.5736 24.7363 7.20774 10.292 7.20771 12.3822 GPRESSAVG: 1116400 -68.0263 -36.4357 10.9778 -36.73 25.797 6.19846 11.1815 6.57769 10.7469 TIMING: 1116400 CPU: 3326.91, 0.00302554/step Wall: 3326.91, 0.00302554/step, 3.26389 hours remaining, 205.988281 MB of memory in use. ENERGY: 1116400 741.0934 2081.3886 1936.0276 115.0710 -206084.8666 17765.9616 0.0000 0.0000 34433.0660 -149012.2584 300.7125 -183445.3244 -148912.0017 299.7823 -28.4991 2.2279 558643.0784 -10.4894 -10.4941 PRESSURE: 1116600 -220.745 -240.706 52.5575 -240.707 -139.824 -72.831 52.5574 -72.8325 -27.5595 GPRESSURE: 1116600 -138.26 -231.28 72.9223 -254.483 -214.962 -110.206 15.5229 -40.4403 62.0234 PRESSAVG: 1116600 -32.4472 -32.7778 14.3816 -32.7778 -11.2722 32.2386 14.3816 32.2385 28.2917 GPRESSAVG: 1116600 -32.2112 -34.6114 12.435 -31.826 -11.6861 32.8164 15.1477 33.1933 29.1215 TIMING: 1116600 CPU: 3327.51, 0.00296958/step Wall: 3327.51, 0.00296958/step, 3.20335 hours remaining, 205.988281 MB of memory in use. ENERGY: 1116600 729.1977 2116.5494 1921.1390 103.9109 -205806.2210 17502.2111 0.0000 0.0000 34553.4344 -148879.7784 301.7637 -183433.2128 -148788.5432 300.2586 -129.3763 -97.0662 557699.3773 -5.1426 -4.9253 PRESSURE: 1116800 165.785 144.444 52.6124 144.442 70.1109 -14.5521 52.6116 -14.552 27.5316 GPRESSURE: 1116800 193.524 102.468 0.616774 180.447 107.057 54.1357 53.6661 -46.8633 59.0633 PRESSAVG: 1116800 32.6563 -3.116 -7.53202 -3.11591 10.7163 7.6441 -7.53203 7.64411 -1.12631 GPRESSAVG: 1116800 32.7507 -0.68811 -7.62876 -4.99861 11.5533 7.2348 -8.16646 9.69758 -1.44556 TIMING: 1116800 CPU: 3328.1, 0.00297001/step Wall: 3328.1, 0.00297001/step, 3.20365 hours remaining, 205.988281 MB of memory in use. ENERGY: 1116800 740.0121 2074.5710 1943.9877 113.3694 -205915.5682 17859.4655 0.0000 0.0000 34186.2719 -148997.8907 298.5572 -183184.1626 -148897.3847 299.8984 87.8093 119.8816 557746.8810 14.0821 14.2861 PRESSURE: 1117000 247.822 106.084 -144.509 106.084 160.856 50.5919 -144.509 50.593 335.285 GPRESSURE: 1117000 293.496 104.527 -45.4994 132.744 223.387 5.6935 -243.863 116.31 329.019 PRESSAVG: 1117000 -34.2784 27.1656 -1.42129 27.1656 -5.98944 12.9844 -1.42112 12.9845 2.35428 GPRESSAVG: 1117000 -34.3516 22.8424 0.20599 30.3875 -4.83444 13.3134 -2.18094 11.8562 1.92132 TIMING: 1117000 CPU: 3328.7, 0.00298303/step Wall: 3328.7, 0.00298303/step, 3.21753 hours remaining, 205.988281 MB of memory in use. ENERGY: 1117000 727.8598 2066.4639 1951.3899 111.2712 -206479.7573 18268.3710 0.0000 0.0000 34200.6273 -149153.7742 298.6826 -183354.4015 -149049.6793 299.5997 247.9878 281.9675 557966.5369 -12.6378 -12.4216 PRESSURE: 1117200 1.5938 11.3587 -33.1899 11.3589 206.465 -6.2148 -33.1903 -6.21548 -132.333 GPRESSURE: 1117200 42.5256 83.5101 0.953337 -47.11 199.208 4.87505 -99.3451 70.9236 -58.809 PRESSAVG: 1117200 31.6573 -21.521 7.73961 -21.521 -21.7666 28.4842 7.73963 28.4842 27.5903 GPRESSAVG: 1117200 31.8989 -17.9313 6.09162 -23.461 -23.4412 27.2355 8.17042 29.5029 29.0604 TIMING: 1117200 CPU: 3329.3, 0.00299045/step Wall: 3329.3, 0.00299045/step, 3.22537 hours remaining, 205.988281 MB of memory in use. ENERGY: 1117200 747.1615 2117.4632 1909.5357 113.7010 -206025.0200 17814.8391 0.0000 0.0000 34096.4985 -149225.8211 297.7732 -183322.3195 -149134.9303 299.2520 25.2418 60.9749 557693.5799 12.4936 12.5061 PRESSURE: 1117400 -330.36 59.0751 -144.395 59.0751 -21.0996 100.97 -144.394 100.971 -126.633 GPRESSURE: 1117400 -234.931 58.2876 -47.123 1.65741 -38.2509 76.6631 -82.289 147.151 -112.509 PRESSAVG: 1117400 43.6533 -20.9884 -84.4383 -20.9884 -55.4569 20.4348 -84.4383 20.4348 -2.01655 GPRESSAVG: 1117400 44.0311 -20.775 -85.0373 -21.3917 -55.4151 21.4035 -81.4252 18.9662 -2.50963 TIMING: 1117400 CPU: 3329.89, 0.00297797/step Wall: 3329.89, 0.00297797/step, 3.21174 hours remaining, 205.988281 MB of memory in use. ENERGY: 1117400 747.6975 2125.8714 1923.2290 115.0608 -205991.0795 17759.8373 0.0000 0.0000 34215.6048 -149103.7787 298.8134 -183319.3835 -149005.6428 298.9868 -159.3643 -128.5636 558896.5676 -4.6067 -4.6312 PRESSURE: 1117600 14.4172 42.8578 -173.057 42.8596 -108.298 83.9148 -173.06 83.9147 -21.3672 GPRESSURE: 1117600 52.7882 35.5691 -192.241 109.51 -86.4319 54.1301 -89.3899 110.822 14.7657 PRESSAVG: 1117600 -12.1946 -39.8991 -13.7493 -39.899 21.8915 6.64908 -13.7493 6.64909 -32.3569 GPRESSAVG: 1117600 -12.148 -41.4371 -12.5196 -39.134 22.7918 6.36915 -15.1337 5.79369 -32.7656 TIMING: 1117600 CPU: 3330.49, 0.00298706/step Wall: 3330.49, 0.00298706/step, 3.22138 hours remaining, 205.988281 MB of memory in use. ENERGY: 1117600 723.2465 2055.2705 1953.4531 115.9577 -206103.9181 17766.0133 0.0000 0.0000 34340.1350 -149149.8420 299.9009 -183489.9770 -149053.7624 299.5782 -38.4161 -6.2927 557604.9876 -7.5533 -7.3740 PRESSURE: 1117800 -112.525 152.42 -183.127 152.419 -261.111 -57.5442 -183.128 -57.5443 -101.371 GPRESSURE: 1117800 -40.5646 75.1354 -297.286 101.347 -288.184 -72.0652 -246.997 -34.7408 -53.0675 PRESSAVG: 1117800 66.0947 26.8863 -45.6925 26.8864 -69.4657 -40.9253 -45.6926 -40.9254 -15.1414 GPRESSAVG: 1117800 66.145 28.1762 -46.7482 27.0665 -70.0729 -39.6166 -45.3489 -41.7519 -14.5463 TIMING: 1117800 CPU: 3331.08, 0.00297317/step Wall: 3331.08, 0.00297317/step, 3.20623 hours remaining, 205.988281 MB of memory in use. ENERGY: 1117800 724.4581 2149.6576 1937.2323 114.0797 -206135.5884 17757.6906 0.0000 0.0000 34144.3953 -149308.0748 298.1915 -183452.4701 -149219.8167 299.2746 -158.3354 -127.2721 560098.8709 -6.1708 -6.1580 PRESSURE: 1118000 131.039 -193.536 74.108 -193.535 157.51 53.5569 74.1079 53.556 127.571 GPRESSURE: 1118000 185.316 -206.168 59.1209 -206.618 190.201 -15.2317 124.577 68.1706 141.306 PRESSAVG: 1118000 4.28023 -38.5188 -38.3094 -38.5187 56.0171 -28.1104 -38.3094 -28.1106 -59.8512 GPRESSAVG: 1118000 4.07076 -41.4933 -37.1193 -37.4195 57.4967 -29.7966 -39.1584 -27.1442 -61.5011 TIMING: 1118000 CPU: 3331.68, 0.00297908/step Wall: 3331.68, 0.00297908/step, 3.21245 hours remaining, 205.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1118000 711.2746 2073.1623 1938.9940 123.5832 -206164.7793 17883.0135 0.0000 0.0000 34142.8635 -149291.8882 298.1781 -183434.7517 -149198.5103 298.8934 138.7067 172.2746 557501.7876 0.1487 0.0221 PRESSURE: 1118200 -123.739 -124.539 -26.1587 -124.539 59.515 -21.453 -26.1573 -21.4521 140.138 GPRESSURE: 1118200 -63.6451 -244.843 -16.0564 -30.8582 61.0563 42.7474 -103.964 -71.0048 165.568 PRESSAVG: 1118200 7.67262 -109.187 -26.4712 -109.187 22.1109 -4.80832 -26.4711 -4.80825 -46.3183 GPRESSAVG: 1118200 7.57394 -108.35 -25.6217 -108.828 20.3513 -2.87436 -27.935 -6.95827 -44.8144 TIMING: 1118200 CPU: 3332.28, 0.00301162/step Wall: 3332.28, 0.00301162/step, 3.24736 hours remaining, 205.988281 MB of memory in use. ENERGY: 1118200 707.7388 2117.4354 1942.1482 109.4602 -206035.5338 17704.4463 0.0000 0.0000 34265.8361 -149188.4689 299.2521 -183454.3050 -149088.8959 299.0650 25.3048 54.3264 557009.4722 -5.5116 -5.6297 PRESSURE: 1118400 -266.366 -85.4118 -89.7999 -85.4102 -131.756 -200.933 -89.8001 -200.933 -286.543 GPRESSURE: 1118400 -199.254 -101.845 -25.6779 -35.778 -93.6568 -133.05 -15.1313 -242.365 -298.681 PRESSAVG: 1118400 31.3726 -67.9065 -10.5624 -67.9064 -50.2368 -45.6279 -10.5624 -45.6278 15.6004 GPRESSAVG: 1118400 30.8033 -65.9971 -12.3635 -69.7372 -49.7454 -48.0839 -9.0727 -43.4198 15.5514 TIMING: 1118400 CPU: 3332.88, 0.00301349/step Wall: 3332.88, 0.00301349/step, 3.24921 hours remaining, 205.988281 MB of memory in use. ENERGY: 1118400 743.2602 2047.7127 1945.0273 111.1713 -205916.6231 17721.5201 0.0000 0.0000 34159.3753 -149188.5562 298.3223 -183347.9315 -149087.0244 299.2994 -228.2220 -197.1971 558786.0719 -1.0879 -1.1302 PRESSURE: 1118600 15.1341 -83.5664 -5.16107 -83.5673 -5.06181 -51.5455 -5.16117 -51.5447 -262.118 GPRESSURE: 1118600 33.8197 -75.6907 64.4474 -77.8083 6.85961 -29.5292 -58.7513 -58.0575 -205.656 PRESSAVG: 1118600 -12.5321 -19.8285 17.4292 -19.8286 63.1178 -31.8373 17.429 -31.8373 -5.13268 GPRESSAVG: 1118600 -11.7975 -20.6742 18.4469 -21.8648 62.9786 -29.9156 18.2757 -32.6356 -5.12498 TIMING: 1118600 CPU: 3333.49, 0.00301477/step Wall: 3333.49, 0.00301477/step, 3.25043 hours remaining, 205.988281 MB of memory in use. ENERGY: 1118600 750.3181 2117.1398 1929.4164 113.6203 -205741.5771 17422.9552 0.0000 0.0000 34221.4881 -149186.6392 298.8648 -183408.1273 -149090.4643 298.5455 -84.0153 -54.9923 555911.0684 15.1510 15.3521 PRESSURE: 1118800 34.1695 21.6294 -236.047 21.6294 -31.9895 -126.513 -236.047 -126.514 38.9566 GPRESSURE: 1118800 88.2539 84.7171 -217.493 -49.5646 -2.99084 -86.8804 -239.189 -103.547 55.9863 PRESSAVG: 1118800 22.1369 -0.822167 -20.156 -0.822111 14.1505 -1.58228 -20.156 -1.5822 7.83222 GPRESSAVG: 1118800 22.0903 0.540366 -19.4828 1.37926 14.9986 -1.40408 -22.7749 -0.534281 6.94015 TIMING: 1118800 CPU: 3334.09, 0.00299826/step Wall: 3334.09, 0.00299826/step, 3.23246 hours remaining, 205.988281 MB of memory in use. ENERGY: 1118800 702.3775 2083.2421 1927.2257 106.1571 -205699.3245 17518.2933 0.0000 0.0000 33971.1769 -149390.8518 296.6787 -183362.0287 -149286.1042 298.2199 13.7122 47.0831 556107.4528 14.7065 14.6764 PRESSURE: 1119000 321.179 111.557 63.4781 111.557 110.132 130.551 63.4781 130.551 -107.167 GPRESSURE: 1119000 368.626 57.4196 -71.3805 162.602 87.9524 102.599 124.784 113.458 -26.9775 PRESSAVG: 1119000 92.556 -5.07641 -47.4525 -5.07641 -45.1739 -13.5168 -47.4525 -13.5169 -50.4116 GPRESSAVG: 1119000 92.8614 -5.33321 -48.6357 -3.67108 -46.0026 -13.8358 -46.8592 -14.0808 -49.7323 TIMING: 1119000 CPU: 3334.69, 0.0030063/step Wall: 3334.69, 0.0030063/step, 3.24096 hours remaining, 205.988281 MB of memory in use. ENERGY: 1119000 725.8917 2083.6235 1927.9372 97.8897 -206648.3926 17960.9769 0.0000 0.0000 34368.3840 -149483.6897 300.1476 -183852.0737 -149396.4663 298.4438 108.0481 143.2003 555196.6826 -1.0099 -0.9578 PRESSURE: 1119200 36.7546 -75.0611 54.9281 -75.0604 356.601 -81.89 54.9275 -81.8878 84.8574 GPRESSURE: 1119200 113.741 -62.4019 94.7761 -80.6305 359.817 -35.9963 47.9179 -25.7344 111.03 PRESSAVG: 1119200 47.5625 -42.0054 3.91407 -42.0054 -3.42807 -35.1466 3.91413 -35.1465 -4.55968 GPRESSAVG: 1119200 46.7087 -42.5305 5.20952 -41.3027 -2.72233 -36.1495 3.40694 -33.2724 -3.6312 TIMING: 1119200 CPU: 3335.29, 0.00299439/step Wall: 3335.29, 0.00299439/step, 3.22796 hours remaining, 205.988281 MB of memory in use. ENERGY: 1119200 747.9546 2058.7137 1927.2141 123.1763 -206721.1061 18142.2611 0.0000 0.0000 34339.9764 -149381.8098 299.8996 -183721.7862 -149285.0767 298.5459 159.4042 194.8625 556062.0834 13.1916 13.4517 PRESSURE: 1119400 -22.6578 -97.1755 7.95894 -97.1746 -200.586 -41.234 7.95913 -41.2343 133.532 GPRESSURE: 1119400 46.7315 0.721169 30.8499 -104.139 -124.455 6.91109 44.3409 -59.2564 96.8444 PRESSAVG: 1119400 24.7564 -27.2004 20.8571 -27.2003 5.56542 17.9538 20.8572 17.9536 -33.5291 GPRESSAVG: 1119400 24.5539 -27.3166 21.7988 -27.9574 7.05508 18.1739 21.6456 16.134 -35.249 TIMING: 1119400 CPU: 3335.89, 0.00303601/step Wall: 3335.89, 0.00303601/step, 3.27265 hours remaining, 205.988281 MB of memory in use. ENERGY: 1119400 757.0474 2063.8269 1949.8778 114.6763 -206281.5901 17802.6584 0.0000 0.0000 34131.5456 -149461.9576 298.0793 -183593.5032 -149375.9391 298.4319 -29.9040 6.3735 556978.6899 -1.0691 -1.2133 PRESSURE: 1119600 136.283 37.368 -63.0625 37.3692 -20.8069 -27.4168 -63.063 -27.4179 -161.729 GPRESSURE: 1119600 125.709 -8.21482 -48.1315 3.07081 3.927 -17.5105 -20.1288 13.1125 -80.9701 PRESSAVG: 1119600 60.1156 26.653 -25.2313 26.653 -24.6584 33.6372 -25.2313 33.6372 4.60293 GPRESSAVG: 1119600 61.1774 27.5581 -28.1567 26.9029 -25.388 33.429 -24.8559 32.3589 4.80746 TIMING: 1119600 CPU: 3336.5, 0.00303702/step Wall: 3336.5, 0.00303702/step, 3.27357 hours remaining, 205.988281 MB of memory in use. ENERGY: 1119600 762.0281 2071.6447 1906.8260 111.6786 -206137.1068 17797.0184 0.0000 0.0000 33985.2542 -149502.6569 296.8017 -183487.9111 -149404.6453 298.3893 -15.4175 16.2219 557560.9119 13.3534 13.5323 PRESSURE: 1119800 -159.355 -42.1417 -128.936 -42.1412 13.8821 156.543 -128.936 156.542 -192.533 GPRESSURE: 1119800 -105.742 4.63026 -104.085 -63.661 24.4001 90.8636 -89.8851 128.062 -155.841 PRESSAVG: 1119800 1.75711 15.3222 -8.9407 15.3221 -39.0682 -22.0575 -8.94076 -22.0574 4.42005 GPRESSAVG: 1119800 1.09614 14.0705 -8.93535 14.9465 -39.2001 -22.5269 -8.90955 -20.0073 5.14052 TIMING: 1119800 CPU: 3337.1, 0.00299479/step Wall: 3337.1, 0.00299479/step, 3.22788 hours remaining, 205.988281 MB of memory in use. ENERGY: 1119800 780.3991 2031.5603 1918.6460 108.0067 -206161.2256 17711.8986 0.0000 0.0000 34110.6585 -149500.0565 297.8969 -183610.7150 -149411.6418 298.5094 -112.6687 -79.0609 557765.0784 -10.9637 -10.9878 PRESSURE: 1120000 86.8514 -34.1334 76.4572 -34.1344 -231.843 -113.687 76.457 -113.687 -8.47976 GPRESSURE: 1120000 111.383 -105.867 22.8948 78.9722 -154.445 -108.722 28.4232 -62.0581 -16.5959 PRESSAVG: 1120000 102.641 -26.5304 -48.5758 -26.5304 29.3739 -30.2942 -48.5758 -30.2942 -117.589 GPRESSAVG: 1120000 102.055 -25.9021 -47.6496 -26.5078 29.8781 -30.5054 -48.7973 -31.0147 -118.202 TIMING: 1120000 CPU: 3337.7, 0.00297484/step Wall: 3337.7, 0.00297483/step, 3.20621 hours remaining, 205.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1120000 738.3558 2027.7867 1939.2081 110.5121 -206456.8877 17741.6543 0.0000 0.0000 34313.0349 -149586.3358 299.6643 -183899.3707 -149490.9598 298.0777 -51.1570 -19.8858 558190.7660 4.8085 4.5771 PRESSURE: 1120200 179.871 16.9498 -31.0046 16.9503 -105.321 33.2074 -31.0032 33.2081 -286.37 GPRESSURE: 1120200 123.35 -25.5327 12.6075 -28.302 -71.6102 75.6362 -137.365 45.7812 -175.379 PRESSAVG: 1120200 31.0246 -51.366 -5.67008 -51.3661 50.2662 -50.0684 -5.67016 -50.0685 -59.1413 GPRESSAVG: 1120200 29.3819 -52.5353 -5.69462 -50.0071 50.2323 -49.515 -4.55857 -48.8602 -56.9503 TIMING: 1120200 CPU: 3338.29, 0.00298372/step Wall: 3338.29, 0.00298372/step, 3.21562 hours remaining, 205.988281 MB of memory in use. ENERGY: 1120200 729.5056 2114.5567 1926.6894 114.8514 -206132.2051 17634.7753 0.0000 0.0000 34180.0169 -149431.8098 298.5026 -183611.8267 -149336.6655 298.6849 -70.6065 -41.2129 557752.6879 7.3831 7.5546 LDB: ============= START OF LOAD BALANCING ============== 3341.84 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3341.84 LDB: =============== DONE WITH MIGRATION ================ 3341.84 LDB: ============= START OF LOAD BALANCING ============== 3342.14 LDB: Largest compute 4796 load 0.027142 is 23.0% of average load 0.118153 LDB: Average compute 0.001729 is 1.5% of average load 0.118153 LDB: TIME 3342.14 LOAD: AVG 0.118153 MAX 0.208784 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.27 MB LDB: TIME 3342.14 LOAD: AVG 0.118153 MAX 0.208784 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.27 MB LDB: TIME 3342.14 LOAD: AVG 0.118153 MAX 0.208784 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.27 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3342.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3342.14 PRESSURE: 1120400 -96.9642 -62.7364 -5.26526 -62.7353 -209.326 51.3228 -5.26483 51.3213 50.062 GPRESSURE: 1120400 -23.2223 -57.0466 -11.4437 -75.5116 -148.505 54.2355 -0.324654 36.2235 13.8918 PRESSAVG: 1120400 3.88677 54.5305 42.7022 54.5304 -65.7631 -40.4779 42.7022 -40.478 59.3683 GPRESSAVG: 1120400 5.37082 53.8424 43.904 54.9113 -65.6136 -40.38 42.2434 -40.7704 58.2354 TIMING: 1120400 CPU: 3338.89, 0.00301312/step Wall: 3338.89, 0.00301312/step, 3.24713 hours remaining, 207.078125 MB of memory in use. ENERGY: 1120400 710.0367 2016.7750 1950.3400 116.7479 -206224.7746 17817.9061 0.0000 0.0000 34274.0132 -149338.9555 299.3235 -183612.9688 -149240.0249 298.7253 -85.4094 -52.6119 559175.7618 -0.8360 -0.6691 PRESSURE: 1120600 -141.389 -125.633 26.9502 -125.634 -195.374 -49.0461 26.9514 -49.0478 -74.0188 GPRESSURE: 1120600 -119.698 -156.085 -22.4692 -112.882 -135.915 -44.4954 60.6563 -57.4693 -44.6702 PRESSAVG: 1120600 56.4438 31.9586 13.7284 31.9585 -40.008 10.8272 13.7283 10.8271 -45.9412 GPRESSAVG: 1120600 57.6743 33.4267 11.3917 32.8853 -41.0881 9.29387 12.8598 13.8105 -45.9893 TIMING: 1120600 CPU: 3339.49, 0.00296875/step Wall: 3339.49, 0.00296875/step, 3.19916 hours remaining, 207.078125 MB of memory in use. ENERGY: 1120600 771.8041 2112.1508 1926.6120 128.8154 -206147.5921 17704.5747 0.0000 0.0000 34330.5293 -149173.1057 299.8171 -183503.6350 -149071.2251 299.6492 -136.9274 -100.0945 556750.6325 -9.8352 -9.8010 PRESSURE: 1120800 -269.746 -112.443 -92.3432 -112.444 154.661 -11.1954 -92.3425 -11.1955 59.9021 GPRESSURE: 1120800 -278.894 -165.356 -111.435 -88.5575 193.981 -58.9578 -115.23 -42.4247 115.819 PRESSAVG: 1120800 -12.8815 -8.93859 20.5735 -8.93864 88.9563 32.5856 20.5735 32.5856 -35.5355 GPRESSAVG: 1120800 -12.8825 -8.3899 23.2217 -10.8894 89.7911 34.9271 19.3895 28.3278 -36.545 TIMING: 1120800 CPU: 3340.09, 0.00302438/step Wall: 3340.09, 0.00302438/step, 3.25893 hours remaining, 207.078125 MB of memory in use. ENERGY: 1120800 752.5282 2090.7598 1934.9780 111.5230 -206218.1610 17712.2466 0.0000 0.0000 34294.6408 -149321.4846 299.5036 -183616.1254 -149220.6753 299.9609 -18.3942 10.3021 555472.1353 13.5131 13.4545 PRESSURE: 1121000 153.594 124.229 195.557 124.229 -11.6706 120.096 195.557 120.096 142.621 GPRESSURE: 1121000 184.462 93.5283 301.948 133.909 24.8262 186.36 131.614 142.556 175.114 PRESSAVG: 1121000 18.3205 -55.2378 49.0155 -55.2378 -15.6105 18.9678 49.0155 18.9676 12.6746 GPRESSAVG: 1121000 18.1301 -55.5414 47.6311 -54.648 -16.506 18.406 48.1411 20.6829 13.3304 TIMING: 1121000 CPU: 3340.69, 0.00299935/step Wall: 3340.69, 0.00299935/step, 3.23179 hours remaining, 207.078125 MB of memory in use. ENERGY: 1121000 743.5358 2065.1082 1944.1311 124.6590 -206452.6853 18005.6028 0.0000 0.0000 34329.6423 -149240.0062 299.8093 -183569.6484 -149140.6475 299.8925 94.8481 128.1343 555015.2854 5.1282 4.9849 PRESSURE: 1121200 401.089 -162.15 -40.4701 -162.15 -35.8355 -92.952 -40.4682 -92.9515 -77.9085 GPRESSURE: 1121200 482.156 -143.82 -14.3809 -123.544 -3.57377 -68.5874 -54.6509 -90.8212 -84.9968 PRESSAVG: 1121200 87.1425 26.7875 -5.79395 26.7874 -17.8311 35.47 -5.79388 35.4701 -43.8926 GPRESSAVG: 1121200 88.2633 26.3811 -3.79167 28.0138 -18.5809 35.0587 -4.50889 34.843 -43.8454 TIMING: 1121200 CPU: 3341.29, 0.00297599/step Wall: 3341.29, 0.00297599/step, 3.20646 hours remaining, 207.078125 MB of memory in use. ENERGY: 1121200 715.5711 2035.1709 1935.0650 109.7130 -206064.7751 17739.5710 0.0000 0.0000 34223.7318 -149305.9523 298.8844 -183529.6841 -149208.7235 299.6388 95.7815 131.1951 556561.0501 8.4729 8.6123 PRESSURE: 1121400 -90.2792 50.6731 -23.7338 50.6733 -213.745 -71.1395 -23.7337 -71.142 15.2133 GPRESSURE: 1121400 -78.0831 135.552 -104.996 12.3919 -130.551 -5.46687 59.6325 -77.5871 19.8626 PRESSAVG: 1121400 23.5515 -22.0291 3.7196 -22.0291 -30.0553 -13.4424 3.71956 -13.4424 42.5193 GPRESSAVG: 1121400 23.4532 -22.1899 2.08778 -24.0074 -28.7328 -15.0529 3.11965 -11.7546 41.4998 TIMING: 1121400 CPU: 3341.89, 0.00300947/step Wall: 3341.89, 0.00300947/step, 3.24237 hours remaining, 207.078125 MB of memory in use. ENERGY: 1121400 745.5106 2093.5070 1927.9045 106.7038 -206313.5909 17803.6704 0.0000 0.0000 34406.8860 -149229.4086 300.4839 -183636.2945 -149137.5105 299.5714 -96.2702 -62.9239 557274.7680 12.0052 12.0734 PRESSURE: 1121600 -27.0487 -38.9624 -77.5575 -38.9617 -116.997 -194.119 -77.5572 -194.118 -136.866 GPRESSURE: 1121600 -17.3704 -7.4083 -69.2149 -121.918 -69.8234 -240.787 -55.9916 -113.46 -89.4443 PRESSAVG: 1121600 56.0421 -7.29282 -17.4231 -7.2928 -36.4967 10.2544 -17.4231 10.2543 -4.21041 GPRESSAVG: 1121600 54.8327 -5.87766 -17.9468 -7.8822 -36.6529 11.6234 -17.5914 10.3215 -2.53101 TIMING: 1121600 CPU: 3342.49, 0.00302182/step Wall: 3342.49, 0.00302181/step, 3.2555 hours remaining, 207.078125 MB of memory in use. ENERGY: 1121600 731.5317 2020.5387 1917.3187 102.3197 -205643.8878 17387.8532 0.0000 0.0000 34220.5941 -149263.7316 298.8570 -183484.3258 -149158.6823 299.6395 -93.6369 -58.8794 556812.8797 5.1116 5.2162 PRESSURE: 1121800 198.205 -51.5247 -24.0696 -51.5244 -51.2838 -126.88 -24.0695 -126.879 154.165 GPRESSURE: 1121800 285.567 -27.917 18.6749 -123.37 -50.9767 -92.3606 28.1359 -138.983 166.105 PRESSAVG: 1121800 58.487 -8.15014 53.4273 -8.1502 -11.9047 -64.4918 53.4274 -64.4918 11.458 GPRESSAVG: 1121800 58.7618 -7.41116 54.0568 -8.8311 -12.5196 -64.5637 54.0652 -65.6268 11.7916 TIMING: 1121800 CPU: 3343.09, 0.00299876/step Wall: 3343.09, 0.00299876/step, 3.2305 hours remaining, 207.078125 MB of memory in use. ENERGY: 1121800 742.0848 2134.0833 1901.1883 98.7640 -206654.6612 17974.0451 0.0000 0.0000 34372.4662 -149432.0295 300.1833 -183804.4956 -149336.4878 299.3436 100.3622 133.5652 555870.3687 19.3468 19.3446 PRESSURE: 1122000 102.655 -86.0217 89.8322 -86.0218 111.421 -276.389 89.8335 -276.388 436.433 GPRESSURE: 1122000 183.748 -133.173 84.9995 -20.6572 139.741 -317.164 163.41 -220.096 429.836 PRESSAVG: 1122000 28.5329 2.12294 13.7189 2.12305 -37.3668 -42.1822 13.719 -42.1821 0.346263 GPRESSAVG: 1122000 28.3302 -1.51505 14.7105 4.34564 -36.0982 -43.3856 12.9458 -41.1506 -0.103434 TIMING: 1122000 CPU: 3343.69, 0.00299389/step Wall: 3343.69, 0.00299389/step, 3.22509 hours remaining, 207.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1122000 710.5702 2063.7370 1907.1695 127.1088 -206682.2160 18107.7860 0.0000 0.0000 34236.4565 -149529.3881 298.9955 -183765.8446 -149425.7639 298.6669 216.8365 251.1085 555847.6615 -2.8292 -2.6238 PRESSURE: 1122200 263.021 -99.0619 122.547 -99.0609 262.374 -15.3983 122.546 -15.3993 231.496 GPRESSURE: 1122200 277.476 -68.8912 211.505 -47.519 336.938 -17.4649 80.3887 -70.2082 245.32 PRESSAVG: 1122200 48.7152 -48.4713 22.6858 -48.4712 -66.6437 -45.9258 22.6857 -45.9259 42.3337 GPRESSAVG: 1122200 49.8969 -47.145 22.3217 -49.2115 -67.6043 -44.9931 22.8254 -47.8973 41.7018 TIMING: 1122200 CPU: 3344.3, 0.0030117/step Wall: 3344.3, 0.0030117/step, 3.2441 hours remaining, 207.078125 MB of memory in use. ENERGY: 1122200 716.6391 2098.6592 1922.5512 111.8812 -206742.9838 18186.3526 0.0000 0.0000 34170.3440 -149536.5565 298.4181 -183706.9005 -149449.0654 298.9446 252.2971 286.5781 556359.8355 8.1351 7.9981 PRESSURE: 1122400 -53.2578 36.9344 -34.0532 36.9342 -103.115 105.916 -34.054 105.916 36.6649 GPRESSURE: 1122400 -54.5295 27.9061 -3.17754 65.075 -47.4373 9.39592 8.05657 97.0617 69.1686 PRESSAVG: 1122400 -19.778 68.0788 32.6575 68.0789 3.04011 1.09967 32.6575 1.09954 -1.23419 GPRESSAVG: 1122400 -20.9833 68.4911 31.8495 67.7001 3.33595 2.45688 31.3493 -0.524219 -0.542879 TIMING: 1122400 CPU: 3344.9, 0.00300083/step Wall: 3344.9, 0.00300083/step, 3.23223 hours remaining, 207.078125 MB of memory in use. ENERGY: 1122400 692.6154 2075.3783 1900.3104 119.6901 -206137.7613 17533.7743 0.0000 0.0000 34286.8791 -149529.1137 299.4358 -183815.9928 -149434.3416 299.3347 -39.9025 -10.9327 556842.7094 -5.9907 -6.0634 PRESSURE: 1122600 -265.542 170.374 -42.5382 170.374 -219.437 -192.487 -42.5382 -192.487 58.3214 GPRESSURE: 1122600 -190.425 190.171 -27.4871 91.237 -206.604 -164.847 -37.5279 -218.186 55.7546 PRESSAVG: 1122600 7.92847 54.0971 11.1801 54.097 -105.038 12.0024 11.1803 12.0022 61.1879 GPRESSAVG: 1122600 6.63104 53.2051 10.6303 55.0323 -104.497 9.64325 12.6465 16.0904 61.6918 TIMING: 1122600 CPU: 3345.5, 0.00303154/step Wall: 3345.5, 0.00303154/step, 3.26513 hours remaining, 207.078125 MB of memory in use. ENERGY: 1122600 748.0335 2095.9446 1920.0457 97.1341 -205891.0849 17551.2792 0.0000 0.0000 34247.7898 -149230.8579 299.0945 -183478.6477 -149130.7206 299.1203 -142.2193 -113.7579 558266.3768 -11.9740 -12.0582 PRESSURE: 1122800 -13.8441 -29.1099 28.6585 -29.1099 -141.601 37.0457 28.6598 37.0467 215.194 GPRESSURE: 1122800 -11.1895 -59.8174 12.4761 -71.951 -81.8 112.444 54.4017 -8.76791 246.002 PRESSAVG: 1122800 57.0254 11.2343 60.2669 11.2342 -48.7019 27.3912 60.2669 27.3912 20.9696 GPRESSAVG: 1122800 58.497 10.1741 60.4727 10.6622 -47.9809 28.5996 60.4483 24.9153 19.2287 TIMING: 1122800 CPU: 3346.1, 0.00301217/step Wall: 3346.1, 0.00301217/step, 3.24411 hours remaining, 207.078125 MB of memory in use. ENERGY: 1122800 730.5431 2127.7903 1949.1606 105.1767 -206259.4677 17713.8119 0.0000 0.0000 34341.7620 -149291.2232 299.9151 -183632.9852 -149195.5262 299.4689 19.9162 51.0043 557413.5863 9.7644 9.9149 PRESSURE: 1123000 42.7335 153.312 -69.3712 153.314 143.181 -115.553 -69.3717 -115.553 -161.691 GPRESSURE: 1123000 100.056 63.9891 -78.1853 203.959 130.681 -107.095 -48.6601 -119.471 -105.754 PRESSAVG: 1123000 -10.6558 56.5152 -7.69959 56.5152 32.4272 -53.1786 -7.69955 -53.1787 -7.23713 GPRESSAVG: 1123000 -10.8795 57.0751 -8.07124 56.4303 30.6953 -53.2457 -7.11389 -53.2068 -5.85259 TIMING: 1123000 CPU: 3346.71, 0.00302712/step Wall: 3346.71, 0.00302712/step, 3.26004 hours remaining, 207.078125 MB of memory in use. ENERGY: 1123000 743.3381 2058.4077 1915.3008 122.3999 -206165.9450 17651.7397 0.0000 0.0000 34225.6037 -149449.1550 298.9007 -183674.7587 -149351.3534 298.9266 8.0746 41.6608 557238.4863 4.8448 4.6544 PRESSURE: 1123200 96.2438 -28.9446 -92.7659 -28.9435 139.859 -48.5555 -92.7656 -48.5548 149.069 GPRESSURE: 1123200 113.768 -71.9995 -99.1642 -102.396 209.87 22.3112 -90.6166 -51.6098 171.52 PRESSAVG: 1123200 -54.2419 15.8507 -14.9105 15.8508 14.1094 -17.2751 -14.9105 -17.275 -17.3852 GPRESSAVG: 1123200 -53.3748 14.1377 -13.3989 15.5345 13.914 -17.0834 -17.717 -18.0992 -17.8601 TIMING: 1123200 CPU: 3347.31, 0.00301874/step Wall: 3347.31, 0.00301874/step, 3.25085 hours remaining, 207.078125 MB of memory in use. ENERGY: 1123200 738.5752 2063.7419 1944.2198 114.0154 -206155.9014 17870.9325 0.0000 0.0000 34066.5579 -149357.8588 297.5117 -183424.4167 -149271.3280 298.9024 128.3904 165.0523 557835.4053 -19.1726 -19.1070 PRESSURE: 1123400 49.8379 22.8464 -43.4612 22.8463 48.6537 21.0721 -43.4612 21.0719 -202.039 GPRESSURE: 1123400 121.08 21.6398 -57.1708 38.0043 42.5993 91.1615 -85.238 -69.0311 -189.044 PRESSAVG: 1123400 24.4922 56.7166 23.2242 56.7167 -47.2602 -26.1056 23.2243 -26.1057 2.83136 GPRESSAVG: 1123400 25.0593 57.7032 21.3642 58.8437 -47.8003 -27.5484 25.7349 -24.6618 2.77928 TIMING: 1123400 CPU: 3347.91, 0.00298839/step Wall: 3347.91, 0.00298839/step, 3.21799 hours remaining, 207.078125 MB of memory in use. ENERGY: 1123400 730.5615 2042.5630 1946.5644 117.7636 -206339.9043 17916.5533 0.0000 0.0000 34147.1004 -149438.7982 298.2151 -183585.8986 -149345.7800 298.4769 -34.5158 -8.4548 560089.0473 -6.6455 -6.6539 PRESSURE: 1123600 162.204 98.7265 -19.558 98.7263 -25.9811 7.18467 -19.5572 7.18536 82.394 GPRESSURE: 1123600 225.751 53.2769 -22.1045 97.1852 23.4756 -126.149 55.646 24.0473 76.6921 PRESSAVG: 1123600 65.5687 65.258 -48.6219 65.258 -23.7299 -49.8315 -48.6218 -49.8316 -30.5993 GPRESSAVG: 1123600 64.5306 68.0451 -50.0168 62.7658 -23.8341 -48.893 -49.3122 -47.8378 -29.6452 TIMING: 1123600 CPU: 3348.51, 0.00298739/step Wall: 3348.51, 0.00298739/step, 3.21676 hours remaining, 207.078125 MB of memory in use. ENERGY: 1123600 724.6681 2130.4763 1936.0945 106.9765 -206567.7957 17981.5140 0.0000 0.0000 34169.0775 -149518.9888 298.4071 -183688.0662 -149423.9866 298.6130 72.8724 108.6395 558815.4421 3.7465 3.6838 PRESSURE: 1123800 -125.035 -73.7578 -158.626 -73.7566 133.193 8.14565 -158.626 8.144 19.2101 GPRESSURE: 1123800 -138.726 -84.5821 -114.31 -85.5767 153.418 -67.9842 -272.979 16.5977 99.8033 PRESSAVG: 1123800 42.1945 -44.3592 -7.92574 -44.3592 -35.3363 9.88972 -7.92585 9.88965 -3.3294 GPRESSAVG: 1123800 41.6066 -45.7248 -7.0129 -43.8353 -34.0976 9.47287 -7.57577 7.93781 -4.80553 TIMING: 1123800 CPU: 3349.11, 0.00298338/step Wall: 3349.11, 0.00298338/step, 3.21227 hours remaining, 207.078125 MB of memory in use. ENERGY: 1123800 763.6494 2073.7695 1953.6063 116.4803 -206509.1667 17961.8770 0.0000 0.0000 34133.7926 -149505.9916 298.0989 -183639.7842 -149408.5120 298.3059 9.1229 38.1651 557419.3008 1.1763 0.9012 PRESSURE: 1124000 228.987 49.4443 -92.3415 49.4456 -30.5986 40.9518 -92.3422 40.9509 114.181 GPRESSURE: 1124000 249.804 99.0044 -80.3956 54.751 22.7252 103.495 -78.2832 -62.5771 149.002 PRESSAVG: 1124000 85.8093 -18.6265 -49.6335 -18.6264 -0.58134 7.42159 -49.6335 7.42163 -35.6193 GPRESSAVG: 1124000 85.8422 -18.9996 -50.6675 -18.9518 -0.983601 6.34948 -49.9328 9.21612 -34.6208 TIMING: 1124000 CPU: 3349.69, 0.00294446/step Wall: 3349.69, 0.00294446/step, 3.1702 hours remaining, 207.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1124000 724.2828 2094.5926 1913.9050 120.3761 -206262.5233 17900.9346 0.0000 0.0000 34271.6132 -149236.8191 299.3025 -183508.4323 -149136.4611 298.7162 104.1895 140.5103 557215.1347 16.5362 16.7459 PRESSURE: 1124200 -329.097 -124.626 -144.434 -124.626 114.814 -43.0041 -144.433 -43.0035 -106.743 GPRESSURE: 1124200 -238.307 -122.386 -173.792 -174.514 109.116 -23.2594 -107.757 -33.4533 -103.379 PRESSAVG: 1124200 -43.1115 44.9994 -46.6094 44.9995 -32.9928 -27.1058 -46.6095 -27.1058 51.4286 GPRESSAVG: 1124200 -43.1362 43.9517 -46.791 46.1403 -31.9682 -27.1302 -44.3521 -28.0811 50.8667 TIMING: 1124200 CPU: 3350.29, 0.00298669/step Wall: 3350.29, 0.00298669/step, 3.21551 hours remaining, 207.078125 MB of memory in use. ENERGY: 1124200 761.7512 2100.6323 1911.7039 102.2901 -205915.3004 17563.5450 0.0000 0.0000 34350.4433 -149124.9345 299.9910 -183475.3779 -149026.5211 299.9603 -107.0086 -77.5234 557140.4033 -8.2252 -8.0793 LDB: ============= START OF LOAD BALANCING ============== 3353.84 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3353.84 LDB: =============== DONE WITH MIGRATION ================ 3353.84 LDB: ============= START OF LOAD BALANCING ============== 3354.14 LDB: Largest compute 4796 load 0.027503 is 23.3% of average load 0.118256 LDB: Average compute 0.001729 is 1.5% of average load 0.118256 LDB: TIME 3354.14 LOAD: AVG 0.118256 MAX 0.208372 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.336 MB LDB: TIME 3354.14 LOAD: AVG 0.118256 MAX 0.208372 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.336 MB LDB: TIME 3354.14 LOAD: AVG 0.118256 MAX 0.208372 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.336 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3354.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3354.15 PRESSURE: 1124400 11.0872 -133.674 -73.2494 -133.673 -60.6762 -161.139 -73.2492 -161.138 232.335 GPRESSURE: 1124400 27.4321 -113.78 -108.567 -157.049 7.92436 -193.164 -44.0639 -136.855 258.894 PRESSAVG: 1124400 19.7843 34.8251 -61.4725 34.8251 34.5151 -19.851 -61.4725 -19.851 -0.24593 GPRESSAVG: 1124400 19.2951 38.1452 -61.1748 33.0816 33.9135 -19.6977 -62.0368 -19.2508 1.02791 TIMING: 1124400 CPU: 3350.9, 0.00302908/step Wall: 3350.9, 0.00302908/step, 3.26097 hours remaining, 206.367188 MB of memory in use. ENERGY: 1124400 770.6057 2063.3651 1927.3089 116.9479 -206294.3328 17815.4120 0.0000 0.0000 34466.3689 -149134.3243 301.0034 -183600.6933 -149037.4357 300.6843 60.9154 98.0836 556492.2544 18.0178 18.0788 PRESSURE: 1124600 -154.994 184.771 28.8255 184.772 -36.6206 -29.0103 28.8275 -29.0109 -175.171 GPRESSURE: 1124600 -116.656 195.585 -53.4715 123.178 -36.2364 35.2915 38.5328 -37.95 -121.02 PRESSAVG: 1124600 -21.398 20.4363 -16.6955 20.4363 46.8456 -26.1205 -16.6955 -26.1205 23.7428 GPRESSAVG: 1124600 -21.4722 19.4816 -15.0981 19.7183 48.6796 -25.3738 -19.7512 -27.7198 22.4269 TIMING: 1124600 CPU: 3351.49, 0.00298126/step Wall: 3351.49, 0.00298126/step, 3.20933 hours remaining, 206.367188 MB of memory in use. ENERGY: 1124600 757.7373 2074.9221 1889.7391 117.4566 -206291.8537 17891.5387 0.0000 0.0000 34281.7244 -149278.7356 299.3908 -183560.4600 -149178.0064 300.5632 -122.2619 -91.3040 557615.6014 16.3968 16.5448 PRESSURE: 1124800 80.1646 65.8834 19.446 65.8831 15.0149 -6.3225 19.4462 -6.32309 -42.8072 GPRESSURE: 1124800 114.592 111.534 20.2294 129.61 72.7756 25.4567 -20.3984 30.9972 -33.9161 PRESSAVG: 1124800 -38.0194 -3.87989 -59.6288 -3.88 11.2394 25.2732 -59.6287 25.2732 38.7258 GPRESSAVG: 1124800 -38.0197 -5.2612 -59.0721 -3.77385 11.5329 26.1302 -56.3494 26.0507 38.5027 TIMING: 1124800 CPU: 3352.1, 0.00301967/step Wall: 3352.1, 0.00301967/step, 3.25051 hours remaining, 206.367188 MB of memory in use. ENERGY: 1124800 743.7486 2135.3938 1947.1066 118.2303 -206518.7743 17924.2635 0.0000 0.0000 34459.2168 -149190.8147 300.9409 -183650.0315 -149090.5759 299.4668 17.4575 51.1504 556560.8268 3.9819 4.0053 PRESSURE: 1125000 -52.8231 -212.758 23.4927 -212.757 -341.365 38.199 23.4931 38.1979 226.081 GPRESSURE: 1125000 -41.1107 -241.05 -26.2662 -120.934 -248.588 65.904 26.9459 23.6167 207.615 PRESSAVG: 1125000 29.9921 9.73367 18.3383 9.73366 -68.1717 5.93696 18.3383 5.93711 8.47374 GPRESSAVG: 1125000 31.1745 11.3379 17.9618 10.3782 -69.338 5.65843 16.6532 6.24975 8.96748 TIMING: 1125000 CPU: 3352.7, 0.00299835/step Wall: 3352.7, 0.00299835/step, 3.22739 hours remaining, 206.367188 MB of memory in use. ENERGY: 1125000 806.5172 2149.6153 1912.4785 106.7053 -206233.2852 17894.0881 0.0000 0.0000 34203.4200 -149160.4609 298.7070 -183363.8809 -149066.7618 299.4405 -56.0357 -27.3614 557814.1589 -9.9020 -9.7320 PRESSURE: 1125200 130.971 -127.007 -14.6765 -127.006 -137.617 92.4412 -14.6766 92.4421 154.533 GPRESSURE: 1125200 179.719 -124.295 -15.67 -212.546 -116.505 168.134 -15.3285 69.2688 183.281 PRESSAVG: 1125200 -5.14767 20.7609 32.493 20.7609 -28.9899 43.8681 32.4929 43.8681 70.7003 GPRESSAVG: 1125200 -4.72389 20.2727 33.2053 20.4884 -29.7696 44.0354 31.9145 44.3082 71.0523 TIMING: 1125200 CPU: 3353.3, 0.00299362/step Wall: 3353.3, 0.00299362/step, 3.22213 hours remaining, 206.367188 MB of memory in use. ENERGY: 1125200 751.1805 2091.3663 1907.9260 125.2711 -206322.1081 18017.3756 0.0000 0.0000 34191.6074 -149237.3812 298.6038 -183428.9886 -149145.6107 298.9223 49.2955 82.1652 557573.0309 12.1876 12.1863 PRESSURE: 1125400 213.753 -77.6582 14.3442 -77.6586 116.881 34.2873 14.3433 34.2879 -57.03 GPRESSURE: 1125400 181.066 -124.17 -139.869 -79.0675 194.169 -67.6508 92.7512 154.31 -9.28483 PRESSAVG: 1125400 1.80799 9.11964 -12.2748 9.11967 -65.8608 11.8429 -12.2748 11.8429 69.5764 GPRESSAVG: 1125400 0.364823 8.13433 -13.0896 9.17062 -65.1925 10.8477 -10.9016 12.2218 69.5879 TIMING: 1125400 CPU: 3353.89, 0.0029624/step Wall: 3353.89, 0.0029624/step, 3.18836 hours remaining, 206.367188 MB of memory in use. ENERGY: 1125400 769.4802 2080.5583 1907.1256 123.7100 -206661.2747 18169.0772 0.0000 0.0000 34353.8737 -149257.4498 300.0209 -183611.3235 -149165.3155 299.2096 91.2011 121.9834 555989.0249 1.8412 1.5867 PRESSURE: 1125600 -109.232 -13.342 14.6888 -13.3429 8.60018 77.8579 14.6888 77.8578 71.2943 GPRESSURE: 1125600 -70.7604 13.1963 -63.2343 -51.7823 31.8411 129.412 82.6537 65.9171 93.6756 PRESSAVG: 1125600 6.53862 3.01978 17.1257 3.01975 1.15082 33.1741 17.1257 33.174 8.65786 GPRESSAVG: 1125600 5.63236 0.90349 14.5482 4.63704 1.79449 32.4794 16.1876 32.8597 8.1469 TIMING: 1125600 CPU: 3354.49, 0.00301055/step Wall: 3354.49, 0.00301055/step, 3.24002 hours remaining, 206.367188 MB of memory in use. ENERGY: 1125600 794.5803 2128.8387 1916.6937 107.8073 -206325.2428 17916.3878 0.0000 0.0000 34233.2023 -149227.7326 298.9671 -183460.9350 -149137.3256 299.5921 -9.7793 18.2521 557581.2128 5.4491 5.1912 PRESSURE: 1125800 134.13 19.0171 45.8886 19.0166 -202.787 61.7087 45.8881 61.7072 -81.2599 GPRESSURE: 1125800 156.777 29.8275 103.082 44.0825 -210.73 74.248 87.0236 124.292 -20.9923 PRESSAVG: 1125800 17.308 -18.5881 37.2065 -18.588 -44.0664 5.24532 37.2064 5.24534 15.5323 GPRESSAVG: 1125800 18.3915 -16.4258 40.4407 -19.2127 -44.507 5.4438 37.1116 3.79848 14.9899 TIMING: 1125800 CPU: 3355.09, 0.0029904/step Wall: 3355.09, 0.0029904/step, 3.21817 hours remaining, 206.367188 MB of memory in use. ENERGY: 1125800 774.6022 2076.7822 1931.1343 121.3479 -206183.6858 17769.7700 0.0000 0.0000 34246.9430 -149263.1061 299.0871 -183510.0491 -149166.1726 298.8523 -49.9725 -24.9815 556881.1079 -3.7420 -3.7085 PRESSURE: 1126000 194.662 -149.304 -20.5625 -149.304 16.6442 77.2719 -20.5635 77.2726 -94.2409 GPRESSURE: 1126000 192.491 -104.36 -78.8631 -160.496 86.0977 175.99 36.5426 2.88251 -67.2195 PRESSAVG: 1126000 99.8694 -17.4369 23.7283 -17.4371 -74.6725 26.3555 23.7282 26.3556 -34.8603 GPRESSAVG: 1126000 99.382 -17.6465 22.4496 -18.4424 -74.6386 28.55 23.8279 25.6715 -34.8914 TIMING: 1126000 CPU: 3355.69, 0.00300146/step Wall: 3355.69, 0.00300146/step, 3.2299 hours remaining, 206.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1126000 791.9136 2051.3022 1930.7978 118.7838 -206647.5964 18032.3445 0.0000 0.0000 34460.6572 -149261.7972 300.9535 -183722.4544 -149168.5496 299.2333 39.0217 70.4564 557326.0848 -3.2211 -3.3827 PRESSURE: 1126200 92.0245 -15.1148 -45.1448 -15.1155 3.57933 -60.7795 -45.1453 -60.7784 -107.075 GPRESSURE: 1126200 169.803 -41.0661 -25.229 14.1317 -0.873412 -41.0089 2.51489 -91.1349 -83.2054 PRESSAVG: 1126200 -12.6156 -11.1563 -68.2663 -11.1563 74.149 0.807772 -68.2663 0.807803 -37.7827 GPRESSAVG: 1126200 -12.5917 -11.3865 -70.0417 -11.9146 73.8036 -0.684431 -65.8978 4.12951 -37.9168 TIMING: 1126200 CPU: 3356.28, 0.00297353/step Wall: 3356.28, 0.00297353/step, 3.19968 hours remaining, 206.367188 MB of memory in use. ENERGY: 1126200 774.0870 2115.0488 1930.0044 135.4702 -206450.3869 17832.3364 0.0000 0.0000 34109.2415 -149554.1985 297.8845 -183663.4400 -149462.6620 299.6566 -3.8239 28.5746 557482.3030 7.9169 7.7651 PRESSURE: 1126400 -345.316 -9.80746 139.979 -9.80812 -202.706 84.2165 139.98 84.2159 -393.631 GPRESSURE: 1126400 -237.632 -6.2218 108.335 -35.502 -217.497 89.7683 218.34 88.8842 -392.568 PRESSAVG: 1126400 28.6916 -17.459 -2.45932 -17.459 -47.0049 -15.1337 -2.4594 -15.1338 16.801 GPRESSAVG: 1126400 28.373 -16.6135 -0.987498 -16.0721 -47.4576 -13.2281 -4.29676 -14.9649 17.253 TIMING: 1126400 CPU: 3356.88, 0.00297309/step Wall: 3356.88, 0.00297309/step, 3.19905 hours remaining, 206.367188 MB of memory in use. ENERGY: 1126400 761.3843 2066.6449 1952.5661 120.1752 -206057.9536 17446.1144 0.0000 0.0000 34298.4990 -149412.5696 299.5373 -183711.0686 -149310.4301 299.0129 -313.8841 -282.5654 557054.4422 -0.5041 -0.6105 PRESSURE: 1126600 -131.145 -1.17085 64.0892 -1.17165 -130.01 1.61893 64.0894 1.61937 -261.748 GPRESSURE: 1126600 -112.322 25.6805 78.3974 44.732 -124.993 48.7124 50.597 -27.7631 -191.848 PRESSAVG: 1126600 0.493801 -8.40865 -42.4109 -8.40858 -35.5304 6.44052 -42.411 6.44048 32.6925 GPRESSAVG: 1126600 -0.4021 -8.45718 -42.7982 -9.04021 -35.2723 4.75097 -42.3062 4.8758 33.629 TIMING: 1126600 CPU: 3357.48, 0.0029873/step Wall: 3357.48, 0.0029873/step, 3.21417 hours remaining, 206.367188 MB of memory in use. ENERGY: 1126600 782.0276 2045.6858 1943.3823 103.3824 -206055.8189 17614.0837 0.0000 0.0000 34441.0718 -149126.1852 300.7824 -183567.2570 -149026.4175 298.8167 -174.3010 -143.0545 556503.6678 -0.7813 -0.6818 PRESSURE: 1126800 -199.914 92.2556 -20.7371 92.256 -211.037 -94.0304 -20.7374 -94.0321 -197.463 GPRESSURE: 1126800 -161.279 78.233 -33.7569 126.302 -172.143 -89.6476 19.9745 -123.595 -177.017 PRESSAVG: 1126800 7.12399 29.7826 27.1923 29.7826 20.8672 -23.8701 27.1923 -23.87 74.2667 GPRESSAVG: 1126800 7.90408 27.4534 26.9815 30.635 21.3726 -24.1646 27.9793 -23.726 72.7218 TIMING: 1126800 CPU: 3358.07, 0.00296811/step Wall: 3358.07, 0.00296811/step, 3.19336 hours remaining, 206.367188 MB of memory in use. ENERGY: 1126800 787.8066 2078.0687 1943.0117 115.3437 -205641.8534 17501.7515 0.0000 0.0000 34123.6475 -149092.2236 298.0103 -183215.8711 -148992.0959 299.9925 -202.8048 -170.1463 558677.6883 34.0860 33.9995 PRESSURE: 1127000 84.6412 -39.675 -22.6214 -39.6759 3.25206 73.1373 -22.622 73.1362 -71.7609 GPRESSURE: 1127000 104.265 -46.4276 20.4613 31.6531 35.6955 44.5049 -69.0871 113.132 -27.1599 PRESSAVG: 1127000 -84.5397 3.53537 11.3384 3.53542 33.9665 -3.98355 11.3384 -3.98355 29.844 GPRESSAVG: 1127000 -84.0905 3.19673 11.3462 3.35574 33.3373 -2.00544 11.727 -4.78618 30.3519 TIMING: 1127000 CPU: 3358.67, 0.00297908/step Wall: 3358.67, 0.00297908/step, 3.20499 hours remaining, 206.367188 MB of memory in use. ENERGY: 1127000 743.4652 2051.9348 1925.5164 123.5380 -206390.8563 18071.8637 0.0000 0.0000 34178.6067 -149295.9315 298.4903 -183474.5382 -149193.5171 299.2448 5.3774 37.6003 557842.2395 -6.9097 -6.8004 PRESSURE: 1127200 60.4449 56.6936 21.3438 56.6949 94.0137 -95.749 21.3444 -95.7486 110.709 GPRESSURE: 1127200 86.0455 100.083 -66.3094 142.448 111.564 -65.4694 117.774 -47.3493 148.457 PRESSAVG: 1127200 32.5133 11.0195 9.96562 11.0194 -41.3919 39.5207 9.96543 39.5207 16.5382 GPRESSAVG: 1127200 32.1778 12.1215 12.0925 8.8425 -40.2793 37.8293 10.0793 40.6409 15.4349 TIMING: 1127200 CPU: 3359.26, 0.00297733/step Wall: 3359.26, 0.00297733/step, 3.20294 hours remaining, 206.367188 MB of memory in use. ENERGY: 1127200 742.9989 2127.8841 1940.4611 108.8826 -206560.2857 17838.6836 0.0000 0.0000 34486.0114 -149315.3640 301.1749 -183801.3753 -149225.6639 298.7938 88.3890 115.3556 557336.5954 2.5532 2.4445 PRESSURE: 1127400 6.92323 -1.50716 120.846 -1.50707 -243.284 -96.6801 120.846 -96.6798 37.8181 GPRESSURE: 1127400 -8.6505 -47.6271 82.5596 43.7602 -136.124 -123.502 73.026 -132.3 48.753 PRESSAVG: 1127400 27.5894 -32.0475 -18.332 -32.0475 -78.8304 -52.3103 -18.3319 -52.3105 38.5157 GPRESSAVG: 1127400 27.1071 -33.5051 -19.2533 -30.4416 -78.5179 -51.1905 -19.5989 -52.4111 37.9531 TIMING: 1127400 CPU: 3359.85, 0.00295355/step Wall: 3359.85, 0.00295355/step, 3.1772 hours remaining, 206.367188 MB of memory in use. ENERGY: 1127400 780.9384 2137.7381 1920.3299 109.2755 -206466.9023 17774.2928 0.0000 0.0000 34327.9523 -149416.3753 299.7945 -183744.3276 -149325.8206 299.1223 -66.1810 -32.0073 556504.5348 -4.2418 -4.4859 PRESSURE: 1127600 -44.467 -12.7655 92.2886 -12.7639 -148.776 50.4603 92.2884 50.4612 -162.608 GPRESSURE: 1127600 -0.00371152 -28.3495 87.7576 -16.5132 -109.326 -16.3126 115.682 47.0989 -152.736 PRESSAVG: 1127600 33.0554 22.3993 51.7094 22.3993 -75.7976 5.902 51.7094 5.902 9.89182 GPRESSAVG: 1127600 34.6289 23.5843 50.8916 21.2908 -77.9242 7.58375 51.6688 5.71685 10.705 TIMING: 1127600 CPU: 3360.45, 0.00299705/step Wall: 3360.45, 0.00299705/step, 3.22383 hours remaining, 206.367188 MB of memory in use. ENERGY: 1127600 784.3355 2163.8927 1919.1099 108.1628 -206216.0696 17682.8325 0.0000 0.0000 34226.9184 -149330.8179 298.9122 -183557.7363 -149226.8043 298.8237 -118.6168 -87.3553 556424.4294 -10.9501 -10.8634 PRESSURE: 1127800 13.4549 -59.6786 -34.0057 -59.6771 108.12 177.137 -34.0063 177.138 33.0135 GPRESSURE: 1127800 32.3425 -71.6216 -12.9102 -94.0691 152.768 177.134 -32.1752 170.013 59.0226 PRESSAVG: 1127800 58.2682 -87.0923 50.8804 -87.0924 -23.3392 50.0863 50.8805 50.0864 -28.47 GPRESSAVG: 1127800 57.3323 -86.3937 52.9386 -86.7277 -21.4328 48.459 50.3114 51.6839 -28.9724 TIMING: 1127800 CPU: 3361.05, 0.00298665/step Wall: 3361.05, 0.00298665/step, 3.21247 hours remaining, 206.367188 MB of memory in use. ENERGY: 1127800 739.6629 2135.6920 1940.0509 115.7021 -206352.7794 17891.1523 0.0000 0.0000 34022.4155 -149508.1036 297.1262 -183530.5191 -149409.9619 298.5404 51.5296 81.3776 556254.2679 2.1530 2.3090 PRESSURE: 1128000 -91.383 73.4096 -2.84529 73.409 -133.285 79.7625 -2.8459 79.7622 -12.6117 GPRESSURE: 1128000 -80.266 192.533 25.9611 18.0114 -111.206 74.8443 -41.9381 55.5672 54.7059 PRESSAVG: 1128000 17.5335 26.0559 28.0452 26.0558 9.65826 -25.1078 28.0452 -25.1078 -14.7682 GPRESSAVG: 1128000 16.068 25.784 27.0684 26.23 8.78013 -26.7828 28.3808 -25.7642 -12.1667 TIMING: 1128000 CPU: 3361.65, 0.00298563/step Wall: 3361.65, 0.00298563/step, 3.21121 hours remaining, 206.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1128000 777.5268 2125.0038 1919.2751 121.1007 -206278.9508 17628.3159 0.0000 0.0000 34167.3861 -149540.3424 298.3923 -183707.7285 -149445.3864 298.4570 -79.0933 -45.5888 556212.3622 4.1412 4.2271 PRESSURE: 1128200 -196.398 34.0788 -25.5739 34.0802 37.1497 -103.206 -25.5741 -103.207 -21.1192 GPRESSURE: 1128200 -153.235 76.2403 -28.81 -16.0271 96.2056 -114.766 18.6365 -112.846 -18.5384 PRESSAVG: 1128200 -4.93191 89.9664 11.122 89.9664 -17.6614 -43.0894 11.1219 -43.0895 25.4579 GPRESSAVG: 1128200 -4.30628 90.2266 11.0279 89.048 -16.6106 -40.837 12.8532 -45.581 23.9776 TIMING: 1128200 CPU: 3362.23, 0.0029465/step Wall: 3362.23, 0.0029465/step, 3.16896 hours remaining, 206.367188 MB of memory in use. ENERGY: 1128200 773.8093 2095.0373 1914.0398 102.7823 -206271.4088 17756.4845 0.0000 0.0000 34060.9187 -149568.3370 297.4625 -183629.2557 -149476.6495 298.3835 -60.1226 -25.1892 556039.7296 0.9549 1.0203 LDB: ============= START OF LOAD BALANCING ============== 3365.78 LDB: ============== END OF LOAD BALANCING =============== 3365.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3365.78 LDB: ============= START OF LOAD BALANCING ============== 3366.08 LDB: Largest compute 4796 load 0.026667 is 22.6% of average load 0.118153 LDB: Average compute 0.001721 is 1.5% of average load 0.118153 LDB: TIME 3366.08 LOAD: AVG 0.118153 MAX 0.209005 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.426 MB LDB: TIME 3366.08 LOAD: AVG 0.118153 MAX 0.209005 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: TIME 3366.08 LOAD: AVG 0.118153 MAX 0.209005 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3366.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3366.09 PRESSURE: 1128400 27.2889 -85.237 -24.7083 -85.2375 105.231 47.7053 -24.7079 47.7037 130.173 GPRESSURE: 1128400 74.4994 -83.6505 -37.5479 -108.838 125.933 1.64491 53.9014 5.39238 155.538 PRESSAVG: 1128400 2.8445 27.513 40.7073 27.5129 23.9126 -43.0552 40.7073 -43.0553 -21.9345 GPRESSAVG: 1128400 3.70103 26.8692 41.0445 30.8577 22.5798 -43.069 40.5264 -40.1668 -21.5766 TIMING: 1128400 CPU: 3362.84, 0.00301716/step Wall: 3362.84, 0.00301716/step, 3.24478 hours remaining, 206.710938 MB of memory in use. ENERGY: 1128400 752.5453 2118.1415 1924.2134 122.9813 -206232.5282 17871.4638 0.0000 0.0000 34185.1794 -149258.0037 298.5477 -183443.1831 -149150.3513 298.8304 87.5642 118.6566 558490.4158 1.6075 1.5681 PRESSURE: 1128600 190.595 -16.0215 -106.328 -16.0188 58.2053 32.066 -106.328 32.066 -20.1828 GPRESSURE: 1128600 198.544 -44.0961 -25.3762 -16.6467 87.9024 18.2771 -151.047 94.6431 30.864 PRESSAVG: 1128600 -0.885305 6.01559 10.8334 6.01564 11.0656 13.291 10.8334 13.2911 0.995709 GPRESSAVG: 1128600 -0.49753 8.39625 10.4369 2.50521 11.7123 12.1106 9.32841 14.3212 0.578321 TIMING: 1128600 CPU: 3363.44, 0.00299367/step Wall: 3363.44, 0.00299367/step, 3.21936 hours remaining, 206.914062 MB of memory in use. ENERGY: 1128600 743.1364 2104.9123 1972.0877 114.8683 -206448.0508 17958.5468 0.0000 0.0000 34417.6297 -149136.8697 300.5777 -183554.4994 -149032.4096 299.5592 76.2057 105.7700 556761.6021 3.7253 3.9310 PRESSURE: 1128800 -77.1428 -25.6486 -145.604 -25.6481 -189.972 137.282 -145.604 137.283 59.5012 GPRESSURE: 1128800 -34.7554 -39.7634 -31.2555 -61.0821 -158.209 175.539 -267.259 56.6124 93.0452 PRESSAVG: 1128800 -21.2281 7.08517 -54.9909 7.0851 -16.9779 51.3039 -54.9908 51.3039 25.9088 GPRESSAVG: 1128800 -21.8489 6.2501 -55.871 8.01669 -16.6394 53.923 -54.9596 47.0683 26.6278 TIMING: 1128800 CPU: 3364.03, 0.00295117/step Wall: 3364.03, 0.00295117/step, 3.17349 hours remaining, 206.914062 MB of memory in use. ENERGY: 1128800 722.6931 2153.3786 1928.5872 104.3868 -206117.7138 17865.6244 0.0000 0.0000 34193.1421 -149149.9016 298.6172 -183343.0437 -149060.7756 299.8533 -69.2045 -33.3064 557436.0640 -4.0991 -3.9535 PRESSURE: 1129000 -32.7548 -303.107 -38.4897 -303.108 132.294 -130.265 -38.4891 -130.266 -12.6428 GPRESSURE: 1129000 -17.0171 -303.21 -85.4496 -320.404 181.326 -99.806 -35.2296 -165.47 18.0236 PRESSAVG: 1129000 16.5992 2.25275 -93.1856 2.25276 52.0606 69.3067 -93.1856 69.3067 -27.7301 GPRESSAVG: 1129000 17.0397 1.27642 -93.224 2.29662 52.9284 69.2032 -91.6843 72.5581 -29.4954 TIMING: 1129000 CPU: 3364.61, 0.00293939/step Wall: 3364.61, 0.00293939/step, 3.16066 hours remaining, 206.914062 MB of memory in use. ENERGY: 1129000 745.1068 2129.5683 1929.1042 115.2742 -206318.4747 17904.4441 0.0000 0.0000 34364.4455 -149130.5316 300.1132 -183494.9771 -149036.8155 299.9532 28.9654 60.7775 556782.7875 13.6432 13.4909 PRESSURE: 1129200 -328.006 20.8545 19.6665 20.855 -101.46 49.8926 19.667 49.8937 -67.7441 GPRESSURE: 1129200 -308.233 99.498 31.343 56.5469 -73.5577 61.9016 -36.7084 51.221 -16.5614 PRESSAVG: 1129200 -76.4863 -24.7864 -57.2957 -24.7865 24.3508 18.8183 -57.2957 18.8182 19.9823 GPRESSAVG: 1129200 -76.6614 -23.6247 -56.6413 -25.3106 22.8418 16.4618 -57.5629 18.7352 21.5544 TIMING: 1129200 CPU: 3365.21, 0.00296681/step Wall: 3365.21, 0.00296681/step, 3.18998 hours remaining, 206.914062 MB of memory in use. ENERGY: 1129200 756.5177 2060.5912 1945.8002 116.8046 -206195.9450 17537.6122 0.0000 0.0000 34536.7606 -149241.8586 301.6181 -183778.6191 -149141.8339 299.0878 -165.7366 -132.7842 557797.3343 -10.7177 -10.7551 PRESSURE: 1129400 -110.562 34.4761 -50.0962 34.4771 -4.84354 42.7599 -50.095 42.7597 195.173 GPRESSURE: 1129400 -43.2267 28.9573 -119.262 25.2715 -0.235487 -9.81863 15.6233 107.672 220.153 PRESSAVG: 1129400 -46.8616 -2.56386 -26.8997 -2.5638 2.26131 15.4113 -26.8997 15.4113 25.7907 GPRESSAVG: 1129400 -46.2123 -5.82366 -26.7218 -0.726279 1.91858 15.7362 -26.011 13.8429 25.2114 TIMING: 1129400 CPU: 3365.8, 0.00296389/step Wall: 3365.8, 0.00296389/step, 3.18668 hours remaining, 206.914062 MB of memory in use. ENERGY: 1129400 754.1517 2110.0803 1934.1642 112.4002 -206157.9084 17825.1879 0.0000 0.0000 34113.2366 -149308.6874 297.9194 -183421.9241 -149216.6166 299.1627 26.5893 58.8968 557150.2876 -6.2698 -6.3608 PRESSURE: 1129600 -114.692 146.247 23.5125 146.246 -58.1978 30.3328 23.5124 30.3338 -1.57889 GPRESSURE: 1129600 -22.5047 104.417 -20.9282 146.872 -74.8024 -17.8427 64.536 10.3708 29.8262 PRESSAVG: 1129600 -45.9348 10.6235 -42.0665 10.6236 -1.1347 -25.1719 -42.0666 -25.1718 61.2138 GPRESSAVG: 1129600 -44.7984 11.5994 -42.271 12.0152 -0.823292 -24.4991 -43.4713 -21.4608 60.236 TIMING: 1129600 CPU: 3366.39, 0.00295106/step Wall: 3366.39, 0.00295106/step, 3.17272 hours remaining, 206.914062 MB of memory in use. ENERGY: 1129600 722.4719 2043.7370 1960.9468 114.0085 -205971.5792 17675.1329 0.0000 0.0000 34159.8324 -149295.4496 298.3263 -183455.2820 -149202.2817 298.1224 -58.1561 -22.4936 558257.1481 4.7148 4.8714 PRESSURE: 1129800 -296.258 -160.672 175.4 -160.672 49.8024 87.9029 175.401 87.903 -50.5581 GPRESSURE: 1129800 -226.39 -8.48254 234.014 -197.269 45.3361 24.3249 94.742 67.3209 -14.5155 PRESSAVG: 1129800 -39.8664 14.5146 4.40668 14.5146 20.0965 19.1508 4.40672 19.1509 -8.18609 GPRESSAVG: 1129800 -42.1194 15.1931 5.12274 14.1326 21.2205 18.7896 5.63886 16.3533 -6.82383 TIMING: 1129800 CPU: 3366.98, 0.00294983/step Wall: 3366.98, 0.00294983/step, 3.17124 hours remaining, 206.914062 MB of memory in use. ENERGY: 1129800 731.8473 2062.9693 1950.3292 114.5560 -205867.2182 17431.7742 0.0000 0.0000 34305.1649 -149270.5773 299.5955 -183575.7421 -149181.6759 299.2390 -99.0047 -65.1899 557415.6837 -9.3187 -9.2409 PRESSURE: 1130000 -211.524 -167.24 -55.2802 -167.239 43.6104 31.4616 -55.2787 31.4626 0.353921 GPRESSURE: 1130000 -184.341 -192.576 -37.3864 -70.0754 88.7659 24.7925 -77.5514 -58.5058 19.8046 PRESSAVG: 1130000 -32.041 -36.5215 15.9035 -36.5215 84.8523 4.55239 15.9035 4.55254 -41.7315 GPRESSAVG: 1130000 -31.5625 -36.1678 15.2734 -37.204 84.9407 5.85782 13.9026 4.13068 -42.0623 TIMING: 1130000 CPU: 3367.58, 0.00296897/step Wall: 3367.58, 0.00296897/step, 3.19165 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1130000 729.4949 2104.9821 1922.1856 104.5796 -205395.9581 17468.0966 0.0000 0.0000 33872.2828 -149194.3366 295.8151 -183066.6193 -149109.9893 299.1119 -55.8532 -25.2569 556632.9885 3.6933 3.7720 PRESSURE: 1130200 -55.4413 -130.607 77.6451 -130.608 -190.306 -109.097 77.6448 -109.097 -88.9126 GPRESSURE: 1130200 -57.6943 -91.7371 80.2483 -111.996 -109.395 3.02539 110.307 -130.684 -63.4221 PRESSAVG: 1130200 -5.33734 -31.0363 0.436715 -31.0363 -7.34067 -50.0416 0.436726 -50.0416 11.4368 GPRESSAVG: 1130200 -6.32129 -29.3968 1.48756 -32.3857 -7.21743 -49.4569 1.62547 -49.4028 11.6035 TIMING: 1130200 CPU: 3368.17, 0.00298366/step Wall: 3368.17, 0.00298366/step, 3.20727 hours remaining, 206.914062 MB of memory in use. ENERGY: 1130200 764.6110 2091.2414 1961.5322 121.8923 -205686.5948 17580.3536 0.0000 0.0000 34113.2427 -149053.7216 297.9194 -183166.9643 -148959.8655 299.1544 -111.5532 -76.8371 558659.4858 -0.4137 -0.6451 PRESSURE: 1130400 258.374 -102.097 -36.135 -102.096 72.0311 15.1018 -36.1343 15.103 -148.992 GPRESSURE: 1130400 323.039 -125.295 -69.8384 -156.006 129.243 -26.0297 -10.7414 14.8967 -180.215 PRESSAVG: 1130400 5.74298 -31.6327 -26.166 -31.6326 -37.0709 -45.1738 -26.166 -45.1738 -18.0908 GPRESSAVG: 1130400 4.9607 -33.7391 -27.34 -31.2529 -37.2094 -45.4168 -26.0922 -44.6812 -17.9505 TIMING: 1130400 CPU: 3368.77, 0.00297157/step Wall: 3368.77, 0.00297157/step, 3.1941 hours remaining, 206.914062 MB of memory in use. ENERGY: 1130400 778.3251 2054.9741 1921.4687 103.9681 -206314.2594 18079.1188 0.0000 0.0000 34296.1936 -149080.2110 299.5172 -183376.4046 -148982.3477 299.7291 60.4709 90.6892 558089.4984 -16.4729 -16.7331 PRESSURE: 1130600 -103.778 -164.574 -73.6022 -164.573 320.178 81.7561 -73.602 81.756 -34.0827 GPRESSURE: 1130600 -79.3057 -192.208 -93.9438 -23.5319 382.977 20.6251 -104.204 116.898 -16.8375 PRESSAVG: 1130600 17.4426 2.35567 13.7169 2.35565 18.7805 43.342 13.7169 43.3419 -3.13299 GPRESSAVG: 1130600 19.8003 3.37245 14.0959 3.0792 18.8585 42.0458 13.1797 43.0936 -5.20899 TIMING: 1130600 CPU: 3369.37, 0.00300225/step Wall: 3369.37, 0.00300225/step, 3.22692 hours remaining, 206.914062 MB of memory in use. ENERGY: 1130600 719.1113 2081.0777 1924.3008 115.4401 -205905.3781 17876.5092 0.0000 0.0000 34194.1805 -148994.7585 298.6263 -183188.9390 -148899.1540 299.5852 60.7726 95.6111 557826.3988 11.0300 11.1499 PRESSURE: 1130800 211.13 -44.8465 -3.04915 -44.8458 -107.964 47.4092 -3.04827 47.4097 -172.457 GPRESSURE: 1130800 287.122 -20.3717 -14.6623 -0.248159 -76.7547 82.153 -76.8159 -23.3754 -176.953 PRESSAVG: 1130800 7.62476 0.169034 57.3351 0.168983 65.9782 -46.3543 57.335 -46.3542 -47.5566 GPRESSAVG: 1130800 6.56823 1.92518 58.1995 0.196044 65.5768 -43.789 58.1564 -47.3691 -46.0005 TIMING: 1130800 CPU: 3369.97, 0.0029999/step Wall: 3369.97, 0.0029999/step, 3.22423 hours remaining, 206.914062 MB of memory in use. ENERGY: 1130800 790.7091 2040.9660 1967.2006 109.1544 -206142.5590 17923.7747 0.0000 0.0000 34273.0292 -149037.7250 299.3149 -183310.7542 -148944.0778 299.6305 -23.0968 11.1379 558204.6474 8.6821 8.7149 PRESSURE: 1131000 13.2175 18.3337 -132.368 18.3325 -164.1 -63.6452 -132.367 -63.6435 -210.733 GPRESSURE: 1131000 15.6675 -51.0403 -42.0243 -34.2559 -105.602 -70.6956 -181.887 -43.3891 -176.282 PRESSAVG: 1131000 23.7982 -45.7311 -3.88973 -45.7312 -15.6594 19.3305 -3.88968 19.3305 -29.3198 GPRESSAVG: 1131000 25.1162 -47.9955 -4.22723 -44.8096 -17.2385 18.3369 -4.75175 20.6514 -29.2387 TIMING: 1131000 CPU: 3370.56, 0.00295477/step Wall: 3370.56, 0.00295477/step, 3.17556 hours remaining, 206.914062 MB of memory in use. ENERGY: 1131000 752.3463 2115.1805 1952.6018 108.2947 -206112.1012 17606.3454 0.0000 0.0000 34479.6912 -149097.6414 301.1197 -183577.3326 -149003.8617 300.0652 -120.5383 -88.7390 558034.6054 -7.0603 -7.1203 PRESSURE: 1131200 175.227 -158.039 -87.8039 -158.039 94.3962 -19.749 -87.8039 -19.7493 314.844 GPRESSURE: 1131200 236.015 -179.718 -169.543 -195.179 158.162 29.6053 -4.82133 -46.3096 289.474 PRESSAVG: 1131200 16.4904 4.82041 41.623 4.82049 11.2127 -13.008 41.623 -13.008 -37.9532 GPRESSAVG: 1131200 16.849 5.29307 38.7282 3.57756 11.8928 -12.291 44.4734 -13.9876 -38.9996 TIMING: 1131200 CPU: 3371.15, 0.00295822/step Wall: 3371.15, 0.00295822/step, 3.17911 hours remaining, 206.914062 MB of memory in use. ENERGY: 1131200 760.8412 2111.4974 1935.2686 107.5555 -206242.5898 18162.5429 0.0000 0.0000 34018.9205 -149145.9636 297.0957 -183164.8842 -149056.3359 300.2461 194.8224 227.8836 557020.7574 -3.4167 -3.4193 PRESSURE: 1131400 386.985 34.6719 -58.2711 34.6726 18.7388 105.493 -58.2706 105.493 29.4795 GPRESSURE: 1131400 451.95 99.4557 -113.208 11.8383 13.9991 106.28 -14.8084 70.7399 73.2384 PRESSAVG: 1131400 -2.38396 -35.8989 -6.13235 -35.8988 -49.5171 1.99619 -6.13239 1.99616 53.9427 GPRESSAVG: 1131400 -3.42145 -36.2586 -3.82313 -34.6324 -49.8895 1.83508 -8.33184 1.04771 55.1786 TIMING: 1131400 CPU: 3371.75, 0.00298866/step Wall: 3371.75, 0.00298866/step, 3.21165 hours remaining, 206.945312 MB of memory in use. ENERGY: 1131400 740.5683 2070.3438 1940.4828 118.8666 -206399.1335 18007.3859 0.0000 0.0000 34266.2465 -149255.2397 299.2557 -183521.4861 -149166.1849 299.1178 145.0678 179.7291 557144.7830 0.6806 0.6226 PRESSURE: 1131600 -62.2876 -34.5535 -51.6215 -34.5536 160.276 14.8701 -51.6222 14.8703 8.14646 GPRESSURE: 1131600 22.3571 -108.448 -17.9975 60.6903 135.195 -111.723 58.7857 122.487 49.5339 PRESSAVG: 1131600 -31.3155 50.2277 26.3973 50.2277 -59.3969 -6.58634 26.3972 -6.58632 58.0256 GPRESSAVG: 1131600 -30.6413 49.1923 27.4196 49.186 -59.9363 -7.62759 26.9719 -4.97447 58.1406 TIMING: 1131600 CPU: 3372.34, 0.00297304/step Wall: 3372.34, 0.00297304/step, 3.19469 hours remaining, 207.003906 MB of memory in use. ENERGY: 1131600 765.5468 2112.5790 1934.4125 120.9977 -206320.9023 18003.6946 0.0000 0.0000 34184.6636 -149199.0081 298.5432 -183383.6717 -149105.3266 299.5719 35.3783 69.0287 557268.0916 -10.8956 -10.8124 PRESSURE: 1131800 230.832 89.7099 -35.0485 89.7123 10.7483 -208.297 -35.0468 -208.295 -142.817 GPRESSURE: 1131800 259.458 67.6659 37.1992 45.2275 39.1657 -277.061 6.72345 -121.068 -106.869 PRESSAVG: 1131800 -56.6754 -34.2164 -17.3554 -34.2164 8.58515 -20.2864 -17.3553 -20.2863 70.6635 GPRESSAVG: 1131800 -57.5689 -32.2149 -16.9128 -34.6164 9.155 -20.8107 -18.8708 -18.207 70.5225 TIMING: 1131800 CPU: 3372.94, 0.00298032/step Wall: 3372.94, 0.00298032/step, 3.20235 hours remaining, 207.003906 MB of memory in use. ENERGY: 1131800 761.2442 2082.8970 1945.4499 105.3418 -206583.5253 18001.3640 0.0000 0.0000 34232.6722 -149454.5561 298.9624 -183687.2283 -149365.8363 299.9419 32.9211 63.9181 556524.4474 7.5244 7.3695 PRESSURE: 1132000 -85.5681 -22.8165 17.1385 -22.8169 182.698 145 17.138 145 50.6895 GPRESSURE: 1132000 -66.1559 -39.7076 -9.56665 51.1874 198.78 50.277 -47.6559 161.233 116.698 PRESSAVG: 1132000 -79.7595 18.1203 6.42667 18.1203 -27.2965 -6.06982 6.42654 -6.06986 63.6849 GPRESSAVG: 1132000 -78.1583 17.6216 4.9092 19.295 -27.9071 -5.98595 5.80743 -7.28032 63.3486 TIMING: 1132000 CPU: 3373.54, 0.00298748/step Wall: 3373.54, 0.00298748/step, 3.20988 hours remaining, 207.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1132000 729.0879 2045.7508 1939.5495 105.9465 -206434.3093 17903.9388 0.0000 0.0000 34239.9188 -149470.1170 299.0257 -183710.0359 -149371.9968 298.7249 49.2732 83.1072 557063.5988 -14.4570 -14.2389 PRESSURE: 1132200 -184.53 190.082 120.067 190.082 138.704 114.832 120.068 114.832 78.2399 GPRESSURE: 1132200 -145.808 235.512 107.909 164.639 166.331 33.5128 123.8 128.755 121.08 PRESSAVG: 1132200 -82.8076 -19.3291 65.3736 -19.3291 45.0122 1.98278 65.3736 1.9828 40.2904 GPRESSAVG: 1132200 -84.1477 -20.8602 62.5836 -18.9798 47.1997 1.83781 68.8713 2.60887 39.5145 TIMING: 1132200 CPU: 3374.13, 0.00298607/step Wall: 3374.13, 0.00298607/step, 3.2082 hours remaining, 207.003906 MB of memory in use. ENERGY: 1132200 771.8491 2080.3876 1932.5618 113.2025 -206262.2187 18014.7401 0.0000 0.0000 34009.2046 -149340.2728 297.0108 -183349.4774 -149253.1585 298.6483 10.8044 47.2009 557405.9769 0.8316 0.8555 LDB: ============= START OF LOAD BALANCING ============== 3377.68 LDB: ============== END OF LOAD BALANCING =============== 3377.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3377.68 LDB: ============= START OF LOAD BALANCING ============== 3377.97 LDB: Largest compute 4773 load 0.026858 is 22.7% of average load 0.118172 LDB: Average compute 0.001727 is 1.5% of average load 0.118172 LDB: TIME 3377.97 LOAD: AVG 0.118172 MAX 0.207279 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.188 MB LDB: TIME 3377.97 LOAD: AVG 0.118172 MAX 0.207279 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.391 MB LDB: TIME 3377.97 LOAD: AVG 0.118172 MAX 0.207279 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.391 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3377.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3377.98 PRESSURE: 1132400 -233.406 78.0529 -145.481 78.0513 -30.5952 19.8999 -145.481 19.8996 -249.463 GPRESSURE: 1132400 -216.982 24.0842 -158.821 67.6022 -13.2042 -5.7844 -138.736 5.67351 -196.787 PRESSAVG: 1132400 -77.9173 7.76777 33.722 7.76772 90.6686 -44.7083 33.7221 -44.7083 17.7336 GPRESSAVG: 1132400 -77.0605 8.92535 37.0977 8.22607 89.0552 -45.0469 32.0462 -46.0276 18.3454 TIMING: 1132400 CPU: 3374.73, 0.00299182/step Wall: 3374.73, 0.00299182/step, 3.21421 hours remaining, 207.859375 MB of memory in use. ENERGY: 1132400 707.1205 2064.8256 1924.2899 109.1037 -205959.7341 17453.5126 0.0000 0.0000 34317.9582 -149382.9236 299.7073 -183700.8818 -149288.9986 299.1235 -171.1548 -142.3243 555592.1950 10.1616 10.1134 PRESSURE: 1132600 100.324 13.2325 57.3358 13.232 -213.007 -117.239 57.3353 -117.24 -186.481 GPRESSURE: 1132600 97.0598 -5.15459 31.2891 78.3412 -116.243 -110.585 -54.2225 -31.7739 -174.47 PRESSAVG: 1132600 -18.312 -13.7042 -92.6648 -13.7043 27.6781 3.55813 -92.6647 3.55818 7.67258 GPRESSAVG: 1132600 -19.0479 -12.6166 -92.8081 -14.2669 28.1175 3.83068 -93.6427 4.44811 8.29743 TIMING: 1132600 CPU: 3375.33, 0.00298244/step Wall: 3375.33, 0.00298244/step, 3.20397 hours remaining, 208.062500 MB of memory in use. ENERGY: 1132600 768.2073 2069.7498 1928.9757 120.2906 -206058.7081 17594.0146 0.0000 0.0000 34336.1490 -149241.3208 299.8661 -183577.4699 -149144.5473 299.7195 -99.7213 -64.5510 555514.5803 5.6796 5.7890 PRESSURE: 1132800 -38.5775 1.83136 -2.52683 1.83226 -154.407 41.7056 -2.52693 41.7034 275.213 GPRESSURE: 1132800 -3.39673 -40.78 -74.6228 23.4965 -126.121 17.1048 64.0484 19.4635 300.712 PRESSAVG: 1132800 -18.2427 49.7745 -15.578 49.7745 -16.1401 10.2539 -15.5781 10.254 84.7104 GPRESSAVG: 1132800 -18.3604 49.1856 -17.9563 50.1745 -15.1195 11.1785 -14.0947 8.47453 83.2547 TIMING: 1132800 CPU: 3375.92, 0.00295863/step Wall: 3375.92, 0.00295863/step, 3.17822 hours remaining, 208.062500 MB of memory in use. ENERGY: 1132800 781.4940 2069.8453 1931.6045 103.5858 -206608.9235 17953.3493 0.0000 0.0000 34399.6223 -149369.4222 300.4205 -183769.0445 -149279.8929 299.3608 27.4095 57.0647 556275.0822 16.7758 16.5916 PRESSURE: 1133000 -70.5447 93.4679 212.581 93.4684 -230.552 -48.062 212.579 -48.0618 1.59783 GPRESSURE: 1133000 -27.8908 20.484 116.785 48.4106 -196.954 -36.8211 268.022 -116.287 27.7638 PRESSAVG: 1133000 15.7749 18.5109 29.1916 18.5109 -13.1639 -25.3366 29.1915 -25.3367 23.3164 GPRESSAVG: 1133000 16.4668 19.3641 30.429 15.6388 -14.3646 -25.1745 27.0936 -25.1394 23.7524 TIMING: 1133000 CPU: 3376.52, 0.00299649/step Wall: 3376.52, 0.00299649/step, 3.21873 hours remaining, 208.062500 MB of memory in use. ENERGY: 1133000 754.7085 2058.0428 1961.1100 110.8895 -206158.5607 17612.3470 0.0000 0.0000 34238.9199 -149422.5430 299.0170 -183661.4629 -149326.1907 299.2143 -99.8330 -65.6937 557436.7245 8.6425 8.6182 PRESSURE: 1133200 -85.3289 -85.9092 30.5207 -85.9098 111.352 -142.266 30.5202 -142.265 286.844 GPRESSURE: 1133200 -87.987 -137.404 43.3623 -8.48869 155.053 -93.5686 -17.3448 -129.082 337.281 PRESSAVG: 1133200 13.9818 29.3279 43.1442 29.3279 -34.2556 -66.3743 43.1442 -66.3743 36.7045 GPRESSAVG: 1133200 13.4324 28.2096 43.6833 32.0771 -34.2114 -68.8123 44.422 -65.7141 37.2081 TIMING: 1133200 CPU: 3377.11, 0.00298277/step Wall: 3377.11, 0.00298277/step, 3.20383 hours remaining, 208.062500 MB of memory in use. ENERGY: 1133200 723.6076 2079.0332 1933.6642 108.1220 -206257.5852 17875.9809 0.0000 0.0000 33951.3035 -149585.8738 296.5052 -183537.1773 -149496.7477 298.8277 104.2892 134.7821 556347.0357 5.4769 5.4764 PRESSURE: 1133400 75.492 -22.149 -31.762 -22.1492 171.071 -58.0578 -31.7616 -58.0577 19.0889 GPRESSURE: 1133400 149.439 -14.1262 40.3998 -44.6687 198.28 -53.5387 -76.084 -43.4948 20.1464 PRESSAVG: 1133400 -20.6348 9.40114 26.1001 9.4012 51.9607 54.3929 26.1002 54.393 -49.022 GPRESSAVG: 1133400 -20.342 7.81494 25.2718 8.60282 51.2988 56.8025 28.2143 54.1496 -48.9482 TIMING: 1133400 CPU: 3377.71, 0.00297534/step Wall: 3377.71, 0.00297534/step, 3.19568 hours remaining, 208.062500 MB of memory in use. ENERGY: 1133400 704.7709 2118.4089 1971.8093 112.6494 -206468.9235 17953.7526 0.0000 0.0000 34134.5733 -149472.9592 298.1057 -183607.5324 -149378.4901 298.3507 88.5505 122.6217 556134.7068 -5.8987 -5.9971 PRESSURE: 1133600 121.273 156.036 -78.3563 156.035 200.826 -99.137 -78.3572 -99.1395 14.897 GPRESSURE: 1133600 117.266 136.165 -50.3808 126.152 200.226 -145.148 -97.2051 -55.5673 120.532 PRESSAVG: 1133600 36.6407 -14.8465 -23.205 -14.8464 -22.703 -55.943 -23.2051 -55.9431 19.4074 GPRESSAVG: 1133600 37.4851 -12.5883 -21.3136 -13.81 -21.6631 -57.3258 -26.2158 -55.5459 18.0624 TIMING: 1133600 CPU: 3378.31, 0.00299641/step Wall: 3378.31, 0.00299642/step, 3.21815 hours remaining, 208.062500 MB of memory in use. ENERGY: 1133600 716.9237 2071.8001 1922.3686 99.6922 -206464.4673 17824.3011 0.0000 0.0000 34182.1668 -149647.2148 298.5214 -183829.3816 -149549.8941 297.6981 112.3321 146.0080 555564.4823 11.1150 11.2948 PRESSURE: 1133800 -282.846 17.5332 -65.2327 17.5326 -80.8918 -78.6883 -65.2321 -78.6905 -195.815 GPRESSURE: 1133800 -233.89 64.5802 -22.9726 78.9866 17.6992 -57.6669 -49.3609 -128.605 -247.692 PRESSAVG: 1133800 -7.24271 56.0363 11.3572 56.0363 -4.35352 -1.73628 11.3572 -1.73626 1.5662 GPRESSAVG: 1133800 -7.32216 55.7192 11.7102 56.2662 -5.09013 -1.95813 11.2579 -2.22452 2.0814 TIMING: 1133800 CPU: 3378.9, 0.00296149/step Wall: 3378.9, 0.00296149/step, 3.18048 hours remaining, 208.062500 MB of memory in use. ENERGY: 1133800 748.9148 2046.4028 1915.5100 122.1249 -206017.3717 17530.9482 0.0000 0.0000 34016.2951 -149637.1759 297.0728 -183653.4709 -149544.5234 298.2162 -186.5176 -154.6275 557718.4129 -3.3433 -3.4436 PRESSURE: 1134000 171.613 60.3918 -138.439 60.3921 -0.082199 73.8943 -138.439 73.894 -7.84707 GPRESSURE: 1134000 179.02 25.5961 -130.435 80.9383 63.5159 73.6299 -121.282 40.0359 13.0453 PRESSAVG: 1134000 -8.35445 -3.1685 -73.4989 -3.16847 41.5923 66.9287 -73.4989 66.9287 -28.2061 GPRESSAVG: 1134000 -8.60754 -4.12902 -73.8866 -4.28378 42.1519 69.1526 -72.5368 66.8154 -28.5644 TIMING: 1134000 CPU: 3379.49, 0.00296622/step Wall: 3379.49, 0.00296622/step, 3.18539 hours remaining, 208.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1134000 728.4830 2046.7590 1949.0074 121.4752 -206176.9439 17694.0002 0.0000 0.0000 34163.9432 -149473.2761 298.3622 -183637.2193 -149378.1390 298.7261 54.5611 85.1937 555982.4539 1.6772 1.6600 PRESSURE: 1134200 279.301 -31.0486 -80.3832 -31.0503 417.515 139.442 -80.3834 139.441 237.637 GPRESSURE: 1134200 217.689 -87.4798 -65.0948 -84.5344 498.804 165.66 -191.672 161.423 314.94 PRESSAVG: 1134200 23.4332 21.7661 -37.4877 21.7661 34.8603 79.2334 -37.4878 79.2334 -71.8738 GPRESSAVG: 1134200 23.4458 21.9716 -38.281 22.7438 35.8292 78.3867 -35.36 78.9067 -72.0492 TIMING: 1134200 CPU: 3380.09, 0.00297933/step Wall: 3380.09, 0.00297933/step, 3.1993 hours remaining, 208.062500 MB of memory in use. ENERGY: 1134200 783.0743 2085.1222 1921.3947 119.2294 -206804.7293 18362.5593 0.0000 0.0000 34080.3325 -149453.0170 297.6320 -183533.3495 -149356.2131 298.4080 311.4843 343.8108 555685.8543 -4.5268 -4.2581 PRESSURE: 1134400 206.005 14.9403 47.3887 14.9399 121.498 -16.0509 47.3886 -16.0502 -272.521 GPRESSURE: 1134400 228.926 -13.7451 32.4523 4.26009 175.315 -89.4762 49.2079 10.9206 -254.227 PRESSAVG: 1134400 23.6139 52.1724 -4.57599 52.1723 20.9267 10.567 -4.57607 10.567 -23.1241 GPRESSAVG: 1134400 23.1056 53.4342 -3.67728 51.6159 20.3311 11.0133 -4.70432 9.57542 -22.0482 TIMING: 1134400 CPU: 3380.69, 0.00297522/step Wall: 3380.69, 0.00297522/step, 3.19472 hours remaining, 208.062500 MB of memory in use. ENERGY: 1134400 740.1957 2086.6702 1909.6947 102.6548 -205983.2508 17788.2998 0.0000 0.0000 33996.4497 -149359.2859 296.8995 -183355.7356 -149259.7603 298.6077 18.3274 50.0048 556472.7868 7.1388 7.1295 PRESSURE: 1134600 163.964 28.854 -98.313 28.8536 223.315 2.3265 -98.314 2.32823 53.1583 GPRESSURE: 1134600 208.923 85.6424 -2.11695 7.02038 220.358 15.0901 -180.373 -57.6492 112.183 PRESSAVG: 1134600 74.8362 35.1313 55.1027 35.1312 42.6342 1.10679 55.1027 1.10687 -73.6211 GPRESSAVG: 1134600 75.0281 35.1207 54.5603 33.4342 43.6078 1.51407 55.513 -1.44188 -74.7845 TIMING: 1134600 CPU: 3381.28, 0.00297437/step Wall: 3381.28, 0.00297437/step, 3.19364 hours remaining, 208.062500 MB of memory in use. ENERGY: 1134600 725.7112 2086.0978 1929.8897 126.9018 -206164.8328 17881.8719 0.0000 0.0000 34224.8851 -149189.4754 298.8944 -183414.3604 -149093.9040 298.9553 146.8124 180.4881 555287.5728 14.6164 14.6171 PRESSURE: 1134800 8.19962 -103.538 134.7 -103.538 -119.808 -47.9319 134.7 -47.9318 -244.386 GPRESSURE: 1134800 -12.2817 -98.4345 126.425 -74.368 -24.8323 -47.9697 60.6702 -63.6117 -218.1 PRESSAVG: 1134800 4.05756 -15.5106 -6.93256 -15.5106 41.7987 12.2869 -6.93254 12.2869 -31.5983 GPRESSAVG: 1134800 3.51185 -12.812 -6.83111 -13.7609 41.8089 10.7562 -8.56796 16.3218 -31.017 TIMING: 1134800 CPU: 3381.87, 0.00296862/step Wall: 3381.87, 0.00296862/step, 3.18731 hours remaining, 208.062500 MB of memory in use. ENERGY: 1134800 765.7871 2009.6082 1931.7011 113.9185 -205867.5270 17597.4703 0.0000 0.0000 34210.0554 -149238.9863 298.7649 -183449.0417 -149139.3631 299.7190 -118.6647 -85.0712 556655.9951 4.7527 4.7679 PRESSURE: 1135000 -9.35997 17.8611 130.732 17.8613 13.451 102.081 130.731 102.08 -48.6497 GPRESSURE: 1135000 7.58297 -39.9998 120.218 98.7807 121.561 4.66336 146.134 160.608 -76.1945 PRESSAVG: 1135000 44.0747 -27.6537 21.4419 -27.6537 -56.2262 -15.6314 21.4418 -15.6314 -1.79904 GPRESSAVG: 1135000 43.2386 -30.0984 20.7327 -26.5821 -55.9163 -15.8744 22.7175 -15.2655 -1.2153 TIMING: 1135000 CPU: 3382.47, 0.00299705/step Wall: 3382.47, 0.00299705/step, 3.21767 hours remaining, 208.062500 MB of memory in use. ENERGY: 1135000 728.6237 2078.9498 1893.5987 120.5350 -206375.8011 18033.7261 0.0000 0.0000 34135.3214 -149385.0463 298.1123 -183520.3677 -149279.9071 298.9557 -14.8529 17.6498 557480.9309 -4.6502 -4.6310 PRESSURE: 1135200 -187.475 -82.7426 -35.9562 -82.7417 120.357 28.5172 -35.9565 28.5184 9.36581 GPRESSURE: 1135200 -134.834 -27.909 -65.0865 -168.376 105.68 20.8799 -10.8961 2.59228 61.831 PRESSAVG: 1135200 -17.6667 -43.215 -10.0622 -43.2151 -4.34068 -34.8183 -10.0622 -34.8182 19.9635 GPRESSAVG: 1135200 -17.1705 -43.8591 -7.78733 -45.335 -5.5337 -32.7597 -11.8765 -38.4477 20.3253 TIMING: 1135200 CPU: 3383.07, 0.00299135/step Wall: 3383.07, 0.00299135/step, 3.21138 hours remaining, 208.062500 MB of memory in use. ENERGY: 1135200 709.7748 2097.1929 1908.2164 121.0744 -205938.2656 17630.0985 0.0000 0.0000 34314.5211 -149157.3875 299.6772 -183471.9086 -149062.7127 299.0053 -19.2510 10.8921 557736.0327 -0.6813 -0.7929 PRESSURE: 1135400 -34.2436 -93.7796 15.5868 -93.78 -151.206 -58.1723 15.5863 -58.1733 106.047 GPRESSURE: 1135400 -27.9916 -81.2055 88.3908 -108.048 -120.993 -130.079 -19.7477 35.027 156.29 PRESSAVG: 1135400 -1.94833 -47.9794 60.8696 -47.9795 12.8984 -21.7634 60.8696 -21.7634 19.5241 GPRESSAVG: 1135400 -2.05947 -47.1061 61.9159 -44.4678 12.9726 -24.8675 60.1207 -18.0538 19.5082 TIMING: 1135400 CPU: 3383.66, 0.00296632/step Wall: 3383.66, 0.00296632/step, 3.18435 hours remaining, 208.062500 MB of memory in use. ENERGY: 1135400 728.5382 2107.1189 1911.5053 101.6708 -206051.4145 17724.8591 0.0000 0.0000 34305.6841 -149172.0381 299.6001 -183477.7223 -149073.4836 299.8384 -26.4677 2.4350 556223.6509 10.1580 10.1404 PRESSURE: 1135600 132.104 -127.767 109.254 -127.767 -104.849 -182.004 109.254 -182.004 -11.1949 GPRESSURE: 1135600 157.392 -168.894 98.5769 -181.684 -99.677 -191.722 191.615 -144.448 44.9358 PRESSAVG: 1135600 -47.34 -29.7947 49.4628 -29.7946 -54.4574 18.4299 49.4629 18.4299 70.6526 GPRESSAVG: 1135600 -47.7174 -30.7459 45.9877 -29.8545 -54.9366 20.5595 49.9771 17.5517 71.1968 TIMING: 1135600 CPU: 3384.26, 0.00298857/step Wall: 3384.26, 0.00298857/step, 3.20806 hours remaining, 208.062500 MB of memory in use. ENERGY: 1135600 749.3118 2116.9157 1910.0893 103.3168 -206098.9198 17771.0330 0.0000 0.0000 34385.5080 -149062.7451 300.2972 -183448.2531 -148963.2685 300.3226 5.3535 34.2168 557800.2563 -10.3816 -10.4857 PRESSURE: 1135800 25.5179 21.2427 -20.001 21.2426 -207.623 57.0818 -20.0006 57.0814 -342.774 GPRESSURE: 1135800 51.4327 38.0392 57.9641 -23.852 -191.336 118.471 -11.9153 9.39012 -289.858 PRESSAVG: 1135800 -1.16582 25.9408 31.9663 25.9408 65.0643 -29.1299 31.9663 -29.13 -105.81 GPRESSAVG: 1135800 -1.51229 25.1644 32.8752 21.4091 65.766 -28.7762 33.6084 -28.7715 -106.579 TIMING: 1135800 CPU: 3384.85, 0.00294433/step Wall: 3384.85, 0.00294433/step, 3.16041 hours remaining, 208.062500 MB of memory in use. ENERGY: 1135800 750.7024 2067.6428 1914.1385 121.3218 -205675.4647 17571.5903 0.0000 0.0000 34345.3140 -148904.7549 299.9462 -183250.0688 -148809.9083 300.1494 -174.9597 -143.2537 558090.9144 -13.9706 -14.1083 PRESSURE: 1136000 147.661 -246.717 -2.67648 -246.718 -73.6819 28.6501 -2.67639 28.6509 170.089 GPRESSURE: 1136000 205.789 -205.739 -58.2871 -226.904 -31.3323 49.6341 -15.2219 19.0748 166.479 PRESSAVG: 1136000 62.9572 -28.7994 23.1268 -28.7995 12.6227 14.9355 23.127 14.9354 -67.5024 GPRESSAVG: 1136000 62.9605 -27.597 26.2636 -26.8555 13.0143 15.4533 20.365 12.7807 -68.2958 TIMING: 1136000 CPU: 3385.44, 0.00295597/step Wall: 3385.44, 0.00295597/step, 3.17274 hours remaining, 208.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1136000 734.5457 2074.0642 1917.1008 101.8010 -205691.6060 17816.3607 0.0000 0.0000 34253.1234 -148794.6103 299.1410 -183047.7337 -148698.5147 300.4181 81.3561 113.6450 557813.8247 2.6925 2.5597 PRESSURE: 1136200 55.9484 50.4645 -118.988 50.4659 -49.639 147.611 -118.988 147.61 -16.7831 GPRESSURE: 1136200 90.4579 62.0292 -87.6817 84.8733 -2.66068 114.43 -111.859 140.987 0.219886 PRESSAVG: 1136200 9.33493 -33.4711 -26.2556 -33.4711 -34.9264 22.9367 -26.2554 22.9367 34.0822 GPRESSAVG: 1136200 9.59072 -33.9898 -28.7685 -32.9184 -34.7534 19.9443 -25.0828 24.6012 33.9621 TIMING: 1136200 CPU: 3386.04, 0.00296451/step Wall: 3386.04, 0.00296451/step, 3.18174 hours remaining, 208.062500 MB of memory in use. ENERGY: 1136200 740.2927 2088.9141 1933.5677 95.3740 -205836.9587 17829.1455 0.0000 0.0000 34409.9562 -148739.7086 300.5107 -183149.6648 -148648.3304 300.5026 -3.4912 29.3390 558078.1463 2.8303 2.9331 LDB: ============= START OF LOAD BALANCING ============== 3389.59 LDB: ============== END OF LOAD BALANCING =============== 3389.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3389.59 LDB: ============= START OF LOAD BALANCING ============== 3389.88 LDB: Largest compute 4773 load 0.027305 is 23.1% of average load 0.118098 LDB: Average compute 0.001737 is 1.5% of average load 0.118098 LDB: TIME 3389.88 LOAD: AVG 0.118098 MAX 0.21067 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.426 MB LDB: TIME 3389.88 LOAD: AVG 0.118098 MAX 0.21067 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.426 MB LDB: TIME 3389.88 LOAD: AVG 0.118098 MAX 0.21067 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.426 MB LDB: ============== END OF LOAD BALANCING =============== 3389.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3389.89 PRESSURE: 1136400 -107.441 36.094 64.5141 36.0949 50.0094 23.4904 64.5158 23.4899 -309.338 GPRESSURE: 1136400 -115.899 17.4431 136.106 114.284 130.589 16.8078 22.7786 -36.7084 -279.137 PRESSAVG: 1136400 54.431 56.5825 -49.1239 56.5824 28.3427 -16.6004 -49.1239 -16.6004 -51.1103 GPRESSAVG: 1136400 53.9912 57.3054 -48.3171 55.737 27.0981 -15.132 -49.9907 -17.6888 -49.5431 TIMING: 1136400 CPU: 3386.64, 0.00302601/step Wall: 3386.64, 0.00302601/step, 3.24758 hours remaining, 207.480469 MB of memory in use. ENERGY: 1136400 734.5029 2044.6544 1899.3612 110.6833 -205581.6847 17620.3312 0.0000 0.0000 34510.3318 -148661.8200 301.3873 -183172.1518 -148570.5888 300.5393 -122.2566 -88.1490 558546.3224 10.5545 10.5154 PRESSURE: 1136600 -55.3515 17.1053 -63.2811 17.1045 -210.058 -60.5475 -63.2811 -60.5481 51.9189 GPRESSURE: 1136600 0.368931 20.5469 -148.707 76.8671 -239.874 -114.132 10.1269 -32.4601 117.219 PRESSAVG: 1136600 14.1617 -50.023 9.69214 -50.023 -5.36848 29.4454 9.69204 29.4454 -12.1628 GPRESSAVG: 1136600 14.7953 -50.7922 8.96914 -49.7322 -4.3034 28.5887 9.04315 30.7865 -13.3455 TIMING: 1136600 CPU: 3387.25, 0.0030212/step Wall: 3387.25, 0.0030212/step, 3.24225 hours remaining, 207.480469 MB of memory in use. ENERGY: 1136600 746.7547 2098.0018 1918.3887 109.9962 -205614.8722 17769.6171 0.0000 0.0000 34344.8712 -148627.2427 299.9423 -182972.1138 -148532.4818 300.4092 -71.1635 -40.7621 560272.8721 -1.1232 -0.9512 PRESSURE: 1136800 88.098 -58.3128 29.2187 -58.3131 -190.09 -128.955 29.219 -128.955 -292.684 GPRESSURE: 1136800 47.4094 -66.7004 102.757 -55.6543 -123.073 -180.906 -30.1138 -55.8636 -220.464 PRESSAVG: 1136800 56.7075 -26.6395 -24.3216 -26.6394 -37.2096 30.7782 -24.3216 30.7783 53.8583 GPRESSAVG: 1136800 55.4564 -26.3325 -24.7965 -24.8896 -35.8865 32.4343 -21.9877 30.7047 53.3242 TIMING: 1136800 CPU: 3387.85, 0.00300983/step Wall: 3387.85, 0.00300983/step, 3.22989 hours remaining, 207.480469 MB of memory in use. ENERGY: 1136800 763.4690 2040.2302 1942.7179 123.7739 -205981.2898 17653.2673 0.0000 0.0000 34576.7332 -148881.0982 301.9672 -183457.8314 -148782.7074 300.6315 -131.5589 -98.7092 557535.1759 24.4521 24.2980 PRESSURE: 1137000 -12.1221 88.267 63.3593 88.2674 -190.628 -134.194 63.3598 -134.193 -365.051 GPRESSURE: 1137000 -14.3113 134.794 5.77036 -3.62408 -145.248 -111.411 76.1971 -110.753 -310.695 PRESSAVG: 1137000 32.4563 -3.15424 60.8023 -3.15415 -8.71767 -24.667 60.8023 -24.6669 -28.5714 GPRESSAVG: 1137000 32.6138 -2.21203 58.9456 -5.18647 -10.2347 -26.1848 61.3761 -25.0268 -26.9966 TIMING: 1137000 CPU: 3388.45, 0.002994/step Wall: 3388.45, 0.002994/step, 3.21273 hours remaining, 207.480469 MB of memory in use. ENERGY: 1137000 796.4126 2071.2018 1943.1828 117.2890 -205765.0682 17666.7773 0.0000 0.0000 34135.0304 -149035.1743 298.1097 -183170.2047 -148931.1501 300.7203 -189.2670 -156.7514 558397.7767 -1.6109 -1.5392 PRESSURE: 1137200 156.594 -204.206 -4.9737 -204.207 -232.149 7.32073 -4.97463 7.32172 -139.05 GPRESSURE: 1137200 244.332 -181.082 -112.669 -183.924 -206.026 -32.8265 7.69694 23.5224 -149.487 PRESSAVG: 1137200 38.1405 -53.0551 -12.8459 -53.0551 -6.98079 -43.6881 -12.8459 -43.6882 -30.4955 GPRESSAVG: 1137200 38.5092 -52.0844 -12.6282 -52.2472 -6.21022 -43.0154 -12.2537 -44.0762 -31.3831 TIMING: 1137200 CPU: 3389.04, 0.00297143/step Wall: 3389.04, 0.00297143/step, 3.18835 hours remaining, 207.480469 MB of memory in use. ENERGY: 1137200 739.3733 2086.7625 1951.2319 128.5888 -206106.3498 17727.8110 0.0000 0.0000 34389.1771 -149083.4052 300.3292 -183472.5823 -148986.2264 299.5399 -71.5351 -37.0605 557160.2259 0.2214 0.3053 PRESSURE: 1137400 221.473 -29.6485 -30.1249 -29.6479 -180.467 -66.375 -30.125 -66.3747 -18.9729 GPRESSURE: 1137400 193.856 -56.5992 -98.9437 -40.0974 -144.379 -85.9762 -28.5008 13.1044 60.3272 PRESSAVG: 1137400 -10.0844 23.305 32.0383 23.3051 12.7059 14.6115 32.0383 14.6117 8.70789 GPRESSAVG: 1137400 -9.72929 22.4274 33.7967 22.7955 12.2079 13.7743 29.8897 14.9515 8.8027 TIMING: 1137400 CPU: 3389.63, 0.00297246/step Wall: 3389.63, 0.00297246/step, 3.18929 hours remaining, 207.480469 MB of memory in use. ENERGY: 1137400 731.2089 2147.7858 1914.7540 107.4932 -206098.6338 17792.8238 0.0000 0.0000 34235.0378 -149169.5301 298.9831 -183404.5679 -149072.0373 299.1226 7.3444 36.6012 557949.1513 3.7765 3.7604 PRESSURE: 1137600 -197.718 79.2315 85.7923 79.2309 24.1369 -189.68 85.7921 -189.68 165.829 GPRESSURE: 1137600 -183.125 175.595 135.587 32.7639 32.7202 -97.3145 -15.2883 -246.234 237.121 PRESSAVG: 1137600 -4.04216 23.6947 -3.09442 23.6947 31.0275 -64.401 -3.09445 -64.401 -9.00799 GPRESSAVG: 1137600 -3.97254 23.066 -2.50498 23.6978 30.6742 -64.2806 -1.37763 -66.0649 -8.64899 TIMING: 1137600 CPU: 3390.24, 0.00302146/step Wall: 3390.24, 0.00302146/step, 3.24169 hours remaining, 207.480469 MB of memory in use. ENERGY: 1137600 775.0795 2128.9255 1925.2292 109.3777 -206086.4875 17890.4874 0.0000 0.0000 33973.1674 -149284.2209 296.6961 -183257.3882 -149194.2052 298.8934 -2.5840 28.9055 557218.3236 5.9925 6.0176 PRESSURE: 1137800 -106.048 -51.2337 -15.2409 -51.2343 -235.07 76.7974 -15.2412 76.7988 -158.11 GPRESSURE: 1137800 -23.38 -48.5941 27.7821 -10.7567 -212.223 54.8164 -70.9585 154.599 -163.692 PRESSAVG: 1137800 -39.9044 -43.0176 -69.6451 -43.0176 2.71898 -12.2306 -69.6452 -12.2306 16.2002 GPRESSAVG: 1137800 -40.1166 -41.7602 -71.4415 -43.4827 3.33637 -9.99896 -71.9147 -11.4372 15.6701 TIMING: 1137800 CPU: 3390.85, 0.00303263/step Wall: 3390.85, 0.00303263/step, 3.2535 hours remaining, 207.480469 MB of memory in use. ENERGY: 1137800 776.7346 2052.1772 1917.2751 122.4624 -206054.0119 17632.3386 0.0000 0.0000 34330.4104 -149222.6136 299.8160 -183553.0241 -149127.8280 299.4519 -166.4095 -133.0984 558743.4706 -6.9951 -7.0367 PRESSURE: 1138000 -18.9131 -193.746 -33.2767 -193.746 -89.2323 70.3461 -33.2751 70.3459 2.42934 GPRESSURE: 1138000 27.6751 -173.344 -79.7266 -186.415 -48.3908 86.4093 -61.8188 15.1625 20.6102 PRESSAVG: 1138000 -8.31449 -1.14712 27.2211 -1.14723 9.83113 16.3292 27.2211 16.3292 45.5797 GPRESSAVG: 1138000 -7.65176 -1.06663 29.0528 -1.88964 9.7085 17.5808 30.1229 12.9497 45.2417 TIMING: 1138000 CPU: 3391.44, 0.00299207/step Wall: 3391.44, 0.00299207/step, 3.20983 hours remaining, 207.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1138000 763.9711 2116.6554 1936.9437 110.2863 -205800.6407 17753.8674 0.0000 0.0000 34088.3752 -149030.5417 297.7023 -183118.9169 -148941.4597 299.6507 -35.2387 -0.0352 558927.9825 15.6988 15.7662 PRESSURE: 1138200 90.1503 -208.021 -29.3021 -208.022 -180.963 -83.7946 -29.3016 -83.7946 -239.421 GPRESSURE: 1138200 149.824 -144.675 -52.8718 -217.729 -168.858 1.36004 -47.7264 -139.818 -214.922 PRESSAVG: 1138200 -2.25427 25.3371 -37.1362 25.337 33.9746 5.24136 -37.1362 5.24134 7.19287 GPRESSAVG: 1138200 -2.93641 24.966 -39.3682 27.6163 34.3053 3.84707 -36.3686 7.04973 7.56365 TIMING: 1138200 CPU: 3392.04, 0.00299932/step Wall: 3392.04, 0.00299932/step, 3.21743 hours remaining, 207.480469 MB of memory in use. ENERGY: 1138200 764.4669 2126.3122 1898.5284 116.3366 -205950.1775 17703.6053 0.0000 0.0000 34130.9067 -149210.0213 298.0737 -183340.9280 -149116.5068 299.6879 -110.0776 -77.9856 560290.2106 12.9711 12.9775 PRESSURE: 1138400 172.424 -116.745 -43.9369 -116.746 331.671 -69.2345 -43.9343 -69.2342 -4.86335 GPRESSURE: 1138400 207.051 -91.1117 -94.5307 -134.411 377.751 -41.7361 -72.0523 -104.633 20.0869 PRESSAVG: 1138400 36.3874 -10.824 -47.9927 -10.824 -30.9181 7.00063 -47.9926 7.0007 -10.8725 GPRESSAVG: 1138400 36.8075 -14.447 -44.7571 -9.189 -30.5619 5.20244 -50.2786 7.35275 -11.3732 TIMING: 1138400 CPU: 3392.65, 0.00303191/step Wall: 3392.65, 0.00303191/step, 3.25223 hours remaining, 207.480469 MB of memory in use. ENERGY: 1138400 725.4579 2086.6775 1932.0497 120.9626 -206495.5552 17957.0954 0.0000 0.0000 34421.8458 -149251.4662 300.6145 -183673.3120 -149152.9421 299.2527 166.4107 201.6293 556661.3008 -1.8011 -1.7092 PRESSURE: 1138600 100.276 -94.5799 -35.2759 -94.5795 11.0084 -68.8406 -35.276 -68.8419 -57.3384 GPRESSURE: 1138600 40.1652 -116.08 -24.8861 -132.466 98.9718 12.4842 10.4786 -110.286 8.08932 PRESSAVG: 1138600 54.7217 -6.69186 -19.1524 -6.69189 26.1897 23.3399 -19.1524 23.3398 -37.7817 GPRESSAVG: 1138600 54.6059 -1.80372 -22.1522 -9.38312 25.3082 23.5354 -17.7158 24.1881 -36.5561 TIMING: 1138600 CPU: 3393.25, 0.00297529/step Wall: 3393.25, 0.00297529/step, 3.19133 hours remaining, 207.480469 MB of memory in use. ENERGY: 1138600 740.3719 2053.7995 1933.0473 117.3706 -206480.8602 17831.6941 0.0000 0.0000 34528.9822 -149275.5946 301.5502 -183804.5768 -149177.1797 299.1115 17.9818 49.0754 556846.2070 14.3766 14.4527 PRESSURE: 1138800 48.8386 33.9239 42.4895 33.924 -415.28 128.15 42.4911 128.152 -76.3707 GPRESSURE: 1138800 124.949 51.9449 31.887 41.5942 -387.293 137.208 4.49775 49.1502 -87.4227 PRESSAVG: 1138800 6.94349 -16.8337 20.1691 -16.8336 -64.9225 17.5717 20.1691 17.5717 38.7432 GPRESSAVG: 1138800 7.15232 -17.9778 19.8161 -15.2011 -65.3795 15.5162 18.1629 18.7618 38.1309 TIMING: 1138800 CPU: 3393.84, 0.00299626/step Wall: 3393.84, 0.00299626/step, 3.21365 hours remaining, 207.480469 MB of memory in use. ENERGY: 1138800 718.6271 2071.9931 1923.8867 99.2156 -206038.0895 17593.2232 0.0000 0.0000 34498.2518 -149132.8921 301.2818 -183631.1439 -149036.6790 299.4237 -147.6040 -116.5889 558640.3624 -6.4120 -6.6988 PRESSURE: 1139000 -419.212 -17.7229 92.2611 -17.7233 -145.098 -35.0053 92.2622 -35.0069 211.222 GPRESSURE: 1139000 -335.514 -19.7302 -6.10631 22.9452 -143.86 37.8861 182.667 -54.5946 220.856 PRESSAVG: 1139000 29.6742 12.6493 -29.7478 12.6492 -42.7043 19.3333 -29.7477 19.3332 13.5642 GPRESSAVG: 1139000 29.4109 13.0611 -27.416 10.9562 -42.7957 19.5628 -28.3647 20.2184 13.8359 TIMING: 1139000 CPU: 3394.45, 0.00300788/step Wall: 3394.45, 0.00300788/step, 3.22595 hours remaining, 207.480469 MB of memory in use. ENERGY: 1139000 765.4264 2062.9597 1900.9904 111.2978 -206084.3459 17752.0822 0.0000 0.0000 34332.6575 -149158.9318 299.8356 -183491.5893 -149069.4508 299.4195 -117.6960 -86.1726 559602.7679 0.1781 0.1504 PRESSURE: 1139200 154.204 -22.4564 -2.87744 -22.4575 -216.95 180.952 -2.877 180.953 89.8712 GPRESSURE: 1139200 175.602 -26.7535 8.04544 41.595 -167.523 211.374 -66.872 100.333 118.832 PRESSAVG: 1139200 -79.7753 50.1433 -20.3899 50.1433 64.5412 1.81577 -20.3899 1.8158 36.9914 GPRESSAVG: 1139200 -80.3364 50.3967 -22.238 51.949 64.8805 2.67772 -21.3304 -0.658572 36.6372 TIMING: 1139200 CPU: 3395.05, 0.00299501/step Wall: 3395.05, 0.00299501/step, 3.21198 hours remaining, 207.480469 MB of memory in use. ENERGY: 1139200 746.5705 2099.4869 1945.3581 115.5437 -206224.1005 17877.7722 0.0000 0.0000 34069.1050 -149370.2641 297.5340 -183439.3691 -149272.6986 298.7569 9.0417 42.3037 557425.0382 7.2524 7.0604 PRESSURE: 1139400 -150.105 -75.5807 -45.7978 -75.5815 6.03301 40.7701 -45.7969 40.7704 -113.187 GPRESSURE: 1139400 -97.4857 -78.1433 -76.0574 -74.542 4.40263 -28.4872 -37.9067 18.0298 -73.301 PRESSAVG: 1139400 -22.5282 -5.8043 -45.2498 -5.80424 -7.44277 45.1181 -45.2498 45.1182 20.0013 GPRESSAVG: 1139400 -21.9936 -6.29977 -42.0228 -6.71119 -7.90978 43.9595 -46.842 46.5973 19.4218 TIMING: 1139400 CPU: 3395.64, 0.00298805/step Wall: 3395.64, 0.00298806/step, 3.20436 hours remaining, 207.480469 MB of memory in use. ENERGY: 1139400 737.0905 2075.1341 1909.4590 117.2987 -205849.5942 17515.7526 0.0000 0.0000 34256.6694 -149238.1897 299.1720 -183494.8591 -149137.2961 299.0064 -85.7528 -55.4614 555808.1906 -3.3232 -3.4939 PRESSURE: 1139600 223.228 200.537 106.602 200.537 -218.567 229.249 106.602 229.249 -66.9066 GPRESSURE: 1139600 273.327 255.606 100.33 193.196 -165.666 297.972 95.8962 144.861 -68.1045 PRESSAVG: 1139600 0.160041 49.9488 4.99557 49.9489 -24.3698 43.6871 4.99552 43.6869 71.9676 GPRESSAVG: 1139600 0.175549 49.2218 0.931309 50.6283 -24.0465 43.3466 6.26351 45.0115 72.0321 TIMING: 1139600 CPU: 3396.24, 0.00296187/step Wall: 3396.24, 0.00296187/step, 3.17611 hours remaining, 207.480469 MB of memory in use. ENERGY: 1139600 759.0678 2072.1898 1922.8944 119.5383 -205933.9330 17684.3560 0.0000 0.0000 34179.1008 -149196.7860 298.4946 -183375.8868 -149094.2744 299.1769 -20.7486 13.1852 556590.2938 15.9193 16.0537 PRESSURE: 1139800 -341.428 139.206 -74.9681 139.205 229.33 166.933 -74.9672 166.933 -292.959 GPRESSURE: 1139800 -267.84 46.8333 -92.2787 178.539 214.526 188.399 -17.1445 192.79 -254.964 PRESSAVG: 1139800 27.1813 19.7396 -15.2127 19.7396 -22.3488 61.3967 -15.2127 61.3968 -25.8732 GPRESSAVG: 1139800 27.8204 19.2356 -10.2867 19.3593 -23.6365 62.88 -17.1426 59.0151 -25.2042 TIMING: 1139800 CPU: 3396.83, 0.00297204/step Wall: 3396.83, 0.00297204/step, 3.18685 hours remaining, 207.480469 MB of memory in use. ENERGY: 1139800 733.1565 2141.3506 1909.2552 108.2202 -205999.5582 17636.3115 0.0000 0.0000 34254.4056 -149216.8587 299.1522 -183471.2643 -149119.1100 298.7180 -135.0189 -102.7596 556679.6732 -7.0136 -7.0067 PRESSURE: 1140000 -25.1237 -162.269 96.8299 -162.268 -34.4196 32.5525 96.829 32.5545 -118.515 GPRESSURE: 1140000 -43.4056 -164.228 187.922 -58.6867 26.8725 48.0891 94.4795 -18.8885 -67.0216 PRESSAVG: 1140000 -60.9949 -15.9853 -1.32286 -15.9853 114.817 40.0709 -1.32294 40.0711 -12.297 GPRESSAVG: 1140000 -60.3157 -14.7006 -3.47217 -17.1712 114.606 41.1763 0.219702 39.8315 -12.7374 TIMING: 1140000 CPU: 3397.42, 0.00297379/step Wall: 3397.42, 0.00297379/step, 3.18857 hours remaining, 207.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1140000 755.2385 2073.1002 1952.6524 109.8597 -206036.7679 17503.7128 0.0000 0.0000 34422.2388 -149219.9656 300.6180 -183642.2044 -149121.5752 299.2039 -59.3527 -27.8516 556525.3639 13.8417 13.8510 PRESSURE: 1140200 302.108 18.4727 -93.6106 18.4725 -120.467 46.7781 -93.6089 46.7775 -153.102 GPRESSURE: 1140200 306.088 7.86918 -25.4227 -73.4222 -51.6624 -10.4778 -57.4415 101.262 -139.537 PRESSAVG: 1140200 -40.2781 54.7657 -30.523 54.7657 25.1911 56.2281 -30.5228 56.2283 3.52459 GPRESSAVG: 1140200 -41.7098 52.5743 -31.3855 55.2591 25.8339 53.0464 -31.3134 56.5781 4.51641 TIMING: 1140200 CPU: 3398.02, 0.00299776/step Wall: 3398.02, 0.00299776/step, 3.2141 hours remaining, 207.480469 MB of memory in use. ENERGY: 1140200 729.9730 2064.8279 1928.9923 113.1256 -206436.2049 17861.2738 0.0000 0.0000 34616.4638 -149121.5485 302.3142 -183738.0123 -149027.4856 299.7339 9.5133 38.2961 557146.6736 -3.8541 -3.7865 LDB: ============= START OF LOAD BALANCING ============== 3401.57 LDB: ============== END OF LOAD BALANCING =============== 3401.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3401.57 LDB: ============= START OF LOAD BALANCING ============== 3401.87 LDB: Largest compute 4773 load 0.026904 is 22.8% of average load 0.118172 LDB: Average compute 0.001732 is 1.5% of average load 0.118172 LDB: TIME 3401.87 LOAD: AVG 0.118172 MAX 0.209889 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.773 MB LDB: TIME 3401.87 LOAD: AVG 0.118172 MAX 0.209889 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: TIME 3401.87 LOAD: AVG 0.118172 MAX 0.209889 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3401.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3401.88 PRESSURE: 1140400 -207.986 -19.7009 134.349 -19.7003 -187.518 -72.0413 134.348 -72.0396 -193.691 GPRESSURE: 1140400 -207.651 5.85703 6.01245 -24.1044 -154.232 -15.3369 219.461 -65.8225 -132.728 PRESSAVG: 1140400 22.5397 -17.7136 -26.173 -17.7137 -15.1428 35.3179 -26.173 35.318 -32.2571 GPRESSAVG: 1140400 21.0978 -17.5218 -25.9435 -17.0487 -13.7591 36.4166 -25.7306 33.526 -32.7622 TIMING: 1140400 CPU: 3398.63, 0.00303447/step Wall: 3398.63, 0.00303447/step, 3.25329 hours remaining, 206.511719 MB of memory in use. ENERGY: 1140400 749.8421 2078.4402 1915.8866 110.0979 -205616.3816 17454.6274 0.0000 0.0000 34218.3821 -149089.1052 298.8376 -183307.4873 -148986.0466 300.2363 -196.3984 -164.8706 559258.7808 -8.2868 -8.4745 PRESSURE: 1140600 52.351 -46.9289 -133.221 -46.9294 -60.3197 -142.205 -133.222 -142.207 56.6637 GPRESSURE: 1140600 87.9938 -77.8502 -142.048 -65.6653 -16.9157 -187.761 -186.722 -116.297 65.3495 PRESSAVG: 1140600 3.71809 -6.16926 -24.684 -6.16931 20.8083 -30.8969 -24.684 -30.8969 -35.3806 GPRESSAVG: 1140600 4.6293 -4.63956 -24.3198 -7.01037 20.408 -31.701 -25.843 -27.9201 -35.3045 TIMING: 1140600 CPU: 3399.23, 0.00297697/step Wall: 3399.23, 0.00297697/step, 3.19148 hours remaining, 206.511719 MB of memory in use. ENERGY: 1140600 771.9329 2038.2009 1961.0895 116.7934 -206166.5960 17884.3499 0.0000 0.0000 34344.5679 -149049.6613 299.9397 -183394.2292 -148956.1535 299.6878 16.2317 45.4759 556489.2813 -3.6181 -3.4224 PRESSURE: 1140800 367.818 20.9725 -22.4672 20.9715 -25.1445 -83.1279 -22.4663 -83.1258 297.546 GPRESSURE: 1140800 363.897 38.3162 62.3182 -95.979 42.6443 -125.376 -57.7581 -58.8738 334.008 PRESSAVG: 1140800 48.7033 13.9389 -55.3971 13.9388 5.03071 17.1006 -55.397 17.1006 -13.8699 GPRESSAVG: 1140800 49.6315 12.1568 -56.013 13.4427 5.1153 17.0571 -55.2439 16.0515 -14.8397 TIMING: 1140800 CPU: 3399.82, 0.00297036/step Wall: 3399.82, 0.00297036/step, 3.18423 hours remaining, 206.511719 MB of memory in use. ENERGY: 1140800 782.4736 2012.4217 1916.5519 107.5179 -206351.2676 18155.0084 0.0000 0.0000 34358.4964 -149018.7978 300.0613 -183377.2942 -148926.2023 299.4251 213.4065 246.8497 557430.8534 13.2880 13.3024 PRESSURE: 1141000 168.317 -92.1728 -60.3419 -92.1726 -191.205 113.755 -60.3426 113.757 193.259 GPRESSURE: 1141000 179.235 -100.756 -112.138 -65.6021 -117.753 86.5591 -76.6485 115.854 201.809 PRESSAVG: 1141000 -30.2213 -19.5095 9.75107 -19.5095 35.8864 41.2445 9.75104 41.2446 9.91674 GPRESSAVG: 1141000 -31.5769 -17.8368 10.1329 -17.7513 36.5223 41.5817 10.3586 40.8769 11.053 TIMING: 1141000 CPU: 3400.41, 0.00295627/step Wall: 3400.41, 0.00295627/step, 3.16895 hours remaining, 206.511719 MB of memory in use. ENERGY: 1141000 732.8452 2138.1516 1901.7577 113.9771 -205955.0502 17839.5046 0.0000 0.0000 34212.5911 -149016.2229 298.7871 -183228.8140 -148928.0862 300.1833 56.7902 87.7634 557617.3847 5.1940 5.3328 PRESSURE: 1141200 -103.064 -1.7968 81.4144 -1.79587 92.0468 157.124 81.4154 157.125 -61.2897 GPRESSURE: 1141200 -53.6228 56.259 81.6103 7.18884 85.1429 162.697 117.219 145.346 1.95657 PRESSAVG: 1141200 -7.82395 36.6426 18.8169 36.6427 -7.12654 42.3162 18.8169 42.3161 14.4323 GPRESSAVG: 1141200 -6.1426 35.8336 17.4626 34.9752 -8.59392 43.2703 19.696 42.3093 14.0308 TIMING: 1141200 CPU: 3401, 0.00296033/step Wall: 3401, 0.00296033/step, 3.17314 hours remaining, 206.511719 MB of memory in use. ENERGY: 1141200 752.1803 2100.9387 1911.1976 105.0238 -205963.2465 17764.3491 0.0000 0.0000 34156.0257 -149173.5314 298.2931 -183329.5571 -149075.4344 299.8018 -24.1021 11.1589 556787.8101 -0.1727 -0.2352 PRESSURE: 1141400 -294.449 -69.7164 35.1173 -69.7149 84.6169 40.8451 35.1165 40.8436 172.071 GPRESSURE: 1141400 -237.62 -4.49068 -7.96026 -31.36 129.263 60.4457 59.4183 108.095 167.594 PRESSAVG: 1141400 37.5391 26.7977 30.7681 26.7977 -55.4549 8.4477 30.7681 8.44763 8.13944 GPRESSAVG: 1141400 35.792 26.9094 29.3363 28.3067 -54.5045 7.59147 31.385 8.88561 8.80865 TIMING: 1141400 CPU: 3401.59, 0.00293692/step Wall: 3401.59, 0.00293692/step, 3.14789 hours remaining, 206.511719 MB of memory in use. ENERGY: 1141400 742.8501 2048.2215 1924.5950 121.9750 -205780.8320 17759.5138 0.0000 0.0000 34170.2946 -149013.3819 298.4177 -183183.6766 -148915.4793 299.3006 -12.5869 19.7454 557259.4336 -3.2588 -3.3013 PRESSURE: 1141600 168.902 4.86901 80.1657 4.86898 -52.2374 82.1644 80.1663 82.1644 43.6358 GPRESSURE: 1141600 180.081 -36.2252 91.0107 42.5338 -26.4075 204.555 110.69 137.146 96.3884 PRESSAVG: 1141600 14.2784 -10.4178 18.0588 -10.4178 -8.68083 7.71729 18.0589 7.71732 46.9901 GPRESSAVG: 1141600 14.9811 -10.8434 18.7117 -10.2646 -10.0212 8.20798 18.9899 6.68957 46.5744 TIMING: 1141600 CPU: 3402.18, 0.00295411/step Wall: 3402.18, 0.00295411/step, 3.16615 hours remaining, 206.511719 MB of memory in use. ENERGY: 1141600 744.2182 2112.0889 1925.5171 106.8435 -206256.3384 17906.5898 0.0000 0.0000 34290.2997 -149170.7811 299.4657 -183461.0808 -149082.4580 299.3562 53.4336 83.3541 558161.5234 17.5292 17.1781 PRESSURE: 1141800 -83.1098 -60.5423 -14.8163 -60.5427 -64.0103 91.0786 -14.8154 91.0798 -48.8908 GPRESSURE: 1141800 -43.5938 -16.3178 -63.1255 -75.5031 20.859 102.506 103.153 106.046 -63.8464 PRESSAVG: 1141800 -23.0855 -72.3408 -51.9262 -72.3408 73.094 13.3124 -51.9262 13.3125 -42.0996 GPRESSAVG: 1141800 -22.786 -72.2694 -50.6357 -71.809 72.6587 13.0353 -53.9601 13.9484 -42.446 TIMING: 1141800 CPU: 3402.77, 0.00295318/step Wall: 3402.77, 0.00295318/step, 3.16499 hours remaining, 206.511719 MB of memory in use. ENERGY: 1141800 744.2066 2067.5763 1930.3243 112.6817 -205674.4972 17585.3450 0.0000 0.0000 34137.9596 -149096.4036 298.1353 -183234.3632 -149000.9950 299.5212 -65.3370 -28.8604 557879.1343 2.6363 2.4756 PRESSURE: 1142000 -126.19 75.7859 25.8158 75.7867 -75.1543 -97.3926 25.8154 -97.3909 75.3742 GPRESSURE: 1142000 -29.0587 54.5457 102.797 47.3803 -60.2633 -133.026 -38.8365 -34.6454 55.1973 PRESSAVG: 1142000 18.8487 25.7627 -24.935 25.7626 -39.6155 -14.6009 -24.935 -14.6009 13.0866 GPRESSAVG: 1142000 19.4485 23.9098 -24.6193 24.7047 -39.1416 -13.6631 -22.94 -16.1909 12.0509 TIMING: 1142000 CPU: 3403.36, 0.00295763/step Wall: 3403.36, 0.00295763/step, 3.16959 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1142000 715.0756 2077.0164 1908.3455 117.3559 -205977.9200 17635.2552 0.0000 0.0000 34433.5440 -149091.3273 300.7167 -183524.8713 -148997.7959 298.8536 -41.9902 -11.3749 558107.9885 -2.5600 -2.5474 PRESSURE: 1142200 -52.3232 -22.5782 -151.239 -22.5791 5.12807 -4.02832 -151.239 -4.02973 171.029 GPRESSURE: 1142200 -46.7859 38.5981 -105.768 -126.72 1.01218 -35.0028 -166.541 -2.00912 262.699 PRESSAVG: 1142200 -16.8108 -31.9323 -1.66835 -31.9323 27.2286 -61.2291 -1.66837 -61.229 20.752 GPRESSAVG: 1142200 -17.7308 -29.7624 -1.04617 -32.023 27.4173 -60.8456 -4.51423 -61.2751 22.0436 TIMING: 1142200 CPU: 3403.95, 0.00295168/step Wall: 3403.95, 0.00295168/step, 3.16306 hours remaining, 206.511719 MB of memory in use. ENERGY: 1142200 752.2179 2058.1355 1893.4608 112.2173 -206166.0171 17941.5513 0.0000 0.0000 34307.8681 -149100.5662 299.6191 -183408.4342 -149005.8111 299.9456 41.2778 72.3084 557330.6144 10.3900 10.5767 PRESSURE: 1142400 -52.8727 -50.2543 102.536 -50.2546 100.691 48.3303 102.536 48.3311 -294.673 GPRESSURE: 1142400 -20.9205 -59.7636 149.622 42.3597 162.028 92.4519 84.487 48.0876 -288.678 PRESSAVG: 1142400 -4.36716 9.57091 14.2761 9.57088 -54.8196 -31.6234 14.276 -31.6233 57.3253 GPRESSAVG: 1142400 -4.86835 8.1829 12.1936 10.8286 -53.8167 -33.1325 16.6204 -32.9525 57.1133 TIMING: 1142400 CPU: 3404.54, 0.00295266/step Wall: 3404.54, 0.00295266/step, 3.16394 hours remaining, 206.773438 MB of memory in use. ENERGY: 1142400 765.6191 2070.3924 1919.4367 122.8339 -205935.3963 17727.0556 0.0000 0.0000 34255.7119 -149074.3467 299.1637 -183330.0586 -148974.5171 300.4137 -82.2847 -49.1902 555955.3663 -0.6205 -0.5239 PRESSURE: 1142600 -138.188 -56.8842 12.7249 -56.8846 -50.1792 9.98556 12.7246 9.98651 34.8971 GPRESSURE: 1142600 -92.9093 1.77802 75.9744 -4.06979 -31.6981 7.2333 -115.613 4.21808 63.3264 PRESSAVG: 1142600 64.0513 7.41644 4.76717 7.41638 33.7374 -38.9629 4.7672 -38.9628 -92.9953 GPRESSAVG: 1142600 64.5144 8.71273 4.25408 7.13333 32.1969 -39.7558 2.72036 -37.3849 -92.4656 TIMING: 1142600 CPU: 3405.13, 0.00293953/step Wall: 3405.13, 0.00293953/step, 3.14971 hours remaining, 206.773438 MB of memory in use. ENERGY: 1142600 738.0357 2059.2672 1935.6844 108.9435 -206021.5219 17670.3858 0.0000 0.0000 34437.3863 -149071.8190 300.7503 -183509.2054 -148972.3637 300.2301 -51.1567 -20.4270 555684.6745 1.5978 1.4152 PRESSURE: 1142800 -95.4232 -87.2288 -30.7146 -87.2279 -179.854 16.0818 -30.7146 16.0805 105.145 GPRESSURE: 1142800 -84.3853 -15.8479 24.2029 -95.7745 -113.006 22.9885 -19.1088 -47.4608 115.78 PRESSAVG: 1142800 -39.1216 -15.0737 22.2554 -15.0737 13.2417 49.3003 22.2554 49.3003 14.4212 GPRESSAVG: 1142800 -38.8012 -15.6513 23.1178 -14.6028 15.3839 51.7943 24.261 46.5046 11.8058 TIMING: 1142800 CPU: 3405.72, 0.00295237/step Wall: 3405.72, 0.00295237/step, 3.1633 hours remaining, 206.773438 MB of memory in use. ENERGY: 1142800 738.8693 2044.9439 1955.2775 115.8166 -205673.0507 17483.0624 0.0000 0.0000 34391.3955 -148943.6854 300.3486 -183335.0809 -148843.8756 300.2646 -56.7108 -27.2036 557370.9384 -3.8196 -3.8705 PRESSURE: 1143000 -70.9547 194.259 -275.802 194.259 -54.6655 83.8125 -275.802 83.8124 56.1888 GPRESSURE: 1143000 -86.8053 191.124 -315.713 200.292 20.7118 25.3937 -261.88 -10.7687 94.7502 PRESSAVG: 1143000 -42.3477 -15.4847 19.3027 -15.4847 -19.3844 29.0567 19.3029 29.0566 79.0972 GPRESSAVG: 1143000 -43.2295 -16.7944 19.9634 -14.8416 -21.105 29.6106 17.3597 29.4072 81.5248 TIMING: 1143000 CPU: 3406.32, 0.00297971/step Wall: 3406.32, 0.00297971/step, 3.19243 hours remaining, 206.773438 MB of memory in use. ENERGY: 1143000 744.9973 2053.9092 1930.0941 106.9661 -205861.3587 17624.1706 0.0000 0.0000 34471.0140 -148930.2075 301.0439 -183401.2215 -148829.2041 300.5435 -23.1438 9.5522 556466.1543 5.7884 5.7301 PRESSURE: 1143200 -342.45 28.2288 -76.9735 28.2283 -350.644 39.2664 -76.9732 39.2659 46.2343 GPRESSURE: 1143200 -319.697 67.7441 -41.9095 42.2608 -307.133 89.3022 -109.315 22.3107 84.1667 PRESSAVG: 1143200 -30.8284 -1.8698 -4.47691 -1.8697 4.11596 60.8871 -4.47691 60.8872 123.831 GPRESSAVG: 1143200 -30.1745 -1.40967 -4.09997 -2.04919 4.01818 59.7089 -2.15695 61.6717 123.018 TIMING: 1143200 CPU: 3406.92, 0.00298111/step Wall: 3406.92, 0.00298111/step, 3.19376 hours remaining, 206.773438 MB of memory in use. ENERGY: 1143200 771.5440 2075.0333 1925.8737 119.3084 -205681.8742 17334.8968 0.0000 0.0000 34530.8273 -148924.3907 301.5663 -183455.2180 -148819.4173 300.7152 -215.6199 -180.8876 555677.0281 32.3727 32.2872 PRESSURE: 1143400 74.5191 -139.848 76.2762 -139.848 -16.5971 -104.23 76.2771 -104.229 -141.102 GPRESSURE: 1143400 69.9854 -80.6408 140.638 -190.191 26.9866 -136.281 -18.4901 14.6515 -91.588 PRESSAVG: 1143400 -16.6037 -23.3313 6.1698 -23.3314 -56.2606 -32.7653 6.16982 -32.7652 41.1142 GPRESSAVG: 1143400 -18.7186 -22.9229 4.68089 -24.1593 -55.3846 -34.0322 5.14023 -32.1706 42.5254 TIMING: 1143400 CPU: 3407.51, 0.00296815/step Wall: 3407.51, 0.00296815/step, 3.17971 hours remaining, 206.773438 MB of memory in use. ENERGY: 1143400 773.9185 2038.2451 1953.0552 118.5003 -205970.3383 17705.8323 0.0000 0.0000 34473.6924 -148907.0945 301.0673 -183380.7869 -148817.0838 299.9359 -27.7265 1.7947 555932.1142 -10.5834 -10.5260 PRESSURE: 1143600 32.4172 59.5779 -22.6915 59.5794 36.2699 -43.4755 -22.6907 -43.4756 179.73 GPRESSURE: 1143600 51.791 67.7703 4.51813 66.0062 84.005 -82.7567 36.6697 10.2281 211.279 PRESSAVG: 1143600 -12.0029 -27.4151 -11.3868 -27.4151 -1.38504 -20.2832 -11.3868 -20.2832 33.0412 GPRESSAVG: 1143600 -10.4949 -26.6283 -10.7561 -28.6048 -2.61765 -19.4186 -10.1434 -19.8011 32.7472 TIMING: 1143600 CPU: 3408.1, 0.0029639/step Wall: 3408.1, 0.0029639/step, 3.175 hours remaining, 206.773438 MB of memory in use. ENERGY: 1143600 753.6812 2049.1332 1945.3664 101.6461 -206080.8134 17857.0939 0.0000 0.0000 34424.2648 -148949.6279 300.6357 -183373.8927 -148852.5475 299.6387 82.8057 115.6917 556720.7053 6.5511 6.5449 PRESSURE: 1143800 121.994 -128.083 45.2004 -128.083 203.686 -7.24932 45.2 -7.24888 9.43152 GPRESSURE: 1143800 130.36 -97.6762 97.2887 -84.3722 162.547 19.9183 102.446 -6.29082 131.194 PRESSAVG: 1143800 -7.00157 -15.4244 -27.6364 -15.4245 -4.94012 -11.8172 -27.6364 -11.8171 67.3597 GPRESSAVG: 1143800 -7.16274 -15.2619 -25.7651 -15.1137 -4.28333 -11.9462 -29.0475 -12.1569 66.9918 TIMING: 1143800 CPU: 3408.69, 0.00296411/step Wall: 3408.69, 0.00296411/step, 3.17505 hours remaining, 206.773438 MB of memory in use. ENERGY: 1143800 693.0596 2056.8055 1926.4878 121.6873 -205648.6685 17669.2696 0.0000 0.0000 34394.0183 -148787.3404 300.3715 -183181.3587 -148682.8929 299.4163 111.7039 141.3671 558099.5478 18.4727 18.5152 PRESSURE: 1144000 245.503 91.423 3.07138 91.4234 -112.877 104.588 3.07131 104.586 -51.6025 GPRESSURE: 1144000 275.964 64.2898 27.0198 126.332 -60.2333 115.045 -70.9337 63.2479 -47.5332 PRESSAVG: 1144000 -20.3066 39.213 -22.6931 39.2132 -2.82458 7.07315 -22.6931 7.07318 30.6352 GPRESSAVG: 1144000 -19.9765 38.7636 -24.2495 40.9113 -3.79456 5.50994 -22.1147 8.07144 30.7314 TIMING: 1144000 CPU: 3409.29, 0.00297239/step Wall: 3409.29, 0.00297239/step, 3.18376 hours remaining, 206.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1144000 751.3879 2129.9305 1934.4310 122.2542 -205863.7418 17774.8156 0.0000 0.0000 34503.2703 -148647.6523 301.3256 -183150.9226 -148551.6511 300.8897 27.0079 56.0660 559125.1451 2.5013 2.3201 PRESSURE: 1144200 62.2408 -169.826 -138.458 -169.825 -71.8353 92.9705 -138.458 92.9712 -3.19516 GPRESSURE: 1144200 71.7879 -181.941 -229.133 -85.331 12.214 143.927 -24.6689 59.2487 -14.9155 PRESSAVG: 1144200 -18.1313 -19.1071 -62.9663 -19.1071 -20.5497 -19.6387 -62.9663 -19.6388 11.5302 GPRESSAVG: 1144200 -18.8007 -19.1303 -64.4829 -19.7312 -20.5136 -18.41 -61.6415 -20.1623 11.9788 TIMING: 1144200 CPU: 3409.89, 0.00298482/step Wall: 3409.89, 0.00298482/step, 3.19691 hours remaining, 206.773438 MB of memory in use. ENERGY: 1144200 722.3812 2065.0399 1903.7455 115.5199 -205874.9089 17715.3273 0.0000 0.0000 34508.5389 -148844.3563 301.3717 -183352.8952 -148743.4683 300.9654 -4.2632 23.0288 557628.3690 -9.0503 -9.1118 LDB: ============= START OF LOAD BALANCING ============== 3413.43 LDB: ============== END OF LOAD BALANCING =============== 3413.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3413.43 LDB: ============= START OF LOAD BALANCING ============== 3413.73 LDB: Largest compute 4773 load 0.027039 is 22.9% of average load 0.118117 LDB: Average compute 0.001736 is 1.5% of average load 0.118117 LDB: TIME 3413.73 LOAD: AVG 0.118117 MAX 0.209617 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.703 MB LDB: TIME 3413.73 LOAD: AVG 0.118117 MAX 0.209617 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.707 MB LDB: TIME 3413.73 LOAD: AVG 0.118117 MAX 0.209617 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.707 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3413.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3413.74 PRESSURE: 1144400 28.2558 161.262 39.3324 161.264 -80.4922 74.3447 39.3324 74.3449 -56.2567 GPRESSURE: 1144400 29.8614 170.68 37.9115 176.425 -54.2702 134.22 60.3368 104.455 5.82389 PRESSAVG: 1144400 16.5489 -44.3668 -13.8278 -44.3667 -13.8723 33.4761 -13.8278 33.476 -2.67615 GPRESSAVG: 1144400 16.745 -42.7755 -13.8771 -45.086 -12.9436 31.0254 -15.3473 34.6989 -3.86964 TIMING: 1144400 CPU: 3410.49, 0.00301421/step Wall: 3410.49, 0.00301421/step, 3.22822 hours remaining, 206.773438 MB of memory in use. ENERGY: 1144400 701.0605 2040.9645 1926.5779 93.8007 -205415.1446 17446.5170 0.0000 0.0000 34469.2638 -148736.9602 301.0287 -183206.2240 -148639.1294 300.6456 -36.1644 -6.1950 557135.2698 0.0001 -0.0227 PRESSURE: 1144600 -24.2041 43.0954 -102.499 43.0947 239.929 -34.5298 -102.499 -34.5304 -91.2724 GPRESSURE: 1144600 26.6707 -25.7435 -170.17 103.012 293.943 10.6354 -156.896 -158.177 -88.7622 PRESSAVG: 1144600 -50.4357 45.1626 9.19942 45.1627 1.48175 -35.2756 9.19938 -35.2757 48.2505 GPRESSAVG: 1144600 -50.3939 44.0765 7.54532 44.6543 1.69003 -33.7879 10.1069 -38.1009 47.799 TIMING: 1144600 CPU: 3411.08, 0.00298055/step Wall: 3411.08, 0.00298055/step, 3.192 hours remaining, 206.773438 MB of memory in use. ENERGY: 1144600 760.6602 2034.0364 1925.1581 120.9399 -205612.4234 17669.7004 0.0000 0.0000 34496.0040 -148605.9244 301.2622 -183101.9284 -148510.7667 300.8644 41.4842 77.2837 555866.8831 -0.2345 -0.3016 PRESSURE: 1144800 390.937 -6.89085 53.4792 -6.88954 37.7177 74.352 53.4788 74.3532 9.95657 GPRESSURE: 1144800 431.856 -15.9106 -24.5669 86.5462 68.2501 37.2606 85.2565 105.772 26.6922 PRESSAVG: 1144800 26.1141 0.651211 -2.89969 0.651138 -30.2451 -24.4308 -2.89972 -24.4307 36.7239 GPRESSAVG: 1144800 26.243 -1.58767 0.444792 2.93984 -31.5221 -23.0948 -4.47587 -25.7745 37.7333 TIMING: 1144800 CPU: 3411.68, 0.00298979/step Wall: 3411.68, 0.00298979/step, 3.20173 hours remaining, 206.773438 MB of memory in use. ENERGY: 1144800 748.8838 2114.5561 1916.3059 110.8872 -205469.1580 17793.9725 0.0000 0.0000 34331.9410 -148452.6115 299.8294 -182784.5526 -148350.5595 301.2608 146.2036 175.5995 557845.3554 10.8643 10.8181 PRESSURE: 1145000 -274.285 -90.9522 -23.8205 -90.9533 12.1654 -156.687 -23.8204 -156.685 135.636 GPRESSURE: 1145000 -203.282 -19.7917 -41.6 -148.128 -13.8448 -104.134 54.5442 -231.98 180.047 PRESSAVG: 1145000 15.3172 15.0009 18.5937 15.0008 -3.6475 -4.67603 18.5938 -4.67601 26.9583 GPRESSAVG: 1145000 16.071 17.1312 17.6435 11.8486 -3.31684 -5.19073 20.5918 -3.39071 25.8601 TIMING: 1145000 CPU: 3412.28, 0.00297937/step Wall: 3412.28, 0.00297937/step, 3.19041 hours remaining, 206.773438 MB of memory in use. ENERGY: 1145000 744.1656 2056.4076 1925.7444 126.8883 -205649.8710 17571.2393 0.0000 0.0000 34674.5629 -148550.8628 302.8216 -183225.4257 -148448.9425 301.4693 -42.1612 -12.3601 557242.7888 12.8760 12.8714 PRESSURE: 1145200 95.7681 -14.8339 -228.117 -14.8337 -143.14 -72.7424 -228.117 -72.7421 252.534 GPRESSURE: 1145200 92.908 -28.2969 -303.84 -71.3541 -7.58004 -66.9177 -189.032 -25.803 222.86 PRESSAVG: 1145200 -19.3956 11.78 -2.25933 11.7799 99.1266 32.4866 -2.25933 32.4866 -69.5255 GPRESSAVG: 1145200 -21.5474 12.0746 -1.50015 11.3403 100.501 33.4261 -2.56403 32.9575 -69.0313 TIMING: 1145200 CPU: 3412.87, 0.00296047/step Wall: 3412.87, 0.00296047/step, 3.17 hours remaining, 206.898438 MB of memory in use. ENERGY: 1145200 766.5477 2078.4936 1931.7446 114.4141 -205729.9165 17858.3457 0.0000 0.0000 34447.1669 -148533.2039 300.8357 -182980.3707 -148437.3157 301.5938 68.3875 102.7294 557037.1439 3.4019 3.3074 PRESSURE: 1145400 -153.177 132.819 -164.587 132.819 106.598 141.702 -164.587 141.702 91.629 GPRESSURE: 1145400 -99.6182 26.2897 -205.637 182.676 170.145 208.602 -85.3535 56.4332 87.6995 PRESSAVG: 1145400 8.32804 16.9968 -63.0214 16.9967 53.5209 23.9214 -63.0214 23.9215 -35.8371 GPRESSAVG: 1145400 9.28961 18.3615 -62.9513 18.0869 52.7684 23.0153 -64.161 24.8622 -36.0589 TIMING: 1145400 CPU: 3413.46, 0.00297058/step Wall: 3413.46, 0.00297058/step, 3.18066 hours remaining, 206.898438 MB of memory in use. ENERGY: 1145400 744.6371 2067.7706 1934.1943 104.2612 -205534.0958 17653.5737 0.0000 0.0000 34316.9663 -148712.6924 299.6986 -183029.6587 -148611.4714 301.5586 15.0168 52.7422 556995.9352 8.6706 8.6664 PRESSURE: 1145600 -163.671 140.551 -47.9018 140.552 -330.786 266.18 -47.9011 266.181 -84.2668 GPRESSURE: 1145600 -155.744 153.754 -35.7661 145.995 -292.97 262.478 -166.498 334.72 -28.3518 PRESSAVG: 1145600 41.1349 11.3875 -31.9481 11.3876 -80.0169 77.6582 -31.9481 77.6582 18.9583 GPRESSAVG: 1145600 40.3371 10.3785 -31.9461 10.4721 -79.6451 77.5259 -31.8539 76.8182 19.5761 TIMING: 1145600 CPU: 3414.06, 0.00297662/step Wall: 3414.06, 0.00297662/step, 3.18697 hours remaining, 206.898438 MB of memory in use. ENERGY: 1145600 769.0463 2085.1500 1931.6039 107.0121 -205841.4902 17461.8069 0.0000 0.0000 34464.6335 -149022.2376 300.9882 -183486.8711 -148930.6458 300.6903 -192.9078 -159.0218 557553.9396 -6.6412 -6.5773 PRESSURE: 1145800 -92.0258 -82.7337 -57.1927 -82.7325 153.806 -101.808 -57.1931 -101.809 39.1256 GPRESSURE: 1145800 -31.1113 -141.793 12.838 32.6852 167.677 -214.906 -82.0184 -17.0416 60.1273 PRESSAVG: 1145800 -8.64776 -25.1567 16.5362 -25.1567 -6.64434 -25.1115 16.5362 -25.1115 48.9374 GPRESSAVG: 1145800 -8.79835 -24.759 16.3603 -24.7316 -6.21919 -23.8901 16.3331 -24.1972 48.4698 TIMING: 1145800 CPU: 3414.66, 0.00301102/step Wall: 3414.66, 0.00301102/step, 3.22363 hours remaining, 206.898438 MB of memory in use. ENERGY: 1145800 735.5866 2101.8365 1940.8889 128.4007 -206351.4013 17893.0265 0.0000 0.0000 34364.6541 -149187.0079 300.1151 -183551.6620 -149087.3980 299.9983 33.6353 65.5642 556638.5973 11.2151 11.1508 PRESSURE: 1146000 319.85 62.1419 -92.241 62.14 -159.812 138.819 -92.2411 138.819 55.499 GPRESSURE: 1146000 347.264 108.688 -19.7341 19.9493 -140.689 93.0618 -90.737 189.904 109.313 PRESSAVG: 1146000 87.2562 30.9154 -36.6746 30.9154 -40.1457 -7.64948 -36.6746 -7.64946 -6.14887 GPRESSAVG: 1146000 89.4616 30.3335 -35.9194 31.7107 -41.7783 -7.16134 -35.2683 -7.63919 -6.59894 TIMING: 1146000 CPU: 3415.26, 0.00301073/step Wall: 3415.26, 0.00301073/step, 3.22316 hours remaining, 206.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1146000 733.3371 2119.9008 1914.2079 111.3273 -206065.2928 17749.9841 0.0000 0.0000 34341.1959 -149095.3398 299.9102 -183436.5357 -148995.8850 300.0333 71.8456 105.2960 556193.7540 13.6539 13.6948 PRESSURE: 1146200 -380.347 -19.4129 -95.3661 -19.4142 -217.607 -101.472 -95.3657 -101.472 -30.6911 GPRESSURE: 1146200 -345.464 -19.554 -121.949 -93.5987 -162.576 -128.141 -42.1017 -139.725 -40.358 PRESSAVG: 1146200 13.1366 14.301 29.8726 14.3009 -2.48319 27.1222 29.8727 27.1221 -0.472823 GPRESSAVG: 1146200 11.8301 14.004 28.0642 13.5132 -1.86219 26.3572 29.9507 27.3684 -0.0564872 TIMING: 1146200 CPU: 3415.87, 0.00301355/step Wall: 3415.87, 0.00301355/step, 3.22601 hours remaining, 206.898438 MB of memory in use. ENERGY: 1146200 733.0055 2111.5568 1942.4035 113.2233 -205665.1099 17452.1428 0.0000 0.0000 33946.8244 -149365.9536 296.4661 -183312.7780 -149266.2153 299.7076 -209.5486 -182.7994 557458.7542 3.3935 3.3038 PRESSURE: 1146400 32.2382 8.68264 -91.7215 8.68184 76.0443 32.6943 -91.7223 32.6944 -190.185 GPRESSURE: 1146400 41.9851 74.0927 -96.2141 -76.3354 44.8489 69.272 -61.7195 59.0507 -78.6944 PRESSAVG: 1146400 7.496 -18.2539 9.06152 -18.2538 -38.3509 35.5304 9.06148 35.5304 28.4671 GPRESSAVG: 1146400 5.3695 -19.5465 10.8696 -17.8105 -38.3683 34.6452 7.20352 35.552 30.2758 TIMING: 1146400 CPU: 3416.46, 0.00296975/step Wall: 3416.46, 0.00296975/step, 3.17895 hours remaining, 206.898438 MB of memory in use. ENERGY: 1146400 725.4241 2117.3566 1950.2059 125.5138 -206085.7262 17678.4477 0.0000 0.0000 34174.0279 -149314.7502 298.4503 -183488.7781 -149219.9656 298.8728 -27.3009 2.7132 557577.1462 -0.7959 -0.9077 PRESSURE: 1146600 21.3929 -5.668 -8.63631 -5.66737 118.493 -97.273 -8.63577 -97.2737 -108.538 GPRESSURE: 1146600 26.0537 -15.5515 29.2281 -37.5399 192.695 -167.651 -54.127 -105.891 -81.4981 PRESSAVG: 1146600 3.34028 26.748 -3.96311 26.748 -12.6036 13.6971 -3.9631 13.6971 2.92251 GPRESSAVG: 1146600 5.62944 26.2081 -3.89871 28.7485 -13.0342 14.2266 -4.49213 13.6892 1.08883 TIMING: 1146600 CPU: 3417.06, 0.00297776/step Wall: 3417.06, 0.00297776/step, 3.18736 hours remaining, 206.898438 MB of memory in use. ENERGY: 1146600 731.6014 2047.2012 1928.4858 113.9835 -206339.6793 17951.4869 0.0000 0.0000 34195.3938 -149371.5267 298.6369 -183566.9205 -149271.5881 298.9318 10.4493 45.7504 557285.9238 -2.1136 -2.1053 PRESSURE: 1146800 -156.458 130.779 -87.0422 130.78 -33.1365 -116.126 -87.0417 -116.125 -474.787 GPRESSURE: 1146800 -128.085 38.8613 -135.427 134.604 -65.1829 -94.24 -140.524 -161.469 -375.347 PRESSAVG: 1146800 -19.7348 42.5935 -26.8165 42.5934 16.0587 -8.80646 -26.8165 -8.80633 -43.057 GPRESSAVG: 1146800 -19.0574 42.8236 -27.5893 43.1639 16.1528 -7.30076 -25.7465 -9.41946 -43.1753 TIMING: 1146800 CPU: 3417.65, 0.0029766/step Wall: 3417.65, 0.0029766/step, 3.18596 hours remaining, 206.898438 MB of memory in use. ENERGY: 1146800 752.9274 2104.5148 1920.6715 115.2122 -206156.9054 17666.1019 0.0000 0.0000 34261.9321 -149335.5454 299.2180 -183597.4775 -149238.7363 299.3681 -221.4606 -189.5383 558292.8780 -15.5777 -15.3600 PRESSURE: 1147000 10.6928 -20.2541 -38.9842 -20.2541 195.389 -342.008 -38.9858 -342.007 119.655 GPRESSURE: 1147000 78.5408 9.52126 -50.9862 -8.39944 220.596 -266.298 -35.3668 -279.553 131.948 PRESSAVG: 1147000 13.2495 25.4716 -9.13116 25.4717 -42.2647 -62.7153 -9.13125 -62.7153 -24.5277 GPRESSAVG: 1147000 12.1426 25.7192 -8.51829 25.0505 -41.2667 -63.088 -8.27763 -62.8427 -24.1904 TIMING: 1147000 CPU: 3418.25, 0.00297883/step Wall: 3418.25, 0.00297883/step, 3.18817 hours remaining, 206.898438 MB of memory in use. ENERGY: 1147000 712.3264 2113.3044 1927.2133 103.2107 -206350.8113 17918.1344 0.0000 0.0000 34477.7141 -149098.9081 301.1025 -183576.6222 -148995.7684 299.2540 108.5790 143.6950 558193.2934 -17.8477 -17.7715 PRESSURE: 1147200 -122.798 87.6633 67.8355 87.6647 126.082 -123.561 67.8347 -123.56 -59.9233 GPRESSURE: 1147200 -143.032 126.636 174.921 108.474 166.618 -79.6249 31.2417 -96.6367 -0.152973 PRESSAVG: 1147200 -51.129 7.35667 18.4329 7.35683 43.0461 -4.18659 18.4329 -4.18666 32.5048 GPRESSAVG: 1147200 -50.236 9.01977 20.2828 6.38533 42.2394 -6.48236 18.7885 -2.77923 32.0138 TIMING: 1147200 CPU: 3418.84, 0.00295533/step Wall: 3418.84, 0.00295533/step, 3.16286 hours remaining, 206.898438 MB of memory in use. ENERGY: 1147200 751.8777 2079.6062 1939.3202 94.4915 -206269.8574 17923.3625 0.0000 0.0000 34328.7527 -149152.4466 299.8015 -183481.1993 -149053.5499 299.7727 -18.8796 7.8110 557962.0043 8.1406 8.0057 PRESSURE: 1147400 53.3093 64.8562 73.1443 64.8563 212.662 82.1956 73.1445 82.1948 110.24 GPRESSURE: 1147400 66.2377 119.175 194.653 59.9864 235.636 -27.7297 -18.7034 131.428 167.964 PRESSAVG: 1147400 -3.60139 36.7622 -13.6939 36.7623 62.2315 27.6234 -13.6939 27.6233 -54.7064 GPRESSAVG: 1147400 -4.49953 36.9251 -16.4115 35.5313 63.1327 27.6421 -12.2654 25.7342 -54.4633 TIMING: 1147400 CPU: 3419.43, 0.00294961/step Wall: 3419.43, 0.00294961/step, 3.15657 hours remaining, 206.898438 MB of memory in use. ENERGY: 1147400 720.1285 2062.2067 1937.9990 116.8142 -206068.9674 17926.7272 0.0000 0.0000 34462.1912 -148842.9006 300.9669 -183305.0918 -148751.7677 299.8789 125.4038 156.6124 558915.3926 1.3079 1.3899 PRESSURE: 1147600 153.138 -111 -61.6123 -111.001 88.4999 -105.63 -61.6107 -105.631 100.55 GPRESSURE: 1147600 128.325 -178.739 36.4768 -44.1809 156.614 -70.9388 -44.0815 -74.6274 151.089 PRESSAVG: 1147600 -84.5708 14.5637 -65.5054 14.5637 51.7862 36.2357 -65.5054 36.2357 -0.760327 GPRESSAVG: 1147600 -84.7849 13.7872 -63.6588 15.0027 50.9429 35.5809 -68.0959 38.0915 0.127961 TIMING: 1147600 CPU: 3420.02, 0.00296422/step Wall: 3420.02, 0.00296422/step, 3.17204 hours remaining, 206.898438 MB of memory in use. ENERGY: 1147600 792.0919 2182.6602 1936.8011 131.7089 -206367.0288 18084.6909 0.0000 0.0000 34412.5718 -148826.5040 300.5335 -183239.0758 -148736.1753 299.9437 114.0627 145.3425 559654.6208 -11.1816 -11.2380 PRESSURE: 1147800 -174.325 -106.328 -253.645 -106.328 -260.975 85.4665 -253.644 85.4672 -330.331 GPRESSURE: 1147800 -194.167 -62.8952 -252.018 -116.42 -160.736 151.989 -254.568 144.4 -318.101 PRESSAVG: 1147800 10.0232 -57.2831 -4.04995 -57.2831 49.1675 56.3296 -4.04989 56.3295 -12.8157 GPRESSAVG: 1147800 11.1067 -57.2325 -5.10306 -54.1497 48.7648 58.2058 -3.377 56.3309 -13.6495 TIMING: 1147800 CPU: 3420.62, 0.00297448/step Wall: 3420.62, 0.00297448/step, 3.18286 hours remaining, 206.898438 MB of memory in use. ENERGY: 1147800 745.9190 2098.6113 1958.1046 111.4987 -205441.2658 17312.4933 0.0000 0.0000 34377.1329 -148837.5060 300.2241 -183214.6389 -148735.6366 300.0932 -255.2106 -224.3348 558265.4389 15.4584 15.4073 PRESSURE: 1148000 -46.4396 -89.7965 81.2427 -89.7955 -117.313 -103.297 81.2412 -103.298 -211.821 GPRESSURE: 1148000 -15.9456 -104.564 114.299 -121.724 -53.688 -113.634 55.0589 -78.5909 -207.389 PRESSAVG: 1148000 -72.7717 24.8676 -7.47313 24.8676 52.3786 1.6067 -7.47313 1.60674 -16.7345 GPRESSAVG: 1148000 -73.9106 26.3787 -8.94735 23.9263 52.9592 2.8037 -5.63087 1.07096 -16.206 TIMING: 1148000 CPU: 3421.21, 0.00297652/step Wall: 3421.21, 0.00297652/step, 3.18487 hours remaining, 206.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1148000 770.5751 2101.3785 1933.0597 104.8206 -205941.6390 17666.3616 0.0000 0.0000 34450.7904 -148914.6531 300.8673 -183365.4435 -148822.2732 300.7902 -125.1911 -92.3408 557584.7243 -12.3759 -12.3858 PRESSURE: 1148200 141.034 83.5642 70.4434 83.5642 47.7085 189.945 70.4442 189.946 -18.7353 GPRESSURE: 1148200 209.922 130.479 51.5183 8.64557 64.4028 201.203 27.8151 224.447 -16.5987 PRESSAVG: 1148200 -35.0065 27.4187 15.5599 27.4187 1.18777 -29.0692 15.56 -29.0692 17.4771 GPRESSAVG: 1148200 -33.4357 27.1307 17.9505 26.0017 0.890039 -28.649 14.4999 -30.0984 16.2037 TIMING: 1148200 CPU: 3421.81, 0.00298427/step Wall: 3421.81, 0.00298427/step, 3.19301 hours remaining, 206.898438 MB of memory in use. ENERGY: 1148200 767.5790 2060.5617 1934.8314 102.9244 -206468.3313 18003.1796 0.0000 0.0000 34572.1296 -149027.1257 301.9270 -183599.2553 -148929.8168 300.6844 56.6690 85.9088 558070.7077 -5.4472 -5.4473 LDB: ============= START OF LOAD BALANCING ============== 3425.36 LDB: ============== END OF LOAD BALANCING =============== 3425.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3425.36 LDB: ============= START OF LOAD BALANCING ============== 3425.66 LDB: Largest compute 4773 load 0.026256 is 22.2% of average load 0.118193 LDB: Average compute 0.001731 is 1.5% of average load 0.118193 LDB: TIME 3425.66 LOAD: AVG 0.118193 MAX 0.210201 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 3425.66 LOAD: AVG 0.118193 MAX 0.210201 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: TIME 3425.66 LOAD: AVG 0.118193 MAX 0.210201 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: ============== END OF LOAD BALANCING =============== 3425.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3425.67 PRESSURE: 1148400 -15.8984 89.2628 -42.845 89.2621 56.1272 142.192 -42.8453 142.194 66.2364 GPRESSURE: 1148400 31.7392 103.679 -59.496 66.44 23.7307 133.673 -35.6567 143.847 155.622 PRESSAVG: 1148400 5.07592 21.4151 -16.7276 21.415 9.79475 40.7581 -16.7276 40.758 -20.0768 GPRESSAVG: 1148400 5.38483 22.1367 -18.5756 21.6992 8.66845 40.1214 -15.5814 41.7357 -19.7558 TIMING: 1148400 CPU: 3422.42, 0.00303246/step Wall: 3422.42, 0.00303246/step, 3.2444 hours remaining, 206.710938 MB of memory in use. ENERGY: 1148400 741.9942 2112.3443 1931.0789 113.7668 -205934.5131 17732.3783 0.0000 0.0000 34247.2343 -149055.7163 299.0896 -183302.9507 -148964.2408 300.0587 35.4884 70.3640 557499.5356 -1.7354 -1.9009 PRESSURE: 1148600 74.7738 -74.5523 24.8402 -74.554 -18.5676 78.8384 24.8416 78.838 -56.3432 GPRESSURE: 1148600 129.909 -77.5451 51.8518 -135.028 -18.0727 25.9 30.5733 146.711 -5.4133 PRESSAVG: 1148600 39.7276 17.9117 3.64248 17.9118 0.359811 41.1965 3.64244 41.1966 -24.305 GPRESSAVG: 1148600 39.4412 16.8805 4.85054 18.2913 1.65481 40.4427 3.04913 38.6566 -24.814 TIMING: 1148600 CPU: 3423.01, 0.00298712/step Wall: 3423.01, 0.00298712/step, 3.19572 hours remaining, 206.710938 MB of memory in use. ENERGY: 1148600 752.0915 2090.4757 1964.3999 123.0391 -206085.0383 17804.6910 0.0000 0.0000 34316.8696 -149033.4715 299.6978 -183350.3411 -148941.6335 299.8286 -0.0456 35.4742 558463.6871 5.2608 5.4273 PRESSURE: 1148800 -108.721 51.2839 170.843 51.2849 -208.654 18.8024 170.843 18.8022 -347.223 GPRESSURE: 1148800 -106.775 104.155 220.787 56.1524 -134.663 43.71 47.644 0.708558 -325.419 PRESSAVG: 1148800 36.38 34.7715 25.8813 34.7716 46.2908 -15.1065 25.8812 -15.1066 -90.6862 GPRESSAVG: 1148800 35.5233 34.3787 24.2981 33.8102 45.8304 -13.0625 25.8467 -13.9888 -89.689 TIMING: 1148800 CPU: 3423.61, 0.00296737/step Wall: 3423.61, 0.00296737/step, 3.17443 hours remaining, 206.710938 MB of memory in use. ENERGY: 1148800 726.9214 2161.4536 1923.6305 106.7773 -205494.3536 17400.8058 0.0000 0.0000 34231.5014 -148943.2636 298.9522 -183174.7650 -148850.2327 299.6469 -221.5329 -188.9524 558290.0663 -2.6718 -2.7784 PRESSURE: 1149000 -91.8126 -57.6569 94.2697 -57.6573 -206.81 -24.1657 94.2694 -24.1648 -398.33 GPRESSURE: 1149000 -16.2097 -65.7125 -13.9483 -73.9909 -154.347 -6.73339 161.145 25.9978 -440.475 PRESSAVG: 1149000 8.65596 19.4783 42.145 19.4782 26.3193 -23.2961 42.1452 -23.2962 1.13511 GPRESSAVG: 1149000 8.51673 19.9935 42.7423 20.03 26.7414 -23.8151 41.8341 -22.6148 1.07232 TIMING: 1149000 CPU: 3424.2, 0.00295514/step Wall: 3424.2, 0.00295514/step, 3.16118 hours remaining, 206.710938 MB of memory in use. ENERGY: 1149000 734.6549 2097.2049 1951.3207 128.5633 -205349.0203 17502.0558 0.0000 0.0000 34111.7452 -148823.4754 297.9064 -182935.2206 -148719.5838 299.5107 -232.3176 -203.6772 559316.7870 12.0368 12.1102 PRESSURE: 1149200 -276.558 24.0808 -40.3845 24.0811 -92.9754 -188.921 -40.385 -188.921 232.431 GPRESSURE: 1149200 -243.041 20.9781 -11.4855 63.7673 -70.5212 -81.6198 -23.033 -124.143 274.51 PRESSAVG: 1149200 -24.1558 -17.6979 -22.7121 -17.6979 4.95014 -58.4766 -22.7121 -58.4765 1.68533 GPRESSAVG: 1149200 -24.8235 -18.0241 -21.7266 -16.0008 3.63878 -57.8728 -22.498 -59.2513 3.08689 TIMING: 1149200 CPU: 3424.79, 0.00295592/step Wall: 3424.79, 0.00295592/step, 3.16184 hours remaining, 206.710938 MB of memory in use. ENERGY: 1149200 746.2778 2100.2780 1940.5495 112.0592 -206025.7760 17837.8066 0.0000 0.0000 34424.0345 -148864.7704 300.6337 -183288.8049 -148766.3321 299.5325 -45.7009 -13.0176 557186.5599 -5.8401 -6.0326 PRESSURE: 1149400 -124.674 -143.668 -85.2052 -143.667 15.2075 96.8589 -85.2056 96.8574 74.5063 GPRESSURE: 1149400 -54.8668 -62.5495 -52.0606 -111.731 22.9985 104.182 -43.8684 150.245 99.6596 PRESSAVG: 1149400 -12.0668 19.6142 3.54876 19.6142 8.74718 -63.0891 3.54871 -63.089 38.6641 GPRESSAVG: 1149400 -10.6393 19.7544 4.16527 18.5546 9.4964 -65.069 1.98584 -61.6904 36.6078 TIMING: 1149400 CPU: 3425.38, 0.00296749/step Wall: 3425.38, 0.00296749/step, 3.17406 hours remaining, 206.710938 MB of memory in use. ENERGY: 1149400 741.8306 2087.9623 1892.7227 111.4088 -205949.7744 17836.6598 0.0000 0.0000 34492.6085 -148786.5817 301.2325 -183279.1902 -148688.5581 300.5005 -11.6535 22.5971 557059.4772 11.7815 11.8216 PRESSURE: 1149600 -18.5935 38.0298 -62.1901 38.0295 12.4116 81.1305 -62.1903 81.1312 -215.638 GPRESSURE: 1149600 -6.73908 134.675 -37.5413 67.0475 13.0891 23.0712 -10.9581 182.252 -126.106 PRESSAVG: 1149600 87.3644 -27.5384 -3.95343 -27.5385 23.4938 1.40273 -3.95341 1.40275 -66.8893 GPRESSAVG: 1149600 87.2281 -28.1715 -6.49484 -25.3533 22.4356 2.57559 -0.935952 -1.18844 -65.72 TIMING: 1149600 CPU: 3425.98, 0.00300441/step Wall: 3425.98, 0.00300441/step, 3.21339 hours remaining, 206.910156 MB of memory in use. ENERGY: 1149600 718.5885 2102.4899 1928.8289 118.8648 -205690.2768 17568.2856 0.0000 0.0000 34387.2094 -148866.0098 300.3121 -183253.2191 -148774.7858 300.8225 -73.9400 -39.9187 557584.5021 14.6563 14.6479 PRESSURE: 1149800 -124.356 14.6801 108.009 14.6784 17.6277 -214.27 108.009 -214.272 -113.67 GPRESSURE: 1149800 -83.6647 -67.9866 85.057 87.668 38.1307 -224.512 61.2741 -189.135 -67.5762 PRESSAVG: 1149800 -1.62515 40.067 -10.6655 40.067 -9.30222 13.3712 -10.6655 13.3713 18.6128 GPRESSAVG: 1149800 -1.42183 38.9801 -10.2262 38.2534 -8.24367 11.2454 -12.3499 15.7935 17.1752 TIMING: 1149800 CPU: 3426.59, 0.0030134/step Wall: 3426.59, 0.0030134/step, 3.22283 hours remaining, 206.910156 MB of memory in use. ENERGY: 1149800 760.3026 2155.9165 1930.2262 115.9987 -205846.4371 17432.9739 0.0000 0.0000 34545.3169 -148905.7024 301.6928 -183451.0192 -148811.8509 300.5035 -73.4660 -37.7034 555805.0945 2.5618 2.5032 PRESSURE: 1150000 -34.9821 -8.95053 -55.693 -8.95098 35.6033 -22.0694 -55.6936 -22.0703 -65.7125 GPRESSURE: 1150000 -36.3945 107.602 -66.1886 -90.6762 52.964 -11.5786 6.58826 -29.5381 12.7449 PRESSAVG: 1150000 -26.7315 -13.7888 -18.2659 -13.7888 11.3039 -48.0422 -18.2659 -48.042 47.7401 GPRESSAVG: 1150000 -26.2925 -12.8233 -17.7522 -14.4446 11.5041 -45.798 -17.9745 -49.7415 47.1267 TIMING: 1150000 CPU: 3427.19, 0.00301011/step Wall: 3427.19, 0.00301011/step, 3.21915 hours remaining, 206.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1150000 727.9561 2087.7541 1939.7148 113.8011 -205682.0420 17592.3814 0.0000 0.0000 34217.5277 -149002.9067 298.8302 -183220.4345 -148903.9529 299.9540 -21.6971 9.7715 556980.2166 10.7708 10.7794 PRESSURE: 1150200 237.357 -189.523 114.224 -189.521 20.7458 55.7892 114.223 55.7883 67.2361 GPRESSURE: 1150200 265.355 -94.8998 93.9396 -273.396 52.2117 66.9599 87.9063 28.2315 103.765 PRESSAVG: 1150200 6.77374 -28.6954 32.3563 -28.6953 -15.9489 8.72288 32.3564 8.72271 42.76 GPRESSAVG: 1150200 6.09293 -27.5002 34.9747 -28.7802 -16.5623 8.29134 32.1858 8.59657 44.0182 TIMING: 1150200 CPU: 3427.78, 0.00298733/step Wall: 3427.78, 0.00298733/step, 3.19462 hours remaining, 206.910156 MB of memory in use. ENERGY: 1150200 737.0301 2109.4336 1939.8223 120.3072 -206213.5995 17973.0114 0.0000 0.0000 34415.3742 -148918.6206 300.5580 -183333.9949 -148816.9615 299.9248 108.4464 140.4440 557914.3255 11.1949 11.1829 PRESSURE: 1150400 -49.9515 -36.3024 34.5481 -36.302 41.473 -11.9579 34.5489 -11.9567 -60.7933 GPRESSURE: 1150400 -41.4506 -65.6486 75.9055 -62.2685 70.2052 -11.2023 -6.0969 -83.224 6.94067 PRESSAVG: 1150400 -18.0875 -31.8886 50.9876 -31.8886 -44.1034 -32.7792 50.9874 -32.7792 8.49175 GPRESSAVG: 1150400 -17.7414 -31.1462 48.189 -31.8546 -43.945 -32.8911 51.7387 -30.6111 7.83052 TIMING: 1150400 CPU: 3428.38, 0.00298414/step Wall: 3428.38, 0.00298414/step, 3.19104 hours remaining, 206.910156 MB of memory in use. ENERGY: 1150400 725.0602 2107.4972 1942.6485 130.9398 -205935.2333 17691.3126 0.0000 0.0000 34284.4594 -149053.3155 299.4147 -183337.7749 -148959.0501 299.7723 -23.0906 11.8984 557284.0789 -17.8997 -17.9520 PRESSURE: 1150600 156.634 31.1153 -73.9575 31.1143 135.853 -36.9811 -73.9573 -36.9815 23.3147 GPRESSURE: 1150600 179.697 -6.69081 -154.837 53.1386 222.934 -67.3031 -35.0159 46.0808 16.0881 PRESSAVG: 1150600 26.8564 45.6777 16.5556 45.6776 4.8253 -13.9684 16.5556 -13.9685 -9.21186 GPRESSAVG: 1150600 26.792 44.1057 17.0213 47.2831 4.04318 -13.6696 17.196 -15.4092 -8.31101 TIMING: 1150600 CPU: 3428.97, 0.00296384/step Wall: 3428.97, 0.00296384/step, 3.16917 hours remaining, 206.910156 MB of memory in use. ENERGY: 1150600 720.6817 2111.9177 1911.9488 113.1989 -206313.7342 17873.4767 0.0000 0.0000 34560.3564 -149022.1540 301.8242 -183582.5104 -148917.5033 300.0377 105.2670 139.5728 556419.8961 7.4900 7.5080 PRESSURE: 1150800 138.903 -189.032 159.511 -189.031 -68.3438 -107.458 159.51 -107.459 -56.7936 GPRESSURE: 1150800 149.947 -132.35 134.748 -176.547 -3.0773 -59.1203 106.662 -154.559 -44.466 PRESSAVG: 1150800 56.6523 -7.26324 -1.01545 -7.26326 -44.6544 -2.18543 -1.0155 -2.18539 -44.0857 GPRESSAVG: 1150800 57.209 -4.9639 0.753633 -8.53512 -43.9762 -3.04213 -3.46172 -1.38268 -45.6941 TIMING: 1150800 CPU: 3429.57, 0.00296014/step Wall: 3429.57, 0.00296014/step, 3.16505 hours remaining, 206.910156 MB of memory in use. ENERGY: 1150800 763.9920 2077.0032 1923.0510 108.8377 -205950.0280 17642.4209 0.0000 0.0000 34475.5905 -148959.1328 301.0839 -183434.7233 -148863.9292 300.0338 4.5887 34.1345 557647.6005 -10.6959 -10.8204 PRESSURE: 1151000 159.497 92.1536 -127.705 92.1533 82.8674 55.3543 -127.707 55.3555 214.295 GPRESSURE: 1151000 193.174 52.8333 14.7903 184.699 118.582 69.4465 -202.949 82.2145 252.99 PRESSAVG: 1151000 -14.9253 25.5483 -58.9077 25.5484 5.33183 -1.1252 -58.9077 -1.12517 25.7447 GPRESSAVG: 1151000 -15.4033 23.1647 -60.3404 25.7477 5.22671 -0.136625 -56.4362 -2.27884 25.8301 TIMING: 1151000 CPU: 3430.16, 0.00295106/step Wall: 3430.16, 0.00295106/step, 3.15517 hours remaining, 206.910156 MB of memory in use. ENERGY: 1151000 746.8675 2098.1763 1907.9253 115.3844 -206162.2238 18077.4498 0.0000 0.0000 34343.5607 -148872.8599 299.9309 -183216.4206 -148771.7979 300.6958 152.2196 188.2488 558195.6598 5.3837 5.2179 PRESSURE: 1151200 195.486 16.0644 -38.4684 16.0646 160.432 -162.522 -38.4694 -162.521 72.2321 GPRESSURE: 1151200 269.756 43.8848 -18.1535 14.2439 152.206 -167.771 -105.39 -182.56 123.486 PRESSAVG: 1151200 31.945 25.7337 -23.3335 25.7337 -44.306 2.83654 -23.3337 2.83656 4.57582 GPRESSAVG: 1151200 31.8692 27.2002 -22.1888 25.6976 -45.2171 3.39179 -24.7926 3.42196 4.88642 TIMING: 1151200 CPU: 3430.75, 0.00296823/step Wall: 3430.75, 0.00296823/step, 3.17337 hours remaining, 206.910156 MB of memory in use. ENERGY: 1151200 758.6573 2048.2423 1915.4543 102.0125 -206105.7856 17907.3982 0.0000 0.0000 34494.1748 -148879.8460 301.2462 -183374.0208 -148779.3472 299.8704 142.7167 181.8157 556833.9595 -2.5950 -2.8205 PRESSURE: 1151400 -181.566 63.804 29.2207 63.8039 -108.258 -97.8369 29.2201 -97.837 12.3962 GPRESSURE: 1151400 -102.356 -6.65938 11.7108 181.334 -80.8512 -168.996 71.2905 -74.0321 7.28956 PRESSAVG: 1151400 40.0719 -14.3355 6.08806 -14.3354 0.543158 -21.4476 6.0882 -21.4474 -40.9503 GPRESSAVG: 1151400 38.6119 -16.2294 5.80466 -13.9011 2.05076 -22.5312 4.90189 -22.0844 -41.1861 TIMING: 1151400 CPU: 3431.34, 0.00295182/step Wall: 3431.34, 0.00295182/step, 3.15566 hours remaining, 206.910156 MB of memory in use. ENERGY: 1151400 778.2403 2074.8581 1945.5828 115.8235 -206161.8713 17737.2961 0.0000 0.0000 34533.6632 -148976.4074 301.5911 -183510.0706 -148872.8158 299.6693 -92.4761 -58.6391 555478.1963 -0.1117 -0.1745 PRESSURE: 1151600 -317.102 -198.186 -186.688 -198.186 30.0241 2.70406 -186.688 2.70502 -80.5523 GPRESSURE: 1151600 -318.549 -157.31 -201.964 -261.861 103.972 57.2856 -114.886 21.3958 -53.7149 PRESSAVG: 1151600 29.0751 -14.0013 -20.1941 -14.0013 -1.92546 -17.4141 -20.194 -17.414 -26.5188 GPRESSAVG: 1151600 30.4876 -13.7218 -19.6528 -15.4451 -2.66314 -17.844 -19.8413 -17.8581 -27.0889 TIMING: 1151600 CPU: 3431.93, 0.0029539/step Wall: 3431.93, 0.0029539/step, 3.15772 hours remaining, 206.910156 MB of memory in use. ENERGY: 1151600 731.1860 2046.7074 1931.7160 106.8432 -205721.5408 17483.8424 0.0000 0.0000 34338.9849 -149082.2609 299.8909 -183421.2458 -148988.1218 300.2053 -122.5434 -89.4303 557785.3127 0.2103 0.2452 PRESSURE: 1151800 97.3496 -9.69349 -98.4395 -9.69435 -18.5378 31.2287 -98.4395 31.2299 170.683 GPRESSURE: 1151800 149.248 96.0981 -37.9846 -72.715 -33.1229 54.0598 -73.9127 -23.4756 229.565 PRESSAVG: 1151800 -40.5 -12.2471 -3.90433 -12.2469 29.1465 40.1557 -3.90441 40.1557 2.85214 GPRESSAVG: 1151800 -40.3606 -10.1392 -3.07403 -14.7044 28.7044 39.5885 -3.34422 39.2313 3.20054 TIMING: 1151800 CPU: 3432.53, 0.00297349/step Wall: 3432.53, 0.00297349/step, 3.1785 hours remaining, 206.910156 MB of memory in use. ENERGY: 1151800 725.2639 2102.5233 1963.2189 112.5763 -205969.4404 17823.5563 0.0000 0.0000 34280.5757 -148961.7260 299.3808 -183242.3017 -148869.6991 299.6081 83.1648 115.2302 556872.6809 -2.8338 -2.8186 PRESSURE: 1152000 120.208 133.658 1.28175 133.658 100.9 -49.1043 1.28281 -49.1047 -112.966 GPRESSURE: 1152000 113.967 49.1471 -112.188 189.275 132.757 29.3491 -28.3984 -55.1359 -40.485 PRESSAVG: 1152000 -3.23261 -20.0337 27.694 -20.0337 1.05112 23.2996 27.6939 23.2995 -9.82806 GPRESSAVG: 1152000 -2.9309 -22.381 26.7069 -15.6918 2.35728 24.0583 26.2449 23.0106 -10.7536 TIMING: 1152000 CPU: 3433.12, 0.00298747/step Wall: 3433.12, 0.00298747/step, 3.19327 hours remaining, 206.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1152000 747.4705 2094.8414 1901.4163 110.6066 -205926.5994 17799.0115 0.0000 0.0000 34402.8701 -148870.3829 300.4488 -183273.2531 -148780.2220 299.8779 36.0471 68.7462 557729.2761 -4.0032 -3.7758 PRESSURE: 1152200 127.869 92.7343 -51.3417 92.7324 152.273 61.5985 -51.3415 61.5973 -100.958 GPRESSURE: 1152200 142.569 131.917 -135.527 114.025 148.946 56.1284 2.20413 21.6826 -25.4493 PRESSAVG: 1152200 41.2649 4.10909 -79.7275 4.10903 -51.5662 28.2688 -79.7276 28.2687 -2.9499 GPRESSAVG: 1152200 41.3379 3.22292 -78.7494 5.08126 -52.7094 27.6909 -79.0905 30.2413 -1.47568 TIMING: 1152200 CPU: 3433.72, 0.00297596/step Wall: 3433.72, 0.00297596/step, 3.1808 hours remaining, 206.910156 MB of memory in use. ENERGY: 1152200 754.9473 2035.7634 1940.5374 116.4532 -206046.6526 17933.5890 0.0000 0.0000 34308.1801 -148957.1822 299.6219 -183265.3622 -148861.7651 300.6616 59.7280 88.6887 557395.6299 -4.4170 -4.2824 LDB: ============= START OF LOAD BALANCING ============== 3437.27 LDB: ============== END OF LOAD BALANCING =============== 3437.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3437.27 LDB: ============= START OF LOAD BALANCING ============== 3437.57 LDB: Largest compute 4773 load 0.026194 is 22.2% of average load 0.118110 LDB: Average compute 0.001725 is 1.5% of average load 0.118110 LDB: TIME 3437.57 LOAD: AVG 0.11811 MAX 0.210765 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.191 MB LDB: TIME 3437.57 LOAD: AVG 0.11811 MAX 0.210765 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.266 MB LDB: TIME 3437.57 LOAD: AVG 0.11811 MAX 0.210765 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.266 MB LDB: ============== END OF LOAD BALANCING =============== 3437.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3437.57 PRESSURE: 1152400 -95.0828 65.1265 195.423 65.1267 -54.0191 -73.5883 195.421 -73.5888 -236.644 GPRESSURE: 1152400 -31.902 20.7739 215.779 70.5571 -2.06035 -81.383 90.4596 -75.4824 -238.864 PRESSAVG: 1152400 55.137 -4.67135 39.0016 -4.67137 -4.2645 -24.7726 39.0017 -24.7726 -29.8761 GPRESSAVG: 1152400 53.8363 -2.00761 38.8615 -6.80272 -3.1153 -25.7753 38.8996 -24.2943 -30.3369 TIMING: 1152400 CPU: 3434.32, 0.00302991/step Wall: 3434.32, 0.00302991/step, 3.2383 hours remaining, 207.734375 MB of memory in use. ENERGY: 1152400 719.7594 2145.0117 1906.7924 117.6814 -205858.6576 17519.3051 0.0000 0.0000 34502.9635 -148947.1441 301.3230 -183450.1076 -148855.8413 300.0937 -128.5819 -90.9422 558448.8608 6.9988 6.7947 PRESSURE: 1152600 -56.9164 -69.5784 -30.12 -69.5788 -7.8472 -38.374 -30.1204 -38.3748 -152.45 GPRESSURE: 1152600 -52.6991 -90.4814 -47.807 -28.5118 26.8058 22.6164 0.356865 -137.35 -93.5676 PRESSAVG: 1152600 30.0532 -40.2597 8.92487 -40.2597 19.3851 42.5684 8.92497 42.5685 -53.2779 GPRESSAVG: 1152600 30.6273 -41.6787 6.97743 -38.8856 18.7071 43.318 8.74644 42.2508 -53.7996 TIMING: 1152600 CPU: 3434.92, 0.00295466/step Wall: 3434.92, 0.00295466/step, 3.15771 hours remaining, 207.734375 MB of memory in use. ENERGY: 1152600 737.3077 2077.1149 1919.6651 122.2080 -205926.9475 17751.8684 0.0000 0.0000 34316.0617 -149002.7217 299.6907 -183318.7834 -148912.7392 300.2293 -72.4044 -39.8203 557735.5943 -1.2799 -1.4884 PRESSURE: 1152800 141.662 -49.6697 -1.81192 -49.6697 -305.838 -41.7512 -1.8099 -41.751 -116.374 GPRESSURE: 1152800 184.704 18.9928 -56.2183 -70.0441 -309.782 -106.246 11.1853 -27.386 -46.2273 PRESSAVG: 1152800 -29.2334 -17.7933 -19.0631 -17.7932 -2.7403 12.3766 -19.063 12.3766 -5.76895 GPRESSAVG: 1152800 -30.3779 -18.5773 -17.7632 -18.4778 -3.0199 12.261 -18.2025 12.5908 -3.62889 TIMING: 1152800 CPU: 3435.51, 0.002959/step Wall: 3435.51, 0.002959/step, 3.16218 hours remaining, 207.734375 MB of memory in use. ENERGY: 1152800 769.5538 2012.5536 1933.8906 122.5596 -205848.8985 17789.7891 0.0000 0.0000 34244.8317 -148975.7200 299.0686 -183220.5517 -148879.9671 299.6632 -93.5169 -57.1017 559571.3130 -12.5809 -12.3422 PRESSURE: 1153000 65.8781 -93.7766 -80.1625 -93.7757 -231.962 23.4786 -80.1619 23.478 -360.427 GPRESSURE: 1153000 47.3411 -64.5635 42.858 -12.8085 -169.962 -27.12 -194.704 34.8496 -298.833 PRESSAVG: 1153000 67.3333 -15.216 -45.7714 -15.216 -3.07506 -24.9875 -45.7714 -24.9875 -16.7537 GPRESSAVG: 1153000 68.0238 -15.4445 -44.4509 -14.2666 -3.08239 -26.2724 -44.6923 -23.8316 -17.0367 TIMING: 1153000 CPU: 3436.1, 0.00295193/step Wall: 3436.1, 0.00295193/step, 3.15446 hours remaining, 207.734375 MB of memory in use. ENERGY: 1153000 744.6286 2058.5358 1922.8428 106.6091 -205539.0112 17322.6189 0.0000 0.0000 34428.0057 -148955.7704 300.6683 -183383.7761 -148855.5605 299.5857 -175.5037 -140.4845 558395.2344 15.8349 15.9682 PRESSURE: 1153200 61.4149 130.165 -65.9059 130.165 -58.4666 108.33 -65.9063 108.329 -47.1602 GPRESSURE: 1153200 30.4891 145.875 24.2164 -15.97 6.20092 98.3716 -54.4006 119.048 4.42253 PRESSAVG: 1153200 -10.26 75.0717 27.1148 75.0718 5.91695 -28.405 27.1148 -28.4051 -9.63796 GPRESSAVG: 1153200 -8.93312 76.3989 26.2523 74.0498 5.30047 -25.4244 25.3051 -28.9211 -9.93157 TIMING: 1153200 CPU: 3436.69, 0.00295685/step Wall: 3436.69, 0.00295685/step, 3.15956 hours remaining, 207.734375 MB of memory in use. ENERGY: 1153200 739.3370 2048.5349 1942.4781 113.0795 -205900.7220 17655.0286 0.0000 0.0000 34314.0889 -149088.1749 299.6735 -183402.2639 -148992.8564 299.6203 -14.7373 13.7042 557645.6463 -4.6603 -4.5214 PRESSURE: 1153400 169.494 16.9131 40.256 16.9135 -133.778 18.8116 40.2552 18.8115 -115.921 GPRESSURE: 1153400 242.756 72.7662 -73.283 90.667 -113.59 17.6085 133.8 0.601961 -104.133 PRESSAVG: 1153400 15.5157 51.2367 2.33873 51.2368 22.0969 -25.9265 2.33878 -25.9267 -39.7258 GPRESSAVG: 1153400 16.5425 51.9247 -0.416465 51.6015 21.0386 -26.2355 2.98366 -27.117 -39.3422 TIMING: 1153400 CPU: 3437.28, 0.00297301/step Wall: 3437.28, 0.00297301/step, 3.17666 hours remaining, 207.734375 MB of memory in use. ENERGY: 1153400 730.2450 2055.2650 1920.0828 101.6483 -205830.3945 17711.5462 0.0000 0.0000 34303.1477 -149008.4594 299.5779 -183311.6072 -148909.2504 299.4379 -26.7349 8.3443 558483.8306 -0.7044 -0.5870 PRESSURE: 1153600 128.81 -1.13899 -214.23 -1.14016 332.165 7.41905 -214.231 7.41894 61.7321 GPRESSURE: 1153600 144.093 47.8794 -254.165 27.8307 357.64 -28.3567 -153.682 57.6485 106.835 PRESSAVG: 1153600 -1.65607 -42.5714 -17.8272 -42.5713 42.5152 -16.6395 -17.8272 -16.6395 -50.2817 GPRESSAVG: 1153600 -2.86862 -41.7436 -16.3554 -44.402 44.0185 -15.6605 -17.3042 -16.5325 -50.4742 TIMING: 1153600 CPU: 3437.88, 0.00297005/step Wall: 3437.88, 0.00297005/step, 3.17333 hours remaining, 207.734375 MB of memory in use. ENERGY: 1153600 725.2763 2091.2123 1932.3060 105.6485 -206538.8253 18184.2864 0.0000 0.0000 34527.2368 -148972.8589 301.5349 -183500.0957 -148877.0878 300.8623 174.2356 202.8557 557722.2728 -3.1409 -3.1081 PRESSURE: 1153800 -26.675 -16.1931 -50.9011 -16.1936 -52.9637 -138.321 -50.9018 -138.321 66.3036 GPRESSURE: 1153800 45.5948 39.0148 -49.2275 -75.5176 -63.3478 -170.287 26.4955 -117.723 82.5288 PRESSAVG: 1153800 32.9832 10.4727 -47.9064 10.4727 68.8874 -15.2563 -47.9066 -15.2563 -75.8773 GPRESSAVG: 1153800 32.2401 9.88322 -48.0249 12.327 69.6707 -17.8456 -47.1695 -13.8597 -75.7629 TIMING: 1153800 CPU: 3438.47, 0.00297246/step Wall: 3438.47, 0.00297247/step, 3.17575 hours remaining, 207.734375 MB of memory in use. ENERGY: 1153800 737.6783 2093.6336 1931.5065 114.8585 -206004.9800 17836.0584 0.0000 0.0000 34260.5450 -149030.6998 299.2059 -183291.2448 -148931.5215 300.5907 -4.4450 21.5919 558283.0973 8.6644 8.7160 PRESSURE: 1154000 -5.30173 19.1912 137.709 19.1907 -316.409 -181.762 137.708 -181.761 116.051 GPRESSURE: 1154000 51.9881 68.5198 39.4874 -67.2706 -304.06 -165.597 39.51 -194.737 144.804 PRESSAVG: 1154000 -31.843 51.5385 -14.5145 51.5386 -60.2787 -23.1927 -14.5145 -23.1926 27.5769 GPRESSAVG: 1154000 -30.6844 50.1716 -13.0334 51.4212 -59.711 -23.0628 -18.0995 -23.6361 25.6049 TIMING: 1154000 CPU: 3439.07, 0.00298898/step Wall: 3439.07, 0.00298898/step, 3.19323 hours remaining, 207.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1154000 760.6512 2087.2755 1892.0423 121.9873 -205982.5961 17581.3891 0.0000 0.0000 34556.9047 -148982.3462 301.7940 -183539.2509 -148885.2865 300.3291 -68.5531 -35.7561 557347.9527 -21.5149 -21.5968 PRESSURE: 1154200 -132.659 6.60793 -66.0976 6.60903 -66.2498 5.0233 -66.0979 5.02422 -284.46 GPRESSURE: 1154200 -96.0329 -3.88922 -33.5327 -69.348 -48.195 83.1153 -67.7886 -73.8479 -236.037 PRESSAVG: 1154200 -36.6661 -80.4505 71.746 -80.4506 -24.4728 -6.61577 71.7459 -6.61568 23.322 GPRESSAVG: 1154200 -37.3287 -80.3309 69.628 -81.2552 -25.359 -6.21936 74.6201 -6.83643 24.805 TIMING: 1154200 CPU: 3439.66, 0.00295532/step Wall: 3439.66, 0.00295532/step, 3.1571 hours remaining, 207.734375 MB of memory in use. ENERGY: 1154200 749.8064 2116.9381 1905.3035 121.5520 -205853.3586 17617.7193 0.0000 0.0000 34295.7089 -149046.3305 299.5130 -183342.0394 -148951.1587 300.2069 -161.1229 -126.7551 559074.4677 -12.6056 -12.6276 PRESSURE: 1154400 -106.334 37.555 231.871 37.5555 -71.2332 -81.5733 231.871 -81.5727 219.106 GPRESSURE: 1154400 -55.9844 50.1011 214.89 41.0221 -23.5756 -52.5905 255.82 -26.2991 211.152 PRESSAVG: 1154400 13.2263 -17.8271 46.7822 -17.8271 20.5979 -28.1422 46.7822 -28.1422 0.634554 GPRESSAVG: 1154400 13.451 -18.2657 48.5406 -17.3985 20.5239 -25.4647 45.64 -30.2755 0.393558 TIMING: 1154400 CPU: 3440.26, 0.0029927/step Wall: 3440.26, 0.0029927/step, 3.19687 hours remaining, 207.734375 MB of memory in use. ENERGY: 1154400 734.8535 2068.7635 1919.6284 118.4422 -205954.0912 17741.9502 0.0000 0.0000 34201.7586 -149168.6948 298.6925 -183370.4534 -149071.4178 299.4088 13.8463 43.8641 558062.6262 11.4863 11.4561 PRESSURE: 1154600 -75.98 56.0639 32.2417 56.0642 -77.8457 -11.5628 32.2417 -11.5635 69.1054 GPRESSURE: 1154600 3.31833 71.3039 37.8523 74.0798 -8.96746 41.0887 21.4962 -33.7849 33.4142 PRESSAVG: 1154600 -80.7307 18.3847 106.518 18.3846 49.9075 -28.2473 106.518 -28.2473 -2.53117 GPRESSAVG: 1154600 -81.7509 18.1992 106.614 18.4439 50.3673 -31.2234 105.622 -25.447 -2.15297 TIMING: 1154600 CPU: 3440.86, 0.00298905/step Wall: 3440.86, 0.00298905/step, 3.1928 hours remaining, 207.734375 MB of memory in use. ENERGY: 1154600 766.5287 2142.8294 1920.1548 111.4896 -206197.3874 17759.6989 0.0000 0.0000 34370.5522 -149126.1339 300.1666 -183496.6860 -149033.4312 299.3499 -28.2401 9.2550 557782.4324 -11.1181 -11.1788 PRESSURE: 1154800 -93.8054 52.0821 -27.1108 52.0823 2.26165 -118.968 -27.1096 -118.969 -334.226 GPRESSURE: 1154800 -28.4306 -62.113 -75.9695 8.42749 -28.966 -104.303 55.8592 -109.426 -281.675 PRESSAVG: 1154800 -0.572546 26.3727 6.58927 26.3727 60.502 -18.9298 6.58927 -18.9298 -28.0326 GPRESSAVG: 1154800 0.839836 25.1926 5.48716 26.771 59.6392 -18.0414 7.52794 -19.18 -28.8922 TIMING: 1154800 CPU: 3441.46, 0.00299161/step Wall: 3441.46, 0.00299162/step, 3.19538 hours remaining, 207.734375 MB of memory in use. ENERGY: 1154800 758.6707 2128.2475 1935.9992 111.7427 -206242.9059 17760.5467 0.0000 0.0000 34283.4810 -149264.2181 299.4062 -183547.6991 -149161.0888 299.3264 -141.9231 -113.0238 558509.5239 10.6323 10.5289 PRESSURE: 1155000 314.116 55.0964 -66.4329 55.0972 27.2446 -19.922 -66.4329 -19.9241 -171.976 GPRESSURE: 1155000 304.353 -1.83372 -72.5936 74.7671 53.538 -100.748 -98.9868 -18.4419 -85.9435 PRESSAVG: 1155000 30.2654 -14.4356 3.82385 -14.4357 51.2961 -39.3977 3.82384 -39.3977 -67.4894 GPRESSAVG: 1155000 30.1134 -13.5935 2.17201 -15.6181 50.6408 -42.6049 3.40247 -37.941 -67.4757 TIMING: 1155000 CPU: 3442.05, 0.00298058/step Wall: 3442.05, 0.00298058/step, 3.18342 hours remaining, 207.734375 MB of memory in use. ENERGY: 1155000 747.0566 2039.9744 1907.4356 96.3008 -206103.3834 17893.4967 0.0000 0.0000 34088.5277 -149330.5916 297.7036 -183419.1193 -149236.5641 299.0375 56.4616 90.6493 558081.7418 4.6907 4.4262 PRESSURE: 1155200 272.478 -24.769 188.6 -24.7684 -92.7386 -69.3693 188.601 -69.3685 -33.0491 GPRESSURE: 1155200 278.928 26.0627 223.307 -26.733 -60.7474 -25.3146 218.194 -131.993 11.8763 PRESSAVG: 1155200 96.3335 -21.2297 -8.98591 -21.2297 -29.3215 -44.6878 -8.98598 -44.6878 -57.5826 GPRESSAVG: 1155200 94.6726 -21.146 -8.03737 -21.4812 -29.2999 -41.0433 -9.1202 -47.0229 -56.3886 TIMING: 1155200 CPU: 3442.65, 0.00299889/step Wall: 3442.65, 0.00299889/step, 3.20281 hours remaining, 207.734375 MB of memory in use. ENERGY: 1155200 701.6269 2043.5794 1931.6014 108.0178 -206373.6632 17941.5336 0.0000 0.0000 34289.6379 -149357.6662 299.4599 -183647.3041 -149262.2756 298.6160 48.8968 76.6857 557829.4454 3.1431 2.9947 PRESSURE: 1155400 103.425 21.8307 -182.801 21.832 174.097 -28.3753 -182.8 -28.3765 91.2077 GPRESSURE: 1155400 58.4777 -83.8561 -215.186 -43.4676 226.451 -33.93 -77.3857 -53.1447 163.359 PRESSAVG: 1155400 36.2674 -13.3954 -30.2448 -13.3955 21.8453 -68.211 -30.2449 -68.2109 -9.70753 GPRESSAVG: 1155400 37.1428 -13.388 -29.2127 -12.3753 22.4699 -68.8164 -31.7463 -68.1675 -10.6023 TIMING: 1155400 CPU: 3443.25, 0.00300058/step Wall: 3443.25, 0.00300058/step, 3.20445 hours remaining, 207.734375 MB of memory in use. ENERGY: 1155400 728.6103 2096.6892 1919.2006 105.6989 -206222.4636 17909.8513 0.0000 0.0000 34216.7864 -149245.6269 298.8237 -183462.4133 -149144.0692 298.7195 122.9098 149.4292 557022.3217 16.1350 16.3368 PRESSURE: 1155600 209.822 13.689 38.8491 13.6895 224.29 -105.365 38.8482 -105.367 207.666 GPRESSURE: 1155600 193.289 -22.9326 -36.8512 -21.4963 269.154 -121.247 70.3014 -100.978 258.3 PRESSAVG: 1155600 -74.8925 -38.9999 26.3495 -39 38.4102 -53.9802 26.3496 -53.9802 12.3746 GPRESSAVG: 1155600 -75.3002 -37.2567 25.4819 -40.5242 38.4794 -54.7979 28.7862 -53.6349 12.4436 TIMING: 1155600 CPU: 3443.85, 0.00298094/step Wall: 3443.85, 0.00298094/step, 3.18331 hours remaining, 207.734375 MB of memory in use. ENERGY: 1155600 741.6670 2053.9162 1913.8073 111.5266 -206672.7662 18070.0819 0.0000 0.0000 34312.0685 -149469.6986 299.6558 -183781.7672 -149369.4168 299.1344 213.9260 240.2474 556627.4733 -8.0359 -8.1257 PRESSURE: 1155800 -101.501 60.8658 14.4328 60.8657 -78.3298 -75.3899 14.4341 -75.3894 -115.587 GPRESSURE: 1155800 -73.4716 118.954 -70.7404 23.3662 -81.2162 -65.652 79.3174 -112.353 -51.8783 PRESSAVG: 1155800 -9.65673 35.6208 -64.1909 35.6208 95.6726 -16.4941 -64.191 -16.4942 -42.5182 GPRESSAVG: 1155800 -9.47223 33.3261 -63.8615 38.4672 94.5156 -15.3115 -63.1289 -17.5668 -41.4658 TIMING: 1155800 CPU: 3444.45, 0.0029896/step Wall: 3444.45, 0.0029896/step, 3.1924 hours remaining, 207.734375 MB of memory in use. ENERGY: 1155800 742.3412 2067.8260 1927.9480 118.1417 -206321.5471 17708.6449 0.0000 0.0000 34337.2985 -149419.3470 299.8762 -183756.6455 -149320.5753 299.0075 -98.4724 -68.8554 557728.9099 14.4992 14.5258 PRESSURE: 1156000 -361.798 24.2815 -12.7527 24.2814 115.73 133.029 -12.7524 133.027 -84.4111 GPRESSURE: 1156000 -299.54 118.553 -42.0795 12.9205 130.23 153.074 -15.5744 103.942 -74.6594 PRESSAVG: 1156000 22.4718 6.7387 -8.46682 6.73874 -58.4837 -58.7004 -8.46679 -58.7005 15.3592 GPRESSAVG: 1156000 22.6345 6.19291 -8.00075 6.52753 -59.3999 -57.9617 -10.0963 -58.1237 16.4774 TIMING: 1156000 CPU: 3445.04, 0.00297015/step Wall: 3445.04, 0.00297015/step, 3.17147 hours remaining, 207.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1156000 747.9229 2046.7339 1943.6996 107.9960 -206171.8975 17746.6703 0.0000 0.0000 34269.3022 -149309.5726 299.2823 -183578.8748 -149220.4940 299.8910 -110.1597 -81.3230 557778.5232 -6.8842 -6.7627 PRESSURE: 1156200 -247.323 94.1377 -134.93 94.1371 -253.664 31.7149 -134.931 31.714 -201.367 GPRESSURE: 1156200 -216.366 156.396 -126.61 -36.602 -201.742 116.591 -80.9199 -22.3641 -189.401 PRESSAVG: 1156200 39.3544 -57.3428 -42.5001 -57.3429 21.4033 -20.9223 -42.5001 -20.9223 -30.6311 GPRESSAVG: 1156200 39.5715 -54.9771 -43.6552 -60.3788 22.0636 -20.431 -41.9107 -21.9989 -31.3534 TIMING: 1156200 CPU: 3445.63, 0.00294202/step Wall: 3445.63, 0.00294202/step, 3.14127 hours remaining, 207.734375 MB of memory in use. ENERGY: 1156200 747.3788 2116.6269 1933.5631 105.4518 -205976.1032 17449.7965 0.0000 0.0000 34214.0696 -149409.2166 298.8000 -183623.2862 -149308.8462 299.6914 -234.1181 -202.5031 557442.2391 10.0422 10.0939 LDB: ============= START OF LOAD BALANCING ============== 3449.18 LDB: ============== END OF LOAD BALANCING =============== 3449.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3449.18 LDB: ============= START OF LOAD BALANCING ============== 3449.48 LDB: Largest compute 4773 load 0.026701 is 22.6% of average load 0.118168 LDB: Average compute 0.001723 is 1.5% of average load 0.118168 LDB: TIME 3449.48 LOAD: AVG 0.118168 MAX 0.211621 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.992 MB LDB: TIME 3449.48 LOAD: AVG 0.118168 MAX 0.211621 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.031 MB LDB: TIME 3449.48 LOAD: AVG 0.118168 MAX 0.211621 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.031 MB LDB: ============== END OF LOAD BALANCING =============== 3449.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3449.49 PRESSURE: 1156400 -158.257 61.5929 -107.421 61.5932 -218.25 72.4374 -107.421 72.4369 12.6067 GPRESSURE: 1156400 -93.0284 12.804 2.2315 43.8595 -165.756 86.2219 -186.679 70.3556 4.75205 PRESSAVG: 1156400 8.19913 10.8536 -47.057 10.8537 29.8428 -10.9642 -47.057 -10.9642 -65.7912 GPRESSAVG: 1156400 8.6971 9.61751 -45.757 14.5559 31.2582 -12.7911 -47.8519 -9.04042 -67.4461 TIMING: 1156400 CPU: 3446.24, 0.00306183/step Wall: 3446.24, 0.00306182/step, 3.26901 hours remaining, 208.050781 MB of memory in use. ENERGY: 1156400 747.0770 2113.4067 1951.8177 116.8821 -206474.9267 17798.1275 0.0000 0.0000 34322.1377 -149425.4778 299.7438 -183747.6155 -149327.9536 299.4315 -121.3000 -84.6773 557023.6696 -9.2498 -9.1636 PRESSURE: 1156600 154.634 -85.5557 -69.9272 -85.5567 -64.3195 234.504 -69.928 234.504 -83.0118 GPRESSURE: 1156600 160.311 -113.978 -0.35307 -37.1911 -23.5558 193.309 -85.9013 283.563 -33.8705 PRESSAVG: 1156600 -32.2929 -0.489706 -33.13 -0.489709 -5.46536 30.3413 -33.1299 30.3413 55.9735 GPRESSAVG: 1156600 -33.1919 -0.707174 -32.0225 -2.40934 -5.43482 26.4655 -33.1631 32.0016 56.8896 TIMING: 1156600 CPU: 3446.84, 0.00298106/step Wall: 3446.84, 0.00298106/step, 3.18262 hours remaining, 208.050781 MB of memory in use. ENERGY: 1156600 733.5027 2060.0596 1943.4785 103.6987 -206008.2827 17681.9872 0.0000 0.0000 34132.7090 -149352.8469 298.0894 -183485.5560 -149253.2212 299.1773 2.4342 34.2950 556652.8013 6.0718 6.0876 PRESSURE: 1156800 -13.7637 161.685 74.7946 161.685 75.7901 147.831 74.795 147.831 42.494 GPRESSURE: 1156800 38.0036 169.716 58.7171 90.1614 89.9871 64.7313 96.3895 242.093 70.0138 PRESSAVG: 1156800 -39.2642 0.0471139 -59.5569 0.0472247 52.8782 30.412 -59.5568 30.412 -12.7323 GPRESSAVG: 1156800 -38.7512 -1.28135 -60.8546 1.01072 52.0562 34.1338 -59.5664 28.1481 -12.613 TIMING: 1156800 CPU: 3447.44, 0.00300496/step Wall: 3447.44, 0.00300496/step, 3.20796 hours remaining, 208.050781 MB of memory in use. ENERGY: 1156800 752.0092 2092.1706 1921.8881 102.3865 -206304.8240 17803.6566 0.0000 0.0000 34352.0487 -149280.6643 300.0050 -183632.7130 -149185.9443 299.1505 34.8401 66.0015 556464.9642 0.2939 0.2306 PRESSURE: 1157000 -90.1202 162.441 -84.991 162.442 -218.783 -102.195 -84.9913 -102.195 100.789 GPRESSURE: 1157000 -15.0387 47.9908 -70.0955 143.269 -191.248 -49.2512 -13.0124 -67.8144 84.9511 PRESSAVG: 1157000 7.63842 40.049 -9.21518 40.049 13.6214 53.1628 -9.21518 53.1628 -21.4621 GPRESSAVG: 1157000 8.22355 40.7307 -9.66579 40.9243 12.6291 52.8231 -8.39605 52.4408 -21.1475 TIMING: 1157000 CPU: 3448.04, 0.00300499/step Wall: 3448.04, 0.00300499/step, 3.20782 hours remaining, 208.050781 MB of memory in use. ENERGY: 1157000 785.8613 2062.4806 1936.6546 109.3378 -206010.2702 17700.9658 0.0000 0.0000 34177.2240 -149237.7460 298.4782 -183414.9701 -149134.1444 298.9593 -69.3715 -40.4452 559044.8341 -0.0674 -0.0983 PRESSURE: 1157200 312.917 171.691 50.5414 171.69 95.266 53.7217 50.5405 53.7204 -194.642 GPRESSURE: 1157200 349.883 116.571 -47.962 136.393 90.6412 162.451 96.7038 38.5935 -132.577 PRESSAVG: 1157200 25.277 0.764827 51.3434 0.764791 -12.601 66.8432 51.3433 66.8432 1.22439 GPRESSAVG: 1157200 23.8848 -0.638501 52.9733 1.39908 -11.0792 65.9655 49.4562 68.9704 1.15868 TIMING: 1157200 CPU: 3448.64, 0.0030102/step Wall: 3448.64, 0.0030102/step, 3.21322 hours remaining, 208.050781 MB of memory in use. ENERGY: 1157200 750.2015 2099.6416 1906.4364 112.6144 -206586.9119 18063.6464 0.0000 0.0000 34296.9214 -149357.4502 299.5235 -183654.3716 -149263.9127 299.4912 71.1803 102.6489 558316.4907 4.6334 4.6548 PRESSURE: 1157400 -80.8254 85.647 -6.93897 85.6467 -189.51 15.7967 -6.93962 15.7986 154.397 GPRESSURE: 1157400 -41.9242 52.8161 -19.8602 135.766 -181.994 18.8175 55.3774 32.2832 198.568 PRESSAVG: 1157400 82.5631 -3.43039 -26.3103 -3.43029 -42.8287 30.1648 -26.3102 30.1647 -55.0386 GPRESSAVG: 1157400 82.8821 -3.26091 -27.4306 -4.65114 -43.3529 32.8654 -26.5782 27.0356 -54.5068 TIMING: 1157400 CPU: 3449.24, 0.00300625/step Wall: 3449.24, 0.00300625/step, 3.20883 hours remaining, 208.050781 MB of memory in use. ENERGY: 1157400 708.9921 2074.2229 1919.1495 122.8803 -206105.7165 17569.9552 0.0000 0.0000 34238.0590 -149472.4575 299.0095 -183710.5166 -149375.6159 299.2097 -38.6464 -8.4502 555699.5967 -5.1014 -4.9925 PRESSURE: 1157600 -88.1902 -141.447 -49.7201 -141.446 -235.574 -231.807 -49.722 -231.806 -68.0388 GPRESSURE: 1157600 -105.93 -93.7203 -96.0336 -92.8369 -169.134 -134.368 -30.2522 -326.058 -11.9366 PRESSAVG: 1157600 74.5738 -23.3453 39.8984 -23.3453 -8.54049 -27.1029 39.8984 -27.1029 -22.1759 GPRESSAVG: 1157600 74.5448 -24.0497 38.6855 -24.2827 -8.02524 -28.5349 41.2538 -25.6592 -22.9757 TIMING: 1157600 CPU: 3449.84, 0.00299698/step Wall: 3449.84, 0.00299698/step, 3.19877 hours remaining, 208.050781 MB of memory in use. ENERGY: 1157600 781.7330 2125.7254 1916.1252 132.5024 -205837.8603 17477.4678 0.0000 0.0000 34101.6342 -149302.6721 297.8181 -183404.3063 -149206.0764 299.8316 -130.6009 -95.6671 556169.8009 14.6191 14.5146 PRESSURE: 1157800 77.6754 98.4726 -106.92 98.4725 -99.0735 66.5899 -106.92 66.5886 134.721 GPRESSURE: 1157800 117.699 115.283 -45.1782 88.9303 -79.9767 62.4687 -133.457 37.786 172.085 PRESSAVG: 1157800 62.0311 -13.0131 -29.3966 -13.0131 -58.0258 33.6037 -29.3966 33.6035 37.6247 GPRESSAVG: 1157800 61.1691 -10.4611 -27.4816 -12.3556 -58.1424 32.8187 -31.9264 34.5218 38.4635 TIMING: 1157800 CPU: 3450.44, 0.00298565/step Wall: 3450.44, 0.00298565/step, 3.18651 hours remaining, 208.050781 MB of memory in use. ENERGY: 1157800 716.4777 2076.7086 1941.0490 117.5716 -206275.7140 17701.4479 0.0000 0.0000 34462.4767 -149259.9825 300.9694 -183722.4593 -149172.3907 300.2945 37.7742 69.9357 555068.6634 13.8767 13.8301 PRESSURE: 1158000 2.51479 -8.04597 -184.705 -8.04658 -226.298 -36.6911 -184.705 -36.6903 -209.33 GPRESSURE: 1158000 28.8537 -3.54819 -231.721 26.6217 -143.058 -67.1567 -97.9854 -20.9813 -225.547 PRESSAVG: 1158000 69.5168 2.13263 29.2936 2.13259 -58.5873 -6.2281 29.2936 -6.22795 -14.0875 GPRESSAVG: 1158000 70.775 -0.23958 28.7703 3.83344 -58.9485 -4.00223 31.2281 -6.61839 -14.581 TIMING: 1158000 CPU: 3451.03, 0.00297935/step Wall: 3451.03, 0.00297935/step, 3.17963 hours remaining, 208.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1158000 730.5749 2117.5517 1970.3284 119.4845 -205635.9297 17395.5436 0.0000 0.0000 34116.9659 -149185.4805 297.9519 -183302.4464 -149098.1218 299.1890 -144.3713 -113.2505 556995.8345 -1.0527 -0.9182 PRESSURE: 1158200 -15.7139 -34.1341 -0.855087 -34.1336 112.805 -1.825 -0.85637 -1.82405 40.3267 GPRESSURE: 1158200 22.8383 24.7136 28.6931 -51.9758 149.493 -92.4614 42.976 -22.5571 69.021 PRESSAVG: 1158200 47.9079 -17.8523 33.3794 -17.8523 -46.4862 -11.7859 33.3795 -11.7858 -10.0289 GPRESSAVG: 1158200 47.4931 -17.9753 31.8598 -17.9778 -47.7243 -15.0001 34.5921 -12.4741 -8.575 TIMING: 1158200 CPU: 3451.63, 0.00296389/step Wall: 3451.63, 0.00296389/step, 3.16297 hours remaining, 208.050781 MB of memory in use. ENERGY: 1158200 729.5190 2179.7065 1898.3078 106.8576 -206022.8433 17751.8079 0.0000 0.0000 34339.4054 -149017.2391 299.8946 -183356.6446 -148918.7468 299.2104 45.8060 80.4506 556889.3291 -2.8691 -2.9354 PRESSURE: 1158400 -68.7873 39.6195 94.7459 39.6188 -176.597 3.33446 94.747 3.33373 14.1479 GPRESSURE: 1158400 19.0173 53.9275 108.366 -50.6998 -183.3 101.637 140.47 -36.1476 35.0779 PRESSAVG: 1158400 25.02 8.43595 -28.6782 8.43593 -34.4121 46.9351 -28.6783 46.9352 66.7161 GPRESSAVG: 1158400 24.8239 9.60783 -25.7926 6.49566 -33.7851 47.1933 -29.8858 47.7567 66.3457 TIMING: 1158400 CPU: 3452.22, 0.00298484/step Wall: 3452.22, 0.00298484/step, 3.18516 hours remaining, 208.050781 MB of memory in use. ENERGY: 1158400 760.2529 2055.5021 1913.4333 126.7048 -205893.1335 17574.8351 0.0000 0.0000 34388.8121 -149073.5932 300.3260 -183462.4053 -148975.9403 300.2398 -77.0787 -43.0683 556769.5120 19.1080 19.1281 PRESSURE: 1158600 169.341 -56.2386 180.809 -56.2388 -69.2717 107.192 180.808 107.19 -15.0159 GPRESSURE: 1158600 89.1377 50.3297 214.866 -82.7175 -14.4616 147.177 168.016 126.011 93.2661 PRESSAVG: 1158600 37.2591 -20.1349 6.41297 -20.1348 -66.6765 19.1782 6.41288 19.178 12.1322 GPRESSAVG: 1158600 38.2795 -18.8784 2.80988 -18.9777 -67.5054 20.6418 7.15146 18.698 11.7621 TIMING: 1158600 CPU: 3452.82, 0.00299747/step Wall: 3452.82, 0.00299747/step, 3.19847 hours remaining, 208.050781 MB of memory in use. ENERGY: 1158600 756.2735 2036.9718 1909.9748 100.4661 -206226.4441 17955.3369 0.0000 0.0000 34445.1321 -149022.2889 300.8179 -183467.4210 -148924.3563 300.0947 28.3511 55.9807 556999.6506 -5.7617 -5.8213 PRESSURE: 1158800 73.5828 -52.9896 -23.6558 -52.9899 -55.6095 46.7989 -23.6554 46.7983 -230.142 GPRESSURE: 1158800 1.18656 50.9775 -34.6013 -153.952 29.0121 2.28338 -2.06072 -9.88699 -166.542 PRESSAVG: 1158800 5.76206 -24.2772 0.0561444 -24.2772 -2.19327 29.2458 0.0561135 29.2458 -12.4611 GPRESSAVG: 1158800 5.28834 -24.3912 2.93627 -25.0424 -1.85564 29.8681 -1.76778 28.2531 -12.403 TIMING: 1158800 CPU: 3453.43, 0.00300936/step Wall: 3453.43, 0.00300936/step, 3.21099 hours remaining, 208.050781 MB of memory in use. ENERGY: 1158800 746.1591 2117.0110 1915.3306 121.8048 -205892.6922 17641.0978 0.0000 0.0000 34366.5817 -148984.7071 300.1319 -183351.2888 -148886.9291 299.9759 -70.7231 -45.4478 557816.8232 -2.9641 -2.9901 PRESSURE: 1159000 -49.9252 19.2811 -46.617 19.2815 -11.0119 -96.4529 -46.6154 -96.453 -71.2121 GPRESSURE: 1159000 -29.1262 58.1385 -160.04 -8.92553 21.5662 -97.5972 -4.33717 -25.1825 -27.0681 PRESSAVG: 1159000 -60.8685 -13.3563 -23.2012 -13.3563 -11.7499 6.16943 -23.2013 6.16942 78.23 GPRESSAVG: 1159000 -61.6576 -14.2461 -25.0117 -13.1153 -11.7561 5.95886 -23.7361 8.3855 78.5896 TIMING: 1159000 CPU: 3454.03, 0.00302885/step Wall: 3454.03, 0.00302885/step, 3.23162 hours remaining, 208.050781 MB of memory in use. ENERGY: 1159000 727.4684 2078.1100 1906.4969 120.9946 -206048.2055 17886.3138 0.0000 0.0000 34378.5114 -148950.3104 300.2361 -183328.8218 -148853.4540 299.6820 -44.0497 -11.5427 557646.7934 1.8705 1.7253 PRESSURE: 1159200 -14.5437 -105.367 -63.9622 -105.365 130.198 53.9341 -63.9623 53.9343 167.529 GPRESSURE: 1159200 36.8521 -174.887 -51.4148 -30.1723 119.137 55.5305 17.9592 21.2175 229.498 PRESSAVG: 1159200 34.9009 -59.3322 -44.1854 -59.3322 -29.0481 -9.72418 -44.1853 -9.72416 10.0705 GPRESSAVG: 1159200 34.5998 -57.3931 -43.5437 -58.1835 -28.2545 -12.4821 -40.2871 -9.5826 9.90523 TIMING: 1159200 CPU: 3454.63, 0.00301607/step Wall: 3454.63, 0.00301607/step, 3.21781 hours remaining, 208.050781 MB of memory in use. ENERGY: 1159200 735.8185 2036.2285 1923.0767 111.1818 -205767.1883 17756.1663 0.0000 0.0000 34251.1030 -148953.6135 299.1234 -183204.7165 -148860.1619 299.5193 94.3943 128.4957 557430.9736 5.3077 5.4168 PRESSURE: 1159400 188.789 102.36 34.8799 102.359 120.592 40.6506 34.8798 40.6514 245.908 GPRESSURE: 1159400 203.195 44.2108 44.5133 122.373 190.39 104.093 78.7212 -17.348 256.353 PRESSAVG: 1159400 -19.5981 -5.1844 -10.8166 -5.18436 -31.4044 32.3201 -10.8166 32.32 17.5783 GPRESSAVG: 1159400 -19.081 -5.60705 -11.2287 -5.72952 -32.0809 34.608 -13.5285 32.6514 17.5292 TIMING: 1159400 CPU: 3455.24, 0.0030009/step Wall: 3455.24, 0.0030009/step, 3.20146 hours remaining, 208.050781 MB of memory in use. ENERGY: 1159400 757.9940 2111.0448 1915.5075 101.9868 -206280.3420 18003.1961 0.0000 0.0000 34372.0874 -149018.5253 300.1800 -183390.6127 -148926.1519 299.7943 185.0963 216.6458 556318.1702 -11.1414 -11.2109 PRESSURE: 1159600 130.271 -62.6733 164.766 -62.6725 -264.051 42.9258 164.766 42.9268 222.509 GPRESSURE: 1159600 143.166 -72.1528 205.048 -19.2717 -223.233 59.2335 55.0027 77.9223 256.321 PRESSAVG: 1159600 21.0222 39.455 18.7864 39.4549 -55.2573 -39.3848 18.7864 -39.3848 84.7471 GPRESSAVG: 1159600 20.8615 37.7667 17.4968 40.1773 -54.9016 -37.5641 18.3598 -40.5757 85.1636 TIMING: 1159600 CPU: 3455.83, 0.00299386/step Wall: 3455.83, 0.00299386/step, 3.19378 hours remaining, 208.050781 MB of memory in use. ENERGY: 1159600 747.3263 2089.6415 1947.7900 115.1686 -206145.9809 17805.4354 0.0000 0.0000 34425.4258 -149015.1934 300.6458 -183440.6192 -148919.9436 300.3566 29.5765 58.7512 557619.2884 16.8373 17.0412 PRESSURE: 1159800 -28.2886 167.282 21.1203 167.283 281.251 128.538 21.1196 128.537 126.722 GPRESSURE: 1159800 5.50893 92.9119 19.1847 210.498 328.109 154.166 64.6186 108.727 145.387 PRESSAVG: 1159800 -2.01842 41.8662 -23.2813 41.8662 -48.812 85.1757 -23.2812 85.1755 56.2988 GPRESSAVG: 1159800 -1.17692 42.5626 -21.205 41.3459 -48.7642 85.1523 -22.471 86.299 55.0175 TIMING: 1159800 CPU: 3456.43, 0.00298586/step Wall: 3456.43, 0.00298586/step, 3.18509 hours remaining, 208.050781 MB of memory in use. ENERGY: 1159800 729.0644 2121.6912 1959.3756 117.4474 -206257.4539 17985.4959 0.0000 0.0000 34167.0103 -149177.3692 298.3890 -183344.3795 -149082.3488 299.2766 126.5615 159.6682 557627.7654 1.8228 1.6921 PRESSURE: 1160000 -68.2495 144.732 42.9037 144.733 -81.6059 39.598 42.904 39.5983 57.4621 GPRESSURE: 1160000 -27.3473 73.9241 71.6053 195.652 -117.904 166.739 107.51 2.41162 153.716 PRESSAVG: 1160000 -96.4099 20.899 83.9567 20.8991 25.8315 8.00077 83.9567 8.00067 46.926 GPRESSAVG: 1160000 -97.6752 22.5553 83.819 20.4855 24.7392 8.66677 84.6664 6.46488 49.4342 TIMING: 1160000 CPU: 3457.03, 0.00297236/step Wall: 3457.03, 0.00297236/step, 3.17052 hours remaining, 208.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1160000 736.6517 2072.0136 1933.4223 109.1341 -206194.6120 17760.1787 0.0000 0.0000 34330.0211 -149253.1905 299.8126 -183583.2116 -149155.2531 299.8624 -30.7978 2.8214 558344.8919 -7.8841 -7.8339 PRESSURE: 1160200 -24.9834 -10.2783 71.5649 -10.2785 144.992 116.339 71.5648 116.34 -1.61664 GPRESSURE: 1160200 -48.8826 30.9384 84.147 21.6459 216.563 92.9116 -15.2352 66.1143 54.6424 PRESSAVG: 1160200 -22.4863 26.3654 19.7292 26.3655 -18.607 -2.57365 19.7294 -2.57361 26.454 GPRESSAVG: 1160200 -23.4729 23.8 20.1228 26.6047 -17.6144 -1.7958 20.6719 -2.3708 25.9078 TIMING: 1160200 CPU: 3457.62, 0.00295252/step Wall: 3457.62, 0.00295252/step, 3.14919 hours remaining, 208.050781 MB of memory in use. ENERGY: 1160200 751.1279 2123.5057 1962.7778 113.3640 -206232.3992 17866.2518 0.0000 0.0000 34217.2912 -149198.0807 298.8281 -183415.3719 -149111.5112 299.1369 39.4639 74.1078 558176.0401 -4.8798 -5.0598 LDB: ============= START OF LOAD BALANCING ============== 3461.16 LDB: ============== END OF LOAD BALANCING =============== 3461.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3461.17 LDB: ============= START OF LOAD BALANCING ============== 3461.46 LDB: Largest compute 4773 load 0.027705 is 23.4% of average load 0.118208 LDB: Average compute 0.001727 is 1.5% of average load 0.118208 LDB: TIME 3461.47 LOAD: AVG 0.118208 MAX 0.206991 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.508 MB LDB: TIME 3461.47 LOAD: AVG 0.118208 MAX 0.206991 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: TIME 3461.47 LOAD: AVG 0.118208 MAX 0.206991 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3461.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3461.47 PRESSURE: 1160400 123.381 -83.8233 -52.0317 -83.8243 219.006 -90.5347 -52.0318 -90.5344 125.218 GPRESSURE: 1160400 185.459 -161.477 -127.584 -146.009 232.231 -87.4962 -81.2545 -85.8258 153.69 PRESSAVG: 1160400 -22.3491 14.0895 18.5455 14.0894 65.7136 -14.1742 18.5456 -14.1742 -64.1721 GPRESSAVG: 1160400 -21.0652 15.9114 15.8414 11.7064 65.8846 -16.0454 18.0577 -13.5089 -65.4809 TIMING: 1160400 CPU: 3458.22, 0.0030295/step Wall: 3458.22, 0.0030295/step, 3.23113 hours remaining, 207.019531 MB of memory in use. ENERGY: 1160400 745.7210 2100.9350 1910.6219 114.8241 -206464.5580 18040.0298 0.0000 0.0000 34284.0816 -149268.3445 299.4114 -183552.4261 -149173.5195 299.3035 155.8684 190.4600 556701.0550 -6.9359 -6.8872 PRESSURE: 1160600 -14.5181 -196.901 125.393 -196.901 -201.374 -176.639 125.393 -176.638 196.859 GPRESSURE: 1160600 -8.03053 -148.141 135.11 -156.626 -185.654 -126.738 140.91 -118.494 262.773 PRESSAVG: 1160600 8.76407 -55.6231 -12.6582 -55.6231 16.184 -55.0953 -12.6582 -55.0951 27.0915 GPRESSAVG: 1160600 9.49699 -56.4043 -12.2006 -54.2436 14.495 -55.0247 -12.6178 -54.3402 27.9483 TIMING: 1160600 CPU: 3458.81, 0.00295542/step Wall: 3458.81, 0.00295542/step, 3.15195 hours remaining, 207.019531 MB of memory in use. ENERGY: 1160600 733.5788 2125.9892 1923.9024 125.7528 -206537.1690 18037.0360 0.0000 0.0000 34226.7452 -149364.1646 298.9107 -183590.9098 -149263.2406 299.1345 -6.3443 23.0296 558908.7451 17.3465 17.3134 PRESSURE: 1160800 -229.142 74.3244 117.535 74.3232 -244.964 11.4913 117.535 11.4908 -166.742 GPRESSURE: 1160800 -191.621 175.066 126.965 57.6725 -190.26 33.2736 150.354 71.8293 -155.924 PRESSAVG: 1160800 -11.4876 9.07275 -33.8727 9.07266 42.623 49.0811 -33.8727 49.0811 -10.6334 GPRESSAVG: 1160800 -12.5024 10.6507 -31.7191 9.12823 43.3483 48.761 -34.3328 47.8641 -10.2175 TIMING: 1160800 CPU: 3459.4, 0.0029487/step Wall: 3459.4, 0.0029487/step, 3.14463 hours remaining, 207.019531 MB of memory in use. ENERGY: 1160800 752.3030 2089.7704 1924.1013 108.0075 -206086.1809 17394.4623 0.0000 0.0000 34575.1628 -149242.3735 301.9535 -183817.5363 -149144.6880 300.0102 -213.6162 -179.2687 557919.5722 6.8340 6.8761 PRESSURE: 1161000 -119.884 -101.834 -98.6107 -101.834 54.7693 104.956 -98.6115 104.956 -247.312 GPRESSURE: 1161000 -106.65 -141.638 -62.6646 -33.9312 156.016 98.6665 -48.0643 183.916 -259.743 PRESSAVG: 1161000 -41.8092 -6.26059 -5.7143 -6.26056 45.3939 16.8279 -5.71428 16.8279 -58.0916 GPRESSAVG: 1161000 -42.2849 -8.63789 -6.25938 -5.40084 45.0911 17.5073 -5.91786 16.9231 -57.294 TIMING: 1161000 CPU: 3459.99, 0.00294659/step Wall: 3459.99, 0.00294659/step, 3.14221 hours remaining, 207.019531 MB of memory in use. ENERGY: 1161000 723.0256 2116.6917 1900.8946 126.1379 -205982.1652 17657.7911 0.0000 0.0000 34297.2523 -149160.3720 299.5264 -183457.6243 -149054.9559 299.9320 -104.1422 -70.1255 557992.8841 -18.1689 -18.1626 PRESSURE: 1161200 -35.0404 10.9498 30.3596 10.9496 -45.105 137.797 30.3599 137.797 -45.5841 GPRESSURE: 1161200 -46.8731 119.004 10.9606 -31.5494 -41.1764 142.522 66.8709 120.24 45.9874 PRESSAVG: 1161200 -11.8007 -20.373 -37.9965 -20.373 -7.37511 8.34287 -37.9964 8.34274 53.8148 GPRESSAVG: 1161200 -12.1295 -18.6003 -38.0442 -20.0353 -6.63366 7.21308 -35.8019 8.55914 52.8634 TIMING: 1161200 CPU: 3460.58, 0.00296066/step Wall: 3460.58, 0.00296066/step, 3.15706 hours remaining, 207.019531 MB of memory in use. ENERGY: 1161200 722.7572 2148.7587 1923.7154 124.7183 -206303.0756 17891.0657 0.0000 0.0000 34313.9960 -149178.0642 299.6727 -183492.0602 -149087.9115 300.1145 -41.9098 -14.0207 557444.1000 11.5463 11.3667 PRESSURE: 1161400 41.7821 -77.3367 33.8323 -77.3373 -70.7466 -172.476 33.8316 -172.477 -170.457 GPRESSURE: 1161400 45.2715 -121.314 87.8453 -69.7759 -38.1374 -228.588 58.5908 -107.814 -126.677 PRESSAVG: 1161400 0.837323 13.1615 -1.97567 13.1616 1.48071 -24.9814 -1.97565 -24.9814 26.5523 GPRESSAVG: 1161400 0.461237 12.3379 -2.71214 13.0794 1.51114 -24.9867 -3.38087 -24.7508 26.6282 TIMING: 1161400 CPU: 3461.18, 0.00295534/step Wall: 3461.18, 0.00295534/step, 3.15121 hours remaining, 207.019531 MB of memory in use. ENERGY: 1161400 772.9889 2102.9899 1930.5536 117.1451 -206046.3378 17671.0996 0.0000 0.0000 34394.5976 -149056.9631 300.3766 -183451.5608 -148966.5328 299.8728 -66.4740 -39.8477 558102.5998 9.6234 9.5335 PRESSURE: 1161600 -92.5448 141.038 71.4904 141.039 -51.3317 -37.5734 71.4905 -37.5757 -94.4755 GPRESSURE: 1161600 -114.431 80.1645 -16.8989 137.006 32.2598 16.3317 76.0028 -82.5533 -53.0291 PRESSAVG: 1161600 -31.176 43.441 25.4744 43.441 3.80409 1.11225 25.4743 1.11228 -8.48849 GPRESSAVG: 1161600 -30.592 43.7549 26.8055 43.2176 3.6893 1.55945 25.4528 0.521316 -9.39504 TIMING: 1161600 CPU: 3461.77, 0.0029512/step Wall: 3461.77, 0.0029512/step, 3.14663 hours remaining, 207.019531 MB of memory in use. ENERGY: 1161600 745.9492 2107.3554 1917.2061 107.2796 -206015.9508 17749.1101 0.0000 0.0000 34488.6958 -148900.3546 301.1984 -183389.0503 -148803.9656 300.6281 -79.4506 -45.0668 557579.2792 -11.9535 -12.0993 PRESSURE: 1161800 -146.041 135.817 15.6272 135.818 -106.902 -54.8554 15.6281 -54.8552 -156.525 GPRESSURE: 1161800 -134.03 110.063 5.88644 144.7 -54.6156 -39.9545 -1.9568 -93.9205 -126.585 PRESSAVG: 1161800 48.6839 58.2187 37.4018 58.2187 62.0004 -25.9183 37.4018 -25.9183 -45.4436 GPRESSAVG: 1161800 49.2841 56.6898 38.0752 60.5441 61.4368 -24.9117 36.157 -25.5358 -45.2917 TIMING: 1161800 CPU: 3462.36, 0.00295332/step Wall: 3462.36, 0.00295331/step, 3.14873 hours remaining, 207.019531 MB of memory in use. ENERGY: 1161800 776.1201 2067.0112 1927.3971 110.3366 -206040.4462 17655.7005 0.0000 0.0000 34582.5211 -148921.3596 302.0178 -183503.8806 -148822.3084 300.6459 -136.4894 -105.0770 556823.1323 21.7469 21.8097 PRESSURE: 1162000 -105.679 223.804 -81.6397 223.804 -65.412 11.5379 -81.6395 11.5379 -274.339 GPRESSURE: 1162000 -97.3482 227.658 -88.3564 264.827 -6.19811 -20.3416 -50.6286 35.8566 -243.537 PRESSAVG: 1162000 17.9526 77.5506 16.8948 77.5506 49.6885 -7.97757 16.8949 -7.97755 -121.045 GPRESSAVG: 1162000 17.7293 77.4227 13.7826 77.0262 49.5006 -9.29138 18.7554 -7.76951 -121.334 TIMING: 1162000 CPU: 3462.95, 0.00297701/step Wall: 3462.95, 0.00297701/step, 3.17382 hours remaining, 207.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1162000 751.7213 2103.0242 1918.3687 111.5109 -205311.4054 17248.7638 0.0000 0.0000 34272.8100 -148905.2067 299.3130 -183178.0167 -148806.7588 300.3285 -148.4764 -115.6946 558571.5869 -17.8013 -18.0348 PRESSURE: 1162200 -442.798 38.6469 20.328 38.6476 -193.193 -63.8063 20.3286 -63.8052 -305.097 GPRESSURE: 1162200 -417.084 37.3135 -5.28833 77.0531 -120.482 -89.8066 50.6438 -49.4154 -314.372 PRESSAVG: 1162200 -11.5867 32.5671 -43.9205 32.5671 21.5146 2.51933 -43.9204 2.51947 -35.4523 GPRESSAVG: 1162200 -12.3989 34.3256 -39.2611 30.3638 21.4721 2.73876 -46.1377 4.03508 -34.7108 TIMING: 1162200 CPU: 3463.55, 0.00299591/step Wall: 3463.55, 0.00299591/step, 3.19381 hours remaining, 207.019531 MB of memory in use. ENERGY: 1162200 763.1300 2075.0914 1930.4347 128.0256 -205520.1673 17285.0558 0.0000 0.0000 34254.9525 -149083.4774 299.1570 -183338.4299 -148985.1565 300.0168 -313.6958 -283.9791 558536.2839 -8.5081 -8.5459 PRESSURE: 1162400 12.2112 44.3717 86.9026 44.3708 -16.6473 -49.7979 86.9037 -49.7984 -178.285 GPRESSURE: 1162400 25.7391 -0.603003 142.653 84.8228 44.5135 -43.2105 39.0343 5.6918 -143.604 PRESSAVG: 1162400 29.0311 40.282 -48.5596 40.282 41.3157 -26.7683 -48.5595 -26.7682 -56.5019 GPRESSAVG: 1162400 29.8502 38.9442 -50.7563 41.7515 41.5514 -26.355 -46.4476 -29.8559 -57.1488 TIMING: 1162400 CPU: 3464.15, 0.00301198/step Wall: 3464.15, 0.00301198/step, 3.21077 hours remaining, 207.019531 MB of memory in use. ENERGY: 1162400 774.5888 2084.4911 1926.8917 111.9497 -205994.8753 17797.9936 0.0000 0.0000 34252.0748 -149046.8857 299.1319 -183298.9604 -148949.4562 299.8396 -60.9070 -24.4504 558056.9180 4.6150 4.7509 PRESSURE: 1162600 -214.243 27.7277 78.4511 27.728 -172.057 -32.1844 78.4502 -32.1846 -182.313 GPRESSURE: 1162600 -187.984 61.2703 59.0566 8.88864 -111.997 -23.6485 68.057 -2.48908 -175.516 PRESSAVG: 1162600 35.4366 -1.36781 -3.6716 -1.3679 -23.7497 10.5592 -3.67168 10.559 -45.5826 GPRESSAVG: 1162600 34.9351 -1.47245 -4.4851 -2.44403 -22.5815 10.722 -5.42211 14.3615 -46.1044 TIMING: 1162600 CPU: 3464.75, 0.00298876/step Wall: 3464.75, 0.00298876/step, 3.18585 hours remaining, 207.019531 MB of memory in use. ENERGY: 1162600 781.0804 2118.3452 1905.9084 124.0462 -205720.4632 17384.2633 0.0000 0.0000 34364.5932 -149042.2266 300.1145 -183406.8199 -148944.9857 300.0016 -189.5377 -158.4993 557501.2631 -11.2986 -11.2502 PRESSURE: 1162800 -76.501 41.6724 -34.4195 41.672 85.3913 -25.5357 -34.4194 -25.5352 -49.5915 GPRESSURE: 1162800 -27.6649 68.3412 -2.45153 8.99647 101.266 -0.19727 -27.1949 -30.9976 -20.3333 PRESSAVG: 1162800 47.7196 -12.5312 -38.2499 -12.5312 -29.6957 51.8331 -38.2499 51.8331 0.606454 GPRESSAVG: 1162800 47.1157 -12.7856 -38.933 -13.8507 -30.6175 52.3492 -38.416 49.7683 1.86993 TIMING: 1162800 CPU: 3465.35, 0.00298305/step Wall: 3465.35, 0.00298305/step, 3.1796 hours remaining, 207.019531 MB of memory in use. ENERGY: 1162800 739.2740 2126.3375 1924.5724 106.5623 -206319.2333 17776.6534 0.0000 0.0000 34351.8984 -149293.9353 300.0037 -183645.8337 -149195.1602 299.3827 -13.5671 17.7559 556871.6700 6.2101 6.1227 PRESSURE: 1163000 326.988 -107.852 -81.3589 -107.851 -116.553 -60.9902 -81.3601 -60.9906 -143.355 GPRESSURE: 1163000 365.748 -106.792 -91.5012 -105.419 -113.687 -13.4363 -156.248 -89.19 -96.346 PRESSAVG: 1163000 -6.80795 11.1976 -53.561 11.1975 3.61818 26.4553 -53.561 26.4553 -15.9186 GPRESSAVG: 1163000 -6.69548 11.765 -50.7057 11.8241 2.6651 25.7987 -53.0329 25.7185 -14.8512 TIMING: 1163000 CPU: 3465.95, 0.00299596/step Wall: 3465.95, 0.00299596/step, 3.19319 hours remaining, 207.019531 MB of memory in use. ENERGY: 1163000 757.7223 2042.1049 1937.5992 117.4766 -206453.3801 17918.6479 0.0000 0.0000 34271.5550 -149408.2741 299.3020 -183679.8291 -149314.4538 299.2080 22.3600 51.9050 557739.0856 -6.3695 -6.2938 PRESSURE: 1163200 -62.1605 -173.391 14.682 -173.392 40.1992 -45.238 14.6822 -45.2367 -83.051 GPRESSURE: 1163200 1.86366 -226.507 9.68488 -196.956 79.9737 -69.059 24.745 -36.4044 -84.782 PRESSAVG: 1163200 -8.51814 -24.4288 -39.4815 -24.4288 71.7075 29.6499 -39.4815 29.65 -27.8615 GPRESSAVG: 1163200 -8.20327 -25.6452 -41.5441 -22.2852 72.7219 29.429 -40.4106 31.0614 -28.9242 TIMING: 1163200 CPU: 3466.55, 0.00300986/step Wall: 3466.55, 0.00300986/step, 3.20784 hours remaining, 207.019531 MB of memory in use. ENERGY: 1163200 766.2135 2065.0845 1935.7747 120.4778 -206440.6971 17798.4429 0.0000 0.0000 34259.2805 -149495.4233 299.1948 -183754.7038 -149405.8565 298.5851 -35.0041 -0.9815 555877.8762 11.7760 11.8648 PRESSURE: 1163400 -46.8229 272.407 207.268 272.406 113.911 95.0126 207.268 95.0125 -326.958 GPRESSURE: 1163400 -18.3033 228.058 109.553 210.884 97.3828 85.8605 242.886 105.7 -240.599 PRESSAVG: 1163400 16.4803 -11.1239 -13.3382 -11.1239 -3.94156 62.1764 -13.3382 62.1765 15.6201 GPRESSAVG: 1163400 15.7864 -11.1206 -12.2464 -11.7367 -4.09173 60.66 -12.3978 64.6983 16.5674 TIMING: 1163400 CPU: 3467.15, 0.00300306/step Wall: 3467.15, 0.00300306/step, 3.20043 hours remaining, 207.019531 MB of memory in use. ENERGY: 1163400 734.1928 2004.4985 1913.4643 113.4904 -206130.2621 17594.3237 0.0000 0.0000 34105.1006 -149665.1918 297.8483 -183770.2924 -149575.9884 298.1856 -86.6233 -53.8399 555111.4060 9.3863 9.4207 PRESSURE: 1163600 -63.3009 0.0900653 -169.987 0.0893188 74.0855 28.1161 -169.987 28.1173 -298.553 GPRESSURE: 1163600 1.76864 18.1435 -183.205 20.8136 97.9933 -91.4228 -138.244 97.6629 -307.073 PRESSAVG: 1163600 36.3694 -3.12947 91.881 -3.12949 8.20703 42.2747 91.8811 42.2747 -46.6226 GPRESSAVG: 1163600 36.6376 0.380903 89.9173 -5.97028 7.94097 42.7194 93.4163 42.5271 -47.5274 TIMING: 1163600 CPU: 3467.75, 0.00298831/step Wall: 3467.75, 0.00298831/step, 3.18455 hours remaining, 207.019531 MB of memory in use. ENERGY: 1163600 786.7862 2076.5340 1937.0215 105.8584 -206338.4709 17786.9500 0.0000 0.0000 34218.5764 -149426.7444 298.8393 -183645.3207 -149332.3888 298.3214 -95.9229 -69.1035 555892.4224 -0.6821 -0.9830 PRESSURE: 1163800 6.59545 22.9575 37.9523 22.9575 -124.812 23.4262 37.9522 23.4268 68.9114 GPRESSURE: 1163800 -17.7531 75.8205 78.849 35.8281 -70.497 59.8814 30.5097 -6.12208 126.763 PRESSAVG: 1163800 35.1992 34.7355 -15.6115 34.7353 24.0833 38.5346 -15.6115 38.5345 -41.1369 GPRESSAVG: 1163800 34.8253 32.0893 -14.314 36.3198 24.5125 38.3313 -19.4577 37.4785 -41.0406 TIMING: 1163800 CPU: 3468.34, 0.00297546/step Wall: 3468.34, 0.00297546/step, 3.17068 hours remaining, 207.019531 MB of memory in use. ENERGY: 1163800 758.2948 2076.1842 1936.2687 103.8336 -206692.7440 17963.5734 0.0000 0.0000 34234.6821 -149619.9074 298.9800 -183854.5894 -149521.4858 298.7126 -16.4352 12.8377 556857.3889 6.0485 6.0991 PRESSURE: 1164000 -256.895 -1.0488 82.7161 -1.04888 28.7749 -210.191 82.7156 -210.19 -153.565 GPRESSURE: 1164000 -221.786 -44.713 77.6575 60.9078 68.1712 -289.678 87.9329 -177.614 -134.414 PRESSAVG: 1164000 -3.59453 19.795 -56.7625 19.7949 14.4793 62.472 -56.7624 62.4721 -45.3508 GPRESSAVG: 1164000 -2.64964 19.9021 -56.6354 20.8153 14.1126 62.4959 -54.3052 60.0708 -46.0642 TIMING: 1164000 CPU: 3468.94, 0.00296728/step Wall: 3468.94, 0.00296728/step, 3.1618 hours remaining, 207.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1164000 757.7232 1993.3025 1929.1687 109.8560 -206250.7213 17701.3874 0.0000 0.0000 34220.0922 -149539.1912 298.8526 -183759.2834 -149433.7921 298.3954 -127.2281 -96.0097 557382.1287 -11.4887 -11.5338 PRESSURE: 1164200 236.994 -165.275 119.132 -165.273 25.2798 3.24946 119.131 3.24949 64.8734 GPRESSURE: 1164200 287.583 -155.218 113.084 -125.708 76.4642 -31.7321 92.8585 71.8072 49.9174 PRESSAVG: 1164200 -46.2055 -26.2549 -17.4356 -26.2549 29.7269 -12.5151 -17.4355 -12.5151 -18.3848 GPRESSAVG: 1164200 -46.0082 -26.9727 -17.0543 -27.284 29.812 -11.5814 -19.7633 -11.6026 -18.3135 TIMING: 1164200 CPU: 3469.53, 0.00297944/step Wall: 3469.53, 0.00297944/step, 3.17459 hours remaining, 207.019531 MB of memory in use. ENERGY: 1164200 724.9360 2061.7853 1952.5518 120.2988 -206603.9705 18066.7734 0.0000 0.0000 34277.1397 -149400.4854 299.3508 -183677.6251 -149306.7944 298.3386 109.0491 137.9881 557898.4179 -11.6211 -11.5033 LDB: ============= START OF LOAD BALANCING ============== 3473.08 LDB: ============== END OF LOAD BALANCING =============== 3473.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3473.08 LDB: ============= START OF LOAD BALANCING ============== 3473.38 LDB: Largest compute 4796 load 0.027533 is 23.3% of average load 0.118163 LDB: Average compute 0.001728 is 1.5% of average load 0.118163 LDB: TIME 3473.38 LOAD: AVG 0.118163 MAX 0.208807 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.82 MB LDB: TIME 3473.38 LOAD: AVG 0.118163 MAX 0.208807 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.859 MB LDB: TIME 3473.39 LOAD: AVG 0.118163 MAX 0.208807 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.859 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3473.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3473.39 PRESSURE: 1164400 157.552 44.1727 -202.207 44.173 -29.9484 -97.3102 -202.207 -97.3105 -117.55 GPRESSURE: 1164400 133.172 52.7214 -261.899 -38.0498 33.7407 -50.9624 -160.792 -115.543 -53.1954 PRESSAVG: 1164400 -12.744 -18.308 -29.5866 -18.308 -1.16992 -14.6727 -29.5866 -14.6727 10.528 GPRESSAVG: 1164400 -12.2764 -19.8678 -31.4331 -18.778 -1.00316 -15.3449 -28.2429 -12.9441 9.56208 TIMING: 1164400 CPU: 3470.14, 0.00305022/step Wall: 3470.14, 0.00305022/step, 3.24984 hours remaining, 206.308594 MB of memory in use. ENERGY: 1164400 706.0010 2073.8143 1939.9254 116.9049 -206369.8408 17909.3934 0.0000 0.0000 34197.0033 -149426.7985 298.6509 -183623.8018 -149329.4333 299.1623 3.3511 37.9057 558958.8903 -1.1287 -1.2392 PRESSURE: 1164600 6.32055 -109.559 110.294 -109.559 167.677 33.5996 110.295 33.5986 69.8657 GPRESSURE: 1164600 126.018 5.99397 155.133 -135.264 191.122 25.302 47.0797 37.4978 19.177 PRESSAVG: 1164600 12.2798 -13.3961 30.3864 -13.3961 102.894 4.54697 30.3865 4.54704 -95.8481 GPRESSAVG: 1164600 11.0467 -10.5598 29.1502 -12.3341 103.533 6.90639 30.877 1.15937 -95.2109 TIMING: 1164600 CPU: 3470.74, 0.00300873/step Wall: 3470.74, 0.00300873/step, 3.20546 hours remaining, 206.308594 MB of memory in use. ENERGY: 1164600 702.3912 2073.5187 1927.8511 117.0879 -206657.9655 18113.5303 0.0000 0.0000 34008.3705 -149715.2160 297.0036 -183723.5864 -149615.5712 298.4353 81.2879 112.1056 558482.4904 6.4417 6.4563 PRESSURE: 1164800 -93.7333 -79.8798 -11.42 -79.8811 4.11388 -15.6944 -11.4214 -15.6961 -114.756 GPRESSURE: 1164800 -76.9204 -33.975 71.7094 -61.536 57.4316 -22.7266 -63.9248 37.4303 -79.059 PRESSAVG: 1164800 29.3377 13.8128 -35.8445 13.8127 -18.2376 21.1123 -35.8445 21.1123 0.770778 GPRESSAVG: 1164800 28.842 12.3525 -34.9001 15.0486 -19.0622 18.9754 -34.1966 22.4232 2.61694 TIMING: 1164800 CPU: 3471.35, 0.00301588/step Wall: 3471.35, 0.00301588/step, 3.21291 hours remaining, 206.308594 MB of memory in use. ENERGY: 1164800 764.0594 2105.4277 1939.1543 99.4893 -206472.4869 17877.9266 0.0000 0.0000 33903.2582 -149783.1715 296.0856 -183686.4297 -149696.1664 297.6094 -68.1250 -32.8493 558659.9617 3.9569 4.1323 PRESSURE: 1165000 -188.63 -75.4841 46.0464 -75.4844 -121.879 180.695 46.0451 180.695 -174.726 GPRESSURE: 1165000 -142.864 -0.0162372 85.4749 -228.342 -123.772 184.039 61.6856 178.7 -125.22 PRESSAVG: 1165000 0.198256 -15.1887 25.1069 -15.1887 -7.37995 12.2158 25.107 12.2159 2.66738 GPRESSAVG: 1165000 1.5937 -14.4252 24.4367 -17.2739 -7.34685 13.9004 23.1066 12.7656 1.10229 TIMING: 1165000 CPU: 3471.95, 0.00300618/step Wall: 3471.95, 0.00300618/step, 3.20241 hours remaining, 206.308594 MB of memory in use. ENERGY: 1165000 744.7729 2062.1451 1909.5178 109.5622 -206282.2763 17785.0209 0.0000 0.0000 33972.9843 -149698.2732 296.6945 -183671.2574 -149599.6113 297.8477 -161.7449 -130.6186 557443.6079 -1.5048 -1.5503 PRESSURE: 1165200 1.96054 -179.93 1.78755 -179.928 -203.893 41.0736 1.78684 41.0745 139.492 GPRESSURE: 1165200 36.2503 -119.026 -47.1111 -123.926 -189.201 31.5185 -24.9064 25.7113 179.614 PRESSAVG: 1165200 -43.7734 -56.6987 13.2752 -56.6987 31.8236 65.451 13.2751 65.4508 71.3463 GPRESSAVG: 1165200 -44.607 -58.5322 13.2859 -57.1248 31.6704 64.0309 14.0175 64.6893 72.7463 TIMING: 1165200 CPU: 3472.55, 0.00300397/step Wall: 3472.55, 0.00300397/step, 3.1999 hours remaining, 206.308594 MB of memory in use. ENERGY: 1165200 712.8708 2071.7272 1929.0567 114.2112 -206342.0233 17882.6373 0.0000 0.0000 33913.0686 -149718.4516 296.1713 -183631.5202 -149628.1923 298.1527 -20.8135 8.8876 557412.2692 19.7988 19.9366 PRESSURE: 1165400 8.95994 72.5897 145.163 72.5892 10.3927 87.2047 145.164 87.2042 -11.2586 GPRESSURE: 1165400 55.2043 118.992 77.9187 88.2065 29.1201 136.911 115.762 128.75 19.3852 PRESSAVG: 1165400 -10.182 0.254514 24.0711 0.25455 -41.1278 57.2052 24.0712 57.2053 57.5083 GPRESSAVG: 1165400 -9.52349 2.00316 23.4992 0.982919 -41.6418 57.9278 23.5779 57.6822 57.1673 TIMING: 1165400 CPU: 3473.15, 0.0029923/step Wall: 3473.15, 0.0029923/step, 3.1873 hours remaining, 206.308594 MB of memory in use. ENERGY: 1165400 735.2975 2013.3285 1936.8491 112.4220 -206418.1859 17949.3586 0.0000 0.0000 34045.8711 -149625.0591 297.3311 -183670.9301 -149528.8593 297.8344 2.6980 34.5699 558996.6751 2.0662 2.0007 PRESSURE: 1165600 -275.925 17.8922 -53.0243 17.8927 -24.1229 48.217 -53.024 48.2175 114.57 GPRESSURE: 1165600 -204.73 51.9846 -54.305 36.0548 1.57787 53.5379 -16.7432 37.779 116.276 PRESSAVG: 1165600 -19.9915 43.1134 -28.3871 43.1134 3.08284 49.2794 -28.3871 49.2793 14.5978 GPRESSAVG: 1165600 -19.798 43.2497 -28.5873 41.5219 3.37535 47.2622 -28.122 48.6793 14.5793 TIMING: 1165600 CPU: 3473.75, 0.00299671/step Wall: 3473.75, 0.00299671/step, 3.19183 hours remaining, 206.308594 MB of memory in use. ENERGY: 1165600 759.4715 2073.0782 1905.0615 114.4416 -206305.0620 17787.8188 0.0000 0.0000 34095.4573 -149569.7330 297.7641 -183665.1903 -149469.8066 297.8648 -61.8258 -28.9586 558829.6196 -0.7703 -0.6145 PRESSURE: 1165800 -57.9094 -236.426 -61.4026 -236.426 -193.744 -35.2772 -61.4028 -35.2765 -168.92 GPRESSURE: 1165800 -37.7139 -234.765 -11.4571 -256.139 -169.556 -62.709 -65.3175 4.7736 -118.628 PRESSAVG: 1165800 -101.212 -10.0816 5.11402 -10.0816 24.1559 80.0588 5.11408 80.0589 78.9777 GPRESSAVG: 1165800 -101.537 -9.92635 5.56976 -9.55256 24.8633 80.9609 4.48211 82.8961 77.8653 TIMING: 1165800 CPU: 3474.34, 0.00299044/step Wall: 3474.34, 0.00299044/step, 3.18499 hours remaining, 206.308594 MB of memory in use. ENERGY: 1165800 740.0753 2088.6905 1905.7742 98.0000 -206362.1916 17678.6983 0.0000 0.0000 34216.9374 -149634.0159 298.8250 -183850.9533 -149541.5968 298.2818 -140.1913 -108.6327 558168.0892 0.6404 0.3972 PRESSURE: 1166000 -142.547 12.1211 56.6551 12.1216 107.877 -163.507 56.6544 -163.506 230.441 GPRESSURE: 1166000 -61.6313 0.899313 20.337 -38.107 105.114 -180.966 -31.3053 -93.3605 249.955 PRESSAVG: 1166000 16.3815 15.8179 -45.1347 15.8179 -14.8891 55.4643 -45.1347 55.4643 60.3292 GPRESSAVG: 1166000 16.229 12.7438 -45.2459 16.716 -14.7068 53.7012 -43.9947 54.805 60.7073 TIMING: 1166000 CPU: 3474.94, 0.00298013/step Wall: 3474.94, 0.00298013/step, 3.17384 hours remaining, 206.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1166000 705.2423 2009.7682 1911.8992 117.0611 -206661.7631 17979.9284 0.0000 0.0000 34236.5016 -149701.3623 298.9959 -183937.8639 -149606.2018 298.3328 65.2570 97.8128 556203.3778 20.6072 20.7431 PRESSURE: 1166200 -197.312 -47.4847 111.181 -47.4855 -337.775 0.240343 111.183 0.240043 -276.074 GPRESSURE: 1166200 -201.059 13.0387 58.2003 -27.9545 -259.726 -11.0652 125.157 11.4773 -244.502 PRESSAVG: 1166200 -15.015 11.2866 -4.37609 11.2866 -8.7167 -0.0437894 -4.37608 -0.0437414 -41.4757 GPRESSAVG: 1166200 -14.4092 15.2916 -3.8773 11.4403 -9.69065 2.80793 -5.2783 -1.34114 -40.9873 TIMING: 1166200 CPU: 3475.54, 0.00297839/step Wall: 3475.54, 0.00297839/step, 3.17182 hours remaining, 206.308594 MB of memory in use. ENERGY: 1166200 731.3267 2055.6593 1914.8571 124.3069 -205906.5122 17388.4945 0.0000 0.0000 34085.4210 -149606.4466 297.6765 -183691.8676 -149504.9741 297.9642 -270.3869 -235.0955 559233.2486 -21.7358 -21.6957 PRESSURE: 1166400 241.173 -75.7529 -26.9591 -75.7521 306.063 -31.2391 -26.9586 -31.2399 77.5891 GPRESSURE: 1166400 337.794 -10.3127 -10.8703 -122.654 316.506 -57.2201 28.5751 -42.8029 56.6524 PRESSAVG: 1166400 45.9239 36.6004 -16.1699 36.6004 23.1967 -1.6951 -16.1698 -1.69515 -39.8543 GPRESSAVG: 1166400 47.3462 33.7203 -16.0333 35.6087 22.8443 -2.43396 -15.3379 -2.22742 -40.9731 TIMING: 1166400 CPU: 3476.13, 0.00299141/step Wall: 3476.13, 0.00299141/step, 3.18552 hours remaining, 206.308594 MB of memory in use. ENERGY: 1166400 740.4110 2102.5764 1914.0232 111.5684 -207081.1800 18450.0253 0.0000 0.0000 34248.9498 -149513.6260 299.1046 -183762.5758 -149421.2463 298.8143 208.2751 236.9838 557015.8143 9.7554 9.7391 PRESSURE: 1166600 -3.56996 82.896 145.238 82.8974 -30.1728 -122.543 145.238 -122.545 43.8479 GPRESSURE: 1166600 36.2434 125.803 174.267 13.345 -11.0346 -34.2015 150.408 -229.851 90.4779 PRESSAVG: 1166600 -33.677 14.9169 20.4043 14.917 104.771 -3.96781 20.4045 -3.96789 -82.5721 GPRESSAVG: 1166600 -36.0069 15.9236 22.7235 16.2652 105.234 -4.13554 20.7289 -2.01932 -80.2692 TIMING: 1166600 CPU: 3476.74, 0.00301367/step Wall: 3476.74, 0.00301367/step, 3.20905 hours remaining, 206.308594 MB of memory in use. ENERGY: 1166600 772.2202 2048.8551 1931.8092 107.9599 -206597.4097 17903.2510 0.0000 0.0000 34255.3563 -149577.9580 299.1605 -183833.3143 -149484.6213 298.3877 3.3684 38.5623 558372.9919 -3.8259 -3.6806 PRESSURE: 1166800 -7.63687 -90.4268 225.096 -90.4269 -16.43 -10.9047 225.096 -10.9037 -147.949 GPRESSURE: 1166800 44.9789 -103.917 171.039 -53.8645 -18.7653 -37.5725 195.359 -81.0387 -99.554 PRESSAVG: 1166800 -39.1705 -33.6329 20.1532 -33.6328 40.7885 -0.198584 20.1531 -0.19865 22.6572 GPRESSAVG: 1166800 -38.5273 -35.6812 17.1545 -33.887 39.8838 1.47708 19.5446 -3.6991 22.1662 TIMING: 1166800 CPU: 3477.33, 0.0029878/step Wall: 3477.33, 0.0029878/step, 3.18134 hours remaining, 206.308594 MB of memory in use. ENERGY: 1166800 736.7261 2122.1221 1949.3045 120.2841 -206948.8927 17953.5083 0.0000 0.0000 34549.2971 -149517.6506 301.7276 -184066.9476 -149421.7500 299.1059 -57.3388 -24.4468 557018.7320 8.0917 7.8409 PRESSURE: 1167000 83.924 -26.4246 -109.293 -26.4236 -161.942 93.7893 -109.294 93.7886 -77.3339 GPRESSURE: 1167000 119.123 -14.5502 -147.342 -58.7274 -118.732 75.6444 -88.0089 7.25442 -58.7493 PRESSAVG: 1167000 34.4827 -13.4584 26.6996 -13.4584 -42.3252 23.6674 26.6997 23.6674 21.4496 GPRESSAVG: 1167000 34.8015 -12.0281 28.0852 -12.157 -41.3915 22.9844 27.1847 24.841 20.3267 TIMING: 1167000 CPU: 3477.93, 0.00298603/step Wall: 3477.93, 0.00298603/step, 3.1793 hours remaining, 206.308594 MB of memory in use. ENERGY: 1167000 702.5230 2162.8768 1899.5374 116.2216 -206529.2491 17849.9006 0.0000 0.0000 34291.9802 -149506.2096 299.4804 -183798.1897 -149409.8004 299.0200 -51.7838 -19.4528 557431.8370 4.5357 4.5789 PRESSURE: 1167200 -56.4687 166.381 -89.2184 166.38 -140.381 -33.4406 -89.2187 -33.4393 -65.5384 GPRESSURE: 1167200 14.9428 135.329 -53.1109 75.1144 -109.707 -106.036 -76.6525 -19.1061 -76.6483 PRESSAVG: 1167200 -25.6921 0.246824 18.1381 0.246822 -32.7206 -26.8394 18.1382 -26.8393 62.4995 GPRESSAVG: 1167200 -26.0509 2.5007 16.0279 -3.61489 -32.6675 -30.2994 17.7051 -24.0115 62.6789 TIMING: 1167200 CPU: 3478.53, 0.00297908/step Wall: 3478.53, 0.00297908/step, 3.17173 hours remaining, 206.308594 MB of memory in use. ENERGY: 1167200 718.1722 2032.0808 1911.2825 119.1539 -206064.8490 17525.9385 0.0000 0.0000 34106.3785 -149651.8426 297.8595 -183758.2212 -149553.9474 298.4228 -87.4625 -57.1376 557290.4809 1.3622 1.3202 PRESSURE: 1167400 -175.683 -133.378 136.362 -133.377 -52.9848 -76.5706 136.36 -76.5707 91.0816 GPRESSURE: 1167400 -122.448 -106.266 184.167 -177.135 -22.9314 -82.5739 200.622 -19.8016 100.009 PRESSAVG: 1167400 42.8728 7.86439 1.96666 7.86436 -81.9533 -26.9013 1.9667 -26.9013 32.9298 GPRESSAVG: 1167400 43.9217 5.3298 5.59879 9.02946 -81.9882 -24.2021 1.11966 -28.902 31.513 TIMING: 1167400 CPU: 3479.13, 0.00299703/step Wall: 3479.13, 0.00299703/step, 3.19067 hours remaining, 206.308594 MB of memory in use. ENERGY: 1167400 733.1653 2036.6518 1907.1558 120.4335 -206200.3263 17521.6847 0.0000 0.0000 34426.3610 -149454.8742 300.6540 -183881.2351 -149361.2035 298.3201 -45.8622 -15.1234 556668.3226 -2.0502 -2.1845 PRESSURE: 1167600 218.506 -12.8426 -49.049 -12.843 252.71 -63.0161 -49.0492 -63.0165 -38.1853 GPRESSURE: 1167600 222.792 21.6105 -115.421 7.25384 335.937 38.4476 28.8142 -50.6862 -43.3204 PRESSAVG: 1167600 -3.58917 -6.12752 44.8326 -6.12751 -1.43277 -25.3655 44.8326 -25.3656 0.546178 GPRESSAVG: 1167600 -4.114 -6.31579 42.0163 -4.11571 -2.01862 -26.047 46.4339 -23.7044 1.51487 TIMING: 1167600 CPU: 3479.73, 0.00299121/step Wall: 3479.73, 0.00299121/step, 3.18431 hours remaining, 206.308594 MB of memory in use. ENERGY: 1167600 742.8759 2057.9123 1928.0766 108.0883 -206675.0641 18173.7625 0.0000 0.0000 34151.5776 -149512.7709 298.2542 -183664.3485 -149420.5206 298.4110 144.3436 171.8028 557199.2314 -1.4919 -1.5393 PRESSURE: 1167800 -162.472 -148.356 171.975 -148.356 -171.035 -26.456 171.975 -26.4546 154.112 GPRESSURE: 1167800 -133.362 -138.244 158.072 -157.333 -155.785 -141.363 151.228 -40.7291 217.856 PRESSAVG: 1167800 2.0731 -28.5371 -22.1705 -28.5371 -21.8194 22.1546 -22.1705 22.1547 -0.447824 GPRESSAVG: 1167800 2.73048 -27.0441 -20.5989 -28.7597 -22.6384 22.549 -23.2463 19.7044 -0.333953 TIMING: 1167800 CPU: 3480.33, 0.00301669/step Wall: 3480.33, 0.00301669/step, 3.21127 hours remaining, 206.308594 MB of memory in use. ENERGY: 1167800 783.9586 2045.3095 1931.4275 124.5449 -206260.0334 17714.9073 0.0000 0.0000 34162.2681 -149497.6174 298.3476 -183659.8855 -149410.0950 298.1774 -59.7984 -23.7634 557380.1346 -6.7314 -6.7473 PRESSURE: 1168000 -73.5108 177.697 59.3069 177.698 46.0312 145.25 59.3055 145.248 73.5925 GPRESSURE: 1168000 -6.5091 153.079 10.4781 200.562 68.2293 82.8918 72.736 215.944 84.9217 PRESSAVG: 1168000 32.7301 -27.8955 4.09198 -27.8956 16.6365 63.3419 4.09193 63.3421 -24.4498 GPRESSAVG: 1168000 32.3 -27.4244 4.10383 -28.8913 17.2828 61.4498 4.00808 66.2749 -24.0695 TIMING: 1168000 CPU: 3480.93, 0.00301083/step Wall: 3480.93, 0.00301083/step, 3.20486 hours remaining, 206.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1168000 723.4770 2071.1123 1924.8904 104.1780 -206232.9532 17885.5162 0.0000 0.0000 34106.8020 -149416.9772 297.8632 -183523.7792 -149320.7073 298.5216 15.3709 48.8806 557749.3460 8.3056 8.5044 PRESSURE: 1168200 -26.5864 -83.9015 -45.0948 -83.9015 187.886 126.938 -45.0944 126.937 -56.2124 GPRESSURE: 1168200 10.6909 -60.235 4.0604 -92.6603 222.172 7.09316 -62.8575 259.784 -31.0372 PRESSAVG: 1168200 -16.1327 -52.2231 8.58553 -52.2231 14.5685 9.54964 8.58563 9.54954 -13.3489 GPRESSAVG: 1168200 -16.8298 -53.5865 7.75712 -51.6621 14.9837 11.8371 7.13044 7.68648 -12.7792 TIMING: 1168200 CPU: 3481.52, 0.00296604/step Wall: 3481.52, 0.00296604/step, 3.15702 hours remaining, 206.308594 MB of memory in use. ENERGY: 1168200 770.8605 2088.5013 1923.2445 102.9629 -206348.2205 17945.5457 0.0000 0.0000 34205.0218 -149312.0839 298.7210 -183517.1057 -149220.5626 298.2293 35.0291 67.2751 557094.2147 -4.9710 -4.8751 LDB: ============= START OF LOAD BALANCING ============== 3485.07 LDB: ============== END OF LOAD BALANCING =============== 3485.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3485.07 LDB: ============= START OF LOAD BALANCING ============== 3485.37 LDB: Largest compute 4796 load 0.027119 is 23.0% of average load 0.118151 LDB: Average compute 0.001710 is 1.4% of average load 0.118151 LDB: TIME 3485.38 LOAD: AVG 0.118151 MAX 0.209892 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.309 MB LDB: TIME 3485.38 LOAD: AVG 0.118151 MAX 0.209892 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: TIME 3485.38 LOAD: AVG 0.118151 MAX 0.209892 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3485.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3485.38 PRESSURE: 1168400 227.623 -147.668 -22.9573 -147.667 -168.809 -153.095 -22.9568 -153.095 67.2605 GPRESSURE: 1168400 199.143 -239.417 -44.0076 -132.652 -121.329 -124.683 -1.35419 -207.183 129.141 PRESSAVG: 1168400 11.6027 -39.1851 -7.54869 -39.1851 -5.71994 25.964 -7.54871 25.9639 53.6171 GPRESSAVG: 1168400 11.7777 -36.4013 -8.49992 -40.812 -6.2442 24.9243 -5.9413 28.025 54.0342 TIMING: 1168400 CPU: 3482.13, 0.00303978/step Wall: 3482.13, 0.00303978/step, 3.23533 hours remaining, 207.718750 MB of memory in use. ENERGY: 1168400 767.7613 2070.3161 1939.5526 105.5958 -206191.7479 17937.7961 0.0000 0.0000 34186.5111 -149184.2149 298.5593 -183370.7260 -149093.0201 299.8547 42.0249 68.9852 557432.6969 19.8333 19.8559 PRESSURE: 1168600 -75.6518 -90.6042 12.258 -90.6044 -14.2387 128.77 12.2582 128.771 208.738 GPRESSURE: 1168600 -46.4471 -106.727 11.2327 -46.3852 40.7722 29.5968 -79.7759 77.4714 204.422 PRESSAVG: 1168600 12.9507 -10.104 21.7735 -10.1041 -2.88627 8.90786 21.7735 8.90783 -39.2807 GPRESSAVG: 1168600 13.5909 -12.088 23.0165 -10.8165 -2.52206 7.51071 21.8677 8.35384 -40.4095 TIMING: 1168600 CPU: 3482.73, 0.0030034/step Wall: 3482.73, 0.0030034/step, 3.19645 hours remaining, 207.921875 MB of memory in use. ENERGY: 1168600 786.8227 2084.0240 1925.8565 99.9243 -206366.0579 17885.5287 0.0000 0.0000 34470.9495 -149112.9520 301.0434 -183583.9016 -149008.5284 299.4864 39.6158 66.2489 556177.1761 -9.7388 -9.7802 PRESSURE: 1168800 67.2259 -154.74 103.281 -154.74 -99.7627 -43.0763 103.281 -43.0762 -87.2783 GPRESSURE: 1168800 106.984 -193.399 115.16 -182.761 -59.2367 -122.349 41.0425 72.6591 -58.625 PRESSAVG: 1168800 26.2206 -47.2086 39.3311 -47.2086 2.17021 12.466 39.331 12.466 7.41268 GPRESSAVG: 1168800 24.8065 -45.9462 39.653 -48.3516 2.20715 13.6882 38.4702 12.839 8.59948 TIMING: 1168800 CPU: 3483.33, 0.00297613/step Wall: 3483.33, 0.00297613/step, 3.16726 hours remaining, 207.921875 MB of memory in use. ENERGY: 1168800 762.8018 2076.2285 1942.9442 110.2015 -205716.0965 17557.8349 0.0000 0.0000 34287.2166 -148978.8691 299.4388 -183266.0857 -148872.1798 300.4544 -39.9384 -3.6260 557519.3997 11.9345 11.8710 PRESSURE: 1169000 -151.365 -2.41846 -56.5187 -2.41812 -76.2384 -65.9658 -56.5212 -65.9638 -40.8061 GPRESSURE: 1169000 -98.306 62.7635 -25.3384 -86.5536 5.65898 -49.5964 -49.7011 -50.5951 -64.0636 PRESSAVG: 1169000 -47.738 -4.40252 8.28314 -4.40255 -16.8291 12.1633 8.28314 12.1634 28.4471 GPRESSAVG: 1169000 -47.006 -4.23236 7.3345 -3.26267 -15.9361 13.774 10.1899 10.2941 26.7257 TIMING: 1169000 CPU: 3483.93, 0.00299957/step Wall: 3483.93, 0.00299957/step, 3.19204 hours remaining, 207.921875 MB of memory in use. ENERGY: 1169000 758.3103 2088.1111 1912.3898 116.2020 -205776.6821 17479.5104 0.0000 0.0000 34333.5251 -149088.6333 299.8432 -183422.1585 -148989.8422 299.5557 -89.4698 -52.2369 557485.0554 -12.0400 -12.0721 PRESSURE: 1169200 -303.736 -131.329 -84.4972 -131.329 113.55 -56.0605 -84.4959 -56.0618 273.768 GPRESSURE: 1169200 -255.754 -118.746 -106.661 -105.751 135.791 -34.7236 -93.7833 18.7559 305.054 PRESSAVG: 1169200 -37.6497 -23.14 39.1352 -23.14 2.77362 -20.6589 39.135 -20.6589 24.9691 GPRESSAVG: 1169200 -37.2365 -23.9211 39.3646 -21.1509 1.43833 -22.0522 38.0786 -19.7824 25.8508 TIMING: 1169200 CPU: 3484.53, 0.00301285/step Wall: 3484.53, 0.00301285/step, 3.20601 hours remaining, 207.921875 MB of memory in use. ENERGY: 1169200 767.5232 2104.4861 1923.4262 109.2013 -205986.0923 17884.1843 0.0000 0.0000 34187.0728 -149010.1983 298.5642 -183197.2711 -148922.3443 299.2371 27.8605 61.6969 559296.4445 -3.3023 -3.3158 PRESSURE: 1169400 -71.9043 -59.4951 -15.7862 -59.4951 6.40158 117.499 -15.7858 117.498 -178.728 GPRESSURE: 1169400 -26.7973 -18.9902 -30.3543 -78.8896 16.838 96.4625 42.6577 114.234 -137.946 PRESSAVG: 1169400 -32.7697 -61.2306 2.9503 -61.2306 -30.3678 9.44882 2.95022 9.44875 59.2905 GPRESSAVG: 1169400 -33.2814 -62.0323 1.01431 -60.4054 -30.5757 9.38913 1.72729 10.6409 59.8933 TIMING: 1169400 CPU: 3485.13, 0.00301102/step Wall: 3485.13, 0.00301102/step, 3.20389 hours remaining, 207.921875 MB of memory in use. ENERGY: 1169400 746.1102 2124.7592 1941.6913 107.0653 -205485.7368 17442.2931 0.0000 0.0000 34272.1702 -148851.6476 299.3074 -183123.8177 -148748.0078 300.0626 -81.4104 -49.3017 558972.2431 -1.2824 -1.3213 PRESSURE: 1169600 -51.9349 164.039 -114.315 164.04 24.9525 -46.622 -114.315 -46.623 93.8784 GPRESSURE: 1169600 -30.8729 124.809 -153.761 217.849 103.55 -58.2355 -122.96 -7.16041 102.747 PRESSAVG: 1169600 36.9436 -25.092 -30.083 -25.0921 -11.0617 25.1658 -30.0831 25.1658 -31.1479 GPRESSAVG: 1169600 38.5706 -23.9054 -27.7948 -26.1064 -10.9656 25.5485 -30.8267 24.496 -32.301 TIMING: 1169600 CPU: 3485.73, 0.00297337/step Wall: 3485.73, 0.00297337/step, 3.16366 hours remaining, 207.921875 MB of memory in use. ENERGY: 1169600 725.1298 2117.1614 1882.6194 104.7493 -206068.0412 17814.1003 0.0000 0.0000 34685.9118 -148738.3691 302.9207 -183424.2809 -148636.3353 300.1599 22.2987 58.4747 557852.2035 -1.7553 -1.5653 PRESSURE: 1169800 129.012 121.412 68.3395 121.412 149.671 -9.43031 68.3408 -9.43112 -68.1727 GPRESSURE: 1169800 151.416 191.262 98.4577 69.8837 196.962 -19.4066 9.19697 32.4176 -45.2861 PRESSAVG: 1169800 -29.7187 42.1659 -10.9551 42.1659 -6.0231 -41.0807 -10.955 -41.0807 30.173 GPRESSAVG: 1169800 -30.7039 40.1556 -12.1492 41.1006 -5.85358 -41.5314 -10.4978 -42.7428 30.9523 TIMING: 1169800 CPU: 3486.32, 0.00296089/step Wall: 3486.32, 0.00296089/step, 3.15022 hours remaining, 207.921875 MB of memory in use. ENERGY: 1169800 730.2874 2073.7961 1921.5571 104.8426 -206061.7011 17791.3353 0.0000 0.0000 34482.2669 -148957.6158 301.1422 -183439.8827 -148867.6039 300.7957 70.1700 101.0309 555773.0112 -1.8562 -1.8684 PRESSURE: 1170000 -74.4304 0.377505 44.7645 0.377733 -59.1036 49.6325 44.7645 49.6331 -20.2946 GPRESSURE: 1170000 -80.3564 50.084 -2.79277 -25.3758 1.44729 37.0414 78.0408 21.8713 17.9121 PRESSAVG: 1170000 51.2303 -9.49008 71.2019 -9.49008 32.0249 -22.8749 71.2019 -22.8749 -22.7536 GPRESSAVG: 1170000 50.4454 -8.18339 71.9938 -8.25303 31.9893 -24.89 71.8654 -22.4072 -22.3622 TIMING: 1170000 CPU: 3486.91, 0.00297526/step Wall: 3486.91, 0.00297526/step, 3.16534 hours remaining, 207.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1170000 738.8673 2080.4392 1923.1876 104.7416 -205637.2324 17398.8320 0.0000 0.0000 34551.0411 -148840.1238 301.7428 -183391.1648 -148740.6342 300.3777 -51.2762 -20.3323 557824.4196 20.1672 20.0242 PRESSURE: 1170200 -124.642 -21.0897 -214.983 -21.0892 -15.3791 119.811 -214.984 119.811 -89.1618 GPRESSURE: 1170200 -93.6639 -45.4345 -212.819 -65.5432 23.7373 33.9078 -217.339 191.241 -66.9697 PRESSAVG: 1170200 -24.2701 10.8052 -16.4887 10.8053 75.2084 -48.1944 -16.4887 -48.1944 -69.6257 GPRESSAVG: 1170200 -23.6609 12.0933 -17.9612 9.25846 75.797 -45.8467 -14.2199 -45.6503 -70.7278 TIMING: 1170200 CPU: 3487.51, 0.00298924/step Wall: 3487.51, 0.00298924/step, 3.18006 hours remaining, 207.921875 MB of memory in use. ENERGY: 1170200 741.6047 2102.1981 1924.2419 114.5731 -205710.2452 17667.4489 0.0000 0.0000 34210.4668 -148949.7116 298.7685 -183160.1785 -148858.8211 300.1332 -76.3944 -45.6321 558668.0897 -6.2291 -6.1973 PRESSURE: 1170400 26.2891 78.7532 64.5756 78.7534 -104.763 129.437 64.5757 129.437 -60.2884 GPRESSURE: 1170400 44.6893 72.0889 45.1909 18.2313 -94.4326 40.0384 148.922 99.7004 5.48283 PRESSAVG: 1170400 9.16508 -33.0725 -14.2171 -33.0727 -13.5957 -30.0071 -14.2171 -30.0072 -10.2249 GPRESSAVG: 1170400 9.64996 -32.1079 -14.2589 -34.5876 -14.9658 -31.6207 -14.9813 -32.5501 -9.54009 TIMING: 1170400 CPU: 3488.11, 0.00297046/step Wall: 3488.11, 0.00297046/step, 3.15991 hours remaining, 207.921875 MB of memory in use. ENERGY: 1170400 720.9087 2049.2286 1892.8494 123.4734 -205709.9784 17656.4093 0.0000 0.0000 34414.3160 -148852.7929 300.5488 -183267.1090 -148752.2183 299.9464 -46.2541 -14.7535 558994.3911 -4.8852 -4.9520 PRESSURE: 1170600 122.452 -21.0895 94.688 -21.0896 -63.8099 48.2744 94.688 48.2742 -87.0066 GPRESSURE: 1170600 152.985 73.6928 48.621 -76.1451 -30.5412 132.253 153.368 9.44108 -48.6402 PRESSAVG: 1170600 -3.27033 -12.9403 30.0768 -12.9402 -55.8012 53.9348 30.0768 53.9347 4.4416 GPRESSAVG: 1170600 -3.09395 -14.6769 31.2079 -10.2186 -54.5751 54.857 29.1084 55.6256 2.87176 TIMING: 1170600 CPU: 3488.7, 0.00296514/step Wall: 3488.7, 0.00296514/step, 3.15409 hours remaining, 207.921875 MB of memory in use. ENERGY: 1170600 729.8540 2072.8781 1931.0705 109.3767 -205831.6792 17649.7584 0.0000 0.0000 34427.3330 -148911.4084 300.6625 -183338.7415 -148822.6593 301.0063 -9.4547 24.6013 555831.5226 -18.2100 -18.2658 PRESSURE: 1170800 -95.8575 -33.1641 19.0677 -33.1654 -311.339 88.3729 19.0668 88.3757 12.3504 GPRESSURE: 1170800 -54.5633 -79.7026 46.9023 37.1182 -285.928 38.5046 47.8283 111.809 42.73 PRESSAVG: 1170800 68.1257 -28.0931 -6.85869 -28.093 21.7851 20.3769 -6.8587 20.377 -83.3095 GPRESSAVG: 1170800 68.1894 -26.4852 -7.66242 -30.8741 21.2275 19.8799 -6.58115 19.6106 -82.4575 TIMING: 1170800 CPU: 3489.29, 0.00297158/step Wall: 3489.29, 0.00297158/step, 3.16077 hours remaining, 207.921875 MB of memory in use. ENERGY: 1170800 748.7854 2110.5402 1932.5442 106.1845 -205953.0607 17663.6997 0.0000 0.0000 34388.0408 -149003.2660 300.3193 -183391.3068 -148901.1937 300.1319 -131.6152 -99.2536 557847.0515 2.2004 2.3198 PRESSURE: 1171000 -74.8949 -112.582 -190.725 -112.582 -194.909 165.632 -190.725 165.632 -204.177 GPRESSURE: 1171000 -2.60824 -69.3408 -219.63 -149.027 -185.563 89.3821 -275.599 123.446 -195.924 PRESSAVG: 1171000 -23.1056 -56.5303 -25.9751 -56.5304 65.3738 17.7819 -25.9751 17.7819 -29.9429 GPRESSAVG: 1171000 -23.2767 -56.9776 -25.8368 -55.4093 65.2581 17.0603 -26.1127 18.1305 -30.0771 TIMING: 1171000 CPU: 3489.89, 0.00298256/step Wall: 3489.89, 0.00298256/step, 3.17229 hours remaining, 207.921875 MB of memory in use. ENERGY: 1171000 733.9252 2104.6945 1910.5595 115.7058 -205729.9017 17571.7514 0.0000 0.0000 34151.5316 -149141.7337 298.2538 -183293.2653 -149050.4043 299.5923 -157.9935 -128.0316 558359.8313 4.1084 3.9681 PRESSURE: 1171200 -349.329 -78.5284 -53.1908 -78.5298 -18.2654 296.816 -53.192 296.815 -340.5 GPRESSURE: 1171200 -280.503 -57.1783 -184.346 -33.5591 20.9739 258.689 -15.6038 297.995 -363.37 PRESSAVG: 1171200 -34.0877 -45.0719 -24.1929 -45.0719 48.198 60.7523 -24.193 60.7523 -34.8818 GPRESSAVG: 1171200 -36.0122 -44.7475 -24.9975 -45.2295 49.0512 60.3406 -24.415 62.1963 -33.7557 TIMING: 1171200 CPU: 3490.48, 0.00297068/step Wall: 3490.48, 0.00297068/step, 3.15948 hours remaining, 207.921875 MB of memory in use. ENERGY: 1171200 784.9588 2073.5151 1922.3503 101.3312 -205561.7439 17494.6165 0.0000 0.0000 34135.6553 -149049.3168 298.1152 -183184.9721 -148952.4324 299.3687 -236.0313 -207.6331 557853.2865 -6.9238 -6.9056 PRESSURE: 1171400 10.3835 -172.754 122.897 -172.754 246.735 -68.6531 122.896 -68.6542 95.0895 GPRESSURE: 1171400 100.25 -109.103 24.4663 -232.328 254.832 6.24107 151.389 -54.2766 97.6718 PRESSAVG: 1171400 -33.6906 -1.65478 -27.2329 -1.6547 28.9683 40.5618 -27.2329 40.5617 -3.64944 GPRESSAVG: 1171400 -32.4977 -1.61439 -26.9924 -1.09367 28.2783 40.4511 -27.928 40.1263 -3.98623 TIMING: 1171400 CPU: 3491.08, 0.00297757/step Wall: 3491.08, 0.00297757/step, 3.16664 hours remaining, 207.921875 MB of memory in use. ENERGY: 1171400 773.5877 2036.4536 1939.0560 109.3778 -206167.8316 17816.3357 0.0000 0.0000 34503.5178 -148989.5030 301.3278 -183493.0208 -148899.4543 300.0732 117.4027 150.9178 556596.9674 -2.7906 -2.7352 PRESSURE: 1171600 -269.691 -61.5149 146.302 -61.5143 -195.856 -175.682 146.301 -175.683 -191.524 GPRESSURE: 1171600 -259.666 12.8146 121.012 -122.574 -185.85 -122.612 72.5222 -209.087 -106.711 PRESSAVG: 1171600 -18.8676 18.1057 10.8886 18.1058 38.1729 19.7223 10.8885 19.7223 -59.0126 GPRESSAVG: 1171600 -17.3475 17.1036 11.4219 17.8181 37.4062 20.6548 12.242 19.7086 -59.7326 TIMING: 1171600 CPU: 3491.68, 0.00299488/step Wall: 3491.68, 0.00299488/step, 3.18489 hours remaining, 207.921875 MB of memory in use. ENERGY: 1171600 755.1424 2084.4412 1920.6345 108.0847 -205600.7973 17435.8770 0.0000 0.0000 34376.2652 -148920.3522 300.2165 -183296.6174 -148827.4150 300.1824 -219.0234 -184.0758 557879.7971 -13.2358 -13.2246 PRESSURE: 1171800 92.4203 -98.7837 -203.935 -98.7842 76.3151 -176.886 -203.935 -176.886 -2.78683 GPRESSURE: 1171800 147.147 4.41403 -267.957 -98.7286 94.5327 -38.7917 -198.39 -294.842 29.3931 PRESSAVG: 1171800 -12.1818 -0.0546066 3.79546 -0.0545323 58.6582 -26.1533 3.79538 -26.1533 11.6784 GPRESSAVG: 1171800 -12.7173 0.198957 4.46382 0.95919 59.8773 -24.876 3.28092 -27.9409 11.1645 TIMING: 1171800 CPU: 3492.27, 0.00297374/step Wall: 3492.27, 0.00297374/step, 3.16225 hours remaining, 207.921875 MB of memory in use. ENERGY: 1171800 758.8143 2122.3814 1920.7109 109.3247 -206388.2914 17958.7295 0.0000 0.0000 34355.0256 -149163.3049 300.0310 -183518.3306 -149064.5502 300.2015 55.3162 90.3577 556731.2288 19.3849 19.4415 PRESSURE: 1172000 -82.0348 94.3583 -103.552 94.3589 157.97 275.38 -103.553 275.38 267.103 GPRESSURE: 1172000 -80.3315 7.68185 -127.746 69.7165 197.875 363.36 -21.0185 136.248 328.44 PRESSAVG: 1172000 -0.603119 33.5956 -53.9099 33.5956 23.4724 -12.0978 -53.9099 -12.0978 8.62257 GPRESSAVG: 1172000 -1.79675 33.9558 -53.6361 33.0446 23.3169 -11.7096 -54.2984 -11.3093 10.0528 TIMING: 1172000 CPU: 3492.87, 0.00299924/step Wall: 3492.87, 0.00299924/step, 3.18919 hours remaining, 207.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1172000 770.4733 2090.0197 1904.0399 118.8815 -206396.1019 18003.0120 0.0000 0.0000 34376.5640 -149133.1115 300.2191 -183509.6755 -149035.0649 299.7866 114.3461 148.6611 557487.6286 10.4973 10.5243 PRESSURE: 1172200 98.1492 43.9611 -22.543 43.9616 -98.1399 -74.4431 -22.5413 -74.4414 91.6543 GPRESSURE: 1172200 141.776 -11.0174 10.2574 37.2661 -67.5033 -71.5478 -55.0468 -127.816 124.383 PRESSAVG: 1172200 -47.9458 -45.0503 -58.4879 -45.0502 35.1057 18.5591 -58.4879 18.5592 35.9001 GPRESSAVG: 1172200 -48.3357 -44.1449 -56.7387 -47.3278 35.7391 17.2277 -56.2295 17.8344 35.5233 TIMING: 1172200 CPU: 3493.47, 0.00300174/step Wall: 3493.47, 0.00300174/step, 3.19168 hours remaining, 207.921875 MB of memory in use. ENERGY: 1172200 753.6598 2133.6548 1912.4257 123.3039 -206660.9590 18129.4147 0.0000 0.0000 34327.3959 -149281.1043 299.7897 -183608.5002 -149186.6201 299.1166 30.5545 66.2185 558580.3830 7.6867 7.6422 LDB: ============= START OF LOAD BALANCING ============== 3497.02 LDB: ============== END OF LOAD BALANCING =============== 3497.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3497.02 LDB: ============= START OF LOAD BALANCING ============== 3497.32 LDB: Largest compute 4773 load 0.027401 is 23.2% of average load 0.118103 LDB: Average compute 0.001716 is 1.5% of average load 0.118103 LDB: TIME 3497.33 LOAD: AVG 0.118103 MAX 0.209907 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.145 MB LDB: TIME 3497.33 LOAD: AVG 0.118103 MAX 0.209907 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.344 MB LDB: TIME 3497.33 LOAD: AVG 0.118103 MAX 0.209907 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.344 MB LDB: ============== END OF LOAD BALANCING =============== 3497.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3497.33 PRESSURE: 1172400 -8.84989 4.51445 -19.2956 4.51491 -219.757 27.7016 -19.2951 27.7013 -103.128 GPRESSURE: 1172400 37.6533 10.175 -37.9977 34.2829 -193.396 86.296 6.58145 -45.0465 -94.8515 PRESSAVG: 1172400 -8.9442 29.0617 -30.3434 29.0618 27.3094 32.6283 -30.3435 32.6281 10.996 GPRESSAVG: 1172400 -8.94149 29.0651 -32.2885 32.1122 26.5907 32.6425 -32.3122 34.0426 11.6857 TIMING: 1172400 CPU: 3494.08, 0.00304761/step Wall: 3494.08, 0.00304761/step, 3.24028 hours remaining, 208.562500 MB of memory in use. ENERGY: 1172400 805.3012 2121.3150 1927.5110 96.1885 -206064.5977 17674.4152 0.0000 0.0000 34073.3413 -149366.5254 297.5710 -183439.8668 -149269.8320 299.2623 -110.5784 -83.5313 556455.3489 9.7871 9.7783 PRESSURE: 1172600 -173.913 3.84689 150.224 3.84603 -223.769 -141.292 150.224 -141.294 -51.6277 GPRESSURE: 1172600 -163.26 57.1135 153.985 19.8716 -151.369 -158.511 179.433 -140.973 -27.0262 PRESSAVG: 1172600 -85.4284 -7.45164 -17.3552 -7.45153 53.4657 -21.7424 -17.3552 -21.7423 31.2898 GPRESSAVG: 1172600 -85.2034 -5.54563 -16.8786 -8.7314 53.6033 -20.856 -17.7408 -21.6433 30.9704 TIMING: 1172600 CPU: 3494.68, 0.00300405/step Wall: 3494.68, 0.00300405/step, 3.19381 hours remaining, 208.632812 MB of memory in use. ENERGY: 1172600 756.2898 2114.9404 1909.7810 122.3785 -206136.1472 17594.4998 0.0000 0.0000 34098.6387 -149539.6190 297.7919 -183638.2576 -149442.1702 299.1336 -149.7698 -113.8853 557055.3933 -0.2243 -0.2099 PRESSURE: 1172800 -266.764 -114.635 -81.1519 -114.636 281.135 121.18 -81.1521 121.181 5.20096 GPRESSURE: 1172800 -249.458 -109.784 -149.424 -23.2834 289.252 75.6525 -52.6753 174.051 75.1801 PRESSAVG: 1172800 -50.0115 70.5544 1.85837 70.5544 32.3796 -24.7697 1.85832 -24.7698 77.2152 GPRESSAVG: 1172800 -49.7482 68.6459 1.93228 68.7823 31.7485 -25.4875 1.75374 -22.7574 77.7602 TIMING: 1172800 CPU: 3495.29, 0.00302085/step Wall: 3495.29, 0.00302085/step, 3.2115 hours remaining, 208.632812 MB of memory in use. ENERGY: 1172800 753.4577 2108.2572 1895.5873 104.4985 -206275.3960 17786.8096 0.0000 0.0000 34276.2944 -149350.4913 299.3434 -183626.7857 -149248.9816 298.5875 6.5240 38.3247 557228.6669 19.8611 19.9201 PRESSURE: 1173000 -113.098 -4.97969 -94.0246 -4.97956 20.6175 -272.613 -94.0243 -272.613 -43.4496 GPRESSURE: 1173000 -88.3449 52.0005 -57.9942 -88.0597 87.1461 -326.239 -133.245 -224.758 -33.2255 PRESSAVG: 1173000 -35.3098 -34.2438 -9.83013 -34.2438 18.4759 -25.883 -9.8302 -25.883 54.2123 GPRESSAVG: 1173000 -35.3927 -34.8056 -11.9346 -33.0282 19.5038 -24.4334 -6.92022 -28.9683 54.1036 TIMING: 1173000 CPU: 3495.88, 0.00297217/step Wall: 3495.88, 0.00297217/step, 3.15958 hours remaining, 208.632812 MB of memory in use. ENERGY: 1173000 742.2922 2070.3530 1913.0791 121.8595 -206392.6073 17916.8177 0.0000 0.0000 34311.3787 -149316.8273 299.6498 -183628.2059 -149226.5746 299.3376 -45.3101 -11.4748 557943.7532 12.4595 12.7383 PRESSURE: 1173200 57.408 89.2415 -24.3078 89.2417 32.5885 -128.368 -24.308 -128.37 116.047 GPRESSURE: 1173200 128.608 158.28 41.2005 7.64697 63.3324 -66.1997 -19.1038 -94.6477 108.468 PRESSAVG: 1173200 -20.0985 -18.4524 -40.5083 -18.4523 -14.5149 -38.146 -40.5083 -38.146 25.2906 GPRESSAVG: 1173200 -19.6104 -17.1678 -39.6789 -18.6539 -14.8989 -40.2139 -43.6242 -36.3788 25.2876 TIMING: 1173200 CPU: 3496.48, 0.00297737/step Wall: 3496.48, 0.00297737/step, 3.16494 hours remaining, 208.632812 MB of memory in use. ENERGY: 1173200 759.1457 2094.5639 1902.2441 120.8803 -206563.8251 18085.7089 0.0000 0.0000 34293.4487 -149307.8334 299.4932 -183601.2822 -149208.5850 299.5995 68.6810 100.1363 557555.0896 -3.1076 -3.0739 PRESSURE: 1173400 -44.6065 -32.7005 -76.3138 -32.6999 -378.986 -140.732 -76.3127 -140.733 -128.801 GPRESSURE: 1173400 -57.0593 -12.567 6.40174 -57.5302 -288.696 -151.257 -119.145 -103.812 -110.379 PRESSAVG: 1173400 -19.3162 7.54015 -14.4671 7.54011 44.1724 5.13003 -14.4671 5.13002 -33.1982 GPRESSAVG: 1173400 -19.7838 3.8107 -16.2459 8.93661 44.4987 4.36251 -12.3089 4.81759 -32.9107 TIMING: 1173400 CPU: 3497.07, 0.00297184/step Wall: 3497.07, 0.00297184/step, 3.1589 hours remaining, 208.632812 MB of memory in use. ENERGY: 1173400 758.0083 2115.3323 1910.2673 113.7549 -205950.7346 17664.0361 0.0000 0.0000 34198.5747 -149190.7610 298.6647 -183389.3357 -149095.3220 299.5777 -184.1312 -152.0448 559261.2152 -2.7807 -2.7319 PRESSURE: 1173600 19.2643 55.3993 176.177 55.3994 -9.94406 -93.9039 176.176 -93.9055 40.3515 GPRESSURE: 1173600 -1.30859 49.7548 75.0187 -18.4592 14.3121 -62.9451 216.335 -211.499 123.832 PRESSAVG: 1173600 -52.5204 16.0972 -6.25516 16.0972 38.2829 -38.1969 -6.25518 -38.1969 30.7334 GPRESSAVG: 1173600 -53.1293 18.7305 -7.04463 15.2268 38.813 -36.7781 -6.44983 -40.1242 30.7875 TIMING: 1173600 CPU: 3497.68, 0.00301363/step Wall: 3497.68, 0.00301363/step, 3.20316 hours remaining, 208.632812 MB of memory in use. ENERGY: 1173600 770.6760 2107.5367 1948.0086 117.9453 -205878.6125 17669.3186 0.0000 0.0000 34061.8715 -149203.2558 297.4708 -183265.1273 -149113.1137 299.2502 16.5572 45.6120 556242.2672 5.4987 5.4904 PRESSURE: 1173800 -18.1082 -181.465 -15.0683 -181.464 51.1484 72.4134 -15.0678 72.4118 -18.6334 GPRESSURE: 1173800 68.7305 -113.625 -41.5113 -169.387 29.4494 92.2475 -24.3297 55.0693 11.6957 PRESSAVG: 1173800 14.0691 -4.69698 69.3977 -4.69704 -3.13541 -32.4697 69.3977 -32.4697 -1.13821 GPRESSAVG: 1173800 15.1822 -5.33889 69.5767 -2.76619 -3.8514 -32.4296 69.4347 -32.7028 -1.12604 TIMING: 1173800 CPU: 3498.28, 0.00300152/step Wall: 3498.28, 0.00300152/step, 3.19011 hours remaining, 208.632812 MB of memory in use. ENERGY: 1173800 717.8267 2100.4143 1904.3484 103.6098 -206171.9650 17763.9090 0.0000 0.0000 34367.5860 -149214.2707 300.1407 -183581.8567 -149126.9249 300.0261 4.8023 36.6252 556271.6141 3.2652 3.4016 PRESSURE: 1174000 -183.959 24.3268 40.1063 24.3269 -141.726 115.262 40.1063 115.26 -214.118 GPRESSURE: 1174000 -215.609 -52.2292 78.9215 48.9324 -36.1607 140.69 100.081 10.0296 -190.716 PRESSAVG: 1174000 -50.2303 -16.3022 13.4312 -16.3021 94.8542 -11.1834 13.4311 -11.1833 2.54789 GPRESSAVG: 1174000 -50.4472 -17.3731 15.2196 -18.361 96.0125 -13.363 11.2773 -11.5338 1.91081 TIMING: 1174000 CPU: 3498.88, 0.00302359/step Wall: 3498.88, 0.00302359/step, 3.21341 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1174000 764.7298 2029.1621 1927.3652 106.0166 -206325.6740 17797.6860 0.0000 0.0000 34383.2957 -149317.4187 300.2779 -183700.7144 -149221.1033 299.9838 -179.9344 -147.4949 555520.2064 15.7239 15.8254 PRESSURE: 1174200 79.6812 -88.6312 243.626 -88.6312 37.1511 88.8256 243.627 88.8267 162.071 GPRESSURE: 1174200 116.203 -43.1598 277.396 -82.3547 88.3229 80.3862 164.594 79.1302 178.866 PRESSAVG: 1174200 29.5838 3.25016 -3.62808 3.25009 60.6738 13.9228 -3.62805 13.9228 -35.9197 GPRESSAVG: 1174200 31.3612 5.44349 -5.48643 3.25032 59.234 15.9041 -1.11326 15.6541 -35.9521 TIMING: 1174200 CPU: 3499.48, 0.00300252/step Wall: 3499.48, 0.00300252/step, 3.19085 hours remaining, 208.632812 MB of memory in use. ENERGY: 1174200 799.9023 2042.6476 1938.9880 124.9226 -206353.1104 17945.7402 0.0000 0.0000 34243.7476 -149257.1621 299.0592 -183500.9097 -149164.2424 300.3697 92.9677 127.7973 556782.6871 18.1126 18.2144 PRESSURE: 1174400 -208.843 4.56263 6.96394 4.56352 -82.0782 132.668 6.96355 132.668 -167.187 GPRESSURE: 1174400 -143.411 80.4522 72.1297 -49.8438 -76.32 271.806 22.522 95.2191 -143.306 PRESSAVG: 1174400 -13.2802 -38.1807 -3.66029 -38.1807 46.4719 20.4533 -3.66021 20.4533 -18.1762 GPRESSAVG: 1174400 -14.5366 -39.8842 -1.81546 -37.2631 46.9684 19.2435 -6.33783 21.7684 -16.9408 TIMING: 1174400 CPU: 3500.08, 0.00299209/step Wall: 3500.08, 0.00299208/step, 3.17959 hours remaining, 208.632812 MB of memory in use. ENERGY: 1174400 754.9443 2106.2366 1907.7544 117.0941 -205856.4859 17526.3658 0.0000 0.0000 34203.9618 -149240.1290 298.7117 -183444.0907 -149145.5912 299.7591 -152.7025 -121.0121 557589.0892 5.0052 5.1637 PRESSURE: 1174600 -153.426 7.66886 55.9256 7.66895 220.704 -46.0305 55.9256 -46.0287 96.5595 GPRESSURE: 1174600 -36.5587 3.1676 15.4933 0.468066 222.605 38.9532 96.1779 -20.7582 96.8069 PRESSAVG: 1174600 38.2454 -49.8264 40.6135 -49.8263 -3.41678 77.5015 40.6135 77.5014 -34.0895 GPRESSAVG: 1174600 37.0439 -48.936 38.6381 -51.8308 -3.05883 78.6053 42.7898 76.8944 -33.603 TIMING: 1174600 CPU: 3500.68, 0.00299443/step Wall: 3500.68, 0.00299444/step, 3.18192 hours remaining, 208.632812 MB of memory in use. ENERGY: 1174600 763.6616 2175.3862 1913.8328 119.1998 -206088.3506 17848.2753 0.0000 0.0000 34215.4785 -149052.5163 298.8123 -183267.9948 -148957.0916 300.3152 54.6125 94.2845 557687.9396 0.2464 0.1274 PRESSURE: 1174800 -231.304 162.194 228.036 162.193 -65.6047 -42.7835 228.037 -42.7826 -294.814 GPRESSURE: 1174800 -133.397 126.282 203.23 142.587 -78.369 -84.556 170.785 130.795 -275.651 PRESSAVG: 1174800 -56.7145 10.9099 -0.109894 10.9099 55.8517 -12.3681 -0.109853 -12.3681 28.5157 GPRESSAVG: 1174800 -55.5848 10.7107 1.73255 11.9301 54.9642 -12.7975 -2.16263 -11.8864 28.1581 TIMING: 1174800 CPU: 3501.28, 0.00300069/step Wall: 3501.28, 0.00300069/step, 3.1884 hours remaining, 208.632812 MB of memory in use. ENERGY: 1174800 759.5354 2082.5323 1919.1116 113.3954 -205893.7459 17573.4789 0.0000 0.0000 34332.9229 -149112.7695 299.8380 -183445.6923 -149015.0373 300.0299 -197.2410 -162.4725 558306.4062 9.2176 9.1792 PRESSURE: 1175000 162.912 10.4265 258.059 10.4262 -34.2879 -179.495 258.06 -179.496 -137.424 GPRESSURE: 1175000 160.155 43.7202 286.135 60.1779 -48.7496 -252.372 207.454 -149.223 -21.8847 PRESSAVG: 1175000 111.226 16.7651 -9.91184 16.7651 -102.204 43.2755 -9.91183 43.2755 24.5442 GPRESSAVG: 1175000 111.137 17.3016 -10.1859 16.3517 -101.49 42.7879 -9.931 42.1331 23.6818 TIMING: 1175000 CPU: 3501.88, 0.00301186/step Wall: 3501.88, 0.00301186/step, 3.2001 hours remaining, 208.632812 MB of memory in use. ENERGY: 1175000 809.3158 2139.7288 1918.8814 108.0393 -206030.8968 17787.2180 0.0000 0.0000 34260.6459 -149007.0678 299.2067 -183267.7137 -148911.0714 299.9758 -2.9334 29.8402 556595.7419 11.1887 11.1096 PRESSURE: 1175200 -53.7207 158.298 11.6557 158.298 -0.72591 -90.3249 11.6542 -90.3234 11.6054 GPRESSURE: 1175200 -55.9989 182.113 -3.415 128.338 50.0497 -30.7523 37.0099 -7.22283 64.2229 PRESSAVG: 1175200 47.9248 40.1987 -5.88474 40.1988 -10.4849 -28.8317 -5.88475 -28.8318 27.1309 GPRESSAVG: 1175200 47.6166 41.4565 -3.67258 41.5639 -10.4391 -27.4326 -5.85218 -28.8632 27.9567 TIMING: 1175200 CPU: 3502.48, 0.00299792/step Wall: 3502.48, 0.00299792/step, 3.18513 hours remaining, 208.632812 MB of memory in use. ENERGY: 1175200 725.8397 2137.1528 1917.3847 114.7849 -205841.9879 17579.9032 0.0000 0.0000 34150.8771 -149216.0455 298.2481 -183366.9226 -149123.0241 299.3028 -14.2804 19.4246 556541.1651 21.5236 21.7114 PRESSURE: 1175400 -272.368 41.207 -5.46905 41.2071 -246.669 -96.7532 -5.46964 -96.7538 20.7745 GPRESSURE: 1175400 -252.966 103.606 -103.764 56.4953 -190.51 -40.8621 -39.9164 -117.842 55.2867 PRESSAVG: 1175400 16.6912 22.8279 28.3817 22.828 -53.9999 -21.2603 28.3818 -21.2603 10.3613 GPRESSAVG: 1175400 16.8824 22.4326 27.1388 22.5491 -53.4871 -22.6059 27.8655 -21.5133 9.86904 TIMING: 1175400 CPU: 3503.08, 0.0029764/step Wall: 3503.08, 0.0029764/step, 3.1621 hours remaining, 208.632812 MB of memory in use. ENERGY: 1175400 722.8199 2146.1313 1911.3775 111.6168 -206027.9906 17542.0085 0.0000 0.0000 34366.7122 -149227.3244 300.1330 -183594.0366 -149136.4043 299.4627 -166.0875 -129.3964 556672.4858 -8.9825 -8.9119 PRESSURE: 1175600 139.629 204.565 -32.9664 204.565 51.3356 106.014 -32.967 106.015 -433.506 GPRESSURE: 1175600 155.789 120.177 -3.76498 238.852 59.7859 158.871 -69.5035 96.1496 -370.552 PRESSAVG: 1175600 51.2166 39.2683 -22.4598 39.2683 -31.2832 2.4175 -22.4599 2.41756 6.39977 GPRESSAVG: 1175600 52.6713 37.0513 -23.2196 37.9469 -32.4067 1.22332 -19.5496 4.79223 6.70009 TIMING: 1175600 CPU: 3503.68, 0.00301459/step Wall: 3503.68, 0.00301459/step, 3.2025 hours remaining, 208.632812 MB of memory in use. ENERGY: 1175600 713.1548 2103.1843 1883.8944 113.1181 -206040.0836 17741.4013 0.0000 0.0000 34205.9095 -149279.4212 298.7287 -183485.3307 -149186.7937 299.6551 -80.8470 -51.6589 558581.3613 8.7777 8.9882 PRESSURE: 1175800 0.914764 -17.2468 -5.06746 -17.2464 -171.161 315.529 -5.06827 315.529 203.944 GPRESSURE: 1175800 12.3552 -65.8352 -27.4249 59.8121 -125.536 402.211 -18.4887 186.83 235.379 PRESSAVG: 1175800 82.345 34.6716 -14.8386 34.6715 -110.88 -8.89915 -14.8385 -8.89913 35.5006 GPRESSAVG: 1175800 81.2068 35.0555 -17.3044 35.4767 -110.126 -6.66602 -13.6585 -9.41662 35.6717 TIMING: 1175800 CPU: 3504.28, 0.00301422/step Wall: 3504.28, 0.00301422/step, 3.20194 hours remaining, 208.632812 MB of memory in use. ENERGY: 1175800 747.9065 2081.9186 1920.8108 104.7803 -206137.6845 17852.7550 0.0000 0.0000 34112.8645 -149316.6487 297.9161 -183429.5132 -149221.9016 299.1350 11.2325 40.7329 558898.8610 2.3219 2.2510 PRESSURE: 1176000 197.495 -128.446 -57.2164 -128.445 181.1 51.1765 -57.2155 51.1763 422.264 GPRESSURE: 1176000 184.156 -178.335 -113.226 -85.7176 230.189 37.2876 -44.1823 -1.81225 482.935 PRESSAVG: 1176000 -13.7839 54.2038 -18.1684 54.2037 -66.0643 22.126 -18.1683 22.126 82.8665 GPRESSAVG: 1176000 -13.5199 56.6484 -15.8429 53.8129 -67.7877 22.7542 -21.1231 18.4656 84.7365 TIMING: 1176000 CPU: 3504.88, 0.00298863/step Wall: 3504.88, 0.00298863/step, 3.17459 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1176000 759.4496 2065.3493 1913.0379 106.8518 -206765.1409 18266.9040 0.0000 0.0000 34243.6553 -149409.8929 299.0584 -183653.5482 -149317.1641 298.9635 266.9528 299.0933 556027.8802 1.0061 1.1430 PRESSURE: 1176200 -278.464 102.346 -75.1716 102.346 244.14 -163.974 -75.1713 -163.972 -121.982 GPRESSURE: 1176200 -256.703 82.5561 -33.6199 70.4432 299.677 -154.126 -110.595 -237.539 -108.696 PRESSAVG: 1176200 26.933 -23.8227 -19.0651 -23.8228 -25.8114 -9.10568 -19.0652 -9.10571 17.9353 GPRESSAVG: 1176200 25.5234 -26.1028 -18.9342 -22.6692 -24.8499 -10.0021 -19.8163 -5.45614 18.1338 TIMING: 1176200 CPU: 3505.47, 0.00297622/step Wall: 3505.47, 0.00297622/step, 3.16125 hours remaining, 208.632812 MB of memory in use. ENERGY: 1176200 736.2503 2052.3175 1938.0321 113.5622 -206113.1612 17657.8811 0.0000 0.0000 34392.8649 -149222.2533 300.3614 -183615.1182 -149123.2965 299.0751 -52.1018 -21.9072 556395.9959 6.3523 6.2691 LDB: ============= START OF LOAD BALANCING ============== 3509.02 LDB: ============== END OF LOAD BALANCING =============== 3509.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3509.03 LDB: ============= START OF LOAD BALANCING ============== 3509.33 LDB: Largest compute 4796 load 0.026239 is 22.2% of average load 0.118204 LDB: Average compute 0.001719 is 1.5% of average load 0.118204 LDB: TIME 3509.33 LOAD: AVG 0.118204 MAX 0.213342 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.508 MB LDB: TIME 3509.33 LOAD: AVG 0.118204 MAX 0.213342 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.508 MB LDB: TIME 3509.33 LOAD: AVG 0.118204 MAX 0.213342 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.508 MB LDB: ============== END OF LOAD BALANCING =============== 3509.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3509.34 PRESSURE: 1176400 -193.15 31.4593 27.7505 31.4595 -10.8414 34.3843 27.751 34.3839 20.5249 GPRESSURE: 1176400 -142.221 5.10735 2.54001 110.431 61.9787 61.8532 105.979 77.5244 -3.71662 PRESSAVG: 1176400 -36.1769 -3.14751 -10.6622 -3.14751 21.702 2.37125 -10.6622 2.37138 18.3246 GPRESSAVG: 1176400 -35.366 -4.23021 -11.2018 -2.96943 22.1391 -0.107099 -9.28364 1.15081 17.4518 TIMING: 1176400 CPU: 3506.09, 0.00305667/step Wall: 3506.09, 0.00305667/step, 3.24652 hours remaining, 205.996094 MB of memory in use. ENERGY: 1176400 760.6996 2086.7767 1918.6497 105.9847 -206309.7746 17818.3130 0.0000 0.0000 34350.5393 -149268.8116 299.9918 -183619.3509 -149180.7910 299.6162 -61.1555 -27.9865 557276.8274 1.2832 1.4083 PRESSURE: 1176600 107.059 -82.3959 -86.4508 -82.3958 129.361 -114.896 -86.4518 -114.895 -45.2622 GPRESSURE: 1176600 131.223 -50.6112 -63.1972 -90.4513 178.984 -75.8949 -63.2107 -117.959 -19.831 PRESSAVG: 1176600 -23.456 12.3639 9.21803 12.3639 -1.71178 3.03887 9.21789 3.03885 54.4129 GPRESSAVG: 1176600 -23.6975 12.7721 9.9405 12.8171 -2.93863 4.38148 8.53878 3.83677 55.449 TIMING: 1176600 CPU: 3506.68, 0.00299561/step Wall: 3506.68, 0.00299561/step, 3.1815 hours remaining, 205.996094 MB of memory in use. ENERGY: 1176600 768.0882 2126.5854 1920.8589 125.0581 -206521.8237 17961.8942 0.0000 0.0000 34288.4637 -149330.8752 299.4497 -183619.3389 -149239.0209 299.6482 63.7194 96.7918 556210.6763 9.7484 9.6043 PRESSURE: 1176800 -13.2226 -118.852 70.5394 -118.852 -63.135 18.8971 70.5386 18.8974 138.379 GPRESSURE: 1176800 5.07964 -92.6873 -12.1336 -148.433 -28.114 -1.13612 67.2737 -5.98623 178.91 PRESSAVG: 1176800 -20.2245 1.72207 27.1727 1.72203 10.303 34.4565 27.1726 34.4564 63.7553 GPRESSAVG: 1176800 -19.7159 3.62611 26.3205 0.644937 11.3935 32.7408 29.0438 34.3594 62.2015 TIMING: 1176800 CPU: 3507.28, 0.00300114/step Wall: 3507.28, 0.00300114/step, 3.18721 hours remaining, 205.996094 MB of memory in use. ENERGY: 1176800 755.6251 2031.4637 1938.3894 114.3091 -206323.0729 17885.6389 0.0000 0.0000 34065.4587 -149532.1879 297.5021 -183597.6466 -149426.1486 298.7249 20.6737 51.9586 556564.7019 17.9446 17.9597 PRESSURE: 1177000 -125.587 104.617 117.431 104.616 -53.8043 -20.223 117.431 -20.2221 -100.287 GPRESSURE: 1177000 -97.4593 95.1742 60.8963 83.9191 -24.4214 -32.4271 132.48 -10.2062 -65.4389 PRESSAVG: 1177000 -34.0662 51.7003 -4.54739 51.7004 8.40571 -20.7654 -4.54735 -20.7653 58.6992 GPRESSAVG: 1177000 -34.0436 50.7626 -3.74388 52.5201 7.27035 -18.4707 -5.64739 -21.8481 59.9057 TIMING: 1177000 CPU: 3507.88, 0.00296308/step Wall: 3507.88, 0.00296308/step, 3.14662 hours remaining, 205.996094 MB of memory in use. ENERGY: 1177000 712.7342 2077.8362 1920.3782 111.4588 -206454.0642 17744.2146 0.0000 0.0000 34520.9288 -149366.5133 301.4799 -183887.4421 -149271.0727 299.0161 -93.2262 -62.4399 559177.6920 11.0129 11.0442 PRESSURE: 1177200 24.0145 75.9022 -14.5922 75.9029 -112.399 -23.3713 -14.5916 -23.3719 -61.5612 GPRESSURE: 1177200 24.6398 114.29 -58.3099 51.9126 -104.084 -82.367 -14.1666 25.9663 23.5064 PRESSAVG: 1177200 2.03123 -12.7916 -39.5334 -12.7916 -56.6198 -20.3235 -39.5334 -20.3234 40.7345 GPRESSAVG: 1177200 0.528695 -9.94233 -40.6981 -13.6197 -55.0601 -20.9623 -38.7683 -19.9605 40.9466 TIMING: 1177200 CPU: 3508.47, 0.00297274/step Wall: 3508.47, 0.00297274/step, 3.15672 hours remaining, 205.996094 MB of memory in use. ENERGY: 1177200 741.0343 2073.7549 1922.5000 110.5399 -205798.6596 17537.5803 0.0000 0.0000 34271.3250 -149141.9252 299.3000 -183413.2501 -149042.8449 298.9472 -49.9820 -18.6458 558273.1089 -4.6180 -4.5283 PRESSURE: 1177400 -167.448 74.9503 109.36 74.9513 -76.4489 37.0241 109.361 37.0237 -116.777 GPRESSURE: 1177400 -158.359 61.5832 157.374 155.089 -24.0271 81.5536 114.015 16.5143 -63.8723 PRESSAVG: 1177400 -38.0562 49.3348 -40.4068 49.3348 0.899213 13.8441 -40.4068 13.8441 50.3529 GPRESSAVG: 1177400 -36.5381 47.0144 -39.4908 48.7275 -0.364415 13.6264 -40.8309 14.735 50.8591 TIMING: 1177400 CPU: 3509.07, 0.00297597/step Wall: 3509.07, 0.00297597/step, 3.15999 hours remaining, 205.996094 MB of memory in use. ENERGY: 1177400 742.9412 2073.0719 1892.7414 109.4814 -205967.1720 17510.5441 0.0000 0.0000 34419.1476 -149219.2444 300.5910 -183638.3920 -149116.3499 299.6684 -120.2249 -82.0863 557350.6447 4.3986 4.6522 PRESSURE: 1177600 -157.491 43.3069 -11.1479 43.3063 -129.832 -7.09666 -11.1466 -7.09767 -238.879 GPRESSURE: 1177600 -74.3751 65.4857 -86.1568 -15.8887 -199.554 -48.9838 30.7903 -18.614 -165.393 PRESSAVG: 1177600 72.5968 23.3107 30.7313 23.3106 54.9616 1.39508 30.7313 1.3951 -49.2306 GPRESSAVG: 1177600 73.2838 21.8949 28.9217 25.0995 54.4664 2.79384 31.0451 0.527078 -49.299 TIMING: 1177600 CPU: 3509.67, 0.00301916/step Wall: 3509.67, 0.00301916/step, 3.20568 hours remaining, 205.996094 MB of memory in use. ENERGY: 1177600 797.0134 2084.5587 1932.4936 120.0369 -206082.7033 17571.7616 0.0000 0.0000 34229.7544 -149347.0847 298.9370 -183576.8391 -149253.2830 299.3386 -175.4007 -146.4407 556276.1278 26.1093 26.1504 PRESSURE: 1177800 -5.90606 -78.3015 -93.6999 -78.3018 199.51 128.741 -93.6985 128.741 -109.634 GPRESSURE: 1177800 17.8447 -65.9842 -59.0508 -70.9536 252.656 106.484 -169.793 88.905 -77.4854 PRESSAVG: 1177800 38.2407 6.85014 -10.9187 6.85016 18.6394 -7.02303 -10.9187 -7.02301 -38.3685 GPRESSAVG: 1177800 36.8173 8.26081 -8.42424 5.60862 20.0213 -8.18416 -11.365 -5.73774 -38.0829 TIMING: 1177800 CPU: 3510.27, 0.00301286/step Wall: 3510.27, 0.00301286/step, 3.19882 hours remaining, 205.996094 MB of memory in use. ENERGY: 1177800 801.1053 2111.5916 1934.6373 106.3676 -206351.5636 17868.0358 0.0000 0.0000 34143.8173 -149386.0088 298.1864 -183529.8261 -149293.0736 299.2509 27.9902 64.3386 556761.3092 6.1705 6.2519 PRESSURE: 1178000 -50.5303 -9.43246 5.56513 -9.43217 188.067 -256.195 5.56462 -256.197 -83.0686 GPRESSURE: 1178000 -16.9507 -130.546 -86.1594 38.253 238.727 -262.725 47.5784 -239.202 -85.5592 PRESSAVG: 1178000 -23.5111 24.008 -24.1166 24.008 7.16346 -32.0274 -24.1165 -32.0274 -5.47516 GPRESSAVG: 1178000 -21.8392 23.966 -23.901 23.1163 5.869 -31.4801 -23.6296 -33.1969 -6.02382 TIMING: 1178000 CPU: 3510.87, 0.00299648/step Wall: 3510.87, 0.00299648/step, 3.18126 hours remaining, 205.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1178000 762.5637 2142.3373 1925.3427 111.7551 -206137.8756 17706.5187 0.0000 0.0000 34088.5350 -149400.8230 297.7037 -183489.3580 -149309.5373 299.0611 18.1559 45.4057 555630.9313 -7.2743 -7.3313 PRESSURE: 1178200 266.366 -144.878 -63.8611 -144.879 -41.605 -65.8872 -63.8608 -65.8883 70.5023 GPRESSURE: 1178200 311.53 -36.6163 -7.17285 -129.457 -40.3567 24.5131 -78.3815 -106.447 115.308 PRESSAVG: 1178200 -19.771 47.2565 -29.2239 47.2566 -65.5431 -11.8231 -29.2239 -11.8231 30.715 GPRESSAVG: 1178200 -20.8579 48.1883 -29.4525 47.9778 -64.3325 -14.0248 -28.791 -9.39787 30.6359 TIMING: 1178200 CPU: 3511.48, 0.00301078/step Wall: 3511.48, 0.00301078/step, 3.19628 hours remaining, 205.996094 MB of memory in use. ENERGY: 1178200 743.3344 2080.1004 1895.4625 114.3250 -206731.2586 17984.0864 0.0000 0.0000 34424.4763 -149489.4736 300.6375 -183913.9499 -149389.1502 299.3363 98.4211 128.8273 555590.2601 -18.1997 -18.1848 PRESSURE: 1178400 59.4785 69.4954 274.188 69.4944 248.092 155.811 274.189 155.811 133.289 GPRESSURE: 1178400 91.4343 74.1233 162.536 123.793 314.532 246.158 258.177 71.4508 144.493 PRESSAVG: 1178400 -9.19941 28.9652 10.7986 28.9652 9.85934 -6.98707 10.7986 -6.98703 9.9415 GPRESSAVG: 1178400 -9.77292 27.7545 12.1114 27.6551 8.86918 -5.506 9.77504 -9.51439 11.5496 TIMING: 1178400 CPU: 3512.07, 0.00298699/step Wall: 3512.07, 0.00298699/step, 3.17086 hours remaining, 205.996094 MB of memory in use. ENERGY: 1178400 768.8004 2084.3694 1908.2951 116.9518 -207018.0002 18317.4893 0.0000 0.0000 34306.8434 -149515.2509 299.6102 -183822.0942 -149421.9248 298.4347 146.9531 183.4862 556213.1191 3.5338 3.5486 PRESSURE: 1178600 3.72716 -9.1162 -122.898 -9.11656 -150.627 -137.643 -122.898 -137.642 -146.727 GPRESSURE: 1178600 61.0116 -76.6242 -127.846 88.5234 -174.325 -54.1779 -180.606 -169.713 -83.3158 PRESSAVG: 1178600 -8.17975 -24.3288 -48.6162 -24.3289 -15.6008 35.767 -48.6162 35.767 -1.75984 GPRESSAVG: 1178600 -7.56703 -24.965 -49.2991 -23.3555 -15.8878 34.7619 -47.3956 36.7383 -2.77307 TIMING: 1178600 CPU: 3512.67, 0.00301005/step Wall: 3512.67, 0.00301005/step, 3.19517 hours remaining, 205.996094 MB of memory in use. ENERGY: 1178600 739.7224 2036.5331 1922.6710 112.0476 -206311.0596 17770.6563 0.0000 0.0000 34205.0105 -149524.4187 298.7209 -183729.4292 -149428.2872 298.6199 -97.8755 -65.5431 557942.2292 -8.5135 -8.7426 PRESSURE: 1178800 -9.1394 -184.554 189.485 -184.553 58.7437 132.876 189.486 132.875 -5.6893 GPRESSURE: 1178800 62.1592 -129.08 212.026 -166.32 48.47 139.669 137.193 98.3205 26.4548 PRESSAVG: 1178800 -3.69189 -9.74464 -34.9724 -9.74471 43.0344 52.3901 -34.9724 52.3901 12.9033 GPRESSAVG: 1178800 -5.46179 -9.70072 -35.1475 -10.4966 44.2062 52.4406 -35.8442 51.3338 13.0872 TIMING: 1178800 CPU: 3513.28, 0.0030068/step Wall: 3513.28, 0.0030068/step, 3.19155 hours remaining, 205.996094 MB of memory in use. ENERGY: 1178800 741.9216 2040.1415 1959.0404 110.8410 -206128.2785 17675.7073 0.0000 0.0000 34139.3844 -149461.2425 298.1477 -183600.6269 -149368.2413 298.6513 14.6383 45.6946 555694.1752 17.4153 17.2772 PRESSURE: 1179000 274.927 181.36 -30.4234 181.361 -74.5628 -83.4904 -30.4243 -83.4902 132.018 GPRESSURE: 1179000 255.278 234.48 -16.0314 136.888 -33.0911 -118.2 -84.1498 -2.46108 214.581 PRESSAVG: 1179000 -16.1314 -7.16835 -35.0716 -7.16833 25.455 29.3987 -35.0716 29.3986 -2.0173 GPRESSAVG: 1179000 -14.107 -6.0014 -35.8111 -5.67601 24.4164 28.8191 -33.3509 31.1488 -2.44038 TIMING: 1179000 CPU: 3513.88, 0.00300909/step Wall: 3513.88, 0.00300909/step, 3.19382 hours remaining, 205.996094 MB of memory in use. ENERGY: 1179000 744.9084 2076.2190 1932.4775 94.4982 -206393.4613 17932.6260 0.0000 0.0000 34181.5424 -149431.1899 298.5159 -183612.7323 -149330.2802 299.2760 110.7938 145.5894 555392.8580 2.4354 2.6230 PRESSURE: 1179200 -180.404 64.1267 38.8446 64.1273 65.211 117.964 38.8455 117.962 134.95 GPRESSURE: 1179200 -86.4721 28.6237 32.6571 47.5309 69.2746 106.281 93.9701 57.0476 131.784 PRESSAVG: 1179200 11.8459 -2.9991 -16.9908 -2.99907 9.73145 -67.4573 -16.9909 -67.4573 -31.2371 GPRESSAVG: 1179200 11.4359 -2.13015 -16.6934 -5.93876 10.5387 -63.8026 -18.1787 -69.1141 -31.191 TIMING: 1179200 CPU: 3514.48, 0.0029987/step Wall: 3514.48, 0.0029987/step, 3.18262 hours remaining, 205.996094 MB of memory in use. ENERGY: 1179200 725.0000 2065.7549 1918.0672 99.0123 -206238.9998 17740.2884 0.0000 0.0000 34234.1444 -149456.7327 298.9753 -183690.8771 -149366.0136 299.0190 6.5859 38.1954 556483.0343 -3.2199 -3.0721 PRESSURE: 1179400 123.47 -64.3301 0.976423 -64.3297 119.008 97.9347 0.976109 97.9345 53.0914 GPRESSURE: 1179400 70.7624 -39.94 -3.83132 -91.5754 209.412 28.7301 29.9814 148.756 103.202 PRESSAVG: 1179400 48.1524 5.91221 -15.6356 5.9123 -31.6629 17.5299 -15.6356 17.5299 -17.0756 GPRESSAVG: 1179400 47.9551 4.73022 -15.7805 7.08699 -32.9645 13.6995 -14.9233 21.2556 -15.9141 TIMING: 1179400 CPU: 3515.07, 0.00297587/step Wall: 3515.07, 0.00297587/step, 3.15823 hours remaining, 205.996094 MB of memory in use. ENERGY: 1179400 716.7358 1972.3066 1933.6574 97.6078 -206414.8906 18012.2726 0.0000 0.0000 34378.8463 -149303.4640 300.2390 -183682.3103 -149209.2853 299.3302 98.5232 127.7924 558302.0135 -0.1954 -0.3078 PRESSURE: 1179600 160.49 64.7653 -44.4465 64.7666 63.0067 39.059 -44.4456 39.0598 -105.74 GPRESSURE: 1179600 148.305 132.836 23.1249 18.8143 112.434 -4.27119 -86.1311 57.0971 -42.6602 PRESSAVG: 1179600 -2.25445 18.823 -31.0347 18.8229 23.4464 19.7297 -31.0347 19.7298 -33.5239 GPRESSAVG: 1179600 -1.93371 18.0735 -33.4999 20.0955 24.3489 20.8602 -32.9723 15.1493 -34.3716 TIMING: 1179600 CPU: 3515.67, 0.00299639/step Wall: 3515.67, 0.00299639/step, 3.17984 hours remaining, 205.996094 MB of memory in use. ENERGY: 1179600 753.6265 2077.5832 1919.8335 103.5921 -206484.3872 18043.2774 0.0000 0.0000 34260.0390 -149326.4354 299.2014 -183586.4745 -149238.7038 299.6203 39.2523 72.6928 558036.3327 -4.1106 -3.9855 PRESSURE: 1179800 -134.214 96.9721 -75.9893 96.9727 118.192 -117.632 -75.9873 -117.63 -3.49157 GPRESSURE: 1179800 -130.622 126.533 -62.5564 33.6717 195.262 -137.938 -122.852 -165.723 7.63115 PRESSAVG: 1179800 25.1314 14.9632 17.2055 14.9632 50.3465 -35.5147 17.2054 -35.5148 -51.6812 GPRESSAVG: 1179800 25.5544 15.2592 17.0321 14.0448 50.8861 -34.0807 19.855 -36.6949 -53.0833 TIMING: 1179800 CPU: 3516.27, 0.00300979/step Wall: 3516.27, 0.00300979/step, 3.19389 hours remaining, 205.996094 MB of memory in use. ENERGY: 1179800 752.7782 2097.5085 1957.1491 114.5890 -206145.7536 17796.1726 0.0000 0.0000 34334.5551 -149093.0010 299.8522 -183427.5561 -148995.0418 299.3635 -6.5045 24.0905 558330.3690 7.9322 7.7857 PRESSURE: 1180000 219.33 55.6894 83.6955 55.6906 -141.139 -158.874 83.6948 -158.874 18.9265 GPRESSURE: 1180000 245.036 15.8497 129.033 48.8675 -71.0861 -101.159 -1.3881 -126.545 30.8763 PRESSAVG: 1180000 9.18362 40.6533 29.76 40.6534 -8.08926 -4.7536 29.76 -4.7537 -7.71807 GPRESSAVG: 1180000 8.63566 41.2967 29.9879 40.8778 -8.59369 -5.47559 27.9272 -2.57962 -6.66647 TIMING: 1180000 CPU: 3516.88, 0.00300793/step Wall: 3516.88, 0.00300793/step, 3.19175 hours remaining, 205.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1180000 725.0117 2084.4159 1946.4464 123.7481 -206121.7108 17852.1316 0.0000 0.0000 34296.5893 -149093.3679 299.5206 -183389.9572 -148995.5760 300.1880 32.3725 68.2753 558237.1984 -2.2079 -2.2082 PRESSURE: 1180200 -130.582 6.45212 -82.486 6.45313 35.9141 -49.3604 -82.4861 -49.3614 -116.928 GPRESSURE: 1180200 -91.524 89.8138 -123.634 -23.8004 72.8658 -55.2632 -103.564 -29.233 -97.3487 PRESSAVG: 1180200 -27.2793 -23.5554 25.2915 -23.5554 45.8025 30.4887 25.2914 30.4887 -5.55719 GPRESSAVG: 1180200 -27.2118 -21.5276 27.263 -23.9259 47.3373 31.4287 26.1026 30.4998 -6.68681 TIMING: 1180200 CPU: 3517.48, 0.00302562/step Wall: 3517.48, 0.00302562/step, 3.21035 hours remaining, 205.996094 MB of memory in use. ENERGY: 1180200 747.1100 2085.3673 1948.7270 116.2307 -206236.2208 17880.1103 0.0000 0.0000 34412.7017 -149045.9737 300.5347 -183458.6754 -148947.0345 299.4231 -70.5319 -38.6690 557680.9133 4.3220 4.4796 LDB: ============= START OF LOAD BALANCING ============== 3521.03 LDB: ============== END OF LOAD BALANCING =============== 3521.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3521.03 LDB: ============= START OF LOAD BALANCING ============== 3521.33 LDB: Largest compute 4796 load 0.027258 is 23.1% of average load 0.118184 LDB: Average compute 0.001713 is 1.4% of average load 0.118184 LDB: TIME 3521.33 LOAD: AVG 0.118184 MAX 0.211483 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.996 MB LDB: TIME 3521.34 LOAD: AVG 0.118184 MAX 0.211483 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.996 MB LDB: TIME 3521.34 LOAD: AVG 0.118184 MAX 0.211483 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.996 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3521.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3521.34 PRESSURE: 1180400 3.27358 14.2451 138.517 14.2444 -50.9825 -100.851 138.517 -100.853 20.6455 GPRESSURE: 1180400 13.9797 58.6437 160.326 -16.9347 -2.995 -98.5705 140.575 -36.8738 55.0326 PRESSAVG: 1180400 -9.39644 10.6864 42.1203 10.6864 -18.2666 2.40852 42.1203 2.40836 -8.95636 GPRESSAVG: 1180400 -8.83103 8.48155 40.6875 8.09728 -18.8542 1.42589 42.7073 2.97137 -8.72627 TIMING: 1180400 CPU: 3518.09, 0.00305437/step Wall: 3518.09, 0.00305437/step, 3.24068 hours remaining, 206.507812 MB of memory in use. ENERGY: 1180400 744.2584 2109.5679 1931.6945 113.8720 -206546.9352 17928.1441 0.0000 0.0000 34532.8800 -149186.5183 301.5842 -183719.3983 -149090.0527 299.4022 -9.0211 22.0058 557849.1404 -12.2065 -12.1372 PRESSURE: 1180600 -124.647 68.3757 57.7866 68.375 -50.8169 -12.6635 57.7855 -12.6645 -221.772 GPRESSURE: 1180600 -72.9019 6.44787 -27.5701 49.7282 1.42478 -94.6999 63.1069 17.8589 -221.096 PRESSAVG: 1180600 25.6368 56.3691 0.476675 56.3691 -0.438702 49.5923 0.476695 49.5923 -23.8341 GPRESSAVG: 1180600 26.8819 57.3156 0.754714 59.6139 -1.13038 48.072 0.364312 50.6812 -24.095 TIMING: 1180600 CPU: 3518.69, 0.00296932/step Wall: 3518.69, 0.00296932/step, 3.15028 hours remaining, 206.507812 MB of memory in use. ENERGY: 1180600 730.6674 2103.7856 1932.7702 110.7704 -205777.8863 17443.8886 0.0000 0.0000 34402.9708 -149053.0332 300.4497 -183456.0039 -148954.6661 299.5852 -132.4118 -97.5242 559005.1817 0.4547 0.5522 PRESSURE: 1180800 -93.7497 56.1069 168.759 56.1047 -111.798 73.8754 168.757 73.8744 -94.9011 GPRESSURE: 1180800 -109.981 106.837 89.2289 26.0857 -94.4738 194.658 201.547 103.742 -7.23085 PRESSAVG: 1180800 -67.2353 44.8726 38.6857 44.8725 86.4287 53.2492 38.6857 53.2492 10.3375 GPRESSAVG: 1180800 -68.3424 42.9542 38.6109 46.4934 87.8398 54.6734 37.0901 53.0957 10.1302 TIMING: 1180800 CPU: 3519.28, 0.00297836/step Wall: 3519.28, 0.00297836/step, 3.15971 hours remaining, 206.507812 MB of memory in use. ENERGY: 1180800 741.7638 2101.7258 1968.6679 103.8314 -206225.9957 17651.8095 0.0000 0.0000 34349.9224 -149308.2750 299.9864 -183658.1974 -149208.0110 299.2336 -100.1496 -70.5618 557706.3278 9.8436 9.8759 PRESSURE: 1181000 -399.924 -131.665 38.2069 -131.666 32.0804 149.293 38.2062 149.292 -105.315 GPRESSURE: 1181000 -334.964 -100.214 43.6395 -130.941 48.7954 26.2539 56.8283 239.825 -93.3319 PRESSAVG: 1181000 -14.6345 18.1702 -2.58468 18.1703 -1.73458 11.1637 -2.58459 11.1637 -2.59932 GPRESSAVG: 1181000 -15.286 20.0909 -2.84141 16.186 -0.628586 11.7839 -1.98721 10.8251 -3.73446 TIMING: 1181000 CPU: 3519.88, 0.00299287/step Wall: 3519.88, 0.00299287/step, 3.17493 hours remaining, 206.507812 MB of memory in use. ENERGY: 1181000 819.6747 2114.4604 1939.6600 113.4950 -206387.6914 17785.2194 0.0000 0.0000 34370.8886 -149244.2933 300.1695 -183615.1819 -149148.4578 299.1277 -157.7194 -126.5002 558344.8075 -6.3228 -6.5497 PRESSURE: 1181200 -346.033 11.4196 35.6986 11.4203 -335.788 -114.758 35.6994 -114.759 -15.7159 GPRESSURE: 1181200 -341.224 84.6849 127.979 -41.6458 -243.116 -79.3873 23.8628 -128.308 -21.0875 PRESSAVG: 1181200 -25.3683 51.2754 -50.5336 51.2754 35.7363 21.4052 -50.5337 21.4053 -16.3229 GPRESSAVG: 1181200 -25.0302 50.1757 -50.8426 52.2162 33.8264 18.9577 -50.7975 21.2598 -15.1543 TIMING: 1181200 CPU: 3520.48, 0.0029925/step Wall: 3520.48, 0.0029925/step, 3.17437 hours remaining, 206.507812 MB of memory in use. ENERGY: 1181200 773.3452 2158.4026 1944.6107 116.8242 -205822.5706 17622.2214 0.0000 0.0000 33941.1591 -149266.0072 296.4166 -183207.1663 -149172.3887 299.3850 -232.5125 -201.8092 559270.1453 -1.9850 -2.1194 PRESSURE: 1181400 -175.402 144.85 -154.457 144.85 40.5509 -143.598 -154.457 -143.601 104.462 GPRESSURE: 1181400 -130.85 44.5451 -143.397 131.047 79.4296 -115.887 -84.1614 -99.3652 113.046 PRESSAVG: 1181400 -30.4004 3.54039 24.4153 3.54034 -19.4837 -43.5559 24.4153 -43.5559 54.8198 GPRESSAVG: 1181400 -29.8665 4.20688 24.3237 1.28644 -19.8054 -41.6466 24.6695 -43.9585 54.2316 TIMING: 1181400 CPU: 3521.08, 0.00298836/step Wall: 3521.08, 0.00298836/step, 3.16982 hours remaining, 206.507812 MB of memory in use. ENERGY: 1181400 767.8842 2081.9501 1872.2160 100.6747 -206701.0652 18186.3497 0.0000 0.0000 34287.0170 -149404.9734 299.4370 -183691.9905 -149315.5910 299.8468 -10.1295 20.5418 558446.3516 1.6452 1.5199 PRESSURE: 1181600 60.2682 -83.4935 -42.1244 -83.4936 -84.982 72.8813 -42.123 72.8808 -11.2453 GPRESSURE: 1181600 52.0533 -62.9782 -40.6113 -167.384 -28.4552 108.319 -58.0967 56.2276 31.723 PRESSAVG: 1181600 -31.9274 -39.372 0.180329 -39.372 14.6649 -22.0868 0.180378 -22.0867 23.3048 GPRESSAVG: 1181600 -33.56 -40.6163 -0.658062 -37.9008 15.4718 -23.0982 0.410521 -21.1602 24.1825 TIMING: 1181600 CPU: 3521.68, 0.0029969/step Wall: 3521.68, 0.0029969/step, 3.17872 hours remaining, 206.507812 MB of memory in use. ENERGY: 1181600 764.0684 2052.8837 1924.7346 115.5343 -206503.5523 17902.6966 0.0000 0.0000 34209.3614 -149534.2733 298.7589 -183743.6347 -149437.2438 298.5985 -11.9864 18.4404 557048.9424 2.0141 2.0314 PRESSURE: 1181800 106.528 24.4793 84.2209 24.48 -263.91 -47.1234 84.2219 -47.1231 57.5115 GPRESSURE: 1181800 154.457 59.1146 12.3189 -25.7174 -235.417 -3.11277 74.3067 -59.0916 84.003 PRESSAVG: 1181800 -66.3192 -40.6791 24.2624 -40.6791 -10.2848 46.7658 24.2624 46.7657 62.7898 GPRESSAVG: 1181800 -66.0492 -38.7441 25.9106 -42.6144 -11.4236 48.5195 22.4123 45.5256 63.4295 TIMING: 1181800 CPU: 3522.27, 0.00299169/step Wall: 3522.27, 0.00299169/step, 3.17302 hours remaining, 206.507812 MB of memory in use. ENERGY: 1181800 765.5056 2040.8547 1934.1110 115.3314 -206531.5017 18044.9095 0.0000 0.0000 34025.3281 -149605.4615 297.1517 -183630.7896 -149507.3497 298.1924 -33.2903 1.0143 558164.9549 -4.6047 -4.6811 PRESSURE: 1182000 -208.184 6.37155 15.0761 6.37257 90.743 61.8267 15.0745 61.8285 -96.5347 GPRESSURE: 1182000 -123.644 19.3275 36.9496 -45.9306 101.718 7.83387 -3.51938 120.252 -88.5688 PRESSAVG: 1182000 -94.3235 -1.2032 -12.1056 -1.20323 51.6625 -31.6017 -12.1056 -31.6019 46.3788 GPRESSAVG: 1182000 -94.4353 -2.16138 -11.1441 -0.444414 52.2946 -33.0084 -12.1028 -28.0034 45.5895 TIMING: 1182000 CPU: 3522.87, 0.00298973/step Wall: 3522.87, 0.00298973/step, 3.17078 hours remaining, 206.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1182000 698.8618 2077.4932 1912.8025 107.1716 -206539.2278 17868.8379 0.0000 0.0000 34090.3739 -149783.6870 297.7197 -183874.0609 -149683.4222 297.4622 -71.3254 -36.8316 557153.1234 1.2392 1.1496 PRESSURE: 1182200 44.6108 50.2194 42.2568 50.2193 -199.182 -27.025 42.2563 -27.0249 -115.998 GPRESSURE: 1182200 61.9053 44.7763 56.6842 57.9722 -125.043 28.7912 83.7304 -16.0781 -110.826 PRESSAVG: 1182200 -41.6364 62.4813 19.5179 62.4812 -18.6888 53.3842 19.518 53.3843 52.0396 GPRESSAVG: 1182200 -42.266 62.8638 16.3128 62.2667 -18.0981 54.8259 22.086 50.2734 51.9694 TIMING: 1182200 CPU: 3523.47, 0.00296977/step Wall: 3523.47, 0.00296977/step, 3.14944 hours remaining, 206.507812 MB of memory in use. ENERGY: 1182200 716.9267 2071.1612 1909.2630 99.1816 -206447.5076 17908.7227 0.0000 0.0000 34116.5661 -149625.6862 297.9485 -183742.2523 -149529.5709 297.9833 -90.1898 -57.9880 558029.9233 -2.7619 -2.7982 PRESSURE: 1182400 96.3977 -69.1157 -36.3547 -69.1155 43.5835 -126.657 -36.3556 -126.657 -79.4877 GPRESSURE: 1182400 147.649 -39.8567 -51.9221 -155.534 63.8194 -224.482 -98.0341 -110.162 -64.577 PRESSAVG: 1182400 7.94121 -15.9385 46.7535 -15.9384 -5.00143 11.0197 46.7535 11.0197 13.9892 GPRESSAVG: 1182400 9.58638 -16.1493 50.9473 -16.3647 -6.40238 9.34968 44.005 11.2029 13.8284 TIMING: 1182400 CPU: 3524.06, 0.00299803/step Wall: 3524.06, 0.00299803/step, 3.17925 hours remaining, 206.507812 MB of memory in use. ENERGY: 1182400 722.4287 2100.7742 1882.2271 96.8873 -206580.7374 18028.8870 0.0000 0.0000 34160.0952 -149589.4380 298.3286 -183749.5332 -149495.8914 298.2742 20.1645 48.9638 557637.0178 5.6430 5.6708 PRESSURE: 1182600 -70.4331 -23.687 131.889 -23.687 47.6977 -73.5876 131.89 -73.5874 70.9483 GPRESSURE: 1182600 -25.3248 -58.8809 32.0537 52.9434 75.5341 -53.6482 142.297 -149.896 109.074 PRESSAVG: 1182600 -49.5892 28.0978 -33.948 28.0979 37.4493 -45.2711 -33.948 -45.2712 -37.3659 GPRESSAVG: 1182600 -50.5684 28.9927 -35.8624 29.9057 37.5258 -42.7655 -32.5701 -45.8289 -36.6631 TIMING: 1182600 CPU: 3524.67, 0.00301654/step Wall: 3524.67, 0.00301654/step, 3.19871 hours remaining, 206.507812 MB of memory in use. ENERGY: 1182600 774.1408 2135.5122 1905.7646 121.1600 -206724.5464 18026.5021 0.0000 0.0000 34255.5668 -149505.9000 299.1624 -183761.4668 -149420.0004 298.3769 16.0710 53.0946 557366.0742 -16.5019 -16.5685 PRESSURE: 1182800 116.079 -26.5601 -108.312 -26.5578 -253.996 33.9429 -108.312 33.9437 48.1576 GPRESSURE: 1182800 122.423 11.0028 -38.9283 -104.196 -206.36 -28.8076 -70.7972 78.6822 88.9711 PRESSAVG: 1182800 -43.0854 -50.8237 -39.4382 -50.8238 49.0128 4.88902 -39.4382 4.88913 10.2709 GPRESSAVG: 1182800 -41.981 -51.1905 -38.7375 -51.793 49.446 3.76036 -39.1812 4.57331 8.62956 TIMING: 1182800 CPU: 3525.26, 0.00296459/step Wall: 3525.26, 0.00296459/step, 3.14346 hours remaining, 206.507812 MB of memory in use. ENERGY: 1182800 726.0660 2163.3526 1930.1842 111.3458 -206087.6531 17715.0420 0.0000 0.0000 34095.2002 -149346.4622 297.7619 -183441.6624 -149259.4042 299.1204 -29.9200 1.6780 557348.4841 5.3994 5.3649 PRESSURE: 1183000 358.576 -2.76136 -36.3839 -2.76187 148.56 82.5062 -36.3839 82.5059 -79.7827 GPRESSURE: 1183000 358.358 -132.248 -121.553 41.3233 172.643 191.339 -29.1978 70.0937 -10.9759 PRESSAVG: 1183000 -13.3025 10.2692 -8.45347 10.2693 21.3682 -0.829621 -8.4535 -0.829677 32.6053 GPRESSAVG: 1183000 -13.4113 7.59451 -6.96473 10.3278 20.1775 -0.0847216 -8.99064 0.24402 33.6429 TIMING: 1183000 CPU: 3525.86, 0.0029985/step Wall: 3525.86, 0.0029985/step, 3.17924 hours remaining, 206.507812 MB of memory in use. ENERGY: 1183000 727.4320 2091.4279 1914.5489 112.1439 -206596.0340 18029.4420 0.0000 0.0000 34342.5320 -149378.5074 299.9219 -183721.0394 -149279.8767 298.7375 142.4511 173.3416 557424.0298 13.5570 13.4697 PRESSURE: 1183200 -350.202 151.152 -114.83 151.153 -221.125 -52.61 -114.829 -52.6099 -189.515 GPRESSURE: 1183200 -259.806 98.8633 -183.134 170.761 -218.87 -78.729 -200.047 -93.5644 -192.239 PRESSAVG: 1183200 -10.7759 -27.657 -16.6786 -27.6571 34.5787 -23.604 -16.6786 -23.6041 -13.7592 GPRESSAVG: 1183200 -11.5824 -25.5214 -17.3794 -28.4767 35.0998 -25.331 -16.4035 -24.0555 -14.3262 TIMING: 1183200 CPU: 3526.47, 0.00302427/step Wall: 3526.47, 0.00302427/step, 3.2064 hours remaining, 206.507812 MB of memory in use. ENERGY: 1183200 761.9687 2053.6052 1941.6001 116.9241 -206038.5390 17512.6293 0.0000 0.0000 34175.5165 -149476.2952 298.4633 -183651.8117 -149383.2860 298.9475 -253.6138 -223.6384 557315.0551 3.3479 3.0637 PRESSURE: 1183400 88.9745 74.5331 98.6205 74.5322 -204.247 54.8946 98.6208 54.8959 -176.876 GPRESSURE: 1183400 86.3439 97.6082 61.6555 96.1602 -119.56 108.466 134.497 -37.5319 -159.521 PRESSAVG: 1183400 48.2907 -23.335 2.03945 -23.3349 -30.1844 21.3187 2.03948 21.3187 -17.2824 GPRESSAVG: 1183400 47.8599 -22.5497 1.35032 -23.2583 -29.6162 20.1823 2.06631 21.1647 -17.6759 TIMING: 1183400 CPU: 3527.07, 0.00302216/step Wall: 3527.07, 0.00302216/step, 3.204 hours remaining, 206.507812 MB of memory in use. ENERGY: 1183400 757.6283 2104.3502 1906.8938 106.4431 -206295.3551 17636.5526 0.0000 0.0000 34288.9457 -149494.5414 299.4539 -183783.4872 -149402.5220 298.3164 -97.3829 -64.2458 556436.7122 0.2746 0.1892 PRESSURE: 1183600 107.001 80.9649 -35.1894 80.9645 76.7368 -4.5761 -35.1885 -4.57495 -150.807 GPRESSURE: 1183600 133.364 100.719 -3.11506 66.5956 98.58 36.8237 -64.2914 117.55 -111.322 PRESSAVG: 1183600 -15.7164 19.5551 2.53919 19.5551 27.6827 2.31816 2.53919 2.31818 6.8246 GPRESSAVG: 1183600 -14.9718 19.1542 0.872548 20.4596 27.4004 4.89866 2.45359 2.45568 6.15752 TIMING: 1183600 CPU: 3527.67, 0.00299068/step Wall: 3527.67, 0.00299067/step, 3.17045 hours remaining, 206.507812 MB of memory in use. ENERGY: 1183600 755.4361 2145.8843 1911.0426 122.4630 -206548.6661 17819.9382 0.0000 0.0000 34097.9516 -149695.9503 297.7859 -183793.9019 -149604.4489 298.2414 10.9769 40.2074 555735.6819 6.2636 6.1954 PRESSURE: 1183800 -106.957 62.3881 57.1668 62.3898 -151.717 -158.308 57.167 -158.307 -409.044 GPRESSURE: 1183800 -120.759 20.3938 83.6412 53.6412 -85.6624 -85.9122 22.2628 -136.67 -348.961 PRESSAVG: 1183800 34.0075 -14.5433 -16.1794 -14.5434 -72.3205 -10.0562 -16.1794 -10.0561 10.8072 GPRESSAVG: 1183800 33.5665 -14.1376 -14.3327 -15.3516 -71.5799 -11.319 -15.5966 -10.2534 10.7371 TIMING: 1183800 CPU: 3528.26, 0.00297153/step Wall: 3528.26, 0.00297153/step, 3.14999 hours remaining, 206.507812 MB of memory in use. ENERGY: 1183800 763.0771 2074.7938 1916.8568 116.8124 -205964.7179 17517.2995 0.0000 0.0000 34126.6998 -149449.1785 298.0370 -183575.8783 -149349.5988 298.6130 -222.5726 -185.1274 558488.4765 -9.1686 -9.0921 PRESSURE: 1184000 -48.1554 85.2048 318.945 85.2034 71.2777 -33.4915 318.946 -33.4922 -121.317 GPRESSURE: 1184000 8.4236 119.255 334.492 56.4271 75.7225 -41.7409 349.715 59.8967 -88.7333 PRESSAVG: 1184000 -21.547 4.05347 -8.49625 4.05348 -20.465 -37.2372 -8.49627 -37.2372 42.4006 GPRESSAVG: 1184000 -21.0534 4.80516 -9.64088 2.50626 -22.117 -37.2825 -9.82435 -37.4561 43.3984 TIMING: 1184000 CPU: 3528.85, 0.00295583/step Wall: 3528.85, 0.00295583/step, 3.13318 hours remaining, 206.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1184000 739.3052 2088.2610 1919.0321 110.9485 -206112.7478 17688.0444 0.0000 0.0000 34148.5098 -149418.6468 298.2274 -183567.1566 -149328.3757 299.1981 -32.7317 -1.5291 557237.1182 0.1295 0.0760 PRESSURE: 1184200 -140.41 -32.2919 83.8175 -32.2921 15.8419 -16.5506 83.8176 -16.551 -76.0135 GPRESSURE: 1184200 -126.716 -19.896 129.102 -100.002 -6.45502 28.1622 -3.07908 -42.2102 24.238 PRESSAVG: 1184200 -16.6291 -58.9986 8.27787 -58.9986 -37.5875 -44.8133 8.27787 -44.8131 42.7384 GPRESSAVG: 1184200 -17.5536 -59.8967 8.94595 -59.7096 -38.6273 -44.0939 9.54802 -43.5169 44.2642 TIMING: 1184200 CPU: 3529.45, 0.00297802/step Wall: 3529.45, 0.00297802/step, 3.15654 hours remaining, 206.507812 MB of memory in use. ENERGY: 1184200 707.4628 2102.3364 1946.0295 114.0559 -206451.0534 17673.6188 0.0000 0.0000 34289.0451 -149618.5049 299.4548 -183907.5500 -149524.3260 298.5555 -66.8604 -36.3110 556866.1946 -3.8261 -3.9722 LDB: ============= START OF LOAD BALANCING ============== 3533 LDB: ============== END OF LOAD BALANCING =============== 3533 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3533 LDB: ============= START OF LOAD BALANCING ============== 3533.3 LDB: Largest compute 4796 load 0.027211 is 23.0% of average load 0.118137 LDB: Average compute 0.001708 is 1.4% of average load 0.118137 LDB: TIME 3533.3 LOAD: AVG 0.118137 MAX 0.211618 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.277 MB LDB: TIME 3533.3 LOAD: AVG 0.118137 MAX 0.211618 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: TIME 3533.3 LOAD: AVG 0.118137 MAX 0.211618 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: ============== END OF LOAD BALANCING =============== 3533.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3533.31 PRESSURE: 1184400 -127.393 42.918 -86.8516 42.9176 -121.24 14.8298 -86.8514 14.8285 127.321 GPRESSURE: 1184400 -80.512 67.1757 -4.80994 44.811 -141.891 -31.7378 -75.6699 -0.903132 192.818 PRESSAVG: 1184400 7.38785 1.26217 2.99464 1.26222 -44.9371 31.4503 2.99461 31.4503 49.691 GPRESSAVG: 1184400 7.24195 0.0308272 4.29929 3.63003 -44.6313 30.1624 1.63626 30.6404 49.4353 TIMING: 1184400 CPU: 3530.06, 0.00303467/step Wall: 3530.06, 0.00303467/step, 3.21642 hours remaining, 207.019531 MB of memory in use. ENERGY: 1184400 762.3486 2095.8917 1913.9065 117.0032 -206587.8281 18037.0971 0.0000 0.0000 34217.3439 -149444.2372 298.8286 -183661.5811 -149346.3694 298.7260 -40.4372 -9.8613 556905.6672 4.0472 4.0153 PRESSURE: 1184600 -282.026 -203.527 102.312 -203.526 -31.1709 19.228 102.312 19.2297 124.468 GPRESSURE: 1184600 -217.291 -216.524 147.414 -158.433 8.32754 -70.3773 44.095 -44.9677 104.759 PRESSAVG: 1184600 -54.669 11.6047 23.7887 11.6048 41.4198 33.9536 23.7887 33.9536 25.1131 GPRESSAVG: 1184600 -54.318 12.3601 22.9286 10.2847 41.1505 35.3519 24.6606 31.512 25.7858 TIMING: 1184600 CPU: 3530.65, 0.00297681/step Wall: 3530.65, 0.00297681/step, 3.15492 hours remaining, 207.019531 MB of memory in use. ENERGY: 1184600 707.1176 2089.9857 1938.5170 117.5278 -206135.1938 17665.2217 0.0000 0.0000 34257.2138 -149359.6101 299.1768 -183616.8239 -149257.2950 299.0270 -62.9097 -34.7347 555767.1618 3.9547 4.2061 PRESSURE: 1184800 -30.2776 108.478 75.5797 108.478 -243.597 26.7254 75.5796 26.7251 -206.05 GPRESSURE: 1184800 25.9493 58.0946 65.5038 138.865 -200.293 36.3219 44.356 44.3831 -199.867 PRESSAVG: 1184800 -18.2925 26.4723 -9.01086 26.4722 20.9014 -34.886 -9.01085 -34.886 17.1683 GPRESSAVG: 1184800 -16.6797 25.2129 -9.00785 28.8908 21.757 -35.8797 -8.53115 -32.0455 14.7681 TIMING: 1184800 CPU: 3531.25, 0.00299235/step Wall: 3531.25, 0.00299235/step, 3.17123 hours remaining, 207.312500 MB of memory in use. ENERGY: 1184800 757.7242 2017.5842 1916.7217 116.0122 -206234.8809 17584.7972 0.0000 0.0000 34319.3424 -149522.6990 299.7194 -183842.0414 -149422.5996 299.1361 -159.9749 -124.7370 556006.0717 6.5924 6.6151 PRESSURE: 1185000 99.3563 -121.528 97.8668 -121.529 206.974 -141.878 97.8677 -141.878 345.525 GPRESSURE: 1185000 156.585 -139.154 22.9133 -23.5485 201.137 -140.666 177.76 -169.201 398.137 PRESSAVG: 1185000 -4.18078 -16.1409 -4.74462 -16.1409 -30.2749 -46.0251 -4.74466 -46.0252 13.0246 GPRESSAVG: 1185000 -5.25753 -13.6142 -4.78245 -18.0515 -29.7716 -43.0397 -5.40164 -49.0561 13.901 TIMING: 1185000 CPU: 3531.85, 0.00297512/step Wall: 3531.85, 0.00297512/step, 3.15281 hours remaining, 207.312500 MB of memory in use. ENERGY: 1185000 718.6426 2101.2942 1925.3897 112.5454 -206551.4334 18021.1457 0.0000 0.0000 34117.6550 -149554.7607 297.9580 -183672.4157 -149461.5477 298.0158 217.2850 251.9532 556609.6368 -7.1437 -7.0427 PRESSURE: 1185200 -22.9846 -47.6599 14.2742 -47.6605 -206.666 27.1592 14.274 27.1601 -48.0396 GPRESSURE: 1185200 -19.374 21.4833 59.5328 -137.353 -162.356 -40.179 -10.5146 68.6996 -9.99236 PRESSAVG: 1185200 -14.1506 -21.8367 52.7133 -21.8366 29.2074 38.9506 52.7133 38.9506 -31.9505 GPRESSAVG: 1185200 -14.6929 -22.8531 51.3255 -22.2866 30.1095 36.7147 52.7751 40.8838 -32.8263 TIMING: 1185200 CPU: 3532.44, 0.00299416/step Wall: 3532.44, 0.00299416/step, 3.17281 hours remaining, 207.312500 MB of memory in use. ENERGY: 1185200 756.8087 2089.9060 1936.3677 107.6875 -206412.9066 17812.1118 0.0000 0.0000 34083.5376 -149626.4873 297.6600 -183710.0249 -149521.1057 298.1635 -92.5635 -63.9073 556932.4076 -5.6312 -5.8032 PRESSURE: 1185400 -74.6425 -25.8645 18.2838 -25.8648 -163.323 -8.78864 18.2841 -8.78761 29.1033 GPRESSURE: 1185400 -67.8977 -26.1855 -6.15892 -53.1211 -101.85 -27.3241 18.7724 -31.0425 52.4614 PRESSAVG: 1185400 0.198013 -39.0318 23.9953 -39.0316 37.8337 -1.65998 23.9954 -1.65995 -42.5203 GPRESSAVG: 1185400 0.756623 -38.4955 24.4864 -38.371 35.4692 -1.27755 25.2647 -2.49503 -41.1738 TIMING: 1185400 CPU: 3533.05, 0.00303641/step Wall: 3533.05, 0.00303641/step, 3.21741 hours remaining, 207.312500 MB of memory in use. ENERGY: 1185400 760.0605 2128.6466 1919.5233 111.7612 -206238.3518 17790.5551 0.0000 0.0000 34086.2176 -149441.5874 297.6834 -183527.8050 -149350.6357 298.4378 -69.6206 -39.0953 559210.6187 -1.4962 -1.6493 PRESSURE: 1185600 34.3475 -91.5656 13.0262 -91.5663 43.5839 -196.852 13.0273 -196.851 79.0284 GPRESSURE: 1185600 117.15 -3.86948 81.7392 -177.407 51.2216 -259.35 29.7155 -113.113 108.932 PRESSAVG: 1185600 -32.7487 -7.95899 -24.6478 -7.95902 87.6269 29.1999 -24.6478 29.2 -47.7667 GPRESSAVG: 1185600 -33.3756 -9.77973 -21.6219 -6.09882 88.0987 28.3495 -30.2067 28.8094 -47.7973 TIMING: 1185600 CPU: 3533.65, 0.00299777/step Wall: 3533.65, 0.00299777/step, 3.1763 hours remaining, 207.312500 MB of memory in use. ENERGY: 1185600 723.6579 2094.5355 1962.6540 106.5177 -206509.4481 17861.6323 0.0000 0.0000 34123.4600 -149636.9906 298.0087 -183760.4507 -149546.6325 298.5817 52.3199 92.4346 556244.5635 2.3705 2.3086 PRESSURE: 1185800 -401.513 -47.664 31.0342 -47.6643 -257.177 -0.489686 31.0339 -0.489326 -260.667 GPRESSURE: 1185800 -390.469 -144.147 -17.8015 -15.7896 -262.775 70.5973 45.106 -19.1254 -172.425 PRESSAVG: 1185800 -26.7244 -2.57388 -40.1086 -2.57393 25.8199 -74.1803 -40.1085 -74.1802 -21.8595 GPRESSAVG: 1185800 -27.1021 -0.528176 -43.6309 -3.67319 25.7459 -72.4564 -36.236 -76.8738 -21.8216 TIMING: 1185800 CPU: 3534.26, 0.00304119/step Wall: 3534.26, 0.00304119/step, 3.22214 hours remaining, 207.312500 MB of memory in use. ENERGY: 1185800 779.0092 2137.3462 1940.1000 109.9321 -206100.9085 17438.9411 0.0000 0.0000 34135.1475 -149560.4323 298.1107 -183695.5799 -149458.1769 298.2046 -306.4523 -275.2230 557806.4076 -7.5880 -7.7259 PRESSURE: 1186000 -117.028 12.4668 -89.9829 12.4671 -169.483 -94.05 -89.9832 -94.0499 -252.605 GPRESSURE: 1186000 -88.5863 -20.5839 -117.522 67.8165 -84.3326 -119.671 -149.655 -136.135 -266.942 PRESSAVG: 1186000 -60.9148 15.0068 -14.4684 15.0069 41.2722 -56.9194 -14.4684 -56.9194 4.99733 GPRESSAVG: 1186000 -60.6494 13.8079 -13.7862 15.2051 41.1231 -58.5036 -15.3025 -53.3814 4.60177 TIMING: 1186000 CPU: 3534.86, 0.00301028/step Wall: 3534.86, 0.00301028/step, 3.18922 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1186000 753.4526 2083.6573 1907.6654 112.7685 -206300.7755 17594.1673 0.0000 0.0000 34355.0759 -149493.9884 300.0314 -183849.0643 -149395.4091 299.3054 -179.7054 -146.6202 557093.3687 -4.8818 -4.9749 PRESSURE: 1186200 2.29174 -50.4098 -39.4897 -50.4099 264.462 168.757 -39.4896 168.759 -38.3516 GPRESSURE: 1186200 23.617 -111.402 -26.5022 -25.929 265.051 152.05 -108.109 198.484 40.3367 PRESSAVG: 1186200 -48.7009 -21.7273 28.1243 -21.7273 57.0733 -9.12404 28.1241 -9.12395 -3.16722 GPRESSAVG: 1186200 -48.5645 -23.0918 27.7301 -21.9951 56.9357 -9.55222 28.8795 -8.97287 -3.64999 TIMING: 1186200 CPU: 3535.46, 0.00301587/step Wall: 3535.46, 0.00301588/step, 3.19498 hours remaining, 207.312500 MB of memory in use. ENERGY: 1186200 747.4893 2148.2045 1952.2659 100.4670 -206664.3730 17954.5258 0.0000 0.0000 34327.3331 -149434.0873 299.7891 -183761.4204 -149337.9127 299.1135 76.1339 109.6682 557169.4917 1.7351 1.5737 PRESSURE: 1186400 111.995 42.434 138.163 42.4346 134.502 135.945 138.164 135.945 291.727 GPRESSURE: 1186400 134.746 19.9232 172.407 20.9031 210.192 142.612 149.863 131.281 294.104 PRESSAVG: 1186400 -24.3669 -6.20181 53.1859 -6.20185 30.7708 31.7819 53.186 31.7819 -49.4201 GPRESSAVG: 1186400 -24.8093 -6.43193 55.0436 -3.71056 31.5204 31.9661 52.4916 31.2865 -49.7686 TIMING: 1186400 CPU: 3536.07, 0.003014/step Wall: 3536.07, 0.003014/step, 3.19283 hours remaining, 207.312500 MB of memory in use. ENERGY: 1186400 711.0651 2088.2202 1927.5823 120.8468 -206682.9447 18155.6969 0.0000 0.0000 34455.5483 -149223.9852 300.9089 -183679.5335 -149130.2753 299.1700 179.4078 213.0141 556777.3048 -14.3387 -14.3525 PRESSURE: 1186600 -34.1967 -20.6584 -17.317 -20.6577 27.6783 -41.2508 -17.3163 -41.2502 -3.09236 GPRESSURE: 1186600 8.92398 -156.359 -9.69385 20.62 66.4363 -75.1536 -6.2917 -54.8954 1.99489 PRESSAVG: 1186600 -87.8334 -4.43952 23.9197 -4.43956 9.07907 38.095 23.9197 38.095 84.888 GPRESSAVG: 1186600 -88.405 -2.5759 22.2219 -9.18949 9.79361 37.8421 25.4457 37.2946 84.9016 TIMING: 1186600 CPU: 3536.66, 0.00298177/step Wall: 3536.66, 0.00298177/step, 3.15852 hours remaining, 207.312500 MB of memory in use. ENERGY: 1186600 751.7052 2126.8791 1960.8593 125.9015 -206361.4021 17894.1996 0.0000 0.0000 34204.5524 -149297.3050 298.7169 -183501.8573 -149205.5683 299.0943 -3.2036 25.7850 557424.2195 2.0445 2.0967 PRESSURE: 1186800 5.31492 -121.535 54.1221 -121.535 115.33 -83.84 54.1211 -83.8393 92.3499 GPRESSURE: 1186800 65.494 -199.537 74.525 -78.2944 210.728 -128.729 -3.59456 -5.46667 24.8509 PRESSAVG: 1186800 -91.2645 -13.513 -18.8482 -13.513 4.61986 -19.8203 -18.8482 -19.8202 99.0184 GPRESSAVG: 1186800 -90.9488 -15.0071 -18.398 -9.74156 4.39145 -20.1252 -19.5861 -18.0154 98.9586 TIMING: 1186800 CPU: 3537.26, 0.00296287/step Wall: 3537.26, 0.00296287/step, 3.13834 hours remaining, 207.312500 MB of memory in use. ENERGY: 1186800 756.5613 2095.5801 1927.3071 113.9841 -206540.7354 17987.5391 0.0000 0.0000 34231.5600 -149428.2037 298.9527 -183659.7636 -149328.9870 299.2047 70.9984 100.3578 556609.6556 4.1246 4.1337 PRESSURE: 1187000 -139.35 136.244 -32.3999 136.244 -109.391 121.144 -32.3989 121.143 7.10462 GPRESSURE: 1187000 -140.377 155.207 -89.2444 172.177 -39.4283 45.5336 161.949 156.667 38.2352 PRESSAVG: 1187000 -18.841 -1.07516 10.8475 -1.07526 -23.2929 3.52493 10.8475 3.52485 41.0272 GPRESSAVG: 1187000 -18.1299 -2.83886 11.2205 -2.52984 -24.0739 1.98673 9.22549 4.0784 41.3936 TIMING: 1187000 CPU: 3537.85, 0.0029882/step Wall: 3537.85, 0.0029882/step, 3.165 hours remaining, 207.312500 MB of memory in use. ENERGY: 1187000 717.2555 2100.9106 1926.9026 107.3509 -206435.1575 17886.9377 0.0000 0.0000 34459.4433 -149236.3570 300.9429 -183695.8003 -149137.7521 298.9783 -80.5456 -47.1900 558527.6328 -0.3689 -0.2701 PRESSURE: 1187200 86.5916 -77.0754 30.6099 -77.0769 8.69713 -129.509 30.6115 -129.508 8.15243 GPRESSURE: 1187200 161.046 -72.0932 27.5544 -82.0385 19.1315 -96.6218 94.1868 -145.445 19.139 PRESSAVG: 1187200 -11.3189 -13.2976 -28.913 -13.2976 -15.28 -1.02244 -28.913 -1.02248 52.1207 GPRESSAVG: 1187200 -12.1705 -12.4233 -27.7794 -14.126 -14.6055 -0.367142 -27.3149 -2.56597 52.1918 TIMING: 1187200 CPU: 3538.45, 0.00296712/step Wall: 3538.45, 0.00296712/step, 3.1425 hours remaining, 207.312500 MB of memory in use. ENERGY: 1187200 786.0169 2111.6698 1933.9411 118.5825 -206723.8300 18154.6182 0.0000 0.0000 34280.0531 -149338.9482 299.3762 -183619.0013 -149235.3200 299.1194 34.4804 66.4389 557787.3979 8.5073 8.4719 PRESSURE: 1187400 2.77689 40.0552 29.188 40.0548 -83.3631 -179.371 29.1869 -179.371 -54.327 GPRESSURE: 1187400 13.369 27.0047 39.2549 79.7745 -25.5282 -260.511 77.619 -139.999 -30.3822 PRESSAVG: 1187400 -3.03744 -24.1057 26.4933 -24.1056 -10.8677 -29.0958 26.4934 -29.0958 28.6811 GPRESSAVG: 1187400 -2.07194 -24.1302 26.4157 -22.5842 -9.84424 -28.1427 26.1171 -27.8991 27.0721 TIMING: 1187400 CPU: 3539.05, 0.00299054/step Wall: 3539.05, 0.00299054/step, 3.16715 hours remaining, 207.312500 MB of memory in use. ENERGY: 1187400 761.5199 2135.8797 1898.8907 116.6094 -206347.6887 17956.0692 0.0000 0.0000 34105.1019 -149373.6179 297.8483 -183478.7198 -149281.7414 298.9165 -44.9711 -14.1805 559249.7626 4.9253 5.0520 PRESSURE: 1187600 408.265 79.8833 -45.446 79.883 -222.849 -138.173 -45.446 -138.173 159.025 GPRESSURE: 1187600 455.188 81.9787 -115.553 93.9186 -153.064 -92.8008 -66.5489 -180.784 139.125 PRESSAVG: 1187600 47.9039 -26.8862 11.4532 -26.8861 -52.1225 12.6854 11.4532 12.6855 19.1195 GPRESSAVG: 1187600 47.4885 -26.2316 9.05479 -28.1582 -53.047 12.8739 11.317 10.2524 20.3252 TIMING: 1187600 CPU: 3539.64, 0.00299722/step Wall: 3539.64, 0.00299722/step, 3.17406 hours remaining, 207.312500 MB of memory in use. ENERGY: 1187600 698.0612 2107.9160 1937.1482 110.6794 -206377.4588 18067.3266 0.0000 0.0000 34112.5748 -149343.7527 297.9136 -183456.3275 -149259.4172 299.2813 114.8137 147.0830 559009.9754 4.9670 4.9222 PRESSURE: 1187800 47.7541 82.638 109.313 82.638 117.158 67.3548 109.314 67.3534 -4.40052 GPRESSURE: 1187800 55.769 120.256 121.477 -71.1307 131.784 55.1257 67.116 104.092 67.0662 PRESSAVG: 1187800 43.3827 -51.2924 75.7675 -51.2925 -48.3719 -36.41 75.7675 -36.41 34.2328 GPRESSAVG: 1187800 42.7749 -52.1527 75.0408 -49.9607 -48.614 -36.0597 75.6928 -34.2511 34.5974 TIMING: 1187800 CPU: 3540.25, 0.00301162/step Wall: 3540.25, 0.00301162/step, 3.18913 hours remaining, 207.312500 MB of memory in use. ENERGY: 1187800 746.9889 2133.8040 1934.6771 115.1750 -206869.9326 18001.2264 0.0000 0.0000 34484.7196 -149453.3416 301.1636 -183938.0612 -149355.4465 299.5176 53.5040 84.8729 557730.8368 9.7479 9.5861 PRESSURE: 1188000 -110.591 111.337 65.0366 111.336 319.91 115.787 65.0357 115.786 -76.1164 GPRESSURE: 1188000 -82.3594 107.757 2.93357 165.382 337.524 194.412 111.995 77.8769 -15.9958 PRESSAVG: 1188000 14.8135 -13.3205 22.6039 -13.3205 -6.2572 -19.9292 22.6038 -19.9292 -5.7537 GPRESSAVG: 1188000 14.979 -13.9162 22.4262 -13.0266 -5.73381 -20.393 23.9897 -20.3891 -6.58679 TIMING: 1188000 CPU: 3540.85, 0.00301131/step Wall: 3540.85, 0.00301131/step, 3.18864 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1188000 753.1217 2103.9917 1931.3803 117.0866 -206536.4681 18007.7519 0.0000 0.0000 34093.1588 -149529.9771 297.7440 -183623.1359 -149434.9329 298.7706 44.4009 79.7229 558013.4327 0.9342 0.8861 PRESSURE: 1188200 -223.929 -61.1102 -111.364 -61.1105 188.122 5.1929 -111.367 5.19484 -124.925 GPRESSURE: 1188200 -260.313 57.0736 -71.967 -71.7287 216.21 68.0226 -95.6291 -54.3276 -26.9675 PRESSAVG: 1188200 -0.945739 -22.6645 -44.1586 -22.6645 -4.74609 1.42954 -44.1587 1.42951 -29.1748 GPRESSAVG: 1188200 -1.38161 -19.9098 -44.6215 -23.3568 -5.71031 1.41329 -44.9646 -0.0488132 -27.8025 TIMING: 1188200 CPU: 3541.44, 0.00297258/step Wall: 3541.44, 0.00297258/step, 3.14746 hours remaining, 207.312500 MB of memory in use. ENERGY: 1188200 741.1370 2095.7681 1946.6197 126.2060 -206374.7075 17851.2489 0.0000 0.0000 34117.6196 -149496.1083 297.9577 -183613.7278 -149399.1169 298.3495 -53.5774 -23.6901 558488.2884 -11.6222 -11.6315 LDB: ============= START OF LOAD BALANCING ============== 3544.99 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3544.99 LDB: =============== DONE WITH MIGRATION ================ 3544.99 LDB: ============= START OF LOAD BALANCING ============== 3545.29 LDB: Largest compute 4773 load 0.027893 is 23.6% of average load 0.118218 LDB: Average compute 0.001718 is 1.5% of average load 0.118218 LDB: TIME 3545.29 LOAD: AVG 0.118218 MAX 0.20822 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.473 MB LDB: TIME 3545.29 LOAD: AVG 0.118218 MAX 0.20822 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.473 MB LDB: TIME 3545.29 LOAD: AVG 0.118218 MAX 0.20822 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.473 MB LDB: ============== END OF LOAD BALANCING =============== 3545.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3545.3 PRESSURE: 1188400 9.34894 -89.1213 60.0449 -89.121 13.3633 51.0081 60.046 51.006 -187.35 GPRESSURE: 1188400 20.9245 -76.7087 126.787 -10.5925 75.699 17.65 55.9838 88.5833 -165.69 PRESSAVG: 1188400 -30.8668 25.4859 27.8482 25.4859 45.5971 11.1654 27.8482 11.1654 -36.3612 GPRESSAVG: 1188400 -31.935 22.9561 30.03 26.4616 47.0117 11.6039 26.2499 12.8187 -36.4994 TIMING: 1188400 CPU: 3542.05, 0.00302525/step Wall: 3542.05, 0.00302525/step, 3.20307 hours remaining, 207.496094 MB of memory in use. ENERGY: 1188400 760.8468 2110.3278 1968.2561 111.8701 -206712.9324 17921.7617 0.0000 0.0000 34352.4787 -149487.3913 300.0087 -183839.8700 -149395.7693 298.9471 -54.8792 -23.0221 556515.3357 -7.2103 -7.1409 PRESSURE: 1188600 23.477 -90.8123 -72.4049 -90.812 157.901 29.2956 -72.4058 29.2946 -29.7928 GPRESSURE: 1188600 60.2084 -46.2946 -81.6022 -143.462 138.164 -57.236 -22.7881 142.237 53.6738 PRESSAVG: 1188600 -48.3195 -2.03383 38.6696 -2.03385 84.2821 1.95542 38.6696 1.95546 -62.1031 GPRESSAVG: 1188600 -47.8108 0.228223 38.7013 -3.59139 84.1301 2.66554 37.8231 0.256299 -62.4616 TIMING: 1188600 CPU: 3542.65, 0.00299562/step Wall: 3542.65, 0.00299562/step, 3.17153 hours remaining, 207.695312 MB of memory in use. ENERGY: 1188600 755.1009 2124.7767 1925.3067 112.5336 -206738.6043 18064.4621 0.0000 0.0000 34419.2244 -149337.1999 300.5916 -183756.4243 -149243.5520 298.8178 50.5283 84.0153 557187.1199 -8.7135 -8.7141 PRESSURE: 1188800 -13.5216 -35.3779 99.895 -35.3777 -171.752 -15.582 99.895 -15.5806 -171.552 GPRESSURE: 1188800 7.41214 -6.39805 36.7619 -127.591 -107.883 -35.1263 108.807 37.8768 -152.635 PRESSAVG: 1188800 26.1693 -43.7991 -11.0248 -43.799 -76.2402 20.3189 -11.0247 20.319 56.5647 GPRESSAVG: 1188800 27.1675 -45.0994 -12.8587 -43.2102 -77.0932 19.0601 -7.55651 19.299 57.1198 TIMING: 1188800 CPU: 3543.25, 0.0030197/step Wall: 3543.25, 0.0030197/step, 3.19685 hours remaining, 207.695312 MB of memory in use. ENERGY: 1188800 756.1277 2093.3093 1938.1918 103.5471 -206211.3015 17743.8905 0.0000 0.0000 34242.7935 -149333.4417 299.0508 -183576.2351 -149238.6699 298.9662 -118.9422 -84.3688 558194.7477 2.1646 2.3980 PRESSURE: 1189000 29.5734 91.6901 6.67949 91.6906 -171.328 -55.9865 6.67886 -55.9858 -389.59 GPRESSURE: 1189000 36.2997 25.3964 -29.2324 116.301 -174.26 -76.6067 -31.3404 -13.3419 -296.066 PRESSAVG: 1189000 69.6476 -6.01088 38.0941 -6.01086 -31.8464 7.90399 38.0941 7.90406 -40.8149 GPRESSAVG: 1189000 69.6354 -4.33232 39.427 -6.5378 -30.5163 7.11374 35.545 8.8697 -41.8105 TIMING: 1189000 CPU: 3543.85, 0.00300374/step Wall: 3543.85, 0.00300374/step, 3.1798 hours remaining, 207.695312 MB of memory in use. ENERGY: 1189000 739.1971 2114.4893 1912.3081 119.5439 -206151.1717 17625.7040 0.0000 0.0000 34288.7918 -149351.1374 299.4525 -183639.9293 -149249.8037 299.1521 -177.1147 -144.6753 557765.6468 -1.0046 -0.8971 PRESSURE: 1189200 -205.314 -89.3719 -78.0677 -89.3713 32.381 100.106 -78.0673 100.107 173.434 GPRESSURE: 1189200 -165.478 -137.85 -75.3582 -90.447 75.7415 97.7116 -46.001 57.0947 190.594 PRESSAVG: 1189200 -53.0079 10.5476 -25.0402 10.5476 35.0928 36.9102 -25.0402 36.9101 21.192 GPRESSAVG: 1189200 -52.2103 9.00204 -24.2506 9.4633 33.9754 37.2082 -25.9665 36.5594 21.7187 TIMING: 1189200 CPU: 3544.45, 0.00298129/step Wall: 3544.45, 0.00298129/step, 3.15586 hours remaining, 207.695312 MB of memory in use. ENERGY: 1189200 818.0590 2064.5745 1968.5623 110.7216 -206273.8435 17972.8401 0.0000 0.0000 33992.9840 -149346.1021 296.8692 -183339.0861 -149250.4996 298.9340 0.1671 33.6190 556665.6606 1.0923 1.1613 PRESSURE: 1189400 49.0525 105.386 -160.498 105.386 -40.7931 151.382 -160.498 151.383 194.583 GPRESSURE: 1189400 91.3843 33.7778 -131.297 164.099 -7.2351 220.041 -195.489 83.8056 231.993 PRESSAVG: 1189400 7.38104 -0.221058 -2.07648 -0.220958 -45.7293 25.1435 -2.07646 25.1435 22.5812 GPRESSAVG: 1189400 5.44206 -1.01213 -2.65414 -0.0959964 -44.7867 25.5382 0.691397 25.8755 23.0835 TIMING: 1189400 CPU: 3545.04, 0.0029456/step Wall: 3545.04, 0.0029456/step, 3.11792 hours remaining, 207.695312 MB of memory in use. ENERGY: 1189400 697.7154 2174.4666 1915.5775 105.0388 -206207.7966 17911.3139 0.0000 0.0000 34213.8519 -149189.8324 298.7981 -183403.6844 -149093.0973 299.5705 67.6143 105.3808 558051.0844 -5.2557 -5.4204 PRESSURE: 1189600 107.066 -18.9317 96.6574 -18.9318 -197.549 59.5467 96.6573 59.5474 96.2437 GPRESSURE: 1189600 168.133 19.3158 90.7021 6.57497 -176.575 68.9944 124.707 50.0303 113.813 PRESSAVG: 1189600 16.1072 -10.092 3.17173 -10.092 -34.0958 2.85318 3.1717 2.85305 11.3327 GPRESSAVG: 1189600 18.253 -7.83819 3.80119 -10.6136 -35.2689 0.896004 1.84184 5.11994 10.264 TIMING: 1189600 CPU: 3545.63, 0.0029633/step Wall: 3545.63, 0.0029633/step, 3.13649 hours remaining, 207.695312 MB of memory in use. ENERGY: 1189600 713.7560 2178.5164 1936.2408 142.6813 -206508.7595 17886.2504 0.0000 0.0000 34392.8686 -149258.4459 300.3615 -183651.3146 -149161.9623 300.0891 1.9202 35.1234 559238.2442 -2.2186 -2.2506 PRESSURE: 1189800 -38.7599 -66.7088 -79.2419 -66.7089 -98.9152 -6.17262 -79.2424 -6.17223 -214.219 GPRESSURE: 1189800 -25.7563 -73.0207 8.11311 -111.628 -31.8317 -75.1064 -98.1876 25.5367 -194.953 PRESSAVG: 1189800 -11.457 27.1362 7.93958 27.1362 10.6694 32.0247 7.93956 32.0247 0.589126 GPRESSAVG: 1189800 -12.6735 25.631 5.95931 28.0724 9.82759 33.7199 8.51326 31.0543 2.55536 TIMING: 1189800 CPU: 3546.23, 0.00297696/step Wall: 3546.23, 0.00297696/step, 3.15079 hours remaining, 207.695312 MB of memory in use. ENERGY: 1189800 795.8941 2107.8851 1929.6042 120.4158 -206493.0917 18029.7496 0.0000 0.0000 34126.3873 -149383.1557 298.0342 -183509.5430 -149274.1857 299.3182 -117.2981 -84.1802 560739.2162 -0.0662 -0.0968 PRESSURE: 1190000 -279.015 68.2334 -121.369 68.2333 -293.197 -24.1423 -121.369 -24.1416 -44.2141 GPRESSURE: 1190000 -254.77 9.46502 -93.5787 63.6571 -178.407 -108.623 -148.665 -26.1652 -87.6894 PRESSAVG: 1190000 -0.227428 26.3469 -26.5318 26.3469 -32.8039 -13.0373 -26.5318 -13.0373 13.177 GPRESSAVG: 1190000 -0.138514 24.867 -25.1683 27.0749 -31.1773 -13.7152 -28.1316 -14.0331 11.3174 TIMING: 1190000 CPU: 3546.82, 0.00297625/step Wall: 3546.82, 0.00297625/step, 3.14986 hours remaining, 207.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1190000 776.0875 2102.0063 1921.5084 116.2961 -205861.1859 17590.0368 0.0000 0.0000 33861.6253 -149493.6255 295.7220 -183355.2508 -149393.0069 298.4915 -205.4754 -173.6222 558810.6263 -6.6181 -6.6662 PRESSURE: 1190200 -119.419 62.0192 83.5662 62.0197 43.0584 82.5412 83.5673 82.5421 -9.00865 GPRESSURE: 1190200 -32.3453 5.00209 89.6895 99.3102 73.1174 25.6325 10.108 118.624 -33.4544 PRESSAVG: 1190200 22.1113 47.7434 91.3133 47.7434 53.2757 -30.6735 91.3134 -30.6734 -28.2235 GPRESSAVG: 1190200 22.5509 47.3849 91.1175 48.2067 52.9194 -30.9467 92.6934 -29.4276 -28.3895 TIMING: 1190200 CPU: 3547.42, 0.00297807/step Wall: 3547.42, 0.00297807/step, 3.15163 hours remaining, 207.695312 MB of memory in use. ENERGY: 1190200 780.1267 2107.1077 1915.8984 126.6814 -206717.4219 17915.0192 0.0000 0.0000 34160.3587 -149712.2296 298.3309 -183872.5883 -149614.4425 298.3534 -28.4566 2.4392 556639.3187 15.7212 15.6936 PRESSURE: 1190400 -169.05 -64.8271 -232.202 -64.828 -318.525 86.5221 -232.202 86.5221 -272.663 GPRESSURE: 1190400 -205.473 -73.3274 -181.116 -20.8462 -224.68 81.5674 -259.139 63.9988 -228.174 PRESSAVG: 1190400 -1.13009 13.9807 40.3103 13.9807 20.3393 56.7402 40.3103 56.7402 -7.08276 GPRESSAVG: 1190400 -0.528153 15.5544 39.7652 13.1811 19.4642 56.3395 41.8441 57.6311 -6.89205 TIMING: 1190400 CPU: 3548.01, 0.00294229/step Wall: 3548.01, 0.00294229/step, 3.1136 hours remaining, 207.695312 MB of memory in use. ENERGY: 1190400 836.7066 2106.4084 1920.6483 98.5256 -206470.1423 17726.7668 0.0000 0.0000 34082.4499 -149698.6366 297.6505 -183781.0865 -149595.7705 298.2772 -253.4126 -219.4422 557979.6813 4.0421 4.0147 PRESSURE: 1190600 -25.3874 120.268 37.1817 120.269 198.216 -112.869 37.181 -112.869 340.789 GPRESSURE: 1190600 11.8282 159.773 52.5273 103.744 212.164 -50.4408 46.1704 -159.155 399.752 PRESSAVG: 1190600 -34.562 16.5564 50.3537 16.5564 -8.13324 -28.5239 50.3537 -28.524 57.6895 GPRESSAVG: 1190600 -34.6804 16.3142 51.2494 17.4798 -8.23238 -25.99 49.3078 -30.9513 57.5795 TIMING: 1190600 CPU: 3548.59, 0.00293501/step Wall: 3548.59, 0.00293501/step, 3.10573 hours remaining, 207.695312 MB of memory in use. ENERGY: 1190600 726.4751 2123.9252 1942.9135 119.5160 -206482.8530 17985.9689 0.0000 0.0000 33944.9845 -149639.0699 296.4500 -183584.0544 -149540.1097 298.0082 171.2058 207.9147 555551.2111 4.9981 4.8889 PRESSURE: 1190800 48.7634 -143.13 127.884 -143.129 104.285 -120.904 127.884 -120.903 220.72 GPRESSURE: 1190800 68.3702 -139.897 113.427 -131.129 134.821 -138.794 221.027 -98.5891 276.403 PRESSAVG: 1190800 -63.174 54.8906 18.3105 54.8905 19.1867 22.1776 18.3105 22.1777 38.1752 GPRESSAVG: 1190800 -63.3405 54.6026 17.1315 52.9619 19.3759 21.702 19.4342 22.7954 38.035 TIMING: 1190800 CPU: 3549.18, 0.00296121/step Wall: 3549.18, 0.00296121/step, 3.13329 hours remaining, 207.695312 MB of memory in use. ENERGY: 1190800 755.7609 2136.8718 1944.8456 110.5300 -206883.4011 18258.0202 0.0000 0.0000 34065.3258 -149612.0468 297.5010 -183677.3726 -149529.0107 299.0564 124.5896 159.8647 556622.6150 -1.9374 -1.9765 PRESSURE: 1191000 -48.9123 54.0777 -50.4826 54.078 -212.846 -115.69 -50.4818 -115.691 -32.7854 GPRESSURE: 1191000 -5.79922 -63.035 -30.9885 180.557 -113.015 -33.614 -100.583 -160.851 -78.9005 PRESSAVG: 1191000 16.5161 -25.5381 33.492 -25.5381 -27.5155 12.0161 33.492 12.016 19.13 GPRESSAVG: 1191000 16.1444 -24.2473 33.1813 -26.2086 -27.7458 10.9508 31.8862 11.2818 19.059 TIMING: 1191000 CPU: 3549.78, 0.00298387/step Wall: 3549.78, 0.00298387/step, 3.1571 hours remaining, 207.695312 MB of memory in use. ENERGY: 1191000 737.3614 2139.9851 1900.6179 121.4227 -206320.4953 17857.0739 0.0000 0.0000 34069.3846 -149494.6498 297.5364 -183564.0343 -149408.8654 298.5990 -98.1813 -65.9050 558603.5722 2.7102 2.4859 PRESSURE: 1191200 -74.9632 -86.5196 26.5425 -86.5203 -58.1131 6.32855 26.5425 6.33055 270.015 GPRESSURE: 1191200 -29.0308 -121.839 22.8053 -54.9397 -4.37529 -80.7887 3.09259 61.0801 266.411 PRESSAVG: 1191200 45.1687 -15.2733 11.2778 -15.2732 -6.45997 -69.562 11.2779 -69.562 -50.3454 GPRESSAVG: 1191200 45.3206 -15.4918 12.5559 -13.4928 -7.49158 -67.1459 11.0911 -71.4738 -49.1272 TIMING: 1191200 CPU: 3550.38, 0.00299375/step Wall: 3550.38, 0.00299375/step, 3.16739 hours remaining, 207.695312 MB of memory in use. ENERGY: 1191200 726.5154 2100.9860 1965.3120 102.6142 -206315.8963 17805.5185 0.0000 0.0000 34293.2986 -149321.6518 299.4919 -183614.9504 -149213.4459 298.5495 45.6462 77.6684 557275.6114 -3.8789 -3.7661 PRESSURE: 1191400 407.845 42.6655 151.497 42.6666 -299.482 -49.9585 151.497 -49.9578 -81.3154 GPRESSURE: 1191400 426.111 128.394 176.509 -29.5973 -226.05 -101.759 157.068 -57.5279 -71.243 PRESSAVG: 1191400 -30.8467 -57.2627 63.5254 -57.2627 16.3607 30.6865 63.5253 30.6865 38.4092 GPRESSAVG: 1191400 -31.2048 -56.8897 63.2775 -58.4809 18.1891 30.13 63.7691 32.3456 36.4235 TIMING: 1191400 CPU: 3550.98, 0.00298979/step Wall: 3550.98, 0.00298979/step, 3.16303 hours remaining, 207.695312 MB of memory in use. ENERGY: 1191400 742.7178 2111.2952 1928.6748 112.0499 -206256.9536 17855.4112 0.0000 0.0000 34245.5845 -149261.2201 299.0752 -183506.8047 -149164.4467 298.8458 9.0158 42.9394 559881.0175 7.9744 7.8026 PRESSURE: 1191600 -410.26 -14.612 -24.6709 -14.6108 -248.356 -76.7451 -24.6693 -76.744 -205.577 GPRESSURE: 1191600 -369.287 -48.2681 -1.09218 -113.926 -187.18 -13.8576 -55.8479 -106.521 -215.047 PRESSAVG: 1191600 -44.4594 -12.3024 16.6874 -12.3023 14.6804 -7.40931 16.6874 -7.40927 18.8593 GPRESSAVG: 1191600 -44.3991 -15.4874 17.2371 -10.6564 13.6818 -6.93844 17.3247 -8.17117 19.1561 TIMING: 1191600 CPU: 3551.57, 0.00296391/step Wall: 3551.57, 0.00296391/step, 3.13548 hours remaining, 207.695312 MB of memory in use. ENERGY: 1191600 787.5200 2120.3362 1940.9266 120.0069 -205993.0664 17561.5359 0.0000 0.0000 34260.0298 -149202.7110 299.2014 -183462.7408 -149098.8028 299.4413 -288.0640 -257.1715 559163.3067 -3.6399 -3.8537 PRESSURE: 1191800 26.3238 -182.674 -56.4987 -182.674 -224.092 -70.4515 -56.4971 -70.4519 -170.673 GPRESSURE: 1191800 -0.185915 -131.656 -41.4477 -191.7 -153.901 -60.4105 46.4443 -127.499 -125.696 PRESSAVG: 1191800 36.7087 -14.6274 29.5172 -14.6275 -44.9026 -16.6694 29.5173 -16.6696 -10.5929 GPRESSAVG: 1191800 35.5499 -10.6047 30.6175 -17.1939 -43.1905 -18.0314 30.0387 -13.8712 -10.5366 TIMING: 1191800 CPU: 3552.17, 0.00300007/step Wall: 3552.17, 0.00300007/step, 3.17358 hours remaining, 207.695312 MB of memory in use. ENERGY: 1191800 751.0477 2132.0155 1915.5040 111.3614 -205897.7493 17550.2969 0.0000 0.0000 34219.1815 -149218.3422 298.8446 -183437.5237 -149116.6664 299.7192 -122.8138 -93.2610 558283.7888 -6.2622 -6.0591 PRESSURE: 1192000 8.46858 24.0698 -15.0042 24.0699 72.5661 31.401 -15.0045 31.4011 -178.845 GPRESSURE: 1192000 -17.7466 110.504 -51.7925 -8.45822 116.776 -50.2335 -32.0211 27.8935 -91.7127 PRESSAVG: 1192000 -92.885 10.8606 31.2016 10.8606 22.7859 -59.5731 31.2015 -59.573 77.4894 GPRESSAVG: 1192000 -91.1112 12.1941 30.464 11.2632 20.8204 -61.6044 30.3516 -61.1409 77.8556 TIMING: 1192000 CPU: 3552.77, 0.00299262/step Wall: 3552.77, 0.00299262/step, 3.16553 hours remaining, 207.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1192000 779.1531 2163.1796 1932.7713 101.9507 -206220.7689 17808.7466 0.0000 0.0000 34255.9174 -149179.0502 299.1654 -183434.9676 -149082.5109 299.6942 -32.6034 2.4388 557987.3277 2.4634 2.5216 PRESSURE: 1192200 37.7082 -103.914 82.9496 -103.914 -49.7525 -41.4092 82.9499 -41.4087 -53.7673 GPRESSURE: 1192200 89.7033 -20.2153 134.281 -131.378 -77.9668 0.992761 77.7326 3.53089 5.00627 PRESSAVG: 1192200 -12.2054 -35.7226 -9.90628 -35.7226 -71.8121 -2.03767 -9.90626 -2.03761 56.3612 GPRESSAVG: 1192200 -11.9459 -38.7214 -10.3873 -36.5044 -71.9513 0.293394 -9.47489 -1.09287 54.7301 TIMING: 1192200 CPU: 3553.37, 0.00298306/step Wall: 3553.37, 0.00298306/step, 3.15525 hours remaining, 207.695312 MB of memory in use. ENERGY: 1192200 764.2019 2100.1651 1923.1355 94.8465 -206172.8995 17707.4863 0.0000 0.0000 34253.4249 -149329.6393 299.1437 -183583.0642 -149230.0378 299.1467 -21.9372 5.5809 557277.4704 -9.2187 -9.7224 LDB: ============= START OF LOAD BALANCING ============== 3556.92 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3556.92 LDB: =============== DONE WITH MIGRATION ================ 3556.92 LDB: ============= START OF LOAD BALANCING ============== 3557.22 LDB: Largest compute 4773 load 0.027889 is 23.6% of average load 0.118036 LDB: Average compute 0.001728 is 1.5% of average load 0.118036 LDB: TIME 3557.22 LOAD: AVG 0.118036 MAX 0.210466 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.961 MB LDB: TIME 3557.22 LOAD: AVG 0.118036 MAX 0.210466 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.965 MB LDB: TIME 3557.22 LOAD: AVG 0.118036 MAX 0.210466 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.965 MB LDB: ============== END OF LOAD BALANCING =============== 3557.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3557.23 PRESSURE: 1192400 -57.7233 -67.1651 75.2905 -67.1629 -402.653 -68.7371 75.2905 -68.7396 -163.443 GPRESSURE: 1192400 -95.7577 -104.039 24.1042 -67.9133 -305.027 -79.3955 85.9947 -79.2159 -118.842 PRESSAVG: 1192400 66.7101 -23.88 6.06016 -23.88 -99.9063 52.9331 6.06016 52.9332 42.7605 GPRESSAVG: 1192400 65.9162 -23.5951 8.34909 -22.2076 -99.8724 50.5052 5.63081 51.6383 44.0742 TIMING: 1192400 CPU: 3553.98, 0.00306354/step Wall: 3553.98, 0.00306354/step, 3.2402 hours remaining, 207.242188 MB of memory in use. ENERGY: 1192400 748.9591 2093.8998 1914.4584 109.3738 -205971.0817 17537.6984 0.0000 0.0000 34160.0164 -149406.6758 298.3279 -183566.6922 -149309.2818 299.1189 -207.9398 -173.2086 558498.9214 3.1881 3.3726 PRESSURE: 1192600 196.662 127.854 53.6513 127.854 133.933 -186.687 53.6505 -186.687 100.349 GPRESSURE: 1192600 231.048 171.251 18.2134 66.2753 174.732 -243.039 133.332 -125.389 128.329 PRESSAVG: 1192600 62.0269 54.7119 5.20748 54.712 -36.4718 24.5741 5.20744 24.5739 -48.5034 GPRESSAVG: 1192600 60.5103 54.1933 3.17964 54.3458 -35.8509 25.9687 6.20859 25.627 -47.9233 TIMING: 1192600 CPU: 3554.58, 0.00299124/step Wall: 3554.58, 0.00299124/step, 3.16356 hours remaining, 207.242188 MB of memory in use. ENERGY: 1192600 718.1907 2083.7844 1944.1477 113.2316 -206619.1342 17962.8519 0.0000 0.0000 34196.5614 -149600.3666 298.6471 -183796.9280 -149500.4050 298.2026 143.6478 178.0363 557420.0906 -7.6494 -7.7546 PRESSURE: 1192800 -231.873 124.614 71.7768 124.614 7.59865 -59.5561 71.7774 -59.5562 -183.259 GPRESSURE: 1192800 -220.63 40.2852 90.391 174.837 95.4165 -32.9125 127.567 -136.894 -189.133 PRESSAVG: 1192800 -32.9932 17.3011 20.7387 17.3011 13.3925 -18.8158 20.7386 -18.8159 17.0274 GPRESSAVG: 1192800 -31.8966 16.9784 20.9808 17.8153 14.5679 -19.2183 21.0354 -19.4797 14.8404 TIMING: 1192800 CPU: 3555.17, 0.00298553/step Wall: 3555.17, 0.00298553/step, 3.15736 hours remaining, 207.242188 MB of memory in use. ENERGY: 1192800 785.0646 2097.9898 1928.4797 113.2920 -206545.8916 17716.0837 0.0000 0.0000 34224.6413 -149680.3405 298.8923 -183904.9818 -149585.5914 298.4723 -135.8445 -104.7820 555978.9377 -0.8577 -0.8294 PRESSURE: 1193000 150.618 -18.5224 130.341 -18.5226 -15.5347 63.6161 130.342 63.6159 -53.1809 GPRESSURE: 1193000 175.281 39.7569 128.67 -75.3722 31.0267 5.77024 90.5009 124.928 -26.9745 PRESSAVG: 1193000 30.0416 77.6902 20.1388 77.6902 -44.6327 6.7531 20.1388 6.75306 68.7939 GPRESSAVG: 1193000 30.5152 78.7486 19.2743 77.3748 -45.6174 7.87522 17.7098 6.91116 68.986 TIMING: 1193000 CPU: 3555.78, 0.00300509/step Wall: 3555.78, 0.00300509/step, 3.17788 hours remaining, 207.242188 MB of memory in use. ENERGY: 1193000 768.3093 2106.3080 1929.1732 109.9907 -206481.0867 17925.5930 0.0000 0.0000 34154.4065 -149487.3060 298.2789 -183641.7125 -149388.8892 298.2582 27.3007 59.7778 556319.4836 18.0676 17.9612 PRESSURE: 1193200 -109.823 59.3709 98.3815 59.3699 -83.0049 -93.1286 98.382 -93.1287 -270.104 GPRESSURE: 1193200 -52.3397 35.1666 48.2102 12.2922 -73.3963 33.3243 92.9306 -165.714 -237.284 PRESSAVG: 1193200 55.1671 46.6949 -22.6657 46.6949 -14.267 -17.4194 -22.6656 -17.4195 -5.88472 GPRESSAVG: 1193200 55.0449 44.8151 -22.3592 47.6971 -15.2932 -17.0803 -20.3678 -16.3749 -4.76899 TIMING: 1193200 CPU: 3556.38, 0.00301768/step Wall: 3556.38, 0.00301768/step, 3.19102 hours remaining, 207.242188 MB of memory in use. ENERGY: 1193200 768.3265 2101.4040 1929.9137 114.5221 -206313.8477 17634.7009 0.0000 0.0000 34175.7143 -149589.2663 298.4650 -183764.9806 -149492.1047 299.1940 -154.3105 -121.0067 558071.2763 11.6718 11.6609 PRESSURE: 1193400 41.5638 -22.8798 -57.649 -22.881 -2.37196 -114.856 -57.6476 -114.854 -2.82348 GPRESSURE: 1193400 109.823 21.7198 -102.623 -70.774 -5.9088 -204.269 -28.2251 -27.9905 26.2847 PRESSAVG: 1193400 39.5397 22.3225 -66.4306 22.3224 -54.9875 -13.5848 -66.4306 -13.5847 38.7295 GPRESSAVG: 1193400 38.2461 23.8332 -66.1161 19.8166 -54.1003 -12.8475 -68.3707 -14.7184 38.3809 TIMING: 1193400 CPU: 3556.98, 0.0030093/step Wall: 3556.98, 0.0030093/step, 3.182 hours remaining, 207.242188 MB of memory in use. ENERGY: 1193400 729.3909 2108.3075 1908.3823 105.5241 -206265.0015 17894.0611 0.0000 0.0000 34033.9529 -149485.3826 297.2270 -183519.3355 -149393.6439 298.4229 12.1228 43.3997 557677.1272 7.7605 7.5089 PRESSURE: 1193600 -332.651 132.382 -66.0392 132.381 -102.514 80.7272 -66.0402 80.7277 -372.466 GPRESSURE: 1193600 -351.619 133.493 -119.033 143.142 -32.7341 120.487 -74.7787 23.2185 -318.791 PRESSAVG: 1193600 42.5824 12.3464 -33.8807 12.3464 -54.1848 -3.86019 -33.8807 -3.86022 -35.8487 GPRESSAVG: 1193600 43.4032 12.033 -34.1778 14.4444 -54.3025 -6.29963 -31.9447 -3.33095 -36.1721 TIMING: 1193600 CPU: 3557.58, 0.00298611/step Wall: 3557.58, 0.00298611/step, 3.15732 hours remaining, 207.242188 MB of memory in use. ENERGY: 1193600 736.2995 2061.3016 1907.8489 104.1935 -205960.1311 17568.4457 0.0000 0.0000 34127.7978 -149454.2442 298.0465 -183582.0420 -149363.3843 298.3676 -269.2102 -234.3815 559629.5622 -15.8170 -15.6905 PRESSURE: 1193800 119.731 54.402 44.0799 54.4032 98.2143 -143.957 44.081 -143.958 -50.8632 GPRESSURE: 1193800 103.001 77.0053 79.997 -24.8948 149.74 -168.568 -27.7952 -81.7724 25.689 PRESSAVG: 1193800 -0.359099 18.3679 -33.9631 18.3678 24.2309 17.3191 -33.9631 17.3191 -0.434258 GPRESSAVG: 1193800 -0.759493 19.3596 -35.8 16.652 25.3966 20.1358 -33.239 17.1714 -1.64072 TIMING: 1193800 CPU: 3558.18, 0.0030076/step Wall: 3558.18, 0.0030076/step, 3.17987 hours remaining, 207.242188 MB of memory in use. ENERGY: 1193800 770.4631 2071.8989 1898.4388 121.4766 -206679.8773 18129.9312 0.0000 0.0000 34286.1998 -149401.4688 299.4299 -183687.6686 -149300.8087 298.8723 55.6939 92.8101 558225.9224 7.8125 7.6655 PRESSURE: 1194000 54.7567 83.3587 -8.63931 83.3576 -156.138 59.1432 -8.64011 59.1428 -36.8904 GPRESSURE: 1194000 112.577 65.8544 -27.25 81.9793 -156.114 20.143 -7.78092 77.8644 12.2532 PRESSAVG: 1194000 -5.68466 50.8314 11.8114 50.8314 -33.6574 10.2461 11.8114 10.2461 11.2993 GPRESSAVG: 1194000 -5.70793 49.1272 14.2973 51.5373 -33.9956 7.67327 8.69826 10.6608 12.2347 TIMING: 1194000 CPU: 3558.78, 0.00301725/step Wall: 3558.78, 0.00301725/step, 3.1899 hours remaining, 207.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1194000 769.9695 2098.3684 1915.1428 109.9108 -206456.0748 17782.9402 0.0000 0.0000 34422.0535 -149357.6896 300.6164 -183779.7431 -149255.7996 298.9651 -46.0905 -10.4279 556404.9238 -9.3476 -9.1563 PRESSURE: 1194200 37.7186 6.97313 9.22133 6.9722 -12.9097 -9.89007 9.22133 -9.89042 119.603 GPRESSURE: 1194200 50.7315 70.5437 -57.0274 51.2261 63.0776 -38.2296 69.0338 2.45486 129.15 PRESSAVG: 1194200 23.7179 -9.09266 -12.7117 -9.0926 -48.6047 -18.2821 -12.7116 -18.2821 37.9959 GPRESSAVG: 1194200 24.1602 -9.09123 -14.0449 -7.03104 -48.3433 -17.7614 -11.609 -18.0339 37.4793 TIMING: 1194200 CPU: 3559.38, 0.00300183/step Wall: 3559.38, 0.00300183/step, 3.17343 hours remaining, 207.242188 MB of memory in use. ENERGY: 1194200 766.2914 2149.3507 1909.7371 123.1147 -206341.0793 17795.2869 0.0000 0.0000 34307.7822 -149289.5163 299.6184 -183597.2985 -149191.0666 299.3598 48.1373 80.9863 556455.2731 4.3697 4.4320 PRESSURE: 1194400 72.3151 -127.342 -130.218 -127.342 66.8362 -13.4551 -130.219 -13.4569 -53.6413 GPRESSURE: 1194400 142.747 -65.0174 -203.564 -226.436 75.1312 -11.7481 -129.371 41.2317 -32.1391 PRESSAVG: 1194400 4.54533 -7.78637 -26.1289 -7.78635 -28.8084 -10.4339 -26.129 -10.4339 43.654 GPRESSAVG: 1194400 5.74795 -7.03234 -24.6377 -9.43762 -30.2301 -12.0858 -27.455 -9.23198 44.2037 TIMING: 1194400 CPU: 3559.98, 0.00297805/step Wall: 3559.98, 0.00297805/step, 3.14813 hours remaining, 207.242188 MB of memory in use. ENERGY: 1194400 739.4288 2058.4674 1933.6945 100.9664 -205919.4927 17678.3825 0.0000 0.0000 34280.6663 -149127.8868 299.3816 -183408.5531 -149031.5735 299.1888 28.5033 61.9129 559502.2441 6.4636 6.5738 PRESSURE: 1194600 11.0291 67.6505 153.698 67.6504 118.747 -40.0632 153.698 -40.0629 -124.478 GPRESSURE: 1194600 46.2879 17.7278 162.898 65.1197 159.333 -44.0848 145.413 -0.175323 -102.63 PRESSAVG: 1194600 0.467053 42.2113 23.2526 42.2112 -27.4228 -32.4898 23.2527 -32.4898 39.3804 GPRESSAVG: 1194600 -0.211993 43.7569 22.6562 43.1862 -27.658 -30.9501 25.6563 -33.0053 40.3307 TIMING: 1194600 CPU: 3560.58, 0.0030108/step Wall: 3560.58, 0.0030108/step, 3.18258 hours remaining, 207.242188 MB of memory in use. ENERGY: 1194600 727.8371 2075.8049 1940.7036 121.8918 -206073.5878 17724.9286 0.0000 0.0000 34221.0945 -149261.3274 298.8613 -183482.4219 -149166.0310 299.1049 1.7660 34.3302 558019.4712 4.1415 4.1536 PRESSURE: 1194800 -94.7365 160.908 -30.1046 160.908 -66.7844 62.355 -30.105 62.3538 186.11 GPRESSURE: 1194800 -56.1628 118.374 -11.8503 124.755 -20.3617 101.866 -47.9311 -24.3712 199.45 PRESSAVG: 1194800 7.92287 -13.3191 6.39686 -13.3192 55.0417 -14.6633 6.39683 -14.6633 4.05383 GPRESSAVG: 1194800 8.27417 -15.4062 6.51079 -11.7475 55.5193 -13.9169 5.48318 -13.3074 3.44218 TIMING: 1194800 CPU: 3561.18, 0.00299191/step Wall: 3561.18, 0.00299191/step, 3.16245 hours remaining, 207.242188 MB of memory in use. ENERGY: 1194800 749.4663 2068.8086 1949.6551 109.9184 -205923.6955 17809.2747 0.0000 0.0000 34109.8470 -149126.7255 297.8898 -183236.5725 -149030.1645 299.6305 8.1965 40.9752 556614.5974 22.3395 22.4119 PRESSURE: 1195000 -214.461 -7.99569 -85.2542 -7.99609 -66.0415 43.5186 -85.2545 43.5175 -6.21911 GPRESSURE: 1195000 -150.376 -9.06763 -144.531 17.9735 -45.4176 -58.7197 -49.974 160.165 3.92844 PRESSAVG: 1195000 -54.6657 -12.1189 -5.1992 -12.119 -23.6633 41.4691 -5.19917 41.469 46.6328 GPRESSAVG: 1195000 -54.3164 -10.3275 -5.6477 -14.0203 -23.0813 40.0256 -5.95399 39.0072 46.2551 TIMING: 1195000 CPU: 3561.78, 0.00300556/step Wall: 3561.78, 0.00300556/step, 3.17671 hours remaining, 207.242188 MB of memory in use. ENERGY: 1195000 747.1147 2092.7720 1928.8940 116.0503 -205655.7215 17393.1303 0.0000 0.0000 34303.3953 -149074.3649 299.5801 -183377.7602 -148979.0594 299.3402 -95.5737 -63.9549 556381.2519 -10.5654 -10.3809 PRESSURE: 1195200 234.368 -50.3552 83.3462 -50.3547 181.895 5.95609 83.3461 5.95571 -186.199 GPRESSURE: 1195200 286.256 -24.5409 111.582 -46.4254 220.351 19.3902 57.3146 0.719723 -184.453 PRESSAVG: 1195200 -4.84769 14.5134 11.9316 14.5134 34.6587 18.0486 11.9315 18.0486 -9.61969 GPRESSAVG: 1195200 -5.92462 12.615 12.1978 14.9555 34.701 19.2476 14.0714 18.3819 -8.42913 TIMING: 1195200 CPU: 3562.37, 0.00296814/step Wall: 3562.37, 0.00296814/step, 3.13699 hours remaining, 207.242188 MB of memory in use. ENERGY: 1195200 759.7956 2082.3718 1903.9785 112.0410 -206293.1554 17914.0970 0.0000 0.0000 34441.1535 -149079.7180 300.7832 -183520.8715 -148974.7042 299.8998 76.6882 107.3847 556772.5279 6.7304 6.7824 PRESSURE: 1195400 109.652 -12.1122 -79.898 -12.1122 -92.6617 -67.2996 -79.8992 -67.2986 67.412 GPRESSURE: 1195400 172.791 27.2387 -68.4754 -17.4321 -99.2033 -111.873 -84.885 -35.7667 117.943 PRESSAVG: 1195400 -4.50691 33.6085 -47.7351 33.6086 -7.13006 28.1224 -47.7352 28.1223 43.4257 GPRESSAVG: 1195400 -4.28394 35.0202 -49.1536 33.3982 -6.91661 27.1236 -48.4587 27.5666 42.8583 TIMING: 1195400 CPU: 3562.97, 0.00296209/step Wall: 3562.97, 0.00296209/step, 3.13044 hours remaining, 207.242188 MB of memory in use. ENERGY: 1195400 738.7257 2079.1901 1904.9892 101.8707 -206372.2664 18042.0483 0.0000 0.0000 34205.5854 -149299.8569 298.7259 -183505.4423 -149205.5623 300.1429 28.1342 63.8435 557438.9988 10.5962 10.5526 PRESSURE: 1195600 154.826 36.3697 57.4709 36.3706 -15.8776 -16.0975 57.4717 -16.0963 -114.671 GPRESSURE: 1195600 168.43 61.3827 93.5347 87.3343 101.297 -19.3065 48.394 -94.3134 -130.601 PRESSAVG: 1195600 22.4169 17.628 -25.242 17.6281 -26.6717 -17.2238 -25.2421 -17.2238 23.8716 GPRESSAVG: 1195600 22.7911 18.6655 -22.9756 16.5535 -26.9503 -15.773 -27.3413 -17.9171 24.4483 TIMING: 1195600 CPU: 3563.56, 0.0029668/step Wall: 3563.56, 0.0029668/step, 3.13525 hours remaining, 207.242188 MB of memory in use. ENERGY: 1195600 708.8857 2072.1252 1910.7350 107.1840 -206126.9664 17680.1282 0.0000 0.0000 34397.7264 -149250.1819 300.4039 -183647.9083 -149160.7323 299.1743 8.0927 46.3754 556307.2937 6.5389 6.7630 PRESSURE: 1195800 35.6858 7.21558 41.1351 7.21495 -61.7221 23.0429 41.1345 23.0421 -354.897 GPRESSURE: 1195800 35.3594 8.75653 57.4463 53.7906 -23.8072 134.207 6.77527 -52.4547 -302.299 PRESSAVG: 1195800 -40.7472 -11.9016 15.188 -11.9016 17.2507 -6.21375 15.188 -6.21371 14.338 GPRESSAVG: 1195800 -40.3582 -14.0822 13.5982 -11.4409 17.4178 -7.43588 16.268 -4.32463 13.6631 TIMING: 1195800 CPU: 3564.15, 0.00297043/step Wall: 3564.15, 0.00297043/step, 3.13891 hours remaining, 207.242188 MB of memory in use. ENERGY: 1195800 737.2124 2115.3487 1951.0198 96.0192 -206029.1455 17638.8605 0.0000 0.0000 34135.6776 -149355.0073 298.1154 -183490.6850 -149257.5172 299.5700 -126.9778 -96.9157 558230.3668 -3.0529 -3.0924 PRESSURE: 1196000 37.8467 72.0687 88.0166 72.0694 -7.23141 97.4184 88.0169 97.418 -10.8169 GPRESSURE: 1196000 65.4073 96.2501 54.529 75.7685 15.1462 132.374 10.3941 108.618 31.7352 PRESSAVG: 1196000 23.9113 -18.4336 -3.31553 -18.4337 20.9407 21.1791 -3.31554 21.1792 -71.4626 GPRESSAVG: 1196000 24.2488 -16.5859 -3.92546 -19.067 21.2281 21.8205 -2.64584 20.0997 -72.9809 TIMING: 1196000 CPU: 3564.75, 0.00300323/step Wall: 3564.75, 0.00300323/step, 3.17341 hours remaining, 207.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1196000 745.9542 2038.6033 1946.5636 104.9727 -206338.3371 17932.7294 0.0000 0.0000 34079.8854 -149489.6286 297.6281 -183569.5140 -149404.5408 299.1618 6.5995 37.4296 557727.7563 -8.8702 -9.1680 PRESSURE: 1196200 382.603 -11.0196 31.0946 -11.0191 214.344 67.2254 31.0946 67.2262 206.053 GPRESSURE: 1196200 405.387 8.15719 -39.4929 -71.5732 238.864 66.1066 -29.0073 39.5357 256.276 PRESSAVG: 1196200 2.18332 19.92 -21.7806 19.9201 50.3953 -18.1593 -21.7806 -18.1593 -51.8848 GPRESSAVG: 1196200 0.812792 19.5298 -17.4038 19.5207 50.8002 -19.4314 -23.5407 -18.1725 -50.3802 TIMING: 1196200 CPU: 3565.35, 0.00297403/step Wall: 3565.35, 0.00297403/step, 3.14239 hours remaining, 207.242188 MB of memory in use. ENERGY: 1196200 698.0651 2046.9482 1905.1318 109.5495 -206514.1943 18143.1698 0.0000 0.0000 34213.7125 -149397.6174 298.7969 -183611.3300 -149308.8935 298.9733 267.6666 300.1755 556885.1232 0.2313 0.4109 LDB: ============= START OF LOAD BALANCING ============== 3568.9 LDB: ============== END OF LOAD BALANCING =============== 3568.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3568.9 LDB: ============= START OF LOAD BALANCING ============== 3569.2 LDB: Largest compute 4773 load 0.026606 is 22.5% of average load 0.118193 LDB: Average compute 0.001723 is 1.5% of average load 0.118193 LDB: TIME 3569.2 LOAD: AVG 0.118193 MAX 0.210744 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.797 MB LDB: TIME 3569.2 LOAD: AVG 0.118193 MAX 0.210744 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.797 MB LDB: TIME 3569.2 LOAD: AVG 0.118193 MAX 0.210744 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.797 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3569.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3569.21 PRESSURE: 1196400 211.311 -114.806 152.735 -114.806 228.424 -42.4168 152.734 -42.4171 233.147 GPRESSURE: 1196400 307.527 -154.765 103.565 -124.072 241.183 -51.3927 171.131 -20.8835 221.87 PRESSAVG: 1196400 0.959214 -56.984 60.1051 -56.9841 11.6474 -30.9472 60.105 -30.9472 28.7429 GPRESSAVG: 1196400 1.81511 -57.3259 58.2004 -55.7017 12.1699 -29.3758 59.0931 -31.4606 27.368 TIMING: 1196400 CPU: 3565.96, 0.00303054/step Wall: 3565.96, 0.00303054/step, 3.20193 hours remaining, 206.308594 MB of memory in use. ENERGY: 1196400 734.5295 2061.8029 1901.6172 120.2638 -206876.4085 18357.2736 0.0000 0.0000 34404.8742 -149296.0473 300.4663 -183700.9215 -149200.8420 299.3140 224.2940 256.8600 556967.3881 13.7832 13.7843 PRESSURE: 1196600 -220.898 -102.531 118.175 -102.532 26.6463 -77.6708 118.174 -77.6691 66.2264 GPRESSURE: 1196600 -147.428 -49.8058 143.167 -140.33 39.9786 -59.7612 112.049 -112.228 85.8864 PRESSAVG: 1196600 63.7245 -64.7042 42.4948 -64.7043 5.88035 -11.6762 42.4949 -11.6761 -30.8292 GPRESSAVG: 1196600 63.5331 -62.8602 40.8265 -65.4394 6.41522 -12.5624 45.4596 -12.8568 -30.6801 TIMING: 1196600 CPU: 3566.55, 0.00297943/step Wall: 3566.55, 0.00297943/step, 3.14776 hours remaining, 206.308594 MB of memory in use. ENERGY: 1196600 775.3772 2025.8157 1899.6170 103.3361 -206157.7405 17871.6667 0.0000 0.0000 34333.2263 -149148.7015 299.8406 -183481.9278 -149051.3857 299.1055 -42.6750 -7.1877 556628.8067 12.9252 13.0894 PRESSURE: 1196800 175.753 173.695 176.888 173.696 -32.4166 9.61732 176.887 9.61548 272.493 GPRESSURE: 1196800 185.96 95.5977 161.6 180.306 -5.30496 -67.6863 115.422 23.3254 334.06 PRESSAVG: 1196800 12.299 -26.8004 36.0456 -26.8005 -9.27325 18.2392 36.0457 18.2392 12.1296 GPRESSAVG: 1196800 13.5277 -29.6731 35.6016 -25.8193 -9.92561 17.0995 36.1335 20.0628 11.775 TIMING: 1196800 CPU: 3567.15, 0.00298506/step Wall: 3567.15, 0.00298506/step, 3.15355 hours remaining, 206.308594 MB of memory in use. ENERGY: 1196800 742.6958 2104.6140 1910.3886 116.7769 -205977.7818 17897.7490 0.0000 0.0000 34163.9403 -149041.6172 298.3622 -183205.5575 -148944.9051 299.5383 138.6097 171.5716 555795.6372 5.0518 5.1257 PRESSURE: 1197000 110.134 77.1412 19.0666 77.1419 202.456 116.912 19.0667 116.913 -8.42591 GPRESSURE: 1197000 172.679 101.606 82.9684 165.265 237.146 167.447 28.9082 89.8408 13.2054 PRESSAVG: 1197000 -42.8103 -9.0384 -26.0086 -9.03846 8.19385 -34.0792 -26.0086 -34.0793 22.4822 GPRESSAVG: 1197000 -44.664 -7.82753 -24.5844 -9.73193 9.03201 -32.5046 -25.3349 -34.8712 23.665 TIMING: 1197000 CPU: 3567.74, 0.00298108/step Wall: 3567.74, 0.00298108/step, 3.14918 hours remaining, 206.308594 MB of memory in use. ENERGY: 1197000 757.2040 2121.9124 1892.3694 106.7242 -206328.2845 17962.2192 0.0000 0.0000 34484.7130 -149003.1422 301.1636 -183487.8552 -148910.6119 300.4321 101.3880 141.0102 557188.6973 -4.0448 -3.9890 PRESSURE: 1197200 99.5415 -116.966 -17.0153 -116.966 220.462 88.4282 -17.0154 88.4284 -160.439 GPRESSURE: 1197200 136.967 -213.834 79.416 -9.68973 212.328 87.8275 -32.4401 -39.8486 -104.485 PRESSAVG: 1197200 -30.2556 10.7527 -34.4984 10.7526 40.1655 -2.47188 -34.4985 -2.4719 22.9611 GPRESSAVG: 1197200 -29.2516 10.6059 -35.8551 11.9229 38.7939 -6.03168 -34.7324 -0.639387 23.3932 TIMING: 1197200 CPU: 3568.34, 0.00298017/step Wall: 3568.34, 0.00298017/step, 3.14805 hours remaining, 206.308594 MB of memory in use. ENERGY: 1197200 701.7886 2107.2327 1885.5271 109.6171 -206058.7834 17769.7134 0.0000 0.0000 34334.2927 -149150.6118 299.8499 -183484.9045 -149057.5771 299.8646 53.1879 81.6036 557085.1960 10.9570 10.9785 PRESSURE: 1197400 -247.719 -49.6611 -86.5008 -49.6608 -198.781 94.1828 -86.501 94.1817 -280.348 GPRESSURE: 1197400 -242.354 -78.5829 42.6226 9.72087 -148.499 96.8524 -145.295 91.128 -249.066 PRESSAVG: 1197400 9.35013 -24.2517 -32.0137 -24.2517 17.6414 -5.63005 -32.0137 -5.63008 -28.653 GPRESSAVG: 1197400 8.45745 -24.491 -30.716 -25.3642 19.1296 -2.28944 -33.5675 -6.4482 -29.7541 TIMING: 1197400 CPU: 3568.93, 0.00295392/step Wall: 3568.93, 0.00295392/step, 3.12016 hours remaining, 206.308594 MB of memory in use. ENERGY: 1197400 804.4810 2073.4914 1902.7607 117.2975 -205873.8232 17594.3366 0.0000 0.0000 34251.3243 -149130.1316 299.1253 -183381.4559 -149026.3943 299.7767 -242.2826 -213.3063 557700.8910 -0.5538 -0.7223 PRESSURE: 1197600 332.098 122.482 -14.2884 122.48 206.949 12.7089 -14.288 12.7096 -66.2927 GPRESSURE: 1197600 386.751 35.4228 32.9997 158.349 223.225 -68.4937 7.61916 54.0692 -40.3344 PRESSAVG: 1197600 30.7832 -62.913 -30.6399 -62.913 65.0055 -20.4971 -30.6398 -20.4971 -66.1746 GPRESSAVG: 1197600 31.1548 -62.2865 -31.0881 -63.2644 64.9632 -18.0329 -29.2748 -22.6215 -66.3848 TIMING: 1197600 CPU: 3569.52, 0.00293779/step Wall: 3569.52, 0.00293779/step, 3.10295 hours remaining, 206.308594 MB of memory in use. ENERGY: 1197600 727.8146 2058.6061 1930.1615 110.6804 -206339.6092 18019.8617 0.0000 0.0000 34452.9259 -149039.5590 300.8860 -183492.4849 -148938.4665 299.5357 157.5847 189.8808 557104.5597 9.8713 9.9110 PRESSURE: 1197800 -170.262 -73.634 100.809 -73.6322 86.2964 113.146 100.809 113.145 -38.4841 GPRESSURE: 1197800 -150.017 -52.2521 66.4398 -19.4168 99.6383 104.556 201.546 109.539 42.032 PRESSAVG: 1197800 20.7846 -11.2266 20.4841 -11.2266 61.2457 11.342 20.4841 11.342 -29.2086 GPRESSAVG: 1197800 22.1755 -13.36 16.7515 -9.38371 59.4916 9.44883 20.9205 12.7951 -29.5528 TIMING: 1197800 CPU: 3570.11, 0.00296544/step Wall: 3570.11, 0.00296544/step, 3.13199 hours remaining, 206.308594 MB of memory in use. ENERGY: 1197800 719.6783 2066.5650 1940.5006 107.6707 -205926.9483 17606.9688 0.0000 0.0000 34404.9249 -149080.6400 300.4668 -183485.5649 -148982.6723 300.4851 -40.8164 -2.7821 556043.2057 17.6072 17.3714 PRESSURE: 1198000 -223.73 -83.8587 -51.476 -83.858 40.3272 9.7826 -51.4755 9.78221 -262.074 GPRESSURE: 1198000 -140.275 -66.9414 -43.9742 -56.2631 63.8047 21.0279 10.0261 -4.25602 -278.987 PRESSAVG: 1198000 -63.8911 -31.736 43.8414 -31.736 72.9133 16.39 43.8414 16.3899 2.81654 GPRESSAVG: 1198000 -64.2769 -28.5064 48.518 -32.7169 73.8454 16.3401 40.0119 16.3516 2.26942 TIMING: 1198000 CPU: 3570.7, 0.00295898/step Wall: 3570.7, 0.00295898/step, 3.12501 hours remaining, 206.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1198000 782.3209 2080.7087 1904.8272 121.0901 -206119.3523 17668.0375 0.0000 0.0000 34516.6653 -149045.7026 301.4426 -183562.3679 -148946.8126 300.4032 -148.4923 -118.4857 556396.2725 3.9462 3.9460 PRESSURE: 1198200 135.299 26.7262 -24.0648 26.7263 -33.8754 -76.3711 -24.064 -76.3709 141.319 GPRESSURE: 1198200 182.075 69.9494 12.6593 10.7171 -20.6079 -77.7793 -42.0811 -75.5601 175.756 PRESSAVG: 1198200 -49.0289 -37.0508 10.3135 -37.0507 5.41692 -1.17766 10.3135 -1.17774 -17.4809 GPRESSAVG: 1198200 -50.189 -39.6757 9.0239 -37.3648 5.59886 -3.29614 13.0823 0.279076 -16.8679 TIMING: 1198200 CPU: 3571.29, 0.00294238/step Wall: 3571.29, 0.00294238/step, 3.10732 hours remaining, 206.308594 MB of memory in use. ENERGY: 1198200 742.3571 2075.4704 1913.5990 100.2511 -205934.8181 17902.5270 0.0000 0.0000 34191.2393 -149009.3743 298.6006 -183200.6135 -148919.7528 299.9641 80.9141 112.4079 558775.8828 -20.3643 -20.4860 PRESSURE: 1198400 77.6156 136.488 -19.7363 136.489 118.866 32.1092 -19.7371 32.1102 90.4701 GPRESSURE: 1198400 92.5961 144.027 -25.3336 153.447 159.268 -28.59 -37.5737 -49.0894 135.792 PRESSAVG: 1198400 -10.402 17.0013 43.5742 17.0013 59.9019 -27.6529 43.5742 -27.653 -5.4343 GPRESSAVG: 1198400 -8.95066 18.2494 41.9357 18.5248 57.9817 -25.3822 43.5054 -28.1584 -4.71844 TIMING: 1198400 CPU: 3571.88, 0.00293862/step Wall: 3571.88, 0.00293862/step, 3.10318 hours remaining, 206.308594 MB of memory in use. ENERGY: 1198400 754.0642 2096.3073 1912.1202 111.1119 -206351.0396 18153.5922 0.0000 0.0000 34245.4057 -149078.4382 299.0736 -183323.8439 -148981.3326 299.9678 95.6505 129.2189 557313.0928 14.6885 14.7709 PRESSURE: 1198600 -104.52 -54.184 89.3583 -54.1832 210.2 98.8007 89.3587 98.8002 165.055 GPRESSURE: 1198600 -107.73 -41.6142 122.604 -43.216 259.318 149.147 25.7251 54.9761 199.176 PRESSAVG: 1198600 -34.4994 2.24616 5.13325 2.24625 68.2242 70.231 5.1333 70.231 9.02394 GPRESSAVG: 1198600 -35.8409 2.31367 7.23812 0.00306968 68.5618 70.9082 3.69823 70.3358 9.88078 TIMING: 1198600 CPU: 3572.47, 0.00295229/step Wall: 3572.47, 0.00295229/step, 3.11745 hours remaining, 206.308594 MB of memory in use. ENERGY: 1198600 760.9330 2078.0036 1930.8786 111.1126 -206518.2816 17998.4304 0.0000 0.0000 34610.7745 -149028.1489 302.2645 -183638.9234 -148930.5015 300.6792 90.2452 116.9211 558697.6220 14.2496 14.2006 PRESSURE: 1198800 -170.013 -110.87 -50.2205 -110.87 142.675 -15.7557 -50.2194 -15.7553 -182.175 GPRESSURE: 1198800 -120.814 -163.59 -59.6893 -131.656 98.3799 -26.2099 -114.476 39.6693 -90.9396 PRESSAVG: 1198800 -51.7938 -50.4265 -33.6036 -50.4264 17.7113 19.8748 -33.6036 19.8749 83.7134 GPRESSAVG: 1198800 -51.9781 -50.3501 -34.3294 -49.7163 18.7806 18.7385 -30.951 19.5407 83.4643 TIMING: 1198800 CPU: 3573.07, 0.00297721/step Wall: 3573.07, 0.00297721/step, 3.1436 hours remaining, 206.308594 MB of memory in use. ENERGY: 1198800 739.9056 2068.4007 1928.0497 119.2942 -206167.0736 17749.2216 0.0000 0.0000 34341.2779 -149220.9238 299.9109 -183562.2017 -149122.0634 299.6854 -69.8379 -37.7911 556533.3706 16.5436 16.7556 PRESSURE: 1199000 44.376 -76.3866 56.2917 -76.3886 -98.0774 -32.1641 56.2894 -32.1649 168.893 GPRESSURE: 1199000 117.207 -107.354 74.1779 -131.506 -97.7616 -55.7743 82.807 29.0194 188.726 PRESSAVG: 1199000 -30.3404 -3.20457 -22.9398 -3.20465 16.8647 -8.13015 -22.9398 -8.13023 20.4525 GPRESSAVG: 1199000 -29.8451 -5.17049 -22.9563 -2.88471 16.976 -7.68025 -20.6708 -8.64664 20.2918 TIMING: 1199000 CPU: 3573.66, 0.00295993/step Wall: 3573.66, 0.00295993/step, 3.12519 hours remaining, 206.308594 MB of memory in use. ENERGY: 1199000 746.6706 2073.1663 1927.2042 106.4023 -206125.7039 17938.9892 0.0000 0.0000 34108.9154 -149224.3559 297.8816 -183333.2713 -149132.5114 299.3798 38.3973 69.3905 557701.9118 2.3256 2.4743 PRESSURE: 1199200 -5.99313 141.007 82.5365 141.006 -338.476 -90.795 82.5383 -90.7941 -49.576 GPRESSURE: 1199200 -8.73011 221.626 111.872 101.889 -270.443 -134.941 38.776 -40.6815 -27.1299 PRESSAVG: 1199200 36.4777 25.6459 10.2153 25.6459 -17.4721 18.5986 10.2154 18.5987 -27.5164 GPRESSAVG: 1199200 36.6197 28.8285 7.55151 25.0009 -18.6189 18.2951 8.27857 21.0171 -26.9322 TIMING: 1199200 CPU: 3574.26, 0.00301875/step Wall: 3574.26, 0.00301875/step, 3.18712 hours remaining, 206.308594 MB of memory in use. ENERGY: 1199200 743.3472 2098.6270 1940.5570 110.7914 -206046.0329 17702.0971 0.0000 0.0000 34303.4020 -149147.2112 299.5801 -183450.6132 -149053.0870 298.7677 -131.3485 -102.1011 558430.8534 -2.8369 -2.9771 PRESSURE: 1199400 -53.5534 53.109 -93.4172 53.1097 -120.223 -34.3976 -93.4177 -34.3991 44.6497 GPRESSURE: 1199400 -20.8401 20.8634 -26.4092 148.315 -90.9219 -49.9615 -102.482 -99.8234 75.022 PRESSAVG: 1199400 37.6511 23.2911 1.14349 23.2911 5.68993 57.8995 1.14357 57.8993 -18.9323 GPRESSAVG: 1199400 38.1285 20.9509 4.63161 25.6149 6.27506 60.2729 0.109521 55.5503 -19.9734 TIMING: 1199400 CPU: 3574.87, 0.00301968/step Wall: 3574.87, 0.00301968/step, 3.18794 hours remaining, 206.308594 MB of memory in use. ENERGY: 1199400 760.4411 2107.3231 1913.9109 119.5792 -205904.3696 17677.1805 0.0000 0.0000 34254.9763 -149070.9584 299.1572 -183325.9347 -148978.1623 299.7900 -43.0423 -12.2467 556797.3319 8.1363 8.1434 PRESSURE: 1199600 -138.679 49.6644 93.2162 49.6648 -89.2932 -127.65 93.2158 -127.648 174.2 GPRESSURE: 1199600 -129.57 109.409 35.207 46.1478 -12.0441 -131.103 51.4346 -65.7901 195.328 PRESSAVG: 1199600 -27.7127 -1.36004 7.36712 -1.36004 39.5658 -8.903 7.36717 -8.90303 15.9244 GPRESSAVG: 1199600 -27.9279 -0.128232 5.99202 -4.28013 40.584 -8.69586 4.99681 -8.85401 15.191 TIMING: 1199600 CPU: 3575.46, 0.00298801/step Wall: 3575.46, 0.00298801/step, 3.15434 hours remaining, 206.308594 MB of memory in use. ENERGY: 1199600 781.6390 2102.8310 1921.0395 113.6816 -206407.1323 17885.7360 0.0000 0.0000 34554.9227 -149047.2825 301.7767 -183602.2052 -148947.9664 299.9875 -17.9241 17.9049 558845.3814 9.2592 9.2824 PRESSURE: 1199800 -142.565 -115.029 -23.8424 -115.029 73.126 -8.03029 -23.8425 -8.02979 -78.888 GPRESSURE: 1199800 -170.316 -118.388 22.7894 -127.615 71.2687 42.4244 33.7291 27.1162 42.9242 PRESSAVG: 1199800 -65.9173 -6.47924 4.97607 -6.47929 -28.2081 11.4848 4.9761 11.4849 105.755 GPRESSAVG: 1199800 -66.0322 -7.24601 5.91667 -4.31292 -29.8019 11.6823 5.93991 10.653 107.138 TIMING: 1199800 CPU: 3576.06, 0.00300656/step Wall: 3576.06, 0.00300656/step, 3.17376 hours remaining, 206.308594 MB of memory in use. ENERGY: 1199800 738.7281 2093.6125 1899.8161 113.5966 -206136.8131 17676.3779 0.0000 0.0000 34566.2709 -149048.4110 301.8758 -183614.6820 -148955.8280 299.8845 -49.4423 -18.7075 559086.3394 3.8764 3.7680 PRESSURE: 1200000 -119.719 -84.1689 -110.397 -84.1697 -142.281 -17.119 -110.397 -17.1195 222.405 GPRESSURE: 1200000 -97.338 -103.22 -134.066 -101.599 -124.613 -39.7274 -89.7056 47.3655 285.274 PRESSAVG: 1200000 36.9973 -24.0955 -37.3827 -24.0956 1.88861 60.0855 -37.3826 60.0855 -14.8412 GPRESSAVG: 1200000 36.3546 -23.3656 -38.2844 -25.1746 1.92656 58.9412 -35.9032 59.9277 -14.3833 TIMING: 1200000 CPU: 3576.66, 0.00297809/step Wall: 3576.66, 0.00297809/step, 3.14354 hours remaining, 206.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1200000 781.2925 2116.5118 1942.9106 102.7211 -205850.1531 17787.3335 0.0000 0.0000 34036.4770 -149082.9065 297.2490 -183119.3835 -148996.5994 299.4109 -13.1984 21.1076 558671.9002 8.0149 7.9659 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1200000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 1200000 WRITING COORDINATES TO RESTART FILE AT STEP 1200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1200200 37.7865 -105.008 -78.7561 -105.008 -18.5724 -5.83678 -78.7552 -5.83785 30.5115 GPRESSURE: 1200200 75.2502 -44.2369 -0.797867 -184.19 0.766343 148.554 -121.278 19.089 64.515 PRESSAVG: 1200200 -2.19541 11.6414 34.9373 11.6414 -31.5853 13.698 34.9373 13.6979 -1.06651 GPRESSAVG: 1200200 -1.68794 11.2217 35.2248 13.2728 -31.1358 16.5862 34.7276 13.1844 -1.63736 TIMING: 1200200 CPU: 3577.27, 0.00303908/step Wall: 3577.27, 0.00303908/step, 3.20775 hours remaining, 206.308594 MB of memory in use. ENERGY: 1200200 786.4825 2159.4896 1918.2130 123.1774 -206431.8959 17987.6051 0.0000 0.0000 34335.6329 -149121.2953 299.8616 -183456.9282 -149034.5313 299.2837 16.5752 46.8439 557527.7589 -11.6157 -11.4870 LDB: ============= START OF LOAD BALANCING ============== 3580.81 LDB: ============== END OF LOAD BALANCING =============== 3580.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3580.82 LDB: ============= START OF LOAD BALANCING ============== 3581.11 LDB: Largest compute 4773 load 0.025517 is 21.6% of average load 0.118193 LDB: Average compute 0.001714 is 1.5% of average load 0.118193 LDB: TIME 3581.12 LOAD: AVG 0.118193 MAX 0.209509 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.57 MB LDB: TIME 3581.12 LOAD: AVG 0.118193 MAX 0.209509 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.57 MB LDB: TIME 3581.12 LOAD: AVG 0.118193 MAX 0.209509 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.57 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3581.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3581.12 PRESSURE: 1200400 99.1338 35.5167 83.4122 35.5191 60.3366 80.3931 83.4128 80.3945 47.7783 GPRESSURE: 1200400 166.954 52.9458 95.3278 8.29688 113.91 57.2065 -0.315746 74.2783 37.1136 PRESSAVG: 1200400 43.2302 -77.5962 54.389 -77.5961 -17.5159 9.17817 54.3891 9.17816 4.91928 GPRESSAVG: 1200400 43.142 -75.6853 55.2559 -81.1417 -16.7467 6.66304 53.3115 11.9398 4.41006 TIMING: 1200400 CPU: 3577.87, 0.00302743/step Wall: 3577.87, 0.00302743/step, 3.19528 hours remaining, 207.019531 MB of memory in use. ENERGY: 1200400 766.5735 2102.5191 1904.6335 121.6913 -206334.7725 17915.0145 0.0000 0.0000 34224.5113 -149299.8292 298.8912 -183524.3405 -149195.5551 299.3943 69.0829 105.9925 555676.5843 10.2112 10.2685 PRESSURE: 1200600 -21.6784 -14.7256 -53.7474 -14.7262 -116.982 -109.218 -53.7472 -109.22 -210.061 GPRESSURE: 1200600 1.61511 37.8211 33.3985 -45.6641 -82.5818 -124.005 -48.8553 -94.2562 -166.022 PRESSAVG: 1200600 5.81801 -38.042 -38.4075 -38.0421 -83.6021 4.48757 -38.4075 4.48754 27.0844 GPRESSAVG: 1200600 6.3148 -41.3244 -38.5441 -34.8343 -84.1536 4.53206 -39.2261 1.54567 26.929 TIMING: 1200600 CPU: 3578.47, 0.00296439/step Wall: 3578.47, 0.00296439/step, 3.12859 hours remaining, 207.019531 MB of memory in use. ENERGY: 1200600 723.1621 2037.1589 1910.8945 120.8065 -205842.5093 17572.4731 0.0000 0.0000 34206.1617 -149271.8526 298.7309 -183478.0143 -149168.2891 299.3648 -116.2406 -82.3294 557311.0940 -16.8999 -16.9699 PRESSURE: 1200800 -129.81 -73.4381 321.867 -73.4375 -193.757 25.7853 321.868 25.7848 -238.333 GPRESSURE: 1200800 -126.865 -37.7496 280.74 -52.4271 -134.168 55.3083 367.089 -33.0916 -202.247 PRESSAVG: 1200800 19.4461 36.8193 77.5427 36.8194 8.1154 -60.1762 77.5428 -60.1764 -14.8768 GPRESSAVG: 1200800 18.8951 36.5846 77.3754 37.5846 8.24641 -59.1468 78.9591 -59.8515 -14.0306 TIMING: 1200800 CPU: 3579.06, 0.00295889/step Wall: 3579.06, 0.00295889/step, 3.12262 hours remaining, 207.019531 MB of memory in use. ENERGY: 1200800 753.6117 2046.1780 1917.1690 109.1913 -205867.7851 17482.5232 0.0000 0.0000 34383.2678 -149175.8442 300.2776 -183559.1119 -149073.5547 299.1803 -187.3002 -154.4267 557317.4204 4.2282 4.3703 PRESSURE: 1201000 210.205 94.6947 261.494 94.6945 52.5934 35.4159 261.495 35.4165 90.6292 GPRESSURE: 1201000 293.047 75.5255 343.022 158.948 62.0543 55.5544 232.797 50.6392 102.398 PRESSAVG: 1201000 50.2007 49.289 111.035 49.2889 24.6158 -30.6328 111.035 -30.6327 -50.7581 GPRESSAVG: 1201000 50.3756 49.5026 109.718 47.5013 25.5082 -31.0495 112.608 -29.4284 -51.5203 TIMING: 1201000 CPU: 3579.65, 0.00296582/step Wall: 3579.65, 0.00296582/step, 3.12976 hours remaining, 207.019531 MB of memory in use. ENERGY: 1201000 727.0494 2115.8884 1934.6497 120.5838 -206607.7285 17979.8473 0.0000 0.0000 34548.6110 -149181.0989 301.7216 -183729.7099 -149086.1166 299.5035 117.8093 152.4999 557331.8484 8.0195 8.1212 PRESSURE: 1201200 -187.944 -1.09493 162.454 -1.09558 189.42 -40.1113 162.454 -40.1088 87.2738 GPRESSURE: 1201200 -115.451 46.1715 136.428 -9.58732 157.531 -14.863 184.889 -87.5276 159.156 PRESSAVG: 1201200 8.72816 -14.9466 50.977 -14.9466 35.7582 3.03676 50.9769 3.03671 -26.5394 GPRESSAVG: 1201200 8.43356 -12.7129 51.2116 -16.0026 36.1782 1.44659 48.7203 4.3369 -26.7298 TIMING: 1201200 CPU: 3580.25, 0.0029943/step Wall: 3580.25, 0.0029943/step, 3.15966 hours remaining, 207.019531 MB of memory in use. ENERGY: 1201200 786.6469 2046.8722 1930.5647 108.6733 -206404.3574 18012.3400 0.0000 0.0000 34319.1019 -149200.1584 299.7173 -183519.2602 -149110.8911 299.6455 29.5833 67.0787 558488.3853 5.9823 5.9607 PRESSURE: 1201400 -236.013 -127.48 25.1727 -127.481 -185.974 -27.9143 25.1742 -27.9153 -216.9 GPRESSURE: 1201400 -212.368 -114.385 88.0728 -61.5424 -131.92 49.9978 4.46127 45.1081 -208.029 PRESSAVG: 1201400 16.2041 -31.3144 52.4288 -31.3144 48.7397 15.0557 52.4287 15.0557 -33.8557 GPRESSAVG: 1201400 16.6438 -32.0637 52.2744 -29.7292 48.3933 15.2799 53.4426 14.0508 -34.1271 TIMING: 1201400 CPU: 3580.85, 0.00298442/step Wall: 3580.85, 0.00298442/step, 3.14906 hours remaining, 207.019531 MB of memory in use. ENERGY: 1201400 748.1622 2076.1699 1905.9222 97.3774 -206123.6875 17650.4781 0.0000 0.0000 34331.6488 -149313.9289 299.8268 -183645.5777 -149217.1036 299.0097 -212.9623 -184.1058 559180.4943 10.3627 10.3033 PRESSURE: 1201600 90.5347 11.6163 -42.6929 11.616 -193.851 36.3512 -42.6921 36.3522 -36.7114 GPRESSURE: 1201600 189.031 47.8352 -55.075 -11.6038 -195.099 49.738 -53.0156 131.521 -44.1496 PRESSAVG: 1201600 1.94246 -47.2317 -10.6669 -47.2318 26.1317 32.5306 -10.667 32.5305 -24.9042 GPRESSAVG: 1201600 2.61332 -44.6748 -10.8514 -48.2365 24.984 32.3126 -9.57962 33.9022 -24.0475 TIMING: 1201600 CPU: 3581.45, 0.00301816/step Wall: 3581.45, 0.00301816/step, 3.18449 hours remaining, 207.019531 MB of memory in use. ENERGY: 1201600 714.2592 2043.0720 1943.9795 109.0304 -206080.0337 17733.5546 0.0000 0.0000 34113.2818 -149422.8564 297.9198 -183536.1381 -149327.5606 298.9561 -46.6760 -16.7393 558844.5911 1.0566 1.1833 PRESSURE: 1201800 -105.708 -7.36325 35.0691 -7.3631 55.8929 -12.8948 35.0698 -12.8942 -111.608 GPRESSURE: 1201800 -105.197 10.1158 67.3553 -56.9185 149.148 3.11549 54.2757 63.1525 -110.091 PRESSAVG: 1201800 55.578 -54.2167 5.16881 -54.2168 -72.9169 51.8381 5.16888 51.8382 21.3517 GPRESSAVG: 1201800 54.9589 -56.7934 5.54314 -52.4902 -72.8329 52.368 4.85345 49.0542 21.6666 TIMING: 1201800 CPU: 3582.05, 0.00299585/step Wall: 3582.05, 0.00299585/step, 3.16079 hours remaining, 207.019531 MB of memory in use. ENERGY: 1201800 728.5464 2042.2915 1893.4549 126.5502 -205635.8367 17657.8513 0.0000 0.0000 34065.8981 -149121.2442 297.5060 -183187.1423 -149021.3684 298.7785 -53.8075 -22.0467 558135.9209 1.3376 1.2642 PRESSURE: 1202000 -310.203 -149.637 19.3943 -149.637 84.5525 -67.6313 19.3941 -67.6313 187.971 GPRESSURE: 1202000 -258.862 -91.3126 -32.5044 -107.964 152.192 -25.4388 41.1768 -66.6655 187.47 PRESSAVG: 1202000 -64.0036 -47.2254 13.6687 -47.2253 -6.14457 35.7826 13.6687 35.7826 14.3598 GPRESSAVG: 1202000 -64.0152 -46.1208 14.091 -47.3055 -5.63773 36.9079 13.1511 34.9602 13.7112 TIMING: 1202000 CPU: 3582.64, 0.00295872/step Wall: 3582.64, 0.00295872/step, 3.12145 hours remaining, 207.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1202000 794.0794 2045.1745 1902.9522 116.9779 -205760.0413 17777.4780 0.0000 0.0000 34191.0101 -148932.3693 298.5986 -183123.3794 -148831.8131 299.2642 -12.5597 26.9336 556246.2525 -18.5961 -18.6473 PRESSURE: 1202200 50.4442 86.383 -92.2614 86.3826 -31.1591 64.5281 -92.2619 64.529 53.6536 GPRESSURE: 1202200 60.0599 21.2114 3.99337 90.2817 -55.5698 70.8602 -34.772 30.1044 155.6 PRESSAVG: 1202200 -36.7124 -5.79692 39.2226 -5.79684 -13.1451 -18.0342 39.2226 -18.0342 78.9051 GPRESSAVG: 1202200 -37.119 -6.58801 38.5902 -4.1968 -14.047 -19.6735 38.947 -16.5085 79.9854 TIMING: 1202200 CPU: 3583.23, 0.00295907/step Wall: 3583.23, 0.00295907/step, 3.12165 hours remaining, 207.019531 MB of memory in use. ENERGY: 1202200 777.2006 2096.9350 1895.9300 107.8295 -205992.7059 17759.5083 0.0000 0.0000 34215.8708 -149139.4317 298.8157 -183355.3025 -149043.9751 299.5236 24.3129 53.3634 557205.0518 9.6826 9.6064 PRESSURE: 1202400 -44.1611 -71.0479 -4.46851 -71.049 15.8598 -139.351 -4.46658 -139.351 -10.918 GPRESSURE: 1202400 37.8124 -63.4498 17.3426 -123.548 39.2741 -185.742 8.18228 -150.457 -11.6843 PRESSAVG: 1202400 11.8777 0.815444 19.7127 0.815346 3.6495 -15.9235 19.7127 -15.9236 -16.9713 GPRESSAVG: 1202400 12.5112 2.14263 21.1362 -2.29418 4.55432 -14.7771 19.3889 -15.0268 -18.4151 TIMING: 1202400 CPU: 3583.83, 0.0029823/step Wall: 3583.83, 0.0029823/step, 3.14599 hours remaining, 207.019531 MB of memory in use. ENERGY: 1202400 749.6130 2022.4540 1942.2124 114.9412 -205959.8189 17764.5134 0.0000 0.0000 34144.2462 -149221.8388 298.1902 -183366.0850 -149128.6079 299.0886 -13.0731 21.8007 557342.8327 -0.4814 -0.4498 PRESSURE: 1202600 246.144 32.8003 26.9321 32.8008 132.786 -89.6929 26.9329 -89.693 45.1021 GPRESSURE: 1202600 225.363 -38.5986 55.8439 73.9131 177.569 -3.60999 9.49726 -130.076 125.667 PRESSAVG: 1202600 2.71539 37.4981 5.95508 37.4981 -37.0955 35.58 5.95516 35.58 45.2269 GPRESSAVG: 1202600 2.15524 38.1674 6.16067 38.1271 -37.0686 34.4612 5.30407 34.7742 46.198 TIMING: 1202600 CPU: 3584.43, 0.00298178/step Wall: 3584.43, 0.00298178/step, 3.14528 hours remaining, 207.019531 MB of memory in use. ENERGY: 1202600 786.8473 2094.1643 1923.1041 113.0849 -206363.5546 18147.1290 0.0000 0.0000 34266.6795 -149032.5455 299.2594 -183299.2250 -148937.0617 299.0240 141.3440 176.1995 557688.8789 3.6156 3.7615 PRESSURE: 1202800 2.86383 86.0111 22.5743 86.0122 70.2168 107.038 22.5738 107.039 -173.843 GPRESSURE: 1202800 -6.38062 52.6071 -3.33503 13.8845 98.6665 169.781 35.5345 103.837 -104.316 PRESSAVG: 1202800 -18.9134 4.11137 -3.84286 4.11119 -27.1712 66.5006 -3.8429 66.5007 39.5037 GPRESSAVG: 1202800 -17.8739 3.86229 -4.70171 3.84001 -26.6501 67.829 -2.27632 64.8023 38.8543 TIMING: 1202800 CPU: 3585.03, 0.00300091/step Wall: 3585.03, 0.00300091/step, 3.1653 hours remaining, 207.019531 MB of memory in use. ENERGY: 1202800 763.4753 2095.9498 1932.3746 110.5089 -205740.9863 17737.8553 0.0000 0.0000 34191.2677 -148909.5545 298.6008 -183100.8222 -148816.7597 299.5540 -33.5875 -4.0100 558862.7168 -2.1936 -1.8899 PRESSURE: 1203000 -374.778 -66.5231 -11.7938 -66.5227 -347.38 -62.4261 -11.7947 -62.4271 -331.565 GPRESSURE: 1203000 -307.537 -78.6427 5.13789 -78.1136 -283.94 -64.9651 -53.3526 -48.8565 -368.008 PRESSAVG: 1203000 -1.75905 -1.19786 -9.36963 -1.19794 -4.96708 62.3817 -9.36957 62.3816 42.0729 GPRESSAVG: 1203000 -1.18088 -2.2343 -10.2001 0.53356 -5.67883 61.8074 -8.58908 63.253 42.0309 TIMING: 1203000 CPU: 3585.62, 0.00298965/step Wall: 3585.62, 0.00298965/step, 3.15325 hours remaining, 207.019531 MB of memory in use. ENERGY: 1203000 741.6370 2096.8431 1925.9593 108.4493 -205405.5649 17296.3773 0.0000 0.0000 34257.9935 -148978.3054 299.1836 -183236.2989 -148880.7629 299.2239 -351.2412 -319.8283 559156.7455 11.7823 11.7237 PRESSURE: 1203200 -39.3806 -117.385 -76.9863 -117.386 -194.367 150.082 -76.9863 150.082 -132.762 GPRESSURE: 1203200 -89.1936 -124.635 -21.7318 -115.19 -101.04 126.991 -22.596 96.7973 -64.7378 PRESSAVG: 1203200 29.1688 -37.947 3.60405 -37.9469 -6.73126 7.79404 3.604 7.79397 18.9686 GPRESSAVG: 1203200 26.7022 -37.331 5.59359 -39.3967 -5.76894 7.60966 3.35464 7.38829 19.4178 TIMING: 1203200 CPU: 3586.23, 0.00300837/step Wall: 3586.23, 0.00300837/step, 3.17283 hours remaining, 207.019531 MB of memory in use. ENERGY: 1203200 730.2673 2088.9751 1943.5608 111.3953 -205972.9542 17609.2126 0.0000 0.0000 34452.7863 -149036.7569 300.8848 -183489.5432 -148940.2640 300.1209 -122.1699 -84.9905 559769.7822 13.8021 13.4504 PRESSURE: 1203400 193.855 38.0542 90.1419 38.0549 -89.9429 106.602 90.1398 106.603 -207.658 GPRESSURE: 1203400 174 -44.631 43.9258 91.1861 -26.3625 90.5818 228.932 114.839 -142.014 PRESSAVG: 1203400 34.7338 -49.7184 3.4861 -49.7184 -14.3741 -0.0876644 3.48613 -0.0876822 -13.9872 GPRESSAVG: 1203400 36.0118 -49.5236 3.34567 -47.979 -15.2861 0.0159504 1.90185 1.44226 -14.0419 TIMING: 1203400 CPU: 3586.83, 0.00299916/step Wall: 3586.83, 0.00299916/step, 3.16294 hours remaining, 207.019531 MB of memory in use. ENERGY: 1203400 735.9509 2032.6147 1945.1020 116.5188 -206088.2027 17727.0712 0.0000 0.0000 34345.4396 -149185.5054 299.9473 -183530.9450 -149082.5239 299.6784 -34.5818 1.8744 557153.8080 2.1241 2.2280 PRESSURE: 1203600 -130.603 -25.9923 83.9196 -25.9918 199.526 33.8001 83.9196 33.8029 -66.4166 GPRESSURE: 1203600 -58.6317 -6.10929 82.6371 -2.97362 214.105 7.44095 129.493 71.4497 -69.0849 PRESSAVG: 1203600 -26.8873 15.615 22.5372 15.615 28.5843 -6.5658 22.5373 -6.5659 -2.40834 GPRESSAVG: 1203600 -27.9891 16.1127 21.5214 13.6863 29.5978 -7.24449 23.1514 -6.04735 -1.89369 TIMING: 1203600 CPU: 3587.43, 0.00299719/step Wall: 3587.43, 0.00299719/step, 3.1607 hours remaining, 207.019531 MB of memory in use. ENERGY: 1203600 754.2047 2087.1227 1935.7994 123.4479 -206206.6066 17710.7754 0.0000 0.0000 34450.3098 -149144.9467 300.8631 -183595.2565 -149055.9476 299.8936 0.8354 28.7961 557556.1464 -0.2371 -0.0950 PRESSURE: 1203800 -149.654 -176.085 9.33716 -176.085 -320.051 95.5179 9.3366 95.5162 -163.592 GPRESSURE: 1203800 -135.925 -218.53 16.3791 -151.911 -280.521 112.958 -6.13751 74.5505 -125.832 PRESSAVG: 1203800 -7.55335 41.8034 -24.5643 41.8034 18.6476 53.7145 -24.5643 53.7146 -38.6182 GPRESSAVG: 1203800 -5.75364 39.6462 -23.569 42.9932 18.9162 56.4473 -26.7209 52.7647 -40.6861 TIMING: 1203800 CPU: 3588.03, 0.00300213/step Wall: 3588.03, 0.00300213/step, 3.16575 hours remaining, 207.019531 MB of memory in use. ENERGY: 1203800 768.2337 2067.7691 1917.9173 123.6694 -205695.4400 17395.4789 0.0000 0.0000 34227.8094 -149194.5623 298.9200 -183422.3716 -149091.5119 299.7449 -211.0990 -180.7596 558361.4706 -9.1746 -9.1745 PRESSURE: 1204000 -54.2397 201.624 90.1596 201.624 200.72 -70.6452 90.1599 -70.6444 -194.55 GPRESSURE: 1204000 -29.9426 275.011 68.9044 118.477 229.718 -121.755 48.2478 -14.7345 -131.789 PRESSAVG: 1204000 -47.8037 38.9175 9.46909 38.9177 46.595 29.5801 9.46915 29.58 21.0338 GPRESSAVG: 1204000 -49.251 39.5769 8.87919 38.5613 45.5867 27.1668 11.2979 31.001 23.1405 TIMING: 1204000 CPU: 3588.62, 0.00299102/step Wall: 3588.62, 0.00299102/step, 3.15386 hours remaining, 207.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1204000 753.5215 2105.8149 1959.0294 130.6805 -206225.7484 17777.1072 0.0000 0.0000 34189.3262 -149310.2687 298.5839 -183499.5950 -149219.0592 298.8624 -16.0231 22.6622 555761.8891 6.6084 6.4921 PRESSURE: 1204200 -167.781 -122.28 -45.6427 -122.279 113.21 167.427 -45.6416 167.426 -102.389 GPRESSURE: 1204200 -108.461 -236.453 -115.816 -73.516 158.163 195.495 37.4673 142.633 -118.086 PRESSAVG: 1204200 -5.22792 43.4195 -23.4413 43.4194 56.3525 30.3738 -23.4413 30.3737 -21.635 GPRESSAVG: 1204200 -5.22592 41.6208 -25.3141 44.6278 57.7831 29.9174 -21.2094 29.9171 -23.9348 TIMING: 1204200 CPU: 3589.22, 0.00299809/step Wall: 3589.22, 0.00299809/step, 3.16115 hours remaining, 207.019531 MB of memory in use. ENERGY: 1204200 762.8059 2045.0484 1938.6769 131.8192 -206049.8311 17675.7816 0.0000 0.0000 34261.2784 -149234.4207 299.2123 -183495.6991 -149132.9089 299.5498 -52.3197 -22.7947 555369.4972 9.8299 9.5408 LDB: ============= START OF LOAD BALANCING ============== 3592.77 LDB: ============== END OF LOAD BALANCING =============== 3592.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3592.78 LDB: ============= START OF LOAD BALANCING ============== 3593.08 LDB: Largest compute 4796 load 0.026853 is 22.7% of average load 0.118150 LDB: Average compute 0.001723 is 1.5% of average load 0.118150 LDB: TIME 3593.08 LOAD: AVG 0.11815 MAX 0.210473 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.02 MB LDB: TIME 3593.08 LOAD: AVG 0.11815 MAX 0.210473 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.02 MB LDB: TIME 3593.08 LOAD: AVG 0.11815 MAX 0.210473 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.02 MB LDB: ============== END OF LOAD BALANCING =============== 3593.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3593.09 PRESSURE: 1204400 -329.558 20.9523 -2.62995 20.9517 -10.4617 61.7404 -2.62944 61.7408 146.915 GPRESSURE: 1204400 -312.323 -6.39657 11.691 -6.88326 -0.692267 22.3141 75.9075 72.2588 223.788 PRESSAVG: 1204400 -128.087 30.8807 -23.5812 30.8807 35.3103 20.4651 -23.5813 20.4651 118.991 GPRESSAVG: 1204400 -127.507 30.448 -21.4939 30.4236 33.6468 19.7985 -24.4036 19.6053 120.372 TIMING: 1204400 CPU: 3589.84, 0.00306636/step Wall: 3589.84, 0.00306636/step, 3.23297 hours remaining, 206.769531 MB of memory in use. ENERGY: 1204400 787.6970 2055.1161 1933.2690 125.9118 -206089.6234 17599.0817 0.0000 0.0000 34340.9011 -149247.6468 299.9076 -183588.5479 -149145.9609 298.9348 -64.3682 -29.7423 556951.0554 8.7383 8.8375 PRESSURE: 1204600 -132.505 -176.976 39.7466 -176.975 -91.7357 -160.388 39.748 -160.388 21.611 GPRESSURE: 1204600 -101.037 -104.052 3.61955 -240.187 -111.318 -165.719 114.919 -150.868 93.281 PRESSAVG: 1204600 -35.2306 -54.4375 47.7291 -54.4376 -74.5124 42.6605 47.7291 42.6604 88.7662 GPRESSAVG: 1204600 -35.5125 -54.7198 47.616 -54.1316 -73.7746 43.6399 45.9229 41.4036 88.9017 TIMING: 1204600 CPU: 3590.44, 0.00303657/step Wall: 3590.44, 0.00303657/step, 3.20139 hours remaining, 206.769531 MB of memory in use. ENERGY: 1204600 764.4159 2069.3908 1939.9586 111.1623 -206034.8413 17777.4658 0.0000 0.0000 34310.9129 -149061.5349 299.6457 -183372.4478 -148963.3652 298.8745 -67.5433 -39.6912 558133.0585 -6.9923 -6.7951 PRESSURE: 1204800 -130.378 50.3409 -37.4412 50.3423 -93.6064 14.0117 -37.4413 14.012 188.2 GPRESSURE: 1204800 -88.3062 60.5252 -20.9442 51.6147 -11.1757 13.8089 -105.015 16.4797 150.36 PRESSAVG: 1204800 -12.1486 -35.0306 11.7005 -35.0306 -65.2069 -24.4599 11.7005 -24.4598 60.1777 GPRESSAVG: 1204800 -11.925 -34.2951 11.0967 -34.2644 -66.3215 -24.8561 14.3917 -20.7215 60.9056 TIMING: 1204800 CPU: 3591.04, 0.00299895/step Wall: 3591.04, 0.00299895/step, 3.16156 hours remaining, 206.769531 MB of memory in use. ENERGY: 1204800 735.2855 2026.1072 1936.5854 108.9759 -206018.3811 17704.3040 0.0000 0.0000 34239.6014 -149267.5217 299.0230 -183507.1231 -149173.5366 298.9659 -11.9280 16.9595 557080.4561 -5.7259 -5.7803 PRESSURE: 1205000 -23.0797 -36.5407 -2.84206 -36.5409 186.404 -135.227 -2.84097 -135.228 285.528 GPRESSURE: 1205000 38.6464 -77.4652 -49.8414 -60.2371 248.133 -95.5157 103.435 -104.939 260.774 PRESSAVG: 1205000 -16.6496 2.50185 -12.2043 2.50178 9.35948 -38.617 -12.2044 -38.6169 34.7047 GPRESSAVG: 1205000 -15.4539 1.58255 -11.472 3.68802 8.51518 -37.2298 -14.202 -40.865 34.8433 TIMING: 1205000 CPU: 3591.64, 0.00297901/step Wall: 3591.64, 0.00297901/step, 3.14038 hours remaining, 206.769531 MB of memory in use. ENERGY: 1205000 739.3648 2073.7469 1923.8356 134.1341 -206260.7852 18080.0804 0.0000 0.0000 33995.5549 -149314.0684 296.8916 -183309.6233 -149222.3453 299.1265 149.6173 182.5179 556560.9103 9.1382 9.3015 PRESSURE: 1205200 -151.118 -63.2074 31.7032 -63.2078 -185.993 -115.67 31.7048 -115.67 -355.934 GPRESSURE: 1205200 -171.798 -75.4522 55.4451 -90.8854 -89.0519 -92.7349 54.3046 -122.323 -337.296 PRESSAVG: 1205200 34.2741 -42.9707 -15.8247 -42.9707 -42.5317 -30.0444 -15.8247 -30.0445 2.04163 GPRESSAVG: 1205200 33.0203 -40.6818 -16.3054 -45.38 -41.1101 -29.9575 -14.652 -29.7242 1.23149 TIMING: 1205200 CPU: 3592.23, 0.00297139/step Wall: 3592.23, 0.00297139/step, 3.13218 hours remaining, 206.769531 MB of memory in use. ENERGY: 1205200 739.7517 2130.9179 1929.5089 114.2134 -205663.2736 17331.1133 0.0000 0.0000 34253.3812 -149164.3872 299.1433 -183417.7684 -149073.4349 299.4280 -231.0148 -199.3820 557971.0061 -2.0720 -2.2861 PRESSURE: 1205400 149.553 -48.8719 -111.933 -48.873 56.3884 94.8072 -111.932 94.8068 -51.5735 GPRESSURE: 1205400 174.534 35.3469 -92.6715 123.407 44.3459 94.449 -148.758 58.4344 42.6369 PRESSAVG: 1205400 -5.65908 -47.3775 36.6832 -47.3775 -14.747 -51.4884 36.6832 -51.4884 33.305 GPRESSAVG: 1205400 -5.45969 -45.7781 37.6073 -47.9927 -14.5723 -51.3238 35.8887 -52.5544 32.8549 TIMING: 1205400 CPU: 3592.83, 0.00297413/step Wall: 3592.83, 0.00297413/step, 3.1349 hours remaining, 206.769531 MB of memory in use. ENERGY: 1205400 756.7398 2086.8168 1950.5457 111.4516 -206099.8808 17778.1368 0.0000 0.0000 34277.5928 -149138.5974 299.3547 -183416.1901 -149040.3093 299.3463 51.4560 87.1722 558360.3465 4.2996 4.2743 PRESSURE: 1205600 -253.517 5.99329 -137.215 5.99295 -156.308 65.2422 -137.214 65.2421 48.7009 GPRESSURE: 1205600 -183.235 -39.7742 -154.659 -38.8336 -85.0587 73.0278 -12.1149 71.0484 13.8566 PRESSAVG: 1205600 59.7492 30.9615 -49.3634 30.9616 -13.8252 -10.384 -49.3635 -10.384 -44.5516 GPRESSAVG: 1205600 58.9144 28.4175 -49.1145 31.6675 -13.7133 -11.8493 -49.3801 -10.9119 -43.8746 TIMING: 1205600 CPU: 3593.43, 0.00301443/step Wall: 3593.43, 0.00301443/step, 3.1772 hours remaining, 206.769531 MB of memory in use. ENERGY: 1205600 725.7978 2068.5143 1950.6579 108.2957 -205950.0577 17693.1531 0.0000 0.0000 34257.6498 -149145.9890 299.1806 -183403.6389 -149051.5804 299.1899 -120.3746 -84.8124 559636.0165 0.4575 0.4422 PRESSURE: 1205800 -506.407 -91.9173 121.975 -91.9183 -228.442 90.2302 121.977 90.2294 -229.161 GPRESSURE: 1205800 -504.395 -70.8817 155.614 -160.852 -110.377 87.3881 33.2499 19.3712 -251.307 PRESSAVG: 1205800 14.2925 52.6277 -25.974 52.6278 -2.17148 20.3257 -25.974 20.3256 -14.3197 GPRESSAVG: 1205800 13.8635 53.2997 -28.9028 51.5356 -1.79478 20.0723 -23.6792 22.5243 -14.5946 TIMING: 1205800 CPU: 3594.03, 0.00301369/step Wall: 3594.03, 0.00301369/step, 3.17626 hours remaining, 206.769531 MB of memory in use. ENERGY: 1205800 742.6783 2059.8450 1930.4048 107.2215 -205701.9063 17471.7226 0.0000 0.0000 34322.3045 -149067.7295 299.7452 -183390.0340 -148965.0500 299.3440 -321.3367 -288.6929 559884.9100 -0.7329 -0.8420 PRESSURE: 1206000 171.506 -2.61598 57.6694 -2.61718 -31.2357 -104.959 57.6687 -104.959 116.861 GPRESSURE: 1206000 245.678 -31.0206 43.8245 87.3238 -32.0204 -154.648 114.734 -56.2977 142.258 PRESSAVG: 1206000 -29.3854 20.9055 -5.35473 20.9054 26.1493 -20.5453 -5.35465 -20.5452 11.5727 GPRESSAVG: 1206000 -28.7054 20.2146 -3.22154 22.7516 25.2339 -18.808 -6.94499 -21.7154 11.2756 TIMING: 1206000 CPU: 3594.64, 0.00303671/step Wall: 3594.64, 0.00303671/step, 3.20035 hours remaining, 206.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1206000 713.6963 2140.9517 1944.7766 114.1773 -206161.4213 17922.4925 0.0000 0.0000 34284.7678 -149040.5591 299.4174 -183325.3270 -148942.6779 299.5622 85.7104 118.6388 558713.4314 2.7789 2.6014 PRESSURE: 1206200 -258.665 6.65848 157.481 6.65792 -252.013 37.2364 157.481 37.2378 -41.5613 GPRESSURE: 1206200 -233.15 -11.485 97.8145 -7.99073 -183.385 26.3101 152.447 43.9715 -25.3484 PRESSAVG: 1206200 -95.6138 37.2306 6.65629 37.2306 89.5101 28.7001 6.6563 28.7002 12.5134 GPRESSAVG: 1206200 -95.6892 38.683 7.60872 36.7066 89.2776 28.0566 7.10162 29.1902 12.6934 TIMING: 1206200 CPU: 3595.24, 0.00299862/step Wall: 3595.24, 0.00299862/step, 3.16004 hours remaining, 206.769531 MB of memory in use. ENERGY: 1206200 751.2983 2086.6001 1920.7405 113.5570 -205885.2121 17655.2847 0.0000 0.0000 34344.4195 -149013.3121 299.9384 -183357.7316 -148910.7378 299.9614 -184.0796 -147.2948 559589.7114 2.1366 2.0940 PRESSURE: 1206400 -425.097 160.994 48.0393 160.994 -114.199 59.2029 48.0409 59.201 -197.502 GPRESSURE: 1206400 -427.627 174.617 -59.5863 135.519 -64.9254 68.5941 86.9907 76.6873 -158.434 PRESSAVG: 1206400 -14.084 -41.6495 -17.7548 -41.6493 37.5035 -30.9403 -17.7547 -30.9404 -29.1084 GPRESSAVG: 1206400 -14.4137 -42.4824 -18.1923 -42.5372 38.5066 -30.246 -19.854 -30.0033 -29.3243 TIMING: 1206400 CPU: 3595.84, 0.00297794/step Wall: 3595.84, 0.00297794/step, 3.13809 hours remaining, 206.769531 MB of memory in use. ENERGY: 1206400 767.8239 2094.3460 1904.0113 108.2333 -205892.9156 17400.6397 0.0000 0.0000 34384.0272 -149233.8343 300.2843 -183617.8614 -149128.5888 299.8169 -245.5990 -216.9956 559004.0097 -1.8963 -1.7438 PRESSURE: 1206600 37.6104 -107.296 13.5773 -107.295 79.0299 -22.5404 13.5775 -22.5388 254.247 GPRESSURE: 1206600 85.4941 -79.3447 116.597 -133.368 100.284 -31.7199 -74.5198 -95.9085 274.74 PRESSAVG: 1206600 -38.8311 -64.9016 25.5501 -64.9015 -28.1941 -9.75713 25.5502 -9.75711 17.6685 GPRESSAVG: 1206600 -37.5842 -63.9544 26.6498 -64.475 -27.6968 -10.956 25.4595 -10.106 16.2904 TIMING: 1206600 CPU: 3596.44, 0.00301718/step Wall: 3596.44, 0.00301718/step, 3.17927 hours remaining, 206.769531 MB of memory in use. ENERGY: 1206600 724.2735 2062.0631 1929.0585 123.1752 -206329.2455 18002.3161 0.0000 0.0000 34098.7329 -149389.6263 297.7927 -183488.3592 -149300.2847 299.1800 123.6291 153.5061 557172.5826 -16.4523 -16.3302 PRESSURE: 1206800 74.142 -17.7337 -104.358 -17.7341 315.624 3.43469 -104.359 3.43467 -109.623 GPRESSURE: 1206800 142.716 -14.7482 -51.1528 -12.9461 292.502 -56.8954 -58.2713 -60.4729 -56.0184 PRESSAVG: 1206800 -26.3923 -61.8152 4.40514 -61.8152 72.9035 -12.6339 4.40517 -12.6339 -28.0102 GPRESSAVG: 1206800 -27.2047 -61.0829 2.27451 -62.3055 72.8989 -12.466 5.12097 -13.9967 -27.0066 TIMING: 1206800 CPU: 3597.03, 0.00297217/step Wall: 3597.03, 0.00297217/step, 3.13168 hours remaining, 206.769531 MB of memory in use. ENERGY: 1206800 772.8901 2041.8367 1891.2568 111.9090 -206323.9610 17906.1675 0.0000 0.0000 34272.3954 -149327.5055 299.3094 -183599.9009 -149238.7248 299.0800 93.3812 126.3996 555985.2585 6.1670 6.2292 PRESSURE: 1207000 -77.8275 -90.5992 78.5321 -90.6001 -53.9907 94.8923 78.5318 94.8917 -34.4863 GPRESSURE: 1207000 -48.1133 -33.5964 152.42 -33.1378 -45.4795 5.84654 -6.92893 43.6235 22.284 PRESSAVG: 1207000 -49.7078 -47.1286 -26.0343 -47.1286 10.3134 6.92785 -26.0343 6.92793 -13.3006 GPRESSAVG: 1207000 -48.8019 -47.4413 -24.1046 -46.7818 9.4062 6.83452 -26.5561 5.94488 -13.2627 TIMING: 1207000 CPU: 3597.63, 0.00297812/step Wall: 3597.63, 0.00297812/step, 3.13778 hours remaining, 206.769531 MB of memory in use. ENERGY: 1207000 774.3714 2127.8160 1917.9673 109.9995 -206315.8374 17797.3864 0.0000 0.0000 34367.3732 -149220.9235 300.1388 -183588.2967 -149124.9471 299.5690 -55.4348 -23.7696 557091.9825 -17.5650 -17.5528 PRESSURE: 1207200 2.36692 -36.7568 -102.812 -36.7567 -184.763 48.1162 -102.811 48.1141 123.809 GPRESSURE: 1207200 -15.785 -80.9986 -278.846 -47.9489 -127.203 -31.3193 -14.6357 60.3649 190.939 PRESSAVG: 1207200 -54.2131 -7.19641 -16.0611 -7.19652 -32.0684 4.339 -16.0612 4.33898 102.913 GPRESSAVG: 1207200 -54.7701 -8.04925 -16.8194 -6.31004 -30.5848 4.50737 -13.0827 5.83911 102.649 TIMING: 1207200 CPU: 3598.23, 0.00301269/step Wall: 3598.23, 0.00301269/step, 3.17404 hours remaining, 206.769531 MB of memory in use. ENERGY: 1207200 760.2514 2091.3392 1910.2287 114.5809 -206363.9329 18008.7029 0.0000 0.0000 34198.5663 -149280.2634 298.6646 -183478.8297 -149194.4306 300.1797 -19.5291 15.9837 557689.6719 5.5437 5.7646 PRESSURE: 1207400 -130.906 -30.6349 -68.4952 -30.6346 -182.179 -53.3983 -68.4963 -53.3981 38.6574 GPRESSURE: 1207400 -95.411 -22.0716 -91.7144 -97.2287 -181.239 11.6205 -31.762 -21.4596 108.96 PRESSAVG: 1207400 14.1437 -18.9108 -13.1776 -18.9109 -58.4692 -22.6461 -13.1776 -22.6462 32.5744 GPRESSAVG: 1207400 14.7653 -18.2628 -12.8513 -20.6605 -59.0923 -22.1011 -16.1912 -21.9577 32.4385 TIMING: 1207400 CPU: 3598.83, 0.00300284/step Wall: 3598.83, 0.00300284/step, 3.1635 hours remaining, 206.769531 MB of memory in use. ENERGY: 1207400 716.3536 2033.9198 1917.8496 114.1395 -206168.2556 17746.7893 0.0000 0.0000 34359.5527 -149279.6513 300.0705 -183639.2039 -149188.3331 299.1321 -91.4758 -55.8966 558530.5734 -3.9170 -3.9628 PRESSURE: 1207600 239.777 -59.4069 26.547 -59.4077 322.625 96.5048 26.5464 96.5032 -161.696 GPRESSURE: 1207600 274.188 -20.9343 -19.0135 -45.7672 349.307 123.916 79.4379 -24.5432 -125.558 PRESSAVG: 1207600 29.0789 -8.54689 -6.31993 -8.54693 -19.816 -22.2091 -6.31991 -22.2091 -23.4975 GPRESSAVG: 1207600 28.4503 -8.16883 -7.24138 -8.13272 -19.8428 -22.4475 -5.56421 -23.5631 -22.8899 TIMING: 1207600 CPU: 3599.44, 0.00301716/step Wall: 3599.44, 0.00301716/step, 3.17841 hours remaining, 206.769531 MB of memory in use. ENERGY: 1207600 735.2089 2084.4585 1924.4410 110.0735 -206468.5766 18085.6984 0.0000 0.0000 34201.1361 -149327.5602 298.6870 -183528.6963 -149229.3081 298.8514 133.5688 165.9788 557860.1744 -4.7449 -4.7608 PRESSURE: 1207800 22.3056 90.7853 109.829 90.7846 -26.7989 -221.667 109.829 -221.668 -165.446 GPRESSURE: 1207800 31.5391 38.1507 125.707 147.553 -5.16479 -216.955 168.909 -188.092 -102.894 PRESSAVG: 1207800 30.6563 -100.267 -64.4648 -100.267 23.0819 -18.6049 -64.4649 -18.6049 -23.7918 GPRESSAVG: 1207800 30.9101 -101.059 -63.5211 -98.2668 22.8778 -19.6152 -63.9736 -15.0986 -23.4891 TIMING: 1207800 CPU: 3600.05, 0.00304749/step Wall: 3600.05, 0.00304748/step, 3.21019 hours remaining, 206.769531 MB of memory in use. ENERGY: 1207800 748.4774 2079.5682 1911.1066 105.4785 -206292.4162 17835.8688 0.0000 0.0000 34367.4206 -149244.4963 300.1392 -183611.9169 -149140.0135 299.1114 -56.6463 -25.5064 558530.2282 9.9821 10.0996 PRESSURE: 1208000 33.6116 39.8217 -171.914 39.8213 127.891 56.3879 -171.913 56.3872 -128.613 GPRESSURE: 1208000 49.368 67.0043 -166.415 -74.7743 164.192 21.4203 -137.025 29.0101 -88.5186 PRESSAVG: 1208000 -14.6659 -40.4613 -46.3842 -40.4613 88.4728 -26.6664 -46.3842 -26.6665 -72.64 GPRESSAVG: 1208000 -15.3695 -40.9503 -45.7751 -40.7931 89.1996 -25.1873 -47.4631 -30.8031 -72.5506 TIMING: 1208000 CPU: 3600.65, 0.00301506/step Wall: 3600.65, 0.00301506/step, 3.17587 hours remaining, 206.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1208000 776.6731 2147.9695 1940.3553 102.6771 -206361.0938 17885.4225 0.0000 0.0000 34221.8735 -149286.1228 298.8681 -183507.9963 -149184.0884 299.2482 10.9631 41.6803 556947.7517 0.3890 0.4265 PRESSURE: 1208200 140.45 -51.6188 -110.094 -51.6197 168.192 -216.96 -110.096 -216.959 72.9122 GPRESSURE: 1208200 153.201 -72.9324 -56.733 -106.548 242.321 -149.123 -145.728 -192.557 65.2664 PRESSAVG: 1208200 -19.5436 -31.9235 -59.0829 -31.9235 35.2875 -62.9979 -59.083 -62.9979 73.6668 GPRESSAVG: 1208200 -20.2145 -29.7894 -58.1471 -31.7971 35.4447 -64.3653 -58.3786 -60.587 73.5086 TIMING: 1208200 CPU: 3601.25, 0.00300435/step Wall: 3601.25, 0.00300435/step, 3.16442 hours remaining, 206.769531 MB of memory in use. ENERGY: 1208200 740.5628 2066.7193 1923.4855 112.5263 -206503.0341 18040.8335 0.0000 0.0000 34187.6942 -149431.2126 298.5696 -183618.9068 -149334.0463 299.5557 127.1850 153.5963 557189.9964 29.8036 29.5796 LDB: ============= START OF LOAD BALANCING ============== 3604.8 LDB: ============== END OF LOAD BALANCING =============== 3604.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3604.8 LDB: ============= START OF LOAD BALANCING ============== 3605.1 LDB: Largest compute 4773 load 0.026054 is 22.0% of average load 0.118227 LDB: Average compute 0.001729 is 1.5% of average load 0.118227 LDB: TIME 3605.1 LOAD: AVG 0.118227 MAX 0.210646 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 3605.1 LOAD: AVG 0.118227 MAX 0.210646 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.199 MB LDB: TIME 3605.1 LOAD: AVG 0.118227 MAX 0.210646 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.199 MB LDB: ============== END OF LOAD BALANCING =============== 3605.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3605.11 PRESSURE: 1208400 -68.0202 -119.82 -32.2097 -119.819 37.2595 -116.996 -32.2105 -116.996 75.3908 GPRESSURE: 1208400 -13.2689 -176.469 -80.8861 -21.2011 90.5016 -113.502 41.3893 -139.864 65.6474 PRESSAVG: 1208400 -27.2781 7.73475 -23.1356 7.73469 41.1315 -43.9152 -23.1357 -43.9154 12.8924 GPRESSAVG: 1208400 -26.3036 7.14729 -24.6575 7.88176 40.9523 -44.5225 -22.3248 -44.4501 12.3759 TIMING: 1208400 CPU: 3601.86, 0.00303291/step Wall: 3601.86, 0.00303291/step, 3.19432 hours remaining, 208.503906 MB of memory in use. ENERGY: 1208400 763.9766 2035.2527 1920.0955 102.7418 -206274.6365 17682.8019 0.0000 0.0000 34276.1671 -149493.6008 299.3423 -183769.7680 -149393.6419 298.6527 14.8767 47.6267 555485.7859 8.9153 9.0082 PRESSURE: 1208600 90.0352 -41.8084 163.021 -41.808 160.805 45.6625 163.021 45.6627 66.9678 GPRESSURE: 1208600 17.8085 -77.4036 183.837 -26.3702 250.693 208.178 129.567 -37.3085 138.404 PRESSAVG: 1208600 -24.4392 -38.7742 3.34237 -38.7743 14.294 -13.9295 3.34239 -13.9296 34.9465 GPRESSAVG: 1208600 -24.7662 -39.0275 2.97385 -39.0468 13.5602 -12.6864 4.57103 -15.875 36.0663 TIMING: 1208600 CPU: 3602.46, 0.0030038/step Wall: 3602.46, 0.0030038/step, 3.1635 hours remaining, 208.703125 MB of memory in use. ENERGY: 1208600 741.9306 2088.8900 1928.8445 114.5718 -206604.1525 18177.1370 0.0000 0.0000 34159.5212 -149393.2574 298.3236 -183552.7785 -149297.6769 298.7644 105.9361 135.6354 557812.3407 8.2671 8.2868 PRESSURE: 1208800 -146.334 103.667 -122.853 103.666 -50.9748 -119.534 -122.853 -119.534 -147.416 GPRESSURE: 1208800 -119.085 116.393 -204.007 30.5794 28.1968 -102.414 -125.587 -195.34 -162.066 PRESSAVG: 1208800 10.4241 -4.99091 -36.2792 -4.99092 11.9742 -49.4561 -36.2792 -49.4561 -30.7516 GPRESSAVG: 1208800 11.653 -4.80092 -35.7758 -5.62532 12.9067 -49.977 -37.6737 -47.7048 -32.7321 TIMING: 1208800 CPU: 3603.06, 0.00298894/step Wall: 3603.06, 0.00298894/step, 3.14769 hours remaining, 208.703125 MB of memory in use. ENERGY: 1208800 768.5141 2093.7646 1937.0578 122.2904 -206405.3230 17766.9227 0.0000 0.0000 34314.2607 -149402.5128 299.6750 -183716.7735 -149313.6705 298.8573 -114.9085 -84.3182 556651.4971 -2.7844 -2.7241 PRESSURE: 1209000 -90.0535 341.691 24.8189 341.691 -348.871 -45.26 24.8182 -45.2606 -487.824 GPRESSURE: 1209000 -32.2891 421.454 29.6663 161.205 -308.02 -29.6497 33.3139 9.72223 -482.476 PRESSAVG: 1209000 53.8222 39.5963 50.0974 39.5963 63.8739 13.4496 50.0975 13.4497 -100.455 GPRESSAVG: 1209000 53.4398 40.5314 50.3439 39.518 62.6996 13.6348 51.3869 13.8252 -99.1352 TIMING: 1209000 CPU: 3603.66, 0.00301725/step Wall: 3603.66, 0.00301725/step, 3.17734 hours remaining, 208.703125 MB of memory in use. ENERGY: 1209000 778.1986 2014.9452 1923.0371 109.8649 -205839.4609 17362.0298 0.0000 0.0000 34253.6911 -149397.6942 299.1460 -183651.3852 -149298.8239 299.5900 -308.9162 -274.2616 558524.2916 5.7471 5.6680 PRESSURE: 1209200 146.586 29.4351 22.5022 29.4342 2.24816 -13.0412 22.5038 -13.0396 147.394 GPRESSURE: 1209200 231.453 -37.8754 -96.8952 47.6715 59.8154 -19.4751 52.7044 -95.3407 108.86 PRESSAVG: 1209200 9.3491 26.3086 -0.500132 26.3086 18.4115 -71.591 -0.500112 -71.5909 -2.13441 GPRESSAVG: 1209200 7.46652 22.9863 -1.04446 28.8574 19.4386 -70.7963 1.5642 -72.6935 -1.12424 TIMING: 1209200 CPU: 3604.26, 0.00299425/step Wall: 3604.26, 0.00299425/step, 3.15295 hours remaining, 208.703125 MB of memory in use. ENERGY: 1209200 735.4493 2094.7333 1907.3082 109.1575 -206746.2542 18035.4058 0.0000 0.0000 34327.5467 -149536.6534 299.7910 -183864.2002 -149442.1307 299.7387 98.7429 133.3761 558057.6468 8.5421 8.5936 PRESSURE: 1209400 17.9151 -176.477 -48.1035 -176.477 111.89 7.77424 -48.1033 7.77281 13.1464 GPRESSURE: 1209400 33.5799 -120.824 -117.773 -184.236 137.562 -5.89156 -11.7441 15.1939 53.8942 PRESSAVG: 1209400 88.3184 -49.8072 -47.5084 -49.8071 -74.1558 -48.8544 -47.5083 -48.8545 -36.6143 GPRESSAVG: 1209400 88.6968 -47.3918 -47.3183 -51.8741 -75.1921 -49.1954 -50.8161 -49.3228 -36.798 TIMING: 1209400 CPU: 3604.86, 0.00303642/step Wall: 3604.86, 0.00303642/step, 3.19718 hours remaining, 208.703125 MB of memory in use. ENERGY: 1209400 758.6157 2096.0202 1908.3237 116.9263 -206568.7208 18020.0648 0.0000 0.0000 34098.9627 -149569.8074 297.7947 -183668.7701 -149477.1746 298.6724 47.6505 75.0119 558207.5483 -7.4839 -7.7645 PRESSURE: 1209600 -55.5274 -111.212 61.279 -111.212 98.5425 104.67 61.2792 104.67 -62.6892 GPRESSURE: 1209600 6.13186 -56.1109 118.041 -184.341 134.949 43.5049 68.9006 105.217 -65.9694 PRESSAVG: 1209600 4.59875 -78.7695 -32.5956 -78.7694 -0.304425 11.6479 -32.5955 11.6479 -15.8559 GPRESSAVG: 1209600 5.46762 -80.6462 -31.0631 -78.5722 -0.549757 10.5619 -32.4351 12.298 -16.2315 TIMING: 1209600 CPU: 3605.46, 0.00297277/step Wall: 3605.46, 0.00297277/step, 3.13 hours remaining, 208.703125 MB of memory in use. ENERGY: 1209600 736.3955 2130.0350 1902.5584 106.0034 -206351.3382 17807.1965 0.0000 0.0000 34158.2507 -149510.8987 298.3125 -183669.1494 -149405.2761 298.6274 -6.5580 25.0370 557867.0117 -3.8539 -3.7712 PRESSURE: 1209800 45.4739 3.54953 -12.7079 3.55025 -171.532 -2.80235 -12.7068 -2.80338 -64.8462 GPRESSURE: 1209800 38.4116 19.6914 -44.2546 4.46177 -93.3485 19.3121 4.17577 0.781888 -21.6946 PRESSAVG: 1209800 -39.4007 5.12957 -44.8677 5.12955 32.4404 12.1645 -44.8676 12.1644 15.5207 GPRESSAVG: 1209800 -39.1938 7.59772 -45.8995 3.50931 32.5433 13.4969 -46.0343 12.3366 14.9112 TIMING: 1209800 CPU: 3606.06, 0.00299685/step Wall: 3606.06, 0.00299685/step, 3.15518 hours remaining, 208.703125 MB of memory in use. ENERGY: 1209800 756.2095 2064.4384 1874.5325 109.5698 -206270.4100 17701.1177 0.0000 0.0000 34372.2920 -149392.2502 300.1818 -183764.5421 -149294.9495 298.5071 -63.6349 -25.5439 557537.2760 2.8535 2.7536 PRESSURE: 1210000 182.49 20.0495 -123.794 20.0493 -29.1461 72.744 -123.795 72.746 -105.811 GPRESSURE: 1210000 190.081 33.5602 -125.418 6.86068 34.6978 63.1043 -176.982 84.5125 -64.0189 PRESSAVG: 1210000 20.4585 -5.60008 -10.8096 -5.60011 -4.48144 2.22744 -10.8095 2.2274 13.7367 GPRESSAVG: 1210000 19.138 -7.85844 -12.174 -3.36145 -3.20726 2.53644 -9.3255 1.49256 14.2223 TIMING: 1210000 CPU: 3606.65, 0.00295867/step Wall: 3606.65, 0.00295867/step, 3.11482 hours remaining, 208.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1210000 723.4403 2085.0609 1894.4295 108.8100 -206632.3850 18027.7853 0.0000 0.0000 34428.5105 -149364.3486 300.6727 -183792.8591 -149274.6225 299.0754 15.8443 53.5867 558072.0713 9.9046 10.0510 PRESSURE: 1210200 -15.9225 17.6964 -1.04974 17.6959 -186.354 101.458 -1.04861 101.456 127.26 GPRESSURE: 1210200 40.6066 44.1347 -0.61394 20.0406 -178.031 114.725 28.5304 87.0411 163.936 PRESSAVG: 1210200 -6.42771 -42.0739 -24.7989 -42.0738 -13.4245 44.4647 -24.7988 44.4645 4.38002 GPRESSAVG: 1210200 -5.23749 -41.9803 -24.9164 -42.8047 -15.3818 44.2078 -24.4248 40.8747 5.39647 TIMING: 1210200 CPU: 3607.24, 0.00295122/step Wall: 3607.24, 0.00295122/step, 3.10681 hours remaining, 208.703125 MB of memory in use. ENERGY: 1210200 767.5188 2091.2055 1912.0793 115.4526 -206260.0093 17818.6127 0.0000 0.0000 34200.1682 -149354.9722 298.6786 -183555.1404 -149261.6648 299.1565 -25.0057 8.8372 558125.3521 -5.1574 -5.0743 PRESSURE: 1210400 -31.4236 -69.5975 -51.9467 -69.5973 -157.796 -47.7405 -51.9454 -47.7393 -224.321 GPRESSURE: 1210400 6.98258 -86.2383 -66.3668 -18.6722 -97.7416 -10.2245 -90.379 -3.97238 -231.124 PRESSAVG: 1210400 -9.68446 -18.0896 1.37555 -18.0896 -13.6951 28.0755 1.37556 28.0755 -1.21887 GPRESSAVG: 1210400 -10.1867 -18.6314 2.56973 -17.8237 -12.237 26.7616 -0.1683 31.6767 -2.75567 TIMING: 1210400 CPU: 3607.83, 0.00296095/step Wall: 3607.83, 0.00296095/step, 3.11689 hours remaining, 208.703125 MB of memory in use. ENERGY: 1210400 749.5274 1998.0565 1934.4537 109.0606 -206032.7665 17586.4997 0.0000 0.0000 34245.9643 -149409.2044 299.0785 -183655.1687 -149315.7804 298.9054 -137.8472 -107.2943 557718.0474 -8.1995 -8.3931 PRESSURE: 1210600 -261.627 30.4083 74.9869 30.4083 294.191 -107.464 74.9869 -107.465 -167.779 GPRESSURE: 1210600 -190.165 6.86077 52.6017 88.6134 301.246 -55.9481 107.446 -84.0756 -145.275 PRESSAVG: 1210600 -16.1207 34.227 -51.4382 34.227 7.1123 11.9899 -51.4381 11.9899 62.1388 GPRESSAVG: 1210600 -15.3938 35.0807 -51.8521 34.2591 6.5764 11.367 -49.7126 12.6538 62.2076 TIMING: 1210600 CPU: 3608.42, 0.00295834/step Wall: 3608.42, 0.00295834/step, 3.11398 hours remaining, 208.703125 MB of memory in use. ENERGY: 1210600 754.8077 2022.0991 1912.7977 104.5763 -206132.8678 17673.2711 0.0000 0.0000 34309.9927 -149355.3231 299.6377 -183665.3159 -149256.1775 299.0872 -45.0714 -11.3981 557492.4257 17.7101 17.7967 PRESSURE: 1210800 -12.7396 18.7682 74.9123 18.7682 -202.305 -275.946 74.9124 -275.946 -94.5842 GPRESSURE: 1210800 -5.51032 -36.5746 80.7261 31.5742 -158.071 -199.38 64.2564 -340.374 -49.9639 PRESSAVG: 1210800 -49.6693 16.0367 -4.55742 16.0367 39.5374 -51.0719 -4.55743 -51.0719 30.2282 GPRESSAVG: 1210800 -50.648 14.9133 -3.18163 17.2251 40.7971 -49.1364 -8.49915 -52.752 30.4645 TIMING: 1210800 CPU: 3609.02, 0.0029878/step Wall: 3609.02, 0.0029878/step, 3.14482 hours remaining, 208.703125 MB of memory in use. ENERGY: 1210800 787.4472 2049.8626 1874.8534 104.2217 -206327.6598 17793.0258 0.0000 0.0000 34154.6529 -149563.5962 298.2811 -183718.2491 -149472.5457 298.0705 -103.2094 -71.1817 557368.0903 6.6988 6.8712 PRESSURE: 1211000 -41.1471 21.1085 -45.951 21.1092 -281.481 -10.116 -45.9507 -10.1166 47.3232 GPRESSURE: 1211000 34.1957 -15.2158 46.0977 -25.0981 -246.825 -48.6508 -81.151 -25.9279 37.8433 PRESSAVG: 1211000 -19.3766 -8.86528 -61.5828 -8.86531 -29.4181 15.0511 -61.5829 15.0511 17.1713 GPRESSAVG: 1211000 -18.8471 -8.35551 -61.7751 -9.49231 -30.9924 14.4239 -60.0042 15.6148 17.9933 TIMING: 1211000 CPU: 3609.62, 0.00299398/step Wall: 3609.62, 0.00299398/step, 3.15116 hours remaining, 208.703125 MB of memory in use. ENERGY: 1211000 754.5419 2042.8876 1923.6181 116.8863 -206488.6105 17844.2039 0.0000 0.0000 34127.1835 -149679.2891 298.0412 -183806.4726 -149585.1149 298.3820 -91.7682 -58.2621 556984.2940 -10.5411 -10.6154 PRESSURE: 1211200 -92.4657 18.3165 27.4096 18.3169 -221.659 -93.547 27.4104 -93.545 -170.051 GPRESSURE: 1211200 -30.1414 15.7458 -4.90047 30.9663 -200.414 -52.7473 15.4378 -91.2461 -147.295 PRESSAVG: 1211200 -5.17657 16.7681 1.52606 16.7681 16.1039 26.977 1.52602 26.977 16.0301 GPRESSAVG: 1211200 -4.81879 18.7134 1.79342 14.83 16.7857 26.6579 1.46183 29.1009 15.3093 TIMING: 1211200 CPU: 3610.22, 0.00299379/step Wall: 3610.22, 0.00299379/step, 3.15079 hours remaining, 208.703125 MB of memory in use. ENERGY: 1211200 767.2707 2026.4754 1905.8566 119.2450 -206442.5862 17797.4425 0.0000 0.0000 34023.8449 -149802.4512 297.1387 -183826.2961 -149710.3350 298.1054 -161.3919 -125.9499 557237.3882 8.9858 9.0921 PRESSURE: 1211400 367.772 70.8452 19.5676 70.8456 138.591 -100.206 19.5676 -100.206 -73.4992 GPRESSURE: 1211400 422.246 145.982 16.5495 29.2222 99.1126 8.30675 -118.805 -139.989 12.8317 PRESSAVG: 1211400 51.5205 30.3218 -13.33 30.3218 10.6934 -20.1959 -13.33 -20.1959 -86.0693 GPRESSAVG: 1211400 52.4077 27.8159 -14.2602 32.6993 9.67049 -19.3366 -11.9352 -22.8685 -85.3663 TIMING: 1211400 CPU: 3610.82, 0.00298724/step Wall: 3610.82, 0.00298724/step, 3.14374 hours remaining, 208.703125 MB of memory in use. ENERGY: 1211400 736.4847 2094.4609 1914.6055 122.7455 -207152.0631 18140.3185 0.0000 0.0000 34309.0341 -149834.4138 299.6293 -184143.4479 -149735.8599 297.3531 144.2880 178.0633 555886.9579 -7.9518 -7.7627 PRESSURE: 1211600 119.32 73.3337 -45.0137 73.3328 85.0278 13.4252 -45.015 13.4228 -298.804 GPRESSURE: 1211600 116.459 -10.7654 -47.6691 172.192 107.815 61.1868 -39.9933 -37.9147 -217.078 PRESSAVG: 1211600 29.9445 -24.6983 3.79879 -24.6982 -38.0444 -8.76467 3.7988 -8.76454 -17.6801 GPRESSAVG: 1211600 29.0938 -21.9837 3.92233 -26.3875 -37.5812 -7.84 3.61106 -9.85572 -17.383 TIMING: 1211600 CPU: 3611.42, 0.00299389/step Wall: 3611.42, 0.00299389/step, 3.15057 hours remaining, 208.703125 MB of memory in use. ENERGY: 1211600 745.2835 2111.5873 1933.7285 115.5224 -206943.6291 18034.2356 0.0000 0.0000 34232.0397 -149771.2321 298.9569 -184003.2718 -149678.1973 297.8598 -31.4854 2.3984 557136.8720 -8.5933 -8.6235 PRESSURE: 1211800 -136.063 215.193 129.409 215.193 -99.5719 13.1182 129.41 13.1171 -8.22737 GPRESSURE: 1211800 -119.963 199.292 164.431 200.26 -78.744 44.6657 129.349 27.6316 49.3092 PRESSAVG: 1211800 -33.3866 46.465 -38.0654 46.465 45.6776 -24.1648 -38.0654 -24.1649 -9.23742 GPRESSAVG: 1211800 -32.4229 45.3123 -38.4402 48.0377 45.6245 -26.0131 -39.7083 -22.8692 -9.5808 TIMING: 1211800 CPU: 3612.01, 0.00297825/step Wall: 3612.01, 0.00297825/step, 3.13394 hours remaining, 208.703125 MB of memory in use. ENERGY: 1211800 755.8493 2091.4388 1936.4102 112.7508 -206613.2209 17847.4447 0.0000 0.0000 34150.6664 -149718.6606 298.2463 -183869.3270 -149623.1297 297.6115 -81.2875 -49.7993 557708.9984 1.0179 1.2070 PRESSURE: 1212000 -186.321 -71.7532 -62.2717 -71.7532 4.82241 -28.3137 -62.273 -28.3143 144.087 GPRESSURE: 1212000 -108.413 -122.076 -18.9652 -11.9867 37.9597 -24.5057 0.0289507 43.9295 140.787 PRESSAVG: 1212000 -31.2435 5.12192 -63.775 5.1219 3.80367 37.1732 -63.7751 37.1731 4.57419 GPRESSAVG: 1212000 -31.4901 4.32356 -63.4207 4.62604 3.84396 37.6916 -63.226 37.6048 4.60858 TIMING: 1212000 CPU: 3612.61, 0.00297448/step Wall: 3612.61, 0.00297448/step, 3.12981 hours remaining, 208.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1212000 723.5941 2042.9572 1928.3772 109.6169 -206820.0550 18020.4555 0.0000 0.0000 34119.9415 -149875.1125 297.9779 -183995.0541 -149777.0989 297.7878 -12.4704 23.4443 557052.1738 -7.6219 -7.6792 PRESSURE: 1212200 148.596 -39.8055 185.891 -39.8056 -595.173 22.0104 185.892 22.01 -179.24 GPRESSURE: 1212200 144.564 -40.9375 151.537 9.42655 -560.588 -0.515712 195.522 -12.1296 -118.501 PRESSAVG: 1212200 14.0333 56.3119 -0.191532 56.3118 -31.1421 -10.6144 -0.191523 -10.6143 37.2762 GPRESSAVG: 1212200 13.2038 57.3492 0.898246 54.7911 -31.2968 -9.23367 -0.358581 -11.9877 37.3011 TIMING: 1212200 CPU: 3613.21, 0.00299745/step Wall: 3613.21, 0.00299745/step, 3.15381 hours remaining, 208.703125 MB of memory in use. ENERGY: 1212200 755.6315 2110.4952 1933.1637 106.2632 -205990.3786 17385.3344 0.0000 0.0000 34097.9504 -149601.5400 297.7859 -183699.4904 -149513.0333 298.0264 -208.6059 -178.1749 556695.9403 6.7224 6.4027 LDB: ============= START OF LOAD BALANCING ============== 3616.75 LDB: ============== END OF LOAD BALANCING =============== 3616.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3616.75 LDB: ============= START OF LOAD BALANCING ============== 3617.05 LDB: Largest compute 4796 load 0.026306 is 22.2% of average load 0.118287 LDB: Average compute 0.001721 is 1.5% of average load 0.118287 LDB: TIME 3617.05 LOAD: AVG 0.118287 MAX 0.207595 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.793 MB LDB: TIME 3617.05 LOAD: AVG 0.118287 MAX 0.207595 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.793 MB LDB: TIME 3617.05 LOAD: AVG 0.118287 MAX 0.207595 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.793 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3617.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3617.06 PRESSURE: 1212400 43.0235 15.3759 108.537 15.3767 108.968 42.6719 108.537 42.6732 -33.1574 GPRESSURE: 1212400 78.2015 -52.9884 115.805 47.3025 96.562 110.583 25.7893 -20.3485 33.8077 PRESSAVG: 1212400 -16.0333 0.689721 -21.8764 0.689764 63.9276 0.335328 -21.8764 0.33535 -36.973 GPRESSAVG: 1212400 -16.1926 0.761484 -24.4477 1.76333 64.3882 -2.4728 -21.7415 0.235944 -37.5256 TIMING: 1212400 CPU: 3613.81, 0.0030099/step Wall: 3613.81, 0.0030099/step, 3.16675 hours remaining, 207.214844 MB of memory in use. ENERGY: 1212400 792.9500 2111.1124 1892.1492 104.1417 -206533.3066 17935.6315 0.0000 0.0000 34162.9653 -149534.3565 298.3537 -183697.3217 -149436.3878 298.5830 39.6114 69.5238 556924.9370 3.6404 3.5567 PRESSURE: 1212600 125.547 -28.9037 20.3098 -28.9027 55.8643 108.686 20.3098 108.687 112.123 GPRESSURE: 1212600 150.387 -26.6292 22.2476 -76.0367 55.8934 35.9656 76.0841 172.485 172.464 PRESSAVG: 1212600 -32.6773 -33.0435 -7.80028 -33.0435 97.7964 26.5716 -7.80031 26.5716 -5.86953 GPRESSAVG: 1212600 -32.8918 -31.8603 -6.83073 -33.0653 97.1121 27.7767 -7.19032 27.5863 -5.13597 TIMING: 1212600 CPU: 3614.4, 0.00297232/step Wall: 3614.4, 0.00297232/step, 3.12705 hours remaining, 207.414062 MB of memory in use. ENERGY: 1212600 717.8507 2080.1216 1959.5257 109.2506 -206699.0156 18014.0249 0.0000 0.0000 34418.0788 -149400.1634 300.5816 -183818.2422 -149308.4204 298.9449 97.8447 126.2482 556070.4790 19.7499 19.6948 PRESSURE: 1212800 163.452 -173.204 54.3492 -173.205 -285.127 -212.462 54.3502 -212.463 142.261 GPRESSURE: 1212800 172.633 -107.583 -18.4278 -206.141 -229.468 -199.874 126.338 -168.89 177.248 PRESSAVG: 1212800 -0.749409 8.73436 -44.3324 8.73433 -67.423 -65.6029 -44.3324 -65.6029 71.232 GPRESSAVG: 1212800 0.348023 6.24963 -44.1723 6.59935 -67.6 -66.0171 -44.978 -64.3313 69.8517 TIMING: 1212800 CPU: 3615, 0.00296425/step Wall: 3615, 0.00296425/step, 3.11839 hours remaining, 207.414062 MB of memory in use. ENERGY: 1212800 705.0877 2109.3527 1962.2538 104.7437 -206190.9592 17722.2017 0.0000 0.0000 34202.0965 -149385.2230 298.6954 -183587.3196 -149291.9118 299.2546 6.8623 40.1375 556211.3430 1.0199 0.8666 PRESSURE: 1213000 -92.562 61.1701 -39.7927 61.17 -278.441 -93.3884 -39.7935 -93.3883 -92.734 GPRESSURE: 1213000 4.4764 63.6733 15.1906 -54.2737 -251.13 -151.682 -24.3504 29.5726 -115.437 PRESSAVG: 1213000 46.5105 -27.1744 -2.48713 -27.1743 -87.7093 -41.5007 -2.48699 -41.5007 53.873 GPRESSAVG: 1213000 44.953 -26.639 -2.37688 -26.2586 -87.0766 -42.7968 -2.96142 -41.2668 55.1021 TIMING: 1213000 CPU: 3615.59, 0.00299387/step Wall: 3615.59, 0.00299387/step, 3.14939 hours remaining, 207.414062 MB of memory in use. ENERGY: 1213000 741.9390 2057.8337 1960.9441 116.4636 -206346.2787 17696.2118 0.0000 0.0000 34398.2556 -149374.6309 300.4085 -183772.8866 -149277.7089 299.5419 -154.5789 -120.6970 557143.0696 4.2247 4.3262 PRESSURE: 1213200 78.7799 -87.1726 14.0791 -87.1727 -62.504 56.0343 14.0795 56.0341 31.2889 GPRESSURE: 1213200 133.755 -125.389 7.24423 1.80009 -10.9708 10.595 -44.5118 28.6876 30.5335 PRESSAVG: 1213200 46.2104 33.8181 -39.7026 33.8181 -49.2658 -17.9081 -39.7026 -17.9081 11.8768 GPRESSAVG: 1213200 46.5189 32.8268 -40.4042 35.1564 -49.0047 -15.7182 -39.4633 -19.4339 11.6494 TIMING: 1213200 CPU: 3616.19, 0.00298151/step Wall: 3616.19, 0.00298151/step, 3.13622 hours remaining, 207.605469 MB of memory in use. ENERGY: 1213200 711.9018 2065.4184 1956.5078 112.3615 -206413.3674 17736.2518 0.0000 0.0000 34252.0632 -149578.8630 299.1318 -183830.9262 -149484.3707 299.1427 15.8550 51.1059 556657.6067 2.9405 3.0545 PRESSURE: 1213400 270.579 -90.7681 15.4234 -90.7672 -97.651 -67.1847 15.4244 -67.1836 -161.662 GPRESSURE: 1213400 253.852 -128.893 55.5954 -20.6949 -41.0479 -134.72 -9.38646 63.58 -108.84 PRESSAVG: 1213400 -29.6478 -13.4969 42.4044 -13.4969 8.29004 60.4413 42.4044 60.4414 -0.853354 GPRESSAVG: 1213400 -29.9709 -11.3752 43.6289 -14.8306 7.7085 58.4597 41.8922 62.1863 0.247306 TIMING: 1213400 CPU: 3616.79, 0.00298006/step Wall: 3616.79, 0.00298006/step, 3.13453 hours remaining, 207.605469 MB of memory in use. ENERGY: 1213400 739.7919 2060.4321 1943.0744 111.0010 -206733.0460 17988.2872 0.0000 0.0000 34232.9172 -149657.5423 298.9646 -183890.4595 -149567.8655 298.2152 3.7554 34.6550 554995.6723 -7.4037 -7.3384 PRESSURE: 1213600 45.566 -9.62624 69.946 -9.62538 35.6239 -115.237 69.9463 -115.237 -1.03403 GPRESSURE: 1213600 33.9757 -9.9608 81.9726 40.9745 53.8733 -127.663 158.217 -44.8594 105.116 PRESSAVG: 1213600 -33.1385 -14.2151 17.2177 -14.2151 23.5701 16.5556 17.2177 16.5557 28.2934 GPRESSAVG: 1213600 -32.8574 -14.5355 18.0513 -14.4544 24.6704 17.6847 15.563 16.2089 27.1771 TIMING: 1213600 CPU: 3617.38, 0.0029911/step Wall: 3617.38, 0.0029911/step, 3.14597 hours remaining, 207.605469 MB of memory in use. ENERGY: 1213600 701.4751 2072.7542 1956.7430 115.1955 -206450.1676 17821.5543 0.0000 0.0000 34194.5921 -149587.8533 298.6299 -183782.4454 -149490.7261 298.4673 26.7186 64.3216 555653.6515 6.2417 6.3300 PRESSURE: 1213800 349.335 45.6388 -113.512 45.6396 235.312 142.708 -113.513 142.709 169.55 GPRESSURE: 1213800 330.214 58.6841 -31.8836 20.7504 272.818 140.76 -138.162 71.2239 243.156 PRESSAVG: 1213800 70.6335 -21.2923 38.671 -21.2922 -92.2395 -31.237 38.671 -31.2369 14.0106 GPRESSAVG: 1213800 69.925 -21.4086 38.6803 -19.9357 -91.9359 -31.9543 40.6451 -32.9799 14.5105 TIMING: 1213800 CPU: 3617.98, 0.00297007/step Wall: 3617.98, 0.00297007/step, 3.12368 hours remaining, 207.605469 MB of memory in use. ENERGY: 1213800 723.0343 2093.0502 1924.4708 115.8767 -207013.3946 18279.7694 0.0000 0.0000 34186.1000 -149691.0933 298.5557 -183877.1933 -149596.8116 298.5520 251.3990 282.0629 555253.7353 -2.5318 -2.5002 PRESSURE: 1214000 36.6107 -6.94022 -63.9657 -6.94035 -7.97415 -37.6431 -63.9658 -37.6419 86.4396 GPRESSURE: 1214000 30.8878 -131.337 -69.8782 31.0311 6.98875 -4.81003 26.3874 -58.8059 171.62 PRESSAVG: 1214000 15.3441 -52.0442 -24.8937 -52.0443 35.5532 -33.9397 -24.8936 -33.9397 3.48394 GPRESSAVG: 1214000 15.9558 -52.9378 -24.7798 -52.0725 34.3153 -33.8659 -24.6459 -33.4545 3.8772 TIMING: 1214000 CPU: 3618.57, 0.00297698/step Wall: 3618.57, 0.00297698/step, 3.13079 hours remaining, 207.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1214000 729.9962 2031.5195 1955.8261 107.4622 -206318.9478 17841.6114 0.0000 0.0000 34157.5805 -149494.9520 298.3066 -183652.5325 -149389.5080 298.7601 38.3587 69.8323 555789.8161 18.1271 18.0494 PRESSURE: 1214200 -130.313 35.7527 -116.2 35.7526 -215.323 -53.5304 -116.2 -53.529 -107.833 GPRESSURE: 1214200 -147.377 27.6334 -108.897 53.7266 -143.749 -69.3618 -107.29 7.45043 -64.0381 PRESSAVG: 1214200 14.4686 33.9847 14.8689 33.9847 22.0461 -29.604 14.8688 -29.604 13.0929 GPRESSAVG: 1214200 14.7852 36.3574 13.599 32.9264 22.8149 -29.2433 14.039 -29.1117 12.2001 TIMING: 1214200 CPU: 3619.17, 0.00297745/step Wall: 3619.17, 0.00297745/step, 3.13111 hours remaining, 207.605469 MB of memory in use. ENERGY: 1214200 722.4989 2060.3567 1947.9872 119.1559 -206177.1360 17598.8516 0.0000 0.0000 34078.3365 -149649.9492 297.6146 -183728.2857 -149554.6429 298.2684 -151.1562 -118.3882 556635.9689 16.5358 16.6001 PRESSURE: 1214400 -200.808 -140.451 -32.3078 -140.452 -130.681 -130.596 -32.3066 -130.596 -10.3449 GPRESSURE: 1214400 -139.589 -170.186 -80.7541 -143.183 -86.3972 -164.942 -21.5368 -90.1631 -17.4265 PRESSAVG: 1214400 20.7759 -33.4268 3.37804 -33.4268 -30.8118 22.429 3.37797 22.429 26.2744 GPRESSAVG: 1214400 20.3787 -35.4888 2.8139 -31.5158 -31.6181 23.3626 4.41935 20.2995 27.3969 TIMING: 1214400 CPU: 3619.76, 0.00295837/step Wall: 3619.76, 0.00295837/step, 3.11089 hours remaining, 207.605469 MB of memory in use. ENERGY: 1214400 739.8909 2095.7481 1936.4537 115.1862 -206541.1007 17744.7438 0.0000 0.0000 34277.6816 -149631.3966 299.3555 -183909.0781 -149532.2533 298.2823 -113.9445 -81.1376 556154.3330 5.4128 5.3858 PRESSURE: 1214600 16.7793 -125.211 -17.633 -125.213 -133.336 -119.695 -17.6327 -119.694 -176.218 GPRESSURE: 1214600 88.3645 -268.258 -20.2738 -77.5721 -85.0699 -126.17 36.7434 -117.581 -203.15 PRESSAVG: 1214600 -38.1052 -39.0909 17.1566 -39.0909 2.6059 -3.05607 17.1566 -3.05615 25.8871 GPRESSAVG: 1214600 -38.7749 -38.7626 18.2985 -40.1055 4.10488 -4.99029 14.2868 -0.484621 25.2551 TIMING: 1214600 CPU: 3620.36, 0.00299026/step Wall: 3620.36, 0.00299026/step, 3.14426 hours remaining, 207.605469 MB of memory in use. ENERGY: 1214600 753.1972 2002.0313 1905.0099 119.0090 -206581.1376 17765.0376 0.0000 0.0000 34074.8252 -149962.0275 297.5839 -184036.8527 -149859.6660 297.9434 -97.5914 -66.6184 556226.4589 -3.2040 -3.1383 PRESSURE: 1214800 113.584 -83.3028 -122.171 -83.3027 -126.444 -35.192 -122.17 -35.1913 22.6228 GPRESSURE: 1214800 91.366 -152.244 -76.9383 -143.298 -100.983 61.7632 -86.5703 -125.766 121.122 PRESSAVG: 1214800 53.4092 -14.5085 -21.2436 -14.5085 -82.033 28.6623 -21.2437 28.6622 31.596 GPRESSAVG: 1214800 54.5342 -14.3733 -21.0906 -14.0609 -82.5461 31.9435 -20.1466 25.1715 30.9448 TIMING: 1214800 CPU: 3620.95, 0.00294911/step Wall: 3620.95, 0.00294911/step, 3.10083 hours remaining, 207.605469 MB of memory in use. ENERGY: 1214800 724.5414 2017.5708 1934.6587 118.1130 -206910.4979 18070.2027 0.0000 0.0000 34102.1454 -149943.2659 297.8225 -184045.4113 -149849.2884 297.9790 3.2543 37.1681 556237.8309 0.9907 0.9776 PRESSURE: 1215000 58.9271 -33.9458 52.7467 -33.9462 -11.7295 76.4325 52.7459 76.4324 -217.666 GPRESSURE: 1215000 37.2182 -77.9128 32.9335 -7.99211 52.2336 30.0377 99.6069 84.355 -153.765 PRESSAVG: 1215000 52.206 -47.0603 -58.0579 -47.0602 8.98292 13.453 -58.0579 13.4528 -21.8244 GPRESSAVG: 1215000 51.9503 -45.4301 -58.0632 -48.3088 9.11878 11.1537 -56.8513 16.6188 -21.8522 TIMING: 1215000 CPU: 3621.54, 0.00295266/step Wall: 3621.54, 0.00295266/step, 3.10439 hours remaining, 207.605469 MB of memory in use. ENERGY: 1215000 735.6289 2083.5918 1919.7258 100.3554 -206414.5442 17742.9300 0.0000 0.0000 34005.9685 -149826.3438 296.9826 -183832.3123 -149722.9299 297.1496 -56.8227 -21.4379 556038.5355 13.1215 13.0723 PRESSURE: 1215200 120.098 0.336185 -16.6058 0.337576 -266.292 7.10729 -16.6086 7.10721 -312.913 GPRESSURE: 1215200 170.782 46.4899 -41.2658 20.1955 -286.784 -68.226 -23.3066 88.7567 -241.319 PRESSAVG: 1215200 47.7604 -55.604 -93.5287 -55.6039 -39.3496 -9.45721 -93.5287 -9.45716 11.7965 GPRESSAVG: 1215200 46.6484 -55.4844 -94.1865 -54.4177 -38.9657 -9.80819 -94.2758 -9.20559 12.9419 TIMING: 1215200 CPU: 3622.13, 0.00295919/step Wall: 3622.13, 0.00295919/step, 3.11109 hours remaining, 207.605469 MB of memory in use. ENERGY: 1215200 789.0868 2050.4371 1936.3801 108.7251 -206429.6234 17812.6248 0.0000 0.0000 33887.1077 -149845.2620 295.9445 -183732.3697 -149751.0887 297.6051 -153.0357 -119.1071 555677.5935 6.7358 6.8749 PRESSURE: 1215400 99.4442 -4.79902 -129.291 -4.79839 -6.02913 -75.1068 -129.29 -75.108 -61.9964 GPRESSURE: 1215400 52.6824 -36.0177 -166.816 76.0115 57.9087 -134.757 -104.448 -55.4015 25.252 PRESSAVG: 1215400 3.17825 19.6473 -14.5755 19.6473 64.2632 -28.9634 -14.5755 -28.9635 -44.5304 GPRESSAVG: 1215400 4.50226 18.0532 -12.6067 21.2525 63.763 -29.9009 -13.7568 -28.3088 -45.1276 TIMING: 1215400 CPU: 3622.72, 0.00295893/step Wall: 3622.72, 0.00295893/step, 3.11066 hours remaining, 207.605469 MB of memory in use. ENERGY: 1215400 736.7719 2097.7296 1939.4622 113.1356 -206498.1586 17827.6627 0.0000 0.0000 34007.2182 -149776.1784 296.9935 -183783.3966 -149689.8831 298.4125 10.4729 45.2810 555184.4465 7.6370 7.7126 PRESSURE: 1215600 -161.396 29.5219 -65.2783 29.5221 -32.908 -20.64 -65.278 -20.6405 -162.29 GPRESSURE: 1215600 -129.278 -2.12101 -71.0371 45.9893 -13.5351 -34.3619 -36.4753 -15.6353 -121.739 PRESSAVG: 1215600 -55.5992 31.3014 23.9691 31.3013 47.9001 32.6811 23.9689 32.6811 40.7422 GPRESSAVG: 1215600 -55.7882 30.2839 23.6823 32.7251 47.5666 35.2183 23.7541 31.6786 41.0198 TIMING: 1215600 CPU: 3623.32, 0.00298194/step Wall: 3623.32, 0.00298194/step, 3.13469 hours remaining, 207.605469 MB of memory in use. ENERGY: 1215600 738.0789 2058.1256 1922.0799 104.3439 -206124.4298 17447.5714 0.0000 0.0000 34136.6026 -149717.6276 298.1234 -183854.2302 -149622.0412 298.6099 -118.8644 -88.1837 556570.4742 11.0143 10.9327 PRESSURE: 1215800 -29.6539 15.0446 -116.604 15.0445 -268.023 -118.257 -116.605 -118.258 1.51588 GPRESSURE: 1215800 51.0401 43.2529 -95.1915 46.1593 -228.112 -80.1317 -133.626 -122.423 -22.7831 PRESSAVG: 1215800 23.0494 -13.1941 1.45633 -13.194 -8.38372 -19.6826 1.45635 -19.6827 -7.8246 GPRESSAVG: 1215800 20.9399 -11.3924 0.404484 -17.1426 -6.5438 -23.2467 0.808348 -18.686 -7.52135 TIMING: 1215800 CPU: 3623.92, 0.00300654/step Wall: 3623.92, 0.00300654/step, 3.16037 hours remaining, 207.605469 MB of memory in use. ENERGY: 1215800 712.2279 2009.1117 1951.3783 115.4949 -206558.3907 17823.0799 0.0000 0.0000 34266.7699 -149680.3281 299.2602 -183947.0980 -149584.4543 298.4416 -98.7203 -66.6183 557161.4159 2.2804 2.2916 PRESSURE: 1216000 -100.337 277.886 21.5095 277.886 -234.021 83.0663 21.5096 83.0667 -96.2385 GPRESSURE: 1216000 -65.0903 307.12 -59.1645 326.448 -217.908 -11.0279 106.173 202.867 -59.2524 PRESSAVG: 1216000 68.7277 4.97902 46.3983 4.97895 -66.3573 1.17947 46.3983 1.17937 -13.2565 GPRESSAVG: 1216000 70.3133 5.14505 45.0084 7.46444 -67.7152 3.87341 46.9967 0.602792 -12.9698 TIMING: 1216000 CPU: 3624.51, 0.00296968/step Wall: 3624.51, 0.00296968/step, 3.12146 hours remaining, 207.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1216000 756.9730 2047.6782 1927.5450 101.4591 -206704.8702 17741.2835 0.0000 0.0000 34357.1187 -149772.8126 300.0493 -184129.9313 -149675.6780 298.7664 -143.5323 -114.0837 556769.1654 -3.6287 -3.4572 PRESSURE: 1216200 -241.916 33.6666 30.0989 33.6661 -273.011 42.3157 30.0986 42.3156 38.4106 GPRESSURE: 1216200 -223.35 19.8494 74.5529 115.162 -247.041 90.8626 64.6868 47.7195 87.0932 PRESSAVG: 1216200 -5.72327 23.2635 37.1202 23.2635 -21.0496 -4.70587 37.1202 -4.70571 12.7283 GPRESSAVG: 1216200 -5.68599 22.2156 38.9392 21.3651 -20.5664 -4.85754 36.1075 -4.23791 11.9422 TIMING: 1216200 CPU: 3625.11, 0.00298683/step Wall: 3625.11, 0.00298683/step, 3.13932 hours remaining, 207.605469 MB of memory in use. ENERGY: 1216200 745.5056 2119.4539 1921.3774 105.8431 -206375.2699 17709.7530 0.0000 0.0000 34027.3481 -149745.9889 297.1693 -183773.3369 -149656.6862 298.5555 -158.8387 -127.7662 557499.8723 -4.6815 -4.7701 LDB: ============= START OF LOAD BALANCING ============== 3628.66 LDB: ============== END OF LOAD BALANCING =============== 3628.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3628.67 LDB: ============= START OF LOAD BALANCING ============== 3628.96 LDB: Largest compute 4773 load 0.026722 is 22.6% of average load 0.118271 LDB: Average compute 0.001717 is 1.5% of average load 0.118271 LDB: TIME 3628.97 LOAD: AVG 0.118271 MAX 0.212114 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 3628.97 LOAD: AVG 0.118271 MAX 0.212114 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: TIME 3628.97 LOAD: AVG 0.118271 MAX 0.212114 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: ============== END OF LOAD BALANCING =============== 3628.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3628.97 PRESSURE: 1216400 -159.859 72.6779 -27.0452 72.6774 45.6797 190.151 -27.0443 190.15 280.411 GPRESSURE: 1216400 -114.696 104.366 -57.2969 36.824 64.5308 164.923 -35.8267 108.962 304.704 PRESSAVG: 1216400 18.9859 -25.7169 17.7222 -25.7168 -32.9173 28.9482 17.7222 28.9481 14.5783 GPRESSAVG: 1216400 17.9423 -24.2482 16.7495 -27.5343 -33.0826 29.3331 19.0296 27.6941 15.1136 TIMING: 1216400 CPU: 3625.72, 0.00305573/step Wall: 3625.72, 0.00305573/step, 3.21157 hours remaining, 208.371094 MB of memory in use. ENERGY: 1216400 764.5483 1997.3342 1942.1592 118.2127 -206773.6685 18072.4580 0.0000 0.0000 34188.1312 -149690.8248 298.5735 -183878.9560 -149594.0993 298.2998 55.4105 84.8463 556459.5185 0.2156 -0.0089 PRESSURE: 1216600 -64.2116 -9.46773 232.249 -9.46749 -180.304 92.5135 232.249 92.5127 -76.2552 GPRESSURE: 1216600 -17.6628 -69.2228 258.191 22.0601 -117.547 95.8126 208.722 47.4547 -92.0473 PRESSAVG: 1216600 -43.6725 -6.28834 -12.9031 -6.28826 6.00826 -15.1274 -12.9031 -15.1274 20.9333 GPRESSAVG: 1216600 -43.688 -6.57477 -13.3634 -4.41617 6.09464 -15.677 -13.6004 -15.2908 21.0994 TIMING: 1216600 CPU: 3626.32, 0.00299952/step Wall: 3626.32, 0.00299952/step, 3.15232 hours remaining, 208.574219 MB of memory in use. ENERGY: 1216600 755.9626 2075.7162 1928.2861 111.4476 -206217.1490 17569.0798 0.0000 0.0000 34312.9811 -149463.6756 299.6638 -183776.6567 -149372.4442 298.8333 -106.9237 -75.7524 558098.9185 -5.5770 -5.4980 PRESSURE: 1216800 -275.158 -7.68109 -143.143 -7.67981 -85.5195 18.1001 -143.145 18.1011 -111.613 GPRESSURE: 1216800 -258.462 -7.75288 -73.956 -0.349906 -81.4795 -2.40162 -221.344 -70.1488 -47.8133 PRESSAVG: 1216800 6.69521 -15.9392 -28.9145 -15.9391 19.608 21.7109 -28.9147 21.711 -16.5274 GPRESSAVG: 1216800 6.1453 -17.3075 -26.3868 -15.6422 19.1894 22.1365 -30.3754 22.9528 -15.8671 TIMING: 1216800 CPU: 3626.92, 0.00298478/step Wall: 3626.92, 0.00298478/step, 3.13667 hours remaining, 208.574219 MB of memory in use. ENERGY: 1216800 774.1511 2043.0795 1916.2147 126.9454 -206106.2114 17605.8705 0.0000 0.0000 34034.5957 -149605.3545 297.2326 -183639.9502 -149509.9641 298.7968 -157.4300 -129.2515 558323.4137 3.2586 3.1559 PRESSURE: 1217000 -260.467 16.9638 -77.4076 16.9637 -398.062 13.4015 -77.4075 13.4013 -466.725 GPRESSURE: 1217000 -196.317 -95.1771 -85.3528 48.2344 -435.742 10.2073 -127.055 32.3869 -401.469 PRESSAVG: 1217000 -51.8121 -44.7964 -5.10586 -44.7964 35.5121 -40.2165 -5.10595 -40.2163 -18.6264 GPRESSAVG: 1217000 -51.1784 -44.9076 -4.70912 -44.0031 35.2688 -38.69 -5.34658 -40.7835 -19.3664 TIMING: 1217000 CPU: 3627.52, 0.00301146/step Wall: 3627.52, 0.00301146/step, 3.16454 hours remaining, 208.574219 MB of memory in use. ENERGY: 1217000 769.4774 2041.6490 1887.1164 120.9685 -205538.9085 17079.9549 0.0000 0.0000 34071.5538 -149568.1886 297.5554 -183639.7424 -149466.1414 298.1962 -375.0846 -344.5092 555803.3093 -11.6421 -11.7587 PRESSURE: 1217200 -242.886 -38.7023 44.7768 -38.7019 -76.1382 -104.331 44.7772 -104.331 -197.986 GPRESSURE: 1217200 -199.302 -62.1594 100.633 -80.193 -5.79502 -136.15 13.1406 -131.385 -225.425 PRESSAVG: 1217200 61.7493 16.5299 -44.9844 16.5299 -16.7997 23.761 -44.9845 23.7611 -2.28682 GPRESSAVG: 1217200 61.3379 17.304 -48.6567 16.1995 -16.5166 22.9106 -43.3528 23.6805 -2.05865 TIMING: 1217200 CPU: 3628.12, 0.00298534/step Wall: 3628.12, 0.00298534/step, 3.13693 hours remaining, 208.574219 MB of memory in use. ENERGY: 1217200 750.6949 2105.5116 1923.7052 105.4525 -205895.8951 17335.2209 0.0000 0.0000 34162.7997 -149512.5103 298.3522 -183675.3100 -149416.7720 298.6335 -172.3366 -143.5074 555768.6366 14.2209 14.2542 PRESSURE: 1217400 -150.998 -61.427 -236.55 -61.4269 143.579 86.7656 -236.549 86.7654 160.34 GPRESSURE: 1217400 -90.7903 -81.7161 -132.002 -10.2578 63.6539 110.154 -252.098 43.1477 275.334 PRESSAVG: 1217400 -32.1851 -25.9528 -41.1055 -25.9527 91.8929 -24.2461 -41.1055 -24.246 -100.819 GPRESSAVG: 1217400 -32.4274 -26.3958 -38.1401 -24.4377 91.5544 -24.4188 -42.9541 -23.8687 -100.771 TIMING: 1217400 CPU: 3628.72, 0.00298086/step Wall: 3628.72, 0.00298086/step, 3.13206 hours remaining, 208.574219 MB of memory in use. ENERGY: 1217400 733.8542 2090.0812 1915.8598 118.2047 -206351.4909 17882.0078 0.0000 0.0000 34105.9126 -149505.5705 297.8554 -183611.4831 -149407.8392 298.3355 50.9735 82.7326 556773.4242 -13.7038 -13.8813 PRESSURE: 1217600 109.497 59.277 2.08219 59.2766 106.43 -168.038 2.08094 -168.038 -216.826 GPRESSURE: 1217600 167.119 -8.61409 69.8263 83.6671 107.823 -179.081 -75.8004 -237.765 -166.801 PRESSAVG: 1217600 17.0955 -9.27889 15.4901 -9.27887 15.8279 -13.4239 15.4901 -13.4239 -34.5451 GPRESSAVG: 1217600 16.8537 -8.94368 16.8858 -10.9725 15.6775 -15.2161 14.7856 -14.8157 -34.0414 TIMING: 1217600 CPU: 3629.31, 0.00299074/step Wall: 3629.31, 0.00299074/step, 3.14227 hours remaining, 208.574219 MB of memory in use. ENERGY: 1217600 721.7328 2105.0364 1934.6036 104.8879 -206465.0978 17876.9456 0.0000 0.0000 34321.2459 -149400.6456 299.7360 -183721.8915 -149298.1774 298.3760 -0.2995 36.0469 556494.3529 -0.5406 -0.5034 PRESSURE: 1217800 -241.989 145.805 -144.283 145.804 -97.957 -2.99966 -144.283 -3.00001 -194.384 GPRESSURE: 1217800 -221.59 142.617 -156.191 234.017 -23.8351 94.7803 -174.412 -89.5236 -176.91 PRESSAVG: 1217800 -5.71074 20.1794 -52.5345 20.1793 42.9985 55.0284 -52.5346 55.0285 -29.605 GPRESSAVG: 1217800 -5.71406 20.9392 -54.6056 21.534 42.6515 55.3564 -51.3337 57.4322 -28.7328 TIMING: 1217800 CPU: 3629.91, 0.00295879/step Wall: 3629.91, 0.00295879/step, 3.10854 hours remaining, 208.574219 MB of memory in use. ENERGY: 1217800 718.7281 2009.2603 1921.8998 121.7589 -205907.4358 17498.9067 0.0000 0.0000 34108.6835 -149528.1984 297.8796 -183636.8819 -149425.4139 298.2610 -178.1102 -140.7785 556994.6911 2.5609 2.7349 PRESSURE: 1218000 -2.71964 4.223 -146.921 4.22316 32.885 50.6759 -146.921 50.6775 -308.132 GPRESSURE: 1218000 -23.316 116.634 -63.3801 -73.3839 70.428 43.2992 -155.573 -15.1282 -233.227 PRESSAVG: 1218000 27.2473 35.971 -34.4027 35.9711 -16.4981 -27.8734 -34.4027 -27.8734 -19.1042 GPRESSAVG: 1218000 26.6558 35.3744 -35.5093 34.9881 -13.8336 -25.6083 -34.6997 -30.385 -20.7646 TIMING: 1218000 CPU: 3630.5, 0.00297537/step Wall: 3630.5, 0.00297537/step, 3.12579 hours remaining, 208.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1218000 686.3493 2054.5421 1935.7661 108.4119 -205915.8084 17582.3511 0.0000 0.0000 34121.0147 -149427.3732 297.9873 -183548.3879 -149334.3969 298.2330 -92.6556 -62.0385 556357.2500 -2.7850 -2.6475 PRESSURE: 1218200 -115.556 62.7063 -3.55581 62.7053 -247.168 -6.53284 -3.55681 -6.53215 -151.204 GPRESSURE: 1218200 -99.2095 76.2814 -18.1602 152.487 -165.887 -3.04754 97.3351 19.1694 -143.144 PRESSAVG: 1218200 -32.9293 61.8726 5.5496 61.8726 -23.0426 72.1675 5.54971 72.1675 11.015 GPRESSAVG: 1218200 -32.8048 61.7974 4.61805 61.7155 -24.0309 70.1356 6.93352 72.5366 11.8154 TIMING: 1218200 CPU: 3631.1, 0.00298627/step Wall: 3631.1, 0.00298627/step, 3.13707 hours remaining, 208.574219 MB of memory in use. ENERGY: 1218200 764.9902 2112.6968 1878.3277 111.0655 -205920.7352 17518.3624 0.0000 0.0000 34167.2535 -149368.0392 298.3911 -183535.2927 -149270.5425 298.6251 -171.3093 -136.0804 556747.4268 -14.9856 -15.0068 PRESSURE: 1218400 -190.241 145.64 -26.2417 145.641 -48.6463 -35.6905 -26.2414 -35.6902 379.1 GPRESSURE: 1218400 -128.471 197.684 26.2171 110.603 5.47342 -53.4952 -70.3242 10.7383 368.028 PRESSAVG: 1218400 -55.4728 10.0547 -16.6008 10.0546 -76.1974 35.8005 -16.6008 35.8005 48.818 GPRESSAVG: 1218400 -54.9703 11.3685 -16.9751 11.4194 -76.8428 35.6164 -15.2154 35.5962 49.3322 TIMING: 1218400 CPU: 3631.7, 0.00301284/step Wall: 3631.7, 0.00301284/step, 3.16482 hours remaining, 208.777344 MB of memory in use. ENERGY: 1218400 749.9582 2086.1241 1923.3710 113.3557 -206136.3339 17735.2459 0.0000 0.0000 34251.7243 -149276.5546 299.1288 -183528.2789 -149178.5566 299.4643 46.7375 81.6768 556724.1621 -27.6174 -27.4936 PRESSURE: 1218600 66.1252 25.7547 -110.661 25.7551 -75.3869 109.59 -110.66 109.59 128.731 GPRESSURE: 1218600 79.7057 -1.39589 -45.1956 55.2648 -47.658 46.8546 -91.329 116.13 184.564 PRESSAVG: 1218600 -20.598 25.7736 -2.40501 25.7736 -57.0231 49.3823 -2.40499 49.3824 89.4807 GPRESSAVG: 1218600 -20.2481 23.8555 -0.507875 25.8295 -56.6434 49.3305 -5.16871 50.4178 88.0661 TIMING: 1218600 CPU: 3632.3, 0.00299209/step Wall: 3632.3, 0.00299209/step, 3.14286 hours remaining, 208.777344 MB of memory in use. ENERGY: 1218600 738.7296 2094.1822 1934.8687 114.7678 -206245.9752 17776.4523 0.0000 0.0000 34315.5592 -149271.4155 299.6863 -183586.9747 -149175.8492 298.8916 39.8231 72.2040 556606.5778 3.9532 3.7249 PRESSURE: 1218800 118.669 36.4622 174.108 36.4621 268.032 -119.187 174.109 -119.185 22.9783 GPRESSURE: 1218800 89.7648 18.9601 234.29 74.1538 387.799 -83.429 86.9871 -98.548 38.2528 PRESSAVG: 1218800 -29.0147 3.61475 -2.09909 3.61482 30.0746 -11.4708 -2.09908 -11.4708 25.094 GPRESSAVG: 1218800 -30.1529 3.12229 -1.94712 1.91069 29.5868 -9.87481 -1.68385 -11.2434 26.6524 TIMING: 1218800 CPU: 3632.9, 0.00299923/step Wall: 3632.9, 0.00299923/step, 3.15019 hours remaining, 208.777344 MB of memory in use. ENERGY: 1218800 749.9361 2068.6937 1941.1736 136.6297 -206487.0766 17948.4907 0.0000 0.0000 34373.3290 -149268.8239 300.1908 -183642.1529 -149174.9465 299.2125 136.5598 171.9390 556951.6893 8.7180 8.6954 PRESSURE: 1219000 -127.934 82.4763 -88.3266 82.4768 -237.643 33.0104 -88.3263 33.0094 -54.1702 GPRESSURE: 1219000 -115.428 115.938 -60.4218 1.99294 -200.41 30.4807 -123.66 17.603 -23.1107 PRESSAVG: 1219000 0.876824 -18.8241 -14.4838 -18.8241 7.074 2.48353 -14.4839 2.4836 6.54919 GPRESSAVG: 1219000 1.25787 -17.1052 -14.9554 -17.6246 7.28837 0.449137 -13.1213 1.88987 5.47446 TIMING: 1219000 CPU: 3633.5, 0.00300832/step Wall: 3633.5, 0.00300832/step, 3.15958 hours remaining, 208.777344 MB of memory in use. ENERGY: 1219000 760.2579 2147.3642 1933.4460 117.4819 -206000.7010 17623.9587 0.0000 0.0000 34113.8327 -149304.3596 297.9246 -183418.1923 -149206.9024 300.0386 -139.9157 -112.9829 557592.1110 4.8333 4.6736 PRESSURE: 1219200 -260.295 -32.1928 128.144 -32.1927 -139.076 24.2355 128.145 24.2342 -294.644 GPRESSURE: 1219200 -188.121 18.4538 178.733 -18.9753 -153.429 -7.08542 71.9558 4.40346 -258.24 PRESSAVG: 1219200 -60.4089 20.7743 -25.0684 20.7743 28.9735 -14.3782 -25.0684 -14.3782 13.5193 GPRESSAVG: 1219200 -60.053 18.7904 -26.8708 22.4862 28.2781 -12.3997 -24.2482 -13.7999 14.1265 TIMING: 1219200 CPU: 3634.09, 0.0029664/step Wall: 3634.09, 0.0029664/step, 3.11538 hours remaining, 208.777344 MB of memory in use. ENERGY: 1219200 763.6374 2167.6378 1922.0799 117.7893 -206226.6614 17592.2630 0.0000 0.0000 34361.2596 -149301.9944 300.0854 -183663.2540 -149206.2576 299.1240 -231.3383 -199.9300 557946.5200 -5.9721 -5.8828 PRESSURE: 1219400 -20.3216 30.911 158.074 30.9124 120.854 36.3483 158.073 36.3506 -108.386 GPRESSURE: 1219400 14.3202 23.6556 88.0622 -41.0767 186.119 -27.6846 178.029 68.4186 -99.0235 PRESSAVG: 1219400 -28.8328 -6.51498 16.6937 -6.51499 85.4046 21.2012 16.6936 21.2014 -43.7905 GPRESSAVG: 1219400 -28.2725 -4.48357 19.3116 -11.3043 85.7346 21.3675 16.2934 19.621 -44.5285 TIMING: 1219400 CPU: 3634.69, 0.00298122/step Wall: 3634.69, 0.00298122/step, 3.13077 hours remaining, 208.777344 MB of memory in use. ENERGY: 1219400 760.0876 2135.9836 1931.1258 108.3952 -206050.1742 17701.3672 0.0000 0.0000 34184.0158 -149229.1990 298.5375 -183413.2148 -149133.0096 300.0791 -2.6179 33.8051 558185.0601 4.2604 4.3112 PRESSURE: 1219600 31.9147 150.773 161.14 150.773 -205.117 103.841 161.14 103.841 -138.325 GPRESSURE: 1219600 -6.5706 136.955 112.074 184.625 -135.819 117.826 110.018 118.785 -73.9332 PRESSAVG: 1219600 -4.99196 -18.7166 25.0547 -18.7167 32.5794 33.285 25.0547 33.2848 -22.6658 GPRESSAVG: 1219600 -5.61176 -19.3616 24.0463 -16.3953 32.0475 32.3586 24.481 34.7255 -21.7354 TIMING: 1219600 CPU: 3635.29, 0.00300317/step Wall: 3635.29, 0.00300317/step, 3.15366 hours remaining, 208.777344 MB of memory in use. ENERGY: 1219600 753.6875 2135.0606 1950.3074 112.7366 -206411.1263 17831.4167 0.0000 0.0000 34204.5965 -149423.3210 298.7172 -183627.9175 -149333.6274 299.3363 -103.8422 -72.1075 556846.5127 1.6406 1.5668 PRESSURE: 1219800 -207.44 -2.69616 -33.82 -2.69562 -127.053 -85.0625 -33.8201 -85.0638 -215.217 GPRESSURE: 1219800 -177.793 21.9426 -43.2564 -13.0659 -138.043 -136.345 -41.4399 -81.089 -152.77 PRESSAVG: 1219800 -8.14378 26.8607 -33.6847 26.8607 -39.4227 -8.55372 -33.6847 -8.55378 48.5379 GPRESSAVG: 1219800 -8.04034 27.5494 -34.664 25.4527 -39.5081 -9.3485 -33.1284 -8.67055 48.5025 TIMING: 1219800 CPU: 3635.89, 0.00300539/step Wall: 3635.89, 0.00300539/step, 3.15582 hours remaining, 208.777344 MB of memory in use. ENERGY: 1219800 744.8454 2106.8450 1930.5041 123.4188 -205912.4467 17589.1946 0.0000 0.0000 34252.1295 -149165.5093 299.1324 -183417.6388 -149071.4247 299.5232 -183.2367 -156.2023 558959.9065 0.3238 0.3180 PRESSURE: 1220000 97.2832 11.735 -62.3044 11.7348 -54.128 -100.991 -62.3036 -100.992 -155.954 GPRESSURE: 1220000 146.609 84.5548 -71.3773 29.3005 -45.2137 -151.575 -82.7266 -85.432 -107.166 PRESSAVG: 1220000 15.4282 32.5353 -15.4315 32.5353 4.89347 -0.699673 -15.4314 -0.699525 -8.60993 GPRESSAVG: 1220000 16.0317 31.2449 -13.4497 32.4841 4.61363 0.711002 -15.7363 -2.23107 -8.83873 TIMING: 1220000 CPU: 3636.49, 0.00300077/step Wall: 3636.49, 0.00300077/step, 3.15081 hours remaining, 208.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1220000 767.7810 2095.5273 1884.6679 114.2840 -206242.1418 17882.9860 0.0000 0.0000 34336.7578 -149160.1378 299.8714 -183496.8956 -149060.6469 299.6170 -37.5995 -1.9234 558682.0339 3.9039 3.9355 PRESSURE: 1220200 168.375 94.4205 -96.8867 94.4223 -68.9508 -77.0869 -96.8865 -77.0881 359.594 GPRESSURE: 1220200 229.469 95.1194 -102.448 70.5544 -32.956 -78.106 -90.611 17.9098 354.907 PRESSAVG: 1220200 33.6388 19.4355 13.9228 19.4355 -15.1262 -14.3573 13.9228 -14.3574 5.94413 GPRESSAVG: 1220200 33.0743 20.322 14.2136 19.4788 -14.1744 -14.2607 12.3472 -12.7457 5.19195 TIMING: 1220200 CPU: 3637.1, 0.00302597/step Wall: 3637.1, 0.00302597/step, 3.1771 hours remaining, 208.777344 MB of memory in use. ENERGY: 1220200 726.1764 2097.8525 1943.2016 106.8427 -206312.8586 17981.0067 0.0000 0.0000 34313.6243 -149144.1545 299.6694 -183457.7788 -149052.5145 300.0227 153.0059 183.8066 557176.6731 8.1522 8.0306 LDB: ============= START OF LOAD BALANCING ============== 3640.65 LDB: ============== END OF LOAD BALANCING =============== 3640.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3640.65 LDB: ============= START OF LOAD BALANCING ============== 3640.95 LDB: Largest compute 4773 load 0.026425 is 22.3% of average load 0.118250 LDB: Average compute 0.001709 is 1.4% of average load 0.118250 LDB: TIME 3640.95 LOAD: AVG 0.11825 MAX 0.213192 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 3640.95 LOAD: AVG 0.11825 MAX 0.213192 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: TIME 3640.95 LOAD: AVG 0.11825 MAX 0.213192 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: ============== END OF LOAD BALANCING =============== 3640.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3640.96 PRESSURE: 1220400 38.4114 -43.8739 133.514 -43.8736 -66.0655 26.1478 133.513 26.1487 115.038 GPRESSURE: 1220400 106.571 -32.7014 142.13 -45.8336 -54.4588 -48.2432 128.461 34.3186 143.423 PRESSAVG: 1220400 -26.2678 21.0991 5.51248 21.0991 -3.95604 -38.1429 5.51261 -38.1428 28.9673 GPRESSAVG: 1220400 -25.5547 19.6864 3.85255 22.3658 -4.57549 -39.4787 9.23884 -38.6042 28.8534 TIMING: 1220400 CPU: 3637.71, 0.00305979/step Wall: 3637.71, 0.00305979/step, 3.21244 hours remaining, 207.535156 MB of memory in use. ENERGY: 1220400 745.1250 2082.1459 1935.2323 115.1571 -206427.7545 17871.1206 0.0000 0.0000 34401.1376 -149277.8360 300.4337 -183678.9736 -149188.6811 299.7515 29.1280 65.1785 556531.6805 -0.4188 -0.4256 PRESSURE: 1220600 93.711 -13.5278 7.7715 -13.5276 239.031 -44.3205 7.7712 -44.3199 106.222 GPRESSURE: 1220600 175.939 -4.13508 32.9979 -11.4129 228.904 22.4583 18.9197 -63.1852 139.046 PRESSAVG: 1220600 -9.95321 11.5972 57.7927 11.5973 -22.1279 -7.63401 57.7927 -7.63393 23.0619 GPRESSAVG: 1220600 -8.90396 12.4557 59.2522 10.295 -22.6239 -6.83282 53.81 -7.17564 22.4237 TIMING: 1220600 CPU: 3638.31, 0.00300774/step Wall: 3638.31, 0.00300774/step, 3.15763 hours remaining, 207.593750 MB of memory in use. ENERGY: 1220600 712.9359 2067.8865 1915.2644 113.2708 -206561.0158 18014.9642 0.0000 0.0000 34420.5177 -149316.1763 300.6029 -183736.6940 -149213.9947 299.2019 146.3215 181.2965 556293.8443 -3.0064 -3.0347 PRESSURE: 1220800 -42.3886 79.3541 70.3834 79.355 -29.004 73.402 70.3837 73.4022 -58.387 GPRESSURE: 1220800 -0.000132816 74.4654 79.5591 0.832112 37.3155 32.6449 52.8715 63.0069 -68.9899 PRESSAVG: 1220800 34.2789 51.2457 17.2857 51.2457 39.3233 6.37889 17.2857 6.3789 -40.391 GPRESSAVG: 1220800 33.7592 50.2439 16.9027 50.5962 39.4713 6.81088 18.5756 7.19005 -40.4419 TIMING: 1220800 CPU: 3638.91, 0.0030068/step Wall: 3638.91, 0.0030068/step, 3.15647 hours remaining, 207.593750 MB of memory in use. ENERGY: 1220800 769.5973 2087.7835 1938.9122 118.0885 -206288.3689 17758.5935 0.0000 0.0000 34158.8734 -149456.5205 298.3179 -183615.3939 -149363.5458 299.2768 -43.2598 -10.5581 556248.2794 11.0704 10.9295 PRESSURE: 1221000 201.046 -30.8956 67.9072 -30.8957 159.628 52.9094 67.9067 52.9076 78.8427 GPRESSURE: 1221000 204.629 69.9282 -4.9384 -41.9892 206.261 -39.9618 104.225 182.141 121.44 PRESSAVG: 1221000 -17.5144 42.9544 36.7019 42.9544 1.85314 3.44777 36.7019 3.44781 -51.3244 GPRESSAVG: 1221000 -18.3913 42.7258 34.7018 44.6205 2.08805 1.38582 37.3266 3.11665 -50.6682 TIMING: 1221000 CPU: 3639.51, 0.00299371/step Wall: 3639.51, 0.00299371/step, 3.14256 hours remaining, 207.593750 MB of memory in use. ENERGY: 1221000 729.7086 2121.1905 1935.3946 115.2978 -206211.4943 17914.2950 0.0000 0.0000 34082.4959 -149313.1120 297.6509 -183395.6079 -149226.1473 298.4811 146.5056 177.4433 555794.2510 -22.3286 -22.3238 PRESSURE: 1221200 -24.1441 -88.4769 -48.5776 -88.4764 1.30862 -12.5776 -48.5773 -12.5778 -349.934 GPRESSURE: 1221200 49.7364 -198.627 44.2661 2.32144 -39.4965 9.63799 -88.9461 -11.424 -291.893 PRESSAVG: 1221200 75.7209 19.3956 13.5981 19.3956 -13.6591 -31.6898 13.5982 -31.6898 -43.0762 GPRESSAVG: 1221200 75.2385 18.6495 13.9281 20.1163 -13.1847 -30.8706 13.5497 -31.8667 -43.287 TIMING: 1221200 CPU: 3640.1, 0.00296473/step Wall: 3640.1, 0.00296473/step, 3.11198 hours remaining, 207.593750 MB of memory in use. ENERGY: 1221200 758.8248 2125.2289 1885.7580 118.5195 -206050.6407 17706.2637 0.0000 0.0000 34169.7281 -149286.3177 298.4127 -183456.0458 -149188.9946 298.7868 -124.2565 -93.8845 557816.5181 6.3285 6.2556 PRESSURE: 1221400 30.9975 -70.3898 70.5247 -70.3893 -9.34565 -20.8448 70.5265 -20.8446 -81.0867 GPRESSURE: 1221400 67.6508 -89.1332 73.6275 -81.4214 22.105 -35.9218 55.0853 -74.6862 -42.0136 PRESSAVG: 1221400 -24.816 -20.9542 -3.62669 -20.9542 -29.956 28.9774 -3.62673 28.9775 57.7695 GPRESSAVG: 1221400 -23.9233 -19.2218 -2.60645 -22.1662 -30.466 28.2647 -3.43178 27.8034 57.5334 TIMING: 1221400 CPU: 3640.7, 0.00298658/step Wall: 3640.7, 0.00298658/step, 3.13475 hours remaining, 207.593750 MB of memory in use. ENERGY: 1221400 753.4659 2137.3208 1898.2756 108.7600 -206357.7081 18009.8570 0.0000 0.0000 34156.8699 -149293.1589 298.3004 -183450.0288 -149192.8214 298.9404 -19.8116 15.9140 557732.8465 0.9992 1.0480 PRESSURE: 1221600 297.367 -245.923 39.167 -245.924 154.865 -20.8888 39.167 -20.8871 -156.81 GPRESSURE: 1221600 286.459 -254.239 -52.5514 -282.261 197.744 -44.5462 91.0258 10.6592 -97.2979 PRESSAVG: 1221600 -47.4739 -44.1724 -5.73728 -44.1724 9.77323 -12.0662 -5.73737 -12.0662 12.4779 GPRESSAVG: 1221600 -48.3045 -43.5608 -5.40987 -44.6416 9.77204 -10.1601 -5.98532 -11.2158 13.6399 TIMING: 1221600 CPU: 3641.3, 0.00301553/step Wall: 3641.3, 0.00301553/step, 3.16497 hours remaining, 207.593750 MB of memory in use. ENERGY: 1221600 687.9178 2166.1145 1911.3066 107.3269 -206363.4691 17912.4487 0.0000 0.0000 34068.7661 -149509.5885 297.5310 -183578.3546 -149413.0609 299.1936 98.4741 128.9684 556230.0412 -8.4076 -8.2975 PRESSURE: 1221800 212.204 29.1406 147.668 29.1407 -62.5082 -5.28692 147.669 -5.28908 -111.705 GPRESSURE: 1221800 228.995 -1.08946 200.712 111.257 27.7065 34.1008 209.018 -2.99408 -117.406 PRESSAVG: 1221800 6.32922 -3.08493 41.9701 -3.08494 78.7701 -2.47378 41.9701 -2.47384 -74.8204 GPRESSAVG: 1221800 7.4135 -3.99484 43.1908 -2.21364 78.5573 -3.67654 41.0626 -3.22315 -75.6378 TIMING: 1221800 CPU: 3641.91, 0.00302505/step Wall: 3641.91, 0.00302505/step, 3.17479 hours remaining, 207.593750 MB of memory in use. ENERGY: 1221800 779.6175 2088.0689 1923.8959 117.8449 -206567.3016 18090.4175 0.0000 0.0000 34036.2643 -149531.1925 297.2472 -183567.4568 -149434.9809 298.1849 12.6637 46.4318 556465.2730 3.4263 3.4443 PRESSURE: 1222000 121.074 55.3196 163.117 55.3199 56.4277 -133.069 163.118 -133.068 -163.858 GPRESSURE: 1222000 131.332 52.6694 47.0313 37.9916 91.9275 -135.15 164.789 -122.007 -107.909 PRESSAVG: 1222000 46.422 22.5769 53.4734 22.5769 22.6893 31.4358 53.4733 31.4358 -43.465 GPRESSAVG: 1222000 45.3329 22.2907 52.4633 21.8395 24.9628 30.8428 52.3118 33.6308 -44.4148 TIMING: 1222000 CPU: 3642.52, 0.00304967/step Wall: 3642.52, 0.00304967/step, 3.20046 hours remaining, 207.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1222000 785.2209 2066.4031 1899.3078 115.1947 -206560.1012 17962.7638 0.0000 0.0000 34104.4038 -149626.8072 297.8422 -183731.2110 -149526.4045 299.0998 4.5479 38.4503 556904.7752 8.5488 8.6270 PRESSURE: 1222200 -19.5002 -18.2923 11.427 -18.2923 -54.0503 66.9737 11.4277 66.9729 -247.587 GPRESSURE: 1222200 -4.12012 22.4045 83.4968 23.2125 -41.8416 82.1256 33.6483 87.3931 -187.709 PRESSAVG: 1222200 37.2464 -35.0411 8.77129 -35.041 7.91702 -1.07833 8.77133 -1.07817 -31.4077 GPRESSAVG: 1222200 37.3185 -36.1572 9.36241 -33.4327 6.80189 -1.26334 9.21424 -1.66273 -30.173 TIMING: 1222200 CPU: 3643.12, 0.0030229/step Wall: 3643.12, 0.0030229/step, 3.1722 hours remaining, 207.593750 MB of memory in use. ENERGY: 1222200 767.3047 2113.9584 1928.0599 113.9505 -206630.8369 17769.5240 0.0000 0.0000 34275.3741 -149662.6652 299.3354 -183938.0393 -149571.1565 298.5246 -107.0459 -77.8903 557226.6555 4.5852 4.6491 PRESSURE: 1222400 -243.015 -74.6894 50.3431 -74.6895 -439.737 14.6425 50.3434 14.6408 -174.412 GPRESSURE: 1222400 -185.964 -131.319 76.4249 -44.5816 -442.676 -7.58238 102.035 31.5954 -146.782 PRESSAVG: 1222400 51.8165 -32.3846 47.3185 -32.3847 -5.53154 -16.8407 47.3186 -16.8408 -54.1118 GPRESSAVG: 1222400 51.8805 -32.4046 46.5139 -32.7429 -5.98378 -17.3248 46.6417 -17.1293 -54.3847 TIMING: 1222400 CPU: 3643.72, 0.00299747/step Wall: 3643.72, 0.00299747/step, 3.14535 hours remaining, 207.593750 MB of memory in use. ENERGY: 1222400 729.9306 1997.4724 1925.9945 104.9853 -205783.3817 17203.0375 0.0000 0.0000 34318.3005 -149503.6609 299.7103 -183821.9614 -149407.2925 298.9688 -285.7211 -258.4742 557003.7018 -2.6090 -2.8293 PRESSURE: 1222600 -26.7727 35.6244 85.5282 35.6245 196.201 -113.531 85.5287 -113.532 -176.275 GPRESSURE: 1222600 35.1131 53.5818 94.5632 -28.8509 210.188 -79.8892 29.4249 -76.114 -146.269 PRESSAVG: 1222600 46.7786 -17.7737 34.1029 -17.7737 32.4066 -38.8466 34.1028 -38.8467 -21.0777 GPRESSAVG: 1222600 46.4966 -16.0042 32.6434 -19.6721 32.4709 -37.0705 36.0028 -40.332 -20.1969 TIMING: 1222600 CPU: 3644.32, 0.00296175/step Wall: 3644.32, 0.00296175/step, 3.1077 hours remaining, 207.593750 MB of memory in use. ENERGY: 1222600 735.8652 2081.7887 1903.0456 121.1639 -206127.8345 17808.5594 0.0000 0.0000 33951.6393 -149525.7725 296.5081 -183477.4118 -149435.7615 298.5373 -2.2822 33.0107 558712.1569 19.3692 19.5902 PRESSURE: 1222800 -133.981 107.915 -215.005 107.916 279.545 -75.5577 -215.004 -75.5565 33.8562 GPRESSURE: 1222800 -136.141 53.5525 -247.841 144.099 369.492 -199.176 -143.493 -24.3853 48.1552 PRESSAVG: 1222800 34.9551 -17.0537 -9.46176 -17.0537 5.19156 2.17637 -9.46179 2.17641 -79.5227 GPRESSAVG: 1222800 35.2296 -19.3499 -8.13225 -15.1202 5.32218 2.25965 -7.2574 2.03262 -79.3965 TIMING: 1222800 CPU: 3644.91, 0.00296216/step Wall: 3644.91, 0.00296216/step, 3.10796 hours remaining, 207.593750 MB of memory in use. ENERGY: 1222800 714.8834 2059.6851 1921.7334 106.8252 -206185.3354 17830.5214 0.0000 0.0000 34219.4455 -149332.2413 298.8469 -183551.6869 -149233.3033 297.9413 59.8065 93.8352 556837.2075 -13.1254 -12.9482 PRESSURE: 1223000 22.3087 -39.4494 19.0003 -39.4484 -175.19 29.1446 19.0003 29.1442 69.0625 GPRESSURE: 1223000 8.85287 -61.7269 -0.263055 -126.667 -136.067 71.1894 0.347323 6.02459 142.07 PRESSAVG: 1223000 -40.6783 10.7416 8.50136 10.7416 61.3252 9.23941 8.50144 9.23943 21.4967 GPRESSAVG: 1223000 -40.9962 11.872 10.3822 10.5036 60.919 8.61586 5.04101 10.8184 22.5492 TIMING: 1223000 CPU: 3645.5, 0.00295621/step Wall: 3645.5, 0.00295621/step, 3.10156 hours remaining, 207.593750 MB of memory in use. ENERGY: 1223000 750.1010 2036.0926 1933.5273 101.7099 -206181.5213 17794.0707 0.0000 0.0000 34138.5796 -149427.4403 298.1407 -183566.0199 -149332.3323 298.9580 -27.9398 4.9519 557056.4977 14.0479 14.1574 PRESSURE: 1223200 -30.7811 -122.174 16.0171 -122.174 -185.546 0.941142 16.0178 0.939616 -195.459 GPRESSURE: 1223200 -39.5378 -107.417 -26.2671 -53.4369 -178.517 -5.74978 36.4415 71.1318 -117.484 PRESSAVG: 1223200 -13.1115 -6.30018 -28.9113 -6.30021 -43.0833 54.713 -28.9112 54.713 77.1604 GPRESSAVG: 1223200 -13.0543 -5.02117 -30.2439 -6.02714 -42.4776 54.6751 -28.5644 54.4173 76.5768 TIMING: 1223200 CPU: 3646.09, 0.00297048/step Wall: 3646.09, 0.00297048/step, 3.11636 hours remaining, 207.593750 MB of memory in use. ENERGY: 1223200 728.2216 2060.1831 1933.9342 121.8938 -206058.8366 17566.2529 0.0000 0.0000 34214.3440 -149434.0070 298.8024 -183648.3509 -149337.7550 298.7377 -137.2617 -111.8464 556051.1228 6.9886 7.0150 PRESSURE: 1223400 -211.413 -124.308 38.0679 -124.308 -88.0658 -96.4396 38.0678 -96.4387 63.8812 GPRESSURE: 1223400 -94.7701 -88.1799 32.5964 -185.381 -67.4842 -50.2683 138.931 -118.039 33.3133 PRESSAVG: 1223400 19.2267 4.30231 -3.18081 4.30224 -37.352 6.1313 -3.18077 6.13124 -16.8142 GPRESSAVG: 1223400 20.002 4.07586 -3.61296 5.10943 -38.0065 7.41809 -0.354076 4.84257 -16.5228 TIMING: 1223400 CPU: 3646.7, 0.00302271/step Wall: 3646.7, 0.00302271/step, 3.17099 hours remaining, 207.593750 MB of memory in use. ENERGY: 1223400 762.8225 2061.0140 1934.5687 120.7966 -206255.4306 17797.0590 0.0000 0.0000 34128.0569 -149451.1130 298.0488 -183579.1699 -149355.9059 298.5271 -78.5324 -42.9803 555403.3436 -11.6465 -11.5091 PRESSURE: 1223600 327.93 125.337 -108.589 125.337 225.216 -63.8367 -108.589 -63.8372 254.471 GPRESSURE: 1223600 297.623 135.108 -120.089 116.427 308.916 -79.8166 -106.071 -8.27371 300.211 PRESSAVG: 1223600 -25.0713 8.76758 18.5388 8.76752 36.0551 17.9613 18.5388 17.9612 5.69257 GPRESSAVG: 1223600 -25.1076 8.09176 17.6459 5.43695 36.1954 16.5809 17.7793 20.9469 5.46389 TIMING: 1223600 CPU: 3647.3, 0.00302491/step Wall: 3647.3, 0.00302491/step, 3.17313 hours remaining, 207.593750 MB of memory in use. ENERGY: 1223600 716.5978 2052.4965 1891.0428 113.7240 -206615.2884 18130.1758 0.0000 0.0000 34283.6587 -149427.5928 299.4077 -183711.2515 -149331.7163 298.7809 269.2058 302.2501 555021.4596 5.5588 5.5172 PRESSURE: 1223800 -27.2776 36.8222 0.230803 36.8223 -69.3912 -21.7446 0.229695 -21.7437 -13.5517 GPRESSURE: 1223800 12.869 83.2068 100.982 -23.7975 -41.4137 -39.8868 -26.4143 -37.721 10.5008 PRESSAVG: 1223800 70.8558 41.2012 60.3744 41.2013 -77.7261 -22.034 60.3743 -22.0341 -3.41577 GPRESSAVG: 1223800 70.9316 41.8406 61.9917 40.6847 -77.5957 -18.8522 60.1761 -23.8447 -3.66587 TIMING: 1223800 CPU: 3647.91, 0.00301913/step Wall: 3647.91, 0.00301913/step, 3.1669 hours remaining, 207.593750 MB of memory in use. ENERGY: 1223800 747.3261 2018.2383 1917.9269 113.4802 -206276.2602 17714.5774 0.0000 0.0000 34284.9488 -149479.7625 299.4190 -183764.7113 -149377.3438 298.5603 -36.7402 -6.0146 556384.5134 -3.4287 -3.4433 PRESSURE: 1224000 171.943 -104.298 92.4995 -104.298 148.305 -43.2179 92.5002 -43.2176 201.838 GPRESSURE: 1224000 165.23 -127.072 48.3027 -69.693 212.589 -126.473 91.7947 -16.1372 245.28 PRESSAVG: 1224000 8.12981 3.03222 8.98054 3.03227 19.4252 33.1926 8.98053 33.1924 -13.7547 GPRESSAVG: 1224000 7.34333 2.64755 6.44718 5.98952 21.0778 31.4278 10.2686 32.5773 -14.6942 TIMING: 1224000 CPU: 3648.51, 0.00302594/step Wall: 3648.51, 0.00302594/step, 3.17387 hours remaining, 207.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1224000 769.2931 2050.5465 1932.1886 118.0773 -206499.6150 18075.5307 0.0000 0.0000 34106.0348 -149447.9441 297.8565 -183553.9789 -149354.0916 298.5834 174.0284 207.6998 557196.7054 4.6001 4.5757 PRESSURE: 1224200 -57.1856 -126.559 66.9108 -126.559 82.0309 19.4125 66.9112 19.4135 -25.3637 GPRESSURE: 1224200 -33.7313 -145.096 90.4626 24.1428 113.269 -20.5928 -12.4898 22.245 9.18952 PRESSAVG: 1224200 -35.9381 -14.4451 -14.1972 -14.4451 2.20999 17.8425 -14.1972 17.8426 24.4441 GPRESSAVG: 1224200 -36.3267 -13.3427 -12.1732 -15.952 2.60038 15.7271 -14.7346 19.9093 24.3951 TIMING: 1224200 CPU: 3649.11, 0.00301131/step Wall: 3649.11, 0.00301131/step, 3.15836 hours remaining, 207.593750 MB of memory in use. ENERGY: 1224200 706.5966 2076.4699 1891.5707 106.5675 -206293.6908 17720.4445 0.0000 0.0000 34403.1505 -149388.8912 300.4513 -183792.0417 -149300.1909 299.0873 -0.1728 29.5759 558893.1567 -3.0947 -3.1104 LDB: ============= START OF LOAD BALANCING ============== 3652.67 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3652.67 LDB: =============== DONE WITH MIGRATION ================ 3652.67 LDB: ============= START OF LOAD BALANCING ============== 3652.97 LDB: Largest compute 4773 load 0.028158 is 23.8% of average load 0.118135 LDB: Average compute 0.001720 is 1.5% of average load 0.118135 LDB: TIME 3652.97 LOAD: AVG 0.118135 MAX 0.210418 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.762 MB LDB: TIME 3652.97 LOAD: AVG 0.118135 MAX 0.210418 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: TIME 3652.97 LOAD: AVG 0.118135 MAX 0.210418 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: ============== END OF LOAD BALANCING =============== 3652.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3652.98 PRESSURE: 1224400 -13.5715 189.062 -52.2493 189.063 -225.358 -134.969 -52.2483 -134.97 -227.367 GPRESSURE: 1224400 13.294 90.6432 -130.762 209.479 -203.567 -139.502 -60.6251 -165.07 -183.728 PRESSAVG: 1224400 -53.7286 1.86856 30.6684 1.86862 21.1468 -10.2421 30.6684 -10.2421 37.4305 GPRESSAVG: 1224400 -52.8167 1.29257 31.0998 1.61726 20.1855 -10.8332 29.8959 -11.8464 37.6286 TIMING: 1224400 CPU: 3649.73, 0.00308454/step Wall: 3649.73, 0.00308454/step, 3.235 hours remaining, 207.589844 MB of memory in use. ENERGY: 1224400 713.0286 2097.5235 1916.4863 129.1820 -206211.9649 17788.2226 0.0000 0.0000 34335.4730 -149232.0488 299.8602 -183567.5218 -149135.5432 298.8239 -155.4322 -124.6671 558917.9336 1.6162 1.6658 PRESSURE: 1224600 32.7861 36.8402 6.75723 36.8415 -86.575 -38.0151 6.75736 -38.0158 -175.91 GPRESSURE: 1224600 45.8319 53.7486 -39.1053 -2.61385 -34.5553 -54.233 68.1724 -65.5115 -143.907 PRESSAVG: 1224600 -5.92991 -0.881157 10.5156 -0.881133 22.552 -11.987 10.5157 -11.987 13.0668 GPRESSAVG: 1224600 -6.93089 -1.15712 10.1559 2.55607 22.4183 -10.2278 9.98893 -12.4346 14.1063 TIMING: 1224600 CPU: 3650.33, 0.00300271/step Wall: 3650.33, 0.00300271/step, 3.149 hours remaining, 207.792969 MB of memory in use. ENERGY: 1224600 740.9786 2054.0469 1947.8530 119.0623 -206249.5802 17800.8057 0.0000 0.0000 34237.5755 -149349.2581 299.0053 -183586.8336 -149250.9412 298.5375 -76.5663 -44.2102 558183.8373 9.8963 9.8646 PRESSURE: 1224800 -273.246 54.1496 -132.709 54.1506 -107.923 45.1364 -132.711 45.1357 -63.1749 GPRESSURE: 1224800 -269.395 7.56281 -152.126 13.4772 -67.3855 -7.5508 -94.7654 61.8511 -18.3577 PRESSAVG: 1224800 23.1243 45.2867 -78.4751 45.2868 0.194873 -8.54877 -78.4751 -8.54867 -25.6847 GPRESSAVG: 1224800 23.8054 44.9757 -77.6815 43.8335 -0.573605 -10.814 -76.0386 -7.84638 -25.988 TIMING: 1224800 CPU: 3650.93, 0.00297719/step Wall: 3650.93, 0.00297719/step, 3.12208 hours remaining, 207.792969 MB of memory in use. ENERGY: 1224800 750.5665 2014.2062 1909.5538 120.4894 -205929.9908 17601.4605 0.0000 0.0000 34103.0605 -149430.6537 297.8305 -183533.7143 -149335.4801 299.0617 -148.1145 -118.3793 557502.8031 -0.7885 -0.9187 PRESSURE: 1225000 145.449 -123.007 100.484 -123.006 113.073 59.3752 100.484 59.375 106.639 GPRESSURE: 1225000 188.61 -80.3373 103.366 -121.332 150.711 24.819 71.3486 200.811 120.41 PRESSAVG: 1225000 47.1045 -41.4503 8.45029 -41.4503 25.0998 -12.7869 8.45031 -12.7869 -33.8825 GPRESSAVG: 1225000 46.339 -41.0738 8.50953 -41.0916 25.6685 -11.9144 7.20707 -11.8969 -33.573 TIMING: 1225000 CPU: 3651.52, 0.00298249/step Wall: 3651.52, 0.00298249/step, 3.12747 hours remaining, 207.792969 MB of memory in use. ENERGY: 1225000 684.2373 2040.8690 1932.5202 114.6450 -206184.4786 17829.3357 0.0000 0.0000 34200.7818 -149382.0896 298.6839 -183582.8714 -149284.0442 298.8562 121.7204 153.2439 557240.2084 12.7739 12.8115 PRESSURE: 1225200 -313.886 32.927 -9.54896 32.9257 -144.732 128.213 -9.54774 128.213 -229.849 GPRESSURE: 1225200 -268.363 112.086 -49.8832 77.7797 -100.218 179.894 61.9409 67.0072 -220.03 PRESSAVG: 1225200 10.0336 4.16941 27.1628 4.16941 25.6539 2.91469 27.1628 2.91472 21.0424 GPRESSAVG: 1225200 11.079 5.0371 26.2561 3.00198 25.5971 4.45642 27.7086 1.34358 19.4573 TIMING: 1225200 CPU: 3652.12, 0.0029831/step Wall: 3652.12, 0.0029831/step, 3.12795 hours remaining, 207.792969 MB of memory in use. ENERGY: 1225200 777.1573 2048.2863 1922.0269 112.0922 -205896.1277 17495.1618 0.0000 0.0000 34183.0232 -149358.3800 298.5288 -183541.4032 -149261.3393 299.2185 -229.4890 -196.2037 557707.0645 18.9099 18.7111 PRESSURE: 1225400 -65.2658 -71.3678 -32.9072 -71.368 -51.295 29.3035 -32.906 29.3039 -283.658 GPRESSURE: 1225400 -13.7649 -40.6905 -91.265 -67.9279 -77.112 133.25 -73.7308 40.9591 -208.422 PRESSAVG: 1225400 29.6974 -70.3332 16.7057 -70.3332 23.5599 33.8199 16.7058 33.8199 22.2195 GPRESSAVG: 1225400 29.2355 -73.1574 17.9626 -69.5971 23.4807 31.0867 15.3097 35.6061 22.2191 TIMING: 1225400 CPU: 3652.72, 0.00297848/step Wall: 3652.72, 0.00297848/step, 3.12293 hours remaining, 207.792969 MB of memory in use. ENERGY: 1225400 743.0806 2072.1391 1919.1285 111.4857 -205806.5862 17633.4535 0.0000 0.0000 34077.2915 -149250.0071 297.6055 -183327.2986 -149160.1124 299.5136 -133.4063 -99.7661 558823.6284 25.1589 24.9784 PRESSURE: 1225600 34.6575 94.1813 -16.3275 94.1801 134.124 -109.761 -16.3269 -109.761 69.9457 GPRESSURE: 1225600 111.263 73.8923 -18.7 102.555 161.178 -37.1073 -29.7262 -117.359 55.1199 PRESSAVG: 1225600 35.1164 -28.6555 -0.570363 -28.6555 45.6248 24.3132 -0.570354 24.3131 -48.4901 GPRESSAVG: 1225600 33.871 -27.7609 -2.5572 -27.8951 46.3142 27.1726 0.740524 22.74 -48.2536 TIMING: 1225600 CPU: 3653.31, 0.00295193/step Wall: 3653.31, 0.00295193/step, 3.09494 hours remaining, 207.792969 MB of memory in use. ENERGY: 1225600 722.3144 2049.3171 1931.9479 119.3484 -206300.2787 17953.2763 0.0000 0.0000 34224.8325 -149299.2420 298.8940 -183524.0746 -149196.4290 299.2200 79.5756 109.1869 558438.4425 10.7504 10.6439 PRESSURE: 1225800 -130.868 -22.549 44.0082 -22.5497 -30.1402 160.734 44.0088 160.734 -223.391 GPRESSURE: 1225800 -132.754 -30.9851 89.6181 -46.3383 -20.9643 91.0759 71.999 189.7 -139.462 PRESSAVG: 1225800 -43.2369 -21.6707 2.15416 -21.6707 37.5125 -40.7139 2.15417 -40.7138 -32.1261 GPRESSAVG: 1225800 -43.383 -20.003 3.61907 -22.5068 37.3814 -42.0653 2.00321 -40.7352 -31.553 TIMING: 1225800 CPU: 3653.9, 0.00296656/step Wall: 3653.9, 0.00296656/step, 3.11011 hours remaining, 207.792969 MB of memory in use. ENERGY: 1225800 745.7032 2102.7531 1898.8199 115.8995 -205842.4553 17417.0470 0.0000 0.0000 34347.4881 -149214.7444 299.9652 -183562.2325 -149119.7542 299.5661 -128.1331 -97.7269 556931.6764 -12.6168 -12.5182 PRESSURE: 1226000 -34.9038 102.809 44.6802 102.809 135.455 -31.9958 44.6813 -31.9958 165.548 GPRESSURE: 1226000 29.1702 59.6299 37.6759 185.089 133.37 61.4357 -15.1335 -149.06 187.349 PRESSAVG: 1226000 -47.5748 -17.4762 37.3906 -17.4762 71.281 -38.2696 37.3907 -38.2697 -27.1502 GPRESSAVG: 1226000 -46.1511 -18.3106 37.2027 -16.2917 70.7945 -38.4942 37.1166 -39.2785 -27.9551 TIMING: 1226000 CPU: 3654.51, 0.00302944/step Wall: 3654.51, 0.00302944/step, 3.17587 hours remaining, 207.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1226000 726.9810 2089.8073 1936.8565 102.6289 -206296.4600 18007.2000 0.0000 0.0000 34221.2322 -149211.7541 298.8625 -183432.9864 -149120.9162 299.3052 88.6997 116.6298 557793.8348 -1.1480 -1.1039 PRESSURE: 1226200 -324.038 -7.47206 -85.6357 -7.47033 67.0666 -140.424 -85.6348 -140.426 -255.141 GPRESSURE: 1226200 -250.038 114.142 -100.637 -54.2797 69.5852 -171.308 -9.35067 -42.8112 -232.601 PRESSAVG: 1226200 -55.1836 -13.6023 -6.46545 -13.6025 67.1238 -29.0009 -6.46558 -29.0008 -12.5996 GPRESSAVG: 1226200 -53.8172 -13.4602 -5.95145 -13.1294 67.2067 -28.0678 -7.04003 -27.8268 -13.7341 TIMING: 1226200 CPU: 3655.1, 0.002992/step Wall: 3655.1, 0.002992/step, 3.13645 hours remaining, 207.792969 MB of memory in use. ENERGY: 1226200 773.0402 2080.0861 1931.3687 111.6719 -205829.3289 17484.7224 0.0000 0.0000 34359.9253 -149088.5143 300.0738 -183448.4396 -148988.4886 299.5552 -170.7039 -137.6843 558735.9678 -0.2198 -0.1149 PRESSURE: 1226400 73.6606 -17.3939 71.6454 -17.3927 85.7222 -75.3199 71.646 -75.3193 40.3085 GPRESSURE: 1226400 118.294 62.3718 57.388 -65.2935 112.897 -83.4169 46.3664 -145.389 58.8449 PRESSAVG: 1226400 -7.81619 -18.5759 9.99532 -18.5758 54.8278 13.2047 9.99535 13.2047 -70.8203 GPRESSAVG: 1226400 -9.05779 -19.3994 9.11736 -17.9876 55.7544 12.0971 9.78438 11.3608 -70.6661 TIMING: 1226400 CPU: 3655.7, 0.0029662/step Wall: 3655.7, 0.0029662/step, 3.10923 hours remaining, 207.792969 MB of memory in use. ENERGY: 1226400 712.2672 2108.3570 1908.2158 104.7967 -205831.0090 17891.0048 0.0000 0.0000 34136.7773 -148969.5901 298.1250 -183106.3674 -148878.5180 298.9674 66.5638 96.6783 559097.6478 -7.9362 -7.9898 PRESSURE: 1226600 56.9967 -44.3619 -5.954 -44.3618 -410.571 129.39 -5.95475 129.391 -125.926 GPRESSURE: 1226600 50.7831 52.51 -44.5203 -96.383 -364.903 77.6879 -9.11468 98.0319 -71.4438 PRESSAVG: 1226600 51.8603 -12.5605 -3.05023 -12.5605 -22.4474 3.69586 -3.05022 3.69586 -45.0394 GPRESSAVG: 1226600 50.2746 -11.2642 -2.76996 -15.0493 -22.6702 4.62408 -3.50123 4.7871 -43.3838 TIMING: 1226600 CPU: 3656.29, 0.00297545/step Wall: 3656.29, 0.00297545/step, 3.11876 hours remaining, 207.792969 MB of memory in use. ENERGY: 1226600 786.0012 2018.5928 1915.4813 111.1798 -205620.0744 17561.5177 0.0000 0.0000 34242.2446 -148985.0572 299.0460 -183227.3017 -148888.9477 300.2887 -159.8336 -128.5214 558593.6572 -5.2088 -5.2598 PRESSURE: 1226800 206.625 57.6926 28.7344 57.692 -169.356 -7.90119 28.7355 -7.89993 -76.8291 GPRESSURE: 1226800 224.913 69.5599 47.0391 86.603 -139.146 -71.4614 77.06 -47.1451 -35.3083 PRESSAVG: 1226800 53.6858 -42.6225 11.8382 -42.6224 -53.5059 10.2794 11.8382 10.2793 -19.7106 GPRESSAVG: 1226800 54.5206 -41.6269 10.7458 -40.0173 -54.2897 8.6829 15.2292 10.281 -19.6545 TIMING: 1226800 CPU: 3656.89, 0.00299024/step Wall: 3656.89, 0.00299024/step, 3.13411 hours remaining, 207.792969 MB of memory in use. ENERGY: 1226800 737.8548 2041.1544 1906.8645 117.5423 -206001.6280 17816.9746 0.0000 0.0000 34351.4656 -149029.7717 299.9999 -183381.2374 -148925.9595 299.1938 -13.1867 16.8197 558277.1455 -6.5102 -6.4745 PRESSURE: 1227000 -110.525 146.854 11.9575 146.854 115.111 12.0212 11.9572 12.0211 -276.621 GPRESSURE: 1227000 -32.0435 116.077 43.2372 136.201 105.892 74.284 1.47931 -57.9968 -231.803 PRESSAVG: 1227000 -3.29793 6.27119 0.762948 6.27125 58.2253 3.47964 0.763 3.47978 -30.8398 GPRESSAVG: 1227000 -2.76027 4.60678 1.85077 5.82154 58.4763 3.60059 -1.31145 4.4699 -31.6384 TIMING: 1227000 CPU: 3657.49, 0.00298209/step Wall: 3657.49, 0.00298209/step, 3.12539 hours remaining, 207.792969 MB of memory in use. ENERGY: 1227000 716.2992 2089.1986 1935.4237 103.1119 -206200.7564 17851.7441 0.0000 0.0000 34247.4268 -149257.5522 299.0913 -183504.9789 -149160.0106 299.0899 -90.6784 -52.6516 559780.2090 8.0292 8.0259 PRESSURE: 1227200 -64.5269 -16.6605 -129.234 -16.6612 -9.96462 46.8005 -129.235 46.8008 115.788 GPRESSURE: 1227200 -75.0351 -78.0375 -201.574 -4.43248 44.3997 85.1597 -60.4301 26.6586 165.031 PRESSAVG: 1227200 5.01638 33.3198 20.7394 33.3198 11.6146 65.2312 20.7394 65.2313 -22.9673 GPRESSAVG: 1227200 3.51597 32.5228 18.6847 31.6499 11.5554 67.24 21.1082 63.8062 -22.0103 TIMING: 1227200 CPU: 3658.08, 0.00298051/step Wall: 3658.08, 0.00298051/step, 3.12357 hours remaining, 207.792969 MB of memory in use. ENERGY: 1227200 714.1912 2053.6941 1943.6976 118.6375 -206515.1607 17969.5091 0.0000 0.0000 34532.7289 -149182.7023 301.5829 -183715.4312 -149083.0653 299.1742 13.7654 44.7984 557998.3265 -2.1121 -2.3130 PRESSURE: 1227400 62.701 57.7019 -41.3576 57.7023 -272.281 269.017 -41.3575 269.018 -174.833 GPRESSURE: 1227400 89.1574 71.0208 8.78324 76.0202 -225.512 282.391 -114.711 229.274 -156.374 PRESSAVG: 1227400 43.129 -24.5659 -44.0591 -24.5659 -63.6072 43.2934 -44.059 43.2934 48.6494 GPRESSAVG: 1227400 43.2086 -24.4585 -42.328 -25.5768 -63.1071 42.8628 -43.606 43.3671 47.9033 TIMING: 1227400 CPU: 3658.68, 0.00297438/step Wall: 3658.68, 0.00297438/step, 3.11699 hours remaining, 207.792969 MB of memory in use. ENERGY: 1227400 755.5205 2126.0564 1921.8710 119.4899 -206043.1191 17576.2844 0.0000 0.0000 34304.7119 -149239.1851 299.5916 -183543.8969 -149146.2110 299.0500 -128.1376 -97.5762 557099.2602 9.3904 9.3349 PRESSURE: 1227600 -226.047 64.0271 79.9899 64.0278 -275.055 20.6779 79.9905 20.6769 -289.935 GPRESSURE: 1227600 -168.492 45.1558 162.603 -41.5615 -264.39 -32.7572 125.133 118.83 -260.184 PRESSAVG: 1227600 44.8242 14.5865 19.6736 14.5866 32.9837 9.09366 19.6738 9.09365 -45.2866 GPRESSAVG: 1227600 44.6232 14.4493 20.1852 14.4721 33.1434 7.33158 19.0312 7.82869 -45.4898 TIMING: 1227600 CPU: 3659.28, 0.00299996/step Wall: 3659.28, 0.00299996/step, 3.14363 hours remaining, 207.792969 MB of memory in use. ENERGY: 1227600 747.2147 2089.1847 1924.7623 106.9562 -206035.9029 17544.2993 0.0000 0.0000 34373.8635 -149249.6222 300.1955 -183623.4858 -149149.2163 299.2055 -263.6792 -231.0218 558938.4726 10.8405 10.7589 PRESSURE: 1227800 2.76012 48.7878 39.0202 48.787 -65.6285 147.858 39.0201 147.856 272.009 GPRESSURE: 1227800 51.6553 49.0506 118.395 21.7208 -68.3924 142.266 40.1058 162.704 305.425 PRESSAVG: 1227800 -16.6349 -0.671358 45.8777 -0.671327 -2.15791 -6.40914 45.8777 -6.40917 45.3887 GPRESSAVG: 1227800 -16.4361 0.582204 44.3685 2.23806 -3.32282 -5.2476 47.7273 -6.5452 45.9678 TIMING: 1227800 CPU: 3659.87, 0.0029782/step Wall: 3659.87, 0.0029782/step, 3.12066 hours remaining, 207.792969 MB of memory in use. ENERGY: 1227800 724.4050 2054.5955 1941.1814 97.1805 -206372.9441 17957.9454 0.0000 0.0000 34283.6588 -149313.9775 299.4077 -183597.6363 -149211.7806 299.5783 69.7137 96.2295 557607.9969 8.8653 8.7363 PRESSURE: 1228000 165.025 -16.7117 -41.4718 -16.7115 -203.859 -65.7109 -41.4714 -65.7125 -60.2806 GPRESSURE: 1228000 120.934 -81.8435 -103.818 21.9022 -112.949 -56.7529 67.9215 -36.8683 -16.048 PRESSAVG: 1228000 -18.527 -4.72562 26.9628 -4.72553 11.5599 -21.7582 26.9629 -21.7582 -1.08008 GPRESSAVG: 1228000 -18.7311 -5.64229 26.5248 -5.81574 12.4308 -23.1741 26.6782 -19.1696 -2.2789 TIMING: 1228000 CPU: 3660.47, 0.0030021/step Wall: 3660.47, 0.0030021/step, 3.14553 hours remaining, 207.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1228000 742.4622 2108.5472 1905.3806 103.8642 -206132.4137 17672.5097 0.0000 0.0000 34217.4755 -149382.1743 298.8297 -183599.6498 -149286.6791 298.9267 -33.0382 -2.6877 556576.6498 -2.6824 -2.8597 PRESSURE: 1228200 230.86 132.678 -40.3478 132.677 172.722 -20.4748 -40.3472 -20.4751 222.583 GPRESSURE: 1228200 293.519 97.9073 -19.4018 123.087 207.723 -22.313 -4.05274 -11.7181 226.314 PRESSAVG: 1228200 9.57926 -79.8488 15.2739 -79.8489 -23.3491 35.9022 15.2738 35.9022 7.63487 GPRESSAVG: 1228200 9.62967 -79.5543 15.8901 -81.6556 -23.6456 37.2695 13.0221 33.5463 7.8024 TIMING: 1228200 CPU: 3661.07, 0.00299171/step Wall: 3661.07, 0.00299171/step, 3.13448 hours remaining, 207.792969 MB of memory in use. ENERGY: 1228200 735.0980 2127.6596 1936.3179 109.2287 -206361.4128 18011.3195 0.0000 0.0000 34144.8258 -149296.9633 298.1953 -183441.7891 -149211.0669 299.1140 208.7215 242.5188 555878.8417 -2.0450 -2.0712 LDB: ============= START OF LOAD BALANCING ============== 3664.62 LDB: ============== END OF LOAD BALANCING =============== 3664.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3664.63 LDB: ============= START OF LOAD BALANCING ============== 3664.93 LDB: Largest compute 4773 load 0.028324 is 24.0% of average load 0.118133 LDB: Average compute 0.001717 is 1.5% of average load 0.118133 LDB: TIME 3664.93 LOAD: AVG 0.118133 MAX 0.210905 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.434 MB LDB: TIME 3664.93 LOAD: AVG 0.118133 MAX 0.210905 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.438 MB LDB: TIME 3664.93 LOAD: AVG 0.118133 MAX 0.210905 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.438 MB LDB: ============== END OF LOAD BALANCING =============== 3664.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3664.94 PRESSURE: 1228400 -124.574 89.7064 258.46 89.7063 -63.8295 27.0028 258.46 27.0023 -313.238 GPRESSURE: 1228400 -101.069 127.957 262.182 95.4254 -27.1324 107.956 245.077 30.8781 -284.721 PRESSAVG: 1228400 52.2903 -33.7797 19.2224 -33.7797 31.3488 -46.8571 19.2224 -46.8571 -24.6807 GPRESSAVG: 1228400 50.7655 -34.9415 19.1595 -31.7509 33.4573 -46.3856 19.4874 -47.4467 -25.5136 TIMING: 1228400 CPU: 3661.69, 0.00307333/step Wall: 3661.69, 0.00307333/step, 3.21982 hours remaining, 207.851562 MB of memory in use. ENERGY: 1228400 711.7854 2046.8347 1913.5536 110.7851 -205727.8896 17526.8019 0.0000 0.0000 34210.8247 -149207.3042 298.7716 -183418.1289 -149099.1583 299.5113 -167.2139 -137.6408 558162.7403 19.6528 19.5697 PRESSURE: 1228600 -299.107 36.9404 -7.53352 36.9411 -305.929 134.364 -7.53276 134.364 -239.307 GPRESSURE: 1228600 -276.989 26.9138 -50.2687 24.9141 -288.887 108.087 -24.0048 174.589 -189.78 PRESSAVG: 1228600 0.16069 -2.71848 12.7819 -2.71852 -7.26793 3.0159 12.782 3.0158 32.3619 GPRESSAVG: 1228600 0.978347 -1.63014 11.8358 -2.93397 -8.95775 2.55803 13.6712 2.93087 33.3167 TIMING: 1228600 CPU: 3662.29, 0.00299887/step Wall: 3662.29, 0.00299887/step, 3.14165 hours remaining, 207.851562 MB of memory in use. ENERGY: 1228600 767.7058 2112.8701 1937.8719 109.9273 -205995.9832 17345.5668 0.0000 0.0000 34528.6674 -149193.3740 301.5474 -183722.0413 -149088.4389 299.3167 -281.4479 -251.8852 557095.4179 8.4182 8.4458 PRESSURE: 1228800 -79.4688 -96.5785 202.549 -96.5779 37.9827 121.379 202.548 121.378 104.381 GPRESSURE: 1228800 -16.87 -125.519 122.935 -48.8298 68.0021 111.682 259.646 79.9712 114.521 PRESSAVG: 1228800 -10.2359 -49.9362 14.2084 -49.9362 47.2365 13.6475 14.2084 13.6475 -20.5636 GPRESSAVG: 1228800 -10.0949 -49.4529 13.4865 -49.4358 46.8083 11.6735 14.1401 15.4228 -20.15 TIMING: 1228800 CPU: 3662.88, 0.00298557/step Wall: 3662.88, 0.00298557/step, 3.12755 hours remaining, 207.851562 MB of memory in use. ENERGY: 1228800 699.8993 2082.8928 1941.3457 116.5329 -205960.2097 17704.5071 0.0000 0.0000 34238.4972 -149176.5346 299.0133 -183415.0318 -149083.4790 299.4179 20.9650 55.2178 557223.0860 5.4790 5.5211 PRESSURE: 1229000 -31.4451 -70.3706 -46.1054 -70.3709 -85.7608 115.877 -46.1052 115.876 -120.38 GPRESSURE: 1229000 -26.6816 -101.406 -93.7722 -70.5916 -92.3795 93.7029 -119.62 189.968 -18.1331 PRESSAVG: 1229000 -58.8123 -4.72645 27.3408 -4.72636 57.2854 24.8485 27.3407 24.8484 -5.23242 GPRESSAVG: 1229000 -58.8593 -5.71026 26.829 -5.81355 58.0337 24.9419 25.0367 25.2918 -6.42691 TIMING: 1229000 CPU: 3663.48, 0.00297024/step Wall: 3663.48, 0.00297024/step, 3.11133 hours remaining, 207.851562 MB of memory in use. ENERGY: 1229000 723.8271 2179.9035 1922.1796 113.0118 -205964.0030 17562.9022 0.0000 0.0000 34331.4672 -149130.7116 299.8252 -183462.1788 -149034.6944 299.1915 -79.1954 -45.7314 557917.4178 -2.2531 -2.4175 PRESSURE: 1229200 115.215 -17.942 57.195 -17.9414 432.864 19.3833 57.1952 19.3842 -129.029 GPRESSURE: 1229200 141.227 27.0598 9.45388 5.68138 419.507 -1.78336 88.3916 41.9456 -50.6014 PRESSAVG: 1229200 32.2523 1.4573 14.679 1.45733 -2.13261 -6.37063 14.679 -6.37058 -3.12858 GPRESSAVG: 1229200 31.3189 2.56509 16.5771 2.37267 -1.88603 -5.84742 16.2822 -7.32227 -2.24789 TIMING: 1229200 CPU: 3664.07, 0.00296458/step Wall: 3664.07, 0.00296458/step, 3.10524 hours remaining, 207.851562 MB of memory in use. ENERGY: 1229200 745.2855 2136.2957 1902.3011 127.8239 -206243.1538 17849.5542 0.0000 0.0000 34288.9588 -149192.9347 299.4540 -183481.8935 -149096.0082 298.9771 139.6832 170.0441 555953.8047 8.9971 9.0617 PRESSURE: 1229400 31.2405 197.77 -83.6776 197.769 68.3656 39.8046 -83.6777 39.8043 179.421 GPRESSURE: 1229400 53.0307 153.965 1.67034 203.878 116.807 13.1847 -66.6275 53.6965 223.187 PRESSAVG: 1229400 4.25103 77.7499 -33.4521 77.7499 -21.0919 46.5474 -33.4521 46.5474 -1.21496 GPRESSAVG: 1229400 5.16498 77.2085 -33.892 76.8155 -21.2355 48.0413 -31.6394 46.7272 -2.01118 TIMING: 1229400 CPU: 3664.66, 0.00294656/step Wall: 3664.66, 0.00294656/step, 3.0862 hours remaining, 207.851562 MB of memory in use. ENERGY: 1229400 742.9932 2100.1572 1913.0752 115.9340 -206353.4408 17746.6824 0.0000 0.0000 34430.0398 -149304.5590 300.6861 -183734.5988 -149206.9686 299.4294 93.0091 131.0082 555702.5638 -6.0186 -6.0272 PRESSURE: 1229600 -185.062 -192.913 30.5185 -192.912 136.255 36.0155 30.5193 36.0161 -214.962 GPRESSURE: 1229600 -180.133 -58.8707 61.1925 -250.46 191.351 62.8435 19.2073 51.8578 -173.194 PRESSAVG: 1229600 17.2209 -1.69448 10.2317 -1.69451 -31.8584 2.96869 10.2317 2.96868 20.5586 GPRESSAVG: 1229600 17.0112 -0.973521 10.0914 -2.45041 -30.8447 1.77108 9.56431 3.10349 20.48 TIMING: 1229600 CPU: 3665.25, 0.00296906/step Wall: 3665.25, 0.00296906/step, 3.1096 hours remaining, 207.851562 MB of memory in use. ENERGY: 1229600 766.7011 2062.5472 1929.8895 114.5655 -205912.7492 17677.0416 0.0000 0.0000 34097.0927 -149264.9117 297.7784 -183362.0043 -149165.2849 299.4757 -87.9233 -53.9919 556861.6707 1.9737 2.2155 PRESSURE: 1229800 -194.528 54.5394 30.2657 54.5387 -185.052 36.1168 30.2658 36.1151 217.104 GPRESSURE: 1229800 -148.365 67.9949 -58.1813 -3.11794 -153.5 81.8157 72.6851 -26.3111 253.018 PRESSAVG: 1229800 20.5892 -5.66143 -26.6186 -5.66144 15.883 51.6454 -26.6184 51.6456 -43.1888 GPRESSAVG: 1229800 20.7609 -5.11534 -26.1249 -5.21494 15.1056 52.1871 -26.9406 51.0667 -43.1341 TIMING: 1229800 CPU: 3665.85, 0.00296143/step Wall: 3665.85, 0.00296143/step, 3.10144 hours remaining, 207.851562 MB of memory in use. ENERGY: 1229800 739.4099 2035.4919 1927.8858 100.3403 -205935.9973 17620.8952 0.0000 0.0000 34134.5099 -149377.4643 298.1052 -183511.9742 -149282.4871 298.6125 -54.1585 -16.2826 556366.9223 -2.2389 -2.4226 PRESSURE: 1230000 -70.0373 -65.524 -59.8544 -65.5239 -187.366 60.2793 -59.8553 60.28 83.9862 GPRESSURE: 1230000 -10.9522 -12.0042 -9.698 -101.857 -135.457 61.1441 -113.338 60.2261 67.0528 PRESSAVG: 1230000 -15.3755 -25.4385 -26.3297 -25.4386 31.3787 30.7551 -26.3297 30.7553 16.9828 GPRESSAVG: 1230000 -16.1126 -27.4223 -26.9147 -23.9174 31.6937 29.5948 -26.0841 32.1753 17.711 TIMING: 1230000 CPU: 3666.44, 0.00295248/step Wall: 3666.44, 0.00295248/step, 3.0919 hours remaining, 207.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1230000 722.8471 2051.5413 1909.3054 104.8654 -206144.6115 17712.1665 0.0000 0.0000 34234.5385 -149409.3472 298.9787 -183643.8857 -149307.8747 298.7755 -57.8057 -26.4522 556810.0992 10.9953 11.0974 PRESSURE: 1230200 52.2779 -28.0925 -22.5771 -28.0926 51.7093 94.9604 -22.5765 94.9596 36.7053 GPRESSURE: 1230200 76.3897 18.2348 -99.769 -137.684 45.3276 65.6925 59.752 124.098 100.679 PRESSAVG: 1230200 16.2736 63.2346 -17.3428 63.2346 -13.0917 32.9062 -17.3428 32.9063 45.6335 GPRESSAVG: 1230200 16.2208 64.4033 -15.4451 62.9385 -13.2355 33.9135 -17.576 32.2558 45.6486 TIMING: 1230200 CPU: 3667.04, 0.0030041/step Wall: 3667.04, 0.0030041/step, 3.1458 hours remaining, 207.851562 MB of memory in use. ENERGY: 1230200 775.8626 2046.6133 1931.7917 113.4633 -206322.2074 17822.4724 0.0000 0.0000 34226.7658 -149405.2384 298.9109 -183632.0042 -149314.1073 298.4616 46.8975 74.1320 553941.6399 16.2718 16.2113 PRESSURE: 1230400 -61.0918 -41.7009 -50.8741 -41.7005 -138.633 5.99247 -50.8734 5.99328 -42.8168 GPRESSURE: 1230400 -47.6163 -1.53719 -149.292 -119.583 -86.5549 -36.0575 95.8395 29.0503 1.00905 PRESSAVG: 1230400 35.6155 34.7616 -13.0846 34.7618 -18.5636 24.1622 -13.0846 24.1623 -48.6458 GPRESSAVG: 1230400 36.713 35.0314 -15.8598 34.6298 -19.8359 23.8205 -10.1563 24.1062 -48.5425 TIMING: 1230400 CPU: 3667.63, 0.00298072/step Wall: 3667.63, 0.00298072/step, 3.12114 hours remaining, 207.851562 MB of memory in use. ENERGY: 1230400 749.1170 2092.6529 1926.7306 127.0024 -206113.0666 17683.8352 0.0000 0.0000 34004.0764 -149529.6520 296.9661 -183533.7284 -149436.5664 297.8835 -80.8473 -44.3874 556675.6252 -10.5313 -10.5551 PRESSURE: 1230600 -307.48 38.7491 -35.467 38.7481 96.5078 17.584 -35.4668 17.5851 160.446 GPRESSURE: 1230600 -258.129 68.9431 47.239 65.0105 112.005 -77.4066 -122.746 21.3942 188.93 PRESSAVG: 1230600 61.3148 -24.6471 -28.8642 -24.6471 -24.877 -45.2378 -28.8642 -45.2378 -44.8656 GPRESSAVG: 1230600 60.7295 -23.7998 -26.1145 -24.3254 -25.3289 -45.7848 -33.5065 -45.0365 -43.3459 TIMING: 1230600 CPU: 3668.23, 0.00297663/step Wall: 3668.23, 0.00297663/step, 3.1167 hours remaining, 207.851562 MB of memory in use. ENERGY: 1230600 753.6908 2023.6998 1869.9280 124.6371 -206514.0398 17912.3786 0.0000 0.0000 34370.5848 -149459.1207 300.1669 -183829.7055 -149362.7651 298.3925 -16.8421 14.2686 556572.2515 -2.8093 -2.6484 PRESSURE: 1230800 178.883 76.7944 253.077 76.7942 -348.089 54.1838 253.077 54.184 319.759 GPRESSURE: 1230800 196.48 31.2218 235.294 60.2369 -323.047 49.376 202.893 108.543 371.513 PRESSAVG: 1230800 -6.2866 -55.2686 8.70762 -55.2685 -16.1841 20.2314 8.70768 20.2315 54.4037 GPRESSAVG: 1230800 -7.05964 -56.6508 8.49139 -55.3893 -14.6383 21.4797 11.3134 21.1937 53.3725 TIMING: 1230800 CPU: 3668.83, 0.00298304/step Wall: 3668.83, 0.00298304/step, 3.12324 hours remaining, 207.851562 MB of memory in use. ENERGY: 1230800 760.7746 2145.4154 1891.7962 114.6305 -206609.4713 17977.9875 0.0000 0.0000 34228.7863 -149490.0806 298.9285 -183718.8669 -149393.7084 298.7870 50.1846 81.6488 555707.9899 10.6444 10.5582 PRESSURE: 1231000 -61.0842 -200.818 107.906 -200.819 -196.41 -67.459 107.906 -67.4585 52.3363 GPRESSURE: 1231000 1.22506 -169.647 176.198 -241.109 -157.153 -69.0405 170.215 -38.3719 51.7397 PRESSAVG: 1231000 -11.6451 -19.3325 91.7547 -19.3326 -58.6798 13.457 91.7547 13.457 49.8768 GPRESSAVG: 1231000 -10.9895 -19.1077 91.613 -18.5188 -58.6279 11.9609 89.0876 14.7859 48.8679 TIMING: 1231000 CPU: 3669.42, 0.002951/step Wall: 3669.42, 0.002951/step, 3.08953 hours remaining, 207.851562 MB of memory in use. ENERGY: 1231000 728.5247 2025.5977 1946.8362 106.9447 -206144.3138 17731.8755 0.0000 0.0000 34116.4694 -149488.0655 297.9476 -183604.5350 -149394.0271 298.0630 -68.3860 -34.7295 557493.2356 -6.8161 -6.9165 PRESSURE: 1231200 121.446 -18.1984 -179.742 -18.1987 88.5654 -111.511 -179.742 -111.511 163.446 GPRESSURE: 1231200 168.53 18.5162 -119.878 -36.1287 148.508 -149.991 -159.633 -87.3464 169.987 PRESSAVG: 1231200 10.9568 4.86427 45.347 4.86425 -7.68725 -45.8323 45.347 -45.8324 26.2483 GPRESSAVG: 1231200 12.0774 6.00314 44.3969 3.59966 -7.47704 -43.8169 48.1089 -48.6257 24.7833 TIMING: 1231200 CPU: 3670.01, 0.00298069/step Wall: 3670.01, 0.00298069/step, 3.12045 hours remaining, 207.851562 MB of memory in use. ENERGY: 1231200 723.6817 2054.8160 1880.3252 104.0435 -206730.7948 18072.7278 0.0000 0.0000 34207.8312 -149687.3694 298.7455 -183895.2006 -149589.5047 298.1220 124.4858 162.3418 557897.2513 9.8393 9.7946 PRESSURE: 1231400 -35.5999 8.28199 37.7885 8.28185 211.39 0.820749 37.7888 0.822583 -39.271 GPRESSURE: 1231400 17.8251 -17.1445 -66.6149 -83.6304 185.181 -76.3813 101.589 -10.2235 20.2974 PRESSAVG: 1231400 -13.3497 12.8341 1.57896 12.834 45.9517 48.421 1.57901 48.421 -33.1853 GPRESSAVG: 1231400 -14.8626 12.077 2.21239 12.4792 45.6394 46.1414 -0.781399 49.0478 -31.633 TIMING: 1231400 CPU: 3670.61, 0.00299148/step Wall: 3670.61, 0.00299148/step, 3.13158 hours remaining, 207.851562 MB of memory in use. ENERGY: 1231400 765.5811 2062.7840 1921.4212 110.7090 -206658.8807 17916.8429 0.0000 0.0000 34190.6859 -149690.8567 298.5958 -183881.5426 -149585.5570 298.6158 45.5063 74.4345 556220.5584 -0.1944 -0.2854 PRESSURE: 1231600 341.255 106.629 157.879 106.628 63.221 -100.564 157.881 -100.565 223.753 GPRESSURE: 1231600 375.524 40.3148 224.065 90.86 112.411 -99.9811 99.0706 -48.5868 253.89 PRESSAVG: 1231600 -53.0745 -28.1709 19.026 -28.171 70.9688 -31.8822 19.0259 -31.8821 -44.6991 GPRESSAVG: 1231600 -53.1728 -28.0266 19.7254 -29.3459 71.9676 -32.5288 21.964 -30.9957 -45.1244 TIMING: 1231600 CPU: 3671.21, 0.00301652/step Wall: 3671.21, 0.00301652/step, 3.15763 hours remaining, 207.851562 MB of memory in use. ENERGY: 1231600 722.4849 2076.6070 1923.2022 109.0765 -206881.6075 18170.5101 0.0000 0.0000 34248.2626 -149631.4644 299.0986 -183879.7270 -149530.9909 298.0752 209.4097 247.2753 555656.1462 -8.9349 -8.7765 PRESSURE: 1231800 -28.5737 -73.4325 -66.6039 -73.4313 -9.03736 -163.318 -66.6031 -163.319 69.6047 GPRESSURE: 1231800 -3.70787 -19.7048 -103.533 -78.6042 -36.7514 -106.167 -2.06027 -105.058 163.292 PRESSAVG: 1231800 21.5509 36.7759 44.8399 36.7759 -14.7065 -25.4404 44.8401 -25.4405 -0.741883 GPRESSAVG: 1231800 20.6881 37.1466 44.982 37.9843 -14.7451 -23.723 43.5191 -26.6346 -0.486408 TIMING: 1231800 CPU: 3671.82, 0.00301192/step Wall: 3671.82, 0.00301192/step, 3.15265 hours remaining, 207.851562 MB of memory in use. ENERGY: 1231800 754.5381 2068.0319 1903.2144 106.2980 -206646.4062 17971.0717 0.0000 0.0000 34140.1242 -149703.1279 298.1542 -183843.2521 -149600.9464 298.4951 10.6645 40.9442 557281.1352 2.0342 1.8188 PRESSURE: 1232000 61.6342 76.4324 -34.7491 76.4321 54.5776 66.8661 -34.7492 66.8644 -163.463 GPRESSURE: 1232000 88.4561 41.2971 -151.451 72.3453 60.605 125.691 63.4838 -46.2137 -113.38 PRESSAVG: 1232000 -43.3049 -49.6138 -50.2457 -49.6137 49.8112 -54.6956 -50.2457 -54.6955 16.1319 GPRESSAVG: 1232000 -41.2433 -49.2754 -53.2137 -48.6966 48.593 -55.9989 -47.8837 -53.5793 15.3377 TIMING: 1232000 CPU: 3672.42, 0.00301826/step Wall: 3672.42, 0.00301826/step, 3.15912 hours remaining, 207.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1232000 735.7821 2059.3203 1916.2769 104.5150 -206824.4267 18090.3231 0.0000 0.0000 34307.3314 -149610.8780 299.6145 -183918.2094 -149518.7558 298.5956 -15.7504 11.8937 556910.4775 7.5461 7.5625 PRESSURE: 1232200 51.8339 -37.7788 -22.9646 -37.778 32.004 -56.0912 -22.9649 -56.0916 -155.472 GPRESSURE: 1232200 81.169 -27.3245 -42.7546 0.241465 47.4537 -65.5027 19.7971 -99.7265 -103.416 PRESSAVG: 1232200 3.77764 0.390515 -23.2598 0.390522 40.2737 -38.968 -23.2598 -38.968 -43.1807 GPRESSAVG: 1232200 4.27378 0.744274 -21.0363 -1.083 40.2574 -38.2787 -26.2356 -37.738 -43.4738 TIMING: 1232200 CPU: 3673.02, 0.00299984/step Wall: 3673.02, 0.00299984/step, 3.13966 hours remaining, 207.851562 MB of memory in use. ENERGY: 1232200 768.6413 2068.0944 1910.2725 102.5731 -206572.5187 17890.0354 0.0000 0.0000 34172.9780 -149659.9239 298.4411 -183832.9019 -149558.8861 298.5464 -23.8780 8.4022 557732.6320 0.2902 0.3525 LDB: ============= START OF LOAD BALANCING ============== 3676.57 LDB: ============== END OF LOAD BALANCING =============== 3676.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3676.57 LDB: ============= START OF LOAD BALANCING ============== 3676.87 LDB: Largest compute 4773 load 0.027825 is 23.6% of average load 0.118114 LDB: Average compute 0.001719 is 1.5% of average load 0.118114 LDB: TIME 3676.88 LOAD: AVG 0.118114 MAX 0.210585 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.77 MB LDB: TIME 3676.88 LOAD: AVG 0.118114 MAX 0.210585 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.77 MB LDB: TIME 3676.88 LOAD: AVG 0.118114 MAX 0.210585 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3676.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3676.88 PRESSURE: 1232400 180.021 -27.3073 -2.90036 -27.3083 -114.586 81.404 -2.9017 81.4063 97.8872 GPRESSURE: 1232400 204.775 -75.0539 -2.42668 -42.0929 -53.9616 70.1216 -47.5692 42.7444 121.372 PRESSAVG: 1232400 53.6404 -22.698 -7.34448 -22.6981 -30.6109 -11.253 -7.34464 -11.2529 -41.4417 GPRESSAVG: 1232400 52.3982 -22.7832 -5.14023 -22.1847 -30.091 -10.045 -9.24426 -13.3365 -40.596 TIMING: 1232400 CPU: 3673.63, 0.00306888/step Wall: 3673.63, 0.00306888/step, 3.21176 hours remaining, 207.023438 MB of memory in use. ENERGY: 1232400 722.4809 2094.1491 1907.2004 117.8120 -206523.0287 17920.9799 0.0000 0.0000 34121.2435 -149639.1628 297.9893 -183760.4063 -149542.4893 297.8351 54.4406 90.7287 557258.0088 -6.1374 -6.0962 PRESSURE: 1232600 -118.775 -26.8505 -3.32871 -26.8492 34.6877 39.5909 -3.3295 39.5893 -83.0765 GPRESSURE: 1232600 -125.968 -56.1094 -47.8388 -38.5612 101.909 -61.9681 5.19915 99.4715 -44.0062 PRESSAVG: 1232600 -11.683 -29.0401 -7.71034 -29.0402 -12.7712 22.7822 -7.71032 22.7821 -4.27973 GPRESSAVG: 1232600 -12.1936 -31.2571 -9.82509 -28.5482 -12.7433 22.0255 -4.65218 22.2478 -3.42536 TIMING: 1232600 CPU: 3674.23, 0.0029863/step Wall: 3674.23, 0.0029863/step, 3.12517 hours remaining, 207.023438 MB of memory in use. ENERGY: 1232600 741.7526 2124.1974 1892.3728 99.7385 -206457.7267 17806.1487 0.0000 0.0000 34310.7097 -149482.8069 299.6440 -183793.5166 -149391.4408 298.3963 -55.7212 -22.6885 557145.9079 -9.5780 -9.4541 PRESSURE: 1232800 16.666 -260.698 53.987 -260.697 -47.0347 -100.08 53.9867 -100.082 -139.768 GPRESSURE: 1232800 54.7034 -268.869 50.7207 -215.749 -28.7504 -96.3014 84.8513 -88.7432 -109.608 PRESSAVG: 1232800 7.88949 -33.6859 -59.9472 -33.6858 42.5605 35.0151 -59.9472 35.0152 -57.0721 GPRESSAVG: 1232800 8.91816 -34.8652 -61.2789 -33.2372 42.0177 37.5683 -60.128 33.0366 -57.5593 TIMING: 1232800 CPU: 3674.83, 0.00299063/step Wall: 3674.83, 0.00299063/step, 3.12953 hours remaining, 207.023438 MB of memory in use. ENERGY: 1232800 720.8806 2080.0630 1922.6805 101.9630 -206449.4013 17886.9250 0.0000 0.0000 34122.0467 -149614.8425 297.9963 -183736.8891 -149526.5651 298.4482 -56.7123 -27.8850 558057.0147 -2.2074 -2.2078 PRESSURE: 1233000 -141.982 80.2576 37.2123 80.2577 151.68 -101.461 37.2127 -101.46 -159.512 GPRESSURE: 1233000 -181.142 75.2102 28.0027 63.5916 174.467 -3.19379 -9.39621 50.0997 -42.9912 PRESSAVG: 1233000 -24.8157 -18.0895 -31.7198 -18.0895 41.3863 -46.7507 -31.7198 -46.7507 15.6896 GPRESSAVG: 1233000 -24.9923 -14.0687 -30.6125 -20.6546 41.4415 -48.68 -30.3597 -43.6168 15.5929 TIMING: 1233000 CPU: 3675.43, 0.00298559/step Wall: 3675.43, 0.00298559/step, 3.12409 hours remaining, 207.023438 MB of memory in use. ENERGY: 1233000 772.6670 2029.1470 1937.4642 120.5061 -206465.7921 17925.1228 0.0000 0.0000 34000.7471 -149680.1379 296.9370 -183680.8850 -149586.4295 298.1723 -49.9380 -16.5555 556060.8166 10.7534 10.6807 PRESSURE: 1233200 224.584 -46.4289 82.1031 -46.4298 125.746 -26.9175 82.1038 -26.9163 18.445 GPRESSURE: 1233200 235.902 -76.5679 87.6993 10.6833 164.455 37.5517 34.9318 -2.39578 58.2017 PRESSAVG: 1233200 -42.7272 -18.6611 -24.5877 -18.6612 14.4551 -69.4592 -24.5877 -69.4592 12.546 GPRESSAVG: 1233200 -42.7541 -20.8435 -25.6971 -17.5938 14.7799 -68.2211 -26.2692 -69.6314 12.7943 TIMING: 1233200 CPU: 3676.02, 0.00299085/step Wall: 3676.02, 0.00299085/step, 3.12943 hours remaining, 207.023438 MB of memory in use. ENERGY: 1233200 714.2266 2089.3629 1927.6506 120.0634 -206248.5659 17987.5375 0.0000 0.0000 33941.1725 -149468.5525 296.4167 -183409.7250 -149383.6713 298.0837 122.9249 152.8526 557254.4669 -5.2420 -5.0600 PRESSURE: 1233400 139.052 18.7096 304.389 18.7095 330.243 132.134 304.39 132.132 426.151 GPRESSURE: 1233400 213.669 36.0206 414.041 -22.867 325.547 159.942 191.718 170.021 467.807 PRESSAVG: 1233400 -1.2537 -21.058 56.1546 -21.0579 65.525 10.0572 56.1546 10.0572 -30.4668 GPRESSAVG: 1233400 -0.882104 -19.6338 56.6907 -22.5815 66.7863 9.32455 56.1456 10.2111 -32.0228 TIMING: 1233400 CPU: 3676.62, 0.00298835/step Wall: 3676.62, 0.00298835/step, 3.12665 hours remaining, 207.023438 MB of memory in use. ENERGY: 1233400 763.3136 2083.1711 1920.4741 121.1208 -206756.8437 18296.3677 0.0000 0.0000 34174.5511 -149397.8454 298.4549 -183572.3965 -149301.3496 299.0767 298.4819 335.6743 555778.9061 11.2682 11.2938 PRESSURE: 1233600 16.81 179.73 77.8536 179.728 -234.046 -98.4775 77.8543 -98.4777 17.8964 GPRESSURE: 1233600 18.861 227.623 56.3338 110.77 -225.417 -104.814 121.651 7.05444 102.423 PRESSAVG: 1233600 3.33239 30.8115 23.9796 30.8115 57.4418 9.89356 23.9795 9.8936 -36.7062 GPRESSAVG: 1233600 3.25215 28.0612 24.7706 31.54 56.9041 8.02599 24.2314 11.0579 -36.2555 TIMING: 1233600 CPU: 3677.23, 0.00301851/step Wall: 3677.23, 0.00301851/step, 3.15804 hours remaining, 207.023438 MB of memory in use. ENERGY: 1233600 732.7440 2113.6893 1897.3380 104.3167 -206316.1256 17760.5132 0.0000 0.0000 34506.0660 -149201.4584 301.3501 -183707.5244 -149111.3139 299.2296 -66.4465 -34.7109 557748.8802 8.0226 7.9669 PRESSURE: 1233800 -69.8759 -19.4282 -156.927 -19.4279 -179.735 -83.2803 -156.928 -83.2825 -155.696 GPRESSURE: 1233800 3.89418 -46.7822 -102.082 -19.1608 -153.361 -118.506 -131.163 -52.4652 -158.39 PRESSAVG: 1233800 72.4752 22.1804 10.2116 22.1804 -24.8717 18.2104 10.2116 18.2104 -30.8993 GPRESSAVG: 1233800 73.3706 25.0986 11.2732 22.3278 -25.9157 17.8897 8.29761 17.2077 -31.3006 TIMING: 1233800 CPU: 3677.82, 0.00299678/step Wall: 3677.82, 0.00299678/step, 3.13513 hours remaining, 207.023438 MB of memory in use. ENERGY: 1233800 757.1432 2129.2919 1898.7068 100.4917 -206082.4665 17722.5108 0.0000 0.0000 34371.0325 -149103.2897 300.1708 -183474.3222 -149008.2291 299.7698 -135.1021 -102.6189 558267.9199 5.5681 5.3848 PRESSURE: 1234000 -79.1581 -173.543 67.8725 -173.544 -182.489 54.1913 67.8718 54.1886 -112.871 GPRESSURE: 1234000 -73.3195 -193.68 62.7783 -145.408 -148.579 -8.27433 32.0939 51.4837 -56.689 PRESSAVG: 1234000 50.6181 -26.1345 -67.4827 -26.1344 17.7303 15.7137 -67.4827 15.7137 -85.8347 GPRESSAVG: 1234000 50.4453 -26.6817 -68.0677 -26.0381 17.1874 16.3178 -66.3295 17.3403 -85.2796 TIMING: 1234000 CPU: 3678.42, 0.00299271/step Wall: 3678.42, 0.00299271/step, 3.13071 hours remaining, 207.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1234000 717.5923 2113.6831 1925.2355 112.8107 -205535.2241 17322.3983 0.0000 0.0000 34341.8857 -149001.6184 299.9162 -183343.5042 -148905.5135 300.3672 -124.8391 -92.8626 557206.3758 -5.8288 -5.8823 PRESSURE: 1234200 -185.527 138.422 -68.2578 138.422 239.6 -10.2153 -68.2563 -10.2175 -269.08 GPRESSURE: 1234200 -102.971 171.927 -0.784389 143.159 215.087 -3.79728 -31.0456 13.5414 -233.632 PRESSAVG: 1234200 -12.7164 24.3221 -14.1228 24.3222 24.538 -28.8952 -14.1228 -28.8952 -34.776 GPRESSAVG: 1234200 -12.6312 23.3694 -14.5914 24.2274 24.5784 -27.3902 -12.7891 -31.3596 -35.1284 TIMING: 1234200 CPU: 3679.02, 0.00297764/step Wall: 3679.02, 0.00297764/step, 3.11478 hours remaining, 207.023438 MB of memory in use. ENERGY: 1234200 780.8964 2087.8159 1904.4931 111.0762 -206236.6976 17716.8775 0.0000 0.0000 34534.4338 -149101.1047 301.5978 -183635.5385 -149008.7032 300.4020 -71.6690 -40.5055 557190.6302 -7.6515 -7.7271 PRESSURE: 1234400 250.812 12.143 -83.0813 12.1435 158.534 17.3179 -83.0803 17.3192 -90.0839 GPRESSURE: 1234400 277.693 22.8966 -88.0722 0.185293 173.36 8.93157 -131.491 41.7663 -33.1357 PRESSAVG: 1234400 38.4737 -44.8863 -37.811 -44.8863 -26.2085 24.8805 -37.8109 24.8805 1.69476 GPRESSAVG: 1234400 37.8869 -45.8224 -38.4036 -42.2826 -26.8984 24.7115 -39.4109 25.9936 3.35006 TIMING: 1234400 CPU: 3679.61, 0.00297227/step Wall: 3679.61, 0.00297227/step, 3.10899 hours remaining, 207.023438 MB of memory in use. ENERGY: 1234400 735.1393 2081.3310 1911.4950 115.3975 -206336.0245 17815.7651 0.0000 0.0000 34348.9732 -149327.9234 299.9781 -183676.8967 -149231.2953 299.5922 106.4206 139.3059 557298.3006 4.6533 4.7795 PRESSURE: 1234600 -224.056 -109.024 17.9833 -109.023 -267.18 50.828 17.9827 50.8294 -94.7825 GPRESSURE: 1234600 -171.059 -96.1835 65.7257 -124.552 -270 67.1943 14.5375 -37.5666 -46.4619 PRESSAVG: 1234600 -12.0469 -0.806329 21.7147 -0.806238 7.36479 -33.5328 21.7148 -33.5328 -21.2351 GPRESSAVG: 1234600 -10.7198 -0.736953 19.0986 -1.78758 8.72736 -35.4837 23.8425 -32.7875 -23.3527 TIMING: 1234600 CPU: 3680.21, 0.00297602/step Wall: 3680.21, 0.00297602/step, 3.11275 hours remaining, 207.023438 MB of memory in use. ENERGY: 1234600 760.7010 2116.8503 1917.4708 112.3289 -206220.4142 17663.6083 0.0000 0.0000 34260.4417 -149389.0133 299.2050 -183649.4550 -149295.6910 299.1836 -195.3394 -162.5071 558120.1600 -8.6391 -8.4484 PRESSURE: 1234800 -119.584 -67.0528 -134.034 -67.0539 56.599 -21.4782 -134.035 -21.4778 -211.332 GPRESSURE: 1234800 -138.426 -116.313 -194.464 -116.465 72.6619 -14.8051 -78.5931 -20.0178 -113.06 PRESSAVG: 1234800 6.14368 -11.862 24.067 -11.862 2.54737 33.3156 24.067 33.3156 9.25976 GPRESSAVG: 1234800 5.64303 -11.7768 26.9377 -11.5539 1.54013 35.4312 23.1573 33.9643 10.7508 TIMING: 1234800 CPU: 3680.8, 0.00295932/step Wall: 3680.8, 0.00295932/step, 3.09512 hours remaining, 207.023438 MB of memory in use. ENERGY: 1234800 750.9965 2109.6795 1924.1084 110.5011 -206622.7478 17866.9574 0.0000 0.0000 34472.7304 -149387.7745 301.0589 -183860.5050 -149293.8814 299.8149 -91.4391 -59.6082 557366.6726 5.9836 5.9780 PRESSURE: 1235000 -304.689 173.071 125.399 173.073 -29.27 61.1579 125.398 61.1578 -121.587 GPRESSURE: 1235000 -256.821 129.151 67.6892 190.97 -24.5801 38.3233 126.375 98.2628 -90.3105 PRESSAVG: 1235000 46.9439 116.595 -15.7854 116.596 42.6749 32.1941 -15.7854 32.194 -77.4016 GPRESSAVG: 1235000 47.3529 117.736 -15.6305 114.621 43.459 30.6653 -16.3677 30.5788 -79.1948 TIMING: 1235000 CPU: 3681.4, 0.00299124/step Wall: 3681.4, 0.00299124/step, 3.12834 hours remaining, 207.023438 MB of memory in use. ENERGY: 1235000 785.3364 2062.3184 1932.0975 120.6578 -206117.1817 17698.1728 0.0000 0.0000 34100.5407 -149418.0580 297.8085 -183518.5987 -149321.6144 299.2527 -151.8486 -123.9037 557699.1518 4.0724 3.8724 PRESSURE: 1235200 -154.235 0.558566 29.8956 0.558105 -226.401 201.964 29.8942 201.965 -207.112 GPRESSURE: 1235200 -186.618 89.8339 40.3496 -59.0356 -173.262 196.102 -8.32649 136.744 -121.556 PRESSAVG: 1235200 22.5805 27.4385 -23.899 27.4384 -10.1698 -11.655 -23.8991 -11.6551 -34.495 GPRESSAVG: 1235200 21.497 26.6567 -22.6862 28.2259 -9.68363 -11.0696 -23.2352 -12.1258 -33.2208 TIMING: 1235200 CPU: 3682, 0.00299095/step Wall: 3682, 0.00299095/step, 3.12787 hours remaining, 207.023438 MB of memory in use. ENERGY: 1235200 768.7075 2058.1078 1913.9543 114.7436 -205968.5101 17603.5506 0.0000 0.0000 34299.7143 -149209.7321 299.5479 -183509.4464 -149114.9767 299.1719 -195.9160 -160.4786 557701.1455 -7.3614 -7.1358 PRESSURE: 1235400 23.9323 5.35864 -7.18715 5.35941 -28.4218 -62.9184 -7.18743 -62.9189 197.119 GPRESSURE: 1235400 125.408 -92.5044 -11.4792 28.4252 11.7986 -93.3551 24.8019 -80.4399 144.799 PRESSAVG: 1235400 7.68337 -37.3934 -22.0514 -37.3934 -21.6821 7.79343 -22.0514 7.79346 2.00544 GPRESSAVG: 1235400 8.84603 -36.2895 -24.1147 -37.7588 -22.9712 6.48346 -21.6025 8.97113 1.9486 TIMING: 1235400 CPU: 3682.59, 0.00298603/step Wall: 3682.59, 0.00298603/step, 3.12256 hours remaining, 207.023438 MB of memory in use. ENERGY: 1235400 684.2195 2042.8062 1888.7631 110.2756 -206154.6124 17832.8562 0.0000 0.0000 34305.6795 -149290.0122 299.6000 -183595.6917 -149191.3591 298.6482 64.2099 94.0018 557420.0220 -3.9978 -4.0588 PRESSURE: 1235600 85.1938 -0.600491 -165.211 -0.601047 -54.1666 -214.438 -165.21 -214.438 -54.0503 GPRESSURE: 1235600 124.677 40.6502 -140.744 -95.8766 -1.74697 -183.722 -180.868 -216.744 -57.5077 PRESSAVG: 1235600 15.6121 -71.195 -25.9194 -71.195 50.5039 -27.9039 -25.9194 -27.904 -47.6297 GPRESSAVG: 1235600 14.8154 -71.2046 -25.6919 -69.8772 50.7868 -27.6007 -25.8772 -27.9068 -47.3331 TIMING: 1235600 CPU: 3683.19, 0.00297475/step Wall: 3683.19, 0.00297475/step, 3.11059 hours remaining, 207.023438 MB of memory in use. ENERGY: 1235600 733.9609 2060.8330 1907.5070 112.0179 -205992.1110 17779.2471 0.0000 0.0000 34219.6342 -149178.9110 298.8486 -183398.5451 -149079.4410 299.3749 -7.6744 21.8076 557330.3476 6.1621 6.0897 PRESSURE: 1235800 -6.29989 -23.7327 281.874 -23.7297 -219.014 67.5766 281.874 67.5771 45.8331 GPRESSURE: 1235800 11.537 -19.5401 201.178 -48.7013 -185.859 72.0178 305.257 67.9337 89.3565 PRESSAVG: 1235800 -38.6198 14.791 28.2365 14.791 -11.8323 -19.9063 28.2365 -19.9063 19.1047 GPRESSAVG: 1235800 -37.8479 13.1744 27.7857 16.1685 -12.4415 -18.5604 27.6411 -22.1733 18.8974 TIMING: 1235800 CPU: 3683.78, 0.00295115/step Wall: 3683.78, 0.00295115/step, 3.08576 hours remaining, 207.023438 MB of memory in use. ENERGY: 1235800 709.7255 2101.8572 1905.8305 111.8731 -205507.5320 17502.7528 0.0000 0.0000 34229.3045 -148946.1885 298.9330 -183175.4930 -148846.4455 299.5514 -59.8270 -28.3218 558026.5003 -10.4491 -10.4640 PRESSURE: 1236000 14.088 80.9112 -148.751 80.9111 -69.4088 18.6734 -148.75 18.6747 -478.277 GPRESSURE: 1236000 -35.3557 45.282 -228.569 96.563 11.9132 3.23869 -132.969 -6.14045 -414.917 PRESSAVG: 1236000 -48.366 79.483 -20.249 79.4829 41.6902 5.37516 -20.2489 5.37518 49.5719 GPRESSAVG: 1236000 -48.8882 79.1922 -18.2253 77.7834 43.0368 6.28379 -20.5486 6.97052 48.8657 TIMING: 1236000 CPU: 3684.37, 0.00296545/step Wall: 3684.37, 0.00296545/step, 3.10054 hours remaining, 207.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1236000 744.9514 2087.5848 1923.3683 129.1771 -205620.3325 17472.9173 0.0000 0.0000 34289.1049 -148973.2287 299.4553 -183262.3336 -148883.1149 299.9540 -177.8658 -146.1199 557399.6699 14.2987 14.3381 PRESSURE: 1236200 162.703 -3.99127 72.7688 -3.99103 -19.6828 -75.1636 72.7688 -75.1625 257.169 GPRESSURE: 1236200 212.065 58.3598 61.4768 17.6554 13.9875 -21.0971 148.85 -56.2565 283.453 PRESSAVG: 1236200 -28.7755 12.3579 -48.0439 12.358 -33.1735 21.062 -48.0439 21.0621 24.6978 GPRESSAVG: 1236200 -28.2247 13.0351 -48.1011 13.4227 -32.5301 18.9242 -49.4526 20.619 23.4833 TIMING: 1236200 CPU: 3684.96, 0.00296105/step Wall: 3684.96, 0.00296105/step, 3.09578 hours remaining, 207.023438 MB of memory in use. ENERGY: 1236200 713.8791 2044.0744 1922.7697 108.6211 -206112.3691 17840.0721 0.0000 0.0000 34458.5445 -149024.4082 300.9350 -183482.9527 -148925.7392 300.1813 133.3964 169.8354 555070.6030 -12.4171 -12.4238 LDB: ============= START OF LOAD BALANCING ============== 3688.51 LDB: ============== END OF LOAD BALANCING =============== 3688.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3688.51 LDB: ============= START OF LOAD BALANCING ============== 3688.81 LDB: Largest compute 4773 load 0.027608 is 23.4% of average load 0.118218 LDB: Average compute 0.001713 is 1.4% of average load 0.118218 LDB: TIME 3688.81 LOAD: AVG 0.118218 MAX 0.209205 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.023 MB LDB: TIME 3688.81 LOAD: AVG 0.118218 MAX 0.209205 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.027 MB LDB: TIME 3688.81 LOAD: AVG 0.118218 MAX 0.209205 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.027 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3688.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3688.82 PRESSURE: 1236400 -117.699 -18.5331 2.22867 -18.5328 -199.497 30.9525 2.22762 30.9521 -52.9305 GPRESSURE: 1236400 -122.823 -41.4181 -33.3387 -27.0765 -121.907 5.2578 3.64817 25.5123 -14.805 PRESSAVG: 1236400 -40.0747 64.302 25.1738 64.302 -23.9229 13.626 25.1739 13.626 32.4849 GPRESSAVG: 1236400 -39.9138 64.9376 23.8585 62.7694 -25.4732 14.34 26.3279 13.6852 33.2771 TIMING: 1236400 CPU: 3685.57, 0.00302886/step Wall: 3685.57, 0.00302886/step, 3.16651 hours remaining, 207.476562 MB of memory in use. ENERGY: 1236400 771.9422 1997.0969 1933.0876 114.5754 -205790.9492 17521.4995 0.0000 0.0000 34325.7433 -149127.0042 299.7753 -183452.7475 -149027.8425 299.8987 -123.3753 -86.5116 555755.3541 -10.5042 -10.7033 PRESSURE: 1236600 -90.5425 22.7609 12.9224 22.7604 -298.262 -106.159 12.9207 -106.159 -195.532 GPRESSURE: 1236600 -76.8762 72.8381 13.7597 -82.3079 -255.69 -53.3719 -72.5383 -145.352 -154.103 PRESSAVG: 1236600 -1.88326 -7.96952 64.9337 -7.96951 23.7233 -25.7202 64.9337 -25.7201 -37.9998 GPRESSAVG: 1236600 -2.67073 -7.67034 63.9798 -7.3323 24.0805 -24.546 66.1478 -25.9628 -37.9135 TIMING: 1236600 CPU: 3686.17, 0.00300062/step Wall: 3686.17, 0.00300062/step, 3.13681 hours remaining, 207.476562 MB of memory in use. ENERGY: 1236600 758.5940 2087.7260 1930.7901 112.7735 -205842.9929 17457.9177 0.0000 0.0000 34281.6403 -149213.5513 299.3901 -183495.1916 -149125.5518 299.9367 -194.7787 -162.2230 557778.3372 -5.3866 -5.5013 PRESSURE: 1236800 134.88 118.291 216.291 118.292 -214.388 -104.082 216.291 -104.084 102.525 GPRESSURE: 1236800 182.137 105.337 149.044 180.855 -120.377 -38.9445 251.531 -62.0458 47.1086 PRESSAVG: 1236800 -49.9688 -78.7762 -16.6623 -78.7761 16.3066 -22.1264 -16.6622 -22.1265 -5.55199 GPRESSAVG: 1236800 -50.4857 -80.1573 -15.5098 -76.7317 16.917 -22.9355 -17.5055 -22.1926 -5.63349 TIMING: 1236800 CPU: 3686.77, 0.0030196/step Wall: 3686.77, 0.0030196/step, 3.15648 hours remaining, 207.476562 MB of memory in use. ENERGY: 1236800 715.5232 2082.9286 1910.3628 117.3016 -206061.1623 17583.0628 0.0000 0.0000 34420.9131 -149231.0701 300.6064 -183651.9832 -149130.1223 299.5086 7.6727 36.2896 556207.8960 -13.0714 -13.0674 PRESSURE: 1237000 185.278 -0.172038 -162.386 -0.172868 31.2631 111.114 -162.386 111.116 190.94 GPRESSURE: 1237000 229.009 98.3739 -227.648 -86.771 43.6757 133.169 -102.185 58.0405 229.42 PRESSAVG: 1237000 -35.8796 12.0203 -16.1738 12.0204 27.5448 -27.472 -16.1739 -27.472 -37.0639 GPRESSAVG: 1237000 -35.7211 13.395 -16.8225 10.3324 26.8329 -27.2056 -14.2825 -26.4988 -36.9197 TIMING: 1237000 CPU: 3687.37, 0.00299899/step Wall: 3687.37, 0.00299899/step, 3.13478 hours remaining, 207.476562 MB of memory in use. ENERGY: 1237000 727.2452 2034.3453 1919.4596 97.6523 -206167.3468 17986.5764 0.0000 0.0000 34183.8263 -149218.2416 298.5359 -183402.0679 -149121.2485 299.4982 135.8270 167.3684 557193.6731 -15.1329 -15.2693 PRESSURE: 1237200 -2.50524 28.1471 105.514 28.1476 132.644 -6.5022 105.515 -6.50302 263.4 GPRESSURE: 1237200 42.0695 71.6004 109.822 40.3886 127.707 30.5653 114.132 -27.0822 327.859 PRESSAVG: 1237200 40.0198 -37.1699 -43.5504 -37.1698 -30.2853 33.5669 -43.5504 33.5668 16.121 GPRESSAVG: 1237200 41.1188 -37.6482 -43.6118 -38.205 -31.4602 33.6458 -44.5028 34.1531 16.6856 TIMING: 1237200 CPU: 3687.97, 0.0029967/step Wall: 3687.97, 0.0029967/step, 3.13222 hours remaining, 207.476562 MB of memory in use. ENERGY: 1237200 732.4875 2108.5952 1918.1375 111.3649 -206189.6891 17970.2102 0.0000 0.0000 34167.5363 -149181.3574 298.3936 -183348.8937 -149082.0644 298.6170 131.1794 165.8782 557409.7367 8.6185 8.7814 PRESSURE: 1237400 -117.216 83.3887 -6.7651 83.3893 81.5852 52.1071 -6.76567 52.1073 74.3516 GPRESSURE: 1237400 -106.818 55.9015 -30.43 114.791 115.14 67.6355 64.5705 31.4201 111.272 PRESSAVG: 1237400 -19.7256 55.5304 -88.92 55.5304 -10.1504 -0.227445 -88.9199 -0.22745 27.4975 GPRESSAVG: 1237400 -21.4476 56.6858 -87.5728 55.6978 -8.98093 0.0224854 -88.1518 -3.92423 27.8986 TIMING: 1237400 CPU: 3688.57, 0.00298003/step Wall: 3688.57, 0.00298003/step, 3.11463 hours remaining, 207.542969 MB of memory in use. ENERGY: 1237400 728.1943 2045.3274 1918.1192 116.1465 -206239.9748 17938.3941 0.0000 0.0000 34465.8417 -149027.9516 300.9988 -183493.7933 -148933.5189 299.5446 12.9069 39.8647 557097.6366 -0.7929 -0.8433 PRESSURE: 1237600 177.715 -233.685 25.2814 -233.684 28.184 -66.8982 25.281 -66.898 79.6854 GPRESSURE: 1237600 185.819 -188.019 -61.404 -92.3269 77.9885 -61.747 47.3969 -128.274 110.655 PRESSAVG: 1237600 20.3036 -3.46371 -38.0611 -3.46365 -39.0755 34.4087 -38.0612 34.4087 16.0314 GPRESSAVG: 1237600 21.0421 -4.57676 -36.5716 -3.78265 -39.2473 33.5389 -40.1953 36.7415 15.2637 TIMING: 1237600 CPU: 3689.17, 0.003017/step Wall: 3689.17, 0.003017/step, 3.1531 hours remaining, 207.542969 MB of memory in use. ENERGY: 1237600 730.9756 2083.6551 1929.2344 113.1976 -206473.4436 18144.7769 0.0000 0.0000 34267.6646 -149203.9395 299.2680 -183471.6040 -149106.5302 299.1496 95.1947 124.8209 559631.2827 -0.9135 -0.9805 PRESSURE: 1237800 165.886 199.043 -33.9091 199.044 -8.02367 -182.635 -33.9096 -182.634 284.181 GPRESSURE: 1237800 165.996 157.855 -54.4932 255.16 28.9547 -212.917 35.7935 -158.642 330.922 PRESSAVG: 1237800 71.6759 -7.06733 -18.2666 -7.06725 -4.2822 -27.0295 -18.2665 -27.0296 -13.9681 GPRESSAVG: 1237800 71.3462 -7.3044 -18.3686 -6.9314 -3.86796 -29.1174 -17.3449 -25.9685 -14.7304 TIMING: 1237800 CPU: 3689.78, 0.0030154/step Wall: 3689.78, 0.0030154/step, 3.15126 hours remaining, 207.542969 MB of memory in use. ENERGY: 1237800 713.0088 2050.0405 1929.3941 106.5980 -206505.3259 18046.9812 0.0000 0.0000 34320.4591 -149338.8441 299.7291 -183659.3032 -149251.2740 298.8759 147.3477 175.2911 557138.5598 17.8086 17.5826 PRESSURE: 1238000 235.346 -0.000564635 11.3445 -0.00102187 244.791 -60.822 11.3446 -60.8212 296.118 GPRESSURE: 1238000 262.75 -24.7028 -52.154 28.7705 241.605 -82.8431 -21.605 -99.4162 365.299 PRESSAVG: 1238000 44.8065 -50.0825 -38.4762 -50.0824 -15.0434 31.1545 -38.4761 31.1544 -1.64648 GPRESSAVG: 1238000 43.8315 -50.8297 -41.4927 -50.1778 -15.2814 34.0991 -36.9047 29.6739 -0.182305 TIMING: 1238000 CPU: 3690.37, 0.00298104/step Wall: 3690.37, 0.00298104/step, 3.11519 hours remaining, 207.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1238000 724.9052 2095.1481 1908.6532 111.5715 -206027.3205 18007.1427 0.0000 0.0000 34006.8337 -149173.0661 296.9901 -183179.8998 -149080.0748 298.9652 258.7518 289.8847 556576.0396 9.3722 9.4559 PRESSURE: 1238200 124.361 75.5831 -96.6214 75.5838 -4.34799 -6.23139 -96.6223 -6.2307 112.481 GPRESSURE: 1238200 145.937 95.2463 -44.9241 -20.1605 53.8531 -59.0367 -157.707 33.963 134.808 PRESSAVG: 1238200 41.4563 4.65519 9.16409 4.65529 -15.2303 41.2184 9.16402 41.2185 -8.08397 GPRESSAVG: 1238200 41.9595 6.89724 10.7863 4.62404 -15.1781 39.8016 6.61974 40.0167 -8.38912 TIMING: 1238200 CPU: 3690.97, 0.0029807/step Wall: 3690.97, 0.0029807/step, 3.11466 hours remaining, 207.542969 MB of memory in use. ENERGY: 1238200 751.3351 2047.9778 1929.9843 123.1099 -206308.6044 17908.0027 0.0000 0.0000 34349.9786 -149198.2161 299.9869 -183548.1947 -149102.8244 299.2977 77.4982 111.5329 555927.6603 6.0473 6.1308 PRESSURE: 1238400 -92.3791 78.0658 -1.63918 78.0656 -262.864 -134.876 -1.63884 -134.875 12.3426 GPRESSURE: 1238400 -113.014 99.8899 -71.4289 -20.9585 -168.127 -115.255 31.5024 -100.299 45.9026 PRESSAVG: 1238400 4.16588 -20.1535 -4.75791 -20.1535 4.83044 26.0938 -4.75784 26.0938 14.9894 GPRESSAVG: 1238400 4.02907 -22.2556 -4.32534 -19.0083 5.47354 27.041 -3.25589 29.0607 14.2226 TIMING: 1238400 CPU: 3691.57, 0.00299511/step Wall: 3691.57, 0.00299511/step, 3.12956 hours remaining, 207.542969 MB of memory in use. ENERGY: 1238400 724.6705 2100.2961 1918.9126 113.8676 -205676.1926 17332.0914 0.0000 0.0000 34141.6617 -149344.6927 298.1676 -183486.3544 -149240.6642 300.0442 -114.3002 -78.4129 556208.7982 7.9952 7.9084 PRESSURE: 1238600 22.3358 -22.7331 195.687 -22.7324 -41.9085 -66.0252 195.687 -66.0241 -37.167 GPRESSURE: 1238600 8.1047 -111.669 150.212 -1.73832 29.2915 -50.1095 289.705 43.7485 -9.80986 PRESSAVG: 1238600 7.19081 -57.6854 -61.3544 -57.6854 33.6122 -2.40204 -61.3543 -2.40214 -22.0453 GPRESSAVG: 1238600 7.27083 -58.0246 -60.7666 -57.7865 33.2025 -2.41084 -63.1757 -5.63831 -21.9903 TIMING: 1238600 CPU: 3692.17, 0.00302919/step Wall: 3692.17, 0.00302919/step, 3.165 hours remaining, 207.542969 MB of memory in use. ENERGY: 1238600 763.5260 2101.0504 1941.5550 120.7572 -206345.1928 17743.1951 0.0000 0.0000 34353.8904 -149321.2187 300.0211 -183675.1091 -149232.5723 298.9522 -18.9132 9.1955 556925.3772 6.2525 6.1610 PRESSURE: 1238800 112.84 4.88029 -0.42865 4.8802 49.3823 34.7752 -0.428831 34.7747 120.485 GPRESSURE: 1238800 156.759 33.0229 -52.244 33.172 9.1057 -24.7593 -75.8333 -20.2885 208.134 PRESSAVG: 1238800 -33.6125 -23.3021 1.17692 -23.3019 88.9346 2.31849 1.1769 2.31862 -54.7755 GPRESSAVG: 1238800 -33.4206 -22.3342 1.53983 -25.4156 87.671 2.27319 -0.277206 2.93215 -53.5855 TIMING: 1238800 CPU: 3692.77, 0.002981/step Wall: 3692.77, 0.002981/step, 3.11448 hours remaining, 207.542969 MB of memory in use. ENERGY: 1238800 732.7099 2135.9422 1909.0383 120.2862 -206565.1149 18058.7406 0.0000 0.0000 34131.6910 -149476.7067 298.0805 -183608.3977 -149380.4310 298.7359 94.2357 124.6663 557441.8325 0.1822 0.2216 PRESSURE: 1239000 137.503 62.5672 7.7095 62.567 145.364 -26.9057 7.70968 -26.906 92.7054 GPRESSURE: 1239000 156.324 150.262 -37.5968 56.8382 172.028 -40.7564 -18.2623 -74.1479 142.54 PRESSAVG: 1239000 -16.0393 0.651014 -44.1752 0.650991 63.3304 33.6363 -44.1753 33.6361 -67.9034 GPRESSAVG: 1239000 -16.3184 1.56238 -45.2371 0.54409 64.4316 32.9908 -40.4891 34.7556 -68.8639 TIMING: 1239000 CPU: 3693.37, 0.0030149/step Wall: 3693.37, 0.0030149/step, 3.14974 hours remaining, 207.542969 MB of memory in use. ENERGY: 1239000 733.9150 2040.0013 1932.5879 125.7021 -206497.6383 18088.1012 0.0000 0.0000 34091.7066 -149485.6242 297.7314 -183577.3308 -149393.1397 298.2904 125.1909 156.9641 556981.3048 -6.8708 -6.9169 PRESSURE: 1239200 -230.834 25.0727 -103.254 25.0729 158.953 -91.9682 -103.254 -91.9679 68.1971 GPRESSURE: 1239200 -242.62 34.0729 -172.524 58.8271 190.055 -83.7997 -57.9824 -77.2442 130.163 PRESSAVG: 1239200 -61.65 -24.6358 -19.6421 -24.6357 66.2329 -18.0971 -19.6421 -18.0972 14.4309 GPRESSAVG: 1239200 -61.8313 -26.0514 -20.6653 -22.6725 66.521 -18.0391 -19.6903 -17.9578 13.8732 TIMING: 1239200 CPU: 3693.98, 0.00301698/step Wall: 3693.98, 0.00301698/step, 3.15174 hours remaining, 207.542969 MB of memory in use. ENERGY: 1239200 734.9807 2079.4581 1940.3300 120.6178 -206361.8468 17773.0056 0.0000 0.0000 33943.0801 -149770.3745 296.4334 -183713.4546 -149666.9642 297.7950 -1.2279 25.8658 557771.3747 6.3380 6.1876 PRESSURE: 1239400 35.2458 17.0565 -29.0854 17.0571 101.865 88.4891 -29.0853 88.4902 86.7758 GPRESSURE: 1239400 79.1582 22.0544 1.99657 -77.5542 137.071 3.78134 -61.3826 82.7777 107.381 PRESSAVG: 1239400 -17.7585 -33.7672 34.985 -33.7672 57.8075 -51.2116 34.985 -51.2116 -48.1776 GPRESSAVG: 1239400 -17.4178 -33.4657 37.8502 -35.1394 57.5218 -51.6387 34.6726 -51.3165 -47.5749 TIMING: 1239400 CPU: 3694.58, 0.00301976/step Wall: 3694.58, 0.00301976/step, 3.15448 hours remaining, 207.542969 MB of memory in use. ENERGY: 1239400 719.5747 2074.5668 1941.1546 119.3362 -206085.9131 17721.9977 0.0000 0.0000 33870.5427 -149638.7403 295.7999 -183509.2830 -149541.4533 297.5874 74.6289 107.8701 557113.7032 -2.7096 -2.4903 PRESSURE: 1239600 197.351 21.7834 -194.165 21.7839 -2.0766 41.9036 -194.164 41.9057 -86.8893 GPRESSURE: 1239600 244.955 25.6333 -218.241 4.35963 -17.8244 49.7471 -140.38 18.2057 -22.7928 PRESSAVG: 1239600 3.95265 -80.5512 -17.2958 -80.5512 57.2443 -42.1754 -17.2959 -42.1753 -5.30197 GPRESSAVG: 1239600 3.61401 -80.1023 -21.021 -79.7234 57.8134 -41.5088 -17.5892 -43.0279 -4.73551 TIMING: 1239600 CPU: 3695.18, 0.00298438/step Wall: 3695.18, 0.00298438/step, 3.11736 hours remaining, 207.542969 MB of memory in use. ENERGY: 1239600 754.3109 2072.1103 1933.8230 120.1293 -206564.6857 17849.1428 0.0000 0.0000 34154.3253 -149680.8441 298.2782 -183835.1694 -149580.9416 297.9245 36.1284 68.1126 555924.9327 18.6316 18.8973 PRESSURE: 1239800 72.7357 8.99658 -38.2236 8.99633 1.52176 205.427 -38.2246 205.428 203.041 GPRESSURE: 1239800 82.7685 18.973 91.3828 3.87719 39.9969 227.006 -124.757 254.057 264.842 PRESSAVG: 1239800 1.76289 -36.3133 -27.4447 -36.3132 51.5485 -3.15843 -27.4446 -3.15842 -21.4547 GPRESSAVG: 1239800 2.66312 -37.1272 -24.8952 -36.0761 50.8773 -2.58306 -28.8452 -2.86111 -21.7281 TIMING: 1239800 CPU: 3695.78, 0.00299943/step Wall: 3695.78, 0.00299943/step, 3.13291 hours remaining, 207.542969 MB of memory in use. ENERGY: 1239800 757.1962 2065.8590 1951.9618 124.4340 -206684.4414 18049.1753 0.0000 0.0000 34049.7640 -149686.0509 297.3651 -183735.8149 -149586.5460 297.7879 92.4327 129.2026 555701.2419 10.6189 10.6041 PRESSURE: 1240000 146.837 0.915353 36.0887 0.914695 -49.4404 138.952 36.0895 138.954 30.8888 GPRESSURE: 1240000 154.089 -16.7766 -4.4157 -46.8571 65.5121 96.6971 -15.8579 165.097 1.7909 PRESSAVG: 1240000 -117.207 -46.538 18.2193 -46.5381 116.799 9.64311 18.2192 9.64324 -22.9146 GPRESSAVG: 1240000 -117.824 -45.7691 17.1376 -45.5308 117.679 9.18337 16.9751 8.36202 -23.141 TIMING: 1240000 CPU: 3696.37, 0.00298958/step Wall: 3696.37, 0.00298958/step, 3.12245 hours remaining, 207.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1240000 723.9035 2062.0902 1928.1423 112.8332 -206322.1162 17792.0991 0.0000 0.0000 34139.1648 -149563.8832 298.1458 -183703.0480 -149471.7145 298.0492 42.7617 73.7973 556023.0070 -7.7744 -7.7620 PRESSURE: 1240200 -120.584 4.61794 -201.78 4.61825 78.7559 142.045 -201.78 142.046 -169.385 GPRESSURE: 1240200 -12.8337 -151.496 -178.147 131.896 60.3484 -18.4944 -213.654 198.729 -168.854 PRESSAVG: 1240200 -43.237 32.7381 39.3155 32.7381 21.1505 9.1789 39.3155 9.17885 -27.5644 GPRESSAVG: 1240200 -43.5324 31.1565 40.4532 30.1556 21.0254 9.53003 38.1755 9.29965 -27.3537 TIMING: 1240200 CPU: 3696.97, 0.00298151/step Wall: 3696.97, 0.00298151/step, 3.11386 hours remaining, 207.542969 MB of memory in use. ENERGY: 1240200 739.5417 2066.0605 1932.4730 119.6478 -206201.4434 17758.5765 0.0000 0.0000 34213.5820 -149371.5619 298.7957 -183585.1439 -149279.9257 298.0495 -70.4043 -40.4466 557416.6908 -16.5503 -16.6203 LDB: ============= START OF LOAD BALANCING ============== 3700.52 LDB: ============== END OF LOAD BALANCING =============== 3700.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3700.52 LDB: ============= START OF LOAD BALANCING ============== 3700.83 LDB: Largest compute 4773 load 0.028405 is 24.1% of average load 0.118107 LDB: Average compute 0.001707 is 1.4% of average load 0.118107 LDB: TIME 3700.83 LOAD: AVG 0.118107 MAX 0.210385 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.574 MB LDB: TIME 3700.83 LOAD: AVG 0.118107 MAX 0.210385 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.574 MB LDB: TIME 3700.83 LOAD: AVG 0.118107 MAX 0.210385 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.574 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3700.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3700.83 PRESSURE: 1240400 107.729 -58.947 -90.2371 -58.9455 147.084 -2.75218 -90.2377 -2.75242 63.6661 GPRESSURE: 1240400 111.716 -28.598 -99.5554 -89.3611 194.965 55.4252 -79.5522 22.9178 101.669 PRESSAVG: 1240400 -71.8031 -3.77421 21.2896 -3.77421 53.3903 1.13957 21.2896 1.13943 5.02264 GPRESSAVG: 1240400 -71.6782 -1.11583 22.1737 -2.67405 52.4396 -0.0888907 22.8372 0.996367 5.76519 TIMING: 1240400 CPU: 3697.58, 0.00306939/step Wall: 3697.58, 0.00306938/step, 3.20546 hours remaining, 206.507812 MB of memory in use. ENERGY: 1240400 731.6090 2085.2702 1926.7289 120.5367 -206377.5966 18015.3451 0.0000 0.0000 34202.7356 -149295.3711 298.7010 -183498.1067 -149201.3945 299.8133 106.1596 136.1167 556220.0279 -4.4634 -4.4911 PRESSURE: 1240600 -0.629657 23.7541 115.925 23.7536 23.9975 43.655 115.925 43.6538 41.9018 GPRESSURE: 1240600 38.8803 -6.40397 130.735 -15.5643 95.0682 10.5675 77.3812 98.4573 33.4417 PRESSAVG: 1240600 18.0116 -11.5104 -2.86803 -11.5104 17.3655 44.073 -2.86803 44.073 13.8903 GPRESSAVG: 1240600 18.4207 -11.1913 -3.38831 -12.8589 17.7976 44.5068 -2.30181 45.5404 13.0658 TIMING: 1240600 CPU: 3698.18, 0.00297953/step Wall: 3698.18, 0.00297953/step, 3.11146 hours remaining, 206.507812 MB of memory in use. ENERGY: 1240600 737.7306 2058.2350 1953.3131 127.4339 -206036.6326 17734.3834 0.0000 0.0000 34309.4436 -149116.0930 299.6329 -183425.5366 -149026.4845 299.8579 21.7566 55.7967 556949.3456 16.4224 16.4281 PRESSURE: 1240800 -103.863 187.612 -55.3394 187.612 23.1157 71.2065 -55.3395 71.2077 41.0828 GPRESSURE: 1240800 -53.7785 161.109 53.1588 164.899 79.7208 69.7987 -181.547 48.762 32.8231 PRESSAVG: 1240800 -64.9285 -3.45722 1.02158 -3.45723 33.3234 28.6527 1.02158 28.6527 14.8008 GPRESSAVG: 1240800 -65.1224 -3.42027 0.354909 -3.13512 33.2177 28.3195 0.575725 27.9935 15.1116 TIMING: 1240800 CPU: 3698.78, 0.00297897/step Wall: 3698.78, 0.00297897/step, 3.11071 hours remaining, 206.507812 MB of memory in use. ENERGY: 1240800 762.4764 2087.9633 1919.8235 113.5211 -206258.0189 17878.0862 0.0000 0.0000 34191.8119 -149304.3364 298.6056 -183496.1483 -149202.1904 299.1935 -13.2216 19.5885 557465.1728 -5.6014 -5.5977 PRESSURE: 1241000 -195.626 3.95735 -121.911 3.95605 -244.127 233.954 -121.91 233.955 -2.38487 GPRESSURE: 1241000 -151.133 -28.9537 -120.684 -80.464 -215.472 284.582 -80.7652 178.703 2.07457 PRESSAVG: 1241000 -11.4671 27.5648 -47.2487 27.5649 -15.4112 3.88073 -47.2486 3.88077 31.9942 GPRESSAVG: 1241000 -10.6408 27.892 -48.9684 26.7662 -17.0519 4.90207 -45.4957 4.01007 31.8512 TIMING: 1241000 CPU: 3699.37, 0.00296274/step Wall: 3699.37, 0.00296274/step, 3.09359 hours remaining, 206.507812 MB of memory in use. ENERGY: 1241000 779.0203 2046.5367 1934.7442 114.4280 -206139.9280 17504.5764 0.0000 0.0000 34528.0684 -149232.5540 301.5422 -183760.6223 -149137.4050 299.9537 -147.3794 -121.5100 558707.7151 1.7053 1.3862 PRESSURE: 1241200 -31.0638 -26.3983 121.929 -26.3988 -253.952 -21.432 121.93 -21.4327 203.761 GPRESSURE: 1241200 2.36083 19.2885 130.775 -87.4429 -180.822 4.85575 147.097 -45.3213 205.807 PRESSAVG: 1241200 24.6108 -41.6133 5.08446 -41.6133 -55.7434 -4.61727 5.08444 -4.61724 20.5581 GPRESSAVG: 1241200 22.9102 -40.9125 6.48601 -39.5917 -54.0057 -3.73519 4.63217 -4.23044 20.4619 TIMING: 1241200 CPU: 3699.97, 0.00298716/step Wall: 3699.97, 0.00298716/step, 3.11893 hours remaining, 206.507812 MB of memory in use. ENERGY: 1241200 716.6704 2082.7969 1957.3173 110.6586 -206266.1877 17872.7079 0.0000 0.0000 34158.4306 -149367.6060 298.3141 -183526.0366 -149267.3061 299.3671 -27.0851 9.1155 556656.7603 -3.5248 -3.5445 PRESSURE: 1241400 168.443 126.859 28.9187 126.858 -127.847 -99.2903 28.9189 -99.2901 -13.2609 GPRESSURE: 1241400 192.076 184.202 -20.7989 66.7824 -102.5 -73.003 0.472248 -66.6397 26.7981 PRESSAVG: 1241400 62.8966 -16.2076 43.5775 -16.2077 -46.7038 -29.0515 43.5776 -29.0516 26.1714 GPRESSAVG: 1241400 62.9401 -20.1451 43.5354 -13.2235 -47.0451 -28.14 42.2738 -31.4529 26.1257 TIMING: 1241400 CPU: 3700.56, 0.00296536/step Wall: 3700.56, 0.00296536/step, 3.096 hours remaining, 206.507812 MB of memory in use. ENERGY: 1241400 766.3661 2088.1180 1939.7879 111.1975 -206309.4605 17759.9146 0.0000 0.0000 34371.2136 -149272.8627 300.1724 -183644.0764 -149171.0748 298.6757 9.1115 38.7913 555711.3360 14.1214 14.0069 PRESSURE: 1241600 -241.502 -48.6289 -5.91518 -48.6288 -197.517 -13.4991 -5.91648 -13.5 -103.176 GPRESSURE: 1241600 -251.653 -15.9281 70.9132 -30.4788 -138.404 -34.8982 -32.0435 -70.8561 -40.494 PRESSAVG: 1241600 11.9138 -11.1832 -44.6233 -11.1832 -28.9121 -44.305 -44.6234 -44.3051 -5.11901 GPRESSAVG: 1241600 11.6872 -4.32722 -43.9371 -15.6207 -28.2447 -47.8699 -46.2388 -42.3147 -5.65805 TIMING: 1241600 CPU: 3701.15, 0.00297642/step Wall: 3701.15, 0.00297642/step, 3.10738 hours remaining, 206.507812 MB of memory in use. ENERGY: 1241600 728.9977 2035.4331 1983.0866 115.2805 -205892.2472 17591.9759 0.0000 0.0000 34158.5343 -149278.9389 298.3150 -183437.4733 -149175.9336 298.8129 -180.7317 -143.5171 557089.4641 -7.3724 -7.4052 PRESSURE: 1241800 101.204 55.4174 18.2885 55.4163 -172.24 -66.3611 18.2884 -66.3606 227.695 GPRESSURE: 1241800 154.587 22.1883 5.93625 34.7998 -181.179 -88.3398 52.6611 -64.8518 276.94 PRESSAVG: 1241800 28.3097 30.3502 -48.1976 30.3502 -48.2624 16.3282 -48.1977 16.3283 30.0164 GPRESSAVG: 1241800 29.6537 27.4752 -49.2555 32.045 -48.947 17.508 -44.9147 15.8886 29.9303 TIMING: 1241800 CPU: 3701.76, 0.00302376/step Wall: 3701.76, 0.00302376/step, 3.15663 hours remaining, 206.507812 MB of memory in use. ENERGY: 1241800 761.4002 2108.3616 1926.1397 104.5297 -206359.5670 17940.2258 0.0000 0.0000 34206.0442 -149312.8658 298.7299 -183518.9101 -149211.9908 299.2673 52.2196 83.4492 557388.7836 3.3546 3.5457 PRESSURE: 1242000 -19.3475 113.813 -37.7504 113.813 -49.4381 5.86767 -37.7511 5.86795 -90.8624 GPRESSURE: 1242000 -28.2464 143.913 -124.798 71.1973 3.58221 50.1994 12.6056 -0.510802 -35.8074 PRESSAVG: 1242000 37.9083 -23.0089 37.916 -23.0089 2.04084 11.8625 37.916 11.8623 12.9759 GPRESSAVG: 1242000 37.9426 -24.3314 37.4855 -23.0541 1.75405 12.4687 36.4282 10.0915 13.6997 TIMING: 1242000 CPU: 3702.36, 0.00299294/step Wall: 3702.36, 0.00299294/step, 3.1243 hours remaining, 206.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1242000 739.6385 2089.3657 1934.4720 115.2616 -206214.0446 17727.8160 0.0000 0.0000 34444.9079 -149162.5830 300.8159 -183607.4909 -149059.9028 299.7927 -53.2160 -20.1572 558630.4754 17.6417 17.7988 PRESSURE: 1242200 66.4176 138.632 127.748 138.63 9.95251 32.2402 127.749 32.2399 242.356 GPRESSURE: 1242200 105.85 172.489 91.8052 83.921 61.559 15.8483 165.934 125.753 249.378 PRESSAVG: 1242200 14.7543 21.0667 6.34766 21.0667 -51.8525 -24.9789 6.34768 -24.9789 68.9765 GPRESSAVG: 1242200 14.5237 22.6668 8.6628 19.3812 -51.4428 -25.1315 7.46908 -24.2992 69.0991 TIMING: 1242200 CPU: 3702.95, 0.00298573/step Wall: 3702.95, 0.00298573/step, 3.11661 hours remaining, 206.507812 MB of memory in use. ENERGY: 1242200 771.6526 2099.6398 1905.0043 104.4583 -206510.1140 18128.6506 0.0000 0.0000 34332.8345 -149167.8739 299.8372 -183500.7084 -149071.8271 299.7917 106.2420 138.9291 558264.3826 10.6261 10.7267 PRESSURE: 1242400 -149.597 37.9716 -48.0866 37.9716 13.774 146.581 -48.0849 146.582 54.1144 GPRESSURE: 1242400 -87.6108 5.59999 -75.5848 54.0429 35.7109 158.208 -107.775 137.109 68.1753 PRESSAVG: 1242400 0.765222 33.9064 -50.2189 33.9065 -14.3983 22.3014 -50.2189 22.3014 -9.39988 GPRESSAVG: 1242400 0.272814 31.7946 -53.2019 34.4174 -14.7761 21.6949 -50.3994 24.594 -8.48952 TIMING: 1242400 CPU: 3703.55, 0.00298381/step Wall: 3703.55, 0.00298381/step, 3.11444 hours remaining, 206.507812 MB of memory in use. ENERGY: 1242400 770.7350 2112.1287 1934.4504 113.6404 -206320.0681 17894.1308 0.0000 0.0000 34303.3613 -149191.6214 299.5798 -183494.9827 -149096.7917 300.1141 -27.2362 5.4251 558021.2278 -7.6777 -7.6643 PRESSURE: 1242600 245.05 101.829 17.0817 101.829 198.547 166.325 17.0813 166.324 88.3613 GPRESSURE: 1242600 259.427 53.1216 -4.10745 85.2955 224.954 169.546 -7.6133 190.166 136.442 PRESSAVG: 1242600 46.0592 35.6086 34.5699 35.6086 19.9014 41.659 34.57 41.6589 -37.845 GPRESSAVG: 1242600 45.6743 35.5597 35.3277 38.6097 20.4043 41.4359 34.8288 40.1534 -38.2499 TIMING: 1242600 CPU: 3704.15, 0.00300039/step Wall: 3704.15, 0.00300039/step, 3.13158 hours remaining, 206.507812 MB of memory in use. ENERGY: 1242600 742.2042 2059.5586 1944.0081 114.3703 -206469.8331 18079.1939 0.0000 0.0000 34287.8664 -149242.6316 299.4445 -183530.4979 -149153.9208 299.2570 177.3194 206.9409 556824.2174 9.3719 9.2763 PRESSURE: 1242800 -32.7147 12.0562 252.819 12.0562 -327.4 98.0942 252.818 98.0938 215.712 GPRESSURE: 1242800 37.624 83.0605 237.502 -60.7291 -288.16 6.61678 242.031 200.605 188.313 PRESSAVG: 1242800 -18.6487 -21.4832 49.0228 -21.4832 -14.5892 27.6757 49.0229 27.6757 31.4087 GPRESSAVG: 1242800 -19.7214 -21.5771 49.7898 -21.9298 -14.5677 26.4714 48.0046 28.1383 31.888 TIMING: 1242800 CPU: 3704.75, 0.00299724/step Wall: 3704.75, 0.00299724/step, 3.12812 hours remaining, 206.507812 MB of memory in use. ENERGY: 1242800 713.2856 2101.7081 1933.3404 108.6178 -205781.7542 17652.8908 0.0000 0.0000 34224.1935 -149047.7181 298.8884 -183271.9115 -148948.6415 298.7259 -48.1343 -20.7408 559481.3508 -0.6098 -0.8004 PRESSURE: 1243000 -285.641 -129.453 133.519 -129.452 -116.016 -112.43 133.52 -112.429 -106.993 GPRESSURE: 1243000 -230.673 -199.653 123.164 -60.2326 -114.228 -115.453 128.862 -164.104 -75.5018 PRESSAVG: 1243000 -42.5936 51.9535 -13.8855 51.9535 -7.70703 -23.3681 -13.8855 -23.3682 38.7976 GPRESSAVG: 1243000 -41.2944 50.8184 -14.3242 53.3093 -8.63026 -22.909 -14.4898 -23.3969 38.7155 TIMING: 1243000 CPU: 3705.35, 0.00298567/step Wall: 3705.35, 0.00298567/step, 3.11588 hours remaining, 206.710938 MB of memory in use. ENERGY: 1243000 783.6834 2066.1971 1956.5886 99.3833 -206114.3526 17746.0791 0.0000 0.0000 34362.6694 -149099.7517 300.0977 -183462.4211 -148997.2991 299.9460 -169.5503 -140.1343 558074.9499 -3.8343 -3.7364 PRESSURE: 1243200 -115.192 76.4813 -76.8515 76.4801 -182.686 37.4173 -76.851 37.4184 64.8202 GPRESSURE: 1243200 -71.747 44.2665 -115.435 86.8748 -166.66 60.8366 58.6501 -23.3266 113.025 PRESSAVG: 1243200 62.2245 38.3612 33.1095 38.3612 -45.1075 -27.7888 33.1096 -27.7888 -41.8409 GPRESSAVG: 1243200 62.2517 39.3473 32.9708 37.8571 -44.3431 -27.5738 33.1778 -27.9426 -42.3738 TIMING: 1243200 CPU: 3705.94, 0.00297262/step Wall: 3705.94, 0.00297262/step, 3.1021 hours remaining, 206.710938 MB of memory in use. ENERGY: 1243200 740.4973 2069.0078 1919.0781 118.5816 -205700.7626 17630.1214 0.0000 0.0000 34144.2665 -149079.2098 298.1904 -183223.4764 -148984.2329 300.0753 -77.6859 -41.7942 557380.0475 -8.2413 -8.1551 PRESSURE: 1243400 270.332 -71.2504 18.7133 -71.2495 128.488 28.7949 18.7137 28.7968 -41.7444 GPRESSURE: 1243400 307.659 -86.2618 99.337 -105.016 124.423 0.677792 12.4893 32.6376 22.5617 PRESSAVG: 1243400 42.7263 9.44817 -25.529 9.44809 15.6467 -18.4063 -25.529 -18.4063 -7.24385 GPRESSAVG: 1243400 43.073 10.4668 -25.5147 6.92437 15.4006 -17.8585 -24.7985 -17.1091 -7.76631 TIMING: 1243400 CPU: 3706.54, 0.00300269/step Wall: 3706.54, 0.00300269/step, 3.13331 hours remaining, 206.710938 MB of memory in use. ENERGY: 1243400 722.8651 2096.6168 1908.2834 112.2122 -206171.6163 18037.7526 0.0000 0.0000 34244.5078 -149049.3783 299.0658 -183293.8861 -148955.4210 300.2686 119.0250 151.5478 557678.8672 17.0431 16.9024 PRESSURE: 1243600 -5.42215 -62.5715 -115.807 -62.572 -170.169 -170.365 -115.807 -170.365 8.75993 GPRESSURE: 1243600 46.354 -96.5424 -176.288 -36.2765 -133.584 -207.601 -74.9726 -110.141 28.109 PRESSAVG: 1243600 -28.1898 2.17104 18.0124 2.17101 -20.6953 -19.6045 18.0124 -19.6045 30.7423 GPRESSAVG: 1243600 -27.4707 0.517246 17.8467 4.44465 -20.8495 -21.9145 15.6423 -18.5951 30.1888 TIMING: 1243600 CPU: 3707.14, 0.00296744/step Wall: 3707.14, 0.00296744/step, 3.09636 hours remaining, 206.710938 MB of memory in use. ENERGY: 1243600 737.1054 2073.8450 1915.1387 121.7203 -206235.7632 17882.0966 0.0000 0.0000 34627.8669 -148877.9903 302.4138 -183505.8572 -148777.9619 300.2781 -55.6103 -19.7070 558263.4496 -6.0476 -6.0438 PRESSURE: 1243800 33.9294 -52.0408 -3.81879 -52.041 313.632 -23.0018 -3.81936 -23.0024 3.92953 GPRESSURE: 1243800 57.5849 -81.06 28.8699 3.60013 351.841 -43.8476 37.7337 -8.7552 36.5452 PRESSAVG: 1243800 3.39305 9.68452 -3.9561 9.6845 20.1752 -6.02702 -3.95605 -6.02706 3.89894 GPRESSAVG: 1243800 2.26296 11.9444 -2.36186 7.4258 20.7238 -3.65372 -4.32919 -9.58125 5.28378 TIMING: 1243800 CPU: 3707.73, 0.00297373/step Wall: 3707.73, 0.00297373/step, 3.10276 hours remaining, 206.710938 MB of memory in use. ENERGY: 1243800 745.0881 2060.6372 1914.6867 122.5831 -206078.4212 17883.9508 0.0000 0.0000 34498.4678 -148853.0075 301.2837 -183351.4753 -148757.1136 300.8223 117.1637 148.6570 556741.4767 9.1557 9.4235 PRESSURE: 1244000 -179.107 -110.157 -49.5978 -110.156 -1.62306 -109.529 -49.5966 -109.529 -163.694 GPRESSURE: 1244000 -218.446 -70.5725 -1.76001 -95.0781 47.1091 -28.7724 -103.594 -141.638 -74.0423 PRESSAVG: 1244000 -18.3305 -16.7873 -66.6747 -16.7872 31.4486 -21.1066 -66.6747 -21.1066 -9.83109 GPRESSAVG: 1244000 -17.6992 -16.9163 -67.0243 -16.3303 30.93 -19.5426 -64.3609 -20.2743 -9.9642 TIMING: 1244000 CPU: 3708.32, 0.00296684/step Wall: 3708.32, 0.00296684/step, 3.0954 hours remaining, 206.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1244000 711.8449 2106.3963 1939.6668 112.8479 -205564.3050 17532.1912 0.0000 0.0000 34160.2935 -149001.0644 298.3303 -183161.3579 -148902.8458 300.5691 -114.8082 -81.7929 557988.2679 1.0957 1.0889 PRESSURE: 1244200 59.7042 67.3764 -81.115 67.3762 90.6921 23.3964 -81.1149 23.3954 -50.9774 GPRESSURE: 1244200 102.254 96.9908 -94.8519 138.177 29.1014 -27.3788 -56.6329 -12.1304 55.4023 PRESSAVG: 1244200 15.7576 -5.15605 -57.5658 -5.15609 -0.62181 24.4323 -57.5658 24.4322 47.3396 GPRESSAVG: 1244200 15.4617 -6.34377 -57.8408 -3.72037 -0.92543 24.2747 -56.5618 24.2979 47.6905 TIMING: 1244200 CPU: 3708.92, 0.00297833/step Wall: 3708.92, 0.00297833/step, 3.10722 hours remaining, 206.710938 MB of memory in use. ENERGY: 1244200 742.3535 2127.0710 1917.6560 120.0522 -205895.6350 17875.3763 0.0000 0.0000 34184.0309 -148929.0950 298.5376 -183113.1259 -148832.7460 299.3381 33.1396 62.2527 558640.2657 20.8251 20.7422 LDB: ============= START OF LOAD BALANCING ============== 3712.47 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3712.47 LDB: =============== DONE WITH MIGRATION ================ 3712.47 LDB: ============= START OF LOAD BALANCING ============== 3712.77 LDB: Largest compute 4773 load 0.028677 is 24.3% of average load 0.118234 LDB: Average compute 0.001716 is 1.5% of average load 0.118234 LDB: TIME 3712.77 LOAD: AVG 0.118234 MAX 0.210156 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.508 MB LDB: TIME 3712.77 LOAD: AVG 0.118234 MAX 0.210156 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.57 MB LDB: TIME 3712.77 LOAD: AVG 0.118234 MAX 0.210156 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.57 MB LDB: ============== END OF LOAD BALANCING =============== 3712.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3712.78 PRESSURE: 1244400 -20.3408 -141.66 -68.6696 -141.661 -151.025 66.4045 -68.6698 66.4034 222.955 GPRESSURE: 1244400 17.7686 -164.076 -42.9087 -17.9427 -144.995 47.7127 -16.8566 76.2772 280.952 PRESSAVG: 1244400 30.2393 36.6109 -18.6397 36.6109 -24.9698 25.1752 -18.6397 25.1752 13.2851 GPRESSAVG: 1244400 30.5572 36.6423 -18.1911 35.5127 -24.6733 25.845 -19.8086 25.2073 13.0155 TIMING: 1244400 CPU: 3709.53, 0.00304517/step Wall: 3709.53, 0.00304517/step, 3.17679 hours remaining, 206.507812 MB of memory in use. ENERGY: 1244400 725.7897 2121.4130 1906.7504 105.4923 -206049.7537 17774.2135 0.0000 0.0000 34391.1488 -149024.9460 300.3465 -183416.0948 -148924.3272 299.5555 17.1964 51.2419 556079.3565 6.1849 6.2998 PRESSURE: 1244600 -53.0281 -114.348 -31.2349 -114.349 -101.391 9.56119 -31.2363 9.56069 -101.056 GPRESSURE: 1244600 -25.6606 -80.0928 33.9187 -220.878 -61.1677 100.382 -87.0928 -57.6124 -71.1167 PRESSAVG: 1244600 7.17847 -22.1088 -8.29515 -22.1088 20.9243 35.4398 -8.29511 35.4398 -31.7657 GPRESSAVG: 1244600 7.36552 -22.8285 -7.29809 -22.2626 21.2488 34.5254 -9.03352 34.5998 -32.1163 TIMING: 1244600 CPU: 3710.12, 0.00296262/step Wall: 3710.12, 0.00296262/step, 3.09051 hours remaining, 206.507812 MB of memory in use. ENERGY: 1244600 747.2990 2065.1652 1916.2596 111.6887 -205983.6111 17664.6549 0.0000 0.0000 34451.0690 -149027.4747 300.8698 -183478.5437 -148926.5079 300.1624 -85.1584 -52.6483 557479.1648 -1.2210 -1.1673 PRESSURE: 1244800 -66.5844 3.01886 65.8817 3.01789 -73.17 82.3872 65.8824 82.3895 77.8822 GPRESSURE: 1244800 -63.2005 -30.2019 75.2769 -38.7906 -31.011 69.2997 14.4095 83.7757 128.388 PRESSAVG: 1244800 -44.0901 -45.7951 -22.5418 -45.7951 -13.4051 -10.8597 -22.542 -10.8599 21.3292 GPRESSAVG: 1244800 -44.714 -46.8369 -23.6687 -46.2283 -13.2287 -13.314 -23.7105 -9.05328 21.8572 TIMING: 1244800 CPU: 3710.72, 0.00296522/step Wall: 3710.72, 0.00296522/step, 3.09305 hours remaining, 206.507812 MB of memory in use. ENERGY: 1244800 711.3093 2092.9464 1952.1439 108.5747 -205833.0269 17741.8556 0.0000 0.0000 34240.5944 -148985.6025 299.0316 -183226.1969 -148883.2473 299.5335 -20.6241 11.3921 556918.6753 -12.0553 -12.0285 PRESSURE: 1245000 -29.03 31.0721 -118.942 31.0726 278.593 11.1717 -118.943 11.17 -40.2165 GPRESSURE: 1245000 48.459 -23.2047 -77.5531 -37.3528 245.377 32.1247 -106.846 -31.1826 16.5158 PRESSAVG: 1245000 -31.8852 -51.6167 19.182 -51.6167 20.388 -8.83688 19.182 -8.83684 18.8052 GPRESSAVG: 1245000 -30.965 -50.93 20.2103 -51.0945 19.995 -6.6188 20.2036 -8.57997 18.6219 TIMING: 1245000 CPU: 3711.31, 0.0029902/step Wall: 3711.31, 0.0029902/step, 3.11895 hours remaining, 206.507812 MB of memory in use. ENERGY: 1245000 725.6656 2108.6929 1926.9504 106.0429 -206204.1267 17908.5402 0.0000 0.0000 34295.7280 -149132.5068 299.5131 -183428.2348 -149035.4251 299.4264 69.7821 103.4507 556513.0117 2.4360 2.5506 PRESSURE: 1245200 -226.11 23.2472 -142.409 23.2478 237.738 -18.1747 -142.409 -18.1735 -221.642 GPRESSURE: 1245200 -179.029 63.8229 -93.8816 -7.80895 273.245 -2.03087 -140.48 -49.4624 -203.908 PRESSAVG: 1245200 10.657 -22.4555 -59.3823 -22.4554 57.5908 -7.79669 -59.3823 -7.79657 -76.6164 GPRESSAVG: 1245200 11.0055 -22.3134 -59.3995 -23.6445 58.0481 -7.47245 -57.9789 -8.62824 -77.1278 TIMING: 1245200 CPU: 3711.91, 0.00298296/step Wall: 3711.91, 0.00298296/step, 3.11122 hours remaining, 206.507812 MB of memory in use. ENERGY: 1245200 723.0576 2083.8642 1927.7700 116.3381 -205835.6937 17657.6302 0.0000 0.0000 34172.5889 -149154.4448 298.4377 -183327.0337 -149062.2793 299.8462 -70.0045 -36.5639 558059.7866 -2.7895 -2.6914 PRESSURE: 1245400 -107.478 75.8718 -2.63947 75.8719 67.1079 147.619 -2.64029 147.619 -106.998 GPRESSURE: 1245400 -72.7306 62.0009 32.3321 48.3052 98.0066 57.9553 -79.3187 175.061 -74.9249 PRESSAVG: 1245400 -53.4634 -2.73509 -11.3836 -2.73503 67.0131 -26.1956 -11.3835 -26.1957 -22.4333 GPRESSAVG: 1245400 -53.4571 -2.10399 -10.9772 -1.92745 66.9405 -29.6382 -11.7222 -23.8281 -22.628 TIMING: 1245400 CPU: 3712.51, 0.00299184/step Wall: 3712.51, 0.00299184/step, 3.12032 hours remaining, 206.507812 MB of memory in use. ENERGY: 1245400 778.6651 2138.5270 1936.5627 121.1710 -206125.5261 17647.2070 0.0000 0.0000 34272.7627 -149230.6308 299.3126 -183503.3935 -149143.8422 299.5483 -49.1224 -16.5496 556764.9983 -2.9612 -3.0482 PRESSURE: 1245600 4.29803 -153.303 -96.871 -153.304 -277.355 -115.581 -96.8707 -115.58 4.27662 GPRESSURE: 1245600 -9.15547 -121.06 -83.9402 -169.526 -211.153 -158.009 -23.1133 -203.029 56.5453 PRESSAVG: 1245600 31.9078 -72.3727 -19.7673 -72.3727 35.4981 -41.0888 -19.7674 -41.0887 -42.4239 GPRESSAVG: 1245600 31.7211 -72.2347 -19.1388 -74.2458 34.7922 -39.4085 -21.0491 -42.1336 -41.6613 TIMING: 1245600 CPU: 3713.11, 0.00298917/step Wall: 3713.11, 0.00298917/step, 3.11737 hours remaining, 206.507812 MB of memory in use. ENERGY: 1245600 725.5246 2103.0481 1945.1944 107.9711 -206023.4776 17679.3911 0.0000 0.0000 34383.8988 -149078.4495 300.2831 -183462.3483 -148979.0994 299.5193 -89.5935 -54.5877 557258.2093 8.3274 8.2840 PRESSURE: 1245800 -47.4351 -75.7219 -27.7979 -75.7218 31.9569 134.833 -27.7991 134.833 140.259 GPRESSURE: 1245800 -67.0419 -74.5684 -48.213 -42.5776 87.7794 70.0658 -8.65546 156.802 202.511 PRESSAVG: 1245800 41.9284 -30.4892 -12.5644 -30.4891 47.4813 -12.8469 -12.5645 -12.847 -46.5487 GPRESSAVG: 1245800 40.7809 -31.0019 -14.6016 -27.0722 47.9532 -10.4481 -10.6368 -16.0287 -45.917 TIMING: 1245800 CPU: 3713.7, 0.00295824/step Wall: 3713.7, 0.00295824/step, 3.08495 hours remaining, 206.507812 MB of memory in use. ENERGY: 1245800 724.5707 2109.8307 1944.4610 106.7195 -206390.2357 18060.5000 0.0000 0.0000 34232.7713 -149211.3825 298.9633 -183444.1538 -149121.2812 299.8508 41.5935 74.4162 558219.8585 14.2870 14.2724 PRESSURE: 1246000 75.1885 -184.581 -38.9576 -184.582 49.73 15.3544 -38.957 15.3549 -338.329 GPRESSURE: 1246000 91.7516 -256.011 -13.9392 -82.9062 106.436 -90.8271 -28.1745 42.8132 -315.24 PRESSAVG: 1246000 -46.7104 -46.7484 -29.7747 -46.7484 24.6525 -13.0657 -29.7747 -13.0657 -0.017871 GPRESSAVG: 1246000 -45.4013 -46.0803 -29.6188 -48.3607 23.9297 -13.5755 -30.7084 -10.8073 -0.690795 TIMING: 1246000 CPU: 3714.3, 0.00300838/step Wall: 3714.3, 0.00300838/step, 3.13707 hours remaining, 206.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1246000 766.7899 2014.9969 1923.3425 107.7953 -205984.8288 17688.9153 0.0000 0.0000 34338.3707 -149144.6183 299.8855 -183482.9889 -149047.4944 299.1403 -71.1369 -39.0175 556440.4220 -7.3586 -7.3875 PRESSURE: 1246200 -3.49567 46.4937 -179.874 46.4934 109.857 46.7934 -179.873 46.793 270.137 GPRESSURE: 1246200 23.3422 -32.6056 -211.133 94.585 127.917 24.9645 -142.767 26.6571 326.005 PRESSAVG: 1246200 26.4761 5.27679 28.1301 5.27675 30.4119 -2.52576 28.1301 -2.52589 -52.8709 GPRESSAVG: 1246200 26.5468 5.46718 27.642 6.28839 30.3474 -2.81397 29.1685 -3.87917 -52.745 TIMING: 1246200 CPU: 3714.9, 0.00299271/step Wall: 3714.9, 0.00299271/step, 3.12057 hours remaining, 206.507812 MB of memory in use. ENERGY: 1246200 764.5084 2089.3476 1916.8416 109.7056 -206326.9608 17977.0849 0.0000 0.0000 34349.4303 -149120.0424 299.9821 -183469.4726 -149022.1473 300.2078 125.4994 159.0881 556989.6965 1.3390 1.3830 PRESSURE: 1246400 -185.42 121.298 -94.4774 121.297 -62.0671 -10.9666 -94.4767 -10.966 -53.352 GPRESSURE: 1246400 -90.2886 64.0935 -87.1371 119.725 -97.197 -62.5237 -126.846 -48.176 -26.2646 PRESSAVG: 1246400 -43.161 7.59321 -20.1012 7.59314 36.3862 -29.3128 -20.1012 -29.3128 11.5434 GPRESSAVG: 1246400 -43.6271 7.76679 -20.6069 5.82514 36.4738 -30.0095 -21.9042 -26.5598 11.4822 TIMING: 1246400 CPU: 3715.49, 0.00298035/step Wall: 3715.49, 0.00298035/step, 3.10752 hours remaining, 206.507812 MB of memory in use. ENERGY: 1246400 794.8427 2077.6000 1928.2588 114.7757 -206099.5738 17879.9190 0.0000 0.0000 34282.1084 -149022.0692 299.3942 -183304.1776 -148922.4419 300.1193 -100.2796 -71.2501 558018.9712 1.5895 1.4430 PRESSURE: 1246600 -53.9432 -216.001 2.74389 -216.002 -64.9694 -7.14972 2.745 -7.15018 -103.554 GPRESSURE: 1246600 -54.957 -238.494 26.4479 -181.407 13.9862 -48.8738 -45.3676 54.5222 -93.4724 PRESSAVG: 1246600 -53.0918 13.8925 104.291 13.8925 7.00058 -1.49762 104.291 -1.49754 41.5858 GPRESSAVG: 1246600 -53.5486 13.9569 105.387 13.4354 9.61412 -2.14688 105.175 -0.818215 39.9628 TIMING: 1246600 CPU: 3716.09, 0.00296473/step Wall: 3716.09, 0.00296473/step, 3.09106 hours remaining, 206.507812 MB of memory in use. ENERGY: 1246600 725.0939 2117.9069 1933.8497 106.7657 -205905.4218 17846.3366 0.0000 0.0000 34259.9896 -148915.4795 299.2010 -183175.4691 -148814.8171 300.5343 -74.1557 -44.8144 559462.9399 -1.5018 -1.3239 PRESSURE: 1246800 158.688 -18.864 -192.125 -18.8634 -78.92 138.541 -192.127 138.542 -1.92391 GPRESSURE: 1246800 119.052 1.89552 -178.953 43.9565 4.52519 68.5869 -213.308 187.571 56.7874 PRESSAVG: 1246800 23.2754 -7.05646 -32.142 -7.0565 -50.9428 36.1569 -32.1421 36.157 -10.9084 GPRESSAVG: 1246800 24.099 -6.89176 -34.2893 -4.81429 -52.1164 37.7586 -27.583 34.135 -11.1923 TIMING: 1246800 CPU: 3716.68, 0.00298006/step Wall: 3716.68, 0.00298006/step, 3.10688 hours remaining, 206.507812 MB of memory in use. ENERGY: 1246800 751.4886 2109.1551 1922.3919 110.6169 -206091.5777 17827.9238 0.0000 0.0000 34467.3114 -148902.6899 301.0116 -183370.0014 -148808.4679 300.8586 25.9481 60.1215 558215.6334 -12.8586 -13.0699 PRESSURE: 1247000 132.891 88.3358 44.2155 88.3343 201.323 -118.585 44.215 -118.585 -103.063 GPRESSURE: 1247000 205.362 117.443 36.6584 156.801 174.011 10.0179 37.5004 -212.769 -41.1704 PRESSAVG: 1247000 -6.61483 11.6396 -17.2417 11.6397 54.1876 -0.89203 -17.2417 -0.892027 -29.685 GPRESSAVG: 1247000 -7.46544 10.0001 -13.8958 10.9384 54.6213 1.23513 -21.889 -1.48933 -29.4907 TIMING: 1247000 CPU: 3717.28, 0.00296912/step Wall: 3717.28, 0.00296912/step, 3.0953 hours remaining, 206.507812 MB of memory in use. ENERGY: 1247000 733.1804 2145.6341 1905.5876 123.2427 -206036.7507 17840.6346 0.0000 0.0000 34581.6633 -148706.8080 302.0103 -183288.4713 -148610.5921 300.6897 77.0503 112.7341 558354.2703 5.9626 5.8884 PRESSURE: 1247200 -77.2267 -37.3336 -37.9131 -37.3339 -91.5543 -36.9937 -37.9141 -36.9923 25.624 GPRESSURE: 1247200 -89.1393 -18.3546 -3.60237 -30.0492 -24.1397 -29.5193 -50.5651 -34.5571 77.6941 PRESSAVG: 1247200 56.2757 -55.5329 -42.5843 -55.5329 21.3989 -26.1604 -42.5843 -26.1604 -56.493 GPRESSAVG: 1247200 55.8467 -54.4243 -44.0632 -56.3217 21.4752 -29.4897 -41.4536 -23.9128 -56.3073 TIMING: 1247200 CPU: 3717.86, 0.00294058/step Wall: 3717.86, 0.00294058/step, 3.06539 hours remaining, 206.507812 MB of memory in use. ENERGY: 1247200 712.9882 2187.5653 1920.1173 98.1044 -205816.1649 17516.3188 0.0000 0.0000 34602.5918 -148778.4791 302.1930 -183381.0709 -148682.2854 300.4763 -47.7190 -11.8616 556628.6070 7.0605 7.0049 PRESSURE: 1247400 108.586 -86.277 -12.2938 -86.2757 -146.733 -45.5715 -12.2938 -45.5718 -308.829 GPRESSURE: 1247400 138.644 -106.101 -15.5642 -64.8416 -144.033 -35.2627 -58.5814 -54.249 -248.13 PRESSAVG: 1247400 49.7113 -16.4744 -85.2865 -16.4743 -22.2513 55.7807 -85.2866 55.7806 -60.9798 GPRESSAVG: 1247400 49.6788 -16.3414 -85.69 -16.827 -22.9636 56.8038 -84.0035 54.2057 -60.4752 TIMING: 1247400 CPU: 3718.46, 0.00298878/step Wall: 3718.46, 0.00298878/step, 3.11548 hours remaining, 206.507812 MB of memory in use. ENERGY: 1247400 752.0162 2076.3321 1903.8316 108.4506 -205534.5035 17487.7253 0.0000 0.0000 34323.3556 -148882.7922 299.7544 -183206.1477 -148788.1824 300.2881 -115.6585 -84.5061 558499.9789 -11.1733 -11.2533 PRESSURE: 1247600 -9.83941 -24.9732 26.24 -24.974 -117.331 108.109 26.2403 108.109 -209.718 GPRESSURE: 1247600 9.43658 -24.6861 57.0196 -48.1642 -159.624 56.7633 63.2049 147.354 -85.2032 PRESSAVG: 1247600 58.801 14.6456 -9.74651 14.6455 4.13206 -36.6179 -9.74645 -36.618 -42.1812 GPRESSAVG: 1247600 59.8528 14.1316 -8.70811 15.0642 2.87445 -35.492 -10.4971 -36.9917 -42.1485 TIMING: 1247600 CPU: 3719.06, 0.00296904/step Wall: 3719.06, 0.00296904/step, 3.09473 hours remaining, 206.507812 MB of memory in use. ENERGY: 1247600 768.3450 2131.9353 1919.2571 103.5759 -205680.4729 17589.6909 0.0000 0.0000 34284.4134 -148883.2553 299.4143 -183167.6687 -148794.3627 300.3010 -112.2961 -78.4635 558626.3582 6.9173 6.8596 PRESSURE: 1247800 -69.8007 -24.335 -148.365 -24.3347 -120.934 -142.993 -148.366 -142.994 -170.256 GPRESSURE: 1247800 -33.4601 -3.64886 -125.803 -15.6182 -71.2981 -92.3796 -222.836 -107.866 -158.78 PRESSAVG: 1247800 18.4617 24.9558 61.1174 24.9557 -76.1691 -27.172 61.1173 -27.172 11.0848 GPRESSAVG: 1247800 18.7281 25.2555 60.3242 27.6408 -75.2367 -28.842 58.5072 -25.9606 10.3306 TIMING: 1247800 CPU: 3719.65, 0.00298576/step Wall: 3719.65, 0.00298576/step, 3.11199 hours remaining, 206.507812 MB of memory in use. ENERGY: 1247800 749.4283 2119.7831 1892.6086 109.9604 -205980.4432 17721.4833 0.0000 0.0000 34342.5579 -149044.6216 299.9221 -183387.1796 -148958.9202 300.2162 -120.3305 -87.8461 557521.8275 -15.5408 -15.3927 PRESSURE: 1248000 49.891 -101.05 -102.02 -101.05 167.841 71.9037 -102.022 71.9036 -40.5863 GPRESSURE: 1248000 39.2394 -90.6497 -20.4471 -59.1234 283.686 69.102 -193.808 15.9629 -45.0191 PRESSAVG: 1248000 -33.7553 -8.80718 3.61418 -8.80724 -33.2066 34.9237 3.61419 34.9238 46.8435 GPRESSAVG: 1248000 -34.8569 -7.39626 5.39408 -10.8939 -32.2131 37.031 6.1714 33.3664 47.4402 TIMING: 1248000 CPU: 3720.25, 0.00298578/step Wall: 3720.25, 0.00298578/step, 3.11185 hours remaining, 206.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1248000 703.7072 2094.9359 1901.9605 103.3741 -205762.6920 17720.4110 0.0000 0.0000 34207.3285 -149030.9749 298.7411 -183238.3034 -148928.4183 300.1839 59.0485 92.6355 556486.6159 -6.7061 -6.5432 PRESSURE: 1248200 -79.4387 124.923 -128.337 124.924 -177.541 39.4376 -128.337 39.4374 44.737 GPRESSURE: 1248200 -52.5832 53.4505 -183.774 242.323 -158.577 3.39282 -111.227 4.77659 102.635 PRESSAVG: 1248200 -60.195 48.8219 6.27933 48.8219 26.6073 -1.07312 6.27936 -1.07321 -15.7551 GPRESSAVG: 1248200 -57.4754 49.3998 4.66736 47.8892 25.1524 -3.04902 5.21649 1.6128 -17.6104 TIMING: 1248200 CPU: 3720.85, 0.00297454/step Wall: 3720.85, 0.00297454/step, 3.09997 hours remaining, 206.507812 MB of memory in use. ENERGY: 1248200 731.3254 2077.3809 1929.2876 120.5961 -205887.2658 17599.7232 0.0000 0.0000 34322.1124 -149106.8404 299.7435 -183428.9528 -149011.2255 300.0058 -70.7475 -36.1751 556644.7170 -16.4476 -16.6445 LDB: ============= START OF LOAD BALANCING ============== 3724.39 LDB: ============== END OF LOAD BALANCING =============== 3724.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3724.39 LDB: ============= START OF LOAD BALANCING ============== 3724.69 LDB: Largest compute 4773 load 0.028795 is 24.4% of average load 0.118167 LDB: Average compute 0.001723 is 1.5% of average load 0.118167 LDB: TIME 3724.7 LOAD: AVG 0.118167 MAX 0.208018 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.508 MB LDB: TIME 3724.7 LOAD: AVG 0.118167 MAX 0.208018 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.508 MB LDB: TIME 3724.7 LOAD: AVG 0.118167 MAX 0.208018 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.508 MB LDB: ============== END OF LOAD BALANCING =============== 3724.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3724.7 PRESSURE: 1248400 -256.397 223.494 0.811613 223.493 75.8848 -23.3797 0.81114 -23.3795 16.2779 GPRESSURE: 1248400 -238.576 154.098 78.559 244.532 78.4282 -36.9955 91.125 -48.3603 100.928 PRESSAVG: 1248400 -100.566 115.485 -48.1074 115.485 42.7139 -34.8292 -48.1074 -34.8294 36.606 GPRESSAVG: 1248400 -101.728 112.608 -47.0012 117.082 43.4377 -35.8658 -47.57 -35.8491 36.6617 TIMING: 1248400 CPU: 3721.45, 0.00303492/step Wall: 3721.45, 0.00303492/step, 3.16272 hours remaining, 206.507812 MB of memory in use. ENERGY: 1248400 755.8900 2116.7770 1915.4425 107.8517 -206307.9249 17646.2544 0.0000 0.0000 34449.8089 -149315.9004 300.8587 -183765.7093 -149213.4569 299.4509 -54.7448 -19.7399 556318.9524 -7.0822 -7.2096 PRESSURE: 1248600 276.454 253.179 -27.3028 253.179 -53.1121 -114.706 -27.3011 -114.707 -102.37 GPRESSURE: 1248600 341.23 298.149 3.57655 174.998 -1.03755 -234.848 -88.2548 -138.923 -122.288 PRESSAVG: 1248600 22.6534 27.6802 -6.95154 27.6802 10.7308 -86.1161 -6.95155 -86.1161 -43.5719 GPRESSAVG: 1248600 21.8963 27.5801 -7.49153 25.5518 10.01 -85.1082 -5.80874 -88.0284 -41.8839 TIMING: 1248600 CPU: 3722.05, 0.00298416/step Wall: 3722.05, 0.00298416/step, 3.10966 hours remaining, 206.707031 MB of memory in use. ENERGY: 1248600 738.6879 2103.7070 1919.7573 110.1261 -206407.1001 17878.2902 0.0000 0.0000 34286.8162 -149369.7153 299.4353 -183656.5315 -149273.2182 299.4928 40.3241 72.6347 554867.8221 -3.3959 -3.3258 PRESSURE: 1248800 -4.20076 58.0576 -171.853 58.059 -284.143 -28.9355 -171.852 -28.9362 88.8698 GPRESSURE: 1248800 -2.46128 19.3374 -111.851 105.744 -260.332 7.02404 -140.842 4.76346 164.656 PRESSAVG: 1248800 4.09511 -5.3174 6.06513 -5.31736 -60.8516 -26.8952 6.06523 -26.8952 59.8907 GPRESSAVG: 1248800 4.49029 -2.97517 4.65222 -3.83933 -60.3924 -27.334 5.36816 -26.1589 59.1085 TIMING: 1248800 CPU: 3722.64, 0.00297603/step Wall: 3722.64, 0.00297603/step, 3.10102 hours remaining, 206.707031 MB of memory in use. ENERGY: 1248800 757.9048 2084.5789 1943.0794 104.3879 -206550.4298 17830.4944 0.0000 0.0000 34452.4557 -149377.5286 300.8819 -183829.9843 -149277.1612 299.1523 -66.4913 -32.7123 556841.7544 1.0447 1.0688 PRESSURE: 1249000 -154.924 -69.9798 -71.4145 -69.9814 -199.952 -185.001 -71.4142 -185.001 -172.561 GPRESSURE: 1249000 -136.245 -95.7786 -116.246 -47.9902 -157.666 -199.584 -46.6108 -191.506 -123.091 PRESSAVG: 1249000 5.81541 25.5412 17.5611 25.5412 -30.6165 -36.0355 17.5611 -36.0355 3.95386 GPRESSAVG: 1249000 5.6844 26.0379 17.658 25.1859 -30.4598 -36.4205 17.9348 -35.742 4.05448 TIMING: 1249000 CPU: 3723.24, 0.00297926/step Wall: 3723.24, 0.00297926/step, 3.10423 hours remaining, 206.707031 MB of memory in use. ENERGY: 1249000 805.8076 2079.7515 1915.7041 104.7619 -205961.8703 17691.3259 0.0000 0.0000 34242.2703 -149122.2490 299.0463 -183364.5193 -149027.0301 299.5504 -175.8122 -139.0007 557077.1020 -6.9491 -6.9070 PRESSURE: 1249200 76.8803 -113.508 -136.563 -113.51 56.2049 55.6166 -136.564 55.6171 -210.403 GPRESSURE: 1249200 118.644 -96.0518 -137.891 -118.118 75.5061 -17.0311 -116.767 110.041 -168.408 PRESSAVG: 1249200 83.4179 -28.8483 -4.27949 -28.8482 -3.12264 -23.8972 -4.27957 -23.8973 -42.4814 GPRESSAVG: 1249200 84.1307 -29.0144 -2.35736 -27.9639 -3.60294 -24.685 -5.23913 -22.856 -42.5255 TIMING: 1249200 CPU: 3723.84, 0.0029751/step Wall: 3723.84, 0.0029751/step, 3.09972 hours remaining, 206.707031 MB of memory in use. ENERGY: 1249200 732.7404 2172.5899 1936.2440 122.5567 -205898.6609 17599.8245 0.0000 0.0000 34366.1257 -148968.5797 300.1279 -183334.7054 -148864.1921 300.1107 -25.7726 8.5807 557043.5028 12.6046 12.6674 PRESSURE: 1249400 -161.629 289.863 -102.042 289.863 18.0374 190.573 -102.042 190.572 376.917 GPRESSURE: 1249400 -123.641 307.21 -138.64 230.879 26.8224 234.549 -83.571 104.229 418.68 PRESSAVG: 1249400 -33.9131 -26.4017 -80.1433 -26.4017 38.1207 -12.0371 -80.1433 -12.0372 -5.81336 GPRESSAVG: 1249400 -33.9453 -26.842 -80.1466 -28.7257 37.8682 -12.3942 -78.7662 -12.329 -5.64431 TIMING: 1249400 CPU: 3724.43, 0.00297053/step Wall: 3724.43, 0.00297053/step, 3.0948 hours remaining, 206.707031 MB of memory in use. ENERGY: 1249400 731.9495 2159.5253 1918.3025 129.8290 -206074.4262 17781.2186 0.0000 0.0000 34376.9887 -148976.6126 300.2228 -183353.6013 -148882.8406 300.1185 77.7750 107.2872 556890.3140 -0.5352 -0.5738 PRESSURE: 1249600 50.8187 -38.2596 13.0992 -38.2598 199.717 280.46 13.0995 280.462 179.03 GPRESSURE: 1249600 85.0229 35.6276 62.8169 9.3556 230.661 326.519 -21.8929 303.505 212.944 PRESSAVG: 1249600 -12.1413 16.8325 -7.84525 16.8325 66.445 15.6904 -7.84523 15.6905 8.66079 GPRESSAVG: 1249600 -12.6419 16.5285 -8.38538 18.208 65.4576 17.7719 -9.00895 12.3797 9.68856 TIMING: 1249600 CPU: 3725.03, 0.00298882/step Wall: 3725.03, 0.00298882/step, 3.11368 hours remaining, 206.707031 MB of memory in use. ENERGY: 1249600 779.5712 2080.6703 1943.1612 113.2740 -206360.7494 17945.2060 0.0000 0.0000 34297.8761 -149200.9906 299.5319 -183498.8666 -149110.5330 300.2580 143.1886 176.2092 556444.5379 20.9882 20.8348 PRESSURE: 1249800 -213.656 61.5605 -44.9192 61.5598 95.8897 7.99576 -44.9204 7.99521 -62.0544 GPRESSURE: 1249800 -204.943 83.0866 -71.2298 116.746 143.627 -20.8023 -8.03867 109.996 -25.1645 PRESSAVG: 1249800 -13.0196 -17.993 -54.7226 -17.9931 30.3939 59.5189 -54.7226 59.5189 -50.1184 GPRESSAVG: 1249800 -12.0116 -18.6072 -53.5125 -17.6021 30.7564 57.7613 -54.8488 62.907 -50.9069 TIMING: 1249800 CPU: 3725.62, 0.00298726/step Wall: 3725.62, 0.00298726/step, 3.1119 hours remaining, 206.707031 MB of memory in use. ENERGY: 1249800 709.7533 2183.6427 1902.0691 107.6378 -206241.9668 17682.4147 0.0000 0.0000 34504.1042 -149152.3450 301.3329 -183656.4492 -149053.0383 300.0331 -59.9403 -28.8269 557689.3458 -10.9147 -10.7207 PRESSURE: 1250000 24.6071 -72.4281 -28.8537 -72.4278 -262.541 124.989 -28.8548 124.987 -193.096 GPRESSURE: 1250000 40.219 -105.011 -16.9741 -70.4464 -194.33 186.05 -70.78 50.1871 -186.75 PRESSAVG: 1250000 24.386 30.4572 -17.7523 30.4573 -8.2686 71.1631 -17.7523 71.163 -46.8798 GPRESSAVG: 1250000 23.9291 30.4601 -18.5312 29.9464 -7.40341 73.6593 -16.8254 67.7181 -46.7218 TIMING: 1250000 CPU: 3726.23, 0.0030027/step Wall: 3726.23, 0.0030027/step, 3.12781 hours remaining, 206.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1250000 768.5812 2086.7648 1928.4486 107.6570 -205863.6876 17565.8787 0.0000 0.0000 34168.4564 -149237.9010 298.4016 -183406.3574 -149144.0215 299.5654 -143.6768 -113.6203 558867.3270 -10.2541 -10.0654 PRESSURE: 1250200 22.7118 53.3397 33.0962 53.3396 70.0602 -91.9558 33.0952 -91.9563 33.1373 GPRESSURE: 1250200 63.3483 71.1093 -47.1632 145.835 129.297 -43.2556 76.1216 -42.4491 53.0623 PRESSAVG: 1250200 9.33613 -13.4124 -24.0729 -13.4124 14.4509 24.0363 -24.0729 24.0362 -39.5954 GPRESSAVG: 1250200 9.45728 -13.9378 -27.1187 -11.3955 14.876 23.5279 -22.8015 26.4426 -40.1418 TIMING: 1250200 CPU: 3726.82, 0.00299458/step Wall: 3726.82, 0.00299458/step, 3.11919 hours remaining, 206.707031 MB of memory in use. ENERGY: 1250200 793.4858 2079.8121 1931.8896 106.4192 -206621.9703 17958.9860 0.0000 0.0000 34405.5731 -149345.8045 300.4724 -183751.3776 -149247.4459 299.4020 41.9698 81.9026 556430.7133 -5.2695 -5.2695 PRESSURE: 1250400 165.312 175.488 -57.83 175.488 -114.294 -92.2261 -57.8288 -92.2259 144.435 GPRESSURE: 1250400 203.79 85.0678 -93.1992 129.193 -82.3699 -12.6081 40.8919 -140.76 187.802 PRESSAVG: 1250400 -22.5873 -27.8964 -4.48207 -27.8964 -20.3322 16.7187 -4.48197 16.7186 29.1021 GPRESSAVG: 1250400 -22.2795 -27.6769 -0.897164 -29.2336 -21.749 15.7209 -4.2997 16.9813 30.2354 TIMING: 1250400 CPU: 3727.42, 0.00298781/step Wall: 3727.42, 0.00298781/step, 3.11197 hours remaining, 206.707031 MB of memory in use. ENERGY: 1250400 755.0864 2100.6702 1907.3190 114.1644 -206615.6921 17993.2899 0.0000 0.0000 34421.9804 -149323.1818 300.6157 -183745.1622 -149223.9721 299.2104 65.1510 103.0741 556947.3053 -4.6058 -4.5977 PRESSURE: 1250600 -58.9527 215.839 16.8365 215.838 -133.676 163.739 16.8377 163.74 -94.5206 GPRESSURE: 1250600 -103.001 132.611 88.2199 211.108 -63.7818 170.251 -111.306 224.582 -19.6896 PRESSAVG: 1250600 -20.5051 23.9429 -2.30769 23.9429 -10.4278 -16.7602 -2.3078 -16.7602 4.27684 GPRESSAVG: 1250600 -20.483 24.7764 -2.96409 23.7622 -11.0768 -15.1983 -3.24897 -17.2724 4.56504 TIMING: 1250600 CPU: 3728.02, 0.00297771/step Wall: 3728.02, 0.00297771/step, 3.10129 hours remaining, 206.707031 MB of memory in use. ENERGY: 1250600 707.0838 2076.5057 1908.5536 109.4646 -206128.8982 17739.7409 0.0000 0.0000 34225.8354 -149361.7141 298.9027 -183587.5495 -149258.2117 299.2652 -95.7166 -62.1576 558319.9516 -8.8854 -8.9983 PRESSURE: 1250800 -14.6986 168.953 -49.3168 168.952 -16.6691 -37.0903 -49.3151 -37.0896 -178.501 GPRESSURE: 1250800 -8.09721 147.361 -17.592 131.294 -15.1956 -18.8416 -9.76977 -69.3181 -106.46 PRESSAVG: 1250800 -15.0248 34.5264 -8.91823 34.5264 6.45707 22.8233 -8.91816 22.8235 8.17835 GPRESSAVG: 1250800 -15.4343 35.6289 -7.58856 34.886 7.03064 21.6945 -9.2612 23.041 7.48777 TIMING: 1250800 CPU: 3728.61, 0.00297462/step Wall: 3728.61, 0.00297462/step, 3.0979 hours remaining, 206.707031 MB of memory in use. ENERGY: 1250800 778.3968 2044.4468 1930.8239 113.1831 -206479.4445 17859.1518 0.0000 0.0000 34302.3776 -149451.0644 299.5712 -183753.4420 -149354.3552 299.3577 -69.9561 -43.2509 559100.1975 -0.1298 -0.3053 PRESSURE: 1251000 -41.0915 111.068 128.583 111.068 11.1387 -61.5275 128.582 -61.5287 -17.1181 GPRESSURE: 1251000 -1.37469 -29.7282 131.856 140.734 47.2866 -11.5069 8.12467 -124.368 -2.8791 PRESSAVG: 1251000 -29.6187 7.60152 41.4657 7.60147 -5.97861 -33.5728 41.4656 -33.5727 57.761 GPRESSAVG: 1251000 -29.2438 7.12893 40.0799 5.99191 -6.92583 -33.2959 42.5061 -32.0858 57.438 TIMING: 1251000 CPU: 3729.21, 0.0029755/step Wall: 3729.21, 0.0029755/step, 3.09865 hours remaining, 206.910156 MB of memory in use. ENERGY: 1251000 740.6777 2072.5743 1896.3988 121.4297 -206103.6116 17683.6400 0.0000 0.0000 34067.6085 -149521.2826 297.5209 -183588.8912 -149426.4526 298.9349 -15.6903 14.3443 558204.4031 7.3879 7.0894 PRESSURE: 1251200 102.308 64.0279 -8.65442 64.0277 202.138 -1.66651 -8.65465 -1.66587 142.611 GPRESSURE: 1251200 88.5358 71.2203 8.56202 14.6144 270.146 44.2719 -52.6681 10.3615 193.42 PRESSAVG: 1251200 15.1621 -30.1968 -33.5701 -30.1967 -59.4739 29.612 -33.57 29.6119 96.9805 GPRESSAVG: 1251200 15.2135 -31.6962 -33.9314 -28.6334 -58.9839 28.5354 -33.5901 29.2734 96.4049 TIMING: 1251200 CPU: 3729.81, 0.00300339/step Wall: 3729.81, 0.00300339/step, 3.12753 hours remaining, 206.910156 MB of memory in use. ENERGY: 1251200 749.6642 2055.2023 1935.0547 122.0559 -206441.9933 18026.7931 0.0000 0.0000 34026.9350 -149526.2881 297.1657 -183553.2231 -149427.9605 298.7574 149.0191 184.0339 556288.0013 17.5562 17.5448 PRESSURE: 1251400 179.38 -153.161 -102.51 -153.16 58.2716 -106.186 -102.511 -106.186 -79.5832 GPRESSURE: 1251400 201.651 -164.051 -64.4771 -147.611 46.1531 -46.3039 -144.865 -128.206 -2.85894 PRESSAVG: 1251400 25.3472 30.3682 -45.6394 30.3682 7.5124 36.3049 -45.6394 36.3048 -13.4449 GPRESSAVG: 1251400 24.685 31.7219 -44.8108 30.048 8.39266 37.358 -47.5612 36.88 -13.6767 TIMING: 1251400 CPU: 3730.4, 0.002967/step Wall: 3730.4, 0.002967/step, 3.08947 hours remaining, 206.910156 MB of memory in use. ENERGY: 1251400 742.4198 2139.3758 1915.0789 118.6543 -206579.9844 17894.2540 0.0000 0.0000 33981.1930 -149789.0085 296.7662 -183770.2015 -149698.9491 297.8352 52.6893 81.6484 557577.7917 6.4716 6.4670 PRESSURE: 1251600 80.0872 -168.028 2.19434 -168.028 132.773 -18.9411 2.1946 -18.939 -167.33 GPRESSURE: 1251600 193.806 -154.067 28.5702 -138.22 161.815 -23.0452 -51.1796 20.4691 -209.034 PRESSAVG: 1251600 -9.4094 -69.1469 -30.2766 -69.1469 -0.419128 -3.94997 -30.2765 -3.94992 20.5096 GPRESSAVG: 1251600 -7.65962 -69.7161 -31.7087 -68.538 -1.67549 -5.88632 -27.5818 -5.64843 19.9179 TIMING: 1251600 CPU: 3730.99, 0.0029491/step Wall: 3730.99, 0.0029491/step, 3.07067 hours remaining, 206.910156 MB of memory in use. ENERGY: 1251600 769.7443 2154.9974 1922.1909 116.2999 -206736.2290 17936.9131 0.0000 0.0000 34076.4045 -149759.6788 297.5977 -183836.0834 -149665.3168 297.1947 15.1768 48.8623 557459.5016 3.5603 3.5276 PRESSURE: 1251800 10.6411 155.435 -224.329 155.435 -94.6538 18.0287 -224.329 18.0302 31.1156 GPRESSURE: 1251800 -22.7988 89.8388 -195.782 256.462 -73.1118 -38.9257 -301.47 -36.6106 135.689 PRESSAVG: 1251800 -53.7774 24.9803 1.19107 24.9802 50.2596 -35.4615 1.1911 -35.4614 35.2037 GPRESSAVG: 1251800 -55.8037 25.5393 1.52635 26.5237 51.3047 -37.465 -0.106217 -33.5227 35.6861 TIMING: 1251800 CPU: 3731.59, 0.00297419/step Wall: 3731.59, 0.00297419/step, 3.09662 hours remaining, 206.910156 MB of memory in use. ENERGY: 1251800 736.2271 2059.4171 1917.2328 111.8408 -206546.6445 17743.5935 0.0000 0.0000 34171.0747 -149807.2585 298.4245 -183978.3332 -149708.4076 297.7707 -17.6323 13.2595 556784.3259 10.5620 10.3957 PRESSURE: 1252000 94.2023 -55.096 -3.18526 -55.096 197.469 -42.2998 -3.18679 -42.2992 -56.8108 GPRESSURE: 1252000 95.3642 -109.664 -17.7296 -14.381 257.516 -131.704 18.3189 134.616 -26.9861 PRESSAVG: 1252000 2.90446 16.5583 -3.10039 16.5583 11.8833 17.3978 -3.10046 17.3979 -9.02871 GPRESSAVG: 1252000 2.58716 16.4192 -2.81482 13.7658 11.9729 18.4867 -3.48391 16.6204 -8.39148 TIMING: 1252000 CPU: 3732.18, 0.00298365/step Wall: 3732.18, 0.00298365/step, 3.10631 hours remaining, 206.910156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1252000 754.5774 2056.7992 1950.7420 102.6787 -207147.6267 18203.9039 0.0000 0.0000 34064.6335 -150014.2921 297.4949 -184078.9256 -149919.0414 297.6172 78.2868 108.6314 557661.8300 1.9197 2.0562 PRESSURE: 1252200 -206.651 -25.6209 0.0965754 -25.6212 34.8211 9.25699 0.0959885 9.25721 -62.3609 GPRESSURE: 1252200 -143.352 78.0024 78.8834 -80.8954 44.5836 50.9743 -3.97923 -26.5413 -43.4275 PRESSAVG: 1252200 9.3247 -6.50813 4.34478 -6.50811 21.4848 -30.7485 4.34475 -30.7484 12.7177 GPRESSAVG: 1252200 11.1354 -6.97079 4.42214 -5.98962 20.2761 -29.9949 3.9331 -32.7194 11.7549 TIMING: 1252200 CPU: 3732.78, 0.00297807/step Wall: 3732.78, 0.00297807/step, 3.10034 hours remaining, 206.910156 MB of memory in use. ENERGY: 1252200 756.4158 2102.4444 1939.0552 101.0638 -206844.3983 17909.2301 0.0000 0.0000 34185.4615 -149850.7275 298.5501 -184036.1890 -149754.0669 297.5722 -78.0635 -47.3986 557621.3730 14.5090 14.3888 LDB: ============= START OF LOAD BALANCING ============== 3736.33 LDB: ============== END OF LOAD BALANCING =============== 3736.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3736.33 LDB: ============= START OF LOAD BALANCING ============== 3736.63 LDB: Largest compute 4773 load 0.028523 is 24.1% of average load 0.118117 LDB: Average compute 0.001722 is 1.5% of average load 0.118117 LDB: TIME 3736.63 LOAD: AVG 0.118117 MAX 0.206932 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.734 MB LDB: TIME 3736.63 LOAD: AVG 0.118117 MAX 0.206932 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.793 MB LDB: TIME 3736.63 LOAD: AVG 0.118117 MAX 0.206932 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.793 MB LDB: ============== END OF LOAD BALANCING =============== 3736.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3736.63 PRESSURE: 1252400 -156.238 -96.3295 -70.0054 -96.3298 -103.796 75.7229 -70.005 75.7237 -105.293 GPRESSURE: 1252400 -120.589 -46.6098 -76.302 -195.99 -79.7483 85.2787 -101.761 47.3159 -74.6581 PRESSAVG: 1252400 -40.2823 -33.0775 -28.4046 -33.0776 8.66487 -21.4237 -28.4047 -21.4237 3.81085 GPRESSAVG: 1252400 -40.1672 -31.7796 -29.7459 -32.6412 8.57014 -21.5941 -30.1472 -21.8289 3.93912 TIMING: 1252400 CPU: 3733.38, 0.00302894/step Wall: 3733.38, 0.00302893/step, 3.15312 hours remaining, 207.222656 MB of memory in use. ENERGY: 1252400 742.1555 2035.4234 1945.4879 127.2295 -206585.3758 17868.7999 0.0000 0.0000 34306.5208 -149559.7588 299.6074 -183866.2796 -149468.2827 298.2435 -121.7756 -91.6652 558214.9676 -9.2689 -9.2193 PRESSURE: 1252600 50.8632 8.26739 28.5209 8.26704 -84.6576 -37.245 28.5203 -37.2457 -274.989 GPRESSURE: 1252600 66.0292 -78.285 -21.1973 64.9363 -101.811 -32.2112 -4.68794 -66.6001 -175.348 PRESSAVG: 1252600 -61.6773 3.74276 -49.2354 3.74277 -0.349734 83.6495 -49.2352 83.6494 43.7989 GPRESSAVG: 1252600 -62.8204 1.98347 -49.6168 2.82602 -0.466607 84.1307 -46.687 84.2771 45.0796 TIMING: 1252600 CPU: 3733.98, 0.00298436/step Wall: 3733.98, 0.00298436/step, 3.10655 hours remaining, 207.730469 MB of memory in use. ENERGY: 1252600 735.2177 2061.6052 1899.4462 115.9659 -206299.7755 17716.4590 0.0000 0.0000 34055.8151 -149715.2665 297.4179 -183771.0816 -149616.2182 298.9766 -102.9277 -70.3767 558168.8698 -6.0761 -6.0692 PRESSURE: 1252800 174.29 4.78399 -10.5347 4.78452 -1.78224 139.977 -10.5346 139.979 -121.371 GPRESSURE: 1252800 224.683 19.3631 -57.1849 13.4483 40.8615 62.0656 -36.2765 111.92 -104.698 PRESSAVG: 1252800 77.2455 48.7519 4.01662 48.7519 -1.65972 117.46 4.01669 117.46 -56.1836 GPRESSAVG: 1252800 77.9096 49.0383 4.94365 49.6567 -2.54877 117.21 2.49646 116.963 -56.2003 TIMING: 1252800 CPU: 3734.58, 0.00301524/step Wall: 3734.58, 0.00301524/step, 3.13853 hours remaining, 207.730469 MB of memory in use. ENERGY: 1252800 755.0989 2071.2208 1923.4960 113.3780 -206777.4651 18061.0742 0.0000 0.0000 34229.7631 -149623.4342 298.9370 -183853.1973 -149527.7237 298.3028 17.0457 53.6154 557650.6800 6.4674 6.3868 PRESSURE: 1253000 -99.206 -181.055 60.6702 -181.056 -244.51 108.968 60.6704 108.969 -68.0048 GPRESSURE: 1253000 -88.6781 -153.205 191.408 -112.077 -153.275 53.7901 -36.8083 159.266 -65.0614 PRESSAVG: 1253000 53.7766 -20.3935 -9.56279 -20.3935 -62.2461 35.1167 -9.56267 35.1166 -17.4173 GPRESSAVG: 1253000 55.1699 -18.8612 -9.28264 -22.867 -61.6834 34.1036 -10.224 35.3916 -19.6853 TIMING: 1253000 CPU: 3735.18, 0.00298592/step Wall: 3735.18, 0.00298592/step, 3.10784 hours remaining, 207.730469 MB of memory in use. ENERGY: 1253000 772.8186 2117.7536 1924.8323 107.9788 -206464.3576 17913.9258 0.0000 0.0000 34081.1848 -149545.8636 297.6395 -183627.0484 -149445.0522 298.5177 -137.2402 -102.3380 557185.3867 -8.6289 -8.7329 PRESSURE: 1253200 -264.087 147.998 42.9148 147.997 -50.9481 47.1193 42.9144 47.1198 -162.173 GPRESSURE: 1253200 -233.338 157.754 39.3788 126.724 -24.4184 -13.2783 -16.0674 104.954 -136.181 PRESSAVG: 1253200 -18.2374 10.053 -17.0797 10.053 30.0857 6.26898 -17.0797 6.26903 43.4023 GPRESSAVG: 1253200 -19.6228 10.6122 -14.9593 10.3652 29.1476 6.68275 -16.2292 6.58865 45.2547 TIMING: 1253200 CPU: 3735.77, 0.00296618/step Wall: 3735.77, 0.00296618/step, 3.08714 hours remaining, 207.730469 MB of memory in use. ENERGY: 1253200 741.4959 2084.5339 1928.3708 112.2791 -206181.5260 17583.0080 0.0000 0.0000 34223.4348 -149508.4035 298.8818 -183731.8383 -149408.9073 298.6075 -159.0691 -131.3124 557243.6611 18.4169 18.2598 PRESSURE: 1253400 -187.282 78.8582 25.7631 78.8565 -200.002 8.28878 25.7633 8.28905 -23.4194 GPRESSURE: 1253400 -203.05 140.731 8.51227 75.0352 -197.718 11.1894 36.2782 84.9777 84.514 PRESSAVG: 1253400 -15.7723 13.1777 -10.629 13.1777 -42.3324 16.7519 -10.629 16.7517 65.8644 GPRESSAVG: 1253400 -15.9478 11.5818 -12.689 14.4769 -41.2564 17.488 -11.1058 16.3855 64.4583 TIMING: 1253400 CPU: 3736.37, 0.00297093/step Wall: 3736.37, 0.00297093/step, 3.09192 hours remaining, 207.730469 MB of memory in use. ENERGY: 1253400 737.3334 2026.2328 1924.6661 115.3762 -206577.9710 17871.2018 0.0000 0.0000 34514.4648 -149388.6959 301.4234 -183903.1607 -149283.7643 299.0433 -136.9009 -105.4180 557477.6175 2.5866 2.4180 PRESSURE: 1253600 -121.912 -70.2448 -93.682 -70.2446 252.564 -12.5572 -93.6815 -12.557 -195.821 GPRESSURE: 1253600 -43.6261 -36.4744 -55.7962 -54.6767 231.221 -119.777 -92.0647 12.3062 -154.851 PRESSAVG: 1253600 38.3357 54.8242 60.1697 54.8241 -17.058 0.0795765 60.1696 0.079576 -23.0894 GPRESSAVG: 1253600 37.9084 56.0247 59.3021 54.3942 -17.1967 -0.594169 60.6345 -0.362799 -22.5794 TIMING: 1253600 CPU: 3736.96, 0.00297107/step Wall: 3736.96, 0.00297107/step, 3.09189 hours remaining, 207.730469 MB of memory in use. ENERGY: 1253600 763.5171 2129.7479 1921.3276 106.8469 -206125.8195 17782.3593 0.0000 0.0000 34176.4755 -149245.5451 298.4717 -183422.0206 -149155.8647 299.5278 -21.7230 10.9145 557434.7142 -0.6039 -0.6226 PRESSURE: 1253800 -49.6382 -13.1233 -53.8638 -13.1225 -67.6922 -224.911 -53.8632 -224.909 251.357 GPRESSURE: 1253800 -14.97 -7.0717 -3.70085 -65.8144 -12.545 -174.6 -18.6147 -271.029 258.792 PRESSAVG: 1253800 11.6412 -26.7785 27.0452 -26.7785 -26.8041 -25.4533 27.0452 -25.4531 11.2382 GPRESSAVG: 1253800 11.1627 -27.1529 29.3371 -26.3023 -27.3173 -26.0673 28.1977 -23.9051 12.1975 TIMING: 1253800 CPU: 3737.56, 0.0029834/step Wall: 3737.56, 0.0029834/step, 3.10456 hours remaining, 207.730469 MB of memory in use. ENERGY: 1253800 744.3029 2163.6702 1897.9478 114.2172 -206224.4211 17845.5370 0.0000 0.0000 34384.6267 -149074.1193 300.2895 -183458.7461 -148978.6724 299.7269 44.6756 77.0924 558765.2076 -1.3083 -1.3190 PRESSURE: 1254000 -62.6717 -144.982 -99.4693 -144.982 143.655 149.527 -99.4697 149.529 -17.7888 GPRESSURE: 1254000 -21.6017 -160.408 -45.5801 -102.846 190.978 237.496 -98.1609 144.584 -2.55618 PRESSAVG: 1254000 18.3128 -5.12531 50.9852 -5.12537 5.6228 -13.5944 50.9851 -13.5944 -92.1567 GPRESSAVG: 1254000 18.1068 -6.6648 50.5266 -4.21635 6.22708 -12.397 49.3136 -15.6364 -92.6687 TIMING: 1254000 CPU: 3738.15, 0.00295978/step Wall: 3738.15, 0.00295978/step, 3.07982 hours remaining, 207.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1254000 760.9819 2091.4939 1898.3047 127.9314 -206405.8649 17920.1705 0.0000 0.0000 34213.6384 -149393.3442 298.7962 -183606.9826 -149298.5655 299.7709 21.0647 55.6066 557090.7235 -22.7404 -22.7783 PRESSURE: 1254200 17.1507 -24.9117 61.9794 -24.9116 169.117 -52.5377 61.9794 -52.5373 86.2005 GPRESSURE: 1254200 42.3639 -5.46494 52.4316 -28.7411 173.802 -169.367 -23.8259 60.3793 150.681 PRESSAVG: 1254200 -5.33608 9.02773 -29.267 9.02761 17.4821 -11.6152 -29.267 -11.6151 2.65055 GPRESSAVG: 1254200 -4.35198 7.62384 -29.3779 9.48199 16.9708 -12.3904 -29.0011 -10.3139 2.05778 TIMING: 1254200 CPU: 3738.75, 0.00297141/step Wall: 3738.75, 0.00297141/step, 3.09175 hours remaining, 207.730469 MB of memory in use. ENERGY: 1254200 706.2974 2146.9912 1923.6529 112.7953 -206378.1562 17999.3092 0.0000 0.0000 34086.5680 -149402.5422 297.6865 -183489.1102 -149310.4544 299.2226 90.8229 122.2821 557075.7869 4.9322 4.8922 PRESSURE: 1254400 43.8068 79.5289 -93.4285 79.5285 -196.792 -75.7617 -93.4283 -75.7602 133.182 GPRESSURE: 1254400 16.9847 127.423 -138.282 -0.731539 -171.085 -112.725 -20.0259 -58.2496 224.525 PRESSAVG: 1254400 10.6439 2.86007 -20.7337 2.86008 -22.394 -53.1631 -20.7337 -53.1629 51.977 GPRESSAVG: 1254400 10.9276 4.81575 -21.4823 1.33997 -23.869 -53.8679 -20.1792 -51.4107 52.9563 TIMING: 1254400 CPU: 3739.34, 0.00299147/step Wall: 3739.34, 0.00299147/step, 3.11246 hours remaining, 207.792969 MB of memory in use. ENERGY: 1254400 709.0025 2059.8019 1938.4747 116.1444 -206553.1969 17879.0605 0.0000 0.0000 34392.6636 -149458.0493 300.3597 -183850.7130 -149353.9534 299.1545 -6.6010 23.4747 558602.6777 13.4090 13.3383 PRESSURE: 1254600 -159.512 -66.2454 100.51 -66.2447 189.712 -20.9972 100.51 -20.9988 122.838 GPRESSURE: 1254600 -83.9223 -31.5141 112.115 -16.1783 179.597 69.6244 124.042 -41.5814 154.837 PRESSAVG: 1254600 6.74157 -9.98945 -12.0271 -9.98946 38.2282 -21.0735 -12.027 -21.0734 -14.3508 GPRESSAVG: 1254600 7.37128 -8.63185 -10.72 -11.9779 39.0015 -21.449 -11.7233 -22.2406 -15.4486 TIMING: 1254600 CPU: 3739.94, 0.0029837/step Wall: 3739.94, 0.0029837/step, 3.10421 hours remaining, 207.792969 MB of memory in use. ENERGY: 1254600 747.9564 2064.0470 1937.0209 109.9496 -206423.0829 17862.9193 0.0000 0.0000 34105.9452 -149595.2446 297.8557 -183701.1898 -149498.5734 298.6478 51.0128 83.5040 558244.4104 10.2063 10.3081 PRESSURE: 1254800 -75.2802 -17.8245 22.8844 -17.8258 15.8625 13.9656 22.8844 13.9656 -186.313 GPRESSURE: 1254800 -97.1699 -7.68912 -29.4666 39.6054 54.0167 -67.4761 63.6118 99.032 -113.596 PRESSAVG: 1254800 19.2135 44.4765 8.42177 44.4765 16.6428 25.2567 8.4218 25.2566 -36.5779 GPRESSAVG: 1254800 18.2952 43.9524 7.75056 46.3066 17.0108 24.7632 7.34466 25.5463 -36.2202 TIMING: 1254800 CPU: 3740.54, 0.00298666/step Wall: 3740.54, 0.00298666/step, 3.10713 hours remaining, 207.792969 MB of memory in use. ENERGY: 1254800 720.8036 2043.3378 1932.3204 121.2035 -206377.4496 17780.1918 0.0000 0.0000 34322.9677 -149456.6247 299.7510 -183779.5923 -149351.2448 297.9974 -81.9102 -52.2497 557921.1012 -0.2405 -0.3047 PRESSURE: 1255000 -372.155 -141.566 -7.25326 -141.565 149.718 64.29 -7.25311 64.2899 -13.071 GPRESSURE: 1255000 -316.699 -211.811 3.82319 -139.837 135.843 116.808 41.0573 33.8983 41.5611 PRESSAVG: 1255000 -46.5833 -5.84934 14.0905 -5.84932 36.0601 27.5056 14.0906 27.5057 11.2076 GPRESSAVG: 1255000 -46.658 -5.61628 13.6703 -8.56572 35.7114 28.8069 14.9059 29.0581 11.6807 TIMING: 1255000 CPU: 3741.14, 0.00301875/step Wall: 3741.14, 0.00301876/step, 3.14034 hours remaining, 207.792969 MB of memory in use. ENERGY: 1255000 706.8025 2093.5775 1942.3914 108.0933 -205890.7916 17451.4464 0.0000 0.0000 34264.5194 -149323.9610 299.2406 -183588.4805 -149224.9168 298.5396 -78.5026 -46.4317 557802.5607 0.2281 0.2447 PRESSURE: 1255200 -114.665 54.315 13.9951 54.3153 81.3599 26.3577 13.9944 26.3589 -207.549 GPRESSURE: 1255200 -98.706 73.3528 13.6778 -35.5898 72.4636 -40.551 -14.7118 24.4693 -116.329 PRESSAVG: 1255200 -30.8918 -61.212 61.647 -61.2121 -12.9785 17.2508 61.6471 17.2507 90.3819 GPRESSAVG: 1255200 -30.2919 -62.5603 61.8747 -58.4642 -13.455 16.6094 60.2137 13.5573 90.4623 TIMING: 1255200 CPU: 3741.74, 0.00298661/step Wall: 3741.74, 0.00298661/step, 3.10674 hours remaining, 207.792969 MB of memory in use. ENERGY: 1255200 749.4526 2063.0544 1945.3960 122.0158 -206071.5196 17668.3787 0.0000 0.0000 34272.3815 -149250.8406 299.3092 -183523.2222 -149155.5698 298.9443 -80.2847 -47.5239 556603.0968 15.5039 15.5718 PRESSURE: 1255400 -160.148 13.9324 123.328 13.9326 104.703 -38.4261 123.328 -38.4262 -68.855 GPRESSURE: 1255400 -145.469 -113.477 166.058 -11.6357 162.659 40.6778 27.5817 -104.214 -49.5441 PRESSAVG: 1255400 -39.9807 -52.6472 24.5642 -52.6471 13.9422 54.8805 24.5642 54.8806 10.9301 GPRESSAVG: 1255400 -40.2221 -52.0575 25.5711 -53.4187 14.2919 54.6933 25.4502 56.5691 10.4631 TIMING: 1255400 CPU: 3742.34, 0.00298499/step Wall: 3742.34, 0.00298499/step, 3.10489 hours remaining, 207.792969 MB of memory in use. ENERGY: 1255400 740.5600 2084.4319 1924.2376 107.0551 -206229.6296 17807.9247 0.0000 0.0000 34474.9090 -149090.5113 301.0780 -183565.4203 -148999.4901 299.9916 -41.4332 -10.7845 558853.6535 -5.0361 -5.1557 PRESSURE: 1255600 329.16 32.4397 32.3627 32.4387 124.232 -263.45 32.3624 -263.451 179.191 GPRESSURE: 1255600 365.696 -15.9083 2.6442 16.8472 135.052 -258.141 42.3867 -222.157 225.658 PRESSAVG: 1255600 -98.4379 -6.79716 -5.08908 -6.79728 39.9906 -6.09117 -5.08908 -6.09117 -2.02994 GPRESSAVG: 1255600 -98.5353 -8.78126 -5.28154 -4.72787 40.5599 -6.30566 -2.5003 -6.22945 -2.55229 TIMING: 1255600 CPU: 3742.93, 0.00298548/step Wall: 3742.93, 0.00298548/step, 3.10523 hours remaining, 207.792969 MB of memory in use. ENERGY: 1255600 769.3132 2032.5827 1947.9091 111.9601 -206436.0313 18131.6766 0.0000 0.0000 34371.8570 -149070.7325 300.1780 -183442.5895 -148981.9637 300.1327 210.8612 242.1353 556669.0092 -20.1591 -20.1759 PRESSURE: 1255800 18.1443 -4.67804 -21.4353 -4.6777 -6.38645 44.8931 -21.4363 44.8937 229.743 GPRESSURE: 1255800 55.5866 -14.5788 27.5786 -2.13636 47.1948 151.747 -3.3728 73.791 235.364 PRESSAVG: 1255800 -25.6726 -20.5913 -5.16248 -20.5913 22.4195 33.2271 -5.16252 33.2271 2.16171 GPRESSAVG: 1255800 -26.344 -16.0282 -7.2393 -22.8201 22.561 32.381 -7.03036 33.0182 2.11171 TIMING: 1255800 CPU: 3743.53, 0.00296279/step Wall: 3743.53, 0.00296279/step, 3.08147 hours remaining, 207.792969 MB of memory in use. ENERGY: 1255800 784.1630 2109.5204 1953.9961 121.2655 -206439.6340 17990.9237 0.0000 0.0000 34300.6641 -149179.1013 299.5562 -183479.7654 -149076.7965 300.1001 80.5004 112.7151 556577.2087 -0.3638 -0.5571 PRESSURE: 1256000 -100.329 2.25755 86.9199 2.25884 -291.177 -27.5371 86.9192 -27.5371 -76.6105 GPRESSURE: 1256000 -63.9218 36.2398 102.913 19.0601 -241.1 60.0942 50.1491 -73.2201 -63.814 PRESSAVG: 1256000 -61.2581 14.4064 55.5803 14.4065 39.8587 -0.649958 55.5802 -0.649865 -13.2434 GPRESSAVG: 1256000 -61.3584 13.9264 56.3622 12.8038 38.7392 0.326313 57.1005 -0.302076 -12.1986 TIMING: 1256000 CPU: 3744.12, 0.00299544/step Wall: 3744.12, 0.00299544/step, 3.11526 hours remaining, 207.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1256000 755.1182 2091.6926 1927.3484 110.2011 -206091.3604 17619.4806 0.0000 0.0000 34377.8481 -149209.6715 300.2303 -183587.5196 -149111.6756 299.6494 -156.0386 -122.9453 558492.2750 -11.5476 -11.6059 PRESSURE: 1256200 -147.827 -56.631 161.031 -56.6315 115.606 84.805 161.032 84.8054 -256.874 GPRESSURE: 1256200 -73.0625 -97.7372 155.947 -84.7301 150.486 58.6553 90.7497 84.5034 -287.718 PRESSAVG: 1256200 11.4879 -19.7774 8.45408 -19.7774 12.8203 8.15042 8.45409 8.15031 7.26941 GPRESSAVG: 1256200 11.4856 -21.1976 9.53737 -18.1942 13.131 7.85158 7.04203 7.79524 7.21602 TIMING: 1256200 CPU: 3744.73, 0.00300673/step Wall: 3744.73, 0.00300673/step, 3.12683 hours remaining, 207.792969 MB of memory in use. ENERGY: 1256200 736.2951 2159.5722 1902.0524 103.2060 -205899.9849 17651.5348 0.0000 0.0000 34265.3584 -149081.9660 299.2479 -183347.3244 -148991.6611 299.2912 -96.3648 -70.0981 557637.3915 10.5259 10.6109 LDB: ============= START OF LOAD BALANCING ============== 3748.28 LDB: ============== END OF LOAD BALANCING =============== 3748.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3748.28 LDB: ============= START OF LOAD BALANCING ============== 3748.58 LDB: Largest compute 4773 load 0.028205 is 23.8% of average load 0.118281 LDB: Average compute 0.001723 is 1.5% of average load 0.118281 LDB: TIME 3748.58 LOAD: AVG 0.118281 MAX 0.210855 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 3748.58 LOAD: AVG 0.118281 MAX 0.210855 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.551 MB LDB: TIME 3748.58 LOAD: AVG 0.118281 MAX 0.210855 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.551 MB LDB: ============== END OF LOAD BALANCING =============== 3748.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3748.59 PRESSURE: 1256400 115.218 -23.0684 -76.0722 -23.0683 57.6193 -317.188 -76.0724 -317.189 109.104 GPRESSURE: 1256400 111.562 -4.53369 -35.4517 -58.9809 117.902 -232.516 -40.1307 -295.293 146.386 PRESSAVG: 1256400 5.39664 6.8697 29.2654 6.86961 34.6809 0.381003 29.2654 0.380993 -19.7392 GPRESSAVG: 1256400 7.25532 7.91233 27.8895 7.29564 33.798 0.999734 31.6604 0.885004 -20.426 TIMING: 1256400 CPU: 3745.34, 0.00306838/step Wall: 3745.34, 0.00306838/step, 3.19078 hours remaining, 208.632812 MB of memory in use. ENERGY: 1256400 710.2019 2076.9584 1926.1504 109.7975 -206444.8099 17989.2869 0.0000 0.0000 34363.6212 -149268.7936 300.1061 -183632.4149 -149175.9054 300.1801 93.9805 125.2831 558085.7373 6.7794 6.8758 PRESSURE: 1256600 -89.3569 52.669 -52.4333 52.6682 -52.7733 -87.8078 -52.4333 -87.8077 -352.491 GPRESSURE: 1256600 -48.2225 49.5901 -34.1471 2.45364 -35.5754 -73.0035 -62.2102 -65.2672 -326.558 PRESSAVG: 1256600 -79.4319 0.823799 1.25159 0.823879 0.862316 -9.79874 1.25154 -9.79875 71.3043 GPRESSAVG: 1256600 -80.7999 -0.507376 2.61918 2.1302 1.36166 -10.5749 -2.33995 -8.08438 72.2866 TIMING: 1256600 CPU: 3745.94, 0.002988/step Wall: 3745.94, 0.002988/step, 3.10702 hours remaining, 208.835938 MB of memory in use. ENERGY: 1256600 754.4658 2075.4650 1921.7434 122.8285 -205930.1365 17511.7941 0.0000 0.0000 34111.9711 -149431.8684 297.9083 -183543.8395 -149338.4290 298.9370 -164.8736 -136.7852 556433.2348 -2.4217 -2.3839 PRESSURE: 1256800 41.0279 58.8336 -77.2576 58.8335 -110.529 -124.426 -77.2573 -124.425 102.53 GPRESSURE: 1256800 61.7182 44.0805 -69.1073 11.0392 -88.7442 -113.632 -98.1448 -59.363 136.419 PRESSAVG: 1256800 4.14393 21.6222 21.1954 21.6221 15.7328 -10.2361 21.1956 -10.2361 5.5544 GPRESSAVG: 1256800 4.53074 21.1421 19.4208 22.5465 15.3341 -8.65553 22.9514 -11.5546 5.14211 TIMING: 1256800 CPU: 3746.54, 0.00299315/step Wall: 3746.54, 0.00299315/step, 3.11221 hours remaining, 208.835938 MB of memory in use. ENERGY: 1256800 740.5753 2061.0604 1908.0677 108.5838 -206551.4312 17883.7395 0.0000 0.0000 34603.7615 -149245.6429 302.2033 -183849.4044 -149148.3462 299.4398 11.0098 36.4645 556730.0950 8.4770 8.3356 PRESSURE: 1257000 -138.09 -158.593 -74.2166 -158.594 136.001 10.1116 -74.2158 10.1125 -104.2 GPRESSURE: 1257000 -106.419 -89.749 -58.3175 -112.319 160.191 65.7065 -100.736 13.2483 -59.0216 PRESSAVG: 1257000 -33.5469 8.06646 6.38451 8.06649 19.6724 24.0295 6.38449 24.0294 -11.3731 GPRESSAVG: 1257000 -31.5492 9.87695 7.86639 7.13424 18.4915 23.7953 6.85226 23.4367 -12.0739 TIMING: 1257000 CPU: 3747.14, 0.00299847/step Wall: 3747.14, 0.00299847/step, 3.11758 hours remaining, 208.835938 MB of memory in use. ENERGY: 1257000 764.0618 2170.1929 1924.3851 121.9005 -206225.6550 17777.9356 0.0000 0.0000 34147.1049 -149320.0743 298.2152 -183467.1792 -149230.9619 299.3776 -35.4298 -1.7500 557294.9742 -8.4159 -8.3772 PRESSURE: 1257200 251.094 102.324 -52.0577 102.324 3.00606 -74.963 -52.0579 -74.9642 97.3668 GPRESSURE: 1257200 305.405 100.72 -35.6089 45.321 -25.208 -78.4476 62.2449 -71.2975 172.707 PRESSAVG: 1257200 16.0178 21.1369 -19.6505 21.1368 13.5041 58.0887 -19.6505 58.0888 -45.0708 GPRESSAVG: 1257200 14.6261 20.5152 -19.7703 19.0044 13.8402 58.387 -20.337 56.6168 -44.6455 TIMING: 1257200 CPU: 3747.74, 0.00301146/step Wall: 3747.74, 0.00301146/step, 3.13092 hours remaining, 208.835938 MB of memory in use. ENERGY: 1257200 728.8432 2091.2181 1940.5308 110.6924 -206506.8637 18003.4312 0.0000 0.0000 34149.6401 -149482.5079 298.2373 -183632.1481 -149387.9467 299.1552 117.1556 150.9679 557019.2393 -5.1830 -5.3931 PRESSURE: 1257400 9.43275 -60.9744 32.9166 -60.9741 -88.0994 -13.148 32.9168 -13.1497 -248.731 GPRESSURE: 1257400 21.3329 -71.9585 -76.2707 -23.278 -51.2894 1.71939 115.887 -21.6068 -207.295 PRESSAVG: 1257400 68.9049 -10.6536 23.3774 -10.6536 13.8992 -3.08038 23.3775 -3.08034 -109.59 GPRESSAVG: 1257400 67.6767 -10.8701 24.6556 -8.20923 14.2099 -3.85129 22.3323 -0.562551 -108.687 TIMING: 1257400 CPU: 3748.34, 0.00299019/step Wall: 3748.34, 0.00299019/step, 3.10863 hours remaining, 208.835938 MB of memory in use. ENERGY: 1257400 756.9767 2094.1474 1899.7456 115.6684 -206345.9519 18000.8831 0.0000 0.0000 33974.5115 -149504.0193 296.7079 -183478.5308 -149413.7292 298.3806 -109.1327 -79.0837 558733.3932 -8.9286 -8.9334 PRESSURE: 1257600 -201.794 -97.7319 226.185 -97.7319 -66.6441 -127.025 226.186 -127.026 -34.0589 GPRESSURE: 1257600 -123.89 -59.5413 186.991 -168.765 -86.1529 -118.782 204.71 -104.041 0.952587 PRESSAVG: 1257600 32.2421 -26.6983 35.2192 -26.6983 19.3149 -1.31165 35.2191 -1.31166 -34.9126 GPRESSAVG: 1257600 32.2301 -28.653 33.085 -27.0455 18.7871 -0.680351 35.8193 -3.20346 -33.9961 TIMING: 1257600 CPU: 3748.93, 0.00296384/step Wall: 3748.93, 0.00296384/step, 3.08107 hours remaining, 208.835938 MB of memory in use. ENERGY: 1257600 727.9674 2098.2204 1908.2412 91.4110 -206205.5928 17672.1538 0.0000 0.0000 34382.4365 -149325.1626 300.2704 -183707.5990 -149224.2760 298.4938 -100.8322 -69.6969 558216.9560 5.5481 5.6737 PRESSURE: 1257800 35.0467 -100.045 -77.1463 -100.046 180.527 96.9906 -77.1459 96.9903 -80.6947 GPRESSURE: 1257800 42.1054 -72.9454 -7.41767 -144.77 213.86 122.409 -150.086 56.9446 -28.3152 PRESSAVG: 1257800 -12.4894 -39.8166 -19.6316 -39.8165 57.8761 -49.1144 -19.6316 -49.1143 -27.6967 GPRESSAVG: 1257800 -11.9395 -34.9359 -18.8645 -42.9382 59.3749 -47.9338 -20.9719 -49.7245 -29.5625 TIMING: 1257800 CPU: 3749.52, 0.0029787/step Wall: 3749.52, 0.0029787/step, 3.09636 hours remaining, 208.835938 MB of memory in use. ENERGY: 1257800 796.8839 2098.7248 1918.3879 114.5287 -206670.3012 18157.2581 0.0000 0.0000 34266.3979 -149318.1198 299.2570 -183584.5177 -149226.3394 298.4548 44.9597 75.8833 557406.2539 5.8966 5.9576 PRESSURE: 1258000 43.9181 60.6081 -82.0988 60.6088 115.269 15.2853 -82.0987 15.2846 73.7859 GPRESSURE: 1258000 65.5515 62.2435 -141.358 21.3154 118.423 99.8979 -82.0809 -22.7035 151.884 PRESSAVG: 1258000 -13.6937 -13.1373 -28.1206 -13.1374 5.40832 0.575406 -28.1207 0.575383 27.1853 GPRESSAVG: 1258000 -13.5161 -14.8021 -28.9868 -10.891 5.1216 -2.16089 -26.1921 1.22 27.4929 TIMING: 1258000 CPU: 3750.12, 0.0030009/step Wall: 3750.12, 0.0030009/step, 3.11927 hours remaining, 208.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1258000 735.7113 2088.5229 1920.5657 114.7980 -206440.3110 17941.9920 0.0000 0.0000 34241.0426 -149397.6787 299.0355 -183638.7213 -149294.6217 299.2077 77.6575 111.9529 557625.5132 6.3000 6.3661 PRESSURE: 1258200 -229.461 9.91004 -121.811 9.91065 -149.167 135.273 -121.81 135.274 -87.0416 GPRESSURE: 1258200 -180.915 66.7818 -140.051 13.4043 -87.3246 114.767 -53.1694 171.752 -95.3382 PRESSAVG: 1258200 6.99424 -55.6336 -39.8982 -55.6336 -19.758 -9.85107 -39.8982 -9.85102 14.3063 GPRESSAVG: 1258200 6.95519 -56.8507 -37.7416 -54.432 -18.4061 -9.43127 -42.4919 -7.52484 12.844 TIMING: 1258200 CPU: 3750.72, 0.0029632/step Wall: 3750.72, 0.0029632/step, 3.07992 hours remaining, 208.835938 MB of memory in use. ENERGY: 1258200 762.2733 2047.9953 1929.7716 108.6601 -205778.8652 17429.1900 0.0000 0.0000 34277.0984 -149223.8765 299.3504 -183500.9748 -149119.7710 299.6502 -155.2231 -121.1925 556424.2303 0.5142 0.4644 PRESSURE: 1258400 69.6645 122.906 147.469 122.905 9.68773 51.382 147.471 51.3804 -161.334 GPRESSURE: 1258400 154.903 29.3781 163.381 174.727 1.17725 55.2407 137.526 102.675 -139.702 PRESSAVG: 1258400 16.371 -8.44305 -19.5759 -8.44303 -9.05232 -22.7608 -19.5759 -22.7608 -17.4085 GPRESSAVG: 1258400 16.7554 -8.8846 -21.8182 -9.61117 -10.2344 -21.8098 -18.7301 -22.8269 -16.5904 TIMING: 1258400 CPU: 3751.31, 0.00297478/step Wall: 3751.31, 0.00297478/step, 3.09178 hours remaining, 208.835938 MB of memory in use. ENERGY: 1258400 772.9156 2125.5014 1915.3113 123.5534 -206206.3044 17817.2386 0.0000 0.0000 34345.7679 -149106.0163 299.9501 -183451.7842 -149011.3254 300.1886 -27.3274 5.4595 556452.3984 -3.3633 -3.3565 PRESSURE: 1258600 -53.9013 2.24325 42.4759 2.24322 -66.7605 0.899898 42.4753 0.900279 41.1177 GPRESSURE: 1258600 21.7956 39.1641 20.5919 11.5249 -63.8178 41.9669 77.5453 -37.2343 61.0281 PRESSAVG: 1258600 52.0097 13.6132 9.46846 13.6132 -26.8623 -28.6067 9.46847 -28.6067 -32.0997 GPRESSAVG: 1258600 53.0584 13.7182 8.79729 13.2499 -27.8211 -29.5379 9.2181 -29.309 -32.3338 TIMING: 1258600 CPU: 3751.91, 0.00298904/step Wall: 3751.91, 0.00298904/step, 3.10645 hours remaining, 208.835938 MB of memory in use. ENERGY: 1258600 728.9990 2140.3870 1891.0532 115.5910 -206155.2737 17875.4986 0.0000 0.0000 34348.0112 -149055.7338 299.9697 -183403.7450 -148958.0257 299.7207 -26.5147 6.3353 558347.6420 -2.3174 -2.3655 PRESSURE: 1258800 67.7912 -123.519 88.3637 -123.52 -111.128 -160.85 88.3634 -160.85 -238.127 GPRESSURE: 1258800 133.997 -109.929 -6.62414 -143.878 -150.904 -145.132 151.161 -136.821 -154.141 PRESSAVG: 1258800 -35.5606 44.2347 25.3883 44.2347 -28.4013 -7.17504 25.3883 -7.17503 40.7057 GPRESSAVG: 1258800 -36.84 44.2 25.5456 45.0399 -27.3872 -6.61481 26.1646 -6.51879 40.6749 TIMING: 1258800 CPU: 3752.51, 0.00301698/step Wall: 3752.51, 0.00301698/step, 3.13531 hours remaining, 208.835938 MB of memory in use. ENERGY: 1258800 770.0450 2135.1356 1887.6607 118.7337 -206026.2158 17639.6431 0.0000 0.0000 34279.4282 -149195.5695 299.3708 -183474.9977 -149095.8386 300.1583 -93.8211 -57.0160 557617.0385 -7.7521 -7.8508 PRESSURE: 1259000 282.413 -189.158 -53.2401 -189.159 43.8403 -24.8128 -53.2409 -24.8147 -109.238 GPRESSURE: 1259000 295.759 -245.731 -79.0364 -181.428 36.5056 -74.3735 -9.07609 96.2944 -24.4719 PRESSAVG: 1259000 31.0243 21.5533 -11.6688 21.5532 7.41289 -2.8491 -11.6688 -2.84926 -43.3434 GPRESSAVG: 1259000 30.7764 22.1586 -10.6419 22.8301 6.93912 -3.19925 -11.6375 -1.61825 -42.8006 TIMING: 1259000 CPU: 3753.11, 0.0029807/step Wall: 3753.11, 0.0029807/step, 3.09745 hours remaining, 208.835938 MB of memory in use. ENERGY: 1259000 729.4676 2073.1994 1922.1221 124.4109 -206323.9767 17835.6638 0.0000 0.0000 34386.9872 -149252.1257 300.3101 -183639.1129 -149154.4874 299.0426 72.3385 102.5975 557078.8204 -1.6354 -1.6950 PRESSURE: 1259200 -114.314 -38.9473 -153.337 -38.9477 -130.802 67.2036 -153.338 67.2039 -307.89 GPRESSURE: 1259200 -66.8504 -76.1116 -31.7321 -42.8757 -158.163 13.1082 -180.485 1.11434 -254.796 PRESSAVG: 1259200 109.799 34.8517 10.7754 34.8517 -29.3867 26.3531 10.7753 26.3532 -60.0037 GPRESSAVG: 1259200 109.407 33.1862 10.6617 36.5157 -29.1729 27.1204 9.74423 23.4741 -60.6887 TIMING: 1259200 CPU: 3753.71, 0.00301173/step Wall: 3753.71, 0.00301173/step, 3.12952 hours remaining, 208.835938 MB of memory in use. ENERGY: 1259200 736.7995 2096.9788 1901.1563 128.0137 -205617.3335 17572.2170 0.0000 0.0000 34020.2823 -149161.8860 297.1076 -183182.1682 -149069.1912 299.3989 -184.3354 -159.9364 557948.7729 6.8028 6.5150 PRESSURE: 1259400 53.834 -34.3432 -32.7488 -34.3422 -135.744 230.285 -32.7485 230.284 179.553 GPRESSURE: 1259400 34.2518 -79.4635 -93.4406 -18.8488 -7.19739 160.447 -32.0457 242.469 171.093 PRESSAVG: 1259400 2.79182 68.5145 -7.09898 68.5145 13.4207 38.3913 -7.09895 38.3914 -23.2719 GPRESSAVG: 1259400 3.36754 67.6362 -8.56463 66.604 14.5521 36.259 -5.38741 39.9668 -24.5846 TIMING: 1259400 CPU: 3754.31, 0.0030024/step Wall: 3754.31, 0.0030024/step, 3.11966 hours remaining, 208.835938 MB of memory in use. ENERGY: 1259400 739.9772 2114.2038 1901.9602 120.5404 -206376.1110 17808.7540 0.0000 0.0000 34256.0128 -149434.6626 299.1663 -183690.6754 -149340.6492 298.8171 32.5477 66.0492 555949.6346 -2.3531 -2.2217 PRESSURE: 1259600 -72.6466 -14.6964 114.377 -14.6974 -103.449 -98.4311 114.376 -98.4333 -68.6085 GPRESSURE: 1259600 -3.00041 -2.9611 79.7062 49.7134 -88.2738 -9.80013 144.118 -93.8542 -46.0042 PRESSAVG: 1259600 22.9634 15.8784 41.0302 15.8784 7.07675 -45.5861 41.0302 -45.5862 -0.828773 GPRESSAVG: 1259600 21.9167 18.3034 41.8229 14.59 6.4079 -42.4159 40.9812 -47.1417 0.644927 TIMING: 1259600 CPU: 3754.92, 0.00303/step Wall: 3754.92, 0.00303/step, 3.14817 hours remaining, 208.835938 MB of memory in use. ENERGY: 1259600 731.0573 2053.1227 1907.1733 105.1270 -206218.3498 17693.5176 0.0000 0.0000 34301.7932 -149426.5586 299.5661 -183728.3518 -149324.8688 298.8194 -81.5679 -45.7595 557175.9352 9.7371 9.6565 PRESSURE: 1259800 -12.2144 -16.4982 64.3952 -16.4972 -410.923 -145.759 64.3954 -145.76 35.2292 GPRESSURE: 1259800 12.6875 -45.5884 -37.0503 -2.55945 -395.494 -148.719 133 -188.994 80.1667 PRESSAVG: 1259800 -17.9075 7.29375 32.6398 7.29384 -16.5301 4.32423 32.6398 4.32431 -18.6165 GPRESSAVG: 1259800 -17.895 7.4911 32.4096 6.97297 -16.0455 3.45526 33.1646 3.3657 -18.6802 TIMING: 1259800 CPU: 3755.53, 0.00303812/step Wall: 3755.53, 0.00303812/step, 3.15644 hours remaining, 208.835938 MB of memory in use. ENERGY: 1259800 731.9225 2017.9527 1909.0608 115.9198 -205803.3068 17384.0664 0.0000 0.0000 34287.5209 -149356.8637 299.4414 -183644.3845 -149259.8946 298.8272 -129.3029 -100.8800 556748.4798 -17.6847 -17.5403 PRESSURE: 1260000 111.233 105.593 10.2514 105.594 -354.969 -3.30691 10.251 -3.30611 118.511 GPRESSURE: 1260000 164.614 148.732 -41.9387 25.2901 -368.175 39.9923 81.1819 -24.2662 184.253 PRESSAVG: 1260000 -76.6556 30.8925 2.74393 30.8925 -28.8481 6.89862 2.74397 6.89861 101.513 GPRESSAVG: 1260000 -77.02 31.5685 4.35505 30.4964 -29.1285 6.34095 2.02933 5.97946 102.354 TIMING: 1260000 CPU: 3756.13, 0.00303989/step Wall: 3756.13, 0.00303989/step, 3.15811 hours remaining, 208.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1260000 727.9589 2072.3394 1919.8272 107.9504 -205927.1199 17679.9625 0.0000 0.0000 34070.5950 -149348.4864 297.5470 -183419.0815 -149254.7649 298.8842 -41.7415 -6.4357 558136.1691 -1.3304 -1.2650 PRESSURE: 1260200 76.2885 -84.3299 191.903 -84.33 -66.4192 30.9795 191.903 30.9793 90.9709 GPRESSURE: 1260200 92.8108 -81.9999 230.911 -11.5841 -37.5427 64.6931 103.091 -4.13207 129.605 PRESSAVG: 1260200 -36.3818 47.395 2.96246 47.395 -29.1141 7.89054 2.96245 7.89054 68.1131 GPRESSAVG: 1260200 -35.5508 46.2077 0.390793 47.9903 -29.6037 7.03214 2.04026 9.84373 66.9672 TIMING: 1260200 CPU: 3756.74, 0.00302614/step Wall: 3756.74, 0.00302614/step, 3.14365 hours remaining, 208.835938 MB of memory in use. ENERGY: 1260200 719.6578 2036.5009 1907.1687 100.3720 -206327.6825 17915.4728 0.0000 0.0000 34268.9582 -149379.5521 299.2793 -183648.5103 -149288.6094 297.7207 33.6134 61.6243 559228.7277 0.8724 0.6042 LDB: ============= START OF LOAD BALANCING ============== 3760.29 LDB: ============== END OF LOAD BALANCING =============== 3760.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3760.29 LDB: ============= START OF LOAD BALANCING ============== 3760.59 LDB: Largest compute 4796 load 0.028688 is 24.3% of average load 0.118167 LDB: Average compute 0.001718 is 1.5% of average load 0.118167 LDB: TIME 3760.59 LOAD: AVG 0.118167 MAX 0.209808 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.734 MB LDB: TIME 3760.59 LOAD: AVG 0.118167 MAX 0.209808 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.938 MB LDB: TIME 3760.59 LOAD: AVG 0.118167 MAX 0.209808 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.938 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3760.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3760.6 PRESSURE: 1260400 -124.095 158.317 7.7153 158.318 326.556 -83.3553 7.71591 -83.3553 -4.07906 GPRESSURE: 1260400 -89.5008 196.772 62.0824 103.62 314.765 -103.127 30.7847 -92.0666 94.6301 PRESSAVG: 1260400 -17.6922 7.27162 -25.0042 7.27172 33.8353 -34.896 -25.004 -34.896 -55.2034 GPRESSAVG: 1260400 -18.3064 7.96632 -24.4879 6.28044 34.2569 -33.1921 -24.409 -36.8598 -54.4201 TIMING: 1260400 CPU: 3757.35, 0.00303714/step Wall: 3757.35, 0.00303714/step, 3.15491 hours remaining, 207.414062 MB of memory in use. ENERGY: 1260400 728.9768 2073.0161 1930.2777 116.8234 -206130.7051 17901.7815 0.0000 0.0000 34050.6396 -149329.1902 297.3727 -183379.8298 -149236.0692 298.3701 66.1273 106.6315 557586.6349 -13.0201 -12.8232 PRESSURE: 1260600 -2.48808 7.49698 63.1268 7.49575 -38.1643 -1.09382 63.1268 -1.09542 -32.7568 GPRESSURE: 1260600 3.50909 30.0921 110.542 9.9465 13.1576 -14.0851 23.5319 -0.96398 15.0832 PRESSAVG: 1260600 -17.9974 54.8915 6.23794 54.8915 14.8234 -13.4743 6.23801 -13.4744 3.59406 GPRESSAVG: 1260600 -17.6865 55.1179 6.16639 56.3118 14.6361 -12.0007 8.72564 -12.2879 3.19165 TIMING: 1260600 CPU: 3757.94, 0.00297802/step Wall: 3757.94, 0.00297802/step, 3.09334 hours remaining, 207.414062 MB of memory in use. ENERGY: 1260600 708.9003 2112.4147 1938.9697 111.4350 -205875.3945 17673.5849 0.0000 0.0000 34270.0836 -149060.0062 299.2892 -183330.0898 -148961.1812 298.8535 -24.4697 10.5833 558291.8622 0.1400 0.0471 PRESSURE: 1260800 -224.377 -87.4519 -125.574 -87.4514 5.73235 -183.024 -125.574 -183.025 -175.047 GPRESSURE: 1260800 -177.469 -110.79 -111.264 -44.8093 66.624 -130.474 -145.396 -236.34 -185.988 PRESSAVG: 1260800 -40.8237 36.3624 14.2873 36.3624 61.2008 -31.9521 14.2873 -31.9521 23.0931 GPRESSAVG: 1260800 -40.7596 35.7158 15.0378 35.5762 62.4543 -33.8886 11.95 -31.593 21.6501 TIMING: 1260800 CPU: 3758.54, 0.00298067/step Wall: 3758.54, 0.00298067/step, 3.09592 hours remaining, 207.414062 MB of memory in use. ENERGY: 1260800 765.2741 2137.1628 1906.8394 108.6773 -205730.5408 17527.1856 0.0000 0.0000 34381.3092 -148904.0923 300.2605 -183285.4016 -148812.6339 299.4145 -131.2306 -98.9444 557875.7185 14.4901 14.4483 PRESSURE: 1261000 356.661 -30.8036 -222.531 -30.8037 -75.2416 84.875 -222.531 84.8755 -132.769 GPRESSURE: 1261000 362.279 -72.6908 -215.622 -21.8328 23.2804 88.0276 -291.926 130.936 -144.825 PRESSAVG: 1261000 11.1319 22.4407 21.4953 22.4407 -2.35076 -47.3358 21.4954 -47.3358 11.4366 GPRESSAVG: 1261000 11.9764 22.6412 22.5875 21.6757 -3.60767 -48.2927 21.6372 -48.3222 11.781 TIMING: 1261000 CPU: 3759.13, 0.00296942/step Wall: 3759.13, 0.00296942/step, 3.08408 hours remaining, 207.414062 MB of memory in use. ENERGY: 1261000 756.0096 2039.8498 1901.8342 114.9479 -206134.9556 17927.6692 0.0000 0.0000 34413.3608 -148981.2841 300.5404 -183394.6449 -148882.0486 300.6302 49.5499 80.2449 557376.6938 6.7393 6.7166 PRESSURE: 1261200 197.163 -122.384 55.8366 -122.385 354.963 96.4613 55.8383 96.4604 251.584 GPRESSURE: 1261200 196.702 -106.669 19.9218 -93.2129 415.87 81.782 88.0461 51.349 283.007 PRESSAVG: 1261200 28.0816 -33.2901 6.44995 -33.2901 -58.7953 -15.9696 6.44987 -15.9695 -43.1724 GPRESSAVG: 1261200 26.5381 -32.6308 6.19697 -31.9858 -57.9485 -14.8039 5.39432 -15.8369 -42.7128 TIMING: 1261200 CPU: 3759.73, 0.00299829/step Wall: 3759.73, 0.00299829/step, 3.11389 hours remaining, 207.414062 MB of memory in use. ENERGY: 1261200 754.7016 2068.2116 1949.1925 111.8952 -206479.8209 18141.2445 0.0000 0.0000 34314.9628 -149139.6126 299.6811 -183454.5754 -149043.9500 300.1292 267.9031 298.5263 556459.3028 -24.6287 -24.7078 PRESSURE: 1261400 109.819 -43.2902 51.0431 -43.2909 91.3287 -23.862 51.0438 -23.8625 -204.994 GPRESSURE: 1261400 68.7688 -74.0518 9.56088 -22.921 165.238 -21.8032 47.53 15.3285 -151.032 PRESSAVG: 1261400 17.5222 -18.8736 1.84886 -18.8737 19.914 57.9251 1.8489 57.9252 -2.06777 GPRESSAVG: 1261400 17.5624 -19.7388 2.57631 -18.3651 19.2242 56.8167 2.58652 58.7799 -2.18386 TIMING: 1261400 CPU: 3760.33, 0.00300509/step Wall: 3760.33, 0.00300509/step, 3.12079 hours remaining, 207.414062 MB of memory in use. ENERGY: 1261400 764.9934 2103.0527 1927.1190 115.2016 -206515.3523 18000.5625 0.0000 0.0000 34453.8680 -149150.5551 300.8942 -183604.4231 -149057.0532 299.7566 -1.2821 27.6582 558421.9542 11.7895 11.5342 PRESSURE: 1261600 -28.3471 92.599 53.9005 92.5992 -81.3997 -16.3225 53.901 -16.3233 -207.452 GPRESSURE: 1261600 -6.60341 121.331 88.9425 140.253 -29.1194 20.5985 -30.2457 17.798 -185.109 PRESSAVG: 1261600 11.8673 12.729 -4.5321 12.729 13.8596 -11.8316 -4.53204 -11.8314 -41.8327 GPRESSAVG: 1261600 12.0062 13.1679 -4.7338 11.8891 13.6557 -11.1003 -5.13959 -15.1488 -41.4924 TIMING: 1261600 CPU: 3760.93, 0.0029784/step Wall: 3760.93, 0.0029784/step, 3.0929 hours remaining, 207.414062 MB of memory in use. ENERGY: 1261600 755.0840 2063.4995 1922.9893 102.6024 -206181.5191 17914.6288 0.0000 0.0000 34418.0347 -149004.6806 300.5813 -183422.7152 -148905.2634 299.7090 -105.7330 -73.6108 558362.2318 -5.3686 -5.2768 PRESSURE: 1261800 -201.374 14.2814 42.8024 14.2807 -207.908 -30.0925 42.8023 -30.0928 -143.535 GPRESSURE: 1261800 -139.568 32.7081 62.2961 20.7783 -185.919 -57.2917 60.3215 62.4745 -121.855 PRESSAVG: 1261800 33.0866 20.8036 -28.0672 20.8035 -39.5383 -29.9845 -28.0673 -29.9845 5.99566 GPRESSAVG: 1261800 32.744 20.797 -28.7545 19.7164 -38.4357 -29.544 -27.5261 -28.0116 5.03392 TIMING: 1261800 CPU: 3761.53, 0.0029827/step Wall: 3761.53, 0.0029827/step, 3.0972 hours remaining, 207.414062 MB of memory in use. ENERGY: 1261800 752.0527 2081.7114 1914.2116 126.6516 -205803.3810 17621.8331 0.0000 0.0000 34450.1443 -148856.7762 300.8617 -183306.9205 -148751.5726 299.7858 -184.2720 -149.1141 558280.2547 -0.1520 -0.2193 PRESSURE: 1262000 25.0363 -61.3732 55.9232 -61.3736 -47.8321 25.3028 55.9231 25.3024 28.6157 GPRESSURE: 1262000 69.145 -188.211 96.2826 -25.2233 -53.6641 -6.77194 50.3161 84.2574 85.0352 PRESSAVG: 1262000 71.8398 -14.2282 -45.823 -14.2284 -36.4387 5.91787 -45.8229 5.91789 6.43084 GPRESSAVG: 1262000 72.211 -14.4174 -45.7857 -13.153 -36.9638 5.27421 -46.6059 6.37264 6.84456 TIMING: 1262000 CPU: 3762.13, 0.0030019/step Wall: 3762.13, 0.0030019/step, 3.11698 hours remaining, 207.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1262000 766.1112 2120.9782 1919.0519 110.5167 -206157.9685 17935.3833 0.0000 0.0000 34582.8659 -148723.0614 302.0208 -183305.9272 -148628.8102 300.2781 1.9400 33.5054 557630.9340 13.9440 14.0306 PRESSURE: 1262200 28.6686 -133.995 53.4643 -133.995 308.38 -184.965 53.4633 -184.965 145.548 GPRESSURE: 1262200 58.6548 -117.592 22.1351 -136.88 368.895 -142.244 88.5886 -285.615 144.707 PRESSAVG: 1262200 32.0257 -3.43067 6.88582 -3.43075 -41.2128 -10.7956 6.88589 -10.7955 -22.4196 GPRESSAVG: 1262200 31.9386 -4.13534 7.21982 -4.31774 -40.6123 -10.6278 7.82691 -12.1433 -22.7849 TIMING: 1262200 CPU: 3762.72, 0.00297178/step Wall: 3762.72, 0.00297178/step, 3.08553 hours remaining, 207.414062 MB of memory in use. ENERGY: 1262200 763.7387 2131.4548 1924.6537 111.6223 -206178.7235 18069.9880 0.0000 0.0000 34294.3040 -148882.9620 299.5007 -183177.2660 -148787.6399 300.6661 160.8658 190.7522 557365.8379 -10.5356 -10.4862 PRESSURE: 1262400 12.9971 -2.22684 -57.5871 -2.22743 32.5086 28.9165 -57.588 28.9184 103.579 GPRESSURE: 1262400 -5.05898 -5.18972 -8.8583 -27.3629 101.665 77.2367 -104.172 -46.3802 143.458 PRESSAVG: 1262400 1.53387 -0.171566 27.672 -0.171647 -18.0567 34.4571 27.6721 34.4572 19.8179 GPRESSAVG: 1262400 1.0315 -0.192622 27.1287 1.07728 -18.1781 33.7752 27.8529 35.9423 19.7937 TIMING: 1262400 CPU: 3763.32, 0.00298467/step Wall: 3763.32, 0.00298467/step, 3.09875 hours remaining, 207.414062 MB of memory in use. ENERGY: 1262400 733.8652 2084.9406 1947.1383 108.6724 -205957.5784 17839.8873 0.0000 0.0000 34438.2035 -148804.8710 300.7574 -183243.0745 -148706.5266 300.7257 49.6947 80.0211 557469.5674 1.0984 0.8824 PRESSURE: 1262600 125.218 -103.112 3.78151 -103.111 142.102 -86.8973 3.78226 -86.8978 64.0079 GPRESSURE: 1262600 153.443 -63.3892 -7.40154 -124.277 153.007 -79.836 -19.5788 -40.0042 120.31 PRESSAVG: 1262600 10.0525 -30.6013 -31.9091 -30.6011 -47.7015 1.24483 -31.9091 1.2449 -32.3373 GPRESSAVG: 1262600 9.26152 -29.9004 -32.137 -31.4805 -47.5195 0.725643 -30.9529 3.4083 -31.6145 TIMING: 1262600 CPU: 3763.92, 0.00299028/step Wall: 3763.92, 0.00299028/step, 3.10441 hours remaining, 207.414062 MB of memory in use. ENERGY: 1262600 743.4452 2129.0802 1938.4829 108.6430 -206289.5050 18014.2677 0.0000 0.0000 34449.7525 -148905.8336 300.8583 -183355.5860 -148814.4224 300.5326 110.4427 142.2532 558456.2907 -23.3287 -23.2908 PRESSURE: 1262800 105.993 -105.559 -16.5874 -105.562 206.433 -15.2128 -16.5889 -15.2128 248.045 GPRESSURE: 1262800 181.965 -41.5137 -36.6446 -129.74 228.122 -108.199 6.07543 11.3185 254.022 PRESSAVG: 1262800 1.92738 53.3839 -70.2951 53.3839 2.46513 3.34 -70.2951 3.3399 40.6209 GPRESSAVG: 1262800 2.7891 55.1696 -70.8461 52.1537 1.65121 2.68356 -70.5814 2.62632 40.3828 TIMING: 1262800 CPU: 3764.51, 0.00298681/step Wall: 3764.51, 0.00298681/step, 3.10064 hours remaining, 207.414062 MB of memory in use. ENERGY: 1262800 789.6200 2029.3278 1917.0455 112.1515 -206691.1434 18314.4263 0.0000 0.0000 34522.4894 -149006.0830 301.4935 -183528.5724 -148903.6027 300.4193 186.8235 221.3695 557431.3678 15.0045 14.9410 PRESSURE: 1263000 -381.414 -50.4798 96.779 -50.4784 -240.151 36.1418 96.7781 36.1433 -254.348 GPRESSURE: 1263000 -387.56 -58.9942 117.377 -64.8434 -159.238 51.8331 92.6634 10.1117 -230.887 PRESSAVG: 1263000 21.7021 26.7933 -22.8858 26.7933 -11.9793 21.0164 -22.8858 21.0164 18.191 GPRESSAVG: 1263000 20.6427 23.2923 -21.6685 29.6876 -11.4351 22.3669 -21.8079 20.4583 18.5546 TIMING: 1263000 CPU: 3765.11, 0.00297838/step Wall: 3765.11, 0.00297838/step, 3.09172 hours remaining, 207.414062 MB of memory in use. ENERGY: 1263000 766.8507 2005.9055 1915.9070 115.3934 -205940.6112 17599.4583 0.0000 0.0000 34592.5475 -148944.5487 302.1053 -183537.0963 -148849.3738 300.9278 -291.9711 -259.2284 558590.2708 9.3046 9.2541 PRESSURE: 1263200 -293.122 -63.8818 -72.3425 -63.8799 -71.1417 -41.9002 -72.3414 -41.9 46.8141 GPRESSURE: 1263200 -235.467 -66.3097 -107.684 -84.2145 -34.691 -107.114 -137.643 -101.383 58.8232 PRESSAVG: 1263200 -37.8791 -40.1574 -80.8703 -40.1573 43.8367 -7.34805 -80.8703 -7.34814 35.2623 GPRESSAVG: 1263200 -37.177 -39.5279 -80.2077 -41.1274 42.6026 -8.31325 -82.036 -8.84731 36.4559 TIMING: 1263200 CPU: 3765.7, 0.0029758/step Wall: 3765.7, 0.0029758/step, 3.08888 hours remaining, 207.414062 MB of memory in use. ENERGY: 1263200 755.1638 2094.0229 1931.4274 107.8512 -205825.3625 17504.6658 0.0000 0.0000 34352.1028 -149080.1286 300.0055 -183432.2315 -148982.8422 299.8966 -105.8164 -70.4449 556858.6052 13.7400 13.9605 PRESSURE: 1263400 -413.007 -137.934 32.5155 -137.934 -92.0334 30.293 32.5151 30.2946 -301.571 GPRESSURE: 1263400 -339.558 -54.7193 80.04 -159.159 -47.7761 -38.1249 50.9071 94.807 -317.103 PRESSAVG: 1263400 3.48656 -40.63 -33.3725 -40.63 -5.26618 -9.38627 -33.3726 -9.38638 -14.6744 GPRESSAVG: 1263400 3.8451 -40.8042 -35.5787 -39.7114 -3.86545 -9.70846 -32.976 -7.50026 -16.4513 TIMING: 1263400 CPU: 3766.3, 0.0030041/step Wall: 3766.3, 0.0030041/step, 3.11809 hours remaining, 207.414062 MB of memory in use. ENERGY: 1263400 740.3278 2080.7885 1898.3722 107.3470 -205583.4953 17407.7991 0.0000 0.0000 34221.5804 -149127.2804 298.8656 -183348.8608 -149029.4048 299.2818 -268.8704 -234.8123 559064.5408 -5.4847 -5.4906 PRESSURE: 1263600 -31.7196 131.275 -177.646 131.275 48.8584 120.708 -177.646 120.708 -104.995 GPRESSURE: 1263600 -2.32405 65.7451 -227.029 197.379 85.8399 90.9249 -117.152 78.4395 -80.0017 PRESSAVG: 1263600 -61.9688 15.348 -46.4796 15.3479 35.2448 45.5115 -46.4796 45.5114 28.8265 GPRESSAVG: 1263600 -62.2583 13.1021 -44.6029 17.5048 34.77 47.2463 -46.9951 46.1237 29.5258 TIMING: 1263600 CPU: 3766.91, 0.00300704/step Wall: 3766.91, 0.00300704/step, 3.12097 hours remaining, 207.414062 MB of memory in use. ENERGY: 1263600 749.0714 2141.2048 1913.8322 111.9504 -206029.7513 17901.8035 0.0000 0.0000 34113.4990 -149098.3900 297.9217 -183211.8890 -149002.0431 299.2702 -29.2853 1.1714 558643.9590 0.7009 0.6792 PRESSURE: 1263800 -18.5087 -37.6343 -80.4025 -37.6339 31.7212 -32.8564 -80.4028 -32.8562 -61.6675 GPRESSURE: 1263800 65.0311 -44.8051 -24.0214 -96.1481 92.752 -59.6509 -150.598 -2.37555 -103.598 PRESSAVG: 1263800 -33.9965 13.3114 -43.0432 13.3114 69.5544 8.47614 -43.0432 8.47621 -25.4966 GPRESSAVG: 1263800 -33.4695 16.6313 -40.3576 10.106 69.9641 9.86275 -42.946 6.62107 -25.9828 TIMING: 1263800 CPU: 3767.51, 0.00302922/step Wall: 3767.51, 0.00302922/step, 3.14382 hours remaining, 207.414062 MB of memory in use. ENERGY: 1263800 710.5289 2092.2689 1892.8694 125.3869 -205819.2186 17543.9178 0.0000 0.0000 34344.7917 -149109.4549 299.9416 -183454.2467 -149021.7176 299.2471 -16.1517 18.0616 557389.0642 3.3538 3.5040 PRESSURE: 1264000 -1.66331 -105.121 -141.041 -105.118 43.4294 -304.696 -141.042 -304.698 466.425 GPRESSURE: 1264000 16.0049 -176.973 -124.037 -63.708 139.194 -259.922 -144.179 -271.089 445.115 PRESSAVG: 1264000 13.2877 -12.0793 52.5117 -12.0793 36.5598 9.57142 52.5117 9.57127 -19.7809 GPRESSAVG: 1264000 13.5665 -14.2858 52.4786 -10.4568 36.3111 7.10709 51.1345 10.1536 -19.3685 TIMING: 1264000 CPU: 3768.11, 0.00297281/step Wall: 3768.11, 0.00297281/step, 3.08512 hours remaining, 207.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1264000 761.7800 2121.9708 1933.0260 107.9928 -206474.6829 18203.9121 0.0000 0.0000 34325.7331 -149020.2682 299.7752 -183346.0013 -148924.7788 299.8046 169.3971 200.1047 557649.6335 10.0222 10.1697 PRESSURE: 1264200 110.854 4.16864 -80.2342 4.16695 -0.934241 15.2441 -80.2341 15.2447 -339.514 GPRESSURE: 1264200 166.44 -0.750935 -102.968 12.6877 24.5317 8.92474 -95.424 79.5059 -309.359 PRESSAVG: 1264200 5.51896 -74.3819 0.450331 -74.3818 -32.0114 -46.5908 0.450303 -46.5909 -3.03305 GPRESSAVG: 1264200 4.86698 -73.8812 -3.20465 -76.2047 -30.8048 -47.9546 4.02002 -44.696 -2.7053 TIMING: 1264200 CPU: 3768.7, 0.00298494/step Wall: 3768.7, 0.00298494/step, 3.09754 hours remaining, 207.414062 MB of memory in use. ENERGY: 1264200 755.5626 2067.4754 1944.8319 106.0435 -205809.0204 17690.7673 0.0000 0.0000 34329.2869 -148915.0528 299.8062 -183244.3397 -148819.2324 299.7347 -76.5316 -39.4624 558096.9613 -9.8418 -9.5477 LDB: ============= START OF LOAD BALANCING ============== 3772.25 LDB: ============== END OF LOAD BALANCING =============== 3772.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3772.26 LDB: ============= START OF LOAD BALANCING ============== 3772.56 LDB: Largest compute 4796 load 0.029213 is 24.7% of average load 0.118232 LDB: Average compute 0.001714 is 1.4% of average load 0.118232 LDB: TIME 3772.56 LOAD: AVG 0.118232 MAX 0.213797 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.445 MB LDB: TIME 3772.56 LOAD: AVG 0.118232 MAX 0.213797 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.445 MB LDB: TIME 3772.56 LOAD: AVG 0.118232 MAX 0.213797 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.445 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3772.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3772.56 PRESSURE: 1264400 18.4536 -44.872 -15.842 -44.8715 -110.123 -131.674 -15.8417 -131.675 72.3389 GPRESSURE: 1264400 85.9483 -66.0644 -44.082 -48.4332 -112.834 41.9695 -4.38403 -172.995 100.584 PRESSAVG: 1264400 3.98273 -19.4858 -23.8333 -19.4858 -4.23004 32.4818 -23.8333 32.4819 -17.5626 GPRESSAVG: 1264400 4.50909 -16.3963 -20.4877 -21.5721 -4.20392 33.8124 -26.1757 30.3641 -17.8558 TIMING: 1264400 CPU: 3769.31, 0.00305957/step Wall: 3769.31, 0.00305957/step, 3.17481 hours remaining, 207.476562 MB of memory in use. ENERGY: 1264400 724.8419 2065.0254 1932.0254 112.8822 -205728.4943 17575.2245 0.0000 0.0000 34407.8503 -148910.6446 300.4923 -183318.4949 -148819.0057 300.8900 -6.4436 24.5661 557691.3601 -5.9366 -5.8502 PRESSURE: 1264600 140.122 48.2791 -80.8352 48.2799 153.831 -83.6316 -80.8347 -83.6321 -338.256 GPRESSURE: 1264600 115.908 112.525 -135.952 35.3186 150.775 -249.923 -20.6229 -42.4424 -235.008 PRESSAVG: 1264600 45.8858 -23.1507 -22.507 -23.1507 30.6284 -41.1629 -22.507 -41.1629 -12.5344 GPRESSAVG: 1264600 46.0254 -24.5965 -23.6313 -22.4823 29.9883 -41.397 -21.0923 -40.3533 -12.1722 TIMING: 1264600 CPU: 3769.92, 0.00301037/step Wall: 3769.92, 0.00301037/step, 3.1236 hours remaining, 207.476562 MB of memory in use. ENERGY: 1264600 753.9031 2082.8396 1920.6771 101.1847 -205876.7762 17786.1055 0.0000 0.0000 34364.4562 -148867.6100 300.1133 -183232.0662 -148762.7327 300.4388 -14.7675 10.5585 558264.4590 21.3266 21.2805 PRESSURE: 1264800 222.105 65.8205 -78.8496 65.8225 141.162 59.7267 -78.8508 59.7268 -81.94 GPRESSURE: 1264800 297.635 4.25608 -109.061 61.3554 143.987 113.824 -96.0103 -3.09698 -67.4504 PRESSAVG: 1264800 6.67574 7.22121 -87.9396 7.22118 -72.3385 -35.6069 -87.9397 -35.6068 16.9784 GPRESSAVG: 1264800 6.1287 6.88172 -89.4221 7.20962 -71.5896 -36.5457 -88.286 -36.2143 16.4696 TIMING: 1264800 CPU: 3770.52, 0.00299972/step Wall: 3770.52, 0.00299972/step, 3.11237 hours remaining, 207.476562 MB of memory in use. ENERGY: 1264800 707.4538 2070.3104 1919.8190 123.4033 -206019.3467 17860.3008 0.0000 0.0000 34529.8865 -148808.1729 301.5581 -183338.0595 -148711.3526 300.2607 93.7756 124.7239 557239.1759 -16.2281 -16.3304 PRESSURE: 1265000 199.056 32.0922 -146.925 32.0916 -86.8277 107.92 -146.923 107.923 -100.073 GPRESSURE: 1265000 115.865 9.09184 -104.355 50.8916 -11.498 -17.8513 -87.2862 155.802 6.29738 PRESSAVG: 1265000 -36.2113 -22.5494 -31.6573 -22.5494 15.4174 25.1704 -31.6572 25.1704 19.1193 GPRESSAVG: 1265000 -35.9652 -19.8731 -29.739 -23.6492 14.6109 25.4867 -32.457 25.4901 19.2195 TIMING: 1265000 CPU: 3771.11, 0.00297001/step Wall: 3771.11, 0.00297001/step, 3.08139 hours remaining, 207.476562 MB of memory in use. ENERGY: 1265000 764.4066 2074.4996 1899.0616 95.9618 -205662.8688 17710.4451 0.0000 0.0000 34299.6379 -148818.8560 299.5473 -183118.4939 -148722.1005 300.0112 4.0519 36.8883 558402.5551 -0.5582 -0.7116 PRESSURE: 1265200 -282.577 -17.9966 -93.0227 -17.9968 1.18827 75.6518 -93.024 75.6516 -75.0574 GPRESSURE: 1265200 -291.554 35.7812 -158.474 -40.6406 40.3546 117.373 6.77138 -9.45634 -11.3446 PRESSAVG: 1265200 18.5557 -1.22504 -12.3059 -1.22493 -2.558 -10.4273 -12.306 -10.4272 -34.9712 GPRESSAVG: 1265200 19.4357 -2.24862 -12.4714 -0.659457 -4.38582 -10.8567 -12.497 -8.6816 -34.1572 TIMING: 1265200 CPU: 3771.71, 0.00298341/step Wall: 3771.71, 0.00298341/step, 3.09512 hours remaining, 207.476562 MB of memory in use. ENERGY: 1265200 798.2136 2107.3408 1911.9784 108.3036 -205709.0558 17714.4529 0.0000 0.0000 34306.3082 -148762.4584 299.6055 -183068.7666 -148671.8468 300.4058 -118.8154 -87.5148 559709.9291 -6.3245 -6.3691 PRESSURE: 1265400 138.37 18.0185 -100.369 18.0169 59.6255 -11.7339 -100.368 -11.7349 49.9935 GPRESSURE: 1265400 161.755 -2.48717 -37.9462 5.63387 53.7055 45.6959 -58.0038 62.9241 130.971 PRESSAVG: 1265400 -1.69422 4.28816 17.2186 4.28806 43.526 42.3222 17.2187 42.3221 -17.072 GPRESSAVG: 1265400 -2.85989 3.9633 15.1163 5.44451 45.0845 43.2983 20.1211 40.7017 -17.6601 TIMING: 1265400 CPU: 3772.3, 0.00297478/step Wall: 3772.3, 0.00297478/step, 3.08601 hours remaining, 207.476562 MB of memory in use. ENERGY: 1265400 760.3717 2009.3641 1931.2684 110.9157 -205731.5359 17906.5443 0.0000 0.0000 34293.3762 -148719.6955 299.4926 -183013.0717 -148622.8029 300.1145 82.6629 115.4774 557895.0798 8.2533 8.1882 PRESSURE: 1265600 161.135 -98.945 19.1424 -98.9431 54.4492 -91.6603 19.142 -91.6607 175.273 GPRESSURE: 1265600 162.151 -86.1651 6.33128 -170.962 82.2013 -13.307 89.1374 -176.143 244.852 PRESSAVG: 1265600 -6.73905 9.58639 -32.8903 9.5863 39.9983 -26.2121 -32.8904 -26.2121 -4.98262 GPRESSAVG: 1265600 -6.93055 7.50446 -32.083 10.3301 40.5302 -25.0954 -34.9318 -26.8054 -5.53842 TIMING: 1265600 CPU: 3772.9, 0.00299537/step Wall: 3772.9, 0.00299537/step, 3.1072 hours remaining, 207.476562 MB of memory in use. ENERGY: 1265600 752.6263 2104.9575 1942.8887 118.4423 -205879.6720 17824.8418 0.0000 0.0000 34367.4563 -148768.4591 300.1395 -183135.9154 -148679.8636 299.8122 130.2857 163.0681 557601.1323 9.4255 9.3537 PRESSURE: 1265800 207.013 -60.2583 -33.6076 -60.26 252.437 88.1689 -33.6082 88.1687 272.761 GPRESSURE: 1265800 260.298 68.9566 -41.7722 -76.2198 267.959 61.7238 -19.9322 121.012 292.353 PRESSAVG: 1265800 -34.6737 9.82166 -40.3653 9.82169 36.5839 -10.7281 -40.3653 -10.7282 20.0533 GPRESSAVG: 1265800 -34.8094 10.507 -39.9656 9.45189 36.1132 -12.6001 -36.9874 -8.46529 20.1273 TIMING: 1265800 CPU: 3773.5, 0.00300255/step Wall: 3773.5, 0.00300255/step, 3.11448 hours remaining, 207.476562 MB of memory in use. ENERGY: 1265800 740.1245 2120.3502 1936.8230 121.6203 -205995.6619 18036.6137 0.0000 0.0000 34278.6505 -148761.4797 299.3640 -183040.1302 -148661.7604 300.6537 244.0704 273.5367 558872.7770 7.3212 7.1437 PRESSURE: 1266000 58.2982 10.491 -2.57103 10.4914 -98.8267 93.8712 -2.57001 93.8686 -186.97 GPRESSURE: 1266000 130.985 35.6333 -40.7685 -10.1924 -61.9611 -14.7926 -125.828 134.521 -190.895 PRESSAVG: 1266000 36.5416 35.1268 -25.6353 35.1268 -13.5093 60.8802 -25.6356 60.8802 -9.36739 GPRESSAVG: 1266000 35.5284 37.3057 -26.0256 33.6438 -12.827 62.46 -28.6444 59.2825 -9.2091 TIMING: 1266000 CPU: 3774.1, 0.00299603/step Wall: 3774.1, 0.00299603/step, 3.10755 hours remaining, 207.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1266000 718.3930 2118.0269 1937.1110 108.6554 -205694.1058 17612.1959 0.0000 0.0000 34493.8149 -148705.9086 301.2431 -183199.7236 -148608.4298 300.4632 -75.8329 -40.6240 559334.5323 4.5550 4.4974 PRESSURE: 1266200 280.614 -10.3452 61.2728 -10.3459 57.1909 -194.082 61.2729 -194.082 549.064 GPRESSURE: 1266200 348.242 -5.03448 59.6852 57.6053 62.6157 -133.244 98.9407 -175.481 566.352 PRESSAVG: 1266200 -12.528 47.2949 0.233021 47.2949 46.2036 60.7987 0.233071 60.7987 -0.39762 GPRESSAVG: 1266200 -10.7551 45.5938 0.532888 49.3513 44.7749 59.7183 0.353667 60.5284 -0.724302 TIMING: 1266200 CPU: 3774.7, 0.00299801/step Wall: 3774.7, 0.00299802/step, 3.10944 hours remaining, 207.476562 MB of memory in use. ENERGY: 1266200 755.7180 2098.5290 1986.3292 99.1318 -206479.8213 18225.6388 0.0000 0.0000 34579.5207 -148734.9537 301.9916 -183314.4744 -148643.1047 301.1680 295.6230 325.7365 558217.5182 11.0927 11.0985 PRESSURE: 1266400 -47.5309 -43.0337 36.0733 -43.0342 26.7204 55.0344 36.0747 55.0337 -3.93853 GPRESSURE: 1266400 -9.54805 -80.0829 107.061 58.7239 84.4403 101.848 -26.4545 -27.5216 -1.77585 PRESSAVG: 1266400 44.1394 37.6765 -5.63908 37.6765 23.3666 -8.23736 -5.63905 -8.23734 -74.4004 GPRESSAVG: 1266400 42.4375 38.9965 -4.1872 37.8724 24.4238 -9.21267 -7.40831 -9.41846 -73.6425 TIMING: 1266400 CPU: 3775.3, 0.00299587/step Wall: 3775.3, 0.00299587/step, 3.10705 hours remaining, 207.476562 MB of memory in use. ENERGY: 1266400 731.1498 2079.8862 1961.8126 105.1154 -206037.5482 17734.8070 0.0000 0.0000 34601.4287 -148823.3485 302.1829 -183424.7772 -148725.5511 300.3561 -8.2497 24.3721 557591.5636 -2.2981 -2.2604 PRESSURE: 1266600 203.286 -62.8072 96.8711 -62.8073 -111.867 48.3566 96.8708 48.3561 -26.688 GPRESSURE: 1266600 212.458 -159.069 67.3698 -58.6601 -89.6518 61.2981 100.61 6.43863 35.0343 PRESSAVG: 1266600 26.1787 15.6692 28.5449 15.6692 -22.2362 -3.28103 28.5449 -3.28105 -15.8135 GPRESSAVG: 1266600 25.834 15.1292 26.8999 15.4997 -21.8959 -3.9825 30.0162 0.0991863 -16.0127 TIMING: 1266600 CPU: 3775.9, 0.00301014/step Wall: 3775.9, 0.00301014/step, 3.12168 hours remaining, 207.476562 MB of memory in use. ENERGY: 1266600 761.5512 2115.7330 1945.4538 106.0501 -205664.5719 17840.3247 0.0000 0.0000 34223.8633 -148671.5958 298.8855 -182895.4591 -148572.6328 299.8945 21.5772 52.6134 559985.2540 -3.9570 -4.0249 PRESSURE: 1266800 133.065 -86.7102 143.48 -86.7103 70.545 86.0768 143.48 86.0766 -201.128 GPRESSURE: 1266800 153.112 -89.6504 66.1374 -52.4533 117.279 125.956 194.749 108.112 -174.682 PRESSAVG: 1266800 -58.0824 -23.4271 50.2743 -23.4271 -7.92191 45.9547 50.2743 45.9548 -7.44598 GPRESSAVG: 1266800 -57.1884 -23.1771 51.158 -23.4246 -7.96146 46.262 50.0718 46.8073 -8.47801 TIMING: 1266800 CPU: 3776.5, 0.00298201/step Wall: 3776.5, 0.00298201/step, 3.09234 hours remaining, 207.476562 MB of memory in use. ENERGY: 1266800 772.4605 2120.4025 1948.8390 112.2483 -205900.3425 17790.3916 0.0000 0.0000 34591.5328 -148564.4677 302.0965 -183156.0005 -148465.4731 300.7777 0.8273 31.9031 558289.0781 -24.4834 -24.5426 PRESSURE: 1267000 187.376 30.6898 17.6322 30.6898 -354.332 -140.249 17.6319 -140.248 69.1386 GPRESSURE: 1267000 212.005 19.0349 28.369 39.758 -273.95 -157.052 95.3798 -98.4911 65.0914 PRESSAVG: 1267000 58.6067 36.0952 20.9381 36.0952 -52.5496 -9.91916 20.9381 -9.91925 14.6757 GPRESSAVG: 1267000 58.8472 35.9994 21.2468 35.3093 -52.8813 -9.73992 22.4253 -11.6495 14.7003 TIMING: 1267000 CPU: 3777.1, 0.00299519/step Wall: 3777.1, 0.00299519/step, 3.10584 hours remaining, 207.476562 MB of memory in use. ENERGY: 1267000 756.7461 2127.5119 1957.9985 118.2085 -205990.9773 17933.0357 0.0000 0.0000 34454.9814 -148642.4952 300.9039 -183097.4766 -148543.7764 301.2294 -32.6058 1.0487 560543.0019 6.9109 6.8887 PRESSURE: 1267200 117.567 -62.3042 75.3941 -62.3033 -48.9171 25.3061 75.3934 25.307 27.3582 GPRESSURE: 1267200 109.524 -50.0284 142.962 -27.1979 -38.596 118.465 40.585 78.4018 108.756 PRESSAVG: 1267200 -62.5176 13.3162 25.4612 13.3163 3.94287 -10.4357 25.4611 -10.4357 48.3898 GPRESSAVG: 1267200 -63.4044 13.0991 24.5572 13.1129 4.39779 -9.5505 24.1097 -10.6682 48.4873 TIMING: 1267200 CPU: 3777.69, 0.00298225/step Wall: 3777.69, 0.00298225/step, 3.09226 hours remaining, 207.476562 MB of memory in use. ENERGY: 1267200 730.7258 2154.5824 1917.3518 116.2161 -206027.7352 17956.0751 0.0000 0.0000 34480.6118 -148672.1719 301.1278 -183152.7838 -148576.4122 300.4895 32.0026 59.8948 558628.6321 -3.3950 -3.5064 PRESSURE: 1267400 -83.5007 199.726 -169.243 199.725 -89.2533 -114.148 -169.242 -114.148 -45.2421 GPRESSURE: 1267400 -65.9025 137.335 -217.243 227.153 -48.8344 -70.4662 -158.354 -192.562 -20.7891 PRESSAVG: 1267400 -1.83527 30.7253 13.1857 30.7253 22.8442 -18.7766 13.1856 -18.7765 23.2002 GPRESSAVG: 1267400 -1.13668 31.9672 13.6353 28.8239 22.5346 -20.0408 12.3482 -17.7599 22.6262 TIMING: 1267400 CPU: 3778.29, 0.00298853/step Wall: 3778.29, 0.00298853/step, 3.09861 hours remaining, 207.476562 MB of memory in use. ENERGY: 1267400 759.9875 2103.7938 1919.5313 112.6984 -205705.8324 17632.0441 0.0000 0.0000 34517.2658 -148660.5116 301.4479 -183177.7774 -148555.6237 301.2319 -72.6654 -45.1753 559136.9325 14.7364 14.6747 PRESSURE: 1267600 -218.224 -150.149 -126.054 -150.149 -183.1 76.4952 -126.054 76.4945 16.2844 GPRESSURE: 1267600 -157.429 -172.322 -148.625 -127.297 -176.815 88.3088 -117.456 68.4455 47.6134 PRESSAVG: 1267600 4.26 -14.0718 -51.3547 -14.0719 -43.4181 -39.8522 -51.3547 -39.8523 41.0809 GPRESSAVG: 1267600 4.01928 -15.45 -52.7457 -11.4419 -44.143 -40.4267 -50.555 -38.6843 41.8982 TIMING: 1267600 CPU: 3778.89, 0.00301118/step Wall: 3778.89, 0.00301118/step, 3.12192 hours remaining, 207.476562 MB of memory in use. ENERGY: 1267600 764.8681 2100.9529 1944.4104 108.6800 -205527.4926 17469.9664 0.0000 0.0000 34503.0894 -148635.5253 301.3241 -183138.6146 -148531.1429 301.3006 -128.3464 -95.5436 557974.1105 0.6409 0.5915 PRESSURE: 1267800 -104.379 171.501 -113.603 171.5 48.8325 149.581 -113.604 149.58 -155.926 GPRESSURE: 1267800 -46.1968 183.796 -88.0462 97.2112 5.4907 162.289 -201.503 54.8637 -79.2616 PRESSAVG: 1267800 43.6823 -33.7929 -1.84919 -33.7929 -100.039 46.9391 -1.84926 46.9392 76.2953 GPRESSAVG: 1267800 43.6071 -34.4298 -1.86393 -34.3894 -99.1871 47.8185 -1.09715 44.1963 75.3463 TIMING: 1267800 CPU: 3779.5, 0.00304113/step Wall: 3779.5, 0.00304113/step, 3.1528 hours remaining, 207.476562 MB of memory in use. ENERGY: 1267800 781.0396 2106.1355 1938.0264 108.3564 -206113.7590 17824.9454 0.0000 0.0000 34498.4657 -148856.7900 301.2837 -183355.2557 -148758.2638 300.8711 -70.4907 -39.9892 558420.6154 6.6462 6.5888 PRESSURE: 1268000 129.142 37.0235 101.388 37.0243 -276.683 53.538 101.388 53.5369 -5.78345 GPRESSURE: 1268000 157.51 84.4208 66.9607 57.6538 -259.717 55.1353 58.0269 55.0478 33.4193 PRESSAVG: 1268000 -1.28346 -25.8749 -19.842 -25.8748 -45.7017 25.427 -19.842 25.427 29.6012 GPRESSAVG: 1268000 -0.310207 -23.5534 -21.4464 -27.5184 -46.8713 25.5007 -19.2862 24.8663 29.0628 TIMING: 1268000 CPU: 3780.11, 0.00301488/step Wall: 3780.11, 0.00301488/step, 3.12543 hours remaining, 207.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1268000 764.3486 2164.6390 1909.3917 115.4329 -206067.5036 17862.7421 0.0000 0.0000 34262.4951 -148988.4543 299.2229 -183250.9493 -148882.9836 300.1515 -51.1080 -22.9294 557613.1328 -5.7947 -6.0395 PRESSURE: 1268200 -206.648 30.5457 89.8062 30.5466 -212.496 147.759 89.8056 147.757 -1.60395 GPRESSURE: 1268200 -147.81 -28.9895 101.385 68.3024 -206.681 90.9455 24.7573 144.149 24.4934 PRESSAVG: 1268200 68.6818 -38.884 26.3002 -38.884 -48.6056 3.26846 26.3002 3.26849 -18.0052 GPRESSAVG: 1268200 68.5084 -38.421 30.9948 -38.5106 -48.824 3.82947 23.2078 4.5647 -17.2288 TIMING: 1268200 CPU: 3780.7, 0.0029856/step Wall: 3780.7, 0.0029856/step, 3.09491 hours remaining, 207.476562 MB of memory in use. ENERGY: 1268200 746.4489 2144.3450 1934.7906 106.2056 -206162.8063 17697.4283 0.0000 0.0000 34409.3638 -149124.2241 300.5055 -183533.5879 -149021.9364 300.1613 -140.2492 -109.9992 557605.2645 0.6903 0.8185 LDB: ============= START OF LOAD BALANCING ============== 3784.25 LDB: ============== END OF LOAD BALANCING =============== 3784.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3784.25 LDB: ============= START OF LOAD BALANCING ============== 3784.55 LDB: Largest compute 4796 load 0.029622 is 25.0% of average load 0.118324 LDB: Average compute 0.001718 is 1.5% of average load 0.118324 LDB: TIME 3784.56 LOAD: AVG 0.118324 MAX 0.211829 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.02 MB LDB: TIME 3784.56 LOAD: AVG 0.118324 MAX 0.211829 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.02 MB LDB: TIME 3784.56 LOAD: AVG 0.118324 MAX 0.211829 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.02 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3784.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3784.56 PRESSURE: 1268400 -230.721 160.032 -28.3659 160.032 -65.2845 -27.7601 -28.366 -27.7608 -193.001 GPRESSURE: 1268400 -161.292 187.759 -139.963 55.7863 -54.3731 14.2258 -11.1993 -85.4784 -177.617 PRESSAVG: 1268400 53.8844 7.82933 11.3105 7.82932 -20.3589 -55.5478 11.3105 -55.5478 -1.52143 GPRESSAVG: 1268400 53.1122 6.91055 7.36617 8.54688 -19.7524 -54.5188 15.9437 -57.0747 -1.84817 TIMING: 1268400 CPU: 3781.31, 0.00304768/step Wall: 3781.31, 0.00304768/step, 3.15909 hours remaining, 208.562500 MB of memory in use. ENERGY: 1268400 750.1829 2135.5213 1967.4598 107.2547 -206166.8162 17674.4931 0.0000 0.0000 34460.4460 -149071.4585 300.9516 -183531.9045 -148978.9283 299.8028 -163.0023 -131.0939 556600.7479 10.6680 10.5039 PRESSURE: 1268600 -122.813 -56.4087 147.33 -56.4091 35.2945 -163.896 147.331 -163.897 90.1728 GPRESSURE: 1268600 -78.6214 -142.414 76.4087 43.9076 40.9558 -107.006 53.1403 -182.106 131.713 PRESSAVG: 1268600 47.7347 23.122 9.73009 23.1221 39.1488 -6.59887 9.73008 -6.59893 -100.72 GPRESSAVG: 1268600 47.4748 20.2218 11.7742 25.2912 38.3959 -6.0586 4.30523 -8.12394 -99.9941 TIMING: 1268600 CPU: 3781.91, 0.00299154/step Wall: 3781.91, 0.00299154/step, 3.10073 hours remaining, 208.562500 MB of memory in use. ENERGY: 1268600 754.0105 2109.3906 1942.0072 121.8633 -206334.8781 17899.0768 0.0000 0.0000 34431.4946 -149077.0350 300.6988 -183508.5296 -148976.3696 300.2325 0.8847 31.3492 556089.0601 -4.6122 -4.7078 PRESSURE: 1268800 -47.071 65.199 -216.361 65.1993 -279.49 113.012 -216.36 113.01 -62.9589 GPRESSURE: 1268800 -47.2353 156.05 -171.577 75.7321 -211.256 157.826 -228.043 78.832 -30.0812 PRESSAVG: 1268800 23.3689 44.763 5.39703 44.7631 -19.4313 -5.99861 5.39698 -5.99846 5.87407 GPRESSAVG: 1268800 22.9423 45.8311 4.1675 42.5493 -18.5743 -8.04673 10.0719 -4.25507 5.55099 TIMING: 1268800 CPU: 3782.5, 0.00297238/step Wall: 3782.5, 0.00297238/step, 3.08071 hours remaining, 208.562500 MB of memory in use. ENERGY: 1268800 736.4741 2105.9171 1920.6673 99.0392 -206092.1009 17789.5052 0.0000 0.0000 34329.0409 -149111.4571 299.8041 -183440.4980 -149012.4240 300.1094 -129.8399 -96.1910 557710.5967 3.2706 3.3063 PRESSURE: 1269000 -349.793 -55.9854 -62.0526 -55.9856 -134.784 135.791 -62.0514 135.792 -291.337 GPRESSURE: 1269000 -361.289 -129.053 -69.2487 -13.8982 -96.0813 122.413 -37.2297 132.917 -206.864 PRESSAVG: 1269000 -14.5756 6.49239 -55.276 6.49243 -15.3454 -9.77221 -55.2759 -9.77221 29.8058 GPRESSAVG: 1269000 -15.0934 4.53269 -54.7789 8.93861 -15.2559 -9.04704 -56.7391 -9.72632 29.9397 TIMING: 1269000 CPU: 3783.11, 0.00300315/step Wall: 3783.11, 0.00300315/step, 3.11243 hours remaining, 208.562500 MB of memory in use. ENERGY: 1269000 740.4021 2038.4834 1925.1117 120.7697 -205386.9682 17446.5227 0.0000 0.0000 34234.9083 -148880.7703 298.9820 -183115.6786 -148776.9612 299.3337 -258.6378 -221.4114 560678.8587 -0.0384 -0.1365 PRESSURE: 1269200 184.985 208.076 232.45 208.075 -19.4275 -17.588 232.45 -17.5891 378.793 GPRESSURE: 1269200 172.576 262.355 207.363 180.335 65.631 -59.0262 230.498 -18.2561 388.946 PRESSAVG: 1269200 8.22869 -23.1569 29.3928 -23.1569 -20.0339 -19.1542 29.3928 -19.1542 72.0493 GPRESSAVG: 1269200 8.10205 -19.5326 27.8663 -25.7063 -20.9202 -21.3145 32.5643 -18.3319 72.8046 TIMING: 1269200 CPU: 3783.7, 0.0029938/step Wall: 3783.7, 0.0029938/step, 3.10258 hours remaining, 208.562500 MB of memory in use. ENERGY: 1269200 724.2372 2147.6359 1970.3518 113.9359 -206348.2338 18128.3240 0.0000 0.0000 34554.5334 -148709.2156 301.7733 -183263.7490 -148603.7531 299.9776 181.4503 209.0508 558113.1544 20.0814 19.9955 PRESSURE: 1269400 59.4869 133.41 170.554 133.409 151.881 180.731 170.554 180.73 -151.504 GPRESSURE: 1269400 113.185 77.2789 149.553 220.222 192.947 54.055 110.003 182.033 -142.696 PRESSAVG: 1269400 -36.3266 17.2426 91.2965 17.2426 -38.9907 -22.9997 91.2964 -22.9996 31.7567 GPRESSAVG: 1269400 -36.2855 16.2636 92.2904 18.3676 -38.8264 -20.492 88.3386 -23.9856 31.8931 TIMING: 1269400 CPU: 3784.3, 0.00297114/step Wall: 3784.3, 0.00297114/step, 3.07892 hours remaining, 208.562500 MB of memory in use. ENERGY: 1269400 748.1318 2107.8226 1953.5872 123.5595 -205898.9772 17806.8039 0.0000 0.0000 34479.2586 -148679.8135 301.1159 -183159.0721 -148594.0531 300.2206 19.9545 54.4784 559778.6280 -14.5202 -14.4063 PRESSURE: 1269600 102.475 139.064 57.0543 139.064 67.5279 25.5416 57.0556 25.5417 102.878 GPRESSURE: 1269600 161.563 165.832 143.565 97.9931 74.0397 52.3361 47.9791 76.426 136.604 PRESSAVG: 1269600 3.72897 13.1449 3.91402 13.1448 -21.4667 -14.8536 3.91415 -14.8534 -9.26051 GPRESSAVG: 1269600 3.80971 12.0216 4.2296 12.0819 -20.7609 -16.2083 6.26029 -15.0815 -10.2162 TIMING: 1269600 CPU: 3784.89, 0.00295441/step Wall: 3784.89, 0.00295441/step, 3.06143 hours remaining, 208.562500 MB of memory in use. ENERGY: 1269600 756.9147 2084.0577 1972.4313 127.9992 -205917.5860 17992.0081 0.0000 0.0000 34264.7012 -148719.4738 299.2422 -182984.1750 -148620.9693 301.2349 90.9603 124.0689 559571.5982 -8.9994 -9.0558 PRESSURE: 1269800 14.8375 -71.5622 125.238 -71.5618 -172.418 -177.918 125.24 -177.918 -74.4697 GPRESSURE: 1269800 97.1814 -30.0413 130.896 -120.527 -141.233 -138.881 119.429 -181.689 -84.7208 PRESSAVG: 1269800 4.39147 -32.956 33.629 -32.956 -44.1671 -40.8949 33.629 -40.8949 8.76836 GPRESSAVG: 1269800 4.26162 -31.834 32.7753 -31.0519 -45.2196 -40.3021 33.1405 -41.6664 9.88289 TIMING: 1269800 CPU: 3785.48, 0.00294928/step Wall: 3785.48, 0.00294928/step, 3.05594 hours remaining, 208.753906 MB of memory in use. ENERGY: 1269800 750.8797 2098.5726 1921.5234 102.0404 -205525.9634 17606.5977 0.0000 0.0000 34338.4746 -148707.8749 299.8864 -183046.3495 -148604.9346 300.7215 -77.3501 -42.9241 559803.9393 -10.3358 -10.3584 PRESSURE: 1270000 279.477 55.2373 55.4986 55.238 -56.8278 -69.3715 55.4997 -69.3696 152.124 GPRESSURE: 1270000 296.912 -0.28359 54.1981 83.6595 -53.9906 -15.94 17.942 -130.798 222.932 PRESSAVG: 1270000 -32.1328 -31.9131 39.1041 -31.9131 -43.5169 -8.04389 39.104 -8.04389 -0.822886 GPRESSAVG: 1270000 -32.1605 -32.2687 38.9363 -35.3837 -44.6316 -7.9149 37.806 -8.13091 0.207913 TIMING: 1270000 CPU: 3786.07, 0.00294255/step Wall: 3786.07, 0.00294255/step, 3.04881 hours remaining, 208.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1270000 768.6487 2128.3697 1960.4373 106.2339 -206442.3637 18208.6718 0.0000 0.0000 34515.8614 -148754.1408 301.4356 -183270.0021 -148662.3795 300.7577 124.9244 155.2845 558994.0256 -25.4909 -25.5280 PRESSURE: 1270200 10.6458 -52.6583 -111.347 -52.6573 -113.887 55.1916 -111.347 55.1925 38.6111 GPRESSURE: 1270200 43.4645 -13.753 -74.2236 -137.673 -93.0114 9.40964 -85.7238 72.4895 90.1103 PRESSAVG: 1270200 -38.7879 18.9873 -24.049 18.9873 -45.3786 2.98579 -24.0491 2.98569 70.2 GPRESSAVG: 1270200 -38.2722 19.394 -24.6378 21.1762 -43.3813 0.718428 -23.9289 1.64475 67.7367 TIMING: 1270200 CPU: 3786.66, 0.00295236/step Wall: 3786.66, 0.00295236/step, 3.05881 hours remaining, 208.753906 MB of memory in use. ENERGY: 1270200 732.4741 2100.4744 1926.3208 123.4168 -205914.6675 17962.1461 0.0000 0.0000 34289.1252 -148780.7101 299.4555 -183069.8353 -148686.8151 300.9688 -21.5434 13.5211 560122.3981 -4.6555 -4.6389 PRESSURE: 1270400 9.076 71.6895 154.818 71.6901 -72.0231 -116.856 154.817 -116.856 109.262 GPRESSURE: 1270400 69.6548 82.3167 122.463 56.8856 -68.3659 -108.926 140.301 -42.6659 134.499 PRESSAVG: 1270400 -7.84226 -1.10667 -30.8824 -1.10665 -46.7963 32.0842 -30.8823 32.0841 59.792 GPRESSAVG: 1270400 -8.11246 -2.63215 -27.5062 -0.634513 -47.8042 35.1629 -31.2088 33.629 61.3035 TIMING: 1270400 CPU: 3787.25, 0.00296912/step Wall: 3787.25, 0.00296912/step, 3.076 hours remaining, 208.824219 MB of memory in use. ENERGY: 1270400 747.8515 2110.0984 1967.0391 106.5773 -205809.7447 17879.0165 0.0000 0.0000 34086.3251 -148912.8369 297.6844 -182999.1620 -148810.8468 300.4977 15.4382 45.2625 558088.2303 1.7178 1.7956 PRESSURE: 1270600 25.4463 217.44 -23.0011 217.44 193.328 79.9322 -23.0008 79.932 159.94 GPRESSURE: 1270600 59.008 227.914 18.1255 151.428 205.586 73.5187 19.4167 112.044 206.892 PRESSAVG: 1270600 -12.4091 -16.7641 51.9635 -16.7641 -20.9485 -17.4294 51.9635 -17.4293 -6.30917 GPRESSAVG: 1270600 -13.6063 -19.9638 50.9561 -13.6783 -20.2861 -19.068 52.3917 -17.8062 -5.45281 TIMING: 1270600 CPU: 3787.85, 0.00297036/step Wall: 3787.85, 0.00297036/step, 3.07713 hours remaining, 208.824219 MB of memory in use. ENERGY: 1270600 727.2477 2099.5310 1940.0222 109.1534 -206357.7038 17994.9020 0.0000 0.0000 34554.6572 -148932.1903 301.7744 -183486.8475 -148831.0822 300.3994 126.2381 157.1619 558045.3617 -13.2223 -13.1151 PRESSURE: 1270800 -220.515 -15.6953 -7.10934 -15.6958 -122.93 -171.794 -7.11002 -171.794 58.6708 GPRESSURE: 1270800 -176.68 -64.9921 -48.8518 19.9771 -68.9359 -240.906 14.275 -73.9598 50.9631 PRESSAVG: 1270800 -7.82091 8.85189 0.0735337 8.85194 4.19215 -9.33361 0.0734738 -9.33357 9.60657 GPRESSAVG: 1270800 -6.46716 11.9261 -0.315133 5.77799 4.36732 -9.39192 0.300006 -8.15649 7.4307 TIMING: 1270800 CPU: 3788.44, 0.00297322/step Wall: 3788.44, 0.00297322/step, 3.07993 hours remaining, 208.824219 MB of memory in use. ENERGY: 1270800 736.8805 2132.1999 1961.8227 117.3204 -205873.5599 17591.0559 0.0000 0.0000 34275.6429 -149058.6377 299.3377 -183334.2806 -148962.5152 299.9693 -94.9245 -64.8844 557157.1382 1.9926 1.7770 PRESSURE: 1271000 -330.647 -149.503 -8.63028 -149.502 -242.143 53.7042 -8.6289 53.7029 -36.1733 GPRESSURE: 1271000 -308.512 -228.226 -48.0163 -152.448 -260.747 76.1038 -8.68086 57.1901 54.3727 PRESSAVG: 1271000 -31.8472 23.3056 36.6835 23.3057 -18.6195 2.79605 36.6835 2.79621 34.2979 GPRESSAVG: 1271000 -31.7146 21.7936 36.2991 23.8928 -18.7363 2.03963 35.9225 2.69265 34.036 TIMING: 1271000 CPU: 3789.03, 0.00296451/step Wall: 3789.03, 0.00296451/step, 3.07073 hours remaining, 208.824219 MB of memory in use. ENERGY: 1271000 768.7954 2107.0300 1955.7085 105.5636 -205904.7827 17514.5877 0.0000 0.0000 34289.6818 -149163.4157 299.4603 -183453.0975 -149069.6771 299.8921 -202.9879 -171.6287 556917.9215 -5.3896 -5.4716 PRESSURE: 1271200 120.276 -69.9828 44.3913 -69.983 197.376 38.2032 44.3927 38.2044 -188.361 GPRESSURE: 1271200 213.75 -117.213 95.0391 -33.4605 205.007 -7.77814 28.5973 77.5754 -184.474 PRESSAVG: 1271200 71.2785 -0.295929 44.877 -0.296021 3.332 15.6385 44.877 15.6387 -64.9884 GPRESSAVG: 1271200 71.589 1.19478 45.2716 0.628465 2.53991 14.7791 45.1337 16.4216 -64.2617 TIMING: 1271200 CPU: 3789.63, 0.00297541/step Wall: 3789.63, 0.00297541/step, 3.08186 hours remaining, 208.824219 MB of memory in use. ENERGY: 1271200 746.5682 2102.4443 1945.7018 108.5530 -205883.3447 17714.0051 0.0000 0.0000 34269.9724 -148996.0999 299.2882 -183266.0723 -148906.9908 299.9257 43.0970 78.0940 555648.5579 3.2073 3.2891 PRESSURE: 1271400 -23.4788 -144.377 -3.07264 -144.377 -113.09 18.9358 -3.07393 18.937 -88.8599 GPRESSURE: 1271400 -35.103 -152.485 9.57514 -148.802 -34.01 -14.0271 70.9441 47.822 -49.8288 PRESSAVG: 1271400 12.7467 -14.3997 8.12825 -14.3998 -9.40009 -1.64417 8.12815 -1.64411 -1.33835 GPRESSAVG: 1271400 11.4783 -14.4273 7.60926 -15.8038 -7.65934 -0.800972 7.72532 -1.8026 -1.44469 TIMING: 1271400 CPU: 3790.23, 0.00299595/step Wall: 3790.23, 0.00299595/step, 3.10297 hours remaining, 208.824219 MB of memory in use. ENERGY: 1271400 737.2172 2137.9160 1938.0727 103.6363 -205958.8864 17620.9741 0.0000 0.0000 34553.1325 -148867.9376 301.7611 -183421.0702 -148774.9914 299.9584 -75.1430 -39.6473 556765.7694 0.6694 0.7914 PRESSURE: 1271600 -258.934 86.3356 -119.476 86.3357 -220.197 -90.2921 -119.475 -90.2927 12.6785 GPRESSURE: 1271600 -214.216 -10.562 -69.8889 195.591 -207.956 -57.6833 -106.523 -78.1339 37.7619 PRESSAVG: 1271600 -55.5988 -24.0634 12.8 -24.0634 50.2609 -16.6774 12.7999 -16.6773 -5.03605 GPRESSAVG: 1271600 -56.8084 -25.89 11.5733 -22.7895 50.6269 -14.8452 15.0571 -19.3093 -4.32195 TIMING: 1271600 CPU: 3790.83, 0.00298756/step Wall: 3790.83, 0.00298756/step, 3.09412 hours remaining, 208.824219 MB of memory in use. ENERGY: 1271600 737.4250 2121.7245 1970.4828 113.3650 -205827.9722 17561.5757 0.0000 0.0000 34437.3451 -148886.0542 300.7499 -183323.3993 -148793.3131 300.0283 -155.4843 -128.1365 557086.6901 -3.4580 -3.5012 PRESSURE: 1271800 -109.293 68.0234 -16.4528 68.0237 49.661 120.374 -16.4529 120.375 -243.268 GPRESSURE: 1271800 -45.7609 39.0564 -84.3169 22.5971 27.1471 127.909 41.7399 66.3418 -186.346 PRESSAVG: 1271800 -76.8654 22.8234 31.0311 22.8235 42.1545 2.05679 31.0311 2.05688 12.9966 GPRESSAVG: 1271800 -75.5522 26.7007 30.6468 19.9012 41.4915 1.2982 30.5473 4.9453 12.6106 TIMING: 1271800 CPU: 3791.42, 0.00298124/step Wall: 3791.42, 0.00298124/step, 3.08741 hours remaining, 208.824219 MB of memory in use. ENERGY: 1271800 720.5566 2099.5238 1943.8350 127.4912 -205908.5657 17582.3544 0.0000 0.0000 34551.9827 -148882.8220 301.7511 -183434.8046 -148790.7399 300.3180 -100.9668 -68.3200 557962.0878 -7.2381 -7.1500 PRESSURE: 1272000 -182.963 -21.3173 119.416 -21.3164 -119.512 125.639 119.417 125.64 58.3651 GPRESSURE: 1272000 -109.31 5.69162 217.647 -4.92692 -46.5639 118.294 57.5422 15.1836 11.0363 PRESSAVG: 1272000 -6.46196 7.68879 23.5257 7.68891 18.2493 -0.469791 23.5257 -0.469832 -19.739 GPRESSAVG: 1272000 -6.42302 6.50382 26.967 8.53333 18.721 0.11062 21.7173 -3.63284 -20.0825 TIMING: 1272000 CPU: 3792.02, 0.00297834/step Wall: 3792.02, 0.00297834/step, 3.08424 hours remaining, 208.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1272000 786.0202 2159.8642 1930.4739 114.0447 -205727.4557 17593.9778 0.0000 0.0000 34387.5154 -148755.5594 300.3147 -183143.0749 -148666.9075 300.4108 -81.3699 -48.2792 557533.3700 -2.6506 -2.5948 PRESSURE: 1272200 107.501 35.1856 -150.86 35.1845 -81.4578 -31.9944 -150.859 -31.9939 136.061 GPRESSURE: 1272200 92.1213 35.1881 -125.611 28.4136 -31.0836 -88.6949 -215.462 -4.32737 185.126 PRESSAVG: 1272200 -4.05372 26.1581 -41.5857 26.1581 -20.0812 -15.6709 -41.5858 -15.6711 44.4906 GPRESSAVG: 1272200 -3.67529 23.9652 -44.5589 26.9271 -20.8212 -18.2023 -40.0989 -11.4251 44.4875 TIMING: 1272200 CPU: 3792.61, 0.00297153/step Wall: 3792.61, 0.00297153/step, 3.07702 hours remaining, 208.824219 MB of memory in use. ENERGY: 1272200 748.5216 2135.8217 1943.8704 102.7566 -205695.4806 17636.1398 0.0000 0.0000 34462.0731 -148666.2973 300.9659 -183128.3704 -148579.3800 300.6507 54.0349 82.0544 557406.5411 6.7852 6.6637 LDB: ============= START OF LOAD BALANCING ============== 3796.16 LDB: ============== END OF LOAD BALANCING =============== 3796.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3796.16 LDB: ============= START OF LOAD BALANCING ============== 3796.46 LDB: Largest compute 4796 load 0.026396 is 22.3% of average load 0.118211 LDB: Average compute 0.001715 is 1.5% of average load 0.118211 LDB: TIME 3796.46 LOAD: AVG 0.118211 MAX 0.208773 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.574 MB LDB: TIME 3796.46 LOAD: AVG 0.118211 MAX 0.208773 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.574 MB LDB: TIME 3796.46 LOAD: AVG 0.118211 MAX 0.208773 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.574 MB LDB: ============== END OF LOAD BALANCING =============== 3796.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3796.47 PRESSURE: 1272400 162.839 37.9494 -66.0387 37.9487 113.623 220.309 -66.0391 220.31 45.8445 GPRESSURE: 1272400 148.799 49.2296 -93.6611 1.95634 134.452 202.601 -78.9103 275.708 122.396 PRESSAVG: 1272400 35.3196 -17.6714 16.6457 -17.6714 -0.240692 -11.2073 16.6457 -11.2074 -10.7329 GPRESSAVG: 1272400 34.33 -14.762 15.6138 -17.8775 -0.114759 -8.45116 17.2473 -14.2238 -10.1816 TIMING: 1272400 CPU: 3793.22, 0.00302135/step Wall: 3793.22, 0.00302135/step, 3.12844 hours remaining, 207.734375 MB of memory in use. ENERGY: 1272400 740.5345 2044.8031 1939.2865 116.8904 -205977.5043 17877.6368 0.0000 0.0000 34350.5285 -148907.8244 299.9917 -183258.3529 -148807.9689 300.6798 107.4353 135.2160 557115.2116 8.1153 8.0112 PRESSURE: 1272600 -337.876 -257.458 -9.75704 -257.458 -256.176 -72.7864 -9.75699 -72.7863 -371.78 GPRESSURE: 1272600 -290.618 -240.404 -31.1024 -138.367 -189.115 -44.8556 2.20023 -69.8968 -399.786 PRESSAVG: 1272600 8.15141 -95.6432 -1.72707 -95.6432 44.5091 18.216 -1.72697 18.216 -36.5827 GPRESSAVG: 1272600 8.23854 -95.9832 0.554232 -95.0233 43.7152 17.1836 -3.21642 18.2503 -36.2561 TIMING: 1272600 CPU: 3793.81, 0.00294782/step Wall: 3793.81, 0.00294782/step, 3.05214 hours remaining, 208.375000 MB of memory in use. ENERGY: 1272600 788.7923 2106.7781 1954.3172 106.0858 -205421.6267 17308.7293 0.0000 0.0000 34209.5940 -148947.3299 298.7609 -183156.9239 -148852.8778 300.0227 -321.9440 -293.1730 557928.3504 5.3593 5.2325 PRESSURE: 1272800 90.2273 35.9638 101.568 35.9629 -214.854 121.418 101.568 121.417 210.31 GPRESSURE: 1272800 129.57 42.6641 168.53 21.7591 -176.532 97.1694 34.6975 49.7365 224.228 PRESSAVG: 1272800 5.45403 -2.8792 -3.04405 -2.87918 31.2291 -25.4698 -3.04402 -25.4697 -18.1425 GPRESSAVG: 1272800 5.74717 -1.89725 -4.25099 -3.20751 31.0397 -25.0665 -4.09398 -26.1515 -18.7233 TIMING: 1272800 CPU: 3794.4, 0.0029534/step Wall: 3794.4, 0.0029534/step, 3.05775 hours remaining, 208.375000 MB of memory in use. ENERGY: 1272800 740.7266 2079.8436 1966.4847 107.1314 -206028.4426 17818.1744 0.0000 0.0000 34369.4934 -148946.5885 300.1573 -183316.0819 -148840.4384 299.8460 28.5609 59.0885 558425.4156 6.1802 6.0212 PRESSURE: 1273000 -102.784 95.2125 -26.8991 95.2112 60.2194 -51.4748 -26.8989 -51.4758 -117.845 GPRESSURE: 1273000 -50.8385 170.013 29.8799 100.079 1.27038 -29.7211 -122.795 -72.9196 -2.57039 PRESSAVG: 1273000 -10.9175 -3.93543 -42.5254 -3.93536 4.42287 6.00297 -42.5254 6.00304 -15.6557 GPRESSAVG: 1273000 -11.9206 -5.60901 -41.0674 -4.1202 4.93273 6.83652 -42.6496 8.23923 -15.3673 TIMING: 1273000 CPU: 3794.99, 0.00297471/step Wall: 3794.99, 0.00297471/step, 3.07965 hours remaining, 208.375000 MB of memory in use. ENERGY: 1273000 755.3848 2095.9659 1948.0627 101.0020 -205736.8877 17842.8357 0.0000 0.0000 34061.5020 -148932.1346 297.4676 -182993.6366 -148841.0192 299.2414 -53.4702 -17.3795 559459.8585 -7.3835 -7.4517 PRESSURE: 1273200 -28.5609 113.965 -3.97991 113.965 -273.459 -4.35807 -3.97905 -4.35808 -92.5603 GPRESSURE: 1273200 -41.0656 107.844 -21.0255 32.732 -184.804 -1.48427 12.7623 -0.337509 -91.0289 PRESSAVG: 1273200 41.7398 21.7394 21.7484 21.7395 -73.2193 -5.67525 21.7484 -5.67533 -21.7645 GPRESSAVG: 1273200 42.563 23.502 21.0609 19.2955 -73.5128 -8.04016 21.4273 -6.38668 -22.373 TIMING: 1273200 CPU: 3795.59, 0.00300245/step Wall: 3795.59, 0.00300245/step, 3.1082 hours remaining, 208.390625 MB of memory in use. ENERGY: 1273200 753.1514 2089.8371 1934.1592 128.7106 -205801.7418 17547.0198 0.0000 0.0000 34426.3040 -148922.5598 300.6535 -183348.8638 -148827.2162 299.5743 -131.5267 -105.6329 558123.1575 -17.7480 -17.7743 PRESSURE: 1273400 168.426 -104.563 -15.0726 -104.564 -179.035 -12.1123 -15.0718 -12.1124 -31.0646 GPRESSURE: 1273400 208.536 -93.2966 -13.9856 -85.5838 -140.429 -6.39305 -50.2179 -45.1331 -5.48323 PRESSAVG: 1273400 39.6085 12.6928 -13.1981 12.6927 -59.6531 20.4813 -13.1982 20.4814 44.9193 GPRESSAVG: 1273400 37.2772 9.41655 -15.2034 15.3834 -57.8102 23.129 -11.1131 19.1958 45.154 TIMING: 1273400 CPU: 3796.18, 0.00296053/step Wall: 3796.18, 0.00296053/step, 3.06464 hours remaining, 208.390625 MB of memory in use. ENERGY: 1273400 727.6544 2049.3606 1929.5016 117.1114 -205982.7595 17692.0262 0.0000 0.0000 34468.1498 -148998.9556 301.0189 -183467.1053 -148902.2725 300.8497 -13.8912 20.8744 557722.5836 8.2916 8.2070 PRESSURE: 1273600 77.8536 74.007 117.194 74.0072 -49.364 27.8037 117.196 27.8032 -70.6877 GPRESSURE: 1273600 153.362 52.5249 125.689 98.2521 -66.3635 6.90721 116.881 40.5685 -41.865 PRESSAVG: 1273600 45.3428 -13.8401 -40.7163 -13.8401 -23.3233 60.3749 -40.7162 60.3749 -5.83457 GPRESSAVG: 1273600 46.7562 -12.2083 -41.3443 -15.3442 -26.2632 60.4658 -39.8449 60.7143 -5.00595 TIMING: 1273600 CPU: 3796.78, 0.00297461/step Wall: 3796.78, 0.00297461/step, 3.07905 hours remaining, 208.390625 MB of memory in use. ENERGY: 1273600 748.2299 2122.5021 1928.7148 110.4766 -205994.0733 17710.7709 0.0000 0.0000 34262.8299 -149110.5491 299.2258 -183373.3790 -149005.9688 300.3961 -14.0660 15.0444 557968.4986 5.3950 5.1623 PRESSURE: 1273800 29.9959 155.75 18.2746 155.75 69.8036 -131.578 18.2745 -131.578 -111.832 GPRESSURE: 1273800 5.90595 125.096 -49.807 142.561 93.409 -93.8527 -21.3759 -143.665 -19.2766 PRESSAVG: 1273800 -23.5894 34.9268 -56.91 34.9267 1.4503 -12.6052 -56.9101 -12.6052 9.50753 GPRESSAVG: 1273800 -24.0083 35.0116 -56.2835 36.5538 2.24392 -12.2864 -57.3019 -12.4892 8.93564 TIMING: 1273800 CPU: 3797.37, 0.00297011/step Wall: 3797.37, 0.00297011/step, 3.07423 hours remaining, 208.390625 MB of memory in use. ENERGY: 1273800 776.2334 2110.2723 1950.8143 114.4871 -206196.2418 17965.1702 0.0000 0.0000 34223.6459 -149055.6186 298.8836 -183279.2645 -148961.1331 299.9273 -4.0108 26.6795 558424.2068 -4.2105 -4.2763 PRESSURE: 1274000 173.009 4.62751 -14.8541 4.62697 215.4 -112.535 -14.854 -112.536 -45.0773 GPRESSURE: 1274000 254.651 -48.4532 -66.4278 35.3262 230.777 -162.852 -1.91216 -105.48 -68.1226 PRESSAVG: 1274000 -4.79376 -51.6514 -40.7759 -51.6514 -2.78844 -7.56045 -40.7758 -7.56033 -22.0868 GPRESSAVG: 1274000 -4.76109 -52.8853 -40.7741 -50.7031 -2.83024 -9.39179 -41.2548 -7.8678 -22.6929 TIMING: 1274000 CPU: 3797.96, 0.00294723/step Wall: 3797.96, 0.00294723/step, 3.05038 hours remaining, 208.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1274000 734.9899 2097.4381 1950.2501 115.4851 -206033.8476 17987.9714 0.0000 0.0000 34240.9099 -148906.8032 299.0344 -183147.7131 -148818.8904 299.8417 114.4439 139.1020 558187.1458 -9.8897 -10.0947 PRESSURE: 1274200 15.3276 -16.7538 180.15 -16.7527 -124.842 2.79387 180.149 2.79303 -3.19994 GPRESSURE: 1274200 15.5978 -20.3291 121.144 8.17933 -65.8178 -6.29707 214.547 -27.0338 35.5577 PRESSAVG: 1274200 10.6973 -21.1448 -19.7265 -21.1448 19.9491 -12.4612 -19.7265 -12.4612 -6.36386 GPRESSAVG: 1274200 10.8259 -19.2961 -17.0773 -24.2801 19.7666 -11.754 -22.3645 -11.3802 -5.55045 TIMING: 1274200 CPU: 3798.56, 0.00296567/step Wall: 3798.56, 0.00296567/step, 3.0693 hours remaining, 208.390625 MB of memory in use. ENERGY: 1274200 757.0977 2110.3375 1937.1314 110.0767 -206235.2985 17847.9591 0.0000 0.0000 34491.5668 -148981.1293 301.2234 -183472.6961 -148890.4248 300.2010 -37.5713 -4.8874 558000.4279 8.0942 8.3473 PRESSURE: 1274400 171.042 40.6559 13.8469 40.656 98.7622 -44.7011 13.8473 -44.7052 121.688 GPRESSURE: 1274400 225.929 15.7796 107.015 29.3756 156.989 56.3155 -31.6104 -87.7487 96.6502 PRESSAVG: 1274400 -13.3298 -52.0322 -25.1574 -52.0322 -13.7876 -27.5732 -25.1575 -27.5731 33.5583 GPRESSAVG: 1274400 -13.1698 -51.893 -27.6229 -50.3301 -14.1829 -28.2785 -22.3363 -27.4168 33.3006 TIMING: 1274400 CPU: 3799.15, 0.00299853/step Wall: 3799.15, 0.00299853/step, 3.10315 hours remaining, 208.390625 MB of memory in use. ENERGY: 1274400 734.7699 2072.6059 1935.0405 114.1210 -206045.0990 17900.5479 0.0000 0.0000 34459.6489 -148828.3648 300.9447 -183288.0137 -148726.4088 300.2332 130.4973 159.8563 557491.5708 2.1470 1.9826 PRESSURE: 1274600 -81.8146 -49.7917 -204.827 -49.7911 252.85 -56.7368 -204.826 -56.7379 30.774 GPRESSURE: 1274600 -64.6469 -104.233 -183.908 -40.011 302.449 -103.113 -135.851 19.2297 47.6983 PRESSAVG: 1274600 -19.8973 2.70924 -27.175 2.70923 48.4149 -8.38813 -27.1749 -8.38818 -40.0874 GPRESSAVG: 1274600 -20.5305 1.60884 -24.8852 3.09915 49.238 -9.04731 -29.3938 -6.82659 -39.862 TIMING: 1274600 CPU: 3799.75, 0.00299138/step Wall: 3799.75, 0.00299138/step, 3.09558 hours remaining, 208.390625 MB of memory in use. ENERGY: 1274600 750.2851 2069.6194 1947.6284 109.5623 -206180.3097 17935.8096 0.0000 0.0000 34563.5677 -148803.8372 301.8522 -183367.4049 -148715.7461 300.3741 67.2699 95.1668 558812.5377 -3.8566 -3.7182 PRESSURE: 1274800 -316.194 65.9601 89.4294 65.9599 56.8645 52.8986 89.4294 52.8986 171.562 GPRESSURE: 1274800 -218.689 130.419 83.8976 120.915 36.5679 142.706 63.8519 -10.7378 168.534 PRESSAVG: 1274800 35.9813 9.72894 -29.5078 9.72891 44.5679 27.727 -29.5079 27.727 -60.479 GPRESSAVG: 1274800 35.0384 10.7162 -30.3416 11.3724 44.5886 29.2572 -27.8978 25.5458 -59.2656 TIMING: 1274800 CPU: 3800.34, 0.00295977/step Wall: 3800.34, 0.00295977/step, 3.06271 hours remaining, 208.390625 MB of memory in use. ENERGY: 1274800 715.3073 2087.8813 1961.5991 119.5268 -205955.4264 17739.2435 0.0000 0.0000 34399.1753 -148932.6930 300.4166 -183331.8683 -148834.9809 299.8963 -29.2558 -4.5293 558876.6560 6.6901 6.7871 PRESSURE: 1275000 -59.7673 -86.1159 -93.5489 -86.1142 -95.8375 40.9702 -93.549 40.9716 -444.564 GPRESSURE: 1275000 18.6336 -149.264 -59.8423 -134.148 -90.3824 94.2683 -100.394 48.079 -437.056 PRESSAVG: 1275000 -12.5721 54.4277 -13.7049 54.4277 57.6545 13.4505 -13.705 13.4506 -86.3271 GPRESSAVG: 1275000 -11.0273 55.542 -13.5818 51.0944 57.2867 12.655 -14.7941 14.0329 -87.2264 TIMING: 1275000 CPU: 3800.94, 0.00295632/step Wall: 3800.94, 0.00295632/step, 3.05897 hours remaining, 208.390625 MB of memory in use. ENERGY: 1275000 774.8259 2095.2098 1944.4166 113.7737 -205605.0077 17502.5589 0.0000 0.0000 34264.5931 -148909.6297 299.2412 -183174.2228 -148811.3301 299.7636 -200.0563 -169.6017 558589.4830 -13.7482 -13.6557 PRESSURE: 1275200 44.1378 30.9115 -156.527 30.9117 182.831 61.2831 -156.527 61.2839 -140.95 GPRESSURE: 1275200 79.1359 107.273 -205.897 9.33413 221.639 55.079 -231.4 112.492 -122.852 PRESSAVG: 1275200 16.69 -14.5061 -13.991 -14.5062 61.1554 23.4421 -13.991 23.4421 -95.8458 GPRESSAVG: 1275200 16.7339 -15.1469 -15.6656 -12.3364 61.4622 24.0247 -14.2052 23.2357 -95.8404 TIMING: 1275200 CPU: 3801.53, 0.00296027/step Wall: 3801.53, 0.00296027/step, 3.0629 hours remaining, 208.390625 MB of memory in use. ENERGY: 1275200 681.1078 2086.9796 1945.2509 119.0023 -205931.1654 17707.8251 0.0000 0.0000 34400.3637 -148990.6359 300.4269 -183390.9996 -148897.4744 300.4829 28.6732 59.3075 558222.8627 -6.0002 -5.8814 PRESSURE: 1275400 147.457 -13.0812 -119.697 -13.0818 118.99 104.445 -119.697 104.444 81.8063 GPRESSURE: 1275400 252.769 18.3778 -127.891 44.7378 124.409 27.8587 -66.1404 145.845 76.864 PRESSAVG: 1275400 29.6086 40.5149 40.8898 40.5149 -2.10608 9.97259 40.8899 9.97257 -12.525 GPRESSAVG: 1275400 29.1711 40.8469 42.1405 40.0287 -1.24519 9.54373 42.7034 9.88865 -12.9741 TIMING: 1275400 CPU: 3802.12, 0.00296077/step Wall: 3802.12, 0.00296077/step, 3.06324 hours remaining, 208.390625 MB of memory in use. ENERGY: 1275400 762.8695 2071.2375 1912.8821 101.0532 -206049.7694 17892.7933 0.0000 0.0000 34379.7090 -148929.2247 300.2465 -183308.9337 -148836.6844 300.4206 116.0844 151.3475 557072.0700 4.9925 4.9839 PRESSURE: 1275600 284.443 -213.919 -62.1923 -213.92 312.114 8.11483 -62.1915 8.11429 274.463 GPRESSURE: 1275600 324.82 -172.465 -83.2719 -248.979 331.067 11.3563 -24.7902 -78.0104 311.667 PRESSAVG: 1275600 33.8828 1.75535 8.61647 1.7554 6.41185 41.1193 8.61662 41.1193 -1.87054 GPRESSAVG: 1275600 33.6221 1.56166 7.33949 2.05523 4.66073 40.6582 7.82299 41.3574 -0.0608388 TIMING: 1275600 CPU: 3802.71, 0.0029626/step Wall: 3802.71, 0.0029626/step, 3.06497 hours remaining, 208.390625 MB of memory in use. ENERGY: 1275600 755.1286 2042.4001 1923.5119 107.7454 -206116.1148 18107.0461 0.0000 0.0000 34064.5491 -149115.7337 297.4942 -183180.2828 -149014.5136 299.8849 290.3402 322.5179 557685.4201 12.8080 12.7407 PRESSURE: 1275800 -52.4179 -29.7133 -96.3571 -29.7143 -298.229 69.5594 -96.3571 69.5568 48.2274 GPRESSURE: 1275800 -7.66708 -27.2528 -133.448 -32.3033 -240.657 142.428 -44.8487 59.7374 39.3598 PRESSAVG: 1275800 -13.3485 15.6203 26.003 15.6203 -25.1494 8.95562 26.003 8.95576 -21.1404 GPRESSAVG: 1275800 -12.8983 15.5574 26.1628 16.358 -24.1882 7.66854 27.3728 10.4884 -22.7296 TIMING: 1275800 CPU: 3803.31, 0.0029721/step Wall: 3803.31, 0.0029721/step, 3.07464 hours remaining, 208.390625 MB of memory in use. ENERGY: 1275800 736.3821 2070.8730 1904.7942 106.0401 -205964.3181 17817.4396 0.0000 0.0000 34257.2393 -149071.5497 299.1770 -183328.7890 -148967.1769 299.8133 -100.8064 -69.6548 558437.7607 -19.8794 -19.9387 PRESSURE: 1276000 87.3706 -108.712 -35.871 -108.711 -253.099 -16.5654 -35.8699 -16.5653 -4.64795 GPRESSURE: 1276000 89.0054 -101.871 19.4131 -95.1749 -227.078 -45.2371 5.46391 -106.817 45.5609 PRESSAVG: 1276000 9.97841 -53.3762 5.36166 -53.3761 8.84261 27.493 5.36176 27.493 13.2037 GPRESSAVG: 1276000 8.88799 -53.5371 6.71099 -54.7753 7.82818 28.8435 4.82738 25.974 14.5653 TIMING: 1276000 CPU: 3803.91, 0.00298935/step Wall: 3803.91, 0.00298935/step, 3.09232 hours remaining, 208.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1276000 743.5075 2131.2239 1938.5394 123.3323 -206137.1403 17736.3246 0.0000 0.0000 34307.4730 -149156.7396 299.6157 -183464.2127 -149056.4100 299.6661 -56.7920 -30.8373 556838.0452 10.6749 10.4272 PRESSURE: 1276200 68.8365 85.6766 -45.645 85.6758 -39.6974 -22.1364 -45.6433 -22.1365 -36.769 GPRESSURE: 1276200 42.0133 56.7383 40.2696 32.2435 6.27821 -13.2431 -88.3132 -17.174 29.831 PRESSAVG: 1276200 -14.2532 16.1938 -20.1508 16.1939 -7.83858 30.8816 -20.1509 30.8817 25.7903 GPRESSAVG: 1276200 -13.7862 15.8747 -21.7622 15.9303 -7.69149 31.4017 -19.7983 28.5253 25.1621 TIMING: 1276200 CPU: 3804.5, 0.00296527/step Wall: 3804.5, 0.00296527/step, 3.06724 hours remaining, 208.390625 MB of memory in use. ENERGY: 1276200 777.8348 2127.9763 1903.4841 117.7967 -206373.3325 17992.3250 0.0000 0.0000 34407.2575 -149046.6581 300.4871 -183453.9156 -148950.9911 300.1596 -2.5433 26.0408 558690.5217 1.2328 1.2281 LDB: ============= START OF LOAD BALANCING ============== 3808.05 LDB: ============== END OF LOAD BALANCING =============== 3808.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3808.05 LDB: ============= START OF LOAD BALANCING ============== 3808.35 LDB: Largest compute 4796 load 0.028543 is 24.2% of average load 0.118127 LDB: Average compute 0.001719 is 1.5% of average load 0.118127 LDB: TIME 3808.35 LOAD: AVG 0.118127 MAX 0.209451 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.676 MB LDB: TIME 3808.35 LOAD: AVG 0.118127 MAX 0.209451 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.676 MB LDB: TIME 3808.35 LOAD: AVG 0.118127 MAX 0.209451 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.676 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3808.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3808.36 PRESSURE: 1276400 -247.34 -105.806 -31.6909 -105.807 -257.476 188.354 -31.691 188.353 -129.532 GPRESSURE: 1276400 -214.583 -12.1579 -4.31517 -118.281 -187.516 74.5183 7.94277 178.375 -145.139 PRESSAVG: 1276400 40.1383 -21.6729 -81.0457 -21.673 -25.5999 44.321 -81.0457 44.3211 7.99292 GPRESSAVG: 1276400 40.169 -19.8764 -81.0169 -23.2123 -26.0858 44.0078 -82.0353 46.3973 7.97778 TIMING: 1276400 CPU: 3805.11, 0.00304982/step Wall: 3805.11, 0.00304982/step, 3.15453 hours remaining, 206.710938 MB of memory in use. ENERGY: 1276400 771.5577 2112.6897 1931.6626 113.7123 -205985.9956 17522.8333 0.0000 0.0000 34378.0002 -149155.5398 300.2316 -183533.5400 -149058.5719 300.3472 -211.4491 -182.4129 558820.3816 7.5104 7.3537 PRESSURE: 1276600 119.987 -185.724 -35.509 -185.724 -86.8391 -24.1877 -35.5076 -24.1894 62.1543 GPRESSURE: 1276600 140.437 -112.909 -47.9483 -204.099 -80.9292 -58.0468 -101.863 49.4186 133.904 PRESSAVG: 1276600 49.7655 -23.0847 -33.4172 -23.0847 18.726 -13.0405 -33.4171 -13.0405 -41.1 GPRESSAVG: 1276600 49.2408 -24.6429 -33.0253 -21.1078 19.0513 -12.068 -32.5654 -12.4706 -41.1768 TIMING: 1276600 CPU: 3805.7, 0.00297525/step Wall: 3805.7, 0.00297525/step, 3.07724 hours remaining, 206.914062 MB of memory in use. ENERGY: 1276600 757.4161 2066.5840 1944.0114 101.8626 -206173.7574 17964.5689 0.0000 0.0000 34225.4947 -149113.8196 298.8998 -183339.3143 -149020.9500 300.4396 31.7673 64.4707 556774.1705 9.1305 9.0384 PRESSURE: 1276800 79.482 30.2217 92.2612 30.2205 118.84 -72.3671 92.2601 -72.3678 271.451 GPRESSURE: 1276800 92.6694 22.3897 27.449 13.3205 197.034 -73.7724 95.6006 -65.8363 284.186 PRESSAVG: 1276800 51.8489 -20.5426 33.7913 -20.5426 -28.4742 7.54072 33.7913 7.54066 -2.87989 GPRESSAVG: 1276800 54.4156 -20.9161 32.3683 -19.917 -30.0226 6.84654 34.0433 7.05078 -3.82152 TIMING: 1276800 CPU: 3806.3, 0.00298491/step Wall: 3806.3, 0.00298491/step, 3.08706 hours remaining, 206.914062 MB of memory in use. ENERGY: 1276800 703.2343 2115.7423 1957.8018 123.6964 -206498.5415 18009.2386 0.0000 0.0000 34337.9981 -149250.8299 299.8823 -183588.8281 -149150.2611 299.6523 156.5909 191.2967 557045.2193 6.8316 6.8572 PRESSURE: 1277000 16.6921 -83.5885 84.1851 -83.5892 -139.303 -191.778 84.1838 -191.777 -479.422 GPRESSURE: 1277000 -11.0643 -42.6761 -5.56695 -148.107 -59.5462 -89.6527 89.7576 -219.395 -424.317 PRESSAVG: 1277000 21.1063 12.0676 -2.08578 12.0676 32.173 -5.79218 -2.08583 -5.79226 -24.117 GPRESSAVG: 1277000 18.6959 12.3079 -2.6229 9.47421 33.8093 -5.52292 -2.69906 -3.65389 -23.3459 TIMING: 1277000 CPU: 3806.89, 0.00296416/step Wall: 3806.89, 0.00296416/step, 3.06544 hours remaining, 206.914062 MB of memory in use. ENERGY: 1277000 762.7298 2132.4621 1956.5221 116.7337 -206224.8622 17614.1902 0.0000 0.0000 34344.0446 -149298.1796 299.9351 -183642.2242 -149204.3393 299.9503 -200.6778 -164.9760 557513.4094 9.7208 9.7198 PRESSURE: 1277200 -199.554 109.71 92.6721 109.709 241.09 110.798 92.6719 110.799 254.174 GPRESSURE: 1277200 -64.8535 48.3988 124.91 101.711 249.815 140.052 77.2276 22.6958 214.993 PRESSAVG: 1277200 -10.9858 28.2598 13.0273 28.2598 -16.1898 -21.9476 13.0273 -21.9477 45.2923 GPRESSAVG: 1277200 -9.89988 28.7003 14.4315 27.7318 -16.4866 -22.0389 14.2297 -25.6114 44.5835 TIMING: 1277200 CPU: 3807.49, 0.00296035/step Wall: 3807.49, 0.00296035/step, 3.06133 hours remaining, 206.914062 MB of memory in use. ENERGY: 1277200 739.5214 2081.5767 1945.0063 109.7730 -206416.7269 17906.7023 0.0000 0.0000 34188.6061 -149445.5410 298.5776 -183634.1472 -149348.3115 298.8749 98.5699 133.3181 556719.1970 6.0389 6.0657 PRESSURE: 1277400 -44.5875 123.143 -144.425 123.144 -137.269 -74.8201 -144.425 -74.8192 75.074 GPRESSURE: 1277400 43.5749 119.531 -131.507 122.806 -113.769 -70.5429 -174.3 -79.2661 45.7357 PRESSAVG: 1277400 -10.9015 43.161 -20.261 43.161 -54.2871 -29.1255 -20.261 -29.1255 49.794 GPRESSAVG: 1277400 -11.2242 41.7089 -20.4854 43.7134 -54.7961 -28.002 -22.116 -28.5631 50.6849 TIMING: 1277400 CPU: 3808.08, 0.00296129/step Wall: 3808.08, 0.00296129/step, 3.06214 hours remaining, 206.914062 MB of memory in use. ENERGY: 1277400 752.4981 2104.8531 1963.7484 125.3569 -206275.4258 17704.3715 0.0000 0.0000 34262.9357 -149361.6622 299.2267 -183624.5979 -149271.8815 299.2126 -35.5940 -8.1527 557484.5240 -5.1315 -5.1118 PRESSURE: 1277600 -72.9696 -63.0659 -2.16259 -63.0653 -67.8872 65.522 -2.16167 65.5228 -7.42574 GPRESSURE: 1277600 -31.7936 -61.2291 -78.7083 -83.382 -22.2848 133.998 47.6584 -28.4115 -4.17147 PRESSAVG: 1277600 16.9706 43.827 8.79282 43.8271 -39.3242 -58.5228 8.79278 -58.5228 7.22493 GPRESSAVG: 1277600 16.4883 43.7141 9.5586 44.6392 -39.4822 -60.9929 9.22188 -58.6774 7.63397 TIMING: 1277600 CPU: 3808.67, 0.00297213/step Wall: 3808.67, 0.00297213/step, 3.07318 hours remaining, 206.914062 MB of memory in use. ENERGY: 1277600 755.1459 2103.1416 1954.6540 118.0078 -206297.8566 17673.6581 0.0000 0.0000 34278.7778 -149414.4714 299.3651 -183693.2492 -149319.6017 298.9325 -49.4275 -19.4166 557448.1892 -5.0429 -5.1199 PRESSURE: 1277800 -26.7399 28.6481 14.2515 28.6496 -456.852 -90.1446 14.2513 -90.1429 -434.024 GPRESSURE: 1277800 -16.6721 24.3194 -16.5369 82.6593 -416.231 -34.8083 -24.1289 -99.4577 -397.179 PRESSAVG: 1277800 59.4915 -12.9565 2.49177 -12.9566 -71.4761 -24.8986 2.49181 -24.8986 8.75376 GPRESSAVG: 1277800 59.1786 -10.2969 4.38467 -13.7468 -70.79 -22.2032 1.30128 -24.0516 8.11144 TIMING: 1277800 CPU: 3809.26, 0.00296178/step Wall: 3809.26, 0.00296178/step, 3.06232 hours remaining, 206.914062 MB of memory in use. ENERGY: 1277800 798.1663 2122.2359 1969.9253 122.0628 -205999.6938 17571.4753 0.0000 0.0000 34166.8162 -149249.0119 298.3873 -183415.8281 -149155.2087 298.4106 -305.8718 -276.6941 558387.1525 -1.0770 -1.1667 PRESSURE: 1278000 -163.724 191.351 -0.0190946 191.349 -124.711 61.1283 -0.0190174 61.1279 -193.196 GPRESSURE: 1278000 -112.69 207.16 30.4266 212.837 -81.156 37.054 0.925719 29.3914 -184.9 PRESSAVG: 1278000 48.1401 11.0523 27.2436 11.0523 6.13456 -34.7727 27.2435 -34.7727 -58.9297 GPRESSAVG: 1278000 48.487 9.40905 24.9571 11.0858 5.41757 -38.9594 29.0451 -34.1479 -58.5513 TIMING: 1278000 CPU: 3809.86, 0.00300144/step Wall: 3809.86, 0.00300144/step, 3.10316 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1278000 740.7014 2081.8541 1949.8184 117.3997 -205927.0942 17551.3850 0.0000 0.0000 34283.9311 -149202.0044 299.4101 -183485.9355 -149106.8348 298.8941 -160.5438 -126.2488 556591.5149 -1.5517 -1.5489 PRESSURE: 1278200 -287.715 -115.423 101.338 -115.424 75.0154 112.202 101.34 112.202 -37.1519 GPRESSURE: 1278200 -295.711 -158.839 106.884 -219.247 143.421 196.655 154.886 84.8707 10.3401 PRESSAVG: 1278200 -7.61603 15.2638 58.9713 15.2639 2.33616 26.7133 58.9712 26.7132 -15.0627 GPRESSAVG: 1278200 -7.48316 13.4606 60.491 16.0522 3.2318 27.6803 58.0704 26.834 -15.6515 TIMING: 1278200 CPU: 3810.46, 0.0029755/step Wall: 3810.46, 0.0029755/step, 3.07617 hours remaining, 206.914062 MB of memory in use. ENERGY: 1278200 712.2323 2077.3916 1955.3714 113.1695 -205946.5374 17616.5097 0.0000 0.0000 34405.7268 -149066.1363 300.4738 -183471.8631 -148973.9030 299.7352 -83.2839 -47.3165 557325.5606 -6.7808 -6.6343 PRESSURE: 1278400 10.0377 -84.2887 125.675 -84.2877 -49.1158 -98.5035 125.674 -98.5033 6.26805 GPRESSURE: 1278400 105.873 -23.3039 -16.7317 -186.112 3.72739 -80.1383 130.58 -162.813 -32.4766 PRESSAVG: 1278400 -0.250095 7.07089 35.6617 7.07087 0.794756 50.5102 35.6617 50.5102 53.972 GPRESSAVG: 1278400 1.10506 7.76957 35.3617 7.16007 0.202999 50.0035 35.9698 51.5205 53.3016 TIMING: 1278400 CPU: 3811.06, 0.00300107/step Wall: 3811.06, 0.00300107/step, 3.10244 hours remaining, 206.914062 MB of memory in use. ENERGY: 1278400 752.0115 2118.4182 1924.7012 113.6888 -205975.5875 17733.3218 0.0000 0.0000 34184.2926 -149149.1535 298.5399 -183333.4462 -149050.7363 299.8548 -10.9367 25.7081 557435.2359 18.1722 18.2032 PRESSURE: 1278600 -298.672 -95.9833 122.084 -95.9841 -297.226 -12.0573 122.085 -12.0582 5.32844 GPRESSURE: 1278600 -252.784 -27.0071 201.985 -222.855 -310.245 35.2927 74.7886 -115.31 59.8174 PRESSAVG: 1278600 19.9451 -2.7402 12.3999 -2.74015 -53.0759 -10.2448 12.4 -10.2451 11.406 GPRESSAVG: 1278600 18.082 -3.33912 11.9657 -4.0214 -52.9185 -9.14141 12.6715 -13.3206 12.6205 TIMING: 1278600 CPU: 3811.66, 0.00301287/step Wall: 3811.66, 0.00301287/step, 3.11447 hours remaining, 206.914062 MB of memory in use. ENERGY: 1278600 769.2652 2068.1449 1969.9664 127.6994 -205687.7995 17488.2961 0.0000 0.0000 34253.2903 -149011.1372 299.1425 -183264.4275 -148913.8497 300.1851 -196.8566 -167.7374 559055.8929 -7.2416 -7.4053 PRESSURE: 1278800 119.295 13.0045 -2.05395 13.0041 -212.491 48.4544 -2.05369 48.4542 -278.853 GPRESSURE: 1278800 175.333 -71.2535 -65.6257 107.739 -233.964 77.3677 119.886 108.385 -210.681 PRESSAVG: 1278800 43.1656 19.3154 5.0902 19.3154 -67.5004 -31.9633 5.09027 -31.9633 -9.05615 GPRESSAVG: 1278800 44.4714 20.1253 4.24684 18.3782 -68.2641 -33.5091 6.8426 -27.918 -9.2922 TIMING: 1278800 CPU: 3812.26, 0.00300167/step Wall: 3812.26, 0.00300167/step, 3.10272 hours remaining, 206.914062 MB of memory in use. ENERGY: 1278800 765.4511 2124.8725 1906.7389 103.8808 -205865.3322 17698.9215 0.0000 0.0000 34352.8219 -148912.6456 300.0117 -183265.4675 -148809.3085 300.2859 -124.0163 -89.7710 558444.3007 -11.1303 -11.0283 PRESSURE: 1279000 -88.1777 -53.7936 -75.6639 -53.7909 -218.213 128.568 -75.6613 128.568 -190.174 GPRESSURE: 1279000 -68.232 -17.2139 -60.915 -18.9896 -177.286 102.876 -19.8237 205.457 -148.624 PRESSAVG: 1279000 -37.3094 -5.78836 2.33104 -5.78841 9.58251 22.5661 2.3311 22.5662 33.9512 GPRESSAVG: 1279000 -38.3192 -4.73521 5.19203 -4.46598 10.6682 24.974 -0.727083 20.2126 33.2184 TIMING: 1279000 CPU: 3812.87, 0.00301465/step Wall: 3812.87, 0.00301465/step, 3.11598 hours remaining, 206.914062 MB of memory in use. ENERGY: 1279000 786.2604 2065.9819 1964.7452 128.3437 -205847.2328 17682.9977 0.0000 0.0000 34399.4731 -148819.4308 300.4192 -183218.9039 -148721.0752 301.2337 -165.5218 -131.3807 559354.4732 2.0748 1.8558 PRESSURE: 1279200 62.6317 -1.16624 20.3869 -1.16635 42.117 47.4875 20.3871 47.4876 2.34005 GPRESSURE: 1279200 49.9285 44.1228 38.3016 22.3206 116.838 -72.1281 38.2612 143.767 35.3953 PRESSAVG: 1279200 54.7636 13.0335 4.50665 13.0335 -61.1798 27.269 4.50674 27.269 37.294 GPRESSAVG: 1279200 54.613 10.6286 2.41467 13.5525 -60.8243 24.3208 4.62792 27.9698 36.4127 TIMING: 1279200 CPU: 3813.46, 0.00297783/step Wall: 3813.46, 0.00297784/step, 3.07776 hours remaining, 206.914062 MB of memory in use. ENERGY: 1279200 783.2017 2147.0650 1915.8517 121.3539 -205977.1987 17847.9260 0.0000 0.0000 34381.1327 -148780.6678 300.2590 -183161.8005 -148687.1390 301.2433 35.6963 67.3874 558432.6531 10.2926 10.0671 PRESSURE: 1279400 103.135 -71.5475 200.29 -71.5477 -96.6526 -67.4768 200.289 -67.4774 -36.7553 GPRESSURE: 1279400 133.105 10.9408 213.411 -163.414 -48.6621 -162.029 208.115 -59.8066 -14.8255 PRESSAVG: 1279400 20.6065 5.77603 35.0894 5.77597 14.5107 -19.3116 35.0894 -19.3117 -50.08 GPRESSAVG: 1279400 21.2511 7.56662 36.5869 1.99274 13.9741 -17.9659 37.4677 -18.2408 -49.8132 TIMING: 1279400 CPU: 3814.06, 0.00299251/step Wall: 3814.06, 0.00299251/step, 3.09275 hours remaining, 206.914062 MB of memory in use. ENERGY: 1279400 738.6400 2102.0816 1937.7067 121.3993 -205899.7197 17789.5400 0.0000 0.0000 34582.2488 -148628.1033 302.0154 -183210.3521 -148525.3488 300.9223 -10.0908 23.2058 558177.5273 -4.9876 -4.8626 PRESSURE: 1279600 -69.5084 97.4083 124.212 97.4082 202.896 -87.5311 124.211 -87.5304 -409.96 GPRESSURE: 1279600 -5.71087 39.7487 176.566 162.62 180.038 -57.3478 127.718 -71.5593 -357.698 PRESSAVG: 1279600 38.3877 23.185 36.1319 23.185 8.75801 -21.9683 36.1319 -21.9683 -33.7252 GPRESSAVG: 1279600 38.6355 23.1216 36.0631 25.4593 8.40915 -20.8266 34.8405 -22.6571 -33.5087 TIMING: 1279600 CPU: 3814.66, 0.00300153/step Wall: 3814.66, 0.00300153/step, 3.10191 hours remaining, 206.914062 MB of memory in use. ENERGY: 1279600 820.0237 2103.2821 1955.7898 107.4821 -205763.5298 17699.0434 0.0000 0.0000 34435.9447 -148641.9639 300.7377 -183077.9086 -148552.9046 301.0975 -92.1910 -61.1235 559093.5468 4.4735 4.5120 PRESSURE: 1279800 6.92916 139.576 92.4111 139.576 -99.0164 -8.49582 92.4107 -8.49675 -157.689 GPRESSURE: 1279800 66.9585 48.7183 54.5241 164.911 -49.9714 -48.0193 65.8817 -5.51187 -176.611 PRESSAVG: 1279800 82.4773 -6.24057 22.7482 -6.24061 3.19635 -34.1326 22.7482 -34.1327 -35.9761 GPRESSAVG: 1279800 81.8117 -7.3525 20.539 -6.38986 3.21076 -35.5513 24.4974 -34.1872 -34.7669 TIMING: 1279800 CPU: 3815.25, 0.00296485/step Wall: 3815.25, 0.00296485/step, 3.06384 hours remaining, 206.914062 MB of memory in use. ENERGY: 1279800 764.4608 2143.2657 1931.0368 118.3347 -205786.9889 17489.7126 0.0000 0.0000 34661.9854 -148678.1929 302.7117 -183340.1784 -148575.8942 301.1191 -83.2586 -53.2081 558711.6662 16.5659 16.7519 PRESSURE: 1280000 -111.892 -15.0056 84.3242 -15.0053 10.2548 11.5807 84.3244 11.58 -187.052 GPRESSURE: 1280000 -73.2662 -92.4432 115.1 28.58 59.6863 43.7727 84.9886 24.6205 -173.848 PRESSAVG: 1280000 -3.38793 -21.6423 11.2182 -21.6424 35.6512 -60.1852 11.2182 -60.1852 -22.2489 GPRESSAVG: 1280000 -3.00113 -21.9834 11.9041 -20.778 36.4974 -60.0522 10.3583 -58.383 -23.8514 TIMING: 1280000 CPU: 3815.86, 0.00301767/step Wall: 3815.86, 0.00301767/step, 3.11826 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1280000 753.1270 2067.3264 1969.2133 115.9601 -205731.6655 17488.8560 0.0000 0.0000 34516.7636 -148820.4192 301.4435 -183337.1827 -148714.4526 300.8468 -96.2296 -62.4760 555704.8618 3.3381 3.2149 PRESSURE: 1280200 -120.172 8.32452 39.5224 8.32407 -23.0975 -54.4657 39.5215 -54.4663 -359.855 GPRESSURE: 1280200 -59.0171 43.5208 33.0955 -45.4862 -63.002 -74.6373 90.0678 -127.891 -284.553 PRESSAVG: 1280200 33.1519 20.8244 82.6587 20.8243 18.4561 -6.48252 82.6587 -6.48247 -43.4294 GPRESSAVG: 1280200 32.3616 20.5908 82.2971 21.3089 18.5914 -6.24407 82.8386 -7.14361 -43.0283 TIMING: 1280200 CPU: 3816.46, 0.00302099/step Wall: 3816.46, 0.00302099/step, 3.12152 hours remaining, 206.914062 MB of memory in use. ENERGY: 1280200 733.6583 2110.5573 1938.2772 106.4367 -205734.3918 17426.4492 0.0000 0.0000 34478.3878 -148940.6253 301.1083 -183419.0132 -148844.8621 300.5212 -167.7082 -135.5240 556665.8385 2.7262 2.6416 LDB: ============= START OF LOAD BALANCING ============== 3820.01 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3820.01 LDB: =============== DONE WITH MIGRATION ================ 3820.01 LDB: ============= START OF LOAD BALANCING ============== 3820.31 LDB: Largest compute 4796 load 0.031139 is 26.3% of average load 0.118232 LDB: Average compute 0.001726 is 1.5% of average load 0.118232 LDB: TIME 3820.31 LOAD: AVG 0.118232 MAX 0.207397 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 3820.31 LOAD: AVG 0.118232 MAX 0.207397 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.426 MB LDB: TIME 3820.31 LOAD: AVG 0.118232 MAX 0.207397 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.426 MB LDB: ============== END OF LOAD BALANCING =============== 3820.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3820.32 PRESSURE: 1280400 122.073 16.282 -230.416 16.2827 66.7086 -50.2145 -230.415 -50.2153 91.7342 GPRESSURE: 1280400 158.955 26.6817 -262.308 -43.6114 123.5 -75.9585 -207.943 68.3958 92.0333 PRESSAVG: 1280400 -37.4815 -51.6544 -44.6607 -51.6545 4.47103 8.30393 -44.6607 8.30403 -6.76646 GPRESSAVG: 1280400 -37.3435 -48.4943 -44.3057 -55.0652 4.72242 6.73921 -43.6692 6.6468 -6.05955 TIMING: 1280400 CPU: 3817.07, 0.0030233/step Wall: 3817.07, 0.0030233/step, 3.12374 hours remaining, 206.199219 MB of memory in use. ENERGY: 1280400 748.2252 2208.0100 1953.4778 110.0186 -206145.1694 17942.3001 0.0000 0.0000 34269.6466 -148913.4911 299.2853 -183183.1377 -148819.3399 300.2279 93.5053 124.8293 558238.4557 -13.2590 -12.8936 PRESSURE: 1280600 110.562 -31.7237 210.536 -31.723 -111.037 48.7148 210.536 48.7133 -34.0371 GPRESSURE: 1280600 146.234 -92.8686 199.462 19.3153 -73.7542 97.7792 244.555 -15.8042 -15.3749 PRESSAVG: 1280600 46.0295 16.0387 3.73885 16.0387 -12.6611 -26.4931 3.73883 -26.4932 -17.4346 GPRESSAVG: 1280600 45.7094 14.3511 5.51952 17.9557 -12.0878 -26.3915 1.5953 -25.6063 -18.0511 TIMING: 1280600 CPU: 3817.66, 0.00296564/step Wall: 3817.66, 0.00296564/step, 3.064 hours remaining, 206.199219 MB of memory in use. ENERGY: 1280600 769.1709 2127.9221 1939.5979 115.6162 -206303.2302 18103.3028 0.0000 0.0000 34277.7315 -148969.8888 299.3560 -183247.6204 -148872.8249 300.2765 -11.5041 19.0348 558238.4113 5.3113 5.1901 PRESSURE: 1280800 259.436 -19.9336 20.9151 -19.9339 -6.30904 21.0505 20.9135 21.052 97.4433 GPRESSURE: 1280800 307.049 -59.3027 98.9639 12.6602 37.8865 127.219 15.7012 1.04883 119.753 PRESSAVG: 1280800 1.60129 -33.6511 12.7621 -33.6512 -28.3256 -0.634168 12.7621 -0.634159 -28.5844 GPRESSAVG: 1280800 2.37543 -32.9584 11.3659 -34.7263 -29.9029 2.06431 14.5879 -2.36431 -27.92 TIMING: 1280800 CPU: 3818.25, 0.00296782/step Wall: 3818.25, 0.00296782/step, 3.06608 hours remaining, 206.199219 MB of memory in use. ENERGY: 1280800 765.8367 2144.9807 1948.6082 116.6380 -205957.7658 17932.1722 0.0000 0.0000 34138.5074 -148911.0225 298.1401 -183049.5299 -148824.9946 300.3675 116.8569 154.8963 558632.4136 -18.4362 -18.4825 PRESSURE: 1281000 -208.359 129.16 17.7441 129.16 49.1803 -11.9399 17.7435 -11.9414 -262.147 GPRESSURE: 1281000 -171.807 122.061 -101.588 100.56 54.2989 -85.7073 97.9015 74.0609 -204.648 PRESSAVG: 1281000 68.9793 -28.8341 6.98336 -28.8341 -0.63712 19.4256 6.98329 19.4255 -8.80313 GPRESSAVG: 1281000 68.343 -29.9167 6.51697 -28.4547 -0.297089 17.7587 6.77393 21.1021 -8.10987 TIMING: 1281000 CPU: 3818.85, 0.00297387/step Wall: 3818.85, 0.00297387/step, 3.07217 hours remaining, 206.199219 MB of memory in use. ENERGY: 1281000 739.2937 2100.1901 1943.7263 121.8092 -205846.3898 17634.6482 0.0000 0.0000 34271.6111 -149035.1112 299.3025 -183306.7223 -148937.0530 300.3863 -140.4419 -107.3855 558939.0894 19.8464 19.9787 PRESSURE: 1281200 -271.508 53.525 12.8669 53.5234 -159.785 62.509 12.8685 62.5115 -303.67 GPRESSURE: 1281200 -231.906 112.41 34.5723 66.9767 -179.989 5.20065 -63.3091 29.8618 -220.483 PRESSAVG: 1281200 2.99261 -5.38731 -26.4562 -5.38739 30.7215 16.8861 -26.4561 16.8862 -53.0386 GPRESSAVG: 1281200 3.76053 -5.2959 -27.2734 -3.63348 31.051 17.8628 -27.187 16.2973 -53.8149 TIMING: 1281200 CPU: 3819.44, 0.00298394/step Wall: 3819.44, 0.00298394/step, 3.08241 hours remaining, 206.199219 MB of memory in use. ENERGY: 1281200 749.0851 2061.8029 1935.1428 122.8509 -206109.2434 17644.2666 0.0000 0.0000 34489.6320 -149106.4631 301.2065 -183596.0951 -149004.1181 299.8236 -244.9879 -210.7926 558740.1802 -6.4415 -6.3345 PRESSURE: 1281400 -155.521 21.1773 -5.3062 21.1776 -243.561 119.087 -5.30588 119.086 150.03 GPRESSURE: 1281400 -116.183 44.796 -4.28508 -82.0316 -222.762 98.9362 -27.447 79.9844 186.817 PRESSAVG: 1281400 64.7061 -37.4764 21.6825 -37.4763 -58.9373 -41.0017 21.6825 -41.0017 8.9691 GPRESSAVG: 1281400 65.1469 -36.6617 24.8413 -38.0932 -59.7136 -41.5607 21.0469 -40.7396 9.47706 TIMING: 1281400 CPU: 3820.04, 0.00300029/step Wall: 3820.04, 0.00300029/step, 3.09914 hours remaining, 206.199219 MB of memory in use. ENERGY: 1281400 751.9391 2174.9168 1930.5909 104.6406 -206246.5180 17720.1782 0.0000 0.0000 34335.1490 -149229.1035 299.8574 -183564.2525 -149126.6474 299.9106 -83.0172 -50.7092 558915.6968 4.9127 4.9701 PRESSURE: 1281600 184.509 -149.338 169.364 -149.338 -73.8539 -175.236 169.364 -175.237 55.4913 GPRESSURE: 1281600 195.398 -110.18 218.891 -17.2972 24.28 -197.356 120.975 -91.4264 47.1109 PRESSAVG: 1281600 19.235 -11.5377 30.756 -11.5377 45.9398 32.9277 30.756 32.9277 -57.0489 GPRESSAVG: 1281600 18.8857 -14.3807 28.7171 -10.1023 46.0857 31.9644 31.0889 33.8489 -56.7907 TIMING: 1281600 CPU: 3820.64, 0.00298025/step Wall: 3820.64, 0.00298025/step, 3.07827 hours remaining, 206.199219 MB of memory in use. ENERGY: 1281600 740.1530 2093.5277 1947.7516 117.8209 -206490.1550 17946.0441 0.0000 0.0000 34371.8237 -149273.0340 300.1777 -183644.8577 -149176.3678 299.8474 55.3822 88.9295 557940.6226 2.7086 2.7269 PRESSURE: 1281800 -155.06 -63.4168 6.35099 -63.4162 -22.9856 89.5443 6.35162 89.5445 -118.049 GPRESSURE: 1281800 -86.0857 -19.4762 47.4405 -78.222 16.3096 89.543 16.8761 53.2305 -122.509 PRESSAVG: 1281800 22.1918 2.48102 -29.9693 2.48095 4.71866 -18.3691 -29.9693 -18.3691 -0.0794469 GPRESSAVG: 1281800 22.4365 3.85158 -30.8799 0.827271 5.42885 -15.5171 -29.923 -22.0507 -0.486891 TIMING: 1281800 CPU: 3821.23, 0.00295195/step Wall: 3821.23, 0.00295195/step, 3.04887 hours remaining, 206.199219 MB of memory in use. ENERGY: 1281800 707.1284 2166.6768 1936.6282 115.0469 -206083.8017 17778.6554 0.0000 0.0000 34307.7469 -149071.9191 299.6181 -183379.6660 -148978.8047 299.5056 -98.6981 -64.0949 560578.3285 8.9437 9.1261 PRESSURE: 1282000 228.594 58.4672 227.616 58.4673 -2.30935 -68.6311 227.616 -68.6307 122.165 GPRESSURE: 1282000 305.558 -22.3863 229.158 40.3982 18.4188 5.28031 184.127 -147.236 117.301 PRESSAVG: 1282000 92.6804 -33.8601 65.4229 -33.8601 -104.158 16.7927 65.4229 16.7927 1.06232 GPRESSAVG: 1282000 92.7295 -34.2041 65.5803 -32.0613 -103.682 14.6401 64.5836 16.9371 0.416584 TIMING: 1282000 CPU: 3821.82, 0.00297396/step Wall: 3821.82, 0.00297396/step, 3.07144 hours remaining, 206.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1282000 738.0162 2121.0246 1938.6071 121.4549 -206541.2054 18057.7527 0.0000 0.0000 34409.2535 -149155.0964 300.5046 -183564.3499 -149063.8066 299.7630 116.1496 147.0926 558543.1944 -3.4716 -3.5121 PRESSURE: 1282200 -172.609 25.1849 53.2859 25.1846 142.173 141.283 53.2857 141.283 -0.4151 GPRESSURE: 1282200 -38.0703 -67.8648 33.3666 48.6631 167.732 79.5344 76.6181 137.325 -57.4508 PRESSAVG: 1282200 -15.8317 -3.05182 28.7627 -3.0519 -38.2146 13.2444 28.7626 13.2444 5.5932 GPRESSAVG: 1282200 -17.5092 -4.20047 28.5835 -3.49833 -37.9371 12.9157 28.363 14.2424 7.3654 TIMING: 1282200 CPU: 3822.42, 0.002986/step Wall: 3822.42, 0.002986/step, 3.08371 hours remaining, 206.199219 MB of memory in use. ENERGY: 1282200 714.6095 2092.9143 1947.5780 117.9084 -206071.7049 17712.0500 0.0000 0.0000 34213.4294 -149273.2152 298.7944 -183486.6446 -149181.2248 299.8613 -10.2840 24.0704 558816.2820 -16.1510 -16.0269 PRESSURE: 1282400 16.2762 -40.964 50.8458 -40.9643 177.143 -0.490426 50.846 -0.491394 -27.6231 GPRESSURE: 1282400 56.9552 -73.5428 -6.37409 11.6739 215.153 34.8633 79.6933 -65.3753 2.5454 PRESSAVG: 1282400 -54.2865 -26.0204 44.4573 -26.0203 44.9578 23.3552 44.4572 23.3551 39.6311 GPRESSAVG: 1282400 -52.6529 -24.517 44.7517 -26.5451 43.2926 24.9541 44.945 23.6684 39.8213 TIMING: 1282400 CPU: 3823.02, 0.00297742/step Wall: 3823.02, 0.00297742/step, 3.07468 hours remaining, 206.199219 MB of memory in use. ENERGY: 1282400 689.3282 2084.2997 1917.5094 104.0423 -206344.4775 17924.6129 0.0000 0.0000 34541.6777 -149083.0074 301.6611 -183624.6851 -148984.8816 299.9954 55.2654 91.5513 557506.0348 10.1008 10.1537 PRESSURE: 1282600 164.195 45.6169 -29.7134 45.6167 119.903 116.182 -29.7136 116.182 59.714 GPRESSURE: 1282600 164.343 80.7665 -52.4835 73.3419 163.331 45.8255 3.91301 158.246 111.591 PRESSAVG: 1282600 12.6842 -7.0871 46.3017 -7.08713 -1.17218 15.1039 46.3018 15.1039 11.8047 GPRESSAVG: 1282600 13.2464 -7.6166 45.1642 -6.93424 -0.603509 14.7807 48.5141 16.0725 11.2236 TIMING: 1282600 CPU: 3823.62, 0.00299721/step Wall: 3823.62, 0.00299721/step, 3.09495 hours remaining, 206.199219 MB of memory in use. ENERGY: 1282600 756.0370 2145.2025 1924.4785 111.5587 -206108.6438 17858.0247 0.0000 0.0000 34217.6195 -149095.7228 298.8310 -183313.3423 -148997.1432 300.3103 114.6037 146.4217 558009.9705 7.7722 7.9555 PRESSURE: 1282800 -22.13 189.362 63.6998 189.363 -109.088 62.6347 63.6995 62.6332 113.28 GPRESSURE: 1282800 52.6947 164.295 151.263 156.611 -80.9963 59.0259 24.8937 9.06212 120.904 PRESSAVG: 1282800 -33.5885 -3.05166 35.2546 -3.05171 2.20489 25.4912 35.2547 25.4912 -1.42757 GPRESSAVG: 1282800 -33.9106 -4.01336 35.2752 -2.25871 1.75795 23.3765 34.0801 25.0902 -0.980371 TIMING: 1282800 CPU: 3824.21, 0.00297984/step Wall: 3824.21, 0.00297984/step, 3.07685 hours remaining, 206.199219 MB of memory in use. ENERGY: 1282800 775.8717 2141.0514 1930.5330 101.6542 -205828.5307 17596.3260 0.0000 0.0000 34306.5861 -148976.5083 299.6079 -183283.0944 -148875.4080 300.4284 -5.9794 30.8676 556824.0292 -10.9370 -11.0444 PRESSURE: 1283000 -204.32 105.186 137.053 105.185 -0.940406 -109.183 137.053 -109.184 -391.857 GPRESSURE: 1283000 -188.342 54.6331 137.549 125.509 55.9902 -117.099 144.333 -94.7337 -374.932 PRESSAVG: 1283000 -4.27747 41.1844 20.1499 41.1846 -51.0257 -7.44325 20.1498 -7.44329 53.5187 GPRESSAVG: 1283000 -4.60976 40.8094 21.3696 41.8096 -50.808 -4.91279 19.97 -9.45906 53.7241 TIMING: 1283000 CPU: 3824.81, 0.00298096/step Wall: 3824.81, 0.00298096/step, 3.07784 hours remaining, 206.199219 MB of memory in use. ENERGY: 1283000 720.7885 2145.4852 1932.0632 106.5371 -205892.2096 17592.5737 0.0000 0.0000 34392.2815 -149002.4805 300.3563 -183394.7620 -148906.6271 300.7511 -199.0390 -169.0948 558317.0893 -0.5948 -0.5646 PRESSURE: 1283200 -78.3305 -4.89347 0.469934 -4.89294 4.21548 84.0637 0.470504 84.0626 54.2947 GPRESSURE: 1283200 -85.2062 17.8607 -10.3001 -55.3933 69.3908 140.508 63.2099 65.2613 89.0193 PRESSAVG: 1283200 10.2983 -46.2472 10.6017 -46.2472 -14.3863 -16.2493 10.6017 -16.2493 50.0127 GPRESSAVG: 1283200 10.2305 -44.492 9.7752 -48.4321 -13.8969 -16.73 11.5739 -14.1381 49.357 TIMING: 1283200 CPU: 3825.41, 0.00299251/step Wall: 3825.41, 0.00299251/step, 3.0896 hours remaining, 206.199219 MB of memory in use. ENERGY: 1283200 757.0485 2056.7771 1940.3261 120.1680 -206420.0341 17951.5725 0.0000 0.0000 34407.8947 -149186.2472 300.4927 -183594.1420 -149094.2190 299.8914 -6.6068 24.4013 558146.6290 15.3082 15.2302 PRESSURE: 1283400 -60.894 -76.724 119.049 -76.7255 -37.1304 50.7762 119.049 50.7746 -103.971 GPRESSURE: 1283400 -42.088 35.4826 182.242 -150.296 7.81473 60.7363 124.62 4.50158 -66.2232 PRESSAVG: 1283400 -34.9328 -13.9165 9.70406 -13.9167 33.835 45.6303 9.70414 45.6303 23.7909 GPRESSAVG: 1283400 -34.1102 -14.3358 9.5569 -11.6665 34.0698 44.1673 8.31981 46.8268 23.2888 TIMING: 1283400 CPU: 3826.01, 0.00299759/step Wall: 3826.01, 0.00299759/step, 3.09468 hours remaining, 206.199219 MB of memory in use. ENERGY: 1283400 727.1462 2087.1181 1946.9437 111.7507 -206363.4668 17932.8383 0.0000 0.0000 34523.3227 -149034.3471 301.5008 -183557.6698 -148931.0986 300.4112 -67.3318 -33.4988 558838.1030 7.5644 7.7495 PRESSURE: 1283600 44.696 -118.153 -79.874 -118.153 354.139 156.345 -79.874 156.346 -430.396 GPRESSURE: 1283600 87.2254 -39.0518 -78.6907 -124.763 337.091 123.787 -129.795 158.173 -346.749 PRESSAVG: 1283600 -24.1029 -17.8305 24.6525 -17.8305 74.4764 19.821 24.6526 19.821 -57.822 GPRESSAVG: 1283600 -25.2664 -16.9316 25.6932 -18.8286 74.5482 20.969 24.8694 18.4729 -56.8106 TIMING: 1283600 CPU: 3826.6, 0.00298333/step Wall: 3826.6, 0.00298333/step, 3.07979 hours remaining, 206.199219 MB of memory in use. ENERGY: 1283600 705.7408 2071.5637 1934.8661 110.3837 -206090.5786 17769.4319 0.0000 0.0000 34286.8550 -149211.7374 299.4356 -183498.5924 -149115.2494 299.6956 -10.5202 25.8558 558000.8386 -2.4829 -2.5096 PRESSURE: 1283800 -105.396 79.4494 58.5846 79.4501 -242.066 -3.36861 58.5852 -3.36804 -265.788 GPRESSURE: 1283800 -85.3777 101.838 -2.71581 77.4119 -213.541 8.32285 76.1235 26.6036 -217.573 PRESSAVG: 1283800 90.7506 -17.952 -4.68277 -17.9521 45.0759 49.1738 -4.68282 49.1737 -91.1725 GPRESSAVG: 1283800 90.7167 -18.9287 -5.04928 -17.5168 44.4162 51.2024 -4.50144 48.6493 -91.0306 TIMING: 1283800 CPU: 3827.21, 0.00300593/step Wall: 3827.21, 0.00300593/step, 3.10295 hours remaining, 206.199219 MB of memory in use. ENERGY: 1283800 733.8003 2066.2459 1896.9199 109.8289 -205712.0302 17456.7411 0.0000 0.0000 34361.6941 -149086.8000 300.0892 -183448.4941 -148991.6993 299.1489 -204.4169 -172.1640 557446.5362 14.8847 14.7007 PRESSURE: 1284000 114.182 -100.777 -59.3624 -100.777 -119.216 23.8173 -59.3623 23.8173 -65.4725 GPRESSURE: 1284000 119.076 -80.6776 -67.8204 -86.0575 -63.0965 -39.748 -83.5561 -23.0659 -29.69 PRESSAVG: 1284000 -30.9417 -65.4393 9.39751 -65.4393 100.641 11.0926 9.39748 11.0926 -78.5013 GPRESSAVG: 1284000 -30.9637 -65.9412 9.65101 -66.7094 100.452 10.4456 9.91161 11.3382 -78.426 TIMING: 1284000 CPU: 3827.8, 0.00296956/step Wall: 3827.8, 0.00296956/step, 3.06525 hours remaining, 206.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1284000 770.9954 2125.9878 1933.7828 108.3313 -206159.7428 17882.8853 0.0000 0.0000 34475.8828 -148861.8774 301.0865 -183337.7602 -148775.6845 300.2601 -23.5021 8.7633 557842.6115 -2.9341 -2.9791 PRESSURE: 1284200 5.27955 36.6967 -52.3433 36.6965 -187.919 -42.5944 -52.3432 -42.5948 38.7685 GPRESSURE: 1284200 39.9153 40.7024 -16.3575 19.0231 -139.36 -107.424 -113.312 -15.5144 46.0004 PRESSAVG: 1284200 48.1749 -3.39156 13.9631 -3.39155 41.6123 -14.6613 13.9631 -14.6612 -77.9585 GPRESSAVG: 1284200 48.2435 -3.65642 13.935 -2.71211 41.0581 -12.5749 13.5022 -14.6365 -78.1249 TIMING: 1284200 CPU: 3828.39, 0.00296948/step Wall: 3828.39, 0.00296948/step, 3.065 hours remaining, 206.199219 MB of memory in use. ENERGY: 1284200 732.5200 2082.3652 1922.5139 124.7645 -205943.9246 17753.0499 0.0000 0.0000 34427.5846 -148901.1264 300.6647 -183328.7110 -148805.8879 299.9003 -47.9571 -17.8149 557963.7393 3.9429 3.7255 LDB: ============= START OF LOAD BALANCING ============== 3831.94 LDB: ============== END OF LOAD BALANCING =============== 3831.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3831.94 LDB: ============= START OF LOAD BALANCING ============== 3832.24 LDB: Largest compute 4796 load 0.031412 is 26.6% of average load 0.118171 LDB: Average compute 0.001726 is 1.5% of average load 0.118171 LDB: TIME 3832.24 LOAD: AVG 0.118171 MAX 0.207998 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 3832.24 LOAD: AVG 0.118171 MAX 0.207998 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: TIME 3832.24 LOAD: AVG 0.118171 MAX 0.207998 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3832.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3832.25 PRESSURE: 1284400 -74.0924 103.212 -112.015 103.213 69.7138 -0.996826 -112.015 -0.996681 -125.921 GPRESSURE: 1284400 -44.4987 50.7629 -71.3763 66.1143 59.7526 8.53331 -135.734 -7.20588 -48.3912 PRESSAVG: 1284400 -16.883 27.3198 -22.6918 27.3198 2.76114 -10.7583 -22.6919 -10.7584 1.84313 GPRESSAVG: 1284400 -16.4117 26.6439 -21.1361 27.0036 2.41708 -13.317 -22.5666 -9.68732 1.75244 TIMING: 1284400 CPU: 3829, 0.00302876/step Wall: 3829, 0.00302876/step, 3.12602 hours remaining, 207.992188 MB of memory in use. ENERGY: 1284400 746.4581 2055.1834 1933.5056 114.9172 -206063.2753 17779.2282 0.0000 0.0000 34433.0149 -149000.9679 300.7121 -183433.9828 -148903.5057 299.6604 -43.4332 -11.0458 557016.9938 -4.0929 -4.0807 PRESSURE: 1284600 1.96972 -74.1417 -62.0176 -74.1417 70.6876 -66.0223 -62.017 -66.0222 -152.979 GPRESSURE: 1284600 23.3298 -65.431 -96.8566 -48.2418 129.729 -4.81131 -53.4909 -18.5324 -130.016 PRESSAVG: 1284600 7.55685 23.1854 -83.4799 23.1854 21.2505 6.89444 -83.4798 6.89448 -14.3852 GPRESSAVG: 1284600 5.73942 24.0658 -83.8572 22.4226 23.3442 7.70655 -83.895 7.10305 -14.4028 TIMING: 1284600 CPU: 3829.59, 0.00297004/step Wall: 3829.59, 0.00297004/step, 3.06524 hours remaining, 207.992188 MB of memory in use. ENERGY: 1284600 760.3392 2060.7021 1957.4409 113.9120 -206022.9676 17913.3294 0.0000 0.0000 34203.6352 -149013.6088 298.7089 -183217.2440 -148916.2030 300.4225 -26.7740 7.6809 559055.5888 4.8074 4.8936 PRESSURE: 1284800 -10.7342 -129.871 -213.821 -129.872 -231.925 37.3749 -213.821 37.3761 -77.0055 GPRESSURE: 1284800 -4.80469 -75.2498 -287.295 -194.021 -177.242 82.723 -169.744 6.04231 -49.0839 PRESSAVG: 1284800 -9.91527 -58.4799 -55.5548 -58.4799 -0.532097 3.7783 -55.5548 3.77829 -7.87234 GPRESSAVG: 1284800 -9.18774 -56.9579 -55.5681 -55.1333 -0.45049 4.89321 -54.8808 2.23801 -8.33856 TIMING: 1284800 CPU: 3830.18, 0.00295819/step Wall: 3830.18, 0.00295819/step, 3.05285 hours remaining, 207.992188 MB of memory in use. ENERGY: 1284800 766.4921 2062.2419 1958.2234 125.5994 -206342.5629 17827.0586 0.0000 0.0000 34370.7852 -149232.1623 300.1686 -183602.9475 -149129.8040 300.1483 -106.5550 -77.0435 558402.3862 -6.1066 -5.9923 PRESSURE: 1285000 169.91 -88.8534 200.683 -88.8547 344.556 -190.888 200.682 -190.888 -185.449 GPRESSURE: 1285000 213.053 -103.069 158.816 24.9918 330.542 -178.71 226.216 -151.784 -108.45 PRESSAVG: 1285000 32.1334 -26.8672 3.30678 -26.8672 53.6559 -25.9768 3.30682 -25.9769 -41.6409 GPRESSAVG: 1285000 31.7774 -29.0725 2.14436 -29.2787 52.868 -25.5529 2.4664 -24.2716 -40.2955 TIMING: 1285000 CPU: 3830.79, 0.00300508/step Wall: 3830.79, 0.00300508/step, 3.10108 hours remaining, 207.992188 MB of memory in use. ENERGY: 1285000 735.6435 2082.0467 1949.1558 102.0412 -206183.1367 17774.7324 0.0000 0.0000 34539.1102 -149000.4070 301.6386 -183539.5172 -148909.6003 299.4694 109.6724 145.0483 557122.5618 14.7161 14.7833 PRESSURE: 1285200 -132.469 127.263 -7.49563 127.263 65.2082 -41.0804 -7.49571 -41.0806 -201.697 GPRESSURE: 1285200 -81.8924 95.6804 -35.7895 152.046 65.218 36.1325 45.6931 -19.5499 -160.609 PRESSAVG: 1285200 -36.7676 4.85618 36.0108 4.85603 0.116423 -16.2014 36.0108 -16.2015 -20.9227 GPRESSAVG: 1285200 -37.1306 5.94532 35.7445 4.14697 0.700162 -14.2185 34.5967 -18.7055 -21.7355 TIMING: 1285200 CPU: 3831.39, 0.00300248/step Wall: 3831.39, 0.00300248/step, 3.09823 hours remaining, 207.992188 MB of memory in use. ENERGY: 1285200 750.1011 2076.8545 1938.8556 112.6135 -205803.0293 17553.7907 0.0000 0.0000 34442.6843 -148928.1297 300.7965 -183370.8140 -148830.5979 300.7296 -89.6526 -59.0945 557079.6849 -19.1913 -19.3887 PRESSURE: 1285400 -7.01417 -106.814 -154.013 -106.812 -150.245 -23.9467 -154.012 -23.9465 207.612 GPRESSURE: 1285400 14.5172 -122.633 -108.17 -70.9257 -133.154 -14.1945 -116.051 -113.177 268.727 PRESSAVG: 1285400 -54.1435 26.078 -32.2245 26.078 64.9765 -1.62607 -32.2245 -1.62608 19.3536 GPRESSAVG: 1285400 -53.1381 26.0734 -31.4661 26.1422 64.2078 -6.41726 -29.5511 1.08667 18.8415 TIMING: 1285400 CPU: 3831.98, 0.00299458/step Wall: 3831.98, 0.00299458/step, 3.08991 hours remaining, 207.992188 MB of memory in use. ENERGY: 1285400 720.8196 2073.9823 1924.1750 111.1973 -206263.1419 17824.5999 0.0000 0.0000 34455.9600 -149152.4078 300.9125 -183608.3678 -149053.4670 299.5791 16.7842 50.0299 557358.2514 10.0622 9.9704 PRESSURE: 1285600 -67.8483 -20.0952 55.6057 -20.095 -148.605 15.5561 55.6044 15.5568 57.2258 GPRESSURE: 1285600 -30.2714 -17.3811 63.7631 -21.4247 -79.6668 44.0398 68.5924 -31.0592 45.0761 PRESSAVG: 1285600 49.3846 -6.60204 26.5257 -6.60206 -93.8471 -38.8857 26.5258 -38.8856 41.0725 GPRESSAVG: 1285600 47.6474 -8.72418 27.2833 -4.03646 -92.4426 -35.6717 23.0761 -41.2475 41.1939 TIMING: 1285600 CPU: 3832.58, 0.00297689/step Wall: 3832.58, 0.00297689/step, 3.07149 hours remaining, 207.992188 MB of memory in use. ENERGY: 1285600 681.8029 2092.7778 1942.0447 110.5161 -205706.9935 17449.1782 0.0000 0.0000 34381.9455 -149048.7284 300.2661 -183430.6738 -148948.0721 299.4202 -53.0760 -21.6207 557568.8773 -1.1300 -1.2004 PRESSURE: 1285800 48.7579 -145.268 -27.919 -145.268 157.394 -18.7802 -27.9186 -18.782 -44.532 GPRESSURE: 1285800 100.49 -39.6694 -48.5618 -208.742 138.763 -54.7377 -28.5864 -16.9486 21.7426 PRESSAVG: 1285800 43.2686 25.5429 -55.3327 25.5429 -45.5743 1.97894 -55.3327 1.97897 15.3666 GPRESSAVG: 1285800 44.5814 26.0958 -56.3273 24.2272 -46.918 -1.6782 -52.8145 3.76966 15.1111 TIMING: 1285800 CPU: 3833.17, 0.00295975/step Wall: 3833.17, 0.00295975/step, 3.05363 hours remaining, 207.992188 MB of memory in use. ENERGY: 1285800 732.1961 2094.2521 1940.6380 112.5787 -206125.9740 17761.6559 0.0000 0.0000 34418.7042 -149065.9491 300.5871 -183484.6533 -148968.3814 299.2499 53.8733 86.9987 557025.2908 4.3536 4.2581 PRESSURE: 1286000 -57.0477 -76.55 86.0272 -76.5503 210.549 -173.598 86.0265 -173.599 68.785 GPRESSURE: 1286000 -27.4804 -90.7287 99.4478 -126.139 239.726 -136.947 106.652 -168.471 113.266 PRESSAVG: 1286000 -51.3262 -54.3775 9.46064 -54.3774 25.828 7.4605 9.46063 7.46045 65.5936 GPRESSAVG: 1286000 -52.2787 -51.1754 11.2574 -57.7114 26.8775 10.7267 7.72908 6.92838 65.2535 TIMING: 1286000 CPU: 3833.77, 0.00296478/step Wall: 3833.77, 0.00296478/step, 3.05866 hours remaining, 207.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1286000 729.2131 2002.8297 1972.8658 108.4389 -205833.5842 17734.5643 0.0000 0.0000 34202.0424 -149083.6299 298.6949 -183285.6723 -148988.6410 299.6328 74.0953 108.5037 557278.0352 13.3651 13.2841 PRESSURE: 1286200 -157.689 3.36939 27.3435 3.36882 -21.2756 25.5323 27.3432 25.5316 106.75 GPRESSURE: 1286200 -149.843 54.145 0.892007 -21.0755 -1.01728 97.3626 65.6931 -12.6239 173.565 PRESSAVG: 1286200 0.404239 -22.2532 -4.47299 -22.2532 14.2987 -13.5332 -4.47296 -13.5333 -22.353 GPRESSAVG: 1286200 0.474637 -26.1199 -6.99804 -18.7262 13.0724 -13.1036 -2.09855 -14.0033 -21.591 TIMING: 1286200 CPU: 3834.36, 0.00297129/step Wall: 3834.36, 0.00297129/step, 3.06521 hours remaining, 207.992188 MB of memory in use. ENERGY: 1286200 750.9658 2039.9624 1947.0040 109.9029 -206076.9716 17719.0170 0.0000 0.0000 34315.4499 -149194.6696 299.6854 -183510.1195 -149091.1174 299.7879 -24.0715 7.5684 557582.2689 -2.5500 -2.6813 PRESSURE: 1286400 -99.1326 -176.065 41.0492 -176.066 -83.0454 165.36 41.0491 165.36 73.235 GPRESSURE: 1286400 -44.8186 -201.595 67.2213 -172.915 -64.4887 171.061 4.09394 160.902 101.166 PRESSAVG: 1286400 -9.23905 -55.4286 37.1395 -55.4285 37.7749 -27.3782 37.1396 -27.3782 -31.9018 GPRESSAVG: 1286400 -9.09837 -53.541 39.078 -55.5065 37.7398 -28.4344 34.7388 -25.9039 -31.425 TIMING: 1286400 CPU: 3834.96, 0.00300004/step Wall: 3834.96, 0.00300004/step, 3.09471 hours remaining, 207.992188 MB of memory in use. ENERGY: 1286400 756.8207 2047.3807 1926.7281 105.4216 -206087.3914 17610.3045 0.0000 0.0000 34436.1239 -149204.6119 300.7392 -183640.7358 -149106.9252 299.6529 -36.3143 -2.7136 556321.7158 -1.1220 -0.9279 PRESSURE: 1286600 -61.3371 -14.0075 5.26194 -14.0071 109.773 75.0454 5.26316 75.0451 29.1872 GPRESSURE: 1286600 5.97858 -57.7659 9.59634 50.8006 82.8439 96.3927 84.2109 108.617 84.4223 PRESSAVG: 1286600 35.8276 -8.59811 -27.3408 -8.59807 24.6883 5.65949 -27.3408 5.65943 -28.2828 GPRESSAVG: 1286600 37.2857 -7.28729 -28.127 -9.46704 23.9696 4.76828 -28.3554 4.78396 -29.276 TIMING: 1286600 CPU: 3835.55, 0.00297191/step Wall: 3835.55, 0.00297191/step, 3.06553 hours remaining, 207.992188 MB of memory in use. ENERGY: 1286600 733.9099 2090.7975 1937.1300 102.4451 -205946.7408 17743.6431 0.0000 0.0000 34259.7509 -149079.0643 299.1989 -183338.8152 -148983.7962 300.3527 25.8744 57.7483 556744.8681 10.7444 10.6597 PRESSURE: 1286800 191.542 -123.352 -248.748 -123.352 113.27 107.787 -248.748 107.785 -99.4434 GPRESSURE: 1286800 234.038 -156.449 -192.086 -185.707 123.02 166.097 -186.97 70.2833 -57.6038 PRESSAVG: 1286800 30.1857 -14.9788 -32.8564 -14.9789 -26.0597 45.6795 -32.8564 45.6794 7.12281 GPRESSAVG: 1286800 29.4452 -16.7252 -32.8388 -13.5564 -26.5627 47.5171 -30.5268 45.2015 7.7924 TIMING: 1286800 CPU: 3836.14, 0.00294901/step Wall: 3836.14, 0.00294901/step, 3.04174 hours remaining, 207.992188 MB of memory in use. ENERGY: 1286800 756.4217 2097.2963 1930.9862 123.3317 -206366.3532 17920.2688 0.0000 0.0000 34521.4081 -149016.6405 301.4840 -183538.0485 -148916.9724 300.0068 68.4560 99.8182 558361.1152 3.7496 3.5583 PRESSURE: 1287000 -79.1556 -199.798 254.605 -199.797 -29.9073 -108.77 254.606 -108.769 -86.3587 GPRESSURE: 1287000 -12.923 -164.43 293.259 -135.387 -8.28696 -32.2015 228.476 -59.9883 -70.9307 PRESSAVG: 1287000 34.6358 -31.1221 -0.695662 -31.1222 -40.2256 37.6269 -0.695732 37.627 13.5881 GPRESSAVG: 1287000 34.7567 -31.2108 -0.0603584 -31.4902 -38.157 35.4694 -1.49512 39.4998 10.8612 TIMING: 1287000 CPU: 3836.74, 0.00296462/step Wall: 3836.74, 0.00296462/step, 3.05767 hours remaining, 207.992188 MB of memory in use. ENERGY: 1287000 751.4657 2053.0487 1947.4309 124.6402 -206021.6256 17807.4075 0.0000 0.0000 34360.3516 -148977.2811 300.0775 -183337.6327 -148881.3667 300.2418 -65.1405 -30.7135 557794.6663 2.6661 2.4870 PRESSURE: 1287200 93.026 -172.419 101.08 -172.419 84.2001 -118.548 101.08 -118.548 240.551 GPRESSURE: 1287200 130.041 -135.783 64.9877 -206.818 135.35 -62.6494 138.492 -103.601 265.569 PRESSAVG: 1287200 -29.0867 -53.6961 -10.0977 -53.6961 -41.1194 -26.838 -10.0978 -26.838 37.0014 GPRESSAVG: 1287200 -29.8769 -53.0258 -10.2093 -55.1945 -42.1963 -26.8843 -11.1093 -26.3143 38.9078 TIMING: 1287200 CPU: 3837.33, 0.00297493/step Wall: 3837.33, 0.00297493/step, 3.06815 hours remaining, 207.992188 MB of memory in use. ENERGY: 1287200 751.2958 2120.2515 1941.4229 122.9166 -206266.6734 17888.6891 0.0000 0.0000 34284.1847 -149157.9128 299.4123 -183442.0975 -149064.9598 299.7318 139.2590 176.9869 555911.3507 -11.0682 -11.0551 PRESSURE: 1287400 -342.464 22.2599 -138.665 22.2607 -234.745 -30.0035 -138.665 -30.0038 -267.516 GPRESSURE: 1287400 -306.708 75.167 -162.659 -79.6781 -185.852 -28.6036 -171.514 -19.2769 -258.432 PRESSAVG: 1287400 30.4118 26.713 -0.484296 26.713 2.58648 -15.3958 -0.484252 -15.3958 6.60692 GPRESSAVG: 1287400 29.6721 24.5052 -2.95607 28.6387 3.29019 -14.2357 3.10905 -15.4456 5.99311 TIMING: 1287400 CPU: 3837.93, 0.00298498/step Wall: 3837.93, 0.00298498/step, 3.07834 hours remaining, 207.992188 MB of memory in use. ENERGY: 1287400 750.8456 2096.4907 1956.7037 106.8969 -205737.0466 17432.3483 0.0000 0.0000 34153.3454 -149240.4160 298.2697 -183393.7614 -149151.8205 300.1670 -281.5750 -250.3308 558714.1055 13.2017 12.9851 PRESSURE: 1287600 -37.3722 -70.1981 -174.928 -70.1988 -23.6092 94.9379 -174.929 94.9394 210.431 GPRESSURE: 1287600 -27.3954 -80.3555 -162.08 -23.0407 11.918 129.969 -266.699 66.9947 268.05 PRESSAVG: 1287600 7.17537 -29.5045 -12.8844 -29.5046 21.2031 -51.7981 -12.8844 -51.7981 25.9442 GPRESSAVG: 1287600 7.71502 -27.4962 -10.8717 -31.2894 20.7896 -52.5055 -14.2218 -51.5797 25.9231 TIMING: 1287600 CPU: 3838.53, 0.00300713/step Wall: 3838.53, 0.00300713/step, 3.10102 hours remaining, 207.992188 MB of memory in use. ENERGY: 1287600 735.8865 2068.1144 1936.2529 105.4488 -206109.4723 17802.9264 0.0000 0.0000 34190.7186 -149270.1248 298.5960 -183460.8434 -149167.7737 299.0811 49.8165 84.1909 557376.7945 18.1076 18.1426 PRESSURE: 1287800 -36.889 36.2741 172.116 36.2739 70.2323 7.50838 172.116 7.5067 128.801 GPRESSURE: 1287800 38.3573 10.771 193.948 51.1368 100.085 5.02085 141.664 16.286 115.574 PRESSAVG: 1287800 -84.4108 -28.0625 65.9762 -28.0626 3.59024 -37.3775 65.9761 -37.3776 16.9774 GPRESSAVG: 1287800 -83.7013 -29.215 65.9441 -26.8127 3.15662 -37.4965 64.6432 -38.3248 16.6295 TIMING: 1287800 CPU: 3839.12, 0.00296835/step Wall: 3839.12, 0.00296835/step, 3.06086 hours remaining, 207.992188 MB of memory in use. ENERGY: 1287800 772.5591 2051.7343 1925.2949 105.8840 -206493.1680 18085.6952 0.0000 0.0000 34316.4312 -149235.5695 299.6939 -183552.0007 -149134.8730 299.1544 54.0482 84.6720 557992.9700 -21.2810 -21.3051 PRESSURE: 1288000 -61.4606 39.397 -94.5881 39.3962 331.719 -104.81 -94.5895 -104.81 -73.5931 GPRESSURE: 1288000 -34.6606 167.328 4.77805 70.5187 293.063 -124.901 -184.412 -120.016 33.2055 PRESSAVG: 1288000 -42.2643 23.116 -26.1547 23.116 83.0511 5.07708 -26.1545 5.07716 15.0811 GPRESSAVG: 1288000 -43.366 24.9325 -26.8821 22.883 82.1299 5.52017 -28.0092 3.4294 16.7361 TIMING: 1288000 CPU: 3839.71, 0.0029463/step Wall: 3839.71, 0.0029463/step, 3.03796 hours remaining, 207.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1288000 737.5602 2040.6875 1917.6358 121.0174 -206105.9924 17989.7496 0.0000 0.0000 34185.2966 -149114.0453 298.5487 -183299.3419 -149016.9543 299.5471 65.5553 97.2027 558033.1293 18.6226 18.5000 PRESSURE: 1288200 -21.9412 142.126 71.2088 142.124 -318.704 -67.2128 71.2102 -67.2117 -148.254 GPRESSURE: 1288200 97.7539 141.59 64.2519 57.6891 -331.356 -85.6721 33.5962 4.3892 -159.057 PRESSAVG: 1288200 -46.6526 27.5872 1.5325 27.5872 0.489323 -23.0293 1.53244 -23.0292 28.4766 GPRESSAVG: 1288200 -45.0294 25.7366 0.967351 27.2244 0.214963 -21.7334 3.17025 -23.1265 27.3135 TIMING: 1288200 CPU: 3840.31, 0.00297172/step Wall: 3840.31, 0.00297172/step, 3.06401 hours remaining, 207.992188 MB of memory in use. ENERGY: 1288200 717.5032 2035.7659 1912.1438 112.3666 -205517.1938 17310.7268 0.0000 0.0000 34383.7588 -149044.9288 300.2819 -183428.6876 -148944.0873 299.4606 -162.9665 -130.8866 558003.1703 -5.8955 -5.8337 LDB: ============= START OF LOAD BALANCING ============== 3843.86 LDB: ============== END OF LOAD BALANCING =============== 3843.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3843.86 LDB: ============= START OF LOAD BALANCING ============== 3844.16 LDB: Largest compute 4796 load 0.028939 is 24.5% of average load 0.118218 LDB: Average compute 0.001720 is 1.5% of average load 0.118218 LDB: TIME 3844.16 LOAD: AVG 0.118218 MAX 0.209829 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 3844.16 LOAD: AVG 0.118218 MAX 0.209829 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206 MB LDB: TIME 3844.16 LOAD: AVG 0.118218 MAX 0.209829 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3844.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3844.17 PRESSURE: 1288400 -264.719 -39.6878 154.78 -39.6871 -268.286 -164.242 154.779 -164.241 -81.7029 GPRESSURE: 1288400 -276.794 -81.9707 185.804 -52.93 -175.108 -161.245 117.952 -139.44 -71.443 PRESSAVG: 1288400 9.8956 -25.1591 35.5071 -25.1591 -7.17308 -54.5233 35.507 -54.5233 5.7244 GPRESSAVG: 1288400 9.48811 -25.9165 35.115 -24.8373 -7.03235 -56.363 34.8206 -52.7713 6.649 TIMING: 1288400 CPU: 3840.92, 0.00304364/step Wall: 3840.92, 0.00304364/step, 3.13799 hours remaining, 206.000000 MB of memory in use. ENERGY: 1288400 736.5273 2116.7406 1903.5432 129.2650 -206005.6624 17566.6793 0.0000 0.0000 34231.8994 -149321.0078 298.9557 -183552.9071 -149230.5555 299.1668 -204.9029 -174.4484 558573.6169 2.8156 3.0349 PRESSURE: 1288600 -110.181 36.6957 -95.2063 36.6966 -41.2198 -47.7828 -95.2073 -47.7819 -171.971 GPRESSURE: 1288600 -100.486 38.8083 -20.8009 -23.4396 -20.55 -57.7654 -38.7049 -11.3749 -91.8077 PRESSAVG: 1288600 -21.736 58.5502 60.4549 58.5503 13.0455 8.87313 60.4549 8.87308 6.35748 GPRESSAVG: 1288600 -21.5871 60.9544 60.9439 58.5643 13.9653 9.22086 62.6199 8.373 5.34932 TIMING: 1288600 CPU: 3841.51, 0.00297966/step Wall: 3841.51, 0.00297966/step, 3.07186 hours remaining, 206.000000 MB of memory in use. ENERGY: 1288600 739.6048 2067.1643 1933.1140 120.2231 -205817.3167 17585.6543 0.0000 0.0000 34170.1571 -149201.3991 298.4165 -183371.5561 -149092.5259 299.1513 -107.7907 -70.9480 558980.4319 -0.7777 -0.7575 PRESSURE: 1288800 -153.536 -111.897 -64.3182 -111.898 80.4142 -106.441 -64.3186 -106.441 -216.228 GPRESSURE: 1288800 -174.598 1.17494 -48.1736 -152.412 142.633 -111.941 -11.9804 -123.854 -156.789 PRESSAVG: 1288800 -42.5425 23.2949 -38.8974 23.2949 30.5002 -5.25168 -38.8974 -5.25171 21.8507 GPRESSAVG: 1288800 -43.6929 22.3163 -38.4289 23.054 29.9869 -7.53333 -40.2602 -5.86183 23.2756 TIMING: 1288800 CPU: 3842.11, 0.00298184/step Wall: 3842.11, 0.00298184/step, 3.07394 hours remaining, 206.000000 MB of memory in use. ENERGY: 1288800 709.0476 2151.0432 1934.2773 106.3377 -206021.3476 17716.0110 0.0000 0.0000 34208.3495 -149196.2812 298.7500 -183404.6307 -149098.9293 299.3057 -96.4498 -62.9177 557766.0682 3.2694 3.1898 PRESSURE: 1289000 127.125 -3.15348 -34.3445 -3.15418 13.3551 20.6066 -34.3429 20.6057 297.082 GPRESSURE: 1289000 138.825 47.9404 -51.8386 -70.5501 42.3838 -1.15434 -67.5557 25.8041 344.682 PRESSAVG: 1289000 42.3355 -33.3495 -4.85332 -33.3495 -5.7491 -19.0258 -4.85322 -19.0258 -54.0133 GPRESSAVG: 1289000 43.9094 -32.587 -4.46479 -33.3363 -4.68382 -15.0136 -4.44592 -20.0773 -56.2447 TIMING: 1289000 CPU: 3842.7, 0.00295496/step Wall: 3842.7, 0.00295496/step, 3.04607 hours remaining, 206.000000 MB of memory in use. ENERGY: 1289000 713.0792 2066.3664 1933.0931 117.8063 -206109.3308 17920.5779 0.0000 0.0000 34283.3515 -149075.0564 299.4050 -183358.4079 -148982.7351 299.8528 145.8542 175.2969 556072.4338 -5.8090 -5.6730 PRESSURE: 1289200 129.14 11.4896 -185.822 11.4903 -62.2483 161.87 -185.822 161.87 -133.835 GPRESSURE: 1289200 178.159 -102.007 -176.337 67.6765 -78.2977 191.96 -231.716 189.156 -57.7311 PRESSAVG: 1289200 -16.2473 -34.9816 -10.125 -34.9816 4.73383 -7.47976 -10.125 -7.4799 70.7394 GPRESSAVG: 1289200 -16.9602 -35.8149 -11.4599 -34.565 4.65132 -9.77389 -10.541 -5.06896 72.4328 TIMING: 1289200 CPU: 3843.29, 0.00295764/step Wall: 3843.29, 0.00295764/step, 3.04867 hours remaining, 206.000000 MB of memory in use. ENERGY: 1289200 744.6239 2089.8984 1921.3550 123.8134 -206046.8747 17733.3318 0.0000 0.0000 34139.9907 -149293.8615 298.1530 -183433.8522 -149200.1401 299.7450 -22.3145 14.0433 556627.7523 19.7420 20.0413 PRESSURE: 1289400 -135.693 191.579 -214.379 191.58 150.463 -127.015 -214.379 -127.015 50.7027 GPRESSURE: 1289400 -79.0077 208.843 -225.633 180.286 113.266 -75.7124 -218.571 -168.046 119.92 PRESSAVG: 1289400 30.491 20.2345 8.29358 20.2346 36.4786 -16.9046 8.29352 -16.9045 -29.3185 GPRESSAVG: 1289400 29.9505 19.422 9.56239 20.2913 36.8509 -16.283 8.34341 -18.6836 -29.1182 TIMING: 1289400 CPU: 3843.88, 0.0029618/step Wall: 3843.88, 0.0029618/step, 3.05279 hours remaining, 206.000000 MB of memory in use. ENERGY: 1289400 706.3958 2058.4258 1920.5891 106.0197 -206216.0076 17807.5258 0.0000 0.0000 34325.4801 -149291.5711 299.7730 -183617.0512 -149189.2165 298.1993 21.8240 51.3927 556770.1956 12.5504 12.5611 PRESSURE: 1289600 -32.6368 6.01513 17.3253 6.01518 144.819 -58.812 17.3239 -58.8131 71.9942 GPRESSURE: 1289600 9.24314 -103.899 -81.6707 12.1387 151.454 -95.5113 43.7629 48.0202 108.014 PRESSAVG: 1289600 -47.3639 29.1766 -40.989 29.1766 -25.1708 26.2905 -40.9888 26.2905 46.1337 GPRESSAVG: 1289600 -46.459 28.1816 -42.6258 28.0962 -24.7186 25.3884 -40.267 27.7427 45.306 TIMING: 1289600 CPU: 3844.47, 0.00295996/step Wall: 3844.47, 0.00295996/step, 3.05073 hours remaining, 206.000000 MB of memory in use. ENERGY: 1289600 749.4037 2074.3656 1943.3206 113.9500 -206383.0738 17931.9472 0.0000 0.0000 34060.8774 -149509.2092 297.4621 -183570.0866 -149423.6238 298.1376 61.3922 89.5706 557289.7026 -8.8003 -8.6239 PRESSURE: 1289800 -284.321 -27.098 -239.851 -27.0982 -285.633 68.5734 -239.851 68.5718 68.5622 GPRESSURE: 1289800 -249.868 22.9185 -225.733 -10.2217 -289.052 17.6507 -165.379 113.685 129.534 PRESSAVG: 1289800 16.3478 -17.1705 -48.1609 -17.1705 18.3237 15.4453 -48.1608 15.4453 -29.5465 GPRESSAVG: 1289800 17.1709 -14.7769 -47.0291 -19.5343 17.4514 14.9307 -49.7249 15.0057 -29.4299 TIMING: 1289800 CPU: 3845.07, 0.00298686/step Wall: 3845.07, 0.00298686/step, 3.07829 hours remaining, 206.000000 MB of memory in use. ENERGY: 1289800 759.4346 2093.6493 1931.4625 115.5902 -206063.1639 17705.2114 0.0000 0.0000 34029.5348 -149428.2811 297.1884 -183457.8159 -149330.8841 299.0217 -167.1309 -136.4620 559298.5465 1.7083 1.7308 PRESSURE: 1290000 -86.538 -113.569 -8.74823 -113.568 20.1968 -35.5558 -8.74856 -35.5557 47.9032 GPRESSURE: 1290000 -81.8136 -140.146 66.6286 -89.6153 32.1845 -64.6815 -52.3543 81.4748 137.827 PRESSAVG: 1290000 -58.4638 -55.8694 30.1067 -55.8695 27.6559 6.41381 30.1066 6.41373 56.7432 GPRESSAVG: 1290000 -58.72 -55.1282 31.1818 -54.6466 27.8241 7.44296 33.0141 7.07848 56.4716 TIMING: 1290000 CPU: 3845.68, 0.00303601/step Wall: 3845.68, 0.00303601/step, 3.12877 hours remaining, 206.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1290000 697.4346 2115.1152 1936.8716 106.5523 -206649.9381 17877.9751 0.0000 0.0000 34420.9398 -149495.0495 300.6066 -183915.9893 -149396.6444 299.1176 -6.1460 29.3992 557598.6713 8.6451 8.5252 PRESSURE: 1290200 -36.4319 26.5905 -72.3449 26.5893 -71.8343 -161.67 -72.3462 -161.671 141.912 GPRESSURE: 1290200 23.5005 101.412 -9.87759 28.4293 -29.1863 -115.176 -97.9257 -137.563 132.96 PRESSAVG: 1290200 -45.7388 -1.91753 -2.98289 -1.91755 31.5351 -25.47 -2.9829 -25.47 64.1694 GPRESSAVG: 1290200 -46.0008 -3.88311 -3.86136 -0.179678 30.9909 -22.1889 -5.75049 -26.6314 63.9954 TIMING: 1290200 CPU: 3846.28, 0.00300291/step Wall: 3846.28, 0.00300291/step, 3.09449 hours remaining, 206.000000 MB of memory in use. ENERGY: 1290200 728.2423 2096.6440 1953.8909 107.5177 -206504.7488 17902.6843 0.0000 0.0000 34074.3531 -149641.4165 297.5798 -183715.7696 -149544.8400 298.7230 11.2154 42.4247 555469.1430 16.6552 16.3285 PRESSURE: 1290400 -125.474 -114.193 -103.44 -114.193 126.24 -176.661 -103.439 -176.66 -200.795 GPRESSURE: 1290400 -85.7134 -147.376 -27.3413 -51.2234 107.022 -173.945 -178.532 -222.145 -120.695 PRESSAVG: 1290400 -5.59306 24.058 -27.6427 24.0581 17.9949 -8.04894 -27.6427 -8.04888 -49.5881 GPRESSAVG: 1290400 -6.90254 25.1515 -27.945 24.4821 18.4553 -10.716 -26.3239 -6.62058 -48.7501 TIMING: 1290400 CPU: 3846.88, 0.00298161/step Wall: 3846.88, 0.00298161/step, 3.07239 hours remaining, 206.000000 MB of memory in use. ENERGY: 1290400 757.8231 2074.5222 1942.0765 104.2592 -206212.8184 17738.0505 0.0000 0.0000 34150.0428 -149446.0442 298.2408 -183596.0870 -149358.7128 298.3583 -66.6764 -33.1289 557197.4565 -12.3954 -12.3991 PRESSURE: 1290600 -318.978 -101.436 46.5621 -101.436 -231.763 28.2234 46.5653 28.2221 -267.553 GPRESSURE: 1290600 -304.615 -17.9064 -45.5604 -114.165 -160.23 -79.3681 61.4097 68.5991 -246.313 PRESSAVG: 1290600 -10.8513 -58.2239 -25.0318 -58.2239 -16.6509 -28.311 -25.0318 -28.311 42.1293 GPRESSAVG: 1290600 -9.18774 -57.7653 -24.6467 -60.0275 -17.1661 -28.7978 -26.9957 -28.9768 40.9875 TIMING: 1290600 CPU: 3847.47, 0.00299112/step Wall: 3847.47, 0.00299113/step, 3.08202 hours remaining, 206.000000 MB of memory in use. ENERGY: 1290600 729.0815 2056.9422 1910.4221 103.0950 -206000.1995 17517.0133 0.0000 0.0000 34226.5395 -149457.1058 298.9089 -183683.6454 -149363.2138 299.4405 -272.7646 -237.0526 558612.5621 4.8757 4.8779 PRESSURE: 1290800 -254.755 -260.451 -49.6445 -260.451 79.0734 -169.652 -49.6452 -169.651 -192.838 GPRESSURE: 1290800 -179.892 -234.914 -27.9408 -262.544 99.2274 -217.438 -35.6884 -131.058 -190.434 PRESSAVG: 1290800 -4.03536 29.1075 51.0096 29.1074 -39.7256 -54.5863 51.0096 -54.5863 16.805 GPRESSAVG: 1290800 -4.37157 27.3276 49.6144 29.8182 -39.8178 -53.7353 52.0504 -55.8976 16.7277 TIMING: 1290800 CPU: 3848.07, 0.00296904/step Wall: 3848.07, 0.00296904/step, 3.0591 hours remaining, 206.000000 MB of memory in use. ENERGY: 1290800 731.8332 2083.6289 1926.6149 117.8171 -206168.6638 17693.3509 0.0000 0.0000 34281.3305 -149334.0884 299.3874 -183615.4189 -149231.7814 299.2407 -122.8398 -90.3663 557836.0803 -8.9853 -9.1539 PRESSURE: 1291000 -140.095 35.5798 -38.3426 35.5805 82.0429 76.7196 -38.3424 76.7201 96.1716 GPRESSURE: 1291000 -103.187 -2.88278 -32.5761 31.364 137.521 196.966 -34.2703 14.5054 98.8751 PRESSAVG: 1291000 -7.41108 -28.8911 9.42112 -28.8911 24.3516 -33.956 9.42105 -33.9559 -2.83458 GPRESSAVG: 1291000 -8.24976 -27.6277 10.0359 -30.8 25.0495 -33.5667 11.6738 -33.3968 -2.14986 TIMING: 1291000 CPU: 3848.67, 0.00300762/step Wall: 3848.67, 0.00300762/step, 3.09869 hours remaining, 206.000000 MB of memory in use. ENERGY: 1291000 775.6449 2044.9274 1903.2877 112.8135 -206324.7018 17802.0004 0.0000 0.0000 34304.4250 -149381.6029 299.5891 -183686.0279 -149282.9473 299.5255 12.7064 44.4032 556583.3078 4.7020 4.8833 PRESSURE: 1291200 -168.371 -57.5063 6.14467 -57.5047 69.496 12.4064 6.14561 12.4072 -100.721 GPRESSURE: 1291200 -147.606 -43.1392 -83.8822 -90.9284 79.927 61.1585 -39.8119 -19.1469 -47.0599 PRESSAVG: 1291200 64.7818 13.7846 -34.0458 13.7845 -86.3447 25.116 -34.0457 25.116 -9.66326 GPRESSAVG: 1291200 64.8527 12.7482 -34.2673 16.2099 -86.0623 25.1224 -36.2089 25.265 -9.70526 TIMING: 1291200 CPU: 3849.27, 0.00297506/step Wall: 3849.27, 0.00297506/step, 3.06497 hours remaining, 206.000000 MB of memory in use. ENERGY: 1291200 732.0018 2007.4638 1933.3439 109.3869 -206374.7608 17782.5121 0.0000 0.0000 34278.3579 -149531.6943 299.3614 -183810.0523 -149435.7702 298.5511 -66.5321 -38.2464 557348.9194 -10.4087 -10.3050 PRESSURE: 1291400 215.152 -40.2482 126.484 -40.2485 33.4509 -15.3529 126.483 -15.3528 163.126 GPRESSURE: 1291400 251.712 -27.9033 129.728 -44.0363 46.989 -19.8779 50.1857 67.8471 214.921 PRESSAVG: 1291400 3.30195 -33.9489 -34.3073 -33.9488 -47.6808 -19.455 -34.3073 -19.455 66.3776 GPRESSAVG: 1291400 3.48338 -31.3304 -36.1215 -35.5577 -47.3618 -20.3687 -33.5961 -19.1271 65.2816 TIMING: 1291400 CPU: 3849.86, 0.0029569/step Wall: 3849.86, 0.0029569/step, 3.0461 hours remaining, 206.000000 MB of memory in use. ENERGY: 1291400 712.8694 2063.2304 1914.1339 109.2813 -206350.6537 17926.2157 0.0000 0.0000 34223.7509 -149401.1723 298.8845 -183624.9232 -149302.7578 299.0729 137.2428 171.2073 557072.8455 7.3329 7.1344 PRESSURE: 1291600 138.876 117.372 109.492 117.373 99.3033 -198.108 109.491 -198.11 -242.133 GPRESSURE: 1291600 129.511 138.983 161.92 36.256 119.061 -115.156 48.3652 -236.942 -153.97 PRESSAVG: 1291600 -62.2875 -9.32256 -46.9899 -9.32255 34.1803 -39.6881 -46.9899 -39.6882 -4.37519 GPRESSAVG: 1291600 -62.9801 -11.2307 -45.2139 -8.23856 33.9865 -36.9451 -45.8435 -40.0938 -3.77172 TIMING: 1291600 CPU: 3850.46, 0.00300654/step Wall: 3850.46, 0.00300654/step, 3.09707 hours remaining, 206.000000 MB of memory in use. ENERGY: 1291600 749.3973 2089.0624 1916.2733 109.1751 -206436.8675 17891.3901 0.0000 0.0000 34246.3506 -149435.2186 299.0819 -183681.5692 -149336.7317 299.0252 -1.3178 31.5338 556874.7853 -10.8274 -10.9218 PRESSURE: 1291800 -281.709 18.1275 124.692 18.1272 78.9546 -137.367 124.69 -137.369 85.0213 GPRESSURE: 1291800 -278.752 23.7288 163.623 143.703 139.692 -174.292 57.3722 -78.3743 120.596 PRESSAVG: 1291800 50.938 18.4142 -6.52688 18.4142 -16.5359 -33.8746 -6.52694 -33.8745 22.4512 GPRESSAVG: 1291800 52.1441 18.3596 -4.9377 18.8939 -17.363 -39.7132 -8.61742 -31.3918 22.3126 TIMING: 1291800 CPU: 3851.05, 0.00298566/step Wall: 3851.05, 0.00298566/step, 3.0754 hours remaining, 206.000000 MB of memory in use. ENERGY: 1291800 731.2457 2115.8876 1958.5252 116.5596 -206489.0230 17857.9670 0.0000 0.0000 34303.0156 -149405.8223 299.5768 -183708.8379 -149312.1295 299.3864 -39.2444 -6.1544 557780.4438 18.9511 19.0312 PRESSURE: 1292000 104.83 61.7543 73.3911 61.7535 147.575 -67.4345 73.3917 -67.4348 -162.862 GPRESSURE: 1292000 101.496 126.399 167.592 -6.48329 157.821 -60.8909 59.1423 -116.405 -63.9183 PRESSAVG: 1292000 4.14758 16.0911 17.1413 16.0911 -8.90566 -33.573 17.1413 -33.5731 -12.5923 GPRESSAVG: 1292000 3.73989 16.6293 16.5817 15.6505 -9.08456 -29.6886 17.7276 -36.6194 -11.9193 TIMING: 1292000 CPU: 3851.65, 0.00298482/step Wall: 3851.65, 0.00298482/step, 3.07436 hours remaining, 206.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1292000 709.4395 2133.6688 1948.2132 120.9681 -206471.6558 17881.3845 0.0000 0.0000 34323.6947 -149354.2869 299.7574 -183677.9817 -149259.2690 298.9870 29.8474 65.1329 557491.2073 -5.7835 -5.7547 PRESSURE: 1292200 -334.427 83.0681 -18.1748 83.0696 -374.884 161.327 -18.1731 161.327 -122.95 GPRESSURE: 1292200 -355.635 50.4209 -32.1687 48.4925 -323.028 188.595 4.80672 158.861 -54.3874 PRESSAVG: 1292200 19.5917 -64.5021 3.18968 -64.5021 10.4445 -39.8926 3.18959 -39.8925 -50.0491 GPRESSAVG: 1292200 19.0606 -64.4854 2.17759 -63.434 11.9743 -39.0496 4.20329 -39.8697 -50.6508 TIMING: 1292200 CPU: 3852.25, 0.00299612/step Wall: 3852.25, 0.00299612/step, 3.08584 hours remaining, 206.000000 MB of memory in use. ENERGY: 1292200 761.8814 2094.2255 1923.5595 103.0656 -205807.9147 17437.8223 0.0000 0.0000 34216.5532 -149270.8072 298.8217 -183487.3604 -149177.4557 299.4002 -277.4204 -244.3501 558782.1376 -6.6710 -6.5386 LDB: ============= START OF LOAD BALANCING ============== 3855.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3855.8 LDB: =============== DONE WITH MIGRATION ================ 3855.8 LDB: ============= START OF LOAD BALANCING ============== 3856.1 LDB: Largest compute 4796 load 0.029646 is 25.1% of average load 0.118111 LDB: Average compute 0.001724 is 1.5% of average load 0.118111 LDB: TIME 3856.11 LOAD: AVG 0.118111 MAX 0.210717 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.305 MB LDB: TIME 3856.11 LOAD: AVG 0.118111 MAX 0.210717 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.508 MB LDB: TIME 3856.11 LOAD: AVG 0.118111 MAX 0.210717 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.508 MB LDB: ============== END OF LOAD BALANCING =============== 3856.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3856.11 PRESSURE: 1292400 -24.3497 -42.2118 -252.241 -42.2117 -213.209 118.95 -252.242 118.95 48.7424 GPRESSURE: 1292400 -7.82117 -53.0044 -121.069 -80.1347 -192.011 96.2702 -202.55 193.718 108.733 PRESSAVG: 1292400 -51.9698 -5.75573 -61.6252 -5.7558 -7.13403 -38.1265 -61.6251 -38.1265 58.2588 GPRESSAVG: 1292400 -51.2581 -7.93774 -60.6871 -6.40119 -7.43734 -38.303 -62.772 -34.9779 58.0837 TIMING: 1292400 CPU: 3852.86, 0.00306228/step Wall: 3852.86, 0.00306228/step, 3.15381 hours remaining, 207.023438 MB of memory in use. ENERGY: 1292400 791.3646 2101.1895 1924.2008 111.9264 -206862.3977 18207.4443 0.0000 0.0000 34387.3577 -149338.9145 300.3133 -183726.2722 -149247.0623 298.8528 -62.9388 -30.3665 558174.4275 -0.2817 -0.2039 PRESSURE: 1292600 147.962 -97.7404 116.201 -97.7401 51.5126 187.106 116.201 187.105 22.7466 GPRESSURE: 1292600 158.867 -90.2059 3.77035 -47.9519 100.641 72.0028 145.12 187.911 58.2136 PRESSAVG: 1292600 -20.2834 10.8262 -16.7214 10.8262 24.288 -20.2912 -16.7214 -20.2912 -27.6219 GPRESSAVG: 1292600 -21.3316 12.9223 -17.9272 10.2771 23.5189 -22.7536 -16.5084 -22.7949 -26.3967 TIMING: 1292600 CPU: 3853.46, 0.00300453/step Wall: 3853.46, 0.00300453/step, 3.09417 hours remaining, 207.226562 MB of memory in use. ENERGY: 1292600 753.4409 2073.2519 1931.6184 121.5320 -206578.9366 18105.9392 0.0000 0.0000 34226.2638 -149366.8904 298.9065 -183593.1542 -149277.6419 298.8155 74.0738 105.9070 557419.8019 -7.8724 -8.0698 PRESSURE: 1292800 -209.025 -21.955 93.9905 -21.9563 -64.2333 -157.182 93.9908 -157.18 -101.399 GPRESSURE: 1292800 -237.366 -47.8728 119.7 47.3501 13.9921 -156.62 106.705 -223.497 -66.5694 PRESSAVG: 1292800 56.5422 5.74411 32.0331 5.74409 43.7987 21.7765 32.033 21.7766 -82.933 GPRESSAVG: 1292800 56.3794 4.54949 33.8534 5.96624 44.5755 23.2588 32.1416 21.9698 -84.3556 TIMING: 1292800 CPU: 3854.06, 0.00298234/step Wall: 3854.06, 0.00298234/step, 3.07115 hours remaining, 207.226562 MB of memory in use. ENERGY: 1292800 739.6467 2085.5280 1916.7657 120.3991 -206305.7747 17725.4675 0.0000 0.0000 34245.5118 -149472.4559 299.0746 -183717.9677 -149368.5489 299.0524 -124.8858 -96.6476 557384.1878 5.8027 5.5331 PRESSURE: 1293000 70.5966 -42.3646 0.209748 -42.3646 -116.084 66.3745 0.211007 66.3768 -182.739 GPRESSURE: 1293000 115.968 -22.7109 -75.3196 41.4805 -76.2846 54.8678 -19.17 3.03729 -174.629 PRESSAVG: 1293000 27.6581 -40.0646 -0.75542 -40.0646 10.2949 19.9729 -0.755378 19.9728 -48.6642 GPRESSAVG: 1293000 29.1734 -39.5918 -1.81222 -41.121 9.13932 22.8684 -0.170241 19.5091 -48.941 TIMING: 1293000 CPU: 3854.65, 0.00295538/step Wall: 3854.65, 0.00295538/step, 3.04322 hours remaining, 207.226562 MB of memory in use. ENERGY: 1293000 763.1510 2052.8904 1943.0887 98.4906 -206265.1513 17682.4454 0.0000 0.0000 34088.6657 -149636.4195 297.7048 -183725.0852 -149545.5404 298.6974 -76.0756 -44.9820 557112.3425 -3.5704 -3.5427 PRESSURE: 1293200 -223.637 -76.1233 13.5214 -76.1233 -129.207 -41.0058 13.5214 -41.0064 -17.9982 GPRESSURE: 1293200 -188.737 -31.3899 29.1026 -137.553 -101.204 -101.552 38.3053 -3.01368 18.226 PRESSAVG: 1293200 55.0736 -60.7783 12.3565 -60.7783 -1.15295 -5.06108 12.3565 -5.06095 -34.6647 GPRESSAVG: 1293200 52.924 -59.9942 12.77 -60.3116 -0.053671 -7.61814 13.2186 -3.903 -34.0146 TIMING: 1293200 CPU: 3855.25, 0.00298149/step Wall: 3855.25, 0.00298149/step, 3.06994 hours remaining, 207.226562 MB of memory in use. ENERGY: 1293200 777.1438 2063.6629 1937.3695 114.2024 -206663.0697 17931.6955 0.0000 0.0000 34314.9611 -149524.0346 299.6811 -183838.9957 -149434.5311 298.0228 -123.6141 -90.5717 557147.6092 6.4187 6.2853 PRESSURE: 1293400 -330.969 4.62902 -119.448 4.62752 -302.238 -108.731 -119.446 -108.73 -269.647 GPRESSURE: 1293400 -290.945 20.5146 -80.4519 -36.9913 -291.887 -117.555 -154.011 -63.954 -234.541 PRESSAVG: 1293400 -22.1287 -37.8875 -15.9096 -37.8876 -26.4228 21.8276 -15.9096 21.8276 57.4756 GPRESSAVG: 1293400 -21.8276 -39.0143 -15.5399 -38.6223 -27.2232 22.205 -17.0442 21.1145 57.4904 TIMING: 1293400 CPU: 3855.85, 0.00299077/step Wall: 3855.85, 0.00299077/step, 3.07933 hours remaining, 207.226562 MB of memory in use. ENERGY: 1293400 746.7393 2122.2760 1930.1257 120.0599 -205926.7493 17428.5142 0.0000 0.0000 34190.8481 -149388.1861 298.5972 -183579.0342 -149298.6115 299.1553 -300.9512 -272.4576 557978.5685 2.9747 2.8132 PRESSURE: 1293600 173.382 72.3632 38.8384 72.3627 -228.526 136.097 38.8391 136.096 -4.15774 GPRESSURE: 1293600 168.066 -35.2909 85.0475 108.453 -143.857 106.297 20.3674 144.764 0.853114 PRESSAVG: 1293600 -20.9764 14.5684 4.20973 14.5684 28.9313 7.88387 4.20977 7.88396 -6.5529 GPRESSAVG: 1293600 -21.0279 14.9855 3.19486 15.6653 28.9562 8.34818 4.378 5.82239 -6.53002 TIMING: 1293600 CPU: 3856.44, 0.00296637/step Wall: 3856.44, 0.00296637/step, 3.05404 hours remaining, 207.226562 MB of memory in use. ENERGY: 1293600 738.3681 2050.8884 1945.9739 119.5257 -206231.6091 17748.7927 0.0000 0.0000 34259.1818 -149368.8784 299.1940 -183628.0602 -149268.4066 298.4662 -19.7672 8.3540 557390.1612 0.4673 0.4661 PRESSURE: 1293800 21.8336 -204.034 -68.3344 -204.034 70.6174 -33.4104 -68.3339 -33.4096 -45.2003 GPRESSURE: 1293800 25.5189 -237.592 36.6886 -101.491 96.8037 -102.35 2.24055 -49.1534 11.0823 PRESSAVG: 1293800 27.8706 8.08908 5.63987 8.08904 -49.1331 -5.17174 5.63998 -5.17165 33.7636 GPRESSAVG: 1293800 28.6012 6.44339 5.83129 8.36983 -49.8019 -5.71626 7.76611 -1.62299 33.709 TIMING: 1293800 CPU: 3857.04, 0.00300076/step Wall: 3857.04, 0.00300076/step, 3.08928 hours remaining, 207.226562 MB of memory in use. ENERGY: 1293800 751.9885 2115.6339 1917.3617 114.0053 -206359.1490 17820.3770 0.0000 0.0000 34144.0007 -149495.7818 298.1881 -183639.7825 -149401.0300 298.3764 15.7502 44.4683 556654.9542 4.1670 4.1695 PRESSURE: 1294000 -46.3246 -77.1851 87.8562 -77.1843 184.662 2.48382 87.8558 2.48445 -44.2375 GPRESSURE: 1294000 23.7243 -66.4901 103.178 -56.6776 218.598 -50.5546 54.7603 9.81653 -54.6713 PRESSAVG: 1294000 -15.1349 35.9555 8.79049 35.9556 1.85474 -10.5597 8.79057 -10.5596 -32.7803 GPRESSAVG: 1294000 -15.6756 36.3811 9.67391 35.5316 2.70296 -13.2128 6.30882 -12.3127 -33.651 TIMING: 1294000 CPU: 3857.64, 0.00299067/step Wall: 3857.64, 0.00299067/step, 3.07873 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1294000 785.4580 2084.5581 1926.8459 117.5027 -206379.7403 17878.5221 0.0000 0.0000 34177.8117 -149409.0419 298.4833 -183586.8536 -149310.2515 298.7789 31.3667 62.5504 557252.8746 -15.3535 -15.5412 PRESSURE: 1294200 -125.633 -187.188 21.0179 -187.189 -100.51 -7.5211 21.019 -7.52104 -127.642 GPRESSURE: 1294200 -118.797 -30.0665 65.2275 -215.619 -68.1555 32.6999 -59.4515 -29.6318 -69.7759 PRESSAVG: 1294200 -11.4593 1.52622 5.90109 1.52615 47.3226 58.4725 5.90107 58.4726 -27.3074 GPRESSAVG: 1294200 -12.0091 1.12243 6.30137 1.04156 47.2945 62.132 6.03879 57.3512 -26.737 TIMING: 1294200 CPU: 3858.24, 0.00301187/step Wall: 3858.24, 0.00301187/step, 3.10039 hours remaining, 207.429688 MB of memory in use. ENERGY: 1294200 786.4201 2058.8183 1931.6569 119.5027 -206556.2461 17832.3497 0.0000 0.0000 34326.5093 -149500.9892 299.7819 -183827.4985 -149404.6393 298.7458 -117.9286 -85.5760 557924.8445 2.8520 2.8495 PRESSURE: 1294400 46.1258 -20.6483 96.0708 -20.6485 -162.196 73.2517 96.0694 73.2529 3.21257 GPRESSURE: 1294400 34.1498 41.2252 87.6363 -54.0937 -65.2064 106.662 48.2573 36.9981 12.1506 PRESSAVG: 1294400 -66.1938 -15.9468 26.1088 -15.9468 3.36866 21.3516 26.1087 21.3517 39.7395 GPRESSAVG: 1294400 -66.0597 -14.7507 24.4257 -16.1319 2.9043 19.1067 26.0233 23.4828 40.1398 TIMING: 1294400 CPU: 3858.84, 0.00300995/step Wall: 3858.84, 0.00300995/step, 3.09824 hours remaining, 207.429688 MB of memory in use. ENERGY: 1294400 740.6073 2088.9780 1923.0700 113.6040 -206245.1629 17885.1767 0.0000 0.0000 33989.7486 -149503.9782 296.8409 -183493.7268 -149413.8451 298.7348 -37.6191 -6.3020 558026.2224 -7.6952 -7.6719 PRESSURE: 1294600 -317.544 12.3736 33.5867 12.3743 -98.2993 12.3287 33.5855 12.3275 -125.259 GPRESSURE: 1294600 -200.526 -5.75603 -26.6548 -33.0427 -124.445 117.662 -19.2007 -21.9306 -109.418 PRESSAVG: 1294600 48.4577 -21.667 -8.42916 -21.6669 -68.7618 16.1738 -8.42918 16.1736 50.6318 GPRESSAVG: 1294600 48.6612 -19.0883 -8.79285 -23.3551 -68.6435 16.978 -7.63251 13.3529 50.1081 TIMING: 1294600 CPU: 3859.44, 0.00300031/step Wall: 3859.44, 0.00300031/step, 3.08816 hours remaining, 207.429688 MB of memory in use. ENERGY: 1294600 764.4225 2109.4000 1923.2086 109.2069 -206138.2276 17562.8124 0.0000 0.0000 34098.6743 -149570.5029 297.7922 -183669.1772 -149477.5626 298.2432 -180.3677 -144.7964 558094.4618 10.1092 10.0419 PRESSURE: 1294800 -26.4965 32.3338 38.133 32.3336 -183.28 -67.5571 38.1324 -67.5567 76.4731 GPRESSURE: 1294800 -29.652 -4.11851 46.1612 39.1051 -148.849 -41.0249 16.941 -97.3927 137.898 PRESSAVG: 1294800 24.2444 62.9419 -36.1286 62.9419 -37.288 -6.98135 -36.1287 -6.9814 -45.9739 GPRESSAVG: 1294800 23.4099 59.8847 -35.2466 66.3087 -37.1429 -5.82809 -36.2935 -6.46759 -44.8387 TIMING: 1294800 CPU: 3860.04, 0.00300196/step Wall: 3860.04, 0.00300196/step, 3.08968 hours remaining, 207.429688 MB of memory in use. ENERGY: 1294800 710.5124 2150.3268 1907.6400 114.4486 -206015.6574 17716.6605 0.0000 0.0000 34075.4905 -149340.5785 297.5897 -183416.0690 -149248.7793 298.3105 -44.4345 -13.5345 558753.3306 -19.6725 -19.5239 PRESSURE: 1295000 310.631 -28.0888 -106.612 -28.089 -349.089 28.6612 -106.612 28.6612 63.4563 GPRESSURE: 1295000 341.132 -1.75058 -179.689 -28.7613 -310.233 61.34 -44.9584 3.6103 95.9086 PRESSAVG: 1295000 62.9335 -8.95658 1.69063 -8.9566 -35.9228 21.4058 1.69063 21.4056 41.2052 GPRESSAVG: 1295000 63.7598 -9.94246 1.36457 -8.74831 -35.4377 20.0848 3.68991 22.8053 40.4454 TIMING: 1295000 CPU: 3860.65, 0.00301404/step Wall: 3860.65, 0.00301404/step, 3.10195 hours remaining, 207.429688 MB of memory in use. ENERGY: 1295000 777.2317 2090.4071 1900.1236 109.2753 -206465.1066 17899.2206 0.0000 0.0000 34417.8075 -149271.0407 300.5793 -183688.8482 -149174.0750 299.5654 8.3328 42.2691 556616.2940 22.7387 22.9225 PRESSURE: 1295200 326.017 -76.9012 135.52 -76.9012 152.156 109.062 135.521 109.064 246.869 GPRESSURE: 1295200 315.693 -23.9828 160.127 -156.029 212.139 51.2888 76.6748 141.135 291.039 PRESSAVG: 1295200 -40.3207 -14.4353 -2.47394 -14.4354 -31.6384 34.1551 -2.47386 34.155 52.8953 GPRESSAVG: 1295200 -40.1536 -14.6658 -1.85271 -16.925 -31.9162 36.6826 -5.2834 30.7042 52.2312 TIMING: 1295200 CPU: 3861.25, 0.00302092/step Wall: 3861.25, 0.00302092/step, 3.10887 hours remaining, 207.429688 MB of memory in use. ENERGY: 1295200 741.1894 2094.1961 1935.6656 112.2500 -206434.0682 18094.1306 0.0000 0.0000 34265.1319 -149191.5046 299.2459 -183456.6364 -149097.7799 299.3233 241.6806 272.9570 555663.6275 -6.3546 -6.6129 PRESSURE: 1295400 5.40393 -4.62743 19.2769 -4.62823 -56.8874 78.3201 19.2775 78.3185 -43.8087 GPRESSURE: 1295400 50.6651 14.0526 94.4395 -27.577 -33.0945 50.8445 -76.1448 122.414 -1.39224 PRESSAVG: 1295400 -57.3907 -13.4481 -8.13192 -13.448 25.1598 -8.09167 -8.13192 -8.09173 31.7419 GPRESSAVG: 1295400 -56.5227 -13.3878 -8.41324 -13.4073 24.0548 -8.73426 -7.74852 -6.11328 31.9368 TIMING: 1295400 CPU: 3861.86, 0.00303922/step Wall: 3861.86, 0.00303922/step, 3.12752 hours remaining, 207.429688 MB of memory in use. ENERGY: 1295400 712.7166 2163.8547 1932.7010 115.5184 -206171.7002 17631.9538 0.0000 0.0000 34341.1196 -149273.8362 299.9095 -183614.9558 -149168.0376 299.4829 -31.7641 5.3928 557373.1844 -0.1630 -0.1771 PRESSURE: 1295600 -187.344 77.8358 -147.277 77.8353 -77.2729 -78.2216 -147.277 -78.2216 -351.391 GPRESSURE: 1295600 -175.698 159.151 -89.8729 164.089 -45.9565 -37.186 -146.293 -95.3828 -300.437 PRESSAVG: 1295600 3.68322 25.2331 -39.865 25.2331 20.3213 -25.0056 -39.8649 -25.0056 -73.6618 GPRESSAVG: 1295600 2.85864 27.1012 -40.3851 27.0843 21.785 -27.4498 -39.7993 -23.8021 -74.6137 TIMING: 1295600 CPU: 3862.46, 0.00300723/step Wall: 3862.46, 0.00300723/step, 3.09444 hours remaining, 207.429688 MB of memory in use. ENERGY: 1295600 749.8508 2110.9538 1918.0408 115.4069 -205943.2894 17401.1051 0.0000 0.0000 34317.9454 -149329.9866 299.7072 -183647.9320 -149233.9791 299.0018 -205.3360 -174.0305 558413.0184 -16.5524 -16.6567 PRESSURE: 1295800 166.62 108.923 -100.563 108.924 220.129 69.6998 -100.563 69.6991 35.9353 GPRESSURE: 1295800 263.68 149.889 -25.3471 60.648 188.526 5.09579 9.38665 139.436 63.8641 PRESSAVG: 1295800 -71.1315 -20.03 -59.2625 -20.03 95.216 -3.2516 -59.2625 -3.25161 35.7503 GPRESSAVG: 1295800 -70.8843 -19.8805 -60.1809 -21.9568 93.3054 -3.10929 -56.3505 -5.08067 37.1673 TIMING: 1295800 CPU: 3863.06, 0.00298638/step Wall: 3863.06, 0.00298638/step, 3.07282 hours remaining, 207.429688 MB of memory in use. ENERGY: 1295800 776.0828 2084.1862 1907.8503 126.9931 -206803.8396 18248.1784 0.0000 0.0000 34162.8690 -149497.6799 298.3528 -183660.5488 -149404.8096 299.3795 140.8949 172.0233 557461.9501 19.9449 19.8628 PRESSURE: 1296000 5.41353 54.4353 -97.474 54.4343 -258.137 19.5308 -97.4744 19.5316 -119.318 GPRESSURE: 1296000 -5.76983 202.118 -157.95 -39.3542 -177.06 -42.9526 -27.7158 32.035 -95.3846 PRESSAVG: 1296000 6.2571 28.3476 -38.9064 28.3477 29.2829 -20.702 -38.9063 -20.7018 -30.3815 GPRESSAVG: 1296000 4.79154 27.9511 -36.8949 29.599 30.6374 -18.8104 -42.4326 -21.4073 -30.6014 TIMING: 1296000 CPU: 3863.65, 0.00296245/step Wall: 3863.65, 0.00296245/step, 3.04803 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1296000 782.0868 2075.1846 1938.6578 119.1604 -206605.3160 17851.1527 0.0000 0.0000 34230.1931 -149608.8806 298.9408 -183839.0737 -149517.8145 299.4440 -124.0140 -92.7383 556929.2972 1.7195 1.6092 PRESSURE: 1296200 -15.9709 25.3028 7.75746 25.3033 95.4684 200.822 7.75775 200.821 -89.3911 GPRESSURE: 1296200 -15.4176 57.8652 -62.0052 -40.1591 217.926 145.164 -5.30604 212.598 -100.802 PRESSAVG: 1296200 -9.31503 65.1915 25.4602 65.1915 -0.745428 7.18291 25.4601 7.18292 58.3284 GPRESSAVG: 1296200 -8.58095 65.6411 26.0495 64.4297 -0.482563 4.98269 27.134 10.102 57.6072 TIMING: 1296200 CPU: 3864.25, 0.00298206/step Wall: 3864.25, 0.00298206/step, 3.06805 hours remaining, 207.429688 MB of memory in use. ENERGY: 1296200 769.9146 2076.8012 1910.9289 102.5824 -206759.7524 18272.4604 0.0000 0.0000 34249.7369 -149377.3280 299.1115 -183627.0649 -149280.7176 299.4824 -3.2979 33.9020 558588.8302 16.0893 16.1812 LDB: ============= START OF LOAD BALANCING ============== 3867.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3867.8 LDB: =============== DONE WITH MIGRATION ================ 3867.8 LDB: ============= START OF LOAD BALANCING ============== 3868.1 LDB: Largest compute 4796 load 0.027564 is 23.3% of average load 0.118137 LDB: Average compute 0.001729 is 1.5% of average load 0.118137 LDB: TIME 3868.1 LOAD: AVG 0.118137 MAX 0.211492 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.281 MB LDB: TIME 3868.1 LOAD: AVG 0.118137 MAX 0.211492 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: TIME 3868.1 LOAD: AVG 0.118137 MAX 0.211492 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3868.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3868.11 PRESSURE: 1296400 40.1653 -31.4624 -139.597 -31.4622 -145.796 69.0765 -139.596 69.0759 -31.9159 GPRESSURE: 1296400 66.8584 -73.871 -79.002 2.78793 -119.47 101.7 -185.563 62.8272 9.70052 PRESSAVG: 1296400 43.0972 -2.22958 28.6828 -2.22965 -20.4263 18.5935 28.6827 18.5935 29.5996 GPRESSAVG: 1296400 42.7606 -3.27283 28.8028 -2.62061 -21.2581 19.0205 28.7343 17.752 30.861 TIMING: 1296400 CPU: 3864.86, 0.00306201/step Wall: 3864.86, 0.00306201/step, 3.15013 hours remaining, 207.855469 MB of memory in use. ENERGY: 1296400 788.9055 2068.3290 1937.9434 119.8508 -206875.1931 18149.0223 0.0000 0.0000 34207.9718 -149603.1704 298.7467 -183811.1422 -149502.6155 299.5272 -45.8487 -14.3038 557657.5379 17.4235 17.4545 PRESSURE: 1296600 6.32012 51.5404 -12.5881 51.5414 -129.971 63.123 -12.5865 63.123 -188.358 GPRESSURE: 1296600 39.8404 51.5767 -94.3267 89.1057 -44.7081 82.1492 -70.3803 -12.1453 -204.753 PRESSAVG: 1296600 40.2308 52.8387 -19.6659 52.8388 -23.3063 7.23538 -19.6658 7.23535 -15.2132 GPRESSAVG: 1296600 41.0312 52.8617 -21.2512 55.6692 -23.8142 8.63379 -19.5959 5.36903 -15.4243 TIMING: 1296600 CPU: 3865.46, 0.00299579/step Wall: 3865.46, 0.00299579/step, 3.08184 hours remaining, 207.855469 MB of memory in use. ENERGY: 1296600 796.0192 2116.8829 1922.4181 103.8725 -206285.7181 17776.8631 0.0000 0.0000 34219.5002 -149350.1620 298.8474 -183569.6622 -149251.6526 298.6769 -104.0028 -69.8735 557058.7681 0.5705 0.5976 PRESSURE: 1296800 -178.959 -53.7176 140.844 -53.7163 -52.2252 -7.74161 140.843 -7.73972 -130.057 GPRESSURE: 1296800 -181.964 -21.4697 139.691 -113.772 -2.40929 -19.5924 136.075 32.9207 -81.8867 PRESSAVG: 1296800 54.1374 38.9149 -37.1177 38.9151 19.9956 -7.16808 -37.1178 -7.16804 -101.865 GPRESSAVG: 1296800 53.513 38.4036 -37.7836 35.5952 21.1471 -7.44829 -38.2458 -4.79353 -102.511 TIMING: 1296800 CPU: 3866.06, 0.00299332/step Wall: 3866.06, 0.00299332/step, 3.07912 hours remaining, 207.855469 MB of memory in use. ENERGY: 1296800 768.4637 2118.8941 1928.1099 115.4934 -206333.4094 17794.5999 0.0000 0.0000 34311.8728 -149295.9758 299.6541 -183607.8485 -149194.4544 298.9366 -120.4138 -88.7532 558388.1260 -9.2440 -9.2836 PRESSURE: 1297000 -98.3165 112.942 -44.2141 112.942 190.793 -49.9108 -44.2134 -49.9112 36.2565 GPRESSURE: 1297000 -49.2287 179.494 -39.3078 120.615 203.048 -49.2099 -54.0244 -47.2739 82.4309 PRESSAVG: 1297000 -45.6252 65.5499 34.4435 65.5498 31.8188 -74.4711 34.4436 -74.4711 46.5774 GPRESSAVG: 1297000 -44.7724 67.6973 34.0149 66.0758 31.2854 -75.0415 35.3906 -75.3668 46.6891 TIMING: 1297000 CPU: 3866.65, 0.00297969/step Wall: 3866.65, 0.00297969/step, 3.06494 hours remaining, 207.855469 MB of memory in use. ENERGY: 1297000 739.0621 2082.8780 1946.8332 111.2616 -206321.5469 17897.3131 0.0000 0.0000 34343.5295 -149200.6694 299.9306 -183544.1989 -149096.8200 299.4403 42.9109 78.7502 557613.9779 10.9237 11.0674 PRESSURE: 1297200 -108.091 -19.7172 -53.1421 -19.7171 -63.352 -77.149 -53.1416 -77.1483 -152.382 GPRESSURE: 1297200 -64.5499 -52.2106 -97.0713 -35.8167 -53.9797 -43.571 -12.526 -44.3955 -99.5735 PRESSAVG: 1297200 -90.1942 13.8422 23.4154 13.8422 9.39145 -0.14836 23.4154 -0.148251 67.949 GPRESSAVG: 1297200 -89.5528 13.132 25.6872 13.9438 9.41521 -1.04028 21.8603 -0.139449 67.4924 TIMING: 1297200 CPU: 3867.24, 0.00296022/step Wall: 3867.24, 0.00296022/step, 3.04475 hours remaining, 207.855469 MB of memory in use. ENERGY: 1297200 722.4066 2041.2573 1960.3850 105.8810 -205905.2033 17617.5587 0.0000 0.0000 34286.8574 -149170.8573 299.4357 -183457.7147 -149071.1971 299.3934 -107.9417 -72.7010 558506.1122 -4.2846 -4.2150 PRESSURE: 1297400 -18.6938 -97.185 -60.3761 -97.1849 -289.896 19.5128 -60.3752 19.514 -151.794 GPRESSURE: 1297400 -11.6395 -112.375 -8.69634 -63.9514 -209.273 -6.05917 -88.3883 112.943 -139.639 PRESSAVG: 1297400 39.7789 -105.245 -14.8043 -105.245 -26.1838 -82.734 -14.8043 -82.734 2.24375 GPRESSAVG: 1297400 39.8651 -104.518 -14.6502 -106.335 -26.0423 -83.1206 -15.727 -82.6284 2.41461 TIMING: 1297400 CPU: 3867.84, 0.00296942/step Wall: 3867.84, 0.00296942/step, 3.05404 hours remaining, 207.855469 MB of memory in use. ENERGY: 1297400 747.1430 2048.0558 1930.3981 109.6901 -206199.9562 17715.8365 0.0000 0.0000 34391.1713 -149257.6614 300.3467 -183648.8327 -149165.8305 298.9909 -153.4612 -120.1838 558294.7766 5.2796 5.4125 PRESSURE: 1297600 -234.573 -67.1377 -1.62088 -67.1385 -307.22 96.7319 -1.62135 96.7319 123.863 GPRESSURE: 1297600 -129.839 -71.3145 -9.82233 -61.9084 -282.293 90.2601 -14.778 73.4121 96.2943 PRESSAVG: 1297600 32.0925 -40.1004 8.08249 -40.1004 -43.1459 -14.3586 8.08256 -14.3586 9.14211 GPRESSAVG: 1297600 30.4761 -43.6571 5.19818 -37.9056 -42.3376 -12.5736 9.32262 -15.0355 10.0224 TIMING: 1297600 CPU: 3868.43, 0.00298694/step Wall: 3868.43, 0.00298694/step, 3.07191 hours remaining, 207.914062 MB of memory in use. ENERGY: 1297600 778.0506 2048.9083 1917.3276 110.3915 -205768.4384 17502.7702 0.0000 0.0000 34102.5320 -149308.4583 297.8259 -183410.9903 -149209.3519 299.6297 -139.3100 -105.2794 557118.4072 -0.6371 -0.6130 PRESSURE: 1297800 93.8178 -153.431 -18.828 -153.431 201.234 20.282 -18.8284 20.281 -137.621 GPRESSURE: 1297800 136.774 -221.85 -58.4474 -118.623 186.359 25.5586 10.601 -75.4764 -73.647 PRESSAVG: 1297800 42.0406 -53.2414 55.4393 -53.2415 53.2302 7.26006 55.4393 7.26 -57.2535 GPRESSAVG: 1297800 44.6012 -51.8455 56.5886 -54.2766 52.7271 8.51338 56.1941 6.11073 -58.532 TIMING: 1297800 CPU: 3869.03, 0.00300097/step Wall: 3869.03, 0.00300097/step, 3.08617 hours remaining, 207.914062 MB of memory in use. ENERGY: 1297800 742.4325 2115.4713 1899.2323 103.4789 -206083.6223 17675.1773 0.0000 0.0000 34419.3878 -149128.4422 300.5931 -183547.8300 -149030.7910 299.7477 52.4771 83.1621 556213.3708 12.6724 12.9321 PRESSURE: 1298000 -137.655 104.453 41.6963 104.453 -68.0637 -32.394 41.6947 -32.3933 153.287 GPRESSURE: 1298000 -91.5168 119.111 -47.724 77.0654 -48.0034 -80.5213 90.6348 23.5225 169.197 PRESSAVG: 1298000 -52.3551 -27.1872 25.6587 -27.1871 72.0936 -36.6525 25.6587 -36.6526 -77.6149 GPRESSAVG: 1298000 -53.7807 -25.6578 27.1594 -27.2107 72.6604 -36.8231 25.7079 -34.8797 -76.858 TIMING: 1298000 CPU: 3869.65, 0.00305181/step Wall: 3869.65, 0.00305181/step, 3.13828 hours remaining, 207.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1298000 756.1718 2049.1774 1936.0978 98.5521 -205930.0587 17663.7328 0.0000 0.0000 34418.6577 -149007.6691 300.5867 -183426.3268 -148907.7559 300.1510 -17.4772 9.8923 555941.9407 -19.2921 -19.3261 PRESSURE: 1298200 232.443 -107.977 -12.2378 -107.977 40.599 54.5808 -12.2381 54.5825 111.147 GPRESSURE: 1298200 209.067 9.3956 -51.7837 -64.9717 125.548 3.9609 -45.7773 14.6914 143.381 PRESSAVG: 1298200 45.9184 -62.7077 3.36967 -62.7078 12.8067 -59.5058 3.36964 -59.5059 -20.8599 GPRESSAVG: 1298200 44.4974 -64.7441 0.849436 -60.979 12.1479 -60.3342 3.96465 -58.9987 -19.319 TIMING: 1298200 CPU: 3870.24, 0.00299749/step Wall: 3870.24, 0.00299749/step, 3.08225 hours remaining, 207.914062 MB of memory in use. ENERGY: 1298200 749.0792 2131.8503 1913.0857 101.2733 -206139.9871 17945.7270 0.0000 0.0000 34147.7002 -149151.2714 298.2204 -183298.9716 -149054.5360 299.1822 128.0628 159.3319 556029.1957 12.6218 12.4421 PRESSURE: 1298400 -29.4655 66.8794 -23.7639 66.8793 -226.111 -116.582 -23.764 -116.583 -150.269 GPRESSURE: 1298400 -5.5228 60.4472 -24.8182 51.4538 -181.629 -151.599 -57.1644 -53.7844 -117.346 PRESSAVG: 1298400 11.0288 -17.4376 24.4607 -17.4376 81.38 -33.5716 24.4608 -33.5716 -26.3513 GPRESSAVG: 1298400 11.6571 -17.1684 24.5743 -19.3543 80.7491 -34.683 21.3174 -34.1813 -26.4194 TIMING: 1298400 CPU: 3870.84, 0.0029728/step Wall: 3870.84, 0.0029728/step, 3.0567 hours remaining, 207.914062 MB of memory in use. ENERGY: 1298400 733.2804 2084.5622 1927.0506 118.4298 -205736.2084 17516.8012 0.0000 0.0000 34104.0295 -149252.0547 297.8390 -183356.0842 -149155.3671 300.0630 -135.2817 -101.4995 556402.9127 22.0192 21.9956 PRESSURE: 1298600 132.724 -87.3207 -42.1196 -87.3212 145.384 34.9481 -42.1178 34.9468 83.6955 GPRESSURE: 1298600 170.721 -99.0516 -53.4137 -189.284 144.84 44.512 -66.2935 38.467 151.295 PRESSAVG: 1298600 5.16901 -49.0936 -16.8973 -49.0937 -25.67 7.82869 -16.8973 7.82881 -7.40903 GPRESSAVG: 1298600 4.55927 -47.6554 -15.4001 -49.6645 -24.6553 7.61115 -14.8978 7.07978 -8.39178 TIMING: 1298600 CPU: 3871.44, 0.00300366/step Wall: 3871.44, 0.00300366/step, 3.08827 hours remaining, 207.914062 MB of memory in use. ENERGY: 1298600 732.4532 2078.0195 1914.4509 121.2726 -206557.6309 18037.8514 0.0000 0.0000 34189.7290 -149483.8543 298.5874 -183673.5833 -149388.8794 298.7148 120.6010 155.6186 556369.1500 -9.3033 -9.4959 PRESSURE: 1298800 247.401 59.3703 -133.209 59.3696 9.9556 -142.659 -133.208 -142.66 78.5287 GPRESSURE: 1298800 254.689 55.8148 -67.3846 16.4822 40.0137 -137.785 -117.853 -137.392 130.55 PRESSAVG: 1298800 9.4512 10.3015 48.1241 10.3015 -43.4328 -22.9192 48.1241 -22.9193 23.7598 GPRESSAVG: 1298800 10.5223 8.61121 48.3366 11.7787 -44.2575 -20.864 47.7852 -23.9672 23.9731 TIMING: 1298800 CPU: 3872.04, 0.00299654/step Wall: 3872.04, 0.00299654/step, 3.08078 hours remaining, 207.914062 MB of memory in use. ENERGY: 1298800 760.3324 2015.4489 1950.4668 105.5133 -206500.5488 18129.4621 0.0000 0.0000 34028.4543 -149510.8709 297.1790 -183539.3252 -149417.5344 298.6141 111.9617 141.7507 557284.6426 -3.4073 -3.2540 PRESSURE: 1299000 -61.9709 154.219 -146.006 154.22 -188.134 91.4938 -146.007 91.4945 -69.1187 GPRESSURE: 1299000 -74.7701 187.86 -231.663 193.489 -119.498 28.4938 -39.098 145.263 -38.9975 PRESSAVG: 1299000 2.93907 -1.29412 -27.1735 -1.29408 33.702 42.1735 -27.1736 42.1736 -22.7968 GPRESSAVG: 1299000 2.62524 0.227349 -27.6101 -0.801035 33.6238 39.9831 -24.948 43.9925 -21.7106 TIMING: 1299000 CPU: 3872.64, 0.00299445/step Wall: 3872.64, 0.00299445/step, 3.07847 hours remaining, 207.914062 MB of memory in use. ENERGY: 1299000 767.3701 2071.1165 1943.9606 122.6151 -206639.8967 17954.5519 0.0000 0.0000 34364.7173 -149415.5651 300.1156 -183780.2824 -149324.3214 298.7105 -106.4077 -77.7552 558016.7187 4.6148 4.8461 PRESSURE: 1299200 108.584 50.3857 -71.973 50.385 137.184 18.3288 -71.9738 18.3257 -19.7785 GPRESSURE: 1299200 132.008 76.7521 -89.4976 60.1729 194.469 -1.69488 -80.5448 76.2484 -1.67087 PRESSAVG: 1299200 18.6418 26.0287 23.9783 26.0287 -3.42451 61.6595 23.9784 61.6595 -34.3779 GPRESSAVG: 1299200 18.2935 24.5193 23.3451 24.0777 -2.78875 60.5232 22.8058 61.4595 -35.0865 TIMING: 1299200 CPU: 3873.23, 0.00295408/step Wall: 3873.23, 0.00295408/step, 3.0368 hours remaining, 207.914062 MB of memory in use. ENERGY: 1299200 740.7525 2091.4200 1917.2350 115.7344 -206696.6546 18160.7098 0.0000 0.0000 34277.9498 -149392.8531 299.3579 -183670.8029 -149294.7011 299.3223 75.3298 108.2687 558394.3373 -6.3869 -6.5273 PRESSURE: 1299400 140.71 149.391 -162.022 149.392 62.9645 -188.403 -162.023 -188.403 -171.644 GPRESSURE: 1299400 191.261 124.104 -92.9563 101.612 92.5074 -113.893 -131.145 -231.804 -151.767 PRESSAVG: 1299400 -2.19147 -23.1487 17.963 -23.1486 -30.5327 -27.7859 17.963 -27.786 37.911 GPRESSAVG: 1299400 -0.735237 -22.5236 18.0615 -22.82 -29.9427 -24.0216 19.0697 -28.9563 36.2539 TIMING: 1299400 CPU: 3873.82, 0.00295355/step Wall: 3873.82, 0.00295355/step, 3.03608 hours remaining, 207.914062 MB of memory in use. ENERGY: 1299400 741.4619 2132.7492 1918.3291 119.5788 -206387.8026 18125.4721 0.0000 0.0000 33866.9202 -149483.2915 295.7682 -183350.2117 -149390.0364 298.9325 10.6770 44.0005 559749.0202 1.7289 1.8586 PRESSURE: 1299600 37.1836 -47.0078 -84.6933 -47.0085 -322.052 196.939 -84.695 196.938 -199.002 GPRESSURE: 1299600 95.3477 -69.2 -189.66 -73.4792 -307.245 133.492 22.1441 283.393 -176.762 PRESSAVG: 1299600 6.65293 -7.4394 -66.8879 -7.43945 -46.1598 53.3265 -66.8879 53.3267 31.4487 GPRESSAVG: 1299600 6.36606 -8.59213 -66.6012 -7.02069 -47.2457 54.0097 -67.5547 51.6027 32.4336 TIMING: 1299600 CPU: 3874.41, 0.00295711/step Wall: 3874.41, 0.00295711/step, 3.03958 hours remaining, 207.914062 MB of memory in use. ENERGY: 1299600 750.7720 2053.0634 1928.0739 121.4883 -206182.6491 17620.7500 0.0000 0.0000 34220.0025 -149488.4991 298.8518 -183708.5016 -149390.1854 298.1867 -161.2902 -129.5531 558816.7435 -2.6861 -2.8154 PRESSURE: 1299800 -471.609 -119.518 -29.2097 -119.518 -178.112 70.9557 -29.2096 70.9551 274.615 GPRESSURE: 1299800 -440.732 -149.604 -4.00225 -165.754 -143.685 131.126 16.0416 93.7383 315.963 PRESSAVG: 1299800 15.0225 10.2047 2.72738 10.2047 1.30863 16.4439 2.72735 16.444 -17.0232 GPRESSAVG: 1299800 14.2268 10.1092 4.0976 9.91378 1.66446 15.467 0.355266 19.7229 -16.9863 TIMING: 1299800 CPU: 3875.01, 0.0030041/step Wall: 3875.01, 0.0030041/step, 3.08772 hours remaining, 207.914062 MB of memory in use. ENERGY: 1299800 740.0164 2104.5120 1936.2072 104.7915 -206359.6610 17610.1051 0.0000 0.0000 34225.5080 -149638.5208 298.8999 -183864.0288 -149541.9031 298.4612 -125.0353 -89.4848 557279.7766 -0.2307 -0.3650 PRESSURE: 1300000 -6.00699 168.35 30.5494 168.35 -95.5817 65.3117 30.5485 65.3127 317.099 GPRESSURE: 1300000 48.2824 123.323 47.6063 225.339 -77.1423 61.8697 51.3991 5.91678 356.327 PRESSAVG: 1300000 -50.7425 13.7854 83.8056 13.7855 -12.444 26.9166 83.8056 26.9166 60.0654 GPRESSAVG: 1300000 -51.434 14.8244 80.4455 14.0932 -11.6829 26.3465 86.5163 26.0103 60.2529 TIMING: 1300000 CPU: 3875.62, 0.00303134/step Wall: 3875.62, 0.00303134/step, 3.11554 hours remaining, 207.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1300000 720.0026 2090.5048 1934.3624 116.4365 -206748.4320 17933.5282 0.0000 0.0000 34268.7981 -149684.7995 299.2779 -183953.5976 -149598.3562 298.0161 71.8368 109.1556 555830.6865 -1.0404 -0.9547 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1300000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 1300000 WRITING COORDINATES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1300200 -0.687181 -194.068 -138.526 -194.068 -237.894 64.8641 -138.525 64.8643 -102.788 GPRESSURE: 1300200 74.32 -223.34 -78.4694 -216.552 -254.436 61.6342 -172.213 32.3989 -65.2886 PRESSAVG: 1300200 -40.4845 -55.144 37.6231 -55.1439 -49.7571 32.7976 37.6231 32.7976 109.211 GPRESSAVG: 1300200 -40.4389 -55.717 41.0791 -54.8656 -50.2598 32.4858 35.946 34.4192 109.512 TIMING: 1300200 CPU: 3876.24, 0.00311427/step Wall: 3876.24, 0.00311427/step, 3.2006 hours remaining, 207.914062 MB of memory in use. ENERGY: 1300200 749.7762 2082.0966 1941.5686 108.8252 -206214.6063 17645.2409 0.0000 0.0000 34156.5995 -149530.4992 298.2981 -183687.0987 -149429.5130 298.7555 -113.7896 -81.8017 556722.0043 6.3232 6.2712 LDB: ============= START OF LOAD BALANCING ============== 3879.79 LDB: ============== END OF LOAD BALANCING =============== 3879.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3879.8 LDB: ============= START OF LOAD BALANCING ============== 3880.1 LDB: Largest compute 4796 load 0.027169 is 23.0% of average load 0.118151 LDB: Average compute 0.001722 is 1.5% of average load 0.118151 LDB: TIME 3880.1 LOAD: AVG 0.118151 MAX 0.209675 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.82 MB LDB: TIME 3880.1 LOAD: AVG 0.118151 MAX 0.209675 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.824 MB LDB: TIME 3880.1 LOAD: AVG 0.118151 MAX 0.209675 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.824 MB LDB: ============== END OF LOAD BALANCING =============== 3880.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3880.11 PRESSURE: 1300400 -25.8886 -141.826 -35.6919 -141.825 -22.8108 89.2587 -35.6912 89.2585 76.461 GPRESSURE: 1300400 -17.9974 -76.5059 -22.869 -158.704 53.3148 129.783 -48.8013 85.7354 85.4746 PRESSAVG: 1300400 53.4775 -74.7605 -25.6677 -74.7605 -32.3043 63.839 -25.6677 63.839 -14.0937 GPRESSAVG: 1300400 53.4303 -74.4454 -27.3515 -74.2311 -31.9532 63.9323 -24.5129 64.7569 -14.7984 TIMING: 1300400 CPU: 3876.86, 0.00307884/step Wall: 3876.86, 0.00307884/step, 3.16402 hours remaining, 207.722656 MB of memory in use. ENERGY: 1300400 734.9650 2112.8623 1956.9478 125.9653 -206395.1554 17894.9885 0.0000 0.0000 34229.8286 -149339.5979 298.9376 -183569.4265 -149250.7297 299.3175 9.2539 40.2640 557946.9285 2.3598 2.2262 PRESSURE: 1300600 29.2373 -30.8571 57.3415 -30.8585 -77.074 -141.808 57.3403 -141.807 71.6589 GPRESSURE: 1300600 84.6022 24.3619 81.4647 -52.9716 -83.7888 -214.174 110.404 -131.074 129.794 PRESSAVG: 1300600 -29.6384 -25.627 -28.2683 -25.627 -34.5705 -44.7884 -28.2684 -44.7886 26.6893 GPRESSAVG: 1300600 -29.451 -25.7165 -27.1941 -25.6735 -34.6182 -45.7903 -28.3814 -47.0579 26.6264 TIMING: 1300600 CPU: 3877.46, 0.00299759/step Wall: 3877.46, 0.00299759/step, 3.08035 hours remaining, 207.921875 MB of memory in use. ENERGY: 1300600 754.8128 2026.2716 1952.2634 119.5041 -206321.9446 17756.9034 0.0000 0.0000 34205.8929 -149506.2963 298.7286 -183712.1892 -149400.3289 299.2490 7.9407 43.5357 556664.2396 -12.5065 -12.4810 PRESSURE: 1300800 -93.5006 130.772 -49.7184 130.77 146.667 -13.0095 -49.7189 -13.0092 82.4812 GPRESSURE: 1300800 -32.6698 136.895 -2.48608 156.726 211.907 29.9568 -121.796 -36.7944 49.8838 PRESSAVG: 1300800 28.3146 14.9206 -30.7319 14.9207 31.3658 -47.4659 -30.7319 -47.4659 -33.9322 GPRESSAVG: 1300800 29.7552 14.9637 -30.7016 13.1867 30.4896 -48.1515 -30.4913 -48.3805 -34.2835 TIMING: 1300800 CPU: 3878.06, 0.00304271/step Wall: 3878.06, 0.00304271/step, 3.12655 hours remaining, 207.921875 MB of memory in use. ENERGY: 1300800 746.3975 2067.1561 1947.8318 113.7708 -206349.1340 17990.0761 0.0000 0.0000 34081.2431 -149402.6586 297.6400 -183483.9017 -149307.7419 298.2420 45.2159 76.3737 557610.7401 8.5827 8.6538 PRESSURE: 1301000 79.4766 -130.806 40.4879 -130.807 -67.708 114.283 40.487 114.283 -18.1932 GPRESSURE: 1301000 130.551 -109.252 -64.0185 -157.035 -73.3042 66.3825 68.9129 141.508 8.32065 PRESSAVG: 1301000 46.7963 0.0549073 -6.62536 0.0549926 43.9475 -62.1728 -6.62542 -62.1728 -75.3556 GPRESSAVG: 1301000 45.2278 -0.480399 -8.00976 -0.099313 44.3345 -60.954 -7.283 -60.9042 -74.6385 TIMING: 1301000 CPU: 3878.67, 0.00302797/step Wall: 3878.67, 0.00302797/step, 3.11124 hours remaining, 207.921875 MB of memory in use. ENERGY: 1301000 751.6265 2082.3398 1944.4318 111.8723 -206309.6438 17732.2942 0.0000 0.0000 34204.6895 -149482.3896 298.7181 -183687.0791 -149387.2395 298.5545 -2.1415 21.8557 556624.9315 5.1294 4.9746 PRESSURE: 1301200 -15.1656 39.9678 -37.6779 39.9672 382.408 -35.9792 -37.6773 -35.9799 286.446 GPRESSURE: 1301200 -13.2095 2.00123 51.6981 6.56324 418.51 -14.6985 -91.4158 -25.1371 339.226 PRESSAVG: 1301200 18.2917 -18.8016 18.0504 -18.8016 3.4461 31.4978 18.0506 31.4978 28.1864 GPRESSAVG: 1301200 17.98 -18.3042 18.9773 -19.1034 3.71133 31.2588 17.5664 31.849 28.8261 TIMING: 1301200 CPU: 3879.26, 0.0029678/step Wall: 3879.26, 0.0029678/step, 3.04925 hours remaining, 207.921875 MB of memory in use. ENERGY: 1301200 794.3182 2039.3983 1917.1117 106.3350 -207045.4996 18347.6391 0.0000 0.0000 34351.0592 -149489.6381 299.9963 -183840.6974 -149386.5992 299.3591 217.8963 248.1753 556812.4627 16.6414 16.8392 PRESSURE: 1301400 -87.7317 -107.715 77.6567 -107.716 198.899 -50.307 77.6566 -50.3072 -254.933 GPRESSURE: 1301400 -58.6324 -146.223 -17.3648 -103.375 187.962 63.9795 132.308 -93.1152 -172.287 PRESSAVG: 1301400 -10.5061 0.301077 -37.3535 0.301147 15.6753 32.4658 -37.3535 32.4658 -9.41261 GPRESSAVG: 1301400 -8.86842 -0.361888 -38.1753 1.28921 15.6286 32.524 -37.2491 32.9759 -10.8376 TIMING: 1301400 CPU: 3879.85, 0.00294348/step Wall: 3879.85, 0.00294348/step, 3.0241 hours remaining, 207.921875 MB of memory in use. ENERGY: 1301400 737.2291 2043.6631 1935.4919 129.8000 -206496.2123 17929.7021 0.0000 0.0000 34320.6216 -149399.7047 299.7305 -183720.3263 -149296.1052 299.2107 -47.9218 -14.3190 557910.6807 -1.4145 -1.3592 PRESSURE: 1301600 -61.1372 139.879 58.5705 139.878 -73.9408 126.116 58.5708 126.115 -76.501 GPRESSURE: 1301600 17.847 170.468 46.2505 205.411 -20.0916 171.322 97.9389 60.1739 -109.833 PRESSAVG: 1301600 60.6594 -29.4774 41.5847 -29.4774 -37.7474 27.9388 41.5847 27.9387 28.0701 GPRESSAVG: 1301600 60.6718 -29.0966 42.9645 -29.6844 -37.8129 31.244 42.629 26.4779 27.6338 TIMING: 1301600 CPU: 3880.45, 0.00298417/step Wall: 3880.45, 0.00298417/step, 3.06574 hours remaining, 207.921875 MB of memory in use. ENERGY: 1301600 781.8914 2033.1623 1937.1998 103.1947 -206140.5949 17710.2059 0.0000 0.0000 34217.9607 -149356.9801 298.8340 -183574.9407 -149260.3633 299.1024 -70.5263 -37.3593 557719.8870 16.9941 16.8309 PRESSURE: 1301800 31.0416 66.4195 -30.5238 66.4191 -114.557 5.29633 -30.524 5.29691 -49.5462 GPRESSURE: 1301800 32.282 -25.252 -22.3586 54.8888 -43.1865 131.109 79.0073 -16.8643 -25.0578 PRESSAVG: 1301800 9.24899 -6.45555 -15.6913 -6.45561 32.0906 40.6427 -15.6913 40.6427 -37.8862 GPRESSAVG: 1301800 8.80206 -5.91191 -15.2528 -6.4428 31.4199 39.4522 -14.9239 42.2049 -37.4438 TIMING: 1301800 CPU: 3881.04, 0.00296112/step Wall: 3881.04, 0.00296112/step, 3.0419 hours remaining, 207.921875 MB of memory in use. ENERGY: 1301800 733.7569 2086.3066 1932.8763 119.1857 -206334.6603 17664.5955 0.0000 0.0000 34326.0160 -149471.9232 299.7776 -183797.9392 -149378.6407 299.0057 -44.3539 -11.9874 556793.7672 1.1511 0.9261 PRESSURE: 1302000 1.2609 73.4404 40.446 73.4402 -222.456 -46.2483 40.4463 -46.2486 -64.5297 GPRESSURE: 1302000 32.6225 48.0083 73.1108 86.6386 -146.165 -0.988355 84.556 -62.7136 -84.9491 PRESSAVG: 1302000 97.5406 -31.5363 15.6385 -31.5363 -63.8927 -1.19851 15.6385 -1.19847 -22.6422 GPRESSAVG: 1302000 96.8881 -32.4063 14.581 -32.5299 -63.9149 -1.98887 13.7315 -2.01398 -21.7081 TIMING: 1302000 CPU: 3881.64, 0.00299393/step Wall: 3881.64, 0.00299393/step, 3.07543 hours remaining, 207.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1302000 717.9266 2069.9992 1945.1121 132.0212 -206313.4255 17822.4421 0.0000 0.0000 34229.9931 -149395.9313 298.9390 -183625.9244 -149294.7923 299.2469 -95.2415 -66.1638 557482.6311 3.6686 3.7550 PRESSURE: 1302200 13.2219 -161.542 75.5813 -161.542 -40.258 72.992 75.5827 72.9926 -179.495 GPRESSURE: 1302200 44.8787 -231.931 -54.1174 -135.915 -22.1765 85.1569 188.767 16.8482 -140.53 PRESSAVG: 1302200 -9.8477 19.0959 40.87 19.096 70.8143 -35.1037 40.8699 -35.1039 -16.3163 GPRESSAVG: 1302200 -8.77132 16.3944 41.1182 21.5819 71.0391 -35.9517 42.6774 -35.434 -16.8502 TIMING: 1302200 CPU: 3882.25, 0.00303085/step Wall: 3882.25, 0.00303085/step, 3.11319 hours remaining, 207.921875 MB of memory in use. ENERGY: 1302200 758.5777 2061.4943 1943.8838 130.0062 -206091.8998 17773.3323 0.0000 0.0000 34174.6548 -149249.9506 298.4558 -183424.6054 -149153.7862 298.7506 -68.8438 -39.2759 557942.6963 14.8835 15.1392 PRESSURE: 1302400 -120.04 76.5656 -33.5928 76.5658 -164.556 90.7126 -33.5933 90.7131 -128.46 GPRESSURE: 1302400 -83.6388 132.249 -6.51763 87.6462 -155.619 140.511 -79.6272 45.3682 -74.4147 PRESSAVG: 1302400 -29.6548 -2.56121 78.7302 -2.56117 -16.9761 -13.3989 78.7302 -13.3988 26.3041 GPRESSAVG: 1302400 -29.6169 -2.19373 78.574 -3.70362 -16.6694 -14.0548 76.7679 -12.5079 26.0761 TIMING: 1302400 CPU: 3882.85, 0.00301918/step Wall: 3882.85, 0.00301918/step, 3.10103 hours remaining, 207.921875 MB of memory in use. ENERGY: 1302400 735.4304 2076.8414 1959.8456 126.9862 -206159.3200 17638.4393 0.0000 0.0000 34335.9446 -149285.8326 299.8643 -183621.7772 -149188.2826 299.4489 -137.6855 -104.5575 558575.1979 -6.7756 -6.7368 PRESSURE: 1302600 -2.61173 23.9664 -0.082053 23.9659 -242.469 179.111 -0.0806321 179.111 -167.558 GPRESSURE: 1302600 25.7363 126.082 42.7488 -31.9726 -234.548 223.783 -40.7096 74.5757 -113.857 PRESSAVG: 1302600 22.789 -37.6319 -14.1264 -37.6318 -31.8068 -4.45006 -14.1264 -4.44996 10.8157 GPRESSAVG: 1302600 21.5909 -36.7937 -16.0964 -37.7056 -31.4051 -3.27229 -11.6268 -5.05473 11.4151 TIMING: 1302600 CPU: 3883.45, 0.00300318/step Wall: 3883.45, 0.00300318/step, 3.08444 hours remaining, 207.921875 MB of memory in use. ENERGY: 1302600 783.5757 2094.6062 1949.8481 120.2923 -206385.8132 17858.6043 0.0000 0.0000 34072.6047 -149506.2819 297.5645 -183578.8866 -149409.6705 299.3901 -137.5462 -107.5563 557332.9404 0.5993 0.5336 PRESSURE: 1302800 203.235 -119.822 -44.9837 -119.821 -114.338 201.42 -44.9833 201.422 151.462 GPRESSURE: 1302800 230.373 -133.895 42.1331 -76.2759 -68.301 98.7516 -67.1464 266.726 168.81 PRESSAVG: 1302800 -10.0781 -45.8598 17.8252 -45.8596 -20.2673 35.9589 17.8252 35.9589 54.4581 GPRESSAVG: 1302800 -10.2552 -45.1718 18.0442 -46.6184 -19.7811 35.452 18.2359 36.1266 53.7415 TIMING: 1302800 CPU: 3884.06, 0.00302401/step Wall: 3884.06, 0.00302401/step, 3.10566 hours remaining, 207.921875 MB of memory in use. ENERGY: 1302800 761.4012 2135.7473 1931.6784 121.1123 -206477.4570 18104.6897 0.0000 0.0000 34019.5401 -149403.2880 297.1011 -183422.8281 -149310.0998 298.8768 80.1198 110.2941 557891.2094 8.0376 7.9017 PRESSURE: 1303000 62.7509 -62.5449 61.3135 -62.5449 87.967 -49.2545 61.3134 -49.2534 365.554 GPRESSURE: 1303000 150.186 -81.7823 11.0548 80.7507 105.844 -101.143 143.628 -27.2143 360.024 PRESSAVG: 1303000 -51.7875 4.4862 22.8636 4.48626 4.18144 -13.1837 22.8636 -13.1836 107.711 GPRESSAVG: 1303000 -50.0097 6.22999 22.5014 4.82622 3.58819 -13.0583 21.5005 -13.8564 107.472 TIMING: 1303000 CPU: 3884.65, 0.00298922/step Wall: 3884.65, 0.00298922/step, 3.06976 hours remaining, 207.921875 MB of memory in use. ENERGY: 1303000 758.3713 2092.7267 1963.2659 121.0997 -206552.5385 18085.3680 0.0000 0.0000 34092.2757 -149439.4313 297.7363 -183531.7069 -149345.3996 299.0451 172.0908 205.3513 555937.2481 20.0349 20.3502 PRESSURE: 1303200 -79.0366 -4.38565 176.538 -4.38529 -148.607 -9.00116 176.538 -9.0005 -36.7274 GPRESSURE: 1303200 -54.0194 -51.4008 185.051 12.892 -108.033 -50.2085 143.916 -93.3139 -19.8329 PRESSAVG: 1303200 8.41124 -89.2938 41.4001 -89.2939 6.46674 49.6158 41.4002 49.6158 -31.5706 GPRESSAVG: 1303200 8.16208 -92.319 43.8334 -90.1695 6.10457 49.3118 39.6709 48.375 -30.647 TIMING: 1303200 CPU: 3885.25, 0.00297917/step Wall: 3885.25, 0.00297917/step, 3.05928 hours remaining, 207.921875 MB of memory in use. ENERGY: 1303200 732.0294 2096.5690 1920.2291 119.3279 -206604.7033 17898.1254 0.0000 0.0000 34346.5854 -149491.8371 299.9573 -183838.4225 -149389.4179 298.8211 -88.1238 -60.6285 557895.3012 -5.5642 -5.4601 PRESSURE: 1303400 -55.549 -135.77 116.872 -135.769 -88.6544 -35.8808 116.872 -35.8794 -171.093 GPRESSURE: 1303400 -24.2788 -65.7205 38.234 -112.448 -16.8321 -1.26023 201.656 -70.947 -183.12 PRESSAVG: 1303400 14.7319 -43.368 38.6243 -43.368 -27.5508 16.5094 38.6244 16.5095 -3.64592 GPRESSAVG: 1303400 13.7665 -43.8168 36.8725 -39.8714 -26.3521 19.5896 38.7585 15.9404 -3.97573 TIMING: 1303400 CPU: 3885.85, 0.00298707/step Wall: 3885.85, 0.00298707/step, 3.06722 hours remaining, 207.921875 MB of memory in use. ENERGY: 1303400 770.9205 2065.8691 1935.3577 110.3622 -206393.2705 17846.2485 0.0000 0.0000 34284.0227 -149380.4898 299.4109 -183664.5125 -149285.2347 299.0889 -105.0989 -74.7435 556519.0620 -5.4883 -5.5204 PRESSURE: 1303600 85.6587 -65.3267 72.1005 -65.3264 133.477 7.32046 72.1011 7.32092 137.474 GPRESSURE: 1303600 156.366 -70.9413 -1.49304 -47.9331 139.955 50.9912 80.7265 64.5215 155.407 PRESSAVG: 1303600 36.875 -19.8962 27.7148 -19.8962 -35.8725 42.8702 27.7148 42.8702 -17.0987 GPRESSAVG: 1303600 38.2006 -18.2085 26.5013 -21.818 -36.4563 38.6006 28.2108 45.2103 -17.763 TIMING: 1303600 CPU: 3886.44, 0.00297784/step Wall: 3886.44, 0.00297784/step, 3.05758 hours remaining, 207.921875 MB of memory in use. ENERGY: 1303600 742.0265 2068.5574 1948.2646 110.1133 -206535.4620 17989.1993 0.0000 0.0000 34321.8506 -149355.4503 299.7413 -183677.3008 -149265.5660 299.7474 118.8699 150.5762 556434.4700 -5.3654 -5.3396 PRESSURE: 1303800 92.5968 -64.4152 -187.199 -64.4154 11.2405 15.4452 -187.198 15.4442 -331.734 GPRESSURE: 1303800 79.3047 -72.1905 -261.757 3.16855 68.3326 6.35473 -30.5744 77.804 -293.128 PRESSAVG: 1303800 68.0442 -22.3441 -13.6605 -22.3442 -28.8197 -14.4118 -13.6604 -14.4118 -38.2533 GPRESSAVG: 1303800 67.526 -23.9886 -9.99069 -20.9983 -28.9615 -14.672 -13.881 -13.9179 -37.1083 TIMING: 1303800 CPU: 3887.04, 0.00298241/step Wall: 3887.04, 0.00298241/step, 3.06211 hours remaining, 207.921875 MB of memory in use. ENERGY: 1303800 790.3052 2143.1941 1913.2806 122.7236 -206141.0759 17792.9747 0.0000 0.0000 34135.7410 -149242.8567 298.1159 -183378.5977 -149149.3267 299.4450 -75.9655 -48.4968 557850.4020 0.3238 0.4854 PRESSURE: 1304000 -184.557 18.3073 80.0083 18.3067 -294.774 -1.5026 80.0073 -1.50177 -230.433 GPRESSURE: 1304000 -132.94 -44.7192 77.5867 52.6781 -253.126 -12.9753 82.94 -47.2035 -220.556 PRESSAVG: 1304000 27.8618 12.1565 -34.2971 12.1564 11.0273 -21.3343 -34.297 -21.3344 -33.651 GPRESSAVG: 1304000 27.2299 14.5212 -36.6482 11.1883 10.1387 -16.9718 -33.2946 -26.2503 -32.1805 TIMING: 1304000 CPU: 3887.64, 0.00298802/step Wall: 3887.64, 0.00298802/step, 3.0677 hours remaining, 207.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1304000 748.4019 2070.7621 1941.8256 109.0946 -205996.4566 17541.3323 0.0000 0.0000 34317.7571 -149267.2829 299.7055 -183585.0400 -149173.1456 299.9227 -236.5879 -202.2075 557604.8935 1.7460 1.7294 PRESSURE: 1304200 69.7665 16.7453 -101.263 16.7451 239.673 148.339 -101.264 148.34 6.38376 GPRESSURE: 1304200 121.022 -23.2157 -86.3713 31.6433 211.243 160.242 -134.098 78.394 78.3437 PRESSAVG: 1304200 -17.2775 5.98572 -21.0088 5.98569 -9.85403 15.7769 -21.0089 15.7769 33.3249 GPRESSAVG: 1304200 -15.969 5.16336 -19.5379 6.54521 -9.11049 12.5142 -23.3728 18.3432 31.4668 TIMING: 1304200 CPU: 3888.23, 0.00298703/step Wall: 3888.23, 0.00298703/step, 3.06652 hours remaining, 207.921875 MB of memory in use. ENERGY: 1304200 730.0972 2094.4932 1927.0112 130.7558 -206275.7405 17932.0921 0.0000 0.0000 34314.0802 -149147.2109 299.6734 -183461.2911 -149053.1246 299.3449 105.2743 136.8695 556200.9782 2.0645 2.1291 LDB: ============= START OF LOAD BALANCING ============== 3891.78 LDB: ============== END OF LOAD BALANCING =============== 3891.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3891.78 LDB: ============= START OF LOAD BALANCING ============== 3892.08 LDB: Largest compute 4774 load 0.026849 is 22.7% of average load 0.118167 LDB: Average compute 0.001726 is 1.5% of average load 0.118167 LDB: TIME 3892.08 LOAD: AVG 0.118167 MAX 0.206995 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.668 MB LDB: TIME 3892.08 LOAD: AVG 0.118167 MAX 0.206995 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.668 MB LDB: TIME 3892.08 LOAD: AVG 0.118167 MAX 0.206995 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.668 MB LDB: ============== END OF LOAD BALANCING =============== 3892.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3892.09 PRESSURE: 1304400 -168.714 51.702 -15.8065 51.7019 32.1548 70.7419 -15.8064 70.7422 -105.159 GPRESSURE: 1304400 -114.192 69.5271 -58.8119 36.8481 21.7279 52.239 -97.0155 84.087 -48.2443 PRESSAVG: 1304400 -49.2699 -29.0442 29.8586 -29.0441 -10.8918 -47.1454 29.8586 -47.1454 35.2939 GPRESSAVG: 1304400 -49.121 -29.4152 31.0381 -28.9082 -11.5343 -47.5171 29.7938 -47.1264 35.6625 TIMING: 1304400 CPU: 3888.84, 0.00301402/step Wall: 3888.84, 0.00301402/step, 3.09406 hours remaining, 206.671875 MB of memory in use. ENERGY: 1304400 752.6569 2138.4831 1909.4854 101.8796 -206003.8808 17477.8351 0.0000 0.0000 34318.6911 -149304.8497 299.7137 -183623.5407 -149204.4235 299.6324 -80.5726 -46.9027 556247.9631 -8.2893 -8.3310 PRESSURE: 1304600 118.807 -18.4099 -15.319 -18.4099 78.95 -5.13539 -15.3199 -5.13442 74.534 GPRESSURE: 1304600 177.731 -21.9409 -10.9409 -51.2335 112.585 -11.4655 -35.9276 73.0813 82.2214 PRESSAVG: 1304600 18.9379 3.40259 -17.4435 3.40266 13.5287 -19.73 -17.4435 -19.73 -21.4384 GPRESSAVG: 1304600 19.3095 1.26392 -17.4629 2.0043 13.8594 -20.197 -16.4239 -18.4512 -22.1269 TIMING: 1304600 CPU: 3889.43, 0.00297727/step Wall: 3889.43, 0.00297727/step, 3.05617 hours remaining, 206.671875 MB of memory in use. ENERGY: 1304600 709.0674 2111.3992 1938.1822 102.2861 -206298.3869 17952.2732 0.0000 0.0000 34263.4327 -149221.7462 299.2311 -183485.1789 -149133.1016 300.3692 90.7638 124.1791 556093.6598 3.6761 3.6807 PRESSURE: 1304800 -78.8016 99.5636 107.639 99.5627 46.5439 -138.936 107.639 -138.937 -99.1808 GPRESSURE: 1304800 -75.8144 4.3204 149.833 62.2907 68.5554 -202.047 37.7398 -61.6923 -28.4749 PRESSAVG: 1304800 -39.8998 -49.7092 2.09412 -49.7091 30.5498 -40.2342 2.09417 -40.2342 -5.07256 GPRESSAVG: 1304800 -40.1853 -49.6621 -2.02866 -47.7355 30.8409 -41.2666 4.52348 -39.1223 -5.32098 TIMING: 1304800 CPU: 3890.03, 0.00301047/step Wall: 3890.03, 0.00301047/step, 3.09008 hours remaining, 206.671875 MB of memory in use. ENERGY: 1304800 781.3308 2070.8674 1929.7404 107.8357 -206304.3527 17885.8685 0.0000 0.0000 34236.8319 -149291.8782 298.9988 -183528.7101 -149199.3525 299.4415 -43.8128 -11.9113 557264.8900 -4.8075 -4.8884 PRESSURE: 1305000 75.1896 -196.499 -193.117 -196.499 37.7633 -31.3454 -193.118 -31.344 -22.0903 GPRESSURE: 1305000 53.0519 -162.278 -258.721 -277.204 125.984 -46.8022 -17.4624 0.0901985 4.42204 PRESSAVG: 1305000 -12.8526 -2.66032 -7.51851 -2.66027 40.063 -19.8235 -7.51848 -19.8235 -24.0339 GPRESSAVG: 1305000 -13.8595 -1.7466 -6.33282 -4.92753 40.4762 -16.284 -8.05508 -22.0646 -22.7656 TIMING: 1305000 CPU: 3890.63, 0.0029815/step Wall: 3890.63, 0.0029815/step, 3.06018 hours remaining, 206.671875 MB of memory in use. ENERGY: 1305000 726.9670 2083.8349 1945.7933 106.7951 -206283.4792 17826.1511 0.0000 0.0000 34290.8174 -149303.1204 299.4702 -183593.9378 -149211.4087 299.3260 30.2875 61.1528 556727.1265 1.0588 1.2837 PRESSURE: 1305200 28.9684 -20.8475 -106.612 -20.848 -201.868 -25.268 -106.612 -25.2664 -190.118 GPRESSURE: 1305200 39.1894 -120.069 -184.861 50.8734 -175.272 -66.7275 -62.5388 54.2707 -130.792 PRESSAVG: 1305200 18.2814 -16.3296 -22.6273 -16.3296 -39.7126 28.8031 -22.6273 28.803 1.07676 GPRESSAVG: 1305200 20.4812 -15.6537 -22.8861 -14.6024 -40.7018 27.366 -23.7377 27.863 -0.129727 TIMING: 1305200 CPU: 3891.22, 0.00296371/step Wall: 3891.22, 0.00296371/step, 3.04175 hours remaining, 206.671875 MB of memory in use. ENERGY: 1305200 724.5448 2035.6411 1940.0237 116.2137 -205948.8006 17696.4082 0.0000 0.0000 34183.3460 -149252.6232 298.5317 -183435.9692 -149153.0070 299.0597 -121.0057 -88.9581 557984.4547 -6.7848 -6.7834 PRESSURE: 1305400 -32.8078 -59.3359 -31.1564 -59.3374 -96.5406 -113.99 -31.156 -113.99 -97.7186 GPRESSURE: 1305400 6.35209 -145.903 -86.2751 15.1921 -60.6099 -135.826 -54.3531 -78.678 -70.637 PRESSAVG: 1305400 10.594 -54.1977 -43.9901 -54.1977 31.8428 -12.2653 -43.9901 -12.2653 29.4366 GPRESSAVG: 1305400 9.33068 -57.6254 -43.0658 -54.2998 32.018 -12.5778 -42.6465 -12.0642 29.9505 TIMING: 1305400 CPU: 3891.82, 0.00298494/step Wall: 3891.82, 0.00298494/step, 3.06337 hours remaining, 206.671875 MB of memory in use. ENERGY: 1305400 727.6731 2027.3194 1943.7005 99.1502 -205894.6103 17560.9237 0.0000 0.0000 34293.8399 -149242.0036 299.4966 -183535.8435 -149150.0594 299.6696 -75.6890 -41.6316 558041.3117 23.9578 23.7664 PRESSURE: 1305600 -147.521 83.6809 -29.8384 83.6805 45.4776 -139.87 -29.8379 -139.869 -347.797 GPRESSURE: 1305600 -128.904 75.4251 -74.3206 59.8768 53.6526 -143.108 9.41452 -115.995 -265.978 PRESSAVG: 1305600 61.4074 -48.3693 -68.0662 -48.3693 1.34358 3.67084 -68.0663 3.67085 -32.1744 GPRESSAVG: 1305600 61.7916 -45.2441 -68.6358 -50.8359 1.3955 3.4261 -69.3248 6.12541 -31.9462 TIMING: 1305600 CPU: 3892.41, 0.0029598/step Wall: 3892.41, 0.0029598/step, 3.03741 hours remaining, 206.671875 MB of memory in use. ENERGY: 1305600 729.6048 2068.7520 1941.0676 122.1067 -205773.5058 17502.1509 0.0000 0.0000 34183.0624 -149226.7614 298.5292 -183409.8238 -149126.6255 298.9646 -149.9467 -113.7431 558083.9086 10.1922 10.4136 PRESSURE: 1305800 75.5244 -112.107 31.4553 -112.108 230.051 22.187 31.4572 22.1862 -62.6629 GPRESSURE: 1305800 121.011 -159.248 -42.3575 -155.803 263.188 -67.7336 167.411 -13.1568 -51.669 PRESSAVG: 1305800 -59.267 -8.66325 -15.8326 -8.66325 13.9171 -54.7622 -15.8325 -54.7621 5.87923 GPRESSAVG: 1305800 -59.5171 -8.7965 -16.138 -6.52952 14.3393 -56.4668 -14.1101 -54.7799 5.33114 TIMING: 1305800 CPU: 3893, 0.00295936/step Wall: 3893, 0.00295936/step, 3.0368 hours remaining, 206.671875 MB of memory in use. ENERGY: 1305800 738.6803 2036.0420 1952.8728 115.8460 -206355.6865 17996.4603 0.0000 0.0000 34284.3871 -149231.3979 299.4141 -183515.7851 -149139.8655 299.3489 80.9709 110.8433 557246.5856 -13.1569 -13.2822 PRESSURE: 1306000 -220.602 25.4333 13.3891 25.4339 -7.64666 -17.2447 13.3885 -17.2438 0.362442 GPRESSURE: 1306000 -192.804 3.64979 -51.8351 8.28971 -3.60364 74.9177 17.8452 -66.0049 59.6816 PRESSAVG: 1306000 -40.5757 -59.0029 -8.15754 -59.0029 -5.67062 -54.5354 -8.15755 -54.5352 46.7214 GPRESSAVG: 1306000 -40.6778 -60.2188 -9.47598 -60.1615 -6.06968 -53.4204 -9.60175 -57.5208 46.7783 TIMING: 1306000 CPU: 3893.6, 0.00295625/step Wall: 3893.6, 0.00295625/step, 3.03344 hours remaining, 206.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1306000 703.5998 2059.5333 1929.6457 119.7762 -205865.3528 17837.6251 0.0000 0.0000 34103.4704 -149111.7025 297.8341 -183215.1728 -149007.4190 299.3870 -75.9621 -45.5755 558913.4374 0.1584 0.0103 PRESSURE: 1306200 -57.919 -41.9793 -150.309 -41.9802 -289.302 -120.007 -150.31 -120.005 -147.101 GPRESSURE: 1306200 -7.09693 29.4265 -75.0643 -52.2213 -271.203 -21.3867 -179.238 -25.8303 -122.588 PRESSAVG: 1306200 -36.7879 -17.6589 -73.3855 -17.6588 -15.0794 -3.10307 -73.3855 -3.10303 34.7249 GPRESSAVG: 1306200 -36.081 -16.0457 -70.9281 -17.1931 -15.7178 -2.08987 -74.8693 -1.53727 34.4865 TIMING: 1306200 CPU: 3894.19, 0.00296526/step Wall: 3894.19, 0.00296526/step, 3.04252 hours remaining, 206.671875 MB of memory in use. ENERGY: 1306200 734.1652 2052.5606 1937.4098 107.4065 -206004.6047 17590.0917 0.0000 0.0000 34173.4051 -149409.5658 298.4448 -183582.9709 -149307.5397 298.6419 -164.7737 -133.6295 558553.0616 -5.7142 -5.7708 PRESSURE: 1306400 6.14263 35.9943 84.532 35.9957 -156.94 -62.0202 84.5308 -62.0206 361.408 GPRESSURE: 1306400 25.2971 19.1015 67.3749 44.6599 -59.988 -54.7624 70.6866 -50.4311 337.972 PRESSAVG: 1306400 4.7462 -1.39411 34.9714 -1.39413 -12.3787 -26.5622 34.9714 -26.5623 10.6845 GPRESSAVG: 1306400 3.74572 -2.7325 33.9637 -3.05517 -11.8432 -26.2401 36.7756 -25.3139 10.5908 TIMING: 1306400 CPU: 3894.79, 0.00301343/step Wall: 3894.79, 0.00301343/step, 3.09178 hours remaining, 206.671875 MB of memory in use. ENERGY: 1306400 743.2506 2091.7900 1928.1298 105.3540 -206117.6501 17703.1126 0.0000 0.0000 34271.6931 -149274.3200 299.3032 -183546.0131 -149176.0719 299.1963 70.2035 101.0938 556876.0080 1.0173 0.8311 PRESSURE: 1306600 -85.6386 131.159 115.811 131.159 541.59 88.5278 115.811 88.5259 131.572 GPRESSURE: 1306600 -2.6104 180.997 46.3439 81.3406 562.68 77.99 139.82 182.015 115.826 PRESSAVG: 1306600 35.6359 33.9938 -4.37364 33.994 30.3163 -4.54365 -4.37359 -4.54363 -35.5776 GPRESSAVG: 1306600 35.6715 34.2114 -4.312 35.7463 29.9115 -3.17501 -2.89023 -5.78729 -35.7478 TIMING: 1306600 CPU: 3895.39, 0.00300287/step Wall: 3895.39, 0.00300287/step, 3.08078 hours remaining, 206.671875 MB of memory in use. ENERGY: 1306600 756.5585 2060.9678 1924.2593 106.0957 -206516.7313 18241.1954 0.0000 0.0000 34272.6511 -149155.0035 299.3116 -183427.6546 -149055.2257 299.5167 195.8412 225.2986 557636.6604 10.1249 9.9451 PRESSURE: 1306800 104.999 94.0765 -18.6902 94.0769 58.7681 1.41855 -18.6895 1.41887 -117.906 GPRESSURE: 1306800 133.315 91.3095 1.73462 144.855 77.0033 -23.3729 24.1186 26.2752 -74.4213 PRESSAVG: 1306800 44.4603 35.0851 38.1827 35.0851 -50.8383 26.2914 38.1827 26.2912 36.2993 GPRESSAVG: 1306800 44.6372 33.664 37.4439 35.9471 -50.3259 24.1294 37.2584 27.4904 35.9886 TIMING: 1306800 CPU: 3895.99, 0.00298066/step Wall: 3895.99, 0.00298066/step, 3.05783 hours remaining, 206.671875 MB of memory in use. ENERGY: 1306800 762.1953 2028.9197 1926.9073 104.0385 -206226.1108 17779.3046 0.0000 0.0000 34428.5270 -149196.2184 300.6729 -183624.7454 -149095.3715 299.7749 15.2871 45.2989 557832.1275 9.9738 10.1000 PRESSURE: 1307000 -15.897 -38.2088 -216.437 -38.2079 -0.0394653 140.576 -216.437 140.577 -142.894 GPRESSURE: 1307000 -23.6558 -44.8217 -239.832 6.82466 42.9577 58.0447 -190.811 92.9135 -84.1784 PRESSAVG: 1307000 40.9797 31.1681 12.8723 31.168 -33.9274 19.3679 12.8724 19.3679 -14.1903 GPRESSAVG: 1307000 40.8441 30.8291 13.204 29.7242 -34.9928 20.2205 12.4357 18.6647 -13.5972 TIMING: 1307000 CPU: 3896.59, 0.00302385/step Wall: 3896.59, 0.00302385/step, 3.10196 hours remaining, 206.671875 MB of memory in use. ENERGY: 1307000 719.8641 2123.5043 1948.4797 105.7662 -206178.6359 17820.0215 0.0000 0.0000 34270.3580 -149190.6422 299.2916 -183461.0002 -149092.7302 299.2060 -52.9436 -21.6255 558219.5626 -2.3793 -2.5820 PRESSURE: 1307200 189.997 -139.986 15.7943 -139.986 197.287 -30.5433 15.7921 -30.5429 -153.958 GPRESSURE: 1307200 164.962 -15.8625 -46.6177 -268.363 260.802 -126.298 -39.0429 -11.9193 -95.1451 PRESSAVG: 1307200 66.2233 42.201 9.56907 42.201 61.5224 -6.30652 9.56918 -6.30647 -107.47 GPRESSAVG: 1307200 66.8932 43.1348 11.6304 41.699 61.1983 -7.81564 8.624 -5.84594 -107.505 TIMING: 1307200 CPU: 3897.19, 0.00300281/step Wall: 3897.19, 0.00300281/step, 3.08021 hours remaining, 206.671875 MB of memory in use. ENERGY: 1307200 731.8378 2054.6930 1926.0117 112.9172 -206279.5039 17906.0320 0.0000 0.0000 34413.4131 -149134.5992 300.5409 -183548.0122 -149040.2079 299.6326 77.7753 110.2062 557593.1351 6.7586 6.8620 PRESSURE: 1307400 119.975 141.267 -69.9211 141.269 -268.585 -192.303 -69.9213 -192.304 189.583 GPRESSURE: 1307400 94.1634 79.483 -33.6221 143.55 -169.205 -208.424 -73.912 -58.0465 230.11 PRESSAVG: 1307400 65.2988 51.9677 17.0095 51.9678 -23.1649 -11.4603 17.0095 -11.4603 -33.2824 GPRESSAVG: 1307400 63.814 51.767 15.2128 53.0512 -21.9075 -10.2694 19.2048 -12.834 -33.6319 TIMING: 1307400 CPU: 3897.8, 0.00301863/step Wall: 3897.8, 0.00301863/step, 3.09627 hours remaining, 206.671875 MB of memory in use. ENERGY: 1307400 729.3928 2087.8574 1932.4473 111.6389 -206168.6795 17876.4379 0.0000 0.0000 34392.6106 -149038.2946 300.3592 -183430.9052 -148942.2303 299.4231 13.6574 51.6895 558056.8912 2.9505 2.7582 PRESSURE: 1307600 -318.194 16.581 -55.1058 16.5803 -404.429 -135.406 -55.1059 -135.407 -378.432 GPRESSURE: 1307600 -329.347 40.7306 -81.3528 23.7519 -294.976 -157.362 -45.3607 -77.4864 -376.968 PRESSAVG: 1307600 36.4923 18.4771 -11.2741 18.477 -3.12723 -10.2357 -11.2741 -10.2356 7.89102 GPRESSAVG: 1307600 36.9814 18.2834 -12.0768 19.6339 -3.71899 -10.9174 -12.3334 -8.25176 7.83751 TIMING: 1307600 CPU: 3898.41, 0.00304566/step Wall: 3898.41, 0.00304566/step, 3.12383 hours remaining, 206.671875 MB of memory in use. ENERGY: 1307600 780.2800 2046.3064 1944.9635 108.0340 -205658.6029 17394.2277 0.0000 0.0000 34261.6466 -149123.1446 299.2155 -183384.7913 -149024.7157 299.9905 -367.0183 -333.7636 559622.6253 13.7520 13.7000 PRESSURE: 1307800 -244.055 -55.1167 -25.2683 -55.117 86.8376 50.4569 -25.2683 50.4595 -100.633 GPRESSURE: 1307800 -163.041 22.2766 6.9611 -166.603 116.449 74.3334 -94.6177 56.636 -118.665 PRESSAVG: 1307800 -21.8799 43.7338 63.1963 43.7338 49.6277 -52.6078 63.1962 -52.6078 -2.92711 GPRESSAVG: 1307800 -21.4078 43.9445 64.9482 42.7161 49.4854 -50.6407 61.7674 -54.412 -2.65974 TIMING: 1307800 CPU: 3899.02, 0.00304862/step Wall: 3899.02, 0.00304862/step, 3.1267 hours remaining, 206.671875 MB of memory in use. ENERGY: 1307800 762.4536 2079.7213 1912.0907 100.9066 -206194.3708 17814.6806 0.0000 0.0000 34216.4401 -149308.0779 298.8207 -183524.5180 -149207.8056 299.5020 -85.9500 -55.0859 558456.3373 8.2736 8.4726 PRESSURE: 1308000 159.002 -100.431 -154.172 -100.43 161.546 -225.965 -154.172 -225.967 -418.089 GPRESSURE: 1308000 200.945 -53.5257 -208.092 -112.555 159.483 -208.891 -147.895 -150.184 -364.883 PRESSAVG: 1308000 -6.59456 7.70952 8.04921 7.70957 51.9269 -9.56228 8.04921 -9.56235 -100.632 GPRESSAVG: 1308000 -6.31263 7.6769 8.24946 7.56407 52.1352 -9.91744 9.05098 -9.29093 -100.985 TIMING: 1308000 CPU: 3899.63, 0.00305576/step Wall: 3899.63, 0.00305576/step, 3.13385 hours remaining, 206.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1308000 733.2579 2021.8478 1931.7017 107.2517 -205927.5547 17434.8809 0.0000 0.0000 34236.2799 -149462.3350 298.9939 -183698.6149 -149362.6268 299.1078 -32.5137 -1.4850 556811.6652 -18.4332 -18.3873 PRESSURE: 1308200 88.2357 -71.7268 120.487 -71.7281 153.01 3.38795 120.487 3.389 128.84 GPRESSURE: 1308200 106.171 -41.6721 96.4523 -57.829 180.57 -119.856 203.246 -35.67 179.858 PRESSAVG: 1308200 44.6887 -18.6909 11.2138 -18.6909 43.9714 8.9397 11.2139 8.93977 -52.3344 GPRESSAVG: 1308200 44.3194 -19.3699 10.6676 -18.3186 43.8377 7.27512 12.72 11.1884 -51.6689 TIMING: 1308200 CPU: 3900.25, 0.00309511/step Wall: 3900.25, 0.00309511/step, 3.17404 hours remaining, 206.671875 MB of memory in use. ENERGY: 1308200 715.0514 2093.8186 1900.4080 117.8158 -206276.0756 17657.7230 0.0000 0.0000 34224.6355 -149566.6233 298.8923 -183791.2588 -149470.5030 298.5802 123.3621 155.5330 555170.5168 12.1086 12.1627 LDB: ============= START OF LOAD BALANCING ============== 3903.8 LDB: ============== END OF LOAD BALANCING =============== 3903.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3903.8 LDB: ============= START OF LOAD BALANCING ============== 3904.1 LDB: Largest compute 4796 load 0.027112 is 22.9% of average load 0.118254 LDB: Average compute 0.001717 is 1.5% of average load 0.118254 LDB: TIME 3904.1 LOAD: AVG 0.118254 MAX 0.21129 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 3904.1 LOAD: AVG 0.118254 MAX 0.21129 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.199 MB LDB: TIME 3904.1 LOAD: AVG 0.118254 MAX 0.21129 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.199 MB LDB: ============== END OF LOAD BALANCING =============== 3904.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3904.11 PRESSURE: 1308400 151.426 -183.537 -41.8832 -183.538 68.2248 -92.8776 -41.8836 -92.8784 34.9012 GPRESSURE: 1308400 189.429 -191.661 -21.2971 -158.777 91.9493 -92.4619 -62.9821 -107.585 72.6169 PRESSAVG: 1308400 9.37949 -20.2738 -14.2487 -20.2738 24.5933 -5.85744 -14.2487 -5.85756 -64.6003 GPRESSAVG: 1308400 10.3977 -22.1661 -13.1678 -18.8367 23.1597 -4.81859 -16.9244 -7.85653 -65.1514 TIMING: 1308400 CPU: 3900.86, 0.00307008/step Wall: 3900.86, 0.00307008/step, 3.1482 hours remaining, 206.199219 MB of memory in use. ENERGY: 1308400 750.5263 2034.2224 1939.6763 111.3483 -206406.6127 17843.2497 0.0000 0.0000 34041.0168 -149686.5729 297.2887 -183727.5897 -149590.6710 298.3871 84.8505 117.9985 555613.1521 -10.2092 -10.5313 PRESSURE: 1308600 -287.275 149.647 -1.92314 149.648 -82.6784 -34.0264 -1.92243 -34.0256 -91.2308 GPRESSURE: 1308600 -299.523 146.835 23.6923 132.296 -34.8597 -44.8878 -120.037 -40.1048 -32.6659 PRESSAVG: 1308600 50.2879 44.1103 -27.6774 44.1103 -29.0937 -16.8856 -27.6774 -16.8855 45.9302 GPRESSAVG: 1308600 49.6147 44.2587 -29.029 42.2712 -27.2842 -15.8994 -26.8298 -16.5373 45.0393 TIMING: 1308600 CPU: 3901.46, 0.00299778/step Wall: 3901.46, 0.00299778/step, 3.07389 hours remaining, 206.199219 MB of memory in use. ENERGY: 1308600 744.9700 2056.3074 1910.4734 106.1750 -206437.9343 17639.7723 0.0000 0.0000 34362.4451 -149617.7911 300.0958 -183980.2362 -149525.3482 297.8436 -153.7281 -122.3496 556394.3425 22.3748 22.4566 PRESSURE: 1308800 -69.4384 -66.1109 64.3839 -66.11 -201.285 -127.051 64.3827 -127.051 42.2147 GPRESSURE: 1308800 -83.0844 -62.3606 -6.37158 -111.599 -173.553 -116.498 158.098 -167.858 118.487 PRESSAVG: 1308800 -22.1601 27.6646 47.535 27.6646 11.6943 -71.3509 47.535 -71.3511 16.3174 GPRESSAVG: 1308800 -21.7623 27.8551 49.3908 29.6341 11.4605 -71.4648 47.7387 -72.1112 15.9784 TIMING: 1308800 CPU: 3902.05, 0.00297391/step Wall: 3902.05, 0.00297391/step, 3.04925 hours remaining, 206.199219 MB of memory in use. ENERGY: 1308800 785.7932 2068.7952 1918.1305 115.7149 -206320.5374 17774.5784 0.0000 0.0000 33935.4888 -149722.0363 296.3671 -183657.5251 -149633.7648 298.0505 -76.1696 -46.0502 557660.7893 1.9506 1.8922 PRESSURE: 1309000 -159.289 -111.43 34.2379 -111.429 -78.1677 37.0011 34.2375 37.001 -140.135 GPRESSURE: 1309000 -129.863 -56.066 143.341 -21.7926 -72.7485 75.3739 -13.2495 15.377 -78.8743 PRESSAVG: 1309000 -21.3394 2.80494 -14.4614 2.805 26.9194 -61.7142 -14.4614 -61.7143 22.4523 GPRESSAVG: 1309000 -21.4836 5.56391 -15.7323 1.61204 26.5397 -61.3843 -13.1014 -61.9984 23.0788 TIMING: 1309000 CPU: 3902.65, 0.00298015/step Wall: 3902.65, 0.00298015/step, 3.05548 hours remaining, 206.199219 MB of memory in use. ENERGY: 1309000 775.0742 2106.0438 1921.9872 105.5939 -206454.5762 17801.6796 0.0000 0.0000 34142.0164 -149602.1811 298.1707 -183744.1975 -149507.0027 298.1733 -125.8638 -93.8285 557203.4346 9.3441 9.3783 PRESSURE: 1309200 -31.4637 -44.4654 18.5711 -44.4649 -113.09 -55.361 18.5712 -55.3617 -132.755 GPRESSURE: 1309200 28.2134 2.74858 32.3634 -102.806 -96.8081 -126.559 -12.7418 -60.4791 -128.761 PRESSAVG: 1309200 12.6012 -24.3048 27.115 -24.3047 -81.6635 -54.5683 27.1149 -54.5682 23.8881 GPRESSAVG: 1309200 12.9998 -25.6968 25.1746 -24.0976 -81.9147 -55.4437 28.1564 -53.4433 23.8613 TIMING: 1309200 CPU: 3903.25, 0.00299097/step Wall: 3903.25, 0.00299097/step, 3.06641 hours remaining, 206.199219 MB of memory in use. ENERGY: 1309200 766.8098 2102.6937 1918.4597 112.9583 -206477.8677 17824.4558 0.0000 0.0000 34218.8994 -149533.5910 298.8422 -183752.4904 -149438.4148 298.4874 -92.4363 -65.7852 557696.0756 -15.0581 -15.0179 PRESSURE: 1309400 115.696 -44.0841 -81.5083 -44.0851 43.7407 124.276 -81.5082 124.277 5.05242 GPRESSURE: 1309400 182.743 -110.848 -112.615 -27.2161 34.9438 66.2291 -112.311 180.703 44.3146 PRESSAVG: 1309400 56.8428 45.6323 2.61443 45.6323 -85.4004 -24.0796 2.61441 -24.0795 29.5926 GPRESSAVG: 1309400 58.4554 45.8488 4.86649 44.4928 -85.9274 -25.5809 1.08342 -23.667 28.6078 TIMING: 1309400 CPU: 3903.85, 0.00299755/step Wall: 3903.85, 0.00299755/step, 3.07299 hours remaining, 206.199219 MB of memory in use. ENERGY: 1309400 802.1012 2050.8684 1920.6874 107.5519 -206525.1430 17936.5117 0.0000 0.0000 34163.7085 -149543.7139 298.3602 -183707.4224 -149447.5639 298.7290 54.8298 87.3338 556997.5958 0.3450 0.3786 PRESSURE: 1309600 42.2613 9.62038 -160.788 9.62091 -203.889 18.3763 -160.787 18.375 35.0607 GPRESSURE: 1309600 90.1601 2.49175 -188.561 26.1648 -195.346 -0.0670918 -171.425 -6.21395 89.427 PRESSAVG: 1309600 84.218 -18.4669 -5.23952 -18.4669 -11.2572 59.0323 -5.23938 59.0322 -27.5225 GPRESSAVG: 1309600 83.7234 -20.1846 -4.45897 -17.6216 -11.1522 61.5516 -6.48361 59.6662 -26.5436 TIMING: 1309600 CPU: 3904.45, 0.00300465/step Wall: 3904.45, 0.00300465/step, 3.0801 hours remaining, 206.199219 MB of memory in use. ENERGY: 1309600 708.4397 2087.2590 1917.7349 108.7300 -206336.9501 17802.2949 0.0000 0.0000 34317.4830 -149395.0087 299.7031 -183712.4917 -149301.4793 299.3335 -42.1892 -5.2531 557416.4741 15.1461 15.3425 PRESSURE: 1309800 -286.406 14.6656 -30.3941 14.6661 -308.931 103.163 -30.3928 103.164 -332.011 GPRESSURE: 1309800 -253.402 -12.3793 -48.4393 50.0407 -270.788 80.0767 -106.615 60.8849 -302.902 PRESSAVG: 1309800 17.6175 48.2408 14.6184 48.2408 47.3933 8.13782 14.6183 8.13791 -91.286 GPRESSAVG: 1309800 17.9068 50.0232 13.3929 48.6023 47.8631 7.74623 16.3659 7.24867 -92.024 TIMING: 1309800 CPU: 3905.05, 0.00300158/step Wall: 3905.05, 0.00300158/step, 3.07678 hours remaining, 206.199219 MB of memory in use. ENERGY: 1309800 761.4708 2036.0772 1944.5752 121.1576 -205832.9758 17435.1657 0.0000 0.0000 34009.9932 -149524.5359 297.0177 -183534.5292 -149435.4849 298.4387 -309.1158 -275.6972 557853.0116 -8.7584 -8.7514 PRESSURE: 1310000 -129.467 -54.5759 -216.988 -54.5756 220.676 -131.944 -216.989 -131.945 -157.648 GPRESSURE: 1310000 -111.145 -94.5416 -192.099 -91.662 213.579 -145.614 -146.234 -179.301 -85.5069 PRESSAVG: 1310000 -44.7875 17.7471 -0.197619 17.7472 8.77488 -24.9254 -0.197521 -24.9255 -20.271 GPRESSAVG: 1310000 -45.8176 19.1128 -0.0960821 17.3588 8.50382 -26.4285 0.218365 -25.8385 -19.059 TIMING: 1310000 CPU: 3905.65, 0.00301055/step Wall: 3905.65, 0.00301055/step, 3.08581 hours remaining, 206.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1310000 718.5527 2081.9416 1929.4898 111.7277 -206151.7417 17631.6878 0.0000 0.0000 34145.9981 -149532.3440 298.2055 -183678.3421 -149435.9940 298.1126 -22.1461 5.6424 556646.7137 -18.7612 -18.7909 PRESSURE: 1310200 -323.15 -31.325 -40.2714 -31.3251 -115.249 12.9738 -40.2715 12.9733 89.515 GPRESSURE: 1310200 -287.867 14.2055 -43.8219 -60.2269 -66.4942 62.1181 -113.95 -4.39481 100.727 PRESSAVG: 1310200 -10.9571 17.8176 -10.3718 17.8175 -3.44272 -53.2156 -10.3719 -53.2156 32.0621 GPRESSAVG: 1310200 -11.2205 18.2167 -12.1799 16.0601 -2.32971 -51.8887 -10.2554 -52.1562 31.088 TIMING: 1310200 CPU: 3906.25, 0.00299534/step Wall: 3906.25, 0.00299534/step, 3.07006 hours remaining, 206.199219 MB of memory in use. ENERGY: 1310200 740.1379 2132.5012 1916.5408 115.0776 -206018.2217 17605.3887 0.0000 0.0000 33863.0147 -149645.5608 295.7341 -183508.5755 -149548.5779 298.2904 -116.2944 -84.5449 557733.2703 5.8874 5.8459 PRESSURE: 1310400 -62.3666 -10.7749 -151.879 -10.7752 74.5068 -143.835 -151.879 -143.835 15.4864 GPRESSURE: 1310400 -59.9723 -48.898 -118.217 16.7788 152.648 -96.4224 -113.213 -126.369 28.6833 PRESSAVG: 1310400 2.02738 3.55062 -34.5232 3.55065 -0.624689 -100.115 -34.5232 -100.115 2.34274 GPRESSAVG: 1310400 2.58038 2.17171 -34.2522 4.49049 -1.39289 -100.622 -36.3742 -100.071 2.7147 TIMING: 1310400 CPU: 3906.85, 0.00301981/step Wall: 3906.85, 0.00301981/step, 3.09497 hours remaining, 206.199219 MB of memory in use. ENERGY: 1310400 737.8999 2105.0408 1944.0821 109.9465 -206618.6038 17916.6463 0.0000 0.0000 34130.8463 -149674.1421 298.0732 -183804.9884 -149579.9902 298.1693 9.2089 40.4529 555692.6327 1.2485 1.3007 PRESSURE: 1310600 245.408 -107.173 8.47169 -107.172 126.969 -36.605 8.47097 -36.6057 128.965 GPRESSURE: 1310600 245.747 -15.6355 59.8927 -69.3806 161.447 -130.807 36.8804 11.539 184.685 PRESSAVG: 1310600 19.0978 -4.64336 -3.08304 -4.64334 26.29 15.1258 -3.08301 15.1257 -44.8404 GPRESSAVG: 1310600 17.8361 -2.29589 -0.975768 -5.82015 26.4108 14.8472 -4.43543 17.3751 -43.8987 TIMING: 1310600 CPU: 3907.46, 0.00300543/step Wall: 3907.46, 0.00300543/step, 3.08006 hours remaining, 206.199219 MB of memory in use. ENERGY: 1310600 732.3529 2078.1137 1933.2273 118.2593 -206792.3254 18074.1344 0.0000 0.0000 34220.7504 -149635.4874 298.8583 -183856.2379 -149540.9023 298.1311 167.1140 197.2928 555314.6600 0.1825 0.1160 PRESSURE: 1310800 56.1189 125.923 14.0605 125.923 -262.563 -77.1681 14.0593 -77.1685 -10.5576 GPRESSURE: 1310800 97.8051 134.911 -0.862701 154.738 -268.169 -88.8022 27.6306 -42.9977 42.0345 PRESSAVG: 1310800 2.41817 33.0239 -10.1471 33.024 -32.2052 51.9497 -10.1472 51.9497 0.719074 GPRESSAVG: 1310800 4.14696 31.3851 -12.0625 33.9956 -32.1757 52.516 -7.24739 50.2067 -0.734949 TIMING: 1310800 CPU: 3908.05, 0.00299514/step Wall: 3908.05, 0.00299514/step, 3.06935 hours remaining, 206.199219 MB of memory in use. ENERGY: 1310800 702.9677 2121.8975 1945.0431 120.7981 -206049.9609 17543.8953 0.0000 0.0000 34063.4256 -149551.9335 297.4844 -183615.3590 -149451.5705 298.4430 -72.3338 -42.7764 556916.2041 -9.6893 -9.5879 PRESSURE: 1311000 167.746 -75.8127 -0.908285 -75.8119 132.117 -73.1738 -0.906913 -73.1747 145.592 GPRESSURE: 1311000 206.692 -87.2755 65.1879 -69.6258 160.242 -114.576 -59.2365 -81.4853 167.176 PRESSAVG: 1311000 18.652 -3.11977 -8.8852 -3.11993 -33.2161 6.29824 -8.88522 6.29823 31.9684 GPRESSAVG: 1311000 19.2145 -3.10016 -8.65053 -2.87357 -32.4861 2.28584 -10.7415 9.62875 31.0172 TIMING: 1311000 CPU: 3908.65, 0.00299996/step Wall: 3908.65, 0.00299996/step, 3.07413 hours remaining, 206.199219 MB of memory in use. ENERGY: 1311000 735.6376 2102.8387 1934.9336 111.9925 -206696.6531 18035.1773 0.0000 0.0000 34267.5919 -149508.4815 299.2674 -183776.0734 -149404.5390 298.8444 148.4852 178.0366 556561.8244 5.8015 5.9152 PRESSURE: 1311200 -138.884 -110.982 -87.9444 -110.983 -227.37 -25.662 -87.9441 -25.6618 -2.36753 GPRESSURE: 1311200 -115.583 -114.334 -83.719 -107.58 -215.604 65.5544 -100.76 -85.5313 49.9585 PRESSAVG: 1311200 -49.9575 -13.5806 -54.0618 -13.5806 45.386 -14.2325 -54.0617 -14.2327 -18.3653 GPRESSAVG: 1311200 -51.1827 -14.2162 -53.0901 -14.1945 45.6448 -8.85391 -53.9004 -17.6671 -17.2067 TIMING: 1311200 CPU: 3909.26, 0.00300719/step Wall: 3909.26, 0.00300719/step, 3.08136 hours remaining, 206.199219 MB of memory in use. ENERGY: 1311200 752.9750 2071.3613 1958.6660 114.0349 -206247.6944 17657.6128 0.0000 0.0000 34205.6615 -149487.3830 298.7265 -183693.0445 -149392.3518 299.1117 -122.8737 -93.7428 556527.3105 -7.6456 -7.5815 PRESSURE: 1311400 -31.2323 -20.882 -58.5691 -20.8831 128.254 -171.852 -58.5681 -171.852 -97.4652 GPRESSURE: 1311400 18.9573 -47.7202 1.08166 -30.2499 151.777 -160.972 -35.7247 -179.641 -77.6901 PRESSAVG: 1311400 -22.3894 5.53996 3.57868 5.53988 7.71218 33.373 3.57871 33.373 7.40908 GPRESSAVG: 1311400 -21.4426 7.0667 1.06507 4.91607 7.84763 33.0966 5.77907 35.4636 6.72423 TIMING: 1311400 CPU: 3909.86, 0.0029979/step Wall: 3909.86, 0.0029979/step, 3.07169 hours remaining, 206.199219 MB of memory in use. ENERGY: 1311400 760.4622 2014.1522 1952.4122 112.3667 -206260.6683 17779.5201 0.0000 0.0000 34147.4166 -149494.3385 298.2179 -183641.7551 -149395.7170 298.6322 -0.1478 31.0146 557314.4209 -2.4227 -2.2903 PRESSURE: 1311600 91.2503 203.442 -54.8839 203.441 -178.687 194.523 -54.8846 194.521 7.98348 GPRESSURE: 1311600 101.775 97.2431 -67.1616 263.552 -141.318 170.521 -125.291 122.916 41.9279 PRESSAVG: 1311600 45.5459 6.92007 15.915 6.92008 -13.3734 29.9934 15.915 29.9935 -10.0544 GPRESSAVG: 1311600 45.237 6.34178 18.4828 9.02003 -13.8506 27.7347 12.1328 29.3423 -9.54084 TIMING: 1311600 CPU: 3910.45, 0.00297967/step Wall: 3910.45, 0.00297967/step, 3.05284 hours remaining, 206.199219 MB of memory in use. ENERGY: 1311600 777.9059 2090.6351 1928.2511 117.9676 -206558.8953 17885.7343 0.0000 0.0000 34272.1531 -149486.2482 299.3072 -183758.4013 -149385.4640 298.0542 -26.4845 0.7947 557712.9242 7.3727 7.2819 PRESSURE: 1311800 -182.352 -48.9568 -132.595 -48.9571 -57.7769 -8.26764 -132.595 -8.26806 -86.6173 GPRESSURE: 1311800 -153.994 -66.8016 -79.1908 -88.6672 -51.961 3.0628 -179.92 -16.0664 -41.417 PRESSAVG: 1311800 11.8488 76.3661 8.355 76.3661 -47.7349 -66.8165 8.35495 -66.8165 36.5346 GPRESSAVG: 1311800 11.0942 76.0725 7.21606 75.2012 -46.8262 -66.5063 12.4279 -67.0315 36.3391 TIMING: 1311800 CPU: 3911.05, 0.00300858/step Wall: 3911.05, 0.00300858/step, 3.08229 hours remaining, 206.199219 MB of memory in use. ENERGY: 1311800 748.3551 2082.5130 1943.2916 110.1655 -206403.9905 17727.9289 0.0000 0.0000 34229.4847 -149562.2515 298.9346 -183791.7362 -149472.8152 298.1390 -108.9153 -82.4572 557465.0289 0.2162 0.2024 PRESSURE: 1312000 -174.256 128.632 35.2991 128.633 13.4895 -9.32937 35.2993 -9.32912 151.689 GPRESSURE: 1312000 -92.5988 102.019 79.6806 156.474 37.1531 -3.97694 33.1484 -45.0843 127.194 PRESSAVG: 1312000 -18.1329 17.4514 20.1545 17.4513 58.8474 25.0995 20.1544 25.0997 -74.3647 GPRESSAVG: 1312000 -17.4106 17.0643 21.0967 18.7382 57.8186 24.5834 18.9542 24.348 -74.2781 TIMING: 1312000 CPU: 3911.65, 0.00300681/step Wall: 3911.65, 0.00300681/step, 3.08031 hours remaining, 206.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1312000 735.1122 2038.3104 1943.0343 112.8484 -206386.1050 17890.8506 0.0000 0.0000 34020.5341 -149645.4149 297.1098 -183665.9491 -149547.6505 298.5152 -3.0258 23.9159 558210.8718 -11.2168 -11.2900 PRESSURE: 1312200 179.215 173.971 -95.2393 173.971 -44.3462 -14.9544 -95.2387 -14.9538 104.887 GPRESSURE: 1312200 219.362 184.928 -139.907 114.927 -19.6376 -38.1792 -45.475 -5.86797 142.978 PRESSAVG: 1312200 27.5334 32.5819 31.5882 32.5819 -17.9795 -36.1812 31.5882 -36.1811 -0.0742003 GPRESSAVG: 1312200 26.4885 35.1235 31.4588 29.6693 -16.6995 -35.0336 30.857 -37.3735 -0.602468 TIMING: 1312200 CPU: 3912.25, 0.00299481/step Wall: 3912.25, 0.00299481/step, 3.06785 hours remaining, 206.199219 MB of memory in use. ENERGY: 1312200 752.7862 2026.9873 1946.8907 97.6278 -206704.1179 18011.3426 0.0000 0.0000 34092.3810 -149776.1022 297.7372 -183868.4831 -149669.4201 297.8190 79.9189 114.2343 554482.9815 3.1599 3.0622 LDB: ============= START OF LOAD BALANCING ============== 3915.8 LDB: ============== END OF LOAD BALANCING =============== 3915.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3915.8 LDB: ============= START OF LOAD BALANCING ============== 3916.1 LDB: Largest compute 4796 load 0.027848 is 23.6% of average load 0.118199 LDB: Average compute 0.001717 is 1.5% of average load 0.118199 LDB: TIME 3916.11 LOAD: AVG 0.118199 MAX 0.212844 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 3916.11 LOAD: AVG 0.118199 MAX 0.212844 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: TIME 3916.11 LOAD: AVG 0.118199 MAX 0.212844 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3916.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3916.11 PRESSURE: 1312400 33.7158 -12.6585 144.934 -12.6583 4.55884 85.4477 144.935 85.4466 10.2846 GPRESSURE: 1312400 22.0831 27.882 195.059 35.2442 28.7827 99.1884 10.5736 137.6 97.8334 PRESSAVG: 1312400 -78.1054 30.8697 -22.2637 30.8698 23.0428 -10.3046 -22.2636 -10.3047 18.3249 GPRESSAVG: 1312400 -78.061 28.1154 -21.9135 33.2761 22.671 -11.0001 -22.5922 -9.31672 18.7864 TIMING: 1312400 CPU: 3912.86, 0.00304626/step Wall: 3912.86, 0.00304626/step, 3.12039 hours remaining, 207.222656 MB of memory in use. ENERGY: 1312400 783.6495 2070.8946 1954.9982 117.2560 -206347.4168 17849.7690 0.0000 0.0000 34072.0178 -149498.8317 297.5594 -183570.8495 -149402.2741 297.4929 16.1864 49.5664 556936.7057 -12.2459 -12.2012 PRESSURE: 1312600 -149.972 1.75007 133.421 1.74871 4.38073 -108.072 133.421 -108.072 15.3307 GPRESSURE: 1312600 -69.4882 12.3765 234.145 -60.4553 29.0288 -69.4658 95.0953 -9.0281 13.8448 PRESSAVG: 1312600 -25.842 -33.314 13.7648 -33.314 47.7444 29.3437 13.7648 29.3438 -17.9244 GPRESSAVG: 1312600 -24.7596 -33.4676 14.0599 -32.3068 48.1457 27.0406 15.2445 29.8681 -18.9966 TIMING: 1312600 CPU: 3913.46, 0.00298607/step Wall: 3913.46, 0.00298607/step, 3.05857 hours remaining, 207.222656 MB of memory in use. ENERGY: 1312600 761.9305 2036.6930 1961.2102 107.3341 -206152.0638 17831.2915 0.0000 0.0000 33874.2293 -149579.3752 295.8321 -183453.6045 -149484.4229 298.0869 -43.4203 -8.8715 559475.7042 1.3260 1.4632 PRESSURE: 1312800 -158.578 33.5382 -86.6222 33.539 -165.244 157.839 -86.6213 157.839 -144.484 GPRESSURE: 1312800 -83.3869 118.18 -78.2631 8.29382 -168.425 187.038 -66.2894 84.5917 -119.919 PRESSAVG: 1312800 -46.2006 -19.3229 34.4896 -19.3229 -8.23896 68.8701 34.4896 68.87 -5.92688 GPRESSAVG: 1312800 -45.1066 -16.6371 32.6404 -21.0651 -10.2177 71.6635 32.9515 69.5562 -4.7909 TIMING: 1312800 CPU: 3914.06, 0.00301789/step Wall: 3914.06, 0.00301789/step, 3.09099 hours remaining, 207.222656 MB of memory in use. ENERGY: 1312800 743.7024 2087.6310 1928.2810 110.4304 -206148.2375 17624.6766 0.0000 0.0000 33925.6988 -149727.8172 296.2816 -183653.5160 -149627.6355 297.4285 -156.1019 -123.9103 558034.6849 -20.1222 -20.0384 PRESSURE: 1313000 -11.8023 24.0678 -201.215 24.0677 209.037 70.958 -201.216 70.9601 -42.81 GPRESSURE: 1313000 34.8331 -26.2846 -203.757 -51.1512 253.271 56.0845 -196.248 167.304 -41.597 PRESSAVG: 1313000 -3.48231 -11.9313 -26.4905 -11.9313 -42.0885 43.032 -26.4905 43.0321 23.0989 GPRESSAVG: 1313000 -4.88711 -13.7805 -28.7301 -11.4765 -40.0151 42.5209 -25.5628 41.3834 22.8885 TIMING: 1313000 CPU: 3914.66, 0.00298687/step Wall: 3914.66, 0.00298687/step, 3.05906 hours remaining, 207.222656 MB of memory in use. ENERGY: 1313000 761.1603 2086.9246 1935.1683 101.6608 -206694.2104 18030.5435 0.0000 0.0000 34361.2129 -149417.5398 300.0850 -183778.7527 -149323.0715 298.1801 51.4748 82.1689 557967.0595 -7.4907 -7.3379 PRESSURE: 1313200 110.026 -39.174 -52.6388 -39.1746 34.0966 -60.4936 -52.6389 -60.4937 -112.293 GPRESSURE: 1313200 101.903 -41.4806 -153.414 -56.6772 51.8469 -48.6331 -17.1866 -152.909 -21.7629 PRESSAVG: 1313200 -23.9137 -10.5156 -32.703 -10.5156 36.3709 -69.3201 -32.7029 -69.32 -26.9868 GPRESSAVG: 1313200 -22.8393 -10.1708 -31.9018 -11.0604 35.0348 -69.0785 -32.543 -67.496 -26.448 TIMING: 1313200 CPU: 3915.26, 0.00298657/step Wall: 3915.26, 0.00298657/step, 3.05858 hours remaining, 207.222656 MB of memory in use. ENERGY: 1313200 703.7124 2066.4460 1927.1735 107.6124 -206252.6543 17860.6020 0.0000 0.0000 34228.4992 -149358.6086 298.9260 -183587.1078 -149266.6900 298.8584 10.6099 43.9957 558079.4903 -4.8432 -4.7508 PRESSURE: 1313400 186.438 50.6181 -135.821 50.6186 117.306 -74.574 -135.82 -74.5732 84.3933 GPRESSURE: 1313400 184.119 67.1127 -45.617 62.1493 118.581 -106.783 -188.031 6.76424 181.098 PRESSAVG: 1313400 -15.2695 0.972718 -42.3908 0.972778 51.9276 21.6617 -42.3909 21.6616 -31.9485 GPRESSAVG: 1313400 -15.4941 1.08859 -42.2271 2.27557 52.3895 21.9529 -41.6747 20.459 -32.1974 TIMING: 1313400 CPU: 3915.86, 0.00299135/step Wall: 3915.86, 0.00299135/step, 3.06331 hours remaining, 207.222656 MB of memory in use. ENERGY: 1313400 719.9275 2087.4993 1907.8624 109.3362 -206409.1083 17889.3449 0.0000 0.0000 34490.7616 -149204.3764 301.2164 -183695.1380 -149106.8572 299.2547 129.3792 161.2663 557070.3089 1.5699 1.5660 PRESSURE: 1313600 -380.727 3.71028 -51.8982 3.71036 -129.128 95.1527 -51.8984 95.1516 -187.766 GPRESSURE: 1313600 -289.78 24.9238 -30.7603 20.0723 -96.8857 28.5648 -30.4738 65.2921 -211.451 PRESSAVG: 1313600 -50.7299 38.9122 -19.6832 38.9121 49.2772 26.9858 -19.6831 26.9859 -46.393 GPRESSAVG: 1313600 -50.458 40.2299 -17.9701 37.1326 50.3677 26.2887 -21.1511 30.0648 -47.3025 TIMING: 1313600 CPU: 3916.45, 0.0029741/step Wall: 3916.45, 0.0029741/step, 3.04547 hours remaining, 207.222656 MB of memory in use. ENERGY: 1313600 729.0412 2135.8133 1936.6364 115.9956 -205595.5425 17457.9824 0.0000 0.0000 34140.4090 -149079.6648 298.1567 -183220.0738 -148985.9843 299.1298 -232.5406 -199.3722 561257.6822 -15.9485 -15.7976 PRESSURE: 1313800 19.8322 140.673 -42.9953 140.674 383.192 63.5294 -42.9957 63.5277 -84.0034 GPRESSURE: 1313800 45.0209 172.658 -0.788059 186.951 420.117 108.783 -42.6597 -20.2824 -50.4931 PRESSAVG: 1313800 -46.2521 33.2232 -3.64171 33.2231 58.7387 30.8709 -3.64171 30.8708 -7.12839 GPRESSAVG: 1313800 -46.4377 32.9161 -2.43927 35.2332 57.2087 32.7206 -3.6215 28.9288 -5.49845 TIMING: 1313800 CPU: 3917.05, 0.00301006/step Wall: 3917.05, 0.00301006/step, 3.08214 hours remaining, 207.222656 MB of memory in use. ENERGY: 1313800 761.3795 2150.3872 1946.1957 114.8605 -206567.4543 17957.5375 0.0000 0.0000 34397.0655 -149240.0285 300.3981 -183637.0939 -149133.1299 299.1574 106.3401 138.2149 556883.5277 1.7861 1.7575 PRESSURE: 1314000 -246.997 -36.642 211.733 -36.6407 -336.178 -38.7581 211.734 -38.7576 -296.901 GPRESSURE: 1314000 -241.122 -61.7993 164.944 -59.0381 -313.253 12.5928 231.628 -110.631 -246.942 PRESSAVG: 1314000 5.49378 -9.31751 63.0356 -9.31736 -73.2644 15.6042 63.0357 15.6042 45.8084 GPRESSAVG: 1314000 6.42157 -11.0246 62.4319 -9.50064 -72.972 14.5842 62.1389 14.8819 44.3699 TIMING: 1314000 CPU: 3917.66, 0.00300821/step Wall: 3917.66, 0.00300821/step, 3.08007 hours remaining, 207.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1314000 759.6206 2088.2543 1947.7024 108.4390 -205858.2738 17437.9513 0.0000 0.0000 34267.5964 -149248.7098 299.2674 -183516.3061 -149152.1815 299.8585 -293.3584 -267.1057 558096.2022 -7.3207 -7.3935 PRESSURE: 1314200 -17.8161 -75.1378 -10.3434 -75.1377 104.444 -96.6626 -10.3452 -96.6625 235.169 GPRESSURE: 1314200 25.3684 -18.4636 -20.9212 -37.7304 130.824 -150.211 6.21377 -121.148 266.703 PRESSAVG: 1314200 -3.01198 -35.4645 32.4884 -35.4646 -21.7954 -21.3355 32.4882 -21.3354 50.6579 GPRESSAVG: 1314200 -3.66686 -34.3143 30.2166 -36.4752 -21.372 -20.7242 32.8278 -21.1278 50.6067 TIMING: 1314200 CPU: 3918.26, 0.00303216/step Wall: 3918.26, 0.00303216/step, 3.10443 hours remaining, 207.222656 MB of memory in use. ENERGY: 1314200 723.2590 2078.3029 1961.4288 105.8148 -206406.5392 17971.9537 0.0000 0.0000 34226.1014 -149339.6786 298.9051 -183565.7800 -149240.9808 299.3031 107.2657 140.9651 556622.5647 8.6168 8.5226 PRESSURE: 1314400 -124.793 78.0191 6.22116 78.0194 -224.132 221.976 6.22142 221.977 -194.38 GPRESSURE: 1314400 -135.843 82.7678 22.2722 95.8455 -181.019 250.124 -4.06633 214.688 -119.989 PRESSAVG: 1314400 -27.9795 -12.1007 -5.67261 -12.1007 5.09054 4.09029 -5.67266 4.09036 37.127 GPRESSAVG: 1314400 -28.4433 -12.4508 -2.76006 -10.5008 4.96679 3.0238 -4.9338 7.67656 38.2865 TIMING: 1314400 CPU: 3918.86, 0.00301246/step Wall: 3918.86, 0.00301246/step, 3.08409 hours remaining, 207.222656 MB of memory in use. ENERGY: 1314400 742.4049 2087.8601 1915.2506 115.5631 -206067.7105 17653.4030 0.0000 0.0000 34162.0361 -149391.1926 298.3456 -183553.2287 -149300.4955 299.2057 -181.1018 -145.6170 558487.9196 4.7460 4.9366 PRESSURE: 1314600 -87.2278 60.7186 -7.53046 60.7189 70.6455 54.7151 -7.53117 54.7154 146.86 GPRESSURE: 1314600 -17.2045 21.9386 15.98 59.0548 69.846 75.222 -76.3337 58.2595 170.831 PRESSAVG: 1314600 -65.6945 -1.27174 -17.9064 -1.27179 -37.1284 45.3679 -17.9063 45.3678 86.4147 GPRESSAVG: 1314600 -64.7778 0.0901208 -16.6128 -2.55564 -36.7012 46.6709 -19.121 42.7315 84.9128 TIMING: 1314600 CPU: 3919.46, 0.00299767/step Wall: 3919.46, 0.00299767/step, 3.06878 hours remaining, 207.222656 MB of memory in use. ENERGY: 1314600 726.6385 2131.1929 1923.8478 107.5130 -206160.3950 17860.5098 0.0000 0.0000 34061.7777 -149348.9152 297.4700 -183410.6929 -149257.5100 298.4187 43.4261 74.4908 557162.8993 -5.4694 -5.5221 PRESSURE: 1314800 -83.6604 58.1385 -48.8173 58.138 -179.916 -89.514 -48.8169 -89.5147 -162.561 GPRESSURE: 1314800 -35.7418 15.6132 -77.1792 186.594 -238.219 -38.0472 6.46501 30.5964 -65.353 PRESSAVG: 1314800 -7.37055 23.4163 13.8099 23.4163 26.1477 3.73808 13.8098 3.73809 33.6203 GPRESSAVG: 1314800 -7.91403 20.5912 12.0389 24.7106 26.139 3.33159 13.4598 4.52506 34.0974 TIMING: 1314800 CPU: 3920.07, 0.00302751/step Wall: 3920.07, 0.00302751/step, 3.09916 hours remaining, 207.222656 MB of memory in use. ENERGY: 1314800 749.3764 2079.6383 1920.3671 110.6167 -206111.0828 17597.8676 0.0000 0.0000 34358.2779 -149294.9388 300.0594 -183653.2167 -149187.3727 298.6956 -142.0459 -113.1047 556679.5431 17.4658 17.4408 PRESSURE: 1315000 135.458 70.5469 -67.9627 70.548 18.6052 -134.092 -67.9626 -134.091 -280.503 GPRESSURE: 1315000 142.411 26.5542 -94.0809 124.735 51.709 -139.939 -70.2844 -196.136 -218.169 PRESSAVG: 1315000 48.8063 13.5128 -17.804 13.5129 39.0772 13.7099 -17.804 13.7099 -121.065 GPRESSAVG: 1315000 49.6452 16.4077 -16.3148 11.2269 38.796 13.6514 -16.8212 14.6281 -121.133 TIMING: 1315000 CPU: 3920.67, 0.0030092/step Wall: 3920.67, 0.0030092/step, 3.08025 hours remaining, 207.222656 MB of memory in use. ENERGY: 1315000 725.7230 2057.4116 1911.9645 114.8366 -206231.8114 17815.4341 0.0000 0.0000 34341.7264 -149264.7152 299.9148 -183606.4416 -149164.5714 299.3660 -42.1467 -8.0161 558304.7124 -11.0606 -10.8973 PRESSURE: 1315200 -118.792 144.756 183.059 144.757 60.45 92.2386 183.06 92.2388 -122.618 GPRESSURE: 1315200 -63.1953 209.781 121.609 255.976 98.1209 83.3898 260.765 77.2375 -135.084 PRESSAVG: 1315200 19.3444 66.8117 1.08724 66.8119 44.0119 -15.2557 1.08735 -15.2558 -20.3958 GPRESSAVG: 1315200 19.161 65.1071 -0.675949 69.344 44.2409 -13.2761 0.426148 -18.0044 -20.4328 TIMING: 1315200 CPU: 3921.27, 0.00299471/step Wall: 3921.27, 0.00299471/step, 3.06525 hours remaining, 207.222656 MB of memory in use. ENERGY: 1315200 747.7042 2065.5845 1944.4556 110.2497 -206166.3011 17718.6130 0.0000 0.0000 34265.8216 -149313.8725 299.2519 -183579.6942 -149217.5543 299.1944 -60.3199 -33.3863 557530.9380 14.3202 14.3231 PRESSURE: 1315400 92.2339 142.362 213.089 142.361 60.8616 -9.55274 213.089 -9.55162 107.66 GPRESSURE: 1315400 147.77 144.275 91.9994 126.164 66.4487 31.3343 244.998 -90.7651 142.459 PRESSAVG: 1315400 6.35883 2.11208 84.0773 2.11203 40.8535 64.041 84.0774 64.041 -46.5882 GPRESSAVG: 1315400 5.68897 4.85755 84.9245 -0.063328 41.897 62.5877 83.2837 63.7811 -46.8909 TIMING: 1315400 CPU: 3921.87, 0.00297908/step Wall: 3921.87, 0.00297908/step, 3.04909 hours remaining, 207.222656 MB of memory in use. ENERGY: 1315400 737.5743 2023.4812 1926.7752 109.3770 -206378.5403 17973.2299 0.0000 0.0000 34317.1996 -149290.9032 299.7006 -183608.1028 -149198.0231 299.2296 86.9186 118.8926 557731.1096 0.2081 0.2317 PRESSURE: 1315600 -189.81 -47.7907 -14.1783 -47.791 -143.77 25.6311 -14.1791 25.6303 135.42 GPRESSURE: 1315600 -144.623 -6.51887 -17.533 -72.2039 -64.7781 -3.50572 -23.6247 -43.4142 107.159 PRESSAVG: 1315600 60.9306 9.67542 10.4304 9.67538 -34.0549 28.9434 10.4304 28.9433 12.875 GPRESSAVG: 1315600 61.126 6.99894 11.0507 11.7352 -34.7864 27.9875 10.4428 32.4151 13.4001 TIMING: 1315600 CPU: 3922.46, 0.00297651/step Wall: 3922.46, 0.00297651/step, 3.04629 hours remaining, 207.222656 MB of memory in use. ENERGY: 1315600 729.9189 1969.9522 1936.9706 128.5109 -205917.0476 17692.0626 0.0000 0.0000 34097.8925 -149361.7400 297.7854 -183459.6325 -149262.9537 299.3340 -66.0534 -34.0807 557723.7550 13.2502 13.2466 PRESSURE: 1315800 -192.732 8.9002 34.3169 8.90106 -333.94 -14.4044 34.3168 -14.4047 -365.758 GPRESSURE: 1315800 -155.265 88.8969 60.4589 -61.7055 -298.136 -41.4342 -26.1282 61.6922 -340.794 PRESSAVG: 1315800 17.5591 1.19264 -1.82784 1.19262 -26.5387 60.5012 -1.82776 60.501 15.9039 GPRESSAVG: 1315800 17.9484 2.39538 -1.64253 0.55635 -26.4532 60.8321 -2.0001 59.0266 15.569 TIMING: 1315800 CPU: 3923.06, 0.00297931/step Wall: 3923.06, 0.00297931/step, 3.049 hours remaining, 207.222656 MB of memory in use. ENERGY: 1315800 755.2552 2054.1629 1926.4956 121.2112 -205989.4119 17524.3813 0.0000 0.0000 34165.3321 -149442.5736 298.3743 -183607.9057 -149348.6023 299.0488 -297.4765 -264.7319 558971.8964 2.3081 2.3547 PRESSURE: 1316000 -38.679 -11.3585 -103.728 -11.3589 -159.749 128.053 -103.729 128.055 -131.928 GPRESSURE: 1316000 -29.8518 -26.7252 -69.3991 -0.00195662 -159.978 72.562 -116.474 149.327 -51.2595 PRESSAVG: 1316000 12.7263 -7.75674 -2.89888 -7.75675 22.8732 -0.109393 -2.89894 -0.109493 -54.9044 GPRESSAVG: 1316000 14.1805 -6.5931 -4.2582 -7.75251 21.2067 1.29714 -2.7064 -1.21701 -54.6572 TIMING: 1316000 CPU: 3923.65, 0.00297287/step Wall: 3923.65, 0.00297287/step, 3.04223 hours remaining, 207.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1316000 715.2482 2016.9585 1912.1794 126.0641 -205982.5952 17480.6408 0.0000 0.0000 34271.5495 -149459.9547 299.3020 -183731.5042 -149363.8764 299.0002 -110.1188 -80.3632 556621.2080 -6.4350 -6.4233 PRESSURE: 1316200 -172.99 -88.6246 -147.527 -88.6242 118.43 -85.3704 -147.528 -85.3707 102.235 GPRESSURE: 1316200 -97.8339 -27.1098 -69.7796 -112.961 112.473 -88.4516 -198.284 -87.14 122.189 PRESSAVG: 1316200 -2.26027 13.2774 48.6272 13.2775 -0.67881 5.68425 48.6272 5.68428 2.43673 GPRESSAVG: 1316200 -2.73213 9.69144 46.4171 13.2624 0.0446978 4.57535 50.0765 6.1384 2.72658 TIMING: 1316200 CPU: 3924.25, 0.00300423/step Wall: 3924.25, 0.00300423/step, 3.07416 hours remaining, 207.222656 MB of memory in use. ENERGY: 1316200 746.6930 2113.4495 1932.4676 109.7587 -206424.2706 17818.5934 0.0000 0.0000 34279.5081 -149423.8003 299.3715 -183703.3084 -149325.9481 299.0297 15.8916 45.6094 556506.4013 -0.1675 0.0130 LDB: ============= START OF LOAD BALANCING ============== 3927.8 LDB: ============== END OF LOAD BALANCING =============== 3927.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3927.8 LDB: ============= START OF LOAD BALANCING ============== 3928.11 LDB: Largest compute 4796 load 0.026817 is 22.7% of average load 0.118169 LDB: Average compute 0.001721 is 1.5% of average load 0.118169 LDB: TIME 3928.11 LOAD: AVG 0.118169 MAX 0.209918 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.926 MB LDB: TIME 3928.11 LOAD: AVG 0.118169 MAX 0.209918 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: TIME 3928.11 LOAD: AVG 0.118169 MAX 0.209918 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3928.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3928.12 PRESSURE: 1316400 -146.17 46.7526 -18.5108 46.7534 -233.405 -58.1308 -18.5103 -58.1306 70.8726 GPRESSURE: 1316400 -120.332 70.3251 -66.8349 -50.0941 -184.488 -103.329 -14.7995 51.1405 106.591 PRESSAVG: 1316400 -7.53281 -43.738 14.1168 -43.738 8.77149 -58.4177 14.1168 -58.4176 9.81014 GPRESSAVG: 1316400 -8.33426 -41.5875 14.6425 -45.2528 9.90601 -58.3309 12.6251 -58.6642 9.8245 TIMING: 1316400 CPU: 3924.87, 0.0030712/step Wall: 3924.87, 0.0030712/step, 3.14252 hours remaining, 206.511719 MB of memory in use. ENERGY: 1316400 748.2937 2094.4874 1949.5025 118.3891 -206257.7929 17770.4304 0.0000 0.0000 34179.5344 -149397.1553 298.4984 -183576.6898 -149300.7509 299.0962 -102.9008 -66.0763 557582.9338 3.6829 3.7987 PRESSURE: 1316600 -76.7625 -137.065 173.411 -137.065 120.126 21.4049 173.411 21.4046 130.692 GPRESSURE: 1316600 -68.0253 -232.566 163.697 -99.234 198.83 7.85362 223.893 -28.3623 132.91 PRESSAVG: 1316600 34.3338 -40.3575 -10.56 -40.3575 8.68475 1.87239 -10.5599 1.87236 -15.6447 GPRESSAVG: 1316600 33.8082 -39.8477 -9.33808 -38.4614 9.74078 2.83041 -11.4519 1.57792 -16.0257 TIMING: 1316600 CPU: 3925.47, 0.00301525/step Wall: 3925.47, 0.00301525/step, 3.0851 hours remaining, 206.714844 MB of memory in use. ENERGY: 1316600 737.3973 2120.1300 1953.7334 99.4337 -206161.2279 17741.6794 0.0000 0.0000 34180.9929 -149327.8611 298.5111 -183508.8540 -149229.3410 299.2827 58.0186 87.9047 557301.7268 9.1246 9.1744 PRESSURE: 1316800 5.0135 -33.1367 -189.897 -33.1366 239.64 -6.36608 -189.897 -6.36594 -64.0756 GPRESSURE: 1316800 6.12048 -75.8264 -151.554 -34.3678 248.746 60.6819 -118.615 -114.61 25.0733 PRESSAVG: 1316800 50.5463 14.2467 -46.8522 14.2467 0.196413 -42.0893 -46.8522 -42.0893 -56.426 GPRESSAVG: 1316800 51.5457 14.503 -47.2005 13.2799 -1.51773 -42.1987 -44.0981 -43.0839 -55.3012 TIMING: 1316800 CPU: 3926.07, 0.00300301/step Wall: 3926.07, 0.00300301/step, 3.07241 hours remaining, 206.714844 MB of memory in use. ENERGY: 1316800 731.1004 2083.3044 1943.8694 112.2720 -206510.6289 18049.8549 0.0000 0.0000 34187.9229 -149402.3050 298.5716 -183590.2279 -149299.5180 298.6067 60.1926 93.3132 558019.6840 -1.8944 -1.7577 PRESSURE: 1317000 -2.76927 -110.166 13.0788 -110.167 6.63213 36.8332 13.0783 36.8327 -210.577 GPRESSURE: 1317000 3.07421 -55.9229 1.93619 -44.7648 64.7658 92.3655 -11.9753 -41.7801 -176.459 PRESSAVG: 1317000 -48.7972 -31.1106 9.55158 -31.1106 71.6323 -19.965 9.55153 -19.965 -50.7257 GPRESSAVG: 1317000 -48.3329 -32.7014 9.11201 -29.5752 73.0861 -21.6984 9.10406 -17.4758 -52.5577 TIMING: 1317000 CPU: 3926.67, 0.00298307/step Wall: 3926.67, 0.00298307/step, 3.05184 hours remaining, 206.714844 MB of memory in use. ENERGY: 1317000 724.1346 2031.8048 1926.3555 107.9586 -206339.6980 17568.3014 0.0000 0.0000 34480.0906 -149501.0524 301.1232 -183981.1431 -149406.3164 298.4745 -68.9046 -36.2063 557295.0247 -9.2969 -9.2681 PRESSURE: 1317200 144.555 38.327 22.8677 38.3269 -112.589 103.238 22.8659 103.237 256.209 GPRESSURE: 1317200 128.125 -16.7644 -49.8273 45.1558 -78.9078 132.205 -2.63726 28.3233 343.102 PRESSAVG: 1317200 8.65555 -33.2025 33.5084 -33.2025 -4.16622 -16.7099 33.5083 -16.7099 -29.3992 GPRESSAVG: 1317200 8.50949 -31.8748 30.6188 -35.1446 -4.25535 -16.0629 33.4238 -17.1111 -28.5764 TIMING: 1317200 CPU: 3927.26, 0.00296383/step Wall: 3927.26, 0.00296383/step, 3.032 hours remaining, 206.714844 MB of memory in use. ENERGY: 1317200 738.2191 2108.3883 1923.6925 117.4600 -206598.4248 18071.5449 0.0000 0.0000 33951.2126 -149687.9074 296.5044 -183639.1200 -149604.2205 298.6308 96.0584 130.7730 557092.7484 -8.3033 -8.1074 PRESSURE: 1317400 214.214 46.3996 9.3227 46.4003 -213.672 36.6167 9.32309 36.615 -56.8723 GPRESSURE: 1317400 246.924 -10.53 -29.3456 93.6569 -136.914 25.9998 -2.40125 -14.4755 -60.2776 PRESSAVG: 1317400 75.0167 9.31108 -31.4609 9.31096 -27.5665 -64.8068 -31.4608 -64.8068 -51.892 GPRESSAVG: 1317400 75.0636 8.26094 -31.0556 11.699 -28.8152 -64.205 -30.504 -67.3853 -50.6219 TIMING: 1317400 CPU: 3927.86, 0.00301276/step Wall: 3927.86, 0.00301275/step, 3.08188 hours remaining, 206.714844 MB of memory in use. ENERGY: 1317400 717.1020 2084.0707 1940.6263 97.6308 -206318.9052 17774.0511 0.0000 0.0000 34341.2441 -149364.1801 299.9106 -183705.4242 -149264.3546 298.6847 -18.7765 16.5774 557082.5287 -1.4806 -1.4579 PRESSURE: 1317600 46.5624 -72.0441 108.82 -72.046 28.4685 -49.628 108.821 -49.6285 -120.601 GPRESSURE: 1317600 122.696 -94.7267 74.9443 -73.1282 43.1592 -39.5266 154.456 -32.2697 -116.986 PRESSAVG: 1317600 14.4547 -13.7221 39.2597 -13.7222 24.9336 -51.1287 39.2596 -51.1288 -5.4379 GPRESSAVG: 1317600 13.7345 -13.7674 41 -15.3413 26.3085 -52.114 37.5458 -49.1761 -6.13274 TIMING: 1317600 CPU: 3928.47, 0.00302139/step Wall: 3928.47, 0.00302139/step, 3.09055 hours remaining, 206.714844 MB of memory in use. ENERGY: 1317600 713.7726 2069.8560 1932.8475 117.5800 -206379.3495 17853.6266 0.0000 0.0000 34476.7907 -149214.8761 301.0944 -183691.6668 -149115.0067 299.3369 -15.1900 16.2897 556720.1479 11.3168 11.3034 PRESSURE: 1317800 -82.1805 64.2762 -216.163 64.2751 -66.924 201.289 -216.163 201.289 -161.911 GPRESSURE: 1317800 -44.3558 136.916 -232.447 -26.4199 -67.0887 154.272 -170.434 131.305 -94.0696 PRESSAVG: 1317800 -19.6237 27.6791 -5.70873 27.6791 38.5454 -18.3599 -5.70865 -18.3599 -0.614013 GPRESSAVG: 1317800 -19.0618 27.4521 -5.19974 28.7957 37.346 -17.6323 -3.04378 -18.9977 0.315899 TIMING: 1317800 CPU: 3929.06, 0.0029888/step Wall: 3929.06, 0.0029888/step, 3.05704 hours remaining, 206.714844 MB of memory in use. ENERGY: 1317800 779.1982 2111.3046 1931.4507 106.8361 -206074.2135 17684.5576 0.0000 0.0000 34472.7949 -148988.0716 301.0595 -183460.8665 -148896.8421 300.2192 -103.6720 -68.5047 557578.5198 6.1026 6.2000 PRESSURE: 1318000 -112.911 60.6245 188.566 60.6245 134.226 -72.6505 188.566 -72.65 -113.332 GPRESSURE: 1318000 -89.0915 4.18723 132.146 125.085 187.554 -94.8584 145.244 -147.413 -97.4728 PRESSAVG: 1318000 -87.6409 -44.1771 52.7 -44.1771 -26.2244 -12.8735 52.7 -12.8734 65.8155 GPRESSAVG: 1318000 -87.9513 -42.9557 52.3934 -44.3775 -24.853 -13.3641 51.9852 -12.4559 65.1117 TIMING: 1318000 CPU: 3929.66, 0.00298355/step Wall: 3929.66, 0.00298355/step, 3.05151 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1318000 737.4283 2086.6068 1922.1523 115.1218 -206024.7821 17740.4358 0.0000 0.0000 34333.4756 -149089.5615 299.8428 -183423.0371 -148993.9756 300.0865 -30.6722 0.3299 556782.0985 -16.0166 -15.8975 PRESSURE: 1318200 90.8419 -43.1123 -107.165 -43.1121 35.9585 156.018 -107.166 156.019 -214.026 GPRESSURE: 1318200 145.012 -124.855 3.47876 36.4988 102.642 152.746 -160.136 121.87 -244.646 PRESSAVG: 1318200 0.970645 28.0296 17.6116 28.0296 -6.32296 -7.76912 17.6116 -7.76925 14.2064 GPRESSAVG: 1318200 1.76777 25.8631 18.911 28.9848 -6.18523 -7.28581 16.0518 -8.06293 13.2855 TIMING: 1318200 CPU: 3930.26, 0.00300053/step Wall: 3930.26, 0.00300053/step, 3.06871 hours remaining, 206.714844 MB of memory in use. ENERGY: 1318200 735.0262 2087.7543 1938.4679 114.9549 -206110.2569 17841.6356 0.0000 0.0000 34388.6240 -149003.7940 300.3244 -183392.4180 -148904.3909 299.6649 -29.0753 1.0026 557818.6200 2.9514 2.9560 PRESSURE: 1318400 -25.5626 80.1939 143.033 80.1931 -31.3561 -45.5348 143.032 -45.5344 62.2486 GPRESSURE: 1318400 5.74524 8.65449 189.771 124.531 1.62851 -66.9621 129.801 -42.6887 105.381 PRESSAVG: 1318400 25.7609 36.1003 13.4036 36.1003 18.7442 -22.4262 13.4035 -22.4262 -79.2194 GPRESSAVG: 1318400 25.1828 38.6103 11.5206 34.9303 18.9965 -19.8021 13.191 -23.6852 -79.2817 TIMING: 1318400 CPU: 3930.86, 0.0030036/step Wall: 3930.86, 0.0030036/step, 3.07168 hours remaining, 206.714844 MB of memory in use. ENERGY: 1318400 716.2034 2090.6235 1930.2229 107.7853 -205857.3521 17693.4444 0.0000 0.0000 34093.0146 -149226.0580 297.7428 -183319.0726 -149132.0096 299.1072 1.7766 37.5849 557090.0235 -11.5714 -11.7008 PRESSURE: 1318600 -19.3266 -104.74 203.864 -104.74 -106.23 -114.726 203.863 -114.726 94.3846 GPRESSURE: 1318600 -9.39492 -78.4475 259.019 -104.514 -22.7545 -128.556 186.288 -38.2216 87.5513 PRESSAVG: 1318600 -5.65554 7.26609 -41.5076 7.26611 11.1343 -43.8296 -41.5076 -43.8296 3.01697 GPRESSAVG: 1318600 -4.61409 6.61763 -40.243 4.49926 9.5328 -46.0735 -38.2167 -42.1503 3.91051 TIMING: 1318600 CPU: 3931.46, 0.00298264/step Wall: 3931.46, 0.00298264/step, 3.05008 hours remaining, 206.714844 MB of memory in use. ENERGY: 1318600 745.1544 2082.2161 1929.8167 105.0275 -205938.0415 17745.9151 0.0000 0.0000 34249.6415 -149080.2702 299.1106 -183329.9117 -148984.8430 299.4686 -10.3906 18.4673 558313.4250 2.8319 2.9431 PRESSURE: 1318800 -195.011 -11.6258 -83.272 -11.6257 -7.18395 30.0747 -83.2721 30.0731 -116.257 GPRESSURE: 1318800 -204.373 -31.3615 -67.3834 -3.51436 49.6589 73.3614 -110.685 -7.21259 -74.1333 PRESSAVG: 1318800 35.6286 16.5002 16.3215 16.5002 24.2822 19.6273 16.3215 19.6273 -35.2444 GPRESSAVG: 1318800 35.6061 15.2566 15.3857 20.471 24.0587 19.4052 15.7485 19.5426 -35.1093 TIMING: 1318800 CPU: 3932.05, 0.00296596/step Wall: 3932.05, 0.00296596/step, 3.03286 hours remaining, 206.714844 MB of memory in use. ENERGY: 1318800 789.3979 2048.8122 1923.1016 114.1309 -205702.3747 17506.7638 0.0000 0.0000 34330.8088 -148989.3594 299.8195 -183320.1682 -148888.8837 299.5542 -106.1507 -76.2825 558013.3564 8.2222 8.1852 PRESSURE: 1319000 213.382 -89.7694 -44.5117 -89.7675 315.073 188.965 -44.5112 188.964 108.282 GPRESSURE: 1319000 236.292 -105.385 3.48486 -68.7045 344.718 152.233 53.3935 176.556 146.728 PRESSAVG: 1319000 -7.08655 -8.76666 -9.86076 -8.76661 15.8733 -6.98741 -9.86072 -6.9874 17.2457 GPRESSAVG: 1319000 -8.06641 -7.1737 -7.44283 -12.3235 16.2534 -6.19562 -11.0881 -7.69498 17.2359 TIMING: 1319000 CPU: 3932.65, 0.00298434/step Wall: 3932.65, 0.00298434/step, 3.05149 hours remaining, 206.714844 MB of memory in use. ENERGY: 1319000 713.4666 2077.2655 1926.4842 109.7985 -206297.4553 17886.9552 0.0000 0.0000 34591.1657 -148992.3196 302.0933 -183583.4853 -148899.4109 300.2925 212.2455 242.5795 554783.2915 8.6775 8.4743 PRESSURE: 1319200 178.812 -21.5449 125.332 -21.5443 -99.6423 54.5655 125.332 54.5651 -214.819 GPRESSURE: 1319200 180.524 -58.7502 -8.78434 -24.1726 -53.0421 62.4373 169.006 48.0809 -176.713 PRESSAVG: 1319200 -0.174599 -17.2175 48.2639 -17.2175 17.1609 -13.7418 48.2638 -13.7418 -22.4934 GPRESSAVG: 1319200 -0.81487 -18.1097 46.7875 -15.336 18.7793 -15.3293 48.7658 -13.4816 -23.9925 TIMING: 1319200 CPU: 3933.25, 0.00298909/step Wall: 3933.25, 0.00298909/step, 3.05618 hours remaining, 206.714844 MB of memory in use. ENERGY: 1319200 747.4396 2096.4486 1906.5373 117.0232 -206209.5645 17694.0779 0.0000 0.0000 34391.7888 -149256.2492 300.3520 -183648.0380 -149156.2461 300.4523 -45.2166 -16.4102 555615.7402 -1.8357 -2.0094 PRESSURE: 1319400 250.813 -91.4531 54.1204 -91.4534 186.769 120.452 54.1199 120.452 149.162 GPRESSURE: 1319400 331.665 -151.852 61.5946 -49.3917 236.217 128.383 21.508 -7.25143 117.025 PRESSAVG: 1319400 -7.27986 -40.8665 -11.7613 -40.8665 -7.40923 0.965001 -11.7613 0.965023 -1.17651 GPRESSAVG: 1319400 -6.87715 -40.2456 -11.0483 -40.5777 -9.8237 2.05225 -13.1091 0.285151 0.651792 TIMING: 1319400 CPU: 3933.85, 0.00299994/step Wall: 3933.85, 0.00299994/step, 3.06711 hours remaining, 206.714844 MB of memory in use. ENERGY: 1319400 732.2791 2074.8138 1896.8146 108.9192 -206006.6354 17840.5378 0.0000 0.0000 34036.7164 -149316.5543 297.2511 -183353.2708 -149224.0364 299.1018 195.5810 228.3022 555074.1711 -5.2885 -5.3497 PRESSURE: 1319600 167.861 -12.5365 -110.215 -12.5351 -75.0194 -131.334 -110.213 -131.334 182.718 GPRESSURE: 1319600 168.149 69.82 -38.8688 -141.643 8.61724 -98.2603 -104.008 -99.6923 191.636 PRESSAVG: 1319600 -7.97432 -34.952 -26.3925 -34.9522 6.93757 -10.1468 -26.3924 -10.1467 7.23284 GPRESSAVG: 1319600 -7.51939 -34.2375 -24.1793 -34.1639 8.23163 -9.18877 -27.7066 -10.4187 5.357 TIMING: 1319600 CPU: 3934.45, 0.00300309/step Wall: 3934.45, 0.00300309/step, 3.07016 hours remaining, 206.714844 MB of memory in use. ENERGY: 1319600 700.7279 2029.1188 1968.5212 112.6634 -206480.1417 17943.9197 0.0000 0.0000 34494.2411 -149230.9496 301.2468 -183725.1907 -149133.8141 298.9269 91.8532 122.8005 556796.7570 2.0654 2.0231 PRESSURE: 1319800 -125.631 -161.69 -179.816 -161.691 -177.151 238.864 -179.817 238.865 -151.668 GPRESSURE: 1319800 -65.6272 -113.542 -83.5546 -176.147 -148.363 259.592 -174.876 123.547 -141.354 PRESSAVG: 1319800 -16.7041 3.39428 -31.7165 3.39444 -62.0025 49.2681 -31.7166 49.2683 27.1955 GPRESSAVG: 1319800 -17.5369 3.58829 -34.2225 2.24901 -62.7253 49.2311 -29.9069 49.3431 28.4425 TIMING: 1319800 CPU: 3935.05, 0.00299074/step Wall: 3935.05, 0.00299074/step, 3.05737 hours remaining, 206.714844 MB of memory in use. ENERGY: 1319800 750.3580 2129.9922 1949.4651 106.0124 -205918.5209 17571.5200 0.0000 0.0000 34222.3823 -149188.7908 298.8726 -183411.1731 -149094.7046 298.8360 -151.4834 -118.4478 558514.2076 -17.1704 -17.2732 PRESSURE: 1320000 -141.573 -41.2906 168.155 -41.2908 -111.278 116.042 168.156 116.042 104.487 GPRESSURE: 1320000 -100.173 -191.021 141.595 35.2429 -94.7571 36.4629 123.069 110.853 147.043 PRESSAVG: 1320000 -5.30232 -10.5003 -37.7163 -10.5003 9.93798 38.9256 -37.7163 38.9256 -19.3648 GPRESSAVG: 1320000 -4.64094 -10.8815 -37.9863 -10.9556 9.46703 37.9312 -38.8157 38.4948 -19.4864 TIMING: 1320000 CPU: 3935.64, 0.00299049/step Wall: 3935.64, 0.00299049/step, 3.05695 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1320000 762.2976 2086.6904 1942.9016 118.0706 -206390.3292 17847.3015 0.0000 0.0000 34370.8448 -149262.2228 300.1691 -183633.0676 -149166.6968 298.7865 -49.4548 -15.9623 558327.6766 -4.9097 -4.8868 PRESSURE: 1320200 -64.649 -156.524 33.4144 -156.524 -102.104 -89.669 33.415 -89.6667 -162.44 GPRESSURE: 1320200 -82.2422 -129.149 102.738 -166.37 -73.6051 -56.1941 50.338 -138.058 -73.5864 PRESSAVG: 1320200 2.13631 -56.7032 27.5611 -56.7033 50.7267 7.61729 27.5611 7.61721 -19.5199 GPRESSAVG: 1320200 1.3003 -56.874 29.1505 -57.3945 51.5857 9.05505 27.4221 7.85164 -20.0207 TIMING: 1320200 CPU: 3936.24, 0.00297706/step Wall: 3936.24, 0.00297706/step, 3.04305 hours remaining, 206.714844 MB of memory in use. ENERGY: 1320200 739.0179 2079.4697 1905.2436 100.7197 -206083.9746 17609.6581 0.0000 0.0000 34425.7545 -149224.1111 300.6487 -183649.8656 -149129.7724 299.3697 -109.7309 -76.4779 557417.8607 11.1144 10.9551 LDB: ============= START OF LOAD BALANCING ============== 3939.79 LDB: ============== END OF LOAD BALANCING =============== 3939.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3939.79 LDB: ============= START OF LOAD BALANCING ============== 3940.08 LDB: Largest compute 4774 load 0.027400 is 23.2% of average load 0.118192 LDB: Average compute 0.001727 is 1.5% of average load 0.118192 LDB: TIME 3940.09 LOAD: AVG 0.118192 MAX 0.208557 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.023 MB LDB: TIME 3940.09 LOAD: AVG 0.118192 MAX 0.208557 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.066 MB LDB: TIME 3940.09 LOAD: AVG 0.118192 MAX 0.208557 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.066 MB LDB: ============== END OF LOAD BALANCING =============== 3940.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3940.09 PRESSURE: 1320400 -36.0234 -34.847 1.9763 -34.8482 -12.5552 -22.3449 1.97673 -22.3458 -123.652 GPRESSURE: 1320400 -0.932201 -77.0528 14.5277 -43.8305 3.00501 -1.41861 53.2738 40.1558 -77.7025 PRESSAVG: 1320400 -35.6294 -86.4099 0.0307606 -86.4099 4.09968 44.9708 0.0308281 44.9707 -0.504404 GPRESSAVG: 1320400 -35.1653 -84.9768 -1.6189 -87.6253 4.52195 43.8114 -1.41974 46.753 -1.10894 TIMING: 1320400 CPU: 3936.84, 0.00302487/step Wall: 3936.84, 0.00302487/step, 3.09175 hours remaining, 207.792969 MB of memory in use. ENERGY: 1320400 720.3632 2112.7831 1940.9985 109.9097 -205930.9994 17811.0634 0.0000 0.0000 34056.3390 -149179.5426 297.4225 -183235.8816 -149081.2851 299.1273 -57.4101 -25.2099 558084.9174 -10.6781 -10.5841 PRESSURE: 1320600 -87.5032 -1.92256 219.454 -1.92326 156.556 21.5935 219.453 21.5943 4.27916 GPRESSURE: 1320600 -81.3974 -9.55153 189.041 -63.9123 183.269 -72.4202 255.378 148.702 83.7913 PRESSAVG: 1320600 1.54885 -71.2307 42.7744 -71.2307 51.0064 37.127 42.7744 37.1271 -43.1899 GPRESSAVG: 1320600 1.40335 -73.3638 42.3874 -70.1868 49.5944 38.6062 44.8297 35.7724 -42.3686 TIMING: 1320600 CPU: 3937.44, 0.0029853/step Wall: 3937.44, 0.0029853/step, 3.05115 hours remaining, 207.792969 MB of memory in use. ENERGY: 1320600 746.3838 2051.0730 1914.3419 109.2799 -205680.8188 17630.7220 0.0000 0.0000 34065.7717 -149163.2465 297.5049 -183229.0182 -149068.7323 300.4049 24.4439 61.8877 556544.9672 3.1218 2.8764 PRESSURE: 1320800 -131.071 -173.155 -154.543 -173.154 71.0858 84.5522 -154.543 84.5524 129.55 GPRESSURE: 1320800 -21.4967 -117.404 -109.216 -243.336 64.2903 29.2727 -107.306 72.704 135.496 PRESSAVG: 1320800 13.6519 -68.3844 -4.19852 -68.3844 39.3515 32.1338 -4.19858 32.1338 1.63569 GPRESSAVG: 1320800 12.1985 -67.2425 -3.24096 -67.6148 39.5124 30.0201 -3.50741 33.9725 2.6728 TIMING: 1320800 CPU: 3938.04, 0.00298737/step Wall: 3938.04, 0.00298737/step, 3.05309 hours remaining, 207.792969 MB of memory in use. ENERGY: 1320800 724.5850 2104.4258 1924.9963 118.2103 -205943.5655 17782.8003 0.0000 0.0000 34175.5981 -149112.9498 298.4640 -183288.5478 -149017.8635 299.7015 23.1886 59.4298 555909.9423 18.2130 18.1279 PRESSURE: 1321000 1.22096 22.0073 -19.477 22.0085 236.094 104.26 -19.4766 104.26 150.983 GPRESSURE: 1321000 84.14 10.6164 -105.005 34.319 229.472 154.508 -16.7668 96.2452 172.894 PRESSAVG: 1321000 -14.6918 -12.5598 -1.0492 -12.5598 -15.5267 97.1219 -1.04924 97.1219 13.5462 GPRESSAVG: 1321000 -14.7904 -13.2703 -1.23573 -11.5044 -14.5455 97.4248 -3.49104 96.1653 12.3215 TIMING: 1321000 CPU: 3938.64, 0.00300281/step Wall: 3938.64, 0.00300281/step, 3.0687 hours remaining, 207.792969 MB of memory in use. ENERGY: 1321000 751.4062 2074.9834 1909.7014 110.7800 -206223.4455 17890.1248 0.0000 0.0000 34324.9111 -149161.5387 299.7680 -183486.4498 -149069.0904 299.5260 129.4328 162.1687 555294.5785 -5.5574 -5.6715 PRESSURE: 1321200 -20.1258 87.6555 113.77 87.6568 -69.1872 145.717 113.769 145.717 45.63 GPRESSURE: 1321200 -42.2978 52.3386 153.128 75.4179 71.6725 46.2309 84.4108 157.577 24.2642 PRESSAVG: 1321200 18.3414 -28.9594 17.8527 -28.9594 -53.477 -13.2553 17.8527 -13.2552 8.82815 GPRESSAVG: 1321200 19.8432 -29.4235 18.2419 -27.8221 -53.9649 -11.0013 19.8551 -14.4251 7.81931 TIMING: 1321200 CPU: 3939.23, 0.00297766/step Wall: 3939.23, 0.00297766/step, 3.04284 hours remaining, 207.792969 MB of memory in use. ENERGY: 1321200 727.0054 2113.3969 1924.9365 102.8866 -206257.0637 17686.1416 0.0000 0.0000 34355.7961 -149346.9006 300.0377 -183702.6968 -149249.7481 300.1343 -14.5610 17.8796 554440.4424 -8.7692 -8.7675 PRESSURE: 1321400 120.244 -102.025 174.721 -102.025 220.497 149.685 174.721 149.685 100.039 GPRESSURE: 1321400 169.83 -166.006 153.808 -111.108 217.698 61.9276 152.073 148.595 151.982 PRESSAVG: 1321400 29.0451 21.5652 55.6571 21.5652 28.0407 59.7301 55.6571 59.73 -50.7671 GPRESSAVG: 1321400 29.6509 21.8611 53.6799 20.9629 27.3253 56.5003 55.5524 62.2375 -50.6084 TIMING: 1321400 CPU: 3939.84, 0.00301401/step Wall: 3939.84, 0.00301401/step, 3.07981 hours remaining, 207.792969 MB of memory in use. ENERGY: 1321400 718.8687 2149.7628 1943.9826 122.2904 -206097.7253 17869.6519 0.0000 0.0000 34133.5515 -149159.6174 298.0968 -183293.1689 -149066.9198 299.4949 146.9265 179.8367 555811.6614 2.1062 2.1226 PRESSURE: 1321600 214.512 -65.8458 32.9719 -65.8471 -90.7159 51.082 32.9717 51.0822 -95.0109 GPRESSURE: 1321600 234.713 -32.816 87.7694 -12.6425 -79.8296 -9.56247 103.862 154.109 -40.1606 PRESSAVG: 1321600 32.3179 26.2744 31.9591 26.2743 -15.3229 60.9434 31.9592 60.9435 0.114617 GPRESSAVG: 1321600 30.8564 27.5735 31.8328 25.4329 -15.2351 61.6208 31.5075 59.8875 1.51985 TIMING: 1321600 CPU: 3940.44, 0.00300357/step Wall: 3940.44, 0.00300357/step, 3.06898 hours remaining, 207.792969 MB of memory in use. ENERGY: 1321600 743.0630 2067.2242 1927.3994 103.0771 -206091.0140 17692.9187 0.0000 0.0000 34362.3325 -149194.9991 300.0948 -183557.3316 -149095.9244 299.5925 9.5951 38.2411 555325.8510 5.7032 5.7137 PRESSURE: 1321800 17.1313 -165.615 -20.3079 -165.615 91.1523 58.0698 -20.3094 58.0708 -162.6 GPRESSURE: 1321800 7.58276 -82.5685 -6.25187 -206.856 86.4477 70.2256 -61.6698 27.7289 -60.2373 PRESSAVG: 1321800 14.6949 17.407 -18.8346 17.4069 19.1938 -27.029 -18.8346 -27.0289 -39.6259 GPRESSAVG: 1321800 15.5905 16.8638 -16.1296 17.6111 18.9573 -24.6035 -18.5424 -27.9098 -40.4909 TIMING: 1321800 CPU: 3941.04, 0.00299848/step Wall: 3941.04, 0.00299848/step, 3.06361 hours remaining, 207.792969 MB of memory in use. ENERGY: 1321800 753.1416 2143.1724 1925.7112 133.1226 -205910.0903 17656.5580 0.0000 0.0000 34411.4642 -148886.9203 300.5239 -183298.3845 -148788.6729 300.1704 -18.1054 11.2644 556974.0973 -1.9124 -1.9810 PRESSURE: 1322000 19.5598 1.29793 -40.8333 1.29956 -167.806 -75.942 -40.8345 -75.9407 -316.181 GPRESSURE: 1322000 46.8922 40.4369 -66.8585 -27.9086 -150.107 -124.442 28.4925 -83.3967 -268.172 PRESSAVG: 1322000 -30.4604 4.42285 -37.5203 4.42299 67.8676 -4.39146 -37.5203 -4.39146 -40.7828 GPRESSAVG: 1322000 -30.9838 4.75111 -40.4774 3.63942 67.08 -6.69045 -37.3952 -3.07074 -39.5124 TIMING: 1322000 CPU: 3941.64, 0.00301491/step Wall: 3941.64, 0.00301491/step, 3.08023 hours remaining, 207.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1322000 737.5493 2125.6142 1922.5966 115.1180 -205654.4718 17514.4948 0.0000 0.0000 34423.5711 -148815.5277 300.6296 -183239.0988 -148713.0689 301.0295 -154.8092 -123.7955 556937.6918 -1.1252 -1.1387 PRESSURE: 1322200 -61.2491 21.3284 212.947 21.3292 100.871 92.5295 212.947 92.529 -96.2596 GPRESSURE: 1322200 -60.7811 -17.6534 201.322 71.4875 200.455 142.16 124.045 -5.52383 -93.2137 PRESSAVG: 1322200 11.3816 -30.9938 -68.1817 -30.9938 -15.3301 44.3164 -68.1818 44.3164 -25.0521 GPRESSAVG: 1322200 11.2077 -30.9873 -66.9623 -30.8521 -13.4195 43.6273 -69.6416 44.002 -26.6351 TIMING: 1322200 CPU: 3942.24, 0.00301309/step Wall: 3942.24, 0.00301309/step, 3.07821 hours remaining, 207.792969 MB of memory in use. ENERGY: 1322200 751.0421 2042.7721 1938.8737 126.5697 -205560.8200 17677.0351 0.0000 0.0000 34294.0112 -148730.5161 299.4981 -183024.5272 -148632.0206 300.7691 -18.8793 15.4868 558289.6205 -9.6668 -9.6157 PRESSURE: 1322400 -22.8608 -159.865 -51.7384 -159.865 -36.468 -55.9928 -51.7384 -55.9934 -295.498 GPRESSURE: 1322400 -14.1194 -215.87 -12.3127 -63.9405 -0.800254 -12.5511 -91.3763 -61.4289 -232.378 PRESSAVG: 1322400 -51.8282 -46.3333 -30.2349 -46.3334 52.0453 15.0218 -30.2349 15.0218 56.9 GPRESSAVG: 1322400 -51.0849 -48.5572 -28.1123 -46.9244 51.0445 15.2536 -30.0118 15.0614 57.0943 TIMING: 1322400 CPU: 3942.84, 0.00300209/step Wall: 3942.84, 0.00300209/step, 3.0668 hours remaining, 207.792969 MB of memory in use. ENERGY: 1322400 763.2650 2097.4266 1938.5125 116.5354 -205397.7329 17468.1629 0.0000 0.0000 34282.2702 -148731.5602 299.3956 -183013.8304 -148635.6042 300.9073 -118.2755 -82.4325 557820.8738 19.0390 19.0180 PRESSURE: 1322600 32.7126 -5.27065 -62.6994 -5.2702 -139.569 250.646 -62.6991 250.647 109.172 GPRESSURE: 1322600 -14.8407 21.9853 -54.7719 30.9523 -71.6066 220.488 -64.6378 199.889 172.561 PRESSAVG: 1322600 -11.7491 -25.8781 -43.7809 -25.8782 -15.3486 -29.4246 -43.7809 -29.4245 50.1644 GPRESSAVG: 1322600 -12.5001 -24.7296 -45.7312 -25.0931 -14.3131 -28.3159 -42.9086 -31.2984 50.1468 TIMING: 1322600 CPU: 3943.44, 0.0029941/step Wall: 3943.44, 0.0029941/step, 3.05848 hours remaining, 207.792969 MB of memory in use. ENERGY: 1322600 718.9649 2052.9891 1917.2410 115.1779 -205866.0156 17659.7291 0.0000 0.0000 34525.9129 -148876.0007 301.5234 -183401.9136 -148775.8554 300.9125 0.7716 28.7046 557563.5009 7.6889 7.7779 PRESSURE: 1322800 -216.73 172.187 -43.5554 172.186 241.609 18.6199 -43.5549 18.6203 -94.0423 GPRESSURE: 1322800 -130.432 168.107 -91.9397 222.037 240.079 -73.8045 -22.919 -7.18998 -81.4993 PRESSAVG: 1322800 15.1803 16.2709 -42.7511 16.2709 -6.37417 53.6723 -42.7511 53.6725 3.22391 GPRESSAVG: 1322800 14.7005 15.6517 -42.717 14.476 -6.85808 53.4424 -42.6343 56.3367 3.7043 TIMING: 1322800 CPU: 3944.04, 0.00298503/step Wall: 3944.04, 0.00298503/step, 3.04904 hours remaining, 207.792969 MB of memory in use. ENERGY: 1322800 761.5497 2132.7953 1888.5548 114.0027 -205945.9192 17743.4274 0.0000 0.0000 34505.3356 -148800.2538 301.3437 -183305.5893 -148701.5740 300.2904 -23.0543 9.3824 557853.8680 4.0100 3.8489 PRESSURE: 1323000 -50.9108 25.7748 85.9227 25.774 -158.856 -53.4664 85.924 -53.4675 56.5177 GPRESSURE: 1323000 29.3723 84.8652 67.2759 47.0936 -110.235 44.3644 100.141 -67.9305 31.0536 PRESSAVG: 1323000 10.7837 37.2085 -44.0523 37.2085 -29.5629 17.9233 -44.0522 17.9233 -1.41019 GPRESSAVG: 1323000 11.2702 36.7645 -43.781 39.1466 -29.7141 19.0409 -46.2964 18.2399 -1.74677 TIMING: 1323000 CPU: 3944.64, 0.00299087/step Wall: 3944.64, 0.00299087/step, 3.05485 hours remaining, 207.792969 MB of memory in use. ENERGY: 1323000 740.3087 2057.6369 1925.0834 116.2080 -205614.7294 17619.1199 0.0000 0.0000 34099.2688 -149057.1039 297.7974 -183156.3726 -148961.3819 299.7628 -51.0829 -16.6032 558045.3270 -6.7298 -6.7302 PRESSURE: 1323200 167.822 27.0721 46.3853 27.0724 152.318 60.9901 46.3863 60.9905 -39.8957 GPRESSURE: 1323200 184.615 10.1751 19.3452 37.5009 146.133 -26.6375 44.3133 103.422 51.3741 PRESSAVG: 1323200 69.4823 24.0217 9.63322 24.0218 -31.0279 -15.0469 9.63324 -15.0469 -82.7734 GPRESSAVG: 1323200 68.5983 24.1721 8.92491 22.0326 -30.3238 -15.9163 11.6605 -13.3398 -82.345 TIMING: 1323200 CPU: 3945.23, 0.0029801/step Wall: 3945.23, 0.0029801/step, 3.04368 hours remaining, 207.792969 MB of memory in use. ENERGY: 1323200 741.2138 2122.0000 1930.3140 119.6130 -206276.7750 18038.5486 0.0000 0.0000 34192.2973 -149132.7882 298.6098 -183325.0855 -149045.2654 299.4594 93.4147 127.3740 556825.4114 -14.7730 -14.6902 PRESSURE: 1323400 -27.2776 30.1216 58.5338 30.1214 -78.6057 123.052 58.5342 123.052 -87.497 GPRESSURE: 1323400 12.1524 -28.9937 41.3333 56.1411 -65.0769 200.732 43.406 78.2544 -36.5134 PRESSAVG: 1323400 13.4376 -33.819 -9.71403 -33.8189 19.814 66.5769 -9.71407 66.5768 -28.5462 GPRESSAVG: 1323400 15.134 -33.9675 -8.69087 -36.3082 18.7742 67.8585 -9.70367 62.8899 -29.1092 TIMING: 1323400 CPU: 3945.84, 0.00301039/step Wall: 3945.84, 0.00301039/step, 3.07444 hours remaining, 207.792969 MB of memory in use. ENERGY: 1323400 733.2078 2117.2257 1925.9001 109.6308 -205811.9340 17501.1284 0.0000 0.0000 34466.5699 -148958.2713 301.0051 -183424.8412 -148857.8804 299.6269 -64.4601 -29.8126 558003.0363 1.5685 1.5997 PRESSURE: 1323600 -195.75 16.0023 79.712 16.0012 5.05568 -13.3573 79.7117 -13.3557 -56.1525 GPRESSURE: 1323600 -141.03 65.0565 86.4244 -65.9079 5.60151 132.718 128.762 -75.3291 -28.7174 PRESSAVG: 1323600 -5.06488 -41.8992 16.194 -41.8992 59.4481 3.68358 16.194 3.68365 -33.3065 GPRESSAVG: 1323600 -6.06983 -42.0008 16.162 -40.038 61.0314 2.87546 16.9603 3.25125 -33.5583 TIMING: 1323600 CPU: 3946.43, 0.00297789/step Wall: 3946.43, 0.00297789/step, 3.04109 hours remaining, 207.792969 MB of memory in use. ENERGY: 1323600 773.3076 2130.5000 1930.0976 115.8440 -206182.4935 17846.7371 0.0000 0.0000 34351.0016 -149035.0055 299.9958 -183386.0071 -148942.5459 299.9075 -82.2822 -54.7152 558040.8624 7.0256 7.1344 PRESSURE: 1323800 -428.936 64.3887 38.091 64.3884 -152.536 93.8573 38.0926 93.8577 -238.18 GPRESSURE: 1323800 -384.515 59.7919 71.6197 91.561 -74.8029 98.5941 42.6509 193.716 -263.94 PRESSAVG: 1323800 40.9431 77.533 35.8075 77.5331 32.535 14.6669 35.8075 14.6669 -109.397 GPRESSAVG: 1323800 41.0495 76.7244 35.4125 78.4807 31.8823 13.8722 34.3743 15.8622 -109.057 TIMING: 1323800 CPU: 3947.03, 0.00299361/step Wall: 3947.03, 0.00299361/step, 3.05697 hours remaining, 207.792969 MB of memory in use. ENERGY: 1323800 744.8939 2114.8765 1903.8823 104.8746 -205663.8357 17395.3228 0.0000 0.0000 34196.0055 -149203.9801 298.6422 -183399.9856 -149104.7688 299.4045 -273.2176 -241.0860 558407.5072 -11.9729 -12.0416 PRESSURE: 1324000 -75.5849 61.0504 -58.049 61.0485 -70.5065 -82.2596 -58.0495 -82.2589 189.04 GPRESSURE: 1324000 -36.2806 155.58 -121.133 19.4077 -41.8593 -17.1693 -14.0488 -123.97 211.923 PRESSAVG: 1324000 0.216644 6.34329 -14.8327 6.34336 23.9584 18.6416 -14.8327 18.6417 -38.6585 GPRESSAVG: 1324000 0.482544 6.827 -14.9077 6.48321 23.8424 18.3172 -12.8913 19.448 -38.5971 TIMING: 1324000 CPU: 3947.63, 0.00299961/step Wall: 3947.63, 0.00299961/step, 3.06293 hours remaining, 207.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1324000 722.3547 2129.8746 1933.7324 99.0358 -206149.5068 17733.7336 0.0000 0.0000 34318.8387 -149211.9370 299.7150 -183530.7756 -149107.0853 299.4909 14.3161 44.5944 556782.5564 -4.8278 -4.7574 PRESSURE: 1324200 -188.25 41.2246 -72.0183 41.2252 -418.23 -19.468 -72.0178 -19.4694 -362.498 GPRESSURE: 1324200 -168.103 33.3879 -44.9617 6.48088 -372.123 -66.9468 -16.3278 28.5417 -332.084 PRESSAVG: 1324200 11.9094 19.4136 0.468215 19.4136 57.1406 -17.4557 0.468217 -17.4556 -14.6595 GPRESSAVG: 1324200 11.6743 19.5506 2.14331 20.1589 57.2563 -16.9513 -2.23253 -17.494 -13.968 TIMING: 1324200 CPU: 3948.23, 0.00298945/step Wall: 3948.23, 0.00298945/step, 3.05239 hours remaining, 207.792969 MB of memory in use. ENERGY: 1324200 764.1087 2127.3249 1922.5856 115.0757 -205787.0629 17367.8289 0.0000 0.0000 34323.5716 -149166.5675 299.7563 -183490.1391 -149068.5281 299.8255 -322.9927 -290.7699 559094.0532 18.1302 18.3209 LDB: ============= START OF LOAD BALANCING ============== 3951.77 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3951.77 LDB: =============== DONE WITH MIGRATION ================ 3951.78 LDB: ============= START OF LOAD BALANCING ============== 3952.07 LDB: Largest compute 4774 load 0.026253 is 22.2% of average load 0.118244 LDB: Average compute 0.001724 is 1.5% of average load 0.118244 LDB: TIME 3952.08 LOAD: AVG 0.118244 MAX 0.21368 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.801 MB LDB: TIME 3952.08 LOAD: AVG 0.118244 MAX 0.21368 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.844 MB LDB: TIME 3952.08 LOAD: AVG 0.118244 MAX 0.21368 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.844 MB LDB: ============== END OF LOAD BALANCING =============== 3952.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3952.08 PRESSURE: 1324400 303.912 -11.5472 7.94067 -11.5477 194.727 -94.7701 7.9397 -94.7697 131.66 GPRESSURE: 1324400 331.899 -76.5015 88.4838 -49.2769 192.006 -110.858 -55.6454 -47.5003 199.949 PRESSAVG: 1324400 59.5608 27.1239 -2.0384 27.124 -20.7037 -36.9919 -2.03846 -36.9919 -52.7592 GPRESSAVG: 1324400 59.7041 26.5077 -3.29611 26.122 -21.8779 -36.7313 -3.03457 -37.7757 -51.6083 TIMING: 1324400 CPU: 3948.83, 0.00302795/step Wall: 3948.83, 0.00302795/step, 3.09153 hours remaining, 207.792969 MB of memory in use. ENERGY: 1324400 760.6702 2158.5209 1954.1387 113.7879 -206293.1621 17942.9071 0.0000 0.0000 34363.6292 -148999.5081 300.1061 -183363.1373 -148900.6937 300.1313 210.0998 241.2847 556975.0417 -4.6341 -4.5940 PRESSURE: 1324600 13.0609 -4.58635 -61.9963 -4.58738 -5.78732 37.2879 -61.9968 37.2879 272.927 GPRESSURE: 1324600 47.8849 -13.4609 -2.69357 -64.6225 -5.80364 33.5033 -110.082 27.8492 339.876 PRESSAVG: 1324600 -19.8823 -8.18006 -18.8003 -8.1801 -40.3873 36.8369 -18.8001 36.8369 24.4384 GPRESSAVG: 1324600 -19.5817 -7.57705 -21.1634 -10.4015 -39.2787 35.3996 -16.0154 37.2968 23.2598 TIMING: 1324600 CPU: 3949.43, 0.00298503/step Wall: 3949.43, 0.00298503/step, 3.04755 hours remaining, 207.996094 MB of memory in use. ENERGY: 1324600 739.9660 2058.4155 1934.2487 105.6905 -206274.0450 18032.2019 0.0000 0.0000 34243.8892 -149159.6332 299.0604 -183403.5223 -149055.5068 299.8578 93.4002 127.3191 558349.9948 -11.9437 -11.8669 PRESSURE: 1324800 -162.132 -55.9545 -24.5335 -55.9547 60.6814 -4.49423 -24.5351 -4.49459 -156.749 GPRESSURE: 1324800 -142.751 -41.1879 -65.4789 -91.0618 109.889 -8.8513 37.7215 73.1536 -124.513 PRESSAVG: 1324800 -15.7404 -34.6395 -1.67685 -34.6395 -6.17526 4.02899 -1.67689 4.02903 60.5686 GPRESSAVG: 1324800 -16.5214 -34.6126 -0.0469211 -33.8864 -5.61377 5.1433 -2.95617 6.13278 61.3797 TIMING: 1324800 CPU: 3950.03, 0.00298809/step Wall: 3950.03, 0.00298809/step, 3.0505 hours remaining, 207.996094 MB of memory in use. ENERGY: 1324800 736.9854 2133.8151 1953.2861 119.4393 -206263.3873 17783.3567 0.0000 0.0000 34322.0106 -149214.4941 299.7427 -183536.5047 -149112.9705 299.6364 -86.0666 -52.4582 557256.5346 12.8843 13.0815 PRESSURE: 1325000 103.438 190.338 81.2341 190.338 -39.1943 22.8371 81.2344 22.8373 -82.6498 GPRESSURE: 1325000 141.035 178.927 123.34 170.84 -22.7835 125.173 75.2359 26.2397 -34.9002 PRESSAVG: 1325000 23.8208 -1.19085 -25.9508 -1.19094 25.5128 2.43418 -25.9509 2.43427 -9.16403 GPRESSAVG: 1325000 24.9168 0.307171 -26.4847 0.00592374 25.0802 3.27629 -25.7293 -0.866976 -9.99464 TIMING: 1325000 CPU: 3950.63, 0.0029981/step Wall: 3950.63, 0.0029981/step, 3.06056 hours remaining, 207.996094 MB of memory in use. ENERGY: 1325000 769.3835 2130.2843 1943.4800 127.6371 -206684.4764 18070.9099 0.0000 0.0000 34530.5432 -149112.2385 301.5638 -183642.7817 -149017.6946 300.2247 -6.1355 27.7837 556280.3759 13.3899 13.3341 PRESSURE: 1325200 6.9134 -51.9346 47.0529 -51.9343 -11.841 174.148 47.0545 174.147 49.106 GPRESSURE: 1325200 -0.288905 -134.571 -72.1579 62.7262 26.5996 156.586 104.811 229.686 120.696 PRESSAVG: 1325200 28.721 37.1596 6.8901 37.1595 -48.372 26.9786 6.88999 26.9786 43.0257 GPRESSAVG: 1325200 27.9113 37.6834 5.65656 35.5416 -48.4559 23.7477 8.81251 30.1749 44.1678 TIMING: 1325200 CPU: 3951.22, 0.00298514/step Wall: 3951.22, 0.00298514/step, 3.04716 hours remaining, 207.996094 MB of memory in use. ENERGY: 1325200 781.2451 2086.1496 1934.9586 122.9806 -206249.0455 17905.6825 0.0000 0.0000 34421.2782 -148996.7508 300.6096 -183418.0290 -148896.7767 301.0084 14.7261 49.0023 556257.0120 7.7916 7.8744 PRESSURE: 1325400 -122.961 98.5992 79.8357 98.5978 -331.66 -136.601 79.8351 -136.601 -21.4489 GPRESSURE: 1325400 -130.158 119.268 80.3347 139.956 -276.704 -33.6323 47.1656 -153.068 22.2304 PRESSAVG: 1325400 -14.8157 -13.7351 -21.1196 -13.7352 -11.9278 6.19786 -21.1196 6.19788 29.9368 GPRESSAVG: 1325400 -15.0004 -17.0155 -17.3039 -12.361 -12.3231 8.56251 -24.2839 6.07514 31.1909 TIMING: 1325400 CPU: 3951.83, 0.00300474/step Wall: 3951.83, 0.00300474/step, 3.067 hours remaining, 207.996094 MB of memory in use. ENERGY: 1325400 765.3695 2083.7905 1943.0247 124.7468 -206057.0354 17613.6050 0.0000 0.0000 34415.5474 -149110.9515 300.5595 -183526.4989 -149012.7031 300.1346 -158.6900 -128.2106 556856.5686 1.0644 1.2891 PRESSURE: 1325600 -118.906 8.74693 115.232 8.74768 88.6245 102.252 115.231 102.253 -341.723 GPRESSURE: 1325600 -46.1781 -11.8887 198.71 -49.5759 120.104 45.9294 -44.0265 179.938 -352.962 PRESSAVG: 1325600 31.2685 -14.7807 -39.2143 -14.7805 -58.3691 18.1912 -39.2143 18.1912 35.4261 GPRESSAVG: 1325600 31.787 -14.3035 -39.878 -15.0367 -57.2748 18.4719 -37.4472 17.0234 34.2523 TIMING: 1325600 CPU: 3952.43, 0.00300225/step Wall: 3952.43, 0.00300225/step, 3.06429 hours remaining, 207.996094 MB of memory in use. ENERGY: 1325600 768.5761 2153.3898 1937.3149 100.8242 -205963.3677 17572.6369 0.0000 0.0000 34171.6919 -149258.9340 298.4299 -183430.6259 -149161.3549 299.6952 -124.0017 -93.0118 556223.3258 2.7752 2.9215 PRESSURE: 1325800 -70.6373 53.0022 24.9309 53.0027 -144.152 -62.9378 24.9301 -62.9382 -318.325 GPRESSURE: 1325800 -42.2313 48.5505 31.1606 30.5773 -140.676 -83.2542 31.133 -30.8395 -255.671 PRESSAVG: 1325800 -51.796 -29.5821 4.55602 -29.5821 79.2522 -0.956926 4.55613 -0.956909 -8.35094 GPRESSAVG: 1325800 -51.6802 -25.4076 1.77444 -31.3236 79.2969 -2.09506 5.10203 -2.50243 -8.30782 TIMING: 1325800 CPU: 3953.03, 0.0030202/step Wall: 3953.03, 0.0030202/step, 3.08245 hours remaining, 207.996094 MB of memory in use. ENERGY: 1325800 763.2568 2086.1156 1930.3162 117.8476 -206014.5131 17527.7844 0.0000 0.0000 34254.5306 -149334.6619 299.1533 -183589.1925 -149233.1055 299.2906 -177.7046 -146.1931 556662.2107 6.3684 6.4363 PRESSURE: 1326000 -203.615 65.9464 51.9054 65.9458 130.395 -67.3997 51.9045 -67.3995 -54.7706 GPRESSURE: 1326000 -176.642 59.2092 46.6911 51.7986 211.899 -98.2529 -30.0762 -88.1224 -51.4575 PRESSAVG: 1326000 -27.8794 19.3169 11.6363 19.3168 48.4192 0.0615515 11.6363 0.0615212 10.0461 GPRESSAVG: 1326000 -28.1319 16.2248 12.3338 21.2741 48.2545 0.736174 11.268 1.09434 10.5427 TIMING: 1326000 CPU: 3953.63, 0.00300237/step Wall: 3953.63, 0.00300237/step, 3.06409 hours remaining, 207.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1326000 760.0003 2115.8513 1922.7177 109.4153 -206290.3351 17769.7638 0.0000 0.0000 34104.3990 -149508.1877 297.8422 -183612.5867 -149415.5865 299.2235 -42.6638 -5.4002 557726.8020 10.1953 10.2218 PRESSURE: 1326200 -135.313 -94.1361 93.483 -94.134 -277.594 20.8081 93.4843 20.8086 223.826 GPRESSURE: 1326200 -139.26 -118.521 66.9455 -91.0886 -185.22 79.1753 112.812 -70.79 219.708 PRESSAVG: 1326200 -1.87259 -40.9465 26.3486 -40.9465 21.6813 -35.3231 26.3486 -35.3229 15.7897 GPRESSAVG: 1326200 -1.36709 -41.8381 27.0201 -41.6744 22.9448 -35.6899 26.1891 -35.9775 15.1596 TIMING: 1326200 CPU: 3954.23, 0.00298823/step Wall: 3954.23, 0.00298823/step, 3.04949 hours remaining, 207.996094 MB of memory in use. ENERGY: 1326200 742.0309 2093.1303 1942.8217 114.8439 -206200.4107 17756.5470 0.0000 0.0000 34021.7298 -149529.3070 297.1202 -183551.0368 -149430.3492 298.0354 -63.0269 -34.9236 558158.1072 11.8661 12.2458 PRESSURE: 1326400 -200 -60.9291 136.519 -60.93 47.8737 -131.052 136.52 -131.051 164.955 GPRESSURE: 1326400 -137.651 17.0501 108.193 -32.8492 13.8068 -153.184 147.635 -160.79 227.21 PRESSAVG: 1326400 -33.2031 29.164 -41.265 29.164 62.0852 -6.04533 -41.2649 -6.04533 -15.1043 GPRESSAVG: 1326400 -32.9586 31.3588 -44.2611 28.7414 62.8881 -6.67297 -41.2422 -4.96116 -16.1923 TIMING: 1326400 CPU: 3954.83, 0.00299549/step Wall: 3954.83, 0.00299549/step, 3.05673 hours remaining, 207.996094 MB of memory in use. ENERGY: 1326400 746.0026 2125.6230 1916.8123 106.7448 -206555.8048 17811.5111 0.0000 0.0000 34135.1607 -149713.9504 298.1108 -183849.1111 -149620.8766 298.6557 4.2764 34.4550 556632.1832 4.5926 4.5790 PRESSURE: 1326600 4.33618 22.8486 -25.7406 22.8486 101.605 -14.5602 -25.7399 -14.56 176.101 GPRESSURE: 1326600 19.5754 -1.20469 -77.7078 47.9109 127.944 -18.4236 -5.57955 -53.3351 222.224 PRESSAVG: 1326600 -22.226 58.0756 27.3321 58.0755 42.0763 -20.0693 27.3321 -20.0693 -18.9142 GPRESSAVG: 1326600 -22.4499 56.9892 29.2573 57.1287 40.9518 -19.095 25.9028 -20.0457 -18.3551 TIMING: 1326600 CPU: 3955.43, 0.00299786/step Wall: 3955.43, 0.00299786/step, 3.05899 hours remaining, 207.996094 MB of memory in use. ENERGY: 1326600 750.4051 2093.7278 1960.8913 116.0909 -206559.9214 17988.5554 0.0000 0.0000 34022.6785 -149627.5725 297.1285 -183650.2509 -149530.7168 298.0773 94.0140 123.2477 555532.0412 0.3120 0.0489 PRESSURE: 1326800 -240.802 57.266 -5.04933 57.2672 -40.2994 181.26 -5.04717 181.26 67.1624 GPRESSURE: 1326800 -213.961 -3.73076 -120.264 104.119 18.7282 271.164 22.8005 112.826 88.701 PRESSAVG: 1326800 -16.0495 -5.23811 -9.00857 -5.23805 -31.6323 -21.1722 -9.00855 -21.1721 76.876 GPRESSAVG: 1326800 -16.2011 -5.34241 -8.45829 -4.50044 -30.882 -20.0998 -8.40337 -23.5559 76.7341 TIMING: 1326800 CPU: 3956.02, 0.00296171/step Wall: 3956.02, 0.00296171/step, 3.02193 hours remaining, 207.996094 MB of memory in use. ENERGY: 1326800 764.8279 2091.2461 1943.1498 117.4449 -206479.9491 17781.8133 0.0000 0.0000 34173.8824 -149607.5848 298.4490 -183781.4672 -149513.5618 298.9873 -71.3132 -35.5107 555840.3641 9.7314 9.8837 PRESSURE: 1327000 -247.818 -81.2962 70.4677 -81.2967 -94.4068 186.922 70.4669 186.921 -125.383 GPRESSURE: 1327000 -208.262 -40.4944 42.8848 -158.563 -70.3425 126.096 101.773 214.766 -86.8607 PRESSAVG: 1327000 -45.0009 -1.59145 -34.014 -1.59135 1.59646 35.5667 -34.0139 35.5667 10.6589 GPRESSAVG: 1327000 -45.3562 -2.95479 -33.9101 -0.618849 1.51271 34.1079 -30.8191 37.8529 10.7622 TIMING: 1327000 CPU: 3956.62, 0.00300011/step Wall: 3956.62, 0.00300011/step, 3.06095 hours remaining, 207.996094 MB of memory in use. ENERGY: 1327000 752.0205 2087.9654 1933.9556 112.5779 -206453.7152 17740.9934 0.0000 0.0000 34332.3325 -149493.8699 299.8328 -183826.2025 -149391.4338 299.1151 -155.8692 -121.8218 556989.9325 -10.9152 -11.0271 PRESSURE: 1327200 185.435 161.891 -57.8872 161.892 -103.056 -44.8299 -57.8875 -44.8311 127.728 GPRESSURE: 1327200 204.764 94.2165 -16.4237 151.256 -37.159 16.8657 -24.0471 -63.5633 137.345 PRESSAVG: 1327200 -11.3839 12.746 -27.5177 12.746 25.0019 -29.2677 -27.5178 -29.2676 -1.2621 GPRESSAVG: 1327200 -10.7942 12.759 -25.4227 12.3254 23.7563 -28.6014 -31.3561 -27.16 -1.28845 TIMING: 1327200 CPU: 3957.23, 0.00305601/step Wall: 3957.23, 0.00305601/step, 3.11781 hours remaining, 207.996094 MB of memory in use. ENERGY: 1327200 731.4620 2061.7803 1935.2246 122.1688 -206657.3460 17993.0894 0.0000 0.0000 34231.1604 -149582.4605 298.9492 -183813.6209 -149484.6990 299.4621 70.0356 101.6500 555506.7933 4.1186 3.8912 PRESSURE: 1327400 -330.783 171.12 91.1854 171.12 -294.389 -82.9899 91.1858 -82.9909 -172.631 GPRESSURE: 1327400 -281.679 197.55 77.1732 127.319 -215.442 -5.33125 73.8745 -192.64 -195.268 PRESSAVG: 1327400 -62.7448 7.001 -47.2711 7.00093 -36.5144 -49.7636 -47.2711 -49.7636 45.2593 GPRESSAVG: 1327400 -63.3792 8.37118 -48.7303 8.61618 -35.5372 -48.5991 -44.621 -52.3502 44.6944 TIMING: 1327400 CPU: 3957.83, 0.00298085/step Wall: 3957.83, 0.00298085/step, 3.04096 hours remaining, 207.996094 MB of memory in use. ENERGY: 1327400 791.9062 2077.1692 1938.5995 118.5430 -206300.3420 17584.4193 0.0000 0.0000 34263.6443 -149526.0605 299.2329 -183789.7048 -149433.8699 299.0217 -265.9340 -230.7967 557546.8548 -17.9999 -18.0740 PRESSURE: 1327600 103.25 110.117 -56.5354 110.118 39.6247 25.8166 -56.536 25.8159 -208.097 GPRESSURE: 1327600 65.8539 167.013 32.5335 32.3358 108.651 -8.64815 -51.9068 75.7814 -158.293 PRESSAVG: 1327600 23.8487 -3.30839 -3.94924 -3.30839 6.51249 37.436 -3.94925 37.4359 -8.36328 GPRESSAVG: 1327600 25.2649 -4.90229 -3.21795 -4.21986 6.51521 37.4782 -5.28121 36.7368 -9.79715 TIMING: 1327600 CPU: 3958.42, 0.00299269/step Wall: 3958.42, 0.00299269/step, 3.05288 hours remaining, 207.996094 MB of memory in use. ENERGY: 1327600 752.2915 2122.0065 1917.2552 105.7764 -206670.4670 17932.4790 0.0000 0.0000 34404.9268 -149435.7316 300.4668 -183840.6583 -149338.7354 298.8916 -21.7407 5.4037 556179.9023 7.3327 7.3276 PRESSURE: 1327800 134.601 -24.4219 -24.5021 -24.4227 -175.105 115.755 -24.5008 115.754 -6.45976 GPRESSURE: 1327800 235.756 -12.3684 -119.012 -84.4805 -171.871 91.2138 -17.9899 149.496 -5.01676 PRESSAVG: 1327800 31.1926 -36.759 -72.158 -36.759 40.1352 -0.375905 -72.158 -0.375764 -104.431 GPRESSAVG: 1327800 31.1634 -35.0688 -73.7983 -36.2353 39.8176 -3.00937 -73.1175 2.61014 -103.579 TIMING: 1327800 CPU: 3959.02, 0.00297629/step Wall: 3959.02, 0.00297629/step, 3.03598 hours remaining, 207.996094 MB of memory in use. ENERGY: 1327800 740.5734 2073.9942 1911.8331 108.2354 -206452.7250 17870.7932 0.0000 0.0000 34209.7608 -149537.5349 298.7623 -183747.2957 -149437.6672 298.7173 -15.6546 19.6226 556328.4588 -11.0343 -10.8660 PRESSURE: 1328000 30.9075 75.3924 -136.068 75.3932 -45.636 -64.8284 -136.067 -64.8292 -177.503 GPRESSURE: 1328000 106.547 136.918 -55.778 15.6121 -79.6997 -44.754 -173.968 -130.462 -110.729 PRESSAVG: 1328000 50.2374 14.8547 -55.0276 14.8548 16.3883 39.1516 -55.0276 39.1515 -85.0014 GPRESSAVG: 1328000 49.4924 15.2283 -55.1442 12.9814 16.3389 40.9477 -53.2918 37.5556 -84.3329 TIMING: 1328000 CPU: 3959.62, 0.0029876/step Wall: 3959.62, 0.0029876/step, 3.04736 hours remaining, 207.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1328000 731.1968 2123.0506 1921.8157 130.2723 -206263.7923 17827.9762 0.0000 0.0000 34051.9414 -149477.5393 297.3841 -183529.4807 -149387.8902 298.9950 -64.0770 -27.9605 557361.6104 -6.1253 -6.1672 PRESSURE: 1328200 -137.222 -60.2538 130.706 -60.2527 65.7806 -4.2943 130.707 -4.29474 4.95348 GPRESSURE: 1328200 -87.113 -94.8963 111.447 -33.6345 57.4172 39.3031 112.376 -36.9864 58.8267 PRESSAVG: 1328200 3.95449 29.5971 27.7273 29.5971 12.5706 -2.23501 27.7273 -2.23508 -26.5325 GPRESSAVG: 1328200 5.01431 26.7083 28.3998 33.3027 11.5257 -3.29967 28.449 -2.96614 -26.9831 TIMING: 1328200 CPU: 3960.22, 0.0030186/step Wall: 3960.22, 0.0030186/step, 3.0788 hours remaining, 207.996094 MB of memory in use. ENERGY: 1328200 757.4403 2092.8598 1900.8279 111.4826 -206437.8329 17903.0891 0.0000 0.0000 34093.0208 -149579.1124 297.7428 -183672.1332 -149484.6668 298.6347 -22.1626 9.7103 556316.5862 -3.3358 -3.4810 LDB: ============= START OF LOAD BALANCING ============== 3963.77 LDB: ============== END OF LOAD BALANCING =============== 3963.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3963.77 LDB: ============= START OF LOAD BALANCING ============== 3964.07 LDB: Largest compute 4774 load 0.026550 is 22.5% of average load 0.118161 LDB: Average compute 0.001720 is 1.5% of average load 0.118161 LDB: TIME 3964.08 LOAD: AVG 0.118161 MAX 0.21072 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.082 MB LDB: TIME 3964.08 LOAD: AVG 0.118161 MAX 0.21072 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.082 MB LDB: TIME 3964.08 LOAD: AVG 0.118161 MAX 0.21072 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.082 MB LDB: ============== END OF LOAD BALANCING =============== 3964.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3964.08 PRESSURE: 1328400 10.89 -32.4207 -117.464 -32.4204 -89.6181 -17.1129 -117.464 -17.1119 -223.902 GPRESSURE: 1328400 56.4663 8.06808 -129.689 -6.94444 -61.3335 -86.7051 -59.2949 54.6239 -211.504 PRESSAVG: 1328400 -25.8392 0.28534 -5.34237 0.285334 30.6768 3.45334 -5.34237 3.45341 13.5917 GPRESSAVG: 1328400 -26.7721 4.55731 -3.99976 -2.55898 31.2695 1.42629 -7.69619 6.55862 13.6672 TIMING: 1328400 CPU: 3960.83, 0.00305454/step Wall: 3960.83, 0.00305454/step, 3.11529 hours remaining, 208.765625 MB of memory in use. ENERGY: 1328400 754.7767 2142.1627 1922.2845 126.0730 -206241.8277 17541.5672 0.0000 0.0000 34156.8783 -149598.0853 298.3005 -183754.9636 -149502.8550 298.0880 -100.8768 -72.1236 556293.9429 6.1431 6.0549 PRESSURE: 1328600 185.903 1.48145 -86.5244 1.48189 9.29802 -153.049 -86.5247 -153.049 18.9548 GPRESSURE: 1328600 185.282 32.6208 -98.8963 -12.3273 35.9991 -179.578 -34.2996 -150.19 100.665 PRESSAVG: 1328600 -34.6249 -6.61962 -17.1122 -6.61962 85.0717 56.7174 -17.1122 56.7175 -23.5337 GPRESSAVG: 1328600 -34.9433 -8.73575 -17.6416 -4.8824 85.7817 58.7255 -16.6607 54.3142 -24.2954 TIMING: 1328600 CPU: 3961.44, 0.00301433/step Wall: 3961.44, 0.00301433/step, 3.07412 hours remaining, 208.765625 MB of memory in use. ENERGY: 1328600 745.8023 2060.7172 1937.2645 110.8784 -206497.8663 17843.1795 0.0000 0.0000 34258.9717 -149541.0527 299.1921 -183800.0245 -149452.0496 297.9300 71.3854 107.3154 555908.3052 8.9710 8.8476 PRESSURE: 1328800 -109.629 217.926 -73.7379 217.925 -91.8863 -100.705 -73.7379 -100.704 -116.568 GPRESSURE: 1328800 -20.0009 161.557 -45.3108 147.465 -35.1356 -22.3852 -41.8724 -89.4568 -164.044 PRESSAVG: 1328800 -2.3734 -6.41078 13.6239 -6.41084 -11.307 19.4274 13.6239 19.4274 27.5861 GPRESSAVG: 1328800 -2.41465 -5.3652 13.8529 -7.37712 -12.7416 18.7509 14.1719 20.4175 28.3351 TIMING: 1328800 CPU: 3962.04, 0.00302535/step Wall: 3962.04, 0.00302535/step, 3.08519 hours remaining, 208.765625 MB of memory in use. ENERGY: 1328800 697.3962 2090.6569 1947.3948 112.8619 -206005.4822 17476.7039 0.0000 0.0000 34237.8069 -149442.6617 299.0073 -183680.4685 -149343.0333 299.6817 -106.0276 -73.0600 554787.5297 4.6352 4.3930 PRESSURE: 1329000 -177.25 79.0589 81.862 79.0584 93.8826 164.576 81.8615 164.575 30.8762 GPRESSURE: 1329000 -129.369 90.8048 52.6717 47.2428 132.37 46.8482 75.616 160.676 25.6592 PRESSAVG: 1329000 -61.4129 10.5237 -24.8919 10.5237 67.0608 -7.5731 -24.8919 -7.57305 -8.76395 GPRESSAVG: 1329000 -60.8407 9.21167 -24.535 10.69 67.3864 -8.21558 -23.3736 -7.15091 -9.38329 TIMING: 1329000 CPU: 3962.64, 0.00300957/step Wall: 3962.64, 0.00300957/step, 3.06893 hours remaining, 208.765625 MB of memory in use. ENERGY: 1329000 732.0526 2128.2025 1911.8107 116.5968 -205978.9756 17604.6253 0.0000 0.0000 33963.9769 -149521.7109 296.6159 -183485.6878 -149426.6281 298.9442 -17.4971 9.5536 556853.0082 -1.0387 -0.9459 PRESSURE: 1329200 -142.595 -27.8234 124.205 -27.825 235.146 -128.23 124.204 -128.229 -111.052 GPRESSURE: 1329200 -71.429 -58.9416 182.778 11.7184 210.026 -168.498 37.4894 5.06242 -53.7419 PRESSAVG: 1329200 33.707 -64.4417 31.0902 -64.4418 65.9653 10.2399 31.09 10.2399 -67.6037 GPRESSAVG: 1329200 32.5796 -63.7824 30.9591 -64.0436 65.6541 10.8327 30.4243 10.4615 -66.6361 TIMING: 1329200 CPU: 3963.25, 0.00301678/step Wall: 3963.25, 0.00301678/step, 3.07611 hours remaining, 208.765625 MB of memory in use. ENERGY: 1329200 738.8368 2044.5544 1933.6159 107.0342 -206096.6324 17572.7405 0.0000 0.0000 34286.6796 -149413.1710 299.4341 -183699.8506 -149312.7710 298.9441 -6.1668 28.2849 556922.4344 10.6895 10.5325 PRESSURE: 1329400 62.0452 17.0223 -24.7776 17.0219 223.807 -40.2995 -24.7786 -40.2993 19.6642 GPRESSURE: 1329400 121.222 11.7659 82.3224 -27.6938 240.202 -65.0981 -39.1855 26.9792 29.0657 PRESSAVG: 1329400 -13.4393 -14.1194 42.0691 -14.1194 69.7118 13.6983 42.0691 13.6983 -83.1529 GPRESSAVG: 1329400 -11.669 -14.684 40.7102 -16.0309 68.6215 15.1292 42.0819 12.3641 -83.9195 TIMING: 1329400 CPU: 3963.85, 0.00304247/step Wall: 3963.85, 0.00304247/step, 3.10214 hours remaining, 208.765625 MB of memory in use. ENERGY: 1329400 685.1643 2140.2245 1926.6424 106.0625 -206397.5397 17837.3759 0.0000 0.0000 34460.5922 -149241.4781 300.9529 -183702.0703 -149140.9233 299.2092 101.8386 130.1632 557366.1109 -8.9601 -8.9890 PRESSURE: 1329600 -119.753 74.5468 -7.92178 74.5469 -93.448 -181.903 -7.92138 -181.903 91.2604 GPRESSURE: 1329600 -67.4977 73.6588 -89.2854 108.674 -79.9472 -258.737 40.6282 -163.128 117.346 PRESSAVG: 1329600 35.1174 -2.79134 4.86637 -2.79127 7.39352 -6.29716 4.86643 -6.29706 -31.4397 GPRESSAVG: 1329600 34.6344 -1.17996 5.16161 -2.48566 8.68341 -7.36872 4.99956 -6.42716 -32.3708 TIMING: 1329600 CPU: 3964.46, 0.00303373/step Wall: 3964.46, 0.00303373/step, 3.09306 hours remaining, 208.765625 MB of memory in use. ENERGY: 1329600 757.6905 2069.3720 1932.6444 106.9657 -206243.5204 17872.7894 0.0000 0.0000 34380.9249 -149123.1336 300.2572 -183504.0585 -149019.4415 299.7244 -40.6468 -10.0330 557665.3058 3.6904 3.6490 PRESSURE: 1329800 -238.152 96.3458 -178.377 96.3463 -22.8548 82.9426 -178.378 82.9423 -187.479 GPRESSURE: 1329800 -223.882 214.823 -195.123 137.693 14.2828 85.0646 -253.061 57.326 -141.696 PRESSAVG: 1329800 -0.808148 -11.911 -17.69 -11.9111 -70.4884 -19.1747 -17.69 -19.1746 25.395 GPRESSAVG: 1329800 -1.87292 -10.4187 -19.0108 -12.5137 -69.3226 -17.9715 -17.5929 -18.8804 25.2554 TIMING: 1329800 CPU: 3965.07, 0.00303108/step Wall: 3965.07, 0.00303108/step, 3.09018 hours remaining, 208.765625 MB of memory in use. ENERGY: 1329800 768.1086 2104.5322 1936.9173 111.1644 -206007.4334 17756.0851 0.0000 0.0000 34259.1170 -149071.5087 299.1934 -183330.6258 -148978.7297 299.4593 -149.4952 -117.0984 557389.2820 -15.3005 -15.3134 PRESSURE: 1330000 109.024 226.915 -22.1583 226.916 107.019 -19.2178 -22.1582 -19.2168 -21.7177 GPRESSURE: 1330000 107.247 162.671 -32.3758 93.9766 148.341 -42.8705 -115.908 -5.07907 29.4783 PRESSAVG: 1330000 13.6047 48.8514 -18.6524 48.8513 -14.3638 -0.859584 -18.6524 -0.859548 29.4501 GPRESSAVG: 1330000 13.3277 45.245 -17.8947 51.5195 -15.1561 -0.462538 -19.163 -1.46298 29.8823 TIMING: 1330000 CPU: 3965.67, 0.00300678/step Wall: 3965.67, 0.00300678/step, 3.06524 hours remaining, 208.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1330000 733.6895 2115.4272 1939.9342 105.4639 -206223.6566 17999.8073 0.0000 0.0000 34296.7539 -149032.5806 299.5221 -183329.3345 -148936.1575 300.4573 64.7752 95.0222 557090.7555 9.5637 9.3513 PRESSURE: 1330200 190.188 -29.8468 -0.0793699 -29.847 -128.824 42.0561 -0.0786837 42.0567 125.336 GPRESSURE: 1330200 214.738 -46.4749 16.7076 -4.81858 -123.424 -7.60557 38.9037 29.2331 179.868 PRESSAVG: 1330200 -16.989 48.5751 -16.5919 48.5751 19.3228 -75.6563 -16.5919 -75.6563 -50.784 GPRESSAVG: 1330200 -17.7557 49.2277 -16.2355 46.6365 19.38 -75.7815 -16.4766 -74.9311 -49.6799 TIMING: 1330200 CPU: 3966.27, 0.00300192/step Wall: 3966.27, 0.00300192/step, 3.06012 hours remaining, 208.765625 MB of memory in use. ENERGY: 1330200 722.1193 2106.9022 1949.9742 106.0435 -206227.1445 17821.8048 0.0000 0.0000 34415.7135 -149104.5870 300.5610 -183520.3005 -149010.0709 300.3220 62.2333 90.3940 556172.4928 -16.1501 -16.0185 PRESSURE: 1330400 -214.948 44.5119 -44.9088 44.513 172.06 -73.0565 -44.9094 -73.0556 -34.9129 GPRESSURE: 1330400 -172.083 16.483 -48.1099 27.5061 231.14 -14.2205 42.8796 -20.8818 -30.8994 PRESSAVG: 1330400 -6.58109 -36.4344 -61.4646 -36.4344 4.44048 -28.1785 -61.4646 -28.1784 14.1828 GPRESSAVG: 1330400 -5.12706 -36.0884 -61.5544 -34.4053 4.6208 -28.5373 -62.4353 -30.4417 12.7893 TIMING: 1330400 CPU: 3966.87, 0.00299893/step Wall: 3966.87, 0.00299893/step, 3.05691 hours remaining, 208.765625 MB of memory in use. ENERGY: 1330400 783.0039 2096.3525 1936.5639 107.7415 -206115.5877 17765.5153 0.0000 0.0000 34194.3727 -149232.0379 298.6280 -183426.4106 -149140.7759 299.9308 -25.9336 9.3858 556708.5058 4.0141 4.0943 PRESSURE: 1330600 -266.575 -53.4767 160.467 -53.4769 -149.73 -57.3978 160.467 -57.3992 -35.0529 GPRESSURE: 1330600 -271.737 -26.2788 183.951 15.5813 -104.331 -110.594 158.443 -33.1343 27.9519 PRESSAVG: 1330600 -5.79548 63.3348 28.2914 63.3347 28.1819 16.2076 28.2915 16.2076 26.8197 GPRESSAVG: 1330600 -5.76202 64.8758 28.6609 62.7121 27.4409 16.4592 29.1655 16.8493 27.4419 TIMING: 1330600 CPU: 3967.47, 0.00302147/step Wall: 3967.47, 0.00302147/step, 3.07971 hours remaining, 208.765625 MB of memory in use. ENERGY: 1330600 783.1036 2054.7446 1963.5864 104.1227 -206466.1328 17745.6983 0.0000 0.0000 34505.7397 -149309.1375 301.3472 -183814.8772 -149209.8830 299.4541 -150.4526 -116.0387 555893.7804 16.4020 16.3736 PRESSURE: 1330800 95.5485 -167.216 -67.6362 -167.216 308.435 169.225 -67.6368 169.224 176.734 GPRESSURE: 1330800 205.73 -123.524 -44.234 -127.973 318.912 154.935 -63.6245 206.146 149.715 PRESSAVG: 1330800 -92.5043 -28.9336 75.0085 -28.9337 27.0663 -20.5349 75.0083 -20.5349 58.7407 GPRESSAVG: 1330800 -93.8246 -30.8779 74.7875 -29.4658 27.3644 -20.6601 73.6749 -19.0919 59.3936 TIMING: 1330800 CPU: 3968.08, 0.00304358/step Wall: 3968.08, 0.00304358/step, 3.10208 hours remaining, 208.765625 MB of memory in use. ENERGY: 1330800 757.4668 2087.9020 1935.5050 104.5787 -206675.1109 18172.6148 0.0000 0.0000 34208.3627 -149408.6809 298.7501 -183617.0437 -149315.7163 299.6105 193.5726 224.7857 556417.0879 -2.2324 -2.3555 PRESSURE: 1331000 -184.18 39.1954 -17.3561 39.1967 9.48116 -47.1885 -17.3568 -47.1883 154.674 GPRESSURE: 1331000 -188.796 68.9673 -62.5038 21.8337 78.1366 -31.7421 90.5671 -109.48 180.195 PRESSAVG: 1331000 6.15398 -29.7509 15.144 -29.7509 16.6704 6.47218 15.1441 6.47222 23.3574 GPRESSAVG: 1331000 7.29834 -27.1758 13.7054 -31.1848 16.2253 7.53766 16.6864 6.75644 22.8939 TIMING: 1331000 CPU: 3968.68, 0.00299758/step Wall: 3968.68, 0.00299758/step, 3.05504 hours remaining, 208.765625 MB of memory in use. ENERGY: 1331000 747.4929 2086.8136 1921.8145 95.3359 -205970.2787 17639.1070 0.0000 0.0000 34052.1673 -149427.5474 297.3860 -183479.7147 -149331.6156 298.7150 -6.6750 23.1788 557525.9010 15.3940 15.4725 PRESSURE: 1331200 -240.102 52.9614 -106.671 52.9621 86.8903 -9.77618 -106.671 -9.77544 35.1744 GPRESSURE: 1331200 -189.199 53.2832 -62.5364 -43.1685 85.4726 -22.026 -78.7812 29.1853 75.0427 PRESSAVG: 1331200 -50.1768 20.3974 -42.1269 20.3973 15.8619 11.9548 -42.1269 11.9546 58.8799 GPRESSAVG: 1331200 -50.9405 15.9907 -42.5739 23.2498 16.8511 9.77395 -42.3378 12.0723 58.164 TIMING: 1331200 CPU: 3969.28, 0.00300637/step Wall: 3969.28, 0.00300637/step, 3.06383 hours remaining, 208.765625 MB of memory in use. ENERGY: 1331200 770.7402 2091.4031 1933.5414 113.9296 -206615.8482 17932.7884 0.0000 0.0000 34207.4800 -149565.9655 298.7424 -183773.4455 -149469.6268 298.6047 -39.3456 -9.5611 556438.6416 8.1883 8.0248 PRESSURE: 1331400 -0.530402 -78.7379 -82.1649 -78.7387 9.01194 -72.5098 -82.1652 -72.5094 169.167 GPRESSURE: 1331400 57.7388 6.56242 -114.535 -114.438 9.9929 30.7129 -42.3479 -7.65868 197.093 PRESSAVG: 1331400 57.6026 -22.2625 3.69918 -22.2626 -21.5484 -19.5273 3.69908 -19.5272 -31.7362 GPRESSAVG: 1331400 59.4257 -19.3853 3.53963 -21.5598 -22.8102 -18.6054 4.79977 -18.8932 -32.5065 TIMING: 1331400 CPU: 3969.88, 0.00300215/step Wall: 3969.88, 0.00300215/step, 3.05936 hours remaining, 208.765625 MB of memory in use. ENERGY: 1331400 729.7830 2110.1221 1923.2236 116.9464 -206698.9511 17967.6278 0.0000 0.0000 34376.4274 -149474.8207 300.2179 -183851.2481 -149379.2177 299.2473 59.2163 88.2751 556769.2446 1.4394 1.3697 PRESSURE: 1331600 136.821 96.7224 -80.5307 96.722 -173.81 -70.8524 -80.5321 -70.8512 85.9329 GPRESSURE: 1331600 134.535 119.79 -115.862 87.6959 -113.822 -69.2737 -71.6577 -62.9209 130.872 PRESSAVG: 1331600 -5.13655 -44.6563 -28.7832 -44.6562 60.0425 -15.9013 -28.7831 -15.9012 -33.5512 GPRESSAVG: 1331600 -5.91926 -45.0904 -28.0295 -46.586 61.0629 -16.2371 -31.8077 -15.1885 -34.2268 TIMING: 1331600 CPU: 3970.48, 0.00299491/step Wall: 3970.48, 0.00299491/step, 3.05181 hours remaining, 208.765625 MB of memory in use. ENERGY: 1331600 740.9936 2072.2235 1929.1160 118.1564 -206577.9439 17949.8187 0.0000 0.0000 34219.5407 -149548.0949 298.8478 -183767.6356 -149452.2370 298.6254 16.3144 50.5285 556739.8200 7.1182 6.9723 PRESSURE: 1331800 -74.8064 -69.3485 100.811 -69.3488 -304.008 -69.5194 100.811 -69.5201 -306.481 GPRESSURE: 1331800 -58.3947 -23.6102 108.736 -51.0854 -262.444 -179.771 63.7637 59.9408 -274.626 PRESSAVG: 1331800 10.1477 -38.9579 12.6377 -38.9579 8.63717 7.91886 12.6378 7.91891 3.80074 GPRESSAVG: 1331800 10.0237 -39.0569 15.0604 -39.8294 8.34665 9.14642 12.0502 7.3234 4.16786 TIMING: 1331800 CPU: 3971.08, 0.00296831/step Wall: 3971.08, 0.00296831/step, 3.02455 hours remaining, 208.765625 MB of memory in use. ENERGY: 1331800 728.1032 2085.2374 1934.7025 107.3377 -206018.0585 17413.0022 0.0000 0.0000 34194.2725 -149555.4030 298.6271 -183749.6755 -149449.8177 298.7423 -228.4316 -198.4883 558187.8665 7.5285 7.5127 PRESSURE: 1332000 -39.8621 -148.08 -43.534 -148.08 -70.4212 12.2822 -43.5337 12.2843 -92.553 GPRESSURE: 1332000 14.4758 -85.7021 47.0198 -137.286 -27.1875 34.2373 -111.31 -22.4389 -88.9668 PRESSAVG: 1332000 -49.9874 -15.9173 -14.4948 -15.9172 -51.036 -32.3711 -14.4948 -32.371 46.1724 GPRESSAVG: 1332000 -51.6538 -14.4286 -16.311 -16.2779 -52.0596 -31.1386 -12.5561 -34.2057 48.3428 TIMING: 1332000 CPU: 3971.67, 0.00298076/step Wall: 3971.67, 0.00298076/step, 3.03706 hours remaining, 208.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1332000 726.1584 2164.6008 1926.9647 114.7709 -206327.7894 17695.6103 0.0000 0.0000 34275.8798 -149423.8045 299.3398 -183699.6843 -149331.0108 299.2713 -67.6121 -33.8928 555664.2309 -18.2837 -18.4569 PRESSURE: 1332200 -0.693967 100.653 -59.5167 100.652 31.5363 150.168 -59.5178 150.169 -72.3317 GPRESSURE: 1332200 41.4794 83.6214 -163.689 58.3812 63.8571 171.212 -65.3716 75.4449 -54.6085 PRESSAVG: 1332200 9.51958 -50.4359 9.33772 -50.436 -24.0932 13.1834 9.33756 13.1835 69.6431 GPRESSAVG: 1332200 10.3951 -51.4067 9.58189 -50.7773 -22.6855 13.0304 9.32033 11.4391 67.3666 TIMING: 1332200 CPU: 3972.27, 0.00301666/step Wall: 3972.27, 0.00301666/step, 3.07348 hours remaining, 208.765625 MB of memory in use. ENERGY: 1332200 737.5254 2079.3596 1936.8974 117.4563 -206326.1698 17742.7067 0.0000 0.0000 34293.8135 -149418.4109 299.4964 -183712.2243 -149323.1826 299.2028 -13.8298 16.9093 555628.6468 18.3565 18.3588 LDB: ============= START OF LOAD BALANCING ============== 3975.83 LDB: ============== END OF LOAD BALANCING =============== 3975.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3975.83 LDB: ============= START OF LOAD BALANCING ============== 3976.13 LDB: Largest compute 4796 load 0.025831 is 21.8% of average load 0.118264 LDB: Average compute 0.001723 is 1.5% of average load 0.118264 LDB: TIME 3976.13 LOAD: AVG 0.118264 MAX 0.211549 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.773 MB LDB: TIME 3976.13 LOAD: AVG 0.118264 MAX 0.211549 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.816 MB LDB: TIME 3976.13 LOAD: AVG 0.118264 MAX 0.211549 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.816 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3976.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3976.14 PRESSURE: 1332400 280.506 -80.5199 22.0547 -80.5192 56.5294 114.22 22.0546 114.22 187.105 GPRESSURE: 1332400 296.209 -76.7468 96.9801 -25.8159 126.723 224.929 96.2456 85.6168 200.236 PRESSAVG: 1332400 -26.6019 -65.463 -51.4563 -65.4631 -33.2662 34.9343 -51.4563 34.9342 63.4329 GPRESSAVG: 1332400 -26.3228 -64.5905 -50.9789 -65.282 -32.3909 32.9725 -52.5547 38.1671 62.9743 TIMING: 1332400 CPU: 3972.89, 0.0030815/step Wall: 3972.89, 0.0030815/step, 3.13936 hours remaining, 207.226562 MB of memory in use. ENERGY: 1332400 720.6628 2112.7416 1951.9975 111.5129 -206439.7979 17928.8862 0.0000 0.0000 34227.3060 -149386.6907 298.9156 -183613.9968 -149291.7451 298.2349 174.7137 207.7227 556103.4549 1.1883 1.4202 PRESSURE: 1332600 -129.861 -112.244 18.7915 -112.244 54.6751 -109.049 18.7908 -109.05 -90.9605 GPRESSURE: 1332600 -105.494 -97.5064 28.8518 -127.976 40.8369 -91.7713 58.0393 -23.4773 -2.19226 PRESSAVG: 1332600 45.5748 -11.1138 -59.306 -11.1137 -14.8038 37.1014 -59.306 37.1014 -46.5381 GPRESSAVG: 1332600 45.7474 -13.7164 -60.5707 -9.54033 -16.0961 37.2089 -57.9819 36.1978 -45.6806 TIMING: 1332600 CPU: 3973.49, 0.00301011/step Wall: 3973.49, 0.00301011/step, 3.06647 hours remaining, 207.226562 MB of memory in use. ENERGY: 1332600 730.2938 2070.7336 1942.7002 115.3137 -206304.3993 17828.7294 0.0000 0.0000 34151.5823 -149465.0462 298.2543 -183616.6285 -149360.1575 298.1462 -55.3821 -22.2832 556146.7604 -5.2557 -5.3431 PRESSURE: 1332800 -77.9505 15.7456 -11.0684 15.745 11.4312 21.8672 -11.0698 21.8657 -332.283 GPRESSURE: 1332800 -71.4356 -34.1595 27.1681 26.1634 77.4428 42.5741 -64.8966 61.7297 -308.125 PRESSAVG: 1332800 12.9963 10.6735 -34.1318 10.6736 -40.8775 24.6041 -34.1319 24.6041 45.7375 GPRESSAVG: 1332800 13.5155 11.0075 -33.7088 10.0068 -41.2951 25.5415 -34.493 24.7539 45.8548 TIMING: 1332800 CPU: 3974.09, 0.00300227/step Wall: 3974.09, 0.00300227/step, 3.05831 hours remaining, 207.226562 MB of memory in use. ENERGY: 1332800 697.3808 2132.2699 1928.8473 118.5231 -205918.2869 17508.7592 0.0000 0.0000 34108.4696 -149424.0368 297.8777 -183532.5065 -149331.3999 298.1133 -132.9340 -100.7060 556914.7440 5.9521 6.0251 PRESSURE: 1333000 -97.5887 23.5211 -44.7931 23.5214 -57.9375 -86.0438 -44.7933 -86.0439 -217.323 GPRESSURE: 1333000 -63.4751 102.897 -36.6588 -42.8222 -85.5515 -7.05196 4.19151 -54.7807 -125.582 PRESSAVG: 1333000 -27.0921 -48.6342 -2.79635 -48.6342 31.5768 -15.4697 -2.79625 -15.4698 -72.054 GPRESSAVG: 1333000 -27.0885 -46.7628 -2.58409 -49.3647 31.4936 -15.9274 -1.30811 -16.204 -72.344 TIMING: 1333000 CPU: 3974.7, 0.00301761/step Wall: 3974.7, 0.00301761/step, 3.07377 hours remaining, 207.226562 MB of memory in use. ENERGY: 1333000 775.2833 2052.2859 1933.1652 111.2253 -206444.3498 17795.3591 0.0000 0.0000 34229.7531 -149547.2778 298.9369 -183777.0310 -149452.7201 298.4314 -124.2829 -91.5363 556074.9347 -22.5231 -22.6463 PRESSURE: 1333200 -69.3159 71.8672 122.233 71.8662 -187.574 -186.852 122.231 -186.852 122.087 GPRESSURE: 1333200 -46.5916 78.5936 124.815 52.0605 -124.703 -214.955 116.736 -98.7204 127.976 PRESSAVG: 1333200 -84.0571 -0.958875 -56.5918 -0.958808 50.403 28.4443 -56.5919 28.4443 36.5501 GPRESSAVG: 1333200 -84.9503 -2.61447 -56.1015 -0.14741 50.1735 28.3639 -58.0042 28.6972 37.8039 TIMING: 1333200 CPU: 3975.31, 0.00304047/step Wall: 3975.31, 0.00304047/step, 3.09689 hours remaining, 207.226562 MB of memory in use. ENERGY: 1333200 758.2528 2032.6692 1924.1276 110.8291 -205988.0417 17673.5628 0.0000 0.0000 34041.0603 -149447.5399 297.2890 -183488.6002 -149350.6291 298.5599 -44.9341 -14.4395 557199.1209 0.9653 1.0091 PRESSURE: 1333400 -336.177 24.8409 -166.481 24.8399 -170.421 0.256727 -166.481 0.257447 -37.956 GPRESSURE: 1333400 -296.777 -37.78 -119.721 91.5225 -163.788 2.1375 -219.324 62.0225 14.1812 PRESSAVG: 1333400 -22.0474 12.698 -56.11 12.6979 -3.59371 39.3646 -56.1101 39.3648 47.7981 GPRESSAVG: 1333400 -20.8341 12.7974 -56.7011 13.1885 -4.13232 40.8105 -54.5821 39.4955 47.5665 TIMING: 1333400 CPU: 3975.91, 0.00300407/step Wall: 3975.91, 0.00300407/step, 3.05964 hours remaining, 207.226562 MB of memory in use. ENERGY: 1333400 782.3287 2040.8401 1940.3527 101.7671 -206382.0583 17866.4159 0.0000 0.0000 34210.0883 -149440.2655 298.7652 -183650.3538 -149339.5330 298.2626 -181.5178 -148.7945 557322.1220 7.3857 7.5334 PRESSURE: 1333600 -320.573 -83.283 67.5421 -83.2818 -14.9592 96.8022 67.5416 96.802 -165.018 GPRESSURE: 1333600 -277.638 -19.8305 100.901 -136.634 42.0645 172.994 67.5156 135.385 -168.034 PRESSAVG: 1333600 -0.291986 11.3267 -40.5082 11.3267 10.0164 1.04646 -40.5083 1.04632 -50.1916 GPRESSAVG: 1333600 0.271244 12.6002 -39.2799 11.7563 9.81593 -1.4212 -41.843 1.86732 -50.5197 TIMING: 1333600 CPU: 3976.5, 0.00298741/step Wall: 3976.5, 0.00298741/step, 3.04251 hours remaining, 207.226562 MB of memory in use. ENERGY: 1333600 753.4387 2072.0687 1913.8213 114.4094 -206392.2072 17750.8003 0.0000 0.0000 34230.8508 -149556.8181 298.9465 -183787.6688 -149458.5655 298.4972 -166.8501 -134.5355 557670.9152 -13.4891 -13.4775 PRESSURE: 1333800 74.4207 93.0797 150.188 93.0793 68.1932 -230.408 150.188 -230.408 90.3135 GPRESSURE: 1333800 70.9211 65.024 232.68 61.4034 130.787 -257.271 27.7152 -163.196 128.253 PRESSAVG: 1333800 -18.3913 19.1296 37.3289 19.1296 18.3604 32.3034 37.3289 32.3034 21.1836 GPRESSAVG: 1333800 -19.9078 17.6498 34.6524 20.0111 19.2733 33.7237 37.0566 30.8675 21.5991 TIMING: 1333800 CPU: 3977.11, 0.00301556/step Wall: 3977.11, 0.00301556/step, 3.07101 hours remaining, 207.226562 MB of memory in use. ENERGY: 1333800 742.2014 2065.6470 1926.5631 102.5159 -206412.4629 17914.6140 0.0000 0.0000 34216.4632 -149444.4582 298.8209 -183660.9215 -149339.1767 298.7099 77.6425 109.9871 557448.2663 7.0509 6.9882 PRESSURE: 1334000 -187.887 60.942 -66.2542 60.9416 191.495 33.6041 -66.2543 33.6036 178.643 GPRESSURE: 1334000 -141.621 12.4107 -20.4178 141.195 200.843 45.6283 -56.7023 -1.72029 215.805 PRESSAVG: 1334000 -38.2351 34.2055 2.99532 34.2054 -37.9894 21.0068 2.99522 21.0065 42.0043 GPRESSAVG: 1334000 -37.6437 34.9678 4.79441 33.4241 -38.9092 20.5508 2.68914 19.2796 42.1389 TIMING: 1334000 CPU: 3977.71, 0.00301858/step Wall: 3977.71, 0.00301858/step, 3.07393 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1334000 761.9266 2081.2439 1935.8525 121.9129 -206369.8239 17862.8973 0.0000 0.0000 34113.9568 -149492.0338 297.9257 -183605.9906 -149395.5428 298.5296 60.7502 91.6755 557001.4492 -11.4067 -11.4713 PRESSURE: 1334200 81.7805 -98.9737 -55.9523 -98.9735 100.844 70.753 -55.9528 70.7518 172.915 GPRESSURE: 1334200 108.895 -142.43 -73.5859 -35.3151 134.214 84.364 18.4029 59.163 203.271 PRESSAVG: 1334200 58.104 -13.7151 -26.3843 -13.7151 -56.5502 17.0264 -26.3843 17.0264 -4.88672 GPRESSAVG: 1334200 59.1263 -12.6859 -25.8688 -15.8434 -57.0491 17.8519 -27.575 20.3501 -5.07613 TIMING: 1334200 CPU: 3978.31, 0.00300848/step Wall: 3978.31, 0.00300848/step, 3.06346 hours remaining, 207.226562 MB of memory in use. ENERGY: 1334200 721.9844 2046.7436 1963.2429 121.4825 -206587.1164 18088.8780 0.0000 0.0000 34174.3893 -149470.3958 298.4534 -183644.7851 -149377.3791 298.8284 118.5131 148.7931 558159.1718 -1.1110 -0.9997 PRESSURE: 1334400 72.9572 162.108 -48.8214 162.107 -78.4164 -84.3565 -48.8203 -84.3574 -321.16 GPRESSURE: 1334400 75.1199 145.504 -25.0943 157.748 -14.0849 -54.5736 -74.6738 -81.4874 -283.561 PRESSAVG: 1334400 -10.7882 18.0015 -16.9004 18.0014 -6.95367 24.3307 -16.9003 24.3308 -29.4975 GPRESSAVG: 1334400 -11.827 16.5566 -16.5658 17.5219 -7.65712 23.2204 -16.5399 23.9099 -27.9013 TIMING: 1334400 CPU: 3978.91, 0.00300084/step Wall: 3978.91, 0.00300084/step, 3.05553 hours remaining, 207.226562 MB of memory in use. ENERGY: 1334400 748.3362 2123.5819 1896.1247 110.5855 -206167.9802 17649.1411 0.0000 0.0000 34215.1091 -149425.1017 298.8091 -183640.2108 -149327.3271 298.7835 -108.8730 -74.1753 557067.7245 -15.7465 -15.7951 PRESSURE: 1334600 -142.601 104.294 -35.3746 104.296 -306.828 195.771 -35.375 195.772 350.862 GPRESSURE: 1334600 -25.8148 65.1456 -65.1965 153.696 -313.87 196.487 35.1665 178.151 343.639 PRESSAVG: 1334600 11.2498 -1.43107 -5.86845 -1.43097 18.3736 -0.349431 -5.86856 -0.349484 -52.689 GPRESSAVG: 1334600 10.4251 -1.78331 -6.71035 -0.764214 18.9794 -1.5878 -6.0395 0.740778 -52.3656 TIMING: 1334600 CPU: 3979.51, 0.00300917/step Wall: 3979.51, 0.00300917/step, 3.06384 hours remaining, 207.226562 MB of memory in use. ENERGY: 1334600 727.4843 2116.6980 1893.1812 123.0560 -206552.8029 17761.3841 0.0000 0.0000 34362.6673 -149568.3321 300.0977 -183930.9994 -149481.4286 298.4345 -32.8556 1.3179 556554.7227 -7.6885 -7.6537 PRESSURE: 1334800 -70.2765 22.8852 -109.872 22.8843 32.0697 -0.530446 -109.872 -0.531068 -84.1219 GPRESSURE: 1334800 -10.857 15.4428 -85.6354 82.451 61.9991 -32.0727 -97.8017 19.6797 -72.2668 PRESSAVG: 1334800 -16.3906 28.7821 11.6557 28.7821 39.8032 24.8346 11.6557 24.8346 -25.7868 GPRESSAVG: 1334800 -14.9914 29.1016 11.4675 28.5284 39.9533 25.7903 13.6101 25.7939 -26.9569 TIMING: 1334800 CPU: 3980.12, 0.00301052/step Wall: 3980.12, 0.00301052/step, 3.06504 hours remaining, 207.226562 MB of memory in use. ENERGY: 1334800 726.0277 2105.1615 1917.5319 102.0824 -206577.3995 17838.5036 0.0000 0.0000 34234.0878 -149654.0047 298.9748 -183888.0925 -149553.3258 298.5283 -40.7763 -7.0416 556481.3320 -0.7914 -0.6650 PRESSURE: 1335000 -103.252 -2.08254 119.594 -2.0813 56.99 68.812 119.596 68.8138 27.0487 GPRESSURE: 1335000 -80.5101 -61.1145 136.558 65.5348 98.0006 62.2114 78.8127 112.387 62.299 PRESSAVG: 1335000 -18.3837 -14.2997 -27.8958 -14.2996 -21.9955 36.6464 -27.8958 36.6464 46.1925 GPRESSAVG: 1335000 -19.3404 -14.9347 -28.2794 -12.3323 -20.969 36.645 -28.2484 35.0044 45.8411 TIMING: 1335000 CPU: 3980.71, 0.00299015/step Wall: 3980.71, 0.00299015/step, 3.04414 hours remaining, 207.285156 MB of memory in use. ENERGY: 1335000 747.6339 2086.3160 1935.8975 102.9017 -206314.5410 17667.4939 0.0000 0.0000 34174.9920 -149599.3059 298.4587 -183774.2979 -149510.3616 298.9650 -6.4045 26.5965 554661.5461 1.9378 1.8439 PRESSURE: 1335200 3.20215 -69.8787 96.5418 -69.8799 -79.8733 -32.8892 96.542 -32.8879 51.4044 GPRESSURE: 1335200 -17.5549 2.71554 49.2719 -74.4208 66.6399 -25.476 135.345 -5.29605 14.1154 PRESSAVG: 1335200 4.60485 19.6813 -6.3396 19.6813 41.5489 -5.84218 -6.3396 -5.84222 -28.4882 GPRESSAVG: 1335200 4.99549 21.2015 -6.39477 18.7887 42.0497 -5.88029 -6.36105 -5.37546 -29.1033 TIMING: 1335200 CPU: 3981.31, 0.00298948/step Wall: 3981.31, 0.00298948/step, 3.04329 hours remaining, 207.285156 MB of memory in use. ENERGY: 1335200 750.8453 2081.7788 1948.1433 101.5273 -206409.7011 17773.1482 0.0000 0.0000 34342.3048 -149411.9535 299.9199 -183754.2583 -149307.4715 298.2574 -8.4222 21.0668 555766.8421 5.8885 5.9806 PRESSURE: 1335400 -205.689 57.5009 35.2634 57.5016 139.729 -53.0904 35.2633 -53.089 -105.415 GPRESSURE: 1335400 -136.918 67.652 125.239 120.523 161.444 -33.31 -72.0095 -97.4919 -87.8372 PRESSAVG: 1335400 3.02315 -12.5679 -28.7499 -12.568 -17.8705 22.8009 -28.75 22.8008 17.9528 GPRESSAVG: 1335400 3.66584 -12.3796 -27.4483 -14.586 -18.6493 22.8368 -28.6843 20.9209 18.2109 TIMING: 1335400 CPU: 3981.9, 0.00296225/step Wall: 3981.9, 0.00296225/step, 3.01541 hours remaining, 207.285156 MB of memory in use. ENERGY: 1335400 727.3324 2095.9896 1906.9080 115.7552 -205950.1738 17556.1235 0.0000 0.0000 34191.4151 -149356.6500 298.6021 -183548.0651 -149262.1445 299.2529 -57.1251 -21.1037 557543.8504 1.0351 1.0758 PRESSURE: 1335600 9.3188 -25.2526 -68.7371 -25.252 28.3779 206.551 -68.7386 206.552 242.939 GPRESSURE: 1335600 78.6215 14.1981 -18.7445 43.8601 43.8596 176.489 -101.131 267.909 261.493 PRESSAVG: 1335600 -45.1312 3.15687 -6.97825 3.15684 -2.68246 -11.3126 -6.97823 -11.3125 47.2409 GPRESSAVG: 1335600 -46.163 1.716 -8.015 5.95187 -3.8471 -12.6105 -5.97922 -7.66368 48.9858 TIMING: 1335600 CPU: 3982.49, 0.00294545/step Wall: 3982.49, 0.00294544/step, 2.99814 hours remaining, 207.285156 MB of memory in use. ENERGY: 1335600 711.0426 2072.6280 1938.5549 114.4499 -206250.6222 17859.3648 0.0000 0.0000 34196.2663 -149358.3156 298.6445 -183554.5819 -149258.7774 299.0318 93.5453 127.9915 557308.4256 -0.1909 -0.3414 PRESSURE: 1335800 -0.856488 164.269 103.828 164.269 -137.918 -12.1982 103.829 -12.2004 -301.37 GPRESSURE: 1335800 3.53052 89.4014 136.863 132.967 -82.4904 -37.0276 81.1916 -42.9885 -246.452 PRESSAVG: 1335800 78.4538 77.3317 24.5304 77.3317 -65.6208 35.8487 24.5305 35.8487 25.1793 GPRESSAVG: 1335800 78.0555 76.4129 26.7939 76.1799 -64.8197 36.503 21.6447 34.2959 24.6668 TIMING: 1335800 CPU: 3983.09, 0.0029983/step Wall: 3983.09, 0.0029983/step, 3.05177 hours remaining, 207.351562 MB of memory in use. ENERGY: 1335800 776.0764 2090.6408 1931.9577 112.8238 -206141.7322 17618.8591 0.0000 0.0000 34272.0517 -149339.3226 299.3064 -183611.3743 -149241.5042 298.7314 -146.7148 -108.4706 558325.2367 12.6708 12.6342 PRESSURE: 1336000 -227.32 -150.581 -134.31 -150.582 -197.654 -82.7054 -134.31 -82.7048 -6.1912 GPRESSURE: 1336000 -195.953 -138.359 -67.9234 -91.7119 -146.12 -34.6944 -165.333 -70.3661 2.26591 PRESSAVG: 1336000 -3.60024 16.654 -23.1684 16.654 -37.0946 -9.06144 -23.1683 -9.06136 28.1792 GPRESSAVG: 1336000 -2.5015 17.4516 -24.9404 17.5356 -38.1983 -12.2367 -21.9652 -8.39518 27.6738 TIMING: 1336000 CPU: 3983.69, 0.00297151/step Wall: 3983.69, 0.00297151/step, 3.02433 hours remaining, 207.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1336000 756.1859 2040.0634 1903.3306 109.2238 -205989.5008 17586.9192 0.0000 0.0000 34241.1557 -149352.6222 299.0365 -183593.7779 -149259.3012 299.1400 -143.7218 -113.2691 557860.5154 -4.1719 -4.3420 PRESSURE: 1336200 224.533 -10.9331 -8.49658 -10.9341 153.63 21.5979 -8.49676 21.5974 -95.8528 GPRESSURE: 1336200 321.984 59.3109 6.85158 -6.7654 171.561 109.218 58.817 -40.9406 -103.681 PRESSAVG: 1336200 -11.928 41.0574 -0.987759 41.0574 36.9158 3.53968 -0.987722 3.53974 -13.6332 GPRESSAVG: 1336200 -12.7595 41.4128 -0.672878 39.5901 36.9243 8.77184 -1.83771 1.55418 -13.1862 TIMING: 1336200 CPU: 3984.28, 0.00297734/step Wall: 3984.28, 0.00297734/step, 3.03011 hours remaining, 207.351562 MB of memory in use. ENERGY: 1336200 726.3866 2070.0700 1943.6523 118.5922 -206290.8407 17815.6941 0.0000 0.0000 34105.7219 -149510.7236 297.8538 -183616.4455 -149412.9220 298.8388 94.1035 129.9550 556799.4862 3.7848 3.6595 LDB: ============= START OF LOAD BALANCING ============== 3987.83 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3987.83 LDB: =============== DONE WITH MIGRATION ================ 3987.83 LDB: ============= START OF LOAD BALANCING ============== 3988.13 LDB: Largest compute 4774 load 0.024041 is 20.3% of average load 0.118143 LDB: Average compute 0.001719 is 1.5% of average load 0.118143 LDB: TIME 3988.13 LOAD: AVG 0.118143 MAX 0.212778 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.863 MB LDB: TIME 3988.13 LOAD: AVG 0.118143 MAX 0.212778 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.066 MB LDB: TIME 3988.13 LOAD: AVG 0.118143 MAX 0.212778 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.066 MB LDB: ============== END OF LOAD BALANCING =============== 3988.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3988.14 PRESSURE: 1336400 58.328 123.592 27.2724 123.593 -120.81 -69.1546 27.2734 -69.1537 -73.1878 GPRESSURE: 1336400 90.3172 115.353 60.5945 131.98 -83.1513 -87.3254 73.3146 -112.332 -47.4508 PRESSAVG: 1336400 27.2117 46.8301 -37.5143 46.8302 -28.192 53.6152 -37.5144 53.6152 24.1512 GPRESSAVG: 1336400 26.4509 47.8697 -39.342 46.1786 -26.8008 50.7119 -34.1733 55.1679 23.2963 TIMING: 1336400 CPU: 3984.89, 0.00303896/step Wall: 3984.89, 0.00303896/step, 3.09265 hours remaining, 208.050781 MB of memory in use. ENERGY: 1336400 769.0447 2058.4199 1927.2707 112.7688 -206547.4426 17820.5632 0.0000 0.0000 34272.6553 -149586.7201 299.3116 -183859.3754 -149488.5589 298.4262 -45.2233 -13.4283 556903.5144 7.7236 7.6488 PRESSURE: 1336600 61.5612 -71.1685 -58.3704 -71.1684 -133.381 107.278 -58.3695 107.276 -103.058 GPRESSURE: 1336600 64.2882 -57.5667 33.1298 14.2055 -103.592 81.263 -48.7542 137.099 -33.1756 PRESSAVG: 1336600 21.4426 27.937 17.4642 27.937 11.5872 38.0892 17.4642 38.0891 -41.9581 GPRESSAVG: 1336600 22.6115 26.4807 19.9824 29.7129 11.2856 37.8283 14.2401 37.385 -42.7546 TIMING: 1336600 CPU: 3985.49, 0.00298497/step Wall: 3985.49, 0.00298497/step, 3.03754 hours remaining, 208.121094 MB of memory in use. ENERGY: 1336600 738.0637 2116.9411 1928.1615 113.7575 -206421.3133 17796.0096 0.0000 0.0000 34078.3271 -149650.0528 297.6145 -183728.3799 -149553.3667 298.3322 -58.2926 -24.1600 558158.1347 -2.9761 -2.9525 PRESSURE: 1336800 33.2557 71.9095 98.3571 71.9097 -141.263 -85.6917 98.357 -85.6922 175.685 GPRESSURE: 1336800 85.9743 126.304 44.2314 -19.4121 -109.904 -125.882 140.44 -44.2621 178.555 PRESSAVG: 1336800 70.1419 39.4585 3.13309 39.4584 -24.2254 -6.62581 3.13301 -6.62595 -20.635 GPRESSAVG: 1336800 69.3216 40.0436 2.9596 39.6159 -23.4419 -5.60856 4.4801 -6.28145 -20.5958 TIMING: 1336800 CPU: 3986.09, 0.00298601/step Wall: 3986.09, 0.00298601/step, 3.03843 hours remaining, 208.121094 MB of memory in use. ENERGY: 1336800 739.3322 2061.5338 1905.9885 90.4222 -206667.8905 17940.0971 0.0000 0.0000 34283.1564 -149647.3602 299.4033 -183930.5166 -149547.4111 298.4602 22.5595 51.5420 556039.4023 8.4271 8.4280 PRESSURE: 1337000 59.6674 80.6028 -263.528 80.6036 -167.396 -129.275 -263.526 -129.275 -147.686 GPRESSURE: 1337000 45.7341 87.9647 -245.371 84.0564 -105.36 -129.184 -210.301 -151.499 -98.6011 PRESSAVG: 1337000 23.6118 37.4629 22.0672 37.4629 -8.33466 5.83375 22.0671 5.83372 23.8959 GPRESSAVG: 1337000 23.5363 38.3712 21.3982 36.1414 -9.7526 6.78847 22.8622 3.61111 25.3559 TIMING: 1337000 CPU: 3986.68, 0.00295857/step Wall: 3986.68, 0.00295857/step, 3.01035 hours remaining, 208.121094 MB of memory in use. ENERGY: 1337000 728.2249 2090.3803 1938.1838 108.2613 -206262.4405 17821.5129 0.0000 0.0000 34200.4248 -149375.4524 298.6808 -183575.8772 -149279.1530 299.2286 -85.1382 -52.7422 558497.0046 13.0577 13.0465 PRESSURE: 1337200 -222.046 38.1617 -138.572 38.1618 296.155 -78.7656 -138.572 -78.7676 128.338 GPRESSURE: 1337200 -106.008 32.7589 -152.684 -80.3983 296.557 -74.1184 -114.709 -61.7719 107.814 PRESSAVG: 1337200 -18.9725 9.81733 56.1913 9.81728 51.2182 14.8568 56.1913 14.8569 -27.2911 GPRESSAVG: 1337200 -18.5968 9.49861 55.8445 10.7044 52.6972 14.3471 56.0331 15.4639 -28.9883 TIMING: 1337200 CPU: 3987.27, 0.00298977/step Wall: 3987.27, 0.00298977/step, 3.04192 hours remaining, 208.121094 MB of memory in use. ENERGY: 1337200 767.9070 2097.4794 1916.3892 111.3611 -206357.2796 17947.4162 0.0000 0.0000 34183.9304 -149332.7962 298.5368 -183516.7266 -149242.9462 299.1985 67.4822 99.4544 556111.2068 1.6515 1.7040 PRESSURE: 1337400 94.3178 9.75527 6.17603 9.75507 -128.504 -67.7141 6.17543 -67.7146 282.629 GPRESSURE: 1337400 105.028 55.4649 -16.696 22.7611 -109.74 -74.4785 -65.9661 -69.6754 346.927 PRESSAVG: 1337400 -10.1894 -17.738 38.7648 -17.7379 14.0335 -34.9695 38.7649 -34.9695 36.7601 GPRESSAVG: 1337400 -10.1518 -17.1983 39.1075 -17.4979 14.3966 -35.2148 37.184 -32.9925 36.2629 TIMING: 1337400 CPU: 3987.87, 0.00299806/step Wall: 3987.87, 0.00299806/step, 3.05019 hours remaining, 208.121094 MB of memory in use. ENERGY: 1337400 734.9676 2073.4528 1932.5792 117.2640 -206137.7303 17832.0074 0.0000 0.0000 34209.1087 -149238.3506 298.7567 -183447.4593 -149136.2847 298.7002 82.8142 114.0715 555926.5886 13.5347 13.5026 PRESSURE: 1337600 45.6827 58.7708 59.1074 58.7702 25.0409 116.895 59.1066 116.893 30.3748 GPRESSURE: 1337600 117.542 36.2912 123.197 55.5848 45.8408 87.3131 2.08846 48.3918 28.7965 PRESSAVG: 1337600 9.94934 4.87263 15.9264 4.87263 -40.1133 -15.9618 15.9264 -15.9618 5.86811 GPRESSAVG: 1337600 10.2824 4.92525 15.6174 4.1808 -40.8753 -15.7152 18.9205 -15.3695 6.12399 TIMING: 1337600 CPU: 3988.47, 0.00298914/step Wall: 3988.47, 0.00298914/step, 3.04096 hours remaining, 208.121094 MB of memory in use. ENERGY: 1337600 724.0901 2078.2263 1911.5798 127.9813 -206116.9173 17867.2476 0.0000 0.0000 34030.8654 -149376.9269 297.2000 -183407.7923 -149278.5818 298.8136 33.6995 64.0599 557765.2740 -8.0986 -8.1563 PRESSURE: 1337800 237.687 -165.724 -25.6863 -165.723 -92.7209 -71.9471 -25.6864 -71.9474 34.2569 GPRESSURE: 1337800 245.384 -214.136 -12.3792 -181.363 -11.5354 -169.302 -47.4866 -28.9427 42.4667 PRESSAVG: 1337800 21.0165 -68.7575 80.7114 -68.7576 -32.4842 -45.1591 80.7114 -45.1591 6.26129 GPRESSAVG: 1337800 19.9898 -71.4665 78.8389 -68.8943 -32.9792 -48.7887 79.5958 -44.3036 7.35374 TIMING: 1337800 CPU: 3989.06, 0.00295846/step Wall: 3989.06, 0.00295846/step, 3.00957 hours remaining, 208.121094 MB of memory in use. ENERGY: 1337800 740.4305 2115.9811 1934.6132 112.2961 -206471.1236 17997.5024 0.0000 0.0000 34080.2257 -149490.0744 297.6311 -183570.3002 -149389.6471 298.2984 59.7409 92.1051 557678.5123 -1.7355 -1.8786 PRESSURE: 1338000 43.2928 -133.997 133.622 -133.998 18.8152 107.795 133.621 107.795 205.317 GPRESSURE: 1338000 61.8815 -64.1695 97.54 -155.793 73.0113 111.144 147.766 143.512 225.461 PRESSAVG: 1338000 -6.16753 -4.02555 39.6786 -4.02557 -17.2626 -16.3724 39.6787 -16.3724 41.898 GPRESSAVG: 1338000 -5.99527 -2.42774 39.7552 -2.40336 -17.0399 -14.5687 40.0309 -19.0208 41.9976 TIMING: 1338000 CPU: 3989.66, 0.00295992/step Wall: 3989.66, 0.00295992/step, 3.0109 hours remaining, 208.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1338000 700.3354 2086.2050 1962.7845 124.7082 -206390.2367 17816.0581 0.0000 0.0000 34137.9850 -149562.1604 298.1355 -183700.1454 -149461.3359 298.0421 89.1416 120.1180 557438.2914 6.1560 6.3208 PRESSURE: 1338200 -19.0607 -19.0147 56.3866 -19.0149 -175.16 -50.9858 56.3853 -50.9847 225.504 GPRESSURE: 1338200 27.8121 -16.2634 -16.644 9.38406 -163.209 -173.405 77.7737 -11.3436 260.962 PRESSAVG: 1338200 17.9901 5.0078 -8.78595 5.00775 -50.9631 -58.5584 -8.78599 -58.5583 23.2524 GPRESSAVG: 1338200 17.7252 3.33622 -8.13287 4.33135 -50.0196 -58.9176 -9.93086 -56.7709 22.3334 TIMING: 1338200 CPU: 3990.25, 0.00299141/step Wall: 3990.25, 0.00299141/step, 3.04277 hours remaining, 208.121094 MB of memory in use. ENERGY: 1338200 743.4818 2093.4437 1917.9868 111.5875 -206352.7085 17878.5729 0.0000 0.0000 34102.0795 -149505.5562 297.8219 -183607.6358 -149401.1932 298.2387 10.4277 41.8551 557872.9181 -3.2402 -3.3203 PRESSURE: 1338400 94.2675 128.602 -168.948 128.603 27.3109 -58.6139 -168.948 -58.6141 -259.755 GPRESSURE: 1338400 92.3703 -10.1393 -138.801 140.387 0.0977892 -55.9382 -160.794 -39.1645 -132.055 PRESSAVG: 1338400 35.3401 -41.429 -17.6223 -41.429 33.0622 2.23268 -17.6222 2.23267 -22.6945 GPRESSAVG: 1338400 36.2138 -39.9789 -16.4813 -41.4112 32.5414 3.61454 -17.9614 0.98633 -22.6425 TIMING: 1338400 CPU: 3990.86, 0.00301586/step Wall: 3990.86, 0.00301586/step, 3.06747 hours remaining, 208.121094 MB of memory in use. ENERGY: 1338400 754.3455 2078.6642 1929.8005 130.3565 -206300.1293 17806.4074 0.0000 0.0000 34120.5292 -149480.0259 297.9831 -183600.5551 -149377.0771 298.6148 -46.0588 -13.1957 558355.9610 15.2359 15.3709 PRESSURE: 1338600 -346.7 -30.819 43.958 -30.8182 187.754 -42.6775 43.9584 -42.6769 -108.633 GPRESSURE: 1338600 -312.764 3.0424 -19.8478 0.326342 229.276 -42.5687 50.3207 -117.06 -97.4114 PRESSAVG: 1338600 -16.1968 1.45128 -8.07158 1.45129 2.36513 -31.8041 -8.07159 -31.8041 -26.6086 GPRESSAVG: 1338600 -16.2583 -0.0858544 -8.85996 0.735677 2.03906 -32.4687 -6.97163 -32.4799 -26.1845 TIMING: 1338600 CPU: 3991.45, 0.00297582/step Wall: 3991.45, 0.00297582/step, 3.02657 hours remaining, 208.121094 MB of memory in use. ENERGY: 1338600 736.7841 2099.5380 1902.5228 124.5677 -206252.6451 17660.8362 0.0000 0.0000 34141.5062 -149586.8901 298.1663 -183728.3963 -149488.4894 298.2885 -89.1929 -60.2999 557859.0339 -13.4801 -13.4679 PRESSURE: 1338800 -69.6459 -67.2518 -7.4941 -67.2512 -230.745 -62.964 -7.49328 -62.9636 -7.85396 GPRESSURE: 1338800 -59.9042 15.3666 -18.0484 -102.572 -166.439 -124.225 23.2786 -45.5039 7.45809 PRESSAVG: 1338800 -74.3622 56.9118 23.7624 56.9119 57.8583 -7.1813 23.7623 -7.18125 -6.9995 GPRESSAVG: 1338800 -73.9353 58.2247 23.7695 56.3738 58.5251 -7.29554 23.4397 -8.43281 -8.21504 TIMING: 1338800 CPU: 3992.05, 0.00298385/step Wall: 3992.05, 0.00298385/step, 3.03457 hours remaining, 208.121094 MB of memory in use. ENERGY: 1338800 734.4982 2035.7580 1924.3554 118.8414 -205842.4798 17660.3970 0.0000 0.0000 33969.2421 -149399.3878 296.6618 -183368.6299 -149306.6636 297.9811 -102.7484 -72.9617 558865.3085 -7.8345 -7.8751 PRESSURE: 1339000 -396.29 23.5398 -52.2982 23.5399 98.5526 -74.5476 -52.2974 -74.5473 -201.845 GPRESSURE: 1339000 -373.097 49.6162 -88.8035 10.5969 154.676 -68.488 33.4192 -42.4535 -183.395 PRESSAVG: 1339000 36.3557 75.749 6.46998 75.749 -61.2595 -14.0572 6.47003 -14.0572 -6.96867 GPRESSAVG: 1339000 36.1805 75.1859 6.71941 77.5482 -61.6505 -14.2321 6.28543 -13.3898 -6.3305 TIMING: 1339000 CPU: 3992.65, 0.00299486/step Wall: 3992.65, 0.00299486/step, 3.04561 hours remaining, 208.121094 MB of memory in use. ENERGY: 1339000 716.6885 2091.4550 1908.6334 108.0177 -205682.8364 17496.4690 0.0000 0.0000 34081.2638 -149280.3090 297.6402 -183361.5728 -149177.1848 298.7980 -166.5274 -133.9387 557606.3011 -10.6241 -10.6001 PRESSURE: 1339200 -30.0982 39.6757 -60.6575 39.6754 38.7959 -117.067 -60.6587 -117.068 69.9617 GPRESSURE: 1339200 2.25491 85.5919 -28.3036 19.6313 83.0749 -82.6543 -57.4743 -63.0039 87.94 PRESSAVG: 1339200 -52.323 -11.3791 4.16338 -11.3791 20.463 -23.2873 4.16341 -23.2873 40.1251 GPRESSAVG: 1339200 -53.1302 -10.7295 4.29482 -11.6043 20.9974 -24.0639 4.92402 -22.7984 40.3284 TIMING: 1339200 CPU: 3993.25, 0.00299044/step Wall: 3993.25, 0.00299044/step, 3.04095 hours remaining, 208.121094 MB of memory in use. ENERGY: 1339200 737.4626 2076.7342 1931.7427 104.4721 -206338.8926 17778.5043 0.0000 0.0000 34338.9544 -149371.0222 299.8906 -183709.9767 -149281.6186 299.3135 26.2198 57.7566 557012.5476 2.7550 2.7318 PRESSURE: 1339400 -115.597 195.094 -29.8762 195.094 -179.102 14.9796 -29.8754 14.9795 -187.133 GPRESSURE: 1339400 -156.52 222.016 69.8955 227.856 -97.1622 37.758 -54.9849 56.334 -141.977 PRESSAVG: 1339400 41.1695 33.1058 -16.6042 33.1056 -19.3083 -16.9376 -16.6043 -16.9375 -35.1336 GPRESSAVG: 1339400 41.3892 31.629 -18.8686 32.5175 -18.3542 -17.3067 -14.9478 -15.2237 -35.7705 TIMING: 1339400 CPU: 3993.84, 0.00296845/step Wall: 3993.84, 0.00296845/step, 3.01842 hours remaining, 208.121094 MB of memory in use. ENERGY: 1339400 751.3975 2035.4335 1901.0290 113.9454 -206015.3158 17481.3697 0.0000 0.0000 34224.4728 -149507.6679 298.8908 -183732.1407 -149416.2064 299.5096 -160.6108 -131.8862 557888.7561 -4.4242 -4.2452 PRESSURE: 1339600 67.4069 -95.2126 -68.8328 -95.2117 20.4776 94.4737 -68.8338 94.4754 7.50169 GPRESSURE: 1339600 81.9322 3.51252 -58.2203 -151.983 13.8622 48.3118 -23.3351 97.8864 95.2495 PRESSAVG: 1339600 4.27809 -19.5253 -1.50213 -19.5252 -15.8782 -38.8237 -1.50215 -38.8237 11.5967 GPRESSAVG: 1339600 4.14979 -17.0499 -1.08718 -21.4332 -16.5583 -36.4155 -3.20078 -41.5281 12.4782 TIMING: 1339600 CPU: 3994.44, 0.00298065/step Wall: 3994.44, 0.00298065/step, 3.03066 hours remaining, 208.121094 MB of memory in use. ENERGY: 1339600 761.6488 2108.7301 1930.9266 108.5835 -206436.0186 17991.0622 0.0000 0.0000 34262.5730 -149272.4943 299.2236 -183535.0673 -149170.4903 299.0072 31.7954 63.6813 557870.0206 -0.0011 0.0232 PRESSURE: 1339800 -28.1535 -42.8408 -197.816 -42.841 -24.2313 12.1311 -197.816 12.1286 -79.0023 GPRESSURE: 1339800 -22.4295 -30.1152 -206.482 19.0904 71.0519 31.9593 -199.156 94.881 -77.5353 PRESSAVG: 1339800 -6.06545 -7.42776 -16.3256 -7.42781 16.2953 -16.945 -16.3256 -16.9451 -10.8332 GPRESSAVG: 1339800 -5.26716 -10.1195 -16.1515 -7.67079 15.4599 -17.7733 -16.7519 -16.9356 -10.5207 TIMING: 1339800 CPU: 3995.03, 0.00296939/step Wall: 3995.03, 0.00296939/step, 3.01904 hours remaining, 208.121094 MB of memory in use. ENERGY: 1339800 753.0120 2055.1956 1887.3629 98.7095 -206265.9462 17889.2846 0.0000 0.0000 34173.8570 -149408.5247 298.4488 -183582.3817 -149315.5835 299.2520 -43.7957 -9.6377 558005.3903 -0.2011 -0.1093 PRESSURE: 1340000 -102.726 -80.91 36.1454 -80.9101 -269.836 -96.9173 36.1454 -96.9178 -30.133 GPRESSURE: 1340000 -94.7566 -69.9673 47.6541 -20.303 -253.37 -99.5619 94.3047 -41.5376 28.7337 PRESSAVG: 1340000 -28.3884 -34.7555 -43.456 -34.7557 -13.8161 -20.2267 -43.456 -20.2268 20.768 GPRESSAVG: 1340000 -29.4045 -31.8149 -43.4723 -34.2463 -12.1123 -19.6866 -41.5791 -19.2615 20.3564 TIMING: 1340000 CPU: 3995.62, 0.00297047/step Wall: 3995.62, 0.00297047/step, 3.01998 hours remaining, 208.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1340000 760.3471 2028.5407 1948.7355 105.8432 -205820.1720 17662.8479 0.0000 0.0000 34042.5056 -149271.3519 297.3017 -183313.8575 -149175.5637 298.9685 -134.2315 -106.4645 558172.0133 -7.1455 -7.0535 PRESSURE: 1340200 -118.621 37.8541 -52.2286 37.8542 22.4325 161.232 -52.2288 161.232 -330.572 GPRESSURE: 1340200 -91.8193 93.0793 56.0634 -23.0383 27.9756 188.677 -173.35 124.825 -264.857 PRESSAVG: 1340200 39.6141 -13.0182 0.704675 -13.0181 -8.1138 21.5929 0.704754 21.5928 8.63535 GPRESSAVG: 1340200 38.8985 -13.0382 1.57919 -15.5721 -8.19634 22.7431 -2.62598 21.4103 9.40203 TIMING: 1340200 CPU: 3996.22, 0.00297614/step Wall: 3996.22, 0.00297614/step, 3.02558 hours remaining, 208.121094 MB of memory in use. ENERGY: 1340200 753.0936 2056.0391 1932.0143 116.7418 -206136.0129 17645.7036 0.0000 0.0000 34396.4008 -149236.0198 300.3923 -183632.4205 -149137.5244 299.7462 -142.2534 -109.5669 558621.9632 13.3786 13.3681 LDB: ============= START OF LOAD BALANCING ============== 3999.77 LDB: ============== END OF LOAD BALANCING =============== 3999.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3999.77 LDB: ============= START OF LOAD BALANCING ============== 4000.07 LDB: Largest compute 4773 load 0.024440 is 20.7% of average load 0.118133 LDB: Average compute 0.001718 is 1.5% of average load 0.118133 LDB: TIME 4000.07 LOAD: AVG 0.118133 MAX 0.212921 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.43 MB LDB: TIME 4000.07 LOAD: AVG 0.118133 MAX 0.212921 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.633 MB LDB: TIME 4000.07 LOAD: AVG 0.118133 MAX 0.212921 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.633 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4000.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4000.08 PRESSURE: 1340400 -137.601 5.88229 -242.768 5.88242 -4.02024 41.9114 -242.767 41.9103 -208.312 GPRESSURE: 1340400 -116.821 -49.4957 -175.625 -16.2408 16.7934 108.218 -228.954 1.40983 -142.94 PRESSAVG: 1340400 -62.2565 -4.39285 -20.7315 -4.39283 74.3309 -23.4787 -20.7316 -23.4788 -44.4144 GPRESSAVG: 1340400 -61.2904 -7.41769 -21.2734 -0.253407 73.0415 -23.971 -18.1455 -24.8472 -43.758 TIMING: 1340400 CPU: 3996.83, 0.00305676/step Wall: 3996.83, 0.00305676/step, 3.10736 hours remaining, 208.562500 MB of memory in use. ENERGY: 1340400 787.9937 2095.1989 1911.9418 110.8692 -206402.5580 17892.5427 0.0000 0.0000 34437.1227 -149166.8889 300.7480 -183604.0117 -149068.2411 299.6607 -116.6444 -80.9890 558305.5626 -10.7800 -10.6689 PRESSURE: 1340600 50.4292 -150.713 4.51252 -150.713 93.9778 -47.3856 4.51357 -47.3865 -110.584 GPRESSURE: 1340600 56.1316 -52.709 -41.7833 -158.56 90.9565 -30.3113 45.356 9.8385 -13.1645 PRESSAVG: 1340600 29.076 -33.6543 -1.35115 -33.6544 67.3674 31.9053 -1.35106 31.9053 -1.48027 GPRESSAVG: 1340600 29.5014 -32.55 -1.31952 -36.5798 68.07 31.0628 -2.60008 33.8522 -1.86385 TIMING: 1340600 CPU: 3997.43, 0.00300292/step Wall: 3997.43, 0.00300292/step, 3.05247 hours remaining, 208.562500 MB of memory in use. ENERGY: 1340600 749.1860 2114.0640 1922.5228 110.2568 -206523.1398 17960.5484 0.0000 0.0000 34415.1180 -149251.4437 300.5558 -183666.5617 -149156.1646 300.1784 11.2745 44.6412 557734.6997 31.6544 31.9025 PRESSURE: 1340800 -207.568 34.1083 18.4754 34.1084 115.069 40.7871 18.4752 40.7868 100.365 GPRESSURE: 1340800 -142.892 97.2338 -32.9076 34.8331 114.151 -24.6861 9.86853 45.1186 129.072 PRESSAVG: 1340800 27.6594 0.917214 -3.55996 0.917241 -36.7999 -0.355791 -3.55998 -0.355742 -3.28342 GPRESSAVG: 1340800 27.1658 0.329512 -3.65195 3.22268 -36.9575 -0.0195252 -3.75534 -1.31449 -3.40522 TIMING: 1340800 CPU: 3998.03, 0.00300769/step Wall: 3998.03, 0.0030077/step, 3.05716 hours remaining, 208.562500 MB of memory in use. ENERGY: 1340800 742.6202 2073.1234 1927.0487 105.6529 -206110.3281 17760.7213 0.0000 0.0000 34267.9676 -149233.1939 299.2707 -183501.1615 -149138.5637 299.9067 2.6224 33.4435 558421.9512 -4.1413 -4.3990 PRESSURE: 1341000 -31.5885 60.9399 -31.1016 60.9403 102.223 -99.2968 -31.1011 -99.2971 -184.085 GPRESSURE: 1341000 75.7603 5.50561 19.548 148.938 112.548 -68.3252 -28.5064 -184.49 -195.517 PRESSAVG: 1341000 38.0617 39.4716 -24.1123 39.4716 21.7298 -50.8351 -24.1122 -50.8351 -72.3027 GPRESSAVG: 1341000 36.5157 38.8721 -26.3636 40.0204 23.0197 -50.0377 -22.6538 -52.8579 -72.9345 TIMING: 1341000 CPU: 3998.64, 0.00305135/step Wall: 3998.64, 0.00305135/step, 3.10135 hours remaining, 208.562500 MB of memory in use. ENERGY: 1341000 762.4677 2096.0416 1914.2820 92.5949 -206252.3743 17792.6082 0.0000 0.0000 34404.2740 -149190.1060 300.4611 -183594.3800 -149094.4454 299.9587 -37.8167 -2.4030 556883.4317 -4.1704 -4.4664 PRESSURE: 1341200 82.6121 -56.4854 -85.5285 -56.4856 -121.369 -10.1751 -85.5294 -10.1747 48.205 GPRESSURE: 1341200 75.5209 -26.5919 -26.3256 -13.2075 -49.2466 41.9949 -128.004 27.3354 81.0188 PRESSAVG: 1341200 40.0472 -18.443 -24.8658 -18.443 6.27372 -32.243 -24.8657 -32.2431 -28.7603 GPRESSAVG: 1341200 41.1831 -15.3468 -23.8373 -21.6585 5.38389 -32.1525 -25.8272 -32.3251 -29.0412 TIMING: 1341200 CPU: 3999.25, 0.00303946/step Wall: 3999.25, 0.00303946/step, 3.08911 hours remaining, 208.562500 MB of memory in use. ENERGY: 1341200 766.3839 2054.9377 1924.6115 115.0986 -206076.2515 17821.2872 0.0000 0.0000 34208.3416 -149185.5908 298.7500 -183393.9325 -149089.3763 299.7976 3.1493 35.7644 557485.6873 5.8536 5.8419 PRESSURE: 1341400 -28.5635 -24.9739 -176.092 -24.9753 54.8274 204.717 -176.091 204.717 396.429 GPRESSURE: 1341400 -7.95714 -21.8379 -137.46 -21.0073 82.4436 157.884 -200.337 244.946 438.654 PRESSAVG: 1341400 -50.2834 -28.6745 -49.4966 -28.6745 -9.5852 12.9969 -49.4966 12.997 39.8352 GPRESSAVG: 1341400 -50.2132 -32.0898 -48.9482 -27.2035 -10.2192 12.1144 -49.4125 13.5 39.8871 TIMING: 1341400 CPU: 3999.85, 0.00299069/step Wall: 3999.85, 0.00299069/step, 3.03937 hours remaining, 208.562500 MB of memory in use. ENERGY: 1341400 753.4946 2044.0947 1916.9734 106.3203 -206477.2143 18262.3796 0.0000 0.0000 34299.4521 -149094.4997 299.5456 -183393.9518 -148997.2537 299.3458 140.8977 171.0468 558736.7753 -6.6778 -6.8484 PRESSURE: 1341600 41.8997 118.829 -165.79 118.828 -198.797 -11.3179 -165.789 -11.3176 -137.044 GPRESSURE: 1341600 73.1536 140.184 -165.451 84.5543 -165.402 25.6809 -145.374 -38.9887 -101.095 PRESSAVG: 1341600 -29.1152 -5.42702 -34.391 -5.42697 -47.7232 6.76673 -34.3912 6.76685 62.3985 GPRESSAVG: 1341600 -28.3939 -4.40023 -36.0725 -3.33359 -47.7498 7.12754 -34.1061 6.93477 62.1125 TIMING: 1341600 CPU: 4000.45, 0.00299042/step Wall: 4000.45, 0.00299042/step, 3.03893 hours remaining, 208.562500 MB of memory in use. ENERGY: 1341600 752.5601 2043.5642 1949.4665 124.5891 -205916.7962 17705.9027 0.0000 0.0000 34135.9100 -149204.8037 298.1174 -183340.7136 -149113.6198 299.2636 -97.9806 -64.4480 558485.4106 -4.8133 -4.6771 PRESSURE: 1341800 19.3848 -10.2239 47.3097 -10.2232 -219.621 57.6514 47.3091 57.6519 -346.509 GPRESSURE: 1341800 38.9396 -21.0213 90.6798 41.2841 -150.652 97.4399 68.3441 -36.5435 -347.078 PRESSAVG: 1341800 70.1272 -45.5609 20.046 -45.5609 -2.90287 12.9863 20.0461 12.9863 -49.5121 GPRESSAVG: 1341800 69.4151 -45.6248 22.109 -45.2372 -3.05362 12.3218 20.3435 15.2454 -49.2808 TIMING: 1341800 CPU: 4001.06, 0.00304269/step Wall: 4001.06, 0.00304269/step, 3.09188 hours remaining, 208.687500 MB of memory in use. ENERGY: 1341800 741.1919 2112.6521 1940.0154 112.2208 -205926.4164 17538.0942 0.0000 0.0000 34245.9064 -149236.3356 299.0780 -183482.2419 -149147.5363 298.7929 -182.2484 -152.9300 558635.2234 5.9041 5.6936 PRESSURE: 1342000 -55.7977 -9.00015 -41.3083 -9.0003 178.161 18.9054 -41.3078 18.9046 0.183056 GPRESSURE: 1342000 21.857 -51.4376 -102.608 5.33307 184.311 58.1647 -54.1617 54.9944 27.0071 PRESSAVG: 1342000 16.8623 -38.4701 4.47737 -38.4702 -40.0404 16.632 4.4774 16.632 -1.37755 GPRESSAVG: 1342000 17.4711 -37.5521 4.95173 -39.4372 -39.9387 16.7459 4.6466 15.5532 -1.69435 TIMING: 1342000 CPU: 4001.66, 0.00302067/step Wall: 4001.66, 0.00302067/step, 3.06934 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1342000 707.5177 2026.6196 1922.5356 115.9098 -206195.4474 17864.6986 0.0000 0.0000 34256.8990 -149301.2671 299.1740 -183558.1661 -149198.3596 299.6305 40.8487 77.7250 559202.7402 -8.1852 -8.0540 PRESSURE: 1342200 36.4886 9.16096 -147.591 9.16043 118.451 -95.3856 -147.59 -95.3849 14.1496 GPRESSURE: 1342200 139.309 85.6959 -154.674 10.7046 91.724 -60.1686 -145.864 -66.9386 27.5136 PRESSAVG: 1342200 -63.1993 -6.84185 -50.07 -6.8419 56.2438 -0.696674 -50.0701 -0.696521 3.7752 GPRESSAVG: 1342200 -63.4386 -5.86315 -52.5042 -7.03131 56.7717 1.31307 -50.0876 -1.08147 4.34736 TIMING: 1342200 CPU: 4002.26, 0.00298625/step Wall: 4002.26, 0.00298625/step, 3.0342 hours remaining, 208.687500 MB of memory in use. ENERGY: 1342200 740.4790 2027.2229 1929.1175 107.0232 -206520.3499 18043.8535 0.0000 0.0000 34298.3270 -149374.3269 299.5358 -183672.6539 -149280.4372 299.1468 56.3630 86.1821 558106.3593 -1.0601 -0.7732 PRESSURE: 1342400 -139.477 129.106 -146.931 129.106 -158.172 88.7182 -146.929 88.7216 -36.44 GPRESSURE: 1342400 -104.501 101.452 -78.0644 105.79 -150.342 71.982 -200.846 179.282 10.1358 PRESSAVG: 1342400 7.00572 3.30802 -53.103 3.30801 -38.7808 30.2851 -53.103 30.2851 -2.49362 GPRESSAVG: 1342400 6.69315 0.822046 -51.2548 3.59913 -38.3111 29.5251 -54.1255 30.5498 -2.89682 TIMING: 1342400 CPU: 4002.86, 0.0029948/step Wall: 4002.86, 0.0029948/step, 3.04271 hours remaining, 208.687500 MB of memory in use. ENERGY: 1342400 760.9317 2087.5774 1921.8991 108.3750 -206073.1729 17708.0216 0.0000 0.0000 34088.5754 -149397.7927 297.7040 -183486.3681 -149300.5407 299.3171 -111.3633 -81.5689 557930.6537 -11.4229 -11.5049 PRESSURE: 1342600 -174.492 -71.3649 166.522 -71.3649 -139.303 62.275 166.521 62.2748 -193.342 GPRESSURE: 1342600 -149.732 -76.1474 136.419 -43.4989 -68.3757 30.1625 130.633 72.9495 -183.13 PRESSAVG: 1342600 -0.246098 68.0685 -15.3649 68.0684 -50.807 38.6175 -15.3649 38.6175 35.3771 GPRESSAVG: 1342600 0.799916 68.578 -16.1695 68.9441 -51.0257 36.6807 -14.111 38.6811 34.1926 TIMING: 1342600 CPU: 4003.46, 0.00299582/step Wall: 4003.46, 0.00299582/step, 3.04359 hours remaining, 208.687500 MB of memory in use. ENERGY: 1342600 729.8856 2067.3200 1939.2902 107.9537 -205644.3594 17422.8786 0.0000 0.0000 34031.1928 -149345.8385 297.2029 -183377.0313 -149249.1511 299.1051 -169.0457 -133.7459 558108.2961 -5.2253 -5.3444 PRESSURE: 1342800 192.156 77.6256 -139.853 77.6263 -77.4398 99.4157 -139.853 99.416 61.1869 GPRESSURE: 1342800 187.75 100.037 -140.143 82.3413 -34.398 119.602 -40.8659 72.6402 129.348 PRESSAVG: 1342800 -31.992 7.7265 -1.0037 7.72662 15.653 -5.02488 -1.00361 -5.02495 14.6871 GPRESSAVG: 1342800 -31.8802 9.31855 -0.430779 5.53225 14.6424 -3.72816 -1.0263 -6.58198 15.551 TIMING: 1342800 CPU: 4004.05, 0.00298631/step Wall: 4004.05, 0.00298631/step, 3.03376 hours remaining, 208.687500 MB of memory in use. ENERGY: 1342800 731.8834 2041.3167 1922.1912 110.9930 -206436.4001 17935.6065 0.0000 0.0000 34383.7525 -149310.6569 300.2819 -183694.4094 -149213.7120 298.6792 58.6345 94.2331 557255.5388 -0.5506 -0.5623 PRESSURE: 1343000 9.40844 -55.9102 -59.3788 -55.9103 -85.3772 74.1991 -59.3785 74.1984 78.9912 GPRESSURE: 1343000 66.8198 -64.2835 -18.7747 1.28861 -53.4642 -28.2944 -91.9159 60.3657 89.3472 PRESSAVG: 1343000 8.61695 -3.23923 17.6165 -3.23913 2.58865 -27.6224 17.6166 -27.6223 -43.4056 GPRESSAVG: 1343000 8.09384 -4.44744 16.2541 -1.43442 2.73852 -30.4113 20.3459 -26.9032 -43.7336 TIMING: 1343000 CPU: 4004.65, 0.00298954/step Wall: 4004.65, 0.00298954/step, 3.03688 hours remaining, 208.687500 MB of memory in use. ENERGY: 1343000 746.8250 2097.0207 1920.8259 117.8917 -206411.9269 17861.7036 0.0000 0.0000 34364.2634 -149303.3965 300.1117 -183667.6599 -149213.0189 298.5970 1.0075 34.2343 557761.4613 -10.7333 -10.9671 PRESSURE: 1343200 -147.637 -121.736 80.7749 -121.737 159.186 -45.9716 80.775 -45.9728 390.804 GPRESSURE: 1343200 -135.354 -124.915 149.797 -185.353 218.663 -127.994 108.15 113.752 393.251 PRESSAVG: 1343200 13.7486 -36.727 -7.05271 -36.7271 -30.4348 -10.4308 -7.05269 -10.4308 46.2247 GPRESSAVG: 1343200 13.6787 -38.2078 -5.10664 -37.0033 -29.797 -8.63771 -9.74217 -8.82444 45.9381 TIMING: 1343200 CPU: 4005.25, 0.00298509/step Wall: 4005.25, 0.00298509/step, 3.03219 hours remaining, 208.687500 MB of memory in use. ENERGY: 1343200 709.7883 2053.7812 1946.7643 110.6843 -206368.0871 17984.9485 0.0000 0.0000 34247.1669 -149314.9534 299.0890 -183562.1204 -149214.2202 298.8435 134.1177 158.8533 557161.6002 9.8462 9.9399 PRESSURE: 1343400 -330.513 -14.7132 -26.7597 -14.7129 -108.47 -90.9618 -26.761 -90.9603 -342.823 GPRESSURE: 1343400 -321.9 41.5841 -34.5531 22.1047 -96.2635 -149.782 4.72877 -124.235 -261.144 PRESSAVG: 1343400 -80.708 -67.3046 -17.9447 -67.3046 53.0401 47.7846 -17.9448 47.7846 87.0915 GPRESSAVG: 1343400 -81.8004 -64.6166 -19.9575 -67.1888 52.7831 47.6533 -16.216 46.0716 88.2145 TIMING: 1343400 CPU: 4005.85, 0.00300538/step Wall: 4005.85, 0.00300538/step, 3.05263 hours remaining, 208.687500 MB of memory in use. ENERGY: 1343400 777.6390 2085.9588 1920.8521 112.3263 -205862.0666 17402.7791 0.0000 0.0000 34214.5087 -149348.0026 298.8038 -183562.5113 -149247.8146 299.1638 -260.6018 -226.4358 558659.1158 19.8078 19.7324 PRESSURE: 1343600 13.2329 29.4755 -111.466 29.4747 90.8216 -73.5534 -111.466 -73.5533 27.947 GPRESSURE: 1343600 -8.90134 -18.5434 -85.2036 -4.2136 191.934 -151.896 -66.8279 -30.0538 36.2321 PRESSAVG: 1343600 -20.553 -43.913 -14.7219 -43.913 0.198467 -12.3994 -14.7219 -12.3994 22.8563 GPRESSAVG: 1343600 -20.3213 -45.2083 -13.735 -45.7242 0.267394 -11.7702 -16.6196 -10.8512 22.3911 TIMING: 1343600 CPU: 4006.44, 0.00296297/step Wall: 4006.44, 0.00296297/step, 3.00939 hours remaining, 208.687500 MB of memory in use. ENERGY: 1343600 755.2444 2027.4447 1931.7557 101.6486 -206554.6341 18172.2770 0.0000 0.0000 34182.4586 -149383.8051 298.5239 -183566.2638 -149282.0986 299.0829 44.0005 73.0884 558427.3038 0.8339 0.7791 PRESSURE: 1343800 -117.821 57.4465 -101.445 57.4476 -218.701 78.179 -101.445 78.1789 -295.642 GPRESSURE: 1343800 -9.07348 44.8484 -138.911 94.9531 -245.995 59.4487 -104.015 115.162 -285.378 PRESSAVG: 1343800 15.7072 2.68244 -43.3819 2.68242 43.5171 11.7697 -43.3819 11.7697 -50.4133 GPRESSAVG: 1343800 16.4899 3.58452 -46.2248 4.54462 41.2011 13.6736 -42.2898 10.6626 -48.8404 TIMING: 1343800 CPU: 4007.04, 0.0029892/step Wall: 4007.04, 0.0029892/step, 3.03586 hours remaining, 208.687500 MB of memory in use. ENERGY: 1343800 797.5085 2055.3332 1918.4093 107.8998 -206159.3281 17717.5433 0.0000 0.0000 34150.5270 -149412.1070 298.2450 -183562.6340 -149308.7089 298.9980 -210.7213 -180.1487 557747.6630 2.9370 2.9502 PRESSURE: 1344000 -167.216 85.4003 -59.5416 85.4008 -30.1885 -176.55 -59.5394 -176.551 -26.4863 GPRESSURE: 1344000 -64.6881 50.9116 -14.2919 150.024 7.67449 -171.144 -117.295 -154.25 -68.036 PRESSAVG: 1344000 28.7491 -1.96187 -9.09459 -1.96183 34.9226 -34.1645 -9.09459 -34.1645 -24.961 GPRESSAVG: 1344000 28.8865 -5.08847 -6.01976 -2.96367 36.7476 -36.6275 -9.60438 -34.4365 -26.3925 TIMING: 1344000 CPU: 4007.63, 0.00295807/step Wall: 4007.63, 0.00295807/step, 3.00409 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1344000 754.6640 2139.2042 1930.3122 120.1977 -206096.2380 17484.3348 0.0000 0.0000 34182.3901 -149485.1350 298.5233 -183667.5251 -149393.0150 299.3377 -74.6302 -41.6832 555962.8036 12.9035 13.0805 PRESSURE: 1344200 -125.378 93.2245 -39.3192 93.225 67.3282 118.141 -39.3176 118.142 294.287 GPRESSURE: 1344200 -113.087 115.911 -57.7447 58.9089 114.235 127.584 -52.2542 73.128 336.348 PRESSAVG: 1344200 39.2261 0.708374 11.9761 0.708452 -60.0277 -0.309837 11.9761 -0.309828 -4.39102 GPRESSAVG: 1344200 38.73 4.61839 10.6998 0.174549 -59.9868 0.171426 11.3488 -0.620724 -4.08991 TIMING: 1344200 CPU: 4008.23, 0.00297512/step Wall: 4008.23, 0.00297512/step, 3.02124 hours remaining, 208.687500 MB of memory in use. ENERGY: 1344200 763.9075 2141.7841 1931.3660 108.9802 -206832.5037 18064.0870 0.0000 0.0000 34320.9848 -149501.3941 299.7337 -183822.3789 -149410.9316 298.6766 78.7458 112.4991 555659.2097 -8.3975 -8.4489 LDB: ============= START OF LOAD BALANCING ============== 4011.78 LDB: ============== END OF LOAD BALANCING =============== 4011.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4011.78 LDB: ============= START OF LOAD BALANCING ============== 4012.08 LDB: Largest compute 4774 load 0.026731 is 22.6% of average load 0.118142 LDB: Average compute 0.001721 is 1.5% of average load 0.118142 LDB: TIME 4012.08 LOAD: AVG 0.118142 MAX 0.2146 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 4012.08 LOAD: AVG 0.118142 MAX 0.2146 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: TIME 4012.08 LOAD: AVG 0.118142 MAX 0.2146 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4012.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4012.09 PRESSURE: 1344400 -187.008 40.6722 -54.2919 40.6726 -54.6438 -102.64 -54.292 -102.639 -17.0227 GPRESSURE: 1344400 -136.399 66.3178 29.3993 61.2717 -19.4714 -194.795 -73.1123 -118.144 -22.567 PRESSAVG: 1344400 -46.0299 22.3439 -13.7636 22.3439 69.8613 -13.6039 -13.7636 -13.604 -12.074 GPRESSAVG: 1344400 -45.9849 20.6259 -14.5588 21.7061 69.835 -15.4945 -12.3115 -14.1876 -11.6235 TIMING: 1344400 CPU: 4008.84, 0.00306934/step Wall: 4008.84, 0.00306934/step, 3.11675 hours remaining, 206.714844 MB of memory in use. ENERGY: 1344400 725.9626 2044.2611 1927.1028 109.2366 -206140.8376 17652.0595 0.0000 0.0000 34139.6447 -149542.5703 298.1500 -183682.2150 -149453.6500 298.7882 -86.2247 -59.4793 557558.1727 3.9191 4.0756 PRESSURE: 1344600 92.1439 40.0829 -110.955 40.0842 147.864 -50.3492 -110.956 -50.3499 74.1455 GPRESSURE: 1344600 128.309 49.9475 -153.711 -9.0426 151.494 -57.6254 -128.448 7.45014 127.14 PRESSAVG: 1344600 -31.1674 1.14872 2.64983 1.14861 -2.39128 -44.3941 2.64985 -44.3941 35.2576 GPRESSAVG: 1344600 -31.163 -0.629487 3.78337 2.61451 -1.64528 -43.4501 0.784576 -43.2505 34.07 TIMING: 1344600 CPU: 4009.45, 0.00303754/step Wall: 4009.45, 0.00303754/step, 3.08429 hours remaining, 206.714844 MB of memory in use. ENERGY: 1344600 736.5760 2096.4202 1921.8350 109.6403 -206374.7287 17792.3858 0.0000 0.0000 34295.9077 -149421.9637 299.5147 -183717.8713 -149326.9075 298.8807 104.7180 135.6474 555333.4232 0.5663 0.4206 PRESSURE: 1344800 -17.5317 57.2277 -56.3673 57.228 54.6713 39.4804 -56.3668 39.4805 -38.148 GPRESSURE: 1344800 23.6033 127.175 -157.128 -10.6145 58.4641 121.256 -31.9226 -7.87135 6.5175 PRESSAVG: 1344800 -3.37851 13.3883 13.9126 13.3883 -31.8165 28.5497 13.9126 28.5499 79.2671 GPRESSAVG: 1344800 -4.4997 15.2349 11.5123 11.4428 -33.3562 30.5172 17.2716 26.9887 81.956 TIMING: 1344800 CPU: 4010.05, 0.00300742/step Wall: 4010.05, 0.00300742/step, 3.05353 hours remaining, 206.714844 MB of memory in use. ENERGY: 1344800 764.4569 2018.0457 1895.4649 103.4948 -206422.5530 18011.1288 0.0000 0.0000 34105.9152 -149524.0467 297.8554 -183629.9619 -149431.9143 298.6085 -0.3361 29.5283 557480.3241 14.6907 14.7001 PRESSURE: 1345000 -184.974 -152.419 -130.563 -152.419 93.659 163.261 -130.563 163.261 242.175 GPRESSURE: 1345000 -143.876 -247.92 -179.122 -166.702 64.6757 172.114 -178.809 233.419 334.089 PRESSAVG: 1345000 -14.45 -62.1576 17.0372 -62.1576 -4.09487 84.4748 17.0372 84.4746 -19.3641 GPRESSAVG: 1345000 -13.2089 -61.113 20.012 -59.4231 -3.51793 79.3397 16.9696 86.2219 -21.1172 TIMING: 1345000 CPU: 4010.65, 0.00302936/step Wall: 4010.65, 0.00302936/step, 3.07564 hours remaining, 206.714844 MB of memory in use. ENERGY: 1345000 720.5336 2071.1326 1930.0052 105.6925 -206839.0958 18038.7488 0.0000 0.0000 34314.6600 -149658.3232 299.6785 -183972.9832 -149557.0595 298.4942 50.2869 84.9626 556418.3413 -12.6363 -12.6147 PRESSURE: 1345200 55.8859 354.049 103.337 354.048 -51.6801 -27.1535 103.336 -27.1531 215.29 GPRESSURE: 1345200 89.5143 358.103 101.325 319.481 35.6036 3.72685 104.501 -38.5516 180.687 PRESSAVG: 1345200 -73.914 22.476 23.891 22.476 66.4474 20.3786 23.891 20.3787 10.7252 GPRESSAVG: 1345200 -73.6104 21.4357 23.9479 21.4325 66.225 23.3537 20.8971 19.273 10.8477 TIMING: 1345200 CPU: 4011.26, 0.00303735/step Wall: 4011.26, 0.00303735/step, 3.08358 hours remaining, 206.714844 MB of memory in use. ENERGY: 1345200 723.1789 2052.5482 1919.0197 107.5682 -206361.5731 17753.7878 0.0000 0.0000 34164.0766 -149641.3937 298.3634 -183805.4702 -149548.3425 297.8968 73.1652 101.9350 556156.0112 1.0862 1.1541 PRESSURE: 1345400 -207.504 15.9386 -19.9157 15.9395 155.991 106.143 -19.9161 106.144 -63.2133 GPRESSURE: 1345400 -216.825 -6.87604 -41.7061 -0.499146 206.658 100.308 -17.6232 178.706 -16.9368 PRESSAVG: 1345400 -13.1127 70.5527 7.19309 70.5527 -59.0604 -7.47149 7.193 -7.47147 24.4089 GPRESSAVG: 1345400 -13.0624 71.2287 7.08468 70.1821 -59.4379 -8.50092 8.54638 -5.23163 24.5428 TIMING: 1345400 CPU: 4011.87, 0.00302157/step Wall: 4011.87, 0.00302157/step, 3.0674 hours remaining, 206.714844 MB of memory in use. ENERGY: 1345400 738.3839 2115.3776 1925.7046 119.3034 -206561.1379 17915.2361 0.0000 0.0000 33997.5307 -149749.6016 296.9089 -183747.1323 -149658.5784 297.2747 -38.2422 -9.0346 556983.9068 -15.9214 -15.9858 PRESSURE: 1345600 233.049 175.265 -36.455 175.263 169.705 -89.0692 -36.4538 -89.0669 -88.1584 GPRESSURE: 1345600 216.242 219.22 -84.9109 71.098 206.564 -50.032 9.7853 -162.626 -5.51014 PRESSAVG: 1345600 -21.9898 4.67752 -12.1014 4.67757 31.3627 14.04 -12.1012 14.0399 37.4738 GPRESSAVG: 1345600 -21.7736 4.88078 -12.4721 3.16797 31.6556 15.2939 -11.4891 13.1079 36.6258 TIMING: 1345600 CPU: 4012.47, 0.00299915/step Wall: 4012.47, 0.00299915/step, 3.04447 hours remaining, 206.714844 MB of memory in use. ENERGY: 1345600 829.8826 2057.3452 1924.9959 100.2604 -206960.1456 18140.9893 0.0000 0.0000 34301.1528 -149605.5194 299.5605 -183906.6722 -149510.5818 298.1704 104.8652 139.0987 555007.3152 15.6156 15.5026 PRESSURE: 1345800 -52.7062 -48.195 34.7216 -48.1944 -88.2083 99.5409 34.722 99.5405 309.074 GPRESSURE: 1345800 9.31759 -12.4977 64.7663 -137.02 -3.22662 84.5407 21.399 97.5655 267.59 PRESSAVG: 1345800 -36.0623 57.8557 19.1406 57.8557 -51.4231 25.6239 19.1407 25.6239 0.422814 GPRESSAVG: 1345800 -37.0216 56.7338 20.0688 59.9467 -50.5135 26.0465 18.8865 25.7529 -0.104192 TIMING: 1345800 CPU: 4013.06, 0.00299068/step Wall: 4013.06, 0.00299068/step, 3.0357 hours remaining, 206.714844 MB of memory in use. ENERGY: 1345800 726.6363 2063.6872 1913.7831 110.6970 -205981.8929 17642.1165 0.0000 0.0000 34191.5864 -149333.3864 298.6036 -183524.9728 -149235.3881 298.4020 56.0531 91.2269 556282.6961 -29.0209 -29.2131 PRESSURE: 1346000 -38.7153 45.8098 -58.1975 45.8092 115.683 -62.7066 -58.1974 -62.7059 -86.4707 GPRESSURE: 1346000 -54.9669 62.6704 -17.0493 18.7471 173.437 -81.9482 -103.68 -3.03556 -36.8221 PRESSAVG: 1346000 -14.5851 -38.7671 16.6778 -38.767 69.2608 11.3308 16.6778 11.3309 -33.8634 GPRESSAVG: 1346000 -15.5281 -39.4088 14.6688 -38.1129 69.2925 12.3045 16.4972 10.9934 -32.8846 TIMING: 1346000 CPU: 4013.66, 0.00299922/step Wall: 4013.66, 0.00299922/step, 3.04421 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1346000 743.8913 2137.2164 1897.0347 104.0935 -205893.7477 17576.4370 0.0000 0.0000 34216.9968 -149218.0779 298.8255 -183435.0747 -149114.2147 298.8860 -3.1676 27.2158 555067.2518 6.9374 6.9599 PRESSURE: 1346200 -22.1052 -136.134 78.5909 -136.135 44.0971 14.0054 78.5915 14.0051 -143.32 GPRESSURE: 1346200 19.474 -175.874 148.109 -163.195 79.4281 66.7139 41.4798 -40.0365 -120.017 PRESSAVG: 1346200 -28.2491 8.74257 -1.80138 8.74252 41.8615 15.835 -1.80143 15.8349 32.5776 GPRESSAVG: 1346200 -27.3129 8.04002 -2.21986 9.49445 41.5918 15.1331 -1.52857 15.4036 32.2134 TIMING: 1346200 CPU: 4014.27, 0.00302144/step Wall: 4014.27, 0.00302144/step, 3.06659 hours remaining, 206.714844 MB of memory in use. ENERGY: 1346200 726.7103 2071.7615 1909.2787 119.5967 -206006.2495 17564.3491 0.0000 0.0000 34240.8015 -149373.7516 299.0334 -183614.5532 -149274.4978 298.4905 -40.4426 -7.0382 555974.5854 15.3967 15.4974 PRESSURE: 1346400 -98.4984 88.8619 139.289 88.8627 -266.502 19.9419 139.289 19.9427 41.948 GPRESSURE: 1346400 -74.0473 58.5055 95.4186 -62.7064 -175.696 -20.0202 111.719 115.307 35.4634 PRESSAVG: 1346400 -10.5845 51.6511 56.6806 51.6511 11.6882 -0.681079 56.6805 -0.680972 -22.566 GPRESSAVG: 1346400 -9.90055 52.1683 59.2046 49.6614 11.0874 -0.331824 55.972 -1.70277 -23.3339 TIMING: 1346400 CPU: 4014.87, 0.00298578/step Wall: 4014.87, 0.00298578/step, 3.03024 hours remaining, 206.714844 MB of memory in use. ENERGY: 1346400 806.5462 2041.2953 1888.4333 117.4514 -206147.1011 17735.8381 0.0000 0.0000 34321.4828 -149236.0540 299.7380 -183557.5368 -149139.4303 298.8815 -107.6843 -71.4265 557596.1054 -7.1541 -7.3824 PRESSURE: 1346600 -345.505 -6.92729 173.265 -6.92693 -208.176 100.328 173.264 100.329 -385.319 GPRESSURE: 1346600 -293.953 -19.035 170.386 79.1266 -196.456 126.17 156.655 -40.9697 -363.045 PRESSAVG: 1346600 -47.8986 -1.22766 12.0184 -1.22761 42.6327 29.9754 12.0184 29.9753 4.92015 GPRESSAVG: 1346600 -48.3346 -0.458493 11.3163 -0.743141 42.6936 27.6056 11.7422 32.3364 5.88483 TIMING: 1346600 CPU: 4015.46, 0.0029937/step Wall: 4015.46, 0.0029937/step, 3.0381 hours remaining, 206.714844 MB of memory in use. ENERGY: 1346600 757.9924 2078.5951 1923.9954 112.4235 -205720.8213 17338.8213 0.0000 0.0000 34428.4113 -149080.5824 300.6719 -183508.9936 -148982.6055 299.3951 -313.0000 -284.4844 556607.1421 -0.1153 0.0813 PRESSURE: 1346800 -96.307 22.0163 -47.0302 22.0146 -266.719 9.85066 -47.0305 9.85045 9.01963 GPRESSURE: 1346800 -21.718 24.8947 -122.01 24.6056 -240.525 -31.2135 38.7149 33.9944 -0.146272 PRESSAVG: 1346800 -3.3728 8.75967 -4.10795 8.75962 2.72956 -6.19975 -4.10799 -6.19983 -23.6151 GPRESSAVG: 1346800 -2.27418 9.33786 -3.73462 8.69895 2.82263 -4.56439 -3.94412 -5.96815 -24.6629 TIMING: 1346800 CPU: 4016.06, 0.00298292/step Wall: 4016.06, 0.00298292/step, 3.027 hours remaining, 206.714844 MB of memory in use. ENERGY: 1346800 717.9083 2106.4102 1927.5562 117.2715 -205676.2780 17495.7124 0.0000 0.0000 34383.9289 -148927.4906 300.2834 -183311.4195 -148831.9053 299.9309 -118.0021 -87.4632 557573.0423 -8.0861 -8.0382 PRESSURE: 1347000 -37.6296 9.64227 113.409 9.64292 6.71048 90.8883 113.407 90.8877 101.816 GPRESSURE: 1347000 35.0067 68.1522 92.8253 -7.90424 -32.5364 67.3416 180.828 139.6 159.445 PRESSAVG: 1347000 -44.9142 4.16188 9.89197 4.16198 54.8568 10.2429 9.89197 10.2429 12.0906 GPRESSAVG: 1347000 -44.7044 2.82882 11.3295 5.55666 52.6518 9.64693 8.80972 10.4826 14.2385 TIMING: 1347000 CPU: 4016.66, 0.00301204/step Wall: 4016.66, 0.00301204/step, 3.05638 hours remaining, 206.714844 MB of memory in use. ENERGY: 1347000 753.4353 2091.1441 1931.8877 115.0087 -205919.1949 17538.0008 0.0000 0.0000 34332.4064 -149157.3119 299.8334 -183489.7183 -149057.5143 299.8550 23.6324 53.9718 556705.6289 7.3444 7.3953 PRESSURE: 1347200 -117.759 -82.5738 -12.054 -82.575 -232.8 20.4715 -12.0546 20.4731 -162.757 GPRESSURE: 1347200 -117.025 -146.258 -77.1466 -30.6945 -187.687 60.8063 -16.2746 -63.5061 -114.686 PRESSAVG: 1347200 -18.5874 2.85275 25.9047 2.85264 11.4842 5.68456 25.9048 5.68452 -14.1651 GPRESSAVG: 1347200 -19.1662 2.14729 25.4556 4.42522 13.0419 5.61941 26.303 4.13431 -14.7776 TIMING: 1347200 CPU: 4017.27, 0.00301877/step Wall: 4017.27, 0.00301877/step, 3.06305 hours remaining, 206.714844 MB of memory in use. ENERGY: 1347200 771.1499 2068.4297 1920.7458 102.0025 -205694.1145 17497.5526 0.0000 0.0000 34225.6938 -149108.5402 298.9015 -183334.2340 -149005.9618 299.5893 -171.1053 -139.7996 558806.2627 -7.0895 -6.9673 PRESSURE: 1347400 29.822 -109.714 145.085 -109.714 -63.7283 179.358 145.085 179.357 32.4946 GPRESSURE: 1347400 28.9373 -61.6735 65.018 -175.209 -12.7955 158.098 173.923 220.828 92.4452 PRESSAVG: 1347400 9.02892 21.9765 -24.1731 21.9764 55.77 43.0873 -24.173 43.0872 -23.8092 GPRESSAVG: 1347400 8.76342 22.2947 -26.1668 22.1211 56.5942 43.2109 -21.9153 44.1111 -24.1085 TIMING: 1347400 CPU: 4017.88, 0.00304833/step Wall: 4017.88, 0.00304833/step, 3.09287 hours remaining, 206.714844 MB of memory in use. ENERGY: 1347400 725.1051 2120.7009 1904.1063 96.1167 -206290.1054 17872.3510 0.0000 0.0000 34462.3388 -149109.3866 300.9682 -183571.7254 -149010.9152 300.0603 -0.4706 36.1957 556525.8332 13.6633 13.7497 PRESSURE: 1347600 37.0656 -267.835 -63.1813 -267.835 163.154 -38.2379 -63.1811 -38.2384 70.1176 GPRESSURE: 1347600 151.708 -289.336 39.8724 -158.157 161.991 -87.6061 -121.5 -1.33259 59.8524 PRESSAVG: 1347600 -72.3308 -2.07755 6.21164 -2.07757 34.8464 -1.07306 6.21166 -1.07304 7.09806 GPRESSAVG: 1347600 -71.6767 -2.31286 8.94437 -3.25565 34.4084 -0.230141 2.14201 -3.59472 6.92718 TIMING: 1347600 CPU: 4018.47, 0.00298915/step Wall: 4018.47, 0.00298915/step, 3.03266 hours remaining, 206.714844 MB of memory in use. ENERGY: 1347600 748.4275 2124.2201 1891.8267 121.1700 -206002.1380 17861.7605 0.0000 0.0000 34201.0072 -149053.7259 298.6859 -183254.7331 -148954.2960 299.4499 90.1124 124.5170 558086.8533 -10.1288 -10.1137 PRESSURE: 1347800 -47.069 14.5774 -98.5166 14.5784 -102.15 219.958 -98.5165 219.958 -107.677 GPRESSURE: 1347800 -8.05808 25.5963 -61.5451 47.4896 -44.4271 198.38 -92.6223 223.426 -114.079 PRESSAVG: 1347800 -43.0924 -124.059 -34.2558 -124.059 27.5901 -24.7499 -34.2558 -24.7498 -22.8136 GPRESSAVG: 1347800 -42.6994 -124.389 -35.7237 -123.176 28.5483 -26.0309 -31.1855 -22.8777 -24.0889 TIMING: 1347800 CPU: 4019.07, 0.00298746/step Wall: 4019.07, 0.00298746/step, 3.03078 hours remaining, 206.714844 MB of memory in use. ENERGY: 1347800 707.1982 2106.3064 1899.5316 121.0220 -206201.6229 17858.9731 0.0000 0.0000 34351.2741 -149157.3175 299.9982 -183508.5916 -149056.3583 299.9540 -85.6321 -55.5213 557789.0555 -12.7720 -12.7466 PRESSURE: 1348000 65.4221 -99.8861 85.4652 -99.8871 -96.0928 128.121 85.464 128.123 -41.1459 GPRESSURE: 1348000 96.339 -47.5245 153.493 -80.829 -43.2691 48.7027 73.3967 137.237 -34.1294 PRESSAVG: 1348000 1.61733 0.11365 17.5493 0.113625 28.7678 17.409 17.5493 17.409 -21.9285 GPRESSAVG: 1348000 0.981268 1.62672 17.2051 -0.798812 27.9346 19.2597 19.2725 16.731 -20.0433 TIMING: 1348000 CPU: 4019.67, 0.00298947/step Wall: 4019.67, 0.00298947/step, 3.03266 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1348000 766.5838 2013.3097 1918.4926 113.0222 -206357.2039 17860.9817 0.0000 0.0000 34383.1847 -149301.6291 300.2769 -183684.8138 -149199.5297 298.9902 -23.9388 6.3135 557728.6182 2.8189 2.9575 PRESSURE: 1348200 132.941 -82.6242 186.508 -82.6227 -34.4376 102.431 186.509 102.431 -175.573 GPRESSURE: 1348200 177.91 -32.297 119.768 -157.254 -22.7442 136.542 147.917 147.309 -140.641 PRESSAVG: 1348200 -40.4303 10.697 -14.7738 10.697 61.0266 71.0304 -14.7737 71.0303 -6.257 GPRESSAVG: 1348200 -40.0216 11.7005 -15.2201 11.9808 60.754 69.1435 -16.833 71.9367 -6.76942 TIMING: 1348200 CPU: 4020.27, 0.00299794/step Wall: 4020.27, 0.00299794/step, 3.04108 hours remaining, 206.714844 MB of memory in use. ENERGY: 1348200 728.8626 2058.4184 1935.6616 124.8398 -206185.8742 17695.3730 0.0000 0.0000 34363.3100 -149279.4089 300.1033 -183642.7189 -149188.2748 299.4523 -25.6897 4.8415 557509.2502 4.7798 4.6543 LDB: ============= START OF LOAD BALANCING ============== 4023.82 LDB: ============== END OF LOAD BALANCING =============== 4023.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4023.82 LDB: ============= START OF LOAD BALANCING ============== 4024.13 LDB: Largest compute 4774 load 0.026747 is 22.6% of average load 0.118168 LDB: Average compute 0.001721 is 1.5% of average load 0.118168 LDB: TIME 4024.13 LOAD: AVG 0.118168 MAX 0.213784 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.738 MB LDB: TIME 4024.13 LOAD: AVG 0.118168 MAX 0.213784 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.738 MB LDB: TIME 4024.13 LOAD: AVG 0.118168 MAX 0.213784 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.738 MB LDB: ============== END OF LOAD BALANCING =============== 4024.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4024.14 PRESSURE: 1348400 197.527 -76.0296 -75.6687 -76.0293 -216.591 38.3974 -75.6692 38.3965 37.2786 GPRESSURE: 1348400 224.1 -79.9094 -131.792 -16.5573 -148.443 -50.7125 -77.7428 75.2055 39.8947 PRESSAVG: 1348400 4.50092 -50.8616 -21.7047 -50.8617 56.7377 39.3349 -21.7048 39.3348 -47.5677 GPRESSAVG: 1348400 5.21345 -52.6924 -20.7483 -53.0416 56.6967 39.2868 -23.9317 39.731 -48.4506 TIMING: 1348400 CPU: 4020.89, 0.00309686/step Wall: 4020.89, 0.00309686/step, 3.14125 hours remaining, 208.253906 MB of memory in use. ENERGY: 1348400 736.5314 2065.3626 1927.3938 127.5203 -206604.0375 17987.2487 0.0000 0.0000 34243.9962 -149515.9845 299.0613 -183759.9807 -149421.4651 299.2701 6.0717 38.5172 556257.5493 4.5570 4.4865 PRESSURE: 1348600 73.2762 -20.4518 214.658 -20.4513 19.7141 -19.1993 214.658 -19.1994 -34.9643 GPRESSURE: 1348600 67.6393 -8.58618 308.589 8.55931 111.327 -75.8953 234.665 -44.7113 -14.844 PRESSAVG: 1348600 106.755 -63.5121 -29.307 -63.512 -0.747804 -11.8283 -29.307 -11.8285 -49.4902 GPRESSAVG: 1348600 106.787 -62.1435 -28.0911 -64.9403 -1.28087 -12.5042 -26.9132 -13.5282 -49.2909 TIMING: 1348600 CPU: 4021.5, 0.00303859/step Wall: 4021.5, 0.00303859/step, 3.08198 hours remaining, 208.253906 MB of memory in use. ENERGY: 1348600 720.9514 2088.3215 1916.6876 111.6880 -206459.0261 17915.7925 0.0000 0.0000 34285.2890 -149420.2961 299.4220 -183705.5851 -149336.8668 298.4037 19.3420 54.7073 556991.7386 18.8391 18.7383 PRESSURE: 1348800 346.92 115.887 42.1564 115.885 83.1183 -111.539 42.1558 -111.54 45.8127 GPRESSURE: 1348800 350.759 32.5053 130.076 123.035 155.547 -67.8063 26.8916 -26.2969 74.5499 PRESSAVG: 1348800 2.11097 -9.26387 28.0305 -9.26397 -21.7966 55.21 28.0305 55.2099 8.80476 GPRESSAVG: 1348800 1.48051 -10.4457 26.9663 -7.67381 -21.7718 56.761 27.7289 56.4908 9.34415 TIMING: 1348800 CPU: 4022.1, 0.00302193/step Wall: 4022.1, 0.00302193/step, 3.06491 hours remaining, 208.253906 MB of memory in use. ENERGY: 1348800 753.7842 2089.8744 1903.5604 104.5400 -206394.4761 18134.1059 0.0000 0.0000 34122.2089 -149286.4023 297.9977 -183408.6112 -149191.3675 298.3770 158.6171 193.6185 556083.7987 -3.6270 -3.6491 PRESSURE: 1349000 -85.4359 -31.1586 142.277 -31.1577 53.3886 -23.2375 142.276 -23.2385 -64.1594 GPRESSURE: 1349000 -66.214 -34.3292 160.59 -1.71996 73.5599 4.67207 150.876 14.6319 -5.86464 PRESSAVG: 1349000 -28.5023 39.1878 -33.5153 39.1877 3.0586 -10.6593 -33.5154 -10.6592 8.47349 GPRESSAVG: 1349000 -28.7524 40.9748 -33.3875 37.4078 2.45148 -8.85717 -35.7811 -11.8145 8.81021 TIMING: 1349000 CPU: 4022.71, 0.00302645/step Wall: 4022.71, 0.00302645/step, 3.06933 hours remaining, 208.253906 MB of memory in use. ENERGY: 1349000 742.8198 2054.1529 1918.6580 111.7413 -206330.3748 17815.9741 0.0000 0.0000 34312.7482 -149374.2806 299.6618 -183687.0288 -149264.9557 299.0283 -32.0689 0.4938 556935.3693 -5.6567 -5.8302 PRESSURE: 1349200 -183.694 -194.274 -23.0439 -194.274 -7.14517 -53.7174 -23.0436 -53.7164 178.396 GPRESSURE: 1349200 -136.408 -173.423 -4.59794 -232.744 11.7559 -74.5984 32.9892 -33.8877 196.673 PRESSAVG: 1349200 13.8936 -47.184 16.2967 -47.184 17.1113 32.1544 16.2966 32.1542 -11.8868 GPRESSAVG: 1349200 12.651 -46.5606 12.4966 -44.9966 17.5652 30.4005 19.2068 33.3704 -11.7643 TIMING: 1349200 CPU: 4023.31, 0.00301365/step Wall: 4023.31, 0.00301365/step, 3.05618 hours remaining, 208.253906 MB of memory in use. ENERGY: 1349200 704.9627 2160.7277 1898.9265 101.4275 -205991.6836 17610.9067 0.0000 0.0000 34397.8120 -149116.9204 300.4046 -183514.7323 -149022.4934 299.1230 -4.1478 24.0070 556810.4868 6.3727 6.1506 PRESSURE: 1349400 36.2513 -50.239 100.342 -50.2387 13.1902 161.858 100.341 161.858 -180.608 GPRESSURE: 1349400 103.784 29.2929 138.766 -63.3489 18.0686 200.334 55.3881 134.999 -167.152 PRESSAVG: 1349400 6.03768 -53.0158 22.8618 -53.0159 -14.2208 -5.57524 22.8618 -5.5752 -32.5885 GPRESSAVG: 1349400 8.17631 -53.8473 26.5264 -52.9111 -15.0383 -4.45057 21.3816 -6.07598 -34.2522 TIMING: 1349400 CPU: 4023.91, 0.00299346/step Wall: 4023.91, 0.00299346/step, 3.03553 hours remaining, 208.253906 MB of memory in use. ENERGY: 1349400 727.2342 2099.5789 1897.0583 120.4753 -205918.7155 17757.6494 0.0000 0.0000 34267.0101 -149049.7092 299.2623 -183316.7194 -148948.8287 299.3386 -43.7222 -15.0998 559884.3189 -13.5906 -13.7047 PRESSURE: 1349600 35.1087 99.8755 -157.437 99.8761 201.938 10.4994 -157.437 10.5005 193.555 GPRESSURE: 1349600 97.0165 156.594 -211 67.5632 212.632 127.589 -205.853 56.0803 218.507 PRESSAVG: 1349600 30.4497 8.60241 71.9526 8.60247 -27.3022 26.3146 71.9526 26.3147 -9.34225 GPRESSAVG: 1349600 30.0049 6.56889 70.5013 8.45946 -26.1704 26.96 73.3886 25.8279 -9.96546 TIMING: 1349600 CPU: 4024.51, 0.00299365/step Wall: 4024.51, 0.00299365/step, 3.03556 hours remaining, 208.253906 MB of memory in use. ENERGY: 1349600 746.9456 2043.0417 1943.7983 104.9761 -206165.2736 18023.3794 0.0000 0.0000 34255.6709 -149047.4617 299.1633 -183303.1326 -148951.7059 299.7699 143.5338 176.0520 557323.8305 -2.0649 -2.0437 PRESSURE: 1349800 -16.9673 108.272 121.149 108.272 -116.897 -119.028 121.15 -119.027 -16.0914 GPRESSURE: 1349800 -42.2408 14.563 105.555 194.867 -7.49245 -97.3196 105.059 -139.247 -6.95721 PRESSAVG: 1349800 10.555 -1.03688 -64.1685 -1.03687 -5.77068 -30.6654 -64.1685 -30.6653 19.396 GPRESSAVG: 1349800 10.2325 -2.27751 -63.052 0.415049 -5.47957 -34.1201 -64.7297 -28.6033 19.299 TIMING: 1349800 CPU: 4025.1, 0.00299243/step Wall: 4025.1, 0.00299243/step, 3.03415 hours remaining, 208.253906 MB of memory in use. ENERGY: 1349800 766.2768 2050.1620 1962.3757 102.5631 -206190.0950 17879.9770 0.0000 0.0000 34427.9001 -149000.8403 300.6674 -183428.7404 -148909.2561 300.0175 -49.9852 -18.8968 557206.4068 8.0601 8.0173 PRESSURE: 1350000 121.156 -214.038 -184.309 -214.038 -64.2073 -180.383 -184.31 -180.383 192.319 GPRESSURE: 1350000 138.937 -194.151 -126.951 -201.967 -35.0928 -279.518 -154.126 -165.675 234.878 PRESSAVG: 1350000 -13.0461 20.6953 -7.87335 20.6954 -47.7828 -48.1545 -7.87338 -48.1545 29.2652 GPRESSAVG: 1350000 -13.2757 22.9887 -6.93064 20.9359 -48.33 -46.3839 -8.87252 -50.7618 30.3886 TIMING: 1350000 CPU: 4025.7, 0.00299212/step Wall: 4025.7, 0.00299212/step, 3.03368 hours remaining, 208.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1350000 738.2139 2110.9150 1923.8955 122.4701 -205886.2948 17811.1762 0.0000 0.0000 34345.4854 -148834.1387 299.9477 -183179.6241 -148736.8573 300.0615 83.0891 112.9077 557707.8032 -10.5213 -10.4057 PRESSURE: 1350200 -56.1151 -142.835 87.0643 -142.834 -110.393 -8.03485 87.0642 -8.03463 13.7468 GPRESSURE: 1350200 -73.5769 -134.562 137.976 -71.8075 -112.526 -104.828 81.6946 -45.4851 131.786 PRESSAVG: 1350200 14.2377 -68.386 -25.8871 -68.386 -12.0806 -23.4248 -25.8871 -23.4248 -11.6403 GPRESSAVG: 1350200 14.4956 -68.1371 -26.7745 -68.5129 -12.0653 -25.3314 -25.1689 -21.4395 -11.3856 TIMING: 1350200 CPU: 4026.3, 0.00298429/step Wall: 4026.3, 0.00298429/step, 3.02558 hours remaining, 208.253906 MB of memory in use. ENERGY: 1350200 733.6413 2144.7931 1914.7310 119.0081 -206053.9835 17816.6694 0.0000 0.0000 34601.8597 -148723.2809 302.1866 -183325.1406 -148625.0600 300.4866 -50.9205 -18.1054 559846.3293 -3.1611 -2.9851 PRESSURE: 1350400 -64.9632 84.8083 -163.956 84.8087 -110.555 -80.8225 -163.957 -80.8241 -150.342 GPRESSURE: 1350400 -63.6845 79.817 -112.778 31.2681 -44.7637 -27.9441 -149.292 -150.785 -118.336 PRESSAVG: 1350400 -1.12027 -0.853489 -7.24557 -0.85353 -14.191 35.5877 -7.24556 35.5877 -2.47012 GPRESSAVG: 1350400 -1.64957 -1.90581 -8.56095 -1.17581 -13.9136 36.5416 -6.11197 35.3058 -1.73847 TIMING: 1350400 CPU: 4026.9, 0.00299378/step Wall: 4026.9, 0.00299378/step, 3.03503 hours remaining, 208.253906 MB of memory in use. ENERGY: 1350400 733.1115 2086.2241 1936.6451 104.9110 -205996.4594 17775.4189 0.0000 0.0000 34506.6225 -148853.5262 301.3549 -183360.1487 -148761.2908 300.6251 -108.6203 -75.5947 560033.4152 -5.9271 -5.7672 PRESSURE: 1350600 -121.035 -24.0755 -114.704 -24.0763 -132.606 5.0328 -114.704 5.03293 -203.562 GPRESSURE: 1350600 -141.884 -54.1055 -203.316 -35.1644 -47.1223 81.0956 -176.601 12.4832 -174.332 PRESSAVG: 1350600 24.6757 -30.6141 -5.15994 -30.614 -37.401 23.5324 -5.15998 23.5325 -34.1789 GPRESSAVG: 1350600 26.0638 -30.1402 -5.68874 -31.6674 -37.1413 25.1125 -6.18243 22.5092 -35.8436 TIMING: 1350600 CPU: 4027.5, 0.00301186/step Wall: 4027.5, 0.00301186/step, 3.05319 hours remaining, 208.253906 MB of memory in use. ENERGY: 1350600 750.1809 2097.3225 1942.7068 118.2326 -205797.4455 17642.0649 0.0000 0.0000 34379.8518 -148867.0860 300.2478 -183246.9378 -148774.3536 300.2025 -152.4010 -121.1127 559716.1361 -15.6347 -15.6404 PRESSURE: 1350800 12.93 -42.1889 -22.6467 -42.1888 -189.518 173.997 -22.6471 173.997 -101.729 GPRESSURE: 1350800 -1.0261 -41.4419 -8.49891 100.107 -134.37 118.69 -26.0994 169.963 -53.8855 PRESSAVG: 1350800 37.7865 2.63479 -17.0463 2.63478 -18.0565 0.276557 -17.0463 0.276535 -24.7599 GPRESSAVG: 1350800 35.9883 2.26609 -15.2149 3.10645 -18.439 -0.627078 -17.7662 0.671684 -23.0485 TIMING: 1350800 CPU: 4028.1, 0.00301273/step Wall: 4028.1, 0.00301273/step, 3.0539 hours remaining, 208.253906 MB of memory in use. ENERGY: 1350800 794.3095 2116.5386 1946.9603 100.8751 -205967.2485 17812.8530 0.0000 0.0000 34286.5738 -148909.1383 299.4332 -183195.7120 -148810.1815 300.2185 -92.7723 -63.0939 557706.5670 -1.6766 -1.8331 PRESSURE: 1351000 -131.472 101.883 72.0415 101.882 263.46 142.408 72.0409 142.408 132.721 GPRESSURE: 1351000 -160.993 125.198 163.221 74.7354 303.312 140.217 32.3766 136.534 204.073 PRESSAVG: 1351000 -47.8283 20.5425 48.6028 20.5424 -31.5693 61.8316 48.6028 61.8317 105.189 GPRESSAVG: 1351000 -46.5638 21.8458 47.6503 20.1992 -32.3044 62.1315 49.8162 60.6744 104.761 TIMING: 1351000 CPU: 4028.7, 0.00299713/step Wall: 4028.7, 0.00299713/step, 3.03792 hours remaining, 208.253906 MB of memory in use. ENERGY: 1351000 749.4230 2149.6230 1940.6538 113.9570 -206083.7030 17950.4330 0.0000 0.0000 34374.7985 -148804.8146 300.2037 -183179.6131 -148706.8279 299.9063 88.2362 115.4640 557649.7315 8.5971 8.6311 PRESSURE: 1351200 -103.316 -45.1449 -109.088 -45.1449 -67.6516 -99.848 -109.088 -99.848 20.1357 GPRESSURE: 1351200 -80.0913 -180.506 -234.769 -8.42096 -23.4267 -68.9919 -52.7198 -61.363 40.027 PRESSAVG: 1351200 -2.98113 -30.8781 19.1372 -30.878 -50.4725 11.7161 19.1373 11.7162 20.8042 GPRESSAVG: 1351200 -3.13836 -34.1295 19.9785 -27.949 -49.6761 11.0469 18.4216 10.9778 20.6153 TIMING: 1351200 CPU: 4029.31, 0.0030104/step Wall: 4029.31, 0.0030104/step, 3.05121 hours remaining, 208.253906 MB of memory in use. ENERGY: 1351200 747.6415 2109.7058 1946.8835 109.2182 -206005.3785 17818.0867 0.0000 0.0000 34416.9667 -148856.8761 300.5719 -183273.8428 -148766.4692 300.4023 -50.2773 -21.1637 558461.0640 -10.8832 -10.7330 PRESSURE: 1351400 -200.831 87.7638 -60.1372 87.7644 -111.162 51.0737 -60.1367 51.0735 17.3732 GPRESSURE: 1351400 -131.299 93.3019 -15.1791 37.6029 -165.743 -7.86497 -114.631 74.6372 91.4863 PRESSAVG: 1351400 1.81126 5.83129 -26.6 5.83137 -32.4646 -4.17099 -26.6 -4.17102 44.0143 GPRESSAVG: 1351400 3.29381 6.84566 -26.1789 4.19704 -33.327 -5.00129 -27.4622 -2.16854 42.9597 TIMING: 1351400 CPU: 4029.91, 0.00301949/step Wall: 4029.91, 0.00301949/step, 3.06025 hours remaining, 208.253906 MB of memory in use. ENERGY: 1351400 759.3000 2166.2931 1957.5973 114.2851 -206118.6175 17707.2536 0.0000 0.0000 34513.2064 -148900.6820 301.4124 -183413.8884 -148800.9195 301.1402 -98.2066 -68.5183 557278.8186 4.4537 4.3088 PRESSURE: 1351600 -43.8799 -11.2627 -33.6518 -11.2614 1.28723 -178.83 -33.6525 -178.828 -148.517 GPRESSURE: 1351600 -45.3298 -5.85396 9.45712 41.884 31.2159 -106.085 -65.2733 -186.585 -80.8516 PRESSAVG: 1351600 27.6288 16.2401 12.8455 16.2401 -4.9397 33.3871 12.8456 33.3871 -15.6308 GPRESSAVG: 1351600 26.9145 17.6946 11.822 16.7772 -4.33464 34.9771 15.3252 32.6261 -15.5005 TIMING: 1351600 CPU: 4030.51, 0.00302169/step Wall: 4030.51, 0.00302169/step, 3.06232 hours remaining, 208.253906 MB of memory in use. ENERGY: 1351600 777.7663 2163.5015 1948.6077 114.9276 -205683.3652 17635.5286 0.0000 0.0000 34184.0103 -148859.0232 298.5375 -183043.0336 -148758.2000 300.0509 -63.7034 -31.6552 556194.4608 2.3528 2.3598 PRESSURE: 1351800 17.0436 -106.071 -43.2238 -106.072 36.2177 44.3965 -43.2241 44.3983 -205.231 GPRESSURE: 1351800 34.1661 -44.1997 -58.2583 -146.753 66.0278 79.8461 -70.9236 -50.1268 -163.59 PRESSAVG: 1351800 35.6663 49.0373 -15.6843 49.0373 19.8596 14.9438 -15.6843 14.9437 -16.0327 GPRESSAVG: 1351800 33.8553 47.2312 -14.7419 49.6745 21.2845 13.0441 -17.7928 15.105 -15.6977 TIMING: 1351800 CPU: 4031.11, 0.002995/step Wall: 4031.11, 0.002995/step, 3.0351 hours remaining, 208.253906 MB of memory in use. ENERGY: 1351800 740.0318 2125.9340 1909.9947 105.3970 -205390.4361 17456.6425 0.0000 0.0000 34194.0702 -148858.3658 298.6253 -183052.4360 -148758.4795 299.9234 -50.6565 -21.1319 556792.6581 13.1644 13.1473 PRESSURE: 1352000 129.564 -80.5299 14.1588 -80.5296 120.573 -34.9934 14.1603 -34.9948 141.317 GPRESSURE: 1352000 190.791 -45.8377 45.0435 -99.8522 122.247 -12.4787 71.5304 -57.9023 174.137 PRESSAVG: 1352000 -66.4477 -86.794 -56.0239 -86.7939 45.924 11.9478 -56.0238 11.9477 -6.08901 GPRESSAVG: 1352000 -64.619 -85.9861 -57.0516 -87.2417 44.9019 14.6557 -53.4694 13.6479 -6.02664 TIMING: 1352000 CPU: 4031.71, 0.00299263/step Wall: 4031.71, 0.00299263/step, 3.03254 hours remaining, 208.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1352000 759.9170 2134.4142 1939.7220 118.6806 -205959.7822 17928.5305 0.0000 0.0000 34317.6032 -148760.9146 299.7042 -183078.5178 -148664.1164 300.5278 130.4844 162.3914 556818.1388 -8.8709 -8.5813 PRESSURE: 1352200 -196.95 -200.438 -13.5153 -200.437 79.9221 127.182 -13.5145 127.182 -377.148 GPRESSURE: 1352200 -201.633 -188.148 -44.059 -205.716 130.009 151.226 30.3725 113.306 -328.146 PRESSAVG: 1352200 -8.24212 -49.9612 -18.008 -49.9612 21.9208 -1.52086 -18.008 -1.52085 -13.3272 GPRESSAVG: 1352200 -8.27317 -49.115 -17.3766 -50.2313 21.573 -1.53409 -19.0903 -2.81414 -13.0324 TIMING: 1352200 CPU: 4032.31, 0.00300248/step Wall: 4032.31, 0.00300248/step, 3.04235 hours remaining, 208.253906 MB of memory in use. ENERGY: 1352200 753.6460 2079.4141 1935.0698 99.0554 -205456.7452 17420.4208 0.0000 0.0000 34353.5682 -148815.5710 300.0183 -183169.1392 -148721.1846 300.6462 -164.7253 -133.2566 557685.7154 0.1172 0.0892 LDB: ============= START OF LOAD BALANCING ============== 4035.86 LDB: ============== END OF LOAD BALANCING =============== 4035.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4035.86 LDB: ============= START OF LOAD BALANCING ============== 4036.16 LDB: Largest compute 4773 load 0.025371 is 21.5% of average load 0.118139 LDB: Average compute 0.001722 is 1.5% of average load 0.118139 LDB: TIME 4036.16 LOAD: AVG 0.118139 MAX 0.21203 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 4036.16 LOAD: AVG 0.118139 MAX 0.21203 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.516 MB LDB: TIME 4036.16 LOAD: AVG 0.118139 MAX 0.21203 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.516 MB LDB: ============== END OF LOAD BALANCING =============== 4036.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4036.17 PRESSURE: 1352400 132.216 0.881365 159.136 0.881336 -272.955 122.431 159.137 122.433 5.90536 GPRESSURE: 1352400 101.648 0.720798 69.34 -8.3594 -201.22 206.424 186.167 113.696 64.9668 PRESSAVG: 1352400 25.3994 -15.8265 -4.7816 -15.8264 -16.8236 12.3871 -4.78155 12.387 -12.922 GPRESSAVG: 1352400 24.3053 -14.4728 -3.72104 -17.307 -15.8644 10.4223 -5.96737 12.4932 -12.9426 TIMING: 1352400 CPU: 4032.92, 0.00303327/step Wall: 4032.92, 0.00303327/step, 3.07338 hours remaining, 207.027344 MB of memory in use. ENERGY: 1352400 763.9971 2072.3150 1919.7172 104.3166 -205698.6470 17650.0499 0.0000 0.0000 34301.4366 -148886.8146 299.5630 -183188.2512 -148788.8183 300.3744 -44.9446 -11.5351 557890.7073 -1.4487 -1.5006 PRESSURE: 1352600 25.3102 -295.139 39 -295.138 -51.1877 113.519 39.0005 113.52 141.228 GPRESSURE: 1352600 117.416 -246.544 -10.1322 -329.733 -53.4146 132.833 129.14 56.537 143.298 PRESSAVG: 1352600 58.8383 6.48014 12.108 6.48016 -67.2505 18.1161 12.1079 18.1161 -2.82846 GPRESSAVG: 1352600 59.9613 2.84979 8.90143 8.66001 -69.0274 21.0276 13.4488 16.6255 -2.0443 TIMING: 1352600 CPU: 4033.51, 0.00297161/step Wall: 4033.51, 0.00297161/step, 3.01073 hours remaining, 207.027344 MB of memory in use. ENERGY: 1352600 743.3472 2123.0255 1930.2337 90.8719 -205794.0489 17666.6703 0.0000 0.0000 34422.7889 -148817.1113 300.6228 -183239.9002 -148716.9963 300.1503 38.4501 69.1000 557617.5369 -3.7469 -3.7035 PRESSURE: 1352800 90.7974 19.7841 -32.8055 19.7836 65.6476 -86.6628 -32.8058 -86.6617 185.568 GPRESSURE: 1352800 152.885 -16.7933 -39.6027 -42.9379 91.1855 -30.1817 -30.5468 -88.7279 188.251 PRESSAVG: 1352800 14.2753 15.7125 33.1989 15.7125 -11.6459 26.1701 33.1989 26.1701 26.4866 GPRESSAVG: 1352800 14.7207 18.268 36.0413 15.4133 -10.1949 24.768 30.532 27.9431 24.6969 TIMING: 1352800 CPU: 4034.1, 0.00295427/step Wall: 4034.1, 0.00295427/step, 2.99301 hours remaining, 207.027344 MB of memory in use. ENERGY: 1352800 742.6080 2088.2808 1954.6917 134.4716 -206448.2570 18191.6797 0.0000 0.0000 34468.5888 -148867.9364 301.0228 -183336.5252 -148765.9813 301.3998 114.0043 144.1070 556538.0250 9.7053 9.7409 PRESSURE: 1353000 -243.533 49.6985 20.8929 49.7001 -128.25 208.099 20.8941 208.099 -209.877 GPRESSURE: 1353000 -211.542 57.655 117.626 22.1121 -44.4342 206.008 -128.686 159.367 -229.656 PRESSAVG: 1353000 19.9987 -11.4587 27.292 -11.4587 23.1323 -23.546 27.292 -23.546 -21.6494 GPRESSAVG: 1353000 19.331 -12.5408 27.1948 -9.85488 22.089 -24.2626 27.575 -25.8186 -19.9445 TIMING: 1353000 CPU: 4034.7, 0.00298569/step Wall: 4034.7, 0.00298569/step, 3.02467 hours remaining, 207.152344 MB of memory in use. ENERGY: 1353000 764.0710 2087.2209 1925.3812 120.2054 -205771.6077 17522.8422 0.0000 0.0000 34424.5019 -148927.3852 300.6377 -183351.8871 -148827.4051 300.1642 -193.8869 -161.8774 557998.0859 7.1605 7.1585 PRESSURE: 1353200 -349.773 -156.257 78.2012 -156.258 -28.9577 -7.83121 78.2016 -7.83207 67.7961 GPRESSURE: 1353200 -302.645 -105.23 68.1337 -184.867 42.6782 72.769 101.935 -42.9847 23.7837 PRESSAVG: 1353200 47.092 -30.2734 -1.11536 -30.2734 4.40566 27.9507 -1.11536 27.9508 -31.2191 GPRESSAVG: 1353200 47.8566 -29.3828 -1.02582 -31.9705 4.48394 27.9769 -0.0543966 29.6664 -31.923 TIMING: 1353200 CPU: 4035.31, 0.00302763/step Wall: 4035.31, 0.00302763/step, 3.06699 hours remaining, 207.152344 MB of memory in use. ENERGY: 1353200 785.2778 2091.5228 1941.9194 118.1737 -205839.6909 17587.8928 0.0000 0.0000 34340.7796 -148974.1247 299.9066 -183314.9043 -148874.3760 300.3693 -103.6450 -78.7276 557301.6478 6.7595 6.8058 PRESSURE: 1353400 130.998 38.0498 -116.156 38.0488 -89.8297 4.73788 -116.155 4.73769 -61.4221 GPRESSURE: 1353400 106.571 25.2756 -19.8341 76.2523 -37.348 -2.68214 -177.43 2.56003 7.54383 PRESSAVG: 1353400 -80.7362 9.74456 -17.6545 9.74464 37.4389 39.4406 -17.6543 39.4406 68.1798 GPRESSAVG: 1353400 -81.7454 9.3463 -18.7429 10.9996 37.593 38.2132 -16.32 40.2605 68.7291 TIMING: 1353400 CPU: 4035.91, 0.0030167/step Wall: 4035.91, 0.0030167/step, 3.05574 hours remaining, 207.152344 MB of memory in use. ENERGY: 1353400 696.5436 2051.1719 1953.0833 125.0910 -205819.2281 17592.6459 0.0000 0.0000 34437.2311 -148963.4612 300.7489 -183400.6923 -148874.0985 300.5934 -6.7513 25.5890 557502.5677 8.2942 8.1922 PRESSURE: 1353600 -102.381 -15.1682 -32.7744 -15.1674 -327.468 8.38631 -32.7738 8.38569 19.3511 GPRESSURE: 1353600 -101.861 33.381 -65.7347 -33.7227 -254.655 -36.4744 20.8467 97.4365 36.1356 PRESSAVG: 1353600 25.4804 25.8696 -9.8757 25.8696 1.39232 19.5768 -9.87572 19.5768 -63.4304 GPRESSAVG: 1353600 25.4754 24.8527 -9.25061 25.1205 1.75783 20.4603 -9.89539 19.8776 -63.815 TIMING: 1353600 CPU: 4036.51, 0.00300599/step Wall: 4036.51, 0.00300599/step, 3.04473 hours remaining, 207.152344 MB of memory in use. ENERGY: 1353600 707.1090 2179.0513 1915.5822 120.0074 -205373.7643 17362.2479 0.0000 0.0000 34323.0679 -148766.6985 299.7519 -183089.7664 -148674.6376 300.3703 -136.8326 -106.7937 558056.6512 -12.1859 -12.1939 PRESSURE: 1353800 -204.316 -92.3746 106.259 -92.3757 -158.646 23.2155 106.26 23.216 -9.11391 GPRESSURE: 1353800 -104.445 -141.509 89.3941 -48.4598 -133.144 -83.2879 53.726 154.546 -32.299 PRESSAVG: 1353800 -32.4446 -61.7422 13.3217 -61.7423 -44.0861 22.7704 13.3217 22.7703 71.3815 GPRESSAVG: 1353800 -32.2805 -60.0418 13.0726 -60.4999 -45.3024 22.4425 12.246 21.4208 71.977 TIMING: 1353800 CPU: 4037.12, 0.0030265/step Wall: 4037.12, 0.0030265/step, 3.06534 hours remaining, 207.152344 MB of memory in use. ENERGY: 1353800 776.3457 2055.1861 1950.2187 130.2857 -205793.2132 17726.7102 0.0000 0.0000 34229.1126 -148925.3541 298.9314 -183154.4667 -148826.7102 300.4996 -124.0256 -89.9625 558533.7160 -1.7164 -1.8686 PRESSURE: 1354000 -70.2726 -234.707 -38.1452 -234.708 120.977 11.8032 -38.1454 11.804 -75.8563 GPRESSURE: 1354000 -29.4466 -216.145 -176.28 -199.183 108.863 23.1464 32.7502 -49.6024 -33.5947 PRESSAVG: 1354000 76.5235 -17.4834 -32.387 -17.4835 -62.3065 4.163 -32.3869 4.16294 5.72609 GPRESSAVG: 1354000 77.4138 -17.2683 -31.7885 -19.8602 -62.0348 3.49341 -31.7311 3.19527 5.13507 TIMING: 1354000 CPU: 4037.72, 0.00301817/step Wall: 4037.72, 0.00301817/step, 3.05673 hours remaining, 207.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1354000 740.0681 2139.4118 1916.3715 116.5146 -205873.5297 17677.5934 0.0000 0.0000 34293.2479 -148990.3224 299.4915 -183283.5703 -148895.5454 300.1098 -8.3841 15.2740 557515.7690 6.6477 6.8380 PRESSURE: 1354200 32.962 121.885 -76.155 121.885 -301.973 94.6582 -76.1561 94.6597 22.7031 GPRESSURE: 1354200 26.1375 45.288 -53.7306 147.991 -242.948 73.1792 -54.6251 109.45 72.1882 PRESSAVG: 1354200 34.679 -36.7357 -4.34443 -36.7357 -35.1319 -59.2479 -4.34435 -59.2479 -27.6642 GPRESSAVG: 1354200 32.7988 -36.3336 -4.76644 -35.351 -33.3923 -56.984 -6.11779 -60.9026 -27.0728 TIMING: 1354200 CPU: 4038.32, 0.00300706/step Wall: 4038.32, 0.00300706/step, 3.04532 hours remaining, 207.152344 MB of memory in use. ENERGY: 1354200 731.7629 2161.4149 1921.1229 121.0550 -205763.3272 17474.3546 0.0000 0.0000 34375.0594 -148978.5574 300.2059 -183353.6167 -148878.4604 300.2468 -82.1026 -48.2076 557000.7586 -9.3724 -9.2221 PRESSURE: 1354400 -7.73852 55.077 27.6448 55.0772 -318.649 10.6107 27.6451 10.6126 -126.215 GPRESSURE: 1354400 -32.1689 92.348 -27.9821 -8.4632 -250.593 55.7267 88.2239 21.161 -82.3205 PRESSAVG: 1354400 50.2384 -14.4323 45.5946 -14.4322 -31.6591 -3.64088 45.5946 -3.64086 -1.35801 GPRESSAVG: 1354400 49.8507 -18.5274 44.9545 -13.8912 -32.2853 -5.62104 47.3667 -2.07047 0.187349 TIMING: 1354400 CPU: 4038.92, 0.00301654/step Wall: 4038.92, 0.00301654/step, 3.05475 hours remaining, 207.152344 MB of memory in use. ENERGY: 1354400 769.5331 2074.6856 1925.7482 112.6114 -205789.2601 17599.8481 0.0000 0.0000 34411.9019 -148894.9319 300.5277 -183306.8338 -148793.4691 300.0286 -150.8676 -121.6942 558971.7465 5.7404 5.9176 PRESSURE: 1354600 -196.476 109.432 69.5385 109.432 -106.415 -156.605 69.5377 -156.606 -243.785 GPRESSURE: 1354600 -137.861 171.624 40.6402 31.4764 -131.127 -222.153 8.1988 -85.2721 -172.171 PRESSAVG: 1354600 64.5221 -55.497 40.5456 -55.4971 -47.1088 -57.9992 40.5457 -57.9992 21.0694 GPRESSAVG: 1354600 65.5636 -53.6373 40.6987 -54.9056 -48.6574 -58.0955 41.1529 -56.9628 21.3143 TIMING: 1354600 CPU: 4039.52, 0.00298989/step Wall: 4039.52, 0.00298989/step, 3.0276 hours remaining, 207.152344 MB of memory in use. ENERGY: 1354600 776.0304 2091.7608 1907.6156 101.6434 -205586.5653 17450.3617 0.0000 0.0000 34533.2148 -148725.9386 301.5872 -183259.1534 -148628.9786 300.5956 -182.2253 -147.0530 558552.5111 12.8275 12.7402 PRESSURE: 1354800 3.77312 -156.456 107.401 -156.456 -52.5771 73.5132 107.401 73.513 140.292 GPRESSURE: 1354800 74.1566 -168.753 87.2841 -68.5409 -39.6016 89.907 59.3625 82.9238 154.759 PRESSAVG: 1354800 8.74975 26.7114 51.6481 26.7114 -46.1827 -24.5688 51.648 -24.5687 -3.97863 GPRESSAVG: 1354800 7.92563 28.2673 52.1642 25.8907 -45.3647 -23.1761 52.445 -27.0817 -4.45963 TIMING: 1354800 CPU: 4040.12, 0.00297221/step Wall: 4040.12, 0.00297221/step, 3.00953 hours remaining, 207.152344 MB of memory in use. ENERGY: 1354800 718.7146 2099.8928 1923.1700 107.1111 -206130.6284 17904.6082 0.0000 0.0000 34469.4176 -148907.7141 301.0300 -183377.1317 -148811.5076 300.8776 30.4961 63.1047 559637.2662 -13.8039 -13.9662 PRESSURE: 1355000 -12.2804 -16.9528 78.2555 -16.9532 -132.189 138.281 78.2553 138.279 58.0286 GPRESSURE: 1355000 -79.8696 -38.4806 14.8374 30.0889 -0.848051 246.354 89.0104 109.549 92.8278 PRESSAVG: 1355000 9.76672 16.6215 60.6323 16.6214 -81.1976 20.4853 60.6323 20.4852 27.8035 GPRESSAVG: 1355000 9.12699 16.1452 58.6191 15.3602 -79.4961 21.0322 59.7706 19.6346 26.5586 TIMING: 1355000 CPU: 4040.71, 0.00296491/step Wall: 4040.71, 0.00296491/step, 3.00197 hours remaining, 207.152344 MB of memory in use. ENERGY: 1355000 783.5155 2106.5291 1961.0011 114.7066 -206056.0303 17970.1726 0.0000 0.0000 34272.0942 -148848.0111 299.3067 -183120.1053 -148751.8250 300.5344 -28.8134 4.0367 560031.2230 -14.5425 -14.6035 PRESSURE: 1355200 -84.9873 210.551 16.2517 210.552 -167.432 1.15143 16.2509 1.15019 50.5831 GPRESSURE: 1355200 -119.432 112.621 -15.6897 277.748 -50.761 42.2705 -12.8698 75.3593 63.786 PRESSAVG: 1355200 17.4818 -26.7135 41.0354 -26.7135 -6.83418 32.5316 41.0355 32.5314 52.7659 GPRESSAVG: 1355200 17.5852 -27.891 43.0555 -25.7931 -7.48064 30.5386 40.4405 35.9853 53.5073 TIMING: 1355200 CPU: 4041.31, 0.00300105/step Wall: 4041.31, 0.00300105/step, 3.0384 hours remaining, 207.152344 MB of memory in use. ENERGY: 1355200 735.1099 2123.3763 1934.5677 121.2797 -205600.6318 17687.0555 0.0000 0.0000 34368.8222 -148630.4205 300.1515 -182999.2426 -148533.2682 301.0103 -67.2788 -35.4690 560015.8444 21.1379 21.2040 PRESSURE: 1355400 -12.9541 59.3235 -109.455 59.3237 -148.67 -31.9019 -109.453 -31.901 249.714 GPRESSURE: 1355400 -42.3191 -0.106904 -13.8815 92.849 -72.2312 -44.9333 -69.1939 -19.4889 274.429 PRESSAVG: 1355400 -31.8621 -18.0204 -2.47903 -18.0204 20.4024 27.4701 -2.47914 27.4702 60.0523 GPRESSAVG: 1355400 -32.6245 -15.7564 -4.48736 -19.6947 19.8455 28.3787 -0.524888 27.0782 60.8265 TIMING: 1355400 CPU: 4041.91, 0.00298453/step Wall: 4041.91, 0.00298453/step, 3.0215 hours remaining, 207.152344 MB of memory in use. ENERGY: 1355400 736.5539 2070.5676 1957.9818 112.5752 -205921.3898 17824.1820 0.0000 0.0000 34480.2108 -148739.3185 301.1243 -183219.5293 -148643.0546 301.0651 29.3631 53.2929 559414.9253 16.1975 16.0159 PRESSURE: 1355600 -81.5815 18.6808 197.401 18.6813 -121.826 -139.755 197.401 -139.753 -60.3011 GPRESSURE: 1355600 -54.1425 -9.58668 146.022 67.25 -46.5464 -184.156 294.063 -174.016 -63.8851 PRESSAVG: 1355600 9.05157 3.68833 56.5527 3.6884 -51.6516 -39.8551 56.5528 -39.8552 75.3894 GPRESSAVG: 1355600 10.1525 2.74483 56.7715 4.75747 -50.886 -39.6004 55.9928 -41.1922 73.2212 TIMING: 1355600 CPU: 4042.51, 0.00301518/step Wall: 4042.51, 0.00301518/step, 3.05236 hours remaining, 207.152344 MB of memory in use. ENERGY: 1355600 760.0520 2108.3814 1939.4338 109.8872 -205655.3883 17639.0947 0.0000 0.0000 34393.9122 -148704.6269 300.3706 -183098.5391 -148598.8048 300.9396 -87.9027 -54.8580 557964.7961 10.9298 10.8293 PRESSURE: 1355800 -123.028 8.98548 70.6418 8.98569 153.148 76.8661 70.6419 76.8655 12.0685 GPRESSURE: 1355800 -62.9278 -18.2898 10.6896 73.4469 211.848 21.5521 117.418 35.6857 -16.2708 PRESSAVG: 1355800 63.2467 5.62491 89.2839 5.62487 -11.3547 -32.8365 89.2839 -32.8365 -55.6166 GPRESSAVG: 1355800 62.8675 4.73407 91.6499 6.41294 -11.8231 -32.7093 89.0192 -33.0128 -54.3514 TIMING: 1355800 CPU: 4043.11, 0.00299735/step Wall: 4043.11, 0.00299735/step, 3.03415 hours remaining, 207.152344 MB of memory in use. ENERGY: 1355800 745.6206 2094.9188 1927.0004 109.7170 -205885.6744 17715.0072 0.0000 0.0000 34456.4859 -148836.9245 300.9171 -183293.4105 -148737.4033 300.3266 14.0627 44.2166 558319.0840 -1.2415 -1.1024 PRESSURE: 1356000 175.184 88.4353 -5.51936 88.4347 221.494 -196.722 -5.51963 -196.723 -253.044 GPRESSURE: 1356000 132.757 113.238 -45.7801 83.5112 290.173 -302.114 -0.456968 -140.79 -168.637 PRESSAVG: 1356000 -0.302444 22.5163 7.84544 22.5163 67.0929 -59.0338 7.84546 -59.0338 -40.4539 GPRESSAVG: 1356000 0.347159 23.2827 7.06027 22.0446 65.9214 -60.6133 8.96591 -58.2216 -39.8441 TIMING: 1356000 CPU: 4043.71, 0.0030181/step Wall: 4043.71, 0.0030181/step, 3.05499 hours remaining, 207.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1356000 778.6474 2102.2491 1908.9355 109.3407 -205879.3966 17862.7040 0.0000 0.0000 34301.6298 -148815.8901 299.5647 -183117.5199 -148715.7135 299.9249 47.8781 84.7645 558459.8261 8.7789 8.8082 PRESSURE: 1356200 -59.6885 -15.0418 -115.838 -15.0416 214.006 189.385 -115.838 189.386 15.8774 GPRESSURE: 1356200 12.3586 19.8597 -36.4898 -97.3392 212.396 203.37 -147.456 115.726 43.1394 PRESSAVG: 1356200 80.8732 -20.9748 -53.3795 -20.9748 -47.7244 2.59259 -53.3795 2.59264 -63.9867 GPRESSAVG: 1356200 80.3089 -19.6356 -52.5142 -22.8802 -46.4291 2.70793 -53.8499 2.92487 -64.6771 TIMING: 1356200 CPU: 4044.31, 0.0030046/step Wall: 4044.31, 0.00300459/step, 3.04115 hours remaining, 207.152344 MB of memory in use. ENERGY: 1356200 754.2547 2142.3819 1915.3247 110.2585 -206009.1843 17789.7779 0.0000 0.0000 34484.8824 -148812.3041 301.1651 -183297.1866 -148713.5630 300.4769 56.7315 89.2979 558555.0086 -10.2793 -10.2658 LDB: ============= START OF LOAD BALANCING ============== 4047.86 LDB: ============== END OF LOAD BALANCING =============== 4047.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4047.87 LDB: ============= START OF LOAD BALANCING ============== 4048.17 LDB: Largest compute 4796 load 0.024041 is 20.4% of average load 0.118096 LDB: Average compute 0.001721 is 1.5% of average load 0.118096 LDB: TIME 4048.17 LOAD: AVG 0.118096 MAX 0.211853 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.027 MB LDB: TIME 4048.17 LOAD: AVG 0.118096 MAX 0.211853 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: TIME 4048.17 LOAD: AVG 0.118096 MAX 0.211853 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4048.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4048.17 PRESSURE: 1356400 -67.6252 78.8616 76.1557 78.8606 -114.966 -144.74 76.1554 -144.739 94.008 GPRESSURE: 1356400 -7.5831 22.083 43.422 117.79 -134.584 -121.789 84.3119 -105.127 146.587 PRESSAVG: 1356400 -18.5411 -5.10342 11.8687 -5.10348 22.1253 -25.7283 11.8687 -25.7284 -5.78271 GPRESSAVG: 1356400 -19.725 -7.86399 10.749 -4.20927 22.9534 -25.3595 12.9854 -26.1777 -5.24505 TIMING: 1356400 CPU: 4044.92, 0.00305262/step Wall: 4044.92, 0.00305262/step, 3.0896 hours remaining, 207.285156 MB of memory in use. ENERGY: 1356400 721.2542 2118.7030 1900.6104 109.8712 -206005.9111 17717.5371 0.0000 0.0000 34583.5951 -148854.3400 302.0271 -183437.9351 -148750.9501 300.1242 -29.5279 1.4730 558366.5291 -0.7328 -0.6722 PRESSURE: 1356600 -55.1058 -91.7829 54.3608 -91.7826 -162.688 182.603 54.3616 182.603 11.0395 GPRESSURE: 1356600 -11.0624 -64.9906 -47.4856 -103.308 -109.931 135.429 136.057 174.999 4.54991 PRESSAVG: 1356600 -23.6179 -26.5276 17.2348 -26.5276 11.1639 -1.92782 17.2347 -1.92773 6.80592 GPRESSAVG: 1356600 -21.3256 -24.808 15.8854 -24.3757 9.25346 -1.30582 16.9579 -2.76957 6.59231 TIMING: 1356600 CPU: 4045.52, 0.00296664/step Wall: 4045.52, 0.00296664/step, 3.0024 hours remaining, 207.285156 MB of memory in use. ENERGY: 1356600 738.7903 2071.3732 1938.5068 108.4288 -205899.7452 17826.7154 0.0000 0.0000 34317.0067 -148898.9239 299.6990 -183215.9307 -148799.6482 300.0443 -68.9181 -38.8144 558534.0944 -1.8827 -1.8266 PRESSURE: 1356800 -66.5198 39.2221 -90.146 39.2224 -274.477 -125.225 -90.1445 -125.225 -133.83 GPRESSURE: 1356800 -37.7565 57.9035 -47.3658 30.4847 -256.885 -63.6646 -57.6025 -117.028 -89.9016 PRESSAVG: 1356800 46.7235 60.1562 -1.06354 60.1562 -24.7059 -43.3014 -1.06357 -43.3015 -42.6942 GPRESSAVG: 1356800 46.329 59.6913 1.03843 58.6533 -24.4799 -42.9564 -2.92693 -41.5385 -42.7419 TIMING: 1356800 CPU: 4046.12, 0.00298982/step Wall: 4046.12, 0.00298982/step, 3.0257 hours remaining, 207.285156 MB of memory in use. ENERGY: 1356800 705.8208 2026.6419 1923.8283 111.2819 -205599.9548 17524.0572 0.0000 0.0000 34476.4139 -148831.9109 301.0911 -183308.3248 -148733.4232 300.1778 -158.2757 -128.1809 558311.4473 -6.8922 -6.9643 PRESSURE: 1357000 -65.4171 17.8611 74.4228 17.8606 197.52 -122.464 74.423 -122.463 24.0861 GPRESSURE: 1357000 -40.7041 27.2642 100.995 41.6939 232.012 -148.851 51.7509 -186.685 68.1218 PRESSAVG: 1357000 -29.4151 -9.58428 15.0242 -9.58417 20.2591 -42.3525 15.0243 -42.3525 -11.1959 GPRESSAVG: 1357000 -29.9186 -10.7176 13.5693 -10.078 21.1269 -42.8922 15.8243 -42.5184 -11.213 TIMING: 1357000 CPU: 4046.71, 0.00298775/step Wall: 4046.71, 0.00298775/step, 3.02344 hours remaining, 207.285156 MB of memory in use. ENERGY: 1357000 733.4781 2041.5013 1944.3885 105.3350 -205864.6617 17781.2171 0.0000 0.0000 34534.5928 -148724.1489 301.5992 -183258.7417 -148630.8711 300.6199 52.0629 86.4767 558266.2014 -6.7839 -6.6682 PRESSURE: 1357200 303.394 49.5826 -2.88089 49.5822 2.83703 -63.5984 -2.88088 -63.5998 220.485 GPRESSURE: 1357200 310.298 29.1926 47.8134 77.9498 31.5351 -114.145 -76.4318 68.1327 291.042 PRESSAVG: 1357200 0.0575396 25.1844 23.7029 25.1844 -37.4341 -43.4539 23.7028 -43.4539 14.0714 GPRESSAVG: 1357200 -0.411014 24.7769 26.1777 26.3627 -37.5384 -42.3583 23.0598 -44.8271 14.9223 TIMING: 1357200 CPU: 4047.31, 0.00297856/step Wall: 4047.31, 0.00297856/step, 3.01397 hours remaining, 207.285156 MB of memory in use. ENERGY: 1357200 738.4505 2087.0920 1913.9997 105.9116 -206058.3648 17938.1826 0.0000 0.0000 34540.8438 -148733.8846 301.6538 -183274.7284 -148637.0290 300.9863 175.5722 210.9585 556379.4464 -7.7684 -7.6757 PRESSURE: 1357400 33.1279 60.7947 -52.6923 60.7945 304.517 -26.6388 -52.6936 -26.6378 -138.246 GPRESSURE: 1357400 85.0887 -11.1174 -73.2527 142.031 310.732 60.9967 11.3343 -58.7459 -91.5875 PRESSAVG: 1357400 14.2091 -9.75371 3.11921 -9.75366 42.3884 5.78254 3.1192 5.78258 -27.5463 GPRESSAVG: 1357400 15.2188 -8.43263 0.387636 -9.84264 40.9841 6.51716 2.50272 6.28677 -27.4638 TIMING: 1357400 CPU: 4047.9, 0.00296722/step Wall: 4047.9, 0.00296722/step, 3.00233 hours remaining, 207.285156 MB of memory in use. ENERGY: 1357400 777.3575 2160.3155 1902.8981 123.3410 -205851.3922 17733.8906 0.0000 0.0000 34384.6618 -148768.9277 300.2898 -183153.5895 -148664.8708 300.5868 66.4666 101.4112 557218.7895 9.6837 9.5797 PRESSURE: 1357600 -153.578 -227.908 35.4122 -227.907 54.2487 -12.9427 35.4121 -12.9395 180.038 GPRESSURE: 1357600 -81.5239 -180.304 91.369 -210.165 45.0805 -45.4641 -39.3066 -16.7609 217.567 PRESSAVG: 1357600 -45.5721 -27.0866 -3.89296 -27.0865 1.10713 -8.00097 -3.89294 -8.00094 22.3353 GPRESSAVG: 1357600 -45.4783 -29.2926 -2.19783 -27.822 1.33999 -8.63972 -4.89676 -10.5171 21.934 TIMING: 1357600 CPU: 4048.5, 0.00296912/step Wall: 4048.5, 0.00296912/step, 3.00409 hours remaining, 207.285156 MB of memory in use. ENERGY: 1357600 739.7708 2061.8121 1924.9105 118.4368 -205860.3445 17763.3247 0.0000 0.0000 34325.8917 -148926.1979 299.7765 -183252.0896 -148832.9098 300.4011 26.9030 60.3745 557682.7669 -7.3766 -7.4014 PRESSURE: 1357800 45.2252 126.165 88.8778 126.164 -391.07 -89.8954 88.8772 -89.8967 -56.5814 GPRESSURE: 1357800 71.5328 43.8471 116.223 149.453 -401.556 -61.6011 108.253 -27.3641 15.9719 PRESSAVG: 1357800 -4.21057 -15.1858 20.1709 -15.1858 -27.1853 -25.7275 20.1708 -25.7276 -16.3233 GPRESSAVG: 1357800 -4.86247 -13.0049 18.2668 -17.3088 -27.1213 -24.4157 22.2176 -23.1691 -15.7155 TIMING: 1357800 CPU: 4049.09, 0.00298328/step Wall: 4049.09, 0.00298328/step, 3.01825 hours remaining, 207.285156 MB of memory in use. ENERGY: 1357800 758.8776 2124.6797 1896.0099 102.0123 -205604.2302 17462.0137 0.0000 0.0000 34002.5097 -149258.1272 296.9524 -183260.6369 -149160.0194 299.0463 -134.1421 -104.6836 558229.9542 -15.9064 -15.8998 PRESSURE: 1358000 57.3328 -10.5957 -221.127 -10.5959 -102.712 -34.8014 -221.128 -34.8017 -201.069 GPRESSURE: 1358000 47.2865 -55.0689 -211.215 94.9329 -38.0986 49.3467 -134.946 -22.7881 -161.31 PRESSAVG: 1358000 40.5446 62.4578 -11.7782 62.4579 -28.2176 -24.8434 -11.7781 -24.8435 52.0547 GPRESSAVG: 1358000 39.9446 62.0137 -11.279 63.5994 -27.7661 -26.0813 -11.7329 -25.4004 51.7794 TIMING: 1358000 CPU: 4049.69, 0.00300688/step Wall: 4049.69, 0.00300688/step, 3.04196 hours remaining, 207.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1358000 751.4545 2062.6610 1945.7631 115.8409 -205851.2421 17700.8603 0.0000 0.0000 34136.0812 -149138.5812 298.1189 -183274.6624 -149052.5883 299.1189 -82.1494 -50.7074 558583.4707 21.4606 21.3193 PRESSURE: 1358200 -6.58102 -31.6582 81.504 -31.6578 26.7183 -105.289 81.5038 -105.289 210.299 GPRESSURE: 1358200 83.8003 -25.3001 89.7062 -68.3848 54.2985 -90.8575 61.0097 -46.1807 182.093 PRESSAVG: 1358200 -12.3891 -15.9611 -26.5154 -15.9612 69.3609 -22.7247 -26.5154 -22.7246 -26.4746 GPRESSAVG: 1358200 -12.4825 -15.2271 -24.3729 -15.9715 69.2335 -23.4914 -27.3776 -21.0965 -26.301 TIMING: 1358200 CPU: 4050.3, 0.00303262/step Wall: 4050.3, 0.00303262/step, 3.06784 hours remaining, 207.285156 MB of memory in use. ENERGY: 1358200 732.9149 2111.7386 1944.4153 115.3648 -206287.0844 18050.3436 0.0000 0.0000 34240.8575 -149091.4497 299.0339 -183332.3073 -149000.7914 298.9029 76.8122 106.7305 558098.4841 10.1657 10.1500 PRESSURE: 1358400 104.471 127.186 45.4617 127.186 158.108 175.423 45.464 175.423 237.52 GPRESSURE: 1358400 179.016 67.9793 150.354 205.194 197.553 175.806 0.0326734 90.3724 231.581 PRESSAVG: 1358400 21.8559 -36.2465 22.6983 -36.2466 -53.6124 59.051 22.6982 59.0508 -1.05732 GPRESSAVG: 1358400 22.2934 -36.5465 21.2622 -37.7199 -55.0336 61.2205 23.1077 55.685 -0.122916 TIMING: 1358400 CPU: 4050.91, 0.00304857/step Wall: 4050.91, 0.00304857/step, 3.08379 hours remaining, 207.285156 MB of memory in use. ENERGY: 1358400 733.1613 2136.4850 1919.6495 108.2044 -206509.8232 18116.2189 0.0000 0.0000 34216.1830 -149279.9212 298.8184 -183496.1042 -149185.8046 299.1055 166.6997 202.7169 558132.6877 -10.9379 -10.9544 PRESSURE: 1358600 -40.0022 -156.692 -42.3622 -156.693 29.9663 -41.7883 -42.3625 -41.7877 -48.7501 GPRESSURE: 1358600 -36.8688 -142.255 -11.8885 -145.861 74.0507 -116.866 -2.81506 -19.4595 -17.4765 PRESSAVG: 1358600 10.5876 -61.6519 -33.8132 -61.6517 25.9264 -5.61252 -33.8133 -5.61252 19.1959 GPRESSAVG: 1358600 10.6315 -63.7879 -36.1857 -59.0724 26.8528 -6.17669 -33.3783 -4.76849 17.737 TIMING: 1358600 CPU: 4051.51, 0.00299713/step Wall: 4051.51, 0.00299713/step, 3.0316 hours remaining, 207.285156 MB of memory in use. ENERGY: 1358600 788.2254 2065.6865 1934.5595 106.5176 -206336.2642 17895.8070 0.0000 0.0000 34334.3697 -149211.0986 299.8506 -183545.4683 -149116.9091 298.8554 -19.5953 6.5685 558896.8532 18.5699 18.4071 PRESSURE: 1358800 95.2932 92.2512 -172.017 92.2519 47.2573 58.4409 -172.019 58.4405 -136.965 GPRESSURE: 1358800 172.711 111.596 -125.516 14.3689 -8.617 1.85577 -195.835 152.218 -66.401 PRESSAVG: 1358800 -41.9881 -47.606 54.165 -47.6058 0.163191 -20.9288 54.1649 -20.9288 24.066 GPRESSAVG: 1358800 -42.3591 -45.8776 55.0134 -49.3141 -1.06685 -22.9528 52.869 -17.7082 25.0615 TIMING: 1358800 CPU: 4052.11, 0.00300415/step Wall: 4052.11, 0.00300415/step, 3.03853 hours remaining, 207.285156 MB of memory in use. ENERGY: 1358800 738.3165 2076.4730 1909.1462 119.9073 -206196.4182 17906.7364 0.0000 0.0000 34055.3707 -149390.4681 297.4140 -183445.8389 -149299.6027 299.1612 1.8617 32.5642 557954.9948 -5.9196 -6.1215 PRESSURE: 1359000 213.173 121.243 -65.441 121.243 -13.6394 141.024 -65.4425 141.026 245.778 GPRESSURE: 1359000 270.729 150.845 -158.925 57.7223 14.9542 213.341 -35.7967 80.2975 249.692 PRESSAVG: 1359000 -21.7679 26.8128 0.166649 26.8128 -109.848 7.84079 0.166711 7.84072 108.7 GPRESSAVG: 1359000 -22.1762 24.6661 0.446777 28.2297 -109.806 10.443 1.06045 5.00972 108.609 TIMING: 1359000 CPU: 4052.71, 0.00301648/step Wall: 4052.71, 0.00301648/step, 3.05084 hours remaining, 207.285156 MB of memory in use. ENERGY: 1359000 785.3051 2073.3356 1931.5371 115.3015 -206316.0447 18054.8468 0.0000 0.0000 34117.7351 -149237.9835 297.9587 -183355.7186 -149140.8478 298.8576 148.4371 178.4586 557066.3285 -7.6388 -7.7912 PRESSURE: 1359200 -171.65 -80.1235 -59.3725 -80.1242 85.9327 32.3321 -59.3726 32.3327 -92.0657 GPRESSURE: 1359200 -138.545 1.0883 -6.15891 -74.3263 114.87 -25.3374 -32.4595 68.4216 -55.9156 PRESSAVG: 1359200 0.368745 -11.0768 43.0357 -11.0769 0.321692 -34.4555 43.0357 -34.4554 10.4758 GPRESSAVG: 1359200 0.333091 -9.69833 43.3634 -9.50518 0.569437 -33.6651 41.5526 -32.8121 10.4164 TIMING: 1359200 CPU: 4053.32, 0.00303911/step Wall: 4053.32, 0.00303911/step, 3.07355 hours remaining, 207.285156 MB of memory in use. ENERGY: 1359200 788.7902 2119.9238 1935.1370 114.5083 -206270.8582 17771.6196 0.0000 0.0000 34338.2275 -149202.6517 299.8843 -183540.8793 -149100.5528 299.2017 -59.2609 -26.5302 557702.9829 3.7221 3.7730 PRESSURE: 1359400 -235.399 -182.659 6.97888 -182.658 110.775 62.4132 6.97896 62.4122 128.652 GPRESSURE: 1359400 -217.032 1.23994 -48.6306 -240.994 128.278 105.779 -21.9344 10.6777 186.69 PRESSAVG: 1359400 -52.3446 12.4065 67.0547 12.4064 -6.10686 -3.96038 67.0548 -3.96051 66.0875 GPRESSAVG: 1359400 -52.8673 13.1009 66.7593 10.804 -5.43176 -4.26924 68.5009 -5.42245 66.1283 TIMING: 1359400 CPU: 4053.93, 0.00303856/step Wall: 4053.93, 0.00303856/step, 3.07283 hours remaining, 207.285156 MB of memory in use. ENERGY: 1359400 751.2296 2076.1778 1918.8986 105.6837 -206048.3944 17694.1744 0.0000 0.0000 34176.9928 -149325.2376 298.4762 -183502.2304 -149227.4018 298.8126 1.3428 32.6454 557962.1728 2.5453 2.6098 PRESSURE: 1359600 -302.413 -13.9107 41.6812 -13.9113 80.0839 -42.7471 41.6816 -42.7472 201.456 GPRESSURE: 1359600 -273.144 28.1801 8.00711 -114.168 138.876 35.6654 42.208 -92.991 209.274 PRESSAVG: 1359600 -20.2082 -10.0595 43.1228 -10.0594 46.5692 3.2586 43.1228 3.25871 -14.566 GPRESSAVG: 1359600 -20.2148 -9.96837 43.3529 -10.6643 46.111 3.41962 42.362 3.90819 -14.7289 TIMING: 1359600 CPU: 4054.53, 0.00301114/step Wall: 4054.53, 0.00301114/step, 3.04494 hours remaining, 207.285156 MB of memory in use. ENERGY: 1359600 775.9220 2077.3391 1942.1346 121.1391 -206388.8272 18031.9495 0.0000 0.0000 34165.2895 -149275.0534 298.3740 -183440.3430 -149182.1591 298.9447 -6.9576 25.0019 558418.6377 3.9317 3.7225 PRESSURE: 1359800 -268.283 95.6218 74.1506 95.622 14.5844 43.7038 74.1512 43.7055 -49.1809 GPRESSURE: 1359800 -220.378 27.0382 -19.8835 6.74759 -4.82874 47.9303 45.2749 41.7847 21.2108 PRESSAVG: 1359800 -59.3266 2.76709 72.2462 2.76709 53.7585 -28.037 72.2462 -28.0369 20.7905 GPRESSAVG: 1359800 -59.1751 3.58056 74.8193 1.92352 54.1177 -28.1283 70.1321 -28.03 19.7998 TIMING: 1359800 CPU: 4055.13, 0.00299167/step Wall: 4055.13, 0.00299167/step, 3.02508 hours remaining, 207.285156 MB of memory in use. ENERGY: 1359800 767.3184 2129.4789 1908.3980 111.4757 -205858.9823 17693.5103 0.0000 0.0000 34077.1319 -149171.6692 297.6041 -183248.8011 -149074.1065 299.7610 -100.9598 -67.9985 558916.7138 5.0741 4.9141 PRESSURE: 1360000 -276.206 30.5841 -22.4545 30.5837 -65.7625 36.102 -22.4543 36.1009 101.956 GPRESSURE: 1360000 -220.982 -6.47829 -79.8361 149.722 -79.5865 7.6894 67.2639 54.7478 151.534 PRESSAVG: 1360000 -60.7185 11.4115 -41.4311 11.4115 46.4425 65.1733 -41.4312 65.1732 23.7592 GPRESSAVG: 1360000 -61.6112 10.5251 -44.3922 12.1404 46.3261 62.1617 -38.4982 66.1442 25.0219 TIMING: 1360000 CPU: 4055.73, 0.00299483/step Wall: 4055.73, 0.00299483/step, 3.02811 hours remaining, 207.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1360000 703.1560 2126.2490 1920.6800 121.9912 -205969.0876 17689.1378 0.0000 0.0000 34256.8297 -149151.0438 299.1734 -183407.8735 -149052.8538 298.8087 -80.0040 -49.6779 559218.1015 3.1611 3.2456 PRESSURE: 1360200 -118.981 88.3486 -7.95061 88.3479 -68.9673 9.57165 -7.95187 9.57378 12.2956 GPRESSURE: 1360200 -57.844 48.418 129.981 44.7478 -133.768 -45.5853 -59.3841 -10.4803 116.543 PRESSAVG: 1360200 -15.3397 -8.90986 10.4524 -8.90984 -24.5482 30.801 10.4524 30.8011 40.7667 GPRESSAVG: 1360200 -14.4325 -9.77941 10.4477 -8.66883 -26.2673 32.721 10.5033 29.8895 41.4588 TIMING: 1360200 CPU: 4056.33, 0.00298553/step Wall: 4056.33, 0.00298553/step, 3.01854 hours remaining, 207.285156 MB of memory in use. ENERGY: 1360200 758.1299 2136.2799 1916.2076 109.5152 -205985.9230 17707.5154 0.0000 0.0000 34093.8283 -149264.4467 297.7499 -183358.2750 -149167.1654 298.7014 -58.5509 -25.0231 556778.1049 0.2930 0.2530 LDB: ============= START OF LOAD BALANCING ============== 4059.88 LDB: ============== END OF LOAD BALANCING =============== 4059.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4059.88 LDB: ============= START OF LOAD BALANCING ============== 4060.18 LDB: Largest compute 4796 load 0.024476 is 20.7% of average load 0.118162 LDB: Average compute 0.001728 is 1.5% of average load 0.118162 LDB: TIME 4060.18 LOAD: AVG 0.118162 MAX 0.211013 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.828 MB LDB: TIME 4060.18 LOAD: AVG 0.118162 MAX 0.211013 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.891 MB LDB: TIME 4060.18 LOAD: AVG 0.118162 MAX 0.211013 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.891 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4060.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4060.19 PRESSURE: 1360400 92.8364 117.951 52.1729 117.953 127.097 -111.746 52.1729 -111.745 -68.4963 GPRESSURE: 1360400 126.491 84.1642 122.378 138.378 159.427 -39.7945 8.7817 -137.537 -35.1704 PRESSAVG: 1360400 10.1326 -12.0076 13.9675 -12.0076 -40.8128 -58.6285 13.9675 -58.6286 -2.40632 GPRESSAVG: 1360400 9.89375 -9.67036 16.1296 -11.0879 -39.9272 -57.8348 12.8142 -56.2101 -3.41559 TIMING: 1360400 CPU: 4056.94, 0.0030544/step Wall: 4056.94, 0.0030544/step, 3.088 hours remaining, 207.214844 MB of memory in use. ENERGY: 1360400 690.0254 2171.3659 1911.7649 111.7187 -206148.1358 17624.1318 0.0000 0.0000 34453.3054 -149185.8237 300.8893 -183639.1291 -149091.2944 298.6249 50.4790 83.5823 556957.4983 -11.0289 -11.1497 PRESSURE: 1360600 -94.3953 -34.6844 -16.4351 -34.684 -257.117 -193.856 -16.4368 -193.855 43.7536 GPRESSURE: 1360600 -68.8872 -85.4262 33.261 -37.5004 -188.134 -182.471 -92.9591 -163.042 37.4496 PRESSAVG: 1360600 5.91627 -14.1883 -14.8194 -14.1882 -67.2778 -0.301442 -14.8194 -0.301447 85.5756 GPRESSAVG: 1360600 6.802 -16.8046 -17.0483 -14.9346 -68.1758 -0.682579 -13.5611 -0.945226 84.7867 TIMING: 1360600 CPU: 4057.53, 0.00298728/step Wall: 4057.53, 0.00298728/step, 3.01997 hours remaining, 207.417969 MB of memory in use. ENERGY: 1360600 730.4347 2100.0557 1942.0713 123.4840 -205764.2615 17546.2118 0.0000 0.0000 34376.1107 -148945.8933 300.2151 -183322.0040 -148849.4379 299.7839 -102.5862 -73.1904 557152.7086 8.0714 7.8043 PRESSURE: 1360800 149.519 44.2607 64.308 44.2609 -126.008 -30.3193 64.3075 -30.318 -274.288 GPRESSURE: 1360800 204.766 57.1445 39.9124 55.6035 -89.4117 12.267 140.388 -45.9082 -276.42 PRESSAVG: 1360800 65.7949 -30.409 -58.2967 -30.4091 -36.8956 41.6452 -58.2967 41.6452 58.3541 GPRESSAVG: 1360800 65.4875 -30.3363 -56.5295 -29.7532 -36.7536 41.4021 -60.6715 41.8685 58.6987 TIMING: 1360800 CPU: 4058.13, 0.00296042/step Wall: 4058.13, 0.00296042/step, 2.99265 hours remaining, 207.417969 MB of memory in use. ENERGY: 1360800 737.7439 2087.0050 1914.7162 112.0736 -205717.2896 17590.8239 0.0000 0.0000 34309.6475 -148965.2796 299.6347 -183274.9271 -148863.5377 300.3752 -83.5925 -53.6884 558841.7684 29.0845 29.1442 PRESSURE: 1361000 -253.201 100.327 35.2341 100.328 -205.91 -59.8544 35.2339 -59.8562 -128.423 GPRESSURE: 1361000 -242.482 149.821 97.6449 54.2144 -142.793 -82.4375 9.186 22.1046 -93.3901 PRESSAVG: 1361000 30.0572 1.42338 -23.2352 1.42337 -64.4978 43.8958 -23.2352 43.8959 -2.25574 GPRESSAVG: 1361000 29.1228 2.65571 -23.0018 -0.0614149 -63.3463 45.1773 -23.0911 42.9528 -2.49808 TIMING: 1361000 CPU: 4058.72, 0.00298792/step Wall: 4058.72, 0.00298792/step, 3.02029 hours remaining, 207.417969 MB of memory in use. ENERGY: 1361000 754.2201 2052.1512 1929.7666 115.2602 -205950.8854 17656.0740 0.0000 0.0000 34373.4599 -149069.9534 300.1920 -183443.4132 -148979.0916 299.6251 -195.8446 -159.5548 557866.0036 -12.2321 -12.2405 PRESSURE: 1361200 -169.44 60.169 73.4472 60.1686 187.091 -19.1561 73.4458 -19.1559 176.341 GPRESSURE: 1361200 -93.0426 75.7089 121.962 95.2853 169.13 -152.848 32.2803 -54.1727 206.54 PRESSAVG: 1361200 5.57342 9.37027 -5.10337 9.37026 40.5183 -18.5835 -5.10346 -18.5835 -13.5638 GPRESSAVG: 1361200 6.0559 7.44747 -5.10166 11.9382 38.5961 -20.6118 -6.93705 -15.6626 -12.6682 TIMING: 1361200 CPU: 4059.32, 0.00300283/step Wall: 4059.32, 0.00300283/step, 3.03519 hours remaining, 207.417969 MB of memory in use. ENERGY: 1361200 707.5512 2112.0781 1924.2216 105.7611 -206209.4078 17945.3130 0.0000 0.0000 34178.5500 -149235.9328 298.4898 -183414.4828 -149139.3143 299.3400 64.6642 94.2092 558686.6177 10.8426 10.6613 PRESSURE: 1361400 43.5073 -25.8122 98.528 -25.812 -107.437 -29.7985 98.528 -29.8002 -202.453 GPRESSURE: 1361400 56.6887 6.54394 124.948 -117.109 -56.2873 -22.3452 193.223 -71.8096 -161.701 PRESSAVG: 1361400 -1.42647 -28.5429 -11.3869 -28.5429 19.1757 -21.4542 -11.3869 -21.4542 -37.7223 GPRESSAVG: 1361400 -1.0297 -25.7862 -12.5803 -31.1467 19.7459 -21.889 -9.22211 -24.036 -38.9126 TIMING: 1361400 CPU: 4059.92, 0.00299459/step Wall: 4059.92, 0.00299459/step, 3.0267 hours remaining, 207.417969 MB of memory in use. ENERGY: 1361400 720.7695 2038.0263 1917.5681 110.5820 -206044.7561 17652.6834 0.0000 0.0000 34279.2655 -149325.8613 299.3694 -183605.1268 -149231.5293 299.3808 -88.7942 -53.7664 556334.3098 -6.6577 -6.7321 PRESSURE: 1361600 59.4269 5.58862 229.12 5.58865 -238.804 84.1937 229.118 84.1939 -201.883 GPRESSURE: 1361600 49.2031 -10.5343 124.96 70.9594 -173.525 149.968 241.984 83.9203 -163.906 PRESSAVG: 1361600 45.818 -9.24402 -25.6943 -9.244 -35.8134 -37.428 -25.6943 -37.4281 21.0202 GPRESSAVG: 1361600 43.9159 -9.91802 -26.5214 -7.55666 -35.5561 -34.026 -25.5613 -38.1501 22.319 TIMING: 1361600 CPU: 4060.52, 0.00299014/step Wall: 4060.52, 0.00299014/step, 3.02204 hours remaining, 207.417969 MB of memory in use. ENERGY: 1361600 721.1635 2074.9329 1914.8810 106.7671 -206226.8629 17691.7824 0.0000 0.0000 34263.2861 -149454.0500 299.2298 -183717.3360 -149363.9401 298.5442 -127.0869 -96.0758 556608.6623 10.3416 10.2263 PRESSURE: 1361800 -152.978 -18.0002 -34.6977 -18.0003 -25.2314 -6.43695 -34.6963 -6.43725 -156.663 GPRESSURE: 1361800 -118.68 -38.3695 41.7962 -11.9406 -3.96776 -21.0596 -155.661 58.8493 -124.485 PRESSAVG: 1361800 59.4208 -22.398 -2.75152 -22.3981 26.2291 -24.6843 -2.75144 -24.6844 -78.2578 GPRESSAVG: 1361800 60.7712 -21.3508 -1.5234 -25.4912 26.2032 -25.4023 -2.90608 -25.2035 -79.355 TIMING: 1361800 CPU: 4061.12, 0.00297473/step Wall: 4061.12, 0.00297473/step, 3.0063 hours remaining, 207.417969 MB of memory in use. ENERGY: 1361800 775.6444 2071.4009 1896.1284 108.1144 -206038.6148 17631.6905 0.0000 0.0000 34194.0424 -149361.5939 298.6251 -183555.6363 -149258.8561 298.9001 -111.6240 -82.3776 556383.3284 2.4640 2.5398 PRESSURE: 1362000 -274.988 -191.124 -8.22321 -191.125 -122.475 -24.2071 -8.22315 -24.2067 -306.737 GPRESSURE: 1362000 -263.934 -151.701 -34.1369 -226.507 -115.599 2.47569 -24.862 -12.8569 -235.978 PRESSAVG: 1362000 16.3916 6.15465 -8.28629 6.15468 -62.3553 8.04178 -8.28645 8.04175 40.1629 GPRESSAVG: 1362000 15.944 6.12276 -9.08084 8.21247 -62.1313 6.78202 -10.4709 9.03134 40.6739 TIMING: 1362000 CPU: 4061.71, 0.00297027/step Wall: 4061.71, 0.00297027/step, 3.00162 hours remaining, 207.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1362000 769.8974 2063.0389 1928.0920 116.9516 -206066.0093 17581.6408 0.0000 0.0000 34169.9191 -149436.4695 298.4144 -183606.3886 -149340.8669 298.4982 -234.7335 -205.1704 557773.8224 -1.9336 -1.8378 PRESSURE: 1362200 -49.5041 -36.3101 -71.0844 -36.3093 -101.792 81.4499 -71.0822 81.4506 -208.829 GPRESSURE: 1362200 23.9071 -30.8015 -49.2142 -107.673 -37.6728 -31.7329 -84.1471 178.921 -257.948 PRESSAVG: 1362200 -22.7976 12.5932 -36.6286 12.5932 15.4057 -3.02585 -36.6286 -3.02581 -8.72365 GPRESSAVG: 1362200 -22.8042 11.4011 -37.3193 14.9357 14.8905 -3.06643 -34.7638 -3.01658 -8.13002 TIMING: 1362200 CPU: 4062.3, 0.00296805/step Wall: 4062.3, 0.00296805/step, 2.99921 hours remaining, 207.417969 MB of memory in use. ENERGY: 1362200 749.9599 2094.1271 1915.3364 123.8124 -206332.7832 17620.0286 0.0000 0.0000 34207.6173 -149621.9014 298.7436 -183829.5187 -149532.2450 298.5422 -120.0417 -90.5714 555885.9126 -5.3719 -5.3479 PRESSURE: 1362400 -91.0466 31.9782 -90.2532 31.9777 -216.046 -82.3549 -90.2541 -82.356 52.0787 GPRESSURE: 1362400 -31.0399 53.9443 -117.444 -12.6026 -185.317 29.2668 -40.0609 -130.926 55.6786 PRESSAVG: 1362400 15.6202 7.13861 -20.5853 7.13852 -45.1152 -9.42315 -20.5854 -9.42313 36.0462 GPRESSAVG: 1362400 16.2168 8.37229 -19.0115 6.08774 -45.3887 -10.1426 -20.2845 -8.5087 36.0883 TIMING: 1362400 CPU: 4062.9, 0.00297795/step Wall: 4062.9, 0.00297795/step, 3.00905 hours remaining, 207.417969 MB of memory in use. ENERGY: 1362400 755.1570 2069.7082 1923.0775 98.8175 -206536.0415 17877.4712 0.0000 0.0000 34328.7624 -149483.0478 299.8016 -183811.8102 -149387.4426 298.3920 -85.0047 -53.5593 556865.9296 2.1837 2.3055 PRESSURE: 1362600 -107.556 5.49232 2.20722 5.49231 4.38127 38.9281 2.2079 38.9281 0.68994 GPRESSURE: 1362600 -30.3763 36.9463 10.3341 -24.4806 -34.7124 3.22077 32.522 57.7968 60.6275 PRESSAVG: 1362600 -38.1868 -62.2859 -5.38073 -62.2858 -31.095 36.0576 -5.38077 36.0575 36.6799 GPRESSAVG: 1362600 -37.5386 -62.9786 -4.04395 -63.9934 -30.1115 36.7837 -7.15382 37.2212 35.9578 TIMING: 1362600 CPU: 4063.5, 0.00298397/step Wall: 4063.5, 0.00298397/step, 3.01497 hours remaining, 207.417969 MB of memory in use. ENERGY: 1362600 774.0462 2047.5273 1916.8664 102.9887 -206540.8026 17945.0571 0.0000 0.0000 34202.7063 -149551.6107 298.7007 -183754.3169 -149456.5001 298.8083 -34.1618 -1.4871 556174.3978 -10.8673 -10.5641 PRESSURE: 1362800 293.192 -75.7388 41.8993 -75.7363 169.143 59.5796 41.8986 59.581 -82.8884 GPRESSURE: 1362800 303.729 -37.3524 44.8158 -89.7898 204.829 36.4388 98.1544 22.2391 -45.8327 PRESSAVG: 1362800 89.3721 -37.0119 43.0959 -37.0119 -41.7568 39.0016 43.0958 39.0016 -102.671 GPRESSAVG: 1362800 89.4524 -36.4411 41.9836 -37.4413 -42.9251 38.1215 43.4832 36.6774 -100.819 TIMING: 1362800 CPU: 4064.09, 0.00297783/step Wall: 4064.09, 0.00297783/step, 3.0086 hours remaining, 207.417969 MB of memory in use. ENERGY: 1362800 741.1595 2097.2260 1930.6027 118.3530 -206621.3407 18025.2345 0.0000 0.0000 34177.2561 -149531.5089 298.4785 -183708.7649 -149433.1801 297.9041 126.4823 154.2418 556796.3345 -18.3517 -18.0971 PRESSURE: 1363000 -322.185 -41.8472 -9.6113 -41.8475 64.5942 79.5889 -9.61238 79.5884 -150.266 GPRESSURE: 1363000 -283.273 -100.862 -33.4608 14.7952 105.737 100.539 32.1323 80.2955 -140.106 PRESSAVG: 1363000 9.99601 -25.0222 2.67122 -25.0221 12.7305 56.9918 2.67113 56.9918 -19.5724 GPRESSAVG: 1363000 10.9486 -24.6538 0.62409 -23.0781 12.1636 57.355 4.44569 59.711 -20.477 TIMING: 1363000 CPU: 4064.69, 0.00298367/step Wall: 4064.69, 0.00298367/step, 3.01433 hours remaining, 207.417969 MB of memory in use. ENERGY: 1363000 763.2691 2058.5956 1957.1376 99.0901 -206493.1682 17748.9105 0.0000 0.0000 34346.6458 -149519.5195 299.9578 -183866.1653 -149427.9303 298.4590 -135.9522 -105.8804 558683.4843 1.0514 0.8784 PRESSURE: 1363200 -98.5678 110.586 -91.7302 110.588 -79.2494 43.7559 -91.7317 43.7553 -24.3219 GPRESSURE: 1363200 -86.5144 66.7787 5.80449 73.4283 -74.2542 114.587 -138.315 24.5375 57.1818 PRESSAVG: 1363200 32.4307 -14.3683 3.38472 -14.3683 -65.5657 35.7222 3.38478 35.7223 24.9672 GPRESSAVG: 1363200 31.5232 -14.9505 4.48825 -16.0311 -64.3251 36.6426 1.66181 33.0457 24.9456 TIMING: 1363200 CPU: 4065.28, 0.00297927/step Wall: 4065.28, 0.00297927/step, 3.00972 hours remaining, 207.417969 MB of memory in use. ENERGY: 1363200 716.4365 2095.2627 1935.4275 111.9032 -206245.3170 17718.8338 0.0000 0.0000 34199.7441 -149467.7090 298.6749 -183667.4532 -149377.6120 298.6973 -67.3797 -34.5289 558367.1711 -2.7226 -2.6188 PRESSURE: 1363400 -21.6317 -130.345 97.0181 -130.345 99.4967 -33.5061 97.0198 -33.5071 160.118 GPRESSURE: 1363400 59.94 -65.7619 30.0985 -225.946 99.389 -42.6324 108.063 -53.6613 174.279 PRESSAVG: 1363400 -17.1664 -44.4836 14.5292 -44.4836 4.27838 -7.63904 14.5292 -7.63909 37.7039 GPRESSAVG: 1363400 -17.7024 -43.5636 14.81 -44.969 4.84088 -7.24448 12.9055 -7.3622 37.5485 TIMING: 1363400 CPU: 4065.89, 0.00300698/step Wall: 4065.89, 0.00300698/step, 3.03755 hours remaining, 207.417969 MB of memory in use. ENERGY: 1363400 695.9420 2086.6133 1930.5703 112.6146 -206571.5985 17981.5711 0.0000 0.0000 34337.2187 -149427.0685 299.8755 -183764.2872 -149330.6510 299.2143 79.3277 111.2028 556660.9531 8.2720 8.2290 PRESSURE: 1363600 -105.596 -155.268 44.995 -155.265 -223.465 -6.82872 44.9948 -6.82779 -94.2234 GPRESSURE: 1363600 -103.464 -142.832 99.2942 -193.275 -178.289 -6.59212 30.4077 -90.8804 -44.1422 PRESSAVG: 1363600 -20.5021 -10.4091 35.4709 -10.4091 27.2285 -42.2516 35.4709 -42.2516 25.5279 GPRESSAVG: 1363600 -19.3683 -10.2138 35.4604 -10.9169 26.7074 -41.2518 36.9474 -43.555 25.1156 TIMING: 1363600 CPU: 4066.49, 0.00304003/step Wall: 4066.49, 0.00304003/step, 3.07076 hours remaining, 207.417969 MB of memory in use. ENERGY: 1363600 762.0871 2098.3732 1927.0319 112.5613 -206200.4660 17500.2510 0.0000 0.0000 34281.1772 -149518.9844 299.3860 -183800.1616 -149426.4831 298.4108 -141.0949 -108.6318 557826.0514 10.7514 10.8182 PRESSURE: 1363800 -276.408 -156.119 -111.431 -156.119 -357.8 -23.6431 -111.432 -23.643 -21.2699 GPRESSURE: 1363800 -247.554 -110.184 -186.772 -104.674 -237.657 -25.6653 -59.688 -55.9508 -84.0683 PRESSAVG: 1363800 -47.6847 -27.2948 -34.7661 -27.2947 29.734 -43.8319 -34.7661 -43.8318 53.8059 GPRESSAVG: 1363800 -48.5294 -26.8798 -32.2312 -26.5192 29.8282 -45.7674 -35.9022 -43.3222 54.4843 TIMING: 1363800 CPU: 4067.1, 0.00300867/step Wall: 4067.1, 0.00300867/step, 3.03892 hours remaining, 207.417969 MB of memory in use. ENERGY: 1363800 728.5712 2086.9418 1932.2689 108.7496 -205851.5469 17477.3503 0.0000 0.0000 34259.5903 -149258.0747 299.1975 -183517.6650 -149163.0520 299.0076 -218.4928 -189.7597 558653.0351 11.9518 11.9277 PRESSURE: 1364000 -204.864 -132.882 -182.728 -132.881 -1.17657 -45.2524 -182.729 -45.2518 -281.34 GPRESSURE: 1364000 -144.444 -189.919 -131.684 -125.411 23.717 -95.911 -235.335 -37.7494 -269.225 PRESSAVG: 1364000 23.6967 -20.9087 -44.9263 -20.9087 26.4958 -17.0294 -44.9263 -17.0295 -48.1526 GPRESSAVG: 1364000 23.9865 -22.9426 -46.4165 -20.2673 25.7537 -16.2669 -43.4482 -17.5752 -48.471 TIMING: 1364000 CPU: 4067.69, 0.00295891/step Wall: 4067.69, 0.00295891/step, 2.9885 hours remaining, 207.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1364000 761.5786 2061.5775 1909.8065 112.9205 -206026.7500 17698.8400 0.0000 0.0000 34142.7430 -149339.2837 298.1771 -183482.0268 -149243.9827 299.2301 -162.4604 -129.9841 557567.3730 0.6800 0.4231 PRESSURE: 1364200 -52.9507 1.89875 -16.6928 1.89782 206.689 -36.9901 -16.6935 -36.9888 63.435 GPRESSURE: 1364200 -3.0101 0.16957 94.3273 -55.306 213.977 -87.0815 -63.4688 39.645 102.739 PRESSAVG: 1364200 -19.8092 -2.24986 -3.85579 -2.2499 -33.3328 0.256287 -3.85584 0.256179 35.1848 GPRESSAVG: 1364200 -19.209 -2.72896 -4.8578 -2.23485 -33.6072 -0.568968 -3.15646 0.199203 35.3869 TIMING: 1364200 CPU: 4068.28, 0.00297061/step Wall: 4068.28, 0.00297061/step, 3.00015 hours remaining, 207.417969 MB of memory in use. ENERGY: 1364200 697.0107 2096.3123 1954.6520 112.3752 -206192.2949 17886.4199 0.0000 0.0000 34157.8934 -149287.6314 298.3094 -183445.5247 -149192.7389 298.0045 72.3911 104.5686 558099.3281 -5.9857 -5.8098 LDB: ============= START OF LOAD BALANCING ============== 4071.83 LDB: ============== END OF LOAD BALANCING =============== 4071.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4071.83 LDB: ============= START OF LOAD BALANCING ============== 4072.14 LDB: Largest compute 4796 load 0.024425 is 20.7% of average load 0.118173 LDB: Average compute 0.001728 is 1.5% of average load 0.118173 LDB: TIME 4072.14 LOAD: AVG 0.118173 MAX 0.215985 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.027 MB LDB: TIME 4072.14 LOAD: AVG 0.118173 MAX 0.215985 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.07 MB LDB: TIME 4072.14 LOAD: AVG 0.118173 MAX 0.215985 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.07 MB LDB: ============== END OF LOAD BALANCING =============== 4072.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4072.15 PRESSURE: 1364400 139.307 -131.723 -143.712 -131.723 -67.7033 33.9078 -143.713 33.9073 117.395 GPRESSURE: 1364400 140.595 -129.819 -152.772 -57.4532 9.21422 13.2758 -164.002 78.9601 125.53 PRESSAVG: 1364400 -76.5653 -14.9624 27.2788 -14.9624 -44.6412 4.59076 27.2787 4.59077 74.6467 GPRESSAVG: 1364400 -76.5597 -13.6107 26.3546 -15.8414 -44.2168 4.19922 26.8448 5.68544 73.6233 TIMING: 1364400 CPU: 4068.9, 0.00307893/step Wall: 4068.9, 0.00307893/step, 3.10938 hours remaining, 206.714844 MB of memory in use. ENERGY: 1364400 772.1046 2073.7519 1935.3528 110.3418 -206656.2189 18132.0237 0.0000 0.0000 34311.3732 -149321.2709 299.6498 -183632.6441 -149226.2217 298.9984 62.9997 91.7796 557658.8357 -15.5199 -15.7177 PRESSURE: 1364600 -179.054 -7.24274 65.6875 -7.24253 -86.5959 -47.9016 65.6886 -47.9023 -194.783 GPRESSURE: 1364600 -187.4 16.1379 33.7117 81.3773 -36.9305 16.5235 92.1885 -83.0326 -150.964 PRESSAVG: 1364600 -19.0654 -26.4768 9.13899 -26.4768 42.7976 3.56492 9.13899 3.56496 -12.4411 GPRESSAVG: 1364600 -18.7672 -25.8639 9.81626 -26.5217 42.2202 4.64544 9.51517 4.12859 -12.0652 TIMING: 1364600 CPU: 4069.5, 0.00299025/step Wall: 4069.5, 0.00299025/step, 3.01966 hours remaining, 206.714844 MB of memory in use. ENERGY: 1364600 716.9982 2101.4289 1917.9008 113.1832 -206333.6894 17794.7253 0.0000 0.0000 34405.8575 -149283.5954 300.4749 -183689.4528 -149192.2661 299.0335 -153.4777 -125.0983 558531.1702 3.7637 3.7959 PRESSURE: 1364800 -8.11624 85.72 -45.0454 85.7205 -82.1719 -73.724 -45.0454 -73.7246 8.53554 GPRESSURE: 1364800 -3.55549 68.2189 -67.7454 27.7007 -87.0908 -87.0844 35.5299 1.05314 107.18 PRESSAVG: 1364800 21.3607 24.6111 -22.5852 24.611 -42.4455 12.9604 -22.5851 12.9606 -31.6708 GPRESSAVG: 1364800 21.3057 23.0284 -22.105 24.7233 -42.6916 13.6076 -23.4411 10.6177 -31.3727 TIMING: 1364800 CPU: 4070.09, 0.00297658/step Wall: 4070.09, 0.00297658/step, 3.00568 hours remaining, 206.714844 MB of memory in use. ENERGY: 1364800 755.9602 2062.4207 1936.2680 108.7790 -206377.3392 17871.2386 0.0000 0.0000 34430.9151 -149211.7576 300.6937 -183642.6727 -149114.5359 299.7784 -27.2509 5.5111 556299.2981 -17.5852 -17.5862 PRESSURE: 1365000 49.7858 94.1305 -82.4903 94.13 -79.1472 -122.948 -82.4902 -122.949 -147.634 GPRESSURE: 1365000 115.971 6.68169 -148.99 100.726 -51.7571 -112.863 -109.809 -142.126 -142.579 PRESSAVG: 1365000 102.983 61.7439 -41.3613 61.7439 -77.6839 37.2036 -41.3612 37.2036 12.9816 GPRESSAVG: 1365000 103.057 61.2009 -42.5918 62.3441 -77.6478 36.0732 -42.2006 38.3033 12.8101 TIMING: 1365000 CPU: 4070.68, 0.00296843/step Wall: 4070.68, 0.00296843/step, 2.99729 hours remaining, 206.714844 MB of memory in use. ENERGY: 1365000 742.5105 2075.1408 1939.4389 135.0155 -205960.3277 17697.6336 0.0000 0.0000 34129.5367 -149241.0518 298.0617 -183370.5885 -149141.2768 299.9593 -58.9986 -26.1218 555747.5845 12.7603 12.7397 PRESSURE: 1365200 107.303 170.534 -110.354 170.534 359.482 -130.922 -110.354 -130.921 -279.244 GPRESSURE: 1365200 113.929 88.4186 -88.5729 141.725 384.738 -37.4427 -239.427 -182.625 -220.233 PRESSAVG: 1365200 -27.5682 55.5677 -67.8027 55.5677 83.7956 -53.6494 -67.8027 -53.6494 -34.3553 GPRESSAVG: 1365200 -28.0358 56.0014 -67.6889 53.912 83.7625 -51.7453 -64.4941 -55.7202 -33.8174 TIMING: 1365200 CPU: 4071.28, 0.00297653/step Wall: 4071.28, 0.00297653/step, 3.0053 hours remaining, 206.714844 MB of memory in use. ENERGY: 1365200 747.1942 2054.3749 1958.4972 114.0282 -206185.1802 17867.9883 0.0000 0.0000 34360.6969 -149082.4005 300.0805 -183443.0975 -148980.3245 299.7205 62.5137 92.8114 557536.6902 7.2907 7.3031 PRESSURE: 1365400 -73.8041 18.4932 56.567 18.4929 -82.7036 100.985 56.5658 100.985 81.8364 GPRESSURE: 1365400 -34.7775 65.8857 -9.67451 26.4139 -46.3311 143.158 140.496 39.196 104.79 PRESSAVG: 1365400 30.5272 17.0146 -12.6367 17.0144 -13.2742 -16.4448 -12.6367 -16.4447 -24.4365 GPRESSAVG: 1365400 30.7438 19.6394 -12.461 15.814 -12.5117 -15.5901 -15.8921 -14.8305 -25.0367 TIMING: 1365400 CPU: 4071.88, 0.00300856/step Wall: 4071.88, 0.00300856/step, 3.03747 hours remaining, 206.714844 MB of memory in use. ENERGY: 1365400 729.1611 2109.8153 1948.7770 123.0807 -206070.6387 17691.2742 0.0000 0.0000 34144.3993 -149324.1312 298.1915 -183468.5304 -149223.7179 299.3641 -24.8905 7.8937 557975.1417 -2.3945 -2.2682 PRESSURE: 1365600 204.756 -199.352 7.75507 -199.352 -97.21 -111.245 7.75482 -111.246 -36.9078 GPRESSURE: 1365600 218.192 -178.529 46.8665 -157.53 -48.578 -53.5536 -2.22332 -186.101 -7.41015 PRESSAVG: 1365600 21.6601 -7.89187 -1.12763 -7.8918 -36.2498 -10.161 -1.12769 -10.1609 -28.5066 GPRESSAVG: 1365600 21.5358 -10.6587 -1.12709 -5.82846 -36.9768 -12.4259 -0.477126 -8.2465 -27.9265 TIMING: 1365600 CPU: 4072.48, 0.00300592/step Wall: 4072.48, 0.00300592/step, 3.03465 hours remaining, 206.714844 MB of memory in use. ENERGY: 1365600 741.8744 2036.4708 1936.3837 103.8996 -206225.2563 17709.0308 0.0000 0.0000 34242.8328 -149454.7643 299.0512 -183697.5971 -149362.9116 299.0262 23.5462 54.0681 557186.1204 -14.3654 -14.4558 PRESSURE: 1365800 33.3079 -154.338 -6.19723 -154.338 -220.906 -100.896 -6.19705 -100.896 -100.629 GPRESSURE: 1365800 78.6897 -80.7261 -25.3589 -195.825 -91.9526 -36.8517 -55.0141 -145.269 -172.689 PRESSAVG: 1365800 -28.7695 -37.0615 46.3214 -37.0615 0.0192242 1.62078 46.3213 1.62073 29.0601 GPRESSAVG: 1365800 -27.6417 -37.4232 44.019 -35.7379 -0.812278 1.69524 47.434 1.7018 28.7381 TIMING: 1365800 CPU: 4073.09, 0.00301451/step Wall: 4073.09, 0.00301451/step, 3.04314 hours remaining, 206.714844 MB of memory in use. ENERGY: 1365800 750.1848 2097.7189 1943.1691 105.9215 -206149.5390 17734.2005 0.0000 0.0000 34232.2099 -149286.1343 298.9584 -183518.3442 -149189.5738 298.5572 -96.0756 -61.9840 558764.4041 0.1033 0.0947 PRESSURE: 1366000 -34.3038 89.1426 47.1236 89.1432 -92.8233 -39.0235 47.1234 -39.0226 -320.228 GPRESSURE: 1366000 42.0429 59.3222 82.7324 112.828 -36.84 -63.1621 17.4701 -1.6631 -356.58 PRESSAVG: 1366000 -25.4309 -8.74958 15.8696 -8.7496 14.9285 -3.56446 15.8697 -3.56439 -39.6153 GPRESSAVG: 1366000 -27.4106 -7.56959 18.1049 -9.28765 16.1217 -2.93226 13.5796 -6.44598 -38.5758 TIMING: 1366000 CPU: 4073.69, 0.00301035/step Wall: 4073.69, 0.00301035/step, 3.03878 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1366000 747.9425 2101.3952 1934.1638 117.1460 -206143.2617 17685.0047 0.0000 0.0000 34166.1524 -149391.4570 298.3815 -183557.6094 -149297.8616 299.4950 -149.1183 -117.1257 559044.2180 -16.7059 -16.6215 PRESSURE: 1366200 -186.011 -57.7892 -48.251 -57.7898 -154.991 53.7202 -48.2523 53.7213 -103.48 GPRESSURE: 1366200 -240.292 -62.4095 -70.2063 -52.5342 -81.2872 120.824 -14.464 -20.0474 -28.4413 PRESSAVG: 1366200 53.8128 -50.7602 36.8292 -50.7601 7.78025 -4.19496 36.829 -4.19502 -84.2128 GPRESSAVG: 1366200 54.3858 -51.1993 36.1284 -52.0189 7.96724 -3.9433 36.8659 -4.97375 -84.7347 TIMING: 1366200 CPU: 4074.29, 0.00300389/step Wall: 4074.29, 0.00300389/step, 3.03209 hours remaining, 206.714844 MB of memory in use. ENERGY: 1366200 745.9751 2094.1159 1925.9138 105.6423 -206283.0371 17757.7333 0.0000 0.0000 34235.1206 -149418.5361 298.9838 -183653.6566 -149328.8343 298.4091 -148.1605 -116.6735 558217.9117 -7.5399 -7.4606 PRESSURE: 1366400 -131.74 51.8893 71.2361 51.8894 -122.288 75.0976 71.2364 75.0985 -249.722 GPRESSURE: 1366400 -94.6846 76.9672 -47.446 105.006 -77.8863 47.3516 84.8832 129.137 -233.79 PRESSAVG: 1366400 -17.1484 -59.7743 17.5094 -59.7743 7.483 -3.96773 17.5093 -3.96766 -3.21771 GPRESSAVG: 1366400 -16.4929 -58.8234 17.5351 -59.9711 7.23622 -3.4208 18.6598 -0.675004 -3.5034 TIMING: 1366400 CPU: 4074.89, 0.00301064/step Wall: 4074.89, 0.00301064/step, 3.03874 hours remaining, 206.714844 MB of memory in use. ENERGY: 1366400 764.0564 2040.7812 1944.1927 107.5543 -205871.3617 17697.2534 0.0000 0.0000 34037.0799 -149280.4438 297.2543 -183317.5238 -149188.9540 299.0635 -167.9165 -135.4536 558777.5404 -4.2944 -4.2534 PRESSURE: 1366600 23.2595 -37.773 -14.7852 -37.7719 39.9294 -30.5965 -14.7853 -30.5952 -203.272 GPRESSURE: 1366600 72.6981 -37.8445 -6.76954 -55.2044 74.638 82.6392 -22.7017 -74.8612 -199.034 PRESSAVG: 1366600 -9.75464 -57.6886 44.3643 -57.6886 -3.03948 45.2678 44.3643 45.2677 -6.27488 GPRESSAVG: 1366600 -9.14415 -58.3173 45.5184 -57.361 -3.46281 43.9969 43.6135 42.83 -6.25151 TIMING: 1366600 CPU: 4075.49, 0.00299617/step Wall: 4075.49, 0.00299617/step, 3.02397 hours remaining, 206.714844 MB of memory in use. ENERGY: 1366600 748.9404 2078.3936 1943.3493 130.4528 -206140.7503 17731.4161 0.0000 0.0000 34297.2735 -149210.9247 299.5266 -183508.1982 -149109.2133 298.9076 -46.6942 -17.2328 556205.0455 -6.3563 -6.2862 PRESSURE: 1366800 121.677 92.1706 70.4135 92.1706 83.3009 -68.2001 70.4134 -68.1981 -189.219 GPRESSURE: 1366800 152.298 21.6884 121.412 122.972 138.296 -109.279 -15.3314 -48.8113 -174.533 PRESSAVG: 1366800 -47.9106 -53.3232 -27.5876 -53.3233 71.4817 -86.5477 -27.5877 -86.5475 -36.4628 GPRESSAVG: 1366800 -48.8168 -53.3054 -27.3135 -52.8548 72.8918 -88.2959 -28.4468 -85.5806 -36.8277 TIMING: 1366800 CPU: 4076.09, 0.00298187/step Wall: 4076.09, 0.00298187/step, 3.00937 hours remaining, 206.714844 MB of memory in use. ENERGY: 1366800 723.3676 2053.5220 1910.2574 117.2539 -206104.3355 17824.3873 0.0000 0.0000 34228.3329 -149247.2145 298.9245 -183475.5474 -149150.2739 298.6464 5.2531 38.6868 556773.5171 -4.2973 -4.2509 PRESSURE: 1367000 35.8682 -86.2023 -73.801 -86.2021 -235.941 -44.2974 -73.7996 -44.297 224.63 GPRESSURE: 1367000 86.0342 -1.01496 -50.533 -101.698 -251.844 -68.0873 -135.785 -38.8883 282.389 PRESSAVG: 1367000 -63.3586 5.25581 -4.96823 5.25584 -41.3191 -2.27608 -4.96831 -2.27614 61.8244 GPRESSAVG: 1367000 -63.4534 4.87916 -5.60083 6.3014 -40.7646 -0.775511 -3.89877 -2.33848 61.6933 TIMING: 1367000 CPU: 4076.68, 0.00296951/step Wall: 4076.68, 0.00296951/step, 2.99673 hours remaining, 206.714844 MB of memory in use. ENERGY: 1367000 730.1880 2059.3240 1931.6936 107.7584 -206091.8965 17722.9403 0.0000 0.0000 34381.0042 -149158.9880 300.2579 -183539.9922 -149061.2623 298.8632 8.1859 38.8597 557450.1904 -14.2845 -14.1749 PRESSURE: 1367200 -70.4354 -30.4142 -68.1433 -30.4155 -88.4651 70.5618 -68.1425 70.5636 -120.606 GPRESSURE: 1367200 -25.9496 2.15949 -51.6978 0.589467 -44.9396 101.062 -54.2794 48.6839 -109.199 PRESSAVG: 1367200 6.2569 16.6968 -20.7813 16.6968 22.8976 -11.054 -20.7813 -11.054 -10.4863 GPRESSAVG: 1367200 5.81604 17.4951 -20.8785 16.4819 22.1887 -11.4314 -21.077 -10.1778 -9.92002 TIMING: 1367200 CPU: 4077.27, 0.00297203/step Wall: 4077.27, 0.00297203/step, 2.99911 hours remaining, 206.714844 MB of memory in use. ENERGY: 1367200 756.7518 1995.2835 1918.9526 118.5774 -205901.0156 17741.9194 0.0000 0.0000 34100.1577 -149269.3732 297.8052 -183369.5309 -149168.1381 298.9551 -93.1689 -60.0293 558427.4258 6.2227 6.0282 PRESSURE: 1367400 119.266 96.8836 -121.35 96.884 -135.754 -62.1913 -121.352 -62.1906 37.389 GPRESSURE: 1367400 107.237 167.068 -176.696 56.3161 -60.7432 -74.8588 -86.8505 -56.0387 64.1677 PRESSAVG: 1367400 34.9867 21.0921 4.9219 21.0921 -10.9864 35.4306 4.92185 35.4305 -3.25361 GPRESSAVG: 1367400 34.0259 19.8352 3.84559 20.4525 -10.0599 34.247 6.58007 34.9948 -2.71631 TIMING: 1367400 CPU: 4077.87, 0.00298522/step Wall: 4077.87, 0.00298522/step, 3.01225 hours remaining, 206.714844 MB of memory in use. ENERGY: 1367400 709.8384 2079.0260 1940.6406 106.0461 -206142.5966 17852.5639 0.0000 0.0000 34194.7593 -149259.7222 298.6313 -183454.4815 -149167.7836 298.2317 6.9672 36.8871 557152.4142 6.9156 7.0832 PRESSURE: 1367600 32.4162 -22.7524 -107.315 -22.7543 18.419 153.18 -107.314 153.182 137.233 GPRESSURE: 1367600 55.7368 -32.1084 -52.274 -35.7827 25.5312 144.247 -146.757 147.173 208.422 PRESSAVG: 1367600 5.34486 -2.03625 -23.9278 -2.03626 11.5534 -4.04955 -23.9279 -4.04944 28.4647 GPRESSAVG: 1367600 6.56534 -0.877995 -22.9487 -2.84044 11.6786 -3.30178 -24.337 -3.42535 27.3696 TIMING: 1367600 CPU: 4078.47, 0.00297297/step Wall: 4078.47, 0.00297297/step, 2.99973 hours remaining, 206.714844 MB of memory in use. ENERGY: 1367600 705.9189 2067.7423 1922.7365 104.8693 -206190.8374 17846.7411 0.0000 0.0000 34303.8263 -149239.0030 299.5838 -183542.8293 -149151.0240 299.2299 62.6895 96.5634 557722.3915 15.1210 15.2045 PRESSURE: 1367800 58.1421 -179.848 -236.799 -179.847 -67.8677 17.0827 -236.8 17.083 51.3234 GPRESSURE: 1367800 77.7724 -245.106 -208.373 -186.592 -30.6737 25.2933 -166.38 19.9076 83.662 PRESSAVG: 1367800 -27.6071 -63.9267 -41.3058 -63.9267 4.11553 59.2839 -41.3056 59.2839 -21.4378 GPRESSAVG: 1367800 -27.6692 -65.5119 -42.2972 -63.5518 3.76172 59.0593 -39.8034 58.065 -20.8576 TIMING: 1367800 CPU: 4079.06, 0.00298235/step Wall: 4079.06, 0.00298235/step, 3.00902 hours remaining, 206.714844 MB of memory in use. ENERGY: 1367800 705.1025 2101.2158 1913.2562 109.4796 -205930.8716 17748.5496 0.0000 0.0000 34272.5913 -149080.6766 299.3111 -183353.2678 -148991.9144 299.5274 13.8659 43.5869 557954.7122 -14.9765 -14.9217 PRESSURE: 1368000 -68.7689 -120.483 -74.9525 -120.482 -30.0313 -10.3764 -74.9526 -10.375 -79.5567 GPRESSURE: 1368000 -23.5785 -62.8417 -39.3724 -122.249 29.7476 -23.4954 -47.7279 -51.3484 -93.7867 PRESSAVG: 1368000 7.80699 -57.7049 -21.421 -57.7049 1.09254 -19.1178 -21.421 -19.1178 9.00486 GPRESSAVG: 1368000 8.062 -56.8798 -19.3655 -55.2731 1.62787 -19.1597 -22.3301 -17.0445 8.77695 TIMING: 1368000 CPU: 4079.66, 0.00298666/step Wall: 4079.66, 0.00298666/step, 3.0132 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1368000 739.2889 2104.7549 1922.8340 120.1879 -205732.9997 17622.2216 0.0000 0.0000 34078.8114 -149144.9011 297.6187 -183223.7125 -149049.4979 299.5268 -59.4523 -29.2058 557445.1811 5.9681 6.1556 PRESSURE: 1368200 -183.165 -150.734 -40.8427 -150.734 217.295 -27.6394 -40.8424 -27.6399 -44.3068 GPRESSURE: 1368200 -172.151 -125.955 -55.3262 -118.725 270.932 -145.172 -85.2408 10.7764 -15.2075 PRESSAVG: 1368200 88.2369 -41.1579 39.746 -41.158 -27.6472 -52.2198 39.7459 -52.2198 -53.7175 GPRESSAVG: 1368200 90.2725 -40.7859 39.1636 -43.5268 -29.1856 -51.0518 38.7832 -53.3624 -53.8065 TIMING: 1368200 CPU: 4080.26, 0.00299894/step Wall: 4080.26, 0.00299894/step, 3.02543 hours remaining, 206.714844 MB of memory in use. ENERGY: 1368200 756.4690 2081.0727 1930.9288 121.6022 -205848.6001 17779.0817 0.0000 0.0000 34111.7124 -149067.7333 297.9061 -183179.4457 -148972.5706 300.0382 -3.3920 27.8581 558231.6140 2.2907 2.4268 LDB: ============= START OF LOAD BALANCING ============== 4083.81 LDB: ============== END OF LOAD BALANCING =============== 4083.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4083.81 LDB: ============= START OF LOAD BALANCING ============== 4084.11 LDB: Largest compute 4796 load 0.025560 is 21.6% of average load 0.118231 LDB: Average compute 0.001721 is 1.5% of average load 0.118231 LDB: TIME 4084.11 LOAD: AVG 0.118231 MAX 0.212445 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 4084.11 LOAD: AVG 0.118231 MAX 0.212445 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.754 MB LDB: TIME 4084.11 LOAD: AVG 0.118231 MAX 0.212445 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.754 MB LDB: ============== END OF LOAD BALANCING =============== 4084.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4084.12 PRESSURE: 1368400 171.247 53.4865 -52.0437 53.4869 160.799 112.555 -52.0427 112.557 -10.0533 GPRESSURE: 1368400 181.122 69.2703 -65.7047 89.9411 202.311 78.3695 22.5867 154.069 21.4212 PRESSAVG: 1368400 59.8746 -43.6252 11.6058 -43.6252 -1.52278 28.7546 11.6058 28.7547 -71.6601 GPRESSAVG: 1368400 58.4824 -44.0108 8.47215 -43.0102 0.0662933 28.8042 13.927 30.642 -71.5696 TIMING: 1368400 CPU: 4080.87, 0.00305231/step Wall: 4080.87, 0.00305231/step, 3.0791 hours remaining, 207.996094 MB of memory in use. ENERGY: 1368400 732.1684 2079.9085 1924.7794 95.2807 -206369.7415 17823.2298 0.0000 0.0000 34388.7965 -149325.5782 300.3259 -183714.3746 -149230.0681 299.8657 107.3309 134.9515 556944.0361 -4.4361 -4.3403 PRESSURE: 1368600 88.3176 69.1045 -142.21 69.1036 18.6311 88.2388 -142.21 88.239 129.035 GPRESSURE: 1368600 46.4104 90.7429 -109.867 -47.3092 92.4675 44.3772 -183.319 131.496 196.376 PRESSAVG: 1368600 1.02328 -46.4532 -15.1749 -46.4532 16.0657 73.0009 -15.1749 73.0009 -31.4443 GPRESSAVG: 1368600 1.66339 -46.975 -13.8635 -47.9308 14.6147 72.5721 -15.8703 71.704 -30.1892 TIMING: 1368600 CPU: 4081.47, 0.00300205/step Wall: 4081.47, 0.00300205/step, 3.02823 hours remaining, 207.996094 MB of memory in use. ENERGY: 1368600 727.7643 2019.6269 1940.6093 105.1450 -206062.1218 17772.5285 0.0000 0.0000 34342.5144 -149153.9335 299.9217 -183496.4479 -149059.0604 299.3386 78.6613 111.7514 556980.8396 -4.7851 -4.6370 PRESSURE: 1368800 -92.0824 71.0336 28.7759 71.0337 -75.1439 -154.098 28.7763 -154.098 -50.751 GPRESSURE: 1368800 -5.69847 81.8924 97.8171 91.8218 -59.121 -64.8514 18.8917 -203.788 -76.6425 PRESSAVG: 1368800 13.598 29.9656 -37.1425 29.9656 -40.2891 -3.32471 -37.1425 -3.32463 64.151 GPRESSAVG: 1368800 14.1212 32.3377 -35.8219 31.097 -41.1093 -2.76072 -37.2581 -6.3352 64.142 TIMING: 1368800 CPU: 4082.07, 0.00300923/step Wall: 4082.07, 0.00300923/step, 3.03531 hours remaining, 207.996094 MB of memory in use. ENERGY: 1368800 757.6173 2010.7959 1906.2347 106.0574 -206167.7465 17698.4008 0.0000 0.0000 34495.1836 -149193.4569 301.2550 -183688.6405 -149102.7055 299.4201 -72.6591 -47.1540 557141.5654 12.4866 12.3846 PRESSURE: 1369000 -65.2063 -25.0498 -110.828 -25.0507 99.1723 33.8401 -110.828 33.8417 38.2609 GPRESSURE: 1369000 -72.0549 13.1065 -163.915 -79.8568 194.125 60.8238 60.2518 30.256 39.8773 PRESSAVG: 1369000 4.05799 -27.7737 -9.77308 -27.7737 -19.9139 27.5039 -9.77297 27.504 9.85941 GPRESSAVG: 1369000 1.50386 -29.9065 -8.94589 -27.868 -17.2665 26.7385 -10.2836 28.5447 9.33828 TIMING: 1369000 CPU: 4082.67, 0.0029786/step Wall: 4082.67, 0.0029786/step, 3.00424 hours remaining, 207.996094 MB of memory in use. ENERGY: 1369000 724.0679 2113.8592 1944.6989 113.9549 -206217.6063 17973.2458 0.0000 0.0000 34212.6011 -149135.1785 298.7872 -183347.7796 -149043.9505 299.2531 24.0756 53.9824 558036.8680 -1.9988 -2.1415 PRESSURE: 1369200 -15.1564 146.471 -75.6693 146.472 233.23 -103.406 -75.6679 -103.407 43.6766 GPRESSURE: 1369200 -14.3323 198.415 -141.413 66.0779 272.28 -172.19 -14.1464 -103.547 97.0699 PRESSAVG: 1369200 -5.37066 -39.5636 -7.12797 -39.5635 28.4268 35.0995 -7.12791 35.0995 -7.71082 GPRESSAVG: 1369200 -4.76924 -36.844 -10.3594 -41.7024 26.6462 36.0623 -4.25885 34.2924 -6.7153 TIMING: 1369200 CPU: 4083.27, 0.00300243/step Wall: 4083.27, 0.00300243/step, 3.02812 hours remaining, 207.996094 MB of memory in use. ENERGY: 1369200 770.2176 2049.7320 1929.6775 117.6277 -206007.5370 17923.3896 0.0000 0.0000 34176.6279 -149040.2648 298.4730 -183216.8927 -148945.2859 299.4683 87.2501 118.3391 558916.1726 5.1151 5.0539 PRESSURE: 1369400 -188.791 3.91586 134.212 3.91736 -73.2214 -21.7517 134.211 -21.7509 -393.188 GPRESSURE: 1369400 -176.78 -6.3912 71.6325 -1.17687 -34.9229 -73.0438 98.949 70.2819 -343.119 PRESSAVG: 1369400 -9.74223 -23.186 11.3222 -23.186 -13.1367 32.2265 11.3222 32.2263 30.6121 GPRESSAVG: 1369400 -7.99849 -25.1118 13.6582 -22.2298 -13.1223 29.2781 8.77031 33.223 29.2448 TIMING: 1369400 CPU: 4083.87, 0.00300411/step Wall: 4083.87, 0.00300411/step, 3.02965 hours remaining, 207.996094 MB of memory in use. ENERGY: 1369400 748.9972 2064.8980 1888.9698 112.4370 -205681.3103 17517.3100 0.0000 0.0000 34296.2980 -149052.4003 299.5181 -183348.6983 -148958.4200 300.3081 -218.4001 -184.9405 557798.0120 2.5777 2.7080 PRESSURE: 1369600 171.329 -100.663 -46.4763 -100.662 -111.209 -134.443 -46.4756 -134.442 302.45 GPRESSURE: 1369600 208.6 -145.044 -79.0301 -104.381 -66.8641 -211.851 50.5569 -84.4525 318.552 PRESSAVG: 1369600 52.1745 -23.6161 -3.12788 -23.6161 3.8086 49.5159 -3.12782 49.5161 -80.5029 GPRESSAVG: 1369600 50.9197 -22.1116 -4.138 -24.1128 5.05463 48.6527 -1.86235 51.0241 -80.195 TIMING: 1369600 CPU: 4084.47, 0.00299329/step Wall: 4084.47, 0.00299329/step, 3.01857 hours remaining, 207.996094 MB of memory in use. ENERGY: 1369600 748.8723 2061.8895 1925.2367 111.0739 -206252.9977 17893.8911 0.0000 0.0000 34492.7414 -149019.2928 301.2337 -183512.0342 -148928.4437 299.9054 120.8565 153.4291 558460.8953 -8.1732 -8.0736 PRESSURE: 1369800 301.459 -226.142 73.1021 -226.141 70.203 11.3274 73.1021 11.3271 236.715 GPRESSURE: 1369800 333.621 -194.142 98.7768 -172.01 146.6 12.8277 53.6043 -14.1501 236.621 PRESSAVG: 1369800 36.245 -21.5201 45.6355 -21.52 7.36602 -14.4936 45.6356 -14.4935 -23.23 GPRESSAVG: 1369800 36.5964 -22.0257 48.7797 -19.4734 6.13178 -10.8665 44.5669 -16.0097 -22.5869 TIMING: 1369800 CPU: 4085.07, 0.00301609/step Wall: 4085.07, 0.00301609/step, 3.04139 hours remaining, 207.996094 MB of memory in use. ENERGY: 1369800 716.7250 2109.5580 1915.3982 106.8975 -206413.0029 18137.8703 0.0000 0.0000 34343.3748 -149083.1790 299.9292 -183426.5538 -148993.6298 299.8482 202.7923 238.9477 557757.7743 6.7937 6.7138 PRESSURE: 1370000 -124.14 123.542 37.2367 123.543 -243.53 14.0331 37.2356 14.0342 36.7624 GPRESSURE: 1370000 -82.2156 173.272 47.4806 94.9307 -223.57 49.9915 77.3144 -51.411 74.7782 PRESSAVG: 1370000 -10.6886 -21.041 -7.60076 -21.041 -13.5214 -7.97796 -7.60082 -7.97798 -4.23021 GPRESSAVG: 1370000 -10.9744 -22.1254 -10.4339 -22.7634 -13.215 -9.11907 -7.55454 -7.84006 -4.64527 TIMING: 1370000 CPU: 4085.67, 0.00299987/step Wall: 4085.67, 0.00299987/step, 3.02487 hours remaining, 207.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1370000 746.0670 2082.1760 1927.0322 108.7529 -206108.8251 17751.6691 0.0000 0.0000 34325.9510 -149167.1768 299.7771 -183493.1278 -149070.9573 299.8876 -110.3027 -77.0025 558725.9400 -9.4801 -9.6116 PRESSURE: 1370200 35.0939 108.748 221.099 108.748 71.2859 -118.417 221.099 -118.416 -36.497 GPRESSURE: 1370200 80.9991 70.1452 110.346 158.969 91.7775 -39.9785 262.083 -121.625 -7.00522 PRESSAVG: 1370200 46.2888 -51.5316 15.4239 -51.5316 -29.0778 -11.1926 15.4239 -11.1925 5.76779 GPRESSAVG: 1370200 46.1201 -49.7614 16.1526 -52.3577 -29.7891 -11.3698 15.6083 -9.80126 6.34531 TIMING: 1370200 CPU: 4086.27, 0.00298525/step Wall: 4086.27, 0.00298525/step, 3.00996 hours remaining, 207.996094 MB of memory in use. ENERGY: 1370200 750.5384 2133.1905 1926.4233 106.0334 -206080.2635 17876.7089 0.0000 0.0000 34280.0859 -149007.2831 299.3765 -183287.3690 -148911.3670 300.2891 23.2943 55.2571 557794.0622 7.6596 7.5588 PRESSURE: 1370400 -43.2734 -273.238 -65.4295 -273.237 119.813 131.537 -65.4302 131.539 -161.904 GPRESSURE: 1370400 -66.086 -221.495 -92.7486 -293.285 188.089 19.9854 39.5389 123.139 -114.027 PRESSAVG: 1370400 -8.22087 -24.753 -17.8662 -24.7529 57.8682 1.41923 -17.8661 1.41921 -38.3222 GPRESSAVG: 1370400 -7.81833 -27.625 -18.1191 -22.5838 58.4133 1.79691 -17.6345 0.165757 -39.4904 TIMING: 1370400 CPU: 4086.86, 0.00297497/step Wall: 4086.86, 0.00297497/step, 2.99943 hours remaining, 207.996094 MB of memory in use. ENERGY: 1370400 708.0669 2075.9960 1940.0322 103.6715 -206064.8401 17786.6968 0.0000 0.0000 34364.0963 -149086.2805 300.1102 -183450.3768 -148991.7099 299.2509 -28.4548 2.6588 559758.5894 3.7750 3.7015 PRESSURE: 1370600 51.2576 -17.2781 59.4168 -17.28 -70.9458 40.6519 59.4156 40.6518 74.0623 GPRESSURE: 1370600 91.0207 -26.1881 12.2296 40.6143 -6.83368 112.522 38.7094 -111.297 64.3313 PRESSAVG: 1370600 -29.4173 -12.3576 -51.2223 -12.3576 11.588 45.8106 -51.2223 45.8105 -0.432338 GPRESSAVG: 1370600 -28.6815 -11.9994 -51.3195 -12.1437 10.4292 44.9452 -51.0229 47.3011 -0.336882 TIMING: 1370600 CPU: 4087.46, 0.0029831/step Wall: 4087.46, 0.00298309/step, 3.00746 hours remaining, 207.996094 MB of memory in use. ENERGY: 1370600 747.8349 2022.6809 1914.5107 115.0373 -206255.7258 17936.5945 0.0000 0.0000 34081.3220 -149437.7455 297.6407 -183519.0676 -149343.5103 298.7852 18.1247 49.5061 558236.2281 -6.0872 -6.1964 PRESSURE: 1370800 -216.702 35.4228 -44.1421 35.4219 -42.4635 61.8515 -44.1432 61.8513 -187.129 GPRESSURE: 1370800 -183.863 -12.3624 14.4789 64.9176 -18.6209 81.9035 -115.023 -40.2614 -135.954 PRESSAVG: 1370800 17.5576 31.5306 9.13435 31.5306 14.4863 5.41839 9.13438 5.4184 39.4158 GPRESSAVG: 1370800 16.1101 30.7208 10.8511 31.3497 15.7035 4.98789 9.32428 6.5595 39.7301 TIMING: 1370800 CPU: 4088.06, 0.00300329/step Wall: 4088.06, 0.00300329/step, 3.02765 hours remaining, 207.996094 MB of memory in use. ENERGY: 1370800 718.4576 2072.4761 1970.1552 124.7627 -206066.6452 17550.2492 0.0000 0.0000 34360.6231 -149269.9213 300.0799 -183630.5444 -149168.1646 299.1525 -148.7650 -112.8127 558227.4345 23.8199 23.8479 PRESSURE: 1371000 211.1 -8.84569 -18.802 -8.84431 163.467 -61.5318 -18.8019 -61.5323 346.852 GPRESSURE: 1371000 277.297 -42.2036 -22.4667 70.0162 167.358 -110.351 -36.4322 -63.4541 368.273 PRESSAVG: 1371000 20.2316 41.2091 5.11298 41.2091 -6.48324 -34.1309 5.113 -34.131 -30.8677 GPRESSAVG: 1371000 19.9778 42.5326 5.63812 40.8079 -7.12615 -34.8738 3.50273 -35.1811 -30.6581 TIMING: 1371000 CPU: 4088.66, 0.00300334/step Wall: 4088.66, 0.00300334/step, 3.02753 hours remaining, 207.996094 MB of memory in use. ENERGY: 1371000 729.9709 2076.6912 1921.3566 105.1439 -206572.2446 18078.9758 0.0000 0.0000 34476.0839 -149184.0224 301.0882 -183660.1063 -149087.1585 299.3046 240.4731 270.9760 558269.2158 -5.7065 -5.9355 PRESSURE: 1371200 -97.6293 129.121 94.8943 129.121 93.7631 20.9801 94.8941 20.9793 -102.092 GPRESSURE: 1371200 -65.6846 135.851 72.3894 139.826 72.285 32.172 120.465 49.9917 -13.6644 PRESSAVG: 1371200 -57.7839 46.1232 -0.146287 46.1232 25.599 16.5209 -0.146261 16.521 69.4398 GPRESSAVG: 1371200 -57.5041 48.0282 -1.82594 44.7584 26.2113 18.1215 1.508 17.2985 68.662 TIMING: 1371200 CPU: 4089.26, 0.00299487/step Wall: 4089.26, 0.00299487/step, 3.01883 hours remaining, 207.996094 MB of memory in use. ENERGY: 1371200 734.8350 2087.8484 1944.1568 116.4766 -205749.4772 17699.3910 0.0000 0.0000 34164.6753 -149002.0942 298.3686 -183166.7694 -148908.6512 299.5461 -35.3193 -2.3547 559210.6288 12.4183 12.4564 PRESSURE: 1371400 -143.013 -114.292 183.943 -114.293 -175.493 -62.4267 183.942 -62.4267 60.7099 GPRESSURE: 1371400 -123.134 -71.4445 196.954 -49.8155 -150.62 -65.8715 113.083 -51.5428 111.431 PRESSAVG: 1371400 -28.4365 -8.87036 42.3312 -8.87035 34.566 -14.064 42.3311 -14.0641 -0.199001 GPRESSAVG: 1371400 -29.0177 -8.62964 43.7588 -7.39856 34.0204 -14.6902 42.8665 -15.2622 0.792526 TIMING: 1371400 CPU: 4089.86, 0.00298092/step Wall: 4089.86, 0.00298092/step, 3.0046 hours remaining, 207.996094 MB of memory in use. ENERGY: 1371400 760.8477 2082.1483 1937.7170 119.0535 -205950.1721 17732.3057 0.0000 0.0000 34350.8607 -148967.2392 299.9946 -183318.0998 -148876.0981 300.1988 -85.9321 -54.1079 558834.4664 1.9768 1.9317 PRESSURE: 1371600 32.2571 12.8937 182.786 12.8933 1.891 -34.2254 182.785 -34.2258 95.6332 GPRESSURE: 1371600 44.3402 -6.31049 179.462 -2.68879 30.6967 -72.4766 188.882 -67.5757 173.068 PRESSAVG: 1371600 3.86699 63.1242 79.7514 63.1242 -7.59135 1.36538 79.7514 1.36545 16.8185 GPRESSAVG: 1371600 6.12357 61.8628 81.0883 63.1963 -9.29848 1.46923 78.5874 2.75671 16.0072 TIMING: 1371600 CPU: 4090.46, 0.0030051/step Wall: 4090.46, 0.0030051/step, 3.0288 hours remaining, 207.996094 MB of memory in use. ENERGY: 1371600 740.4892 2064.9162 1912.6862 112.0644 -206098.1372 17844.7022 0.0000 0.0000 34277.6367 -149145.6423 299.3551 -183423.2791 -149047.8060 299.8100 43.2604 82.7018 556110.4374 4.3647 4.2774 PRESSURE: 1371800 -302.429 -52.5382 -43.3279 -52.5385 -281.614 132.016 -43.3282 132.015 -262.149 GPRESSURE: 1371800 -274.595 -83.851 -51.4904 -103.161 -290.31 68.1512 37.2036 180.076 -185.057 PRESSAVG: 1371800 21.1776 -11.8771 41.7047 -11.8771 7.67395 -6.39565 41.7047 -6.39559 -24.7421 GPRESSAVG: 1371800 18.4421 -12.8105 38.2783 -11.974 9.77587 -4.77527 41.9557 -6.96473 -24.4012 TIMING: 1371800 CPU: 4091.06, 0.00300198/step Wall: 4091.06, 0.00300198/step, 3.02549 hours remaining, 207.996094 MB of memory in use. ENERGY: 1371800 749.2208 2081.5792 1929.7333 110.5945 -206027.0279 17506.4068 0.0000 0.0000 34544.2199 -149105.2734 301.6833 -183649.4933 -149009.9894 299.4602 -282.0641 -249.9872 557597.5305 1.3698 1.2722 PRESSURE: 1372000 -155.571 -10.1318 -147.913 -10.1315 -100.948 -237.962 -147.913 -237.964 -73.4718 GPRESSURE: 1372000 -142.368 -60.916 -77.5968 -16.4015 -76.8344 -279.94 -174.444 -171.697 -21.4252 PRESSAVG: 1372000 -39.6672 5.62916 12.3576 5.6291 58.193 -1.47534 12.3576 -1.47534 24.6013 GPRESSAVG: 1372000 -38.8114 6.54986 13.4582 5.03734 56.9831 -2.50229 12.8264 -3.51186 24.294 TIMING: 1372000 CPU: 4091.65, 0.00297378/step Wall: 4091.65, 0.00297378/step, 2.99691 hours remaining, 207.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1372000 743.0988 2090.5624 1947.4147 124.0230 -205755.3701 17446.6452 0.0000 0.0000 34300.8655 -149102.7606 299.5580 -183403.6261 -149001.0394 298.9837 -109.9968 -80.2094 558122.4684 14.3757 14.1553 PRESSURE: 1372200 -39.2679 -1.31983 -1.87725 -1.32027 -36.9679 -117.526 -1.87807 -117.525 -47.6654 GPRESSURE: 1372200 0.186102 -47.1571 -49.3363 57.5767 -30.9281 -223.633 90.7526 -69.7969 -8.25552 PRESSAVG: 1372200 43.5904 34.2632 -33.8981 34.2632 11.1208 -13.4856 -33.8979 -13.4857 -49.9257 GPRESSAVG: 1372200 43.1953 33.1465 -35.2195 35.9137 10.1604 -13.773 -33.5247 -12.425 -49.4517 TIMING: 1372200 CPU: 4092.25, 0.00298536/step Wall: 4092.25, 0.00298536/step, 3.00842 hours remaining, 207.996094 MB of memory in use. ENERGY: 1372200 718.3536 2175.9527 1942.5024 125.5393 -205673.2021 17527.8769 0.0000 0.0000 34113.9700 -149069.0073 297.9258 -183182.9773 -148971.7905 299.7780 -41.3004 -12.9992 558544.8857 1.5951 1.3014 LDB: ============= START OF LOAD BALANCING ============== 4095.8 LDB: ============== END OF LOAD BALANCING =============== 4095.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4095.8 LDB: ============= START OF LOAD BALANCING ============== 4096.1 LDB: Largest compute 4796 load 0.025856 is 21.9% of average load 0.118218 LDB: Average compute 0.001721 is 1.5% of average load 0.118218 LDB: TIME 4096.11 LOAD: AVG 0.118218 MAX 0.212039 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.547 MB LDB: TIME 4096.11 LOAD: AVG 0.118218 MAX 0.212039 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.551 MB LDB: TIME 4096.11 LOAD: AVG 0.118218 MAX 0.212039 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.551 MB LDB: ============== END OF LOAD BALANCING =============== 4096.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4096.11 PRESSURE: 1372400 -7.45381 105.24 12.5202 105.241 -47.9355 -97.1284 12.5199 -97.1296 -26.2813 GPRESSURE: 1372400 4.69342 35.3276 -61.001 96.5243 18.1791 -60.0149 -29.1342 -70.7764 -5.84585 PRESSAVG: 1372400 28.693 27.8568 12.5461 27.8568 24.8625 -1.08704 12.5461 -1.08707 -78.4041 GPRESSAVG: 1372400 28.9691 28.8816 14.075 26.8021 25.6597 0.217503 11.927 -2.30261 -79.4314 TIMING: 1372400 CPU: 4092.86, 0.0030614/step Wall: 4092.86, 0.0030614/step, 3.08487 hours remaining, 206.714844 MB of memory in use. ENERGY: 1372400 764.6460 2092.8949 1924.6667 109.7318 -206153.7557 17752.5022 0.0000 0.0000 34264.7660 -149244.5482 299.2427 -183509.3142 -149139.8838 298.9918 -27.2235 5.6756 557955.4738 -8.2829 -8.2675 PRESSURE: 1372600 130.426 13.6862 186.164 13.6854 130.24 141.351 186.165 141.35 -230.108 GPRESSURE: 1372600 194.688 47.3551 191.724 -71.8516 149.865 117.301 204.631 203.017 -231.27 PRESSAVG: 1372600 73.5779 -17.9644 38.1395 -17.9644 52.3803 -4.51733 38.1395 -4.5173 -68.8475 GPRESSAVG: 1372600 72.7665 -18.3729 37.0993 -18.176 51.6672 -6.45492 39.6422 -2.37243 -67.2772 TIMING: 1372600 CPU: 4093.46, 0.00298167/step Wall: 4093.46, 0.00298167/step, 3.00436 hours remaining, 206.914062 MB of memory in use. ENERGY: 1372600 762.8604 2097.2945 1928.8293 108.2832 -206521.3007 18021.9786 0.0000 0.0000 34206.7659 -149395.2889 298.7362 -183602.0548 -149293.5539 299.0250 10.1858 37.7611 557549.6872 19.0369 19.0522 PRESSURE: 1372800 327.717 51.124 -7.3342 51.1241 115.901 -3.60148 -7.33238 -3.60239 103.548 GPRESSURE: 1372800 284.361 -40.4642 -29.9664 120.75 178.94 -3.0404 -2.75337 -5.59428 175.891 PRESSAVG: 1372800 34.3636 -37.8922 35.7828 -37.8921 63.0031 -10.6676 35.7828 -10.6677 -18.0236 GPRESSAVG: 1372800 34.9444 -37.5007 36.6423 -38.0667 64.3976 -8.61745 34.9279 -11.7128 -19.706 TIMING: 1372800 CPU: 4094.06, 0.00299349/step Wall: 4094.06, 0.00299349/step, 3.01611 hours remaining, 206.914062 MB of memory in use. ENERGY: 1372800 757.0456 2101.7387 1904.1853 108.0711 -206719.5077 18177.5389 0.0000 0.0000 34219.6182 -149451.3098 298.8484 -183670.9280 -149355.2990 298.7838 182.3884 213.0641 558113.4437 26.4477 26.5453 PRESSURE: 1373000 -172.935 -17.494 99.2415 -17.4945 -23.9382 -139.098 99.2413 -139.098 -289.029 GPRESSURE: 1373000 -128.193 18.4744 44.5032 -35.5735 -34.0553 -155.298 95.4428 -178.705 -223.563 PRESSAVG: 1373000 -4.46903 -11.8946 30.6588 -11.8945 19.7657 -20.8601 30.6588 -20.8601 -28.9512 GPRESSAVG: 1373000 -3.31666 -11.1326 30.7435 -11.2287 18.7655 -21.1327 29.7922 -21.2985 -29.1644 TIMING: 1373000 CPU: 4094.65, 0.00297976/step Wall: 4094.65, 0.00297976/step, 3.00211 hours remaining, 206.914062 MB of memory in use. ENERGY: 1373000 746.3677 2077.0131 1908.6160 125.9118 -206279.1813 17664.7667 0.0000 0.0000 34315.4491 -149441.0568 299.6854 -183756.5059 -149338.1473 299.3502 -161.9673 -128.6037 558083.9659 -4.5515 -4.5718 PRESSURE: 1373200 -13.0825 -128.582 -115.817 -128.581 -349.209 -130.235 -115.817 -130.235 59.8554 GPRESSURE: 1373200 11.2617 -95.0042 -120.475 -175.724 -246.407 -147.859 -77.1683 -151.337 26.7233 PRESSAVG: 1373200 -30.2009 56.2711 -7.84848 56.2711 37.1163 -36.1876 -7.84851 -36.1877 -17.4212 GPRESSAVG: 1373200 -30.8561 56.0558 -7.15159 56.1511 37.4104 -36.829 -8.28841 -35.8258 -17.0289 TIMING: 1373200 CPU: 4095.25, 0.00297845/step Wall: 4095.25, 0.00297845/step, 3.00062 hours remaining, 206.914062 MB of memory in use. ENERGY: 1373200 766.1876 2120.6743 1921.8732 103.2029 -206279.5630 17830.7436 0.0000 0.0000 34085.2743 -149451.6072 297.6752 -183536.8815 -149357.7796 298.9339 -100.8119 -69.4741 556442.0267 -3.5019 -3.4915 PRESSURE: 1373400 253.566 -70.4188 -96.7703 -70.4196 -199.6 56.7246 -96.7701 56.7243 71.1528 GPRESSURE: 1373400 262.636 -83.3641 -7.35541 48.0793 -156.65 64.4411 1.19734 73.2816 113.046 PRESSAVG: 1373400 5.17313 -21.9614 45.5208 -21.9614 45.0257 -3.97404 45.5209 -3.97408 -50.3418 GPRESSAVG: 1373400 4.36163 -22.069 44.6122 -23.0091 44.8437 -5.40639 46.2835 -2.7334 -49.722 TIMING: 1373400 CPU: 4095.85, 0.00298804/step Wall: 4095.85, 0.00298804/step, 3.01011 hours remaining, 206.914062 MB of memory in use. ENERGY: 1373400 756.1901 2070.3773 1920.1831 106.2438 -206355.3626 17776.1232 0.0000 0.0000 34200.4119 -149525.8333 298.6807 -183726.2452 -149437.3008 298.7689 41.7064 73.0107 555032.4278 -0.0477 -0.1722 PRESSURE: 1373600 -126.952 78.2803 -16.0977 78.2802 -9.25643 82.3212 -16.0979 82.322 -194.207 GPRESSURE: 1373600 -87.6754 38.4815 -61.5501 11.9197 21.8283 35.9179 44.5985 55.9608 -153.065 PRESSAVG: 1373600 38.2319 63.9552 -7.64834 63.9552 38.4358 12.9996 -7.64839 12.9997 -52.014 GPRESSAVG: 1373600 37.5291 62.729 -8.87569 64.7812 39.0123 14.6434 -7.44234 11.4438 -51.7922 TIMING: 1373600 CPU: 4096.45, 0.00299669/step Wall: 4096.45, 0.00299669/step, 3.01867 hours remaining, 206.914062 MB of memory in use. ENERGY: 1373600 715.4578 2064.2812 1916.2366 106.8118 -205937.1527 17570.7510 0.0000 0.0000 33972.9655 -149590.6489 296.6944 -183563.6143 -149492.4417 297.6852 -110.1386 -72.9708 557206.5997 8.2179 8.2497 PRESSURE: 1373800 -53.9506 185.677 -63.8793 185.677 -117.25 -15.2605 -63.8794 -15.2599 206.236 GPRESSURE: 1373800 -14.0603 119.359 -24.1726 113.482 -86.2719 -58.1788 -42.2757 3.76487 236.487 PRESSAVG: 1373800 -8.25553 65.1609 19.6004 65.1608 -36.6725 -1.44968 19.6004 -1.44969 44.0033 GPRESSAVG: 1373800 -8.06025 65.3283 20.5996 63.7962 -37.1669 -2.57461 19.7086 0.0718811 43.9987 TIMING: 1373800 CPU: 4097.04, 0.00298576/step Wall: 4097.04, 0.00298576/step, 3.00749 hours remaining, 206.914062 MB of memory in use. ENERGY: 1373800 733.5846 2065.7359 1926.9843 123.8467 -206668.6489 18072.1945 0.0000 0.0000 33999.3796 -149746.9233 296.9250 -183746.3029 -149651.6389 297.9636 11.6782 45.3848 558257.8970 -0.3082 -0.4095 PRESSURE: 1374000 58.4487 218.525 -60.4239 218.524 20.179 138.846 -60.4247 138.846 -17.1197 GPRESSURE: 1374000 99.6862 180.588 -93.2966 263.497 57.5237 61.7515 -38.6442 191.528 10.7861 PRESSAVG: 1374000 -8.44859 65.2972 -39.2859 65.2971 -5.51288 16.2833 -39.2859 16.2832 15.0569 GPRESSAVG: 1374000 -8.55546 67.9104 -39.7059 64.8671 -4.92661 17.4132 -37.5558 14.6519 14.7041 TIMING: 1374000 CPU: 4097.64, 0.00297742/step Wall: 4097.64, 0.00297742/step, 2.99892 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1374000 777.2759 1998.1024 1905.2904 116.7062 -206877.1341 18250.9436 0.0000 0.0000 34023.0959 -149805.7197 297.1322 -183828.8157 -149716.7505 297.1908 20.5027 55.9987 558045.5636 0.3651 0.4073 PRESSURE: 1374200 212.417 -41.7344 129.58 -41.7353 179.695 -107.231 129.579 -107.232 223.454 GPRESSURE: 1374200 282.647 -93.2591 79.7033 35.132 185.456 -115.412 129.709 -78.7468 239.585 PRESSAVG: 1374200 5.41991 -7.2134 23.7701 -7.21331 48.2195 -27.1294 23.7701 -27.1294 -25.9002 GPRESSAVG: 1374200 6.44799 -6.97281 23.9549 -5.31041 46.703 -28.4759 21.9983 -24.6656 -25.6928 TIMING: 1374200 CPU: 4098.23, 0.00296056/step Wall: 4098.23, 0.00296056/step, 2.98178 hours remaining, 206.914062 MB of memory in use. ENERGY: 1374200 735.4412 2015.3503 1918.4399 117.1040 -206918.9957 18233.2320 0.0000 0.0000 34130.9208 -149768.5076 298.0738 -183899.4283 -149670.8302 298.1432 205.1887 235.8962 557247.7405 9.2464 9.1527 PRESSURE: 1374400 -24.8237 -64.3786 -77.3588 -64.3783 -17.3463 -164.543 -77.3588 -164.542 -297.988 GPRESSURE: 1374400 0.0310242 -71.9961 -40.0108 -84.2433 18.1106 -135.033 -89.2152 -165.125 -272.548 PRESSAVG: 1374400 73.2023 -26.1196 -45.3732 -26.1196 -42.1618 -41.7419 -45.3732 -41.7419 -16.5724 GPRESSAVG: 1374400 72.13 -25.9669 -43.1986 -27.3027 -41.6365 -40.4684 -45.876 -42.8879 -16.274 TIMING: 1374400 CPU: 4098.83, 0.0029991/step Wall: 4098.83, 0.0029991/step, 3.02042 hours remaining, 206.914062 MB of memory in use. ENERGY: 1374400 729.8317 2061.9664 1926.8557 120.9983 -206195.8496 17715.4480 0.0000 0.0000 34084.8477 -149555.9019 297.6715 -183640.7495 -149451.2927 298.2739 -113.3860 -84.8020 559122.8050 4.8227 4.7398 PRESSURE: 1374600 270.891 -119.721 155.891 -119.72 148.311 -43.2641 155.89 -43.2648 -174.454 GPRESSURE: 1374600 264.237 -59.9003 141.309 -103.051 212.93 -24.5219 187.109 17.8659 -123.592 PRESSAVG: 1374600 41.5348 -21.0779 -37.8934 -21.0779 -6.62521 21.1881 -37.8935 21.1879 -13.3878 GPRESSAVG: 1374600 42.5963 -22.6013 -39.2703 -20.4176 -6.97315 21.4129 -39.6427 20.5119 -14.04 TIMING: 1374600 CPU: 4099.44, 0.00302931/step Wall: 4099.44, 0.00302931/step, 3.05068 hours remaining, 206.914062 MB of memory in use. ENERGY: 1374600 740.2334 2123.5681 1942.1661 98.8107 -206666.6639 18108.1761 0.0000 0.0000 33917.3825 -149736.3269 296.2089 -183653.7094 -149645.0230 297.4765 81.5827 117.8584 558066.5860 7.1739 7.1944 PRESSURE: 1374800 -96.3169 182.991 13.9334 182.993 166.326 -239.527 13.9332 -239.527 113.589 GPRESSURE: 1374800 -31.2749 242.146 60.9519 186.364 156.107 -214.903 7.77259 -173.35 163.429 PRESSAVG: 1374800 31.723 -18.647 59.7843 -18.647 -18.7321 -41.0885 59.7844 -41.0884 -35.6666 GPRESSAVG: 1374800 32.5471 -18.4814 58.387 -20.1461 -20.6818 -40.6822 62.2826 -41.5027 -35.3124 TIMING: 1374800 CPU: 4100.04, 0.00301145/step Wall: 4100.04, 0.00301145/step, 3.03253 hours remaining, 206.914062 MB of memory in use. ENERGY: 1374800 753.2853 2077.2875 1923.7740 115.9203 -206787.5034 18017.4012 0.0000 0.0000 34033.8684 -149865.9667 297.2262 -183899.8351 -149774.7125 297.3656 61.1996 96.0870 557411.2755 -7.5586 -7.8157 PRESSURE: 1375000 -184.953 -80.5743 -8.18903 -80.5747 131.096 -22.1191 -8.18956 -22.119 -65.4135 GPRESSURE: 1375000 -96.305 -131.839 53.3119 -62.2884 160.809 66.3778 -86.5089 -80.1714 -84.8694 PRESSAVG: 1375000 -59.693 56.5943 -6.03715 56.5943 -2.27738 -39.362 -6.03712 -39.362 84.1233 GPRESSAVG: 1375000 -60.6519 57.0232 -3.49806 58.9359 -1.3309 -40.0127 -7.72925 -40.5619 83.9064 TIMING: 1375000 CPU: 4100.64, 0.00299013/step Wall: 4100.64, 0.00299013/step, 3.0109 hours remaining, 206.914062 MB of memory in use. ENERGY: 1375000 712.7488 2057.9008 1928.6744 116.0292 -206301.6334 17773.8670 0.0000 0.0000 33932.4466 -149779.9666 296.3405 -183712.4132 -149680.8807 297.5461 -39.7567 -6.7885 558232.9078 7.3843 7.3079 PRESSURE: 1375200 -141.23 -7.10217 -102.12 -7.10204 -51.6969 -205.86 -102.12 -205.86 -24.5662 GPRESSURE: 1375200 -108.216 44.1828 -140.855 -11.3076 -21.4437 -236.068 -161.755 -116.305 6.09663 PRESSAVG: 1375200 -42.6806 51.4492 -3.29755 51.4493 9.37496 -37.6377 -3.29752 -37.6377 47.6971 GPRESSAVG: 1375200 -42.5414 51.297 -3.72917 50.9767 10.6656 -37.6607 -1.90685 -37.0155 46.3207 TIMING: 1375200 CPU: 4101.23, 0.00297824/step Wall: 4101.23, 0.00297824/step, 2.99876 hours remaining, 206.914062 MB of memory in use. ENERGY: 1375200 748.5217 2040.2309 1927.6756 112.9939 -206566.3020 17849.9598 0.0000 0.0000 34044.7127 -149842.2074 297.3209 -183886.9200 -149747.9356 298.0686 -72.4977 -41.1877 558004.9188 4.7972 4.8150 PRESSURE: 1375400 39.1417 0.110336 -4.92539 0.110746 -26.7082 -25.7923 -4.92648 -25.7946 74.5456 GPRESSURE: 1375400 51.1112 -39.7469 -63.3654 -22.0963 77.9005 27.7555 0.174603 -44.0333 65.8671 PRESSAVG: 1375400 -29.4282 24.1899 32.1237 24.1901 3.9958 -8.3381 32.1238 -8.33811 -7.7599 GPRESSAVG: 1375400 -29.0447 22.6357 33.1729 24.0648 3.67992 -6.18967 31.354 -7.35649 -7.6977 TIMING: 1375400 CPU: 4101.83, 0.00297736/step Wall: 4101.83, 0.00297736/step, 2.9977 hours remaining, 206.914062 MB of memory in use. ENERGY: 1375400 733.3272 2099.7382 1908.2440 121.3282 -206753.9913 18039.4020 0.0000 0.0000 34077.4969 -149774.4547 297.6073 -183851.9516 -149686.3000 298.0273 28.9930 64.9596 557812.0649 -11.0641 -11.0208 PRESSURE: 1375600 -154.481 20.5757 -48.7019 20.576 -339.348 82.003 -48.702 82.004 46.2118 GPRESSURE: 1375600 -117.525 17.3933 -58.1636 18.6803 -266.26 86.6956 -5.6599 57.1725 37.1864 PRESSAVG: 1375600 71.9635 5.86726 -0.546885 5.86729 -68.4428 -49.633 -0.54697 -49.633 4.212 GPRESSAVG: 1375600 70.8238 8.71035 -2.50695 5.19759 -67.7207 -51.1263 -1.85308 -50.5302 5.0399 TIMING: 1375600 CPU: 4102.43, 0.0029957/step Wall: 4102.43, 0.0029957/step, 3.016 hours remaining, 206.914062 MB of memory in use. ENERGY: 1375600 717.7412 2140.4355 1904.0882 111.4959 -206568.8996 17779.8191 0.0000 0.0000 34159.8327 -149755.4870 298.3263 -183915.3196 -149659.1600 298.3765 -149.2056 -115.5330 558252.0365 2.5776 2.7143 PRESSURE: 1375800 -168.103 -88.0707 47.1623 -88.0698 -185.912 13.6032 47.164 13.6036 63.8469 GPRESSURE: 1375800 -153.12 29.3226 54.2593 -125.932 -99.6214 -45.7394 73.1993 -10.7874 71.3032 PRESSAVG: 1375800 -13.2255 -52.4843 33.392 -52.4845 -32.0314 -19.1223 33.392 -19.1223 58.879 GPRESSAVG: 1375800 -12.7034 -54.06 33.9567 -50.8952 -33.0919 -19.8193 34.5445 -18.0771 59.2689 TIMING: 1375800 CPU: 4103.03, 0.00303652/step Wall: 4103.03, 0.00303652/step, 3.05693 hours remaining, 206.914062 MB of memory in use. ENERGY: 1375800 755.2150 2075.8018 1921.4200 121.7136 -206582.7371 17829.9246 0.0000 0.0000 34313.5351 -149565.1270 299.6686 -183878.6620 -149464.6316 298.8204 -96.7225 -60.4794 557945.8523 4.5407 4.4912 PRESSURE: 1376000 -233.357 -41.8782 19.4746 -41.8782 -148.613 63.4436 19.4744 63.4437 -18.9324 GPRESSURE: 1376000 -208.707 -105.033 43.6224 -35.6157 -66.0966 64.8202 57.6811 57.8398 -38.4637 PRESSAVG: 1376000 -62.7731 0.366732 -17.7523 0.366739 66.6186 6.71478 -17.7523 6.71474 40.0166 GPRESSAVG: 1376000 -62.8492 0.849552 -17.7687 -0.772362 67.165 7.18312 -17.8222 4.22094 39.4353 TIMING: 1376000 CPU: 4103.64, 0.00303393/step Wall: 4103.64, 0.00303393/step, 3.05416 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1376000 804.8558 2035.6466 1926.9104 114.5309 -206598.1057 17909.1122 0.0000 0.0000 34354.6524 -149452.3974 300.0277 -183807.0498 -149366.8853 298.4787 -133.6340 -104.4223 557908.9135 14.6207 14.5837 PRESSURE: 1376200 -87.7331 -174.565 -121.637 -174.567 59.4723 62.5206 -121.637 62.518 322.428 GPRESSURE: 1376200 -76.8465 -178.112 -87.1273 -181.07 121.376 45.4444 -156.604 31.2732 338.61 PRESSAVG: 1376200 -25.5964 -60.2715 -20.4449 -60.2716 -15.3129 17.2814 -20.4449 17.2814 30.6791 GPRESSAVG: 1376200 -25.7165 -59.9168 -19.822 -59.8493 -15.836 17.2386 -22.144 18.3365 30.6732 TIMING: 1376200 CPU: 4104.24, 0.0029758/step Wall: 4104.24, 0.0029758/step, 2.99547 hours remaining, 206.914062 MB of memory in use. ENERGY: 1376200 689.8757 2080.0175 1938.7867 113.1062 -206507.3704 17913.9763 0.0000 0.0000 34183.3472 -149588.2608 298.5317 -183771.6080 -149498.3991 299.0727 98.0559 127.7133 557302.0746 -3.4101 -3.6264 LDB: ============= START OF LOAD BALANCING ============== 4107.78 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4107.78 LDB: =============== DONE WITH MIGRATION ================ 4107.79 LDB: ============= START OF LOAD BALANCING ============== 4108.09 LDB: Largest compute 4796 load 0.025150 is 21.3% of average load 0.118220 LDB: Average compute 0.001726 is 1.5% of average load 0.118220 LDB: TIME 4108.09 LOAD: AVG 0.11822 MAX 0.212394 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 4108.09 LOAD: AVG 0.11822 MAX 0.212394 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 4108.09 LOAD: AVG 0.11822 MAX 0.212394 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 4108.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4108.09 PRESSURE: 1376400 -4.42361 35.3292 -16.4844 35.3286 44.3801 -68.2561 -16.4851 -68.2559 353.531 GPRESSURE: 1376400 50.1066 30.1972 10.9441 -3.28694 86.4423 -168.164 -47.0553 20.397 372.465 PRESSAVG: 1376400 -42.2554 -3.62949 47.1309 -3.62937 -44.8288 1.59056 47.1309 1.59059 28.6712 GPRESSAVG: 1376400 -42.6048 -2.49612 47.2892 -4.9489 -44.5307 -0.996554 47.2399 3.92964 28.9122 TIMING: 1376400 CPU: 4104.84, 0.00304477/step Wall: 4104.84, 0.00304477/step, 3.06473 hours remaining, 207.996094 MB of memory in use. ENERGY: 1376400 722.8849 2025.7415 1910.2797 114.6200 -206579.3200 18040.8395 0.0000 0.0000 34099.8484 -149665.1060 297.8025 -183764.9544 -149563.4081 298.2183 131.1624 169.6712 556029.1853 -19.4710 -19.4078 PRESSURE: 1376600 -253.351 -74.246 -93.2085 -74.2475 -336.066 -283.026 -93.2076 -283.026 -604.529 GPRESSURE: 1376600 -203.791 -53.4978 -143.161 -11.5206 -344.932 -190.207 -29.3381 -246.273 -557.414 PRESSAVG: 1376600 -37.4728 73.2299 -31.236 73.2299 10.8976 12.824 -31.2359 12.824 10.5445 GPRESSAVG: 1376600 -36.8544 70.5822 -31.0372 73.885 9.56408 15.0765 -30.6534 11.7862 11.4509 TIMING: 1376600 CPU: 4105.45, 0.00302727/step Wall: 4105.45, 0.00302727/step, 3.04695 hours remaining, 208.199219 MB of memory in use. ENERGY: 1376600 741.4433 2087.8699 1901.8004 116.1460 -205947.6889 17300.9366 0.0000 0.0000 34129.9243 -149669.5683 298.0651 -183799.4926 -149574.0525 297.7501 -397.9823 -368.7120 558372.2238 -5.3436 -5.2798 PRESSURE: 1376800 327.565 112.464 84.9267 112.466 64.3931 -19.1121 84.9273 -19.1114 -159.924 GPRESSURE: 1376800 377.992 115.644 128.138 53.8189 95.2563 -87.7431 62.6623 -5.82382 -138.395 PRESSAVG: 1376800 -6.80038 12.3567 -32.0305 12.3567 5.21129 30.1472 -32.0306 30.1473 -24.0439 GPRESSAVG: 1376800 -7.94875 12.2408 -34.0282 13.7762 6.73126 28.9824 -30.5008 30.5977 -24.5358 TIMING: 1376800 CPU: 4106.05, 0.00300551/step Wall: 4106.05, 0.00300551/step, 3.02487 hours remaining, 208.199219 MB of memory in use. ENERGY: 1376800 724.5784 2084.5597 1925.1063 106.0568 -206660.7784 17983.1871 0.0000 0.0000 34210.3150 -149626.9752 298.7672 -183837.2902 -149532.1087 298.6521 77.3447 111.6177 556384.5742 -8.5443 -8.5844 PRESSURE: 1377000 13.4351 74.7754 23.7439 74.7755 125.227 42.424 23.7449 42.4248 -68.6361 GPRESSURE: 1377000 43.1776 57.322 84.8441 106.451 159.027 8.59476 -19.5791 2.00237 -30.4156 PRESSAVG: 1377000 26.966 -48.1953 6.92943 -48.1954 -30.4938 10.6548 6.92945 10.6548 13.6637 GPRESSAVG: 1377000 27.2899 -45.7265 9.05511 -48.5716 -30.5405 11.5216 7.58866 10.8247 14.3383 TIMING: 1377000 CPU: 4106.65, 0.00297555/step Wall: 4106.65, 0.00297555/step, 2.99456 hours remaining, 208.199219 MB of memory in use. ENERGY: 1377000 732.5391 2088.4046 1934.5060 100.0653 -206692.0676 17963.2664 0.0000 0.0000 34138.0129 -149735.2734 298.1358 -183873.2863 -149639.1626 297.8054 23.3421 57.2628 557179.1408 3.3786 3.6959 PRESSURE: 1377200 -403.723 94.4317 -164.772 94.4319 -79.7624 -89.8841 -164.772 -89.8848 104.849 GPRESSURE: 1377200 -351.075 84.4483 -143.827 194.207 -105.634 -41.3986 -113.711 -164.354 165.329 PRESSAVG: 1377200 -0.373204 31.6838 -45.5323 31.6839 -42.89 -44.3155 -45.5324 -44.3156 14.6863 GPRESSAVG: 1377200 0.303161 30.6224 -45.282 32.5137 -43.7419 -44.2346 -46.0724 -45.1354 14.7932 TIMING: 1377200 CPU: 4107.24, 0.00297833/step Wall: 4107.24, 0.00297833/step, 2.99719 hours remaining, 208.199219 MB of memory in use. ENERGY: 1377200 709.0968 2052.5828 1944.7121 123.9552 -206483.7022 17708.4829 0.0000 0.0000 34403.6751 -149541.1974 300.4559 -183944.8725 -149447.9013 297.6561 -126.2119 -97.1265 557524.7716 -9.5256 -9.5485 PRESSURE: 1377400 19.5077 -8.54887 -53.1854 -8.54975 -126.837 45.0713 -53.1848 45.0707 -158.414 GPRESSURE: 1377400 35.3844 -70.6298 -38.4136 54.4754 -127.643 3.33915 -122.588 82.6563 -85.5938 PRESSAVG: 1377400 -71.1796 7.36779 -7.88927 7.36778 -26.001 -27.7649 -7.88921 -27.7648 58.5597 GPRESSAVG: 1377400 -70.9939 9.89209 -7.83082 6.23475 -26.4451 -27.6921 -9.84438 -27.4012 59.002 TIMING: 1377400 CPU: 4107.83, 0.00295137/step Wall: 4107.83, 0.00295137/step, 2.9699 hours remaining, 208.199219 MB of memory in use. ENERGY: 1377400 734.7802 2049.7910 1919.3466 114.3258 -206224.9183 17721.6088 0.0000 0.0000 34292.4779 -149392.5880 299.4847 -183685.0659 -149291.9302 298.6065 -88.5811 -59.2842 557359.7413 -12.8736 -12.8123 PRESSURE: 1377600 35.188 -69.4733 53.7721 -69.4723 51.0709 182.86 53.7727 182.859 -136.301 GPRESSURE: 1377600 64.4413 -81.1277 -70.9346 -75.3533 85.2367 235.37 122.529 171.209 -114.953 PRESSAVG: 1377600 8.75265 -8.28881 -27.4096 -8.28883 -18.6376 9.78596 -27.4096 9.78612 20.1229 GPRESSAVG: 1377600 8.07405 -11.0776 -29.6776 -6.91959 -18.0792 10.5936 -25.7439 7.82804 19.9847 TIMING: 1377600 CPU: 4108.42, 0.00295728/step Wall: 4108.42, 0.00295728/step, 2.97568 hours remaining, 208.199219 MB of memory in use. ENERGY: 1377600 701.5689 2050.7715 1879.5385 116.7569 -206356.1508 17839.3575 0.0000 0.0000 34515.2185 -149252.9390 301.4300 -183768.1574 -149143.2447 299.5799 -16.6805 11.5750 556978.5288 3.4126 3.3265 PRESSURE: 1377800 -81.7238 28.456 21.6649 28.4567 45.7263 32.9652 21.6651 32.9659 -107.375 GPRESSURE: 1377800 11.9853 59.5186 36.5715 26.6143 52.3002 108.138 74.5028 4.67252 -106.713 PRESSAVG: 1377800 -19.6589 3.21321 38.4749 3.21318 -6.83417 52.3507 38.4749 52.3505 -6.6233 GPRESSAVG: 1377800 -19.1174 5.22372 37.223 0.868347 -7.2751 49.2003 40.3261 54.6516 -6.38979 TIMING: 1377800 CPU: 4109.02, 0.0029603/step Wall: 4109.02, 0.0029603/step, 2.97856 hours remaining, 208.199219 MB of memory in use. ENERGY: 1377800 739.4300 2056.5254 1911.2019 100.5051 -205944.7348 17629.1560 0.0000 0.0000 34284.8472 -149223.0692 299.4181 -183507.9164 -149126.0665 299.2257 -47.7907 -14.1426 557363.1542 -11.0388 -10.9274 PRESSURE: 1378000 398.049 -143.301 -120.534 -143.301 123.134 22.9294 -120.532 22.9304 113.448 GPRESSURE: 1378000 430.859 -118.375 -40.9179 -124.171 134.522 -7.80663 -149.339 -41.8791 178.836 PRESSAVG: 1378000 46.7304 -29.0268 27.8515 -29.0268 43.4438 81.8378 27.8515 81.8377 -94.5738 GPRESSAVG: 1378000 48.0001 -31.5183 29.4891 -26.7555 42.6806 82.7563 26.0191 82.1792 -94.583 TIMING: 1378000 CPU: 4109.61, 0.00296716/step Wall: 4109.61, 0.00296716/step, 2.98529 hours remaining, 208.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1378000 722.3665 2041.5830 1914.5731 113.6403 -206542.0686 18149.4627 0.0000 0.0000 34227.3330 -149373.1099 298.9158 -183600.4429 -149278.7262 298.8465 211.5436 248.0722 557222.2442 -1.4665 -1.3008 PRESSURE: 1378200 205.204 -107.964 -242.348 -107.964 170.441 -56.4547 -242.347 -56.4535 -251.943 GPRESSURE: 1378200 301.532 -43.9812 -226.317 -144.655 129.973 1.05793 -166.031 -88.8763 -193.631 PRESSAVG: 1378200 56.8279 -71.392 20.5476 -71.392 -13.4224 59.8864 20.5477 59.8865 -28.4471 GPRESSAVG: 1378200 55.8438 -70.263 21.5159 -72.6127 -13.2237 60.1631 19.5777 58.9223 -27.8004 TIMING: 1378200 CPU: 4110.21, 0.00299423/step Wall: 4110.21, 0.00299423/step, 3.01236 hours remaining, 208.199219 MB of memory in use. ENERGY: 1378200 749.9228 2041.8740 1941.2122 115.7550 -206249.2277 17814.6197 0.0000 0.0000 34148.2397 -149437.6044 298.2251 -183585.8441 -149342.2661 298.0410 41.2340 79.2915 554586.9528 4.9862 4.9399 PRESSURE: 1378400 -151.684 -135.687 -34.7802 -135.686 301.681 174.894 -34.7795 174.894 211.7 GPRESSURE: 1378400 -166.285 -268.535 -79.4048 -55.8927 390.984 129.039 -55.676 188.885 228.98 PRESSAVG: 1378400 -21.9331 -94.1034 29.9479 -94.1034 20.3828 15.7157 29.9478 15.7157 -35.1391 GPRESSAVG: 1378400 -22.6038 -94.6167 28.2725 -93.0385 20.5107 16.2885 30.7746 14.6368 -34.9379 TIMING: 1378400 CPU: 4110.8, 0.00295169/step Wall: 4110.8, 0.00295169/step, 2.9694 hours remaining, 208.199219 MB of memory in use. ENERGY: 1378400 716.6770 2111.1009 1904.9732 127.5337 -205964.8865 17781.3365 0.0000 0.0000 34192.2165 -149131.0487 298.6091 -183323.2651 -149037.2220 298.5489 120.5657 151.2263 556508.6588 -12.2298 -12.3437 PRESSURE: 1378600 -117.919 17.903 77.4331 17.9039 273.989 -15.5102 77.434 -15.5098 188.05 GPRESSURE: 1378600 -125.941 31.8104 105.539 28.6922 266.168 -32.3815 36.8735 18.5556 294.885 PRESSAVG: 1378600 -1.44995 -51.4994 45.9229 -51.4995 21.3551 -30.6185 45.9228 -30.6185 -12.2704 GPRESSAVG: 1378600 0.122838 -51.2525 46.0501 -52.294 20.9594 -30.1506 45.7305 -30.7956 -13.3655 TIMING: 1378600 CPU: 4111.39, 0.0029626/step Wall: 4111.39, 0.0029626/step, 2.98021 hours remaining, 208.199219 MB of memory in use. ENERGY: 1378600 742.9565 2061.5438 1950.2647 117.3613 -206355.0400 17693.2382 0.0000 0.0000 34568.2509 -149221.4246 301.8931 -183789.6755 -149120.5438 299.1861 114.7063 145.0373 555432.3270 2.5449 2.5723 PRESSURE: 1378800 45.4784 4.83128 81.2465 4.8307 -69.5302 63.6582 81.2468 63.658 -70.1034 GPRESSURE: 1378800 101.101 10.7723 98.8336 23.0042 -51.2258 74.6601 42.894 69.4559 -43.7129 PRESSAVG: 1378800 64.5836 -37.3827 32.8849 -37.3827 -44.2063 -0.207887 32.8849 -0.207948 -38.8046 GPRESSAVG: 1378800 64.662 -36.9273 32.2538 -36.9738 -43.815 -0.38834 32.4177 1.69174 -39.1722 TIMING: 1378800 CPU: 4111.99, 0.00300131/step Wall: 4111.99, 0.00300131/step, 3.01898 hours remaining, 208.199219 MB of memory in use. ENERGY: 1378800 733.6023 2085.8408 1929.4018 114.2726 -206214.1986 17758.2142 0.0000 0.0000 34075.6218 -149517.2450 297.5909 -183592.8669 -149415.1319 298.8354 -31.3851 2.0540 556531.8881 -6.1424 -6.1084 PRESSURE: 1379000 -162.642 31.3974 -150.681 31.3969 -506.106 -27.5331 -150.681 -27.5323 49.8309 GPRESSURE: 1379000 -124.991 59.8467 -113.227 119.585 -464.033 -45.3966 -183.37 -90.4601 59.4126 PRESSAVG: 1379000 50.8457 -72.9612 22.3616 -72.9612 -1.44121 2.72793 22.3618 2.72789 -25.7279 GPRESSAVG: 1379000 49.0093 -72.4616 23.4339 -74.0942 -0.367155 3.40636 21.2644 1.13439 -25.1315 TIMING: 1379000 CPU: 4112.59, 0.00300818/step Wall: 4112.59, 0.00300818/step, 3.02573 hours remaining, 208.199219 MB of memory in use. ENERGY: 1379000 769.6093 2098.9507 1944.1023 105.6393 -206031.4017 17611.4005 0.0000 0.0000 34040.4241 -149461.2755 297.2835 -183501.6997 -149367.7373 298.7446 -206.3057 -176.5370 557814.6785 7.8922 7.8369 PRESSURE: 1379200 -105.2 57.3074 -63.9565 57.3081 -131.26 -70.6348 -63.9572 -70.6348 -127.329 GPRESSURE: 1379200 -71.6287 29.0168 -38.5502 41.2334 -74.8399 -19.0439 -51.5681 -36.4604 -119.802 PRESSAVG: 1379200 -48.9589 9.64146 -10.8012 9.64148 -7.53216 -22.8581 -10.8013 -22.858 63.7386 GPRESSAVG: 1379200 -48.2019 9.91379 -11.3606 8.88012 -7.47184 -22.6192 -9.46422 -21.3438 62.8757 TIMING: 1379200 CPU: 4113.19, 0.00299252/step Wall: 4113.19, 0.00299252/step, 3.00981 hours remaining, 208.199219 MB of memory in use. ENERGY: 1379200 746.5935 2076.7953 1948.4816 116.5480 -206315.4250 17800.5546 0.0000 0.0000 34330.1290 -149296.3231 299.8136 -183626.4521 -149197.5561 298.3387 -121.2630 -88.7569 558471.3058 2.4159 2.4007 PRESSURE: 1379400 -277.471 -155.18 -69.1424 -155.18 -210.235 -210.07 -69.1443 -210.07 -169.9 GPRESSURE: 1379400 -228.977 -192.443 -50.5535 -157.263 -163.623 -131.472 -38.3677 -201.421 -157.143 PRESSAVG: 1379400 -28.563 -58.1681 2.45201 -58.1682 44.8228 -53.7651 2.45189 -53.7651 30.731 GPRESSAVG: 1379400 -29.0514 -58.81 1.97201 -57.2507 44.1161 -54.5681 2.7664 -55.104 31.8643 TIMING: 1379400 CPU: 4113.79, 0.00297724/step Wall: 4113.79, 0.00297724/step, 2.99427 hours remaining, 208.199219 MB of memory in use. ENERGY: 1379400 766.9118 2096.7093 1941.4400 105.7048 -205934.7938 17480.7722 0.0000 0.0000 34217.0956 -149326.1600 298.8264 -183543.2556 -149229.6926 298.7806 -219.2019 -183.2477 558075.7863 15.6636 15.6430 PRESSURE: 1379600 -72.2496 66.0095 68.5116 66.0081 -186.202 66.4701 68.5121 66.4706 87.1526 GPRESSURE: 1379600 -7.21841 47.042 134.451 78.0497 -167.355 114.471 103.767 103.913 90.6603 PRESSAVG: 1379600 -54.1856 -54.8882 -38.4068 -54.8881 -14.9754 -43.442 -38.4067 -43.442 75.2019 GPRESSAVG: 1379600 -52.7163 -54.6246 -37.2927 -54.9479 -16.0493 -43.1838 -39.5138 -41.9144 75.0142 TIMING: 1379600 CPU: 4114.39, 0.00299302/step Wall: 4114.39, 0.00299302/step, 3.00998 hours remaining, 208.199219 MB of memory in use. ENERGY: 1379600 707.6711 2079.8060 1920.9130 107.9111 -206222.8176 17735.6672 0.0000 0.0000 34284.5533 -149386.2959 299.4155 -183670.8492 -149292.5762 298.4296 -57.0998 -27.9711 557015.0085 2.0136 2.0829 PRESSURE: 1379800 -137.002 -118.152 -199.032 -118.152 -125.79 -36.7341 -199.031 -36.7334 -109.069 GPRESSURE: 1379800 -108.83 -58.6521 -155.817 -143.854 -86.102 -71.2227 -274.731 -10.2004 -77.5783 PRESSAVG: 1379800 2.49677 15.6297 2.07154 15.6297 1.27536 -24.2278 2.07163 -24.2278 19.1642 GPRESSAVG: 1379800 -0.468946 12.5597 1.04605 15.2743 3.49483 -24.72 1.96253 -25.0964 20.0262 TIMING: 1379800 CPU: 4114.98, 0.00296492/step Wall: 4114.98, 0.00296492/step, 2.98156 hours remaining, 208.199219 MB of memory in use. ENERGY: 1379800 719.5627 2064.3518 1917.1153 120.4544 -206011.7592 17667.6407 0.0000 0.0000 34274.1632 -149248.4711 299.3248 -183522.6343 -149150.4079 299.4227 -123.9538 -90.8369 558127.6528 7.6455 7.6840 PRESSURE: 1380000 -72.0008 79.1982 -147.788 79.1985 11.4239 -113.557 -147.788 -113.559 -237.353 GPRESSURE: 1380000 -42.8288 118.923 -104.907 61.189 53.0085 -104.692 -168.923 -81.4887 -200.483 PRESSAVG: 1380000 -1.06528 -40.8553 27.3337 -40.8554 40.4967 7.39475 27.3337 7.39473 -48.0906 GPRESSAVG: 1380000 1.05797 -38.3587 28.0022 -41.0269 39.253 9.02761 27.146 5.52185 -48.5258 TIMING: 1380000 CPU: 4115.57, 0.00295977/step Wall: 4115.57, 0.00295977/step, 2.97621 hours remaining, 208.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1380000 723.5408 2051.1847 1929.6013 126.0036 -205988.3538 17772.0513 0.0000 0.0000 34064.8653 -149321.1068 297.4969 -183385.9721 -149226.9181 298.7505 -99.3099 -63.4344 557580.0061 -2.8864 -2.7383 PRESSURE: 1380200 63.2225 -130.079 -36.4174 -130.079 217.114 17.5853 -36.4182 17.5855 -51.8655 GPRESSURE: 1380200 99.3832 -124.289 -107.487 -123.172 239.422 45.9096 23.1868 38.6639 -16.7573 PRESSAVG: 1380200 7.05144 -10.2962 -22.0575 -10.2963 48.9298 -27.9716 -22.0574 -27.9715 -50.3159 GPRESSAVG: 1380200 6.58767 -9.64831 -24.3901 -11.7298 48.3032 -30.7029 -21.3598 -23.7387 -49.8639 TIMING: 1380200 CPU: 4116.17, 0.00297711/step Wall: 4116.17, 0.00297711/step, 2.99349 hours remaining, 208.199219 MB of memory in use. ENERGY: 1380200 747.2641 2111.5121 1923.1775 123.4278 -206422.5004 17933.2285 0.0000 0.0000 34146.5181 -149437.3722 298.2100 -183583.8903 -149348.5427 298.8498 76.1571 107.3493 556233.4393 1.8884 1.6756 LDB: ============= START OF LOAD BALANCING ============== 4119.72 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4119.72 LDB: =============== DONE WITH MIGRATION ================ 4119.72 LDB: ============= START OF LOAD BALANCING ============== 4120.02 LDB: Largest compute 4796 load 0.025618 is 21.7% of average load 0.118203 LDB: Average compute 0.001722 is 1.5% of average load 0.118203 LDB: TIME 4120.02 LOAD: AVG 0.118203 MAX 0.209556 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 4120.02 LOAD: AVG 0.118203 MAX 0.209556 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 4120.02 LOAD: AVG 0.118203 MAX 0.209556 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: ============== END OF LOAD BALANCING =============== 4120.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4120.03 PRESSURE: 1380400 197.911 105.602 -79.706 105.602 253.917 -22.8595 -79.7058 -22.8593 33.2533 GPRESSURE: 1380400 251.689 110.125 -4.78753 87.4521 271.529 19.2271 -76.6696 -46.0813 59.8266 PRESSAVG: 1380400 71.9643 -45.4226 -44.5204 -45.4226 -46.3492 -20.5073 -44.5204 -20.5075 -30.5524 GPRESSAVG: 1380400 71.672 -47.9356 -43.907 -41.8322 -45.8568 -19.7008 -42.1419 -22.9413 -30.3337 TIMING: 1380400 CPU: 4116.78, 0.00306153/step Wall: 4116.78, 0.00306153/step, 3.0782 hours remaining, 208.257812 MB of memory in use. ENERGY: 1380400 706.3014 2081.8199 1931.5912 115.1227 -206542.9984 17986.1572 0.0000 0.0000 34211.0069 -149510.9990 298.7732 -183722.0060 -149417.7073 298.7268 161.6938 194.3483 556006.7144 -1.6458 -1.5062 PRESSURE: 1380600 -10.399 4.5399 91.1155 4.54101 -39.1429 -77.9258 91.1165 -77.9273 78.8092 GPRESSURE: 1380600 58.4172 -31.4386 128.1 71.0282 -62.3673 -2.89919 105.419 -163.105 118.865 PRESSAVG: 1380600 40.7027 -5.63324 -66.829 -5.63337 -46.8515 -16.1719 -66.829 -16.1718 40.8519 GPRESSAVG: 1380600 40.413 -3.87945 -66.4515 -8.64614 -46.0637 -17.1488 -69.72 -15.0444 40.036 TIMING: 1380600 CPU: 4117.37, 0.00296257/step Wall: 4117.37, 0.00296257/step, 2.97854 hours remaining, 208.257812 MB of memory in use. ENERGY: 1380600 753.0420 2084.6459 1885.5788 114.3107 -206387.3591 17858.7872 0.0000 0.0000 34126.5735 -149564.4210 298.0359 -183690.9944 -149471.1245 298.3681 9.7558 38.3050 556273.3133 11.5677 11.4617 PRESSURE: 1380800 -396.31 -50.3296 -103.712 -50.3285 -446.85 152.699 -103.71 152.7 -333.145 GPRESSURE: 1380800 -365.934 -114.128 -124.463 -64.7149 -423.722 155.834 -34.5784 103.226 -286.504 PRESSAVG: 1380800 8.61198 21.1523 11.0574 21.1525 -21.4457 33.1363 11.0574 33.1362 49.144 GPRESSAVG: 1380800 10.1339 20.4723 12.2612 23.6125 -22.4409 35.8492 11.1467 30.549 49.2253 TIMING: 1380800 CPU: 4117.97, 0.00297553/step Wall: 4117.97, 0.00297553/step, 2.9914 hours remaining, 208.257812 MB of memory in use. ENERGY: 1380800 787.5866 2051.5392 1889.5922 109.9450 -206003.8258 17366.1852 0.0000 0.0000 34171.5960 -149627.3818 298.4290 -183798.9777 -149528.6086 298.2640 -392.1016 -358.7201 556825.4370 12.1034 12.3061 PRESSURE: 1381000 372.645 2.22153 -74.8417 2.22227 134.948 108.033 -74.8423 108.033 -152.439 GPRESSURE: 1381000 412.245 -7.84567 -26.0183 -15.3436 150.518 72.1414 -137.936 109.329 -99.309 PRESSAVG: 1381000 -29.9987 -6.0396 14.961 -6.03965 6.31477 -15.415 14.9611 -15.415 29.9366 GPRESSAVG: 1381000 -29.8279 -5.27564 15.8026 -8.64974 7.14264 -15.7837 13.7047 -16.0506 28.5683 TIMING: 1381000 CPU: 4118.56, 0.00296506/step Wall: 4118.56, 0.00296506/step, 2.98071 hours remaining, 208.257812 MB of memory in use. ENERGY: 1381000 738.1294 2052.8403 1935.5401 113.9662 -206472.8639 18013.5727 0.0000 0.0000 34001.0640 -149617.7511 296.9397 -183618.8151 -149523.5556 297.9684 118.3843 154.4849 557346.7384 2.0842 1.9610 PRESSURE: 1381200 -8.88055 -21.1875 -99.0383 -21.1875 -5.394 -127.93 -99.0386 -127.93 -15.9389 GPRESSURE: 1381200 28.8181 87.5653 -106.205 -37.7139 49.0754 -98.0032 -85.6718 -118.351 -9.9798 PRESSAVG: 1381200 33.1895 -32.7173 -13.3344 -32.7173 54.1086 12.2728 -13.3344 12.2728 -90.0661 GPRESSAVG: 1381200 32.6624 -30.8888 -15.86 -31.421 53.491 10.3538 -10.5659 14.3239 -88.6925 TIMING: 1381200 CPU: 4119.15, 0.00295176/step Wall: 4119.15, 0.00295176/step, 2.96717 hours remaining, 208.257812 MB of memory in use. ENERGY: 1381200 726.8843 2083.2177 1926.7095 119.3984 -206579.6684 17935.6107 0.0000 0.0000 34302.4237 -149485.4241 299.5716 -183787.8478 -149389.6091 298.2532 -10.0711 22.6379 556909.2863 -0.9226 -0.8464 PRESSURE: 1381400 342.63 -16.6496 70.7528 -16.6498 130.351 10.8103 70.7534 10.8095 346.309 GPRESSURE: 1381400 333.554 -24.062 52.0669 -47.5919 166.489 55.8012 83.7502 -34.9534 409.002 PRESSAVG: 1381400 20.1242 -63.1948 45.8056 -63.1949 -14.9271 -2.77541 45.8056 -2.77541 0.51996 GPRESSAVG: 1381400 20.7086 -66.7569 49.2275 -62.0937 -15.2012 -2.30834 41.5966 -3.67164 -0.180322 TIMING: 1381400 CPU: 4119.74, 0.00295663/step Wall: 4119.74, 0.00295663/step, 2.97191 hours remaining, 208.257812 MB of memory in use. ENERGY: 1381400 741.0251 2125.9959 1917.2803 96.5309 -206919.5589 18375.3499 0.0000 0.0000 34178.6865 -149484.6903 298.4910 -183663.3767 -149388.8315 298.4619 273.0964 303.0149 555213.6842 1.9057 1.7757 PRESSURE: 1381600 -238.563 157.778 -15.5617 157.777 -14.6142 52.8488 -15.5612 52.8475 92.0383 GPRESSURE: 1381600 -170.665 128.015 -24.2657 214.761 -5.23764 77.0492 3.0197 85.3387 115.178 PRESSAVG: 1381600 -25.4325 -34.7235 11.7777 -34.7235 49.4808 -38.7381 11.7777 -38.7381 6.02631 GPRESSAVG: 1381600 -26.0721 -32.2479 8.12624 -34.28 50.017 -37.4297 14.9195 -38.3749 6.16635 TIMING: 1381600 CPU: 4120.34, 0.00298789/step Wall: 4120.34, 0.00298789/step, 3.00316 hours remaining, 208.257812 MB of memory in use. ENERGY: 1381600 750.2157 2089.4658 1890.8934 98.9312 -206181.6494 17695.8045 0.0000 0.0000 34037.3359 -149619.0030 297.2565 -183656.3389 -149530.8990 297.4897 -53.7129 -20.2416 556607.4090 10.0249 10.0371 PRESSURE: 1381800 6.22283 -116.3 14.4743 -116.3 173.587 34.322 14.4742 34.321 -75.0957 GPRESSURE: 1381800 26.2271 -107.429 -46.7634 -200.32 173.573 -11.5544 46.3113 80.9799 -13.9003 PRESSAVG: 1381800 41.0138 -24.5846 8.03352 -24.5845 -41.2431 8.20926 8.03349 8.20918 -36.9273 GPRESSAVG: 1381800 40.9901 -23.8857 9.49586 -24.829 -40.2698 7.06627 6.34366 7.73811 -37.7617 TIMING: 1381800 CPU: 4120.93, 0.00297635/step Wall: 4120.93, 0.00297635/step, 2.9914 hours remaining, 208.257812 MB of memory in use. ENERGY: 1381800 721.6328 2051.1550 1928.4306 120.8310 -206399.8818 17743.9253 0.0000 0.0000 34196.2664 -149637.6408 298.6445 -183833.9071 -149547.3162 298.2033 34.9046 61.9667 556080.9931 -12.3855 -12.3471 PRESSURE: 1382000 137.809 -80.002 -83.3807 -80.0008 18.4082 -130.8 -83.3829 -130.801 -279.258 GPRESSURE: 1382000 180.31 -168.511 -81.5331 -36.7829 82.7919 -61.0398 -28.5576 -122.615 -285.4 PRESSAVG: 1382000 -26.0605 -85.796 17.2184 -85.7958 17.7236 5.92371 17.2184 5.9236 35.9227 GPRESSAVG: 1382000 -25.6595 -89.0184 17.3072 -84.2311 16.449 5.35465 18.9141 5.76948 36.9128 TIMING: 1382000 CPU: 4121.53, 0.00300144/step Wall: 4121.53, 0.00300144/step, 3.01644 hours remaining, 208.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1382000 745.6879 2074.9948 1932.1633 109.5583 -206317.8946 17827.0842 0.0000 0.0000 34140.6218 -149487.7843 298.1585 -183628.4061 -149393.6779 298.7900 -41.0137 -7.4326 555419.4937 9.1953 9.2341 PRESSURE: 1382200 -72.8434 -94.7893 171.712 -94.7904 22.346 -91.0676 171.713 -91.0672 85.9697 GPRESSURE: 1382200 -30.2442 -163.689 115.09 -87.0347 51.3947 -79.6546 142.002 -82.0405 117.461 PRESSAVG: 1382200 -14.2231 -19.5513 3.76337 -19.5513 25.8575 -37.9316 3.76334 -37.9316 37.1576 GPRESSAVG: 1382200 -13.7674 -15.3775 5.45087 -22.9136 25.6827 -37.3566 3.81039 -36.4294 37.3817 TIMING: 1382200 CPU: 4122.14, 0.00302992/step Wall: 4122.14, 0.00302992/step, 3.0449 hours remaining, 208.257812 MB of memory in use. ENERGY: 1382200 753.4461 2084.9495 1927.9625 101.2666 -206660.3683 17927.5159 0.0000 0.0000 34370.1550 -149495.0726 300.1631 -183865.2277 -149400.1641 298.7365 11.8241 46.2039 555170.0281 16.2640 16.4323 PRESSURE: 1382400 20.0867 10.6912 47.2689 10.6906 133.693 55.8193 47.2694 55.8188 446.792 GPRESSURE: 1382400 63.0063 31.5645 76.3699 54.4284 181.095 28.5476 52.3253 67.0717 465.416 PRESSAVG: 1382400 -14.8284 -15.1163 62.1068 -15.1163 -46.0825 -21.5122 62.1068 -21.5121 54.477 GPRESSAVG: 1382400 -15.378 -17.5894 61.3591 -14.1315 -44.8723 -21.8351 60.7517 -21.5702 53.9127 TIMING: 1382400 CPU: 4122.74, 0.0030172/step Wall: 4122.74, 0.0030172/step, 3.03195 hours remaining, 208.257812 MB of memory in use. ENERGY: 1382400 710.6696 2053.3965 1931.6127 118.3861 -206344.0021 17964.4080 0.0000 0.0000 34048.2508 -149517.2785 297.3518 -183565.5293 -149427.4051 298.1788 200.1905 236.5059 555838.3249 -2.1446 -2.1126 PRESSURE: 1382600 287.625 126.878 120.99 126.878 -15.1943 -35.44 120.99 -35.4397 218.674 GPRESSURE: 1382600 308.459 120.817 111.3 94.7858 2.96161 -72.9746 81.2149 6.76854 273.662 PRESSAVG: 1382600 1.0074 39.8911 32.4092 39.8911 -18.8991 -15.4271 32.4091 -15.427 35.5134 GPRESSAVG: 1382600 0.765951 39.5926 34.1481 40.6485 -19.1138 -15.9175 33.3116 -13.9759 36.0908 TIMING: 1382600 CPU: 4123.35, 0.00302305/step Wall: 4123.35, 0.00302305/step, 3.03766 hours remaining, 208.257812 MB of memory in use. ENERGY: 1382600 704.6175 2149.4848 1943.5843 117.6909 -206691.5715 18056.5020 0.0000 0.0000 34309.9840 -149409.7081 299.6376 -183719.6920 -149309.0173 298.2378 163.7016 195.0277 556663.7771 5.8739 5.9143 PRESSURE: 1382800 -291.49 75.7845 185.741 75.7859 -125.656 81.2547 185.741 81.2556 110.025 GPRESSURE: 1382800 -207.438 160.857 193.788 -15.2974 -51.7321 131.346 188.147 -2.18534 47.1768 PRESSAVG: 1382800 -99.3406 -10.9946 73.1525 -10.9945 7.65206 10.3092 73.1524 10.3091 57.5231 GPRESSAVG: 1382800 -99.9154 -10.6743 71.0515 -11.1654 8.37802 11.5258 74.2471 6.98545 56.9989 TIMING: 1382800 CPU: 4123.94, 0.00298074/step Wall: 4123.94, 0.00298074/step, 2.99498 hours remaining, 208.257812 MB of memory in use. ENERGY: 1382800 752.3336 2065.0347 1948.4152 121.0436 -206137.8469 17747.9371 0.0000 0.0000 34240.6476 -149262.4351 299.0321 -183503.0828 -149166.0408 298.8577 -102.3740 -70.6643 557156.1498 -11.3885 -11.5128 PRESSURE: 1383000 -16.3499 32.8107 -86.0018 32.8094 -69.6621 110.474 -86.0018 110.475 -41.3181 GPRESSURE: 1383000 -13.8751 59.5429 -52.8614 -11.6657 -5.97206 150.31 -40.5207 87.9962 -3.01267 PRESSAVG: 1383000 -55.9619 -28.6747 83.353 -28.6748 -29.022 1.94527 83.353 1.94531 66.5143 GPRESSAVG: 1383000 -55.131 -30.9695 83.5939 -27.751 -30.2461 1.47664 80.7662 3.08438 66.9729 TIMING: 1383000 CPU: 4124.54, 0.00298522/step Wall: 4124.54, 0.00298522/step, 2.99931 hours remaining, 208.257812 MB of memory in use. ENERGY: 1383000 752.8304 2071.0446 1912.6940 112.9687 -206231.3126 17856.3690 0.0000 0.0000 34299.7289 -149225.6770 299.5481 -183525.4059 -149135.0904 299.3183 -42.4434 -7.6199 557483.0617 -6.1565 -6.1347 PRESSURE: 1383200 -117.413 32.6204 -108.083 32.6202 -93.7126 -219.558 -108.084 -219.559 30.9405 GPRESSURE: 1383200 -36.6749 29.6391 -133.504 -23.634 -128.162 -184.394 -38.1067 -221.199 74.2659 PRESSAVG: 1383200 -44.6759 -10.1481 -7.51822 -10.148 43.6925 -25.2749 -7.51828 -25.2749 12.6422 GPRESSAVG: 1383200 -45.9695 -8.69399 -5.49077 -10.287 45.5063 -25.614 -6.18533 -24.4091 11.8297 TIMING: 1383200 CPU: 4125.14, 0.00298352/step Wall: 4125.14, 0.00298352/step, 2.99744 hours remaining, 208.257812 MB of memory in use. ENERGY: 1383200 746.8682 2086.1434 1914.3548 108.9520 -206374.8914 17812.1725 0.0000 0.0000 34218.7371 -149487.6635 298.8407 -183706.4005 -149393.8764 299.6783 -60.0617 -30.1903 556889.3197 3.8863 3.7888 PRESSURE: 1383400 -0.766409 -186.158 127.891 -186.158 45.9937 -102.896 127.89 -102.896 146.981 GPRESSURE: 1383400 -43.1613 -254.109 172.653 -121.291 140.932 -185.192 74.8221 -48.414 205.108 PRESSAVG: 1383400 -54.6503 -34.2642 22.4065 -34.2643 -5.60394 -39.4627 22.4064 -39.4628 53.5848 GPRESSAVG: 1383400 -54.438 -32.573 21.1488 -34.3967 -5.27554 -39.2158 23.3379 -41.337 53.1733 TIMING: 1383400 CPU: 4125.74, 0.00300048/step Wall: 4125.74, 0.00300048/step, 3.01431 hours remaining, 208.257812 MB of memory in use. ENERGY: 1383400 735.7243 2004.9644 1927.1445 120.3338 -206730.2866 18043.3317 0.0000 0.0000 34311.1602 -149587.6277 299.6479 -183898.7879 -149485.6615 298.6242 64.0694 100.9596 555952.1126 -2.2231 -2.1801 PRESSURE: 1383600 -141.673 -67.4871 -227.643 -67.487 59.4174 11.2963 -227.643 11.2972 48.7696 GPRESSURE: 1383600 -67.4104 -35.5708 -281.562 -63.6196 100.994 -7.11948 -194.44 42.602 23.7812 PRESSAVG: 1383600 -21.8212 -49.1724 35.4088 -49.1724 10.8967 2.51782 35.4087 2.51773 4.00375 GPRESSAVG: 1383600 -22.7358 -47.3802 35.5401 -51.0738 11.3838 3.14468 34.692 1.70536 4.05397 TIMING: 1383600 CPU: 4126.34, 0.00299521/step Wall: 4126.34, 0.00299521/step, 3.00886 hours remaining, 208.257812 MB of memory in use. ENERGY: 1383600 748.3372 1977.6373 1936.0900 104.3913 -206326.4202 17735.2773 0.0000 0.0000 34112.2141 -149712.4730 297.9104 -183824.6871 -149615.1436 297.6954 -11.1618 19.1216 556003.6801 -2.3069 -2.4327 PRESSURE: 1383800 174.157 36.437 142.015 36.437 96.1937 11.4943 142.013 11.4935 -82.9953 GPRESSURE: 1383800 234.039 37.5646 108.309 14.4387 157.071 11.152 145.062 21.4764 -110.376 PRESSAVG: 1383800 55.3797 28.2887 12.9818 28.2887 7.17479 -22.4358 12.9818 -22.4356 -54.5185 GPRESSAVG: 1383800 56.9708 25.4404 13.4116 29.8867 4.99687 -20.7604 13.1625 -22.4274 -54.0763 TIMING: 1383800 CPU: 4126.94, 0.00302051/step Wall: 4126.94, 0.00302051/step, 3.03411 hours remaining, 208.257812 MB of memory in use. ENERGY: 1383800 727.9419 2035.6475 1915.2000 108.0114 -206625.0369 17856.5598 0.0000 0.0000 34130.1911 -149851.4852 298.0674 -183981.6762 -149751.8622 297.6571 62.4519 93.5780 556542.8930 2.6787 2.6304 PRESSURE: 1384000 -178.033 -117.02 115.79 -117.02 -141.147 99.3844 115.791 99.3851 185.816 GPRESSURE: 1384000 -113.972 -90.6489 156.509 -143.036 -65.1576 123.546 160.333 71.8351 139.802 PRESSAVG: 1384000 5.57593 14.1045 34.6321 14.1045 -2.15625 5.63567 34.6322 5.63557 -13.455 GPRESSAVG: 1384000 3.62445 13.204 34.5728 13.7343 -0.743849 6.01437 34.9999 4.99844 -13.092 TIMING: 1384000 CPU: 4127.55, 0.00304174/step Wall: 4127.55, 0.00304174/step, 3.05526 hours remaining, 208.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1384000 758.0227 2021.4964 1905.5250 112.5533 -206581.3319 17777.4667 0.0000 0.0000 34284.7341 -149721.5336 299.4171 -184006.2677 -149629.2546 298.2309 -44.4549 -13.1090 557142.6252 -3.3451 -3.4038 PRESSURE: 1384200 29.8228 74.2255 109.389 74.2251 -289.197 125.158 109.389 125.158 154.092 GPRESSURE: 1384200 23.0761 85.426 92.2003 49.4384 -183.087 59.4121 113.797 151.245 157.806 PRESSAVG: 1384200 -0.492948 -30.6231 62.4274 -30.6233 -21.0957 32.159 62.4274 32.159 4.08724 GPRESSAVG: 1384200 0.0594575 -31.1889 63.5065 -27.7929 -21.9869 31.0828 62.178 31.9076 5.15092 TIMING: 1384200 CPU: 4128.15, 0.00298105/step Wall: 4128.15, 0.00298105/step, 2.99413 hours remaining, 208.257812 MB of memory in use. ENERGY: 1384200 770.6807 2003.2100 1913.9455 105.3356 -206265.8171 17744.1983 0.0000 0.0000 34207.5235 -149520.9234 298.7428 -183728.4470 -149418.1651 298.5541 -35.0941 -0.7347 557096.1516 -5.8338 -5.5922 LDB: ============= START OF LOAD BALANCING ============== 4131.7 LDB: ============== END OF LOAD BALANCING =============== 4131.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4131.7 LDB: ============= START OF LOAD BALANCING ============== 4132 LDB: Largest compute 4796 load 0.027319 is 23.1% of average load 0.118215 LDB: Average compute 0.001721 is 1.5% of average load 0.118215 LDB: TIME 4132 LOAD: AVG 0.118215 MAX 0.216266 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 4132 LOAD: AVG 0.118215 MAX 0.216266 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 4132 LOAD: AVG 0.118215 MAX 0.216266 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: ============== END OF LOAD BALANCING =============== 4132 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4132.01 PRESSURE: 1384400 172.592 138.707 -41.2707 138.707 -273.22 112.509 -41.2704 112.507 -17.8987 GPRESSURE: 1384400 188.354 119.057 1.50752 103.646 -217.394 79.5168 -101.121 110.631 10.989 PRESSAVG: 1384400 82.2024 -22.4102 40.7608 -22.4103 -95.8242 48.1027 40.7609 48.1028 -0.484265 GPRESSAVG: 1384400 82.5233 -20.683 38.2428 -27.0713 -94.7152 47.3893 40.9459 49.7476 -2.08264 TIMING: 1384400 CPU: 4128.76, 0.00306487/step Wall: 4128.76, 0.00306487/step, 3.07815 hours remaining, 207.226562 MB of memory in use. ENERGY: 1384400 714.4714 2076.9254 1929.6267 112.7224 -206501.0208 17883.3006 0.0000 0.0000 34061.3965 -149722.5778 297.4666 -183783.9742 -149622.0999 297.6974 -39.5089 -6.0170 557943.5188 -4.7020 -4.7582 PRESSURE: 1384600 -200.048 72.2707 116.355 72.2709 -6.68082 -43.0316 116.356 -43.0312 -68.9394 GPRESSURE: 1384600 -158.948 78.6051 57.9873 104.424 -3.98649 -6.66043 94.0574 -6.19167 -27.1008 PRESSAVG: 1384600 48.1976 6.19876 41.5472 6.19872 -36.8779 8.72705 41.5472 8.72708 -26.545 GPRESSAVG: 1384600 47.6542 6.72474 42.92 9.03568 -37.0102 7.35206 39.3092 8.52582 -26.0984 TIMING: 1384600 CPU: 4129.36, 0.00301632/step Wall: 4129.36, 0.00301632/step, 3.02922 hours remaining, 207.226562 MB of memory in use. ENERGY: 1384600 706.8584 2036.4611 1942.3356 108.1186 -206331.3381 17634.4613 0.0000 0.0000 34196.1439 -149706.9593 298.6434 -183903.1032 -149607.1495 297.9322 -91.8893 -63.3452 557431.4637 -5.0751 -5.1515 PRESSURE: 1384800 120.043 140.237 -77.2948 140.237 106.865 -21.2588 -77.2952 -21.259 -203.755 GPRESSURE: 1384800 127.179 97.0057 -47.4317 143.508 165.516 -44.5195 -127.366 25.9642 -177.693 PRESSAVG: 1384800 6.85856 3.11635 -28.0472 3.11639 -7.46895 7.98645 -28.0471 7.98651 -2.00597 GPRESSAVG: 1384800 7.52028 1.12014 -27.6693 3.13361 -8.6519 8.30351 -25.0518 9.73747 -1.41232 TIMING: 1384800 CPU: 4129.97, 0.0030213/step Wall: 4129.97, 0.0030213/step, 3.03405 hours remaining, 207.226562 MB of memory in use. ENERGY: 1384800 780.0900 2067.4364 1919.3348 100.1859 -206887.7718 17970.2495 0.0000 0.0000 34175.8965 -149874.5788 298.4666 -184050.4753 -149773.6670 297.8767 7.7175 38.3340 556151.6398 -0.8721 -0.8480 PRESSURE: 1385000 10.2111 129.94 -85.111 129.942 -29.0281 -32.6331 -85.111 -32.634 -58.0445 GPRESSURE: 1385000 94.2389 149.838 -59.5992 125.181 -32.0351 -22.2172 -61.3278 -142.433 -43.5532 PRESSAVG: 1385000 -0.674028 106.651 -7.52944 106.651 81.7052 16.2894 -7.52943 16.2894 -39.244 GPRESSAVG: 1385000 -0.819601 109.28 -8.01049 104.667 82.3718 16.2945 -8.48308 14.0978 -39.9016 TIMING: 1385000 CPU: 4130.57, 0.00304201/step Wall: 4130.57, 0.00304201/step, 3.05469 hours remaining, 207.226562 MB of memory in use. ENERGY: 1385000 725.1788 2068.1157 1949.1372 93.6999 -206539.6025 17914.5182 0.0000 0.0000 34053.7384 -149735.2143 297.3998 -183788.9527 -149636.6132 297.6480 -25.6205 6.2169 557371.0464 13.9291 13.8835 PRESSURE: 1385200 268.834 -54.9955 30.649 -54.9951 -94.222 134.88 30.6481 134.879 -177.367 GPRESSURE: 1385200 320.599 -38.8434 37.135 -63.4693 -116.485 220.593 15.0753 112.839 -100.933 PRESSAVG: 1385200 35.0288 57.4 -11.9422 57.4 -43.6365 28.1349 -11.9421 28.1349 -5.36773 GPRESSAVG: 1385200 35.1247 56.3051 -12.5919 58.9085 -43.9966 29.1975 -11.0446 28.623 -5.0425 TIMING: 1385200 CPU: 4131.18, 0.00300781/step Wall: 4131.18, 0.00300781/step, 3.02018 hours remaining, 207.226562 MB of memory in use. ENERGY: 1385200 756.7313 2007.2420 1956.7702 113.2020 -206445.2838 17852.9146 0.0000 0.0000 33996.7743 -149761.6494 296.9023 -183758.4238 -149662.4173 297.9054 -0.9182 34.3937 557468.3719 -4.6585 -4.6381 PRESSURE: 1385400 73.3714 -37.4659 115.919 -37.4674 39.7529 39.7936 115.919 39.7942 5.42332 GPRESSURE: 1385400 112.397 -36.673 173.596 -93.7828 87.7504 56.5048 9.97759 37.2692 14.7127 PRESSAVG: 1385400 8.32118 9.31148 63.5113 9.31147 -61.2663 19.2617 63.5114 19.2617 18.7128 GPRESSAVG: 1385400 9.4417 11.8701 62.7859 5.78933 -61.6264 19.679 64.555 18.6863 17.6933 TIMING: 1385400 CPU: 4131.78, 0.00301968/step Wall: 4131.78, 0.00301968/step, 3.03193 hours remaining, 207.226562 MB of memory in use. ENERGY: 1385400 733.8875 2098.7876 1920.1178 131.4404 -206460.0202 17886.8959 0.0000 0.0000 34190.1645 -149498.7265 298.5912 -183688.8910 -149405.3068 298.2660 39.5159 71.6200 558028.1089 -11.4108 -11.4971 PRESSURE: 1385600 -58.9724 77.8277 57.265 77.8266 -256.49 82.7339 57.2636 82.7345 -99.9496 GPRESSURE: 1385600 -39.6642 15.5253 86.1339 127.351 -227.064 107.478 119.651 -18.1641 -51.8827 PRESSAVG: 1385600 8.87848 -26.9674 7.20364 -26.9674 -51.3747 -15.6728 7.20372 -15.6728 119.764 GPRESSAVG: 1385600 8.22719 -28.436 8.29641 -23.1557 -51.9365 -16.9274 6.75379 -15.1806 121.092 TIMING: 1385600 CPU: 4132.39, 0.00303714/step Wall: 4132.39, 0.00303714/step, 3.04928 hours remaining, 207.226562 MB of memory in use. ENERGY: 1385600 735.8717 2052.1790 1925.2619 106.4007 -205965.0486 17485.5802 0.0000 0.0000 34251.9781 -149407.7770 299.1310 -183659.7551 -149310.1471 298.6133 -138.4707 -106.2036 558443.5048 25.7561 25.7944 PRESSURE: 1385800 -186.186 71.4139 -173.642 71.4131 -231.091 -76.0185 -173.643 -76.0183 -131.173 GPRESSURE: 1385800 -203.554 11.3834 -211.451 79.7609 -145.377 -38.3902 -149.337 -107.688 -105.738 PRESSAVG: 1385800 30.6652 24.7247 -1.61011 24.7248 -7.57902 -66.0667 -1.61013 -66.0667 -42.7078 GPRESSAVG: 1385800 31.1336 23.2525 -4.40134 26.184 -5.49344 -65.7259 -1.14554 -66.0817 -44.7595 TIMING: 1385800 CPU: 4132.98, 0.0029743/step Wall: 4132.98, 0.0029743/step, 2.98603 hours remaining, 207.226562 MB of memory in use. ENERGY: 1385800 731.0145 2065.2479 1935.0244 100.8620 -205845.6122 17461.5589 0.0000 0.0000 34104.6142 -149447.2902 297.8441 -183551.9044 -149353.5131 298.5145 -182.8166 -151.5561 557515.5597 -6.5405 -6.3731 PRESSURE: 1386000 -194.85 18.9768 -188.185 18.976 -2.0471 59.5112 -188.184 59.5126 -28.4626 GPRESSURE: 1386000 -146.006 56.0211 -250.079 39.343 13.7197 13.9071 -131.434 57.3498 12.3238 PRESSAVG: 1386000 -25.1462 34.8456 -17.7123 34.8456 23.4867 -39.7372 -17.7124 -39.7372 -1.23635 GPRESSAVG: 1386000 -25.2212 33.7149 -14.0527 33.6155 23.3021 -39.2819 -19.2038 -40.4173 -0.556661 TIMING: 1386000 CPU: 4133.59, 0.0030277/step Wall: 4133.59, 0.0030277/step, 3.03948 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1386000 711.4045 2083.7252 1896.8599 101.6335 -205960.6978 17611.8467 0.0000 0.0000 34012.8047 -149542.4232 297.0423 -183555.2279 -149444.3748 298.4095 -75.1200 -39.9875 557105.8034 -0.9653 -0.8253 PRESSURE: 1386200 29.3805 -68.3814 -33.7899 -68.3812 100.353 14.6792 -33.7885 14.6813 -71.5856 GPRESSURE: 1386200 39.7472 -125.692 -119.195 1.31124 155.919 6.79119 21.6705 -40.0457 -33.1742 PRESSAVG: 1386200 -27.0932 11.7122 6.25068 11.7122 -6.18844 -15.1398 6.25065 -15.1398 39.5906 GPRESSAVG: 1386200 -26.7635 13.0806 5.94081 11.835 -6.93997 -16.3747 4.46779 -15.0913 40.4716 TIMING: 1386200 CPU: 4134.2, 0.00304013/step Wall: 4134.2, 0.00304013/step, 3.05178 hours remaining, 207.226562 MB of memory in use. ENERGY: 1386200 723.5177 2001.4889 1923.4789 109.3222 -206631.1013 18042.9656 0.0000 0.0000 34279.3262 -149551.0018 299.3699 -183830.3280 -149447.5407 298.3074 19.3828 54.1639 557095.5234 2.1030 2.2560 PRESSURE: 1386400 18.1434 -16.1675 117.614 -16.1675 -293.001 11.9298 117.615 11.93 -27.3479 GPRESSURE: 1386400 7.30151 -7.6343 34.29 -5.94022 -199.21 51.0137 159.016 20.9992 -25.1084 PRESSAVG: 1386400 -3.57045 35.6022 -11.1726 35.6022 48.004 -53.8612 -11.1725 -53.8611 -17.7924 GPRESSAVG: 1386400 -3.41713 34.2534 -10.3335 35.6908 47.825 -53.2613 -8.94019 -54.4593 -17.6798 TIMING: 1386400 CPU: 4134.8, 0.00300397/step Wall: 4134.8, 0.00300397/step, 3.01532 hours remaining, 207.226562 MB of memory in use. ENERGY: 1386400 757.3355 2075.7817 1916.0685 111.4128 -206186.1963 17692.3319 0.0000 0.0000 33997.8179 -149635.4479 296.9114 -183633.2659 -149540.0833 298.3936 -100.7352 -72.3389 557326.8298 8.8804 8.9094 PRESSURE: 1386600 -103.486 35.7931 32.6239 35.7919 -83.1567 -131.057 32.6233 -131.055 73.8728 GPRESSURE: 1386600 -40.6816 36.1121 30.227 91.4994 -88.0442 -91.821 64.5158 -109.596 117.424 PRESSAVG: 1386600 -5.39623 -25.4382 34.6061 -25.4382 -11.8119 -47.881 34.6062 -47.881 36.2631 GPRESSAVG: 1386600 -5.8262 -24.0874 32.4285 -26.5985 -10.6333 -48.9402 33.103 -44.3252 35.2425 TIMING: 1386600 CPU: 4135.4, 0.00300813/step Wall: 4135.4, 0.00300813/step, 3.01933 hours remaining, 207.226562 MB of memory in use. ENERGY: 1386600 760.5383 2103.7024 1893.9924 111.4464 -206521.5662 17891.8035 0.0000 0.0000 34171.8907 -149588.1924 298.4316 -183760.0831 -149492.1127 298.6005 -37.5898 -3.7673 556414.1319 6.3517 6.2610 PRESSURE: 1386800 -196.205 26.0609 87.4105 26.0609 -263.128 -82.389 87.4102 -82.3905 -163.687 GPRESSURE: 1386800 -174.252 33.1856 66.7251 -0.0777995 -243.717 -177.304 66.2306 -47.0309 -103.38 PRESSAVG: 1386800 -16.3416 -30.3852 -29.7299 -30.3852 23.549 -3.24554 -29.73 -3.24573 1.48899 GPRESSAVG: 1386800 -16.5401 -28.7387 -30.9549 -33.9573 22.4115 -0.240398 -27.4213 -4.81424 2.8058 TIMING: 1386800 CPU: 4135.99, 0.00298381/step Wall: 4135.99, 0.00298381/step, 2.99475 hours remaining, 207.226562 MB of memory in use. ENERGY: 1386800 759.5307 2010.9726 1879.1394 109.2044 -206182.4974 17706.0907 0.0000 0.0000 34182.8624 -149534.6972 298.5274 -183717.5595 -149433.4520 299.0734 -207.6736 -173.7829 556865.2609 2.8988 2.8924 PRESSURE: 1387000 188.286 -66.4184 128.696 -66.4183 174.341 -3.29763 128.696 -3.29659 288.061 GPRESSURE: 1387000 173.182 -113.814 104.509 -115.947 221.832 -74.3446 222.315 73.3789 346.722 PRESSAVG: 1387000 -46.4104 51.6898 51.9669 51.6897 41.6376 -37.5743 51.9669 -37.5743 -2.5646 GPRESSAVG: 1387000 -45.6589 49.2443 53.5693 54.5111 41.402 -39.3299 51.3362 -36.8124 -3.09626 TIMING: 1387000 CPU: 4136.59, 0.002999/step Wall: 4136.59, 0.002999/step, 3.00983 hours remaining, 207.226562 MB of memory in use. ENERGY: 1387000 718.7909 2064.5673 1909.4762 95.2195 -206429.2404 18100.7869 0.0000 0.0000 34072.9357 -149467.4640 297.5674 -183540.3997 -149372.3599 298.4566 216.8959 247.2452 557361.6189 -2.4458 -2.4510 PRESSURE: 1387200 178.411 22.3353 169.419 22.3342 -210.622 111.188 169.419 111.185 66.5077 GPRESSURE: 1387200 222.976 -30.0324 132.118 -4.82729 -174.298 99.4583 242.252 104.163 79.3404 PRESSAVG: 1387200 9.19883 1.2622 21.9064 1.26215 -26.7134 -16.6566 21.9064 -16.6567 65.9192 GPRESSAVG: 1387200 10.1991 1.9118 21.8769 0.440912 -26.8763 -16.6771 21.5245 -16.33 65.6562 TIMING: 1387200 CPU: 4137.19, 0.00299858/step Wall: 4137.19, 0.00299858/step, 3.00925 hours remaining, 207.226562 MB of memory in use. ENERGY: 1387200 739.5109 2107.2232 1905.0798 117.5079 -206500.9225 17820.7505 0.0000 0.0000 34411.3412 -149399.5090 300.5228 -183810.8502 -149295.6214 298.9269 11.4323 42.6727 557103.8140 16.1349 16.3263 PRESSURE: 1387400 -8.85401 110.08 -63.1613 110.08 148.413 -19.4443 -63.1613 -19.4449 -4.66976 GPRESSURE: 1387400 -17.4175 84.8029 -20.4649 161.717 169.631 -11.8784 -72.1459 -70.1474 73.7489 PRESSAVG: 1387400 13.6294 -52.6601 17.5967 -52.66 -40.9346 -37.0906 17.5967 -37.0907 49.4615 GPRESSAVG: 1387400 11.4945 -53.8556 17.0379 -50.5155 -39.7809 -36.2026 17.909 -37.9 50.412 TIMING: 1387400 CPU: 4137.79, 0.00299541/step Wall: 4137.79, 0.00299541/step, 3.00589 hours remaining, 207.226562 MB of memory in use. ENERGY: 1387400 742.7037 2123.5059 1897.6686 108.0934 -206535.5544 17837.5160 0.0000 0.0000 34421.4467 -149404.6202 300.6111 -183826.0669 -149307.4647 299.1736 44.9631 75.3210 558271.3800 7.3854 7.3752 PRESSURE: 1387600 -9.42577 102.168 -42.4586 102.169 -84.3735 -62.4891 -42.4603 -62.4855 44.8654 GPRESSURE: 1387600 78.094 86.9921 -103.487 107.734 -73.6273 -100.024 14.7127 79.6112 38.8403 PRESSAVG: 1387600 -32.9049 -25.5865 24.3584 -25.5864 50.0061 -77.4806 24.3584 -77.4806 -10.5878 GPRESSAVG: 1387600 -31.9757 -24.9295 25.5973 -26.1132 49.1826 -77.0755 23.2043 -76.9854 -10.3241 TIMING: 1387600 CPU: 4138.39, 0.00299953/step Wall: 4138.39, 0.00299953/step, 3.00986 hours remaining, 207.226562 MB of memory in use. ENERGY: 1387600 740.9186 2085.8254 1929.6871 111.8911 -206643.9420 18055.9197 0.0000 0.0000 34219.9721 -149499.7281 298.8515 -183719.7002 -149394.9065 299.0262 -16.3113 14.4357 558457.0291 2.1711 2.2943 PRESSURE: 1387800 291.452 53.4282 132.567 53.4284 -46.7102 117.051 132.567 117.054 16.5648 GPRESSURE: 1387800 294.299 -4.04294 114.617 67.0308 -29.7227 68.2573 108.111 73.8846 88.1353 PRESSAVG: 1387800 26.2447 23.8702 -41.4108 23.8701 -36.5554 17.6115 -41.4108 17.6116 -2.09005 GPRESSAVG: 1387800 24.5376 22.0908 -44.9353 25.0001 -35.4318 15.8052 -39.919 17.388 -1.69484 TIMING: 1387800 CPU: 4138.99, 0.00298476/step Wall: 4138.99, 0.00298476/step, 2.99488 hours remaining, 207.226562 MB of memory in use. ENERGY: 1387800 736.8626 2146.8643 1964.9767 106.3274 -206586.0906 18040.3863 0.0000 0.0000 34172.4421 -149418.2313 298.4364 -183590.6734 -149317.1226 299.1043 87.1021 117.5705 557484.1986 -4.1336 -4.1963 PRESSURE: 1388000 -262.498 -107.763 -63.5711 -107.762 -355.38 -197.884 -63.5713 -197.883 -436.81 GPRESSURE: 1388000 -261.029 -81.328 -24.984 -47.0279 -320.927 -172.328 25.0096 -153.641 -366.082 PRESSAVG: 1388000 -36.5607 11.0366 -3.24559 11.0366 15.0455 -25.834 -3.24551 -25.8339 39.4794 GPRESSAVG: 1388000 -35.6247 12.9964 -1.11498 10.7026 15.2451 -26.0686 -5.98143 -24.6462 39.0165 TIMING: 1388000 CPU: 4139.58, 0.00296853/step Wall: 4139.58, 0.00296853/step, 2.97842 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1388000 783.8512 2061.8658 1935.8434 112.3746 -205856.9522 17364.5959 0.0000 0.0000 34130.8662 -149467.5552 298.0733 -183598.4214 -149370.6202 298.9697 -351.5625 -316.0128 559513.5565 5.9881 6.2123 PRESSURE: 1388200 164.63 -138.972 26.563 -138.973 150.402 -123.703 26.563 -123.702 24.2103 GPRESSURE: 1388200 202.018 -209.1 -141.16 -121.642 216.716 -145.688 9.91903 -114.503 6.98892 PRESSAVG: 1388200 -18.6471 -2.25949 78.9817 -2.25946 37.5815 19.3316 78.9817 19.3315 -33.1506 GPRESSAVG: 1388200 -17.7204 -3.71305 78.5288 -3.07132 36.4901 19.5903 79.9124 19.5819 -33.7657 TIMING: 1388200 CPU: 4140.18, 0.00296937/step Wall: 4140.18, 0.00296937/step, 2.97911 hours remaining, 207.226562 MB of memory in use. ENERGY: 1388200 719.5098 2092.5411 1927.6591 103.7254 -206731.9659 18055.9854 0.0000 0.0000 34442.1327 -149390.4124 300.7917 -183832.5451 -149292.4536 298.0977 113.0808 141.9073 557226.0379 -4.7388 -4.9987 LDB: ============= START OF LOAD BALANCING ============== 4143.73 LDB: ============== END OF LOAD BALANCING =============== 4143.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4143.73 LDB: ============= START OF LOAD BALANCING ============== 4144.03 LDB: Largest compute 4796 load 0.026687 is 22.6% of average load 0.118159 LDB: Average compute 0.001725 is 1.5% of average load 0.118159 LDB: TIME 4144.03 LOAD: AVG 0.118159 MAX 0.21183 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.996 MB LDB: TIME 4144.03 LOAD: AVG 0.118159 MAX 0.21183 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.199 MB LDB: TIME 4144.03 LOAD: AVG 0.118159 MAX 0.21183 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.199 MB LDB: ============== END OF LOAD BALANCING =============== 4144.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4144.04 PRESSURE: 1388400 -217.805 -54.2984 76.0346 -54.2978 -70.5815 50.3812 76.0335 50.3826 -280.308 GPRESSURE: 1388400 -200.479 -69.8442 83.2388 -42.1656 -66.6278 -8.33183 86.2343 30.664 -207.8 PRESSAVG: 1388400 57.752 -8.05926 -26.2261 -8.0592 2.40177 19.0338 -26.2261 19.0339 -24.9505 GPRESSAVG: 1388400 57.025 -6.01283 -26.3055 -7.73838 2.52811 20.0285 -26.1206 17.7589 -24.3967 TIMING: 1388400 CPU: 4140.79, 0.00304303/step Wall: 4140.79, 0.00304303/step, 3.05284 hours remaining, 208.187500 MB of memory in use. ENERGY: 1388400 772.8946 2102.5993 1942.1518 113.1630 -206250.6938 17862.7700 0.0000 0.0000 34036.8129 -149420.3023 297.2520 -183457.1151 -149323.1369 299.6011 -189.5651 -158.3024 557275.5895 11.7344 11.7188 PRESSURE: 1388600 286.387 -6.70152 -33.8184 -6.70274 154.196 94.0157 -33.8178 94.0133 106.903 GPRESSURE: 1388600 349.603 -5.38146 -119.611 11.7555 208.524 141.724 -5.7802 141.762 79.931 PRESSAVG: 1388600 66.3576 -23.9094 34.5732 -23.9094 -27.78 1.3974 34.5732 1.39747 -32.6473 GPRESSAVG: 1388600 67.2916 -23.5167 34.5343 -24.424 -27.2673 0.0499058 34.5175 2.31942 -34.3416 TIMING: 1388600 CPU: 4141.39, 0.00300873/step Wall: 4141.39, 0.00300873/step, 3.01826 hours remaining, 208.328125 MB of memory in use. ENERGY: 1388600 772.9624 2051.2012 1916.3231 103.1190 -206397.2180 18058.3974 0.0000 0.0000 34109.8201 -149385.3948 297.8895 -183495.2149 -149295.7369 299.1627 182.4954 212.6858 556862.4039 1.9768 1.8943 PRESSURE: 1388800 -492.282 99.794 134.781 99.7943 -67.2343 15.3159 134.781 15.3156 -187.506 GPRESSURE: 1388800 -458.007 57.1317 223.57 140.115 -69.6646 12.6995 107.988 4.6143 -112.665 PRESSAVG: 1388800 -50.7336 -16.8992 -42.7545 -16.8992 46.5159 64.2342 -42.7545 64.2341 13.5084 GPRESSAVG: 1388800 -51.9826 -20.1764 -40.4485 -16.759 47.3352 65.9239 -45.3121 61.0412 14.513 TIMING: 1388800 CPU: 4141.99, 0.00299517/step Wall: 4141.99, 0.00299517/step, 3.00449 hours remaining, 208.328125 MB of memory in use. ENERGY: 1388800 793.3374 2087.7965 1924.9509 114.0398 -206287.3571 17650.8568 0.0000 0.0000 34445.9731 -149270.4026 300.8253 -183716.3757 -149173.0329 299.0547 -249.0075 -213.4455 557239.8805 3.0969 3.2886 PRESSURE: 1389000 -11.8586 105.783 91.6232 105.784 45.0632 -118.71 91.6237 -118.71 -37.3397 GPRESSURE: 1389000 -27.0487 -11.3506 74.8085 195.48 103.742 -149.084 93.833 -126.289 4.81151 PRESSAVG: 1389000 -98.7112 32.9543 1.15848 32.9542 29.4138 -15.2558 1.15852 -15.2559 18.4986 GPRESSAVG: 1389000 -97.7561 35.6306 -0.51006 32.3332 27.5004 -13.3068 3.99992 -13.7264 19.2357 TIMING: 1389000 CPU: 4142.59, 0.00300603/step Wall: 4142.59, 0.00300603/step, 3.01521 hours remaining, 208.328125 MB of memory in use. ENERGY: 1389000 718.0715 2109.2017 1923.8281 102.3273 -206438.6332 17838.9000 0.0000 0.0000 34385.2208 -149361.0838 300.2947 -183746.3046 -149270.1351 299.1970 -1.3784 27.1683 556333.6896 -16.9329 -17.0066 PRESSURE: 1389200 -258.23 2.84968 17.134 2.8507 -118.013 -118.897 17.1346 -118.898 -206.891 GPRESSURE: 1389200 -262.074 -18.7227 98.0965 -0.786425 -89.4571 -89.3624 47.0479 -130.016 -141.096 PRESSAVG: 1389200 -47.1725 61.9662 -21.0865 61.9662 25.8554 -48.2451 -21.0864 -48.2451 -29.4926 GPRESSAVG: 1389200 -46.1422 60.4011 -21.7879 62.627 25.9339 -50.2671 -22.1538 -48.8699 -30.8539 TIMING: 1389200 CPU: 4143.19, 0.00299337/step Wall: 4143.19, 0.00299337/step, 3.00235 hours remaining, 208.328125 MB of memory in use. ENERGY: 1389200 759.7931 2090.5529 1899.2465 125.3304 -205948.9842 17518.1705 0.0000 0.0000 34268.3455 -149287.5454 299.2740 -183555.8909 -149191.2237 299.2330 -194.3778 -164.2091 557325.6628 -16.9365 -17.0207 PRESSURE: 1389400 238.798 -136.556 -184.262 -136.556 325.268 32.2679 -184.262 32.2688 86.5341 GPRESSURE: 1389400 257.651 -95.7083 -127.565 -148.45 335.56 -5.37911 -258.144 103.105 153.041 PRESSAVG: 1389400 -19.2801 7.7665 -34.315 7.76646 14.349 -17.6197 -34.315 -17.6197 18.0207 GPRESSAVG: 1389400 -21.1286 8.14735 -34.2552 7.68269 15.6061 -19.5956 -33.8177 -15.3024 18.4119 TIMING: 1389400 CPU: 4143.78, 0.00298343/step Wall: 4143.78, 0.00298343/step, 2.99221 hours remaining, 208.328125 MB of memory in use. ENERGY: 1389400 738.1058 2029.8284 1931.3792 113.6552 -206255.1643 17903.4074 0.0000 0.0000 34228.7118 -149310.0764 298.9279 -183538.7882 -149214.4632 298.5746 216.8669 248.7505 556128.3645 4.3632 4.2965 PRESSURE: 1389600 -104.429 58.5086 29.7497 58.5078 223.918 58.7474 29.7491 58.7494 -98.744 GPRESSURE: 1389600 -50.2528 -7.92314 42.6516 74.4544 192.159 67.5936 21.1698 0.617798 -25.5518 PRESSAVG: 1389600 -4.7048 11.6248 -21.4672 11.6248 8.51407 25.0995 -21.4673 25.0996 -7.18026 GPRESSAVG: 1389600 -3.53805 11.8173 -19.9172 10.1864 8.35188 27.6622 -21.3202 22.6303 -7.64897 TIMING: 1389600 CPU: 4144.38, 0.00298769/step Wall: 4144.38, 0.00298769/step, 2.99632 hours remaining, 208.328125 MB of memory in use. ENERGY: 1389600 718.5134 1992.7575 1905.6343 112.8875 -206217.1740 18082.7045 0.0000 0.0000 34076.3441 -149328.3326 297.5972 -183404.6767 -149229.9411 298.5826 6.9148 38.7847 558251.2707 -1.1237 -0.9450 PRESSURE: 1389800 159.422 -14.217 146.216 -14.2171 10.1409 -2.56619 146.216 -2.56545 -307.537 GPRESSURE: 1389800 161.779 5.15334 -11.4688 -10.5997 47.5979 8.08141 274.456 22.2844 -244.487 PRESSAVG: 1389800 -23.6314 -22.5646 -90.9229 -22.5647 88.198 -6.95208 -90.9228 -6.95204 -14.1621 GPRESSAVG: 1389800 -22.7149 -24.7828 -92.4993 -19.5693 87.7784 -9.66919 -89.5257 -4.84667 -14.7699 TIMING: 1389800 CPU: 4144.98, 0.00297484/step Wall: 4144.98, 0.00297484/step, 2.98327 hours remaining, 208.328125 MB of memory in use. ENERGY: 1389800 755.3968 2068.5284 1931.2157 113.9677 -206464.1616 18009.3609 0.0000 0.0000 34269.6812 -149316.0108 299.2856 -183585.6920 -149223.5367 298.9615 -45.9911 -11.7035 558371.7258 16.8015 16.7645 PRESSURE: 1390000 69.7595 58.6317 60.9587 58.6325 -126.747 -34.3698 60.9591 -34.3696 -90.2651 GPRESSURE: 1390000 89.6287 9.42922 116.659 74.9433 24.4208 -69.4943 26.2611 -4.31066 -167.011 PRESSAVG: 1390000 -13.5237 13.8146 10.6796 13.8146 26.224 -21.8968 10.6795 -21.8969 -49.2704 GPRESSAVG: 1390000 -14.9242 15.1591 11.021 12.8503 26.5092 -21.3203 9.14067 -22.6253 -48.0819 TIMING: 1390000 CPU: 4145.57, 0.00298047/step Wall: 4145.57, 0.00298047/step, 2.98874 hours remaining, 208.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1390000 731.6713 2079.3053 1948.1624 121.4237 -206179.6325 17748.4945 0.0000 0.0000 34195.4811 -149355.0942 298.6376 -183550.5753 -149254.4609 298.4147 -49.0841 -17.6539 558451.5376 -12.1900 -12.1656 PRESSURE: 1390200 -36.8525 71.1336 28.4226 71.1336 -51.4554 -247.255 28.4236 -247.256 -91.0053 GPRESSURE: 1390200 -9.15709 75.9549 80.6656 98.4637 -2.43171 -305.564 -50.6412 -209.615 -63.5612 PRESSAVG: 1390200 6.58086 1.58756 -44.5043 1.58755 53.2161 53.6827 -44.5043 53.6826 -42.498 GPRESSAVG: 1390200 7.58262 2.55744 -43.1694 -0.17881 53.3694 54.1894 -44.6712 52.7848 -44.1057 TIMING: 1390200 CPU: 4146.17, 0.00300707/step Wall: 4146.17, 0.00300707/step, 3.01525 hours remaining, 208.328125 MB of memory in use. ENERGY: 1390200 723.3809 2064.2093 1923.8023 107.6375 -205988.3988 17669.4477 0.0000 0.0000 34243.9304 -149255.9907 299.0608 -183499.9210 -149156.3379 299.2938 -59.7711 -25.0500 557935.8760 5.7663 5.6154 PRESSURE: 1390400 79.9234 93.4579 97.9357 93.4562 -287.467 12.2316 97.9382 12.2314 35.773 GPRESSURE: 1390400 131.865 108.661 47.2931 20.8497 -274.873 49.443 152.522 -57.6944 74.8883 PRESSAVG: 1390400 -30.7555 -51.7523 -33.7435 -51.7524 -53.5469 -8.53992 -33.7436 -8.53988 45.1057 GPRESSAVG: 1390400 -31.2297 -51.3807 -33.6998 -51.9278 -54.2544 -8.73397 -32.6555 -8.29176 45.9112 TIMING: 1390400 CPU: 4146.77, 0.00298356/step Wall: 4146.77, 0.00298356/step, 2.99151 hours remaining, 208.328125 MB of memory in use. ENERGY: 1390400 775.3706 2021.4296 1888.1328 109.7695 -206088.8009 17718.1131 0.0000 0.0000 34121.9833 -149454.0019 297.9958 -183575.9853 -149364.2079 299.1170 -57.2569 -22.7066 558295.4439 -13.0656 -13.1910 PRESSURE: 1390600 158.477 65.9317 51.2156 65.9318 -56.4521 -18.7479 51.2167 -18.7482 -115.98 GPRESSURE: 1390600 151.797 126.303 41.8221 115.51 1.78075 -1.01795 -7.02593 51.0301 -54.6462 PRESSAVG: 1390600 -20.096 -29.737 -4.04002 -29.7368 -16.6052 -60.0256 -4.04003 -60.0256 10.6471 GPRESSAVG: 1390600 -19.332 -29.5435 -4.66417 -29.0915 -16.9497 -57.4391 -3.36597 -59.7609 10.6486 TIMING: 1390600 CPU: 4147.37, 0.00300752/step Wall: 4147.37, 0.00300752/step, 3.01538 hours remaining, 208.328125 MB of memory in use. ENERGY: 1390600 750.7519 2054.9519 1920.8772 116.4898 -206229.0435 17847.0139 0.0000 0.0000 34097.4860 -149441.4728 297.7818 -183538.9588 -149341.8948 299.0107 -4.6519 32.9773 558673.3151 -8.6847 -8.5443 PRESSURE: 1390800 63.0262 -36.4764 -197.245 -36.4771 303.645 -59.6515 -197.245 -59.6516 -126.252 GPRESSURE: 1390800 105.409 -122.867 -166.199 1.6401 300.521 -50.3251 -129.146 -148.027 -82.9929 PRESSAVG: 1390800 -38.2117 17.2167 -26.5238 17.2167 30.8102 -53.8935 -26.5239 -53.8936 -5.57934 GPRESSAVG: 1390800 -38.4825 15.2629 -28.4988 19.0821 31.9128 -55.505 -25.3986 -55.8727 -6.03554 TIMING: 1390800 CPU: 4147.97, 0.00301168/step Wall: 4147.97, 0.00301168/step, 3.01937 hours remaining, 208.328125 MB of memory in use. ENERGY: 1390800 749.3772 2075.5598 1889.1297 100.4654 -206270.5848 17991.4739 0.0000 0.0000 34148.3814 -149316.1974 298.2263 -183464.5787 -149222.3680 298.1722 80.1397 107.6457 557966.6181 -4.3269 -4.2018 PRESSURE: 1391000 110.647 81.4458 1.05426 81.4459 -5.87707 146.472 1.05441 146.472 72.1416 GPRESSURE: 1391000 88.6472 30.9773 5.88723 85.876 83.0708 196.735 -56.286 104.267 101.369 PRESSAVG: 1391000 -42.6541 -8.78015 -9.97069 -8.7801 54.5181 -21.167 -9.97062 -21.167 26.4453 GPRESSAVG: 1391000 -42.7726 -8.26783 -7.82311 -9.99851 54.5412 -20.1243 -13.513 -19.6888 25.9417 TIMING: 1391000 CPU: 4148.57, 0.00299211/step Wall: 4148.57, 0.00299211/step, 2.99959 hours remaining, 208.328125 MB of memory in use. ENERGY: 1391000 734.6105 2088.1403 1906.3822 103.2140 -206629.5373 18179.8334 0.0000 0.0000 34389.2992 -149228.0578 300.3303 -183617.3569 -149130.1937 298.7260 58.9705 91.0290 559560.1438 12.7697 12.5701 PRESSURE: 1391200 265.459 -174.117 -83.7955 -174.117 72.4607 23.6535 -83.7958 23.6523 -122.376 GPRESSURE: 1391200 319.919 -207.486 54.4625 -134.25 127.642 45.1551 -153.188 115.245 -131.256 PRESSAVG: 1391200 -62.3324 -16.2616 10.7557 -16.2616 60.235 13.9459 10.7558 13.9459 -13.5069 GPRESSAVG: 1391200 -61.5495 -15.4366 9.74139 -16.1464 58.7479 12.941 12.3906 13.5087 -12.61 TIMING: 1391200 CPU: 4149.17, 0.00299151/step Wall: 4149.17, 0.00299151/step, 2.99882 hours remaining, 208.328125 MB of memory in use. ENERGY: 1391200 757.7778 2056.4367 1937.8661 107.1786 -206286.0850 17967.3649 0.0000 0.0000 34214.4729 -149244.9881 298.8035 -183459.4609 -149142.7701 298.2551 71.8477 105.4350 559425.9683 -5.2014 -5.1372 PRESSURE: 1391400 -276.049 113.788 24.9874 113.789 -59.8322 -17.4519 24.989 -17.453 -182.14 GPRESSURE: 1391400 -252.361 68.2819 -28.9308 185.481 -28.9616 42.069 34.2557 -36.5059 -120.729 PRESSAVG: 1391400 -55.1064 17.0362 4.82751 17.0363 23.6333 -26.6786 4.82754 -26.6784 19.371 GPRESSAVG: 1391400 -54.6573 17.6101 4.80404 17.6067 22.9198 -26.5234 4.38914 -27.0816 19.9908 TIMING: 1391400 CPU: 4149.77, 0.0029804/step Wall: 4149.77, 0.0029804/step, 2.98752 hours remaining, 208.328125 MB of memory in use. ENERGY: 1391400 725.9743 2083.6648 1919.1888 112.1379 -205795.3485 17516.0421 0.0000 0.0000 34256.1903 -149182.1501 299.1678 -183438.3404 -149088.9539 299.4036 -172.6738 -134.0175 558984.3002 -4.0340 -3.9156 PRESSURE: 1391600 -170.996 -69.8023 162.522 -69.8016 -121.157 26.5414 162.522 26.5422 -207.462 GPRESSURE: 1391600 -96.2616 -85.4856 202.624 11.4989 -116.179 -36.1107 59.7699 36.8421 -186.505 PRESSAVG: 1391600 -4.18903 0.486389 6.45364 0.486307 5.86784 -64.5033 6.4536 -64.5034 -15.106 GPRESSAVG: 1391600 -3.91058 0.307886 7.2758 -0.256296 6.71761 -63.1395 6.6821 -63.3255 -15.9459 TIMING: 1391600 CPU: 4150.37, 0.00301736/step Wall: 4150.37, 0.00301736/step, 3.0244 hours remaining, 208.328125 MB of memory in use. ENERGY: 1391600 751.5877 2017.8911 1913.6670 102.0080 -205724.7062 17584.2323 0.0000 0.0000 34095.9318 -149259.3883 297.7683 -183355.3201 -149163.8167 299.0256 -166.5382 -132.9819 558896.6528 -4.4757 -4.3796 PRESSURE: 1391800 -68.2564 9.22895 -29.3166 9.22953 -109.248 -45.7809 -29.3169 -45.7806 -90.5538 GPRESSURE: 1391800 -39.0918 -11.1171 -55.3984 -9.186 -20.0509 10.6033 -24.057 -62.5599 -115.599 PRESSAVG: 1391800 25.4091 -2.50193 11.2376 -2.50191 -5.15051 1.1191 11.2376 1.11904 24.7017 GPRESSAVG: 1391800 23.7054 -3.21241 11.2951 -2.52699 -3.91011 -0.149921 10.3803 1.73683 25.4663 TIMING: 1391800 CPU: 4150.97, 0.00301121/step Wall: 4150.97, 0.00301121/step, 3.01807 hours remaining, 208.328125 MB of memory in use. ENERGY: 1391800 729.7173 2086.6441 1956.1366 124.4250 -206199.8312 17786.4510 0.0000 0.0000 34370.6583 -149145.7988 300.1675 -183516.4571 -149046.5891 300.1614 -89.3527 -58.2472 557922.3390 14.9868 15.0872 PRESSURE: 1392000 -36.9959 122.478 -50.189 122.48 -113.605 117.355 -50.1892 117.354 43.6263 GPRESSURE: 1392000 14.4421 156.536 -56.0391 97.8383 -74.4754 84.4845 9.41546 83.5734 33.9858 PRESSAVG: 1392000 -1.15597 23.0184 13.136 23.0185 -68.7998 11.8801 13.136 11.8802 36.6139 GPRESSAVG: 1392000 0.75254 22.5663 12.2403 23.9124 -70.973 13.0869 14.3111 10.0908 36.5 TIMING: 1392000 CPU: 4151.58, 0.00301622/step Wall: 4151.58, 0.00301622/step, 3.02292 hours remaining, 208.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1392000 717.0095 2096.8478 1955.8285 115.3301 -206140.8862 17823.1148 0.0000 0.0000 34462.9867 -148969.7689 300.9738 -183432.7556 -148879.2685 300.1369 -35.6583 -8.6825 559598.1028 -11.1140 -11.2401 PRESSURE: 1392200 15.4343 39.4563 -60.0213 39.4561 -174.173 78.5188 -60.0218 78.5188 167.859 GPRESSURE: 1392200 53.6149 -84.6921 -67.8941 131.256 -81.4167 82.9281 -84.9996 67.5253 140.022 PRESSAVG: 1392200 -32.4899 31.3219 -9.69063 31.3219 -21.4456 1.5992 -9.69067 1.59922 28.5753 GPRESSAVG: 1392200 -34.3382 30.5962 -10.2266 31.5162 -18.3829 2.86007 -8.75388 1.61534 27.4316 TIMING: 1392200 CPU: 4152.18, 0.00301529/step Wall: 4152.18, 0.00301529/step, 3.02182 hours remaining, 208.328125 MB of memory in use. ENERGY: 1392200 717.4117 2071.1571 1934.1426 117.8192 -205957.1101 17791.7653 0.0000 0.0000 34354.5652 -148970.2490 300.0270 -183324.8142 -148868.4472 300.2515 3.0403 37.4068 559099.5051 -8.4534 -8.4298 LDB: ============= START OF LOAD BALANCING ============== 4155.73 LDB: ============== END OF LOAD BALANCING =============== 4155.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4155.73 LDB: ============= START OF LOAD BALANCING ============== 4156.03 LDB: Largest compute 4796 load 0.026218 is 22.2% of average load 0.118143 LDB: Average compute 0.001734 is 1.5% of average load 0.118143 LDB: TIME 4156.04 LOAD: AVG 0.118143 MAX 0.216872 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.043 MB LDB: TIME 4156.04 LOAD: AVG 0.118143 MAX 0.216872 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.043 MB LDB: TIME 4156.04 LOAD: AVG 0.118143 MAX 0.216872 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.043 MB LDB: ============== END OF LOAD BALANCING =============== 4156.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4156.04 PRESSURE: 1392400 -253.456 63.6872 30.1018 63.6879 -32.4067 -147.628 30.1035 -147.627 -59.8599 GPRESSURE: 1392400 -190.353 72.3131 36.6291 46.4522 -11.1422 -200.669 66.1645 -74.4421 -47.263 PRESSAVG: 1392400 3.37545 17.7616 -16.6366 17.7615 -2.62505 21.8529 -16.6367 21.8528 10.8465 GPRESSAVG: 1392400 4.00811 18.0126 -15.5323 17.6525 -3.84068 20.148 -16.7093 21.4875 11.3753 TIMING: 1392400 CPU: 4152.79, 0.00306182/step Wall: 4152.79, 0.00306182/step, 3.06828 hours remaining, 207.226562 MB of memory in use. ENERGY: 1392400 763.6819 2111.1670 1922.5227 112.3679 -205813.3540 17676.2165 0.0000 0.0000 34177.2108 -149050.1872 298.4781 -183227.3980 -148955.1981 299.7601 -115.2410 -82.9193 558419.5314 3.8656 3.8476 PRESSURE: 1392600 -7.7651 -92.8156 -224.531 -92.8174 -166.412 -160.181 -224.53 -160.184 -99.3164 GPRESSURE: 1392600 2.0338 -65.0268 -262.755 -193.053 -73.7114 -101.877 -250.462 -209.08 -95.8987 PRESSAVG: 1392600 -36.859 11.482 -31.9667 11.4819 85.1955 -91.9313 -31.9667 -91.9314 -41.8716 GPRESSAVG: 1392600 -36.4247 13.6834 -31.1537 8.93834 84.2294 -92.0808 -35.5499 -89.8256 -41.3543 TIMING: 1392600 CPU: 4153.39, 0.00299518/step Wall: 4153.39, 0.00299518/step, 3.00134 hours remaining, 207.226562 MB of memory in use. ENERGY: 1392600 758.0651 2074.3472 1938.5692 111.8176 -205762.1868 17579.5028 0.0000 0.0000 34155.3220 -149144.5628 298.2869 -183299.8849 -149043.0877 299.4884 -91.1643 -55.8588 558468.9529 2.1549 2.1501 PRESSURE: 1392800 9.66743 100.039 9.24133 100.038 -12.2221 -32.6776 9.24247 -32.6774 91.486 GPRESSURE: 1392800 80.6132 95.2963 -65.8152 36.2858 76.0291 -39.5708 -10.9151 38.1251 36.2699 PRESSAVG: 1392800 16.2425 26.6689 -67.6686 26.6689 25.4733 -8.87443 -67.6687 -8.87451 -3.83798 GPRESSAVG: 1392800 17.0578 25.7516 -69.168 28.4607 25.4914 -9.7002 -66.2788 -8.80582 -4.89111 TIMING: 1392800 CPU: 4153.99, 0.00299016/step Wall: 4153.99, 0.00299016/step, 2.99614 hours remaining, 207.226562 MB of memory in use. ENERGY: 1392800 737.9067 2107.3087 1893.6836 109.8800 -206482.2850 18139.1796 0.0000 0.0000 34269.1790 -149225.1475 299.2813 -183494.3265 -149125.4509 299.9640 29.6438 64.3041 558669.3989 12.6259 12.5527 PRESSURE: 1393000 -227.999 -42.0316 -187.041 -42.0315 -148.78 -5.48195 -187.041 -5.48139 -43.4185 GPRESSURE: 1393000 -221.508 -75.5378 -49.9978 2.65103 -88.1752 -76.6354 -116.097 62.2659 -3.27862 PRESSAVG: 1393000 -25.053 -27.5012 -0.373627 -27.5013 -35.4893 45.3553 -0.373576 45.3553 -16.337 GPRESSAVG: 1393000 -26.1609 -29.6178 -0.0301036 -27.5264 -34.4927 44.8272 0.283261 45.5912 -15.9553 TIMING: 1393000 CPU: 4154.59, 0.00301071/step Wall: 4154.59, 0.00301071/step, 3.01656 hours remaining, 207.226562 MB of memory in use. ENERGY: 1393000 739.1346 2155.4426 1938.7329 100.2910 -206551.7622 17906.8379 0.0000 0.0000 34525.3539 -149185.9693 301.5185 -183711.3232 -149087.2653 299.7213 -140.0658 -104.3204 558339.0042 -25.6264 -25.5363 PRESSURE: 1393200 42.4563 -45.9083 10.4255 -45.9085 26.5294 -206.566 10.4253 -206.566 67.9301 GPRESSURE: 1393200 76.9791 -68.8778 -13.7062 -14.2334 29.2025 -247.26 79.8991 -205.854 114.913 PRESSAVG: 1393200 -32.7554 -53.5136 -13.5127 -53.5136 46.2098 -74.9383 -13.5127 -74.9382 -6.06398 GPRESSAVG: 1393200 -31.7635 -50.977 -14.024 -54.6851 44.7706 -71.7012 -12.6787 -77.962 -5.55881 TIMING: 1393200 CPU: 4155.19, 0.00297265/step Wall: 4155.19, 0.00297265/step, 2.97826 hours remaining, 207.226562 MB of memory in use. ENERGY: 1393200 739.0019 2083.7555 1919.6666 110.0391 -206291.4082 18030.1123 0.0000 0.0000 34187.3276 -149221.5051 298.5664 -183408.8327 -149127.5112 299.3430 45.6386 73.6981 558305.2462 2.4635 2.4827 PRESSURE: 1393400 145.865 -34.2849 -108.854 -34.2854 50.3008 171.818 -108.855 171.819 76.5947 GPRESSURE: 1393400 101.352 -90.3821 -53.7938 -8.01788 118.35 155.599 -62.5855 208.673 144.869 PRESSAVG: 1393400 -23.3145 1.42258 -11.6136 1.42255 39.4309 73.4987 -11.6135 73.4987 -8.51882 GPRESSAVG: 1393400 -25.6813 2.42102 -8.90924 2.77019 40.9039 73.4561 -14.1275 74.4634 -8.24158 TIMING: 1393400 CPU: 4155.78, 0.0029791/step Wall: 4155.78, 0.0029791/step, 2.98457 hours remaining, 207.226562 MB of memory in use. ENERGY: 1393400 747.0151 2075.5486 1955.5157 120.9275 -206278.6128 17900.9865 0.0000 0.0000 34300.7435 -149177.8759 299.5569 -183478.6194 -149086.3686 299.3433 90.9201 121.5240 558848.6660 2.5325 2.3270 PRESSURE: 1393600 -0.473214 -96.9973 40.7927 -96.9975 -291.878 50.8739 40.792 50.8738 -37.862 GPRESSURE: 1393600 -30.0909 -55.1829 45.0391 -105.876 -190.605 54.4705 33.3619 95.6748 -17.5343 PRESSAVG: 1393600 6.3691 -2.68719 21.9276 -2.68718 -55.7183 43.6296 21.9275 43.6296 87.5203 GPRESSAVG: 1393600 7.44356 -2.02676 18.9789 -3.70054 -55.3086 41.5738 24.1886 46.1818 86.426 TIMING: 1393600 CPU: 4156.38, 0.00298673/step Wall: 4156.38, 0.00298673/step, 2.99204 hours remaining, 207.226562 MB of memory in use. ENERGY: 1393600 749.6136 2113.7397 1939.5392 117.6189 -206343.9001 17686.0346 0.0000 0.0000 34453.7184 -149283.6357 300.8929 -183737.3541 -149186.9961 299.3632 -110.0711 -79.4101 557824.0523 12.7237 12.8536 PRESSURE: 1393800 -220.138 -183.924 -8.26094 -183.924 -126.732 -96.1576 -8.26022 -96.1595 89.7627 GPRESSURE: 1393800 -160.852 -141.698 -10.5791 -181.089 -111.711 10.1628 -36.9453 -146.125 98.083 PRESSAVG: 1393800 -34.112 -87.3008 7.21007 -87.3008 4.23544 34.7367 7.21008 34.7367 42.8521 GPRESSAVG: 1393800 -35.1732 -89.904 6.85015 -86.0533 4.85922 36.9138 6.9538 30.5466 42.9019 TIMING: 1393800 CPU: 4156.98, 0.00300572/step Wall: 4156.98, 0.00300572/step, 3.0109 hours remaining, 207.226562 MB of memory in use. ENERGY: 1393800 745.7066 2174.3164 1909.0996 121.3315 -206051.9275 17758.8842 0.0000 0.0000 34098.2266 -149244.3627 297.7883 -183342.5893 -149148.8197 299.7044 -85.7024 -58.1600 559076.1416 4.3252 4.1960 PRESSURE: 1394000 4.31727 -28.8852 60.3612 -28.8843 108.321 -81.4808 60.3599 -81.479 57.5797 GPRESSURE: 1394000 14.9555 -3.63439 74.1346 -7.57729 89.5614 -122.987 56.091 7.90287 159.049 PRESSAVG: 1394000 -84.6904 -43.6114 11.4243 -43.6115 33.1891 -28.8003 11.4245 -28.8004 48.2159 GPRESSAVG: 1394000 -82.9164 -41.8199 14.2693 -43.7498 31.238 -29.9848 10.0897 -27.7135 49.2475 TIMING: 1394000 CPU: 4157.58, 0.00298514/step Wall: 4157.58, 0.00298514/step, 2.99011 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1394000 715.2895 2099.6008 1947.3411 119.1128 -206373.8887 17908.8391 0.0000 0.0000 34243.0711 -149340.6343 299.0533 -183583.7054 -149242.9507 299.4331 56.7393 87.8553 557140.0548 -1.0951 -0.8103 PRESSURE: 1394200 156.939 -83.4456 -59.2845 -83.4451 48.1781 -153.021 -59.2855 -153.021 53.7544 GPRESSURE: 1394200 149.403 -90.9229 41.0904 66.7643 117.827 -109.8 -121.045 -211.715 92.5974 PRESSAVG: 1394200 -6.64512 -23.201 -19.7686 -23.201 -15.0388 -15.0581 -19.7685 -15.0581 -8.77543 GPRESSAVG: 1394200 -7.34817 -25.1443 -20.545 -23.7348 -15.1581 -15.5029 -21.1429 -14.1768 -8.12025 TIMING: 1394200 CPU: 4158.17, 0.00298388/step Wall: 4158.17, 0.00298388/step, 2.98869 hours remaining, 207.226562 MB of memory in use. ENERGY: 1394200 724.8560 2089.6103 1923.9805 117.7574 -206549.9110 17982.9809 0.0000 0.0000 34314.6939 -149396.0321 299.6788 -183710.7260 -149296.4873 298.5887 86.2906 119.9425 557187.3924 -10.1531 -10.2088 PRESSURE: 1394400 -53.4309 -130.535 5.38917 -130.534 -43.289 0.0736175 5.38893 0.0732312 -154.427 GPRESSURE: 1394400 -40.7975 -80.7616 41.2059 -167.154 26.5287 -37.8036 -68.3273 49.0103 -136.033 PRESSAVG: 1394400 -2.96009 -23.7678 -20.302 -23.7679 48.366 -42.1879 -20.302 -42.188 -37.2303 GPRESSAVG: 1394400 -2.80965 -22.5613 -20.1012 -26.0156 49.9271 -41.6275 -19.9288 -42.5977 -38.8678 TIMING: 1394400 CPU: 4158.77, 0.00298931/step Wall: 4158.77, 0.00298931/step, 2.99396 hours remaining, 207.226562 MB of memory in use. ENERGY: 1394400 771.0779 2145.4039 1925.5989 119.6667 -206616.7392 17965.3121 0.0000 0.0000 34579.5708 -149110.1087 301.9920 -183689.6795 -149014.8831 299.3199 -83.7157 -50.1005 557318.0284 2.7252 2.7499 PRESSURE: 1394600 59.498 115.132 -38.4551 115.132 161.676 48.0852 -38.4559 48.0856 -232.053 GPRESSURE: 1394600 127.383 165.567 -23.1113 154.232 153.196 -6.15473 -7.19699 18.3349 -176.871 PRESSAVG: 1394600 11.6791 32.6735 29.5798 32.6735 36.4998 -25.989 29.5797 -25.989 -28.1987 GPRESSAVG: 1394600 13.0899 33.5759 28.5532 33.3151 35.8303 -27.0981 31.2945 -23.6072 -28.3242 TIMING: 1394600 CPU: 4159.37, 0.00301051/step Wall: 4159.37, 0.00301051/step, 3.01502 hours remaining, 207.226562 MB of memory in use. ENERGY: 1394600 764.3536 2104.7612 1948.7544 117.2037 -206584.1724 18124.3191 0.0000 0.0000 34309.8384 -149214.9420 299.6364 -183524.7803 -149116.8264 299.7954 -3.6265 34.5692 558316.5142 6.6601 6.8653 PRESSURE: 1394800 140.79 8.42705 127.322 8.42693 355.289 -42.1423 127.32 -42.1417 -95.985 GPRESSURE: 1394800 142.935 -36.0419 46.5008 -39.1911 340.224 -35.169 39.2367 -19.0434 9.07586 PRESSAVG: 1394800 35.2365 -11.1019 7.70319 -11.1019 46.4785 -23.6966 7.70313 -23.6965 -96.9601 GPRESSAVG: 1394800 33.7177 -13.3942 8.33942 -8.40333 46.8077 -22.4097 8.54482 -24.7959 -96.3166 TIMING: 1394800 CPU: 4159.98, 0.0030422/step Wall: 4159.98, 0.0030422/step, 3.04659 hours remaining, 207.226562 MB of memory in use. ENERGY: 1394800 728.3632 2074.2719 1927.9219 108.0889 -206625.5112 17976.7624 0.0000 0.0000 34313.4028 -149496.7000 299.6675 -183810.1028 -149401.3898 299.0249 133.3647 164.0786 556787.0673 -5.0817 -5.2637 PRESSURE: 1395000 71.3167 175.384 -64.3161 175.385 208.253 14.7101 -64.317 14.7084 202.343 GPRESSURE: 1395000 92.0866 119.683 8.83451 211.414 301.057 18.4677 -65.6728 -37.586 181.964 PRESSAVG: 1395000 58.3921 21.0617 -1.88939 21.0617 2.51296 2.39407 -1.88944 2.39409 -41.4465 GPRESSAVG: 1395000 59.6596 22.0467 -2.19746 19.4026 2.96465 0.682722 -2.58864 3.55217 -42.805 TIMING: 1395000 CPU: 4160.58, 0.00300544/step Wall: 4160.58, 0.00300544/step, 3.00962 hours remaining, 207.226562 MB of memory in use. ENERGY: 1395000 732.4206 2091.9053 1918.6700 115.7937 -206660.7638 18074.9053 0.0000 0.0000 34284.9659 -149442.1030 299.4191 -183727.0689 -149349.8258 299.0193 160.6375 191.7027 557050.5836 6.4862 6.6064 PRESSURE: 1395200 267.248 -204.691 24.7457 -204.692 -89.3511 -6.26151 24.7465 -6.26298 -191.56 GPRESSURE: 1395200 309.98 -179.01 -32.4673 -195.905 -78.0411 66.8777 82.1402 -27.1937 -140.619 PRESSAVG: 1395200 15.9255 24.3261 -15.8466 24.3261 37.9543 32.6673 -15.8466 32.6673 -63.9567 GPRESSAVG: 1395200 15.6206 27.579 -15.957 23.0463 37.0019 33.6951 -17.4827 32.0393 -62.4158 TIMING: 1395200 CPU: 4161.19, 0.00302327/step Wall: 4161.19, 0.00302327/step, 3.0273 hours remaining, 207.226562 MB of memory in use. ENERGY: 1395200 724.1583 2126.8087 1935.3470 114.5327 -206344.9250 17985.3614 0.0000 0.0000 34016.7425 -149441.9744 297.0767 -183458.7169 -149348.4244 298.8362 -4.5542 30.4400 558493.5779 -3.3590 -3.2644 PRESSURE: 1395400 -97.866 138.678 -27.6308 138.678 -99.6341 -38.4568 -27.6315 -38.4568 -111.246 GPRESSURE: 1395400 -54.2023 88.7384 23.4138 69.1852 -115.658 31.0473 5.36746 -75.3468 -49.8439 PRESSAVG: 1395400 53.7237 46.7191 20.5993 46.7191 0.0808598 30.3207 20.5992 30.3207 -77.878 GPRESSAVG: 1395400 53.3425 44.2025 21.8273 47.5394 -0.282621 31.5676 20.5039 30.942 -77.3435 TIMING: 1395400 CPU: 4161.79, 0.00300061/step Wall: 4161.79, 0.00300061/step, 3.00445 hours remaining, 207.226562 MB of memory in use. ENERGY: 1395400 738.2405 2069.8943 1916.4355 112.1505 -206265.9219 17748.1658 0.0000 0.0000 34111.4593 -149569.5760 297.9039 -183681.0352 -149468.2463 298.5226 -102.9153 -73.2347 557802.1140 -8.0245 -8.0946 PRESSURE: 1395600 131.108 -121.2 -76.558 -121.2 93.4835 -82.2386 -76.5568 -82.2391 2.38023 GPRESSURE: 1395600 138.48 -244.126 -118.984 -51.3663 166.25 -13.1312 -69.1089 -5.04332 25.3395 PRESSAVG: 1395600 75.3328 11.3475 33.9238 11.3476 16.1996 52.2731 33.9238 52.2731 -127.495 GPRESSAVG: 1395600 75.1916 10.5683 34.282 12.0685 17.7037 52.3753 34.0803 53.3787 -128.531 TIMING: 1395600 CPU: 4162.39, 0.0029923/step Wall: 4162.39, 0.0029923/step, 2.99596 hours remaining, 207.226562 MB of memory in use. ENERGY: 1395600 725.0974 2051.9209 1923.4517 119.2336 -206729.4810 17982.8608 0.0000 0.0000 34187.8881 -149739.0285 298.5713 -183926.9166 -149644.0162 298.3391 75.6573 110.0232 557471.2089 -11.9874 -11.8787 PRESSURE: 1395800 172.804 184.851 144.067 184.852 170.336 114.133 144.067 114.132 -230.057 GPRESSURE: 1395800 185.672 206.199 168.116 186.544 199.699 122.64 79.7177 43.6735 -188.346 PRESSAVG: 1395800 68.3641 23.1864 19.0759 23.1863 9.34722 5.23727 19.076 5.23716 -37.2257 GPRESSAVG: 1395800 67.9833 24.9917 17.0111 23.4039 8.71847 4.17251 19.9319 3.78215 -36.1679 TIMING: 1395800 CPU: 4162.99, 0.00301383/step Wall: 4162.99, 0.00301383/step, 3.01735 hours remaining, 207.226562 MB of memory in use. ENERGY: 1395800 716.5739 2153.0768 1919.0502 104.2738 -206600.8693 17774.8984 0.0000 0.0000 34207.9174 -149725.0787 298.7463 -183932.9961 -149634.5621 298.0046 37.6945 65.6747 555761.2459 13.4952 13.5113 PRESSURE: 1396000 216.735 109.316 -63.6892 109.316 -28.7265 72.5433 -63.6894 72.5444 14.5147 GPRESSURE: 1396000 223.861 131.858 -56.16 61.3188 2.10916 75.3032 45.5867 76.9515 55.7408 PRESSAVG: 1396000 7.99294 53.0936 -20.7241 53.0935 -24.816 40.8148 -20.7242 40.8149 -9.76709 GPRESSAVG: 1396000 8.8596 53.3516 -19.3329 50.5339 -23.7309 39.9279 -21.8449 41.1021 -11.7307 TIMING: 1396000 CPU: 4163.6, 0.00303172/step Wall: 4163.6, 0.00303172/step, 3.03509 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1396000 739.5604 2133.0813 1924.6222 95.9568 -206509.2912 17941.4908 0.0000 0.0000 34175.1218 -149499.4579 298.4598 -183674.5797 -149410.5859 298.2715 67.5077 93.9036 557599.9973 -8.8634 -8.8673 PRESSURE: 1396200 -140.683 15.3765 -5.64153 15.377 37.3608 118.54 -5.64114 118.54 136.19 GPRESSURE: 1396200 -159.676 166.521 63.0153 25.0776 92.9343 143.749 -37.0026 65.036 197.416 PRESSAVG: 1396200 28.8419 44.7969 22.283 44.7968 -71.9309 43.1466 22.283 43.1466 42.735 GPRESSAVG: 1396200 28.1327 45.2715 22.7747 45.2676 -72.8569 43.4925 21.9134 41.9758 43.8984 TIMING: 1396200 CPU: 4164.2, 0.00302361/step Wall: 4164.2, 0.00302361/step, 3.02681 hours remaining, 207.226562 MB of memory in use. ENERGY: 1396200 785.4343 2067.0121 1979.0759 110.9205 -206713.1939 18015.6885 0.0000 0.0000 34380.7470 -149374.3155 300.2556 -183755.0625 -149277.6011 298.8576 10.9561 43.5581 556979.7302 -0.1180 -0.2753 LDB: ============= START OF LOAD BALANCING ============== 4167.75 LDB: ============== END OF LOAD BALANCING =============== 4167.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4167.75 LDB: ============= START OF LOAD BALANCING ============== 4168.05 LDB: Largest compute 4796 load 0.026528 is 22.5% of average load 0.118133 LDB: Average compute 0.001733 is 1.5% of average load 0.118133 LDB: TIME 4168.05 LOAD: AVG 0.118133 MAX 0.213177 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 4168.05 LOAD: AVG 0.118133 MAX 0.213177 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.523 MB LDB: TIME 4168.05 LOAD: AVG 0.118133 MAX 0.213177 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.523 MB LDB: ============== END OF LOAD BALANCING =============== 4168.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4168.06 PRESSURE: 1396400 94.9089 17.1711 107.33 17.1723 -283.568 119.195 107.329 119.196 43.8173 GPRESSURE: 1396400 167.521 -19.4997 115.37 -45.2008 -270.007 158.678 44.2406 19.0845 46.0598 PRESSAVG: 1396400 -12.8906 35.374 -37.7816 35.3741 -27.7633 22.8361 -37.7816 22.8361 32.4939 GPRESSAVG: 1396400 -11.9869 34.3328 -39.818 37.7809 -27.4571 24.4307 -35.6097 21.5828 31.1608 TIMING: 1396400 CPU: 4164.81, 0.00304362/step Wall: 4164.81, 0.00304362/step, 3.04667 hours remaining, 207.796875 MB of memory in use. ENERGY: 1396400 766.2401 2130.6970 1938.0853 131.5719 -206354.1999 17644.1798 0.0000 0.0000 34277.0984 -149466.3274 299.3504 -183743.4258 -149372.8571 298.9826 -48.2805 -18.8088 555801.5837 -2.7200 -2.7611 PRESSURE: 1396600 -48.5977 -89.7988 -160.499 -89.7987 -67.4058 -120.474 -160.499 -120.473 -251.138 GPRESSURE: 1396600 -49.0613 -151.274 -117.368 -68.1367 -15.2192 -199.665 -144.086 -26.9805 -196.111 PRESSAVG: 1396600 -41.7694 -36.2289 -20.3377 -36.2289 43.8418 13.9097 -20.3377 13.9097 -7.52924 GPRESSAVG: 1396600 -42.3783 -36.0049 -18.507 -36.3348 43.3175 10.8484 -22.0571 17.9868 -6.253 TIMING: 1396600 CPU: 4165.4, 0.00296568/step Wall: 4165.4, 0.00296568/step, 2.96848 hours remaining, 208.000000 MB of memory in use. ENERGY: 1396600 768.7025 2125.1675 1922.3027 105.6277 -206725.5955 18005.5417 0.0000 0.0000 34297.3677 -149500.8857 299.5274 -183798.2534 -149403.5968 299.0023 -122.3805 -86.7972 558013.2146 -1.8189 -1.7713 PRESSURE: 1396800 158.44 -82.6442 32.8893 -82.6433 164.796 -0.0786387 32.8883 -0.0774337 153.938 GPRESSURE: 1396800 141.369 -39.6695 -5.12781 -43.4534 262.759 16.0104 43.9584 4.07717 169.719 PRESSAVG: 1396800 21.353 -3.19811 26.3566 -3.1981 -63.589 21.098 26.3565 21.098 27.059 GPRESSAVG: 1396800 22.3635 -2.80934 26.9977 -3.18582 -63.7672 22.6257 27.4837 19.8487 26.2938 TIMING: 1396800 CPU: 4166, 0.00297952/step Wall: 4166, 0.00297952/step, 2.98217 hours remaining, 208.000000 MB of memory in use. ENERGY: 1396800 735.9346 2098.1051 1931.1808 114.0264 -206714.8412 17906.3516 0.0000 0.0000 34292.2573 -149636.9854 299.4828 -183929.2427 -149540.6818 298.9096 159.0579 191.2825 556306.7956 -5.0590 -5.0367 PRESSURE: 1397000 209.24 110.335 -16.6431 110.336 -44.2601 115.671 -16.6428 115.67 -62.0168 GPRESSURE: 1397000 230.412 1.00909 -116.782 165.538 9.9801 98.2707 71.9875 133.86 -33.851 PRESSAVG: 1397000 48.931 -26.9087 -29.684 -26.9087 -69.4474 53.2462 -29.684 53.2462 -6.98883 GPRESSAVG: 1397000 49.1635 -27.3493 -30.0793 -26.6546 -68.5259 53.3057 -29.2226 53.2901 -7.95173 TIMING: 1397000 CPU: 4166.59, 0.0029649/step Wall: 4166.59, 0.0029649/step, 2.96737 hours remaining, 208.070312 MB of memory in use. ENERGY: 1397000 761.7335 2042.2813 1925.4846 108.3990 -206767.8927 18105.2646 0.0000 0.0000 34172.1795 -149652.5503 298.4341 -183824.7298 -149551.3658 298.7706 34.3209 68.8469 556648.1633 -9.1684 -9.1047 PRESSURE: 1397200 366.816 41.5803 98.4407 41.5792 56.3655 195.025 98.4406 195.025 -88.4413 GPRESSURE: 1397200 390.025 10.482 58.141 46.037 60.4173 173.258 87.1315 241.711 -21.9172 PRESSAVG: 1397200 70.3314 64.7581 -8.07956 64.7582 -69.68 57.7562 -8.07958 57.7562 0.909599 GPRESSAVG: 1397200 69.8913 65.7442 -9.28806 62.6751 -70.1182 58.4111 -8.56187 56.4481 1.76442 TIMING: 1397200 CPU: 4167.19, 0.00300075/step Wall: 4167.19, 0.00300075/step, 3.00308 hours remaining, 208.070312 MB of memory in use. ENERGY: 1397200 750.1196 2101.4921 1925.4627 102.2026 -206941.9263 18105.5939 0.0000 0.0000 34292.0954 -149664.9601 299.4814 -183957.0554 -149570.4754 298.0677 111.5799 142.8418 556648.3397 0.5203 0.5125 PRESSURE: 1397400 -203.779 -150.964 148.893 -150.964 161.051 173.014 148.892 173.013 -246.865 GPRESSURE: 1397400 -146.847 -198.766 113.427 -106.336 182.782 186.89 82.7295 184.782 -223.642 PRESSAVG: 1397400 49.2175 -1.60074 -53.5138 -1.60084 -34.6281 2.84032 -53.514 2.84031 -19.4515 GPRESSAVG: 1397400 49.6781 -2.06949 -54.6794 -1.16524 -34.194 0.803129 -54.164 5.72233 -20.3512 TIMING: 1397400 CPU: 4167.79, 0.00299622/step Wall: 4167.79, 0.00299622/step, 2.99838 hours remaining, 208.070312 MB of memory in use. ENERGY: 1397400 750.7987 2042.8654 1925.8643 107.5193 -206302.7564 17719.6726 0.0000 0.0000 34262.8634 -149493.1726 299.2261 -183756.0360 -149388.2217 298.7184 -96.5312 -62.5688 558216.1470 -1.6207 -1.6224 PRESSURE: 1397600 116.694 9.74756 -106.937 9.7484 -42.1208 -178.115 -106.938 -178.117 -349.75 GPRESSURE: 1397600 107.857 -21.7003 -134.908 -50.4433 6.33337 -219.659 -95.2085 -76.0289 -295.605 PRESSAVG: 1397600 -11.4373 -20.1137 -10.9123 -20.1138 77.0645 33.8025 -10.9124 33.8026 -56.6363 GPRESSAVG: 1397600 -12.3492 -20.4578 -8.82566 -20.3957 76.3585 34.9528 -10.6309 33.36 -54.9007 TIMING: 1397600 CPU: 4168.4, 0.00304001/step Wall: 4168.4, 0.00304001/step, 3.04203 hours remaining, 208.070312 MB of memory in use. ENERGY: 1397600 750.5330 2054.8096 1956.6407 127.2632 -206386.6367 17745.8958 0.0000 0.0000 34241.3811 -149510.1132 299.0385 -183751.4943 -149410.7863 298.6725 -91.7257 -60.4714 558748.3429 2.9970 3.0362 PRESSURE: 1397800 235.712 61.2065 101.384 61.2065 -206.642 53.7805 101.385 53.7796 192.261 GPRESSURE: 1397800 229.572 75.2275 173.408 53.2348 -130.804 57.8506 110.275 8.74603 231.985 PRESSAVG: 1397800 -17.4787 24.3984 -23.3898 24.3985 33.4597 70.9052 -23.3899 70.9053 -36.3081 GPRESSAVG: 1397800 -18.061 24.1516 -22.6126 24.3474 34.3547 71.4782 -23.363 68.4427 -36.3151 TIMING: 1397800 CPU: 4169, 0.00298935/step Wall: 4169, 0.00298935/step, 2.99117 hours remaining, 208.070312 MB of memory in use. ENERGY: 1397800 741.2336 2116.0516 1925.6089 114.1172 -206512.8481 17973.1208 0.0000 0.0000 34115.6193 -149527.0967 297.9402 -183642.7160 -149432.4846 298.1309 73.7772 110.2508 557757.1626 -6.7757 -6.6738 PRESSURE: 1398000 -28.5446 -211.9 -143.131 -211.901 -104.394 -108.202 -143.131 -108.201 -150.539 GPRESSURE: 1398000 -1.94515 -303.762 -109.936 -128.565 -166.842 -171.255 -184.277 -7.77877 -21.4446 PRESSAVG: 1398000 -26.3145 -53.2994 23.885 -53.2994 32.2124 -0.229597 23.885 -0.229529 1.56738 GPRESSAVG: 1398000 -25.999 -52.7316 23.416 -54.4085 32.5238 -3.12912 23.6472 2.23164 1.54934 TIMING: 1398000 CPU: 4169.59, 0.00298885/step Wall: 4169.59, 0.00298885/step, 2.99051 hours remaining, 208.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1398000 742.0369 2163.5449 1914.6641 119.8319 -205954.7354 17676.0259 0.0000 0.0000 33944.7752 -149393.8565 296.4482 -183338.6317 -149299.8393 298.2613 -94.4923 -63.4105 558250.4937 2.4885 2.6914 PRESSURE: 1398200 65.0424 -63.6814 -81.554 -63.6818 -21.1756 55.6611 -81.5534 55.6619 187.507 GPRESSURE: 1398200 69.3984 -95.4124 -167.939 -60.8712 -5.65256 43.0841 -1.04697 34.4346 253.476 PRESSAVG: 1398200 -14.7947 32.8716 -4.55334 32.8716 18.6908 8.28108 -4.55332 8.28105 -11.2452 GPRESSAVG: 1398200 -14.6022 32.9166 -5.36611 34.8915 18.7701 10.4056 -4.10907 6.38285 -11.3725 TIMING: 1398200 CPU: 4170.2, 0.00302873/step Wall: 4170.2, 0.00302873/step, 3.03025 hours remaining, 208.070312 MB of memory in use. ENERGY: 1398200 765.3212 2148.9605 1955.1836 105.0668 -206491.4207 18063.4657 0.0000 0.0000 34112.6998 -149340.7231 297.9147 -183453.4229 -149243.5216 298.7296 77.1247 105.7406 558206.3388 -2.4497 -2.4015 PRESSURE: 1398400 -20.6247 -106.009 127.483 -106.008 -256.829 -67.0317 127.481 -67.0331 -16.3801 GPRESSURE: 1398400 3.15647 -141.987 169.257 -87.6205 -228.346 -73.286 169.305 -101.051 21.0797 PRESSAVG: 1398400 24.3859 -17.7784 15.4471 -17.7783 -61.7 -52.1028 15.4472 -52.1027 3.32956 GPRESSAVG: 1398400 24.629 -18.2486 16.9268 -15.8415 -61.3129 -51.4963 16.4547 -49.6119 2.58787 TIMING: 1398400 CPU: 4170.81, 0.00304553/step Wall: 4170.81, 0.00304553/step, 3.04689 hours remaining, 208.070312 MB of memory in use. ENERGY: 1398400 727.2490 2098.6656 1937.2679 115.0520 -206225.2169 17855.9728 0.0000 0.0000 34120.1153 -149370.8942 297.9795 -183491.0096 -149273.8916 298.5945 -97.9445 -68.0366 559572.9470 -11.3282 -11.3653 PRESSURE: 1398600 -9.52998 33.1664 -2.86668 33.1663 183.736 -318.213 -2.86616 -318.212 192.019 GPRESSURE: 1398600 -40.0912 26.5945 -18.8015 133.854 255.82 -304.878 23.1099 -323.557 231.854 PRESSAVG: 1398600 -28.6723 4.65852 34.1036 4.65861 -34.2287 -50.5829 34.1036 -50.583 69.7834 GPRESSAVG: 1398600 -28.4654 6.98877 32.2462 1.85699 -34.3011 -53.0004 33.4554 -49.1631 69.8317 TIMING: 1398600 CPU: 4171.41, 0.00302832/step Wall: 4171.41, 0.00302832/step, 3.0295 hours remaining, 208.070312 MB of memory in use. ENERGY: 1398600 737.8016 2089.4104 1952.3550 123.9968 -206585.1549 18162.0553 0.0000 0.0000 34022.3358 -149497.2000 297.1255 -183519.5358 -149401.1725 298.5616 122.0749 149.1941 557030.6865 2.2941 2.3551 PRESSURE: 1398800 -95.1105 39.2943 -202.486 39.2949 -107.885 17.5134 -202.487 17.5157 69.5243 GPRESSURE: 1398800 -94.1127 19.0271 -111.373 94.232 -19.7698 -41.0659 -125.372 -5.33508 66.507 PRESSAVG: 1398800 -14.5983 11.0885 15.1064 11.0884 -11.0027 -31.5092 15.1065 -31.5092 25.8992 GPRESSAVG: 1398800 -15.8305 10.0834 15.8751 11.8589 -9.81865 -32.2179 15.1478 -33.1751 25.8001 TIMING: 1398800 CPU: 4172.02, 0.00301314/step Wall: 4172.02, 0.00301314/step, 3.01414 hours remaining, 208.070312 MB of memory in use. ENERGY: 1398800 735.4525 2134.0937 1932.1424 106.0111 -206328.7660 17778.9352 0.0000 0.0000 34149.7609 -149492.3701 298.2384 -183642.1309 -149397.6923 298.5948 -44.4905 -15.7918 558627.3413 0.0994 0.0503 PRESSURE: 1399000 5.7616 -53.0438 -0.441506 -53.0438 -281.146 -154.352 -0.440895 -154.352 -208.426 GPRESSURE: 1399000 99.9119 -28.1574 21.9736 -2.98642 -307.566 -148.317 -2.90019 -157.18 -174.987 PRESSAVG: 1399000 34.7624 -48.6474 46.2555 -48.6473 -83.6331 45.8 46.2556 45.8001 82.5251 GPRESSAVG: 1399000 34.7712 -48.8709 45.4701 -47.2402 -83.273 47.3755 46.1181 44.523 82.2762 TIMING: 1399000 CPU: 4172.63, 0.00304323/step Wall: 4172.63, 0.00304323/step, 3.04408 hours remaining, 208.070312 MB of memory in use. ENERGY: 1399000 761.5473 2103.5726 1923.6206 128.1374 -206279.6040 17730.1111 0.0000 0.0000 34040.8717 -149591.7432 297.2874 -183632.6149 -149496.7638 298.5371 -161.2699 -127.5469 558033.5102 11.2181 11.2582 PRESSURE: 1399200 65.6525 122.121 3.6103 122.122 -142.298 43.5071 3.61132 43.5077 30.1603 GPRESSURE: 1399200 121.022 126.45 -35.8762 69.7376 -109.599 -1.49192 21.0662 44.5634 51.2758 PRESSAVG: 1399200 -76.4547 -10.5805 26.4104 -10.5805 -40.6062 -29.5389 26.4104 -29.5388 134.188 GPRESSAVG: 1399200 -73.8885 -11.5774 27.5174 -9.98783 -42.0089 -28.7321 25.3521 -28.3663 133.555 TIMING: 1399200 CPU: 4173.23, 0.00300566/step Wall: 4173.23, 0.00300566/step, 3.00633 hours remaining, 208.070312 MB of memory in use. ENERGY: 1399200 780.4005 2103.3889 1929.6353 109.7136 -206688.9559 17937.0000 0.0000 0.0000 34350.0847 -149478.7329 299.9878 -183828.8176 -149378.5004 298.6110 -15.4950 20.8995 556237.6356 5.7090 5.8859 PRESSURE: 1399400 25.4908 12.5628 -6.95254 12.5629 -130.427 -14.0181 -6.95076 -14.0187 98.6501 GPRESSURE: 1399400 -27.3698 67.7098 -60.3351 -46.5181 -75.4995 1.65271 47.7573 -17.4518 189.292 PRESSAVG: 1399400 0.505866 -25.4347 8.33411 -25.4348 -56.2114 30.5379 8.33424 30.5379 39.7079 GPRESSAVG: 1399400 -0.896402 -26.7126 7.15542 -26.7149 -56.1548 30.4248 9.20585 29.039 41.2093 TIMING: 1399400 CPU: 4173.83, 0.00299427/step Wall: 4173.83, 0.00299427/step, 2.99477 hours remaining, 208.070312 MB of memory in use. ENERGY: 1399400 746.9829 2052.0256 1926.5026 117.7012 -206446.6317 18016.4526 0.0000 0.0000 34145.3120 -149441.6548 298.1995 -183586.9667 -149351.5231 299.0860 -2.0953 28.8077 558853.1054 -5.3326 -5.2806 PRESSURE: 1399600 109.94 -90.6179 80.8607 -90.6179 -22.2596 -69.8598 80.8606 -69.8614 -46.5596 GPRESSURE: 1399600 131.836 -108.401 141.438 -29.8297 -18.4223 -184.436 -4.22814 -20.9311 13.2529 PRESSAVG: 1399600 23.3654 -32.1099 6.96011 -32.1098 -62.175 -59.8543 6.96017 -59.8543 14.6015 GPRESSAVG: 1399600 24.8454 -30.3916 6.7713 -33.6708 -61.4891 -60.6155 7.56386 -58.1488 12.7575 TIMING: 1399600 CPU: 4174.42, 0.00298282/step Wall: 4174.42, 0.00298282/step, 2.98315 hours remaining, 208.070312 MB of memory in use. ENERGY: 1399600 714.2234 2120.5627 1904.3744 111.5786 -206393.3188 17939.8487 0.0000 0.0000 34109.1931 -149493.5380 297.8841 -183602.7311 -149404.9228 298.4958 13.7069 42.2223 558863.7020 -8.0694 -7.9621 PRESSURE: 1399800 54.5452 -160.546 31.7011 -160.547 59.2269 -63.0577 31.7017 -63.0594 34.8862 GPRESSURE: 1399800 55.3357 -149.046 14.3855 -144.41 115.857 -51.9764 8.30828 -44.7104 61.0208 PRESSAVG: 1399800 -17.7377 -4.69767 47.8392 -4.69772 -59.7738 -59.4502 47.8391 -59.4502 33.6998 GPRESSAVG: 1399800 -19.5583 -4.22744 48.3658 -4.30413 -60.0443 -56.2609 46.5548 -60.8166 35.3984 TIMING: 1399800 CPU: 4175.01, 0.0029513/step Wall: 4175.01, 0.0029513/step, 2.95147 hours remaining, 208.070312 MB of memory in use. ENERGY: 1399800 720.3355 2046.4444 1934.6262 111.7172 -206050.1974 17829.4291 0.0000 0.0000 34134.3729 -149273.2722 298.1040 -183407.6450 -149173.5455 298.5011 49.5527 77.4045 558125.9801 -14.6039 -14.7348 PRESSURE: 1400000 -238.965 108.278 186.174 108.277 -50.3168 68.7782 186.175 68.779 -161.786 GPRESSURE: 1400000 -240.189 167.683 156.774 99.5448 -11.167 116.758 110.234 -16.8262 -104.658 PRESSAVG: 1400000 -53.2162 -27.8306 24.393 -27.8307 -0.57544 -39.4332 24.393 -39.4332 24.7023 GPRESSAVG: 1400000 -52.0161 -30.2441 24.6121 -24.1378 -1.24376 -42.183 24.3435 -39.5312 24.4043 TIMING: 1400000 CPU: 4175.61, 0.00298109/step Wall: 4175.61, 0.00298109/step, 2.98109 hours remaining, 208.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1400000 751.5967 2176.8201 1920.0830 113.7138 -206047.8789 17710.4124 0.0000 0.0000 34225.3495 -149149.9033 298.8985 -183375.2528 -149053.5071 299.1618 -150.3559 -118.6715 558707.7149 -9.6965 -9.6185 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1400000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 1400000 WRITING COORDINATES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1400200 -233.784 19.8045 -3.45201 19.8054 -230.668 79.2027 -3.45237 79.2027 -4.14161 GPRESSURE: 1400200 -183.543 -21.5597 34.2415 78.0083 -240.591 53.1393 124.555 87.5031 51.85 PRESSAVG: 1400200 54.9195 -9.44356 -11.3737 -9.4435 -37.8087 -17.1168 -11.3737 -17.1169 -21.484 GPRESSAVG: 1400200 55.3776 -7.64393 -11.4052 -13.3842 -37.0725 -16.2038 -10.6003 -17.3312 -22.9537 TIMING: 1400200 CPU: 4176.22, 0.00305904/step Wall: 4176.22, 0.00305904/step, 3.05887 hours remaining, 208.070312 MB of memory in use. ENERGY: 1400200 799.1590 2144.3003 1925.3981 106.8336 -205824.1965 17625.4450 0.0000 0.0000 34225.5871 -148997.4733 298.9006 -183223.0604 -148905.0416 299.7690 -156.1977 -124.0945 559243.9934 -1.4577 -1.5495 LDB: ============= START OF LOAD BALANCING ============== 4179.77 LDB: ============== END OF LOAD BALANCING =============== 4179.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4179.77 LDB: ============= START OF LOAD BALANCING ============== 4180.06 LDB: Largest compute 4796 load 0.026322 is 22.3% of average load 0.118247 LDB: Average compute 0.001726 is 1.5% of average load 0.118247 LDB: TIME 4180.07 LOAD: AVG 0.118247 MAX 0.211447 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.777 MB LDB: TIME 4180.07 LOAD: AVG 0.118247 MAX 0.211447 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: TIME 4180.07 LOAD: AVG 0.118247 MAX 0.211447 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: ============== END OF LOAD BALANCING =============== 4180.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4180.07 PRESSURE: 1400400 -208.784 -98.9084 -209.687 -98.9083 -110.756 87.2832 -209.687 87.2824 -234.78 GPRESSURE: 1400400 -157.532 -43.8902 -181.488 -171.761 -27.5315 101.927 -232.766 -43.7113 -274.919 PRESSAVG: 1400400 31.4934 12.1375 -49.5732 12.1375 -3.26491 34.1574 -49.5732 34.1575 -30.8081 GPRESSAVG: 1400400 30.7273 12.1012 -48.9101 14.3436 -3.34632 35.4401 -49.2803 32.092 -29.9263 TIMING: 1400400 CPU: 4176.82, 0.00300717/step Wall: 4176.82, 0.00300717/step, 3.00684 hours remaining, 206.714844 MB of memory in use. ENERGY: 1400400 762.5370 2117.6998 1932.9502 113.5854 -205768.0403 17510.1206 0.0000 0.0000 34124.5641 -149206.5832 298.0183 -183331.1473 -149112.1416 299.1081 -184.7735 -153.3275 557960.4074 -0.8599 -0.8485 PRESSURE: 1400600 -160.388 -80.4659 56.773 -80.4669 -84.0541 -10.5877 56.7727 -10.5869 140.628 GPRESSURE: 1400600 -104.397 -20.5874 30.6419 -82.2293 -69.3154 -41.3148 -27.2054 -55.5945 155.421 PRESSAVG: 1400600 -43.7565 -51.2874 24.9149 -51.2875 31.5088 -36.7458 24.9149 -36.7458 -3.05294 GPRESSAVG: 1400600 -43.1281 -51.4257 25.9973 -51.6106 31.7373 -39.3323 23.5511 -34.8309 -4.3653 TIMING: 1400600 CPU: 4177.42, 0.00297399/step Wall: 4177.42, 0.00297399/step, 2.9735 hours remaining, 206.714844 MB of memory in use. ENERGY: 1400600 760.1736 2097.9057 1935.1747 116.9158 -206121.3229 17766.0207 0.0000 0.0000 34312.5320 -149132.6004 299.6599 -183445.1324 -149028.8439 299.5528 -34.6046 -6.0973 558172.2238 -5.1002 -5.2520 PRESSURE: 1400800 99.3193 -103.991 84.8728 -103.99 -163.985 2.67711 84.8726 2.67874 418.691 GPRESSURE: 1400800 71.5437 -173.617 -14.9459 -82.1366 -80.3836 3.499 116.506 -75.9357 453.199 PRESSAVG: 1400800 -25.1689 -14.9255 29.1866 -14.9254 71.3745 28.8911 29.1866 28.891 -70.4143 GPRESSAVG: 1400800 -25.6184 -14.2721 26.7842 -14.7598 70.0894 28.635 28.7517 29.0142 -68.9782 TIMING: 1400800 CPU: 4178.02, 0.00300596/step Wall: 4178.02, 0.00300596/step, 3.00529 hours remaining, 206.714844 MB of memory in use. ENERGY: 1400800 725.2329 2151.4906 1935.4141 108.5294 -206717.1581 18069.8663 0.0000 0.0000 34339.9068 -149386.7179 299.8989 -183726.6247 -149296.2230 298.7581 118.0086 148.1198 557269.6338 -8.0696 -8.1691 PRESSURE: 1401000 68.4215 112.046 -98.9856 112.047 150.123 -44.2811 -98.9865 -44.2809 52.6827 GPRESSURE: 1401000 104.193 124.449 -75.0914 147.008 168.083 2.2186 -208.368 15.3891 95.2851 PRESSAVG: 1401000 34.7784 -49.8489 -15.3472 -49.8489 10.7449 17.7984 -15.3473 17.7985 -9.91317 GPRESSAVG: 1401000 34.9939 -50.8163 -15.8813 -48.7257 12.2512 16.7271 -15.1052 18.2532 -11.9807 TIMING: 1401000 CPU: 4178.61, 0.00297649/step Wall: 4178.61, 0.00297649/step, 2.97566 hours remaining, 206.714844 MB of memory in use. ENERGY: 1401000 743.5757 2076.4122 1919.8710 94.5744 -206579.4627 18082.4821 0.0000 0.0000 34416.7920 -149245.7554 300.5704 -183662.5473 -149150.5804 298.7248 90.4090 122.5205 557176.4329 11.8700 11.7548 PRESSURE: 1401200 -162.618 69.7106 17.7084 69.7115 15.9609 7.89128 17.7087 7.89282 64.0145 GPRESSURE: 1401200 -160.168 111.453 -27.5831 43.8704 33.833 -32.0643 8.79097 -53.082 134.691 PRESSAVG: 1401200 2.7262 -12.333 4.49012 -12.333 -29.4237 -4.69087 4.49008 -4.69095 12.0871 GPRESSAVG: 1401200 3.18827 -11.2756 5.87282 -14.6686 -30.2594 -2.34836 4.27851 -5.82076 12.5254 TIMING: 1401200 CPU: 4179.21, 0.0029776/step Wall: 4179.21, 0.0029776/step, 2.97661 hours remaining, 206.714844 MB of memory in use. ENERGY: 1401200 719.0811 2076.4105 1931.8850 92.8603 -206282.5800 17773.9923 0.0000 0.0000 34333.5954 -149354.7554 299.8438 -183688.3508 -149250.8585 299.1238 -27.5474 2.7854 557769.9972 -4.8701 -4.8486 PRESSURE: 1401400 -136.049 -86.4197 -80.3632 -86.4187 -56.5035 -106.253 -80.3641 -106.253 84.1403 GPRESSURE: 1401400 -127.108 27.6835 -179.452 -94.7062 7.33058 -115.499 10.412 -130.699 113.715 PRESSAVG: 1401400 25.7628 -19.6143 36.5267 -19.6144 -16.1813 -3.07138 36.5267 -3.07128 -0.843182 GPRESSAVG: 1401400 24.8949 -20.6902 35.6583 -18.5845 -15.9185 -3.86285 37.9534 -1.76041 -0.287937 TIMING: 1401400 CPU: 4179.8, 0.00297386/step Wall: 4179.8, 0.00297386/step, 2.97271 hours remaining, 206.714844 MB of memory in use. ENERGY: 1401400 722.5060 2088.4102 1897.6279 104.5940 -205970.2231 17725.2209 0.0000 0.0000 34224.2330 -149207.6311 298.8887 -183431.8641 -149113.5776 298.6086 -36.1373 -2.0208 558373.2304 2.9128 2.8962 PRESSURE: 1401600 72.7418 6.33897 -110.476 6.33788 -338.921 -11.3475 -110.475 -11.3466 -159.234 GPRESSURE: 1401600 123.696 -105.579 -90.4073 57.2564 -323.375 -34.6896 -114.375 -6.55055 -132.574 PRESSAVG: 1401600 61.7211 -10.0478 3.50407 -10.0477 -9.06156 23.9978 3.50408 23.9979 -55.4937 GPRESSAVG: 1401600 61.5065 -10.2171 3.22147 -10.0079 -9.47052 26.66 2.75304 22.7684 -54.6471 TIMING: 1401600 CPU: 4180.4, 0.0029981/step Wall: 4180.4, 0.00299811/step, 2.99677 hours remaining, 206.714844 MB of memory in use. ENERGY: 1401600 745.0198 2046.7312 1937.2953 108.1307 -205823.7191 17485.2841 0.0000 0.0000 34286.1883 -149215.0698 299.4298 -183501.2581 -149115.7433 299.3666 -141.8044 -110.7510 558492.7873 -0.9447 -0.8704 PRESSURE: 1401800 74.7313 -26.6957 -7.43857 -26.6942 58.783 101.605 -7.43848 101.606 116.956 GPRESSURE: 1401800 118.284 -49.8544 -32.3678 -3.79563 119.858 95.7694 1.18757 93.1649 122.059 PRESSAVG: 1401800 66.0839 2.93884 -19.7736 2.93883 -32.1792 -9.74408 -19.7736 -9.74406 9.97858 GPRESSAVG: 1401800 67.0081 2.51203 -18.186 2.07519 -31.2229 -11.7102 -19.3582 -8.92777 7.93548 TIMING: 1401800 CPU: 4181, 0.00298483/step Wall: 4181, 0.00298483/step, 2.98334 hours remaining, 206.714844 MB of memory in use. ENERGY: 1401800 743.5900 2112.9206 1951.2834 109.5091 -206436.9324 18025.1943 0.0000 0.0000 34342.8008 -149151.6342 299.9242 -183494.4350 -149053.2169 299.4154 83.4901 120.0669 556683.3960 14.6277 14.5735 PRESSURE: 1402000 -182.322 -76.492 46.7129 -76.4923 -102.482 0.495187 46.7129 0.495246 65.6018 GPRESSURE: 1402000 -143.355 -57.87 64.7089 -135.451 -41.431 5.32816 85.6134 4.94052 70.3003 PRESSAVG: 1402000 39.8388 -65.1687 24.3809 -65.1686 -5.01683 -26.286 24.3809 -26.2859 -38.6186 GPRESSAVG: 1402000 39.3523 -63.8054 23.2734 -66.95 -4.73765 -26.1487 25.1283 -26.2951 -38.2194 TIMING: 1402000 CPU: 4181.6, 0.0030141/step Wall: 4181.6, 0.0030141/step, 3.01243 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1402000 778.6015 2051.8741 1937.2621 104.9163 -206061.3179 17868.1398 0.0000 0.0000 34198.1678 -149122.3563 298.6611 -183320.5241 -149024.0948 299.3310 -73.0675 -38.1617 559036.4809 -1.2655 -1.2016 PRESSURE: 1402200 175.893 -108.544 4.17236 -108.545 125.222 -47.6892 4.17254 -47.6895 19.3151 GPRESSURE: 1402200 239.447 -119.961 -46.1281 -72.2744 154.364 45.7701 100.635 -130.895 19.5726 PRESSAVG: 1402200 75.4191 -45.2179 40.2257 -45.2179 -58.993 -51.1686 40.2256 -51.1686 -45.4406 GPRESSAVG: 1402200 76.3963 -45.8301 42.1058 -43.6404 -60.6735 -50.7485 40.2089 -50.0861 -44.0458 TIMING: 1402200 CPU: 4182.2, 0.00300135/step Wall: 4182.2, 0.00300135/step, 2.99951 hours remaining, 206.714844 MB of memory in use. ENERGY: 1402200 749.5494 2026.4004 1905.9483 107.5761 -206505.9358 18107.7432 0.0000 0.0000 34426.6775 -149182.0409 300.6567 -183608.7184 -149080.8815 299.5077 106.8103 137.7946 558275.6058 -9.6715 -9.4410 PRESSURE: 1402400 -311.701 -36.008 27.0836 -36.0087 -101.677 -238.795 27.084 -238.794 -279.44 GPRESSURE: 1402400 -205.308 -11.1722 61.1041 -29.7378 -149.66 -199.38 71.1784 -309.527 -247.67 PRESSAVG: 1402400 38.0704 19.3571 38.1194 19.3571 43.0976 -48.2452 38.1194 -48.2452 -93.5177 GPRESSAVG: 1402400 36.4351 19.699 34.2692 18.3558 44.8166 -46.8781 39.0814 -48.8102 -93.7991 TIMING: 1402400 CPU: 4182.81, 0.00301202/step Wall: 4182.81, 0.00301202/step, 3.01002 hours remaining, 206.714844 MB of memory in use. ENERGY: 1402400 711.0955 2088.1073 1926.5014 117.4662 -205762.5791 17491.7625 0.0000 0.0000 34242.6538 -149184.9924 299.0496 -183427.6462 -149084.7903 298.8391 -230.9396 -200.8796 558454.9456 -4.1166 -4.1825 PRESSURE: 1402600 44.8935 14.764 167.593 14.762 14.3258 -87.1986 167.592 -87.1987 -18.3812 GPRESSURE: 1402600 98.7679 -44.6096 65.746 64.7106 -4.84683 -7.44869 211.16 -131.455 39.9959 PRESSAVG: 1402600 34.0084 5.35876 37.5782 5.35871 56.0554 -33.136 37.5781 -33.136 -70.8418 GPRESSAVG: 1402600 34.341 4.00307 37.8034 5.66373 54.4141 -35.1286 36.5369 -32.7843 -70.3329 TIMING: 1402600 CPU: 4183.41, 0.00300107/step Wall: 4183.41, 0.00300107/step, 2.9989 hours remaining, 206.714844 MB of memory in use. ENERGY: 1402600 724.0234 2043.0368 1929.2023 110.4003 -206005.9635 17662.1340 0.0000 0.0000 34248.0071 -149289.1596 299.0964 -183537.1667 -149193.1979 299.4023 13.6127 44.6390 556584.6244 6.4073 6.1407 PRESSURE: 1402800 -146.497 98.6187 76.3563 98.6179 -344.446 -8.67592 76.3561 -8.67573 -71.0355 GPRESSURE: 1402800 -143.445 61.4102 5.31591 137.958 -327.176 18.9268 146.898 43.0331 12.7634 PRESSAVG: 1402800 95.2041 21.7797 -24.5427 21.7797 -48.5684 15.754 -24.5427 15.7541 -28.8544 GPRESSAVG: 1402800 95.5649 22.6737 -23.055 22.5836 -47.8308 14.9089 -25.2869 16.391 -29.9601 TIMING: 1402800 CPU: 4184.01, 0.00300378/step Wall: 4184.01, 0.00300378/step, 3.00145 hours remaining, 206.714844 MB of memory in use. ENERGY: 1402800 749.0989 2128.5740 1912.7036 95.4279 -205794.9675 17562.1833 0.0000 0.0000 34212.6821 -149134.2976 298.7879 -183346.9797 -149033.8304 299.9004 -187.3261 -152.6191 558274.3401 5.9271 5.9247 PRESSURE: 1403000 -260.852 -79.0179 31.0673 -79.0177 -183.237 47.7574 31.0675 47.7577 -22.5983 GPRESSURE: 1403000 -192.491 17.161 -12.66 -193.986 -157.897 47.1088 100.157 60.0346 -15.5292 PRESSAVG: 1403000 23.5617 -28.6674 8.55784 -28.6674 8.30675 -12.3869 8.5579 -12.387 10.1673 GPRESSAVG: 1403000 24.2281 -27.969 8.463 -29.5327 6.08322 -10.6699 10.6367 -13.9606 11.6342 TIMING: 1403000 CPU: 4184.6, 0.00298484/step Wall: 4184.6, 0.00298484/step, 2.98236 hours remaining, 206.714844 MB of memory in use. ENERGY: 1403000 704.0479 2112.5066 1944.4827 109.4093 -205814.2093 17460.2403 0.0000 0.0000 34449.3878 -149034.1347 300.8551 -183483.5224 -148931.7229 300.0779 -155.5626 -121.9722 557048.2909 14.0119 13.9819 PRESSURE: 1403200 362.712 -32.0386 81.7575 -32.0379 -10.1641 56.1307 81.7579 56.131 131.671 GPRESSURE: 1403200 408.568 -38.0005 -23.2513 -13.3943 10.0577 72.7566 106.16 92.0289 175.457 PRESSAVG: 1403200 13.5732 -11.8778 47.0586 -11.8778 -10.0634 -24.0762 47.0587 -24.0762 -9.23076 GPRESSAVG: 1403200 12.9616 -13.4187 47.027 -10.4753 -7.88139 -25.4865 44.8461 -20.8662 -10.3679 TIMING: 1403200 CPU: 4185.2, 0.00296979/step Wall: 4185.2, 0.00296979/step, 2.96715 hours remaining, 206.714844 MB of memory in use. ENERGY: 1403200 777.1199 2074.6184 1936.7769 113.8388 -206349.3128 17968.5374 0.0000 0.0000 34401.9644 -149076.4570 300.4409 -183478.4214 -148986.7157 299.9494 161.4061 198.0274 557146.2627 -1.9070 -1.7626 PRESSURE: 1403400 -290.932 -106.258 -85.3649 -106.259 125.132 35.3144 -85.3657 35.3129 -196.552 GPRESSURE: 1403400 -232.147 -67.6381 -88.1953 -148.092 171.635 58.1243 -96.729 -33.9891 -199.541 PRESSAVG: 1403400 41.1344 -91.3286 17.8752 -91.3287 -26.9433 -15.3667 17.8751 -15.3668 -50.0284 GPRESSAVG: 1403400 41.6321 -91.3012 17.405 -90.4126 -27.7656 -15.3836 17.8958 -17.7227 -49.4713 TIMING: 1403400 CPU: 4185.8, 0.0030147/step Wall: 4185.8, 0.0030147/step, 3.01185 hours remaining, 206.714844 MB of memory in use. ENERGY: 1403400 738.5639 2087.8545 1910.4050 110.0827 -206243.2681 17658.3845 0.0000 0.0000 34522.6729 -149215.3045 301.4951 -183737.9774 -149109.3595 300.2275 -120.7843 -86.6846 556400.5263 -11.9458 -11.8682 PRESSURE: 1403600 -2.76439 145.561 24.2083 145.56 108.472 -56.9574 24.2095 -56.9589 190.732 GPRESSURE: 1403600 -2.97452 88.2149 72.852 118.576 163.031 -61.5659 1.45626 -35.8985 211.319 PRESSAVG: 1403600 49.7158 -44.8848 54.7481 -44.8848 21.1704 -8.83837 54.748 -8.83821 -46.2253 GPRESSAVG: 1403600 47.87 -46.2477 56.3534 -45.549 21.7984 -9.62495 53.8377 -8.64235 -45.49 TIMING: 1403600 CPU: 4186.4, 0.00299745/step Wall: 4186.4, 0.00299745/step, 2.99445 hours remaining, 206.714844 MB of memory in use. ENERGY: 1403600 759.5543 2079.2153 1945.0324 107.5685 -206381.9579 17934.6168 0.0000 0.0000 34164.7486 -149391.2220 298.3692 -183555.9706 -149294.3508 299.4456 98.8129 123.7916 557280.5651 8.2203 8.0595 PRESSURE: 1403800 -141.416 -42.429 118.168 -42.4276 32.8948 -54.8173 118.166 -54.8161 -330.675 GPRESSURE: 1403800 -85.4903 -39.4967 80.74 -34.168 48.5289 50.2725 100.468 20.8219 -302.071 PRESSAVG: 1403800 49.145 -36.4464 -1.82446 -36.4465 3.16936 24.9186 -1.82444 24.9186 -48.9383 GPRESSAVG: 1403800 50.5586 -35.2464 -3.01967 -38.0552 3.04379 25.5381 -0.878563 25.6618 -50.3005 TIMING: 1403800 CPU: 4186.99, 0.00296847/step Wall: 4186.99, 0.00296847/step, 2.96534 hours remaining, 206.714844 MB of memory in use. ENERGY: 1403800 749.5776 2061.3718 1932.0848 112.8353 -205782.4989 17477.3235 0.0000 0.0000 34088.5182 -149360.7878 297.7035 -183449.3060 -149258.2149 299.2213 -146.3986 -113.0108 558530.6220 1.1253 1.1007 PRESSURE: 1404000 -283.243 -7.96694 131.729 -7.96605 -351.306 111.424 131.729 111.422 -48.0206 GPRESSURE: 1404000 -303.759 -51.3732 13.2007 -2.33896 -266.099 137.738 176.387 136.179 -25.2065 PRESSAVG: 1404000 -98.9097 -49.7441 66.3244 -49.7441 61.5031 43.3648 66.3244 43.3649 -6.7235 GPRESSAVG: 1404000 -99.5802 -49.5271 66.7775 -49.0706 61.239 42.8842 66.1707 43.7357 -5.64786 TIMING: 1404000 CPU: 4187.59, 0.0029605/step Wall: 4187.59, 0.0029605/step, 2.95721 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1404000 737.3619 2081.3516 1927.6744 124.5300 -206183.3598 17615.8974 0.0000 0.0000 34235.8730 -149460.6715 298.9904 -183696.5445 -149367.2145 298.8748 -227.5231 -198.3549 558136.6957 -14.7100 -14.6630 PRESSURE: 1404200 -44.1944 -66.7465 -29.7372 -66.7468 -78.4427 123.132 -29.7363 123.134 -39.6068 GPRESSURE: 1404200 -3.37535 -88.4844 -40.5863 -30.4609 4.63879 83.7057 -79.4002 168.693 -70.4649 PRESSAVG: 1404200 30.8362 -20.7421 1.60682 -20.742 -11.2961 -38.2915 1.60682 -38.2915 -30.5057 GPRESSAVG: 1404200 30.2054 -18.6675 1.05845 -22.0434 -9.50013 -37.7157 1.68933 -38.0027 -31.3366 TIMING: 1404200 CPU: 4188.18, 0.00296829/step Wall: 4188.18, 0.00296829/step, 2.96483 hours remaining, 206.714844 MB of memory in use. ENERGY: 1404200 733.3125 2066.8508 1928.0769 115.6488 -206098.7924 17696.6062 0.0000 0.0000 34248.3632 -149309.9340 299.0995 -183558.2972 -149210.1011 298.2815 -54.0813 -23.0671 557501.9013 -3.6552 -3.5438 LDB: ============= START OF LOAD BALANCING ============== 4191.73 LDB: ============== END OF LOAD BALANCING =============== 4191.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4191.73 LDB: ============= START OF LOAD BALANCING ============== 4192.03 LDB: Largest compute 4796 load 0.027055 is 22.9% of average load 0.118289 LDB: Average compute 0.001723 is 1.5% of average load 0.118289 LDB: TIME 4192.04 LOAD: AVG 0.118289 MAX 0.215462 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.203 MB LDB: TIME 4192.04 LOAD: AVG 0.118289 MAX 0.215462 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.207 MB LDB: TIME 4192.04 LOAD: AVG 0.118289 MAX 0.215462 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.207 MB LDB: ============== END OF LOAD BALANCING =============== 4192.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4192.04 PRESSURE: 1404400 -159.104 155.228 45.7128 155.227 -220.63 33.1647 45.7131 33.1651 -197.412 GPRESSURE: 1404400 -95.1809 165.169 28.2421 210.842 -230.377 -52.9488 87.1296 28.9898 -155.761 PRESSAVG: 1404400 -46.0965 -36.8409 -8.30225 -36.8408 31.1896 53.153 -8.30222 53.153 19.1408 GPRESSAVG: 1404400 -45.2644 -37.5651 -8.29248 -34.8965 29.1233 51.8165 -9.67201 52.0089 19.5149 TIMING: 1404400 CPU: 4188.79, 0.0030638/step Wall: 4188.79, 0.0030638/step, 3.06005 hours remaining, 206.714844 MB of memory in use. ENERGY: 1404400 760.4418 2123.5576 1932.1129 100.2126 -206087.7691 17478.2802 0.0000 0.0000 34341.3916 -149351.7725 299.9119 -183693.1641 -149258.2009 299.3752 -192.3821 -160.4394 557259.9606 1.4113 1.1246 PRESSURE: 1404600 -275.333 77.5931 -94.3318 77.593 -155.875 -2.44989 -94.3331 -2.44916 -105.451 GPRESSURE: 1404600 -192.753 110.595 -84.4235 59.1384 -114.772 -43.8292 -128.333 58.8531 -135.211 PRESSAVG: 1404600 16.1096 -33.8179 -51.5091 -33.8179 -19.8245 9.83293 -51.5092 9.83291 -42.5177 GPRESSAVG: 1404600 16.7677 -33.8757 -50.7974 -33.9778 -20.3864 11.8104 -52.5893 9.38766 -42.7123 TIMING: 1404600 CPU: 4189.39, 0.00300847/step Wall: 4189.39, 0.00300847/step, 3.00463 hours remaining, 206.714844 MB of memory in use. ENERGY: 1404600 729.2165 2049.5557 1921.4343 113.4650 -205881.9575 17576.3902 0.0000 0.0000 34195.6810 -149296.2148 298.6394 -183491.8958 -149201.7486 298.9384 -178.8864 -147.5789 558230.2592 -15.4109 -15.4437 PRESSURE: 1404800 -217.013 196.168 88.2978 196.169 56.5416 2.02425 88.2974 2.02324 -202.475 GPRESSURE: 1404800 -217.134 110.886 97.0019 270.926 106.906 13.1506 41.973 33.1647 -151.063 PRESSAVG: 1404800 18.9687 14.3005 -3.46695 14.3004 18.0343 17.041 -3.46695 17.041 -30.239 GPRESSAVG: 1404800 17.5948 11.7525 -3.52298 15.3876 19.4026 16.529 -2.41652 18.1932 -30.2906 TIMING: 1404800 CPU: 4190, 0.00303119/step Wall: 4190, 0.00303119/step, 3.02715 hours remaining, 206.714844 MB of memory in use. ENERGY: 1404800 718.7366 2078.8025 1934.5094 118.2204 -206108.5182 17610.4534 0.0000 0.0000 34415.2099 -149232.5862 300.5566 -183647.7960 -149138.6500 299.2826 -120.9822 -87.0970 556869.5386 2.2547 2.2356 PRESSURE: 1405000 31.4655 138.708 -8.90355 138.709 22.7962 145.935 -8.90361 145.937 -38.6547 GPRESSURE: 1405000 47.6607 204.526 54.0026 145.414 107.841 209.03 -32.7466 128.281 -39.1488 PRESSAVG: 1405000 -15.6539 -6.28103 1.21978 -6.28108 28.9584 -8.32564 1.21975 -8.3255 43.8179 GPRESSAVG: 1405000 -14.5362 -3.15283 3.43997 -6.97172 26.9901 -8.07552 -0.148836 -8.66954 44.1584 TIMING: 1405000 CPU: 4190.6, 0.0030235/step Wall: 4190.6, 0.0030235/step, 3.0193 hours remaining, 206.714844 MB of memory in use. ENERGY: 1405000 704.3965 2044.5356 1929.2029 112.6090 -206332.4726 17838.3243 0.0000 0.0000 34391.0564 -149312.3479 300.3456 -183703.4043 -149222.2175 299.2172 5.2023 38.7844 557201.1696 19.0408 18.8708 PRESSURE: 1405200 91.7156 51.2078 -41.1446 51.2079 -32.5756 -126.159 -41.1444 -126.158 4.42973 GPRESSURE: 1405200 111.846 160.516 -34.2454 -43.9068 0.907007 -123.518 -56.6495 -108.016 48.2179 PRESSAVG: 1405200 -23.3696 -12.3356 -32.2708 -12.3356 16.1305 -9.34766 -32.2707 -9.34742 -18.2136 GPRESSAVG: 1405200 -24.9981 -15.5977 -37.1406 -12.9013 16.6342 -11.3455 -30.8976 -9.18123 -17.5966 TIMING: 1405200 CPU: 4191.21, 0.00301126/step Wall: 4191.21, 0.00301126/step, 3.00691 hours remaining, 206.714844 MB of memory in use. ENERGY: 1405200 744.6639 2094.3082 1952.4006 117.9602 -206303.9510 17876.3789 0.0000 0.0000 34151.8572 -149366.3819 298.2567 -183518.2391 -149271.7919 299.5749 21.1899 53.6571 557517.0948 -8.4842 -8.6535 PRESSURE: 1405400 96.1117 -265.118 60.7666 -265.118 -134.807 11.3749 60.7674 11.3718 -135.815 GPRESSURE: 1405400 126.179 -249.537 81.3759 -217.999 -110.471 39.8241 55.7093 9.08402 -99.9886 PRESSAVG: 1405400 64.592 -34.2612 18.6224 -34.2612 -43.821 45.9552 18.6224 45.9553 -26.0623 GPRESSAVG: 1405400 65.5857 -31.0082 20.6275 -36.1268 -43.6789 48.4815 18.109 46.1179 -27.465 TIMING: 1405400 CPU: 4191.81, 0.00301193/step Wall: 4191.81, 0.00301193/step, 3.00741 hours remaining, 206.714844 MB of memory in use. ENERGY: 1405400 727.3856 2004.4118 1910.8265 117.1461 -206109.2848 17783.9858 0.0000 0.0000 34176.6982 -149388.8308 298.4736 -183565.5290 -149286.9997 298.2694 -58.1699 -28.0935 557338.3435 -1.7637 -1.8527 PRESSURE: 1405600 -210.339 10.7841 8.77884 10.7845 82.2158 183.165 8.77823 183.164 -34.3986 GPRESSURE: 1405600 -117.823 -63.9359 40.11 73.1069 54.6625 250.085 -58.6259 79.7515 -0.00449133 PRESSAVG: 1405600 35.4884 -69.5705 14.5449 -69.5706 6.28333 -29.8552 14.5448 -29.8553 -51.7959 GPRESSAVG: 1405600 35.3095 -70.7593 14.4565 -67.5643 6.21371 -30.7518 15.6771 -30.7794 -51.1961 TIMING: 1405600 CPU: 4192.41, 0.00300432/step Wall: 4192.41, 0.00300432/step, 2.99965 hours remaining, 206.714844 MB of memory in use. ENERGY: 1405600 744.4062 2081.6951 1919.3119 98.1785 -206067.3291 17674.6984 0.0000 0.0000 34198.9698 -149350.0693 298.6681 -183549.0391 -149256.4976 298.8357 -54.1739 -21.0552 557188.5631 -3.3414 -3.2243 PRESSURE: 1405800 25.7738 -173.005 107.397 -173.006 27.4363 -31.6259 107.399 -31.625 -19.8448 GPRESSURE: 1405800 -32.2211 -144.968 47.6022 -105.801 104.772 -62.3603 149.565 48.6848 58.6771 PRESSAVG: 1405800 -33.1837 31.9086 -34.7146 31.9087 85.8551 -33.5238 -34.7146 -33.5237 -48.4396 GPRESSAVG: 1405800 -31.2548 32.751 -35.6516 32.3053 84.7595 -33.2089 -33.7369 -33.0726 -49.1011 TIMING: 1405800 CPU: 4193.01, 0.002986/step Wall: 4193.01, 0.002986/step, 2.98119 hours remaining, 206.714844 MB of memory in use. ENERGY: 1405800 762.3684 2065.6788 1901.9717 104.2952 -206142.9650 17833.9450 0.0000 0.0000 34099.7902 -149374.9157 297.8019 -183474.7059 -149281.3266 298.5840 11.1218 43.7426 555522.3335 1.4106 1.4679 PRESSURE: 1406000 -108.033 -133.863 -134.403 -133.864 -246.803 -41.023 -134.404 -41.0235 -119.893 GPRESSURE: 1406000 -101.19 -107.458 -151.508 -127.48 -155.524 -103.83 -141.599 17.3384 -110.194 PRESSAVG: 1406000 25.0233 -1.57876 50.4232 -1.57872 26.9229 -48.9921 50.4233 -48.992 -66.5396 GPRESSAVG: 1406000 24.1331 -1.00312 49.1221 -1.39009 27.1977 -48.0998 50.3469 -47.8832 -65.7885 TIMING: 1406000 CPU: 4193.6, 0.00298038/step Wall: 4193.6, 0.00298038/step, 2.97542 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1406000 725.0112 2136.3259 1918.7476 99.7927 -205784.5353 17569.0803 0.0000 0.0000 33962.0249 -149373.5528 296.5988 -183335.5778 -149283.8005 299.0082 -158.2431 -122.3025 558245.6816 -4.8645 -4.8193 PRESSURE: 1406200 -173.338 -123.923 -137.706 -123.924 53.5423 -68.108 -137.705 -68.1098 -181.082 GPRESSURE: 1406200 -136.339 -122.21 -202.454 -84.5925 53.5018 -57.5786 -47.1219 -180.969 -121.848 PRESSAVG: 1406200 -9.22616 6.33725 -32.0416 6.33712 48.1396 -55.3674 -32.0416 -55.3674 -38.5721 GPRESSAVG: 1406200 -10.526 5.31686 -30.4016 4.33429 48.1726 -55.868 -34.3273 -57.2931 -37.3726 TIMING: 1406200 CPU: 4194.2, 0.00298535/step Wall: 4194.2, 0.00298535/step, 2.98021 hours remaining, 206.714844 MB of memory in use. ENERGY: 1406200 764.8372 2062.6816 1938.8223 104.4851 -205907.3154 17474.6825 0.0000 0.0000 34252.4109 -149309.3959 299.1348 -183561.8068 -149216.2999 298.4829 -100.2927 -68.2284 556184.7956 0.1138 0.0913 PRESSURE: 1406400 -414.407 -65.651 41.3865 -65.6514 -231.163 -2.11167 41.385 -2.11036 -144.64 GPRESSURE: 1406400 -377.741 -105.45 -42.2853 -27.9816 -189.238 95.2084 45.0177 12.5551 -139.831 PRESSAVG: 1406400 -4.07456 -63.4534 -9.82719 -63.4533 -64.8437 -29.8859 -9.82716 -29.8859 41.8426 GPRESSAVG: 1406400 -4.22904 -62.537 -9.61714 -64.0151 -63.9012 -30.9875 -9.96131 -27.6187 41.3732 TIMING: 1406400 CPU: 4194.8, 0.0029871/step Wall: 4194.8, 0.0029871/step, 2.98179 hours remaining, 206.714844 MB of memory in use. ENERGY: 1406400 732.4959 2081.7612 1929.6559 108.0326 -206036.5587 17478.9334 0.0000 0.0000 34406.1529 -149299.5267 300.4775 -183705.6795 -149195.5424 299.6984 -263.4033 -235.6033 557703.7077 -9.0252 -8.9190 PRESSURE: 1406600 -89.601 31.5526 -70.9059 31.5529 -2.71079 29.1398 -70.906 29.1395 -50.508 GPRESSURE: 1406600 -159.619 111.65 -87.395 4.86833 109.417 -9.17423 -127.271 9.75557 13.9393 PRESSAVG: 1406600 -32.7298 19.3275 -23.4323 19.3274 -24.2308 65.8002 -23.4324 65.8003 49.2031 GPRESSAVG: 1406600 -32.156 19.7627 -24.4985 20.5564 -23.8908 67.0434 -22.3771 65.2077 48.1914 TIMING: 1406600 CPU: 4195.39, 0.00297978/step Wall: 4195.39, 0.00297978/step, 2.97432 hours remaining, 206.917969 MB of memory in use. ENERGY: 1406600 729.9053 2067.7879 1951.7721 113.1652 -206447.9084 17754.7885 0.0000 0.0000 34533.1519 -149297.3375 301.5866 -183830.4894 -149200.7485 299.6267 -47.6066 -12.0876 557089.0244 -2.5858 -2.6185 PRESSURE: 1406800 -239.427 -19.1012 42.8848 -19.1022 -19.0781 -109.443 42.8855 -109.444 89.9348 GPRESSURE: 1406800 -198.375 -38.0984 89.4093 144.097 2.91416 -66.5503 53.8042 -214.456 128.796 PRESSAVG: 1406800 -2.73804 50.4752 -19.2385 50.4752 -48.3566 -57.6763 -19.2384 -57.6763 40.158 GPRESSAVG: 1406800 -1.54304 51.822 -17.3496 49.7144 -49.7244 -58.3133 -19.6833 -60.2317 40.6921 TIMING: 1406800 CPU: 4195.99, 0.00298153/step Wall: 4195.99, 0.00298153/step, 2.9759 hours remaining, 206.917969 MB of memory in use. ENERGY: 1406800 744.7938 2022.7904 1901.2814 118.0922 -206325.8879 17775.9168 0.0000 0.0000 34379.4781 -149383.5352 300.2445 -183763.0134 -149286.3085 298.7478 -56.1901 -22.2217 557508.3618 -3.6456 -3.5251 PRESSURE: 1407000 -87.6427 109.686 87.6379 109.686 223.325 -185.163 87.6388 -185.162 -170.433 GPRESSURE: 1407000 -77.0214 42.4353 43.5801 157.47 267.275 -161.893 15.9492 -136.246 -127.655 PRESSAVG: 1407000 -38.5595 -29.4772 39.392 -29.4772 32.7724 -23.5255 39.392 -23.5255 -5.37287 GPRESSAVG: 1407000 -40.0492 -31.8944 39.6786 -28.1858 32.9387 -24.1844 38.7328 -21.9992 -3.88663 TIMING: 1407000 CPU: 4196.6, 0.0030277/step Wall: 4196.6, 0.0030277/step, 3.02181 hours remaining, 206.917969 MB of memory in use. ENERGY: 1407000 735.7425 2021.4361 1921.3507 98.6730 -206310.9415 17752.8578 0.0000 0.0000 34418.8992 -149361.9822 300.5888 -183780.8815 -149265.2975 298.8060 -11.5835 20.8662 556699.8097 -3.7200 -3.6657 PRESSURE: 1407200 111.064 54.6072 -39.698 54.6063 -102.41 19.6583 -39.6972 19.6591 67.8137 GPRESSURE: 1407200 146.087 134.603 2.93853 -2.1437 -70.0535 30.1915 -101.24 21.4237 82.767 PRESSAVG: 1407200 -63.603 55.7533 48.4804 55.7533 33.8545 -12.1402 48.4804 -12.1401 32.0942 GPRESSAVG: 1407200 -62.668 55.824 48.6843 55.1478 33.562 -11.2294 49.042 -13.1442 32.05 TIMING: 1407200 CPU: 4197.2, 0.00302794/step Wall: 4197.2, 0.00302794/step, 3.02189 hours remaining, 206.917969 MB of memory in use. ENERGY: 1407200 709.0450 2078.7437 1931.9340 106.7024 -206218.1284 17778.8885 0.0000 0.0000 34223.5456 -149389.2693 298.8827 -183612.8148 -149296.0858 298.8297 25.4891 52.9334 556754.7320 0.7819 0.9813 PRESSURE: 1407400 -10.7027 0.415716 -2.60273 0.415452 -114.848 -12.8538 -2.60278 -12.8536 -63.3138 GPRESSURE: 1407400 16.007 30.972 64.5992 -29.8592 -80.9847 -106.043 -124.139 70.7636 -31.5668 PRESSAVG: 1407400 30.1691 30.4349 -17.6504 30.4349 -45.5846 26.586 -17.6504 26.5859 9.56236 GPRESSAVG: 1407400 30.1353 30.3208 -19.125 31.89 -45.1159 25.449 -17.4668 29.2691 9.32725 TIMING: 1407400 CPU: 4197.8, 0.00299911/step Wall: 4197.8, 0.00299911/step, 2.99294 hours remaining, 206.917969 MB of memory in use. ENERGY: 1407400 704.8845 2086.1094 1895.7318 113.9831 -206273.9953 17778.4603 0.0000 0.0000 34367.7361 -149327.0900 300.1420 -183694.8261 -149229.7688 298.2859 -62.9548 -32.1815 558083.0812 -1.9510 -1.8844 PRESSURE: 1407600 -38.181 -196.701 31.2001 -196.702 106.002 -28.9295 31.2005 -28.9293 -13.9959 GPRESSURE: 1407600 6.38451 -192.656 59.0453 -155.263 104.708 38.0187 73.3702 -81.4004 28.8173 PRESSAVG: 1407600 9.27421 14.1027 14.3362 14.1027 -2.01017 -66.6562 14.3363 -66.6563 8.07884 GPRESSAVG: 1407600 7.92631 16.0056 15.0323 14.4796 -1.10064 -65.4558 15.0142 -67.223 8.79528 TIMING: 1407600 CPU: 4198.4, 0.00300317/step Wall: 4198.4, 0.00300317/step, 2.99683 hours remaining, 206.917969 MB of memory in use. ENERGY: 1407600 770.3304 2027.5366 1950.5859 101.6570 -206143.3871 17752.4294 0.0000 0.0000 34242.5407 -149298.3070 299.0486 -183540.8477 -149206.3854 298.5023 17.9417 46.6365 555572.1901 5.1143 5.2070 PRESSURE: 1407800 -259.11 22.7573 131.734 22.7566 -284.042 -35.6581 131.734 -35.6584 -398.829 GPRESSURE: 1407800 -256.638 8.63557 84.0444 44.8182 -246.401 -181.18 153.754 -57.5286 -338.989 PRESSAVG: 1407800 21.8382 -13.5711 48.8626 -13.5711 -74.603 10.7769 48.8627 10.7769 3.10648 GPRESSAVG: 1407800 22.5768 -15.8842 48.886 -13.5774 -74.254 7.98346 45.8883 11.0627 2.39408 TIMING: 1407800 CPU: 4199, 0.00298292/step Wall: 4199, 0.00298292/step, 2.97646 hours remaining, 206.917969 MB of memory in use. ENERGY: 1407800 750.2034 2029.7145 1915.7694 112.2051 -205419.3879 17327.1337 0.0000 0.0000 33990.8794 -149293.4824 296.8508 -183284.3619 -149197.9642 298.1542 -313.9936 -280.6760 556747.0607 -16.5528 -16.4277 PRESSURE: 1408000 -118.856 -63.1853 234.264 -63.1849 -258.956 27.9503 234.263 27.9505 -61.5717 GPRESSURE: 1408000 -90.8934 23.7884 248.582 -176.293 -238.707 37.3418 193.119 4.96112 -16.3031 PRESSAVG: 1408000 -9.09131 8.3676 64.5838 8.3676 3.21197 20.2556 64.5838 20.2556 -10.2548 GPRESSAVG: 1408000 -8.96788 9.3482 64.1183 7.77945 2.98716 23.8906 65.9628 18.3683 -9.89215 TIMING: 1408000 CPU: 4199.6, 0.00299291/step Wall: 4199.6, 0.00299291/step, 2.98626 hours remaining, 206.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1408000 723.7257 2019.9560 1936.4209 139.7587 -205832.5105 17475.4483 0.0000 0.0000 34357.0112 -149180.1897 300.0483 -183537.2009 -149085.6255 298.7772 -146.4613 -115.3012 557222.9546 -5.3780 -5.2910 PRESSURE: 1408200 -65.7918 159.685 -1.86376 159.685 -73.2917 -127.53 -1.86282 -127.53 63.2559 GPRESSURE: 1408200 -18.9309 227.143 57.264 35.1868 -91.22 -168.323 10.9206 -152.379 127.272 PRESSAVG: 1408200 52.2435 21.1174 -0.761891 21.1174 -27.4686 -19.6749 -0.761887 -19.6748 26.2025 GPRESSAVG: 1408200 52.3794 20.9845 -1.66566 19.5735 -27.409 -21.3332 0.336029 -18.3845 26.2425 TIMING: 1408200 CPU: 4200.2, 0.00301005/step Wall: 4200.2, 0.00301005/step, 3.00319 hours remaining, 206.917969 MB of memory in use. ENERGY: 1408200 784.5413 2088.5175 1922.4169 114.1458 -206019.6723 17718.1607 0.0000 0.0000 34404.1999 -148987.6901 300.4604 -183391.8900 -148894.0436 299.8372 -25.2758 5.7071 556783.5984 16.9925 17.0710 LDB: ============= START OF LOAD BALANCING ============== 4203.75 LDB: ============== END OF LOAD BALANCING =============== 4203.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4203.75 LDB: ============= START OF LOAD BALANCING ============== 4204.05 LDB: Largest compute 4796 load 0.025063 is 21.2% of average load 0.118177 LDB: Average compute 0.001722 is 1.5% of average load 0.118177 LDB: TIME 4204.05 LOAD: AVG 0.118177 MAX 0.21332 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 4204.05 LOAD: AVG 0.118177 MAX 0.21332 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 4204.05 LOAD: AVG 0.118177 MAX 0.21332 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: ============== END OF LOAD BALANCING =============== 4204.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4204.06 PRESSURE: 1408400 -74.0593 189.644 -132.482 189.643 79.765 -30.2091 -132.483 -30.2112 52.1128 GPRESSURE: 1408400 -43.0227 241.838 -235.07 64.0481 118.716 45.4146 -29.293 -163.357 83.0805 PRESSAVG: 1408400 11.6108 59.0597 6.38109 59.0596 -83.8581 -27.7532 6.38113 -27.7533 38.5539 GPRESSAVG: 1408400 11.4549 58.7341 8.5383 59.5089 -83.2342 -27.4535 4.60044 -28.4666 38.0447 TIMING: 1408400 CPU: 4200.81, 0.00303625/step Wall: 4200.81, 0.00303625/step, 3.02917 hours remaining, 207.226562 MB of memory in use. ENERGY: 1408400 741.9533 2096.7039 1940.2632 117.5397 -205803.7106 17634.1940 0.0000 0.0000 34569.8520 -148703.2045 301.9071 -183273.0565 -148606.4516 300.5830 19.2728 52.9246 556368.8153 -11.2311 -11.2448 PRESSURE: 1408600 -154.832 146.413 30.067 146.414 -87.3198 9.42976 30.0668 9.42999 -94.2862 GPRESSURE: 1408600 -32.7561 118.66 44.3731 179.637 -69.6752 5.62529 67.9707 -50.4819 -130.889 PRESSAVG: 1408600 5.69448 23.1328 27.8092 23.1329 -52.7263 -4.53551 27.8092 -4.53558 60.4168 GPRESSAVG: 1408600 6.10312 22.4459 25.7125 27.1969 -52.7283 -4.68593 29.3784 -4.77833 59.8908 TIMING: 1408600 CPU: 4201.41, 0.00300242/step Wall: 4201.41, 0.00300242/step, 2.99525 hours remaining, 207.226562 MB of memory in use. ENERGY: 1408600 754.6863 1996.0655 1960.5632 110.6990 -205625.5153 17615.7733 0.0000 0.0000 34314.2987 -148873.4293 299.6753 -183187.7280 -148779.2278 300.8167 -112.1460 -77.7736 557588.0180 4.4617 4.4219 PRESSURE: 1408800 -0.115132 35.0453 7.00589 35.0462 45.0862 51.8996 7.00584 51.8987 -134.146 GPRESSURE: 1408800 15.0908 28.8389 -12.8451 50.1247 108.601 51.4483 -8.61872 68.9638 -112.618 PRESSAVG: 1408800 12.6862 15.2527 12.804 15.2527 -41.2572 21.5103 12.804 21.5102 5.86038 GPRESSAVG: 1408800 12.8743 15.9225 14.3583 11.1255 -41.7858 20.9253 13.0636 21.8497 5.93369 TIMING: 1408800 CPU: 4202.01, 0.00301275/step Wall: 4202.01, 0.00301275/step, 3.00538 hours remaining, 207.226562 MB of memory in use. ENERGY: 1408800 772.0083 2094.8720 1929.5217 122.3398 -206030.1031 17859.2663 0.0000 0.0000 34184.7575 -149067.3375 298.5440 -183252.0949 -148972.9372 299.6530 -29.7250 3.6910 557246.4460 -7.5702 -7.6593 PRESSURE: 1409000 -181.615 5.7048 66.7936 5.70276 7.87717 76.7026 66.7932 76.7014 57.2131 GPRESSURE: 1409000 -204.429 -33.3402 105.158 27.113 61.0751 38.028 35.0692 53.1723 112.022 PRESSAVG: 1409000 33.6092 30.2729 15.1859 30.273 -0.603731 -1.1882 15.1858 -1.18821 -0.871021 GPRESSAVG: 1409000 32.624 30.5577 13.7736 29.7864 -1.29323 -1.78832 14.0072 -1.39404 0.0547989 TIMING: 1409000 CPU: 4202.61, 0.00299957/step Wall: 4202.61, 0.00299957/step, 2.99208 hours remaining, 207.226562 MB of memory in use. ENERGY: 1409000 772.8018 2065.0624 1931.3772 106.7635 -206220.9179 17867.5874 0.0000 0.0000 34291.0270 -149186.2986 299.4721 -183477.3256 -149091.5341 299.0708 -38.8417 -10.4439 557659.0245 10.7115 10.4619 PRESSURE: 1409200 105.931 -123.969 19.3727 -123.969 -39.6401 15.7123 19.3725 15.712 -129.68 GPRESSURE: 1409200 122.34 -144.764 18.0119 -123.9 -4.23647 -0.558183 35.7926 56.5384 -96.2859 PRESSAVG: 1409200 23.8406 -48.2474 -30.6715 -48.2475 -5.48368 22.3576 -30.6714 22.3577 -37.6022 GPRESSAVG: 1409200 24.0083 -47.8339 -29.2366 -47.7309 -6.16837 21.8614 -29.7675 22.0864 -37.1832 TIMING: 1409200 CPU: 4203.21, 0.0029821/step Wall: 4203.21, 0.0029821/step, 2.97447 hours remaining, 207.226562 MB of memory in use. ENERGY: 1409200 686.2692 2082.7196 1939.2164 108.0604 -205492.4475 17374.5224 0.0000 0.0000 34314.7416 -148986.9179 299.6792 -183301.6595 -148883.8641 299.9528 -21.1295 7.2726 556384.4734 -6.4151 -6.4478 PRESSURE: 1409400 162.686 -67.0662 -119.873 -67.0673 255.859 -59.4994 -119.873 -59.4976 166.676 GPRESSURE: 1409400 159.825 -46.3143 -188.276 -11.599 296.776 -3.35758 -113.054 -43.1232 224.978 PRESSAVG: 1409400 -27.3953 -33.5205 -15.8276 -33.5204 13.8673 1.35749 -15.8276 1.35738 -3.38987 GPRESSAVG: 1409400 -27.9628 -33.5143 -17.4847 -33.5325 14.5584 3.34755 -14.2389 2.10981 -3.5238 TIMING: 1409400 CPU: 4203.8, 0.00298023/step Wall: 4203.8, 0.00298023/step, 2.97245 hours remaining, 207.226562 MB of memory in use. ENERGY: 1409400 713.9103 2045.9515 1940.0352 116.2093 -206382.6744 18122.3532 0.0000 0.0000 34363.7391 -149080.4758 300.1071 -183444.2149 -148989.7313 298.9819 195.0737 227.1929 557460.0194 -5.6393 -5.6427 PRESSURE: 1409600 82.1842 -40.8635 -75.9596 -40.8642 -95.1239 -68.78 -75.9583 -68.782 -150.003 GPRESSURE: 1409600 93.9547 22.0226 -106.808 -154.273 -33.027 -21.8727 -16.6418 -46.8653 -126.535 PRESSAVG: 1409600 -0.328478 -31.2878 -60.3593 -31.2878 -23.0672 -12.3425 -60.3593 -12.3427 7.96757 GPRESSAVG: 1409600 0.314604 -30.0203 -59.116 -31.1991 -23.0483 -14.7378 -63.5306 -11.3059 7.03662 TIMING: 1409600 CPU: 4204.4, 0.00298538/step Wall: 4204.4, 0.00298538/step, 2.97742 hours remaining, 207.226562 MB of memory in use. ENERGY: 1409600 733.9933 1993.5821 1937.3427 115.5673 -205772.4543 17463.8219 0.0000 0.0000 34399.3006 -149128.8463 300.4176 -183528.1469 -149035.9763 299.3317 -54.3142 -21.8690 557243.1639 -5.1427 -5.2324 PRESSURE: 1409800 129.32 28.4795 39.3233 28.4806 25.9611 2.28795 39.3233 2.28831 -94.2588 GPRESSURE: 1409800 127.992 -113.949 75.6562 44.6145 47.286 36.0898 -15.8584 46.9171 -28.9821 PRESSAVG: 1409800 23.0781 -60.8061 45.5969 -60.8062 48.7552 19.4799 45.5969 19.4799 -45.7338 GPRESSAVG: 1409800 21.286 -63.6584 44.929 -59.3402 49.3233 20.4282 46.8576 17.8836 -43.9496 TIMING: 1409800 CPU: 4205, 0.00301258/step Wall: 4205, 0.00301258/step, 3.00438 hours remaining, 207.226562 MB of memory in use. ENERGY: 1409800 725.8763 2059.5176 1921.4722 100.8771 -205965.1519 17906.1892 0.0000 0.0000 34101.9750 -149149.2446 297.8210 -183251.2196 -149056.9930 299.0977 20.3407 48.7652 559616.5764 8.6998 8.8866 PRESSURE: 1410000 -170.811 -70.6215 -19.6412 -70.6212 -8.26831 6.74098 -19.6404 6.74244 -201.667 GPRESSURE: 1410000 -100.924 -30.2265 19.5668 -101.887 44.4789 19.7741 -33.0383 -71.8657 -214.694 PRESSAVG: 1410000 22.2389 -47.5613 7.76685 -47.5612 -63.5889 65.2435 7.76685 65.2435 57.0294 GPRESSAVG: 1410000 24.5228 -45.7952 10.6577 -49.3408 -62.9382 64.8677 6.23187 65.9877 54.373 TIMING: 1410000 CPU: 4205.6, 0.00301191/step Wall: 4205.6, 0.00301191/step, 3.00354 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1410000 771.0214 2055.6528 1926.5427 114.7406 -206139.8198 17834.3674 0.0000 0.0000 34424.7100 -149012.7848 300.6396 -183437.4948 -148916.0155 299.7485 -126.9155 -90.3798 558023.6159 5.2264 5.3192 PRESSURE: 1410200 -94.3998 -66.3585 35.5655 -66.3599 12.5996 -45.0404 35.5664 -45.0399 79.045 GPRESSURE: 1410200 -22.693 -120.758 -46.0872 -41.3881 24.3655 -50.2843 93.4236 -2.65119 102.265 PRESSAVG: 1410200 -30.7119 -30.1757 50.8891 -30.1758 18.8372 -12.3284 50.8892 -12.3284 -28.027 GPRESSAVG: 1410200 -31.832 -31.0103 47.466 -29.6253 19.0036 -11.4559 52.5796 -12.8489 -26.599 TIMING: 1410200 CPU: 4206.21, 0.00303476/step Wall: 4206.21, 0.00303476/step, 3.02616 hours remaining, 207.226562 MB of memory in use. ENERGY: 1410200 711.3552 2040.5719 1933.5977 118.7965 -205779.3382 17730.7537 0.0000 0.0000 34254.2511 -148990.0122 299.1509 -183244.2633 -148891.8438 299.6252 -0.9184 34.6457 559040.1005 -13.3006 -13.1424 PRESSURE: 1410400 58.9105 132.647 -78.841 132.647 325.035 -55.6357 -78.8398 -55.6375 -110.779 GPRESSURE: 1410400 69.0028 81.7248 -93.1266 137.946 354.303 -3.06952 -16.4727 7.84079 -45.8088 PRESSAVG: 1410400 -28.9186 -20.2376 2.23159 -20.2377 1.72594 -18.4176 2.23164 -18.4177 53.7888 GPRESSAVG: 1410400 -29.7672 -19.3188 4.35905 -21.7212 1.41133 -15.9576 2.6846 -20.0063 54.6006 TIMING: 1410400 CPU: 4206.81, 0.0030174/step Wall: 4206.81, 0.0030174/step, 3.00868 hours remaining, 207.226562 MB of memory in use. ENERGY: 1410400 734.0585 2066.8020 1897.9725 115.6784 -206103.4254 18015.8561 0.0000 0.0000 34047.3586 -149225.6991 297.3441 -183273.0578 -149124.8962 299.3711 91.0555 125.8323 557794.7567 8.8654 8.7482 PRESSURE: 1410600 45.6714 -0.827075 -44.527 -0.825878 -286.641 32.8985 -44.5252 32.8987 -230.695 GPRESSURE: 1410600 63.6524 -20.3424 -59.1368 -84.415 -212.312 31.5736 40.2933 36.9692 -224.772 PRESSAVG: 1410600 18.2618 -4.99384 40.4997 -4.99379 8.47233 72.9263 40.4997 72.9264 11.9001 GPRESSAVG: 1410600 18.5078 -6.61907 39.0134 -3.47043 9.131 71.5245 39.9332 74.6504 10.8843 TIMING: 1410600 CPU: 4207.42, 0.0030359/step Wall: 4207.42, 0.0030359/step, 3.02696 hours remaining, 207.226562 MB of memory in use. ENERGY: 1410600 735.4831 2090.3162 1921.2185 115.2086 -205556.5019 17392.2448 0.0000 0.0000 34292.2865 -149009.7443 299.4831 -183302.0307 -148919.1699 299.3621 -157.2217 -124.4774 558348.8218 12.8781 12.8410 PRESSURE: 1410800 56.988 60.8352 62.4959 60.835 -65.864 29.3322 62.4961 29.3328 -15.9712 GPRESSURE: 1410800 40.2685 101.519 26.2309 27.8703 -12.2801 75.2933 102.104 5.99305 44.8262 PRESSAVG: 1410800 16.6395 -5.55856 34.6404 -5.55868 -19.6089 10.6143 34.6403 10.6143 29.4455 GPRESSAVG: 1410800 16.8179 -3.66095 36.8748 -6.47314 -21.2622 9.72087 35.1302 10.4 31.0974 TIMING: 1410800 CPU: 4208.02, 0.00300177/step Wall: 4208.02, 0.00300177/step, 2.99276 hours remaining, 207.226562 MB of memory in use. ENERGY: 1410800 780.7373 2064.1145 1960.7329 113.7931 -206344.7068 17897.7824 0.0000 0.0000 34367.2999 -149160.2467 300.1382 -183527.5466 -149068.4512 299.4055 -8.2824 24.2715 557787.5642 8.8254 8.8844 PRESSURE: 1411000 285.448 135.453 -156.251 135.454 8.78307 2.2208 -156.25 2.22034 22.0984 GPRESSURE: 1411000 278.786 178.563 -153.715 108.521 58.7467 -8.95936 -210.362 -33.7144 64.5026 PRESSAVG: 1411000 34.5915 -26.1381 14.0629 -26.138 -68.6799 -29.8023 14.0628 -29.8023 61.0778 GPRESSAVG: 1411000 34.2671 -28.2569 13.7823 -24.6412 -68.3364 -31.19 13.3471 -28.5916 60.8131 TIMING: 1411000 CPU: 4208.62, 0.00300512/step Wall: 4208.62, 0.00300512/step, 2.99593 hours remaining, 207.226562 MB of memory in use. ENERGY: 1411000 769.6232 2084.7329 1907.3664 110.3244 -206580.8697 18074.3096 0.0000 0.0000 34482.9776 -149151.5356 301.1484 -183634.5132 -149050.4926 299.9891 105.4432 134.0118 556379.7507 8.9964 8.9146 PRESSURE: 1411200 -102.784 36.7208 42.8217 36.7196 -245.644 -203.654 42.821 -203.654 -96.4318 GPRESSURE: 1411200 -30.214 77.5185 -9.09265 -4.04279 -217.205 -224.17 148.394 -109.922 -93.9272 PRESSAVG: 1411200 -25.9182 1.59646 -3.22287 1.59638 15.5996 -67.5369 -3.22274 -67.5369 8.68495 GPRESSAVG: 1411200 -26.2596 2.03067 -4.4146 1.14119 16.9805 -65.7536 -4.07255 -69.025 8.51008 TIMING: 1411200 CPU: 4209.22, 0.00298072/step Wall: 4209.22, 0.00298072/step, 2.97144 hours remaining, 207.226562 MB of memory in use. ENERGY: 1411200 721.7960 2100.8131 1938.8410 128.0221 -205687.3708 17522.9438 0.0000 0.0000 34143.6464 -149131.3084 298.1850 -183274.9547 -149031.2094 299.8569 -148.2866 -113.7821 558943.9630 -0.5445 -0.2563 PRESSURE: 1411400 -133.512 58.9482 204.986 58.9478 -144.433 -49.0597 204.985 -49.0598 66.033 GPRESSURE: 1411400 -128.691 69.8562 235.244 144.575 -62.312 53.6054 21.2338 -64.1807 78.5014 PRESSAVG: 1411400 5.76617 23.616 21.6704 23.616 -39.8973 -10.9534 21.6703 -10.9533 41.9736 GPRESSAVG: 1411400 7.06315 26.9941 22.3796 23.0586 -40.616 -11.4738 21.9604 -9.81393 41.8838 TIMING: 1411400 CPU: 4209.82, 0.00298529/step Wall: 4209.82, 0.00298529/step, 2.97583 hours remaining, 207.226562 MB of memory in use. ENERGY: 1411400 773.8425 2087.4839 1892.2226 107.9164 -206195.8251 17738.3686 0.0000 0.0000 34316.3766 -149279.6145 299.6935 -183595.9911 -149179.3647 299.6329 -70.6372 -37.5005 558463.6966 2.6141 2.7770 PRESSURE: 1411600 -35.284 -135.873 -126.876 -135.874 -150.407 73.7105 -126.875 73.7113 -111.375 GPRESSURE: 1411600 13.1883 -118.519 -165.35 -101.352 -90.734 112.841 -180.336 44.2019 -116.739 PRESSAVG: 1411600 -48.8913 3.68525 -10.8527 3.68534 3.57208 3.14799 -10.8526 3.148 12.1944 GPRESSAVG: 1411600 -49.4721 0.342997 -11.2248 5.53234 3.96984 2.46924 -13.0569 1.7296 11.4568 TIMING: 1411600 CPU: 4210.42, 0.00299845/step Wall: 4210.42, 0.00299845/step, 2.98879 hours remaining, 207.226562 MB of memory in use. ENERGY: 1411600 752.0766 2068.8434 1943.7947 112.1887 -206356.2948 17883.3667 0.0000 0.0000 34341.1338 -149254.8911 299.9097 -183596.0248 -149158.7869 298.9595 -99.0218 -64.7614 557571.9412 -11.0416 -11.3485 PRESSURE: 1411800 15.5142 -70.4803 -2.08169 -70.4787 221.404 -61.2122 -2.08116 -61.2116 25.5051 GPRESSURE: 1411800 51.6515 -22.8871 14.7489 -64.8812 253.945 2.2378 28.953 -114.404 47.0943 PRESSAVG: 1411800 23.7766 -29.5492 32.995 -29.5492 5.9196 18.3929 32.995 18.3929 25.6215 GPRESSAVG: 1411800 22.9657 -29.4571 32.9474 -31.0499 5.56248 19.2006 35.7017 19.9365 26.9862 TIMING: 1411800 CPU: 4211.02, 0.00300883/step Wall: 4211.02, 0.00300883/step, 2.99897 hours remaining, 207.226562 MB of memory in use. ENERGY: 1411800 751.9877 2151.3511 1896.9673 119.5685 -206550.4484 18102.6579 0.0000 0.0000 34360.2833 -149167.6326 300.0769 -183527.9159 -149069.9347 298.9770 87.4745 117.5637 557391.3905 18.4393 18.5048 PRESSURE: 1412000 -93.5044 24.4509 -24.0435 24.4498 109.103 -13.1943 -24.044 -13.1956 -0.588783 GPRESSURE: 1412000 -43.0444 129.57 -10.9926 72.6479 126.389 -5.6109 -37.8162 9.33659 28.7117 PRESSAVG: 1412000 -43.2378 -52.5668 65.3936 -52.5667 -15.2325 -27.3586 65.3936 -27.3586 75.7706 GPRESSAVG: 1412000 -42.1837 -51.5432 66.511 -52.1471 -15.6874 -29.1378 63.1238 -26.3308 74.9666 TIMING: 1412000 CPU: 4211.62, 0.00299398/step Wall: 4211.62, 0.00299398/step, 2.984 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1412000 743.4399 2129.2209 1950.1308 104.1804 -206222.3033 17936.7419 0.0000 0.0000 34186.8217 -149171.7677 298.5620 -183358.5894 -149075.0677 299.3673 5.0032 37.3520 558568.4047 5.7668 5.6985 PRESSURE: 1412200 -172.749 41.5857 36.7128 41.5855 -10.0109 107.457 36.7136 107.458 197.38 GPRESSURE: 1412200 -155.775 -40.611 -45.9199 101.992 75.2966 110.349 67.259 40.8959 192.393 PRESSAVG: 1412200 -3.28753 37.802 79.3144 37.802 29.4522 41.6757 79.3145 41.6758 9.57955 GPRESSAVG: 1412200 -2.99592 37.0198 76.953 37.4935 29.5735 43.294 82.3385 41.493 9.1132 TIMING: 1412200 CPU: 4212.22, 0.00299723/step Wall: 4212.22, 0.00299723/step, 2.98707 hours remaining, 207.226562 MB of memory in use. ENERGY: 1412200 729.6350 2120.2903 1928.8333 118.1265 -206132.9880 17747.7397 0.0000 0.0000 34186.5203 -149301.8431 298.5594 -183488.3634 -149203.9454 298.7294 4.8735 37.3050 557828.6358 11.9147 11.8969 LDB: ============= START OF LOAD BALANCING ============== 4215.77 LDB: ============== END OF LOAD BALANCING =============== 4215.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4215.77 LDB: ============= START OF LOAD BALANCING ============== 4216.07 LDB: Largest compute 4796 load 0.025720 is 21.8% of average load 0.118220 LDB: Average compute 0.001728 is 1.5% of average load 0.118220 LDB: TIME 4216.07 LOAD: AVG 0.11822 MAX 0.215083 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.996 MB LDB: TIME 4216.07 LOAD: AVG 0.11822 MAX 0.215083 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: TIME 4216.07 LOAD: AVG 0.11822 MAX 0.215083 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4216.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4216.08 PRESSURE: 1412400 -10.1931 212.237 -48.8322 212.237 -28.6997 71.9191 -48.8331 71.919 162.292 GPRESSURE: 1412400 8.05722 213.04 -60.8149 142.675 29.4217 137.14 -59.9054 15.0614 204.858 PRESSAVG: 1412400 48.0436 -30.9789 53.0216 -30.9789 -35.4651 18.4461 53.0216 18.4461 0.934423 GPRESSAVG: 1412400 46.8327 -28.3386 54.5727 -32.2035 -34.7384 18.5302 50.0069 17.7169 1.92927 TIMING: 1412400 CPU: 4212.83, 0.00307383/step Wall: 4212.83, 0.00307383/step, 3.06325 hours remaining, 206.511719 MB of memory in use. ENERGY: 1412400 732.4654 2038.4082 1921.9193 116.0435 -206222.3831 17862.9446 0.0000 0.0000 34188.0302 -149362.5719 298.5726 -183550.6021 -149265.5969 299.2503 41.1331 80.7789 557016.7008 4.5043 4.6745 PRESSURE: 1412600 231.732 84.0563 161.101 84.0568 -38.8462 -41.4442 161.102 -41.444 -190.294 GPRESSURE: 1412600 240.899 89.5996 60.3226 62.0252 -25.3229 -80.2781 178.104 -12.2942 -121.942 PRESSAVG: 1412600 62.383 58.3295 19.889 58.3295 -22.0316 -23.5558 19.889 -23.5558 -38.2467 GPRESSAVG: 1412600 62.999 54.7147 18.148 60.2688 -21.3442 -22.9268 21.576 -24.7432 -39.5189 TIMING: 1412600 CPU: 4213.43, 0.00297932/step Wall: 4213.43, 0.00297932/step, 2.9689 hours remaining, 206.714844 MB of memory in use. ENERGY: 1412600 766.5156 2056.1352 1922.7194 97.7914 -206163.7048 17725.3080 0.0000 0.0000 34246.4732 -149348.7620 299.0830 -183595.2352 -149259.7784 299.2122 0.8641 31.2113 556072.7586 0.7016 0.7120 PRESSURE: 1412800 -81.5813 -24.8379 -6.89601 -24.8385 -48.0535 -6.61651 -6.89714 -6.61777 -112.869 GPRESSURE: 1412800 -32.4192 -45.8305 45.0743 -0.178046 -21.061 15.2495 11.407 -5.68225 -82.375 PRESSAVG: 1412800 -11.304 -2.23466 58.406 -2.23469 48.9605 -43.4578 58.406 -43.4579 -27.1891 GPRESSAVG: 1412800 -10.3927 -1.08828 60.1146 -0.938505 47.8696 -43.9089 58.201 -40.7245 -27.037 TIMING: 1412800 CPU: 4214.02, 0.0029625/step Wall: 4214.02, 0.0029625/step, 2.95196 hours remaining, 206.714844 MB of memory in use. ENERGY: 1412800 727.3999 2077.9619 1925.3920 101.0894 -206220.9516 17709.5495 0.0000 0.0000 34159.6027 -149519.9562 298.3243 -183679.5589 -149415.5831 299.3350 -80.8347 -45.2851 556597.9457 3.4891 3.4800 PRESSURE: 1413000 -45.3573 -12.6893 164.64 -12.69 -58.3314 18.4215 164.641 18.4207 75.715 GPRESSURE: 1413000 -18.1642 -110.106 67.8899 -24.6303 -15.01 61.5589 143.74 59.7989 105.914 PRESSAVG: 1413000 -21.4356 -27.6361 22.8712 -27.6362 -58.093 10.5764 22.8712 10.5765 24.9668 GPRESSAVG: 1413000 -22.7074 -27.2722 22.1509 -28.6917 -56.9998 10.6574 23.7713 8.55755 24.9854 TIMING: 1413000 CPU: 4214.62, 0.00298391/step Wall: 4214.62, 0.00298391/step, 2.97313 hours remaining, 206.714844 MB of memory in use. ENERGY: 1413000 723.9253 2142.0821 1920.1127 107.4895 -206254.2031 17693.7369 0.0000 0.0000 34227.2527 -149439.6039 298.9151 -183666.8566 -149353.2179 299.2802 -9.3246 24.2467 556242.7188 -18.1873 -18.2406 PRESSURE: 1413200 -182.761 0.827913 -162.537 0.828246 -0.934772 21.5311 -162.536 21.5287 -306.536 GPRESSURE: 1413200 -138.093 -34.9177 -224.889 17.1519 24.9049 15.2391 -157.653 33.2111 -287.64 PRESSAVG: 1413200 25.3679 2.25433 20.2747 2.25436 -1.14309 4.12839 20.2747 4.12829 -56.862 GPRESSAVG: 1413200 26.8997 1.4449 20.8636 2.57047 -2.19203 2.67602 19.3956 4.59256 -57.1291 TIMING: 1413200 CPU: 4215.21, 0.00298763/step Wall: 4215.21, 0.00298763/step, 2.97668 hours remaining, 206.714844 MB of memory in use. ENERGY: 1413200 731.0967 2106.2178 1923.5919 110.5582 -206193.9531 17528.9595 0.0000 0.0000 34348.1821 -149445.3470 299.9712 -183793.5291 -149356.4496 298.9389 -163.4106 -133.6093 556813.3968 -10.8791 -10.8072 PRESSURE: 1413400 195.488 70.968 103.688 70.9692 -115.735 -276.387 103.689 -276.386 116.045 GPRESSURE: 1413400 276.594 62.0502 35.7067 40.1584 -110.571 -341.79 71.6733 -236.997 144.754 PRESSAVG: 1413400 23.1829 -10.5201 67.8972 -10.5201 26.5227 6.75288 67.8973 6.75304 -42.0857 GPRESSAVG: 1413400 23.1524 -10.0692 66.4161 -12.1586 25.9996 6.50093 69.2747 8.4911 -42.1456 TIMING: 1413400 CPU: 4215.81, 0.00297513/step Wall: 4215.81, 0.00297513/step, 2.96405 hours remaining, 206.714844 MB of memory in use. ENERGY: 1413400 728.9369 2083.8287 1938.1199 107.2699 -206360.0677 17919.8626 0.0000 0.0000 34267.2535 -149314.7962 299.2644 -183582.0497 -149215.3075 299.1095 65.2658 103.5922 556059.2104 2.5400 2.3355 PRESSURE: 1413600 209.328 -110.742 12.4387 -110.742 -128.271 -48.0685 12.4395 -48.069 -28.8661 GPRESSURE: 1413600 193.93 -132.764 -64.7973 -66.9615 -25.5079 -98.3741 41.5077 -58.3029 -20.2654 PRESSAVG: 1413600 41.6793 -60.3772 21.3224 -60.3772 -46.8047 -4.74555 21.3224 -4.74566 -1.15556 GPRESSAVG: 1413600 41.0003 -61.3466 22.536 -58.9866 -46.8523 -4.27346 20.9146 -4.88463 -0.329111 TIMING: 1413600 CPU: 4216.41, 0.00298655/step Wall: 4216.41, 0.00298655/step, 2.97527 hours remaining, 206.714844 MB of memory in use. ENERGY: 1413600 756.2632 2122.4571 1937.6073 113.0686 -206402.8824 17985.0027 0.0000 0.0000 34082.2690 -149406.2145 297.6489 -183488.4835 -149318.8539 299.0917 17.3968 49.3856 556163.8613 -2.0937 -2.0604 PRESSURE: 1413800 180.031 15.7628 43.8315 15.7622 168.784 99.7137 43.8302 99.7149 72.8896 GPRESSURE: 1413800 169.992 28.7828 7.91206 22.802 250.697 160.668 -14.7838 122.474 108.275 PRESSAVG: 1413800 121.642 -3.14082 -8.57212 -3.14088 -75.5712 -2.22919 -8.57221 -2.22918 -22.7577 GPRESSAVG: 1413800 120.494 -2.1016 -6.76846 -2.24398 -74.9572 -2.17049 -9.41782 -2.11391 -22.5887 TIMING: 1413800 CPU: 4217, 0.00298545/step Wall: 4217, 0.00298545/step, 2.974 hours remaining, 206.714844 MB of memory in use. ENERGY: 1413800 757.6721 2119.9496 1953.1437 108.2521 -206671.6628 18172.2441 0.0000 0.0000 34195.7187 -149364.6825 298.6397 -183560.4012 -149270.3572 298.6379 140.5684 176.3213 556084.5890 7.7711 7.6492 PRESSURE: 1414000 -25.8443 232.647 -12.9269 232.646 178.095 -31.1802 -12.9277 -31.18 -354.465 GPRESSURE: 1414000 -3.93857 223.41 44.523 202.803 200.809 -26.4105 52.7704 -10.057 -298.012 PRESSAVG: 1414000 103.709 27.943 -4.46851 27.9429 11.7833 -14.9879 -4.4685 -14.9879 -72.6428 GPRESSAVG: 1414000 105.145 27.5242 -5.94439 27.4802 10.9803 -15.8925 -4.77879 -16.0145 -72.9427 TIMING: 1414000 CPU: 4217.6, 0.00297791/step Wall: 4217.6, 0.00297791/step, 2.96633 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1414000 778.0808 2097.4558 1915.6652 105.7596 -206453.8621 17816.3257 0.0000 0.0000 34513.0659 -149227.5091 301.4112 -183740.5750 -149129.9263 299.6209 -67.4048 -33.7138 556073.0294 14.2830 14.3942 PRESSURE: 1414200 -473.106 -20.1915 8.74395 -20.1905 -303.904 -93.2313 8.74458 -93.231 -553.864 GPRESSURE: 1414200 -376.855 -68.5758 -25.6394 67.0957 -281.003 -165.555 50.3221 22.2845 -571.48 PRESSAVG: 1414200 -36.1593 15.5211 -2.3583 15.5212 94.9819 -22.7187 -2.35833 -22.7187 -83.9679 GPRESSAVG: 1414200 -35.1775 15.639 -2.22418 15.8412 94.8962 -20.5604 -1.0703 -23.9159 -84.9183 TIMING: 1414200 CPU: 4218.19, 0.00296695/step Wall: 4218.19, 0.00296695/step, 2.95525 hours remaining, 206.714844 MB of memory in use. ENERGY: 1414200 720.0450 2105.8507 1964.0173 112.3476 -205454.6970 17067.0139 0.0000 0.0000 34201.0348 -149284.3877 298.6861 -183485.4225 -149177.1700 299.5957 -443.6246 -409.7793 557321.4389 -8.3817 -8.3999 PRESSURE: 1414400 -174.175 -14.784 63.236 -14.7824 -288.969 -7.75381 63.2338 -7.75422 -301.517 GPRESSURE: 1414400 -134.107 43.6616 54.9724 -78.5735 -282.963 -21.6228 68.0468 -40.0844 -252.757 PRESSAVG: 1414400 -8.15224 1.55206 -32.3037 1.55208 28.287 -60.9075 -32.3037 -60.9075 -7.39484 GPRESSAVG: 1414400 -9.0873 -0.377481 -32.7108 1.40419 27.8643 -62.0132 -31.7389 -61.8702 -6.1357 TIMING: 1414400 CPU: 4218.79, 0.00297665/step Wall: 4218.79, 0.00297665/step, 2.96474 hours remaining, 206.714844 MB of memory in use. ENERGY: 1414400 743.7450 2069.7247 1951.3642 104.8656 -206118.4429 17482.4796 0.0000 0.0000 34612.6019 -149153.6619 302.2805 -183766.2638 -149061.4150 299.2738 -254.8869 -223.2756 557659.8796 4.2467 4.2138 PRESSURE: 1414600 167.238 -145.55 -25.2362 -145.551 -24.8458 -51.7271 -25.2353 -51.7269 33.1985 GPRESSURE: 1414600 205.119 -59.6243 -91.0849 -140.605 -41.2066 -66.9814 90.1285 -13.2635 106.478 PRESSAVG: 1414600 16.707 -0.192717 34.3425 -0.192679 -33.2382 -15.0361 34.3426 -15.036 -13.0541 GPRESSAVG: 1414600 18.3267 2.39055 33.6531 -0.595794 -33.9705 -13.5897 34.3471 -15.1727 -13.9633 TIMING: 1414600 CPU: 4219.38, 0.00297116/step Wall: 4219.38, 0.00297116/step, 2.95911 hours remaining, 206.714844 MB of memory in use. ENERGY: 1414600 703.6998 2102.1874 1941.7747 110.5685 -206387.0286 17828.7087 0.0000 0.0000 34541.6489 -149158.4407 301.6608 -183700.0895 -149065.6277 300.2373 58.5302 90.1303 556402.6275 -9.8617 -9.8690 PRESSURE: 1414800 -127.497 26.4743 58.789 26.4732 -201.219 -42.3048 58.7896 -42.305 -200.892 GPRESSURE: 1414800 -100.479 11.0119 26.1762 24.6969 -153.721 -105.819 61.0073 -12.5525 -163.597 PRESSAVG: 1414800 54.4287 -55.2607 -29.6439 -55.2608 -43.4137 -40.4534 -29.6439 -40.4533 -15.0024 GPRESSAVG: 1414800 52.5459 -57.2012 -30.8433 -56.53 -42.3526 -43.8723 -30.7015 -37.7147 -14.7867 TIMING: 1414800 CPU: 4219.98, 0.00297993/step Wall: 4219.98, 0.00297993/step, 2.96768 hours remaining, 206.714844 MB of memory in use. ENERGY: 1414800 766.9834 2060.6207 1937.5061 112.8564 -205648.9710 17608.4765 0.0000 0.0000 34140.8686 -149021.6594 298.1607 -183162.5279 -148932.5556 300.4402 -176.5360 -139.2656 557289.8419 -1.3292 -1.5311 PRESSURE: 1415000 74.763 -140.043 73.8546 -140.045 -131.008 -133.798 73.8554 -133.797 -222.484 GPRESSURE: 1415000 131.493 -197.446 25.246 -193.188 -138.794 -52.2341 108.139 -220.853 -163.954 PRESSAVG: 1415000 41.0886 -46.0204 -21.9501 -46.0205 43.7818 -49.6974 -21.9501 -49.6974 -90.2641 GPRESSAVG: 1415000 42.0153 -45.1216 -20.5767 -44.6208 42.7935 -49.3844 -20.6784 -52.2393 -90.331 TIMING: 1415000 CPU: 4220.57, 0.00298468/step Wall: 4220.57, 0.00298468/step, 2.97224 hours remaining, 206.714844 MB of memory in use. ENERGY: 1415000 769.8530 2063.8121 1928.2373 109.1472 -205808.9178 17704.9102 0.0000 0.0000 34293.8013 -148939.1568 299.4963 -183232.9581 -148841.7345 300.2565 -92.9098 -57.0853 557615.5311 -1.7979 -1.8407 PRESSURE: 1415200 14.4532 -107.118 -75.1931 -107.119 -34.1029 129.464 -75.1932 129.465 -160.675 GPRESSURE: 1415200 60.0847 -178.118 -68.1397 -12.1638 -4.28508 86.3563 -62.5257 102.796 -139.6 PRESSAVG: 1415200 -31.1343 -79.0359 -2.0135 -79.0359 71.6357 34.4851 -2.01355 34.4851 -63.0437 GPRESSAVG: 1415200 -32.1415 -78.4026 -0.655715 -79.0608 72.7817 35.1343 -3.9069 37.146 -63.3575 TIMING: 1415200 CPU: 4221.17, 0.00298814/step Wall: 4221.17, 0.00298814/step, 2.97552 hours remaining, 206.714844 MB of memory in use. ENERGY: 1415200 730.4691 2110.7873 1923.0844 112.8831 -205667.6190 17668.4601 0.0000 0.0000 34260.0335 -148861.9015 299.2014 -183121.9350 -148771.0204 300.1480 -60.1084 -27.9336 558550.2520 -7.5141 -7.5724 PRESSURE: 1415400 -23.9742 4.03896 -29.1083 4.04035 -176.496 115.039 -29.1089 115.039 49.7866 GPRESSURE: 1415400 16.3842 -53.6181 -24.0447 -87.8107 -114.649 34.4887 15.5385 158.559 51.8615 PRESSAVG: 1415400 -0.589566 -16.3665 -1.47662 -16.3666 2.93046 21.3599 -1.47663 21.3598 59.6112 GPRESSAVG: 1415400 -2.29753 -17.9102 -3.17538 -15.6113 3.69283 21.8505 0.474484 17.7142 60.815 TIMING: 1415400 CPU: 4221.77, 0.00298718/step Wall: 4221.77, 0.00298718/step, 2.97441 hours remaining, 206.714844 MB of memory in use. ENERGY: 1415400 742.8643 2060.5232 1912.8878 112.3868 -205850.0583 17616.0305 0.0000 0.0000 34445.0234 -148960.3422 300.8170 -183405.3656 -148861.0777 300.2805 -50.2280 -15.4677 557301.8297 20.6507 20.7368 PRESSURE: 1415600 -104.23 -29.3808 -133.98 -29.3816 -9.99798 -73.236 -133.981 -73.236 -61.3507 GPRESSURE: 1415600 -69.162 -10.1844 -154.238 42.7726 33.0597 -123.835 -213.976 -100.702 -45.5126 PRESSAVG: 1415600 -49.308 -0.341189 7.31446 -0.341242 63.0038 -8.83819 7.3144 -8.83823 3.23799 GPRESSAVG: 1415600 -48.2132 -0.195384 11.2681 0.0678266 62.4711 -6.18191 4.01266 -7.68118 2.37094 TIMING: 1415600 CPU: 4222.37, 0.00300085/step Wall: 4222.37, 0.00300085/step, 2.98785 hours remaining, 206.714844 MB of memory in use. ENERGY: 1415600 759.9354 2153.6913 1902.7330 113.5506 -206209.1959 17993.6081 0.0000 0.0000 34227.7279 -149057.9496 298.9193 -183285.6775 -148962.7658 300.5487 -58.5261 -27.2050 558260.8793 5.6446 5.5430 PRESSURE: 1415800 20.8291 -5.67695 -14.2706 -5.67499 311.163 100.275 -14.2711 100.276 -93.3551 GPRESSURE: 1415800 56.3975 40.4638 -64.3872 -64.7229 329.509 90.5008 -16.8561 133.92 -53.2534 PRESSAVG: 1415800 -54.1057 34.6144 -45.6449 34.6144 52.4475 3.52335 -45.645 3.52338 -71.0458 GPRESSAVG: 1415800 -53.7221 36.144 -50.023 33.5222 52.3922 2.95617 -43.2787 2.59675 -71.4895 TIMING: 1415800 CPU: 4222.96, 0.00296993/step Wall: 4222.96, 0.00296993/step, 2.95689 hours remaining, 206.714844 MB of memory in use. ENERGY: 1415800 788.4029 2096.4724 1909.4573 117.9533 -206273.3941 18000.0698 0.0000 0.0000 34247.4146 -149113.6238 299.0912 -183361.0384 -149018.3232 299.8396 79.5456 110.8842 557487.8076 -24.2347 -24.2731 PRESSURE: 1416000 220.88 46.355 13.0711 46.3553 198.089 -9.82627 13.0724 -9.8274 -84.1749 GPRESSURE: 1416000 221.363 72.353 -83.8342 -20.0423 225.294 36.1063 131.953 -33.5171 -14.5077 PRESSAVG: 1416000 -53.7042 4.61319 31.1106 4.6132 79.4002 80.8365 31.1106 80.8365 -21.3867 GPRESSAVG: 1416000 -54.189 2.48197 34.0688 4.60018 80.46 77.9927 30.7421 81.836 -22.0674 TIMING: 1416000 CPU: 4223.56, 0.00298256/step Wall: 4223.56, 0.00298256/step, 2.9693 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1416000 733.4936 2084.4924 1946.0441 102.0074 -206076.1484 17916.6289 0.0000 0.0000 34462.0071 -148831.4749 300.9653 -183293.4820 -148732.1800 300.2233 111.5979 144.0497 557687.7601 1.4364 1.4012 PRESSURE: 1416200 134.841 59.7316 168.799 59.7311 -123.219 -190.933 168.799 -190.935 -51.7251 GPRESSURE: 1416200 158.681 54.0576 107.702 30.9995 -79.4433 -239.599 121.347 -208.434 -30.213 PRESSAVG: 1416200 -44.4736 28.7432 34.0609 28.7432 18.0588 12.821 34.0608 12.821 67.3734 GPRESSAVG: 1416200 -44.0567 29.4864 31.3792 29.0637 16.2385 13.0785 34.6284 15.3304 69.0783 TIMING: 1416200 CPU: 4224.16, 0.00299144/step Wall: 4224.16, 0.00299144/step, 2.97798 hours remaining, 206.714844 MB of memory in use. ENERGY: 1416200 757.1795 2069.8665 1952.1690 115.9854 -205761.7439 17564.8394 0.0000 0.0000 34405.8920 -148895.8121 300.4752 -183301.7041 -148794.1130 300.1596 -13.3675 16.3416 556941.8029 13.6529 13.7534 LDB: ============= START OF LOAD BALANCING ============== 4227.71 LDB: ============== END OF LOAD BALANCING =============== 4227.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4227.71 LDB: ============= START OF LOAD BALANCING ============== 4228.01 LDB: Largest compute 4796 load 0.025109 is 21.2% of average load 0.118233 LDB: Average compute 0.001732 is 1.5% of average load 0.118233 LDB: TIME 4228.01 LOAD: AVG 0.118233 MAX 0.21571 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.023 MB LDB: TIME 4228.01 LOAD: AVG 0.118233 MAX 0.21571 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.023 MB LDB: TIME 4228.01 LOAD: AVG 0.118233 MAX 0.21571 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.023 MB LDB: ============== END OF LOAD BALANCING =============== 4228.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4228.02 PRESSURE: 1416400 -84.6116 140.877 -72.1019 140.878 -183.528 -155.88 -72.1021 -155.879 -118.978 GPRESSURE: 1416400 1.35377 207.329 -34.7424 182.383 -143.531 -162.595 -85.2232 -53.8415 -137.166 PRESSAVG: 1416400 -61.9459 0.515782 51.2059 0.515721 31.9111 -5.54949 51.206 -5.54958 -11.4016 GPRESSAVG: 1416400 -60.8197 0.439057 53.4129 -0.32141 32.2512 -4.96037 49.713 -7.22095 -12.6964 TIMING: 1416400 CPU: 4224.77, 0.0030576/step Wall: 4224.77, 0.0030576/step, 3.04367 hours remaining, 207.792969 MB of memory in use. ENERGY: 1416400 730.0596 2098.3236 1938.6914 116.2291 -205696.2355 17473.6570 0.0000 0.0000 34660.4997 -148678.7751 302.6988 -183339.2748 -148576.6022 300.3450 -129.0391 -93.1145 558391.5971 -13.8121 -13.7549 PRESSURE: 1416600 164.197 -51.4555 41.7324 -51.4556 250.108 -97.4857 41.7323 -97.4861 147.693 GPRESSURE: 1416600 109.351 -175.643 0.674963 -85.196 261.696 -82.2952 68.743 -99.2214 286.644 PRESSAVG: 1416600 -48.2044 6.01635 25.5034 6.01634 24.0098 41.5854 25.5034 41.5855 41.0091 GPRESSAVG: 1416600 -48.5252 7.27053 26.649 5.7509 23.2043 41.6257 25.0382 42.1034 41.8404 TIMING: 1416600 CPU: 4225.37, 0.00301538/step Wall: 4225.37, 0.00301538/step, 3.00148 hours remaining, 207.992188 MB of memory in use. ENERGY: 1416600 746.7981 2154.2847 1954.1942 124.8155 -206330.5723 17985.2788 0.0000 0.0000 34687.2933 -148677.9076 302.9328 -183365.2009 -148573.8316 301.3394 187.3329 219.2305 556832.1945 5.6048 5.5065 PRESSURE: 1416800 -90.6976 3.7805 -151.236 3.78032 221.898 -152.187 -151.237 -152.185 -236.213 GPRESSURE: 1416800 -34.2081 23.8689 -161.615 38.3768 260.898 -72.8398 -174.734 -179.609 -219.914 PRESSAVG: 1416800 -3.7451 -49.8896 -23.1279 -49.8897 25.0177 -103.409 -23.128 -103.409 -36.8753 GPRESSAVG: 1416800 -3.62056 -50.3254 -23.3589 -48.1167 26.3117 -104.35 -23.2182 -103.34 -37.6613 TIMING: 1416800 CPU: 4225.97, 0.0029814/step Wall: 4225.97, 0.0029814/step, 2.96749 hours remaining, 207.992188 MB of memory in use. ENERGY: 1416800 737.7957 2088.1225 1956.5722 120.5558 -205619.6971 17644.3439 0.0000 0.0000 34301.7061 -148770.6010 299.5653 -183072.3072 -148675.2903 301.2102 -35.0044 2.2587 557575.6949 -5.2009 -4.9901 PRESSURE: 1417000 -557.224 99.3408 -31.0993 99.3394 -19.3368 54.4276 -31.1001 54.427 -166.721 GPRESSURE: 1417000 -463.779 161.658 -27.4727 60.5022 25.8826 54.5163 -0.746868 89.7772 -204.289 PRESSAVG: 1417000 -40.6065 24.5895 -18.5462 24.5894 86.7779 37.4477 -18.5462 37.4477 -17.2399 GPRESSAVG: 1417000 -40.8673 24.785 -19.6081 23.0269 84.8419 40.7819 -17.6277 36.1973 -15.5596 TIMING: 1417000 CPU: 4226.56, 0.0029755/step Wall: 4226.56, 0.00297551/step, 2.96145 hours remaining, 207.992188 MB of memory in use. ENERGY: 1417000 777.5007 2105.2155 1942.0867 108.1389 -205300.8895 17279.8887 0.0000 0.0000 34428.1528 -148659.9063 300.6696 -183088.0591 -148560.3608 300.5179 -247.7605 -214.0619 558724.6475 9.6439 9.4717 PRESSURE: 1417200 110.589 67.2292 145.641 67.2293 18.5596 -0.274095 145.641 -0.274058 -62.0143 GPRESSURE: 1417200 153.997 36.4061 95.7942 112.987 65.5003 12.3684 208.234 -33.721 -56.3785 PRESSAVG: 1417200 -6.90497 31.4277 -55.5028 31.4277 51.2383 -17.6422 -55.5027 -17.6422 0.689761 GPRESSAVG: 1417200 -6.35782 31.6239 -54.6261 31.5353 51.6942 -19.8034 -56.1714 -15.6658 -0.275987 TIMING: 1417200 CPU: 4227.16, 0.00298823/step Wall: 4227.16, 0.00298823/step, 2.97395 hours remaining, 207.992188 MB of memory in use. ENERGY: 1417200 777.5822 2106.1595 1940.9380 133.7020 -205997.5173 17852.8549 0.0000 0.0000 34395.2437 -148791.0370 300.3822 -183186.2807 -148699.6660 299.8708 22.3781 54.3729 557634.2904 15.0077 15.0201 PRESSURE: 1417400 -70.8864 102.045 10.5523 102.046 -75.9821 125.27 10.5517 125.271 -198.255 GPRESSURE: 1417400 -22.1835 124.114 -53.2434 111.856 -93.0419 125.656 10.4075 71.4774 -156.242 PRESSAVG: 1417400 50.4902 13.1307 35.0019 13.1307 -36.6028 25.1195 35.002 25.1194 -21.7947 GPRESSAVG: 1417400 49.249 12.6243 35.0476 14.5965 -35.406 24.4532 37.355 23.0885 -22.2017 TIMING: 1417400 CPU: 4227.76, 0.00301221/step Wall: 4227.76, 0.00301221/step, 2.99765 hours remaining, 207.992188 MB of memory in use. ENERGY: 1417400 762.3603 2127.8782 1949.7442 117.0463 -205663.9572 17670.7813 0.0000 0.0000 34394.9628 -148641.1841 300.3798 -183036.1468 -148552.0559 300.6443 -115.0411 -90.4890 558860.4034 -2.6358 -2.7862 PRESSURE: 1417600 -44.9881 -119.604 108.665 -119.605 90.7432 -88.3089 108.665 -88.3068 290.189 GPRESSURE: 1417600 23.635 -154.004 46.001 -172.577 157.208 -170.564 122.98 -34.1589 254.504 PRESSAVG: 1417600 -40.0795 6.34573 2.12319 6.34568 -12.9269 16.7409 2.1232 16.7409 52.5032 GPRESSAVG: 1417600 -40.3049 7.3361 1.29067 5.01873 -13.4864 18.1908 -0.585983 15.3591 52.4984 TIMING: 1417600 CPU: 4228.37, 0.00301525/step Wall: 4228.37, 0.00301525/step, 3.00051 hours remaining, 207.992188 MB of memory in use. ENERGY: 1417600 711.0861 2104.1927 1939.5833 132.8961 -205976.8273 17910.7740 0.0000 0.0000 34457.2012 -148721.0939 300.9233 -183178.2951 -148630.0999 301.2099 111.9814 145.1157 558463.6520 -0.1677 -0.4310 PRESSURE: 1417800 156.281 -169.011 134.741 -169.011 -4.85171 -110.586 134.742 -110.585 -31.8683 GPRESSURE: 1417800 193.245 -187.457 77.1551 -125.631 29.4389 -81.4795 169.031 -160.114 -18.1506 PRESSAVG: 1417800 -5.18985 9.21023 -18.8201 9.21034 59.0273 -54.6581 -18.8201 -54.6581 8.57229 GPRESSAVG: 1417800 -5.3231 7.67949 -19.4149 10.5388 60.1258 -55.0084 -15.7485 -51.9849 8.67062 TIMING: 1417800 CPU: 4228.97, 0.00300839/step Wall: 4228.97, 0.00300839/step, 2.99352 hours remaining, 207.992188 MB of memory in use. ENERGY: 1417800 755.4049 2097.3134 1930.3465 118.0762 -205907.7948 17928.4448 0.0000 0.0000 34312.4154 -148765.7935 299.6589 -183078.2089 -148659.0892 300.2958 39.8537 68.1779 558640.7589 20.8032 21.1578 PRESSURE: 1418000 316.268 2.97252 3.17537 2.97373 163.501 -64.453 3.17555 -64.4527 30.5742 GPRESSURE: 1418000 332.415 3.76727 4.74633 -14.419 203.325 -12.14 30.4201 -64.5234 80.669 PRESSAVG: 1418000 86.6005 -28.9224 -15.5945 -28.9223 -83.5783 -27.1296 -15.5945 -27.1297 -32.1815 GPRESSAVG: 1418000 87.5974 -27.8102 -15.6044 -28.7807 -85.142 -27.3933 -14.0676 -27.8646 -31.721 TIMING: 1418000 CPU: 4229.57, 0.00300536/step Wall: 4229.57, 0.00300536/step, 2.99033 hours remaining, 207.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1418000 737.7847 2105.8905 1938.3368 117.0440 -205950.4840 17961.8626 0.0000 0.0000 34501.1694 -148588.3959 301.3073 -183089.5653 -148486.7586 300.9094 170.1144 205.4698 556713.9517 -9.7198 -9.7552 PRESSURE: 1418200 305.378 168.013 -105.259 168.013 253.19 -75.3708 -105.26 -75.3702 194.76 GPRESSURE: 1418200 273.218 226.996 -82.3144 170.179 342.041 -132.84 -155.654 -21.8326 225.793 PRESSAVG: 1418200 8.57476 5.54692 -28.1158 5.54695 36.0347 14.3907 -28.1159 14.3906 -59.1009 GPRESSAVG: 1418200 7.59333 7.22291 -27.1023 3.21097 37.3733 14.6659 -30.5211 15.5643 -60.18 TIMING: 1418200 CPU: 4230.17, 0.00300913/step Wall: 4230.17, 0.00300913/step, 2.99392 hours remaining, 207.992188 MB of memory in use. ENERGY: 1418200 744.4409 2056.4544 1901.0110 109.4329 -206149.8030 18177.5100 0.0000 0.0000 34415.7096 -148745.2442 300.5610 -183160.9538 -148644.8447 301.1298 251.1097 280.3508 558303.2868 -4.8305 -5.0711 PRESSURE: 1418400 -220.797 57.7296 -53.2318 57.7283 40.9138 131.247 -53.2314 131.247 -43.4413 GPRESSURE: 1418400 -202.931 91.4695 -96.5207 -45.9886 24.5511 72.9665 5.78301 31.4728 41.332 PRESSAVG: 1418400 9.77065 16.9565 6.74109 16.9565 3.91765 34.9654 6.74108 34.9655 35.0611 GPRESSAVG: 1418400 9.2998 14.9366 5.32434 17.1676 3.82033 35.6253 9.1365 33.7743 35.546 TIMING: 1418400 CPU: 4230.78, 0.00302354/step Wall: 4230.78, 0.00302354/step, 3.00808 hours remaining, 207.992188 MB of memory in use. ENERGY: 1418400 724.9542 2067.4587 1913.1582 113.5585 -205425.8480 17422.1999 0.0000 0.0000 34336.5759 -148847.9426 299.8699 -183184.5185 -148745.3625 300.9014 -74.4414 -45.6825 557895.4126 16.2498 16.2220 PRESSURE: 1418600 307.943 -72.6874 -178.899 -72.6872 93.6399 16.5081 -178.899 16.507 237.231 GPRESSURE: 1418600 344.224 -60.3166 -161.327 -72.5295 133.625 -37.8867 -233.745 16.1986 248.743 PRESSAVG: 1418600 -13.5171 -32.8953 -0.115168 -32.8953 18.3356 -35.1587 -0.115204 -35.1587 0.167726 GPRESSAVG: 1418600 -14.5689 -33.1131 0.13064 -32.5845 18.4435 -33.4684 -1.4658 -35.3913 1.72591 TIMING: 1418600 CPU: 4231.38, 0.00300945/step Wall: 4231.38, 0.00300945/step, 2.9939 hours remaining, 207.992188 MB of memory in use. ENERGY: 1418600 768.1151 2114.8145 1910.9081 113.2192 -205997.1860 17819.6153 0.0000 0.0000 34472.0764 -148798.4375 301.0532 -183270.5139 -148698.1811 300.2240 212.9382 242.1972 556834.3846 1.6621 1.8668 PRESSURE: 1418800 -226.918 135.911 -129.506 135.912 -45.8653 41.3196 -129.505 41.3192 101.123 GPRESSURE: 1418800 -162.369 147.131 -143.679 81.5165 -15.3171 98.4223 -131.38 8.36359 105.942 PRESSAVG: 1418800 -50.7164 4.97306 -77.9796 4.97302 75.5957 46.5647 -77.9796 46.5648 -22.9505 GPRESSAVG: 1418800 -49.1694 5.15636 -78.9377 3.59582 75.7674 47.0513 -78.7759 46.4162 -24.3797 TIMING: 1418800 CPU: 4231.98, 0.00301236/step Wall: 4231.98, 0.00301236/step, 2.99663 hours remaining, 207.992188 MB of memory in use. ENERGY: 1418800 765.9188 2103.0954 1959.4853 110.0012 -205543.0743 17392.3921 0.0000 0.0000 34308.3139 -148903.8676 299.6230 -183212.1815 -148799.6560 300.9476 -57.2200 -23.9147 556229.3564 0.6429 0.7394 PRESSURE: 1419000 -302.317 -8.94275 -88.4129 -8.9434 -295.965 -134.963 -88.4137 -134.962 -495.444 GPRESSURE: 1419000 -222.613 -36.6628 -92.076 -71.757 -310.937 -151.002 -97.336 -156.812 -463.564 PRESSAVG: 1419000 -1.54721 -40.9244 -26.5201 -40.9245 -28.0718 38.2217 -26.5202 38.2216 23.7771 GPRESSAVG: 1419000 -0.906734 -39.3979 -24.1181 -40.1422 -29.438 36.7198 -26.0223 38.0513 24.2787 TIMING: 1419000 CPU: 4232.58, 0.00300214/step Wall: 4232.58, 0.00300214/step, 2.9863 hours remaining, 207.992188 MB of memory in use. ENERGY: 1419000 756.8069 2065.8380 1945.3042 110.7001 -205460.3947 17154.4626 0.0000 0.0000 34193.4332 -149233.8497 298.6198 -183427.2829 -149139.2365 300.1290 -364.5751 -332.3714 557043.2790 -1.9473 -2.0220 PRESSURE: 1419200 31.254 99.1856 -59.8796 99.185 -344.976 -12.5052 -59.8792 -12.5062 -228.087 GPRESSURE: 1419200 95.3597 119.803 -47.2277 76.6241 -339.271 -84.0968 -11.9633 -10.1861 -197.237 PRESSAVG: 1419200 56.0199 58.4084 -29.8559 58.4084 -30.8556 -1.40578 -29.8559 -1.40568 -13.9417 GPRESSAVG: 1419200 54.9775 58.1314 -30.42 59.1637 -29.7585 -2.5835 -29.9093 0.68071 -13.2168 TIMING: 1419200 CPU: 4233.18, 0.0029871/step Wall: 4233.18, 0.0029871/step, 2.97117 hours remaining, 207.992188 MB of memory in use. ENERGY: 1419200 781.5123 2071.3207 1941.1549 119.5503 -205813.0826 17433.6569 0.0000 0.0000 34410.5305 -149055.3569 300.5157 -183465.8874 -148959.6714 299.7128 -180.6029 -147.0495 555589.0888 3.7408 4.0007 PRESSURE: 1419400 -157.682 -41.0513 271.342 -41.0511 -115.831 53.9965 271.34 53.9968 83.0347 GPRESSURE: 1419400 -135.089 16.9096 304.035 15.3179 -22.8464 11.4818 217.508 111.444 75.2187 PRESSAVG: 1419400 59.4499 4.38523 4.7486 4.38532 -69.4442 -37.1188 4.74859 -37.1189 42.7606 GPRESSAVG: 1419400 59.8836 3.70005 5.00985 3.51653 -68.9851 -36.8697 3.39073 -38.062 42.3991 TIMING: 1419400 CPU: 4233.78, 0.00301859/step Wall: 4233.78, 0.00301859/step, 3.00232 hours remaining, 207.992188 MB of memory in use. ENERGY: 1419400 786.4791 2081.6041 1927.2471 116.5785 -206137.5159 17733.5899 0.0000 0.0000 34412.9420 -149079.0751 300.5368 -183492.0171 -148978.4177 300.2538 -63.4926 -27.5723 557392.2318 10.9221 11.0992 PRESSURE: 1419600 80.517 79.4114 -46.1428 79.4114 140.645 13.9166 -46.1431 13.9176 -195.918 GPRESSURE: 1419600 99.27 99.9229 -32.0224 73.9383 184.529 -16.9651 -140.241 90.58 -160.267 PRESSAVG: 1419600 -43.4749 31.469 35.4588 31.469 23.3866 -8.49839 35.4588 -8.49836 -18.2495 GPRESSAVG: 1419600 -44.1107 32.6716 34.5058 31.4361 23.7341 -8.29132 36.7856 -9.81846 -18.7095 TIMING: 1419600 CPU: 4234.38, 0.00300361/step Wall: 4234.38, 0.00300361/step, 2.98726 hours remaining, 207.992188 MB of memory in use. ENERGY: 1419600 753.2706 2148.5749 1947.7319 128.0915 -206073.2363 17778.6772 0.0000 0.0000 34209.8044 -149107.0858 298.7627 -183316.8902 -149007.6424 299.9854 8.4148 41.1774 556202.2693 -12.7793 -13.0287 PRESSURE: 1419800 -130.612 185.736 -62.2248 185.735 51.8724 -7.33111 -62.2239 -7.33107 -0.716691 GPRESSURE: 1419800 -93.1903 80.238 -49.8936 168.104 42.979 -18.5616 67.8797 65.5172 69.8688 PRESSAVG: 1419800 -65.9832 73.6373 -18.4386 73.6372 57.1532 31.5277 -18.4384 31.5277 11.0221 GPRESSAVG: 1419800 -66.0461 73.6632 -18.9906 74.4407 57.5689 30.6069 -16.2719 32.8478 10.0981 TIMING: 1419800 CPU: 4234.98, 0.00296707/step Wall: 4234.98, 0.00296707/step, 2.95075 hours remaining, 207.992188 MB of memory in use. ENERGY: 1419800 725.6103 2139.2163 1944.0858 103.1443 -205923.0363 17708.3536 0.0000 0.0000 34237.6748 -149064.9511 299.0061 -183302.6259 -148975.3865 299.5199 -26.4855 6.5525 557697.3600 0.7307 0.5403 PRESSURE: 1420000 -5.37489 -5.17474 -15.48 -5.17516 161.354 97.4336 -15.48 97.4335 -34.2865 GPRESSURE: 1420000 29.2974 -17.8325 -9.31215 -85.1963 157.472 78.1314 -6.21744 110.66 34.1821 PRESSAVG: 1420000 -1.67456 4.72713 20.0352 4.72714 33.6401 24.1142 20.0353 24.114 -12.9419 GPRESSAVG: 1420000 -1.47969 4.27888 21.6941 3.22849 32.8216 25.1096 17.9106 22.5573 -12.4005 TIMING: 1420000 CPU: 4235.58, 0.00301814/step Wall: 4235.58, 0.00301814/step, 3.00137 hours remaining, 207.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1420000 735.2715 2082.8746 1922.2094 110.2030 -205992.4661 17742.2391 0.0000 0.0000 34402.4349 -148997.2336 300.4450 -183399.6684 -148897.1261 299.3414 40.5643 73.6505 556207.2240 6.3412 6.3138 PRESSURE: 1420200 40.0983 -25.3174 35.5951 -25.3178 49.1427 -100.076 35.5922 -100.076 249.601 GPRESSURE: 1420200 106.324 -78.2109 25.527 -63.8688 57.7092 -191.848 52.0317 -56.6626 263.047 PRESSAVG: 1420200 7.64343 3.29464 -44.6076 3.29457 -41.1764 49.8383 -44.6076 49.8384 22.4998 GPRESSAVG: 1420200 8.37766 2.65611 -44.152 3.83999 -41.9548 50.7333 -44.6141 49.7125 22.7114 TIMING: 1420200 CPU: 4236.18, 0.00300052/step Wall: 4236.18, 0.00300052/step, 2.98369 hours remaining, 207.992188 MB of memory in use. ENERGY: 1420200 762.6736 2102.7088 1935.7539 112.8550 -206105.1924 17898.1377 0.0000 0.0000 34317.4610 -148975.6024 299.7029 -183293.0634 -148874.7759 299.8598 112.9474 142.3600 556407.9206 -3.6777 -3.6219 LDB: ============= START OF LOAD BALANCING ============== 4239.73 LDB: ============== END OF LOAD BALANCING =============== 4239.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4239.73 LDB: ============= START OF LOAD BALANCING ============== 4240.03 LDB: Largest compute 4796 load 0.024648 is 20.9% of average load 0.118190 LDB: Average compute 0.001727 is 1.5% of average load 0.118190 LDB: TIME 4240.03 LOAD: AVG 0.11819 MAX 0.213341 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.309 MB LDB: TIME 4240.03 LOAD: AVG 0.11819 MAX 0.213341 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.309 MB LDB: TIME 4240.03 LOAD: AVG 0.11819 MAX 0.213341 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.309 MB LDB: ============== END OF LOAD BALANCING =============== 4240.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4240.04 PRESSURE: 1420400 211.664 202.93 -40.0234 202.93 -122.217 -18.035 -40.024 -18.0344 -188.785 GPRESSURE: 1420400 207.706 287.446 -15.9611 122.275 -88.4997 38.2268 -21.9724 9.30348 -122.445 PRESSAVG: 1420400 -44.2942 12.0877 61.3501 12.0876 -23.2999 -32.1591 61.35 -32.1592 40.3457 GPRESSAVG: 1420400 -43.267 10.7553 62.4081 13.2233 -23.1289 -31.7585 61.6715 -31.7975 38.7061 TIMING: 1420400 CPU: 4236.79, 0.0030555/step Wall: 4236.79, 0.0030555/step, 3.03818 hours remaining, 206.308594 MB of memory in use. ENERGY: 1420400 776.0509 2143.3895 1919.2644 99.0828 -205853.1110 17833.0536 0.0000 0.0000 34232.1102 -148850.1596 298.9575 -183082.2698 -148762.2420 300.9866 -33.1128 -1.0796 557793.7065 -9.0828 -9.2300 PRESSURE: 1420600 -226.328 -81.2263 -80.9925 -81.2261 -16.203 10.1299 -80.9932 10.131 272.812 GPRESSURE: 1420600 -137.629 -54.7039 -68.5281 -68.1998 -44.7385 -97.1679 -77.399 -8.72112 326.352 PRESSAVG: 1420600 -19.2393 38.2742 -20.5198 38.2742 -23.9803 10.0793 -20.5198 10.0793 20.8684 GPRESSAVG: 1420600 -20.5567 39.4433 -21.9795 35.5154 -23.3771 8.36433 -20.1641 10.3326 21.5077 TIMING: 1420600 CPU: 4237.39, 0.00300871/step Wall: 4237.39, 0.00300871/step, 2.99149 hours remaining, 206.308594 MB of memory in use. ENERGY: 1420600 768.8896 2075.9628 1930.4342 119.3909 -206246.8023 17939.9982 0.0000 0.0000 34442.6856 -148969.4409 300.7965 -183412.1265 -148875.8892 300.6335 10.0936 47.9950 558491.7773 -7.4504 -7.4754 PRESSURE: 1420800 -110.792 67.4462 -76.5494 67.446 -16.3768 103.072 -76.5493 103.07 -190.535 GPRESSURE: 1420800 -44.0117 155.048 -74.2446 -5.73539 -19.6086 93.1501 -54.6284 91.3371 -154.131 PRESSAVG: 1420800 32.771 -5.2266 -26.3251 -5.22657 -21.0951 17.2837 -26.3252 17.2836 -3.84901 GPRESSAVG: 1420800 32.3944 -5.82136 -24.5421 -3.93611 -21.1942 17.6925 -28.5931 17.886 -3.20767 TIMING: 1420800 CPU: 4238, 0.00301134/step Wall: 4238, 0.00301134/step, 2.99394 hours remaining, 206.308594 MB of memory in use. ENERGY: 1420800 773.0497 2063.2184 1942.5990 123.2890 -206158.3680 17825.4238 0.0000 0.0000 34468.4439 -148962.3442 301.0215 -183430.7880 -148863.4501 300.7747 -105.9011 -72.5836 558602.2275 2.6090 2.6642 PRESSURE: 1421000 -132.462 37.4296 81.9775 37.4302 -74.6344 -126.262 81.9763 -126.264 -92.9531 GPRESSURE: 1421000 -70.4518 -37.4544 68.1957 102.87 19.4093 -186.018 -20.9131 -154.576 -146.562 PRESSAVG: 1421000 -19.1664 19.0609 21.5512 19.0609 20.8459 -29.707 21.5513 -29.7071 -7.66093 GPRESSAVG: 1421000 -19.1003 18.8263 19.9526 19.4872 20.7219 -30.7474 22.1253 -29.463 -7.15766 TIMING: 1421000 CPU: 4238.59, 0.00299612/step Wall: 4238.59, 0.00299612/step, 2.97864 hours remaining, 206.308594 MB of memory in use. ENERGY: 1421000 773.9704 2030.0681 1947.3729 108.3075 -206094.4259 17736.8409 0.0000 0.0000 34450.8520 -149047.0141 300.8679 -183497.8661 -148957.7750 300.2045 -100.0164 -65.8680 556496.9681 -1.9938 -1.8454 PRESSURE: 1421200 40.1972 -89.4091 17.1869 -89.4099 -184.96 49.8989 17.1877 49.9 -385.983 GPRESSURE: 1421200 74.2154 0.91346 -18.9943 -121.793 -170.097 59.4638 25.0607 23.9392 -334.281 PRESSAVG: 1421200 12.396 17.957 -7.18806 17.957 8.89682 12.4468 -7.18817 12.4468 -36.4873 GPRESSAVG: 1421200 12.9331 18.903 -6.218 17.1101 8.82936 11.793 -7.50837 12.7665 -36.6911 TIMING: 1421200 CPU: 4239.19, 0.00298765/step Wall: 4239.19, 0.00298765/step, 2.97006 hours remaining, 206.308594 MB of memory in use. ENERGY: 1421200 727.8343 2124.0991 1926.9493 114.4142 -205414.8506 17391.9080 0.0000 0.0000 34051.1161 -149078.5296 297.3769 -183129.6457 -148984.4976 299.5976 -176.9152 -143.3874 557059.8728 -5.0648 -4.9762 PRESSURE: 1421400 -168.416 -56.0989 51.9953 -56.0999 -65.1523 97.6296 51.9955 97.6316 -95.2707 GPRESSURE: 1421400 -69.0756 -44.4994 2.79264 -42.887 -49.5962 120.19 24.3969 43.1648 -94.3193 PRESSAVG: 1421400 -10.2255 19.0788 -42.0333 19.0787 84.4006 8.53383 -42.0332 8.53387 9.14609 GPRESSAVG: 1421400 -11.1034 19.0042 -42.8605 18.0957 85.3668 9.32875 -41.6994 7.2991 9.01708 TIMING: 1421400 CPU: 4239.79, 0.00299867/step Wall: 4239.79, 0.00299867/step, 2.98084 hours remaining, 206.308594 MB of memory in use. ENERGY: 1421400 784.3803 2111.5557 1928.4348 116.3632 -205803.7855 17645.6122 0.0000 0.0000 34246.1124 -148971.3268 299.0798 -183217.4393 -148882.0865 299.7170 -109.6130 -70.9970 556413.5293 27.7737 27.7602 PRESSURE: 1421600 -25.3768 0.0511386 52.4535 0.0516886 -56.8675 -111.563 52.4523 -111.564 -292.027 GPRESSURE: 1421600 10.9872 -116.09 85.74 90.3484 -2.6874 -25.257 78.032 -166.202 -279.538 PRESSAVG: 1421600 60.5978 -15.9351 -52.7739 -15.9351 22.3821 17.4999 -52.7739 17.4997 -80.3568 GPRESSAVG: 1421600 61.5989 -16.2611 -53.1914 -15.1134 21.6001 20.7824 -52.3204 16.0935 -80.4357 TIMING: 1421600 CPU: 4240.39, 0.00300268/step Wall: 4240.39, 0.00300268/step, 2.98466 hours remaining, 206.308594 MB of memory in use. ENERGY: 1421600 777.7357 2073.2803 1949.7489 124.6481 -205678.6965 17544.6957 0.0000 0.0000 34192.9930 -149015.5947 298.6159 -183208.5877 -148915.4301 299.3645 -124.7570 -90.4126 557246.4697 0.8744 0.9211 PRESSURE: 1421800 38.1762 148.741 -103.057 148.74 -54.9443 78.9158 -103.057 78.9145 -171.535 GPRESSURE: 1421800 100.589 116.205 -56.7662 155.107 -66.5378 52.7306 -95.5735 72.3666 -117.133 PRESSAVG: 1421800 31.5077 30.9223 -4.03214 30.9222 -21.1285 -1.30381 -4.0322 -1.30383 -60.7273 GPRESSAVG: 1421800 31.162 31.0672 -5.8232 32.0033 -21.4859 -3.69673 -2.95765 0.906034 -60.0817 TIMING: 1421800 CPU: 4241, 0.00301541/step Wall: 4241, 0.00301541/step, 2.99715 hours remaining, 206.308594 MB of memory in use. ENERGY: 1421800 697.8534 2107.6460 1925.2767 110.2232 -205887.1077 17531.2076 0.0000 0.0000 34356.9548 -149157.9460 300.0478 -183514.9007 -149059.0426 299.3160 -62.7678 -27.6941 557313.8393 -16.7827 -16.8019 PRESSURE: 1422000 -318.631 -97.6205 167.166 -97.6199 -64.5038 230.393 167.167 230.393 50.0866 GPRESSURE: 1422000 -303.86 -150.54 286.541 -81.7763 -50.2427 127.325 67.4053 286.16 104.801 PRESSAVG: 1422000 -36.4996 5.50786 36.5667 5.50793 -17.4776 19.153 36.5666 19.153 41.8281 GPRESSAVG: 1422000 -37.1228 5.37557 38.6846 5.52667 -16.6122 18.287 33.2913 19.3433 41.6688 TIMING: 1422000 CPU: 4241.59, 0.00299357/step Wall: 4241.59, 0.00299357/step, 2.97527 hours remaining, 206.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1422000 751.1424 2102.5230 1894.6553 106.3214 -205931.1585 17433.6908 0.0000 0.0000 34471.2820 -149171.5436 301.0463 -183642.8255 -149069.7381 300.2138 -111.0160 -83.1006 557336.6156 -4.0497 -4.0221 PRESSURE: 1422200 218.33 60.8523 -11.3355 60.8521 33.3948 55.1923 -11.3372 55.1923 -97.3287 GPRESSURE: 1422200 216.69 58.1326 -58.6229 79.3279 81.2154 50.41 56.3883 -11.3746 -40.6533 PRESSAVG: 1422200 0.900855 -1.62542 48.106 -1.62525 -17.6416 -31.4915 48.1061 -31.4915 9.85277 GPRESSAVG: 1422200 0.448549 -1.79594 46.2254 -1.47182 -16.3082 -31.4423 48.8738 -31.9029 9.32654 TIMING: 1422200 CPU: 4242.19, 0.00297268/step Wall: 4242.19, 0.00297268/step, 2.95435 hours remaining, 206.308594 MB of memory in use. ENERGY: 1422200 718.5435 2078.4000 1921.9985 106.6861 -205746.6685 17608.6389 0.0000 0.0000 34448.6883 -148863.7132 300.8490 -183312.4015 -148766.7472 300.2460 51.4653 85.7506 556322.1526 -2.2960 -2.1777 PRESSURE: 1422400 -273.18 121.17 -110.845 121.17 -213.904 -44.1636 -110.844 -44.1669 -10.9751 GPRESSURE: 1422400 -160.094 92.099 -90.172 172.194 -215.545 -3.57018 -122.101 -11.8443 -29.3413 PRESSAVG: 1422400 25.9618 -43.5568 -22.9361 -43.5569 -48.1012 -28.8789 -22.936 -28.8789 37.2502 GPRESSAVG: 1422400 27.221 -43.5013 -23.7981 -43.5853 -49.4963 -27.4377 -21.4087 -29.0334 36.9224 TIMING: 1422400 CPU: 4242.79, 0.00301801/step Wall: 4242.79, 0.00301801/step, 2.99923 hours remaining, 206.308594 MB of memory in use. ENERGY: 1422400 808.9946 2079.8026 1917.6583 119.7398 -205518.1109 17444.3322 0.0000 0.0000 34186.3435 -148961.2400 298.5578 -183147.5835 -148857.9956 300.6336 -166.0197 -134.9936 558663.3015 5.0369 4.8824 PRESSURE: 1422600 -168.693 -74.8156 186.887 -74.816 147.284 -100.392 186.888 -100.391 105.528 GPRESSURE: 1422600 -99.7447 4.63342 124.039 -140.723 130.339 -88.4588 143.342 -37.7442 155.293 PRESSAVG: 1422600 -22.1878 7.04502 18.4114 7.04509 -20.9276 -13.7877 18.4114 -13.7878 30.7433 GPRESSAVG: 1422600 -23.0982 5.79734 22.2695 6.75411 -21.1402 -13.7174 16.0722 -12.8964 32.0088 TIMING: 1422600 CPU: 4243.39, 0.00300957/step Wall: 4243.39, 0.00300957/step, 2.99067 hours remaining, 206.308594 MB of memory in use. ENERGY: 1422600 754.0988 2065.4831 1932.3732 106.4291 -206213.4034 17845.4212 0.0000 0.0000 34532.7766 -148976.8215 301.5833 -183509.5981 -148888.4919 299.7431 28.0396 61.9624 558129.2395 -4.1240 -4.0765 PRESSURE: 1422800 -208.118 -84.1735 4.89243 -84.1736 3.50467 -16.3506 4.89145 -16.3498 -160.616 GPRESSURE: 1422800 -124.232 -122.853 -12.8303 -103.492 -5.74461 11.9058 22.0423 -114.297 -148.047 PRESSAVG: 1422800 21.7694 -29.4237 18.3847 -29.4238 -53.2125 -7.45186 18.3846 -7.45177 60.4502 GPRESSAVG: 1422800 21.9213 -28.2478 15.6862 -31.5127 -52.693 -8.12374 18.8915 -7.23231 59.584 TIMING: 1422800 CPU: 4243.99, 0.00300414/step Wall: 4243.99, 0.00300414/step, 2.98511 hours remaining, 206.308594 MB of memory in use. ENERGY: 1422800 792.4514 2048.9968 1917.9360 112.1338 -206134.2119 17660.9263 0.0000 0.0000 34273.7800 -149327.9876 299.3214 -183601.7676 -149232.5225 300.0407 -121.7431 -92.6746 556689.1726 9.6690 9.6041 PRESSURE: 1423000 280.949 -52.1243 51.0647 -52.1241 15.846 -82.4664 51.0647 -82.468 -6.52629 GPRESSURE: 1423000 276.475 -28.2788 59.5148 -118.366 72.1744 4.96489 17.3351 -111.163 36.63 PRESSAVG: 1423000 -4.57129 -70.9359 57.6506 -70.9358 -40.6189 -8.04382 57.6506 -8.04381 18.9779 GPRESSAVG: 1423000 -4.39441 -70.6145 56.9025 -68.6436 -40.9112 -8.35451 58.6379 -8.72812 18.77 TIMING: 1423000 CPU: 4244.6, 0.00303843/step Wall: 4244.6, 0.00303843/step, 3.01902 hours remaining, 206.308594 MB of memory in use. ENERGY: 1423000 743.1904 2057.1581 1892.1702 110.5908 -206307.7536 17970.1975 0.0000 0.0000 34211.8451 -149322.6015 298.7806 -183534.4467 -149226.0582 299.1399 96.7561 128.4266 557807.4224 -8.7374 -8.8452 PRESSURE: 1423200 234.992 29.4629 39.508 29.464 82.2271 -24.1988 39.5092 -24.1979 411.884 GPRESSURE: 1423200 285.795 -29.5832 31.1173 -1.92037 80.7422 -7.91244 62.0836 18.7126 463.921 PRESSAVG: 1423200 -89.6406 28.8802 69.1664 28.8801 28.5823 -2.70394 69.1663 -2.70387 108.58 GPRESSAVG: 1423200 -89.8641 30.036 69.4969 27.5833 29.7284 -2.21572 69.4755 -2.93925 107.904 TIMING: 1423200 CPU: 4245.21, 0.00303232/step Wall: 4245.21, 0.00303232/step, 3.01278 hours remaining, 206.308594 MB of memory in use. ENERGY: 1423200 700.6089 2110.3875 1912.1305 110.2014 -206703.8666 18101.8538 0.0000 0.0000 34358.6682 -149410.0163 300.0628 -183768.6845 -149322.3804 299.0941 243.0344 276.8193 555108.3203 15.8406 15.9229 PRESSURE: 1423400 -165.378 90.2365 -26.39 90.2374 -202.838 -38.0538 -26.3909 -38.0534 -484.654 GPRESSURE: 1423400 -148.763 147.459 -29.4207 133.516 -206.038 26.5578 -97.0903 -19.7658 -393.557 PRESSAVG: 1423400 9.74881 7.82229 -33.6992 7.82233 -11.3069 -41.4463 -33.6992 -41.4463 17.149 GPRESSAVG: 1423400 9.13755 6.98605 -32.1337 9.28963 -12.3989 -39.9454 -34.7589 -41.7126 19.8779 TIMING: 1423400 CPU: 4245.81, 0.0030026/step Wall: 4245.81, 0.0030026/step, 2.98308 hours remaining, 206.308594 MB of memory in use. ENERGY: 1423400 756.5389 2094.2666 1915.1812 106.9751 -206182.4349 17471.2712 0.0000 0.0000 34289.4381 -149548.7639 299.4582 -183838.2020 -149446.1038 298.6135 -284.2901 -249.4524 558176.6505 5.1970 5.5388 PRESSURE: 1423600 -51.7982 -86.6038 87.1179 -86.6019 -38.2288 -95.5465 87.117 -95.5477 -15.6292 GPRESSURE: 1423600 -8.29754 -81.8693 112.09 -67.3566 19.0866 -99.179 86.8362 -121.769 -2.10231 PRESSAVG: 1423600 9.21235 -0.0325043 -16.6109 -0.0325057 -15.6593 -77.8397 -16.6108 -77.8398 15.9146 GPRESSAVG: 1423600 10.752 -0.628646 -16.843 -0.515544 -14.9719 -78.003 -18.174 -77.8029 14.661 TIMING: 1423600 CPU: 4246.41, 0.00297977/step Wall: 4246.41, 0.00297977/step, 2.96024 hours remaining, 206.308594 MB of memory in use. ENERGY: 1423600 719.0320 2077.7484 1911.8512 121.8642 -206199.4755 17783.3429 0.0000 0.0000 33999.1390 -149586.4978 296.9229 -183585.6368 -149490.0259 298.2320 -35.2187 2.8956 556554.7307 3.1559 3.4804 PRESSURE: 1423800 6.16916 -144.273 148.224 -144.272 -11.2142 16.383 148.224 16.3808 30.1514 GPRESSURE: 1423800 53.7542 -56.6475 161.549 -203.478 -11.5074 33.8486 95.9262 20.1115 73.4574 PRESSAVG: 1423800 -6.66362 -39.8446 12.9447 -39.8446 19.6348 -85.5321 12.9447 -85.532 12.1785 GPRESSAVG: 1423800 -6.72588 -39.3908 12.7969 -40.591 20.1656 -86.6068 12.7883 -84.3448 11.6184 TIMING: 1423800 CPU: 4247, 0.0029703/step Wall: 4247, 0.0029703/step, 2.95067 hours remaining, 206.308594 MB of memory in use. ENERGY: 1423800 745.5202 2036.5957 1951.9078 114.4015 -206441.5102 17908.0401 0.0000 0.0000 34016.4950 -149668.5500 297.0745 -183685.0450 -149568.4683 298.0198 8.3688 38.5680 556893.7269 8.3832 8.3527 PRESSURE: 1424000 -30.5444 -53.7203 -72.6128 -53.7203 280.299 -79.3544 -72.6114 -79.3544 -26.4346 GPRESSURE: 1424000 13.7344 -71.0537 -73.7457 -50.453 297.361 44.7439 18.618 -187.369 21.8004 PRESSAVG: 1424000 -27.298 -24.624 3.21083 -24.6241 12.1963 -24.0824 3.21082 -24.0823 -12.607 GPRESSAVG: 1424000 -27.749 -25.2919 4.18103 -23.1723 11.5133 -24.4581 3.01561 -23.7555 -11.0973 TIMING: 1424000 CPU: 4247.6, 0.00298805/step Wall: 4247.6, 0.00298805/step, 2.96813 hours remaining, 206.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1424000 736.1724 2017.4363 1927.6164 112.6479 -206553.6514 18035.4528 0.0000 0.0000 34225.2529 -149499.0727 298.8976 -183724.3256 -149402.4275 298.1228 74.4402 110.9653 557010.9408 -9.2362 -9.1110 PRESSURE: 1424200 68.6483 -206.408 -79.7648 -206.407 150.388 69.9735 -79.7669 69.9728 212.202 GPRESSURE: 1424200 66.2651 -183.387 -71.0015 -168.577 268.303 64.4627 -19.6349 106.385 206.761 PRESSAVG: 1424200 -62.4945 -8.27755 34.9613 -8.27762 1.91842 -38.4284 34.9613 -38.4284 85.0923 GPRESSAVG: 1424200 -62.1805 -8.82033 33.8099 -8.31107 2.45052 -37.6603 36.0874 -39.3252 84.4838 TIMING: 1424200 CPU: 4248.2, 0.00299405/step Wall: 4248.2, 0.00299405/step, 2.97392 hours remaining, 206.308594 MB of memory in use. ENERGY: 1424200 687.9434 2121.8470 1909.5760 113.6874 -206621.9353 18056.3395 0.0000 0.0000 34271.9210 -149460.6211 299.3052 -183732.5421 -149366.6540 298.4479 143.7460 180.4430 557675.0579 8.1721 8.2513 LDB: ============= START OF LOAD BALANCING ============== 4251.75 LDB: ============== END OF LOAD BALANCING =============== 4251.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4251.75 LDB: ============= START OF LOAD BALANCING ============== 4252.05 LDB: Largest compute 4773 load 0.024361 is 20.6% of average load 0.118234 LDB: Average compute 0.001723 is 1.5% of average load 0.118234 LDB: TIME 4252.05 LOAD: AVG 0.118234 MAX 0.212276 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.082 MB LDB: TIME 4252.05 LOAD: AVG 0.118234 MAX 0.212276 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.082 MB LDB: TIME 4252.05 LOAD: AVG 0.118234 MAX 0.212276 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.082 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4252.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4252.06 PRESSURE: 1424400 84.2008 -91.5442 7.94603 -91.5441 -342.428 -41.1338 7.94595 -41.134 -26.5584 GPRESSURE: 1424400 118.69 -120.645 -18.7536 -52.279 -312.889 -103.439 -40.9962 -115.937 -4.7007 PRESSAVG: 1424400 60.8328 -68.5745 -66.3024 -68.5746 -45.9098 -61.8171 -66.3024 -61.817 -24.8088 GPRESSAVG: 1424400 60.9386 -68.3608 -68.6645 -68.9209 -46.8357 -64.4147 -63.8463 -61.5151 -24.6065 TIMING: 1424400 CPU: 4248.81, 0.0030684/step Wall: 4248.81, 0.0030684/step, 3.0476 hours remaining, 206.632812 MB of memory in use. ENERGY: 1424400 742.5063 2030.5775 1943.2063 117.6238 -206432.3272 17899.4992 0.0000 0.0000 34169.1535 -149529.7606 298.4077 -183698.9141 -149435.3955 298.3335 -94.9284 -66.2998 557584.2311 -3.2953 -3.5012 PRESSURE: 1424600 -370.903 -12.4033 -151.787 -12.4032 -302.091 -59.9173 -151.787 -59.9182 -268.542 GPRESSURE: 1424600 -296.418 17.9981 -41.5138 52.3474 -341.235 -20.5431 -186.24 -5.11919 -206.819 PRESSAVG: 1424600 52.1814 -42.6148 -25.9213 -42.6148 7.31898 -48.777 -25.9213 -48.7769 -25.7635 GPRESSAVG: 1424600 52.9181 -42.9588 -24.2231 -41.6538 7.01093 -47.1659 -27.7539 -48.9897 -25.6964 TIMING: 1424600 CPU: 4249.41, 0.00298901/step Wall: 4249.41, 0.00298901/step, 2.96858 hours remaining, 206.632812 MB of memory in use. ENERGY: 1424600 767.9285 2085.3780 1935.9990 118.0707 -206165.8872 17598.4363 0.0000 0.0000 34194.7913 -149465.2833 298.6316 -183660.0745 -149372.0410 298.3731 -313.8453 -281.4909 559786.5932 11.2456 11.4109 PRESSURE: 1424800 89.7939 -100.632 28.3095 -100.632 -124.811 30.8544 28.3104 30.8543 47.7184 GPRESSURE: 1424800 80.5711 -41.9246 -38.9191 -60.1043 -32.8666 53.8199 58.2633 32.2986 52.7043 PRESSAVG: 1424800 -13.1605 13.2725 -16.3848 13.2724 -4.82565 -54.3717 -16.3847 -54.3718 3.66926 GPRESSAVG: 1424800 -14.9189 12.1632 -13.9213 12.2501 -4.5377 -53.0367 -18.9567 -53.494 4.98011 TIMING: 1424800 CPU: 4250.01, 0.00300608/step Wall: 4250.01, 0.00300608/step, 2.98537 hours remaining, 206.632812 MB of memory in use. ENERGY: 1424800 762.9554 2106.1503 1939.5769 115.0684 -206438.4438 17920.0309 0.0000 0.0000 34110.2843 -149484.3776 297.8936 -183594.6619 -149385.6356 298.9007 4.2338 33.4696 557732.9733 -4.7723 -4.8255 PRESSURE: 1425000 -150.424 -94.519 -149.408 -94.5188 164.32 -30.6119 -149.407 -30.6123 -170.35 GPRESSURE: 1425000 -118.6 -96.1029 -118.357 -133.438 207.723 2.35648 -196.572 -63.1548 -148.4 PRESSAVG: 1425000 -13.2812 -5.30754 -102.613 -5.30752 61.9007 -14.7793 -102.613 -14.7794 -40.0869 GPRESSAVG: 1425000 -11.456 -3.51524 -104.14 -6.13082 61.6374 -18.3876 -99.675 -14.145 -42.2844 TIMING: 1425000 CPU: 4250.61, 0.00300094/step Wall: 4250.61, 0.00300094/step, 2.9801 hours remaining, 206.632812 MB of memory in use. ENERGY: 1425000 756.9309 2078.1025 1926.1260 106.9214 -206409.2890 17894.8208 0.0000 0.0000 34141.4035 -149504.9840 298.1654 -183646.3874 -149405.4450 299.1249 -52.1512 -19.7586 556684.2263 2.8442 2.6323 PRESSURE: 1425200 256.978 -58.0698 68.5206 -58.0695 111.212 -22.9082 68.5207 -22.9084 11.7118 GPRESSURE: 1425200 291.869 -72.1419 78.8799 -95.0978 136.807 -6.70323 77.2072 -60.9622 46.9414 PRESSAVG: 1425200 -22.0128 -69.3169 -12.0048 -69.3169 7.21417 -24.5032 -12.0048 -24.5032 -5.78196 GPRESSAVG: 1425200 -24.4983 -69.065 -10.5215 -67.6142 7.94785 -20.9231 -12.7529 -25.9366 -4.09093 TIMING: 1425200 CPU: 4251.21, 0.00298704/step Wall: 4251.21, 0.00298704/step, 2.96613 hours remaining, 206.632812 MB of memory in use. ENERGY: 1425200 731.9324 2108.1862 1899.0434 114.5503 -206455.2984 18084.8089 0.0000 0.0000 34273.2713 -149243.5059 299.3170 -183516.7773 -149147.1648 298.9460 126.6337 158.5391 557715.9844 -6.8602 -6.8804 PRESSURE: 1425400 50.016 -15.0447 247.487 -15.0459 11.5887 -125.463 247.487 -125.463 -346.427 GPRESSURE: 1425400 68.2129 -85.4904 213.044 36.3981 8.58007 -164.371 157.582 -83.0499 -264.854 PRESSAVG: 1425400 22.1287 -19.7881 -33.4035 -19.7881 37.4749 -29.6199 -33.4035 -29.6198 -51.4621 GPRESSAVG: 1425400 23.0645 -22.008 -35.8521 -19.877 36.69 -28.6952 -30.8842 -27.7878 -51.5603 TIMING: 1425400 CPU: 4251.81, 0.00300797/step Wall: 4251.81, 0.00300797/step, 2.98675 hours remaining, 206.632812 MB of memory in use. ENERGY: 1425400 724.3214 2067.1536 1952.5166 112.1342 -206196.9919 17620.3341 0.0000 0.0000 34356.5704 -149363.9617 300.0445 -183720.5321 -149264.1635 299.6697 -94.9408 -62.6871 557007.9845 2.7139 2.7314 PRESSURE: 1425600 -98.9772 18.1561 -123.99 18.1556 83.4473 -49.9701 -123.99 -49.9702 -76.4144 GPRESSURE: 1425600 -50.6989 -51.3297 -90.4554 -67.9178 127.735 -56.6151 -89.1159 -5.94586 -71.4373 PRESSAVG: 1425600 14.9298 30.3274 -4.16175 30.3275 -6.47061 -35.2732 -4.16188 -35.2732 18.8509 GPRESSAVG: 1425600 14.4419 31.2542 -1.51685 30.5864 -6.16728 -37.7847 -8.92367 -35.3883 19.4405 TIMING: 1425600 CPU: 4252.41, 0.00299988/step Wall: 4252.41, 0.00299988/step, 2.97855 hours remaining, 206.632812 MB of memory in use. ENERGY: 1425600 727.0365 2138.8927 1926.6624 107.9920 -206420.0979 17574.0223 0.0000 0.0000 34296.5039 -149648.9881 299.5199 -183945.4920 -149549.8562 299.4204 -30.6481 1.8662 555983.2403 9.1034 9.2384 PRESSURE: 1425800 -58.5228 88.6705 -73.8748 88.6693 -115.383 -156.461 -73.8744 -156.461 54.3863 GPRESSURE: 1425800 -15.8602 74.3162 -125.892 150.377 -48.1178 -131.672 -70.5623 -216.96 65.7383 PRESSAVG: 1425800 -60.3042 7.5357 36.0468 7.53562 28.952 -45.3301 36.0468 -45.3301 20.0199 GPRESSAVG: 1425800 -59.231 8.01754 34.1771 5.99602 28.9444 -44.1729 38.2004 -47.2215 19.2443 TIMING: 1425800 CPU: 4253.01, 0.00299993/step Wall: 4253.01, 0.00299993/step, 2.97843 hours remaining, 206.632812 MB of memory in use. ENERGY: 1425800 762.9061 2109.7160 1912.8415 112.8027 -206326.5618 17719.3416 0.0000 0.0000 34128.2298 -149580.7243 298.0503 -183708.9540 -149480.6372 298.5463 -39.8398 0.5868 557246.6914 -3.7774 -3.6808 PRESSURE: 1426000 56.2171 -13.3827 141.763 -13.3832 52.6239 131.224 141.765 131.226 -63.6417 GPRESSURE: 1426000 113.603 -9.04481 206.897 -2.76111 36.6473 133.277 107.641 153.895 2.11455 PRESSAVG: 1426000 -20.5321 -21.9491 -13.0394 -21.9491 -26.0293 -60.0666 -13.0394 -60.0666 87.4347 GPRESSAVG: 1426000 -21.6324 -23.224 -12.318 -21.0339 -25.9854 -59.5416 -12.7333 -60.416 87.6529 TIMING: 1426000 CPU: 4253.6, 0.0029655/step Wall: 4253.6, 0.0029655/step, 2.94408 hours remaining, 206.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1426000 728.3776 2095.9944 1924.5758 107.8148 -206475.4130 17928.8962 0.0000 0.0000 34045.0991 -149644.6551 297.3243 -183689.7542 -149547.1191 298.1753 15.0664 50.7883 556296.7697 13.6244 13.3450 PRESSURE: 1426200 -94.6889 -124.645 -42.4347 -124.646 -478.039 52.2157 -42.4351 52.2147 -80.1765 GPRESSURE: 1426200 -30.1589 -132.795 -29.9178 -129.292 -471.866 26.409 -8.51948 14.6443 -63.2223 PRESSAVG: 1426200 -6.97339 -16.4402 71.007 -16.4402 -50.1783 -34.6656 71.007 -34.6655 64.3585 GPRESSAVG: 1426200 -5.66884 -14.8338 69.9416 -17.0705 -51.4555 -36.2814 72.8087 -34.6546 64.6462 TIMING: 1426200 CPU: 4254.2, 0.00298808/step Wall: 4254.2, 0.00298808/step, 2.96633 hours remaining, 206.632812 MB of memory in use. ENERGY: 1426200 758.7018 2045.9532 1934.0035 105.0191 -206217.6055 17577.3194 0.0000 0.0000 34139.8184 -149656.7901 298.1515 -183796.6085 -149553.7603 298.0116 -217.6349 -188.4156 558350.3768 2.4023 2.5073 PRESSURE: 1426400 47.6584 109.815 -40.1788 109.815 18.6929 -69.4284 -40.177 -69.4276 -62.3916 GPRESSURE: 1426400 52.6538 77.3099 -99.4847 22.1345 33.2929 -150.275 -97.8919 -52.5941 6.54047 PRESSAVG: 1426400 1.74844 -5.96118 49.6711 -5.96118 -83.2227 -3.53159 49.6711 -3.5315 83.3847 GPRESSAVG: 1426400 2.06789 -7.39836 50.1261 -4.43399 -82.1749 -2.70556 47.3778 -1.89759 82.5313 TIMING: 1426400 CPU: 4254.8, 0.00302447/step Wall: 4254.8, 0.00302447/step, 3.00229 hours remaining, 206.632812 MB of memory in use. ENERGY: 1426400 723.6644 2115.3596 1927.2000 129.2925 -206441.0029 17843.9654 0.0000 0.0000 34081.0482 -149620.4728 297.6383 -183701.5209 -149522.3606 297.9073 1.3199 30.8290 556218.6992 0.6368 0.8081 PRESSURE: 1426600 -305.337 -98.2151 -37.5398 -98.2161 -63.0618 -47.2562 -37.5403 -47.2566 -155.775 GPRESSURE: 1426600 -286.848 -84.5696 -18.2945 -201.136 -48.4209 -34.2205 -25.2864 -67.2679 -101.891 PRESSAVG: 1426600 -14.4458 0.489567 58.9557 0.489526 -58.8186 0.264523 58.9557 0.264537 44.8986 GPRESSAVG: 1426600 -15.4134 0.308614 58.5005 -1.50444 -58.3275 -1.49092 61.0811 -0.257367 45.4382 TIMING: 1426600 CPU: 4255.41, 0.00305322/step Wall: 4255.41, 0.00305322/step, 3.03066 hours remaining, 206.632812 MB of memory in use. ENERGY: 1426600 756.4054 2099.7573 1893.1858 102.3825 -206485.8083 17838.1601 0.0000 0.0000 34256.6957 -149539.2214 299.1722 -183795.9171 -149447.3369 298.7008 -174.7249 -145.7200 556944.3882 -9.4553 -9.4342 PRESSURE: 1426800 229.619 -148.483 12.3055 -148.481 211.091 -157.567 12.3054 -157.567 -0.455938 GPRESSURE: 1426800 245.689 -96.8419 14.0919 -81.9194 256.621 -113.796 -4.87547 -216.643 45.7206 PRESSAVG: 1426800 17.5534 -48.8864 60.5308 -48.8865 -15.4825 10.4275 60.5307 10.4274 34.6715 GPRESSAVG: 1426800 18.6158 -48.2948 62.8435 -47.9259 -15.4357 11.3816 57.5623 12.1263 34.1707 TIMING: 1426800 CPU: 4256.02, 0.0030065/step Wall: 4256.02, 0.0030065/step, 2.98412 hours remaining, 206.632812 MB of memory in use. ENERGY: 1426800 766.4717 2158.3355 1901.2176 123.2978 -206572.6304 18045.9660 0.0000 0.0000 34122.4007 -149454.9412 297.9994 -183577.3419 -149353.9110 299.3006 146.7513 182.6766 556347.3343 12.2475 12.4503 PRESSURE: 1427000 248.535 157.357 -196.863 157.357 55.0822 107.795 -196.865 107.796 65.7565 GPRESSURE: 1427000 269.853 209.295 -143.85 90.5769 138.554 73.5538 -217.621 97.9806 60.8833 PRESSAVG: 1427000 -48.8479 -22.2117 -1.33094 -22.2116 10.6829 6.32405 -1.331 6.32404 50.777 GPRESSAVG: 1427000 -49.3003 -20.5634 -2.56498 -23.1495 11.0429 6.06015 0.0423801 4.49207 50.8687 TIMING: 1427000 CPU: 4256.62, 0.00302829/step Wall: 4256.62, 0.00302829/step, 3.00557 hours remaining, 206.632812 MB of memory in use. ENERGY: 1427000 717.0256 2136.9707 1928.4294 110.4147 -206387.3847 17882.5411 0.0000 0.0000 34232.8415 -149379.1616 298.9639 -183612.0031 -149286.1900 299.0481 123.1247 156.4301 555426.1718 4.2040 4.2038 PRESSURE: 1427200 76.3635 37.628 12.1311 37.6284 -74.0736 75.8309 12.1305 75.8306 -211.98 GPRESSURE: 1427200 107.996 -3.5585 -60.568 106.918 -32.0823 75.6986 53.3964 53.657 -185.89 PRESSAVG: 1427200 -60.0098 8.59382 60.1484 8.59386 18.4334 20.247 60.1484 20.2471 29.3397 GPRESSAVG: 1427200 -59.7639 7.74156 60.0195 9.00089 18.2807 20.9372 60.1193 20.7307 30.0151 TIMING: 1427200 CPU: 4257.22, 0.00301605/step Wall: 4257.22, 0.00301605/step, 2.99327 hours remaining, 206.632812 MB of memory in use. ENERGY: 1427200 776.5603 2055.1310 1902.0429 109.6785 -206139.1730 17750.4290 0.0000 0.0000 34257.8706 -149287.4608 299.1825 -183545.3314 -149196.2703 299.1389 -69.8967 -36.6587 557558.1606 -4.0789 -3.8227 PRESSURE: 1427400 -120.188 34.6403 -168.339 34.6398 -21.5338 -10.6115 -168.338 -10.6083 -323.536 GPRESSURE: 1427400 -96.3127 44.812 -138.675 19.9241 -12.7694 -41.4441 -236.795 21.7141 -262.765 PRESSAVG: 1427400 -0.00332767 -42.6052 -23.0395 -42.6052 3.86388 51.0482 -23.0394 51.0483 22.9888 GPRESSAVG: 1427400 0.394761 -44.5051 -22.6193 -42.1345 3.61226 48.8772 -23.4127 51.1254 23.391 TIMING: 1427400 CPU: 4257.82, 0.00300369/step Wall: 4257.82, 0.00300369/step, 2.98083 hours remaining, 206.632812 MB of memory in use. ENERGY: 1427400 752.2449 2088.0280 1925.2139 102.1903 -205965.2311 17612.0598 0.0000 0.0000 34156.9294 -149328.5648 298.3010 -183485.4942 -149235.6889 299.9644 -155.0862 -123.9491 557185.8493 8.9498 9.1327 PRESSURE: 1427600 199.61 -48.4012 -111.462 -48.4025 345.164 94.4874 -111.463 94.4883 187.591 GPRESSURE: 1427600 224.706 -14.0053 -126.364 -59.9173 395.216 91.0195 -111.885 112.882 202.027 PRESSAVG: 1427600 -28.6281 33.8688 -42.5044 33.8689 8.14511 8.36215 -42.5044 8.36205 66.0902 GPRESSAVG: 1427600 -29.7125 37.1977 -43.2202 32.8309 8.44719 11.0466 -43.0642 7.87855 66.5938 TIMING: 1427600 CPU: 4258.43, 0.00300817/step Wall: 4258.43, 0.00300817/step, 2.9851 hours remaining, 206.632812 MB of memory in use. ENERGY: 1427600 753.6297 2089.5463 1930.1440 108.7004 -206338.2400 17984.8437 0.0000 0.0000 34111.9703 -149359.4057 297.9083 -183471.3760 -149271.3743 299.4415 244.1216 273.9829 555916.5385 15.2024 15.1095 PRESSURE: 1427800 291.28 -6.02412 -17.7644 -6.024 131.078 -7.43986 -17.764 -7.44067 205.952 GPRESSURE: 1427800 340.869 39.735 -22.8504 53.6223 128.349 87.6069 68.5451 36.1326 245.041 PRESSAVG: 1427800 -10.7388 5.42101 -14.6527 5.42103 52.4921 9.12636 -14.6526 9.12625 -24.8774 GPRESSAVG: 1427800 -9.69406 5.2975 -14.896 5.01367 52.8105 9.15062 -11.9488 10.1167 -25.6809 TIMING: 1427800 CPU: 4259.02, 0.00298888/step Wall: 4259.02, 0.00298888/step, 2.9658 hours remaining, 206.632812 MB of memory in use. ENERGY: 1427800 719.5395 2103.6290 1938.0344 113.9403 -206980.0424 18385.1172 0.0000 0.0000 34267.7421 -149452.0400 299.2687 -183719.7820 -149360.0255 299.0754 209.4367 238.0863 557308.6958 5.6253 5.8118 PRESSURE: 1428000 -117.322 168.112 -73.6173 168.112 -136.046 41.293 -73.6195 41.2907 102.18 GPRESSURE: 1428000 -61.5231 133.369 -16.8894 164.765 -90.8753 -65.6391 -86.4937 106.637 87.8431 PRESSAVG: 1428000 -22.2227 77.6758 5.4418 77.6759 -8.31608 77.8115 5.44184 77.8116 55.5964 GPRESSAVG: 1428000 -22.2701 75.0418 6.57555 76.7786 -8.31553 77.8265 2.95297 77.4759 56.2697 TIMING: 1428000 CPU: 4259.62, 0.0029767/step Wall: 4259.62, 0.0029767/step, 2.95355 hours remaining, 206.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1428000 730.2943 2099.5194 1952.7938 121.8217 -206116.4869 17712.9793 0.0000 0.0000 34259.3183 -149239.7600 299.1951 -183499.0783 -149143.1995 299.2151 -50.3960 -21.5185 557368.7246 8.3525 8.5613 PRESSURE: 1428200 -79.6633 85.7766 92.6974 85.7768 -406.072 45.1799 92.699 45.183 20.2786 GPRESSURE: 1428200 -20.0696 134.089 98.1939 33.155 -317.682 67.1351 24.0489 30.7197 -23.2068 PRESSAVG: 1428200 51.0053 3.95223 -3.07207 3.95232 -43.3869 24.4067 -3.07207 24.4066 -0.458715 GPRESSAVG: 1428200 50.7496 5.89186 -4.86798 3.26425 -43.7443 23.4975 -3.67816 25.6698 -0.198252 TIMING: 1428200 CPU: 4260.21, 0.0029593/step Wall: 4260.21, 0.0029593/step, 2.93612 hours remaining, 206.632812 MB of memory in use. ENERGY: 1428200 723.4055 2085.8930 1948.8020 116.5997 -206138.8906 17620.1290 0.0000 0.0000 34374.6492 -149269.4122 300.2024 -183644.0614 -149164.9874 299.5744 -155.1522 -120.3194 559288.2071 2.3866 2.2690 LDB: ============= START OF LOAD BALANCING ============== 4263.76 LDB: ============== END OF LOAD BALANCING =============== 4263.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4263.76 LDB: ============= START OF LOAD BALANCING ============== 4264.06 LDB: Largest compute 4773 load 0.025170 is 21.3% of average load 0.118209 LDB: Average compute 0.001727 is 1.5% of average load 0.118209 LDB: TIME 4264.06 LOAD: AVG 0.118209 MAX 0.216768 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.348 MB LDB: TIME 4264.06 LOAD: AVG 0.118209 MAX 0.216768 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: TIME 4264.06 LOAD: AVG 0.118209 MAX 0.216768 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: ============== END OF LOAD BALANCING =============== 4264.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4264.07 PRESSURE: 1428400 -454.752 35.2052 -276.432 35.203 -232.852 78.0388 -276.433 78.0396 89.6033 GPRESSURE: 1428400 -380.871 59.0692 -254.922 -6.03419 -188.641 97.9584 -240.233 87.0781 74.2839 PRESSAVG: 1428400 -43.8536 39.3892 20.0454 39.3892 -43.2746 13.9113 20.0453 13.9113 17.0239 GPRESSAVG: 1428400 -44.3921 37.5448 19.8543 40.3362 -42.3668 14.4337 22.3961 11.5769 17.2419 TIMING: 1428400 CPU: 4260.82, 0.00304702/step Wall: 4260.82, 0.00304702/step, 3.02298 hours remaining, 207.226562 MB of memory in use. ENERGY: 1428400 766.5425 2109.3568 1932.0974 109.1246 -206160.8298 17580.0345 0.0000 0.0000 34338.1505 -149325.5235 299.8836 -183663.6740 -149226.5318 298.7656 -199.3333 -165.0760 558527.2651 -23.3681 -23.1723 PRESSURE: 1428600 -216.112 83.6031 81.1077 83.6033 -8.93547 -2.8197 81.1065 -2.81912 76.8419 GPRESSURE: 1428600 -190.338 154.523 36.1602 40.6014 18.3481 23.8031 135 14.3645 117.496 PRESSAVG: 1428600 -5.6037 6.13895 -23.5182 6.13883 -18.3035 -8.94405 -23.5181 -8.94411 35.6866 GPRESSAVG: 1428600 -4.8102 5.97816 -23.1106 6.4092 -19.493 -8.68004 -25.3572 -8.39012 35.7934 TIMING: 1428600 CPU: 4261.43, 0.00302556/step Wall: 4261.43, 0.00302556/step, 3.00153 hours remaining, 207.226562 MB of memory in use. ENERGY: 1428600 776.6755 2139.3223 1962.5291 115.7177 -206391.7428 17884.7527 0.0000 0.0000 34210.9920 -149301.7535 298.7731 -183512.7455 -149210.9213 299.2951 -49.4018 -18.1645 557757.8718 3.9265 3.8300 PRESSURE: 1428800 15.2356 -6.15117 41.5336 -6.15176 -31.2677 -182.942 41.5346 -182.943 157.456 GPRESSURE: 1428800 44.3029 21.9304 -19.7144 68.7334 35.9831 -173.178 112.026 -124.406 156.825 PRESSAVG: 1428800 -108.835 19.7705 -26.3136 19.7706 62.3485 14.0046 -26.3137 14.0045 33.2365 GPRESSAVG: 1428800 -108.537 21.0379 -23.9657 20.0537 62.4792 14.9271 -27.2133 13.9531 33.2748 TIMING: 1428800 CPU: 4262.03, 0.00301529/step Wall: 4262.03, 0.00301529/step, 2.99117 hours remaining, 207.226562 MB of memory in use. ENERGY: 1428800 758.5310 2063.8715 1950.5956 105.8654 -206204.2137 17856.4466 0.0000 0.0000 34170.9044 -149297.9991 298.4230 -183468.9036 -149198.1269 298.6553 47.1412 79.0369 557479.6879 -4.4168 -4.2610 PRESSURE: 1429000 108.051 -99.2863 56.3098 -99.2873 242.586 186.735 56.309 186.733 403.093 GPRESSURE: 1429000 136.682 -152.865 -11.3548 -83.9756 277.968 142.418 28.3648 215.12 417.844 PRESSAVG: 1429000 -41.899 27.778 18.3595 27.7779 29.268 -30.0099 18.3595 -30.0099 45.3729 GPRESSAVG: 1429000 -42.1097 27.4638 18.9659 26.877 29.0329 -32.8004 17.4605 -27.9757 45.1705 TIMING: 1429000 CPU: 4262.63, 0.00300559/step Wall: 4262.63, 0.00300559/step, 2.98138 hours remaining, 207.226562 MB of memory in use. ENERGY: 1429000 726.5066 1996.5509 1942.7895 118.9311 -206638.7814 18042.3468 0.0000 0.0000 34264.9106 -149546.7459 299.2440 -183811.6565 -149443.5984 298.9676 251.2431 277.4979 556688.5698 10.9140 10.6979 PRESSURE: 1429200 186.076 167.092 114.854 167.091 349.388 -75.0933 114.855 -75.0927 -91.7903 GPRESSURE: 1429200 179.2 134.132 35.4944 161.205 400.71 -100.379 101.601 -130.209 -30.9935 PRESSAVG: 1429200 14.4804 53.2073 -52.0569 53.2073 24.8351 5.85369 -52.0569 5.85368 -4.20837 GPRESSAVG: 1429200 14.3162 51.2223 -54.0316 55.6498 24.9295 7.19679 -51.3296 5.70317 -4.30798 TIMING: 1429200 CPU: 4263.24, 0.00303133/step Wall: 4263.24, 0.00303133/step, 3.00675 hours remaining, 207.226562 MB of memory in use. ENERGY: 1429200 716.4396 2076.5847 1957.0144 119.3892 -206884.9322 18169.9474 0.0000 0.0000 34231.9120 -149613.6450 298.9558 -183845.5569 -149516.0746 298.5534 147.8914 182.9724 557254.0624 11.7024 11.6459 PRESSURE: 1429400 31.7887 -211.626 79.9847 -211.627 -176.932 142.762 79.9843 142.762 68.8743 GPRESSURE: 1429400 125.545 -205.699 39.804 -162.69 -158.376 193.793 71.6418 93.6594 42.8941 PRESSAVG: 1429400 52.0636 37.228 -14.2616 37.2278 24.6262 -38.9688 -14.2616 -38.9688 -47.1725 GPRESSAVG: 1429400 52.267 38.9463 -15.9469 35.7287 25.0909 -40.8986 -13.3238 -37.7211 -48.3924 TIMING: 1429400 CPU: 4263.84, 0.00301707/step Wall: 4263.84, 0.00301707/step, 2.99243 hours remaining, 207.226562 MB of memory in use. ENERGY: 1429400 759.0872 1999.9853 1944.5937 115.7526 -206349.0473 17858.8830 0.0000 0.0000 34082.8575 -149587.8880 297.6541 -183670.7455 -149490.4877 298.4303 -25.4229 3.3543 558850.2689 9.8391 9.6552 PRESSURE: 1429600 -137.569 6.11911 127.804 6.11874 -164.2 -77.1496 127.803 -77.1509 -34.6091 GPRESSURE: 1429600 -105.352 23.9748 94.5526 0.746734 -84.5127 -76.5945 148.161 -71.7626 -53.5041 PRESSAVG: 1429600 9.13192 -3.96289 1.11817 -3.96274 18.3371 29.3255 1.11819 29.3254 -0.541615 GPRESSAVG: 1429600 8.68209 -5.71757 2.85689 -3.4948 17.6105 31.8424 2.99977 25.1988 0.680535 TIMING: 1429600 CPU: 4264.45, 0.00304059/step Wall: 4264.45, 0.00304059/step, 3.01559 hours remaining, 207.226562 MB of memory in use. ENERGY: 1429600 763.9314 2045.8280 1939.4765 115.9458 -206287.5646 17714.8115 0.0000 0.0000 34219.4725 -149488.0990 298.8472 -183707.5715 -149388.3017 298.5981 -112.1262 -81.1228 558283.3740 8.9758 8.9910 PRESSURE: 1429800 -197.989 -37.259 14.9909 -37.2594 105.506 -43.1493 14.9913 -43.1487 71.3028 GPRESSURE: 1429800 -160.783 -127.604 69.3326 -29.3415 145.311 -59.7949 60.9994 34.0366 96.7306 PRESSAVG: 1429800 -29.4081 12.0077 46.4937 12.0077 15.5703 28.5572 46.4937 28.5572 7.2685 GPRESSAVG: 1429800 -28.8538 13.4871 47.5573 9.40809 15.6685 27.8155 44.8539 31.7306 6.8228 TIMING: 1429800 CPU: 4265.05, 0.00302284/step Wall: 4265.05, 0.00302284/step, 2.99782 hours remaining, 207.226562 MB of memory in use. ENERGY: 1429800 778.5579 2054.9186 1924.7505 119.5228 -206332.8406 17946.2152 0.0000 0.0000 34156.8970 -149351.9785 298.3007 -183508.8755 -149255.6186 298.3502 -7.0601 27.0863 559101.7377 -2.1897 -2.1208 PRESSURE: 1430000 207.932 136.015 10.7176 136.014 87.2933 -28.5959 10.7196 -28.5945 159.365 GPRESSURE: 1430000 226.544 129.14 -39.0629 96.4876 160.007 -79.5529 35.9603 32.5215 176.626 PRESSAVG: 1430000 -31.0901 -7.45038 0.635026 -7.45048 51.6748 15.4384 0.634978 15.4386 50.2714 GPRESSAVG: 1430000 -31.1432 -8.66906 0.861217 -7.21687 52.4087 15.7791 0.283085 12.8563 49.4805 TIMING: 1430000 CPU: 4265.66, 0.00301558/step Wall: 4265.66, 0.00301558/step, 2.99045 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1430000 730.2577 2104.5205 1945.0260 113.9237 -206681.8737 18190.2380 0.0000 0.0000 34224.5666 -149373.3412 298.8917 -183597.9079 -149283.7711 299.1607 151.5300 187.7254 557198.6242 23.6187 23.5820 PRESSURE: 1430200 -245.752 14.8005 34.2403 14.7997 -8.70166 -55.8803 34.2402 -55.8771 11.4822 GPRESSURE: 1430200 -160.297 -49.127 12.9747 116.335 8.46659 -47.2826 -11.4526 -41.9913 6.50208 PRESSAVG: 1430200 21.5209 16.7546 44.6356 16.7545 -25.302 -37.8429 44.6355 -37.8429 -13.9644 GPRESSAVG: 1430200 20.9355 18.8566 43.6637 18.497 -26.1565 -38.6514 46.4434 -35.9418 -12.6073 TIMING: 1430200 CPU: 4266.26, 0.0030037/step Wall: 4266.26, 0.0030037/step, 2.9785 hours remaining, 207.226562 MB of memory in use. ENERGY: 1430200 723.7851 2085.1505 1923.4434 105.9823 -206071.9047 17630.5468 0.0000 0.0000 34250.0521 -149352.9445 299.1142 -183602.9966 -149251.5794 298.5773 -80.9904 -48.4427 559303.1884 -5.9152 -5.9428 PRESSURE: 1430400 -5.60364 34.7099 -48.3185 34.7112 -80.0894 -38.4065 -48.3191 -38.4039 -346.976 GPRESSURE: 1430400 -18.8141 69.1034 -50.5606 1.37674 -91.7906 -14.8179 1.77811 -32.1693 -240.352 PRESSAVG: 1430400 28.1661 23.8468 16.5459 23.8468 -45.0485 -50.7405 16.546 -50.7404 13.8582 GPRESSAVG: 1430400 28.3439 22.4983 17.0839 25.3808 -45.0199 -51.1848 15.6807 -50.8715 13.6647 TIMING: 1430400 CPU: 4266.86, 0.00299262/step Wall: 4266.86, 0.00299262/step, 2.96735 hours remaining, 207.226562 MB of memory in use. ENERGY: 1430400 779.6611 2103.0097 1922.3119 107.3196 -206337.6619 17751.9041 0.0000 0.0000 34368.7542 -149304.7013 300.1509 -183673.4555 -149215.9187 298.7632 -144.2231 -116.9854 558156.1879 -1.0081 -1.0038 PRESSURE: 1430600 -219.769 -70.6234 79.9288 -70.6244 30.6643 -1.5651 79.928 -1.56421 -22.0225 GPRESSURE: 1430600 -183.829 34.6437 137.986 -193.815 64.6707 -15.6658 90.6131 1.52709 7.94322 PRESSAVG: 1430600 2.03194 39.7063 73.7697 39.7064 38.4014 17.9497 73.7697 17.9498 53.1446 GPRESSAVG: 1430600 2.73279 40.8897 72.1672 37.5877 37.7946 19.5548 74.1658 15.5976 52.9942 TIMING: 1430600 CPU: 4267.46, 0.00300743/step Wall: 4267.46, 0.00300743/step, 2.98187 hours remaining, 207.226562 MB of memory in use. ENERGY: 1430600 764.0181 2094.6344 1906.5136 109.0083 -206391.9667 17829.6416 0.0000 0.0000 34251.6506 -149436.5000 299.1282 -183688.1506 -149340.0543 299.6135 -70.3756 -37.0717 556961.0505 31.1927 31.1738 PRESSURE: 1430800 266.811 42.6064 -39.0021 42.607 -50.3892 -89.6708 -39.0024 -89.6701 318.162 GPRESSURE: 1430800 253.522 11.83 -73.2191 74.3799 53.1891 -103.442 67.6079 -84.4119 333.103 PRESSAVG: 1430800 -47.8551 1.40041 56.8056 1.40036 -2.54897 -67.0643 56.8055 -67.0643 26.3863 GPRESSAVG: 1430800 -48.732 -1.62481 59.0952 1.93315 -2.36566 -67.0143 55.1935 -66.1752 26.5901 TIMING: 1430800 CPU: 4268.06, 0.00301541/step Wall: 4268.06, 0.00301541/step, 2.98961 hours remaining, 207.226562 MB of memory in use. ENERGY: 1430800 759.9252 2090.8218 1905.9780 117.6573 -206551.9870 17955.0071 0.0000 0.0000 34260.1218 -149462.4757 299.2022 -183722.5975 -149363.4671 299.2537 178.1945 213.2712 556015.8281 -8.0059 -8.1692 PRESSURE: 1431000 64.5701 -52.0523 34.5262 -52.0511 -39.1715 244.221 34.5254 244.219 -10.8151 GPRESSURE: 1431000 85.0647 -60.4085 44.7288 -165.972 -8.17012 204.081 89.1769 287.618 32.9226 PRESSAVG: 1431000 -4.67175 7.38074 19.4739 7.3807 -16.2683 22.9123 19.474 22.9123 20.9911 GPRESSAVG: 1431000 -2.70024 7.95914 18.5298 7.50192 -16.2179 23.1888 19.7384 23.008 19.1574 TIMING: 1431000 CPU: 4268.67, 0.00302871/step Wall: 4268.67, 0.00302871/step, 3.00263 hours remaining, 207.226562 MB of memory in use. ENERGY: 1431000 761.2856 2090.9060 1927.6188 127.4628 -206198.6202 17757.5434 0.0000 0.0000 34292.1024 -149241.7012 299.4815 -183533.8037 -149147.5098 298.8848 4.8612 36.6057 556917.2766 0.0170 0.0797 PRESSURE: 1431200 187.752 -49.7755 -49.6389 -49.7747 205.962 -138.41 -49.6379 -138.41 160.142 GPRESSURE: 1431200 259.76 8.57858 -4.33117 -68.2508 217.694 -85.5948 -17.5855 -140.538 187.409 PRESSAVG: 1431200 -27.5534 3.76859 28.7371 3.7686 6.35874 33.0026 28.7371 33.0026 -9.05228 GPRESSAVG: 1431200 -29.1231 4.21226 28.309 4.23368 7.07875 33.8945 27.9275 32.4074 -8.19854 TIMING: 1431200 CPU: 4269.27, 0.00301118/step Wall: 4269.27, 0.00301118/step, 2.98509 hours remaining, 207.226562 MB of memory in use. ENERGY: 1431200 734.1140 2161.0581 1934.2340 120.4449 -206395.1400 18022.4216 0.0000 0.0000 34279.1475 -149143.7199 299.3683 -183422.8675 -149036.8850 300.2206 184.6185 221.6208 556925.4281 -10.0823 -10.0810 PRESSURE: 1431400 113.055 0.55991 67.3281 0.559523 116.001 -12.5605 67.3265 -12.5609 -40.665 GPRESSURE: 1431400 203.399 15.3057 92.9848 -52.6326 160.582 -48.1337 61.3709 48.7027 -67.6107 PRESSAVG: 1431400 41.123 45.9018 38.3519 45.9019 12.2966 -49.5285 38.3519 -49.5285 -51.8337 GPRESSAVG: 1431400 42.5817 44.9292 38.5547 46.4334 11.5196 -51.3441 39.2087 -47.3573 -52.4293 TIMING: 1431400 CPU: 4269.87, 0.00300046/step Wall: 4269.87, 0.00300046/step, 2.97429 hours remaining, 207.226562 MB of memory in use. ENERGY: 1431400 734.8326 2157.1219 1935.3810 113.4995 -206451.6517 18007.7779 0.0000 0.0000 34311.1833 -149191.8555 299.6481 -183503.0388 -149090.4458 299.7085 62.7969 98.7902 557551.6313 0.5286 0.5574 PRESSURE: 1431600 -168.312 -133.268 17.6084 -133.266 73.1237 -134.951 17.6084 -134.952 -16.3168 GPRESSURE: 1431600 -100.484 -254.971 -20.0209 -73.5197 76.4983 -107.633 -1.42848 -79.1341 12.2298 PRESSAVG: 1431600 16.6303 14.382 51.4714 14.3821 -20.4875 32.5514 51.4714 32.5514 18.4116 GPRESSAVG: 1431600 15.9334 15.8908 52.1936 12.8712 -20.2305 31.481 50.3924 32.9342 18.9975 TIMING: 1431600 CPU: 4270.47, 0.00299215/step Wall: 4270.47, 0.00299215/step, 2.96588 hours remaining, 207.226562 MB of memory in use. ENERGY: 1431600 738.3279 2114.6550 1954.0176 103.5477 -206365.5374 17615.0593 0.0000 0.0000 34366.2530 -149473.6768 300.1290 -183839.9298 -149378.1292 299.6624 -37.1682 -3.9187 556380.1289 4.8515 4.9001 PRESSURE: 1431800 106.668 -33.9798 193.614 -33.9799 238.267 -15.4065 193.613 -15.406 126.483 GPRESSURE: 1431800 77.2889 -13.9263 190.443 -26.2693 276.893 -38.5791 225.919 66.6146 217.789 PRESSAVG: 1431800 -76.6263 55.5618 59.8959 55.5618 39.4259 5.52699 59.896 5.52698 49.05 GPRESSAVG: 1431800 -77.6511 53.4135 58.8205 56.9442 38.8191 5.93012 60.2987 2.63753 50.4606 TIMING: 1431800 CPU: 4271.06, 0.00298705/step Wall: 4271.06, 0.00298705/step, 2.96067 hours remaining, 207.226562 MB of memory in use. ENERGY: 1431800 709.2284 2145.1657 1931.4440 119.1570 -206372.1552 17970.3757 0.0000 0.0000 34064.5456 -149432.2390 297.4941 -183496.7845 -149337.7949 299.1720 157.1395 190.6571 557602.9645 3.9499 3.8762 PRESSURE: 1432000 161.204 91.2008 -173.726 91.2001 -99.8378 159.477 -173.726 159.479 -279.733 GPRESSURE: 1432000 179.059 -2.31697 -191.801 48.2761 -88.6924 109.34 -177.975 92.8125 -210.973 PRESSAVG: 1432000 27.2227 -16.7496 18.5686 -16.7497 -5.18235 35.0925 18.5686 35.0925 5.2479 GPRESSAVG: 1432000 27.0961 -13.3748 18.6388 -16.5902 -4.4598 35.2761 17.8149 36.308 4.57935 TIMING: 1432000 CPU: 4271.66, 0.00299266/step Wall: 4271.66, 0.00299266/step, 2.96606 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1432000 717.2251 2088.9045 1930.9320 108.8738 -206157.6520 17588.1969 0.0000 0.0000 34366.2328 -149357.2869 300.1289 -183723.5197 -149258.5507 298.9864 -72.7888 -40.2020 556302.3988 9.0961 9.0719 PRESSURE: 1432200 -224.398 -109.681 72.2768 -109.68 -254.593 -80.2615 72.2765 -80.2618 -354.823 GPRESSURE: 1432200 -218.57 -100.444 -17.8428 -94.2193 -247.312 -41.7552 101.117 -59.8973 -267.63 PRESSAVG: 1432200 -0.675401 -82.2329 15.0433 -82.233 -5.60723 -16.5513 15.0433 -16.5513 -21.289 GPRESSAVG: 1432200 -1.24084 -82.8912 12.9377 -81.1124 -6.49115 -16.1527 16.4237 -15.9841 -20.0832 TIMING: 1432200 CPU: 4272.26, 0.00299222/step Wall: 4272.26, 0.00299222/step, 2.96546 hours remaining, 207.226562 MB of memory in use. ENERGY: 1432200 786.9471 2100.1477 1936.8451 110.5824 -205980.0221 17456.7987 0.0000 0.0000 34216.9975 -149371.7035 298.8255 -183588.7011 -149277.1770 298.8892 -277.9382 -244.5040 558511.3150 -9.1905 -9.2717 LDB: ============= START OF LOAD BALANCING ============== 4275.81 LDB: ============== END OF LOAD BALANCING =============== 4275.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4275.81 LDB: ============= START OF LOAD BALANCING ============== 4276.11 LDB: Largest compute 4773 load 0.024907 is 21.1% of average load 0.118112 LDB: Average compute 0.001719 is 1.5% of average load 0.118112 LDB: TIME 4276.11 LOAD: AVG 0.118112 MAX 0.215735 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.254 MB LDB: TIME 4276.11 LOAD: AVG 0.118112 MAX 0.215735 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.254 MB LDB: TIME 4276.11 LOAD: AVG 0.118112 MAX 0.215735 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.254 MB LDB: ============== END OF LOAD BALANCING =============== 4276.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4276.12 PRESSURE: 1432400 -83.9478 51.6643 2.29704 51.6647 -14.4416 -33.6109 2.29763 -33.6103 -56.544 GPRESSURE: 1432400 -27.4541 55.1958 -58.7546 37.3164 26.8009 -116.103 6.45483 -36.6345 -59.6486 PRESSAVG: 1432400 -17.0931 22.1596 -25.6364 22.1597 -2.14431 -63.7246 -25.6365 -63.7246 11.3092 GPRESSAVG: 1432400 -15.7673 21.1863 -24.122 21.8403 -1.63058 -63.2677 -25.9027 -63.0193 9.75775 TIMING: 1432400 CPU: 4272.87, 0.00304274/step Wall: 4272.87, 0.00304274/step, 3.01536 hours remaining, 207.027344 MB of memory in use. ENERGY: 1432400 771.5387 2119.9167 1927.3098 107.9938 -206165.8003 17655.3170 0.0000 0.0000 34147.3889 -149436.3354 298.2176 -183583.7244 -149342.7976 299.0188 -51.6445 -20.1006 556550.6531 -2.6427 -2.5467 PRESSURE: 1432600 -128.88 77.9447 -82.4446 77.9463 106.01 96.334 -82.4448 96.3354 -62.8524 GPRESSURE: 1432600 -35.2868 16.638 -122.098 136.966 122.385 146.229 -201.947 11.3686 -71.5126 PRESSAVG: 1432600 -41.6302 37.2542 -11.6152 37.2541 73.7677 4.08168 -11.6152 4.08178 -87.1133 GPRESSAVG: 1432600 -42.4169 36.5871 -10.8021 36.3678 74.4715 5.09822 -12.2999 3.04774 -87.222 TIMING: 1432600 CPU: 4273.46, 0.00296938/step Wall: 4273.46, 0.00296938/step, 2.94249 hours remaining, 207.226562 MB of memory in use. ENERGY: 1432600 725.9886 2079.9731 1915.6501 103.7755 -206428.2973 17792.9806 0.0000 0.0000 34263.1549 -149546.7745 299.2287 -183809.9293 -149450.8037 298.1489 -28.5739 5.1950 556871.5213 -18.3252 -18.3891 PRESSURE: 1432800 -295.47 -21.8352 77.9786 -21.8343 -67.2507 136.201 77.9787 136.202 -152.116 GPRESSURE: 1432800 -218.534 -14.9042 59.5664 42.3594 -57.9428 180.512 85.1603 142.393 -137.912 PRESSAVG: 1432800 -14.5839 50.8269 -5.79585 50.8268 5.55138 -42.1864 -5.79581 -42.1864 39.2937 GPRESSAVG: 1432800 -13.8984 50.3608 -6.8525 52.4293 4.14279 -42.7853 -4.21301 -42.6071 39.3305 TIMING: 1432800 CPU: 4274.06, 0.00298652/step Wall: 4274.06, 0.00298652/step, 2.95931 hours remaining, 207.429688 MB of memory in use. ENERGY: 1432800 758.7830 2053.5513 1918.5112 107.5148 -206379.0570 17771.5585 0.0000 0.0000 34320.0751 -149449.0630 299.7258 -183769.1382 -149352.5181 298.7264 -171.6123 -138.1298 558777.0863 10.0871 9.8583 PRESSURE: 1433000 302.168 -47.3013 59.2411 -47.3011 -99.3793 13.9559 59.2415 13.9548 202.428 GPRESSURE: 1433000 279.768 -126.798 105.359 34.0218 1.77046 1.62332 -4.35158 -113.541 215.806 PRESSAVG: 1433000 12.8959 13.8164 -14.7738 13.8164 -21.4284 -53.9536 -14.7739 -53.9536 47.9563 GPRESSAVG: 1433000 12.8286 14.654 -13.5802 11.4928 -21.1716 -53.0172 -14.8289 -54.3183 48.0616 TIMING: 1433000 CPU: 4274.65, 0.00296089/step Wall: 4274.65, 0.00296089/step, 2.93375 hours remaining, 207.429688 MB of memory in use. ENERGY: 1433000 762.8298 2129.8371 1969.2069 128.8648 -206769.3761 18120.4988 0.0000 0.0000 34117.3572 -149540.7814 297.9554 -183658.1386 -149442.8240 298.7993 135.0721 165.7817 556507.1601 13.1413 13.2395 PRESSURE: 1433200 -330.108 -53.4516 3.21351 -53.4506 -90.876 -176.312 3.21409 -176.313 -131.535 GPRESSURE: 1433200 -245.074 -137.696 36.0709 -1.49164 -42.6371 -187.62 40.9793 -245.06 -169.974 PRESSAVG: 1433200 8.39973 -53.3561 35.1866 -53.3561 29.4794 -40.6587 35.1866 -40.6587 -34.5204 GPRESSAVG: 1433200 9.54102 -52.5954 31.6573 -54.4101 29.6005 -41.2064 36.2217 -41.3668 -35.4529 TIMING: 1433200 CPU: 4275.24, 0.00295665/step Wall: 4275.24, 0.00295665/step, 2.92938 hours remaining, 207.429688 MB of memory in use. ENERGY: 1433200 775.3042 2147.4613 1948.7278 104.7051 -206382.9322 17698.3691 0.0000 0.0000 34205.3087 -149503.0560 298.7235 -183708.3647 -149412.5597 298.1003 -184.1728 -152.5619 556995.7493 1.1196 1.2296 PRESSURE: 1433400 -72.2108 30.8865 -92.4113 30.8865 80.3159 -112.713 -92.4113 -112.713 252.771 GPRESSURE: 1433400 -52.6875 67.5187 -94.3072 46.4156 169.74 -106.538 -132.155 -54.0339 237.765 PRESSAVG: 1433400 20.8549 -27.314 -15.694 -27.314 19.5456 -57.5383 -15.694 -57.5382 7.46683 GPRESSAVG: 1433400 18.4428 -25.9233 -14.7692 -26.0648 20.5424 -55.9931 -17.856 -56.7569 8.69673 TIMING: 1433400 CPU: 4275.84, 0.00298537/step Wall: 4275.84, 0.00298537/step, 2.95767 hours remaining, 207.429688 MB of memory in use. ENERGY: 1433400 766.9376 2078.8078 1957.9871 124.0774 -206709.7794 18093.4318 0.0000 0.0000 34264.7099 -149423.8278 299.2422 -183688.5377 -149324.4370 298.7198 86.9587 118.2723 556063.8467 15.9558 15.8940 PRESSURE: 1433600 -64.8793 20.4945 -90.9886 20.4956 163.028 -70.4604 -90.988 -70.4594 -186.866 GPRESSURE: 1433600 -25.038 21.1553 -15.2206 -19.3556 211.887 -89.1682 -45.3385 -155.24 -175.291 PRESSAVG: 1433600 40.8917 -23.9248 -25.0757 -23.9248 -23.5539 7.42743 -25.0757 7.42745 -11.3678 GPRESSAVG: 1433600 40.7549 -25.1478 -25.3288 -25.4126 -23.0951 6.98726 -25.0293 6.00627 -11.8589 TIMING: 1433600 CPU: 4276.44, 0.00297375/step Wall: 4276.44, 0.00297375/step, 2.946 hours remaining, 207.429688 MB of memory in use. ENERGY: 1433600 762.7910 2060.9047 1961.2804 110.7596 -206595.2420 17850.2017 0.0000 0.0000 34250.2917 -149599.0129 299.1163 -183849.3046 -149507.8233 298.2360 -29.5727 3.8525 556761.3092 1.9900 1.9336 PRESSURE: 1433800 -302.576 21.5788 -6.63228 21.5778 73.0684 -67.8248 -6.63155 -67.8251 142.444 GPRESSURE: 1433800 -207.654 50.4957 -52.3536 -78.6822 23.894 -119.867 -43.6308 -65.0914 202.325 PRESSAVG: 1433800 3.9691 3.50272 9.97009 3.50272 -16.3079 -53.7493 9.97011 -53.7492 41.9814 GPRESSAVG: 1433800 4.2663 3.5734 11.5945 6.17517 -16.7381 -54.5249 9.75486 -52.6946 42.7282 TIMING: 1433800 CPU: 4277.04, 0.00300126/step Wall: 4277.04, 0.00300126/step, 2.97308 hours remaining, 207.429688 MB of memory in use. ENERGY: 1433800 756.0135 2018.8712 1938.4897 123.0252 -206422.5374 17881.4402 0.0000 0.0000 34108.4704 -149596.2272 297.8778 -183704.6976 -149497.8274 298.3394 -29.0213 6.1883 558090.6809 9.8809 10.0855 PRESSURE: 1434000 192.517 27.1054 111.841 27.1056 218.206 -72.3197 111.842 -72.3203 163.48 GPRESSURE: 1434000 266.239 -18.7041 117.494 113.13 263.715 -8.39545 70.3912 -47.276 141.855 PRESSAVG: 1434000 48.6348 13.9697 34.8989 13.9696 -64.6333 -38.4607 34.8989 -38.4607 25.4739 GPRESSAVG: 1434000 49.4392 14.0131 33.1321 13.3824 -63.9813 -35.7293 34.2229 -38.2424 24.205 TIMING: 1434000 CPU: 4277.63, 0.00298987/step Wall: 4277.63, 0.00298987/step, 2.96163 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1434000 737.7987 2042.3813 1941.5355 118.5506 -206488.5288 17953.1425 0.0000 0.0000 34218.2522 -149476.8680 298.8365 -183695.1201 -149385.3211 298.1986 191.4008 223.9365 556594.9671 3.1585 3.2209 PRESSURE: 1434200 -133.826 36.4899 -0.919336 36.4904 -546.473 -96.8084 -0.920186 -96.8086 -232.549 GPRESSURE: 1434200 -99.1708 -7.79388 -31.4053 93.5443 -469.382 -42.8758 -15.3977 -94.4656 -238.134 PRESSAVG: 1434200 -12.5829 -1.1266 12.0378 -1.12672 32.0277 -29.1735 12.0377 -29.1735 -51.4589 GPRESSAVG: 1434200 -11.7563 0.0573556 13.3719 -0.0125463 31.1926 -31.1045 12.1226 -29.236 -50.8647 TIMING: 1434200 CPU: 4278.24, 0.00302477/step Wall: 4278.24, 0.00302477/step, 2.99603 hours remaining, 207.429688 MB of memory in use. ENERGY: 1434200 744.6067 1980.9900 1954.7034 107.5788 -205883.3513 17408.6589 0.0000 0.0000 34185.0430 -149501.7705 298.5465 -183686.8135 -149406.9395 297.9812 -304.2829 -268.8958 558935.6770 -10.6714 -10.4761 PRESSURE: 1434400 147.171 -69.9459 0.21978 -69.9463 -48.0076 -39.7791 0.219278 -39.78 -34.7562 GPRESSURE: 1434400 130.417 -18.7392 -27.873 -134.534 -4.03322 11.4836 40.9186 -140.064 32.3514 PRESSAVG: 1434400 -5.28686 -36.9972 43.5667 -36.9972 9.0999 -9.26775 43.5667 -9.26774 -16.9737 GPRESSAVG: 1434400 -6.50562 -37.5739 44.5897 -39.1184 9.69795 -11.1551 44.8862 -8.27241 -16.1162 TIMING: 1434400 CPU: 4278.84, 0.00301535/step Wall: 4278.84, 0.00301535/step, 2.98654 hours remaining, 207.429688 MB of memory in use. ENERGY: 1434400 763.9768 2051.0915 1925.5082 119.2387 -206710.9809 18104.0304 0.0000 0.0000 34023.6557 -149723.4794 297.1370 -183747.1352 -149635.0064 297.0206 21.4691 52.9116 559362.9996 -4.3869 -4.3079 PRESSURE: 1434600 177.43 -84.0531 143.011 -84.0551 96.3721 -79.276 143.011 -79.2741 174.602 GPRESSURE: 1434600 202.512 -96.2922 171.626 -48.7915 151.875 9.57257 119.303 -129.893 189.184 PRESSAVG: 1434600 58.643 18.2458 12.0353 18.2458 16.5279 -45.3525 12.0353 -45.3525 -31.6878 GPRESSAVG: 1434600 59.3011 17.531 9.30757 17.3842 15.2301 -45.3458 12.2918 -46.4551 -30.8485 TIMING: 1434600 CPU: 4279.44, 0.00298765/step Wall: 4279.44, 0.00298765/step, 2.95894 hours remaining, 207.429688 MB of memory in use. ENERGY: 1434600 758.7436 2066.2032 1915.0435 113.2387 -206760.8817 18031.1527 0.0000 0.0000 34312.5988 -149563.9012 299.6605 -183876.5000 -149472.1587 298.3005 149.4680 181.1903 557018.5775 14.4944 14.5609 PRESSURE: 1434800 -281.756 -24.3575 48.9681 -24.3572 -329.119 37.3286 48.9673 37.3271 56.3071 GPRESSURE: 1434800 -289.589 17.813 71.0755 -69.207 -296.275 4.01787 105.243 52.9807 131.45 PRESSAVG: 1434800 -2.37838 29.8568 8.51408 29.8567 -8.42466 -6.3065 8.51406 -6.30654 7.18737 GPRESSAVG: 1434800 -2.12257 28.9017 11.6446 30.9547 -8.79403 -3.90213 6.37466 -7.58954 6.46931 TIMING: 1434800 CPU: 4280.04, 0.00301171/step Wall: 4280.04, 0.00301171/step, 2.98259 hours remaining, 207.429688 MB of memory in use. ENERGY: 1434800 764.5660 2103.9528 1950.2676 106.7086 -206076.9502 17681.5246 0.0000 0.0000 34115.4703 -149354.4603 297.9389 -183469.9306 -149258.1376 298.8469 -184.8558 -151.4712 559921.7751 -1.2052 -1.4824 PRESSURE: 1435000 -202.517 -15.7546 85.8215 -15.7546 -67.2754 53.2041 85.8219 53.2039 -131.083 GPRESSURE: 1435000 -154.105 -13.7176 -14.3139 -41.3365 -64.4783 66.0244 153.765 -69.4696 -86.4921 PRESSAVG: 1435000 -16.4846 40.941 32.9674 40.9408 -42.4327 -5.47711 32.9674 -5.47705 63.5266 GPRESSAVG: 1435000 -16.0584 40.8865 32.6712 41.4775 -41.6953 -7.50042 34.5939 -5.4274 63.1087 TIMING: 1435000 CPU: 4280.64, 0.00300272/step Wall: 4280.64, 0.00300272/step, 2.97353 hours remaining, 207.429688 MB of memory in use. ENERGY: 1435000 749.9460 2054.5454 1974.6865 120.3238 -206244.1433 17799.1285 0.0000 0.0000 34139.2074 -149406.3057 298.1462 -183545.5131 -149310.5601 299.2051 -133.6251 -101.6916 559169.1416 1.5364 1.7850 PRESSURE: 1435200 -185.522 39.9683 -12.587 39.9684 -388.729 -104.561 -12.5872 -104.562 -245.128 GPRESSURE: 1435200 -203.33 27.5733 129.596 -2.02715 -363.174 -133.544 -134.05 -33.1606 -164.408 PRESSAVG: 1435200 -41.008 -9.39521 4.9275 -9.39523 -6.23139 4.74558 4.92748 4.74558 -1.82663 GPRESSAVG: 1435200 -41.5092 -7.52629 4.90195 -11.5662 -5.93619 4.7444 3.71147 5.0138 -1.56132 TIMING: 1435200 CPU: 4281.25, 0.00301644/step Wall: 4281.25, 0.00301644/step, 2.98694 hours remaining, 207.429688 MB of memory in use. ENERGY: 1435200 776.2018 2019.8103 1937.6275 102.0367 -206024.5266 17693.3353 0.0000 0.0000 34266.3417 -149229.1733 299.2565 -183495.5151 -149135.6238 298.9893 -273.1263 -243.6375 559966.9463 -16.3554 -16.3356 PRESSURE: 1435400 114.106 0.0246046 -74.9687 0.0242306 46.8303 -38.2824 -74.9681 -38.2827 59.7834 GPRESSURE: 1435400 171.964 10.2012 -82.9367 77.42 65.7188 -48.4814 -81.8491 -27.1539 80.7421 PRESSAVG: 1435400 23.2848 17.9944 -12.1505 17.9944 -28.4449 -19.1316 -12.1505 -19.1314 2.5406 GPRESSAVG: 1435400 23.7452 18.4276 -13.8692 19.821 -28.4013 -18.3476 -10.0974 -19.7046 1.49012 TIMING: 1435400 CPU: 4281.85, 0.00301501/step Wall: 4281.85, 0.00301501/step, 2.98536 hours remaining, 207.429688 MB of memory in use. ENERGY: 1435400 744.6956 2034.9691 1944.6702 113.2615 -206074.2674 18001.5307 0.0000 0.0000 33942.0797 -149293.0606 296.4246 -183235.1403 -149195.3645 298.4306 73.5733 106.1417 559181.0660 -0.8732 -1.0553 PRESSURE: 1435600 -78.3064 -262.545 153.511 -262.546 -40.1116 -145.635 153.51 -145.635 217.867 GPRESSURE: 1435600 -26.4484 -191.145 204.11 -195.383 2.1273 -134.896 68.6238 -179.013 213.825 PRESSAVG: 1435600 34.5448 -25.0848 34.8092 -25.0847 -31.8541 -28.9768 34.8093 -28.9769 -28.9031 GPRESSAVG: 1435600 33.9118 -27.2803 36.4557 -24.1789 -31.5087 -30.5397 30.7194 -28.6735 -28.5288 TIMING: 1435600 CPU: 4282.45, 0.00301431/step Wall: 4282.45, 0.00301431/step, 2.9845 hours remaining, 207.429688 MB of memory in use. ENERGY: 1435600 744.5210 2038.8322 1958.7614 109.9681 -206408.9423 17954.8309 0.0000 0.0000 34434.4069 -149167.6217 300.7242 -183602.0286 -149075.4869 299.4661 33.1498 63.1679 558310.5986 -8.7374 -8.7086 PRESSURE: 1435800 -100.89 115.871 -56.5534 115.872 121.099 63.6232 -56.5543 63.6224 -553.701 GPRESSURE: 1435800 -25.4334 160.648 -89.0743 30.8917 102.522 31.6837 30.6804 26.2273 -518.138 PRESSAVG: 1435800 -23.8785 -19.4527 25.1492 -19.4527 -34.6215 16.187 25.1492 16.187 24.8293 GPRESSAVG: 1435800 -23.9124 -18.1856 25.1665 -20.8735 -35.776 17.4036 28.1087 15.5564 25.8698 TIMING: 1435800 CPU: 4283.05, 0.00301112/step Wall: 4283.05, 0.00301112/step, 2.98118 hours remaining, 207.429688 MB of memory in use. ENERGY: 1435800 763.8714 2057.1083 1916.8475 105.5877 -205797.8139 17574.9110 0.0000 0.0000 34247.6595 -149131.8286 299.0933 -183379.4881 -149034.9038 299.8549 -177.8305 -147.0165 559687.0509 -11.2236 -11.2729 PRESSURE: 1436000 -87.2378 -83.9723 -49.5701 -83.9739 -13.7146 -169.773 -49.5701 -169.773 -87.4707 GPRESSURE: 1436000 -61.0811 -16.6443 -19.6853 -149.284 -5.04673 -179.954 -7.61104 -158.232 -28.801 PRESSAVG: 1436000 11.1104 15.3315 21.3554 15.3316 -3.93617 -26.9231 21.3554 -26.9231 29.8836 GPRESSAVG: 1436000 10.5341 15.6939 20.7201 13.0161 -2.8178 -27.6677 20.5661 -28.8828 29.482 TIMING: 1436000 CPU: 4283.66, 0.0030303/step Wall: 4283.66, 0.0030303/step, 2.99999 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1436000 722.8952 2053.8014 1911.8121 99.2553 -206068.4115 17783.0039 0.0000 0.0000 34240.9810 -149256.6626 299.0350 -183497.6436 -149167.0200 299.5819 -62.8077 -31.6429 558966.9661 12.3526 12.3994 PRESSURE: 1436200 108.795 69.495 -20.8838 69.4946 -50.7724 -127.361 -20.8858 -127.363 241.705 GPRESSURE: 1436200 169.077 155.259 -25.6803 61.7738 -59.6435 -77.3722 -21.0398 -104.359 298.859 PRESSAVG: 1436200 28.0976 20.2475 33.0316 20.2475 -72.935 -10.1779 33.0316 -10.178 65.8579 GPRESSAVG: 1436200 29.1151 20.639 31.9782 20.9157 -73.125 -10.9238 33.5727 -6.27481 65.4673 TIMING: 1436200 CPU: 4284.26, 0.00302123/step Wall: 4284.26, 0.00302123/step, 2.99085 hours remaining, 207.429688 MB of memory in use. ENERGY: 1436200 720.0668 2040.8063 1931.2570 96.8244 -206616.6625 18229.6189 0.0000 0.0000 34309.3004 -149288.7888 299.6317 -183598.0892 -149190.2010 298.8571 99.9091 136.0976 558022.0258 7.0068 7.1525 LDB: ============= START OF LOAD BALANCING ============== 4287.81 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4287.81 LDB: =============== DONE WITH MIGRATION ================ 4287.81 LDB: ============= START OF LOAD BALANCING ============== 4288.11 LDB: Largest compute 4773 load 0.024444 is 20.7% of average load 0.118181 LDB: Average compute 0.001720 is 1.5% of average load 0.118181 LDB: TIME 4288.12 LOAD: AVG 0.118181 MAX 0.214647 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 4288.12 LOAD: AVG 0.118181 MAX 0.214647 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: TIME 4288.12 LOAD: AVG 0.118181 MAX 0.214647 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4288.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4288.12 PRESSURE: 1436400 -38.1279 -13.5995 35.8811 -13.5974 69.3468 -108.19 35.8806 -108.191 -4.2179 GPRESSURE: 1436400 34.4058 -16.0549 88.49 -55.0908 99.0035 -145.488 14.6356 -83.6023 -4.87266 PRESSAVG: 1436400 -25.7241 12.8511 8.00977 12.8511 25.5906 19.4828 8.00973 19.4829 -12.9052 GPRESSAVG: 1436400 -25.6397 11.3327 11.8309 15.3171 25.6618 20.4239 6.53623 17.102 -13.1422 TIMING: 1436400 CPU: 4284.87, 0.0030465/step Wall: 4284.87, 0.0030465/step, 3.0157 hours remaining, 207.285156 MB of memory in use. ENERGY: 1436400 738.1062 2085.6049 1900.8971 125.0811 -206296.0223 17893.6056 0.0000 0.0000 34101.9350 -149450.7923 297.8207 -183552.7273 -149350.8160 298.4557 9.0003 42.8456 559317.6653 -4.3462 -4.3734 PRESSURE: 1436600 103.004 -178.467 -64.6426 -178.469 -117.14 -14.2764 -64.6421 -14.2766 -97.3216 GPRESSURE: 1436600 177.917 -96.8821 -116.203 -174.341 -109.812 17.5635 36.7647 -84.0222 -85.5304 PRESSAVG: 1436600 16.4611 41.9301 31.377 41.9301 -10.3815 6.44955 31.377 6.44973 -65.2317 GPRESSAVG: 1436600 15.5684 42.0839 29.0809 39.7034 -9.52027 6.01806 31.0898 6.01383 -65.1207 TIMING: 1436600 CPU: 4285.48, 0.00301486/step Wall: 4285.48, 0.00301487/step, 2.98421 hours remaining, 207.285156 MB of memory in use. ENERGY: 1436600 770.2399 2131.5113 1894.3703 108.4910 -206930.4875 18029.5392 0.0000 0.0000 34545.8708 -149450.4651 301.6977 -183996.3359 -149356.9802 299.2341 -37.1527 -5.8084 558388.2228 -19.7174 -19.6909 PRESSURE: 1436800 -170.935 -75.876 -51.6289 -75.8771 76.8545 5.08326 -51.6288 5.08438 -123.997 GPRESSURE: 1436800 -183.227 -94.1496 -71.8408 -86.5815 157.268 5.50927 -38.7318 -0.963548 -99.875 PRESSAVG: 1436800 -14.9107 -19.0966 27.2042 -19.0965 -51.6538 40.1175 27.2041 40.1175 1.59049 GPRESSAVG: 1436800 -13.0207 -18.6917 26.705 -14.6846 -52.7481 38.0848 29.017 42.7933 1.0025 TIMING: 1436800 CPU: 4286.08, 0.00300341/step Wall: 4286.08, 0.00300341/step, 2.9727 hours remaining, 207.285156 MB of memory in use. ENERGY: 1436800 788.2139 2104.6342 1936.6124 113.6960 -206571.2991 17857.6037 0.0000 0.0000 34269.2718 -149501.2670 299.2821 -183770.5388 -149407.1647 298.9265 -72.6927 -41.9447 556838.1076 -21.6580 -21.5888 PRESSURE: 1437000 -264.611 -28.315 -8.98659 -28.314 221.982 -142.763 -8.98451 -142.765 -89.5694 GPRESSURE: 1437000 -207.507 47.6691 -13.5238 -108.118 209.605 -161.763 53.2254 -169.621 -39.9346 PRESSAVG: 1437000 -41.3639 16.1475 -22.7775 16.1474 28.4874 -35.1252 -22.7774 -35.1253 16.5792 GPRESSAVG: 1437000 -41.9345 14.7018 -23.4269 14.1476 28.6709 -33.9901 -22.0223 -35.9191 16.7028 TIMING: 1437000 CPU: 4286.68, 0.00299652/step Wall: 4286.68, 0.00299652/step, 2.96573 hours remaining, 207.285156 MB of memory in use. ENERGY: 1437000 751.1547 2097.9492 1927.2374 103.4766 -206369.2192 17864.5603 0.0000 0.0000 34206.7614 -149418.0795 298.7362 -183624.8409 -149333.7077 298.6493 -44.0661 -12.6123 557493.5735 1.2342 1.1464 PRESSURE: 1437200 -305.867 -23.6738 -29.8869 -23.6733 6.71383 -173.73 -29.8875 -173.73 144.495 GPRESSURE: 1437200 -313.424 -56.8956 -124.328 28.573 65.9486 -162.024 -53.2058 -227.503 183.584 PRESSAVG: 1437200 -32.6035 -7.72562 -14.7384 -7.72561 99.2469 -42.6019 -14.7383 -42.6019 17.2719 GPRESSAVG: 1437200 -33.627 -7.49276 -14.4526 -7.81425 100.232 -42.019 -15.7828 -42.1985 17.0318 TIMING: 1437200 CPU: 4287.27, 0.00296491/step Wall: 4287.27, 0.00296491/step, 2.93427 hours remaining, 207.285156 MB of memory in use. ENERGY: 1437200 746.3810 2065.5354 1918.1873 110.6823 -206339.3210 17895.3508 0.0000 0.0000 34039.4136 -149563.7706 297.2747 -183603.1842 -149477.8128 298.9227 -51.5528 -21.2970 559257.2972 27.9717 27.8789 PRESSURE: 1437400 -250.015 -180.769 -89.5064 -180.769 179.329 46.3059 -89.5063 46.3069 31.6129 GPRESSURE: 1437400 -240.86 -265.674 -101.062 -135.636 272.284 91.7256 -125.539 67.6036 23.6078 PRESSAVG: 1437400 -36.5209 -34.5517 -26.4764 -34.5517 52.4522 -44.0984 -26.4764 -44.0983 -22.601 GPRESSAVG: 1437400 -36.7698 -36.0097 -27.3049 -33.7122 52.6933 -44.9627 -26.3364 -44.899 -22.6505 TIMING: 1437400 CPU: 4287.86, 0.00297852/step Wall: 4287.86, 0.00297852/step, 2.94758 hours remaining, 207.285156 MB of memory in use. ENERGY: 1437400 784.8356 2002.4750 1940.7655 104.3861 -206573.2199 18115.4010 0.0000 0.0000 34177.4966 -149447.8602 298.4806 -183625.3568 -149354.0390 297.6654 -13.0245 18.3440 558549.7208 -2.2232 -2.2424 PRESSURE: 1437600 -59.1608 174.809 113.277 174.808 -109.896 -129.816 113.277 -129.815 14.1016 GPRESSURE: 1437600 21.8004 126.22 115.524 220.589 -131.805 -201.585 86.527 -133.346 40.5428 PRESSAVG: 1437600 -66.4251 -13.6978 -47.3988 -13.6979 38.4765 7.10926 -47.3988 7.10914 19.7116 GPRESSAVG: 1437600 -66.3425 -13.8828 -47.1643 -12.3088 37.2835 6.94726 -50.818 6.4361 21.032 TIMING: 1437600 CPU: 4288.46, 0.00297111/step Wall: 4288.46, 0.00297111/step, 2.94008 hours remaining, 207.285156 MB of memory in use. ENERGY: 1437600 762.1302 2062.5316 1962.3897 118.0514 -206139.5879 17693.2585 0.0000 0.0000 34084.8910 -149456.3355 297.6718 -183541.2265 -149360.4121 298.6313 -51.6515 -23.1538 557691.6320 -2.7456 -2.6757 PRESSURE: 1437800 -32.5128 35.407 -171.837 35.4073 127.554 -66.7083 -171.835 -66.7086 115.538 GPRESSURE: 1437800 7.0015 107.071 -138.761 48.6818 141.33 -195.756 -126.282 13.5359 158.075 PRESSAVG: 1437800 -52.4971 -10.2299 -8.03247 -10.2299 -11.7353 -32.4457 -8.03246 -32.4457 69.2528 GPRESSAVG: 1437800 -51.9228 -9.7604 -7.07639 -11.5316 -10.9054 -31.0628 -5.23423 -33.1357 67.6157 TIMING: 1437800 CPU: 4289.06, 0.0029943/step Wall: 4289.06, 0.0029943/step, 2.96286 hours remaining, 207.285156 MB of memory in use. ENERGY: 1437800 741.9748 2095.9473 1919.0393 104.1101 -206395.7927 17725.6415 0.0000 0.0000 34309.9779 -149499.1017 299.6376 -183809.0796 -149405.9715 298.6360 70.1932 102.1355 556015.8716 1.6735 1.5958 PRESSURE: 1438000 48.4724 64.1846 52.8404 64.185 -7.20227 122.865 52.8407 122.865 -203.346 GPRESSURE: 1438000 76.149 116.41 120.155 99.7005 15.0525 240.082 67.7307 73.8265 -165.357 PRESSAVG: 1438000 -0.863241 30.9333 -22.1239 30.9334 -11.595 -4.04303 -22.1239 -4.04302 63.1894 GPRESSAVG: 1438000 -0.997834 32.8904 -20.965 30.5193 -12.4222 -3.6484 -23.9761 -4.83716 64.268 TIMING: 1438000 CPU: 4289.66, 0.00299609/step Wall: 4289.66, 0.00299609/step, 2.96446 hours remaining, 207.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1438000 717.2518 2112.1554 1969.5180 108.3352 -206422.6766 17715.2199 0.0000 0.0000 34306.1374 -149494.0590 299.6040 -183800.1964 -149395.6885 298.7961 -54.0252 -24.7186 555895.4794 16.9104 16.9493 PRESSURE: 1438200 196.065 77.1584 -26.9004 77.1582 474.713 -200.106 -26.8993 -200.107 51.9541 GPRESSURE: 1438200 213.866 116.453 -47.3948 11.6124 487.501 -220.896 -30.9597 -123.887 128.486 PRESSAVG: 1438200 -43.7495 102.662 3.71144 102.662 30.6566 -42.4304 3.71141 -42.4304 -8.3231 GPRESSAVG: 1438200 -44.7367 101.509 1.74548 104.109 31.5431 -42.4731 5.87685 -43.4579 -8.60767 TIMING: 1438200 CPU: 4290.25, 0.00298428/step Wall: 4290.25, 0.00298428/step, 2.95261 hours remaining, 207.285156 MB of memory in use. ENERGY: 1438200 720.3225 2128.8139 1909.3714 115.6894 -206752.2910 18037.2284 0.0000 0.0000 34337.9591 -149502.9063 299.8819 -183840.8654 -149404.7626 298.6182 240.9106 276.6176 555307.2551 -7.1387 -7.2671 PRESSURE: 1438400 168.632 -222.389 -121.725 -222.388 -29.2522 -87.7315 -121.724 -87.7314 16.2949 GPRESSURE: 1438400 204.213 -311.83 -183.639 -197.123 -1.43547 -107.978 -77.2561 -77.5058 57.2068 PRESSAVG: 1438400 14.3596 -16.7806 11.62 -16.7805 44.9432 -68.6486 11.62 -68.6486 -67.7205 GPRESSAVG: 1438400 15.404 -16.0824 11.0098 -17.9221 44.0951 -70.8269 10.8184 -67.3208 -68.1974 TIMING: 1438400 CPU: 4290.85, 0.00297057/step Wall: 4290.85, 0.00297057/step, 2.93888 hours remaining, 207.285156 MB of memory in use. ENERGY: 1438400 760.8525 2115.4714 1915.5707 107.6334 -206391.9009 17922.6769 0.0000 0.0000 34048.0279 -149521.6680 297.3499 -183569.6959 -149428.1928 298.7810 51.8917 86.6614 555028.3460 -2.8059 -2.8994 PRESSURE: 1438600 -328.493 -3.44433 215.822 -3.44335 -228.551 33.0801 215.822 33.08 25.3106 GPRESSURE: 1438600 -290.121 76.3967 158.144 -53.852 -199.905 52.8852 198.035 -12.9576 46.4624 PRESSAVG: 1438600 -11.9624 -41.5122 12.6177 -41.5122 -46.6761 -35.8041 12.6177 -35.804 49.654 GPRESSAVG: 1438600 -12.4416 -42.4909 13.6275 -42.2327 -46.746 -35.5593 12.5601 -35.9762 49.9536 TIMING: 1438600 CPU: 4291.44, 0.00298422/step Wall: 4291.44, 0.00298422/step, 2.95222 hours remaining, 207.285156 MB of memory in use. ENERGY: 1438600 796.8608 2091.7456 1898.8527 109.7610 -206630.5540 17786.4803 0.0000 0.0000 34135.4514 -149811.4022 298.1134 -183946.8536 -149714.1677 297.8356 -177.2443 -147.8545 556720.2758 -2.9948 -3.0780 PRESSURE: 1438800 -126.208 -129.256 130.381 -129.254 9.09399 -38.4416 130.381 -38.4428 -245.351 GPRESSURE: 1438800 -66.9422 -237.292 -30.2613 -67.2997 -4.88703 -48.3905 184.775 14.1241 -188.321 PRESSAVG: 1438800 -46.673 -33.737 39.6649 -33.7369 -36.112 -18.2229 39.6649 -18.2229 118.01 GPRESSAVG: 1438800 -46.541 -32.4573 38.4669 -35.2825 -35.6481 -18.9823 41.2611 -16.959 118.025 TIMING: 1438800 CPU: 4292.04, 0.00296993/step Wall: 4292.04, 0.00296993/step, 2.93793 hours remaining, 207.285156 MB of memory in use. ENERGY: 1438800 759.1454 2096.8755 1907.7444 112.2650 -206066.5758 17526.3662 0.0000 0.0000 34028.9559 -149635.2234 297.1833 -183664.1794 -149543.3309 298.2983 -120.8214 -86.7167 556168.1241 11.7418 11.9454 PRESSURE: 1439000 49.4456 61.2481 97.3414 61.247 188.889 34.6747 97.3413 34.6732 32.0971 GPRESSURE: 1439000 47.1206 72.6221 101.118 62.8544 247.109 -63.0695 52.0349 62.8617 73.3818 PRESSAVG: 1439000 23.9228 -38.0953 -42.4739 -38.0952 -0.710511 -9.52579 -42.4738 -9.52596 -8.26033 GPRESSAVG: 1439000 24.0215 -36.9475 -42.2086 -35.6237 -1.28569 -8.3141 -43.6353 -11.3698 -8.36385 TIMING: 1439000 CPU: 4292.64, 0.00298661/step Wall: 4292.64, 0.00298661/step, 2.95425 hours remaining, 207.285156 MB of memory in use. ENERGY: 1439000 755.6937 2113.7790 1933.9611 107.0721 -206855.9147 17939.1295 0.0000 0.0000 34399.2376 -149607.0418 300.4171 -184006.2793 -149512.3519 297.8999 90.1438 122.5372 555929.5361 4.9840 4.7906 PRESSURE: 1439200 -157.044 -9.48714 -105.077 -9.48685 -82.1701 42.524 -105.077 42.5227 94.2556 GPRESSURE: 1439200 -121.078 -17.7154 -134.313 -103.25 53.2412 139.203 -59.3945 -7.90659 22.8433 PRESSAVG: 1439200 -9.11868 -39.5299 -32.583 -39.5299 -20.8146 -11.5015 -32.5829 -11.5016 36.5216 GPRESSAVG: 1439200 -9.47107 -40.7476 -33.606 -40.677 -20.0857 -12.3624 -31.3324 -9.61652 35.66 TIMING: 1439200 CPU: 4293.23, 0.00298057/step Wall: 4293.23, 0.00298057/step, 2.94812 hours remaining, 207.285156 MB of memory in use. ENERGY: 1439200 720.8276 2058.9396 1936.4079 124.0050 -206530.6527 17818.5981 0.0000 0.0000 34369.5124 -149502.3621 300.1575 -183871.8744 -149401.4399 297.9051 -48.3196 -14.9980 556547.3630 2.1961 2.0344 PRESSURE: 1439400 -72.4999 -183.426 128.322 -183.426 -146.092 83.0915 128.322 83.0922 -81.7844 GPRESSURE: 1439400 -73.2604 -196.641 89.2373 -150.304 -135.445 131.855 182.771 15.0908 10.3996 PRESSAVG: 1439400 14.9672 -20.7899 -60.2158 -20.7899 -73.2755 -11.0957 -60.2159 -11.0957 72.1145 GPRESSAVG: 1439400 14.5649 -21.2469 -60.1296 -21.0031 -74.5388 -11.0521 -59.0843 -11.2868 73.213 TIMING: 1439400 CPU: 4293.84, 0.00302084/step Wall: 4293.84, 0.00302084/step, 2.98778 hours remaining, 207.285156 MB of memory in use. ENERGY: 1439400 747.5455 2105.3848 1939.7615 111.9363 -206265.7005 17640.3972 0.0000 0.0000 34281.3372 -149439.3380 299.3874 -183720.6752 -149344.3612 298.1817 -100.1255 -66.1020 557828.6213 4.6021 4.4131 PRESSURE: 1439600 -0.492721 -29.8476 -23.3678 -29.8481 79.5071 -125.969 -23.3675 -125.969 -225.456 GPRESSURE: 1439600 -28.5996 -84.9462 -49.1824 -38.1448 138.67 -19.8429 75.0523 -94.9553 -151.526 PRESSAVG: 1439600 23.4307 -60.0072 1.88398 -60.0072 -39.5684 12.2708 1.88395 12.2708 39.4872 GPRESSAVG: 1439600 23.6173 -61.0468 0.64046 -59.7841 -38.8709 10.8589 1.71913 13.5925 39.0173 TIMING: 1439600 CPU: 4294.45, 0.00304793/step Wall: 4294.45, 0.00304793/step, 3.01441 hours remaining, 207.285156 MB of memory in use. ENERGY: 1439600 739.9528 2135.6811 1934.8146 109.4580 -206131.6908 17588.9011 0.0000 0.0000 34147.9267 -149474.9565 298.2223 -183622.8831 -149374.1053 298.9348 -48.8138 -13.8184 558152.8544 7.7832 7.9212 PRESSURE: 1439800 98.8903 -168.356 44.0185 -168.357 -19.9595 48.4255 44.0186 48.4261 269.306 GPRESSURE: 1439800 147.696 -187.245 -37.2546 -121.341 3.34096 59.3068 73.4389 35.849 294.493 PRESSAVG: 1439800 36.2443 -36.7296 -22.5179 -36.7296 -22.1013 6.82169 -22.5179 6.82176 -7.39195 GPRESSAVG: 1439800 36.182 -35.7367 -21.2572 -37.4415 -21.2166 9.81728 -26.1093 4.97391 -8.35968 TIMING: 1439800 CPU: 4295.05, 0.00300611/step Wall: 4295.05, 0.00300611/step, 2.97287 hours remaining, 207.285156 MB of memory in use. ENERGY: 1439800 741.3321 2088.0794 1922.4621 99.8840 -206654.3891 17995.7224 0.0000 0.0000 34278.5004 -149528.4086 299.3627 -183806.9090 -149428.6358 298.0637 116.0790 148.5099 556373.9482 2.2503 2.2019 PRESSURE: 1440000 -233.271 -238.949 35.0134 -238.948 25.5415 46.2912 35.0125 46.2924 103.744 GPRESSURE: 1440000 -233.54 -253.574 8.12435 -222.517 56.2239 -41.4882 118.217 28.364 172.174 PRESSAVG: 1440000 -47.1658 23.3898 72.0457 23.3898 -0.220274 -29.586 72.0457 -29.586 99.8838 GPRESSAVG: 1440000 -47.1507 22.066 72.9424 25.1275 -0.704759 -30.7698 73.6813 -29.2463 100.16 TIMING: 1440000 CPU: 4295.66, 0.00307909/step Wall: 4295.66, 0.00307909/step, 3.04488 hours remaining, 207.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1440000 748.8142 2084.7838 1960.0510 122.9650 -206018.0438 17727.6301 0.0000 0.0000 34061.3999 -149312.3999 297.4667 -183373.7998 -149216.9693 298.7521 -34.6620 -1.7140 558165.1260 17.4992 17.4347 PRESSURE: 1440200 11.9054 -129.281 33.3495 -129.281 198.945 17.564 33.3498 17.566 -78.5309 GPRESSURE: 1440200 75.7596 -81.6807 61.0205 -226.393 193.784 14.8159 64.8166 25.2033 -42.8946 PRESSAVG: 1440200 -62.3926 19.1537 7.27831 19.1537 35.0505 -21.274 7.27838 -21.274 91.7955 GPRESSAVG: 1440200 -62.1517 20.7841 7.15992 16.8235 35.343 -22.108 6.71294 -22.0554 91.3614 TIMING: 1440200 CPU: 4296.28, 0.00308824/step Wall: 4296.28, 0.00308824/step, 3.05376 hours remaining, 207.285156 MB of memory in use. ENERGY: 1440200 755.6793 2061.3837 1933.8115 107.4790 -206059.1185 17754.5131 0.0000 0.0000 34364.9003 -149081.3515 300.1172 -183446.2519 -148983.6431 299.3293 44.1064 75.5496 558247.7216 21.4845 21.5176 LDB: ============= START OF LOAD BALANCING ============== 4299.84 LDB: ============== END OF LOAD BALANCING =============== 4299.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4299.84 LDB: ============= START OF LOAD BALANCING ============== 4300.14 LDB: Largest compute 4796 load 0.025190 is 21.3% of average load 0.118208 LDB: Average compute 0.001723 is 1.5% of average load 0.118208 LDB: TIME 4300.14 LOAD: AVG 0.118208 MAX 0.214847 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 4300.14 LOAD: AVG 0.118208 MAX 0.214847 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.559 MB LDB: TIME 4300.14 LOAD: AVG 0.118208 MAX 0.214847 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.559 MB LDB: ============== END OF LOAD BALANCING =============== 4300.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4300.15 PRESSURE: 1440400 -275.068 87.6354 -118.323 87.6348 -184.671 -115.521 -118.323 -115.521 -352.144 GPRESSURE: 1440400 -229.624 96.9426 -121.956 183.396 -167.141 -85.0949 -55.3691 -94.636 -322.614 PRESSAVG: 1440400 -17.0482 20.2722 -17.2707 20.2721 -3.2668 11.8204 -17.2707 11.8204 37.7005 GPRESSAVG: 1440400 -17.1641 18.8932 -17.5104 23.8934 -2.95503 13.0668 -15.0364 11.6014 37.1985 TIMING: 1440400 CPU: 4296.9, 0.00309326/step Wall: 4296.9, 0.00309325/step, 3.05854 hours remaining, 206.003906 MB of memory in use. ENERGY: 1440400 800.1389 2075.0582 1934.3844 111.8734 -206042.7535 17449.4946 0.0000 0.0000 34535.1937 -149136.6103 301.6044 -183671.8040 -149037.7981 299.7081 -270.6276 -239.7934 558947.3639 5.7952 5.6931 PRESSURE: 1440600 -33.6916 80.8307 87.3379 80.8309 67.078 -7.70816 87.3377 -7.70746 26.852 GPRESSURE: 1440600 16.9729 115.725 31.0289 -1.66176 55.7868 -11.86 122.48 42.3425 87.9334 PRESSAVG: 1440600 -50.3574 -3.32119 14.4244 -3.32114 -16.4047 54.6279 14.4245 54.6279 63.268 GPRESSAVG: 1440600 -51.388 -0.305775 14.6862 -7.1851 -16.3191 53.8206 13.4761 52.6681 64.1347 TIMING: 1440600 CPU: 4297.51, 0.00304792/step Wall: 4297.51, 0.00304792/step, 3.01355 hours remaining, 206.003906 MB of memory in use. ENERGY: 1440600 740.8049 2072.4711 1921.0671 114.0614 -206258.4326 17728.3375 0.0000 0.0000 34276.2062 -149405.4844 299.3426 -183681.6905 -149303.6769 299.7503 20.0795 53.5644 556826.4687 -1.1647 -1.1908 PRESSURE: 1440800 76.9411 125.149 -22.0665 125.149 -320.717 124.423 -22.0663 124.423 114.534 GPRESSURE: 1440800 67.8549 75.4552 29.7999 137.127 -246.426 141.489 -70.0841 49.9845 136.145 PRESSAVG: 1440800 1.7387 35.179 -17.7791 35.179 -17.0531 -1.29028 -17.7791 -1.29019 13.453 GPRESSAVG: 1440800 1.61681 31.1078 -18.1702 38.383 -16.6271 -2.51052 -18.064 -1.39189 12.8456 TIMING: 1440800 CPU: 4298.11, 0.00302265/step Wall: 4298.11, 0.00302265/step, 2.98839 hours remaining, 206.003906 MB of memory in use. ENERGY: 1440800 790.2318 2105.9106 1932.4470 113.7185 -206536.1851 17816.3928 0.0000 0.0000 34251.2985 -149526.1858 299.1251 -183777.4843 -149442.4336 299.3038 -43.0808 -14.1423 556213.3926 -0.6205 -0.7216 PRESSURE: 1441000 -39.5556 -65.7796 -106.582 -65.7798 44.8456 109.922 -106.584 109.923 -11.5961 GPRESSURE: 1441000 15.8229 34.0128 -68.8813 -127.589 88.7672 119.573 -152.038 144.93 -2.7635 PRESSAVG: 1441000 -44.4608 41.3455 -39.5387 41.3454 -32.8049 -56.3433 -39.5386 -56.3432 77.0796 GPRESSAVG: 1441000 -43.516 42.5032 -38.3182 39.2418 -33.3702 -54.7165 -41.3821 -53.4822 76.8246 TIMING: 1441000 CPU: 4298.72, 0.00301736/step Wall: 4298.72, 0.00301736/step, 2.983 hours remaining, 206.003906 MB of memory in use. ENERGY: 1441000 765.6665 2073.5524 1936.8212 122.8652 -206982.7503 18062.8938 0.0000 0.0000 34488.6160 -149532.3352 301.1977 -184020.9512 -149442.2935 298.5285 -2.1020 33.9422 558419.4612 -0.0620 -0.0206 PRESSURE: 1441200 -124.337 52.9671 28.5417 52.9668 143.56 89.2638 28.5425 89.264 -93.038 GPRESSURE: 1441200 -73.9305 108.723 3.67174 99.187 123.755 88.7095 128.446 52.114 -44.4284 PRESSAVG: 1441200 -19.5455 0.263652 -23.8336 0.263651 57.1571 -4.56276 -23.8336 -4.56267 -55.3924 GPRESSAVG: 1441200 -19.4925 1.19179 -23.3373 0.507826 57.4123 -7.08782 -24.1199 -6.53847 -55.9999 TIMING: 1441200 CPU: 4299.32, 0.00300409/step Wall: 4299.32, 0.00300409/step, 2.96971 hours remaining, 206.003906 MB of memory in use. ENERGY: 1441200 760.6673 2140.8636 1931.7387 111.0019 -206712.2515 17926.4168 0.0000 0.0000 34239.3123 -149602.2509 299.0204 -183841.5632 -149499.6194 298.8320 -24.6049 1.7988 556871.0628 -5.9269 -6.0267 PRESSURE: 1441400 -84.5937 98.6037 44.069 98.6035 -109.906 -2.04417 44.0695 -2.04412 -203.73 GPRESSURE: 1441400 -69.3422 81.6082 -17.0559 66.119 -63.447 -89.554 64.2358 38.7934 -164.694 PRESSAVG: 1441400 6.93272 10.2172 8.33078 10.2174 -1.41392 -19.3043 8.33078 -19.3043 0.779448 GPRESSAVG: 1441400 7.59216 11.4019 7.44594 9.44401 -1.63764 -17.6267 8.4207 -17.6256 0.801349 TIMING: 1441400 CPU: 4299.91, 0.00297663/step Wall: 4299.91, 0.00297663/step, 2.9424 hours remaining, 206.003906 MB of memory in use. ENERGY: 1441400 753.9423 2112.9946 1909.9883 116.7256 -206312.6602 17752.5981 0.0000 0.0000 34131.4467 -149534.9647 298.0784 -183666.4114 -149436.9292 298.9839 -132.7430 -99.1611 558377.7896 2.0994 2.2520 PRESSURE: 1441600 -172.801 15.6813 26.2404 15.6816 -87.3059 -96.9148 26.2405 -96.9146 -99.2796 GPRESSURE: 1441600 -30.0215 -6.97135 17.814 36.4529 -118.891 -152.489 143.72 -101.365 -113.112 PRESSAVG: 1441600 27.808 -55.8636 -13.1488 -55.8637 26.2646 0.212115 -13.1487 0.212112 -58.296 GPRESSAVG: 1441600 26.6633 -57.5568 -13.6247 -53.1029 25.6644 1.76888 -10.925 -1.91431 -56.8459 TIMING: 1441600 CPU: 4300.51, 0.00298929/step Wall: 4300.51, 0.00298929/step, 2.95474 hours remaining, 206.003906 MB of memory in use. ENERGY: 1441600 794.8967 2040.2519 1944.5947 112.0129 -206228.6489 17843.0447 0.0000 0.0000 34000.5770 -149493.2710 296.9355 -183493.8479 -149392.4613 298.4348 -119.7954 -87.3412 558781.1233 -1.4078 -1.5061 PRESSURE: 1441800 156.409 56.4018 -155.689 56.4021 -80.9905 -65.9109 -155.688 -65.912 -93.4861 GPRESSURE: 1441800 223.469 14.7603 -100.445 82.3467 -52.4004 -35.9405 -177.734 -107.845 -98.5452 PRESSAVG: 1441800 27.711 -23.262 -11.29 -23.262 -14.3682 -17.6655 -11.2899 -17.6654 -1.44846 GPRESSAVG: 1441800 28.0918 -21.8873 -8.37427 -25.7532 -14.1461 -16.2257 -13.2227 -18.5765 -2.71887 TIMING: 1441800 CPU: 4301.11, 0.0029955/step Wall: 4301.11, 0.0029955/step, 2.96072 hours remaining, 206.003906 MB of memory in use. ENERGY: 1441800 753.8617 2093.3774 1924.9470 119.9355 -206603.6013 18173.9238 0.0000 0.0000 34347.6853 -149189.8705 299.9669 -183537.5558 -149091.3674 299.0728 -6.0227 24.1745 559263.5920 3.9648 3.7423 PRESSURE: 1442000 -123.782 -31.2018 -43.6748 -31.2023 -196.952 110.235 -43.6753 110.237 -126.77 GPRESSURE: 1442000 -78.0512 -51.8911 7.64706 -67.5664 -154.495 200.566 -71.1642 99.656 -118.302 PRESSAVG: 1442000 25.3113 0.213934 33.602 0.213965 -88.9646 -9.02857 33.6019 -9.02856 58.3231 GPRESSAVG: 1442000 25.8381 -0.64898 31.5031 1.35339 -89.7781 -13.0412 34.3202 -6.8994 59.2122 TIMING: 1442000 CPU: 4301.7, 0.00294089/step Wall: 4301.7, 0.00294089/step, 2.90658 hours remaining, 206.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1442000 765.1108 2043.7673 1945.8562 114.0479 -206354.0851 17772.6692 0.0000 0.0000 34357.7895 -149354.8441 300.0551 -183712.6336 -149257.2962 298.8633 -149.1680 -116.9494 558635.0073 -1.7768 -1.5759 PRESSURE: 1442200 -88.4399 105.294 -37.1945 105.295 -180.185 -48.0392 -37.1947 -48.0402 -193.786 GPRESSURE: 1442200 -51.2097 126.731 -5.43724 76.2145 -159.473 39.3017 -5.56731 -56.8019 -168.015 PRESSAVG: 1442200 12.1739 -12.1192 22.4956 -12.1192 -6.98188 -9.06964 22.4956 -9.06957 -23.1911 GPRESSAVG: 1442200 12.7762 -13.5081 21.514 -11.4549 -5.75232 -8.3022 22.5018 -10.5346 -25.1922 TIMING: 1442200 CPU: 4302.29, 0.00296078/step Wall: 4302.29, 0.00296078/step, 2.92607 hours remaining, 206.003906 MB of memory in use. ENERGY: 1442200 790.6815 2099.0968 1935.7645 105.7716 -206318.5499 17807.0807 0.0000 0.0000 34433.5296 -149146.6251 300.7166 -183580.1547 -149047.7314 299.1302 -154.1371 -126.2325 557457.1992 -5.9997 -6.0561 PRESSURE: 1442400 -138.465 83.4572 144.045 83.4587 97.982 -56.4502 144.044 -56.449 -140.633 GPRESSURE: 1442400 -15.6667 33.9885 75.6925 38.1074 79.0591 -18.8605 149.316 -11.8663 -145.635 PRESSAVG: 1442400 29.6173 21.3942 54.8948 21.3942 13.253 -29.2397 54.8949 -29.2396 -5.79114 GPRESSAVG: 1442400 29.4743 25.5737 56.1249 18.3724 11.9652 -27.3292 55.125 -28.4821 -4.70289 TIMING: 1442400 CPU: 4302.89, 0.00299526/step Wall: 4302.89, 0.00299526/step, 2.95998 hours remaining, 206.003906 MB of memory in use. ENERGY: 1442400 750.6370 2103.0648 1888.7910 122.3672 -206564.7028 17896.4440 0.0000 0.0000 34327.2166 -149476.1821 299.7881 -183803.3988 -149381.7165 300.0487 -60.3719 -27.4141 557328.7353 12.3597 12.2455 PRESSURE: 1442600 -21.8439 -26.1537 177.194 -26.1535 -157.878 48.9313 177.196 48.931 -228.608 GPRESSURE: 1442600 -78.7151 -31.8666 171.987 12.1054 -93.1455 42.3481 242.583 101.702 -140.999 PRESSAVG: 1442600 27.7034 19.5783 14.5567 19.5783 -4.23517 57.1831 14.5568 57.1831 3.65764 GPRESSAVG: 1442600 27.5386 18.5189 13.9078 20.9584 -3.25353 55.3641 13.4731 56.9052 2.89155 TIMING: 1442600 CPU: 4303.49, 0.00300047/step Wall: 4303.49, 0.00300047/step, 2.96496 hours remaining, 206.003906 MB of memory in use. ENERGY: 1442600 799.3728 2026.9138 1907.9037 105.5012 -205948.4860 17563.5679 0.0000 0.0000 34110.2502 -149434.9764 297.8933 -183545.2266 -149329.0900 298.8119 -136.1098 -104.2865 557547.6980 9.0419 9.0589 PRESSURE: 1442800 118.841 -133.787 -232.968 -133.787 20.6941 19.6133 -232.969 19.6125 85.8822 GPRESSURE: 1442800 171.105 -88.7527 -195.671 -215.367 -16.7651 54.5452 -217.422 17.7883 167.425 PRESSAVG: 1442800 32.4814 -57.327 -72.2971 -57.3268 16.0185 5.53519 -72.2971 5.53529 -4.94413 GPRESSAVG: 1442800 32.3907 -58.805 -70.8806 -58.1905 14.2888 6.07581 -73.1511 4.66015 -3.90176 TIMING: 1442800 CPU: 4304.09, 0.00298596/step Wall: 4304.09, 0.00298596/step, 2.95046 hours remaining, 206.003906 MB of memory in use. ENERGY: 1442800 738.5667 2070.6391 1907.5745 108.6027 -206584.4438 17964.4207 0.0000 0.0000 34340.8931 -149453.7470 299.9076 -183794.6401 -149351.6433 298.5601 75.1390 107.2549 557299.2537 14.5186 14.2592 PRESSURE: 1443000 109.415 101.317 84.8809 101.317 69.4453 49.0376 84.8808 49.0381 -37.9801 GPRESSURE: 1443000 149.232 76.9388 120.726 97.7161 103.792 50.987 120.56 104.589 -26.4936 PRESSAVG: 1443000 34.5114 -39.8591 0.739269 -39.8592 -5.32784 -46.4827 0.739282 -46.4828 28.587 GPRESSAVG: 1443000 34.2511 -38.3498 -0.577887 -39.9753 -5.5612 -45.2025 1.89487 -45.9723 28.714 TIMING: 1443000 CPU: 4304.68, 0.00297309/step Wall: 4304.68, 0.00297309/step, 2.93757 hours remaining, 206.003906 MB of memory in use. ENERGY: 1443000 776.0187 2055.9132 1918.3048 123.5282 -206576.8482 18045.2243 0.0000 0.0000 34305.2120 -149352.6469 299.5959 -183657.8589 -149259.7534 298.7669 46.9600 75.5099 558406.3709 19.2569 19.1347 PRESSURE: 1443200 34.7848 26.7014 41.7553 26.7022 154.897 -33.5308 41.7555 -33.5307 -3.96959 GPRESSURE: 1443200 70.0057 -10.5649 75.7165 74.1649 197.302 -146.001 -7.71331 46.2087 27.1995 PRESSAVG: 1443200 18.0342 36.9023 -15.3213 36.9023 -36.8405 10.5996 -15.3212 10.5995 19.9488 GPRESSAVG: 1443200 19.1665 36.4083 -15.0034 36.9689 -36.2052 9.51981 -16.914 11.399 18.5222 TIMING: 1443200 CPU: 4305.28, 0.00300787/step Wall: 4305.28, 0.00300787/step, 2.97178 hours remaining, 206.003906 MB of memory in use. ENERGY: 1443200 741.2016 2054.7146 1929.2616 114.5102 -206363.3549 17954.1775 0.0000 0.0000 34204.4963 -149364.9931 298.7164 -183569.4893 -149258.2663 298.1551 61.9040 98.1692 557992.1550 0.3808 0.4945 PRESSURE: 1443400 -37.9806 125.458 50.577 125.457 104.735 94.2598 50.5776 94.2588 -30.9447 GPRESSURE: 1443400 -20.531 165.376 112.991 100.893 121.927 110.151 77.0338 43.7947 38.7799 PRESSAVG: 1443400 -12.231 48.2455 -59.762 48.2455 70.6703 22.3507 -59.762 22.3507 -29.124 GPRESSAVG: 1443400 -11.3891 48.3984 -58.6662 48.4476 69.3174 21.651 -58.7913 22.8501 -28.4856 TIMING: 1443400 CPU: 4305.88, 0.00297868/step Wall: 4305.88, 0.00297868/step, 2.94277 hours remaining, 206.003906 MB of memory in use. ENERGY: 1443400 739.4747 2104.5479 1931.1919 113.8608 -206198.2821 17684.0377 0.0000 0.0000 34213.0400 -149412.1292 298.7910 -183625.1692 -149310.4132 299.1429 11.9366 46.7252 557773.2719 9.7718 9.8143 PRESSURE: 1443600 299.375 -17.5116 -126.893 -17.512 122.499 -107.354 -126.893 -107.355 -107.09 GPRESSURE: 1443600 298.237 6.0537 -112.135 26.7591 140.113 -94.3508 -85.756 -119.647 -20.2169 PRESSAVG: 1443600 -1.93213 -33.1029 -21.199 -33.1029 41.1288 83.9419 -21.1989 83.9419 -22.2682 GPRESSAVG: 1443600 -4.62448 -33.8045 -20.9232 -33.0312 43.5627 85.7692 -22.7656 83.2917 -21.505 TIMING: 1443600 CPU: 4306.48, 0.00298331/step Wall: 4306.48, 0.00298331/step, 2.94718 hours remaining, 206.003906 MB of memory in use. ENERGY: 1443600 762.1299 2067.3686 1920.3222 103.1380 -206652.1953 18115.7621 0.0000 0.0000 34277.0720 -149406.4026 299.3502 -183683.4746 -149315.4343 298.9634 104.9282 139.3778 557586.3863 5.6428 5.8111 PRESSURE: 1443800 -62.6376 -114.172 -18.1174 -114.172 71.9757 -154.023 -18.1176 -154.024 -71.7627 GPRESSURE: 1443800 -69.9239 -186.523 -4.67025 -109.876 106.045 -150.283 41.5727 -105.356 -3.00814 PRESSAVG: 1443800 14.2055 -14.8028 80.5661 -14.8027 6.5514 -1.65562 80.5662 -1.65563 -41.9514 GPRESSAVG: 1443800 14.8522 -14.7296 77.7471 -15.3353 6.95114 -2.62341 82.593 -1.6174 -42.7647 TIMING: 1443800 CPU: 4307.07, 0.00299769/step Wall: 4307.07, 0.00299769/step, 2.96121 hours remaining, 206.003906 MB of memory in use. ENERGY: 1443800 775.2290 2101.9639 1907.0803 118.2445 -205920.1430 17715.3307 0.0000 0.0000 33977.7328 -149324.5618 296.7360 -183302.2946 -149230.7387 298.4132 -20.8082 11.0376 558411.9919 -7.0648 -6.9871 PRESSURE: 1444000 74.6703 230.454 25.2751 230.454 40.674 -121.881 25.2759 -121.881 -13.312 GPRESSURE: 1444000 80.1658 118.666 -24.0526 205.082 123.756 -27.5691 23.6778 -209.616 0.666479 PRESSAVG: 1444000 11.9861 14.6315 63.9632 14.6314 -30.3834 -39.6742 63.9632 -39.6742 13.0886 GPRESSAVG: 1444000 12.5553 13.3093 65.8374 16.0025 -31.3419 -41.4418 61.8098 -38.5278 13.4515 TIMING: 1444000 CPU: 4307.67, 0.00299782/step Wall: 4307.67, 0.00299782/step, 2.96118 hours remaining, 206.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1444000 751.1001 2115.5190 1941.5178 117.9125 -206146.1934 17744.0056 0.0000 0.0000 34082.6941 -149393.4443 297.6526 -183476.1384 -149296.7686 298.4319 34.0108 68.1962 555692.2669 -1.7696 -1.7784 PRESSURE: 1444200 -156.375 44.2085 -96.5545 44.2087 51.9978 -117.26 -96.5535 -117.26 -93.6547 GPRESSURE: 1444200 -156.77 103.764 -17.7145 3.44202 84.5362 -78.7818 -176.423 -71.5198 -35.4442 PRESSAVG: 1444200 -81.9648 -14.6339 0.0761069 -14.6338 34.1009 -6.71156 0.0760956 -6.71157 44.2222 GPRESSAVG: 1444200 -81.4627 -11.801 0.115258 -13.869 33.9928 -6.31544 2.17246 -7.09528 43.7562 TIMING: 1444200 CPU: 4308.28, 0.00301411/step Wall: 4308.28, 0.00301411/step, 2.9771 hours remaining, 206.003906 MB of memory in use. ENERGY: 1444200 749.0343 2109.0675 1959.8954 98.9196 -206123.2896 17608.3211 0.0000 0.0000 34171.9623 -149426.0894 298.4322 -183598.0518 -149327.3436 298.3732 -66.0107 -35.8926 556172.9898 -1.2139 -1.2379 LDB: ============= START OF LOAD BALANCING ============== 4311.83 LDB: ============== END OF LOAD BALANCING =============== 4311.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4311.83 LDB: ============= START OF LOAD BALANCING ============== 4312.13 LDB: Largest compute 4773 load 0.025019 is 21.2% of average load 0.118062 LDB: Average compute 0.001728 is 1.5% of average load 0.118062 LDB: TIME 4312.13 LOAD: AVG 0.118062 MAX 0.215111 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.773 MB LDB: TIME 4312.13 LOAD: AVG 0.118062 MAX 0.215111 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.785 MB LDB: TIME 4312.13 LOAD: AVG 0.118062 MAX 0.215111 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.785 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4312.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4312.14 PRESSURE: 1444400 -78.2261 121.998 135.218 121.998 -162.153 -112.702 135.218 -112.703 -81.5119 GPRESSURE: 1444400 -45.9322 156.409 160.42 92.2908 -151.991 -48.4036 106.121 -230.996 -19.4092 PRESSAVG: 1444400 -44.6885 -14.9594 37.6882 -14.9593 3.61503 -100.803 37.6882 -100.803 3.31176 GPRESSAVG: 1444400 -45.6937 -15.7831 38.2684 -16.164 3.68864 -99.6065 36.3674 -100.739 4.42633 TIMING: 1444400 CPU: 4308.89, 0.00305677/step Wall: 4308.89, 0.00305677/step, 3.01907 hours remaining, 207.160156 MB of memory in use. ENERGY: 1444400 772.3188 2086.2258 1936.4353 118.8729 -206408.8822 17725.9610 0.0000 0.0000 34141.5350 -149627.5333 298.1665 -183769.0683 -149533.9040 298.4377 -107.2971 -72.4442 557117.0152 -12.5872 -12.5263 PRESSURE: 1444600 -257.961 -27.6254 -100.584 -27.6252 -110.617 -135.485 -100.585 -135.485 -71.6501 GPRESSURE: 1444600 -206.794 44.1244 -77.2925 -14.0618 -92.6911 -184.323 -68.695 -137.092 -49.4075 PRESSAVG: 1444600 8.76134 11.7591 73.8331 11.7593 10.8271 -52.7723 73.8331 -52.7723 5.83024 GPRESSAVG: 1444600 10.2005 11.5024 73.8962 11.7707 10.2458 -53.5129 73.7423 -52.1748 4.41091 TIMING: 1444600 CPU: 4309.49, 0.00298163/step Wall: 4309.48, 0.00298163/step, 2.94469 hours remaining, 207.226562 MB of memory in use. ENERGY: 1444600 793.8654 2056.5817 1950.8408 117.0041 -206273.5653 17705.9901 0.0000 0.0000 33964.1814 -149685.1019 296.6176 -183649.2833 -149594.1324 297.8194 -146.7428 -116.2975 556794.8923 8.4729 8.2857 PRESSURE: 1444800 -139.663 47.2303 -53.9038 47.2304 -222.584 -47.4924 -53.9033 -47.4923 -50.2487 GPRESSURE: 1444800 -100.877 35.2419 9.75105 87.5628 -133.487 5.56763 -94.0692 -65.5503 -75.2253 PRESSAVG: 1444800 0.408676 -31.568 34.6472 -31.5678 -44.4547 42.0668 34.6473 42.0667 63.118 GPRESSAVG: 1444800 -1.29187 -32.228 35.49 -29.9882 -43.5804 44.0989 36.2179 39.2886 64.3405 TIMING: 1444800 CPU: 4310.08, 0.00297489/step Wall: 4310.08, 0.00297489/step, 2.93787 hours remaining, 207.226562 MB of memory in use. ENERGY: 1444800 728.2158 2124.0673 1927.8757 106.2505 -206142.1280 17482.1705 0.0000 0.0000 33948.1165 -149825.4316 296.4773 -183773.5481 -149735.8001 297.8017 -137.4985 -103.1964 557150.7009 6.3573 6.4894 PRESSURE: 1445000 53.8436 -97.1534 59.8398 -97.1537 -73.5332 220.453 59.8394 220.452 5.42117 GPRESSURE: 1445000 29.9547 -76.4981 36.6469 -96.4756 -65.8941 189.069 -7.17308 240.026 120.649 PRESSAVG: 1445000 54.1554 -7.90159 19.011 -7.90155 -32.2051 45.525 19.011 45.5248 -8.93719 GPRESSAVG: 1445000 54.5115 -8.69484 19.7212 -8.79102 -32.0262 45.1768 16.4162 46.8737 -9.55807 TIMING: 1445000 CPU: 4310.68, 0.00300419/step Wall: 4310.68, 0.00300419/step, 2.96664 hours remaining, 207.226562 MB of memory in use. ENERGY: 1445000 773.9180 2082.5861 1928.7797 121.9629 -206712.9030 17913.4388 0.0000 0.0000 34202.8505 -149689.3671 298.7020 -183892.2176 -149595.3164 298.1959 -4.7561 28.2364 556905.5431 4.3377 4.3091 PRESSURE: 1445200 -127.397 -79.7716 35.6796 -79.7724 302.335 216.825 35.6781 216.826 181.903 GPRESSURE: 1445200 -99.654 -13.4974 84.1056 -228.109 304.129 217.125 -0.214791 218.499 228.98 PRESSAVG: 1445200 -39.2963 -14.3282 26.0965 -14.3282 47.4746 -19.2669 26.0965 -19.267 55.998 GPRESSAVG: 1445200 -38.9933 -13.4228 22.8186 -15.4406 47.2861 -19.4193 28.7047 -18.193 55.9454 TIMING: 1445200 CPU: 4311.28, 0.0030133/step Wall: 4311.28, 0.0030133/step, 2.97546 hours remaining, 207.226562 MB of memory in use. ENERGY: 1445200 760.6534 2158.1691 1922.5447 116.7343 -206917.3788 18154.4622 0.0000 0.0000 34150.7032 -149654.1118 298.2466 -183804.8150 -149554.8439 298.4168 118.9470 144.4853 556996.4858 21.3921 21.4127 PRESSURE: 1445400 187.316 78.5812 197.379 78.5812 101.094 -70.1942 197.379 -70.1959 377.828 GPRESSURE: 1445400 230.777 76.1636 185.697 105.658 122.61 32.9833 103.658 -112.795 400.185 PRESSAVG: 1445400 2.2015 -22.5912 80.9775 -22.5913 43.4714 13.9852 80.9773 13.9853 -16.9476 GPRESSAVG: 1445400 3.04428 -24.0948 82.0261 -20.8512 42.7649 12.348 80.9931 12.6483 -16.5382 TIMING: 1445400 CPU: 4311.88, 0.00300119/step Wall: 4311.88, 0.00300119/step, 2.96335 hours remaining, 207.226562 MB of memory in use. ENERGY: 1445400 746.4509 2084.9279 1967.5684 116.4859 -206681.9760 18122.5421 0.0000 0.0000 33956.9297 -149687.0711 296.5543 -183644.0008 -149590.5559 297.9253 222.0791 251.1907 555968.3261 9.5751 9.7570 PRESSURE: 1445600 -98.9745 142.816 -131.449 142.815 250.947 -3.90064 -131.449 -3.90228 117.736 GPRESSURE: 1445600 -79.9052 171.617 -204.497 36.3352 332.779 5.96138 -100.518 -45.3231 116.172 PRESSAVG: 1445600 -64.3076 -23.1748 39.0926 -23.1748 56.1088 -6.86807 39.0926 -6.86816 35.4991 GPRESSAVG: 1445600 -64.3958 -21.7159 37.4068 -25.6877 56.2142 -6.7373 38.1456 -7.15267 35.0374 TIMING: 1445600 CPU: 4312.49, 0.00301965/step Wall: 4312.49, 0.00301965/step, 2.9814 hours remaining, 207.226562 MB of memory in use. ENERGY: 1445600 762.5999 2015.2153 1944.1002 111.9475 -206562.4714 17837.0300 0.0000 0.0000 34026.8876 -149864.6909 297.1653 -183891.5785 -149766.9977 297.5021 89.9030 123.0151 556324.1642 9.1001 8.9519 PRESSURE: 1445800 59.8457 -222.095 -131.099 -222.096 -8.91131 31.8946 -131.099 31.8937 -221.908 GPRESSURE: 1445800 130.37 -254.51 -79.1424 -245.981 -10.3179 18.7608 -94.3084 -38.5365 -199.092 PRESSAVG: 1445800 -44.5621 -22.3593 -50.8972 -22.3593 29.0221 26.9505 -50.8972 26.9504 4.95025 GPRESSAVG: 1445800 -43.9776 -21.5341 -51.2544 -19.5723 29.1128 27.5023 -49.0581 25.7938 5.09711 TIMING: 1445800 CPU: 4313.09, 0.00300112/step Wall: 4313.09, 0.00300112/step, 2.96294 hours remaining, 207.226562 MB of memory in use. ENERGY: 1445800 715.6855 2141.7849 1955.3657 112.8943 -206519.0116 17791.0392 0.0000 0.0000 33962.7391 -149839.5030 296.6050 -183802.2421 -149740.3667 297.9832 -56.9914 -26.3467 556512.7245 -3.5299 -3.2559 PRESSURE: 1446000 95.8335 199.028 -74.1909 199.029 -196.807 94.1579 -74.19 94.1583 -61.3034 GPRESSURE: 1446000 143.731 192.458 -31.1377 144.436 -102.809 39.9637 -132.688 113.286 -100.022 PRESSAVG: 1446000 26.1427 -0.384694 -54.4348 -0.384696 -16.7159 19.0707 -54.4347 19.0706 10.19 GPRESSAVG: 1446000 26.4678 -0.789557 -52.9085 -2.40882 -15.6102 17.5123 -56.6687 21.2294 8.95424 TIMING: 1446000 CPU: 4313.68, 0.00298395/step Wall: 4313.68, 0.00298395/step, 2.94582 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1446000 756.1307 2083.8069 1942.8770 121.3687 -206939.0636 18045.4167 0.0000 0.0000 34236.9083 -149752.5554 298.9994 -183989.4637 -149652.7116 297.8906 -54.0923 -19.7002 556650.5741 6.5389 6.6039 PRESSURE: 1446200 325.787 66.9832 -30.4891 66.9848 -50.002 -9.61583 -30.489 -9.61731 49.43 GPRESSURE: 1446200 324.003 20.1494 -77.759 97.6166 -11.8111 53.2124 12.5037 -86.3177 96.7763 PRESSAVG: 1446200 38.1433 1.2171 49.9091 1.21712 14.5644 -37.0906 49.9091 -37.0907 -39.9107 GPRESSAVG: 1446200 38.4047 -1.36627 50.2382 1.71349 13.5532 -35.4712 50.7115 -38.8108 -39.2022 TIMING: 1446200 CPU: 4314.3, 0.00305532/step Wall: 4314.3, 0.00305532/step, 3.01611 hours remaining, 207.226562 MB of memory in use. ENERGY: 1446200 746.2252 2118.2103 1955.4000 104.6505 -206918.6369 18210.8451 0.0000 0.0000 34179.3329 -149603.9730 298.4966 -183783.3059 -149514.4268 298.4849 108.4050 136.3228 556419.2017 4.2657 4.2519 PRESSURE: 1446400 -35.7986 10.997 -101.881 10.9967 29.5944 -78.5196 -101.88 -78.5182 125.629 GPRESSURE: 1446400 7.08611 -22.2438 -167.358 -27.1224 61.8639 -52.8952 -98.894 -30.445 159.142 PRESSAVG: 1446400 -5.47643 -60.4825 22.0909 -60.4824 -5.85511 -50.0238 22.0909 -50.0237 -7.99945 GPRESSAVG: 1446400 -5.6924 -59.757 20.7244 -60.0516 -6.08876 -50.2353 23.194 -48.5996 -7.62201 TIMING: 1446400 CPU: 4314.89, 0.00299495/step Wall: 4314.89, 0.00299495/step, 2.95635 hours remaining, 207.226562 MB of memory in use. ENERGY: 1446400 711.2478 2071.7557 1930.5961 122.6709 -206392.8015 17840.6136 0.0000 0.0000 34016.1500 -149699.7674 297.0715 -183715.9174 -149607.8980 298.2378 39.8083 76.0306 557361.2281 -6.4437 -6.4677 PRESSURE: 1446600 -195.266 47.3808 -96.6047 47.38 -360.102 -67.7201 -96.6045 -67.7203 -174.483 GPRESSURE: 1446600 -189.546 54.5792 -125.437 68.4972 -310.166 -46.2434 -107.789 -48.7629 -124.884 PRESSAVG: 1446600 -72.6442 59.403 32.2808 59.403 8.88585 11.778 32.2808 11.778 49.3132 GPRESSAVG: 1446600 -72.5141 60.8601 36.1536 61.4363 8.72927 13.1549 28.9698 10.6481 49.5063 TIMING: 1446600 CPU: 4315.5, 0.00303841/step Wall: 4315.5, 0.00303841/step, 2.99908 hours remaining, 207.226562 MB of memory in use. ENERGY: 1446600 771.7447 2056.3258 1914.8337 116.3363 -206267.9232 17634.6066 0.0000 0.0000 34113.9486 -149660.1276 297.9256 -183774.0762 -149566.0766 298.4097 -243.2835 -208.1986 557059.8290 -4.8151 -4.7595 PRESSURE: 1446800 -39.995 -186.259 -153.977 -186.26 -297.586 54.8354 -153.977 54.8358 51.5028 GPRESSURE: 1446800 -10.4684 -136.239 -111.91 -66.5332 -276.913 62.2971 -108.551 78.0407 93.5549 PRESSAVG: 1446800 45.9918 11.8774 -36.0092 11.8774 16.4968 10.5789 -36.0092 10.579 -9.50138 GPRESSAVG: 1446800 44.4804 11.8774 -39.9238 10.2908 18.242 10.8884 -32.672 10.3865 -9.67318 TIMING: 1446800 CPU: 4316.11, 0.00303592/step Wall: 4316.11, 0.00303592/step, 2.99645 hours remaining, 207.226562 MB of memory in use. ENERGY: 1446800 742.5568 2089.8197 1910.9898 116.2314 -206773.4593 17835.9647 0.0000 0.0000 34239.5820 -149838.3148 299.0228 -184077.8969 -149742.3106 298.6166 -95.3592 -64.6089 556210.8602 17.6624 17.6831 PRESSURE: 1447000 -272.159 -108.763 -7.30937 -108.762 150.104 63.4347 -7.30896 63.434 -54.8157 GPRESSURE: 1447000 -249.085 -52.6755 47.8278 -84.1512 176.999 11.2346 -28.4713 57.0347 -19.2408 PRESSAVG: 1447000 -22.846 19.2363 5.9809 19.2362 -51.257 -25.994 5.98107 -25.9941 48.2982 GPRESSAVG: 1447000 -21.9047 19.5917 5.65441 19.0219 -51.9762 -27.5199 6.27258 -27.0563 47.6044 TIMING: 1447000 CPU: 4316.71, 0.00301047/step Wall: 4316.71, 0.00301047/step, 2.97117 hours remaining, 207.226562 MB of memory in use. ENERGY: 1447000 770.4157 2066.8757 1937.4857 111.7589 -206086.9179 17559.3669 0.0000 0.0000 33961.6448 -149679.3702 296.5955 -183641.0150 -149584.6472 298.1003 -58.9569 -30.4425 556617.5393 -8.6016 -8.7588 PRESSURE: 1447200 0.120711 -167.614 -28.3611 -167.613 -124.9 -105.997 -28.3604 -105.997 72.4184 GPRESSURE: 1447200 -37.5057 -179.163 -22.5675 -205.494 -38.2368 -153.156 -42.4731 23.2488 125.627 PRESSAVG: 1447200 21.0046 -21.9476 4.04084 -21.9476 21.5534 25.6761 4.04073 25.676 -83.568 GPRESSAVG: 1447200 21.7514 -24.6781 6.1275 -19.6663 20.4326 25.3216 3.24144 27.0648 -82.8414 TIMING: 1447200 CPU: 4317.31, 0.00300662/step Wall: 4317.31, 0.00300662/step, 2.9672 hours remaining, 207.226562 MB of memory in use. ENERGY: 1447200 740.8542 2098.9420 1905.7450 105.1777 -206607.3387 18006.2402 0.0000 0.0000 34074.6802 -149675.6996 297.5827 -183750.3798 -149584.5730 298.1968 -17.4537 16.6280 557208.3703 -13.6700 -13.5525 PRESSURE: 1447400 10.1598 -70.4496 -150.153 -70.4467 -15.8466 160.764 -150.153 160.763 -52.5842 GPRESSURE: 1447400 42.4005 -17.763 -64.0218 -69.5099 3.1173 175.915 -112.994 186.444 -7.42601 PRESSAVG: 1447400 48.4985 -42.9218 -3.03022 -42.9218 -16.388 37.2836 -3.03027 37.2835 -19.9734 GPRESSAVG: 1447400 47.8151 -42.2011 -4.44021 -44.6768 -16.2556 37.0678 -4.51491 38.9151 -20.5735 TIMING: 1447400 CPU: 4317.92, 0.00303633/step Wall: 4317.92, 0.00303633/step, 2.99636 hours remaining, 207.226562 MB of memory in use. ENERGY: 1447400 747.7240 2052.0341 1944.1403 107.2251 -206526.3888 17963.2885 0.0000 0.0000 34007.2964 -149704.6803 296.9942 -183711.9767 -149610.9212 298.4051 -19.4237 12.6973 557086.4505 4.0457 3.6620 PRESSURE: 1447600 -72.8741 -43.6853 31.2586 -43.6842 -211.349 -99.0915 31.2591 -99.0916 -1.1373 GPRESSURE: 1447600 -110.723 -83.3511 53.3014 -44.2271 -192.766 -106.757 17.858 -118.197 117.079 PRESSAVG: 1447600 0.313364 4.02878 -46.1648 4.02881 -28.0263 -27.5699 -46.1647 -27.5698 38.094 GPRESSAVG: 1447600 0.327261 5.70691 -45.9209 3.25854 -27.4493 -27.1709 -46.2432 -30.1722 37.7164 TIMING: 1447600 CPU: 4318.52, 0.00299109/step Wall: 4318.52, 0.00299109/step, 2.95154 hours remaining, 207.226562 MB of memory in use. ENERGY: 1447600 764.7174 2074.8559 1930.1665 111.8314 -206338.9330 17865.0437 0.0000 0.0000 33974.1370 -149618.1813 296.7046 -183592.3183 -149519.7439 298.6973 -95.1202 -62.1365 557350.9635 3.4604 3.5314 PRESSURE: 1447800 124.608 15.0902 -8.0593 15.0918 -60.0658 70.4284 -8.05957 70.4278 -125.279 GPRESSURE: 1447800 120.647 19.5696 -7.9282 49.5478 -21.9573 55.7646 59.3811 119.31 -60.0406 PRESSAVG: 1447800 -2.02526 -33.4763 39.4927 -33.4763 -14.4283 -14.7798 39.4927 -14.7798 -46.5772 GPRESSAVG: 1447800 -2.50202 -36.0272 41.3439 -33.0306 -14.7962 -14.6253 40.4792 -13.2879 -46.1982 TIMING: 1447800 CPU: 4319.11, 0.00296955/step Wall: 4319.11, 0.00296955/step, 2.93012 hours remaining, 207.226562 MB of memory in use. ENERGY: 1447800 723.8090 2084.7938 1944.9016 96.7857 -206683.0409 17948.0314 0.0000 0.0000 34243.1262 -149641.5932 299.0537 -183884.7194 -149532.8351 298.1733 -20.2456 12.8832 557494.1960 -21.0103 -21.1655 PRESSURE: 1448000 69.8248 -78.0271 94.1945 -78.027 11.4177 -79.1833 94.1943 -79.1846 65.1198 GPRESSURE: 1448000 92.0852 -139.442 101.138 13.7 25.0293 -23.9394 73.8925 -62.9722 125.268 PRESSAVG: 1448000 12.5077 -13.9941 12.3211 -13.9941 37.7961 12.3819 12.321 12.3818 -20.3082 GPRESSAVG: 1448000 10.9619 -12.4877 11.4364 -14.1484 38.9023 14.7694 12.6866 11.8341 -20.1423 TIMING: 1448000 CPU: 4319.71, 0.00299292/step Wall: 4319.71, 0.00299292/step, 2.95301 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1448000 751.7534 2166.3887 1905.7078 118.5851 -206767.3069 18117.9567 0.0000 0.0000 34119.2907 -149587.6245 297.9723 -183706.9152 -149492.7355 298.4292 48.7874 80.7942 557928.2398 9.9985 9.9073 PRESSURE: 1448200 -253.195 178.109 -84.8679 178.109 56.2378 -36.9448 -84.8675 -36.9432 -203.19 GPRESSURE: 1448200 -189.944 136.108 -9.50161 175.443 10.0117 -41.2744 -94.0522 36.5587 -120.898 PRESSAVG: 1448200 49.3492 23.1699 -51.7528 23.1699 -34.3005 29.1974 -51.7529 29.1975 -3.3884 GPRESSAVG: 1448200 50.5083 24.8202 -51.7432 21.7253 -34.9047 26.4524 -54.1085 29.4508 -4.08124 TIMING: 1448200 CPU: 4320.31, 0.0029905/step Wall: 4320.31, 0.0029905/step, 2.95046 hours remaining, 207.226562 MB of memory in use. ENERGY: 1448200 752.4400 2036.5033 1923.5632 112.2559 -206326.3527 17586.6137 0.0000 0.0000 34275.6690 -149639.3076 299.3379 -183914.9766 -149541.3739 298.1116 -133.3824 -100.2770 558303.9070 3.8867 3.8408 LDB: ============= START OF LOAD BALANCING ============== 4323.86 LDB: ============== END OF LOAD BALANCING =============== 4323.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4323.86 LDB: ============= START OF LOAD BALANCING ============== 4324.16 LDB: Largest compute 4773 load 0.025033 is 21.2% of average load 0.118204 LDB: Average compute 0.001727 is 1.5% of average load 0.118204 LDB: TIME 4324.17 LOAD: AVG 0.118204 MAX 0.215626 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 4324.17 LOAD: AVG 0.118204 MAX 0.215626 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.434 MB LDB: TIME 4324.17 LOAD: AVG 0.118204 MAX 0.215626 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.434 MB LDB: ============== END OF LOAD BALANCING =============== 4324.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4324.17 PRESSURE: 1448400 -5.3746 -4.0379 14.2031 -4.04001 -91.335 -97.2516 14.2051 -97.2514 -46.9461 GPRESSURE: 1448400 7.75061 -82.2933 42.7679 104.337 -27.1729 -123.092 91.7982 -97.1512 -30.9698 PRESSAVG: 1448400 31.949 52.3545 42.3457 52.3545 -29.4068 -10.9888 42.3458 -10.989 -23.1514 GPRESSAVG: 1448400 32.6751 51.29 41.2335 53.8052 -29.4393 -11.4623 44.5475 -9.86876 -24.1693 TIMING: 1448400 CPU: 4320.92, 0.00306968/step Wall: 4320.92, 0.00306968/step, 3.02841 hours remaining, 207.929688 MB of memory in use. ENERGY: 1448400 781.9952 2107.5368 1913.0137 109.6947 -206580.7301 17910.2038 0.0000 0.0000 34263.5017 -149494.7841 299.2317 -183758.2859 -149399.8036 298.1603 -47.8853 -16.7974 557574.2420 -6.8697 -6.9778 PRESSURE: 1448600 -69.0612 47.4347 -92.3871 47.434 209.335 -184.93 -92.3866 -184.931 -62.0964 GPRESSURE: 1448600 -50.3855 -70.7217 -232.786 105.916 284.033 -228.777 -92.8724 -206.757 -59.4317 PRESSAVG: 1448600 -39.4591 41.8751 -63.2642 41.875 6.72945 -41.9396 -63.2641 -41.9396 12.8802 GPRESSAVG: 1448600 -40.7322 42.0357 -63.1569 41.9505 6.9889 -41.0901 -64.2836 -40.9665 14.4104 TIMING: 1448600 CPU: 4321.53, 0.00302474/step Wall: 4321.53, 0.00302474/step, 2.9839 hours remaining, 208.128906 MB of memory in use. ENERGY: 1448600 725.5997 2082.1470 1935.5026 107.3406 -206082.9013 17666.2739 0.0000 0.0000 34108.7157 -149457.3218 297.8799 -183566.0375 -149360.4537 298.8750 26.0591 58.0718 556833.8677 -6.6165 -6.4443 PRESSURE: 1448800 -111.271 110.432 -124.1 110.432 200.823 131.18 -124.099 131.18 185.922 GPRESSURE: 1448800 -40.1169 237.24 -69.9305 81.4977 230.149 64.04 -113.78 109.825 184.539 PRESSAVG: 1448800 -30.0132 5.39496 -71.1359 5.39498 37.5708 -4.58939 -71.136 -4.58939 18.2628 GPRESSAVG: 1448800 -29.2948 4.27557 -71.0561 4.71251 37.9472 -3.011 -70.1274 -6.80281 17.0725 TIMING: 1448800 CPU: 4322.14, 0.00304757/step Wall: 4322.14, 0.00304757/step, 3.00626 hours remaining, 208.128906 MB of memory in use. ENERGY: 1448800 737.1908 2068.5827 1940.0315 114.8876 -206566.7222 17908.8540 0.0000 0.0000 34496.7069 -149300.4688 301.2683 -183797.1757 -149200.2936 298.7536 91.8248 124.8572 556783.0745 8.6068 8.5750 PRESSURE: 1449000 -343.731 2.68309 141.012 2.68334 -26.545 163.794 141.012 163.792 164.443 GPRESSURE: 1449000 -310.954 -57.0057 198.813 37.8914 9.37221 214.648 101.102 221.401 206.009 PRESSAVG: 1449000 -106.811 8.49805 5.22876 8.49803 76.4557 8.23658 5.22879 8.23661 46.1252 GPRESSAVG: 1449000 -107.616 8.17919 5.46477 10.2426 76.3391 7.56104 5.85335 9.33545 46.6665 TIMING: 1449000 CPU: 4322.75, 0.00303999/step Wall: 4322.75, 0.00303999/step, 2.99861 hours remaining, 208.128906 MB of memory in use. ENERGY: 1449000 781.2077 2066.8321 1947.4681 108.7405 -205714.8957 17622.6209 0.0000 0.0000 33912.3807 -149275.6457 296.1653 -183188.0264 -149185.3056 299.0386 -68.6107 -31.8576 556934.4783 5.2566 5.1299 PRESSURE: 1449200 107.508 -92.6229 -154.532 -92.6222 -63.4556 46.0022 -154.532 46.0004 -43.5344 GPRESSURE: 1449200 141.048 -67.7198 -144.042 -113.829 -48.9362 17.1425 -235.521 80.7441 5.24914 PRESSAVG: 1449200 21.7503 -18.7343 28.4254 -18.7341 -65.3531 -12.7304 28.4254 -12.7304 37.5919 GPRESSAVG: 1449200 22.5102 -15.8598 29.246 -20.5759 -65.2853 -11.0477 26.2351 -14.7223 37.0582 TIMING: 1449200 CPU: 4323.36, 0.00305559/step Wall: 4323.36, 0.00305559/step, 3.01383 hours remaining, 208.128906 MB of memory in use. ENERGY: 1449200 769.6103 2104.9732 1947.5119 118.3369 -206551.2956 18001.8128 0.0000 0.0000 34361.8654 -149247.1851 300.0907 -183609.0506 -149150.3646 299.6712 0.1727 32.4537 558356.6589 -2.0036 -1.9057 PRESSURE: 1449400 -172.522 79.9201 178.884 79.921 -419.521 130.139 178.886 130.139 74.2034 GPRESSURE: 1449400 -88.8603 13.0569 128.318 98.632 -374.87 122.549 131.555 136.497 33.4073 PRESSAVG: 1449400 -20.5723 23.9926 -22.9776 23.9927 -15.6001 28.0119 -22.9776 28.0118 43.3056 GPRESSAVG: 1449400 -20.5099 21.2488 -22.1596 26.499 -15.8506 26.6108 -22.9166 28.9773 43.1624 TIMING: 1449400 CPU: 4323.96, 0.00301403/step Wall: 4323.96, 0.00301403/step, 2.97267 hours remaining, 208.128906 MB of memory in use. ENERGY: 1449400 734.7510 2106.1554 1962.3822 110.1858 -206148.5240 17575.8233 0.0000 0.0000 34270.9335 -149388.2928 299.2966 -183659.2263 -149295.9414 299.3244 -172.6132 -143.4411 556380.3403 2.3777 2.2673 PRESSURE: 1449600 6.82707 -49.5419 -170.693 -49.5416 -134.384 -124.293 -170.692 -124.294 46.8847 GPRESSURE: 1449600 8.61762 2.03295 -132.903 -57.1314 -90.1947 -133.089 -162.777 -136.645 96.6113 PRESSAVG: 1449600 -44.6364 -20.2166 35.3986 -20.2166 -34.7823 36.6312 35.3986 36.6312 39.8291 GPRESSAVG: 1449600 -44.8929 -19.6502 34.4689 -20.9771 -35.1074 35.6766 36.5741 39.1608 40.2609 TIMING: 1449600 CPU: 4324.56, 0.00301191/step Wall: 4324.56, 0.00301191/step, 2.97042 hours remaining, 208.128906 MB of memory in use. ENERGY: 1449600 739.0902 2143.0930 1924.6482 116.5455 -206036.6869 17673.7383 0.0000 0.0000 34185.9159 -149253.6558 298.5541 -183439.5717 -149150.6744 299.0188 -26.8909 5.0114 556636.9143 -13.1965 -13.2465 PRESSURE: 1449800 -351.671 8.53272 -17.2341 8.5306 1.60302 -94.3747 -17.2347 -94.3744 -326.384 GPRESSURE: 1449800 -283.513 -49.5289 27.5444 74.2952 17.7526 -97.5075 -18.917 -104.569 -312.917 PRESSAVG: 1449800 -28.2373 1.86895 -22.6478 1.86892 -0.717155 12.3774 -22.6479 12.3774 53.4204 GPRESSAVG: 1449800 -27.4041 1.91887 -22.4011 0.0146874 -0.472572 12.314 -22.7745 9.9994 52.3826 TIMING: 1449800 CPU: 4325.17, 0.00303359/step Wall: 4325.17, 0.00303359/step, 2.99162 hours remaining, 208.128906 MB of memory in use. ENERGY: 1449800 731.0477 2169.3534 1921.2410 120.7105 -206215.6422 17652.3371 0.0000 0.0000 34286.4669 -149334.4857 299.4322 -183620.9525 -149231.5511 299.1824 -225.4841 -192.8927 556373.4963 8.1553 8.1686 PRESSURE: 1450000 -38.9355 200.137 -128.108 200.137 -257.494 7.27709 -128.108 7.2795 -0.858567 GPRESSURE: 1450000 16.0376 199.59 -160.038 149.273 -225.828 -8.96939 -53.8496 70.2029 10.6209 PRESSAVG: 1450000 -0.805687 3.01257 -56.2144 3.01249 -37.3766 -20.5989 -56.2145 -20.599 -7.65131 GPRESSAVG: 1450000 -1.86056 5.02425 -56.4319 1.46357 -36.871 -19.5312 -56.49 -19.5506 -7.33669 TIMING: 1450000 CPU: 4325.77, 0.00300675/step Wall: 4325.77, 0.00300675/step, 2.96499 hours remaining, 208.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1450000 766.8988 2026.1431 1921.1663 106.8490 -206073.0451 17644.4334 0.0000 0.0000 34188.4549 -149419.0996 298.5763 -183607.5545 -149322.1115 299.0259 -99.0959 -66.3900 556093.4797 -15.2779 -15.3561 PRESSURE: 1450200 37.514 -26.5008 -24.2813 -26.5006 250.902 182.404 -24.2822 182.403 -132.683 GPRESSURE: 1450200 60.9198 -40.116 31.6185 -20.915 321.246 224.305 15.357 164.108 -142.079 PRESSAVG: 1450200 -9.8186 12.9374 -36.1658 12.9374 93.734 2.72306 -36.1659 2.72305 15.9013 GPRESSAVG: 1450200 -9.93597 13.7416 -35.8784 14.5482 94.1263 2.4479 -35.0088 1.37584 15.6483 TIMING: 1450200 CPU: 4326.37, 0.00300259/step Wall: 4326.37, 0.00300259/step, 2.96072 hours remaining, 208.128906 MB of memory in use. ENERGY: 1450200 722.8350 2105.7497 1939.6571 115.4725 -206283.5691 17914.4761 0.0000 0.0000 34135.4210 -149349.9578 298.1131 -183485.3787 -149255.1401 299.1676 51.9108 80.0291 556478.7840 33.2722 33.2795 PRESSURE: 1450400 77.4541 -9.0584 -211.163 -9.05808 -142.254 56.0925 -211.164 56.0921 -107.407 GPRESSURE: 1450400 79.6026 -69.4904 -205.472 -14.155 -60.7505 -19.2397 -149.047 109.579 -96.42 PRESSAVG: 1450400 0.365328 -24.2884 -1.8657 -24.2883 23.2378 54.4118 -1.86574 54.4119 1.78366 GPRESSAVG: 1450400 0.695502 -27.7423 -0.394111 -23.4095 23.4642 52.8617 -2.72186 56.5597 0.94296 TIMING: 1450400 CPU: 4326.97, 0.00302145/step Wall: 4326.97, 0.00302145/step, 2.97915 hours remaining, 208.128906 MB of memory in use. ENERGY: 1450400 744.1883 2079.6447 1934.4848 122.2902 -206109.9648 17744.8000 0.0000 0.0000 34087.5511 -149397.0056 297.6951 -183484.5567 -149299.5621 298.6479 -57.4021 -25.8560 557978.7807 8.4623 8.3676 PRESSURE: 1450600 -306.212 38.2753 -151.182 38.2759 54.3185 -43.7932 -151.181 -43.7942 58.9143 GPRESSURE: 1450600 -282.036 -85.8533 -209.902 90.6329 56.5669 -87.2267 -128.106 -88.871 123.271 PRESSAVG: 1450600 93.4844 16.8423 -49.8741 16.8424 -54.348 -62.6563 -49.8741 -62.6563 -14.9284 GPRESSAVG: 1450600 92.8507 16.9689 -50.2759 17.0082 -54.537 -62.1847 -50.1613 -62.4348 -13.7852 TIMING: 1450600 CPU: 4327.57, 0.00299456/step Wall: 4327.57, 0.00299456/step, 2.95247 hours remaining, 208.128906 MB of memory in use. ENERGY: 1450600 777.1372 2030.3864 1973.7131 114.9189 -206104.1270 17596.8723 0.0000 0.0000 34339.4313 -149271.6679 299.8948 -183611.0992 -149173.5734 298.9442 -64.3264 -34.0659 556575.5052 8.0693 8.1762 PRESSURE: 1450800 -304.529 18.6338 -130.572 18.6331 -100.371 17.8265 -130.572 17.8283 103.27 GPRESSURE: 1450800 -250.99 22.8914 -124.92 -47.2392 -43.3861 23.8146 -189.859 18.119 89.2298 PRESSAVG: 1450800 -3.58044 44.1342 11.0409 44.1342 75.2265 -37.2266 11.0408 -37.2266 -45.4756 GPRESSAVG: 1450800 -3.41962 43.4599 9.23846 44.8681 75.3738 -39.0357 11.1429 -35.2894 -46.0578 TIMING: 1450800 CPU: 4328.18, 0.00301464/step Wall: 4328.18, 0.00301464/step, 2.9721 hours remaining, 208.128906 MB of memory in use. ENERGY: 1450800 745.9385 1999.1711 1950.9309 119.5875 -205917.8477 17729.7439 0.0000 0.0000 33863.7559 -149508.7200 295.7406 -183372.4760 -149415.2512 298.5850 -100.5431 -68.3822 557769.1285 8.7235 8.6321 PRESSURE: 1451000 57.5912 -82.392 -6.90966 -82.3934 62.4268 106.423 -6.91039 106.421 -66.7349 GPRESSURE: 1451000 47.8335 -78.1534 -30.9249 -154.564 126.392 102.358 -82.7393 61.229 -24.1776 PRESSAVG: 1451000 -13.8491 14.8931 -9.18635 14.8931 24.6804 -43.5739 -9.18635 -43.5739 -34.0962 GPRESSAVG: 1451000 -13.6734 17.1065 -7.77005 11.3536 24.7056 -40.1602 -10.2071 -49.1308 -34.1473 TIMING: 1451000 CPU: 4328.78, 0.00303811/step Wall: 4328.78, 0.00303811/step, 2.99507 hours remaining, 208.128906 MB of memory in use. ENERGY: 1451000 762.4620 2101.5382 1923.3392 109.7543 -206332.0075 17882.7863 0.0000 0.0000 34139.1775 -149412.9501 298.1459 -183552.1276 -149320.5635 298.5698 17.7610 50.0158 557871.5616 -7.7550 -7.7050 PRESSURE: 1451200 110.226 -46.4932 71.1027 -46.4931 -52.4698 -124.054 71.1029 -124.054 41.4571 GPRESSURE: 1451200 124.783 -5.93733 117.886 42.2445 62.7569 -124.806 72.3056 -153.707 17.0389 PRESSAVG: 1451200 -19.8384 21.1318 5.41786 21.1318 74.3454 4.56215 5.41797 4.56187 9.12626 GPRESSAVG: 1451200 -20.4474 18.1346 4.01234 24.6269 74.0179 3.50376 7.62243 7.61616 10.086 TIMING: 1451200 CPU: 4329.38, 0.00300087/step Wall: 4329.38, 0.00300087/step, 2.95819 hours remaining, 208.128906 MB of memory in use. ENERGY: 1451200 752.1915 2093.7880 1935.5884 111.1513 -206339.9804 17844.0706 0.0000 0.0000 34088.2097 -149514.9809 297.7008 -183603.1906 -149421.1500 298.7969 33.0709 68.1931 557938.5912 21.2111 21.2188 PRESSURE: 1451400 68.9237 57.9455 -39.8609 57.9453 23.8907 -30.8618 -39.8608 -30.8607 -167.188 GPRESSURE: 1451400 93.4114 105.117 -94.5742 -8.62555 16.2357 -17.8117 75.138 -2.19969 -94.732 PRESSAVG: 1451400 -62.1939 -35.1341 -19.0572 -35.1341 9.34103 5.58436 -19.0572 5.58431 5.9903 GPRESSAVG: 1451400 -62.0651 -33.7737 -18.193 -34.2773 10.0627 5.0995 -17.9437 6.12794 5.43565 TIMING: 1451400 CPU: 4329.99, 0.00300772/step Wall: 4329.99, 0.00300772/step, 2.96478 hours remaining, 208.128906 MB of memory in use. ENERGY: 1451400 755.4715 2072.5631 1900.4646 122.4903 -206453.9908 17937.7302 0.0000 0.0000 34238.5645 -149426.7066 299.0139 -183665.2711 -149330.3899 298.8382 -24.7911 4.9717 559039.2305 -15.6209 -15.5223 PRESSURE: 1451600 -220.954 -75.0023 -48.9041 -75.0014 5.12029 -67.1503 -48.9035 -67.1486 -105.225 GPRESSURE: 1451600 -136.397 6.28062 -29.9671 -118.423 13.2924 -109.874 -63.9632 -96.7415 -82.0479 PRESSAVG: 1451600 -8.56593 -40.6222 -15.2091 -40.6222 -29.2279 22.0444 -15.209 22.0445 36.407 GPRESSAVG: 1451600 -6.8833 -40.2878 -15.8546 -43.4085 -29.8561 23.4457 -17.7629 19.6064 36.0487 TIMING: 1451600 CPU: 4330.59, 0.00299863/step Wall: 4330.59, 0.00299863/step, 2.95565 hours remaining, 208.128906 MB of memory in use. ENERGY: 1451600 754.6978 2130.3354 1920.6989 108.1359 -206329.4667 17874.7503 0.0000 0.0000 34139.2094 -149401.6390 298.1462 -183540.8484 -149306.2529 298.6671 -107.0195 -68.3842 558621.8666 -0.4623 -0.2302 PRESSURE: 1451800 -34.618 42.6646 -49.3725 42.6655 -138.63 57.0387 -49.3718 57.0391 -70.9456 GPRESSURE: 1451800 -14.5326 34.7238 -98.8268 37.9445 -124.986 90.4183 1.73977 5.766 -13.5912 PRESSAVG: 1451800 15.2208 -60.3384 -26.2097 -60.3383 18.4209 -36.2524 -26.2096 -36.2525 -45.0036 GPRESSAVG: 1451800 14.5198 -59.7193 -25.4077 -59.4581 18.299 -36.4488 -24.6596 -35.5579 -44.3336 TIMING: 1451800 CPU: 4331.19, 0.00299753/step Wall: 4331.19, 0.00299753/step, 2.9544 hours remaining, 208.128906 MB of memory in use. ENERGY: 1451800 750.0637 2081.8379 1937.1236 99.8074 -206032.0230 17634.0441 0.0000 0.0000 34112.1654 -149416.9809 297.9100 -183529.1462 -149321.1650 298.7011 -81.3977 -51.0365 557714.6475 -3.7873 -3.8383 PRESSURE: 1452000 -221.278 146.79 200.857 146.79 -168.41 34.1546 200.856 34.1555 43.6219 GPRESSURE: 1452000 -140.255 47.8873 198.243 140.275 -122.625 26.5848 186.454 -10.1631 20.1887 PRESSAVG: 1452000 -30.8492 11.2867 17.0876 11.2867 -51.8863 -46.2331 17.0875 -46.2332 65.5567 GPRESSAVG: 1452000 -31.9105 12.702 17.8634 10.2162 -50.3971 -47.0004 14.7165 -45.2957 64.6543 TIMING: 1452000 CPU: 4331.78, 0.00297627/step Wall: 4331.78, 0.00297626/step, 2.93327 hours remaining, 208.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1452000 779.7074 2088.0902 1933.7346 112.8135 -206411.3624 17874.0480 0.0000 0.0000 34116.4284 -149506.5403 297.9473 -183622.9687 -149412.2877 299.1876 -115.3551 -80.8971 556746.4498 -5.7263 -5.8845 PRESSURE: 1452200 12.2237 190.174 121.837 190.174 -3.10987 31.2197 121.838 31.2181 41.7555 GPRESSURE: 1452200 46.0012 42.827 92.7089 225.121 67.4738 -8.9035 160.694 79.4549 34.7913 PRESSAVG: 1452200 35.5696 5.08452 7.50266 5.0845 13.136 -56.7947 7.50259 -56.7947 -10.1563 GPRESSAVG: 1452200 35.9024 3.83096 5.75769 5.32726 12.3656 -56.2572 8.52893 -58.0866 -9.06457 TIMING: 1452200 CPU: 4332.38, 0.00298925/step Wall: 4332.38, 0.00298925/step, 2.94591 hours remaining, 208.128906 MB of memory in use. ENERGY: 1452200 709.6526 2029.0413 1916.0611 110.0023 -206229.9592 17861.0538 0.0000 0.0000 34150.9416 -149453.2064 298.2487 -183604.1480 -149349.8350 298.4123 16.9565 49.4221 556986.7893 12.8498 13.0678 LDB: ============= START OF LOAD BALANCING ============== 4335.93 LDB: ============== END OF LOAD BALANCING =============== 4335.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4335.93 LDB: ============= START OF LOAD BALANCING ============== 4336.24 LDB: Largest compute 4773 load 0.025750 is 21.8% of average load 0.118110 LDB: Average compute 0.001728 is 1.5% of average load 0.118110 LDB: TIME 4336.24 LOAD: AVG 0.11811 MAX 0.21544 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 4336.24 LOAD: AVG 0.11811 MAX 0.21544 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.691 MB LDB: TIME 4336.24 LOAD: AVG 0.11811 MAX 0.21544 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.691 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4336.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4336.24 PRESSURE: 1452400 -138.871 -181.674 -21.8088 -181.674 -122.629 19.2039 -21.8077 19.2055 -55.4979 GPRESSURE: 1452400 -80.6316 -60.6593 -77.8284 -183.486 -57.1304 -27.5085 -120.198 25.1152 -84.5592 PRESSAVG: 1452400 -16.5028 -30.0771 -1.61015 -30.077 46.2516 -45.9692 -1.61017 -45.9691 -37.0745 GPRESSAVG: 1452400 -15.3473 -30.7858 -0.92092 -29.782 44.7894 -46.5468 -1.67643 -45.8824 -37.2942 TIMING: 1452400 CPU: 4332.99, 0.00308024/step Wall: 4332.99, 0.00308023/step, 3.0354 hours remaining, 206.136719 MB of memory in use. ENERGY: 1452400 752.1828 2059.6305 1959.8106 110.2739 -206123.3808 17615.2379 0.0000 0.0000 34240.0877 -149386.1574 299.0272 -183626.2451 -149287.7463 298.5866 -105.6661 -74.1071 557171.2524 -2.4419 -2.6174 PRESSURE: 1452600 -92.5767 2.13225 48.4016 2.13392 14.5466 52.6881 48.4013 52.6885 95.0664 GPRESSURE: 1452600 -35.1864 -52.2368 33.7017 107.805 54.3568 140.373 18.3861 -13.2543 95.0039 PRESSAVG: 1452600 20.1124 36.3493 -13.4797 36.3494 94.764 -24.2506 -13.4797 -24.2506 -97.1005 GPRESSAVG: 1452600 20.5879 34.6048 -15.8699 39.6859 96.9133 -22.3 -13.2229 -23.4042 -98.9955 TIMING: 1452600 CPU: 4333.6, 0.00300859/step Wall: 4333.6, 0.0030086/step, 2.96464 hours remaining, 206.136719 MB of memory in use. ENERGY: 1452600 759.5375 2037.9415 1930.6120 107.1175 -206507.7386 18001.7287 0.0000 0.0000 34052.4974 -149618.3040 297.3889 -183670.8014 -149512.4163 298.2091 5.6787 38.0581 556853.9064 5.9253 6.1686 PRESSURE: 1452800 -170.551 26.6527 49.8494 26.6528 -247.764 -136.095 49.8483 -136.094 -119.368 GPRESSURE: 1452800 -196.38 -2.85339 -8.68674 24.3561 -189.98 -170.056 -26.1543 -88.8716 -56.3972 PRESSAVG: 1452800 -1.54026 -16.4016 -29.3886 -16.4016 6.24358 -13.5079 -29.3887 -13.5078 -48.5816 GPRESSAVG: 1452800 -2.77357 -15.2258 -26.244 -19.268 5.81039 -15.7693 -31.3805 -14.1494 -46.6718 TIMING: 1452800 CPU: 4334.2, 0.00300024/step Wall: 4334.2, 0.00300024/step, 2.95624 hours remaining, 206.203125 MB of memory in use. ENERGY: 1452800 716.8132 2046.4607 1937.0979 110.1620 -205938.1570 17716.4926 0.0000 0.0000 33981.9352 -149429.1952 296.7727 -183411.1304 -149335.2704 298.0579 -179.2274 -147.5857 560247.2890 -14.6261 -14.5450 PRESSURE: 1453000 -181.36 57.0034 170.503 57.0035 49.4415 -54.4837 170.503 -54.4847 -243.476 GPRESSURE: 1453000 -99.7268 117.625 122.445 -32.2169 101.45 23.3282 236.025 -86.8372 -275.557 PRESSAVG: 1453000 14.0779 -7.51584 28.8079 -7.5159 -5.26466 30.7395 28.8078 30.7397 5.83071 GPRESSAVG: 1453000 14.866 -7.08147 27.1948 -6.37469 -5.87408 33.0855 30.8334 28.7081 5.38121 TIMING: 1453000 CPU: 4334.8, 0.00302931/step Wall: 4334.8, 0.00302931/step, 2.98471 hours remaining, 206.203125 MB of memory in use. ENERGY: 1453000 713.6176 2076.2420 1935.6337 115.9821 -206415.5141 17824.7774 0.0000 0.0000 34218.0784 -149531.1828 298.8350 -183749.2612 -149428.8922 298.2705 -125.1315 -91.2779 558615.6782 4.8813 4.7910 PRESSURE: 1453200 81.1631 -82.3588 6.6594 -82.3577 4.75327 -61.8573 6.66051 -61.8589 -69.6361 GPRESSURE: 1453200 128.487 -100.163 -16.6656 -78.2506 92.6141 -77.3719 -28.5254 -50.213 -97.0025 PRESSAVG: 1453200 16.8026 31.3091 -40.9879 31.3092 1.77281 -16.6658 -40.9879 -16.6658 -50.5451 GPRESSAVG: 1453200 17.5603 29.8778 -41.4376 30.992 1.53336 -17.7766 -41.2506 -15.2917 -50.6972 TIMING: 1453200 CPU: 4335.4, 0.003005/step Wall: 4335.4, 0.003005/step, 2.96059 hours remaining, 206.203125 MB of memory in use. ENERGY: 1453200 726.1698 2058.8897 1942.7006 123.1236 -206372.5111 17934.3045 0.0000 0.0000 34401.4151 -149185.9078 300.4361 -183587.3229 -149092.7946 299.1493 5.4268 41.3661 557521.0201 -10.6566 -10.5345 PRESSURE: 1453400 -58.0805 -7.3522 -126.021 -7.35177 -209.703 147.054 -126.02 147.055 -105.449 GPRESSURE: 1453400 -32.4802 27.9294 -156.856 -56.2453 -131.078 37.0451 -61.1029 76.8537 -109.568 PRESSAVG: 1453400 4.94903 -13.6175 -24.6969 -13.6175 -16.3775 -7.66908 -24.6969 -7.66919 13.8931 GPRESSAVG: 1453400 4.71769 -11.2374 -25.9952 -15.0956 -15.4559 -8.88421 -24.4417 -5.86206 13.5613 TIMING: 1453400 CPU: 4336, 0.00299783/step Wall: 4336, 0.00299783/step, 2.95336 hours remaining, 206.203125 MB of memory in use. ENERGY: 1453400 763.9175 2071.0920 1933.9654 116.5750 -206276.5763 17617.7119 0.0000 0.0000 34446.4915 -149326.8230 300.8298 -183773.3145 -149226.1827 300.3926 -124.4108 -91.0420 557051.9031 0.8215 0.9410 PRESSURE: 1453600 -95.3483 -96.892 -213.224 -96.8925 88.1771 145.1 -213.221 145.099 -166.387 GPRESSURE: 1453600 -34.5278 -110.268 -214.341 -122.255 66.2531 42.146 -237.261 126.771 -97.6454 PRESSAVG: 1453600 31.8642 -23.2272 -10.867 -23.2272 -48.3791 -33.4967 -10.867 -33.4968 24.1585 GPRESSAVG: 1453600 30.6389 -25.3062 -9.61986 -20.5421 -47.14 -32.6003 -11.2166 -33.5502 24.7418 TIMING: 1453600 CPU: 4336.6, 0.00298884/step Wall: 4336.6, 0.00298884/step, 2.94434 hours remaining, 206.203125 MB of memory in use. ENERGY: 1453600 740.5942 2086.7276 1911.7104 101.6861 -206311.0164 17751.6300 0.0000 0.0000 34368.5626 -149350.1056 300.1492 -183718.6682 -149247.9746 299.8386 -57.8529 -21.9734 557737.8023 2.5479 2.7469 PRESSURE: 1453800 37.1079 131.588 135.508 131.589 -212.896 -31.4499 135.509 -31.4506 81.9474 GPRESSURE: 1453800 77.7106 172.811 47.0764 98.9701 -142.482 0.311523 166.412 -14.8608 73.0367 PRESSAVG: 1453800 33.9685 -9.01695 -33.0206 -9.01695 -0.433333 -29.0016 -33.0205 -29.0016 30.3002 GPRESSAVG: 1453800 34.1808 -6.79612 -34.663 -12.6275 -1.37342 -28.3083 -30.7969 -29.7109 31.294 TIMING: 1453800 CPU: 4337.2, 0.0029993/step Wall: 4337.2, 0.0029993/step, 2.95448 hours remaining, 206.203125 MB of memory in use. ENERGY: 1453800 774.7195 2045.1388 1934.8677 105.4681 -206237.0063 17825.0382 0.0000 0.0000 34153.0372 -149398.7368 298.2670 -183551.7740 -149302.9569 299.3628 -31.2804 2.7551 557532.6716 21.2784 21.3671 PRESSURE: 1454000 -169.201 9.63451 -18.2452 9.63435 2.20509 -187.774 -18.2441 -187.774 68.8694 GPRESSURE: 1454000 -124.064 9.69074 -169.292 -17.1644 -9.51501 -257.554 32.8829 -106.386 137.058 PRESSAVG: 1454000 -45.1612 0.724445 -8.0008 0.724466 23.3391 -32.5125 -8.00084 -32.5125 10.9856 GPRESSAVG: 1454000 -45.466 1.50834 -6.54405 0.911572 23.0554 -32.9352 -9.11763 -33.0047 11.1163 TIMING: 1454000 CPU: 4337.8, 0.00301517/step Wall: 4337.8, 0.00301517/step, 2.96994 hours remaining, 206.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1454000 760.0740 2077.3208 1961.2256 105.3788 -206352.9612 17840.0902 0.0000 0.0000 34074.8782 -149533.9935 297.5844 -183608.8717 -149434.8237 298.1432 -32.7088 1.1596 558182.8328 -3.6122 -3.7648 PRESSURE: 1454200 -212.173 -62.9799 30.6586 -62.9802 -71.2476 -77.7097 30.6571 -77.7092 -306.108 GPRESSURE: 1454200 -180.942 -147.065 84.0087 -39.2614 -86.1005 -107.893 47.3413 -105.135 -231.371 PRESSAVG: 1454200 -10.3599 11.9514 29.1461 11.9514 3.37278 -11.5987 29.1461 -11.5987 15.63 GPRESSAVG: 1454200 -9.36143 8.04961 29.504 13.3634 3.72406 -11.4688 30.7033 -9.76226 14.962 TIMING: 1454200 CPU: 4338.41, 0.00301294/step Wall: 4338.41, 0.00301294/step, 2.96758 hours remaining, 206.203125 MB of memory in use. ENERGY: 1454200 726.1691 2075.5195 1929.1221 122.5625 -205890.0885 17435.5329 0.0000 0.0000 34121.6408 -149479.5417 297.9928 -183601.1825 -149381.7144 298.4716 -196.5092 -166.1378 556751.4474 2.8810 3.1082 PRESSURE: 1454400 1.08793 35.44 195.29 35.4398 -104.357 121.208 195.291 121.209 -335.891 GPRESSURE: 1454400 2.23717 58.8642 206.845 27.2064 -90.868 159.617 202.311 141.462 -262.535 PRESSAVG: 1454400 63.5364 22.9895 14.827 22.9895 -0.0544116 38.3516 14.8271 38.3517 -46.562 GPRESSAVG: 1454400 63.5176 25.8051 16.0675 21.1289 0.213057 38.1618 13.2685 37.9203 -46.8119 TIMING: 1454400 CPU: 4339.01, 0.0030277/step Wall: 4339.01, 0.0030277/step, 2.98195 hours remaining, 206.203125 MB of memory in use. ENERGY: 1454400 721.9191 2054.3738 1909.9786 106.7374 -206212.9618 17632.4307 0.0000 0.0000 34053.9481 -149733.5740 297.4016 -183787.5221 -149633.7730 298.4517 -146.3868 -117.0552 556743.0975 5.6400 5.6396 PRESSURE: 1454600 123.261 -63.0728 -67.3798 -63.0737 -172.359 -113.377 -67.3797 -113.378 -233.635 GPRESSURE: 1454600 107.611 -6.86991 12.8331 -138.965 -87.8003 -96.7296 -72.6547 -61.7506 -201.414 PRESSAVG: 1454600 42.2512 9.89012 14.3769 9.89023 -75.74 12.6495 14.3768 12.6495 -20.7898 GPRESSAVG: 1454600 41.4344 8.11892 13.0435 13.1146 -75.7378 14.0111 12.8565 11.4964 -19.9509 TIMING: 1454600 CPU: 4339.61, 0.00300264/step Wall: 4339.61, 0.00300264/step, 2.9571 hours remaining, 206.203125 MB of memory in use. ENERGY: 1454600 719.0077 2104.9498 1917.9562 114.7506 -206103.9237 17593.4584 0.0000 0.0000 34163.4390 -149490.3620 298.3578 -183653.8010 -149393.7588 297.9965 -94.2444 -60.5344 557602.7311 -18.0929 -18.0848 PRESSURE: 1454800 -181.357 -98.6209 -118.973 -98.6216 -104.038 -97.7981 -118.973 -97.7962 -159.547 GPRESSURE: 1454800 -99.464 -64.5248 -136.01 -66.3197 -132.853 -164.289 -139.792 -99.0385 -124.246 PRESSAVG: 1454800 -45.0571 -10.2838 -56.949 -10.2838 -27.7862 -19.7026 -56.9489 -19.7026 37.1171 GPRESSAVG: 1454800 -44.2369 -10.3419 -58.0927 -9.35413 -28.0247 -19.3458 -54.7194 -18.376 36.0424 TIMING: 1454800 CPU: 4340.21, 0.00299547/step Wall: 4340.21, 0.00299547/step, 2.94987 hours remaining, 206.203125 MB of memory in use. ENERGY: 1454800 787.2867 2146.5220 1914.2507 115.0549 -206345.0545 17578.9233 0.0000 0.0000 34368.2051 -149434.8119 300.1461 -183803.0170 -149335.0844 298.8861 -148.3137 -118.8544 557312.6688 -11.9087 -12.0731 PRESSURE: 1455000 -4.12999 -65.2855 -125.038 -65.2849 30.6 -41.7647 -125.038 -41.7637 192.676 GPRESSURE: 1455000 32.7142 36.1866 -121.532 -155.988 47.4918 -144.645 -57.8317 -120.708 246.309 PRESSAVG: 1455000 -33.6571 -7.06769 12.7801 -7.0676 10.8876 -42.8244 12.7801 -42.8243 92.7632 GPRESSAVG: 1455000 -34.1995 -7.40157 12.8977 -10.1967 10.1251 -43.3346 11.2588 -45.7211 93.0483 TIMING: 1455000 CPU: 4340.81, 0.00300782/step Wall: 4340.81, 0.00300782/step, 2.96187 hours remaining, 206.203125 MB of memory in use. ENERGY: 1455000 764.5972 2073.2769 1956.9586 113.5065 -206684.1948 18058.2225 0.0000 0.0000 34233.6550 -149483.9780 298.9710 -183717.6331 -149388.3208 298.8525 73.0488 108.8384 555104.8139 23.3312 22.9913 PRESSURE: 1455200 -169.362 -136.787 55.7056 -136.789 -113.843 91.4543 55.7044 91.4538 137.754 GPRESSURE: 1455200 -68.3679 -91.2307 118.66 -135.59 -120.288 78.9886 49.1392 110.33 137.318 PRESSAVG: 1455200 16.5276 11.2462 -15.151 11.2462 -8.35714 -1.7424 -15.151 -1.74237 11.2066 GPRESSAVG: 1455200 15.189 10.2242 -13.6548 11.396 -7.83042 -1.39527 -14.5355 -0.345911 11.6017 TIMING: 1455200 CPU: 4341.41, 0.00300081/step Wall: 4341.41, 0.0030008/step, 2.95479 hours remaining, 206.203125 MB of memory in use. ENERGY: 1455200 771.4019 2019.1382 1971.4479 112.1025 -206424.3229 17818.5830 0.0000 0.0000 34174.2628 -149557.3867 298.4523 -183731.6495 -149456.7831 298.7410 -48.4836 -17.1126 556551.9550 6.4590 6.3201 PRESSURE: 1455400 -198.155 -174.179 -57.589 -174.178 23.5816 -25.8351 -57.5893 -25.8345 108.63 GPRESSURE: 1455400 -121.523 -170.265 -47.0951 -155.515 38.1956 -18.6582 -115.754 51.9028 116.099 PRESSAVG: 1455400 -40.8909 5.28173 54.5743 5.28178 -41.9666 66.5106 54.5743 66.5106 28.372 GPRESSAVG: 1455400 -40.3702 5.76387 54.9366 6.46884 -41.718 66.035 55.3363 67.7196 27.1912 TIMING: 1455400 CPU: 4342.01, 0.00300178/step Wall: 4342.01, 0.00300178/step, 2.95559 hours remaining, 206.203125 MB of memory in use. ENERGY: 1455400 768.8726 2097.4899 1949.4198 107.2177 -206311.5506 17884.2151 0.0000 0.0000 34177.3408 -149326.9947 298.4792 -183504.3355 -149221.5521 299.2648 -21.9809 10.9240 556594.9133 -18.1619 -18.2990 PRESSURE: 1455600 -9.53654 -79.2927 -61.079 -79.2936 136.217 -191.119 -61.0786 -191.12 -233.108 GPRESSURE: 1455600 14.7951 -92.1805 -60.3902 -38.3365 156.287 -199.89 -33.652 -160.845 -159.878 PRESSAVG: 1455600 21.9098 -70.9156 -8.63182 -70.9157 29.7576 22.0902 -8.63185 22.0902 -35.3749 GPRESSAVG: 1455600 22.3591 -68.8134 -10.1958 -72.2097 28.5351 22.4035 -8.21491 23.1874 -34.6963 TIMING: 1455600 CPU: 4342.62, 0.00301199/step Wall: 4342.62, 0.00301199/step, 2.96547 hours remaining, 206.203125 MB of memory in use. ENERGY: 1455600 775.0937 2045.0747 1936.5858 108.9699 -206898.6903 18067.9987 0.0000 0.0000 34364.6272 -149600.3403 300.1148 -183964.9675 -149508.2354 298.7417 -35.4758 3.7348 556062.7361 5.4308 5.3993 PRESSURE: 1455800 -2.90278 -44.0349 -7.20431 -44.0353 179.025 -75.0259 -7.20514 -75.026 -66.6693 GPRESSURE: 1455800 108.079 -130.095 9.86263 29.1754 212.731 -1.21976 3.22788 -129.837 -114.971 PRESSAVG: 1455800 -36.2617 -61.4832 -56.5653 -61.4833 14.155 0.216781 -56.5653 0.216791 32.8254 GPRESSAVG: 1455800 -37.0147 -61.819 -57.0099 -60.66 14.8158 -0.76361 -58.0827 -2.31901 32.1542 TIMING: 1455800 CPU: 4343.22, 0.00302136/step Wall: 4343.22, 0.00302136/step, 2.97452 hours remaining, 206.203125 MB of memory in use. ENERGY: 1455800 756.6690 2183.4800 1932.1893 118.3302 -206657.9602 17871.3159 0.0000 0.0000 34330.5602 -149465.4157 299.8173 -183795.9759 -149370.3757 299.1710 36.4842 68.6129 557443.4713 3.5729 3.3184 PRESSURE: 1456000 20.3347 18.921 -52.4312 18.9202 -112.978 3.44323 -52.4315 3.44327 -154.614 GPRESSURE: 1456000 57.7284 2.75363 -62.81 -1.27982 -59.0197 59.1771 -18.9984 38.0742 -157.044 PRESSAVG: 1456000 12.0885 -1.46554 -12.3053 -1.46566 24.3771 -36.1179 -12.3054 -36.1179 -14.6803 GPRESSAVG: 1456000 12.6451 -1.15301 -10.283 -1.06504 24.4272 -35.5904 -13.5133 -34.6785 -15.465 TIMING: 1456000 CPU: 4343.82, 0.00300591/step Wall: 4343.82, 0.00300591/step, 2.95915 hours remaining, 206.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1456000 787.3929 2135.5804 1928.5367 127.6811 -206558.2974 17887.4018 0.0000 0.0000 34376.0650 -149315.6395 300.2147 -183691.7045 -149217.4690 299.4102 -82.4190 -52.7785 557373.5868 7.2618 7.2024 PRESSURE: 1456200 -126.237 149.292 -239.398 149.294 28.2395 57.0238 -239.398 57.024 -1.03376 GPRESSURE: 1456200 -96.0601 165.929 -233.46 242.677 105.35 -116.161 -223.209 145.978 -16.3594 PRESSAVG: 1456200 19.4985 4.75407 -60.8824 4.75406 57.9832 1.12625 -60.8824 1.12624 -56.1204 GPRESSAVG: 1456200 20.1756 3.84462 -63.8426 1.23902 56.8898 -0.235071 -59.8909 3.11239 -56.2069 TIMING: 1456200 CPU: 4344.42, 0.00297305/step Wall: 4344.42, 0.00297306/step, 2.92664 hours remaining, 206.203125 MB of memory in use. ENERGY: 1456200 750.0094 2195.2771 1933.3619 101.7933 -206363.4736 17798.4581 0.0000 0.0000 34266.8435 -149317.7304 299.2609 -183584.5738 -149218.7143 299.2142 -33.0103 -2.3566 558877.7397 7.1204 6.9528 LDB: ============= START OF LOAD BALANCING ============== 4347.97 LDB: ============== END OF LOAD BALANCING =============== 4347.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4347.97 LDB: ============= START OF LOAD BALANCING ============== 4348.27 LDB: Largest compute 4796 load 0.026236 is 22.2% of average load 0.118169 LDB: Average compute 0.001729 is 1.5% of average load 0.118169 LDB: TIME 4348.27 LOAD: AVG 0.118169 MAX 0.216253 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 4348.27 LOAD: AVG 0.118169 MAX 0.216253 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.426 MB LDB: TIME 4348.27 LOAD: AVG 0.118169 MAX 0.216253 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.426 MB LDB: ============== END OF LOAD BALANCING =============== 4348.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4348.28 PRESSURE: 1456400 115.009 37.1402 7.01155 37.1419 -291.342 2.44412 7.01055 2.44408 -209.62 GPRESSURE: 1456400 106.969 74.9369 -8.47011 2.97623 -255.273 59.3265 56.4347 -52.9083 -133.134 PRESSAVG: 1456400 41.6637 -0.196028 -23.0369 -0.19606 -44.2426 10.9112 -23.037 10.9111 17.5674 GPRESSAVG: 1456400 39.5788 -0.458639 -21.0866 3.00273 -43.1815 10.9571 -24.0302 10.43 18.317 TIMING: 1456400 CPU: 4345.03, 0.00306758/step Wall: 4345.03, 0.00306758/step, 3.01952 hours remaining, 207.550781 MB of memory in use. ENERGY: 1456400 773.7195 2137.1041 1911.1983 120.9771 -206098.4212 17744.9141 0.0000 0.0000 34280.7479 -149129.7603 299.3823 -183410.5082 -149028.2843 299.5376 -128.6510 -93.8128 558512.7972 4.9962 4.9048 PRESSURE: 1456600 -37.6936 192.525 -84.8127 192.525 27.4106 -55.2454 -84.8115 -55.2434 220.874 GPRESSURE: 1456600 53.9249 133.505 -14.4958 213.49 2.77619 -22.823 -93.9897 -58.5392 236.228 PRESSAVG: 1456600 -2.28185 -6.48787 -21.2136 -6.48783 -51.4523 5.8222 -21.2136 5.82224 44.4775 GPRESSAVG: 1456600 -1.21603 -6.38318 -20.2777 -7.60596 -52.1306 6.58724 -21.4392 3.074 44.1494 TIMING: 1456600 CPU: 4345.63, 0.00301097/step Wall: 4345.63, 0.00301097/step, 2.96363 hours remaining, 207.550781 MB of memory in use. ENERGY: 1456600 755.5467 2086.5802 1908.1500 122.6263 -206490.0723 18115.0348 0.0000 0.0000 34350.7628 -149151.3716 299.9938 -183502.1344 -149052.5722 299.9164 70.1971 97.6431 558261.6563 -3.0855 -3.0657 PRESSURE: 1456800 -53.9747 5.02304 190.906 5.02375 -2.91263 76.5958 190.905 76.5956 -64.1674 GPRESSURE: 1456800 -86.2033 -73.0588 195.565 30.7504 60.164 29.3187 145.418 67.7171 -6.44251 PRESSAVG: 1456800 -26.4496 19.3073 23.8326 19.3072 65.8933 51.641 23.8325 51.641 -32.1258 GPRESSAVG: 1456800 -26.4481 19.0066 22.7556 19.8913 66.6994 51.8419 24.8357 54.129 -32.8819 TIMING: 1456800 CPU: 4346.23, 0.00299735/step Wall: 4346.23, 0.00299735/step, 2.95006 hours remaining, 207.550781 MB of memory in use. ENERGY: 1456800 732.1012 2106.7747 1918.6082 106.3076 -205924.1734 17609.8416 0.0000 0.0000 34310.6056 -149139.9345 299.6431 -183450.5400 -149043.1198 299.4159 -40.3516 -10.8273 558539.3967 2.4393 2.4565 PRESSURE: 1457000 -199.234 -98.4557 -107.404 -98.4549 21.9889 -65.9755 -107.405 -65.9741 -332.395 GPRESSURE: 1457000 -198.9 -60.3586 -80.6473 -102.342 20.3867 -96.3859 -86.4017 -53.3679 -241.596 PRESSAVG: 1457000 -4.23451 -22.6183 -2.2912 -22.6184 30.7053 21.6527 -2.2912 21.6529 48.5606 GPRESSAVG: 1457000 -3.81025 -22.5034 -3.42115 -21.3677 30.3245 20.3195 -1.54346 20.2688 48.5799 TIMING: 1457000 CPU: 4346.83, 0.00298862/step Wall: 4346.83, 0.00298862/step, 2.9413 hours remaining, 207.550781 MB of memory in use. ENERGY: 1457000 754.8266 2062.1286 1933.3629 112.2929 -206071.1206 17637.9613 0.0000 0.0000 34385.1450 -149185.4034 300.2940 -183570.5484 -149081.1801 298.9335 -169.8799 -140.0364 557687.9045 25.0104 25.0314 PRESSURE: 1457200 -261.221 -128.504 -117.031 -128.502 -168.096 -79.242 -117.03 -79.2406 -71.6582 GPRESSURE: 1457200 -255.236 -91.0276 -96.5924 -174.11 -172.544 -39.9393 -145.001 -127.408 16.3005 PRESSAVG: 1457200 0.767771 21.7596 -16.5952 21.7596 5.43763 -48.4129 -16.5952 -48.4129 -24.652 GPRESSAVG: 1457200 -0.180599 22.98 -15.8861 22.2202 5.01671 -49.7811 -17.622 -44.8388 -23.6591 TIMING: 1457200 CPU: 4347.43, 0.00299093/step Wall: 4347.43, 0.00299093/step, 2.9434 hours remaining, 207.550781 MB of memory in use. ENERGY: 1457200 795.3928 2120.8344 1937.7013 119.4467 -206010.9667 17609.5091 0.0000 0.0000 34382.4829 -149045.5994 300.2708 -183428.0823 -148945.2572 299.6640 -166.9920 -137.1599 557943.5769 -6.1489 -6.2743 PRESSURE: 1457400 29.8577 36.2134 61.6099 36.2143 -65.9723 115.329 61.61 115.329 -194.592 GPRESSURE: 1457400 54.4955 41.6541 20.6104 27.4254 -46.1433 134.709 35.7652 139.512 -145.305 PRESSAVG: 1457400 29.6121 14.2364 -41.2318 14.2364 -12.1363 -38.9505 -41.2318 -38.9506 -80.9226 GPRESSAVG: 1457400 31.072 12.3076 -41.6835 12.7141 -12.1365 -36.8892 -38.0089 -42.5055 -82.0714 TIMING: 1457400 CPU: 4348.03, 0.00300968/step Wall: 4348.03, 0.00300968/step, 2.96169 hours remaining, 207.550781 MB of memory in use. ENERGY: 1457400 774.2477 2143.8490 1930.7079 104.2166 -205849.7314 17590.8355 0.0000 0.0000 34221.6498 -149084.2248 298.8662 -183305.8746 -148992.9809 299.6632 -76.9024 -45.6508 557571.0164 -21.1489 -21.0453 PRESSURE: 1457600 342.362 -29.3977 109.972 -29.3968 125.716 86.1697 109.974 86.1694 62.3254 GPRESSURE: 1457600 361.407 33.6527 139.882 -66.0959 199.359 86.7359 101.07 68.042 46.2025 PRESSAVG: 1457600 33.4199 35.2416 35.4715 35.2414 -0.64084 5.69873 35.4714 5.69871 12.3508 GPRESSAVG: 1457600 33.069 37.7489 33.1744 33.1204 -0.618227 5.03604 31.8418 6.54898 11.9437 TIMING: 1457600 CPU: 4348.64, 0.0030351/step Wall: 4348.64, 0.0030351/step, 2.98654 hours remaining, 207.550781 MB of memory in use. ENERGY: 1457600 724.5318 2096.6757 1915.2517 111.1719 -206550.2453 17991.5439 0.0000 0.0000 34398.6057 -149312.4646 300.4116 -183711.0703 -149217.2616 299.6229 176.8010 202.3231 556735.6946 15.0433 14.7981 PRESSURE: 1457800 10.6315 36.0666 50.7042 36.0667 73.8107 16.7432 50.7046 16.7441 270.264 GPRESSURE: 1457800 83.9451 90.4676 79.6538 50.6214 118.81 -74.6502 -7.30205 63.3004 248.52 PRESSAVG: 1457800 -1.70739 -11.2559 28.6845 -11.256 7.85833 -18.9422 28.6844 -18.9423 12.3435 GPRESSAVG: 1457800 -1.36466 -11.961 28.5422 -10.6827 6.73546 -20.0532 30.1676 -18.8725 12.8467 TIMING: 1457800 CPU: 4349.24, 0.00301152/step Wall: 4349.24, 0.00301152/step, 2.96317 hours remaining, 207.550781 MB of memory in use. ENERGY: 1457800 743.8154 2113.4438 1917.0838 121.8489 -206786.4843 18189.4893 0.0000 0.0000 34212.8495 -149487.9536 298.7893 -183700.8031 -149392.0777 299.1787 118.2354 150.4250 556362.0484 6.1648 6.0725 PRESSURE: 1458000 -330.894 -32.0966 52.8879 -32.0958 22.3331 -77.2911 52.8876 -77.293 31.6972 GPRESSURE: 1458000 -346.463 47.5751 128.03 -141.117 147.438 -25.2273 -7.22492 -134.473 2.71832 PRESSAVG: 1458000 -63.3045 20.2871 3.28618 20.287 33.496 -34.7249 3.28626 -34.7249 -0.419822 GPRESSAVG: 1458000 -64.5246 19.0146 4.32078 20.8581 34.8663 -33.3281 3.72259 -35.4257 -0.947304 TIMING: 1458000 CPU: 4349.84, 0.0030113/step Wall: 4349.84, 0.0030113/step, 2.96279 hours remaining, 207.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1458000 773.1957 2080.8107 1914.5650 112.3831 -206056.4668 17507.5101 0.0000 0.0000 34262.4561 -149405.5461 299.2226 -183668.0023 -149304.9551 298.6840 -92.2879 -65.4355 557469.0693 -10.0761 -10.2019 PRESSURE: 1458200 398.333 -140.156 44.9858 -140.157 -108.134 -35.5783 44.9864 -35.5763 -34.5322 GPRESSURE: 1458200 495.541 -68.5763 111.127 -198.673 -129.433 -12.8197 -120.263 -60.8271 -13.7736 PRESSAVG: 1458200 -10.8304 62.6996 53.418 62.6995 -22.2836 -43.7163 53.4179 -43.7162 22.2735 GPRESSAVG: 1458200 -10.7572 63.4102 53.8138 63.1212 -22.5873 -43.8594 52.5595 -42.5124 22.4792 TIMING: 1458200 CPU: 4350.45, 0.00302768/step Wall: 4350.45, 0.00302767/step, 2.97873 hours remaining, 207.550781 MB of memory in use. ENERGY: 1458200 700.4646 2067.1325 1942.8839 117.5639 -206480.3775 18012.1454 0.0000 0.0000 34150.5978 -149489.5896 298.2457 -183640.1874 -149402.5267 298.7523 85.2224 117.4448 556952.8647 -3.6135 -3.6218 PRESSURE: 1458400 86.0195 -126.05 -181.047 -126.05 45.3977 -38.6222 -181.049 -38.6219 14.6207 GPRESSURE: 1458400 136.362 -124.486 -259.394 -94.374 58.4263 -70.3856 -106.508 -119.712 56.5379 PRESSAVG: 1458400 -5.52292 0.307061 -26.6836 0.307087 -72.316 -1.44876 -26.6836 -1.44876 58.229 GPRESSAVG: 1458400 -5.29834 -0.154197 -28.652 1.07304 -72.5707 -2.95865 -25.4604 -1.18143 58.3417 TIMING: 1458400 CPU: 4351.04, 0.00299681/step Wall: 4351.04, 0.00299681/step, 2.9482 hours remaining, 207.550781 MB of memory in use. ENERGY: 1458400 745.2580 2110.6829 1950.3735 122.9103 -206527.9395 17965.9241 0.0000 0.0000 33982.2016 -149650.5891 296.7750 -183632.7907 -149546.9433 298.5808 48.6793 83.7752 556255.2597 -6.5366 -6.5091 PRESSURE: 1458600 -146.514 169.426 38.9197 169.426 -343.975 -55.9995 38.918 -55.9989 -118.026 GPRESSURE: 1458600 -177.667 129.434 84.3814 220.461 -282.425 -80.09 11.3311 -78.7743 -59.1893 PRESSAVG: 1458600 -18.2328 -6.13384 -39.1578 -6.13382 18.5312 8.51228 -39.1579 8.5123 31.1992 GPRESSAVG: 1458600 -19.1684 -5.46412 -36.9044 -4.82772 19.1022 9.41086 -39.6912 7.64919 31.6552 TIMING: 1458600 CPU: 4351.65, 0.00302595/step Wall: 4351.65, 0.00302595/step, 2.9767 hours remaining, 207.550781 MB of memory in use. ENERGY: 1458600 753.1067 2053.5253 1933.9725 108.1838 -206101.9453 17505.3259 0.0000 0.0000 34248.5399 -149499.2912 299.1010 -183747.8311 -149401.1624 298.2167 -202.8382 -173.0938 555352.8567 10.4992 10.5297 PRESSURE: 1458800 147.089 98.9806 76.0216 98.9816 21.6692 -2.42437 76.0218 -2.42322 264.574 GPRESSURE: 1458800 180.54 -6.24337 140.369 133.916 59.5203 13.4504 -17.2278 27.2126 269.067 PRESSAVG: 1458800 -70.3545 7.24711 -28.995 7.2471 -10.6956 -39.4442 -28.995 -39.4442 42.7875 GPRESSAVG: 1458800 -70.4743 7.36526 -29.9846 4.69858 -10.5577 -39.7266 -27.3093 -38.1087 42.3689 TIMING: 1458800 CPU: 4352.26, 0.003029/step Wall: 4352.26, 0.003029/step, 2.97952 hours remaining, 207.550781 MB of memory in use. ENERGY: 1458800 773.1410 2102.4971 1923.7687 112.1101 -206511.9748 17903.3468 0.0000 0.0000 34296.7940 -149400.3172 299.5224 -183697.1112 -149305.7069 298.8670 144.4442 169.7093 555470.5880 -12.7542 -12.8877 PRESSURE: 1459000 -38.9569 -160.958 -138.221 -160.958 38.8819 32.6416 -138.222 32.6403 229.013 GPRESSURE: 1459000 -21.0834 -178.129 -50.3255 -189.162 142.108 -40.7697 -172.3 67.3764 204.022 PRESSAVG: 1459000 25.4585 -30.0318 -29.265 -30.0318 -40.4048 31.4227 -29.265 31.4228 18.0873 GPRESSAVG: 1459000 25.5189 -30.2411 -29.832 -29.1161 -41.0797 32.2058 -30.7643 30.2741 18.7875 TIMING: 1459000 CPU: 4352.86, 0.00302024/step Wall: 4352.86, 0.00302024/step, 2.97074 hours remaining, 207.550781 MB of memory in use. ENERGY: 1459000 741.7621 2043.1102 1909.4642 102.4081 -206253.5463 17870.5992 0.0000 0.0000 34357.6783 -149228.5242 300.0542 -183586.2025 -149134.0306 299.5461 76.3127 108.3488 557986.2064 1.0470 1.0755 PRESSURE: 1459200 203.34 -163.745 102.907 -163.745 10.8622 5.9082 102.907 5.90647 -129.132 GPRESSURE: 1459200 268.892 -100.138 80.3636 -129.488 -8.83882 6.72725 102.262 -59.1375 -73.1851 PRESSAVG: 1459200 42.7563 26.1323 -35.1914 26.1323 51.7546 -0.418835 -35.1914 -0.418878 -87.3178 GPRESSAVG: 1459200 43.6286 25.8322 -33.9888 27.283 51.8616 0.662621 -33.9557 -2.26903 -88.0823 TIMING: 1459200 CPU: 4353.46, 0.00298436/step Wall: 4353.46, 0.00298436/step, 2.93528 hours remaining, 207.550781 MB of memory in use. ENERGY: 1459200 754.5729 2067.4391 1918.2674 120.4719 -206227.3483 17891.4904 0.0000 0.0000 34301.4691 -149173.6375 299.5633 -183475.1066 -149078.1153 299.0469 28.3569 62.2892 555851.8055 2.3977 2.4693 PRESSURE: 1459400 -61.8574 -85.2603 48.3826 -85.2607 -182.345 24.9215 48.381 24.921 -250.7 GPRESSURE: 1459400 -42.9689 -91.8739 25.6656 -114.606 -88.1087 53.0203 42.8207 -20.7143 -251.965 PRESSAVG: 1459400 -44.4293 -25.4609 -9.14849 -25.4608 85.8184 8.2512 -9.14848 8.25113 -20.7601 GPRESSAVG: 1459400 -46.9268 -26.0772 -10.5834 -26.5123 88.787 7.85678 -10.3931 9.70429 -20.7389 TIMING: 1459400 CPU: 4354.06, 0.00300553/step Wall: 4354.06, 0.00300553/step, 2.95594 hours remaining, 207.550781 MB of memory in use. ENERGY: 1459400 772.4977 2064.5635 1958.2698 122.8661 -205991.0668 17499.3816 0.0000 0.0000 34298.0658 -149275.4223 299.5335 -183573.4881 -149180.4585 299.3568 -164.9674 -127.6809 556527.1193 6.8763 7.0405 PRESSURE: 1459600 188.026 -1.48417 -237.967 -1.48509 57.3429 -92.9249 -237.968 -92.9239 76.4105 GPRESSURE: 1459600 234.509 85.7783 -248.94 -77.7009 111.482 -14.2034 -180.394 -67.2937 76.2807 PRESSAVG: 1459600 -4.67024 7.21841 37.0761 7.21828 45.6057 1.85288 37.0761 1.85293 -28.0533 GPRESSAVG: 1459600 -3.20418 6.58402 37.7442 6.60982 44.339 0.180816 37.5022 0.875416 -28.424 TIMING: 1459600 CPU: 4354.66, 0.00302338/step Wall: 4354.66, 0.00302338/step, 2.97332 hours remaining, 207.550781 MB of memory in use. ENERGY: 1459600 758.0908 2089.8380 1925.7664 116.6729 -207125.1092 18134.4068 0.0000 0.0000 34434.8581 -149665.4763 300.7282 -184100.3343 -149572.5568 299.4415 107.2597 140.7572 555851.7406 4.2940 4.2370 PRESSURE: 1459800 -8.16829 -125.64 20.4623 -125.64 305.79 -40.1931 20.4613 -40.1928 -14.8391 GPRESSURE: 1459800 105.3 -109.727 -24.8682 -44.1874 300.849 -83.7861 96.5977 -23.0056 -31.5524 PRESSAVG: 1459800 -7.49381 32.9105 -6.98015 32.9104 12.8796 9.51161 -6.98017 9.51165 -25.5441 GPRESSAVG: 1459800 -7.62062 34.7953 -5.86981 34.4725 11.9083 10.3369 -6.91608 10.9963 -24.8738 TIMING: 1459800 CPU: 4355.27, 0.00303201/step Wall: 4355.27, 0.00303201/step, 2.98165 hours remaining, 207.550781 MB of memory in use. ENERGY: 1459800 784.2705 2079.3095 1948.2975 122.9140 -206871.2942 18188.5136 0.0000 0.0000 34146.4067 -149601.5824 298.2091 -183747.9891 -149507.4858 298.7184 94.2610 124.8654 556274.5576 -6.7194 -6.8620 PRESSURE: 1460000 111.548 -323.26 -132.213 -323.261 -153.93 15.3034 -132.212 15.3041 -207.954 GPRESSURE: 1460000 125.479 -287.482 -161.96 -230.311 -105.461 -30.0552 -176.002 63.0567 -174.982 PRESSAVG: 1460000 -92.6064 27.0213 23.687 27.0213 58.4432 -18.067 23.687 -18.067 17.0444 GPRESSAVG: 1460000 -91.9835 26.6199 22.1746 26.6912 58.2256 -18.1057 23.3346 -18.77 17.0771 TIMING: 1460000 CPU: 4355.87, 0.0029982/step Wall: 4355.87, 0.0029982/step, 2.94823 hours remaining, 207.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1460000 803.1712 2075.3632 1933.0218 121.0096 -206446.2072 17930.3248 0.0000 0.0000 34214.5000 -149368.8167 298.8037 -183583.3166 -149277.6400 299.0481 -83.4455 -51.6547 558157.8022 -5.7062 -5.5603 PRESSURE: 1460200 65.5778 -31.5925 -128.846 -31.5929 69.55 73.4457 -128.844 73.447 -143.534 GPRESSURE: 1460200 94.9261 -14.2447 -24.8114 -56.0416 60.7304 67.4241 -140.694 99.4544 -67.7821 PRESSAVG: 1460200 18.1448 -54.5038 4.45861 -54.5037 -51.0677 9.03809 4.45865 9.03801 26.5099 GPRESSAVG: 1460200 17.878 -56.8665 6.86653 -55.7513 -50.734 7.63662 2.42301 10.2011 26.6755 TIMING: 1460200 CPU: 4356.47, 0.00299409/step Wall: 4356.47, 0.00299409/step, 2.94402 hours remaining, 207.550781 MB of memory in use. ENERGY: 1460200 731.1528 2093.9120 1936.7700 106.1006 -206293.9968 17775.5544 0.0000 0.0000 34082.7061 -149567.8009 297.6527 -183650.5070 -149469.5870 298.4968 -2.8022 29.2915 556542.7656 -2.1377 -2.0602 LDB: ============= START OF LOAD BALANCING ============== 4360.02 LDB: ============== END OF LOAD BALANCING =============== 4360.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4360.02 LDB: ============= START OF LOAD BALANCING ============== 4360.32 LDB: Largest compute 4796 load 0.025524 is 21.6% of average load 0.118233 LDB: Average compute 0.001735 is 1.5% of average load 0.118233 LDB: TIME 4360.33 LOAD: AVG 0.118233 MAX 0.215805 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 4360.33 LOAD: AVG 0.118233 MAX 0.215805 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 4360.33 LOAD: AVG 0.118233 MAX 0.215805 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 4360.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 4360.33 Info: useSync: 0 useProxySync: 0 PRESSURE: 1460400 -68.9099 -206.155 -148.191 -206.154 27.448 109.599 -148.191 109.598 -78.8125 GPRESSURE: 1460400 -47.0765 -162.138 -256.412 -203.081 76.3173 108.771 -178.425 24.9636 -55.3786 PRESSAVG: 1460400 53.5351 0.357016 -5.52947 0.357005 -64.6258 32.9082 -5.5295 32.9081 59.8122 GPRESSAVG: 1460400 52.9592 1.95489 -6.23077 1.36829 -64.0668 34.4517 -6.19894 32.5149 59.8216 TIMING: 1460400 CPU: 4357.08, 0.00307466/step Wall: 4357.08, 0.00307466/step, 3.02308 hours remaining, 208.507812 MB of memory in use. ENERGY: 1460400 775.3968 2054.0684 1940.3394 126.0281 -206562.9854 18148.9487 0.0000 0.0000 34305.1963 -149213.0077 299.5958 -183518.2040 -149116.5989 299.1766 -40.0915 -8.7126 558128.2280 16.2405 16.2380 PRESSURE: 1460600 -56.1049 -22.5473 30.8876 -22.5474 52.8417 -218.968 30.888 -218.967 218.387 GPRESSURE: 1460600 15.7323 1.72959 65.5787 -14.386 95.2899 -165.679 -33.0429 -259.357 203.897 PRESSAVG: 1460600 51.7386 -7.55325 -20.003 -7.55323 -58.6751 -25.5485 -20.0032 -25.5484 -5.95215 GPRESSAVG: 1460600 51.4788 -7.93827 -20.0734 -9.33998 -58.3445 -26.8165 -21.0462 -26.4022 -5.79457 TIMING: 1460600 CPU: 4357.69, 0.00301799/step Wall: 4357.69, 0.00301799/step, 2.96719 hours remaining, 208.710938 MB of memory in use. ENERGY: 1460600 727.5382 2054.9195 1931.3379 112.5438 -206337.8099 17865.3801 0.0000 0.0000 34270.7481 -149375.3423 299.2950 -183646.0904 -149278.8121 298.5138 71.7079 104.9730 556969.5311 -4.2962 -4.2201 PRESSURE: 1460800 -43.5863 -97.2577 133.718 -97.2574 27.7179 29.187 133.718 29.1871 334.758 GPRESSURE: 1460800 12.8269 -125.467 37.8144 -75.1899 41.5382 74.891 179.596 25.1739 353.865 PRESSAVG: 1460800 -26.4262 -74.7675 4.51421 -74.7675 6.95412 -64.2894 4.51423 -64.2894 84.616 GPRESSAVG: 1460800 -25.7349 -75.0193 6.00824 -73.4741 6.50979 -63.3763 7.49799 -62.9715 84.0049 TIMING: 1460800 CPU: 4358.3, 0.00305152/step Wall: 4358.3, 0.00305152/step, 2.99998 hours remaining, 208.710938 MB of memory in use. ENERGY: 1460800 706.7345 2084.9773 1921.6517 119.2437 -206173.1849 18040.0170 0.0000 0.0000 34105.6989 -149194.8618 297.8536 -183300.5607 -149099.7055 298.6749 106.2964 136.0766 557881.3718 21.7146 21.5932 PRESSURE: 1461000 85.1118 -103.481 -200.921 -103.482 133.235 -143.482 -200.921 -143.483 -24.8485 GPRESSURE: 1461000 95.3734 -136.42 -250.967 -96.9949 169.991 -183.509 -166.203 -135.641 40.7463 PRESSAVG: 1461000 -4.509 -23.1599 -8.98022 -23.1599 50.2119 -92.5072 -8.98019 -92.5071 -54.4095 GPRESSAVG: 1461000 -4.79142 -22.4705 -9.79992 -22.4507 49.4697 -92.8615 -10.5496 -92.4454 -53.2915 TIMING: 1461000 CPU: 4358.9, 0.00300747/step Wall: 4358.9, 0.00300747/step, 2.95651 hours remaining, 208.710938 MB of memory in use. ENERGY: 1461000 716.7533 2108.3720 1956.4715 115.1513 -206257.9157 17968.3918 0.0000 0.0000 34151.5149 -149241.2610 298.2537 -183392.7759 -149145.5242 299.1567 64.4993 102.0369 558014.8143 -2.9022 -2.8711 PRESSURE: 1461200 -197.867 -259.396 -59.2499 -259.395 101.474 122.761 -59.2491 122.761 -75.3753 GPRESSURE: 1461200 -239.01 -268.233 -110.21 -158.354 170.048 77.6496 42.6204 141.005 -18.9621 PRESSAVG: 1461200 8.95165 -22.1731 51.1969 -22.173 32.4222 7.34391 51.197 7.34386 -22.2147 GPRESSAVG: 1461200 9.35818 -21.7839 48.9737 -22.3724 32.7161 8.69631 52.1925 3.96294 -22.8587 TIMING: 1461200 CPU: 4359.5, 0.00301164/step Wall: 4359.5, 0.00301164/step, 2.96044 hours remaining, 208.710938 MB of memory in use. ENERGY: 1461200 748.5124 1991.7395 1942.3718 108.1927 -206011.2067 17782.4259 0.0000 0.0000 34141.7538 -149296.2106 298.1684 -183437.9644 -149201.3163 298.3608 -57.2560 -29.3081 557794.2780 6.3864 6.4052 PRESSURE: 1461400 6.29276 -1.39773 122.044 -1.39765 153.388 -11.7225 122.043 -11.721 115.948 GPRESSURE: 1461400 62.3639 -18.0046 131.56 43.2949 153.982 35.8791 168.937 4.50943 141.978 PRESSAVG: 1461400 -68.6142 12.1533 2.89324 12.1533 40.8429 -55.4612 2.8933 -55.4612 36.6834 GPRESSAVG: 1461400 -68.0855 12.9539 3.86029 12.4914 41.3374 -56.4974 1.69343 -53.1123 36.289 TIMING: 1461400 CPU: 4360.1, 0.0029761/step Wall: 4360.1, 0.0029761/step, 2.92534 hours remaining, 208.710938 MB of memory in use. ENERGY: 1461400 768.7994 2059.9739 1965.0111 106.4804 -206096.9076 17887.7545 0.0000 0.0000 34201.1947 -149107.6936 298.6875 -183308.8882 -149011.4600 299.3860 91.8765 119.4410 557771.4965 2.9707 3.1803 PRESSURE: 1461600 -81.9299 43.5448 -145.481 43.5445 75.1904 -16.8508 -145.482 -16.8517 -21.4076 GPRESSURE: 1461600 -49.2708 46.3452 -99.0197 27.306 113.463 71.3307 -195.618 -66.5313 -1.79507 PRESSAVG: 1461600 27.0126 51.7135 -11.1628 51.7134 -40.0491 -25.203 -11.1629 -25.203 -39.7704 GPRESSAVG: 1461600 27.0437 51.5043 -11.5961 50.5409 -40.5866 -26.1844 -9.86442 -25.8386 -39.6536 TIMING: 1461600 CPU: 4360.7, 0.00300621/step Wall: 4360.7, 0.00300621/step, 2.95477 hours remaining, 208.710938 MB of memory in use. ENERGY: 1461600 783.4574 2086.4893 1977.6316 132.4963 -206109.2370 17731.1891 0.0000 0.0000 34285.7538 -149112.2195 299.4260 -183397.9732 -149016.4116 299.6525 -9.3824 20.7989 557116.7631 -17.6023 -17.7321 PRESSURE: 1461800 -87.2198 31.9913 61.5211 31.9901 -51.6866 -226.781 61.521 -226.78 64.7601 GPRESSURE: 1461800 -17.4974 -7.12189 46.6208 -15.0935 -43.7404 -283.894 73.0537 -93.9629 96.2927 PRESSAVG: 1461800 -10.4651 -22.3124 16.6134 -22.3124 7.68942 0.998493 16.6133 0.998592 29.7087 GPRESSAVG: 1461800 -11.6512 -22.5247 16.0637 -22.6205 8.96817 1.10206 14.8377 2.55404 29.5988 TIMING: 1461800 CPU: 4361.3, 0.00301894/step Wall: 4361.3, 0.00301894/step, 2.96712 hours remaining, 208.710938 MB of memory in use. ENERGY: 1461800 755.0636 2055.7065 1898.0327 125.8300 -206347.2951 17933.8126 0.0000 0.0000 34294.5159 -149284.3339 299.5025 -183578.8497 -149182.7096 298.8565 -24.7154 11.6850 557369.1817 8.9777 8.9719 PRESSURE: 1462000 37.0754 172.673 -79.312 172.674 -355.673 52.8063 -79.312 52.8058 224.31 GPRESSURE: 1462000 93.003 185.358 -30.5169 180.385 -303.758 -43.8841 -104.968 106.829 208.092 PRESSAVG: 1462000 -20.3731 31.3456 50.625 31.3454 -33.6387 -6.62237 50.6249 -6.62245 46.5141 GPRESSAVG: 1462000 -19.8534 30.803 53.4032 34.7087 -33.9393 -5.76959 52.7048 -5.63515 45.8341 TIMING: 1462000 CPU: 4361.9, 0.00301624/step Wall: 4361.9, 0.00301624/step, 2.96429 hours remaining, 208.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1462000 716.9319 2056.3132 1936.6528 118.1130 -206350.2394 17882.3131 0.0000 0.0000 34311.6212 -149328.2942 299.6519 -183639.9154 -149238.3238 299.0289 -31.4290 -0.8878 558230.3338 -2.4992 -2.6529 PRESSURE: 1462200 12.9369 -109.734 16.5204 -109.735 6.48833 96.5695 16.52 96.5671 24.8509 GPRESSURE: 1462200 63.9402 -156.457 -1.45458 -69.3648 75.243 105.954 31.9331 170.209 11.5547 PRESSAVG: 1462200 -11.341 -29.8845 -16.6339 -29.8845 -10.332 41.2959 -16.6338 41.2959 52.4757 GPRESSAVG: 1462200 -11.658 -30.454 -18.4532 -30.787 -9.8988 40.8877 -18.2091 40.01 53.1521 TIMING: 1462200 CPU: 4362.51, 0.00302081/step Wall: 4362.51, 0.00302081/step, 2.96862 hours remaining, 208.710938 MB of memory in use. ENERGY: 1462200 772.3635 2077.8422 1938.2564 128.6228 -206375.3692 18048.8707 0.0000 0.0000 34210.2806 -149199.1330 298.7669 -183409.4136 -149108.3910 299.8435 14.7587 50.2460 558375.1949 10.2675 10.5318 PRESSURE: 1462400 24.1235 139.441 78.2379 139.44 51.2611 -117.085 78.2383 -117.083 -116.272 GPRESSURE: 1462400 70.9067 161.063 30.5737 74.3935 56.9214 -177.854 66.2527 -244.625 -64.8683 PRESSAVG: 1462400 1.24794 75.5161 -80.8401 75.5161 2.90848 27.653 -80.8401 27.653 -43.047 GPRESSAVG: 1462400 1.62112 75.4062 -81.6456 76.4397 2.08811 26.3491 -78.3299 28.4511 -42.4301 TIMING: 1462400 CPU: 4363.11, 0.00299679/step Wall: 4363.11, 0.00299679/step, 2.94485 hours remaining, 208.710938 MB of memory in use. ENERGY: 1462400 743.8790 2029.3073 1956.3006 110.1878 -206328.5111 17849.8028 0.0000 0.0000 34324.3859 -149314.6476 299.7634 -183639.0335 -149220.8770 299.3216 -13.6290 20.9866 558430.2389 -12.9635 -12.9070 PRESSURE: 1462600 109.183 2.23645 3.97137 2.23658 87.5014 57.7263 3.97268 57.7267 255.737 GPRESSURE: 1462600 193.84 19.011 -83.3195 59.7311 120.528 0.533679 69.6944 35.3069 240.471 PRESSAVG: 1462600 -43.9388 24.4347 -56.9305 24.4347 39.8944 -15.1232 -56.9304 -15.1232 -12.1516 GPRESSAVG: 1462600 -43.9137 27.6854 -56.1034 20.9271 40.6022 -13.494 -58.9087 -16.2593 -13.0558 TIMING: 1462600 CPU: 4363.71, 0.0030272/step Wall: 4363.71, 0.0030272/step, 2.97456 hours remaining, 208.710938 MB of memory in use. ENERGY: 1462600 753.0548 2081.3586 1916.2251 123.6595 -206525.1662 17977.5185 0.0000 0.0000 34376.2993 -149297.0503 300.2168 -183673.3496 -149190.4186 298.4574 150.8071 184.9461 556949.7496 -5.3987 -5.4557 PRESSURE: 1462800 -61.0461 54.5806 -31.7681 54.5807 50.4305 20.4464 -31.7678 20.4462 -180.408 GPRESSURE: 1462800 -67.7061 67.5085 -121.309 125.768 85.1544 26.972 -60.7235 92.1324 -110.859 PRESSAVG: 1462800 24.4358 32.4359 -56.55 32.4358 2.61888 25.2544 -56.55 25.2545 -7.6572 GPRESSAVG: 1462800 24.7107 30.0465 -57.5846 34.4893 1.16235 25.0996 -55.273 25.7364 -6.999 TIMING: 1462800 CPU: 4364.31, 0.00301163/step Wall: 4364.31, 0.00301163/step, 2.95909 hours remaining, 208.710938 MB of memory in use. ENERGY: 1462800 710.3536 2129.6447 1922.6680 116.8096 -206162.0601 17771.0208 0.0000 0.0000 34333.2755 -149178.2878 299.8410 -183511.5633 -149077.8975 299.8741 -63.6746 -31.1369 558950.5639 6.4658 6.2914 PRESSURE: 1463000 43.9783 -92.5742 41.6 -92.5745 -48.8822 144.228 41.6 144.228 -199.135 GPRESSURE: 1463000 65.0514 -76.8684 80.3077 -19.8248 -39.0781 74.358 84.003 147.59 -124.375 PRESSAVG: 1463000 9.77661 19.6752 -21.2378 19.6752 11.9628 -13.8983 -21.2377 -13.8983 -60.8066 GPRESSAVG: 1463000 10.0018 21.411 -20.2734 18.239 11.9733 -13.678 -20.2409 -13.5355 -60.8226 TIMING: 1463000 CPU: 4364.92, 0.00302102/step Wall: 4364.92, 0.00302102/step, 2.96815 hours remaining, 208.710938 MB of memory in use. ENERGY: 1463000 762.9948 2097.8328 1939.1600 103.5114 -206411.7230 17824.0568 0.0000 0.0000 34479.3896 -149204.7776 301.1171 -183684.1672 -149108.9015 299.4922 -68.0128 -32.8006 557381.8853 -13.0224 -12.9492 PRESSURE: 1463200 -42.7283 -90.2581 20.1487 -90.2581 -257.449 119.818 20.1495 119.818 -231.523 GPRESSURE: 1463200 -35.9291 -100.86 -22.1152 -125.691 -231.257 150.391 68.4895 101.025 -167.191 PRESSAVG: 1463200 -12.1324 31.2926 2.60702 31.2926 33.1882 -10.9693 2.60696 -10.9694 -13.4496 GPRESSAVG: 1463200 -13.418 29.5556 4.34747 33.8553 35.3939 -10.7604 -1.32673 -12.0816 -14.6734 TIMING: 1463200 CPU: 4365.52, 0.00299982/step Wall: 4365.52, 0.00299982/step, 2.94715 hours remaining, 208.710938 MB of memory in use. ENERGY: 1463200 774.8744 2093.2911 1931.7644 111.6730 -206206.2027 17662.5773 0.0000 0.0000 34264.5834 -149367.4390 299.2411 -183632.0225 -149274.1360 299.1384 -177.2336 -144.7923 557458.4783 2.5354 2.4342 PRESSURE: 1463400 -191.769 -121.129 46.5054 -121.129 335.573 -16.3248 46.5056 -16.3224 -1.6547 GPRESSURE: 1463400 -153.663 -95.3951 -3.03481 -204.98 361.456 44.0155 52.8324 -24.1142 41.3659 PRESSAVG: 1463400 45.9965 -60.2937 58.1202 -60.2937 27.779 21.6121 58.1202 21.6121 -22.2224 GPRESSAVG: 1463400 47.5189 -60.5117 58.5849 -60.1027 26.8099 19.9862 59.8364 23.783 -22.5382 TIMING: 1463400 CPU: 4366.12, 0.00302453/step Wall: 4366.12, 0.00302453/step, 2.97127 hours remaining, 208.710938 MB of memory in use. ENERGY: 1463400 775.6086 2097.1804 1910.9757 112.6622 -206456.8516 17959.5692 0.0000 0.0000 34371.7258 -149229.1298 300.1768 -183600.8556 -149130.0558 299.5343 47.3829 83.0530 557573.1401 17.1844 17.2635 PRESSURE: 1463600 125.09 -68.175 -22.4574 -68.1738 -80.267 -45.2491 -22.456 -45.2482 109.65 GPRESSURE: 1463600 169.762 -56.2102 -101.938 -122.57 -42.7743 19.0633 -38.5849 -29.476 122.75 PRESSAVG: 1463600 1.33076 -32.4415 26.2706 -32.4415 47.147 -7.42342 26.2706 -7.42348 -19.0346 GPRESSAVG: 1463600 -0.118051 -32.7204 25.2037 -33.5481 47.0856 -4.33509 26.9106 -9.18349 -18.0623 TIMING: 1463600 CPU: 4366.73, 0.00300969/step Wall: 4366.73, 0.00300969/step, 2.95652 hours remaining, 208.710938 MB of memory in use. ENERGY: 1463600 744.7060 2132.1613 1945.4877 123.5443 -206454.0657 17888.6191 0.0000 0.0000 34356.4991 -149263.0482 300.0439 -183619.5473 -149159.3486 299.1537 51.4908 83.2459 555936.5600 9.8144 9.6351 PRESSURE: 1463800 257.976 -150.41 167.566 -150.411 40.4498 -12.9903 167.567 -12.9908 36.7507 GPRESSURE: 1463800 256.925 -167.29 124.462 -184.655 35.504 -79.3662 256.732 13.0812 128.683 PRESSAVG: 1463800 13.068 -85.3124 21.5807 -85.3124 -84.9538 27.1282 21.5807 27.1282 55.3593 GPRESSAVG: 1463800 13.8111 -83.9771 22.1967 -86.2793 -85.3985 23.1017 22.2914 28.4428 55.2826 TIMING: 1463800 CPU: 4367.33, 0.00303051/step Wall: 4367.33, 0.00303051/step, 2.9768 hours remaining, 208.710938 MB of memory in use. ENERGY: 1463800 771.1558 2086.5126 1945.2421 124.7764 -206545.3920 18039.2801 0.0000 0.0000 34264.7712 -149313.6538 299.2428 -183578.4251 -149214.4119 299.4850 111.7255 140.3704 556954.1389 -5.5089 -5.4349 PRESSURE: 1464000 -117.129 -88.4061 60.6827 -88.4059 -229.172 -1.66832 60.6832 -1.66696 -370.779 GPRESSURE: 1464000 -133.924 -186.034 41.4903 -75.1729 -199.624 -78.5808 78.3402 88.1357 -280.852 PRESSAVG: 1464000 48.6211 -3.42864 -38.1411 -3.42868 -29.9047 18.0041 -38.1411 18.0042 24.0943 GPRESSAVG: 1464000 49.0837 -3.08029 -38.3137 -2.99982 -29.9683 20.104 -39.2787 17.2215 23.4043 TIMING: 1464000 CPU: 4367.94, 0.00304965/step Wall: 4367.94, 0.00304965/step, 2.99543 hours remaining, 208.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1464000 785.1812 2145.8879 1956.4368 119.1045 -205672.2941 17211.5327 0.0000 0.0000 34181.8900 -149272.2611 298.5189 -183454.1511 -149173.0846 299.0301 -239.0266 -204.8002 557470.2667 14.2702 14.1732 PRESSURE: 1464200 -94.0511 0.00406086 13.3415 0.0028409 -96.0683 -13.5216 13.3422 -13.5206 -80.5548 GPRESSURE: 1464200 -51.2063 3.73168 -51.9238 38.5043 -56.4705 -33.8803 30.6354 -41.2829 -68.548 PRESSAVG: 1464200 14.6743 -0.0656062 23.765 -0.0655546 -21.06 10.2029 23.765 10.203 -45.3629 GPRESSAVG: 1464200 14.5454 0.320824 23.1258 0.512429 -21.5186 8.8664 23.9309 11.9379 -45.2778 TIMING: 1464200 CPU: 4368.55, 0.00302586/step Wall: 4368.55, 0.00302586/step, 2.9719 hours remaining, 208.710938 MB of memory in use. ENERGY: 1464200 794.1295 2078.5404 1930.9215 120.8512 -206340.1690 17822.8560 0.0000 0.0000 34164.5322 -149428.3383 298.3674 -183592.8705 -149329.4511 299.6348 -90.2247 -58.7416 557940.5440 -17.2495 -17.4170 LDB: ============= START OF LOAD BALANCING ============== 4372.1 LDB: ============== END OF LOAD BALANCING =============== 4372.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4372.1 LDB: ============= START OF LOAD BALANCING ============== 4372.4 LDB: Largest compute 4796 load 0.027095 is 22.9% of average load 0.118173 LDB: Average compute 0.001731 is 1.5% of average load 0.118173 LDB: TIME 4372.41 LOAD: AVG 0.118173 MAX 0.217279 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.004 MB LDB: TIME 4372.41 LOAD: AVG 0.118173 MAX 0.217279 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.008 MB LDB: TIME 4372.41 LOAD: AVG 0.118173 MAX 0.217279 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.008 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4372.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4372.41 PRESSURE: 1464400 -149.201 78.8491 -29.8072 78.85 -184.377 -187.867 -29.8067 -187.867 -174.142 GPRESSURE: 1464400 -171.125 40.042 -18.563 54.4876 -136.534 -244.743 -78.3738 -143.773 -97.9393 PRESSAVG: 1464400 -48.6033 -23.4087 83.4348 -23.4086 33.9126 -11.37 83.4348 -11.3702 34.9481 GPRESSAVG: 1464400 -48.9601 -25.7925 83.6926 -23.4497 34.2225 -10.891 83.9111 -11.813 34.9281 TIMING: 1464400 CPU: 4369.16, 0.0030776/step Wall: 4369.16, 0.0030776/step, 3.02254 hours remaining, 207.226562 MB of memory in use. ENERGY: 1464400 762.5286 2109.3659 1938.6539 107.3435 -206112.2640 17699.9310 0.0000 0.0000 33997.2854 -149497.1558 296.9067 -183494.4411 -149400.9556 298.7003 -169.2401 -135.1993 558576.2924 6.7525 6.7301 PRESSURE: 1464600 3.82422 -12.9316 153.687 -12.9313 80.7373 227.821 153.686 227.822 114.476 GPRESSURE: 1464600 47.9695 -79.0118 118.387 61.9262 87.283 258.918 143.684 163.139 156.586 PRESSAVG: 1464600 9.28202 -36.8233 4.5474 -36.8232 -20.9643 -30.9329 4.54736 -30.9329 53.1875 GPRESSAVG: 1464600 10.0175 -36.264 3.02526 -35.5573 -21.9238 -29.6098 3.92524 -31.4429 53.3227 TIMING: 1464600 CPU: 4369.76, 0.00300123/step Wall: 4369.76, 0.00300123/step, 2.94737 hours remaining, 207.226562 MB of memory in use. ENERGY: 1464600 727.4444 2085.1069 1982.6672 112.5992 -206523.2339 17858.8192 0.0000 0.0000 34383.7777 -149372.8191 300.2821 -183756.5969 -149272.1029 299.5860 66.3458 97.2795 557577.1912 13.8351 13.8055 PRESSURE: 1464800 -157.783 185.978 -11.5872 185.978 -257.134 -59.7366 -11.5857 -59.7368 188.769 GPRESSURE: 1464800 -49.3819 217.044 -53.98 180.67 -190.823 -74.8616 -33.3311 -69.6276 116.37 PRESSAVG: 1464800 -80.8891 -5.92009 28.1807 -5.92012 -10.2234 10.2295 28.1807 10.2294 46.6308 GPRESSAVG: 1464800 -81.3457 -5.46182 28.8513 -7.78063 -9.97079 9.36764 28.5809 9.78621 46.6162 TIMING: 1464800 CPU: 4370.37, 0.00303482/step Wall: 4370.37, 0.00303482/step, 2.9802 hours remaining, 207.226562 MB of memory in use. ENERGY: 1464800 724.9397 2073.8981 1959.4730 110.1987 -205936.5330 17590.8465 0.0000 0.0000 34084.3354 -149392.8417 297.6670 -183477.1771 -149306.1859 299.1159 -75.3829 -41.2785 558425.4491 -14.8272 -14.9001 PRESSURE: 1465000 -282.138 -30.8655 138.376 -30.8637 -110.496 107.609 138.375 107.61 -55.9852 GPRESSURE: 1465000 -158.005 8.42343 79.3057 -66.7557 -174.984 91.961 154.817 81.7382 -29.3066 PRESSAVG: 1465000 -11.7305 52.1251 -50.9496 52.1251 9.37905 1.4701 -50.9495 1.47014 12.5616 GPRESSAVG: 1465000 -11.3737 52.5034 -51.452 52.7265 9.11527 2.88913 -50.5449 -0.081415 12.0073 TIMING: 1465000 CPU: 4370.98, 0.00303497/step Wall: 4370.98, 0.00303497/step, 2.98017 hours remaining, 207.226562 MB of memory in use. ENERGY: 1465000 739.0294 2029.2750 1933.5704 112.6401 -205996.7623 17535.6834 0.0000 0.0000 34135.1680 -149511.3959 298.1109 -183646.5639 -149415.0792 298.8730 -149.5398 -120.7650 556823.8363 3.4034 3.2496 PRESSURE: 1465200 -0.626655 0.927373 93.3334 0.927096 114.136 23.8379 93.3344 23.837 -222.458 GPRESSURE: 1465200 -2.68788 45.2964 113.359 -60.9067 211.943 -20.8415 75.9908 57.4558 -209.541 PRESSAVG: 1465200 29.4601 37.7489 11.4923 37.7489 -1.81023 55.6384 11.4923 55.6385 -23.1516 GPRESSAVG: 1465200 27.4309 37.1531 9.8205 37.5001 -1.5852 54.2878 11.1158 56.8821 -21.5637 TIMING: 1465200 CPU: 4371.58, 0.00302002/step Wall: 4371.58, 0.00302002/step, 2.96532 hours remaining, 207.351562 MB of memory in use. ENERGY: 1465200 752.7894 2021.4737 1919.2343 112.8898 -206150.5374 17749.1634 0.0000 0.0000 34045.6002 -149549.3867 297.3287 -183594.9869 -149448.1863 298.1159 -36.3163 -0.0950 556196.6541 1.4994 1.4273 PRESSURE: 1465400 -323.677 62.9015 -7.45562 62.9021 -205.437 227.261 -7.45602 227.26 -163.37 GPRESSURE: 1465400 -287.303 99.4101 15.6077 80.8582 -172.807 221.114 -103.483 164.709 -139.034 PRESSAVG: 1465400 -26.6573 2.57299 57.4087 2.5729 31.1034 -19.1765 57.4087 -19.1765 17.5124 GPRESSAVG: 1465400 -25.522 4.39173 62.211 2.87981 31.9998 -19.1319 56.9816 -20.0347 15.2733 TIMING: 1465400 CPU: 4372.18, 0.00301667/step Wall: 4372.18, 0.00301667/step, 2.96187 hours remaining, 207.351562 MB of memory in use. ENERGY: 1465400 804.9358 2020.4206 1912.3765 120.8962 -206114.9037 17694.5298 0.0000 0.0000 34114.1247 -149447.6202 297.9271 -183561.7449 -149357.5157 298.7443 -230.8282 -199.7148 558120.9707 7.3195 7.2504 PRESSURE: 1465600 36.9238 17.4252 -76.646 17.4252 -81.3638 46.9845 -76.6455 46.9835 -177.685 GPRESSURE: 1465600 66.4364 24.1002 -64.8033 -26.1094 -54.2757 -8.60567 -143.073 56.3322 -137.182 PRESSAVG: 1465600 31.2385 -67.9373 -37.1707 -67.9372 16.3499 6.6184 -37.1707 6.61822 -11.283 GPRESSAVG: 1465600 30.5648 -69.8737 -39.7773 -66.6216 15.6454 6.23322 -36.0707 8.60985 -9.8329 TIMING: 1465600 CPU: 4372.79, 0.00301802/step Wall: 4372.79, 0.00301802/step, 2.96303 hours remaining, 207.351562 MB of memory in use. ENERGY: 1465600 705.1111 2023.6810 1914.7916 119.2282 -206330.3564 17780.4158 0.0000 0.0000 34279.7525 -149507.3762 299.3736 -183787.1287 -149413.7582 298.5210 -74.0418 -41.6738 556279.4097 12.1018 12.1258 PRESSURE: 1465800 -36.1249 16.7287 -38.761 16.7281 -5.10948 -80.3704 -38.7614 -80.3718 -12.8393 GPRESSURE: 1465800 -57.7719 15.4385 -116.733 46.3582 0.372819 -185.499 35.1166 18.2544 109.427 PRESSAVG: 1465800 -16.4682 -58.7912 -13.8245 -58.7911 49.3401 70.0176 -13.8245 70.0176 -43.2868 GPRESSAVG: 1465800 -15.9034 -59.222 -13.3331 -59.3721 48.2198 68.9767 -14.8805 67.878 -42.6749 TIMING: 1465800 CPU: 4373.39, 0.00300175/step Wall: 4373.39, 0.00300175/step, 2.94688 hours remaining, 207.351562 MB of memory in use. ENERGY: 1465800 738.7273 2094.9524 1917.7587 105.0861 -206221.4680 17707.7127 0.0000 0.0000 34133.5299 -149523.7010 298.0966 -183657.2309 -149433.9081 298.3749 -18.0246 17.3426 554327.0164 -3.4716 -3.4528 PRESSURE: 1466000 -190.753 -90.0016 68.4483 -90.0009 -287.222 -13.0714 68.4493 -13.0722 -311.901 GPRESSURE: 1466000 -168.863 -152.669 116.584 28.9425 -241.849 76.083 5.114 -62.712 -289.005 PRESSAVG: 1466000 -41.3088 -50.6486 -14.2184 -50.6487 6.70925 9.46812 -14.2185 9.46826 32.3787 GPRESSAVG: 1466000 -42.2005 -49.7451 -14.0334 -50.2741 8.19341 10.916 -15.3368 9.78464 30.9522 TIMING: 1466000 CPU: 4373.99, 0.00302558/step Wall: 4373.99, 0.00302558/step, 2.97011 hours remaining, 207.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1466000 745.4561 2118.4559 1924.0838 112.2365 -205963.3082 17307.9714 0.0000 0.0000 34188.0890 -149567.0156 298.5731 -183755.1046 -149470.5156 298.5486 -263.2923 -233.2390 556038.5662 -0.7403 -1.0183 PRESSURE: 1466200 -157.057 123.374 -197.784 123.374 39.9093 128.374 -197.783 128.373 -221.107 GPRESSURE: 1466200 -148.301 20.5079 -163.755 139.522 110.81 148.98 -175.332 126.777 -213.981 PRESSAVG: 1466200 -2.13988 -36.0154 -76.5302 -36.0154 8.47782 7.11456 -76.5303 7.1146 20.5841 GPRESSAVG: 1466200 -1.54513 -37.8903 -75.2446 -36.2593 7.81614 6.87779 -76.1784 6.72381 20.5644 TIMING: 1466200 CPU: 4374.6, 0.00301388/step Wall: 4374.6, 0.00301388/step, 2.95846 hours remaining, 207.351562 MB of memory in use. ENERGY: 1466200 719.0969 2106.9805 1934.2482 103.4447 -206236.6917 17728.3747 0.0000 0.0000 34092.5323 -149552.0144 297.7386 -183644.5468 -149453.9227 298.3059 -112.7515 -83.8241 557010.0491 8.9740 8.9451 PRESSURE: 1466400 -223.211 96.38 -63.1097 96.38 20.7505 107.338 -63.1103 107.338 -123.029 GPRESSURE: 1466400 -131.278 57.5074 -4.92426 164.797 33.5469 101.899 -70.7528 121.431 -123.679 PRESSAVG: 1466400 21.9861 -22.3761 -41.5008 -22.3762 8.96594 -14.7602 -41.5008 -14.7601 -43.4885 GPRESSAVG: 1466400 22.1403 -20.7232 -42.0446 -23.315 8.00044 -14.3585 -39.6738 -14.4878 -42.8542 TIMING: 1466400 CPU: 4375.2, 0.00303794/step Wall: 4375.2, 0.00303794/step, 2.98191 hours remaining, 207.351562 MB of memory in use. ENERGY: 1466400 786.9045 2056.7414 1953.4991 109.9221 -206037.6942 17594.3844 0.0000 0.0000 33925.6366 -149610.6061 296.2810 -183536.2428 -149516.8220 297.9341 -108.4965 -73.8034 556788.1196 -4.1788 -4.2378 PRESSURE: 1466600 106.581 91.9941 -74.6592 91.9934 143.948 112.007 -74.6577 112.007 20.183 GPRESSURE: 1466600 173.842 51.26 -129.769 185.44 217.57 145.805 -44.1973 105.668 -21.0752 PRESSAVG: 1466600 47.6522 13.481 10.3338 13.4809 20.075 13.9157 10.3338 13.9158 -68.7911 GPRESSAVG: 1466600 47.8127 14.334 9.14144 14.9481 21.3881 14.2599 8.14882 13.3214 -70.6909 TIMING: 1466600 CPU: 4375.81, 0.00303958/step Wall: 4375.81, 0.00303958/step, 2.98335 hours remaining, 207.351562 MB of memory in use. ENERGY: 1466600 734.5430 2078.6785 1950.4411 102.8715 -206978.4153 18254.3984 0.0000 0.0000 34253.7456 -149603.7371 299.1465 -183857.4827 -149507.3307 297.4519 90.2375 123.4453 556515.4078 -0.3547 -0.4967 PRESSURE: 1466800 59.5369 83.424 38.5208 83.424 5.68277 -72.5899 38.523 -72.5904 71.4099 GPRESSURE: 1466800 18.9397 116.922 112.287 -2.76631 41.8703 -83.3386 27.1276 -124.931 157.25 PRESSAVG: 1466800 -1.93811 5.9015 45.367 5.90153 9.20302 27.097 45.367 27.0969 11.7465 GPRESSAVG: 1466800 -2.83075 4.24533 47.0101 5.68091 8.69184 25.972 46.3719 28.7997 12.7795 TIMING: 1466800 CPU: 4376.42, 0.00303765/step Wall: 4376.42, 0.00303765/step, 2.98128 hours remaining, 207.351562 MB of memory in use. ENERGY: 1466800 740.1759 2101.9643 1902.5953 106.9650 -206487.5115 18118.5948 0.0000 0.0000 33861.4103 -149655.8060 295.7201 -183517.2163 -149560.5155 297.6839 45.5432 72.6868 557307.5225 6.3371 6.2135 PRESSURE: 1467000 -195.682 -86.6084 72.8964 -86.6087 -374.877 -20.6656 72.8969 -20.6656 -271.331 GPRESSURE: 1467000 -175.229 -86.266 -22.3855 -58.3787 -329.08 21.6417 135.543 -42.8192 -233.183 PRESSAVG: 1467000 63.8003 -13.2849 -62.1335 -13.2849 -55.6397 -18.7406 -62.1334 -18.7406 9.50183 GPRESSAVG: 1467000 64.3291 -12.5664 -64.247 -14.3778 -54.7093 -18.265 -60.3709 -19.3705 8.30935 TIMING: 1467000 CPU: 4377.02, 0.00299565/step Wall: 4377.02, 0.00299565/step, 2.9399 hours remaining, 207.351562 MB of memory in use. ENERGY: 1467000 771.0820 2052.7822 1937.2338 119.2428 -205796.4168 17412.5679 0.0000 0.0000 33992.6471 -149510.8611 296.8662 -183503.5082 -149413.8137 297.9514 -280.6301 -245.8307 558066.2743 5.8875 5.9764 PRESSURE: 1467200 -44.9995 -75.4318 -20.3065 -75.4324 -60.4083 38.8927 -20.3071 38.8921 -98.115 GPRESSURE: 1467200 46.2207 -96.6734 -52.91 -68.4391 -52.5292 -39.888 53.9226 70.3074 -97.8132 PRESSAVG: 1467200 -44.6326 -32.5915 -13.7448 -32.5916 57.7892 -21.3196 -13.7449 -21.3197 4.32427 GPRESSAVG: 1467200 -44.014 -32.3291 -14.5902 -33.184 57.2178 -20.7654 -13.5797 -20.7292 4.41592 TIMING: 1467200 CPU: 4377.62, 0.00300381/step Wall: 4377.62, 0.00300381/step, 2.94774 hours remaining, 207.351562 MB of memory in use. ENERGY: 1467200 748.3077 2111.6348 1951.0952 123.0736 -206544.4627 17918.4176 0.0000 0.0000 34047.5299 -149644.4038 297.3455 -183691.9337 -149557.6491 298.3769 -67.8410 -34.7072 556768.4335 5.8269 5.8732 PRESSURE: 1467400 380.284 -90.8388 61.9607 -90.8386 257.834 -27.9486 61.9603 -27.9482 96.754 GPRESSURE: 1467400 312.701 -113.903 138.238 -99.6292 306.623 55.7836 79.2051 -97.5815 204.749 PRESSAVG: 1467400 -14.8744 -28.9198 70.4512 -28.9198 84.4541 -2.43842 70.4512 -2.43833 -19.6059 GPRESSAVG: 1467400 -15.0617 -29.5207 71.5809 -27.8896 83.8449 -3.73517 70.3588 -3.35845 -19.0089 TIMING: 1467400 CPU: 4378.22, 0.00298929/step Wall: 4378.22, 0.00298929/step, 2.93332 hours remaining, 207.351562 MB of memory in use. ENERGY: 1467400 719.3924 2100.5270 1927.2404 106.7690 -207103.0198 18321.0333 0.0000 0.0000 34129.7443 -149798.3135 298.0635 -183928.0578 -149698.5962 298.2873 244.9573 274.6912 556129.4988 16.6579 16.5914 PRESSURE: 1467600 66.1753 -5.00247 111.995 -5.00165 101.654 -222.121 111.995 -222.12 -57.0764 GPRESSURE: 1467600 76.8953 -2.45047 160.289 22.0551 156.056 -200.484 52.359 -216.835 -27.8944 PRESSAVG: 1467600 2.93198 10.5621 59.3556 10.5621 0.493521 -13.4521 59.3556 -13.4521 62.574 GPRESSAVG: 1467600 1.67414 8.9008 59.135 12.4848 1.56842 -11.9346 58.2296 -12.9937 62.5165 TIMING: 1467600 CPU: 4378.82, 0.00303944/step Wall: 4378.82, 0.00303943/step, 2.98236 hours remaining, 207.351562 MB of memory in use. ENERGY: 1467600 691.5791 2085.6881 1914.6848 109.5473 -206614.1829 17829.8720 0.0000 0.0000 34052.3899 -149930.4218 297.3880 -183982.8116 -149830.2519 297.6701 36.9175 68.3524 556245.5990 21.9998 21.9197 PRESSURE: 1467800 -169.466 -114.119 9.42983 -114.119 -89.2187 -33.0405 9.43006 -33.0416 -101.208 GPRESSURE: 1467800 -133.916 -95.9751 -55.2424 -127.027 -73.2688 -30.152 -19.817 -59.1523 -55.6139 PRESSAVG: 1467800 18.2707 -45.6925 -1.16278 -45.6924 11.7695 5.16075 -1.16276 5.16072 -17.3691 GPRESSAVG: 1467800 18.6282 -43.857 -1.4718 -48.2322 11.4667 3.88297 -0.0513876 5.47152 -17.662 TIMING: 1467800 CPU: 4379.43, 0.00304557/step Wall: 4379.43, 0.00304557/step, 2.98821 hours remaining, 207.351562 MB of memory in use. ENERGY: 1467800 743.3402 2116.2926 1908.3199 108.9019 -206409.7320 17779.5617 0.0000 0.0000 33945.7831 -149807.5325 296.4570 -183753.3155 -149719.2667 297.2306 -119.9644 -87.5996 557747.0135 4.2237 4.1443 PRESSURE: 1468000 13.4371 -60.0389 -12.8111 -60.0393 -123.915 174.456 -12.8112 174.457 -131.274 GPRESSURE: 1468000 -6.11709 -70.1545 -40.1545 -56.2833 -75.0114 207.869 38.7506 146.25 -68.2948 PRESSAVG: 1468000 0.748669 -26.7666 -34.7764 -26.7666 47.1402 3.86994 -34.7764 3.87012 -17.7107 GPRESSAVG: 1468000 0.681713 -26.1639 -33.2446 -26.6277 47.0279 7.44799 -34.6915 2.57964 -17.8941 TIMING: 1468000 CPU: 4380.04, 0.00301343/step Wall: 4380.04, 0.00301343/step, 2.95651 hours remaining, 207.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1468000 733.8617 2049.7830 1917.2357 124.5760 -206510.5693 17848.6765 0.0000 0.0000 34271.6246 -149564.8117 299.3026 -183836.4363 -149471.9277 298.1868 -80.5840 -49.8078 556496.6804 10.0594 9.9385 PRESSURE: 1468200 -194.498 -182.65 -37.5611 -182.649 22.1068 -97.1305 -37.5604 -97.1308 -50.0793 GPRESSURE: 1468200 -170.449 -157.703 -37.3967 -164.242 52.9823 -164.152 5.73645 -42.6341 -15.8904 PRESSAVG: 1468200 19.6358 53.1432 20.7822 53.1432 -12.3393 -22.9396 20.7823 -22.9397 -22.3652 GPRESSAVG: 1468200 19.2143 54.198 19.4955 52.9004 -13.4424 -25.0508 19.2578 -22.7225 -20.7135 TIMING: 1468200 CPU: 4380.63, 0.00298561/step Wall: 4380.63, 0.00298561/step, 2.92905 hours remaining, 207.351562 MB of memory in use. ENERGY: 1468200 733.6391 2091.1297 1935.4980 113.3968 -206531.9562 17734.5506 0.0000 0.0000 34161.2457 -149762.4963 298.3387 -183923.7420 -149667.4806 298.2071 -74.1569 -44.4524 557802.2683 -5.0229 -4.9805 LDB: ============= START OF LOAD BALANCING ============== 4384.19 LDB: ============== END OF LOAD BALANCING =============== 4384.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4384.19 LDB: ============= START OF LOAD BALANCING ============== 4384.49 LDB: Largest compute 4796 load 0.026467 is 22.4% of average load 0.118356 LDB: Average compute 0.001731 is 1.5% of average load 0.118356 LDB: TIME 4384.49 LOAD: AVG 0.118356 MAX 0.214522 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.352 MB LDB: TIME 4384.49 LOAD: AVG 0.118356 MAX 0.214522 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: TIME 4384.49 LOAD: AVG 0.118356 MAX 0.214522 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4384.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4384.5 PRESSURE: 1468400 -50.4116 -32.12 -10.0203 -32.119 135.282 57.8014 -10.0191 57.802 382.529 GPRESSURE: 1468400 14.1502 -61.81 -13.8956 -40.9749 145.536 50.1897 -24.1832 79.2027 403.008 PRESSAVG: 1468400 -27.3056 5.2878 0.60566 5.28779 -8.03984 3.72729 0.60564 3.72728 11.3746 GPRESSAVG: 1468400 -26.3553 2.50375 1.15622 6.84648 -6.92056 1.35457 1.92023 5.91202 9.15288 TIMING: 1468400 CPU: 4381.25, 0.00307188/step Wall: 4381.25, 0.00307188/step, 3.01351 hours remaining, 207.023438 MB of memory in use. ENERGY: 1468400 770.2676 2042.3092 1914.3894 105.2699 -206666.6249 18026.3582 0.0000 0.0000 34228.0714 -149579.9591 298.9223 -183808.0305 -149485.4580 297.7823 155.7999 187.5648 555187.7499 -7.9903 -8.0410 PRESSURE: 1468600 5.97753 -82.5988 -41.4989 -82.5977 -250.593 -53.597 -41.4983 -53.5979 -194.145 GPRESSURE: 1468600 40.8148 32.782 -165.434 -30.6528 -215.672 85.458 -22.5759 -95.8361 -162.148 PRESSAVG: 1468600 -26.4371 39.0567 -7.85992 39.0567 -33.0305 -56.311 -7.85996 -56.3109 20.4414 GPRESSAVG: 1468600 -26.8954 41.0967 -8.76334 40.1102 -33.5099 -55.771 -9.53911 -58.7905 20.4697 TIMING: 1468600 CPU: 4381.84, 0.00297587/step Wall: 4381.84, 0.00297587/step, 2.91917 hours remaining, 207.023438 MB of memory in use. ENERGY: 1468600 715.1703 2025.9170 1919.1831 117.2088 -206322.1017 17586.1320 0.0000 0.0000 34206.6996 -149751.7908 298.7356 -183958.4904 -149650.5337 297.9011 -146.2533 -112.3351 556154.2821 -13.0088 -13.3119 PRESSURE: 1468800 96.7962 -67.1003 32.0587 -67.1006 88.0388 -42.6939 32.0596 -42.6948 -73.6592 GPRESSURE: 1468800 166.844 -94.872 47.8785 -69.1584 67.175 -17.737 -7.12806 56.8228 -11.1758 PRESSAVG: 1468800 37.8941 36.4928 -16.2088 36.4928 16.4476 45.8187 -16.2088 45.8186 -34.9625 GPRESSAVG: 1468800 37.8561 35.949 -14.062 34.122 15.8324 47.2875 -14.3305 45.6067 -34.7761 TIMING: 1468800 CPU: 4382.45, 0.00301123/step Wall: 4382.45, 0.00301123/step, 2.95368 hours remaining, 207.023438 MB of memory in use. ENERGY: 1468800 771.8926 2073.8636 1923.9905 109.7657 -206464.8490 17891.2028 0.0000 0.0000 34014.5657 -149679.5681 297.0577 -183694.1338 -149590.8612 298.4012 37.0586 74.2812 556220.1679 6.4598 6.3041 PRESSURE: 1469000 112.662 25.33 -109.667 25.3305 129.461 -15.8054 -109.666 -15.8044 39.7321 GPRESSURE: 1469000 135.868 4.10558 -177.693 -43.8289 144.758 -30.3739 -122.4 -27.6818 101.854 PRESSAVG: 1469000 20.3906 -46.4067 -27.2509 -46.4067 7.65586 44.2192 -27.2509 44.2192 -1.22266 GPRESSAVG: 1469000 20.0493 -46.5043 -27.8787 -46.1153 8.39236 40.8089 -28.5524 45.9717 -1.35176 TIMING: 1469000 CPU: 4383.04, 0.00298479/step Wall: 4383.04, 0.00298479/step, 2.92758 hours remaining, 207.023438 MB of memory in use. ENERGY: 1469000 768.0544 2025.8991 1923.6427 110.4179 -206669.9598 18128.0401 0.0000 0.0000 34079.3698 -149634.5358 297.6236 -183713.9056 -149539.3310 298.1988 93.9519 127.4931 557570.8643 8.9413 9.0300 PRESSURE: 1469200 -153.521 103.847 151.779 103.847 -214.743 128.516 151.78 128.515 -95.85 GPRESSURE: 1469200 -87.5669 89.0918 165.684 118.756 -192.161 197.81 136.379 150.379 -81.2633 PRESSAVG: 1469200 -7.5636 10.8118 0.669116 10.8117 37.8595 10.8163 0.669103 10.8164 23.5743 GPRESSAVG: 1469200 -6.92568 10.8383 1.79985 11.9459 36.4192 13.7027 -0.299321 8.77584 24.2935 TIMING: 1469200 CPU: 4383.64, 0.00297703/step Wall: 4383.64, 0.00297703/step, 2.9198 hours remaining, 207.023438 MB of memory in use. ENERGY: 1469200 710.8202 2031.8940 1957.6088 116.6665 -206331.4445 17702.1174 0.0000 0.0000 34106.7338 -149705.6037 297.8626 -183812.3376 -149608.1685 298.3465 -154.7046 -120.3305 558976.3219 17.9567 17.9290 PRESSURE: 1469400 336.463 92.1683 7.58232 92.1663 -180.286 -185.507 7.58169 -185.508 -88.127 GPRESSURE: 1469400 348.531 79.6719 24.0346 23.2375 -109.921 -180.207 -9.91133 -128.591 -69.2578 PRESSAVG: 1469400 10.4513 -3.8729 39.2791 -3.87295 -21.9933 -6.60825 39.2792 -6.60825 3.99692 GPRESSAVG: 1469400 10.8385 -5.15802 34.8131 -2.4833 -21.3217 -7.51664 40.763 -4.66514 2.65875 TIMING: 1469400 CPU: 4384.23, 0.00296865/step Wall: 4384.23, 0.00296865/step, 2.91142 hours remaining, 207.023438 MB of memory in use. ENERGY: 1469400 750.2591 2063.0935 1918.1733 101.3929 -206701.9053 18102.4843 0.0000 0.0000 34157.3955 -149609.1066 298.3050 -183766.5022 -149505.0971 297.6124 22.6832 56.4508 558374.0345 -2.5150 -2.6082 PRESSURE: 1469600 -102.916 -125.602 -25.7534 -125.601 -138.8 -55.7076 -25.7541 -55.7065 -260.3 GPRESSURE: 1469600 -47.2528 -127.639 -52.0933 -105.885 -125.939 38.3568 -27.209 -117.295 -241.508 PRESSAVG: 1469600 -10.08 9.56998 13.6518 9.57006 -21.2445 -10.5372 13.6518 -10.5373 34.0381 GPRESSAVG: 1469600 -11.0269 11.6325 17.169 7.30977 -21.8537 -10.3718 13.0255 -12.3519 35.0831 TIMING: 1469600 CPU: 4384.83, 0.00297769/step Wall: 4384.83, 0.0029777/step, 2.92013 hours remaining, 207.023438 MB of memory in use. ENERGY: 1469600 754.1474 2107.8235 1921.9808 105.8829 -206262.2388 17734.7632 0.0000 0.0000 34075.1379 -149562.5030 297.5867 -183637.6409 -149460.6756 298.5355 -167.3388 -138.2331 557581.8944 0.9045 0.7341 PRESSURE: 1469800 143.346 -3.05769 -14.4018 -3.05663 -61.005 -24.3282 -14.402 -24.329 234.211 GPRESSURE: 1469800 143.708 14.3487 20.9999 54.9327 -18.733 -46.1051 8.92958 58.8912 298.376 PRESSAVG: 1469800 12.9863 -10.3159 -23.6106 -10.3158 -35.0115 21.0503 -23.6104 21.0504 20.0486 GPRESSAVG: 1469800 12.7997 -10.2542 -22.9243 -11.4763 -35.34 19.9354 -23.8159 22.7848 20.0851 TIMING: 1469800 CPU: 4385.43, 0.00299016/step Wall: 4385.43, 0.00299016/step, 2.93219 hours remaining, 207.023438 MB of memory in use. ENERGY: 1469800 703.8218 2071.1661 1911.3663 106.0184 -206456.5112 18056.5450 0.0000 0.0000 34292.7040 -149314.8896 299.4867 -183607.5936 -149218.0165 298.5624 105.5175 141.1172 555666.7220 -0.6589 -0.8184 PRESSURE: 1470000 29.4101 -87.558 71.8949 -87.5593 -157.283 68.0945 71.8964 68.0934 102.951 GPRESSURE: 1470000 54.3742 -204.305 64.7075 9.60373 -77.7116 62.0159 129.966 -1.33996 99.523 PRESSAVG: 1470000 37.6465 16.5503 25.4687 16.5503 33.9478 3.66079 25.4687 3.6608 -34.3802 GPRESSAVG: 1470000 38.1125 15.57 24.9878 17.1364 34.8191 3.49 26.9609 3.51865 -34.9157 TIMING: 1470000 CPU: 4386.02, 0.00299177/step Wall: 4386.02, 0.00299177/step, 2.93359 hours remaining, 207.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1470000 755.9620 2018.6907 1903.0534 114.7145 -206271.6533 17860.9794 0.0000 0.0000 34187.1791 -149431.0743 298.5651 -183618.2534 -149342.1340 299.0413 -8.3074 25.3952 555878.5736 12.4047 12.6720 PRESSURE: 1470200 -85.5076 68.943 -4.6484 68.9421 41.1777 -44.2979 -4.64872 -44.2973 -225.746 GPRESSURE: 1470200 -51.5513 140.22 92.8556 1.80707 69.0478 -21.3471 -42.8553 -18.7426 -193.058 PRESSAVG: 1470200 -57.6744 -6.54623 108.466 -6.54617 16.9293 -2.66876 108.466 -2.66895 32.3013 GPRESSAVG: 1470200 -59.0007 -5.45371 108.009 -6.10715 16.8539 -2.63099 108.62 -3.40126 33.5551 TIMING: 1470200 CPU: 4386.62, 0.00300693/step Wall: 4386.62, 0.00300693/step, 2.9483 hours remaining, 207.023438 MB of memory in use. ENERGY: 1470200 730.4993 2010.0959 1931.5878 104.2996 -206436.9546 17856.8560 0.0000 0.0000 34197.6941 -149605.9218 298.6570 -183803.6159 -149510.1016 298.1558 -90.0253 -58.5204 557118.1714 -2.8146 -2.8639 PRESSURE: 1470400 6.14299 -150.667 15.8417 -150.666 278.214 -73.8265 15.8414 -73.8279 211.981 GPRESSURE: 1470400 45.5259 -183.139 -48.7145 -151.311 291.204 -85.6785 -50.0029 -110.547 247.927 PRESSAVG: 1470400 -45.3182 70.0134 -16.3441 70.0134 60.691 16.138 -16.344 16.1379 -17.29 GPRESSAVG: 1470400 -44.9673 70.2338 -15.0379 70.048 60.3567 18.186 -17.9177 14.6576 -17.7441 TIMING: 1470400 CPU: 4387.23, 0.00301222/step Wall: 4387.23, 0.00301222/step, 2.95331 hours remaining, 207.023438 MB of memory in use. ENERGY: 1470400 729.9714 2072.4289 1962.0086 119.9907 -206800.5017 18177.0230 0.0000 0.0000 34100.1208 -149638.9582 297.8048 -183739.0791 -149543.6034 298.4818 165.4461 194.8858 556780.1097 -0.6391 -0.7849 PRESSURE: 1470600 -125.656 65.7091 73.3856 65.7092 -163.317 4.20978 73.3855 4.20913 -121.705 GPRESSURE: 1470600 -40.2619 35.3153 -52.3688 37.9018 -95.5548 -18.4653 137.28 -19.698 -182.301 PRESSAVG: 1470600 -32.548 7.7644 -3.01092 7.76436 72.2542 11.2527 -3.01097 11.2527 -40.7293 GPRESSAVG: 1470600 -32.6227 5.21327 -4.11991 6.91224 72.2007 10.243 -1.95159 12.069 -40.6877 TIMING: 1470600 CPU: 4387.83, 0.00303201/step Wall: 4387.83, 0.00303201/step, 2.97255 hours remaining, 207.023438 MB of memory in use. ENERGY: 1470600 749.8019 2085.4172 1930.8784 116.9064 -206440.6667 17632.8676 0.0000 0.0000 34406.6879 -149518.1072 300.4822 -183924.7951 -149420.6279 298.7664 -136.8926 -106.0394 557018.9592 -0.3410 -0.3699 PRESSURE: 1470800 -211.863 254.445 18.9906 254.444 20.7747 -23.251 18.9888 -23.25 -259.236 GPRESSURE: 1470800 -211.821 181.504 23.3235 261.364 58.1949 47.4842 63.505 -87.8156 -188.645 PRESSAVG: 1470800 11.3608 11.235 23.2883 11.2351 28.0878 -24.8864 23.2882 -24.8864 -81.3066 GPRESSAVG: 1470800 12.028 13.0495 24.312 10.7105 27.7106 -23.9968 24.0381 -25.419 -81.3895 TIMING: 1470800 CPU: 4388.44, 0.00301349/step Wall: 4388.44, 0.00301349/step, 2.95423 hours remaining, 207.023438 MB of memory in use. ENERGY: 1470800 814.0275 2108.7034 1931.9416 127.3988 -206785.1842 17932.6055 0.0000 0.0000 34360.5957 -149509.9116 300.0796 -183870.5072 -149415.0244 298.8718 -150.1082 -114.0902 557869.3997 -13.9527 -13.8836 PRESSURE: 1471000 10.5419 21.6426 -194.831 21.6414 -76.3482 101.274 -194.831 101.274 -249.524 GPRESSURE: 1471000 12.0619 62.7046 -243.101 28.69 39.5633 131.71 -183.961 121.413 -269.696 PRESSAVG: 1471000 5.1745 27.1142 4.43469 27.1142 -17.5885 -21.5319 4.43467 -21.5319 -3.7439 GPRESSAVG: 1471000 4.08081 26.9732 3.47655 29.3691 -17.4483 -21.5634 3.37809 -21.637 -3.4542 TIMING: 1471000 CPU: 4389.03, 0.00298199/step Wall: 4389.03, 0.00298199/step, 2.92318 hours remaining, 207.023438 MB of memory in use. ENERGY: 1471000 768.1465 2112.2588 1905.3541 108.1007 -206425.0401 17910.8901 0.0000 0.0000 34212.6940 -149407.5960 298.7880 -183620.2901 -149319.3431 299.2032 -105.1101 -72.6902 557121.8078 -5.3860 -5.6072 PRESSURE: 1471200 -9.62288 2.14074 177.121 2.1396 -118.26 -15.7042 177.121 -15.7044 -60.3981 GPRESSURE: 1471200 11.6291 29.8211 226.686 25.7746 -60.0192 46.7527 119.839 -39.9956 -43.9292 PRESSAVG: 1471200 23.0051 -14.1537 19.1204 -14.1536 40.8808 36.5102 19.1203 36.5104 -78.4585 GPRESSAVG: 1471200 22.9294 -14.6183 17.5815 -14.0109 41.5539 35.5008 18.0947 38.0872 -79.0261 TIMING: 1471200 CPU: 4389.64, 0.00305384/step Wall: 4389.64, 0.00305384/step, 2.99345 hours remaining, 207.023438 MB of memory in use. ENERGY: 1471200 767.6329 2143.6363 1903.3681 126.8154 -206068.6916 17660.8621 0.0000 0.0000 34178.6918 -149287.6850 298.4910 -183466.3768 -149195.0869 299.2281 -62.7604 -30.7731 556765.6334 -4.8575 -4.8476 PRESSURE: 1471400 -72.6508 -0.59196 -62.9268 -0.591239 -185.896 78.8362 -62.9276 78.8367 0.604752 GPRESSURE: 1471400 6.24682 10.2207 -86.8611 30.2435 -185.659 125.478 -165.731 85.7627 38.0208 PRESSAVG: 1471400 -62.9204 -2.29837 30.7519 -2.29829 18.774 13.1577 30.7519 13.1576 21.2227 GPRESSAVG: 1471400 -61.4703 -4.15253 31.2252 -2.47358 18.3666 15.0851 31.7142 10.5929 20.4243 TIMING: 1471400 CPU: 4390.25, 0.00304761/step Wall: 4390.25, 0.00304761/step, 2.98716 hours remaining, 207.023438 MB of memory in use. ENERGY: 1471400 724.4427 2070.1172 1943.4458 127.9324 -205707.0092 17554.7377 0.0000 0.0000 33990.3319 -149296.0013 296.8460 -183286.3332 -149199.9485 299.2129 -85.9808 -47.1304 557127.5504 -7.6412 -7.5598 PRESSURE: 1471600 -72.5894 -133.201 100.751 -133.201 -246.58 -44.9767 100.75 -44.9755 -223.441 GPRESSURE: 1471600 -82.5415 -154.319 101.435 -195.748 -119.669 -66.0643 70.5042 23.6695 -228.519 PRESSAVG: 1471600 13.6662 -53.0088 -65.3278 -53.0089 -23.5792 31.1142 -65.3278 31.1143 12.5398 GPRESSAVG: 1471600 12.237 -51.8321 -64.8569 -51.7865 -23.0726 29.6886 -65.2814 33.0832 13.6138 TIMING: 1471600 CPU: 4390.86, 0.00301702/step Wall: 4390.86, 0.00301702/step, 2.95701 hours remaining, 207.023438 MB of memory in use. ENERGY: 1471600 731.3888 2035.4184 1926.1704 111.3951 -205815.9463 17512.6670 0.0000 0.0000 34096.4754 -149402.4312 297.7730 -183498.9066 -149304.5690 299.4708 -180.8702 -143.5766 558667.3434 0.8756 0.9261 PRESSURE: 1471800 -43.1282 -88.5835 123.096 -88.5846 70.8009 88.6246 123.096 88.6263 -157.969 GPRESSURE: 1471800 -2.833 -51.4809 81.1439 -86.231 127.278 74.617 82.09 19.8296 -148.654 PRESSAVG: 1471800 -37.424 3.08378 25.47 3.08386 9.17987 43.8011 25.4701 43.8012 37.7643 GPRESSAVG: 1471800 -37.7579 5.59362 24.0616 0.400131 8.54383 42.3108 27.658 44.185 38.5031 TIMING: 1471800 CPU: 4391.46, 0.00301153/step Wall: 4391.46, 0.00301153/step, 2.95147 hours remaining, 207.023438 MB of memory in use. ENERGY: 1471800 734.5872 2050.2944 1931.2004 119.3978 -205963.4680 17692.4503 0.0000 0.0000 34051.5370 -149384.0009 297.3805 -183435.5379 -149285.7031 299.0687 -43.4321 -8.0697 555737.6920 3.1734 3.0963 PRESSURE: 1472000 -67.2973 154.279 -56.9885 154.281 36.1554 -45.3642 -56.9885 -45.3656 -267.373 GPRESSURE: 1472000 -14.074 151.854 -28.9172 149.123 41.1568 -36.41 -42.7384 -83.0647 -216.297 PRESSAVG: 1472000 -20.0059 -17.5713 16.0047 -17.5713 5.96441 45.8309 16.0048 45.8309 34.2571 GPRESSAVG: 1472000 -19.697 -20.5394 17.3557 -15.6907 6.36595 46.7803 13.335 45.2285 33.1802 TIMING: 1472000 CPU: 4392.06, 0.00299491/step Wall: 4392.06, 0.00299491/step, 2.93501 hours remaining, 207.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1472000 748.2183 2046.2396 1944.0107 117.1669 -206184.6611 17608.2843 0.0000 0.0000 34212.1760 -149508.5653 298.7834 -183720.7413 -149415.4481 298.9563 -99.5051 -63.0716 556436.9715 6.7386 6.6164 PRESSURE: 1472200 302.041 -32.058 107.392 -32.0585 75.6704 -13.658 107.393 -13.6576 -27.1624 GPRESSURE: 1472200 321.792 16.7888 36.593 23.3121 135.358 -22.8977 92.0836 -72.109 5.4441 PRESSAVG: 1472200 19.1373 2.79485 73.9286 2.79479 -15.5607 48.9028 73.9285 48.9029 -15.211 GPRESSAVG: 1472200 19.3996 3.01371 72.3772 1.68294 -15.7351 48.0697 74.5704 49.8507 -15.1748 TIMING: 1472200 CPU: 4392.65, 0.00297121/step Wall: 4392.65, 0.00297121/step, 2.91162 hours remaining, 207.023438 MB of memory in use. ENERGY: 1472200 733.3831 2060.0084 1901.4157 110.0196 -206799.9840 18145.2896 0.0000 0.0000 34368.3323 -149481.5352 300.1472 -183849.8675 -149389.9089 299.1564 116.8496 154.1980 556437.8651 -3.8782 -3.8368 LDB: ============= START OF LOAD BALANCING ============== 4396.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4396.2 LDB: =============== DONE WITH MIGRATION ================ 4396.2 LDB: ============= START OF LOAD BALANCING ============== 4396.5 LDB: Largest compute 4796 load 0.027159 is 23.0% of average load 0.118198 LDB: Average compute 0.001736 is 1.5% of average load 0.118198 LDB: TIME 4396.5 LOAD: AVG 0.118198 MAX 0.214705 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 4396.5 LOAD: AVG 0.118198 MAX 0.214705 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: TIME 4396.5 LOAD: AVG 0.118198 MAX 0.214705 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: ============== END OF LOAD BALANCING =============== 4396.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4396.51 PRESSURE: 1472400 -228.196 -120.04 -96.6083 -120.039 136.439 -150.47 -96.6076 -150.472 -262.397 GPRESSURE: 1472400 -192.341 -94.358 -31.5472 -126.655 160.327 -119.219 -125.468 -120.731 -216.509 PRESSAVG: 1472400 -9.12346 -12.4355 41.3213 -12.4354 55.599 52.7063 41.3214 52.7063 -31.4663 GPRESSAVG: 1472400 -9.78539 -13.1464 43.5893 -8.84302 55.9603 53.2912 40.331 51.1252 -30.9947 TIMING: 1472400 CPU: 4393.26, 0.0030305/step Wall: 4393.26, 0.0030305/step, 2.96956 hours remaining, 208.253906 MB of memory in use. ENERGY: 1472400 782.7221 2033.8918 1928.1990 105.1084 -206432.0386 17753.8141 0.0000 0.0000 34217.6487 -149610.6546 298.8312 -183828.3033 -149511.8367 298.9564 -118.0514 -82.8412 557494.5723 5.0031 5.0601 PRESSURE: 1472600 91.7953 -21.715 -23.4351 -21.716 285.945 -141.785 -23.4346 -141.785 -412.213 GPRESSURE: 1472600 116.751 -27.3074 -5.94062 -105.769 328.179 -109.598 -53.1712 -136.506 -379.067 PRESSAVG: 1472600 -27.7299 -39.5262 -23.5287 -39.5262 -21.8468 -71.1489 -23.5287 -71.149 -9.64449 GPRESSAVG: 1472600 -28.1722 -34.9835 -24.804 -41.735 -22.7791 -71.0715 -21.7954 -69.5015 -8.53916 TIMING: 1472600 CPU: 4393.86, 0.00299178/step Wall: 4393.86, 0.00299178/step, 2.93145 hours remaining, 208.253906 MB of memory in use. ENERGY: 1472600 745.4827 2093.1589 1934.3406 117.0616 -206192.8410 17728.0231 0.0000 0.0000 34129.6876 -149445.0866 298.0631 -183574.7742 -149348.2703 298.7073 -11.4908 21.9542 558145.4678 -19.7404 -19.8302 PRESSURE: 1472800 1.43129 -155.471 21.5198 -155.47 69.482 -12.4554 21.5206 -12.4568 59.8379 GPRESSURE: 1472800 55.273 -105.024 -37.6285 -150.785 94.7394 -13.5535 -5.87768 -25.1694 86.3335 PRESSAVG: 1472800 -29.5963 -27.1889 5.04628 -27.1889 53.7647 -48.8248 5.04633 -48.8248 -23.0673 GPRESSAVG: 1472800 -29.6243 -29.6879 6.02746 -27.1244 55.3361 -47.5902 2.57924 -51.0357 -24.6312 TIMING: 1472800 CPU: 4394.46, 0.00299796/step Wall: 4394.46, 0.00299796/step, 2.93733 hours remaining, 208.253906 MB of memory in use. ENERGY: 1472800 787.2865 2132.3239 1907.7434 131.4947 -206331.8249 17848.3292 0.0000 0.0000 34133.5360 -149391.1112 298.0967 -183524.6472 -149292.2999 298.1116 43.5837 78.7820 556518.1835 0.3670 0.3602 PRESSURE: 1473000 -23.1028 -99.2575 85.3296 -99.2588 -150.366 -72.5974 85.3285 -72.5971 60.4711 GPRESSURE: 1473000 46.0362 -22.9211 46.307 -98.8365 -95.0415 -131.866 143.778 -54.4731 29.4838 PRESSAVG: 1473000 -69.4035 -38.6461 13.1009 -38.6462 10.7531 -41.2529 13.101 -41.2529 35.1985 GPRESSAVG: 1473000 -69.5711 -39.7693 13.0741 -38.8313 9.85214 -41.3069 14.696 -42.1889 36.0828 TIMING: 1473000 CPU: 4395.05, 0.00298401/step Wall: 4395.05, 0.00298401/step, 2.9235 hours remaining, 208.253906 MB of memory in use. ENERGY: 1473000 762.8355 2094.1100 1908.3994 113.9896 -206184.5737 17772.5393 0.0000 0.0000 34278.3987 -149254.3013 299.3618 -183532.7000 -149161.0361 299.6301 -37.6660 -6.5072 558725.7252 -7.8173 -7.8787 PRESSURE: 1473200 -139.239 72.824 -5.64514 72.8236 -151.116 -46.2215 -5.64622 -46.2206 -145.075 GPRESSURE: 1473200 -107.721 73.9686 -18.8514 33.6512 -120.706 -34.8073 -71.9521 13.0938 -108.714 PRESSAVG: 1473200 32.3035 -20.5028 63.9857 -20.5027 -46.4322 -0.593811 63.9856 -0.593763 18.4143 GPRESSAVG: 1473200 32.2427 -18.6913 62.4473 -21.3729 -47.2521 -0.86639 64.2474 0.351109 18.9914 TIMING: 1473200 CPU: 4395.65, 0.00298125/step Wall: 4395.65, 0.00298125/step, 2.92063 hours remaining, 208.253906 MB of memory in use. ENERGY: 1473200 754.0472 2052.6942 1947.6860 122.5176 -206009.6819 17713.4289 0.0000 0.0000 34023.9017 -149395.4063 297.1392 -183419.3080 -149301.0724 298.9492 -145.1434 -112.3802 558689.5019 1.4286 1.3273 PRESSURE: 1473400 10.3515 158.695 210.133 158.694 166.841 134.967 210.133 134.967 227.465 GPRESSURE: 1473400 63.2513 132.21 146.924 41.9223 180.777 154.877 313.716 69.5967 255.008 PRESSAVG: 1473400 -59.5268 -6.0205 8.40273 -6.02047 -15.9039 1.8501 8.40278 1.85004 82.8781 GPRESSAVG: 1473400 -58.385 -9.58479 8.3734 -4.22975 -15.1545 -0.0138577 9.31069 0.0336059 81.1585 TIMING: 1473400 CPU: 4396.25, 0.00300138/step Wall: 4396.25, 0.00300138/step, 2.94018 hours remaining, 208.253906 MB of memory in use. ENERGY: 1473400 708.0576 2075.5451 1932.5904 109.2762 -206231.8611 17902.6668 0.0000 0.0000 34210.7864 -149292.9387 298.7713 -183503.7250 -149194.8547 299.0422 134.8861 166.3454 558127.7195 2.4825 2.5397 PRESSURE: 1473600 66.0385 26.2603 -133.293 26.2612 143.95 -69.8277 -133.293 -69.8285 287.333 GPRESSURE: 1473600 144.58 50.506 -187.627 20.7536 145.831 -142.485 -165.568 -107.77 285.987 PRESSAVG: 1473600 -3.80387 22.251 16.5617 22.251 13.8953 47.2312 16.5618 47.2313 36.7137 GPRESSAVG: 1473600 -4.27695 23.4219 15.5113 22.5259 12.9786 48.1275 15.0987 50.9021 38.2975 TIMING: 1473600 CPU: 4396.85, 0.0029911/step Wall: 4396.85, 0.0029911/step, 2.92995 hours remaining, 208.253906 MB of memory in use. ENERGY: 1473600 755.3110 2165.7128 1932.7425 111.8628 -206434.7741 18175.0950 0.0000 0.0000 33996.3999 -149297.6502 296.8990 -183294.0501 -149203.8097 299.2294 165.7736 192.1325 556851.6416 15.6017 15.6664 PRESSURE: 1473800 -11.3788 65.5736 -142.753 65.5735 -352.576 51.7851 -142.755 51.7853 -128.393 GPRESSURE: 1473800 31.3522 100.47 -75.0589 -25.8323 -332.09 132.851 -163.29 48.9805 -106.661 PRESSAVG: 1473800 -7.65908 -27.5091 -22.8229 -27.5091 -64.7694 35.0315 -22.8228 35.0314 37.7659 GPRESSAVG: 1473800 -7.42854 -26.9507 -22.7922 -28.5757 -64.2713 33.6643 -22.4616 34.2479 37.2218 TIMING: 1473800 CPU: 4397.45, 0.0030157/step Wall: 4397.45, 0.0030157/step, 2.95388 hours remaining, 208.253906 MB of memory in use. ENERGY: 1473800 762.2411 2086.3398 1916.2115 97.5972 -206451.4558 17829.2139 0.0000 0.0000 34238.7331 -149521.1192 299.0154 -183759.8523 -149421.3072 298.8151 -164.1160 -135.7995 557487.8071 -11.5542 -11.4927 PRESSURE: 1474000 -53.3331 46.4746 118.544 46.4756 -83.3358 35.8828 118.545 35.8831 -120.422 GPRESSURE: 1474000 -3.57888 76.4548 176.242 -31.2471 -67.171 4.25387 93.7577 19.8391 -99.956 PRESSAVG: 1474000 53.2743 2.71324 0.12836 2.71324 -40.9093 14.3501 0.128387 14.3501 -28.6833 GPRESSAVG: 1474000 53.4902 3.75315 -0.126386 1.95086 -40.3109 16.9473 2.71297 13.4769 -28.7533 TIMING: 1474000 CPU: 4398.06, 0.00306178/step Wall: 4398.06, 0.00306178/step, 2.99884 hours remaining, 208.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1474000 749.8967 2119.0097 1940.6530 95.5392 -206017.6850 17552.1715 0.0000 0.0000 34178.8000 -149381.6149 298.4920 -183560.4149 -149278.6165 299.2145 -85.6969 -56.9020 557740.5014 -5.4395 -5.1913 PRESSURE: 1474200 18.9537 -100.502 -54.8464 -100.502 -228.964 -129.57 -54.847 -129.569 -147.719 GPRESSURE: 1474200 68.3946 -94.5108 -160.996 -119.49 -194.101 -158.823 75.7968 -152.628 -140.776 PRESSAVG: 1474200 56.6038 65.2328 15.6898 65.2328 -92.4078 -18.3405 15.6898 -18.3404 31.3875 GPRESSAVG: 1474200 57.259 65.1717 16.7538 65.812 -92.7701 -19.4467 12.1769 -18.0057 31.655 TIMING: 1474200 CPU: 4398.67, 0.00304806/step Wall: 4398.67, 0.00304806/step, 2.98524 hours remaining, 208.253906 MB of memory in use. ENERGY: 1474200 775.9735 2091.3035 1950.9165 121.5657 -206159.1021 17763.3623 0.0000 0.0000 34078.9114 -149377.0691 297.6196 -183455.9805 -149283.7501 299.1445 -119.2433 -88.8274 558425.4872 -1.4722 -1.2854 PRESSURE: 1474400 -162.313 -240.674 34.5811 -240.673 -14.1349 51.3535 34.5821 51.3533 -174.358 GPRESSURE: 1474400 -107.601 -174.704 30.4939 -253.696 -22.1564 45.6561 -26.6826 97.4731 -137.929 PRESSAVG: 1474400 49.664 -52.8551 -33.7985 -52.8551 -58.6684 -30.5851 -33.7985 -30.585 30.4875 GPRESSAVG: 1474400 49.19 -54.3847 -31.6374 -51.4017 -58.5886 -30.32 -34.2559 -30.6964 30.9891 TIMING: 1474400 CPU: 4399.27, 0.00298134/step Wall: 4399.27, 0.00298134/step, 2.91972 hours remaining, 208.253906 MB of memory in use. ENERGY: 1474400 739.4948 2067.7788 1954.2629 109.2048 -206012.3257 17565.8946 0.0000 0.0000 34165.2730 -149410.4169 298.3738 -183575.6898 -149318.3861 299.0151 -116.9355 -89.2288 558256.6601 7.1610 7.1969 PRESSURE: 1474600 349.993 118.318 -16.9651 118.318 -363.749 151.683 -16.9648 151.683 -30.8322 GPRESSURE: 1474600 364.559 124.867 -41.7944 105.216 -288.937 61.6392 -5.38767 219.009 -34.7856 PRESSAVG: 1474600 10.4814 30.5157 -42.9311 30.5157 21.2522 21.1341 -42.9311 21.1341 -26.3709 GPRESSAVG: 1474600 9.37767 31.0172 -46.3752 28.9328 22.7823 20.6052 -40.895 21.9009 -26.7923 TIMING: 1474600 CPU: 4399.87, 0.00299971/step Wall: 4399.87, 0.00299971/step, 2.93755 hours remaining, 208.253906 MB of memory in use. ENERGY: 1474600 768.8345 2091.5953 1933.3014 119.8525 -206353.9137 17831.4318 0.0000 0.0000 34458.3484 -149150.5497 300.9333 -183608.8982 -149060.2354 298.8083 -14.8629 13.6120 557507.7569 1.7876 1.7892 PRESSURE: 1474800 109.556 -99.3892 -103.722 -99.3869 -63.1546 43.1847 -103.722 43.1858 99.3236 GPRESSURE: 1474800 132.248 -198.954 -13.6249 -62.3738 3.08811 82.4322 -96.9541 23.2734 111.936 PRESSAVG: 1474800 99.18 46.6652 21.6913 46.6652 -49.2053 -27.5601 21.6912 -27.5602 -45.2736 GPRESSAVG: 1474800 101.011 47.2659 21.716 46.5217 -50.1567 -28.6846 22.0182 -28.285 -45.8829 TIMING: 1474800 CPU: 4400.47, 0.00298863/step Wall: 4400.47, 0.00298863/step, 2.92653 hours remaining, 208.253906 MB of memory in use. ENERGY: 1474800 731.7060 2091.3194 1931.4337 112.4094 -205947.9620 17761.5099 0.0000 0.0000 34143.9050 -149175.6786 298.1872 -183319.5836 -149075.4623 299.2777 48.5751 82.4240 557016.7807 1.5670 1.6572 PRESSURE: 1475000 30.6357 -150.433 214.923 -150.433 -176.868 -92.5276 214.922 -92.5286 -110.119 GPRESSURE: 1475000 5.9549 -72.9696 231.137 -156.609 -71.6768 -115.514 156.901 -124.276 -100.226 PRESSAVG: 1475000 69.5023 -17.1104 38.6746 -17.1103 -37.4187 40.6683 38.6747 40.6684 -49.9622 GPRESSAVG: 1475000 69.0381 -15.847 37.8717 -18.4885 -37.7312 41.7221 38.2454 39.8895 -49.4641 TIMING: 1475000 CPU: 4401.07, 0.00302325/step Wall: 4401.07, 0.00302325/step, 2.96026 hours remaining, 208.253906 MB of memory in use. ENERGY: 1475000 767.6816 2108.1833 1920.1029 108.4330 -206162.8467 17682.2185 0.0000 0.0000 34298.5558 -149277.6715 299.5378 -183576.2273 -149183.6134 299.6355 -85.4502 -55.3158 555907.1310 -5.9595 -6.0524 PRESSURE: 1475200 132.408 -235.105 20.3486 -235.104 282.609 17.6883 20.3491 17.6908 19.1192 GPRESSURE: 1475200 193.267 -177.598 92.6553 -195.278 250.72 38.5429 -107.442 -1.16037 102.305 PRESSAVG: 1475200 111.571 -33.5703 17.266 -33.5705 -42.7858 4.06834 17.266 4.06833 -47.6863 GPRESSAVG: 1475200 109.549 -34.1959 18.1602 -30.527 -42.0297 3.81859 15.8461 3.09719 -46.6052 TIMING: 1475200 CPU: 4401.68, 0.00302305/step Wall: 4401.68, 0.00302305/step, 2.9599 hours remaining, 208.253906 MB of memory in use. ENERGY: 1475200 736.2803 2085.0486 1940.9571 120.3728 -206741.4265 18178.4770 0.0000 0.0000 34495.0147 -149185.2761 301.2535 -183680.2907 -149085.5887 299.6461 144.7123 182.0971 556638.5435 7.0329 6.9714 PRESSURE: 1475400 323.203 -210.079 -147.932 -210.079 221.426 34.7543 -147.932 34.7546 181.45 GPRESSURE: 1475400 359.741 -216.062 -82.9151 -155.193 268.131 6.50133 -168.537 63.3978 210.509 PRESSAVG: 1475400 -15.9084 10.8862 7.28889 10.8862 45.91 -23.2159 7.28883 -23.2159 -46.7981 GPRESSAVG: 1475400 -15.2169 10.5211 6.07283 10.5489 46.027 -22.9431 9.04853 -22.8168 -47.5204 TIMING: 1475400 CPU: 4402.28, 0.00301731/step Wall: 4402.28, 0.00301731/step, 2.95412 hours remaining, 208.253906 MB of memory in use. ENERGY: 1475400 716.6255 2121.4282 1941.7467 113.9722 -206737.0862 18197.7343 0.0000 0.0000 34351.9744 -149293.6049 300.0043 -183645.5793 -149195.1516 299.5666 242.0261 279.4607 555970.7443 -5.5988 -5.5701 PRESSURE: 1475600 198.453 -108.242 -87.7365 -108.242 124.448 -74.1723 -87.7355 -74.1719 0.158385 GPRESSURE: 1475600 279.007 -116.379 -80.7755 -158.745 124.449 -113.483 -78.0382 -62.0763 23.2531 PRESSAVG: 1475600 47.2801 -66.3036 -12.0502 -66.3036 8.96602 2.24248 -12.0502 2.24245 -38.5935 GPRESSAVG: 1475600 48.4687 -66.5847 -10.9915 -64.5297 8.1474 0.757272 -12.151 2.99587 -38.4001 TIMING: 1475600 CPU: 4402.88, 0.00301186/step Wall: 4402.88, 0.00301186/step, 2.94861 hours remaining, 208.253906 MB of memory in use. ENERGY: 1475600 750.9266 2096.1239 1892.8459 113.3719 -206412.0149 18121.8996 0.0000 0.0000 34177.9356 -149258.9115 298.4844 -183436.8471 -149174.1082 299.0293 107.6867 142.2362 556659.8418 5.8842 6.0720 PRESSURE: 1475800 -326.276 99.1939 53.5707 99.1942 -178.36 -4.85647 53.5701 -4.85622 -240.806 GPRESSURE: 1475800 -367.815 168.916 58.9113 40.5577 -101.864 -50.4254 10.8541 -8.94569 -181.961 PRESSAVG: 1475800 10.0528 -50.2498 22.7429 -50.2497 -8.45182 -53.1213 22.7428 -53.1215 -22.5743 GPRESSAVG: 1475800 9.00602 -48.5159 24.6255 -53.3031 -8.82331 -52.5104 19.2402 -53.774 -21.0268 TIMING: 1475800 CPU: 4403.49, 0.00303243/step Wall: 4403.49, 0.00303243/step, 2.96858 hours remaining, 208.253906 MB of memory in use. ENERGY: 1475800 791.5751 2037.0330 1938.9568 115.7922 -206030.7744 17562.3523 0.0000 0.0000 34296.3401 -149288.7249 299.5185 -183585.0650 -149185.5311 298.9121 -248.4804 -217.2133 558454.3597 -6.9911 -6.9480 PRESSURE: 1476000 17.4353 -40.2147 -91.2269 -40.2136 76.7969 92.5657 -91.2264 92.5642 -157.37 GPRESSURE: 1476000 88.968 -87.9592 -78.8346 -48.4026 99.9117 67.9351 -34.7782 60.2206 -159.86 PRESSAVG: 1476000 12.5043 -16.7457 15.1745 -16.7457 69.0248 -21.121 15.1744 -21.121 -60.051 GPRESSAVG: 1476000 13.4161 -17.595 12.0504 -15.2333 70.4301 -22.697 19.1427 -20.3925 -62.4778 TIMING: 1476000 CPU: 4404.1, 0.00304993/step Wall: 4404.1, 0.00304993/step, 2.98555 hours remaining, 208.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1476000 750.9279 2098.6765 1899.7863 108.0647 -206384.3402 17963.6035 0.0000 0.0000 34305.6534 -149257.6280 299.5998 -183563.2813 -149176.8185 298.3950 -21.0461 9.6733 559191.2141 7.1594 7.1228 PRESSURE: 1476200 -149.026 111.841 -76.2069 111.84 -244.304 83.2318 -76.2063 83.2335 -324.104 GPRESSURE: 1476200 -106.097 174.647 -81.1346 2.52452 -227.383 54.9221 -70.265 5.54184 -308.3 PRESSAVG: 1476200 29.4409 48.1546 -34.2176 48.1546 37.7343 26.6313 -34.2176 26.6314 -100.662 GPRESSAVG: 1476200 29.8211 47.9598 -32.5775 48.1799 36.9799 28.1839 -33.7998 26.7322 -100.895 TIMING: 1476200 CPU: 4404.71, 0.00306304/step Wall: 4404.71, 0.00306304/step, 2.9982 hours remaining, 208.253906 MB of memory in use. ENERGY: 1476200 749.7508 2074.4347 1934.9363 108.1333 -205895.3933 17607.9516 0.0000 0.0000 34171.5659 -149248.6206 298.4288 -183420.1865 -149149.1651 298.6946 -239.1446 -213.9268 558836.5203 -11.1624 -11.3645 LDB: ============= START OF LOAD BALANCING ============== 4408.27 LDB: ============== END OF LOAD BALANCING =============== 4408.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4408.27 LDB: ============= START OF LOAD BALANCING ============== 4408.57 LDB: Largest compute 4796 load 0.026542 is 22.5% of average load 0.118183 LDB: Average compute 0.001729 is 1.5% of average load 0.118183 LDB: TIME 4408.58 LOAD: AVG 0.118183 MAX 0.220849 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.562 MB LDB: TIME 4408.58 LOAD: AVG 0.118183 MAX 0.220849 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.77 MB LDB: TIME 4408.58 LOAD: AVG 0.118183 MAX 0.220849 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4408.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4408.58 PRESSURE: 1476400 -22.7124 -77.3101 80.9708 -77.3111 -83.8125 -76.2187 80.972 -76.2198 -63.3416 GPRESSURE: 1476400 -4.00329 -90.6794 61.4553 -60.5735 -90.9298 -1.04481 69.8758 -80.8515 14.5897 PRESSAVG: 1476400 46.4133 31.6356 -6.47794 31.6355 73.3239 -27.2782 -6.4779 -27.2782 -85.1043 GPRESSAVG: 1476400 45.9644 31.3437 -6.30321 31.7222 72.303 -26.9976 -9.11689 -27.1153 -84.0566 TIMING: 1476400 CPU: 4405.33, 0.00311945/step Wall: 4405.33, 0.00311945/step, 3.05325 hours remaining, 206.515625 MB of memory in use. ENERGY: 1476400 747.5297 2096.8365 1941.8007 121.4081 -206137.3681 17782.6267 0.0000 0.0000 34209.7294 -149237.4369 298.7621 -183447.1663 -149141.3499 298.9105 -56.6222 -26.7811 557806.5934 11.5443 11.4036 PRESSURE: 1476600 -113.832 87.9123 -36.8845 87.9124 384.142 101.382 -36.8854 101.384 -138.879 GPRESSURE: 1476600 -95.1593 138.745 9.83846 120.344 439.891 202.74 -77.138 44.3375 -106.195 PRESSAVG: 1476600 -46.8872 31.805 12.3254 31.8048 58.4255 28.6058 12.3254 28.6058 -53.8652 GPRESSAVG: 1476600 -47.4177 33.0746 10.8533 31.3271 59.3595 29.9605 13.0733 28.7157 -54.2652 TIMING: 1476600 CPU: 4405.94, 0.00302813/step Wall: 4405.94, 0.00302813/step, 2.9637 hours remaining, 206.515625 MB of memory in use. ENERGY: 1476600 740.1494 2091.4977 1941.6900 109.8637 -206201.4373 17736.4342 0.0000 0.0000 34290.1213 -149291.6810 299.4642 -183581.8024 -149193.6716 299.4824 43.8104 79.5123 556956.4897 -14.1090 -14.1078 PRESSURE: 1476800 -23.3951 60.9212 34.5269 60.9214 79.7628 -22.3587 34.5266 -22.36 -6.68941 GPRESSURE: 1476800 -7.64446 134.439 26.7742 52.0059 132.056 -47.7275 24.0295 -2.20692 27.4435 PRESSAVG: 1476800 -33.7998 25.561 -31.2183 25.5611 67.1972 6.35162 -31.2182 6.35148 -37.2691 GPRESSAVG: 1476800 -34.1976 25.9129 -29.7135 23.5365 66.012 4.45686 -31.611 4.33962 -35.9951 TIMING: 1476800 CPU: 4406.55, 0.00302597/step Wall: 4406.55, 0.00302597/step, 2.96142 hours remaining, 206.515625 MB of memory in use. ENERGY: 1476800 745.4338 2117.6344 1920.7370 117.8898 -206506.5359 17949.5900 0.0000 0.0000 34127.4339 -149527.8170 298.0434 -183655.2509 -149435.2379 298.7704 16.5594 50.6182 557373.5030 -1.2906 -1.3935 PRESSURE: 1477000 -99.1589 77.2065 -106.393 77.2059 89.4709 -74.5433 -106.394 -74.5438 -272.602 GPRESSURE: 1477000 2.07314 130.426 -65.6447 20.1485 66.83 -92.3613 -113.432 -91.5221 -246.318 PRESSAVG: 1477000 8.37021 -30.3417 27.3761 -30.3417 29.3 0.611203 27.376 0.61122 -11.6943 GPRESSAVG: 1477000 9.34505 -32.2584 28.7872 -27.2772 29.1185 2.39891 26.4795 0.74055 -12.5331 TIMING: 1477000 CPU: 4407.14, 0.00299653/step Wall: 4407.14, 0.00299653/step, 2.93244 hours remaining, 206.515625 MB of memory in use. ENERGY: 1477000 739.5993 2051.3866 1945.5257 119.7828 -206347.8160 17704.2738 0.0000 0.0000 34484.3821 -149302.8658 301.1607 -183787.2479 -149206.6138 299.8102 -94.0967 -59.1383 556833.6237 8.6586 8.6435 PRESSURE: 1477200 89.167 32.9912 23.662 32.9905 -32.0796 14.4476 23.6619 14.4469 -78.3766 GPRESSURE: 1477200 67.4541 81.8941 48.6771 72.8851 8.27473 7.08033 64.4559 86.0879 -0.213962 PRESSAVG: 1477200 8.66464 -59.9327 0.166623 -59.9328 -9.60345 7.25824 0.166548 7.25821 4.56565 GPRESSAVG: 1477200 9.0054 -58.0512 -1.41692 -60.7046 -7.64447 4.0793 3.01269 7.78039 2.56616 TIMING: 1477200 CPU: 4407.74, 0.00298692/step Wall: 4407.74, 0.00298692/step, 2.92287 hours remaining, 206.515625 MB of memory in use. ENERGY: 1477200 723.0394 2105.3141 1941.1872 116.1804 -206092.3286 17736.5416 0.0000 0.0000 34147.3711 -149322.6948 298.2175 -183470.0659 -149228.6687 299.2325 -7.0964 25.1716 556140.6448 1.2089 1.3090 PRESSURE: 1477400 3.21194 175.725 -18.3859 175.725 80.0595 136.018 -18.3861 136.018 -40.1978 GPRESSURE: 1477400 40.1846 142.847 -4.05448 207.278 80.6706 131.82 -116.793 70.1639 2.64938 PRESSAVG: 1477400 14.8322 3.74245 19.538 3.74257 10.0092 1.27509 19.5379 1.2751 -31.426 GPRESSAVG: 1477400 14.1293 2.85603 21.7308 3.77022 8.49262 2.12524 19.3542 -0.627545 -29.2927 TIMING: 1477400 CPU: 4408.34, 0.0029887/step Wall: 4408.34, 0.0029887/step, 2.92444 hours remaining, 206.515625 MB of memory in use. ENERGY: 1477400 768.3784 2031.7619 1932.3183 109.2535 -206299.2034 17865.9021 0.0000 0.0000 34312.2092 -149279.3800 299.6571 -183591.5892 -149183.7170 299.3646 14.3579 41.1682 556049.6683 -2.1948 -2.2236 PRESSURE: 1477600 104.424 -80.0567 -83.9909 -80.0561 -80.1991 -98.7373 -83.9916 -98.7372 -81.0673 GPRESSURE: 1477600 207.263 -200.158 -42.9219 -76.8434 -52.8032 -103.287 -117.489 -49.4423 -111.615 PRESSAVG: 1477600 45.9732 -24.5633 33.1099 -24.5632 19.223 43.514 33.11 43.514 -58.7158 GPRESSAVG: 1477600 46.3549 -23.4262 30.7939 -25.2184 19.3261 44.919 31.2152 44.785 -59.002 TIMING: 1477600 CPU: 4408.94, 0.00300651/step Wall: 4408.94, 0.00300651/step, 2.9417 hours remaining, 206.515625 MB of memory in use. ENERGY: 1477600 754.5080 2077.1467 1896.3196 94.8331 -206071.0669 17908.9636 0.0000 0.0000 34077.5281 -149261.7678 297.6075 -183339.2959 -149163.6842 299.1875 -18.9476 14.2818 557137.7563 2.1601 2.2263 PRESSURE: 1477800 26.3629 51.7484 42.0392 51.7485 233.776 -60.5849 42.0403 -60.5859 73.4808 GPRESSURE: 1477800 37.6792 -81.1431 113.108 144.839 234.899 -56.4062 18.9346 -100.94 148.165 PRESSAVG: 1477800 -27.0534 -15.0923 44.1634 -15.0922 16.0462 58.8596 44.1635 58.8596 -4.24607 GPRESSAVG: 1477800 -27.4773 -16.7201 44.0474 -13.7945 16.3882 58.7099 43.6499 59.2387 -4.3108 TIMING: 1477800 CPU: 4409.54, 0.00300747/step Wall: 4409.54, 0.00300747/step, 2.94247 hours remaining, 206.515625 MB of memory in use. ENERGY: 1477800 736.4518 2016.4936 1945.4376 102.8343 -205927.2135 17800.6359 0.0000 0.0000 34121.7763 -149203.5840 297.9940 -183325.3603 -149109.4914 299.5135 111.2067 140.2478 557310.2601 -5.0844 -5.1333 PRESSURE: 1478000 209.781 71.5783 -167.942 71.5788 -69.7935 18.803 -167.942 18.8024 236.116 GPRESSURE: 1478000 212.019 97.6668 -196.783 3.57391 52.3039 -28.4624 -85.4975 29.8237 205.619 PRESSAVG: 1478000 0.599503 2.55027 -51.2483 2.55018 -0.907537 2.71858 -51.2483 2.71852 -13.215 GPRESSAVG: 1478000 1.03686 1.47943 -50.9779 2.94346 -1.83413 2.28339 -49.8424 3.05665 -12.8189 TIMING: 1478000 CPU: 4410.15, 0.00303498/step Wall: 4410.15, 0.00303498/step, 2.96922 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1478000 740.0172 2100.5244 1930.8159 102.3983 -206402.8247 18026.2613 0.0000 0.0000 34101.6473 -149401.1603 297.8182 -183502.8076 -149302.5093 299.0917 125.3679 156.6473 558089.3794 -4.5077 -4.5387 PRESSURE: 1478200 107.887 -7.11917 70.4769 -7.11812 -38.4872 -23.0858 70.4746 -23.0867 -118.497 GPRESSURE: 1478200 168.113 -31.3671 87.3023 11.8982 -34.2329 -1.98806 48.5627 16.1964 -91.7967 PRESSAVG: 1478200 57.8852 6.67455 -45.3311 6.67456 -38.8608 -42.742 -45.3311 -42.7421 -38.6377 GPRESSAVG: 1478200 57.8275 8.29267 -44.902 6.02661 -37.4224 -42.5759 -43.2493 -43.1085 -40.1118 TIMING: 1478200 CPU: 4410.75, 0.00299054/step Wall: 4410.75, 0.00299054/step, 2.92558 hours remaining, 206.515625 MB of memory in use. ENERGY: 1478200 776.7677 2064.4351 1917.7011 94.3892 -206452.4018 17901.1569 0.0000 0.0000 34217.3209 -149480.6308 298.8284 -183697.9518 -149381.0361 298.4842 -16.3657 14.0278 557741.4204 -6.5378 -6.5689 PRESSURE: 1478400 4.82898 155.462 -15.3748 155.461 -187.836 -106.117 -15.3745 -106.117 -200.918 GPRESSURE: 1478400 -38.7515 277.263 26.5512 40.4551 -148.255 -113.484 -26.9819 -28.3286 -95.8811 PRESSAVG: 1478400 4.35373 -14.5347 -38.8848 -14.5346 -69.9625 -25.3733 -38.8847 -25.3732 56.4015 GPRESSAVG: 1478400 3.92123 -15.4165 -38.689 -14.9236 -70.3789 -23.9604 -40.9418 -25.2078 57.1722 TIMING: 1478400 CPU: 4411.35, 0.00299136/step Wall: 4411.35, 0.00299136/step, 2.92621 hours remaining, 206.515625 MB of memory in use. ENERGY: 1478400 742.4929 2116.3482 1908.9451 117.1834 -206740.3106 17866.1837 0.0000 0.0000 34311.7004 -149677.4568 299.6526 -183989.1572 -149578.5772 298.0585 -127.9750 -94.2958 558564.5060 -3.0691 -3.0952 PRESSURE: 1478600 -63.1486 -46.0053 115.023 -46.0042 -13.4468 -17.6698 115.025 -17.6696 -152.731 GPRESSURE: 1478600 -50.7489 -73.7342 91.4736 -7.70088 50.9644 56.756 191.609 -105.79 -119.457 PRESSAVG: 1478600 4.76362 -22.9967 51.4378 -22.9968 -9.67899 5.87506 51.4379 5.87494 12.6764 GPRESSAVG: 1478600 5.71578 -24.3167 49.2569 -21.4852 -10.6584 1.23119 51.8035 6.65589 12.6724 TIMING: 1478600 CPU: 4411.95, 0.00300089/step Wall: 4411.95, 0.00300089/step, 2.93537 hours remaining, 206.515625 MB of memory in use. ENERGY: 1478600 745.6277 2093.2590 1915.2387 106.3287 -206237.8816 17823.3272 0.0000 0.0000 34014.0774 -149540.0229 297.0534 -183554.1003 -149446.2532 298.4901 -76.4421 -39.7473 557271.1957 2.5870 2.5766 PRESSURE: 1478800 123.573 165.787 99.3192 165.786 5.55193 267.771 99.3181 267.771 90.4256 GPRESSURE: 1478800 217.468 215.309 99.1598 118.367 51.3904 189.477 100.636 263.656 60.6229 PRESSAVG: 1478800 -55.5635 -46.4074 58.6841 -46.4073 22.562 3.51774 58.6841 3.51779 1.01106 GPRESSAVG: 1478800 -55.7143 -44.4573 62.5522 -49.0085 22.4385 6.73368 58.4019 2.4907 1.32719 TIMING: 1478800 CPU: 4412.55, 0.00299716/step Wall: 4412.55, 0.00299716/step, 2.93156 hours remaining, 206.515625 MB of memory in use. ENERGY: 1478800 717.8778 2117.2066 1936.5572 130.8976 -206764.7123 17982.7830 0.0000 0.0000 34280.8362 -149598.5538 299.3831 -183879.3901 -149504.5122 298.7361 73.1835 109.8270 556825.5781 -10.6635 -10.6495 PRESSURE: 1479000 -192.769 1.72196 102.986 1.72252 -198.484 -36.9477 102.987 -36.9487 -64.9151 GPRESSURE: 1479000 -162.401 -3.48971 140.716 -3.24508 -171.928 -138.88 105.044 -45.8869 -25.0675 PRESSAVG: 1479000 19.5838 11.8378 18.4558 11.8378 18.4481 0.451662 18.4558 0.451561 6.11316 GPRESSAVG: 1479000 18.9182 9.40412 17.6323 13.9041 19.7808 -0.243818 19.2976 0.316306 5.48932 TIMING: 1479000 CPU: 4413.15, 0.00301542/step Wall: 4413.15, 0.00301542/step, 2.94925 hours remaining, 206.515625 MB of memory in use. ENERGY: 1479000 744.1292 2099.6353 1923.3132 116.4564 -206261.3116 17784.6041 0.0000 0.0000 34098.4658 -149494.7075 297.7904 -183593.1733 -149399.6842 298.6961 -152.0559 -119.7989 558644.4357 14.7150 14.7295 PRESSURE: 1479200 -33.3233 45.0722 -261.372 45.0726 -124.901 -48.4388 -261.37 -48.439 -83.0112 GPRESSURE: 1479200 57.4083 -20.2346 -276.118 139.959 -115.133 -59.5955 -242.401 -44.2468 -82.5399 PRESSAVG: 1479200 -17.1543 -46.4849 -29.1933 -46.4848 42.4637 -15.9904 -29.1933 -15.9904 6.48665 GPRESSAVG: 1479200 -16.2138 -45.4998 -28.277 -47.626 41.6562 -15.2744 -29.5222 -15.5619 6.54481 TIMING: 1479200 CPU: 4413.75, 0.00300273/step Wall: 4413.75, 0.00300273/step, 2.93667 hours remaining, 206.515625 MB of memory in use. ENERGY: 1479200 751.5997 2050.0070 1928.3718 123.2835 -206434.7575 17792.3922 0.0000 0.0000 34100.3654 -149688.7379 297.8070 -183789.1033 -149597.0573 298.5897 -80.4119 -46.7549 557680.4100 10.5987 10.6624 PRESSURE: 1479400 -94.0881 -58.1691 37.7231 -58.169 -196.064 58.2637 37.7221 58.2627 -143.805 GPRESSURE: 1479400 -59.8542 -94.0228 66.6599 75.8385 -196.248 91.1088 -19.5611 79.6601 -76.398 PRESSAVG: 1479400 49.478 36.4774 11.0485 36.4775 -25.4944 -17.8597 11.0485 -17.8598 -5.44185 GPRESSAVG: 1479400 49.1084 35.357 8.81387 37.4537 -24.5635 -19.0546 11.0602 -17.1813 -5.37964 TIMING: 1479400 CPU: 4414.35, 0.003013/step Wall: 4414.35, 0.003013/step, 2.94655 hours remaining, 206.515625 MB of memory in use. ENERGY: 1479400 744.2964 2160.9971 1928.2390 104.4395 -206588.8198 17804.4123 0.0000 0.0000 34217.0695 -149629.3661 298.8262 -183846.4357 -149532.4300 298.4809 -144.6525 -110.8333 557055.9553 6.1806 6.3884 PRESSURE: 1479600 29.6386 57.1365 190.014 57.1361 -23.0741 -38.6068 190.015 -38.6082 -363.549 GPRESSURE: 1479600 56.5597 39.575 158.346 68.0234 -43.4685 -0.84105 227.198 -7.76795 -259.207 PRESSAVG: 1479600 112.672 -0.616712 35.8051 -0.616819 -17.4178 18.9889 35.8051 18.9889 -60.3567 GPRESSAVG: 1479600 112.225 0.834644 36.2551 -0.99286 -17.5413 20.5143 36.1929 17.321 -59.4334 TIMING: 1479600 CPU: 4414.95, 0.00298809/step Wall: 4414.95, 0.00298809/step, 2.92202 hours remaining, 206.515625 MB of memory in use. ENERGY: 1479600 753.5830 2116.6466 1951.9053 118.8692 -206401.8225 17697.3592 0.0000 0.0000 34230.6610 -149532.7982 298.9449 -183763.4592 -149440.8336 298.5873 -118.9950 -82.0386 557159.6267 11.6324 11.7500 PRESSURE: 1479800 61.375 -234.943 -45.3476 -234.943 25.7394 65.2241 -45.3466 65.2239 -105.111 GPRESSURE: 1479800 49.9049 -164.844 6.7346 -263.489 65.38 2.51519 -90.3041 143.197 -47.8067 PRESSAVG: 1479800 27.1764 -58.5825 46.277 -58.5825 -7.04193 44.4297 46.277 44.4297 -34.3598 GPRESSAVG: 1479800 26.8864 -57.7978 47.9781 -58.5405 -6.09622 43.0341 44.5904 44.8119 -35.3986 TIMING: 1479800 CPU: 4415.56, 0.0030343/step Wall: 4415.56, 0.0030343/step, 2.96704 hours remaining, 206.515625 MB of memory in use. ENERGY: 1479800 763.2402 2125.3212 1921.6932 117.5806 -206294.2822 17786.0090 0.0000 0.0000 34072.9014 -149507.5367 297.5671 -183580.4381 -149409.7531 298.3355 -5.9988 22.4927 556746.0088 -4.7418 -4.8695 PRESSURE: 1480000 12.3148 190.512 118.359 190.512 17.4036 -51.0999 118.359 -51.1001 -250.754 GPRESSURE: 1480000 -19.4555 132.765 21.4372 141.073 115.29 50.424 149.082 -181.36 -211.559 PRESSAVG: 1480000 49.8151 -31.4246 16.7297 -31.4245 10.4158 56.9466 16.7299 56.9464 -50.5341 GPRESSAVG: 1480000 50.2605 -31.0655 16.9187 -30.9975 9.94678 57.2116 16.6356 57.0108 -50.8672 TIMING: 1480000 CPU: 4416.16, 0.00302209/step Wall: 4416.16, 0.00302209/step, 2.95494 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1480000 781.0457 2032.8895 1941.2331 118.0521 -205992.2233 17583.0132 0.0000 0.0000 34125.3070 -149410.6826 298.0248 -183535.9896 -149316.7988 298.7247 -73.6784 -38.5746 557877.1378 3.2323 3.1134 PRESSURE: 1480200 -71.5078 -84.7054 50.4517 -84.7055 -141.124 -131.055 50.4523 -131.057 -39.1523 GPRESSURE: 1480200 -59.7811 -93.7854 -15.8025 -39.8795 -117.969 -98.1235 55.9231 -206.409 9.99173 PRESSAVG: 1480200 42.5042 7.44375 35.5698 7.44365 6.94354 51.9614 35.5699 51.9614 -21.4156 GPRESSAVG: 1480200 43.3754 6.16873 33.176 6.22248 6.22103 51.7737 37.6773 51.3201 -21.1782 TIMING: 1480200 CPU: 4416.77, 0.0030242/step Wall: 4416.77, 0.0030242/step, 2.95683 hours remaining, 206.515625 MB of memory in use. ENERGY: 1480200 745.0549 2060.6722 1932.2499 118.0524 -206430.7412 17767.5647 0.0000 0.0000 34183.8798 -149623.2673 298.5363 -183807.1471 -149520.2776 298.7522 -83.9280 -55.9193 557766.9582 9.3441 9.4728 LDB: ============= START OF LOAD BALANCING ============== 4420.32 LDB: ============== END OF LOAD BALANCING =============== 4420.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4420.32 LDB: ============= START OF LOAD BALANCING ============== 4420.63 LDB: Largest compute 4773 load 0.025657 is 21.7% of average load 0.118173 LDB: Average compute 0.001734 is 1.5% of average load 0.118173 LDB: TIME 4420.63 LOAD: AVG 0.118173 MAX 0.215702 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 4420.63 LOAD: AVG 0.118173 MAX 0.215702 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.516 MB LDB: TIME 4420.63 LOAD: AVG 0.118173 MAX 0.215702 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.516 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4420.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4420.64 PRESSURE: 1480400 56.6563 -16.5663 -80.9778 -16.5672 -86.4558 -65.4748 -80.977 -65.473 -339.099 GPRESSURE: 1480400 88.1879 48.3584 -62.8767 3.49078 -23.7518 27.6846 -106.507 -133.677 -336.307 PRESSAVG: 1480400 44.3513 -36.6505 23.8963 -36.6505 -41.935 -1.09042 23.8963 -1.09035 -50.028 GPRESSAVG: 1480400 43.294 -37.1014 24.3967 -33.9584 -41.6016 -0.516871 22.6654 1.73184 -49.2442 TIMING: 1480400 CPU: 4417.39, 0.00309885/step Wall: 4417.39, 0.00309885/step, 3.02964 hours remaining, 208.570312 MB of memory in use. ENERGY: 1480400 751.0420 2065.8000 1921.1154 97.2900 -206196.9234 17659.5545 0.0000 0.0000 34027.7708 -149674.3508 297.1730 -183702.1215 -149582.9892 298.2491 -122.9660 -90.6235 557779.0371 -15.8706 -15.8506 PRESSURE: 1480600 9.34262 18.9148 -83.47 18.9147 -16.2347 -0.731778 -83.4704 -0.732389 255.49 GPRESSURE: 1480600 65.6941 98.5031 -25.4711 -41.8765 14.2266 -82.3798 6.40747 -2.55024 253.863 PRESSAVG: 1480600 -32.9376 45.108 -27.3225 45.108 -7.46294 -16.8929 -27.3226 -16.8928 25.7813 GPRESSAVG: 1480600 -33.3586 45.8078 -28.3301 43.1217 -7.31115 -17.9975 -27.1821 -18.9722 26.1544 TIMING: 1480600 CPU: 4417.99, 0.00303305/step Wall: 4417.99, 0.00303305/step, 2.96515 hours remaining, 208.640625 MB of memory in use. ENERGY: 1480600 735.0308 2026.7079 1908.1641 119.0485 -206140.5404 17866.9499 0.0000 0.0000 34117.1754 -149367.4638 297.9538 -183484.6392 -149276.5404 298.3553 82.8658 111.2614 556493.3825 -4.8731 -4.8384 PRESSURE: 1480800 -229.225 39.6141 92.969 39.6136 -25.7332 16.3943 92.9686 16.3954 -219.499 GPRESSURE: 1480800 -224.548 -23.87 112.848 20.9862 20.9323 17.5195 72.6311 68.7165 -168.554 PRESSAVG: 1480800 2.35029 -12.0141 19.4518 -12.0142 10.5641 -39.485 19.4518 -39.4851 -42.4992 GPRESSAVG: 1480800 3.06157 -12.399 21.8709 -9.5419 9.80043 -37.8412 20.1851 -42.3673 -42.404 TIMING: 1480800 CPU: 4418.59, 0.00300773/step Wall: 4418.59, 0.00300773/step, 2.94022 hours remaining, 208.910156 MB of memory in use. ENERGY: 1480800 731.6080 2071.0482 1901.9309 115.5806 -205708.6808 17535.7931 0.0000 0.0000 33958.9786 -149393.7415 296.5722 -183352.7201 -149298.9516 298.5377 -158.1524 -124.0566 557946.9755 -9.8616 -9.8473 PRESSURE: 1481000 -185.006 140.203 37.1616 140.202 -102.862 22.6689 37.1612 22.6685 -176.761 GPRESSURE: 1481000 -148.594 95.1553 3.26755 205.019 -49.5125 73.0187 91.5004 -31.7916 -158.917 PRESSAVG: 1481000 41.3685 7.20766 -18.9228 7.20761 16.9837 -47.5692 -18.9228 -47.5692 -8.52753 GPRESSAVG: 1481000 41.1719 9.03611 -21.227 5.33187 18.2121 -48.7133 -18.7011 -44.5672 -9.35717 TIMING: 1481000 CPU: 4419.19, 0.00296199/step Wall: 4419.19, 0.00296199/step, 2.89534 hours remaining, 208.910156 MB of memory in use. ENERGY: 1481000 766.9086 2083.2401 1941.0618 116.2074 -206093.3721 17723.2667 0.0000 0.0000 33998.8060 -149463.8815 296.9200 -183462.6875 -149365.6623 297.9891 -154.8764 -119.0077 557925.7019 16.6082 16.6756 PRESSURE: 1481200 -160.135 -120.399 38.341 -120.4 -509.02 69.2237 38.3403 69.2244 -138.503 GPRESSURE: 1481200 -116.254 -98.6184 -6.50147 -92.6132 -487.894 147.32 101.488 -41.1853 -112.314 PRESSAVG: 1481200 19.5116 2.25358 -11.9761 2.25352 -35.4651 -44.6479 -11.976 -44.6479 48.3751 GPRESSAVG: 1481200 18.7125 1.20795 -9.58839 2.52265 -36.3433 -45.6258 -11.8468 -43.6478 49.8519 TIMING: 1481200 CPU: 4419.78, 0.00297715/step Wall: 4419.78, 0.00297715/step, 2.91 hours remaining, 208.910156 MB of memory in use. ENERGY: 1481200 750.1434 2038.2799 1922.1631 124.2870 -205789.3331 17451.3293 0.0000 0.0000 34085.5189 -149417.6114 297.6773 -183503.1303 -149329.9556 298.5186 -269.2196 -238.8209 558865.3757 10.8072 10.7403 PRESSURE: 1481400 32.7611 -44.0507 -45.9552 -44.0495 -101.546 -232.019 -45.9553 -232.018 177.793 GPRESSURE: 1481400 15.9974 5.52256 -15.6073 -121.699 -26.3186 -128.277 28.8577 -293.877 209.331 PRESSAVG: 1481400 60.3891 -10.3505 36.5642 -10.3506 -102.658 44.514 36.5642 44.514 12.9193 GPRESSAVG: 1481400 60.5392 -10.5208 35.427 -10.2158 -102.473 46.567 35.3354 41.9148 12.5095 TIMING: 1481400 CPU: 4420.38, 0.00300311/step Wall: 4420.38, 0.00300311/step, 2.93521 hours remaining, 208.910156 MB of memory in use. ENERGY: 1481400 728.8827 2056.5119 1938.2885 124.2977 -206443.0425 17915.7625 0.0000 0.0000 34282.2173 -149397.0819 299.3951 -183679.2992 -149300.1493 298.4730 36.3360 66.3367 557326.5532 -9.7833 -9.8079 PRESSURE: 1481600 97.762 154.943 88.415 154.942 -44.0669 34.9106 88.4154 34.9091 -195.49 GPRESSURE: 1481600 156.99 158.01 109.7 129.924 -32.5858 30.5151 51.8196 78.6982 -166.998 PRESSAVG: 1481600 111.345 29.3501 -14.8556 29.3502 -101.545 6.13112 -14.8555 6.13101 -21.922 GPRESSAVG: 1481600 111.27 30.1292 -14.169 27.6047 -101.936 5.67766 -15.1137 6.28114 -21.7074 TIMING: 1481600 CPU: 4420.98, 0.00300158/step Wall: 4420.98, 0.00300158/step, 2.93355 hours remaining, 208.910156 MB of memory in use. ENERGY: 1481600 721.1087 2039.4993 1939.0693 120.8686 -206437.0467 17784.6496 0.0000 0.0000 34436.4619 -149395.3893 300.7422 -183831.8512 -149296.0920 299.8012 -47.2649 -14.1978 556503.6584 -4.0407 -4.1244 PRESSURE: 1481800 -45.6095 21.5474 -40.2542 21.5486 -321.29 16.7008 -40.2542 16.7004 10.6273 GPRESSURE: 1481800 -15.6096 58.3048 -64.7806 -50.6501 -273.527 4.92999 -87.4411 73.6778 25.0427 PRESSAVG: 1481800 62.5051 6.21058 -62.3167 6.2106 6.77262 -13.8927 -62.3165 -13.8927 -21.8064 GPRESSAVG: 1481800 62.7051 6.15865 -61.8159 7.20091 6.35334 -13.8055 -60.7172 -14.1205 -21.6303 TIMING: 1481800 CPU: 4421.58, 0.00297211/step Wall: 4421.58, 0.00297211/step, 2.90458 hours remaining, 208.968750 MB of memory in use. ENERGY: 1481800 756.0527 2069.1703 1923.6572 122.7943 -206226.5080 17669.6384 0.0000 0.0000 34217.2930 -149467.9021 298.8281 -183685.1951 -149371.6348 299.0613 -118.7574 -88.0314 557131.1325 15.8238 15.8094 PRESSURE: 1482000 345.588 44.2558 -48.4413 44.2544 -109.557 -66.0791 -48.4408 -66.0791 -41.0671 GPRESSURE: 1482000 383.439 52.0516 1.22518 57.0791 -50.7877 20.3905 -171.036 -176.988 -29.1125 PRESSAVG: 1482000 28.2367 -35.6166 -13.2677 -35.6167 -37.4299 86.7426 -13.2677 86.7426 -16.9164 GPRESSAVG: 1482000 26.218 -36.6327 -13.2185 -33.6156 -35.6376 85.9883 -14.0808 87.1175 -17.3967 TIMING: 1482000 CPU: 4422.17, 0.002966/step Wall: 4422.17, 0.002966/step, 2.89845 hours remaining, 208.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1482000 762.2775 2050.6904 1924.6399 122.4265 -206816.7489 18255.0905 0.0000 0.0000 34385.5705 -149316.0537 300.2977 -183701.6243 -149210.9620 299.1909 64.9880 101.1795 557656.7172 -8.7032 -8.9388 PRESSURE: 1482200 94.1208 -59.7678 132.404 -59.7685 -165.813 -87.3959 132.403 -87.3968 -26.5884 GPRESSURE: 1482200 86.8443 -13.8048 82.3345 -77.2151 -116.308 -11.8271 150.177 -162.537 28.6806 PRESSAVG: 1482200 -38.1793 -2.6114 27.981 -2.61134 -70.8929 -35.837 27.9809 -35.8369 118.502 GPRESSAVG: 1482200 -36.499 -0.0945307 28.8086 -6.36806 -71.5607 -36.9424 28.4108 -34.335 116.847 TIMING: 1482200 CPU: 4422.77, 0.00297939/step Wall: 4422.77, 0.00297939/step, 2.91136 hours remaining, 208.968750 MB of memory in use. ENERGY: 1482200 727.4405 2109.4229 1918.1935 110.8307 -206270.0280 17808.4225 0.0000 0.0000 34250.4340 -149345.2839 299.1176 -183595.7179 -149243.9856 299.2043 -32.7603 -0.2609 557541.7796 3.1434 2.9291 PRESSURE: 1482400 -152.041 -48.873 -28.0597 -48.8729 -48.0801 21.8077 -28.0598 21.8099 -184.048 GPRESSURE: 1482400 -113.354 -51.4655 -137.605 -35.5947 -43.8613 -82.9285 -13.2013 60.2968 -131.375 PRESSAVG: 1482400 -35.6914 -10.0519 5.27688 -10.0519 63.8619 -30.7287 5.277 -30.7286 -38.4159 GPRESSAVG: 1482400 -34.5653 -10.3919 2.31251 -7.59134 62.5962 -30.0548 4.71545 -31.3718 -38.0688 TIMING: 1482400 CPU: 4423.36, 0.00298098/step Wall: 4423.36, 0.00298098/step, 2.91275 hours remaining, 208.968750 MB of memory in use. ENERGY: 1482400 719.7424 2059.6859 1900.0658 122.0165 -205858.6055 17553.6518 0.0000 0.0000 34138.5600 -149364.8832 298.1405 -183503.4432 -149265.7965 298.4537 -128.0562 -96.1968 558450.5215 -3.4151 -3.3460 PRESSURE: 1482600 157.087 -99.9364 212.73 -99.938 -325.368 -40.9983 212.729 -40.9983 83.9335 GPRESSURE: 1482600 148.798 -125.126 221.691 -81.4642 -270.887 -21.9318 244.769 6.76488 133.742 PRESSAVG: 1482600 5.182 -33.0746 -26.8724 -33.0746 11.0049 -18.6607 -26.8724 -18.6607 -9.82559 GPRESSAVG: 1482600 3.37726 -34.1359 -26.0911 -32.7218 12.0755 -17.4804 -27.0748 -20.4897 -8.65691 TIMING: 1482600 CPU: 4423.96, 0.00297508/step Wall: 4423.96, 0.00297508/step, 2.90682 hours remaining, 208.968750 MB of memory in use. ENERGY: 1482600 766.5006 2089.5097 1924.0418 114.9816 -206050.8363 17633.5128 0.0000 0.0000 34355.8244 -149166.4653 300.0380 -183522.2898 -149072.6635 299.1099 -28.1156 3.8845 556744.8654 2.1205 2.2653 PRESSURE: 1482800 -2.4885 70.1649 -51.4538 70.165 264.195 100.615 -51.455 100.615 -164.303 GPRESSURE: 1482800 16.6914 77.8213 -131.737 89.0983 283.261 74.4556 -73.4879 114.237 -111.647 PRESSAVG: 1482800 -77.4613 -26.3973 -8.53626 -26.3973 69.4751 2.55802 -8.53617 2.55797 -12.2342 GPRESSAVG: 1482800 -77.5328 -26.5002 -9.36035 -26.9418 66.9238 1.99298 -7.83752 3.13545 -10.7866 TIMING: 1482800 CPU: 4424.56, 0.00302055/step Wall: 4424.56, 0.00302055/step, 2.95107 hours remaining, 208.968750 MB of memory in use. ENERGY: 1482800 739.6457 2082.2000 1938.7698 118.3226 -206116.9259 17807.2160 0.0000 0.0000 34167.3281 -149263.4437 298.3918 -183430.7718 -149174.6749 299.4641 32.4679 62.7686 557864.3536 -6.7401 -7.1319 PRESSURE: 1483000 -118.413 -74.5531 -150.159 -74.5532 -118.268 184.78 -150.159 184.778 105.217 GPRESSURE: 1483000 -102.282 -103.07 -168.41 2.38667 -86.0322 245.656 -41.3893 197.957 151.916 PRESSAVG: 1483000 -16.2157 48.1849 -12.8463 48.1849 -1.54808 0.149588 -12.8463 0.149575 8.02495 GPRESSAVG: 1483000 -15.5304 49.8344 -10.6596 47.6508 -0.531781 0.888112 -14.1663 0.297433 6.16541 TIMING: 1483000 CPU: 4425.16, 0.00298361/step Wall: 4425.16, 0.00298361/step, 2.91482 hours remaining, 208.968750 MB of memory in use. ENERGY: 1483000 753.1013 2048.3002 1900.3609 98.2376 -206027.7960 17727.3796 0.0000 0.0000 34134.4433 -149365.9731 298.1046 -183500.4164 -149268.6460 299.2272 -43.8215 -12.1325 557425.8133 -3.2463 -3.2989 PRESSURE: 1483200 -50.2961 86.2829 -24.5443 86.2834 -127.872 -59.2237 -24.5442 -59.2238 468.559 GPRESSURE: 1483200 -79.9757 73.6709 -0.297023 40.314 -44.4255 13.6983 -19.5015 -85.4985 523.942 PRESSAVG: 1483200 -31.0228 26.2449 23.3278 26.245 7.31209 41.0843 23.3277 41.0842 14.116 GPRESSAVG: 1483200 -32.0723 24.995 20.7744 24.9017 6.88803 40.7053 25.8341 41.1833 15.7343 TIMING: 1483200 CPU: 4425.75, 0.00297387/step Wall: 4425.75, 0.00297387/step, 2.90514 hours remaining, 208.968750 MB of memory in use. ENERGY: 1483200 771.8337 2139.1099 1934.4826 106.1132 -206758.5971 18143.3444 0.0000 0.0000 34296.4735 -149367.2397 299.5196 -183663.7132 -149269.9912 299.4089 96.7970 133.1803 556640.5790 -3.1982 -3.1500 PRESSURE: 1483400 92.8521 -7.35945 -108.992 -7.35929 -25.7127 33.4815 -108.992 33.4812 87.469 GPRESSURE: 1483400 136.309 -32.3972 -55.7475 -9.98152 13.5513 -80.9972 -90.8163 133.153 104.194 PRESSAVG: 1483400 -87.5138 -7.27288 -43.369 -7.27287 62.7763 37.628 -43.369 37.6279 38.0036 GPRESSAVG: 1483400 -86.2042 -6.6384 -40.7249 -5.72169 64.4891 37.5106 -45.1611 39.2716 35.7829 TIMING: 1483400 CPU: 4426.35, 0.00297899/step Wall: 4426.35, 0.00297899/step, 2.90998 hours remaining, 208.968750 MB of memory in use. ENERGY: 1483400 769.6362 2012.0485 1932.4636 102.0286 -206552.9643 18050.9316 0.0000 0.0000 34246.5340 -149439.3218 299.0835 -183685.8558 -149339.6316 298.9667 51.5361 84.6850 557478.2667 4.4220 4.6893 PRESSURE: 1483600 -140.545 -74.3582 72.8902 -74.3593 -204.1 73.7198 72.8906 73.7204 -39.8551 GPRESSURE: 1483600 -105.062 -71.1801 -4.43965 -73.5088 -156.095 121.64 154.535 23.5333 -36.1336 PRESSAVG: 1483600 -104.145 -30.9005 -73.5359 -30.9004 47.8162 20.3618 -73.5359 20.3618 34.4376 GPRESSAVG: 1483600 -103.407 -31.502 -75.6227 -30.9369 46.3244 19.57 -73.8309 20.4683 35.1591 TIMING: 1483600 CPU: 4426.94, 0.00297227/step Wall: 4426.94, 0.00297227/step, 2.90325 hours remaining, 208.968750 MB of memory in use. ENERGY: 1483600 768.6805 2089.1797 1941.7859 97.4449 -206458.8460 17879.0031 0.0000 0.0000 34163.2851 -149519.4669 298.3565 -183682.7519 -149429.5494 298.7847 -128.1666 -99.0968 558131.7680 -7.2970 -7.3077 PRESSURE: 1483800 -215.812 171.984 114.755 171.984 26.4966 101.476 114.756 101.477 123.101 GPRESSURE: 1483800 -175.676 202.748 120.634 189.139 71.7773 56.7871 170.708 194.381 143.738 PRESSAVG: 1483800 -52.9881 25.5945 36.8523 25.5943 40.126 34.7424 36.8522 34.7424 41.7802 GPRESSAVG: 1483800 -52.8111 27.2211 38.2424 27.1762 40.5371 31.7779 38.5969 36.115 41.208 TIMING: 1483800 CPU: 4427.54, 0.00300949/step Wall: 4427.54, 0.00300949/step, 2.93943 hours remaining, 208.968750 MB of memory in use. ENERGY: 1483800 745.2178 2090.3296 1939.9490 107.1463 -206579.0355 17855.2680 0.0000 0.0000 34154.4742 -149686.6505 298.2795 -183841.1248 -149586.5855 297.9633 -22.0716 13.2799 557486.8333 9.6394 9.6446 PRESSURE: 1484000 -560.064 239.398 67.2375 239.397 -275.631 -40.4422 67.2372 -40.4418 -250.424 GPRESSURE: 1484000 -496.987 243.949 83.8887 165.636 -243.322 16.4578 57.4544 -24.5919 -242.15 PRESSAVG: 1484000 -36.8984 54.0078 55.3488 54.0078 103.288 6.88774 55.3489 6.88784 -10.6451 GPRESSAVG: 1484000 -38.4252 53.4296 56.1343 51.7728 103.309 9.9191 54.0386 6.48782 -9.60323 TIMING: 1484000 CPU: 4428.15, 0.0030037/step Wall: 4428.15, 0.0030037/step, 2.93361 hours remaining, 208.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1484000 765.0482 2050.5048 1929.9028 112.3768 -206124.0558 17495.7619 0.0000 0.0000 34240.7640 -149529.6973 299.0331 -183770.4614 -149432.6718 298.4956 -362.0398 -327.4860 558960.3505 18.5815 18.4269 PRESSURE: 1484200 -221.084 22.6903 -168.519 22.6892 28.6276 7.29807 -168.519 7.2971 -200.533 GPRESSURE: 1484200 -204.621 -20.8098 -192.679 29.218 74.8429 -61.0525 -208.747 23.9931 -172.785 PRESSAVG: 1484200 -61.8235 23.9909 -27.1038 23.9909 39.9013 -1.77243 -27.1039 -1.77248 31.9939 GPRESSAVG: 1484200 -62.0349 22.0477 -27.6765 24.5338 40.0033 -4.31484 -27.8534 -2.17829 31.3836 TIMING: 1484200 CPU: 4428.75, 0.0030318/step Wall: 4428.75, 0.0030318/step, 2.96089 hours remaining, 208.968750 MB of memory in use. ENERGY: 1484200 747.2501 2100.1247 1918.5169 103.5106 -206344.3189 17854.8757 0.0000 0.0000 34312.9674 -149307.0735 299.6637 -183620.0409 -149212.5206 298.8990 -130.9964 -100.8544 559137.1762 3.3572 3.1173 LDB: ============= START OF LOAD BALANCING ============== 4432.3 LDB: ============== END OF LOAD BALANCING =============== 4432.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4432.31 LDB: ============= START OF LOAD BALANCING ============== 4432.6 LDB: Largest compute 4773 load 0.025734 is 21.8% of average load 0.118194 LDB: Average compute 0.001730 is 1.5% of average load 0.118194 LDB: TIME 4432.61 LOAD: AVG 0.118194 MAX 0.21283 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 4432.61 LOAD: AVG 0.118194 MAX 0.21283 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.922 MB LDB: TIME 4432.61 LOAD: AVG 0.118194 MAX 0.21283 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.922 MB LDB: ============== END OF LOAD BALANCING =============== 4432.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4432.61 PRESSURE: 1484400 -50.5872 66.0756 47.9095 66.0761 -51.6439 11.2529 47.909 11.2535 -188.072 GPRESSURE: 1484400 31.8432 62.1386 61.9997 103.712 -9.39017 -21.4829 0.296641 -51.5106 -212.1 PRESSAVG: 1484400 7.52536 26.7265 -63.042 26.7265 21.4823 -27.9762 -63.0421 -27.9762 7.8272 GPRESSAVG: 1484400 8.45257 25.7453 -61.6724 27.7332 20.4236 -27.0725 -63.4661 -27.2039 8.58978 TIMING: 1484400 CPU: 4429.36, 0.00305645/step Wall: 4429.36, 0.00305645/step, 2.98479 hours remaining, 207.226562 MB of memory in use. ENERGY: 1484400 726.4780 2092.2382 1935.1771 104.3138 -206201.7256 17691.6883 0.0000 0.0000 34166.9754 -149484.8549 298.3887 -183651.8302 -149388.0923 299.2296 -96.7678 -63.2156 558752.2687 12.2783 12.4887 PRESSURE: 1484600 87.7702 -54.2841 11.6423 -54.2832 217.15 -264.03 11.6423 -264.031 -68.8738 GPRESSURE: 1484600 100.337 -56.7621 87.1173 -6.8952 262.577 -330.521 -42.1547 -186.225 -44.0331 PRESSAVG: 1484600 -36.9115 -25.1518 -63.0882 -25.1519 61.1657 -34.6961 -63.0883 -34.6961 -23.9591 GPRESSAVG: 1484600 -37.2584 -23.3636 -66.0302 -27.7278 61.9794 -34.5946 -62.3172 -34.7822 -25.2123 TIMING: 1484600 CPU: 4429.97, 0.00302975/step Wall: 4429.97, 0.00302975/step, 2.95855 hours remaining, 207.488281 MB of memory in use. ENERGY: 1484600 756.8404 2124.6727 1955.0138 113.9799 -206821.9015 18088.1277 0.0000 0.0000 34337.0259 -149446.2412 299.8738 -183783.2671 -149341.9412 298.9489 78.6821 106.2937 555773.7014 0.0984 -0.1637 PRESSURE: 1484800 -182.781 64.9468 59.713 64.9464 -128.857 128.119 59.7119 128.117 -106.747 GPRESSURE: 1484800 -167.742 15.6643 61.9665 139.923 -70.2009 141.043 51.4849 70.8154 -87.2419 PRESSAVG: 1484800 -19.8804 18.6103 -25.4912 18.6103 13.7796 50.8662 -25.4913 50.8664 -24.2865 GPRESSAVG: 1484800 -19.6959 17.4191 -24.3842 18.4482 14.4892 50.1734 -26.4162 49.9449 -25.0182 TIMING: 1484800 CPU: 4430.58, 0.00305233/step Wall: 4430.58, 0.00305233/step, 2.98043 hours remaining, 207.488281 MB of memory in use. ENERGY: 1484800 765.4727 2135.8665 1975.9230 120.4436 -206148.9302 17614.9791 0.0000 0.0000 34085.0294 -149451.2159 297.6730 -183536.2453 -149362.9213 299.0289 -139.4619 -108.3949 557910.3658 -10.1291 -10.0750 PRESSURE: 1485000 0.778536 -42.1864 -74.4053 -42.1864 -25.1711 -104.682 -74.4068 -104.681 204.203 GPRESSURE: 1485000 -48.9948 -160.26 -75.0396 -26.1663 68.4628 -145.081 -71.7748 -29.7385 245.54 PRESSAVG: 1485000 -10.9662 11.5503 8.50489 11.5503 -26.6652 -11.4566 8.50487 -11.4566 55.303 GPRESSAVG: 1485000 -9.66429 11.6114 8.30747 13.0994 -26.8641 -9.06144 8.12758 -11.699 54.1846 TIMING: 1485000 CPU: 4431.18, 0.0030253/step Wall: 4431.18, 0.0030253/step, 2.95387 hours remaining, 207.554688 MB of memory in use. ENERGY: 1485000 776.8969 2116.4051 1931.0610 107.9606 -206511.3928 17983.7342 0.0000 0.0000 34171.8158 -149423.5193 298.4310 -183595.3351 -149334.3578 298.5531 59.9367 88.3361 557337.6203 5.8905 5.8854 PRESSURE: 1485200 280.498 146.318 -114.906 146.318 -28.2155 -47.7777 -114.906 -47.7764 153.922 GPRESSURE: 1485200 318.108 124.305 -182.246 160.831 -39.3748 13.4432 -91.8138 -54.1653 234.24 PRESSAVG: 1485200 48.5663 19.3641 -26.5279 19.3642 -18.4001 23.6423 -26.5279 23.6423 -11.55 GPRESSAVG: 1485200 47.8055 19.9525 -26.3864 17.4658 -19.2313 23.5201 -26.6219 22.3894 -9.5217 TIMING: 1485200 CPU: 4431.79, 0.00302697/step Wall: 4431.79, 0.00302697/step, 2.95533 hours remaining, 207.554688 MB of memory in use. ENERGY: 1485200 723.5931 2090.8483 1929.3619 87.1664 -207298.8275 18390.3172 0.0000 0.0000 34355.5410 -149721.9997 300.0355 -184077.5407 -149621.8831 299.0374 135.4017 170.9910 556276.2129 6.2054 6.3509 PRESSURE: 1485400 -235.991 -140.544 146.673 -140.545 -103.954 236.284 146.674 236.284 -84.3737 GPRESSURE: 1485400 -226.283 -207.876 -3.86161 -116.994 -75.5981 259.398 260.021 197.091 -10.3059 PRESSAVG: 1485400 3.60286 48.0616 -30.8357 48.0617 20.4222 22.1415 -30.8358 22.1416 62.6384 GPRESSAVG: 1485400 3.09653 49.3483 -30.8793 47.3063 20.8418 22.653 -30.0037 24.3363 62.0521 TIMING: 1485400 CPU: 4432.39, 0.00298306/step Wall: 4432.39, 0.00298306/step, 2.9123 hours remaining, 207.554688 MB of memory in use. ENERGY: 1485400 728.7032 2068.6714 1929.1176 123.1104 -206251.3890 17444.7026 0.0000 0.0000 34190.6594 -149766.4244 298.5955 -183957.0838 -149675.6992 298.5293 -141.4394 -104.0624 556330.0567 28.8878 28.6635 PRESSURE: 1485600 -156.643 -33.1963 -175.269 -33.196 182.149 53.4599 -175.27 53.4606 306.03 GPRESSURE: 1485600 -77.4465 -71.2764 -220.062 37.5166 228.255 139.717 -220.682 -4.95072 267.573 PRESSAVG: 1485600 -136.078 25.6726 -15.1962 25.6726 46.7057 43.497 -15.1962 43.497 49.9399 GPRESSAVG: 1485600 -134.923 24.0998 -17.0633 27.7751 46.9618 42.2487 -14.0024 43.0149 48.8501 TIMING: 1485600 CPU: 4432.98, 0.00298845/step Wall: 4432.98, 0.00298845/step, 2.91739 hours remaining, 207.554688 MB of memory in use. ENERGY: 1485600 710.0066 2071.1674 1957.6478 105.1644 -207040.2149 18110.6651 0.0000 0.0000 34404.6438 -149680.9198 300.4643 -184085.5636 -149586.7199 298.8427 110.5120 139.4606 556954.4281 -13.1443 -13.0371 PRESSURE: 1485800 -124.301 75.5633 -161.531 75.5626 -42.7632 -92.9624 -161.531 -92.9633 36.6045 GPRESSURE: 1485800 -107.373 115.318 -165.576 -11.6953 -24.04 -97.994 -152.172 -88.6809 96.2438 PRESSAVG: 1485800 -38.8603 -0.933349 -56.0439 -0.933428 -20.0562 58.8666 -56.044 58.8666 60.5902 GPRESSAVG: 1485800 -39.2253 -1.1897 -54.7709 -0.731978 -20.4434 57.907 -57.0654 58.9145 61.5782 TIMING: 1485800 CPU: 4433.58, 0.00299866/step Wall: 4433.58, 0.00299866/step, 2.92719 hours remaining, 207.554688 MB of memory in use. ENERGY: 1485800 705.9283 2010.6721 1934.9894 107.7355 -206256.4523 17719.4318 0.0000 0.0000 34192.0954 -149585.5999 298.6081 -183777.6952 -149489.1859 298.8276 -43.4866 -11.7232 557058.0192 0.5579 0.6365 PRESSURE: 1486000 -113.487 -30.1899 -41.7499 -30.1904 -108.153 106.063 -41.7495 106.064 141.366 GPRESSURE: 1486000 -100.774 65.3832 -64.8066 -35.9267 -49.8567 129.857 -36.9037 128.682 169.726 PRESSAVG: 1486000 -11.5258 -0.344016 -93.6717 -0.344073 -6.48568 67.5999 -93.6717 67.5998 -0.572066 GPRESSAVG: 1486000 -11.8373 -1.23585 -93.5475 0.326454 -6.07551 69.2304 -91.4636 66.9438 -0.482831 TIMING: 1486000 CPU: 4434.18, 0.00298794/step Wall: 4434.18, 0.00298794/step, 2.91657 hours remaining, 207.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1486000 750.4761 2048.8123 1916.3568 112.6572 -206615.1757 17954.5920 0.0000 0.0000 34270.6401 -149561.6412 299.2940 -183832.2813 -149456.4042 298.8512 -26.7581 6.3653 557645.2001 -6.1945 -6.1319 PRESSURE: 1486200 -175.217 122.148 -91.0599 122.148 -46.4008 148.941 -91.0607 148.942 -206.37 GPRESSURE: 1486200 -136.959 111.699 -66.4939 73.9937 -32.0872 134.125 -71.9338 252.992 -154.894 PRESSAVG: 1486200 8.85139 28.6368 -59.4473 28.6367 -5.13691 57.9186 -59.4473 57.9186 30.266 GPRESSAVG: 1486200 8.63057 31.3647 -58.2523 26.1851 -4.91745 55.4211 -61.3059 58.1472 30.3209 TIMING: 1486200 CPU: 4434.78, 0.00297394/step Wall: 4434.78, 0.00297394/step, 2.90273 hours remaining, 207.554688 MB of memory in use. ENERGY: 1486200 711.8709 2077.7207 1925.3218 134.0998 -206303.8660 17551.5362 0.0000 0.0000 34357.2043 -149546.1123 300.0500 -183903.3166 -149449.8234 298.1787 -142.6627 -107.9800 557691.4402 11.3268 11.3447 PRESSURE: 1486400 222.251 38.4764 -12.9684 38.4766 121.367 95.0168 -12.9681 95.0182 -256.147 GPRESSURE: 1486400 217.757 121.099 39.0509 -13.3649 167.18 119.331 -135.568 16.4514 -185.861 PRESSAVG: 1486400 17.634 39.2123 -72.7199 39.2124 -5.41212 38.6371 -72.7199 38.6371 -14.3333 GPRESSAVG: 1486400 17.4678 36.9124 -71.1428 41.0846 -5.35426 40.3935 -74.5424 38.4077 -14.1405 TIMING: 1486400 CPU: 4435.38, 0.00299322/step Wall: 4435.38, 0.00299322/step, 2.92138 hours remaining, 207.554688 MB of memory in use. ENERGY: 1486400 723.6808 2113.1413 1943.2245 120.6668 -206359.5712 17834.8821 0.0000 0.0000 34099.4892 -149524.4866 297.7993 -183623.9758 -149432.1776 298.4852 29.1570 66.3586 557032.8315 -0.7038 -0.6757 PRESSURE: 1486600 134.719 30.3147 -122.748 30.3149 153.514 -79.2844 -122.746 -79.2839 -14.7108 GPRESSURE: 1486600 107.736 41.7291 -118.568 -7.81983 194.432 -103.024 -167.519 -11.9039 69.2612 PRESSAVG: 1486600 52.9678 15.6204 -106.067 15.6205 -16.8967 -12.2236 -106.067 -12.2237 -36.0744 GPRESSAVG: 1486600 53.3725 16.9293 -108.53 14.6096 -17.6243 -10.9256 -103.011 -13.4917 -35.4558 TIMING: 1486600 CPU: 4435.98, 0.00301515/step Wall: 4435.98, 0.00301515/step, 2.94262 hours remaining, 207.554688 MB of memory in use. ENERGY: 1486600 730.2990 2063.1383 1908.3479 104.3696 -206665.3478 18061.8724 0.0000 0.0000 34181.4554 -149615.8653 298.5152 -183797.3207 -149516.3601 298.7793 91.1739 123.8097 557236.3103 -0.0011 0.0975 PRESSURE: 1486800 135.869 202.286 -240.473 202.285 238.015 -123.758 -240.472 -123.757 28.8678 GPRESSURE: 1486800 166.734 280.841 -232.074 141.826 249.579 -100.076 -235.061 -133.128 85.4821 PRESSAVG: 1486800 -15.9465 20.3818 -87.5025 20.3818 56.7244 -57.0208 -87.5026 -57.0208 -40.5208 GPRESSAVG: 1486800 -16.1747 21.9796 -86.5949 20.1152 56.5697 -58.7955 -88.3076 -56.4325 -40.3451 TIMING: 1486800 CPU: 4436.58, 0.00302786/step Wall: 4436.58, 0.00302786/step, 2.95486 hours remaining, 207.554688 MB of memory in use. ENERGY: 1486800 733.6467 2069.2492 1921.8948 119.3610 -206633.5131 17962.3437 0.0000 0.0000 34238.1171 -149588.9006 299.0100 -183827.0176 -149494.7432 298.7805 134.2509 167.2651 557482.8667 0.0857 0.0166 PRESSURE: 1487000 -12.853 -74.0453 64.5017 -74.046 179.975 41.2778 64.5012 41.2779 73.4318 GPRESSURE: 1487000 -1.79177 -88.2601 31.036 -112.335 195.069 38.312 85.7927 26.8558 128.82 PRESSAVG: 1487000 -25.3986 54.1639 -91.1939 54.1638 -8.25005 -9.67276 -91.1939 -9.67288 -2.93063 GPRESSAVG: 1487000 -26.0938 51.6272 -91.1525 55.9163 -8.68679 -7.40459 -92.2523 -10.6372 -1.9397 TIMING: 1487000 CPU: 4437.19, 0.00301537/step Wall: 4437.19, 0.00301537/step, 2.9425 hours remaining, 207.554688 MB of memory in use. ENERGY: 1487000 723.2577 2094.7128 1925.7584 104.4193 -206166.2733 17653.3516 0.0000 0.0000 34130.0837 -149534.6898 298.0665 -183664.7735 -149437.0417 298.2995 80.1845 107.3657 557490.2862 -12.1931 -12.2401 PRESSURE: 1487200 90.876 -42.1793 3.492 -42.1798 41.8673 178.678 3.49055 178.68 -149.156 GPRESSURE: 1487200 73.2603 -74.8721 -45.6078 -1.65471 73.3196 75.3232 48.1842 209.47 -81.9221 PRESSAVG: 1487200 -12.8317 -10.7301 -89.6418 -10.7301 -49.6373 34.4612 -89.6417 34.4613 70.6732 GPRESSAVG: 1487200 -12.4049 -9.11192 -89.9078 -11.1206 -48.4519 33.7851 -88.9625 35.378 68.8761 TIMING: 1487200 CPU: 4437.79, 0.00301307/step Wall: 4437.79, 0.00301307/step, 2.94009 hours remaining, 207.554688 MB of memory in use. ENERGY: 1487200 738.0183 2116.5015 1947.1642 129.4781 -206623.6804 17837.0863 0.0000 0.0000 34201.2412 -149654.1907 298.6879 -183855.4320 -149558.3893 298.1101 -5.4708 21.5526 556757.4870 2.7348 2.6731 PRESSURE: 1487400 338.844 34.4613 28.7432 34.4617 193.986 143.256 28.744 143.257 377.01 GPRESSURE: 1487400 366.746 49.5013 21.2445 5.38986 284.878 145.06 -14.3072 108.827 369.38 PRESSAVG: 1487400 -30.1033 -4.63968 -67.1443 -4.63959 -0.575903 45.0648 -67.1443 45.0647 33.5866 GPRESSAVG: 1487400 -28.7193 -4.87058 -66.4724 -4.93059 -1.71303 42.8779 -66.6909 46.0903 33.8835 TIMING: 1487400 CPU: 4438.39, 0.00299209/step Wall: 4438.39, 0.00299209/step, 2.91945 hours remaining, 207.554688 MB of memory in use. ENERGY: 1487400 752.1115 2085.3185 1929.0560 111.7058 -206937.0123 18304.8528 0.0000 0.0000 34173.0420 -149580.9257 298.4417 -183753.9677 -149491.6528 298.1893 303.2798 340.3345 555436.4892 0.9691 1.1504 PRESSURE: 1487600 122.797 112.509 -231.102 112.508 31.8561 186.894 -231.101 186.895 30.9903 GPRESSURE: 1487600 160.367 91.4071 -199.622 44.1077 102.892 201.092 -258.055 115.359 21.3103 PRESSAVG: 1487600 41.4952 9.69178 -29.7966 9.69185 -6.05554 22.3331 -29.7965 22.333 15.4639 GPRESSAVG: 1487600 40.6509 8.67418 -28.8077 10.2773 -6.06701 22.9255 -29.7109 22.9764 16.5273 TIMING: 1487600 CPU: 4438.99, 0.00302672/step Wall: 4438.99, 0.00302672/step, 2.95307 hours remaining, 207.554688 MB of memory in use. ENERGY: 1487600 746.6784 2020.6659 1945.8802 113.9021 -206633.1263 18058.4839 0.0000 0.0000 34316.7810 -149430.7347 299.6970 -183747.5157 -149321.8281 298.4971 61.8812 94.8564 557762.4501 16.9678 17.0371 PRESSURE: 1487800 -164.193 40.6293 -103.638 40.6289 -62.0055 -33.2471 -103.638 -33.246 132.992 GPRESSURE: 1487800 -129.248 114.464 -119.306 40.4274 1.98719 7.14926 -30.291 -35.9979 136.822 PRESSAVG: 1487800 1.29763 16.9578 -47.6297 16.9577 -7.25084 -22.8243 -47.6297 -22.8243 -5.68802 GPRESSAVG: 1487800 0.988178 17.7241 -50.2561 15.1128 -6.23359 -20.7913 -47.8186 -24.8927 -6.20146 TIMING: 1487800 CPU: 4439.59, 0.00298599/step Wall: 4439.59, 0.00298599/step, 2.91316 hours remaining, 207.554688 MB of memory in use. ENERGY: 1487800 744.8227 2098.9526 1908.4340 118.5800 -206105.7205 17790.3184 0.0000 0.0000 34109.5942 -149335.0187 297.8876 -183444.6129 -149242.9579 298.8650 -31.0687 3.1870 556941.9438 -3.8804 -3.8156 PRESSURE: 1488000 -65.0809 112.538 241.683 112.537 -100.287 92.2207 241.682 92.2192 -137.015 GPRESSURE: 1488000 -20.2379 27.1892 236.834 113.589 -103.482 45.2656 204.122 119.165 -83.2033 PRESSAVG: 1488000 35.3394 51.4218 46.5557 51.4217 -19.5076 -65.1632 46.5557 -65.1632 -56.6806 GPRESSAVG: 1488000 36.1223 51.8883 47.1465 52.0913 -19.7771 -66.1299 46.7587 -64.5679 -56.977 TIMING: 1488000 CPU: 4440.2, 0.00303263/step Wall: 4440.2, 0.00303263/step, 2.9585 hours remaining, 207.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1488000 708.0021 2053.5320 1934.0504 114.0473 -206010.7298 17634.3372 0.0000 0.0000 34223.6393 -149343.1216 298.8836 -183566.7608 -149253.4754 298.9401 -100.7945 -68.9745 557180.5762 -13.6163 -13.5440 PRESSURE: 1488200 -182.984 -56.9613 10.1591 -56.9614 -177.258 20.4384 10.1599 20.4391 -98.2732 GPRESSURE: 1488200 -164.464 -23.92 -24.8355 -20.5055 -88.1349 23.1839 -33.5038 -9.1719 -119.146 PRESSAVG: 1488200 -27.1029 21.0649 -1.96959 21.0648 1.40651 -68.1113 -1.96954 -68.1113 34.293 GPRESSAVG: 1488200 -28.1284 20.1809 0.797866 19.7412 0.493364 -66.65 -2.91843 -67.1252 35.8933 TIMING: 1488200 CPU: 4440.8, 0.00301749/step Wall: 4440.8, 0.00301749/step, 2.94356 hours remaining, 207.554688 MB of memory in use. ENERGY: 1488200 722.6425 2073.6508 1913.2851 98.1821 -205901.2957 17516.0694 0.0000 0.0000 34258.7968 -149318.6690 299.1906 -183577.4659 -149223.2958 299.4856 -152.8386 -123.9150 557575.2062 2.8655 2.7528 LDB: ============= START OF LOAD BALANCING ============== 4444.35 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4444.35 LDB: =============== DONE WITH MIGRATION ================ 4444.35 LDB: ============= START OF LOAD BALANCING ============== 4444.65 LDB: Largest compute 4773 load 0.026670 is 22.5% of average load 0.118358 LDB: Average compute 0.001733 is 1.5% of average load 0.118358 LDB: TIME 4444.65 LOAD: AVG 0.118358 MAX 0.212055 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 4444.65 LOAD: AVG 0.118358 MAX 0.212055 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: TIME 4444.65 LOAD: AVG 0.118358 MAX 0.212055 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: ============== END OF LOAD BALANCING =============== 4444.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4444.66 PRESSURE: 1488400 -20.7179 73.1509 -35.1099 73.1504 41.3765 -143.084 -35.1085 -143.085 25.6888 GPRESSURE: 1488400 42.776 76.3441 -9.11145 23.9265 108.474 -29.9326 26.383 -171.789 8.81528 PRESSAVG: 1488400 21.8679 -10.2602 1.09229 -10.2601 57.8512 7.07673 1.0923 7.07672 -80.1777 GPRESSAVG: 1488400 21.9855 -8.69909 -2.45818 -10.5004 58.0128 5.71114 2.13702 7.44071 -80.7239 TIMING: 1488400 CPU: 4441.41, 0.0030547/step Wall: 4441.41, 0.0030547/step, 2.97969 hours remaining, 207.484375 MB of memory in use. ENERGY: 1488400 711.6621 2094.1070 1915.4538 129.6447 -206036.7980 17774.6330 0.0000 0.0000 34128.5535 -149282.7440 298.0531 -183411.2975 -149188.0172 299.0052 15.4492 53.3551 556855.2602 -0.1529 -0.2418 PRESSURE: 1488600 189.819 -39.9931 179.543 -39.9921 191.337 91.1532 179.541 91.1532 101.325 GPRESSURE: 1488600 231.208 -50.4496 153.437 -42.2524 258.329 37.6852 212.293 107.034 100.216 PRESSAVG: 1488600 13.7716 -76.4638 27.2325 -76.4638 11.7109 -22.3583 27.2326 -22.3582 -71.6583 GPRESSAVG: 1488600 14.4629 -76.4008 29.3982 -74.2594 11.7751 -21.8907 27.1255 -25.2311 -72.2541 TIMING: 1488600 CPU: 4442.02, 0.00302116/step Wall: 4442.02, 0.00302116/step, 2.94681 hours remaining, 207.484375 MB of memory in use. ENERGY: 1488600 688.5813 2026.2669 1919.0816 111.9846 -206162.7245 17903.3384 0.0000 0.0000 34220.4789 -149292.9927 298.8560 -183513.4717 -149195.9681 299.1581 160.8267 196.5843 556025.4031 -15.3919 -15.3387 PRESSURE: 1488800 -32.4239 92.681 -142.143 92.6807 111.802 66.5234 -142.141 66.5219 113.005 GPRESSURE: 1488800 8.0593 87.6865 -123.518 111.52 114.087 157.262 -157.954 22.9363 171.212 PRESSAVG: 1488800 1.25237 17.3955 7.85912 17.3954 -35.4106 37.7695 7.85903 37.7695 23.1233 GPRESSAVG: 1488800 0.000347769 16.6378 7.7507 15.0857 -33.7499 36.7661 7.78237 41.5323 22.9104 TIMING: 1488800 CPU: 4442.62, 0.00300609/step Wall: 4442.62, 0.00300609/step, 2.93194 hours remaining, 207.484375 MB of memory in use. ENERGY: 1488800 741.0131 2061.7471 1900.0352 114.1396 -206188.3151 17877.6452 0.0000 0.0000 34333.3642 -149160.3707 299.8418 -183493.7349 -149062.0150 299.0784 64.1276 97.7860 557344.0834 -3.6783 -3.6130 PRESSURE: 1489000 20.91 150.482 99.1665 150.482 -72.8394 24.7625 99.1672 24.7618 -132.422 GPRESSURE: 1489000 44.0659 168.109 92.4909 237.277 -46.5046 4.5065 115.148 19.5326 -73.8858 PRESSAVG: 1489000 25.3899 -6.06933 -47.6775 -6.06939 13.701 37.1828 -47.6777 37.1826 23.2961 GPRESSAVG: 1489000 26.0188 -7.85466 -46.9074 -3.00026 12.3784 39.199 -48.2766 34.4775 24.336 TIMING: 1489000 CPU: 4443.21, 0.00296855/step Wall: 4443.21, 0.00296855/step, 2.89516 hours remaining, 207.484375 MB of memory in use. ENERGY: 1489000 757.4884 2104.7168 1916.3039 95.7800 -205955.3543 17559.5275 0.0000 0.0000 34488.8602 -149032.6776 301.1998 -183521.5377 -148932.2741 299.6815 -61.4505 -25.4415 557972.0441 20.7957 20.9111 PRESSURE: 1489200 39.0331 -87.3843 40.5862 -87.3836 -218.214 72.043 40.5868 72.042 -247.136 GPRESSURE: 1489200 71.5937 -4.72964 27.6212 -49.4774 -231.284 18.1241 12.3892 176.431 -184.22 PRESSAVG: 1489200 87.8222 -9.01371 38.2264 -9.01378 -37.3519 10.265 38.2264 10.2649 -66.7821 GPRESSAVG: 1489200 87.3832 -7.88262 37.246 -12.027 -37.4902 8.90599 38.9664 12.2449 -66.3526 TIMING: 1489200 CPU: 4443.8, 0.00296675/step Wall: 4443.8, 0.00296675/step, 2.89324 hours remaining, 207.484375 MB of memory in use. ENERGY: 1489200 740.3921 2036.0506 1894.1778 109.8721 -205589.7139 17520.9244 0.0000 0.0000 34188.5804 -149099.7166 298.5774 -183288.2969 -149000.8744 300.1507 -142.1057 -114.6365 559663.1321 -5.4373 -5.4866 PRESSURE: 1489400 -6.1698 164.487 109.355 164.487 -110.701 -72.836 109.353 -72.8381 79.6662 GPRESSURE: 1489400 -18.0543 108.846 4.30696 123.076 -30.8266 -89.3631 102.62 -41.5592 107.639 PRESSAVG: 1489400 37.5111 -25.8413 11.3814 -25.8412 -54.4097 -5.692 11.3813 -5.69193 14.9703 GPRESSAVG: 1489400 37.9187 -25.9146 9.23583 -23.7999 -53.649 -5.70266 12.2515 -4.92225 13.9095 TIMING: 1489400 CPU: 4444.41, 0.00301715/step Wall: 4444.41, 0.00301715/step, 2.94222 hours remaining, 207.484375 MB of memory in use. ENERGY: 1489400 737.8001 2001.8897 1924.5907 113.3669 -206289.1973 17872.6975 0.0000 0.0000 34386.3020 -149252.5503 300.3041 -183638.8523 -149160.4134 299.8734 -12.4016 19.5859 557729.0444 -0.6428 -0.6070 PRESSURE: 1489600 -145.809 -46.4007 -110.859 -46.4002 -150.99 81.1015 -110.86 81.1003 -424.453 GPRESSURE: 1489600 -94.1601 30.1357 -52.6671 -131.433 -169.078 128.113 -63.9095 62.0071 -346.133 PRESSAVG: 1489600 41.6454 -51.6771 60.6149 -51.677 20.3787 -36.4252 60.615 -36.4253 -40.3639 GPRESSAVG: 1489600 41.8191 -49.5446 61.6309 -53.4918 20.1828 -37.5077 61.0589 -37.6441 -40.3085 TIMING: 1489600 CPU: 4445.01, 0.00301523/step Wall: 4445.01, 0.00301523/step, 2.94019 hours remaining, 207.484375 MB of memory in use. ENERGY: 1489600 719.9206 2044.8224 1913.4254 113.2602 -205901.2223 17582.3201 0.0000 0.0000 34206.0551 -149321.4184 298.7300 -183527.4736 -149220.1017 299.5011 -240.4169 -203.1238 560022.8649 7.2201 7.2311 PRESSURE: 1489800 144.928 3.81683 71.2323 3.81724 46.8962 122.536 71.2317 122.537 -71.6146 GPRESSURE: 1489800 197.467 43.9157 46.794 -13.5605 48.1989 117.332 68.9584 62.2194 -22.3427 PRESSAVG: 1489800 10.8577 -21.0271 -19.4281 -21.0272 -91.0658 -19.4569 -19.428 -19.4569 53.5216 GPRESSAVG: 1489800 10.275 -23.2219 -19.5426 -19.8267 -91.0405 -18.3757 -19.7151 -19.5922 53.8534 TIMING: 1489800 CPU: 4445.61, 0.00300087/step Wall: 4445.61, 0.00300087/step, 2.92601 hours remaining, 207.484375 MB of memory in use. ENERGY: 1489800 727.2018 2068.7507 1887.5522 112.6503 -206311.9006 17850.3014 0.0000 0.0000 34296.2863 -149369.1580 299.5180 -183665.4443 -149271.6177 298.7687 40.0698 74.4410 557731.8965 -8.8955 -8.9707 PRESSURE: 1490000 -16.4004 -92.7137 9.54618 -92.7144 52.3926 -11.88 9.54614 -11.8791 -74.094 GPRESSURE: 1490000 32.6565 -45.775 68.195 -121.737 37.2202 67.8313 -62.0541 -120.908 0.630916 PRESSAVG: 1490000 -22.086 16.798 -36.2496 16.798 -20.3541 15.3134 -36.2496 15.3134 28.0179 GPRESSAVG: 1490000 -21.8853 18.6873 -36.5928 16.2407 -21.1182 15.8321 -37.0308 13.9532 28.7671 TIMING: 1490000 CPU: 4446.21, 0.00302171/step Wall: 4446.21, 0.00302171/step, 2.94617 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1490000 753.0873 2050.0629 1908.9596 110.1289 -205818.8353 17545.6114 0.0000 0.0000 34040.6571 -149410.3280 297.2855 -183450.9851 -149322.4130 298.5721 -12.7006 23.5026 556790.5046 -4.8074 -4.7454 PRESSURE: 1490200 17.5389 6.31087 80.3773 6.30972 45.7226 -10.5239 80.3775 -10.5234 -168.34 GPRESSURE: 1490200 26.9092 -121.819 33.9185 45.4897 126.121 6.73266 72.4795 -4.02413 -148.122 PRESSAVG: 1490200 39.3747 30.9972 2.9235 30.9972 -41.2991 22.054 2.92351 22.054 6.86669 GPRESSAVG: 1490200 38.8603 28.1802 3.37442 31.9217 -40.9103 21.974 2.83348 23.2073 7.10604 TIMING: 1490200 CPU: 4446.81, 0.00298957/step Wall: 4446.81, 0.00298957/step, 2.91467 hours remaining, 207.484375 MB of memory in use. ENERGY: 1490200 722.6672 2034.4967 1918.2490 112.7038 -205982.7916 17710.1723 0.0000 0.0000 34072.2978 -149412.2049 297.5619 -183484.5027 -149312.6662 298.9251 -35.0261 1.6361 556885.1231 1.6474 1.6853 PRESSURE: 1490400 -44.2595 31.0403 -199.33 31.0406 56.4473 116.304 -199.332 116.304 -93.9925 GPRESSURE: 1490400 -41.4822 10.8554 -209.084 -25.6722 110.112 142.086 -180.112 81.8736 -42.2047 PRESSAVG: 1490400 -7.03577 -41.7357 -21.3492 -41.7356 56.3706 -4.88416 -21.3491 -4.88417 -1.997 GPRESSAVG: 1490400 -6.74571 -40.9865 -23.701 -41.3282 55.5244 -4.43314 -19.8976 -5.50759 -1.38506 TIMING: 1490400 CPU: 4447.42, 0.00301453/step Wall: 4447.42, 0.00301453/step, 2.93884 hours remaining, 207.484375 MB of memory in use. ENERGY: 1490400 736.8180 2074.4296 1894.2158 110.3340 -205919.1783 17601.9341 0.0000 0.0000 34080.6607 -149420.7861 297.6349 -183501.4468 -149322.5768 298.9766 -27.2682 8.8084 555766.6032 15.7793 15.7979 PRESSURE: 1490600 -81.0755 -97.3943 84.1429 -97.3943 -83.2957 -57.8475 84.1436 -57.8467 -12.0863 GPRESSURE: 1490600 -28.0428 -88.8808 2.09678 -68.0372 -8.20104 -108.425 142.376 -21.9393 -34.8434 PRESSAVG: 1490600 -21.5449 -33.8762 6.49987 -33.8761 13.0523 -7.73546 6.49976 -7.73537 16.2563 GPRESSAVG: 1490600 -21.8724 -29.9418 9.62449 -36.0291 13.3317 -6.42793 6.10032 -8.88025 16.1772 TIMING: 1490600 CPU: 4448.02, 0.00302056/step Wall: 4448.02, 0.00302056/step, 2.94454 hours remaining, 207.484375 MB of memory in use. ENERGY: 1490600 755.2721 2122.6947 1915.4145 104.9635 -206275.4883 17777.7379 0.0000 0.0000 34234.8476 -149364.5580 298.9814 -183599.4056 -149259.3610 299.0697 -58.8192 -23.6958 556695.3086 2.5879 2.5455 PRESSURE: 1490800 -183.868 127.901 37.659 127.9 -132.953 92.9232 37.6606 92.9243 -128.26 GPRESSURE: 1490800 -171.278 188.763 20.9629 154.033 -75.463 69.534 60.2955 139.086 -111.006 PRESSAVG: 1490800 -30.3618 -15.1581 18.2444 -15.1581 -17.098 19.1841 18.2444 19.1841 21.6793 GPRESSAVG: 1490800 -30.0871 -19.2636 17.5294 -12.6189 -18.0013 18.4381 18.1016 21.368 22.2146 TIMING: 1490800 CPU: 4448.62, 0.00301552/step Wall: 4448.62, 0.00301552/step, 2.93946 hours remaining, 207.484375 MB of memory in use. ENERGY: 1490800 748.0142 2151.2307 1917.1791 107.6759 -205924.4747 17529.6943 0.0000 0.0000 34115.1080 -149355.5726 297.9357 -183470.6806 -149256.2465 298.7543 -148.3603 -119.2492 556810.1698 -8.5935 -8.6246 PRESSURE: 1491000 115.905 12.4207 42.6447 12.4204 -133.235 235.525 42.6438 235.525 247.34 GPRESSURE: 1491000 92.1078 51.8642 35.6415 -4.58364 -34.031 296.814 109.757 211.005 275.19 PRESSAVG: 1491000 -49.5382 6.38347 -27.1989 6.3834 -43.1302 -5.39001 -27.1988 -5.38998 50.3057 GPRESSAVG: 1491000 -49.2202 7.96148 -28.1035 6.07364 -41.7159 -4.91797 -27.0361 -7.12283 49.4284 TIMING: 1491000 CPU: 4449.23, 0.00301796/step Wall: 4449.23, 0.00301796/step, 2.94167 hours remaining, 207.484375 MB of memory in use. ENERGY: 1491000 730.2599 2086.3123 1922.9764 119.0681 -206564.2851 17883.1934 0.0000 0.0000 34392.9938 -149429.4812 300.3626 -183822.4750 -149333.6960 299.0658 76.6699 111.0890 556018.4415 -14.1209 -13.8359 PRESSURE: 1491200 32.2386 29.6295 -99.1333 29.629 57.6105 -21.482 -99.132 -21.4819 192.749 GPRESSURE: 1491200 19.5656 6.69198 -73.7209 3.75624 80.3029 -22.3578 -19.4921 42.4828 259.496 PRESSAVG: 1491200 -17.5447 17.553 17.0959 17.553 -0.208366 -27.9798 17.096 -27.9797 58.5799 GPRESSAVG: 1491200 -18.1884 15.6396 17.29 17.9013 -0.739499 -27.5619 15.3148 -27.787 59.7554 TIMING: 1491200 CPU: 4449.83, 0.00301713/step Wall: 4449.83, 0.00301713/step, 2.94069 hours remaining, 207.484375 MB of memory in use. ENERGY: 1491200 722.0394 2105.9310 1887.8271 104.4075 -206558.6063 18136.7400 0.0000 0.0000 34080.9764 -149520.6848 297.6376 -183601.6613 -149419.9617 298.9001 94.1994 119.7883 556034.3113 13.6089 13.6092 PRESSURE: 1491400 -4.51131 -132.289 -28.1237 -132.289 -206.628 -2.59404 -28.1234 -2.59434 -347.631 GPRESSURE: 1491400 26.5809 -137.723 -24.9077 -100.326 -149.463 73.599 -41.2104 -24.1992 -318.261 PRESSAVG: 1491400 36.1224 -19.0408 -24.2348 -19.0407 32.718 -2.1749 -24.2349 -2.17484 -36.801 GPRESSAVG: 1491400 37.0291 -19.51 -22.7974 -18.1395 34.0341 -3.44179 -24.317 -2.01785 -38.7671 TIMING: 1491400 CPU: 4450.43, 0.00301091/step Wall: 4450.43, 0.00301091/step, 2.93446 hours remaining, 207.484375 MB of memory in use. ENERGY: 1491400 730.2843 2083.0163 1927.7945 94.6605 -205948.4278 17478.1522 0.0000 0.0000 34165.1010 -149469.4188 298.3723 -183634.5199 -149367.6731 298.5311 -186.2568 -147.0476 557682.4229 10.6798 10.7654 PRESSURE: 1491600 -81.1316 91.752 136.063 91.7523 -93.8086 -137.407 136.064 -137.406 -44.0783 GPRESSURE: 1491600 -38.975 61.515 131.682 89.6581 -69.3927 -81.1262 100.694 -179.274 -7.35686 PRESSAVG: 1491600 40.3086 11.1738 -6.62291 11.1738 -18.7339 -32.1139 -6.62299 -32.114 8.36809 GPRESSAVG: 1491600 39.867 13.1069 -8.95838 7.77435 -19.6882 -32.523 -6.55815 -32.4938 9.74778 TIMING: 1491600 CPU: 4451.03, 0.00300681/step Wall: 4451.03, 0.00300681/step, 2.9303 hours remaining, 207.484375 MB of memory in use. ENERGY: 1491600 715.5445 2031.6904 1904.4530 123.8831 -206213.7178 17608.9072 0.0000 0.0000 34296.3943 -149532.8452 299.5189 -183829.2395 -149433.6452 298.3930 -73.0062 -38.5748 556024.2584 9.9809 9.9755 PRESSURE: 1491800 -181.241 -84.678 76.0371 -84.6788 145.234 76.7093 76.0392 76.7104 -18.692 GPRESSURE: 1491800 -139.598 -92.8476 85.7157 -64.351 73.3468 65.8979 93.0474 126.025 108.273 PRESSAVG: 1491800 17.663 9.23274 -0.229517 9.2328 27.8511 18.546 -0.229567 18.546 -36.2299 GPRESSAVG: 1491800 17.5709 10.2792 1.54911 11.8045 27.3987 18.7512 0.926785 20.7386 -35.9842 TIMING: 1491800 CPU: 4451.64, 0.00304474/step Wall: 4451.64, 0.00304474/step, 2.9671 hours remaining, 207.484375 MB of memory in use. ENERGY: 1491800 779.0195 2139.2367 1924.7745 109.2851 -206300.3856 17843.1373 0.0000 0.0000 34143.8610 -149361.0716 298.1868 -183504.9327 -149261.4065 298.8524 -18.2331 14.0075 557725.0730 3.0947 2.9951 PRESSURE: 1492000 -384.015 -19.121 -17.5795 -19.1216 -30.195 125.394 -17.5805 125.395 -62.9915 GPRESSURE: 1492000 -304.868 -6.74202 -23.7989 13.6033 13.7258 120.348 7.28895 103.384 -86.2077 PRESSAVG: 1492000 30.2931 24.1186 64.8296 24.1187 -0.64615 27.5361 64.8296 27.536 11.3724 GPRESSAVG: 1492000 29.9361 23.1031 64.3139 23.0855 -0.425417 29.2311 63.3733 24.6952 11.8157 TIMING: 1492000 CPU: 4452.25, 0.00303903/step Wall: 4452.25, 0.00303903/step, 2.96136 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1492000 774.1877 2029.1673 1938.4505 102.8381 -206193.0241 17632.7139 0.0000 0.0000 34259.6769 -149455.9898 299.1983 -183715.6667 -149357.7558 298.8948 -159.0670 -125.7833 557623.6567 13.6731 13.7755 PRESSURE: 1492200 -45.8884 -21.5279 20.2594 -21.5275 -15.5448 132.168 20.26 132.168 -23.2571 GPRESSURE: 1492200 -2.12696 -43.8809 -149.883 -25.398 10.4138 140.351 93.1552 221.541 2.62295 PRESSAVG: 1492200 21.3658 41.3594 52.124 41.3594 -18.9844 12.0742 52.124 12.0742 -65.0564 GPRESSAVG: 1492200 22.1915 42.9796 50.9801 42.2196 -18.578 10.5979 51.9382 11.9536 -66.0862 TIMING: 1492200 CPU: 4452.85, 0.00301878/step Wall: 4452.85, 0.00301878/step, 2.94147 hours remaining, 207.484375 MB of memory in use. ENERGY: 1492200 726.7517 2123.1926 1913.2284 109.2954 -206516.5859 17989.0394 0.0000 0.0000 34227.4746 -149427.6037 298.9170 -183655.0783 -149325.6358 298.2523 -28.2301 3.6366 559033.1095 -20.8917 -20.8243 LDB: ============= START OF LOAD BALANCING ============== 4456.41 LDB: ============== END OF LOAD BALANCING =============== 4456.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4456.41 LDB: ============= START OF LOAD BALANCING ============== 4456.71 LDB: Largest compute 4773 load 0.024824 is 21.0% of average load 0.118259 LDB: Average compute 0.001730 is 1.5% of average load 0.118259 LDB: TIME 4456.71 LOAD: AVG 0.118259 MAX 0.214367 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 4456.71 LOAD: AVG 0.118259 MAX 0.214367 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 4456.71 LOAD: AVG 0.118259 MAX 0.214367 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 4456.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4456.72 PRESSURE: 1492400 52.6956 102.001 128.504 102.001 70.2598 91.4213 128.504 91.4219 188.423 GPRESSURE: 1492400 66.0013 92.7294 107.732 110.19 117.287 44.8113 124.811 101.423 223.422 PRESSAVG: 1492400 13.5003 40.8196 41.5419 40.8195 -58.85 9.40015 41.542 9.40029 84.7958 GPRESSAVG: 1492400 13.1385 38.535 44.3778 41.5215 -58.7973 9.5785 42.2372 9.72622 84.6772 TIMING: 1492400 CPU: 4453.47, 0.00307199/step Wall: 4453.47, 0.00307199/step, 2.99314 hours remaining, 206.203125 MB of memory in use. ENERGY: 1492400 728.9246 2142.4311 1909.7819 116.2087 -206439.3884 18028.4588 0.0000 0.0000 34178.6552 -149334.9283 298.4907 -183513.5834 -149242.2865 298.6195 103.7928 135.5702 557287.0559 13.1487 13.0061 PRESSURE: 1492600 264.693 38.1836 -48.2383 38.1848 -223.535 161.708 -48.2383 161.708 -147.762 GPRESSURE: 1492600 302.228 -45.8923 -106.642 9.6484 -212.608 151.087 -57.913 146.933 -88.6136 PRESSAVG: 1492600 71.3081 -5.09483 -2.12252 -5.09475 -50.2823 5.98623 -2.12239 5.98616 -8.62146 GPRESSAVG: 1492600 71.786 -4.95846 -3.86529 -6.65773 -50.7421 6.28689 -3.23965 5.68026 -8.82313 TIMING: 1492600 CPU: 4454.07, 0.003004/step Wall: 4454.07, 0.003004/step, 2.92673 hours remaining, 206.203125 MB of memory in use. ENERGY: 1492600 749.1850 2052.5301 1918.6213 112.5989 -206440.9384 17768.0943 0.0000 0.0000 34465.7095 -149374.1992 300.9976 -183839.9087 -149280.6561 299.2014 -35.5347 0.3354 557084.3392 4.1348 4.0736 PRESSURE: 1492800 14.5937 10.8315 -54.7705 10.8327 116.127 103.597 -54.7706 103.596 202.53 GPRESSURE: 1492800 1.94075 62.4832 25.8997 -24.3757 166.603 147.92 -65.5842 91.7982 260.57 PRESSAVG: 1492800 40.2158 -12.1803 -40.3626 -12.1802 -14.3236 -34.583 -40.3627 -34.583 7.90381 GPRESSAVG: 1492800 38.6867 -11.5666 -39.7768 -12.1115 -14.4113 -33.6507 -38.7477 -34.0855 9.23589 TIMING: 1492800 CPU: 4454.67, 0.00300687/step Wall: 4454.67, 0.00300687/step, 2.92936 hours remaining, 206.203125 MB of memory in use. ENERGY: 1492800 712.0241 2113.3088 1939.0441 110.8428 -206730.1632 18003.5942 0.0000 0.0000 34510.4343 -149340.9147 301.3882 -183851.3491 -149242.4966 298.8367 111.0838 143.0380 557119.2903 11.2653 11.1704 PRESSURE: 1493000 372.459 -31.194 -93.1234 -31.1946 58.7641 -109.168 -93.1245 -109.168 86.379 GPRESSURE: 1493000 371.757 -106.415 -123.014 13.2824 104.357 -133.945 -128.58 -34.2505 139.361 PRESSAVG: 1493000 1.25071 -39.7481 -21.3675 -39.7481 -64.4172 15.2231 -21.3674 15.2231 71.1747 GPRESSAVG: 1493000 3.22977 -40.1869 -25.6481 -39.5448 -65.4445 17.5112 -20.3489 14.0992 70.0321 TIMING: 1493000 CPU: 4455.28, 0.00306081/step Wall: 4455.28, 0.00306081/step, 2.98174 hours remaining, 206.203125 MB of memory in use. ENERGY: 1493000 728.3504 2083.3174 1942.4954 121.3804 -206756.9652 18316.3447 0.0000 0.0000 34317.7925 -149247.2845 299.7058 -183565.0770 -149161.1963 299.1461 172.5340 205.1584 557241.7267 2.6694 2.6058 PRESSURE: 1493200 134.535 -14.2114 55.4737 -14.2101 96.3737 5.38216 55.4724 5.38348 2.90053 GPRESSURE: 1493200 178.099 75.8234 157.897 -29.1642 162.138 -93.6661 -90.2996 32.7169 -2.26216 PRESSAVG: 1493200 65.9339 -11.0843 -38.1714 -11.0843 -63.1961 -22.7601 -38.1715 -22.7601 -33.0314 GPRESSAVG: 1493200 64.3497 -10.6986 -35.1876 -11.4799 -62.5256 -25.9734 -40.7414 -21.7131 -32.5059 TIMING: 1493200 CPU: 4455.89, 0.00303586/step Wall: 4455.89, 0.00303586/step, 2.95726 hours remaining, 206.203125 MB of memory in use. ENERGY: 1493200 753.9479 2084.0068 1900.5266 109.6781 -206069.4713 17868.4232 0.0000 0.0000 34013.5223 -149339.3665 297.0485 -183352.8888 -149251.5992 299.1397 77.9365 112.6584 558084.2173 -10.0979 -10.2273 PRESSURE: 1493400 -236.934 107.747 -75.4237 107.746 -130.031 112.822 -75.4234 112.822 2.64788 GPRESSURE: 1493400 -188.34 131.849 -156.467 69.5763 -155.883 93.2706 -28.6687 91.8747 83.8986 PRESSAVG: 1493400 16.4817 -21.7328 55.849 -21.7328 -6.09654 14.1457 55.849 14.1457 29.4101 GPRESSAVG: 1493400 17.5711 -20.7788 55.4921 -21.383 -5.91008 15.7913 56.6384 15.0243 28.6117 TIMING: 1493400 CPU: 4456.5, 0.00304312/step Wall: 4456.5, 0.00304312/step, 2.96417 hours remaining, 206.203125 MB of memory in use. ENERGY: 1493400 742.5678 2015.2505 1909.0145 118.5553 -205811.9375 17564.1211 0.0000 0.0000 34205.9231 -149256.5052 298.7288 -183462.4283 -149159.5423 298.9518 -121.4391 -86.7747 557137.8134 13.2651 13.4243 PRESSURE: 1493600 -130.727 -123.716 -38.9052 -123.715 -6.20204 -111.84 -38.9047 -111.839 73.8391 GPRESSURE: 1493600 -102.003 -207.438 -80.6665 -97.6075 35.4754 -23.496 -72.603 -96.8075 85.459 PRESSAVG: 1493600 -10.92 -2.73955 -6.25197 -2.73952 -78.9072 14.5854 -6.25191 14.5853 66.8538 GPRESSAVG: 1493600 -12.008 -2.8647 -6.93745 -2.66655 -79.9011 14.3091 -4.96959 12.5712 68.2325 TIMING: 1493600 CPU: 4457.1, 0.00301474/step Wall: 4457.1, 0.00301474/step, 2.93636 hours remaining, 206.203125 MB of memory in use. ENERGY: 1493600 773.7561 2042.3754 1932.9224 111.3794 -206027.3609 17599.1773 0.0000 0.0000 34308.1949 -149259.5555 299.6220 -183567.7504 -149168.5112 299.0677 -21.0301 6.3105 555731.2007 -7.6578 -7.8922 PRESSURE: 1493800 -59.874 244.19 61.5487 244.19 40.0066 42.6351 61.5467 42.6353 -40.6589 GPRESSURE: 1493800 -31.3288 173.977 -45.7432 280.391 61.5537 1.64934 27.4324 45.083 12.8463 PRESSAVG: 1493800 -52.4436 -5.07378 -14.2635 -5.07374 -3.88177 41.6615 -14.2636 41.6614 47.7209 GPRESSAVG: 1493800 -52.2695 -3.66001 -12.5464 -7.11007 -3.92706 41.5237 -15.3308 41.1793 47.9335 TIMING: 1493800 CPU: 4457.7, 0.00299766/step Wall: 4457.7, 0.00299766/step, 2.91956 hours remaining, 206.203125 MB of memory in use. ENERGY: 1493800 755.6233 2033.1190 1900.4352 121.6796 -206304.3538 17786.8419 0.0000 0.0000 34475.4530 -149231.2019 301.0827 -183706.6549 -149137.1696 299.6106 -20.1755 14.3571 556428.2479 -2.8682 -2.7544 PRESSURE: 1494000 65.1187 75.1799 -6.0023 75.1793 -240.186 1.63041 -6.00198 1.62998 -85.7121 GPRESSURE: 1494000 73.729 43.8934 24.2185 80.0956 -170.187 38.1179 -95.3598 19.4975 -71.2661 PRESSAVG: 1494000 -36.0095 20.0533 -35.7694 20.0533 -18.7281 17.1364 -35.7694 17.1363 28.6716 GPRESSAVG: 1494000 -37.4658 20.0429 -34.8134 19.7497 -16.8339 16.8241 -34.1321 18.4747 28.5657 TIMING: 1494000 CPU: 4458.3, 0.00301328/step Wall: 4458.3, 0.00301328/step, 2.9346 hours remaining, 206.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1494000 741.8264 2104.9618 1927.2449 117.0042 -206050.6492 17622.8419 0.0000 0.0000 34199.1324 -149337.6375 298.6695 -183536.7699 -149238.4420 299.2739 -86.9265 -55.9081 556052.5701 -8.6886 -8.5780 PRESSURE: 1494200 -98.5564 26.0645 -12.0286 26.0647 33.085 94.5028 -12.0292 94.5026 11.3081 GPRESSURE: 1494200 -46.4908 80.1913 39.5672 -25.1467 23.9352 53.8132 5.56324 128.283 58.2593 PRESSAVG: 1494200 37.1609 -25.786 -7.61444 -25.786 -17.4223 18.0583 -7.61441 18.0583 19.9756 GPRESSAVG: 1494200 38.5198 -26.817 -9.89869 -24.5962 -19.3596 17.3003 -6.30137 19.6621 21.2696 TIMING: 1494200 CPU: 4458.9, 0.00299183/step Wall: 4458.9, 0.00299183/step, 2.91354 hours remaining, 206.203125 MB of memory in use. ENERGY: 1494200 733.8837 2050.3014 1931.7571 114.8609 -206371.1012 17843.3140 0.0000 0.0000 34410.7773 -149286.2069 300.5179 -183696.9842 -149197.8619 298.9900 -18.0544 11.9012 556736.6685 13.2381 13.4766 PRESSURE: 1494400 99.9477 73.6506 -49.7082 73.6494 48.4485 -110.301 -49.7089 -110.299 -24.0952 GPRESSURE: 1494400 79.8258 71.6908 -29.0376 116.781 114.282 -88.1944 -51.4578 -181.596 22.607 PRESSAVG: 1494400 11.3409 32.8266 -40.3513 32.8266 -39.2888 -45.713 -40.3514 -45.713 62.9528 GPRESSAVG: 1494400 10.4289 30.5286 -40.4694 35.6267 -38.4329 -44.0767 -40.6285 -48.4307 63.0422 TIMING: 1494400 CPU: 4459.51, 0.00303169/step Wall: 4459.51, 0.00303169/step, 2.9522 hours remaining, 206.203125 MB of memory in use. ENERGY: 1494400 727.4169 2098.0099 1932.6030 103.6097 -206326.1322 17792.2470 0.0000 0.0000 34458.8627 -149213.3830 300.9378 -183672.2457 -149116.6061 299.9938 41.4337 72.2382 556497.1809 11.6683 11.6794 PRESSURE: 1494600 -145.678 23.2469 146.877 23.2454 -232.373 -59.4228 146.878 -59.4238 -303.304 GPRESSURE: 1494600 -124.881 23.195 129.863 -27.6797 -213.822 -132.117 157.033 -13.4354 -250.146 PRESSAVG: 1494600 -22.2573 8.14051 -19.68 8.14051 32.2593 -69.2773 -19.6801 -69.2774 -61.0076 GPRESSAVG: 1494600 -22.2299 8.62001 -18.419 8.55286 33.7031 -70.3363 -20.3185 -67.1142 -62.0259 TIMING: 1494600 CPU: 4460.11, 0.00303147/step Wall: 4460.11, 0.00303147/step, 2.95181 hours remaining, 206.203125 MB of memory in use. ENERGY: 1494600 736.4610 2058.3742 1908.2847 112.5438 -206036.4464 17608.5053 0.0000 0.0000 34276.5150 -149335.7625 299.3453 -183612.2775 -149238.3058 299.3508 -227.1184 -196.2829 558169.5964 -17.0019 -16.8509 PRESSURE: 1494800 -104.566 -121.666 142.817 -121.666 136.789 -60.9755 142.817 -60.9747 -35.2004 GPRESSURE: 1494800 -104.641 -51.4467 140.199 -129.06 133.255 -84.9347 196.028 -83.0092 58.201 PRESSAVG: 1494800 -62.3622 -27.7524 4.22006 -27.7525 9.1783 11.8949 4.22007 11.8949 45.8709 GPRESSAVG: 1494800 -61.6089 -26.6137 1.62591 -30.1113 8.42054 11.4695 4.08019 10.6569 45.5879 TIMING: 1494800 CPU: 4460.72, 0.00303276/step Wall: 4460.72, 0.00303276/step, 2.9529 hours remaining, 206.203125 MB of memory in use. ENERGY: 1494800 722.2410 2116.6163 1918.1888 107.7085 -206495.8058 17951.8332 0.0000 0.0000 34275.2999 -149403.9181 299.3347 -183679.2180 -149311.6043 299.2040 -0.9925 28.9384 556248.2313 -2.4377 -2.5335 PRESSURE: 1495000 -318.743 -57.3623 3.44002 -57.3627 -61.6951 14.1559 3.43905 14.1541 -199.245 GPRESSURE: 1495000 -226.342 -32.1547 7.29788 -109.579 -81.5469 16.1605 42.0498 50.2661 -168.175 PRESSAVG: 1495000 -10.8148 -38.0871 -5.35528 -38.0872 0.39148 1.35722 -5.35531 1.35713 -1.72387 GPRESSAVG: 1495000 -10.892 -39.0544 -4.05412 -36.5068 0.538425 1.63523 -5.56267 1.80224 -1.93283 TIMING: 1495000 CPU: 4461.33, 0.00304048/step Wall: 4461.33, 0.00304048/step, 2.96025 hours remaining, 206.203125 MB of memory in use. ENERGY: 1495000 778.6731 2024.5983 1932.1703 127.0231 -206285.9778 17662.6380 0.0000 0.0000 34444.5337 -149316.3414 300.8127 -183760.8750 -149221.7609 299.5028 -193.2277 -158.6879 557729.0517 -4.0491 -4.0955 PRESSURE: 1495200 161.872 -13.754 -82.4504 -13.7542 61.9921 58.6153 -82.4478 58.6166 52.2938 GPRESSURE: 1495200 219.491 10.9075 -47.6815 39.9668 37.1403 -18.1304 -33.5424 60.4919 113.691 PRESSAVG: 1495200 4.82363 -16.8916 -15.8621 -16.8915 -11.5112 6.87712 -15.8622 6.87716 -31.7349 GPRESSAVG: 1495200 4.87099 -16.5397 -16.0574 -17.1908 -10.7618 6.10462 -14.9555 7.14288 -32.249 TIMING: 1495200 CPU: 4461.94, 0.00303512/step Wall: 4461.94, 0.00303512/step, 2.95485 hours remaining, 206.203125 MB of memory in use. ENERGY: 1495200 716.3131 2098.8356 1922.2478 123.3047 -205963.8053 17751.6650 0.0000 0.0000 34182.7556 -149168.6836 298.5265 -183351.4392 -149079.2283 299.5310 92.0525 123.4406 557074.5240 -12.8075 -12.7133 PRESSURE: 1495400 -127.621 114.997 170.903 114.998 386.603 53.7736 170.903 53.7731 190.276 GPRESSURE: 1495400 -60.5369 102.394 201.913 93.1233 380.612 15.1925 137.083 29.9867 215.837 PRESSAVG: 1495400 -35.3301 38.5836 55.8874 38.5836 61.66 55.0209 55.8875 55.0209 11.4295 GPRESSAVG: 1495400 -34.7473 39.1617 56.9109 37.7612 61.7663 53.418 53.397 53.6927 10.5021 TIMING: 1495400 CPU: 4462.53, 0.00297662/step Wall: 4462.53, 0.00297662/step, 2.89774 hours remaining, 206.203125 MB of memory in use. ENERGY: 1495400 759.2188 2070.6833 1956.8948 112.5020 -206282.1300 17895.6509 0.0000 0.0000 34374.7870 -149112.3932 300.2036 -183487.1802 -149018.1126 300.0991 149.7527 178.6372 554363.4584 12.5864 12.5070 PRESSURE: 1495600 -83.1956 158.151 11.0924 158.151 -93.83 -92.2955 11.0913 -92.295 130.349 GPRESSURE: 1495600 7.04754 173.169 -11.1236 105.008 -54.3574 -100.511 10.5947 -88.0135 93.1511 PRESSAVG: 1495600 -62.7753 50.1294 53.8686 50.1295 55.6317 72.0543 53.8686 72.0543 39.3292 GPRESSAVG: 1495600 -62.0881 50.2028 52.0078 50.6862 53.8506 72.2598 54.1969 73.0964 40.4029 TIMING: 1495600 CPU: 4463.13, 0.00298336/step Wall: 4463.13, 0.00298336/step, 2.90413 hours remaining, 206.203125 MB of memory in use. ENERGY: 1495600 771.8046 2052.6141 1932.6046 117.1667 -206246.9070 17760.3882 0.0000 0.0000 34299.8011 -149312.5278 299.5487 -183612.3288 -149214.7484 299.9017 -15.5588 15.2804 555886.1091 10.7285 10.7218 PRESSURE: 1495800 14.8265 -58.7166 138.756 -58.7164 -203.709 -35.4285 138.757 -35.4279 -57.92 GPRESSURE: 1495800 -20.1732 -118.198 148.586 -31.5384 -178.224 -38.6842 94.2698 -20.2661 46.2854 PRESSAVG: 1495800 -52.9666 18.6793 7.89309 18.6793 37.9373 37.5133 7.89316 37.5133 -6.97881 GPRESSAVG: 1495800 -54.5492 16.9567 9.58876 20.0001 39.1773 37.5502 8.76505 36.2408 -7.17629 TIMING: 1495800 CPU: 4463.73, 0.00300414/step Wall: 4463.73, 0.00300414/step, 2.92419 hours remaining, 206.203125 MB of memory in use. ENERGY: 1495800 766.0257 2111.1059 1915.8594 110.9760 -206049.7735 17557.3000 0.0000 0.0000 34224.3692 -149364.1373 298.8899 -183588.5065 -149270.2927 299.1852 -82.2676 -50.7039 556321.2612 -7.3360 -7.5161 PRESSURE: 1496000 -227.978 40.5775 -142.996 40.5786 -99.5821 -5.46393 -142.995 -5.46539 73.5757 GPRESSURE: 1496000 -152.398 6.43128 -76.9197 76.8737 -75.7402 46.695 -73.5054 -98.6916 74.2416 PRESSAVG: 1496000 19.6374 -28.5654 42.8534 -28.5655 -3.75367 60.141 42.8533 60.1408 -62.7603 GPRESSAVG: 1496000 19.7577 -29.0644 42.1664 -28.0416 -4.11841 61.9374 42.1016 61.7172 -63.4845 TIMING: 1496000 CPU: 4464.33, 0.00301228/step Wall: 4464.33, 0.00301228/step, 2.93195 hours remaining, 206.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1496000 760.9305 2083.2852 1911.6631 118.0443 -206089.3339 17808.7157 0.0000 0.0000 34179.2041 -149227.4910 298.4955 -183406.6951 -149125.4732 299.3046 -84.6615 -51.2988 558547.7396 -15.6255 -15.9484 PRESSURE: 1496200 -136.013 -144.377 17.2268 -144.376 6.86653 -101.753 17.2247 -101.753 -240.661 GPRESSURE: 1496200 -119.6 -11.8292 70.7697 -120.137 51.1106 -113.725 -45.7531 -33.0553 -210.412 PRESSAVG: 1496200 14.4288 10.9857 19.8197 10.9856 55.6705 45.8192 19.8196 45.8192 -78.5476 GPRESSAVG: 1496200 14.9512 14.4192 21.2216 9.02505 54.6233 45.6842 20.0185 45.0345 -77.7081 TIMING: 1496200 CPU: 4464.93, 0.00299407/step Wall: 4464.93, 0.00299407/step, 2.91406 hours remaining, 206.203125 MB of memory in use. ENERGY: 1496200 797.5236 2097.3054 1900.8032 107.3299 -206045.9598 17646.7567 0.0000 0.0000 34252.5379 -149243.7031 299.1359 -183496.2410 -149148.9356 299.3204 -123.2691 -92.9670 557990.5777 -2.8161 -2.7112 LDB: ============= START OF LOAD BALANCING ============== 4468.48 LDB: ============== END OF LOAD BALANCING =============== 4468.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4468.48 LDB: ============= START OF LOAD BALANCING ============== 4468.78 LDB: Largest compute 4773 load 0.025744 is 21.8% of average load 0.118232 LDB: Average compute 0.001735 is 1.5% of average load 0.118232 LDB: TIME 4468.78 LOAD: AVG 0.118232 MAX 0.213994 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 4468.78 LOAD: AVG 0.118232 MAX 0.213994 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.461 MB LDB: TIME 4468.78 LOAD: AVG 0.118232 MAX 0.213994 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.461 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4468.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4468.79 PRESSURE: 1496400 -206.332 -89.0336 51.0155 -89.0343 -26.3847 -8.79123 51.0161 -8.78965 -72.3428 GPRESSURE: 1496400 -159.248 -163.83 2.45607 -36.2895 -35.2903 11.5646 86.062 7.69 -12.2075 PRESSAVG: 1496400 18.2252 -41.8295 -12.6285 -41.8296 -42.6362 10.6468 -12.6286 10.6468 -7.32392 GPRESSAVG: 1496400 17.4745 -42.3877 -13.6328 -41.6749 -40.6297 7.84222 -12.1124 10.3305 -9.19114 TIMING: 1496400 CPU: 4465.54, 0.00305048/step Wall: 4465.54, 0.00305048/step, 2.9688 hours remaining, 206.714844 MB of memory in use. ENERGY: 1496400 732.4574 2044.5022 1924.1182 125.6776 -206255.5642 17849.1067 0.0000 0.0000 34303.7407 -149275.9615 299.5831 -183579.7021 -149179.7900 300.2071 -101.6865 -68.9152 558102.2981 -10.5783 -10.7821 PRESSURE: 1496600 214.732 23.2264 228.533 23.2264 167.063 -137.533 228.532 -137.533 98.9564 GPRESSURE: 1496600 296.157 2.28547 269.609 94.2421 207.819 -178.184 190.284 -107.778 80.9375 PRESSAVG: 1496600 47.6506 29.5867 61.9253 29.5867 -12.6063 27.0876 61.9254 27.0875 -54.0894 GPRESSAVG: 1496600 47.9693 29.0704 63.7434 29.1755 -13.6401 28.1506 62.1742 28.6337 -53.1636 TIMING: 1496600 CPU: 4466.14, 0.00301833/step Wall: 4466.14, 0.00301833/step, 2.93734 hours remaining, 206.714844 MB of memory in use. ENERGY: 1496600 734.7126 2098.6784 1922.7678 103.6666 -206508.5537 18012.4196 0.0000 0.0000 34363.2409 -149273.0678 300.1027 -183636.3087 -149174.0790 299.4231 160.2502 194.9714 556559.3464 -6.3484 -6.2781 PRESSURE: 1496800 63.3702 57.6897 -30.0376 57.6908 -231.855 -62.1659 -30.0381 -62.1649 -153.361 GPRESSURE: 1496800 125.527 87.7452 34.7379 -20.8267 -128.953 -41.1065 -91.9072 -95.1374 -216.887 PRESSAVG: 1496800 49.6938 43.9509 55.2761 43.9508 -19.9464 -0.0189479 55.276 -0.0190248 -53.4128 GPRESSAVG: 1496800 50.551 44.9106 53.6423 43.6028 -20.9943 -0.142169 54.8171 -2.01924 -53.0085 TIMING: 1496800 CPU: 4466.74, 0.00300155/step Wall: 4466.74, 0.00300155/step, 2.92084 hours remaining, 206.714844 MB of memory in use. ENERGY: 1496800 733.2826 2170.0767 1898.5360 106.8292 -206367.4216 17788.0165 0.0000 0.0000 34383.2835 -149287.3971 300.2778 -183670.6806 -149190.3054 299.8032 -107.2817 -73.4376 558857.9816 -7.8885 -7.8173 PRESSURE: 1497000 18.2426 98.0893 143.934 98.089 -70.5677 25.8109 143.933 25.8101 190.42 GPRESSURE: 1497000 84.9295 96.4329 127.934 57.9071 -59.4344 108.482 112.209 7.80562 215.207 PRESSAVG: 1497000 13.6921 8.37213 36.638 8.3722 -51.4992 4.42843 36.638 4.42841 36.2161 GPRESSAVG: 1497000 13.7456 6.62142 38.907 10.3341 -50.2413 6.8332 35.172 2.99983 35.1854 TIMING: 1497000 CPU: 4467.34, 0.00299395/step Wall: 4467.34, 0.00299395/step, 2.91328 hours remaining, 206.714844 MB of memory in use. ENERGY: 1497000 747.0951 2075.3385 1948.5132 116.5391 -206616.2757 17981.3912 0.0000 0.0000 34219.2390 -149528.1595 298.8451 -183747.3985 -149430.6639 299.1160 46.0317 80.2339 556932.6744 -0.5303 -0.4368 PRESSURE: 1497200 -42.191 27.9496 -14.0274 27.9483 -126.073 13.9738 -14.0274 13.9729 167.041 GPRESSURE: 1497200 -13.1267 50.7799 4.92862 0.88231 -91.0614 23.0127 15.0545 0.399578 200.451 PRESSAVG: 1497200 17.0662 -4.15139 28.396 -4.15134 -20.4837 33.3677 28.3962 33.3677 25.4929 GPRESSAVG: 1497200 16.7193 -2.8198 25.5174 -5.05924 -20.6148 31.1896 32.3596 35.4317 25.9631 TIMING: 1497200 CPU: 4467.95, 0.00301813/step Wall: 4467.95, 0.00301813/step, 2.93664 hours remaining, 206.714844 MB of memory in use. ENERGY: 1497200 765.2252 2094.5327 1930.1637 101.6839 -206770.2156 18039.6531 0.0000 0.0000 34430.6605 -149408.2965 300.6915 -183838.9570 -149308.9219 299.6794 -0.4077 32.0877 558893.7975 7.3585 7.3559 PRESSURE: 1497400 -196.931 -33.8087 111.802 -33.8089 -94.4667 -134.8 111.803 -134.799 57.5062 GPRESSURE: 1497400 -157.308 -60.887 82.5886 -88.413 -76.604 -115.687 68.0985 -156.833 95.7445 PRESSAVG: 1497400 -51.7909 -25.0453 -51.4665 -25.0453 -25.5909 -5.04602 -51.4664 -5.0459 92.6346 GPRESSAVG: 1497400 -51.5899 -27.3618 -50.3397 -24.2696 -26.1147 -3.23905 -55.0067 -4.29792 92.9899 TIMING: 1497400 CPU: 4468.56, 0.00304125/step Wall: 4468.56, 0.00304125/step, 2.95897 hours remaining, 206.714844 MB of memory in use. ENERGY: 1497400 741.0969 2137.6218 1928.3356 117.9457 -206203.8038 17856.4031 0.0000 0.0000 34057.2737 -149365.1270 297.4306 -183422.4006 -149265.3216 299.5264 -77.9639 -46.0557 558734.2136 5.0843 5.0951 PRESSURE: 1497600 -159.948 -40.8951 -72.4707 -40.8932 -261.323 -37.3568 -72.4711 -37.358 180.509 GPRESSURE: 1497600 -134.301 -21.2014 -142.806 -66.1982 -215.661 3.30984 -68.7341 -26.4148 217.522 PRESSAVG: 1497600 -71.4527 -2.56545 40.1349 -2.56554 -28.4294 -25.7998 40.135 -25.7999 67.8998 GPRESSAVG: 1497600 -71.5169 0.456084 41.1452 -5.06273 -27.2234 -26.4931 41.4666 -25.7241 66.6595 TIMING: 1497600 CPU: 4469.16, 0.00299989/step Wall: 4469.16, 0.00299989/step, 2.91856 hours remaining, 206.714844 MB of memory in use. ENERGY: 1497600 757.1910 2080.8340 1921.8406 108.6516 -206136.1795 17689.4252 0.0000 0.0000 34348.6821 -149229.5550 299.9756 -183578.2371 -149128.7463 298.7723 -80.2540 -44.1468 558609.6646 -10.6607 -10.6936 PRESSURE: 1497800 -9.98396 30.3152 172.244 30.3155 113.244 64.9746 172.244 64.974 192.195 GPRESSURE: 1497800 21.7927 59.0473 110.258 23.4565 169.914 -0.179361 205.105 83.3216 200.504 PRESSAVG: 1497800 -45.477 2.32799 23.0605 2.328 -25.2297 65.5721 23.0604 65.5721 49.1538 GPRESSAVG: 1497800 -45.8543 -0.625762 21.5614 4.24311 -26.4072 62.5836 21.7796 67.6529 50.8188 TIMING: 1497800 CPU: 4469.75, 0.00298025/step Wall: 4469.75, 0.00298025/step, 2.89928 hours remaining, 206.714844 MB of memory in use. ENERGY: 1497800 707.3203 2149.3544 1930.7703 108.9691 -206344.3441 17884.7280 0.0000 0.0000 34417.4163 -149145.7857 300.5759 -183563.2021 -149049.2957 299.7587 98.4851 130.7369 557822.7568 -7.1843 -7.1476 PRESSURE: 1498000 -93.5604 -0.840794 -35.8723 -0.841018 -151.846 -66.3974 -35.8732 -66.3972 -9.21708 GPRESSURE: 1498000 -43.7421 22.5461 84.1842 76.6946 -136.833 -23.7789 -166.545 -101.349 34.5349 PRESSAVG: 1498000 -25.6989 25.0553 -15.4187 25.0552 13.4681 29.0829 -15.4187 29.083 40.0536 GPRESSAVG: 1498000 -26.3477 24.293 -15.3511 24.4874 13.9802 33.3038 -14.2203 26.3401 40.5346 TIMING: 1498000 CPU: 4470.35, 0.00299971/step Wall: 4470.35, 0.00299971/step, 2.91805 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1498000 768.4738 2131.4758 1922.3817 121.2345 -206136.0708 17926.0073 0.0000 0.0000 34089.6026 -149176.8952 297.7130 -183266.4978 -149083.9564 299.7694 -84.8746 -48.6802 558266.4284 9.2743 9.3890 PRESSURE: 1498200 -380.626 37.2855 25.4895 37.2862 -368.647 98.6758 25.4887 98.6757 -5.16678 GPRESSURE: 1498200 -372.888 71.8923 -89.7579 5.68107 -281.488 -18.0896 117.35 171.41 -5.983 PRESSAVG: 1498200 12.1227 33.6798 38.0539 33.6798 -7.65307 9.5943 38.0539 9.59427 5.20103 GPRESSAVG: 1498200 12.971 36.5665 36.0977 34.1831 -7.30769 7.8184 39.3149 12.6539 3.99703 TIMING: 1498200 CPU: 4470.95, 0.00299729/step Wall: 4470.95, 0.00299729/step, 2.91553 hours remaining, 206.714844 MB of memory in use. ENERGY: 1498200 801.8893 2121.6762 1927.9797 122.6243 -206149.6955 17630.8303 0.0000 0.0000 34372.5364 -149172.1593 300.1839 -183544.6957 -149068.9222 299.1052 -251.4800 -220.1197 559586.8243 3.2236 3.2201 PRESSURE: 1498400 -56.1017 -176.778 44.0445 -176.777 181.662 59.604 44.0432 59.6034 -87.2967 GPRESSURE: 1498400 4.23291 -208.456 -47.5561 -110.575 193.903 56.9637 102.523 50.4001 -69.5217 PRESSAVG: 1498400 -11.9177 -54.1269 3.86536 -54.1269 -41.3783 -19.1302 3.86535 -19.1302 67.5109 GPRESSAVG: 1498400 -12.1722 -55.5731 4.02802 -54.2461 -42.2903 -19.4867 4.82913 -21.031 67.7655 TIMING: 1498400 CPU: 4471.55, 0.00301977/step Wall: 4471.55, 0.00301977/step, 2.93723 hours remaining, 206.714844 MB of memory in use. ENERGY: 1498400 781.6094 2086.7675 1932.3722 113.9417 -206562.6822 18009.2489 0.0000 0.0000 34288.5706 -149350.1719 299.4506 -183638.7425 -149255.8077 299.7153 12.7546 42.8713 556618.8256 4.7383 4.4344 PRESSURE: 1498600 189.69 20.1996 -51.0708 20.1996 22.9871 -16.0156 -51.0702 -16.0147 -147.304 GPRESSURE: 1498600 230.475 119.551 -183.538 -59.6237 74.2709 -58.444 -57.6095 65.4234 -140.257 PRESSAVG: 1498600 28.1618 4.5766 3.64451 4.57656 39.9524 6.84609 3.64451 6.8461 -21.6252 GPRESSAVG: 1498600 26.8114 6.93348 2.86521 0.545401 40.6843 5.69605 2.81097 9.06975 -21.8061 TIMING: 1498600 CPU: 4472.15, 0.00299444/step Wall: 4472.15, 0.00299444/step, 2.91243 hours remaining, 206.714844 MB of memory in use. ENERGY: 1498600 753.9240 2063.9880 1924.8839 113.6242 -206429.2133 18041.5309 0.0000 0.0000 34395.4859 -149135.7764 300.3843 -183531.2623 -149037.4549 300.2101 21.7910 54.8299 557227.5180 15.4963 15.2299 PRESSURE: 1498800 -99.4767 -17.6498 -118.456 -17.6495 -269.578 -21.0674 -118.456 -21.0678 -420.85 GPRESSURE: 1498800 -95.4359 -155.202 -145.694 -8.26345 -224.345 -31.321 -56.607 -49.2393 -365.461 PRESSAVG: 1498800 57.965 -25.2527 -5.76108 -25.2527 50.5431 18.8953 -5.76107 18.8954 -78.4277 GPRESSAVG: 1498800 57.137 -27.4983 -3.10026 -21.3009 51.0497 19.7012 -8.08967 16.0581 -78.3826 TIMING: 1498800 CPU: 4472.76, 0.00303574/step Wall: 4472.76, 0.00303574/step, 2.95242 hours remaining, 206.714844 MB of memory in use. ENERGY: 1498800 796.9219 2046.9569 1922.7193 97.2944 -205675.1372 17429.2108 0.0000 0.0000 34058.8052 -149323.2288 297.4440 -183382.0339 -149225.6638 299.2752 -263.3016 -228.4140 558683.1129 10.0268 9.9347 PRESSURE: 1499000 -18.9004 90.0397 13.697 90.0407 80.9861 -31.8745 13.6985 -31.8757 -39.8966 GPRESSURE: 1499000 -78.6435 134.054 29.0114 56.0953 157.502 -27.7012 26.154 -27.3504 26.5345 PRESSAVG: 1499000 109.204 -7.53472 -16.6506 -7.53472 -91.0652 23.3387 -16.6506 23.3386 -6.17848 GPRESSAVG: 1499000 108.807 -6.40704 -15.9657 -8.95606 -90.5323 24.5852 -15.0274 24.0084 -6.74745 TIMING: 1499000 CPU: 4473.37, 0.00302672/step Wall: 4473.37, 0.00302672/step, 2.94349 hours remaining, 206.714844 MB of memory in use. ENERGY: 1499000 718.2090 2076.4989 1920.7071 103.6992 -206142.0363 17806.2083 0.0000 0.0000 34251.2963 -149265.4175 299.1251 -183516.7139 -149164.3955 299.5861 7.3964 35.1311 557705.5479 3.9868 3.8426 PRESSURE: 1499200 274.172 64.8232 -30.8833 64.8233 -45.3002 -118.92 -30.8822 -118.921 290.094 GPRESSURE: 1499200 235.79 59.0589 23.4332 18.87 -6.72208 -141.974 -5.70771 -100.492 378.37 PRESSAVG: 1499200 -2.42112 -17.683 -15.052 -17.6831 -48.3574 -47.2875 -15.0521 -47.2875 21.9212 GPRESSAVG: 1499200 -1.43305 -18.4822 -15.2257 -16.0309 -51.241 -46.9116 -16.5473 -47.5923 23.6092 TIMING: 1499200 CPU: 4473.97, 0.00300705/step Wall: 4473.97, 0.00300705/step, 2.92419 hours remaining, 206.714844 MB of memory in use. ENERGY: 1499200 728.0159 2083.7453 1924.2723 104.6007 -206564.7025 18078.2908 0.0000 0.0000 34320.6076 -149325.1698 299.7304 -183645.7774 -149227.3045 299.1012 172.9887 202.4792 555176.2204 -9.6191 -9.6883 PRESSURE: 1499400 -70.0282 16.9174 137.095 16.9188 82.7532 54.0015 137.095 54.0007 248.9 GPRESSURE: 1499400 -1.49047 -23.5597 91.8593 -22.6522 89.3393 32.4031 229.605 75.6559 272.763 PRESSAVG: 1499400 5.52594 -43.8178 51.894 -43.8177 -1.60865 4.25155 51.894 4.25158 20.0311 GPRESSAVG: 1499400 5.67243 -42.5007 50.2082 -46.0088 -1.20056 3.893 55.3499 3.15705 19.2659 TIMING: 1499400 CPU: 4474.57, 0.00301198/step Wall: 4474.57, 0.00301198/step, 2.92881 hours remaining, 206.714844 MB of memory in use. ENERGY: 1499400 736.7737 2098.8829 1929.1776 108.2687 -206361.5248 18001.3084 0.0000 0.0000 34283.0225 -149204.0911 299.4022 -183487.1136 -149102.9479 299.0594 87.2085 120.2038 558041.1692 7.9828 7.9126 PRESSURE: 1499600 -26.9856 -40.1248 46.7363 -40.125 8.89893 -13.8806 46.735 -13.8805 -90.9725 GPRESSURE: 1499600 29.5722 -104.714 31.4832 -103.755 43.0312 -24.1866 20.4087 -68.1511 -86.4378 PRESSAVG: 1499600 27.7736 -13.2971 5.49267 -13.2971 -66.9777 9.6802 5.4927 9.68021 56.1336 GPRESSAVG: 1499600 27.2012 -13.2773 7.14919 -13.8215 -65.0928 7.21392 1.79647 11.7594 55.0814 TIMING: 1499600 CPU: 4475.17, 0.00301757/step Wall: 4475.17, 0.00301757/step, 2.93409 hours remaining, 206.714844 MB of memory in use. ENERGY: 1499600 767.4370 2058.9964 1894.6131 107.4081 -205782.0810 17716.4180 0.0000 0.0000 34047.5349 -149189.6735 297.3456 -183237.2084 -149092.3319 299.2856 -36.3530 -4.6115 558216.1069 5.6432 5.7299 PRESSURE: 1499800 100.025 -201.96 58.9828 -201.96 -72.1653 14.4686 58.9819 14.4678 -16.3377 GPRESSURE: 1499800 112.223 -175.694 105.617 -236.109 -43.2556 27.9988 -18.9725 27.0629 40.7097 PRESSAVG: 1499800 48.6004 -42.8588 -29.594 -42.8589 -68.9736 -12.6158 -29.5941 -12.6156 -17.0422 GPRESSAVG: 1499800 48.8153 -44.7623 -29.6675 -40.9707 -68.7529 -11.2554 -30.1696 -13.2517 -17.7362 TIMING: 1499800 CPU: 4475.78, 0.00302238/step Wall: 4475.78, 0.00302238/step, 2.93859 hours remaining, 206.714844 MB of memory in use. ENERGY: 1499800 752.3276 2086.5476 1943.5076 119.7905 -206358.8679 18073.6597 0.0000 0.0000 34191.9661 -149191.0688 298.6069 -183383.0348 -149095.7266 298.9371 3.8406 36.5591 557718.6349 -12.4718 -12.5579 PRESSURE: 1500000 -203.2 129.796 33.0961 129.797 -111.549 46.9636 33.096 46.9642 80.1041 GPRESSURE: 1500000 -123.044 247.088 74.7394 147.337 -65.5058 108.419 20.6367 -3.56111 60.5617 PRESSAVG: 1500000 -31.8832 1.9877 -15.2732 1.98765 18.833 -25.9131 -15.2733 -25.9131 27.7124 GPRESSAVG: 1500000 -32.5141 4.76135 -16.4898 0.692125 18.5172 -26.2322 -13.3124 -26.1112 29.2769 TIMING: 1500000 CPU: 4476.38, 0.00302652/step Wall: 4476.38, 0.00302652/step, 2.94245 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1500000 755.2176 2099.4731 1945.4780 121.2645 -205906.8910 17637.9926 0.0000 0.0000 34151.1091 -149196.3561 298.2501 -183347.4652 -149108.3716 299.3475 -78.2148 -42.6627 558514.2241 4.8874 5.0934 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1500000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 1500000 WRITING COORDINATES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1500200 164.135 -63.35 196.309 -63.3507 186.435 7.44683 196.309 7.44566 -253.234 GPRESSURE: 1500200 172.061 -114.849 224.727 -63.8936 212.482 -70.8915 114.971 71.7599 -189.453 PRESSAVG: 1500200 -40.2759 -21.7199 57.7461 -21.72 16.4027 7.14245 57.746 7.14254 5.54509 GPRESSAVG: 1500200 -39.8123 -24.5567 57.5075 -20.9182 15.9719 7.58448 57.2085 7.86577 5.07893 TIMING: 1500200 CPU: 4477, 0.00307503/step Wall: 4477, 0.00307503/step, 2.98944 hours remaining, 206.839844 MB of memory in use. ENERGY: 1500200 724.4194 2103.3720 1939.9692 103.5252 -206098.4026 17763.8808 0.0000 0.0000 34490.5411 -148972.6949 301.2145 -183463.2360 -148866.2131 299.3946 32.4451 65.0298 555828.3833 -6.1094 -6.2538 LDB: ============= START OF LOAD BALANCING ============== 4480.55 LDB: ============== END OF LOAD BALANCING =============== 4480.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4480.55 LDB: ============= START OF LOAD BALANCING ============== 4480.85 LDB: Largest compute 4796 load 0.026741 is 22.6% of average load 0.118158 LDB: Average compute 0.001736 is 1.5% of average load 0.118158 LDB: TIME 4480.86 LOAD: AVG 0.118158 MAX 0.215417 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 4480.86 LOAD: AVG 0.118158 MAX 0.215417 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: TIME 4480.86 LOAD: AVG 0.118158 MAX 0.215417 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: ============== END OF LOAD BALANCING =============== 4480.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4480.86 PRESSURE: 1500400 -264.826 65.8572 104.076 65.8586 60.159 -30.7609 104.078 -30.7621 -100.899 GPRESSURE: 1500400 -197.379 33.7653 28.8784 37.0745 63.9996 -102.607 140.447 15.5706 -75.8697 PRESSAVG: 1500400 -1.35529 -1.84267 -10.8659 -1.8426 56.9591 -19.493 -10.8659 -19.493 -62.9092 GPRESSAVG: 1500400 -1.62308 -1.14659 -10.5005 -0.931769 57.0115 -19.9302 -10.2109 -18.2872 -63.1039 TIMING: 1500400 CPU: 4477.61, 0.00307073/step Wall: 4477.61, 0.00307073/step, 2.98509 hours remaining, 207.226562 MB of memory in use. ENERGY: 1500400 751.4456 2023.2809 1959.5977 124.0564 -205874.0402 17803.3339 0.0000 0.0000 34180.9611 -149031.3646 298.5108 -183212.3257 -148936.8550 299.9326 -101.8552 -69.7498 557884.8248 -2.4351 -2.5718 PRESSURE: 1500600 -15.0177 -91.4054 -56.4065 -91.4047 108.708 -23.1354 -56.4067 -23.1352 147.307 GPRESSURE: 1500600 -12.1717 -54.6527 -5.34111 -86.0377 198.306 -51.4319 -50.6497 10.6892 153.03 PRESSAVG: 1500600 -20.271 21.7252 -8.83983 21.7253 24.7972 -14.5828 -8.8398 -14.5828 23.6721 GPRESSAVG: 1500600 -19.532 23.5573 -8.76071 20.7428 25.1292 -13.3482 -9.28594 -16.8779 22.5031 TIMING: 1500600 CPU: 4478.22, 0.00304409/step Wall: 4478.22, 0.00304409/step, 2.95902 hours remaining, 207.429688 MB of memory in use. ENERGY: 1500600 722.7502 2035.8785 1939.0807 93.8876 -205859.5333 17798.1954 0.0000 0.0000 34420.4457 -148849.2953 300.6023 -183269.7409 -148747.4702 299.9043 80.3324 113.0547 557449.1220 9.3994 9.3668 PRESSURE: 1500800 -180.086 -9.66717 -27.7585 -9.66652 105.846 -146.203 -27.7601 -146.203 -162.451 GPRESSURE: 1500800 -144.631 -11.0202 -73.5596 -45.4835 83.2411 -155.23 8.67784 -124.514 -81.8448 PRESSAVG: 1500800 -9.88253 -15.5171 -8.70707 -15.5172 -10.6904 -34.8057 -8.70713 -34.8057 -0.26751 GPRESSAVG: 1500800 -8.92294 -16.9278 -7.71351 -16.9213 -12.9293 -33.3614 -7.70897 -35.2303 1.44457 TIMING: 1500800 CPU: 4478.82, 0.00299643/step Wall: 4478.82, 0.00299643/step, 2.91253 hours remaining, 207.429688 MB of memory in use. ENERGY: 1500800 768.5223 1992.4872 1955.0499 118.4583 -205799.3974 17663.9856 0.0000 0.0000 34416.2057 -148884.6883 300.5653 -183300.8941 -148781.8208 299.8639 -78.8971 -47.7449 558027.7230 -6.9468 -6.8026 PRESSURE: 1501000 37.0808 -170.71 -27.9428 -170.71 47.6453 -4.56534 -27.942 -4.56477 -118.866 GPRESSURE: 1501000 115.591 -146.149 -20.9253 -102.382 96.7919 1.08097 -83.5318 12.9148 -147.577 PRESSAVG: 1501000 -39.322 -6.49549 2.84557 -6.49552 14.035 -21.9364 2.84561 -21.9364 34.7583 GPRESSAVG: 1501000 -40.8054 -6.46296 2.92814 -2.48846 15.9092 -22.7014 0.854863 -20.8611 34.1868 TIMING: 1501000 CPU: 4479.42, 0.00298682/step Wall: 4479.42, 0.00298682/step, 2.90303 hours remaining, 207.429688 MB of memory in use. ENERGY: 1501000 749.9369 2080.7371 1943.4708 112.5004 -205774.6485 17876.2651 0.0000 0.0000 34109.3665 -148902.3718 297.8856 -183011.7383 -148813.4924 300.5676 -11.3800 21.6022 559135.2694 3.1571 3.0969 PRESSURE: 1501200 -337.452 13.8713 -6.94697 13.8719 -180.948 -95.7118 -6.94673 -95.7126 -132.73 GPRESSURE: 1501200 -264.701 48.7472 -93.2627 56.2567 -201.025 -6.22538 53.7236 -104.387 -97.4603 PRESSAVG: 1501200 -19.3008 -25.533 -30.2063 -25.5331 -62.6401 -40.9287 -30.2064 -40.9286 113.652 GPRESSAVG: 1501200 -17.8923 -24.0982 -30.6005 -29.877 -63.6779 -43.295 -29.3512 -39.8988 113.004 TIMING: 1501200 CPU: 4480.02, 0.00299847/step Wall: 4480.02, 0.00299847/step, 2.91418 hours remaining, 207.429688 MB of memory in use. ENERGY: 1501200 743.2431 2081.2412 1959.1504 116.7626 -205205.1232 17409.4331 0.0000 0.0000 34285.9064 -148609.3863 299.4273 -182895.2926 -148509.8924 300.8952 -217.0433 -187.7288 559566.0189 10.5703 10.4778 PRESSURE: 1501400 -8.61055 -119.277 -0.927608 -119.276 -249.183 -169.259 -0.925592 -169.259 -24.7319 GPRESSURE: 1501400 41.8889 10.4015 0.402844 -152.094 -207.924 -168.434 -11.6573 -74.7557 -20.8006 PRESSAVG: 1501400 -93.5755 -16.4163 -22.4297 -16.4163 -6.24349 10.7689 -22.4298 10.769 94.8214 GPRESSAVG: 1501400 -94.8438 -16.0637 -22.7466 -15.6299 -6.15758 10.6651 -22.6649 10.2428 96.0834 TIMING: 1501400 CPU: 4480.62, 0.00303124/step Wall: 4480.62, 0.00303124/step, 2.94586 hours remaining, 207.429688 MB of memory in use. ENERGY: 1501400 742.5493 2103.1821 1948.0241 105.7952 -205824.5006 17760.1840 0.0000 0.0000 34437.0882 -148727.6777 300.7477 -183164.7658 -148631.1708 299.8896 -94.1751 -62.2786 559600.1387 -1.6659 -1.6393 PRESSURE: 1501600 -60.3869 -25.2615 -1.65573 -25.262 -56.0581 97.1308 -1.65711 97.1313 -303.452 GPRESSURE: 1501600 -78.1783 61.8841 38.5911 -144.81 -13.5423 97.3702 21.9556 91.454 -236.46 PRESSAVG: 1501600 -13.7309 -4.28713 -6.52364 -4.28707 -20.5744 -13.6224 -6.52366 -13.6224 56.1457 GPRESSAVG: 1501600 -14.6105 -7.53826 -6.15393 -2.18473 -20.0076 -11.3691 -5.93835 -14.8018 56.4589 TIMING: 1501600 CPU: 4481.22, 0.00300546/step Wall: 4481.22, 0.00300546/step, 2.92063 hours remaining, 207.429688 MB of memory in use. ENERGY: 1501600 760.0912 2019.7067 1936.5196 116.8659 -205408.5876 17494.4187 0.0000 0.0000 34326.1476 -148754.8378 299.7788 -183080.9854 -148652.5507 300.0531 -139.9656 -109.3936 559555.1900 7.2801 7.2803 PRESSURE: 1501800 -145.204 -79.0822 -73.2534 -79.082 38.1407 -26.6537 -73.2534 -26.6529 -100.626 GPRESSURE: 1501800 -94.5344 -48.9689 -54.8599 -48.9129 66.7093 -41.3825 -102.836 3.00119 -65.0363 PRESSAVG: 1501800 -69.6858 13.96 47.5645 13.96 8.21424 -21.0867 47.5645 -21.0869 44.8899 GPRESSAVG: 1501800 -68.4819 15.5291 47.4594 14.0227 7.3213 -22.3338 47.4722 -20.7381 43.9947 TIMING: 1501800 CPU: 4481.82, 0.00300128/step Wall: 4481.82, 0.00300128/step, 2.91641 hours remaining, 207.429688 MB of memory in use. ENERGY: 1501800 774.1525 2046.5918 1978.0819 113.3063 -205837.4846 17738.5341 0.0000 0.0000 34414.8733 -148771.9446 300.5536 -183186.8179 -148671.7251 300.6284 -69.2296 -30.9538 560253.0040 -5.5272 -5.7220 PRESSURE: 1502000 -107.654 174.521 94.4022 174.522 -28.7173 -109.079 94.4014 -109.079 -292.43 GPRESSURE: 1502000 -83.6294 130.181 80.3677 154.483 -18.2594 -46.4074 144.88 -166.59 -236.458 PRESSAVG: 1502000 -70.5845 13.7067 -9.98805 13.7068 15.233 -57.2095 -9.98808 -57.2096 36.4219 GPRESSAVG: 1502000 -70.9573 13.077 -9.51652 11.1446 15.3685 -55.1355 -10.0025 -58.686 36.7439 TIMING: 1502000 CPU: 4482.42, 0.0029998/step Wall: 4482.42, 0.0029998/step, 2.9148 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1502000 719.6871 2060.7183 1941.5428 115.0234 -205530.3545 17697.2549 0.0000 0.0000 34370.1061 -148626.0218 300.1627 -182996.1279 -148539.0296 300.5801 -142.9340 -112.7821 559781.9124 -6.3099 -6.2816 PRESSURE: 1502200 231.521 -70.206 105.044 -70.2045 153.221 -106.887 105.044 -106.887 212.187 GPRESSURE: 1502200 199.315 -57.9261 42.9339 34.9 184.47 -150.006 83.5909 -64.4261 299.668 PRESSAVG: 1502200 -2.55961 2.52669 9.26668 2.52674 -31.3583 -23.0357 9.26663 -23.0358 24.2814 GPRESSAVG: 1502200 -1.61732 3.20998 7.7311 5.32091 -32.4722 -24.0347 9.9157 -21.6661 24.3585 TIMING: 1502200 CPU: 4483.02, 0.00299666/step Wall: 4483.02, 0.00299666/step, 2.91159 hours remaining, 207.429688 MB of memory in use. ENERGY: 1502200 707.9690 2121.2978 1970.3506 110.2282 -206317.9413 18109.7392 0.0000 0.0000 34528.1505 -148770.2059 301.5429 -183298.3564 -148672.5751 300.8364 198.9763 227.8176 557862.2177 -3.2122 -3.2437 PRESSURE: 1502400 92.5352 34.0337 -99.6368 34.035 -8.77561 36.3431 -99.6399 36.3438 -356.994 GPRESSURE: 1502400 163.483 70.1981 -133.369 -49.0537 7.58028 51.4714 -75.6417 73.5256 -343.847 PRESSAVG: 1502400 -15.0234 -21.817 -29.945 -21.817 49.8918 -85.1343 -29.9451 -85.1343 -47.0366 GPRESSAVG: 1502400 -15.2003 -21.67 -28.3895 -24.1544 49.889 -83.507 -30.2946 -86.7698 -46.9416 TIMING: 1502400 CPU: 4483.62, 0.00299866/step Wall: 4483.62, 0.00299866/step, 2.91337 hours remaining, 207.429688 MB of memory in use. ENERGY: 1502400 772.7985 2037.9747 1965.7346 121.7083 -205780.1656 17608.7784 0.0000 0.0000 34463.2066 -148809.9645 300.9758 -183273.1710 -148713.9169 301.0022 -91.0781 -57.5946 558480.7039 -4.0561 -4.0843 PRESSURE: 1502600 65.7059 104.653 47.3018 104.653 -3.63941 -28.0882 47.3014 -28.089 -34.0401 GPRESSURE: 1502600 70.4205 112.955 79.8093 140.727 29.5558 0.799019 -31.8556 -29.8458 30.0805 PRESSAVG: 1502600 -23.5429 25.7299 -26.1186 25.7299 26.0599 -33.8563 -26.1185 -33.8561 -12.4768 GPRESSAVG: 1502600 -24.603 24.7073 -26.3448 27.6529 27.0855 -35.5021 -27.4885 -32.6286 -12.2309 TIMING: 1502600 CPU: 4484.22, 0.0029907/step Wall: 4484.22, 0.0029907/step, 2.90546 hours remaining, 207.429688 MB of memory in use. ENERGY: 1502600 709.3326 2084.0409 1938.6265 112.5791 -205969.0302 17736.5958 0.0000 0.0000 34533.8247 -148854.0306 301.5925 -183387.8553 -148756.6943 300.6243 9.3421 43.3523 557934.8650 -3.3199 -3.2495 PRESSURE: 1502800 51.596 72.0311 -104.065 72.0305 -138.773 -34.9079 -104.065 -34.9085 -15.3436 GPRESSURE: 1502800 111.291 10.4301 -101.876 131.901 -89.255 -78.9991 -25.2941 -26.4901 -12.6991 PRESSAVG: 1502800 10.6248 13.6804 -26.4074 13.6804 2.8731 -76.9434 -26.4074 -76.9434 14.626 GPRESSAVG: 1502800 11.6066 14.1392 -27.6399 15.1886 2.43496 -78.0376 -26.0822 -76.9915 14.232 TIMING: 1502800 CPU: 4484.81, 0.00295526/step Wall: 4484.81, 0.00295526/step, 2.87087 hours remaining, 207.429688 MB of memory in use. ENERGY: 1502800 737.6792 2083.1116 1939.0060 101.5657 -205968.6711 17739.5981 0.0000 0.0000 34340.4586 -149027.2519 299.9038 -183367.7105 -148928.2293 300.1903 -34.1736 3.1123 558832.0582 9.3746 9.4245 PRESSURE: 1503000 98.0262 29.3369 64.4249 29.336 147.262 16.3856 64.4246 16.3839 99.8122 GPRESSURE: 1503000 106.011 24.7347 113.801 41.022 189.127 -1.21202 69.1442 -20.3761 150.136 PRESSAVG: 1503000 28.8496 37.1078 -26.7594 37.1078 -90.0841 -41.2214 -26.7594 -41.2214 54.9514 GPRESSAVG: 1503000 27.7971 39.6509 -25.3185 36.0217 -88.0079 -40.813 -27.6602 -40.243 54.1327 TIMING: 1503000 CPU: 4485.4, 0.00295666/step Wall: 4485.4, 0.00295666/step, 2.87207 hours remaining, 207.429688 MB of memory in use. ENERGY: 1503000 707.4031 2033.5589 1955.4496 108.0349 -206029.8248 17941.9527 0.0000 0.0000 34302.3979 -148981.0277 299.5714 -183283.4256 -148883.9051 299.6393 115.0333 148.4246 557656.7307 -2.0944 -2.0260 PRESSURE: 1503200 178.331 -86.0947 -3.41205 -86.0941 -215.709 125.266 -3.41195 125.265 33.8514 GPRESSURE: 1503200 197.076 -30.4238 -13.572 -79.0238 -175.867 170.186 8.02167 70.9527 73.3598 PRESSAVG: 1503200 -29.3784 30.4547 28.7698 30.4547 53.307 17.0748 28.7699 17.0748 19.0044 GPRESSAVG: 1503200 -28.4421 28.496 28.6072 31.8955 52.5684 16.5567 27.9221 15.2666 18.7599 TIMING: 1503200 CPU: 4486, 0.00296803/step Wall: 4486, 0.00296803/step, 2.88294 hours remaining, 207.429688 MB of memory in use. ENERGY: 1503200 745.9254 2052.3323 1929.5167 114.5505 -206329.4813 17959.2198 0.0000 0.0000 34434.1844 -149093.7523 300.7223 -183527.9366 -149002.3587 300.5063 -1.1755 31.5231 557509.5294 14.3110 14.2954 PRESSURE: 1503400 -130.219 127.768 -83.0205 127.768 7.71724 -36.5946 -83.0202 -36.5952 -338.052 GPRESSURE: 1503400 -118.83 172.856 -67.344 119.293 56.0674 -65.2078 -34.8913 -25.4245 -316.435 PRESSAVG: 1503400 -4.56739 -16.7186 -1.08755 -16.7185 13.0319 18.3498 -1.08746 18.3498 -23.8671 GPRESSAVG: 1503400 -4.34484 -16.4234 -1.22805 -20.373 11.5096 20.3546 -0.223283 19.8683 -22.8484 TIMING: 1503400 CPU: 4486.59, 0.00297425/step Wall: 4486.59, 0.00297425/step, 2.88882 hours remaining, 207.429688 MB of memory in use. ENERGY: 1503400 764.2700 2055.5379 1930.4101 96.0316 -205882.7672 17682.6755 0.0000 0.0000 34230.9310 -149122.9111 298.9472 -183353.8421 -149030.3976 299.6420 -153.5178 -126.3992 558802.1066 -5.1342 -5.2279 PRESSURE: 1503600 40.6327 -54.8413 57.9068 -54.8424 31.0732 -53.6894 57.9088 -53.6887 72.8427 GPRESSURE: 1503600 19.468 -47.3607 10.348 -86.873 109.68 70.0238 89.6826 -151.783 118.079 PRESSAVG: 1503600 59.9029 25.1118 -7.05604 25.112 -31.0106 -36.5658 -7.0561 -36.5657 -45.0171 GPRESSAVG: 1503600 58.196 26.662 -7.57066 25.6604 -29.7904 -35.4444 -6.27373 -38.4129 -44.902 TIMING: 1503600 CPU: 4487.2, 0.00302068/step Wall: 4487.2, 0.00302068/step, 2.93375 hours remaining, 207.429688 MB of memory in use. ENERGY: 1503600 736.8302 2111.5508 1925.7640 103.0685 -206542.8456 17873.6541 0.0000 0.0000 34381.8894 -149410.0888 300.2656 -183791.9782 -149322.5118 299.0747 48.1829 82.4088 556343.4981 -5.3749 -5.4988 PRESSURE: 1503800 236.947 9.5678 158.953 9.56697 -23.4243 -60.1103 158.954 -60.111 -77.803 GPRESSURE: 1503800 214.338 31.7693 132.069 -13.7244 3.60836 -46.3933 43.1863 -135.37 3.68687 PRESSAVG: 1503800 -15.9167 -32.8486 5.95821 -32.8485 33.2606 -31.0975 5.95819 -31.0974 -31.0322 GPRESSAVG: 1503800 -14.4552 -34.896 5.98145 -32.5411 31.9701 -31.7166 6.8936 -30.9487 -31.9124 TIMING: 1503800 CPU: 4487.81, 0.00305992/step Wall: 4487.81, 0.00305992/step, 2.97169 hours remaining, 207.429688 MB of memory in use. ENERGY: 1503800 759.3893 2076.3060 1907.3945 105.3117 -206377.5056 17929.8257 0.0000 0.0000 34288.8710 -149310.4073 299.4532 -183599.2783 -149206.5333 299.0233 45.2400 73.8779 557562.7186 -4.5628 -4.7992 PRESSURE: 1504000 -44.6668 68.7408 -22.5773 68.7415 118.491 180.178 -22.5771 180.178 117.955 GPRESSURE: 1504000 29.56 48.8706 -63.5988 76.2275 134.535 108.536 85.1971 195.337 120.419 PRESSAVG: 1504000 63.8473 -13.3296 -3.77588 -13.3295 -3.55102 -11.5734 -3.77587 -11.5735 -37.1728 GPRESSAVG: 1504000 63.908 -12.9781 -2.49116 -12.429 -4.19184 -14.0034 -5.09647 -8.55072 -36.1583 TIMING: 1504000 CPU: 4488.41, 0.00301466/step Wall: 4488.41, 0.00301466/step, 2.92757 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1504000 780.1747 2100.0100 1938.7576 122.3153 -206398.7159 18035.9779 0.0000 0.0000 34180.1384 -149241.3420 298.5036 -183421.4804 -149146.1065 299.2431 63.9263 94.8380 557295.5989 7.7078 7.8526 PRESSURE: 1504200 113.037 74.6794 42.167 74.6788 -126.492 -72.1369 42.1666 -72.136 -110.54 GPRESSURE: 1504200 155.562 119.389 13.1252 75.2995 -87.8983 -45.1151 65.7809 -76.0418 -84.686 PRESSAVG: 1504200 18.861 -5.21228 -56.8373 -5.21228 -27.276 12.5563 -56.8373 12.5563 6.82246 GPRESSAVG: 1504200 17.3586 -3.86521 -57.9428 -7.18357 -25.7299 14.6656 -55.7515 10.7938 5.65247 TIMING: 1504200 CPU: 4489.01, 0.00299324/step Wall: 4489.01, 0.00299324/step, 2.9066 hours remaining, 207.429688 MB of memory in use. ENERGY: 1504200 755.9352 2102.4562 1933.4840 116.7707 -206269.8167 17866.8266 0.0000 0.0000 34244.1478 -149250.1962 299.0627 -183494.3440 -149146.8038 299.5948 -41.3315 -5.6743 557865.2576 -0.5308 -0.9063 LDB: ============= START OF LOAD BALANCING ============== 4492.56 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4492.56 LDB: =============== DONE WITH MIGRATION ================ 4492.56 LDB: ============= START OF LOAD BALANCING ============== 4492.86 LDB: Largest compute 4796 load 0.026509 is 22.4% of average load 0.118208 LDB: Average compute 0.001734 is 1.5% of average load 0.118208 LDB: TIME 4492.87 LOAD: AVG 0.118208 MAX 0.213806 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 4492.87 LOAD: AVG 0.118208 MAX 0.213806 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.688 MB LDB: TIME 4492.87 LOAD: AVG 0.118208 MAX 0.213806 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.688 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4492.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4492.87 PRESSURE: 1504400 390.491 -22.0573 -196.605 -22.0566 127.836 -241.524 -196.604 -241.524 40.4704 GPRESSURE: 1504400 341.278 21.8654 -83.3126 -102.08 197.083 -190.164 -185.366 -263.235 122.638 PRESSAVG: 1504400 63.1061 -13.6462 -47.0557 -13.6462 -50.3078 -32.4264 -47.0557 -32.4264 -4.53486 GPRESSAVG: 1504400 63.4577 -14.9569 -46.0813 -11.7938 -50.4364 -32.4207 -47.5429 -32.24 -4.1739 TIMING: 1504400 CPU: 4489.62, 0.0030647/step Wall: 4489.62, 0.0030647/step, 2.97583 hours remaining, 207.996094 MB of memory in use. ENERGY: 1504400 711.1318 2082.3925 1926.0007 103.0355 -206564.5632 18042.1376 0.0000 0.0000 34565.9011 -149133.9640 301.8726 -183699.8651 -149036.6838 299.8341 186.2659 220.3329 557777.2265 2.7545 2.9491 PRESSURE: 1504600 -205.629 -158.017 14.1709 -158.018 -81.365 78.6509 14.1706 78.6509 -202.321 GPRESSURE: 1504600 -176.516 -114.428 -60.4197 -113.129 -20.02 3.26766 69.3772 113.448 -197.148 PRESSAVG: 1504600 -19.6267 -68.1941 1.09345 -68.194 27.8628 -44.3707 1.0934 -44.3707 -6.12367 GPRESSAVG: 1504600 -21.0362 -66.3296 2.20929 -67.9552 28.3721 -48.0144 -0.840988 -41.91 -5.28874 TIMING: 1504600 CPU: 4490.22, 0.00299859/step Wall: 4490.22, 0.00299859/step, 2.91146 hours remaining, 208.199219 MB of memory in use. ENERGY: 1504600 750.3608 2131.9877 1941.2882 108.4249 -205987.1185 17767.9207 0.0000 0.0000 34039.8255 -149247.3107 297.2783 -183287.1362 -149149.7964 299.5213 -163.1050 -131.2278 559120.5956 0.7041 0.6824 PRESSURE: 1504800 -4.40767 180.862 -67.2142 180.862 -98.5957 76.7823 -67.2143 76.7813 -177.878 GPRESSURE: 1504800 52.2858 202.538 -28.758 132.909 -75.9021 137.413 -113.571 136.033 -148.075 PRESSAVG: 1504800 -50.9672 11.5942 -30.8977 11.5941 -18.0497 -34.9775 -30.8977 -34.9776 50.5023 GPRESSAVG: 1504800 -50.4334 11.108 -32.1755 9.57161 -18.83 -34.3439 -29.7481 -35.5695 51.3268 TIMING: 1504800 CPU: 4490.82, 0.0029803/step Wall: 4490.82, 0.0029803/step, 2.89354 hours remaining, 208.199219 MB of memory in use. ENERGY: 1504800 687.7385 2058.5239 1925.3783 107.6218 -206036.5215 17743.4782 0.0000 0.0000 34177.3189 -149336.4619 298.4790 -183513.7808 -149236.1034 299.2394 -93.6270 -57.2304 558658.2430 -6.1715 -5.9789 PRESSURE: 1505000 -223.552 -18.3112 -126.245 -18.3123 72.5922 -164.384 -126.245 -164.387 348.342 GPRESSURE: 1505000 -177.359 -61.6852 -161.765 57.9981 100.113 -155.993 -26.3612 -189.312 394.659 PRESSAVG: 1505000 3.81127 15.7848 43.6452 15.7849 -24.8539 4.83669 43.6453 4.83663 -10.4761 GPRESSAVG: 1505000 2.68396 13.9146 43.8615 16.1143 -24.7862 5.75751 42.8478 4.0791 -8.55089 TIMING: 1505000 CPU: 4491.42, 0.0029912/step Wall: 4491.42, 0.0029912/step, 2.90396 hours remaining, 208.199219 MB of memory in use. ENERGY: 1505000 748.7576 2090.1848 1927.9139 114.1933 -206070.7177 17701.6112 0.0000 0.0000 34255.7415 -149232.3154 299.1639 -183488.0568 -149134.9924 299.8969 65.7942 105.8045 556394.2485 -10.5062 -10.2177 PRESSURE: 1505200 337.644 -131.737 -118.013 -131.738 -138.29 128.249 -118.013 128.248 234.72 GPRESSURE: 1505200 365.023 -182.766 -57.4085 -61.3252 -86.2283 147.533 -131.558 82.8818 237.197 PRESSAVG: 1505200 -33.2723 -5.4502 -26.7577 -5.45014 -3.10263 -2.89301 -26.7576 -2.89317 5.98555 GPRESSAVG: 1505200 -31.6527 -5.12221 -26.8697 -1.78325 -1.30336 -2.27987 -25.5438 -3.63693 3.14411 TIMING: 1505200 CPU: 4492.02, 0.002991/step Wall: 4492.02, 0.002991/step, 2.9036 hours remaining, 208.199219 MB of memory in use. ENERGY: 1505200 732.6113 2044.3867 1922.7278 112.5586 -206054.3255 17793.7945 0.0000 0.0000 34243.6307 -149204.6160 299.0581 -183448.2467 -149112.0778 299.3861 144.6914 171.9973 557973.8149 -10.1298 -9.9373 PRESSURE: 1505400 203.914 -25.892 165.392 -25.8927 132.106 143.073 165.391 143.071 -50.9273 GPRESSURE: 1505400 283.19 -27.2417 134.159 -83.5929 86.0478 122.946 227.208 136.87 17.991 PRESSAVG: 1505400 68.4368 7.76811 -2.49738 7.76812 -58.7093 82.9287 -2.49736 82.9286 4.79669 GPRESSAVG: 1505400 68.522 9.38991 -3.5491 5.62023 -60.0809 82.6017 -1.30164 83.2581 5.84387 TIMING: 1505400 CPU: 4492.61, 0.0029642/step Wall: 4492.61, 0.0029642/step, 2.87742 hours remaining, 208.199219 MB of memory in use. ENERGY: 1505400 704.0867 2086.7796 1945.4728 124.5861 -206272.8197 17970.2612 0.0000 0.0000 34119.3542 -149322.2791 297.9728 -183441.6333 -149222.4608 299.4393 95.0309 129.0763 556778.3750 4.8414 4.7617 PRESSURE: 1505600 -21.2997 80.2 121.864 80.201 -203.884 -122.253 121.864 -122.253 -152.217 GPRESSURE: 1505600 22.1508 99.8219 166.421 71.8772 -207.663 -138.498 148.283 -113.221 -92.1631 PRESSAVG: 1505600 21.8757 8.33165 -51.295 8.33179 24.9321 12.6869 -51.2949 12.687 -30.8579 GPRESSAVG: 1505600 21.1553 6.58991 -51.6383 8.84032 25.5042 12.5909 -52.0861 14.272 -30.8228 TIMING: 1505600 CPU: 4493.2, 0.00297263/step Wall: 4493.2, 0.00297263/step, 2.88543 hours remaining, 208.199219 MB of memory in use. ENERGY: 1505600 734.1452 2037.7361 1954.6478 115.2286 -206306.6318 17533.1106 0.0000 0.0000 34544.1477 -149387.6156 301.6826 -183931.7634 -149288.0395 299.2753 -125.8001 -92.5586 554820.3407 5.3166 5.2789 PRESSURE: 1505800 -124.239 -136.172 144.511 -136.172 269.86 46.9075 144.51 46.9091 196.416 GPRESSURE: 1505800 -65.1987 -184.191 114.203 -152.445 264.943 48.8027 175.726 36.9722 243.114 PRESSAVG: 1505800 70.1602 11.2582 23.7584 11.2581 -76.697 12.7285 23.7584 12.7285 16.2961 GPRESSAVG: 1505800 70.2305 11.9453 22.9621 10.6679 -76.218 11.6263 24.0541 13.2947 15.9263 TIMING: 1505800 CPU: 4493.8, 0.00297395/step Wall: 4493.8, 0.00297395/step, 2.88655 hours remaining, 208.199219 MB of memory in use. ENERGY: 1505800 709.8301 2083.0064 1941.5188 114.6908 -205882.2195 17633.6909 0.0000 0.0000 34059.9921 -149339.4904 297.4544 -183399.4825 -149242.6072 299.2504 114.0121 147.6192 556100.0789 3.2531 3.3129 PRESSURE: 1506000 99.0047 -12.5187 8.60233 -12.5202 -102.27 99.3661 8.60289 99.3658 235.109 GPRESSURE: 1506000 80.2257 -10.5491 49.7508 -51.0773 -20.9854 80.0719 -79.5334 79.5133 248.456 PRESSAVG: 1506000 -53.1451 35.553 -13.7269 35.5529 15.8084 51.435 -13.727 51.435 62.9016 GPRESSAVG: 1506000 -53.3411 34.3751 -11.6939 36.931 14.45 52.3701 -13.32 51.6588 64.2963 TIMING: 1506000 CPU: 4494.4, 0.00301118/step Wall: 4494.4, 0.00301118/step, 2.92252 hours remaining, 208.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1506000 770.2481 2059.7799 1944.2139 119.3774 -206316.4293 17805.8647 0.0000 0.0000 34266.3015 -149350.6438 299.2561 -183616.9453 -149255.7365 298.6133 77.2811 102.5655 555181.9620 8.5216 8.4684 PRESSURE: 1506200 143.195 84.2168 95.7894 84.2165 -229.328 -18.803 95.792 -18.8029 -159.715 GPRESSURE: 1506200 134.419 16.9114 84.7616 55.3695 -165.498 -51.3069 193.088 -17.5744 -101.817 PRESSAVG: 1506200 6.09403 3.22764 9.12404 3.22764 -30.8134 11.7034 9.12414 11.7034 34.2981 GPRESSAVG: 1506200 7.15527 2.84055 8.77712 3.02712 -30.6184 12.7967 9.86801 9.79366 32.6608 TIMING: 1506200 CPU: 4495, 0.0029763/step Wall: 4495, 0.0029763/step, 2.8885 hours remaining, 208.199219 MB of memory in use. ENERGY: 1506200 751.4919 2103.3566 1953.2335 119.5872 -205993.2274 17507.3351 0.0000 0.0000 34243.8372 -149314.3860 299.0599 -183558.2232 -149216.5771 298.8600 -81.9496 -44.2986 555457.7544 3.1929 3.0659 PRESSURE: 1506400 -94.734 -157.789 -59.9296 -157.789 -15.0373 -107.911 -59.9289 -107.91 -212.249 GPRESSURE: 1506400 -61.4201 -111.249 22.1204 -168.947 -18.8737 -136.82 -67.5334 -85.026 -147.946 PRESSAVG: 1506400 29.0495 -33.6105 -0.822029 -33.6105 -44.2202 -17.8298 -0.822049 -17.8298 6.0918 GPRESSAVG: 1506400 28.216 -33.7992 -0.974114 -33.0703 -43.6185 -17.3258 -1.62582 -17.4561 6.44677 TIMING: 1506400 CPU: 4495.59, 0.00297545/step Wall: 4495.59, 0.00297545/step, 2.88751 hours remaining, 208.199219 MB of memory in use. ENERGY: 1506400 721.6573 2087.9841 1940.2336 113.3711 -205773.6786 17399.2118 0.0000 0.0000 34135.2263 -149375.9944 298.1114 -183511.2208 -149271.9871 298.3300 -107.3400 -76.0800 556438.9159 -3.0263 -2.9853 PRESSURE: 1506600 515.348 -122.746 140.855 -122.747 327.789 14.1284 140.856 14.1283 323.135 GPRESSURE: 1506600 554.145 -185.839 130.641 -77.1774 330.189 6.31831 147.038 71.36 373.194 PRESSAVG: 1506600 113.252 7.71426 51.1881 7.71426 -61.4559 10.6339 51.1881 10.6339 -6.34344 GPRESSAVG: 1506600 113.327 8.00647 51.155 7.46298 -61.0096 10.8475 50.0366 11.4193 -7.31076 TIMING: 1506600 CPU: 4496.19, 0.00298379/step Wall: 4496.19, 0.00298379/step, 2.89543 hours remaining, 208.199219 MB of memory in use. ENERGY: 1506600 746.2869 2063.5843 1924.1610 119.5578 -206709.6297 18372.6551 0.0000 0.0000 34174.5565 -149308.8282 298.4549 -183483.3847 -149215.7471 298.7600 388.7575 419.1760 555321.6646 15.1510 15.0022 PRESSURE: 1506800 -206.159 28.272 119.07 28.2738 -310.417 -14.0275 119.071 -14.0282 -37.3202 GPRESSURE: 1506800 -167.257 -17.9577 180.595 107.935 -245.209 53.4944 -21.1399 12.1359 -45.0449 PRESSAVG: 1506800 -41.8871 41.9037 -22.9949 41.9038 23.1996 28.0514 -22.9949 28.0515 51.2842 GPRESSAVG: 1506800 -41.5687 43.1051 -24.6097 43.1518 22.3749 27.4697 -20.1954 26.6555 52.0915 TIMING: 1506800 CPU: 4496.78, 0.00298067/step Wall: 4496.78, 0.00298067/step, 2.89224 hours remaining, 208.199219 MB of memory in use. ENERGY: 1506800 738.8124 2071.8993 1913.3863 119.7362 -206209.7706 17676.7010 0.0000 0.0000 34393.2652 -149295.9702 300.3649 -183689.2355 -149199.9708 298.9175 -184.6322 -152.5035 558662.2796 10.8656 10.9659 PRESSURE: 1507000 -105.013 177.036 131.719 177.035 -39.6479 -54.4704 131.719 -54.4716 -77.2614 GPRESSURE: 1507000 -79.9559 182.864 113.813 165.014 -47.2726 -116.037 163.381 -20.0951 -11.6419 PRESSAVG: 1507000 -9.91012 31.5642 -41.8819 31.5642 7.67858 -8.44606 -41.8819 -8.44605 34.1171 GPRESSAVG: 1507000 -9.39026 29.7459 -40.9676 30.8762 6.69915 -6.88101 -43.2338 -8.34394 34.7889 TIMING: 1507000 CPU: 4497.38, 0.00299964/step Wall: 4497.38, 0.00299964/step, 2.91049 hours remaining, 208.199219 MB of memory in use. ENERGY: 1507000 718.5923 2078.5185 1944.1731 120.3167 -205776.3968 17526.5490 0.0000 0.0000 34228.8663 -149159.3808 298.9292 -183388.2471 -149064.3557 299.3726 -73.9741 -46.2901 557822.3199 10.6285 10.6993 PRESSURE: 1507200 -131.808 -15.6716 -7.87673 -15.6709 -151.176 -82.2578 -7.87641 -82.2581 -174.879 GPRESSURE: 1507200 -115.096 -20.8204 -61.3788 -16.1714 -117.882 -59.5708 -20.6949 -97.8249 -144.336 PRESSAVG: 1507200 -77.2348 -1.40046 8.48975 -1.40048 -11.0765 -24.7787 8.48969 -24.7787 71.4132 GPRESSAVG: 1507200 -78.0203 1.38246 7.67628 -4.12216 -10.9877 -26.4368 8.85194 -23.8707 72.0367 TIMING: 1507200 CPU: 4497.98, 0.00298309/step Wall: 4497.98, 0.00298309/step, 2.89426 hours remaining, 208.199219 MB of memory in use. ENERGY: 1507200 757.3698 2149.1707 1917.3609 95.3516 -205786.5439 17680.5753 0.0000 0.0000 34314.0884 -148872.6272 299.6735 -183186.7155 -148769.7764 299.9746 -152.6210 -125.7712 558799.1679 -5.6327 -5.6571 PRESSURE: 1507400 186.579 163.077 208.597 163.078 -76.978 -29.7593 208.597 -29.7573 61.7148 GPRESSURE: 1507400 173.055 209.062 224.112 133.57 -5.05803 12.269 165.166 12.9464 111.024 PRESSAVG: 1507400 27.6589 -26.5592 32.1571 -26.5591 -61.799 -30.132 32.1571 -30.132 12.3067 GPRESSAVG: 1507400 27.8389 -27.0131 31.753 -25.4159 -60.1594 -31.2946 30.1144 -29.2375 10.7459 TIMING: 1507400 CPU: 4498.59, 0.00302718/step Wall: 4498.59, 0.00302718/step, 2.93687 hours remaining, 208.199219 MB of memory in use. ENERGY: 1507400 717.0767 2110.4306 1930.3125 110.2303 -205987.9082 17815.7064 0.0000 0.0000 34384.6262 -148919.5255 300.2895 -183304.1517 -148827.3133 301.2531 57.1054 93.0069 558114.1433 -7.2778 -7.1915 PRESSURE: 1507600 53.812 3.22794 -26.7499 3.22644 -127.198 -160.234 -26.7511 -160.233 67.3757 GPRESSURE: 1507600 32.4301 18.0803 -57.637 -54.795 -103.517 -12.7146 17.1893 -164.157 165.779 PRESSAVG: 1507600 25.6808 20.899 44.2119 20.8991 -14.9303 6.85562 44.2119 6.85575 12.4528 GPRESSAVG: 1507600 26.7777 20.7317 43.9007 22.3407 -16.458 10.4248 45.9986 4.3965 12.856 TIMING: 1507600 CPU: 4499.19, 0.00301552/step Wall: 4499.19, 0.00301552/step, 2.92539 hours remaining, 208.199219 MB of memory in use. ENERGY: 1507600 777.5889 2087.1420 1918.3994 117.4659 -206068.3314 17923.0420 0.0000 0.0000 34159.3364 -149085.3568 298.3220 -183244.6932 -148984.4079 299.9367 -2.0035 31.5641 558558.6616 7.7345 7.7253 PRESSURE: 1507800 138.201 -119.583 54.1392 -119.582 162.069 -67.2756 54.1394 -67.2775 -2.30872 GPRESSURE: 1507800 201.804 -97.1798 94.2303 -104.867 166.754 -0.28157 41.6607 -53.1778 36.5527 PRESSAVG: 1507800 -50.3655 20.28 18.4426 20.2801 23.5452 -27.0314 18.4427 -27.0315 16.7766 GPRESSAVG: 1507800 -52.8774 19.2683 23.3497 21.786 23.5363 -30.1132 15.8911 -24.3988 19.3131 TIMING: 1507800 CPU: 4499.79, 0.00298333/step Wall: 4499.79, 0.00298333/step, 2.894 hours remaining, 208.199219 MB of memory in use. ENERGY: 1507800 745.4301 2074.9485 1906.6225 118.7977 -206308.9187 17979.1989 0.0000 0.0000 34349.8433 -149134.0777 299.9857 -183483.9210 -149042.9812 299.2171 99.3203 135.0370 557363.7700 -3.3479 -3.3427 PRESSURE: 1508000 -215.898 -57.0427 -117.363 -57.0417 -198.271 45.0512 -117.363 45.0526 -120.235 GPRESSURE: 1508000 -208.391 -143.663 -87.9248 34.9369 -88.3689 111.552 -141.422 13.7376 -138.036 PRESSAVG: 1508000 -27.4312 -1.68173 5.17996 -1.68174 5.79044 -9.04888 5.17987 -9.04881 15.1731 GPRESSAVG: 1508000 -26.4083 0.050505 2.72725 -4.24141 5.82188 -7.18493 5.74348 -10.7548 14.018 TIMING: 1508000 CPU: 4500.38, 0.00299486/step Wall: 4500.38, 0.00299486/step, 2.90502 hours remaining, 208.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1508000 711.9226 2112.4330 1937.7423 129.3852 -205910.3840 17496.2736 0.0000 0.0000 34355.4730 -149167.1543 300.0349 -183522.6273 -149070.6810 299.4362 -178.1344 -144.9321 558259.4597 -2.1559 -2.1895 PRESSURE: 1508200 -96.5524 22.7757 74.0919 22.7773 66.9465 109.469 74.0933 109.47 233.125 GPRESSURE: 1508200 -72.4178 75.1161 103.932 4.63934 137.682 159.626 70.6977 26.571 240.999 PRESSAVG: 1508200 -4.17855 44.2608 11.2352 44.2609 -12.0494 -14.0994 11.2352 -14.0994 49.1868 GPRESSAVG: 1508200 -4.06286 44.1517 10.1606 43.5109 -11.5507 -14.5599 10.5738 -13.7511 48.8649 TIMING: 1508200 CPU: 4500.98, 0.00299768/step Wall: 4500.98, 0.00299768/step, 2.90758 hours remaining, 208.199219 MB of memory in use. ENERGY: 1508200 751.5398 2113.4804 1960.5728 110.8533 -206593.8071 17921.0329 0.0000 0.0000 34516.4702 -149219.8577 301.4409 -183736.3279 -149119.0996 300.5547 67.8396 102.0878 554934.6690 10.9863 11.0838 LDB: ============= START OF LOAD BALANCING ============== 4504.54 LDB: ============== END OF LOAD BALANCING =============== 4504.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4504.54 LDB: ============= START OF LOAD BALANCING ============== 4504.84 LDB: Largest compute 4773 load 0.026744 is 22.6% of average load 0.118136 LDB: Average compute 0.001738 is 1.5% of average load 0.118136 LDB: TIME 4504.84 LOAD: AVG 0.118136 MAX 0.213652 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 4504.84 LOAD: AVG 0.118136 MAX 0.213652 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.289 MB LDB: TIME 4504.84 LOAD: AVG 0.118136 MAX 0.213652 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.289 MB LDB: ============== END OF LOAD BALANCING =============== 4504.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4504.85 PRESSURE: 1508400 157.579 94.2425 -135.997 94.2418 86.2657 -96.4428 -135.998 -96.4432 -100.624 GPRESSURE: 1508400 197.995 109.868 -93.202 10.005 137.251 -11.3542 -134.592 -148.677 -94.9896 PRESSAVG: 1508400 4.85752 34.3274 -52.5579 34.3274 8.05869 38.5999 -52.5579 38.5999 12.2208 GPRESSAVG: 1508400 5.38764 34.5108 -53.7869 34.5528 8.30986 35.9157 -49.8951 40.7046 11.5794 TIMING: 1508400 CPU: 4501.6, 0.00306479/step Wall: 4501.6, 0.00306479/step, 2.9725 hours remaining, 206.714844 MB of memory in use. ENERGY: 1508400 774.0633 2135.5994 1939.8410 103.9771 -206310.9358 17838.8184 0.0000 0.0000 34266.7748 -149251.8619 299.2603 -183518.6367 -149163.1504 299.6833 47.7404 80.0856 555967.8975 8.3790 8.4256 PRESSURE: 1508600 -228.091 0.649743 -15.6822 0.650526 72.6852 50.2764 -15.683 50.2767 -153.857 GPRESSURE: 1508600 -142.719 79.3196 -17.9306 -19.6326 80.8483 78.3811 9.99564 -17.4269 -138.187 PRESSAVG: 1508600 -80.5475 -41.111 -27.5024 -41.111 6.89597 -7.00157 -27.5025 -7.00153 0.754659 GPRESSAVG: 1508600 -80.5965 -40.458 -26.4827 -41.1363 6.10503 -6.23083 -28.5461 -9.14656 1.75291 TIMING: 1508600 CPU: 4502.2, 0.00301311/step Wall: 4502.2, 0.00301311/step, 2.92222 hours remaining, 206.714844 MB of memory in use. ENERGY: 1508600 736.3506 2081.2176 1938.9885 103.2359 -205874.4173 17506.0608 0.0000 0.0000 34363.8151 -149144.7488 300.1077 -183508.5640 -149046.7478 299.1034 -103.0878 -66.6860 557524.3151 -24.2990 -24.2462 PRESSURE: 1508800 161.509 -119.785 -34.6385 -119.787 28.4311 117.385 -34.6388 117.383 137.719 GPRESSURE: 1508800 156.911 -117.715 56.7571 -128.108 38.6803 -6.3164 -67.1705 179.027 224.469 PRESSAVG: 1508800 28.5831 -65.5144 -16.6557 -65.5145 14.5648 4.80433 -16.6556 4.80443 -54.2935 GPRESSAVG: 1508800 28.8992 -67.3776 -17.0585 -64.2597 14.0565 3.86672 -15.9047 6.40594 -53.6353 TIMING: 1508800 CPU: 4502.8, 0.00299079/step Wall: 4502.8, 0.00299079/step, 2.9004 hours remaining, 206.714844 MB of memory in use. ENERGY: 1508800 722.3896 2078.4053 1925.8455 107.9655 -206069.4453 17783.2621 0.0000 0.0000 34275.8458 -149175.7315 299.3395 -183451.5773 -149080.7878 299.4226 109.2197 140.0200 556866.9920 -3.7152 -3.5599 PRESSURE: 1509000 72.9216 58.6383 -70.0704 58.6382 -149.328 125.395 -70.0715 125.396 -79.4923 GPRESSURE: 1509000 88.5627 29.5414 -53.391 107.036 -106.994 133.726 -29.4324 61.5492 -39.8646 PRESSAVG: 1509000 15.9729 -53.9523 -7.60798 -53.9523 -23.9107 -9.92116 -7.60791 -9.92117 14.0933 GPRESSAVG: 1509000 14.5943 -52.8254 -5.26458 -54.5041 -21.9722 -9.27216 -8.76072 -11.855 13.3004 TIMING: 1509000 CPU: 4503.39, 0.00294627/step Wall: 4503.39, 0.00294627/step, 2.85707 hours remaining, 206.714844 MB of memory in use. ENERGY: 1509000 704.4759 2089.7475 1944.0802 114.2722 -205640.1493 17518.1109 0.0000 0.0000 34154.2843 -149115.1782 298.2779 -183269.4625 -149016.1519 299.0018 -51.9663 -19.4320 557203.9331 2.0518 1.9742 PRESSURE: 1509200 2.18 50.7375 -8.59367 50.7379 134.504 72.2141 -8.59351 72.2122 39.5907 GPRESSURE: 1509200 30.5613 27.5475 27.1554 80.1736 193.707 -7.39041 11.7317 76.1786 43.0864 PRESSAVG: 1509200 47.1503 -3.20809 -11.2432 -3.20805 -38.7056 -13.1598 -11.2431 -13.1599 35.3052 GPRESSAVG: 1509200 46.9312 -2.88001 -11.9627 -2.4735 -37.8395 -13.2952 -11.5086 -14.8219 34.4886 TIMING: 1509200 CPU: 4503.98, 0.00295248/step Wall: 4503.98, 0.00295248/step, 2.86292 hours remaining, 206.714844 MB of memory in use. ENERGY: 1509200 750.7861 2078.8161 1935.3339 112.0972 -206207.6145 17970.6317 0.0000 0.0000 34457.2193 -148902.7302 300.9235 -183359.9495 -148807.5276 299.6211 58.7584 89.1183 557033.2846 14.5833 14.5268 PRESSURE: 1509400 10.0394 -75.3832 -104.145 -75.3842 -180.87 35.0377 -104.144 35.0362 51.7078 GPRESSURE: 1509400 20.0394 -79.1212 -43.0374 -139.857 -155.542 107.838 -71.6542 -41.7489 109.193 PRESSAVG: 1509400 44.1138 -17.9221 -28.6669 -17.9222 -41.9093 39.0251 -28.6668 39.025 -28.965 GPRESSAVG: 1509400 44.2593 -16.5786 -28.5152 -19.9175 -43.4317 40.059 -26.3409 39.1001 -27.3117 TIMING: 1509400 CPU: 4504.57, 0.00296708/step Wall: 4504.57, 0.00296708/step, 2.87692 hours remaining, 206.714844 MB of memory in use. ENERGY: 1509400 770.9591 2083.5301 1955.7354 118.5564 -206014.9876 17739.6551 0.0000 0.0000 34540.5359 -148806.0157 301.6511 -183346.5516 -148708.7786 300.2343 -39.7075 -8.7699 557319.2998 -8.9202 -8.8280 PRESSURE: 1509600 -72.0891 -110.895 -100.802 -110.896 117.625 111.585 -100.801 111.585 59.8101 GPRESSURE: 1509600 -19.0469 -132.849 -145.784 -122.559 151.118 179.4 -107.54 76.4267 87.2277 PRESSAVG: 1509600 -14.8708 35.4541 -59.6031 35.4541 -46.1185 -8.54405 -59.6031 -8.54406 43.8174 GPRESSAVG: 1509600 -14.4675 34.1218 -59.9179 36.4913 -45.7486 -6.48263 -59.4572 -8.35095 42.9462 TIMING: 1509600 CPU: 4505.16, 0.00294804/step Wall: 4505.16, 0.00294804/step, 2.85829 hours remaining, 206.714844 MB of memory in use. ENERGY: 1509600 735.5500 2102.5455 1916.8326 120.2344 -205773.6154 17914.1922 0.0000 0.0000 34246.5689 -148737.6917 299.0838 -182984.2606 -148635.1391 300.5181 35.1155 73.0995 558129.4872 -5.7240 -5.7566 PRESSURE: 1509800 -160.8 40.9066 -48.1625 40.9066 -97.0606 44.7491 -48.1626 44.7482 91.7655 GPRESSURE: 1509800 -112.68 -4.16443 -24.3176 94.4033 -56.9639 -2.91959 -29.2958 10.7039 92.8834 PRESSAVG: 1509800 -37.6333 8.59606 -23.1792 8.59599 46.029 39.0281 -23.1792 39.0281 -8.43383 GPRESSAVG: 1509800 -37.0623 9.42801 -23.9048 8.57953 45.254 39.3347 -23.1343 38.7772 -8.77468 TIMING: 1509800 CPU: 4505.76, 0.00298833/step Wall: 4505.76, 0.00298833/step, 2.89719 hours remaining, 206.714844 MB of memory in use. ENERGY: 1509800 781.6896 2131.1102 1934.0692 117.9690 -206011.7539 17770.6183 0.0000 0.0000 34411.4680 -148864.8296 300.5239 -183276.2975 -148770.2340 299.8587 -55.3650 -25.5868 557638.2745 -0.0127 -0.1943 PRESSURE: 1510000 21.6026 -48.7974 102.295 -48.7983 33.4408 -22.0817 102.294 -22.0811 22.4475 GPRESSURE: 1510000 43.3819 -45.5043 159.921 3.17327 133.858 13.6389 92.6344 22.8309 -4.30137 PRESSAVG: 1510000 52.7278 79.0838 -13.0471 79.0838 -6.96804 6.28798 -13.0471 6.28791 -48.3964 GPRESSAVG: 1510000 51.6417 76.3205 -12.9017 81.4183 -6.18517 4.53058 -13.7317 9.08723 -47.6774 TIMING: 1510000 CPU: 4506.36, 0.00301118/step Wall: 4506.36, 0.00301118/step, 2.91918 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1510000 768.0488 2088.7207 1939.6013 114.9966 -206159.2662 17924.5400 0.0000 0.0000 34340.3674 -148982.9913 299.9030 -183323.3587 -148888.3242 300.0537 25.8303 57.6462 559031.2201 -0.8789 -0.7403 PRESSURE: 1510200 -110.62 -29.6816 68.0138 -29.6806 -221.929 75.3759 68.014 75.3739 67.8648 GPRESSURE: 1510200 -74.0867 -41.2932 70.8981 -38.4984 -182.692 27.8587 83.1785 75.8415 79.7904 PRESSAVG: 1510200 7.5877 -39.9304 -30.474 -39.9304 -44.7768 36.1735 -30.4739 36.1735 20.6489 GPRESSAVG: 1510200 7.71083 -38.2179 -31.533 -42.9165 -44.373 38.1729 -28.6188 32.7112 20.6102 TIMING: 1510200 CPU: 4506.97, 0.00302803/step Wall: 4506.97, 0.00302803/step, 2.93534 hours remaining, 206.714844 MB of memory in use. ENERGY: 1510200 728.4786 2093.6453 1935.7139 105.4184 -206063.7976 17725.6721 0.0000 0.0000 34430.3685 -149044.5006 300.6890 -183474.8692 -148948.5986 300.4025 -88.2280 -58.9960 558488.1117 -5.5134 -5.3506 PRESSURE: 1510400 3.57028 -134.061 -46.4946 -134.058 140.137 86.5611 -46.4949 86.5623 -65.8554 GPRESSURE: 1510400 72.7865 -139.385 -54.6137 -75.3223 167.238 21.6715 -57.0945 126.497 -69.8242 PRESSAVG: 1510400 16.8574 -58.0163 34.353 -58.0161 4.5121 -18.9676 34.353 -18.9676 11.6549 GPRESSAVG: 1510400 17.2921 -59.7757 34.5966 -56.5346 3.73982 -20.9336 32.442 -16.7589 12.0225 TIMING: 1510400 CPU: 4507.57, 0.00301673/step Wall: 4507.57, 0.00301673/step, 2.92422 hours remaining, 206.714844 MB of memory in use. ENERGY: 1510400 712.8497 2139.8524 1929.9467 100.8970 -205892.5387 17720.5373 0.0000 0.0000 34432.0135 -148856.4422 300.7033 -183288.4557 -148767.3734 300.8607 25.9505 56.7334 556421.1857 11.0081 11.0181 PRESSURE: 1510600 -108.902 25.1431 81.2102 25.1447 -41.0964 -54.0546 81.211 -54.0538 -183.339 GPRESSURE: 1510600 -6.56562 76.5139 101.087 -38.0472 -47.1352 22.2068 57.4133 -75.5849 -182.127 PRESSAVG: 1510600 69.564 -32.4233 38.5214 -32.4234 8.37049 -44.6616 38.5215 -44.6617 -20.2356 GPRESSAVG: 1510600 70.6658 -32.206 39.7413 -32.9785 7.58403 -44.8408 39.3767 -47.1387 -20.517 TIMING: 1510600 CPU: 4508.17, 0.00302278/step Wall: 4508.17, 0.00302278/step, 2.92991 hours remaining, 206.714844 MB of memory in use. ENERGY: 1510600 763.4821 2089.8537 1929.0154 118.4732 -205865.3498 17710.2491 0.0000 0.0000 34428.5697 -148825.7066 300.6733 -183254.2764 -148728.9336 299.8283 -111.1124 -78.6091 557821.0455 19.2330 19.2443 PRESSURE: 1510800 38.4031 -161.26 -60.7726 -161.262 -100.881 95.4661 -60.773 95.4669 15.1314 GPRESSURE: 1510800 59.9172 -127.489 -34.178 -173.829 -51.0923 118.184 -88.7469 110.861 53.4036 PRESSAVG: 1510800 -11.0175 8.90386 39.949 8.90376 47.5424 3.08545 39.949 3.08547 26.6642 GPRESSAVG: 1510800 -11.3779 9.50222 40.4146 9.52517 48.0213 1.52724 39.3169 8.38616 26.5713 TIMING: 1510800 CPU: 4508.78, 0.00302536/step Wall: 4508.78, 0.00302535/step, 2.93224 hours remaining, 206.714844 MB of memory in use. ENERGY: 1510800 732.7418 2115.5160 1915.6823 105.8006 -206172.0157 17852.3610 0.0000 0.0000 34439.0422 -149010.8719 300.7647 -183449.9140 -148918.0969 300.1596 -15.7822 20.7429 558110.8662 21.0631 21.0716 PRESSURE: 1511000 -135.651 -129.305 57.3469 -129.305 -209.877 -77.9438 57.3463 -77.9436 -77.0391 GPRESSURE: 1511000 -49.1315 -154.197 35.7571 -100.623 -236.811 -149.11 120.4 -25.119 -37.2526 PRESSAVG: 1511000 -6.09054 -23.8988 -6.69812 -23.8989 -6.50367 42.7356 -6.69806 42.7356 -9.89182 GPRESSAVG: 1511000 -6.76473 -25.2066 -6.45353 -23.0009 -5.35133 43.9921 -5.41094 38.6368 -10.1992 TIMING: 1511000 CPU: 4509.38, 0.00299506/step Wall: 4509.38, 0.00299506/step, 2.90272 hours remaining, 206.714844 MB of memory in use. ENERGY: 1511000 747.4971 2095.4624 1913.8213 116.7258 -205816.1321 17559.2438 0.0000 0.0000 34352.6886 -149030.6932 300.0106 -183383.3818 -148931.0268 299.8511 -140.8557 -107.7318 557927.6154 -7.4953 -7.4384 PRESSURE: 1511200 -48.4314 -8.30703 101.435 -8.3072 -185.011 76.8988 101.434 76.8986 -9.39944 GPRESSURE: 1511200 -22.0674 37.9547 131.806 -82.0115 -180.15 12.6783 76.7028 162.921 53.8176 PRESSAVG: 1511200 -13.5351 -48.4093 -5.66549 -48.4094 -41.1866 -19.3278 -5.66559 -19.3278 45.0437 GPRESSAVG: 1511200 -13.6167 -46.9413 -5.46338 -49.0275 -41.0019 -20.1212 -8.01137 -15.8393 44.7796 TIMING: 1511200 CPU: 4509.98, 0.00299401/step Wall: 4509.98, 0.00299401/step, 2.90153 hours remaining, 206.714844 MB of memory in use. ENERGY: 1511200 720.6273 2048.9470 1913.7252 110.5238 -205913.6608 17720.4399 0.0000 0.0000 34202.1550 -149197.2427 298.6959 -183399.3976 -149100.5789 299.0639 -80.9474 -49.4667 558619.6494 -3.2260 -3.2797 PRESSURE: 1511400 -246.061 -17.6656 -157.917 -17.6661 -135 -48.8776 -157.916 -48.8777 -85.1391 GPRESSURE: 1511400 -233.989 -2.00693 -192.389 -42.6114 -50.4526 -24.9859 -164.242 -109.386 -74.9882 PRESSAVG: 1511400 42.6885 -12.733 -25.4537 -12.733 -24.6531 52.4916 -25.4538 52.4916 18.5037 GPRESSAVG: 1511400 43.5058 -13.407 -27.9545 -12.1996 -25.7479 51.4999 -23.2036 51.5539 18.7537 TIMING: 1511400 CPU: 4510.57, 0.0029714/step Wall: 4510.57, 0.0029714/step, 2.87945 hours remaining, 206.714844 MB of memory in use. ENERGY: 1511400 739.2742 2099.3349 1905.3227 114.5359 -205996.3935 17612.2240 0.0000 0.0000 34415.5759 -149110.1258 300.5598 -183525.7018 -149010.1091 299.6641 -155.3998 -119.8099 559565.9772 12.1797 12.1705 PRESSURE: 1511600 -214.047 -20.4906 -53.7947 -20.4914 -74.8298 15.1955 -53.795 15.196 90.2389 GPRESSURE: 1511600 -178.619 68.6443 -165.644 -48.2286 -47.8641 -27.3437 -39.6867 -19.2867 116.041 PRESSAVG: 1511600 46.3215 -27.2722 -2.65124 -27.2724 -30.7846 12.544 -2.65129 12.544 39.525 GPRESSAVG: 1511600 44.6623 -27.777 -4.4327 -27.5052 -29.8347 13.9583 -1.45409 12.1248 39.7861 TIMING: 1511600 CPU: 4511.17, 0.00298337/step Wall: 4511.17, 0.00298337/step, 2.89089 hours remaining, 206.714844 MB of memory in use. ENERGY: 1511600 800.8062 2058.2358 1906.9585 104.7752 -206137.2773 17869.9723 0.0000 0.0000 34343.3161 -149053.2132 299.9287 -183396.5293 -148959.7107 299.8463 -66.2127 -36.8139 556948.1759 18.3540 18.2046 PRESSURE: 1511800 316.104 -95.5627 -2.18575 -95.5622 171.472 94.3708 -2.18752 94.3717 87.5547 GPRESSURE: 1511800 322.264 -102.169 -39.7656 -21.4478 234.355 44.0316 59.2148 133.941 113.31 PRESSAVG: 1511800 0.58524 8.3822 32.4358 8.38219 -7.6909 -30.56 32.4358 -30.56 -24.2461 GPRESSAVG: 1511800 1.07643 10.42 34.8354 7.74198 -8.01794 -31.7471 31.4458 -28.999 -24.2672 TIMING: 1511800 CPU: 4511.77, 0.00302053/step Wall: 4511.77, 0.00302053/step, 2.92673 hours remaining, 206.714844 MB of memory in use. ENERGY: 1511800 729.6350 2124.5564 1928.6904 119.8115 -206158.2991 17918.7854 0.0000 0.0000 34290.0335 -149046.7869 299.4634 -183336.8204 -148952.5957 299.4375 191.7103 223.3096 557131.5204 -10.4506 -10.4029 PRESSURE: 1512000 -133.274 29.8282 -13.8175 29.8281 -103.275 112.3 -13.8179 112.3 215.029 GPRESSURE: 1512000 -135.607 78.8554 93.4028 34.1334 -35.9479 184.128 -93.8065 10.487 251.731 PRESSAVG: 1512000 2.28145 -13.9873 9.74692 -13.9874 19.4252 68.487 9.74688 68.4871 6.10725 GPRESSAVG: 1512000 2.4343 -14.3109 8.90778 -14.1843 19.8886 70.6653 9.2038 66.3033 5.62803 TIMING: 1512000 CPU: 4512.37, 0.00299658/step Wall: 4512.37, 0.00299658/step, 2.90335 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1512000 725.4119 2116.3794 1955.9562 115.4493 -206079.2261 17873.4939 0.0000 0.0000 34272.9285 -149019.6068 299.3140 -183292.5353 -148918.2796 300.0572 -7.1731 26.7254 559156.4205 9.2713 9.3170 PRESSURE: 1512200 -177.218 20.9706 -100.884 20.97 -431.783 -35.6596 -100.883 -35.6615 -167.194 GPRESSURE: 1512200 -134.565 -1.12185 -61.4537 -24.673 -332.406 -112.807 -118.246 23.8875 -217.682 PRESSAVG: 1512200 -20.8802 22.6888 46.4015 22.6889 -42.7715 20.3926 46.4016 20.3926 58.8759 GPRESSAVG: 1512200 -20.4519 23.2103 47.3641 22.3952 -42.9914 18.1631 46.3674 18.9074 59.061 TIMING: 1512200 CPU: 4512.97, 0.00298329/step Wall: 4512.97, 0.00298329/step, 2.89031 hours remaining, 206.714844 MB of memory in use. ENERGY: 1512200 719.2975 2106.8980 1933.7091 110.3622 -205874.7415 17458.1136 0.0000 0.0000 34231.7511 -149314.6100 298.9544 -183546.3611 -149215.7906 299.5094 -258.7315 -228.2174 557736.4942 -1.5919 -1.4608 LDB: ============= START OF LOAD BALANCING ============== 4516.52 LDB: ============== END OF LOAD BALANCING =============== 4516.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4516.52 LDB: ============= START OF LOAD BALANCING ============== 4516.82 LDB: Largest compute 4773 load 0.028136 is 23.8% of average load 0.118228 LDB: Average compute 0.001743 is 1.5% of average load 0.118228 LDB: TIME 4516.82 LOAD: AVG 0.118228 MAX 0.209805 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 4516.82 LOAD: AVG 0.118228 MAX 0.209805 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.43 MB LDB: TIME 4516.82 LOAD: AVG 0.118228 MAX 0.209805 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.43 MB LDB: ============== END OF LOAD BALANCING =============== 4516.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4516.83 PRESSURE: 1512400 -78.6983 293.42 138.89 293.421 141.036 -36.6527 138.89 -36.6513 110.447 GPRESSURE: 1512400 -70.5813 197.69 78.1189 318.138 193.437 -60.3811 244.635 23.5802 136.801 PRESSAVG: 1512400 -41.0026 19.9013 14.97 19.9013 30.6342 45.1517 14.9701 45.1517 20.059 GPRESSAVG: 1512400 -41.7847 19.2867 13.5457 19.0597 30.9309 46.8412 15.6832 45.754 20.5769 TIMING: 1512400 CPU: 4513.58, 0.00305176/step Wall: 4513.58, 0.00305176/step, 2.95648 hours remaining, 209.023438 MB of memory in use. ENERGY: 1512400 741.6089 2072.9439 1938.6116 102.4211 -206236.7446 17916.9751 0.0000 0.0000 34200.0631 -149264.1209 298.6777 -183464.1840 -149172.1507 299.3106 57.5950 86.5525 555706.8940 3.2302 3.2410 PRESSURE: 1512600 22.4993 -109.342 87.2483 -109.34 -188.12 95.6117 87.2493 95.6114 31.8763 GPRESSURE: 1512600 38.0443 0.27469 158.386 -173.61 -150.03 67.7444 11.2045 24.3061 83.2719 PRESSAVG: 1512600 -73.4781 19.1634 20.7849 19.1635 -0.833155 44.3574 20.7849 44.3573 31.7909 GPRESSAVG: 1512600 -72.8481 18.7492 23.7972 20.4222 -2.19555 43.7162 20.422 45.4299 32.7914 TIMING: 1512600 CPU: 4514.18, 0.002995/step Wall: 4514.18, 0.002995/step, 2.90132 hours remaining, 209.023438 MB of memory in use. ENERGY: 1512600 739.3887 2092.4921 1920.9169 120.8475 -205792.1495 17542.5499 0.0000 0.0000 34159.5562 -149216.3982 298.3239 -183375.9544 -149124.3242 299.2256 -44.5814 -9.5711 557192.6548 -14.1735 -14.0841 PRESSURE: 1512800 -311.687 67.9282 -26.6478 67.9283 -28.7495 -2.63406 -26.6477 -2.63364 112.684 GPRESSURE: 1512800 -260.474 52.4308 -68.5587 100.966 24.9224 31.0207 -83.0758 10.4853 118.269 PRESSAVG: 1512800 15.1556 35.7917 67.842 35.7917 -37.3123 28.1657 67.8421 28.1659 24.0395 GPRESSAVG: 1512800 15.0856 35.9545 65.6726 34.6191 -35.6212 29.2438 68.7862 26.3638 22.8981 TIMING: 1512800 CPU: 4514.77, 0.00298587/step Wall: 4514.77, 0.00298587/step, 2.89231 hours remaining, 209.023438 MB of memory in use. ENERGY: 1512800 781.3891 2118.4550 1903.2637 123.0030 -205927.1227 17678.0439 0.0000 0.0000 34274.0341 -149048.9339 299.3237 -183322.9680 -148953.2484 299.2402 -75.9175 -39.0942 556234.5203 0.6276 0.7875 PRESSURE: 1513000 164.129 96.2513 40.5889 96.2517 42.9651 -45.8192 40.5888 -45.8189 -83.3812 GPRESSURE: 1513000 137.608 99.4662 -45.5743 104.456 108.997 -30.9933 40.8908 -12.5955 -36.5277 PRESSAVG: 1513000 -30.1369 14.3324 12.251 14.3325 26.8657 -38.6376 12.2511 -38.6376 -8.89084 GPRESSAVG: 1513000 -29.905 14.0012 13.6274 14.1238 26.2338 -39.2647 10.3806 -37.8125 -8.40269 TIMING: 1513000 CPU: 4515.37, 0.00300115/step Wall: 4515.37, 0.00300115/step, 2.90695 hours remaining, 209.023438 MB of memory in use. ENERGY: 1513000 733.3711 2068.7945 1913.6498 121.7700 -205990.0581 17674.4395 0.0000 0.0000 34373.1405 -149104.8926 300.1892 -183478.0331 -149007.8116 299.6742 41.2377 70.0255 557200.8095 -4.0540 -4.0246 PRESSURE: 1513200 212.49 244.581 -61.1487 244.58 -125.841 -98.9764 -61.147 -98.9763 185.029 GPRESSURE: 1513200 197.223 279.146 -147.588 118.983 -103.709 -86.5621 -2.67649 -69.1443 285.56 PRESSAVG: 1513200 -16.6897 10.6041 19.721 10.604 27.3313 -48.6307 19.721 -48.6307 37.3015 GPRESSAVG: 1513200 -17.0149 11.7409 19.9152 10.7257 27.6443 -51.211 19.7934 -47.0344 37.2436 TIMING: 1513200 CPU: 4515.97, 0.00298551/step Wall: 4515.97, 0.00298551/step, 2.89163 hours remaining, 209.023438 MB of memory in use. ENERGY: 1513200 716.8352 2066.7868 1941.0188 103.1313 -206120.3250 17851.3821 0.0000 0.0000 34443.7890 -148997.3819 300.8062 -183441.1709 -148894.8972 299.9466 90.5593 126.3582 556293.6621 15.9810 15.9577 PRESSURE: 1513400 51.4836 -50.8117 77.0216 -50.8116 -34.1434 -47.4132 77.0208 -47.4135 11.2588 GPRESSURE: 1513400 127.215 18.3327 191.372 -105.739 -37.8415 15.5697 4.82302 -143.317 26.7654 PRESSAVG: 1513400 13.5258 50.686 46.0523 50.6861 -75.3565 20.8845 46.0523 20.8844 29.6087 GPRESSAVG: 1513400 13.3528 51.8488 43.9363 50.289 -74.3476 22.3061 45.3046 19.4297 28.5406 TIMING: 1513400 CPU: 4516.56, 0.00296245/step Wall: 4516.56, 0.00296245/step, 2.86914 hours remaining, 209.023438 MB of memory in use. ENERGY: 1513400 719.5313 2081.3286 1889.3841 116.1119 -206010.5290 17773.6604 0.0000 0.0000 34389.6673 -149040.8453 300.3335 -183430.5126 -148947.5739 299.6483 9.5330 38.7129 557799.4373 -10.7407 -10.8181 PRESSURE: 1513600 -248.472 -36.5092 24.8727 -36.5085 -76.1971 13.9677 24.8735 13.9681 -126.974 GPRESSURE: 1513600 -220.906 -125.44 80.357 -35.8885 -40.367 38.1705 17.6894 -29.5055 -83.0633 PRESSAVG: 1513600 31.3379 -15.3835 -9.85207 -15.3836 21.8565 -19.6531 -9.85213 -19.6532 -12.1771 GPRESSAVG: 1513600 31.9309 -16.3825 -6.425 -14.4074 21.0961 -20.4976 -9.16212 -16.8016 -12.1404 TIMING: 1513600 CPU: 4517.16, 0.00297183/step Wall: 4517.16, 0.00297183/step, 2.87805 hours remaining, 209.023438 MB of memory in use. ENERGY: 1513600 717.0631 2112.4267 1911.0799 102.2199 -205970.5818 17616.9033 0.0000 0.0000 34336.6909 -149174.1980 299.8709 -183510.8889 -149069.9909 299.2669 -150.5476 -114.7789 558167.9961 13.6724 13.6288 PRESSURE: 1513800 0.400944 109.892 58.8441 109.893 -75.2284 26.9236 58.8447 26.9232 5.71088 GPRESSURE: 1513800 38.5372 81.8555 -1.83431 195.623 -87.1236 -15.6338 92.8493 108.63 83.8935 PRESSAVG: 1513800 -30.39 -17.7554 0.271507 -17.7555 33.2773 -12.9563 0.271537 -12.9563 -12.8657 GPRESSAVG: 1513800 -31.8141 -20.6809 0.365771 -18.4939 33.9914 -13.2216 0.0121746 -13.7126 -12.5751 TIMING: 1513800 CPU: 4517.76, 0.00298561/step Wall: 4517.76, 0.00298561/step, 2.89123 hours remaining, 209.023438 MB of memory in use. ENERGY: 1513800 738.0534 2127.3817 1912.7001 116.2751 -206339.0321 17916.5110 0.0000 0.0000 34303.5601 -149224.5506 299.5815 -183528.1107 -149133.1708 299.0920 -23.0389 11.7690 557819.5149 -3.3261 -3.4659 PRESSURE: 1514000 253.735 -190.245 -124.753 -190.245 -117.338 -60.0375 -124.753 -60.0387 308.737 GPRESSURE: 1514000 271.74 -138.305 -9.89085 -236.931 -99.347 -77.9918 -178.243 -46.0784 370.129 PRESSAVG: 1514000 7.46544 13.2195 6.82761 13.2195 18.2681 34.1243 6.82762 34.1244 3.11586 GPRESSAVG: 1514000 7.70342 15.4995 4.61707 15.112 16.5927 36.8555 9.74552 32.9142 3.52648 TIMING: 1514000 CPU: 4518.35, 0.00297053/step Wall: 4518.35, 0.00297053/step, 2.87646 hours remaining, 209.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1514000 769.9518 2044.9472 1939.8620 109.7380 -206237.4084 18077.6665 0.0000 0.0000 34240.2792 -149054.9638 299.0289 -183295.2430 -148964.7302 299.6260 148.3780 180.8408 558221.3027 9.6165 9.2742 PRESSURE: 1514200 -107.136 33.5787 28.0524 33.579 -163.41 42.0471 28.0527 42.0458 8.20358 GPRESSURE: 1514200 -96.3988 85.6602 28.4139 33.9218 -158.186 83.3581 63.0952 25.7742 94.7836 PRESSAVG: 1514200 -54.6611 17.2523 37.1159 17.2524 -44.0381 12.0543 37.116 12.0544 40.0471 GPRESSAVG: 1514200 -55.1868 16.5798 38.2399 15.9472 -43.4678 11.1191 36.2977 9.54379 39.8127 TIMING: 1514200 CPU: 4518.95, 0.00298179/step Wall: 4518.95, 0.00298179/step, 2.8872 hours remaining, 209.023438 MB of memory in use. ENERGY: 1514200 777.3880 2116.1340 1895.5736 105.1808 -206068.4137 17897.2355 0.0000 0.0000 34202.6326 -149074.2692 298.7001 -183276.9018 -148988.1685 300.0615 -87.4473 -53.2671 558898.9825 -19.5507 -19.6140 PRESSURE: 1514400 35.144 51.7794 122.912 51.779 23.7501 80.1884 122.911 80.1892 29.6191 GPRESSURE: 1514400 92.1032 24.1372 23.8918 109.272 34.6325 43.6266 204.292 49.1909 47.1545 PRESSAVG: 1514400 11.4476 5.6227 26.0608 5.62276 -38.7939 53.5024 26.0606 53.5025 52.0802 GPRESSAVG: 1514400 12.3496 4.05857 25.1689 7.0834 -39.9232 53.9204 25.0562 53.5689 52.079 TIMING: 1514400 CPU: 4519.54, 0.00297575/step Wall: 4519.54, 0.00297575/step, 2.88119 hours remaining, 209.085938 MB of memory in use. ENERGY: 1514400 751.9295 2111.1730 1942.9840 116.0947 -206048.4038 17815.9546 0.0000 0.0000 34186.2856 -149123.9823 298.5573 -183310.2679 -149036.3560 299.3808 29.5044 57.9634 557191.0194 8.2447 8.1685 PRESSURE: 1514600 -90.1902 109.878 -26.5645 109.879 -213.387 -56.7654 -26.5657 -56.767 -31.2584 GPRESSURE: 1514600 -85.9186 155.007 15.9345 54.8623 -147.851 61.4196 -41.2138 -95.1486 -10.3019 PRESSAVG: 1514600 6.17156 45.2399 42.1091 45.24 -48.6233 55.3351 42.109 55.3351 68.0641 GPRESSAVG: 1514600 5.17443 45.195 42.1007 45.4418 -47.1097 53.9592 40.4141 56.938 67.6149 TIMING: 1514600 CPU: 4520.14, 0.00297144/step Wall: 4520.14, 0.00297144/step, 2.87684 hours remaining, 209.085938 MB of memory in use. ENERGY: 1514600 735.8942 2062.3278 1918.5338 122.0741 -206041.3734 17636.0740 0.0000 0.0000 34530.7622 -149035.7073 301.5657 -183566.4695 -148941.4689 299.5425 -111.6120 -81.3572 557281.0238 8.5374 8.5599 PRESSURE: 1514800 -144.055 -86.9547 160.034 -86.9549 -71.4338 176.065 160.034 176.065 -34.6692 GPRESSURE: 1514800 -53.2957 -38.3245 168.708 -174.295 9.00781 116.15 116.54 184.069 -104.507 PRESSAVG: 1514800 -37.3273 3.26502 46.4708 3.26501 54.2439 11.7116 46.4708 11.7117 -2.70542 GPRESSAVG: 1514800 -36.4971 4.33858 45.3471 1.13131 53.9968 13.7745 49.8775 9.60638 -3.45469 TIMING: 1514800 CPU: 4520.73, 0.00296252/step Wall: 4520.73, 0.00296252/step, 2.86804 hours remaining, 209.085938 MB of memory in use. ENERGY: 1514800 730.7517 2060.4060 1928.8514 116.9766 -205880.5687 17667.4686 0.0000 0.0000 34333.9025 -149042.2118 299.8465 -183376.1143 -148940.0954 299.9292 -83.3862 -49.5983 556219.6020 4.7371 4.6817 PRESSURE: 1515000 -281.399 -218.667 -116.907 -218.667 -237.797 19.3808 -116.907 19.3818 -249.777 GPRESSURE: 1515000 -235.959 -151.026 -41.1356 -174.355 -251.166 71.9549 -136.662 11.9292 -173.21 PRESSAVG: 1515000 22.3963 -54.0478 44.6111 -54.0478 41.6462 4.74553 44.6112 4.74556 -55.256 GPRESSAVG: 1515000 20.1733 -54.0896 45.5233 -53.1775 42.0511 3.00869 44.1275 7.91415 -53.5413 TIMING: 1515000 CPU: 4521.33, 0.00302064/step Wall: 4521.33, 0.00302064/step, 2.92415 hours remaining, 209.085938 MB of memory in use. ENERGY: 1515000 721.4799 2031.8325 1920.0099 112.6458 -205412.3252 17261.2543 0.0000 0.0000 34193.7712 -149171.3316 298.6227 -183365.1028 -149075.2423 299.3918 -256.3241 -220.1116 557113.5539 2.9288 2.8943 PRESSURE: 1515200 -283.951 -17.8702 -0.796375 -17.8707 70.2255 -115.795 -0.795411 -115.795 89.0605 GPRESSURE: 1515200 -262.205 36.6232 -37.6801 -109.96 121.87 -76.3629 8.39981 -160.301 113.031 PRESSAVG: 1515200 -30.4981 -49.7554 -44.3286 -49.7554 32.7596 44.38 -44.3287 44.3802 -6.56943 GPRESSAVG: 1515200 -28.8074 -48.935 -44.3241 -50.3664 31.355 46.2424 -46.0648 43.0068 -6.87682 TIMING: 1515200 CPU: 4521.93, 0.00298903/step Wall: 4521.93, 0.00298903/step, 2.89338 hours remaining, 209.085938 MB of memory in use. ENERGY: 1515200 706.8649 2051.8497 1918.9676 116.6331 -205974.7812 17570.0831 0.0000 0.0000 34251.4104 -149358.9723 299.1261 -183610.3827 -149259.4893 299.0817 -41.5548 -9.1014 556625.6566 -1.4360 -1.4431 PRESSURE: 1515400 -23.1346 230.755 -155.13 230.757 -158.294 10.9716 -155.128 10.9714 -158.774 GPRESSURE: 1515400 8.91272 148.507 -142.92 161.696 -58.3706 28.8905 -93.0669 -62.1908 -193.101 PRESSAVG: 1515400 -24.2096 -12.3698 -11.5009 -12.3698 37.7933 30.7618 -11.5009 30.7618 -11.6059 GPRESSAVG: 1515400 -24.0069 -10.6158 -8.77248 -13.0014 37.62 28.3209 -12.0162 31.475 -11.1207 TIMING: 1515400 CPU: 4522.54, 0.00303027/step Wall: 4522.54, 0.00303027/step, 2.93313 hours remaining, 209.085938 MB of memory in use. ENERGY: 1515400 726.5144 2089.3998 1915.5844 110.8269 -206395.8439 17829.4641 0.0000 0.0000 34240.7160 -149483.3382 299.0327 -183724.0543 -149395.8339 298.6312 -113.4010 -80.8530 558962.1796 0.6593 0.8308 PRESSURE: 1515600 31.6122 78.6806 59.8026 78.6818 -234.165 32.7316 59.8033 32.7306 174.352 GPRESSURE: 1515600 41.5714 141.413 39.5614 111.088 -222.185 -20.1578 95.6923 0.00986468 256.822 PRESSAVG: 1515600 -24.2441 34.143 19.5041 34.143 68.433 38.0233 19.5039 38.0232 -51.3678 GPRESSAVG: 1515600 -23.5539 31.6892 18.1816 34.9722 69.5837 38.2119 21.6365 37.1328 -53.2003 TIMING: 1515600 CPU: 4523.14, 0.0030075/step Wall: 4523.14, 0.0030075/step, 2.91092 hours remaining, 209.085938 MB of memory in use. ENERGY: 1515600 710.5320 2020.3599 1925.3286 114.4652 -206181.6255 17808.0931 0.0000 0.0000 34305.8237 -149297.0232 299.6013 -183602.8468 -149200.3789 298.3956 -9.4002 25.4029 558159.5620 -2.3930 -2.3902 PRESSURE: 1515800 -35.2361 -51.6552 -127.276 -51.6547 -197.295 217.73 -127.277 217.73 -116.953 GPRESSURE: 1515800 64.7824 -64.5101 -114.379 -80.7037 -173.421 175.463 -182.099 198.383 -143.227 PRESSAVG: 1515800 44.94 -9.14608 14.7007 -9.14617 -95.4921 40.4156 14.7007 40.4157 39.692 GPRESSAVG: 1515800 44.894 -7.61637 13.8134 -10.9829 -97.0441 40.9795 15.0255 42.0017 40.479 TIMING: 1515800 CPU: 4523.74, 0.00302174/step Wall: 4523.74, 0.00302174/step, 2.92454 hours remaining, 209.085938 MB of memory in use. ENERGY: 1515800 715.0854 2042.4487 1907.8177 115.6853 -205938.8047 17595.4208 0.0000 0.0000 34178.9888 -149383.3579 298.4936 -183562.3468 -149281.6017 298.7550 -116.4946 -83.9552 558185.2097 -3.6200 -3.8904 PRESSURE: 1516000 -92.6533 -54.58 47.3821 -54.5821 10.7347 -86.5584 47.3814 -86.5571 92.6338 GPRESSURE: 1516000 -39.9063 -47.5806 3.24931 11.6341 45.733 -23.2815 127.492 -118.972 95.4621 PRESSAVG: 1516000 25.7816 22.463 46.5429 22.463 30.0065 11.8917 46.5429 11.8916 -35.8387 GPRESSAVG: 1516000 24.4475 21.6937 45.8279 25.088 31.0222 12.4763 48.2219 10.7715 -35.5559 TIMING: 1516000 CPU: 4524.34, 0.00299918/step Wall: 4524.34, 0.00299918/step, 2.90254 hours remaining, 209.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1516000 753.4230 2041.6578 1922.8236 111.8672 -206301.7057 17863.8427 0.0000 0.0000 34324.4855 -149283.6059 299.7643 -183608.0914 -149191.7094 299.0207 3.5718 33.7629 556507.0657 6.6498 6.6380 PRESSURE: 1516200 50.4815 2.82838 130.375 2.82915 52.9793 204.009 130.376 204.012 -222.906 GPRESSURE: 1516200 101.317 -14.5201 105.784 93.267 71.3365 93.5708 76.3579 157.53 -194.325 PRESSAVG: 1516200 -111.413 32.2986 67.2716 32.2986 44.3952 11.297 67.2716 11.2971 83.6401 GPRESSAVG: 1516200 -111.16 31.1026 68.3042 32.7853 44.3154 12.4073 66.0312 10.5152 83.654 TIMING: 1516200 CPU: 4524.94, 0.00300159/step Wall: 4524.94, 0.00300159/step, 2.90471 hours remaining, 209.085938 MB of memory in use. ENERGY: 1516200 704.3509 2134.0774 1941.6198 102.2328 -206036.6453 17671.1378 0.0000 0.0000 34048.1603 -149435.0662 297.3511 -183483.2266 -149335.6785 299.1753 -39.8150 -7.2239 557318.8316 5.5409 5.6032 LDB: ============= START OF LOAD BALANCING ============== 4528.49 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4528.49 LDB: =============== DONE WITH MIGRATION ================ 4528.49 LDB: ============= START OF LOAD BALANCING ============== 4528.79 LDB: Largest compute 4773 load 0.027389 is 23.2% of average load 0.118212 LDB: Average compute 0.001743 is 1.5% of average load 0.118212 LDB: TIME 4528.8 LOAD: AVG 0.118212 MAX 0.212201 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.277 MB LDB: TIME 4528.8 LOAD: AVG 0.118212 MAX 0.212201 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.281 MB LDB: TIME 4528.8 LOAD: AVG 0.118212 MAX 0.212201 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.281 MB LDB: ============== END OF LOAD BALANCING =============== 4528.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4528.8 PRESSURE: 1516400 2.65853 56.571 43.0492 56.5714 -73.5005 -59.3096 43.048 -59.3088 15.0205 GPRESSURE: 1516400 -0.832838 131.14 -40.5876 63.3374 17.6246 -1.37328 66.2855 11.0594 38.0755 PRESSAVG: 1516400 -1.74958 35.9419 50.1734 35.9419 27.1595 15.5744 50.1734 15.5745 3.92052 GPRESSAVG: 1516400 -2.10821 37.3764 50.4655 34.4059 27.1867 13.7729 50.0691 17.3394 3.86113 TIMING: 1516400 CPU: 4525.55, 0.00305876/step Wall: 4525.55, 0.00305876/step, 2.95986 hours remaining, 207.429688 MB of memory in use. ENERGY: 1516400 747.0449 2098.8704 1909.2089 116.3269 -205879.6199 17577.8528 0.0000 0.0000 34075.0547 -149355.2613 297.5859 -183430.3160 -149261.6402 298.7292 -18.6072 18.2891 556879.8589 9.7768 9.6466 PRESSURE: 1516600 -138.036 -12.9269 142.743 -12.9264 -78.2023 -282.385 142.743 -282.386 -117.438 GPRESSURE: 1516600 -119.28 -73.4437 101.751 -36.9655 -13.999 -131.991 48.0391 -259.202 -99.4174 PRESSAVG: 1516600 -34.3318 35.1041 16.7245 35.1041 4.1044 -6.07891 16.7246 -6.07877 28.928 GPRESSAVG: 1516600 -34.702 37.3304 15.1769 34.0528 5.2171 -4.25773 17.4871 -6.66014 28.3271 TIMING: 1516600 CPU: 4526.16, 0.0030128/step Wall: 4526.16, 0.0030128/step, 2.91522 hours remaining, 207.429688 MB of memory in use. ENERGY: 1516600 747.5636 2103.7850 1915.4006 108.1166 -206253.5843 17682.3103 0.0000 0.0000 34496.3521 -149200.0560 301.2652 -183696.4081 -149099.3816 299.2571 -111.2256 -77.5656 557167.9463 -0.4331 -0.3859 PRESSURE: 1516800 -159.088 262.579 -9.80656 262.58 -132.161 -188.584 -9.80692 -188.584 42.247 GPRESSURE: 1516800 -144.488 239.637 11.3865 177.069 -103.379 -176.229 9.59223 -195.552 98.9175 PRESSAVG: 1516800 18.5501 -2.57637 27.3125 -2.5764 -34.7521 -29.2705 27.3125 -29.2706 12.8327 GPRESSAVG: 1516800 19.4798 -6.23791 30.7239 -0.240847 -36.5132 -31.9085 24.3642 -30.0699 13.5693 TIMING: 1516800 CPU: 4526.76, 0.00302209/step Wall: 4526.76, 0.00302209/step, 2.92404 hours remaining, 207.429688 MB of memory in use. ENERGY: 1516800 732.3563 2040.6521 1915.5513 124.4591 -205833.5522 17479.4590 0.0000 0.0000 34268.0064 -149273.0680 299.2710 -183541.0745 -149185.2797 299.5706 -83.0004 -49.6501 557483.8566 -1.1231 -1.1547 PRESSURE: 1517000 -103.825 209.616 -126.954 209.616 148.074 23.7088 -126.955 23.7082 127.403 GPRESSURE: 1517000 -96.9026 178.272 -104.461 219.653 230.347 -10.1608 -135.385 43.6732 130.379 PRESSAVG: 1517000 -9.28518 11.0546 7.7545 11.0546 -10.1031 60.6037 7.75446 60.6036 -8.26537 GPRESSAVG: 1517000 -10.4933 12.3842 6.84841 10.0926 -9.77927 58.6473 9.02605 62.1085 -7.85433 TIMING: 1517000 CPU: 4527.36, 0.00302079/step Wall: 4527.36, 0.00302079/step, 2.92261 hours remaining, 207.429688 MB of memory in use. ENERGY: 1517000 761.4458 2080.0343 1923.8146 100.3854 -206104.8559 17950.1660 0.0000 0.0000 34064.6075 -149224.4022 297.4947 -183289.0097 -149133.6668 299.1895 57.2176 87.9412 558253.4782 -9.2179 -9.3756 PRESSURE: 1517200 -141.885 -162.022 29.7161 -162.023 -345.128 -14.0078 29.7166 -14.0084 -384.844 GPRESSURE: 1517200 -115.698 -170.732 -1.11791 -234.133 -256.765 21.4544 -61.1296 42.073 -400.266 PRESSAVG: 1517200 -56.3017 -19.2618 -49.4547 -19.2618 -0.497764 41.6131 -49.4548 41.613 -4.69011 GPRESSAVG: 1517200 -56.4258 -17.5886 -51.3309 -21.1754 0.248581 45.3425 -50.0121 38.3674 -5.19478 TIMING: 1517200 CPU: 4527.97, 0.00302986/step Wall: 4527.97, 0.00302986/step, 2.93122 hours remaining, 207.429688 MB of memory in use. ENERGY: 1517200 766.3680 2080.4088 1954.6762 118.5348 -205574.7959 17332.0972 0.0000 0.0000 34264.4215 -149058.2894 299.2397 -183322.7109 -148968.6764 299.3770 -290.6192 -257.5763 559506.0980 -20.4965 -20.4573 PRESSURE: 1517400 173.055 -117.664 100.077 -117.662 -298.588 -83.9481 100.076 -83.9494 83.8405 GPRESSURE: 1517400 140.548 -124.32 105.825 -95.6201 -248.655 14.5789 89.6435 -117.191 168.143 PRESSAVG: 1517400 -30.1979 30.6568 30.9547 30.6568 44.1155 -46.0735 30.9547 -46.0735 -12.1821 GPRESSAVG: 1517400 -29.8625 27.3951 32.7742 33.3437 43.6119 -47.4736 32.3814 -45.4093 -11.8889 TIMING: 1517400 CPU: 4528.57, 0.00301525/step Wall: 4528.57, 0.00301525/step, 2.91692 hours remaining, 207.429688 MB of memory in use. ENERGY: 1517400 764.4054 2124.0882 1921.8442 104.8132 -206142.4288 17941.8821 0.0000 0.0000 34309.1477 -148976.2479 299.6303 -183285.3956 -148887.5923 299.5978 -13.8975 20.0123 558012.1057 0.5785 0.6202 PRESSURE: 1517600 -88.9012 -27.2397 -84.0626 -27.2399 108.607 19.7888 -84.0626 19.7874 119.482 GPRESSURE: 1517600 32.898 -30.8715 -101.35 115.041 135.274 17.4427 -42.1678 -20.7053 83.1117 PRESSAVG: 1517600 3.01063 2.76096 12.1059 2.76107 -29.7746 -14.4573 12.106 -14.4573 26.9134 GPRESSAVG: 1517600 3.85008 3.92475 12.1973 2.52174 -30.3682 -15.033 9.47412 -14.7585 27.0347 TIMING: 1517600 CPU: 4529.17, 0.00300509/step Wall: 4529.17, 0.00300509/step, 2.90692 hours remaining, 207.429688 MB of memory in use. ENERGY: 1517600 749.6209 2047.2719 1954.3844 107.2616 -206400.3134 17847.0087 0.0000 0.0000 34321.4753 -149373.2906 299.7380 -183694.7658 -149275.9556 299.8651 46.3960 83.7612 557047.8145 0.0498 0.1722 PRESSURE: 1517800 33.9532 -116.167 55.6978 -116.167 -224.268 -71.7207 55.6971 -71.7211 121.153 GPRESSURE: 1517800 27.137 -48.293 125.471 -263.508 -133.846 -61.5799 53.1373 -72.5366 147.24 PRESSAVG: 1517800 94.447 -54.0634 48.5911 -54.0634 -16.727 30.3807 48.5909 30.3807 -68.0604 GPRESSAVG: 1517800 94.8095 -54.2779 49.6735 -54.6382 -15.1937 31.0673 49.3086 29.9638 -69.4062 TIMING: 1517800 CPU: 4529.78, 0.00302417/step Wall: 4529.78, 0.00302417/step, 2.92521 hours remaining, 207.429688 MB of memory in use. ENERGY: 1517800 759.8157 2082.0339 1927.2168 110.2994 -206237.1048 17653.9076 0.0000 0.0000 34482.2940 -149221.5374 301.1424 -183703.8314 -149129.6277 299.1310 -23.0541 13.5103 555414.7589 3.2199 3.4032 PRESSURE: 1518000 52.4762 4.27937 -24.8461 4.27914 -107.037 -135.582 -24.8465 -135.583 -173.948 GPRESSURE: 1518000 137.179 59.5475 19.7632 -33.2381 -124.805 -173.729 -41.0191 -128.975 -140.376 PRESSAVG: 1518000 82.5733 -31.8727 -5.98897 -31.8726 -80.8451 -31.6615 -5.98894 -31.6614 18.6277 GPRESSAVG: 1518000 81.9542 -32.3176 -7.23505 -32.4843 -82.0196 -28.664 -4.41349 -32.3784 20.2385 TIMING: 1518000 CPU: 4530.38, 0.0029868/step Wall: 4530.38, 0.0029868/step, 2.8889 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1518000 668.8812 2109.3976 1919.3918 116.4015 -206122.7430 17621.5332 0.0000 0.0000 34305.8403 -149381.2973 299.6014 -183687.1376 -149278.8087 299.2857 -76.1696 -42.6673 557257.7327 6.7853 6.7244 PRESSURE: 1518200 75.1835 -81.8221 -154.291 -81.8209 33.5314 109.676 -154.291 109.675 67.4598 GPRESSURE: 1518200 97.595 -143.769 -219.1 -101.093 78.1929 21.5208 -183.56 89.6608 83.8296 PRESSAVG: 1518200 34.6217 -55.9485 -4.59393 -55.9485 28.4897 45.4731 -4.59399 45.4732 2.77438 GPRESSAVG: 1518200 32.6659 -56.214 -3.79536 -55.5874 29.8665 42.5397 -4.56986 48.2418 3.58365 TIMING: 1518200 CPU: 4530.97, 0.00298971/step Wall: 4530.97, 0.00298971/step, 2.89155 hours remaining, 207.429688 MB of memory in use. ENERGY: 1518200 696.0308 2041.0122 1922.4943 123.7651 -206175.7042 17830.2404 0.0000 0.0000 34099.4958 -149462.6655 297.7994 -183562.1613 -149361.7646 298.7350 58.7249 86.5392 556124.0786 21.9619 22.0387 PRESSURE: 1518400 -55.5608 -31.0368 -241.441 -31.0364 123.943 -142.079 -241.442 -142.08 -140.114 GPRESSURE: 1518400 -67.8212 -17.5438 -202.528 -96.2596 165.649 -76.736 -243.821 -149.981 -80.3683 PRESSAVG: 1518400 -38.009 -48.385 -51.4682 -48.3848 18.5386 -18.3344 -51.4683 -18.3343 2.07211 GPRESSAVG: 1518400 -36.2362 -48.7542 -53.1853 -47.6272 18.7471 -19.4089 -49.1985 -19.5943 0.546728 TIMING: 1518400 CPU: 4531.57, 0.00299956/step Wall: 4531.57, 0.00299956/step, 2.9009 hours remaining, 207.429688 MB of memory in use. ENERGY: 1518400 759.2047 2121.7163 1923.6358 114.0864 -206203.6847 17707.8292 0.0000 0.0000 34147.2415 -149429.9707 298.2164 -183577.2122 -149333.4851 298.2315 -23.9107 5.8198 557868.7237 -5.7994 -5.6475 PRESSURE: 1518600 33.0991 -16.9346 78.9575 -16.9346 -331.053 -68.9434 78.9586 -68.9429 -352.494 GPRESSURE: 1518600 91.4736 32.6117 16.8398 -65.7208 -317.314 -123.597 157.859 -6.74312 -324.591 PRESSAVG: 1518600 -29.1455 38.275 -26.3534 38.2749 64.6028 -55.3577 -26.3534 -55.3576 -28.1124 GPRESSAVG: 1518600 -28.1795 38.9094 -25.1774 35.4964 63.219 -55.7409 -27.4367 -55.9684 -27.494 TIMING: 1518600 CPU: 4532.18, 0.00301145/step Wall: 4532.18, 0.00301145/step, 2.91224 hours remaining, 207.429688 MB of memory in use. ENERGY: 1518600 722.8477 2073.5854 1922.9995 103.7081 -206001.5221 17456.5757 0.0000 0.0000 34322.7774 -149399.0284 299.7494 -183721.8058 -149300.6735 299.1248 -216.8158 -183.4773 558700.6322 2.4483 2.5152 PRESSURE: 1518800 -174.513 176.859 25.1547 176.861 -194.948 -80.1015 25.1563 -80.1016 -21.8392 GPRESSURE: 1518800 -130.774 210.341 60.8266 113.321 -146.248 -111.288 32.5906 -96.0419 -15.9265 PRESSAVG: 1518800 -61.0275 7.62096 50.9165 7.62101 59.0178 -51.3211 50.9165 -51.3212 22.8902 GPRESSAVG: 1518800 -60.8441 6.80666 51.4669 10.4777 59.1535 -49.5872 48.2179 -52.2405 22.6791 TIMING: 1518800 CPU: 4532.77, 0.00298635/step Wall: 4532.77, 0.00298635/step, 2.8878 hours remaining, 207.429688 MB of memory in use. ENERGY: 1518800 749.5108 2057.3825 1914.0782 100.0704 -206476.0805 17798.7731 0.0000 0.0000 34407.4886 -149448.7771 300.4892 -183856.2656 -149357.5674 298.4967 -130.4336 -97.6497 557558.0502 6.9601 6.9961 PRESSURE: 1519000 -284.299 31.5783 -72.6256 31.5789 48.3098 -46.6452 -72.6257 -46.6445 37.1563 GPRESSURE: 1519000 -191.666 28.2161 -98.2732 -1.84448 16.9449 -6.98808 -11.5406 -20.4327 74.8453 PRESSAVG: 1519000 -38.4435 21.1698 -27.9343 21.1698 50.6213 9.05378 -27.9343 9.05368 -10.6581 GPRESSAVG: 1519000 -39.0107 21.4179 -27.0325 20.5619 50.6041 7.46988 -27.6712 12.5223 -10.0095 TIMING: 1519000 CPU: 4533.38, 0.00301453/step Wall: 4533.38, 0.00301453/step, 2.91488 hours remaining, 207.429688 MB of memory in use. ENERGY: 1519000 762.2555 2064.6259 1921.3141 106.0959 -206097.7895 17664.4857 0.0000 0.0000 34123.4113 -149455.6010 298.0082 -183579.0123 -149355.8974 298.5255 -66.2776 -33.2920 557885.9828 0.5065 0.5280 PRESSURE: 1519200 -143.484 -70.4432 -59.9906 -70.4433 -100.654 -10.6668 -59.9875 -10.6663 65.3302 GPRESSURE: 1519200 -126.453 -86.7363 -102.068 -61.2219 -4.05092 -117.99 -99.3501 44.0039 57.5849 PRESSAVG: 1519200 -5.51983 -4.15156 -54.0924 -4.15163 -33.549 -52.684 -54.0924 -52.6838 36.0778 GPRESSAVG: 1519200 -4.63134 -4.64717 -56.5105 -2.95076 -33.4671 -52.2608 -52.8049 -55.1697 35.2054 TIMING: 1519200 CPU: 4533.98, 0.00299298/step Wall: 4533.98, 0.00299298/step, 2.89388 hours remaining, 207.429688 MB of memory in use. ENERGY: 1519200 771.2137 2075.9412 1924.8530 118.1949 -205837.9774 17574.7512 0.0000 0.0000 34064.3092 -149308.7143 297.4921 -183373.0234 -149223.6482 298.4028 -59.6025 -24.3064 557299.8008 -0.9970 -0.9643 PRESSURE: 1519400 18.583 -30.0061 -1.90429 -30.0065 -136.12 171.559 -1.90436 171.558 31.5431 GPRESSURE: 1519400 76.5784 -114.642 -14.2556 -7.84909 -125.623 188.208 57.7975 192.372 74.4747 PRESSAVG: 1519400 14.5456 52.2713 -32.8227 52.2712 -56.8978 28.3453 -32.8227 28.3453 12.3276 GPRESSAVG: 1519400 14.0063 53.5406 -32.3981 51.1935 -56.6869 28.6677 -32.8154 29.5735 12.7661 TIMING: 1519400 CPU: 4534.57, 0.0029904/step Wall: 4534.57, 0.0029904/step, 2.89122 hours remaining, 207.429688 MB of memory in use. ENERGY: 1519400 775.2822 2107.2195 1938.1768 110.4679 -206419.8269 17935.3619 0.0000 0.0000 34285.5398 -149267.7788 299.4241 -183553.3187 -149173.8451 299.0826 -28.6646 8.4768 557948.0365 -10.0082 -9.9715 PRESSURE: 1519600 -75.4698 121.403 56.9176 121.403 -194.076 127.44 56.9181 127.439 155.348 GPRESSURE: 1519600 5.96039 77.3144 -40.9379 87.2293 -176.269 168.854 41.8184 133.427 144.862 PRESSAVG: 1519600 50.084 8.33883 32.1864 8.33888 5.83878 -6.83514 32.1863 -6.8351 -11.1023 GPRESSAVG: 1519600 49.307 7.17637 29.1336 7.89603 7.13897 -6.27453 31.3395 -5.7815 -11.4335 TIMING: 1519600 CPU: 4535.17, 0.002982/step Wall: 4535.17, 0.002982/step, 2.88293 hours remaining, 207.429688 MB of memory in use. ENERGY: 1519600 768.0479 2064.7796 1939.7156 108.2702 -206218.3440 17699.8254 0.0000 0.0000 34248.6554 -149389.0499 299.1020 -183637.7053 -149292.1054 299.2075 -38.0660 -8.4820 556080.8435 14.9402 15.0041 PRESSURE: 1519800 -146.629 -51.2835 -15.5245 -51.2841 -144.005 -95.5238 -15.5244 -95.5226 -71.9117 GPRESSURE: 1519800 -99.1536 20.758 -0.416442 -99.8017 -85.2037 -154.518 -17.0256 -24.2469 -76.2609 PRESSAVG: 1519800 -67.2117 -0.0713441 -17.8617 -0.0713665 -16.0216 -42.9176 -17.8617 -42.9177 52.7132 GPRESSAVG: 1519800 -66.6225 2.21048 -15.1385 -0.121226 -16.3477 -44.0608 -18.7303 -43.8146 52.2358 TIMING: 1519800 CPU: 4535.77, 0.0029969/step Wall: 4535.77, 0.0029969/step, 2.89717 hours remaining, 207.429688 MB of memory in use. ENERGY: 1519800 777.9058 2116.1759 1937.1271 114.1922 -205945.4417 17559.4212 0.0000 0.0000 34160.6108 -149280.0087 298.3331 -183440.6195 -149186.9298 299.1787 -120.8486 -86.8728 556254.4602 -10.1733 -10.2448 PRESSURE: 1520000 70.9709 -1.57168 1.12647 -1.57035 23.2239 -130.401 1.12653 -130.4 -39.8465 GPRESSURE: 1520000 90.1057 10.3799 38.3843 29.5328 55.1016 -164.102 -100.605 -94.0211 -2.95823 PRESSAVG: 1520000 62.2811 -19.6153 -28.7429 -19.6154 -45.0431 -11.735 -28.7429 -11.7349 2.61176 GPRESSAVG: 1520000 62.087 -20.846 -27.4974 -19.0756 -45.4618 -11.6574 -29.6327 -11.4197 3.24858 TIMING: 1520000 CPU: 4536.37, 0.00297741/step Wall: 4536.37, 0.00297741/step, 2.87816 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1520000 728.5427 2044.2022 1930.4182 120.3721 -206093.7671 17654.1063 0.0000 0.0000 34136.2069 -149479.9187 298.1200 -183616.1255 -149381.3997 299.3018 18.1161 47.4163 556534.0282 6.6166 6.6246 PRESSURE: 1520200 30.0567 -51.4522 -6.77735 -51.4524 -196.196 47.7788 -6.77737 47.7793 30.4196 GPRESSURE: 1520200 69.4146 -38.0593 -5.49276 -81.6136 -171.361 83.0467 -26.1667 -40.4573 68.9421 PRESSAVG: 1520200 32.8474 1.1687 -51.8615 1.16868 -43.3222 6.50519 -51.8615 6.50529 -14.5526 GPRESSAVG: 1520200 31.7611 2.20216 -53.2837 1.26685 -43.1524 6.82785 -48.9169 4.72762 -13.6726 TIMING: 1520200 CPU: 4536.96, 0.00296193/step Wall: 4536.96, 0.00296193/step, 2.86303 hours remaining, 207.429688 MB of memory in use. ENERGY: 1520200 766.5711 2013.8770 1935.1435 130.4045 -206444.5369 17869.1380 0.0000 0.0000 34223.4688 -149505.9339 298.8821 -183729.4028 -149407.6103 298.6540 -45.2400 -11.0016 557592.3855 -8.3425 -8.3547 LDB: ============= START OF LOAD BALANCING ============== 4540.51 LDB: ============== END OF LOAD BALANCING =============== 4540.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4540.51 LDB: ============= START OF LOAD BALANCING ============== 4540.81 LDB: Largest compute 4772 load 0.026994 is 22.8% of average load 0.118182 LDB: Average compute 0.001742 is 1.5% of average load 0.118182 LDB: TIME 4540.81 LOAD: AVG 0.118182 MAX 0.209469 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.746 MB LDB: TIME 4540.81 LOAD: AVG 0.118182 MAX 0.209469 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.746 MB LDB: TIME 4540.81 LOAD: AVG 0.118182 MAX 0.209469 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.746 MB LDB: ============== END OF LOAD BALANCING =============== 4540.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4540.82 PRESSURE: 1520400 -25.6297 13.2101 -83.4412 13.2091 163.733 -169.939 -83.4412 -169.941 151.986 GPRESSURE: 1520400 30.1556 -44.5068 -105.161 6.34621 233.133 -159.592 -152.041 -125.569 125.108 PRESSAVG: 1520400 8.26253 6.11106 -33.6034 6.111 -94.2574 17.9939 -33.6034 17.9939 41.8958 GPRESSAVG: 1520400 10.5027 4.82769 -32.9372 5.86548 -93.8598 18.6157 -37.2744 18.2173 39.7758 TIMING: 1520400 CPU: 4537.57, 0.00303882/step Wall: 4537.57, 0.00303882/step, 2.93719 hours remaining, 206.132812 MB of memory in use. ENERGY: 1520400 714.6979 2083.7243 1954.5328 108.6628 -206824.3869 18079.6812 0.0000 0.0000 34395.6772 -149487.4107 300.3860 -183883.0879 -149385.1702 298.9268 96.6966 129.4655 557595.4689 -14.6997 -14.5271 PRESSURE: 1520600 -26.9659 -7.29486 180.9 -7.29453 50.7158 -26.7957 180.901 -26.7962 -156.525 GPRESSURE: 1520600 32.0566 -27.4572 167.709 -16.1764 61.5627 41.2807 204.132 -77.1626 -114.678 PRESSAVG: 1520600 -12.7236 50.6847 -2.85833 50.6846 3.66851 -33.7785 -2.85832 -33.7785 -7.55704 GPRESSAVG: 1520600 -12.6938 52.104 -4.59527 48.6167 3.71027 -34.3154 0.277902 -32.1488 -6.91749 TIMING: 1520600 CPU: 4538.16, 0.00298923/step Wall: 4538.16, 0.00298923/step, 2.88909 hours remaining, 206.132812 MB of memory in use. ENERGY: 1520600 766.6815 2086.7246 1928.2431 112.9822 -206531.5587 17887.2250 0.0000 0.0000 34081.7180 -149667.9842 297.6441 -183749.7023 -149564.4749 298.7006 -44.2585 -7.0195 558534.3043 -5.5374 -5.3003 PRESSURE: 1520800 -120.203 65.0738 -31.4753 65.0739 -138.226 -15.0872 -31.473 -15.0862 -366.99 GPRESSURE: 1520800 -121.247 144.246 93.8481 89.4802 -100.261 -77.6489 -47.7994 5.30635 -308.979 PRESSAVG: 1520800 72.545 -22.4751 18.7837 -22.4751 38.2125 25.5556 18.7837 25.5555 -82.4537 GPRESSAVG: 1520800 71.7663 -22.6054 21.0899 -21.6724 37.8923 25.9906 18.0025 24.9319 -81.8232 TIMING: 1520800 CPU: 4538.76, 0.00299734/step Wall: 4538.76, 0.00299734/step, 2.89676 hours remaining, 206.132812 MB of memory in use. ENERGY: 1520800 694.9909 2030.2415 1940.9853 94.0828 -205788.3623 17425.8238 0.0000 0.0000 33938.1476 -149664.0904 296.3903 -183602.2379 -149572.2605 297.6437 -208.4728 -176.8287 559615.0414 9.4346 9.2785 PRESSURE: 1521000 9.88507 91.1032 161.425 91.1029 32.7197 -156.604 161.424 -156.603 39.2657 GPRESSURE: 1521000 48.3798 102.624 109.437 8.6019 58.1814 -86.6215 124.664 -181.754 64.308 PRESSAVG: 1521000 -1.24536 -35.8014 -14.0738 -35.8013 28.2595 34.955 -14.0737 34.9551 -47.2032 GPRESSAVG: 1521000 -2.40291 -36.5901 -15.3239 -35.9671 29.1666 34.2248 -13.6437 36.1452 -47.1617 TIMING: 1521000 CPU: 4539.36, 0.00298177/step Wall: 4539.36, 0.00298177/step, 2.88155 hours remaining, 206.132812 MB of memory in use. ENERGY: 1521000 726.6863 2088.9866 1938.6101 104.3116 -206636.6389 18048.9303 0.0000 0.0000 34178.8111 -149550.3029 298.4921 -183729.1140 -149455.5575 298.6926 27.2901 56.9564 558534.7873 -6.7297 -6.7993 PRESSURE: 1521200 -190.593 125.11 11.6883 125.109 -213.868 24.2373 11.688 24.236 -62.7197 GPRESSURE: 1521200 -115.339 141.925 80.4825 151.148 -157.39 103.697 -9.95206 -20.3385 -96.4946 PRESSAVG: 1521200 -16.9847 -35.8544 5.319 -35.8544 72.3204 -13.133 5.31891 -13.133 -88.8866 GPRESSAVG: 1521200 -15.237 -35.5144 7.36834 -34.2129 71.1007 -11.3733 3.3299 -13.229 -89.2212 TIMING: 1521200 CPU: 4539.95, 0.00297289/step Wall: 4539.95, 0.00297289/step, 2.87281 hours remaining, 206.132812 MB of memory in use. ENERGY: 1521200 736.0304 2101.1548 1921.6893 113.2224 -206169.2556 17642.3868 0.0000 0.0000 34141.5082 -149513.2637 298.1663 -183654.7719 -149421.2174 298.8944 -155.7270 -123.0743 557738.4136 -11.1836 -11.1192 PRESSURE: 1521400 -47.8761 -23.6367 75.3891 -23.6353 -128.91 28.0601 75.3901 28.0594 -99.7035 GPRESSURE: 1521400 -32.9529 -75.6268 76.0028 5.17342 -91.4226 21.9986 -1.92586 -28.9041 -67.8565 PRESSAVG: 1521400 8.77822 -58.1841 1.55201 -58.1842 -7.08507 -3.4909 1.55204 -3.49085 32.752 GPRESSAVG: 1521400 8.5652 -56.3118 -1.43881 -60.0732 -6.08183 -5.13169 4.22678 -4.35421 32.1762 TIMING: 1521400 CPU: 4540.55, 0.00299542/step Wall: 4540.55, 0.00299542/step, 2.89441 hours remaining, 206.132812 MB of memory in use. ENERGY: 1521400 745.1611 2092.9713 1902.9949 113.5697 -206169.1838 17910.9501 0.0000 0.0000 33903.4758 -149500.0608 296.0875 -183403.5366 -149410.5879 298.7904 -92.1630 -64.0773 559931.1002 11.4817 11.5532 PRESSURE: 1521600 191.299 17.2445 -34.576 17.2455 -118.233 82.268 -34.5756 82.2672 -184.994 GPRESSURE: 1521600 237.71 -49.7163 5.43504 27.1172 -99.1596 111.089 24.4407 119.481 -150.06 PRESSAVG: 1521600 27.4752 -31.0042 8.8324 -31.0042 -24.0351 43.2039 8.83232 43.204 1.12193 GPRESSAVG: 1521600 27.9982 -34.61 11.561 -29.4486 -25.2043 43.6167 8.68813 45.6581 1.80783 TIMING: 1521600 CPU: 4541.14, 0.00296107/step Wall: 4541.14, 0.00296107/step, 2.86105 hours remaining, 206.132812 MB of memory in use. ENERGY: 1521600 769.7324 2070.8575 1904.6981 108.2493 -206603.0850 18048.6807 0.0000 0.0000 34078.7422 -149622.1248 297.6181 -183700.8670 -149519.4776 297.8044 -37.3095 -3.8366 557597.1963 1.5207 1.5339 PRESSURE: 1521800 -7.58861 48.3677 -104.46 48.368 -12.4207 79.5774 -104.459 79.5797 196.057 GPRESSURE: 1521800 20.5165 90.5278 -72.1229 71.2734 -0.0728402 136.648 -62.3537 56.4274 243.085 PRESSAVG: 1521800 37.4252 44.1174 29.6239 44.1175 -59.4488 -7.17896 29.6239 -7.17906 -6.20584 GPRESSAVG: 1521800 36.3963 46.1344 27.7337 43.773 -59.0175 -4.71345 27.8649 -10.1571 -5.23211 TIMING: 1521800 CPU: 4541.74, 0.0029851/step Wall: 4541.74, 0.0029851/step, 2.8841 hours remaining, 206.132812 MB of memory in use. ENERGY: 1521800 730.2499 2051.9241 1927.3368 102.2916 -206341.2494 17915.3483 0.0000 0.0000 34073.0925 -149541.0062 297.5688 -183614.0987 -149442.1572 297.8059 58.6827 87.8430 557461.1099 -9.4098 -9.2844 PRESSURE: 1522000 195.219 -0.235462 77.2667 -0.236485 -114.05 -47.0397 77.2671 -47.0414 95.5084 GPRESSURE: 1522000 241.268 2.26104 107.497 21.4116 -82.3004 -0.39032 24.9723 -116.185 122.974 PRESSAVG: 1522000 -35.0846 22.6896 22.0513 22.6897 12.5564 16.0489 22.0514 16.0488 -16.9524 GPRESSAVG: 1522000 -34.3647 22.255 23.7762 21.455 12.4768 13.3442 22.2885 15.1265 -17.3128 TIMING: 1522000 CPU: 4542.34, 0.00297126/step Wall: 4542.34, 0.00297126/step, 2.87057 hours remaining, 206.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1522000 768.0528 1984.9503 1927.8755 109.9902 -206407.8870 18048.0702 0.0000 0.0000 34063.6676 -149505.2803 297.4865 -183568.9479 -149409.1246 297.8522 58.8923 93.9808 557146.6946 -13.1602 -13.0669 PRESSURE: 1522200 96.2026 -175.451 66.1392 -175.45 -236.847 16.2238 66.1385 16.2233 -237.371 GPRESSURE: 1522200 137.397 -208.996 46.8586 -163.317 -229.529 35.3349 78.2468 8.29153 -186.375 PRESSAVG: 1522200 24.3437 0.432012 57.6373 0.43196 22.4464 48.7045 57.6374 48.7044 -10.2834 GPRESSAVG: 1522200 23.7502 0.631085 56.4624 -0.230515 22.5078 46.4842 57.0275 52.6601 -9.89083 TIMING: 1522200 CPU: 4542.93, 0.00295873/step Wall: 4542.93, 0.00295873/step, 2.8583 hours remaining, 206.132812 MB of memory in use. ENERGY: 1522200 742.4238 2073.6538 1922.3879 118.6406 -206293.2043 17614.8878 0.0000 0.0000 34199.6394 -149621.5709 298.6740 -183821.2104 -149529.4132 298.0977 -126.0053 -92.8353 558075.6410 12.1689 12.1224 PRESSURE: 1522400 155.884 -74.5256 -23.6077 -74.5269 -88.8337 20.5497 -23.608 20.5486 99.557 GPRESSURE: 1522400 172.436 10.0408 -36.667 -55.5 12.0037 73.1689 -84.0707 0.159951 91.1604 PRESSAVG: 1522400 21.191 32.0191 -0.12358 32.0189 -15.6402 25.3812 -0.12359 25.3812 -41.0431 GPRESSAVG: 1522400 20.8884 35.5071 -0.607384 29.8083 -15.1454 26.9529 0.385319 23.1561 -41.0377 TIMING: 1522400 CPU: 4543.52, 0.0029704/step Wall: 4543.52, 0.0029704/step, 2.86941 hours remaining, 206.132812 MB of memory in use. ENERGY: 1522400 727.8874 2048.3088 1918.3507 115.1925 -206453.7553 17973.3840 0.0000 0.0000 34109.9828 -149560.6492 297.8910 -183670.6320 -149467.8325 298.0322 55.5356 91.8667 557277.6760 -11.8308 -11.7649 PRESSURE: 1522600 -63.1224 118.573 -49.6118 118.573 194.686 -1.5154 -49.6117 -1.51603 -131.707 GPRESSURE: 1522600 1.55756 53.6104 -75.3524 29.0096 208.759 -14.9866 -62.0451 -66.3085 -127.384 PRESSAVG: 1522600 29.8876 4.12877 -40.2939 4.12874 5.85098 14.0835 -40.2939 14.0836 -27.1023 GPRESSAVG: 1522600 31.2427 2.15204 -40.0964 6.71525 5.53365 15.0499 -39.5751 15.5158 -28.0244 TIMING: 1522600 CPU: 4544.12, 0.00297789/step Wall: 4544.12, 0.00297789/step, 2.87648 hours remaining, 206.132812 MB of memory in use. ENERGY: 1522600 742.5503 2110.5966 1921.8803 114.4788 -206596.3246 17969.6736 0.0000 0.0000 34081.7228 -149655.4222 297.6442 -183737.1450 -149558.6071 297.4712 -0.0479 27.6442 558036.6415 2.8788 2.9173 PRESSURE: 1522800 -158.101 -119.738 69.1543 -119.738 -160.787 21.4855 69.1548 21.4848 44.5304 GPRESSURE: 1522800 -83.7537 -101.835 100.1 -73.3388 -164.961 72.8519 8.07902 11.2587 63.8418 PRESSAVG: 1522800 28.6638 39.54 15.8755 39.5401 -58.7157 -2.82556 15.8756 -2.8255 30.9726 GPRESSAVG: 1522800 28.0016 37.4964 16.1506 41.311 -59.0229 -2.8248 17.3702 -4.82132 32.2016 TIMING: 1522800 CPU: 4544.72, 0.00300442/step Wall: 4544.72, 0.00300442/step, 2.90194 hours remaining, 206.132812 MB of memory in use. ENERGY: 1522800 721.8596 2153.7170 1913.6992 105.9869 -206222.4255 17772.0149 0.0000 0.0000 33968.8998 -149586.2480 296.6589 -183555.1478 -149489.0816 297.1003 -91.4527 -61.6244 559332.3310 0.3069 0.3934 PRESSURE: 1523000 73.5278 -75.2897 18.9737 -75.2902 -119.226 114.993 18.9741 114.994 -19.0547 GPRESSURE: 1523000 69.5173 -110.796 100.268 -66.719 -39.8422 114.435 2.2324 115.378 2.5825 PRESSAVG: 1523000 -7.92178 10.8025 -22.4967 10.8026 10.5859 61.1926 -22.4967 61.1926 5.5949 GPRESSAVG: 1523000 -8.03647 11.804 -21.9024 7.00267 11.2003 60.5802 -23.003 61.5515 4.91373 TIMING: 1523000 CPU: 4545.32, 0.0029862/step Wall: 4545.32, 0.0029862/step, 2.88418 hours remaining, 206.132812 MB of memory in use. ENERGY: 1523000 763.2377 2064.3859 1952.7703 115.6801 -206479.1896 17847.7225 0.0000 0.0000 34180.4621 -149554.9310 298.5065 -183735.3930 -149465.1951 298.6755 -21.5842 10.7525 557942.7020 2.7530 2.6925 PRESSURE: 1523200 -31.8607 136.202 -231.971 136.2 -72.1727 28.6202 -231.971 28.6205 -454.773 GPRESSURE: 1523200 10.3785 166.305 -172.515 158.844 -91.1165 98.3518 -303.679 18.285 -380.08 PRESSAVG: 1523200 -31.6552 10.574 -34.5756 10.5741 70.6624 -13.0036 -34.5755 -13.0036 -63.0535 GPRESSAVG: 1523200 -31.7427 12.5276 -34.0968 12.5953 69.8817 -11.2338 -35.7542 -11.6169 -62.498 TIMING: 1523200 CPU: 4545.91, 0.00298607/step Wall: 4545.91, 0.00298607/step, 2.88388 hours remaining, 206.132812 MB of memory in use. ENERGY: 1523200 778.1879 2058.3191 1938.6325 117.4138 -206437.3937 17906.1227 0.0000 0.0000 34101.7208 -149536.9970 297.8188 -183638.7179 -149443.2438 298.2252 -186.2688 -153.6061 558211.0479 -8.0154 -8.1197 PRESSURE: 1523400 -7.36451 120.674 79.7609 120.672 -157.915 36.5919 79.7609 36.5923 -102.95 GPRESSURE: 1523400 4.90763 20.8762 83.139 132.103 -127.731 4.56763 56.6566 90.1808 -48.1688 PRESSAVG: 1523400 16.1315 74.8305 -8.26796 74.8305 -5.29897 20.8527 -8.26796 20.8528 -27.7165 GPRESSAVG: 1523400 17.3713 71.1575 -8.80569 75.8628 -5.17434 17.0798 -7.96196 22.3946 -29.0278 TIMING: 1523400 CPU: 4546.51, 0.00297783/step Wall: 4546.51, 0.00297783/step, 2.87575 hours remaining, 206.132812 MB of memory in use. ENERGY: 1523400 751.3062 2070.5491 1933.2358 113.2732 -206441.2962 17804.2659 0.0000 0.0000 34160.0125 -149608.6535 298.3279 -183768.6660 -149511.0577 298.2649 -89.4100 -56.9975 557817.0149 -5.6280 -5.6103 PRESSURE: 1523600 -87.94 -52.6356 -63.2777 -52.6353 -24.0617 174.274 -63.2784 174.274 148.936 GPRESSURE: 1523600 -122.79 -36.5081 -22.7131 20.8549 8.70227 270.988 47.4086 53.4177 247.936 PRESSAVG: 1523600 4.73803 36.3052 12.1936 36.3051 -51.0144 -19.6592 12.1935 -19.6593 34.6688 GPRESSAVG: 1523600 2.91292 35.8268 13.2262 35.3254 -50.28 -16.6639 12.7771 -21.472 36.2057 TIMING: 1523600 CPU: 4547.1, 0.00297015/step Wall: 4547.1, 0.00297015/step, 2.86818 hours remaining, 206.132812 MB of memory in use. ENERGY: 1523600 759.3120 2028.6896 1938.9190 105.8118 -206341.5702 17760.1534 0.0000 0.0000 34293.0589 -149455.6254 299.4898 -183748.6843 -149352.0527 298.4080 12.3114 44.6161 557856.3598 -3.8692 -3.7204 PRESSURE: 1523800 -182.018 -264.299 28.7353 -264.298 -219.007 -207.499 28.7357 -207.499 -320.673 GPRESSURE: 1523800 -169.845 -248.885 -17.4507 -280.075 -204.077 -201.665 9.3792 -110.846 -247.238 PRESSAVG: 1523800 -19.8715 24.2614 39.5922 24.2615 -15.4455 -27.4257 39.5922 -27.4258 14.8772 GPRESSAVG: 1523800 -18.5014 26.2927 37.3395 22.225 -16.5019 -28.3852 39.76 -26.3213 14.6823 TIMING: 1523800 CPU: 4547.7, 0.00296893/step Wall: 4547.7, 0.00296893/step, 2.86683 hours remaining, 206.132812 MB of memory in use. ENERGY: 1523800 746.6747 2064.8612 1920.9450 115.3557 -205737.3996 17487.0841 0.0000 0.0000 33996.0236 -149406.4553 296.8957 -183402.4789 -149310.7217 298.7234 -240.5662 -207.0535 559555.2981 -6.8133 -6.7737 PRESSURE: 1524000 5.52432 -108.368 -151.151 -108.368 -397.813 34.1903 -151.153 34.1904 -63.0791 GPRESSURE: 1524000 75.11 -29.9683 -113.189 -104.011 -393.838 18.2537 -176.678 68.3773 -42.4143 PRESSAVG: 1524000 44.2625 24.7317 -23.4903 24.7317 -54.291 8.93144 -23.4902 8.93144 13.4284 GPRESSAVG: 1524000 42.7366 25.1606 -21.8201 26.607 -53.3224 10.2803 -24.4381 8.15612 14.0004 TIMING: 1524000 CPU: 4548.29, 0.00298682/step Wall: 4548.29, 0.00298682/step, 2.88394 hours remaining, 206.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1524000 769.6521 2055.4457 1932.2711 120.1611 -206097.2790 17499.3654 0.0000 0.0000 34387.2906 -149333.0928 300.3128 -183720.3835 -149236.6496 298.6573 -151.7892 -120.3809 557170.7028 1.1333 1.1382 PRESSURE: 1524200 -129.103 -28.5104 65.0286 -28.5099 -333.125 52.4644 65.0286 52.4661 -409.886 GPRESSURE: 1524200 -111.669 -18.1164 155.441 -83.5658 -329.911 31.8675 17.6138 57.7343 -321.699 PRESSAVG: 1524200 89.7973 21.0116 -15.1629 21.0117 -103.598 35.0738 -15.1628 35.0737 51.9176 GPRESSAVG: 1524200 89.081 19.6181 -16.4713 20.375 -104.16 33.7885 -14.2238 35.8024 53.0436 TIMING: 1524200 CPU: 4548.89, 0.00298407/step Wall: 4548.89, 0.00298407/step, 2.88112 hours remaining, 206.132812 MB of memory in use. ENERGY: 1524200 774.4740 2046.1413 1935.1518 106.8997 -205981.5196 17486.8740 0.0000 0.0000 34253.9971 -149377.9817 299.1487 -183631.9788 -149274.7233 298.7337 -290.7050 -254.4264 558098.8553 12.7057 12.6549 LDB: ============= START OF LOAD BALANCING ============== 4552.44 LDB: ============== END OF LOAD BALANCING =============== 4552.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4552.44 LDB: ============= START OF LOAD BALANCING ============== 4552.75 LDB: Largest compute 4772 load 0.028225 is 23.9% of average load 0.118176 LDB: Average compute 0.001746 is 1.5% of average load 0.118176 LDB: TIME 4552.75 LOAD: AVG 0.118176 MAX 0.213365 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.156 MB LDB: TIME 4552.75 LOAD: AVG 0.118176 MAX 0.213365 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.156 MB LDB: TIME 4552.75 LOAD: AVG 0.118176 MAX 0.213365 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.156 MB LDB: ============== END OF LOAD BALANCING =============== 4552.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4552.76 PRESSURE: 1524400 -209.582 66.3195 -135.345 66.3196 -138.956 2.43567 -135.345 2.43727 -305.347 GPRESSURE: 1524400 -164.298 49.4778 -108.451 79.4734 -97.3015 -57.2791 -167.745 65.8819 -298.617 PRESSAVG: 1524400 77.5557 -21.2436 -59.7181 -21.2435 -64.4531 50.0487 -59.7182 50.0487 -21.0546 GPRESSAVG: 1524400 78.517 -20.6077 -59.4085 -19.7052 -63.6034 49.7988 -58.5144 49.3 -23.0827 TIMING: 1524400 CPU: 4549.51, 0.00309389/step Wall: 4549.51, 0.00309389/step, 2.98698 hours remaining, 209.468750 MB of memory in use. ENERGY: 1524400 737.2908 2105.3538 1923.8734 114.8290 -205781.5441 17424.7517 0.0000 0.0000 33990.5472 -149484.8983 296.8479 -183475.4455 -149390.1981 297.8946 -217.9617 -186.7389 558595.6931 -2.6506 -2.7230 PRESSURE: 1524600 -187.319 -106.228 65.2113 -106.227 -204.099 120.796 65.2125 120.797 -184.23 GPRESSURE: 1524600 -155.102 -13.2057 16.4093 -104.824 -140.272 179.895 91.7885 46.3184 -179.179 PRESSAVG: 1524600 42.9016 -0.666629 37.3755 -0.66666 -80.3947 55.0177 37.3755 55.0177 -7.71522 GPRESSAVG: 1524600 43.5674 0.58853 37.1679 -3.02671 -81.5362 54.4218 36.9128 55.5009 -7.35083 TIMING: 1524600 CPU: 4550.11, 0.00302342/step Wall: 4550.11, 0.00302342/step, 2.91878 hours remaining, 209.468750 MB of memory in use. ENERGY: 1524600 772.9976 2086.7292 1910.1767 108.5827 -206155.6280 17648.6426 0.0000 0.0000 34025.7415 -149602.7577 297.1553 -183628.4992 -149500.5010 298.1181 -191.8825 -158.1843 558250.7600 -15.0694 -15.1065 PRESSURE: 1524800 -119.333 141.514 -182.801 141.514 -54.4585 -36.5318 -182.802 -36.5326 32.7226 GPRESSURE: 1524800 -31.649 122.837 -226.299 78.5996 3.48325 -54.5973 -154.546 8.57533 -14.4196 PRESSAVG: 1524800 56.3815 14.0994 29.387 14.0994 -80.9844 41.7265 29.387 41.7265 51.2582 GPRESSAVG: 1524800 55.7031 13.9621 28.3848 15.2284 -80.2958 41.7207 30.0189 40.888 51.341 TIMING: 1524800 CPU: 4550.72, 0.00302932/step Wall: 4550.72, 0.00302932/step, 2.9243 hours remaining, 209.468750 MB of memory in use. ENERGY: 1524800 764.7559 2149.9947 1931.3967 109.8430 -206514.1012 17797.6469 0.0000 0.0000 34244.1602 -149516.3039 299.0628 -183760.4640 -149426.9305 298.0767 -47.0231 -14.1951 557774.5385 8.8851 8.9161 PRESSURE: 1525000 -168.693 -24.4151 -84.4386 -24.4138 -485.026 41.2418 -84.4389 41.2424 11.5159 GPRESSURE: 1525000 -172.133 -55.905 -148.843 24.566 -440.774 21.0186 -92.2832 71.097 69.4384 PRESSAVG: 1525000 -61.8137 -25.9871 -53.2198 -25.9871 16.9631 39.4942 -53.2198 39.4942 42.3528 GPRESSAVG: 1525000 -61.3512 -26.8669 -52.5216 -24.7942 16.052 41.9086 -54.1642 37.1312 43.2705 TIMING: 1525000 CPU: 4551.33, 0.00303324/step Wall: 4551.33, 0.00303324/step, 2.92792 hours remaining, 209.468750 MB of memory in use. ENERGY: 1525000 759.1324 2098.5804 1897.9170 114.6210 -206308.6116 17711.3531 0.0000 0.0000 34240.5843 -149486.4234 299.0315 -183727.0078 -149395.2649 298.7601 -214.0678 -181.1561 557734.6287 -0.8326 -0.6762 PRESSURE: 1525200 -29.8558 -14.5674 13.1572 -14.5686 386.88 195.451 13.1564 195.45 -7.03106 GPRESSURE: 1525200 20.1015 79.3973 -15.8478 -89.6085 459.422 208.19 -1.65299 195.476 -36.1691 PRESSAVG: 1525200 57.1265 -33.9873 -24.907 -33.9874 -86.0989 17.3312 -24.9072 17.3312 11.1875 GPRESSAVG: 1525200 58.2119 -35.1105 -26.1688 -34.7807 -85.62 16.1735 -24.621 20.3481 9.98639 TIMING: 1525200 CPU: 4551.93, 0.00300132/step Wall: 4551.93, 0.00300132/step, 2.89694 hours remaining, 209.468750 MB of memory in use. ENERGY: 1525200 751.8924 2106.8408 1950.1465 114.8283 -206444.0822 17918.2705 0.0000 0.0000 34362.2694 -149239.8342 300.0942 -183602.1036 -149142.1888 298.8632 116.6644 147.7849 556889.0038 -5.9283 -5.8072 PRESSURE: 1525400 119.168 -29.6205 93.6376 -29.6192 -1.93031 -128.493 93.6375 -128.493 -141.537 GPRESSURE: 1525400 208.243 -114.341 20.6408 -8.18014 10.4903 -53.0868 64.1772 -117.14 -145.541 PRESSAVG: 1525400 9.39599 -1.82128 -18.436 -1.82128 19.8252 48.22 -18.4358 48.22 5.68536 GPRESSAVG: 1525400 8.37688 -0.442247 -19.0535 -2.49504 19.6509 49.929 -17.7718 45.3738 6.88474 TIMING: 1525400 CPU: 4552.53, 0.0030092/step Wall: 4552.53, 0.0030092/step, 2.90438 hours remaining, 209.468750 MB of memory in use. ENERGY: 1525400 765.8139 2101.3061 1920.1463 112.8100 -206049.7015 17856.6369 0.0000 0.0000 34064.1152 -149228.8731 297.4904 -183292.9883 -149135.5036 299.2420 -8.0998 24.3976 557760.0142 11.6355 11.6375 PRESSURE: 1525600 -191.401 -156.993 48.3254 -156.993 -247.643 39.8093 48.3245 39.8091 -55.6808 GPRESSURE: 1525600 -187.764 -98.7133 77.3526 -182.329 -133.11 60.3703 76.4955 -2.92506 -75.9626 PRESSAVG: 1525600 74.0974 22.5411 18.6871 22.541 -19.1541 -58.5936 18.6871 -58.5936 -22.7994 GPRESSAVG: 1525600 73.612 22.0483 19.4339 22.5413 -18.5609 -60.1237 18.8854 -55.8199 -22.924 TIMING: 1525600 CPU: 4553.13, 0.00299937/step Wall: 4553.13, 0.00299938/step, 2.89473 hours remaining, 209.468750 MB of memory in use. ENERGY: 1525600 737.9362 2084.4091 1921.4064 103.9336 -205611.1324 17433.5132 0.0000 0.0000 34190.5110 -149139.4229 298.5942 -183329.9340 -149044.6029 299.4215 -164.9083 -132.2789 557595.4885 10.7146 10.7091 PRESSURE: 1525800 -99.909 47.9016 183.061 47.9007 109.931 37.8964 183.062 37.8956 85.4804 GPRESSURE: 1525800 -80.6178 23.929 141.049 4.12523 142.825 6.9755 268.06 3.43913 129.221 PRESSAVG: 1525800 1.13014 2.0478 54.764 2.04771 17.3205 1.27543 54.7641 1.27533 -50.4377 GPRESSAVG: 1525800 1.97153 2.68045 55.2957 1.04357 17.3658 0.183735 54.4054 0.336335 -51.4825 TIMING: 1525800 CPU: 4553.73, 0.00299286/step Wall: 4553.73, 0.00299286/step, 2.88828 hours remaining, 209.468750 MB of memory in use. ENERGY: 1525800 744.3879 1988.7719 1937.9232 109.2573 -205720.3997 17789.2695 0.0000 0.0000 34272.8963 -148877.8937 299.3137 -183150.7900 -148790.4259 299.6941 31.8343 63.8094 558068.4745 -10.6624 -10.7150 PRESSURE: 1526000 3.59325 -102.11 20.6262 -102.111 224.653 -54.3272 20.6261 -54.3264 114.122 GPRESSURE: 1526000 42.6232 -137.061 -29.5804 -49.3501 219.131 -105.942 52.7488 -65.8541 170.737 PRESSAVG: 1526000 20.9232 12.783 14.549 12.7831 39.3772 -60.7091 14.5489 -60.7091 -42.7585 GPRESSAVG: 1526000 20.8929 12.7407 15.8771 13.187 39.059 -59.8279 11.7837 -61.7229 -42.0158 TIMING: 1526000 CPU: 4554.33, 0.00301302/step Wall: 4554.33, 0.00301302/step, 2.90757 hours remaining, 209.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1526000 711.4932 2078.2419 1919.2756 117.3897 -205738.9614 17782.8534 0.0000 0.0000 34401.1161 -148728.5914 300.4335 -183129.7075 -148630.8245 300.0876 114.1228 144.1636 556729.3959 5.8473 5.9787 PRESSURE: 1526200 78.9196 130.374 -77.9136 130.374 -5.92553 112.376 -77.9123 112.376 -116.991 GPRESSURE: 1526200 141.861 132.352 -88.3294 157.359 13.7636 194.744 -52.5458 29.192 -101.345 PRESSAVG: 1526200 29.0864 32.9528 48.2438 32.9528 -15.1097 13.5304 48.244 13.5302 -6.97085 GPRESSAVG: 1526200 29.3762 32.0521 46.808 33.1795 -13.589 13.7213 49.6553 13.7824 -8.01857 TIMING: 1526200 CPU: 4554.92, 0.00297272/step Wall: 4554.92, 0.00297272/step, 2.86851 hours remaining, 209.468750 MB of memory in use. ENERGY: 1526200 732.1322 2041.5250 1909.2736 98.3126 -205650.0412 17556.0722 0.0000 0.0000 34394.9787 -148917.7470 300.3799 -183312.7256 -148822.8500 300.7363 -14.6656 18.0933 556725.2415 2.3353 2.5895 PRESSURE: 1526400 -128.604 -2.95283 -63.6624 -2.95225 58.0207 26.5918 -63.6625 26.5911 -122.334 GPRESSURE: 1526400 -14.5675 5.66378 -32.6462 -7.16609 63.748 19.4771 -80.7192 78.5058 -147.682 PRESSAVG: 1526400 -4.51184 -4.91896 -24.9709 -4.91901 -41.5111 16.8075 -24.9708 16.8075 -3.22445 GPRESSAVG: 1526400 -4.43602 -3.64999 -24.8988 -4.8709 -43.2498 17.4835 -25.1114 16.0155 -1.47137 TIMING: 1526400 CPU: 4555.52, 0.00299129/step Wall: 4555.52, 0.00299129/step, 2.88626 hours remaining, 209.468750 MB of memory in use. ENERGY: 1526400 733.0908 2055.3033 1911.3362 105.9578 -205786.1937 17535.6415 0.0000 0.0000 34257.6390 -149187.2251 299.1805 -183444.8641 -149091.4830 299.3143 -64.3059 -32.8338 556510.1596 -16.4158 -16.3857 PRESSURE: 1526600 -147.883 -138.05 124.577 -138.05 403.024 -19.9631 124.577 -19.9622 49.3955 GPRESSURE: 1526600 -129.22 -86.3115 136.503 -153.656 502.066 29.0341 71.3083 -72.6336 23.7289 PRESSAVG: 1526600 8.42699 10.9486 30.1923 10.9485 -31.4127 -67.3462 30.1923 -67.3462 29.4369 GPRESSAVG: 1526600 8.97556 11.4229 30.0981 8.66814 -30.2768 -67.1212 29.1287 -67.2285 28.2324 TIMING: 1526600 CPU: 4556.12, 0.00299307/step Wall: 4556.12, 0.00299307/step, 2.88781 hours remaining, 209.468750 MB of memory in use. ENERGY: 1526600 748.4561 2052.6767 1907.2586 107.6164 -206683.7615 17999.6177 0.0000 0.0000 34674.9809 -149193.1550 302.8252 -183868.1360 -149098.0623 299.5809 101.5123 132.1918 556762.7580 2.1504 2.3104 PRESSURE: 1526800 -199.109 58.173 148.709 58.1719 -123.931 -34.7355 148.707 -34.7368 -46.8503 GPRESSURE: 1526800 -154.007 174.606 68.4944 55.7759 -84.5455 18.5475 168.552 -54.8326 -26.7434 PRESSAVG: 1526800 -42.375 39.2053 40.9728 39.2054 50.8132 -22.1855 40.9727 -22.1855 -20.058 GPRESSAVG: 1526800 -41.559 39.2387 41.1592 41.82 50.4328 -22.4719 42.7224 -22.586 -20.4021 TIMING: 1526800 CPU: 4556.72, 0.0029854/step Wall: 4556.72, 0.0029854/step, 2.88025 hours remaining, 209.468750 MB of memory in use. ENERGY: 1526800 788.3925 2077.2363 1927.0797 131.2338 -206272.6958 17751.0682 0.0000 0.0000 34313.7593 -149283.9261 299.6706 -183597.6853 -149189.4087 299.6137 -123.2967 -88.4320 557931.2368 -3.8733 -3.8428 PRESSURE: 1527000 16.6159 16.3799 38.1871 16.3803 -168.579 142.859 38.1885 142.857 -104.185 GPRESSURE: 1527000 88.9813 28.3307 60.8822 -8.05847 -127.668 201.547 -36.5128 188.938 -110.683 PRESSAVG: 1527000 36.1997 -22.2276 82.7632 -22.2276 2.89896 -9.31033 82.7633 -9.31025 -12.2145 GPRESSAVG: 1527000 34.1638 -23.5045 82.4202 -22.9319 3.47803 -10.6413 81.6376 -7.19851 -11.2098 TIMING: 1527000 CPU: 4557.32, 0.00300819/step Wall: 4557.32, 0.00300819/step, 2.90206 hours remaining, 209.468750 MB of memory in use. ENERGY: 1527000 748.5603 2108.9154 1901.1835 110.2441 -205866.4387 17681.7180 0.0000 0.0000 34021.2173 -149294.6003 297.1158 -183315.8175 -149201.5348 299.1900 -85.3826 -49.7899 558593.1486 8.9614 8.8107 PRESSURE: 1527200 -79.0024 -211.23 61.4798 -211.229 72.026 -52.7587 61.4795 -52.759 -266.384 GPRESSURE: 1527200 -88.3912 -244.807 89.4772 -228.96 154.925 -62.1254 45.1109 -48.8595 -246.022 PRESSAVG: 1527200 -36.7311 -47.332 28.301 -47.332 19.8798 30.3194 28.301 30.3193 5.54922 GPRESSAVG: 1527200 -36.1664 -48.0851 28.8944 -46.4527 19.2576 31.6754 30.839 30.3814 5.89278 TIMING: 1527200 CPU: 4557.92, 0.00299287/step Wall: 4557.92, 0.00299287/step, 2.88712 hours remaining, 209.468750 MB of memory in use. ENERGY: 1527200 746.2576 2057.3258 1921.4745 112.3432 -205979.7588 17621.4222 0.0000 0.0000 34122.6333 -149398.3021 298.0014 -183520.9354 -149299.2721 299.3788 -91.1201 -59.8294 557327.9136 -3.7674 -3.6720 PRESSURE: 1527400 34.2274 150.295 -41.8745 150.296 -35.9638 8.77754 -41.8752 8.77744 150.787 GPRESSURE: 1527400 68.9229 19.5161 -1.74823 175.145 22.7791 -23.0558 -122.14 35.5584 162.04 PRESSAVG: 1527400 -47.3673 -22.066 9.35305 -22.066 86.6794 -6.6854 9.35299 -6.68535 22.8761 GPRESSAVG: 1527400 -46.7158 -21.3947 9.68322 -23.1664 86.779 -9.5074 6.37372 -6.47919 22.2031 TIMING: 1527400 CPU: 4558.51, 0.00298014/step Wall: 4558.51, 0.00298014/step, 2.87468 hours remaining, 209.468750 MB of memory in use. ENERGY: 1527400 730.9228 2064.0017 1914.1782 110.3366 -206422.1402 18046.8288 0.0000 0.0000 34123.7422 -149432.1298 298.0111 -183555.8720 -149334.5036 298.8293 49.6834 84.5807 557018.8539 20.7294 20.7554 PRESSURE: 1527600 -144.446 235.504 -91.3592 235.505 -60.6295 26.8664 -91.3588 26.8679 -37.8885 GPRESSURE: 1527600 -88.7291 203.002 -123.984 286.003 -13.535 34.0792 -107.687 36.8549 -30.73 PRESSAVG: 1527600 -7.29415 34.4719 33.728 34.4718 -6.50786 28.099 33.7281 28.099 3.84281 GPRESSAVG: 1527600 -8.55372 32.5978 33.612 35.4669 -5.64761 30.9589 34.1262 27.7726 4.85191 TIMING: 1527600 CPU: 4559.11, 0.00299274/step Wall: 4559.11, 0.00299274/step, 2.88666 hours remaining, 209.468750 MB of memory in use. ENERGY: 1527600 731.4135 2091.6587 1931.9549 113.1266 -206368.0390 17758.4817 0.0000 0.0000 34347.7188 -149393.6848 299.9672 -183741.4036 -149299.7041 299.3270 -80.9880 -44.3313 556746.6300 -3.3197 -3.1165 PRESSURE: 1527800 -425.175 -53.3776 -147.059 -53.377 -346.004 -106.7 -147.06 -106.698 -129.688 GPRESSURE: 1527800 -466.283 -23.8152 -160.45 5.11136 -268.589 -122.257 -64.5697 -126.315 -65.616 PRESSAVG: 1527800 -31.7767 40.1611 -21.7301 40.1612 -15.6187 -15.8122 -21.7301 -15.8123 38.8127 GPRESSAVG: 1527800 -31.5094 41.3794 -21.6473 40.8048 -15.4006 -15.4012 -20.888 -16.3843 38.8478 TIMING: 1527800 CPU: 4559.71, 0.00300026/step Wall: 4559.71, 0.00300026/step, 2.89375 hours remaining, 209.468750 MB of memory in use. ENERGY: 1527800 755.5936 2081.4517 1946.3442 118.7514 -205693.3877 17243.2944 0.0000 0.0000 34223.8005 -149324.1520 298.8850 -183547.9524 -149225.4869 298.9726 -300.2888 -266.8293 557014.5329 -2.8609 -2.6874 PRESSURE: 1528000 62.0844 -121.99 -32.1226 -121.99 -212.734 -100.421 -32.1229 -100.422 -5.21037 GPRESSURE: 1528000 23.8019 -89.5039 66.7904 -146.386 -143.546 -120.407 -107.207 -82.5808 61.2116 PRESSAVG: 1528000 8.73188 10.9328 -35.1258 10.9329 -5.59804 9.64409 -35.1258 9.64409 -26.6078 GPRESSAVG: 1528000 10.2103 10.5091 -37.0042 9.21945 -5.59476 8.46201 -33.9272 9.62427 -27.7746 TIMING: 1528000 CPU: 4560.31, 0.00298182/step Wall: 4560.31, 0.00298182/step, 2.8758 hours remaining, 209.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1528000 746.7642 2130.8375 1943.6113 112.9569 -206243.5823 17720.9433 0.0000 0.0000 34225.8368 -149362.6322 298.9027 -183588.4691 -149266.2353 298.7572 -51.9534 -19.5110 557007.0131 -7.8246 -7.7197 PRESSURE: 1528200 -285.896 195.643 -69.9273 195.642 50.9503 148.67 -69.9277 148.669 128.145 GPRESSURE: 1528200 -296.511 122.628 -89.2612 239.071 88.2172 154.189 -32.4881 163.318 197.52 PRESSAVG: 1528200 -68.9776 0.976474 1.71242 0.976574 -63.2823 -8.52315 1.71241 -8.52312 58.8074 GPRESSAVG: 1528200 -71.0035 1.03785 3.9454 1.56789 -61.9266 -7.98529 0.753631 -8.06129 59.5012 TIMING: 1528200 CPU: 4560.9, 0.00297753/step Wall: 4560.9, 0.00297753/step, 2.8715 hours remaining, 209.468750 MB of memory in use. ENERGY: 1528200 729.3821 2039.4456 1928.7623 95.5640 -206005.3716 17633.5832 0.0000 0.0000 34265.3961 -149313.2383 299.2482 -183578.6344 -149219.0609 298.1821 -35.6003 -3.5914 556833.0983 -24.4842 -24.4763 LDB: ============= START OF LOAD BALANCING ============== 4564.45 LDB: ============== END OF LOAD BALANCING =============== 4564.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4564.46 LDB: ============= START OF LOAD BALANCING ============== 4564.76 LDB: Largest compute 4796 load 0.027847 is 23.6% of average load 0.118116 LDB: Average compute 0.001742 is 1.5% of average load 0.118116 LDB: TIME 4564.76 LOAD: AVG 0.118116 MAX 0.211146 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.621 MB LDB: TIME 4564.76 LOAD: AVG 0.118116 MAX 0.211146 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.824 MB LDB: TIME 4564.76 LOAD: AVG 0.118116 MAX 0.211146 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.824 MB LDB: ============== END OF LOAD BALANCING =============== 4564.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4564.77 PRESSURE: 1528400 -274.927 5.97328 -1.61095 5.97249 50.5955 -39.2082 -1.61003 -39.2097 95.9589 GPRESSURE: 1528400 -212.198 100.504 42.2057 -78.1198 61.459 73.9249 29.6671 -78.2342 127.27 PRESSAVG: 1528400 -108.019 58.422 -27.9026 58.422 60.5903 6.85245 -27.9026 6.85243 47.412 GPRESSAVG: 1528400 -107.577 60.5248 -27.0265 58.5325 58.4157 7.35452 -28.2073 7.05839 48.956 TIMING: 1528400 CPU: 4561.52, 0.00305472/step Wall: 4561.52, 0.00305471/step, 2.94576 hours remaining, 206.507812 MB of memory in use. ENERGY: 1528400 726.8360 2074.4425 1934.4607 106.8277 -206105.3257 17628.8755 0.0000 0.0000 34185.8299 -149448.0535 298.5534 -183633.8834 -149348.3598 298.4915 -42.7908 -7.8229 558319.8650 -0.0057 -0.0685 PRESSURE: 1528600 -125.607 74.7492 -35.3293 74.7511 -283.324 -165.131 -35.3309 -165.13 53.5341 GPRESSURE: 1528600 -99.9108 8.41631 -65.605 54.2636 -253.02 -159.184 -64.3305 -168.583 86.9718 PRESSAVG: 1528600 -73.2756 -5.77837 34.0814 -5.77829 64.3961 17.4 34.0813 17.3999 -0.991859 GPRESSAVG: 1528600 -73.0677 -7.51819 31.4505 -4.86337 64.9563 17.6723 36.6447 17.5036 -2.16942 TIMING: 1528600 CPU: 4562.12, 0.00299832/step Wall: 4562.12, 0.00299832/step, 2.89122 hours remaining, 206.507812 MB of memory in use. ENERGY: 1528600 780.3507 2062.2262 1914.1325 110.4856 -206445.7090 17866.0278 0.0000 0.0000 34284.1317 -149428.3546 299.4118 -183712.4863 -149334.4807 299.2253 -118.4655 -88.6530 558444.5186 -3.2905 -3.4269 PRESSURE: 1528800 -333.488 60.0962 -52.331 60.0958 -35.4006 30.5423 -52.3301 30.5428 -165.337 GPRESSURE: 1528800 -256.128 63.2055 -20.2431 61.0089 -4.27363 -0.915282 -136.057 78.3724 -155.083 PRESSAVG: 1528800 -56.2006 -42.4387 -2.16896 -42.4387 22.5041 -9.48047 -2.16888 -9.48048 29.0666 GPRESSAVG: 1528800 -54.4518 -42.7782 -0.998556 -42.7816 22.4848 -9.51652 -4.5589 -8.50383 28.2312 TIMING: 1528800 CPU: 4562.71, 0.00299846/step Wall: 4562.71, 0.00299846/step, 2.89118 hours remaining, 206.507812 MB of memory in use. ENERGY: 1528800 749.8745 2052.4896 1915.2949 115.7679 -205968.6207 17722.0373 0.0000 0.0000 34253.6558 -149159.5006 299.1457 -183413.1565 -149066.6654 298.8697 -178.0750 -138.4947 558041.8185 -1.5433 -1.2453 PRESSURE: 1529000 -210.748 -30.8737 -16.3089 -30.8712 16.6469 -43.1745 -16.308 -43.1741 -366.888 GPRESSURE: 1529000 -178.659 -29.4609 -2.70193 -77.3969 17.0997 -6.07735 -33.9193 -109.681 -293.809 PRESSAVG: 1529000 10.8533 -1.72675 -39.1452 -1.72666 18.8486 57.3091 -39.1451 57.3091 -33.7933 GPRESSAVG: 1529000 9.24648 -3.84612 -37.7198 -1.65383 18.4843 56.1206 -38.9524 56.6122 -31.9298 TIMING: 1529000 CPU: 4563.31, 0.0029691/step Wall: 4563.31, 0.0029691/step, 2.86271 hours remaining, 206.507812 MB of memory in use. ENERGY: 1529000 744.1569 2073.9413 1909.7549 107.4519 -205812.7561 17604.4172 0.0000 0.0000 34150.3238 -149222.7101 298.2433 -183373.0339 -149127.0389 299.2461 -186.9964 -151.7893 556357.2836 -1.3638 -1.3997 PRESSURE: 1529200 -13.4448 59.5996 101.029 59.5988 -144.695 40.357 101.029 40.3585 36.933 GPRESSURE: 1529200 34.7682 30.9026 92.3957 41.9041 -178.949 -2.34997 130.766 -23.4621 122.894 PRESSAVG: 1529200 -64.8393 50.6004 36.3024 50.6005 -32.8566 12.9531 36.3024 12.9531 83.6018 GPRESSAVG: 1529200 -64.4703 53.5659 35.4992 49.2979 -33.4532 15.1822 34.4569 11.8504 83.9054 TIMING: 1529200 CPU: 4563.9, 0.00297074/step Wall: 4563.9, 0.00297074/step, 2.86413 hours remaining, 206.507812 MB of memory in use. ENERGY: 1529200 721.0425 2070.6127 1922.1989 122.9346 -206060.3085 17728.5578 0.0000 0.0000 34354.0008 -149140.9611 300.0220 -183494.9619 -149047.2557 299.6521 -40.4023 -7.0956 556465.0738 -4.6980 -4.6727 PRESSURE: 1529400 -14.9651 154.62 79.0226 154.621 79.8184 62.1216 79.0221 62.1233 -67.5171 GPRESSURE: 1529400 45.5454 176.272 66.7617 162.014 132.134 5.95806 52.6998 -14.5294 -87.6796 PRESSAVG: 1529400 54.2765 23.9192 41.5717 23.9193 8.74294 14.3772 41.5717 14.3772 -60.8896 GPRESSAVG: 1529400 54.3789 23.9324 41.1848 23.2073 10.4022 12.5681 40.7917 15.0141 -62.5955 TIMING: 1529400 CPU: 4564.5, 0.00300539/step Wall: 4564.5, 0.00300539/step, 2.89736 hours remaining, 206.507812 MB of memory in use. ENERGY: 1529400 749.3745 2038.8440 1919.0033 119.3829 -206035.4652 17819.9750 0.0000 0.0000 34300.3090 -149088.5765 299.5531 -183388.8855 -148996.2143 300.0973 -0.8879 30.0001 556527.9674 0.7099 0.7285 PRESSURE: 1529600 127.338 86.9855 33.3649 86.9851 -34.1138 -25.1385 33.3654 -25.1369 -190.738 GPRESSURE: 1529600 115.317 15.6295 38.05 61.8426 31.6122 -14.8732 53.4688 -130.441 -148.527 PRESSAVG: 1529600 128.669 -10.9491 25.5476 -10.9491 -64.8681 5.44335 25.5476 5.44334 -59.4531 GPRESSAVG: 1529600 129.574 -12.1007 22.3159 -9.67281 -66.185 5.43086 28.5506 5.10957 -58.6182 TIMING: 1529600 CPU: 4565.1, 0.00297684/step Wall: 4565.1, 0.00297684/step, 2.86967 hours remaining, 206.507812 MB of memory in use. ENERGY: 1529600 726.9202 2053.3374 1924.6215 112.1866 -206056.3783 17810.5987 0.0000 0.0000 34257.9260 -149170.7878 299.1830 -183428.7139 -149074.7187 298.9003 -32.5047 -0.5325 557915.6063 1.4492 1.5903 PRESSURE: 1529800 143.716 157.739 35.4901 157.739 40.679 -56.8306 35.4895 -56.8295 -183.961 GPRESSURE: 1529800 137.013 137.416 21.6469 108.641 108.833 -97.3436 8.76293 -33.9149 -147.018 PRESSAVG: 1529800 -8.67061 6.85511 37.7186 6.85515 -44.302 -13.2815 37.7186 -13.2815 14.8835 GPRESSAVG: 1529800 -9.48256 6.6873 39.5479 7.18218 -44.3994 -13.9214 36.174 -14.0923 15.7268 TIMING: 1529800 CPU: 4565.7, 0.00300982/step Wall: 4565.7, 0.00300982/step, 2.9013 hours remaining, 206.507812 MB of memory in use. ENERGY: 1529800 738.5990 2104.3695 1937.0973 100.0431 -206099.5757 17842.9666 0.0000 0.0000 34348.9642 -149027.5358 299.9780 -183376.5000 -148935.9227 299.6141 0.1445 32.9426 557952.7255 -12.6964 -12.7184 PRESSURE: 1530000 -49.7823 52.4995 -3.85338 52.4994 170.314 -8.66139 -3.853 -8.6613 132.344 GPRESSURE: 1530000 12.9223 5.26498 -90.3745 159.743 148.28 -20.9111 27.5936 -84.9342 176.955 PRESSAVG: 1530000 -88.0987 51.0744 -36.333 51.0744 57.2983 22.1807 -36.333 22.1807 70.9982 GPRESSAVG: 1530000 -88.8682 52.3799 -37.6824 51.8129 57.9936 23.7869 -35.4128 23.7502 70.7306 TIMING: 1530000 CPU: 4566.31, 0.00302222/step Wall: 4566.31, 0.00302222/step, 2.91309 hours remaining, 206.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1530000 762.2838 2087.5572 1913.4462 112.6597 -206083.1538 17945.7334 0.0000 0.0000 34326.5325 -148934.9410 299.7821 -183261.4735 -148839.4158 299.8420 84.2920 112.7189 558695.1719 13.3993 13.2853 PRESSURE: 1530200 21.6983 73.8266 227.191 73.8256 73.1668 -50.4899 227.192 -50.489 408.991 GPRESSURE: 1530200 53.9865 39.7236 229.023 14.8234 152.906 -80.8391 127.274 -100.407 395.358 PRESSAVG: 1530200 -14.3553 14.0727 4.51717 14.0727 -16.8847 -14.8304 4.5171 -14.8304 21.7161 GPRESSAVG: 1530200 -11.8679 13.4951 6.20671 14.1091 -17.7791 -15.1679 3.24186 -15.6886 20.1292 TIMING: 1530200 CPU: 4566.91, 0.00300037/step Wall: 4566.91, 0.00300037/step, 2.89185 hours remaining, 206.507812 MB of memory in use. ENERGY: 1530200 708.7814 2140.0702 1955.3912 102.5851 -206319.5548 18151.5372 0.0000 0.0000 34393.1229 -148868.0667 300.3637 -183261.1896 -148776.6113 300.0287 167.9520 200.7501 559554.8967 -3.1746 -3.1726 PRESSURE: 1530400 -96.8166 -13.4536 -87.7064 -13.4547 -162.566 64.9149 -87.7054 64.9171 232.626 GPRESSURE: 1530400 -28.0682 -10.2444 -64.812 -23.8285 -118.77 108.728 -112.234 102.881 227.172 PRESSAVG: 1530400 -86.0978 -50.8246 -1.9839 -50.8245 -1.14169 13.3903 -1.98386 13.3902 79.0648 GPRESSAVG: 1530400 -88.0406 -49.8097 -0.836543 -51.5788 -0.991927 13.1519 -0.932861 10.8546 80.8916 TIMING: 1530400 CPU: 4567.5, 0.00298938/step Wall: 4567.5, 0.00298938/step, 2.88109 hours remaining, 206.507812 MB of memory in use. ENERGY: 1530400 775.8205 2057.1340 1916.4876 105.5507 -206046.5792 17958.9547 0.0000 0.0000 34232.2697 -149000.3619 298.9589 -183232.6316 -148905.6226 299.9691 -8.9190 26.7780 558965.2530 -2.7249 -2.7136 PRESSURE: 1530600 63.8244 137.254 143.622 137.253 -7.37257 56.8644 143.621 56.8648 -101.51 GPRESSURE: 1530600 125.245 149.155 154.764 208.013 41.3821 116.786 115.627 41.651 -120.545 PRESSAVG: 1530600 -79.052 6.75676 -10.0805 6.75671 23.5695 -37.5142 -10.0805 -37.5143 61.8583 GPRESSAVG: 1530600 -77.457 6.59239 -9.55148 5.71354 24.1984 -36.8058 -13.1402 -36.4139 59.7924 TIMING: 1530600 CPU: 4568.1, 0.00300477/step Wall: 4568.1, 0.00300477/step, 2.89576 hours remaining, 206.507812 MB of memory in use. ENERGY: 1530600 739.9311 2058.4349 1917.8606 113.8051 -206138.7821 17775.9438 0.0000 0.0000 34734.4628 -148798.3437 303.3447 -183532.8065 -148700.7880 299.8906 -15.0194 15.3607 557570.1158 2.1253 2.1779 PRESSURE: 1530800 -298.037 31.2957 12.6628 31.2962 73.2772 21.7703 12.6637 21.7699 -22.0359 GPRESSURE: 1530800 -220.186 15.0696 -14.0695 31.3905 64.3057 -23.0463 39.762 26.2996 11.4172 PRESSAVG: 1530800 -49.4831 27.4939 20.2096 27.4938 23.8019 -36.0374 20.2096 -36.0374 25.0382 GPRESSAVG: 1530800 -49.8865 27.3498 19.0592 28.8158 23.3742 -35.9774 21.8541 -35.1817 25.8675 TIMING: 1530800 CPU: 4568.71, 0.00302096/step Wall: 4568.71, 0.00302096/step, 2.9112 hours remaining, 206.507812 MB of memory in use. ENERGY: 1530800 725.3992 2066.1527 1941.0729 123.3616 -205979.1253 17696.7592 0.0000 0.0000 34513.7202 -148912.6595 301.4169 -183426.3797 -148819.5900 300.5667 -82.2652 -48.1545 557263.9670 -0.2143 -0.2150 PRESSURE: 1531000 -161.547 24.33 88.8997 24.3291 -270.417 8.52077 88.8992 8.52005 -192.405 GPRESSURE: 1531000 -76.9132 -49.4823 53.7279 87.7234 -270.918 12.1739 84.6282 59.5099 -162.587 PRESSAVG: 1531000 5.63951 -4.82926 27.4543 -4.82927 -15.4302 6.31318 27.4543 6.31309 30.014 GPRESSAVG: 1531000 5.32288 -4.00986 24.6011 -6.28864 -16.3562 4.45801 28.942 8.70287 31.6791 TIMING: 1531000 CPU: 4569.32, 0.00303167/step Wall: 4569.32, 0.00303167/step, 2.92135 hours remaining, 206.507812 MB of memory in use. ENERGY: 1531000 787.3028 2080.2922 1933.2759 108.9297 -205481.4026 17383.9079 0.0000 0.0000 34410.8482 -148776.8460 300.5185 -183187.6942 -148676.3899 300.7681 -208.1232 -170.1394 558225.1013 6.7411 6.8819 PRESSURE: 1531200 299.955 97.4619 74.6568 97.4623 -172.287 -48.3505 74.658 -48.3512 131.762 GPRESSURE: 1531200 310.891 155.637 111.428 91.6551 -117.787 51.7803 -6.91756 -52.3569 161.286 PRESSAVG: 1531200 26.1981 15.1845 58.5041 15.1846 -80.2994 26.2696 58.5041 26.2697 39.2789 GPRESSAVG: 1531200 25.9869 13.2758 62.1752 16.4415 -79.9822 29.5366 54.3657 24.1271 38.7531 TIMING: 1531200 CPU: 4569.92, 0.0030241/step Wall: 4569.92, 0.0030241/step, 2.91389 hours remaining, 206.507812 MB of memory in use. ENERGY: 1531200 793.1714 2032.1314 1929.3676 107.3877 -206022.2042 17804.7361 0.0000 0.0000 34551.0689 -148804.3411 301.7431 -183355.4100 -148707.1284 300.6914 86.4769 118.1303 558054.8525 -4.9408 -5.0808 PRESSURE: 1531400 -315.757 -60.9901 125.047 -60.9899 99.4566 -173.046 125.047 -173.045 -294.948 GPRESSURE: 1531400 -290.063 -84.377 162.003 -107.107 116.44 -202.746 86.8358 -90.197 -243.663 PRESSAVG: 1531400 38.8983 54.3906 61.7043 54.3906 -75.287 -2.92447 61.7043 -2.92439 34.117 GPRESSAVG: 1531400 39.2658 52.9367 60.5352 54.5237 -75.6988 -5.01462 65.2891 -1.66173 34.0244 TIMING: 1531400 CPU: 4570.52, 0.00299678/step Wall: 4570.52, 0.00299678/step, 2.8874 hours remaining, 206.507812 MB of memory in use. ENERGY: 1531400 758.8126 2018.0486 1953.1467 110.0139 -205572.8188 17502.3266 0.0000 0.0000 34432.2632 -148798.2072 300.7055 -183230.4704 -148690.5374 300.9325 -170.4160 -139.0953 559215.7519 -0.7572 -0.8029 PRESSURE: 1531600 -368.966 6.72661 53.191 6.7275 -307.318 -117.223 53.1911 -117.222 -141.317 GPRESSURE: 1531600 -337.396 33.22 -8.18759 -45.435 -286.78 -189.496 116.499 -33.0354 -91.5183 PRESSAVG: 1531600 -18.0011 16.7608 60.9755 16.7607 -29.2795 -20.8106 60.9753 -20.8105 54.2986 GPRESSAVG: 1531600 -16.5898 18.9756 61.9475 15.6987 -29.6147 -19.6068 60.6328 -22.5694 53.2378 TIMING: 1531600 CPU: 4571.12, 0.00300257/step Wall: 4571.12, 0.00300257/step, 2.89281 hours remaining, 206.507812 MB of memory in use. ENERGY: 1531600 786.5494 2130.3339 1948.7645 103.3775 -206056.8858 17679.8696 0.0000 0.0000 34494.2937 -148913.6971 301.2472 -183407.9909 -148811.8776 300.6191 -272.5337 -238.5649 558439.1989 2.3393 2.3444 PRESSURE: 1531800 -375.476 116.372 23.4374 116.373 97.2401 151.692 23.4384 151.694 -270.907 GPRESSURE: 1531800 -330.259 111.267 56.4658 111.7 168.685 67.2338 -49.4236 201.751 -295.819 PRESSAVG: 1531800 19.4531 41.7274 78.6126 41.7273 -4.32377 -28.5965 78.6125 -28.5965 10.6525 GPRESSAVG: 1531800 19.2424 42.699 77.4254 41.0333 -3.82539 -31.4959 78.4336 -26.7434 10.8087 TIMING: 1531800 CPU: 4571.72, 0.00299119/step Wall: 4571.72, 0.00299119/step, 2.88168 hours remaining, 206.507812 MB of memory in use. ENERGY: 1531800 747.8189 2154.6766 1942.7696 123.3801 -205617.9726 17419.8241 0.0000 0.0000 34216.7744 -149012.7288 298.8236 -183229.5032 -148923.1698 299.7778 -183.0477 -152.4646 558523.5543 8.5940 8.7419 PRESSURE: 1532000 -12.6037 -61.0271 -152.274 -61.0273 45.7039 43.4334 -152.274 43.4325 60.9717 GPRESSURE: 1532000 -27.0113 -198.411 -98.849 75.9807 64.7951 67.7018 -75.5633 54.8255 163.48 PRESSAVG: 1532000 36.0266 -42.4393 -55.2223 -42.4393 -21.2739 20.9509 -55.2223 20.9509 3.20738 GPRESSAVG: 1532000 35.6996 -46.7604 -54.0406 -39.6738 -19.5233 24.0784 -55.1507 19.9711 2.38225 TIMING: 1532000 CPU: 4572.31, 0.00297763/step Wall: 4572.31, 0.00297762/step, 2.86845 hours remaining, 206.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1532000 740.5975 2142.5684 1918.7584 107.6240 -206124.0023 17742.2926 0.0000 0.0000 34310.9034 -149161.2580 299.6457 -183472.1615 -149060.6299 299.4639 31.3573 67.0880 556719.1888 5.9867 6.1862 PRESSURE: 1532200 130.846 -78.0985 -121.211 -78.0997 259.868 122.915 -121.21 122.913 127.943 GPRESSURE: 1532200 176.474 -139.578 -77.3568 -45.3394 281.442 46.6368 -126.735 157.929 155.096 PRESSAVG: 1532200 11.0926 -28.1143 -29.2979 -28.1142 -8.53025 -2.98106 -29.2978 -2.98114 -12.2422 GPRESSAVG: 1532200 11.0651 -25.5483 -29.2869 -31.6473 -9.82957 -2.2291 -29.8355 -4.34608 -10.6296 TIMING: 1532200 CPU: 4572.91, 0.00297723/step Wall: 4572.91, 0.00297723/step, 2.8679 hours remaining, 206.507812 MB of memory in use. ENERGY: 1532200 705.6495 2129.3147 1940.6713 110.1838 -206272.6443 17898.2536 0.0000 0.0000 34239.9028 -149248.6686 299.0256 -183488.5714 -149151.1486 298.9724 172.8855 204.3374 556466.9991 -3.2266 -3.1314 LDB: ============= START OF LOAD BALANCING ============== 4576.46 LDB: ============== END OF LOAD BALANCING =============== 4576.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4576.46 LDB: ============= START OF LOAD BALANCING ============== 4576.76 LDB: Largest compute 4772 load 0.026063 is 22.1% of average load 0.118103 LDB: Average compute 0.001734 is 1.5% of average load 0.118103 LDB: TIME 4576.76 LOAD: AVG 0.118103 MAX 0.210116 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 4576.76 LOAD: AVG 0.118103 MAX 0.210116 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.488 MB LDB: TIME 4576.76 LOAD: AVG 0.118103 MAX 0.210116 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4576.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4576.77 PRESSURE: 1532400 -177.931 -37.687 13.4684 -37.6872 25.9451 -2.29815 13.4689 -2.29712 112.213 GPRESSURE: 1532400 -192.725 -18.2831 15.0643 -74.6372 101.846 -52.0973 -29.6423 7.68111 136.22 PRESSAVG: 1532400 -15.7128 -4.63608 47.663 -4.63607 49.0939 33.5419 47.6631 33.542 -38.6438 GPRESSAVG: 1532400 -15.0628 -5.43435 47.6072 -2.77279 50.1789 33.4031 48.0029 33.3551 -40.0405 TIMING: 1532400 CPU: 4573.52, 0.00304273/step Wall: 4573.52, 0.00304273/step, 2.93082 hours remaining, 207.484375 MB of memory in use. ENERGY: 1532400 728.5224 2120.1367 1943.8750 117.7046 -205989.4410 17593.2135 0.0000 0.0000 34262.1045 -149223.8843 299.2195 -183485.9888 -149125.8545 299.3063 -13.2574 15.1137 556131.8683 -1.7542 -1.6414 PRESSURE: 1532600 91.525 -115.961 -68.193 -115.96 -41.8761 -21.6856 -68.1933 -21.6854 -100.021 GPRESSURE: 1532600 152.94 -141.133 -90.0102 -139.026 6.12182 -19.2299 -24.7274 -33.7895 -94.9293 PRESSAVG: 1532600 -37.839 25.8992 -21.9196 25.8993 41.154 14.2083 -21.9196 14.2083 -9.97997 GPRESSAVG: 1532600 -39.4015 28.0855 -22.2599 24.9895 40.15 13.9645 -23.2515 14.638 -6.98061 TIMING: 1532600 CPU: 4574.11, 0.00298415/step Wall: 4574.11, 0.00298415/step, 2.87424 hours remaining, 207.484375 MB of memory in use. ENERGY: 1532600 741.5016 2104.9403 1910.7986 119.8953 -206026.5230 17711.2096 0.0000 0.0000 34174.0920 -149264.0856 298.4508 -183438.1776 -149165.7262 298.5105 -16.7908 21.3774 556603.5683 -2.2216 -2.0774 PRESSURE: 1532800 62.865 -278.143 -59.3474 -278.144 57.1246 83.7369 -59.3465 83.7365 -13.7158 GPRESSURE: 1532800 119.143 -259.359 -72.6969 -227.476 55.0679 50.8708 -91.8414 174.818 38.8986 PRESSAVG: 1532800 6.85998 -14.5691 10.3095 -14.569 35.6777 -56.7557 10.3094 -56.7557 3.3503 GPRESSAVG: 1532800 7.24479 -16.2523 8.89676 -14.6105 37.0794 -56.4634 11.721 -59.2378 1.60724 TIMING: 1532800 CPU: 4574.72, 0.00301959/step Wall: 4574.72, 0.00301959/step, 2.9082 hours remaining, 207.484375 MB of memory in use. ENERGY: 1532800 737.4831 2115.9834 1914.5541 118.7081 -206403.9937 17902.9775 0.0000 0.0000 34385.8004 -149228.4872 300.2997 -183614.2875 -149128.2942 299.1183 35.4246 71.0365 556608.5241 15.2960 15.3105 PRESSURE: 1533000 -244.339 -66.9603 15.3379 -66.9611 271.467 30.1746 15.3378 30.1756 -155.044 GPRESSURE: 1533000 -274.023 -143.769 -13.7897 -17.2495 285.241 60.5991 68.4686 17.9847 -36.236 PRESSAVG: 1533000 -51.2657 -54.0046 -17.2342 -54.0047 6.66418 2.12685 -17.2343 2.12689 -13.8827 GPRESSAVG: 1533000 -50.5499 -53.37 -18.5451 -53.0064 5.86475 0.202099 -16.6138 6.62156 -13.4734 TIMING: 1533000 CPU: 4575.32, 0.0030156/step Wall: 4575.32, 0.0030156/step, 2.90419 hours remaining, 207.484375 MB of memory in use. ENERGY: 1533000 757.1115 2109.9023 1942.7544 96.9327 -206253.7532 17804.9521 0.0000 0.0000 34235.4878 -149306.6125 298.9870 -183542.1002 -149218.2505 299.5848 -42.6388 -8.3392 556891.5713 -19.4947 -19.3862 PRESSURE: 1533200 94.0107 21.5665 46.3785 21.5675 -183.228 37.1425 46.378 37.1428 201.888 GPRESSURE: 1533200 130.498 13.3625 -6.11068 -2.68779 -165.194 51.6544 54.7058 61.9001 243.833 PRESSAVG: 1533200 26.1782 19.8824 85.8159 19.8823 -39.4523 7.1018 85.8158 7.10177 26.5079 GPRESSAVG: 1533200 25.1335 18.366 85.8977 20.8105 -39.2704 7.62802 86.7218 7.14778 27.6614 TIMING: 1533200 CPU: 4575.92, 0.00299295/step Wall: 4575.92, 0.00299295/step, 2.88221 hours remaining, 207.484375 MB of memory in use. ENERGY: 1533200 710.7621 2093.6544 1937.6246 106.9111 -206405.7955 17769.9338 0.0000 0.0000 34282.9950 -149503.9144 299.4019 -183786.9094 -149406.4764 299.2982 37.5570 69.7124 553960.6801 4.4113 4.5082 PRESSURE: 1533400 -499.535 73.6259 -153.139 73.6266 -154.55 130.474 -153.139 130.475 -47.4645 GPRESSURE: 1533400 -503.658 122.275 -172.534 64.1162 -74.3297 95.2943 -28.6696 115.857 -23.4772 PRESSAVG: 1533400 39.392 52.3264 41.1931 52.3264 -18.2022 -51.6345 41.193 -51.6344 2.32717 GPRESSAVG: 1533400 40.708 53.272 41.8868 51.3768 -17.2754 -50.034 39.6588 -54.381 -0.301148 TIMING: 1533400 CPU: 4576.52, 0.00299143/step Wall: 4576.52, 0.00299143/step, 2.88058 hours remaining, 207.484375 MB of memory in use. ENERGY: 1533400 775.1662 2162.0260 1932.2177 110.0860 -206014.4402 17524.8618 0.0000 0.0000 34244.6303 -149265.4523 299.0669 -183510.0826 -149164.3540 298.8829 -233.8498 -200.4883 555791.4630 7.8390 7.7105 PRESSURE: 1533600 -3.53543 -103.166 22.7656 -103.167 -260.741 -149.294 22.7661 -149.294 -54.1238 GPRESSURE: 1533600 -12.4707 -105.848 -15.7013 -131.83 -166.142 -135.141 35.3044 -183.674 -44.5846 PRESSAVG: 1533600 -69.5697 16.4604 -95.9441 16.4605 17.0061 4.41199 -95.9441 4.41198 78.6125 GPRESSAVG: 1533600 -69.8177 16.2814 -94.8668 15.3883 15.8192 1.92795 -96.2973 8.32834 80.0193 TIMING: 1533600 CPU: 4577.11, 0.00297692/step Wall: 4577.11, 0.00297692/step, 2.86645 hours remaining, 207.484375 MB of memory in use. ENERGY: 1533600 762.7471 2154.1656 1903.4634 116.1054 -206098.4336 17617.3666 0.0000 0.0000 34202.9780 -149341.6075 298.7031 -183544.5854 -149245.1519 299.2006 -106.1333 -74.3991 555818.8360 8.6830 8.6736 PRESSURE: 1533800 -170.994 -9.72329 95.6639 -9.72304 -123.7 -39.4101 95.6633 -39.4096 -23.6368 GPRESSURE: 1533800 -131.996 75.0934 65.5433 -68.0716 -82.8437 -105.325 109.328 19.6975 -0.0250781 PRESSAVG: 1533800 30.7666 -7.93355 -82.9103 -7.93354 7.07882 -5.66593 -82.9103 -5.66592 -12.9577 GPRESSAVG: 1533800 30.6042 -6.57958 -83.3067 -7.62163 7.89226 -4.149 -82.0324 -7.82913 -13.8521 TIMING: 1533800 CPU: 4577.71, 0.00295885/step Wall: 4577.71, 0.00295885/step, 2.84888 hours remaining, 207.484375 MB of memory in use. ENERGY: 1533800 742.4908 2040.4980 1930.6785 111.7938 -205862.4704 17513.9723 0.0000 0.0000 34296.1335 -149226.9034 299.5167 -183523.0370 -149130.9986 299.4423 -106.1102 -71.6215 556408.9494 8.2959 8.2148 PRESSURE: 1534000 176.917 -157.562 153.946 -157.562 137.928 45.8427 153.947 45.8435 17.638 GPRESSURE: 1534000 193.37 -129.766 240.651 -137.045 158.379 24.8603 77.4327 9.36414 81.0292 PRESSAVG: 1534000 10.1438 -5.66801 -23.9333 -5.66802 -39.4196 -16.9873 -23.9333 -16.9873 54.4064 GPRESSAVG: 1534000 9.44294 -7.49565 -23.3866 -4.06051 -40.2078 -14.706 -23.6518 -18.8669 55.4457 TIMING: 1534000 CPU: 4578.3, 0.00296639/step Wall: 4578.3, 0.00296639/step, 2.85597 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1534000 714.0570 2080.6936 1919.1149 112.4268 -206100.0916 17796.7847 0.0000 0.0000 34051.7470 -149425.2676 297.3824 -183477.0146 -149321.7545 298.7438 110.8276 144.2594 556018.0086 8.3769 8.2269 PRESSURE: 1534200 -196.134 -2.59678 159.226 -2.59548 43.7543 117.292 159.226 117.291 -88.9182 GPRESSURE: 1534200 -146.197 -36.7495 180.475 0.764078 51.864 11.8309 222.932 110.838 -61.7484 PRESSAVG: 1534200 74.1199 -17.316 9.93568 -17.316 -70.563 23.6689 9.93561 23.6688 28.5686 GPRESSAVG: 1534200 74.9656 -15.653 8.62966 -17.5595 -70.2895 22.6234 9.21861 23.7532 27.348 TIMING: 1534200 CPU: 4578.89, 0.00296184/step Wall: 4578.89, 0.00296184/step, 2.85143 hours remaining, 207.484375 MB of memory in use. ENERGY: 1534200 739.5840 2105.7266 1926.4457 118.0104 -206434.6528 17777.0998 0.0000 0.0000 34480.9919 -149286.7946 301.1311 -183767.7864 -149189.1443 299.3257 -80.4327 -52.0271 556250.2337 10.7085 10.6747 PRESSURE: 1534400 -157.638 -112.695 127.298 -112.693 103.688 -126.217 127.297 -126.217 -235.903 GPRESSURE: 1534400 -121.941 -158.973 123.368 -185.191 167.895 -120.5 106.661 -135.431 -238.856 PRESSAVG: 1534400 -51.737 3.67853 -2.04902 3.67854 58.5551 20.6065 -2.04905 20.6065 -16.7585 GPRESSAVG: 1534400 -51.6614 3.09927 -3.05603 0.861061 59.8214 16.0865 -2.05426 23.6213 -17.5093 TIMING: 1534400 CPU: 4579.49, 0.00297504/step Wall: 4579.49, 0.00297504/step, 2.86397 hours remaining, 207.484375 MB of memory in use. ENERGY: 1534400 784.2423 2100.8222 1957.4839 112.5902 -205976.6175 17576.4364 0.0000 0.0000 34299.4332 -149145.6092 299.5455 -183445.0425 -149049.5082 299.4907 -96.6174 -64.3006 556167.5652 -3.3135 -3.1164 PRESSURE: 1534600 164.294 -252.038 -21.3564 -252.038 193.048 19.8197 -21.3547 19.8212 -10.0013 GPRESSURE: 1534600 201.254 -306.342 -21.4062 -159.334 263.225 85.6851 -77.413 8.05141 -11.2352 PRESSAVG: 1534600 -18.2938 -49.356 -11.8778 -49.356 64.2138 36.9817 -11.8777 36.9819 -19.3858 GPRESSAVG: 1534600 -19.6113 -50.0571 -9.88171 -46.0644 64.8764 40.699 -12.0496 34.1969 -18.7907 TIMING: 1534600 CPU: 4580.08, 0.00298006/step Wall: 4580.08, 0.00298006/step, 2.86863 hours remaining, 207.484375 MB of memory in use. ENERGY: 1534600 752.9879 2090.8512 1915.5364 125.0535 -206775.7163 18119.5738 0.0000 0.0000 34493.7992 -149277.9143 301.2429 -183771.7135 -149185.4071 299.7868 115.7802 151.0812 557395.5266 8.8447 8.8248 PRESSURE: 1534800 55.589 173.288 -137.201 173.288 -175.831 104.401 -137.202 104.399 -134.028 GPRESSURE: 1534800 25.1139 93.0328 -128.513 240.553 -111.882 23.436 -181.381 143.722 -79.5419 PRESSAVG: 1534800 -26.5262 -16.6301 -49.5254 -16.6301 25.4387 11.0446 -49.5253 11.0447 -6.78425 GPRESSAVG: 1534800 -25.4207 -17.2318 -52.4939 -17.8437 24.5404 11.2912 -46.4508 11.5995 -7.06647 TIMING: 1534800 CPU: 4580.68, 0.00297278/step Wall: 4580.68, 0.00297278/step, 2.86147 hours remaining, 207.484375 MB of memory in use. ENERGY: 1534800 717.9753 2146.8307 1937.3166 124.7711 -205899.8396 17695.1043 0.0000 0.0000 34131.9644 -149145.8772 298.0829 -183277.8416 -149052.1691 299.1446 -84.7566 -55.4365 558872.7132 -2.6239 -2.6489 PRESSURE: 1535000 250.477 -94.3049 36.7165 -94.304 69.8358 -57.0074 36.7162 -57.0061 -103.578 GPRESSURE: 1535000 261.174 -9.50145 -54.6847 -93.9328 117.972 70.8263 68.0955 -133.177 -65.3272 PRESSAVG: 1535000 -1.30812 -11.2855 7.55862 -11.2855 -22.4354 14.8883 7.5586 14.8884 -15.7416 GPRESSAVG: 1535000 -2.49297 -9.89625 8.89108 -11.3295 -22.0129 15.5257 3.00038 14.8268 -14.6195 TIMING: 1535000 CPU: 4581.28, 0.00301431/step Wall: 4581.28, 0.00301431/step, 2.90127 hours remaining, 207.484375 MB of memory in use. ENERGY: 1535000 716.0370 2095.9799 1951.6876 110.0010 -206329.6670 17928.6214 0.0000 0.0000 34513.7555 -149013.5846 301.4172 -183527.3400 -148917.4436 298.7077 72.2448 104.6064 558596.7042 -13.1617 -13.0418 PRESSURE: 1535200 -104.224 88.4746 -20.354 88.4747 -178.362 -93.1249 -20.3551 -93.1257 47.5462 GPRESSURE: 1535200 -73.8158 136.933 27.7642 58.5979 -111.126 -139.995 -35.0345 -83.9944 49.7438 PRESSAVG: 1535200 25.0033 30.4952 -8.99008 30.4952 -35.4502 -18.5153 -8.99005 -18.5153 -35.45 GPRESSAVG: 1535200 25.6562 30.314 -8.15843 30.9899 -35.5996 -19.7563 -7.9778 -18.0121 -35.2852 TIMING: 1535200 CPU: 4581.88, 0.0029863/step Wall: 4581.88, 0.0029863/step, 2.87415 hours remaining, 207.484375 MB of memory in use. ENERGY: 1535200 744.1919 2059.3930 1904.2874 111.1952 -205767.5981 17601.1875 0.0000 0.0000 34551.4489 -148795.8943 301.7464 -183347.3432 -148693.0427 300.1529 -78.3467 -45.0659 558767.7430 -15.2990 -15.0762 PRESSURE: 1535400 -39.9208 136.057 -44.8692 136.057 38.6825 74.3785 -44.871 74.3775 50.4332 GPRESSURE: 1535400 2.00843 118.789 -12.4229 104.632 43.2801 36.7049 -30.5994 39.0295 106.422 PRESSAVG: 1535400 34.1642 36.3578 8.73475 36.3578 -38.6594 65.6426 8.7348 65.6427 0.613879 GPRESSAVG: 1535400 33.8951 34.1841 6.94784 37.481 -38.6551 65.664 8.96314 65.5528 0.689723 TIMING: 1535400 CPU: 4582.47, 0.00296565/step Wall: 4582.47, 0.00296565/step, 2.85411 hours remaining, 207.484375 MB of memory in use. ENERGY: 1535400 760.8187 2029.1582 1915.4533 126.4279 -205993.8977 17746.2223 0.0000 0.0000 34559.2962 -148856.5212 301.8149 -183415.8174 -148749.2519 299.7311 16.3983 50.5702 556642.8760 -1.2938 -1.3568 PRESSURE: 1535600 119.844 46.4659 32.6878 46.4658 65.131 44.2944 32.6898 44.2934 -69.1251 GPRESSURE: 1535600 161.283 -4.57251 -29.2272 57.3973 54.827 130.706 63.3892 74.0552 -9.37992 PRESSAVG: 1535600 33.8215 42.275 -12.6542 42.275 -32.2603 -10.1945 -12.6542 -10.1945 -3.33247 GPRESSAVG: 1535600 33.3352 43.3733 -11.3343 41.5593 -31.6667 -9.47187 -13.0146 -10.3218 -3.51603 TIMING: 1535600 CPU: 4583.06, 0.00297254/step Wall: 4583.06, 0.00297254/step, 2.86057 hours remaining, 207.484375 MB of memory in use. ENERGY: 1535600 747.0468 2085.1947 1924.5608 111.4519 -205817.7495 17742.5180 0.0000 0.0000 34452.0957 -148754.8816 300.8787 -183206.9773 -148667.1838 300.4062 38.6165 68.9101 558142.3810 -0.5904 -0.6159 PRESSURE: 1535800 -92.1658 74.8835 -23.2065 74.8838 -58.2913 -121.863 -23.2063 -121.863 -137.056 GPRESSURE: 1535800 -39.5333 97.0327 34.0143 40.7987 -39.2873 -79.5783 -67.321 -183.395 -112.227 PRESSAVG: 1535800 57.7085 16.648 -10.9869 16.648 -28.8412 10.9785 -10.987 10.9783 -74.9343 GPRESSAVG: 1535800 57.8695 16.7753 -12.3189 16.4623 -28.407 9.16199 -9.76999 11.1501 -75.808 TIMING: 1535800 CPU: 4583.66, 0.00297829/step Wall: 4583.66, 0.00297829/step, 2.86594 hours remaining, 207.484375 MB of memory in use. ENERGY: 1535800 801.1375 2127.8659 1893.1776 105.4323 -205837.3260 17704.7156 0.0000 0.0000 34476.3339 -148728.6631 301.0904 -183204.9970 -148624.1335 301.0643 -95.8378 -63.6825 558247.3745 -15.3557 -15.4485 PRESSURE: 1536000 -130.173 88.6372 -107.309 88.6378 91.7193 -47.9847 -107.307 -47.9851 -126.888 GPRESSURE: 1536000 -124.675 45.7141 -100.821 138.792 110.424 -68.1941 -104.334 -51.9467 -46.2911 PRESSAVG: 1536000 -31.8664 -3.16589 0.6352 -3.16589 4.22231 23.6541 0.635244 23.654 26.3589 GPRESSAVG: 1536000 -32.1427 -4.38354 1.30814 -1.85519 3.7372 25.2601 -0.70965 24.4666 26.9551 TIMING: 1536000 CPU: 4584.26, 0.00300262/step Wall: 4584.26, 0.00300262/step, 2.88919 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1536000 786.4664 2097.4727 1923.8041 98.2920 -205677.5396 17632.1839 0.0000 0.0000 34136.3294 -149002.9911 298.1211 -183139.3205 -148902.3334 299.9701 -55.1140 -20.1805 557062.8618 -0.4284 -0.4835 PRESSURE: 1536200 182.915 -56.2624 79.2142 -56.2608 40.5189 -159.605 79.2145 -159.606 -111.913 GPRESSURE: 1536200 183.208 -19.9015 164.555 -44.0658 80.8898 -186.073 63.4915 -132.7 -58.8384 PRESSAVG: 1536200 -22.0673 -15.8335 -43.6433 -15.8335 -4.75266 -12.2757 -43.6433 -12.2758 40.4685 GPRESSAVG: 1536200 -21.6243 -13.0974 -42.385 -19.4129 -5.23101 -14.4631 -45.6447 -10.4336 39.7346 TIMING: 1536200 CPU: 4584.86, 0.00300593/step Wall: 4584.86, 0.00300593/step, 2.8922 hours remaining, 207.484375 MB of memory in use. ENERGY: 1536200 761.6113 2096.5302 1947.0854 111.4658 -205977.0430 17697.7855 0.0000 0.0000 34313.5466 -149049.0183 299.6687 -183362.5648 -148951.9269 300.0573 37.1737 68.4197 556247.5780 4.5495 4.2931 LDB: ============= START OF LOAD BALANCING ============== 4588.41 LDB: ============== END OF LOAD BALANCING =============== 4588.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4588.41 LDB: ============= START OF LOAD BALANCING ============== 4588.72 LDB: Largest compute 4772 load 0.026173 is 22.1% of average load 0.118211 LDB: Average compute 0.001733 is 1.5% of average load 0.118211 LDB: TIME 4588.72 LOAD: AVG 0.118211 MAX 0.214359 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 4588.72 LOAD: AVG 0.118211 MAX 0.214359 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.488 MB LDB: TIME 4588.72 LOAD: AVG 0.118211 MAX 0.214359 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4588.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4588.73 PRESSURE: 1536400 4.54697 78.9363 145.469 78.9373 -3.01912 26.4026 145.471 26.4008 -416.072 GPRESSURE: 1536400 65.8558 129.708 126.821 69.906 -25.1703 54.2936 146.006 5.22993 -362.316 PRESSAVG: 1536400 0.640629 -9.32147 -23.4136 -9.32153 41.4258 -11.4446 -23.4137 -11.4446 -21.2457 GPRESSAVG: 1536400 -0.0945122 -8.80784 -22.3399 -8.97506 40.93 -11.0615 -21.3438 -12.5577 -20.141 TIMING: 1536400 CPU: 4585.48, 0.00307336/step Wall: 4585.48, 0.00307336/step, 2.95692 hours remaining, 208.058594 MB of memory in use. ENERGY: 1536400 764.8984 2131.2351 1927.7710 114.1013 -205683.2062 17588.7168 0.0000 0.0000 34249.1322 -148907.3513 299.1062 -183156.4836 -148812.9891 299.7197 -138.1812 -107.2101 556832.9555 6.9402 6.8981 PRESSURE: 1536600 -247.202 16.9212 -13.7759 16.9208 -70.5211 -8.21611 -13.7745 -8.21633 166.501 GPRESSURE: 1536600 -216.13 43.3934 15.9606 5.25471 -43.1694 84.5106 -7.74541 -64.0062 213.411 PRESSAVG: 1536600 -72.0852 18.8872 -16.4725 18.8871 66.9517 63.74 -16.4725 63.74 -14.8021 GPRESSAVG: 1536600 -71.3102 18.9398 -18.2741 20.1748 67.0457 64.7402 -14.9166 62.0631 -16.028 TIMING: 1536600 CPU: 4586.07, 0.00299149/step Wall: 4586.07, 0.00299149/step, 2.87798 hours remaining, 208.300781 MB of memory in use. ENERGY: 1536600 742.9992 2119.4130 1938.5942 111.3541 -205674.5234 17511.1610 0.0000 0.0000 34370.7127 -148880.2892 300.1680 -183251.0019 -148784.5597 300.3138 -50.4073 -15.2962 556763.9600 -6.6452 -6.7642 PRESSURE: 1536800 -27.2163 35.9275 120.143 35.9285 30.8307 -106.859 120.143 -106.86 -81.6676 GPRESSURE: 1536800 -61.5974 -6.32256 81.9457 81.6948 103.289 -123.216 55.0289 -164.825 -26.2356 PRESSAVG: 1536800 28.4148 19.9908 -28.4385 19.9908 22.1557 -10.6605 -28.4385 -10.6605 -11.9188 GPRESSAVG: 1536800 27.6138 19.3412 -27.6625 20.3985 22.2001 -11.4454 -30.4993 -10.0473 -11.3294 TIMING: 1536800 CPU: 4586.67, 0.00297929/step Wall: 4586.67, 0.00297929/step, 2.86608 hours remaining, 208.300781 MB of memory in use. ENERGY: 1536800 775.2376 2199.5234 1950.0487 118.3970 -206023.6994 17638.8905 0.0000 0.0000 34417.6900 -148923.9123 300.5782 -183341.6022 -148827.2284 301.2398 -26.0177 5.1521 555385.3477 12.8839 12.8282 PRESSURE: 1537000 -16.9809 -74.646 155.632 -74.646 147.021 122.814 155.631 122.814 -81.7862 GPRESSURE: 1537000 4.44512 -116.872 245.119 -78.6107 171.639 207.21 140.902 78.67 -32.7659 PRESSAVG: 1537000 -43.6271 -11.347 24.3764 -11.347 7.08235 7.44337 24.3765 7.44337 13.7581 GPRESSAVG: 1537000 -43.0088 -10.6256 23.7902 -11.9559 6.74928 7.67584 25.3804 7.99286 13.4803 TIMING: 1537000 CPU: 4587.27, 0.00297652/step Wall: 4587.27, 0.00297652/step, 2.86325 hours remaining, 208.300781 MB of memory in use. ENERGY: 1537000 696.4193 2083.6781 1945.6796 112.2547 -206035.1600 17606.3412 0.0000 0.0000 34411.5157 -149179.2713 300.5243 -183590.7871 -149092.0238 299.6902 16.0848 47.7726 555291.5796 -7.5956 -7.5931 PRESSURE: 1537200 129.79 -36.7125 -43.156 -36.7119 90.7369 -42.5841 -43.1549 -42.5839 -3.6453 GPRESSURE: 1537200 115.422 -65.0326 -56.9804 -77.7098 158.264 35.9067 -52.4646 -79.1853 42.948 PRESSAVG: 1537200 30.3344 1.04626 8.65876 1.04629 -24.8306 31.5437 8.65877 31.5436 -6.09028 GPRESSAVG: 1537200 30.8875 1.97999 7.74718 -1.06583 -24.9952 33.393 9.18014 28.7191 -6.501 TIMING: 1537200 CPU: 4587.87, 0.00300976/step Wall: 4587.87, 0.00300976/step, 2.89506 hours remaining, 208.300781 MB of memory in use. ENERGY: 1537200 749.5243 2140.6239 1942.9548 115.4692 -206054.5587 17774.3501 0.0000 0.0000 34136.5996 -149195.0369 298.1234 -183331.6364 -149095.1221 299.8657 72.2939 105.5445 554629.7992 -0.1955 -0.2029 PRESSURE: 1537400 -162.945 147.914 -73.847 147.914 71.8518 57.7518 -73.8473 57.7521 -294.046 GPRESSURE: 1537400 -89.9073 171.17 -77.9333 75.803 126.527 -12.2196 -12.7686 131.821 -320.921 PRESSAVG: 1537400 -22.3463 16.0015 -3.91949 16.0015 17.9352 19.0338 -3.91953 19.0339 7.785 GPRESSAVG: 1537400 -22.9747 16.4961 -4.78952 17.7133 17.979 18.0786 -2.56501 20.5487 7.94941 TIMING: 1537400 CPU: 4588.47, 0.00301945/step Wall: 4588.47, 0.00301945/step, 2.90421 hours remaining, 208.300781 MB of memory in use. ENERGY: 1537400 747.9554 2107.3311 1963.0851 118.3036 -205734.6678 17533.8287 0.0000 0.0000 34260.1804 -149003.9834 299.2027 -183264.1639 -148912.4333 299.7955 -128.3796 -94.7671 557748.9414 1.1246 0.9846 PRESSURE: 1537600 45.5942 -217.362 16.2595 -217.362 -122.926 88.7348 16.2597 88.7339 80.5668 GPRESSURE: 1537600 83.9364 -247.55 50.6407 -178.264 -63.61 36.6313 -2.13611 132.547 78.8575 PRESSAVG: 1537600 26.858 -39.8902 15.4605 -39.8903 -32.0682 71.9735 15.4606 71.9734 15.2863 GPRESSAVG: 1537600 26.1216 -39.4762 16.3616 -39.3853 -31.9925 73.0984 13.223 70.1307 16.3463 TIMING: 1537600 CPU: 4589.07, 0.00298973/step Wall: 4589.07, 0.00298973/step, 2.87546 hours remaining, 208.300781 MB of memory in use. ENERGY: 1537600 734.7905 2073.6802 1937.0747 113.4673 -205791.9524 17686.2377 0.0000 0.0000 34273.1711 -148973.5309 299.3161 -183246.7020 -148879.9835 299.8734 1.0784 33.0613 556635.5573 3.3587 3.4918 PRESSURE: 1537800 -181.793 29.0191 60.2143 29.0197 -25.9948 -48.8917 60.2147 -48.8901 102.137 GPRESSURE: 1537800 -112.09 26.343 94.969 -18.5497 -1.55059 -16.111 78.5584 -41.407 116.188 PRESSAVG: 1537800 23.2432 6.97837 4.53229 6.9785 -66.8939 -7.05297 4.53238 -7.05304 43.4719 GPRESSAVG: 1537800 23.0939 5.59191 5.34065 7.04697 -66.911 -10.5811 5.34085 -6.94702 43.4486 TIMING: 1537800 CPU: 4589.67, 0.00298001/step Wall: 4589.67, 0.00298001/step, 2.86594 hours remaining, 208.300781 MB of memory in use. ENERGY: 1537800 779.2325 2104.0191 1934.5575 120.9696 -206005.6507 17786.6676 0.0000 0.0000 34318.7940 -148961.4103 299.7146 -183280.2043 -148868.7553 299.7069 -35.2169 0.8490 557974.6149 -0.0596 -0.1229 PRESSURE: 1538000 7.88125 35.4636 26.1996 35.464 -177.772 49.6238 26.2008 49.6239 -48.1066 GPRESSURE: 1538000 37.528 95.1404 90.5263 89.7018 -175.111 166.995 50.8701 86.6566 16.7536 PRESSAVG: 1538000 18.3704 46.6927 36.8326 46.6927 -21.9899 39.5029 36.8325 39.503 16.3099 GPRESSAVG: 1538000 18.2485 47.2713 36.6142 47.1412 -21.7635 40.4022 36.0079 40.8658 16.1063 TIMING: 1538000 CPU: 4590.26, 0.00299561/step Wall: 4590.26, 0.00299561/step, 2.88078 hours remaining, 208.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1538000 782.9716 2060.2234 1923.6345 117.6333 -205940.0422 17765.9285 0.0000 0.0000 34269.0888 -149020.5622 299.2805 -183289.6510 -148920.9736 300.0307 -72.6657 -40.2766 558282.9073 4.2301 4.1971 PRESSURE: 1538200 -69.3518 15.1856 -129.929 15.1844 68.2545 -180.025 -129.928 -180.028 -142.966 GPRESSURE: 1538200 0.0321221 32.7469 -203.775 49.9191 97.3624 -218.485 -195.609 -65.1831 -140.823 PRESSAVG: 1538200 2.79154 32.7841 35.3619 32.7842 -32.5187 -32.7896 35.3619 -32.7896 8.12205 GPRESSAVG: 1538200 4.01807 32.4032 35.7388 32.571 -33.0302 -29.9172 34.1249 -33.2252 7.24595 TIMING: 1538200 CPU: 4590.86, 0.0029678/step Wall: 4590.86, 0.0029678/step, 2.85387 hours remaining, 208.300781 MB of memory in use. ENERGY: 1538200 776.2751 2159.8164 1949.1958 121.8364 -206166.9578 17773.5856 0.0000 0.0000 34257.8766 -149128.3719 299.1826 -183386.2485 -149026.5794 300.0239 -48.0210 -14.4761 558256.0487 -7.2017 -7.2554 PRESSURE: 1538400 73.5367 -149.278 40.6293 -149.278 -227.188 103.341 40.6288 103.343 -52.4352 GPRESSURE: 1538400 112.849 -131.088 79.5483 -75.6258 -234.377 89.013 21.4619 23.4734 3.82351 PRESSAVG: 1538400 22.748 -70.9589 -43.6672 -70.959 -19.414 -14.4674 -43.6672 -14.4674 6.98219 GPRESSAVG: 1538400 22.8464 -70.884 -43.0842 -72.4036 -19.8595 -14.3083 -43.6206 -15.4395 7.06425 TIMING: 1538400 CPU: 4591.45, 0.00297975/step Wall: 4591.45, 0.00297975/step, 2.8652 hours remaining, 208.300781 MB of memory in use. ENERGY: 1538400 769.0192 2027.1760 1944.1971 106.0346 -206222.4739 17801.2833 0.0000 0.0000 34530.2224 -149044.5413 301.5610 -183574.7636 -148945.7520 299.0440 -68.6954 -39.2350 557498.4758 3.4387 3.3504 PRESSURE: 1538600 -86.9296 -73.7566 23.0237 -73.7567 449.451 -15.7841 23.0239 -15.784 -140.932 GPRESSURE: 1538600 27.8411 -106.407 87.6072 -52.6221 451.025 -41.0671 31.1753 23.485 -160.137 PRESSAVG: 1538600 -68.8561 2.69607 16.1401 2.696 102.424 34.2036 16.1401 34.2036 -13.2689 GPRESSAVG: 1538600 -69.9818 3.03914 15.1356 3.32474 102.628 32.447 16.0103 37.3259 -12.6966 TIMING: 1538600 CPU: 4592.05, 0.00296726/step Wall: 4592.05, 0.00296726/step, 2.85302 hours remaining, 208.300781 MB of memory in use. ENERGY: 1538600 736.7395 2127.1347 1896.4475 117.5126 -206373.6570 17861.4436 0.0000 0.0000 34613.3163 -149021.0628 302.2867 -183634.3791 -148925.2666 300.4272 73.8634 106.2432 556145.9408 6.7663 6.6500 PRESSURE: 1538800 69.9247 -96.2306 12.857 -96.2311 25.821 112.07 12.8571 112.07 -488.397 GPRESSURE: 1538800 113.406 -150.417 9.46661 -157.679 33.1842 98.754 43.3738 53.0348 -440.605 PRESSAVG: 1538800 22.273 -26.8938 -5.48024 -26.8938 -1.06532 -39.1635 -5.48023 -39.1635 17.5678 GPRESSAVG: 1538800 21.9168 -28.1033 -5.30768 -26.7411 -1.05708 -37.0798 -4.94748 -41.9243 17.7259 TIMING: 1538800 CPU: 4592.65, 0.00302235/step Wall: 4592.65, 0.00302235/step, 2.90582 hours remaining, 208.300781 MB of memory in use. ENERGY: 1538800 772.0767 2097.5384 1948.9635 117.3496 -205835.2212 17712.4065 0.0000 0.0000 34276.1806 -148910.7060 299.3424 -183186.8866 -148806.7234 300.7671 -130.8837 -98.0049 558212.9379 12.9252 12.8619 PRESSURE: 1539000 28.6565 -38.5311 70.9713 -38.5299 -224.508 -99.1579 70.9706 -99.158 179.942 GPRESSURE: 1539000 40.6868 60.2385 178.595 -84.4933 -179.089 -118.45 109.254 -77.5153 230.504 PRESSAVG: 1539000 15.0574 3.47188 31.8302 3.47189 -20.5785 -57.5061 31.8302 -57.5061 29.7103 GPRESSAVG: 1539000 15.9627 5.20546 32.8775 3.89851 -20.9926 -59.8885 31.7754 -56.4689 29.4367 TIMING: 1539000 CPU: 4593.26, 0.00301473/step Wall: 4593.26, 0.00301473/step, 2.89833 hours remaining, 208.300781 MB of memory in use. ENERGY: 1539000 740.1939 2115.2068 1939.3750 101.7823 -206056.3992 17788.9414 0.0000 0.0000 34289.1207 -149081.7791 299.4554 -183370.8997 -148984.7499 300.4273 -5.3031 30.7005 556715.2529 8.0631 8.1356 PRESSURE: 1539200 166.623 -52.3691 28.2863 -52.369 -229.961 -55.8362 28.2854 -55.8357 6.92217 GPRESSURE: 1539200 177.454 20.7842 95.3913 -129.331 -111.755 -8.32712 55.6385 -4.35392 -11.0305 PRESSAVG: 1539200 71.2788 19.3083 11.4615 19.3082 -63.581 -9.00388 11.4616 -9.00389 -2.04677 GPRESSAVG: 1539200 69.9867 19.5679 11.5688 19.0978 -62.8464 -10.1319 10.0435 -8.9805 -1.80521 TIMING: 1539200 CPU: 4593.86, 0.00301287/step Wall: 4593.86, 0.00301287/step, 2.89637 hours remaining, 208.300781 MB of memory in use. ENERGY: 1539200 771.2905 2133.2675 1917.6179 111.8641 -205998.2514 17714.4453 0.0000 0.0000 34456.7571 -148893.0091 300.9194 -183349.7661 -148797.5986 300.5729 -18.8055 18.2227 557538.8184 1.8837 1.7784 PRESSURE: 1539400 -102.985 -56.2153 -16.9249 -56.2149 -38.9214 63.058 -16.9247 63.058 135.17 GPRESSURE: 1539400 -81.3499 -149.169 -86.3927 -101.059 -14.9372 86.7708 8.6247 31.929 178.293 PRESSAVG: 1539400 -65.8786 -13.9153 11.9968 -13.9153 65.4295 11.2616 11.9968 11.2616 -11.138 GPRESSAVG: 1539400 -65.1272 -15.7384 11.6518 -14.1674 65.2544 13.1234 13.0724 11.0203 -12.1763 TIMING: 1539400 CPU: 4594.46, 0.00299396/step Wall: 4594.46, 0.00299396/step, 2.87803 hours remaining, 208.300781 MB of memory in use. ENERGY: 1539400 748.3077 2116.1579 1892.1874 111.9748 -205965.5498 17811.0294 0.0000 0.0000 34463.5000 -148822.3926 300.9783 -183285.8926 -148730.1898 300.7645 -2.2455 27.3353 559947.0463 -3.8624 -4.0164 PRESSURE: 1539600 -57.3131 -10.6697 90.0728 -10.6693 -154.548 -104.423 90.0728 -104.423 163.024 GPRESSURE: 1539600 26.7512 67.1347 93.4245 -92.5951 -149.233 -192.857 47.7459 -100.05 172.503 PRESSAVG: 1539600 -29.5898 -50.3519 39.1206 -50.3519 47.8144 42.8616 39.1206 42.8617 23.0873 GPRESSAVG: 1539600 -27.763 -50.7136 38.7209 -50.7392 44.843 41.71 40.212 44.2032 23.8727 TIMING: 1539600 CPU: 4595.05, 0.00297609/step Wall: 4595.05, 0.00297609/step, 2.86068 hours remaining, 208.300781 MB of memory in use. ENERGY: 1539600 746.5086 2089.9314 1901.6566 104.9737 -205948.1546 17823.0099 0.0000 0.0000 34642.3108 -148639.7636 302.5399 -183282.0743 -148535.8973 300.5753 -16.2790 16.6737 558024.6250 13.7706 13.6509 PRESSURE: 1539800 113.301 -148.983 -10.6976 -148.982 -64.5726 12.5903 -10.6967 12.5897 211.154 GPRESSURE: 1539800 138.717 -62.2146 -56.8978 -214.64 22.0129 0.381529 53.5698 -19.8211 201.971 PRESSAVG: 1539800 -18.4025 -24.0524 -2.09874 -24.0524 -52.1084 -14.951 -2.09878 -14.9512 31.944 GPRESSAVG: 1539800 -20.2 -23.4853 -0.581113 -22.7816 -49.5279 -15.3394 -1.29982 -15.0155 31.3124 TIMING: 1539800 CPU: 4595.65, 0.0029882/step Wall: 4595.65, 0.0029882/step, 2.87216 hours remaining, 208.300781 MB of memory in use. ENERGY: 1539800 760.1864 2102.6646 1932.4671 123.7774 -205721.5761 17856.5106 0.0000 0.0000 34207.4442 -148738.5258 298.7421 -182945.9700 -148647.1313 300.8846 86.6275 120.9004 558531.6003 -12.8556 -12.8052 PRESSURE: 1540000 -23.9525 -90.7378 -19.8698 -90.7381 87.1132 201.376 -19.8694 201.376 -350.514 GPRESSURE: 1540000 -63.1784 -18.6999 -68.1338 -194.381 119.19 232.558 95.8461 256.629 -252.785 PRESSAVG: 1540000 76.4219 -51.7587 16.2206 -51.7586 30.5677 39.6385 16.2207 39.6386 -89.0395 GPRESSAVG: 1540000 76.0001 -49.3627 13.7951 -54.663 31.3727 40.4474 15.3889 39.7287 -89.3618 TIMING: 1540000 CPU: 4596.25, 0.00299844/step Wall: 4596.25, 0.00299844/step, 2.88184 hours remaining, 208.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1540000 745.6932 2131.9517 1935.9222 124.6896 -205726.2790 17575.2184 0.0000 0.0000 34366.7462 -148846.0577 300.1333 -183212.8039 -148745.7424 300.1947 -95.7844 -65.5911 557994.3652 5.9834 6.0036 PRESSURE: 1540200 55.9106 -20.2684 36.7184 -20.268 20.2155 -42.4767 36.719 -42.4768 72.4553 GPRESSURE: 1540200 102.442 16.7465 92.1449 -15.3298 68.3874 -13.3765 69.15 -17.3267 74.2167 PRESSAVG: 1540200 39.6099 35.8701 27.3818 35.87 -1.09582 1.97492 27.3818 1.97495 -36.0924 GPRESSAVG: 1540200 39.8738 33.5666 27.7271 37.161 -2.14645 4.52056 27.7602 -0.434481 -35.3243 TIMING: 1540200 CPU: 4596.85, 0.00299921/step Wall: 4596.85, 0.00299921/step, 2.88241 hours remaining, 208.300781 MB of memory in use. ENERGY: 1540200 739.5097 2102.9253 1941.8567 105.5803 -206324.3690 17896.2788 0.0000 0.0000 34691.9674 -148846.2508 302.9736 -183538.2182 -148748.5300 299.9643 49.5272 81.6821 557433.1394 0.8072 0.8010 LDB: ============= START OF LOAD BALANCING ============== 4600.4 LDB: ============== END OF LOAD BALANCING =============== 4600.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4600.4 LDB: ============= START OF LOAD BALANCING ============== 4600.7 LDB: Largest compute 4773 load 0.025902 is 21.9% of average load 0.118142 LDB: Average compute 0.001736 is 1.5% of average load 0.118142 LDB: TIME 4600.71 LOAD: AVG 0.118142 MAX 0.210173 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 4600.71 LOAD: AVG 0.118142 MAX 0.210173 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: TIME 4600.71 LOAD: AVG 0.118142 MAX 0.210173 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: ============== END OF LOAD BALANCING =============== 4600.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4600.71 PRESSURE: 1540400 -139.935 -69.6833 -37.4397 -69.684 -114.254 -74.4725 -37.4396 -74.4739 -197.426 GPRESSURE: 1540400 -76.89 -70.1931 4.795 -131.344 -139.957 -106.045 -116.891 -95.2086 -145.405 PRESSAVG: 1540400 75.4889 -11.5342 20.6171 -11.5341 -21.6852 -12.0825 20.6171 -12.0824 0.00170661 GPRESSAVG: 1540400 76.6549 -13.0142 21.0421 -10.1063 -20.3863 -13.9825 19.8778 -11.9299 -2.20556 TIMING: 1540400 CPU: 4597.46, 0.0030659/step Wall: 4597.46, 0.0030659/step, 2.94633 hours remaining, 207.484375 MB of memory in use. ENERGY: 1540400 770.8356 2128.8540 1919.5287 121.4135 -205803.4251 17687.0698 0.0000 0.0000 34120.0996 -149055.6238 297.9793 -183175.7234 -148958.9164 299.9621 -150.5384 -120.7508 558191.1824 17.9351 18.0210 PRESSURE: 1540600 -65.4797 73.8847 13.9894 73.8857 -81.5596 -114.139 13.9896 -114.138 29.4123 GPRESSURE: 1540600 -62.2151 105.79 99.4207 7.33705 -31.7182 -192.388 -23.1124 -78.0717 85.302 PRESSAVG: 1540600 29.5004 11.6102 -29.6491 11.6102 0.210621 -35.826 -29.6492 -35.8261 5.54028 GPRESSAVG: 1540600 28.7161 11.5607 -30.0251 12.3812 -0.209633 -34.9304 -29.4205 -37.1733 7.06796 TIMING: 1540600 CPU: 4598.06, 0.00300083/step Wall: 4598.06, 0.00300083/step, 2.88363 hours remaining, 207.484375 MB of memory in use. ENERGY: 1540600 787.5184 2132.9010 1921.6318 113.4296 -206365.6833 17993.8447 0.0000 0.0000 34461.6089 -148954.7490 300.9618 -183416.3578 -148857.6766 300.0795 -39.2090 -2.8771 559555.9366 11.7504 11.8582 PRESSURE: 1540800 22.1643 -39.5381 2.79643 -39.5375 -87.2968 46.7562 2.79712 46.7533 -197.886 GPRESSURE: 1540800 20.9828 -42.2176 10.8904 -75.8776 -44.3867 -19.5617 -13.5249 76.4113 -158.696 PRESSAVG: 1540800 -42.042 3.19283 18.2605 3.19283 28.6601 -8.53631 18.2605 -8.53644 6.42602 GPRESSAVG: 1540800 -41.886 2.78795 17.8211 0.833504 28.0602 -9.912 18.3926 -7.29098 6.29543 TIMING: 1540800 CPU: 4598.67, 0.00303321/step Wall: 4598.67, 0.00303321/step, 2.91458 hours remaining, 207.484375 MB of memory in use. ENERGY: 1540800 776.8731 2078.8649 1936.5889 111.2360 -205854.2697 17579.1624 0.0000 0.0000 34346.1079 -149025.4365 299.9531 -183371.5444 -148937.0626 299.7910 -87.6727 -60.7000 559210.7146 -2.3186 -2.5101 PRESSURE: 1541000 -327.721 48.6405 -176.277 48.6408 -270.466 25.9884 -176.276 25.9888 -348.263 GPRESSURE: 1541000 -308.45 -62.8082 -144.952 38.7698 -223.4 41.2075 -124.741 58.6923 -299.206 PRESSAVG: 1541000 -45.8086 -10.8544 -10.0397 -10.8543 40.0072 -26.5073 -10.0397 -26.5072 -1.175 GPRESSAVG: 1541000 -46.8048 -10.79 -9.06728 -9.53619 39.9709 -27.1654 -9.77402 -26.1893 0.165017 TIMING: 1541000 CPU: 4599.28, 0.00302957/step Wall: 4599.28, 0.00302957/step, 2.91091 hours remaining, 207.484375 MB of memory in use. ENERGY: 1541000 733.2511 2084.7474 1936.7857 112.3215 -205818.0079 17554.1362 0.0000 0.0000 34387.1655 -149009.6004 300.3117 -183396.7659 -148908.6465 300.4432 -315.4835 -277.0185 559748.2086 -2.3255 -2.2230 PRESSURE: 1541200 -2.00506 23.7335 51.7154 23.7337 -327.873 106.122 51.7148 106.122 -54.98 GPRESSURE: 1541200 -17.1428 47.8835 134.099 -23.788 -218.777 105.306 -18.4852 97.9996 -53.7875 PRESSAVG: 1541200 -4.23866 14.1148 -50.7111 14.1147 85.8189 47.3316 -50.7111 47.3316 -94.7066 GPRESSAVG: 1541200 -3.1207 16.6116 -50.6065 12.3859 85.3378 49.0293 -50.0182 44.7212 -95.1246 TIMING: 1541200 CPU: 4599.88, 0.00301327/step Wall: 4599.88, 0.00301327/step, 2.89509 hours remaining, 207.484375 MB of memory in use. ENERGY: 1541200 745.1520 2097.7813 1910.4335 110.8325 -205873.6813 17555.5352 0.0000 0.0000 34412.0706 -149041.8761 300.5292 -183453.9467 -148945.8483 299.7216 -128.2860 -96.5692 557681.5530 -4.3754 -4.3025 PRESSURE: 1541400 47.0091 -103.281 5.82264 -103.28 -1.6324 -56.5208 5.82296 -56.521 146.346 GPRESSURE: 1541400 64.5348 -52.4639 34.7882 -128.488 8.41375 -85.2185 9.88239 -97.1121 215.516 PRESSAVG: 1541400 12.5955 -16.2979 -37.7766 -16.2978 -27.609 29.0258 -37.7766 29.0259 26.8285 GPRESSAVG: 1541400 11.8923 -20.4313 -37.8676 -14.064 -27.1343 26.2479 -38.6755 31.6764 27.0317 TIMING: 1541400 CPU: 4600.48, 0.00300401/step Wall: 4600.48, 0.00300401/step, 2.88602 hours remaining, 207.484375 MB of memory in use. ENERGY: 1541400 772.8318 2080.0877 1896.1204 117.8790 -206259.7505 17979.2901 0.0000 0.0000 34314.5894 -149098.9521 299.6778 -183413.5416 -149013.3757 299.3320 63.9077 96.1548 558580.0632 3.9383 3.9299 PRESSURE: 1541600 -154.867 228.24 0.852403 228.24 84.0194 -50.2707 0.852488 -50.2708 16.7923 GPRESSURE: 1541600 -139.078 199.131 62.9307 213.675 71.1766 -6.42528 -59.4818 -20.1409 112.922 PRESSAVG: 1541600 -14.831 6.93201 20.0333 6.93199 -9.0794 14.6245 20.0334 14.6244 76.1502 GPRESSAVG: 1541600 -15.4194 10.6589 19.0683 4.06349 -7.96686 15.0342 19.3128 13.9431 75.2361 TIMING: 1541600 CPU: 4601.08, 0.00300346/step Wall: 4601.08, 0.00300346/step, 2.88533 hours remaining, 207.484375 MB of memory in use. ENERGY: 1541600 774.8709 2078.4829 1935.9455 104.0487 -206314.6622 17859.7409 0.0000 0.0000 34413.3891 -149148.1842 300.5407 -183561.5733 -149053.1702 299.6281 -18.0186 15.0069 557786.0899 17.4133 17.2833 PRESSURE: 1541800 -199.755 52.6584 -50.5606 52.6592 -169.06 133.406 -50.5619 133.407 -255.234 GPRESSURE: 1541800 -202.041 -8.21836 5.97387 51.8282 -106.351 13.4582 -55.477 82.7432 -209.596 PRESSAVG: 1541800 -15.9746 56.4769 15.2585 56.4769 0.387773 6.23146 15.2585 6.23149 -12.4174 GPRESSAVG: 1541800 -15.7588 54.5963 16.8831 58.9833 -0.0764605 7.40797 14.234 6.03809 -12.7602 TIMING: 1541800 CPU: 4601.68, 0.00301313/step Wall: 4601.68, 0.00301313/step, 2.89445 hours remaining, 207.484375 MB of memory in use. ENERGY: 1541800 742.0593 2128.7457 1932.0311 115.4180 -205815.7697 17351.8050 0.0000 0.0000 34170.0628 -149375.6477 298.4157 -183545.7106 -149280.8621 299.4166 -208.0162 -172.6628 557130.3027 -9.3347 -9.5318 PRESSURE: 1542000 275.938 14.6197 4.73625 14.619 -72.1471 -42.1836 4.73663 -42.1821 157.026 GPRESSURE: 1542000 292.07 82.5219 -36.9359 18.9398 -16.586 -52.2843 54.14 -41.6873 189.268 PRESSAVG: 1542000 40.3762 33.8986 -2.31825 33.8986 -63.0029 18.6923 -2.31823 18.6922 -6.00076 GPRESSAVG: 1542000 39.481 31.8201 -2.39536 33.8611 -62.9811 17.963 -0.190974 17.6307 -5.15756 TIMING: 1542000 CPU: 4602.28, 0.00300845/step Wall: 4602.28, 0.00300844/step, 2.88978 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1542000 752.2503 2097.0984 1901.4644 108.2967 -206648.2239 18204.1081 0.0000 0.0000 34119.1687 -149465.8372 297.9712 -183585.0059 -149375.0839 299.0650 120.2723 154.9173 557234.4536 -9.5425 -9.5526 PRESSURE: 1542200 12.2594 125.687 0.54354 125.688 -90.2218 25.1698 0.543218 25.1691 -149.132 GPRESSURE: 1542200 37.9205 159.871 10.2801 100.371 -6.93798 -30.7418 70.0704 102.902 -156.477 PRESSAVG: 1542200 58.1558 -16.7496 31.4993 -16.7496 -13.8469 10.5286 31.4992 10.5286 -16.7965 GPRESSAVG: 1542200 59.6662 -14.6441 28.8277 -19.6074 -14.7681 10.9909 32.2054 12.6354 -16.621 TIMING: 1542200 CPU: 4602.89, 0.00302119/step Wall: 4602.89, 0.00302119/step, 2.90185 hours remaining, 207.484375 MB of memory in use. ENERGY: 1542200 717.8511 2064.3227 1944.8692 108.9814 -206127.1403 17646.2340 0.0000 0.0000 34189.0003 -149455.8815 298.5810 -183644.8819 -149350.7607 298.8051 -75.6982 -41.8314 556771.6487 9.1708 9.4257 PRESSURE: 1542400 169.952 52.186 177.741 52.1844 -21.712 137.924 177.742 137.923 89.8538 GPRESSURE: 1542400 164.532 63.3779 204.84 59.4273 64.1097 168.244 279.909 58.0597 89.393 PRESSAVG: 1542400 -57.6853 1.4562 5.51706 1.45622 89.2066 13.5328 5.51702 13.5329 -0.691673 GPRESSAVG: 1542400 -58.1208 -0.723672 6.99304 5.30473 89.6573 14.8439 5.54198 12.9991 -0.964645 TIMING: 1542400 CPU: 4603.49, 0.00302125/step Wall: 4603.49, 0.00302125/step, 2.90175 hours remaining, 207.484375 MB of memory in use. ENERGY: 1542400 758.1316 2098.3343 1918.9332 112.6027 -206659.2875 17928.5837 0.0000 0.0000 34385.4777 -149457.2244 300.2969 -183842.7020 -149362.4577 299.3984 79.3645 106.0115 556299.6802 10.2765 10.1906 PRESSURE: 1542600 93.8657 14.7406 -54.0048 14.7402 92.6394 19.9472 -54.0049 19.9469 -154.647 GPRESSURE: 1542600 82.9812 75.3568 -125.383 -34.781 167.205 -6.80066 -32.1788 54.1577 -117.319 PRESSAVG: 1542600 -83.1201 50.2058 -24.8481 50.2057 37.854 5.78824 -24.848 5.78818 2.85354 GPRESSAVG: 1542600 -82.84 53.0101 -26.0637 46.6305 37.3082 2.006 -26.2617 6.80079 3.19846 TIMING: 1542600 CPU: 4604.09, 0.00300069/step Wall: 4604.09, 0.00300069/step, 2.88183 hours remaining, 207.484375 MB of memory in use. ENERGY: 1542600 756.9412 2054.3412 1931.8571 113.6480 -206688.0585 17828.6438 0.0000 0.0000 34383.8196 -149618.8075 300.2824 -184002.6271 -149522.2780 298.1928 10.6193 44.2891 556893.8142 -14.1375 -14.1111 PRESSURE: 1542800 -48.006 149.472 -43.3236 149.47 5.34325 -98.321 -43.3239 -98.3203 145.556 GPRESSURE: 1542800 -44.9162 149.511 -0.15085 105.446 54.9219 -38.2398 -16.1957 -147.941 199.955 PRESSAVG: 1542800 -77.3881 -17.0025 -55.004 -17.0023 28.4986 13.9918 -55.0039 13.9919 45.9621 GPRESSAVG: 1542800 -75.9918 -17.5716 -53.5353 -16.2287 27.8054 17.3687 -56.2753 13.2238 44.7611 TIMING: 1542800 CPU: 4604.69, 0.00299243/step Wall: 4604.69, 0.00299243/step, 2.87373 hours remaining, 207.484375 MB of memory in use. ENERGY: 1542800 728.8376 2102.9974 1922.9331 111.9528 -206225.9548 17745.4566 0.0000 0.0000 34136.7740 -149477.0033 298.1249 -183613.7773 -149382.5286 298.8294 34.2978 69.9869 557411.9664 -0.9758 -1.1417 PRESSURE: 1543000 36.6427 129.311 -179.018 129.31 -52.8619 -34.7757 -179.018 -34.7748 -149.285 GPRESSURE: 1543000 60.4953 97.8768 -149.851 88.6982 7.25792 -59.5472 -158.662 14.6293 -127.605 PRESSAVG: 1543000 -25.7546 7.48055 27.1668 7.48056 72.3948 -47.3021 27.1668 -47.3021 -14.2561 GPRESSAVG: 1543000 -27.346 7.07589 28.1658 8.00378 73.0377 -46.4366 28.6586 -48.8635 -13.8137 TIMING: 1543000 CPU: 4605.29, 0.00298006/step Wall: 4605.29, 0.00298006/step, 2.86168 hours remaining, 207.484375 MB of memory in use. ENERGY: 1543000 751.6623 2111.0968 1927.4910 115.7369 -206360.9768 17843.0863 0.0000 0.0000 34277.7285 -149334.1750 299.3559 -183611.9035 -149236.7297 299.5570 -55.1680 -19.9505 556480.4775 10.7947 10.6260 PRESSURE: 1543200 274.724 88.8336 -109.941 88.8316 -4.87538 -22.2758 -109.942 -22.2746 236.965 GPRESSURE: 1543200 308.243 102.923 -158.048 75.8164 48.596 -62.7047 -172.961 -16.3613 239.438 PRESSAVG: 1543200 -18.6221 46.4257 54.3404 46.4257 -10.8775 -53.9604 54.3404 -53.9604 43.1525 GPRESSAVG: 1543200 -16.6735 47.8079 51.7383 45.5995 -11.1737 -56.4968 54.6764 -51.4836 41.2834 TIMING: 1543200 CPU: 4605.88, 0.00297996/step Wall: 4605.88, 0.00297996/step, 2.86143 hours remaining, 207.484375 MB of memory in use. ENERGY: 1543200 728.4761 2154.5284 1936.9071 99.2436 -206409.5539 17763.0626 0.0000 0.0000 34209.0554 -149518.2807 298.7562 -183727.3361 -149422.3254 299.2150 168.9380 198.7591 554416.1142 4.5510 4.4787 PRESSURE: 1543400 -114.624 206.201 -0.147596 206.199 83.767 128.839 -0.146055 128.838 224.631 GPRESSURE: 1543400 -36.3557 151.196 -14.0948 260.179 115.011 97.5666 -42.4299 114.827 231.21 PRESSAVG: 1543400 -26.5448 45.8272 9.78531 45.8272 40.5746 28.7452 9.78527 28.7452 9.571 GPRESSAVG: 1543400 -27.6732 43.7916 14.2006 48.1084 39.8057 28.8988 6.69047 26.808 12.1463 TIMING: 1543400 CPU: 4606.48, 0.00299071/step Wall: 4606.48, 0.00299071/step, 2.87158 hours remaining, 207.484375 MB of memory in use. ENERGY: 1543400 723.9877 2147.8673 1939.9811 123.3710 -206738.8849 18001.3088 0.0000 0.0000 34363.2986 -149439.0705 300.1032 -183802.3691 -149348.5345 298.8058 64.5913 103.2885 555889.6568 7.8669 8.0929 PRESSURE: 1543600 -38.3457 -58.9418 -24.0897 -58.9435 -283.813 73.3335 -24.0914 73.334 40.8777 GPRESSURE: 1543600 -3.60443 -23.9862 -69.757 -11.6738 -267.669 11.6655 62.5991 80.0546 88.8633 PRESSAVG: 1543600 -67.6216 14.7859 12.8289 14.7859 24.3551 24.0424 12.8289 24.0424 52.2254 GPRESSAVG: 1543600 -67.7606 14.3281 8.35055 14.0131 25.3535 25.3683 17.5494 24.3652 51.9873 TIMING: 1543600 CPU: 4607.08, 0.00299469/step Wall: 4607.08, 0.00299469/step, 2.87523 hours remaining, 207.484375 MB of memory in use. ENERGY: 1543600 737.5150 2099.2684 1922.4626 109.0967 -206006.9701 17663.1682 0.0000 0.0000 34129.2115 -149346.2477 298.0589 -183475.4592 -149252.5013 298.7705 -93.7602 -60.8033 557956.7325 2.9863 3.1934 PRESSURE: 1543800 105.086 91.7087 -2.43274 91.7088 41.4864 83.1072 -2.43392 83.1074 -117.771 GPRESSURE: 1543800 176.336 67.1119 39.1653 -8.13771 39.0982 10.6208 17.2577 101.152 -83.6015 PRESSAVG: 1543800 -4.94044 7.33675 -41.3945 7.33682 32.5678 33.6324 -41.3945 33.6324 -0.986123 GPRESSAVG: 1543800 -4.42831 8.7581 -38.8551 4.29255 32.5274 31.5354 -42.8567 33.6896 -1.6732 TIMING: 1543800 CPU: 4607.68, 0.00301169/step Wall: 4607.68, 0.00301169/step, 2.89139 hours remaining, 207.484375 MB of memory in use. ENERGY: 1543800 758.7375 2092.7839 1933.9667 96.1773 -206022.9522 17783.8914 0.0000 0.0000 34260.2393 -149097.1560 299.2032 -183357.3953 -149001.0813 300.0013 9.6007 43.9444 557855.9303 8.8804 8.8086 PRESSURE: 1544000 -46.1838 -206.03 -134.948 -206.029 -298.653 -34.8218 -134.948 -34.8221 -145.218 GPRESSURE: 1544000 -30.99 -197.381 -141.228 -215.861 -242.427 -102.758 -177.088 82.5027 -115.178 PRESSAVG: 1544000 66.6246 -25.6605 -19.0103 -25.6606 -33.1406 -25.0096 -19.0103 -25.0096 -53.0734 GPRESSAVG: 1544000 66.1474 -26.5889 -19.3331 -23.7916 -32.7101 -25.6923 -18.5444 -24.6113 -53.4131 TIMING: 1544000 CPU: 4608.28, 0.00301429/step Wall: 4608.28, 0.00301429/step, 2.89372 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1544000 712.3953 2143.7561 1903.2511 104.8473 -205623.1531 17376.4275 0.0000 0.0000 34162.1757 -149220.3003 298.3468 -183382.4759 -149122.6073 299.0161 -163.3514 -129.5316 559161.7554 -6.5298 -6.6586 PRESSURE: 1544200 142.4 28.8631 -52.914 28.8629 -241.404 116.69 -52.9152 116.691 57.8808 GPRESSURE: 1544200 131.317 4.19554 -114.56 61.8401 -199.277 201.335 -11.0748 45.5866 132.649 PRESSAVG: 1544200 20.8657 -28.1896 -16.4481 -28.1897 -43.0028 -12.2017 -16.4483 -12.2016 8.01825 GPRESSAVG: 1544200 20.3099 -28.362 -17.9394 -27.3667 -42.411 -10.9381 -16.1831 -13.3024 7.74844 TIMING: 1544200 CPU: 4608.89, 0.00300848/step Wall: 4608.89, 0.00300848/step, 2.88798 hours remaining, 207.484375 MB of memory in use. ENERGY: 1544200 739.3223 2056.9179 1936.8716 107.4047 -206292.7130 17924.1386 0.0000 0.0000 34375.7046 -149152.3533 300.2116 -183528.0579 -149054.9461 298.9310 -13.7078 21.5629 557610.0485 -4.7063 -4.7842 LDB: ============= START OF LOAD BALANCING ============== 4612.44 LDB: ============== END OF LOAD BALANCING =============== 4612.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4612.44 LDB: ============= START OF LOAD BALANCING ============== 4612.74 LDB: Largest compute 4772 load 0.027621 is 23.4% of average load 0.118118 LDB: Average compute 0.001739 is 1.5% of average load 0.118118 LDB: TIME 4612.74 LOAD: AVG 0.118118 MAX 0.208773 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 4612.74 LOAD: AVG 0.118118 MAX 0.208773 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.516 MB LDB: TIME 4612.74 LOAD: AVG 0.118118 MAX 0.208773 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.516 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4612.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4612.75 PRESSURE: 1544400 3.84005 10.6654 -8.31011 10.6653 38.1679 -53.2326 -8.30852 -53.2335 -43.6481 GPRESSURE: 1544400 29.0588 -76.4171 -23.5574 -21.5093 50.2957 -75.475 -17.1108 -72.7115 17.342 PRESSAVG: 1544400 -2.57875 23.5514 11.6129 23.5515 -5.14635 9.1995 11.6128 9.19949 25.2922 GPRESSAVG: 1544400 -2.57739 23.4856 12.8219 21.9195 -5.91242 8.83029 11.2094 9.59796 26.2431 TIMING: 1544400 CPU: 4609.5, 0.00305247/step Wall: 4609.5, 0.00305247/step, 2.93003 hours remaining, 206.515625 MB of memory in use. ENERGY: 1544400 741.2094 2071.7263 1945.9549 123.4670 -206429.7745 17949.3420 0.0000 0.0000 34397.2962 -149200.7787 300.4001 -183598.0749 -149106.6045 299.6549 -0.5467 32.2321 558467.6696 5.8557 5.9178 PRESSURE: 1544600 -129.032 93.7656 77.6363 93.765 116.619 -0.7595 77.6378 -0.760173 -14.686 GPRESSURE: 1544600 -120.451 23.3302 29.5836 163.657 161.789 -21.6529 52.4175 74.6594 29.4885 PRESSAVG: 1544600 -94.9846 -6.25877 -26.3549 -6.25889 61.149 -18.5473 -26.3549 -18.5473 49.5245 GPRESSAVG: 1544600 -94.419 -5.61081 -26.1973 -5.70686 61.0932 -17.1902 -28.1564 -17.8566 49.422 TIMING: 1544600 CPU: 4610.1, 0.00300355/step Wall: 4610.1, 0.00300355/step, 2.88291 hours remaining, 206.515625 MB of memory in use. ENERGY: 1544600 730.6943 2070.8984 1925.1002 107.3608 -206226.7967 17958.5115 0.0000 0.0000 34032.3441 -149401.8875 297.2129 -183434.2315 -149304.8980 298.8696 -9.0331 23.6090 556980.2401 5.2297 5.3654 PRESSURE: 1544800 136.116 -128.674 140.267 -128.673 -81.2773 -29.9091 140.268 -29.9103 -249.675 GPRESSURE: 1544800 204.415 -71.6495 120.016 -27.3532 -27.4266 23.9014 195.36 -51.2414 -274.126 PRESSAVG: 1544800 32.4119 31.7608 -9.23877 31.7607 -25.2705 48.6595 -9.23866 48.6593 -10.4528 GPRESSAVG: 1544800 32.1163 33.594 -8.90171 32.4915 -25.0043 49.0743 -8.1696 48.095 -10.3012 TIMING: 1544800 CPU: 4610.7, 0.00301408/step Wall: 4610.7, 0.00301408/step, 2.89285 hours remaining, 206.515625 MB of memory in use. ENERGY: 1544800 718.6618 2078.3796 1918.4000 106.9057 -206194.8368 17703.9552 0.0000 0.0000 34368.6787 -149299.8558 300.1502 -183668.5345 -149196.2785 298.4258 -64.9454 -32.3791 557669.5887 -1.1038 -1.0631 PRESSURE: 1545000 -489.224 29.6915 138.926 29.6915 -185.946 64.6425 138.925 64.6422 4.77883 GPRESSURE: 1545000 -451.149 -29.6181 76.0045 38.9644 -204.636 121.732 228.55 71.1193 98.3225 PRESSAVG: 1545000 -51.8448 3.41996 -11.9739 3.42005 21.4318 -65.609 -11.974 -65.609 33.9112 GPRESSAVG: 1545000 -51.7866 3.09346 -11.8977 3.67688 20.7887 -65.6845 -11.2672 -64.544 34.4623 TIMING: 1545000 CPU: 4611.3, 0.00300713/step Wall: 4611.3, 0.00300713/step, 2.88601 hours remaining, 206.515625 MB of memory in use. ENERGY: 1545000 747.7330 2036.6377 1962.8394 117.3247 -206021.0747 17462.2921 0.0000 0.0000 34429.5996 -149264.6482 300.6823 -183694.2478 -149176.7127 299.4224 -223.4638 -185.8207 557942.2432 1.1661 1.1548 PRESSURE: 1545200 6.96083 -85.2465 103.305 -85.2459 196.538 -89.1653 103.305 -89.1641 -150.88 GPRESSURE: 1545200 32.0209 50.2131 123.602 -116.21 208.526 -67.7739 104.513 -162.088 -104.376 PRESSAVG: 1545200 -3.15895 -4.15427 60.0279 -4.15425 -80.7319 -10.2176 60.0279 -10.2176 83.4011 GPRESSAVG: 1545200 -2.64107 -4.1488 61.4438 -4.02724 -79.4212 -9.86579 58.8955 -10.9336 81.7167 TIMING: 1545200 CPU: 4611.9, 0.00299524/step Wall: 4611.9, 0.00299524/step, 2.87443 hours remaining, 206.515625 MB of memory in use. ENERGY: 1545200 748.5888 2086.6767 1940.2616 118.6359 -206263.7476 17798.5422 0.0000 0.0000 34225.9523 -149345.0901 298.9038 -183571.0424 -149247.1150 299.7746 17.5397 45.3902 557471.4327 -0.1632 -0.1152 PRESSURE: 1545400 164.065 -13.7755 116.279 -13.7743 32.5907 -84.0249 116.28 -84.0234 -230.032 GPRESSURE: 1545400 211.393 -19.4809 94.8856 -9.00717 68.874 -88.3554 26.0085 -83.052 -229.347 PRESSAVG: 1545400 20.5714 -20.5695 22.2269 -20.5695 -34.238 18.798 22.2268 18.7982 5.77571 GPRESSAVG: 1545400 21.1014 -20.3558 22.9013 -21.7148 -35.4176 17.7751 20.643 17.1162 6.23419 TIMING: 1545400 CPU: 4612.5, 0.00299274/step Wall: 4612.5, 0.00299274/step, 2.87187 hours remaining, 206.515625 MB of memory in use. ENERGY: 1545400 731.3618 2052.1235 1934.7348 113.2076 -206385.1656 17776.3993 0.0000 0.0000 34214.3108 -149563.0277 298.8021 -183777.3385 -149472.3468 298.4684 -11.1256 16.9734 556607.9330 -2.6303 -2.6940 PRESSURE: 1545600 -113.149 15.2461 90.6401 15.2455 -155.472 33.3885 90.6407 33.3868 -126.372 GPRESSURE: 1545600 -141.453 45.6603 28.0379 -9.30091 -110.123 14.5362 198.269 6.03077 -62.1139 PRESSAVG: 1545600 -14.4364 -5.34615 -4.32229 -5.34612 -20.4741 25.1724 -4.32231 25.1724 -14.3915 GPRESSAVG: 1545600 -14.8377 -5.56129 -4.98183 -6.39433 -20.8204 25.322 -2.91075 26.4437 -13.3176 TIMING: 1545600 CPU: 4613.1, 0.00300291/step Wall: 4613.1, 0.00300291/step, 2.88146 hours remaining, 206.515625 MB of memory in use. ENERGY: 1545600 751.0937 2099.2125 1943.4978 111.5128 -206031.8840 17502.7894 0.0000 0.0000 34282.7574 -149341.0203 299.3998 -183623.7777 -149234.1418 298.4067 -131.6641 -104.5634 557889.7319 -16.4340 -16.3253 PRESSURE: 1545800 -12.3609 -33.2832 92.2912 -33.284 -15.2128 107.793 92.2915 107.793 96.1907 GPRESSURE: 1545800 71.5422 -24.9017 60.0654 -17.0192 44.1255 204.387 126.216 43.1507 54.8334 PRESSAVG: 1545800 -21.2936 -26.9681 17.1189 -26.9682 3.9276 -8.62351 17.1188 -8.62343 55.3979 GPRESSAVG: 1545800 -21.44 -27.4247 15.9736 -24.8486 4.61784 -6.2048 17.1309 -10.0058 54.5521 TIMING: 1545800 CPU: 4613.7, 0.00300593/step Wall: 4613.7, 0.00300593/step, 2.88419 hours remaining, 206.515625 MB of memory in use. ENERGY: 1545800 750.7929 2080.6450 1919.7614 112.3775 -206622.2344 17966.4672 0.0000 0.0000 34360.3019 -149431.8885 300.0771 -183792.1904 -149335.8580 299.3667 22.8724 56.8337 558540.2690 12.6773 12.5767 PRESSURE: 1546000 37.6887 -193.245 -75.7264 -193.245 -209.606 157.041 -75.7264 157.042 214.211 GPRESSURE: 1546000 3.16246 -231.261 -121.768 -184.558 -119.766 108.587 24.6057 152.227 262.99 PRESSAVG: 1546000 -21.6416 -26.3223 -15.2652 -26.3223 -8.50088 38.4118 -15.2652 38.4118 48.327 GPRESSAVG: 1546000 -21.3333 -23.9195 -14.4271 -27.6425 -9.30501 32.9167 -13.0963 40.5823 48.7045 TIMING: 1546000 CPU: 4614.29, 0.00296293/step Wall: 4614.29, 0.00296293/step, 2.84276 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1546000 758.5577 2081.4821 1909.8670 100.8516 -206375.9409 17920.7425 0.0000 0.0000 34354.4771 -149249.9629 300.0262 -183604.4399 -149148.4022 299.4699 14.0977 48.7955 556508.4334 6.0615 6.0221 PRESSURE: 1546200 -13.3808 143.282 -143.663 143.282 329.343 80.398 -143.663 80.3984 78.8615 GPRESSURE: 1546200 30.2296 82.6465 -184.957 250.855 333.316 206.937 -82.5261 -18.6463 129.282 PRESSAVG: 1546200 -39.395 -52.0722 -80.0217 -52.0722 -41.5275 9.21144 -80.0216 9.21136 46.4992 GPRESSAVG: 1546200 -39.4598 -56.4274 -80.4669 -50.5176 -40.0673 11.8482 -81.881 9.51585 44.8569 TIMING: 1546200 CPU: 4614.89, 0.00298191/step Wall: 4614.89, 0.00298191/step, 2.86081 hours remaining, 206.515625 MB of memory in use. ENERGY: 1546200 724.7745 2049.3934 1939.5660 128.6726 -206589.4052 18057.2753 0.0000 0.0000 34423.3115 -149266.4119 300.6273 -183689.7235 -149171.8095 299.6332 131.6079 164.2760 556750.3486 -11.4744 -11.5567 PRESSURE: 1546400 -163.761 -54.1985 24.5499 -54.1963 -353.219 73.9978 24.5504 73.997 139.025 GPRESSURE: 1546400 -171.021 33.2869 76.3383 -116.089 -287.96 53.705 -6.53697 106.166 191.012 PRESSAVG: 1546400 14.0894 -39.1306 -11.3363 -39.1306 6.56497 26.1895 -11.3363 26.1895 49.7515 GPRESSAVG: 1546400 13.0173 -36.8385 -9.90424 -41.3183 5.77943 25.4747 -11.3517 26.0681 51.8286 TIMING: 1546400 CPU: 4615.49, 0.00299797/step Wall: 4615.49, 0.00299797/step, 2.87605 hours remaining, 206.515625 MB of memory in use. ENERGY: 1546400 716.0452 2069.2058 1916.7834 115.5366 -205927.5899 17519.0138 0.0000 0.0000 34308.2422 -149282.7629 299.6224 -183591.0051 -149178.9447 299.1776 -125.9851 -89.3229 555559.1502 23.4686 23.5418 PRESSURE: 1546600 8.63045 106.972 -15.6747 106.971 72.2743 136.383 -15.6746 136.382 181.92 GPRESSURE: 1546600 34.0321 86.8055 -85.4897 123.106 120.599 104.65 44.9208 32.3596 194.719 PRESSAVG: 1546600 -107.194 -8.30644 46.5248 -8.30644 47.1144 -22.7393 46.5249 -22.7393 34.4412 GPRESSAVG: 1546600 -107.441 -7.57548 44.9848 -7.95702 46.7543 -22.4694 46.8703 -23.92 34.4852 TIMING: 1546600 CPU: 4616.09, 0.00297598/step Wall: 4616.09, 0.00297598/step, 2.85479 hours remaining, 206.515625 MB of memory in use. ENERGY: 1546600 743.6533 2090.1490 1893.1497 122.6488 -206228.3657 17940.3988 0.0000 0.0000 34182.1976 -149256.1684 298.5216 -183438.3660 -149159.3208 299.0312 87.6081 116.4499 557202.7447 -8.5462 -8.7337 PRESSURE: 1546800 159.413 -102.766 -249.798 -102.766 105.714 33.4674 -249.799 33.4689 286.838 GPRESSURE: 1546800 199.217 -146.516 -193.947 -55.3941 126.942 -62.649 -280.717 67.5748 321.367 PRESSAVG: 1546800 -20.5198 88.8778 26.9283 88.8779 10.3998 -31.9847 26.9283 -31.9847 34.0806 GPRESSAVG: 1546800 -20.2477 86.5035 27.3074 89.1294 10.6785 -30.2967 27.2545 -31.9473 33.2356 TIMING: 1546800 CPU: 4616.68, 0.00297587/step Wall: 4616.68, 0.00297587/step, 2.85452 hours remaining, 206.515625 MB of memory in use. ENERGY: 1546800 724.8532 2119.7595 1940.8013 121.5022 -206509.8193 17936.6207 0.0000 0.0000 34452.7302 -149213.5522 300.8843 -183666.2824 -149110.6919 300.0983 183.9885 215.8419 555865.0205 7.9869 7.8888 PRESSURE: 1547000 -136.648 26.1733 149.319 26.1728 -52.2722 -99.0698 149.318 -99.0689 153.009 GPRESSURE: 1547000 -113.143 -13.7833 212.732 8.79341 18.6314 -95.4121 155.016 -79.406 153.053 PRESSAVG: 1547000 -59.7601 7.62058 -19.4686 7.62061 -26.187 -16.9544 -19.4685 -16.9544 59.4681 GPRESSAVG: 1547000 -60.4121 10.5449 -18.9729 3.84445 -24.9896 -18.1516 -20.572 -15.8871 59.4965 TIMING: 1547000 CPU: 4617.28, 0.00298585/step Wall: 4617.28, 0.00298585/step, 2.86393 hours remaining, 206.515625 MB of memory in use. ENERGY: 1547000 749.7772 2067.4160 1933.2013 109.3193 -206272.3833 17825.4742 0.0000 0.0000 34376.5170 -149210.6782 300.2187 -183587.1952 -149112.6812 298.5859 -11.9703 19.5138 557488.3175 -8.8263 -8.6351 PRESSURE: 1547200 108.708 1.65481 161.379 1.65562 205.178 -55.4252 161.379 -55.4239 212.069 GPRESSURE: 1547200 184.949 26.0024 126.862 -5.20759 213.014 -26.9785 138.645 -56.3571 220.153 PRESSAVG: 1547200 -43.5085 -8.80748 30.1922 -8.80757 23.8385 -66.8565 30.1922 -66.8564 56.0612 GPRESSAVG: 1547200 -42.7873 -11.5411 31.2989 -6.39741 23.0678 -66.7777 30.6647 -67.4315 56.2906 TIMING: 1547200 CPU: 4617.87, 0.00296922/step Wall: 4617.87, 0.00296922/step, 2.84781 hours remaining, 206.515625 MB of memory in use. ENERGY: 1547200 729.8788 2136.8324 1942.0686 111.0083 -206560.0949 18280.5270 0.0000 0.0000 34229.5170 -149130.2626 298.9349 -183359.7797 -149045.3537 300.0190 175.3182 206.0388 556891.3280 12.1304 12.1904 PRESSURE: 1547400 3.52781 -17.625 187.207 -17.6247 37.959 70.1905 187.207 70.1912 53.5583 GPRESSURE: 1547400 69.1199 -27.6202 215.73 10.0278 36.3708 11.831 171.423 106.615 91.2547 PRESSAVG: 1547400 -18.1762 43.9606 26.7445 43.9606 -10.464 26.5312 26.7445 26.5312 -26.2728 GPRESSAVG: 1547400 -18.5083 43.8146 25.1973 43.9455 -9.73517 27.1968 27.6199 26.814 -26.1001 TIMING: 1547400 CPU: 4618.47, 0.00298223/step Wall: 4618.47, 0.00298223/step, 2.86013 hours remaining, 206.515625 MB of memory in use. ENERGY: 1547400 712.8430 2072.8373 1914.4367 116.8834 -206051.0026 17902.7661 0.0000 0.0000 34189.7549 -149141.4811 298.5876 -183331.2360 -149051.9024 299.3719 31.6817 65.5818 558326.8862 -18.3043 -18.1145 PRESSURE: 1547600 59.712 -36.5151 89.0879 -36.5158 198.116 -174.141 89.0888 -174.14 -101.627 GPRESSURE: 1547600 124.695 -48.53 44.9904 -47.8077 259.224 -91.4692 201.465 -209.47 -124.081 PRESSAVG: 1547600 -58.2485 59.9245 4.95624 59.9245 26.3113 -36.8429 4.95631 -36.843 -15.5175 GPRESSAVG: 1547600 -58.3717 60.1709 5.07225 57.7657 26.8566 -36.7673 4.68444 -35.9014 -15.431 TIMING: 1547600 CPU: 4619.06, 0.002971/step Wall: 4619.06, 0.002971/step, 2.84919 hours remaining, 206.515625 MB of memory in use. ENERGY: 1547600 763.3682 2063.6747 1934.6318 129.3534 -206404.2648 18012.0451 0.0000 0.0000 34060.9538 -149440.2379 297.4628 -183501.1916 -149348.3842 298.7192 52.0669 86.6125 557099.0337 -15.8182 -15.6487 PRESSURE: 1547800 104.535 22.2829 -212.328 22.2831 90.8455 36.2206 -212.327 36.2216 185.103 GPRESSURE: 1547800 171.274 58.1863 -83.3741 -15.5253 167.229 -16.8236 -251.939 115.599 133.33 PRESSAVG: 1547800 42.5601 -30.9818 -53.3148 -30.9817 46.6461 -18.2286 -53.3147 -18.2286 -83.6836 GPRESSAVG: 1547800 42.3328 -30.4315 -52.8174 -31.069 47.3051 -18.1272 -52.0071 -20.7603 -83.7806 TIMING: 1547800 CPU: 4619.66, 0.00299683/step Wall: 4619.66, 0.00299683/step, 2.87379 hours remaining, 206.515625 MB of memory in use. ENERGY: 1547800 739.5151 2151.7505 1907.1833 121.5529 -206725.9580 17973.3154 0.0000 0.0000 34497.5584 -149335.0823 301.2758 -183832.6407 -149243.1289 298.8977 126.8279 157.2778 556208.9667 1.8409 1.9525 PRESSURE: 1548000 -59.6334 108.03 -70.4717 108.03 -339.77 -95.3137 -70.4722 -95.3141 -159.863 GPRESSURE: 1548000 17.5499 134.06 -65.256 51.9439 -263.551 -135.273 -73.6364 -67.983 -200.526 PRESSAVG: 1548000 -58.6304 49.1562 -12.6597 49.1561 -45.9789 -29.6225 -12.6596 -29.6225 74.2527 GPRESSAVG: 1548000 -58.5444 49.0915 -12.5464 52.7267 -45.4435 -29.3667 -12.9233 -28.5984 74.0384 TIMING: 1548000 CPU: 4620.27, 0.00303748/step Wall: 4620.27, 0.00303748/step, 2.91261 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1548000 762.4021 2125.2622 1899.5672 103.8379 -206248.4408 17694.3399 0.0000 0.0000 34155.3934 -149507.6381 298.2875 -183663.0315 -149410.2564 298.8351 -186.4220 -148.8425 557978.1324 -10.1189 -9.9832 PRESSURE: 1548200 42.9263 2.49468 29.8679 2.49552 -144.781 43.5596 29.8682 43.5612 -138.513 GPRESSURE: 1548200 67.8572 71.8829 -34.0727 -31.6431 -93.2813 127.802 66.3192 -11.0299 -116.698 PRESSAVG: 1548200 -13.3609 19.9347 55.7145 19.9347 -65.3869 -32.254 55.7146 -32.254 58.2255 GPRESSAVG: 1548200 -13.4059 20.911 56.7945 18.9116 -65.728 -31.7163 54.3786 -31.8847 58.6959 TIMING: 1548200 CPU: 4620.88, 0.00304915/step Wall: 4620.88, 0.00304915/step, 2.92362 hours remaining, 206.515625 MB of memory in use. ENERGY: 1548200 715.9337 2072.7199 1937.0655 113.4301 -206511.7778 17755.8116 0.0000 0.0000 34145.6800 -149771.1371 298.2027 -183916.8171 -149677.3190 297.8949 -80.1225 -47.3739 557815.9976 -6.8408 -6.8127 LDB: ============= START OF LOAD BALANCING ============== 4624.43 LDB: ============== END OF LOAD BALANCING =============== 4624.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4624.43 LDB: ============= START OF LOAD BALANCING ============== 4624.74 LDB: Largest compute 4772 load 0.027320 is 23.1% of average load 0.118202 LDB: Average compute 0.001734 is 1.5% of average load 0.118202 LDB: TIME 4624.74 LOAD: AVG 0.118202 MAX 0.212385 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.027 MB LDB: TIME 4624.74 LOAD: AVG 0.118202 MAX 0.212385 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.066 MB LDB: TIME 4624.74 LOAD: AVG 0.118202 MAX 0.212385 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.066 MB LDB: ============== END OF LOAD BALANCING =============== 4624.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4624.75 PRESSURE: 1548400 -246.792 76.2624 4.59583 76.2632 -36.384 -15.6214 4.59481 -15.6204 -244.508 GPRESSURE: 1548400 -262.353 57.4695 31.687 91.7881 42.3149 -9.87231 -22.6632 -31.5093 -207.956 PRESSAVG: 1548400 -29.874 43.9156 -21.6313 43.9154 -13.0998 -35.2255 -21.6314 -35.2256 20.5351 GPRESSAVG: 1548400 -28.5775 44.5222 -24.7952 44.3665 -14.9639 -36.7727 -20.4123 -36.1973 21.1482 TIMING: 1548400 CPU: 4621.5, 0.00309232/step Wall: 4621.5, 0.00309232/step, 2.96485 hours remaining, 206.449219 MB of memory in use. ENERGY: 1548400 703.2570 2050.9076 1940.3079 115.0138 -206360.3873 17604.1303 0.0000 0.0000 34027.2473 -149919.5235 297.1684 -183946.7708 -149823.2429 297.8364 -175.8944 -142.6644 556379.4263 -7.4795 -7.4644 PRESSURE: 1548600 16.0331 83.6488 -108.345 83.6491 -635.66 -186.638 -108.346 -186.636 -177.872 GPRESSURE: 1548600 31.6281 98.2063 -126.16 155.81 -580.876 -180.166 -106.537 -181 -127.175 PRESSAVG: 1548600 15.9563 39.2121 -0.746475 39.212 -48.7196 -18.4574 -0.746458 -18.4573 73.9753 GPRESSAVG: 1548600 15.5484 37.7179 -0.210382 39.48 -48.0575 -19.1261 -1.22546 -17.8692 73.9141 TIMING: 1548600 CPU: 4622.11, 0.00305005/step Wall: 4622.11, 0.00305005/step, 2.92415 hours remaining, 206.652344 MB of memory in use. ENERGY: 1548600 741.4298 2081.0473 1907.0925 104.3958 -206401.6711 17539.9578 0.0000 0.0000 34268.7656 -149758.9823 299.2777 -184027.7479 -149664.1235 297.5357 -265.8328 -225.4741 557056.9458 13.7373 13.8017 PRESSURE: 1548800 -180.515 105.578 -97.3866 105.578 -76.6518 82.0356 -97.3878 82.0371 -22.0787 GPRESSURE: 1548800 -175.439 162.709 -52.0634 121.914 -26.6679 54.1007 -155.18 87.8211 12.4895 PRESSAVG: 1548800 2.40217 -61.3743 -49.5316 -61.3744 -4.20879 -12.6584 -49.5317 -12.6583 -19.1429 GPRESSAVG: 1548800 2.4002 -60.3421 -47.1256 -63.6407 -4.67236 -13.0803 -49.3667 -12.6654 -18.6605 TIMING: 1548800 CPU: 4622.71, 0.00303465/step Wall: 4622.71, 0.00303465/step, 2.90922 hours remaining, 206.652344 MB of memory in use. ENERGY: 1548800 728.4597 2083.7777 1923.4597 116.1328 -206446.9850 17665.0751 0.0000 0.0000 34131.5576 -149798.5224 298.0794 -183930.0800 -149703.8083 297.8647 -93.0819 -63.2056 556158.4584 -6.9832 -6.9775 PRESSURE: 1549000 -212.512 -161.666 150.907 -161.664 -245.865 160.931 150.907 160.932 -94.4378 GPRESSURE: 1549000 -181.364 -14.4692 163.106 -153.122 -191.982 136.372 121.797 86.0741 -82.876 PRESSAVG: 1549000 -27.4981 -4.45594 46.5058 -4.45602 41.3572 23.2207 46.5058 23.2207 10.3871 GPRESSAVG: 1549000 -27.3486 -5.60692 44.783 -3.20324 41.3404 24.7812 45.1698 22.6885 9.58648 TIMING: 1549000 CPU: 4623.32, 0.00302261/step Wall: 4623.32, 0.00302261/step, 2.8975 hours remaining, 206.652344 MB of memory in use. ENERGY: 1549000 745.7640 2067.9602 1917.2328 108.7462 -206569.7388 17741.5898 0.0000 0.0000 34211.4735 -149776.9723 298.7773 -183988.4458 -149688.1581 297.3142 -184.2715 -152.0740 557659.6335 8.0821 7.8594 PRESSURE: 1549200 113.551 -166.257 124.311 -166.259 20.3171 73.2031 124.311 73.2011 124.792 GPRESSURE: 1549200 135.347 -161.402 111.986 -202.412 29.7887 4.30622 124.148 42.5619 180.416 PRESSAVG: 1549200 24.2472 12.4806 63.7568 12.4806 -54.9066 1.07383 63.7568 1.07376 42.7223 GPRESSAVG: 1549200 23.474 11.6521 64.0986 11.8058 -55.4491 0.0396078 63.9862 -0.326026 44.1747 TIMING: 1549200 CPU: 4623.92, 0.00299286/step Wall: 4623.92, 0.00299286/step, 2.86882 hours remaining, 206.718750 MB of memory in use. ENERGY: 1549200 777.1348 2067.2141 1925.9352 105.2071 -206814.6421 18157.3673 0.0000 0.0000 33992.5110 -149789.2726 296.8651 -183781.7836 -149695.6230 298.1158 86.2199 115.1839 556427.0753 4.0209 4.0665 PRESSURE: 1549400 -128.096 10.8601 -72.9339 10.8597 -256.216 -66.0072 -72.9349 -66.0089 -135.706 GPRESSURE: 1549400 -180.729 -41.1167 27.073 52.2745 -143.614 -64.2855 -115.384 -103.585 -102.71 PRESSAVG: 1549400 -37.0129 -46.7033 7.01448 -46.7034 -5.98062 33.9777 7.01449 33.9777 52.7591 GPRESSAVG: 1549400 -37.2362 -47.3618 7.68847 -44.5454 -5.49952 34.2938 7.55804 35.6785 52.4262 TIMING: 1549400 CPU: 4624.52, 0.00299515/step Wall: 4624.52, 0.00299515/step, 2.87086 hours remaining, 206.718750 MB of memory in use. ENERGY: 1549400 798.4360 2112.0584 1934.4380 106.6776 -206116.9646 17730.5798 0.0000 0.0000 33900.8153 -149533.9596 296.0643 -183434.7748 -149430.2456 297.2493 -173.3393 -142.3510 557387.6746 3.2552 3.2302 PRESSURE: 1549600 -107.091 14.164 62.0645 14.1641 202.637 78.6341 62.0633 78.6355 -322.805 GPRESSURE: 1549600 -107.112 1.49049 58.4628 -14.9427 292.838 102.882 141.465 32.6217 -305.059 PRESSAVG: 1549600 -62.4956 -23.2606 41.8146 -23.2606 21.8414 -5.67992 41.8146 -5.6799 45.1126 GPRESSAVG: 1549600 -62.2539 -21.2856 40.5466 -24.536 22.9345 -5.26993 42.544 -6.50848 44.2056 TIMING: 1549600 CPU: 4625.12, 0.00300935/step Wall: 4625.12, 0.00300935/step, 2.88429 hours remaining, 206.718750 MB of memory in use. ENERGY: 1549600 749.4031 2066.4237 1953.9977 120.2762 -206366.1531 17823.5213 0.0000 0.0000 34324.4245 -149328.1066 299.7637 -183652.5311 -149227.9457 298.1520 -75.7527 -39.7778 557870.5785 1.4861 1.6288 PRESSURE: 1549800 125.632 -77.7263 18.2895 -77.7251 -55.7024 179.386 18.2914 179.386 92.7192 GPRESSURE: 1549800 216.789 6.31035 25.3454 -156.487 -69.5921 21.7383 15.8815 285.359 132.481 PRESSAVG: 1549800 11.4877 15.2688 51.3912 15.2688 -50.9506 15.2711 51.3912 15.2712 37.3441 GPRESSAVG: 1549800 10.9313 14.9929 53.2951 15.1147 -50.9383 15.0936 50.2334 14.6831 37.7952 TIMING: 1549800 CPU: 4625.72, 0.00302546/step Wall: 4625.72, 0.00302546/step, 2.89957 hours remaining, 206.718750 MB of memory in use. ENERGY: 1549800 756.6091 2022.9076 1936.4135 115.3121 -206565.5485 18159.4109 0.0000 0.0000 34291.9452 -149282.9501 299.4801 -183574.8952 -149182.9903 299.8229 54.2164 93.2260 557739.8293 -0.7063 -0.7373 PRESSURE: 1550000 44.2804 172.665 -20.2389 172.664 -2.20629 40.4051 -20.2378 40.4041 36.7669 GPRESSURE: 1550000 93.8986 51.2745 10.9089 246.394 25.3014 35.9672 3.04368 66.461 47.2919 PRESSAVG: 1550000 19.8696 -26.8937 19.9491 -26.8937 -61.3039 57.5687 19.9492 57.5686 17.8146 GPRESSAVG: 1550000 20.0796 -27.8666 19.8047 -26.01 -61.7469 58.1004 19.7264 56.7828 17.8363 TIMING: 1550000 CPU: 4626.33, 0.00301406/step Wall: 4626.33, 0.00301405/step, 2.88847 hours remaining, 206.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1550000 727.5348 2081.4682 1948.0626 105.7778 -206262.5784 17857.6054 0.0000 0.0000 34259.6551 -149282.4745 299.1981 -183542.1296 -149195.3581 299.7643 26.2803 55.4973 558521.3340 -7.8732 -7.9437 PRESSURE: 1550200 -83.7227 114.801 34.0673 114.802 -23.9502 -112.693 34.0681 -112.692 -108.194 GPRESSURE: 1550200 -67.1604 124.325 24.3807 51.2978 -2.24148 -123 25.7848 -85.3252 -52.431 PRESSAVG: 1550200 14.3141 -16.0268 -12.0638 -16.0268 30.7327 -18.0281 -12.0638 -18.028 -54.2267 GPRESSAVG: 1550200 14.6593 -13.9513 -12.7673 -17.6811 30.1237 -18.78 -12.2718 -16.3265 -53.8249 TIMING: 1550200 CPU: 4626.93, 0.00302355/step Wall: 4626.93, 0.00302355/step, 2.8974 hours remaining, 206.718750 MB of memory in use. ENERGY: 1550200 772.2905 2085.7194 1938.4050 105.8390 -206158.7662 17877.6897 0.0000 0.0000 34220.7623 -149158.0602 298.8584 -183378.8225 -149069.9918 298.9057 -71.9556 -40.6110 558367.3804 -3.0600 -3.0140 PRESSURE: 1550400 233.905 -78.7434 7.84339 -78.7438 74.7111 -86.2114 7.84414 -86.212 110.493 GPRESSURE: 1550400 260.992 -72.4298 101.974 -64.7558 140.358 -62.0752 -76.7249 -152.191 129.329 PRESSAVG: 1550400 -19.1262 38.763 -19.9082 38.7629 21.3893 -12.4544 -19.9081 -12.4543 32.5504 GPRESSAVG: 1550400 -19.991 37.4224 -20.2444 39.8128 22.225 -10.8502 -18.1181 -13.8643 32.7011 TIMING: 1550400 CPU: 4627.53, 0.00300861/step Wall: 4627.53, 0.00300861/step, 2.88292 hours remaining, 206.718750 MB of memory in use. ENERGY: 1550400 780.9233 2119.4986 1930.8312 120.7917 -206534.1360 18117.0982 0.0000 0.0000 34216.4621 -149248.5309 298.8209 -183464.9930 -149156.3297 299.0485 139.7028 176.8931 556625.7735 11.6045 11.6450 PRESSURE: 1550600 -109.654 -137.274 117.747 -137.274 -244.238 -90.6953 117.749 -90.6933 -109.289 GPRESSURE: 1550600 -74.1495 -104.105 75.237 -139.743 -220.359 -86.7098 114.04 -60.1627 -66.3701 PRESSAVG: 1550600 -6.03213 -55.2809 75.0518 -55.2809 20.1987 -44.0158 75.0518 -44.0158 -7.26053 GPRESSAVG: 1550600 -5.02101 -55.6686 75.394 -55.3365 19.9666 -44.686 72.3292 -42.8439 -7.69783 TIMING: 1550600 CPU: 4628.14, 0.003017/step Wall: 4628.14, 0.003017/step, 2.89079 hours remaining, 206.718750 MB of memory in use. ENERGY: 1550600 771.7601 2083.8091 1928.0504 113.8814 -205870.7730 17553.9794 0.0000 0.0000 34170.8087 -149248.4839 298.4222 -183419.2926 -149155.3877 299.0683 -154.3933 -120.2928 557665.5222 2.3020 2.4159 PRESSURE: 1550800 -32.803 45.6235 137.624 45.6217 -109.045 -113.408 137.624 -113.407 3.6854 GPRESSURE: 1550800 24.438 -50.5171 21.9876 108.39 -96.5013 -209.622 171.15 -193.092 29.8943 PRESSAVG: 1550800 -23.7712 25.4639 27.3892 25.4639 -18.4794 -94.1902 27.3892 -94.1902 32.4873 GPRESSAVG: 1550800 -25.5682 25.4771 26.3591 24.798 -17.2725 -96.3253 30.6297 -93.9792 33.6674 TIMING: 1550800 CPU: 4628.74, 0.00300963/step Wall: 4628.74, 0.00300963/step, 2.88356 hours remaining, 206.718750 MB of memory in use. ENERGY: 1550800 739.0168 2086.4552 1910.3331 102.4817 -206097.8402 17790.8912 0.0000 0.0000 34224.2430 -149244.4192 298.8888 -183468.6622 -149143.0220 299.2776 -46.0543 -14.0563 558543.0982 -3.2544 -3.0578 PRESSURE: 1551000 -140.369 -16.293 64.3637 -16.2926 -66.2827 -0.952567 64.3641 -0.952788 -77.3843 GPRESSURE: 1551000 -107.969 -100.553 -8.14547 32.179 -38.6557 -50.0999 129.732 -38.4364 -33.4735 PRESSAVG: 1551000 -3.00227 -35.2269 -53.0616 -35.2269 35.657 -22.5954 -53.0616 -22.5954 1.68643 GPRESSAVG: 1551000 -0.63213 -35.8714 -52.3194 -34.2727 33.8919 -21.1118 -51.7054 -24.3352 1.3193 TIMING: 1551000 CPU: 4629.34, 0.00298767/step Wall: 4629.34, 0.00298767/step, 2.86235 hours remaining, 206.718750 MB of memory in use. ENERGY: 1551000 705.6959 2087.3127 1927.2231 106.2888 -206002.3420 17622.8806 0.0000 0.0000 34256.6420 -149296.2989 299.1718 -183552.9409 -149199.2622 299.1726 -94.6785 -60.0327 557507.4198 11.4471 11.5264 PRESSURE: 1551200 1.24466 107.648 -157.767 107.648 -203.237 -9.99515 -157.765 -9.99415 -263.248 GPRESSURE: 1551200 50.8037 34.3812 -95.6539 217.675 -196.765 11.7401 -219.272 -29.8081 -223.652 PRESSAVG: 1551200 -29.556 5.35642 17.0144 5.35647 7.5548 -31.6269 17.0144 -31.6268 4.91603 GPRESSAVG: 1551200 -30.2165 6.28117 17.4326 2.93278 8.10725 -31.8634 13.5983 -29.7471 4.68002 TIMING: 1551200 CPU: 4629.94, 0.00300143/step Wall: 4629.94, 0.00300143/step, 2.87537 hours remaining, 206.718750 MB of memory in use. ENERGY: 1551200 711.3508 2047.5781 1917.4995 115.2720 -206236.5582 17668.8230 0.0000 0.0000 34329.4106 -149446.6242 299.8073 -183776.0348 -149345.0538 299.5458 -155.0802 -123.2045 557508.7028 -5.6951 -5.8097 PRESSURE: 1551400 120.638 193.688 53.9547 193.688 351.441 -69.2021 53.9539 -69.2025 30.5646 GPRESSURE: 1551400 186.198 182.106 8.18836 252.728 376.271 -0.619161 -41.9654 -31.2757 50.141 PRESSAVG: 1551400 -29.1589 32.9621 -5.25584 32.9623 -11.8712 0.362794 -5.25587 0.362772 45.1633 GPRESSAVG: 1551400 -29.1567 33.3488 -4.83153 34.2896 -11.4945 -1.27347 -2.08768 0.100014 44.5517 TIMING: 1551400 CPU: 4630.54, 0.00302101/step Wall: 4630.54, 0.00302101/step, 2.89396 hours remaining, 206.718750 MB of memory in use. ENERGY: 1551400 700.9618 2090.5633 1904.0380 115.1088 -206419.7026 17903.6587 0.0000 0.0000 34134.4230 -149570.9489 298.1044 -183705.3719 -149475.9865 299.0074 167.5480 204.2031 555232.2943 1.3777 1.3002 PRESSURE: 1551600 29.0101 67.2924 170.438 67.2924 -17.5567 -82.7466 170.438 -82.7473 16.1828 GPRESSURE: 1551600 10.6085 -27.4248 193.558 165.52 66.9243 -111.301 227.87 0.525874 53.3721 PRESSAVG: 1551600 18.3135 16.5912 82.7798 16.5912 6.28485 20.1109 82.7797 20.111 -24.2204 GPRESSAVG: 1551600 17.7957 13.6212 82.1565 17.7327 5.4405 19.9847 80.6272 21.7775 -23.2684 TIMING: 1551600 CPU: 4631.14, 0.00300718/step Wall: 4631.14, 0.00300718/step, 2.88055 hours remaining, 206.718750 MB of memory in use. ENERGY: 1551600 752.6659 2020.9105 1899.9409 100.1106 -206574.5466 17942.2943 0.0000 0.0000 34400.8974 -149457.7270 300.4316 -183858.6244 -149352.0264 298.7804 9.2121 43.6350 554465.0709 0.1260 -0.0107 PRESSURE: 1551800 -151.277 -58.9824 98.6026 -58.9828 -208.86 122.458 98.6024 122.455 -277.44 GPRESSURE: 1551800 -102.662 -72.8545 19.0427 -43.6125 -179.629 54.9848 62.891 142.927 -259.304 PRESSAVG: 1551800 24.8075 11.6669 18.0248 11.6668 -35.7189 -14.6675 18.0247 -14.6675 66.8344 GPRESSAVG: 1551800 24.4291 13.7719 19.1591 10.5113 -34.1659 -14.2236 20.4004 -16.4645 65.5653 TIMING: 1551800 CPU: 4631.75, 0.00301941/step Wall: 4631.75, 0.00301941/step, 2.89209 hours remaining, 206.718750 MB of memory in use. ENERGY: 1551800 756.3567 2082.1467 1940.8019 111.9944 -205939.2737 17332.5264 0.0000 0.0000 34183.9474 -149531.5002 298.5369 -183715.4476 -149433.2509 298.9122 -212.5257 -180.5318 555791.6822 18.6410 18.6095 PRESSURE: 1552000 89.384 -25.9503 102.91 -25.9497 7.41409 -91.2442 102.909 -91.2461 -22.4059 GPRESSURE: 1552000 146.449 70.618 117.791 -44.9649 44.8096 -22.8308 210.861 -109.655 -21.0805 PRESSAVG: 1552000 -32.0223 10.4719 10.2857 10.4719 -4.71424 15.4734 10.2857 15.4733 11.9307 GPRESSAVG: 1552000 -31.5178 13.5362 8.31458 7.03613 -5.90261 17.1961 11.3065 13.8018 12.4425 TIMING: 1552000 CPU: 4632.35, 0.00301101/step Wall: 4632.35, 0.00301101/step, 2.88388 hours remaining, 206.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1552000 764.7841 2065.5867 1943.5122 103.6536 -206033.2703 17860.4986 0.0000 0.0000 33880.3075 -149414.9276 295.8852 -183295.2351 -149321.4347 298.7848 24.7974 56.7262 558943.2536 -8.2686 -8.3260 PRESSURE: 1552200 -335.486 28.5557 103.311 28.5566 -205.219 -95.747 103.31 -95.7481 -266.231 GPRESSURE: 1552200 -285.346 52.2356 96.9053 50.0114 -182.093 -12.0993 45.3083 -164.279 -239.57 PRESSAVG: 1552200 -21.4108 7.51208 26.6978 7.51207 -16.1187 -8.14142 26.6978 -8.14144 16.4792 GPRESSAVG: 1552200 -21.9207 3.74681 26.9235 12.0335 -16.3102 -8.555 25.1456 -8.27466 17.4501 TIMING: 1552200 CPU: 4632.95, 0.00301185/step Wall: 4632.95, 0.00301186/step, 2.88452 hours remaining, 206.718750 MB of memory in use. ENERGY: 1552200 768.1571 2059.1842 1903.6242 117.4234 -206166.2845 17391.8105 0.0000 0.0000 34294.0978 -149631.9872 299.4989 -183926.0850 -149533.4345 298.2063 -268.9785 -235.6700 558433.5548 -7.0168 -6.9269 LDB: ============= START OF LOAD BALANCING ============== 4636.5 LDB: ============== END OF LOAD BALANCING =============== 4636.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4636.5 LDB: ============= START OF LOAD BALANCING ============== 4636.81 LDB: Largest compute 4773 load 0.028035 is 23.7% of average load 0.118118 LDB: Average compute 0.001733 is 1.5% of average load 0.118118 LDB: TIME 4636.81 LOAD: AVG 0.118118 MAX 0.211639 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.027 MB LDB: TIME 4636.81 LOAD: AVG 0.118118 MAX 0.211639 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.027 MB LDB: TIME 4636.81 LOAD: AVG 0.118118 MAX 0.211639 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.027 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4636.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4636.82 PRESSURE: 1552400 150.187 62.8731 43.432 62.8736 44.4431 41.9622 43.4315 41.9626 -389.526 GPRESSURE: 1552400 228.693 11.527 -38.5981 86.459 23.1169 52.1653 44.7985 62.3737 -346.963 PRESSAVG: 1552400 4.92166 8.68199 -5.70476 8.68191 25.285 -40.5674 -5.70483 -40.5674 -50.5157 GPRESSAVG: 1552400 5.91488 9.39073 -3.23909 6.77275 24.894 -40.9351 -5.60814 -39.4724 -50.7933 TIMING: 1552400 CPU: 4633.57, 0.00307865/step Wall: 4633.57, 0.00307865/step, 2.94832 hours remaining, 208.058594 MB of memory in use. ENERGY: 1552400 747.9857 2101.3103 1928.7683 108.5072 -206286.4939 17805.4893 0.0000 0.0000 34064.7019 -149529.7312 297.4955 -183594.4331 -149436.8246 298.2969 -64.9653 -31.7175 558126.4769 -6.7697 -6.6615 PRESSURE: 1552600 -156.578 -93.6948 58.6625 -93.6952 -66.1533 153.727 58.6617 153.728 -136.187 GPRESSURE: 1552600 -123.628 -54.3067 157.064 -139.29 -60.2034 131.487 103.307 158.37 -81.6033 PRESSAVG: 1552600 -33.5015 -66.9295 -39.6293 -66.9295 54.5013 -62.6456 -39.6293 -62.6458 -44.5625 GPRESSAVG: 1552600 -33.994 -65.355 -40.5751 -67.1409 55.1575 -61.3191 -40.0531 -62.633 -44.3473 TIMING: 1552600 CPU: 4634.17, 0.00301232/step Wall: 4634.17, 0.00301232/step, 2.88464 hours remaining, 208.058594 MB of memory in use. ENERGY: 1552600 719.0141 2026.7856 1926.9995 115.5552 -206255.5292 17695.4366 0.0000 0.0000 34166.2055 -149605.5327 298.3820 -183771.7382 -149510.3048 299.0115 -119.6394 -88.4782 557362.8093 -7.8542 -7.7279 PRESSURE: 1552800 -58.6708 147.856 31.2528 147.857 220.359 -113.478 31.2529 -113.478 -133.705 GPRESSURE: 1552800 -62.5923 204.713 -4.00104 32.6141 311.393 -155.345 109.669 -47.8147 -119.225 PRESSAVG: 1552800 -48.7099 -80.0968 -10.5127 -80.0967 88.9746 -1.87021 -10.5128 -1.87017 -44.4328 GPRESSAVG: 1552800 -48.8545 -80.9139 -10.5106 -81.3575 89.2167 -2.04919 -10.6894 -1.78061 -44.1899 TIMING: 1552800 CPU: 4634.77, 0.00298858/step Wall: 4634.77, 0.00298858/step, 2.86173 hours remaining, 208.058594 MB of memory in use. ENERGY: 1552800 734.8535 2083.4720 1908.1054 110.8888 -206401.0829 17875.8542 0.0000 0.0000 34240.9753 -149446.9338 299.0350 -183687.9091 -149349.5573 299.1702 9.3277 43.1920 557536.9467 -1.3894 -1.2759 PRESSURE: 1553000 -187.041 -45.6201 -137.84 -45.6197 -39.997 116.464 -137.841 116.464 -5.48817 GPRESSURE: 1553000 -129.792 -82.0958 -243.008 -7.08552 34.8927 87.7304 -126.392 147.681 -38.3616 PRESSAVG: 1553000 16.2197 15.8523 17.1015 15.8522 57.2 -34.9714 17.1015 -34.9715 -46.3306 GPRESSAVG: 1553000 16.1255 14.5 16.4002 18.486 57.8148 -35.6882 14.1255 -33.7306 -46.7947 TIMING: 1553000 CPU: 4635.37, 0.003005/step Wall: 4635.37, 0.003005/step, 2.87728 hours remaining, 208.253906 MB of memory in use. ENERGY: 1553000 715.9651 2045.6298 1963.6261 108.2818 -206439.9047 17898.5096 0.0000 0.0000 34145.3570 -149562.5353 298.1999 -183707.8923 -149462.9844 298.5180 -77.5086 -44.4204 559081.6009 9.0297 9.0485 PRESSURE: 1553200 -158.844 -103.907 -120.564 -103.907 41.7353 32.5778 -120.564 32.5781 -69.9835 GPRESSURE: 1553200 -109.766 -104.09 -96.8408 -107.629 36.7993 32.5717 -95.6686 15.9852 -25.0789 PRESSAVG: 1553200 -92.153 41.5333 -43.0558 41.5333 52.9145 -22.7454 -43.0558 -22.7454 -6.19887 GPRESSAVG: 1553200 -92.217 42.6277 -43.7921 42.1197 52.8412 -23.2474 -39.4666 -22.628 -6.27789 TIMING: 1553200 CPU: 4635.97, 0.00301041/step Wall: 4635.97, 0.00301041/step, 2.8823 hours remaining, 208.253906 MB of memory in use. ENERGY: 1553200 729.9292 2134.5035 1956.9849 114.4228 -206576.7699 17924.8726 0.0000 0.0000 34062.6404 -149653.4165 297.4775 -183716.0569 -149568.7310 298.5533 -62.3640 -32.6817 558534.0671 -15.1458 -15.2179 PRESSURE: 1553400 103.039 47.2983 -310.066 47.2967 299.913 -41.4222 -310.065 -41.4227 -165.945 GPRESSURE: 1553400 103.065 9.61129 -302.683 -17.8975 349.686 -121.804 -338.928 -55.9364 -115.708 PRESSAVG: 1553400 -27.3696 -17.7992 -54.0323 -17.7993 20.8271 -32.431 -54.0324 -32.4309 -46.0144 GPRESSAVG: 1553400 -27.8802 -15.8157 -51.5434 -21.3793 20.6676 -32.7203 -55.5361 -34.4461 -44.9953 TIMING: 1553400 CPU: 4636.57, 0.00302028/step Wall: 4636.57, 0.00302028/step, 2.89158 hours remaining, 208.253906 MB of memory in use. ENERGY: 1553400 707.9988 2051.1684 1940.7840 101.5253 -206644.2300 18027.3496 0.0000 0.0000 34179.7718 -149635.6321 298.5004 -183815.4040 -149537.1756 297.9461 79.0022 112.3477 557346.6486 -17.5190 -17.4026 PRESSURE: 1553600 -76.6385 -32.6833 -111.434 -32.6841 -169.731 51.2409 -111.433 51.2415 -326.334 GPRESSURE: 1553600 -57.9028 -7.30417 -113.2 -54.9611 -133.788 22.1052 -89.1001 84.5886 -293.708 PRESSAVG: 1553600 28.3793 20.8174 -37.3372 20.8173 29.6444 44.2312 -37.3373 44.2311 -25.5095 GPRESSAVG: 1553600 29.3458 17.3096 -38.0493 23.5618 29.5611 43.8507 -35.4915 44.8762 -26.2484 TIMING: 1553600 CPU: 4637.18, 0.00303632/step Wall: 4637.18, 0.00303632/step, 2.90677 hours remaining, 208.253906 MB of memory in use. ENERGY: 1553600 762.8356 2023.8636 1918.2948 119.5548 -206111.0648 17632.5584 0.0000 0.0000 34202.7375 -149451.2200 298.7010 -183653.9575 -149354.2084 298.5751 -190.9010 -161.7994 558325.7305 10.8381 10.8862 PRESSURE: 1553800 -134.665 123.472 89.0011 123.474 -213.019 71.9803 89.0021 71.98 -137.296 GPRESSURE: 1553800 -142.969 86.662 153.662 117.128 -135.97 99.5673 28.336 49.2676 -103.941 PRESSAVG: 1553800 -3.6671 -10.8386 -11.4513 -10.8385 34.0217 -18.2206 -11.4512 -18.2205 -36.6733 GPRESSAVG: 1553800 -4.46541 -11.2736 -11.6926 -10.4008 33.6655 -15.4579 -13.1026 -19.3393 -35.6758 TIMING: 1553800 CPU: 4637.78, 0.00300778/step Wall: 4637.78, 0.00300778/step, 2.87928 hours remaining, 208.253906 MB of memory in use. ENERGY: 1553800 712.6480 1983.3329 1920.0482 106.0629 -206176.4766 17555.4190 0.0000 0.0000 34131.9891 -149766.9766 298.0831 -183898.9657 -149663.5961 298.1068 -161.6600 -127.6268 556223.9297 -2.1062 -2.1586 PRESSURE: 1554000 -42.5939 72.2941 39.9813 72.2919 -165.983 226.576 39.9804 226.577 132.442 GPRESSURE: 1554000 61.4323 86.2936 60.912 86.4208 -201.653 169.002 63.8969 228.408 161.436 PRESSAVG: 1554000 -19.9566 -26.3384 -9.06985 -26.3385 -24.6116 54.1458 -9.0699 54.1458 114.706 GPRESSAVG: 1554000 -18.8272 -23.7303 -5.64878 -27.6508 -26.6667 50.3837 -8.31692 55.9454 115.595 TIMING: 1554000 CPU: 4638.38, 0.00301031/step Wall: 4638.38, 0.00301031/step, 2.88153 hours remaining, 208.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1554000 740.6266 2049.9993 1929.4955 105.6464 -206331.9800 17807.1429 0.0000 0.0000 34084.6156 -149614.4536 297.6694 -183699.0693 -149518.4435 298.5926 -25.3784 7.0718 556567.4956 23.3792 23.3671 PRESSURE: 1554200 -47.9934 82.3465 32.3054 82.3469 201.27 5.88202 32.3048 5.88096 162.17 GPRESSURE: 1554200 -15.7337 15.7592 33.6604 164.111 224.658 17.8791 83.3062 -14.861 214.395 PRESSAVG: 1554200 -24.6025 -26.7363 45.2373 -26.7364 -19.4179 63.259 45.2373 63.259 57.9668 GPRESSAVG: 1554200 -23.6762 -27.8368 41.0869 -26.961 -18.2246 62.059 46.5468 65.1158 56.1705 TIMING: 1554200 CPU: 4638.99, 0.00303438/step Wall: 4638.99, 0.00303438/step, 2.90441 hours remaining, 208.253906 MB of memory in use. ENERGY: 1554200 741.3782 2103.6783 1913.3493 110.4529 -206583.7079 18018.1702 0.0000 0.0000 34181.8705 -149514.8086 298.5188 -183696.6790 -149427.2807 298.9188 105.1489 141.1064 555895.3122 4.6488 4.7566 PRESSURE: 1554400 -23.06 -16.7538 156.032 -16.7549 -62.8243 13.4725 156.032 13.4725 237.156 GPRESSURE: 1554400 8.00747 -72.9614 200.758 59.484 -11.6057 -20.4488 126.221 54.6968 262.409 PRESSAVG: 1554400 -27.6615 -12.9649 40.1285 -12.9649 -33.5132 17.682 40.1284 17.682 39.0554 GPRESSAVG: 1554400 -28.3385 -12.8739 41.6074 -12.1702 -34.4582 20.1495 40.1477 17.3314 40.6905 TIMING: 1554400 CPU: 4639.6, 0.00302728/step Wall: 4639.6, 0.00302728/step, 2.89744 hours remaining, 208.253906 MB of memory in use. ENERGY: 1554400 764.1221 2082.2183 1910.0240 114.4987 -206266.4951 17930.7869 0.0000 0.0000 33875.0891 -149589.7561 295.8396 -183464.8452 -149493.2296 297.5210 50.4239 86.2701 556621.5283 -7.3731 -7.3688 PRESSURE: 1554600 26.0267 -105.239 39.4891 -105.242 -396.756 -49.555 39.4884 -49.5554 -165.95 GPRESSURE: 1554600 83.6012 -159.864 6.80229 -48.0916 -364.271 -58.5599 -46.148 -75.0928 -157.968 PRESSAVG: 1554600 11.637 1.03507 45.6159 1.03498 22.7757 2.33551 45.6159 2.33553 -23.1151 GPRESSAVG: 1554600 11.5377 4.3644 43.139 -1.72966 23.5683 4.03766 45.4737 -0.521374 -23.732 TIMING: 1554600 CPU: 4640.2, 0.0030403/step Wall: 4640.2, 0.0030403/step, 2.90973 hours remaining, 208.253906 MB of memory in use. ENERGY: 1554600 757.2683 2017.6627 1909.3925 112.5214 -205872.3946 17493.2670 0.0000 0.0000 34137.0021 -149445.2806 298.1269 -183582.2827 -149354.8041 298.5253 -178.8932 -146.2128 557835.9899 3.7658 3.7914 PRESSURE: 1554800 126.705 -209.871 47.3863 -209.872 -90.1368 -20.0644 47.3864 -20.0647 16.2719 GPRESSURE: 1554800 147.879 -184.978 47.0164 -202.669 -49.8933 -69.933 101.268 -27.8084 48.5094 PRESSAVG: 1554800 42.7857 -18.6833 4.59537 -18.6833 -16.7155 -49.8138 4.59544 -49.8137 -9.0214 GPRESSAVG: 1554800 43.0432 -23.2701 7.7771 -15.9141 -16.5559 -50.5271 3.40998 -49.3652 -9.01912 TIMING: 1554800 CPU: 4640.81, 0.0030196/step Wall: 4640.81, 0.0030196/step, 2.88976 hours remaining, 208.253906 MB of memory in use. ENERGY: 1554800 752.2372 2030.1737 1935.9326 107.4121 -206306.4623 17919.6209 0.0000 0.0000 34185.3483 -149375.7374 298.5491 -183561.0857 -149274.1848 298.8069 17.6133 48.8318 556898.4538 5.6829 5.8227 PRESSURE: 1555000 -110.671 -189.077 -88.196 -189.077 19.7835 -194.412 -88.1957 -194.412 -2.81552 GPRESSURE: 1555000 -67.1713 -95.1418 -139.003 -115.066 41.1719 -160.519 2.97792 -195.429 33.0287 PRESSAVG: 1555000 -52.949 -15.2474 33.7518 -15.2474 59.3831 -25.1357 33.7518 -25.1357 -6.56543 GPRESSAVG: 1555000 -54.0972 -14.0425 33.345 -15.0857 59.5693 -26.1289 35.6305 -24.7867 -5.90075 TIMING: 1555000 CPU: 4641.41, 0.00300905/step Wall: 4641.41, 0.00300905/step, 2.87949 hours remaining, 208.253906 MB of memory in use. ENERGY: 1555000 738.4456 2109.1171 1923.0678 114.9149 -206399.3672 17932.6141 0.0000 0.0000 34225.2765 -149355.9312 298.8979 -183581.2076 -149259.9545 298.7591 -31.2344 2.3431 556763.2603 -0.0438 -0.1429 PRESSURE: 1555200 20.0558 -124.428 -4.73573 -124.429 101.033 42.3057 -4.73609 42.3055 -7.13428 GPRESSURE: 1555200 59.6519 -155.257 25.1721 -56.6051 116.48 5.41226 -80.1481 45.9921 35.1088 PRESSAVG: 1555200 14.4481 6.47702 -37.9751 6.47709 39.2405 -39.4638 -37.9751 -39.4639 -37.8002 GPRESSAVG: 1555200 16.5049 5.95475 -38.6957 6.70389 38.3599 -39.5187 -38.6474 -38.7153 -38.7241 TIMING: 1555200 CPU: 4642.01, 0.00300013/step Wall: 4642.01, 0.00300014/step, 2.8708 hours remaining, 208.253906 MB of memory in use. ENERGY: 1555200 710.7943 2110.6170 1934.0797 112.7040 -206315.5063 17893.4512 0.0000 0.0000 34162.0535 -149391.8067 298.3457 -183553.8602 -149296.4928 298.6656 37.9848 70.4134 556951.0148 5.2962 5.3802 PRESSURE: 1555400 153.655 10.248 -53.416 10.2474 -232.586 84.7404 -53.4158 84.7408 -278.648 GPRESSURE: 1555400 161.494 -17.5599 -91.7492 72.3694 -180.003 131.711 26.2961 80.4321 -241.703 PRESSAVG: 1555400 40.1144 63.3312 -76.4914 63.3312 25.8002 11.7181 -76.4913 11.7182 -66.4149 GPRESSAVG: 1555400 39.8159 62.5766 -76.5834 63.2816 27.4534 11.5506 -77.1861 12.7394 -67.4717 TIMING: 1555400 CPU: 4642.61, 0.0029896/step Wall: 4642.61, 0.0029896/step, 2.86055 hours remaining, 208.253906 MB of memory in use. ENERGY: 1555400 778.2737 2041.2297 1901.2785 107.2594 -205812.6724 17395.6010 0.0000 0.0000 34491.4402 -149097.5899 301.2223 -183589.0301 -149003.9606 298.9220 -119.1931 -86.7373 556137.2160 -0.1668 -0.0674 PRESSURE: 1555600 134.784 -40.6625 -139.864 -40.6633 -107.647 212.722 -139.864 212.724 -345.794 GPRESSURE: 1555600 174.399 -43.2037 -184.904 -72.9641 -97.0603 162.005 -156.085 182.307 -312.709 PRESSAVG: 1555600 58.7116 -16.0741 -2.50309 -16.0741 -9.856 -23.3153 -2.50302 -23.3152 -20.5802 GPRESSAVG: 1555600 56.9837 -13.6926 -2.7242 -17.6321 -10.2222 -23.1558 -1.99009 -25.5326 -18.9816 TIMING: 1555600 CPU: 4643.21, 0.00299371/step Wall: 4643.21, 0.00299371/step, 2.86431 hours remaining, 208.253906 MB of memory in use. ENERGY: 1555600 741.1182 2109.3063 1929.8859 108.4743 -205928.9761 17525.6976 0.0000 0.0000 34282.2410 -149232.2529 299.3953 -183514.4939 -149137.6789 300.0987 -106.2190 -78.4570 557368.6932 9.4252 9.2600 PRESSURE: 1555800 -30.6128 -104.017 1.53669 -104.016 -6.8987 -37.3051 1.53675 -37.3049 -300.82 GPRESSURE: 1555800 12.0221 -7.46749 -9.68151 -168.091 16.1274 11.9021 -28.9897 -58.0718 -264.672 PRESSAVG: 1555800 29.4326 -12.3429 10.6696 -12.3429 -57.3451 4.87148 10.6697 4.87156 -22.5336 GPRESSAVG: 1555800 29.7152 -12.9676 10.8541 -11.9793 -57.6377 4.00763 9.50488 6.85933 -22.1629 TIMING: 1555800 CPU: 4643.81, 0.00300173/step Wall: 4643.81, 0.00300173/step, 2.87182 hours remaining, 208.253906 MB of memory in use. ENERGY: 1555800 771.4375 2098.9111 1921.9045 103.4283 -206319.1797 17838.2697 0.0000 0.0000 34474.4251 -149110.8035 301.0737 -183585.2286 -149013.3433 299.4976 -112.7771 -78.8408 557523.9246 -16.8154 -16.6951 PRESSURE: 1556000 -209.176 -43.2773 -183.416 -43.2771 155.623 35.0635 -183.414 35.0639 -88.3686 GPRESSURE: 1556000 -142.926 -4.74562 -159.529 52.4087 185.758 109.561 -173.224 43.626 -96.4577 PRESSAVG: 1556000 -30.7152 -28.9195 -22.3323 -28.9194 5.17105 73.5236 -22.3321 73.5236 47.8314 GPRESSAVG: 1556000 -28.8918 -30.0397 -23.0789 -28.0401 4.27138 74.5048 -18.2951 73.5553 47.2784 TIMING: 1556000 CPU: 4644.41, 0.00301348/step Wall: 4644.41, 0.00301348/step, 2.88289 hours remaining, 208.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1556000 765.7226 2133.8269 1911.5127 110.2389 -206206.6135 17768.9699 0.0000 0.0000 34419.5206 -149096.8220 300.5942 -183516.3425 -149004.0873 300.3063 -47.3069 -17.8753 555950.0023 7.4291 7.5526 PRESSURE: 1556200 -36.976 -172.287 -19.4892 -172.286 -109.767 -203.375 -19.4883 -203.375 -25.2088 GPRESSURE: 1556200 41.9451 -115.501 -18.004 -131.367 -109.929 -263.68 57.1712 -178.043 -10.3876 PRESSAVG: 1556200 33.7767 -5.28553 -8.14812 -5.28563 -27.6385 -40.0767 -8.14815 -40.0766 -8.7892 GPRESSAVG: 1556200 33.7626 -4.51629 -8.17158 -3.34295 -26.639 -42.1591 -9.1314 -39.5747 -9.55221 TIMING: 1556200 CPU: 4645.02, 0.00304756/step Wall: 4645.02, 0.00304756/step, 2.91533 hours remaining, 208.253906 MB of memory in use. ENERGY: 1556200 753.0746 2111.9344 1942.9697 107.7401 -206247.8265 17698.0399 0.0000 0.0000 34230.5619 -149403.5058 298.9440 -183634.0678 -149305.2403 300.0509 -57.3173 -26.1238 556726.7527 -0.8837 -0.8095 LDB: ============= START OF LOAD BALANCING ============== 4648.57 LDB: ============== END OF LOAD BALANCING =============== 4648.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4648.57 LDB: ============= START OF LOAD BALANCING ============== 4648.88 LDB: Largest compute 4772 load 0.027617 is 23.4% of average load 0.118118 LDB: Average compute 0.001738 is 1.5% of average load 0.118118 LDB: TIME 4648.88 LOAD: AVG 0.118118 MAX 0.211289 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 4648.88 LOAD: AVG 0.118118 MAX 0.211289 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.516 MB LDB: TIME 4648.88 LOAD: AVG 0.118118 MAX 0.211289 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.516 MB LDB: ============== END OF LOAD BALANCING =============== 4648.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4648.88 PRESSURE: 1556400 -51.9323 51.5653 143.235 51.5653 -334.214 20.1407 143.235 20.1406 57.0494 GPRESSURE: 1556400 23.1052 96.9768 82.3129 11.6401 -355.966 -3.59936 165.509 77.6947 107.523 PRESSAVG: 1556400 19.74 -35.2348 -1.35863 -35.2347 -97.7291 -42.5124 -1.35866 -42.5124 22.9673 GPRESSAVG: 1556400 19.5896 -34.9849 -1.73181 -37.0485 -97.6033 -39.3397 -2.86639 -45.5473 23.8212 TIMING: 1556400 CPU: 4645.64, 0.00308033/step Wall: 4645.64, 0.00308033/step, 2.94651 hours remaining, 205.804688 MB of memory in use. ENERGY: 1556400 809.2759 2080.7623 1936.6088 103.8657 -206509.7576 17936.7531 0.0000 0.0000 34258.6311 -149383.8608 299.1891 -183642.4918 -149285.8904 299.8229 -109.6990 -75.1127 556676.0062 -18.3406 -18.0642 PRESSURE: 1556600 -170.507 139.03 147.504 139.03 -317.911 -93.4908 147.504 -93.492 -297.961 GPRESSURE: 1556600 -131.807 113.895 221.379 153.184 -294.308 -128.759 153.166 -52.34 -264.276 PRESSAVG: 1556600 -32.0209 -20.3187 13.2551 -20.3187 17.7332 -13.0413 13.2552 -13.0412 29.5935 GPRESSAVG: 1556600 -32.7357 -20.1719 14.0368 -18.7278 18.2839 -13.5487 13.2795 -12.3974 30.1331 TIMING: 1556600 CPU: 4646.24, 0.00301005/step Wall: 4646.24, 0.00301005/step, 2.87911 hours remaining, 205.804688 MB of memory in use. ENERGY: 1556600 769.2923 2135.8822 1908.9541 109.0864 -206190.9190 17493.5446 0.0000 0.0000 34248.2810 -149525.8784 299.0988 -183774.1594 -149427.9240 298.7118 -262.1265 -230.1304 557419.3153 5.1019 5.2271 PRESSURE: 1556800 -117.242 -28.2687 106.221 -28.2691 302.516 92.0602 106.221 92.0584 -119.609 GPRESSURE: 1556800 -58.7746 2.24749 94.3356 -78.7711 316.2 127.203 87.1161 106.886 -92.6557 PRESSAVG: 1556800 -49.7134 -10.7469 15.0822 -10.7469 36.8891 -12.6542 15.0822 -12.6542 1.18741 GPRESSAVG: 1556800 -49.0553 -9.33968 15.305 -11.3211 35.3633 -13.5806 15.6491 -12.6052 1.33709 TIMING: 1556800 CPU: 4646.85, 0.00305202/step Wall: 4646.85, 0.00305202/step, 2.91908 hours remaining, 205.804688 MB of memory in use. ENERGY: 1556800 774.4088 2062.0018 1937.0261 115.6165 -206750.3455 18116.4118 0.0000 0.0000 34213.0993 -149531.7812 298.7915 -183744.8804 -149436.4811 298.3762 21.8883 54.9233 557367.5909 -3.8790 -4.1183 PRESSURE: 1557000 32.4716 71.2801 142.128 71.2798 -151.273 15.2825 142.127 15.2821 142.904 GPRESSURE: 1557000 101.743 26.4186 178.537 129.965 -139.858 37.4405 66.1481 93.116 140.617 PRESSAVG: 1557000 -3.32803 -90.7556 54.5884 -90.7555 -39.7627 -54.3417 54.5884 -54.3418 68.9667 GPRESSAVG: 1557000 -4.46884 -93.4861 56.4861 -91.2738 -39.3374 -51.5259 52.3106 -53.7311 69.5357 TIMING: 1557000 CPU: 4647.45, 0.00303132/step Wall: 4647.45, 0.00303132/step, 2.89912 hours remaining, 205.804688 MB of memory in use. ENERGY: 1557000 743.9524 2096.4654 1952.2035 119.9597 -206706.4607 17934.5407 0.0000 0.0000 34152.7902 -149706.5489 298.2648 -183859.3391 -149608.6777 298.1663 8.0340 34.1675 557513.6110 8.6253 8.5765 PRESSURE: 1557200 143.139 -42.0441 201.215 -42.0439 -57.5914 -164.542 201.216 -164.543 -173.464 GPRESSURE: 1557200 187.629 25.4074 243.841 -90.6168 -28.4422 -203.172 166.524 -133.098 -159.765 PRESSAVG: 1557200 11.7672 -56.3955 46.4684 -56.3954 -87.3349 -15.4624 46.4684 -15.4625 47.749 GPRESSAVG: 1557200 12.8261 -54.9993 44.65 -57.0847 -88.0624 -16.7538 48.8553 -15.2377 47.3897 TIMING: 1557200 CPU: 4648.06, 0.0030202/step Wall: 4648.06, 0.0030202/step, 2.88832 hours remaining, 205.804688 MB of memory in use. ENERGY: 1557200 753.2800 2129.1627 1930.2634 109.0278 -206858.4196 17993.9921 0.0000 0.0000 34144.6926 -149798.0009 298.1941 -183942.6935 -149710.3956 297.4298 -29.3053 -0.1930 557439.5179 -9.2729 -9.2822 PRESSURE: 1557400 325.268 34.1073 32.5482 34.1069 -13.2666 65.4404 32.5476 65.4407 157.221 GPRESSURE: 1557400 329.655 60.3495 57.8193 -8.74797 72.4005 -40.5204 79.0718 82.3511 164.787 PRESSAVG: 1557400 -24.7643 -39.2949 -4.21628 -39.295 -9.3836 -47.6964 -4.21621 -47.6964 30.8398 GPRESSAVG: 1557400 -24.6013 -40.5783 -3.30101 -37.3019 -8.03752 -48.795 -5.00599 -48.987 28.9723 TIMING: 1557400 CPU: 4648.65, 0.00297687/step Wall: 4648.65, 0.00297687/step, 2.84671 hours remaining, 205.804688 MB of memory in use. ENERGY: 1557400 760.2013 2071.2194 1935.9842 100.4376 -206838.2523 18194.9332 0.0000 0.0000 34095.7449 -149679.7317 297.7666 -183775.4766 -149588.1400 298.8816 156.4074 188.9475 556323.3807 -1.1027 -1.2222 PRESSURE: 1557600 174.579 -61.5259 -102.58 -61.5263 -144.811 44.1081 -102.579 44.1082 -253.12 GPRESSURE: 1557600 170.553 -92.8552 -90.9039 -4.79595 -62.4799 -18.559 -172.643 82.5652 -231.038 PRESSAVG: 1557600 17.5256 -42.9796 30.8535 -42.9796 26.6527 -50.5187 30.8535 -50.5187 -66.2164 GPRESSAVG: 1557600 15.7653 -40.9789 31.2626 -44.9905 27.3952 -51.7046 30.2346 -49.482 -64.8977 TIMING: 1557600 CPU: 4649.25, 0.00299097/step Wall: 4649.25, 0.00299097/step, 2.86003 hours remaining, 205.804688 MB of memory in use. ENERGY: 1557600 739.6450 2017.2587 1932.9098 121.5046 -206823.6132 17899.6099 0.0000 0.0000 34265.1593 -149847.5260 299.2462 -184112.6853 -149746.7879 297.8611 -74.4508 -40.9883 556416.4062 -7.3460 -7.2457 PRESSURE: 1557800 53.3124 111.668 -69.5469 111.666 -135.296 98.5189 -69.5463 98.5185 -158.321 GPRESSURE: 1557800 98.0149 103.329 -120.167 101.871 -99.5839 88.0289 -27.26 96.5216 -151.409 PRESSAVG: 1557800 45.2127 32.2456 -24.9075 32.2455 59.0721 3.3652 -24.9074 3.36513 -82.2564 GPRESSAVG: 1557800 47.6071 32.746 -27.4682 32.7254 57.1711 3.57678 -22.9061 2.96552 -82.1625 TIMING: 1557800 CPU: 4649.85, 0.0029768/step Wall: 4649.85, 0.0029768/step, 2.84632 hours remaining, 205.804688 MB of memory in use. ENERGY: 1557800 768.7297 2062.9010 1925.2043 113.0326 -206718.0850 17952.3622 0.0000 0.0000 34206.1996 -149689.6558 298.7312 -183895.8554 -149587.3866 298.1385 -80.1016 -50.9925 557455.6420 7.3428 7.5386 PRESSURE: 1558000 -639.726 30.0886 34.803 30.0876 -180.54 -162.959 34.8028 -162.958 -167.122 GPRESSURE: 1558000 -645.272 53.3356 29.3971 -22.1209 -134.958 -229.144 52.0208 -90.0034 -115.102 PRESSAVG: 1558000 -38.6275 -29.0048 16.4695 -29.0048 -4.48035 12.6959 16.4695 12.6959 45.7569 GPRESSAVG: 1558000 -39.9996 -31.8554 17.7658 -28.7967 -2.40983 11.8575 15.5732 13.2689 45.6598 TIMING: 1558000 CPU: 4650.44, 0.00298706/step Wall: 4650.44, 0.00298706/step, 2.85596 hours remaining, 205.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1558000 741.4715 2091.9503 1956.0766 102.8045 -206020.4711 17376.1880 0.0000 0.0000 34165.6531 -149586.3271 298.3771 -183751.9802 -149490.8987 297.9615 -329.1294 -298.4438 557953.6188 0.8830 1.0835 PRESSURE: 1558200 -139.595 198.4 -138.144 198.401 12.1407 -22.3107 -138.143 -22.3112 -52.6119 GPRESSURE: 1558200 -153.081 191.903 -210.779 165.387 70.8468 -17.1005 -81.9753 -86.537 7.74368 PRESSAVG: 1558200 -69.3383 -43.7805 -16.6909 -43.7804 0.50977 -33.563 -16.691 -33.563 25.8385 GPRESSAVG: 1558200 -69.0052 -41.4849 -16.6853 -44.4442 -1.53498 -33.1222 -15.7491 -32.3365 27.314 TIMING: 1558200 CPU: 4651.04, 0.00295906/step Wall: 4651.04, 0.00295906/step, 2.82902 hours remaining, 206.003906 MB of memory in use. ENERGY: 1558200 735.9471 2114.0379 1940.5737 106.3000 -206472.8334 17801.8262 0.0000 0.0000 34264.6975 -149509.4510 299.2421 -183774.1484 -149416.4349 298.3961 -60.0221 -24.8300 557050.7167 -14.3300 -14.4087 PRESSURE: 1558400 -283.575 -86.8054 150.03 -86.8054 -18.6305 -59.8668 150.03 -59.8664 -132.91 GPRESSURE: 1558400 -240.945 -145.823 154.132 -61.8781 16.2526 -163.638 11.59 -46.5506 -95.3367 PRESSAVG: 1558400 -33.1669 30.0528 -27.5361 30.0528 79.7254 7.52896 -27.5361 7.52897 13.1764 GPRESSAVG: 1558400 -32.3386 28.8763 -27.8861 29.7157 80.7493 8.227 -28.6068 6.22789 11.9296 TIMING: 1558400 CPU: 4651.63, 0.00297021/step Wall: 4651.63, 0.00297021/step, 2.83952 hours remaining, 206.003906 MB of memory in use. ENERGY: 1558400 751.7266 2081.3567 1947.3834 124.3313 -206624.3498 17878.3539 0.0000 0.0000 34343.1234 -149498.0745 299.9270 -183841.1979 -149407.7060 298.3067 -145.0387 -106.6765 559482.6504 19.9116 20.1134 PRESSURE: 1558600 -75.2233 -49.0904 52.0754 -49.0914 413.403 158.303 52.0755 158.305 -24.2934 GPRESSURE: 1558600 -66.933 -47.6128 72.4456 -22.4219 402.605 155.532 60.1196 219.494 78.0043 PRESSAVG: 1558600 -39.9194 -82.9526 -20.2068 -82.9526 41.6781 74.3511 -20.2068 74.3513 -7.89636 GPRESSAVG: 1558600 -40.2095 -84.2367 -17.2417 -81.0333 41.7629 74.5813 -22.079 75.5607 -7.05162 TIMING: 1558600 CPU: 4652.23, 0.00298049/step Wall: 4652.23, 0.00298049/step, 2.84918 hours remaining, 206.003906 MB of memory in use. ENERGY: 1558600 691.0832 2093.7688 1936.2138 113.5826 -206671.1218 17978.8280 0.0000 0.0000 34297.6503 -149559.9951 299.5299 -183857.6454 -149459.9233 298.5060 104.6288 137.8920 558328.2697 -2.0459 -1.8327 PRESSURE: 1558800 -150.416 -59.4769 41.4745 -59.4772 -70.6709 17.0342 41.4744 17.0331 113.847 GPRESSURE: 1558800 -138.247 -41.5988 59.9778 60.351 -30.3439 -21.5636 -21.3876 18.9929 153.812 PRESSAVG: 1558800 -71.7532 -21.5853 19.2962 -21.5853 21.6221 14.8168 19.2961 14.8169 62.9252 GPRESSAVG: 1558800 -71.5116 -22.0619 17.2742 -20.8006 21.3768 14.9161 20.967 12.1065 62.8154 TIMING: 1558800 CPU: 4652.82, 0.00299232/step Wall: 4652.82, 0.00299232/step, 2.86032 hours remaining, 206.003906 MB of memory in use. ENERGY: 1558800 730.9427 2078.1958 1925.0402 106.0124 -206571.8675 17886.3145 0.0000 0.0000 34330.1422 -149515.2197 299.8137 -183845.3619 -149417.4855 298.9999 -35.7467 -4.9262 558938.6304 4.2647 4.2268 PRESSURE: 1559000 -147.203 -33.305 -47.8029 -33.305 -215.34 -87.3799 -47.8025 -87.3808 -91.391 GPRESSURE: 1559000 -114.611 14.8543 -37.9921 -96.8298 -185.611 -90.5578 -43.8299 -186.662 -61.3009 PRESSAVG: 1559000 29.9201 -16.9543 35.2079 -16.9543 -15.7159 -8.15064 35.208 -8.15053 14.8968 GPRESSAVG: 1559000 30.337 -16.3566 34.8266 -17.7916 -15.1815 -7.38083 35.377 -7.04959 14.3461 TIMING: 1559000 CPU: 4653.42, 0.00299868/step Wall: 4653.42, 0.00299868/step, 2.86624 hours remaining, 206.003906 MB of memory in use. ENERGY: 1559000 760.6340 2099.8709 1927.3944 122.7630 -206401.7391 17758.6243 0.0000 0.0000 34323.0937 -149409.3589 299.7521 -183732.4525 -149314.5670 298.9562 -151.3114 -120.5076 558492.4366 9.7003 9.8338 PRESSURE: 1559200 -185.456 -92.6887 -25.8001 -92.6884 13.4651 -20.686 -25.7996 -20.6854 138.604 GPRESSURE: 1559200 -101.349 -159.898 -82.3573 -31.2553 25.1204 -92.2339 -37.8119 28.4117 139.803 PRESSAVG: 1559200 55.1812 -44.9396 -3.4534 -44.9396 -72.0003 24.0413 -3.45339 24.0412 6.54507 GPRESSAVG: 1559200 54.9187 -43.9739 -2.28595 -46.2067 -72.4379 22.6746 -3.97499 25.1981 7.41587 TIMING: 1559200 CPU: 4654.03, 0.00301639/step Wall: 4654.03, 0.00301639/step, 2.883 hours remaining, 206.003906 MB of memory in use. ENERGY: 1559200 790.8889 2090.9045 1902.0150 114.6110 -206750.8926 17932.7649 0.0000 0.0000 34361.3467 -149558.3616 300.0862 -183919.7082 -149463.7428 298.4089 -11.1289 21.1913 556210.0196 -3.4247 -3.3678 PRESSURE: 1559400 -25.7675 -121.539 47.8334 -121.54 -75.6159 -198.006 47.8332 -198.008 -315.815 GPRESSURE: 1559400 14.9458 -128.832 75.91 -111.989 -54.0085 -88.7832 30.019 -275.387 -295.401 PRESSAVG: 1559400 -43.2099 -79.746 -29.3189 -79.746 31.8113 34.0913 -29.3189 34.0912 -13.672 GPRESSAVG: 1559400 -43.5091 -77.7231 -31.1686 -82.3789 31.9451 33.3081 -27.6862 33.012 -14.5871 TIMING: 1559400 CPU: 4654.63, 0.00301198/step Wall: 4654.63, 0.00301198/step, 2.87862 hours remaining, 206.003906 MB of memory in use. ENERGY: 1559400 758.0739 2146.0473 1911.6374 115.3681 -206146.5079 17544.5690 0.0000 0.0000 34383.7529 -149287.0592 300.2819 -183670.8121 -149189.6037 299.4932 -139.0663 -111.4879 558098.9684 -8.3569 -8.7170 PRESSURE: 1559600 370.981 93.061 -82.7473 93.061 238.848 -45.828 -82.7471 -45.8286 5.5989 GPRESSURE: 1559600 382.368 47.9137 -76.5314 115.467 256.171 -54.8996 -118.769 28.7533 72.5013 PRESSAVG: 1559600 47.4849 -40.5443 -29.911 -40.5443 -21.7162 15.9079 -29.911 15.908 -53.6802 GPRESSAVG: 1559600 48.2718 -41.2976 -29.2178 -37.9654 -22.1447 17.7024 -31.9646 17.5777 -54.6786 TIMING: 1559600 CPU: 4655.23, 0.00299584/step Wall: 4655.23, 0.00299583/step, 2.86302 hours remaining, 206.003906 MB of memory in use. ENERGY: 1559600 735.7041 2080.7860 1939.5364 113.6992 -206491.2395 17922.9573 0.0000 0.0000 34491.2350 -149207.3216 301.2205 -183698.5566 -149115.6216 299.4486 205.1425 237.0136 555106.4475 -9.3038 -9.5171 PRESSURE: 1559800 78.9434 232.061 51.8462 232.062 22.3042 -136.209 51.8479 -136.211 -78.0434 GPRESSURE: 1559800 103.603 222.899 27.0658 273.681 143.673 -169.238 126.658 -111.626 -137.021 PRESSAVG: 1559800 3.01195 6.02919 -33.7356 6.02914 -26.9605 -1.73286 -33.7355 -1.73286 11.3891 GPRESSAVG: 1559800 1.89909 3.16135 -34.6203 5.78972 -26.4265 -0.517374 -31.4896 -3.58462 12.504 TIMING: 1559800 CPU: 4655.83, 0.00299998/step Wall: 4655.83, 0.00299998/step, 2.86681 hours remaining, 206.003906 MB of memory in use. ENERGY: 1559800 743.1566 2109.8206 1932.6819 122.4048 -206049.7658 17763.0693 0.0000 0.0000 34228.1529 -149150.4798 298.9230 -183378.6327 -149054.4303 299.7061 7.7347 36.7516 557208.9781 -4.1865 -4.0078 PRESSURE: 1560000 -93.3546 45.3624 -46.072 45.3618 -110.927 17.7181 -46.071 17.7167 57.6817 GPRESSURE: 1560000 -40.385 56.0938 -0.640698 1.9336 -88.0286 -72.5295 -64.5231 20.885 78.6921 PRESSAVG: 1560000 -40.4609 33.0773 -18.7141 33.0773 -27.4049 -34.3572 -18.7141 -34.3571 40.9383 GPRESSAVG: 1560000 -39.4011 33.5221 -18.611 33.6843 -29.3187 -33.9527 -20.8369 -33.4017 41.5949 TIMING: 1560000 CPU: 4656.43, 0.00301558/step Wall: 4656.43, 0.00301558/step, 2.88155 hours remaining, 206.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1560000 793.0998 2150.2096 1952.8790 119.9516 -205913.9254 17659.9576 0.0000 0.0000 34103.6841 -149134.1436 297.8360 -183237.8277 -149041.2023 299.4601 -48.8668 -16.5738 557509.5939 -8.9758 -9.0417 PRESSURE: 1560200 50.5783 247.917 49.2653 247.916 -5.63464 72.352 49.2656 72.3522 119.688 GPRESSURE: 1560200 159.748 217.3 99.3353 279.382 -1.44977 164.91 40.8826 54.5746 103.226 PRESSAVG: 1560200 -22.3576 61.4616 -46.8111 61.4617 -17.4853 -2.80964 -46.811 -2.80958 45.4875 GPRESSAVG: 1560200 -22.9227 62.6598 -45.0328 60.6966 -15.9467 -4.71217 -47.6289 -1.63943 44.6545 TIMING: 1560200 CPU: 4657.03, 0.00300533/step Wall: 4657.03, 0.00300533/step, 2.87159 hours remaining, 206.003906 MB of memory in use. ENERGY: 1560200 748.4374 2049.2971 1930.3020 115.4756 -206413.5272 17901.7983 0.0000 0.0000 34341.2205 -149326.9963 299.9104 -183668.2167 -149228.2170 299.1032 54.8773 87.1747 557008.8278 1.8815 1.9284 LDB: ============= START OF LOAD BALANCING ============== 4660.58 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4660.58 LDB: =============== DONE WITH MIGRATION ================ 4660.59 LDB: ============= START OF LOAD BALANCING ============== 4660.89 LDB: Largest compute 4772 load 0.027019 is 22.9% of average load 0.118170 LDB: Average compute 0.001734 is 1.5% of average load 0.118170 LDB: TIME 4660.89 LOAD: AVG 0.11817 MAX 0.20912 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.777 MB LDB: TIME 4660.89 LOAD: AVG 0.11817 MAX 0.20912 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: TIME 4660.89 LOAD: AVG 0.11817 MAX 0.20912 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: ============== END OF LOAD BALANCING =============== 4660.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4660.89 PRESSURE: 1560400 30.3877 115.991 -14.5988 115.991 93.1136 70.3433 -14.5991 70.3439 -122.874 GPRESSURE: 1560400 11.6345 112.329 49.6786 55.1898 137.538 -69.8358 -74.9045 166.48 -44.7951 PRESSAVG: 1560400 -27.8374 45.6824 51.5836 45.6823 7.70973 33.9614 51.5836 33.9614 -5.11285 GPRESSAVG: 1560400 -27.8033 46.0757 49.4852 45.4249 7.60297 35.9088 52.7987 30.3047 -5.46692 TIMING: 1560400 CPU: 4657.64, 0.00305577/step Wall: 4657.64, 0.00305577/step, 2.91962 hours remaining, 206.714844 MB of memory in use. ENERGY: 1560400 733.1398 2087.3753 1937.0028 115.7804 -206287.5619 17792.8480 0.0000 0.0000 34187.7296 -149433.6859 298.5699 -183621.4155 -149343.2881 298.5774 0.2092 34.7923 556822.3857 -8.4135 -8.5558 PRESSURE: 1560600 101.168 -53.202 114.16 -53.2018 176.241 -174.262 114.162 -174.262 221.113 GPRESSURE: 1560600 128.918 -55.2733 90.766 -33.7672 233.696 -98.4619 79.8223 -162.753 230.55 PRESSAVG: 1560600 12.194 12.5897 32.7633 12.5897 27.1002 -34.966 32.7634 -34.966 -23.982 GPRESSAVG: 1560600 10.698 12.8173 31.0922 12.8824 27.3534 -33.2163 32.3669 -33.7087 -22.8426 TIMING: 1560600 CPU: 4658.24, 0.00299899/step Wall: 4658.24, 0.00299899/step, 2.8652 hours remaining, 206.714844 MB of memory in use. ENERGY: 1560600 736.3483 2097.2935 1895.7246 107.6867 -206337.0917 17942.9545 0.0000 0.0000 34310.5056 -149246.5783 299.6422 -183557.0840 -149139.5651 299.7402 166.1741 197.7212 555127.0822 5.1041 5.0696 PRESSURE: 1560800 156.503 -16.097 37.2642 -16.0954 99.6741 42.8812 37.2649 42.8809 66.5441 GPRESSURE: 1560800 235.804 6.98725 16.3704 -14.2065 195.862 18.8762 50.8487 80.4227 -8.47746 PRESSAVG: 1560800 52.4511 -33.9829 75.5073 -33.9829 -27.0053 -20.9238 75.5072 -20.9237 -19.709 GPRESSAVG: 1560800 53.9421 -34.9832 77.1137 -34.5881 -26.8706 -22.3395 75.888 -20.2325 -20.5087 TIMING: 1560800 CPU: 4658.84, 0.00299367/step Wall: 4658.84, 0.00299367/step, 2.85995 hours remaining, 206.714844 MB of memory in use. ENERGY: 1560800 768.0017 2078.2502 1913.4856 110.9883 -206299.3239 17910.7290 0.0000 0.0000 34219.6276 -149298.2416 298.8485 -183517.8691 -149205.7515 299.5030 107.5738 141.0627 556246.9156 1.9123 2.1876 PRESSURE: 1561000 -368.094 17.8727 53.7722 17.873 -324.472 156.929 53.7728 156.928 -138.124 GPRESSURE: 1561000 -308.406 -54.8985 -7.92213 9.22293 -246.774 130.512 80.5053 179.14 -166.548 PRESSAVG: 1561000 -1.7293 10.9215 3.88107 10.9213 19.7735 47.498 3.8811 47.498 15.03 GPRESSAVG: 1561000 -1.55339 11.115 3.49727 10.9139 19.2309 46.8507 3.23285 50.3562 15.6872 TIMING: 1561000 CPU: 4659.44, 0.00299769/step Wall: 4659.44, 0.00299769/step, 2.86363 hours remaining, 206.714844 MB of memory in use. ENERGY: 1561000 767.2739 2088.4986 1928.1227 103.6298 -205937.2529 17581.2397 0.0000 0.0000 34151.0967 -149317.3915 298.2500 -183468.4882 -149214.7918 299.0369 -276.8965 -240.5759 556853.9733 11.0247 11.1216 PRESSURE: 1561200 -57.309 89.934 -165.638 89.9341 -169.884 -45.1314 -165.639 -45.132 -31.0194 GPRESSURE: 1561200 -26.9977 72.2761 -261.595 168.04 -143.251 -34.827 -78.0566 11.0331 4.24665 PRESSAVG: 1561200 27.7097 51.8828 2.12333 51.8828 5.2358 107.065 2.12332 107.065 -50.848 GPRESSAVG: 1561200 28.9765 51.6171 3.14498 51.3338 4.43131 108.2 4.0197 106.312 -51.3474 TIMING: 1561200 CPU: 4660.04, 0.0029916/step Wall: 4660.04, 0.0029916/step, 2.85764 hours remaining, 206.714844 MB of memory in use. ENERGY: 1561200 743.4526 2088.5584 1928.8602 113.4507 -205956.5961 17636.9021 0.0000 0.0000 34298.7210 -149146.6512 299.5393 -183445.3722 -149044.1832 299.2324 -86.0707 -55.3341 558037.8092 -5.9675 -5.9799 PRESSURE: 1561400 -112.783 -41.9876 118.402 -41.9883 -271.355 -10.9349 118.401 -10.9353 -168.393 GPRESSURE: 1561400 -49.5976 -1.07042 12.3679 -102.677 -260.79 29.8385 156.343 -33.2158 -143.55 PRESSAVG: 1561400 18.6971 3.23509 6.42638 3.23506 17.5104 58.4584 6.42642 58.4584 31.6587 GPRESSAVG: 1561400 17.4091 1.74739 6.69939 5.75183 17.6041 57.5302 5.91129 56.8048 32.5767 TIMING: 1561400 CPU: 4660.64, 0.00300292/step Wall: 4660.64, 0.00300292/step, 2.86829 hours remaining, 206.714844 MB of memory in use. ENERGY: 1561400 747.0287 2078.5883 1919.8096 120.8520 -205617.8002 17320.1530 0.0000 0.0000 34178.9898 -149252.3788 298.4936 -183431.3686 -149161.4119 299.5496 -184.1768 -151.3125 556324.0215 22.6221 22.5300 PRESSURE: 1561600 18.2652 -155.261 6.94963 -155.261 28.5362 -67.2298 6.95012 -67.2298 174.967 GPRESSURE: 1561600 24.4397 -96.001 -82.5368 -78.9196 89.5007 -93.4261 10.1925 22.8866 207.243 PRESSAVG: 1561600 -29.7757 -22.5297 28.8238 -22.5295 53.4515 -28.5192 28.8238 -28.5191 -58.8405 GPRESSAVG: 1561600 -30.8563 -20.7679 29.7771 -24.5133 54.3571 -29.5193 28.4324 -27.6568 -58.6118 TIMING: 1561600 CPU: 4661.24, 0.00300025/step Wall: 4661.24, 0.00300025/step, 2.86557 hours remaining, 206.714844 MB of memory in use. ENERGY: 1561600 749.9564 2085.6023 1923.3585 116.7734 -206014.3138 17800.6154 0.0000 0.0000 34229.6865 -149108.3214 298.9364 -183338.0079 -149017.0940 299.7486 73.9227 107.0610 556241.1975 -11.7216 -11.7037 PRESSURE: 1561800 213.758 -90.1167 -46.8935 -90.1167 550.452 298.806 -46.8935 298.805 184.636 GPRESSURE: 1561800 212.782 -72.5535 -37.4481 -218.245 604.252 242.142 25.4532 256.487 227.781 PRESSAVG: 1561800 -23.4919 -42.1392 3.1426 -42.1392 -48.7057 41.617 3.14275 41.617 48.3108 GPRESSAVG: 1561800 -22.3515 -42.5147 2.68351 -40.3636 -48.8813 40.8971 2.83515 41.927 47.0482 TIMING: 1561800 CPU: 4661.85, 0.00305348/step Wall: 4661.85, 0.00305348/step, 2.91624 hours remaining, 206.714844 MB of memory in use. ENERGY: 1561800 732.5628 2110.9774 1898.4849 119.2369 -206841.2292 18224.1758 0.0000 0.0000 34523.3780 -149232.4135 301.5012 -183755.7915 -149130.5295 300.4886 316.2819 348.2716 554923.5291 -7.9623 -8.0615 PRESSURE: 1562000 317.797 -140.397 20.5584 -140.397 79.009 40.4795 20.5576 40.4781 216.531 GPRESSURE: 1562000 383.602 -46.7046 34.3544 -208.319 90.21 69.1909 -40.8155 38.6193 255.642 PRESSAVG: 1562000 45.7642 21.3271 30.2289 21.3271 26.8679 -14.8697 30.2288 -14.8698 2.5428 GPRESSAVG: 1562000 45.4574 21.9059 28.7986 20.5301 27.1165 -13.9817 31.1434 -14.7121 2.68849 TIMING: 1562000 CPU: 4662.46, 0.0030521/step Wall: 4662.46, 0.0030521/step, 2.91475 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1562000 732.0517 2045.3711 1923.0470 110.5970 -206401.9772 18109.0568 0.0000 0.0000 34271.6517 -149210.2019 299.3029 -183481.8536 -149120.3117 299.3238 204.4458 243.1515 556619.9180 25.0583 25.0875 PRESSURE: 1562200 -232.095 141.221 -86.2577 141.221 72.7887 84.0722 -86.2586 84.0715 143.171 GPRESSURE: 1562200 -219.899 110.377 -34.2121 80.153 125.658 168.694 -218.309 72.5585 174.171 PRESSAVG: 1562200 -119.939 -29.9321 7.04148 -29.9321 33.535 56.4994 7.0414 56.4994 -1.03723 GPRESSAVG: 1562200 -120.502 -30.6903 7.48955 -28.5484 33.3497 55.4661 5.88721 54.3123 -0.524806 TIMING: 1562200 CPU: 4663.06, 0.00298736/step Wall: 4663.06, 0.00298736/step, 2.85276 hours remaining, 206.714844 MB of memory in use. ENERGY: 1562200 724.0755 2148.9853 1929.9778 105.3082 -206470.8658 17911.1877 0.0000 0.0000 34330.3686 -149320.9628 299.8156 -183651.3314 -149225.9370 299.5012 -5.3782 26.6431 558542.1691 -29.1471 -29.2256 PRESSURE: 1562400 -84.8065 133.311 -133.675 133.31 -151.477 -233.335 -133.675 -233.335 225.703 GPRESSURE: 1562400 -99.5302 135.409 -112.729 103.424 -47.9483 -223.416 -104.189 -195.418 241.206 PRESSAVG: 1562400 -78.0509 -31.1081 -21.6655 -31.1081 -34.7052 3.30337 -21.6656 3.30334 122.859 GPRESSAVG: 1562400 -78.0744 -30.9673 -21.9247 -32.8145 -34.5991 2.72062 -21.8177 5.773 122.498 TIMING: 1562400 CPU: 4663.66, 0.00301668/step Wall: 4663.66, 0.00301668/step, 2.8806 hours remaining, 206.714844 MB of memory in use. ENERGY: 1562400 758.6051 2058.8619 1919.6646 114.9390 -206469.5331 17909.2857 0.0000 0.0000 34422.1544 -149286.0223 300.6172 -183708.1767 -149187.2694 299.0382 -3.5269 31.2426 556952.4279 3.3676 3.2749 PRESSURE: 1562600 -227.774 85.6234 48.8532 85.6235 118.109 -134.396 48.853 -134.395 38.8805 GPRESSURE: 1562600 -147.68 26.7122 82.494 42.4355 119.035 -103.418 -101.52 -134.064 57.9589 PRESSAVG: 1562600 -16.9715 19.8959 -26.1638 19.896 -0.0354259 -23.9739 -26.1638 -23.974 35.3727 GPRESSAVG: 1562600 -15.8056 18.9326 -24.6739 19.9879 -0.441179 -21.2525 -27.5065 -25.5221 34.9714 TIMING: 1562600 CPU: 4664.27, 0.00301627/step Wall: 4664.27, 0.00301627/step, 2.88004 hours remaining, 206.714844 MB of memory in use. ENERGY: 1562600 742.8256 2091.2909 1928.4235 118.6539 -205981.7424 17701.2809 0.0000 0.0000 34246.4230 -149152.8446 299.0825 -183399.2676 -149054.1597 299.4412 -23.5949 9.7712 557334.6139 6.1219 6.2415 PRESSURE: 1562800 145.581 -91.1797 32.2311 -91.1803 115.571 38.8968 32.2314 38.8976 -79.5377 GPRESSURE: 1562800 129.492 -44.9718 -60.0912 -79.0123 220.285 -19.6413 102.593 96.2907 -75.9826 PRESSAVG: 1562800 34.6234 -34.0996 59.3064 -34.0995 -5.90616 -13.3261 59.3065 -13.3261 -26.4387 GPRESSAVG: 1562800 33.7314 -33.7819 58.2589 -34.7488 -5.99496 -14.5119 60.4287 -15.1037 -25.9724 TIMING: 1562800 CPU: 4664.87, 0.00302131/step Wall: 4664.87, 0.00302131/step, 2.88468 hours remaining, 206.714844 MB of memory in use. ENERGY: 1562800 719.5191 2105.6058 1912.2568 115.0840 -206040.6597 17679.8286 0.0000 0.0000 34219.5581 -149288.8074 298.8479 -183508.3655 -149195.3021 299.6978 60.5382 91.2647 556386.6105 0.7595 0.5880 PRESSURE: 1563000 -161.47 -52.4293 146.059 -52.4286 160.359 -7.61095 146.059 -7.61365 -348.634 GPRESSURE: 1563000 -137.565 -17.4729 117.638 -52.7275 174.25 -67.3243 141.595 8.8316 -286.668 PRESSAVG: 1563000 32.2887 -26.6034 58.5917 -26.6034 2.87241 41.8377 58.5916 41.8378 -23.8797 GPRESSAVG: 1563000 32.5589 -25.808 57.9634 -27.1296 2.28778 42.8394 60.1633 43.6249 -23.9893 TIMING: 1563000 CPU: 4665.48, 0.00303278/step Wall: 4665.48, 0.00303278/step, 2.89547 hours remaining, 206.714844 MB of memory in use. ENERGY: 1563000 772.6967 2051.7356 1961.3510 121.1508 -205965.6937 17623.9338 0.0000 0.0000 34446.7640 -148988.0618 300.8322 -183434.8258 -148889.5636 299.8253 -116.5816 -83.3276 558015.9166 3.7605 3.6191 PRESSURE: 1563200 1.44918 -65.1184 -7.27801 -65.1181 -233.882 -139.427 -7.27836 -139.428 -202.224 GPRESSURE: 1563200 80.6267 -136.18 62.007 -29.2227 -229.75 -175.931 -39.2188 -36.4992 -178.818 PRESSAVG: 1563200 -11.8199 -48.696 47.5358 -48.696 22.3184 -46.7115 47.5359 -46.7116 -18.5072 GPRESSAVG: 1563200 -11.0202 -50.4326 47.2746 -46.8198 22.4647 -46.9772 47.0277 -46.307 -19.3744 TIMING: 1563200 CPU: 4666.08, 0.00300599/step Wall: 4666.08, 0.00300599/step, 2.86972 hours remaining, 206.714844 MB of memory in use. ENERGY: 1563200 758.5273 2103.1188 1938.5052 115.1897 -205994.8639 17738.3057 0.0000 0.0000 34252.7178 -149088.4995 299.1375 -183341.2173 -148995.6892 299.5027 -144.8855 -109.3136 558722.6663 -2.6696 -2.6433 PRESSURE: 1563400 -232.301 -16.0139 4.84743 -16.0137 -19.203 -6.63007 4.84738 -6.63077 -61.9661 GPRESSURE: 1563400 -196.437 -24.546 4.61674 33.4888 -3.93562 14.3507 -23.2886 20.7436 -13.4286 PRESSAVG: 1563400 28.4122 -1.57326 -30.7731 -1.57328 19.3535 8.3841 -30.7731 8.38416 -7.80789 GPRESSAVG: 1563400 27.1851 -1.33523 -30.3323 -1.69915 20.1153 6.18106 -32.3915 9.64745 -7.67841 TIMING: 1563400 CPU: 4666.68, 0.00299642/step Wall: 4666.68, 0.00299642/step, 2.86042 hours remaining, 206.714844 MB of memory in use. ENERGY: 1563400 755.2398 2128.9604 1943.3053 116.5384 -205967.4694 17592.0341 0.0000 0.0000 34271.3952 -149159.9963 299.3006 -183431.3915 -149059.7288 299.6228 -104.4900 -71.2672 558028.3174 13.3193 13.2073 PRESSURE: 1563600 -3.8678 -119.466 -53.1369 -119.467 98.5666 -12.8494 -53.1366 -12.8489 -264.786 GPRESSURE: 1563600 15.8351 -108.607 -14.4396 -118.117 137.99 -15.3623 -72.6335 -33.2774 -212.296 PRESSAVG: 1563600 26.1784 41.8136 51.1889 41.8138 -20.4276 -5.8239 51.1889 -5.82386 5.85177 GPRESSAVG: 1563600 26.783 42.5871 51.0361 42.3073 -21.2674 -3.31182 54.0673 -7.19743 5.87644 TIMING: 1563600 CPU: 4667.28, 0.00300667/step Wall: 4667.28, 0.00300667/step, 2.87003 hours remaining, 206.914062 MB of memory in use. ENERGY: 1563600 745.4400 2115.3962 1957.8267 125.5052 -206143.0968 17799.3395 0.0000 0.0000 34360.0582 -149039.5310 300.0749 -183399.5892 -148945.6889 299.6231 -56.6958 -19.4902 558506.9110 3.8675 3.7973 PRESSURE: 1563800 -34.0871 104.974 -43.1283 104.973 -308.409 -101.658 -43.1287 -101.657 102.965 GPRESSURE: 1563800 15.3447 59.177 -155.812 165.621 -276.325 -54.3133 -43.3878 -97.8748 107.508 PRESSAVG: 1563800 -11.4392 4.53231 51.1194 4.53234 21.6501 35.6475 51.1193 35.6475 -29.6887 GPRESSAVG: 1563800 -11.2128 4.54436 50.0003 2.76882 21.4563 34.7888 49.2996 35.299 -29.7891 TIMING: 1563800 CPU: 4667.88, 0.00300372/step Wall: 4667.88, 0.00300372/step, 2.86705 hours remaining, 206.914062 MB of memory in use. ENERGY: 1563800 779.5468 2118.1852 1930.1455 113.8709 -205959.4002 17773.0739 0.0000 0.0000 34088.2740 -149156.3039 297.7014 -183244.5779 -149062.7517 299.3738 -79.8437 -51.1574 559271.3574 -6.4926 -6.5152 PRESSURE: 1564000 -159.71 185.062 63.6935 185.062 -90.8779 -11.1297 63.6927 -11.129 -335.915 GPRESSURE: 1564000 -147.017 155.56 96.2934 225.308 -36.5915 -2.93294 33.0167 -43.8185 -291.027 PRESSAVG: 1564000 30.328 53.1369 36.319 53.1369 38.1477 -16.0583 36.319 -16.0584 -38.4628 GPRESSAVG: 1564000 31.0019 52.0263 38.6939 53.1971 38.1241 -15.4736 36.1978 -14.7694 -38.9319 TIMING: 1564000 CPU: 4668.48, 0.00299855/step Wall: 4668.48, 0.00299855/step, 2.86195 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1564000 749.3488 2129.5047 1929.6121 115.4476 -206134.4691 17629.9008 0.0000 0.0000 34413.5661 -149167.0889 300.5422 -183580.6550 -149074.0753 300.1012 -195.5012 -158.2118 557802.6078 10.0043 10.0647 PRESSURE: 1564200 104.194 -181.99 116.613 -181.991 0.355033 -35.4388 116.614 -35.4388 74.9587 GPRESSURE: 1564200 117.053 -109.371 99.1798 -169.388 -1.96567 -57.4591 111.044 -16.0024 167.802 PRESSAVG: 1564200 70.0275 -43.3813 17.9203 -43.3813 -0.603202 -28.7684 17.9203 -28.7685 -25.7832 GPRESSAVG: 1564200 69.1836 -41.5688 15.4246 -40.7699 0.147015 -28.5639 20.6596 -29.6909 -25.6763 TIMING: 1564200 CPU: 4669.08, 0.0030043/step Wall: 4669.08, 0.0030043/step, 2.86727 hours remaining, 206.914062 MB of memory in use. ENERGY: 1564200 762.6859 2143.8882 1905.0794 113.8308 -206635.3750 18071.6070 0.0000 0.0000 34325.5798 -149312.7040 299.7738 -183638.2838 -149223.5197 299.6095 59.8360 94.2965 556771.4561 14.5470 14.5514 LDB: ============= START OF LOAD BALANCING ============== 4672.63 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4672.63 LDB: =============== DONE WITH MIGRATION ================ 4672.63 LDB: ============= START OF LOAD BALANCING ============== 4672.94 LDB: Largest compute 4772 load 0.026615 is 22.5% of average load 0.118125 LDB: Average compute 0.001739 is 1.5% of average load 0.118125 LDB: TIME 4672.94 LOAD: AVG 0.118125 MAX 0.210274 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 4672.94 LOAD: AVG 0.118125 MAX 0.210274 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 4672.94 LOAD: AVG 0.118125 MAX 0.210274 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4672.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4672.94 PRESSURE: 1564400 74.538 -50.9968 -111.959 -50.997 162.577 131.551 -111.959 131.55 -110.536 GPRESSURE: 1564400 92.7391 -8.92701 -135.383 -66.4942 153.707 102.077 -75.4142 133.956 -25.4688 PRESSAVG: 1564400 12.5784 -3.479 61.0613 -3.4791 -4.01925 12.4245 61.0612 12.4246 -49.6741 GPRESSAVG: 1564400 13.5389 -4.3782 61.4898 -4.81126 -4.22465 12.3515 61.005 13.3787 -50.3509 TIMING: 1564400 CPU: 4669.69, 0.00306964/step Wall: 4669.69, 0.00306964/step, 2.92946 hours remaining, 208.769531 MB of memory in use. ENERGY: 1564400 748.1018 2138.3667 1925.7894 127.1380 -206218.2232 17821.8539 0.0000 0.0000 34176.1408 -149280.8325 298.4687 -183456.9733 -149182.2036 299.3220 42.1932 73.6590 556347.3535 -13.7050 -13.6789 PRESSURE: 1564600 -93.9784 20.5113 1.00536 20.5116 -202.26 73.8796 1.00548 73.8792 272.099 GPRESSURE: 1564600 -79.9224 71.6306 24.2208 -54.6308 -112.685 58.1712 -71.4918 90.7521 265.881 PRESSAVG: 1564600 -57.2226 -2.10574 -33.5021 -2.10575 49.6534 26.8496 -33.5021 26.8495 36.017 GPRESSAVG: 1564600 -57.7909 -2.08885 -33.6052 -2.66478 49.1462 26.939 -33.0871 25.9012 36.8605 TIMING: 1564600 CPU: 4670.3, 0.00302099/step Wall: 4670.3, 0.00302099/step, 2.88286 hours remaining, 208.769531 MB of memory in use. ENERGY: 1564600 784.4805 2205.1031 1907.5558 113.6790 -206193.6941 17682.1678 0.0000 0.0000 34369.0600 -149131.6479 300.1535 -183500.7079 -149039.6330 299.9836 -8.0462 24.4245 557561.8300 9.4826 9.4053 PRESSURE: 1564800 -126.574 60.9855 -75.3143 60.9857 -309.728 -3.83359 -75.3152 -3.83232 -86.486 GPRESSURE: 1564800 -50.5657 59.625 -8.02234 -44.7008 -309.065 -17.082 -63.0161 47.8263 -62.6528 PRESSAVG: 1564800 -2.23982 8.25071 5.77049 8.25069 -35.0857 -7.53557 5.77043 -7.53543 29.0843 GPRESSAVG: 1564800 -2.20019 7.65036 8.89999 8.83729 -33.98 -9.28314 1.95633 -9.4201 28.625 TIMING: 1564800 CPU: 4670.9, 0.0030037/step Wall: 4670.9, 0.0030037/step, 2.8662 hours remaining, 208.769531 MB of memory in use. ENERGY: 1564800 724.7848 2106.3328 1929.3735 102.3594 -205863.5680 17676.2829 0.0000 0.0000 34270.6820 -149053.7528 299.2944 -183324.4348 -148947.9880 299.9463 -174.2626 -140.7611 559658.0962 -2.7471 -2.5184 PRESSURE: 1565000 198.841 -121.177 20.7167 -121.177 164.566 58.7301 20.7168 58.7294 133.965 GPRESSURE: 1565000 220.117 -111.174 55.7064 -134.75 162.029 79.557 -12.2562 4.03467 214.6 PRESSAVG: 1565000 19.3425 9.26537 -61.6052 9.26532 12.7679 -21.3833 -61.6053 -21.3832 -96.8768 GPRESSAVG: 1565000 17.9923 9.40068 -63.5441 10.778 12.4734 -20.9732 -58.5218 -19.6391 -95.2011 TIMING: 1565000 CPU: 4671.5, 0.00299212/step Wall: 4671.5, 0.00299212/step, 2.85498 hours remaining, 208.769531 MB of memory in use. ENERGY: 1565000 734.8871 2081.0077 1937.7242 130.1343 -206557.5475 18273.2919 0.0000 0.0000 34228.0955 -149172.4069 298.9225 -183400.5024 -149071.4374 299.9230 165.7908 198.9153 558532.5095 -21.5888 -21.5785 PRESSURE: 1565200 224.356 170.51 -93.5548 170.51 107.239 44.3559 -93.5551 44.3561 273.82 GPRESSURE: 1565200 206.786 158.496 -50.3481 189.55 81.8307 -8.72715 -48.0743 136.193 415.686 PRESSAVG: 1565200 -29.598 72.4861 -54.0024 72.486 44.9252 55.0475 -54.0025 55.0475 -38.736 GPRESSAVG: 1565200 -28.7876 72.9416 -52.6329 71.6715 45.0736 54.2792 -55.4276 55.2182 -39.3838 TIMING: 1565200 CPU: 4672.1, 0.00300359/step Wall: 4672.1, 0.00300359/step, 2.86575 hours remaining, 208.769531 MB of memory in use. ENERGY: 1565200 704.7945 2153.5404 1902.1923 117.3246 -206697.2472 18161.3621 0.0000 0.0000 34572.2839 -149085.7494 301.9284 -183658.0333 -148989.8175 300.5158 201.8048 234.7676 556693.1574 -7.8029 -7.6992 PRESSURE: 1565400 41.1232 23.3066 -43.6678 23.3069 128.478 150.27 -43.6698 150.272 -20.7331 GPRESSURE: 1565400 50.4 -23.8256 -102.097 157.305 190.004 208.195 -11.605 180.758 4.59122 PRESSAVG: 1565400 -15.7185 10.0851 -43.0328 10.0851 49.1638 -11.6476 -43.0328 -11.6476 -29.6519 GPRESSAVG: 1565400 -16.2747 13.3986 -43.5397 9.74501 49.1355 -11.5124 -42.7622 -9.97834 -28.9487 TIMING: 1565400 CPU: 4672.7, 0.00298763/step Wall: 4672.7, 0.00298763/step, 2.85037 hours remaining, 208.769531 MB of memory in use. ENERGY: 1565400 754.9304 2100.1353 1902.6611 102.9848 -206122.9574 17761.5588 0.0000 0.0000 34450.8746 -149049.8125 300.8681 -183500.6870 -148952.5528 300.0706 49.6229 81.6651 556219.4659 1.2645 1.3040 PRESSURE: 1565600 -226.955 -44.2048 -34.7052 -44.2056 -46.0834 7.3757 -34.7042 7.37645 -225.176 GPRESSURE: 1565600 -233.977 47.9315 -18.0118 -37.0022 -31.1208 -9.58066 -40.1242 -69.5378 -132.321 PRESSAVG: 1565600 -20.9175 42.5615 -16.8501 42.5615 15.2847 51.9847 -16.8501 51.9846 -7.87527 GPRESSAVG: 1565600 -21.1488 40.5046 -16.2983 44.6138 15.8652 52.3578 -16.7669 51.506 -8.7019 TIMING: 1565600 CPU: 4673.3, 0.00301666/step Wall: 4673.3, 0.00301666/step, 2.87789 hours remaining, 208.769531 MB of memory in use. ENERGY: 1565600 755.3429 2067.4550 1907.1136 121.1017 -205776.0341 17527.7121 0.0000 0.0000 34380.9574 -149016.3514 300.2575 -183397.3088 -148912.8417 300.0162 -166.0714 -132.4728 558381.1472 -4.5027 -4.6618 PRESSURE: 1565800 -454.148 176.909 -98.974 176.909 -200.263 -11.8482 -98.9732 -11.8474 -44.0925 GPRESSURE: 1565800 -375.601 141.685 -130.151 129.272 -239.43 -14.0641 9.57777 -27.0273 3.98244 PRESSAVG: 1565800 31.4577 -1.61987 -28.5779 -1.61981 19.6698 -62.7658 -28.5778 -62.7657 12.6098 GPRESSAVG: 1565800 32.671 -2.72665 -30.3774 -2.03617 19.036 -62.3789 -28.1856 -62.0796 12.0562 TIMING: 1565800 CPU: 4673.9, 0.00299694/step Wall: 4673.9, 0.00299694/step, 2.85891 hours remaining, 208.968750 MB of memory in use. ENERGY: 1565800 743.3794 2171.9947 1921.9247 112.5482 -205484.0746 17361.9851 0.0000 0.0000 34107.2715 -149064.9710 297.8673 -183172.2424 -148965.8524 299.9062 -232.8347 -203.6829 558690.6967 21.2458 21.2544 PRESSURE: 1566000 112.024 163.259 -130.702 163.259 -3.85012 16.1767 -130.702 16.177 85.3011 GPRESSURE: 1566000 93.0659 94.0616 -136.327 212.874 62.4313 -54.6025 -144.468 31.6338 133.395 PRESSAVG: 1566000 -29.3456 45.6055 11.3207 45.6055 23.3597 17.4619 11.3206 17.4619 13.078 GPRESSAVG: 1566000 -30.7424 45.1091 9.90308 46.548 25.1698 19.5178 12.0513 14.694 13.1791 TIMING: 1566000 CPU: 4674.5, 0.00301302/step Wall: 4674.5, 0.00301302/step, 2.87408 hours remaining, 208.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1566000 724.9515 2130.7716 1920.3757 116.3023 -205978.2938 17771.5843 0.0000 0.0000 34311.0959 -149003.2127 299.6473 -183314.3085 -148905.7901 299.4132 64.4918 96.2973 557547.1209 2.3641 2.5355 PRESSURE: 1566200 -216.997 -19.3544 -27.991 -19.354 -198.015 110.183 -27.9914 110.184 -6.20084 GPRESSURE: 1566200 -159.543 51.334 -131.811 -84.3479 -164.368 71.5522 -36.7099 144.112 17.8083 PRESSAVG: 1566200 9.23161 77.2007 19.3526 77.2007 -56.3148 58.2462 19.3526 58.2462 73.2862 GPRESSAVG: 1566200 10.1799 77.3564 20.7247 75.6983 -57.6023 56.9083 18.1217 60.1235 73.5781 TIMING: 1566200 CPU: 4675.1, 0.0030053/step Wall: 4675.1, 0.0030053/step, 2.86656 hours remaining, 208.968750 MB of memory in use. ENERGY: 1566200 776.6192 2135.9245 1939.8984 107.6932 -205795.4144 17515.3959 0.0000 0.0000 34377.7638 -148942.1193 300.2296 -183319.8831 -148842.5462 300.0338 -140.4043 -102.0345 556048.3956 8.7344 8.7186 PRESSURE: 1566400 -68.4006 -8.47873 48.5393 -8.47928 -41.5402 128.954 48.5399 128.954 267.186 GPRESSURE: 1566400 -55.0107 13.0776 51.5962 -19.3883 50.6267 -6.99989 66.2821 133.41 258.02 PRESSAVG: 1566400 13.3429 17.1964 7.89368 17.1963 -33.5728 -2.54403 7.89372 -2.54408 18.4256 GPRESSAVG: 1566400 13.1984 16.5196 6.15676 15.601 -32.9334 -2.53592 8.52573 -2.59716 17.889 TIMING: 1566400 CPU: 4675.7, 0.00299926/step Wall: 4675.7, 0.00299926/step, 2.86063 hours remaining, 208.968750 MB of memory in use. ENERGY: 1566400 760.6375 2112.3041 1930.1038 102.3479 -206267.9457 17739.7493 0.0000 0.0000 34506.8971 -149115.9061 301.3573 -183622.8031 -149010.3316 299.4619 52.4149 84.5455 557136.5236 -0.6014 -0.6153 PRESSURE: 1566600 -278.429 41.2962 136.316 41.2975 -7.22547 22.7132 136.316 22.713 -199.235 GPRESSURE: 1566600 -241.357 86.3561 55.9182 10.1411 50.0888 36.1131 250.784 49.1064 -182.589 PRESSAVG: 1566600 -42.7999 -3.19219 -5.6066 -3.19222 23.4715 73.4175 -5.60664 73.4176 -24.2259 GPRESSAVG: 1566600 -42.3652 -1.38313 -2.69232 -2.66378 22.9441 72.9556 -6.96199 73.8448 -23.4411 TIMING: 1566600 CPU: 4676.3, 0.00300052/step Wall: 4676.3, 0.00300052/step, 2.86167 hours remaining, 208.968750 MB of memory in use. ENERGY: 1566600 758.2802 2104.5249 1898.3010 112.3441 -205483.2658 17287.5538 0.0000 0.0000 34481.9655 -148840.2962 301.1396 -183322.2618 -148744.8277 300.2393 -161.6297 -124.6190 557216.9161 -14.5181 -14.2874 PRESSURE: 1566800 -362.332 -3.84018 42.1067 -3.8403 -76.4325 -75.92 42.1068 -75.92 27.0658 GPRESSURE: 1566800 -316.471 82.2962 107.079 -71.394 -76.6796 -89.4725 20.7242 -122.69 82.8672 PRESSAVG: 1566800 -11.0979 -12.0447 78.4851 -12.0448 1.47314 -25.566 78.485 -25.5661 56.9706 GPRESSAVG: 1566800 -10.0094 -13.0577 77.5361 -13.1214 1.9468 -27.5324 79.6294 -25.6263 55.5289 TIMING: 1566800 CPU: 4676.9, 0.00299495/step Wall: 4676.9, 0.00299495/step, 2.85618 hours remaining, 208.968750 MB of memory in use. ENERGY: 1566800 735.2372 2119.5186 1922.9190 101.8826 -205686.6000 17666.3203 0.0000 0.0000 34416.3337 -148724.3887 300.5664 -183140.7224 -148620.8439 300.9677 -137.2330 -103.4279 558562.8495 15.7819 15.8221 PRESSURE: 1567000 -148.633 -4.60793 -100.034 -4.60744 -84.6826 -109.727 -100.033 -109.729 -35.3517 GPRESSURE: 1567000 -95.7121 -39.215 -106.738 -37.9267 -54.935 -142.406 -110.751 -122.284 -21.6897 PRESSAVG: 1567000 35.5375 5.09754 49.1903 5.09763 -25.9623 -2.25487 49.1902 -2.25495 15.5448 GPRESSAVG: 1567000 35.3486 6.00992 50.2554 5.26527 -26.0236 -1.52641 47.7803 -4.08899 15.8082 TIMING: 1567000 CPU: 4677.5, 0.0029912/step Wall: 4677.5, 0.0029912/step, 2.85244 hours remaining, 208.968750 MB of memory in use. ENERGY: 1567000 744.2777 2084.4294 1929.5843 110.8855 -205770.0724 17591.3871 0.0000 0.0000 34573.4639 -148736.0444 301.9387 -183309.5083 -148638.0867 300.7968 -89.5556 -57.4456 558438.0882 8.3733 8.3777 PRESSURE: 1567200 -117.845 -0.218501 12.7561 -0.219995 -167.58 -404.179 12.7552 -404.179 -181.174 GPRESSURE: 1567200 -96.2105 4.06996 70.8664 -97.4054 -145.951 -404.759 70.2339 -417.394 -123.936 PRESSAVG: 1567200 12.3185 -3.68262 4.18361 -3.68253 -61.8286 -52.0118 4.18364 -52.0119 30.706 GPRESSAVG: 1567200 11.1096 -6.27365 2.70238 -3.46855 -61.3326 -50.7009 4.97353 -53.1568 31.0515 TIMING: 1567200 CPU: 4678.1, 0.00301911/step Wall: 4678.1, 0.00301911/step, 2.87889 hours remaining, 208.968750 MB of memory in use. ENERGY: 1567200 743.3823 2139.4404 1947.8140 112.7539 -205374.4104 17491.5516 0.0000 0.0000 34158.9609 -148780.5073 298.3187 -182939.4682 -148680.6609 300.4822 -155.5332 -122.0325 559999.5464 -6.2680 -6.3905 PRESSURE: 1567400 61.1309 -74.3464 38.3825 -74.3477 139.211 -33.896 38.3827 -33.8961 -392.056 GPRESSURE: 1567400 67.1689 5.36514 -10.5329 -34.5522 157.512 -17.8028 71.9992 28.6957 -308.091 PRESSAVG: 1567400 20.0267 -39.8838 41.8396 -39.8838 -7.57062 -53.8793 41.8398 -53.8792 -18.0304 GPRESSAVG: 1567400 20.0413 -39.0956 42.8676 -39.4259 -7.73247 -52.5766 38.8841 -51.8699 -17.8862 TIMING: 1567400 CPU: 4678.7, 0.0030057/step Wall: 4678.7, 0.0030057/step, 2.86593 hours remaining, 208.968750 MB of memory in use. ENERGY: 1567400 783.4719 2084.9728 1911.4770 117.7907 -205779.6209 17748.0670 0.0000 0.0000 34200.5640 -148933.2773 298.6820 -183133.8414 -148839.8179 300.5820 -63.9046 -27.8032 557818.4649 -1.8581 -1.8591 PRESSURE: 1567600 -95.0487 -230.274 -173.36 -230.275 167.308 -148.583 -173.359 -148.582 -127.8 GPRESSURE: 1567600 -28.207 -262.333 -229.432 -253.364 155.977 -99.8169 -121.807 -189.022 -85.6301 PRESSAVG: 1567600 71.3481 10.0049 -16.4579 10.0049 -43.8228 -30.9754 -16.4578 -30.9752 -0.658415 GPRESSAVG: 1567600 70.9342 10.0085 -16.584 8.90569 -43.6338 -33.5889 -14.1201 -30.0834 -0.337605 TIMING: 1567600 CPU: 4679.31, 0.00301696/step Wall: 4679.31, 0.00301696/step, 2.87651 hours remaining, 208.968750 MB of memory in use. ENERGY: 1567600 740.3304 2134.7508 1942.0458 121.1864 -205541.3100 17537.9675 0.0000 0.0000 34153.5262 -148911.5029 298.2712 -183065.0291 -148811.2781 300.2134 -18.5134 14.0467 556793.2937 8.9556 8.9876 PRESSURE: 1567800 -210.892 -57.2288 -47.3057 -57.2294 -129.903 266.324 -47.3052 266.323 105.811 GPRESSURE: 1567800 -189.608 -49.985 -46.2636 13.1143 -136.59 236.246 28.9894 193.789 178.791 PRESSAVG: 1567800 -22.1957 -32.3531 4.06314 -32.353 -76.6422 -18.4242 4.06315 -18.4243 50.3869 GPRESSAVG: 1567800 -20.1474 -31.4994 3.91695 -30.2034 -77.9942 -19.146 3.99493 -15.694 49.2964 TIMING: 1567800 CPU: 4679.92, 0.00303705/step Wall: 4679.92, 0.00303705/step, 2.89549 hours remaining, 208.968750 MB of memory in use. ENERGY: 1567800 743.6437 2057.3854 1930.8979 116.0963 -206118.2243 17694.6436 0.0000 0.0000 34486.6615 -149088.8958 301.1806 -183575.5573 -148990.4602 300.3396 -78.3282 -49.1354 558966.2986 -16.1503 -16.2817 PRESSURE: 1568000 -136.798 5.54965 -36.814 5.54895 -185.502 131.149 -36.8148 131.15 40.57 GPRESSURE: 1568000 -91.5191 55.1005 -63.2701 44.4842 -116.491 103.665 -34.5521 98.1556 31.4013 PRESSAVG: 1568000 -37.2274 14.0208 22.5451 14.0208 14.5855 85.9993 22.545 85.9993 10.1081 GPRESSAVG: 1568000 -38.8719 12.0001 22.2695 14.2423 15.9318 87.0128 22.0561 82.3692 9.84921 TIMING: 1568000 CPU: 4680.53, 0.003066/step Wall: 4680.53, 0.003066/step, 2.92292 hours remaining, 208.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1568000 762.2133 2079.1741 1945.3734 110.4228 -205904.3148 17604.6796 0.0000 0.0000 34349.7682 -149052.6834 299.9851 -183402.4516 -148958.5047 299.9893 -93.9100 -58.8696 558087.7377 -4.1780 -4.3636 PRESSURE: 1568200 286.841 189.393 139.37 189.393 231.859 199.4 139.371 199.4 262.569 GPRESSURE: 1568200 306.439 173.803 122.219 188.96 230.022 167.096 133.697 206.09 342.149 PRESSAVG: 1568200 39.8838 -2.74295 23.6821 -2.74291 -50.948 113.566 23.6822 113.566 15.9543 GPRESSAVG: 1568200 40.9574 -0.750331 23.5456 -2.78854 -50.8124 112.039 24.0855 114.435 15.2391 TIMING: 1568200 CPU: 4681.13, 0.00301468/step Wall: 4681.13, 0.00301468/step, 2.87383 hours remaining, 208.968750 MB of memory in use. ENERGY: 1568200 736.4351 2145.0574 1938.6922 128.8627 -206463.9774 18206.1532 0.0000 0.0000 34441.0182 -148867.7586 300.7820 -183308.7768 -148775.9955 300.4818 260.4227 292.8700 557289.9457 1.6300 1.7947 LDB: ============= START OF LOAD BALANCING ============== 4684.68 LDB: ============== END OF LOAD BALANCING =============== 4684.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4684.68 LDB: ============= START OF LOAD BALANCING ============== 4684.99 LDB: Largest compute 4772 load 0.028025 is 23.7% of average load 0.118164 LDB: Average compute 0.001731 is 1.5% of average load 0.118164 LDB: TIME 4684.99 LOAD: AVG 0.118164 MAX 0.211353 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.996 MB LDB: TIME 4684.99 LOAD: AVG 0.118164 MAX 0.211353 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: TIME 4684.99 LOAD: AVG 0.118164 MAX 0.211353 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: ============== END OF LOAD BALANCING =============== 4684.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4684.99 PRESSURE: 1568400 59.2216 104.356 63.2317 104.357 45.1994 246.532 63.2317 246.532 165.598 GPRESSURE: 1568400 136.26 141.712 118.488 45.2118 110.827 203.846 19.4576 267.653 130.229 PRESSAVG: 1568400 6.73583 64.4419 17.3019 64.4419 -69.0855 3.33416 17.3018 3.33428 26.8237 GPRESSAVG: 1568400 6.48338 63.8302 16.5238 64.4159 -69.1742 4.21338 19.5655 3.45415 27.0426 TIMING: 1568400 CPU: 4681.74, 0.00306552/step Wall: 4681.74, 0.00306552/step, 2.92212 hours remaining, 208.507812 MB of memory in use. ENERGY: 1568400 741.2792 2116.1133 1907.7886 112.0836 -206415.2921 18047.9829 0.0000 0.0000 34437.7123 -149052.3321 300.7531 -183490.0444 -148957.9505 300.0671 90.0065 125.7719 556014.7531 -11.8420 -11.8828 PRESSURE: 1568600 -153.431 63.8833 -50.0314 63.882 -90.4975 114.92 -50.0318 114.92 -126.982 GPRESSURE: 1568600 -156.064 81.8621 -63.3383 61.4426 -50.5084 89.3785 -8.02348 61.3355 -72.0149 PRESSAVG: 1568600 -10.3096 53.6699 30.5969 53.6699 -11.2331 -1.30734 30.5969 -1.30738 16.9283 GPRESSAVG: 1568600 -9.99866 53.4396 30.0864 55.1863 -11.3348 0.793884 28.5029 -1.92539 16.7494 TIMING: 1568600 CPU: 4682.35, 0.00300246/step Wall: 4682.35, 0.00300245/step, 2.86184 hours remaining, 208.707031 MB of memory in use. ENERGY: 1568600 720.4299 2141.9571 1941.4208 110.3312 -205778.5596 17537.7445 0.0000 0.0000 34280.7978 -149045.8784 299.3827 -183326.6762 -148947.9086 300.2723 -123.6370 -92.8624 557444.5986 -1.5381 -1.5280 PRESSURE: 1568800 177.697 15.1421 -139.449 15.1422 305.044 169.477 -139.451 169.479 -193.142 GPRESSURE: 1568800 204.947 8.20316 -105.385 -5.42589 308.504 129.599 -139.439 111.269 -130.205 PRESSAVG: 1568800 14.7171 45.8263 -63.367 45.8263 -64.8509 11.8209 -63.3669 11.8209 -24.5896 GPRESSAVG: 1568800 14.7174 43.2989 -61.5448 43.6243 -64.6512 9.52254 -62.1356 11.5551 -24.5916 TIMING: 1568800 CPU: 4682.95, 0.00300697/step Wall: 4682.95, 0.00300697/step, 2.86598 hours remaining, 208.707031 MB of memory in use. ENERGY: 1568800 726.0785 2172.9490 1922.4609 105.8171 -206310.3868 17991.9035 0.0000 0.0000 34279.4638 -149111.7140 299.3711 -183391.1778 -149016.1281 299.5567 96.5333 127.7490 556525.6604 -24.9078 -24.8418 PRESSURE: 1569000 33.0741 58.2015 107.282 58.2008 -217.591 -43.0437 107.282 -43.0434 -241.048 GPRESSURE: 1569000 29.1603 107.068 68.1523 -41.9006 -239.106 -114.104 83.9236 -55.2122 -123.103 PRESSAVG: 1569000 -4.9139 27.9512 40.0725 27.9512 7.49553 50.4726 40.0725 50.4724 -0.0719287 GPRESSAVG: 1569000 -5.62181 30.3487 39.9291 29.9651 8.17905 51.9951 39.6975 51.4381 -0.351001 TIMING: 1569000 CPU: 4683.55, 0.00300749/step Wall: 4683.55, 0.00300749/step, 2.86631 hours remaining, 208.707031 MB of memory in use. ENERGY: 1569000 754.9207 2088.9884 1932.3727 111.2746 -205704.0766 17445.6016 0.0000 0.0000 34300.5113 -149070.4074 299.5549 -183370.9187 -148976.5942 299.4253 -141.8547 -111.0162 557324.7655 0.8366 0.7354 PRESSURE: 1569200 160.743 62.3728 -37.6439 62.3729 -87.602 -124.365 -37.6428 -124.363 -108.724 GPRESSURE: 1569200 250.611 106.8 11.9801 12.6609 -56.4278 -129.188 -165.015 -91.3545 -130.965 PRESSAVG: 1569200 28.3364 7.83476 -12.4681 7.83468 -20.6123 30.8601 -12.4682 30.8601 9.87254 GPRESSAVG: 1569200 29.6542 9.04493 -11.7143 6.92167 -21.9722 30.8651 -12.0835 29.9042 9.86426 TIMING: 1569200 CPU: 4684.15, 0.0030271/step Wall: 4684.15, 0.0030271/step, 2.88482 hours remaining, 208.707031 MB of memory in use. ENERGY: 1569200 733.7222 2093.4043 1917.0809 112.6009 -206045.4350 17711.8763 0.0000 0.0000 34308.3991 -149168.3514 299.6238 -183476.7505 -149068.7736 299.2221 -11.8609 21.0727 558217.5104 5.8656 5.8488 PRESSURE: 1569400 -31.7549 291.128 -75.8356 291.127 -143.121 41.4244 -75.8348 41.4242 70.171 GPRESSURE: 1569400 13.0046 236.376 -20.8703 269.757 -88.4859 -9.29041 22.356 72.42 85.6542 PRESSAVG: 1569400 45.454 16.7709 5.58566 16.7709 -42.0818 19.1001 5.58568 19.1001 24.8314 GPRESSAVG: 1569400 44.7823 17.6285 6.20846 15.6376 -40.9653 17.7198 4.68079 20.6718 24.6471 TIMING: 1569400 CPU: 4684.76, 0.00301321/step Wall: 4684.76, 0.00301321/step, 2.87142 hours remaining, 208.707031 MB of memory in use. ENERGY: 1569400 734.9488 2053.7547 1938.4527 100.7073 -206107.7277 17744.8408 0.0000 0.0000 34388.9121 -149146.1114 300.3269 -183535.0234 -149045.1899 299.5535 -34.9015 3.3910 557383.6874 9.4012 9.4880 PRESSURE: 1569600 133.926 -90.2322 73.9119 -90.2325 42.1782 -80.2978 73.9116 -80.2976 -104.725 GPRESSURE: 1569600 143.623 -94.1462 121.113 -32.1436 135.117 -98.9103 -0.268279 -19.8071 -113.609 PRESSAVG: 1569600 -5.66755 8.06747 34.689 8.06749 -5.435 -0.31721 34.689 -0.31726 54.3997 GPRESSAVG: 1569600 -6.90063 8.03948 30.4831 8.54117 -5.55995 1.38399 36.5191 -2.62263 55.5389 TIMING: 1569600 CPU: 4685.36, 0.00301109/step Wall: 4685.36, 0.00301109/step, 2.86924 hours remaining, 208.707031 MB of memory in use. ENERGY: 1569600 770.2113 2047.1860 1928.3711 109.1327 -206029.6864 17847.8880 0.0000 0.0000 34277.1531 -149049.7442 299.3509 -183326.8973 -148952.5021 299.3123 23.7928 55.0438 557604.3562 14.4324 14.3594 PRESSURE: 1569800 5.75232 113.276 12.9377 113.276 46.6704 -184.124 12.9373 -184.123 -79.7967 GPRESSURE: 1569800 -25.0477 74.1936 -3.12524 173.959 87.1582 -87.1813 -76.1114 -224.778 -6.96456 PRESSAVG: 1569800 -16.616 -4.24766 -2.86667 -4.24764 -43.2027 20.2051 -2.86652 20.2052 78.2234 GPRESSAVG: 1569800 -16.826 -6.62842 -0.0703781 -2.99936 -42.7636 19.8204 -3.75853 21.7205 77.8656 TIMING: 1569800 CPU: 4685.96, 0.00303067/step Wall: 4685.96, 0.00303067/step, 2.88772 hours remaining, 208.707031 MB of memory in use. ENERGY: 1569800 740.5099 2110.1598 1938.5278 121.2557 -205772.7984 17647.0107 0.0000 0.0000 34225.7584 -148989.5761 298.9021 -183215.3345 -148896.5936 299.3615 -9.1247 18.3820 558014.9331 6.1349 6.0920 PRESSURE: 1570000 196.292 22.0757 0.333475 22.0779 -144.597 -137.589 0.331991 -137.589 41.4461 GPRESSURE: 1570000 175.576 34.5616 -29.7269 -11.9674 -72.1904 -31.0822 -56.0627 -144.24 96.7053 PRESSAVG: 1570000 -30.7721 2.87656 -23.9438 2.87652 34.1129 -38.222 -23.9439 -38.222 -15.3658 GPRESSAVG: 1570000 -30.4307 5.17449 -23.3896 1.52041 33.185 -37.5178 -25.547 -39.5408 -14.4552 TIMING: 1570000 CPU: 4686.57, 0.00301879/step Wall: 4686.57, 0.00301879/step, 2.87624 hours remaining, 208.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1570000 720.2021 2077.8228 1961.3614 118.1735 -206102.4578 17743.9325 0.0000 0.0000 34415.6144 -149065.3510 300.5601 -183480.9654 -148964.4065 300.5424 31.0468 66.6971 556981.5696 -4.0084 -3.9003 PRESSURE: 1570200 3.62709 -112.725 -145.039 -112.725 41.8538 60.3517 -145.039 60.352 -21.5551 GPRESSURE: 1570200 83.2168 -72.7522 -193.677 -37.5155 7.71664 84.5557 -61.6381 20.8347 24.9712 PRESSAVG: 1570200 1.93487 -6.53409 -21.7625 -6.53406 31.8553 -11.2656 -21.7624 -11.2655 -25.5103 GPRESSAVG: 1570200 1.36276 -7.46157 -22.0725 -4.74813 31.969 -9.84541 -21.0601 -12.6337 -24.9764 TIMING: 1570200 CPU: 4687.18, 0.00307775/step Wall: 4687.18, 0.00307775/step, 2.93224 hours remaining, 208.707031 MB of memory in use. ENERGY: 1570200 728.3935 2109.0337 1949.8426 115.1507 -206271.9280 17988.5648 0.0000 0.0000 34323.0834 -149057.8592 299.7520 -183380.9427 -148952.9364 299.5926 7.9752 38.6349 558866.8068 2.7600 2.7851 PRESSURE: 1570400 43.2333 -94.5318 -27.8261 -94.5325 52.1357 -139.568 -27.8249 -139.569 80.5145 GPRESSURE: 1570400 127.981 -14.1354 -16.049 -92.8199 29.1855 -180.802 -56.4991 -182.177 119.736 PRESSAVG: 1570400 33.8436 -19.6452 5.00385 -19.6452 -40.1785 -12.4592 5.00391 -12.4592 28.9388 GPRESSAVG: 1570400 35.1246 -19.7065 4.92019 -19.454 -39.5286 -15.5003 5.2841 -11.3447 27.2857 TIMING: 1570400 CPU: 4687.79, 0.00301736/step Wall: 4687.79, 0.00301736/step, 2.87454 hours remaining, 208.707031 MB of memory in use. ENERGY: 1570400 715.6148 2106.0589 1935.2220 112.3729 -206111.5436 17825.0285 0.0000 0.0000 34222.6023 -149194.6443 298.8745 -183417.2466 -149093.7578 299.8711 58.6278 92.3009 557187.7534 7.5346 7.6272 PRESSURE: 1570600 159.239 166.124 -173.192 166.124 165.042 -51.5969 -173.193 -51.5954 -26.999 GPRESSURE: 1570600 175.518 212.513 -172.481 95.765 179.368 -55.2584 -163.776 -92.9469 43.7877 PRESSAVG: 1570600 9.85039 -2.92728 4.24174 -2.92736 24.2165 -55.6635 4.24181 -55.6635 -24.4809 GPRESSAVG: 1570600 10.347 -3.18677 3.15907 -3.45904 23.2066 -54.7708 4.21311 -53.7632 -24.2883 TIMING: 1570600 CPU: 4688.39, 0.00303417/step Wall: 4688.39, 0.00303417/step, 2.89038 hours remaining, 208.707031 MB of memory in use. ENERGY: 1570600 722.2246 2090.7844 1939.3222 109.8178 -205928.7318 17724.4430 0.0000 0.0000 34123.5564 -149218.5836 298.0095 -183342.1399 -149119.2640 299.4252 99.0941 132.8913 558348.2822 3.1953 3.0884 PRESSURE: 1570800 110.043 -105.133 -221.716 -105.134 203.18 -21.6443 -221.714 -21.6431 465.494 GPRESSURE: 1570800 123.633 -127.583 -302.853 -96.5702 260.097 -4.11419 -126.716 49.2371 484.648 PRESSAVG: 1570800 -23.8668 23.9806 5.8769 23.9808 63.1917 -10.1662 5.87682 -10.1661 8.71044 GPRESSAVG: 1570800 -25.5582 25.6742 6.1408 23.1633 63.625 -10.9857 5.13163 -11.1907 9.61636 TIMING: 1570800 CPU: 4688.99, 0.00298615/step Wall: 4688.99, 0.00298615/step, 2.84447 hours remaining, 208.707031 MB of memory in use. ENERGY: 1570800 705.5483 2162.8756 1940.5854 114.3886 -206279.0535 17970.7876 0.0000 0.0000 34221.9450 -149162.9231 298.8688 -183384.8681 -149070.3908 299.9102 259.5724 289.4593 555647.6409 16.0118 15.8944 PRESSURE: 1571000 173.604 -65.2141 15.146 -65.2143 -2.67424 -95.4806 15.1462 -95.4803 -106.762 GPRESSURE: 1571000 229.886 -25.7308 74.6765 -71.1106 49.2579 -82.0503 85.8546 -123.501 -99.1018 PRESSAVG: 1571000 35.7747 -4.05123 -60.278 -4.05122 -30.4055 9.68569 -60.2778 9.68572 20.959 GPRESSAVG: 1571000 36.2166 -4.9764 -60.4905 -3.09033 -30.7649 10.9746 -59.9331 9.71091 20.8453 TIMING: 1571000 CPU: 4689.59, 0.00300386/step Wall: 4689.59, 0.00300386/step, 2.86117 hours remaining, 208.832031 MB of memory in use. ENERGY: 1571000 749.1484 2029.0560 1939.8548 107.5706 -206151.4113 17645.2237 0.0000 0.0000 34533.4384 -149147.1194 301.5891 -183680.5578 -149051.0631 299.6311 21.3891 60.0142 555212.2447 8.7760 8.7656 PRESSURE: 1571200 -228.238 22.6477 22.2766 22.6474 -21.6305 124.236 22.2763 124.237 114.033 GPRESSURE: 1571200 -173.157 56.0602 -56.1721 -1.22574 29.1351 250.126 105.008 87.4703 112.361 PRESSAVG: 1571200 35.1683 -39.4694 1.09906 -39.4695 32.4424 17.6695 1.09907 17.6695 -59.4499 GPRESSAVG: 1571200 35.1172 -39.4634 2.04443 -41.7319 32.361 18.1188 0.455499 17.1151 -59.1353 TIMING: 1571200 CPU: 4690.19, 0.00299576/step Wall: 4690.19, 0.00299576/step, 2.8533 hours remaining, 208.832031 MB of memory in use. ENERGY: 1571200 733.6756 2062.2137 1930.3398 111.0711 -206019.1455 17747.9437 0.0000 0.0000 34215.3183 -149218.5834 298.8109 -183433.9016 -149124.9944 299.4289 -45.2784 -10.5535 557512.4766 2.7203 2.7810 PRESSURE: 1571400 35.7301 -121.578 48.2623 -121.577 -144.674 6.07932 48.2625 6.07811 -18.2922 GPRESSURE: 1571400 6.45427 -138.629 -25.8092 -72.9386 -42.7635 14.6639 74.0887 -99.2762 -0.772887 PRESSAVG: 1571400 12.0358 -13.3 -26.6689 -13.3 44.1014 11.2075 -26.6689 11.2075 -46.62 GPRESSAVG: 1571400 12.162 -13.1513 -26.2878 -12.6985 45.3251 11.6473 -25.7327 12.1732 -47.9651 TIMING: 1571400 CPU: 4690.79, 0.00297874/step Wall: 4690.79, 0.00297874/step, 2.83692 hours remaining, 208.832031 MB of memory in use. ENERGY: 1571400 703.3419 2085.3169 1909.6245 119.3372 -206149.1003 17814.8383 0.0000 0.0000 34301.7053 -149214.9362 299.5653 -183516.6415 -149108.2251 299.3930 -42.4122 -12.3607 558774.4730 3.1724 3.1740 PRESSURE: 1571600 207.949 -35.0651 97.8315 -35.0661 301.639 145.233 97.8309 145.233 6.59975 GPRESSURE: 1571600 285.614 59.6586 51.4292 -34.8854 311.211 7.92207 70.2712 191.475 16.0088 PRESSAVG: 1571600 -32.0304 5.44751 22.933 5.44757 56.9529 30.6632 22.9331 30.6632 -31.1262 GPRESSAVG: 1571600 -32.2574 4.16916 23.0108 7.79139 56.6783 30.2067 23.9917 30.6401 -31.0249 TIMING: 1571600 CPU: 4691.39, 0.00299817/step Wall: 4691.39, 0.00299817/step, 2.85525 hours remaining, 208.832031 MB of memory in use. ENERGY: 1571600 725.4952 2097.9271 1947.7346 119.9484 -206471.8718 17963.3516 0.0000 0.0000 34378.8667 -149238.5481 300.2392 -183617.4147 -149144.2992 299.5905 172.0626 204.2777 557094.0294 -2.0679 -2.2013 PRESSURE: 1571800 34.0163 97.766 -15.4083 97.7656 -23.6192 44.5385 -15.4075 44.5382 -170.164 GPRESSURE: 1571800 73.1449 161.567 -51.1033 121.046 -3.90152 117.106 -72.0849 35.0529 -128.018 PRESSAVG: 1571800 -25.9503 2.03411 -24.3213 2.03413 9.75933 26.4336 -24.3213 26.4335 -5.00321 GPRESSAVG: 1571800 -25.9593 1.49702 -25.463 -0.545244 8.95791 24.043 -25.3349 27.863 -4.62035 TIMING: 1571800 CPU: 4691.99, 0.00301165/step Wall: 4691.99, 0.00301165/step, 2.86793 hours remaining, 208.832031 MB of memory in use. ENERGY: 1571800 786.9600 2094.5829 1948.9203 102.5756 -206085.0267 17674.3456 0.0000 0.0000 34246.4726 -149231.1697 299.0830 -183477.6423 -149139.7830 299.8023 -53.2556 -19.5916 556790.7995 -7.0647 -7.2072 PRESSURE: 1572000 -128.43 95.3079 54.3053 95.3075 -305.812 5.23313 54.3056 5.23143 -221.522 GPRESSURE: 1572000 -63.4518 180.354 3.66233 109.733 -328.042 -66.8931 97.4289 -26.0528 -167.763 PRESSAVG: 1572000 51.4994 15.9666 20.3793 15.9666 5.52817 -34.4868 20.3793 -34.4868 -9.22169 GPRESSAVG: 1572000 50.7392 19.2981 21.0312 16.1579 5.03132 -33.3432 19.8753 -35.9696 -8.20835 TIMING: 1572000 CPU: 4692.59, 0.00302639/step Wall: 4692.59, 0.00302639/step, 2.88179 hours remaining, 208.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1572000 810.5135 2024.5746 1930.6173 111.5407 -206155.2718 17619.4865 0.0000 0.0000 34432.3864 -149226.1529 300.7066 -183658.5393 -149127.3056 299.9308 -218.5879 -186.4192 556209.5898 15.9353 15.8540 PRESSURE: 1572200 36.2215 28.3461 131.293 28.3457 90.5875 -118.029 131.293 -118.03 -116.017 GPRESSURE: 1572200 78.4976 40.6278 131.711 9.50575 144.95 -144.136 54.2558 38.1747 -99.4066 PRESSAVG: 1572200 -5.05437 6.07853 50.192 6.0786 0.107571 29.7219 50.1921 29.7219 8.01682 GPRESSAVG: 1572200 -4.84001 4.72353 50.2076 5.54164 0.6861 29.6051 50.3589 29.7433 6.41757 TIMING: 1572200 CPU: 4693.2, 0.0030324/step Wall: 4693.2, 0.0030324/step, 2.88735 hours remaining, 208.832031 MB of memory in use. ENERGY: 1572200 762.5875 2099.3043 1887.7498 100.8042 -206394.8526 17863.8335 0.0000 0.0000 34300.1252 -149380.4480 299.5515 -183680.5732 -149282.3480 299.4248 3.5973 41.3470 555971.8725 1.0233 0.7546 LDB: ============= START OF LOAD BALANCING ============== 4696.76 LDB: ============== END OF LOAD BALANCING =============== 4696.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4696.76 LDB: ============= START OF LOAD BALANCING ============== 4697.07 LDB: Largest compute 4773 load 0.028057 is 23.8% of average load 0.118128 LDB: Average compute 0.001732 is 1.5% of average load 0.118128 LDB: TIME 4697.07 LOAD: AVG 0.118128 MAX 0.21295 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 4697.07 LOAD: AVG 0.118128 MAX 0.21295 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.918 MB LDB: TIME 4697.07 LOAD: AVG 0.118128 MAX 0.21295 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.918 MB LDB: ============== END OF LOAD BALANCING =============== 4697.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4697.08 PRESSURE: 1572400 87.2579 -70.1006 -199.921 -70.101 0.886941 -172.697 -199.922 -172.698 318.019 GPRESSURE: 1572400 55.3881 -1.27923 -305.427 -149.705 54.8296 -118.029 -115.636 -92.7823 390.56 PRESSAVG: 1572400 -19.9531 -11.4304 -33.6205 -11.4305 24.337 10.4307 -33.6205 10.4307 10.1535 GPRESSAVG: 1572400 -19.9745 -12.3817 -34.0882 -10.0217 23.52 13.2703 -33.826 10.5452 10.955 TIMING: 1572400 CPU: 4693.83, 0.0031249/step Wall: 4693.83, 0.0031249/step, 2.97525 hours remaining, 207.351562 MB of memory in use. ENERGY: 1572400 757.1217 2162.6794 1916.0196 122.1682 -206805.4333 18096.4979 0.0000 0.0000 34195.0469 -149555.8995 298.6338 -183750.9465 -149463.4032 298.5571 135.3881 166.9259 556375.9713 4.8458 4.8335 PRESSURE: 1572600 -78.6973 130.846 -72.0984 130.847 111.886 5.03745 -72.0998 5.0389 289.96 GPRESSURE: 1572600 -26.1445 119.725 -97.9453 150.043 99.5102 24.7254 -75.8402 -20.9099 348.23 PRESSAVG: 1572600 -1.66479 18.3094 -50.179 18.3096 -20.0398 5.74277 -50.1791 5.74277 0.739323 GPRESSAVG: 1572600 -0.91035 18.5781 -48.3842 17.076 -20.0281 3.66378 -51.0395 6.45894 0.326781 TIMING: 1572600 CPU: 4694.43, 0.00302506/step Wall: 4694.43, 0.00302506/step, 2.88002 hours remaining, 207.554688 MB of memory in use. ENERGY: 1572600 742.2474 2078.2846 1919.3365 118.4401 -206450.8804 18129.7151 0.0000 0.0000 33998.7929 -149464.0639 296.9199 -183462.8568 -149366.3292 298.1290 107.7164 140.5318 557348.7286 -6.9884 -6.8705 PRESSURE: 1572800 61.3485 11.186 -142.892 11.186 78.2307 -4.43969 -142.893 -4.43944 114.011 GPRESSURE: 1572800 48.857 -48.9809 -184.352 123.858 146.014 -91.6281 -71.2212 13.6679 146.683 PRESSAVG: 1572800 -23.4333 -6.05727 -16.7825 -6.0573 36.8789 8.47585 -16.7825 8.47586 43.9345 GPRESSAVG: 1572800 -22.7532 -6.06307 -18.4726 -4.25111 36.6064 7.67593 -15.2348 7.20396 43.7382 TIMING: 1572800 CPU: 4695.03, 0.00301292/step Wall: 4695.03, 0.00301292/step, 2.8683 hours remaining, 207.554688 MB of memory in use. ENERGY: 1572800 792.5417 2083.2644 1929.4896 113.8979 -206556.2834 17977.8757 0.0000 0.0000 34223.3298 -149435.8843 298.8809 -183659.2141 -149347.5756 298.3419 84.5300 113.8511 555824.4923 19.1267 19.1971 PRESSURE: 1573000 45.6961 -123.659 17.6102 -123.659 -18.7915 54.6368 17.6102 54.6351 78.3643 GPRESSURE: 1573000 -1.77767 -200.366 11.2941 -57.2669 9.74074 12.3583 15.4493 41.4701 186.889 PRESSAVG: 1573000 24.517 -7.38837 49.5345 -7.38833 -9.54598 -1.06188 49.5345 -1.0618 25.6744 GPRESSAVG: 1573000 22.6402 -6.56499 48.7328 -10.5233 -8.685 -0.544511 50.7421 -0.308502 26.7013 TIMING: 1573000 CPU: 4695.63, 0.00298947/step Wall: 4695.63, 0.00298947/step, 2.84581 hours remaining, 207.554688 MB of memory in use. ENERGY: 1573000 738.5351 2088.4070 1953.2685 109.1474 -206426.2324 17732.2784 0.0000 0.0000 34408.2709 -149396.3251 300.4960 -183804.5960 -149299.1697 299.3926 35.0896 64.9507 555832.8100 13.5485 13.5522 PRESSURE: 1573200 -31.7996 -162.492 -74.6272 -162.491 152.771 -23.7889 -74.6287 -23.7882 -230.826 GPRESSURE: 1573200 -10.0327 -113.836 -21.5189 -154.669 227.091 -62.3265 -131.419 24.2774 -227.211 PRESSAVG: 1573200 -16.8957 -9.63913 50.2218 -9.63905 21.9613 29.7795 50.2217 29.7796 34.3563 GPRESSAVG: 1573200 -15.0466 -9.57666 51.8353 -8.04865 21.5384 31.344 47.5562 28.6123 33.0806 TIMING: 1573200 CPU: 4696.23, 0.00301702/step Wall: 4696.23, 0.00301702/step, 2.87187 hours remaining, 207.554688 MB of memory in use. ENERGY: 1573200 765.6777 2121.3160 1956.1377 116.3142 -206310.7285 17853.9150 0.0000 0.0000 34151.3910 -149345.9769 298.2526 -183497.3679 -149260.0122 299.0009 -36.6183 -3.3841 558139.4293 13.1406 13.1908 PRESSURE: 1573400 202.103 -47.4491 -15.9213 -47.4489 -68.1674 4.59545 -15.9207 4.59495 -111.38 GPRESSURE: 1573400 245.154 -44.3589 -35.996 -55.9087 -33.0469 -25.1032 1.2642 -17.1105 -96.8788 PRESSAVG: 1573400 -5.12726 -66.0534 25.8759 -66.0535 34.7535 11.4719 25.8758 11.4718 -66.6871 GPRESSAVG: 1573400 -4.77395 -65.4371 26.0769 -65.0788 34.655 9.26374 26.4165 12.0419 -66.8317 TIMING: 1573400 CPU: 4696.83, 0.00297537/step Wall: 4696.83, 0.00297537/step, 2.83205 hours remaining, 207.554688 MB of memory in use. ENERGY: 1573400 693.0633 2079.0356 1939.3894 112.6164 -206034.1078 17786.8994 0.0000 0.0000 34157.9530 -149265.1507 298.3099 -183423.1037 -149164.3986 299.1080 7.5183 38.4094 558707.1374 -12.3536 -12.3169 PRESSURE: 1573600 -239.568 49.2908 71.2391 49.291 -181.425 129.434 71.2389 129.435 -102.306 GPRESSURE: 1573600 -244.282 -7.29329 37.5349 146.462 -154.006 51.9781 93.5002 214.044 -21.9074 PRESSAVG: 1573600 41.0616 2.17444 6.69365 2.17443 -1.59017 -0.356417 6.69372 -0.356401 -45.6589 GPRESSAVG: 1573600 39.7811 2.21612 7.45804 -0.0794491 -0.592453 0.498597 5.10747 0.0333475 -44.8752 TIMING: 1573600 CPU: 4697.43, 0.00298781/step Wall: 4697.43, 0.00298781/step, 2.84373 hours remaining, 207.554688 MB of memory in use. ENERGY: 1573600 784.5409 2123.2319 1928.9824 103.4142 -206023.8737 17609.4812 0.0000 0.0000 34211.0722 -149263.1509 298.7738 -183474.2232 -149175.7653 298.9483 -174.4327 -140.0653 558124.4224 -2.0625 -1.8955 PRESSURE: 1573800 -11.9091 -47.6193 179.476 -47.62 -219.565 78.4978 179.477 78.4974 93.034 GPRESSURE: 1573800 19.2527 -77.165 149.573 35.9164 -147.543 42.8177 147.774 42.9517 99.2464 PRESSAVG: 1573800 -13.8655 -36.0412 7.18471 -36.0414 -24.6833 86.2747 7.18473 86.2748 46.7164 GPRESSAVG: 1573800 -13.1733 -36.2893 6.5805 -35.5763 -24.7641 86.444 8.37082 86.438 46.0351 TIMING: 1573800 CPU: 4698.03, 0.00300862/step Wall: 4698.03, 0.00300862/step, 2.86337 hours remaining, 207.554688 MB of memory in use. ENERGY: 1573800 756.0360 2092.5163 1920.4578 116.6901 -206216.9461 17761.6635 0.0000 0.0000 34452.2653 -149117.3171 300.8802 -183569.5825 -149016.0276 299.3078 -46.1467 -9.6814 557059.6104 2.7225 2.6992 PRESSURE: 1574000 -119.392 -20.057 78.4315 -20.0563 -176.955 29.1587 78.4306 29.1585 -142.554 GPRESSURE: 1574000 -41.6535 -18.3422 219.657 26.7816 -134.796 -8.30395 -21.9031 43.1958 -165.894 PRESSAVG: 1574000 22.2705 2.60937 35.6926 2.60944 -39.2599 13.2673 35.6924 13.2673 2.94021 GPRESSAVG: 1574000 22.366 1.37794 37.4794 2.10111 -40.8687 11.8914 34.9525 14.5869 4.04011 TIMING: 1574000 CPU: 4698.63, 0.0030026/step Wall: 4698.63, 0.0030026/step, 2.85748 hours remaining, 207.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1574000 711.4140 2092.9513 1959.1001 113.3449 -206035.8736 17555.5248 0.0000 0.0000 34513.5476 -149089.9909 301.4154 -183603.5385 -148990.5628 299.5588 -146.3006 -114.1144 557879.3682 -4.6831 -4.8209 PRESSURE: 1574200 384.004 81.1081 90.2254 81.1095 103.714 136.63 90.2245 136.629 338.023 GPRESSURE: 1574200 451.62 -7.82349 94.8009 15.7469 164.236 125.19 115.23 187.329 314.056 PRESSAVG: 1574200 42.4215 24.1353 50.8386 24.1353 -63.23 -11.0533 50.8385 -11.0534 -36.6823 GPRESSAVG: 1574200 43.7279 22.9134 48.8079 26.0414 -62.2746 -9.52597 51.9023 -10.3962 -39.1067 TIMING: 1574200 CPU: 4699.23, 0.0029867/step Wall: 4699.23, 0.0029867/step, 2.84218 hours remaining, 207.554688 MB of memory in use. ENERGY: 1574200 715.1827 2081.1159 1960.3387 105.5285 -206123.8433 17949.3573 0.0000 0.0000 34327.1710 -148985.1492 299.7877 -183312.3201 -148896.7952 299.7916 275.2471 309.9708 555100.1809 -19.1636 -19.2178 PRESSURE: 1574400 133.857 -33.3463 6.31869 -33.3464 186.111 80.6397 6.31936 80.6384 384.362 GPRESSURE: 1574400 170.042 -105.538 141.315 21.1501 246.28 92.9765 -36.2596 105.024 395.446 PRESSAVG: 1574400 74.2624 28.4214 18.0942 28.4215 -39.3372 21.7911 18.0942 21.7909 -31.7792 GPRESSAVG: 1574400 73.3046 30.419 20.5313 26.3468 -39.9189 20.7409 17.5601 19.2606 -30.5022 TIMING: 1574400 CPU: 4699.83, 0.00300766/step Wall: 4699.83, 0.00300766/step, 2.86196 hours remaining, 207.554688 MB of memory in use. ENERGY: 1574400 702.3197 2085.7040 1948.7476 101.7759 -206296.5765 18061.7334 0.0000 0.0000 34409.8176 -148986.4783 300.5095 -183396.2959 -148891.7831 299.6358 234.7765 270.5897 557869.8871 1.0487 0.9612 PRESSURE: 1574600 156.275 -2.05091 28.6665 -2.05131 195.657 137.441 28.6673 137.44 118.954 GPRESSURE: 1574600 149.616 -142.456 4.37321 15.13 218.893 180.184 55.5769 148.908 195.82 PRESSAVG: 1574600 -40.9499 -24.4753 -2.3336 -24.4754 8.34118 112.063 -2.33358 112.062 11.8213 GPRESSAVG: 1574600 -40.542 -24.2119 -4.86629 -23.9079 9.32377 112.792 -0.382696 114.02 10.2618 TIMING: 1574600 CPU: 4700.43, 0.0029959/step Wall: 4700.43, 0.0029959/step, 2.8506 hours remaining, 207.554688 MB of memory in use. ENERGY: 1574600 717.5441 2129.0088 1924.7537 111.5994 -205804.7453 17681.0730 0.0000 0.0000 34231.7525 -149009.0139 298.9544 -183240.7664 -148912.6986 299.3172 156.9617 188.1097 557464.5712 -6.9291 -6.9855 PRESSURE: 1574800 -30.2106 -14.1408 -39.925 -14.1404 122.25 65.3799 -39.926 65.3788 190.385 GPRESSURE: 1574800 0.234922 -92.4108 6.32328 94.5503 180.376 83.3646 -53.9838 57.6201 193.565 PRESSAVG: 1574800 -57.2669 38.4957 -31.327 38.4957 -8.09527 36.702 -31.3271 36.702 52.4283 GPRESSAVG: 1574800 -57.8305 36.8125 -31.1307 39.5473 -9.76973 34.4553 -31.6711 36.748 53.6765 TIMING: 1574800 CPU: 4701.03, 0.00299996/step Wall: 4701.03, 0.00299996/step, 2.8543 hours remaining, 207.554688 MB of memory in use. ENERGY: 1574800 740.1294 2099.1570 1932.7130 101.1568 -206146.2399 17867.0133 0.0000 0.0000 34495.9260 -148910.1444 301.2615 -183406.0704 -148812.3172 299.9801 94.1415 124.7250 556494.5669 -4.3113 -4.6413 PRESSURE: 1575000 209.543 112.914 -52.5261 112.916 68.5393 198.939 -52.5258 198.941 -188.296 GPRESSURE: 1575000 204.585 146.238 -19.6199 71.5522 122.464 186.676 -22.952 257.395 -159.263 PRESSAVG: 1575000 -7.67339 37.6315 31.0191 37.6316 -14.6193 21.9005 31.0191 21.9005 30.3001 GPRESSAVG: 1575000 -9.05249 37.1808 32.2709 36.7182 -13.4939 24.4447 28.6728 21.3469 30.5621 TIMING: 1575000 CPU: 4701.63, 0.00299119/step Wall: 4701.63, 0.00299119/step, 2.84578 hours remaining, 207.554688 MB of memory in use. ENERGY: 1575000 782.8569 2131.0872 1935.7894 116.6483 -205860.4887 17659.0740 0.0000 0.0000 34302.4913 -148932.5415 299.5722 -183235.0329 -148839.4908 299.7515 29.9289 55.9284 557278.2118 2.6691 2.6719 PRESSURE: 1575200 -110.834 48.5286 3.49822 48.5295 -45.2668 -37.0913 3.49885 -37.0911 40.7742 GPRESSURE: 1575200 -53.4977 64.9472 98.3386 26.6559 -13.8874 -91.8227 -25.2105 -73.7874 47.5761 PRESSAVG: 1575200 -5.6482 2.11039 -12.4053 2.11045 94.3474 31.9148 -12.4053 31.9147 -61.4213 GPRESSAVG: 1575200 -5.35134 3.21788 -14.0078 1.95696 94.0473 31.6087 -10.8276 31.5427 -61.7098 TIMING: 1575200 CPU: 4702.22, 0.00297873/step Wall: 4702.22, 0.00297873/step, 2.83376 hours remaining, 207.554688 MB of memory in use. ENERGY: 1575200 745.9187 2108.9337 1949.9514 102.8768 -206161.0668 17719.9781 0.0000 0.0000 34509.0636 -149024.3447 301.3762 -183533.4083 -148923.5574 299.7428 -38.4422 -6.6030 555945.3429 9.0926 8.9954 PRESSURE: 1575400 -159.631 102.53 116.44 102.53 166.853 -115.408 116.441 -115.408 21.8473 GPRESSURE: 1575400 -195.393 18.772 177.432 151.229 230.295 -102.121 69.1163 -148.73 93.1531 PRESSAVG: 1575400 -38.961 35.5958 51.1239 35.5957 72.5752 70.914 51.124 70.914 -49.6784 GPRESSAVG: 1575400 -39.9221 34.6454 50.5478 36.4121 72.38 68.0896 53.1739 72.2866 -48.9392 TIMING: 1575400 CPU: 4702.82, 0.00297628/step Wall: 4702.82, 0.00297628/step, 2.83126 hours remaining, 207.554688 MB of memory in use. ENERGY: 1575400 710.2623 2136.5741 1926.8475 113.6325 -206114.1015 17722.9824 0.0000 0.0000 34451.2415 -149052.5612 300.8713 -183503.8027 -148956.8978 300.0034 9.6896 42.6849 555003.9755 -5.3547 -5.4937 PRESSURE: 1575600 -310.662 161.677 -58.4813 161.676 -248.866 87.6252 -58.4819 87.6255 26.1255 GPRESSURE: 1575600 -229.635 110.876 -45.5958 126.637 -235.13 127.397 -116.387 24.0269 53.8132 PRESSAVG: 1575600 -77.8932 7.3577 9.32958 7.35786 28.0868 9.63101 9.32958 9.63108 34.7383 GPRESSAVG: 1575600 -76.8308 5.85474 8.69889 7.85093 27.4772 11.9471 7.4397 8.62201 34.2002 TIMING: 1575600 CPU: 4703.42, 0.00301469/step Wall: 4703.42, 0.00301469/step, 2.86764 hours remaining, 207.554688 MB of memory in use. ENERGY: 1575600 727.6841 2158.0436 1924.0684 106.4535 -205637.8502 17439.7339 0.0000 0.0000 34215.6153 -149066.2513 298.8135 -183281.8666 -148967.1811 300.0543 -177.8009 -136.9839 557183.6879 -5.0227 -5.0511 PRESSURE: 1575800 1.16475 58.8996 -6.26246 58.9011 36.046 22.378 -6.263 22.3774 19.2924 GPRESSURE: 1575800 45.3331 -5.36454 54.3004 56.6421 53.896 7.10018 -76.1715 67.4799 62.6618 PRESSAVG: 1575800 -50.2116 37.124 -25.6847 37.1239 40.5397 32.4046 -25.6847 32.4045 -1.89923 GPRESSAVG: 1575800 -49.492 38.0206 -25.0189 35.6887 39.981 33.1707 -24.1968 32.8969 -2.36638 TIMING: 1575800 CPU: 4704.02, 0.00301502/step Wall: 4704.02, 0.00301502/step, 2.86779 hours remaining, 207.554688 MB of memory in use. ENERGY: 1575800 751.3049 2123.7066 1925.4692 117.4682 -206095.4473 17748.9629 0.0000 0.0000 34329.3944 -149099.1411 299.8071 -183428.5356 -148993.1255 299.9189 18.8344 53.9636 556524.3674 -3.8571 -3.9591 PRESSURE: 1576000 9.92207 73.6755 -44.6723 73.6762 -82.0002 83.9677 -44.6715 83.9651 25.3061 GPRESSURE: 1576000 77.1015 30.5017 -39.6872 135.212 -52.9934 8.2713 -35.2096 128.722 19.2018 PRESSAVG: 1576000 39.3861 -2.10033 -0.349655 -2.10029 61.602 -53.282 -0.34971 -53.2821 -71.9347 GPRESSAVG: 1576000 38.5424 -1.58978 -0.283267 -1.93468 61.1947 -53.4293 -1.4631 -54.7271 -70.9671 TIMING: 1576000 CPU: 4704.62, 0.00299604/step Wall: 4704.62, 0.00299605/step, 2.84957 hours remaining, 207.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1576000 750.1759 2123.9795 1918.2458 116.0089 -205893.5537 17489.3209 0.0000 0.0000 34291.3313 -149204.4913 299.4747 -183495.8227 -149103.6613 299.6409 -15.5907 14.4366 555804.2617 9.6845 9.5900 PRESSURE: 1576200 265.365 85.9211 -11.216 85.9199 113.787 -81.6281 -11.216 -81.6283 -310.748 GPRESSURE: 1576200 284.589 105.668 1.25277 18.143 172.77 -36.4045 -5.34602 -113.315 -275.751 PRESSAVG: 1576200 2.67031 76.4112 -17.2875 76.4112 36.1685 34.2953 -17.2875 34.2954 -11.9955 GPRESSAVG: 1576200 3.56782 75.9533 -18.0271 77.1926 35.5629 34.35 -18.3284 34.7813 -12.1427 TIMING: 1576200 CPU: 4705.22, 0.00301185/step Wall: 4705.22, 0.00301185/step, 2.86444 hours remaining, 207.753906 MB of memory in use. ENERGY: 1576200 678.9617 2089.3617 1964.1076 119.2915 -206137.4990 17760.2402 0.0000 0.0000 34094.3812 -149431.1551 297.7547 -183525.5364 -149336.4641 298.7565 22.8010 60.5362 556088.1024 8.9478 8.9960 LDB: ============= START OF LOAD BALANCING ============== 4708.78 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4708.78 LDB: =============== DONE WITH MIGRATION ================ 4708.78 LDB: ============= START OF LOAD BALANCING ============== 4709.08 LDB: Largest compute 4772 load 0.028094 is 23.8% of average load 0.118119 LDB: Average compute 0.001726 is 1.5% of average load 0.118119 LDB: TIME 4709.08 LOAD: AVG 0.118119 MAX 0.212304 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.551 MB LDB: TIME 4709.08 LOAD: AVG 0.118119 MAX 0.212304 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.551 MB LDB: TIME 4709.08 LOAD: AVG 0.118119 MAX 0.212304 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.551 MB LDB: ============== END OF LOAD BALANCING =============== 4709.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4709.08 PRESSURE: 1576400 -66.2201 170.114 -11.9927 170.114 5.9839 -6.15384 -11.9929 -6.15425 152.288 GPRESSURE: 1576400 -38.5291 200.819 55.6083 100.349 81.6641 -80.5568 -21.1616 -51.1529 134.969 PRESSAVG: 1576400 -18.0235 -4.9236 -39.7325 -4.92358 78.6706 -52.5747 -39.7327 -52.5745 -57.4494 GPRESSAVG: 1576400 -17.8256 -3.64165 -38.7556 -3.87205 78.7542 -53.6019 -37.6751 -52.5115 -57.2356 TIMING: 1576400 CPU: 4705.84, 0.00305538/step Wall: 4705.84, 0.00305538/step, 2.90566 hours remaining, 206.714844 MB of memory in use. ENERGY: 1576400 690.7409 2122.9936 1943.4208 108.8151 -206062.9918 17606.9196 0.0000 0.0000 34188.1510 -149401.9508 298.5736 -183590.1018 -149306.8526 298.8873 30.6838 59.3679 557160.2214 1.0659 1.2310 PRESSURE: 1576600 -219.821 95.0094 -84.3569 95.0084 12.7669 129.054 -84.3586 129.057 -136.614 GPRESSURE: 1576600 -156.355 140.449 -47.9074 102.019 41.3721 116.675 -155.605 113.299 -127.062 PRESSAVG: 1576600 22.9774 3.25252 -62.4544 3.25238 43.3282 -33.9836 -62.4543 -33.9836 -38.5784 GPRESSAVG: 1576600 23.4016 3.19136 -62.1833 2.42793 42.161 -34.3311 -65.5291 -34.289 -37.9971 TIMING: 1576600 CPU: 4706.43, 0.00298262/step Wall: 4706.43, 0.00298262/step, 2.8363 hours remaining, 206.714844 MB of memory in use. ENERGY: 1576600 778.3106 2081.2876 1956.2193 114.6026 -206023.6520 17511.1325 0.0000 0.0000 34261.0353 -149321.0640 299.2101 -183582.0994 -149219.6349 298.8582 -114.5561 -80.6814 556131.1989 9.2424 9.1885 PRESSURE: 1576800 -65.5414 7.41288 -6.32682 7.41334 106.52 68.301 -6.32665 68.302 -211.926 GPRESSURE: 1576800 -48.9268 14.8094 104.535 29.6094 150.678 78.9281 -52.5314 49.2983 -166.479 PRESSAVG: 1576800 -41.627 7.49235 -33.4259 7.49241 68.9426 -8.46231 -33.4259 -8.46228 -21.4993 GPRESSAVG: 1576800 -43.4521 6.37164 -32.9224 7.8547 69.3087 -7.42199 -32.6271 -8.63984 -20.415 TIMING: 1576800 CPU: 4707.03, 0.00298884/step Wall: 4707.03, 0.00298884/step, 2.84205 hours remaining, 206.714844 MB of memory in use. ENERGY: 1576800 722.7412 2133.7739 1923.7918 119.7795 -206283.9873 17663.7254 0.0000 0.0000 34165.3327 -149554.8428 298.3743 -183720.1755 -149456.5007 299.0233 -56.9826 -21.5760 556221.4945 1.9388 1.8139 PRESSURE: 1577000 -157.546 92.2938 -9.12945 92.2938 -212.907 -95.5838 -9.1287 -95.5831 -340.389 GPRESSURE: 1577000 -111.024 113.701 31.282 67.0196 -193.192 -28.5948 73.3061 -114.216 -307.923 PRESSAVG: 1577000 -4.05078 66.2396 -115.507 66.2396 -1.26333 10.932 -115.507 10.932 32.62 GPRESSAVG: 1577000 -3.01983 64.9493 -116.16 66.9623 -0.965751 11.1075 -114.224 12.4103 31.5314 TIMING: 1577000 CPU: 4707.62, 0.00297698/step Wall: 4707.62, 0.00297698/step, 2.83061 hours remaining, 206.714844 MB of memory in use. ENERGY: 1577000 744.7400 2077.7880 1952.7839 118.1572 -206142.4709 17419.6776 0.0000 0.0000 34326.7682 -149502.5561 299.7842 -183829.3243 -149402.4105 298.4603 -236.9475 -204.0461 557755.4151 9.1020 9.1819 PRESSURE: 1577200 -199.309 -88.089 -32.2186 -88.0893 225.015 70.6714 -32.2178 70.6719 -236.159 GPRESSURE: 1577200 -117.541 -107.946 -57.3181 -28.9604 242.666 61.2396 11.4648 44.7119 -240.827 PRESSAVG: 1577200 20.486 10.854 -25.2193 10.854 44.9085 -8.3435 -25.2193 -8.34356 -60.5343 GPRESSAVG: 1577200 19.1172 13.402 -26.6535 8.6144 46.1712 -9.16715 -26.1651 -10.0419 -60.7612 TIMING: 1577200 CPU: 4708.22, 0.00298542/step Wall: 4708.22, 0.00298542/step, 2.83848 hours remaining, 206.714844 MB of memory in use. ENERGY: 1577200 743.2332 2142.7783 1945.7886 107.4233 -205763.6454 17581.2614 0.0000 0.0000 33854.8547 -149388.3058 295.6629 -183243.1606 -149300.0394 298.7425 -70.1508 -38.5674 555674.9244 1.6201 1.5091 PRESSURE: 1577400 52.053 -144.404 -0.293142 -144.404 99.028 -143.299 -0.292226 -143.297 135.487 GPRESSURE: 1577400 56.5311 -144.554 40.4783 -159.896 208.415 -173.849 7.45557 -159.901 123.924 PRESSAVG: 1577400 -10.2198 8.22984 -4.03883 8.22985 64.8992 7.1551 -4.03885 7.15499 -34.9281 GPRESSAVG: 1577400 -10.2945 6.59307 -2.83448 10.4111 66.0226 6.88575 -3.40253 7.86179 -35.7122 TIMING: 1577400 CPU: 4708.82, 0.00299938/step Wall: 4708.82, 0.00299938/step, 2.85158 hours remaining, 206.714844 MB of memory in use. ENERGY: 1577400 739.1728 2068.6635 1950.4446 117.9463 -206239.2367 17851.8751 0.0000 0.0000 34302.6294 -149208.5049 299.5734 -183511.1343 -149111.4000 298.7587 95.5227 129.6236 555708.0608 6.5838 6.6719 PRESSURE: 1577600 111.703 39.4808 18.7565 39.4808 -20.6709 -186.211 18.7589 -186.207 -15.4338 GPRESSURE: 1577600 130.074 -31.4656 -31.9798 30.2142 -7.64091 -169.208 -46.6687 -137.774 67.5779 PRESSAVG: 1577600 -68.528 -20.4068 20.8982 -20.407 8.96379 -45.9963 20.8983 -45.9964 -10.5417 GPRESSAVG: 1577600 -66.5801 -20.9487 21.0926 -21.0021 6.4752 -44.2966 18.7457 -46.433 -10.1215 TIMING: 1577600 CPU: 4709.42, 0.00300089/step Wall: 4709.42, 0.00300089/step, 2.85285 hours remaining, 206.714844 MB of memory in use. ENERGY: 1577600 766.0221 2096.6978 1930.8532 125.7286 -206388.1017 17801.4168 0.0000 0.0000 34430.4145 -149236.9687 300.6894 -183667.3833 -149137.0928 299.7575 25.1996 63.3370 554537.6085 -23.3686 -23.4088 PRESSURE: 1577800 34.6026 66.1433 -90.624 66.1428 418.942 138.356 -90.6239 138.355 186.935 GPRESSURE: 1577800 31.8931 144.132 -80.3169 49.8511 487.511 44.5832 -95.2738 220.837 213.596 PRESSAVG: 1577800 -74.3327 17.7379 -27.9966 17.738 31.8804 -19.5737 -27.9966 -19.5735 13.2102 GPRESSAVG: 1577800 -74.4714 17.9918 -27.8707 18.4483 32.7199 -21.8928 -27.3012 -18.4989 12.5103 TIMING: 1577800 CPU: 4710.02, 0.00300072/step Wall: 4710.02, 0.00300072/step, 2.85252 hours remaining, 206.714844 MB of memory in use. ENERGY: 1577800 725.0726 2078.7868 1949.9302 107.3512 -206277.7903 18009.2445 0.0000 0.0000 34066.2675 -149341.1376 297.5092 -183407.4051 -149249.4627 299.5519 213.4932 244.3334 554670.3385 -9.7474 -9.7471 PRESSURE: 1578000 63.5919 -153.76 -107.746 -153.761 -20.3935 -234.461 -107.747 -234.462 8.44616 GPRESSURE: 1578000 75.3637 -91.6546 -27.015 -206.958 9.73598 -268.174 -135.93 -186.404 64.0905 PRESSAVG: 1578000 -33.0793 -12.992 -20.0021 -12.992 86.2805 -25.0772 -20.0021 -25.0773 -67.7966 GPRESSAVG: 1578000 -33.5071 -10.5246 -19.4496 -15.1164 85.6166 -23.6473 -20.5395 -25.925 -66.1378 TIMING: 1578000 CPU: 4710.63, 0.00302108/step Wall: 4710.63, 0.00302108/step, 2.8717 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1578000 751.6256 2038.4341 1942.7624 104.7884 -206184.6121 17897.2337 0.0000 0.0000 34220.3840 -149229.3839 298.8551 -183449.7679 -149122.7878 299.8374 17.2149 49.7301 557408.1935 -4.8651 -4.6761 PRESSURE: 1578200 107.145 99.8307 -99.4536 99.8318 -159.381 -154.764 -99.4562 -154.764 17.4141 GPRESSURE: 1578200 156.407 142.878 -121.508 129.292 -130.293 -206.582 -95.8991 -75.8232 35.9039 PRESSAVG: 1578200 52.4965 29.7066 -46.4238 29.7066 38.276 -41.2839 -46.4239 -41.2838 -76.2516 GPRESSAVG: 1578200 52.5338 27.4885 -47.5299 29.5667 39.9763 -41.5777 -44.8696 -41.1298 -77.9172 TIMING: 1578200 CPU: 4711.22, 0.0029905/step Wall: 4711.22, 0.0029905/step, 2.84247 hours remaining, 206.914062 MB of memory in use. ENERGY: 1578200 786.7824 2076.7238 1926.6127 123.9949 -205684.2285 17652.4159 0.0000 0.0000 34238.7500 -148878.9487 299.0155 -183117.6987 -148778.5305 300.3104 -11.6075 20.6723 557474.2639 4.8403 4.8643 PRESSURE: 1578400 -118.58 75.0108 37.9445 75.0112 -29.4141 44.1229 37.9451 44.1244 -440.931 GPRESSURE: 1578400 -147.676 48.2202 82.355 59.3943 -61.1889 -19.7343 -28.3101 16.0215 -270.925 PRESSAVG: 1578400 9.3944 -23.2509 25.9606 -23.2509 62.6607 0.778649 25.9606 0.778574 -62.3614 GPRESSAVG: 1578400 9.71163 -21.5086 25.852 -23.0942 61.9852 -0.434919 26.6019 1.33893 -61.8563 TIMING: 1578400 CPU: 4711.82, 0.00298585/step Wall: 4711.82, 0.00298585/step, 2.83789 hours remaining, 206.914062 MB of memory in use. ENERGY: 1578400 737.3347 2166.1548 1950.3632 106.9974 -205824.9510 17513.2654 0.0000 0.0000 34503.8565 -148846.9789 301.3308 -183350.8354 -148749.0460 301.2839 -196.3084 -159.9300 557873.0907 3.2312 3.2802 PRESSURE: 1578600 -194.685 -128.801 -137.448 -128.802 -231.929 -45.3112 -137.449 -45.3125 81.7141 GPRESSURE: 1578600 -129.358 -288.779 -116.162 -131.64 -203.979 -41.9534 -47.2224 -34.1649 94.893 PRESSAVG: 1578600 32.0228 4.00517 35.9118 4.00513 16.5795 25.9804 35.9117 25.9804 7.94187 GPRESSAVG: 1578600 32.1226 1.80193 34.8654 3.86586 16.7237 26.957 35.1552 27.3629 8.14571 TIMING: 1578600 CPU: 4712.43, 0.0030308/step Wall: 4712.43, 0.0030308/step, 2.88044 hours remaining, 206.914062 MB of memory in use. ENERGY: 1578600 726.8805 2112.8429 1934.3794 107.2055 -205976.5335 17629.6871 0.0000 0.0000 34440.6263 -149024.9119 300.7786 -183465.5382 -148923.9563 300.6521 -114.9666 -79.4811 558304.2357 18.8481 18.9973 PRESSURE: 1578800 -104.029 -94.6099 80.7926 -94.6092 54.9748 48.4349 80.7919 48.4352 67.2908 GPRESSURE: 1578800 -56.2984 -78.4983 52.028 -85.3022 66.8632 46.1071 95.4106 39.2839 113.131 PRESSAVG: 1578800 -11.4414 19.7459 19.0433 19.7459 -54.0271 -24.1935 19.0434 -24.1935 39.8915 GPRESSAVG: 1578800 -10.2374 21.6828 20.4821 21.3167 -55.7268 -23.3103 20.2056 -26.2869 40.7445 TIMING: 1578800 CPU: 4713.03, 0.00300682/step Wall: 4713.03, 0.00300682/step, 2.85748 hours remaining, 206.914062 MB of memory in use. ENERGY: 1578800 754.1993 2122.3288 1928.5923 105.1369 -206129.5298 17796.0144 0.0000 0.0000 34409.8115 -149013.4467 300.5094 -183423.2582 -148912.4896 299.7753 6.0790 41.2318 556800.1861 -8.5257 -8.4066 PRESSURE: 1579000 -202.69 -2.11146 146.554 -2.11199 -112.306 50.8579 146.553 50.8596 78.7541 GPRESSURE: 1579000 -195.517 -41.0206 231.805 -11.8569 -37.5816 -55.9316 111.604 139.913 97.8677 PRESSAVG: 1579000 -28.7097 36.4157 33.5168 36.4157 -14.8745 24.8479 33.5168 24.8479 34.8862 GPRESSAVG: 1579000 -28.7519 35.2357 33.5691 35.8735 -13.532 25.6613 32.1228 25.7315 33.707 TIMING: 1579000 CPU: 4713.63, 0.00299498/step Wall: 4713.63, 0.00299498/step, 2.84606 hours remaining, 206.914062 MB of memory in use. ENERGY: 1579000 783.8236 2066.3133 1931.2248 106.0821 -206099.3337 17854.8633 0.0000 0.0000 34464.0163 -148893.0102 300.9828 -183357.0266 -148793.1413 300.2259 -78.7471 -45.0768 557588.2948 -2.8993 -2.8590 PRESSURE: 1579200 43.3946 5.78816 24.1545 5.78593 93.8786 -32.9423 24.1539 -32.9442 175.213 GPRESSURE: 1579200 134.559 0.215108 78.5899 4.17907 114.305 -19.8872 -5.96303 36.1309 156.47 PRESSAVG: 1579200 -64.8268 51.0101 -13.1447 51.0101 -43.8726 22.4128 -13.1447 22.4128 121.641 GPRESSAVG: 1579200 -63.5735 50.7386 -14.7482 51.7909 -44.2977 19.5904 -13.7365 23.7835 120.926 TIMING: 1579200 CPU: 4714.23, 0.00299208/step Wall: 4714.23, 0.00299208/step, 2.84314 hours remaining, 206.914062 MB of memory in use. ENERGY: 1579200 739.5967 2094.5419 1914.7454 100.7568 -205876.1839 17879.3261 0.0000 0.0000 34364.9140 -148782.3031 300.1173 -183147.2171 -148688.2893 300.5338 104.1620 135.1114 557511.5670 4.3138 4.3515 PRESSURE: 1579400 -65.2834 10.6797 -64.3124 10.6785 -297.548 -75.9268 -64.3113 -75.9262 -160.237 GPRESSURE: 1579400 -56.7188 71.1348 -30.4791 19.8729 -241.682 -90.5674 -97.9064 -110.628 -126.355 PRESSAVG: 1579400 41.5217 29.4919 13.7969 29.4919 -6.16656 34.173 13.7969 34.173 -17.2983 GPRESSAVG: 1579400 39.7538 30.0452 15.6754 29.1313 -5.65394 36.3276 15.5253 31.6068 -15.3428 TIMING: 1579400 CPU: 4714.82, 0.00298232/step Wall: 4714.82, 0.00298232/step, 2.8337 hours remaining, 206.914062 MB of memory in use. ENERGY: 1579400 761.1609 2066.0480 1938.3746 119.1871 -205718.6923 17551.1019 0.0000 0.0000 34313.4065 -148969.4133 299.6675 -183282.8198 -148868.6806 300.6423 -174.3559 -141.5851 559063.3029 6.0190 6.2524 PRESSURE: 1579600 39.2242 -48.5775 4.5829 -48.5781 -191.414 8.83767 4.58296 8.83625 -33.9848 GPRESSURE: 1579600 92.0789 -60.5987 6.24084 -17.6656 -157.221 -14.7325 -20.3728 129.937 -36.5798 PRESSAVG: 1579600 60.16 8.16032 5.81016 8.16017 -73.427 -66.472 5.81026 -66.472 -6.30444 GPRESSAVG: 1579600 60.7748 7.75943 5.63758 8.28766 -73.4822 -68.8335 2.65604 -65.6973 -6.90075 TIMING: 1579600 CPU: 4715.43, 0.00300961/step Wall: 4715.43, 0.00300961/step, 2.85947 hours remaining, 206.914062 MB of memory in use. ENERGY: 1579600 730.2281 2065.4273 1935.3848 117.0029 -205431.0607 17527.3730 0.0000 0.0000 34137.9298 -148917.7147 298.1350 -183055.6445 -148821.5530 299.7288 -62.0582 -33.9074 559118.2363 -6.5238 -6.5361 PRESSURE: 1579800 -138.024 120.332 50.1928 120.332 4.92169 61.3207 50.1919 61.32 -112.507 GPRESSURE: 1579800 -123.928 101.947 33.9241 103.765 57.838 148.511 120.924 55.0474 -69.2326 PRESSAVG: 1579800 19.7086 -50.8949 -21.8432 -50.8948 -9.26311 -1.97326 -21.8432 -1.97308 10.0826 GPRESSAVG: 1579800 19 -49.9113 -21.8776 -50.7608 -8.71633 -1.00373 -19.6062 -1.94248 10.3915 TIMING: 1579800 CPU: 4716.03, 0.00300295/step Wall: 4716.03, 0.00300295/step, 2.85297 hours remaining, 206.914062 MB of memory in use. ENERGY: 1579800 766.0651 2038.0720 1920.8014 118.5275 -206059.8865 17763.2157 0.0000 0.0000 34354.7185 -149098.4863 300.0283 -183453.2049 -148998.3237 299.8790 -81.8696 -45.1077 557546.3961 6.8427 6.8917 PRESSURE: 1580000 205.219 -14.9064 123.27 -14.9064 -288.557 -3.66861 123.271 -3.66849 129.766 GPRESSURE: 1580000 229.853 26.7465 130.173 -33.3714 -224.048 -9.96536 194.728 -63.589 131.753 PRESSAVG: 1580000 -34.3153 -7.86426 64.3939 -7.86434 -57.6968 -72.2957 64.3939 -72.2955 60.4575 GPRESSAVG: 1580000 -32.2227 -7.99566 62.9304 -7.00057 -59.5533 -72.0802 64.9615 -72.9878 59.8051 TIMING: 1580000 CPU: 4716.63, 0.00301117/step Wall: 4716.63, 0.00301117/step, 2.86061 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1580000 740.0678 2095.9063 1962.8647 116.4267 -206046.1982 17793.8512 0.0000 0.0000 34364.8611 -148972.2204 300.1169 -183337.0815 -148875.0898 300.3229 15.4761 45.8527 557929.3604 -10.5182 -10.6570 PRESSURE: 1580200 121.975 121.636 193.504 121.636 14.1925 109.195 193.504 109.194 -195.49 GPRESSURE: 1580200 102.865 152.47 149.104 129.843 12.0307 82.8231 87.418 84.0185 -69.9876 PRESSAVG: 1580200 49.2459 27.2 8.3598 27.2 -61.8799 3.78214 8.35981 3.78219 -23.373 GPRESSAVG: 1580200 47.8607 26.3914 9.96022 28.0572 -61.524 5.04422 6.62719 1.78273 -21.6996 TIMING: 1580200 CPU: 4717.23, 0.00300383/step Wall: 4717.23, 0.00300383/step, 2.85347 hours remaining, 206.914062 MB of memory in use. ENERGY: 1580200 763.5411 2105.4868 1949.2296 126.5984 -205847.7529 17742.6081 0.0000 0.0000 34262.5755 -148897.7134 299.2236 -183160.2889 -148802.8352 299.8902 -19.7742 14.9693 557208.1882 -12.0023 -11.7876 LDB: ============= START OF LOAD BALANCING ============== 4720.78 LDB: ============== END OF LOAD BALANCING =============== 4720.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4720.78 LDB: ============= START OF LOAD BALANCING ============== 4721.08 LDB: Largest compute 4773 load 0.027167 is 23.0% of average load 0.118034 LDB: Average compute 0.001729 is 1.5% of average load 0.118034 LDB: TIME 4721.09 LOAD: AVG 0.118034 MAX 0.208956 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.707 MB LDB: TIME 4721.09 LOAD: AVG 0.118034 MAX 0.208956 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.777 MB LDB: TIME 4721.09 LOAD: AVG 0.118034 MAX 0.208956 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.777 MB LDB: ============== END OF LOAD BALANCING =============== 4721.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4721.09 PRESSURE: 1580400 -12.1152 7.79987 64.5341 7.80029 -121.145 74.8212 64.5348 74.8215 67.8413 GPRESSURE: 1580400 35.5203 3.06053 23.2734 -36.0271 -92.0255 123.039 123.062 43.5665 91.4609 PRESSAVG: 1580400 -5.34331 0.588705 14.2253 0.588825 -5.22176 5.75718 14.2253 5.75712 47.9057 GPRESSAVG: 1580400 -4.60524 1.52327 12.0055 -1.3505 -4.90137 4.0325 16.144 7.4563 47.0824 TIMING: 1580400 CPU: 4717.84, 0.00306561/step Wall: 4717.84, 0.00306561/step, 2.91199 hours remaining, 207.351562 MB of memory in use. ENERGY: 1580400 735.7789 2111.7863 1951.2654 129.5937 -206100.5680 17826.5581 0.0000 0.0000 34343.4847 -149002.1010 299.9302 -183345.5857 -148903.1688 299.8791 -21.8064 11.6519 557259.9854 12.4469 12.5253 PRESSURE: 1580600 95.0345 -68.1168 -87.1306 -68.1169 387.863 -92.3185 -87.1312 -92.3177 340.911 GPRESSURE: 1580600 76.2472 -29.8732 -88.9561 -76.1425 452.606 -91.2786 -94.979 -69.6248 387.895 PRESSAVG: 1580600 -24.7508 64.949 -46.0819 64.9489 38.9315 -41.3624 -46.082 -41.3625 -2.46817 GPRESSAVG: 1580600 -24.9969 64.3259 -43.897 65.93 38.6252 -40.6404 -48.2616 -42.7056 -1.84029 TIMING: 1580600 CPU: 4718.44, 0.00299985/step Wall: 4718.44, 0.00299985/step, 2.84936 hours remaining, 207.550781 MB of memory in use. ENERGY: 1580600 747.2002 2202.0303 1949.0645 100.2297 -206363.0620 18121.7710 0.0000 0.0000 34265.2801 -148977.4862 299.2472 -183242.7663 -148882.3466 299.4731 274.6029 305.5828 556739.1901 3.9042 3.9294 PRESSURE: 1580800 92.9171 22.5669 -65.9038 22.5663 -292.942 -119.965 -65.9042 -119.966 -10.4451 GPRESSURE: 1580800 93.6373 45.8525 -58.1141 -13.4827 -251.441 -89.4671 -190.164 -200.91 41.7626 PRESSAVG: 1580800 5.40356 38.8414 25.586 38.8415 16.7102 -47.1528 25.586 -47.1528 4.09443 GPRESSAVG: 1580800 4.3217 39.8785 24.0956 37.8131 17.1804 -48.9114 25.8431 -46.5006 4.38424 TIMING: 1580800 CPU: 4719.04, 0.00298978/step Wall: 4719.04, 0.00298978/step, 2.83963 hours remaining, 207.550781 MB of memory in use. ENERGY: 1580800 730.9085 2166.0449 1926.3166 115.6615 -205921.4951 17578.0209 0.0000 0.0000 34291.2707 -149113.2722 299.4742 -183404.5429 -149012.6039 299.7254 -70.1566 -38.6802 556483.7238 8.7361 8.6288 PRESSURE: 1581000 -340.722 93.5828 -22.2134 93.5828 173.646 -36.2922 -22.2142 -36.2913 -271.031 GPRESSURE: 1581000 -273.92 60.8775 -5.03773 77.7096 208.591 -76.3011 -7.15127 -35.2762 -263.718 PRESSAVG: 1581000 -19.6811 41.0824 -28.9001 41.0822 17.323 -32.7501 -28.9002 -32.75 -18.3104 GPRESSAVG: 1581000 -18.3873 40.7143 -29.8144 41.6679 17.7328 -33.9779 -26.1163 -32.1832 -19.7484 TIMING: 1581000 CPU: 4719.64, 0.0030229/step Wall: 4719.64, 0.0030229/step, 2.87092 hours remaining, 207.550781 MB of memory in use. ENERGY: 1581000 752.7382 2085.4973 1948.0517 115.5657 -205901.3550 17549.8819 0.0000 0.0000 34255.2264 -149194.3938 299.1594 -183449.6202 -149098.2343 299.1646 -146.0359 -109.6823 557236.4631 -6.8895 -6.8010 PRESSURE: 1581200 -238.3 110.766 -285.043 110.767 -71.1015 -232.887 -285.043 -232.888 100.034 GPRESSURE: 1581200 -258.024 154.838 -329.082 80.1367 -44.9324 -336.581 -293.531 -59.118 189.859 PRESSAVG: 1581200 2.25929 17.3091 6.12323 17.309 -4.18006 28.5968 6.12325 28.5967 -30.462 GPRESSAVG: 1581200 1.71145 17.8508 5.93818 17.8942 -5.23713 27.0468 2.86918 30.4992 -28.523 TIMING: 1581200 CPU: 4720.25, 0.00302615/step Wall: 4720.25, 0.00302615/step, 2.87383 hours remaining, 207.550781 MB of memory in use. ENERGY: 1581200 744.1092 2055.0530 1932.1693 118.9120 -205890.5252 17697.4271 0.0000 0.0000 34136.4528 -149206.4020 298.1221 -183342.8547 -149104.0281 298.9894 -69.7894 -37.6990 557509.5982 -10.7942 -10.6829 PRESSURE: 1581400 9.22897 165.377 -48.184 165.378 -376.772 -223.716 -48.1837 -223.714 -44.5003 GPRESSURE: 1581400 59.362 180.923 -74.9749 78.908 -336.638 -238.417 -37.8438 -218.786 -39.9507 PRESSAVG: 1581400 -7.05454 20.1029 -34.9048 20.1029 18.5811 -18.5365 -34.9048 -18.5365 -15.0487 GPRESSAVG: 1581400 -5.68762 19.94 -34.9484 18.7263 18.8448 -15.0407 -34.1962 -20.2138 -16.3809 TIMING: 1581400 CPU: 4720.85, 0.00300058/step Wall: 4720.85, 0.00300058/step, 2.84939 hours remaining, 207.550781 MB of memory in use. ENERGY: 1581400 793.9774 2101.8620 1942.6352 103.4502 -206177.5979 17697.4522 0.0000 0.0000 34488.2905 -149049.9304 301.1948 -183538.2209 -148958.4011 300.0487 -137.3479 -105.7423 556709.7256 -1.1741 -1.0746 PRESSURE: 1581600 171.679 159.257 -2.14763 159.257 264.864 0.853317 -2.14745 0.851213 -6.45486 GPRESSURE: 1581600 145.585 164.384 47.1082 120.596 315.66 10.3827 -66.7041 1.3099 40.7823 PRESSAVG: 1581600 46.753 64.9617 -47.207 64.9618 -30.2074 -41.3603 -47.207 -41.3603 -5.87124 GPRESSAVG: 1581600 46.0689 64.0789 -46.5278 66.8629 -29.6429 -42.0704 -49.0575 -40.0597 -5.80457 TIMING: 1581600 CPU: 4721.45, 0.00298789/step Wall: 4721.45, 0.00298789/step, 2.83717 hours remaining, 207.550781 MB of memory in use. ENERGY: 1581600 749.9728 2139.6923 1938.9800 116.2888 -206316.0048 18064.4994 0.0000 0.0000 34136.8759 -149169.6956 298.1258 -183306.5715 -149078.0344 299.9044 143.3627 167.3424 558013.0049 3.5581 3.5405 PRESSURE: 1581800 -263.073 55.5296 16.0716 55.5309 -58.3827 7.22486 16.0703 7.22406 54.3093 GPRESSURE: 1581800 -191.534 34.5344 44.4497 41.1532 -42.2153 -19.0625 35.1934 12.1571 76.1088 PRESSAVG: 1581800 12.739 26.5542 -23.6145 26.5541 40.8978 39.2555 -23.6145 39.2556 -8.67856 GPRESSAVG: 1581800 13.7901 27.0688 -22.658 25.1837 41.1586 40.0121 -21.1161 39.2287 -9.69404 TIMING: 1581800 CPU: 4722.05, 0.00299596/step Wall: 4722.05, 0.00299596/step, 2.84466 hours remaining, 207.550781 MB of memory in use. ENERGY: 1581800 785.7518 2125.1600 1957.5252 108.7966 -206346.0569 17797.6838 0.0000 0.0000 34313.7023 -149257.4371 299.6701 -183571.1394 -149161.3473 299.4366 -89.0489 -52.5470 558681.5992 14.9861 15.0849 PRESSURE: 1582000 18.7316 88.9224 -114.002 88.9223 10.7312 67.4631 -114.001 67.4632 -63.5982 GPRESSURE: 1582000 35.0686 104.244 -74.412 56.4736 42.5925 75.0825 -79.0154 95.8304 -22.5859 PRESSAVG: 1582000 -59.4433 -0.44959 10.9362 -0.449637 85.3034 15.7726 10.9362 15.7726 -15.4959 GPRESSAVG: 1582000 -59.4002 0.257071 9.29246 0.0556276 84.4862 13.6809 12.6109 15.3023 -14.5605 TIMING: 1582000 CPU: 4722.64, 0.00297658/step Wall: 4722.64, 0.00297658/step, 2.8261 hours remaining, 207.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1582000 744.5802 2096.2807 1940.6695 111.6432 -206397.9787 17935.2177 0.0000 0.0000 34333.4828 -149236.1047 299.8428 -183569.5875 -149138.8868 299.1714 -11.3785 18.3584 558222.6714 3.4547 3.5085 PRESSURE: 1582200 -239.087 24.9537 104.571 24.9533 -288.297 172.948 104.571 172.948 21.3979 GPRESSURE: 1582200 -185.737 -52.6404 188.615 29.467 -204.068 181.044 105.338 155.762 -24.9501 PRESSAVG: 1582200 -62.7978 34.2244 4.34738 34.2243 82.3284 71.2992 4.34741 71.2992 7.08828 GPRESSAVG: 1582200 -62.0959 32.3871 4.57021 33.9357 83.1952 71.6976 3.24887 70.9099 6.22855 TIMING: 1582200 CPU: 4723.24, 0.00300615/step Wall: 4723.24, 0.00300615/step, 2.854 hours remaining, 207.550781 MB of memory in use. ENERGY: 1582200 715.9219 2130.2730 1909.5507 102.6314 -206248.6075 17655.4706 0.0000 0.0000 34324.7064 -149410.0533 299.7662 -183734.7597 -149317.1284 299.1377 -168.6621 -138.2520 559045.7443 8.8730 9.1093 PRESSURE: 1582400 59.5859 50.5704 -236.719 50.5701 -36.9076 -15.0036 -236.718 -15.0046 -63.3955 GPRESSURE: 1582400 75.4939 8.66232 -291.74 94.3096 -15.8954 -0.970191 -110.409 -86.5412 6.86605 PRESSAVG: 1582400 -31.6221 33.9212 18.5018 33.9212 -16.0585 -18.571 18.5018 -18.571 7.82119 GPRESSAVG: 1582400 -31.9924 33.2986 21.199 33.6029 -15.3548 -19.347 16.6081 -17.8479 7.80658 TIMING: 1582400 CPU: 4723.85, 0.0030312/step Wall: 4723.85, 0.0030312/step, 2.87762 hours remaining, 207.550781 MB of memory in use. ENERGY: 1582400 713.9902 2086.7057 1902.5016 104.9629 -206458.4202 17751.1531 0.0000 0.0000 34345.6079 -149553.4989 299.9487 -183899.1068 -149451.3693 298.6776 -13.5724 22.1548 557414.4275 -13.2865 -13.1802 PRESSURE: 1582600 89.5625 -50.2189 74.3109 -50.2212 -47.9683 -29.1213 74.3118 -29.1211 185.927 GPRESSURE: 1582600 146.432 -92.8562 33.2129 30.2424 -30.0119 44.3095 91.0201 5.82766 201.742 PRESSAVG: 1582600 5.53019 39.7078 58.1784 39.7077 17.5399 -18.8908 58.1784 -18.8908 -16.0499 GPRESSAVG: 1582600 6.14275 40.9332 56.3002 38.8217 16.5571 -17.6735 58.9484 -19.3294 -15.5581 TIMING: 1582600 CPU: 4724.46, 0.00307287/step Wall: 4724.46, 0.00307287/step, 2.91701 hours remaining, 207.550781 MB of memory in use. ENERGY: 1582600 762.8320 2131.3245 1948.4213 103.0043 -206535.6224 17921.6703 0.0000 0.0000 33982.1616 -149686.2084 296.7747 -183668.3700 -149579.6341 297.6931 75.8404 106.0539 556509.2217 2.3401 2.3806 PRESSURE: 1582800 -40.8728 131.048 -52.6956 131.049 13.249 -184.118 -52.6947 -184.118 107.982 GPRESSURE: 1582800 -0.838543 69.1812 -132.323 92.214 110.993 -196.674 44.5039 -209.723 69.9232 PRESSAVG: 1582800 59.1957 40.5967 2.25877 40.5967 -76.5303 -4.70367 2.25879 -4.70371 -36.2044 GPRESSAVG: 1582800 58.354 39.4791 2.8902 41.7355 -75.446 -7.37482 2.18155 -2.3807 -35.605 TIMING: 1582800 CPU: 4725.07, 0.00303723/step Wall: 4725.07, 0.00303723/step, 2.883 hours remaining, 207.550781 MB of memory in use. ENERGY: 1582800 719.3431 2115.4494 1945.0747 112.4055 -206510.0261 17990.0077 0.0000 0.0000 33984.4525 -149643.2932 296.7947 -183627.7458 -149543.3412 298.7378 26.7859 60.0259 557318.7730 -17.8463 -17.5657 PRESSURE: 1583000 189.848 -332.266 111.368 -332.265 -61.7611 -56.5804 111.368 -56.5812 69.4177 GPRESSURE: 1583000 102.829 -282.013 47.8861 -280.451 18.3889 -128.644 196.999 -68.27 166.021 PRESSAVG: 1583000 18.9938 40.0032 -18.0024 40.0032 -42.0921 8.61785 -18.0023 8.61787 -11.1851 GPRESSAVG: 1583000 18.9967 39.9824 -18.5058 40.5171 -42.4168 11.4992 -18.8209 7.04342 -11.35 TIMING: 1583000 CPU: 4725.67, 0.00299771/step Wall: 4725.67, 0.00299771/step, 2.84533 hours remaining, 207.550781 MB of memory in use. ENERGY: 1583000 734.7665 2037.9863 1925.0685 119.1253 -206487.0335 17907.4903 0.0000 0.0000 34248.6066 -149513.9900 299.1016 -183762.5965 -149410.3901 298.1239 65.8347 95.7464 557220.6925 -11.4278 -11.5900 PRESSURE: 1583200 265.509 184.405 98.2934 184.405 -84.7838 141.986 98.2932 141.987 -106.671 GPRESSURE: 1583200 287.711 200.892 101.558 83.5206 -68.9115 72.8239 11.6702 170.474 -45.4181 PRESSAVG: 1583200 41.3934 -5.87091 9.45551 -5.87078 9.69523 1.49762 9.45558 1.49764 -0.729247 GPRESSAVG: 1583200 41.137 -5.32011 9.98146 -6.28096 8.97502 0.393762 8.62259 0.703532 -0.660341 TIMING: 1583200 CPU: 4726.27, 0.00298061/step Wall: 4726.27, 0.00298061/step, 2.82893 hours remaining, 207.550781 MB of memory in use. ENERGY: 1583200 754.8893 2112.7681 1940.1238 116.4973 -206576.3126 17903.5252 0.0000 0.0000 34078.6482 -149669.8607 297.6173 -183748.5090 -149572.2482 297.8425 24.6849 57.7939 555994.3239 16.7865 16.4839 PRESSURE: 1583400 -208.898 39.4587 95.1018 39.4585 -33.4087 -51.6041 95.1021 -51.6036 132.059 GPRESSURE: 1583400 -185.049 43.3961 80.9245 1.07391 13.7875 0.133643 146.501 -34.2631 159.127 PRESSAVG: 1583400 -24.7083 -47.6144 28.4143 -47.6143 38.0437 39.3021 28.4143 39.302 -13.9165 GPRESSAVG: 1583400 -25.7221 -46.075 27.7769 -47.2401 39.6171 39.6271 29.9476 38.7069 -14.4513 TIMING: 1583400 CPU: 4726.87, 0.00299223/step Wall: 4726.87, 0.00299223/step, 2.83979 hours remaining, 207.550781 MB of memory in use. ENERGY: 1583400 750.1479 2091.6975 1941.7629 105.9589 -206579.4226 17667.3063 0.0000 0.0000 34219.6543 -149802.8947 298.8488 -184022.5490 -149702.2353 298.1726 -36.7494 -4.0448 556324.4678 -0.1937 -0.1854 PRESSURE: 1583600 -37.0294 164.268 44.1312 164.268 22.8954 108.928 44.131 108.929 -241.359 GPRESSURE: 1583600 23.1199 82.7578 -45.763 191.162 54.6113 181.353 137.946 33.5999 -229.728 PRESSAVG: 1583600 -46.9405 -10.8994 31.8463 -10.8994 40.7864 83.205 31.8463 83.205 4.1737 GPRESSAVG: 1583600 -45.0831 -10.62 32.0941 -12.0514 38.0344 83.3161 32.1374 81.5776 4.75179 TIMING: 1583600 CPU: 4727.47, 0.00300751/step Wall: 4727.47, 0.00300751/step, 2.85413 hours remaining, 207.550781 MB of memory in use. ENERGY: 1583600 751.9983 2064.3391 1952.2956 110.0489 -206474.1413 17599.1769 0.0000 0.0000 34074.8108 -149921.4717 297.5838 -183996.2825 -149827.4485 297.9628 -85.1642 -50.6655 554341.2119 -0.6601 -0.7656 PRESSURE: 1583800 -48.8428 59.6051 4.07681 59.606 375.323 -161.124 4.07637 -161.124 -4.00815 GPRESSURE: 1583800 1.05591 104.069 28.3968 95.6167 411.815 -74.245 -83.4738 -151.798 -6.60553 PRESSAVG: 1583800 -32.2209 46.1285 -48.269 46.1285 27.1946 21.39 -48.2689 21.3899 50.5628 GPRESSAVG: 1583800 -33.2251 47.4129 -50.1108 47.5154 28.6794 19.379 -47.4618 24.7085 49.715 TIMING: 1583800 CPU: 4728.07, 0.00302947/step Wall: 4728.07, 0.00302947/step, 2.8748 hours remaining, 207.550781 MB of memory in use. ENERGY: 1583800 737.9643 2039.6998 1911.0274 108.0124 -206877.3450 18078.5584 0.0000 0.0000 34028.9270 -149973.1556 297.1831 -184002.0826 -149887.1687 297.7075 107.4907 135.4217 555259.9842 15.1788 15.0564 PRESSURE: 1584000 64.2327 -20.1454 -51.5064 -20.1451 -154.018 108.249 -51.5068 108.248 54.3575 GPRESSURE: 1584000 17.6389 -66.757 -4.41523 -4.0421 -66.1181 -5.83139 -92.5913 116.792 117.586 PRESSAVG: 1584000 -8.09275 45.8356 -45.9181 45.8355 -8.31113 -9.59595 -45.9179 -9.59583 28.3609 GPRESSAVG: 1584000 -7.22735 44.57 -45.4509 43.8211 -8.45099 -7.59767 -47.9423 -11.768 27.8514 TIMING: 1584000 CPU: 4728.68, 0.00302549/step Wall: 4728.68, 0.00302549/step, 2.87085 hours remaining, 207.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1584000 758.4265 2067.7752 1937.5598 111.8865 -206757.0372 17961.0074 0.0000 0.0000 34088.5582 -149831.8236 297.7039 -183920.3818 -149732.4995 297.4991 -11.8094 23.0356 556128.9210 3.9857 4.0577 PRESSURE: 1584200 -91.1325 73.8668 -152.458 73.8667 -66.8428 123.856 -152.458 123.855 3.18997 GPRESSURE: 1584200 -47.6871 139.03 -130.154 141.853 -66.8967 104.563 -104.695 132.051 50.5182 PRESSAVG: 1584200 -14.4127 34.2841 19.9123 34.2842 12.3282 18.5119 19.9123 18.5119 32.9174 GPRESSAVG: 1584200 -14.3366 35.4277 21.6414 35.0862 12.1389 17.9105 19.991 18.7762 33.2798 TIMING: 1584200 CPU: 4729.28, 0.00300009/step Wall: 4729.28, 0.00300009/step, 2.84659 hours remaining, 207.550781 MB of memory in use. ENERGY: 1584200 738.5885 2112.3682 1943.0431 124.8545 -206626.4518 17675.9869 0.0000 0.0000 34003.2828 -150028.3279 296.9591 -184031.6107 -149934.4381 297.3808 -51.5951 -21.3552 555117.2463 10.2777 10.3607 LDB: ============= START OF LOAD BALANCING ============== 4732.83 LDB: ============== END OF LOAD BALANCING =============== 4732.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4732.83 LDB: ============= START OF LOAD BALANCING ============== 4733.13 LDB: Largest compute 4772 load 0.028103 is 23.8% of average load 0.118097 LDB: Average compute 0.001731 is 1.5% of average load 0.118097 LDB: TIME 4733.13 LOAD: AVG 0.118097 MAX 0.208276 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.023 MB LDB: TIME 4733.13 LOAD: AVG 0.118097 MAX 0.208276 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: TIME 4733.13 LOAD: AVG 0.118097 MAX 0.208276 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4733.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4733.14 PRESSURE: 1584400 10.7832 71.8884 -154.272 71.8884 -38.8023 13.9798 -154.27 13.98 156.859 GPRESSURE: 1584400 46.3913 62.4389 -101.757 34.7685 -47.7093 -12.3605 -229.093 38.911 231.33 PRESSAVG: 1584400 10.14 32.773 -19.5316 32.7729 -11.4308 59.1026 -19.5316 59.1026 17.9169 GPRESSAVG: 1584400 8.9522 29.1603 -20.6413 31.3847 -11.0354 59.314 -19.7145 58.4343 19.0783 TIMING: 1584400 CPU: 4729.89, 0.00305491/step Wall: 4729.89, 0.00305491/step, 2.89843 hours remaining, 207.542969 MB of memory in use. ENERGY: 1584400 733.4628 2092.3808 1953.1761 130.2094 -206781.7850 17945.9305 0.0000 0.0000 34029.9942 -149896.6311 297.1924 -183926.6253 -149796.5486 297.1220 42.9468 76.6708 556279.1508 5.5420 5.6650 PRESSURE: 1584600 -215.672 183.129 -94.3476 183.129 -311.939 11.8413 -94.3479 11.8421 98.04 GPRESSURE: 1584600 -150.506 175.071 -72.7114 179.075 -273.155 52.9505 -91.3566 -62.3336 107.852 PRESSAVG: 1584600 -19.8063 37.1236 17.9623 37.1235 -43.288 -21.3044 17.9624 -21.3042 98.2211 GPRESSAVG: 1584600 -19.7408 39.8323 18.3807 39.5226 -42.1174 -22.7165 18.8008 -20.3382 97.4276 TIMING: 1584600 CPU: 4730.49, 0.00299236/step Wall: 4730.49, 0.00299236/step, 2.83892 hours remaining, 207.542969 MB of memory in use. ENERGY: 1584600 783.9266 2025.3229 1930.0840 105.7450 -206615.7529 17735.6427 0.0000 0.0000 34273.7298 -149761.3019 299.3210 -184035.0317 -149660.5239 297.7035 -143.1902 -105.2697 556681.0710 11.7089 11.8565 PRESSURE: 1584800 167.692 -99.4479 101.862 -99.4479 105.624 114.026 101.862 114.024 44.1011 GPRESSURE: 1584800 237.83 -47.1537 123.87 -91.5927 127.341 189.556 88.8709 61.0861 49.5117 PRESSAVG: 1584800 -18.5551 42.4997 3.13906 42.4997 61.3115 -1.39176 3.13905 -1.39181 -30.6934 GPRESSAVG: 1584800 -18.0736 40.9829 0.998233 41.938 60.3907 1.12116 5.44341 -4.71233 -30.207 TIMING: 1584800 CPU: 4731.08, 0.00298018/step Wall: 4731.08, 0.00298018/step, 2.8272 hours remaining, 207.542969 MB of memory in use. ENERGY: 1584800 735.2435 2046.3008 1929.2266 110.6850 -206565.9443 17866.1264 0.0000 0.0000 34223.0300 -149655.3320 298.8782 -183878.3620 -149562.3898 298.3472 105.8057 138.2276 555608.2465 4.0210 4.0367 PRESSURE: 1585000 -97.6824 87.0223 129.822 87.0221 46.8524 53.6623 129.821 53.6608 185.845 GPRESSURE: 1585000 -57.6531 103.173 129.381 36.0081 96.6582 16.5929 157.307 -12.1414 183.317 PRESSAVG: 1585000 -57.3462 -22.6498 -11.6906 -22.6499 42.0106 -13.4146 -11.6906 -13.4146 -11.0598 GPRESSAVG: 1585000 -57.3774 -21.9911 -8.72324 -24.2372 41.9198 -13.8948 -12.2832 -10.1399 -11.2516 TIMING: 1585000 CPU: 4731.68, 0.00297187/step Wall: 4731.68, 0.00297187/step, 2.81915 hours remaining, 207.542969 MB of memory in use. ENERGY: 1585000 744.4553 2085.6701 1902.4166 111.0749 -206876.7150 18002.2002 0.0000 0.0000 34298.6015 -149732.2964 299.5382 -184030.8979 -149635.5792 298.1187 45.0051 74.1074 556843.4741 -8.7985 -8.9031 PRESSURE: 1585200 -164.693 110.464 177.286 110.464 76.8344 90.0924 177.286 90.0917 -41.9694 GPRESSURE: 1585200 -105.629 114.926 113.461 187.423 168.544 143.678 217.851 125.562 -85.3791 PRESSAVG: 1585200 -43.6619 -71.7319 10.8865 -71.7318 86.9084 31.7142 10.8864 31.7142 -1.31596 GPRESSAVG: 1585200 -43.1079 -70.0314 7.80055 -71.5993 87.1338 31.5552 14.0198 31.2971 -1.76897 TIMING: 1585200 CPU: 4732.27, 0.00296509/step Wall: 4732.27, 0.00296509/step, 2.81255 hours remaining, 207.542969 MB of memory in use. ENERGY: 1585200 750.9086 2083.1323 1912.2580 116.1516 -206459.4237 17814.9010 0.0000 0.0000 34073.4255 -149708.6466 297.5717 -183782.0721 -149614.8900 298.0877 -43.2759 -7.4880 556042.1620 13.9768 14.0856 PRESSURE: 1585400 -49.7317 48.142 13.263 48.1421 283.502 51.0741 13.2631 51.0732 65.4711 GPRESSURE: 1585400 -3.7007 46.7757 18.8847 42.9323 273.054 -34.0836 -45.7412 162.861 133.588 PRESSAVG: 1585400 -34.7051 14.6034 12.9532 14.6033 31.2001 3.33701 12.9531 3.33707 19.4819 GPRESSAVG: 1585400 -34.9956 13.5608 16.8632 16.6286 31.2672 3.01635 8.92883 1.68799 19.7624 TIMING: 1585400 CPU: 4732.87, 0.00298875/step Wall: 4732.87, 0.00298875/step, 2.83483 hours remaining, 207.542969 MB of memory in use. ENERGY: 1585400 771.4416 2080.6187 1947.7101 113.8754 -206632.0360 17907.4222 0.0000 0.0000 34348.9041 -149462.0639 299.9775 -183810.9680 -149371.0849 298.5673 99.7470 134.3136 555131.5096 5.3256 5.3447 PRESSURE: 1585600 -149.582 134.681 -35.0237 134.683 -156.765 -192.613 -35.0223 -192.614 157.357 GPRESSURE: 1585600 -99.23 122.752 82.6671 104.404 -181.038 -113.708 -117.963 -156.723 228.304 PRESSAVG: 1585600 -51.8446 22.703 24.2382 22.7029 -13.0876 13.8913 24.2382 13.8913 52.5098 GPRESSAVG: 1585600 -52.1437 23.573 24.5716 20.8394 -13.1204 13.7666 24.7263 14.4359 53.2081 TIMING: 1585600 CPU: 4733.47, 0.00299044/step Wall: 4733.47, 0.00299044/step, 2.83626 hours remaining, 207.542969 MB of memory in use. ENERGY: 1585600 762.8150 2056.8310 1914.8269 106.4635 -206197.2553 17742.3655 0.0000 0.0000 34143.8891 -149470.0642 298.1871 -183613.9533 -149370.2930 298.5776 -49.6632 -17.3213 557570.4505 -4.1408 -4.0187 PRESSURE: 1585800 -47.6933 9.60078 239.095 9.60007 -296.429 -79.6358 239.093 -79.6372 -170.935 GPRESSURE: 1585800 -96.3323 9.23678 203.628 -3.12829 -265.173 -23.5592 175.923 -53.5792 -63.9452 PRESSAVG: 1585800 57.8402 44.5742 14.0032 44.5743 -36.5592 -19.0849 14.0032 -19.0849 32.9702 GPRESSAVG: 1585800 57.0453 41.978 12.4758 48.4495 -35.935 -18.4949 13.2645 -17.7568 32.7337 TIMING: 1585800 CPU: 4734.07, 0.00299559/step Wall: 4734.07, 0.00299559/step, 2.84098 hours remaining, 207.542969 MB of memory in use. ENERGY: 1585800 747.5688 2105.3607 1931.0303 105.3364 -206339.5570 17640.7254 0.0000 0.0000 34222.5303 -149587.0051 298.8739 -183809.5354 -149487.6396 297.8947 -171.6860 -141.8167 557559.2507 18.0837 17.9480 PRESSURE: 1586000 -75.6412 -50.9059 -35.3618 -50.9058 -219.715 -64.5467 -35.3614 -64.5465 -73.5234 GPRESSURE: 1586000 -71.8751 -38.8144 -15.2692 -117.474 -168.099 -123.805 -98.9521 -21.6993 -30.9713 PRESSAVG: 1586000 47.9324 30.1489 18.4287 30.149 -65.6593 -31.3126 18.4288 -31.3125 42.8226 GPRESSAVG: 1586000 49.1239 30.2208 18.7918 29.087 -66.7031 -32.1014 19.3017 -32.2744 42.2868 TIMING: 1586000 CPU: 4734.66, 0.00297905/step Wall: 4734.66, 0.00297905/step, 2.82513 hours remaining, 207.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1586000 733.2129 2063.7154 1948.4149 116.3070 -206512.4990 17727.2334 0.0000 0.0000 34348.9491 -149574.6663 299.9779 -183923.6155 -149474.9253 298.6961 -122.9598 -90.3153 555462.6932 8.3652 8.2359 PRESSURE: 1586200 190.367 79.9829 -81.5645 79.9839 -304.621 34.9214 -81.5637 34.9227 58.2483 GPRESSURE: 1586200 221.767 70.9563 -37.7991 106.768 -245.458 99.7278 -160.869 -103.067 67.3998 PRESSAVG: 1586200 14.0516 -1.34972 34.3529 -1.34976 -76.7324 -9.10435 34.353 -9.10432 113.31 GPRESSAVG: 1586200 14.2377 -0.198412 31.3531 -3.39159 -75.7829 -8.28027 36.9246 -11.4429 112.848 TIMING: 1586200 CPU: 4735.26, 0.00299544/step Wall: 4735.26, 0.00299544/step, 2.84051 hours remaining, 207.542969 MB of memory in use. ENERGY: 1586200 710.8029 2084.8745 1918.1294 116.1818 -206248.1689 17639.6010 0.0000 0.0000 34047.9819 -149730.5974 297.3495 -183778.5793 -149639.0481 298.5464 -18.6686 14.5697 556873.7705 16.8763 17.1008 PRESSURE: 1586400 238.753 -146.266 35.7653 -146.265 -221.689 -19.3177 35.7647 -19.319 256.707 GPRESSURE: 1586400 269.7 -145.525 -51.3987 -73.8315 -202.236 -72.974 -9.95505 -31.9966 287.48 PRESSAVG: 1586400 -9.80133 42.3136 -13.5452 42.3135 -71.4059 -52.1126 -13.5452 -52.1125 75.9451 GPRESSAVG: 1586400 -10.746 41.8436 -8.8002 42.7871 -70.597 -52.9355 -17.6806 -50.1261 75.8717 TIMING: 1586400 CPU: 4735.86, 0.00299411/step Wall: 4735.86, 0.00299411/step, 2.83909 hours remaining, 207.542969 MB of memory in use. ENERGY: 1586400 703.6310 2120.5186 1920.2644 105.9539 -206583.6822 17967.4343 0.0000 0.0000 34065.4712 -149700.4089 297.5022 -183765.8802 -149608.4677 297.6331 91.2570 118.3147 557232.2760 -1.7541 -1.8238 PRESSURE: 1586600 8.84652 215.048 1.53666 215.048 -43.4493 -45.5667 1.53693 -45.5679 43.5853 GPRESSURE: 1586600 27.165 282.322 -59.1318 211.094 -4.02888 -60.2445 -25.1232 -106.292 103.283 PRESSAVG: 1586600 4.33531 15.4564 27.6291 15.4563 -21.3969 -23.1201 27.629 -23.1201 16.523 GPRESSAVG: 1586600 4.98199 14.9194 25.6621 14.9857 -22.6967 -23.6688 29.6013 -22.4301 17.4886 TIMING: 1586600 CPU: 4736.46, 0.00299905/step Wall: 4736.46, 0.00299905/step, 2.8436 hours remaining, 207.542969 MB of memory in use. ENERGY: 1586600 759.2143 2055.0571 1936.5178 119.0922 -206565.4246 17824.0369 0.0000 0.0000 34169.0137 -149702.4925 298.4065 -183871.5062 -149603.2612 297.9857 2.9942 42.1397 557175.6095 -0.1795 -0.0754 PRESSURE: 1586800 -118.998 100.554 -32.5157 100.554 -304.975 20.8379 -32.5157 20.8385 -141.29 GPRESSURE: 1586800 -87.6247 40.6554 -43.6589 87.3709 -183.029 -8.12967 20.1395 77.2792 -198.034 PRESSAVG: 1586800 -7.15204 57.8286 -15.1088 57.8286 -15.8911 -5.7507 -15.1088 -5.75065 -0.449232 GPRESSAVG: 1586800 -6.90229 57.6023 -13.8292 60.2848 -14.735 -4.78644 -18.5137 -5.4591 -2.32146 TIMING: 1586800 CPU: 4737.06, 0.00300309/step Wall: 4737.06, 0.00300309/step, 2.84726 hours remaining, 207.542969 MB of memory in use. ENERGY: 1586800 761.0763 2039.2523 1922.5590 102.3906 -206234.3890 17634.3997 0.0000 0.0000 34345.4488 -149429.2622 299.9473 -183774.7110 -149329.5318 298.0088 -188.4208 -156.2291 557975.8005 -7.8308 -7.9862 PRESSURE: 1587000 -209.232 -79.0706 -216.503 -79.0706 -4.6208 2.03492 -216.504 2.0333 -113.033 GPRESSURE: 1587000 -182.366 -133.546 -258.242 -185.421 8.9198 -44.627 -144.79 46.1948 -62.634 PRESSAVG: 1587000 36.4329 -64.2237 -27.3281 -64.2238 -24.6711 -14.1436 -27.3283 -14.1436 -0.0256548 GPRESSAVG: 1587000 36.7966 -63.7225 -27.8998 -67.7533 -25.7688 -13.6718 -27.6947 -14.6229 0.568592 TIMING: 1587000 CPU: 4737.66, 0.00300469/step Wall: 4737.66, 0.00300469/step, 2.84861 hours remaining, 207.542969 MB of memory in use. ENERGY: 1587000 740.8191 2043.2552 1931.5062 103.4510 -206436.5063 17818.7691 0.0000 0.0000 34228.7055 -149570.0002 298.9278 -183798.7057 -149466.1841 297.9258 -108.9618 -78.6932 559628.1200 3.9121 3.8654 PRESSURE: 1587200 -273.342 -98.654 -114.977 -98.6544 -8.44287 -21.3502 -114.977 -21.3503 -206.467 GPRESSURE: 1587200 -225.249 -143.251 -93.6641 -14.5321 -17.7429 -11.2214 -9.70961 -22.8989 -137.824 PRESSAVG: 1587200 0.047003 -35.1891 -23.8002 -35.189 -46.3874 45.711 -23.8002 45.711 2.50057 GPRESSAVG: 1587200 -0.370597 -34.5112 -24.3062 -32.5034 -45.6915 44.3704 -19.9621 46.3263 2.84134 TIMING: 1587200 CPU: 4738.26, 0.00299005/step Wall: 4738.26, 0.00299005/step, 2.83457 hours remaining, 207.542969 MB of memory in use. ENERGY: 1587200 729.7761 2140.1545 1952.4202 112.8239 -206549.2061 17841.0245 0.0000 0.0000 34193.5866 -149579.4203 298.6211 -183773.0068 -149487.6576 298.4328 -162.7506 -126.9385 557582.3428 -14.6133 -14.4069 PRESSURE: 1587400 -269.585 -59.6682 -111.336 -59.6687 -251.899 103.203 -111.336 103.203 97.4432 GPRESSURE: 1587400 -288.049 -1.72511 -130.832 -131.98 -174.037 166.662 -40.5221 95.8067 134.739 PRESSAVG: 1587400 -70.4064 -40.3731 -101.208 -40.3731 40.0484 -17.1283 -101.208 -17.1283 23.0574 GPRESSAVG: 1587400 -70.41 -40.7617 -101.271 -41.8226 39.0751 -13.3425 -102.372 -19.5707 24.0283 TIMING: 1587400 CPU: 4738.86, 0.00299652/step Wall: 4738.86, 0.00299652/step, 2.84053 hours remaining, 207.542969 MB of memory in use. ENERGY: 1587400 759.8964 2073.9839 1929.8441 105.9516 -206261.7470 17706.8738 0.0000 0.0000 34232.6321 -149452.5651 298.9621 -183685.1972 -149351.4983 298.2352 -141.3469 -109.1156 558501.6300 -2.4335 -2.4355 PRESSURE: 1587600 -92.9761 -29.4932 -87.5743 -29.4924 60.5046 -3.70421 -87.5756 -3.70322 164.543 GPRESSURE: 1587600 -72.6276 -11.0594 -168.291 -4.76409 148.442 -65.3589 -60.0618 8.86139 154.774 PRESSAVG: 1587600 22.9311 -15.6328 -29.3352 -15.6328 -32.7014 50.5903 -29.3353 50.5902 15.1319 GPRESSAVG: 1587600 22.3066 -15.6357 -27.9687 -14.5533 -31.3256 46.3373 -29.994 51.942 14.7821 TIMING: 1587600 CPU: 4739.46, 0.00301452/step Wall: 4739.46, 0.00301452/step, 2.85743 hours remaining, 207.542969 MB of memory in use. ENERGY: 1587600 726.7967 2080.1100 1935.2698 117.1396 -206877.0773 18164.3962 0.0000 0.0000 34348.6323 -149504.7327 299.9751 -183853.3650 -149407.3978 299.0195 44.0237 76.8626 559168.9859 1.7872 1.9210 PRESSURE: 1587800 -50.6937 -133.916 -10.328 -133.916 -143.015 -79.7208 -10.3275 -79.7197 168.367 GPRESSURE: 1587800 1.29134 -66.876 -30.8871 -144.64 -155.083 -2.08833 -15.1136 -105.782 243.635 PRESSAVG: 1587800 -14.4714 11.7917 -53.6701 11.7917 -25.7693 67.6418 -53.6701 67.6417 6.54856 GPRESSAVG: 1587800 -13.7398 11.22 -54.0729 12.2402 -25.2405 67.2814 -51.8068 69.2478 5.692 TIMING: 1587800 CPU: 4740.06, 0.00299972/step Wall: 4740.06, 0.00299972/step, 2.84323 hours remaining, 207.542969 MB of memory in use. ENERGY: 1587800 760.0131 2123.3148 1952.6476 107.6193 -206554.8477 17887.1199 0.0000 0.0000 34202.5790 -149521.5539 298.6996 -183724.1329 -149425.7572 298.6865 -8.4471 29.9477 556569.3922 -11.2307 -11.0961 PRESSURE: 1588000 5.76547 -50.142 -95.2599 -50.143 -131.22 71.3961 -95.2583 71.3964 16.9807 GPRESSURE: 1588000 29.2628 -17.7607 -163.91 -112.041 -77.8224 31.9761 -58.3028 137.096 51.0228 PRESSAVG: 1588000 49.1496 -37.6806 77.7409 -37.6805 -31.394 25.9922 77.741 25.9923 -14.7098 GPRESSAVG: 1588000 48.2066 -37.5388 75.9909 -39.0477 -31.5625 26.9767 76.9411 23.9597 -13.7372 TIMING: 1588000 CPU: 4740.66, 0.00298804/step Wall: 4740.66, 0.00298804/step, 2.832 hours remaining, 207.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1588000 756.5253 2105.4057 1894.9884 109.6124 -206647.2519 17800.7056 0.0000 0.0000 34420.8243 -149559.1903 300.6056 -183980.0146 -149465.4764 298.5344 -36.1578 0.8210 555785.7456 1.0153 0.9689 PRESSURE: 1588200 87.4073 -113.41 58.1067 -113.409 -183.405 32.503 58.1066 32.5024 -13.1773 GPRESSURE: 1588200 85.5944 -35.0832 11.2352 -158.214 -145.493 88.8301 72.6436 16.4156 40.6347 PRESSAVG: 1588200 2.49264 -30.4922 45.4237 -30.4922 -58.6579 53.9844 45.4236 53.9845 68.2816 GPRESSAVG: 1588200 2.61046 -28.88 46.1387 -30.2574 -58.3434 53.2035 44.2303 54.5925 67.5671 TIMING: 1588200 CPU: 4741.26, 0.00299349/step Wall: 4741.26, 0.00299349/step, 2.83699 hours remaining, 207.542969 MB of memory in use. ENERGY: 1588200 704.6384 2105.4448 1935.3290 113.7723 -206302.6949 17632.6510 0.0000 0.0000 34099.6266 -149711.2328 297.8005 -183810.8594 -149609.6086 298.3406 -36.3918 -6.4214 556822.9132 4.0388 3.9447 LDB: ============= START OF LOAD BALANCING ============== 4744.81 LDB: ============== END OF LOAD BALANCING =============== 4744.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4744.81 LDB: ============= START OF LOAD BALANCING ============== 4745.11 LDB: Largest compute 4772 load 0.028927 is 24.5% of average load 0.118163 LDB: Average compute 0.001733 is 1.5% of average load 0.118163 LDB: TIME 4745.11 LOAD: AVG 0.118163 MAX 0.209756 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.121 MB LDB: TIME 4745.11 LOAD: AVG 0.118163 MAX 0.209756 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.125 MB LDB: TIME 4745.11 LOAD: AVG 0.118163 MAX 0.209756 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.125 MB LDB: ============== END OF LOAD BALANCING =============== 4745.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4745.12 PRESSURE: 1588400 123.946 0.267483 188.46 0.26914 -59.1171 213.645 188.461 213.644 -28.9778 GPRESSURE: 1588400 185.197 7.81409 161.309 -70.6283 21.7391 150.758 249.643 246.996 -66.2564 PRESSAVG: 1588400 -98.8982 22.5569 94.4552 22.5569 -34.6569 4.9345 94.4552 4.93435 106.898 GPRESSAVG: 1588400 -98.3228 20.7083 95.7242 23.8469 -35.4584 8.30233 98.475 3.42555 107.088 TIMING: 1588400 CPU: 4741.87, 0.00306605/step Wall: 4741.87, 0.00306605/step, 2.90559 hours remaining, 207.027344 MB of memory in use. ENERGY: 1588400 761.9574 2060.5824 1950.9538 112.3794 -206310.2462 17742.9485 0.0000 0.0000 34034.1329 -149647.2918 297.2285 -183681.4247 -149542.2567 298.0913 11.9502 46.8931 557536.2171 -8.8857 -8.8976 PRESSURE: 1588600 90.6386 -115.759 198.145 -115.76 -121.856 81.5532 198.146 81.553 -222.119 GPRESSURE: 1588600 115.536 -39.6193 198.585 -99.3511 -18.6135 75.7347 211.274 87.4435 -240.019 PRESSAVG: 1588600 22.2821 -1.39299 58.7804 -1.3929 -35.3259 44.9747 58.7803 44.9745 -30.3371 GPRESSAVG: 1588600 22.6174 -1.60191 56.8215 -3.17043 -34.4146 41.5033 55.6265 47.2961 -31.3935 TIMING: 1588600 CPU: 4742.47, 0.00299456/step Wall: 4742.47, 0.00299456/step, 2.83768 hours remaining, 207.027344 MB of memory in use. ENERGY: 1588600 766.3311 2042.2594 1944.0260 108.1509 -206360.5554 17727.1305 0.0000 0.0000 34283.9327 -149488.7247 299.4101 -183772.6575 -149382.0805 298.6299 -84.4454 -47.6988 557571.2006 -14.4603 -14.3969 PRESSURE: 1588800 -122.71 -0.595724 -14.2265 -0.59591 19.9462 55.9811 -14.2266 55.9813 -198.036 GPRESSURE: 1588800 -11.0807 -121.138 72.1168 49.5529 -1.83289 31.152 -10.8974 6.14103 -183.273 PRESSAVG: 1588800 40.5093 -64.1965 39.9692 -64.1965 4.9661 -49.7751 39.9693 -49.7751 -22.4385 GPRESSAVG: 1588800 40.8203 -64.2999 41.3552 -63.863 4.11902 -47.818 41.4972 -49.5233 -21.4922 TIMING: 1588800 CPU: 4743.07, 0.00298851/step Wall: 4743.07, 0.00298851/step, 2.83178 hours remaining, 207.027344 MB of memory in use. ENERGY: 1588800 756.2229 2097.4301 1959.8474 118.8582 -206331.6607 17683.0274 0.0000 0.0000 34369.6946 -149346.5801 300.1591 -183716.2747 -149249.9977 299.3230 -100.2664 -65.3956 557991.5284 7.6790 7.8157 PRESSURE: 1589000 30.2996 140.51 19.5429 140.509 -113.944 112.949 19.5429 112.946 -223.48 GPRESSURE: 1589000 70.304 140.954 -44.1559 121.086 -102.96 117.883 22.6756 111.428 -177.521 PRESSAVG: 1589000 -23.231 -13.5323 10.2206 -13.5323 74.2589 34.8204 10.2206 34.8204 -9.48106 GPRESSAVG: 1589000 -23.2862 -11.8251 8.09967 -13.0463 74.6577 31.6806 9.19201 33.7301 -9.06273 TIMING: 1589000 CPU: 4743.67, 0.00299482/step Wall: 4743.67, 0.00299482/step, 2.8376 hours remaining, 207.027344 MB of memory in use. ENERGY: 1589000 750.2383 2039.8244 1964.7448 106.6135 -205993.6761 17636.0998 0.0000 0.0000 34339.3829 -149156.7725 299.8944 -183496.1553 -149058.9966 299.6444 -102.3747 -70.0590 558810.4283 13.8489 14.1029 PRESSURE: 1589200 -248.439 -68.2428 118.586 -68.2434 157.844 94.3041 118.587 94.3014 -241.664 GPRESSURE: 1589200 -173.25 -64.2407 74.8211 -88.7113 128.377 81.7818 100.688 147.304 -199.009 PRESSAVG: 1589200 -26.4762 -4.24546 25.355 -4.24535 -11.2434 9.54345 25.355 9.54354 34.3195 GPRESSAVG: 1589200 -26.4301 -4.35926 28.1653 -6.27517 -12.0525 13.62 25.7716 8.48898 34.5939 TIMING: 1589200 CPU: 4744.27, 0.00302081/step Wall: 4744.27, 0.00302081/step, 2.86205 hours remaining, 207.027344 MB of memory in use. ENERGY: 1589200 718.3827 2060.9931 1989.2846 115.5157 -206019.3819 17692.4383 0.0000 0.0000 34223.5241 -149219.2434 298.8825 -183442.7676 -149118.4063 299.1838 -110.7530 -81.2943 558840.1538 -1.1334 -1.2963 PRESSURE: 1589400 -74.2729 -62.539 95.6263 -62.5382 54.9683 191.674 95.6266 191.677 -139.148 GPRESSURE: 1589400 -39.728 -48.0371 128.277 -110.814 128.81 121.719 113.876 158.181 -163.248 PRESSAVG: 1589400 -40.5225 12.3068 27.1351 12.3068 51.1377 56.6696 27.1353 56.6697 0.996784 GPRESSAVG: 1589400 -40.7114 13.7009 24.1719 12.2666 52.5128 54.2356 28.6048 57.37 -0.361729 TIMING: 1589400 CPU: 4744.88, 0.00303911/step Wall: 4744.88, 0.00303911/step, 2.87922 hours remaining, 207.027344 MB of memory in use. ENERGY: 1589400 757.2226 2076.1037 1974.3081 116.4470 -205929.8279 17749.1667 0.0000 0.0000 34121.6162 -149134.9636 297.9926 -183256.5798 -149042.2121 298.9446 -52.8176 -24.7218 558216.2841 3.8707 3.8132 PRESSURE: 1589600 101.788 54.2001 34.0231 54.199 296.502 -173.536 34.0229 -173.536 111.609 GPRESSURE: 1589600 128.889 91.4328 -5.32998 -7.93351 341.167 -103.317 41.9166 -194.623 132.734 PRESSAVG: 1589600 -23.3811 -1.62271 61.7337 -1.6227 40.4448 6.55577 61.7337 6.55591 1.34137 GPRESSAVG: 1589600 -23.784 -1.60621 63.8913 -1.0983 40.2112 6.55264 59.7116 6.88621 1.85706 TIMING: 1589600 CPU: 4745.48, 0.00302012/step Wall: 4745.48, 0.00302012/step, 2.86106 hours remaining, 207.027344 MB of memory in use. ENERGY: 1589600 760.7712 2069.3196 1932.1068 110.6004 -206353.6983 17980.4253 0.0000 0.0000 34327.3673 -149173.1076 299.7894 -183500.4749 -149080.4319 299.4607 169.9662 200.9301 556878.3907 6.1350 6.0948 PRESSURE: 1589800 229.324 -20.0918 7.46726 -20.0907 38.3269 34.7516 7.46609 34.7528 -94.5682 GPRESSURE: 1589800 216.637 -7.71203 26.1115 7.65945 120.256 -8.34876 51.4151 -13.2869 -67.6405 PRESSAVG: 1589800 36.5803 12.4192 -57.0872 12.4192 -8.01934 -0.6529 -57.0873 -0.653106 -20.7619 GPRESSAVG: 1589800 37.3643 9.94254 -57.9082 13.5809 -8.28146 -1.04567 -55.8812 -0.73627 -20.9835 TIMING: 1589800 CPU: 4746.08, 0.0029729/step Wall: 4746.08, 0.0029729/step, 2.81616 hours remaining, 207.027344 MB of memory in use. ENERGY: 1589800 760.3294 2123.0767 1925.0197 103.6278 -206468.5942 18079.5794 0.0000 0.0000 34460.9163 -149016.0449 300.9558 -183476.9612 -148918.4680 299.5373 57.6942 89.7506 557343.8749 2.5997 2.6998 PRESSURE: 1590000 -35.0429 76.1772 -102.008 76.1763 -62.8994 90.9713 -102.007 90.9707 -93.6541 GPRESSURE: 1590000 -47.0883 68.4429 -50.1372 73.7543 -1.65042 137.882 -137.149 48.6515 -34.1439 PRESSAVG: 1590000 36.9769 25.2659 -6.62711 25.2659 -20.4472 26.899 -6.62715 26.899 -25.0202 GPRESSAVG: 1590000 36.3924 27.7523 -6.06446 23.5931 -19.6589 28.103 -7.02546 26.4758 -24.8168 TIMING: 1590000 CPU: 4746.67, 0.00297811/step Wall: 4746.67, 0.00297811/step, 2.82093 hours remaining, 207.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1590000 752.3749 2066.7832 1930.8608 100.9835 -205846.2191 17666.0556 0.0000 0.0000 34198.7873 -149130.3738 298.6665 -183329.1611 -149035.3069 300.0538 -63.8655 -27.6276 555408.5247 -2.8302 -2.6944 PRESSURE: 1590200 -177.393 42.582 89.44 42.5819 -56.6272 -137.45 89.4405 -137.45 -87.5026 GPRESSURE: 1590200 -165.51 60.3002 70.517 0.162595 -41.9841 -129.115 140.553 -120.251 -19.2404 PRESSAVG: 1590200 17.8273 21.2809 -36.3745 21.2809 27.2989 -24.9699 -36.3745 -24.97 -57.8275 GPRESSAVG: 1590200 18.0776 19.4258 -36.6327 23.4501 26.0278 -26.8467 -36.3771 -23.5308 -56.7772 TIMING: 1590200 CPU: 4747.27, 0.00297899/step Wall: 4747.27, 0.00297899/step, 2.8216 hours remaining, 207.027344 MB of memory in use. ENERGY: 1590200 734.8131 2028.0353 1932.8352 122.7450 -205943.5117 17553.9808 0.0000 0.0000 34570.1337 -149000.9685 301.9096 -183571.1023 -148893.5634 299.5415 -107.1741 -75.5781 556760.5532 -4.2338 -4.2240 PRESSURE: 1590400 -174.301 146.208 -35.1242 146.209 97.9527 -15.4303 -35.124 -15.4306 -216.966 GPRESSURE: 1590400 -91.8874 150.03 -64.2783 112.411 114.509 -28.3149 -58.8543 -23.6827 -207.977 PRESSAVG: 1590400 -21.5835 15.7787 -0.885684 15.7787 -36.4004 -5.61734 -0.88565 -5.61727 58.9995 GPRESSAVG: 1590400 -20.3203 17.5559 -1.55635 15.7871 -36.8525 -3.1485 -0.841563 -6.85155 58.6015 TIMING: 1590400 CPU: 4747.87, 0.00299815/step Wall: 4747.87, 0.00299815/step, 2.83959 hours remaining, 207.226562 MB of memory in use. ENERGY: 1590400 765.0012 2023.9121 1954.0767 109.0722 -205765.0246 17698.0335 0.0000 0.0000 34211.3907 -149003.5383 298.7766 -183214.9289 -148901.0607 299.3816 -97.7714 -61.7851 558097.8571 0.3386 0.4762 PRESSURE: 1590600 -196.876 -34.9399 43.465 -34.94 -185.248 16.1058 43.4647 16.1055 37.25 GPRESSURE: 1590600 -166.042 -61.1358 49.0044 -30.4718 -156.049 -25.4726 29.4735 -29.5635 60.2301 PRESSAVG: 1590600 3.88179 23.1955 15.4174 23.1955 -3.88007 23.6316 15.4175 23.6317 -8.46421 GPRESSAVG: 1590600 3.45472 22.121 18.1415 22.5664 -2.32481 22.1408 13.4248 23.916 -9.55655 TIMING: 1590600 CPU: 4748.47, 0.00300248/step Wall: 4748.47, 0.00300248/step, 2.84352 hours remaining, 207.425781 MB of memory in use. ENERGY: 1590600 720.2945 2079.2492 1925.0793 106.8948 -205679.2852 17551.1034 0.0000 0.0000 34241.0265 -149055.6376 299.0354 -183296.6641 -148951.3278 298.9542 -114.9578 -87.2868 557803.4499 -2.8208 -2.8089 PRESSURE: 1590800 117.4 -5.45511 -75.4399 -5.45547 157.311 -97.5058 -75.44 -97.5059 -40.2001 GPRESSURE: 1590800 118.397 -22.1642 -72.2282 51.3994 187.999 -54.5719 -62.4922 -169.497 37.8325 PRESSAVG: 1590800 -39.33 1.19038 42.5798 1.19037 21.9269 -3.3531 42.5798 -3.35303 27.2887 GPRESSAVG: 1590800 -40.9668 1.17439 40.7561 1.83715 21.358 -5.05994 43.8591 -2.46379 29.2951 TIMING: 1590800 CPU: 4749.07, 0.00299758/step Wall: 4749.07, 0.00299758/step, 2.83871 hours remaining, 207.425781 MB of memory in use. ENERGY: 1590800 736.2882 2075.0024 1947.5550 120.0225 -206253.1092 17848.7589 0.0000 0.0000 34387.5787 -149137.9034 300.3153 -183525.4821 -149043.5521 299.5559 78.1706 114.7428 557203.4171 3.2952 3.2288 PRESSURE: 1591000 -64.6663 -48.7844 -61.7464 -48.7843 -35.7114 -137.048 -61.7467 -137.047 39.2897 GPRESSURE: 1591000 -7.3636 -34.2428 -82.8056 -146.058 -53.6432 -138.349 -115.666 -95.6746 91.5946 PRESSAVG: 1591000 -31.5922 -28.7707 27.1194 -28.7708 42.4084 -8.24526 27.1195 -8.24523 -5.38166 GPRESSAVG: 1591000 -32.928 -26.6 27.6313 -31.6897 43.2751 -7.50619 26.0838 -8.19678 -5.2665 TIMING: 1591000 CPU: 4749.67, 0.00301401/step Wall: 4749.67, 0.00301401/step, 2.8541 hours remaining, 207.425781 MB of memory in use. ENERGY: 1591000 720.7110 2063.7951 1912.4039 102.0286 -205868.7611 17645.7199 0.0000 0.0000 34320.5425 -149103.5601 299.7298 -183424.1026 -149003.5136 299.9373 -20.3627 10.1959 558443.3329 1.8115 1.6935 PRESSURE: 1591200 -77.4182 17.1438 96.7594 17.1434 -212.958 -16.2635 96.7597 -16.2645 -158.065 GPRESSURE: 1591200 -25.6585 -41.3009 103.895 -4.79067 -200.816 -0.980161 40.0221 -83.5458 -123.833 PRESSAVG: 1591200 48.0135 -17.6747 4.41534 -17.6746 40.9145 -67.0391 4.41535 -67.0391 -55.1566 GPRESSAVG: 1591200 49.7727 -19.7015 3.25419 -14.7135 39.2701 -67.6977 5.63453 -67.5149 -55.3112 TIMING: 1591200 CPU: 4750.27, 0.00299177/step Wall: 4750.27, 0.00299177/step, 2.83288 hours remaining, 207.425781 MB of memory in use. ENERGY: 1591200 747.2973 2083.2606 1944.3979 99.8776 -205777.1529 17597.0144 0.0000 0.0000 34274.6707 -149030.6345 299.3292 -183305.3052 -148942.5109 300.0458 -149.4807 -116.7693 557506.3283 11.2571 11.2439 PRESSURE: 1591400 30.44 -115.97 -52.7625 -115.971 -272.638 46.4914 -52.7629 46.4912 -115.49 GPRESSURE: 1591400 82.5619 -166.962 -17.9542 -83.8139 -257.121 29.6341 -112.197 57.2594 -89.7479 PRESSAVG: 1591400 76.0965 -12.4433 -24.7878 -12.4433 10.8165 -73.6019 -24.7878 -73.602 -53.7919 GPRESSAVG: 1591400 75.3651 -12.0734 -23.8603 -14.967 11.7588 -72.8008 -26.0217 -73.0255 -54.3415 TIMING: 1591400 CPU: 4750.87, 0.00301131/step Wall: 4750.87, 0.00301131/step, 2.85121 hours remaining, 207.425781 MB of memory in use. ENERGY: 1591400 728.6366 2078.2760 1951.9576 111.3422 -205724.2270 17578.5300 0.0000 0.0000 34316.9233 -148958.5614 299.6982 -183275.4846 -148857.6900 300.0841 -119.2292 -88.1024 559056.0348 11.0403 10.9275 PRESSURE: 1591600 37.0685 69.698 -41.7862 69.6995 -277.508 23.6192 -41.7851 23.6208 -94.5963 GPRESSURE: 1591600 25.4142 60.9682 -41.0235 85.6438 -228.144 -88.4871 -19.0967 127.8 -39.6164 PRESSAVG: 1591600 54.991 26.4146 -45.0048 26.4147 -27.8543 -20.8538 -45.0047 -20.8538 -47.3592 GPRESSAVG: 1591600 56.1617 24.6223 -47.0436 28.5915 -28.2598 -19.1785 -43.9668 -22.7095 -48.2988 TIMING: 1591600 CPU: 4751.47, 0.00299606/step Wall: 4751.47, 0.00299606/step, 2.83661 hours remaining, 207.425781 MB of memory in use. ENERGY: 1591600 739.2718 2016.2812 1965.0440 114.9524 -205839.6129 17638.3211 0.0000 0.0000 34309.8337 -149055.9087 299.6363 -183365.7425 -148953.4070 299.6239 -111.6786 -80.7821 558140.0077 -6.7408 -6.7990 PRESSURE: 1591800 13.1468 157.401 -252.097 157.4 -213.258 32.2789 -252.096 32.2799 24.8901 GPRESSURE: 1591800 79.3208 169.662 -311.919 82.1609 -144.555 13.6896 -205.336 25.9767 -7.96852 PRESSAVG: 1591800 6.83153 25.2497 -18.1914 25.2497 -10.7677 -59.7342 -18.1913 -59.7343 13.4369 GPRESSAVG: 1591800 5.20467 26.5043 -16.8894 22.2621 -9.81677 -60.7848 -18.3749 -57.567 14.1544 TIMING: 1591800 CPU: 4752.07, 0.00300266/step Wall: 4752.07, 0.00300266/step, 2.84268 hours remaining, 207.425781 MB of memory in use. ENERGY: 1591800 735.9444 2048.9781 1924.5442 113.3722 -205716.0111 17681.5220 0.0000 0.0000 34185.0180 -149026.6321 298.5463 -183211.6501 -148931.4658 299.3234 -58.4069 -24.4009 557727.4435 3.1669 3.1808 PRESSURE: 1592000 210.017 69.2984 -101.403 69.2984 91.3002 5.66747 -101.404 5.66829 -188.738 GPRESSURE: 1592000 175.804 137.568 -54.4719 44.911 167.504 -14.0737 -126.581 7.88091 -145.437 PRESSAVG: 1592000 25.9206 -10.7646 -37.2183 -10.7646 -41.0138 -7.54537 -37.2183 -7.54538 29.3388 GPRESSAVG: 1592000 26.079 -12.2121 -35.2014 -8.73002 -42.0992 -7.55843 -38.9783 -9.93816 30.6201 TIMING: 1592000 CPU: 4752.67, 0.00300275/step Wall: 4752.67, 0.00300275/step, 2.84261 hours remaining, 207.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1592000 749.0624 2078.2232 1961.7634 113.1859 -206202.9209 17965.0157 0.0000 0.0000 34307.8218 -149027.8485 299.6187 -183335.6703 -148935.1529 300.4855 37.5266 65.9566 557704.2798 4.7486 4.8666 PRESSURE: 1592200 9.6483 -78.2853 32.3405 -78.2862 85.8628 39.3165 32.3416 39.3159 -28.0648 GPRESSURE: 1592200 36.4604 -65.9546 1.54263 -4.93398 99.0459 11.019 74.3348 106.639 31.43 PRESSAVG: 1592200 -6.81163 5.52879 -19.1666 5.52879 -51.9847 -11.0497 -19.1665 -11.0497 37.8643 GPRESSAVG: 1592200 -5.89082 7.96163 -20.7624 5.5749 -50.843 -11.5053 -18.7678 -8.87962 35.7324 TIMING: 1592200 CPU: 4753.27, 0.00300405/step Wall: 4753.27, 0.00300405/step, 2.84367 hours remaining, 207.425781 MB of memory in use. ENERGY: 1592200 763.4306 2061.3887 1952.7920 102.5806 -205838.1630 17705.2770 0.0000 0.0000 34259.8797 -148992.8142 299.2001 -183252.6940 -148899.7626 299.8183 22.4821 55.6454 557099.5428 -6.9773 -7.0005 LDB: ============= START OF LOAD BALANCING ============== 4756.82 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4756.82 LDB: =============== DONE WITH MIGRATION ================ 4756.83 LDB: ============= START OF LOAD BALANCING ============== 4757.13 LDB: Largest compute 4773 load 0.027873 is 23.6% of average load 0.118153 LDB: Average compute 0.001742 is 1.5% of average load 0.118153 LDB: TIME 4757.13 LOAD: AVG 0.118153 MAX 0.209324 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.996 MB LDB: TIME 4757.13 LOAD: AVG 0.118153 MAX 0.209324 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.066 MB LDB: TIME 4757.13 LOAD: AVG 0.118153 MAX 0.209324 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.066 MB LDB: ============== END OF LOAD BALANCING =============== 4757.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4757.14 PRESSURE: 1592400 -164.182 -77.521 -231.629 -77.5204 35.7981 72.7107 -231.629 72.7098 73.3812 GPRESSURE: 1592400 -145.756 -146.759 -123.144 8.69979 76.2368 28.7931 -215.95 -18.4744 105.415 PRESSAVG: 1592400 11.4298 -13.2518 -29.8015 -13.2517 12.9425 -8.59835 -29.8015 -8.5984 4.62722 GPRESSAVG: 1592400 11.2555 -14.4882 -31.2132 -12.5251 12.062 -9.07774 -26.7326 -8.10388 6.13 TIMING: 1592400 CPU: 4753.89, 0.00306784/step Wall: 4753.89, 0.00306784/step, 2.90388 hours remaining, 206.441406 MB of memory in use. ENERGY: 1592400 754.7411 2061.0489 1921.7353 111.2141 -205761.9444 17660.5514 0.0000 0.0000 34327.3008 -148925.3528 299.7889 -183252.6536 -148833.5629 299.5040 -18.3342 11.9653 558354.8327 9.6665 9.8158 PRESSURE: 1592600 32.366 127.256 188.631 127.257 -381.135 -182.845 188.63 -182.848 -294.861 GPRESSURE: 1592600 31.6122 96.1983 254.715 120.675 -349.502 -188.326 197.858 -61.5031 -225.806 PRESSAVG: 1592600 1.01976 4.87025 -6.23685 4.87011 -54.7455 -18.1685 -6.23673 -18.1684 66.5722 GPRESSAVG: 1592600 1.57161 4.7257 -4.31034 5.77431 -55.6124 -14.9144 -8.57698 -19.9948 66.8512 TIMING: 1592600 CPU: 4754.48, 0.00298004/step Wall: 4754.48, 0.00298004/step, 2.82061 hours remaining, 206.441406 MB of memory in use. ENERGY: 1592600 721.0564 2056.5501 1952.8267 121.9972 -205749.8544 17583.4048 0.0000 0.0000 34301.9610 -149012.0582 299.5676 -183314.0192 -148913.0507 299.4239 -214.5435 -181.2319 558569.1868 4.2822 4.2701 PRESSURE: 1592800 -116.003 43.6607 -43.8298 43.6597 -55.1078 -31.9582 -43.8284 -31.9597 44.8885 GPRESSURE: 1592800 -134.68 64.4423 -21.4212 102.886 43.1772 -81.5915 -5.11499 -66.1222 52.4309 PRESSAVG: 1592800 57.2466 38.4583 39.0628 38.4584 54.796 -70.5874 39.0628 -70.5872 -82.2162 GPRESSAVG: 1592800 56.5865 38.9462 38.0235 36.3087 55.5824 -71.0486 38.3754 -70.9087 -82.3331 TIMING: 1592800 CPU: 4755.07, 0.00296275/step Wall: 4755.07, 0.00296275/step, 2.80407 hours remaining, 206.441406 MB of memory in use. ENERGY: 1592800 715.7552 2091.2228 1929.6588 124.0509 -205833.4845 17652.3379 0.0000 0.0000 34289.7701 -149030.6888 299.4611 -183320.4589 -148927.7982 300.0913 -42.0740 -13.0240 557908.7103 9.9422 9.9453 PRESSURE: 1593000 148.474 83.7612 60.8513 83.7611 61.1791 32.5268 60.8509 32.5247 -50.5137 GPRESSURE: 1593000 153.618 136.404 119.929 93.2866 46.0447 -12.4638 62.263 33.9052 46.8474 PRESSAVG: 1593000 -33.0634 11.2858 7.40364 11.2858 39.9691 -17.862 7.40371 -17.862 -35.791 GPRESSAVG: 1593000 -32.3196 12.5533 8.21167 11.7687 39.6736 -21.213 8.94925 -16.3945 -36.4105 TIMING: 1593000 CPU: 4755.67, 0.002975/step Wall: 4755.67, 0.002975/step, 2.8155 hours remaining, 206.441406 MB of memory in use. ENERGY: 1593000 713.8969 2074.4350 1923.5725 118.7012 -206012.2259 17727.4440 0.0000 0.0000 34473.3312 -148980.8451 301.0642 -183454.1762 -148879.8447 300.2711 53.0466 82.1699 557055.2886 -9.6284 -9.6855 PRESSURE: 1593200 12.8502 216.995 -110.763 216.996 -339.237 -104.088 -110.762 -104.088 -74.9574 GPRESSURE: 1593200 41.297 218.935 -49.6958 281.818 -313.146 -100.158 -173.45 -86.4496 -49.2883 PRESSAVG: 1593200 32.2433 9.8403 6.52308 9.84027 14.6282 1.58194 6.52312 1.58191 -26.3786 GPRESSAVG: 1593200 34.5093 6.66268 6.52794 9.6938 13.6607 2.47463 4.96808 0.595311 -27.1757 TIMING: 1593200 CPU: 4756.27, 0.00299332/step Wall: 4756.27, 0.00299332/step, 2.83268 hours remaining, 206.441406 MB of memory in use. ENERGY: 1593200 751.5598 2030.4950 1914.1142 118.1041 -205651.0792 17529.8267 0.0000 0.0000 34198.5584 -149108.4210 298.6645 -183306.9794 -149014.1063 299.8204 -133.7813 -107.0457 556994.8201 6.8310 6.9981 PRESSURE: 1593400 237.943 50.4626 -25.0117 50.4614 -7.00895 -141.763 -25.011 -141.764 -50.6434 GPRESSURE: 1593400 230.866 -22.4892 -33.4346 32.0477 62.5975 -120.295 -110.589 -138.036 -17.7249 PRESSAVG: 1593400 51.1534 32.4265 -1.60904 32.4266 5.11775 -19.2889 -1.60913 -19.2889 -5.01321 GPRESSAVG: 1593400 50.8102 32.9548 -0.778657 32.3422 6.29641 -19.4686 -0.856893 -19.0693 -5.64002 TIMING: 1593400 CPU: 4756.86, 0.00296828/step Wall: 4756.86, 0.00296828/step, 2.80882 hours remaining, 206.441406 MB of memory in use. ENERGY: 1593400 757.2747 2112.2710 1885.8201 113.9186 -206285.9106 17938.4160 0.0000 0.0000 34347.0101 -149131.2001 299.9610 -183478.2101 -149037.6291 299.6864 60.0969 91.9129 556443.2713 17.0860 17.1555 PRESSURE: 1593600 32.7692 -29.335 81.9625 -29.3349 -34.8801 -134.599 81.9644 -134.599 0.97973 GPRESSURE: 1593600 22.3786 20.7866 85.8798 -66.3375 -6.78994 -114.506 73.4153 -157.156 76.717 PRESSAVG: 1593600 63.432 -5.04766 30.4208 -5.04773 -22.6501 -63.4007 30.4209 -63.4006 -48.1302 GPRESSAVG: 1593600 62.1692 -5.98479 28.3997 -5.18594 -22.4282 -62.644 32.3661 -61.8521 -47.1532 TIMING: 1593600 CPU: 4757.46, 0.002972/step Wall: 4757.46, 0.002972/step, 2.81217 hours remaining, 206.441406 MB of memory in use. ENERGY: 1593600 725.7272 2072.6197 1945.9710 119.8096 -205712.3453 17668.6959 0.0000 0.0000 34137.9503 -149041.5716 298.1352 -183179.5219 -148943.5951 299.4536 -0.3771 30.7686 557672.6764 -2.4494 -2.4707 PRESSURE: 1593800 -273.076 -35.5578 -71.6266 -35.5571 -114.474 -64.0245 -71.6261 -64.0234 63.0886 GPRESSURE: 1593800 -180.39 -18.1994 -46.9383 16.5561 -91.6331 -92.5227 -126.605 -115.297 51.3797 PRESSAVG: 1593800 28.3435 -38.3735 13.3434 -38.3735 -10.9418 -40.2064 13.3433 -40.2065 -5.55611 GPRESSAVG: 1593800 28.236 -38.215 16.5117 -38.6042 -11.3564 -40 12.4134 -42.3527 -4.89468 TIMING: 1593800 CPU: 4758.05, 0.00298066/step Wall: 4758.05, 0.00298066/step, 2.8202 hours remaining, 206.441406 MB of memory in use. ENERGY: 1593800 729.0875 2042.1050 1931.3128 113.6878 -205907.1642 17774.4413 0.0000 0.0000 34274.7375 -149041.7923 299.3298 -183316.5298 -148946.7936 299.4955 -108.1538 -73.5478 558899.1377 3.9485 3.9950 PRESSURE: 1594000 -210.919 148 11.2202 148 -86.1013 -81.9449 11.2209 -81.9452 1.22845 GPRESSURE: 1594000 -219.726 186.613 -7.92796 169.338 -91.3172 -14.9422 54.5408 -108.883 106.724 PRESSAVG: 1594000 37.6657 -2.7026 10.4207 -2.70274 -25.5904 -45.5299 10.4207 -45.5299 27.1473 GPRESSAVG: 1594000 37.4106 -0.271774 8.66121 -2.64059 -25.0741 -48.5399 9.45314 -43.1275 26.1805 TIMING: 1594000 CPU: 4758.66, 0.00301616/step Wall: 4758.66, 0.00301616/step, 2.85362 hours remaining, 206.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1594000 769.8332 2085.4284 1925.4435 112.4272 -205946.1403 17720.7601 0.0000 0.0000 34378.3736 -148953.8743 300.2349 -183332.2479 -148864.2630 299.6247 -98.5974 -68.1064 559010.6902 13.0742 12.8390 PRESSURE: 1594200 -114.681 -73.642 -113.045 -73.642 -316.735 -99.6288 -113.045 -99.6284 -239.19 GPRESSURE: 1594200 -125.734 -25.1376 -109.817 -108.9 -245.036 -48.274 -140.456 -121.996 -206.31 PRESSAVG: 1594200 -50.1043 -1.26528 36.2667 -1.26519 -5.78084 -50.6746 36.2668 -50.6746 28.4793 GPRESSAVG: 1594200 -50.2593 -2.23547 37.8601 -2.6417 -6.48963 -48.4664 35.7048 -50.1734 29.3841 TIMING: 1594200 CPU: 4759.26, 0.00301188/step Wall: 4759.26, 0.00301188/step, 2.8494 hours remaining, 206.441406 MB of memory in use. ENERGY: 1594200 764.2908 2157.8557 1907.7293 113.7592 -205408.8524 17470.2217 0.0000 0.0000 34140.6361 -148854.3596 298.1587 -182994.9956 -148760.7499 299.8749 -223.5354 -192.3598 558749.8673 -9.1353 -9.1216 PRESSURE: 1594400 22.4929 23.4775 212.41 23.4768 -151.491 -168.277 212.412 -168.276 36.5294 GPRESSURE: 1594400 42.3827 -43.7607 218.92 11.5122 -93.5373 -163.084 174.514 -174.307 50.7943 PRESSAVG: 1594400 -13.4873 -28.3637 -8.44819 -28.3638 -57.6036 -103.838 -8.44819 -103.838 32.3697 GPRESSAVG: 1594400 -13.4283 -28.3396 -9.08627 -28.3425 -57.1969 -103.198 -7.91399 -105.515 31.7285 TIMING: 1594400 CPU: 4759.86, 0.00302241/step Wall: 4759.86, 0.00302241/step, 2.8592 hours remaining, 206.441406 MB of memory in use. ENERGY: 1594400 731.0009 2121.2100 1935.3519 106.8321 -206343.0371 17844.8595 0.0000 0.0000 34417.3006 -149186.4821 300.5748 -183603.7827 -149092.5253 300.1890 -30.8228 -0.1201 558485.8045 -12.9070 -12.9655 PRESSURE: 1594600 -113.736 -91.4101 17.6905 -91.4106 71.0107 -68.3584 17.6912 -68.3581 -61.4421 GPRESSURE: 1594600 -125.507 -76.5775 65.3754 -20.9459 174.143 -111.236 10.996 -141.245 -64.0049 PRESSAVG: 1594600 -11.9233 11.255 22.9182 11.255 -0.740765 -54.9634 22.9183 -54.9635 -15.4342 GPRESSAVG: 1594600 -12.2817 9.45666 21.6658 12.4086 -1.22046 -54 23.7126 -56.7987 -14.9945 TIMING: 1594600 CPU: 4760.47, 0.00301479/step Wall: 4760.47, 0.00301479/step, 2.85183 hours remaining, 206.441406 MB of memory in use. ENERGY: 1594600 715.3001 2071.2987 1912.5339 111.1641 -206350.3751 17850.6435 0.0000 0.0000 34387.7488 -149301.6860 300.3168 -183689.4347 -149210.9392 299.1821 -34.7224 -5.1231 557281.7916 -9.3661 -9.4989 PRESSURE: 1594800 103.706 -224.793 -20.9841 -224.793 -113.184 -37.9935 -20.9855 -37.9933 5.12749 GPRESSURE: 1594800 143.536 -292.037 -37.6832 -200.106 -13.6984 -128.044 -15.0082 -1.08342 -32.0026 PRESSAVG: 1594800 25.8752 -29.5244 16.4188 -29.5245 50.9314 -13.3217 16.4189 -13.3217 -41.4477 GPRESSAVG: 1594800 25.8252 -26.5565 16.7743 -29.6407 51.0666 -13.7727 15.9637 -11.1576 -42.038 TIMING: 1594800 CPU: 4761.07, 0.00301736/step Wall: 4761.07, 0.00301736/step, 2.85409 hours remaining, 206.441406 MB of memory in use. ENERGY: 1594800 736.6369 2059.1099 1907.3802 99.3903 -206132.6086 17746.8122 0.0000 0.0000 34394.1812 -149189.0980 300.3729 -183583.2793 -149092.7951 299.4980 -1.4502 32.6115 556438.8385 11.7863 11.6179 PRESSURE: 1595000 -242.516 -158.815 -193.827 -158.815 -34.9949 -7.07535 -193.828 -7.07573 38.6123 GPRESSURE: 1595000 -143.835 -131.464 -131.022 -217.371 -28.8018 44.0567 -156.639 -90.2915 39.6991 PRESSAVG: 1595000 12.9661 18.6232 -37.4566 18.6231 -30.2098 43.3115 -37.4566 43.3115 11.823 GPRESSAVG: 1595000 13.6106 15.3831 -37.1364 20.2104 -30.5885 42.9017 -36.3625 41.9783 12.1599 TIMING: 1595000 CPU: 4761.67, 0.00302656/step Wall: 4761.67, 0.00302656/step, 2.86262 hours remaining, 206.441406 MB of memory in use. ENERGY: 1595000 727.2032 2021.7860 1932.7777 103.6941 -205873.8919 17636.0456 0.0000 0.0000 34166.8275 -149285.5579 298.3874 -183452.3854 -149190.8228 299.1289 -79.6329 -44.3127 558038.4964 -1.8069 -1.6060 PRESSURE: 1595200 -141.065 -218.785 94.9593 -218.785 -84.0673 -5.75321 94.9611 -5.7515 -218.881 GPRESSURE: 1595200 -130.255 -288.229 136.382 -197.788 -120.96 43.2624 0.086483 -43.2946 -112.446 PRESSAVG: 1595200 -39.4564 -53.7778 47.7673 -53.7778 19.6614 43.9608 47.7673 43.9609 -17.4859 GPRESSAVG: 1595200 -40.1526 -52.8153 48.499 -56.8327 18.3617 43.2506 47.4963 45.7785 -15.5867 TIMING: 1595200 CPU: 4762.29, 0.00305777/step Wall: 4762.29, 0.00305777/step, 2.89197 hours remaining, 206.441406 MB of memory in use. ENERGY: 1595200 770.4631 2118.3585 1936.9193 103.1049 -206174.1553 17630.1810 0.0000 0.0000 34398.4415 -149216.6870 300.4101 -183615.1286 -149109.5680 299.3316 -148.0045 -121.2203 557326.6563 -12.4269 -12.4592 PRESSURE: 1595400 -47.5757 47.0768 -66.246 47.0775 -318.986 -187.284 -66.2457 -187.283 12.2155 GPRESSURE: 1595400 -57.8272 -66.1456 -52.9458 -24.6825 -225.256 -147.715 -27.4531 -183.163 25.9654 PRESSAVG: 1595400 26.9185 -27.9046 -14.9664 -27.9046 -6.35131 -15.9102 -14.9665 -15.9103 24.6216 GPRESSAVG: 1595400 27.2949 -27.7415 -13.8079 -28.1228 -5.04771 -15.5771 -15.5545 -15.5504 22.8254 TIMING: 1595400 CPU: 4762.89, 0.00302332/step Wall: 4762.89, 0.00302332/step, 2.85922 hours remaining, 206.441406 MB of memory in use. ENERGY: 1595400 717.5002 2069.6777 1919.1448 106.6960 -205970.0891 17616.8229 0.0000 0.0000 34160.5894 -149379.6580 298.3329 -183540.2474 -149281.1454 298.7670 -118.1155 -85.7060 558779.0253 15.0629 15.0242 PRESSURE: 1595600 -188.701 86.8144 171.693 86.8149 -251.01 171.445 171.691 171.444 90.4163 GPRESSURE: 1595600 -186.265 -3.85911 120.291 141.417 -196.314 191.234 196.859 149.825 128.23 PRESSAVG: 1595600 11.2984 -49.3575 29.9783 -49.3574 7.67932 10.4755 29.9782 10.4755 30.6564 GPRESSAVG: 1595600 11.7811 -48.4637 29.9889 -48.6146 6.88748 9.84834 28.7031 10.5837 31.049 TIMING: 1595600 CPU: 4763.5, 0.00302478/step Wall: 4763.5, 0.00302478/step, 2.86043 hours remaining, 206.441406 MB of memory in use. ENERGY: 1595600 735.4989 2018.2186 1931.4425 116.9712 -205939.7906 17559.2383 0.0000 0.0000 34204.9531 -149373.4681 298.7204 -183578.4211 -149276.3772 298.8351 -116.4314 -84.7830 558392.3852 16.5447 16.5725 PRESSURE: 1595800 285.488 72.3115 19.0325 72.3112 159.269 -86.4267 19.0323 -86.4265 336.973 GPRESSURE: 1595800 392.844 10.1756 11.1548 144.75 183.481 -43.9695 50.4167 -90.6254 281.999 PRESSAVG: 1595800 71.477 -32.63 17.2831 -32.6301 -94.9817 -15.6061 17.2831 -15.6061 17.4009 GPRESSAVG: 1595800 71.162 -33.4377 15.5964 -32.6785 -94.1434 -15.4104 19.0668 -16.6158 16.8379 TIMING: 1595800 CPU: 4764.09, 0.00297785/step Wall: 4764.09, 0.00297785/step, 2.81589 hours remaining, 206.441406 MB of memory in use. ENERGY: 1595800 741.5323 2078.4501 1936.8685 112.4554 -206574.7515 18281.4773 0.0000 0.0000 34005.2237 -149418.7442 296.9761 -183423.9678 -149326.5483 298.3355 260.5766 286.1078 557964.0099 -2.0346 -2.0478 PRESSURE: 1596000 -152.801 22.9037 -64.4712 22.904 -16.8425 40.4171 -64.4716 40.4198 -88.3842 GPRESSURE: 1596000 -99.4635 41.9662 -53.6306 28.0952 -60.6402 110.107 -133.193 47.8621 -8.47143 PRESSAVG: 1596000 24.0162 3.21747 65.9863 3.21736 11.6484 -34.5713 65.9863 -34.5713 43.152 GPRESSAVG: 1596000 24.806 2.94277 66.4992 4.88791 9.7235 -33.3986 65.9384 -35.7029 43.7556 TIMING: 1596000 CPU: 4764.69, 0.00298288/step Wall: 4764.69, 0.00298288/step, 2.82047 hours remaining, 206.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1596000 751.8998 2035.6100 1909.8350 120.9610 -206109.7491 17820.0851 0.0000 0.0000 34147.0413 -149324.3169 298.2146 -183471.3582 -149221.5581 298.8853 -86.0094 -56.1917 559374.2997 26.2722 26.0951 PRESSURE: 1596200 194.647 -31.1341 75.8857 -31.1342 61.0245 -49.4318 75.885 -49.4308 -54.7831 GPRESSURE: 1596200 219.96 -44.3379 54.1153 -6.90339 67.2283 -23.0261 69.7526 -71.6632 13.5399 PRESSAVG: 1596200 -9.12724 -9.54242 86.6195 -9.54243 24.4605 55.0977 86.6196 55.0978 -13.7854 GPRESSAVG: 1596200 -10.1425 -9.77645 87.0023 -10.8131 25.9432 55.2671 84.6187 56.994 -13.9886 TIMING: 1596200 CPU: 4765.29, 0.00299893/step Wall: 4765.29, 0.00299893/step, 2.83549 hours remaining, 206.441406 MB of memory in use. ENERGY: 1596200 756.3463 2084.2591 1931.5066 113.9494 -206186.6640 17866.1095 0.0000 0.0000 34329.7476 -149104.7455 299.8102 -183434.4931 -149007.5405 299.0558 66.9630 100.2427 558389.3772 0.5160 0.6040 LDB: ============= START OF LOAD BALANCING ============== 4768.83 LDB: ============== END OF LOAD BALANCING =============== 4768.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4768.84 LDB: ============= START OF LOAD BALANCING ============== 4769.13 LDB: Largest compute 4773 load 0.028355 is 24.0% of average load 0.118135 LDB: Average compute 0.001735 is 1.5% of average load 0.118135 LDB: TIME 4769.14 LOAD: AVG 0.118135 MAX 0.208603 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.637 MB LDB: TIME 4769.14 LOAD: AVG 0.118135 MAX 0.208603 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.637 MB LDB: TIME 4769.14 LOAD: AVG 0.118135 MAX 0.208603 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.637 MB LDB: ============== END OF LOAD BALANCING =============== 4769.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4769.14 PRESSURE: 1596400 26.739 122.401 -90.0615 122.401 6.00988 114.377 -90.0611 114.377 -124.94 GPRESSURE: 1596400 87.4318 -9.62178 24.9491 129.482 32.8538 139.536 -133.409 105.642 -116.903 PRESSAVG: 1596400 4.39722 80.4861 32.8647 80.4861 -17.3761 0.35684 32.8647 0.356904 35.4264 GPRESSAVG: 1596400 6.53725 80.7592 30.8436 81.2202 -18.0276 -0.871899 34.1649 -0.376751 33.7487 TIMING: 1596400 CPU: 4765.89, 0.00302964/step Wall: 4765.89, 0.00302964/step, 2.86436 hours remaining, 207.484375 MB of memory in use. ENERGY: 1596400 754.8028 2080.7156 1938.4292 128.2061 -206031.8195 17775.7356 0.0000 0.0000 34164.7670 -149189.1631 298.3694 -183353.9301 -149094.1787 299.7453 -30.7305 1.1274 558665.7162 7.4825 7.4194 PRESSURE: 1596600 -252.538 -107.192 0.718696 -107.192 -223.006 -28.7381 0.71864 -28.74 -116.874 GPRESSURE: 1596600 -166.676 -26.193 26.8263 -171.295 -216.291 -4.06552 25.7514 -58.9059 -120.257 PRESSAVG: 1596600 18.035 45.2466 -0.668835 45.2466 -6.89859 -19.626 -0.668852 -19.6261 8.82294 GPRESSAVG: 1596600 17.3156 45.5221 0.602413 46.955 -6.78572 -19.7933 0.357183 -17.7712 9.42633 TIMING: 1596600 CPU: 4766.49, 0.00296972/step Wall: 4766.49, 0.00296972/step, 2.80754 hours remaining, 207.593750 MB of memory in use. ENERGY: 1596600 756.6656 2054.5412 1913.8448 115.7666 -205859.4005 17695.3579 0.0000 0.0000 34111.5236 -149211.7008 297.9044 -183323.2244 -149115.1472 298.7312 -197.4728 -167.7415 559351.3970 6.6531 6.6521 PRESSURE: 1596800 162.402 -184.884 -22.2784 -184.881 -31.8219 9.58277 -22.2796 9.58113 183.808 GPRESSURE: 1596800 169.672 -138.069 14.4656 -203.118 -2.74131 -28.4254 -23.6803 4.59744 239.843 PRESSAVG: 1596800 3.84748 17.9156 15.9996 17.9157 -27.7738 3.69291 15.9996 3.693 -23.6936 GPRESSAVG: 1596800 2.30834 18.1045 17.6374 14.6645 -28.0882 4.80227 15.8216 1.69639 -21.7925 TIMING: 1596800 CPU: 4767.08, 0.00296062/step Wall: 4767.08, 0.00296062/step, 2.79877 hours remaining, 207.593750 MB of memory in use. ENERGY: 1596800 736.8697 2127.7309 1916.8312 114.1447 -206376.3034 18084.2679 0.0000 0.0000 34168.4489 -149228.0102 298.4016 -183396.4591 -149137.1746 298.5843 104.7959 135.5912 558362.7480 -15.8733 -15.8575 PRESSURE: 1597000 58.8974 7.37764 136.556 7.37662 244.215 66.9253 136.556 66.9256 182.587 GPRESSURE: 1597000 114.009 8.81296 157.635 10.9287 245.337 58.0983 162.314 -4.20749 221.73 PRESSAVG: 1597000 33.4983 -43.6817 -20.1098 -43.6818 -15.4874 68.9656 -20.1097 68.9657 11.6921 GPRESSAVG: 1597000 34.3961 -43.2272 -21.71 -42.7725 -14.7876 68.0137 -21.6624 68.7154 10.05 TIMING: 1597000 CPU: 4767.68, 0.0030037/step Wall: 4767.68, 0.0030037/step, 2.83933 hours remaining, 207.593750 MB of memory in use. ENERGY: 1597000 742.9349 2033.2660 1958.6618 116.4521 -206149.2895 18063.0313 0.0000 0.0000 34118.9291 -149116.0143 297.9691 -183234.9434 -149020.2483 299.2028 161.8998 193.6918 557479.0913 9.9010 9.8862 PRESSURE: 1597200 -338.076 92.5782 -71.8071 92.5763 -135.294 209.486 -71.8076 209.487 -175.168 GPRESSURE: 1597200 -319.433 88.4711 -4.06634 152.661 -135.361 227.12 -1.58418 205.908 -100.991 PRESSAVG: 1597200 23.4794 11.116 -61.5097 11.1161 42.0813 64.1139 -61.5097 64.1139 -31.5094 GPRESSAVG: 1597200 23.8859 10.6325 -61.6423 12.3951 41.4718 65.412 -59.5748 65.6011 -31.8909 TIMING: 1597200 CPU: 4768.29, 0.00303203/step Wall: 4768.29, 0.00303203/step, 2.86594 hours remaining, 207.593750 MB of memory in use. ENERGY: 1597200 760.1604 2060.4520 1957.1473 112.1007 -205964.8029 17642.5072 0.0000 0.0000 34337.1568 -149095.2785 299.8749 -183432.4353 -148994.2027 298.8056 -216.1792 -185.2617 558208.0528 11.3504 11.1556 PRESSURE: 1597400 -31.4156 0.287986 88.3519 0.286649 115.39 -41.7107 88.353 -41.7112 71.4223 GPRESSURE: 1597400 -8.07859 42.0043 69.7785 19.1698 172.8 -58.9053 138.082 -57.442 87.3441 PRESSAVG: 1597400 24.5234 8.59278 -47.9363 8.59257 -5.59217 20.9495 -47.9364 20.9495 -11.9106 GPRESSAVG: 1597400 24.9052 8.92079 -48.194 7.44802 -6.781 20.9097 -48.9576 19.9757 -10.8719 TIMING: 1597400 CPU: 4768.89, 0.00299667/step Wall: 4768.89, 0.00299667/step, 2.83235 hours remaining, 207.593750 MB of memory in use. ENERGY: 1597400 732.5605 2093.4726 1909.9015 118.0001 -205887.6389 17700.5636 0.0000 0.0000 34133.9845 -149199.1561 298.1006 -183333.1406 -149098.0250 298.7143 51.7990 84.0219 557297.4996 2.3402 2.4174 PRESSURE: 1597600 110.197 -42.0886 52.7947 -42.0883 0.166818 -30.8558 52.7937 -30.8564 0.778265 GPRESSURE: 1597600 153.222 -64.8994 -10.1836 62.7202 28.7522 -22.5574 70.6574 30.103 23.3459 PRESSAVG: 1597600 37.5344 -43.0946 -33.2598 -43.0945 -30.1817 -15.6729 -33.2598 -15.6729 -48.7229 GPRESSAVG: 1597600 35.8894 -43.214 -31.6502 -43.2834 -28.8509 -15.7148 -31.7707 -14.8145 -48.949 TIMING: 1597600 CPU: 4769.48, 0.00296217/step Wall: 4769.48, 0.00296217/step, 2.79958 hours remaining, 207.593750 MB of memory in use. ENERGY: 1597600 760.1482 2060.7664 1955.5423 110.9508 -206242.0761 17865.0029 0.0000 0.0000 34255.1686 -149234.4968 299.1589 -183489.6654 -149138.9568 299.4482 37.0475 68.4401 557639.7893 -13.7901 -13.9702 PRESSURE: 1597800 -124.226 -58.5284 73.5592 -58.5287 203.552 118.118 73.5607 118.118 32.0514 GPRESSURE: 1597800 -104.207 -86.2131 42.498 -48.4917 256.091 196.335 149.44 88.2547 47.441 PRESSAVG: 1597800 6.61739 -18.4105 -7.12677 -18.4105 30.6018 -2.7149 -7.12677 -2.71498 -44.0199 GPRESSAVG: 1597800 7.91655 -18.5431 -8.4483 -18.8967 29.8542 -3.03292 -8.30385 -3.50407 -45.0873 TIMING: 1597800 CPU: 4770.07, 0.00297333/step Wall: 4770.07, 0.00297333/step, 2.80996 hours remaining, 207.593750 MB of memory in use. ENERGY: 1597800 751.7924 2080.4576 1961.9361 120.4865 -206395.7147 17992.0992 0.0000 0.0000 34480.3550 -149008.5879 301.1255 -183488.9429 -148911.2271 299.6893 37.1258 66.4418 558761.3161 -2.2669 -2.4388 PRESSURE: 1598000 -114.954 -26.2131 -122.377 -26.2138 -195.513 -71.8827 -122.378 -71.8834 -77.1509 GPRESSURE: 1598000 -134.935 98.1123 -125.845 -139.476 -119.045 -85.8319 -88.1513 -79.782 -36.1295 PRESSAVG: 1598000 90.7153 2.66631 34.6257 2.66634 -15.8444 6.15774 34.6257 6.15753 -56.5641 GPRESSAVG: 1598000 90.0224 4.29776 34.9581 2.57586 -15.6694 7.26387 34.9075 6.74921 -55.9033 TIMING: 1598000 CPU: 4770.67, 0.00296936/step Wall: 4770.67, 0.00296936/step, 2.80604 hours remaining, 207.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1598000 769.5518 2051.4512 1936.3293 108.9697 -206195.3976 17785.0682 0.0000 0.0000 34324.4118 -149219.6157 299.7636 -183544.0275 -149123.4258 299.4105 -129.2060 -96.7032 559208.8440 6.1022 6.1499 PRESSURE: 1598200 -100.228 107.256 150.549 107.256 133.341 277.693 150.551 277.693 -41.637 GPRESSURE: 1598200 -52.2391 94.314 81.5921 91.8614 157.13 211.977 293.191 246.044 -17.5624 PRESSAVG: 1598200 -28.0874 11.5435 -6.61565 11.5435 -20.8613 38.3377 -6.61565 38.3377 13.4766 GPRESSAVG: 1598200 -26.7961 11.2744 -6.48167 12.7906 -21.3243 37.1555 -5.95116 39.3137 12.9691 TIMING: 1598200 CPU: 4771.26, 0.00298351/step Wall: 4771.26, 0.00298351/step, 2.81925 hours remaining, 207.593750 MB of memory in use. ENERGY: 1598200 768.7255 2145.0148 1927.5144 103.5734 -206168.2663 17969.0017 0.0000 0.0000 34062.8799 -149191.5566 297.4796 -183254.4365 -149095.3345 299.3554 -2.8415 29.1094 557701.7472 -11.8240 -11.7171 PRESSURE: 1598400 -82.1143 -135.54 47.9318 -135.54 -228.638 -21.6003 47.9326 -21.6012 -210.646 GPRESSURE: 1598400 -4.52724 -96.7244 -7.72142 -135.861 -216.038 -35.6204 51.9004 -24.8063 -214.191 PRESSAVG: 1598400 -31.1758 15.4316 59.2275 15.4315 1.18025 8.61094 59.2275 8.61095 8.36523 GPRESSAVG: 1598400 -31.955 15.4843 59.2611 15.3539 0.916943 9.41346 59.0845 6.83105 9.38253 TIMING: 1598400 CPU: 4771.86, 0.00300288/step Wall: 4771.86, 0.00300288/step, 2.83739 hours remaining, 207.593750 MB of memory in use. ENERGY: 1598400 729.3262 2093.7285 1952.0121 116.2863 -205759.9573 17418.7784 0.0000 0.0000 34280.8171 -149169.0088 299.3829 -183449.8259 -149063.8530 299.5913 -173.7994 -144.9187 558529.2296 -7.2101 -7.2185 PRESSURE: 1598600 -171.301 38.0815 -91.3859 38.0811 -76.6661 19.4999 -91.3864 19.4992 -164.814 GPRESSURE: 1598600 -184.548 20.0566 -50.798 34.3544 -49.488 45.9814 -58.1161 -11.0439 -91.9236 PRESSAVG: 1598600 40.9831 2.58853 27.9389 2.58848 5.94888 16.6453 27.9388 16.6453 -8.86025 GPRESSAVG: 1598600 41.1938 4.40847 27.5938 0.614301 6.29528 17.822 26.4435 15.5647 -9.6941 TIMING: 1598600 CPU: 4772.47, 0.00301013/step Wall: 4772.47, 0.00301013/step, 2.84407 hours remaining, 207.593750 MB of memory in use. ENERGY: 1598600 777.1291 2051.9386 1937.0081 115.7496 -205981.5577 17642.7791 0.0000 0.0000 34324.9446 -149132.0088 299.7683 -183456.9534 -149032.8799 299.3146 -137.5935 -108.6533 559004.3066 12.6906 12.5983 PRESSURE: 1598800 72.1497 132.02 -46.6877 132.019 -62.3028 -78.7959 -46.6883 -78.797 -45.7374 GPRESSURE: 1598800 105.644 168.206 -101.788 161.424 -5.4462 -16.2372 -37.9153 -75.4727 -14.1965 PRESSAVG: 1598800 87.0143 25.0934 29.5629 25.0934 -29.8457 -22.9526 29.5628 -22.9527 -55.088 GPRESSAVG: 1598800 88.6887 21.6741 32.0298 27.4537 -29.9108 -25.7374 28.2133 -20.9197 -55.9219 TIMING: 1598800 CPU: 4773.06, 0.00299359/step Wall: 4773.06, 0.00299359/step, 2.82828 hours remaining, 207.593750 MB of memory in use. ENERGY: 1598800 757.3749 2073.0879 1947.1007 104.3436 -206274.6647 17966.7576 0.0000 0.0000 34422.9867 -149003.0134 300.6245 -183426.0000 -148908.4130 300.3507 -11.9635 28.6670 558363.3056 0.6936 0.9520 PRESSURE: 1599000 44.5625 67.7863 108.665 67.7866 311.606 152.732 108.666 152.733 -51.3213 GPRESSURE: 1599000 47.9199 56.8586 12.5654 75.8569 351.842 115.321 259.163 59.6074 -5.47213 PRESSAVG: 1599000 23.3459 -23.0617 -27.4142 -23.0617 27.8916 39.771 -27.4142 39.7711 -42.9698 GPRESSAVG: 1599000 21.1586 -22.1626 -29.7837 -22.1982 28.2799 42.1446 -24.3553 38.6816 -41.37 TIMING: 1599000 CPU: 4773.67, 0.00300497/step Wall: 4773.67, 0.00300497/step, 2.83886 hours remaining, 207.593750 MB of memory in use. ENERGY: 1599000 754.9986 2053.9323 1934.6162 115.3230 -206670.9219 18162.1159 0.0000 0.0000 34390.4415 -149259.4944 300.3403 -183649.9359 -149159.4711 300.1090 101.6158 131.4299 557420.3007 2.7559 2.6895 PRESSURE: 1599200 -158.721 -91.1782 125.179 -91.1794 -11.9771 -98.4404 125.178 -98.4396 52.1335 GPRESSURE: 1599200 -120.751 -96.3666 162.495 -80.1925 10.556 -90.3058 96.4302 -55.1732 91.7228 PRESSAVG: 1599200 -18.1159 -23.4768 1.89928 -23.4769 8.80818 -7.16406 1.89926 -7.16403 20.8822 GPRESSAVG: 1599200 -18.4361 -22.7077 1.07602 -24.7941 9.34612 -9.10443 2.28778 -8.01293 20.3057 TIMING: 1599200 CPU: 4774.27, 0.00300498/step Wall: 4774.27, 0.00300498/step, 2.8387 hours remaining, 207.593750 MB of memory in use. ENERGY: 1599200 754.0628 2103.6626 1929.1703 115.2661 -206107.3695 17684.4464 0.0000 0.0000 34335.3313 -149185.4300 299.8590 -183520.7613 -149086.5583 299.7554 -39.5216 -6.1575 557772.1469 3.8582 3.7386 PRESSURE: 1599400 125.991 35.6808 133.234 35.682 236.03 63.0601 133.233 63.0602 -57.002 GPRESSURE: 1599400 134.896 -78.5846 175.26 89.1813 300.691 62.6537 62.7863 24.4723 -24.4693 PRESSAVG: 1599400 18.3675 -7.59913 -45.5284 -7.59916 -14.4319 -36.5133 -45.5284 -36.5134 6.99499 GPRESSAVG: 1599400 18.4467 -8.20697 -45.7104 -7.50673 -15.1882 -35.7894 -46.5145 -36.0737 7.95204 TIMING: 1599400 CPU: 4774.85, 0.00292873/step Wall: 4774.85, 0.00292873/step, 2.76651 hours remaining, 207.710938 MB of memory in use. ENERGY: 1599400 764.5905 2019.9470 1942.4108 111.2236 -206550.8661 18052.7473 0.0000 0.0000 34553.4161 -149106.5307 301.7636 -183659.9469 -149007.1172 300.2627 101.6732 137.0391 557760.2410 3.6435 3.7369 PRESSURE: 1599600 103.104 -127.294 33.5726 -127.295 67.0151 -111.152 33.5731 -111.152 136.788 GPRESSURE: 1599600 143.167 -111.677 65.5887 -104.489 166.952 -128.763 33.9686 -144.716 100.122 PRESSAVG: 1599600 10.4223 -38.7788 29.7403 -38.7788 20.7051 -16.0811 29.7404 -16.081 -42.4371 GPRESSAVG: 1599600 11.2075 -35.6235 31.606 -40.9208 20.9119 -16.328 29.7487 -16.5477 -43.1392 TIMING: 1599600 CPU: 4775.44, 0.00295323/step Wall: 4775.44, 0.00295323/step, 2.78949 hours remaining, 207.710938 MB of memory in use. ENERGY: 1599600 766.8079 2103.4247 1933.0845 108.8007 -206659.7357 18054.3002 0.0000 0.0000 34331.8472 -149361.4706 299.8286 -183693.3177 -149265.3822 299.4621 102.3024 136.7475 556059.4233 -3.7699 -3.6733 PRESSURE: 1599800 -130.114 84.9654 77.4299 84.9648 -178.729 78.3 77.429 78.2984 1.17446 GPRESSURE: 1599800 -107.395 138.469 112.707 88.1535 -127.313 120.647 -36.0711 154.472 25.783 PRESSAVG: 1599800 -15.315 -68.2658 27.0669 -68.2659 44.2527 -23.9254 27.0669 -23.9255 -38.065 GPRESSAVG: 1599800 -15.4097 -71.3763 25.8846 -66.1353 44.5261 -22.2311 26.0711 -24.3113 -37.7717 TIMING: 1599800 CPU: 4776.04, 0.00298625/step Wall: 4776.04, 0.00298625/step, 2.82052 hours remaining, 207.710938 MB of memory in use. ENERGY: 1599800 744.3446 2117.0574 1920.7193 116.3973 -206079.9247 17667.1332 0.0000 0.0000 34243.8374 -149270.4354 299.0599 -183514.2728 -149165.8500 299.3290 -102.5562 -69.6415 557610.9193 -3.0424 -2.8851 PRESSURE: 1600000 137.237 237.418 6.42499 237.418 370.965 -66.2518 6.42474 -66.2514 287.823 GPRESSURE: 1600000 126.094 116.174 -34.3666 203.887 405.506 -136.479 18.028 -63.0248 364 PRESSAVG: 1600000 5.14792 -27.8008 -43.6398 -27.8008 -2.7605 -5.85562 -43.6399 -5.85552 -6.64042 GPRESSAVG: 1600000 3.84164 -28.3928 -43.326 -29.6808 -2.73804 -7.47203 -41.3432 -4.52894 -5.70904 TIMING: 1600000 CPU: 4776.64, 0.00301189/step Wall: 4776.64, 0.00301189/step, 2.84456 hours remaining, 207.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1600000 714.7877 2080.5151 1943.9559 114.5894 -206668.9905 18200.2875 0.0000 0.0000 34369.6839 -149245.1709 300.1590 -183614.8549 -149145.5769 299.5774 265.3417 298.5333 556705.8285 -1.4177 -1.5351 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1600000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 1600000 WRITING COORDINATES TO RESTART FILE AT STEP 1600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1600200 151.794 -132.238 18.4157 -132.237 -138.847 -14.37 18.4165 -14.3714 -209.987 GPRESSURE: 1600200 156.354 -123.203 -10.6564 -188.094 -41.0604 28.0659 13.5244 -23.747 -199.851 PRESSAVG: 1600200 50.8685 -55.606 0.0124012 -55.6058 15.54 -41.1672 0.012428 -41.1672 -18.7062 GPRESSAVG: 1600200 52.3139 -54.1194 -0.147037 -55.0679 15.1935 -40.5654 0.0537979 -41.4594 -19.951 TIMING: 1600200 CPU: 4777.25, 0.00304518/step Wall: 4777.25, 0.00304518/step, 2.87583 hours remaining, 207.710938 MB of memory in use. ENERGY: 1600200 719.6207 2062.1807 1934.9901 106.6001 -206424.9811 17847.4487 0.0000 0.0000 34192.6869 -149561.4539 298.6132 -183754.1407 -149462.2845 299.0157 -65.6799 -28.1857 556602.2785 15.9008 15.8521 LDB: ============= START OF LOAD BALANCING ============== 4780.8 LDB: ============== END OF LOAD BALANCING =============== 4780.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4780.8 LDB: ============= START OF LOAD BALANCING ============== 4781.1 LDB: Largest compute 4773 load 0.027993 is 23.7% of average load 0.118092 LDB: Average compute 0.001729 is 1.5% of average load 0.118092 LDB: TIME 4781.1 LOAD: AVG 0.118092 MAX 0.20924 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.734 MB LDB: TIME 4781.1 LOAD: AVG 0.118092 MAX 0.20924 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.734 MB LDB: TIME 4781.1 LOAD: AVG 0.118092 MAX 0.20924 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.734 MB LDB: ============== END OF LOAD BALANCING =============== 4781.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4781.11 PRESSURE: 1600400 -141.877 16.4266 34.3213 16.4262 -239.798 -77.7799 34.3206 -77.7789 -547.289 GPRESSURE: 1600400 -80.1603 -22.9416 -16.3954 -4.54196 -205.891 -164.908 74.8397 -23.8971 -537.712 PRESSAVG: 1600400 32.7107 -5.4428 16.2523 -5.4428 -39.5824 -36.0128 16.2523 -36.0126 -19.6936 GPRESSAVG: 1600400 31.9566 -6.93332 17.8965 -4.99812 -39.0437 -34.9612 14.1392 -36.673 -19.1698 TIMING: 1600400 CPU: 4777.86, 0.00303709/step Wall: 4777.86, 0.00303709/step, 2.86802 hours remaining, 208.007812 MB of memory in use. ENERGY: 1600400 750.1914 2068.7937 1975.1810 114.2932 -206138.8009 17465.6190 0.0000 0.0000 34208.8691 -149555.8535 298.7546 -183764.7226 -149462.4849 298.1910 -309.6546 -274.5876 557322.5414 -8.8551 -8.7523 PRESSURE: 1600600 -102.537 -50.6906 -160.709 -50.6889 22.7135 175.852 -160.708 175.853 259.848 GPRESSURE: 1600600 -58.5087 -12.6269 -204.553 -66.9476 37.8341 172.895 -28.269 148.78 292.454 PRESSAVG: 1600600 24.0827 -16.275 -33.1239 -16.275 -41.873 -7.67828 -33.1239 -7.6783 34.6316 GPRESSAVG: 1600600 23.7815 -15.0468 -36.03 -17.1638 -41.2611 -9.40927 -30.5976 -6.54951 34.3111 TIMING: 1600600 CPU: 4778.46, 0.00298877/step Wall: 4778.46, 0.00298877/step, 2.82223 hours remaining, 208.210938 MB of memory in use. ENERGY: 1600600 730.6404 2068.4905 1928.1091 109.9259 -206463.3948 17899.3512 0.0000 0.0000 34205.0604 -149521.8174 298.7213 -183726.8777 -149424.9360 298.4065 60.0083 90.5930 556553.5974 5.6138 5.6105 PRESSURE: 1600800 -121.542 -57.6846 -241.894 -57.6843 -291.283 118.918 -241.893 118.916 -145.272 GPRESSURE: 1600800 -135.89 -109.637 -212.523 19.1717 -217.034 91.4348 -275.17 166.595 -99.1838 PRESSAVG: 1600800 -86.6514 42.7593 -57.3651 42.7593 10.9194 26.5183 -57.3652 26.5183 62.3972 GPRESSAVG: 1600800 -85.5948 41.8413 -54.0241 44.5066 9.12816 25.5315 -60.2217 25.8014 63.348 TIMING: 1600800 CPU: 4779.06, 0.00299574/step Wall: 4779.06, 0.00299574/step, 2.82864 hours remaining, 208.210938 MB of memory in use. ENERGY: 1600800 746.9595 2066.4222 1905.8342 107.9739 -206006.3341 17532.6314 0.0000 0.0000 34229.1911 -149417.3218 298.9320 -183646.5130 -149322.8819 298.6132 -186.0325 -150.7025 557590.4032 -4.4450 -4.3729 PRESSURE: 1601000 127.664 70.5094 48.6619 70.508 66.3761 32.4951 48.6608 32.4961 224.608 GPRESSURE: 1601000 120.811 107.586 38.4635 93.5132 82.5568 -40.7451 9.46699 92.6498 305.968 PRESSAVG: 1601000 -65.8554 31.0165 -30.6914 31.0165 -21.743 -10.8517 -30.6915 -10.8516 99.8098 GPRESSAVG: 1601000 -65.9033 31.7529 -31.8807 30.8947 -19.8986 -10.6111 -28.207 -11.5234 98.3522 TIMING: 1601000 CPU: 4779.66, 0.00300055/step Wall: 4779.66, 0.00300055/step, 2.83301 hours remaining, 208.210938 MB of memory in use. ENERGY: 1601000 722.7288 2072.6983 1916.6897 116.5406 -206214.8164 18017.2879 0.0000 0.0000 34034.6641 -149334.2069 297.2332 -183368.8710 -149233.4385 298.3912 139.5492 169.7785 558079.2007 4.0705 4.1834 PRESSURE: 1601200 266.19 63.9706 73.2773 63.9718 -177.124 8.125 73.277 8.12413 35.0952 GPRESSURE: 1601200 306.895 54.0974 54.6231 130.095 -204.705 43.8798 74.8851 -1.96877 134.913 PRESSAVG: 1601200 -32.0053 38.8813 -27.5848 38.8814 -14.7152 -1.57049 -27.5848 -1.57043 61.6969 GPRESSAVG: 1601200 -32.0468 39.2797 -26.5418 36.2598 -14.5472 -0.502804 -29.5494 -0.355858 61.986 TIMING: 1601200 CPU: 4780.26, 0.00301934/step Wall: 4780.26, 0.00301934/step, 2.85059 hours remaining, 208.210938 MB of memory in use. ENERGY: 1601200 755.7681 2079.7349 1953.7122 101.9049 -206062.5513 17741.4031 0.0000 0.0000 34151.9775 -149278.0506 298.2577 -183430.0280 -149190.8810 298.2348 41.3872 79.0342 557414.2385 4.9921 5.1307 PRESSURE: 1601400 -11.3803 168.98 23.8969 168.981 156.465 8.74052 23.8963 8.74172 360.463 GPRESSURE: 1601400 12.3291 165.25 83.6444 115.058 227.077 101.379 -99.7296 -65.067 353.514 PRESSAVG: 1601400 8.82651 20.4574 -3.18208 20.4575 65.5132 4.28927 -3.1822 4.28924 -45.4476 GPRESSAVG: 1601400 7.8376 19.6579 -5.01044 22.8592 65.1943 4.01249 -1.84798 6.31788 -43.963 TIMING: 1601400 CPU: 4780.86, 0.00302368/step Wall: 4780.86, 0.00302368/step, 2.85452 hours remaining, 208.210938 MB of memory in use. ENERGY: 1601400 737.8622 2079.5223 1949.5007 104.2566 -206398.8489 17964.5427 0.0000 0.0000 34258.4193 -149304.7452 299.1873 -183563.1645 -149203.9091 298.6456 168.5162 197.6401 555177.0054 9.6307 9.6896 PRESSURE: 1601600 222.142 -79.6081 80.5366 -79.6067 -148.358 212.931 80.5365 212.931 134.391 GPRESSURE: 1601600 209.675 -106.85 29.4786 -85.3133 -82.9364 172.784 143.951 234.251 185.965 PRESSAVG: 1601600 -10.4012 -20.9167 55.9818 -20.9168 -55.2405 41.3032 55.9817 41.3032 71.0571 GPRESSAVG: 1601600 -10.305 -21.4678 57.1025 -21.2379 -54.5701 41.2166 56.2463 37.9085 70.1954 TIMING: 1601600 CPU: 4781.47, 0.0030148/step Wall: 4781.47, 0.0030148/step, 2.84597 hours remaining, 208.210938 MB of memory in use. ENERGY: 1601600 755.1093 2145.8453 1932.4334 117.1036 -206029.9141 17786.0889 0.0000 0.0000 34044.6588 -149248.6748 297.3205 -183293.3336 -149154.3449 298.7694 69.3916 104.2344 556193.2018 1.8051 1.7734 PRESSURE: 1601800 -67.2796 -93.9888 -175.714 -93.9888 119.012 -58.4917 -175.715 -58.4903 85.2674 GPRESSURE: 1601800 -79.0584 -110.819 -159.873 -73.8453 141.48 -37.2616 -154.445 -47.2837 165.139 PRESSAVG: 1601800 4.39598 -0.609636 35.3727 -0.609674 0.107529 33.4199 35.3726 33.42 4.45996 GPRESSAVG: 1601800 4.01036 -0.380159 34.3242 -1.26479 -0.10513 32.6686 33.9827 34.4186 4.58434 TIMING: 1601800 CPU: 4782.07, 0.00300277/step Wall: 4782.07, 0.00300277/step, 2.83444 hours remaining, 208.210938 MB of memory in use. ENERGY: 1601800 758.2060 2052.4538 1959.2552 128.1159 -205995.3003 17824.9395 0.0000 0.0000 34126.3443 -149145.9856 298.0339 -183272.3299 -149056.2081 299.0510 45.6666 75.8536 558388.6998 2.9878 2.8299 PRESSURE: 1602000 12.5338 8.01007 32.7598 8.01023 118.911 78.1646 32.7598 78.1645 -179.743 GPRESSURE: 1602000 87.2222 -3.95077 -49.7171 -25.8981 99.7941 22.0446 72.9161 146.734 -136.758 PRESSAVG: 1602000 -48.1704 -41.5413 25.1148 -41.5413 45.4624 -6.11788 25.1147 -6.11791 -6.684 GPRESSAVG: 1602000 -45.6602 -43.7303 25.9211 -41.9358 43.3248 -6.06084 26.1815 -6.34747 -6.75492 TIMING: 1602000 CPU: 4782.66, 0.00297187/step Wall: 4782.66, 0.00297187/step, 2.80511 hours remaining, 208.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1602000 761.1899 2075.4989 1942.1701 118.8791 -206232.4821 17863.1802 0.0000 0.0000 34365.0432 -149106.5207 300.1185 -183471.5639 -149002.6260 299.3750 -16.0995 16.7528 558457.0323 -3.1307 -3.0301 PRESSURE: 1602200 28.4478 119.939 -248.927 119.938 156.115 27.5414 -248.926 27.5415 20.6951 GPRESSURE: 1602200 126.653 88.1975 -178.841 203.207 130.923 106.141 -272.508 52.9917 46.0569 PRESSAVG: 1602200 -43.6326 49.5373 9.06372 49.5374 -9.21719 -12.2856 9.06372 -12.2856 84.2941 GPRESSAVG: 1602200 -44.7904 52.9347 8.42434 47.8796 -8.60722 -10.9085 9.16239 -14.053 84.3907 TIMING: 1602200 CPU: 4783.26, 0.00297542/step Wall: 4783.26, 0.00297542/step, 2.8083 hours remaining, 208.210938 MB of memory in use. ENERGY: 1602200 771.4793 2077.9061 1927.4893 123.3746 -206154.4325 17924.4649 0.0000 0.0000 34306.7447 -149022.9736 299.6093 -183329.7183 -148917.1629 299.7332 68.4192 101.2108 556443.7969 10.4815 10.3310 PRESSURE: 1602400 21.6299 117.166 -6.14359 117.165 -135.158 -121.278 -6.14358 -121.278 64.1381 GPRESSURE: 1602400 -7.51878 53.1416 27.8273 141.83 -55.4493 -146.874 -54.266 -125.991 109.892 PRESSAVG: 1602400 19.9118 -1.01493 6.46252 -1.01498 -22.643 -82.0616 6.46257 -82.0618 11.3823 GPRESSAVG: 1602400 20.7793 -3.86736 7.45793 0.656066 -22.2396 -84.2172 5.48715 -80.3252 10.3985 TIMING: 1602400 CPU: 4783.86, 0.00299538/step Wall: 4783.86, 0.00299538/step, 2.82697 hours remaining, 208.210938 MB of memory in use. ENERGY: 1602400 737.0827 2122.3657 1925.4928 109.3210 -206288.3273 17901.1372 0.0000 0.0000 34436.7841 -149056.1439 300.7450 -183492.9279 -148947.3605 300.0158 -16.4632 15.6414 558707.6980 2.8837 2.9794 PRESSURE: 1602600 110.883 16.3462 -46.0294 16.346 -71.1727 -13.1494 -46.0297 -13.1507 -108 GPRESSURE: 1602600 158.771 109.761 -79.9934 22.418 -37.4471 -36.0625 -21.7977 62.8317 -84.3289 PRESSAVG: 1602600 28.8096 10.2615 -32.5501 10.2614 -9.11393 -55.6249 -32.5502 -55.6248 -1.2443 GPRESSAVG: 1602600 27.1268 12.1171 -33.9169 10.2187 -7.38546 -53.9175 -30.9193 -57.584 -1.27494 TIMING: 1602600 CPU: 4784.45, 0.00298992/step Wall: 4784.45, 0.00298992/step, 2.82165 hours remaining, 208.210938 MB of memory in use. ENERGY: 1602600 759.7055 2132.7899 1984.8983 117.3084 -206623.6736 17956.2967 0.0000 0.0000 34463.2004 -149209.4744 300.9757 -183672.6747 -149106.6428 300.1321 -22.7631 12.3315 557290.7806 6.1505 6.1555 PRESSURE: 1602800 -183.888 -52.8842 -77.9986 -52.885 36.0002 21.3435 -77.9996 21.3425 21.6291 GPRESSURE: 1602800 -131.037 -22.5294 -130.401 -59.928 63.3449 0.369935 -66.7762 60.2775 46.1303 PRESSAVG: 1602800 34.6762 30.22 -46.05 30.22 -32.1941 -7.21141 -46.05 -7.21151 -9.60992 GPRESSAVG: 1602800 35.866 30.123 -45.5492 29.3764 -34.9807 -7.88554 -45.8203 -5.52385 -8.23859 TIMING: 1602800 CPU: 4785.05, 0.00297372/step Wall: 4785.05, 0.00297372/step, 2.8062 hours remaining, 208.210938 MB of memory in use. ENERGY: 1602800 750.7635 2079.8376 1972.2473 113.7608 -206087.1131 17657.1472 0.0000 0.0000 34333.7455 -149179.6112 299.8451 -183513.3567 -149079.5434 300.0368 -42.0863 -7.1873 557085.6836 -2.3760 -2.4511 PRESSURE: 1603000 -266.568 -54.8835 8.62153 -54.8837 -575.04 -35.3861 8.62147 -35.3858 -194.774 GPRESSURE: 1603000 -264.497 -77.6457 28.6719 -88.9179 -466.877 5.4248 41.6908 -168.043 -204.143 PRESSAVG: 1603000 5.88127 56.2506 16.5831 56.2506 24.9271 -9.05804 16.5831 -9.05797 -48.6872 GPRESSAVG: 1603000 5.20228 56.5779 15.0438 56.4257 25.0313 -8.56884 17.8383 -8.03449 -48.0686 TIMING: 1603000 CPU: 4785.65, 0.00299257/step Wall: 4785.65, 0.00299257/step, 2.82382 hours remaining, 208.210938 MB of memory in use. ENERGY: 1603000 751.9426 2067.9512 1927.7145 113.3097 -205573.2412 17276.0115 0.0000 0.0000 34147.7727 -149288.5391 298.2210 -183436.3118 -149190.0606 298.9848 -345.4608 -311.8392 558144.6513 -5.9596 -5.9450 PRESSURE: 1603200 152.451 -216.391 173.943 -216.392 -135.966 129.406 173.943 129.406 16.2296 GPRESSURE: 1603200 142.503 -193.944 148.707 -271.627 -87.7019 72.9331 159.725 135.911 75.4715 PRESSAVG: 1603200 77.0079 -8.44949 53.1028 -8.44961 -41.9496 2.20145 53.103 2.20154 -19.2944 GPRESSAVG: 1603200 76.9133 -9.58522 54.2166 -9.81684 -41.2914 1.91531 49.6099 1.24793 -20.2194 TIMING: 1603200 CPU: 4786.25, 0.00299973/step Wall: 4786.25, 0.00299973/step, 2.83041 hours remaining, 208.210938 MB of memory in use. ENERGY: 1603200 739.9600 2080.2731 1929.8637 126.2880 -206196.3502 17834.4102 0.0000 0.0000 34167.4173 -149318.1380 298.3926 -183485.5553 -149223.4944 298.4621 10.9050 43.4242 558257.9825 5.2546 5.1342 PRESSURE: 1603400 26.0374 118.019 -93.1452 118.019 222.83 -133.974 -93.147 -133.972 53.2768 GPRESSURE: 1603400 75.7006 112.17 -9.79271 6.71491 209.279 -130.7 -52.4243 -163.151 110.197 PRESSAVG: 1603400 32.6972 3.34375 36.3461 3.34375 -66.8331 -45.4937 36.3461 -45.4937 -9.23182 GPRESSAVG: 1603400 32.4167 4.79954 36.2549 3.84943 -66.5211 -46.2826 37.0804 -46.1701 -9.20266 TIMING: 1603400 CPU: 4786.85, 0.00299377/step Wall: 4786.85, 0.00299377/step, 2.82462 hours remaining, 208.210938 MB of memory in use. ENERGY: 1603400 735.9588 2108.7863 1933.1282 117.5800 -206641.8248 18092.0010 0.0000 0.0000 34225.3040 -149429.0665 298.8981 -183654.3705 -149339.3920 298.7901 100.7148 131.7255 556731.4757 -14.4559 -14.4357 PRESSURE: 1603600 -253.813 87.1554 44.41 87.1555 -196.572 131.915 44.4097 131.913 -198.459 GPRESSURE: 1603600 -255.233 53.5446 29.8309 121.942 -154.637 98.4418 21.1747 93.1461 -137.207 PRESSAVG: 1603600 -42.2445 55.8986 57.5281 55.8986 -29.1336 3.28481 57.5282 3.28486 23.4799 GPRESSAVG: 1603600 -42.2165 54.322 56.4755 55.4919 -29.9101 5.35465 58.356 0.710536 24.5566 TIMING: 1603600 CPU: 4787.45, 0.00300956/step Wall: 4787.45, 0.00300956/step, 2.83935 hours remaining, 208.210938 MB of memory in use. ENERGY: 1603600 716.7280 2030.2176 1933.0731 116.7951 -205785.5059 17330.5848 0.0000 0.0000 34075.4454 -149582.6619 297.5893 -183658.1073 -149484.5182 297.5192 -216.2812 -182.3589 558120.7291 -15.9661 -15.8567 PRESSURE: 1603800 -119.866 -45.2286 -72.6567 -45.2304 -147.838 34.6569 -72.6575 34.6567 77.5953 GPRESSURE: 1603800 -64.772 -53.6817 -81.286 -108.277 -132.307 131.426 27.98 -1.70352 103.414 PRESSAVG: 1603800 19.8064 1.94846 -17.7874 1.94842 -20.3708 -12.5952 -17.7873 -12.5952 14.8713 GPRESSAVG: 1603800 20.4549 1.81551 -14.9169 3.93432 -20.4331 -13.7534 -20.0492 -10.0983 13.6364 TIMING: 1603800 CPU: 4788.05, 0.00298438/step Wall: 4788.05, 0.00298438/step, 2.81543 hours remaining, 208.210938 MB of memory in use. ENERGY: 1603800 723.3160 2033.2332 1923.2258 108.0380 -206068.2565 17591.3405 0.0000 0.0000 34371.0407 -149318.0623 300.1708 -183689.1031 -149220.4470 298.3944 -63.3696 -31.2218 557638.0334 4.7690 4.5527 PRESSURE: 1604000 123.392 -157.217 82.0626 -157.216 -41.3066 228.595 82.0623 228.594 75.9081 GPRESSURE: 1604000 202.434 -240.479 36.7325 -77.5088 -18.7731 194.005 38.6108 258.612 71.3991 PRESSAVG: 1604000 10.2186 -5.66466 -51.4896 -5.66467 -63.7715 9.14309 -51.4896 9.14302 31.0523 GPRESSAVG: 1604000 9.58129 -5.13389 -54.4794 -5.3128 -63.3192 8.23986 -49.6881 9.54604 30.6135 TIMING: 1604000 CPU: 4788.64, 0.00299379/step Wall: 4788.64, 0.00299379/step, 2.82414 hours remaining, 208.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1604000 716.4215 2035.0546 1920.0578 100.6122 -206427.0441 17975.9096 0.0000 0.0000 34405.2355 -149273.7530 300.4695 -183678.9885 -149180.3186 299.4018 52.6644 85.0202 557482.5607 -7.5002 -7.7081 PRESSURE: 1604200 306.176 52.8774 -121.597 52.8783 -325.9 166.298 -121.597 166.299 177.417 GPRESSURE: 1604200 335.912 55.9822 -129.821 -42.7153 -288.812 97.4721 -66.5317 181.202 209.049 PRESSAVG: 1604200 39.3401 28.0153 -90.698 28.0153 -97.6464 -32.1579 -90.6979 -32.158 70.1865 GPRESSAVG: 1604200 39.6325 25.7974 -91.62 28.1262 -97.8912 -31.3621 -90.6654 -31.9891 70.4843 TIMING: 1604200 CPU: 4789.24, 0.00297381/step Wall: 4789.24, 0.00297381/step, 2.80513 hours remaining, 208.210938 MB of memory in use. ENERGY: 1604200 741.1673 2085.9266 1957.9223 124.8329 -206537.0963 17967.2391 0.0000 0.0000 34186.5416 -149473.4664 298.5596 -183660.0081 -149373.0834 299.2640 52.5640 85.3831 557010.8634 3.9600 4.0752 LDB: ============= START OF LOAD BALANCING ============== 4792.79 LDB: ============== END OF LOAD BALANCING =============== 4792.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4792.79 LDB: ============= START OF LOAD BALANCING ============== 4793.09 LDB: Largest compute 4773 load 0.027850 is 23.6% of average load 0.118059 LDB: Average compute 0.001735 is 1.5% of average load 0.118059 LDB: TIME 4793.09 LOAD: AVG 0.118059 MAX 0.207447 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.23 MB LDB: TIME 4793.09 LOAD: AVG 0.118059 MAX 0.207447 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: TIME 4793.09 LOAD: AVG 0.118059 MAX 0.207447 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: ============== END OF LOAD BALANCING =============== 4793.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4793.1 PRESSURE: 1604400 -109.772 -53.062 4.76543 -53.0625 -66.3794 45.4023 4.76714 45.4013 -229.263 GPRESSURE: 1604400 -70.3348 -47.1276 48.1143 19.6409 -58.5356 -81.8258 -12.2096 131.275 -175.623 PRESSAVG: 1604400 -14.1278 -32.1393 -30.9632 -32.1393 -5.76588 -16.388 -30.9632 -16.388 58.4993 GPRESSAVG: 1604400 -15.3097 -31.5778 -29.9206 -33.567 -4.91861 -18.0474 -30.388 -16.5721 58.8525 TIMING: 1604400 CPU: 4789.85, 0.00305196/step Wall: 4789.85, 0.00305196/step, 2.87867 hours remaining, 207.160156 MB of memory in use. ENERGY: 1604400 748.0643 2060.7619 1919.7653 110.3577 -206194.0789 17614.1609 0.0000 0.0000 34265.9322 -149475.0365 299.2529 -183740.9688 -149381.9741 298.6202 -135.1381 -101.4978 556245.0301 12.8685 12.8747 PRESSURE: 1604600 -148.572 111.644 -2.85565 111.645 -110.589 -58.3133 -2.85741 -58.3133 86.9287 GPRESSURE: 1604600 -122.156 91.8526 -2.18294 28.832 -93.4373 -133.913 -6.34734 9.32623 134.549 PRESSAVG: 1604600 47.4445 -25.7535 32.1258 -25.7535 -39.9093 3.43691 32.1257 3.43681 -2.66643 GPRESSAVG: 1604600 47.8449 -26.0545 32.6547 -25.2207 -40.9274 5.03972 29.6819 2.57338 -1.95599 TIMING: 1604600 CPU: 4790.45, 0.00299398/step Wall: 4790.45, 0.00299398/step, 2.82382 hours remaining, 207.363281 MB of memory in use. ENERGY: 1604600 684.5711 2038.7119 1953.0970 115.3712 -206385.5675 17771.4573 0.0000 0.0000 34298.6657 -149523.6933 299.5388 -183822.3590 -149420.9068 298.9122 -57.4106 -27.0147 557853.3331 1.6229 1.6538 PRESSURE: 1604800 -260.579 62.5211 50.1087 62.5196 240.157 -89.3641 50.1083 -89.3636 -68.1584 GPRESSURE: 1604800 -221.879 66.8653 92.7228 81.7011 253.073 -47.0348 13.0863 -80.618 -25.2844 PRESSAVG: 1604800 -12.0639 59.0524 23.0649 59.0524 -54.8964 21.5321 23.065 21.5321 77.8655 GPRESSAVG: 1604800 -12.031 59.8426 21.7804 58.7473 -53.3975 21.2965 26.0685 20.2859 75.8119 TIMING: 1604800 CPU: 4791.05, 0.00302685/step Wall: 4791.05, 0.00302685/step, 2.85466 hours remaining, 207.363281 MB of memory in use. ENERGY: 1604800 756.0556 2058.9593 1919.8848 119.5469 -206579.0831 17924.6788 0.0000 0.0000 34343.4881 -149456.4696 299.9302 -183799.9577 -149362.6907 299.0678 -29.5267 1.9701 556514.6509 3.6351 3.4611 PRESSURE: 1605000 -64.4327 0.350404 54.4345 0.350359 81.4467 -151.964 54.4335 -151.963 156.441 GPRESSURE: 1605000 -35.8657 65.9075 87.8042 -42.2834 155.996 -47.574 5.52016 -220.222 166.168 PRESSAVG: 1605000 -56.4868 14.858 -25.9476 14.858 58.8071 -59.2948 -25.9476 -59.2948 -4.74282 GPRESSAVG: 1605000 -56.3747 16.6217 -25.4822 12.7363 57.5339 -59.49 -26.2751 -57.1457 -3.69329 TIMING: 1605000 CPU: 4791.66, 0.00301337/step Wall: 4791.66, 0.00301337/step, 2.84177 hours remaining, 207.363281 MB of memory in use. ENERGY: 1605000 735.8344 2061.5996 1932.2900 114.4613 -206529.9602 17873.4189 0.0000 0.0000 34136.4849 -149675.8710 298.1224 -183812.3560 -149578.4305 298.7782 57.8184 95.4325 556088.9791 -0.8075 -0.8447 PRESSURE: 1605200 133.104 -81.6123 61.5377 -81.6124 -61.7797 43.6361 61.5363 43.6362 -211.412 GPRESSURE: 1605200 169.736 -36.3002 78.8617 -109.022 -41.9793 117.841 6.97023 39.4461 -181.618 PRESSAVG: 1605200 -53.9366 8.87402 -38.1643 8.87406 -20.0968 -6.23872 -38.1643 -6.23866 21.9968 GPRESSAVG: 1605200 -53.3874 6.99266 -39.3553 9.87989 -20.9658 -5.48348 -37.1453 -6.7826 21.928 TIMING: 1605200 CPU: 4792.25, 0.00298779/step Wall: 4792.25, 0.00298779/step, 2.81749 hours remaining, 207.363281 MB of memory in use. ENERGY: 1605200 736.6937 2117.1426 1956.1196 125.5942 -206891.3195 18043.5269 0.0000 0.0000 34239.4292 -149672.8132 299.0215 -183912.2424 -149577.6766 298.8796 -46.6958 -17.9536 555577.0165 -17.3456 -17.4751 PRESSURE: 1605400 -188.678 6.19255 89.0539 6.19104 -11.4643 -47.2293 89.0545 -47.2302 -6.26499 GPRESSURE: 1605400 -159.184 4.47657 82.797 -25.1967 40.5571 -35.8466 134.304 -24.881 7.93331 PRESSAVG: 1605400 70.7542 53.363 -0.845521 53.363 -12.1886 -6.38689 -0.845452 -6.38691 -20.9607 GPRESSAVG: 1605400 70.5678 55.1648 -0.303204 53.202 -10.398 -7.81187 0.591439 -5.87722 -22.4345 TIMING: 1605400 CPU: 4792.85, 0.00299221/step Wall: 4792.85, 0.00299221/step, 2.82149 hours remaining, 207.363281 MB of memory in use. ENERGY: 1605400 783.3866 2093.4411 1926.5794 107.0967 -206606.6694 17870.7039 0.0000 0.0000 34185.2700 -149640.1916 298.5485 -183825.4616 -149543.8680 298.5374 -68.8024 -36.8979 557778.2886 12.5350 12.5784 PRESSURE: 1605600 76.2189 -144.326 149.441 -144.326 -122.591 -107.253 149.441 -107.254 373.723 GPRESSURE: 1605600 86.8014 -228.375 151.314 -156.046 -34.9435 -139.049 155.465 -59.4424 379.023 PRESSAVG: 1605600 -13.2071 60.082 -24.4336 60.0821 6.84741 -58.6468 -24.4336 -58.6467 -37.6072 GPRESSAVG: 1605600 -13.1674 59.4686 -23.0113 59.4357 5.46978 -56.9131 -28.5996 -59.7733 -36.3913 TIMING: 1605600 CPU: 4793.45, 0.00296967/step Wall: 4793.45, 0.00296967/step, 2.80007 hours remaining, 207.363281 MB of memory in use. ENERGY: 1605600 754.2092 2085.3427 1934.1192 105.5335 -206729.2891 18034.1029 0.0000 0.0000 34239.2413 -149576.7403 299.0198 -183815.9816 -149486.4041 298.7288 109.1169 143.6270 555112.3265 -14.6556 -14.6963 PRESSURE: 1605800 -106.259 77.9514 -8.94187 77.9515 -229.437 -89.6209 -8.9418 -89.6225 159.487 GPRESSURE: 1605800 -76.5461 97.4215 39.2747 139.484 -197.934 -27.3473 -46.4313 -146.997 190.355 PRESSAVG: 1605800 3.3585 33.4552 42.7708 33.4553 20.5316 -1.28963 42.7708 -1.28974 -22.1177 GPRESSAVG: 1605800 2.93632 31.4983 42.6772 36.6633 20.8883 -1.32863 43.852 -2.40789 -22.0312 TIMING: 1605800 CPU: 4794.05, 0.0030003/step Wall: 4794.05, 0.0030003/step, 2.82878 hours remaining, 207.363281 MB of memory in use. ENERGY: 1605800 757.1583 2075.5815 1926.4828 111.5311 -206191.9262 17798.8437 0.0000 0.0000 34014.4340 -149507.8948 297.0565 -183522.3288 -149410.7251 298.2017 -58.7365 -28.0419 556276.5785 0.5908 0.5978 PRESSURE: 1606000 -57.1108 146.37 -72.2084 146.37 -97.1497 13.913 -72.209 13.9125 10.8006 GPRESSURE: 1606000 -105.974 77.0786 -57.1973 61.9212 -9.25994 48.1599 -140.012 50.4098 67.0126 PRESSAVG: 1606000 57.4097 85.9942 17.5165 85.9941 -38.5929 -62.4412 17.5165 -62.4412 -29.6878 GPRESSAVG: 1606000 57.1872 86.0628 17.751 85.1919 -37.9198 -65.1028 16.6798 -59.331 -29.8285 TIMING: 1606000 CPU: 4794.65, 0.00302589/step Wall: 4794.65, 0.00302589/step, 2.85274 hours remaining, 207.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1606000 782.1750 2087.5140 1930.4648 117.4491 -206181.8169 17684.9224 0.0000 0.0000 34113.4070 -149465.8846 297.9209 -183579.2916 -149378.0574 298.7784 -47.8200 -16.0737 557014.7065 -3.6237 -3.5204 PRESSURE: 1606200 48.0662 61.0445 64.0686 61.0447 54.1962 -48.2749 64.069 -48.276 -74.9152 GPRESSURE: 1606200 118.374 17.0531 63.0909 88.4423 88.4306 -29.1284 110.121 -124.393 -81.2641 PRESSAVG: 1606200 -3.41552 36.5745 7.81531 36.5745 28.6352 -7.18614 7.81531 -7.18601 -7.5507 GPRESSAVG: 1606200 -2.26131 37.0874 6.89483 35.8381 28.4538 -6.08342 8.89037 -8.17211 -8.53113 TIMING: 1606200 CPU: 4795.25, 0.00297982/step Wall: 4795.25, 0.00297982/step, 2.80914 hours remaining, 207.363281 MB of memory in use. ENERGY: 1606200 745.8345 2128.8881 1934.0239 125.6805 -206409.0982 17916.2550 0.0000 0.0000 33949.6494 -149608.7667 296.4907 -183558.4161 -149504.9611 297.5500 9.1157 41.8469 556000.1883 5.8897 5.8871 PRESSURE: 1606400 -150.442 126.282 96.5278 126.283 0.22162 -26.6783 96.5285 -26.6785 -227.26 GPRESSURE: 1606400 -140.264 148.045 156.424 156.277 34.6547 -80.0148 121.286 39.5497 -176.473 PRESSAVG: 1606400 61.4646 31.8666 22.5972 31.8665 80.084 83.943 22.5971 83.9429 -116.083 GPRESSAVG: 1606400 60.6269 32.783 22.5148 31.0869 79.8105 83.205 23.7879 84.9494 -115.635 TIMING: 1606400 CPU: 4795.84, 0.00297395/step Wall: 4795.84, 0.00297395/step, 2.80345 hours remaining, 207.363281 MB of memory in use. ENERGY: 1606400 758.6839 2105.5048 1921.6236 107.7932 -206375.7772 17721.7824 0.0000 0.0000 34345.5258 -149414.8635 299.9480 -183760.3893 -149304.5252 298.8889 -125.8266 -94.0276 556635.1056 8.4886 8.2674 PRESSURE: 1606600 137.18 146.849 112.055 146.85 153.165 72.8744 112.053 72.8748 97.2895 GPRESSURE: 1606600 122.651 179.61 72.7432 101.257 184.343 109.41 108.143 59.0916 186.91 PRESSAVG: 1606600 33.9917 60.9094 26.45 60.9095 -32.2017 47.2935 26.45 47.2935 -20.652 GPRESSAVG: 1606600 33.6093 60.4301 27.7763 61.9195 -32.1143 47.8374 24.3309 43.9231 -19.7999 TIMING: 1606600 CPU: 4796.44, 0.00296763/step Wall: 4796.44, 0.00296763/step, 2.79732 hours remaining, 207.363281 MB of memory in use. ENERGY: 1606600 738.2873 2108.2902 1928.7686 115.4311 -206446.4993 17898.4286 0.0000 0.0000 34250.4760 -149406.8176 299.1179 -183657.2935 -149312.7301 298.6999 129.2115 164.6349 557787.9833 -6.2873 -6.1017 PRESSURE: 1606800 -77.3189 -67.9171 80.1995 -67.9177 -41.676 -19.198 80.1987 -19.1975 100.329 GPRESSURE: 1606800 -69.7765 -86.8211 144.26 -32.5691 27.8287 -1.44677 -74.4478 -81.3495 116.16 PRESSAVG: 1606800 -12.7633 94.7587 -8.07368 94.7588 37.4793 -32.3862 -8.07357 -32.3863 -59.6313 GPRESSAVG: 1606800 -12.6379 96.5158 -8.38583 95.1477 38.4863 -30.9394 -7.88309 -31.037 -60.4163 TIMING: 1606800 CPU: 4797.03, 0.00296839/step Wall: 4797.03, 0.00296839/step, 2.79788 hours remaining, 207.363281 MB of memory in use. ENERGY: 1606800 720.0795 2132.5964 1944.3428 121.1488 -205884.8366 17561.1603 0.0000 0.0000 33972.6133 -149432.8955 296.6913 -183405.5088 -149346.2516 298.3241 -6.2220 24.7374 557214.3603 -11.6384 -11.5226 PRESSURE: 1607000 -36.0924 -61.3711 97.3038 -61.3705 -162.507 -98.8778 97.3025 -98.8783 37.6751 GPRESSURE: 1607000 0.711444 -90.7898 166.705 -29.1997 -137.944 -55.3454 130.435 -132.819 75.6352 PRESSAVG: 1607000 27.5247 -23.7782 -6.92666 -23.7781 21.8238 3.42302 -6.92665 3.42311 -29.0448 GPRESSAVG: 1607000 28.8263 -25.2534 -9.78075 -24.107 20.5233 0.947249 -5.89913 4.72897 -29.1525 TIMING: 1607000 CPU: 4797.63, 0.00297953/step Wall: 4797.63, 0.00297953/step, 2.80821 hours remaining, 207.363281 MB of memory in use. ENERGY: 1607000 735.6114 2043.9917 1948.8338 109.0454 -206242.8137 17786.4855 0.0000 0.0000 34148.8596 -149469.9863 298.2305 -183618.8459 -149364.2371 298.9619 -53.6414 -20.5325 558655.6454 6.7679 6.7324 PRESSURE: 1607200 -164.869 -180.41 -7.45648 -180.41 138.833 113.452 -7.45579 113.451 42.735 GPRESSURE: 1607200 -134.622 -175.766 -25.653 -144.464 164.045 125.008 -43.5674 96.7815 98.3154 PRESSAVG: 1607200 -4.58983 6.82177 -62.1053 6.82178 21.4277 -18.4637 -62.1054 -18.4637 30.4209 GPRESSAVG: 1607200 -4.61165 6.91824 -60.9709 6.0527 22.1202 -18.2874 -62.3357 -19.2231 29.9985 TIMING: 1607200 CPU: 4798.22, 0.00298231/step Wall: 4798.22, 0.00298231/step, 2.81066 hours remaining, 207.363281 MB of memory in use. ENERGY: 1607200 754.2313 2052.5518 1961.8329 113.5074 -206230.8904 17798.9415 0.0000 0.0000 34140.7694 -149409.0560 298.1598 -183549.8254 -149310.8918 299.6787 5.5662 42.5797 555389.1132 15.7529 15.8357 PRESSURE: 1607400 40.0173 -80.7333 -176.798 -80.7339 142.83 105.74 -176.798 105.738 35.7998 GPRESSURE: 1607400 153.903 -105.77 -131.128 -112.851 158.37 121.103 -167.821 111.782 0.748639 PRESSAVG: 1607400 11.358 -61.7566 18.4505 -61.7566 9.7946 33.2597 18.4506 33.2597 -18.9632 GPRESSAVG: 1607400 11.4907 -63.9252 20.5063 -60.4335 9.65344 33.9818 18.0638 31.3681 -19.5826 TIMING: 1607400 CPU: 4798.82, 0.00300212/step Wall: 4798.82, 0.00300212/step, 2.82917 hours remaining, 207.363281 MB of memory in use. ENERGY: 1607400 724.0357 2074.2540 1932.2046 113.7025 -206344.2228 17900.2090 0.0000 0.0000 34240.1348 -149359.6821 299.0276 -183599.8169 -149258.6494 299.7263 72.8823 104.3406 556443.2685 0.7298 0.5205 PRESSURE: 1607600 -34.0052 21.502 101.62 21.5027 -307.77 -115.941 101.62 -115.94 -208.237 GPRESSURE: 1607600 -24.3797 49.3615 81.1961 14.1606 -229.877 -127.056 34.1928 -110.348 -199.156 PRESSAVG: 1607600 -3.45734 -27.0431 -21.1213 -27.0431 -33.463 -46.6149 -21.1212 -46.615 32.8341 GPRESSAVG: 1607600 -4.10472 -24.1436 -22.5048 -28.8943 -33.2232 -46.1497 -21.0776 -44.5812 33.0283 TIMING: 1607600 CPU: 4799.42, 0.00299033/step Wall: 4799.42, 0.00299033/step, 2.81789 hours remaining, 207.363281 MB of memory in use. ENERGY: 1607600 748.6417 2040.8620 1966.1187 109.9989 -205759.1260 17476.0946 0.0000 0.0000 34260.8400 -149156.5700 299.2084 -183417.4100 -149052.8721 299.4086 -183.3373 -151.1377 556608.4993 -1.3621 -1.4332 PRESSURE: 1607800 222.113 13.1197 43.4674 13.1197 54.2845 -41.6126 43.4684 -41.6139 175.311 GPRESSURE: 1607800 274.146 -8.33532 65.8266 -4.5439 104.275 -60.5258 -34.5881 44.559 180.771 PRESSAVG: 1607800 -58.5185 -29.1973 -18.8468 -29.1973 7.67949 -50.0745 -18.8467 -50.0744 32.9854 GPRESSAVG: 1607800 -56.4397 -29.7908 -18.1764 -26.6021 6.51263 -52.1534 -17.8752 -50.4108 31.9626 TIMING: 1607800 CPU: 4800.02, 0.00302177/step Wall: 4800.02, 0.00302177/step, 2.84735 hours remaining, 207.363281 MB of memory in use. ENERGY: 1607800 707.5733 2095.6129 1959.3043 99.2051 -206298.5273 17959.1944 0.0000 0.0000 34385.4429 -149092.1943 300.2966 -183477.6372 -148998.8125 300.1402 150.5696 186.3975 555995.2099 -5.9512 -5.9881 PRESSURE: 1608000 -537.145 191.119 -96.8733 191.118 -178.312 48.8744 -96.8743 48.8748 -165.456 GPRESSURE: 1608000 -442.561 174.915 -111.359 176.893 -172.618 -18.2906 -42.8589 115.006 -162.572 PRESSAVG: 1608000 -37.2056 20.9725 39.0535 20.9724 26.4743 -73.6846 39.0535 -73.6845 -8.47441 GPRESSAVG: 1608000 -38.8774 22.1361 39.0359 18.8889 27.8268 -73.0925 37.4341 -75.121 -8.43968 TIMING: 1608000 CPU: 4800.63, 0.00300295/step Wall: 4800.63, 0.00300295/step, 2.82945 hours remaining, 207.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1608000 745.2152 2083.2055 1941.5885 95.0155 -205789.7973 17415.6019 0.0000 0.0000 34268.6289 -149240.5418 299.2765 -183509.1707 -149148.8194 298.6626 -293.6376 -259.2502 559174.0522 -6.4019 -6.4968 PRESSURE: 1608200 -316.881 -4.70337 9.82803 -4.70314 -173.013 -18.796 9.82682 -18.795 -248.501 GPRESSURE: 1608200 -326.859 -89.1741 -22.8705 16.2698 -138.017 9.38215 83.0527 -10.0292 -180.096 PRESSAVG: 1608200 -19.1406 -5.92643 33.4802 -5.92646 -24.1688 -40.5802 33.4803 -40.5801 58.4297 GPRESSAVG: 1608200 -18.4744 -7.92474 33.7386 -2.67575 -25.6474 -42.5119 35.7583 -40.3858 59.1595 TIMING: 1608200 CPU: 4801.23, 0.00302763/step Wall: 4801.23, 0.00302763/step, 2.85253 hours remaining, 207.363281 MB of memory in use. ENERGY: 1608200 767.1951 2112.0685 1945.4691 113.1692 -205905.9669 17544.2429 0.0000 0.0000 34241.3014 -149182.5208 299.0378 -183423.8221 -149079.6866 299.5269 -246.1320 -214.9904 559245.5351 5.0401 5.0126 LDB: ============= START OF LOAD BALANCING ============== 4804.78 LDB: ============== END OF LOAD BALANCING =============== 4804.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4804.78 LDB: ============= START OF LOAD BALANCING ============== 4805.08 LDB: Largest compute 4772 load 0.028729 is 24.3% of average load 0.118102 LDB: Average compute 0.001742 is 1.5% of average load 0.118102 LDB: TIME 4805.09 LOAD: AVG 0.118102 MAX 0.210885 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.07 MB LDB: TIME 4805.09 LOAD: AVG 0.118102 MAX 0.210885 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.113 MB LDB: TIME 4805.09 LOAD: AVG 0.118102 MAX 0.210885 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.113 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4805.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4805.09 PRESSURE: 1608400 118.25 -189.214 -66.8838 -189.213 56.4689 9.31504 -66.8831 9.31456 116.979 GPRESSURE: 1608400 129.217 -225.334 -69.8693 -180.816 109.922 2.48322 -81.6299 -41.6084 155.669 PRESSAVG: 1608400 25.0545 0.872836 40.696 0.872868 -37.8412 -12.5675 40.6959 -12.5675 8.06118 GPRESSAVG: 1608400 24.4822 2.95798 38.9107 -0.629501 -38.0002 -11.4228 41.2983 -11.6055 8.30268 TIMING: 1608400 CPU: 4801.84, 0.00305519/step Wall: 4801.84, 0.00305519/step, 2.87833 hours remaining, 208.375000 MB of memory in use. ENERGY: 1608400 745.8747 2096.9970 1936.4424 117.9635 -206527.9886 18090.7912 0.0000 0.0000 34415.0809 -149124.8390 300.5555 -183539.9199 -149027.8202 299.4027 97.2324 131.6029 558016.7162 -1.5752 -1.7384 PRESSURE: 1608600 185.194 6.36487 13.5095 6.36479 -4.61925 -45.9534 13.5097 -45.9524 257.928 GPRESSURE: 1608600 184.073 96.0518 33.411 -21.5384 83.3418 -96.5266 3.36547 -34.2141 261.198 PRESSAVG: 1608600 -42.961 15.9556 23.6594 15.9556 0.857155 -8.88682 23.6593 -8.88692 78.4682 GPRESSAVG: 1608600 -43.6368 17.0215 26.2387 14.2729 0.235057 -8.87624 21.5051 -9.17618 79.4681 TIMING: 1608600 CPU: 4802.44, 0.0029962/step Wall: 4802.44, 0.0029962/step, 2.82258 hours remaining, 208.710938 MB of memory in use. ENERGY: 1608600 757.4015 2125.4281 1913.2028 110.8483 -206416.9351 18093.5766 0.0000 0.0000 34128.2023 -149288.2754 298.0501 -183416.4777 -149197.8668 299.4932 146.1676 176.2043 557060.3350 12.1215 12.0221 PRESSURE: 1608800 41.1897 90.1273 74.8184 90.1285 -139.32 56.9044 74.8177 56.9034 -154.826 GPRESSURE: 1608800 62.9527 21.4427 85.2936 41.1922 -128.442 96.4361 32.0078 28.8307 -99.8087 PRESSAVG: 1608800 33.1434 26.3573 -2.91504 26.3573 -56.1723 -24.4582 -2.91511 -24.4582 11.5146 GPRESSAVG: 1608800 33.6346 24.6415 -2.60774 27.5562 -55.907 -23.0317 -3.83034 -23.096 10.6706 TIMING: 1608800 CPU: 4803.03, 0.00296213/step Wall: 4803.03, 0.00296213/step, 2.79032 hours remaining, 208.710938 MB of memory in use. ENERGY: 1608800 748.7443 2065.5158 1922.0312 121.3389 -206458.2651 17853.7332 0.0000 0.0000 34354.2727 -149392.6290 300.0244 -183746.9017 -149292.6183 299.3832 -84.3186 -55.0992 558168.1528 -3.8381 -3.8672 PRESSURE: 1609000 -138.55 -154.707 -117.682 -154.709 -141.377 127.858 -117.683 127.857 90.1016 GPRESSURE: 1609000 -126.268 -178.052 -108.894 -99.8637 -93.9378 116.252 -148.19 171.902 133.595 PRESSAVG: 1609000 70.8147 16.3337 -16.9786 16.3337 8.96007 14.0786 -16.9786 14.0787 -37.8207 GPRESSAVG: 1609000 69.6307 16.4982 -19.8884 17.8782 10.8093 14.8354 -14.3534 11.502 -38.5907 TIMING: 1609000 CPU: 4803.62, 0.00295539/step Wall: 4803.62, 0.00295539/step, 2.78381 hours remaining, 208.710938 MB of memory in use. ENERGY: 1609000 758.0885 2119.7495 1919.1333 115.5922 -206157.1055 17730.1225 0.0000 0.0000 34242.0687 -149272.3508 299.0445 -183514.4195 -149180.8080 298.8642 -63.2751 -28.8703 557534.4365 13.9847 13.9498 PRESSURE: 1609200 143.963 -39.2691 96.004 -39.2687 314.823 -59.3058 96.0046 -59.3042 89.0835 GPRESSURE: 1609200 169.926 -81.0497 88.4961 -79.2699 359.812 -87.6783 147.077 17.6523 107.489 PRESSAVG: 1609200 -12.2221 -23.2894 -26.7454 -23.2894 55.1777 39.5898 -26.7455 39.5898 -25.5158 GPRESSAVG: 1609200 -11.363 -23.531 -25.626 -24.6943 54.3189 38.0698 -28.6729 41.2183 -26.0391 TIMING: 1609200 CPU: 4804.22, 0.00296349/step Wall: 4804.22, 0.00296349/step, 2.79128 hours remaining, 208.914062 MB of memory in use. ENERGY: 1609200 731.1936 2086.8628 1921.4398 111.0255 -206091.9325 17868.2062 0.0000 0.0000 34084.8569 -149288.3477 297.6715 -183373.2045 -149190.3784 299.4570 182.6231 212.4089 556631.6191 5.8133 5.6389 PRESSURE: 1609400 103.964 -44.8973 -195.749 -44.8981 -62.0001 -0.154787 -195.75 -0.154258 85.8544 GPRESSURE: 1609400 130.766 22.0797 -126.51 -69.3181 -41.7093 -81.582 -219.123 -25.5933 125.479 PRESSAVG: 1609400 -37.5648 27.5735 -47.877 27.5735 23.3783 2.08956 -47.877 2.08958 0.0909228 GPRESSAVG: 1609400 -37.022 28.8449 -47.61 26.2273 22.4511 0.945685 -46.4268 1.27134 0.684038 TIMING: 1609400 CPU: 4804.81, 0.00297782/step Wall: 4804.81, 0.00297782/step, 2.80461 hours remaining, 208.914062 MB of memory in use. ENERGY: 1609400 724.1477 2077.8418 1946.5533 113.3247 -206184.4555 17880.1595 0.0000 0.0000 34283.9134 -149158.5151 299.4099 -183442.4285 -149063.2588 298.9320 42.6063 71.5120 558586.4582 -4.6985 -4.6289 PRESSURE: 1609600 -180.391 -17.2685 6.20682 -17.2675 -31.2551 24.4419 6.20544 24.4404 19.5963 GPRESSURE: 1609600 -121.353 28.3851 -124.452 1.77636 7.92969 -13.3744 43.0903 10.4338 23.3808 PRESSAVG: 1609600 -48.1683 19.0518 -21.3366 19.0519 36.9486 -6.12681 -21.3366 -6.1267 -31.9662 GPRESSAVG: 1609600 -48.296 18.7917 -22.2198 19.9377 37.4625 -5.48493 -21.1418 -5.24154 -32.2204 TIMING: 1609600 CPU: 4805.41, 0.00300712/step Wall: 4805.41, 0.00300712/step, 2.83204 hours remaining, 208.914062 MB of memory in use. ENERGY: 1609600 774.2507 2079.3637 1939.7033 113.5337 -205999.8243 17612.4056 0.0000 0.0000 34361.2397 -149119.3277 300.0853 -183480.5673 -149024.6388 299.7822 -64.0166 -30.0142 558080.5924 -14.3953 -14.3513 PRESSURE: 1609800 -256.047 2.1354 -104.995 2.1348 13.0611 27.2388 -104.995 27.239 -71.0689 GPRESSURE: 1609800 -220.478 50.5478 -131.13 -64.4445 47.0076 -22.0891 -84.5104 34.4938 -44.5553 PRESSAVG: 1609800 -13.3699 22.5105 19.307 22.5104 3.73191 -12.6051 19.3071 -12.6051 38.6598 GPRESSAVG: 1609800 -14.0771 21.7076 20.6442 21.9823 4.21312 -11.0858 17.5989 -14.2229 39.1694 TIMING: 1609800 CPU: 4806.01, 0.00296427/step Wall: 4806.01, 0.00296427/step, 2.79152 hours remaining, 208.914062 MB of memory in use. ENERGY: 1609800 748.9269 2100.5427 1944.1586 110.9148 -206002.1833 17700.8609 0.0000 0.0000 34341.4185 -149055.3609 299.9121 -183396.7794 -148955.9508 299.6865 -104.6850 -72.6751 557598.9751 9.6739 9.7685 PRESSURE: 1610000 217.599 8.29528 95.6197 8.29409 195.248 -163.4 95.62 -163.401 170.155 GPRESSURE: 1610000 286.779 -19.2242 6.64955 -11.2619 198.858 -197.102 128.614 -177.505 183.639 PRESSAVG: 1610000 8.14859 -30.6491 -14.3538 -30.6494 21.9014 -26.2244 -14.3538 -26.2245 29.6757 GPRESSAVG: 1610000 8.52123 -31.1708 -16.317 -29.5177 21.6147 -25.8143 -10.9894 -27.2844 29.1105 TIMING: 1610000 CPU: 4806.6, 0.00298308/step Wall: 4806.6, 0.00298308/step, 2.80906 hours remaining, 208.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1610000 729.2270 2088.9955 1947.7765 113.1181 -206400.4648 17897.1228 0.0000 0.0000 34481.9720 -149142.2529 301.1396 -183624.2249 -149040.1433 299.9236 194.3336 223.0921 555671.6656 19.9086 19.7488 PRESSURE: 1610200 65.8896 -149.181 54.8605 -149.179 71.7182 142.95 54.8602 142.952 95.8272 GPRESSURE: 1610200 125.536 -194.276 30.0901 -123.034 73.5427 232.087 -34.2426 111.236 142.424 PRESSAVG: 1610200 -24.9193 15.8498 -4.60037 15.8498 6.72932 -11.4019 -4.60038 -11.4018 2.08271 GPRESSAVG: 1610200 -24.8247 17.3948 -5.3111 15.8876 6.51054 -11.8982 -5.47006 -10.0202 1.9126 TIMING: 1610200 CPU: 4807.2, 0.00299029/step Wall: 4807.2, 0.00299029/step, 2.81569 hours remaining, 208.914062 MB of memory in use. ENERGY: 1610200 698.5836 2143.3490 1965.0083 100.0192 -206235.3836 17929.2348 0.0000 0.0000 34362.8601 -149036.3286 300.0994 -183399.1887 -148937.8173 300.4199 77.8117 113.8344 556355.4069 -5.3691 -5.4672 PRESSURE: 1610400 196.439 -90.6741 -240.442 -90.6743 9.80055 -41.0072 -240.442 -41.004 82.0983 GPRESSURE: 1610400 257.716 -122.289 -162.428 -75.3106 21.7109 -48.7913 -237.112 -31.6787 103.513 PRESSAVG: 1610400 88.655 -2.05868 -8.93044 -2.05874 -58.642 5.12081 -8.93039 5.12081 20.216 GPRESSAVG: 1610400 86.8312 -2.58369 -7.22083 -2.6313 -57.5967 2.48544 -10.5365 5.75916 21.2584 TIMING: 1610400 CPU: 4807.8, 0.00298639/step Wall: 4807.8, 0.00298639/step, 2.81185 hours remaining, 208.914062 MB of memory in use. ENERGY: 1610400 720.2243 2128.2444 1964.4938 112.7775 -206123.6810 17880.6862 0.0000 0.0000 34366.1418 -148951.1131 300.1281 -183317.2550 -148856.1311 300.7226 96.1128 127.6468 555153.6502 16.7430 16.8310 PRESSURE: 1610600 -46.3916 -128.867 174.005 -128.866 -42.6958 69.9224 174.004 69.9203 55.6637 GPRESSURE: 1610600 9.41347 -154.336 131.003 -197.292 -37.7218 5.1394 134.489 75.9841 94.5059 PRESSAVG: 1610600 45.0387 -67.436 -4.20454 -67.4359 4.42656 -40.2405 -4.20462 -40.2406 -36.0686 GPRESSAVG: 1610600 47.7549 -68.587 -4.72783 -66.5446 3.29276 -39.9498 -3.77837 -39.9681 -37.0509 TIMING: 1610600 CPU: 4808.39, 0.00296499/step Wall: 4808.39, 0.00296499/step, 2.79154 hours remaining, 208.914062 MB of memory in use. ENERGY: 1610600 746.8419 2119.8263 1925.2739 119.4983 -205939.7914 17765.2430 0.0000 0.0000 34398.8456 -148864.2625 300.4137 -183263.1081 -148772.4700 300.7217 -11.1412 22.0659 557291.5221 4.4655 4.6656 PRESSURE: 1610800 102.347 -118.119 33.9836 -118.12 -70.125 27.339 33.9846 27.3386 26.0953 GPRESSURE: 1610800 75.3094 -99.5076 -12.2098 -120.094 6.93372 53.9427 73.3656 30.7728 72.372 PRESSAVG: 1610800 -16.9951 28.9558 -1.70279 28.9558 3.88369 -10.5855 -1.70278 -10.5856 -13.6248 GPRESSAVG: 1610800 -17.905 29.5892 -2.7212 27.4897 3.81162 -8.43227 -0.151347 -9.66081 -12.2562 TIMING: 1610800 CPU: 4808.98, 0.00293817/step Wall: 4808.98, 0.00293817/step, 2.76612 hours remaining, 208.914062 MB of memory in use. ENERGY: 1610800 708.6432 2049.4144 1948.3940 122.6434 -205906.5559 17722.9857 0.0000 0.0000 34405.9694 -148948.5057 300.4759 -183354.4751 -148843.8164 300.7061 19.4392 51.5384 557536.3796 -8.9121 -8.7832 PRESSURE: 1611000 243.415 -29.2509 -32.5484 -29.2512 8.67079 37.8054 -32.5485 37.8043 -296.491 GPRESSURE: 1611000 243.727 15.9405 -30.3764 11.4092 68.44 -2.54682 -135.238 38.3316 -262.918 PRESSAVG: 1611000 8.82064 24.9755 0.823838 24.9756 31.6918 25.1438 0.823819 25.1437 -47.2754 GPRESSAVG: 1611000 9.09041 25.5703 2.37603 24.7845 32.2328 23.505 -0.573184 24.4987 -48.0004 TIMING: 1611000 CPU: 4809.57, 0.00296129/step Wall: 4809.57, 0.00296129/step, 2.78772 hours remaining, 208.914062 MB of memory in use. ENERGY: 1611000 788.8360 2072.5702 1943.5927 118.2287 -206194.7628 17875.9881 0.0000 0.0000 34311.6151 -149083.9319 299.6519 -183395.5470 -148998.7410 299.2841 -14.8016 16.4161 556450.6411 -2.2543 -2.2257 PRESSURE: 1611200 -61.5676 1.36524 -117.918 1.36423 -259.087 130.456 -117.918 130.455 -63.7391 GPRESSURE: 1611200 -33.0591 -79.0272 -29.1631 27.4827 -260.27 89.8774 -188.257 77.7822 -5.51097 PRESSAVG: 1611200 -19.581 61.7298 11.412 61.7298 16.4816 -11.822 11.412 -11.822 18.7202 GPRESSAVG: 1611200 -20.9911 60.3801 12.4579 62.6772 17.5425 -10.5738 12.0538 -12.1853 18.7031 TIMING: 1611200 CPU: 4810.16, 0.00295397/step Wall: 4810.16, 0.00295397/step, 2.78067 hours remaining, 208.914062 MB of memory in use. ENERGY: 1611200 731.9124 2175.8551 1939.7928 112.5861 -205564.1523 17413.8943 0.0000 0.0000 34135.3183 -149054.7933 298.1122 -183190.1115 -148960.3326 300.0754 -128.1311 -99.6135 556802.7036 5.2069 5.0848 PRESSURE: 1611400 -9.45509 81.7651 -32.6653 81.7663 -62.1348 5.69784 -32.6666 5.69738 -276.473 GPRESSURE: 1611400 -25.8578 85.3576 -74.9791 90.3483 4.45045 54.6542 107.55 -97.6903 -232.959 PRESSAVG: 1611400 4.72345 17.117 0.424145 17.117 33.0322 40.8487 0.424103 40.8488 -60.7657 GPRESSAVG: 1611400 6.53855 16.7002 0.886315 16.7729 32.6781 41.0412 -0.643084 40.8456 -61.6727 TIMING: 1611400 CPU: 4810.75, 0.00293929/step Wall: 4810.75, 0.00293929/step, 2.76669 hours remaining, 208.914062 MB of memory in use. ENERGY: 1611400 740.7252 2040.8636 1929.9829 120.1298 -205904.6530 17702.5058 0.0000 0.0000 34305.6748 -149064.7708 299.6000 -183370.4456 -148962.9973 299.6542 -116.0209 -84.7887 559666.5116 -7.6700 -7.4853 PRESSURE: 1611600 -51.0289 10.5002 -127.028 10.4997 -8.3937 -36.3568 -127.029 -36.3558 -205.509 GPRESSURE: 1611600 -54.1769 48.6639 -6.63627 11.8926 43.0884 -104.715 -232.199 34.2382 -167.94 PRESSAVG: 1611600 -21.5565 -9.16372 30.6984 -9.16379 58.6066 27.8018 30.6983 27.8018 3.0436 GPRESSAVG: 1611600 -22.4077 -8.05387 28.708 -8.92944 58.2346 25.717 32.011 29.1227 3.63237 TIMING: 1611600 CPU: 4811.34, 0.00295317/step Wall: 4811.34, 0.00295317/step, 2.77959 hours remaining, 208.914062 MB of memory in use. ENERGY: 1611600 756.1916 2102.1722 1927.8268 111.8740 -206125.0744 17558.0367 0.0000 0.0000 34443.5900 -149225.3832 300.8044 -183668.9732 -149118.5751 299.7361 -88.3104 -59.6761 558602.1947 13.3646 13.1531 PRESSURE: 1611800 108.072 -3.89925 -3.51482 -3.89862 4.98574 -145.077 -3.51612 -145.075 -92.5459 GPRESSURE: 1611800 123.837 -8.82897 -129.846 12.7432 39.7703 -197.981 14.6469 -117.917 -37.5447 PRESSAVG: 1611800 -42.9585 -8.1622 39.48 -8.16225 -15.3252 -55.6912 39.48 -55.6912 87.648 GPRESSAVG: 1611800 -42.0801 -8.16754 40.7877 -7.66943 -15.8739 -51.706 39.6026 -59.5755 87.5775 TIMING: 1611800 CPU: 4811.94, 0.00297025/step Wall: 4811.94, 0.00297025/step, 2.7955 hours remaining, 208.914062 MB of memory in use. ENERGY: 1611800 760.5396 2033.0742 1944.6379 101.4365 -206252.4968 17899.6573 0.0000 0.0000 34332.4408 -149180.7106 299.8337 -183513.1513 -149079.5598 299.6563 6.8374 42.0209 558606.0518 9.7881 9.8745 PRESSURE: 1612000 -110.896 -56.071 97.2625 -56.0706 -91.395 -72.024 97.2626 -72.0237 27.9341 GPRESSURE: 1612000 -29.1717 -32.523 99.8239 -61.6605 -74.3931 -40.6441 68.1598 -123.484 38.9604 PRESSAVG: 1612000 35.9288 -5.07667 46.3659 -5.07667 -1.75748 -23.0862 46.366 -23.0861 -2.51436 GPRESSAVG: 1612000 35.5651 -5.28385 46.1823 -6.96186 -2.08052 -25.8939 45.1493 -19.6068 -2.20347 TIMING: 1612000 CPU: 4812.53, 0.00297225/step Wall: 4812.53, 0.00297225/step, 2.79722 hours remaining, 208.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1612000 721.6798 2098.2798 1938.1224 103.1608 -206066.3500 17718.0903 0.0000 0.0000 34194.0202 -149292.9967 298.6249 -183487.0169 -149195.8121 299.1446 -58.1189 -21.5348 558086.6534 10.5523 10.4270 PRESSURE: 1612200 -219.526 2.49785 -42.0565 2.49778 -188.301 106.677 -42.0549 106.677 -346.98 GPRESSURE: 1612200 -211.59 -33.0179 -43.1519 -57.0086 -185.576 63.9019 -56.9217 146.612 -258.104 PRESSAVG: 1612200 12.7702 -41.5077 33.3918 -41.5077 10.255 9.63404 33.3919 9.63404 -26.5133 GPRESSAVG: 1612200 12.4863 -40.0813 33.4159 -41.0326 10.9211 10.9604 32.8952 6.02951 -26.724 TIMING: 1612200 CPU: 4813.12, 0.00297288/step Wall: 4813.12, 0.00297288/step, 2.79764 hours remaining, 208.914062 MB of memory in use. ENERGY: 1612200 719.9442 2044.5997 1932.5217 100.3859 -205875.1704 17550.3359 0.0000 0.0000 34056.1763 -149471.2066 297.4211 -183527.3829 -149367.0991 298.7546 -251.6023 -218.4235 560364.8262 -1.1627 -1.1056 LDB: ============= START OF LOAD BALANCING ============== 4816.67 LDB: ============== END OF LOAD BALANCING =============== 4816.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4816.67 LDB: ============= START OF LOAD BALANCING ============== 4816.97 LDB: Largest compute 4773 load 0.027952 is 23.7% of average load 0.118071 LDB: Average compute 0.001743 is 1.5% of average load 0.118071 LDB: TIME 4816.97 LOAD: AVG 0.118071 MAX 0.205657 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 4816.98 LOAD: AVG 0.118071 MAX 0.205657 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.516 MB LDB: TIME 4816.98 LOAD: AVG 0.118071 MAX 0.205657 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.516 MB LDB: ============== END OF LOAD BALANCING =============== 4816.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4816.98 PRESSURE: 1612400 -265.874 14.5589 113.266 14.5592 8.62316 -37.7719 113.265 -37.7733 -7.98711 GPRESSURE: 1612400 -217.641 42.9243 58.9406 -12.8298 30.4328 9.0733 114.089 -35.2824 23.2552 PRESSAVG: 1612400 -13.7008 25.7097 29.0336 25.7097 -11.4395 7.20802 29.0335 7.20806 -17.6469 GPRESSAVG: 1612400 -12.7252 25.0616 26.6474 25.3371 -13.1544 6.43973 31.5369 8.51003 -17.1602 TIMING: 1612400 CPU: 4813.73, 0.00303454/step Wall: 4813.73, 0.00303454/step, 2.8555 hours remaining, 207.796875 MB of memory in use. ENERGY: 1612400 728.9067 2095.8639 1969.3122 117.6314 -206053.9019 17712.0185 0.0000 0.0000 33965.6347 -149464.5346 296.6303 -183430.1693 -149375.8526 298.0988 -88.4126 -54.6509 558864.1908 -14.2624 -14.3466 PRESSURE: 1612600 -344.876 186.961 -246.111 186.96 17.9211 -1.04766 -246.111 -1.04773 -77.1132 GPRESSURE: 1612600 -352.62 167.622 -321.008 228.874 49.5494 15.1113 -151.887 -19.7682 -16.7252 PRESSAVG: 1612600 -19.9418 24.9232 -24.551 24.9231 49.44 -26.5856 -24.5508 -26.5856 6.78939 GPRESSAVG: 1612600 -20.6258 23.71 -23.6543 24.6208 50.7047 -27.4516 -25.4376 -25.4583 5.58465 TIMING: 1612600 CPU: 4814.32, 0.00296077/step Wall: 4814.32, 0.00296077/step, 2.78592 hours remaining, 207.796875 MB of memory in use. ENERGY: 1612600 718.9876 2080.7537 1939.3976 105.3787 -206297.4005 17787.8792 0.0000 0.0000 34290.4650 -149374.5387 299.4672 -183665.0038 -149277.3328 298.6447 -134.6892 -106.5985 558025.3229 12.0958 11.8878 PRESSURE: 1612800 -80.0452 69.1939 -132.377 69.1945 -42.4766 -6.27289 -132.379 -6.273 -38.405 GPRESSURE: 1612800 -22.9387 107.591 -226.337 57.4376 -41.2073 -14.7337 -152.57 -58.5445 5.32742 PRESSAVG: 1612800 -0.77166 63.2036 -64.2412 63.2037 24.2927 -5.21498 -64.2411 -5.21498 -21.9423 GPRESSAVG: 1612800 -0.454288 63.7688 -64.2537 63.3109 22.9814 -3.48162 -65.4441 -7.07613 -21.0049 TIMING: 1612800 CPU: 4814.92, 0.0029622/step Wall: 4814.92, 0.0029622/step, 2.7871 hours remaining, 207.796875 MB of memory in use. ENERGY: 1612800 712.4847 2108.6964 1942.9821 111.0547 -206016.7818 17567.4737 0.0000 0.0000 34118.6351 -149455.4552 297.9665 -183574.0903 -149364.1228 298.3993 -53.6423 -19.6062 556804.6587 0.5262 0.5074 PRESSURE: 1613000 -234.054 88.4061 -215.317 88.4058 140.563 -43.7305 -215.315 -43.7299 20.0216 GPRESSURE: 1613000 -139.05 13.5769 -296.683 97.9952 97.7785 33.2663 -216.105 15.3849 62.451 PRESSAVG: 1613000 2.13941 21.1084 -47.814 21.1084 64.3223 38.5524 -47.814 38.5524 -80.1805 GPRESSAVG: 1613000 1.50133 20.8974 -47.376 22.0378 64.7914 38.9675 -47.4564 38.2727 -80.5248 TIMING: 1613000 CPU: 4815.51, 0.00296288/step Wall: 4815.51, 0.00296288/step, 2.78757 hours remaining, 207.796875 MB of memory in use. ENERGY: 1613000 729.5899 2040.2765 1927.5239 107.7177 -205902.9152 17628.3177 0.0000 0.0000 34285.1879 -149184.3016 299.4211 -183469.4895 -149096.5668 298.3002 -24.4895 7.0599 556394.7095 -4.5729 -4.7440 PRESSURE: 1613200 -118.972 71.0835 43.7787 71.0824 -108.583 -93.8808 43.7789 -93.8793 117.005 GPRESSURE: 1613200 -69.5982 32.5368 47.3341 72.3771 -52.9697 -25.5427 -16.0806 -174.964 98.3612 PRESSAVG: 1613200 39.7213 5.09096 -40.8026 5.0909 16.7404 46.6725 -40.8026 46.6724 14.5593 GPRESSAVG: 1613200 39.5749 5.45533 -39.7329 4.38484 17.5153 44.1357 -41.1264 47.4733 14.0436 TIMING: 1613200 CPU: 4816.1, 0.00298058/step Wall: 4816.1, 0.00298058/step, 2.80406 hours remaining, 207.796875 MB of memory in use. ENERGY: 1613200 764.1637 2102.3399 1916.2770 111.5034 -205840.1784 17650.5944 0.0000 0.0000 34163.4113 -149131.8887 298.3576 -183295.3000 -149033.1920 300.2696 -36.8498 -8.0689 555796.6438 23.6737 23.7113 PRESSURE: 1613400 121.981 -44.3434 -54.4479 -44.3437 -146.215 -5.18521 -54.4496 -5.18522 -85.6385 GPRESSURE: 1613400 100.986 -15.9232 -80.6729 12.7475 -112.553 -61.1872 -117.158 -64.0549 -12.5006 PRESSAVG: 1613400 -105.26 -16.6557 -18.4156 -16.6558 -18.7058 -19.3379 -18.4157 -19.3381 110.906 GPRESSAVG: 1613400 -105.484 -18.1309 -20.0943 -15.7533 -18.2021 -19.0809 -18.4294 -17.4986 111.371 TIMING: 1613400 CPU: 4816.7, 0.00299299/step Wall: 4816.7, 0.00299299/step, 2.81558 hours remaining, 207.796875 MB of memory in use. ENERGY: 1613400 758.2167 2054.3360 1947.1938 116.0098 -206176.3552 17697.0693 0.0000 0.0000 34366.8212 -149236.7084 300.1340 -183603.5296 -149131.5437 299.7875 -36.6243 -8.0224 556304.4773 -4.3531 -4.1051 PRESSURE: 1613600 148.082 90.8151 -123.918 90.8156 251.262 -15.5278 -123.916 -15.5277 141.897 GPRESSURE: 1613600 195.841 78.8018 -55.4412 88.0198 266.44 -3.43796 -87.0057 -57.7673 182.876 PRESSAVG: 1613600 24.2831 -0.502395 -55.6542 -0.50234 -76.7905 2.28433 -55.6541 2.28437 53.0619 GPRESSAVG: 1613600 25.4127 -0.0865645 -53.9479 -2.23079 -76.8781 3.50529 -54.4963 1.03981 51.7302 TIMING: 1613600 CPU: 4817.29, 0.00294823/step Wall: 4817.29, 0.00294823/step, 2.7733 hours remaining, 207.796875 MB of memory in use. ENERGY: 1613600 707.4368 2089.0826 1929.0608 111.7240 -206415.5947 17937.5432 0.0000 0.0000 34299.9025 -149340.8447 299.5496 -183640.7472 -149245.6267 299.1882 180.4139 215.0525 555996.2835 0.1848 0.0883 PRESSURE: 1613800 89.3629 90.2962 223.56 90.2954 103.529 47.1153 223.562 47.1171 105.207 GPRESSURE: 1613800 63.1954 93.945 241.905 120.462 167.43 128.467 195.917 34.9849 165.531 PRESSAVG: 1613800 -38.792 13.2986 -32.8485 13.2987 4.37887 41.6366 -32.8484 41.6366 39.2449 GPRESSAVG: 1613800 -39.8248 13.9639 -34.8025 11.8937 4.01966 42.0955 -32.1905 40.7282 40.7393 TIMING: 1613800 CPU: 4817.89, 0.00297131/step Wall: 4817.89, 0.00297131/step, 2.79485 hours remaining, 207.796875 MB of memory in use. ENERGY: 1613800 750.0410 2034.1823 1944.3904 117.4523 -206469.9023 17952.5622 0.0000 0.0000 34448.1759 -149223.0984 300.8445 -183671.2742 -149125.6592 298.3371 99.3662 132.0521 555854.1719 1.6106 1.6447 PRESSURE: 1614000 -113.632 326.702 28.588 326.703 114.919 -111.471 28.5879 -111.47 -66.6255 GPRESSURE: 1614000 -35.8928 351.441 -3.02168 208.877 117.263 -84.755 81.3033 -94.669 -38.0576 PRESSAVG: 1614000 -29.6502 7.37065 36.6483 7.37059 78.6114 17.4494 36.6483 17.4493 -41.4832 GPRESSAVG: 1614000 -29.3097 8.39937 37.3507 8.50345 78.1093 14.9083 36.8043 19.9724 -41.3427 TIMING: 1614000 CPU: 4818.48, 0.00297374/step Wall: 4818.48, 0.00297374/step, 2.79697 hours remaining, 207.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1614000 763.6015 2069.6520 1960.6135 127.0230 -206497.7143 17913.9132 0.0000 0.0000 34365.4313 -149297.4798 300.1219 -183662.9111 -149205.7529 299.0706 -21.7794 14.4375 557324.3226 2.4927 2.4856 PRESSURE: 1614200 53.694 126.236 -276.024 126.237 262.852 37.8548 -276.026 37.8545 95.5641 GPRESSURE: 1614200 3.7921 112.726 -213.448 93.9517 341.59 114.435 -304.232 -22.9164 154.874 PRESSAVG: 1614200 -21.5669 -8.14164 17.0458 -8.14179 -0.815914 21.3695 17.0458 21.3694 17.7667 GPRESSAVG: 1614200 -21.7872 -9.2429 16.3625 -6.35222 0.835706 21.8388 15.1334 19.9183 16.4381 TIMING: 1614200 CPU: 4819.07, 0.00296509/step Wall: 4819.07, 0.00296509/step, 2.78867 hours remaining, 207.796875 MB of memory in use. ENERGY: 1614200 746.3101 2050.0925 1950.1403 97.9077 -206542.2931 18103.7624 0.0000 0.0000 34184.8492 -149409.2309 298.5448 -183594.0801 -149314.3428 299.0726 137.3701 166.7520 555772.2270 -1.5387 -1.5045 PRESSURE: 1614400 -199.189 14.2897 -5.52909 14.2902 -55.6896 -29.6639 -5.52896 -29.6615 -128.316 GPRESSURE: 1614400 -139.809 29.6231 -68.8225 -39.3779 -20.5026 -58.3272 -35.6865 -28.2472 -111.812 PRESSAVG: 1614400 -33.6899 12.2677 10.4574 12.2676 -64.1713 22.3874 10.4573 22.3875 15.5615 GPRESSAVG: 1614400 -33.7528 12.2573 11.3111 11.5659 -65.165 23.7756 11.2842 20.6673 16.511 TIMING: 1614400 CPU: 4819.67, 0.00295779/step Wall: 4819.67, 0.00295779/step, 2.78164 hours remaining, 207.796875 MB of memory in use. ENERGY: 1614400 686.4496 2018.3161 1942.4264 117.3321 -206149.8804 17750.4217 0.0000 0.0000 34360.4744 -149274.4602 300.0786 -183634.9346 -149171.6384 298.9856 -127.7316 -90.7079 558121.0753 -27.4332 -27.4689 PRESSURE: 1614600 281.405 -157.369 37.4092 -157.368 202.093 -96.7714 37.4088 -96.7713 161.442 GPRESSURE: 1614600 253.742 -99.0938 105.367 -73.9487 228.774 -91.034 -18.2315 -107.621 253.749 PRESSAVG: 1614600 35.9207 47.0409 -12.0119 47.0408 33.328 -57.8688 -12.012 -57.8688 -75.6019 GPRESSAVG: 1614600 36.6736 47.5913 -11.3715 47.6973 32.5998 -59.2162 -12.7479 -56.7974 -76.0455 TIMING: 1614600 CPU: 4820.26, 0.00297432/step Wall: 4820.26, 0.00297432/step, 2.79702 hours remaining, 207.796875 MB of memory in use. ENERGY: 1614600 704.0247 2018.0374 1910.4583 109.5987 -206354.2893 18062.0550 0.0000 0.0000 34155.7075 -149394.4077 298.2903 -183550.1152 -149302.6054 299.2801 214.9800 245.4216 557063.8157 -2.1177 -2.2574 PRESSURE: 1614800 -26.4337 9.73548 -8.31755 9.73582 -74.0284 114.252 -8.3169 114.251 -39.8925 GPRESSURE: 1614800 60.6755 -31.3823 14.9009 -24.8934 -114.256 98.1511 -7.11457 31.9673 14.9384 PRESSAVG: 1614800 -11.7415 5.72459 5.90475 5.72467 13.82 46.5782 5.90471 46.5782 9.11508 GPRESSAVG: 1614800 -12.383 6.33321 7.51906 3.87545 14.8922 46.5138 6.33574 45.6331 8.62833 TIMING: 1614800 CPU: 4820.86, 0.00297024/step Wall: 4820.86, 0.00297024/step, 2.79301 hours remaining, 207.796875 MB of memory in use. ENERGY: 1614800 720.6599 2106.7115 1941.6050 127.7156 -206332.1298 17764.0622 0.0000 0.0000 34219.4342 -149451.9413 298.8468 -183671.3756 -149366.3144 298.7564 -46.7849 -12.8807 557166.5464 3.7312 3.7125 PRESSURE: 1615000 -324.214 -18.2329 52.3941 -18.2316 -145.812 -14.2208 52.3927 -14.2214 -133.903 GPRESSURE: 1615000 -258.267 -12.3216 87.962 -50.3396 -93.2646 -54.4682 -11.2664 40.5069 -166.751 PRESSAVG: 1615000 -3.69391 -56.6228 5.15883 -56.6227 24.471 7.74899 5.1588 7.74902 -45.5921 GPRESSAVG: 1615000 -4.33991 -57.285 3.54643 -57.2908 25.3882 8.64096 6.19324 9.46906 -46.0066 TIMING: 1615000 CPU: 4821.45, 0.00297794/step Wall: 4821.45, 0.00297794/step, 2.80009 hours remaining, 207.796875 MB of memory in use. ENERGY: 1615000 749.2163 2067.2389 1932.1840 99.6156 -205814.9168 17364.3744 0.0000 0.0000 34194.4352 -149407.8525 298.6285 -183602.2877 -149309.9945 299.1412 -201.3097 -172.7607 557748.2181 -8.2717 -8.3194 PRESSURE: 1615200 -63.8955 138.9 145.544 138.9 -123.212 -85.2698 145.544 -85.2692 -146.079 GPRESSURE: 1615200 35.4793 92.0773 77.3171 115.711 -124.823 -117.991 159.638 -48.2315 -150.465 PRESSAVG: 1615200 -26.3975 -2.09066 -3.90669 -2.09055 53.1025 42.0462 -3.90656 42.0462 -51.2948 GPRESSAVG: 1615200 -25.8639 -3.51053 -4.26782 -0.305159 51.5854 42.1513 -4.24953 39.6072 -50.647 TIMING: 1615200 CPU: 4822.05, 0.0029842/step Wall: 4822.05, 0.0029842/step, 2.80581 hours remaining, 207.796875 MB of memory in use. ENERGY: 1615200 722.4321 2107.1393 1926.2815 112.5250 -206455.0231 17753.1945 0.0000 0.0000 34367.6201 -149465.8308 300.1410 -183833.4508 -149371.3030 298.3476 -111.0619 -79.9364 558254.4748 -8.1966 -8.3085 PRESSURE: 1615400 429.289 -144.844 -162.101 -144.843 100.315 -64.3968 -162.102 -64.3954 -44.7711 GPRESSURE: 1615400 462.449 -126.396 -112.344 -94.1419 150.784 4.06489 -141.347 -131.008 -34.3668 PRESSAVG: 1615400 58.2196 44.2566 -43.0902 44.2566 -15.0872 73.6145 -43.0902 73.6144 -49.4488 GPRESSAVG: 1615400 58.6355 46.8918 -40.4525 42.4846 -15.9304 75.3532 -41.747 76.8251 -48.7391 TIMING: 1615400 CPU: 4822.64, 0.00297126/step Wall: 4822.64, 0.00297126/step, 2.79348 hours remaining, 207.796875 MB of memory in use. ENERGY: 1615400 729.9247 2113.7861 1925.2302 119.8914 -206322.6552 17906.3309 0.0000 0.0000 33979.1012 -149548.3906 296.7479 -183527.4919 -149447.8662 298.4304 161.6110 192.9556 557233.6445 -2.1055 -2.0113 PRESSURE: 1615600 -101.821 31.0294 43.8806 31.029 9.95604 51.022 43.8802 51.0213 -17.2258 GPRESSURE: 1615600 -47.7928 52.2883 -30.6873 52.4984 2.08521 103.974 105.014 16.9595 28.9705 PRESSAVG: 1615600 56.5303 -24.8377 34.0246 -24.8378 9.8943 8.52323 34.0246 8.52342 -29.3348 GPRESSAVG: 1615600 57.1987 -23.5264 32.0809 -24.8562 10.5621 8.62392 33.1701 5.33828 -30.6668 TIMING: 1615600 CPU: 4823.24, 0.00299872/step Wall: 4823.24, 0.00299872/step, 2.81913 hours remaining, 207.796875 MB of memory in use. ENERGY: 1615600 711.8365 2069.6779 1923.1786 110.8915 -206188.5265 17724.5937 0.0000 0.0000 34239.1113 -149409.2370 299.0187 -183648.3483 -149313.6696 298.8277 -36.3635 -5.5790 556274.5505 12.3633 12.3647 PRESSURE: 1615800 -226.573 -0.568188 63.5512 -0.56874 55.7682 123.708 63.5514 123.709 -173.467 GPRESSURE: 1615800 -198.512 19.4267 75.0427 -53.5957 122.692 75.1571 30.2516 160.963 -170.544 PRESSAVG: 1615800 -5.24544 -15.8788 -13.0452 -15.8788 71.7154 33.7882 -13.0452 33.7883 -48.5268 GPRESSAVG: 1615800 -6.8445 -18.9738 -12.2226 -14.1378 73.2882 34.3001 -13.9585 32.5667 -48.4248 TIMING: 1615800 CPU: 4823.85, 0.00302211/step Wall: 4823.85, 0.00302211/step, 2.84095 hours remaining, 207.796875 MB of memory in use. ENERGY: 1615800 728.9567 2075.7712 1922.6997 115.9472 -206448.6096 17866.9654 0.0000 0.0000 34274.9861 -149463.2832 299.3320 -183738.2693 -149360.8277 298.7428 -114.7574 -82.1215 557937.8423 5.9811 6.0063 PRESSURE: 1616000 112.291 41.1385 -1.19697 41.1381 -56.0573 -18.769 -1.19771 -18.7681 -217.103 GPRESSURE: 1616000 100.689 -70.6147 -17.0746 54.741 -26.3582 -26.7535 35.7076 -4.71099 -125.608 PRESSAVG: 1616000 -21.6253 26.4586 -2.61879 26.4586 -23.6551 54.1512 -2.61877 54.1512 -0.7518 GPRESSAVG: 1616000 -21.1692 27.6726 -4.21459 26.0638 -24.0787 51.4248 -0.878632 56.9234 -0.511459 TIMING: 1616000 CPU: 4824.44, 0.00298877/step Wall: 4824.44, 0.00298877/step, 2.80944 hours remaining, 207.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1616000 797.3161 2094.6496 1909.1005 110.6287 -206371.9566 17918.1485 0.0000 0.0000 34242.3903 -149299.7230 299.0473 -183542.1133 -149201.1867 298.9945 -53.6233 -17.0925 558618.3056 -15.3440 -15.2531 PRESSURE: 1616200 -167.92 -116.431 -102.466 -116.432 -129.647 101.271 -102.466 101.271 55.7208 GPRESSURE: 1616200 -130.034 -133.996 -142.929 -113.487 -29.968 102.744 -35.5923 42.2608 21.1486 PRESSAVG: 1616200 55.0292 28.9588 -16.0554 28.9588 -12.9636 -41.8418 -16.0555 -41.8418 -25.2433 GPRESSAVG: 1616200 56.764 29.2748 -13.0916 29.175 -13.7777 -42.0365 -17.737 -42.3227 -25.706 TIMING: 1616200 CPU: 4825.04, 0.00296371/step Wall: 4825.04, 0.00296371/step, 2.78572 hours remaining, 207.796875 MB of memory in use. ENERGY: 1616200 735.0203 2071.8392 1929.6097 105.0275 -206121.9351 17919.0571 0.0000 0.0000 34083.2502 -149278.1309 297.6575 -183361.3812 -149182.8318 298.9341 -80.6154 -46.2845 559898.8081 5.6074 5.7601 LDB: ============= START OF LOAD BALANCING ============== 4828.59 LDB: ============== END OF LOAD BALANCING =============== 4828.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4828.59 LDB: ============= START OF LOAD BALANCING ============== 4828.89 LDB: Largest compute 4772 load 0.028592 is 24.2% of average load 0.118122 LDB: Average compute 0.001743 is 1.5% of average load 0.118122 LDB: TIME 4828.89 LOAD: AVG 0.118122 MAX 0.209427 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.34 MB LDB: TIME 4828.89 LOAD: AVG 0.118122 MAX 0.209427 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.34 MB LDB: TIME 4828.89 LOAD: AVG 0.118122 MAX 0.209427 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.34 MB LDB: ============== END OF LOAD BALANCING =============== 4828.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4828.9 PRESSURE: 1616400 -108.902 -204.204 -44.7759 -204.205 8.2018 15.9358 -44.7745 15.9363 11.3264 GPRESSURE: 1616400 -15.1221 -64.6693 -66.7733 -315.518 31.7767 61.1021 -30.9593 -44.1165 -4.18041 PRESSAVG: 1616400 10.7539 -41.5363 25.0539 -41.5364 -57.2729 30.6977 25.0539 30.6975 14.0938 GPRESSAVG: 1616400 10.9169 -42.2686 22.7999 -42.0804 -57.617 31.8281 26.9719 31.9664 14.3276 TIMING: 1616400 CPU: 4825.65, 0.00305073/step Wall: 4825.65, 0.00305073/step, 2.86735 hours remaining, 207.347656 MB of memory in use. ENERGY: 1616400 744.8377 2041.0648 1916.5828 117.2893 -206208.4345 17907.3158 0.0000 0.0000 34107.1570 -149374.1872 297.8663 -183481.3442 -149278.8652 298.9094 -29.7912 4.1580 559715.4060 -10.8084 -10.7908 PRESSURE: 1616600 400.323 -154.131 -43.2907 -154.131 -105.841 13.5656 -43.2908 13.5668 224.028 GPRESSURE: 1616600 439.29 -218.204 -40.6908 -130.737 -107.757 -24.5907 47.366 90.3838 285.047 PRESSAVG: 1616600 3.30586 -38.9316 -29.804 -38.9316 2.72189 24.133 -29.8039 24.1331 -36.0103 GPRESSAVG: 1616600 2.16078 -39.4073 -28.7733 -36.4084 3.5096 23.2841 -31.3406 22.736 -35.7033 TIMING: 1616600 CPU: 4826.24, 0.0029763/step Wall: 4826.24, 0.0029763/step, 2.79723 hours remaining, 207.417969 MB of memory in use. ENERGY: 1616600 714.2864 2024.5237 1931.7252 132.9370 -206875.9407 18332.6850 0.0000 0.0000 34478.8088 -149260.9745 301.1120 -183739.7834 -149166.3179 299.5624 172.8364 205.5270 559733.9356 -9.9942 -10.0110 PRESSURE: 1616800 -114.724 50.8876 22.702 50.8868 229.768 12.9936 22.6998 12.9942 327.366 GPRESSURE: 1616800 -60.4564 -25.4615 10.2271 100.583 248.23 75.6252 -10.0243 -31.781 351.342 PRESSAVG: 1616800 -27.9136 -17.1214 -7.66507 -17.1214 -23.7464 28.2971 -7.66507 28.2971 13.557 GPRESSAVG: 1616800 -27.9733 -15.7899 -8.69329 -19.2825 -23.8941 29.5755 -6.46286 29.6462 13.6117 TIMING: 1616800 CPU: 4826.84, 0.00299236/step Wall: 4826.84, 0.00299236/step, 2.81215 hours remaining, 207.417969 MB of memory in use. ENERGY: 1616800 723.3024 2075.1595 1928.3990 105.8992 -206430.3328 18218.3852 0.0000 0.0000 34176.9731 -149202.2143 298.4760 -183379.1874 -149104.6586 299.3590 147.4701 179.7051 559134.5746 -12.7010 -12.7519 PRESSURE: 1617000 100.941 -74.8418 18.2171 -74.8424 -130.201 -74.3396 18.2181 -74.3395 -75.94 GPRESSURE: 1617000 109.186 -128.473 -27.9546 -36.6676 -125.52 -8.98635 128.087 -127.313 6.88362 PRESSAVG: 1617000 36.6356 -36.3583 -55.9 -36.3583 -9.32041 25.3216 -55.9001 25.3217 28.9652 GPRESSAVG: 1617000 36.3041 -34.3673 -55.7234 -38.9447 -9.39767 25.2914 -57.1614 25.1009 28.8128 TIMING: 1617000 CPU: 4827.44, 0.00299908/step Wall: 4827.44, 0.00299908/step, 2.8183 hours remaining, 207.417969 MB of memory in use. ENERGY: 1617000 696.2795 2084.3193 1918.5589 111.2111 -205802.8739 17665.4366 0.0000 0.0000 34090.7343 -149236.3343 297.7229 -183327.0686 -149137.7940 298.8197 -35.0667 -3.1499 558914.9056 18.7601 18.5731 PRESSURE: 1617200 114.054 14.8838 -25.4898 14.8855 -345.984 -12.0653 -25.4897 -12.0654 165.673 GPRESSURE: 1617200 134.824 45.7103 -34.4995 -7.21459 -288.219 -99.3665 -60.9437 -13.2741 178.201 PRESSAVG: 1617200 -49.7958 3.55385 23.5207 3.55386 2.5796 -25.395 23.5207 -25.395 -9.14936 GPRESSAVG: 1617200 -48.94 3.20308 23.936 4.69159 1.92227 -26.1374 23.8026 -27.0732 -9.73599 TIMING: 1617200 CPU: 4828.04, 0.00299896/step Wall: 4828.04, 0.00299896/step, 2.81802 hours remaining, 207.417969 MB of memory in use. ENERGY: 1617200 690.7743 2085.9319 1893.0418 99.4481 -206148.1942 17762.3118 0.0000 0.0000 34252.6789 -149364.0075 299.1372 -183616.6864 -149260.1733 298.5251 -22.0859 8.2687 558189.8296 -18.7885 -18.9179 PRESSURE: 1617400 137.618 45.8389 21.811 45.8396 93.6256 -29.5839 21.8103 -29.5836 -117.372 GPRESSURE: 1617400 162.497 72.5229 7.94993 65.0148 118.54 -5.14776 82.6995 -17.4527 -76.3768 PRESSAVG: 1617400 38.9622 18.3022 20.3118 18.3022 -19.9591 -39.377 20.3119 -39.3769 -24.7349 GPRESSAVG: 1617400 38.8433 16.6102 20.7943 19.5102 -18.8455 -39.6242 21.2749 -36.9073 -25.3355 TIMING: 1617400 CPU: 4828.64, 0.00298947/step Wall: 4828.64, 0.00298947/step, 2.80894 hours remaining, 207.417969 MB of memory in use. ENERGY: 1617400 734.4024 2093.2821 1935.5538 128.1651 -205922.5073 17805.0416 0.0000 0.0000 34199.0340 -149027.0284 298.6687 -183226.0624 -148931.3017 299.1392 37.9572 68.2200 559050.6042 -1.9106 -1.7792 PRESSURE: 1617600 100.48 -200.516 -113.753 -200.515 -86.7147 -226.625 -113.755 -226.625 -250.284 GPRESSURE: 1617600 106.667 -168.49 -117.176 -189.286 -94.871 -201.837 -196.166 -220.124 -155.129 PRESSAVG: 1617600 33.6754 -60.033 -13.4959 -60.033 -20.8724 -20.786 -13.4959 -20.7858 2.75594 GPRESSAVG: 1617600 33.1574 -60.1934 -15.9977 -60.0686 -21.4678 -20.3089 -13.5862 -22.5075 3.58417 TIMING: 1617600 CPU: 4829.23, 0.00297625/step Wall: 4829.23, 0.00297625/step, 2.79636 hours remaining, 207.417969 MB of memory in use. ENERGY: 1617600 752.9461 2095.2369 1903.3689 109.3122 -205906.6870 17622.1009 0.0000 0.0000 34351.5435 -149072.1784 300.0006 -183423.7219 -148973.3284 299.6823 -78.8395 -47.7777 559480.3811 5.1863 5.0913 PRESSURE: 1617800 -66.1728 29.4818 5.87445 29.4834 60.8078 49.3786 5.87446 49.3781 -23.542 GPRESSURE: 1617800 -65.2308 50.1462 84.899 57.5147 172.898 18.6764 -25.6868 21.8566 -37.6702 PRESSAVG: 1617800 2.39481 -97.4567 -4.99586 -97.4567 -2.31517 -79.3222 -4.99588 -79.3224 -34.7695 GPRESSAVG: 1617800 2.39918 -98.2431 -4.46522 -97.3477 -1.78781 -79.9653 -5.34678 -78.4164 -34.9693 TIMING: 1617800 CPU: 4829.83, 0.00296239/step Wall: 4829.83, 0.00296239/step, 2.78316 hours remaining, 207.417969 MB of memory in use. ENERGY: 1617800 758.3174 2075.6542 1931.4561 98.1370 -206063.4976 17703.9427 0.0000 0.0000 34341.3648 -149154.6254 299.9117 -183495.9902 -149058.1576 299.7854 -9.6356 23.3322 557545.9068 -11.5633 -11.4526 PRESSURE: 1618000 12.1764 16.8943 -38.3321 16.8946 -169.893 84.7307 -38.3328 84.7304 141.833 GPRESSURE: 1618000 -8.21067 -14.427 -48.5778 77.0501 -94.6781 84.0016 -23.682 -2.76174 166.302 PRESSAVG: 1618000 -15.7987 -36.322 -70.9993 -36.3219 40.4634 -29.0143 -70.9994 -29.0143 -9.50422 GPRESSAVG: 1618000 -15.7289 -33.8146 -69.5834 -34.5923 39.2853 -28.0672 -70.5344 -31.5389 -8.57271 TIMING: 1618000 CPU: 4830.42, 0.0029585/step Wall: 4830.42, 0.0029585/step, 2.77935 hours remaining, 207.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1618000 755.6381 2110.0150 1935.5651 121.6839 -206548.7107 17899.7296 0.0000 0.0000 34468.2361 -149257.8428 301.0197 -183726.0789 -149156.1436 299.9532 -5.2947 21.1377 556663.8971 5.0535 4.9945 PRESSURE: 1618200 189.228 -24.9512 85.947 -24.9511 262.199 -34.8951 85.9466 -34.8966 -45.0428 GPRESSURE: 1618200 203.612 -84.8299 58.2612 -114.975 282.195 -2.6388 96.6565 -9.55779 28.6631 PRESSAVG: 1618200 32.7428 27.4201 12.8514 27.4201 -0.630307 -33.5314 12.8514 -33.5313 -36.1168 GPRESSAVG: 1618200 32.9505 25.9778 11.7458 25.9279 0.698982 -35.9393 13.4753 -29.5897 -37.4094 TIMING: 1618200 CPU: 4831.01, 0.00297564/step Wall: 4831.01, 0.00297564/step, 2.79529 hours remaining, 207.417969 MB of memory in use. ENERGY: 1618200 743.0865 2100.9809 1931.2221 116.5409 -206298.9480 17822.3978 0.0000 0.0000 34285.3815 -149299.3382 299.4228 -183584.7197 -149196.2575 299.8892 135.4613 171.4898 555342.6605 -1.3348 -1.2533 PRESSURE: 1618400 -151.443 -127.965 26.6579 -127.964 -216.579 169.424 26.6579 169.424 60.8617 GPRESSURE: 1618400 -85.7318 -150.091 29.7849 -192.602 -210.067 234.704 55.4043 148.223 88.086 PRESSAVG: 1618400 50.9486 -20.4347 26.6396 -20.4347 42.7506 -14.9995 26.6395 -14.9996 -47.7485 GPRESSAVG: 1618400 51.2493 -21.0481 28.2269 -20.0263 41.6907 -13.7323 26.015 -16.1333 -46.8798 TIMING: 1618400 CPU: 4831.61, 0.00299077/step Wall: 4831.61, 0.00299077/step, 2.80933 hours remaining, 207.417969 MB of memory in use. ENERGY: 1618400 711.8759 2054.7014 1937.4857 126.5893 -206024.7471 17567.3144 0.0000 0.0000 34316.3654 -149310.4150 299.6934 -183626.7804 -149216.6936 299.1508 -102.3868 -69.2377 558378.8231 15.3169 15.3534 PRESSURE: 1618600 7.06811 -49.0962 15.0374 -49.0971 164.146 218.334 15.0378 218.334 34.9327 GPRESSURE: 1618600 5.65101 -112.713 63.0002 -7.52855 246.847 206.784 -11.659 197.484 60.8033 PRESSAVG: 1618600 -38.4534 -55.4181 -59.5226 -55.418 28.7371 50.8463 -59.5226 50.8463 2.347 GPRESSAVG: 1618600 -38.3135 -55.1892 -58.3588 -55.0657 29.8647 50.849 -62.7217 51.4029 1.28071 TIMING: 1618600 CPU: 4832.21, 0.00299625/step Wall: 4832.21, 0.00299625/step, 2.81431 hours remaining, 207.417969 MB of memory in use. ENERGY: 1618600 732.8256 2066.9216 1931.8604 118.7569 -206393.6457 17978.4740 0.0000 0.0000 34190.2528 -149374.5544 298.5920 -183564.8072 -149278.7678 298.9156 68.7157 104.4338 558690.1644 -2.4564 -2.3894 PRESSURE: 1618800 181.029 -18.9526 31.5302 -18.9528 -113.443 169.802 31.5301 169.802 189.494 GPRESSURE: 1618800 231.369 46.1006 167.03 -62.3079 -102.648 166.047 43.3381 192.583 232.207 PRESSAVG: 1618800 7.74004 -2.05347 48.8096 -2.05351 -19.3019 10.669 48.8097 10.6691 -7.01631 GPRESSAVG: 1618800 8.45689 -2.22307 48.8631 -1.73322 -20.072 11.4526 49.6314 10.0854 -6.42232 TIMING: 1618800 CPU: 4832.81, 0.00302219/step Wall: 4832.81, 0.00302219/step, 2.83851 hours remaining, 207.417969 MB of memory in use. ENERGY: 1618800 750.5929 2049.8761 1909.8926 104.8707 -206202.4579 18035.6141 0.0000 0.0000 33964.5054 -149387.1062 296.6205 -183351.6116 -149302.7858 298.8739 85.6934 120.3095 558173.5639 -6.1927 -6.0125 PRESSURE: 1619000 -138.1 -56.4499 35.2691 -56.4499 -128.512 -18.6141 35.2694 -18.6134 -295.872 GPRESSURE: 1619000 -88.4661 -61.3362 -32.4051 -99.0522 -125.169 -45.8822 55.7852 45.3958 -252.476 PRESSAVG: 1619000 -61.599 6.69673 15.2115 6.69679 -32.0396 6.90441 15.2115 6.90438 86.6421 GPRESSAVG: 1619000 -61.765 5.44399 15.3632 5.77148 -30.8135 5.39413 15.3192 6.9007 86.09 TIMING: 1619000 CPU: 4833.41, 0.002993/step Wall: 4833.41, 0.002993/step, 2.81093 hours remaining, 207.417969 MB of memory in use. ENERGY: 1619000 752.3109 2070.4057 1947.2423 110.5818 -206085.4637 17615.0776 0.0000 0.0000 34390.6845 -149199.1608 300.3424 -183589.8454 -149106.8062 299.7297 -187.4949 -155.3706 557314.3080 -2.3322 -2.1628 PRESSURE: 1619200 -267.474 55.2174 252.328 55.2185 124.248 7.91905 252.328 7.91968 -58.9652 GPRESSURE: 1619200 -257.289 69.3081 197.037 34.5003 192.568 -23.7132 213.918 40.114 -31.9948 PRESSAVG: 1619200 -3.18853 -9.22963 -41.2875 -9.22961 42.294 7.62756 -41.2875 7.62762 -2.37105 GPRESSAVG: 1619200 -3.00746 -7.76542 -41.6977 -7.94421 42.209 5.22318 -41.8413 9.19506 -2.47832 TIMING: 1619200 CPU: 4834.01, 0.00297609/step Wall: 4834.01, 0.00297609/step, 2.79488 hours remaining, 207.417969 MB of memory in use. ENERGY: 1619200 760.7819 2090.4980 1940.3155 116.8375 -205911.1781 17769.3391 0.0000 0.0000 34048.2480 -149185.1580 297.3518 -183233.4060 -149084.1473 299.1712 -67.3972 -32.2387 557800.5414 12.2448 12.2411 PRESSURE: 1619400 -163.637 -43.7875 59.8542 -43.7875 90.8764 -8.30504 59.8545 -8.30594 345.873 GPRESSURE: 1619400 -117.015 -145.573 70.737 9.38345 128.522 -30.3581 151.067 66.1722 359.619 PRESSAVG: 1619400 45.5085 20.1688 20.8655 20.1687 -17.4885 46.9872 20.8656 46.9871 -17.535 GPRESSAVG: 1619400 44.7043 21.3863 20.3863 18.0492 -18.1755 51.5436 21.9602 44.8436 -16.3202 TIMING: 1619400 CPU: 4834.6, 0.00296068/step Wall: 4834.6, 0.00296068/step, 2.78024 hours remaining, 207.417969 MB of memory in use. ENERGY: 1619400 705.5675 2082.1300 1894.6336 120.0738 -206353.3295 18019.0510 0.0000 0.0000 34318.5523 -149213.3213 299.7125 -183531.8736 -149120.9452 298.8865 91.0372 123.7086 558266.5928 3.4950 3.4029 PRESSURE: 1619600 -116.002 55.3519 5.88807 55.3521 -76.5345 140.104 5.88622 140.103 -72.7189 GPRESSURE: 1619600 -191.8 2.81294 -63.1267 105.118 1.40724 194.058 71.3578 154.478 19.6647 PRESSAVG: 1619600 -43.3728 -4.79795 -37.96 -4.79791 32.9136 65.6725 -37.96 65.6724 -1.31291 GPRESSAVG: 1619600 -42.4448 -6.39171 -36.7572 -1.54972 32.0014 64.5874 -37.6676 66.3663 -1.39869 TIMING: 1619600 CPU: 4835.2, 0.00297872/step Wall: 4835.2, 0.00297872/step, 2.79702 hours remaining, 207.417969 MB of memory in use. ENERGY: 1619600 744.8589 2102.1597 1933.6612 114.9861 -206020.9110 17732.4000 0.0000 0.0000 34274.2453 -149118.5998 299.3255 -183392.8451 -149020.3005 299.8431 -88.4186 -56.9092 558706.6380 -3.9241 -3.9474 PRESSURE: 1619800 -14.0656 37.3171 -46.3654 37.3172 68.5159 160.246 -46.3661 160.246 198.153 GPRESSURE: 1619800 2.99871 30.4851 -61.9357 59.9401 159.036 196.269 -56.5884 86.1894 179.976 PRESSAVG: 1619800 -70.03 38.1143 6.52469 38.1143 47.266 12.893 6.52477 12.893 37.379 GPRESSAVG: 1619800 -71.1569 38.6106 6.7697 35.3952 48.4759 14.7498 5.90369 9.98221 37.2661 TIMING: 1619800 CPU: 4835.8, 0.00300343/step Wall: 4835.8, 0.00300343/step, 2.82005 hours remaining, 207.417969 MB of memory in use. ENERGY: 1619800 737.9115 2017.4772 1935.0222 123.6594 -206462.9598 18161.1375 0.0000 0.0000 34430.6721 -149057.0800 300.6916 -183487.7520 -148947.9821 300.3481 84.2010 114.0035 559712.5400 4.8716 4.8617 PRESSURE: 1620000 53.4063 59.6553 -76.3892 59.6547 208.49 -57.6758 -76.3888 -57.6759 114.092 GPRESSURE: 1620000 60.0709 95.9904 -87.716 57.7352 284.732 -59.3015 -101.775 -87.0824 130.739 PRESSAVG: 1620000 -27.0452 22.6228 18.413 22.6228 24.5144 2.56766 18.413 2.56766 -2.63649 GPRESSAVG: 1620000 -26.4491 24.2198 17.0372 21.8212 22.4768 2.01363 18.7287 4.25075 -1.74345 TIMING: 1620000 CPU: 4836.4, 0.00300361/step Wall: 4836.4, 0.00300361/step, 2.82006 hours remaining, 207.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1620000 755.4006 2141.2491 1914.7942 112.4777 -206575.5311 18145.3624 0.0000 0.0000 34342.1908 -149164.0565 299.9189 -183506.2473 -149069.0408 300.0197 125.3292 158.5138 559523.5678 -1.7224 -1.9053 PRESSURE: 1620200 -102.785 -123.953 -16.621 -123.953 -169.014 64.9841 -16.622 64.983 -212.119 GPRESSURE: 1620200 -79.1762 -96.7582 77.785 -101.405 -99.6022 52.3915 13.5773 68.7605 -192.124 PRESSAVG: 1620200 -25.6549 -29.7491 29.6303 -29.7491 -20.7982 -20.886 29.6302 -20.8859 3.11393 GPRESSAVG: 1620200 -27.04 -30.4111 29.5979 -26.5125 -20.0171 -21.2685 32.9583 -21.3703 3.3077 TIMING: 1620200 CPU: 4837, 0.00299849/step Wall: 4837, 0.00299849/step, 2.81508 hours remaining, 207.417969 MB of memory in use. ENERGY: 1620200 764.5808 2101.7234 1916.9670 115.2207 -206263.0431 17769.4104 0.0000 0.0000 34453.6845 -149141.4564 300.8926 -183595.1409 -149048.1167 299.6552 -161.3060 -123.6342 558427.7664 -14.4464 -14.5831 LDB: ============= START OF LOAD BALANCING ============== 4840.55 LDB: ============== END OF LOAD BALANCING =============== 4840.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4840.55 LDB: ============= START OF LOAD BALANCING ============== 4840.85 LDB: Largest compute 4773 load 0.029881 is 25.3% of average load 0.118091 LDB: Average compute 0.001738 is 1.5% of average load 0.118091 LDB: TIME 4840.85 LOAD: AVG 0.118091 MAX 0.210257 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.375 MB LDB: TIME 4840.85 LOAD: AVG 0.118091 MAX 0.210257 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.379 MB LDB: TIME 4840.85 LOAD: AVG 0.118091 MAX 0.210257 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.379 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4840.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4840.86 PRESSURE: 1620400 -152.029 4.00314 -139.215 4.00276 -214.747 -47.1879 -139.214 -47.1859 -138.95 GPRESSURE: 1620400 -90.7396 -6.56027 -130.473 -43.5412 -157.618 -90.1495 -203.958 -68.0986 -152.438 PRESSAVG: 1620400 22.5173 -23.5744 6.8642 -23.5744 35.288 -11.6876 6.86427 -11.6875 12.6434 GPRESSAVG: 1620400 22.486 -25.4153 6.72439 -25.3655 35.6707 -12.2839 3.06569 -10.8757 12.7033 TIMING: 1620400 CPU: 4837.61, 0.00305099/step Wall: 4837.61, 0.00305099/step, 2.8642 hours remaining, 206.636719 MB of memory in use. ENERGY: 1620400 776.2417 2062.8421 1932.2813 116.8176 -206019.4319 17684.6770 0.0000 0.0000 34395.5147 -149051.0575 300.3846 -183446.5723 -148958.9693 300.5064 -168.5753 -133.5985 558948.5630 23.4829 23.6200 PRESSURE: 1620600 -79.9708 15.4489 -9.19477 15.4504 57.0621 18.807 -9.19453 18.8089 -161.916 GPRESSURE: 1620600 -18.347 -44.7669 -18.5388 14.8067 97.0187 40.7095 26.1508 20.179 -167.567 PRESSAVG: 1620600 27.9828 -37.4709 23.5636 -37.4709 -42.8541 -50.6698 23.5637 -50.6698 -13.6533 GPRESSAVG: 1620600 28.2669 -36.3518 24.3616 -38.7517 -42.8283 -48.9081 22.9852 -51.6912 -14.376 TIMING: 1620600 CPU: 4838.21, 0.00300044/step Wall: 4838.21, 0.00300044/step, 2.81658 hours remaining, 206.636719 MB of memory in use. ENERGY: 1620600 784.2930 2060.5956 1952.1486 126.4114 -206116.9315 17666.7483 0.0000 0.0000 34402.1137 -149124.6209 300.4422 -183526.7346 -149028.6144 299.6685 -61.6083 -29.6319 556970.1706 -9.5082 -9.6458 PRESSURE: 1620800 -72.825 -62.8718 -91.3275 -62.8715 -63.8972 120.989 -91.3274 120.99 -186.535 GPRESSURE: 1620800 -23.3152 48.2103 -133.591 -140.431 -37.7771 164.243 -118.487 96.3384 -164.996 PRESSAVG: 1620800 -23.6007 23.4919 -19.4422 23.4919 36.0252 -65.9621 -19.4422 -65.9621 18.7538 GPRESSAVG: 1620800 -22.3542 23.7594 -19.5681 26.4296 35.2728 -66.8445 -18.1078 -64.1548 18.0228 TIMING: 1620800 CPU: 4838.81, 0.00300581/step Wall: 4838.81, 0.00300581/step, 2.82146 hours remaining, 206.636719 MB of memory in use. ENERGY: 1620800 739.2727 2129.0898 1949.9049 112.5125 -205809.8247 17522.9090 0.0000 0.0000 34198.3912 -149157.7446 298.6631 -183356.1358 -149056.8475 299.2671 -107.7523 -75.3627 557612.1199 10.3928 10.3138 PRESSURE: 1621000 -137.473 -138.011 184.942 -138.011 -188.922 -54.1112 184.942 -54.11 -5.17256 GPRESSURE: 1621000 -116.659 -72.1104 175.792 -169.093 -143.097 -133.011 161.249 2.59037 19.9702 PRESSAVG: 1621000 -31.1606 -38.9905 28.9059 -38.9905 26.7592 -7.37558 28.9058 -7.37556 25.6534 GPRESSAVG: 1621000 -33.0753 -39.3853 26.4532 -39.0906 28.21 -8.22684 28.6532 -7.66212 26.6892 TIMING: 1621000 CPU: 4839.41, 0.00298372/step Wall: 4839.41, 0.00298372/step, 2.80055 hours remaining, 206.636719 MB of memory in use. ENERGY: 1621000 797.3564 2057.7113 1932.9334 105.3351 -206361.2446 17810.4363 0.0000 0.0000 34487.8159 -149169.6561 301.1907 -183657.4720 -149068.8309 300.0721 -110.5225 -79.9284 555977.0115 7.0840 7.2746 PRESSURE: 1621200 -90.7734 -30.7781 204.18 -30.7787 81.482 51.4862 204.18 51.4856 165.738 GPRESSURE: 1621200 -37.2182 -56.1486 104.532 21.3942 66.8407 115.498 219.641 -88.6121 224.567 PRESSAVG: 1621200 -0.768276 2.14377 -15.357 2.14372 -58.4357 -32.6746 -15.3571 -32.6744 68.3444 GPRESSAVG: 1621200 -0.225235 1.41809 -15.4681 1.60929 -58.159 -32.7675 -16.6697 -32.2253 67.924 TIMING: 1621200 CPU: 4840, 0.00299063/step Wall: 4840, 0.00299063/step, 2.80687 hours remaining, 206.636719 MB of memory in use. ENERGY: 1621200 768.9733 2075.2557 1956.5582 105.1716 -205901.7803 17720.5572 0.0000 0.0000 34152.3807 -149122.8835 298.2612 -183275.2642 -149035.5389 299.3524 52.1490 84.7297 557019.8991 3.0468 3.1799 PRESSURE: 1621400 -23.21 -18.6806 144.912 -18.68 55.4269 2.99485 144.91 2.99446 -21.0484 GPRESSURE: 1621400 13.9656 24.1967 145.409 46.838 114.44 54.0696 190.429 -46.5651 -11.217 PRESSAVG: 1621400 -3.8602 35.4195 38.8932 35.4195 -19.5845 -25.208 38.8932 -25.2079 41.9071 GPRESSAVG: 1621400 -3.34819 35.8072 41.9741 36.1922 -21.0001 -24.194 39.5836 -26.3578 42.8914 TIMING: 1621400 CPU: 4840.6, 0.00297767/step Wall: 4840.6, 0.00297767/step, 2.79454 hours remaining, 206.636719 MB of memory in use. ENERGY: 1621400 713.0646 2114.7946 1938.3947 117.2977 -205976.1465 17742.0306 0.0000 0.0000 34240.4934 -149110.0709 299.0307 -183350.5643 -149023.0845 299.5205 3.7229 39.0628 557805.5941 6.1541 6.1811 PRESSURE: 1621600 -14.3114 30.7716 -11.7077 30.7712 -92.0449 -165.06 -11.7067 -165.06 108.061 GPRESSURE: 1621600 -5.67508 -10.5686 3.67912 81.2483 -42.9733 -189.862 13.0001 -238.69 160.702 PRESSAVG: 1621600 14.6331 42.8049 13.698 42.8048 7.98807 -11.2134 13.698 -11.2135 -47.1801 GPRESSAVG: 1621600 15.0226 42.0616 14.7877 41.4424 8.00112 -13.0977 12.1292 -9.70329 -46.9656 TIMING: 1621600 CPU: 4841.2, 0.0029819/step Wall: 4841.2, 0.0029819/step, 2.79834 hours remaining, 206.636719 MB of memory in use. ENERGY: 1621600 765.1081 2068.9232 1944.8295 123.5115 -206099.9563 17655.9449 0.0000 0.0000 34502.1105 -149039.5286 301.3155 -183541.6391 -148937.6904 299.8137 0.5682 37.3513 557245.5627 -8.1863 -7.9806 PRESSURE: 1621800 -194.135 -121.248 -113.456 -121.247 -232.12 -218.654 -113.456 -218.655 -304.171 GPRESSURE: 1621800 -246.219 -127.995 -187.494 -105.719 -150.456 -203.354 -106.968 -234.257 -232.708 PRESSAVG: 1621800 128.696 -3.70446 -24.1278 -3.70433 -59.5635 -42.6983 -24.1279 -42.6984 -46.4506 GPRESSAVG: 1621800 128.053 -3.0111 -25.6495 -3.83204 -58.2233 -41.0092 -22.4732 -41.6399 -47.0619 TIMING: 1621800 CPU: 4841.8, 0.00304378/step Wall: 4841.8, 0.00304378/step, 2.85625 hours remaining, 206.636719 MB of memory in use. ENERGY: 1621800 757.2601 2087.4574 1939.6700 116.4281 -205612.4142 17439.0244 0.0000 0.0000 34338.0865 -148934.4876 299.8830 -183272.5741 -148834.9003 300.4417 -243.4755 -209.7945 557917.1869 7.5607 7.5893 PRESSURE: 1622000 270.992 199.36 90.1433 199.359 149.368 -228.338 90.1436 -228.339 40.7615 GPRESSURE: 1622000 294.653 198.902 138.538 223.728 191.252 -161.245 48.2717 -155.73 71.0528 PRESSAVG: 1622000 27.8128 1.35919 46.1678 1.3592 -41.5882 -66.3125 46.1678 -66.3125 13.3636 GPRESSAVG: 1622000 28.8921 2.53073 47.0203 -0.155255 -41.5043 -67.7588 44.5478 -67.8497 12.674 TIMING: 1622000 CPU: 4842.41, 0.00301273/step Wall: 4842.41, 0.00301273/step, 2.82694 hours remaining, 206.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1622000 746.2608 2100.9635 1912.6243 133.4633 -206102.4395 17879.1731 0.0000 0.0000 34354.7851 -148975.1694 300.0289 -183329.9545 -148874.5936 300.3116 153.7073 185.6526 556933.3031 -0.1372 0.0206 PRESSURE: 1622200 127.514 -139.033 -55.0611 -139.033 35.549 -131.015 -55.0603 -131.014 41.2584 GPRESSURE: 1622200 172.781 -143.312 -12.0418 -64.0535 52.0045 -21.5465 -47.8005 -164.604 79.9906 PRESSAVG: 1622200 -46.1549 -2.69928 3.45147 -2.69933 65.6034 4.29644 3.45134 4.2965 -9.91264 GPRESSAVG: 1622200 -46.7595 -5.45043 -0.101553 0.889288 65.7645 4.84075 6.91087 4.78687 -9.09119 TIMING: 1622200 CPU: 4843.01, 0.00300112/step Wall: 4843.01, 0.00300112/step, 2.81588 hours remaining, 206.636719 MB of memory in use. ENERGY: 1622200 701.0206 2127.7672 1931.8099 111.1016 -206246.6747 17786.1147 0.0000 0.0000 34549.2496 -149039.6111 301.7272 -183588.8607 -148940.3574 300.3616 68.1071 101.5921 557185.1615 3.1786 3.3046 PRESSURE: 1622400 -241.65 -53.2448 53.0444 -53.2443 -193.178 81.8107 53.0452 81.8102 -218 GPRESSURE: 1622400 -142.746 -68.8858 95.4607 20.7811 -186.31 77.9049 0.135686 98.1838 -210.869 PRESSAVG: 1622400 -53.3951 -20.1892 -34.1379 -20.1892 -21.3265 30.1097 -34.138 30.1096 73.8506 GPRESSAVG: 1622400 -53.0964 -19.2747 -32.8175 -22.7388 -20.3695 28.253 -35.7371 31.138 72.422 TIMING: 1622400 CPU: 4843.61, 0.00299634/step Wall: 4843.61, 0.00299634/step, 2.81124 hours remaining, 206.636719 MB of memory in use. ENERGY: 1622400 784.8745 2052.6877 1932.5246 119.4880 -205697.9380 17472.0162 0.0000 0.0000 34345.5806 -148990.7663 299.9485 -183336.3469 -148892.1988 299.7688 -217.6091 -179.9748 558193.8490 -0.2903 -0.3480 PRESSURE: 1622600 433.764 -100.459 7.8307 -100.459 2.37394 114.788 7.82999 114.787 90.3318 GPRESSURE: 1622600 440.4 -91.0068 50.5886 -126.245 45.9157 28.1827 33.3972 178.741 140.474 PRESSAVG: 1622600 40.0654 4.03529 -26.1941 4.03514 1.96294 -16.5611 -26.1941 -16.5611 -69.4141 GPRESSAVG: 1622600 40.3649 3.8403 -26.1953 7.57096 0.726501 -13.9138 -24.9 -17.6699 -68.3883 TIMING: 1622600 CPU: 4844.21, 0.00300262/step Wall: 4844.21, 0.00300262/step, 2.81696 hours remaining, 206.636719 MB of memory in use. ENERGY: 1622600 731.8024 2077.5965 1913.8654 117.1794 -206158.8727 17909.8969 0.0000 0.0000 34357.8662 -149050.6658 300.0558 -183408.5320 -148947.5722 299.8491 175.4900 208.9298 556637.0467 -9.1286 -9.0990 PRESSURE: 1622800 147.827 22.8532 87.9943 22.8525 -15.662 -6.44697 87.9956 -6.44763 -14.3514 GPRESSURE: 1622800 169.109 -41.659 64.9288 67.982 -35.3679 -3.44765 144.683 21.1867 80.5822 PRESSAVG: 1622800 27.721 -73.891 58.7315 -73.8911 27.4241 9.85383 58.7316 9.85377 -17.4798 GPRESSAVG: 1622800 27.762 -71.6977 58.9547 -78.096 27.8466 10.1236 57.5969 9.01493 -17.669 TIMING: 1622800 CPU: 4844.81, 0.00300378/step Wall: 4844.81, 0.00300377/step, 2.81787 hours remaining, 206.636719 MB of memory in use. ENERGY: 1622800 762.6174 2094.9361 1935.1595 108.9145 -206119.4171 17848.8360 0.0000 0.0000 34265.8510 -149103.1026 299.2522 -183368.9536 -149005.2863 299.8320 39.2714 71.4411 557528.9510 12.5551 12.6466 PRESSURE: 1623000 -167.466 -117.749 106.959 -117.749 -72.6565 -20.9544 106.959 -20.9539 -100.951 GPRESSURE: 1623000 -139.126 -77.8303 96.1746 -93.2822 -57.7372 -24.7388 142.971 -8.32552 -52.8744 PRESSAVG: 1623000 -1.04778 -43.7837 15.8401 -43.7838 -39.4498 52.1885 15.84 52.1885 28.2765 GPRESSAVG: 1623000 -1.78043 -45.1938 15.3624 -42.2805 -39.5588 52.7887 15.314 53.9221 28.9023 TIMING: 1623000 CPU: 4845.41, 0.00299287/step Wall: 4845.41, 0.00299287/step, 2.80748 hours remaining, 206.636719 MB of memory in use. ENERGY: 1623000 773.0532 2154.5388 1909.5750 115.0906 -205992.0322 17612.0787 0.0000 0.0000 34455.4458 -148972.2501 300.9080 -183427.6959 -148871.8551 300.1163 -113.6912 -83.2457 558798.0294 -4.0737 -4.1456 PRESSURE: 1623200 -300.604 -75.0643 -158.691 -75.0648 -331.583 -9.20243 -158.689 -9.20085 -118.769 GPRESSURE: 1623200 -265.371 -91.4376 -188.712 -52.269 -324.281 14.9892 -94.6394 -38.2052 -83.7391 PRESSAVG: 1623200 87.7539 24.49 6.52806 24.49 -15.2907 4.90399 6.52803 4.90406 -27.8472 GPRESSAVG: 1623200 87.5775 23.8276 6.6781 23.2086 -15.0103 4.13838 7.35568 2.39603 -28.0998 TIMING: 1623200 CPU: 4846.01, 0.0030047/step Wall: 4846.01, 0.0030047/step, 2.8184 hours remaining, 206.636719 MB of memory in use. ENERGY: 1623200 733.5536 2143.1338 1932.9409 101.0166 -205345.9105 17321.6516 0.0000 0.0000 34341.2290 -148772.3850 299.9105 -183113.6140 -148673.8426 300.6076 -250.3185 -224.4638 559441.5637 14.8720 14.8225 PRESSURE: 1623400 161.355 167.33 -30.5168 167.329 1.93369 53.8992 -30.5161 53.899 26.2475 GPRESSURE: 1623400 217.557 171.553 10.6149 114.051 -28.849 42.8562 3.88601 91.6907 104.834 PRESSAVG: 1623400 -37.2765 -2.47318 20.574 -2.47313 -30.7912 -52.524 20.574 -52.524 10.1889 GPRESSAVG: 1623400 -37.1038 -1.75651 21.1112 -2.70562 -31.273 -53.0975 20.3114 -50.4611 10.6352 TIMING: 1623400 CPU: 4846.61, 0.00302331/step Wall: 4846.61, 0.00302331/step, 2.8357 hours remaining, 206.636719 MB of memory in use. ENERGY: 1623400 735.7044 2124.8398 1925.0882 115.1864 -205829.3438 17721.9799 0.0000 0.0000 34423.1141 -148783.4311 300.6256 -183206.5452 -148682.5047 301.1140 63.1786 97.8473 556348.2209 -19.2929 -19.2472 PRESSURE: 1623600 104.177 21.4884 -162.869 21.488 14.5881 -132.772 -162.869 -132.769 -208.919 GPRESSURE: 1623600 143.001 77.4666 -149.435 88.8601 26.9409 -92.4187 -89.9102 -106.824 -159.527 PRESSAVG: 1623600 74.9502 -36.809 -24.5287 -36.809 4.10473 -36.9045 -24.5287 -36.9043 -82.5605 GPRESSAVG: 1623600 75.9536 -38.163 -26.4514 -36.433 3.73437 -37.2252 -23.7792 -36.9617 -82.738 TIMING: 1623600 CPU: 4847.21, 0.00300309/step Wall: 4847.21, 0.00300309/step, 2.81656 hours remaining, 206.636719 MB of memory in use. ENERGY: 1623600 759.6194 2092.6201 1906.4748 111.2919 -205979.2311 17885.3377 0.0000 0.0000 34277.7913 -148946.0959 299.3565 -183223.8872 -148853.3050 300.2862 -30.0514 3.4715 558377.0332 -1.1685 -1.0167 PRESSURE: 1623800 -382.808 71.2162 93.8954 71.2166 -124.078 -128.848 93.8949 -128.849 -28.3342 GPRESSURE: 1623800 -315.764 116.174 109.767 57.2613 -59.8106 -131.724 150.84 -75.7634 -60.4024 PRESSAVG: 1623800 43.6632 7.2213 38.623 7.22132 -24.1496 -52.6276 38.6231 -52.6277 -10.8012 GPRESSAVG: 1623800 43.5512 7.42112 38.5221 7.10613 -23.8942 -51.0359 38.0981 -53.5476 -11.2581 TIMING: 1623800 CPU: 4847.82, 0.00301689/step Wall: 4847.82, 0.00301689/step, 2.82934 hours remaining, 206.636719 MB of memory in use. ENERGY: 1623800 797.7426 2101.3923 1914.8563 105.0758 -206054.7868 17614.8297 0.0000 0.0000 34484.0456 -149036.8444 301.1577 -183520.8901 -148940.2769 300.5089 -178.4068 -145.3257 558351.8802 2.9041 2.7996 PRESSURE: 1624000 -127.952 -154.945 4.2834 -154.945 -72.0163 -87.5493 4.28302 -87.5486 -157.288 GPRESSURE: 1624000 -65.6724 -182.437 -35.9275 -164.015 -21.9221 -175.48 16.7407 -39.4961 -156.077 PRESSAVG: 1624000 19.2491 -25.8257 -22.5031 -25.8258 14.9353 -12.3321 -22.5031 -12.332 -16.8519 GPRESSAVG: 1624000 18.6829 -27.1386 -21.0757 -23.2537 14.3472 -12.7574 -23.7457 -13.0427 -15.8285 TIMING: 1624000 CPU: 4848.42, 0.00300835/step Wall: 4848.42, 0.00300835/step, 2.82116 hours remaining, 206.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1624000 779.2451 2044.9830 1918.7860 115.1584 -205996.1491 17725.6756 0.0000 0.0000 34459.6023 -148952.6987 300.9443 -183412.3010 -148843.0048 299.8466 -119.0857 -81.2238 558874.9173 5.7775 5.7339 PRESSURE: 1624200 -27.9943 -77.0097 -86.5055 -77.0092 255.973 -48.9137 -86.5049 -48.9136 76.7026 GPRESSURE: 1624200 18.3361 -59.1048 -66.2283 -83.9658 297.597 -28.445 -159.492 12.3469 78.3025 PRESSAVG: 1624200 34.6175 -13.0057 14.2392 -13.0057 16.9432 7.71221 14.2392 7.71225 -63.8969 GPRESSAVG: 1624200 33.3986 -12.6533 14.3061 -14.0818 16.9615 9.59929 15.1124 8.4372 -63.3978 TIMING: 1624200 CPU: 4849.02, 0.0030219/step Wall: 4849.02, 0.0030219/step, 2.8337 hours remaining, 206.636719 MB of memory in use. ENERGY: 1624200 761.6091 2046.3766 1916.5810 113.4750 -205963.8709 17824.5213 0.0000 0.0000 34335.0873 -148966.2206 299.8569 -183301.3079 -148874.4301 299.7116 101.5603 131.4119 557652.7704 -4.1121 -4.3459 LDB: ============= START OF LOAD BALANCING ============== 4852.57 LDB: ============== END OF LOAD BALANCING =============== 4852.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4852.57 LDB: ============= START OF LOAD BALANCING ============== 4852.87 LDB: Largest compute 4772 load 0.027912 is 23.6% of average load 0.118210 LDB: Average compute 0.001741 is 1.5% of average load 0.118210 LDB: TIME 4852.88 LOAD: AVG 0.11821 MAX 0.210474 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.406 MB LDB: TIME 4852.88 LOAD: AVG 0.11821 MAX 0.210474 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.406 MB LDB: TIME 4852.88 LOAD: AVG 0.11821 MAX 0.210474 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.406 MB LDB: ============== END OF LOAD BALANCING =============== 4852.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4852.88 PRESSURE: 1624400 -2.38862 75.0336 -100.049 75.0322 171.825 -250.978 -100.051 -250.977 -77.6999 GPRESSURE: 1624400 75.1003 89.1624 -119.606 55.9174 173.266 -218.527 -79.0037 -208.617 -65.3771 PRESSAVG: 1624400 47.0028 -46.4036 11.925 -46.4036 -4.96466 -53.8796 11.925 -53.8796 -67.1006 GPRESSAVG: 1624400 47.601 -45.2635 12.4095 -48.0505 -4.91825 -57.0095 9.94493 -52.5371 -68.1721 TIMING: 1624400 CPU: 4849.63, 0.00304988/step Wall: 4849.63, 0.00304988/step, 2.85977 hours remaining, 207.984375 MB of memory in use. ENERGY: 1624400 755.3074 2071.6311 1952.1010 103.1761 -206000.2929 17820.7050 0.0000 0.0000 34157.8929 -149139.4795 298.3094 -183297.3724 -149046.7303 298.6686 30.5787 60.9965 557213.6936 -8.3541 -8.4964 PRESSURE: 1624600 -36.6168 59.448 250.135 59.4491 2.27005 -100.157 250.136 -100.157 -339.511 GPRESSURE: 1624600 -38.0192 105.014 211.506 125.976 -3.63371 -64.4102 260.978 -98.2915 -245.042 PRESSAVG: 1624600 88.6952 -16.1107 18.9308 -16.1107 -23.965 -38.1892 18.9308 -38.1891 -38.8105 GPRESSAVG: 1624600 88.452 -14.2771 19.5099 -14.9881 -24.2873 -37.1157 19.9032 -40.0742 -38.2212 TIMING: 1624600 CPU: 4850.23, 0.00299378/step Wall: 4850.23, 0.00299378/step, 2.807 hours remaining, 208.187500 MB of memory in use. ENERGY: 1624600 728.4404 2080.9419 1944.9629 111.0499 -206231.7380 17661.8707 0.0000 0.0000 34303.1463 -149401.3260 299.5779 -183704.4723 -149303.1352 299.1679 -124.6192 -95.5649 557376.6378 8.6399 8.6478 PRESSURE: 1624800 194.862 141.228 14.5198 141.228 163.521 -115.133 14.5197 -115.133 181.078 GPRESSURE: 1624800 243.36 158.141 31.327 161.052 208.183 -2.19229 -60.1373 -180.586 193.796 PRESSAVG: 1624800 15.1653 -44.1526 23.6389 -44.1527 -13.9757 -47.906 23.639 -47.9059 10.8183 GPRESSAVG: 1624800 14.7492 -46.571 22.2668 -43.5411 -13.5645 -46.6485 23.7017 -47.9114 11.2696 TIMING: 1624800 CPU: 4850.83, 0.00299936/step Wall: 4850.83, 0.00299936/step, 2.81207 hours remaining, 208.187500 MB of memory in use. ENERGY: 1624800 746.2704 2043.9009 1918.0667 100.5863 -206334.5730 18110.6191 0.0000 0.0000 33991.7080 -149423.4217 296.8580 -183415.1296 -149331.2007 298.5845 179.8202 215.1129 557987.6884 4.0027 4.1514 PRESSURE: 1625000 -57.981 -23.3775 48.4784 -23.3767 -58.1884 81.4007 48.4789 81.4015 -13.7801 GPRESSURE: 1625000 24.43 34.78 41.2334 -60.6414 -22.7923 5.74591 34.1202 180.74 -48.7338 PRESSAVG: 1625000 33.457 12.9467 -23.6545 12.9466 14.1377 -1.85979 -23.6546 -1.85979 -24.0996 GPRESSAVG: 1625000 35.0985 13.0182 -23.8105 12.6681 12.8288 -3.35258 -23.6083 -1.74519 -24.4543 TIMING: 1625000 CPU: 4851.43, 0.00298168/step Wall: 4851.43, 0.00298168/step, 2.79532 hours remaining, 208.187500 MB of memory in use. ENERGY: 1625000 718.2467 2045.8185 1921.1368 110.2371 -206231.8913 17711.8823 0.0000 0.0000 34342.5293 -149382.0407 299.9218 -183724.5699 -149276.8834 299.0515 -43.3165 -15.6987 558643.7563 7.8317 7.8243 PRESSURE: 1625200 -126.964 73.6591 -86.8689 73.6592 -67.975 28.7464 -86.8689 28.746 -212.165 GPRESSURE: 1625200 -64.7931 173.622 -91.3648 6.30398 -110.466 11.3111 -74.106 54.6 -127.878 PRESSAVG: 1625200 4.76968 -8.25958 -5.7714 -8.25949 24.7415 23.7199 -5.77146 23.7199 -29.1726 GPRESSAVG: 1625200 4.10115 -9.86942 -6.63919 -8.39528 24.6681 22.1392 -4.29419 24.5594 -28.5075 TIMING: 1625200 CPU: 4852.02, 0.00298055/step Wall: 4852.02, 0.00298055/step, 2.7941 hours remaining, 208.187500 MB of memory in use. ENERGY: 1625200 753.0898 2078.8242 1933.8401 116.3257 -206005.5139 17626.7365 0.0000 0.0000 34026.2554 -149470.4421 297.1598 -183496.6975 -149371.5509 298.9655 -135.7014 -101.0457 557993.8967 0.1128 0.0873 PRESSURE: 1625400 -172.695 -19.4519 180.327 -19.452 -327.199 -118.645 180.328 -118.645 -431.822 GPRESSURE: 1625400 -183.708 -32.0244 220.373 0.131335 -287.157 -43.1063 133.596 -191.779 -348.581 PRESSAVG: 1625400 36.2217 -49.4581 -32.9337 -49.4581 4.44608 -29.4393 -32.9337 -29.4394 9.83658 GPRESSAVG: 1625400 35.8268 -45.8774 -29.8522 -49.6465 5.93123 -29.3324 -35.6768 -29.3832 8.92085 TIMING: 1625400 CPU: 4852.62, 0.002998/step Wall: 4852.62, 0.002998/step, 2.81029 hours remaining, 208.187500 MB of memory in use. ENERGY: 1625400 733.4901 2058.0265 1945.7024 119.7067 -205730.2230 17359.2008 0.0000 0.0000 34239.7022 -149274.3944 299.0238 -183514.0965 -149178.1462 298.8457 -310.5718 -273.1488 559224.6382 16.8348 16.8929 PRESSURE: 1625600 234.017 77.8124 15.7921 77.8124 23.7924 103.55 15.7904 103.55 -61.4427 GPRESSURE: 1625600 246.28 117.942 47.3413 21.3446 57.3257 109.674 -8.04455 145.898 -16.6546 PRESSAVG: 1625600 9.8788 -32.7122 10.2247 -32.7122 24.9643 -18.0965 10.2247 -18.0964 -30.8762 GPRESSAVG: 1625600 10.2303 -33.2386 9.41564 -32.839 24.0956 -16.3993 10.7588 -19.254 -30.5162 TIMING: 1625600 CPU: 4853.22, 0.00299814/step Wall: 4853.22, 0.00299814/step, 2.81026 hours remaining, 208.187500 MB of memory in use. ENERGY: 1625600 734.2447 2078.4052 1942.3384 113.8439 -206296.1899 17919.6485 0.0000 0.0000 34194.2747 -149313.4344 298.6271 -183507.7091 -149216.3331 299.0667 65.4556 95.6504 558005.6825 1.3223 1.2699 PRESSURE: 1625800 -76.4252 -56.0942 38.6883 -56.0936 13.6627 163.449 38.6887 163.45 -121.016 GPRESSURE: 1625800 4.06575 -71.5457 -23.7282 38.1113 25.8816 83.163 29.182 261.745 -121.966 PRESSAVG: 1625800 -47.8559 9.70744 -25.3303 9.70749 40.6359 6.25335 -25.3303 6.25337 -22.4699 GPRESSAVG: 1625800 -47.8441 8.72707 -28.3634 9.73767 41.0648 5.23348 -22.8374 8.94516 -22.8465 TIMING: 1625800 CPU: 4853.82, 0.00301095/step Wall: 4853.82, 0.00301095/step, 2.82209 hours remaining, 208.187500 MB of memory in use. ENERGY: 1625800 718.9794 2058.0488 1957.3170 97.5917 -205942.4215 17678.9908 0.0000 0.0000 34055.5852 -149375.9087 297.4159 -183431.4939 -149281.1090 298.2188 -61.2595 -30.6728 558870.0832 -9.8966 -9.8752 PRESSURE: 1626000 -318.42 119.703 43.3911 119.703 -168.312 -87.8952 43.3908 -87.8952 84.6727 GPRESSURE: 1626000 -285.229 186.453 121.891 62.8714 -139.478 -168.149 -4.82749 -51.5097 118.113 PRESSAVG: 1626000 26.5482 -12.1231 38.3409 -12.1231 46.0207 -5.41315 38.3409 -5.41324 -22.7486 GPRESSAVG: 1626000 27.1956 -10.6083 39.2746 -13.6728 45.6466 -5.78684 35.7398 -8.03099 -23.0855 TIMING: 1626000 CPU: 4854.42, 0.00299917/step Wall: 4854.42, 0.00299917/step, 2.81088 hours remaining, 208.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1626000 778.6195 2078.5334 1927.5421 109.3899 -205914.0797 17697.9246 0.0000 0.0000 34085.0806 -149236.9896 297.6735 -183322.0703 -149134.6752 298.8005 -134.0199 -102.1980 558636.1596 16.6068 16.5856 PRESSURE: 1626200 -511.556 98.7895 150.264 98.7897 68.5388 -93.5183 150.263 -93.5166 5.17926 GPRESSURE: 1626200 -429.731 82.0792 127.916 119.616 56.6058 -19.8535 105.641 -114.399 43.4012 PRESSAVG: 1626200 -34.3338 28.3499 42.7885 28.3499 43.723 -16.9835 42.7885 -16.9834 -20.1695 GPRESSAVG: 1626200 -33.3722 28.1133 43.5838 31.6779 43.2354 -15.8017 43.2076 -16.8109 -19.5443 TIMING: 1626200 CPU: 4855.02, 0.00298733/step Wall: 4855.02, 0.00298733/step, 2.79962 hours remaining, 208.187500 MB of memory in use. ENERGY: 1626200 741.2992 2073.6118 1929.9767 111.0492 -205833.8568 17618.8047 0.0000 0.0000 34066.1420 -149292.9732 297.5081 -183359.1152 -149195.4597 298.6190 -145.9460 -109.9080 558817.2263 -3.5934 -3.2270 PRESSURE: 1626400 53.1478 17.4997 118.912 17.5003 75.5063 70.564 118.911 70.5636 -142.321 GPRESSURE: 1626400 63.2992 -74.5997 9.77443 7.76171 136.183 26.7886 253.076 94.6574 -111.497 PRESSAVG: 1626400 -65.3991 56.6959 -23.0182 56.6958 38.7529 -26.2704 -23.0182 -26.2704 0.734975 GPRESSAVG: 1626400 -66.383 55.5435 -24.754 54.4688 39.8169 -26.2063 -22.0792 -26.8514 0.76704 TIMING: 1626400 CPU: 4855.62, 0.00301238/step Wall: 4855.62, 0.00301238/step, 2.82294 hours remaining, 208.187500 MB of memory in use. ENERGY: 1626400 722.5134 2067.4572 1946.6233 114.8589 -205775.7913 17677.4052 0.0000 0.0000 33903.8288 -149343.1044 296.0906 -183246.9333 -149245.7731 298.7600 -4.5556 29.3283 558092.9260 -8.6371 -8.5997 PRESSURE: 1626600 7.18027 40.2781 57.0836 40.2784 -16.6509 -38.1116 57.0818 -38.1112 245.019 GPRESSURE: 1626600 83.5089 -22.9781 14.8658 79.3461 -6.22778 70.0339 133.505 -74.6531 249.04 PRESSAVG: 1626600 2.9223 -6.49166 -37.755 -6.49151 0.351346 -26.4866 -37.755 -26.4867 -16.9964 GPRESSAVG: 1626600 2.62719 -5.90881 -37.7183 -7.33472 0.885711 -27.36 -37.2714 -25.9361 -16.8684 TIMING: 1626600 CPU: 4856.23, 0.00301078/step Wall: 4856.23, 0.00301078/step, 2.82127 hours remaining, 208.187500 MB of memory in use. ENERGY: 1626600 768.6736 2053.3043 1938.3707 119.2599 -206552.8998 18080.6665 0.0000 0.0000 34315.5387 -149277.0861 299.6861 -183592.6248 -149185.6941 298.6883 78.5161 108.7736 558196.5914 -4.5743 -4.4518 PRESSURE: 1626800 162.864 84.3143 60.5858 84.314 150.249 -93.6486 60.5856 -93.649 318.784 GPRESSURE: 1626800 209.488 9.07735 14.6844 97.4586 185.575 -170.371 114.045 -39.0301 321.547 PRESSAVG: 1626800 71.2266 61.7813 -19.1801 61.7813 -11.0503 31.9755 -19.1802 31.9755 -19.752 GPRESSAVG: 1626800 71.8563 61.8439 -16.2903 62.3627 -11.3506 31.1334 -20.9915 33.362 -19.7702 TIMING: 1626800 CPU: 4856.83, 0.00301486/step Wall: 4856.83, 0.00301486/step, 2.82493 hours remaining, 208.187500 MB of memory in use. ENERGY: 1626800 729.6217 2088.4982 1954.3500 103.9652 -206483.0782 18181.7444 0.0000 0.0000 34387.3391 -149037.5597 300.3132 -183424.8988 -148951.5613 299.5873 210.6326 238.8699 558130.2962 13.4748 13.5785 PRESSURE: 1627000 -335.278 -29.2895 69.2549 -29.2874 138.493 -150.135 69.2564 -150.136 -176.292 GPRESSURE: 1627000 -298.486 -30.59 63.8501 -62.6493 178.825 -184.013 36.9094 -88.6124 -160.032 PRESSAVG: 1627000 -54.0095 36.8687 25.9139 36.8687 71.2489 -1.99283 25.9139 -1.99281 -18.3201 GPRESSAVG: 1627000 -53.5433 36.1109 24.6868 36.3709 70.6397 -0.885017 27.966 -3.86823 -17.6289 TIMING: 1627000 CPU: 4857.42, 0.00297064/step Wall: 4857.42, 0.00297064/step, 2.78333 hours remaining, 208.187500 MB of memory in use. ENERGY: 1627000 759.4613 2101.8462 1935.9723 117.6021 -206045.3385 17640.3649 0.0000 0.0000 34212.7446 -149277.3471 298.7884 -183490.0917 -149185.8737 299.1931 -124.3590 -93.2309 558211.7314 -0.3602 -0.1775 PRESSURE: 1627200 129.945 306.543 211.312 306.543 102.14 -36.9894 211.314 -36.9911 -1.66335 GPRESSURE: 1627200 216.484 283.063 173.483 315.083 100.079 -108.17 243.3 71.0714 -6.37145 PRESSAVG: 1627200 23.9417 -28.7604 77.7617 -28.7604 -32.0597 -68.2549 77.7618 -68.2549 13.6823 GPRESSAVG: 1627200 22.2224 -28.0963 79.0934 -27.9583 -30.4854 -68.0224 76.0739 -67.5072 14.032 TIMING: 1627200 CPU: 4858.02, 0.00297266/step Wall: 4858.02, 0.00297266/step, 2.78505 hours remaining, 208.187500 MB of memory in use. ENERGY: 1627200 721.2326 2078.2574 1922.5924 108.8630 -206340.8824 17877.5192 0.0000 0.0000 34336.6553 -149295.7624 299.8706 -183632.4177 -149196.3747 299.5230 76.8072 103.3971 557767.3129 1.8548 1.9230 PRESSURE: 1627400 -260.968 -50.078 -42.6238 -50.0766 -174.656 -184.984 -42.6234 -184.985 -33.9346 GPRESSURE: 1627400 -255.585 -55.1942 -37.937 -117.397 -111.804 -223.101 -2.69357 -160.249 3.0603 PRESSAVG: 1627400 -10.1978 11.3304 36.2201 11.3305 2.90409 -61.0157 36.2201 -61.0158 26.9853 GPRESSAVG: 1627400 -9.86438 10.8904 34.1525 9.84064 2.39928 -59.9717 37.3569 -59.9535 27.1247 TIMING: 1627400 CPU: 4858.62, 0.00300485/step Wall: 4858.62, 0.00300485/step, 2.81504 hours remaining, 208.187500 MB of memory in use. ENERGY: 1627400 728.6125 2075.4196 1936.9482 116.5306 -206074.1860 17678.6194 0.0000 0.0000 34256.7155 -149281.3403 299.1724 -183538.0558 -149172.6356 298.8682 -156.5195 -121.4427 560361.0285 6.5639 6.5532 PRESSURE: 1627600 -188.394 81.993 82.0611 81.9934 0.322698 -47.4943 82.0611 -47.4929 11.0797 GPRESSURE: 1627600 -155.036 63.5376 211.338 93.0048 63.481 -64.937 19.1274 -90.9132 4.11848 PRESSAVG: 1627600 -16.5206 24.4183 26.9223 24.4182 -35.6272 -15.1318 26.9224 -15.1318 29.3213 GPRESSAVG: 1627600 -17.6422 26.1473 27.7683 23.9961 -35.569 -14.3126 27.1296 -17.7523 29.9859 TIMING: 1627600 CPU: 4859.22, 0.00302678/step Wall: 4859.22, 0.00302678/step, 2.83542 hours remaining, 208.187500 MB of memory in use. ENERGY: 1627600 740.4293 2082.9313 1944.5596 118.1881 -206220.8249 17829.2074 0.0000 0.0000 34147.4044 -149358.1048 298.2178 -183505.5092 -149258.9866 299.0396 -58.9971 -29.1456 559381.5958 -7.6088 -7.7418 PRESSURE: 1627800 -21.1392 40.0613 100.195 40.0612 -84.3701 -27.4393 100.195 -27.4393 118.154 GPRESSURE: 1627800 18.5147 -11.9666 210.689 -10.7299 -55.5015 7.67132 66.6029 -109.724 133.864 PRESSAVG: 1627800 -36.9155 -11.1801 13.0166 -11.1801 6.03929 -3.38861 13.0166 -3.38854 31.8989 GPRESSAVG: 1627800 -34.992 -12.833 13.0478 -11.0111 5.04073 -1.77717 14.645 -3.10353 30.5142 TIMING: 1627800 CPU: 4859.82, 0.00298622/step Wall: 4859.82, 0.00298622/step, 2.79726 hours remaining, 208.187500 MB of memory in use. ENERGY: 1627800 727.1359 2090.2446 1970.4667 101.9865 -206623.1186 18063.7027 0.0000 0.0000 34268.3524 -149401.2297 299.2740 -183669.5821 -149296.7345 298.3385 4.2151 32.2923 558211.3019 0.3409 0.1876 PRESSURE: 1628000 -98.4045 24.0904 -29.7884 24.0905 -170.745 -7.15481 -29.789 -7.15361 -160.492 GPRESSURE: 1628000 -54.8571 111.101 -47.5 13.4559 -118.113 0.307527 -3.25762 26.3226 -155.737 PRESSAVG: 1628000 -79.7019 9.14402 32.7505 9.14401 -45.0199 -48.2358 32.7505 -48.2358 77.1685 GPRESSAVG: 1628000 -79.9375 10.2341 34.4827 8.02842 -45.2382 -52.3473 30.6245 -47.8135 77.7069 TIMING: 1628000 CPU: 4860.42, 0.0029749/step Wall: 4860.42, 0.0029749/step, 2.78649 hours remaining, 208.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1628000 752.1289 2051.1930 1945.8867 105.4233 -206486.3839 17759.9037 0.0000 0.0000 34444.1661 -149427.6821 300.8095 -183871.8482 -149334.7839 299.2459 -143.2135 -109.5689 557924.9136 -15.8511 -15.8229 PRESSURE: 1628200 163.477 -33.9731 60.8308 -33.9728 37.4027 -99.4263 60.8327 -99.4264 269.375 GPRESSURE: 1628200 214.224 -55.7743 -19.2803 -129.212 35.1003 -116.17 141.117 33.4504 324.135 PRESSAVG: 1628200 -42.038 -27.0273 40.8104 -27.0274 -3.86213 -2.83339 40.8103 -2.83346 34.4556 GPRESSAVG: 1628200 -42.6541 -26.7974 40.7842 -25.8382 -4.33089 -1.76189 42.6605 -2.37012 35.6076 TIMING: 1628200 CPU: 4861.01, 0.00298774/step Wall: 4861.01, 0.00298774/step, 2.79835 hours remaining, 208.187500 MB of memory in use. ENERGY: 1628200 726.7234 2085.9880 1953.2219 109.6959 -206467.5805 18089.6452 0.0000 0.0000 34111.5528 -149390.7532 297.9047 -183502.3060 -149293.2214 299.4432 156.7517 191.1530 557128.2887 -3.8149 -3.7925 LDB: ============= START OF LOAD BALANCING ============== 4864.56 LDB: ============== END OF LOAD BALANCING =============== 4864.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4864.56 LDB: ============= START OF LOAD BALANCING ============== 4864.86 LDB: Largest compute 4772 load 0.028516 is 24.1% of average load 0.118167 LDB: Average compute 0.001746 is 1.5% of average load 0.118167 LDB: TIME 4864.87 LOAD: AVG 0.118167 MAX 0.209632 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.605 MB LDB: TIME 4864.87 LOAD: AVG 0.118167 MAX 0.209632 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.609 MB LDB: TIME 4864.87 LOAD: AVG 0.118167 MAX 0.209632 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.609 MB LDB: ============== END OF LOAD BALANCING =============== 4864.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4864.87 PRESSURE: 1628400 143.708 -24.8409 59.6765 -24.8399 -131.266 151.532 59.6764 151.532 -125.932 GPRESSURE: 1628400 208.057 -86.622 100.609 -35.9436 -112.496 185.393 120.394 107.996 -119.879 PRESSAVG: 1628400 9.56719 -19.0436 48.1198 -19.0437 -15.5221 -24.8801 48.1197 -24.8801 -11.9982 GPRESSAVG: 1628400 10.5098 -18.7642 45.8105 -18.5046 -14.619 -24.8675 47.2904 -24.4121 -13.5608 TIMING: 1628400 CPU: 4861.62, 0.00304344/step Wall: 4861.62, 0.00304345/step, 2.85036 hours remaining, 207.410156 MB of memory in use. ENERGY: 1628400 759.5386 2079.6610 1935.2967 127.1698 -206533.1254 17964.8669 0.0000 0.0000 34289.9096 -149376.6827 299.4623 -183666.5923 -149279.1995 299.1735 -37.8304 -8.1059 557854.4585 -5.9843 -5.8900 PRESSURE: 1628600 -215.275 -10.5138 12.8784 -10.5144 -210.516 98.4805 12.8775 98.4793 -248.924 GPRESSURE: 1628600 -150.873 -45.5974 26.5297 -8.09426 -231.792 83.8644 67.2197 142.726 -195.27 PRESSAVG: 1628600 41.6536 -32.5366 64.0683 -32.5367 -28.7884 9.10929 64.0682 9.10943 -46.2884 GPRESSAVG: 1628600 41.5001 -35.3871 65.9641 -31.5569 -28.5302 8.62984 64.0551 10.5372 -46.5766 TIMING: 1628600 CPU: 4862.22, 0.00298257/step Wall: 4862.22, 0.00298257/step, 2.79318 hours remaining, 207.609375 MB of memory in use. ENERGY: 1628600 734.7939 2048.5660 1968.1616 102.1976 -206237.8496 17557.1360 0.0000 0.0000 34395.9798 -149431.0146 300.3886 -183826.9945 -149323.9500 298.9588 -224.9047 -192.6450 558571.4551 -11.1411 -11.2023 PRESSURE: 1628800 157.425 -10.4239 106.41 -10.4237 -129.713 17.81 106.41 17.8092 144.756 GPRESSURE: 1628800 155.673 69.9914 48.5784 -63.3374 -37.3489 -9.13905 148.308 -45.5106 153.722 PRESSAVG: 1628800 8.81893 -46.8711 31.2794 -46.8712 -1.28802 31.8125 31.2794 31.8125 39.2374 GPRESSAVG: 1628800 8.90057 -45.8827 29.1745 -47.8963 -1.80142 31.694 29.8706 30.9491 39.5983 TIMING: 1628800 CPU: 4862.82, 0.00299182/step Wall: 4862.82, 0.00299182/step, 2.80168 hours remaining, 207.609375 MB of memory in use. ENERGY: 1628800 768.8742 2064.4191 1945.8633 133.4725 -206281.3107 17904.4498 0.0000 0.0000 34063.9863 -149400.2455 297.4893 -183464.2318 -149307.1134 298.9431 57.4894 90.6820 556744.1741 15.5894 15.5658 PRESSURE: 1629000 78.3138 10.113 -113.746 10.1115 -93.5012 -212.676 -113.744 -212.676 -291.627 GPRESSURE: 1629000 120.197 -10.732 -100.208 70.7969 -84.9031 -191.476 -28.1429 -90.7096 -235.404 PRESSAVG: 1629000 -3.55655 -1.61098 -12.3682 -1.61096 -17.5163 -14.3352 -12.3681 -14.3352 -12.9005 GPRESSAVG: 1629000 -4.16026 -0.980194 -12.4299 -0.856925 -17.1258 -13.4384 -10.8252 -11.9511 -12.946 TIMING: 1629000 CPU: 4863.42, 0.0030214/step Wall: 4863.42, 0.0030214/step, 2.82921 hours remaining, 207.609375 MB of memory in use. ENERGY: 1629000 723.9142 2060.4258 1918.6781 120.5850 -205826.7096 17437.2891 0.0000 0.0000 34374.2855 -149191.5319 300.1992 -183565.8174 -149089.5560 298.9021 -102.2715 -66.7032 556688.5658 -11.3244 -11.4107 PRESSURE: 1629200 -246.077 81.2948 41.5095 81.2947 215.939 -57.8268 41.5109 -57.8261 149.23 GPRESSURE: 1629200 -150.925 17.903 59.9845 85.1486 214.781 -41.8103 35.839 -36.5175 152.252 PRESSAVG: 1629200 0.694789 21.5576 -61.5975 21.5575 24.9299 -44.7975 -61.5975 -44.7975 25.1643 GPRESSAVG: 1629200 1.18457 21.1496 -61.0102 21.9516 24.8843 -45.3109 -60.831 -47.5637 25.2642 TIMING: 1629200 CPU: 4864.02, 0.00300875/step Wall: 4864.02, 0.00300875/step, 2.81719 hours remaining, 207.609375 MB of memory in use. ENERGY: 1629200 744.0544 2069.3635 1932.5588 114.9565 -206256.5356 17803.7455 0.0000 0.0000 34520.4059 -149071.4511 301.4753 -183591.8570 -148969.2353 300.1389 39.6974 72.0361 557497.8206 16.9296 17.1110 PRESSURE: 1629400 -392.193 -39.5448 -20.6987 -39.5448 -303.294 -6.30341 -20.6993 -6.30452 -387.114 GPRESSURE: 1629400 -344.277 -65.7846 -53.2188 18.5569 -245.611 -46.6089 -60.0422 57.3718 -385.735 PRESSAVG: 1629400 29.7377 -30.7373 -47.5466 -30.7373 5.80155 5.51634 -47.5466 5.51643 -44.0919 GPRESSAVG: 1629400 30.6925 -30.0401 -46.1372 -32.0775 5.38336 5.00836 -49.1118 5.48921 -44.864 TIMING: 1629400 CPU: 4864.62, 0.0030029/step Wall: 4864.62, 0.0030029/step, 2.81155 hours remaining, 207.609375 MB of memory in use. ENERGY: 1629400 716.9103 2089.8087 1911.6344 116.3502 -205534.6489 17260.2837 0.0000 0.0000 34188.8254 -149250.8362 298.5795 -183439.6616 -149157.4327 299.7929 -360.8670 -325.2076 559296.3257 -2.8509 -2.9294 PRESSURE: 1629600 53.3904 196.684 -19.653 196.686 -153.884 -3.30232 -19.6536 -3.30238 -366.052 GPRESSURE: 1629600 16.3796 243.238 -13.9423 160.205 -99.2835 26.1664 -5.88188 -40.3038 -298.712 PRESSAVG: 1629600 51.3283 9.38523 29.4135 9.38533 -3.36963 -1.4232 29.4135 -1.42325 -66.0067 GPRESSAVG: 1629600 49.7721 7.89633 31.149 11.4467 -2.27517 -0.193453 27.7958 -3.31062 -66.1734 TIMING: 1629600 CPU: 4865.23, 0.00303606/step Wall: 4865.23, 0.00303606/step, 2.84243 hours remaining, 207.609375 MB of memory in use. ENERGY: 1629600 760.4357 2129.1401 1938.5348 97.8278 -206048.3144 17682.6109 0.0000 0.0000 34087.6197 -149352.1456 297.6957 -183439.7652 -149253.5143 299.3977 -155.5152 -127.2053 558978.4970 -6.0160 -6.2255 PRESSURE: 1629800 -234.249 -220.749 99.3568 -220.749 -89.2703 36.0226 99.357 36.0218 -222.853 GPRESSURE: 1629800 -125.915 -185.354 201.438 -256.71 -102.14 119.837 156.198 -42.8489 -218.707 PRESSAVG: 1629800 -35.8935 -43.8683 -7.25116 -43.8683 17.4915 -32.1349 -7.25105 -32.135 19.0963 GPRESSAVG: 1629800 -35.4518 -41.9484 -12.3126 -45.9199 16.3823 -32.3015 -3.53839 -29.5874 19.5828 TIMING: 1629800 CPU: 4865.83, 0.00298952/step Wall: 4865.83, 0.00298952/step, 2.79869 hours remaining, 207.609375 MB of memory in use. ENERGY: 1629800 762.5738 2047.7712 1911.2534 114.3345 -206055.8631 17707.6886 0.0000 0.0000 34405.3849 -149106.8566 300.4708 -183512.2415 -149015.8058 298.8265 -182.1241 -148.9206 559224.2575 0.2314 0.1711 PRESSURE: 1630000 -549.702 -7.96415 198.486 -7.96413 1.94658 7.02678 198.485 7.02765 -39.8593 GPRESSURE: 1630000 -424.454 14.6553 254.716 15.1976 -35.3734 -2.69742 57.5109 -28.1615 -29.308 PRESSAVG: 1630000 14.1355 1.9024 39.8755 1.90243 -36.3408 19.0183 39.8755 19.0182 -15.9036 GPRESSAVG: 1630000 13.882 1.4644 40.7348 2.55765 -36.7804 22.0863 38.6429 16.8046 -16.4238 TIMING: 1630000 CPU: 4866.43, 0.0030039/step Wall: 4866.43, 0.0030039/step, 2.81199 hours remaining, 207.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1630000 747.8778 2070.0364 1933.3588 98.6966 -206143.0517 17591.1305 0.0000 0.0000 34401.6042 -149300.3474 300.4378 -183701.9516 -149201.0932 299.7828 -195.8716 -163.0451 558144.6309 -12.7030 -13.1074 PRESSURE: 1630200 -33.4773 228.282 -64.0632 228.282 118.173 49.1327 -64.0648 49.1302 164.461 GPRESSURE: 1630200 -26.2842 208.453 -52.4847 289.324 149.584 -9.66613 -43.7985 129.57 212.526 PRESSAVG: 1630200 28.1614 42.2372 -8.34167 42.2371 -10.1306 -16.4938 -8.34159 -16.4938 11.6063 GPRESSAVG: 1630200 27.3894 40.3478 -6.61385 41.9439 -10.0697 -17.964 -8.70495 -16.0716 11.6138 TIMING: 1630200 CPU: 4867.03, 0.00301822/step Wall: 4867.03, 0.00301822/step, 2.82522 hours remaining, 207.609375 MB of memory in use. ENERGY: 1630200 720.3374 2074.0927 1938.8105 117.5371 -206384.2213 17873.1522 0.0000 0.0000 34347.4337 -149312.8578 299.9647 -183660.2915 -149215.3647 299.4851 83.0524 111.9419 555204.6777 9.8790 9.6445 PRESSURE: 1630400 3.67959 72.7191 -95.2832 72.7175 43.5682 -79.5795 -95.2841 -79.5796 50.3097 GPRESSURE: 1630400 51.9293 96.0631 -29.2719 145.642 74.6323 -110.904 -158.67 -33.4193 74.8517 PRESSAVG: 1630400 22.6259 -11.7992 -40.3332 -11.7992 9.44047 -73.1669 -40.3331 -73.1669 -29.8035 GPRESSAVG: 1630400 21.911 -12.9209 -40.4728 -11.1322 9.7908 -74.1295 -40.6901 -71.4937 -29.2663 TIMING: 1630400 CPU: 4867.63, 0.00300267/step Wall: 4867.63, 0.00300267/step, 2.8105 hours remaining, 207.609375 MB of memory in use. ENERGY: 1630400 724.0512 2055.9668 1931.0844 109.4771 -205869.0835 17738.0025 0.0000 0.0000 33999.1718 -149311.3296 296.9232 -183310.5014 -149216.5904 298.3935 32.5192 67.1377 558061.6363 0.7543 0.8118 PRESSURE: 1630600 121.265 80.1427 -40.1374 80.1427 -34.5831 -230.771 -40.1389 -230.77 76.872 GPRESSURE: 1630600 105.106 75.5981 30.7166 33.9041 -50.9437 -230.475 33.9155 -174.709 202.577 PRESSAVG: 1630600 49.6676 3.16892 -22.3702 3.16889 37.2034 -42.1825 -22.3703 -42.1825 -40.9168 GPRESSAVG: 1630600 50.4875 4.36142 -23.4068 4.09407 35.404 -42.1252 -20.7506 -41.4341 -39.8689 TIMING: 1630600 CPU: 4868.23, 0.00299372/step Wall: 4868.23, 0.00299372/step, 2.80196 hours remaining, 207.609375 MB of memory in use. ENERGY: 1630600 737.1989 2042.2124 1922.8090 106.7665 -206294.3171 17918.7423 0.0000 0.0000 34147.2370 -149419.3510 298.2163 -183566.5880 -149322.7808 298.5275 54.5180 85.5797 558273.9283 15.3181 15.3409 PRESSURE: 1630800 1.60219 -7.52312 -19.3884 -7.52277 -129.112 -111.365 -19.3892 -111.365 -328.653 GPRESSURE: 1630800 12.4586 -105.601 -22.2215 79.4467 -67.7458 -21.8738 87.889 -163.022 -287.59 PRESSAVG: 1630800 -5.61059 24.7912 4.78832 24.7913 6.23177 -33.0953 4.78845 -33.0952 -1.76185 GPRESSAVG: 1630800 -5.69505 24.3486 5.72447 22.7471 7.47712 -34.0569 3.77161 -34.7716 -2.80656 TIMING: 1630800 CPU: 4868.83, 0.00298658/step Wall: 4868.83, 0.00298658/step, 2.79511 hours remaining, 207.609375 MB of memory in use. ENERGY: 1630800 701.6867 2111.5179 1919.5319 110.7550 -206080.1221 17576.4993 0.0000 0.0000 34251.6965 -149408.4347 299.1286 -183660.1312 -149314.8507 298.5773 -152.0540 -114.2924 558128.2614 -0.3802 -0.3415 PRESSURE: 1631000 -0.711824 -62.5608 24.0475 -62.5616 -299.637 7.47544 24.0475 7.47501 -141.667 GPRESSURE: 1631000 81.979 -114.249 -75.1184 -13.8433 -287.832 18.3427 21.9768 -57.2876 -138.06 PRESSAVG: 1631000 71.0383 3.90484 -9.31751 3.9048 -53.3561 3.63341 -9.31749 3.63339 10.7108 GPRESSAVG: 1631000 70.5566 4.31634 -12.0029 4.7025 -53.223 4.35451 -8.84435 3.79465 10.9004 TIMING: 1631000 CPU: 4869.43, 0.0029818/step Wall: 4869.43, 0.0029818/step, 2.79046 hours remaining, 207.609375 MB of memory in use. ENERGY: 1631000 767.9299 2093.9678 1932.5417 116.8148 -206045.2824 17534.7275 0.0000 0.0000 34198.7501 -149400.5505 298.6662 -183599.3006 -149302.3923 298.4976 -147.3385 -114.6377 557270.6745 9.4643 9.4114 PRESSURE: 1631200 258.202 155.319 -121.66 155.321 14.7536 26.3978 -121.66 26.3991 66.6915 GPRESSURE: 1631200 311.327 96.2897 -124.42 146.841 22.746 17.4665 -86.5282 56.5243 89.417 PRESSAVG: 1631200 11.2533 40.5282 -44.414 40.5283 -30.8733 21.3378 -44.414 21.3378 8.55246 GPRESSAVG: 1631200 11.1662 38.7003 -41.2161 42.4669 -29.4082 19.8363 -45.5331 21.6958 7.42251 TIMING: 1631200 CPU: 4870.02, 0.00298789/step Wall: 4870.02, 0.00298789/step, 2.796 hours remaining, 207.609375 MB of memory in use. ENERGY: 1631200 718.2028 2132.9005 1934.1761 100.6511 -206307.5408 17917.7310 0.0000 0.0000 34008.5078 -149495.3715 297.0048 -183503.8793 -149392.3443 298.4176 113.2157 141.1633 557040.7930 -3.6892 -3.6065 PRESSURE: 1631400 -5.01528 150.175 -13.8667 150.174 -305.807 39.1981 -13.8666 39.1976 -43.1077 GPRESSURE: 1631400 25.9103 173.981 -13.3494 155.615 -202.799 57.1995 -67.5722 -54.7453 -72.6956 PRESSAVG: 1631400 -17.1401 58.2051 -1.81805 58.205 -0.226915 -28.448 -1.81802 -28.4482 52.1056 GPRESSAVG: 1631400 -18.2648 61.6422 -3.82718 56.707 0.371684 -29.6755 -0.550952 -27.6135 52.119 TIMING: 1631400 CPU: 4870.62, 0.00299876/step Wall: 4870.62, 0.00299876/step, 2.80601 hours remaining, 207.609375 MB of memory in use. ENERGY: 1631400 722.5174 2098.7008 1954.6586 116.4456 -206108.8268 17598.2065 0.0000 0.0000 34164.6598 -149453.6380 298.3685 -183618.2979 -149360.0263 298.7093 -117.9765 -83.1946 558644.5209 11.5795 11.4086 PRESSURE: 1631600 -31.5984 47.6224 111.361 47.6203 -93.9157 62.5251 111.36 62.5251 -31.9619 GPRESSURE: 1631600 -0.0558141 116.228 190.109 46.2991 -108.133 63.1142 39.1158 -41.2461 43.9782 PRESSAVG: 1631600 -24.2374 34.105 11.0208 34.105 -45.1453 -13.0061 11.0208 -13.006 74.5535 GPRESSAVG: 1631600 -23.5093 31.0833 14.0947 36.7542 -45.3871 -10.8341 11.5522 -14.2227 74.0681 TIMING: 1631600 CPU: 4871.23, 0.00302006/step Wall: 4871.23, 0.00302006/step, 2.82577 hours remaining, 207.609375 MB of memory in use. ENERGY: 1631600 732.1362 2076.5965 1946.2564 109.4171 -206167.5138 17618.0772 0.0000 0.0000 34261.8616 -149423.1687 299.2174 -183685.0303 -149327.8621 298.2714 -52.4920 -21.4035 557396.3200 1.7236 1.7239 PRESSURE: 1631800 -97.8231 -176.215 97.0022 -176.214 -54.9434 14.6237 97.001 14.6239 261.261 GPRESSURE: 1631800 -68.8078 -148.303 178.217 -129.733 -52.9875 -52.6874 153.387 30.8286 325.068 PRESSAVG: 1631800 47.0098 41.6017 10.7503 41.6018 -35.6985 21.3324 10.7504 21.3323 24.9408 GPRESSAVG: 1631800 48.0733 43.1691 10.4708 38.0127 -37.1819 24.3175 8.31655 21.3449 25.39 TIMING: 1631800 CPU: 4871.83, 0.00300082/step Wall: 4871.83, 0.00300082/step, 2.8076 hours remaining, 207.609375 MB of memory in use. ENERGY: 1631800 750.0588 2143.6655 1960.3556 101.4912 -206246.9292 17677.7651 0.0000 0.0000 34360.4651 -149253.1278 300.0785 -183613.5929 -149150.3422 298.6405 36.1649 67.7574 556708.8199 12.0841 12.0938 PRESSURE: 1632000 3.23948 -88.657 -36.4474 -88.6567 154.346 -159.833 -36.4477 -159.834 -155.635 GPRESSURE: 1632000 18.6669 -29.7285 -40.06 -91.5636 175.325 -229.825 23.0879 -113.922 -101.78 PRESSAVG: 1632000 -2.65143 -24.1432 -24.7314 -24.1432 -57.7272 -0.26704 -24.7315 -0.26693 64.4563 GPRESSAVG: 1632000 -2.72411 -23.573 -27.2617 -22.8708 -57.4193 -2.95493 -22.1429 0.834795 64.1888 TIMING: 1632000 CPU: 4872.43, 0.00299979/step Wall: 4872.43, 0.00299979/step, 2.80647 hours remaining, 207.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1632000 731.2488 2066.8112 1967.8350 114.5162 -206171.2734 17867.5952 0.0000 0.0000 34179.7662 -149243.5009 298.5004 -183423.2671 -149146.2603 299.4563 0.6502 30.7372 557489.3547 1.3592 1.3485 PRESSURE: 1632200 -36.2316 82.1762 248.269 82.1744 -223.638 197.422 248.27 197.422 39.2936 GPRESSURE: 1632200 -39.0361 9.50717 136.178 35.8632 -137.156 126.194 258.808 188.172 49.7111 PRESSAVG: 1632200 16.5344 -4.47758 -15.5173 -4.47773 9.15503 -14.2301 -15.5173 -14.2302 11.1774 GPRESSAVG: 1632200 14.9367 -5.5555 -15.6597 -4.0259 9.76947 -12.9443 -18.4204 -13.9708 12.159 TIMING: 1632200 CPU: 4873.03, 0.00300679/step Wall: 4873.03, 0.00300679/step, 2.81285 hours remaining, 207.609375 MB of memory in use. ENERGY: 1632200 770.3845 2065.8219 1936.9985 119.3943 -205958.3017 17655.5111 0.0000 0.0000 34371.6128 -149038.5786 300.1758 -183410.1914 -148946.7353 299.9540 -73.5254 -42.1605 556266.1281 12.2889 12.2884 LDB: ============= START OF LOAD BALANCING ============== 4876.58 LDB: ============== END OF LOAD BALANCING =============== 4876.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4876.58 LDB: ============= START OF LOAD BALANCING ============== 4876.88 LDB: Largest compute 4773 load 0.027837 is 23.6% of average load 0.118105 LDB: Average compute 0.001744 is 1.5% of average load 0.118105 LDB: TIME 4876.88 LOAD: AVG 0.118105 MAX 0.210548 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 4876.88 LOAD: AVG 0.118105 MAX 0.210548 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 4876.88 LOAD: AVG 0.118105 MAX 0.210548 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4876.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4876.89 PRESSURE: 1632400 -131.637 -106.441 28.2672 -106.441 -211.731 -40.2403 28.2681 -40.2385 -229.048 GPRESSURE: 1632400 -113.196 -138.742 57.9594 -102.397 -192.396 -75.3152 95.2678 -6.4002 -173.675 PRESSAVG: 1632400 11.6298 29.3247 11.7747 29.3247 -13.1098 2.58112 11.7748 2.58107 32.1033 GPRESSAVG: 1632400 12.7807 27.1634 12.4215 30.0549 -13.9165 2.60814 12.3387 -0.20595 32.1384 TIMING: 1632400 CPU: 4873.64, 0.00305271/step Wall: 4873.64, 0.00305271/step, 2.85564 hours remaining, 208.765625 MB of memory in use. ENERGY: 1632400 739.7326 2137.7631 1957.8411 136.4346 -205923.4361 17611.6976 0.0000 0.0000 34331.4583 -149008.5087 299.8252 -183339.9670 -148913.2871 300.8286 -190.8053 -159.7556 558889.9261 10.2078 10.3342 PRESSURE: 1632600 169.3 2.33368 -28.0884 2.33258 110.95 -133.382 -28.0896 -133.383 -162.984 GPRESSURE: 1632600 186.34 68.312 -29.1814 -42.2846 133.555 -191.647 16.5052 -122.41 -93.6601 PRESSAVG: 1632600 20.7897 -0.541385 -11.4996 -0.541367 46.5928 -40.111 -11.4996 -40.111 -52.8836 GPRESSAVG: 1632600 21.6295 3.3484 -10.4962 -2.27809 45.3454 -41.0712 -12.1349 -38.6971 -52.2511 TIMING: 1632600 CPU: 4874.25, 0.00303243/step Wall: 4874.25, 0.00303243/step, 2.8365 hours remaining, 208.835938 MB of memory in use. ENERGY: 1632600 730.7066 2035.5161 1948.4157 105.4863 -205901.8558 17865.7508 0.0000 0.0000 34193.5805 -149022.3999 298.6210 -183215.9803 -148926.6936 300.2477 39.0885 75.4116 559195.3315 4.8330 4.9079 PRESSURE: 1632800 130.364 -28.9961 -183.049 -28.9967 -130.197 36.3512 -183.048 36.3502 155.04 GPRESSURE: 1632800 186.455 -55.7047 -119.363 -43.8621 -45.5187 -34.1086 -200.955 89.7696 132.902 PRESSAVG: 1632800 6.45292 -47.8845 -23.1962 -47.8845 -62.3309 -41.282 -23.1962 -41.282 19.4024 GPRESSAVG: 1632800 5.86016 -49.5003 -24.6967 -46.1903 -60.5313 -41.5288 -20.0394 -40.1531 18.0486 TIMING: 1632800 CPU: 4874.85, 0.00301638/step Wall: 4874.85, 0.00301638/step, 2.82132 hours remaining, 208.835938 MB of memory in use. ENERGY: 1632800 735.6324 2085.2970 1936.5191 106.2367 -205859.6968 17732.8719 0.0000 0.0000 34148.5506 -149114.5892 298.2278 -183263.1398 -149020.7380 299.3759 51.7356 91.2795 557492.7641 -12.1585 -12.2075 PRESSURE: 1633000 -72.426 -15.6698 147.463 -15.6699 -96.2328 -45.28 147.464 -45.2796 -33.5643 GPRESSURE: 1633000 -35.6307 -102.247 108.55 86.1229 -96.9813 3.95607 164.869 -42.5866 22.2471 PRESSAVG: 1633000 31.1085 6.45944 2.02333 6.45948 -43.4318 0.700887 2.02338 0.700867 6.76971 GPRESSAVG: 1633000 31.0616 6.12956 3.34912 5.98218 -44.9425 2.2417 0.108079 -0.78421 8.20118 TIMING: 1633000 CPU: 4875.45, 0.00301426/step Wall: 4875.45, 0.00301426/step, 2.81917 hours remaining, 208.835938 MB of memory in use. ENERGY: 1633000 750.9202 2024.1131 1950.7069 115.7267 -205817.0349 17713.9375 0.0000 0.0000 34192.4075 -149069.2230 298.6108 -183261.6306 -148967.5090 299.1919 -67.4077 -36.7883 558391.1827 -1.8512 -1.8932 PRESSURE: 1633200 207.747 48.5351 1.8126 48.5366 1.5188 34.2072 1.81165 34.2084 -278.519 GPRESSURE: 1633200 243.155 54.8393 -11.2111 42.1049 43.6142 19.852 -2.8287 58.6287 -264.008 PRESSAVG: 1633200 4.91639 -43.7521 -11.4623 -43.7522 4.80596 13.971 -11.4623 13.971 13.8003 GPRESSAVG: 1633200 4.22086 -45.0374 -9.22584 -43.5387 4.99418 14.3562 -13.7184 13.5047 13.7215 TIMING: 1633200 CPU: 4876.05, 0.00300078/step Wall: 4876.05, 0.00300078/step, 2.8064 hours remaining, 208.835938 MB of memory in use. ENERGY: 1633200 762.4621 2074.5006 1916.3399 125.9998 -205794.1243 17711.0332 0.0000 0.0000 34022.5545 -149181.2342 297.1274 -183203.7886 -149089.5806 299.7258 -23.0843 7.5869 560201.3211 7.8409 7.6455 PRESSURE: 1633400 -50.1482 -147.33 105.612 -147.329 -73.3673 -23.3589 105.61 -23.3592 139.84 GPRESSURE: 1633400 -17.1611 -120.86 122.939 -107.105 -48.0536 -93.757 121.689 -17.647 193.247 PRESSAVG: 1633400 75.2237 21.2645 17.273 21.2646 -7.26609 -7.98945 17.273 -7.98936 -21.9267 GPRESSAVG: 1633400 75.9954 23.7741 14.7611 20.4127 -6.77975 -8.19337 21.4789 -7.49506 -23.0512 TIMING: 1633400 CPU: 4876.65, 0.00299684/step Wall: 4876.65, 0.00299684/step, 2.80254 hours remaining, 208.835938 MB of memory in use. ENERGY: 1633400 745.0240 2124.8354 1969.6688 122.6807 -206264.3547 17936.3750 0.0000 0.0000 34265.9039 -149099.8670 299.2527 -183365.7708 -149007.1921 299.3555 5.4414 42.6774 558759.5407 15.3436 15.3881 PRESSURE: 1633600 -442.57 -52.1297 1.33251 -52.1298 -234.76 124.748 1.3316 124.746 -104.148 GPRESSURE: 1633600 -431.239 -120.032 -63.3252 85.0562 -176.89 63.4423 -24.7822 176.771 -68.1941 PRESSAVG: 1633600 -75.2307 17.9115 11.9152 17.9115 -2.96132 15.3785 11.9153 15.3784 58.8457 GPRESSAVG: 1633600 -75.6394 16.7753 13.0436 16.6703 -2.3631 14.2471 8.17066 15.6841 58.3356 TIMING: 1633600 CPU: 4877.25, 0.00299578/step Wall: 4877.25, 0.00299578/step, 2.80139 hours remaining, 208.835938 MB of memory in use. ENERGY: 1633600 758.8621 2124.6057 1964.0420 105.2337 -205505.7589 17392.4092 0.0000 0.0000 34027.8932 -149132.7129 297.1741 -183160.6062 -149038.6765 299.6116 -260.4923 -225.4411 558795.2329 -6.4488 -6.5556 PRESSURE: 1633800 25.8572 -26.9174 -113.976 -26.917 -103.268 -116.262 -113.976 -116.263 -189.419 GPRESSURE: 1633800 124.369 -80.9729 -100.338 24.3081 -71.0571 -82.7979 -172.078 -132.884 -224.21 PRESSAVG: 1633800 2.70137 40.2965 -17.4839 40.2966 6.42975 12.5428 -17.4839 12.5427 37.6124 GPRESSAVG: 1633800 3.60338 41.2189 -18.4411 40.5827 3.88182 11.9541 -16.0868 12.2282 39.0611 TIMING: 1633800 CPU: 4877.85, 0.00299308/step Wall: 4877.85, 0.00299308/step, 2.7987 hours remaining, 208.835938 MB of memory in use. ENERGY: 1633800 747.8731 2013.4504 1945.6433 105.1480 -205971.1691 17645.0609 0.0000 0.0000 34314.4569 -149199.5365 299.6767 -183513.9934 -149100.2087 299.2150 -88.9430 -56.9660 558892.6246 15.5812 15.5154 PRESSURE: 1634000 -113.553 -34.5374 99.1867 -34.538 -43.9885 -47.6766 99.1859 -47.6747 16.1814 GPRESSURE: 1634000 -103.904 -13.3853 135.672 -58.6402 -4.31822 8.97578 68.3357 -115.19 58.6527 PRESSAVG: 1634000 42.5907 24.2875 10.5155 24.2875 40.9137 39.9832 10.5156 39.9832 -70.3802 GPRESSAVG: 1634000 41.9898 22.6488 10.1433 24.4163 42.3056 41.9996 11.7024 37.747 -71.0645 TIMING: 1634000 CPU: 4878.45, 0.00299515/step Wall: 4878.45, 0.00299515/step, 2.80047 hours remaining, 208.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1634000 754.8099 2055.3309 1929.3759 107.2157 -206159.0366 17714.9896 0.0000 0.0000 34321.2582 -149276.0563 299.7361 -183597.3145 -149184.4709 299.5605 -47.1200 -16.5232 557089.1059 4.3747 4.4103 PRESSURE: 1634200 -181.109 182.107 72.5638 182.106 -42.2464 -84.4712 72.5639 -84.4717 -322.89 GPRESSURE: 1634200 -92.2453 195.927 120.426 218.484 -41.1318 -124.803 101.528 -20.0346 -311.168 PRESSAVG: 1634200 25.5443 15.5947 21.24 15.5947 53.5523 -38.5852 21.24 -38.5852 -82.4413 GPRESSAVG: 1634200 25.5295 17.9263 21.4865 15.0776 53.7203 -38.8935 21.1181 -36.7146 -82.7743 TIMING: 1634200 CPU: 4879.04, 0.00295668/step Wall: 4879.04, 0.00295668/step, 2.76433 hours remaining, 208.906250 MB of memory in use. ENERGY: 1634200 716.0649 2016.3010 1951.2904 108.5987 -205918.5633 17549.5417 0.0000 0.0000 34311.2142 -149265.5523 299.6484 -183576.7665 -149166.8389 298.9681 -182.0816 -148.1818 559581.6873 -1.1149 -1.1748 PRESSURE: 1634400 -94.5431 109.067 86.6793 109.066 142.479 230.043 86.6783 230.044 91.0287 GPRESSURE: 1634400 -51.3651 119.863 118.872 89.0974 135.121 299.698 17.5644 194.955 142.19 PRESSAVG: 1634400 -41.7985 5.91575 -25.2557 5.9156 62.2197 34.2261 -25.2558 34.2262 -30.1545 GPRESSAVG: 1634400 -41.9114 3.52819 -26.4293 6.44399 60.6474 34.2051 -25.3028 34.0504 -28.4801 TIMING: 1634400 CPU: 4879.63, 0.00297352/step Wall: 4879.63, 0.00297352/step, 2.77991 hours remaining, 208.906250 MB of memory in use. ENERGY: 1634400 699.8088 2085.4587 1928.7402 109.1776 -205996.8468 17746.4491 0.0000 0.0000 34168.2059 -149259.0066 298.3994 -183427.2125 -149165.3456 298.9944 46.3214 75.3153 557557.4766 -3.2445 -3.2480 PRESSURE: 1634600 55.5849 -34.4886 -176.761 -34.488 -181.374 67.911 -176.76 67.9104 -234.549 GPRESSURE: 1634600 82.8398 -93.7161 -67.9384 -77.5401 -183.933 102.178 -182.511 59.3374 -179.623 PRESSAVG: 1634600 25.8624 31.4744 -65.3031 31.4744 -42.2757 29.3408 -65.3032 29.3407 -11.0456 GPRESSAVG: 1634600 25.9528 32.7691 -63.661 31.0811 -41.3543 29.9951 -66.3654 29.7608 -11.9042 TIMING: 1634600 CPU: 4880.23, 0.00298681/step Wall: 4880.23, 0.00298681/step, 2.79217 hours remaining, 208.906250 MB of memory in use. ENERGY: 1634600 730.8682 2072.3553 1912.9230 114.8349 -206008.0209 17723.5014 0.0000 0.0000 34250.1422 -149203.3958 299.1150 -183453.5380 -149108.2011 299.2802 -120.1125 -93.5723 557776.2245 -9.1529 -9.1019 PRESSURE: 1634800 362.593 -99.4209 -39.4092 -99.4207 -110.987 -47.3417 -39.411 -47.3421 -31.2209 GPRESSURE: 1634800 373.553 -84.8735 -88.5429 -111.844 -93.6514 12.5476 -17.9768 -127.644 36.2011 PRESSAVG: 1634800 -30.2558 31.2932 5.02969 31.2931 7.36283 40.5682 5.0297 40.5682 52.7296 GPRESSAVG: 1634800 -30.7041 32.2922 3.43609 30.0649 8.05306 37.7321 6.0058 41.6962 52.3175 TIMING: 1634800 CPU: 4880.83, 0.00297575/step Wall: 4880.83, 0.00297575/step, 2.78166 hours remaining, 208.906250 MB of memory in use. ENERGY: 1634800 723.9871 2086.1164 1939.4705 117.3166 -206284.0281 17874.7961 0.0000 0.0000 34298.3741 -149243.9674 299.5362 -183542.3415 -149150.6717 299.2414 73.4620 105.3676 557483.7667 9.9455 9.8888 PRESSURE: 1635000 102.539 -89.0787 13.0076 -89.078 63.0755 58.9661 13.0054 58.9671 -194.136 GPRESSURE: 1635000 111.23 -19.4332 58.4027 -13.1048 94.2603 81.3852 13.8949 -15.5997 -134.562 PRESSAVG: 1635000 -33.4284 -4.71235 -24.5792 -4.71231 -10.5718 -12.4699 -24.5792 -12.47 38.2214 GPRESSAVG: 1635000 -33.3613 -4.94326 -22.2984 -4.90311 -10.5806 -8.7445 -25.4288 -16.1123 39.019 TIMING: 1635000 CPU: 4881.42, 0.00298513/step Wall: 4881.42, 0.00298513/step, 2.79026 hours remaining, 208.906250 MB of memory in use. ENERGY: 1635000 792.1841 2062.4412 1939.9314 108.2599 -206513.5070 17970.9864 0.0000 0.0000 34604.5930 -149035.1110 302.2105 -183639.7040 -148946.2156 299.6319 -9.5069 23.6428 558270.7789 -1.9262 -1.6410 PRESSURE: 1635200 99.5825 90.4377 -113.445 90.4375 188.997 -153.622 -113.445 -153.621 126.485 GPRESSURE: 1635200 169.156 142.79 -117.028 93.4292 227.361 -195.191 -206.294 -121.776 107.092 PRESSAVG: 1635200 -20.7041 -3.33949 -20.507 -3.33955 79.765 75.7919 -20.507 75.7919 -29.3081 GPRESSAVG: 1635200 -21.3152 -4.39148 -21.8936 -1.96327 81.2401 74.2227 -19.9075 76.8078 -29.6517 TIMING: 1635200 CPU: 4882.02, 0.00298872/step Wall: 4882.02, 0.00298872/step, 2.79346 hours remaining, 208.906250 MB of memory in use. ENERGY: 1635200 758.4257 2062.7585 1938.6221 108.0640 -206689.3639 18276.2696 0.0000 0.0000 34478.7393 -149066.4846 301.1114 -183545.2239 -148973.4299 299.6365 138.3549 167.8697 558384.5077 9.9176 10.0911 PRESSURE: 1635400 -88.6484 -72.6972 24.9522 -72.6966 -63.1509 -145.487 24.9516 -145.487 -166.364 GPRESSURE: 1635400 -154.843 24.785 19.9308 -83.4124 -4.50233 -139.764 38.075 -26.824 -72.4072 PRESSAVG: 1635400 -0.664393 -20.3022 6.21336 -20.3022 51.1842 43.7159 6.21336 43.7159 -39.1909 GPRESSAVG: 1635400 0.555951 -19.1318 5.44436 -20.4902 49.9092 41.4867 5.19377 46.9878 -39.0032 TIMING: 1635400 CPU: 4882.62, 0.00297886/step Wall: 4882.62, 0.00297886/step, 2.78407 hours remaining, 208.906250 MB of memory in use. ENERGY: 1635400 723.8160 2073.5985 1933.6113 115.5752 -205998.3850 17574.1426 0.0000 0.0000 34454.6173 -149123.0241 300.9007 -183577.6414 -149022.3110 299.5787 -106.0545 -77.2508 559271.5517 3.7763 3.8207 PRESSURE: 1635600 -33.639 104.86 -26.4808 104.86 119.585 -196.137 -26.4817 -196.137 131.333 GPRESSURE: 1635600 -16.3248 101.583 -31.7231 66.7008 163.988 -185.004 -90.8884 -92.6919 165.225 PRESSAVG: 1635600 4.67452 30.1562 -21.7439 30.1561 1.72467 22.8499 -21.7439 22.8499 -13.8494 GPRESSAVG: 1635600 5.0771 31.5436 -20.815 30.2651 1.80134 23.9074 -20.0391 22.7106 -14.121 TIMING: 1635600 CPU: 4883.22, 0.00301425/step Wall: 4883.22, 0.00301425/step, 2.81699 hours remaining, 208.906250 MB of memory in use. ENERGY: 1635600 749.8802 2058.8986 1935.0059 109.0155 -205932.9587 17844.0905 0.0000 0.0000 34223.7327 -149012.3353 298.8844 -183236.0680 -148917.1965 300.0828 72.4265 104.2963 557210.3010 -2.4834 -2.4142 PRESSURE: 1635800 -195.157 26.4232 -160.062 26.4242 220.577 -94.0545 -160.061 -94.0563 138.242 GPRESSURE: 1635800 -97.8864 -13.6581 -146.017 39.1941 239.62 -104.544 -206.453 -138.713 133.591 PRESSAVG: 1635800 -45.4462 14.0159 -7.20065 14.0159 25.8437 -1.33214 -7.20067 -1.33207 -10.947 GPRESSAVG: 1635800 -45.8514 13.5902 -10.1052 13.7814 26.0916 -1.47083 -6.33883 -2.47189 -10.5162 TIMING: 1635800 CPU: 4883.82, 0.00301079/step Wall: 4883.82, 0.00301079/step, 2.81359 hours remaining, 208.906250 MB of memory in use. ENERGY: 1635800 717.4253 2075.4034 1935.4633 112.0317 -206108.0564 17901.7340 0.0000 0.0000 34116.1469 -149249.8517 297.9448 -183365.9987 -149148.3968 299.4843 54.5541 91.7747 558090.1329 -10.1832 -10.0920 PRESSURE: 1636000 7.60988 -8.62829 121.529 -8.6274 -182.449 230.85 121.529 230.85 -73.4511 GPRESSURE: 1636000 14.2965 28.8853 -10.9388 15.4147 -95.3055 191.726 124.73 348.802 -69.6837 PRESSAVG: 1636000 25.8566 -21.1947 -36.4937 -21.1948 23.1666 42.2686 -36.4937 42.2687 -14.2975 GPRESSAVG: 1636000 26.3813 -24.0191 -35.4681 -20.928 22.189 45.0424 -36.1575 40.508 -14.3584 TIMING: 1636000 CPU: 4884.42, 0.00298963/step Wall: 4884.42, 0.00298963/step, 2.79364 hours remaining, 208.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1636000 743.3436 2034.1768 1976.6694 106.7912 -206146.5155 17784.1072 0.0000 0.0000 34116.1494 -149385.2778 297.9448 -183501.4272 -149290.1665 299.0212 -82.7633 -50.2309 556963.1266 11.5752 11.4040 PRESSURE: 1636200 55.9929 17.9109 1.86059 17.9102 63.8787 104.083 1.8591 104.082 62.222 GPRESSURE: 1636200 124.372 42.3263 10.917 27.6491 99.4562 86.2833 94.6231 127.419 53.9158 PRESSAVG: 1636200 -2.19176 -22.058 21.1986 -22.058 -19.434 56.2534 21.1986 56.2533 20.8189 GPRESSAVG: 1636200 -2.54412 -21.1192 20.5723 -22.9342 -18.9439 53.1998 20.2147 57.6332 21.153 TIMING: 1636200 CPU: 4885.02, 0.00300589/step Wall: 4885.02, 0.00300589/step, 2.80867 hours remaining, 208.906250 MB of memory in use. ENERGY: 1636200 754.2555 2034.9471 1916.1493 111.0291 -206463.7750 17931.2933 0.0000 0.0000 34373.0094 -149343.0913 300.1880 -183716.1007 -149250.0165 298.9543 60.6979 92.5813 555364.0804 -0.2689 -0.1117 LDB: ============= START OF LOAD BALANCING ============== 4888.57 LDB: ============== END OF LOAD BALANCING =============== 4888.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4888.57 LDB: ============= START OF LOAD BALANCING ============== 4888.88 LDB: Largest compute 4796 load 0.026237 is 22.2% of average load 0.118222 LDB: Average compute 0.001735 is 1.5% of average load 0.118222 LDB: TIME 4888.88 LOAD: AVG 0.118222 MAX 0.212299 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 4888.88 LOAD: AVG 0.118222 MAX 0.212299 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.516 MB LDB: TIME 4888.88 LOAD: AVG 0.118222 MAX 0.212299 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.516 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4888.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4888.88 PRESSURE: 1636400 -81.8068 28.7075 138.538 28.7095 10.1188 -1.78515 138.537 -1.78566 -34.3353 GPRESSURE: 1636400 -87.1832 30.6917 118.13 28.355 91.4127 -82.3914 175.738 33.0798 -11.6361 PRESSAVG: 1636400 -30.3969 -35.5738 34.3315 -35.5739 -41.8947 -3.3238 34.3316 -3.32386 66.6229 GPRESSAVG: 1636400 -30.3729 -36.3447 36.3546 -33.2014 -41.553 -0.561849 34.354 -4.50808 65.7031 TIMING: 1636400 CPU: 4885.63, 0.00306502/step Wall: 4885.63, 0.00306502/step, 2.86375 hours remaining, 207.027344 MB of memory in use. ENERGY: 1636400 754.4354 2040.0566 1939.2722 111.9325 -206064.6602 17750.5007 0.0000 0.0000 34269.8910 -149198.5718 299.2875 -183468.4628 -149104.4294 299.6506 -35.3411 -2.4688 555777.9064 -1.8896 -2.0743 PRESSURE: 1636600 -228.671 -80.6161 30.7879 -80.6161 -190.798 -13.1086 30.7876 -13.1091 67.6544 GPRESSURE: 1636600 -171.301 -148.707 -15.9093 -77.171 -137.832 8.39177 61.6858 -64.3109 44.2156 PRESSAVG: 1636600 -11.7561 10.8147 73.8457 10.8147 -12.8691 39.6574 73.8457 39.6575 33.9033 GPRESSAVG: 1636600 -11.4211 9.84245 72.083 11.1148 -13.488 39.6449 74.7533 39.9931 34.0582 TIMING: 1636600 CPU: 4886.23, 0.00298137/step Wall: 4886.23, 0.00298137/step, 2.78543 hours remaining, 207.230469 MB of memory in use. ENERGY: 1636600 778.6999 2082.0028 1924.9151 110.8580 -206071.4456 17768.7773 0.0000 0.0000 34142.2278 -149263.9649 298.1726 -183406.1926 -149162.9180 298.7257 -117.2717 -88.3056 558412.9914 3.0927 3.0497 PRESSURE: 1636800 -242.442 -92.4096 164.199 -92.4092 144.687 52.6973 164.198 52.6967 86.6218 GPRESSURE: 1636800 -151.355 -98.9678 132.702 -67.7054 189.354 38.0847 124.836 62.037 60.8263 PRESSAVG: 1636800 -38.6795 -60.5387 51.2881 -60.5388 -16.0194 -46.5834 51.2879 -46.5835 37.217 GPRESSAVG: 1636800 -38.4615 -58.5165 53.4567 -61.8484 -15.7358 -46.6499 48.3856 -45.1848 36.4959 TIMING: 1636800 CPU: 4886.83, 0.00299997/step Wall: 4886.83, 0.00299997/step, 2.80264 hours remaining, 207.230469 MB of memory in use. ENERGY: 1636800 764.8873 2057.0057 1922.9516 113.8583 -206349.8511 17826.4868 0.0000 0.0000 34507.0408 -149157.6205 301.3586 -183664.6613 -149062.3437 298.6270 -3.7112 32.9419 557821.5587 -5.8273 -5.9005 PRESSURE: 1637000 -25.0781 -35.3758 122.941 -35.3767 -148.273 -75.9643 122.942 -75.9636 -214.281 GPRESSURE: 1637000 -50.9893 8.11551 103.9 -116.187 -81.4757 -79.6299 154.002 -43.6899 -148.137 PRESSAVG: 1637000 4.51606 6.80932 79.8173 6.80923 -88.4394 -55.0276 79.8174 -55.0277 90.1716 GPRESSAVG: 1637000 3.10154 6.35646 80.4295 5.72023 -88.403 -57.2238 78.3363 -53.0716 91.2099 TIMING: 1637000 CPU: 4887.43, 0.00300313/step Wall: 4887.43, 0.00300313/step, 2.80542 hours remaining, 207.230469 MB of memory in use. ENERGY: 1637000 747.2566 2131.0706 1918.7568 108.8117 -206159.5049 17732.4006 0.0000 0.0000 34407.9283 -149113.2803 300.4930 -183521.2086 -149014.0017 299.9614 -129.2105 -93.5339 559387.1992 2.0827 1.9695 PRESSURE: 1637200 -444.785 -34.4781 -78.594 -34.4787 -416.773 -52.7636 -78.5941 -52.7636 -98.809 GPRESSURE: 1637200 -413.647 -20.7687 -66.7151 5.10524 -402.757 27.3188 -62.8836 -33.4547 -37.4633 PRESSAVG: 1637200 -0.256722 -13.0386 34.6034 -13.0385 -45.3555 -46.134 34.6034 -46.1339 68.9889 GPRESSAVG: 1637200 0.83173 -13.9767 33.1915 -12.0755 -45.8985 -44.6571 35.8801 -47.2867 68.9602 TIMING: 1637200 CPU: 4888.03, 0.00297844/step Wall: 4888.03, 0.00297844/step, 2.7822 hours remaining, 207.230469 MB of memory in use. ENERGY: 1637200 735.3799 2071.7870 1925.3130 109.3684 -205540.2867 17338.5943 0.0000 0.0000 34355.1085 -149004.7356 300.0317 -183359.8440 -148906.4042 300.0354 -320.1224 -284.6227 558752.9898 7.7923 7.9645 PRESSURE: 1637400 99.6036 -27.0103 -16.4191 -27.0107 -29.0634 -14.9334 -16.4177 -14.9317 -76.2962 GPRESSURE: 1637400 69.8746 -104.397 53.4611 -21.5967 -6.31844 35.476 -34.0775 -17.3291 21.8432 PRESSAVG: 1637400 2.21217 15.7119 35.638 15.7118 -14.9909 -53.7619 35.6381 -53.7619 30.9824 GPRESSAVG: 1637400 1.87731 16.1802 37.3283 13.8542 -13.4382 -52.3378 36.2768 -55.6709 29.6858 TIMING: 1637400 CPU: 4888.62, 0.00298324/step Wall: 4888.62, 0.00298324/step, 2.78651 hours remaining, 207.230469 MB of memory in use. ENERGY: 1637400 728.3662 2113.9193 1934.2441 116.5306 -206028.4736 17720.7478 0.0000 0.0000 34419.6602 -148995.0055 300.5955 -183414.6657 -148898.3897 299.4112 -1.9187 28.4665 557634.2063 6.0679 6.0416 PRESSURE: 1637600 -151.338 -29.6294 117.679 -29.6288 -15.1677 93.5434 117.679 93.5426 -47.1485 GPRESSURE: 1637600 -89.2173 -77.7809 83.636 -47.5071 -8.89784 -25.4536 171.528 187.331 -27.5756 PRESSAVG: 1637600 -5.95673 23.6241 42.0617 23.6241 6.56096 52.8166 42.0618 52.8167 1.05151 GPRESSAVG: 1637600 -4.74086 24.4435 40.2178 25.1085 5.70201 51.2048 42.6169 52.7256 0.583741 TIMING: 1637600 CPU: 4889.22, 0.0029708/step Wall: 4889.22, 0.0029708/step, 2.77472 hours remaining, 207.230469 MB of memory in use. ENERGY: 1637600 721.0963 2091.1555 1948.7882 115.7933 -206099.0415 17746.5988 0.0000 0.0000 34433.3131 -149042.2962 300.7147 -183475.6093 -148945.3313 299.9583 -71.2181 -41.8969 558518.9922 0.5519 0.5150 PRESSURE: 1637800 28.3685 -87.5162 36.5281 -87.5167 -90.9666 -13.9225 36.5274 -13.9203 -154.568 GPRESSURE: 1637800 9.54524 -161.677 -9.99562 -52.8669 -58.1792 18.3054 73.6558 -69.264 -62.8403 PRESSAVG: 1637800 18.9326 -27.8078 76.4362 -27.8079 -20.9928 35.2462 76.4363 35.2462 -5.51628 GPRESSAVG: 1637800 17.7915 -27.4096 76.0526 -29.1418 -21.9998 36.2676 76.2574 34.397 -3.38228 TIMING: 1637800 CPU: 4889.82, 0.0029938/step Wall: 4889.82, 0.0029938/step, 2.79604 hours remaining, 207.230469 MB of memory in use. ENERGY: 1637800 755.3640 2080.6232 1943.0645 122.0002 -205643.2755 17612.3000 0.0000 0.0000 34018.3255 -149111.5982 297.0905 -183129.9236 -149020.0119 299.8813 -72.3887 -37.1581 558062.5620 -2.5255 -2.5302 PRESSURE: 1638000 133.705 18.0916 168.309 18.0925 158.966 10.5472 168.309 10.5466 255.073 GPRESSURE: 1638000 177.775 144.504 147.315 -8.05912 198.918 -5.42696 151.095 57.063 273.601 PRESSAVG: 1638000 -16.3981 48.0176 -26.545 48.0177 33.445 18.8976 -26.5451 18.8977 -8.55671 GPRESSAVG: 1638000 -16.2492 48.1082 -25.2779 47.851 35.4346 18.5855 -27.5338 21.5244 -10.8569 TIMING: 1638000 CPU: 4890.42, 0.00299462/step Wall: 4890.42, 0.00299462/step, 2.79664 hours remaining, 207.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1638000 748.2441 2014.1012 1958.4334 119.1696 -206454.3606 18081.6409 0.0000 0.0000 34432.7343 -149100.0372 300.7096 -183532.7714 -148995.2797 299.8359 182.5810 216.7647 556844.5737 2.8301 2.7762 PRESSURE: 1638200 -259.121 171.962 47.873 171.963 162.463 204.528 47.8726 204.528 163.571 GPRESSURE: 1638200 -213.497 191.986 54.6503 124.959 157.511 236.216 52.5387 149.144 219.373 PRESSAVG: 1638200 -22.4672 45.5369 33.8504 45.5369 10.5156 55.979 33.8504 55.979 -9.60696 GPRESSAVG: 1638200 -23.1216 45.8068 34.9956 46.8805 8.94827 55.4815 33.1038 55.6041 -6.94598 TIMING: 1638200 CPU: 4891.02, 0.00300739/step Wall: 4891.02, 0.00300739/step, 2.8084 hours remaining, 207.230469 MB of memory in use. ENERGY: 1638200 753.0618 2078.4511 1939.8040 111.2483 -206100.3829 17733.8923 0.0000 0.0000 34367.0612 -149116.8641 300.1361 -183483.9252 -149023.4421 300.1319 22.3046 54.4624 555299.3868 -7.1862 -7.0398 PRESSURE: 1638400 -123.215 -181.645 8.23894 -181.646 -112.923 -7.02673 8.23785 -7.0271 -479.613 GPRESSURE: 1638400 -86.225 -246.871 -8.98755 -217.199 -61.0384 -8.19919 -6.47873 -12.9534 -463.95 PRESSAVG: 1638400 52.1866 -25.7991 52.2274 -25.799 -13.6565 51.4464 52.2274 51.4465 -61.36 GPRESSAVG: 1638400 52.2431 -25.6068 50.1429 -27.4654 -12.112 53.7516 53.1786 48.3762 -62.3384 TIMING: 1638400 CPU: 4891.62, 0.00299711/step Wall: 4891.62, 0.00299711/step, 2.79863 hours remaining, 207.230469 MB of memory in use. ENERGY: 1638400 747.9255 2122.5992 1938.6137 107.0755 -205548.3797 17301.3306 0.0000 0.0000 34457.0496 -148873.7856 300.9220 -183330.8352 -148772.0576 300.2087 -238.5836 -203.7379 555973.9096 -7.6100 -7.4024 PRESSURE: 1638600 -355.703 -147.091 -112.18 -147.092 -281.497 52.8981 -112.18 52.8982 -165.018 GPRESSURE: 1638600 -302.582 -198.721 -133.423 -200.504 -290.777 151.532 -51.7929 152.226 -99.7074 PRESSAVG: 1638600 40.3032 -44.9467 3.90122 -44.9467 -22.8681 -38.2464 3.90123 -38.2463 22.7588 GPRESSAVG: 1638600 41.1807 -46.5698 4.48038 -42.5266 -24.7026 -37.9582 3.64705 -36.8652 23.7174 TIMING: 1638600 CPU: 4892.21, 0.00297839/step Wall: 4892.21, 0.00297839/step, 2.78099 hours remaining, 207.230469 MB of memory in use. ENERGY: 1638600 772.2808 2098.0213 1944.9854 121.8404 -205842.0919 17379.7165 0.0000 0.0000 34584.5966 -148940.6509 302.0359 -183525.2476 -148844.5906 300.2185 -267.4060 -231.0222 556934.7599 13.3980 13.3985 PRESSURE: 1638800 -110.777 -6.13881 87.2713 -6.1386 198.898 -4.89796 87.2719 -4.89888 193.153 GPRESSURE: 1638800 -69.0427 -72.8202 101.159 -6.54831 244.256 53.915 113.243 -3.50258 200.764 PRESSAVG: 1638800 5.9808 -5.42625 -0.283853 -5.42625 -2.3523 53.3631 -0.283942 53.3631 13.3585 GPRESSAVG: 1638800 7.56327 -6.58123 0.219669 -6.97731 -2.93225 51.1866 -0.514558 54.0937 11.8552 TIMING: 1638800 CPU: 4892.81, 0.00298249/step Wall: 4892.81, 0.00298249/step, 2.78465 hours remaining, 207.230469 MB of memory in use. ENERGY: 1638800 705.1242 2093.7236 1909.4641 112.4454 -206172.3404 17885.9707 0.0000 0.0000 34398.5480 -149067.0645 300.4111 -183465.6125 -148967.3096 299.7826 93.7578 125.3258 557240.6547 5.6623 5.4954 PRESSURE: 1639000 378.681 -38.9528 -92.8823 -38.9522 -136.77 -72.0039 -92.8821 -72.0029 184.61 GPRESSURE: 1639000 458.595 -52.5531 -40.4048 -61.6151 -143.474 -113.743 -8.38487 -54.2255 210.322 PRESSAVG: 1639000 13.6312 -29.3773 -22.9251 -29.3773 -11.4246 -11.4048 -22.925 -11.4048 -3.9692 GPRESSAVG: 1639000 13.55 -28.0917 -23.1597 -29.7996 -10.9055 -13.5806 -21.9924 -10.6601 -4.49893 TIMING: 1639000 CPU: 4893.41, 0.00300246/step Wall: 4893.41, 0.00300246/step, 2.80313 hours remaining, 207.230469 MB of memory in use. ENERGY: 1639000 716.3915 2090.2288 1960.6367 112.2388 -206055.7345 17864.4889 0.0000 0.0000 34374.7746 -148936.9752 300.2035 -183311.7498 -148841.3886 300.2992 142.1737 175.1474 556593.4253 -0.5875 -0.6181 PRESSURE: 1639200 -88.5888 13.626 24.6084 13.6273 -178.39 -32.2118 24.6091 -32.2109 -43.2702 GPRESSURE: 1639200 -78.0258 88.3958 91.4448 -18.8044 -110.124 -54.1254 -13.1919 -68.1125 -17.8084 PRESSAVG: 1639200 81.0586 -61.661 -13.8781 -61.661 -55.0687 -12.4464 -13.878 -12.4464 -32.4493 GPRESSAVG: 1639200 79.6722 -58.9272 -14.4587 -61.247 -54.4354 -9.64817 -13.3773 -13.9266 -31.9834 TIMING: 1639200 CPU: 4894.02, 0.00303355/step Wall: 4894.02, 0.00303355/step, 2.83199 hours remaining, 207.230469 MB of memory in use. ENERGY: 1639200 747.8263 2105.9352 1931.3244 116.4260 -205687.1021 17633.4449 0.0000 0.0000 34186.7897 -148965.3557 298.5617 -183152.1453 -148871.8056 300.3322 -103.4163 -68.6528 558235.7705 -2.1531 -2.2489 PRESSURE: 1639400 -14.5416 8.15146 9.5846 8.15077 -65.4089 -108.825 9.58557 -108.825 33.6973 GPRESSURE: 1639400 60.0501 -59.519 -5.7472 4.06828 -52.3711 -73.8054 -14.2949 -75.195 54.0743 PRESSAVG: 1639400 -30.6032 23.5829 -11.5985 23.5829 25.3515 -50.4829 -11.5986 -50.483 24.8102 GPRESSAVG: 1639400 -31.103 20.5947 -13.425 25.0573 26.2236 -52.3592 -12.278 -48.7668 24.3885 TIMING: 1639400 CPU: 4894.61, 0.00299019/step Wall: 4894.61, 0.00299019/step, 2.79134 hours remaining, 207.230469 MB of memory in use. ENERGY: 1639400 783.8480 2055.8495 1940.1029 123.6839 -205627.0156 17783.8111 0.0000 0.0000 34157.6580 -148782.0623 298.3073 -182939.7202 -148680.0668 299.6881 -15.4177 20.5844 558473.6383 6.5195 6.5030 PRESSURE: 1639600 164.418 51.646 -48.9721 51.6458 34.028 55.4974 -48.9714 55.4967 88.2403 GPRESSURE: 1639600 195.293 52.176 54.0707 93.4138 28.6415 114.833 -103.257 68.283 152.254 PRESSAVG: 1639600 -26.0325 32.5485 -11.7262 32.5485 29.3514 -38.7947 -11.7261 -38.7949 45.0904 GPRESSAVG: 1639600 -25.0633 34.1072 -10.6546 31.0553 28.7099 -36.7905 -10.1054 -38.46 44.686 TIMING: 1639600 CPU: 4895.22, 0.00301937/step Wall: 4895.22, 0.00301937/step, 2.81841 hours remaining, 207.230469 MB of memory in use. ENERGY: 1639600 744.4333 2154.8082 1937.5384 102.5957 -205961.5235 17802.9330 0.0000 0.0000 34366.9957 -148852.2192 300.1355 -183219.2149 -148759.5419 299.6040 95.5620 125.3963 557097.2107 16.1364 16.1108 PRESSURE: 1639800 221.865 115.575 154.749 115.574 110.198 -24.2813 154.75 -24.2807 -147.797 GPRESSURE: 1639800 282.387 161.595 193.17 153.097 92.8233 -2.55077 166.449 -90.5451 -92.6868 PRESSAVG: 1639800 38.0843 30.473 50.7228 30.473 -92.9755 48.4137 50.7228 48.4137 23.5271 GPRESSAVG: 1639800 37.8902 31.7098 52.6165 28.1751 -92.455 46.2498 49.8854 46.4734 22.8013 TIMING: 1639800 CPU: 4895.82, 0.00299441/step Wall: 4895.82, 0.00299441/step, 2.79495 hours remaining, 207.296875 MB of memory in use. ENERGY: 1639800 760.0737 2036.3725 1931.6954 105.3121 -206134.6477 17972.7055 0.0000 0.0000 34433.3124 -148895.1760 300.7147 -183328.4884 -148793.6211 300.2425 61.4221 94.1745 559170.4356 -10.4547 -10.5878 PRESSURE: 1640000 -167.594 191.292 -33.6181 191.29 -46.8158 -70.8075 -33.6186 -70.8081 -289.074 GPRESSURE: 1640000 -205.177 216.428 -34.0205 204.8 11.5237 -125.576 -41.8098 28.0848 -207.586 PRESSAVG: 1640000 40.3348 27.8597 9.01419 27.8597 -9.83354 35.9039 9.01416 35.904 -29.2845 GPRESSAVG: 1640000 39.5952 27.8232 9.72846 30.2824 -9.95046 37.8942 7.94858 38.7825 -27.6977 TIMING: 1640000 CPU: 4896.42, 0.00299161/step Wall: 4896.42, 0.00299161/step, 2.79217 hours remaining, 207.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1640000 743.2431 2072.8172 1952.1406 125.9322 -205561.0559 17529.7093 0.0000 0.0000 34285.4282 -148851.7853 299.4232 -183137.2135 -148753.9898 299.9587 -167.8280 -133.7467 560462.5896 0.4056 0.6490 PRESSURE: 1640200 132.444 19.5691 99.2939 19.5692 -79.0362 85.0605 99.2947 85.0601 -161.176 GPRESSURE: 1640200 129.578 -54.6199 79.2109 114.182 24.5946 161.707 109.555 122.749 -169.504 PRESSAVG: 1640200 12.7329 16.4504 20.4557 16.4504 26.3731 -37.745 20.4558 -37.7449 -1.42514 GPRESSAVG: 1640200 13.1918 16.0821 20.2118 15.2131 27.1354 -39.662 20.1159 -40.0884 -2.90567 TIMING: 1640200 CPU: 4897.02, 0.00301557/step Wall: 4897.02, 0.00301557/step, 2.81437 hours remaining, 207.296875 MB of memory in use. ENERGY: 1640200 760.7370 2204.3100 1931.4371 98.5680 -205709.7803 17631.7693 0.0000 0.0000 34267.1816 -148815.7774 299.2638 -183082.9590 -148725.5604 300.4642 -35.9229 -5.1104 559141.3554 12.5603 12.4738 LDB: ============= START OF LOAD BALANCING ============== 4900.57 LDB: ============== END OF LOAD BALANCING =============== 4900.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4900.57 LDB: ============= START OF LOAD BALANCING ============== 4900.87 LDB: Largest compute 4772 load 0.027575 is 23.3% of average load 0.118236 LDB: Average compute 0.001744 is 1.5% of average load 0.118236 LDB: TIME 4900.87 LOAD: AVG 0.118236 MAX 0.211523 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.547 MB LDB: TIME 4900.87 LOAD: AVG 0.118236 MAX 0.211523 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.551 MB LDB: TIME 4900.87 LOAD: AVG 0.118236 MAX 0.211523 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.551 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4900.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4900.88 PRESSURE: 1640400 109.984 -99.376 72.8019 -99.3769 97.7375 10.2572 72.8019 10.2571 -38.6901 GPRESSURE: 1640400 203.716 -66.5458 58.0767 -154.458 61.6785 3.6885 106.214 65.9654 7.53481 PRESSAVG: 1640400 -22.5247 -53.0426 -19.0283 -53.0425 -42.3139 -7.86753 -19.0282 -7.86765 43.8309 GPRESSAVG: 1640400 -21.1095 -51.942 -20.4097 -53.83 -44.1734 -7.56431 -16.922 -7.21972 44.1932 TIMING: 1640400 CPU: 4897.63, 0.00306446/step Wall: 4897.63, 0.00306446/step, 2.85982 hours remaining, 207.855469 MB of memory in use. ENERGY: 1640400 723.3922 2082.1882 1939.6213 110.8748 -206220.1181 17895.4466 0.0000 0.0000 34555.5581 -148913.0368 301.7823 -183468.5949 -148819.0251 300.5772 56.3438 90.9765 557337.5348 -7.0025 -7.0299 PRESSURE: 1640600 139.999 88.0311 72.6403 88.0329 167.978 -78.9791 72.6404 -78.9788 -42.72 GPRESSURE: 1640600 138.194 86.5764 -7.55434 20.3103 260.417 -80.0211 79.8632 -75.975 -44.1671 PRESSAVG: 1640600 22.3235 -48.88 55.6391 -48.88 -1.40317 -36.4737 55.6392 -36.4738 -18.8737 GPRESSAVG: 1640600 21.4182 -52.5151 55.2431 -46.4767 -1.11917 -37.0975 55.053 -37.0555 -18.5773 TIMING: 1640600 CPU: 4898.23, 0.0030089/step Wall: 4898.23, 0.0030089/step, 2.8078 hours remaining, 208.054688 MB of memory in use. ENERGY: 1640600 731.9881 2051.0663 1917.0098 108.7484 -206221.6989 17888.6656 0.0000 0.0000 34564.9972 -148959.2235 301.8647 -183524.2207 -148865.2365 300.6252 88.4189 118.1481 558060.2996 0.6822 0.5739 PRESSURE: 1640800 -93.0493 3.09901 -38.9935 3.09837 -76.0489 -150.883 -38.9942 -150.882 185.594 GPRESSURE: 1640800 -85.5649 170.889 -83.1719 -103.102 -12.86 -132.23 -76.136 -140.726 205.882 PRESSAVG: 1640800 34.921 -8.00159 -6.46045 -8.00152 -59.2998 -16.6365 -6.46043 -16.6365 48.6477 GPRESSAVG: 1640800 34.541 -3.35543 -6.60699 -11.3699 -58.7869 -16.1294 -5.7749 -16.3666 48.699 TIMING: 1640800 CPU: 4898.83, 0.00299485/step Wall: 4898.83, 0.00299485/step, 2.79453 hours remaining, 208.054688 MB of memory in use. ENERGY: 1640800 768.1060 2126.5165 1948.2410 109.5856 -205870.6619 17765.3831 0.0000 0.0000 34265.5327 -148887.2969 299.2494 -183152.8296 -148790.5407 300.4775 5.4987 35.8190 557285.2103 8.0896 8.1510 PRESSURE: 1641000 80.323 4.64901 79.2177 4.65052 -49.0845 54.4628 79.2187 54.4629 -44.1428 GPRESSURE: 1641000 129.315 31.3857 3.15141 -24.3379 -34.1966 85.3866 64.3421 25.0368 -4.64019 PRESSAVG: 1641000 -34.6272 -20.4455 -31.7997 -20.4455 -34.5608 43.2317 -31.7997 43.2317 80.7848 GPRESSAVG: 1641000 -35.2864 -22.5623 -30.9182 -19.2317 -32.5707 42.6557 -32.2962 42.1092 78.8589 TIMING: 1641000 CPU: 4899.43, 0.00300317/step Wall: 4899.43, 0.00300317/step, 2.80213 hours remaining, 208.054688 MB of memory in use. ENERGY: 1641000 778.2634 2062.1728 1925.1906 110.9876 -205614.3087 17755.5911 0.0000 0.0000 34183.0939 -148799.0093 298.5295 -182982.1031 -148708.9438 299.9398 -4.3015 30.1593 558132.3878 3.8656 3.6673 PRESSURE: 1641200 -309.607 -122.863 -16.979 -122.863 -51.0015 58.1993 -16.9788 58.1997 -139.083 GPRESSURE: 1641200 -245.106 -175.434 -68.1525 -80.4273 -44.8963 85.7913 -14.4029 73.2032 -104.22 PRESSAVG: 1641200 35.2689 -50.4669 -31.0962 -50.467 -19.9892 24.4267 -31.0962 24.4267 -31.3228 GPRESSAVG: 1641200 36.2428 -50.4207 -29.5085 -48.3623 -22.9085 23.9615 -33.2441 24.0344 -29.3899 TIMING: 1641200 CPU: 4900.04, 0.00301271/step Wall: 4900.04, 0.00301271/step, 2.81086 hours remaining, 208.054688 MB of memory in use. ENERGY: 1641200 747.4570 2069.0066 1933.7492 101.8265 -205655.0376 17652.6688 0.0000 0.0000 34324.6400 -148825.6894 299.7656 -183150.3294 -148724.1235 299.8762 -166.5640 -131.4075 559924.4566 -5.3477 -5.3519 PRESSURE: 1641400 108.22 -0.397588 -24.7472 -0.39682 49.8717 170.442 -24.7463 170.442 231.738 GPRESSURE: 1641400 141.499 12.5282 -37.8944 3.49339 22.8515 197.651 36.2094 126.884 318.433 PRESSAVG: 1641400 -24.4634 -7.66567 -37.7612 -7.66569 29.1789 50.3163 -37.7611 50.3164 -30.5069 GPRESSAVG: 1641400 -24.332 -6.74169 -38.8385 -9.05658 29.1916 51.7047 -37.6694 49.7299 -30.4261 TIMING: 1641400 CPU: 4900.63, 0.00299789/step Wall: 4900.63, 0.00299789/step, 2.79687 hours remaining, 208.054688 MB of memory in use. ENERGY: 1641400 719.4829 2122.7241 1914.7105 111.5323 -205897.9787 17816.1877 0.0000 0.0000 34446.2129 -148767.1281 300.8273 -183213.3411 -148670.8307 300.5670 129.9432 160.9279 557703.3428 -8.5972 -8.5222 PRESSURE: 1641600 201.839 85.1409 106.552 85.1415 -168.063 87.771 106.552 87.7721 -322.143 GPRESSURE: 1641600 220.06 68.3095 -15.1681 48.0736 -116.608 54.0609 83.0809 112.119 -285.015 PRESSAVG: 1641600 7.25334 -12.1725 -3.60827 -12.1724 -36.0616 31.5155 -3.60821 31.5156 45.9651 GPRESSAVG: 1641600 6.62989 -12.7782 -4.17741 -13.8657 -35.6944 30.1509 -2.29702 33.4061 45.7936 TIMING: 1641600 CPU: 4901.23, 0.00299695/step Wall: 4901.23, 0.00299695/step, 2.79582 hours remaining, 208.054688 MB of memory in use. ENERGY: 1641600 735.6085 2132.0826 1956.4350 114.2732 -205733.8125 17542.0612 0.0000 0.0000 34249.5894 -149003.7626 299.1102 -183253.3520 -148913.6983 299.8350 -96.1227 -60.5208 556958.0809 5.7190 5.5764 PRESSURE: 1641800 33.3622 -98.473 -106.154 -98.4732 -214.546 -46.5461 -106.155 -46.5458 -150.923 GPRESSURE: 1641800 44.4879 -164.175 -68.3942 -123.223 -149.073 -22.2535 -117.01 24.9058 -124.231 PRESSAVG: 1641800 36.9205 -4.90486 3.9627 -4.90481 -54.587 -25.328 3.96273 -25.3279 45.8706 GPRESSAVG: 1641800 35.5843 -4.46599 5.69052 -3.30858 -53.8455 -23.4532 2.99513 -26.4428 46.5201 TIMING: 1641800 CPU: 4901.83, 0.00300035/step Wall: 4901.83, 0.00300035/step, 2.79882 hours remaining, 208.054688 MB of memory in use. ENERGY: 1641800 766.3699 2026.9794 1938.4273 112.1203 -205826.4910 17623.6954 0.0000 0.0000 34358.3691 -149000.5297 300.0602 -183358.8987 -148895.8369 300.0482 -110.7023 -76.2718 558188.1911 9.4014 9.4196 PRESSURE: 1642000 -414.127 58.7143 144.433 58.7141 -321.04 -144.18 144.434 -144.181 -300.798 GPRESSURE: 1642000 -455.978 -0.523748 196.599 51.6841 -240.029 -175.045 154.642 -177.966 -245.967 PRESSAVG: 1642000 -4.31378 -16.3738 39.3334 -16.3738 -39.1652 3.48772 39.3334 3.48765 -9.01122 GPRESSAVG: 1642000 -2.60123 -17.141 40.1712 -16.8617 -40.2494 1.89794 38.0376 5.43238 -9.69297 TIMING: 1642000 CPU: 4902.43, 0.00298993/step Wall: 4902.43, 0.00298993/step, 2.78894 hours remaining, 208.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1642000 763.1310 2078.1744 1925.3394 110.8888 -205533.1653 17178.4931 0.0000 0.0000 34433.9194 -149043.2193 300.7200 -183477.1387 -148954.8838 299.8961 -345.3219 -313.9911 558296.0822 -17.4967 -17.5145 PRESSURE: 1642200 321.472 -56.2082 118.395 -56.2082 72.2221 -18.4496 118.394 -18.4496 -142.227 GPRESSURE: 1642200 325.584 -56.7277 81.5667 -63.0077 98.5786 -72.3936 140.283 25.9046 -76.918 PRESSAVG: 1642200 38.1911 -5.29886 67.4744 -5.29893 29.4844 5.19661 67.4744 5.19666 -20.8803 GPRESSAVG: 1642200 37.8975 -3.08856 64.8685 -6.08152 30.0959 4.48961 69.0066 3.92808 -21.1465 TIMING: 1642200 CPU: 4903.03, 0.00299852/step Wall: 4903.03, 0.00299852/step, 2.79679 hours remaining, 208.054688 MB of memory in use. ENERGY: 1642200 689.5669 2122.0601 1940.1719 105.9408 -206168.3379 17857.8687 0.0000 0.0000 34246.8322 -149205.8972 299.0861 -183452.7294 -149115.3599 299.2856 83.8221 115.7482 555837.1172 15.5984 15.6156 PRESSURE: 1642400 -62.8565 -22.7296 -68.0211 -22.7299 -29.4709 63.8749 -68.0214 63.8732 -84.2964 GPRESSURE: 1642400 1.72087 25.8049 -72.3215 -87.3305 -8.70521 37.7488 -0.831144 -68.6268 -66.2684 PRESSAVG: 1642400 4.37492 -27.5363 64.5825 -27.5361 7.94207 0.483231 64.5825 0.483239 -31.8422 GPRESSAVG: 1642400 4.60866 -31.1116 65.7256 -26.5754 7.48532 0.913222 67.6859 -0.379167 -31.6349 TIMING: 1642400 CPU: 4903.63, 0.00300292/step Wall: 4903.63, 0.00300292/step, 2.80072 hours remaining, 208.054688 MB of memory in use. ENERGY: 1642400 798.9114 2103.5292 1926.0118 119.8192 -205860.3834 17662.1554 0.0000 0.0000 34066.5191 -149183.4373 297.5114 -183249.9564 -149085.7462 299.2799 -58.8746 -24.4176 558046.2884 -6.5084 -6.5136 PRESSURE: 1642600 -23.2386 -12.9452 192.785 -12.9452 65.5697 -18.3317 192.786 -18.3327 -312.57 GPRESSURE: 1642600 37.7299 39.6909 199.206 -71.7596 102.677 -0.0141404 127.625 -29.5925 -312.508 PRESSAVG: 1642600 -79.1796 -5.12871 49.6355 -5.12867 -2.47334 -89.0942 49.6355 -89.0941 26.6649 GPRESSAVG: 1642600 -79.6808 -3.91968 50.9102 -5.02446 -3.01255 -89.6817 44.6964 -88.1905 27.585 TIMING: 1642600 CPU: 4904.23, 0.00298124/step Wall: 4904.23, 0.00298124/step, 2.78034 hours remaining, 208.054688 MB of memory in use. ENERGY: 1642600 756.6252 2095.0158 1919.0128 107.9508 -205843.1556 17527.3615 0.0000 0.0000 34262.9874 -149174.2022 299.2272 -183437.1895 -149075.5199 299.4068 -90.0797 -57.3671 556566.5660 -18.3293 -18.3695 PRESSURE: 1642800 -5.60318 -13.8644 354.502 -13.8643 27.2354 -133.061 354.503 -133.06 -37.4776 GPRESSURE: 1642800 43.9464 1.26767 314.031 0.212386 28.4604 -116.419 338.307 -99.1206 2.14188 PRESSAVG: 1642800 4.82295 -15.9166 41.6999 -15.9167 -69.6357 -66.5025 41.6999 -66.5025 43.0886 GPRESSAVG: 1642800 4.47143 -17.6576 39.8236 -12.9595 -68.6265 -63.1693 45.0728 -67.4327 42.8229 TIMING: 1642800 CPU: 4904.83, 0.00299322/step Wall: 4904.83, 0.00299322/step, 2.79134 hours remaining, 208.054688 MB of memory in use. ENERGY: 1642800 723.3768 2116.1033 1952.6058 112.3506 -205871.2620 17500.9135 0.0000 0.0000 34348.8736 -149117.0385 299.9773 -183465.9121 -149026.4573 300.0561 -5.2818 24.8495 556315.4708 -7.2414 -7.1107 PRESSURE: 1643000 -227.661 -73.9456 138.829 -73.9461 -8.21437 194.668 138.828 194.669 -240.792 GPRESSURE: 1643000 -215.751 -79.7621 118.22 -39.7628 20.0131 74.5899 212.449 211.533 -178.662 PRESSAVG: 1643000 -11.3791 -20.1639 58.4587 -20.1638 10.8787 4.71659 58.4586 4.71664 -11.687 GPRESSAVG: 1643000 -11.4832 -17.4058 59.3206 -23.0896 10.8429 3.29663 56.5043 6.52865 -11.6552 TIMING: 1643000 CPU: 4905.42, 0.00296819/step Wall: 4905.42, 0.00296819/step, 2.76784 hours remaining, 208.054688 MB of memory in use. ENERGY: 1643000 729.6718 2078.7432 1947.5273 111.9973 -205851.6719 17600.9612 0.0000 0.0000 34250.6244 -149132.1465 299.1192 -183382.7709 -149035.5223 299.8199 -158.8891 -124.8001 557327.7709 -4.0625 -4.0985 PRESSURE: 1643200 155.491 -115.365 -164.499 -115.365 161.126 -13.399 -164.498 -13.3999 -54.3138 GPRESSURE: 1643200 204.641 -84.3014 -58.7409 -55.4502 166.869 -34.7484 -156.797 -27.1861 -9.84989 PRESSAVG: 1643200 -17.9109 46.8553 -17.1537 46.8553 -11.265 31.2137 -17.1537 31.2138 -2.00868 GPRESSAVG: 1643200 -16.774 44.6839 -17.0539 48.1648 -12.3007 30.3828 -15.8948 32.0023 -2.4943 TIMING: 1643200 CPU: 4906.02, 0.00297873/step Wall: 4906.02, 0.00297873/step, 2.7775 hours remaining, 208.054688 MB of memory in use. ENERGY: 1643200 724.4812 2095.6592 1926.2594 109.5826 -206194.8023 17874.0471 0.0000 0.0000 34546.3672 -148918.4055 301.7020 -183464.7727 -148810.0824 299.4344 87.4344 120.5534 556243.2758 -10.3948 -10.5230 PRESSURE: 1643400 255.237 113.588 -13.3527 113.59 349.602 210.967 -13.3523 210.968 148.398 GPRESSURE: 1643400 301.431 119.921 30.1928 125.025 343.741 214.506 -61.1068 211.784 199.756 PRESSAVG: 1643400 -11.2871 33.0145 9.00385 33.0145 -16.204 37.5638 9.00381 37.5638 19.0668 GPRESSAVG: 1643400 -12.6244 34.5965 8.92019 31.601 -16.8465 35.8853 8.61547 36.9447 20.2067 TIMING: 1643400 CPU: 4906.61, 0.00298044/step Wall: 4906.61, 0.00298044/step, 2.77893 hours remaining, 208.054688 MB of memory in use. ENERGY: 1643400 735.8668 2144.8587 1936.2611 117.6695 -206356.4992 17975.1083 0.0000 0.0000 34523.1347 -148923.6002 301.4991 -183446.7348 -148830.2120 300.7135 251.0790 281.6428 555104.1533 -2.8081 -3.0881 PRESSURE: 1643600 -140.629 22.8212 22.5228 22.8209 -191.621 35.4785 22.5226 35.4788 -211.945 GPRESSURE: 1643600 1.4309 0.0453624 42.3252 23.233 -207.912 67.8653 -61.1876 98.7253 -251.561 PRESSAVG: 1643600 53.8531 36.4992 42.1414 36.4992 -17.1611 24.4073 42.1413 24.4074 -3.99016 GPRESSAVG: 1643600 55.0527 36.4558 40.4699 37.3906 -16.4942 26.1964 42.5451 24.1269 -5.81689 TIMING: 1643600 CPU: 4907.22, 0.0030523/step Wall: 4907.22, 0.0030523/step, 2.84576 hours remaining, 208.054688 MB of memory in use. ENERGY: 1643600 735.5396 2058.8541 1931.9361 123.0068 -206062.2011 17565.9600 0.0000 0.0000 34405.6838 -149241.2207 300.4734 -183646.9045 -149145.2120 300.5080 -181.3982 -152.6810 556508.9303 10.9006 10.9139 PRESSURE: 1643800 -122.366 16.2586 -183.133 16.2577 -175.968 -68.0163 -183.133 -68.0167 44.1301 GPRESSURE: 1643800 -84.3985 3.25807 -125.736 3.80356 -138.58 -51.0225 -185.905 -24.3194 63.6711 PRESSAVG: 1643800 55.8467 62.1844 48.4044 62.1844 3.31058 -24.3004 48.4044 -24.3003 -37.3989 GPRESSAVG: 1643800 54.7516 60.9126 49.4285 62.1299 3.4515 -22.6952 49.4183 -26.1624 -36.8938 TIMING: 1643800 CPU: 4907.83, 0.00300906/step Wall: 4907.83, 0.00300906/step, 2.80528 hours remaining, 208.054688 MB of memory in use. ENERGY: 1643800 722.3492 2069.4490 1938.2374 122.7334 -205883.9537 17713.8643 0.0000 0.0000 34158.7847 -149158.5357 298.3172 -183317.3204 -149055.4017 299.9466 -84.7347 -53.1023 557713.3048 7.2528 7.1031 PRESSURE: 1644000 -214.592 20.2797 -159.867 20.278 -162.092 122.798 -159.867 122.797 -120.64 GPRESSURE: 1644000 -225.687 2.04741 -124.113 -64.7369 -81.8269 120.806 -97.9853 61.178 -86.5467 PRESSAVG: 1644000 -18.8603 8.0486 -26.1313 8.04857 67.5002 19.8375 -26.1314 19.8376 -31.6208 GPRESSAVG: 1644000 -18.8645 6.88179 -24.9466 8.98625 68.3553 16.5806 -26.8534 21.426 -32.4222 TIMING: 1644000 CPU: 4908.43, 0.00302319/step Wall: 4908.43, 0.00302319/step, 2.81828 hours remaining, 208.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1644000 742.1677 2109.9186 1952.0774 115.1363 -205967.9279 17618.4703 0.0000 0.0000 34469.6091 -148960.5485 301.0317 -183430.1576 -148870.2377 299.8456 -165.7746 -131.3534 558082.5319 5.6730 5.6895 PRESSURE: 1644200 195.3 166.806 -66.3792 166.807 -89.8028 20.1803 -66.3791 20.1813 -14.2652 GPRESSURE: 1644200 277.073 158.964 -15.4235 138.848 -130.608 59.95 -80.5606 40.8551 37.8836 PRESSAVG: 1644200 12.6368 -4.42389 47.2729 -4.42393 41.5556 -30.1896 47.2728 -30.1895 -25.3487 GPRESSAVG: 1644200 12.6528 -2.85206 47.2941 -3.91791 41.2853 -29.9504 47.1465 -29.4263 -24.6469 TIMING: 1644200 CPU: 4909.03, 0.00301871/step Wall: 4909.03, 0.00301871/step, 2.81394 hours remaining, 208.054688 MB of memory in use. ENERGY: 1644200 736.4270 2084.1338 1950.0899 115.4891 -206117.6984 17846.2669 0.0000 0.0000 34555.6327 -148829.6590 301.7829 -183385.2917 -148730.0892 300.4810 30.4106 61.4496 558531.6792 9.6146 9.7638 LDB: ============= START OF LOAD BALANCING ============== 4912.58 LDB: ============== END OF LOAD BALANCING =============== 4912.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4912.58 LDB: ============= START OF LOAD BALANCING ============== 4912.88 LDB: Largest compute 4773 load 0.026789 is 22.7% of average load 0.118190 LDB: Average compute 0.001741 is 1.5% of average load 0.118190 LDB: TIME 4912.89 LOAD: AVG 0.11819 MAX 0.212041 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.312 MB LDB: TIME 4912.89 LOAD: AVG 0.11819 MAX 0.212041 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.312 MB LDB: TIME 4912.89 LOAD: AVG 0.11819 MAX 0.212041 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.312 MB LDB: ============== END OF LOAD BALANCING =============== 4912.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4912.89 PRESSURE: 1644400 -361.134 272.872 -88.6964 272.873 -165.895 -73.5183 -88.6953 -73.5191 -213.707 GPRESSURE: 1644400 -368.817 214.146 -68.5578 300.273 -89.4578 -88.8475 -105.429 -63.5116 -190.977 PRESSAVG: 1644400 1.86373 12.5743 -13.6676 12.5742 -0.27413 18.0029 -13.6676 18.003 24.8967 GPRESSAVG: 1644400 2.69635 14.2324 -12.5274 10.9623 -0.371502 19.1073 -14.2287 16.2561 23.855 TIMING: 1644400 CPU: 4909.64, 0.00304133/step Wall: 4909.64, 0.00304133/step, 2.83486 hours remaining, 207.414062 MB of memory in use. ENERGY: 1644400 737.9908 2139.2687 1908.9681 117.8328 -205628.3347 17524.5403 0.0000 0.0000 34500.2377 -148699.4962 301.2992 -183199.7339 -148602.1505 300.2173 -246.9122 -216.4172 559406.2075 8.8288 8.7266 PRESSURE: 1644600 -369.414 -30.2708 76.5106 -30.2716 -118.939 -106.063 76.5112 -106.064 -57.4732 GPRESSURE: 1644600 -304.187 -136.004 6.29154 56.6845 -71.4547 -106.687 43.5378 -122.83 -67.2546 PRESSAVG: 1644600 -74.0836 29.0648 30.4577 29.0647 9.26713 -18.8014 30.4576 -18.8016 51.2587 GPRESSAVG: 1644600 -75.4985 27.2605 29.3786 30.4461 8.81774 -16.3987 29.0256 -19.9818 52.3641 TIMING: 1644600 CPU: 4910.25, 0.00303479/step Wall: 4910.25, 0.00303479/step, 2.82859 hours remaining, 207.414062 MB of memory in use. ENERGY: 1644600 769.1274 2057.5541 1933.7615 114.7360 -205523.6851 17443.1260 0.0000 0.0000 34534.4427 -148670.9374 301.5979 -183205.3801 -148573.8771 301.1442 -181.9421 -147.6322 559993.0575 -4.5192 -4.7722 PRESSURE: 1644800 207.97 -159.868 -114.716 -159.869 227.34 120.083 -114.716 120.083 77.0143 GPRESSURE: 1644800 257.496 -111.425 -108.982 -58.9888 236.497 81.5643 -127.039 132.24 111.67 PRESSAVG: 1644800 -53.8533 35.6331 -16.937 35.6331 9.06625 57.7 -16.937 57.7 78.6638 GPRESSAVG: 1644800 -53.1692 34.4046 -15.9464 36.3234 7.99044 53.5666 -18.1445 60.5963 78.8245 TIMING: 1644800 CPU: 4910.85, 0.00301224/step Wall: 4910.85, 0.00301224/step, 2.80741 hours remaining, 207.414062 MB of memory in use. ENERGY: 1644800 767.1968 2079.5388 1941.2153 111.5156 -206092.9975 18004.8813 0.0000 0.0000 34433.3835 -148755.2662 300.7153 -183188.6497 -148655.4319 300.9472 170.7745 201.8875 557940.4450 11.2923 11.2153 PRESSURE: 1645000 434.142 -258.625 14.1465 -258.625 -96.2356 64.4604 14.1465 64.4587 235.782 GPRESSURE: 1645000 399.583 -246.804 -18.6415 -272.575 -17.6551 76.1073 57.4999 32.1241 281.127 PRESSAVG: 1645000 -4.34823 -65.5827 -7.67586 -65.5827 1.47142 50.4817 -7.67584 50.4817 -4.37591 GPRESSAVG: 1645000 -5.07884 -64.148 -7.53961 -67.238 1.02371 52.0319 -5.42168 50.2424 -3.28937 TIMING: 1645000 CPU: 4911.46, 0.00305826/step Wall: 4911.46, 0.00305826/step, 2.85013 hours remaining, 207.414062 MB of memory in use. ENERGY: 1645000 724.9225 2143.9702 1930.7644 109.5764 -205972.8389 17875.5672 0.0000 0.0000 34287.5886 -148900.4498 299.4420 -183188.0384 -148812.0593 300.7384 191.2298 221.0182 557208.6816 -2.4176 -2.4482 PRESSURE: 1645200 -58.3655 -45.0549 -217.843 -45.0546 -104.622 -75.0271 -217.843 -75.0262 -31.8742 GPRESSURE: 1645200 -24.5607 -16.6009 -168.504 3.7499 -40.1569 -5.37608 -248.659 -18.1486 -39.2823 PRESSAVG: 1645200 -60.0693 -24.2717 -64.427 -24.2718 106.741 53.1916 -64.4269 53.1916 -0.104288 GPRESSAVG: 1645200 -59.0803 -22.4365 -67.0715 -25.561 107.336 52.6574 -63.11 53.6565 -1.68164 TIMING: 1645200 CPU: 4912.07, 0.00302862/step Wall: 4912.07, 0.00302862/step, 2.82233 hours remaining, 207.414062 MB of memory in use. ENERGY: 1645200 689.2333 2059.3427 1923.6966 114.1008 -205407.7922 17586.9847 0.0000 0.0000 34199.5999 -148834.8341 298.6736 -183034.4340 -148745.2692 300.2369 -64.9538 -34.6666 559043.8694 15.5225 15.5248 PRESSURE: 1645400 -65.9358 94.4283 -63.7802 94.4287 -225.006 43.2042 -63.7819 43.204 -196.172 GPRESSURE: 1645400 -76.2118 111.927 -62.0398 43.7914 -166.493 -20.0431 -48.6933 60.3508 -143.809 PRESSAVG: 1645400 -50.7165 78.284 -27.2885 78.284 100.664 -22.3429 -27.2885 -22.3429 -28.218 GPRESSAVG: 1645400 -51.255 75.6485 -25.2914 82.051 101.763 -22.1516 -28.2664 -21.498 -28.5056 TIMING: 1645400 CPU: 4912.67, 0.00301702/step Wall: 4912.67, 0.00301702/step, 2.81136 hours remaining, 207.414062 MB of memory in use. ENERGY: 1645400 743.5697 2075.0978 1925.1733 123.1588 -205554.5042 17392.4506 0.0000 0.0000 34410.9370 -148884.1168 300.5193 -183295.0539 -148790.8900 300.4482 -162.3711 -128.8380 557642.3121 7.2431 7.3343 PRESSURE: 1645600 74.9398 -181.523 -45.2739 -181.524 -133.105 21.8281 -45.2741 21.8299 48.7091 GPRESSURE: 1645600 106.084 -214.759 -12.2979 -155.752 -113.662 -65.9472 -14.9558 2.97484 108.695 PRESSAVG: 1645600 4.16366 19.1412 -12.1236 19.1412 6.73768 9.16466 -12.1236 9.16475 -0.0349762 GPRESSAVG: 1645600 4.63404 19.8937 -14.6015 16.7871 6.87315 10.3894 -10.3849 8.31219 -1.2001 TIMING: 1645600 CPU: 4913.28, 0.00304635/step Wall: 4913.28, 0.00304635/step, 2.83852 hours remaining, 207.414062 MB of memory in use. ENERGY: 1645600 752.3687 2103.5090 1938.1873 109.3991 -205578.6993 17624.9359 0.0000 0.0000 34282.2660 -148768.0333 299.3956 -183050.2993 -148674.0053 299.7508 -3.1522 33.7057 557810.7384 3.6221 3.4357 PRESSURE: 1645800 7.07711 150.765 -56.0612 150.765 49.8479 -146.038 -56.0606 -146.039 -87.1994 GPRESSURE: 1645800 0.542635 96.5299 -31.9469 194.769 67.8009 -136.155 8.13129 -77.8901 -9.12933 PRESSAVG: 1645800 25.0808 48.725 -23.9074 48.725 -5.34165 13.8553 -23.9075 13.8554 -60.6297 GPRESSAVG: 1645800 24.6995 48.6224 -22.5496 49.4115 -7.26211 14.6731 -24.1074 15.0506 -59.0598 TIMING: 1645800 CPU: 4913.89, 0.00305258/step Wall: 4913.89, 0.00305258/step, 2.84416 hours remaining, 207.414062 MB of memory in use. ENERGY: 1645800 751.5896 2076.7056 1940.7687 93.7310 -205585.8650 17532.9596 0.0000 0.0000 34388.6788 -148801.4317 300.3249 -183190.1105 -148706.7337 300.2192 -10.0915 19.7381 557225.2757 -13.6302 -13.8742 PRESSURE: 1646000 56.4973 -44.1459 -23.4578 -44.1471 -223.86 12.3734 -23.4565 12.3745 48.9914 GPRESSURE: 1646000 94.0546 6.02759 -53.8995 -77.5465 -209.747 109.666 -54.4598 4.59714 99.0227 PRESSAVG: 1646000 -44.9889 24.3211 -29.0467 24.3212 45.2047 -21.1842 -29.0467 -21.1843 -5.22583 GPRESSAVG: 1646000 -44.7617 25.5998 -27.1931 23.4063 44.8975 -23.5395 -30.4336 -21.5051 -5.06845 TIMING: 1646000 CPU: 4914.51, 0.00307588/step Wall: 4914.51, 0.00307588/step, 2.8657 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1646000 738.0523 2062.9810 1939.7069 110.2911 -205497.1460 17531.3977 0.0000 0.0000 34485.9453 -148628.7718 301.1743 -183114.7171 -148532.4412 300.6371 -39.4571 -5.5565 557530.1675 -1.6700 -1.6442 PRESSURE: 1646200 -113.646 32.699 -76.4582 32.6995 -131.176 160.752 -76.4591 160.753 -77.1327 GPRESSURE: 1646200 -57.1383 35.2312 -128.578 60.4792 -100.072 68.6041 -81.2402 39.5485 -64.9838 PRESSAVG: 1646200 19.6242 -0.473221 -15.4044 -0.473215 -53.8183 58.9882 -15.4045 58.9881 33.9173 GPRESSAVG: 1646200 18.5375 -2.15374 -16.6277 -0.550063 -52.8729 60.164 -14.8798 56.3394 33.8668 TIMING: 1646200 CPU: 4915.11, 0.00303062/step Wall: 4915.11, 0.00303062/step, 2.82336 hours remaining, 207.484375 MB of memory in use. ENERGY: 1646200 727.9418 2065.5515 1953.6981 100.0698 -205529.0792 17601.4596 0.0000 0.0000 34335.9964 -148744.3620 299.8648 -183080.3584 -148644.2740 301.0101 -107.3182 -74.0647 557627.7961 -0.0923 -0.1562 PRESSURE: 1646400 251.263 -135.198 129.426 -135.199 -24.1768 94.1647 129.427 94.1627 97.9614 GPRESSURE: 1646400 303.544 -164.577 169.924 -121.143 44.695 78.3912 140.539 12.0259 73.6476 PRESSAVG: 1646400 93.9658 -3.14125 42.9204 -3.1411 -6.58384 31.3937 42.9204 31.3937 -39.6696 GPRESSAVG: 1646400 94.8821 -1.46461 41.7524 -5.09695 -5.80735 31.1567 43.6733 33.4746 -42.0412 TIMING: 1646400 CPU: 4915.72, 0.0030183/step Wall: 4915.72, 0.0030183/step, 2.81171 hours remaining, 207.484375 MB of memory in use. ENERGY: 1646400 712.5360 2104.1605 1934.5797 109.5714 -205911.9177 17775.3060 0.0000 0.0000 34319.7404 -148956.0236 299.7228 -183275.7640 -148850.6037 300.1504 108.3493 140.6289 556909.9620 15.9041 15.6778 PRESSURE: 1646600 -123.067 19.0716 -172.163 19.07 81.5364 69.2346 -172.162 69.2352 126.422 GPRESSURE: 1646600 -131.669 100.731 -165.496 24.7442 138.095 43.5637 -117.591 13.543 178.5 PRESSAVG: 1646600 33.7336 -6.68149 -25.4498 -6.68153 2.08864 12.833 -25.4497 12.8329 -9.44074 GPRESSAVG: 1646600 33.0093 -6.91549 -23.3479 -5.58165 1.39613 14.7905 -26.8648 11.6363 -7.97391 TIMING: 1646600 CPU: 4916.32, 0.0029955/step Wall: 4916.32, 0.0029955/step, 2.79031 hours remaining, 207.484375 MB of memory in use. ENERGY: 1646600 764.5341 2100.2761 1929.4201 116.6171 -205962.9972 17809.1920 0.0000 0.0000 34436.8190 -148806.1388 300.7453 -183242.9578 -148713.3260 300.4639 28.2971 61.6422 556698.4498 8.7938 8.8105 PRESSURE: 1646800 20.0591 -23.3316 59.5529 -23.3321 -150.169 -1.67111 59.5546 -1.67086 16.4959 GPRESSURE: 1646800 55.2542 -16.8896 111.523 1.87398 -93.3002 29.7403 108.238 -41.6609 13.7005 PRESSAVG: 1646800 -8.40169 10.3811 -54.2202 10.3811 3.23672 21.2489 -54.2201 21.2489 -29.8611 GPRESSAVG: 1646800 -7.46378 9.86978 -56.1975 11.473 2.29022 21.7908 -52.6321 22.0091 -29.8101 TIMING: 1646800 CPU: 4916.92, 0.00300268/step Wall: 4916.92, 0.00300268/step, 2.79683 hours remaining, 207.484375 MB of memory in use. ENERGY: 1646800 736.7534 2081.2279 1929.7566 113.9240 -205826.3653 17669.9879 0.0000 0.0000 34369.3936 -148925.3219 300.1565 -183294.7155 -148834.5645 300.5725 -37.8714 -8.1152 557577.5474 -11.6754 -11.6612 PRESSURE: 1647000 -193.187 -23.3303 -111.436 -23.3295 -2.72956 281.34 -111.435 281.341 82.9919 GPRESSURE: 1647000 -150.136 -41.5994 -127.625 -31.6668 -0.678349 277.158 -109.041 251.637 134.252 PRESSAVG: 1647000 9.12132 -7.78664 -24.9379 -7.78652 -47.7264 85.7696 -24.9379 85.7697 72.8632 GPRESSAVG: 1647000 9.72337 -10.9034 -24.7703 -5.89495 -47.7125 81.1955 -23.4378 86.1481 71.9302 TIMING: 1647000 CPU: 4917.52, 0.00301361/step Wall: 4917.52, 0.00301361/step, 2.80684 hours remaining, 207.484375 MB of memory in use. ENERGY: 1647000 734.1012 2057.1650 1923.0860 121.3877 -205491.5288 17599.4194 0.0000 0.0000 34393.4367 -148662.9328 300.3664 -183056.3695 -148567.8037 300.9267 -37.6415 -5.5207 558555.0074 11.4194 11.3137 PRESSURE: 1647200 -139.656 81.6704 -177.91 81.6711 -271.953 123.003 -177.91 123.003 -229.179 GPRESSURE: 1647200 -140.078 91.808 -143.03 80.9151 -234.087 75.6831 -154.825 124.381 -177.441 PRESSAVG: 1647200 29.519 -4.73157 -25.8196 -4.73152 -45.5522 40.8143 -25.8195 40.8144 62.0777 GPRESSAVG: 1647200 28.9938 -2.484 -23.5868 -6.51894 -45.4425 43.4197 -29.0029 42.4669 62.6092 TIMING: 1647200 CPU: 4918.12, 0.00302579/step Wall: 4918.12, 0.00302579/step, 2.81802 hours remaining, 207.484375 MB of memory in use. ENERGY: 1647200 760.0753 2050.9951 1959.9894 110.6025 -205374.7947 17419.7845 0.0000 0.0000 34433.0232 -148640.3246 300.7122 -183073.3478 -148539.3817 300.6404 -213.5959 -183.8685 559254.8901 15.3482 15.3868 PRESSURE: 1647400 -45.0407 -94.0323 150.25 -94.0323 6.63761 -193.33 150.251 -193.332 -34.0685 GPRESSURE: 1647400 28.5482 -118.106 156.876 -94.1952 3.93719 -240.605 181.404 -161.306 -17.1845 PRESSAVG: 1647400 -12.5087 31.7083 0.181559 31.7083 -27.6468 -48.9045 0.181512 -48.9045 17.4576 GPRESSAVG: 1647400 -12.7264 31.4488 0.205077 31.51 -26.699 -47.2524 0.503352 -51.3883 16.7697 TIMING: 1647400 CPU: 4918.73, 0.00302126/step Wall: 4918.73, 0.00302126/step, 2.81364 hours remaining, 207.484375 MB of memory in use. ENERGY: 1647400 752.5899 2093.4110 1947.9011 103.9492 -205940.4620 17852.8333 0.0000 0.0000 34540.9887 -148648.7888 301.6550 -183189.7775 -148550.5551 301.2455 -24.1572 5.1003 557436.9463 -7.5660 -7.5519 PRESSURE: 1647600 128.944 58.9353 -18.3384 58.9348 237.896 75.0502 -18.337 75.0515 -126.36 GPRESSURE: 1647600 174.316 10.1067 15.4287 -28.4203 235.048 137.388 -74.357 -2.60845 -64.0398 PRESSAVG: 1647600 4.65312 14.7012 -36.907 14.7012 58.9687 -23.4562 -36.907 -23.4562 -42.2685 GPRESSAVG: 1647600 5.54751 15.4817 -39.2575 15.1422 57.8957 -26.5156 -35.0654 -22.435 -41.8819 TIMING: 1647600 CPU: 4919.33, 0.00301088/step Wall: 4919.33, 0.00301088/step, 2.8038 hours remaining, 207.484375 MB of memory in use. ENERGY: 1647600 734.3154 2131.8203 1915.2026 106.2009 -206059.1549 17934.8219 0.0000 0.0000 34532.1236 -148704.6703 301.5776 -183236.7939 -148619.1374 301.4435 80.1604 115.1082 558182.0164 7.1178 7.1871 PRESSURE: 1647800 -12.5821 26.7557 117.301 26.7558 108.052 7.21771 117.301 7.21683 -101.656 GPRESSURE: 1647800 2.40581 -27.7514 105.65 101.058 141.891 -26.5382 63.0073 48.8327 -51.4488 PRESSAVG: 1647800 17.4437 -45.3485 20.9749 -45.3485 38.3159 -16.4783 20.9749 -16.4783 -24.8661 GPRESSAVG: 1647800 16.9957 -45.7868 23.4802 -44.0582 38.2601 -15.1921 18.7422 -16.594 -24.5295 TIMING: 1647800 CPU: 4919.93, 0.00301529/step Wall: 4919.93, 0.00301529/step, 2.80774 hours remaining, 207.484375 MB of memory in use. ENERGY: 1647800 753.2904 2011.5556 1946.1071 117.4784 -205704.8383 17770.5953 0.0000 0.0000 34387.2231 -148718.5884 300.3122 -183105.8115 -148616.8951 300.8822 -2.0621 30.9494 558932.7169 10.2978 10.2421 PRESSURE: 1648000 39.4661 -170.256 2.18354 -170.256 -73.8074 30.3112 2.1855 30.3099 -176.138 GPRESSURE: 1648000 91.653 -203.777 -37.1859 -102.779 -41.5048 -10.4241 -50.1082 96.1564 -171.208 PRESSAVG: 1648000 -44.4181 -72.0062 20.9315 -72.0063 21.6103 3.22704 20.9316 3.22704 58.2911 GPRESSAVG: 1648000 -44.1687 -73.0121 18.936 -70.9057 22.0743 4.31786 20.7047 2.69585 57.4481 TIMING: 1648000 CPU: 4920.53, 0.00299297/step Wall: 4920.53, 0.00299297/step, 2.78679 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1648000 732.1520 2111.2572 1933.7133 115.2955 -205919.8775 17716.5153 0.0000 0.0000 34445.1121 -148865.8321 300.8177 -183310.9442 -148771.3240 300.6092 -70.1599 -40.3532 559462.6418 11.8278 11.7846 PRESSURE: 1648200 75.0233 -122.967 34.6056 -122.968 -264.516 -3.12666 34.6057 -3.12559 -34.34 GPRESSURE: 1648200 55.0781 -59.5735 41.9617 -218.873 -248.98 -24.5061 -15.9969 23.5151 57.9189 PRESSAVG: 1648200 62.9591 -1.39731 -0.919266 -1.39726 7.86432 16.4471 -0.91922 16.447 -65.2114 GPRESSAVG: 1648200 62.2546 -1.3877 -0.289835 -2.38238 7.79369 15.5566 -0.998812 16.2834 -64.7345 TIMING: 1648200 CPU: 4921.13, 0.00299326/step Wall: 4921.13, 0.00299326/step, 2.78689 hours remaining, 207.484375 MB of memory in use. ENERGY: 1648200 764.3306 2117.6202 1935.0604 117.4471 -205968.2957 17713.1825 0.0000 0.0000 34548.4624 -148772.1925 301.7203 -183320.6549 -148675.8961 300.7626 -74.6108 -45.3278 558405.4201 1.8707 1.7713 LDB: ============= START OF LOAD BALANCING ============== 4924.68 LDB: ============== END OF LOAD BALANCING =============== 4924.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4924.68 LDB: ============= START OF LOAD BALANCING ============== 4924.98 LDB: Largest compute 4773 load 0.027661 is 23.4% of average load 0.118213 LDB: Average compute 0.001745 is 1.5% of average load 0.118213 LDB: TIME 4924.99 LOAD: AVG 0.118213 MAX 0.209857 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 4924.99 LOAD: AVG 0.118213 MAX 0.209857 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.52 MB LDB: TIME 4924.99 LOAD: AVG 0.118213 MAX 0.209857 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4924.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4924.99 PRESSURE: 1648400 -171.191 -38.1805 24.2397 -38.1799 -79.3671 -102.835 24.2396 -102.835 31.7584 GPRESSURE: 1648400 -191.664 -73.1125 -62.4319 -1.75 9.73258 -17.5262 15.2099 -140.497 40.8463 PRESSAVG: 1648400 -5.35812 -1.14975 -11.8393 -1.14973 18.2627 -16.1805 -11.8393 -16.1804 10.5837 GPRESSAVG: 1648400 -5.38202 -1.97364 -12.4704 -1.11548 18.698 -16.7996 -9.34425 -15.159 10.6066 TIMING: 1648400 CPU: 4921.74, 0.00305996/step Wall: 4921.74, 0.00305996/step, 2.84883 hours remaining, 205.804688 MB of memory in use. ENERGY: 1648400 740.4907 2122.4389 1934.3285 117.8535 -205761.8143 17640.1743 0.0000 0.0000 34354.6439 -148851.8846 300.0276 -183206.5285 -148755.7815 300.5522 -72.9331 -47.0284 559146.2099 7.8294 7.9742 PRESSURE: 1648600 152.312 11.9217 -185.134 11.9228 119.199 -167.788 -185.135 -167.788 -304.14 GPRESSURE: 1648600 123.621 15.5979 -213.246 10.6605 201.083 -212.784 -118.618 -35.498 -259.57 PRESSAVG: 1648600 24.2587 14.6171 -6.22546 14.617 7.0959 19.3687 -6.22546 19.3687 -50.5611 GPRESSAVG: 1648600 25.661 16.3507 -6.74128 16.0564 7.07568 21.2988 -6.55172 18.9238 -51.7168 TIMING: 1648600 CPU: 4922.34, 0.00300836/step Wall: 4922.34, 0.00300836/step, 2.80062 hours remaining, 205.804688 MB of memory in use. ENERGY: 1648600 762.3658 2086.7000 1932.7842 120.4866 -205901.3536 17845.6736 0.0000 0.0000 34327.0506 -148826.2928 299.7867 -183153.3434 -148724.1004 300.8286 -10.8762 21.7116 557643.6097 -6.4022 -6.3267 PRESSURE: 1648800 64.9692 86.897 -140.929 86.8972 -267.774 8.30387 -140.929 8.30617 -233.237 GPRESSURE: 1648800 20.7846 62.6734 -135.02 40.3378 -191.015 -126.838 -77.8364 59.9338 -170.558 PRESSAVG: 1648800 26.856 1.90549 -7.1613 1.90556 16.9697 -5.75399 -7.16123 -5.75388 -16.4523 GPRESSAVG: 1648800 26.7055 0.93185 -5.96968 0.291289 17.1577 -6.64643 -10.3169 -6.35085 -16.544 TIMING: 1648800 CPU: 4922.94, 0.00297058/step Wall: 4922.94, 0.00297058/step, 2.76528 hours remaining, 205.804688 MB of memory in use. ENERGY: 1648800 747.5546 2079.4255 1934.0204 114.1458 -205499.0079 17460.3349 0.0000 0.0000 34292.5689 -148870.9578 299.4855 -183163.5267 -148764.4334 300.1170 -145.3475 -113.5960 558983.0986 9.1244 9.1064 PRESSURE: 1649000 289.654 -90.3559 42.2237 -90.3559 227.388 -115.792 42.2258 -115.79 42.1603 GPRESSURE: 1649000 298.431 -17.0318 -18.8598 -80.6201 293.412 -108.332 67.4185 -79.0715 62.8344 PRESSAVG: 1649000 43.6701 -17.5201 -31.8963 -17.5202 39.9823 -50.3622 -31.8964 -50.3621 -52.0248 GPRESSAVG: 1649000 42.2242 -19.0903 -31.6446 -15.9501 39.3894 -50.2582 -31.9456 -50.5421 -50.4249 TIMING: 1649000 CPU: 4923.53, 0.00297167/step Wall: 4923.53, 0.00297167/step, 2.76613 hours remaining, 205.804688 MB of memory in use. ENERGY: 1649000 735.0503 2063.0903 1939.2905 120.9810 -206028.2079 17953.6325 0.0000 0.0000 34409.2646 -148806.8986 300.5047 -183216.1632 -148705.7483 300.2112 186.4007 218.2258 557495.6575 10.5425 10.3962 PRESSURE: 1649200 78.8039 -72.831 -93.4759 -72.8312 -207.222 83.3079 -93.4762 83.3069 -145.8 GPRESSURE: 1649200 47.1443 -19.2225 -15.5577 -133.284 -115.094 42.9336 -114.129 61.312 -112.352 PRESSAVG: 1649200 28.6173 -16.6326 16.3929 -16.6326 -5.886 -3.61669 16.3929 -3.61667 -16.4512 GPRESSAVG: 1649200 30.3226 -15.3789 15.8075 -18.2695 -6.61398 -5.75761 17.2174 -2.4666 -17.3934 TIMING: 1649200 CPU: 4924.13, 0.00298747/step Wall: 4924.13, 0.00298747/step, 2.78067 hours remaining, 205.804688 MB of memory in use. ENERGY: 1649200 771.3586 2026.5432 1928.2333 112.9193 -205411.9194 17480.2714 0.0000 0.0000 34524.4605 -148568.1330 301.5107 -183092.5936 -148468.7704 301.1258 -91.4061 -60.1004 557962.6215 2.0934 2.1051 PRESSURE: 1649400 57.6328 -238.82 9.77194 -238.82 -157.324 -47.5594 9.77072 -47.5598 -71.1654 GPRESSURE: 1649400 94.5923 -191.194 -22.7299 -288.289 -140.897 -84.8709 2.41706 -28.5465 -31.7929 PRESSAVG: 1649400 24.616 16.201 37.8566 16.201 -25.9749 34.5264 37.8565 34.5264 -11.5684 GPRESSAVG: 1649400 23.794 15.641 36.9192 15.8638 -24.4813 35.5916 38.2084 33.8356 -12.9509 TIMING: 1649400 CPU: 4924.73, 0.00299971/step Wall: 4924.73, 0.00299971/step, 2.7919 hours remaining, 205.804688 MB of memory in use. ENERGY: 1649400 758.8547 2174.6763 1911.2216 110.6562 -205824.1891 17683.8198 0.0000 0.0000 34628.8429 -148556.1175 302.4223 -183184.9604 -148461.9220 301.4049 -56.9520 -26.0327 557998.6940 -4.3091 -4.5461 PRESSURE: 1649600 236.838 -139.025 -38.333 -139.025 334.519 -47.5962 -38.3331 -47.5952 -268.677 GPRESSURE: 1649600 256.423 -108.552 -28.9655 -58.7117 364.41 -44.1434 -52.0552 28.6255 -219.518 PRESSAVG: 1649600 72.1328 -23.1383 33.4225 -23.1383 16.5708 -54.4405 33.4226 -54.4406 -80.9788 GPRESSAVG: 1649600 72.0296 -23.0126 33.7682 -23.4659 15.1692 -54.5541 33.3952 -56.1271 -79.789 TIMING: 1649600 CPU: 4925.33, 0.00298691/step Wall: 4925.33, 0.00298691/step, 2.77982 hours remaining, 205.804688 MB of memory in use. ENERGY: 1649600 771.1253 2150.5669 1901.1257 114.4211 -206173.6775 17956.3211 0.0000 0.0000 34630.7244 -148649.3928 302.4387 -183280.1172 -148547.7680 301.3513 100.8937 133.7717 557975.3891 2.5749 2.4699 PRESSURE: 1649800 -178.552 -64.2164 84.4684 -64.2166 248.007 44.0196 84.4678 44.0205 -59.2823 GPRESSURE: 1649800 -114.671 -18.1219 31.0731 -140.24 270.793 4.20706 51.5132 126.008 -53.5564 PRESSAVG: 1649800 -18.0206 -22.6201 -15.6951 -22.6201 35.9516 -47.8004 -15.6951 -47.8004 12.9658 GPRESSAVG: 1649800 -18.0518 -21.4822 -16.023 -24.1407 36.6459 -47.0035 -15.9654 -44.7506 12.6679 TIMING: 1649800 CPU: 4925.92, 0.00297458/step Wall: 4925.92, 0.00297458/step, 2.76818 hours remaining, 205.804688 MB of memory in use. ENERGY: 1649800 757.9069 2103.2963 1953.9721 115.0848 -205827.1527 17702.6343 0.0000 0.0000 34400.5221 -148793.7362 300.4283 -183194.2583 -148694.7069 300.7476 3.3910 34.1887 557744.3486 10.2989 10.4207 PRESSURE: 1650000 108.647 45.3813 -74.7906 45.3797 174.11 33.2321 -74.7928 33.2324 -32.3571 GPRESSURE: 1650000 131.598 -65.1778 -55.8372 62.0517 207.729 95.1203 -16.2638 -44.3916 0.555187 PRESSAVG: 1650000 -15.8844 0.13054 19.0369 0.130526 74.4693 -42.6166 19.0369 -42.6166 -35.8727 GPRESSAVG: 1650000 -15.9187 -2.7094 20.3033 3.87784 74.7426 -41.8753 19.7862 -45.4863 -35.7191 TIMING: 1650000 CPU: 4926.52, 0.00296195/step Wall: 4926.52, 0.00296195/step, 2.75626 hours remaining, 205.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1650000 720.8135 2124.3905 1924.7985 114.4621 -205796.1161 17692.0038 0.0000 0.0000 34567.7207 -148651.9269 301.8885 -183219.6476 -148554.3948 300.3784 83.4667 113.2941 556346.6219 7.5708 7.7016 PRESSURE: 1650200 -214.655 -80.8168 30.287 -80.8178 91.9394 136.111 30.2886 136.112 -241.096 GPRESSURE: 1650200 -176.746 -84.5589 -4.22086 -58.0121 141.38 103.77 -0.768037 110.179 -224.959 PRESSAVG: 1650200 26.5588 -55.7302 16.7867 -55.7302 45.0027 -43.6235 16.7868 -43.6234 -53.4481 GPRESSAVG: 1650200 27.1927 -54.5511 14.95 -55.6428 44.4872 -45.5741 16.8846 -41.0111 -53.8794 TIMING: 1650200 CPU: 4927.11, 0.00297289/step Wall: 4927.11, 0.00297289/step, 2.76627 hours remaining, 205.804688 MB of memory in use. ENERGY: 1650200 720.4008 2111.0573 1942.9383 127.9905 -205610.1421 17470.1288 0.0000 0.0000 34672.9598 -148564.6667 302.8076 -183237.6265 -148471.1024 301.4716 -121.2708 -86.7752 557330.3647 6.0378 5.9335 PRESSURE: 1650400 -150.777 -49.6036 -30.9168 -49.6033 -237.893 -22.3611 -30.9169 -22.3612 -75.6796 GPRESSURE: 1650400 -130.641 -45.2504 -148.804 32.1733 -216.51 -85.9028 36.0661 29.9633 -31.082 PRESSAVG: 1650400 1.16626 -2.91587 -18.0516 -2.91572 14.0799 -0.977607 -18.0516 -0.977515 -16.5822 GPRESSAVG: 1650400 1.63124 -1.86165 -16.9188 -6.00584 14.0836 -1.56678 -18.5124 -0.88689 -16.3863 TIMING: 1650400 CPU: 4927.71, 0.00299051/step Wall: 4927.71, 0.00299051/step, 2.78251 hours remaining, 205.804688 MB of memory in use. ENERGY: 1650400 769.4630 2119.3629 1969.4197 123.6727 -205566.8316 17497.4332 0.0000 0.0000 34608.6015 -148478.8785 302.2455 -183087.4800 -148383.9499 301.6742 -154.7832 -126.0779 559262.3092 -0.4453 -0.2238 PRESSURE: 1650600 -92.8979 20.4039 -67.8775 20.4049 -171.801 -29.0924 -67.8788 -29.0934 -250.075 GPRESSURE: 1650600 -78.1693 106.244 -49.6998 -32.0375 -139.244 -52.4845 -43.9375 -136.518 -180.599 PRESSAVG: 1650600 10.9757 17.0946 0.98623 17.0948 0.194099 -34.2478 0.986191 -34.2478 5.95286 GPRESSAVG: 1650600 10.189 16.5239 1.63941 19.2963 0.42792 -31.9398 -0.77257 -35.9505 6.58758 TIMING: 1650600 CPU: 4928.31, 0.00299162/step Wall: 4928.31, 0.00299162/step, 2.78337 hours remaining, 205.804688 MB of memory in use. ENERGY: 1650600 730.3608 2044.9405 1923.2692 129.2772 -205770.5741 17605.2692 0.0000 0.0000 34730.3613 -148607.0958 303.3089 -183337.4571 -148509.3263 301.8964 -171.5911 -132.6708 559240.5165 5.7076 5.7348 PRESSURE: 1650800 -104.681 66.4545 -46.0318 66.4543 167.129 -157.977 -46.0314 -157.976 -21.4205 GPRESSURE: 1650800 -53.4227 13.1636 77.6364 31.5926 160.895 -63.5011 -72.4343 -205.199 27.6482 PRESSAVG: 1650800 -57.0708 45.2698 43.5047 45.2697 17.2429 -10.0991 43.5049 -10.0989 51.7901 GPRESSAVG: 1650800 -55.7278 45.3333 44.6892 42.5045 17.1817 -10.844 45.1999 -8.17007 51.0454 TIMING: 1650800 CPU: 4928.91, 0.0029947/step Wall: 4928.91, 0.0029947/step, 2.78607 hours remaining, 205.804688 MB of memory in use. ENERGY: 1650800 751.1413 2111.0217 1940.8833 110.1984 -205818.8330 17666.5790 0.0000 0.0000 34704.1979 -148534.8114 303.0804 -183239.0093 -148438.8871 301.5309 13.6761 45.0401 556368.3168 3.9874 4.1664 PRESSURE: 1651000 -31.9376 -15.2187 114.931 -15.2193 131.605 -112.039 114.931 -112.039 135.692 GPRESSURE: 1651000 -13.6992 -94.7991 0.329118 57.2138 192.438 -3.55984 70.8452 -93.1144 158.671 PRESSAVG: 1651000 12.7646 40.2006 -14.0753 40.2006 -17.8057 -17.6231 -14.0753 -17.623 19.725 GPRESSAVG: 1651000 12.1117 39.6253 -17.1811 43.0972 -16.8918 -19.0196 -13.8706 -17.0596 18.5592 TIMING: 1651000 CPU: 4929.5, 0.00298792/step Wall: 4929.5, 0.00298792/step, 2.7796 hours remaining, 205.804688 MB of memory in use. ENERGY: 1651000 754.8810 2031.7978 1919.2224 108.1636 -205734.8178 17772.1103 0.0000 0.0000 34455.7311 -148692.9116 300.9105 -183148.6427 -148594.5031 301.5472 78.4530 112.4699 556890.3897 4.8946 4.5930 PRESSURE: 1651200 -24.4516 173.64 -2.8827 173.64 -179.831 36.6949 -2.88233 36.6957 -297.039 GPRESSURE: 1651200 -11.8246 214.932 -4.96554 154.395 -182.26 8.8761 55.2179 8.87541 -219.218 PRESSAVG: 1651200 2.35057 30.4171 28.368 30.417 -13.3261 -25.7058 28.368 -25.7058 37.695 GPRESSAVG: 1651200 1.7196 29.0923 29.0053 30.7806 -13.4516 -23.9678 26.5917 -27.8259 38.0442 TIMING: 1651200 CPU: 4930.1, 0.00298354/step Wall: 4930.1, 0.00298354/step, 2.77536 hours remaining, 205.804688 MB of memory in use. ENERGY: 1651200 710.2765 2055.3919 1956.6770 119.2903 -205693.1418 17562.7984 0.0000 0.0000 34456.9105 -148831.7972 300.9208 -183288.7077 -148733.7135 301.6263 -167.1074 -137.7676 558612.7890 8.9065 8.7707 PRESSURE: 1651400 -108.001 11.1822 -87.0703 11.1825 184.29 59.8601 -87.0708 59.8597 121.735 GPRESSURE: 1651400 -81.6859 -39.8652 -71.4326 -28.7761 186.541 144.571 -89.7808 47.0645 194.731 PRESSAVG: 1651400 28.3284 25.0344 -17.0518 25.0343 -28.6269 10.9179 -17.0518 10.9179 -19.2509 GPRESSAVG: 1651400 29.3836 27.0023 -16.3496 22.8014 -30.0956 11.1575 -16.0312 12.6233 -18.919 TIMING: 1651400 CPU: 4930.7, 0.00298711/step Wall: 4930.7, 0.00298711/step, 2.77851 hours remaining, 205.804688 MB of memory in use. ENERGY: 1651400 720.4783 2053.9425 1943.7308 118.9646 -206104.4974 17878.2456 0.0000 0.0000 34528.3767 -148860.7588 301.5449 -183389.1355 -148759.8591 300.6657 66.0081 99.8621 556712.3938 -6.5164 -6.5436 PRESSURE: 1651600 -8.23429 -18.0342 37.7246 -18.0339 -21.1973 54.5087 37.7246 54.5097 52.3455 GPRESSURE: 1651600 -24.3017 -15.5851 4.93546 36.3632 9.4435 26.07 -3.1718 108.979 128.649 PRESSAVG: 1651600 -7.37971 -21.7466 -27.1784 -21.7466 11.4901 -11.2003 -27.1783 -11.2004 50.4423 GPRESSAVG: 1651600 -7.41097 -22.8745 -27.6962 -21.9814 11.4044 -12.1239 -26.4162 -10.9374 50.4124 TIMING: 1651600 CPU: 4931.3, 0.00300186/step Wall: 4931.3, 0.00300186/step, 2.79206 hours remaining, 205.804688 MB of memory in use. ENERGY: 1651600 763.9258 2047.7508 1910.6360 110.8084 -206026.0821 17747.9016 0.0000 0.0000 34316.3462 -149128.7134 299.6932 -183445.0596 -149026.8741 300.4096 7.6380 37.9302 556111.8316 18.1843 18.1353 PRESSURE: 1651800 -137.808 31.6786 67.355 31.6796 -82.1269 112.883 67.3564 112.885 14.4494 GPRESSURE: 1651800 -155.354 10.9245 22.4109 68.9428 -33.147 57.6645 75.6177 115.071 71.7623 PRESSAVG: 1651800 -30.1388 -50.2297 15.9599 -50.2297 -45.3683 48.3892 15.9599 48.3892 55.4387 GPRESSAVG: 1651800 -30.9326 -50.9988 15.2692 -48.3017 -45.0561 48.2985 16.681 46.4876 55.6878 TIMING: 1651800 CPU: 4931.9, 0.00300042/step Wall: 4931.9, 0.00300042/step, 2.79056 hours remaining, 205.804688 MB of memory in use. ENERGY: 1651800 734.4056 2060.1980 1925.0394 110.1353 -205856.9937 17622.8737 0.0000 0.0000 34295.7859 -149108.5558 299.5136 -183404.3417 -149019.0046 300.1327 -68.4952 -38.9128 556920.3211 -6.6895 -6.7670 PRESSURE: 1652000 -98.9755 -11.0374 32.7433 -11.0375 -91.4608 161.261 32.7437 161.261 -48.8943 GPRESSURE: 1652000 -16.3717 -112.977 73.1142 54.8214 -46.5276 115.507 8.21037 205.357 -78.0364 PRESSAVG: 1652000 39.8674 4.88153 -82.5219 4.88155 -26.1143 61.1627 -82.5219 61.1626 -17.7376 GPRESSAVG: 1652000 39.7863 4.16234 -82.8753 5.04514 -25.832 61.9097 -81.8071 62.3879 -17.5322 TIMING: 1652000 CPU: 4932.5, 0.00302586/step Wall: 4932.5, 0.00302586/step, 2.81405 hours remaining, 205.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1652000 741.5220 2055.0549 1916.7579 123.5094 -205875.5649 17651.7467 0.0000 0.0000 34451.5024 -148935.4715 300.8735 -183386.9740 -148844.9995 300.7107 -79.7769 -46.9786 558968.2424 -1.3281 -1.1927 PRESSURE: 1652200 230.521 181.009 106.06 181.009 88.9664 -66.9518 106.06 -66.9512 437.604 GPRESSURE: 1652200 249.365 203.924 108.1 172.565 120.783 49.7243 172.263 -86.6854 499.475 PRESSAVG: 1652200 12.2579 -9.65733 -19.476 -9.65736 -3.57009 30.1522 -19.4759 30.1521 31.518 GPRESSAVG: 1652200 13.4402 -8.42493 -16.5012 -9.00207 -4.20302 30.3677 -22.5829 28.7829 31.3751 TIMING: 1652200 CPU: 4933.1, 0.00299195/step Wall: 4933.1, 0.00299195/step, 2.78235 hours remaining, 205.804688 MB of memory in use. ENERGY: 1652200 747.7532 2036.9597 1928.1649 127.4231 -206487.3883 18261.7401 0.0000 0.0000 34152.7439 -149232.6035 298.2644 -183385.3474 -149139.5396 299.9079 252.3637 289.8743 557485.7532 13.4020 13.5375 LDB: ============= START OF LOAD BALANCING ============== 4936.65 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4936.65 LDB: =============== DONE WITH MIGRATION ================ 4936.65 LDB: ============= START OF LOAD BALANCING ============== 4936.95 LDB: Largest compute 4773 load 0.027135 is 23.0% of average load 0.118147 LDB: Average compute 0.001732 is 1.5% of average load 0.118147 LDB: TIME 4936.96 LOAD: AVG 0.118147 MAX 0.212793 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.828 MB LDB: TIME 4936.96 LOAD: AVG 0.118147 MAX 0.212793 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.031 MB LDB: TIME 4936.96 LOAD: AVG 0.118147 MAX 0.212793 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.031 MB LDB: ============== END OF LOAD BALANCING =============== 4936.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4936.96 PRESSURE: 1652400 -101.564 41.6252 -104.186 41.6255 -258.65 -96.4869 -104.187 -96.4868 171.771 GPRESSURE: 1652400 -57.6573 137.251 -106.334 33.8487 -243.785 -164.415 -79.1209 -89.5609 210.857 PRESSAVG: 1652400 28.4634 20.3917 -40.5014 20.3917 -44.5728 17.09 -40.5014 17.0902 -5.01117 GPRESSAVG: 1652400 26.7199 20.6812 -41.6556 18.7974 -43.1221 15.6634 -37.6605 19.028 -4.35271 TIMING: 1652400 CPU: 4933.71, 0.00305282/step Wall: 4933.71, 0.00305282/step, 2.83878 hours remaining, 207.726562 MB of memory in use. ENERGY: 1652400 743.8619 2123.1336 1957.0471 119.3246 -206059.3411 17767.9729 0.0000 0.0000 34177.5200 -149170.4809 298.4808 -183348.0009 -149075.6490 299.3302 -62.8143 -30.1950 557704.9150 -7.0402 -6.9183 PRESSURE: 1652600 5.35215 41.6947 22.9117 41.6949 -146.325 -33.2931 22.9126 -33.294 -24.1347 GPRESSURE: 1652600 20.8142 -32.0196 47.446 20.2313 -111.494 38.5412 -3.79206 -46.9594 20.2677 PRESSAVG: 1652600 54.6014 1.62091 -25.7663 1.62091 -150.5 -13.275 -25.7663 -13.275 62.7154 GPRESSAVG: 1652600 56.3015 2.24212 -25.9793 1.79543 -150.949 -10.8586 -28.1756 -16.6339 61.0748 TIMING: 1652600 CPU: 4934.31, 0.0029989/step Wall: 4934.31, 0.0029989/step, 2.78848 hours remaining, 207.984375 MB of memory in use. ENERGY: 1652600 787.0624 2070.7563 1946.2693 112.5696 -206053.4463 17746.5071 0.0000 0.0000 34093.1545 -149297.1271 297.7440 -183390.2816 -149206.4980 299.3451 -55.0359 -23.4707 556935.7756 -11.0611 -11.1910 PRESSURE: 1652800 104.673 -175.109 129.282 -175.11 -162.598 -88.956 129.281 -88.9561 -38.6188 GPRESSURE: 1652800 137.29 -161.472 189.314 -150.549 -100.777 -19.9808 43.7966 -137.472 -36.9548 PRESSAVG: 1652800 -1.618 4.38932 12.4145 4.38925 8.87658 20.7354 12.4144 20.7354 11.1826 GPRESSAVG: 1652800 -2.18619 4.30436 12.832 3.47884 10.1169 21.1766 12.8407 23.4598 10.297 TIMING: 1652800 CPU: 4934.91, 0.00297954/step Wall: 4934.91, 0.00297954/step, 2.77031 hours remaining, 207.984375 MB of memory in use. ENERGY: 1652800 706.9434 2052.1817 1917.0182 105.2408 -205991.5921 17530.8135 0.0000 0.0000 34232.2784 -149447.1162 298.9590 -183679.3946 -149351.0691 298.0424 -32.1811 -0.1472 557332.7950 6.1471 6.0759 PRESSURE: 1653000 115.23 -36.3251 40.6403 -36.3243 -51.2512 184.033 40.6406 184.033 61.3392 GPRESSURE: 1653000 144.401 0.984541 74.4467 -31.9135 -40.3028 163.545 5.01191 119.953 133.437 PRESSAVG: 1653000 -22.5001 11.9179 24.0056 11.9179 -31.8423 29.1489 24.0055 29.149 68.7495 GPRESSAVG: 1653000 -23.0691 11.964 21.1417 12.4881 -33.2464 26.7608 26.3274 29.1969 71.0086 TIMING: 1653000 CPU: 4935.51, 0.00299397/step Wall: 4935.51, 0.00299397/step, 2.78356 hours remaining, 207.984375 MB of memory in use. ENERGY: 1653000 737.1808 2059.9183 1941.0128 116.4131 -206323.5553 17864.2453 0.0000 0.0000 34290.6843 -149314.1006 299.4691 -183604.7850 -149216.7275 299.6344 41.7727 79.1785 557237.1869 4.8023 4.8977 PRESSURE: 1653200 -212.984 -155.736 132.337 -155.736 -48.7648 -3.25623 132.337 -3.25622 -190.577 GPRESSURE: 1653200 -139.874 -100.64 17.8485 -124.936 -23.268 -15.0815 130.484 -4.59119 -185.498 PRESSAVG: 1653200 -11.1058 -66.6616 36.2691 -66.6616 -20.828 11.844 36.2692 11.844 3.94185 GPRESSAVG: 1653200 -11.1933 -67.5722 37.4121 -66.0074 -19.3878 14.7152 35.9515 9.77414 3.01937 TIMING: 1653200 CPU: 4936.11, 0.00299914/step Wall: 4936.11, 0.00299914/step, 2.7882 hours remaining, 207.984375 MB of memory in use. ENERGY: 1653200 792.0336 2082.5693 1939.2347 108.7367 -205900.5909 17606.1506 0.0000 0.0000 34159.8880 -149211.9780 298.3268 -183371.8660 -149127.7191 298.5871 -150.7752 -116.2135 557588.2256 -9.3307 -9.1873 PRESSURE: 1653400 213.316 93.3343 -13.6842 93.3344 -83.7866 151.69 -13.685 151.689 -7.77411 GPRESSURE: 1653400 205.392 68.3944 11.6402 36.913 -17.3122 189.517 98.5421 177.097 33.5681 PRESSAVG: 1653400 66.2673 35.018 38.4155 35.018 -40.428 -8.91594 38.4154 -8.91601 -2.3028 GPRESSAVG: 1653400 66.3838 36.7401 38.499 32.1166 -41.2487 -11.2523 37.485 -5.74167 -1.95855 TIMING: 1653400 CPU: 4936.71, 0.00300096/step Wall: 4936.71, 0.00300096/step, 2.78973 hours remaining, 207.984375 MB of memory in use. ENERGY: 1653400 712.6650 2051.8334 1953.9143 115.8349 -205922.1159 17739.0644 0.0000 0.0000 34121.0737 -149227.7302 297.9878 -183348.8039 -149126.6265 299.1630 40.5850 73.8827 558083.2293 7.8455 7.7255 PRESSURE: 1653600 17.3217 103.156 107.626 103.156 -244.547 -107.507 107.625 -107.506 -90.5595 GPRESSURE: 1653600 38.6677 145.59 -3.47271 46.4309 -254.224 -166.106 129.462 -112.226 -7.46074 PRESSAVG: 1653600 5.42031 16.6806 27.5869 16.6807 -23.0397 2.63499 27.5869 2.635 17.7593 GPRESSAVG: 1653600 6.55608 16.3016 27.925 18.7496 -24.311 4.61578 29.5037 -0.041322 17.7318 TIMING: 1653600 CPU: 4937.31, 0.00299847/step Wall: 4937.31, 0.00299847/step, 2.78725 hours remaining, 207.984375 MB of memory in use. ENERGY: 1653600 760.6935 2074.0963 1935.8136 109.9852 -206172.9517 17754.8738 0.0000 0.0000 34161.2590 -149376.2303 298.3388 -183537.4893 -149274.5150 298.4518 -105.9282 -74.3390 559388.1811 0.0467 -0.0077 PRESSURE: 1653800 -217.626 -3.89969 49.5477 -3.89996 -199.949 -197.641 49.5474 -197.641 54.9538 GPRESSURE: 1653800 -221.18 -44.2603 90.5039 14.2218 -193.598 -149.006 26.2283 -204.73 145.326 PRESSAVG: 1653800 57.0549 30.0582 -0.462326 30.0581 -75.4808 -56.5502 -0.462433 -56.5504 -11.1782 GPRESSAVG: 1653800 57.5784 28.7309 -0.631637 29.6702 -75.0085 -58.9591 -1.00526 -55.5271 -12.0792 TIMING: 1653800 CPU: 4937.9, 0.0029828/step Wall: 4937.9, 0.0029828/step, 2.77251 hours remaining, 207.984375 MB of memory in use. ENERGY: 1653800 750.2274 2130.6742 1962.1284 119.9050 -206304.3390 17692.0528 0.0000 0.0000 34292.1023 -149357.2489 299.4815 -183649.3513 -149264.3180 298.9101 -120.8736 -89.8173 557675.7218 -9.8680 -9.8364 PRESSURE: 1654000 13.9305 -207.598 -68.3464 -207.6 99.9265 26.426 -68.346 26.4253 123.12 GPRESSURE: 1654000 111.772 -251.27 -107.642 -237.424 129.535 6.12221 -77.2368 39.0019 85.9465 PRESSAVG: 1654000 41.976 -23.8168 32.9581 -23.8168 -33.381 -58.2102 32.958 -58.2102 7.53555 GPRESSAVG: 1654000 41.4275 -25.0482 33.5623 -23.4559 -32.5761 -54.7426 32.5323 -58.92 7.28289 TIMING: 1654000 CPU: 4938.5, 0.00298194/step Wall: 4938.5, 0.00298194/step, 2.77155 hours remaining, 207.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1654000 759.3192 2060.8932 1967.9516 123.1995 -206748.0943 18155.9828 0.0000 0.0000 34391.0987 -149289.6494 300.3460 -183680.7480 -149185.1341 299.3422 78.9922 109.0845 557207.4536 5.3768 5.3781 PRESSURE: 1654200 12.9409 -55.4927 -54.7091 -55.4922 161.895 -205.808 -54.7087 -205.808 -41.0927 GPRESSURE: 1654200 62.2318 -142.341 -55.2925 -43.7845 239.065 -129.827 -88.3339 -177.446 -73.7471 PRESSAVG: 1654200 52.2468 -8.49006 -24.0069 -8.48996 -23.977 0.591932 -24.0069 0.591803 -38.183 GPRESSAVG: 1654200 52.0937 -6.65664 -23.7343 -8.99596 -24.1464 -1.56369 -25.562 0.163298 -38.17 TIMING: 1654200 CPU: 4939.1, 0.00299523/step Wall: 4939.1, 0.00299523/step, 2.78373 hours remaining, 207.984375 MB of memory in use. ENERGY: 1654200 769.0443 2140.6644 1921.2654 126.5224 -206652.7984 17991.1273 0.0000 0.0000 34353.1209 -149351.0536 300.0143 -183704.1746 -149256.7355 299.4000 44.5812 75.8499 556658.8390 -3.3044 -3.4075 PRESSURE: 1654400 -13.463 23.8116 92.3043 23.8128 245.776 -39.4969 92.3046 -39.4971 -43.5947 GPRESSURE: 1654400 -2.06772 -103.48 21.1728 77.0183 302.829 -56.0967 164.718 -7.18518 -17.6445 PRESSAVG: 1654400 32.7683 -48.6011 34.6999 -48.6011 40.4038 -52.9382 34.7 -52.9382 -37.7154 GPRESSAVG: 1654400 33.235 -50.5769 33.9084 -45.1841 39.6926 -53.0237 36.5632 -52.6292 -37.4502 TIMING: 1654400 CPU: 4939.7, 0.00300091/step Wall: 4939.7, 0.00300091/step, 2.78884 hours remaining, 207.984375 MB of memory in use. ENERGY: 1654400 751.9216 2145.0181 1907.5980 112.7516 -206373.5317 17887.7111 0.0000 0.0000 34301.1257 -149267.4056 299.5603 -183568.5313 -149174.2373 299.2496 62.9062 94.3723 557501.1321 11.8189 11.8258 PRESSURE: 1654600 170.347 130.925 -149.85 130.925 82.1224 155.598 -149.849 155.6 -192.683 GPRESSURE: 1654600 224.469 163.618 -133.51 215.01 85.5695 196.205 -194.902 146.701 -147.569 PRESSAVG: 1654600 -1.91374 37.5488 51.3644 37.5488 -15.7114 -48.3839 51.3644 -48.3839 19.5663 GPRESSAVG: 1654600 -2.99526 37.905 51.4004 37.6385 -14.7649 -49.6075 52.6219 -47.2395 19.4496 TIMING: 1654600 CPU: 4940.3, 0.00300212/step Wall: 4940.3, 0.00300212/step, 2.78981 hours remaining, 207.984375 MB of memory in use. ENERGY: 1654600 758.2298 2062.3868 1926.6229 132.9536 -206030.6850 17872.5609 0.0000 0.0000 34089.0869 -149188.8440 297.7085 -183277.9310 -149100.4929 299.9103 19.9288 54.1567 557824.7733 0.6471 0.5632 PRESSURE: 1654800 113.703 -112.826 142.028 -112.826 189.831 158.87 142.028 158.871 -155.347 GPRESSURE: 1654800 223.215 -99.343 189.359 -95.0528 182.626 145.712 176.921 124.71 -156.486 PRESSAVG: 1654800 50.2233 14.1137 -6.60482 14.1136 28.554 24.0461 -6.60483 24.0461 -55.6868 GPRESSAVG: 1654800 49.2926 16.5775 -7.18076 11.6718 29.0846 25.5892 -7.65285 23.5045 -55.1735 TIMING: 1654800 CPU: 4940.9, 0.00303327/step Wall: 4940.9, 0.00303327/step, 2.81858 hours remaining, 207.984375 MB of memory in use. ENERGY: 1654800 801.7499 2091.8829 1943.8887 117.1263 -206465.8238 18029.5880 0.0000 0.0000 34346.7455 -149134.8425 299.9587 -183481.5880 -149034.3836 299.6890 49.3956 83.1184 557684.0291 7.6968 7.7345 PRESSURE: 1655000 209.433 -128.49 -3.81773 -128.49 59.6561 105.217 -3.81668 105.218 -66.1112 GPRESSURE: 1655000 241.887 -173.271 -5.06443 -195.046 155.491 110.963 -20.3005 90.105 -93.5131 PRESSAVG: 1655000 10.6536 -61.1279 16.1541 -61.1279 56.087 56.157 16.1541 56.1569 -22.6847 GPRESSAVG: 1655000 11.7679 -62.7277 15.5301 -61.2453 55.1426 54.7992 16.4004 57.9327 -22.9444 TIMING: 1655000 CPU: 4941.5, 0.00299918/step Wall: 4941.5, 0.00299918/step, 2.78673 hours remaining, 207.984375 MB of memory in use. ENERGY: 1655000 775.7155 2120.5713 1951.5176 132.8676 -206557.5738 18088.0768 0.0000 0.0000 34501.1494 -148987.6755 301.3071 -183488.8249 -148885.1914 300.2691 67.6592 101.2883 557190.0477 14.6853 14.6554 PRESSURE: 1655200 -368.709 80.7338 -85.5929 80.7334 -131.559 -29.4083 -85.5925 -29.4085 -297.581 GPRESSURE: 1655200 -341.563 44.8441 -52.557 181.586 -116.36 8.03509 -111.523 -48.4909 -242.374 PRESSAVG: 1655200 -0.872004 -1.89321 -27.7966 -1.89322 26.5081 -24.1215 -27.7966 -24.1215 -14.1847 GPRESSAVG: 1655200 -1.36146 -1.61485 -26.9312 0.62457 26.9094 -22.7982 -29.3428 -26.0584 -13.946 TIMING: 1655200 CPU: 4942.11, 0.00300363/step Wall: 4942.11, 0.00300363/step, 2.7907 hours remaining, 207.984375 MB of memory in use. ENERGY: 1655200 789.0225 2032.8270 1964.7956 116.7274 -205492.7546 17411.8549 0.0000 0.0000 34247.6388 -148929.8884 299.0931 -183177.5273 -148827.7327 299.9834 -265.9499 -233.4323 558551.5806 3.8171 3.8673 PRESSURE: 1655400 -16.5968 -41.3472 9.35565 -41.3457 -108.298 53.837 9.35495 53.8369 90.5513 GPRESSURE: 1655400 1.36595 40.2006 23.5998 -16.8004 -72.788 39.5723 37.9227 -7.31019 136.074 PRESSAVG: 1655400 23.1748 66.9523 -7.24751 66.9524 -41.6871 -9.06663 -7.24748 -9.06669 34.0789 GPRESSAVG: 1655400 24.1921 68.4636 -7.8393 66.029 -42.0486 -8.20243 -5.13537 -8.29336 33.8001 TIMING: 1655400 CPU: 4942.71, 0.00300417/step Wall: 4942.71, 0.00300417/step, 2.79104 hours remaining, 207.984375 MB of memory in use. ENERGY: 1655400 773.3579 2054.9806 1937.9607 111.6323 -206039.7893 17832.4734 0.0000 0.0000 34453.8209 -148875.5635 300.8938 -183329.3844 -148774.9051 300.4000 -11.4480 21.5507 556870.1167 5.1889 5.3145 PRESSURE: 1655600 -181.289 -185.685 35.1959 -185.684 -136.44 -31.0513 35.1963 -31.0508 -20.6827 GPRESSURE: 1655600 -52.1424 -139.795 -0.327182 -186.289 -197.45 -35.561 21.3101 -74.9908 19.1539 PRESSAVG: 1655600 23.4229 3.38703 16.4399 3.38694 -22.337 -35.4065 16.44 -35.4065 20.3031 GPRESSAVG: 1655600 22.4562 2.23889 18.1901 4.05619 -22.7707 -36.3617 13.3998 -34.1766 21.8664 TIMING: 1655600 CPU: 4943.31, 0.00301588/step Wall: 4943.31, 0.00301588/step, 2.80176 hours remaining, 207.984375 MB of memory in use. ENERGY: 1655600 772.9479 2065.4273 1903.8620 113.1259 -205807.8393 17687.6451 0.0000 0.0000 34513.1067 -148751.7244 301.4115 -183264.8311 -148660.2420 300.5485 -112.8038 -76.8129 557275.2674 7.1297 7.1840 PRESSURE: 1655800 -166.882 122.672 -79.4965 122.672 -80.7396 188.471 -79.4978 188.471 165.818 GPRESSURE: 1655800 -125.034 136.479 -95.2793 106.61 -21.6687 236.978 -94.3397 150.805 168.707 PRESSAVG: 1655800 -9.28363 26.8614 -27.066 26.8613 11.7556 -33.8064 -27.0661 -33.8062 32.08 GPRESSAVG: 1655800 -7.78608 26.645 -28.9818 25.9287 11.8861 -30.2422 -24.1507 -36.1378 30.4266 TIMING: 1655800 CPU: 4943.91, 0.00300105/step Wall: 4943.91, 0.00300105/step, 2.78781 hours remaining, 207.984375 MB of memory in use. ENERGY: 1655800 732.9600 2171.9324 1921.6231 108.5794 -205491.5929 17474.9882 0.0000 0.0000 34336.1349 -148745.3750 299.8660 -183081.5099 -148649.3418 300.6253 -27.2677 7.3346 557443.9362 11.5173 11.5089 PRESSURE: 1656000 -63.2181 189.126 -120.806 189.125 -29.3106 -132.703 -120.806 -132.705 -38.0831 GPRESSURE: 1656000 -22.5637 215.271 -122.571 198.883 -29.7685 -35.8002 -122.662 -136.778 14.7411 PRESSAVG: 1656000 -31.9424 48.661 -41.982 48.661 -4.07753 -15.8565 -41.982 -15.8566 20.1357 GPRESSAVG: 1656000 -33.8236 49.574 -42.3617 48.362 -2.70461 -19.3064 -42.3588 -14.8304 20.0833 TIMING: 1656000 CPU: 4944.51, 0.00299029/step Wall: 4944.51, 0.00299029/step, 2.77765 hours remaining, 207.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1656000 766.0754 2042.5745 1933.1953 118.4099 -205773.3938 17513.9204 0.0000 0.0000 34548.5361 -148850.6822 301.7210 -183399.2183 -148754.7507 300.5515 -43.5373 -12.5303 557589.8936 -5.2947 -5.4816 PRESSURE: 1656200 -3.08685 -76.7123 -26.5173 -76.7122 -107.136 -207.854 -26.5168 -207.855 56.5953 GPRESSURE: 1656200 49.847 -101.332 -79.3008 -25.9481 -62.7778 -153.041 -18.8894 -184.563 54.6601 PRESSAVG: 1656200 -66.9 41.0478 -15.9127 41.0478 -82.974 -47.1709 -15.9127 -47.1709 156.812 GPRESSAVG: 1656200 -67.3618 39.9026 -13.7943 39.6246 -82.1269 -47.4492 -16.2428 -47.4541 156.828 TIMING: 1656200 CPU: 4945.1, 0.00298161/step Wall: 4945.1, 0.00298161/step, 2.76942 hours remaining, 207.984375 MB of memory in use. ENERGY: 1656200 796.5121 2088.1825 1932.9120 104.5812 -205995.2730 17894.8227 0.0000 0.0000 34057.0131 -149121.2493 297.4284 -183178.2625 -149026.9203 299.9905 -17.8759 13.9098 558457.3754 2.3126 2.4465 LDB: ============= START OF LOAD BALANCING ============== 4948.65 LDB: ============== END OF LOAD BALANCING =============== 4948.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4948.66 LDB: ============= START OF LOAD BALANCING ============== 4948.96 LDB: Largest compute 4772 load 0.027419 is 23.2% of average load 0.118123 LDB: Average compute 0.001741 is 1.5% of average load 0.118123 LDB: TIME 4948.96 LOAD: AVG 0.118123 MAX 0.212394 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.805 MB LDB: TIME 4948.96 LOAD: AVG 0.118123 MAX 0.212394 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.809 MB LDB: TIME 4948.96 LOAD: AVG 0.118123 MAX 0.212394 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.809 MB LDB: ============== END OF LOAD BALANCING =============== 4948.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4948.96 PRESSURE: 1656400 -155.588 48.0854 -124.252 48.0846 -51.4916 -161.267 -124.25 -161.265 135.755 GPRESSURE: 1656400 -138.107 66.4039 -145.963 35.3443 -44.6297 -157.288 -121.314 -152.725 197.632 PRESSAVG: 1656400 -13.5618 -43.2499 29.8678 -43.2499 -53.4326 -52.6119 29.8678 -52.612 77.539 GPRESSAVG: 1656400 -13.921 -41.6678 28.5377 -41.9962 -54.4041 -51.7194 27.7927 -53.3468 78.1701 TIMING: 1656400 CPU: 4945.71, 0.00305124/step Wall: 4945.71, 0.00305124/step, 2.83392 hours remaining, 206.316406 MB of memory in use. ENERGY: 1656400 748.9925 2081.3821 1936.3701 104.1383 -206232.6230 17919.9447 0.0000 0.0000 34329.3402 -149112.4550 299.8067 -183441.7952 -149010.7262 299.2557 -23.7749 4.9653 559013.6165 3.5149 3.2817 PRESSURE: 1656600 -86.8982 33.6664 -53.1723 33.6666 -157.209 144.846 -53.1722 144.844 -17.3067 GPRESSURE: 1656600 -39.6126 11.3272 -4.83961 127.666 -92.3017 3.92931 -131.1 180.247 -46.4762 PRESSAVG: 1656600 -17.1875 26.9555 56.3007 26.9556 -36.0363 -57.8121 56.3007 -57.8121 49.233 GPRESSAVG: 1656600 -16.0607 25.2039 58.6923 28.4464 -36.3602 -57.8719 56.2505 -56.2468 48.5717 TIMING: 1656600 CPU: 4946.31, 0.00299996/step Wall: 4946.31, 0.00299996/step, 2.78613 hours remaining, 206.316406 MB of memory in use. ENERGY: 1656600 734.1676 2102.8964 1976.9297 115.6924 -206213.9544 17778.6346 0.0000 0.0000 34342.8851 -149162.7485 299.9250 -183505.6336 -149064.7759 299.2568 -87.1378 -59.4635 558888.5831 -1.3303 -1.2831 PRESSURE: 1656800 14.7303 -178.596 77.0015 -178.595 81.8514 32.886 77.0013 32.8863 126.905 GPRESSURE: 1656800 17.6267 -160.29 98.619 -145.219 161.362 53.1507 155.436 75.1861 143.67 PRESSAVG: 1656800 0.313989 1.90768 16.2479 1.90781 -1.18305 -63.3626 16.2479 -63.3625 25.3083 GPRESSAVG: 1656800 0.182857 1.80155 16.436 -0.369913 -2.12401 -63.926 17.4813 -62.6204 25.7243 TIMING: 1656800 CPU: 4946.92, 0.00300864/step Wall: 4946.92, 0.00300864/step, 2.79402 hours remaining, 206.316406 MB of memory in use. ENERGY: 1656800 755.5154 2089.1907 1919.1544 103.2232 -206051.5720 17745.7084 0.0000 0.0000 34221.1804 -149217.5995 298.8621 -183438.7798 -149117.8484 298.4262 74.4956 107.5530 557367.2424 8.1464 7.9277 PRESSURE: 1657000 -265.724 24.396 -7.29779 24.3969 29.6326 62.0934 -7.29735 62.0941 -315.676 GPRESSURE: 1657000 -181.118 22.0061 16.5177 26.9901 -34.3556 62.8579 -24.8625 111.599 -228.548 PRESSAVG: 1657000 -84.7787 34.4156 -1.38174 34.4156 69.5241 35.3365 -1.38194 35.3364 20.2694 GPRESSAVG: 1657000 -85.6417 35.8445 -3.00936 35.3157 69.4934 36.4499 -0.322291 34.5122 20.9356 TIMING: 1657000 CPU: 4947.52, 0.00302185/step Wall: 4947.52, 0.00302185/step, 2.80612 hours remaining, 206.316406 MB of memory in use. ENERGY: 1657000 730.5428 2081.7879 1943.6800 117.7610 -206054.8456 17798.2453 0.0000 0.0000 34340.7088 -149042.1198 299.9060 -183382.8286 -148941.1823 299.2698 -183.9226 -148.0072 558697.1714 1.6716 1.5958 PRESSURE: 1657200 212.76 -19.876 -50.5942 -19.8753 -134.117 -64.5833 -50.5931 -64.5828 -162.178 GPRESSURE: 1657200 230.138 -68.5944 -28.7415 -76.8805 -78.666 -6.94815 -159.864 -96.0096 -144.375 PRESSAVG: 1657200 68.977 -76.8691 -15.967 -76.8691 19.308 -5.49297 -15.967 -5.49295 -29.9856 GPRESSAVG: 1657200 69.3892 -75.852 -14.4865 -79.1961 20.1109 -6.04385 -17.3206 -6.11668 -30.9103 TIMING: 1657200 CPU: 4948.13, 0.0030375/step Wall: 4948.13, 0.0030375/step, 2.82048 hours remaining, 206.316406 MB of memory in use. ENERGY: 1657200 737.9868 2070.2367 1965.3483 126.7900 -206032.9648 17621.5293 0.0000 0.0000 34388.9116 -149122.1620 300.3269 -183511.0737 -149019.6302 299.8916 -27.8450 2.3654 557614.2546 19.4331 19.5299 PRESSURE: 1657400 -226.048 96.6586 214.149 96.6588 19.0182 -111.546 214.148 -111.546 -184.591 GPRESSURE: 1657400 -221.221 60.19 217.349 54.158 35.0935 -155.829 66.7178 -178.878 -130.017 PRESSAVG: 1657400 -26.2627 -34.0677 8.43406 -34.0677 -22.0612 -47.1059 8.43409 -47.1058 31.3016 GPRESSAVG: 1657400 -26.5447 -35.8628 5.2007 -31.8102 -21.4989 -50.0336 8.80147 -45.8833 31.0149 TIMING: 1657400 CPU: 4948.73, 0.00300779/step Wall: 4948.73, 0.00300779/step, 2.79273 hours remaining, 206.316406 MB of memory in use. ENERGY: 1657400 757.3608 2160.8992 1926.2231 113.8021 -206023.4196 17641.7163 0.0000 0.0000 34333.5526 -149089.8656 299.8435 -183423.4182 -148996.0161 299.4483 -130.5402 -105.3812 557401.4579 -5.6741 -5.6762 PRESSURE: 1657600 46.5855 20.2192 -97.8861 20.2192 -62.2776 -145.777 -97.8868 -145.778 -53.0823 GPRESSURE: 1657600 92.4811 9.37663 -80.186 -9.97734 -82.6814 -186.735 -75.031 -103.263 19.7234 PRESSAVG: 1657600 65.6237 -36.9111 0.266934 -36.911 -9.31738 -73.9447 0.26702 -73.9447 -9.05555 GPRESSAVG: 1657600 65.0446 -35.5414 1.71135 -36.8117 -9.76067 -72.5184 1.12039 -74.8503 -7.67834 TIMING: 1657600 CPU: 4949.34, 0.00302757/step Wall: 4949.34, 0.00302757/step, 2.81093 hours remaining, 206.316406 MB of memory in use. ENERGY: 1657600 755.4585 2082.2821 1902.7250 122.0634 -205800.8429 17728.2120 0.0000 0.0000 34280.7306 -148929.3714 299.3821 -183210.1020 -148828.1174 299.8510 -22.9248 9.8410 556890.6535 15.7503 15.8685 PRESSURE: 1657800 -43.6158 63.5594 0.229622 63.56 206.307 24.5726 0.229709 24.5731 -243.62 GPRESSURE: 1657800 23.0251 10.9931 112.373 39.0643 197.42 52.7633 23.2887 14.0708 -193.556 PRESSAVG: 1657800 51.2037 13.5365 2.37371 13.5366 -4.79197 6.50427 2.37375 6.50401 -19.7339 GPRESSAVG: 1657800 51.753 13.081 3.41463 13.6188 -5.25612 7.49675 2.77268 6.87889 -20.144 TIMING: 1657800 CPU: 4949.94, 0.00301806/step Wall: 4949.94, 0.00301806/step, 2.80193 hours remaining, 206.316406 MB of memory in use. ENERGY: 1657800 741.3547 2093.0288 1939.3602 104.8624 -205726.7745 17714.3325 0.0000 0.0000 34205.5386 -148928.2974 298.7255 -183133.8359 -148829.4659 299.9486 -26.9764 8.9632 557081.1632 8.8926 8.7843 PRESSURE: 1658000 260.864 80.4533 109.051 80.4527 -134.417 -23.3864 109.051 -23.3863 153.959 GPRESSURE: 1658000 261.362 25.109 97.2601 147.478 -20.458 12.2024 94.4208 0.648371 150.916 PRESSAVG: 1658000 22.7316 24.2141 -50.1518 24.2141 -2.28056 -50.5813 -50.1518 -50.5813 -3.38312 GPRESSAVG: 1658000 24.0785 24.6457 -51.8753 25.3965 -1.21517 -48.8673 -50.117 -51.9442 -4.69299 TIMING: 1658000 CPU: 4950.54, 0.00302752/step Wall: 4950.54, 0.00302752/step, 2.81055 hours remaining, 206.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1658000 748.9575 2097.5302 1941.0143 117.0244 -206094.6224 17918.4841 0.0000 0.0000 34154.4896 -149117.1222 298.2797 -183271.6118 -149014.0649 300.5514 93.4684 130.6065 556552.7922 5.6893 6.0568 PRESSURE: 1658200 -67.1862 -39.2622 -77.1745 -39.2616 -49.0305 -133.38 -77.1738 -133.38 108.554 GPRESSURE: 1658200 -57.5981 -36.5946 -0.28466 -59.7821 -62.0324 -235.105 -121.2 -104.68 202.535 PRESSAVG: 1658200 32.9484 -54.8731 -29.3008 -54.8731 -21.3074 -50.11 -29.3008 -50.1101 -40.4705 GPRESSAVG: 1658200 31.3161 -56.603 -28.5088 -54.7925 -20.803 -52.5118 -29.5403 -47.6368 -39.3014 TIMING: 1658200 CPU: 4951.15, 0.00301298/step Wall: 4951.15, 0.00301298/step, 2.79688 hours remaining, 206.316406 MB of memory in use. ENERGY: 1658200 742.5805 2104.8029 1914.8676 100.3258 -206372.7603 17971.8861 0.0000 0.0000 34335.5867 -149202.7106 299.8612 -183538.2974 -149099.5340 300.0809 -2.5542 27.6350 558115.1593 -9.6099 -9.5961 PRESSURE: 1658400 -264.082 -1.06283 -41.0427 -1.0627 -90.6033 146.43 -41.0426 146.431 160.795 GPRESSURE: 1658400 -264.056 -32.7802 -54.9139 14.8375 -40.8403 167.973 -91.11 53.3114 202.16 PRESSAVG: 1658400 -26.4874 -39.859 -41.9291 -39.859 -29.006 -17.0954 -41.9291 -17.0953 38.6929 GPRESSAVG: 1658400 -25.5978 -37.1774 -41.7455 -40.1794 -29.4529 -16.9984 -43.0848 -18.392 37.9141 TIMING: 1658400 CPU: 4951.75, 0.00299448/step Wall: 4951.75, 0.00299448/step, 2.77954 hours remaining, 206.316406 MB of memory in use. ENERGY: 1658400 773.6948 2093.8821 1923.8820 120.6133 -206284.7311 17770.0734 0.0000 0.0000 34508.1122 -149094.4733 301.3679 -183602.5855 -148993.0308 300.4037 -64.6302 -34.2453 556553.0960 -5.6002 -5.7122 PRESSURE: 1658600 87.9035 -75.0532 -90.4853 -75.0519 53.733 -183.564 -90.4858 -183.564 156.943 GPRESSURE: 1658600 102.134 -123.368 -60.1801 -32.8601 118.534 -131.657 -178.041 -181.04 172.576 PRESSAVG: 1658600 62.1796 29.5855 0.393059 29.5855 -41.7875 -9.06686 0.393139 -9.06695 -36.6707 GPRESSAVG: 1658600 62.0901 28.9876 -1.59443 28.5589 -41.5674 -6.5698 2.46399 -9.85912 -36.9968 TIMING: 1658600 CPU: 4952.34, 0.00298853/step Wall: 4952.34, 0.00298853/step, 2.77385 hours remaining, 206.316406 MB of memory in use. ENERGY: 1658600 718.8970 2119.8028 1922.5584 117.2958 -205867.2725 17762.3932 0.0000 0.0000 34439.6490 -148786.6762 300.7700 -183226.3253 -148697.3559 300.5333 99.5266 131.0812 557686.5549 -5.4262 -5.4914 PRESSURE: 1658800 335.567 155.221 -130.372 155.22 -23.6567 -78.1506 -130.372 -78.1499 -102.909 GPRESSURE: 1658800 336.359 62.3468 -156.644 194.388 15.9956 -106.22 -148.052 -62.8268 -49.4561 PRESSAVG: 1658800 3.55446 -20.0941 -19.2583 -20.0942 16.3837 32.8427 -19.2583 32.8427 -31.59 GPRESSAVG: 1658800 3.00842 -22.4128 -17.9186 -19.2382 16.4318 31.4865 -18.5973 32.2962 -30.8374 TIMING: 1658800 CPU: 4952.94, 0.00299133/step Wall: 4952.94, 0.00299133/step, 2.77628 hours remaining, 206.316406 MB of memory in use. ENERGY: 1658800 707.1671 2063.3243 1930.4039 120.3931 -206032.6152 17802.9474 0.0000 0.0000 34472.7794 -148935.6000 301.0594 -183408.3794 -148834.1785 300.0032 69.6670 100.9660 556864.8006 -3.8840 -3.7991 PRESSURE: 1659000 42.3969 -82.9609 108.012 -82.9616 61.7291 37.5249 108.012 37.5249 130.467 GPRESSURE: 1659000 47.1246 -66.4602 124.45 -47.2313 153.232 38.1119 92.9412 72.2664 145.52 PRESSAVG: 1659000 50.176 33.9507 -35.8485 33.9507 -9.15213 13.4516 -35.8484 13.4516 -36.9027 GPRESSAVG: 1659000 50.1104 35.9014 -35.3527 33.7261 -8.54531 12.7864 -37.7253 14.4691 -37.219 TIMING: 1659000 CPU: 4953.53, 0.00295936/step Wall: 4953.53, 0.00295936/step, 2.74645 hours remaining, 206.316406 MB of memory in use. ENERGY: 1659000 752.7648 2085.1783 1922.0102 105.4968 -206073.2347 18054.6143 0.0000 0.0000 34331.9660 -148821.2043 299.8296 -183153.1703 -148728.4960 299.6752 78.1975 115.2925 557828.1179 1.3737 1.4487 PRESSURE: 1659200 121.687 86.2799 -129.678 86.2801 187.187 97.4904 -129.678 97.492 143.688 GPRESSURE: 1659200 191.345 79.3159 -151.236 72.7163 162.287 40.8443 -40.8223 96.5328 200.727 PRESSAVG: 1659200 2.49571 0.847981 -72.9252 0.847947 -53.2529 34.5147 -72.9251 34.5148 42.7571 GPRESSAVG: 1659200 3.06393 0.161227 -74.3432 1.10925 -53.5593 33.6758 -73.1229 35.661 42.5874 TIMING: 1659200 CPU: 4954.13, 0.00298183/step Wall: 4954.13, 0.00298183/step, 2.76714 hours remaining, 206.316406 MB of memory in use. ENERGY: 1659200 714.8223 2078.6584 1921.4822 130.8513 -205980.6879 17900.6477 0.0000 0.0000 34402.0399 -148832.1862 300.4416 -183234.2260 -148732.6855 300.0143 150.8545 184.7864 557521.1024 -2.6667 -2.6360 PRESSURE: 1659400 -38.258 77.0947 -88.0977 77.0942 15.2582 -56.9233 -88.0982 -56.9242 275.48 GPRESSURE: 1659400 -2.574 96.2407 -108.868 -12.0166 48.998 -42.8783 1.18008 -114.685 298.001 PRESSAVG: 1659400 -34.0359 -29.5281 -61.1944 -29.5281 64.2646 16.6654 -61.1943 16.6654 15.1817 GPRESSAVG: 1659400 -34.0341 -29.8186 -59.0649 -31.3593 63.8214 16.606 -61.0449 15.6117 15.7901 TIMING: 1659400 CPU: 4954.73, 0.00297944/step Wall: 4954.73, 0.00297944/step, 2.76476 hours remaining, 206.316406 MB of memory in use. ENERGY: 1659400 727.4748 2112.9649 1920.0371 118.8367 -205813.5476 17717.9246 0.0000 0.0000 34440.8992 -148775.4103 300.7809 -183216.3095 -148682.2251 300.6481 84.1600 114.8084 557982.6606 15.1368 15.1924 PRESSURE: 1659600 343.113 76.0528 -49.6025 76.0512 -229.278 -29.7181 -49.6031 -29.72 142.292 GPRESSURE: 1659600 330.693 148.877 -37.8018 55.0979 -134.408 1.16745 -144.244 -27.9557 155.031 PRESSAVG: 1659600 52.5171 0.776816 -56.9826 0.776777 -28.1606 -32.4069 -56.9826 -32.4068 2.5787 GPRESSAVG: 1659600 52.3581 -0.480179 -59.203 2.64034 -28.1734 -29.5392 -56.5332 -33.3922 2.8858 TIMING: 1659600 CPU: 4955.32, 0.00296742/step Wall: 4955.32, 0.00296742/step, 2.75343 hours remaining, 206.316406 MB of memory in use. ENERGY: 1659600 726.7954 2119.2722 1952.3253 119.3502 -206325.2465 17886.3111 0.0000 0.0000 34519.5576 -149001.6347 301.4679 -183521.1923 -148907.9334 300.3928 85.3758 117.1054 557083.0419 8.9784 9.0235 PRESSURE: 1659800 -55.6864 -165.505 -85.8377 -165.505 -98.1593 13.6613 -85.838 13.661 -77.9476 GPRESSURE: 1659800 -50.7506 -186.192 -64.833 -131.602 -67.1802 30.8052 -30.3032 9.47927 -27.6093 PRESSAVG: 1659800 39.5692 -22.9558 23.6992 -22.9558 -43.5447 -12.8487 23.6992 -12.8486 29.68 GPRESSAVG: 1659800 39.3344 -23.4031 24.7812 -23.1253 -43.6495 -12.8901 23.9089 -11.7294 30.532 TIMING: 1659800 CPU: 4955.92, 0.00298466/step Wall: 4955.92, 0.00298466/step, 2.76926 hours remaining, 206.316406 MB of memory in use. ENERGY: 1659800 747.6074 2062.0341 1969.2348 110.1099 -206107.8478 17731.0443 0.0000 0.0000 34282.7630 -149205.0542 299.3999 -183487.8172 -149115.6681 300.8952 -77.2644 -48.5134 558209.0645 8.5682 8.7390 PRESSURE: 1660000 88.3429 -24.7742 -200.777 -24.7745 -204.727 31.5457 -200.778 31.5454 -120.5 GPRESSURE: 1660000 98.3803 -35.3354 -212.361 -25.34 -157.864 14.0039 -97.0932 96.0725 -84.7905 PRESSAVG: 1660000 -4.08828 -62.9291 -66.9425 -62.9291 0.170137 27.9329 -66.9427 27.9329 47.8273 GPRESSAVG: 1660000 -4.84164 -62.1336 -68.578 -62.8489 0.77635 27.105 -66.2836 27.6967 47.7991 TIMING: 1660000 CPU: 4956.51, 0.00296255/step Wall: 4956.51, 0.00296255/step, 2.74859 hours remaining, 206.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1660000 704.7509 2115.9149 1926.4969 118.7325 -206610.4069 17845.4856 0.0000 0.0000 34454.2804 -149444.7456 300.8978 -183899.0260 -149343.7171 299.1758 -78.9616 -48.0914 558065.6382 14.6364 14.5779 PRESSURE: 1660200 -124.594 65.7662 44.3721 65.7667 -329.157 19.0532 44.3725 19.0523 26.4021 GPRESSURE: 1660200 -117.199 27.1361 34.6365 -7.4699 -246.324 9.36324 36.1791 3.03443 32.6079 PRESSAVG: 1660200 -69.043 8.28827 -5.20811 8.28823 51.7769 -6.5324 -5.20812 -6.5325 5.47025 GPRESSAVG: 1660200 -68.6529 10.1252 -4.89547 6.98874 50.7614 -8.57345 -5.30029 -4.70765 6.4198 TIMING: 1660200 CPU: 4957.1, 0.00298068/step Wall: 4957.1, 0.00298068/step, 2.76524 hours remaining, 206.316406 MB of memory in use. ENERGY: 1660200 778.6190 2109.8033 1937.4379 124.3607 -206313.6433 17823.0448 0.0000 0.0000 34262.3846 -149277.9930 299.2219 -183540.3775 -149184.0335 299.4627 -142.4494 -110.3050 558879.1183 -3.9320 -3.8239 LDB: ============= START OF LOAD BALANCING ============== 4960.65 LDB: ============== END OF LOAD BALANCING =============== 4960.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4960.66 LDB: ============= START OF LOAD BALANCING ============== 4960.95 LDB: Largest compute 4796 load 0.028901 is 24.5% of average load 0.118079 LDB: Average compute 0.001740 is 1.5% of average load 0.118079 LDB: TIME 4960.96 LOAD: AVG 0.118079 MAX 0.213351 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.371 MB LDB: TIME 4960.96 LOAD: AVG 0.118079 MAX 0.213351 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.371 MB LDB: TIME 4960.96 LOAD: AVG 0.118079 MAX 0.213351 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.371 MB LDB: ============== END OF LOAD BALANCING =============== 4960.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4960.96 PRESSURE: 1660400 -44.3752 -38.3273 -60.5269 -38.3267 9.34477 175.491 -60.5268 175.492 29.579 GPRESSURE: 1660400 20.5142 -85.7639 -52.4983 -45.4036 -20.9872 170.142 -138.498 164.389 96.4635 PRESSAVG: 1660400 12.7571 12.9172 33.5298 12.9173 0.768188 45.2145 33.5298 45.2146 -18.4384 GPRESSAVG: 1660400 11.8187 12.5008 33.8354 13.9044 1.85541 47.6126 32.5876 45.9181 -19.025 TIMING: 1660400 CPU: 4957.71, 0.00303906/step Wall: 4957.71, 0.00303906/step, 2.81923 hours remaining, 206.960938 MB of memory in use. ENERGY: 1660400 764.1926 2073.5217 1940.3138 116.2756 -206382.5725 17904.1773 0.0000 0.0000 34302.6121 -149281.4795 299.5732 -183584.0916 -149185.9685 299.9841 -1.8172 31.9968 557080.1733 -1.6377 -1.7836 PRESSURE: 1660600 67.1501 -1.65074 25.0512 -1.65029 42.9601 -58.6283 25.0512 -58.6284 147.697 GPRESSURE: 1660600 78.1697 -6.97383 119.632 6.44058 93.702 -38.8901 -41.7595 -112.028 177.914 PRESSAVG: 1660600 -48.4877 -6.29169 3.89175 -6.29173 -12.5187 67.1719 3.89179 67.1718 64.1429 GPRESSAVG: 1660600 -47.9083 -7.38435 6.09429 -5.6039 -12.3391 66.1563 3.30436 64.4452 62.9578 TIMING: 1660600 CPU: 4958.31, 0.00299035/step Wall: 4958.31, 0.00299035/step, 2.77388 hours remaining, 206.960938 MB of memory in use. ENERGY: 1660600 728.5369 2085.6277 1916.9404 118.4081 -206583.9593 17992.5409 0.0000 0.0000 34472.7229 -149269.1823 301.0589 -183741.9053 -149175.3093 299.8976 85.9357 116.5953 556235.0025 1.0455 0.9034 PRESSURE: 1660800 128.419 -240.891 -188.158 -240.892 30.4622 22.4891 -188.158 22.4888 -43.5833 GPRESSURE: 1660800 171.954 -235.916 -204.225 -194.164 79.5583 29.6505 -202.287 -43.2654 -40.8102 PRESSAVG: 1660800 50.969 -13.1217 -9.26151 -13.1218 -13.8766 16.0749 -9.26148 16.0748 5.75076 GPRESSAVG: 1660800 51.0024 -13.9065 -10.7371 -11.391 -14.8661 16.2033 -8.04042 15.8803 6.62882 TIMING: 1660800 CPU: 4958.91, 0.0029989/step Wall: 4958.91, 0.0029989/step, 2.78164 hours remaining, 206.960938 MB of memory in use. ENERGY: 1660800 750.8051 2180.3225 1917.8649 116.2849 -206815.2182 18196.1249 0.0000 0.0000 34331.2079 -149322.6081 299.8230 -183653.8160 -149218.4214 299.8536 38.4325 70.2340 558641.2921 14.2811 14.2551 PRESSURE: 1661000 -442.03 68.2903 -187.416 68.2902 -171.752 -9.81984 -187.418 -9.82021 67.488 GPRESSURE: 1661000 -365.974 99.706 -138.625 -55.4918 -121.398 22.4193 -207.047 -15.296 32.7013 PRESSAVG: 1661000 -33.3467 -42.5701 -56.9871 -42.57 -34.522 8.85836 -56.9871 8.85831 38.473 GPRESSAVG: 1661000 -33.1846 -41.8396 -56.2439 -45.2981 -33.9933 9.51288 -56.4179 8.91458 37.8898 TIMING: 1661000 CPU: 4959.51, 0.00298995/step Wall: 4959.51, 0.00298995/step, 2.77318 hours remaining, 206.960938 MB of memory in use. ENERGY: 1661000 790.3116 2125.5103 1945.6462 130.7895 -206215.9596 17629.1518 0.0000 0.0000 34106.4332 -149488.1171 297.8600 -183594.5502 -149392.2342 298.4267 -182.0980 -151.5569 558171.3855 -9.7986 -9.7627 PRESSURE: 1661200 108.16 -128.472 -27.4735 -128.472 76.8274 41.4443 -27.4725 41.4447 66.0473 GPRESSURE: 1661200 111.557 -76.9899 -55.107 -231.131 95.5412 15.0894 68.3639 100.528 140.837 PRESSAVG: 1661200 -42.1367 67.1523 54.0458 67.1523 26.4369 -1.97924 54.0457 -1.9792 -2.0303 GPRESSAVG: 1661200 -41.7705 67.224 52.3944 67.2704 25.2957 -1.0711 54.0634 -1.46561 -1.10077 TIMING: 1661200 CPU: 4960.1, 0.00297887/step Wall: 4960.1, 0.00297887/step, 2.76274 hours remaining, 206.960938 MB of memory in use. ENERGY: 1661200 807.1797 2102.2698 1891.3239 111.6580 -206485.2292 17889.0326 0.0000 0.0000 34195.1208 -149488.6443 298.6345 -183683.7651 -149394.9784 298.8550 83.6784 115.9786 556538.0679 -5.9100 -5.8585 PRESSURE: 1661400 25.7278 76.0591 53.0071 76.0597 81.312 -28.6388 53.0078 -28.6376 11.1147 GPRESSURE: 1661400 18.9502 50.4356 -39.3859 23.9137 153.177 -82.0756 29.3547 -29.7451 38.8467 PRESSAVG: 1661400 13.0723 -17.8668 64.9531 -17.8668 -17.7614 -0.207935 64.953 -0.20796 15.4383 GPRESSAVG: 1661400 11.2366 -17.6056 65.6581 -16.5982 -17.2616 0.316656 65.4399 -1.88989 16.4427 TIMING: 1661400 CPU: 4960.7, 0.00298015/step Wall: 4960.7, 0.00298015/step, 2.76376 hours remaining, 206.960938 MB of memory in use. ENERGY: 1661400 691.6364 2147.5931 1919.2823 119.9261 -206324.1631 17850.0958 0.0000 0.0000 34086.0190 -149509.6104 297.6817 -183595.6294 -149414.8641 298.5384 39.3848 70.3247 557711.0475 3.5831 3.4726 PRESSURE: 1661600 -270.214 -114.931 24.0577 -114.932 -115.763 -95.4908 24.0576 -95.4912 -143.018 GPRESSURE: 1661600 -219.691 -102.696 19.5188 -74.5082 -115.135 -119.371 18.9373 -163.604 -108.078 PRESSAVG: 1661600 -3.66156 -0.14051 7.42043 -0.140483 19.4043 -25.1027 7.42043 -25.1027 -9.9089 GPRESSAVG: 1661600 -2.4821 -0.903185 8.55544 -1.06275 19.7229 -26.4549 5.86064 -25.2205 -11.2922 TIMING: 1661600 CPU: 4961.3, 0.0029989/step Wall: 4961.3, 0.0029989/step, 2.78098 hours remaining, 206.960938 MB of memory in use. ENERGY: 1661600 760.9647 2109.7257 1910.2544 119.3060 -206571.0608 17727.0999 0.0000 0.0000 34424.4792 -149519.2310 300.6375 -183943.7102 -149420.0521 298.7021 -176.3316 -147.6344 557770.3939 1.9446 1.9828 PRESSURE: 1661800 -13.7641 -262.32 -144.864 -262.32 47.8785 116.756 -144.864 116.757 -212.673 GPRESSURE: 1661800 -1.80567 -270.2 -152.615 -322.431 58.4524 121.747 -114.513 141.342 -128.351 PRESSAVG: 1661800 -25.1909 -7.25099 11.2299 -7.25094 32.7082 14.7879 11.2298 14.7878 42.6608 GPRESSAVG: 1661800 -25.7104 -3.84989 8.35828 -8.0092 33.081 16.8466 13.0514 16.7169 42.626 TIMING: 1661800 CPU: 4961.9, 0.00297839/step Wall: 4961.9, 0.00297839/step, 2.7618 hours remaining, 206.960938 MB of memory in use. ENERGY: 1661800 748.1233 2111.2360 1950.1998 114.7389 -206598.9344 17967.1904 0.0000 0.0000 34146.3746 -149561.0715 298.2088 -183707.4460 -149469.1303 299.1872 -59.5196 -23.9014 557069.0290 16.7260 16.6655 PRESSURE: 1662000 -348.611 -44.8562 -112.481 -44.8573 -83.9799 28.6963 -112.482 28.6947 -103.095 GPRESSURE: 1662000 -281.118 -3.92203 -137.763 -112.297 -86.9974 -0.784736 -36.4232 79.6009 -83.123 PRESSAVG: 1662000 -6.57428 -32.1759 4.94797 -32.1759 -10.3187 26.6128 4.94794 26.6129 13.1085 GPRESSAVG: 1662000 -6.09378 -33.6661 5.94767 -32.8976 -10.3735 24.6483 4.76368 24.623 12.4601 TIMING: 1662000 CPU: 4962.5, 0.00299967/step Wall: 4962.5, 0.00299967/step, 2.78136 hours remaining, 207.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1662000 732.6892 2151.7982 1947.1507 110.2191 -206148.8839 17474.5170 0.0000 0.0000 34327.8566 -149404.6532 299.7937 -183732.5098 -149307.9989 298.7955 -178.5619 -150.4129 556981.0948 -1.2615 -1.3357 PRESSURE: 1662200 -127.323 -76.5039 49.0547 -76.5036 -32.1716 -11.6116 49.0551 -11.61 -40.9053 GPRESSURE: 1662200 -169.598 -86.2905 63.0581 -127.355 45.5177 2.36235 131.206 6.098 25.9651 PRESSAVG: 1662200 1.96927 -16.7894 4.53953 -16.7894 10.7417 29.752 4.53966 29.752 -28.5449 GPRESSAVG: 1662200 0.382277 -17.8487 6.6102 -16.1105 12.471 29.2281 3.65468 31.1472 -28.1264 TIMING: 1662200 CPU: 4963.1, 0.0030249/step Wall: 4963.1, 0.0030249/step, 2.80458 hours remaining, 207.027344 MB of memory in use. ENERGY: 1662200 784.4505 2097.9290 1943.3979 105.7661 -206445.2851 17780.2625 0.0000 0.0000 34228.2446 -149505.2346 298.9238 -183733.4792 -149404.4324 299.0347 -66.7999 -32.7052 557237.9904 -5.2780 -5.0910 PRESSURE: 1662400 99.9615 90.0831 76.4352 90.0841 107.48 28.9545 76.4353 28.9546 15.8804 GPRESSURE: 1662400 137.018 130.752 41.0869 116.988 106.988 4.98462 123.796 -12.4806 70.6851 PRESSAVG: 1662400 31.717 10.4265 11.2621 10.4265 38.4774 -60.3408 11.2621 -60.3407 -73.1756 GPRESSAVG: 1662400 33.4786 9.63776 9.70432 12.1868 37.0367 -60.2545 10.2213 -61.2045 -74.1351 TIMING: 1662400 CPU: 4963.7, 0.00298757/step Wall: 4963.7, 0.00298757/step, 2.76981 hours remaining, 207.027344 MB of memory in use. ENERGY: 1662400 739.6134 2115.9116 1888.4392 116.1660 -206395.9091 17769.0068 0.0000 0.0000 34276.1650 -149490.6071 299.3423 -183766.7721 -149392.8930 298.5827 74.4408 104.8970 556290.7005 -0.9938 -1.2066 PRESSURE: 1662600 18.7507 57.6756 54.4505 57.6748 -144.236 64.548 54.4504 64.5488 79.4449 GPRESSURE: 1662600 31.6816 115.445 0.403853 -22.2334 -91.3153 76.3253 70.9987 125.697 104.546 PRESSAVG: 1662600 -26.4604 11.0859 24.9652 11.0859 53.098 -31.1713 24.9651 -31.1713 -0.413393 GPRESSAVG: 1662600 -26.8471 13.8884 24.0379 9.68201 52.3216 -28.9986 27.8032 -31.4974 0.971014 TIMING: 1662600 CPU: 4964.3, 0.00300735/step Wall: 4964.3, 0.00300735/step, 2.78798 hours remaining, 207.027344 MB of memory in use. ENERGY: 1662600 752.3183 2070.5322 1896.7266 123.3533 -206279.8167 17877.4482 0.0000 0.0000 34358.7260 -149200.7120 300.0633 -183559.4380 -149098.7445 300.1835 -15.3467 14.9707 558250.8565 8.7414 8.8152 PRESSURE: 1662800 132.988 40.4445 -111.599 40.4451 163.974 -81.4751 -111.6 -81.4737 32.5894 GPRESSURE: 1662800 150.791 28.6154 -78.8317 29.3572 238.274 -140.546 -101.969 -9.09466 28.8387 PRESSAVG: 1662800 -9.06027 -0.635656 -31.8782 -0.635639 12.5963 -44.5239 -31.8782 -44.5238 14.1972 GPRESSAVG: 1662800 -8.15466 -3.01407 -30.3302 -0.156906 12.7572 -46.1735 -33.8509 -43.1391 12.9506 TIMING: 1662800 CPU: 4964.9, 0.00299555/step Wall: 4964.9, 0.00299556/step, 2.77688 hours remaining, 207.027344 MB of memory in use. ENERGY: 1662800 738.1302 2105.4246 1925.9951 112.3602 -206526.8050 18030.5939 0.0000 0.0000 34556.2710 -149058.0300 301.7885 -183614.3010 -148969.0342 299.8251 109.8506 139.3010 557914.7133 5.9111 5.8511 PRESSURE: 1663000 -203.113 17.6045 -30.5445 17.6053 -375.636 157.444 -30.5447 157.445 -22.7202 GPRESSURE: 1663000 -153.56 81.7821 -67.1305 -5.95587 -317.474 113.012 -51.3749 142.946 -38.9722 PRESSAVG: 1663000 -21.4119 7.42965 -28.9154 7.42966 47.4176 -7.97934 -28.9154 -7.97933 -24.7462 GPRESSAVG: 1663000 -22.5739 9.18471 -29.1686 6.65129 47.6725 -7.16037 -29.5653 -10.1688 -23.2765 TIMING: 1663000 CPU: 4965.5, 0.00299295/step Wall: 4965.5, 0.00299295/step, 2.7743 hours remaining, 207.027344 MB of memory in use. ENERGY: 1663000 751.8290 2142.8446 1926.7154 104.6148 -205923.4265 17526.9175 0.0000 0.0000 34338.6069 -149131.8982 299.8876 -183470.5051 -149030.6585 300.5513 -200.4898 -170.0019 559515.2690 0.4198 0.6074 PRESSURE: 1663200 -63.1178 -16.7905 -188.865 -16.7905 98.6398 99.8837 -188.865 99.8855 -52.9413 GPRESSURE: 1663200 -8.30168 -58.2747 -163.785 0.0718756 133.695 174.657 -176.815 7.69738 -40.5637 PRESSAVG: 1663200 -66.2111 -19.5614 -9.99832 -19.5614 60.6707 23.6981 -9.99824 23.6981 -17.2511 GPRESSAVG: 1663200 -66.6544 -21.876 -10.6272 -18.5908 60.8722 25.8409 -8.68663 22.0907 -17.0467 TIMING: 1663200 CPU: 4966.1, 0.00300588/step Wall: 4966.1, 0.00300588/step, 2.78612 hours remaining, 207.027344 MB of memory in use. ENERGY: 1663200 748.4618 2114.9954 1890.7949 107.4271 -206142.7931 17975.9541 0.0000 0.0000 34283.0320 -149022.1277 299.4022 -183305.1597 -148918.6816 298.9993 -5.8064 28.2765 559878.9004 -7.5972 -7.6096 PRESSURE: 1663400 1.40147 -59.7626 -74.1958 -59.7635 154.618 11.9709 -74.1966 11.9717 -32.2519 GPRESSURE: 1663400 90.2444 -6.47796 -50.7091 -102.287 115.427 41.8014 -57.1836 30.6777 18.544 PRESSAVG: 1663400 -23.4136 -17.8231 -20.3599 -17.8232 -31.3363 4.99061 -20.3599 4.99061 74.3089 GPRESSAVG: 1663400 -23.699 -17.85 -19.1726 -18.7105 -30.5617 2.68236 -21.2268 6.18622 73.7821 TIMING: 1663400 CPU: 4966.7, 0.00299541/step Wall: 4966.7, 0.00299541/step, 2.77625 hours remaining, 207.027344 MB of memory in use. ENERGY: 1663400 741.2088 2150.4445 1923.4557 113.2620 -206420.2664 17921.0532 0.0000 0.0000 34490.3982 -149080.4439 301.2132 -183570.8421 -148979.7603 300.3570 41.2559 74.7386 558670.2474 6.5197 6.5072 PRESSURE: 1663600 93.7478 12.9388 4.52723 12.9386 81.664 226.947 4.5255 226.948 148.071 GPRESSURE: 1663600 86.0693 109.554 62.2372 0.19036 127.696 140.608 4.94691 194.145 203.059 PRESSAVG: 1663600 -34.9485 -25.397 -43.0707 -25.397 47.4155 33.6114 -43.0707 33.6114 5.71303 GPRESSAVG: 1663600 -34.5627 -24.6974 -44.0035 -25.1825 48.7202 32.8038 -41.9748 33.2448 4.47025 TIMING: 1663600 CPU: 4967.3, 0.00302371/step Wall: 4967.3, 0.00302371/step, 2.80231 hours remaining, 207.027344 MB of memory in use. ENERGY: 1663600 780.9486 2076.7495 1923.2911 110.0550 -206508.6074 17983.2054 0.0000 0.0000 34387.8132 -149246.5446 300.3173 -183634.3577 -149158.3041 299.7849 107.8275 138.9415 557847.1400 6.0600 6.2093 PRESSURE: 1663800 -91.853 -27.8747 91.5276 -27.8756 -156.814 198.321 91.5288 198.32 -102.421 GPRESSURE: 1663800 -40.2432 -27.7483 16.388 4.39593 -168.63 175.833 77.7872 181.167 -35.5303 PRESSAVG: 1663800 7.50995 -28.3922 -32.7793 -28.3922 -17.153 -25.3034 -32.7792 -25.3035 3.07465 GPRESSAVG: 1663800 7.46189 -28.6988 -33.3889 -29.6074 -19.5225 -24.0424 -35.3519 -24.337 4.62339 TIMING: 1663800 CPU: 4967.91, 0.00302433/step Wall: 4967.91, 0.00302433/step, 2.80271 hours remaining, 207.027344 MB of memory in use. ENERGY: 1663800 775.8813 2122.3157 1915.9268 109.3283 -206427.6371 17876.0905 0.0000 0.0000 34398.7010 -149229.3936 300.4124 -183628.0946 -149133.4702 299.2276 -117.0294 -81.4677 557495.0034 -2.1895 -2.4791 PRESSURE: 1664000 119.948 -121.257 -75.0336 -121.257 62.272 109.33 -75.0338 109.329 -35.2606 GPRESSURE: 1664000 76.5905 -87.09 -125.22 -180.937 106.278 106.575 -96.4968 73.1648 70.4383 PRESSAVG: 1664000 47.3686 -29.3962 1.26959 -29.3961 -16.3655 -7.99368 1.26958 -7.99366 -36.0738 GPRESSAVG: 1664000 47.203 -29.9242 2.02095 -29.2157 -16.8952 -9.40476 3.37356 -7.65432 -35.3908 TIMING: 1664000 CPU: 4968.5, 0.00296558/step Wall: 4968.5, 0.00296558/step, 2.7481 hours remaining, 207.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1664000 743.7665 2094.4792 1922.7268 113.2421 -206126.2335 17825.9112 0.0000 0.0000 34247.7692 -149178.3385 299.0943 -183426.1077 -149073.8558 300.2651 48.9863 84.4357 556023.5438 -1.6902 -1.6943 PRESSURE: 1664200 -211.852 -202.325 -172.951 -202.324 -207.66 -8.24457 -172.952 -8.24439 -127.318 GPRESSURE: 1664200 -171.496 -219.018 -110.39 -162.916 -185.841 59.2733 -191.382 -24.3407 -88.0497 PRESSAVG: 1664200 -3.91229 -45.6443 41.6407 -45.6443 0.0175506 -25.8088 41.6406 -25.8087 -3.22433 GPRESSAVG: 1664200 -3.80943 -46.8711 40.8783 -43.2213 0.989337 -24.4047 41.0268 -24.8262 -4.37439 TIMING: 1664200 CPU: 4969.1, 0.00300586/step Wall: 4969.1, 0.00300586/step, 2.78526 hours remaining, 207.027344 MB of memory in use. ENERGY: 1664200 742.6772 2063.1704 1933.9422 107.9307 -205857.7910 17543.6997 0.0000 0.0000 34350.0398 -149116.3310 299.9874 -183466.3708 -149019.8660 299.4765 -182.2767 -148.4620 557789.8917 -2.3730 -2.3982 LDB: ============= START OF LOAD BALANCING ============== 4972.65 LDB: ============== END OF LOAD BALANCING =============== 4972.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4972.65 LDB: ============= START OF LOAD BALANCING ============== 4972.95 LDB: Largest compute 4772 load 0.028225 is 23.9% of average load 0.118155 LDB: Average compute 0.001733 is 1.5% of average load 0.118155 LDB: TIME 4972.95 LOAD: AVG 0.118155 MAX 0.20985 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.965 MB LDB: TIME 4972.95 LOAD: AVG 0.118155 MAX 0.20985 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.969 MB LDB: TIME 4972.95 LOAD: AVG 0.118155 MAX 0.20985 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4972.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4972.96 PRESSURE: 1664400 -420.579 28.7866 48.0307 28.7863 20.3076 83.3055 48.0305 83.3059 -138.485 GPRESSURE: 1664400 -388.941 65.998 14.0321 9.70082 44.9328 29.8645 93.7929 -30.8733 -99.83 PRESSAVG: 1664400 -56.4916 -0.282348 -2.03819 -0.28236 -21.8216 15.0808 -2.03823 15.0809 71.5195 GPRESSAVG: 1664400 -56.281 0.71587 -1.83498 -1.73676 -21.9328 15.3692 0.21724 14.835 71.5771 TIMING: 1664400 CPU: 4969.71, 0.00302501/step Wall: 4969.71, 0.00302501/step, 2.80284 hours remaining, 206.476562 MB of memory in use. ENERGY: 1664400 737.8825 2082.4394 1942.8757 104.2141 -205528.1372 17429.8998 0.0000 0.0000 34324.7869 -148906.0387 299.7669 -183230.8257 -148805.4991 299.3110 -179.5854 -147.9460 559290.2971 -2.2646 -2.2122 PRESSURE: 1664600 -108.972 95.1143 -79.655 95.114 -62.5475 74.1805 -79.6558 74.1796 53.5235 GPRESSURE: 1664600 -53.0945 84.5035 1.74042 54.5606 -39.1948 39.5311 -70.9623 63.5377 73.9187 PRESSAVG: 1664600 60.4639 -26.7801 -13.8969 -26.78 -31.2703 -17.9407 -13.8968 -17.9408 -10.2122 GPRESSAVG: 1664600 61.1781 -27.4878 -14.1436 -25.6622 -31.3023 -18.4524 -15.3983 -16.1229 -10.2128 TIMING: 1664600 CPU: 4970.31, 0.0030273/step Wall: 4970.31, 0.0030273/step, 2.8048 hours remaining, 206.476562 MB of memory in use. ENERGY: 1664600 721.4566 2061.2987 1933.7586 117.1643 -206124.1063 17767.9564 0.0000 0.0000 34293.1220 -149229.3497 299.4904 -183522.4717 -149139.4258 299.8526 -39.3321 -6.1235 557877.5469 6.3271 6.5543 PRESSURE: 1664800 -103.5 -144.062 52.6371 -144.063 9.40054 91.2043 52.6388 91.2039 -180.798 GPRESSURE: 1664800 -57.6716 -180.994 120.867 -56.1073 16.9344 127.338 3.82548 115.214 -141.781 PRESSAVG: 1664800 6.76056 -20.3517 -44.3352 -20.3517 38.8621 9.22104 -44.3351 9.22112 -2.27645 GPRESSAVG: 1664800 7.03885 -19.912 -45.4555 -20.1032 38.3459 10.7859 -43.907 6.82704 -2.62708 TIMING: 1664800 CPU: 4970.91, 0.00298139/step Wall: 4970.91, 0.00298139/step, 2.76209 hours remaining, 206.601562 MB of memory in use. ENERGY: 1664800 741.7542 2092.6869 1924.3059 111.5403 -206457.6980 17684.9765 0.0000 0.0000 34562.4693 -149339.9649 301.8426 -183902.4342 -149235.8300 299.3833 -91.6325 -60.8393 556932.8773 14.4487 14.2525 PRESSURE: 1665000 178.316 125.965 111.203 125.966 12.9878 -144.246 111.202 -144.246 108.36 GPRESSURE: 1665000 156.843 116.786 -38.2239 87.5581 90.8257 -104.469 203.205 -115.262 143.281 PRESSAVG: 1665000 47.0431 -29.8969 43.0807 -29.897 -61.5684 4.0717 43.0808 4.0718 -16.208 GPRESSAVG: 1665000 47.1722 -31.1562 44.5012 -30.7537 -61.6581 2.93127 42.9429 2.56333 -15.6241 TIMING: 1665000 CPU: 4971.5, 0.00295725/step Wall: 4971.5, 0.00295725/step, 2.73956 hours remaining, 206.601562 MB of memory in use. ENERGY: 1665000 707.5714 2113.8904 1921.2355 114.8182 -206279.7727 17856.2471 0.0000 0.0000 34238.4130 -149327.5970 299.0126 -183566.0101 -149239.8501 299.1662 99.8881 130.3167 557354.4569 -10.2444 -10.0366 PRESSURE: 1665200 305.991 -137.16 46.0094 -137.16 140.323 -34.0243 46.0095 -34.0253 46.602 GPRESSURE: 1665200 353.425 -195.496 49.5612 -124.865 126.016 -15.2336 74.8316 -126.398 83.3127 PRESSAVG: 1665200 36.991 -66.8136 -22.0374 -66.8136 -40.3727 -40.4199 -22.0374 -40.4199 19.5262 GPRESSAVG: 1665200 35.704 -62.3123 -22.3015 -68.8107 -39.0035 -43.2098 -21.6184 -37.5672 19.3566 TIMING: 1665200 CPU: 4972.1, 0.00298927/step Wall: 4972.1, 0.00298927/step, 2.76906 hours remaining, 206.601562 MB of memory in use. ENERGY: 1665200 730.0048 2096.5140 1931.2843 100.6423 -206483.9312 18165.6230 0.0000 0.0000 34242.3376 -149217.5252 299.0469 -183459.8628 -149121.2104 299.4653 164.3054 187.5845 559227.7479 5.3815 5.3524 PRESSURE: 1665400 -147.581 188.267 40.0421 188.266 -121.481 -76.9747 40.0416 -76.9752 -120.674 GPRESSURE: 1665400 -112.652 21.4876 -4.29323 238.264 -78.1176 7.34208 25.6611 -30.0508 -90.1956 PRESSAVG: 1665400 -26.2321 -58.3799 2.74766 -58.3797 -18.2193 47.3385 2.74756 47.3385 -11.4354 GPRESSAVG: 1665400 -25.0335 -60.8268 3.72468 -56.7843 -19.0322 52.9569 2.56045 45.1983 -11.7771 TIMING: 1665400 CPU: 4972.7, 0.00299161/step Wall: 4972.7, 0.00299161/step, 2.77106 hours remaining, 206.601562 MB of memory in use. ENERGY: 1665400 756.0809 2060.1867 1932.9297 103.4801 -205870.5458 17600.6100 0.0000 0.0000 34196.5527 -149220.7058 298.6470 -183417.2585 -149123.1158 299.0463 -129.9119 -93.6550 558639.8850 -18.6290 -18.6143 PRESSURE: 1665600 -0.194569 114.916 -100.131 114.918 117.967 186.679 -100.131 186.677 -23.423 GPRESSURE: 1665600 41.6672 133.927 -122.168 172.06 151.814 144.563 -71.4939 251.824 -1.44668 PRESSAVG: 1665600 41.7998 4.18663 -36.3533 4.18661 52.7593 56.71 -36.3534 56.7099 -101.058 GPRESSAVG: 1665600 42.3488 3.27106 -37.8272 4.15805 52.1895 53.1463 -37.2397 59.2093 -100.834 TIMING: 1665600 CPU: 4973.29, 0.00297026/step Wall: 4973.29, 0.00297026/step, 2.75112 hours remaining, 206.601562 MB of memory in use. ENERGY: 1665600 731.9617 2052.4835 1927.7573 102.0241 -206109.0511 17813.1590 0.0000 0.0000 34341.5558 -149140.1098 299.9133 -183481.6655 -149047.5800 299.2089 31.4498 64.0116 557614.2280 -2.1663 -2.0984 PRESSURE: 1665800 175.244 122.129 -154.946 122.13 226.912 -76.6508 -154.947 -76.6519 -139.824 GPRESSURE: 1665800 190.358 96.5276 -114.369 188.919 221.155 26.6596 -204.963 -55.1205 -33.2676 PRESSAVG: 1665800 14.3588 47.8319 -14.5994 47.8319 -24.6885 -13.8721 -14.5994 -13.8721 29.9284 GPRESSAVG: 1665800 14.8263 47.6251 -13.8991 46.8899 -25.0979 -13.9954 -13.356 -15.5308 30.4511 TIMING: 1665800 CPU: 4973.89, 0.00298456/step Wall: 4973.89, 0.00298456/step, 2.7642 hours remaining, 206.601562 MB of memory in use. ENERGY: 1665800 766.4783 2056.2893 1918.2639 114.9211 -206486.8814 18133.8204 0.0000 0.0000 34187.5458 -149309.5627 298.5683 -183497.1085 -149213.2748 299.7011 87.4440 126.0818 557912.5129 6.5329 6.7265 PRESSURE: 1666000 -386.845 -53.4376 63.8489 -53.4367 -322.63 14.1578 63.8495 14.159 -54.3538 GPRESSURE: 1666000 -308.319 -66.8299 139.959 53.054 -297.175 32.2807 6.64291 69.6587 -60.0882 PRESSAVG: 1666000 42.2468 42.5736 -9.04695 42.5736 -47.5107 -4.92578 -9.04688 -4.92577 -2.28431 GPRESSAVG: 1666000 42.6043 44.754 -7.88728 43.984 -47.4147 -4.01566 -9.90702 -3.43405 -2.16315 TIMING: 1666000 CPU: 4974.49, 0.00299847/step Wall: 4974.49, 0.00299847/step, 2.77692 hours remaining, 206.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1666000 755.3153 2064.2606 1929.9356 116.6429 -205932.6460 17581.7365 0.0000 0.0000 34102.4628 -149382.2924 297.8253 -183484.7552 -149277.8358 298.5215 -254.6097 -221.8605 560856.7387 -2.5161 -2.3245 PRESSURE: 1666200 99.0545 59.1527 -124.057 59.152 -56.2963 -179.151 -124.057 -179.15 -67.1283 GPRESSURE: 1666200 145.896 111.502 -80.6623 168.571 9.12712 -133.651 -129.194 -139.521 -84.8099 PRESSAVG: 1666200 29.3291 36.9889 -11.2815 36.9889 5.51266 -14.4766 -11.2815 -14.4765 -47.8755 GPRESSAVG: 1666200 28.1726 36.9886 -12.4188 35.1634 5.92367 -14.1214 -12.2764 -16.4083 -47.1631 TIMING: 1666200 CPU: 4975.08, 0.00298281/step Wall: 4975.08, 0.00298281/step, 2.76225 hours remaining, 206.601562 MB of memory in use. ENERGY: 1666200 728.6229 2049.2363 1934.1155 115.1887 -206158.5084 17875.9194 0.0000 0.0000 34188.1919 -149267.2337 298.5740 -183455.4256 -149164.4364 298.6364 -8.1234 23.4043 558687.7392 -4.3446 -4.3556 PRESSURE: 1666400 -258.084 -107.995 12.0638 -107.996 33.6876 -92.6282 12.0653 -92.6275 39.1636 GPRESSURE: 1666400 -238.788 -60.3309 -1.31045 -85.2633 58.4739 -52.4015 -8.47187 -46.6042 85.9869 PRESSAVG: 1666400 15.993 35.8202 1.28548 35.8202 -14.5684 -11.0304 1.28551 -11.0304 -6.80494 GPRESSAVG: 1666400 17.0691 36.4116 -0.654182 37.4696 -13.9542 -10.9428 3.84137 -11.4075 -8.85281 TIMING: 1666400 CPU: 4975.68, 0.00298824/step Wall: 4975.68, 0.00298824/step, 2.76711 hours remaining, 206.601562 MB of memory in use. ENERGY: 1666400 734.2513 2093.3455 1928.3964 114.4515 -206158.5387 17724.1526 0.0000 0.0000 34073.8409 -149490.1004 297.5753 -183563.9413 -149391.4598 298.4645 -61.7443 -31.4423 559457.1299 -1.7934 -1.9126 PRESSURE: 1666600 108.813 -65.895 -30.1938 -65.8938 148.103 -43.8236 -30.1926 -43.8236 115.419 GPRESSURE: 1666600 123.459 -34.3735 -28.8091 -113.612 197.137 -80.8885 -31.3724 -13.0706 153.201 PRESSAVG: 1666600 33.4744 -14.8715 -53.7717 -14.8715 8.36457 24.4137 -53.7717 24.4138 -32.4603 GPRESSAVG: 1666600 34.0893 -16.1715 -53.2034 -15.9217 7.03777 23.6777 -55.025 22.7221 -32.0441 TIMING: 1666600 CPU: 4976.28, 0.00301234/step Wall: 4976.28, 0.00301235/step, 2.78926 hours remaining, 206.601562 MB of memory in use. ENERGY: 1666600 732.0338 2055.6119 1925.7184 105.1777 -206437.6721 18075.1623 0.0000 0.0000 34220.5243 -149323.4436 298.8564 -183543.9679 -149232.4774 298.4452 124.1115 157.9323 558031.2354 3.1262 3.0277 PRESSURE: 1666800 196.037 82.9285 24.0807 82.9287 -143.655 -0.0175258 24.0802 -0.0174178 -85.0477 GPRESSURE: 1666800 223.431 85.3092 88.2925 89.7431 -149.592 48.7699 29.5403 -43.0435 -2.95719 PRESSAVG: 1666800 -27.0563 40.037 -35.7769 40.037 -21.9402 11.1795 -35.7769 11.1794 66.0682 GPRESSAVG: 1666800 -29.6968 40.0093 -34.6357 40.851 -20.8965 10.4195 -36.3152 14.3658 66.723 TIMING: 1666800 CPU: 4976.88, 0.00299823/step Wall: 4976.88, 0.00299823/step, 2.77603 hours remaining, 206.601562 MB of memory in use. ENERGY: 1666800 732.6810 2028.1834 1926.1925 93.1390 -206072.4013 17843.8098 0.0000 0.0000 34202.0445 -149246.3512 298.6950 -183448.3956 -149156.1002 298.6633 -10.8885 23.6272 558147.0733 5.6906 5.3766 PRESSURE: 1667000 -65.0034 -25.7735 -14.5185 -25.7736 54.6133 91.8463 -14.5193 91.8476 80.3002 GPRESSURE: 1667000 2.02655 5.52205 -12.9388 29.5129 57.8128 97.6614 -37.1975 144.099 97.6443 PRESSAVG: 1667000 -71.946 38.9005 25.8747 38.9005 -5.82866 -27.6397 25.8748 -27.6398 59.5198 GPRESSAVG: 1667000 -69.6232 39.9033 24.9929 39.8391 -7.05489 -27.0412 26.7665 -29.5594 58.5553 TIMING: 1667000 CPU: 4977.47, 0.00295307/step Wall: 4977.47, 0.00295307/step, 2.73405 hours remaining, 206.601562 MB of memory in use. ENERGY: 1667000 739.6289 2024.0543 1918.4516 100.4128 -206112.8705 17899.5765 0.0000 0.0000 34404.4810 -149026.2654 300.4629 -183430.7464 -148923.5268 299.9333 23.3034 52.4945 559058.8188 -6.0849 -6.0409 PRESSURE: 1667200 -190.187 0.807035 137.606 0.807468 -7.13953 35.3319 137.606 35.3323 -133.066 GPRESSURE: 1667200 -135.74 69.2998 206.529 -83.7221 4.56103 74.1507 108.728 -15.6641 -111.688 PRESSAVG: 1667200 -17.6906 -4.77522 10.9737 -4.77526 55.7636 -22.4459 10.9738 -22.4459 -13.8129 GPRESSAVG: 1667200 -19.1281 -5.70838 12.2349 -5.00623 55.9937 -21.6169 10.8479 -21.5999 -12.9823 TIMING: 1667200 CPU: 4978.07, 0.00296727/step Wall: 4978.07, 0.00296727/step, 2.74703 hours remaining, 206.601562 MB of memory in use. ENERGY: 1667200 725.6910 2022.6358 1905.1307 101.9260 -205895.8210 17715.3515 0.0000 0.0000 34451.3545 -148973.7314 300.8722 -183425.0859 -148884.7711 300.0184 -110.1308 -80.9558 558370.4622 8.0867 7.9611 PRESSURE: 1667400 44.1303 -19.7944 105.995 -19.7942 -127.797 208.787 105.995 208.786 -249.228 GPRESSURE: 1667400 181.472 40.7706 93.848 -58.3829 -173.68 210.92 44.6655 245.864 -230.406 PRESSAVG: 1667400 -5.68373 -2.83732 23.1482 -2.83732 8.56469 -6.01473 23.1482 -6.01467 13.6423 GPRESSAVG: 1667400 -5.81788 -3.1067 21.8402 -3.4517 9.26008 -7.96138 22.7936 -5.2079 13.1647 TIMING: 1667400 CPU: 4978.66, 0.00298188/step Wall: 4978.66, 0.00298188/step, 2.76039 hours remaining, 206.601562 MB of memory in use. ENERGY: 1667400 736.7441 2064.4506 1929.6121 104.1923 -206086.6356 17760.7622 0.0000 0.0000 34412.2076 -149078.6668 300.5304 -183490.8744 -148985.7321 299.5970 -110.9648 -74.2045 558374.6557 5.5078 5.5356 PRESSURE: 1667600 34.5253 -3.70272 -43.8442 -3.70268 -437.039 -33.1552 -43.8434 -33.1559 -25.1494 GPRESSURE: 1667600 15.5476 -71.5869 -6.41315 67.282 -342.725 -57.3467 -64.3518 -23.6958 2.7329 PRESSAVG: 1667600 41.0166 -0.55766 10.4114 -0.557722 -55.0257 23.8779 10.4113 23.8779 0.153282 GPRESSAVG: 1667600 41.6866 1.0751 10.4976 -0.755414 -54.2423 24.8455 11.1355 22.9525 -0.961651 TIMING: 1667600 CPU: 4979.26, 0.00298518/step Wall: 4979.26, 0.00298518/step, 2.76329 hours remaining, 206.601562 MB of memory in use. ENERGY: 1667600 745.2770 2073.0217 1937.2824 113.5187 -205713.2362 17549.2350 0.0000 0.0000 34194.2924 -149100.6089 298.6273 -183294.9014 -149012.7054 299.7328 -142.5545 -108.1483 558490.6733 -4.6186 -4.5058 PRESSURE: 1667800 156.676 -86.835 158.286 -86.8345 47.2796 14.3343 158.285 14.335 173.855 GPRESSURE: 1667800 231.289 -82.9395 230.521 -69.0236 93.8227 65.858 211.217 -66.0004 153.9 PRESSAVG: 1667800 -0.876703 -23.2879 22.8685 -23.2878 -33.6259 26.1877 22.8685 26.1876 66.4084 GPRESSAVG: 1667800 -0.321833 -22.0774 24.4318 -23.9313 -34.9902 27.8498 22.8418 25.0886 67.582 TIMING: 1667800 CPU: 4979.86, 0.00300405/step Wall: 4979.86, 0.00300405/step, 2.78058 hours remaining, 206.601562 MB of memory in use. ENERGY: 1667800 723.2497 2059.4212 1936.4200 115.9753 -206531.0332 17947.8602 0.0000 0.0000 34433.3429 -149314.7640 300.7149 -183748.1069 -149220.3943 299.6301 125.9368 159.6705 556064.4917 10.6352 10.7566 PRESSURE: 1668000 -159.657 -48.1348 -125.16 -48.1357 -199.888 147.26 -125.161 147.26 -52.1248 GPRESSURE: 1668000 -159.754 -31.3058 -55.6115 18.6382 -142.03 107.946 -163.803 156.193 -1.59048 PRESSAVG: 1668000 44.9782 -19.9212 -35.62 -19.9211 -25.2341 -4.37659 -35.62 -4.37654 22.7503 GPRESSAVG: 1668000 44.6013 -23.5 -34.6241 -19.2554 -24.8794 -7.33354 -38.1514 -5.6035 22.9224 TIMING: 1668000 CPU: 4980.46, 0.00297467/step Wall: 4980.46, 0.00297467/step, 2.75322 hours remaining, 206.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1668000 742.6850 2055.0377 1932.0501 107.8466 -206045.1749 17566.0006 0.0000 0.0000 34274.5968 -149366.9581 299.3286 -183641.5549 -149269.8743 298.5639 -137.2235 -101.1248 557048.3067 14.1648 14.2148 PRESSURE: 1668200 -39.5459 23.662 2.59294 23.6626 -466.941 77.9449 2.59174 77.9445 -200.545 GPRESSURE: 1668200 -40.6509 -11.5746 -51.5341 139.665 -411.074 99.7342 90.1843 94.0648 -160.966 PRESSAVG: 1668200 -32.7802 -25.3542 -8.213 -25.3542 9.76956 32.7562 -8.21306 32.7562 -28.6254 GPRESSAVG: 1668200 -33.4906 -23.5627 -10.5401 -24.6981 10.598 33.776 -5.55246 35.5858 -28.456 TIMING: 1668200 CPU: 4981.05, 0.00297742/step Wall: 4981.05, 0.00297742/step, 2.7556 hours remaining, 206.601562 MB of memory in use. ENERGY: 1668200 782.5449 2099.6837 1949.8143 119.5820 -205375.1927 17392.8742 0.0000 0.0000 34004.7706 -149025.9230 296.9721 -183030.6936 -148931.7254 299.0358 -235.6771 -204.2303 557862.3999 -17.2120 -17.1162 LDB: ============= START OF LOAD BALANCING ============== 4984.6 LDB: ============== END OF LOAD BALANCING =============== 4984.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4984.6 LDB: ============= START OF LOAD BALANCING ============== 4984.9 LDB: Largest compute 4772 load 0.027740 is 23.5% of average load 0.118241 LDB: Average compute 0.001735 is 1.5% of average load 0.118241 LDB: TIME 4984.9 LOAD: AVG 0.118241 MAX 0.209597 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.5 MB LDB: TIME 4984.9 LOAD: AVG 0.118241 MAX 0.209597 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.703 MB LDB: TIME 4984.9 LOAD: AVG 0.118241 MAX 0.209597 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.703 MB LDB: ============== END OF LOAD BALANCING =============== 4984.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4984.91 PRESSURE: 1668400 -562.967 12.1149 82.135 12.1132 69.8453 36.0461 82.1363 36.0478 58.6932 GPRESSURE: 1668400 -507.476 24.3658 80.948 9.77214 64.5551 -30.2464 41.3577 110.066 103.448 PRESSAVG: 1668400 -15.623 62.6926 56.6254 62.6927 0.614193 -13.6936 56.6254 -13.6936 38.7109 GPRESSAVG: 1668400 -16.1 61.5967 58.3945 62.2863 0.107275 -12.9698 55.5176 -13.763 39.3628 TIMING: 1668400 CPU: 4981.66, 0.00304413/step Wall: 4981.66, 0.00304413/step, 2.81717 hours remaining, 207.250000 MB of memory in use. ENERGY: 1668400 743.9659 2078.3307 1941.5776 112.4912 -205979.1422 17660.1181 0.0000 0.0000 34543.0638 -148899.5949 301.6732 -183442.6587 -148800.8543 300.2130 -144.8094 -113.1576 557074.3085 7.9007 7.7900 PRESSURE: 1668600 20.0571 47.0938 81.2426 47.0945 -218.455 36.2698 81.2422 36.2669 -1.78228 GPRESSURE: 1668600 22.1544 29.2393 125.924 11.9167 -149.261 60.8254 63.2671 -62.7421 25.1695 PRESSAVG: 1668600 -50.3211 -3.18859 30.234 -3.18863 1.13746 40.4221 30.2341 40.422 60.7425 GPRESSAVG: 1668600 -51.2482 -3.65024 28.2929 -3.46079 2.04128 38.5341 30.4717 40.6092 60.7188 TIMING: 1668600 CPU: 4982.26, 0.00297603/step Wall: 4982.26, 0.00297603/step, 2.75398 hours remaining, 207.250000 MB of memory in use. ENERGY: 1668600 771.3273 2095.9112 1928.5714 108.3562 -206008.7433 17764.6592 0.0000 0.0000 34411.5741 -148928.3439 300.5248 -183339.9180 -148826.3817 299.8033 -66.7266 -33.9791 557443.1391 3.8530 3.8373 PRESSURE: 1668800 -17.8338 5.56304 74.3541 5.56186 -131.72 104.252 74.3533 104.252 0.243996 GPRESSURE: 1668800 17.4018 -35.4903 55.1869 0.0851988 -94.0594 58.0884 63.9132 148.677 14.1099 PRESSAVG: 1668800 50.4098 -12.2146 27.4513 -12.2146 -33.9912 20.5339 27.4512 20.534 18.1357 GPRESSAVG: 1668800 51.6202 -10.6069 27.301 -12.7428 -34.7883 24.1257 30.1835 19.4711 17.7747 TIMING: 1668800 CPU: 4982.85, 0.00298572/step Wall: 4982.85, 0.00298572/step, 2.76279 hours remaining, 207.250000 MB of memory in use. ENERGY: 1668800 709.5436 2029.4309 1940.6920 107.2790 -206223.2986 17851.3284 0.0000 0.0000 34614.1706 -148970.8542 302.2942 -183585.0248 -148876.3237 300.7734 -49.7701 -20.8492 560677.8026 11.5181 11.5356 PRESSURE: 1669000 -273.194 134.281 -116.152 134.281 -30.5406 89.1442 -116.152 89.1439 -82.4795 GPRESSURE: 1669000 -268.93 179.388 -130.556 145.611 65.9172 86.5115 -159.417 76.5474 -86.2346 PRESSAVG: 1669000 -4.98923 8.67919 -36.6099 8.67915 7.90891 -4.28114 -36.6099 -4.28115 5.45357 GPRESSAVG: 1669000 -4.4963 7.94013 -35.813 8.1262 7.28586 -7.9551 -38.6965 -3.42728 5.25705 TIMING: 1669000 CPU: 4983.44, 0.00295533/step Wall: 4983.44, 0.00295532/step, 2.7345 hours remaining, 207.250000 MB of memory in use. ENERGY: 1669000 736.2322 2105.8696 1906.6849 114.8555 -205620.5312 17401.1796 0.0000 0.0000 34195.2503 -149160.4592 298.6356 -183355.7094 -149059.3100 299.7289 -128.7380 -96.4158 559237.2110 2.7911 2.6822 PRESSURE: 1669200 -33.4858 -35.4112 -32.63 -35.4119 -148.662 -38.7356 -32.6294 -38.7362 -322.391 GPRESSURE: 1669200 -17.8694 -12.6584 35.4078 75.1981 -77.9082 -35.2547 -33.0508 49.9437 -309.275 PRESSAVG: 1669200 32.5152 41.8496 4.92881 41.8497 44.2999 -0.327647 4.92882 -0.327559 -88.2094 GPRESSAVG: 1669200 32.6625 41.6089 5.65531 42.2333 43.0101 -0.74301 5.68026 0.270103 -86.913 TIMING: 1669200 CPU: 4984.04, 0.00298495/step Wall: 4984.04, 0.00298495/step, 2.76174 hours remaining, 207.250000 MB of memory in use. ENERGY: 1669200 757.2394 2134.5610 1956.5507 112.2014 -205974.6471 17571.2192 0.0000 0.0000 34517.5964 -148925.2790 301.4508 -183442.8753 -148817.5783 299.7603 -168.1797 -135.0176 558373.6854 -3.7981 -3.7468 PRESSURE: 1669400 -17.4958 8.26819 249.541 8.26845 291.68 169.044 249.541 169.044 -349.926 GPRESSURE: 1669400 56.7127 0.915093 253.556 37.4641 253.941 182.473 185.103 90.193 -298.413 PRESSAVG: 1669400 31.0307 -19.9091 -19.463 -19.9091 14.3926 5.32837 -19.4628 5.32841 -75.0928 GPRESSAVG: 1669400 31.0507 -18.64 -19.484 -22.3604 15.0382 7.65583 -21.5641 4.15899 -75.5636 TIMING: 1669400 CPU: 4984.64, 0.00299301/step Wall: 4984.64, 0.00299301/step, 2.76903 hours remaining, 207.339844 MB of memory in use. ENERGY: 1669400 764.7975 2111.0505 1953.1871 117.9859 -206054.6207 17769.9111 0.0000 0.0000 34296.2828 -149041.4059 299.5180 -183337.6887 -148944.3519 299.6938 -25.2474 4.0804 557767.6625 -9.8898 -9.8249 PRESSURE: 1669600 78.659 -20.1206 -65.8449 -20.1219 102.848 86.4906 -65.8459 86.4914 -28.6759 GPRESSURE: 1669600 107.558 48.027 -1.81638 30.4642 130.095 77.101 -55.0414 -14.2864 25.7977 PRESSAVG: 1669600 -6.17555 18.8223 18.9951 18.8222 -16.9281 -24.2497 18.995 -24.2497 31.8969 GPRESSAVG: 1669600 -6.01051 19.2763 17.2143 20.1172 -16.3168 -22.9948 20.3868 -24.5087 31.6988 TIMING: 1669600 CPU: 4985.24, 0.00298829/step Wall: 4985.24, 0.00298829/step, 2.7645 hours remaining, 207.339844 MB of memory in use. ENERGY: 1669600 746.9803 2105.7837 1909.4244 110.4668 -206292.3960 17886.6665 0.0000 0.0000 34364.1390 -149168.9352 300.1106 -183533.0743 -149075.1851 299.3349 50.9438 87.8171 557017.3743 2.9311 3.1238 PRESSURE: 1669800 -24 -54.6651 120.002 -54.666 53.2677 -61.4869 120.001 -61.4876 85.7299 GPRESSURE: 1669800 24.9036 -47.4612 140.237 -77.0829 91.9734 12.6305 97.7866 -72.468 100.449 PRESSAVG: 1669800 30.2447 30.0108 24.1356 30.0109 31.6026 -79.3608 24.1356 -79.3609 -29.3064 GPRESSAVG: 1669800 29.427 28.7084 26.4511 29.301 32.4456 -79.5853 22.8856 -79.6825 -29.2684 TIMING: 1669800 CPU: 4985.83, 0.00297371/step Wall: 4985.83, 0.00297371/step, 2.75084 hours remaining, 207.339844 MB of memory in use. ENERGY: 1669800 740.4655 2054.6755 1934.3354 100.5910 -206085.9545 17790.1655 0.0000 0.0000 34273.7814 -149191.9402 299.3215 -183465.7215 -149099.0094 299.7342 38.3326 72.4419 556606.9198 10.8470 10.8681 PRESSURE: 1670000 65.2128 90.6341 94.205 90.633 -102.738 -72.8695 94.2055 -72.872 14.144 GPRESSURE: 1670000 112.757 109.185 144.597 114.757 -44.7054 -71.0602 48.809 -8.67138 5.0897 PRESSAVG: 1670000 23.685 5.25659 19.3944 5.25661 48.0661 -26.8403 19.3943 -26.8403 -63.1066 GPRESSAVG: 1670000 24.8592 5.87136 18.7238 6.95765 47.578 -28.1478 21.3998 -24.2499 -63.1639 TIMING: 1670000 CPU: 4986.43, 0.00297472/step Wall: 4986.43, 0.00297472/step, 2.75161 hours remaining, 207.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1670000 706.9652 2083.2102 1930.5057 117.0784 -206342.0293 17755.9708 0.0000 0.0000 34307.9863 -149440.3127 299.6202 -183748.2990 -149334.7096 299.0171 -7.7936 24.3803 558017.2501 2.8815 3.0911 PRESSURE: 1670200 -103.169 -111.701 -9.78904 -111.701 18.2523 91.6493 -9.78909 91.6496 93.3962 GPRESSURE: 1670200 -103.052 -89.3665 36.2137 -115.311 6.61032 111.567 78.5194 50.3731 188.341 PRESSAVG: 1670200 -47.7748 50.1827 16.6413 50.1827 44.342 0.719863 16.6414 0.719801 25.5587 GPRESSAVG: 1670200 -48.6336 51.5472 16.3759 50.7409 43.7997 1.47111 16.0838 -0.558721 26.8338 TIMING: 1670200 CPU: 4987.03, 0.00300255/step Wall: 4987.03, 0.00300255/step, 2.77719 hours remaining, 207.339844 MB of memory in use. ENERGY: 1670200 736.2811 2086.6257 1925.0720 107.4225 -206405.5672 17803.8625 0.0000 0.0000 34193.1665 -149553.1369 298.6174 -183746.3034 -149462.9462 298.7419 2.8265 30.6329 554809.9183 7.3753 7.3333 PRESSURE: 1670400 129.203 -14.8182 -55.1627 -14.8182 156.956 -89.8481 -55.1622 -89.8485 -131.514 GPRESSURE: 1670400 149.734 28.1767 -54.1651 56.6842 218.497 -77.2495 -65.7512 -87.4334 -117.389 PRESSAVG: 1670400 85.5505 10.3979 2.23877 10.398 8.75183 34.8363 2.23881 34.8364 -78.0581 GPRESSAVG: 1670400 85.4907 9.83639 3.66231 9.45153 9.68534 35.4634 1.36003 34.0346 -78.5116 TIMING: 1670400 CPU: 4987.62, 0.00298738/step Wall: 4987.62, 0.00298738/step, 2.763 hours remaining, 207.339844 MB of memory in use. ENERGY: 1670400 746.5696 2050.4827 1938.5977 101.5754 -206384.8804 17996.2763 0.0000 0.0000 34151.1818 -149400.1969 298.2508 -183551.3787 -149304.6968 298.5381 51.5483 83.6139 556290.5888 5.4147 5.5548 PRESSURE: 1670600 24.204 103.131 5.43939 103.131 98.9765 34.9353 5.43946 34.9349 -37.0371 GPRESSURE: 1670600 75.5875 81.9091 -19.2716 78.6841 118.323 23.6345 -6.03402 87.4049 -5.79229 PRESSAVG: 1670600 26.1278 18.8279 17.9086 18.8279 -53.0237 -2.92007 17.9086 -2.92001 11.7044 GPRESSAVG: 1670600 26.3182 18.5474 17.6401 17.4465 -53.285 -2.78594 18.6122 -3.81415 11.7816 TIMING: 1670600 CPU: 4988.22, 0.00299607/step Wall: 4988.22, 0.00299607/step, 2.77086 hours remaining, 207.339844 MB of memory in use. ENERGY: 1670600 715.9622 2067.4860 1943.8957 112.7571 -206301.1487 17829.8333 0.0000 0.0000 34221.2841 -149409.9303 298.8630 -183631.2145 -149321.6646 298.5989 28.7145 62.7059 556459.8272 -5.0639 -5.0617 PRESSURE: 1670800 -10.4348 58.6051 4.92706 58.6041 37.7685 -16.3718 4.92753 -16.373 -27.1893 GPRESSURE: 1670800 -37.9061 42.4939 -63.2994 74.5644 31.0856 -2.62447 -34.6691 28.3967 97.6886 PRESSAVG: 1670800 -37.6659 23.1578 -11.6581 23.1577 22.0936 8.50334 -11.6581 8.50335 -10.1455 GPRESSAVG: 1670800 -37.6873 23.3937 -12.8485 25.2388 21.0687 5.72995 -12.1108 11.2889 -8.80897 TIMING: 1670800 CPU: 4988.82, 0.00296647/step Wall: 4988.82, 0.00296647/step, 2.74333 hours remaining, 207.339844 MB of memory in use. ENERGY: 1670800 725.8083 2063.7688 1927.5562 114.2886 -206220.4134 17722.7050 0.0000 0.0000 34282.1264 -149384.1601 299.3943 -183666.2865 -149285.2997 299.3146 0.0481 30.2894 557387.9936 -8.5726 -8.4758 PRESSURE: 1671000 160.138 -117.166 82.804 -117.166 238.997 42.9335 82.8051 42.9346 208.64 GPRESSURE: 1671000 235.967 -107.484 39.385 -137.512 246.303 85.0203 73.5708 89.563 220.087 PRESSAVG: 1671000 1.18622 23.8847 9.86065 23.8847 35.5643 2.66964 9.86072 2.66972 -24.2482 GPRESSAVG: 1671000 2.27172 25.2146 10.918 20.7883 35.6509 5.66143 9.90221 1.91698 -25.7296 TIMING: 1671000 CPU: 4989.41, 0.00296257/step Wall: 4989.41, 0.00296257/step, 2.73955 hours remaining, 207.339844 MB of memory in use. ENERGY: 1671000 730.9398 2061.9220 1948.0766 107.4068 -206691.6972 18213.0306 0.0000 0.0000 34153.4769 -149476.8444 298.2708 -183630.3213 -149382.5412 298.3781 202.5913 234.1192 556362.4771 4.1675 4.0643 PRESSURE: 1671200 -111.453 -152.557 -121.016 -152.558 -34.4183 27.6998 -121.017 27.7021 65.2838 GPRESSURE: 1671200 -51.5975 -131.613 -168.49 -206.47 -36.6682 -23.5327 -68.4736 27.4922 99.5052 PRESSAVG: 1671200 12.0936 -40.1818 -3.83941 -40.1819 -5.41008 -35.8406 -3.83951 -35.8405 32.1629 GPRESSAVG: 1671200 12.213 -39.0238 -4.4162 -39.6134 -5.4683 -36.7901 -2.83756 -36.4362 31.5731 TIMING: 1671200 CPU: 4990, 0.0029593/step Wall: 4990, 0.0029593/step, 2.73637 hours remaining, 207.339844 MB of memory in use. ENERGY: 1671200 727.8994 2109.3773 1920.6887 109.4840 -206268.3828 17780.6969 0.0000 0.0000 34059.0272 -149561.2092 297.4460 -183620.2365 -149465.9934 297.7288 -26.8624 3.7465 558486.0775 12.9488 12.7726 PRESSURE: 1671400 45.0133 -115.484 56.1043 -115.483 -177.733 -21.2177 56.1052 -21.2165 153.821 GPRESSURE: 1671400 76.8052 -85.6066 45.6861 -96.1656 -109.119 -47.7875 35.4283 5.45861 141.048 PRESSAVG: 1671400 -6.7778 -44.3291 -1.63408 -44.329 50.5819 -23.7411 -1.63409 -23.7411 -60.3885 GPRESSAVG: 1671400 -7.52351 -47.0705 -1.27176 -43.5675 51.0368 -24.3199 -1.41166 -23.3218 -60.1144 TIMING: 1671400 CPU: 4990.6, 0.00297412/step Wall: 4990.6, 0.00297412/step, 2.74991 hours remaining, 207.339844 MB of memory in use. ENERGY: 1671400 729.5115 2105.7665 1908.6910 107.6184 -207087.0359 18176.1902 0.0000 0.0000 34320.1563 -149739.1021 299.7265 -184059.2583 -149641.4257 298.0309 7.0338 36.2448 557589.7310 -5.5281 -5.5337 PRESSURE: 1671600 -16.0293 1.02734 30.0496 1.02622 114.734 31.7459 30.0493 31.7467 -233.064 GPRESSURE: 1671600 -7.99557 20.1199 3.10145 -106.528 111.928 41.4923 -42.4592 -15.3186 -143.968 PRESSAVG: 1671600 24.9704 45.9247 33.601 45.9247 -26.0189 52.5397 33.6009 52.5396 -0.131782 GPRESSAVG: 1671600 24.9996 46.3218 34.3244 47.5427 -25.9535 52.0061 32.5654 52.6837 -0.214033 TIMING: 1671600 CPU: 4991.19, 0.00297876/step Wall: 4991.19, 0.00297876/step, 2.75403 hours remaining, 207.582031 MB of memory in use. ENERGY: 1671600 737.6239 2102.8698 1914.4985 100.7984 -206298.1770 17754.5388 0.0000 0.0000 33998.0975 -149689.7499 296.9138 -183687.8475 -149596.6975 298.4855 -44.7866 -13.3451 556393.9721 -0.3934 -0.3893 PRESSURE: 1671800 84.6984 -234.142 -11.2204 -234.143 -43.9977 8.12126 -11.221 8.12134 -299.734 GPRESSURE: 1671800 122.363 -209.127 -16.4866 -171.105 8.00233 63.8326 -51.8215 -29.7785 -303.951 PRESSAVG: 1671800 15.6769 1.02245 -5.25778 1.02247 29.0885 -15.8348 -5.25776 -15.8348 -18.4564 GPRESSAVG: 1671800 15.6764 -0.349742 -7.00633 1.27286 28.2531 -14.8199 -4.69644 -14.9751 -17.6602 TIMING: 1671800 CPU: 4991.79, 0.00298475/step Wall: 4991.79, 0.00298475/step, 2.7594 hours remaining, 207.582031 MB of memory in use. ENERGY: 1671800 714.1093 2065.1260 1923.9836 110.3361 -206395.2537 17660.3224 0.0000 0.0000 34233.5052 -149687.8712 298.9697 -183921.3764 -149585.5003 298.3168 -86.3444 -57.8620 557120.1644 8.7697 8.7564 PRESSURE: 1672000 322.44 75.3646 -66.0941 75.3656 138.949 104.832 -66.0955 104.832 -62.3098 GPRESSURE: 1672000 314.438 67.8643 -125.036 131.085 154.104 67.3143 28.0943 171.875 15.9793 PRESSAVG: 1672000 56.2904 -19.742 12.503 -19.7421 -97.6937 -8.83109 12.5031 -8.83094 35.2672 GPRESSAVG: 1672000 55.0195 -16.9328 12.5383 -21.9843 -96.5362 -6.98443 13.9835 -12.2296 35.3161 TIMING: 1672000 CPU: 4992.39, 0.00299/step Wall: 4992.39, 0.00299/step, 2.76409 hours remaining, 207.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1672000 737.6139 2058.6177 1924.0012 106.1162 -206969.9516 18095.4713 0.0000 0.0000 34269.5513 -149778.5800 299.2845 -184048.1313 -149690.7656 297.9327 133.0265 161.5070 555554.5196 -2.0454 -2.0669 PRESSURE: 1672200 -204.656 -11.7496 64.9167 -11.7494 -164.75 -44.3011 64.917 -44.3001 -16.2657 GPRESSURE: 1672200 -184.443 -51.7879 124.358 43.1383 -115.185 11.2712 78.9347 -111.875 24.7553 PRESSAVG: 1672200 35.6856 -69.2282 -65.6937 -69.2282 -48.6066 12.4334 -65.6937 12.4335 1.74327 GPRESSAVG: 1672200 37.083 -71.7925 -63.7257 -65.7826 -49.2499 10.8147 -68.7868 15.8017 0.995258 TIMING: 1672200 CPU: 4992.99, 0.00299433/step Wall: 4992.99, 0.00299433/step, 2.76793 hours remaining, 207.582031 MB of memory in use. ENERGY: 1672200 817.8000 2027.5600 1916.0223 101.5500 -206514.7304 17836.1970 0.0000 0.0000 34104.8980 -149710.7031 297.8466 -183815.6010 -149619.1144 298.2709 -128.5574 -91.6242 556676.0454 -3.7259 -3.7239 LDB: ============= START OF LOAD BALANCING ============== 4996.54 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4996.54 LDB: =============== DONE WITH MIGRATION ================ 4996.54 LDB: ============= START OF LOAD BALANCING ============== 4996.84 LDB: Largest compute 4772 load 0.026216 is 22.2% of average load 0.118301 LDB: Average compute 0.001725 is 1.5% of average load 0.118301 LDB: TIME 4996.85 LOAD: AVG 0.118301 MAX 0.212383 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 4996.85 LOAD: AVG 0.118301 MAX 0.212383 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: TIME 4996.85 LOAD: AVG 0.118301 MAX 0.212383 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: ============== END OF LOAD BALANCING =============== 4996.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4996.85 PRESSURE: 1672400 -157.108 -16.1346 206.946 -16.1348 128.541 -106.847 206.947 -106.849 -123.948 GPRESSURE: 1672400 -136.546 50.2107 73.6201 -4.13739 139.411 -106.688 229.013 -92.251 -63.4578 PRESSAVG: 1672400 59.9044 -41.208 -20.1434 -41.2079 9.44818 -4.16532 -20.1433 -4.16535 -53.4516 GPRESSAVG: 1672400 60.6531 -39.5366 -20.7173 -42.5486 8.86353 -5.36389 -19.6309 -4.99015 -53.7729 TIMING: 1672400 CPU: 4993.6, 0.00308369/step Wall: 4993.6, 0.00308369/step, 2.85036 hours remaining, 206.714844 MB of memory in use. ENERGY: 1672400 740.4698 2046.0234 1893.7189 115.1306 -206394.1605 17789.5846 0.0000 0.0000 34161.0846 -149648.1487 298.3372 -183809.2333 -149558.6666 298.5036 -50.8383 -20.1976 554938.8906 5.3003 5.2479 PRESSURE: 1672600 83.4823 -216.221 83.0535 -216.22 -12.4956 37.9518 83.0534 37.9534 123.46 GPRESSURE: 1672600 121.815 -198.025 59.7048 -184.346 66.1965 -17.6592 165.342 70.4441 100.098 PRESSAVG: 1672600 -27.4461 -9.07062 2.26875 -9.07064 12.7426 -18.0651 2.26876 -18.0651 9.98437 GPRESSAVG: 1672600 -28.8873 -9.90676 1.1589 -9.36357 13.3747 -15.5532 3.89345 -18.227 10.9765 TIMING: 1672600 CPU: 4994.2, 0.00297775/step Wall: 4994.2, 0.00297775/step, 2.75227 hours remaining, 206.917969 MB of memory in use. ENERGY: 1672600 698.7164 2090.0952 1947.2027 125.7558 -206262.2393 17855.4925 0.0000 0.0000 34000.2366 -149544.7401 296.9325 -183544.9767 -149448.9708 298.3355 64.8156 96.0364 556169.4249 -1.5730 -1.5121 PRESSURE: 1672800 141.134 169.889 132.576 169.889 42.4949 -127.645 132.577 -127.644 178.383 GPRESSURE: 1672800 172.782 151.997 96.9545 203.946 121.736 -132.972 108.521 -51.6265 176.727 PRESSAVG: 1672800 -17.1771 -23.5775 -20.8698 -23.5775 44.6796 -19.5622 -20.8699 -19.5622 3.75072 GPRESSAVG: 1672800 -17.2378 -24.1663 -20.767 -22.5817 44.5409 -20.0711 -19.0893 -18.5334 3.54025 TIMING: 1672800 CPU: 4994.79, 0.00297113/step Wall: 4994.79, 0.00297113/step, 2.74599 hours remaining, 206.917969 MB of memory in use. ENERGY: 1672800 717.9391 2116.9258 1912.9389 120.0320 -206686.9765 17990.7309 0.0000 0.0000 34328.7257 -149499.6842 299.8013 -183828.4099 -149396.7484 298.4715 120.6706 157.0817 555288.1926 10.4177 10.2811 PRESSURE: 1673000 -181.561 -38.3447 -194.217 -38.344 -84.0528 80.267 -194.217 80.2658 -61.087 GPRESSURE: 1673000 -173.48 63.2643 -119.036 -112.578 -54.9642 4.4461 -102.603 72.6445 7.06682 PRESSAVG: 1673000 -3.90899 47.0028 -0.946548 47.0028 -48.5972 -22.1191 -0.94654 -22.119 94.2279 GPRESSAVG: 1673000 -2.8094 48.3854 -1.0674 45.8731 -49.5072 -23.9895 -4.639 -22.3845 93.8565 TIMING: 1673000 CPU: 4995.39, 0.00297785/step Wall: 4995.39, 0.00297785/step, 2.75203 hours remaining, 206.917969 MB of memory in use. ENERGY: 1673000 734.9007 2091.0843 1906.8659 113.8132 -206087.6681 17519.2436 0.0000 0.0000 34337.9013 -149383.8591 299.8814 -183721.7604 -149285.0183 298.9655 -108.9004 -73.7924 555244.2440 13.9072 13.8466 PRESSURE: 1673200 -260.427 109.977 -136.294 109.978 -22.8 -138.721 -136.295 -138.722 55.2048 GPRESSURE: 1673200 -175.665 76.162 -78.6033 80.1744 -0.656393 -37.1038 -162.568 -141.739 41.9391 PRESSAVG: 1673200 -15.8523 86.6047 -22.5281 86.6046 -43.3793 -78.6406 -22.5281 -78.6407 54.5098 GPRESSAVG: 1673200 -15.5262 87.1328 -23.6542 85.4782 -42.5921 -75.4697 -21.1845 -80.8337 53.3153 TIMING: 1673200 CPU: 4995.99, 0.00300394/step Wall: 4995.99, 0.00300394/step, 2.77598 hours remaining, 206.917969 MB of memory in use. ENERGY: 1673200 765.4649 2102.5821 1926.1825 122.5720 -206156.4158 17556.7318 0.0000 0.0000 34272.8719 -149410.0105 299.3135 -183682.8825 -149313.9371 298.1692 -76.0075 -44.7939 556319.9680 -1.5739 -1.6010 PRESSURE: 1673400 -194.438 17.9705 -10.3573 17.9706 57.5793 -68.8531 -10.3578 -68.8533 -184.8 GPRESSURE: 1673400 -160.497 -17.7465 -57.1924 79.2466 69.3762 11.2421 -6.15522 -182.323 -139.264 PRESSAVG: 1673400 -4.57555 47.0514 -4.97091 47.0514 9.26664 -59.82 -4.97085 -59.8201 15.6428 GPRESSAVG: 1673400 -5.54849 45.8132 -3.40505 47.382 9.63162 -61.6866 -3.92285 -57.9759 16.9451 TIMING: 1673400 CPU: 4996.59, 0.00300946/step Wall: 4996.59, 0.00300946/step, 2.78091 hours remaining, 206.917969 MB of memory in use. ENERGY: 1673400 762.8482 2114.7111 1914.9624 113.5328 -206366.1492 17728.2230 0.0000 0.0000 34119.9712 -149611.9005 297.9782 -183731.8717 -149517.1565 298.9115 -107.2198 -76.7950 556489.8326 6.7780 7.0094 PRESSURE: 1673600 -141.791 -148.602 40.9366 -148.601 -222.468 -48.6214 40.9372 -48.6217 120.922 GPRESSURE: 1673600 -165.788 -107.988 119.012 -153.149 -186.653 12.2959 7.86945 -77.9521 196.759 PRESSAVG: 1673600 -52.1212 -1.06502 36.3431 -1.06501 -20.4749 -9.15209 36.3432 -9.15205 101.619 GPRESSAVG: 1673600 -53.8578 0.221505 38.3115 -1.26448 -19.8747 -9.18164 34.6837 -9.22325 102.541 TIMING: 1673600 CPU: 4997.18, 0.00296441/step Wall: 4997.18, 0.00296441/step, 2.73912 hours remaining, 206.917969 MB of memory in use. ENERGY: 1673600 713.0108 2091.6299 1908.9817 129.9658 -206404.5626 17715.3052 0.0000 0.0000 34083.7194 -149761.9498 297.6616 -183845.6692 -149663.7295 297.8951 -81.1123 -51.8943 556327.9916 9.6743 9.6028 PRESSURE: 1673800 -10.5605 0.257769 242.867 0.260321 -8.06638 84.1554 242.867 84.1563 -73.1386 GPRESSURE: 1673800 -4.97417 56.8037 156.776 -59.5 3.62737 46.8448 285.495 108.25 -4.59498 PRESSAVG: 1673800 -55.3246 3.68949 -16.7941 3.68949 9.82818 -0.985386 -16.794 -0.985478 1.00317 GPRESSAVG: 1673800 -53.6666 2.66628 -18.8085 6.1218 9.48683 0.0542283 -14.9898 -2.21568 -0.394774 TIMING: 1673800 CPU: 4997.78, 0.00296656/step Wall: 4997.78, 0.00296656/step, 2.74093 hours remaining, 206.917969 MB of memory in use. ENERGY: 1673800 726.3747 2058.0784 1910.3257 115.0672 -206261.7455 17616.8718 0.0000 0.0000 34094.8235 -149740.2042 297.7586 -183835.0277 -149651.2283 298.1133 -30.5885 -1.9806 555349.3256 -14.8311 -14.8582 PRESSURE: 1674000 -218.544 -17.7111 -23.2134 -17.711 66.0708 -66.7025 -23.2136 -66.7029 87.2445 GPRESSURE: 1674000 -125.956 -50.0756 -8.21496 59.6076 55.8202 10.9629 -83.9698 -127.65 107.87 PRESSAVG: 1674000 -53.5184 -15.5756 23.4794 -15.5756 60.5191 -27.8465 23.4793 -27.8465 7.30043 GPRESSAVG: 1674000 -55.2764 -14.9725 21.2391 -17.0134 60.9224 -31.1644 22.6259 -25.4752 8.55086 TIMING: 1674000 CPU: 4998.37, 0.00296666/step Wall: 4998.37, 0.00296666/step, 2.74086 hours remaining, 206.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1674000 783.6855 2088.0951 1968.1941 101.1327 -206563.3805 17818.4744 0.0000 0.0000 34097.6799 -149706.1189 297.7835 -183803.7988 -149605.9653 298.3356 -21.7429 12.5780 556088.1514 4.7670 4.7323 PRESSURE: 1674200 71.3397 -71.2093 -140.878 -71.2076 -58.4841 -94.1642 -140.88 -94.1614 27.8007 GPRESSURE: 1674200 83.4066 -117.982 -144.461 3.91758 10.8226 -129.658 -148.921 -26.889 36.9137 PRESSAVG: 1674200 -41.2966 18.8188 20.4528 18.8189 56.0279 -8.1212 20.4528 -8.12127 13.7105 GPRESSAVG: 1674200 -40.9105 20.0455 23.9952 18.696 56.286 -6.5788 20.8153 -9.07211 12.8501 TIMING: 1674200 CPU: 4998.96, 0.00296604/step Wall: 4998.96, 0.00296604/step, 2.74013 hours remaining, 206.917969 MB of memory in use. ENERGY: 1674200 745.8842 2102.6886 1932.7452 120.3279 -206417.8082 17843.3046 0.0000 0.0000 34037.9889 -149634.8687 297.2622 -183672.8576 -149544.4831 298.3898 13.5521 43.7143 557092.2813 9.4806 9.4086 PRESSURE: 1674400 103.599 165.144 25.5457 165.143 -279.318 99.4657 25.5461 99.4664 -4.56762 GPRESSURE: 1674400 124.306 96.9838 104.267 210.983 -256.134 44.6518 12.7184 149.621 48.2742 PRESSAVG: 1674400 -38.4726 -8.13592 14.2577 -8.13597 11.5315 -11.4822 14.2576 -11.4823 30.1302 GPRESSAVG: 1674400 -38.2201 -7.65141 11.9874 -7.70987 10.9381 -11.6057 15.0226 -10.6256 29.9134 TIMING: 1674400 CPU: 4999.56, 0.00296508/step Wall: 4999.56, 0.00296508/step, 2.73907 hours remaining, 206.917969 MB of memory in use. ENERGY: 1674400 730.0146 2075.2343 1925.9642 122.6853 -206217.3442 17596.2655 0.0000 0.0000 34208.1745 -149559.0058 298.7485 -183767.1803 -149462.0968 297.6697 -60.0957 -27.8513 557239.0756 1.0630 0.8771 PRESSURE: 1674600 -116.039 170.487 118.055 170.488 73.8095 13.7474 118.055 13.7478 -305.927 GPRESSURE: 1674600 -23.2761 263.311 124.1 113.659 68.5832 22.6445 95.8086 -12.713 -298.484 PRESSAVG: 1674600 25.6801 38.8355 -24.0595 38.8356 -58.7924 -32.3615 -24.0595 -32.3615 11.0784 GPRESSAVG: 1674600 25.5107 39.2661 -23.2044 39.3363 -57.8328 -31.6869 -25.1314 -32.561 9.97905 TIMING: 1674600 CPU: 5000.15, 0.00295976/step Wall: 5000.15, 0.00295976/step, 2.734 hours remaining, 206.917969 MB of memory in use. ENERGY: 1674600 738.9459 2013.4485 1902.9761 115.7280 -205990.7986 17560.3392 0.0000 0.0000 34147.8621 -149511.4987 298.2218 -183659.3608 -149410.7103 298.8769 -116.0519 -84.3923 556970.0212 -7.3446 -7.4477 PRESSURE: 1674800 7.43867 -45.8484 73.2103 -45.8481 -227.504 114.726 73.2107 114.728 -109.035 GPRESSURE: 1674800 14.2023 -18.0678 120.112 31.0131 -173.554 108.759 8.28609 57.2943 -66.4311 PRESSAVG: 1674800 70.3978 11.1522 34.9516 11.1522 -45.2285 -10.3828 34.9515 -10.3827 -57.404 GPRESSAVG: 1674800 69.8886 9.32632 35.9697 9.50204 -45.1594 -10.0564 35.7244 -10.3361 -56.5069 TIMING: 1674800 CPU: 5000.74, 0.00297939/step Wall: 5000.74, 0.00297939/step, 2.75196 hours remaining, 206.917969 MB of memory in use. ENERGY: 1674800 724.0358 2055.1595 1918.4551 105.8855 -206185.2424 17704.6413 0.0000 0.0000 34279.7303 -149397.3349 299.3734 -183677.0651 -149303.2501 298.3379 -109.7001 -75.2610 556672.0638 -10.7449 -10.5926 PRESSURE: 1675000 44.9149 -38.6223 170.118 -38.6232 -194.983 -40.8682 170.117 -40.8685 -26.1047 GPRESSURE: 1675000 -1.90692 49.0872 241.263 74.6183 -119.864 1.12997 186.79 -6.04199 36.5458 PRESSAVG: 1675000 -28.1721 19.4264 25.9502 19.4263 -2.31 19.1419 25.9501 19.142 47.531 GPRESSAVG: 1675000 -27.449 20.3278 25.4551 20.2134 -3.17698 18.8011 25.8467 17.3317 47.5158 TIMING: 1675000 CPU: 5001.34, 0.00297269/step Wall: 5001.34, 0.00297269/step, 2.74561 hours remaining, 206.917969 MB of memory in use. ENERGY: 1675000 709.7210 2078.5570 1925.8865 113.8562 -205766.5691 17444.7620 0.0000 0.0000 34214.1211 -149279.6654 298.8004 -183493.7865 -149190.5523 299.3944 -58.7242 -28.4082 556061.9815 5.6830 5.6299 PRESSURE: 1675200 27.5051 -88.5867 50.9152 -88.5866 328.923 -12.8595 50.914 -12.8595 154.227 GPRESSURE: 1675200 99.7569 -36.6033 17.6558 -86.6601 364.805 -12.0431 66.7916 -35.6553 147.784 PRESSAVG: 1675200 24.5922 10.8704 63.9318 10.8704 4.92321 -4.29704 63.9317 -4.29719 -15.1533 GPRESSAVG: 1675200 24.7221 8.62855 65.241 11.6368 5.70287 -3.18994 63.1397 -4.25295 -15.7093 TIMING: 1675200 CPU: 5001.93, 0.00297529/step Wall: 5001.93, 0.00297529/step, 2.74784 hours remaining, 206.917969 MB of memory in use. ENERGY: 1675200 749.5744 2100.2267 1929.7537 115.6658 -206537.9180 17995.2482 0.0000 0.0000 34152.5215 -149494.9278 298.2625 -183647.4492 -149396.6380 298.8571 170.2182 204.1154 554217.7688 4.7874 4.9052 PRESSURE: 1675400 -108.064 -43.8212 -95.3609 -43.8214 -89.5761 -52.0669 -95.3612 -52.0667 -100.752 GPRESSURE: 1675400 -62.2022 -133.021 -159.744 41.1801 -50.9829 -116.248 -113.361 -51.7414 -90.2751 PRESSAVG: 1675400 47.7585 49.2943 10.0762 49.2944 -44.9492 11.7748 10.0761 11.7749 2.75344 GPRESSAVG: 1675400 48.2639 48.8956 8.54933 50.9764 -46.0348 11.4026 9.52223 13.1438 2.90703 TIMING: 1675400 CPU: 5002.53, 0.00299862/step Wall: 5002.53, 0.00299862/step, 2.76923 hours remaining, 206.917969 MB of memory in use. ENERGY: 1675400 750.2261 2138.0681 1913.7305 127.0978 -205988.2610 17679.7516 0.0000 0.0000 34028.6223 -149350.7646 297.1804 -183379.3869 -149260.8106 299.7180 -99.4643 -67.8201 556735.8824 1.8542 1.7121 PRESSURE: 1675600 98.7073 -91.0577 -99.349 -91.0562 113.17 15.6316 -99.3479 15.6331 132.336 GPRESSURE: 1675600 171.483 -116.331 -136.22 -27.72 141.912 -14.7901 -43.5206 88.8581 137.296 PRESSAVG: 1675600 -4.0926 -9.22704 -2.61749 -9.22712 -7.31966 -47.26 -2.61745 -47.2601 -28.2751 GPRESSAVG: 1675600 -3.85622 -7.18548 -2.51872 -9.53466 -6.99704 -47.8748 -2.34976 -49.1873 -28.9136 TIMING: 1675600 CPU: 5003.13, 0.00298813/step Wall: 5003.13, 0.00298813/step, 2.75937 hours remaining, 206.917969 MB of memory in use. ENERGY: 1675600 736.2178 2084.8745 1900.8581 97.5482 -206517.9920 18064.2886 0.0000 0.0000 34368.1915 -149266.0133 300.1460 -183634.2048 -149158.2591 299.0731 114.7380 150.2303 556643.7672 -13.2291 -13.2556 PRESSURE: 1675800 161.473 -25.2171 -176.374 -25.2178 -228.498 -18.1767 -176.371 -18.1757 -15.4296 GPRESSURE: 1675800 162.713 75.4632 -218.424 -63.4436 -260.974 51.6302 -186.484 -44.3708 96.1622 PRESSAVG: 1675800 57.4763 -31.2337 -31.8156 -31.2336 -67.1095 36.4363 -31.8156 36.4364 15.7456 GPRESSAVG: 1675800 55.787 -30.822 -32.4066 -33.9457 -66.1934 38.4607 -32.0121 36.8265 15.723 TIMING: 1675800 CPU: 5003.73, 0.00297399/step Wall: 5003.73, 0.00297399/step, 2.74615 hours remaining, 206.917969 MB of memory in use. ENERGY: 1675800 758.4302 2095.0092 1927.0088 105.2533 -206249.5508 17766.1934 0.0000 0.0000 34328.1267 -149269.5293 299.7961 -183597.6559 -149170.8245 299.2979 -27.4848 -0.6996 557174.7310 2.0375 1.7722 PRESSURE: 1676000 -130.821 -3.94326 19.1609 -3.9432 -43.2713 -14.7944 19.1604 -14.7959 -268.559 GPRESSURE: 1676000 -126.019 -39.6997 25.5134 -21.9728 -37.4225 -26.8148 55.9094 7.96726 -189.695 PRESSAVG: 1676000 -41.3214 -0.934481 -16.3941 -0.934482 20.6118 31.0254 -16.3941 31.0254 52.8418 GPRESSAVG: 1676000 -40.3107 -1.38013 -16.0962 0.577259 20.5766 30.5047 -16.3905 31.7019 52.0497 TIMING: 1676000 CPU: 5004.32, 0.00297934/step Wall: 5004.32, 0.00297934/step, 2.75093 hours remaining, 206.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1676000 717.7861 2086.9585 1935.1235 109.7237 -205709.8072 17473.6566 0.0000 0.0000 34248.7053 -149137.8535 299.1025 -183386.5589 -149045.1051 299.9871 -147.5506 -117.7122 557091.0784 10.7107 10.7718 PRESSURE: 1676200 159.609 0.342011 208.076 0.343203 -33.272 42.6266 208.075 42.6248 -104.456 GPRESSURE: 1676200 216.78 47.8208 95.1089 -43.013 -27.9313 -4.02195 253.031 75.6781 -64.3484 PRESSAVG: 1676200 25.141 27.3973 60.9378 27.3973 -17.4215 62.9858 60.9378 62.9858 44.358 GPRESSAVG: 1676200 25.0881 27.3096 58.2031 25.0895 -19.079 60.6577 61.3585 62.5191 46.2691 TIMING: 1676200 CPU: 5004.92, 0.00298567/step Wall: 5004.92, 0.00298567/step, 2.7566 hours remaining, 206.984375 MB of memory in use. ENERGY: 1676200 780.6973 2072.7201 1929.0518 102.0951 -205910.2386 17647.2834 0.0000 0.0000 34364.0604 -149014.3304 300.1099 -183378.3908 -148911.6879 300.4242 7.2939 41.5002 556858.0591 17.3592 17.4261 LDB: ============= START OF LOAD BALANCING ============== 5008.47 LDB: ============== END OF LOAD BALANCING =============== 5008.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5008.47 LDB: ============= START OF LOAD BALANCING ============== 5008.77 LDB: Largest compute 4772 load 0.028434 is 24.1% of average load 0.118228 LDB: Average compute 0.001722 is 1.5% of average load 0.118228 LDB: TIME 5008.77 LOAD: AVG 0.118228 MAX 0.210315 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 5008.77 LOAD: AVG 0.118228 MAX 0.210315 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 5008.77 LOAD: AVG 0.118228 MAX 0.210315 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5008.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5008.78 PRESSURE: 1676400 -305.897 -97.3728 82.1347 -97.3715 -216.207 30.9132 82.1343 30.9124 -200.095 GPRESSURE: 1676400 -270.152 -61.3338 75.3954 -61.2895 -160.257 -50.3395 98.9863 73.1815 -195.18 PRESSAVG: 1676400 56.2759 -48.3151 34.271 -48.3151 -27.9958 -3.5093 34.2709 -3.50927 -28.4999 GPRESSAVG: 1676400 56.6115 -47.919 36.5073 -45.7466 -28.0528 -1.72255 35.2352 -4.61754 -28.9887 TIMING: 1676400 CPU: 5005.53, 0.00303457/step Wall: 5005.53, 0.00303457/step, 2.80158 hours remaining, 207.226562 MB of memory in use. ENERGY: 1676400 763.5424 2057.8778 1908.2235 108.4304 -205934.2285 17556.4507 0.0000 0.0000 34342.7927 -149196.9109 299.9242 -183539.7036 -149097.6801 299.7253 -240.7329 -208.5297 556900.2197 -0.0733 -0.1433 PRESSURE: 1676600 -331.586 -124.181 47.107 -124.182 -18.4446 55.9772 47.1065 55.9777 -107.947 GPRESSURE: 1676600 -344.804 -77.1803 57.2071 -39.4636 21.7294 81.6173 -60.8846 68.2721 -22.5491 PRESSAVG: 1676600 -67.2518 2.82731 2.75518 2.82732 74.8172 63.3579 2.75526 63.3581 -10.3671 GPRESSAVG: 1676600 -66.6431 1.96968 4.68681 2.47768 74.7323 65.1461 1.17659 63.7527 -10.7967 TIMING: 1676600 CPU: 5006.12, 0.00298377/step Wall: 5006.12, 0.00298377/step, 2.75452 hours remaining, 207.226562 MB of memory in use. ENERGY: 1676600 757.4483 2052.2489 1945.5325 106.7762 -205931.2887 17524.3816 0.0000 0.0000 34300.2239 -149244.6773 299.5524 -183544.9011 -149147.4504 299.4557 -152.6593 -115.2079 556483.9668 -0.9339 -0.9025 PRESSURE: 1676800 18.1355 -18.7234 -62.4951 -18.7241 -189.303 -28.0177 -62.4946 -28.0185 -354.579 GPRESSURE: 1676800 53.4152 -32.374 9.19365 -11.7328 -127.709 -28.9465 -97.8493 -45.1084 -351.06 PRESSAVG: 1676800 -4.0853 26.3573 39.1038 26.3573 -40.8801 -36.8084 39.1039 -36.8084 55.0018 GPRESSAVG: 1676800 -4.50493 27.7891 38.3604 26.5719 -39.8381 -38.0454 38.1842 -35.9608 54.7774 TIMING: 1676800 CPU: 5006.73, 0.00301539/step Wall: 5006.73, 0.00301539/step, 2.78354 hours remaining, 207.226562 MB of memory in use. ENERGY: 1676800 734.1381 2095.4001 1938.2826 111.8737 -205690.6894 17462.7873 0.0000 0.0000 34133.5973 -149214.6103 298.0972 -183348.2076 -149129.7344 300.1178 -175.2490 -141.7844 556939.8251 3.3455 3.4781 PRESSURE: 1677000 -83.9196 -83.412 87.8737 -83.4127 27.4211 -161.178 87.8749 -161.178 52.9269 GPRESSURE: 1677000 -9.50466 -61.2954 65.4038 -88.1249 8.31769 -19.3984 55.1121 -269.517 94.4878 PRESSAVG: 1677000 1.57822 -10.4088 54.9192 -10.4087 -4.6399 1.71386 54.9192 1.71381 20.3651 GPRESSAVG: 1677000 2.15918 -11.4404 53.233 -8.54813 -6.07892 0.276996 56.9149 0.68993 20.785 TIMING: 1677000 CPU: 5007.32, 0.00299092/step Wall: 5007.32, 0.00299092/step, 2.76079 hours remaining, 207.226562 MB of memory in use. ENERGY: 1677000 752.4613 2097.8675 1929.1744 107.0506 -206168.7653 17751.2217 0.0000 0.0000 34191.7435 -149339.2462 298.6050 -183530.9897 -149245.6040 299.0211 -1.1905 31.1003 555976.1810 5.7678 5.6218 PRESSURE: 1677200 -184.739 12.8747 -54.4593 12.876 -128.865 53.6942 -54.4588 53.6944 144.398 GPRESSURE: 1677200 -144.019 4.51199 4.01905 23.4261 -115.852 12.2187 -14.1809 13.5018 189.388 PRESSAVG: 1677200 -78.6226 33.8366 67.2658 33.8366 -68.3979 -8.24942 67.2659 -8.24946 128.334 GPRESSAVG: 1677200 -78.003 33.3101 70.0703 33.5979 -67.5301 -8.17114 64.805 -7.56456 127.634 TIMING: 1677200 CPU: 5007.92, 0.00298859/step Wall: 5007.92, 0.00298859/step, 2.75847 hours remaining, 207.226562 MB of memory in use. ENERGY: 1677200 752.1991 2144.6572 1936.8796 108.5856 -206517.7991 17835.1216 0.0000 0.0000 34311.2306 -149429.1255 299.6485 -183740.3561 -149337.5407 298.9845 -56.4021 -23.4942 556266.6841 -6.2287 -5.9664 PRESSURE: 1677400 5.95332 -172.977 158.621 -172.978 -82.9074 -15.2596 158.622 -15.2598 128.331 GPRESSURE: 1677400 48.2948 -141.943 200.511 -137.644 -43.2689 -41.2154 94.8858 -33.3701 149.617 PRESSAVG: 1677400 -8.78569 2.80079 72.482 2.8007 -64.6649 -64.613 72.4821 -64.613 89.9998 GPRESSAVG: 1677400 -9.95519 2.09752 69.3505 1.76216 -63.1555 -65.359 73.2001 -62.9432 90.7684 TIMING: 1677400 CPU: 5008.52, 0.00298787/step Wall: 5008.52, 0.00298787/step, 2.75764 hours remaining, 207.226562 MB of memory in use. ENERGY: 1677400 701.4885 2052.2489 1939.0491 110.3489 -206541.0777 17917.8549 0.0000 0.0000 34479.8799 -149340.2076 301.1214 -183820.0874 -149244.4204 299.2579 17.1257 51.5478 556411.1806 5.5164 5.8859 PRESSURE: 1677600 -55.3153 -80.3015 26.1477 -80.3009 156.025 -72.6953 26.1481 -72.6958 169.308 GPRESSURE: 1677600 20.4078 -77.6673 33.7465 8.8882 202.679 -142.4 -54.6837 -12.3539 149.156 PRESSAVG: 1677600 -18.0562 3.62699 31.4715 3.62696 -4.50685 -25.5473 31.4715 -25.5473 67.0739 GPRESSAVG: 1677600 -16.9705 5.47379 33.5748 2.77183 -4.72737 -25.6947 29.7882 -27.2749 66.102 TIMING: 1677600 CPU: 5009.11, 0.00297477/step Wall: 5009.11, 0.00297477/step, 2.74538 hours remaining, 207.226562 MB of memory in use. ENERGY: 1677600 741.4794 2098.1726 1933.4364 100.3580 -206336.1904 18007.2086 0.0000 0.0000 34123.2143 -149332.3211 298.0065 -183455.5354 -149229.7087 299.4398 90.0058 124.0807 556423.3420 14.8370 14.8014 PRESSURE: 1677800 108.644 -58.8503 26.928 -58.8504 -21.6607 -74.4684 26.9277 -74.4663 -106.545 GPRESSURE: 1677800 139.266 -23.0169 -17.8585 -37.7808 14.7514 -23.4597 26.1002 -168.892 -71.9229 PRESSAVG: 1677800 -16.0212 2.79839 25.4921 2.79835 -58.5093 18.9086 25.4922 18.9087 82.1633 GPRESSAVG: 1677800 -16.1184 2.10401 27.5456 3.84078 -58.3112 20.3103 26.8539 17.2746 82.0356 TIMING: 1677800 CPU: 5009.71, 0.00299388/step Wall: 5009.71, 0.00299388/step, 2.76285 hours remaining, 207.226562 MB of memory in use. ENERGY: 1677800 742.3449 2046.8133 1922.2301 115.1183 -206337.1388 17744.9339 0.0000 0.0000 34336.1826 -149429.5158 299.8664 -183765.6983 -149320.6305 300.0908 -6.5205 27.3647 556214.7008 2.5443 2.5353 PRESSURE: 1678000 -52.8591 31.6282 66.8729 31.6291 -58.3351 -39.5592 66.8727 -39.5578 -33.9501 GPRESSURE: 1678000 -11.1953 37.5143 87.3819 -24.5459 -3.80736 -70.233 -9.69111 -64.0293 -42.6723 PRESSAVG: 1678000 61.234 -56.3803 -9.52125 -56.3803 -65.911 33.1475 -9.52127 33.1475 -15.9706 GPRESSAVG: 1678000 61.9932 -57.7518 -12.6203 -54.0548 -67.3382 33.8385 -7.9325 35.3466 -15.5072 TIMING: 1678000 CPU: 5010.31, 0.00299514/step Wall: 5010.31, 0.00299514/step, 2.76385 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1678000 748.7883 2113.9505 1920.1340 117.7555 -205982.9552 17521.7647 0.0000 0.0000 34203.6643 -149356.8980 298.7091 -183560.5622 -149255.3411 299.1877 -48.3815 -19.2250 556035.9142 -6.8825 -6.9507 PRESSURE: 1678200 186.251 89.7201 -22.128 89.7202 104.25 -63.5102 -22.1277 -63.5098 77.5041 GPRESSURE: 1678200 193.913 -34.1918 97.8484 179.499 109.038 -77.789 -25.8683 -58.4754 162.273 PRESSAVG: 1678200 -3.00421 -36.0602 34.6156 -36.0602 3.72519 -17.9944 34.6156 -17.9944 8.91587 GPRESSAVG: 1678200 -4.39739 -34.8311 34.3244 -37.3837 4.8402 -19.4983 34.3426 -17.9922 8.6261 TIMING: 1678200 CPU: 5010.92, 0.00302073/step Wall: 5010.92, 0.00302073/step, 2.7873 hours remaining, 207.226562 MB of memory in use. ENERGY: 1678200 729.9549 2069.6199 1927.3275 102.8905 -206368.2793 17879.4087 0.0000 0.0000 34336.6217 -149322.4559 299.8703 -183659.0777 -149221.4599 299.8143 122.6684 155.0746 555114.6710 3.2123 3.0230 PRESSURE: 1678400 35.4968 -117.913 41.4318 -117.913 -261.337 37.0611 41.4305 37.0605 -161.557 GPRESSURE: 1678400 38.083 -102.659 11.3968 -68.5892 -250.684 -110.834 51.5431 164.505 -67.2437 PRESSAVG: 1678400 -1.09135 -4.07893 34.5989 -4.07886 45.5856 -36.8967 34.5989 -36.8965 -80.4998 GPRESSAVG: 1678400 -1.32568 -4.67229 33.859 -4.01273 44.3722 -35.9028 34.1582 -36.1589 -79.2553 TIMING: 1678400 CPU: 5011.51, 0.00295618/step Wall: 5011.51, 0.00295618/step, 2.72757 hours remaining, 207.484375 MB of memory in use. ENERGY: 1678400 764.4202 2084.9447 1892.8918 113.8208 -206261.4862 17723.2463 0.0000 0.0000 34215.2534 -149466.9089 298.8103 -183682.1623 -149372.9501 299.1604 -129.1322 -93.2814 555937.3363 -12.0019 -12.0696 PRESSURE: 1678600 -176.427 -15.0436 -87.8131 -15.0447 -269.029 21.4299 -87.8119 21.4303 -294.158 GPRESSURE: 1678600 -133.087 -17.0439 -156.003 -65.5317 -171.715 20.3525 -20.7709 -32.9115 -334.966 PRESSAVG: 1678600 77.4794 -21.4027 3.87409 -21.4027 -18.9216 -30.8393 3.87404 -30.8393 -60.4786 GPRESSAVG: 1678600 78.2784 -21.1004 6.79573 -22.137 -18.8311 -32.6141 3.47903 -31.4422 -61.8052 TIMING: 1678600 CPU: 5012.11, 0.00299335/step Wall: 5012.11, 0.00299335/step, 2.7617 hours remaining, 207.484375 MB of memory in use. ENERGY: 1678600 784.3873 2081.0533 1914.1329 104.1718 -206091.5063 17471.4981 0.0000 0.0000 34208.9725 -149527.2903 298.7555 -183736.2628 -149426.9604 298.8583 -246.5384 -213.2561 556868.4494 -0.6403 -0.7860 PRESSURE: 1678800 -73.7117 54.3188 -149.721 54.3189 -4.1014 -55.3004 -149.722 -55.3009 -78.8317 GPRESSURE: 1678800 -80.1211 121.059 -113.839 -31.5377 20.2628 -31.4505 -223.105 -178.906 17.2594 PRESSAVG: 1678800 -13.4532 1.53735 -35.1376 1.5374 -26.2435 -39.7369 -35.1378 -39.7369 47.4636 GPRESSAVG: 1678800 -14.0855 -0.950486 -35.5757 1.01882 -25.7813 -40.5098 -35.7316 -39.8053 47.7462 TIMING: 1678800 CPU: 5012.7, 0.0029888/step Wall: 5012.7, 0.0029888/step, 2.75733 hours remaining, 207.484375 MB of memory in use. ENERGY: 1678800 745.3747 2146.7784 1910.1688 125.6881 -206662.3324 17885.8213 0.0000 0.0000 34311.8018 -149536.6993 299.6535 -183848.5012 -149441.0092 298.9743 -52.2149 -14.1996 557782.3292 2.5890 2.6264 PRESSURE: 1679000 -37.1696 -146.475 -33.5946 -146.474 3.04995 99.9712 -33.5952 99.9707 56.0291 GPRESSURE: 1679000 -36.6174 -112.9 -54.9854 -111.759 57.3509 77.616 -72.2595 138.097 102.457 PRESSAVG: 1679000 -20.2492 -72.8473 -36.673 -72.8472 2.61872 -54.9737 -36.6729 -54.9737 1.28706 GPRESSAVG: 1679000 -18.9408 -71.1309 -36.806 -71.3648 2.43944 -54.4612 -35.9294 -54.1278 0.263025 TIMING: 1679000 CPU: 5013.31, 0.00300811/step Wall: 5013.31, 0.00300811/step, 2.77498 hours remaining, 207.484375 MB of memory in use. ENERGY: 1679000 760.4103 2095.6682 1915.0847 95.7788 -206354.4879 17822.6199 0.0000 0.0000 34256.1649 -149408.7609 299.1676 -183664.9258 -149306.3874 298.5429 7.3032 41.0635 555963.6862 -5.4478 -5.4128 PRESSURE: 1679200 6.142 68.9387 30.1126 68.9386 208.595 69.4478 30.112 69.447 -310.428 GPRESSURE: 1679200 49.5901 57.5929 26.6234 152.233 209.124 131.293 -23.5632 87.5068 -255.291 PRESSAVG: 1679200 -29.2462 17.6687 6.63965 17.6688 71.2317 -11.3958 6.63965 -11.3958 -14.9784 GPRESSAVG: 1679200 -29.0391 16.9589 5.31748 17.6356 70.782 -9.62101 6.25061 -13.5334 -14.3717 TIMING: 1679200 CPU: 5013.91, 0.00303712/step Wall: 5013.91, 0.00303712/step, 2.80157 hours remaining, 207.484375 MB of memory in use. ENERGY: 1679200 755.9336 2076.1253 1896.7621 114.2892 -206253.6332 17768.6154 0.0000 0.0000 34315.7246 -149326.1830 299.6878 -183641.9076 -149226.3613 298.5055 -31.8971 1.1409 556122.3597 9.0024 9.1238 PRESSURE: 1679400 -91.1821 -26.8249 -135.14 -26.8251 -257.299 -149.033 -135.14 -149.034 74.8131 GPRESSURE: 1679400 -59.9667 -14.0329 -170.678 -44.6252 -200.603 -108.487 -19.3605 -235.701 82.1924 PRESSAVG: 1679400 -4.50982 -21.8463 -15.2469 -21.8464 43.4701 18.4163 -15.2469 18.4162 -51.6318 GPRESSAVG: 1679400 -6.07609 -23.0998 -14.9566 -22.2705 44.4458 18.0723 -14.1342 18.6537 -51.3255 TIMING: 1679400 CPU: 5014.51, 0.00299944/step Wall: 5014.51, 0.00299944/step, 2.76665 hours remaining, 207.484375 MB of memory in use. ENERGY: 1679400 763.1343 2118.8447 1920.3363 104.1161 -206391.0330 17871.4504 0.0000 0.0000 34335.5299 -149277.6213 299.8607 -183613.1512 -149176.2396 299.4487 -91.2226 -59.4591 556711.4946 -4.2238 -4.3186 PRESSURE: 1679600 13.8216 -29.6138 68.1026 -29.6136 -107.779 57.8879 68.101 57.8871 -163.223 GPRESSURE: 1679600 23.2866 -15.1416 60.705 -91.2647 -86.2098 35.2884 71.1406 164.744 -94.9155 PRESSAVG: 1679600 -4.39224 24.6829 -31.0306 24.6829 26.1282 -48.2676 -31.0305 -48.2675 16.7146 GPRESSAVG: 1679600 -4.38373 27.1374 -31.0933 24.8877 27.1837 -48.0018 -32.5087 -47.5388 15.5771 TIMING: 1679600 CPU: 5015.11, 0.0029755/step Wall: 5015.11, 0.0029755/step, 2.7444 hours remaining, 207.484375 MB of memory in use. ENERGY: 1679600 756.3947 2107.9177 1926.4092 115.4209 -206102.4055 17703.5023 0.0000 0.0000 34178.9011 -149313.8597 298.4928 -183492.7608 -149222.6845 298.7895 -85.7269 -52.6129 558839.1690 12.8168 12.7923 PRESSURE: 1679800 -112.979 -93.0678 -178.56 -93.0669 -36.9592 -68.5119 -178.56 -68.5125 14.9073 GPRESSURE: 1679800 -89.2272 -158.773 -142.703 -34.0897 -20.212 -149.544 -249.605 -70.193 66.7016 PRESSAVG: 1679800 -14.7277 -31.7791 21.6829 -31.779 9.23625 -5.30848 21.683 -5.30839 -43.7413 GPRESSAVG: 1679800 -15.0857 -31.8878 22.0281 -32.7705 8.01253 -6.28277 23.6022 -6.15907 -42.7903 TIMING: 1679800 CPU: 5015.71, 0.00299799/step Wall: 5015.71, 0.00299799/step, 2.76498 hours remaining, 207.484375 MB of memory in use. ENERGY: 1679800 734.5876 2124.7584 1933.4447 116.2289 -206369.5806 17873.9371 0.0000 0.0000 34438.4409 -149148.1831 300.7595 -183586.6240 -149055.0596 298.9617 -45.0104 -14.2459 557898.8979 -16.4109 -16.6212 PRESSURE: 1680000 -370.661 -10.4318 47.1185 -10.432 -180.36 66.3422 47.1194 66.3434 -178.676 GPRESSURE: 1680000 -329.886 2.73022 20.0063 -115.991 -123.107 37.0336 57.2107 174.041 -175.101 PRESSAVG: 1680000 14.2974 -13.4138 -35.1216 -13.4137 7.53126 -26.8789 -35.1216 -26.8789 -14.8358 GPRESSAVG: 1680000 13.51 -14.6948 -34.1349 -12.9998 7.55787 -26.113 -37.647 -25.6547 -13.9987 TIMING: 1680000 CPU: 5016.31, 0.00299554/step Wall: 5016.31, 0.00299554/step, 2.76256 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1680000 725.4141 2095.3730 1930.0215 125.0404 -205927.7899 17599.6251 0.0000 0.0000 34100.5937 -149351.7221 297.8090 -183452.3158 -149256.0817 299.6886 -243.2325 -209.3647 558933.9597 2.3310 2.3564 PRESSURE: 1680200 362.2 -54.0497 -91.8864 -54.0493 245.212 2.02862 -91.8864 2.02959 -17.491 GPRESSURE: 1680200 363.377 -41.3845 -184.123 -66.6297 293.922 22.3547 -16.0167 -18.949 35.4963 PRESSAVG: 1680200 45.48 23.0483 -37.0018 23.0482 38.9076 -22.5077 -37.0019 -22.5076 -84.1146 GPRESSAVG: 1680200 45.6245 25.1771 -37.2335 23.0976 39.6201 -23.636 -36.1496 -21.4656 -85.1613 TIMING: 1680200 CPU: 5016.9, 0.00297452/step Wall: 5016.9, 0.00297452/step, 2.743 hours remaining, 207.484375 MB of memory in use. ENERGY: 1680200 732.6498 2105.1364 1929.1402 109.8552 -206344.9112 17995.6177 0.0000 0.0000 34080.8181 -149391.6936 297.6363 -183472.5118 -149302.2412 298.9974 196.6405 230.9319 558489.6599 0.0910 0.0278 LDB: ============= START OF LOAD BALANCING ============== 5020.45 LDB: ============== END OF LOAD BALANCING =============== 5020.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5020.45 LDB: ============= START OF LOAD BALANCING ============== 5020.74 LDB: Largest compute 4772 load 0.027055 is 22.9% of average load 0.118215 LDB: Average compute 0.001720 is 1.5% of average load 0.118215 LDB: TIME 5020.75 LOAD: AVG 0.118215 MAX 0.207727 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 5020.75 LOAD: AVG 0.118215 MAX 0.207727 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 5020.75 LOAD: AVG 0.118215 MAX 0.207727 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5020.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5020.75 PRESSURE: 1680400 -220.263 -73.7006 -29.7815 -73.7012 -149.06 46.5241 -29.78 46.5227 -430.761 GPRESSURE: 1680400 -248.327 -126.507 46.6542 32.8589 -53.2391 34.3662 -79.4707 -17.575 -408.15 PRESSAVG: 1680400 12.2636 -17.4839 -3.0784 -17.4838 27.8804 -24.4698 -3.07845 -24.4698 -4.22856 GPRESSAVG: 1680400 12.9144 -17.7727 -3.52904 -15.8934 27.3661 -24.3665 -3.03718 -26.8514 -4.32885 TIMING: 1680400 CPU: 5017.5, 0.00301089/step Wall: 5017.5, 0.00301089/step, 2.77637 hours remaining, 207.226562 MB of memory in use. ENERGY: 1680400 754.7744 2096.0726 1930.0614 113.7233 -206054.6704 17469.3707 0.0000 0.0000 34439.1697 -149251.4983 300.7658 -183690.6680 -149156.0988 299.5164 -266.6945 -236.5722 558145.6455 11.9718 11.9839 PRESSURE: 1680600 260.108 -22.9901 193.336 -22.9909 -208.261 -55.7264 193.337 -55.725 -203.051 GPRESSURE: 1680600 298.82 135.198 223.977 -0.663838 -125.559 4.49592 227.904 -88.5189 -211.948 PRESSAVG: 1680600 6.60948 -57.447 31.184 -57.447 67.9557 -46.5583 31.184 -46.5582 -67.5134 GPRESSAVG: 1680600 6.84604 -57.8298 32.6381 -58.161 67.0745 -45.7754 30.9074 -45.9793 -67.2406 TIMING: 1680600 CPU: 5018.09, 0.00295339/step Wall: 5018.09, 0.00295339/step, 2.72319 hours remaining, 207.226562 MB of memory in use. ENERGY: 1680600 753.8911 2098.7909 1904.1172 111.0698 -206162.0263 17770.3047 0.0000 0.0000 34250.8832 -149272.9693 299.1215 -183523.8525 -149172.4269 299.9345 -50.4014 -12.8957 558508.8578 2.3506 2.2267 PRESSURE: 1680800 -122.652 -107.217 93.2964 -107.216 20.767 -23.745 93.2971 -23.7463 202.339 GPRESSURE: 1680800 -90.0272 -41.6008 162.674 -134.747 103.271 57.0376 29.3098 -127.077 177.688 PRESSAVG: 1680800 62.0588 18.0716 32.32 18.0716 -27.0954 -2.30994 32.32 -2.30996 -37.6733 GPRESSAVG: 1680800 62.781 18.6933 32.3011 15.9155 -26.9196 -1.0456 31.2759 -1.27937 -38.6549 TIMING: 1680800 CPU: 5018.69, 0.00296839/step Wall: 5018.69, 0.00296839/step, 2.73685 hours remaining, 207.226562 MB of memory in use. ENERGY: 1680800 772.5723 2069.6962 1920.3946 98.9532 -206401.4525 17898.5127 0.0000 0.0000 34252.0643 -149389.2591 299.1318 -183641.3235 -149289.3105 299.3082 33.4847 63.6437 557912.5136 -0.9033 -0.9312 PRESSURE: 1681000 -60.3282 -13.1481 96.9444 -13.1491 9.59822 -11.746 96.9448 -11.7464 -118.647 GPRESSURE: 1681000 -19.2261 -19.4095 157.713 35.7212 47.5446 33.7307 146.47 -0.502394 -108.001 PRESSAVG: 1681000 -78.8529 23.3523 -33.9907 23.3523 41.8087 12.5672 -33.9905 12.5672 19.0456 GPRESSAVG: 1681000 -79.4593 23.8899 -35.9433 24.8828 41.214 10.2969 -32.0562 13.346 20.1746 TIMING: 1681000 CPU: 5019.28, 0.00295819/step Wall: 5019.28, 0.00295819/step, 2.72728 hours remaining, 207.226562 MB of memory in use. ENERGY: 1681000 725.7213 2074.3997 1934.4290 105.2475 -206102.5874 17729.6042 0.0000 0.0000 34114.0808 -149419.1050 297.9268 -183533.1857 -149320.7705 298.9511 -56.4590 -26.5608 559015.8299 -5.9996 -6.0236 PRESSURE: 1681200 85.0549 -188.828 48.8475 -188.828 138.36 -195.461 48.8475 -195.462 -239.819 GPRESSURE: 1681200 99.8897 -70.6708 21.7621 -276.945 151.79 -137.378 75.1568 -207.427 -179.919 PRESSAVG: 1681200 -6.9704 -33.7508 74.366 -33.7508 -22.0359 -3.11733 74.3661 -3.11731 -7.20963 GPRESSAVG: 1681200 -7.42131 -36.7615 75.5666 -33.2439 -22.088 -2.1928 74.7354 -4.61929 -6.99093 TIMING: 1681200 CPU: 5019.87, 0.00297407/step Wall: 5019.87, 0.00297406/step, 2.74176 hours remaining, 207.226562 MB of memory in use. ENERGY: 1681200 758.9372 2091.8761 1905.0633 112.8316 -206064.1960 17758.0333 0.0000 0.0000 34042.4585 -149394.9962 297.3013 -183437.4547 -149303.3433 298.4653 -5.4680 23.9204 556695.3014 -12.0720 -12.1667 PRESSURE: 1681400 -168.636 71.7998 -36.5819 71.8005 -125.154 -37.7686 -36.5829 -37.7698 -297.184 GPRESSURE: 1681400 -88.1143 14.4307 -0.522929 10.692 -102.844 74.3396 -38.6346 -44.9239 -313.008 PRESSAVG: 1681400 -70.0298 43.2751 62.2515 43.2752 30.6331 16.6742 62.2514 16.6741 -6.68559 GPRESSAVG: 1681400 -69.7737 43.8184 60.9256 43.5981 31.3257 17.4351 63.294 17.8022 -7.26148 TIMING: 1681400 CPU: 5020.47, 0.00296592/step Wall: 5020.47, 0.00296592/step, 2.73408 hours remaining, 207.226562 MB of memory in use. ENERGY: 1681400 755.0284 2086.1081 1915.6318 110.0944 -205927.5632 17496.6616 0.0000 0.0000 34170.3388 -149393.7000 298.4181 -183564.0389 -149301.9594 298.7238 -196.9916 -167.9886 557369.9042 -15.3608 -15.2365 PRESSURE: 1681600 20.4914 79.0317 102.325 79.0329 -33.2037 100.577 102.325 100.578 116.506 GPRESSURE: 1681600 86.8256 49.9936 157.544 36.1985 -10.4144 66.7966 74.524 138.092 134.986 PRESSAVG: 1681600 3.2449 -25.142 29.4585 -25.1419 0.169946 -2.47632 29.4585 -2.47617 -35.5799 GPRESSAVG: 1681600 3.07702 -24.591 31.1582 -25.5469 -0.745584 -1.08516 26.7149 -3.40493 -34.335 TIMING: 1681600 CPU: 5021.06, 0.00296647/step Wall: 5021.06, 0.00296647/step, 2.73443 hours remaining, 207.226562 MB of memory in use. ENERGY: 1681600 707.8770 2106.3886 1915.2482 97.8170 -205874.2131 17595.6136 0.0000 0.0000 34141.5914 -149309.6772 298.1670 -183451.2686 -149217.7543 298.5521 34.5978 70.4658 556853.9841 -10.7217 -10.6679 PRESSURE: 1681800 -146.276 -94.7679 -135.958 -94.7669 -30.1875 -148.4 -135.959 -148.399 35.1527 GPRESSURE: 1681800 -139.349 -11.1252 -188.284 -106.488 31.9164 -178.817 -83.5347 -168.493 55.755 PRESSAVG: 1681800 -74.9174 -27.9363 -30.3902 -27.9362 68.5631 -17.4418 -30.3903 -17.4417 86.0881 GPRESSAVG: 1681800 -75.4196 -26.9743 -31.8316 -27.9775 70.6434 -18.22 -30.0378 -19.6583 84.7676 TIMING: 1681800 CPU: 5021.65, 0.00296801/step Wall: 5021.65, 0.00296801/step, 2.73568 hours remaining, 207.226562 MB of memory in use. ENERGY: 1681800 707.9874 2098.8342 1914.6756 111.7780 -206071.1384 17638.6364 0.0000 0.0000 34281.5666 -149317.6602 299.3894 -183599.2269 -149227.9837 298.9381 -47.1035 -17.2259 558172.0512 26.5780 26.6638 PRESSURE: 1682000 -310.024 -43.0504 -205.081 -43.0498 -209.085 -93.6561 -205.081 -93.6573 -132.642 GPRESSURE: 1682000 -285.91 -25.7243 -105.131 -13.0477 -159.044 -181.086 -220.753 -48.7881 -113.357 PRESSAVG: 1682000 -74.2561 51.6248 -64.8902 51.6248 -38.3579 -5.64627 -64.8903 -5.64632 28.4937 GPRESSAVG: 1682000 -73.4962 51.637 -63.2776 50.5699 -39.1525 -5.03125 -62.5156 -3.78154 29.2144 TIMING: 1682000 CPU: 5022.25, 0.00298642/step Wall: 5022.25, 0.00298642/step, 2.75248 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1682000 764.7127 2068.6237 1931.7158 99.2928 -205824.0540 17492.6300 0.0000 0.0000 34274.4110 -149192.6679 299.3270 -183467.0789 -149096.8225 299.0074 -217.2506 -186.1035 557389.5356 -28.0401 -27.8114 PRESSURE: 1682200 -154.888 -126.609 50.897 -126.61 -283.124 57.9108 50.8968 57.9116 -136.985 GPRESSURE: 1682200 -82.431 -50.7264 64.411 -128.583 -247.372 62.4524 55.6226 -30.9554 -158.37 PRESSAVG: 1682200 -76.3592 -14.8904 7.86732 -14.8905 -1.41292 -47.4636 7.86724 -47.4636 92.037 GPRESSAVG: 1682200 -75.0322 -14.8372 6.34142 -14.5444 -1.1255 -49.2703 8.08958 -47.4719 90.3087 TIMING: 1682200 CPU: 5022.85, 0.00299151/step Wall: 5022.85, 0.00299151/step, 2.75701 hours remaining, 207.226562 MB of memory in use. ENERGY: 1682200 726.3287 2137.4674 1947.5335 101.3035 -205854.5465 17506.2600 0.0000 0.0000 34236.1267 -149199.5267 298.9926 -183435.6533 -149099.3643 298.6417 -191.6656 -162.7242 557381.7235 4.7550 4.7170 PRESSURE: 1682400 43.126 108.532 22.3654 108.532 198.435 42.3531 22.3655 42.3527 103.967 GPRESSURE: 1682400 123.208 110.951 -41.7115 115.592 252.908 54.5388 11.4491 64.6501 60.7514 PRESSAVG: 1682400 21.9665 19.497 -29.478 19.4969 58.2751 7.08216 -29.478 7.08225 -30.8827 GPRESSAVG: 1682400 20.1179 21.5372 -27.9498 17.8088 59.9746 8.05715 -33.1186 6.8405 -30.4363 TIMING: 1682400 CPU: 5023.45, 0.00299296/step Wall: 5023.45, 0.00299296/step, 2.75818 hours remaining, 207.226562 MB of memory in use. ENERGY: 1682400 739.3548 2072.8349 1922.6958 119.0078 -206357.0925 17842.3497 0.0000 0.0000 34314.5197 -149346.3299 299.6772 -183660.8495 -149249.1991 299.7151 115.1760 145.6225 557454.2603 16.4530 16.5521 PRESSURE: 1682600 -29.5315 -2.00006 -228.436 -2.0007 53.9194 76.8407 -228.435 76.8401 -236.767 GPRESSURE: 1682600 -36.8531 2.20924 -262.076 -46.3834 110.614 79.277 -151.933 66.8396 -194.786 PRESSAVG: 1682600 23.7564 -8.7069 -0.681003 -8.70691 45.2698 11.0901 -0.681095 11.0901 -37.5784 GPRESSAVG: 1682600 25.0273 -12.1613 -1.90277 -7.30538 43.1274 7.83362 1.70723 13.1223 -37.0425 TIMING: 1682600 CPU: 5024.04, 0.00297786/step Wall: 5024.04, 0.00297786/step, 2.7441 hours remaining, 207.226562 MB of memory in use. ENERGY: 1682600 742.4545 2134.8325 1921.1903 101.8204 -205646.3878 17440.8270 0.0000 0.0000 34056.3245 -149248.9387 297.4224 -183305.2632 -149150.2435 298.6097 -70.7932 -40.3415 557754.0038 10.4826 10.3707 PRESSURE: 1682800 -5.16863 30.6766 66.2723 30.677 -56.381 23.6376 66.274 23.6372 198.335 GPRESSURE: 1682800 91.3422 -14.4527 86.2568 0.95379 -82.2645 -8.47697 -25.7272 91.4181 225.262 PRESSAVG: 1682800 18.6762 43.1429 4.09498 43.1427 -13.393 30.0191 4.095 30.0191 -11.2067 GPRESSAVG: 1682800 18.3414 42.6818 3.83606 42.885 -12.5272 30.5809 3.8598 28.3237 -11.6339 TIMING: 1682800 CPU: 5024.64, 0.00299345/step Wall: 5024.64, 0.00299345/step, 2.75829 hours remaining, 207.226562 MB of memory in use. ENERGY: 1682800 700.3953 2153.3516 1947.1343 129.6685 -206016.2886 17827.9607 0.0000 0.0000 34114.8381 -149142.9401 297.9334 -183257.7782 -149049.2766 299.0699 45.5950 78.1131 557306.9663 -1.9745 -1.9399 PRESSURE: 1683000 -15.2147 263.089 229.081 263.089 -114.492 -108.573 229.081 -108.574 -113.161 GPRESSURE: 1683000 32.8537 235.734 223.346 227.204 -74.1644 -135.03 171.168 -152.888 -121.572 PRESSAVG: 1683000 -7.94205 40.1775 48.3046 40.1776 3.26668 -17.2854 48.3046 -17.2854 5.56292 GPRESSAVG: 1683000 -7.66781 40.4301 50.528 42.0192 3.30044 -16.4569 47.7712 -17.7339 5.73694 TIMING: 1683000 CPU: 5025.24, 0.0029921/step Wall: 5025.24, 0.0029921/step, 2.75689 hours remaining, 207.226562 MB of memory in use. ENERGY: 1683000 736.6822 2059.3609 1939.1533 98.7883 -205848.4168 17570.4272 0.0000 0.0000 34238.3655 -149205.6394 299.0122 -183444.0049 -149110.3884 299.4072 -80.9556 -54.2943 557187.9476 0.2959 0.4565 PRESSURE: 1683200 -161.901 103.799 24.1386 103.798 222.656 24.6345 24.1394 24.6339 -154.314 GPRESSURE: 1683200 -65.1723 -28.4054 -18.6249 137.032 164.761 29.5538 34.3701 35.7418 -98.677 PRESSAVG: 1683200 20.3794 19.9444 38.7484 19.9445 53.7939 -13.4466 38.7484 -13.4466 -27.8325 GPRESSAVG: 1683200 20.252 19.6685 36.5878 19.4519 52.3657 -11.7515 40.8671 -13.1615 -26.4442 TIMING: 1683200 CPU: 5025.84, 0.00299275/step Wall: 5025.84, 0.00299275/step, 2.75732 hours remaining, 207.226562 MB of memory in use. ENERGY: 1683200 728.0394 2121.7861 1924.5010 105.0372 -206031.0470 17650.8680 0.0000 0.0000 34271.1440 -149229.6714 299.2984 -183500.8154 -149137.0661 298.8376 -31.1864 0.3040 557743.2587 15.4469 15.3912 PRESSURE: 1683400 -81.4528 -66.0501 92.3935 -66.0494 123.702 -32.8212 92.3931 -32.8203 -212.365 GPRESSURE: 1683400 -49.5665 4.24375 64.8655 -17.566 156.664 -50.9995 169.774 -52.2649 -184.61 PRESSAVG: 1683400 46.8913 7.04533 25.4776 7.04542 35.5392 9.36825 25.4776 9.36823 -114.717 GPRESSAVG: 1683400 47.7577 8.04827 26.2246 7.50269 36.1337 8.29373 23.6586 9.56303 -116.288 TIMING: 1683400 CPU: 5026.44, 0.00302346/step Wall: 5026.44, 0.00302346/step, 2.78544 hours remaining, 207.226562 MB of memory in use. ENERGY: 1683400 730.5570 2118.1428 1904.1173 122.9527 -206030.3970 17758.3677 0.0000 0.0000 34161.8843 -149234.3752 298.3442 -183396.2595 -149133.1215 298.9636 -56.7054 -25.8373 557780.8931 -10.7622 -10.7988 PRESSURE: 1683600 3.44402 161.975 -46.9454 161.976 -26.1155 -30.7607 -46.9461 -30.7605 60.3565 GPRESSURE: 1683600 -16.1711 87.4911 -24.6493 184.059 39.7093 14.4393 -87.6519 -56.4834 104.663 PRESSAVG: 1683600 -29.5547 -34.0231 30.1824 -34.0231 2.41469 -36.3798 30.1824 -36.38 27.3322 GPRESSAVG: 1683600 -29.1952 -35.6212 29.571 -36.0537 2.59782 -35.3857 30.3168 -35.7774 27.088 TIMING: 1683600 CPU: 5027.04, 0.00297916/step Wall: 5027.04, 0.00297916/step, 2.74447 hours remaining, 207.226562 MB of memory in use. ENERGY: 1683600 775.8698 2152.8498 1902.8147 94.5987 -206268.5864 17812.0472 0.0000 0.0000 34317.6549 -149212.7514 299.7046 -183530.4062 -149115.6512 299.5680 12.5617 42.7337 557983.8049 0.0641 0.1635 PRESSURE: 1683800 39.9724 -45.5876 153.271 -45.5884 21.9044 53.0428 153.272 53.0427 -96.4513 GPRESSURE: 1683800 50.4777 -84.9028 31.5928 7.05789 109.681 47.3375 205.884 2.07198 -90.7082 PRESSAVG: 1683800 -33.4037 56.3363 -24.0291 56.3363 50.2148 -37.6125 -24.029 -37.6124 -5.48301 GPRESSAVG: 1683800 -32.9583 59.9707 -24.5105 57.4322 50.1626 -38.1416 -24.5308 -38.6417 -5.14516 TIMING: 1683800 CPU: 5027.64, 0.00300285/step Wall: 5027.64, 0.00300285/step, 2.76613 hours remaining, 207.226562 MB of memory in use. ENERGY: 1683800 768.2209 2068.9849 1911.4501 113.0289 -205678.5827 17567.5879 0.0000 0.0000 34141.1089 -149108.2011 298.1628 -183249.3100 -149014.0054 299.2835 -11.5248 23.1502 558125.7400 3.7761 4.0197 PRESSURE: 1684000 -286.011 -148.418 88.1496 -148.417 -284.44 -34.6913 88.1499 -34.6907 -257.417 GPRESSURE: 1684000 -189.973 -153.719 180.483 -160.879 -316.888 -74.7266 7.41988 -80.8927 -228.847 PRESSAVG: 1684000 -17.7031 15.5116 87.5409 15.5115 90.0166 15.1842 87.5409 15.1844 -55.4772 GPRESSAVG: 1684000 -17.6814 14.5716 87.9598 14.759 91.0576 15.3209 87.1854 15.3243 -56.1262 TIMING: 1684000 CPU: 5028.24, 0.00301661/step Wall: 5028.24, 0.00301661/step, 2.77863 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1684000 749.9958 2064.0053 1913.2263 116.0693 -205637.0293 17295.1670 0.0000 0.0000 34208.0549 -149290.5107 298.7475 -183498.5656 -149195.1745 299.6718 -275.9559 -245.2358 557796.2002 5.6121 5.7500 PRESSURE: 1684200 -105.254 -53.7789 26.672 -53.7785 6.50917 -165.83 26.6717 -165.828 93.8391 GPRESSURE: 1684200 -48.7235 59.2927 2.75076 -147.525 59.2859 -165.296 5.34042 -113.638 78.2753 PRESSAVG: 1684200 6.46898 -4.73238 34.148 -4.7324 -33.6638 -41.0612 34.148 -41.0611 -8.08699 GPRESSAVG: 1684200 5.30715 -4.15826 32.9952 -5.054 -33.959 -40.2979 37.016 -42.02 -7.64386 TIMING: 1684200 CPU: 5028.84, 0.002997/step Wall: 5028.84, 0.002997/step, 2.7604 hours remaining, 207.226562 MB of memory in use. ENERGY: 1684200 774.7820 2050.9051 1899.6619 106.1508 -206463.5551 17843.6797 0.0000 0.0000 34395.9538 -149392.4218 300.3884 -183788.3756 -149291.9539 299.1470 -1.6351 29.6126 556484.9559 -11.7606 -12.0986 LDB: ============= START OF LOAD BALANCING ============== 5032.4 LDB: ============== END OF LOAD BALANCING =============== 5032.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5032.4 LDB: ============= START OF LOAD BALANCING ============== 5032.7 LDB: Largest compute 4796 load 0.027526 is 23.3% of average load 0.118142 LDB: Average compute 0.001720 is 1.5% of average load 0.118142 LDB: TIME 5032.71 LOAD: AVG 0.118142 MAX 0.209506 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.766 MB LDB: TIME 5032.71 LOAD: AVG 0.118142 MAX 0.209506 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.801 MB LDB: TIME 5032.71 LOAD: AVG 0.118142 MAX 0.209506 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.801 MB LDB: ============== END OF LOAD BALANCING =============== 5032.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5032.71 PRESSURE: 1684400 239.637 95.4127 90.7105 95.4129 101.229 36.389 90.7099 36.3877 132.923 GPRESSURE: 1684400 299.532 25.0983 39.878 74.7353 145.251 46.0159 149.011 19.0916 129.988 PRESSAVG: 1684400 -3.14526 -29.4508 -47.3469 -29.4509 69.8461 -60.8604 -47.3469 -60.8604 -57.9765 GPRESSAVG: 1684400 -3.30132 -31.3059 -48.4926 -26.7055 69.9732 -63.1709 -49.9963 -60.9406 -58.0465 TIMING: 1684400 CPU: 5029.46, 0.00309441/step Wall: 5029.46, 0.00309441/step, 2.84995 hours remaining, 207.082031 MB of memory in use. ENERGY: 1684400 752.5144 2088.6067 1895.4262 108.4164 -206308.4643 18074.8910 0.0000 0.0000 33975.2840 -149413.3257 296.7146 -183388.6096 -149321.3614 298.0287 157.9297 191.5904 558085.0999 2.9081 2.8751 PRESSURE: 1684600 -19.7061 53.6904 147.88 53.6893 -42.7127 51.9189 147.88 51.9175 70.701 GPRESSURE: 1684600 20.6067 36.8545 217.77 77.6367 -34.6484 95.6859 106.75 67.063 110.849 PRESSAVG: 1684600 34.671 15.9796 13.9617 15.9795 22.5914 41.9764 13.9616 41.9764 -36.0081 GPRESSAVG: 1684600 35.1116 16.644 16.0758 15.8833 22.5572 43.9656 14.7681 43.4529 -36.0074 TIMING: 1684600 CPU: 5030.06, 0.00300392/step Wall: 5030.06, 0.00300392/step, 2.76644 hours remaining, 207.082031 MB of memory in use. ENERGY: 1684600 746.2899 2112.1029 1925.4552 123.2432 -206583.1086 18041.0140 0.0000 0.0000 34252.5854 -149382.4181 299.1363 -183635.0035 -149290.0697 299.4574 2.7607 32.2690 557115.4525 7.0848 7.2205 PRESSURE: 1684800 133.929 14.8433 -33.9523 14.8433 81.7493 68.7032 -33.9517 68.7042 -121.102 GPRESSURE: 1684800 125.332 23.3519 -57.254 -25.3084 125.252 91.8247 -75.8259 109.456 -64.0203 PRESSAVG: 1684800 -40.6485 34.5793 -0.490689 34.5794 -23.106 48.262 -0.490644 48.2619 53.7408 GPRESSAVG: 1684800 -39.1247 32.9542 0.0495266 35.3943 -24.6065 47.9263 -1.13779 48.2025 54.2432 TIMING: 1684800 CPU: 5030.67, 0.00301804/step Wall: 5030.67, 0.00301804/step, 2.77928 hours remaining, 207.082031 MB of memory in use. ENERGY: 1684800 740.1330 2118.1113 1924.0433 116.5606 -206583.2073 17848.5634 0.0000 0.0000 34440.1654 -149395.6303 300.7745 -183835.7957 -149303.0811 299.4024 31.5253 62.1880 555806.0895 -3.3379 -3.1626 PRESSURE: 1685000 -35.1458 123.931 48.6447 123.931 49.3487 26.4424 48.6457 26.4424 11.5495 GPRESSURE: 1685000 -11.6564 175.276 7.15486 23.9628 80.9681 17.822 -26.3714 21.6005 57.736 PRESSAVG: 1685000 -15.4485 19.2238 -16.3448 19.2238 41.2902 -16.3307 -16.3448 -16.3306 -45.2812 GPRESSAVG: 1685000 -17.3546 21.0726 -14.1223 15.1109 43.419 -17.69 -17.4297 -16.0595 -45.7809 TIMING: 1685000 CPU: 5031.27, 0.00300637/step Wall: 5031.27, 0.00300637/step, 2.76836 hours remaining, 207.082031 MB of memory in use. ENERGY: 1685000 746.8842 2119.6812 1914.5656 116.3368 -206254.4565 17815.5995 0.0000 0.0000 34207.2964 -149334.0929 298.7408 -183541.3892 -149238.1320 299.2283 8.5841 42.3492 555855.6634 -6.4799 -6.5722 PRESSURE: 1685200 444.169 -73.2096 -86.3898 -73.2087 211.392 48.4911 -86.3891 48.4899 65.6308 GPRESSURE: 1685200 444.604 -160.598 -37.6424 -48.7043 296.584 58.5351 -89.6999 6.89419 83.1596 PRESSAVG: 1685200 61.6791 63.7212 -28.075 63.7211 1.12091 15.3242 -28.075 15.3243 -19.7564 GPRESSAVG: 1685200 61.6896 62.7136 -31.7014 66.9525 1.28525 17.6028 -26.9863 14.3276 -19.6759 TIMING: 1685200 CPU: 5031.87, 0.00302589/step Wall: 5031.87, 0.00302589/step, 2.78617 hours remaining, 207.082031 MB of memory in use. ENERGY: 1685200 758.2503 2085.3763 1926.4642 109.0128 -206440.4379 18067.6951 0.0000 0.0000 34314.3411 -149179.2981 299.6757 -183493.6392 -149089.1775 299.2655 240.3973 274.7823 556276.0701 14.3479 14.4330 PRESSURE: 1685400 -7.79323 168.918 -228.688 168.917 -181.791 129.763 -228.688 129.763 -64.8861 GPRESSURE: 1685400 -13.4148 92.3089 -305.647 225.381 -98.1146 128.752 -214.023 156.083 -52.372 PRESSAVG: 1685400 -7.51208 35.0813 -39.5678 35.0812 54.4954 47.6307 -39.5679 47.6307 1.65613 GPRESSAVG: 1685400 -6.14088 35.6001 -37.4693 33.5113 53.7078 48.4587 -40.7965 45.3181 0.662982 TIMING: 1685400 CPU: 5032.47, 0.0029797/step Wall: 5032.47, 0.0029797/step, 2.74347 hours remaining, 207.082031 MB of memory in use. ENERGY: 1685400 740.0903 2084.9693 1920.4041 113.6348 -206023.9557 17779.9885 0.0000 0.0000 34163.5723 -149221.2964 298.3590 -183384.8687 -149117.9464 299.1667 -84.8236 -54.6338 557028.4902 16.2132 16.0766 PRESSURE: 1685600 -443.052 49.7078 -21.9746 49.7069 -241.653 42.6654 -21.9746 42.6657 -172.646 GPRESSURE: 1685600 -380.208 70.5195 -14.8462 1.02163 -238.998 12.9667 -31.3317 39.5151 -140.802 PRESSAVG: 1685600 -66.0629 35.3347 -42.3536 35.3348 3.67007 82.3577 -42.3536 82.3576 47.2485 GPRESSAVG: 1685600 -66.2989 35.9747 -43.3798 36.911 3.16689 81.563 -40.1315 84.9407 47.9142 TIMING: 1685600 CPU: 5033.07, 0.00299959/step Wall: 5033.07, 0.00299959/step, 2.76163 hours remaining, 207.082031 MB of memory in use. ENERGY: 1685600 757.0225 2115.7398 1919.2585 123.2886 -205597.3007 17253.1805 0.0000 0.0000 34042.5344 -149386.2764 297.3019 -183428.8108 -149284.7619 297.8268 -285.7840 -253.3361 556896.7798 -5.0481 -5.0726 PRESSURE: 1685800 -12.5044 37.6774 -152.166 37.6779 -116.268 -51.8868 -152.166 -51.8879 66.0602 GPRESSURE: 1685800 -8.76087 32.617 -191.138 52.5142 -70.2287 29.5562 -130.268 -47.9768 125.321 PRESSAVG: 1685800 -9.13002 -15.7176 -16.956 -15.7176 -29.288 3.53601 -16.956 3.53601 -36.6046 GPRESSAVG: 1685800 -8.36266 -15.9534 -13.2562 -16.4623 -30.2578 2.40226 -20.6981 3.28819 -35.9069 TIMING: 1685800 CPU: 5033.67, 0.00301346/step Wall: 5033.67, 0.00301346/step, 2.77422 hours remaining, 207.082031 MB of memory in use. ENERGY: 1685800 752.7763 2101.7664 1919.5261 121.8878 -206203.5707 17648.1589 0.0000 0.0000 34172.7807 -149486.6747 298.4394 -183659.4553 -149386.7812 298.5656 -20.9042 15.4437 556241.5589 -25.0075 -24.8424 PRESSURE: 1686000 5.70073 119.907 16.2823 119.907 52.3655 -10.9802 16.2819 -10.9802 -1.38434 GPRESSURE: 1686000 80.3136 178.636 28.7691 104.689 82.9763 4.55987 -10.2742 -45.5328 -7.59522 PRESSAVG: 1686000 39.7546 0.0715287 -16.4025 0.0715681 19.8799 30.5557 -16.4025 30.5558 -102.161 GPRESSAVG: 1686000 39.2923 0.377755 -19.1002 0.609125 20.5419 29.3568 -15.2215 32.0351 -102.652 TIMING: 1686000 CPU: 5034.28, 0.00302337/step Wall: 5034.28, 0.00302337/step, 2.78318 hours remaining, 207.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1686000 757.5314 2038.2874 1932.9132 115.0432 -206086.5188 17757.8824 0.0000 0.0000 34196.6491 -149288.2119 298.6478 -183484.8610 -149199.6317 298.7844 18.8940 51.8982 557827.4141 -14.1755 -14.2726 PRESSURE: 1686200 -68.905 67.8186 120.749 67.8201 -11.7628 -81.524 120.751 -81.5243 325.704 GPRESSURE: 1686200 7.13135 123.6 38.8368 70.0845 -22.5519 -3.93176 197.977 -104.328 360.148 PRESSAVG: 1686200 29.2475 26.2349 1.57892 26.2349 -43.3957 38.0133 1.57889 38.0132 34.0095 GPRESSAVG: 1686200 29.0837 26.3622 2.16291 25.3157 -42.3354 41.562 2.94259 36.0582 33.1127 TIMING: 1686200 CPU: 5034.88, 0.00299489/step Wall: 5034.88, 0.00299489/step, 2.75679 hours remaining, 207.082031 MB of memory in use. ENERGY: 1686200 758.6144 2042.7015 1933.6973 119.8204 -206385.2653 17917.7213 0.0000 0.0000 34398.9351 -149213.7754 300.4145 -183612.7105 -149109.2989 299.4125 81.6786 114.9090 556252.3390 6.6204 6.6204 PRESSURE: 1686400 -92.5809 87.6352 115.06 87.6358 -113.505 21.8401 115.06 21.8415 -209.802 GPRESSURE: 1686400 -77.321 126.829 52.1443 78.2444 -88.2056 1.3652 59.1205 -2.78444 -149.988 PRESSAVG: 1686400 -7.64695 -7.60799 -3.56871 -7.60802 -57.1182 -18.7403 -3.56871 -18.7404 24.3559 GPRESSAVG: 1686400 -7.92598 -6.71215 -5.25025 -8.29222 -56.8241 -19.6983 -3.75081 -18.3273 24.386 TIMING: 1686400 CPU: 5035.48, 0.00301982/step Wall: 5035.48, 0.00301982/step, 2.77958 hours remaining, 207.082031 MB of memory in use. ENERGY: 1686400 737.1234 2192.8249 1927.1376 103.4387 -206112.2476 17653.1507 0.0000 0.0000 34323.9971 -149174.5752 299.7600 -183498.5723 -149071.1063 299.3729 -138.6292 -105.1715 558849.9456 -13.4698 -13.4547 PRESSURE: 1686600 -288.911 -63.2767 3.56168 -63.2765 -207.687 53.653 3.56012 53.6538 116.177 GPRESSURE: 1686600 -243.807 -69.0158 42.865 -17.795 -157.221 47.0499 28.3095 -50.2062 121.13 PRESSAVG: 1686600 -26.596 -16.191 -21.1715 -16.1909 -1.82688 16.3958 -21.1715 16.3958 -6.60612 GPRESSAVG: 1686600 -26.8953 -19.2242 -20.6977 -13.7974 -1.45037 14.7703 -21.3729 17.1696 -6.87493 TIMING: 1686600 CPU: 5036.09, 0.00303517/step Wall: 5036.09, 0.00303517/step, 2.79354 hours remaining, 207.082031 MB of memory in use. ENERGY: 1686600 750.9854 2109.9889 1880.8760 129.5017 -206023.0300 17620.4839 0.0000 0.0000 34331.2386 -149199.9555 299.8232 -183531.1941 -149101.8029 299.5990 -126.8071 -93.2993 557615.9946 -11.6763 -11.7402 PRESSURE: 1686800 69.6792 -117.551 -121.735 -117.55 -213.915 49.7222 -121.735 49.7212 -126.553 GPRESSURE: 1686800 88.8795 -203.838 -190.439 -102.253 -125.274 35.271 -72.1041 148.947 -135.883 PRESSAVG: 1686800 37.6775 -20.8557 4.85315 -20.8557 -37.2581 18.7861 4.8532 18.7862 2.63033 GPRESSAVG: 1686800 38.2399 -19.5368 7.38236 -23.6121 -37.5115 21.386 4.15971 18.7143 2.73919 TIMING: 1686800 CPU: 5036.69, 0.00299692/step Wall: 5036.69, 0.00299692/step, 2.75816 hours remaining, 207.082031 MB of memory in use. ENERGY: 1686800 751.7842 2150.9356 1916.4362 113.5720 -206308.2863 17637.6682 0.0000 0.0000 34400.7127 -149337.1773 300.4300 -183737.8900 -149230.3834 299.8255 -90.2628 -57.4260 556658.0398 1.0166 1.1559 PRESSURE: 1687000 -52.0793 -197.19 -107.946 -197.189 -446.165 -155.134 -107.947 -155.136 -309.425 GPRESSURE: 1687000 -52.1264 -170.169 -143.968 -280.971 -423.842 -156.706 16.1542 -91.1422 -250.975 PRESSAVG: 1687000 0.414338 -3.06256 -33.7174 -3.06259 -22.7673 -31.1656 -33.7173 -31.1656 22.6455 GPRESSAVG: 1687000 0.766197 -3.73292 -36.0242 -2.1431 -23.742 -31.5125 -33.8471 -31.5897 23.7603 TIMING: 1687000 CPU: 5037.29, 0.00299709/step Wall: 5037.29, 0.00299709/step, 2.75815 hours remaining, 207.082031 MB of memory in use. ENERGY: 1687000 794.9916 2147.9265 1931.6664 115.2407 -206066.0407 17559.1438 0.0000 0.0000 34155.7878 -149361.2840 298.2910 -183517.0717 -149273.2147 299.0968 -269.2233 -242.3143 557446.1673 0.0975 0.2615 PRESSURE: 1687200 -201.868 204.108 72.7213 204.108 -340.772 -47.1604 72.72 -47.1612 8.38106 GPRESSURE: 1687200 -85.2535 157.503 108.147 181.466 -353.206 -21.2541 50.4278 -33.0697 -1.49381 PRESSAVG: 1687200 50.2847 4.60095 17.925 4.60097 -47.6142 -14.1403 17.9249 -14.1404 72.238 GPRESSAVG: 1687200 50.7903 4.49746 19.342 4.93753 -46.4348 -16.2675 17.5711 -13.8895 70.0354 TIMING: 1687200 CPU: 5037.89, 0.00301571/step Wall: 5037.89, 0.00301571/step, 2.77513 hours remaining, 207.082031 MB of memory in use. ENERGY: 1687200 785.2630 2037.7523 1909.8884 114.9997 -206107.4244 17544.6158 0.0000 0.0000 34323.4425 -149391.4627 299.7552 -183714.9052 -149294.8305 299.1784 -178.0863 -146.6511 558408.1572 24.9695 24.7970 PRESSURE: 1687400 103.071 125.167 -75.2184 125.166 178.089 131.446 -75.219 131.447 191.129 GPRESSURE: 1687400 167.017 83.0855 -7.18989 111.277 186.802 127.333 -82.0093 186.843 214.877 PRESSAVG: 1687400 -9.76128 52.1807 28.7454 52.1806 -3.32696 24.3966 28.7454 24.3965 26.3781 GPRESSAVG: 1687400 -10.0476 50.9616 28.0295 51.7507 -3.8368 25.9677 29.8205 24.41 27.5366 TIMING: 1687400 CPU: 5038.5, 0.00303187/step Wall: 5038.5, 0.00303187/step, 2.78983 hours remaining, 207.082031 MB of memory in use. ENERGY: 1687400 727.4506 2084.2657 1902.6618 111.4461 -206562.8389 18103.3756 0.0000 0.0000 34200.1525 -149433.4865 298.6784 -183633.6390 -149327.9715 299.2058 157.4296 189.5653 557000.4178 4.4300 4.5507 PRESSURE: 1687600 -271.07 -15.5145 -85.0002 -15.5146 3.46422 -41.0548 -85.0013 -41.0549 -303.78 GPRESSURE: 1687600 -258.16 11.6141 -117.001 -18.3947 22.9097 -46.2057 -22.2729 -65.8783 -222.951 PRESSAVG: 1687600 16.2682 38.4637 52.2812 38.4637 20.0236 -7.85706 52.2813 -7.85705 12.7556 GPRESSAVG: 1687600 17.034 40.2269 52.3816 38.6312 19.6646 -10.7424 53.8538 -8.08904 13.2259 TIMING: 1687600 CPU: 5039.09, 0.0029984/step Wall: 5039.09, 0.0029984/step, 2.75886 hours remaining, 207.082031 MB of memory in use. ENERGY: 1687600 766.1668 2081.3249 1907.7127 111.9928 -206108.0070 17676.3384 0.0000 0.0000 34178.4142 -149386.0572 298.4886 -183564.4714 -149282.5131 298.9080 -190.4620 -152.7338 557822.1799 16.3491 16.6415 PRESSURE: 1687800 -330.346 165.539 40.8809 165.539 -234.62 -145.116 40.882 -145.117 -236.231 GPRESSURE: 1687800 -283.257 184.945 24.0661 161.641 -187.857 -107.559 25.0349 -197.068 -215.809 PRESSAVG: 1687800 29.711 43.8067 30.6103 43.8066 -35.2218 -17.3223 30.6103 -17.3222 14.4211 GPRESSAVG: 1687800 29.7279 43.6209 31.498 42.2959 -36.1391 -13.3783 29.3664 -17.2604 15.1803 TIMING: 1687800 CPU: 5039.69, 0.00299382/step Wall: 5039.69, 0.00299382/step, 2.75448 hours remaining, 207.082031 MB of memory in use. ENERGY: 1687800 752.7726 2102.4553 1907.9141 123.9757 -206033.5577 17433.5760 0.0000 0.0000 34299.3706 -149413.4933 299.5449 -183712.8639 -149317.9796 298.9415 -267.0655 -228.9744 558410.5314 2.9701 2.9230 PRESSURE: 1688000 -302.324 92.7989 72.1479 92.7983 -10.8505 18.4386 72.1476 18.4409 71.4348 GPRESSURE: 1688000 -254.213 76.777 118.83 79.4059 15.2661 -23.9913 124.943 40.5966 97.7101 PRESSAVG: 1688000 7.72484 20.036 26.3205 20.036 -17.462 26.0579 26.3205 26.0578 39.7428 GPRESSAVG: 1688000 6.98417 20.8799 27.5953 20.6737 -17.7964 22.2013 26.0985 26.0124 41.2792 TIMING: 1688000 CPU: 5040.29, 0.00299262/step Wall: 5040.29, 0.00299262/step, 2.75321 hours remaining, 207.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1688000 779.2871 2069.7294 1918.7134 104.8548 -206512.5761 17774.2331 0.0000 0.0000 34412.3865 -149453.3718 300.5319 -183865.7582 -149354.1298 299.1085 -80.5799 -47.0788 557779.3567 10.0019 10.1556 PRESSURE: 1688200 246.563 -92.298 -85.664 -92.2974 159.543 5.45065 -85.6633 5.44871 91.7794 GPRESSURE: 1688200 308.851 10.7564 -65.5089 -124.706 138.084 -70.6308 -121.862 -2.78391 141.113 PRESSAVG: 1688200 36.4721 -59.801 -45.7982 -59.801 5.17838 -46.4229 -45.7981 -46.4228 51.4589 GPRESSAVG: 1688200 37.1259 -61.3755 -47.1579 -59.7735 6.0589 -47.2413 -46.464 -45.1495 50.259 TIMING: 1688200 CPU: 5040.89, 0.00298469/step Wall: 5040.89, 0.00298469/step, 2.74575 hours remaining, 207.082031 MB of memory in use. ENERGY: 1688200 727.0408 2086.4660 1948.2334 111.8699 -206429.9164 17868.4598 0.0000 0.0000 34178.4835 -149509.3630 298.4892 -183687.8465 -149410.3948 298.7557 165.9618 196.0159 555981.9388 31.0365 31.1479 LDB: ============= START OF LOAD BALANCING ============== 5044.44 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5044.44 LDB: =============== DONE WITH MIGRATION ================ 5044.44 LDB: ============= START OF LOAD BALANCING ============== 5044.74 LDB: Largest compute 4796 load 0.026920 is 22.8% of average load 0.118259 LDB: Average compute 0.001720 is 1.5% of average load 0.118259 LDB: TIME 5044.74 LOAD: AVG 0.118259 MAX 0.210881 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.801 MB LDB: TIME 5044.74 LOAD: AVG 0.118259 MAX 0.210881 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.844 MB LDB: TIME 5044.74 LOAD: AVG 0.118259 MAX 0.210881 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.844 MB LDB: ============== END OF LOAD BALANCING =============== 5044.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5044.75 PRESSURE: 1688400 -119.468 96.677 -108.818 96.676 105.92 -47.5279 -108.82 -47.5291 41.7951 GPRESSURE: 1688400 -109.522 133.065 -137.315 64.0096 154.246 -47.5438 -102.007 20.6272 79.4517 PRESSAVG: 1688400 -35.8664 -38.432 -16.9534 -38.4321 56.7411 3.40507 -16.9535 3.40511 -20.1319 GPRESSAVG: 1688400 -36.9563 -37.0273 -18.2773 -38.8152 57.5886 6.71736 -15.618 2.35663 -19.7088 TIMING: 1688400 CPU: 5041.5, 0.00304536/step Wall: 5041.5, 0.00304536/step, 2.80139 hours remaining, 207.593750 MB of memory in use. ENERGY: 1688400 742.1379 2092.8442 1951.1712 104.6346 -206275.6785 17863.4881 0.0000 0.0000 34197.3341 -149324.0685 298.6538 -183521.4026 -149235.6925 299.0700 9.4159 41.3919 557289.7582 0.2476 0.3078 PRESSURE: 1688600 339.815 -98.0611 -17.1163 -98.0594 233.18 19.4945 -17.1153 19.4944 -82.0733 GPRESSURE: 1688600 320.739 -64.7606 -51.5245 -101.55 273.947 179.488 52.4924 -24.6877 2.49258 PRESSAVG: 1688600 -2.43208 -11.7759 -40.1686 -11.776 -3.38119 -23.4833 -40.1685 -23.4832 44.0244 GPRESSAVG: 1688600 -1.6428 -11.2608 -40.9565 -13.8666 -2.88309 -22.7547 -38.6386 -24.2421 42.8313 TIMING: 1688600 CPU: 5042.09, 0.00297696/step Wall: 5042.09, 0.00297695/step, 2.7383 hours remaining, 207.593750 MB of memory in use. ENERGY: 1688600 790.9112 2059.0884 1923.7558 113.2696 -207168.4696 18515.4534 0.0000 0.0000 34324.7373 -149441.2539 299.7665 -183765.9912 -149352.6982 299.2229 163.6406 199.0593 556972.7919 12.7370 12.7685 PRESSURE: 1688800 -14.0491 -127.684 56.1459 -127.684 7.39047 -87.6167 56.1465 -87.6159 -113.378 GPRESSURE: 1688800 43.2939 -136.519 55.1167 -187.536 56.2658 -109.551 -83.0982 -95.9149 -117.161 PRESSAVG: 1688800 37.4648 2.63532 -52.5292 2.63532 -1.08185 -13.907 -52.5292 -13.9069 -17.5983 GPRESSAVG: 1688800 38.0339 1.7591 -53.5937 4.64143 -2.23499 -16.6932 -54.4184 -13.2308 -16.867 TIMING: 1688800 CPU: 5042.69, 0.00298655/step Wall: 5042.69, 0.00298655/step, 2.74696 hours remaining, 207.593750 MB of memory in use. ENERGY: 1688800 734.1653 2029.7177 1928.3040 111.4371 -206282.9600 17740.6528 0.0000 0.0000 34379.8397 -149358.8434 300.2477 -183738.6832 -149261.1932 299.1791 -40.0123 -5.8671 557155.6528 6.2616 6.3106 PRESSURE: 1689000 28.8701 -145.453 7.5973 -145.453 218.478 -250.713 7.59745 -250.713 -156.228 GPRESSURE: 1689000 -22.2399 -114.452 37.3951 -182.641 248.528 -203.799 -34.8736 -227.684 -42.4898 PRESSAVG: 1689000 -26.604 -39.034 -24.2807 -39.0341 -0.74276 14.1112 -24.2807 14.1112 -12.5178 GPRESSAVG: 1689000 -27.2582 -38.5053 -22.6024 -38.9768 -0.468063 17.4415 -23.9386 13.0586 -11.1453 TIMING: 1689000 CPU: 5043.29, 0.00300742/step Wall: 5043.29, 0.00300742/step, 2.76599 hours remaining, 207.593750 MB of memory in use. ENERGY: 1689000 728.6235 2106.0253 1919.2765 116.5325 -206260.7035 17832.9434 0.0000 0.0000 34258.0954 -149299.2069 299.1845 -183557.3023 -149198.0735 299.8451 30.3734 61.2662 557278.6955 -13.2882 -12.9572 PRESSURE: 1689200 -14.4108 -44.7092 -62.9248 -44.7098 -133.423 -62.1745 -62.9247 -62.1749 -5.16678 GPRESSURE: 1689200 65.2377 0.564813 -161.849 -79.0493 -110.083 -79.2923 54.69 35.75 -15.0182 PRESSAVG: 1689200 41.9724 -50.0168 -13.4928 -50.0169 10.3668 0.525448 -13.4927 0.525409 -41.2916 GPRESSAVG: 1689200 42.97 -50.6204 -14.3962 -50.78 10.8437 -0.773763 -12.7759 0.0114609 -43.0596 TIMING: 1689200 CPU: 5043.89, 0.00298999/step Wall: 5043.89, 0.00298999/step, 2.74979 hours remaining, 207.593750 MB of memory in use. ENERGY: 1689200 750.2703 2114.9635 1949.5105 120.2244 -206037.9960 17799.8798 0.0000 0.0000 34228.1277 -149075.0197 298.9228 -183303.1475 -148974.2525 299.2794 -51.0003 -19.9545 558790.3009 3.6825 3.5847 PRESSURE: 1689400 -130.656 178.872 -89.4383 178.874 -86.8212 5.50465 -89.4377 5.50468 21.5244 GPRESSURE: 1689400 -69.5711 206.672 -68.8715 114.258 -74.8888 -30.4352 -206.064 10.3755 34.9821 PRESSAVG: 1689400 -4.80802 34.9877 -36.2649 34.9877 41.57 -85.4136 -36.2649 -85.4134 2.74094 GPRESSAVG: 1689400 -4.89573 34.9371 -33.4708 36.1148 40.527 -88.2721 -39.9208 -83.312 4.10075 TIMING: 1689400 CPU: 5044.49, 0.00299305/step Wall: 5044.49, 0.00299305/step, 2.75244 hours remaining, 207.593750 MB of memory in use. ENERGY: 1689400 801.6734 2144.5081 1923.5063 110.2087 -206855.6003 18041.3204 0.0000 0.0000 34672.7231 -149161.6603 302.8055 -183834.3834 -149063.8293 299.9026 -65.3175 -36.4926 557802.8398 13.1676 13.2440 PRESSURE: 1689600 -221.137 -55.1724 185.866 -55.1726 89.5362 -136.149 185.867 -136.149 -107.989 GPRESSURE: 1689600 -198.032 14.5673 229.085 -50.2846 98.7599 -130.681 92.8295 -139.077 -49.463 PRESSAVG: 1689600 -55.5158 30.8183 -2.28926 30.8182 33.7434 -25.9852 -2.28929 -25.9852 58.9933 GPRESSAVG: 1689600 -55.8602 31.985 -2.84663 29.726 34.7304 -23.9116 -0.649074 -25.7618 59.172 TIMING: 1689600 CPU: 5045.08, 0.00297699/step Wall: 5045.08, 0.00297699/step, 2.73751 hours remaining, 207.593750 MB of memory in use. ENERGY: 1689600 731.3277 2057.0079 1938.6196 124.4716 -205839.3594 17686.9685 0.0000 0.0000 34292.4234 -149008.5408 299.4843 -183300.9642 -148912.5288 300.2309 -79.8631 -49.5785 559499.8004 12.4070 12.6808 PRESSURE: 1689800 -437.166 -129.451 -49.3484 -129.452 -59.3055 -178.117 -49.3486 -178.117 -17.1435 GPRESSURE: 1689800 -357.72 -183.602 -46.5616 -119.348 -64.2208 -128.622 9.48723 -123.027 0.474652 PRESSAVG: 1689800 28.8031 7.63266 -32.7576 7.63261 -44.8631 -38.2588 -32.7577 -38.2588 21.1438 GPRESSAVG: 1689800 29.1122 7.80415 -33.4328 7.05937 -45.1512 -40.2462 -32.3724 -39.2897 20.555 TIMING: 1689800 CPU: 5045.68, 0.00298643/step Wall: 5045.68, 0.00298643/step, 2.74602 hours remaining, 207.593750 MB of memory in use. ENERGY: 1689800 735.8519 2076.6126 1933.7179 113.8667 -205810.2506 17619.0659 0.0000 0.0000 34386.9783 -148944.1573 300.3100 -183331.1356 -148853.5932 300.1607 -171.2049 -140.4888 557825.2507 1.6946 1.5053 PRESSURE: 1690000 -226.354 -143.58 -90.6517 -143.579 163.166 -54.3758 -90.6536 -54.377 -101.318 GPRESSURE: 1690000 -152.021 -208.675 -36.1082 -134.349 162.525 -12.9975 -66.3592 -84.851 -75.2592 PRESSAVG: 1690000 -61.2228 4.15747 -45.7794 4.15736 51.2764 12.4214 -45.7794 12.4213 11.4313 GPRESSAVG: 1690000 -58.4407 2.43855 -46.1161 3.2834 50.1251 13.8575 -46.412 11.6588 10.9351 TIMING: 1690000 CPU: 5046.28, 0.00296801/step Wall: 5046.28, 0.00296801/step, 2.72892 hours remaining, 207.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1690000 735.1646 2114.6577 1912.7176 113.2830 -206181.1806 17801.4355 0.0000 0.0000 34530.7421 -148973.1801 301.5656 -183503.9222 -148875.0262 300.5286 -54.8352 -21.5852 557199.8706 0.4950 0.8731 PRESSURE: 1690200 277.044 10.5819 -104.832 10.5817 -151.433 6.58417 -104.831 6.58475 106.897 GPRESSURE: 1690200 281.323 -33.8381 -13.5678 -55.3359 -54.8313 -9.13211 -109.372 71.0123 98.3707 PRESSAVG: 1690200 -41.5024 15.1289 14.1138 15.1289 20.1583 -16.3041 14.1139 -16.3042 -5.02758 GPRESSAVG: 1690200 -42.6993 14.3725 13.0762 18.9756 21.3421 -16.8317 17.1464 -13.3313 -5.48825 TIMING: 1690200 CPU: 5046.87, 0.00295606/step Wall: 5046.87, 0.00295606/step, 2.71777 hours remaining, 207.593750 MB of memory in use. ENERGY: 1690200 702.0730 2123.8943 1919.6288 126.8932 -206309.5826 17884.4655 0.0000 0.0000 34491.4956 -149061.1323 301.2228 -183552.6279 -148961.8616 300.1967 77.5027 108.2875 557000.0016 -8.7906 -8.9485 PRESSURE: 1690400 150.769 16.1153 -36.6677 16.1146 42.8894 68.9239 -36.6677 68.9243 -68.884 GPRESSURE: 1690400 208.207 -23.5917 -107.427 19.7163 57.0288 57.8601 -15.2748 72.9601 -40.0892 PRESSAVG: 1690400 -28.0653 0.252731 -19.1687 0.252762 61.6034 50.6295 -19.1687 50.6295 -72.4417 GPRESSAVG: 1690400 -28.3587 0.737592 -18.5409 0.641482 60.9707 50.5281 -22.3156 48.7958 -71.7608 TIMING: 1690400 CPU: 5047.46, 0.00295622/step Wall: 5047.46, 0.00295622/step, 2.71775 hours remaining, 207.593750 MB of memory in use. ENERGY: 1690400 743.9221 2152.1529 1911.7409 112.3330 -206432.8035 17982.2064 0.0000 0.0000 34390.6563 -149139.7919 300.3422 -183530.4482 -149048.0757 299.8411 41.5915 75.0488 556331.9553 -12.9679 -13.0496 PRESSURE: 1690600 -314.264 104.076 -124.988 104.076 190.548 -75.0384 -124.989 -75.0378 22.4228 GPRESSURE: 1690600 -301.665 59.6615 -102.917 106.943 218.866 -72.4545 -62.2935 -33.9343 61.629 PRESSAVG: 1690600 4.58296 26.9893 23.6941 26.9893 39.2519 -72.8029 23.6941 -72.8031 -55.7627 GPRESSAVG: 1690600 3.39627 27.2175 24.045 24.4325 39.9466 -72.0589 24.95 -74.1508 -55.7281 TIMING: 1690600 CPU: 5048.05, 0.00297328/step Wall: 5048.05, 0.00297328/step, 2.73327 hours remaining, 207.593750 MB of memory in use. ENERGY: 1690600 736.6555 2116.1288 1936.3321 113.9369 -206068.3137 17667.0496 0.0000 0.0000 34323.8392 -149174.3715 299.7586 -183498.2107 -149080.3460 300.2194 -33.7645 -7.0565 556924.8094 -3.9759 -4.1284 PRESSURE: 1690800 -77.9075 134.889 43.7313 134.889 -139.741 19.2599 43.7303 19.26 -20.2207 GPRESSURE: 1690800 -71.9289 141.279 85.689 82.0795 -111.551 4.96278 62.7174 134.811 41.8614 PRESSAVG: 1690800 28.7062 62.1257 -23.9773 62.1257 -56.8705 -5.56223 -23.9774 -5.56221 17.6125 GPRESSAVG: 1690800 28.9906 61.2473 -22.4482 61.3826 -57.9862 -4.46881 -26.2647 -4.8128 18.3998 TIMING: 1690800 CPU: 5048.65, 0.00298483/step Wall: 5048.65, 0.00298483/step, 2.74373 hours remaining, 207.593750 MB of memory in use. ENERGY: 1690800 734.0154 2093.7310 1935.6810 114.6886 -205997.3873 17596.2095 0.0000 0.0000 34424.1708 -149098.8910 300.6348 -183523.0617 -148999.6093 299.8401 -79.2896 -47.2060 556835.1528 -3.5173 -3.5319 PRESSURE: 1691000 -42.4531 150.793 276.223 150.792 -122.225 -70.9476 276.224 -70.9465 -85.6401 GPRESSURE: 1691000 15.9128 81.9919 238.275 179.676 -116.932 -101.603 263.855 -60.5433 -45.5093 PRESSAVG: 1691000 43.5932 -1.73134 37.6753 -1.73126 -82.0122 -16.9211 37.6753 -16.9212 16.0717 GPRESSAVG: 1691000 43.807 -0.440845 35.3754 -1.00657 -81.3097 -18.1528 40.8532 -18.4873 15.8498 TIMING: 1691000 CPU: 5049.24, 0.00297903/step Wall: 5049.24, 0.00297903/step, 2.73823 hours remaining, 207.593750 MB of memory in use. ENERGY: 1691000 730.3625 2166.8698 1953.7933 119.8201 -205840.9281 17599.0871 0.0000 0.0000 34293.3088 -148977.6866 299.4920 -183270.9954 -148881.7954 300.0217 -83.4394 -48.8428 556947.2551 -7.4491 -7.2176 PRESSURE: 1691200 -2.03819 -16.0745 -16.5108 -16.0754 50.5911 -45.0883 -16.5105 -45.0879 199.662 GPRESSURE: 1691200 42.139 -2.96132 20.0253 -3.80114 92.8528 -44.807 -44.4815 -72.0419 218.638 PRESSAVG: 1691200 27.0087 31.3295 61.0671 31.3294 -40.8441 -10.2267 61.067 -10.2267 11.8972 GPRESSAVG: 1691200 26.5494 29.5117 64.6898 33.89 -40.1271 -11.8268 59.5957 -8.62514 11.4217 TIMING: 1691200 CPU: 5049.84, 0.00297189/step Wall: 5049.84, 0.00297189/step, 2.7315 hours remaining, 207.593750 MB of memory in use. ENERGY: 1691200 681.1402 2082.9368 1924.1215 111.3913 -205840.0953 17648.7578 0.0000 0.0000 34290.9253 -149100.8223 299.4712 -183391.7477 -149002.7689 299.5324 82.7382 117.8767 555902.0359 -0.6460 -0.7187 PRESSURE: 1691400 84.7142 15.6168 150.339 15.6162 -130.618 90.3065 150.339 90.3049 -59.9218 GPRESSURE: 1691400 109.345 -41.3978 257.248 47.4827 -106.793 132.989 102.657 36.0772 -17.0193 PRESSAVG: 1691400 95.7539 -10.3012 -4.84816 -10.3013 -62.7597 -43.9197 -4.84817 -43.9197 -28.1484 GPRESSAVG: 1691400 96.2405 -8.26886 -6.8286 -10.7342 -63.8988 -42.9101 -2.8353 -44.2174 -27.7987 TIMING: 1691400 CPU: 5050.44, 0.00298238/step Wall: 5050.44, 0.00298238/step, 2.74097 hours remaining, 207.593750 MB of memory in use. ENERGY: 1691400 735.4114 2059.9273 1937.8239 122.5734 -205718.5597 17561.4413 0.0000 0.0000 34406.8324 -148894.5501 300.4834 -183301.3825 -148800.9884 299.3603 -35.2752 -4.8224 557307.7692 1.6153 1.5144 PRESSURE: 1691600 53.0768 129.351 76.4109 129.351 209.673 -57.4799 76.4111 -57.4782 -107.015 GPRESSURE: 1691600 112.273 128.155 12.8901 100.999 244.923 -47.4246 106.516 7.77149 -110.786 PRESSAVG: 1691600 7.58652 29.8621 32.4162 29.8621 -12.361 -5.31143 32.4162 -5.31142 11.1742 GPRESSAVG: 1691600 6.2876 28.6503 33.9647 28.5378 -10.2317 -6.02058 31.2617 -4.55251 10.2289 TIMING: 1691600 CPU: 5051.03, 0.00298218/step Wall: 5051.03, 0.00298218/step, 2.74062 hours remaining, 207.593750 MB of memory in use. ENERGY: 1691600 737.3302 2086.4197 1918.7966 102.0362 -205901.1212 17640.5324 0.0000 0.0000 34475.0353 -148940.9708 301.0791 -183416.0062 -148846.0219 300.2236 51.9115 82.1364 556637.3539 2.1332 2.0949 PRESSURE: 1691800 -154.997 72.3013 -73.1835 72.3029 -112.634 143.292 -73.1836 143.291 -375.17 GPRESSURE: 1691800 -121.594 99.7454 -24.9264 147.304 -126.538 86.4719 -179.659 201.695 -303.651 PRESSAVG: 1691800 45.8469 68.7913 50.3489 68.7913 4.78374 12.0517 50.3489 12.0517 -58.4917 GPRESSAVG: 1691800 46.9711 69.2944 49.5922 69.6874 2.23608 13.3646 50.0156 10.9879 -57.0872 TIMING: 1691800 CPU: 5051.64, 0.00302818/step Wall: 5051.64, 0.00302818/step, 2.78273 hours remaining, 207.593750 MB of memory in use. ENERGY: 1691800 716.5711 2098.6743 1929.9246 105.9644 -205378.5015 17315.0611 0.0000 0.0000 34238.7236 -148973.5825 299.0153 -183212.3061 -148874.5474 299.5593 -214.2671 -183.9276 556824.8252 -2.6203 -2.6267 PRESSURE: 1692000 -285.216 68.3001 5.14263 68.3012 -155.976 99.8695 5.1427 99.8703 -115.895 GPRESSURE: 1692000 -279.55 165.426 -65.7409 -36.009 -133.594 51.6784 -10.1721 167.025 -50.3457 PRESSAVG: 1692000 14.0835 -7.42858 -40.3742 -7.42859 -64.0474 -26.414 -40.3741 -26.414 20.788 GPRESSAVG: 1692000 12.9235 -7.08212 -41.5325 -9.11721 -62.3465 -25.8064 -40.5014 -24.7242 20.5164 TIMING: 1692000 CPU: 5052.24, 0.00301368/step Wall: 5052.24, 0.00301367/step, 2.76923 hours remaining, 207.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1692000 765.9616 2082.2630 1934.0079 107.1295 -205821.7861 17580.7507 0.0000 0.0000 34222.2250 -149129.4484 298.8712 -183351.6733 -149036.4065 299.4113 -185.6957 -154.4968 558329.8723 -9.7253 -9.6355 PRESSURE: 1692200 82.4455 46.6974 -42.3136 46.6991 -294.943 -98.7522 -42.3141 -98.7542 54.3369 GPRESSURE: 1692200 151.252 -52.5524 -61.926 128.769 -287.992 -36.8214 -28.1001 -205.763 83.0371 PRESSAVG: 1692200 42.4248 -2.96491 32.8211 -2.96496 17.802 3.75831 32.8212 3.75833 -47.1089 GPRESSAVG: 1692200 44.0674 -3.84967 32.7155 -3.28166 16.2036 1.26725 33.236 3.68363 -47.3167 TIMING: 1692200 CPU: 5052.84, 0.00301698/step Wall: 5052.84, 0.00301698/step, 2.7721 hours remaining, 207.593750 MB of memory in use. ENERGY: 1692200 680.2025 2053.6175 1935.7346 116.5854 -205916.5565 17687.3623 0.0000 0.0000 34342.6102 -149100.4439 299.9226 -183443.0541 -149011.2315 299.4927 -52.7201 -17.9012 558439.7945 4.3726 4.3181 LDB: ============= START OF LOAD BALANCING ============== 5056.39 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5056.39 LDB: =============== DONE WITH MIGRATION ================ 5056.4 LDB: ============= START OF LOAD BALANCING ============== 5056.69 LDB: Largest compute 4796 load 0.026125 is 22.1% of average load 0.118172 LDB: Average compute 0.001718 is 1.5% of average load 0.118172 LDB: TIME 5056.7 LOAD: AVG 0.118172 MAX 0.207782 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.113 MB LDB: TIME 5056.7 LOAD: AVG 0.118172 MAX 0.207782 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.316 MB LDB: TIME 5056.7 LOAD: AVG 0.118172 MAX 0.207782 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.316 MB LDB: ============== END OF LOAD BALANCING =============== 5056.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5056.7 PRESSURE: 1692400 103.151 65.282 -101.674 65.2806 -187.958 -36.5638 -101.675 -36.5644 -70.7234 GPRESSURE: 1692400 148.686 149.58 -127.826 57.8786 -140.379 -76.0645 -74.8363 -115.304 -62.6058 PRESSAVG: 1692400 29.4915 -22.1092 -19.4275 -22.1091 -6.7666 33.8728 -19.4274 33.8727 -16.9722 GPRESSAVG: 1692400 29.0113 -20.3995 -19.4662 -21.3431 -5.93148 35.1442 -19.0795 31.5247 -17.4186 TIMING: 1692400 CPU: 5053.45, 0.00304632/step Wall: 5053.45, 0.00304632/step, 2.79889 hours remaining, 206.375000 MB of memory in use. ENERGY: 1692400 752.1845 2105.2386 1926.6646 107.0838 -206295.5441 17790.5852 0.0000 0.0000 34322.7242 -149291.0632 299.7489 -183613.7874 -149194.4716 299.9376 -51.8434 -18.0998 557583.0078 1.9176 1.8871 PRESSURE: 1692600 17.1003 -24.1733 5.57295 -24.1732 -480.868 -0.585586 5.57185 -0.586004 -198.514 GPRESSURE: 1692600 -15.2551 -42.6573 65.7146 17.8917 -426.863 44.3277 24.3152 -17.6274 -127.975 PRESSAVG: 1692600 49.8274 19.5559 5.36799 19.556 9.64657 -41.1532 5.36807 -41.1533 10.7849 GPRESSAVG: 1692600 49.648 20.6705 6.81543 17.4926 8.60207 -40.3143 4.58742 -41.6947 11.9362 TIMING: 1692600 CPU: 5054.05, 0.0029806/step Wall: 5054.05, 0.0029806/step, 2.73834 hours remaining, 206.375000 MB of memory in use. ENERGY: 1692600 759.6960 2077.9893 1918.1522 111.3556 -205906.3587 17544.9634 0.0000 0.0000 34105.8020 -149388.4001 297.8545 -183494.2021 -149290.8549 298.6303 -220.7604 -190.0310 557708.5272 23.4196 23.3954 PRESSURE: 1692800 -142.067 -76.7126 -138.933 -76.7142 198.416 -22.3409 -138.932 -22.3419 -70.1043 GPRESSURE: 1692800 -61.0044 -176.205 -55.7077 -21.3938 181.968 -7.51799 -259.682 -37.4352 -36.1339 PRESSAVG: 1692800 0.32788 -60.7701 -70.5764 -60.7702 1.53757 -32.9301 -70.5764 -32.93 20.7306 GPRESSAVG: 1692800 0.0881786 -62.255 -72.5785 -59.6778 2.33575 -31.508 -70.9652 -31.0972 20.7694 TIMING: 1692800 CPU: 5054.65, 0.00299286/step Wall: 5054.65, 0.00299286/step, 2.74944 hours remaining, 206.375000 MB of memory in use. ENERGY: 1692800 699.8167 2032.2782 1923.3978 113.5334 -206209.0227 17799.9112 0.0000 0.0000 34233.2359 -149406.8494 298.9674 -183640.0853 -149310.9497 298.5921 -4.5851 28.2765 557200.3024 7.5320 7.7311 PRESSURE: 1693000 162.18 72.7954 91.5925 72.7969 -18.4121 69.6253 91.5925 69.6262 -61.4695 GPRESSURE: 1693000 167.025 50.0127 131.309 147.339 7.24898 50.2795 65.588 101.082 9.17264 PRESSAVG: 1693000 32.8699 12.0576 -42.3883 12.0576 -34.5948 -66.3091 -42.3882 -66.309 24.819 GPRESSAVG: 1693000 33.321 13.6368 -41.2286 10.8231 -33.3351 -67.7225 -41.6362 -67.1548 24.1621 TIMING: 1693000 CPU: 5055.25, 0.00299861/step Wall: 5055.25, 0.00299861/step, 2.75456 hours remaining, 206.375000 MB of memory in use. ENERGY: 1693000 727.2048 2059.3116 1961.6272 114.9538 -206545.1890 17863.7689 0.0000 0.0000 34134.5274 -149683.7953 298.1053 -183818.3227 -149583.6889 298.2576 27.4329 61.1488 556899.4655 7.6981 8.0493 PRESSURE: 1693200 253.228 -8.09911 -3.18948 -8.09893 21.1591 -115.689 -3.19002 -115.691 30.1419 GPRESSURE: 1693200 304.635 -64.2096 67.2745 -74.8176 22.7478 -131.039 51.1846 -86.9092 78.9056 PRESSAVG: 1693200 89.8541 20.86 17.1937 20.8599 -69.3734 -24.7465 17.1937 -24.7465 -28.9686 GPRESSAVG: 1693200 89.3663 19.6341 18.2641 20.9391 -68.9993 -25.3708 17.0083 -24.8981 -28.4247 TIMING: 1693200 CPU: 5055.85, 0.00298924/step Wall: 5055.85, 0.00298924/step, 2.74578 hours remaining, 206.375000 MB of memory in use. ENERGY: 1693200 722.7906 2087.4442 1918.2153 104.0205 -206694.0419 18038.1602 0.0000 0.0000 34092.8024 -149730.6087 297.7409 -183823.4110 -149641.1253 298.1991 101.5097 135.4294 556392.5152 -2.8293 -2.6859 PRESSURE: 1693400 110.106 66.9811 48.144 66.9818 -95.1784 24.2489 48.1448 24.2513 199.685 GPRESSURE: 1693400 203.226 28.8286 81.6002 113.455 -96.8318 -46.8666 38.8302 40.9597 221.508 PRESSAVG: 1693400 -6.91674 -2.98518 35.6686 -2.98509 1.85992 24.3366 35.6686 24.3367 25.8603 GPRESSAVG: 1693400 -7.32804 -4.04223 34.0294 -1.04264 2.03484 23.5267 33.2443 25.6158 26.3776 TIMING: 1693400 CPU: 5056.45, 0.00300009/step Wall: 5056.45, 0.00300009/step, 2.75558 hours remaining, 206.640625 MB of memory in use. ENERGY: 1693400 725.1202 2086.3760 1902.7102 119.0922 -206318.1282 17941.5648 0.0000 0.0000 33863.9158 -149679.3491 295.7420 -183543.2649 -149587.3620 297.8258 71.5376 109.3007 556053.5800 6.9345 7.0281 PRESSURE: 1693600 13.0116 -134.479 86.565 -134.479 64.004 96.5374 86.5654 96.5367 -135.818 GPRESSURE: 1693600 57.9606 -161.219 109.001 -217.014 102.062 58.6761 72.7519 49.8014 -116.608 PRESSAVG: 1693600 -30.6666 36.9239 9.99331 36.9238 -1.37727 10.6837 9.99323 10.6836 -28.6023 GPRESSAVG: 1693600 -29.7076 38.185 9.81536 35.2698 -2.28971 12.8468 12.8386 9.60829 -28.4314 TIMING: 1693600 CPU: 5057.05, 0.00301617/step Wall: 5057.05, 0.00301617/step, 2.77018 hours remaining, 206.640625 MB of memory in use. ENERGY: 1693600 721.8258 2050.9409 1927.4383 110.5635 -206531.1017 17875.3514 0.0000 0.0000 34258.8799 -149586.1019 299.1913 -183844.9818 -149489.3730 297.8234 -19.6008 14.4717 557458.2137 -20.2154 -20.1429 PRESSURE: 1693800 37.4752 139.048 40.9074 139.05 -39.5012 37.4087 40.9081 37.4095 -108.072 GPRESSURE: 1693800 110.214 160.938 -39.0634 135.907 -115.798 3.00156 120.361 12.2915 -16.0398 PRESSAVG: 1693800 38.416 -24.0606 10.8094 -24.0606 51.7637 -22.3441 10.8093 -22.3441 -24.0641 GPRESSAVG: 1693800 39.027 -23.1064 11.155 -23.5128 51.7245 -23.9355 11.6332 -21.443 -25.3599 TIMING: 1693800 CPU: 5057.65, 0.00299716/step Wall: 5057.65, 0.00299716/step, 2.75256 hours remaining, 206.640625 MB of memory in use. ENERGY: 1693800 768.1181 2101.8730 1932.6185 118.0019 -206594.9189 17845.0688 0.0000 0.0000 34219.8944 -149609.3442 298.8508 -183829.2386 -149513.9214 298.7952 -36.6994 -7.2078 558087.2885 22.0385 21.7972 PRESSURE: 1694000 92.3755 -30.7572 20.0155 -30.7566 179.189 102.436 20.0156 102.435 -26.3936 GPRESSURE: 1694000 83.5372 0.544408 77.5853 -12.1429 212.149 176.139 -45.6504 121.641 44.637 PRESSAVG: 1694000 48.5912 -24.1408 11.0365 -24.1408 55.1103 36.8746 11.0365 36.8748 -87.3654 GPRESSAVG: 1694000 46.346 -27.4844 11.8702 -22.9564 55.8482 39.843 9.12561 34.2273 -85.7575 TIMING: 1694000 CPU: 5058.25, 0.00301341/step Wall: 5058.25, 0.00301341/step, 2.76732 hours remaining, 206.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1694000 745.0051 2030.1159 1932.7576 99.1579 -206306.0860 17820.1838 0.0000 0.0000 34269.0092 -149409.8566 299.2798 -183678.8658 -149312.9884 298.7524 81.7237 113.4409 556977.0455 5.4454 5.4789 PRESSURE: 1694200 143.816 33.2272 36.7742 33.2262 51.1151 72.1907 36.7733 72.1903 65.726 GPRESSURE: 1694200 176.799 -59.9533 104.016 86.8209 70.5982 99.7952 13.6774 67.3664 106.304 PRESSAVG: 1694200 -8.85623 -29.5731 -40.7533 -29.5731 -48.7887 21.9592 -40.7533 21.9593 27.0503 GPRESSAVG: 1694200 -6.86859 -28.7655 -41.5976 -30.0423 -49.4486 20.4527 -38.2114 23.846 25.5721 TIMING: 1694200 CPU: 5058.85, 0.00299509/step Wall: 5058.85, 0.00299509/step, 2.75032 hours remaining, 206.640625 MB of memory in use. ENERGY: 1694200 768.1094 2088.5782 1922.8463 131.2562 -206534.8984 17961.7510 0.0000 0.0000 34328.4121 -149333.9451 299.7986 -183662.3573 -149240.8080 299.3477 86.8857 117.9005 556359.6847 -10.1982 -10.2484 PRESSURE: 1694400 -56.1119 -70.3558 -106.55 -70.3568 27.8425 -105.982 -106.55 -105.983 -197.644 GPRESSURE: 1694400 -5.0935 -46.9456 -63.4278 3.0505 41.8532 -15.0001 -3.02605 -151.033 -165.576 PRESSAVG: 1694400 31.447 8.20614 17.893 8.20629 -8.0739 16.9849 17.8929 16.9849 -2.46817 GPRESSAVG: 1694400 30.6661 9.94082 18.6932 6.16999 -6.52753 15.0474 16.3969 17.016 -3.14655 TIMING: 1694400 CPU: 5059.45, 0.00301451/step Wall: 5059.45, 0.00301451/step, 2.76799 hours remaining, 206.640625 MB of memory in use. ENERGY: 1694400 766.1448 2032.0672 1953.8900 109.0805 -206126.1961 17648.9475 0.0000 0.0000 34277.5113 -149338.5547 299.3540 -183616.0660 -149241.6422 299.4964 -75.3043 -42.9389 556561.4414 6.9683 6.9973 PRESSURE: 1694600 -8.90808 -54.3247 35.5112 -54.3241 -103.357 150.485 35.5119 150.486 20.9259 GPRESSURE: 1694600 3.08921 16.709 89.1621 -112.362 -69.4863 188.795 -29.8247 135.629 72.916 PRESSAVG: 1694600 -87.0383 -33.8059 15.6834 -33.8058 80.7097 5.26405 15.6834 5.26393 -8.713 GPRESSAVG: 1694600 -87.2892 -31.9916 16.2914 -34.1414 80.8066 6.42793 14.0522 5.68705 -8.32808 TIMING: 1694600 CPU: 5060.05, 0.00297812/step Wall: 5060.05, 0.00297812/step, 2.73441 hours remaining, 206.640625 MB of memory in use. ENERGY: 1694600 740.5558 2102.0609 1951.1493 93.8350 -205862.3104 17563.0496 0.0000 0.0000 34017.2294 -149394.4304 297.0809 -183411.6598 -149300.0492 298.4572 -30.4465 2.1730 556598.6654 -5.0139 -4.9369 PRESSURE: 1694800 221.09 -69.8778 133.218 -69.8776 155.703 56.5267 133.219 56.5271 73.4497 GPRESSURE: 1694800 213.833 -152.354 70.0402 -44.5423 208.926 50.5052 118.611 100.391 134.029 PRESSAVG: 1694800 18.5556 -25.3662 29.7757 -25.3662 5.31559 -54.4672 29.7757 -54.467 -0.950075 GPRESSAVG: 1694800 18.4554 -27.7064 28.5248 -23.3401 4.65232 -55.4161 32.2219 -54.2145 -0.466908 TIMING: 1694800 CPU: 5060.64, 0.00297247/step Wall: 5060.64, 0.00297247/step, 2.72906 hours remaining, 206.640625 MB of memory in use. ENERGY: 1694800 692.9134 2075.1651 1943.2621 104.6480 -206280.1119 17898.0831 0.0000 0.0000 34065.8911 -149500.1493 297.5059 -183566.0404 -149402.5260 298.4328 150.0808 185.5959 556864.5351 7.6404 7.5469 PRESSURE: 1695000 -104.52 -92.0177 9.97253 -92.0186 -184.071 -52.5736 9.97129 -52.571 -143.348 GPRESSURE: 1695000 -133.019 -78.4918 -19.9695 -63.1699 -104.734 -91.3372 -33.4681 -59.1651 -107.407 PRESSAVG: 1695000 -47.1872 12.1762 -5.92479 12.1762 50.3298 -11.8586 -5.92469 -11.8586 -6.29948 GPRESSAVG: 1695000 -48.0732 12.3455 -5.6622 12.1967 49.6997 -11.4943 -5.80655 -11.8809 -5.43694 TIMING: 1695000 CPU: 5061.24, 0.00296911/step Wall: 5061.24, 0.00296911/step, 2.72581 hours remaining, 206.640625 MB of memory in use. ENERGY: 1695000 778.6809 2080.1877 1915.8697 115.8381 -206235.3569 17554.9391 0.0000 0.0000 34358.8341 -149431.0072 300.0642 -183789.8413 -149334.0520 299.0605 -143.9795 -115.0533 556123.0231 -1.0523 -1.2701 PRESSURE: 1695200 -232.757 21.2959 -64.0835 21.2957 -107.15 66.92 -64.0836 66.9195 100.603 GPRESSURE: 1695200 -219.514 -2.71943 17.8042 26.4624 -69.5333 18.9188 -122.249 7.41041 164.708 PRESSAVG: 1695200 -44.4485 -68.7385 -23.1604 -68.7385 65.2868 -23.3059 -23.1604 -23.306 -17.8609 GPRESSAVG: 1695200 -43.669 -68.9204 -22.01 -67.8804 65.8906 -25.082 -24.7873 -21.9878 -18.9752 TIMING: 1695200 CPU: 5061.83, 0.00295708/step Wall: 5061.83, 0.00295708/step, 2.7146 hours remaining, 206.640625 MB of memory in use. ENERGY: 1695200 756.5361 2112.5552 1946.0553 118.0865 -206193.5059 17699.7507 0.0000 0.0000 34131.0458 -149429.4763 298.0749 -183560.5221 -149331.3662 299.5938 -79.7680 -41.4467 555596.5411 0.9925 1.0821 PRESSURE: 1695400 137.944 -175.661 11.8748 -175.661 -131.03 34.6891 11.8767 34.6909 -66.7836 GPRESSURE: 1695400 181.572 -173.107 85.9933 -121.574 -85.695 70.0494 -6.23735 -43.5043 -58.7024 PRESSAVG: 1695400 -15.306 45.6713 17.0164 45.6714 -52.8733 25.3934 17.0164 25.3935 -2.30657 GPRESSAVG: 1695400 -15.6874 45.3909 16.2597 46.1678 -52.1572 27.0537 19.8138 24.3934 -2.27859 TIMING: 1695400 CPU: 5062.42, 0.00296465/step Wall: 5062.42, 0.00296465/step, 2.72138 hours remaining, 206.640625 MB of memory in use. ENERGY: 1695400 737.7819 2059.2851 1980.2001 126.5256 -206364.9493 17782.0765 0.0000 0.0000 34223.9711 -149455.1089 298.8865 -183679.0800 -149362.8038 298.6312 -19.9567 12.3917 557730.2197 -23.4953 -23.3744 PRESSURE: 1695600 -20.3264 -51.5556 199.149 -51.5553 23.5193 -48.0944 199.149 -48.0934 -173.423 GPRESSURE: 1695600 7.01924 -84.5735 199.005 -14.3063 44.8402 -32.4068 139.765 -20.8932 -130.783 PRESSAVG: 1695600 -19.1967 -6.33196 100.836 -6.33206 -6.59766 -40.6321 100.836 -40.6321 49.7072 GPRESSAVG: 1695600 -18.3186 -6.92306 102.299 -8.31953 -7.54855 -40.0179 98.1513 -40.9704 49.277 TIMING: 1695600 CPU: 5063.01, 0.00296321/step Wall: 5063.01, 0.00296321/step, 2.71989 hours remaining, 206.640625 MB of memory in use. ENERGY: 1695600 748.3886 2092.0360 1934.2352 130.5047 -206572.4270 17762.9211 0.0000 0.0000 34355.6689 -149548.6725 300.0366 -183904.3414 -149456.0876 297.9576 -56.7433 -26.3078 557743.6957 7.9710 7.8033 PRESSURE: 1695800 -131.457 86.9365 -66.634 86.9352 -9.13051 -111.992 -66.6345 -111.994 166.162 GPRESSURE: 1695800 -124.805 16.8754 -31.0611 172.792 -2.90463 -154.669 -38.9147 -118.057 246.807 PRESSAVG: 1695800 -4.13835 -44.0769 35.4133 -44.0768 -37.602 -60.7006 35.4132 -60.7006 21.3181 GPRESSAVG: 1695800 -4.10697 -43.8318 33.7877 -41.634 -36.8746 -63.2763 37.8304 -60.9284 20.8986 TIMING: 1695800 CPU: 5063.61, 0.00298347/step Wall: 5063.61, 0.00298347/step, 2.73833 hours remaining, 206.640625 MB of memory in use. ENERGY: 1695800 731.8200 2137.7773 1918.7838 114.1448 -206590.0744 17930.2687 0.0000 0.0000 34043.1561 -149714.1237 297.3073 -183757.2798 -149618.4004 298.4218 8.5248 39.6992 558419.8753 -6.8074 -6.6943 PRESSURE: 1696000 107.676 3.33695 103.032 3.33692 113.94 104.283 103.032 104.283 7.3356 GPRESSURE: 1696000 132.433 31.5144 181.109 -47.4812 150.228 79.8951 141.842 50.5498 42.0216 PRESSAVG: 1696000 -2.50792 18.0454 0.465359 18.0454 -7.74086 -16.0732 0.465327 -16.0733 20.6222 GPRESSAVG: 1696000 -3.44955 16.2668 0.398804 16.4004 -8.31413 -14.6683 1.1724 -15.9916 21.2924 TIMING: 1696000 CPU: 5064.21, 0.00299898/step Wall: 5064.21, 0.00299898/step, 2.7524 hours remaining, 206.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1696000 772.2226 2102.3061 1939.3037 127.3588 -206774.6347 18043.1422 0.0000 0.0000 34098.1372 -149692.1641 297.7875 -183790.3013 -149592.0663 297.9484 76.3171 108.2276 557179.0043 3.4578 3.1762 PRESSURE: 1696200 -71.8568 27.1246 129.233 27.1239 -318.959 -63.56 129.233 -63.5613 -69.5127 GPRESSURE: 1696200 -93.7143 67.8027 188.286 6.36883 -276.536 -219.135 43.1763 -15.0421 4.69201 PRESSAVG: 1696200 -26.0102 -34.4755 2.91287 -34.4756 -15.658 -7.11113 2.91284 -7.11114 31.5334 GPRESSAVG: 1696200 -25.9609 -30.7627 3.92659 -35.3212 -16.259 -6.29082 0.892257 -7.15818 32.4153 TIMING: 1696200 CPU: 5064.81, 0.0029842/step Wall: 5064.81, 0.0029842/step, 2.73867 hours remaining, 206.640625 MB of memory in use. ENERGY: 1696200 771.7051 2132.4008 1936.8432 116.3831 -206719.5262 17926.0240 0.0000 0.0000 34215.3970 -149620.7730 298.8116 -183836.1700 -149525.6127 297.2723 -153.4429 -121.8529 558926.4219 -3.3783 -3.2682 LDB: ============= START OF LOAD BALANCING ============== 5068.36 LDB: ============== END OF LOAD BALANCING =============== 5068.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5068.36 LDB: ============= START OF LOAD BALANCING ============== 5068.66 LDB: Largest compute 4796 load 0.026031 is 22.0% of average load 0.118211 LDB: Average compute 0.001721 is 1.5% of average load 0.118211 LDB: TIME 5068.66 LOAD: AVG 0.118211 MAX 0.208573 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.082 MB LDB: TIME 5068.66 LOAD: AVG 0.118211 MAX 0.208573 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.09 MB LDB: TIME 5068.66 LOAD: AVG 0.118211 MAX 0.208573 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.09 MB LDB: ============== END OF LOAD BALANCING =============== 5068.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5068.66 PRESSURE: 1696400 5.74524 5.76098 161.738 5.76068 160.883 27.6977 161.738 27.698 45.2032 GPRESSURE: 1696400 44.9516 94.6139 119.204 -3.64545 191.832 72.2839 146.28 11.8963 66.9216 PRESSAVG: 1696400 31.027 9.24951 40.4639 9.24954 -18.6089 34.8163 40.4638 34.8164 -28.7828 GPRESSAVG: 1696400 32.5866 7.88897 40.6404 11.8352 -18.7866 33.7322 41.8288 35.5285 -30.0441 TIMING: 1696400 CPU: 5065.42, 0.00304071/step Wall: 5065.42, 0.00304071/step, 2.79036 hours remaining, 207.593750 MB of memory in use. ENERGY: 1696400 762.8149 2063.2359 1943.1775 114.6726 -206849.5801 18142.4768 0.0000 0.0000 34100.0704 -149723.1320 297.8044 -183823.2024 -149624.2414 297.8633 70.6106 101.2352 557756.2689 -5.4549 -5.4147 PRESSURE: 1696600 165.896 -13.4463 -24.287 -13.447 148.161 -6.53896 -24.2875 -6.53813 28.8804 GPRESSURE: 1696600 172.635 1.96789 21.904 -61.1675 158.075 92.3886 -82.0743 -44.4477 108.98 PRESSAVG: 1696600 -4.5519 22.6829 30.669 22.6829 10.9313 -15.1296 30.6691 -15.1295 43.1791 GPRESSAVG: 1696600 -4.91732 22.6829 30.8851 22.7211 11.577 -12.9534 29.3532 -15.9428 42.5172 TIMING: 1696600 CPU: 5066.01, 0.0029851/step Wall: 5066.01, 0.0029851/step, 2.73916 hours remaining, 207.593750 MB of memory in use. ENERGY: 1696600 762.2210 2051.5353 1897.7761 113.6740 -207000.9851 18269.9169 0.0000 0.0000 34234.2202 -149671.6417 298.9760 -183905.8619 -149574.9633 297.7975 114.3123 146.5636 558607.0058 16.5195 16.3923 PRESSURE: 1696800 106.925 243.267 34.9103 243.266 -134.483 137.733 34.9102 137.732 -198.442 GPRESSURE: 1696800 125.411 155.074 10.975 266.331 -132.148 128.64 62.8976 114.529 -127.771 PRESSAVG: 1696800 23.9025 -13.2526 -11.753 -13.2527 1.89758 -19.4004 -11.753 -19.4003 -39.4606 GPRESSAVG: 1696800 23.6327 -14.8953 -13.8778 -14.7646 1.16551 -21.5811 -9.22114 -19.2518 -38.6279 TIMING: 1696800 CPU: 5066.61, 0.00297772/step Wall: 5066.61, 0.00297772/step, 2.73223 hours remaining, 207.593750 MB of memory in use. ENERGY: 1696800 704.2148 2094.5964 1923.0491 107.5405 -206157.6967 17684.3793 0.0000 0.0000 34005.0383 -149638.8784 296.9745 -183643.9167 -149531.9415 297.8963 -75.3333 -44.8362 558039.0715 -4.5535 -4.6099 PRESSURE: 1697000 -88.0755 -85.8582 52.9154 -85.8581 -11.5323 63.3319 52.9162 63.3303 17.152 GPRESSURE: 1697000 -75.2988 -70.7129 149.549 -27.0757 9.64007 46.8415 3.53058 43.5227 75.5839 PRESSAVG: 1697000 8.81318 17.4165 23.5205 17.4165 -6.55086 53.7561 23.5204 53.7561 5.40387 GPRESSAVG: 1697000 8.87678 19.4476 26.4227 16.9873 -6.81807 52.8032 20.0221 54.4537 5.91083 TIMING: 1697000 CPU: 5067.2, 0.00298056/step Wall: 5067.2, 0.00298056/step, 2.73467 hours remaining, 207.851562 MB of memory in use. ENERGY: 1697000 692.4986 2104.9735 1904.1285 116.6580 -206147.4599 17460.7501 0.0000 0.0000 34280.5829 -149587.8683 299.3809 -183868.4512 -149489.7520 297.4009 -27.4853 3.3084 557358.5322 2.5554 2.6565 PRESSURE: 1697200 65.5447 -28.7704 -136.27 -28.7696 23.6825 -21.6134 -136.271 -21.614 -92.5444 GPRESSURE: 1697200 91.4258 33.0508 -139.915 4.43359 42.3101 33.2581 -193.343 -25.5408 -38.0492 PRESSAVG: 1697200 -38.5074 13.9197 -46.8828 13.9198 -40.5576 32.2607 -46.8828 32.2607 51.5188 GPRESSAVG: 1697200 -37.824 12.6926 -48.6386 14.2843 -40.4996 31.2875 -43.6118 34.5742 50.3898 TIMING: 1697200 CPU: 5067.8, 0.00298073/step Wall: 5067.8, 0.00298073/step, 2.73465 hours remaining, 207.851562 MB of memory in use. ENERGY: 1697200 710.2150 2059.3558 1900.5532 113.8389 -206355.2262 17801.5747 0.0000 0.0000 34286.6050 -149483.0835 299.4334 -183769.6885 -149379.8226 298.5869 -1.1058 31.8955 556379.8075 -9.1821 -9.3113 PRESSURE: 1697400 -46.1548 29.6391 -176.662 29.6392 -108.727 25.2988 -176.662 25.2999 9.79908 GPRESSURE: 1697400 -5.86778 100.579 -138.21 24.1493 -107.301 -4.51188 -226.476 56.1521 78.22 PRESSAVG: 1697400 -1.13191 19.7923 -54.8429 19.7922 -20.1581 31.8552 -54.8429 31.8552 1.74064 GPRESSAVG: 1697400 -1.34902 20.1121 -54.9586 19.4547 -20.9235 31.9344 -57.145 29.4289 2.82643 TIMING: 1697400 CPU: 5068.4, 0.00297645/step Wall: 5068.4, 0.00297645/step, 2.73057 hours remaining, 207.851562 MB of memory in use. ENERGY: 1697400 747.5324 2051.5913 1922.7235 111.0873 -206357.8204 17795.6820 0.0000 0.0000 34275.9915 -149453.2124 299.3408 -183729.2039 -149361.0138 298.3312 -48.3608 -11.6497 557253.7431 -6.5165 -6.4820 PRESSURE: 1697600 56.4955 -4.75735 -196.213 -4.75726 27.4083 19.1203 -196.212 19.1197 159.72 GPRESSURE: 1697600 90.2945 -0.27504 -236.881 -36.3913 39.9505 29.8612 -204.397 37.4209 217.551 PRESSAVG: 1697600 -47.5811 -13.7034 -30.6516 -13.7034 13.9345 72.6836 -30.6515 72.6835 8.10066 GPRESSAVG: 1697600 -48.5933 -12.2189 -28.9225 -12.2135 14.9257 75.5576 -30.8835 72.6828 7.91116 TIMING: 1697600 CPU: 5068.99, 0.00295891/step Wall: 5068.99, 0.00295891/step, 2.7143 hours remaining, 207.851562 MB of memory in use. ENERGY: 1697600 737.5510 2018.7162 1916.4397 103.7215 -205867.4602 17705.4490 0.0000 0.0000 34013.7130 -149371.8698 297.0502 -183385.5828 -149281.6181 298.9507 81.2079 115.9320 555534.1260 -8.5153 -8.5855 PRESSURE: 1697800 74.1307 -25.7871 9.85766 -25.7883 46.6584 100.024 9.85841 100.023 76.7137 GPRESSURE: 1697800 115.944 -47.7253 -6.33209 -17.8249 146.537 39.2569 -20.8733 176.118 43.0859 PRESSAVG: 1697800 12.0154 -19.2099 -82.3265 -19.2099 15.4488 22.3851 -82.3265 22.3851 -47.0158 GPRESSAVG: 1697800 12.1175 -17.955 -86.0158 -20.3845 16.8037 21.2128 -79.892 21.2277 -48.3008 TIMING: 1697800 CPU: 5069.58, 0.00295993/step Wall: 5069.58, 0.00295993/step, 2.71508 hours remaining, 207.851562 MB of memory in use. ENERGY: 1697800 736.1792 2053.4677 1937.7850 103.2249 -206063.6979 17740.0102 0.0000 0.0000 34260.8092 -149232.2218 299.2082 -183493.0309 -149141.0194 299.1352 65.8343 101.8556 555246.6435 -6.5172 -6.4599 PRESSURE: 1698000 184.594 34.683 -111.495 34.6828 179.485 -123.047 -111.494 -123.047 -37.3325 GPRESSURE: 1698000 144.573 81.7482 -94.1908 -53.6536 207.464 -177.363 -162.971 -117.97 74.5674 PRESSAVG: 1698000 -67.11 5.40696 -19.4889 5.4069 56.939 -26.0882 -19.4888 -26.0884 1.65086 GPRESSAVG: 1698000 -66.2543 4.8169 -18.349 4.81097 54.429 -25.606 -19.0412 -24.3703 2.81368 TIMING: 1698000 CPU: 5070.17, 0.0029707/step Wall: 5070.17, 0.0029707/step, 2.72479 hours remaining, 207.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1698000 738.3066 2140.2960 1913.4005 112.5367 -206507.5145 18037.0146 0.0000 0.0000 34116.3688 -149449.5913 297.9467 -183565.9601 -149363.6114 299.7016 108.9157 142.2013 555528.1278 -2.8400 -3.0039 PRESSURE: 1698200 16.6765 -221.86 -212.226 -221.861 -6.44135 42.1354 -212.227 42.136 133.965 GPRESSURE: 1698200 24.1399 -134.573 -139.587 -253.988 39.4365 112.024 -230.223 -40.7974 181.694 PRESSAVG: 1698200 14.4254 -16.9364 -50.253 -16.9364 21.7418 -14.4245 -50.253 -14.4245 -39.8775 GPRESSAVG: 1698200 13.6726 -16.1312 -47.6944 -18.2334 23.7483 -14.6874 -51.3669 -14.8942 -42.0472 TIMING: 1698200 CPU: 5070.77, 0.00296195/step Wall: 5070.77, 0.00296195/step, 2.7166 hours remaining, 207.921875 MB of memory in use. ENERGY: 1698200 761.4770 2115.7820 1911.4762 115.4519 -206286.6403 17703.7593 0.0000 0.0000 34129.4298 -149549.2641 298.0608 -183678.6940 -149450.3292 298.7894 48.0668 81.7569 555468.0671 -1.2368 -1.5421 PRESSURE: 1698400 -29.7825 12.1853 -16.3221 12.1849 126.554 -33.7 -16.3213 -33.7011 12.1915 GPRESSURE: 1698400 -19.7107 128.834 -15.6697 -6.21989 128.625 14.1702 -18.9013 -32.3174 87.8284 PRESSAVG: 1698400 64.3255 -7.59502 -7.80814 -7.59507 21.6333 -21.0637 -7.80806 -21.0636 -55.3255 GPRESSAVG: 1698400 65.0561 -10.1109 -9.36104 -5.69409 21.0427 -19.7903 -7.23354 -22.149 -55.3211 TIMING: 1698400 CPU: 5071.36, 0.00299058/step Wall: 5071.36, 0.00299058/step, 2.7427 hours remaining, 207.921875 MB of memory in use. ENERGY: 1698400 709.3365 2014.8684 1924.4168 122.5064 -206448.5026 17864.7310 0.0000 0.0000 34239.4107 -149573.2329 299.0213 -183812.6436 -149468.7942 298.3048 36.3211 65.5810 556040.5863 10.2111 10.2593 PRESSURE: 1698600 45.7057 43.5901 -67.6205 43.592 391.742 33.4684 -67.62 33.4685 58.3752 GPRESSURE: 1698600 132.812 -26.8081 -48.9548 83.0584 371.22 2.18163 -67.8648 54.6269 75.0387 PRESSAVG: 1698600 -29.094 -27.7617 -55.5161 -27.7617 89.154 -32.688 -55.5161 -32.688 -4.06678 GPRESSAVG: 1698600 -29.2785 -27.862 -56.1739 -26.8856 89.0727 -34.0826 -54.622 -32.3788 -3.4351 TIMING: 1698600 CPU: 5071.96, 0.00297569/step Wall: 5071.96, 0.00297569/step, 2.72887 hours remaining, 207.921875 MB of memory in use. ENERGY: 1698600 728.5506 2095.0927 1912.1177 119.5300 -206839.6039 18142.1734 0.0000 0.0000 34420.1119 -149422.0276 300.5994 -183842.1395 -149323.3962 298.9111 165.2743 193.0236 554875.0802 18.6644 18.7864 PRESSURE: 1698800 233.195 -99.8929 -15.7393 -99.8931 -29.9368 -70.911 -15.7394 -70.9095 108.61 GPRESSURE: 1698800 222.297 -57.2069 -26.8655 -142.119 36.9755 -61.1523 -46.2429 -10.6494 164.786 PRESSAVG: 1698800 -26.5201 -41.8701 -8.24402 -41.8702 -10.6022 10.7425 -8.24406 10.7425 38.2994 GPRESSAVG: 1698800 -26.6325 -40.5934 -7.92115 -43.0335 -10.7049 11.6356 -9.56422 12.3352 38.8037 TIMING: 1698800 CPU: 5072.56, 0.00299114/step Wall: 5072.56, 0.00299114/step, 2.74287 hours remaining, 207.921875 MB of memory in use. ENERGY: 1698800 761.8120 2103.6868 1945.0474 113.6927 -206377.2484 17959.9773 0.0000 0.0000 34203.9684 -149289.0639 298.7118 -183493.0322 -149189.7361 299.2137 103.9563 141.3530 556964.5748 0.3924 0.4888 PRESSURE: 1699000 -83.5228 5.10674 -135.848 5.10675 -20.1278 -12.7033 -135.849 -12.7024 99.9953 GPRESSURE: 1699000 -69.4357 43.5154 -93.5663 -64.6988 30.7747 -24.245 -154.612 78.1785 140.433 PRESSAVG: 1699000 45.0269 -40.437 -85.2225 -40.4369 -42.001 3.06639 -85.2226 3.06643 36.6908 GPRESSAVG: 1699000 44.0739 -40.8475 -84.8541 -39.0843 -41.491 0.682377 -86.0172 3.4813 37.3072 TIMING: 1699000 CPU: 5073.15, 0.00298032/step Wall: 5073.15, 0.00298032/step, 2.73279 hours remaining, 207.921875 MB of memory in use. ENERGY: 1699000 733.7412 2120.5994 1933.5689 125.4319 -206238.5617 17840.4848 0.0000 0.0000 34130.5376 -149354.1978 298.0705 -183484.7353 -149253.2411 298.8114 -1.2184 33.9239 557542.2893 13.2389 13.2967 PRESSURE: 1699200 -367.317 109.538 -70.465 109.537 -58.0425 -56.2231 -70.4657 -56.2225 -127.378 GPRESSURE: 1699200 -345.298 62.3104 -91.2221 110.069 -16.9726 -52.694 -59.7274 -34.8099 -93.3801 PRESSAVG: 1699200 -57.6651 -33.9595 -78.9467 -33.9595 19.4389 -20.3482 -78.9466 -20.3482 39.8894 GPRESSAVG: 1699200 -57.3573 -34.7285 -78.7212 -34.3835 20.4044 -19.745 -75.4128 -21.7639 38.9076 TIMING: 1699200 CPU: 5073.75, 0.00298982/step Wall: 5073.75, 0.00298982/step, 2.74133 hours remaining, 207.921875 MB of memory in use. ENERGY: 1699200 751.0518 2111.3949 1931.1761 113.0471 -206096.3640 17621.8473 0.0000 0.0000 34241.6440 -149326.2028 299.0408 -183567.8468 -149234.9514 298.1669 -184.2458 -151.8834 557046.0161 0.5544 0.6516 PRESSURE: 1699400 116.55 -82.7359 123.924 -82.7366 198.718 55.6643 123.924 55.6651 -199.486 GPRESSURE: 1699400 202.013 -218.469 134.538 -9.86182 169.973 80.5266 62.8662 26.1778 -158.023 PRESSAVG: 1699400 -15.9694 39.0893 -22.4244 39.0892 41.4098 -46.7396 -22.4244 -46.7396 15.1668 GPRESSAVG: 1699400 -15.8251 39.6287 -23.4644 37.8012 41.4074 -46.8766 -25.2337 -47.1611 15.3961 TIMING: 1699400 CPU: 5074.34, 0.00296692/step Wall: 5074.34, 0.00296692/step, 2.72017 hours remaining, 207.921875 MB of memory in use. ENERGY: 1699400 723.1529 2121.5010 1922.7250 106.2023 -206296.7728 17962.2555 0.0000 0.0000 34297.0080 -149163.9281 299.5243 -183460.9361 -149074.7191 299.1310 38.5942 71.3212 557801.2636 13.5357 13.6595 PRESSURE: 1699600 -195.76 -26.0961 125.5 -26.0965 -142.029 44.5284 125.5 44.5263 -166.409 GPRESSURE: 1699600 -158.525 20.9008 71.2638 -67.5749 -79.0288 47.8482 69.9911 29.8717 -164.731 PRESSAVG: 1699600 26.4538 -31.2435 -1.4833 -31.2436 32.479 -11.8743 -1.48325 -11.8743 -49.7947 GPRESSAVG: 1699600 26.966 -29.5191 -1.19624 -31.5332 32.2112 -12.1148 -1.10568 -10.5923 -50.1799 TIMING: 1699600 CPU: 5074.94, 0.00296574/step Wall: 5074.94, 0.00296574/step, 2.71892 hours remaining, 207.921875 MB of memory in use. ENERGY: 1699600 749.9465 2103.9600 1952.7400 106.7750 -205796.5223 17528.5220 0.0000 0.0000 34240.1081 -149114.4707 299.0274 -183354.5789 -149023.0636 298.9929 -168.0660 -134.0951 558441.4999 3.0460 2.9991 PRESSURE: 1699800 -252.758 40.9025 -120.666 40.9036 -79.7168 13.9743 -120.666 13.9744 -97.4072 GPRESSURE: 1699800 -164.196 76.9373 -127.47 -27.6797 -96.7476 -7.08119 -162.057 -53.2148 -66.904 PRESSAVG: 1699800 -52.3497 -22.6426 10.833 -22.6426 69.4368 -11.3773 10.833 -11.3772 -22.0397 GPRESSAVG: 1699800 -51.561 -23.283 12.2785 -23.7968 68.8049 -10.6021 12.4326 -10.9674 -22.6402 TIMING: 1699800 CPU: 5075.53, 0.00296365/step Wall: 5075.53, 0.00296365/step, 2.71685 hours remaining, 207.921875 MB of memory in use. ENERGY: 1699800 721.2233 2102.2337 1903.3959 119.2319 -205811.4016 17518.2261 0.0000 0.0000 34279.0738 -149168.0168 299.3677 -183447.0906 -149069.3151 299.0051 -143.2941 -109.2825 556891.4262 -1.6508 -1.7988 PRESSURE: 1700000 -3.24306 -70.1499 -6.12306 -70.1512 20.9968 -139.038 -6.12292 -139.037 19.5412 GPRESSURE: 1700000 51.9361 98.1624 -18.4541 -188.98 62.3042 -100.467 -4.41932 -171.726 26.7467 PRESSAVG: 1700000 -29.6102 -6.26256 27.2613 -6.26257 -60.8029 -49.315 27.2613 -49.3152 51.1123 GPRESSAVG: 1700000 -31.3552 -4.36824 27.6849 -4.94244 -60.1491 -48.3965 25.1525 -49.2197 52.4816 TIMING: 1700000 CPU: 5076.12, 0.00296897/step Wall: 5076.12, 0.00296897/step, 2.72155 hours remaining, 207.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1700000 772.7508 2046.9921 1938.3003 110.9970 -206386.5582 17997.6726 0.0000 0.0000 34351.9181 -149167.9272 300.0038 -183519.8453 -149067.3873 299.5338 12.4316 46.9957 556335.5182 -13.1002 -13.0076 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1700000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 1700000 WRITING COORDINATES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1700200 110.604 74.4388 36.7107 74.4397 -190.966 -19.493 36.711 -19.4934 170.952 GPRESSURE: 1700200 126.122 69.6195 -28.533 117.508 -173.483 -21.6458 84.6788 -65.4016 239.972 PRESSAVG: 1700200 33.115 -29.068 24.4972 -29.068 -63.4407 -25.233 24.4972 -25.233 73.8477 GPRESSAVG: 1700200 33.516 -31.8251 22.3188 -28.3543 -63.9713 -25.18 27.476 -26.2591 73.7253 TIMING: 1700200 CPU: 5076.74, 0.00306343/step Wall: 5076.74, 0.00306343/step, 2.80798 hours remaining, 207.921875 MB of memory in use. ENERGY: 1700200 741.2378 2116.2388 1938.6958 106.3046 -205889.1835 17713.4654 0.0000 0.0000 34109.2057 -149164.0352 297.8842 -183273.2410 -149066.0867 299.2304 30.1969 64.2034 557922.0056 14.5073 14.4234 LDB: ============= START OF LOAD BALANCING ============== 5080.28 LDB: ============== END OF LOAD BALANCING =============== 5080.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5080.29 LDB: ============= START OF LOAD BALANCING ============== 5080.58 LDB: Largest compute 4772 load 0.027218 is 23.0% of average load 0.118235 LDB: Average compute 0.001723 is 1.5% of average load 0.118235 LDB: TIME 5080.58 LOAD: AVG 0.118235 MAX 0.208233 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.301 MB LDB: TIME 5080.58 LOAD: AVG 0.118235 MAX 0.208233 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: TIME 5080.58 LOAD: AVG 0.118235 MAX 0.208233 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5080.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5080.59 PRESSURE: 1700400 135.956 31.5956 126.019 31.5964 146.694 34.5725 126.02 34.5708 118.796 GPRESSURE: 1700400 108.889 50.0674 102.123 23.5612 163.16 -23.9512 160.002 70.4534 216.714 PRESSAVG: 1700400 -9.83803 -11.3332 70.807 -11.3332 -33.9889 25.0147 70.8071 25.0147 28.1563 GPRESSAVG: 1700400 -9.05957 -9.87943 70.8782 -13.2568 -33.9735 23.0056 68.1723 25.4731 27.3844 TIMING: 1700400 CPU: 5077.34, 0.0030106/step Wall: 5077.34, 0.0030106/step, 2.75938 hours remaining, 206.562500 MB of memory in use. ENERGY: 1700400 739.4844 2101.0591 1927.3105 101.2675 -206426.0174 18084.3689 0.0000 0.0000 34222.0209 -149250.5061 298.8694 -183472.5270 -149153.9793 299.0734 133.8152 162.9209 556882.7428 -5.2236 -5.2162 PRESSURE: 1700600 29.0236 -53.8468 165.974 -53.8473 102.871 -5.50781 165.976 -5.50799 -61.0723 GPRESSURE: 1700600 38.5398 -43.4966 165.989 -44.422 97.9041 -78.5855 169.186 45.6299 33.4265 PRESSAVG: 1700600 14.1949 -28.3005 45.6946 -28.3005 -28.6767 -27.7349 45.6946 -27.7348 0.778564 GPRESSAVG: 1700600 13.6375 -29.5918 45.3312 -26.8857 -29.2893 -24.6411 46.8548 -28.2907 2.33592 TIMING: 1700600 CPU: 5077.93, 0.00294155/step Wall: 5077.93, 0.00294155/step, 2.69593 hours remaining, 206.562500 MB of memory in use. ENERGY: 1700600 751.0191 2119.7835 1952.9757 114.0009 -205883.7817 17728.2723 0.0000 0.0000 33985.0402 -149232.6900 296.7998 -183217.7302 -149139.3191 299.8795 23.6074 56.6235 556281.5003 -4.5678 -4.4386 PRESSURE: 1700800 328.472 -90.1426 120.074 -90.1436 202.441 78.559 120.073 78.5608 347.217 GPRESSURE: 1700800 361.303 -87.0879 104.488 -111.482 268.538 25.0287 46.0194 26.2041 336.053 PRESSAVG: 1700800 -31.4606 -36.9375 -12.3889 -36.9376 34.8082 -4.23428 -12.3889 -4.23436 58.5104 GPRESSAVG: 1700800 -30.7578 -36.9961 -11.5143 -36.7425 35.4943 -7.21735 -14.9013 -4.00439 57.2023 TIMING: 1700800 CPU: 5078.52, 0.00296338/step Wall: 5078.52, 0.00296338/step, 2.71577 hours remaining, 206.562500 MB of memory in use. ENERGY: 1700800 740.1332 2129.3180 1951.4266 117.0438 -206434.9000 17993.9240 0.0000 0.0000 34300.9408 -149202.1136 299.5586 -183503.0544 -149111.3632 299.7504 292.7098 321.9648 554459.5904 20.6193 20.6462 PRESSURE: 1701000 -7.93001 20.4476 -35.5506 20.4479 131.578 -45.3453 -35.5504 -45.3439 109.542 GPRESSURE: 1701000 5.60847 36.7986 -65.6048 -79.5438 119.717 -12.5501 62.6643 -38.2092 186.423 PRESSAVG: 1701000 -8.88954 -57.5015 -36.4929 -57.5016 25.4926 50.1286 -36.4928 50.1286 -11.2263 GPRESSAVG: 1701000 -9.76207 -58.8724 -36.215 -55.9855 24.5326 51.4172 -33.9341 48.4798 -9.55142 TIMING: 1701000 CPU: 5079.11, 0.00296832/step Wall: 5079.11, 0.00296832/step, 2.72014 hours remaining, 206.562500 MB of memory in use. ENERGY: 1701000 727.4094 2108.3053 1941.3976 117.4059 -206228.9461 17719.3479 0.0000 0.0000 34428.3141 -149186.7659 300.6710 -183615.0801 -149089.2450 299.8993 77.7302 103.9161 554535.7203 1.7922 1.7397 PRESSURE: 1701200 84.5487 36.7837 -34.1684 36.7845 -115.787 103.258 -34.1683 103.258 -135.561 GPRESSURE: 1701200 134.118 69.7844 -72.6324 -0.935908 -78.807 49.1436 -5.24363 99.5214 -130.723 PRESSAVG: 1701200 43.7823 -27.1043 -9.19768 -27.1043 16.9714 41.9317 -9.19757 41.9318 -85.6476 GPRESSAVG: 1701200 43.7866 -25.7375 -8.82379 -28.9237 17.6681 42.3015 -9.74171 42.9634 -85.7973 TIMING: 1701200 CPU: 5079.71, 0.00298006/step Wall: 5079.71, 0.00298006/step, 2.73073 hours remaining, 206.562500 MB of memory in use. ENERGY: 1701200 727.0910 2097.6282 1936.6732 104.1697 -206189.3952 17755.7350 0.0000 0.0000 34369.5221 -149198.5760 300.1576 -183568.0981 -149101.2591 299.9016 -55.5997 -25.1375 557451.1097 -8.2979 -8.1142 PRESSURE: 1701400 28.7606 49.7527 -48.8787 49.7531 60.3135 -111.752 -48.88 -111.751 -44.7707 GPRESSURE: 1701400 53.7957 84.8226 12.822 4.12133 88.6555 -173.309 -26.3582 -77.1284 -4.71518 PRESSAVG: 1701400 33.0646 6.13058 9.45291 6.13039 27.9426 -27.6911 9.4529 -27.6912 -51.5025 GPRESSAVG: 1701400 32.6149 8.83284 9.71784 4.3055 28.5518 -28.1417 8.76278 -26.6571 -52.1102 TIMING: 1701400 CPU: 5080.31, 0.00298386/step Wall: 5080.31, 0.00298387/step, 2.73405 hours remaining, 206.562500 MB of memory in use. ENERGY: 1701400 777.1644 2099.3190 1920.8026 117.0243 -206537.3867 17893.7680 0.0000 0.0000 34356.2987 -149373.0097 300.0421 -183729.3084 -149277.0202 299.7710 14.7678 45.9120 556999.1254 3.1682 3.0188 PRESSURE: 1701600 -58.7392 -16.5241 -125.024 -16.5244 85.4533 34.0849 -125.024 34.0847 -318.308 GPRESSURE: 1701600 12.8239 -14.708 -53.6461 1.99118 154.185 115.776 -110.664 27.6274 -361.744 PRESSAVG: 1701600 32.0695 -42.7086 -41.0407 -42.7086 8.69943 7.05591 -41.0406 7.05585 -56.605 GPRESSAVG: 1701600 33.0337 -45.7836 -41.4182 -40.4435 8.06073 8.02704 -40.6058 5.02809 -56.9847 TIMING: 1701600 CPU: 5080.9, 0.00298809/step Wall: 5080.9, 0.00298809/step, 2.73775 hours remaining, 206.562500 MB of memory in use. ENERGY: 1701600 764.2189 2089.4090 1925.0966 108.7423 -206190.2492 17820.6121 0.0000 0.0000 34060.3209 -149421.8494 297.4573 -183482.1703 -149324.7410 298.7391 -97.1981 -64.9118 557416.1861 -5.2787 -5.2968 PRESSURE: 1701800 -99.3611 -102.181 -123.787 -102.181 189.743 4.90785 -123.788 4.90656 -156.579 GPRESSURE: 1701800 -59.2168 -62.3279 -153.761 -9.18527 267.26 -20.2825 -117.319 3.96697 -180.75 PRESSAVG: 1701800 -40.6021 9.98622 -52.37 9.98618 36.1701 -2.70199 -52.3698 -2.70187 -42.2586 GPRESSAVG: 1701800 -39.8783 10.6216 -51.9366 8.0305 35.7469 -3.24334 -53.7422 -1.79008 -42.2925 TIMING: 1701800 CPU: 5081.5, 0.00298596/step Wall: 5081.5, 0.00298596/step, 2.73564 hours remaining, 206.562500 MB of memory in use. ENERGY: 1701800 719.1195 2075.1430 1920.3462 115.7476 -206303.0735 17892.9420 0.0000 0.0000 34184.9757 -149394.7996 298.5459 -183579.7752 -149303.1542 298.5060 -22.0656 9.0978 556736.5207 -15.5636 -15.4746 PRESSURE: 1702000 142.875 104.792 146.297 104.792 139.598 48.7825 146.296 48.7847 -83.6147 GPRESSURE: 1702000 156.918 75.1547 128.406 50.2189 128.197 57.6003 41.1033 88.2144 4.81933 PRESSAVG: 1702000 -8.10162 6.71175 6.44122 6.71179 41.7343 22.9485 6.44115 22.9486 -12.5399 GPRESSAVG: 1702000 -9.50648 6.84523 6.91544 8.74659 42.4783 22.074 6.50011 25.2877 -11.7345 TIMING: 1702000 CPU: 5082.1, 0.0029851/step Wall: 5082.1, 0.0029851/step, 2.73469 hours remaining, 206.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1702000 749.7882 2084.6940 1931.8402 123.3435 -206871.3911 18106.6118 0.0000 0.0000 34429.2318 -149445.8817 300.6790 -183875.1135 -149347.2756 299.0221 66.2864 96.6448 556130.3158 7.0309 7.0791 PRESSURE: 1702200 39.6282 -17.4249 -99.4408 -17.4247 10.6227 -10.6324 -99.4417 -10.6327 71.5805 GPRESSURE: 1702200 62.2222 -15.6409 -121.173 -84.8545 57.4948 31.0842 -90.3714 -36.2509 103.168 PRESSAVG: 1702200 23.7613 -7.21505 0.756975 -7.21507 -10.5233 43.3724 0.75686 43.3725 -31.2516 GPRESSAVG: 1702200 23.6027 -6.42693 0.121849 -7.62706 -10.0143 44.6067 1.51302 40.1528 -31.0285 TIMING: 1702200 CPU: 5082.7, 0.00298933/step Wall: 5082.7, 0.00298933/step, 2.73839 hours remaining, 206.562500 MB of memory in use. ENERGY: 1702200 754.2726 2124.8335 1969.2027 110.5903 -206486.6994 18003.3701 0.0000 0.0000 34162.6042 -149361.8261 298.3505 -183524.4303 -149270.4655 298.9601 40.6105 74.2949 557456.9213 -6.0045 -5.8134 PRESSURE: 1702400 -164.099 146.201 -42.0918 146.202 -133.571 -233.092 -42.0923 -233.092 -286.022 GPRESSURE: 1702400 -190.788 148.68 -49.3087 123.637 -122.469 -206.035 -89.6921 -251.391 -172.63 PRESSAVG: 1702400 -4.47915 18.2976 -30.7138 18.2975 -21.6478 3.99912 -30.7139 3.99912 35.7919 GPRESSAVG: 1702400 -3.76183 17.3546 -30.9071 16.7038 -22.421 1.80288 -32.0142 6.61806 35.5258 TIMING: 1702400 CPU: 5083.29, 0.00297143/step Wall: 5083.29, 0.00297143/step, 2.72183 hours remaining, 206.562500 MB of memory in use. ENERGY: 1702400 753.5613 2076.9978 1933.4883 115.8144 -205703.3552 17464.7556 0.0000 0.0000 34015.6218 -149343.1159 297.0669 -183358.7378 -149250.3471 298.5558 -194.5641 -161.9625 556731.2920 3.2217 3.1143 PRESSURE: 1702600 -1.98225 -88.9369 -108.241 -88.9363 186.744 -139.839 -108.241 -139.838 -193.014 GPRESSURE: 1702600 15.1424 -78.6262 -76.5917 -52.4957 202.545 -168.173 -83.4562 -63.5255 -133.299 PRESSAVG: 1702600 -27.6094 70.2436 -25.4397 70.2436 51.8666 -45.2441 -25.4398 -45.2441 -12.7416 GPRESSAVG: 1702600 -26.8469 70.5203 -27.1242 69.0778 51.3256 -45.4852 -24.6648 -46.409 -12.8944 TIMING: 1702600 CPU: 5083.89, 0.0029778/step Wall: 5083.89, 0.0029778/step, 2.7275 hours remaining, 206.562500 MB of memory in use. ENERGY: 1702600 720.6200 2111.8253 1966.9124 102.2813 -206190.2928 17710.0032 0.0000 0.0000 34286.1537 -149292.4969 299.4295 -183578.6506 -149194.1405 298.6888 -2.7508 28.1293 557242.7869 3.8386 3.8614 PRESSURE: 1702800 121.074 -152.039 -87.3204 -152.038 199.59 -40.8143 -87.3203 -40.8164 259.943 GPRESSURE: 1702800 228.893 -106.47 -108.821 -145.444 188.989 14.2806 -20.5214 -69.2157 265.124 PRESSAVG: 1702800 -60.8815 2.1625 32.1803 2.16251 4.19097 9.53466 32.1802 9.5348 44.4898 GPRESSAVG: 1702800 -59.4512 2.86224 34.1618 2.0364 3.10184 10.6147 34.9273 8.73413 43.6656 TIMING: 1702800 CPU: 5084.48, 0.00298728/step Wall: 5084.48, 0.00298728/step, 2.73601 hours remaining, 206.562500 MB of memory in use. ENERGY: 1702800 728.0741 2057.3841 1938.8397 117.3476 -206354.2309 18082.9990 0.0000 0.0000 34090.4059 -149339.1804 297.7200 -183429.5863 -149252.1195 299.1476 193.5357 227.6689 557626.5245 -4.0669 -4.2279 PRESSURE: 1703000 41.3935 -183.111 -99.8857 -183.113 121.825 -28.5916 -99.8854 -28.5914 -167.989 GPRESSURE: 1703000 47.9534 -229.147 -127.905 -94.2194 222.444 -42.3218 -142.401 21.6165 -168.51 PRESSAVG: 1703000 -10.7235 -16.9983 10.7571 -16.9983 -11.5631 39.9115 10.7572 39.9115 0.241406 GPRESSAVG: 1703000 -12.474 -18.0385 10.1233 -14.7459 -10.4192 39.5312 8.57374 40.5481 0.548253 TIMING: 1703000 CPU: 5085.08, 0.00298812/step Wall: 5085.08, 0.00298812/step, 2.73662 hours remaining, 206.562500 MB of memory in use. ENERGY: 1703000 725.8388 2079.5321 1927.4031 107.2034 -206022.7526 17919.7693 0.0000 0.0000 33899.7772 -149363.2285 296.0552 -183263.0057 -149268.4854 299.1005 -1.5901 33.9626 559057.2923 -7.3484 -7.4483 PRESSURE: 1703200 74.3175 31.9332 14.6606 31.9332 156.629 15.0938 14.6605 15.0938 -14.787 GPRESSURE: 1703200 50.8733 49.1281 -21.0991 30.6242 212.725 -14.5618 18.8601 29.4943 55.8289 PRESSAVG: 1703200 -11.574 0.156712 10.4952 0.15672 9.40483 -14.2733 10.4952 -14.2733 3.6748 GPRESSAVG: 1703200 -10.883 1.78768 9.94044 -0.808738 8.667 -13.5178 10.8359 -16.0014 3.3888 TIMING: 1703200 CPU: 5085.68, 0.00298413/step Wall: 5085.68, 0.00298413/step, 2.7328 hours remaining, 206.562500 MB of memory in use. ENERGY: 1703200 737.9027 2118.5745 1933.3968 109.6666 -206352.8085 17829.7762 0.0000 0.0000 34156.1599 -149467.3317 298.2942 -183623.4916 -149365.3315 298.6422 72.0533 106.4757 557172.9379 0.5019 0.3909 PRESSURE: 1703400 -302.437 -106.615 -18.858 -106.615 15.1833 -1.85214 -18.858 -1.85305 -198.894 GPRESSURE: 1703400 -207.512 -111.915 58.1509 -105.379 9.97617 124.565 -84.7455 -21.5812 -186.135 PRESSAVG: 1703400 -41.2486 -55.0933 -2.90223 -55.0933 42.4867 8.19608 -2.9022 8.19605 0.638349 GPRESSAVG: 1703400 -42.3147 -58.0856 -3.68954 -54.5498 43.6558 8.20313 -2.56754 10.892 1.26298 TIMING: 1703400 CPU: 5086.27, 0.00298472/step Wall: 5086.27, 0.00298472/step, 2.73317 hours remaining, 206.562500 MB of memory in use. ENERGY: 1703400 700.5729 2178.9903 1920.8174 110.6456 -205937.8830 17418.2061 0.0000 0.0000 34033.0708 -149575.5800 297.2193 -183608.6508 -149478.1002 298.8202 -162.0491 -127.8904 557355.4721 0.6255 0.8680 PRESSURE: 1703600 93.2297 28.2757 -191.628 28.2758 105.571 34.2217 -191.629 34.2207 -22.7959 GPRESSURE: 1703600 86.752 -47.0617 -214.632 45.5653 156.414 40.3438 -108.83 21.3792 33.917 PRESSAVG: 1703600 -36.9386 -9.79412 4.94106 -9.79411 69.4063 20.1274 4.94107 20.1274 -56.5294 GPRESSAVG: 1703600 -36.6825 -8.16854 5.3025 -7.93654 68.431 19.931 5.8018 19.2195 -55.4086 TIMING: 1703600 CPU: 5086.87, 0.00297651/step Wall: 5086.87, 0.00297651/step, 2.72549 hours remaining, 206.562500 MB of memory in use. ENERGY: 1703600 728.8438 2122.9855 1916.8512 123.6808 -206804.0113 18030.3818 0.0000 0.0000 34347.5209 -149533.7474 299.9654 -183881.2683 -149437.7899 298.8284 58.6683 92.3609 557084.1141 -8.0206 -7.8867 PRESSURE: 1703800 -242.233 12.6143 162.044 12.6144 -283.281 244.779 162.044 244.779 -128.107 GPRESSURE: 1703800 -181.207 -18.1565 128.142 35.003 -244.686 221.317 163.302 256.1 -125.969 PRESSAVG: 1703800 -52.7359 1.48331 46.7985 1.48323 27.6186 -1.70413 46.7985 -1.70423 6.50197 GPRESSAVG: 1703800 -52.792 2.71922 47.1512 -0.0767863 27.6569 -3.67764 46.8905 -1.51812 6.79311 TIMING: 1703800 CPU: 5087.47, 0.00298449/step Wall: 5087.47, 0.00298449/step, 2.73263 hours remaining, 206.562500 MB of memory in use. ENERGY: 1703800 772.9560 2077.3666 1955.9825 99.4759 -206098.0357 17597.8344 0.0000 0.0000 34215.1802 -149379.2401 298.8097 -183594.4203 -149281.2938 299.0714 -217.8739 -183.9542 556999.1622 -6.2051 -6.1140 PRESSURE: 1704000 115.374 22.6767 10.6555 22.6772 -34.3247 103.126 10.6559 103.126 -65.2528 GPRESSURE: 1704000 132.722 52.8883 70.8663 -45.2493 36.1043 25.7361 -77.607 41.7845 -43.7725 PRESSAVG: 1704000 -4.15649 -30.0421 4.21163 -30.0421 5.88242 23.1587 4.21159 23.1587 -20.4627 GPRESSAVG: 1704000 -4.44842 -33.6263 4.61567 -28.5522 5.88236 23.6175 2.05779 23.6601 -20.1985 TIMING: 1704000 CPU: 5088.06, 0.00298148/step Wall: 5088.06, 0.00298148/step, 2.72971 hours remaining, 206.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1704000 755.8018 2164.1900 1963.0291 118.8736 -206256.0063 17735.8457 0.0000 0.0000 34096.5668 -149421.6991 297.7738 -183518.2660 -149317.6868 299.0466 5.2654 41.6844 556912.8228 -6.2456 -6.2549 PRESSURE: 1704200 41.7143 122.51 -3.08477 122.509 -89.505 249.384 -3.08491 249.384 216.592 GPRESSURE: 1704200 37.7718 84.5464 -54.6162 120.572 -16.8951 312.001 -11.1789 121.235 251.648 PRESSAVG: 1704200 60.3509 30.0236 -57.7627 30.0236 -34.605 54.6227 -57.7627 54.6227 -50.6165 GPRESSAVG: 1704200 60.8829 32.2867 -57.6626 28.0063 -35.1058 55.7163 -57.4039 53.9262 -50.5324 TIMING: 1704200 CPU: 5088.67, 0.00304485/step Wall: 5088.67, 0.00304485/step, 2.78756 hours remaining, 206.562500 MB of memory in use. ENERGY: 1704200 801.8059 2058.9852 1947.8089 122.6277 -206720.8896 17981.5190 0.0000 0.0000 34330.3874 -149477.7555 299.8158 -183808.1429 -149380.0098 299.4503 56.2671 90.8416 555582.2165 -8.2902 -8.2518 LDB: ============= START OF LOAD BALANCING ============== 5092.22 LDB: ============== END OF LOAD BALANCING =============== 5092.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5092.23 LDB: ============= START OF LOAD BALANCING ============== 5092.53 LDB: Largest compute 4772 load 0.026903 is 22.8% of average load 0.118184 LDB: Average compute 0.001715 is 1.5% of average load 0.118184 LDB: TIME 5092.53 LOAD: AVG 0.118184 MAX 0.211784 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.691 MB LDB: TIME 5092.53 LOAD: AVG 0.118184 MAX 0.211784 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 5092.53 LOAD: AVG 0.118184 MAX 0.211784 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5092.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5092.53 PRESSURE: 1704400 -90.173 -20.6275 41.031 -20.628 55.5154 107.495 41.0301 107.496 70.1879 GPRESSURE: 1704400 -10.7004 -25.3828 75.7983 113.396 59.9247 122.705 -32.1865 83.7797 71.6005 PRESSAVG: 1704400 28.0173 -7.12439 -0.0507758 -7.12441 -13.8745 26.701 -0.0506788 26.7009 -8.94369 GPRESSAVG: 1704400 28.2122 -9.28275 1.28067 -5.57387 -13.6104 26.3454 0.285208 28.5051 -9.2642 TIMING: 1704400 CPU: 5089.28, 0.00306132/step Wall: 5089.28, 0.00306132/step, 2.80247 hours remaining, 207.523438 MB of memory in use. ENERGY: 1704400 762.2148 2062.1571 1939.7365 108.0881 -206452.7407 17818.7541 0.0000 0.0000 34348.6247 -149413.1656 299.9751 -183761.7902 -149311.7929 299.2758 11.8434 40.2749 556997.3499 1.7331 1.7792 PRESSURE: 1704600 -258.824 71.63 57.9095 71.6298 -207.751 -50.9728 57.9091 -50.9733 -83.7747 GPRESSURE: 1704600 -266.585 31.1569 40.5516 79.4117 -159.582 37.6537 -57.1939 -50.4394 -29.0198 PRESSAVG: 1704600 9.64008 -21.105 -36.7569 -21.105 16.2614 26.978 -36.757 26.9781 -57.8074 GPRESSAVG: 1704600 9.60259 -19.541 -36.4186 -22.9201 18.2165 26.7275 -35.9633 25.7092 -58.9388 TIMING: 1704600 CPU: 5089.88, 0.00298941/step Wall: 5089.88, 0.00298941/step, 2.73647 hours remaining, 207.523438 MB of memory in use. ENERGY: 1704600 760.9049 2069.2194 1920.0939 109.0039 -206086.0612 17576.5136 0.0000 0.0000 34183.3697 -149466.9558 298.5319 -183650.3255 -149367.0406 299.6640 -183.4500 -151.7288 556684.9121 -10.6353 -10.3733 PRESSURE: 1704800 -129.273 -3.85423 53.8319 -3.85495 152.496 72.148 53.8324 72.1486 2.81158 GPRESSURE: 1704800 -58.3879 28.2017 122.988 35.992 110.219 88.6633 41.6818 31.624 76.6204 PRESSAVG: 1704800 34.2265 60.3584 -45.9788 60.3584 37.8048 15.4221 -45.9788 15.4221 -49.1078 GPRESSAVG: 1704800 34.5606 60.6148 -46.42 58.857 36.2066 15.7581 -46.71 16.4881 -48.0435 TIMING: 1704800 CPU: 5090.48, 0.00299642/step Wall: 5090.48, 0.00299642/step, 2.74273 hours remaining, 207.523438 MB of memory in use. ENERGY: 1704800 752.7945 2065.1647 1943.9729 118.6437 -206203.3578 17745.9748 0.0000 0.0000 34066.0441 -149510.7631 297.5072 -183576.8072 -149410.7536 298.4088 8.6781 42.8171 556263.5389 7.6412 7.5746 PRESSURE: 1705000 -110.201 42.0305 -44.9157 42.0303 -15.6377 101.484 -44.9135 101.485 6.26287 GPRESSURE: 1705000 -33.342 35.1551 -37.6571 48.5755 17.6888 48.3472 25.6556 203.017 8.32718 PRESSAVG: 1705000 -22.6008 -4.07585 -33.2693 -4.07585 28.5145 -19.4816 -33.2692 -19.4817 9.74053 GPRESSAVG: 1705000 -23.0679 -6.90767 -33.779 -2.14059 28.4921 -18.845 -33.3847 -21.5313 10.5493 TIMING: 1705000 CPU: 5091.08, 0.0029867/step Wall: 5091.08, 0.0029867/step, 2.73366 hours remaining, 207.523438 MB of memory in use. ENERGY: 1705000 762.0391 2110.5556 1919.3534 109.5043 -206464.6037 17829.4070 0.0000 0.0000 34164.9651 -149568.7794 298.3711 -183733.7445 -149470.2655 298.5020 -39.8586 -2.4420 556460.5960 5.2181 5.3245 PRESSURE: 1705200 -87.7536 -78.2026 -32.5776 -78.2041 -23.0162 -119.083 -32.5784 -119.081 -67.4536 GPRESSURE: 1705200 -97.1337 -134.865 -61.3595 -23.7137 53.3004 -84.7932 4.04291 -139.675 -40.9061 PRESSAVG: 1705200 -13.4061 8.1088 -49.6256 8.10894 142.372 -18.7192 -49.6256 -18.7191 -101.885 GPRESSAVG: 1705200 -13.3343 10.7336 -49.7349 7.01457 142.443 -19.0785 -50.0312 -18.8197 -101.755 TIMING: 1705200 CPU: 5091.68, 0.00300523/step Wall: 5091.68, 0.00300523/step, 2.75045 hours remaining, 207.523438 MB of memory in use. ENERGY: 1705200 748.1801 2103.7317 1941.1861 108.8878 -206314.8856 17730.7447 0.0000 0.0000 34018.5087 -149663.6466 297.0921 -183682.1552 -149569.8750 297.3775 -59.4078 -28.2465 557602.9611 9.0270 9.1178 PRESSURE: 1705400 -4.39563 -101.533 47.8095 -101.532 10.8058 -30.5804 47.8092 -30.5796 -358.926 GPRESSURE: 1705400 18.1399 -95.6879 8.89167 -36.6955 29.163 79.2601 110.375 -92.4309 -306.274 PRESSAVG: 1705400 -19.3047 7.38893 -16.2166 7.3889 17.6241 -68.3314 -16.2166 -68.3315 -35.4912 GPRESSAVG: 1705400 -19.3764 6.9361 -17.6015 7.95392 18.8872 -66.5523 -13.8154 -66.7321 -36.2694 TIMING: 1705400 CPU: 5092.28, 0.0029784/step Wall: 5092.28, 0.0029784/step, 2.72573 hours remaining, 207.523438 MB of memory in use. ENERGY: 1705400 745.2517 2050.6248 1941.3783 111.1828 -206702.5775 17917.4564 0.0000 0.0000 34111.0029 -149825.6806 297.8999 -183936.6834 -149728.3619 297.3390 -117.5054 -86.3236 557291.1282 -12.3906 -12.2529 PRESSURE: 1705600 184.768 -28.7928 -24.2499 -28.793 -226.268 -75.1682 -24.2502 -75.1695 -37.8998 GPRESSURE: 1705600 215.657 80.7243 -48.1303 -79.84 -218.878 -108.732 -85.1186 -10.6585 18.0141 PRESSAVG: 1705600 24.6358 21.2868 -4.37503 21.2868 -17.804 -12.0117 -4.37509 -12.0117 4.71926 GPRESSAVG: 1705600 24.8221 21.0669 -5.35604 21.0121 -18.4772 -13.4839 -6.58724 -11.6852 4.96214 TIMING: 1705600 CPU: 5092.87, 0.00299198/step Wall: 5092.87, 0.00299198/step, 2.73799 hours remaining, 207.523438 MB of memory in use. ENERGY: 1705600 751.1734 2030.5872 1943.6741 113.3852 -206591.9491 17905.1566 0.0000 0.0000 34059.7186 -149788.2540 297.4520 -183847.9725 -149689.4884 297.6309 -26.4667 4.9311 557123.3843 3.8504 3.7690 PRESSURE: 1705800 107.63 51.0719 163.515 51.0726 189.752 -180.094 163.514 -180.094 76.4001 GPRESSURE: 1705800 152.329 96.7405 122.585 -58.1428 164.818 -86.439 160.606 -214.245 146.406 PRESSAVG: 1705800 62.0457 13.1632 10.6636 13.1632 -25.9039 18.9354 10.6635 18.9354 -18.6458 GPRESSAVG: 1705800 62.7413 13.272 12.1191 14.9637 -26.5395 17.0904 12.7001 18.442 -18.3384 TIMING: 1705800 CPU: 5093.48, 0.00302453/step Wall: 5093.48, 0.00302453/step, 2.76761 hours remaining, 207.523438 MB of memory in use. ENERGY: 1705800 746.1525 2074.2575 1949.5332 105.3357 -206811.9114 18033.4077 0.0000 0.0000 34217.2111 -149686.0138 298.8274 -183903.2248 -149590.1670 297.0303 124.5941 154.5178 556103.8261 5.8320 5.9545 PRESSURE: 1706000 155.123 -198.479 -141.727 -198.479 -101.096 -93.299 -141.727 -93.2976 -190.32 GPRESSURE: 1706000 106.349 -126.152 -99.4768 -189.539 -76.115 -87.5045 -160.951 -173.864 -70.0723 PRESSAVG: 1706000 -10.9454 -38.9403 -13.1485 -38.9403 -33.1705 49.02 -13.1485 49.02 55.547 GPRESSAVG: 1706000 -12.3716 -36.2346 -11.4112 -41.4342 -31.0617 49.2761 -15.825 49.5873 54.6882 TIMING: 1706000 CPU: 5094.08, 0.00299784/step Wall: 5094.08, 0.00299784/step, 2.74303 hours remaining, 207.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1706000 729.6467 2082.1797 1926.8205 108.7797 -206391.3108 17671.5220 0.0000 0.0000 34161.9557 -149710.4065 298.3449 -183872.3622 -149611.3672 297.4465 -45.4311 -13.2795 556634.5161 3.8104 3.7516 PRESSURE: 1706200 -307.5 -55.0978 -12.4308 -55.0979 23.9049 -145.018 -12.4304 -145.019 -421.051 GPRESSURE: 1706200 -280.057 -112.674 68.3113 -74.4493 62.6635 -90.0001 -72.8009 -134.784 -394.679 PRESSAVG: 1706200 1.25724 -28.6551 10.4241 -28.6551 68.0287 -39.9806 10.4242 -39.9806 -64.6853 GPRESSAVG: 1706200 2.62129 -30.405 7.90758 -26.5151 65.3999 -36.8767 11.3497 -40.1636 -63.1922 TIMING: 1706200 CPU: 5094.68, 0.00298255/step Wall: 5094.68, 0.00298255/step, 2.72887 hours remaining, 207.523438 MB of memory in use. ENERGY: 1706200 753.8996 2081.5414 1949.2328 111.8809 -206403.4365 17556.4037 0.0000 0.0000 34187.4715 -149763.0066 298.5677 -183950.4781 -149662.8463 297.8614 -234.8822 -204.0242 556704.8760 1.5335 1.6097 PRESSURE: 1706400 -40.4291 -26.1408 50.7296 -26.1403 24.5305 20.6713 50.7296 20.6708 -129.018 GPRESSURE: 1706400 -48.1194 -99.2897 31.3781 -24.7218 119.041 -8.77697 -1.86849 45.289 -116.883 PRESSAVG: 1706400 61.9542 -30.4045 23.1527 -30.4044 -17.365 -26.8379 23.1527 -26.8379 -6.78761 GPRESSAVG: 1706400 62.0137 -29.712 21.4002 -31.7985 -15.9805 -26.8884 24.5868 -26.5006 -8.89309 TIMING: 1706400 CPU: 5095.27, 0.00298769/step Wall: 5095.27, 0.00298769/step, 2.73341 hours remaining, 207.523438 MB of memory in use. ENERGY: 1706400 748.9566 2086.8850 1945.9674 105.6926 -206602.8970 17892.5043 0.0000 0.0000 34004.3663 -149818.5249 296.9686 -183822.8912 -149722.1557 297.9748 -48.3057 -15.3205 556385.4083 12.6005 12.3800 PRESSURE: 1706600 79.8735 -47.0382 60.9944 -47.0369 191.552 150.314 60.9949 150.315 102.022 GPRESSURE: 1706600 156.103 36.3478 136.391 -99.8329 226.603 128.418 16.0698 99.5446 95.7547 PRESSAVG: 1706600 59.4775 -29.1889 -39.4289 -29.1888 31.4066 -3.6642 -39.4289 -3.66415 -64.8404 GPRESSAVG: 1706600 57.4572 -30.0547 -36.0882 -29.487 30.8944 -5.03866 -39.8129 -3.47827 -62.8622 TIMING: 1706600 CPU: 5095.87, 0.00299397/step Wall: 5095.87, 0.00299397/step, 2.73898 hours remaining, 207.781250 MB of memory in use. ENERGY: 1706600 755.9001 2086.7178 1933.5025 102.0379 -206866.8736 18105.6173 0.0000 0.0000 34234.8813 -149648.2167 298.9817 -183883.0979 -149542.3944 297.9692 124.4826 159.4868 557211.2137 8.6812 8.4965 PRESSURE: 1706800 -49.9956 -96.674 9.79006 -96.6741 64.1117 -18.329 9.79017 -18.3298 28.3736 GPRESSURE: 1706800 -59.0628 -35.4544 79.5029 -95.3722 102.692 -25.1719 -14.9178 -48.9993 88.7297 PRESSAVG: 1706800 -60.1668 -29.7364 -8.00201 -29.7364 50.7706 -40.0851 -8.00202 -40.0851 16.1177 GPRESSAVG: 1706800 -59.393 -28.8036 -7.83764 -26.7329 50.6255 -41.9713 -9.59839 -38.6251 15.3546 TIMING: 1706800 CPU: 5096.47, 0.00298048/step Wall: 5096.47, 0.00298048/step, 2.72648 hours remaining, 207.781250 MB of memory in use. ENERGY: 1706800 745.6845 2041.2512 1939.2191 115.6644 -206640.2312 17927.5535 0.0000 0.0000 34168.6511 -149702.2074 298.4033 -183870.8585 -149612.7946 298.2179 14.1632 44.1197 556984.0553 2.2405 2.1957 PRESSURE: 1707000 -36.3145 80.1371 33.0039 80.1365 49.2882 -90.1025 33.004 -90.1026 -224.356 GPRESSURE: 1707000 -23.681 98.1639 35.4092 87.6847 83.0097 -134.929 84.5918 -58.9319 -167.554 PRESSAVG: 1707000 -40.6593 -11.9128 1.60697 -11.9127 92.5072 4.82186 1.60694 4.82185 -54.5974 GPRESSAVG: 1707000 -39.6954 -12.3775 -1.60007 -12.8482 92.9879 7.13219 2.28016 3.10911 -55.8648 TIMING: 1707000 CPU: 5097.06, 0.00297015/step Wall: 5097.06, 0.00297015/step, 2.71686 hours remaining, 207.781250 MB of memory in use. ENERGY: 1707000 741.6980 2144.3097 1961.1718 113.9622 -206333.6987 17895.3793 0.0000 0.0000 33928.0632 -149549.1146 296.3022 -183477.1778 -149453.2810 297.4653 -70.4609 -36.0751 558645.0629 -0.9165 -0.8574 PRESSURE: 1707200 201.848 -95.5451 33.04 -95.5435 -22.8521 18.8994 33.0414 18.8994 81.225 GPRESSURE: 1707200 250.214 -104.626 -31.8162 -129.921 59.1526 5.35598 90.3584 -12.5959 56.0206 PRESSAVG: 1707200 -7.08415 -13.7562 21.8174 -13.7562 49.4982 16.509 21.8174 16.5088 -68.2067 GPRESSAVG: 1707200 -7.90941 -13.4196 22.7187 -13.8192 49.9429 17.9388 23.9248 16.1078 -68.0724 TIMING: 1707200 CPU: 5097.66, 0.0029669/step Wall: 5097.66, 0.0029669/step, 2.71372 hours remaining, 207.781250 MB of memory in use. ENERGY: 1707200 759.8213 2098.8712 1940.9864 128.7349 -206654.2472 18108.1820 0.0000 0.0000 34197.0038 -149420.6477 298.6509 -183617.6515 -149333.5678 298.3897 86.7404 121.7956 557865.5612 -8.5976 -8.6797 PRESSURE: 1707400 -38.0841 -54.1754 71.9485 -54.177 -190.543 -14.4283 71.9488 -14.4272 86.7047 GPRESSURE: 1707400 2.67013 -159.204 30.3377 -59.1491 -143.996 -42.3272 81.8061 -129.976 95.9877 PRESSAVG: 1707400 -6.70558 30.7578 36.4526 30.7578 0.232531 -18.0709 36.4526 -18.0708 57.8293 GPRESSAVG: 1707400 -6.74084 31.9328 36.5758 30.3378 0.263356 -20.5598 34.7225 -17.9151 57.8626 TIMING: 1707400 CPU: 5098.25, 0.00297651/step Wall: 5098.25, 0.00297651/step, 2.72235 hours remaining, 207.781250 MB of memory in use. ENERGY: 1707400 760.6924 2073.4816 1945.2366 105.4221 -206274.8270 17813.3581 0.0000 0.0000 34175.9979 -149400.6382 298.4675 -183576.6361 -149298.6905 298.6470 -47.3076 -15.1128 559037.1254 17.1188 17.1284 PRESSURE: 1707600 -77.6484 111.905 49.3705 111.905 -158.516 -72.3118 49.3723 -72.3113 89.6589 GPRESSURE: 1707600 -47.3865 25.4334 46.0378 212.891 -121.552 -2.04124 55.5978 -44.9649 105.37 PRESSAVG: 1707600 -8.18058 66.4852 45.6111 66.4851 -59.9113 -50.1184 45.6112 -50.1183 64.8712 GPRESSAVG: 1707600 -7.94618 65.9267 45.0625 66.9163 -61.3141 -49.6531 46.2827 -49.533 66.2925 TIMING: 1707600 CPU: 5098.85, 0.00298997/step Wall: 5098.85, 0.00298997/step, 2.73449 hours remaining, 207.781250 MB of memory in use. ENERGY: 1707600 771.0305 2076.1583 1943.7595 137.8538 -206446.9636 17728.7366 0.0000 0.0000 34387.9867 -149401.4383 300.3188 -183789.4249 -149305.2128 299.2521 -48.8352 -21.1897 556831.7106 -1.0735 -0.9893 PRESSURE: 1707800 -56.8752 192.993 -217.627 192.993 180.864 46.644 -217.627 46.6437 240.299 GPRESSURE: 1707800 -4.85597 176.353 -245.332 173.397 194.327 25.2713 -184.256 69.1744 262.205 PRESSAVG: 1707800 65.8891 37.8142 -20.5111 37.8141 -38.9849 -68.312 -20.5111 -68.312 0.845024 GPRESSAVG: 1707800 65.6417 37.3407 -19.9388 36.5221 -37.7401 -66.7295 -21.8802 -69.2933 -0.112225 TIMING: 1707800 CPU: 5099.44, 0.00297791/step Wall: 5099.44, 0.00297791/step, 2.7233 hours remaining, 207.781250 MB of memory in use. ENERGY: 1707800 728.3330 2108.8780 1949.9394 122.5588 -206465.9587 17872.1306 0.0000 0.0000 34213.9083 -149470.2105 298.7986 -183684.1188 -149371.5129 298.4863 121.4295 150.5588 556740.4651 9.2497 9.2631 PRESSURE: 1708000 -175.531 144.782 -25.2279 144.783 123.967 45.7634 -25.2277 45.7613 -197.097 GPRESSURE: 1708000 -164.067 99.4655 -16.4158 186.53 90.3854 37.1221 23.9181 15.6137 -84.8995 PRESSAVG: 1708000 13.821 -7.95249 15.1245 -7.9525 -25.3353 -25.7066 15.1244 -25.7067 -20.3938 GPRESSAVG: 1708000 14.258 -6.5686 14.9001 -8.82708 -25.6951 -25.8628 17.397 -26.5075 -19.9522 TIMING: 1708000 CPU: 5100.04, 0.00300235/step Wall: 5100.04, 0.00300235/step, 2.74549 hours remaining, 207.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1708000 747.8397 2121.8193 1929.2723 111.9891 -206052.8860 17707.4526 0.0000 0.0000 34023.8257 -149410.6874 297.1385 -183434.5131 -149321.3219 298.6531 -82.8869 -52.8604 557343.3365 -10.6360 -10.4631 PRESSURE: 1708200 -127.705 154.68 56.4397 154.68 -128.959 -96.3448 56.4399 -96.3426 -71.6097 GPRESSURE: 1708200 -75.4241 117.384 38.3437 75.157 -125.443 -9.68015 21.0484 -80.6308 -27.3594 PRESSAVG: 1708200 -9.04759 -9.01004 9.89353 -9.00996 27.7072 -15.6363 9.89341 -15.6363 -27.6044 GPRESSAVG: 1708200 -10.361 -11.2936 10.8954 -8.15559 29.2745 -17.15 7.08831 -14.2903 -27.7186 TIMING: 1708200 CPU: 5100.64, 0.00300191/step Wall: 5100.64, 0.00300191/step, 2.74491 hours remaining, 207.781250 MB of memory in use. ENERGY: 1708200 781.0896 2126.8186 1927.8204 108.8446 -206152.9853 17681.9854 0.0000 0.0000 34112.2339 -149414.1928 297.9106 -183526.4267 -149323.5990 299.3839 -109.4246 -76.0755 555656.0562 -2.9816 -2.9350 LDB: ============= START OF LOAD BALANCING ============== 5104.19 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5104.19 LDB: =============== DONE WITH MIGRATION ================ 5104.2 LDB: ============= START OF LOAD BALANCING ============== 5104.49 LDB: Largest compute 4796 load 0.026898 is 22.7% of average load 0.118368 LDB: Average compute 0.001728 is 1.5% of average load 0.118368 LDB: TIME 5104.5 LOAD: AVG 0.118368 MAX 0.214116 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.793 MB LDB: TIME 5104.5 LOAD: AVG 0.118368 MAX 0.214116 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.793 MB LDB: TIME 5104.5 LOAD: AVG 0.118368 MAX 0.214116 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.793 MB LDB: ============== END OF LOAD BALANCING =============== 5104.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5104.5 PRESSURE: 1708400 24.9153 108.076 199.629 108.076 -139.598 -45.0972 199.629 -45.0959 -14.9592 GPRESSURE: 1708400 43.7493 57.3624 179.851 160.504 -86.3594 -2.3073 239.439 -126.652 8.21144 PRESSAVG: 1708400 70.7157 3.39157 52.8829 3.39152 -48.6541 8.72425 52.8828 8.72424 18.4947 GPRESSAVG: 1708400 71.0894 4.73047 52.5515 3.99161 -48.4296 10.4451 54.0352 6.96678 18.3223 TIMING: 1708400 CPU: 5101.25, 0.00304092/step Wall: 5101.25, 0.00304092/step, 2.78042 hours remaining, 206.476562 MB of memory in use. ENERGY: 1708400 725.1110 2076.2226 1932.4022 117.7456 -206216.0258 17772.0396 0.0000 0.0000 34222.0338 -149370.4710 298.8695 -183592.5048 -149274.7583 299.2816 -43.2140 -11.4662 556869.0974 13.5188 13.6607 PRESSURE: 1708600 -161.029 70.2592 -51.5778 70.2587 -158.262 178.768 -51.5781 178.769 -360.54 GPRESSURE: 1708600 -122.477 -8.07241 -48.7977 118.808 -170.24 103.014 23.7559 256.228 -296.441 PRESSAVG: 1708600 95.3872 -44.9081 23.6947 -44.9081 -49.9051 31.47 23.6947 31.4698 -41.1782 GPRESSAVG: 1708600 95.6684 -46.8231 23.7369 -44.731 -50.8923 30.1279 24.4305 33.0482 -40.8708 TIMING: 1708600 CPU: 5101.85, 0.00301016/step Wall: 5101.85, 0.00301016/step, 2.75212 hours remaining, 206.476562 MB of memory in use. ENERGY: 1708600 752.9619 2154.6269 1926.6009 115.5809 -206382.1322 17524.2769 0.0000 0.0000 34448.7444 -149459.3403 300.8495 -183908.0847 -149358.3062 299.7034 -226.6102 -196.3861 556648.8925 1.4346 1.3018 PRESSURE: 1708800 -219.945 66.2129 174.923 66.2134 -124.76 -78.4775 174.924 -78.477 30.804 GPRESSURE: 1708800 -138.518 10.5863 250.976 54.5633 -75.2298 -174.276 197.909 -46.2192 -0.089702 PRESSAVG: 1708800 2.75561 -42.3636 32.4757 -42.3636 -44.8642 48.1338 32.4758 48.1338 27.4834 GPRESSAVG: 1708800 3.02556 -43.6307 34.065 -42.7201 -45.8295 48.953 31.4021 46.0493 28.3024 TIMING: 1708800 CPU: 5102.46, 0.00303558/step Wall: 5102.46, 0.00303558/step, 2.7752 hours remaining, 206.679688 MB of memory in use. ENERGY: 1708800 755.8625 2090.9147 1929.5434 100.1911 -206168.4753 17714.0602 0.0000 0.0000 34088.8830 -149489.0205 297.7067 -183577.9035 -149394.5109 298.4085 -104.6339 -71.2791 558034.2070 -4.8751 -4.8339 PRESSURE: 1709000 106.112 -83.0891 -50.4959 -83.0891 89.6496 67.6295 -50.4961 67.6302 116.054 GPRESSURE: 1709000 193.763 -83.7284 10.3535 -53.0273 67.0423 74.0655 -95.8144 103.313 144.501 PRESSAVG: 1709000 42.3533 0.472126 65.9362 0.472172 -30.8828 -29.8597 65.9362 -29.8597 2.43196 GPRESSAVG: 1709000 41.3975 2.01063 65.0696 1.90933 -29.9752 -30.1239 64.4506 -28.5956 2.68513 TIMING: 1709000 CPU: 5103.07, 0.00302835/step Wall: 5103.07, 0.00302835/step, 2.76842 hours remaining, 206.679688 MB of memory in use. ENERGY: 1709000 691.5454 2120.9470 1930.5007 124.5946 -206550.6510 17919.0826 0.0000 0.0000 34412.0483 -149351.9324 300.5290 -183763.9807 -149251.3447 298.5686 103.9384 135.1021 558265.4926 4.6341 4.7025 PRESSURE: 1709200 -61.206 -23.9117 -35.7372 -23.9112 26.6586 -31.3391 -35.7373 -31.339 120.279 GPRESSURE: 1709200 -35.7613 -42.9851 -23.7205 31.5291 45.6391 41.507 -19.8156 -31.8684 179.813 PRESSAVG: 1709200 -18.6251 -4.64154 6.43503 -4.64155 5.96865 1.62908 6.43511 1.62916 6.16598 GPRESSAVG: 1709200 -18.0721 -3.75215 3.98552 -5.7625 6.69202 0.86717 10.9652 1.19686 5.42784 TIMING: 1709200 CPU: 5103.67, 0.00302643/step Wall: 5103.67, 0.00302643/step, 2.76649 hours remaining, 206.679688 MB of memory in use. ENERGY: 1709200 759.2423 2128.0217 1900.3780 106.9887 -206391.0557 17936.0150 0.0000 0.0000 34422.7140 -149137.6960 300.6221 -183560.4100 -149034.8935 299.8299 28.5774 63.2304 557835.0652 -2.1635 -1.9841 PRESSURE: 1709400 144.415 40.242 -88.2718 40.2429 -106.151 77.3296 -88.2713 77.3293 -264.856 GPRESSURE: 1709400 197.649 14.4735 -103.167 129.809 -94.8239 5.21524 -42.0697 93.9227 -229.344 PRESSAVG: 1709400 41.4643 -11.0588 -53.1693 -11.0588 -1.45714 30.479 -53.1694 30.4789 -17.2402 GPRESSAVG: 1709400 42.6184 -11.4968 -53.0499 -10.9864 -3.19403 31.8395 -54.5843 31.3533 -16.3336 TIMING: 1709400 CPU: 5104.27, 0.00300701/step Wall: 5104.27, 0.00300701/step, 2.74858 hours remaining, 206.679688 MB of memory in use. ENERGY: 1709400 763.4100 2022.6165 1924.7927 117.0239 -206094.4123 17822.2410 0.0000 0.0000 34198.2803 -149246.0479 298.6621 -183444.3282 -149152.3902 299.6648 -75.5309 -42.1732 559289.4796 7.5890 7.6969 PRESSURE: 1709600 167.419 95.4567 28.5307 95.4562 39.5424 36.4919 28.5301 36.492 136.327 GPRESSURE: 1709600 222.718 52.3086 22.1232 14.3998 31.6928 -13.2991 36.3756 97.9167 189.832 PRESSAVG: 1709600 31.6275 -15.8083 -3.08953 -15.8084 13.6667 34.8393 -3.08946 34.8393 -26.6258 GPRESSAVG: 1709600 31.3259 -15.6452 -2.20588 -18.9088 13.9242 34.8739 -2.70664 35.1749 -27.329 TIMING: 1709600 CPU: 5104.87, 0.002989/step Wall: 5104.87, 0.002989/step, 2.73195 hours remaining, 206.679688 MB of memory in use. ENERGY: 1709600 746.0807 2155.0836 1936.1347 107.0444 -206336.0952 17962.4006 0.0000 0.0000 34275.5552 -149153.7960 299.3369 -183429.3511 -149068.4569 298.7506 114.4295 148.0809 557548.9902 6.2228 5.9737 PRESSURE: 1709800 109.217 -148.652 226.362 -148.652 192.194 -113.619 226.363 -113.618 -72.658 GPRESSURE: 1709800 141.733 -142.372 252.3 -71.7336 219.987 -79.4106 207.38 -170.344 -34.2774 PRESSAVG: 1709800 -7.4494 0.265821 17.8309 0.265739 -4.53222 59.4614 17.8308 59.4615 16.916 GPRESSAVG: 1709800 -8.88989 1.41678 17.9679 1.22308 -4.14249 58.9817 16.7675 58.0084 17.8857 TIMING: 1709800 CPU: 5105.47, 0.0029869/step Wall: 5105.47, 0.0029869/step, 2.72986 hours remaining, 206.679688 MB of memory in use. ENERGY: 1709800 728.0676 2134.8034 1957.7203 127.4249 -206317.2067 17917.3235 0.0000 0.0000 34230.0175 -149221.8495 298.9393 -183451.8670 -149130.1066 299.0529 76.2510 109.1473 556532.0110 1.6448 1.6178 PRESSURE: 1710000 -291.249 -63.7548 -61.4291 -63.7546 -174.414 -61.7489 -61.4292 -61.7501 -384.228 GPRESSURE: 1710000 -280.243 -59.9335 -13.8383 -54.4988 -143.035 -64.1045 -63.9951 -54.0049 -339.871 PRESSAVG: 1710000 -27.1843 -11.6957 -9.22445 -11.6956 27.2106 29.6035 -9.22435 29.6036 4.76201 GPRESSAVG: 1710000 -26.1685 -11.4599 -9.30746 -9.81523 26.1164 30.5361 -8.59661 30.8529 4.47093 TIMING: 1710000 CPU: 5106.07, 0.00302349/step Wall: 5106.07, 0.00302349/step, 2.76313 hours remaining, 206.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1710000 781.1617 2076.2027 1945.0163 112.0947 -206133.8938 17652.2563 0.0000 0.0000 34499.6108 -149067.5514 301.2937 -183567.1622 -148965.5098 300.0006 -283.2970 -254.3828 557024.3793 1.5961 1.4729 PRESSURE: 1710200 -12.1673 -97.5339 -66.6696 -97.5337 -246.884 -69.3559 -66.6698 -69.3544 -169.715 GPRESSURE: 1710200 48.8302 -157.267 -73.7541 -50.7244 -204.12 -149.342 -45.1363 -51.2774 -161.779 PRESSAVG: 1710200 -3.47311 -21.5156 -85.6316 -21.5156 24.9742 -29.022 -85.6317 -29.022 19.0409 GPRESSAVG: 1710200 -3.86477 -22.7606 -87.004 -21.5366 25.1374 -30.078 -83.5224 -31.0554 19.066 TIMING: 1710200 CPU: 5106.68, 0.00300938/step Wall: 5106.68, 0.00300938/step, 2.75008 hours remaining, 206.679688 MB of memory in use. ENERGY: 1710200 760.6896 2128.1210 1973.8172 100.3738 -206021.4373 17782.8414 0.0000 0.0000 34275.7757 -148999.8185 299.3389 -183275.5942 -148902.9882 299.6825 -142.9222 -105.6896 560036.5742 13.5140 13.4462 PRESSURE: 1710400 -130.698 102.102 -8.24664 102.102 135.886 111.135 -8.24623 111.136 -48.3825 GPRESSURE: 1710400 -14.9296 60.9148 6.63858 72.9611 133.128 79.3434 -78.7385 23.8291 -74.7075 PRESSAVG: 1710400 43.8809 22.3596 -88.1556 22.3595 15.2471 -10.1861 -88.1556 -10.1861 -64.9222 GPRESSAVG: 1710400 43.6813 22.2879 -89.5505 22.4515 15.2791 -10.0989 -89.2343 -7.94145 -64.9489 TIMING: 1710400 CPU: 5107.28, 0.00302707/step Wall: 5107.28, 0.00302707/step, 2.76607 hours remaining, 206.679688 MB of memory in use. ENERGY: 1710400 759.4007 2094.6821 1955.1461 115.6088 -206012.9856 17697.0066 0.0000 0.0000 34273.1405 -149118.0007 299.3159 -183391.1412 -149023.8190 299.4427 -14.3979 14.4968 557245.7281 -1.9314 -1.9962 PRESSURE: 1710600 34.3187 21.9937 33.8962 21.9938 3.08887 -15.34 33.8956 -15.3401 -273.308 GPRESSURE: 1710600 52.7682 -42.4711 105.027 52.2694 49.1054 -112.753 -29.3875 12.176 -237.793 PRESSAVG: 1710600 -44.006 8.48691 -9.01287 8.48696 30.7491 -1.34026 -9.0129 -1.34027 12.4215 GPRESSAVG: 1710600 -44.7803 6.72042 -6.68826 10.0928 30.5194 -2.55196 -11.6489 0.0887341 12.4504 TIMING: 1710600 CPU: 5107.89, 0.00302525/step Wall: 5107.89, 0.00302525/step, 2.76424 hours remaining, 206.679688 MB of memory in use. ENERGY: 1710600 728.2673 2073.2779 1924.2353 97.6525 -205629.0239 17523.9092 0.0000 0.0000 34450.3933 -148831.2884 300.8639 -183281.6817 -148738.6506 300.6545 -78.6335 -45.3064 557624.1372 -0.2785 -0.6035 PRESSURE: 1710800 -174.492 197.019 -149.987 197.018 41.689 -60.7764 -149.986 -60.7773 -134.229 GPRESSURE: 1710800 -103.255 122.781 -97.4473 184.548 24.719 -62.7437 -132.589 -70.9762 -75.8992 PRESSAVG: 1710800 -1.02605 15.5007 -10.9861 15.5007 31.4649 -43.6745 -10.986 -43.6745 -21.7527 GPRESSAVG: 1710800 -0.359266 17.1486 -10.608 14.6691 31.4404 -42.6859 -9.47156 -46.343 -21.6505 TIMING: 1710800 CPU: 5108.48, 0.00298989/step Wall: 5108.48, 0.00298989/step, 2.73177 hours remaining, 206.746094 MB of memory in use. ENERGY: 1710800 741.9258 2097.0673 1907.3524 127.5483 -206020.1592 17557.8492 0.0000 0.0000 34521.1713 -149067.2449 301.4820 -183588.4163 -148971.6099 301.1404 -89.0106 -51.4784 557055.6233 2.8954 3.1435 PRESSURE: 1711000 151.424 -102.855 163.176 -102.855 -146.638 34.9676 163.175 34.9666 81.7403 GPRESSURE: 1711000 158.984 -146.309 136.073 -75.4165 -45.2566 -92.1919 148.217 142.199 70.7198 PRESSAVG: 1711000 20.0519 11.2531 15.0274 11.2531 -7.17856 -28.9374 15.0274 -28.9375 5.07853 GPRESSAVG: 1711000 19.0717 10.2495 14.5493 9.13556 -5.3485 -29.1062 14.7488 -27.3956 3.84693 TIMING: 1711000 CPU: 5109.08, 0.00297658/step Wall: 5109.08, 0.00297658/step, 2.71944 hours remaining, 206.746094 MB of memory in use. ENERGY: 1711000 730.5595 2044.6796 1937.0466 108.0770 -205917.1748 17636.7371 0.0000 0.0000 34160.4284 -149299.6466 298.3315 -183460.0750 -149193.0389 299.2688 28.8418 61.4823 556814.0375 5.9840 5.8567 PRESSURE: 1711200 71.041 -36.9184 -69.4495 -36.9199 -171.039 -63.1214 -69.449 -63.1225 295.916 GPRESSURE: 1711200 111.195 -63.0374 -139.678 11.1531 -125.2 -60.3864 -66.8963 -29.3264 297.968 PRESSAVG: 1711200 11.9728 -13.011 15.5795 -13.0109 -18.7056 -33.2925 15.5795 -33.2927 5.93354 GPRESSAVG: 1711200 13.2623 -12.0308 14.6352 -11.5732 -20.8642 -34.0744 15.8709 -33.7087 6.74339 TIMING: 1711200 CPU: 5109.68, 0.00300744/step Wall: 5109.68, 0.00300744/step, 2.74746 hours remaining, 206.746094 MB of memory in use. ENERGY: 1711200 748.5910 2056.8305 1927.6271 106.6864 -206320.9032 17853.4782 0.0000 0.0000 34192.8673 -149434.8226 298.6148 -183627.6899 -149346.0195 298.7440 65.3058 94.6544 558422.4120 -0.2664 -0.2862 PRESSURE: 1711400 -170.311 205.572 -80.4103 205.572 -142.577 -24.8529 -80.4105 -24.8523 -148.23 GPRESSURE: 1711400 -154.32 176.509 -138.704 112.624 -114.92 58.17 17.3979 9.77323 -86.7476 PRESSAVG: 1711400 15.1744 5.39562 -23.5376 5.39561 16.3561 47.3574 -23.5376 47.3574 -44.3752 GPRESSAVG: 1711400 13.9851 5.01584 -23.6564 5.78912 16.7527 46.6144 -22.4219 47.0209 -43.797 TIMING: 1711400 CPU: 5110.28, 0.00298852/step Wall: 5110.28, 0.00298852/step, 2.73001 hours remaining, 206.746094 MB of memory in use. ENERGY: 1711400 759.3689 2104.1848 1911.9323 121.0385 -206070.0762 17607.8891 0.0000 0.0000 34249.7702 -149315.8923 299.1118 -183565.6625 -149222.2274 299.3683 -153.7061 -118.6624 557726.3220 -4.2816 -4.3531 PRESSURE: 1711600 195.569 -24.0555 123.963 -24.0548 32.1577 18.4867 123.963 18.4868 -44.7231 GPRESSURE: 1711600 239.683 -14.5402 105.823 -3.06553 128.826 -59.2867 136.273 39.0603 -70.035 PRESSAVG: 1711600 45.0317 63.3662 0.706249 63.3661 -7.82027 -44.7689 0.706331 -44.769 -25.964 GPRESSAVG: 1711600 44.7287 63.3761 0.0139292 63.7172 -7.93092 -43.4282 0.248707 -45.5392 -25.8354 TIMING: 1711600 CPU: 5110.88, 0.00298083/step Wall: 5110.88, 0.00298083/step, 2.72282 hours remaining, 206.746094 MB of memory in use. ENERGY: 1711600 740.2761 2084.0479 1965.3386 111.3235 -206532.8104 18102.2394 0.0000 0.0000 34303.6050 -149225.9799 299.5819 -183529.5849 -149131.6778 299.4069 61.0013 99.4912 557266.4665 3.7491 3.6541 PRESSURE: 1711800 -294.751 -131.573 -6.20048 -131.573 -145.162 83.391 -6.20064 83.3923 -333.92 GPRESSURE: 1711800 -258.278 -52.2361 5.65929 -120.42 -108.494 89.7895 8.76844 57.3731 -315.256 PRESSAVG: 1711800 22.5858 4.95669 19.0957 4.95666 -16.1536 -22.307 19.0957 -22.307 9.78518 GPRESSAVG: 1711800 21.6478 7.1765 22.3913 4.24773 -15.1587 -23.1493 18.1967 -22.1712 9.73292 TIMING: 1711800 CPU: 5111.47, 0.00296194/step Wall: 5111.47, 0.00296194/step, 2.7054 hours remaining, 206.746094 MB of memory in use. ENERGY: 1711800 764.9386 2103.5971 1975.5839 101.1116 -205915.2310 17692.4955 0.0000 0.0000 34013.3221 -149264.1822 297.0468 -183277.5043 -149158.8110 299.1240 -257.9443 -227.3427 559192.8108 5.4058 5.4073 PRESSURE: 1712000 219.717 -167.144 -34.8333 -167.144 147.175 24.7628 -34.8345 24.7644 -5.16561 GPRESSURE: 1712000 253.31 -136.897 -109.029 -204.262 128.419 10.3375 -36.8628 63.4929 74.9178 PRESSAVG: 1712000 -5.88931 -32.985 19.2635 -32.9851 36.1769 -18.9209 19.2635 -18.9208 3.81392 GPRESSAVG: 1712000 -6.05505 -33.5732 18.9064 -35.6407 35.2496 -18.3433 18.2968 -18.597 4.35419 TIMING: 1712000 CPU: 5112.06, 0.00297658/step Wall: 5112.06, 0.00297658/step, 2.71861 hours remaining, 206.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1712000 715.2736 2114.8696 1935.0675 109.8538 -206462.2325 17972.7349 0.0000 0.0000 34251.8188 -149362.6142 299.1297 -183614.4330 -149266.8493 298.4334 120.5754 152.2157 555916.9625 11.3672 11.1829 PRESSURE: 1712200 387.085 3.08882 -7.2732 3.08702 -193.155 90.613 -7.27302 90.6119 -90.5329 GPRESSURE: 1712200 405.771 -32.5869 -51.3904 32.8554 -201.479 93.3271 -25.2123 108.637 -14.5526 PRESSAVG: 1712200 12.5469 -22.1966 -35.1444 -22.1967 -4.54634 5.48931 -35.1444 5.48948 -24.0177 GPRESSAVG: 1712200 12.74 -24.5041 -34.3664 -21.5195 -3.44984 7.08168 -34.579 6.03647 -24.8034 TIMING: 1712200 CPU: 5112.66, 0.00298701/step Wall: 5112.66, 0.00298701/step, 2.72797 hours remaining, 206.746094 MB of memory in use. ENERGY: 1712200 693.5018 2096.8799 1947.0142 117.1943 -206144.8401 17928.2479 0.0000 0.0000 34246.6002 -149115.4017 299.0841 -183362.0019 -149019.8712 298.8172 34.4657 63.2464 557948.5682 -5.3391 -5.1711 LDB: ============= START OF LOAD BALANCING ============== 5116.21 LDB: ============== END OF LOAD BALANCING =============== 5116.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5116.21 LDB: ============= START OF LOAD BALANCING ============== 5116.51 LDB: Largest compute 4772 load 0.027185 is 23.0% of average load 0.118177 LDB: Average compute 0.001724 is 1.5% of average load 0.118177 LDB: TIME 5116.51 LOAD: AVG 0.118177 MAX 0.210288 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.309 MB LDB: TIME 5116.51 LOAD: AVG 0.118177 MAX 0.210288 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.508 MB LDB: TIME 5116.51 LOAD: AVG 0.118177 MAX 0.210288 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.508 MB LDB: ============== END OF LOAD BALANCING =============== 5116.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5116.52 PRESSURE: 1712400 -26.4131 -37.2225 112.633 -37.2222 -186.457 11.1498 112.633 11.1493 117.165 GPRESSURE: 1712400 38.7123 -23.2169 140.499 -86.5149 -190.762 9.20041 41.2335 70.4028 162.971 PRESSAVG: 1712400 5.4474 -19.0945 -31.3495 -19.0944 -19.6429 -12.8053 -31.3495 -12.8055 -6.67088 GPRESSAVG: 1712400 6.23648 -17.9152 -31.5116 -18.6309 -20.4793 -15.3777 -32.0578 -12.8433 -5.97624 TIMING: 1712400 CPU: 5113.27, 0.00304767/step Wall: 5113.27, 0.00304767/step, 2.7832 hours remaining, 206.511719 MB of memory in use. ENERGY: 1712400 747.6875 2117.2537 1895.1711 102.2400 -206353.1809 17974.5515 0.0000 0.0000 34307.6495 -149208.6276 299.6172 -183516.2771 -149107.3673 299.1020 -31.9017 3.6403 557335.6788 -6.9554 -6.7397 PRESSURE: 1712600 -262.716 -20.5596 -112.749 -20.5603 89.9242 62.0198 -112.749 62.0183 -3.79885 GPRESSURE: 1712600 -251.281 -96.3918 -91.0441 112.453 163.877 70.3434 -100.687 81.4642 4.99827 PRESSAVG: 1712600 -61.3635 23.107 -9.20647 23.1069 7.94336 55.1007 -9.20645 55.1005 85.2726 GPRESSAVG: 1712600 -61.885 22.4176 -11.3003 24.2885 8.01585 56.7419 -5.7256 53.6529 85.7618 TIMING: 1712600 CPU: 5113.87, 0.00299375/step Wall: 5113.87, 0.00299375/step, 2.73379 hours remaining, 206.511719 MB of memory in use. ENERGY: 1712600 736.0431 2053.5883 1951.6553 115.4248 -205822.1126 17649.2615 0.0000 0.0000 34150.7958 -149165.3438 298.2474 -183316.1396 -149069.9450 299.5042 -58.8637 -27.4685 557933.9342 10.6175 10.6309 PRESSURE: 1712800 -60.5151 -27.0411 59.5637 -27.0419 -31.245 -46.6221 59.5631 -46.622 -134.747 GPRESSURE: 1712800 -65.1233 -104.314 92.4022 14.2 58.7989 -16.0362 35.7252 4.96046 -116.515 PRESSAVG: 1712800 -39.0636 -6.60927 -3.51706 -6.60924 13.5728 65.1074 -3.51707 65.1074 0.440126 GPRESSAVG: 1712800 -39.6079 -7.83485 -2.95104 -5.45077 14.6204 63.8449 -4.79213 65.6771 0.079537 TIMING: 1712800 CPU: 5114.47, 0.00300299/step Wall: 5114.47, 0.00300299/step, 2.74207 hours remaining, 206.511719 MB of memory in use. ENERGY: 1712800 709.2645 2112.2604 1977.3534 110.2493 -206154.4225 17618.8501 0.0000 0.0000 34509.1120 -149117.3329 301.3767 -183626.4448 -149025.9248 299.6342 -75.5023 -40.9465 557500.1298 -8.3502 -8.3026 PRESSURE: 1713000 -33.3638 -109.117 -71.2388 -109.118 34.3009 -116.844 -71.2396 -116.843 9.85801 GPRESSURE: 1713000 -82.6425 -145.549 -104.754 -25.5726 84.9961 -110.898 -53.3096 -75.3697 102.038 PRESSAVG: 1713000 -51.6066 -47.7014 -25.6606 -47.7015 21.9921 -40.5229 -25.6606 -40.523 21.6701 GPRESSAVG: 1713000 -51.1098 -46.761 -24.9548 -50.4815 20.7362 -39.417 -26.6779 -40.0946 22.3159 TIMING: 1713000 CPU: 5115.07, 0.00298692/step Wall: 5115.07, 0.00298692/step, 2.72723 hours remaining, 206.511719 MB of memory in use. ENERGY: 1713000 750.4015 2082.7242 1928.8576 116.8282 -206170.5725 17664.6494 0.0000 0.0000 34348.4059 -149278.7057 299.9732 -183627.1116 -149182.0845 299.4174 3.5984 34.7973 555938.2504 -2.6481 -2.6859 PRESSURE: 1713200 -27.4203 -9.96398 -106.975 -9.96296 -246.646 -177.413 -106.975 -177.413 54.3177 GPRESSURE: 1713200 18.2729 -23.3406 -184.074 -14.2229 -196.276 -236.842 -52.0326 -172.197 63.9502 PRESSAVG: 1713200 23.6845 18.8637 -1.44018 18.8637 54.9261 21.4432 -1.44027 21.4431 -39.2639 GPRESSAVG: 1713200 25.529 19.0879 -2.59119 20.1015 55.2695 22.0146 -1.4793 19.4018 -41.4006 TIMING: 1713200 CPU: 5115.67, 0.00300729/step Wall: 5115.67, 0.00300729/step, 2.74565 hours remaining, 206.511719 MB of memory in use. ENERGY: 1713200 742.8339 2076.7477 1968.2413 114.8406 -206204.7564 17825.6267 0.0000 0.0000 34138.2111 -149338.2551 298.1375 -183476.4662 -149247.3774 299.1143 -73.2496 -38.0176 556434.7485 13.1156 13.1326 PRESSURE: 1713400 153.818 -181.617 -4.50981 -181.617 154.112 70.2093 -4.51098 70.2098 138.195 GPRESSURE: 1713400 205.613 -166.73 -93.2717 -129.517 146.948 53.6092 12.9302 128.538 188.185 PRESSAVG: 1713400 4.62769 -16.5848 -78.8794 -16.5848 -60.2499 45.7139 -78.8794 45.7138 65.9691 GPRESSAVG: 1713400 3.65584 -16.0151 -77.4596 -15.2317 -60.3802 45.4169 -79.1165 47.1049 67.0812 TIMING: 1713400 CPU: 5116.27, 0.00302016/step Wall: 5116.27, 0.00302016/step, 2.75724 hours remaining, 206.511719 MB of memory in use. ENERGY: 1713400 750.5740 2047.7902 1927.1857 108.6618 -206307.6781 17994.8215 0.0000 0.0000 34159.6202 -149319.0247 298.3245 -183478.6450 -149225.5680 298.9146 148.7081 180.2490 556228.0944 3.4490 3.4523 PRESSURE: 1713600 39.1387 -21.2402 15.8369 -21.239 -165.049 54.3447 15.8385 54.3453 105.19 GPRESSURE: 1713600 82.9687 -13.0428 -12.4005 -25.7444 -144.888 73.9809 -23.2655 13.8365 140.321 PRESSAVG: 1713600 1.33901 -52.0693 15.2899 -52.0693 -11.2208 -16.1589 15.2898 -16.1589 -12.975 GPRESSAVG: 1713600 1.63552 -50.9869 14.7647 -53.2015 -11.3935 -18.0215 16.4277 -15.8211 -13.5911 TIMING: 1713600 CPU: 5116.88, 0.00302894/step Wall: 5116.88, 0.00302894/step, 2.76509 hours remaining, 206.714844 MB of memory in use. ENERGY: 1713600 779.8558 2048.6514 1950.1449 112.1865 -206193.4226 17824.3454 0.0000 0.0000 34348.4302 -149129.8084 299.9734 -183478.2387 -149035.3895 298.8031 -6.9070 26.1338 557452.0068 -7.6189 -7.7830 PRESSURE: 1713800 -115.915 -107.15 -13.0819 -107.151 -231.068 18.6359 -13.0824 18.635 -45.5534 GPRESSURE: 1713800 -29.2179 -41.5819 90.6628 -149.555 -213.479 8.03404 37.2169 -13.1429 -60.6657 PRESSAVG: 1713800 27.0031 -1.86301 -22.7583 -1.86299 -64.573 -17.1392 -22.7584 -17.1392 30.4722 GPRESSAVG: 1713800 26.7205 -1.17383 -22.7934 -2.89663 -64.7288 -14.6519 -22.6349 -19.8341 30.9265 TIMING: 1713800 CPU: 5117.48, 0.00299746/step Wall: 5117.48, 0.00299746/step, 2.73618 hours remaining, 206.714844 MB of memory in use. ENERGY: 1713800 742.7455 2100.0966 1941.2927 110.6445 -206445.9229 17664.6942 0.0000 0.0000 34541.2891 -149345.1603 301.6577 -183886.4495 -149246.6878 299.7503 -130.8453 -101.1207 556369.8235 -2.3659 -2.3606 PRESSURE: 1714000 88.1766 -41.1048 56.233 -41.1052 -287.239 -30.7134 56.2336 -30.7131 -155.92 GPRESSURE: 1714000 100.945 -39.508 99.9281 18.1987 -209.611 -0.117861 68.9347 15.6904 -141.568 PRESSAVG: 1714000 29.5233 -10.1964 27.3512 -10.1964 -80.5852 7.14661 27.3512 7.14663 70.241 GPRESSAVG: 1714000 28.8497 -11.9217 26.9834 -8.56668 -80.8947 6.99541 27.4837 10.3436 71.5122 TIMING: 1714000 CPU: 5118.08, 0.0030082/step Wall: 5118.08, 0.0030082/step, 2.74582 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1714000 712.0314 2126.3090 1941.5199 115.8577 -206075.8874 17679.1415 0.0000 0.0000 34242.4333 -149258.5946 299.0477 -183501.0279 -149166.4544 299.3634 -118.3276 -83.4111 558473.6744 6.3930 6.4891 PRESSURE: 1714200 184.971 177.823 21.1876 177.822 69.5146 147.92 21.1882 147.919 -209.66 GPRESSURE: 1714200 227.954 150.111 154.15 213.084 110.199 125.735 -35.6263 196.974 -190.474 PRESSAVG: 1714200 32.6076 11.0033 74.7616 11.0032 -10.5411 18.8943 74.7616 18.8941 -6.25043 GPRESSAVG: 1714200 31.9283 13.9426 76.218 7.21365 -9.47864 18.6337 73.5306 16.513 -6.96751 TIMING: 1714200 CPU: 5118.68, 0.00301508/step Wall: 5118.68, 0.00301508/step, 2.75193 hours remaining, 206.714844 MB of memory in use. ENERGY: 1714200 727.2513 2132.3642 1943.7226 117.0168 -206325.4398 18000.6496 0.0000 0.0000 34211.3604 -149193.0749 298.7763 -183404.4353 -149097.1046 299.2972 14.9418 49.2260 557423.3270 5.2720 5.1607 PRESSURE: 1714400 -286.035 83.0683 39.3183 83.0681 -136.964 -20.9128 39.3192 -20.9117 -231.904 GPRESSURE: 1714400 -328.012 92.9693 -101.026 -72.3704 -118.082 -96.5248 29.2398 -12.5167 -115.47 PRESSAVG: 1714400 -13.6206 31.8162 -26.7716 31.8162 52.3087 -19.4409 -26.7716 -19.4408 9.42705 GPRESSAVG: 1714400 -13.4367 29.2395 -27.5847 34.7584 52.5515 -22.7136 -26.281 -16.1493 8.95862 TIMING: 1714400 CPU: 5119.28, 0.00300596/step Wall: 5119.28, 0.00300596/step, 2.74344 hours remaining, 206.714844 MB of memory in use. ENERGY: 1714400 799.2174 2077.0453 1930.2986 119.5991 -205808.2047 17411.3293 0.0000 0.0000 34342.1074 -149128.6076 299.9182 -183470.7150 -149035.9144 299.4528 -218.3009 -187.1879 556701.1833 16.0384 16.0245 PRESSURE: 1714600 -137.376 50.5888 -79.6075 50.5884 233.455 89.063 -79.6072 89.0599 -237.917 GPRESSURE: 1714600 -84.2755 33.8129 -14.3098 110.035 288.762 107.201 -63.5383 3.27174 -250.012 PRESSAVG: 1714600 -46.8012 -3.71069 -47.7185 -3.71076 29.1891 -13.5957 -47.7185 -13.5958 50.6722 GPRESSAVG: 1714600 -47.6688 -2.54157 -47.9114 -5.75606 29.9302 -12.6943 -46.9759 -14.3959 49.9735 TIMING: 1714600 CPU: 5119.88, 0.00298765/step Wall: 5119.88, 0.00298765/step, 2.72656 hours remaining, 206.714844 MB of memory in use. ENERGY: 1714600 754.4841 2111.5455 1941.6127 105.8145 -206106.2317 17793.1214 0.0000 0.0000 34447.4327 -148952.2207 300.8380 -183399.6535 -148850.9724 300.0413 -47.2795 -15.1752 557517.0937 11.0200 10.7450 PRESSURE: 1714800 132.83 -114.594 120.12 -114.595 455.805 26.2789 120.12 26.2791 133.959 GPRESSURE: 1714800 176.59 -58.9993 117.88 -130.689 478.813 -40.6751 204.333 58.0597 165.466 PRESSAVG: 1714800 -23.3148 -3.35484 5.63169 -3.35491 8.09874 -88.7656 5.63172 -88.7655 -5.92864 GPRESSAVG: 1714800 -22.8397 -4.27883 4.40344 -2.5103 7.44225 -89.6097 6.36458 -88.9156 -5.31102 TIMING: 1714800 CPU: 5120.48, 0.00301107/step Wall: 5120.48, 0.00301107/step, 2.74777 hours remaining, 206.714844 MB of memory in use. ENERGY: 1714800 744.2998 2079.2443 1945.1854 113.1540 -206542.0247 18181.7555 0.0000 0.0000 34426.1185 -149052.2673 300.6519 -183478.3858 -148946.9351 300.7091 240.8650 273.6232 555571.0060 -7.0482 -6.9028 PRESSURE: 1715000 90.258 117.14 23.4603 117.141 74.4886 131.095 23.4604 131.096 -246.701 GPRESSURE: 1715000 94.7166 64.4097 -11.8692 85.4748 89.1938 64.8388 65.423 138.857 -174.026 PRESSAVG: 1715000 -42.7232 -6.14051 -14.1572 -6.14056 0.48563 0.526595 -14.1573 0.526673 18.9698 GPRESSAVG: 1715000 -41.8053 -6.84799 -13.5911 -5.35661 0.285116 1.93032 -15.8348 -0.598396 18.1351 TIMING: 1715000 CPU: 5121.08, 0.00299575/step Wall: 5121.08, 0.00299575/step, 2.73362 hours remaining, 206.714844 MB of memory in use. ENERGY: 1715000 711.5342 2112.7477 1961.9802 129.8127 -205910.3092 17753.6096 0.0000 0.0000 34112.3469 -149128.2778 297.9116 -183240.6247 -149034.6129 299.5782 -27.3182 3.2946 558550.8736 -7.7559 -7.7950 PRESSURE: 1715200 300.226 62.3436 -29.4954 62.3442 90.7735 -52.0004 -29.4946 -52.0024 79.485 GPRESSURE: 1715200 278.196 96.0955 -32.4333 102.202 115.586 -43.9961 -68.5212 -5.18491 179.623 PRESSAVG: 1715200 -20.4461 21.216 -4.11786 21.2159 47.3273 8.81784 -4.11786 8.81794 2.57645 GPRESSAVG: 1715200 -22.7849 22.8809 -3.0598 21.4268 48.6831 11.2611 -4.70327 10.6263 3.89283 TIMING: 1715200 CPU: 5121.68, 0.00299384/step Wall: 5121.68, 0.00299384/step, 2.73171 hours remaining, 206.714844 MB of memory in use. ENERGY: 1715200 727.2183 2084.8672 1951.5229 105.9247 -205920.9616 17820.0485 0.0000 0.0000 34226.4453 -149004.9347 298.9081 -183231.3800 -148905.3484 299.5033 156.8281 191.1348 556610.7670 9.8192 9.9303 PRESSURE: 1715400 -28.2456 11.9601 56.4844 11.961 -120.771 121.387 56.4851 121.387 31.3604 GPRESSURE: 1715400 2.04111 75.676 35.4729 -7.76144 -77.8015 175.01 -56.6725 117.998 57.5788 PRESSAVG: 1715400 -39.744 9.05334 -24.9028 9.0534 38.5672 -24.2743 -24.9029 -24.2742 -19.1676 GPRESSAVG: 1715400 -38.1194 7.89591 -26.2199 8.62114 37.2279 -26.9189 -23.3037 -24.2771 -19.4156 TIMING: 1715400 CPU: 5122.29, 0.00302915/step Wall: 5122.29, 0.00302915/step, 2.76376 hours remaining, 206.714844 MB of memory in use. ENERGY: 1715400 775.1048 2057.3392 1965.0355 118.7797 -206103.2988 17793.8829 0.0000 0.0000 34339.0035 -149054.1531 299.8911 -183393.1566 -148959.0068 299.3833 -39.2188 -6.0605 557239.9396 -6.7815 -6.7690 PRESSURE: 1715600 -42.4532 -211.69 -28.4467 -211.69 197.416 15.3327 -28.4474 15.3326 -108.38 GPRESSURE: 1715600 4.83281 -152.152 -66.999 -152.286 195.972 -28.6248 -19.2335 18.5772 -55.0721 PRESSAVG: 1715600 -11.9676 -43.5755 -10.3323 -43.5755 11.2001 4.85452 -10.3323 4.85447 38.9032 GPRESSAVG: 1715600 -12.8326 -43.5291 -9.87356 -44.5739 12.6398 5.41067 -11.4263 2.92716 38.7465 TIMING: 1715600 CPU: 5122.89, 0.00301134/step Wall: 5122.89, 0.00301134/step, 2.74735 hours remaining, 206.714844 MB of memory in use. ENERGY: 1715600 719.9430 2118.6149 1953.8648 104.9439 -206187.1526 17898.6157 0.0000 0.0000 34331.7957 -149059.3745 299.8281 -183391.1702 -148958.3073 299.5255 15.5276 48.5777 558531.3588 12.7119 12.8513 PRESSURE: 1715800 115.352 9.84829 4.24497 9.8469 37.8925 45.3308 4.24469 45.3327 121.003 GPRESSURE: 1715800 129.455 138.431 26.6928 -29.5552 88.7411 56.5102 -70.7763 3.23704 162.99 PRESSAVG: 1715800 38.0587 34.7979 -50.2197 34.7979 -34.4363 -43.4026 -50.2197 -43.4026 -22.5535 GPRESSAVG: 1715800 39.4374 35.8555 -52.5906 34.9864 -36.4313 -43.2245 -49.3179 -41.6557 -21.5313 TIMING: 1715800 CPU: 5123.49, 0.00301345/step Wall: 5123.49, 0.00301345/step, 2.74911 hours remaining, 206.714844 MB of memory in use. ENERGY: 1715800 757.0903 2147.1660 1938.4671 109.3312 -206229.0192 18092.9205 0.0000 0.0000 34062.3714 -149121.6726 297.4752 -183184.0441 -149033.3037 299.1149 91.4157 127.0623 557475.5139 -6.3104 -6.1751 PRESSURE: 1716000 217.047 89.7277 -102.734 89.7282 147.764 -131.682 -102.734 -131.682 -77.8658 GPRESSURE: 1716000 294.129 79.5422 -136.266 118.962 160.177 -160.15 -144.832 -101.113 -70.1643 PRESSAVG: 1716000 25.2149 -6.96639 11.5752 -6.96632 -45.0698 -60.9221 11.5752 -60.922 23.6196 GPRESSAVG: 1716000 24.1879 -8.31147 12.504 -5.73666 -43.2706 -59.8654 10.9501 -61.2922 23.0933 TIMING: 1716000 CPU: 5124.09, 0.0030129/step Wall: 5124.09, 0.0030129/step, 2.74844 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1716000 730.7046 2140.7209 1930.6165 109.9662 -206204.8464 17966.5596 0.0000 0.0000 34195.7887 -149130.4898 298.6403 -183326.2785 -149030.3916 299.4784 95.6484 128.0471 558007.1003 1.2549 1.3369 PRESSURE: 1716200 192.661 229.064 -164.191 229.064 246.253 -2.84212 -164.192 -2.84277 224.346 GPRESSURE: 1716200 252.998 196.781 -229.506 182.753 310.869 -35.6522 -162.362 41.483 195.44 PRESSAVG: 1716200 3.81296 5.85791 -72.0272 5.85793 25.2082 -41.7396 -72.0272 -41.7397 -13.0318 GPRESSAVG: 1716200 5.23764 6.87136 -70.8524 4.59929 23.8274 -41.0027 -73.292 -41.1884 -12.7472 TIMING: 1716200 CPU: 5124.69, 0.00298866/step Wall: 5124.69, 0.00298866/step, 2.72616 hours remaining, 206.714844 MB of memory in use. ENERGY: 1716200 726.4933 2057.9008 1969.6760 111.2984 -206532.0979 18145.8650 0.0000 0.0000 34361.1295 -149159.7350 300.0843 -183520.8645 -149063.0428 299.6605 221.0865 253.1024 556637.6021 5.3298 5.4393 LDB: ============= START OF LOAD BALANCING ============== 5128.24 LDB: ============== END OF LOAD BALANCING =============== 5128.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5128.24 LDB: ============= START OF LOAD BALANCING ============== 5128.55 LDB: Largest compute 4772 load 0.027613 is 23.4% of average load 0.118242 LDB: Average compute 0.001732 is 1.5% of average load 0.118242 LDB: TIME 5128.55 LOAD: AVG 0.118242 MAX 0.215688 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 5128.55 LOAD: AVG 0.118242 MAX 0.215688 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206 MB LDB: TIME 5128.55 LOAD: AVG 0.118242 MAX 0.215688 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5128.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5128.56 PRESSURE: 1716400 -12.392 -78.8842 -27.4089 -78.8842 151.399 -107.686 -27.4087 -107.686 -58.2286 GPRESSURE: 1716400 3.41385 11.1949 -19.4301 -193.381 169.509 -108.773 -28.8107 -180.519 -1.67804 PRESSAVG: 1716400 58.0277 34.5627 -4.36571 34.5626 41.0843 -38.7153 -4.36572 -38.7153 -64.7 GPRESSAVG: 1716400 56.9707 33.4034 -5.3771 33.9626 42.2472 -39.688 -5.09515 -39.3037 -64.2524 TIMING: 1716400 CPU: 5125.31, 0.00307774/step Wall: 5125.31, 0.00307774/step, 2.80724 hours remaining, 206.000000 MB of memory in use. ENERGY: 1716400 710.9280 2090.2382 1972.3385 103.3105 -206214.5450 17761.7689 0.0000 0.0000 34417.1285 -149158.8324 300.5733 -183575.9609 -149067.4438 300.4172 26.9260 57.0816 557166.9812 11.4707 11.6552 PRESSURE: 1716600 -54.111 90.5705 46.8834 90.5706 -190.114 -1.97391 46.8828 -1.97362 -50.2152 GPRESSURE: 1716600 43.2231 38.5646 114.565 217.272 -162.594 76.6655 113.223 -25.9613 -74.4987 PRESSAVG: 1716600 -7.46179 -3.35405 -21.7236 -3.35404 -26.2773 -43.3762 -21.7235 -43.3762 17.643 GPRESSAVG: 1716600 -6.81439 -2.87268 -20.1043 -2.15914 -25.3568 -43.2808 -21.2738 -44.7577 15.997 TIMING: 1716600 CPU: 5125.91, 0.00300514/step Wall: 5125.91, 0.00300514/step, 2.74085 hours remaining, 206.000000 MB of memory in use. ENERGY: 1716600 735.1450 2106.5397 1927.0187 107.8721 -205628.8261 17578.6622 0.0000 0.0000 34095.6526 -149077.9357 297.7658 -183173.5884 -148978.9539 299.9130 -98.1467 -64.6232 558773.3957 -5.3654 -5.3914 PRESSURE: 1716800 238.269 -88.2634 177.511 -88.2634 -183.879 67.7733 177.512 67.7742 -93.8664 GPRESSURE: 1716800 282.033 -106.038 167.929 -90.0624 -129.113 56.3345 109.818 71.0946 -91.6186 PRESSAVG: 1716800 77.1611 -7.62977 10.0577 -7.62978 -26.3665 21.634 10.0577 21.6339 -10.4984 GPRESSAVG: 1716800 78.1877 -6.52828 8.22091 -8.08856 -27.6046 20.2092 10.4974 23.4925 -10.0854 TIMING: 1716800 CPU: 5126.51, 0.0029818/step Wall: 5126.51, 0.0029818/step, 2.7194 hours remaining, 206.000000 MB of memory in use. ENERGY: 1716800 746.1482 2135.2656 1906.3835 118.8680 -205903.3141 17773.0280 0.0000 0.0000 34258.1518 -148965.4690 299.1850 -183223.6208 -148867.5942 300.0105 -13.1588 20.4336 558167.3150 13.4321 13.4992 PRESSURE: 1717000 -88.04 -216.988 -17.6301 -216.987 -133.806 87.7202 -17.6288 87.7199 -6.55723 GPRESSURE: 1717000 -113.059 -289.686 -123.98 -109.759 -46.2784 52.2826 28.7962 109.059 20.5288 PRESSAVG: 1717000 -8.96611 -31.2907 27.7958 -31.2907 -59.491 16.7236 27.7957 16.7235 49.3556 GPRESSAVG: 1717000 -9.62664 -31.761 27.3696 -32.6841 -59.3005 17.5884 28.3084 15.5263 49.9468 TIMING: 1717000 CPU: 5127.1, 0.00298056/step Wall: 5127.1, 0.00298056/step, 2.71811 hours remaining, 206.000000 MB of memory in use. ENERGY: 1717000 710.8405 1996.1429 1937.3309 118.4593 -205866.7692 17597.5606 0.0000 0.0000 34380.5638 -149125.8711 300.2540 -183506.4349 -149016.3815 299.8186 -76.1345 -46.2694 558727.5334 -6.3672 -6.3268 PRESSURE: 1717200 -65.0817 56.4177 -88.9877 56.4174 -79.1064 49.1697 -88.9878 49.1695 69.4803 GPRESSURE: 1717200 10.2232 43.7178 -95.9328 17.2659 -46.4657 87.7924 -98.95 10.5804 55.1368 PRESSAVG: 1717200 45.5266 -16.3806 47.0947 -16.3806 -54.1455 -42.2366 47.0947 -42.2367 9.49388 GPRESSAVG: 1717200 45.2373 -16.6449 48.5573 -16.0707 -54.6016 -42.2556 48.0243 -41.0097 9.99006 TIMING: 1717200 CPU: 5127.71, 0.00302032/step Wall: 5127.71, 0.00302032/step, 2.7542 hours remaining, 206.000000 MB of memory in use. ENERGY: 1717200 702.3821 2080.8171 1929.8808 114.3305 -205887.3041 17625.0278 0.0000 0.0000 34389.6388 -149045.2269 300.3333 -183434.8657 -148947.2322 299.1840 -24.9026 6.2981 557870.4922 0.2917 0.2086 PRESSURE: 1717400 -117.989 -159.73 48.6432 -159.729 148.495 27.4306 48.6429 27.4306 119.352 GPRESSURE: 1717400 -103.913 -157.906 51.9706 -97.7915 164.853 4.61444 49.2711 2.64138 172.909 PRESSAVG: 1717400 12.2638 -12.2964 4.40646 -12.2963 -90.4025 23.0705 4.4065 23.0706 31.5049 GPRESSAVG: 1717400 11.9826 -13.7098 5.04277 -11.3743 -89.1449 22.492 2.81737 22.5827 30.482 TIMING: 1717400 CPU: 5128.3, 0.00297681/step Wall: 5128.3, 0.00297681/step, 2.71436 hours remaining, 206.000000 MB of memory in use. ENERGY: 1717400 756.0533 2104.1945 1932.0163 101.5504 -205931.4205 17690.3383 0.0000 0.0000 34166.0346 -149181.2331 298.3805 -183347.2677 -149094.7226 299.2630 49.9529 77.9499 556741.0496 -15.5446 -15.5601 PRESSURE: 1717600 -47.874 -23.8095 -195.374 -23.8097 -170.544 137.902 -195.374 137.901 -270.812 GPRESSURE: 1717600 -58.0923 -115.607 -144.855 -28.2769 -59.4877 58.1846 -151.445 162.581 -266.934 PRESSAVG: 1717600 -32.5383 -12.5189 14.2032 -12.5188 -20.1782 3.75469 14.2031 3.75474 70.2842 GPRESSAVG: 1717600 -32.8376 -12.8478 15.6032 -11.1444 -19.7897 2.97879 14.702 4.44201 70.8706 TIMING: 1717600 CPU: 5128.9, 0.00297477/step Wall: 5128.9, 0.00297477/step, 2.71233 hours remaining, 206.000000 MB of memory in use. ENERGY: 1717600 769.6254 2086.7104 1923.1098 120.3259 -206182.7736 17635.8734 0.0000 0.0000 34387.6605 -149259.4682 300.3160 -183647.1287 -149160.1772 299.3701 -163.0768 -128.1714 557845.9108 5.8559 6.0811 PRESSURE: 1717800 67.694 131.324 73.1499 131.324 -2.06553 -101.686 73.1492 -101.686 -140.821 GPRESSURE: 1717800 83.5077 134.149 107.41 107.212 11.3124 -135.73 122.869 -58.8366 -60.1207 PRESSAVG: 1717800 1.34191 -42.0282 2.68418 -42.0281 11.0373 48.6683 2.68435 48.6684 -7.80881 GPRESSAVG: 1717800 2.04183 -42.2561 -0.610308 -41.9257 10.7593 49.7156 4.1791 48.0507 -8.23728 TIMING: 1717800 CPU: 5129.49, 0.00298971/step Wall: 5129.49, 0.00298971/step, 2.72579 hours remaining, 206.000000 MB of memory in use. ENERGY: 1717800 719.6586 2099.1013 1973.3530 102.8930 -206161.3786 17740.8936 0.0000 0.0000 34264.0028 -149261.4763 299.2361 -183525.4791 -149169.8379 300.2885 -25.0642 11.5665 558295.0387 1.5235 1.5213 PRESSURE: 1718000 -96.3713 57.4145 14.539 57.4136 -155.081 236.686 14.5392 236.686 149.513 GPRESSURE: 1718000 -58.4394 98.3193 61.7322 41.1764 -105.926 160.642 -36.3885 192.732 136.857 PRESSAVG: 1718000 -3.6855 -28.6322 29.5182 -28.6322 2.88622 13.1424 29.5181 13.1423 -28.4221 GPRESSAVG: 1718000 -3.08062 -27.8162 30.9079 -31.5714 1.73239 12.8957 27.5572 11.7101 -27.7113 TIMING: 1718000 CPU: 5130.09, 0.0030035/step Wall: 5130.09, 0.0030035/step, 2.73819 hours remaining, 206.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1718000 755.8489 2183.5350 1921.7516 125.4024 -206131.6547 17659.4453 0.0000 0.0000 34303.8370 -149181.8344 299.5839 -183485.6714 -149082.4717 299.5094 -33.9797 -9.1694 557330.3637 -9.7405 -9.6865 PRESSURE: 1718200 114.372 -102.875 170.513 -102.877 178.754 -40.339 170.515 -40.3385 -197.807 GPRESSURE: 1718200 193.712 -105.344 183.582 -131.589 135.013 -26.4002 204.349 -8.46435 -144.261 PRESSAVG: 1718200 43.987 -26.6675 26.2678 -26.6675 1.66758 50.7177 26.2678 50.7177 26.2782 GPRESSAVG: 1718200 42.7203 -28.0073 26.0291 -25.0628 2.59724 50.839 26.2612 53.2325 26.9487 TIMING: 1718200 CPU: 5130.69, 0.00298185/step Wall: 5130.69, 0.00298185/step, 2.71828 hours remaining, 206.000000 MB of memory in use. ENERGY: 1718200 744.7590 2122.7464 1926.7018 107.2574 -205793.6986 17657.1538 0.0000 0.0000 34281.1980 -148953.8822 299.3862 -183235.0802 -148862.5593 300.1571 31.7732 61.4881 556417.3223 23.9776 24.0887 PRESSURE: 1718400 -78.0887 -10.593 43.8114 -10.5938 -178.847 6.00272 43.8103 6.00297 19.9618 GPRESSURE: 1718400 -40.5565 -15.4486 -19.1606 20.3175 -140.554 72.2375 39.3357 -13.8017 37.1603 PRESSAVG: 1718400 -12.9275 -24.3512 27.6901 -24.3513 40.148 19.1529 27.6901 19.1529 -12.8648 GPRESSAVG: 1718400 -12.0387 -21.8353 28.8119 -24.931 39.1137 19.769 28.076 19.3011 -13.132 TIMING: 1718400 CPU: 5131.29, 0.00297549/step Wall: 5131.29, 0.00297549/step, 2.71233 hours remaining, 206.000000 MB of memory in use. ENERGY: 1718400 774.9672 2053.4850 1925.5485 106.7128 -205842.0936 17624.9403 0.0000 0.0000 34344.6416 -149011.7982 299.9403 -183356.4398 -148916.2787 300.3401 -78.9912 -47.9834 557023.5621 4.7852 4.6477 PRESSURE: 1718600 147.824 124.119 -9.02223 124.118 -195.681 -112.755 -9.02262 -112.753 201.906 GPRESSURE: 1718600 208.05 58.1055 19.2199 157.336 -148.824 -109.74 85.3274 -170.758 174.652 PRESSAVG: 1718600 55.7754 -16.5851 44.7861 -16.585 -27.2622 -48.1884 44.786 -48.1885 -20.8276 GPRESSAVG: 1718600 57.0221 -16.9497 44.6599 -16.9069 -27.1398 -49.2935 43.0732 -49.2301 -22.0909 TIMING: 1718600 CPU: 5131.88, 0.00295191/step Wall: 5131.88, 0.00295191/step, 2.69066 hours remaining, 206.000000 MB of memory in use. ENERGY: 1718600 708.0282 2129.9779 1950.9960 112.8813 -206331.1227 17736.0955 0.0000 0.0000 34458.9412 -149234.2026 300.9385 -183693.1438 -149134.1782 299.7935 51.3498 77.9594 555767.4330 2.5619 2.5971 PRESSURE: 1718800 -57.3043 68.3287 -55.0148 68.3285 186.069 -127.983 -55.0161 -127.983 159.191 GPRESSURE: 1718800 -64.4892 31.9595 -108.077 55.7829 252.331 -160.268 -56.6016 -163.249 193.566 PRESSAVG: 1718800 -3.33172 70.5701 23.0392 70.5702 -12.2213 -11.5721 23.0391 -11.5721 44.905 GPRESSAVG: 1718800 -4.75466 69.5773 23.0812 71.542 -12.3083 -11.1144 24.3098 -13.1946 46.2775 TIMING: 1718800 CPU: 5132.46, 0.00294057/step Wall: 5132.46, 0.00294057/step, 2.68017 hours remaining, 206.000000 MB of memory in use. ENERGY: 1718800 728.6834 2142.9577 1947.8329 112.7754 -206412.9035 17990.5677 0.0000 0.0000 34337.3576 -149152.7286 299.8767 -183490.0862 -149063.7449 299.6158 95.9852 127.1360 556614.4206 9.7840 9.7382 PRESSURE: 1719000 -259.753 -12.0606 123.688 -12.0604 138.327 40.8686 123.689 40.8687 -32.539 GPRESSURE: 1719000 -163.504 18.5572 103.881 -40.7647 140.19 -31.1251 133.286 60.2099 -18.993 PRESSAVG: 1719000 -46.1308 13.0822 -3.32433 13.0821 -15.1037 -62.38 -3.32435 -62.38 21.8777 GPRESSAVG: 1719000 -45.3603 15.1846 -3.19422 13.1241 -13.0995 -62.9462 -2.34139 -59.5543 19.2125 TIMING: 1719000 CPU: 5133.06, 0.00298297/step Wall: 5133.06, 0.00298297/step, 2.71865 hours remaining, 206.000000 MB of memory in use. ENERGY: 1719000 758.3226 2078.2550 1947.6143 115.0900 -206241.2479 17774.5848 0.0000 0.0000 34607.9974 -148959.3839 302.2402 -183567.3814 -148860.1480 300.2096 -51.3215 -14.1023 557789.7806 -13.1189 -13.0824 PRESSURE: 1719200 -40.8847 -1.43047 -64.1433 -1.42963 288.471 -62.6299 -64.1419 -62.6309 -88.3801 GPRESSURE: 1719200 19.3468 47.7402 -26.3767 -7.5223 307.269 -160.707 -36.2992 90.8901 -59.5593 PRESSAVG: 1719200 -22.3754 24.2058 24.3743 24.2057 50.7298 63.9388 24.3744 63.9387 -25.3313 GPRESSAVG: 1719200 -21.8955 23.5156 24.9303 23.5585 49.4804 63.2908 22.7959 64.2978 -24.4021 TIMING: 1719200 CPU: 5133.65, 0.00297072/step Wall: 5133.65, 0.00297072/step, 2.70732 hours remaining, 206.000000 MB of memory in use. ENERGY: 1719200 727.4072 2152.0989 1954.6592 112.0648 -206307.4807 17864.0245 0.0000 0.0000 34370.1947 -149127.0316 300.1635 -183497.2263 -149027.8693 300.7808 53.0689 89.0190 556601.3417 1.0077 1.0609 PRESSURE: 1719400 90.2511 -39.7524 112.526 -39.752 -48.0633 152.465 112.525 152.467 28.2539 GPRESSURE: 1719400 64.0237 -1.54067 87.5581 -73.519 -5.8162 172.687 130.716 94.7658 104.704 PRESSAVG: 1719400 -2.80301 40.9226 34.9232 40.9226 29.0544 75.7912 34.9232 75.7912 -3.42515 GPRESSAVG: 1719400 -4.76265 39.6219 35.1253 40.6705 29.2068 75.6711 35.9455 75.9697 -1.5701 TIMING: 1719400 CPU: 5134.26, 0.00301603/step Wall: 5134.26, 0.00301603/step, 2.74844 hours remaining, 206.000000 MB of memory in use. ENERGY: 1719400 758.2564 2089.6125 1955.5531 126.3592 -206126.5988 17626.9215 0.0000 0.0000 34480.8968 -149088.9994 301.1302 -183569.8962 -148979.6433 300.3986 23.4806 54.3038 557652.1540 7.6087 7.6247 PRESSURE: 1719600 50.1748 -239.32 36.8891 -239.321 166.067 -70.8367 36.8908 -70.8373 98.348 GPRESSURE: 1719600 61.8747 -242.339 36.0234 -245.003 176.444 -77.1405 17.173 -25.5433 168.581 PRESSAVG: 1719600 -18.4029 -30.331 2.27202 -30.3309 -1.63389 1.3991 2.27208 1.39898 51.5266 GPRESSAVG: 1719600 -16.798 -30.8914 0.181575 -28.7421 -1.88034 3.49869 3.88809 -0.161561 51.1076 TIMING: 1719600 CPU: 5134.86, 0.00299046/step Wall: 5134.86, 0.00299046/step, 2.72497 hours remaining, 206.000000 MB of memory in use. ENERGY: 1719600 747.2704 2084.9875 1938.4608 108.3829 -206278.6458 18007.3267 0.0000 0.0000 34203.9709 -149188.2466 298.7118 -183392.2175 -149099.7694 299.7906 104.8633 135.6333 557035.3591 10.4966 10.8097 PRESSURE: 1719800 74.8382 37.4687 -87.6705 37.4674 141.085 -157.2 -87.6718 -157.2 223.243 GPRESSURE: 1719800 108.404 81.0124 -102.007 -0.553994 177.523 -119.683 -102.817 -130.47 252.411 PRESSAVG: 1719800 -38.6783 -16.114 16.4816 -16.1141 3.6734 -55.413 16.4815 -55.4131 53.9016 GPRESSAVG: 1719800 -39.5145 -13.3844 18.7079 -15.7685 5.10753 -57.2422 14.3021 -57.5743 53.227 TIMING: 1719800 CPU: 5135.45, 0.00298552/step Wall: 5135.45, 0.00298552/step, 2.7203 hours remaining, 206.000000 MB of memory in use. ENERGY: 1719800 729.7962 2094.0809 1934.0862 112.0103 -206099.7862 17985.9678 0.0000 0.0000 34296.2568 -148947.5879 299.5177 -183243.8447 -148860.4715 299.8193 146.3888 179.4459 557956.7199 6.2989 6.2733 PRESSURE: 1720000 -14.3856 83.3402 -94.9828 83.3406 7.73073 58.3775 -94.9826 58.3773 -32.96 GPRESSURE: 1720000 -21.2962 73.8958 -113.493 137.02 46.7093 78.4959 13.0437 67.4765 31.405 PRESSAVG: 1720000 12.2758 123.145 -18.1271 123.146 -4.76061 25.6289 -18.1272 25.6288 -17.7529 GPRESSAVG: 1720000 13.677 123.05 -20.7492 119.217 -3.97394 27.617 -17.0028 26.7558 -19.8031 TIMING: 1720000 CPU: 5136.05, 0.00299592/step Wall: 5136.05, 0.00299592/step, 2.72962 hours remaining, 206.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1720000 764.8434 2107.4288 1951.7431 103.5565 -206036.3794 17838.4920 0.0000 0.0000 34114.2253 -149156.0904 297.9280 -183270.3156 -149061.2736 299.5185 -13.2049 18.9394 557798.8660 -3.4126 -3.3667 PRESSURE: 1720200 -91.0135 -57.1374 -203.949 -57.1388 -231.431 99.9878 -203.949 99.9873 5.39041 GPRESSURE: 1720200 -96.2835 -63.5535 -269.007 -82.3541 -216.334 134.43 -195.271 27.7984 95.2591 PRESSAVG: 1720200 -15.926 51.3107 -18.2719 51.3106 -45.111 45.6569 -18.272 45.657 63.2737 GPRESSAVG: 1720200 -17.4414 50.064 -16.4488 54.3473 -45.9074 43.7156 -18.624 46.6139 66.0058 TIMING: 1720200 CPU: 5136.65, 0.00298471/step Wall: 5136.65, 0.00298471/step, 2.71924 hours remaining, 206.000000 MB of memory in use. ENERGY: 1720200 725.3521 2097.6817 1952.9632 113.2400 -205887.3075 17647.1512 0.0000 0.0000 34327.9758 -149022.9434 299.7948 -183350.9192 -148929.3559 299.6617 -105.6845 -72.4527 558657.1554 0.7455 0.8857 LDB: ============= START OF LOAD BALANCING ============== 5140.2 LDB: ============== END OF LOAD BALANCING =============== 5140.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5140.2 LDB: ============= START OF LOAD BALANCING ============== 5140.51 LDB: Largest compute 4773 load 0.026123 is 22.1% of average load 0.118241 LDB: Average compute 0.001728 is 1.5% of average load 0.118241 LDB: TIME 5140.51 LOAD: AVG 0.118241 MAX 0.214954 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.535 MB LDB: TIME 5140.51 LOAD: AVG 0.118241 MAX 0.214954 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.738 MB LDB: TIME 5140.51 LOAD: AVG 0.118241 MAX 0.214954 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.738 MB LDB: ============== END OF LOAD BALANCING =============== 5140.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5140.52 PRESSURE: 1720400 55.4519 107.471 -86.3245 107.471 74.9457 -135.388 -86.3247 -135.388 258.269 GPRESSURE: 1720400 45.7528 168.328 -43.1565 57.0981 162.608 -77.7885 -89.7688 -132.806 271.489 PRESSAVG: 1720400 15.1952 0.336719 -19.2441 0.336815 -20.901 -13.0624 -19.244 -13.0623 16.2814 GPRESSAVG: 1720400 14.6532 2.29093 -18.8388 0.845285 -19.4551 -12.0035 -18.9456 -13.4371 15.6028 TIMING: 1720400 CPU: 5137.27, 0.00309071/step Wall: 5137.27, 0.00309071/step, 2.81564 hours remaining, 207.023438 MB of memory in use. ENERGY: 1720400 741.7119 2054.5217 1933.4777 129.2439 -206260.9528 18005.3291 0.0000 0.0000 34270.1248 -149126.5438 299.2895 -183396.6686 -149036.8558 299.0852 129.5555 159.9497 557228.9482 3.5252 3.6003 PRESSURE: 1720600 -241.176 116.725 24.6008 116.725 -247.024 -208.656 24.6004 -208.656 312.771 GPRESSURE: 1720600 -180.674 14.5272 3.01346 189.512 -174.831 -214.632 43.8993 -173.154 285.156 PRESSAVG: 1720600 28.8473 9.7661 -12.9895 9.76605 -27.7234 47.3607 -12.9896 47.3607 23.7943 GPRESSAVG: 1720600 29.8527 9.11319 -14.961 10.7154 -29.0747 44.9762 -14.9734 47.7821 24.1928 TIMING: 1720600 CPU: 5137.87, 0.003002/step Wall: 5137.87, 0.003002/step, 2.73465 hours remaining, 207.023438 MB of memory in use. ENERGY: 1720600 713.4661 2080.3835 1917.0677 120.3491 -205806.0336 17533.2744 0.0000 0.0000 34258.2390 -149183.2536 299.1857 -183441.4927 -149084.8444 298.9917 -58.4761 -23.4497 557440.5995 8.3061 8.3236 PRESSURE: 1720800 121.268 -30.3756 28.4989 -30.3746 128.877 -77.4257 28.4982 -77.427 230.33 GPRESSURE: 1720800 155.748 -69.5121 24.1964 -69.0051 134.885 -56.5513 70.1504 -114.527 292.966 PRESSAVG: 1720800 -2.50819 21.978 33.9223 21.9781 -12.9449 -13.236 33.9224 -13.2358 -7.40244 GPRESSAVG: 1720800 -2.50262 21.4258 34.2452 23.4389 -12.7848 -10.664 35.0142 -13.7238 -7.66095 TIMING: 1720800 CPU: 5138.47, 0.00298848/step Wall: 5138.47, 0.00298848/step, 2.72218 hours remaining, 207.023438 MB of memory in use. ENERGY: 1720800 736.4499 2057.9876 1959.9870 114.6413 -206344.3221 17873.6374 0.0000 0.0000 34444.0212 -149157.5977 300.8082 -183601.6189 -149073.1604 299.6298 160.1582 194.5331 556431.5801 -7.6185 -7.6495 PRESSURE: 1721000 238.085 -14.6342 102.806 -14.6342 22.039 80.8551 102.807 80.8549 -168.289 GPRESSURE: 1721000 287.506 -28.0082 83.4422 -37.973 68.6872 24.6054 96.3141 148.088 -159.133 PRESSAVG: 1721000 38.984 6.2838 20.7787 6.28382 -27.9492 32.0846 20.7788 32.0845 17.2219 GPRESSAVG: 1721000 38.1448 6.84981 20.672 3.50524 -28.3532 30.5993 20.6888 33.7131 18.2094 TIMING: 1721000 CPU: 5139.07, 0.00301112/step Wall: 5139.07, 0.00301112/step, 2.74263 hours remaining, 207.023438 MB of memory in use. ENERGY: 1721000 720.5013 2110.9253 1946.1168 110.2958 -206087.9717 17772.1228 0.0000 0.0000 34242.4793 -149185.5304 299.0481 -183428.0097 -149088.5484 299.5580 30.6117 65.6869 557864.8806 9.4189 9.3337 PRESSURE: 1721200 -336.192 -41.8531 65.9818 -41.8532 57.916 165.388 65.9819 165.389 -163.525 GPRESSURE: 1721200 -276.897 -25.8093 58.9715 -21.81 112.078 223.029 80.7852 73.7218 -173.549 PRESSAVG: 1721200 -9.42779 33.4769 -5.26885 33.477 9.46016 15.874 -5.26891 15.874 14.6707 GPRESSAVG: 1721200 -9.13932 31.8815 -4.52169 34.8279 8.93593 16.2863 -4.80759 13.6704 14.9993 TIMING: 1721200 CPU: 5139.66, 0.002974/step Wall: 5139.66, 0.002974/step, 2.70866 hours remaining, 207.023438 MB of memory in use. ENERGY: 1721200 758.2265 2042.4219 1939.7404 111.0708 -205964.8626 17704.4505 0.0000 0.0000 34038.6874 -149370.2650 297.2683 -183408.9524 -149270.0500 298.8382 -147.2671 -112.7897 557528.0154 4.9010 4.9320 PRESSURE: 1721400 206.885 -12.836 -34.032 -12.8362 166.966 4.08618 -34.0323 4.08555 123.454 GPRESSURE: 1721400 206.505 -36.2768 -10.9468 65.6334 189.57 -6.45846 -42.1052 8.0681 215.591 PRESSAVG: 1721400 83.2996 31.6957 -21.6285 31.6956 -18.728 21.6123 -21.6286 21.6122 -51.774 GPRESSAVG: 1721400 82.0858 33.1385 -22.5395 32.012 -17.6894 19.77 -23.1948 23.5523 -51.483 TIMING: 1721400 CPU: 5140.25, 0.00294718/step Wall: 5140.25, 0.00294718/step, 2.68406 hours remaining, 207.023438 MB of memory in use. ENERGY: 1721400 739.1559 2141.0294 1915.9183 108.6592 -206435.9820 18046.4196 0.0000 0.0000 34100.1996 -149384.6000 297.8055 -183484.7996 -149288.4734 298.3210 165.7684 203.8887 555292.5757 4.2658 4.3045 PRESSURE: 1721600 -223.669 -218.414 110.626 -218.414 -82.5082 64.3808 110.625 64.3798 -197.07 GPRESSURE: 1721600 -223.227 -128.09 33.5065 -244.412 -39.0606 14.9887 88.4792 66.6396 -144.097 PRESSAVG: 1721600 15.1593 -67.7193 48.985 -67.7193 -43.3182 33.1309 48.985 33.1308 47.1389 GPRESSAVG: 1721600 17.2436 -66.6162 51.0501 -67.271 -44.3687 33.6058 47.508 32.736 45.8407 TIMING: 1721600 CPU: 5140.85, 0.00297731/step Wall: 5140.85, 0.00297731/step, 2.71134 hours remaining, 207.023438 MB of memory in use. ENERGY: 1721600 792.4824 2105.2787 1966.9390 125.7174 -206037.2183 17659.4103 0.0000 0.0000 33892.9387 -149494.4517 295.9955 -183387.3904 -149405.2711 298.5742 -167.7490 -135.4615 558350.5718 6.3267 6.2385 PRESSURE: 1721800 30.4033 -67.2568 -179.408 -67.2565 87.8474 -0.886506 -179.408 -0.887507 -191.699 GPRESSURE: 1721800 76.5463 -172.029 -87.8195 -25.8269 83.9465 53.2181 -262.441 -30.605 -134.686 PRESSAVG: 1721800 13.0196 -10.206 4.185 -10.2059 35.5215 -8.34655 4.18508 -8.34673 -67.5285 GPRESSAVG: 1721800 11.5313 -10.625 3.50364 -11.3127 35.799 -6.88857 5.39817 -8.40224 -66.3972 TIMING: 1721800 CPU: 5141.45, 0.00299931/step Wall: 5141.45, 0.00299931/step, 2.73121 hours remaining, 207.023438 MB of memory in use. ENERGY: 1721800 775.8110 2117.2830 1926.9186 105.6056 -206799.4987 18088.0422 0.0000 0.0000 34293.9431 -149491.8951 299.4975 -183785.8382 -149392.8355 298.9303 -24.4829 8.6024 556453.9556 -6.3292 -6.3556 PRESSURE: 1722000 -124.879 -133.56 16.8281 -133.56 -2.7447 -59.6158 16.829 -59.6147 -83.4935 GPRESSURE: 1722000 -91.4807 -110.1 -23.7185 -232.397 26.2343 -174.281 50.6096 23.6678 -50.2861 PRESSAVG: 1722000 -43.0919 -2.38012 -11.0391 -2.38008 41.0077 -24.4561 -11.0391 -24.4561 -10.0612 GPRESSAVG: 1722000 -42.477 -1.77101 -10.8588 -3.40149 41.4169 -25.3088 -9.14428 -24.0954 -10.8473 TIMING: 1722000 CPU: 5142.05, 0.00298816/step Wall: 5142.05, 0.00298816/step, 2.72088 hours remaining, 207.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1722000 739.6941 2113.4641 1939.5565 120.8538 -206600.5176 17832.4388 0.0000 0.0000 34509.5106 -149344.9998 301.3801 -183854.5103 -149246.7230 298.4726 -70.3723 -38.5108 558005.6339 -4.0485 -3.9692 PRESSURE: 1722200 -17.984 24.5713 -27.6352 24.5698 147.867 32.4289 -27.6345 32.4288 -19.1938 GPRESSURE: 1722200 39.5854 55.5148 -34.6242 80.1037 154.708 25.617 9.86207 27.4963 5.33696 PRESSAVG: 1722200 -48.3558 -36.922 -16.3322 -36.9219 -8.92849 -15.7509 -16.3322 -15.7509 66.1146 GPRESSAVG: 1722200 -47.5296 -35.0272 -14.6514 -36.1303 -8.5644 -15.8676 -16.7282 -17.281 65.4571 TIMING: 1722200 CPU: 5142.65, 0.00300864/step Wall: 5142.65, 0.00300864/step, 2.73937 hours remaining, 207.023438 MB of memory in use. ENERGY: 1722200 749.6371 2119.6177 1930.0857 108.6627 -206437.8964 17934.3913 0.0000 0.0000 34296.9883 -149298.5136 299.5241 -183595.5020 -149206.1549 298.7115 36.8964 66.5434 557289.9275 2.9434 3.1210 PRESSURE: 1722400 -411.735 18.2555 78.7248 18.2556 -271.42 -56.26 78.7241 -56.2617 -276.398 GPRESSURE: 1722400 -326.274 38.9283 -29.9767 3.67617 -304.821 -13.6695 140.488 -63.8375 -232.1 PRESSAVG: 1722400 6.97022 34.0249 -3.45818 34.0249 23.1925 -41.1022 -3.45818 -41.1023 -23.2709 GPRESSAVG: 1722400 6.70879 33.2923 -6.99052 34.5058 23.412 -41.0517 -3.18489 -39.9988 -23.3931 TIMING: 1722400 CPU: 5143.25, 0.00299902/step Wall: 5143.25, 0.00299902/step, 2.73044 hours remaining, 207.023438 MB of memory in use. ENERGY: 1722400 773.0284 2136.2427 1957.8723 135.4378 -205864.4354 17396.6218 0.0000 0.0000 34126.2064 -149339.0260 298.0326 -183465.2324 -149240.4322 298.6649 -319.8513 -287.7319 558596.2987 2.2973 2.2426 PRESSURE: 1722600 126.195 262.22 -27.8718 262.221 -11.7934 -75.4747 -27.871 -75.4755 228.344 GPRESSURE: 1722600 141.055 192.651 -46.8109 293.181 49.737 -122.8 -38.1761 -37.9876 247.325 PRESSAVG: 1722600 65.9797 8.18645 -38.7471 8.18651 -78.6292 -29.4476 -38.7471 -29.4475 -1.42617 GPRESSAVG: 1722600 64.3751 6.7868 -33.9091 9.29806 -78.5681 -29.1576 -40.2254 -30.0347 -0.147326 TIMING: 1722600 CPU: 5143.85, 0.0029935/step Wall: 5143.85, 0.0029935/step, 2.72525 hours remaining, 207.023438 MB of memory in use. ENERGY: 1722600 774.9679 2136.1978 1920.9715 101.2321 -206739.7879 18113.6360 0.0000 0.0000 34327.7174 -149365.0652 299.7925 -183692.7826 -149271.3162 298.7486 114.2488 146.0391 557591.2497 -4.6919 -4.7801 PRESSURE: 1722800 -41.9227 48.0068 69.7201 48.007 89.7232 -58.4384 69.722 -58.4375 -90.8023 GPRESSURE: 1722800 24.1487 47.0673 58.2582 81.2311 114.555 -82.063 104.929 -104.665 -104.208 PRESSAVG: 1722800 55.1425 43.9952 36.0774 43.9952 -45.7297 -4.52097 36.0773 -4.52105 -21.5486 GPRESSAVG: 1722800 56.0893 43.8028 31.8905 43.17 -46.8444 -4.87321 39.7874 -1.81525 -20.7641 TIMING: 1722800 CPU: 5144.44, 0.00298136/step Wall: 5144.44, 0.00298136/step, 2.71403 hours remaining, 207.023438 MB of memory in use. ENERGY: 1722800 805.2005 2062.2481 1959.2850 113.4166 -206635.7006 17991.1195 0.0000 0.0000 34366.8352 -149337.5958 300.1341 -183704.4310 -149244.3643 299.0501 -14.3339 11.4984 557883.3341 -4.0452 -3.8397 PRESSURE: 1723000 177.532 -97.363 40.8727 -97.3645 -236.828 -184.437 40.8727 -184.437 72.2668 GPRESSURE: 1723000 186.642 -144.305 80.3892 -9.81633 -148.32 -220.403 8.56807 -80.0914 69.1074 PRESSAVG: 1723000 30.1352 -5.20233 -36.5765 -5.20238 -77.1825 -27.4661 -36.5764 -27.4662 49.6155 GPRESSAVG: 1723000 30.1863 -4.91015 -35.8906 -5.79752 -76.0206 -26.1179 -38.5694 -29.3695 49.5382 TIMING: 1723000 CPU: 5145.04, 0.00297385/step Wall: 5145.04, 0.00297385/step, 2.70703 hours remaining, 207.023438 MB of memory in use. ENERGY: 1723000 787.9401 2100.5831 1953.3888 126.6828 -206313.0043 17933.8738 0.0000 0.0000 34007.1604 -149403.3753 296.9930 -183410.5357 -149306.1722 298.3347 4.3236 35.8097 558762.0081 0.8561 1.2346 PRESSURE: 1723200 -214.031 72.7083 -15.3089 72.7075 -50.596 -55.5002 -15.3095 -55.5014 -350.283 GPRESSURE: 1723200 -251.294 80.8847 87.5724 1.7208 -21.2389 -27.0594 -124.263 -17.5396 -245.985 PRESSAVG: 1723200 32.7137 -31.5547 -12.4875 -31.5548 -56.8229 -50.1598 -12.4875 -50.1597 4.53235 GPRESSAVG: 1723200 33.4859 -32.224 -10.6857 -30.8723 -57.5798 -48.7575 -13.8354 -51.4422 4.7529 TIMING: 1723200 CPU: 5145.64, 0.00300583/step Wall: 5145.64, 0.00300583/step, 2.73598 hours remaining, 207.023438 MB of memory in use. ENERGY: 1723200 769.2279 2096.8645 1918.0657 101.6678 -206189.9962 17560.0376 0.0000 0.0000 34311.8283 -149432.3045 299.6537 -183744.1328 -149328.6485 298.9655 -204.9699 -172.8391 557786.4174 -6.5256 -6.4470 PRESSURE: 1723400 -134.964 -86.8938 -10.9193 -86.8948 -340.752 -61.0469 -10.9209 -61.0478 257.859 GPRESSURE: 1723400 -92.2155 -88.6495 20.7282 -174.665 -262.108 47.0785 -49.7455 -20.4576 246.028 PRESSAVG: 1723400 -0.309029 -53.7569 -13.7419 -53.7569 -26.7579 -81.6293 -13.742 -81.6293 43.3193 GPRESSAVG: 1723400 -0.804521 -51.7962 -17.1149 -53.895 -25.1264 -82.8088 -11.9973 -81.4902 42.4813 TIMING: 1723400 CPU: 5146.24, 0.00300333/step Wall: 5146.24, 0.00300333/step, 2.73353 hours remaining, 207.023438 MB of memory in use. ENERGY: 1723400 773.6780 2148.3274 1960.3113 110.2324 -206057.3278 17491.4014 0.0000 0.0000 34006.3381 -149567.0393 296.9858 -183573.3774 -149474.9888 298.7604 -72.6190 -36.0986 556498.9028 5.4174 5.5168 PRESSURE: 1723600 -98.3638 -232.112 -88.6644 -232.112 -203.766 -135.636 -88.6642 -135.635 -105.155 GPRESSURE: 1723600 -110.269 -230.696 -142.224 -217.859 -131.236 -161.515 -76.4511 -127.038 -65.4889 PRESSAVG: 1723600 -14.1691 -25.8302 -14.7059 -25.8302 -20.0599 -61.2335 -14.706 -61.2335 38.7302 GPRESSAVG: 1723600 -15.0343 -28.7323 -13.4725 -24.839 -19.2247 -59.431 -15.4016 -61.5872 38.6303 TIMING: 1723600 CPU: 5146.84, 0.00299449/step Wall: 5146.84, 0.00299449/step, 2.72532 hours remaining, 207.023438 MB of memory in use. ENERGY: 1723600 804.5496 2029.2331 1947.9989 115.2598 -206282.2392 17708.8847 0.0000 0.0000 34342.0064 -149334.3067 299.9173 -183676.3131 -149235.7893 298.3974 -135.7615 -102.3314 556090.6066 1.5004 1.4571 PRESSURE: 1723800 -52.4122 -28.6209 165.28 -28.6212 30.8323 -181.96 165.281 -181.96 37.3409 GPRESSURE: 1723800 -35.3924 15.1921 109.833 28.2912 68.8602 -126.652 166.783 -236.977 79.5873 PRESSAVG: 1723800 28.0666 -57.4179 -18.8778 -57.418 -11.6345 -42.6799 -18.8778 -42.6799 -19.7013 GPRESSAVG: 1723800 29.3461 -55.5391 -20.2379 -58.5982 -13.7053 -44.3214 -17.0542 -43.7354 -18.726 TIMING: 1723800 CPU: 5147.44, 0.00299775/step Wall: 5147.44, 0.00299775/step, 2.72812 hours remaining, 207.023438 MB of memory in use. ENERGY: 1723800 764.1080 2057.7133 1920.4684 110.1119 -206265.1680 17664.0037 0.0000 0.0000 34337.0846 -149411.6783 299.8743 -183748.7628 -149321.7246 299.2282 5.2536 37.6850 556615.0201 -1.0897 -1.0284 PRESSURE: 1724000 47.1392 24.5208 -92.3106 24.5204 -103.637 -57.38 -92.3108 -57.3807 191.25 GPRESSURE: 1724000 139.597 -43.3194 -125.881 17.2771 -130.367 -101.694 -85.7004 -81.5844 221.102 PRESSAVG: 1724000 1.89401 -5.45209 -20.0743 -5.45204 -5.02556 -10.7568 -20.0742 -10.7566 26.5651 GPRESSAVG: 1724000 1.37961 -7.48301 -18.778 -4.49742 -3.72021 -9.57736 -22.8113 -10.169 25.7283 TIMING: 1724000 CPU: 5148.03, 0.00297689/step Wall: 5148.03, 0.00297689/step, 2.70897 hours remaining, 207.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1724000 729.9001 2033.1248 1928.7084 114.5979 -206580.0955 17966.8278 0.0000 0.0000 34314.8249 -149492.1116 299.6799 -183806.9365 -149393.8776 298.9308 44.9177 76.7777 555885.7691 7.8112 7.7959 PRESSURE: 1724200 215.473 -37.2606 -104.444 -37.2595 59.8781 100.393 -104.445 100.393 71.1289 GPRESSURE: 1724200 264.77 -0.563193 -33.1914 -76.0443 80.8061 138.956 -133.828 71.9474 107.174 PRESSAVG: 1724200 1.85967 -40.8203 8.98984 -40.8203 38.3679 6.21491 8.98982 6.21483 -57.1158 GPRESSAVG: 1724200 1.27397 -40.4423 11.2882 -40.8992 38.7535 7.63987 9.55205 5.89137 -56.7726 TIMING: 1724200 CPU: 5148.62, 0.00295667/step Wall: 5148.62, 0.00295667/step, 2.6904 hours remaining, 207.023438 MB of memory in use. ENERGY: 1724200 736.2005 2060.8658 1936.2098 104.6302 -206648.1723 18116.0707 0.0000 0.0000 34345.1791 -149349.0162 299.9450 -183694.1953 -149260.3209 298.5736 115.4934 150.9166 556244.6068 -5.6294 -5.5817 LDB: ============= START OF LOAD BALANCING ============== 5152.17 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5152.17 LDB: =============== DONE WITH MIGRATION ================ 5152.17 LDB: ============= START OF LOAD BALANCING ============== 5152.47 LDB: Largest compute 4772 load 0.029070 is 24.6% of average load 0.118184 LDB: Average compute 0.001719 is 1.5% of average load 0.118184 LDB: TIME 5152.47 LOAD: AVG 0.118184 MAX 0.210178 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.934 MB LDB: TIME 5152.47 LOAD: AVG 0.118184 MAX 0.210178 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.934 MB LDB: TIME 5152.47 LOAD: AVG 0.118184 MAX 0.210178 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.934 MB LDB: ============== END OF LOAD BALANCING =============== 5152.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5152.48 PRESSURE: 1724400 31.2118 -3.75566 9.02545 -3.75663 13.4426 87.832 9.0257 87.8317 94.0451 GPRESSURE: 1724400 141.546 -7.85099 100.616 -5.10309 1.45712 102.525 -88.1844 62.9269 103.303 PRESSAVG: 1724400 116.346 -8.53091 -60.5795 -8.53088 -7.48777 13.6732 -60.5795 13.6732 -82.6793 GPRESSAVG: 1724400 117.531 -9.38861 -61.1452 -8.2239 -8.188 12.7274 -59.8749 11.9797 -82.8678 TIMING: 1724400 CPU: 5149.23, 0.00302175/step Wall: 5149.23, 0.00302175/step, 2.74946 hours remaining, 206.511719 MB of memory in use. ENERGY: 1724400 740.4876 2024.6336 1952.5343 122.2362 -206158.3075 17923.7282 0.0000 0.0000 34059.6117 -149335.0760 297.4511 -183394.6877 -149235.3859 298.5455 46.2332 82.1018 557061.9482 8.7264 8.8252 PRESSURE: 1724600 26.6922 -51.8248 -129.851 -51.8247 89.9426 162.084 -129.853 162.083 -176.079 GPRESSURE: 1724600 77.9703 -90.6833 -155.783 -14.7222 53.5254 140.932 -67.7726 288.692 -99.3182 PRESSAVG: 1724600 42.9929 -15.0982 -22.5918 -15.0981 56.9873 -18.0859 -22.5919 -18.0859 -101.306 GPRESSAVG: 1724600 41.9999 -15.037 -22.5368 -15.0279 57.7932 -18.103 -24.4486 -15.7105 -101.699 TIMING: 1724600 CPU: 5149.82, 0.00297202/step Wall: 5149.82, 0.00297202/step, 2.70404 hours remaining, 206.511719 MB of memory in use. ENERGY: 1724600 751.4830 2062.2220 1927.7660 107.4179 -206019.7159 17788.0701 0.0000 0.0000 34138.8326 -149243.9244 298.1429 -183382.7569 -149156.2722 299.4383 -19.8148 10.7258 556809.6110 -0.4419 -0.6352 PRESSURE: 1724800 -0.38331 -196.265 87.5563 -196.264 -63.3264 87.9743 87.5561 87.9743 82.8568 GPRESSURE: 1724800 8.11528 -169.431 56.5452 -280.656 -6.86412 65.5566 9.74876 84.8486 109.717 PRESSAVG: 1724800 51.0802 -32.8146 11.7463 -32.8146 -53.5679 -14.514 11.7463 -14.514 -5.37051 GPRESSAVG: 1724800 52.2514 -30.3887 11.8122 -34.702 -54.3961 -15.966 12.6873 -13.6188 -5.53893 TIMING: 1724800 CPU: 5150.42, 0.00298182/step Wall: 5150.42, 0.00298182/step, 2.71279 hours remaining, 206.511719 MB of memory in use. ENERGY: 1724800 682.4266 2027.4510 1930.3349 110.9802 -206273.6984 17849.2352 0.0000 0.0000 34479.5870 -149193.6834 301.1188 -183673.2704 -149093.0897 299.0857 6.3823 36.9894 555742.9350 -2.6194 -2.5612 PRESSURE: 1725000 -75.3071 -125.139 5.87149 -125.139 -186.269 103.701 5.87292 103.701 -112.601 GPRESSURE: 1725000 -40.1131 -182.768 23.6739 9.94674 -163.974 60.2087 -23.4081 115.192 -68.4864 PRESSAVG: 1725000 -23.2846 -30.7013 -43.3513 -30.7013 0.220771 -44.3565 -43.3513 -44.3566 -15.2835 GPRESSAVG: 1725000 -24.4901 -30.2712 -44.1362 -32.055 0.145472 -43.1154 -43.8602 -46.4159 -14.3236 TIMING: 1725000 CPU: 5151.01, 0.00295724/step Wall: 5151.01, 0.00295724/step, 2.69027 hours remaining, 206.511719 MB of memory in use. ENERGY: 1725000 733.3147 2028.2713 1949.2861 99.9037 -206087.7987 17752.4681 0.0000 0.0000 34413.3359 -149111.2189 300.5402 -183524.5548 -149012.4928 299.2430 -124.7259 -90.8578 557212.7798 -12.7824 -12.8894 PRESSURE: 1725200 314.681 -47.5706 -7.61493 -47.5705 280.019 47.0248 -7.61439 47.0267 139.029 GPRESSURE: 1725200 370.898 -23.8163 -31.6479 -110.285 271.71 -4.52712 6.68866 45.0199 178.948 PRESSAVG: 1725200 34.9321 -20.4602 24.2001 -20.4602 24.2916 -3.21931 24.2 -3.21931 -21.824 GPRESSAVG: 1725200 35.0786 -22.4254 23.7166 -17.7667 24.1385 -4.01007 25.8069 -2.43054 -21.4714 TIMING: 1725200 CPU: 5151.6, 0.00296989/step Wall: 5151.6, 0.00296989/step, 2.70161 hours remaining, 206.511719 MB of memory in use. ENERGY: 1725200 710.1916 2088.7969 1935.8381 116.7328 -206288.4618 18028.4604 0.0000 0.0000 34295.0854 -149113.3566 299.5075 -183408.4420 -149022.7993 299.0562 244.5764 273.8519 556109.8138 12.4666 12.5819 PRESSURE: 1725400 -153.393 -80.3073 40.4076 -80.3078 37.8606 -22.7383 40.4082 -22.7386 101.503 GPRESSURE: 1725400 -141.751 -188.527 57.4618 -87.8081 54.4766 15.3608 -25.691 -55.2545 171.07 PRESSAVG: 1725400 -25.5669 8.06886 -5.36699 8.06879 -27.0485 -28.3482 -5.36692 -28.3482 10.6337 GPRESSAVG: 1725400 -25.9393 9.88383 -5.0484 6.38341 -26.9334 -29.2158 -5.22126 -27.3452 10.5237 TIMING: 1725400 CPU: 5152.2, 0.0029775/step Wall: 5152.2, 0.0029775/step, 2.70837 hours remaining, 206.511719 MB of memory in use. ENERGY: 1725400 748.0127 2119.6275 1968.6224 103.2449 -205969.9446 17723.9246 0.0000 0.0000 34159.8602 -149146.6523 298.3266 -183306.5125 -149054.5358 298.4127 -4.6765 27.9322 556525.1478 -13.9939 -14.1163 PRESSURE: 1725600 -29.7321 -65.4279 -4.53975 -65.4278 -160.34 -12.4116 -4.53985 -12.413 -100 GPRESSURE: 1725600 53.6566 -43.7921 -0.440977 -111.364 -113.019 -23.3063 -58.6675 58.694 -120.457 PRESSAVG: 1725600 -72.3672 35.4016 -1.96916 35.4016 11.7403 17.3367 -1.96917 17.3367 67.3226 GPRESSAVG: 1725600 -72.7115 34.779 -0.356001 36.6356 12.188 17.3741 -4.93861 17.5818 67.8121 TIMING: 1725600 CPU: 5152.79, 0.00296942/step Wall: 5152.79, 0.00296942/step, 2.70085 hours remaining, 206.511719 MB of memory in use. ENERGY: 1725600 735.4688 2056.7208 1944.1652 113.1970 -205662.6197 17453.5282 0.0000 0.0000 34158.9344 -149200.6053 298.3185 -183359.5398 -149099.9026 299.2541 -96.6906 -59.9400 557973.9122 2.2319 2.4295 PRESSURE: 1725800 372.936 4.70115 -85.4907 4.70117 301.723 9.11581 -85.4909 9.11617 -42.7973 GPRESSURE: 1725800 391.714 52.1222 -33.1778 45.5897 312.259 -94.8795 -157.025 129.472 28.7835 PRESSAVG: 1725800 -12.2279 42.6635 -21.3407 42.6634 42.7659 -21.6649 -21.3407 -21.665 1.49806 GPRESSAVG: 1725800 -11.9293 40.4978 -23.3406 44.1156 42.936 -21.585 -18.6078 -21.7711 1.10223 TIMING: 1725800 CPU: 5153.39, 0.00297364/step Wall: 5153.39, 0.00297364/step, 2.70453 hours remaining, 206.511719 MB of memory in use. ENERGY: 1725800 691.1450 2040.9265 1930.1398 111.5640 -206792.6720 18270.2180 0.0000 0.0000 34384.3621 -149364.3167 300.2872 -183748.6788 -149265.7180 298.4746 210.6206 244.2524 556541.5317 10.6787 10.7030 PRESSURE: 1726000 -9.89665 -33.3098 -75.7071 -33.3109 -62.1545 -136.223 -75.7088 -136.224 -296.577 GPRESSURE: 1726000 17.772 -9.97972 -6.98501 -25.4697 -42.7524 -173.622 -240.613 -126.345 -235.96 PRESSAVG: 1726000 -28.4798 69.9384 -38.2824 69.9383 -31.213 -14.3397 -38.2824 -14.3396 38.8206 GPRESSAVG: 1726000 -28.9738 72.0879 -36.8676 68.0804 -30.7672 -14.0692 -39.7038 -14.1971 38.6691 TIMING: 1726000 CPU: 5153.99, 0.0030049/step Wall: 5153.99, 0.0030049/step, 2.73279 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1726000 744.7312 2049.9715 1942.1010 109.1164 -205954.8833 17695.7860 0.0000 0.0000 34139.3452 -149273.8320 298.1474 -183413.1772 -149177.4307 298.5186 -122.8761 -86.9801 558946.2917 -6.9574 -7.0240 PRESSURE: 1726200 -126.924 -41.1848 -80.908 -41.1847 82.5693 -66.1136 -80.9075 -66.1143 -71.6003 GPRESSURE: 1726200 -62.9451 86.7034 -35.2731 -149.366 90.6811 -88.7606 -50.3 -74.0733 -32.1601 PRESSAVG: 1726200 -25.8712 -32.7624 -11.2173 -32.7624 2.13209 -49.8288 -11.2172 -49.8288 -19.9695 GPRESSAVG: 1726200 -25.4278 -32.4632 -11.3479 -32.5336 1.61075 -47.5311 -11.6132 -49.6317 -19.2298 TIMING: 1726200 CPU: 5154.59, 0.00300295/step Wall: 5154.59, 0.00300295/step, 2.73085 hours remaining, 206.511719 MB of memory in use. ENERGY: 1726200 713.7000 2067.1745 1939.6895 116.6968 -206351.5393 17969.8753 0.0000 0.0000 34238.5021 -149305.9011 299.0134 -183544.4032 -149209.7757 299.6582 -38.6516 -1.4747 558132.3738 -14.5695 -14.3490 PRESSURE: 1726400 201.332 -57.6152 -36.1816 -57.6149 486.833 -37.9126 -36.1827 -37.9118 27.1263 GPRESSURE: 1726400 219.132 -4.93928 83.3426 -184.784 523.06 -33.914 -54.9961 -64.8214 64.3668 PRESSAVG: 1726400 -21.275 4.35198 47.7751 4.35194 48.3738 -59.8548 47.7752 -59.8549 -11.8447 GPRESSAVG: 1726400 -19.7829 4.99446 49.9104 3.73318 47.3215 -61.9338 48.4143 -60.1331 -12.2951 TIMING: 1726400 CPU: 5155.19, 0.00302332/step Wall: 5155.19, 0.00302332/step, 2.74921 hours remaining, 206.511719 MB of memory in use. ENERGY: 1726400 736.4461 2083.3432 1934.3665 112.2242 -206514.0858 18086.8051 0.0000 0.0000 34490.8085 -149070.0923 301.2168 -183560.9008 -148973.3397 299.0680 238.4304 268.8528 556670.0395 5.0847 5.0812 PRESSURE: 1726600 84.0031 48.6408 -54.3117 48.6413 -155.674 122.062 -54.3111 122.063 -128.438 GPRESSURE: 1726600 109.661 9.21284 -88.0796 46.3999 -85.9669 102.995 -43.41 205.523 -143.67 PRESSAVG: 1726600 -2.51048 -19.7078 -44.0952 -19.7079 16.3593 -13.4048 -44.0954 -13.4048 24.6007 GPRESSAVG: 1726600 -4.9904 -19.0944 -45.1909 -20.8648 16.8534 -12.8898 -44.7963 -16.6615 26.0107 TIMING: 1726600 CPU: 5155.8, 0.00301106/step Wall: 5155.8, 0.00301106/step, 2.73789 hours remaining, 206.511719 MB of memory in use. ENERGY: 1726600 770.1376 2037.8814 1940.6718 112.2317 -205615.7990 17532.6225 0.0000 0.0000 34309.7485 -148912.5054 299.6356 -183222.2540 -148817.4404 299.5905 -66.7031 -39.9920 557108.0459 12.8165 12.6246 PRESSURE: 1726800 -50.5751 -42.4508 67.2182 -42.4507 -208.36 93.3376 67.2181 93.3377 29.5814 GPRESSURE: 1726800 -6.88705 10.8865 55.6163 -15.1012 -165.422 145.257 89.5067 87.298 51.8343 PRESSAVG: 1726800 43.4386 -21.3948 3.61693 -21.3948 -42.5193 2.44314 3.61693 2.44305 -24.9059 GPRESSAVG: 1726800 44.1208 -23.261 2.1677 -20.727 -42.435 2.86282 6.04188 5.67859 -26.5162 TIMING: 1726800 CPU: 5156.4, 0.00303119/step Wall: 5156.4, 0.00303119/step, 2.75602 hours remaining, 206.511719 MB of memory in use. ENERGY: 1726800 750.3281 2116.3271 1939.9570 107.8885 -205978.4559 17738.6053 0.0000 0.0000 34253.3905 -149071.9595 299.1434 -183325.3500 -148980.9075 299.6655 -76.4513 -40.1583 557044.0061 -7.9956 -8.2768 PRESSURE: 1727000 -158.4 27.8478 121.443 27.8469 -37.2775 -33.0804 121.441 -33.0807 -262.786 GPRESSURE: 1727000 -139.342 155.528 61.8364 23.122 -10.4266 -27.9551 147.24 -8.36162 -207.741 PRESSAVG: 1727000 31.1564 -1.57316 -25.4487 -1.57328 -39.2039 -6.35103 -25.4487 -6.35091 53.7943 GPRESSAVG: 1727000 31.7764 -0.480001 -23.2345 -2.61016 -39.4471 -6.12219 -27.3389 -7.56836 53.2495 TIMING: 1727000 CPU: 5157, 0.00299366/step Wall: 5157, 0.00299366/step, 2.72174 hours remaining, 206.511719 MB of memory in use. ENERGY: 1727000 753.3919 2112.8469 1925.0485 97.3538 -206073.0506 17567.0817 0.0000 0.0000 34314.1458 -149303.1820 299.6740 -183617.3278 -149212.7378 298.8101 -152.8211 -119.1699 557400.3389 15.2489 15.1929 PRESSURE: 1727200 -123.519 -128.416 -47.343 -128.415 -313.411 -77.7006 -47.3439 -77.701 42.8289 GPRESSURE: 1727200 -105.399 -50.6512 -57.1249 -123.324 -319.015 -152.63 -71.5148 -80.3957 119.632 PRESSAVG: 1727200 97.0331 -8.42792 10.0267 -8.42792 -46.3865 -15.5271 10.0267 -15.527 -47.2382 GPRESSAVG: 1727200 97.6189 -9.03302 8.09547 -6.04135 -47.7588 -17.9496 11.68 -13.875 -46.6227 TIMING: 1727200 CPU: 5157.6, 0.00299733/step Wall: 5157.6, 0.00299733/step, 2.7249 hours remaining, 206.511719 MB of memory in use. ENERGY: 1727200 725.2216 2110.5979 1929.0082 104.9422 -206334.0496 17791.3535 0.0000 0.0000 34246.8690 -149426.0572 299.0864 -183672.9263 -149331.6711 298.1313 -131.3668 -101.5941 559344.5674 1.1361 1.0791 PRESSURE: 1727400 -371.649 102.001 109.863 102.001 -195.218 40.6697 109.863 40.6682 -84.8749 GPRESSURE: 1727400 -335.814 187.573 135.559 -10.2154 -162.793 -24.9876 62.1748 32.0031 -65.8267 PRESSAVG: 1727400 13.4249 7.24265 -14.5048 7.24268 -37.6922 -39.3337 -14.5049 -39.3337 29.5361 GPRESSAVG: 1727400 11.9572 8.29424 -14.4505 6.42394 -36.3697 -36.865 -15.186 -39.584 29.9665 TIMING: 1727400 CPU: 5158.21, 0.0030218/step Wall: 5158.21, 0.0030218/step, 2.74699 hours remaining, 206.511719 MB of memory in use. ENERGY: 1727400 762.9090 2083.4024 1949.3190 122.4408 -205600.2889 17439.6893 0.0000 0.0000 33947.8215 -149294.7068 296.4748 -183242.5284 -149203.6180 298.9263 -217.2471 -188.1445 558640.8776 1.7563 1.8513 PRESSURE: 1727600 -24.1372 -1.31329 -24.787 -1.31377 111.053 -6.22014 -24.7872 -6.21941 -101.989 GPRESSURE: 1727600 24.2737 30.8558 -51.1673 18.569 126.594 -1.31082 -18.6619 61.8911 -69.8703 PRESSAVG: 1727600 22.1277 3.80327 -4.6631 3.80324 -45.0563 46.7274 -4.66308 46.7273 18.0015 GPRESSAVG: 1727600 22.8638 3.4467 -1.53565 5.97252 -45.3334 46.4147 -5.85296 45.8353 17.6026 TIMING: 1727600 CPU: 5158.8, 0.00298991/step Wall: 5158.8, 0.00298991/step, 2.71783 hours remaining, 206.511719 MB of memory in use. ENERGY: 1727600 770.4220 2059.3022 1925.4165 112.7510 -206380.9270 17947.4860 0.0000 0.0000 34124.6465 -149440.9028 298.0190 -183565.5493 -149358.6615 297.8680 -5.0245 26.9990 557115.4220 -1.6424 -1.6223 PRESSURE: 1727800 39.1422 202.792 96.9547 202.793 -117.014 -77.0286 96.955 -77.0284 -161.898 GPRESSURE: 1727800 58.6985 291.684 137.654 200.613 -70.284 -135.1 52.6839 -137.154 -135.506 PRESSAVG: 1727800 -10.3749 18.4479 -25.4756 18.4479 21.3101 18.9234 -25.4755 18.9234 -24.0577 GPRESSAVG: 1727800 -11.0085 19.5402 -25.0497 15.6313 22.0596 19.1217 -25.6572 18.6491 -23.9677 TIMING: 1727800 CPU: 5159.4, 0.00299958/step Wall: 5159.4, 0.00299958/step, 2.72645 hours remaining, 206.511719 MB of memory in use. ENERGY: 1727800 725.6268 2084.4725 1944.1543 116.4592 -206023.7502 17687.4951 0.0000 0.0000 34084.6679 -149380.8742 297.6699 -183465.5421 -149284.5673 298.4430 -79.9233 -49.0305 559891.4418 -4.3742 -4.3055 PRESSURE: 1728000 37.1015 -98.3526 69.9375 -98.3518 128.476 72.897 69.9388 72.8977 111.688 GPRESSURE: 1728000 42.794 -53.2067 58.873 -54.0521 193.947 13.4077 204.026 54.9695 150.237 PRESSAVG: 1728000 18.0687 33.2755 50.301 33.2755 4.54022 -62.2278 50.301 -62.2278 7.89496 GPRESSAVG: 1728000 18.6568 30.967 48.4218 34.7061 4.80384 -62.8654 52.5315 -62.6545 6.94624 TIMING: 1728000 CPU: 5160, 0.00299698/step Wall: 5160, 0.00299698/step, 2.72392 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1728000 721.5578 2063.4531 1948.1185 115.2228 -206512.4273 18062.9048 0.0000 0.0000 34178.4198 -149422.7506 298.4886 -183601.1704 -149326.9463 298.6577 92.4219 128.9929 559066.1543 10.1680 10.1356 PRESSURE: 1728200 116.039 -39.904 -108.721 -39.9033 -69.8354 117.377 -108.721 117.377 27.4712 GPRESSURE: 1728200 127.252 -81.1882 -28.565 65.2344 -34.731 141.708 -94.7495 137.099 79.2286 PRESSAVG: 1728200 -9.9813 -0.46652 19.3027 -0.466503 29.1914 50.8222 19.3027 50.8221 9.02279 GPRESSAVG: 1728200 -10.6142 0.275498 18.9293 -1.56142 29.3766 51.6482 18.7346 52.3874 9.2065 TIMING: 1728200 CPU: 5160.6, 0.00296778/step Wall: 5160.6, 0.00296778/step, 2.69722 hours remaining, 206.511719 MB of memory in use. ENERGY: 1728200 700.3319 2072.6039 1922.7030 105.9014 -206420.1295 17913.7145 0.0000 0.0000 34492.7677 -149212.1072 301.2339 -183704.8748 -149121.9348 299.1134 24.5584 57.2500 559690.5033 9.4109 9.3230 LDB: ============= START OF LOAD BALANCING ============== 5164.14 LDB: ============== END OF LOAD BALANCING =============== 5164.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5164.14 LDB: ============= START OF LOAD BALANCING ============== 5164.44 LDB: Largest compute 4772 load 0.028222 is 23.9% of average load 0.118321 LDB: Average compute 0.001720 is 1.5% of average load 0.118321 LDB: TIME 5164.45 LOAD: AVG 0.118321 MAX 0.210841 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.055 MB LDB: TIME 5164.45 LOAD: AVG 0.118321 MAX 0.210841 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.059 MB LDB: TIME 5164.45 LOAD: AVG 0.118321 MAX 0.210841 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.059 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5164.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5164.45 PRESSURE: 1728400 -16.596 32.0464 -18.8375 32.0454 117.813 160.753 -18.8367 160.753 -208.048 GPRESSURE: 1728400 73.6169 -10.5667 20.2738 8.6311 110.957 92.1433 -122.037 154.094 -169.165 PRESSAVG: 1728400 -3.54222 -34.3554 28.5375 -34.3553 -47.3343 21.9573 28.5375 21.9573 26.6966 GPRESSAVG: 1728400 -2.80482 -33.3132 28.7502 -34.1463 -48.014 21.6767 26.3582 21.3952 26.0617 TIMING: 1728400 CPU: 5161.2, 0.00303684/step Wall: 5161.2, 0.00303684/step, 2.75981 hours remaining, 206.648438 MB of memory in use. ENERGY: 1728400 708.6972 2063.7827 1921.2385 115.5175 -205880.9961 17705.4381 0.0000 0.0000 34052.8961 -149313.4259 297.3924 -183366.3220 -149216.1310 298.4294 -35.6104 5.1366 559644.2121 -8.0600 -8.2524 PRESSURE: 1728600 196.75 -18.6996 25.0822 -18.6988 316.883 -233.557 25.0838 -233.558 194.114 GPRESSURE: 1728600 225.471 20.7746 28.3492 -18.5173 316.93 -161.315 141.074 -255.664 258.767 PRESSAVG: 1728600 24.2263 20.1641 -1.90839 20.164 38.844 -0.42704 -1.90831 -0.427178 -9.6423 GPRESSAVG: 1728600 22.9586 21.3137 -1.03599 19.7361 39.8281 -1.18234 0.466622 -0.0678299 -9.7449 TIMING: 1728600 CPU: 5161.8, 0.00300775/step Wall: 5161.8, 0.00300775/step, 2.73321 hours remaining, 206.917969 MB of memory in use. ENERGY: 1728600 722.5820 2126.9037 1937.1450 122.4204 -206685.6418 18241.1226 0.0000 0.0000 34225.8550 -149309.6131 298.9029 -183535.4681 -149209.4001 299.0587 235.9155 267.0561 557697.1875 17.8093 17.6806 PRESSURE: 1728800 -59.7695 -90.2577 -151.797 -90.2575 -180.127 165.122 -151.796 165.123 -146.053 GPRESSURE: 1728800 -7.2018 -94.256 -75.3896 -120.382 -124.817 42.3343 -165.659 178.626 -146.5 PRESSAVG: 1728800 30.8162 -37.0198 23.0432 -37.0198 -5.62938 -18.5204 23.0432 -18.5205 -26.6287 GPRESSAVG: 1728800 31.3385 -36.3166 22.1339 -37.2784 -6.4582 -16.5745 22.596 -20.0621 -25.8837 TIMING: 1728800 CPU: 5162.4, 0.00297709/step Wall: 5162.4, 0.00297709/step, 2.70518 hours remaining, 206.917969 MB of memory in use. ENERGY: 1728800 734.0172 2033.1695 1937.0816 110.6780 -206001.7093 17603.9149 0.0000 0.0000 34204.5350 -149378.3131 298.7167 -183582.8481 -149286.3316 298.8342 -128.6500 -92.8398 558394.8641 -0.4806 -0.3345 PRESSURE: 1729000 -282.567 -32.0716 102.699 -32.0726 -338.436 -67.2176 102.698 -67.2184 -193.027 GPRESSURE: 1729000 -254.683 -99.09 166.062 30.6884 -313.262 -139.464 106.658 9.08258 -142.646 PRESSAVG: 1729000 -40.7947 3.3585 24.973 3.3585 15.656 -45.7817 24.973 -45.7817 -30.1044 GPRESSAVG: 1729000 -40.1794 1.80351 25.2584 3.32848 14.4304 -47.2908 24.6335 -44.3022 -29.23 TIMING: 1729000 CPU: 5162.99, 0.00296617/step Wall: 5162.99, 0.00296617/step, 2.6951 hours remaining, 206.917969 MB of memory in use. ENERGY: 1729000 762.4285 2093.7873 1961.6722 120.8206 -206200.7054 17408.1914 0.0000 0.0000 34218.4776 -149635.3278 298.8385 -183853.8054 -149534.8533 298.6407 -271.3434 -236.8632 556846.6386 -18.4144 -18.3263 PRESSURE: 1729200 -337.648 -18.4722 -157.699 -18.4734 -67.102 -210.599 -157.698 -210.6 -307.417 GPRESSURE: 1729200 -281.737 -0.63294 -212.624 -52.0983 -43.1697 -146.096 -129.46 -300.707 -294.027 PRESSAVG: 1729200 -36.8968 -28.5544 91.3295 -28.5544 79.6339 -45.7792 91.3296 -45.779 -9.93477 GPRESSAVG: 1729200 -38.3817 -29.4703 91.5499 -26.7653 82.4971 -47.0217 90.9407 -45.9762 -11.0751 TIMING: 1729200 CPU: 5163.59, 0.00297527/step Wall: 5163.59, 0.00297527/step, 2.7032 hours remaining, 206.917969 MB of memory in use. ENERGY: 1729200 768.6830 2052.6579 1917.4735 110.5908 -205760.6193 17481.9075 0.0000 0.0000 33871.0400 -149558.2665 295.8042 -183429.3066 -149456.7237 297.9119 -237.3889 -206.3114 556949.0316 10.9341 11.0134 PRESSURE: 1729400 131.603 41.7419 57.8269 41.7417 86.8188 -29.4276 57.8273 -29.43 135.052 GPRESSURE: 1729400 185.564 -63.3181 96.0575 181.259 82.1527 17.6045 34.7213 -31.2054 177.956 PRESSAVG: 1729400 -2.97677 44.1846 40.7333 44.1846 48.7371 -59.7745 40.7333 -59.7743 -6.77813 GPRESSAVG: 1729400 -2.00917 44.2924 40.4127 43.6897 47.1551 -58.5564 40.1365 -60.8738 -5.90157 TIMING: 1729400 CPU: 5164.19, 0.00300424/step Wall: 5164.19, 0.00300424/step, 2.72935 hours remaining, 206.917969 MB of memory in use. ENERGY: 1729400 716.5165 2061.0891 1940.7315 130.3696 -206645.1161 17899.7197 0.0000 0.0000 34398.9924 -149497.6972 300.4150 -183896.6896 -149401.5877 297.9361 117.8246 148.5575 557103.7765 12.9941 13.0815 PRESSURE: 1729600 -39.1301 29.9937 -127.288 29.9926 -172.101 -33.6725 -127.287 -33.6716 0.883204 GPRESSURE: 1729600 -23.8122 54.6853 -126.947 34.6932 -153.703 -77.7477 -111.535 12.4266 60.8071 PRESSAVG: 1729600 -64.1343 26.0436 38.263 26.0436 76.166 2.34392 38.263 2.34389 33.8943 GPRESSAVG: 1729600 -64.6386 24.4693 37.8926 24.3558 75.5563 1.81036 39.301 3.24137 34.7486 TIMING: 1729600 CPU: 5164.79, 0.00300174/step Wall: 5164.79, 0.00300174/step, 2.72691 hours remaining, 206.917969 MB of memory in use. ENERGY: 1729600 756.7738 2017.3211 1930.1053 100.9237 -206317.7293 17613.2910 0.0000 0.0000 34398.8767 -149500.4378 300.4139 -183899.3144 -149404.4259 298.3633 -70.1160 -38.9026 557796.5087 15.3087 15.2221 PRESSURE: 1729800 -86.4033 157.755 24.2497 157.755 48.2208 -39.5166 24.249 -39.5146 251.55 GPRESSURE: 1729800 -92.0071 174.899 12.06 171.014 104.534 -11.1792 65.3618 -97.0821 300.415 PRESSAVG: 1729800 -43.0249 -10.0542 -3.05959 -10.0543 16.2273 33.0877 -3.05962 33.0877 23.7918 GPRESSAVG: 1729800 -43.4773 -11.8828 -3.25261 -7.71661 16.4945 35.6261 -1.91104 33.3672 22.8656 TIMING: 1729800 CPU: 5165.39, 0.00299435/step Wall: 5165.39, 0.00299435/step, 2.72004 hours remaining, 206.917969 MB of memory in use. ENERGY: 1729800 754.1797 2067.2015 1939.1056 107.2041 -206496.2477 17930.4113 0.0000 0.0000 34125.2066 -149572.9388 298.0239 -183698.1454 -149477.5475 298.6945 71.1225 104.3138 557472.6743 -1.0020 -1.3724 PRESSURE: 1730000 135.17 53.0539 -0.827842 53.054 -10.905 -102.935 -0.829478 -102.936 16.9781 GPRESSURE: 1730000 184.763 81.9892 15.43 130.615 2.83887 -75.0644 38.028 -79.7353 65.596 PRESSAVG: 1730000 22.7627 14.1368 -25.6589 14.1368 -28.3379 -15.694 -25.6588 -15.694 14.1666 GPRESSAVG: 1730000 24.4989 15.4843 -24.1406 14.23 -28.5824 -15.9246 -25.0335 -17.3373 12.9476 TIMING: 1730000 CPU: 5165.99, 0.00298536/step Wall: 5165.99, 0.00298536/step, 2.7117 hours remaining, 206.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1730000 721.7092 2107.4952 1928.8438 101.3624 -206333.4345 17891.9974 0.0000 0.0000 34145.5275 -149436.4990 298.2014 -183582.0266 -149345.0126 298.1230 47.0810 84.3994 558244.3312 2.8638 2.9547 PRESSURE: 1730200 -73.2529 -65.2514 -49.9788 -65.2513 111.423 -86.2315 -49.9785 -86.2307 -101.643 GPRESSURE: 1730200 4.97667 -98.8213 -81.5882 -109.07 141.382 -73.5568 9.67508 -146.559 -95.9272 PRESSAVG: 1730200 -21.1315 -13.626 -14.9062 -13.6261 52.5637 6.61143 -14.9063 6.61146 -14.6593 GPRESSAVG: 1730200 -21.9008 -11.3234 -16.4332 -16.2574 52.419 4.71099 -15.3478 7.39142 -13.8329 TIMING: 1730200 CPU: 5166.59, 0.00299629/step Wall: 5166.59, 0.00299629/step, 2.72146 hours remaining, 206.917969 MB of memory in use. ENERGY: 1730200 746.7554 2018.9319 1951.9838 107.1927 -206751.1639 17975.7982 0.0000 0.0000 34329.7996 -149620.7022 299.8107 -183950.5018 -149516.5092 298.4952 -21.1577 16.8104 556967.8847 5.5909 5.5618 PRESSURE: 1730400 23.8482 -172.632 -77.8402 -172.633 -106.605 97.8778 -77.8396 97.8771 89.5651 GPRESSURE: 1730400 10.5571 -170.696 -89.118 -180.705 -33.5416 21.3946 -61.8032 111.666 122.031 PRESSAVG: 1730400 -58.6733 -71.1278 -0.694706 -71.1278 31.7799 53.9154 -0.694579 53.9154 41.6795 GPRESSAVG: 1730400 -57.8251 -71.0992 1.24994 -71.1548 31.2569 56.2474 -2.47346 55.4139 41.4435 TIMING: 1730400 CPU: 5167.19, 0.0030012/step Wall: 5167.19, 0.0030012/step, 2.72575 hours remaining, 206.917969 MB of memory in use. ENERGY: 1730400 762.0081 2067.3043 1924.2290 106.3145 -206719.2420 17957.7228 0.0000 0.0000 34235.6032 -149666.0602 298.9880 -183901.6634 -149575.4246 298.5423 2.2694 33.0154 556229.1264 4.9287 4.9584 PRESSURE: 1730600 14.9235 -19.0154 -54.3553 -19.0154 -135.143 90.0743 -54.3557 90.0716 13.3547 GPRESSURE: 1730600 4.13314 -53.3157 -59.4675 22.1151 -97.624 39.2867 -9.75559 80.4903 76.1493 PRESSAVG: 1730600 19.1633 -35.1454 -8.88215 -35.1455 12.0493 34.8691 -8.88218 34.8691 -32.9762 GPRESSAVG: 1730600 19.1521 -36.1724 -9.57654 -33.3938 11.8249 32.6335 -9.01088 35.0804 -32.1324 TIMING: 1730600 CPU: 5167.78, 0.0029634/step Wall: 5167.78, 0.0029634/step, 2.69126 hours remaining, 206.917969 MB of memory in use. ENERGY: 1730600 763.0222 2057.5487 1901.1897 95.9342 -206604.6135 17806.1332 0.0000 0.0000 34250.1818 -149730.6037 299.1154 -183980.7855 -149635.0244 298.1215 -35.6218 -5.7805 556923.0668 -0.5879 -0.3851 PRESSURE: 1730800 -289.943 0.623008 -12.9468 0.623472 -83.2264 -46.4242 -12.9487 -46.4252 -181.241 GPRESSURE: 1730800 -309.33 85.2694 -3.96031 -56.0915 -19.4493 30.7317 47.0067 -136.239 -115.552 PRESSAVG: 1730800 -1.66693 -29.5717 -75.8223 -29.5718 2.43625 17.1537 -75.8223 17.1538 10.5919 GPRESSAVG: 1730800 -1.52125 -31.594 -74.7219 -30.3978 2.74112 16.7719 -76.6238 15.6853 10.5564 TIMING: 1730800 CPU: 5168.37, 0.00297432/step Wall: 5168.37, 0.00297432/step, 2.70101 hours remaining, 206.917969 MB of memory in use. ENERGY: 1730800 733.1634 2080.7045 1924.5808 104.6317 -206338.3537 17685.8543 0.0000 0.0000 34221.0929 -149588.3260 298.8613 -183809.4188 -149494.7883 298.0233 -184.8033 -148.1103 558649.7956 3.7871 3.9254 PRESSURE: 1731000 -402.262 63.9612 -26.9043 63.9591 96.488 -21.8734 -26.9037 -21.873 -220.371 GPRESSURE: 1731000 -295.812 147.665 -18.7003 84.1875 132.881 -40.3443 -28.8564 76.4499 -254.613 PRESSAVG: 1731000 -70.6517 13.2419 -24.3557 13.2419 37.8389 0.498614 -24.3558 0.49882 -14.8979 GPRESSAVG: 1731000 -70.9919 13.4172 -26.8209 14.2256 38.6857 2.35621 -22.9576 0.206083 -15.0613 TIMING: 1731000 CPU: 5168.97, 0.0029748/step Wall: 5168.97, 0.0029748/step, 2.70128 hours remaining, 206.917969 MB of memory in use. ENERGY: 1731000 746.8561 2083.7476 1920.3964 110.5753 -206018.3790 17508.4863 0.0000 0.0000 34122.3639 -149525.9535 297.9991 -183648.3174 -149430.9859 297.7207 -175.3817 -139.1814 558715.1435 -15.9036 -15.7892 PRESSURE: 1731200 241.026 7.52788 -82.2615 7.52741 88.033 -111.854 -82.2605 -111.855 29.5965 GPRESSURE: 1731200 198.095 22.2503 -102.15 -12.4483 164.842 -142.674 -72.2698 -80.1538 87.4845 PRESSAVG: 1731200 -118.054 3.47131 -22.6553 3.47126 95.3469 24.0879 -22.6552 24.0879 7.64661 GPRESSAVG: 1731200 -118.274 5.59093 -25.6225 1.94627 94.5267 22.4787 -23.4414 25.3572 8.39893 TIMING: 1731200 CPU: 5169.57, 0.00299364/step Wall: 5169.57, 0.00299364/step, 2.71823 hours remaining, 206.917969 MB of memory in use. ENERGY: 1731200 764.9408 2036.6800 1941.2568 115.0085 -206500.3146 17867.3831 0.0000 0.0000 34210.2176 -149564.8279 298.7663 -183775.0454 -149472.7559 297.3876 119.5519 150.1406 556622.3211 -5.0202 -5.1160 PRESSURE: 1731400 16.0165 76.3329 -4.86141 76.3331 139.382 5.93796 -4.86096 5.93831 -228.465 GPRESSURE: 1731400 88.1972 126.74 91.8856 -6.66824 125.529 -65.9048 97.3654 40.4158 -194.393 PRESSAVG: 1731400 -51.2167 12.3745 -4.06681 12.3745 49.4973 -9.67199 -4.06678 -9.67215 29.6298 GPRESSAVG: 1731400 -50.6824 12.9838 -0.434258 12.4506 50.4787 -10.8258 -3.33103 -8.64872 28.2723 TIMING: 1731400 CPU: 5170.17, 0.00299632/step Wall: 5170.17, 0.00299632/step, 2.72049 hours remaining, 206.917969 MB of memory in use. ENERGY: 1731400 774.6802 2074.3974 1951.9048 113.8131 -206723.5624 17957.1620 0.0000 0.0000 34285.6850 -149565.9200 299.4254 -183851.6050 -149467.6312 297.9508 -24.3555 6.4445 555624.7945 9.3035 9.3562 PRESSURE: 1731600 -260.624 236.352 -131.583 236.352 -263.02 -1.81664 -131.582 -1.81656 -42.8508 GPRESSURE: 1731600 -151.544 253.025 -156.843 165.663 -233.173 -42.7478 -69.1041 -15.0287 -83.1716 PRESSAVG: 1731600 -9.40693 10.0479 20.7076 10.048 -46.7213 -13.4338 20.7077 -13.4337 42.9801 GPRESSAVG: 1731600 -8.6299 9.95205 21.8845 9.96708 -47.567 -12.4129 20.5347 -15.9027 43.9119 TIMING: 1731600 CPU: 5170.76, 0.00296721/step Wall: 5170.76, 0.00296721/step, 2.6939 hours remaining, 206.917969 MB of memory in use. ENERGY: 1731600 758.7553 2096.3947 1956.9310 121.4684 -206425.3312 17657.1270 0.0000 0.0000 34228.6050 -149606.0499 298.9269 -183834.6549 -149506.1423 298.5166 -188.8315 -155.9629 556810.0920 -4.3827 -4.0950 PRESSURE: 1731800 -260 38.3766 59.542 38.3771 -121.523 19.2935 59.544 19.2941 -381.513 GPRESSURE: 1731800 -230.36 93.0343 3.65183 -1.33576 -44.2326 -24.6302 37.4411 21.0594 -405.627 PRESSAVG: 1731800 -18.3071 -33.6204 38.998 -33.6204 59.6413 -50.1444 38.9981 -50.1444 -71.4476 GPRESSAVG: 1731800 -19.6512 -32.0787 39.5549 -32.7295 59.7028 -49.4441 36.8367 -49.8264 -69.4933 TIMING: 1731800 CPU: 5171.35, 0.00297805/step Wall: 5171.35, 0.00297805/step, 2.70357 hours remaining, 206.917969 MB of memory in use. ENERGY: 1731800 761.8111 2001.1716 1945.6166 113.4915 -205770.3449 17386.4866 0.0000 0.0000 34184.9706 -149376.7969 298.5459 -183561.7674 -149286.2672 298.6089 -254.3451 -226.7396 558222.0764 -10.0378 -9.8139 PRESSURE: 1732000 -167.021 102.935 152.297 102.937 -306.971 112.06 152.295 112.059 -45.1374 GPRESSURE: 1732000 -113.583 49.4457 132.505 102.588 -225.485 123.159 214.772 126.905 -77.3351 PRESSAVG: 1732000 -13.3395 18.4055 24.6007 18.4055 62.8141 14.2551 24.6008 14.2551 -16.2041 GPRESSAVG: 1732000 -13.1152 17.1467 23.2698 16.4729 63.916 15.031 25.0253 14.8245 -17.3786 TIMING: 1732000 CPU: 5171.95, 0.00299541/step Wall: 5171.95, 0.00299541/step, 2.71916 hours remaining, 206.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1732000 793.3542 2093.6757 1942.1866 102.4784 -206285.3228 17709.2631 0.0000 0.0000 34354.8976 -149289.4672 300.0299 -183644.3648 -149196.1400 299.0243 -173.0432 -138.8009 558259.5523 11.0902 11.1408 PRESSURE: 1732200 -125.187 82.232 -244.526 82.2313 134.644 202.734 -244.524 202.733 -11.6582 GPRESSURE: 1732200 -75.7963 66.0111 -244.434 139.682 171.204 159.623 -180.157 192.208 -8.67055 PRESSAVG: 1732200 -4.43034 -18.6688 -5.04423 -18.6687 -11.3504 39.6655 -5.04422 39.6655 42.586 GPRESSAVG: 1732200 -3.11388 -19.4779 -4.98996 -15.575 -11.568 37.7487 -3.29672 39.7058 41.7405 TIMING: 1732200 CPU: 5172.55, 0.00300037/step Wall: 5172.55, 0.00300037/step, 2.7235 hours remaining, 206.917969 MB of memory in use. ENERGY: 1732200 696.4388 1992.2832 1957.0992 111.9928 -206057.2140 17747.8652 0.0000 0.0000 34300.4896 -149251.0451 299.5547 -183551.5347 -149153.5173 299.2463 -0.7339 28.9125 557662.2239 8.9351 9.0195 LDB: ============= START OF LOAD BALANCING ============== 5176.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5176.1 LDB: =============== DONE WITH MIGRATION ================ 5176.1 LDB: ============= START OF LOAD BALANCING ============== 5176.41 LDB: Largest compute 4772 load 0.027557 is 23.3% of average load 0.118145 LDB: Average compute 0.001725 is 1.5% of average load 0.118145 LDB: TIME 5176.41 LOAD: AVG 0.118145 MAX 0.213981 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.996 MB LDB: TIME 5176.41 LOAD: AVG 0.118145 MAX 0.213981 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: TIME 5176.41 LOAD: AVG 0.118145 MAX 0.213981 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: ============== END OF LOAD BALANCING =============== 5176.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5176.42 PRESSURE: 1732400 122.406 2.74397 -98.0232 2.74412 317.583 -91.476 -98.0229 -91.4753 129.129 GPRESSURE: 1732400 140.251 -45.3865 -21.953 71.3232 355.944 -96.2017 -151.181 -92.505 164.289 PRESSAVG: 1732400 -5.4705 19.829 43.0389 19.829 75.7273 39.0337 43.0389 39.0337 -36.7985 GPRESSAVG: 1732400 -6.48219 18.9451 43.1617 17.553 75.7424 41.1561 42.7147 38.1495 -36.2449 TIMING: 1732400 CPU: 5173.17, 0.00306393/step Wall: 5173.17, 0.00306393/step, 2.78103 hours remaining, 207.226562 MB of memory in use. ENERGY: 1732400 750.3823 2050.1083 1915.2809 125.6350 -206542.3386 18043.9800 0.0000 0.0000 34272.8941 -149384.0582 299.3137 -183656.9522 -149292.6795 298.7721 189.7060 220.1611 555776.2784 11.1528 11.0051 PRESSURE: 1732600 90.2622 -101.147 15.113 -101.147 -244.118 62.0013 15.1137 62.0019 -185.77 GPRESSURE: 1732600 150.566 -54.8401 82.6658 -82.0044 -178.66 163.369 20.9403 -21.2508 -203.997 PRESSAVG: 1732600 62.692 40.3209 9.50912 40.3209 -37.4612 14.7351 9.50929 14.7351 -13.2393 GPRESSAVG: 1732600 62.9716 40.3198 10.2748 39.5604 -37.7333 15.3668 9.06021 14.2106 -13.4371 TIMING: 1732600 CPU: 5173.76, 0.00298351/step Wall: 5173.76, 0.00298351/step, 2.70786 hours remaining, 207.226562 MB of memory in use. ENERGY: 1732600 748.3828 2096.1328 1911.5150 104.6550 -206127.2153 17575.6496 0.0000 0.0000 34071.7910 -149619.0893 297.5574 -183690.8802 -149520.9491 298.5702 -113.2086 -77.3637 556406.8462 3.9972 3.9337 PRESSURE: 1732800 44.7163 -21.3857 -139.736 -21.3864 -88.5372 86.9496 -139.736 86.9496 186.086 GPRESSURE: 1732800 -34.5989 -101.766 -106.55 9.38899 40.0557 78.733 -106.063 110.799 228.261 PRESSAVG: 1732800 32.297 6.31501 -9.40839 6.315 -66.8263 40.834 -9.40839 40.834 4.90824 GPRESSAVG: 1732800 32.1295 6.14512 -10.1278 7.78498 -66.2002 40.2829 -10.826 42.7886 4.35352 TIMING: 1732800 CPU: 5174.36, 0.00298432/step Wall: 5174.36, 0.00298432/step, 2.70843 hours remaining, 207.226562 MB of memory in use. ENERGY: 1732800 758.0217 2117.2191 1919.8730 120.3662 -206715.7906 17935.5224 0.0000 0.0000 34281.1707 -149583.6175 299.3860 -183864.7882 -149485.6112 298.6002 47.4219 77.9058 557315.4038 -9.8737 -9.9057 PRESSURE: 1733000 45.1677 67.5293 -141.424 67.529 84.9882 106.931 -141.425 106.931 0.670032 GPRESSURE: 1733000 87.2296 18.8904 -76.7827 151.915 100.533 64.9362 -139.383 140.46 47.0828 PRESSAVG: 1733000 -3.42732 -1.75978 -20.3772 -1.75972 -4.61917 1.2874 -20.3772 1.28746 35.5485 GPRESSAVG: 1733000 -4.61842 -2.41731 -20.1686 -3.1657 -4.19445 -1.23889 -18.6296 1.06473 35.7939 TIMING: 1733000 CPU: 5174.96, 0.00302285/step Wall: 5174.96, 0.00302285/step, 2.74324 hours remaining, 207.226562 MB of memory in use. ENERGY: 1733000 723.6055 2086.2688 1938.3135 117.0968 -206645.7415 17947.4252 0.0000 0.0000 34161.9044 -149671.1273 298.3444 -183833.0317 -149578.8018 297.3480 43.6086 78.2819 557438.5914 9.1674 8.9937 PRESSURE: 1733200 -312.14 -0.251091 -86.1361 -0.251406 337.444 -59.8462 -86.1367 -59.8441 -4.6069 GPRESSURE: 1733200 -253.062 -29.8829 -143.3 9.0446 319.584 -107.654 -73.4146 49.5009 58.4608 PRESSAVG: 1733200 -31.0197 -4.32957 -36.9822 -4.32956 -10.4256 7.41155 -36.9821 7.41142 51.4217 GPRESSAVG: 1733200 -29.7511 -4.74289 -38.1282 -2.32725 -11.7351 8.66328 -38.5249 7.14244 51.8127 TIMING: 1733200 CPU: 5175.56, 0.00297778/step Wall: 5175.56, 0.00297778/step, 2.70217 hours remaining, 207.226562 MB of memory in use. ENERGY: 1733200 773.5055 2074.0694 1938.4005 112.2535 -206445.7532 17985.5438 0.0000 0.0000 34202.2357 -149359.7448 298.6966 -183561.9805 -149269.7143 298.6701 6.8990 41.6609 557288.8988 3.3255 3.4421 PRESSURE: 1733400 -259.702 74.8359 81.8446 74.8359 -119.264 107.547 81.8454 107.548 -23.6275 GPRESSURE: 1733400 -251.799 -58.4903 48.263 134.501 -116.511 126.953 51.5659 174.19 66.5176 PRESSAVG: 1733400 -62.1652 14.6624 -57.4708 14.6624 21.6741 51.9666 -57.4708 51.9667 12.6724 GPRESSAVG: 1733400 -62.7113 16.5539 -55.1281 13.4115 22.2078 51.7316 -60.023 51.5937 12.8297 TIMING: 1733400 CPU: 5176.16, 0.00298379/step Wall: 5176.16, 0.00298379/step, 2.70746 hours remaining, 207.347656 MB of memory in use. ENERGY: 1733400 717.1316 2055.1130 1974.9181 113.4564 -206122.9608 17622.1484 0.0000 0.0000 34257.3531 -149382.8401 299.1780 -183640.1932 -149289.8500 298.9318 -134.1976 -100.5974 557407.3304 -9.2729 -9.2246 PRESSURE: 1733600 -18.8295 197.125 -114.158 197.125 257.746 -22.5213 -114.159 -22.5207 53.0375 GPRESSURE: 1733600 16.6714 216.177 -33.5904 105.319 273.336 -57.918 -230.966 68.3769 95.4342 PRESSAVG: 1733600 -47.7986 37.6509 50.5872 37.6509 43.0553 60.9083 50.5872 60.9082 54.0349 GPRESSAVG: 1733600 -46.8397 35.7678 48.5977 38.4188 44.0623 59.7935 55.4249 60.9981 52.1131 TIMING: 1733600 CPU: 5176.76, 0.00300289/step Wall: 5176.76, 0.00300289/step, 2.72462 hours remaining, 207.347656 MB of memory in use. ENERGY: 1733600 746.2799 2055.8543 1952.4672 107.8371 -206426.3141 17969.5538 0.0000 0.0000 34071.7482 -149522.5736 297.5571 -183594.3218 -149434.8243 298.2632 97.3180 128.4805 556419.8793 16.4305 16.4452 PRESSURE: 1733800 -85.0582 -17.7885 77.5485 -17.788 157.794 44.6924 77.5475 44.6934 51.6214 GPRESSURE: 1733800 -41.512 2.9848 77.143 67.2463 180.654 70.8717 111.755 30.3647 83.3325 PRESSAVG: 1733800 -25.9686 26.8766 -0.67165 26.8766 40.3228 25.1688 -0.671631 25.1688 -26.0074 GPRESSAVG: 1733800 -26.2475 27.697 0.831641 26.3272 38.601 27.1467 -1.89195 23.9741 -23.929 TIMING: 1733800 CPU: 5177.36, 0.00300486/step Wall: 5177.36, 0.00300486/step, 2.72624 hours remaining, 207.347656 MB of memory in use. ENERGY: 1733800 731.1881 2058.1787 1972.0954 115.2173 -206578.0842 17954.7344 0.0000 0.0000 34219.7466 -149526.9239 298.8496 -183746.6705 -149437.0978 298.7874 41.4524 74.1583 556683.9409 -3.8844 -3.8585 PRESSURE: 1734000 -105.282 118.701 -54.4937 118.701 -187.785 14.0575 -54.4937 14.0582 -218.243 GPRESSURE: 1734000 -61.95 200.676 -78.5435 118.941 -216.582 87.0366 12.6996 -7.94568 -137.955 PRESSAVG: 1734000 43.4064 2.38207 58.2918 2.3822 4.23368 58.2846 58.2917 58.2846 -24.586 GPRESSAVG: 1734000 43.7318 3.12741 59.2945 1.24708 4.37171 58.702 58.3457 58.4558 -25.2402 TIMING: 1734000 CPU: 5177.96, 0.00299936/step Wall: 5177.96, 0.00299937/step, 2.72109 hours remaining, 207.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1734000 771.5586 2094.8101 1956.4250 117.0608 -205936.9372 17685.5697 0.0000 0.0000 34102.4160 -149209.0970 297.8249 -183311.5130 -149119.3292 299.0692 -170.4365 -138.8292 558802.1650 7.6847 7.6211 PRESSURE: 1734200 -282.418 66.4579 -132.492 66.4572 216.91 135.476 -132.492 135.476 -163.105 GPRESSURE: 1734200 -141.913 63.7662 -151.845 40.1627 144.412 94.0279 -145.346 200.686 -128.374 PRESSAVG: 1734200 -8.15037 -18.9746 -22.3923 -18.9747 22.6639 5.70103 -22.3923 5.70102 -18.788 GPRESSAVG: 1734200 -8.46362 -16.8847 -24.3719 -19.2779 23.3149 7.0421 -22.3295 4.67561 -19.7587 TIMING: 1734200 CPU: 5178.56, 0.00299216/step Wall: 5178.56, 0.00299216/step, 2.71439 hours remaining, 207.347656 MB of memory in use. ENERGY: 1734200 741.8731 2136.3860 1929.2642 119.1448 -206039.7653 17537.9596 0.0000 0.0000 34340.3118 -149234.8257 299.9025 -183575.1375 -149140.5112 299.2466 -76.2045 -41.9584 556896.0397 -1.4248 -1.6358 PRESSURE: 1734400 102.805 43.0022 -66.3489 43.0018 -185.018 0.226838 -66.3484 0.228228 -264.456 GPRESSURE: 1734400 177.741 -29.2258 -53.3827 -17.5844 -153.677 39.5853 -130.069 43.6554 -271.208 PRESSAVG: 1734400 30.877 16.6655 -31.1051 16.6655 -33.8551 5.82017 -31.1052 5.82018 36.8083 GPRESSAVG: 1734400 30.6293 14.6721 -31.7982 15.9414 -34.1028 2.87306 -29.2468 7.72291 37.2041 TIMING: 1734400 CPU: 5179.15, 0.00298618/step Wall: 5179.15, 0.00298618/step, 2.70879 hours remaining, 207.347656 MB of memory in use. ENERGY: 1734400 713.6977 2135.2889 1929.7910 108.5503 -206093.4164 17668.7973 0.0000 0.0000 34206.0366 -149331.2545 298.7298 -183537.2910 -149232.2311 299.3483 -115.5565 -82.3814 557960.2059 11.2767 11.2435 PRESSURE: 1734600 273.672 -244.098 -74.8772 -244.097 147.177 129.664 -74.8772 129.664 -109.743 GPRESSURE: 1734600 295.115 -83.2553 -48.0998 -280.708 190.696 141.265 -27.2203 167.073 -84.6623 PRESSAVG: 1734600 53.9623 19.6556 27.6834 19.6554 14.3049 -10.4133 27.6834 -10.4135 -36.0235 GPRESSAVG: 1734600 53.4512 20.6281 28.9776 19.6148 14.4526 -9.61992 26.3604 -10.1448 -35.5397 TIMING: 1734600 CPU: 5179.75, 0.00296317/step Wall: 5179.75, 0.00296317/step, 2.68776 hours remaining, 207.347656 MB of memory in use. ENERGY: 1734600 702.0323 2116.3627 1947.4378 106.8890 -206482.2752 17928.5173 0.0000 0.0000 34332.2739 -149348.7621 299.8323 -183681.0360 -149247.6038 298.7880 103.7019 133.7161 557980.2134 10.7479 10.7881 PRESSURE: 1734800 -150.323 -80.5409 -120.621 -80.5407 -28.2736 -68.7626 -120.622 -68.7634 51.8446 GPRESSURE: 1734800 -52.7581 -166.856 -148.307 -58.8817 -18.2767 -125.408 -173.687 42.6677 42.1205 PRESSAVG: 1734800 27.3635 9.75754 16.2466 9.75754 -23.7904 102.722 16.2465 102.722 66.582 GPRESSAVG: 1734800 28.0909 8.18415 16.1692 10.2917 -23.6043 101.08 14.5918 102.838 66.0008 TIMING: 1734800 CPU: 5180.34, 0.00295256/step Wall: 5180.34, 0.00295256/step, 2.67797 hours remaining, 207.347656 MB of memory in use. ENERGY: 1734800 758.4241 2069.2129 1962.3470 111.0498 -206406.7986 17891.4176 0.0000 0.0000 34191.4814 -149422.8658 298.6027 -183614.3472 -149324.5648 298.7065 -42.2508 -9.6381 558221.7168 23.3850 23.4958 PRESSURE: 1735000 -145.844 -11.5328 15.2103 -11.5341 245.042 -51.7971 15.2106 -51.7971 -39.4317 GPRESSURE: 1735000 -184.092 -53.0864 147.872 -38.3889 329.101 -95.0326 -13.6762 -42.7187 16.8118 PRESSAVG: 1735000 22.2925 -21.227 -52.0773 -21.227 43.433 45.9648 -52.0774 45.9647 -50.0191 GPRESSAVG: 1735000 22.36 -21.0134 -52.9904 -21.23 43.6437 48.3835 -51.9201 45.2 -50.0122 TIMING: 1735000 CPU: 5180.94, 0.00299011/step Wall: 5180.94, 0.00299011/step, 2.71187 hours remaining, 207.347656 MB of memory in use. ENERGY: 1735000 770.0427 2083.3688 1924.0444 119.7730 -206254.6826 17854.2297 0.0000 0.0000 34145.0044 -149358.2195 298.1968 -183503.2239 -149256.5183 299.0697 19.9220 53.9404 558987.5113 5.2355 5.3305 PRESSURE: 1735200 1.69641 107.681 -114.567 107.683 -114.457 -170.051 -114.567 -170.051 -80.2191 GPRESSURE: 1735200 81.7633 116.273 -156.782 126.27 -98.8308 -77.7592 -117.341 -180.137 -83.4743 PRESSAVG: 1735200 -5.5061 -41.0009 -4.33117 -41.0009 75.4287 42.3587 -4.33115 42.3586 -91.7206 GPRESSAVG: 1735200 -4.75094 -42.276 -5.20448 -38.8088 75.7578 42.2545 -3.24489 42.1422 -92.4057 TIMING: 1735200 CPU: 5181.53, 0.00297001/step Wall: 5181.53, 0.00297001/step, 2.69347 hours remaining, 207.347656 MB of memory in use. ENERGY: 1735200 733.8806 2123.3294 1945.7041 125.2763 -206428.9303 17835.3276 0.0000 0.0000 34267.1185 -149398.2939 299.2633 -183665.4124 -149296.9705 299.5766 -64.3264 -33.5139 559103.8842 -7.2660 -7.1329 PRESSURE: 1735400 -293.396 -105.57 -103.951 -105.571 -187.802 85.1749 -103.951 85.1744 -507.725 GPRESSURE: 1735400 -206.292 -133.376 -95.151 -162.677 -160.737 102.312 -168.344 119.442 -516.617 PRESSAVG: 1735400 64.9392 -10.6358 -44.645 -10.6359 10.6761 9.16734 -44.6451 9.16733 -71.1858 GPRESSAVG: 1735400 65.229 -10.2339 -42.8002 -10.5937 10.5941 6.76437 -46.5749 9.30819 -71.343 TIMING: 1735400 CPU: 5182.14, 0.00303431/step Wall: 5182.14, 0.00303431/step, 2.75161 hours remaining, 207.347656 MB of memory in use. ENERGY: 1735400 765.7197 2143.0240 1925.2424 123.7628 -206214.2049 17499.9111 0.0000 0.0000 34312.3736 -149444.1712 299.6585 -183756.5448 -149350.0768 298.7473 -329.6408 -294.5486 558206.0851 1.4765 1.4934 PRESSURE: 1735600 111.265 13.9402 -34.3403 13.9409 44.1464 -16.0959 -34.342 -16.0946 -30.0687 GPRESSURE: 1735600 168.841 -27.9978 -61.4415 26.9297 19.4671 -4.5775 24.3426 36.7671 38.2129 PRESSAVG: 1735600 43.5624 -38.112 -4.05461 -38.112 -6.44062 13.1809 -4.05451 13.1809 -14.4028 GPRESSAVG: 1735600 42.8901 -37.9331 -4.21077 -37.7782 -8.05245 14.2685 -3.69479 11.3407 -12.8094 TIMING: 1735600 CPU: 5182.73, 0.00297995/step Wall: 5182.73, 0.00297995/step, 2.70215 hours remaining, 207.347656 MB of memory in use. ENERGY: 1735600 695.7026 2141.6500 1941.5606 110.9983 -206583.2447 17932.6192 0.0000 0.0000 34194.0079 -149566.7062 298.6248 -183760.7141 -149472.0363 298.3791 41.7809 75.5069 557502.9621 7.5730 7.3427 PRESSURE: 1735800 -143.666 68.3027 -50.1013 68.3028 -274.779 82.1546 -50.1005 82.1539 68.8682 GPRESSURE: 1735800 -140.83 120.221 -161.893 128.061 -234.031 87.9458 -102.074 61.8005 120.813 PRESSAVG: 1735800 -14.2705 -39.2237 -0.271173 -39.2237 47.2052 4.06191 -0.271115 4.06187 42.0444 GPRESSAVG: 1735800 -14.1638 -38.3688 -1.12703 -38.9854 47.4731 4.87756 0.987622 4.55576 41.9215 TIMING: 1735800 CPU: 5183.33, 0.00298314/step Wall: 5183.33, 0.00298314/step, 2.70488 hours remaining, 207.347656 MB of memory in use. ENERGY: 1735800 758.4469 2094.5034 1954.0193 116.7386 -206163.4736 17649.8797 0.0000 0.0000 34080.0449 -149509.8409 297.6295 -183589.8858 -149413.8063 298.2808 -116.5255 -84.6828 557421.2499 24.9931 25.0770 PRESSURE: 1736000 13.9281 -108.335 -253.587 -108.336 230.069 -135.399 -253.587 -135.399 59.6069 GPRESSURE: 1736000 72.1205 -66.294 -239.682 -145.168 269.219 -90.8423 -214.768 -143.372 51.4452 PRESSAVG: 1736000 -8.85524 -38.4789 -41.4784 -38.4791 0.616652 -54.2616 -41.4784 -54.2616 40.5102 GPRESSAVG: 1736000 -8.96632 -38.034 -40.9533 -40.0829 1.95379 -53.8232 -42.3707 -53.4518 39.2721 TIMING: 1736000 CPU: 5183.93, 0.00301061/step Wall: 5183.93, 0.00301061/step, 2.72962 hours remaining, 207.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1736000 756.4211 2012.4127 1951.1748 107.9120 -206607.3980 17977.7560 0.0000 0.0000 34291.7852 -149509.9363 299.4787 -183801.7214 -149409.6660 298.6438 101.2014 130.9281 557251.2582 10.7572 10.7532 PRESSURE: 1736200 -119.889 -33.5223 12.6115 -33.5213 -272.277 -267.165 12.6114 -267.164 -193.063 GPRESSURE: 1736200 -60.5914 72.445 -38.4081 -115.099 -241.452 -219.393 83.2109 -305.715 -198.951 PRESSAVG: 1736200 -21.3735 -50.0565 -38.2192 -50.0565 -16.908 -95.1838 -38.2191 -95.1839 7.15122 GPRESSAVG: 1736200 -21.2543 -49.6167 -37.1196 -50.9113 -15.5331 -95.1829 -39.2531 -96.3647 5.45487 TIMING: 1736200 CPU: 5184.53, 0.00299004/step Wall: 5184.53, 0.00299004/step, 2.7108 hours remaining, 207.347656 MB of memory in use. ENERGY: 1736200 716.0036 2049.8038 1951.5836 113.6903 -206070.5165 17453.9335 0.0000 0.0000 34236.2881 -149549.2136 298.9940 -183785.5016 -149453.0261 298.0714 -195.0762 -166.9984 557376.9747 -10.3768 -10.4442 LDB: ============= START OF LOAD BALANCING ============== 5188.08 LDB: ============== END OF LOAD BALANCING =============== 5188.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5188.08 LDB: ============= START OF LOAD BALANCING ============== 5188.39 LDB: Largest compute 4772 load 0.027394 is 23.2% of average load 0.118122 LDB: Average compute 0.001726 is 1.5% of average load 0.118122 LDB: TIME 5188.39 LOAD: AVG 0.118122 MAX 0.213212 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 5188.39 LOAD: AVG 0.118122 MAX 0.213212 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.684 MB LDB: TIME 5188.39 LOAD: AVG 0.118122 MAX 0.213212 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5188.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5188.39 PRESSURE: 1736400 -187.915 -20.3318 -125.527 -20.3316 -39.6026 116.838 -125.527 116.838 -102.297 GPRESSURE: 1736400 -95.4557 -115.514 -121.017 -12.9005 -102.222 131.534 -126.745 95.6228 -40.2732 PRESSAVG: 1736400 49.3249 -5.99448 -48.121 -5.99455 25.6924 -37.7993 -48.1209 -37.7993 -33.5952 GPRESSAVG: 1736400 49.217 -6.98289 -48.2593 -5.59475 23.8531 -36.3664 -46.208 -37.8162 -31.7779 TIMING: 1736400 CPU: 5185.14, 0.00307723/step Wall: 5185.14, 0.00307723/step, 2.78968 hours remaining, 206.203125 MB of memory in use. ENERGY: 1736400 771.6984 2128.5713 1932.9708 110.6739 -206588.0884 17753.6937 0.0000 0.0000 34177.6434 -149712.8369 298.4819 -183890.4803 -149621.3087 298.8263 -109.9383 -79.3170 556864.1342 13.8074 13.7641 PRESSURE: 1736600 -62.3529 -25.7339 -159.815 -25.7329 -190.283 -9.71447 -159.816 -9.71513 -116.486 GPRESSURE: 1736600 -22.2445 53.0026 -146.777 16.2524 -168.998 111.872 -98.7756 -109.184 -80.307 PRESSAVG: 1736600 -12.5917 -18.3497 -42.3884 -18.3498 48.2121 -10.0594 -42.3884 -10.0594 -58.6826 GPRESSAVG: 1736600 -12.2326 -18.4214 -42.286 -18.2074 47.6907 -12.3669 -43.1294 -8.82457 -58.6838 TIMING: 1736600 CPU: 5185.75, 0.00300733/step Wall: 5185.75, 0.00300733/step, 2.72614 hours remaining, 206.203125 MB of memory in use. ENERGY: 1736600 742.1511 2077.8047 1952.5672 100.7077 -206324.5007 17859.4271 0.0000 0.0000 33993.8536 -149597.9894 296.8768 -183591.8430 -149505.6505 298.3832 -123.0407 -90.5164 558178.3354 -7.6874 -7.7419 PRESSURE: 1736800 218.588 164.833 -86.7216 164.831 -119.104 -280.963 -86.7209 -280.963 -62.3627 GPRESSURE: 1736800 213.255 146.905 -111.121 139.336 -63.9062 -276.589 -42.3997 -224.307 -13.542 PRESSAVG: 1736800 -39.5372 -9.2954 31.3179 -9.29545 79.0984 -34.7613 31.3178 -34.7613 23.132 GPRESSAVG: 1736800 -40.5489 -8.7737 31.5322 -9.66253 80.5969 -36.2874 33.9468 -36.0292 22.727 TIMING: 1736800 CPU: 5186.35, 0.00300994/step Wall: 5186.35, 0.00300994/step, 2.72834 hours remaining, 206.203125 MB of memory in use. ENERGY: 1736800 717.0844 2107.7661 1946.3041 109.7774 -206741.5173 18020.8304 0.0000 0.0000 34169.9453 -149669.8097 298.4146 -183839.7549 -149571.2676 298.1073 12.3738 45.2688 557041.5978 20.8977 20.9250 PRESSURE: 1737000 -324.337 39.8694 -94.093 39.8705 -275.085 -11.7881 -94.094 -11.7869 -49.4313 GPRESSURE: 1737000 -289.694 16.6415 -121.819 40.3171 -216.717 -56.3043 -128.529 55.1386 -58.6712 PRESSAVG: 1737000 -3.61932 50.0653 -19.1755 50.0653 -1.29146 -59.3186 -19.1755 -59.3185 16.9087 GPRESSAVG: 1737000 -3.70272 48.954 -18.8521 51.9428 -1.75532 -58.1341 -19.9292 -59.6936 17.1518 TIMING: 1737000 CPU: 5186.95, 0.00300412/step Wall: 5186.95, 0.00300412/step, 2.7229 hours remaining, 206.203125 MB of memory in use. ENERGY: 1737000 794.7995 2075.5799 1940.7785 101.7243 -206355.5707 17740.7378 0.0000 0.0000 33782.2660 -149919.6848 295.0289 -183701.9508 -149825.4314 298.2463 -216.2845 -188.3606 557677.4758 3.9993 3.8979 PRESSURE: 1737200 153.482 -32.5043 25.1007 -32.5048 227.768 -193.845 25.1009 -193.846 223.495 GPRESSURE: 1737200 209.3 -65.2478 53.628 18.1108 174.103 -271.627 16.6005 -79.9227 330.603 PRESSAVG: 1737200 -10.3633 -15.7736 -3.36042 -15.7736 -29.1435 -94.6622 -3.36038 -94.6623 91.2013 GPRESSAVG: 1737200 -9.81592 -16.6026 -3.17226 -14.975 -30.0929 -94.7164 -5.77465 -95.3588 91.366 TIMING: 1737200 CPU: 5187.56, 0.00304918/step Wall: 5187.56, 0.00304918/step, 2.76358 hours remaining, 206.203125 MB of memory in use. ENERGY: 1737200 764.9666 2063.6772 1933.7409 106.7725 -207147.1311 18387.1298 0.0000 0.0000 34096.7263 -149794.1176 297.7752 -183890.8439 -149711.2069 297.6134 201.5815 238.0023 556855.3482 17.2315 17.1524 PRESSURE: 1737400 -401.522 50.7545 52.1595 50.7544 -233.201 21.7946 52.1599 21.794 2.83021 GPRESSURE: 1737400 -341.417 159.189 -71.5426 4.32555 -236.501 -61.5265 71.3615 27.6411 51.5871 PRESSAVG: 1737400 -56.5949 -8.15107 -39.1629 -8.15103 -21.1743 -4.71328 -39.1629 -4.71312 31.0722 GPRESSAVG: 1737400 -55.2316 -7.10951 -40.7241 -10.4751 -21.0161 -5.47694 -37.6333 -4.42954 29.6421 TIMING: 1737400 CPU: 5188.17, 0.00304162/step Wall: 5188.17, 0.00304162/step, 2.75655 hours remaining, 206.203125 MB of memory in use. ENERGY: 1737400 754.7162 2056.8663 1929.8787 114.1158 -206376.8041 17575.2762 0.0000 0.0000 34184.5078 -149761.4430 298.5418 -183945.9508 -149669.6578 297.4458 -210.6309 -175.4436 557051.3787 -15.5657 -15.5352 PRESSURE: 1737600 117.82 79.5267 144.559 79.527 180.329 -115.129 144.56 -115.132 -133.306 GPRESSURE: 1737600 131.38 48.0992 178.245 69.8753 257.843 -26.0813 131.877 -160.926 -144.286 PRESSAVG: 1737600 15.7107 25.2802 68.6384 25.2802 9.33187 -51.4453 68.6384 -51.4453 47.3047 GPRESSAVG: 1737600 13.7841 25.2283 68.737 25.9767 10.44 -50.0999 68.9061 -52.9351 47.7656 TIMING: 1737600 CPU: 5188.77, 0.00301747/step Wall: 5188.77, 0.00301747/step, 2.73449 hours remaining, 206.203125 MB of memory in use. ENERGY: 1737600 731.9755 2118.4870 1943.3004 114.5728 -206618.0674 17894.7612 0.0000 0.0000 34099.3083 -149715.6622 297.7977 -183814.9705 -149614.8029 297.8757 54.9477 81.6459 557017.9600 24.1158 23.9965 PRESSURE: 1737800 187.799 -32.304 -15.1257 -32.3032 105.72 37.9214 -15.1269 37.9224 -12.1906 GPRESSURE: 1737800 192.134 -46.8825 22.9061 -20.011 137.215 50.0519 -5.90081 48.2233 51.9645 PRESSAVG: 1737800 22.8615 -47.511 20.8981 -47.5111 -15.7352 49.113 20.8981 49.113 -16.3407 GPRESSAVG: 1737800 24.759 -46.6303 20.4367 -47.9557 -16.5465 49.7836 22.5032 49.6474 -17.5746 TIMING: 1737800 CPU: 5189.37, 0.00300466/step Wall: 5189.37, 0.00300466/step, 2.72272 hours remaining, 206.203125 MB of memory in use. ENERGY: 1737800 716.3427 2076.1494 1924.3196 117.5335 -206682.7982 17932.3127 0.0000 0.0000 34329.3587 -149586.7816 299.8068 -183916.1403 -149480.6143 298.1860 93.7759 127.1045 556352.8255 -3.0715 -3.1207 PRESSURE: 1738000 141.948 194.721 95.388 194.721 78.6635 71.7252 95.3864 71.7262 35.3929 GPRESSURE: 1738000 203.108 289.68 137.137 171.985 75.042 88.6579 77.7192 49.5787 72.2211 PRESSAVG: 1738000 -1.04679 -16.8547 28.5225 -16.8547 -13.433 57.0617 28.5225 57.0618 20.4226 GPRESSAVG: 1738000 -1.3973 -16.0021 29.3101 -16.6116 -13.9491 55.4799 26.7575 57.1871 22.0132 TIMING: 1738000 CPU: 5189.97, 0.00298003/step Wall: 5189.97, 0.00298003/step, 2.70024 hours remaining, 206.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1738000 744.7340 2102.7739 1956.4396 122.8432 -206574.5578 17887.2946 0.0000 0.0000 34225.0159 -149535.4565 298.8956 -183760.4724 -149442.8905 298.1406 85.3347 116.7905 555469.2945 1.9809 2.2223 PRESSURE: 1738200 -188.25 -46.1416 40.1635 -46.1408 141.965 -77.1964 40.1642 -77.1961 -230.713 GPRESSURE: 1738200 -150.467 -175.569 78.6715 108.744 193.787 -125.966 38.9614 -59.4564 -226.815 PRESSAVG: 1738200 -13.3593 7.13504 14.0527 7.13505 4.92897 9.90041 14.0528 9.90036 -4.06173 GPRESSAVG: 1738200 -13.2876 6.54436 13.1837 7.18803 4.99503 10.3705 13.973 9.52198 -4.49626 TIMING: 1738200 CPU: 5190.57, 0.00299286/step Wall: 5190.57, 0.00299286/step, 2.7117 hours remaining, 206.203125 MB of memory in use. ENERGY: 1738200 783.7465 2110.0113 1963.9479 110.5172 -206035.8873 17698.3180 0.0000 0.0000 33899.9397 -149469.4067 296.0566 -183369.3465 -149372.0242 298.1338 -92.3327 -61.1648 558010.7125 -4.1640 -4.2629 PRESSURE: 1738400 -44.5191 -60.6587 -58.4739 -60.6576 -397.868 -51.1111 -58.4738 -51.1116 -241.512 GPRESSURE: 1738400 5.9559 -67.1364 -38.0292 -8.41014 -341.722 24.1458 -31.0581 39.7071 -250.811 PRESSAVG: 1738400 17.7566 17.1447 -19.4674 17.1447 -4.44364 -3.62157 -19.4674 -3.62161 -23.9026 GPRESSAVG: 1738400 16.3592 16.8599 -19.8268 17.8653 -3.43801 -4.63384 -17.0949 -2.17846 -23.0437 TIMING: 1738400 CPU: 5191.16, 0.00298797/step Wall: 5191.16, 0.00298797/step, 2.7071 hours remaining, 206.203125 MB of memory in use. ENERGY: 1738400 762.5904 2097.2180 1958.0144 123.8232 -206368.7844 17619.3331 0.0000 0.0000 34228.6393 -149579.1660 298.9272 -183807.8053 -149486.4609 298.5758 -227.9661 -195.5258 557540.6016 -3.5299 -3.3742 PRESSURE: 1738600 335.969 71.1919 -36.7378 71.1924 -131.139 101.344 -36.7398 101.344 238.138 GPRESSURE: 1738600 369.19 142.842 -141.787 9.36474 -48.6113 145.322 -107.88 67.6581 233.242 PRESSAVG: 1738600 10.7051 -29.5133 -35.9377 -29.5132 9.37674 -2.17927 -35.9377 -2.17937 69.8461 GPRESSAVG: 1738600 11.876 -30.8984 -34.0022 -30.7282 7.73078 -1.05326 -41.1458 -2.45983 70.5545 TIMING: 1738600 CPU: 5191.76, 0.00298392/step Wall: 5191.76, 0.00298392/step, 2.70327 hours remaining, 206.203125 MB of memory in use. ENERGY: 1738600 716.4847 2057.9415 1984.4489 105.2708 -206539.3048 17980.4181 0.0000 0.0000 34168.8452 -149525.8957 298.4050 -183694.7409 -149420.0731 298.5105 147.6557 184.6066 555762.4681 29.9760 30.0538 PRESSURE: 1738800 48.8423 -158.648 111.313 -158.648 153.408 1.8247 111.314 1.82618 209.354 GPRESSURE: 1738800 89.0538 -181.858 136.112 -191.522 152.919 103.393 132.963 -76.7819 262.375 PRESSAVG: 1738800 -51.136 -20.5806 33.4419 -20.5806 -14.0229 15.8365 33.4419 15.8367 49.7183 GPRESSAVG: 1738800 -51.2926 -17.9452 31.7159 -23.3645 -13.7258 17.0928 36.2449 14.5839 49.807 TIMING: 1738800 CPU: 5192.36, 0.00299615/step Wall: 5192.36, 0.00299615/step, 2.71418 hours remaining, 206.203125 MB of memory in use. ENERGY: 1738800 752.4974 2090.2779 1942.1363 119.5313 -206571.7708 18023.7280 0.0000 0.0000 34143.1935 -149500.4064 298.1810 -183643.6000 -149402.7409 298.2668 137.2013 168.1161 557436.4077 -5.1468 -5.0705 PRESSURE: 1739000 -231.636 -145.944 20.8408 -145.943 -252.655 88.5363 20.8417 88.536 42.5679 GPRESSURE: 1739000 -173.473 -166.547 56.1344 -162.551 -209.467 38.5965 -19.0729 136.853 45.6215 PRESSAVG: 1739000 -22.0859 13.4081 -13.027 13.4081 16.1499 -17.9093 -13.0269 -17.9094 6.83683 GPRESSAVG: 1739000 -22.2043 12.9665 -12.829 14.2333 15.5356 -20.3892 -13.2467 -17.9726 7.17671 TIMING: 1739000 CPU: 5192.96, 0.00298721/step Wall: 5192.96, 0.00298721/step, 2.70592 hours remaining, 206.203125 MB of memory in use. ENERGY: 1739000 719.5858 2075.0785 1952.8218 126.5657 -206118.8383 17649.8944 0.0000 0.0000 34164.7851 -149430.1069 298.3696 -183594.8920 -149331.7338 298.5723 -147.2411 -112.4393 556767.5388 0.3003 0.1693 PRESSURE: 1739200 369.6 -69.8258 44.2145 -69.8258 370.888 -101.222 44.2151 -101.222 170.609 GPRESSURE: 1739200 409.636 -159.393 104.448 -3.71228 408.737 -137.457 -42.9374 -75.3215 186.43 PRESSAVG: 1739200 -84.8566 -22.7023 -6.99222 -22.7023 70.6175 20.5549 -6.99219 20.5549 30.0186 GPRESSAVG: 1739200 -83.9233 -23.2116 -7.19987 -19.8567 70.4028 23.4878 -7.00852 19.7023 30.4816 TIMING: 1739200 CPU: 5193.55, 0.00297792/step Wall: 5193.55, 0.00297792/step, 2.69733 hours remaining, 206.203125 MB of memory in use. ENERGY: 1739200 740.5702 2094.3855 1948.0207 109.7273 -206698.0571 18423.4119 0.0000 0.0000 34238.4150 -149143.5265 299.0126 -183381.9415 -149041.1630 298.9659 303.6988 334.9344 556538.8420 5.2598 5.6537 PRESSURE: 1739400 85.6177 128.266 138.38 128.267 -66.1692 67.9505 138.379 67.9511 -37.6168 GPRESSURE: 1739400 129.909 140.308 25.9109 132.989 -22.889 192.278 173.91 -13.994 -14.542 PRESSAVG: 1739400 -18.8826 -6.18618 16.7079 -6.18622 33.9973 63.6715 16.708 63.6717 7.52139 GPRESSAVG: 1739400 -18.6567 -5.08063 17.4892 -6.90669 35.3071 59.9554 16.3788 67.4183 5.55862 TIMING: 1739400 CPU: 5194.15, 0.00299513/step Wall: 5194.15, 0.00299513/step, 2.71276 hours remaining, 206.203125 MB of memory in use. ENERGY: 1739400 762.7168 2129.8101 1942.3124 108.1061 -206217.2472 17833.8666 0.0000 0.0000 34394.5074 -149045.9277 300.3758 -183440.4352 -148954.1056 299.6093 -6.0561 30.8261 558781.1652 7.5453 7.4030 PRESSURE: 1739600 59.3429 73.1221 -4.87167 73.1215 -94.8867 132.988 -4.87165 132.989 47.6583 GPRESSURE: 1739600 64.7369 -49.1649 -41.2958 102.21 -36.7727 72.1404 65.3 77.1936 84.2348 PRESSAVG: 1739600 34.8069 57.1897 20.678 57.1898 20.8521 -13.2142 20.678 -13.214 -60.9521 GPRESSAVG: 1739600 34.2947 55.1831 18.7643 58.5496 20.9728 -12.115 20.6769 -17.3077 -60.8973 TIMING: 1739600 CPU: 5194.75, 0.00297136/step Wall: 5194.75, 0.00297136/step, 2.69106 hours remaining, 206.203125 MB of memory in use. ENERGY: 1739600 766.5399 2076.1858 1925.4764 106.3644 -206065.2691 17798.7049 0.0000 0.0000 34297.2891 -149094.7086 299.5268 -183391.9977 -149009.0602 300.2549 4.0382 37.3997 558775.2721 -1.7644 -1.8766 PRESSURE: 1739800 40.4519 10.0264 -87.4451 10.0264 47.3464 19.5528 -87.4475 19.5529 130.469 GPRESSURE: 1739800 62.035 37.4939 -64.1944 -76.3279 74.5244 65.795 -110.57 14.9497 176.377 PRESSAVG: 1739800 -11.6778 -7.61815 10.3207 -7.61815 23.149 36.9258 10.3207 36.9259 19.0884 GPRESSAVG: 1739800 -11.6407 -7.1786 13.4245 -9.31113 22.4517 37.0905 9.76825 39.0824 19.7176 TIMING: 1739800 CPU: 5195.34, 0.00297034/step Wall: 5195.34, 0.00297034/step, 2.68997 hours remaining, 206.203125 MB of memory in use. ENERGY: 1739800 739.1394 2039.0557 1923.7815 110.2563 -205939.2205 17854.9461 0.0000 0.0000 34215.6373 -149056.4042 298.8137 -183272.0415 -148949.5135 299.9273 72.7558 104.3122 557401.7422 10.1865 10.1762 PRESSURE: 1740000 279.969 -1.0326 -68.828 -1.03316 -208.357 9.24514 -68.8295 9.24597 -116.026 GPRESSURE: 1740000 360.401 44.5685 18.4752 26.6886 -176.971 94.8482 -173.944 -38.9636 -128.727 PRESSAVG: 1740000 9.55835 19.5626 17.8585 19.5625 -32.5593 -34.2023 17.8585 -34.2024 31.196 GPRESSAVG: 1740000 9.91529 21.0237 19.0079 19.0189 -32.5738 -33.5861 17.2796 -34.7928 30.7549 TIMING: 1740000 CPU: 5195.94, 0.00300726/step Wall: 5195.94, 0.00300726/step, 2.72324 hours remaining, 206.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1740000 734.0732 2009.3212 1938.9433 110.6662 -205972.8378 17721.6431 0.0000 0.0000 34319.9739 -149138.2168 299.7249 -183458.1907 -149033.2720 299.8443 -14.8046 18.2343 557945.2026 2.7317 2.6988 PRESSURE: 1740200 -188.672 9.24808 60.6906 9.24978 -12.303 -47.2195 60.6911 -47.2201 -38.7919 GPRESSURE: 1740200 -153.117 -45.963 54.9332 -64.6634 -11.2118 10.9547 62.3842 -116.865 22.2771 PRESSAVG: 1740200 -29.2899 20.3578 -23.6319 20.3577 42.858 44.7508 -23.632 44.7508 50.0173 GPRESSAVG: 1740200 -29.844 21.6591 -24.592 18.5507 42.1445 43.7971 -23.3575 45.5826 50.6396 TIMING: 1740200 CPU: 5196.54, 0.00299206/step Wall: 5196.54, 0.00299206/step, 2.70931 hours remaining, 206.203125 MB of memory in use. ENERGY: 1740200 748.8767 2096.4069 1942.8359 102.7221 -205646.6788 17560.4653 0.0000 0.0000 34057.7551 -149137.6168 297.4348 -183195.3719 -149042.8672 299.8780 -79.9222 -47.3505 557853.8854 21.1951 20.9800 LDB: ============= START OF LOAD BALANCING ============== 5200.09 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5200.09 LDB: =============== DONE WITH MIGRATION ================ 5200.09 LDB: ============= START OF LOAD BALANCING ============== 5200.39 LDB: Largest compute 4772 load 0.027804 is 23.5% of average load 0.118155 LDB: Average compute 0.001727 is 1.5% of average load 0.118155 LDB: TIME 5200.39 LOAD: AVG 0.118155 MAX 0.208277 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.203 MB LDB: TIME 5200.39 LOAD: AVG 0.118155 MAX 0.208277 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: TIME 5200.39 LOAD: AVG 0.118155 MAX 0.208277 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: ============== END OF LOAD BALANCING =============== 5200.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5200.4 PRESSURE: 1740400 276.396 -0.603931 133.161 -0.604582 -11.7002 -70.1193 133.161 -70.1167 152.972 GPRESSURE: 1740400 263.818 -39.0575 214.241 20.5864 70.568 -112.609 42.7689 -108.284 169.679 PRESSAVG: 1740400 11.3343 -29.0718 -62.721 -29.0718 -6.61258 33.1014 -62.7211 33.1016 2.0906 GPRESSAVG: 1740400 10.5311 -31.8362 -63.8779 -27.5129 -5.57797 33.1974 -62.6997 32.5271 2.23895 TIMING: 1740400 CPU: 5197.15, 0.00304606/step Wall: 5197.15, 0.00304606/step, 2.75804 hours remaining, 206.203125 MB of memory in use. ENERGY: 1740400 741.2072 2159.9223 1920.7695 99.7486 -206278.2775 17949.9877 0.0000 0.0000 34306.5704 -149100.0717 299.6078 -183406.6421 -149007.1330 299.4014 139.2227 168.0216 557697.3698 2.2708 2.3974 PRESSURE: 1740600 -234.329 -23.4726 46.5914 -23.4744 -94.0575 153.228 46.592 153.228 157.68 GPRESSURE: 1740600 -173.186 9.2281 76.6095 8.31606 -79.165 214.339 38.8535 135.968 177.546 PRESSAVG: 1740600 -43.8995 38.3275 68.2214 38.3276 62.2618 21.0272 68.2214 21.0272 10.1408 GPRESSAVG: 1740600 -42.2411 41.8081 68.8406 37.3597 61.1576 21.9403 68.8005 19.8945 9.76775 TIMING: 1740600 CPU: 5197.75, 0.00298393/step Wall: 5197.75, 0.00298393/step, 2.70161 hours remaining, 206.203125 MB of memory in use. ENERGY: 1740600 722.3867 2065.8488 1934.5370 117.1263 -205522.3580 17590.8033 0.0000 0.0000 33977.6321 -149114.0238 296.7351 -183091.6559 -149017.9893 299.2733 -56.9020 -24.9350 557608.0611 9.5010 9.5614 PRESSURE: 1740800 -337.437 73.3782 322.769 73.378 11.9689 -57.5109 322.77 -57.5105 -369.139 GPRESSURE: 1740800 -300.62 37.4405 342.93 80.3862 61.6568 -81.9298 286.45 -93.8942 -344.205 PRESSAVG: 1740800 -64.2531 1.20146 34.9267 1.20143 98.8318 7.07907 34.9267 7.07904 -46.5955 GPRESSAVG: 1740800 -65.2515 -1.26606 37.477 1.93278 99.4464 8.64851 33.2502 9.02737 -46.1915 TIMING: 1740800 CPU: 5198.34, 0.00295219/step Wall: 5198.34, 0.00295219/step, 2.67271 hours remaining, 206.203125 MB of memory in use. ENERGY: 1740800 733.2906 2063.2315 1928.7984 110.9354 -205615.9838 17346.8972 0.0000 0.0000 34209.1103 -149223.7203 298.7567 -183432.8306 -149129.7361 299.1528 -231.5358 -194.3894 557852.9292 -4.0056 -3.9989 PRESSURE: 1741000 -74.9541 -36.644 136.31 -36.6436 -149.097 -99.9359 136.31 -99.9344 95.9492 GPRESSURE: 1741000 -37.3089 -55.6728 98.5422 -22.124 -126.334 -111.99 80.8359 -145.762 147.02 PRESSAVG: 1741000 13.3674 -12.9662 56.343 -12.9663 -49.7535 -35.6953 56.343 -35.6954 5.73741 GPRESSAVG: 1741000 14.5162 -13.0972 51.8563 -13.0685 -50.119 -37.0833 58.0156 -37.0989 4.99747 TIMING: 1741000 CPU: 5198.93, 0.00296355/step Wall: 5198.93, 0.00296355/step, 2.68284 hours remaining, 206.203125 MB of memory in use. ENERGY: 1741000 736.5526 2081.2494 1941.6601 105.5245 -205753.7381 17593.7890 0.0000 0.0000 34083.8586 -149211.1038 297.6628 -183294.9624 -149113.8168 299.6002 -42.7006 -5.5409 556193.5692 -10.2162 -10.2018 PRESSURE: 1741200 -305.766 -43.3081 -96.7589 -43.3084 -70.5182 79.5569 -96.7584 79.5562 -414.537 GPRESSURE: 1741200 -272.824 -179.145 -20.9745 58.639 -67.6714 42.0023 -121.012 44.7267 -359.572 PRESSAVG: 1741200 -13.26 -56.95 11.9041 -56.95 1.87969 -37.0246 11.9041 -37.0246 -10.4409 GPRESSAVG: 1741200 -14.1046 -54.8983 14.9714 -58.6918 1.35926 -35.8654 10.3149 -36.7177 -8.71492 TIMING: 1741200 CPU: 5199.52, 0.00295952/step Wall: 5199.52, 0.00295952/step, 2.67902 hours remaining, 206.203125 MB of memory in use. ENERGY: 1741200 788.1766 2094.4424 1928.3597 119.8883 -205968.1814 17577.3275 0.0000 0.0000 34041.2591 -149418.7278 297.2908 -183459.9869 -149319.1104 298.4221 -263.6072 -233.3558 557337.6442 -7.2737 -7.1534 PRESSURE: 1741400 -254.764 -66.7615 58.6264 -66.7631 -163.175 -6.33158 58.6266 -6.33126 16.9691 GPRESSURE: 1741400 -238.37 -5.1904 -34.841 -70.2857 -80.8451 -125.073 140.128 56.4065 27.1036 PRESSAVG: 1741400 -12.16 2.79261 -4.20859 2.79257 37.5988 -19.2243 -4.20865 -19.2242 14.6191 GPRESSAVG: 1741400 -12.4158 1.82956 -5.89619 2.88069 38.137 -21.5961 -3.05873 -20.1777 14.1811 TIMING: 1741400 CPU: 5200.12, 0.00299095/step Wall: 5200.12, 0.00299095/step, 2.70731 hours remaining, 206.203125 MB of memory in use. ENERGY: 1741400 776.9998 2092.3129 1918.3659 118.3312 -206378.0228 17814.2214 0.0000 0.0000 34292.4012 -149365.3904 299.4841 -183657.7916 -149265.0123 299.2763 -133.6565 -97.3705 557213.6817 13.3526 13.3008 PRESSURE: 1741600 -180.154 -208.443 172.79 -208.443 -71.5562 108.747 172.791 108.746 -342.757 GPRESSURE: 1741600 -180.744 -258.386 185.928 -155.703 -1.98019 95.0788 112.375 176.144 -318.572 PRESSAVG: 1741600 -51.5348 35.4973 77.5366 35.4974 4.21752 7.81225 77.5365 7.81228 36.4638 GPRESSAVG: 1741600 -49.7504 35.9656 77.8197 35.5277 3.44248 7.86808 76.0013 8.7078 35.8583 TIMING: 1741600 CPU: 5200.71, 0.00297289/step Wall: 5200.71, 0.00297289/step, 2.6908 hours remaining, 206.203125 MB of memory in use. ENERGY: 1741600 717.8259 2128.8429 1944.1637 115.0940 -205945.7311 17505.9886 0.0000 0.0000 34147.3093 -149386.5066 298.2169 -183533.8159 -149289.6029 299.0188 -198.1560 -167.0985 558646.5218 -3.6178 -3.4832 PRESSURE: 1741800 10.3242 -196.78 -57.9332 -196.78 -307.356 -101.248 -57.9332 -101.248 -387.147 GPRESSURE: 1741800 -5.32796 -121.325 -45.4451 -152.05 -211.533 -20.6969 -31.879 -151.587 -372.969 PRESSAVG: 1741800 27.7547 6.14269 14.7399 6.14264 -59.3258 38.3615 14.74 38.3614 61.7298 GPRESSAVG: 1741800 28.1378 6.36758 14.2486 6.30959 -59.7724 38.7945 17.0571 37.9239 62.3072 TIMING: 1741800 CPU: 5201.31, 0.00298181/step Wall: 5201.31, 0.00298181/step, 2.6987 hours remaining, 206.203125 MB of memory in use. ENERGY: 1741800 755.5851 2105.2017 1955.8997 105.7194 -206339.0911 17745.5484 0.0000 0.0000 34206.1011 -149465.0357 298.7304 -183671.1368 -149366.3729 298.5925 -228.0594 -196.6101 557847.9965 10.0529 10.2242 PRESSURE: 1742000 6.63213 -162.5 97.7958 -162.499 137.391 -34.3324 97.7962 -34.3308 134.074 GPRESSURE: 1742000 50.6834 -118.07 44.766 -233.801 181.808 23.2311 85.1679 7.82185 140.598 PRESSAVG: 1742000 28.5232 -19.6873 38.6804 -19.6872 19.7356 26.1752 38.6804 26.1753 4.1305 GPRESSAVG: 1742000 26.1105 -21.4066 41.1784 -19.3401 21.0621 25.0325 37.5878 27.2623 5.18412 TIMING: 1742000 CPU: 5201.91, 0.00298866/step Wall: 5201.91, 0.00298866/step, 2.70473 hours remaining, 206.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1742000 765.2670 2019.9356 1909.7278 114.4030 -206633.3700 18139.1916 0.0000 0.0000 34213.2759 -149471.5691 298.7930 -183684.8449 -149381.1593 298.6491 92.6989 124.3632 558345.1152 17.4631 17.4523 PRESSURE: 1742200 49.5761 48.6533 -10.8331 48.6535 -102.753 238.378 -10.834 238.377 -8.76649 GPRESSURE: 1742200 120.195 50.0803 -31.4379 12.7474 -66.4633 248.395 -4.11841 142.226 -22.4535 PRESSAVG: 1742200 8.2212 -37.5105 -18.2975 -37.5106 -16.2871 69.1146 -18.2975 69.1146 -37.6307 GPRESSAVG: 1742200 9.42468 -36.694 -18.3973 -36.8808 -16.2322 71.5755 -19.8491 65.4197 -38.9269 TIMING: 1742200 CPU: 5202.5, 0.00297673/step Wall: 5202.5, 0.00297673/step, 2.69377 hours remaining, 206.203125 MB of memory in use. ENERGY: 1742200 744.1262 2111.7265 1933.2595 124.1564 -206416.4707 17790.6937 0.0000 0.0000 34299.2108 -149413.2976 299.5435 -183712.5084 -149319.0646 298.8986 -20.6476 10.4262 557930.1535 -15.2322 -15.2448 PRESSURE: 1742400 -431.626 -0.50678 -122.592 -0.505184 18.3834 -190.008 -122.593 -190.009 -49.3744 GPRESSURE: 1742400 -397.635 -30.8573 -41.4278 10.8186 24.4035 -137.857 -100.796 -192.086 13.9529 PRESSAVG: 1742400 9.49453 -41.2942 -24.4432 -41.2941 -110.711 39.8427 -24.4432 39.8427 66.0709 GPRESSAVG: 1742400 10.167 -41.9287 -26.0818 -41.1473 -111.235 37.5735 -22.6296 43.4534 65.9682 TIMING: 1742400 CPU: 5203.1, 0.0029761/step Wall: 5203.1, 0.0029761/step, 2.69304 hours remaining, 206.203125 MB of memory in use. ENERGY: 1742400 764.7184 2095.1803 1926.0378 103.0598 -205830.8281 17672.5284 0.0000 0.0000 33892.9397 -149376.3636 295.9955 -183269.3033 -149284.9221 298.9357 -154.2058 -119.7596 557982.4974 -11.7151 -11.6998 PRESSURE: 1742600 -185.953 -34.5294 200.492 -34.5288 -288.379 1.48801 200.493 1.49002 -170.842 GPRESSURE: 1742600 -158.363 -16.6222 134.487 -10.5547 -227.703 27.0523 283.474 -43.3035 -153.608 PRESSAVG: 1742600 -11.6225 60.2489 58.5807 60.2488 -2.28251 -1.40783 58.5808 -1.40784 -5.95297 GPRESSAVG: 1742600 -12.1192 60.4231 58.445 60.8836 -2.58649 -0.571463 59.2418 -3.92047 -4.48122 TIMING: 1742600 CPU: 5203.69, 0.00297345/step Wall: 5203.69, 0.00297345/step, 2.69047 hours remaining, 206.203125 MB of memory in use. ENERGY: 1742600 771.9086 2115.9638 1941.6227 93.1367 -206005.5653 17525.9487 0.0000 0.0000 34281.9064 -149275.0784 299.3924 -183556.9848 -149190.5376 299.1871 -215.0579 -179.8913 555812.8350 -6.6193 -6.3956 PRESSURE: 1742800 -112.842 90.9882 -57.5363 90.9872 -157.56 -7.5327 -57.5382 -7.53217 -1.29441 GPRESSURE: 1742800 -20.6607 69.3451 -50.5754 9.55859 -172.374 -66.1985 -69.9244 98.2705 19.6505 PRESSAVG: 1742800 24.0092 54.369 8.63163 54.3691 -24.9619 30.446 8.63163 30.4459 18.6549 GPRESSAVG: 1742800 25.7355 53.2531 9.53664 55.3692 -25.6187 29.6165 7.2041 30.7608 18.1766 TIMING: 1742800 CPU: 5204.29, 0.0029703/step Wall: 5204.29, 0.0029703/step, 2.68746 hours remaining, 206.203125 MB of memory in use. ENERGY: 1742800 751.5463 2087.3287 1925.8632 117.7902 -206225.1429 17734.7918 0.0000 0.0000 34150.4318 -149457.3909 298.2442 -183607.8227 -149364.0595 298.8227 -90.5654 -57.7946 556014.1029 5.9007 6.0978 PRESSURE: 1743000 -213.521 88.4869 -112.113 88.4863 -68.4543 88.5363 -112.112 88.5359 87.7968 GPRESSURE: 1743000 -153.499 111.152 -66.1698 128.691 -68.8346 122.541 -92.6095 83.5948 124.109 PRESSAVG: 1743000 -60.0287 42.6442 -23.6032 42.6441 16.6167 22.411 -23.603 22.4111 32.55 GPRESSAVG: 1743000 -60.8793 43.45 -25.5353 41.6538 17.8055 22.7298 -22.8402 24.3137 32.655 TIMING: 1743000 CPU: 5204.88, 0.00296004/step Wall: 5204.88, 0.00296004/step, 2.67801 hours remaining, 206.203125 MB of memory in use. ENERGY: 1743000 753.2329 2117.4605 1916.0275 111.1754 -206350.7268 17828.6497 0.0000 0.0000 34243.5411 -149380.6396 299.0574 -183624.1807 -149282.8417 298.9402 -64.7261 -32.7414 556760.2192 -3.6206 -3.4729 PRESSURE: 1743200 -150.035 25.7771 33.6236 25.7758 124.312 32.5621 33.6236 32.5637 -79.7441 GPRESSURE: 1743200 -126.294 25.132 30.7118 -39.8455 135.799 -22.0696 12.2909 47.7633 -28.1791 PRESSAVG: 1743200 -53.7514 6.09234 -24.4869 6.09239 38.7832 20.359 -24.4869 20.359 -2.11157 GPRESSAVG: 1743200 -53.5953 5.33885 -23.3148 5.06327 37.8029 19.7168 -25.1687 19.1449 -1.34185 TIMING: 1743200 CPU: 5205.47, 0.00295491/step Wall: 5205.47, 0.00295491/step, 2.67321 hours remaining, 206.203125 MB of memory in use. ENERGY: 1743200 730.2085 2082.7059 1960.9698 113.5605 -206069.7489 17688.7466 0.0000 0.0000 34236.3065 -149257.2511 298.9942 -183493.5576 -149160.2448 299.2715 -35.1558 -6.2247 556942.8300 -5.6933 -5.7114 PRESSURE: 1743400 -154.773 -36.5797 57.1517 -36.5813 -12.9186 88.7164 57.151 88.7158 -3.28161 GPRESSURE: 1743400 -163.257 79.9534 33.671 -41.9631 19.0077 120.618 92.553 -3.57395 56.3053 PRESSAVG: 1743400 -41.2365 5.29924 -23.3011 5.2993 -18.62 40.7094 -23.3011 40.7096 19.7031 GPRESSAVG: 1743400 -42.6393 5.9432 -21.9001 5.29348 -17.3097 40.6631 -24.7531 42.2624 19.5721 TIMING: 1743400 CPU: 5206.07, 0.00300141/step Wall: 5206.07, 0.00300141/step, 2.71511 hours remaining, 206.203125 MB of memory in use. ENERGY: 1743400 769.0996 2080.4999 1936.4913 104.8499 -206377.4174 17912.1876 0.0000 0.0000 34330.1820 -149244.1071 299.8140 -183574.2892 -149152.5999 299.3672 -56.9909 -29.3147 558222.6762 -13.3845 -13.4590 PRESSURE: 1743600 -363.657 -68.8426 62.25 -68.844 67.8447 -71.5347 62.2501 -71.5357 -23.785 GPRESSURE: 1743600 -357.998 -42.0464 66.8928 -44.2444 101.18 -87.5843 103.301 -81.1548 25.9937 PRESSAVG: 1743600 -82.6785 -31.5153 26.8011 -31.5153 35.6755 8.26782 26.8012 8.26781 -22.738 GPRESSAVG: 1743600 -82.5137 -31.2012 25.4244 -32.436 35.6931 9.39829 28.2808 8.02434 -23.4335 TIMING: 1743600 CPU: 5206.67, 0.00298575/step Wall: 5206.67, 0.00298575/step, 2.70078 hours remaining, 206.203125 MB of memory in use. ENERGY: 1743600 753.7846 2095.6579 1937.0508 105.5071 -206227.7023 17807.8640 0.0000 0.0000 34199.2959 -149328.5419 298.6710 -183527.8378 -149235.5129 299.4658 -106.5323 -76.9415 558166.1691 -23.2470 -23.4180 PRESSURE: 1743800 -180.206 -23.107 182.132 -23.1059 -317.154 159.648 182.131 159.646 -88.3271 GPRESSURE: 1743800 -160.637 -17.9506 148.957 42.5808 -270.522 115.057 182.48 125.093 -40.4371 PRESSAVG: 1743800 -52.4968 28.215 44.3706 28.215 16.9893 -27.5887 44.3706 -27.5887 33.1899 GPRESSAVG: 1743800 -51.6986 29.5063 43.4629 29.1187 17.2207 -27.8655 47.4485 -27.1658 32.3494 TIMING: 1743800 CPU: 5207.27, 0.00299922/step Wall: 5207.27, 0.00299922/step, 2.7128 hours remaining, 206.203125 MB of memory in use. ENERGY: 1743800 738.5902 2091.5860 1951.1159 117.0399 -205980.4379 17460.9647 0.0000 0.0000 34240.5692 -149380.5720 299.0314 -183621.1412 -149276.9769 299.2228 -195.2294 -157.1986 557800.9724 -0.7725 -0.7095 PRESSURE: 1744000 2.69854 128.822 -1.61584 128.822 -197.131 92.9374 -1.61577 92.9369 -3.72099 GPRESSURE: 1744000 44.0816 86.4478 66.496 17.4742 -172.069 56.2566 102.458 121.571 20.513 PRESSAVG: 1744000 42.6555 23.1127 -39.431 23.1127 -48.6738 -0.386913 -39.431 -0.386776 -24.515 GPRESSAVG: 1744000 41.6267 23.5768 -39.4434 23.1037 -49.2027 0.305526 -40.3902 -1.43768 -23.3946 TIMING: 1744000 CPU: 5207.86, 0.00297434/step Wall: 5207.86, 0.00297434/step, 2.69013 hours remaining, 206.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1744000 731.2083 2127.3191 1956.6044 128.6703 -206420.8118 17762.1156 0.0000 0.0000 34270.6334 -149444.2607 299.2940 -183714.8941 -149352.0604 298.8434 -66.0511 -35.8248 556604.8421 -10.1778 -10.3235 PRESSURE: 1744200 -337.668 55.4739 1.56571 55.4737 -113.287 32.3844 1.56585 32.3836 151.808 GPRESSURE: 1744200 -278.549 -29.7719 26.2106 32.4652 -56.0493 -26.8324 -6.04927 86.8177 143.789 PRESSAVG: 1744200 -19.2511 -14.8885 12.25 -14.8884 -38.6285 -19.6538 12.25 -19.6539 61.5919 GPRESSAVG: 1744200 -18.6089 -19.0385 13.8709 -15.0522 -38.1479 -19.0987 11.0931 -19.818 61.1623 TIMING: 1744200 CPU: 5208.46, 0.00298183/step Wall: 5208.46, 0.00298183/step, 2.69673 hours remaining, 206.203125 MB of memory in use. ENERGY: 1744200 776.4696 2109.4077 1920.6544 114.7450 -206242.3252 17671.9658 0.0000 0.0000 34293.2855 -149355.7972 299.4918 -183649.0827 -149267.6662 298.8524 -99.7155 -63.6033 556013.1754 1.2374 1.4685 LDB: ============= START OF LOAD BALANCING ============== 5212.01 LDB: ============== END OF LOAD BALANCING =============== 5212.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5212.01 LDB: ============= START OF LOAD BALANCING ============== 5212.31 LDB: Largest compute 4773 load 0.028447 is 24.1% of average load 0.118170 LDB: Average compute 0.001721 is 1.5% of average load 0.118170 LDB: TIME 5212.31 LOAD: AVG 0.11817 MAX 0.211721 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 5212.31 LOAD: AVG 0.11817 MAX 0.211721 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.43 MB LDB: TIME 5212.31 LOAD: AVG 0.11817 MAX 0.211721 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.43 MB LDB: ============== END OF LOAD BALANCING =============== 5212.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5212.32 PRESSURE: 1744400 -27.3592 26.1264 -29.882 26.1271 -123.198 -32.2912 -29.8826 -32.2913 -57.0992 GPRESSURE: 1744400 -40.3405 -45.2377 -11.6421 116.419 -61.6102 -37.8639 -16.7493 -116.736 -13.4337 PRESSAVG: 1744400 -35.9952 14.0468 -14.581 14.0467 25.3847 -72.7494 -14.581 -72.7494 18.4015 GPRESSAVG: 1744400 -34.8086 16.6481 -14.5524 12.8802 24.0474 -75.5033 -15.0858 -72.4413 18.2334 TIMING: 1744400 CPU: 5209.07, 0.00303589/step Wall: 5209.07, 0.00303589/step, 2.74546 hours remaining, 207.226562 MB of memory in use. ENERGY: 1744400 748.8923 2106.1719 1939.1662 114.3069 -206016.9064 17442.8146 0.0000 0.0000 34242.7838 -149422.7706 299.0507 -183665.5544 -149322.4099 298.7982 -69.2189 -38.4615 556023.3316 2.5970 2.4907 PRESSURE: 1744600 -5.88602 12.4405 12.6374 12.4396 -379.197 -16.0564 12.6381 -16.0577 -334.657 GPRESSURE: 1744600 47.4914 37.9899 -84.3982 2.17568 -351.622 84.7955 -9.53992 -85.8931 -317.862 PRESSAVG: 1744600 -78.882 -48.8256 12.3257 -48.8256 34.5557 42.2902 12.3257 42.2904 15.658 GPRESSAVG: 1744600 -79.7276 -51.0703 11.292 -46.728 35.4376 45.6392 12.4112 40.2837 15.3134 TIMING: 1744600 CPU: 5209.66, 0.00298257/step Wall: 5209.66, 0.00298257/step, 2.69707 hours remaining, 207.226562 MB of memory in use. ENERGY: 1744600 792.5974 2108.6913 1950.6460 107.3819 -206129.0314 17561.8035 0.0000 0.0000 34056.3793 -149551.5321 297.4228 -183607.9113 -149454.4420 298.4930 -239.9133 -207.3309 557759.8629 -9.5561 -9.6589 PRESSURE: 1744800 -196.551 -84.5813 22.5866 -84.582 17.281 -124.719 22.586 -124.719 -149.333 GPRESSURE: 1744800 -160.604 -63.2123 -11.6566 -70.2438 73.3386 -131.881 -45.2902 -143.867 -147.374 PRESSAVG: 1744800 -14.4477 -5.91628 -29.4036 -5.91628 54.604 6.09475 -29.4036 6.09472 -2.70331 GPRESSAVG: 1744800 -14.3886 -2.72418 -29.2463 -6.35654 54.4538 2.54155 -31.2093 8.82065 -1.97842 TIMING: 1744800 CPU: 5210.26, 0.00298853/step Wall: 5210.26, 0.00298853/step, 2.7023 hours remaining, 207.226562 MB of memory in use. ENERGY: 1744800 800.4517 2068.6521 1927.4222 104.4288 -205993.1998 17565.7939 0.0000 0.0000 34011.5539 -149514.8973 297.0314 -183526.4511 -149411.5078 297.6566 -109.5345 -78.2130 557004.1834 12.4843 12.6956 PRESSURE: 1745000 -43.6995 68.8457 -134.576 68.8461 380.813 -139.367 -134.574 -139.368 -134.232 GPRESSURE: 1745000 -63.1726 88.9453 -100.949 86.2959 438.412 -129.708 -114.008 -41.5073 -86.8205 PRESSAVG: 1745000 -120.174 0.116337 -67.7097 0.116304 191.242 12.8624 -67.7096 12.8624 -22.847 GPRESSAVG: 1745000 -120.201 -1.53517 -66.225 0.218508 190.493 12.8426 -66.3594 12.0987 -22.711 TIMING: 1745000 CPU: 5210.86, 0.00300625/step Wall: 5210.86, 0.00300625/step, 2.71815 hours remaining, 207.226562 MB of memory in use. ENERGY: 1745000 762.5270 2065.9522 1937.9740 114.4797 -206439.8729 17906.4322 0.0000 0.0000 34209.9281 -149442.5798 298.7638 -183652.5079 -149343.9191 298.3569 67.6271 96.1398 555446.0202 16.0738 15.8604 PRESSURE: 1745200 -8.38127 12.6553 -58.8425 12.6552 135.421 47.3678 -58.8415 47.3686 129.663 GPRESSURE: 1745200 52.2136 9.97607 -37.4164 -83.0336 119.722 -68.3654 -111.698 118.521 174.016 PRESSAVG: 1745200 -0.818201 -13.4976 -44.4556 -13.4976 40.6992 19.106 -44.4556 19.1059 -20.0898 GPRESSAVG: 1745200 -0.21863 -14.5699 -45.0761 -12.4687 39.9448 20.3193 -43.5549 19.0256 -19.8371 TIMING: 1745200 CPU: 5211.46, 0.00299269/step Wall: 5211.46, 0.00299269/step, 2.70572 hours remaining, 207.226562 MB of memory in use. ENERGY: 1745200 763.7582 2086.4097 1915.3417 108.3226 -206382.5027 17974.1263 0.0000 0.0000 34020.5053 -149514.0388 297.1095 -183534.5441 -149415.8556 298.4870 85.5674 115.3170 557209.1552 6.5971 6.6297 PRESSURE: 1745400 -124.143 150.136 -100.695 150.137 -265.105 74.409 -100.695 74.4096 26.6051 GPRESSURE: 1745400 -55.7918 210.354 -95.4162 96.5681 -258.756 117.624 -111.504 82.3345 48.9931 PRESSAVG: 1745400 -18.2884 1.99122 8.07635 1.99132 -4.92198 38.081 8.07636 38.0809 15.8568 GPRESSAVG: 1745400 -19.161 2.53778 7.51385 0.73361 -4.72472 37.6799 8.43331 36.4023 16.9603 TIMING: 1745400 CPU: 5212.06, 0.00298736/step Wall: 5212.06, 0.00298736/step, 2.70074 hours remaining, 207.226562 MB of memory in use. ENERGY: 1745400 765.8461 2103.3193 1941.8099 117.5754 -206315.5538 17875.9250 0.0000 0.0000 33996.0932 -149514.9849 296.8963 -183511.0781 -149423.5156 298.2303 -120.8810 -88.5181 557772.4977 -2.4512 -2.3084 PRESSURE: 1745600 -131.586 -138.493 137.513 -138.494 150.147 13.4546 137.514 13.4543 67.0015 GPRESSURE: 1745600 -123.445 -99.6914 223.834 -129.619 185.816 -37.3593 115.612 68.109 131.861 PRESSAVG: 1745600 -35.7369 38.5234 -3.34138 38.5234 36.9348 -66.4017 -3.34137 -66.4017 -11.9619 GPRESSAVG: 1745600 -35.8005 39.4022 -0.712753 38.8639 37.3255 -65.78 -4.67898 -65.5747 -12.1229 TIMING: 1745600 CPU: 5212.65, 0.00298319/step Wall: 5212.65, 0.00298319/step, 2.6968 hours remaining, 207.226562 MB of memory in use. ENERGY: 1745600 742.6202 2024.9594 1921.8386 109.9518 -206449.0088 17866.4233 0.0000 0.0000 34349.3149 -149433.9007 299.9811 -183783.2156 -149335.5189 298.3734 28.5210 64.7442 556734.1261 -3.5880 -3.5326 PRESSURE: 1745800 185.808 90.659 -61.5106 90.6586 -221.812 175.771 -61.5113 175.77 177.769 GPRESSURE: 1745800 183.365 70.0695 -69.722 48.1407 -163.884 157.212 -80.1006 171.99 219.119 PRESSAVG: 1745800 -37.115 1.69197 16.686 1.69192 -13.3827 24.6218 16.6859 24.6218 52.7635 GPRESSAVG: 1745800 -36.3761 -0.259262 15.868 2.75197 -12.6869 22.4972 17.6544 24.8705 51.5569 TIMING: 1745800 CPU: 5213.25, 0.00298453/step Wall: 5213.25, 0.00298453/step, 2.69785 hours remaining, 207.226562 MB of memory in use. ENERGY: 1745800 741.4991 2055.0861 1933.9657 119.0869 -206697.2070 18111.2153 0.0000 0.0000 34167.5894 -149568.7644 298.3941 -183736.3538 -149478.6479 298.9081 47.2551 79.5333 557404.1470 0.7553 0.8313 PRESSURE: 1746000 61.2804 10.0115 116.422 10.0111 77.371 86.8269 116.422 86.8264 -68.7456 GPRESSURE: 1746000 102.374 -14.0538 130.031 40.1419 53.4919 146.698 116.227 36.804 20.9647 PRESSAVG: 1746000 2.30516 -1.14234 3.79865 -1.14235 -73.6144 8.99044 3.79859 8.99034 58.6415 GPRESSAVG: 1746000 1.06861 -0.928414 4.30711 -3.02956 -72.5818 11.3592 2.71706 10.4331 58.4908 TIMING: 1746000 CPU: 5213.85, 0.00301709/step Wall: 5213.85, 0.00301709/step, 2.72711 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1746000 700.1963 2069.1181 1953.1413 111.7451 -206691.8939 17904.4896 0.0000 0.0000 34374.4265 -149578.7772 300.2004 -183953.2036 -149478.6230 298.1428 23.3019 58.9434 556516.8809 -4.2226 -4.3408 PRESSURE: 1746200 -114.075 32.4324 -24.3589 32.4326 -161.417 40.6332 -24.3591 40.6321 -35.1085 GPRESSURE: 1746200 -19.6961 104.745 -8.97991 12.1378 -186 52.794 -5.84167 121.281 -9.98896 PRESSAVG: 1746200 39.6597 -17.3838 -4.16594 -17.3839 -74.3561 -25.7456 -4.1661 -25.7455 24.4039 GPRESSAVG: 1746200 41.0817 -17.324 -6.67829 -15.3692 -76.5938 -26.821 -2.15254 -27.1469 24.6197 TIMING: 1746200 CPU: 5214.45, 0.00297984/step Wall: 5214.45, 0.00297984/step, 2.69328 hours remaining, 207.425781 MB of memory in use. ENERGY: 1746200 743.0684 2088.0778 1920.5758 115.8186 -206365.4303 17746.4846 0.0000 0.0000 34289.8692 -149461.5359 299.4620 -183751.4051 -149371.2611 298.0885 -103.5335 -71.8951 557166.4467 -3.4308 -3.6308 PRESSURE: 1746400 -2.77737 57.2133 -57.2799 57.2121 -96.8381 266.329 -57.2802 266.329 37.6067 GPRESSURE: 1746400 -1.88906 73.9796 -88.8645 76.2439 -22.2161 239.442 -24.431 282.34 51.7431 PRESSAVG: 1746400 61.8695 -29.2474 -12.1211 -29.2474 -43.507 -23.9162 -12.1211 -23.9162 -6.21038 GPRESSAVG: 1746400 61.4726 -27.8299 -12.3975 -30.3992 -43.5844 -23.6381 -13.8518 -23.2571 -6.70738 TIMING: 1746400 CPU: 5215.05, 0.00299129/step Wall: 5215.05, 0.00299129/step, 2.70346 hours remaining, 207.425781 MB of memory in use. ENERGY: 1746400 784.7949 2017.1297 1911.8248 108.7321 -206389.6837 17803.3471 0.0000 0.0000 34458.7031 -149305.1520 300.9364 -183763.8551 -149210.7639 298.8827 -20.6696 9.2126 555297.5820 4.0507 3.7269 PRESSURE: 1746600 49.6834 -23.9769 -184.363 -23.9764 64.9572 11.4832 -184.362 11.4826 198.116 GPRESSURE: 1746600 51.7928 42.2414 -276.483 -73.6402 86.0218 15.273 -102.808 41.6217 274.283 PRESSAVG: 1746600 64.7678 -62.8843 -15.74 -62.8843 -33.5758 36.4174 -15.7401 36.4175 8.94243 GPRESSAVG: 1746600 64.7186 -62.5125 -16.6915 -63.6269 -33.4701 36.9054 -14.4112 35.8284 9.37428 TIMING: 1746600 CPU: 5215.64, 0.0029773/step Wall: 5215.64, 0.0029773/step, 2.69065 hours remaining, 207.425781 MB of memory in use. ENERGY: 1746600 734.4310 2028.5941 1932.5456 118.8822 -206348.1689 18005.9634 0.0000 0.0000 34286.7339 -149241.0188 299.4346 -183527.7526 -149145.9791 299.0934 104.2523 137.3658 556645.7341 13.3781 13.5410 PRESSURE: 1746800 304.999 63.2338 -93.7382 63.2338 30.4795 174.09 -93.7385 174.09 137.572 GPRESSURE: 1746800 313.914 93.6061 -112.653 42.3693 83.9699 199.187 -72.5463 154.949 158.187 PRESSAVG: 1746800 41.146 -11.4272 -43.9999 -11.4271 8.85308 70.5908 -43.9998 70.5908 -43.4398 GPRESSAVG: 1746800 40.5791 -11.2125 -43.2239 -11.8546 9.58099 69.2821 -43.8994 70.3241 -43.4286 TIMING: 1746800 CPU: 5216.24, 0.00299027/step Wall: 5216.24, 0.00299027/step, 2.70221 hours remaining, 207.425781 MB of memory in use. ENERGY: 1746800 750.4343 2003.7258 1932.9592 108.2211 -206258.0772 17983.1439 0.0000 0.0000 34360.8885 -149118.7044 300.0822 -183479.5930 -149023.6463 299.7196 157.6835 185.3568 556616.3541 2.1864 2.2438 PRESSURE: 1747000 60.1798 70.8306 -28.339 70.8293 -14.4584 86.5992 -28.3384 86.5992 -212.027 GPRESSURE: 1747000 95.9723 102.483 -11.4675 30.9726 28.3849 100.139 -22.7965 52.8178 -190.134 PRESSAVG: 1747000 52.4171 21.3857 -1.97003 21.3857 -73.0032 -49.0529 -1.97007 -49.0528 39.2312 GPRESSAVG: 1747000 51.5431 19.7151 -0.48199 23.1831 -72.4663 -47.6795 -2.8793 -48.554 39.5028 TIMING: 1747000 CPU: 5216.84, 0.00297453/step Wall: 5216.84, 0.00297453/step, 2.68782 hours remaining, 207.425781 MB of memory in use. ENERGY: 1747000 732.7991 2066.8652 1957.9617 113.4424 -205807.8480 17726.9560 0.0000 0.0000 34156.9343 -149052.8893 298.3010 -183209.8236 -148960.1971 299.6963 -55.4352 -21.9257 559170.2594 6.2150 6.1932 PRESSURE: 1747200 178.478 -50.139 -115.416 -50.1384 -6.58904 187.345 -115.418 187.345 56.8815 GPRESSURE: 1747200 266.095 -28.0796 -19.409 -45.5429 5.63281 227.475 -158.299 160.177 57.0745 PRESSAVG: 1747200 42.5846 -7.77396 32.7002 -7.77388 -16.557 36.9529 32.7003 36.9528 -62.6827 GPRESSAVG: 1747200 43.5168 -6.56534 32.2703 -10.1993 -16.3009 35.783 32.6937 36.9253 -63.4985 TIMING: 1747200 CPU: 5217.43, 0.00297107/step Wall: 5217.43, 0.00297107/step, 2.68453 hours remaining, 207.425781 MB of memory in use. ENERGY: 1747200 705.8155 2073.7631 1942.4666 115.0391 -206315.7603 17969.3455 0.0000 0.0000 34453.6545 -149055.6760 300.8923 -183509.3305 -148952.9753 299.6358 76.2568 109.6006 558085.8842 -12.2184 -12.0942 PRESSURE: 1747400 -184.272 -29.0537 17.6193 -29.0548 -222.026 -116.934 17.6192 -116.932 201.138 GPRESSURE: 1747400 -151.64 -44.5003 30.4333 8.62209 -164.584 -126.275 49.1175 -164.377 205.588 PRESSAVG: 1747400 22.524 26.5192 -41.0007 26.5193 -12.187 9.51106 -41.0008 9.51115 13.6453 GPRESSAVG: 1747400 22.9504 26.3234 -42.2583 29.5182 -13.7473 9.391 -39.2363 10.2119 15.4344 TIMING: 1747400 CPU: 5218.03, 0.00297773/step Wall: 5218.03, 0.00297773/step, 2.69038 hours remaining, 207.425781 MB of memory in use. ENERGY: 1747400 797.9535 2062.2916 1937.5188 113.8800 -206016.1862 17830.6090 0.0000 0.0000 34309.3130 -148964.6204 299.6318 -183273.9334 -148873.3666 299.3518 -68.3866 -36.8786 557648.8015 7.9941 8.2125 PRESSURE: 1747600 -14.9975 11.1182 -23.3725 11.1187 -158.485 167.689 -23.3718 167.69 -43.6515 GPRESSURE: 1747600 26.145 -24.843 26.065 -66.2461 -116.028 128.731 -13.8171 198.967 -30.6554 PRESSAVG: 1747600 -34.5306 14.8627 -17.2058 14.8627 17.0686 77.1272 -17.2058 77.1272 -3.97659 GPRESSAVG: 1747600 -35.2717 11.7779 -16.7652 12.2224 18.5956 78.336 -16.5248 75.325 -5.02289 TIMING: 1747600 CPU: 5218.62, 0.00297159/step Wall: 5218.62, 0.00297159/step, 2.68466 hours remaining, 207.425781 MB of memory in use. ENERGY: 1747600 746.9317 2123.3219 1922.5900 116.9626 -205698.5573 17639.7548 0.0000 0.0000 34365.0490 -148783.9473 300.1185 -183148.9963 -148687.6797 300.0513 -72.3778 -40.1796 558435.3461 -7.1462 -7.2330 PRESSURE: 1747800 -221.473 66.4164 -129.768 66.4164 38.1334 68.4713 -129.769 68.4724 -261.145 GPRESSURE: 1747800 -184.442 74.0537 -251.977 58.1495 56.7869 30.249 -42.3402 130.576 -213.17 PRESSAVG: 1747800 -27.4568 -8.82086 37.9087 -8.82083 -26.4851 -14.5936 37.9088 -14.5936 52.1762 GPRESSAVG: 1747800 -26.423 -5.87566 38.3868 -9.85779 -26.1616 -15.5848 37.0213 -13.4452 51.3752 TIMING: 1747800 CPU: 5219.21, 0.00296707/step Wall: 5219.21, 0.00296707/step, 2.68042 hours remaining, 207.425781 MB of memory in use. ENERGY: 1747800 770.4174 2119.8529 1933.6135 109.5520 -205681.9710 17705.3368 0.0000 0.0000 34109.9621 -148933.2362 297.8908 -183043.1983 -148835.3905 299.5424 -148.1615 -113.6086 559217.4649 -0.5886 -0.4032 PRESSURE: 1748000 -3.43074 54.5286 -13.3254 54.5288 -228.271 -14.5737 -13.3252 -14.5738 -191.622 GPRESSURE: 1748000 97.5868 118.612 67.3131 -12.1927 -230.69 72.9454 -11.8341 -36.2323 -191.445 PRESSAVG: 1748000 5.97192 10.62 14.8159 10.62 34.9041 -20.9501 14.8159 -20.9501 -34.7744 GPRESSAVG: 1748000 5.50063 11.0328 15.4392 11.4663 34.9529 -20.8171 13.8901 -20.1502 -34.6011 TIMING: 1748000 CPU: 5219.8, 0.00294888/step Wall: 5219.8, 0.00294888/step, 2.66382 hours remaining, 207.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1748000 782.4758 2096.2361 1943.7460 113.5067 -205820.2181 17604.1564 0.0000 0.0000 34176.2595 -149103.8376 298.4698 -183280.0971 -149014.0628 298.8764 -141.1077 -108.1829 558426.4347 2.0339 1.9508 PRESSURE: 1748200 172.888 -209.459 -63.6037 -209.458 243.867 -35.7334 -63.6033 -35.7333 420.531 GPRESSURE: 1748200 246.004 -170.479 -15.9032 -275.467 272.718 -109.837 -65.5893 -26.7841 426.407 PRESSAVG: 1748200 -61.5415 5.33511 6.99761 5.33517 27.6836 -46.1681 6.99755 -46.1682 37.8895 GPRESSAVG: 1748200 -60.1985 4.39801 5.91262 5.71567 27.571 -45.6619 7.31574 -46.0855 37.2095 TIMING: 1748200 CPU: 5220.39, 0.00293462/step Wall: 5220.39, 0.00293462/step, 2.65078 hours remaining, 207.425781 MB of memory in use. ENERGY: 1748200 758.3382 2110.0858 1941.4607 111.0125 -206463.9458 18344.8925 0.0000 0.0000 34239.4050 -148958.7511 299.0212 -183198.1561 -148865.5861 300.0788 279.0953 315.0430 557749.4734 1.3439 1.5273 LDB: ============= START OF LOAD BALANCING ============== 5223.94 LDB: ============== END OF LOAD BALANCING =============== 5223.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5223.94 LDB: ============= START OF LOAD BALANCING ============== 5224.23 LDB: Largest compute 4773 load 0.026363 is 22.3% of average load 0.118105 LDB: Average compute 0.001729 is 1.5% of average load 0.118105 LDB: TIME 5224.23 LOAD: AVG 0.118105 MAX 0.211472 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 5224.23 LOAD: AVG 0.118105 MAX 0.211472 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: TIME 5224.23 LOAD: AVG 0.118105 MAX 0.211472 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: ============== END OF LOAD BALANCING =============== 5224.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5224.24 PRESSURE: 1748400 -269.761 -166.749 22.1504 -166.749 -141.982 8.86504 22.15 8.86669 -76.2063 GPRESSURE: 1748400 -241.829 -163.116 -16.2463 -119.656 -127.058 2.78831 14.4608 57.6649 -27.6198 PRESSAVG: 1748400 -23.5115 21.3531 3.76188 21.3531 1.6483 -10.4957 3.76187 -10.4959 28.694 GPRESSAVG: 1748400 -25.0358 20.6198 3.76928 21.9054 1.79792 -9.62181 6.47382 -10.9779 30.0338 TIMING: 1748400 CPU: 5220.99, 0.00299888/step Wall: 5220.99, 0.00299888/step, 2.70865 hours remaining, 206.203125 MB of memory in use. ENERGY: 1748400 780.3601 2144.0661 1935.1168 111.4552 -205971.0560 17665.3657 0.0000 0.0000 34231.1429 -149103.5491 298.9491 -183334.6921 -149006.0747 299.6271 -162.6499 -132.1692 558706.2910 2.2769 2.2653 PRESSURE: 1748600 -106.422 60.0411 128.632 60.041 -266.02 125.846 128.633 125.846 -174.127 GPRESSURE: 1748600 -72.1679 7.39071 81.9586 -63.7719 -237.032 92.7325 108.319 128.228 -131.588 PRESSAVG: 1748600 -34.4365 8.07488 22.4379 8.07491 -29.1246 -19.7587 22.4379 -19.7588 -21.4938 GPRESSAVG: 1748600 -34.0561 8.91713 23.7272 8.50453 -29.2047 -20.378 19.5387 -18.7847 -21.9727 TIMING: 1748600 CPU: 5221.59, 0.00299013/step Wall: 5221.59, 0.00299013/step, 2.70058 hours remaining, 206.203125 MB of memory in use. ENERGY: 1748600 743.9618 2153.4031 1920.8216 94.2766 -205874.8801 17625.7024 0.0000 0.0000 34260.0863 -149076.6283 299.2019 -183336.7146 -148979.4443 299.0262 -182.1895 -146.9291 558604.1704 -28.3516 -28.4112 PRESSURE: 1748800 77.0092 1.85716 39.9042 1.85682 -25.1913 70.8076 39.9044 70.8058 165.494 GPRESSURE: 1748800 157.497 90.2808 -11.0727 -58.9339 -35.6415 45.6391 36.3474 55.1989 190.001 PRESSAVG: 1748800 107.555 17.6473 46.1427 17.6474 -46.7599 -8.77064 46.1427 -8.77076 -32.7441 GPRESSAVG: 1748800 107.341 17.254 45.5767 19.1744 -47.7312 -7.68577 46.3756 -11.72 -31.8695 TIMING: 1748800 CPU: 5222.19, 0.00301451/step Wall: 5222.19, 0.00301451/step, 2.72244 hours remaining, 206.203125 MB of memory in use. ENERGY: 1748800 699.0724 2113.1003 1941.2891 106.0745 -205974.4135 17801.9593 0.0000 0.0000 34386.2578 -148926.6601 300.3037 -183312.9179 -148827.2030 300.1747 72.4373 103.9523 558425.7792 9.3501 9.2469 PRESSURE: 1749000 144.124 72.1891 -179.162 72.1886 -27.9148 -15.7861 -179.163 -15.7859 -104.769 GPRESSURE: 1749000 183.108 135.858 -68.6926 20.7331 42.1569 7.7295 -191.06 -38.8493 -113.351 PRESSAVG: 1749000 -15.7493 38.2446 43.8998 38.2445 17.126 11.9002 43.8999 11.9001 -7.17996 GPRESSAVG: 1749000 -16.2012 38.6919 44.7227 36.6274 18.697 10.9859 45.0768 15.7527 -8.45528 TIMING: 1749000 CPU: 5222.79, 0.0030022/step Wall: 5222.79, 0.0030022/step, 2.71115 hours remaining, 206.203125 MB of memory in use. ENERGY: 1749000 783.4769 2074.6998 1944.3232 110.3498 -206209.0790 17992.8747 0.0000 0.0000 34385.7196 -148917.6350 300.2990 -183303.3546 -148814.1738 300.3498 3.8134 37.3048 558796.8869 -1.9344 -1.9865 PRESSURE: 1749200 0.106647 97.3578 -49.614 97.3568 -97.09 150.498 -49.6134 150.498 -228.265 GPRESSURE: 1749200 30.8485 82.1936 36.1727 63.3333 -34.0542 166.069 -92.4721 99.795 -225.452 PRESSAVG: 1749200 6.49654 22.9595 3.35926 22.9595 33.9322 15.7565 3.35924 15.7565 -13.6991 GPRESSAVG: 1749200 6.42927 21.4125 2.10289 25.2574 32.7671 16.7391 3.79399 12.3536 -12.2667 TIMING: 1749200 CPU: 5223.39, 0.00298297/step Wall: 5223.39, 0.00298297/step, 2.69362 hours remaining, 206.203125 MB of memory in use. ENERGY: 1749200 792.2273 2048.9995 1950.3344 116.1675 -206265.2150 17946.3657 0.0000 0.0000 34257.3931 -149153.7275 299.1783 -183411.1206 -149058.6979 299.7062 -108.4162 -76.2193 559824.8998 8.9099 8.9766 PRESSURE: 1749400 -232.393 -38.1668 41.5085 -38.1672 115.46 -57.9768 41.5088 -57.9751 -123.506 GPRESSURE: 1749400 -197.527 53.8148 84.7221 -99.0514 198.44 89.5501 -7.26959 -54.4789 -153.728 PRESSAVG: 1749400 -17.6123 4.794 11.1449 4.7941 48.2637 24.2019 11.1449 24.2019 -11.1813 GPRESSAVG: 1749400 -16.7945 4.90002 11.6404 3.52233 48.4839 22.9844 10.0815 25.6309 -12.0833 TIMING: 1749400 CPU: 5223.99, 0.00299618/step Wall: 5223.99, 0.00299618/step, 2.70538 hours remaining, 206.203125 MB of memory in use. ENERGY: 1749400 772.9685 2105.7383 1960.2744 98.6545 -205973.0773 17664.0813 0.0000 0.0000 34424.8519 -148946.5083 300.6408 -183371.3602 -148849.4082 299.4598 -80.1462 -50.9384 559088.7633 6.4900 6.5354 PRESSURE: 1749600 -85.3448 84.0954 -86.3846 84.0951 -74.819 -115.134 -86.3845 -115.134 138.237 GPRESSURE: 1749600 -70.1965 55.7091 -80.9681 88.5277 -14.1955 -161.202 -118.021 -82.5235 154.877 PRESSAVG: 1749600 -35.196 45.3288 24.9617 45.3288 71.1795 4.75405 24.9617 4.75406 -18.09 GPRESSAVG: 1749600 -35.7372 46.726 23.7628 44.5742 71.3454 4.40465 24.211 4.49527 -17.6587 TIMING: 1749600 CPU: 5224.59, 0.00298987/step Wall: 5224.59, 0.00298987/step, 2.69952 hours remaining, 206.203125 MB of memory in use. ENERGY: 1749600 737.3207 2165.9624 1934.0048 114.5034 -205841.5166 17710.8519 0.0000 0.0000 34292.9796 -148885.8938 299.4891 -183178.8734 -148790.2583 300.0749 -7.3088 23.4951 558159.4569 5.9645 5.9832 PRESSURE: 1749800 -10.0634 -25.1875 -118.745 -25.1878 -156.791 79.1415 -118.747 79.1419 -156.746 GPRESSURE: 1749800 29.4222 -84.4907 -137.815 -11.7972 -155.777 94.8738 -148.093 23.9124 -99.3404 PRESSAVG: 1749800 -12.8645 -1.80754 -11.6883 -1.80751 17.9217 39.2806 -11.6883 39.2808 13.2352 GPRESSAVG: 1749800 -13.2438 -1.11566 -10.7154 -1.83087 16.9324 39.6843 -9.93161 39.7185 14.5688 TIMING: 1749800 CPU: 5225.18, 0.00296802/step Wall: 5225.18, 0.00296802/step, 2.67963 hours remaining, 206.203125 MB of memory in use. ENERGY: 1749800 765.7468 2162.8117 1925.6073 109.2015 -206051.1722 17836.1474 0.0000 0.0000 34286.6731 -148964.9846 299.4340 -183251.6576 -148864.1709 299.8122 -107.8668 -75.2316 559333.2227 6.0975 6.0858 PRESSURE: 1750000 287.04 210.342 157.574 210.342 -225.958 159.734 157.573 159.734 -99.9675 GPRESSURE: 1750000 311.294 224.867 129.6 138.578 -168.867 137.367 209.842 139.225 -88.4506 PRESSAVG: 1750000 -9.64008 -19.4099 -0.0234337 -19.4099 -29.5713 18.9162 -0.0234716 18.9162 35.7477 GPRESSAVG: 1750000 -8.97308 -19.4786 -0.533986 -18.3023 -28.6961 18.6788 1.18593 16.8785 34.2267 TIMING: 1750000 CPU: 5225.78, 0.00302394/step Wall: 5225.78, 0.00302394/step, 2.72995 hours remaining, 206.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1750000 697.0408 2184.9572 1949.8749 115.5262 -206296.6060 17944.1704 0.0000 0.0000 34439.3165 -148965.7200 300.7671 -183405.0365 -148870.1325 299.6815 -12.9619 17.9922 558887.1806 -1.1545 -1.1475 PRESSURE: 1750200 85.9009 -147.732 1.90031 -147.731 194.102 73.3821 1.90094 73.3803 199.89 GPRESSURE: 1750200 77.4555 -228.119 -47.3462 -64.7374 259.036 -16.3544 43.4268 90.0561 235.867 PRESSAVG: 1750200 -16.1606 4.34463 8.85784 4.34462 -5.64224 30.7506 8.85777 30.7506 10.4711 GPRESSAVG: 1750200 -15.0335 5.17485 10.1399 4.18525 -6.68415 31.7198 7.26657 31.8568 10.3649 TIMING: 1750200 CPU: 5226.38, 0.00298761/step Wall: 5226.38, 0.00298761/step, 2.69698 hours remaining, 206.203125 MB of memory in use. ENERGY: 1750200 789.6389 2019.4877 1923.7848 104.6878 -206263.0086 18227.2811 0.0000 0.0000 34198.5053 -148999.6230 298.6641 -183198.1283 -148909.7624 299.1909 159.9642 190.7863 558048.3995 -3.7772 -3.7843 PRESSURE: 1750400 41.2395 -171.005 71.3082 -171.005 219.225 155.329 71.3089 155.328 41.3688 GPRESSURE: 1750400 88.5858 -122.914 8.6258 -160.706 226.153 289.454 119.938 41.1196 88.5498 PRESSAVG: 1750400 -5.25383 -31.587 -0.982297 -31.587 5.10971 12.3486 -0.982306 12.3487 1.59985 GPRESSAVG: 1750400 -6.89985 -34.5835 -2.99906 -30.9177 4.8847 13.6498 0.815947 12.1961 3.8327 TIMING: 1750400 CPU: 5226.99, 0.00301787/step Wall: 5226.99, 0.00301787/step, 2.72413 hours remaining, 206.203125 MB of memory in use. ENERGY: 1750400 756.1177 2074.3106 1963.0521 110.4369 -206436.7187 17957.3024 0.0000 0.0000 34421.9069 -149153.5922 300.6151 -183575.4991 -149053.3606 299.4626 100.6112 134.4296 558112.5321 0.4852 0.6058 PRESSURE: 1750600 56.2103 -10.4806 94.2501 -10.4817 30.6146 -10.5038 94.2508 -10.5041 -177.713 GPRESSURE: 1750600 102.107 -10.4293 130.272 -45.7188 51.5077 57.8372 89.3838 -7.98174 -154.532 PRESSAVG: 1750600 72.4343 24.3278 14.2188 24.3277 -31.2913 5.41915 14.2189 5.41914 22.5778 GPRESSAVG: 1750600 72.8472 28.6479 15.4429 21.9888 -30.6492 3.39437 11.267 7.64266 21.7615 TIMING: 1750600 CPU: 5227.58, 0.00298661/step Wall: 5227.58, 0.00298661/step, 2.69575 hours remaining, 206.203125 MB of memory in use. ENERGY: 1750600 752.9606 2070.2137 1973.9857 103.6670 -206194.6598 17913.2470 0.0000 0.0000 34277.4976 -149103.0881 299.3539 -183380.5857 -148998.8390 299.6420 -30.2959 -0.3055 559494.4498 21.2402 21.3198 PRESSURE: 1750800 -93.5174 -131.205 -195.726 -131.204 -153.049 -121.123 -195.726 -121.123 -106.067 GPRESSURE: 1750800 -44.5458 -140.13 -257.345 -148.612 -152.529 -66.286 -129.2 -87.863 -64.8657 PRESSAVG: 1750800 -0.430106 -28.2936 -30.8922 -28.2936 2.01304 -66.7071 -30.8921 -66.707 -33.7732 GPRESSAVG: 1750800 0.337616 -29.5035 -31.691 -27.2158 1.89058 -67.0965 -28.5161 -67.8504 -34.425 TIMING: 1750800 CPU: 5228.18, 0.0029841/step Wall: 5228.18, 0.0029841/step, 2.69331 hours remaining, 206.203125 MB of memory in use. ENERGY: 1750800 787.6054 2057.3309 1930.0186 119.5172 -205941.7971 17824.3611 0.0000 0.0000 34291.2523 -148931.7116 299.4740 -183222.9639 -148831.2871 299.6499 -117.5444 -87.3135 559751.0768 -10.7301 -10.7323 PRESSURE: 1751000 185.919 -6.39961 -60.2194 -6.39995 11.244 73.6892 -60.2186 73.6894 -204.012 GPRESSURE: 1751000 181.66 -51.9468 -66.8311 69.2816 39.6773 74.016 4.14875 79.1762 -131.943 PRESSAVG: 1751000 67.421 19.2819 -67.1553 19.282 0.500938 -19.3853 -67.1554 -19.3854 -106.105 GPRESSAVG: 1751000 66.431 17.8839 -65.1352 19.54 2.06014 -19.1658 -69.2633 -19.3667 -107.138 TIMING: 1751000 CPU: 5228.78, 0.00301171/step Wall: 5228.78, 0.00301171/step, 2.71807 hours remaining, 206.203125 MB of memory in use. ENERGY: 1751000 759.2066 2123.0986 1940.9282 114.0472 -205670.4434 17546.0546 0.0000 0.0000 34220.4875 -148966.6208 298.8560 -183187.1082 -148869.1467 299.8636 -2.2829 29.7980 557907.8290 -12.7279 -12.8821 PRESSURE: 1751200 -229.895 41.9117 24.707 41.9103 -145.825 99.0422 24.7069 99.0421 -391.685 GPRESSURE: 1751200 -182.908 82.486 -28.729 42.6932 -117.119 125.363 -76.6364 134.811 -377 PRESSAVG: 1751200 -8.06413 10.5248 -6.12824 10.5248 32.1139 19.6958 -6.12829 19.696 -27.8307 GPRESSAVG: 1751200 -6.59711 10.1704 -6.7439 10.318 30.2246 20.3033 -4.20073 19.5363 -27.1029 TIMING: 1751200 CPU: 5229.38, 0.0029963/step Wall: 5229.38, 0.0029963/step, 2.704 hours remaining, 206.203125 MB of memory in use. ENERGY: 1751200 694.7940 2133.3765 1942.3490 112.3924 -205650.7399 17389.7109 0.0000 0.0000 34190.7073 -149187.4098 298.5960 -183378.1171 -149090.0394 299.5372 -255.8016 -225.6755 558310.8619 -1.2603 -1.1584 PRESSURE: 1751400 23.5938 81.3154 7.10655 81.3152 -62.0178 158.728 7.10697 158.728 28.2031 GPRESSURE: 1751400 35.7304 96.998 -18.7845 64.8813 -19.868 41.8201 70.9568 254.83 87.1388 PRESSAVG: 1751400 37.4652 33.1762 0.0285055 33.1762 -45.2948 -7.75553 0.0285478 -7.75563 -9.22511 GPRESSAVG: 1751400 35.9214 34.538 1.12832 32.3069 -43.8478 -8.63296 -2.13016 -6.93563 -9.56021 TIMING: 1751400 CPU: 5229.98, 0.00301744/step Wall: 5229.98, 0.00301744/step, 2.7229 hours remaining, 206.203125 MB of memory in use. ENERGY: 1751400 760.4872 2095.9238 1930.0789 126.3514 -206106.5715 17996.0073 0.0000 0.0000 33915.7534 -149281.9695 296.1947 -183197.7229 -149188.3916 299.2690 -3.4070 34.3337 558561.8845 -5.6849 -5.8289 PRESSURE: 1751600 116.292 68.5033 -37.6258 68.5029 228.284 -30.9794 -37.6258 -30.9786 -88.6978 GPRESSURE: 1751600 184.605 113.274 -38.0166 82.9915 218.777 27.9393 -120.075 -47.5507 -49.2976 PRESSAVG: 1751600 21.4604 59.4109 34.7731 59.411 -32.5624 -0.760465 34.7732 -0.760571 23.1427 GPRESSAVG: 1751600 21.6482 59.0709 30.4025 60.1777 -33.7456 0.396585 36.3376 -1.94499 23.7817 TIMING: 1751600 CPU: 5230.58, 0.00299563/step Wall: 5230.58, 0.00299564/step, 2.70306 hours remaining, 206.203125 MB of memory in use. ENERGY: 1751600 744.6564 2127.2104 1952.7336 111.6964 -206367.4237 17924.3239 0.0000 0.0000 34195.5303 -149311.2727 298.6381 -183506.8029 -149218.5906 298.9958 85.2927 118.0282 557290.6327 4.0136 3.8948 PRESSURE: 1751800 141.296 -27.6369 60.7275 -27.6374 126.484 149.535 60.727 149.534 103.28 GPRESSURE: 1751800 93.2441 -62.7136 96.7329 -143.097 192.497 179.089 49.9478 130.589 182.829 PRESSAVG: 1751800 38.4651 -3.86197 6.41899 -3.86195 -10.1867 -12.0011 6.41892 -12.0011 -1.04149 GPRESSAVG: 1751800 37.5735 -3.23049 7.82287 -3.42876 -9.12683 -13.3501 5.28792 -11.6727 -1.41402 TIMING: 1751800 CPU: 5231.18, 0.00297302/step Wall: 5231.18, 0.00297302/step, 2.68249 hours remaining, 206.203125 MB of memory in use. ENERGY: 1751800 692.3964 2111.7735 1970.3999 107.1277 -206495.4841 17849.2700 0.0000 0.0000 34295.5375 -149468.9791 299.5115 -183764.5166 -149370.9470 299.4636 123.6868 156.1902 557065.2433 9.0790 9.0109 PRESSURE: 1752000 -170.438 -70.3554 88.4225 -70.3565 41.6293 -164.055 88.422 -164.056 -104.402 GPRESSURE: 1752000 -181.861 -25.0427 -6.2652 -100.525 64.3238 -240.203 58.6771 -73.6403 -17.4867 PRESSAVG: 1752000 -2.35104 -77.1719 -6.33078 -77.172 38.2361 -19.8735 -6.33077 -19.8734 -59.1992 GPRESSAVG: 1752000 -0.967152 -78.6618 -3.19062 -75.7198 37.5429 -18.2373 -7.53883 -19.7295 -59.4316 TIMING: 1752000 CPU: 5231.77, 0.0029635/step Wall: 5231.77, 0.0029635/step, 2.67373 hours remaining, 206.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1752000 730.4286 2086.9538 1942.1929 111.5934 -206301.8250 17772.9947 0.0000 0.0000 34245.6293 -149412.0322 299.0756 -183657.6616 -149311.2283 298.4905 -77.7367 -45.0079 558175.2377 -7.7714 -7.6186 PRESSURE: 1752200 -125.19 58.5448 37.1204 58.5445 -183.304 -30.4629 37.1199 -30.4626 -48.5731 GPRESSURE: 1752200 -122.031 151.695 -6.15594 -84.0884 -142.536 -27.184 34.714 32.6387 3.85003 PRESSAVG: 1752200 25.1728 -8.36946 23.165 -8.36951 -4.13795 -7.56824 23.1651 -7.5683 1.8948 GPRESSAVG: 1752200 25.1748 -8.41746 22.3029 -11.0314 -4.48546 -8.87904 25.1895 -7.54431 1.66049 TIMING: 1752200 CPU: 5232.36, 0.00296175/step Wall: 5232.36, 0.00296175/step, 2.67199 hours remaining, 206.203125 MB of memory in use. ENERGY: 1752200 741.5394 2078.3871 1920.3314 117.1340 -206360.8015 17759.4777 0.0000 0.0000 34109.1743 -149634.7576 297.8839 -183743.9319 -149536.0475 298.1972 -119.0223 -86.9055 558233.6652 7.6432 7.4500 LDB: ============= START OF LOAD BALANCING ============== 5235.91 LDB: ============== END OF LOAD BALANCING =============== 5235.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5235.91 LDB: ============= START OF LOAD BALANCING ============== 5236.21 LDB: Largest compute 4773 load 0.027392 is 23.2% of average load 0.118275 LDB: Average compute 0.001727 is 1.5% of average load 0.118275 LDB: TIME 5236.22 LOAD: AVG 0.118275 MAX 0.213925 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.996 MB LDB: TIME 5236.22 LOAD: AVG 0.118275 MAX 0.213925 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.195 MB LDB: TIME 5236.22 LOAD: AVG 0.118275 MAX 0.213925 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.195 MB LDB: ============== END OF LOAD BALANCING =============== 5236.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5236.22 PRESSURE: 1752400 -34.0661 -71.0857 131.506 -71.0853 -75.7556 35.5564 131.505 35.5564 -485.185 GPRESSURE: 1752400 -35.0931 -73.8655 97.586 -214.877 -51.9515 -0.0263705 151.991 18.9932 -431.696 PRESSAVG: 1752400 -2.64147 16.3055 -10.6149 16.3056 -18.9257 -25.8087 -10.615 -25.8088 26.9308 GPRESSAVG: 1752400 -1.51802 17.6838 -12.208 17.1903 -20.2792 -25.1911 -12.6028 -26.8599 26.7451 TIMING: 1752400 CPU: 5232.97, 0.00304579/step Wall: 5232.97, 0.00304579/step, 2.74764 hours remaining, 206.714844 MB of memory in use. ENERGY: 1752400 741.8311 2076.9224 1941.8859 109.3568 -205851.3823 17313.8948 0.0000 0.0000 34075.3055 -149592.1857 297.5881 -183667.4912 -149486.6663 298.6082 -198.3355 -172.9136 556949.5424 1.7879 1.6493 PRESSURE: 1752600 45.4004 156.134 2.36634 156.133 -14.1941 -0.760305 2.36568 -0.759967 -42.1143 GPRESSURE: 1752600 94.5576 68.2523 -42.3749 123.589 48.2213 84.243 12.3219 -50.2156 -77.549 PRESSAVG: 1752600 -20.0513 7.52404 -40.1976 7.52402 17.7822 -19.3326 -40.1976 -19.3325 37.9237 GPRESSAVG: 1752600 -20.7574 7.45637 -38.6901 6.52913 19.0919 -19.7827 -40.6389 -19.647 36.9652 TIMING: 1752600 CPU: 5233.57, 0.00297704/step Wall: 5233.57, 0.00297704/step, 2.68546 hours remaining, 206.914062 MB of memory in use. ENERGY: 1752600 724.9852 2082.7610 1930.1788 115.7490 -206388.1170 17775.1069 0.0000 0.0000 34023.1405 -149736.1957 297.1325 -183759.3362 -149639.0006 297.8036 -3.6360 21.7433 555868.4777 11.8849 11.7666 PRESSURE: 1752800 -115.038 292.567 -37.9763 292.567 22.1685 -4.39139 -37.976 -4.39163 35.5219 GPRESSURE: 1752800 -53.8351 282.672 -13.3516 353.936 56.9292 -78.6325 40.6355 94.7686 56.2888 PRESSAVG: 1752800 -75.6458 56.9032 31.6526 56.9031 46.455 -11.39 31.6526 -11.3901 -2.08823 GPRESSAVG: 1752800 -75.9858 54.1491 32.4445 60.7938 45.8406 -11.5687 33.5718 -9.09705 -1.00611 TIMING: 1752800 CPU: 5234.16, 0.00297272/step Wall: 5234.16, 0.00297272/step, 2.68139 hours remaining, 206.914062 MB of memory in use. ENERGY: 1752800 706.9039 2075.9886 1935.8352 111.8011 -205953.5181 17596.8350 0.0000 0.0000 34026.0475 -149500.1068 297.1579 -183526.1543 -149400.9396 298.4872 -19.1157 19.7943 555365.2323 -10.4263 -10.3838 PRESSURE: 1753000 60.0056 129.795 85.3322 129.795 73.9161 65.7903 85.3322 65.7918 16.6563 GPRESSURE: 1753000 141.18 73.929 50.235 113.785 93.3094 58.7699 -15.8935 45.6409 9.49883 PRESSAVG: 1753000 15.7917 -19.6569 -0.112152 -19.657 34.2186 -24.2786 -0.112105 -24.2787 -35.1802 GPRESSAVG: 1753000 16.7497 -16.8421 -1.50716 -23.0315 34.0147 -23.2983 1.22894 -25.8333 -36.5635 TIMING: 1753000 CPU: 5234.76, 0.00296276/step Wall: 5234.76, 0.00296276/step, 2.67225 hours remaining, 206.914062 MB of memory in use. ENERGY: 1753000 734.4610 2091.6459 1910.9585 106.5540 -206486.8658 17882.5509 0.0000 0.0000 34255.1239 -149505.5716 299.1585 -183760.6956 -149406.1816 298.2196 50.1927 81.3293 556975.7811 4.9433 4.7336 PRESSURE: 1753200 36.7024 -131.876 -243.884 -131.878 134.972 42.465 -243.884 42.464 -167.107 GPRESSURE: 1753200 42.3308 -166.422 -278.692 -125.371 150.468 99.7127 -217.368 63.9769 -90.63 PRESSAVG: 1753200 -15.7433 -31.1466 -45.8425 -31.1467 33.8753 -0.621695 -45.8425 -0.621641 -4.92658 GPRESSAVG: 1753200 -16.3456 -31.1662 -47.3183 -31.6076 33.441 -1.68542 -47.6254 0.272373 -3.53605 TIMING: 1753200 CPU: 5235.35, 0.00297843/step Wall: 5235.35, 0.00297843/step, 2.68621 hours remaining, 206.914062 MB of memory in use. ENERGY: 1753200 772.2219 2047.4290 1928.9845 113.5250 -206411.0114 17883.1887 0.0000 0.0000 34115.7907 -149549.8715 297.9417 -183665.6622 -149450.4369 297.9910 1.5225 34.0562 556692.4816 4.4018 4.5198 PRESSURE: 1753400 -290.455 9.0315 107.423 9.03048 -298.911 9.46544 107.423 9.46537 -26.0253 GPRESSURE: 1753400 -249.417 -24.5192 33.1041 18.0413 -240.171 18.3227 148.92 -44.7657 -21.0222 PRESSAVG: 1753400 -20.0179 -52.6083 12.5065 -52.6083 -33.83 24.2875 12.5066 24.2874 7.2154 GPRESSAVG: 1753400 -20.3965 -55.3075 12.3336 -50.3846 -32.6522 24.9453 12.5316 22.7878 6.64902 TIMING: 1753400 CPU: 5235.95, 0.00297329/step Wall: 5235.95, 0.00297329/step, 2.68141 hours remaining, 206.914062 MB of memory in use. ENERGY: 1753400 759.8434 2105.1704 1936.0631 105.4412 -206118.5624 17527.8109 0.0000 0.0000 34237.2270 -149447.0064 299.0022 -183684.2335 -149347.8239 298.5949 -205.1305 -170.2034 556348.7402 -15.5442 -15.4666 PRESSURE: 1753600 168.719 -96.2753 128.491 -96.2753 167.736 65.5737 128.492 65.5742 -318.024 GPRESSURE: 1753600 217.86 -89.4712 130.796 -99.964 187.819 1.53658 138.591 130.805 -290.911 PRESSAVG: 1753600 25.4008 11.8512 51.9866 11.8512 -47.9717 -25.2061 51.9867 -25.206 42.3975 GPRESSAVG: 1753600 25.5871 12.4784 52.2755 12.059 -48.8814 -24.7211 51.7691 -25.5633 43.1711 TIMING: 1753600 CPU: 5236.54, 0.00297197/step Wall: 5236.54, 0.00297197/step, 2.68005 hours remaining, 206.914062 MB of memory in use. ENERGY: 1753600 823.7109 2102.9480 1943.2635 118.6752 -206479.2747 17919.2578 0.0000 0.0000 33868.2429 -149703.1764 295.7798 -183571.4193 -149614.6030 298.6781 6.1440 38.2558 555896.1161 6.6089 6.6256 PRESSURE: 1753800 -116.08 82.2512 54.7154 82.2513 26.4141 -34.762 54.7158 -34.7625 -177.324 GPRESSURE: 1753800 -68.1125 86.9139 64.9566 31.4685 -5.93969 -129.209 159.588 14.0045 -100.77 PRESSAVG: 1753800 -0.585472 -44.1472 39.3927 -44.1472 -13.9435 -76.75 39.3927 -76.7501 -29.6386 GPRESSAVG: 1753800 -0.727879 -45.5308 40.8871 -43.0075 -13.2389 -76.1503 38.2867 -75.1921 -30.1359 TIMING: 1753800 CPU: 5237.13, 0.00296537/step Wall: 5237.13, 0.00296537/step, 2.67394 hours remaining, 206.914062 MB of memory in use. ENERGY: 1753800 745.5813 2066.6107 1933.0903 122.7536 -206373.5482 17762.2692 0.0000 0.0000 34155.6063 -149587.6368 298.2894 -183743.2431 -149492.5414 298.2507 -88.9966 -58.2740 558270.3728 -14.7225 -14.7009 PRESSURE: 1754000 -239.823 51.9324 -183.864 51.9332 -401.309 -67.1076 -183.865 -67.1089 -182.796 GPRESSURE: 1754000 -236.498 -12.8514 -198.174 66.0449 -329.913 -43.0346 -159.052 -84.8129 -162.726 PRESSAVG: 1754000 22.4191 23.8764 11.4794 23.8765 38.9702 -25.1532 11.4794 -25.1532 -22.4991 GPRESSAVG: 1754000 21.8365 23.7474 12.4362 22.8661 39.2606 -26.8781 10.5308 -23.362 -21.5083 TIMING: 1754000 CPU: 5237.73, 0.00296661/step Wall: 5237.73, 0.00296661/step, 2.67489 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1754000 733.2066 2089.4639 1940.8086 109.6405 -205809.2643 17543.1684 0.0000 0.0000 33935.2672 -149457.7091 296.3651 -183392.9762 -149366.2267 298.4010 -274.6428 -243.0458 558401.1086 12.9634 13.1963 PRESSURE: 1754200 -163.473 92.2971 21.8823 92.2972 -57.4247 218.344 21.8817 218.343 -182.395 GPRESSURE: 1754200 -105.408 118.505 37.885 106.489 -17.0838 160.746 -23.7974 265.691 -183.042 PRESSAVG: 1754200 8.9232 36.5227 -26.1456 36.5228 -50.5399 29.6667 -26.1456 29.6667 7.30906 GPRESSAVG: 1754200 8.74632 37.7979 -26.9231 36.8373 -50.2979 31.415 -24.8665 29.1313 7.82722 TIMING: 1754200 CPU: 5238.32, 0.00295391/step Wall: 5238.32, 0.00295391/step, 2.66328 hours remaining, 206.914062 MB of memory in use. ENERGY: 1754200 733.6203 2062.9174 1942.3708 108.9792 -206209.5016 17737.0042 0.0000 0.0000 34099.7308 -149524.8789 297.8014 -183624.6097 -149432.3230 298.2424 -134.4311 -101.8446 556738.4352 -11.4359 -11.2415 PRESSURE: 1754400 8.89651 166.525 -132.899 166.525 -181.998 120.144 -132.898 120.143 56.0055 GPRESSURE: 1754400 72.2817 226.2 -172.728 60.6364 -152.481 119.648 -205.211 117.01 62.6503 PRESSAVG: 1754400 58.6212 86.7053 3.18316 86.7053 -1.81798 14.8336 3.18314 14.8335 -30.8226 GPRESSAVG: 1754400 59.5087 87.1615 3.94652 85.8134 -2.28537 13.4799 1.41943 14.7139 -31.1909 TIMING: 1754400 CPU: 5238.91, 0.00295023/step Wall: 5238.91, 0.00295023/step, 2.6598 hours remaining, 206.914062 MB of memory in use. ENERGY: 1754400 743.9843 2061.1655 1958.1609 120.2269 -206298.6098 17829.7621 0.0000 0.0000 34070.1873 -149515.1227 297.5434 -183585.3101 -149417.2208 298.5386 -39.0320 -5.8497 556564.5606 8.6602 8.6775 PRESSURE: 1754600 32.2051 -134.354 0.00774955 -134.354 -169.22 -36.2013 0.00970259 -36.2002 -89.2081 GPRESSURE: 1754600 63.6073 -58.9973 -60.4856 -146.844 -121.619 -106.167 -63.1264 -46.1971 -73.5504 PRESSAVG: 1754600 67.733 4.99263 -8.59694 4.99269 -106.171 1.94744 -8.59697 1.94732 26.4808 GPRESSAVG: 1754600 68.0566 4.96371 -8.40095 5.96133 -106.286 0.502841 -8.34995 1.17958 26.1246 TIMING: 1754600 CPU: 5239.5, 0.00295987/step Wall: 5239.5, 0.00295987/step, 2.66832 hours remaining, 206.914062 MB of memory in use. ENERGY: 1754600 743.6382 2096.2832 1930.4286 111.8133 -206359.7567 17681.3338 0.0000 0.0000 34187.3938 -149608.8658 298.5670 -183796.2596 -149513.3299 298.7093 -75.4078 -43.8539 557005.1874 -3.9857 -4.0348 PRESSURE: 1754800 -283.386 -29.006 -89.843 -29.0059 -91.1418 -61.1161 -89.8428 -61.1167 -153.618 GPRESSURE: 1754800 -263.173 46.4304 -114.924 -26.4974 -54.4233 -12.3183 -83.0385 -34.6374 -115.123 PRESSAVG: 1754800 -6.82546 11.2128 -18.0389 11.2128 -11.8043 33.0371 -18.0389 33.0371 5.58855 GPRESSAVG: 1754800 -7.16013 12.343 -21.5082 9.88473 -12.3729 34.4261 -16.7893 31.3846 6.54686 TIMING: 1754800 CPU: 5240.09, 0.00296085/step Wall: 5240.09, 0.00296085/step, 2.66904 hours remaining, 206.914062 MB of memory in use. ENERGY: 1754800 737.6520 2098.4732 1916.4595 105.1533 -205941.4188 17584.1188 0.0000 0.0000 33871.4092 -149628.1527 295.8074 -183499.5619 -149539.4953 297.6697 -176.0486 -144.2397 557611.9916 -4.3471 -4.3287 PRESSURE: 1755000 -99.005 -3.82662 1.53046 -3.82708 190.762 83.7273 1.52955 83.7281 25.4162 GPRESSURE: 1755000 -24.7872 -46.5984 21.1475 54.3185 219.516 61.286 -42.4628 104.694 13.292 PRESSAVG: 1755000 14.5087 42.7872 -19.6131 42.7872 112.003 24.7982 -19.6131 24.7982 -49.8543 GPRESSAVG: 1755000 13.792 42.0621 -19.2207 42.118 111.972 23.1143 -18.668 26.0292 -49.0139 TIMING: 1755000 CPU: 5240.69, 0.0029762/step Wall: 5240.69, 0.0029762/step, 2.68271 hours remaining, 206.914062 MB of memory in use. ENERGY: 1755000 793.9563 2027.2766 1904.8164 103.2236 -206742.7436 18066.5138 0.0000 0.0000 34325.1909 -149521.7660 299.7704 -183846.9569 -149425.5136 297.9170 39.0576 69.3402 555567.1848 25.5526 25.5832 PRESSURE: 1755200 199.556 -143.969 -71.3654 -143.969 -229.624 -33.8288 -71.3644 -33.8299 -116.845 GPRESSURE: 1755200 232.723 -135.692 -81.4926 -135.673 -155.617 -29.115 93.192 -14.2529 -134.684 PRESSAVG: 1755200 24.256 -29.7728 -28.9739 -29.7728 21.9243 18.86 -28.9739 18.86 -6.74655 GPRESSAVG: 1755200 25.199 -29.8195 -27.072 -29.424 22.1297 19.2074 -32.3246 20.0008 -7.73729 TIMING: 1755200 CPU: 5241.28, 0.00297464/step Wall: 5241.28, 0.00297464/step, 2.68114 hours remaining, 206.914062 MB of memory in use. ENERGY: 1755200 746.0435 2097.9339 1921.7109 112.9374 -206236.5847 17863.3448 0.0000 0.0000 34045.3459 -149449.2682 297.3265 -183494.6141 -149352.6248 297.4771 -48.9707 -19.1926 557036.0719 13.1446 13.1971 PRESSURE: 1755400 -158.09 104.901 -148.098 104.902 -140.041 -56.6199 -148.098 -56.6199 248.385 GPRESSURE: 1755400 -123.194 29.8803 -215.783 105.18 -69.7652 -64.469 -134.86 -97.0823 234.314 PRESSAVG: 1755400 45.4816 -22.7693 9.22302 -22.7693 -18.4084 -55.7618 9.22301 -55.7618 -62.5656 GPRESSAVG: 1755400 45.3198 -23.7729 8.37998 -21.1064 -17.7258 -55.9574 11.8977 -55.1727 -62.7687 TIMING: 1755400 CPU: 5241.87, 0.00296031/step Wall: 5241.87, 0.00296031/step, 2.66806 hours remaining, 206.914062 MB of memory in use. ENERGY: 1755400 723.6659 2117.4059 1932.9668 108.1854 -206116.7699 17648.5846 0.0000 0.0000 33884.9402 -149701.0210 295.9256 -183585.9612 -149601.9060 297.5167 -16.5819 13.7851 555561.6964 -11.8308 -11.7249 PRESSURE: 1755600 100.742 28.492 28.6799 28.4924 70.6652 2.06405 28.6805 2.06668 -71.8979 GPRESSURE: 1755600 83.4138 39.4449 164.863 113.281 163.584 33.0753 -111.424 -4.88602 -57.0246 PRESSAVG: 1755600 49.5468 0.169487 -28.5662 0.169511 -21.7211 -25.7598 -28.5662 -25.7597 -34.5284 GPRESSAVG: 1755600 49.5293 1.36266 -28.4679 -1.60382 -20.0761 -25.5533 -30.5768 -25.6807 -35.9463 TIMING: 1755600 CPU: 5242.47, 0.00298345/step Wall: 5242.47, 0.00298345/step, 2.68875 hours remaining, 206.914062 MB of memory in use. ENERGY: 1755600 682.5849 2109.5476 1922.3858 125.9041 -206391.2461 17735.2128 0.0000 0.0000 34001.5658 -149814.0450 296.9441 -183815.6109 -149722.2608 297.8524 33.1699 63.3245 555524.5432 -2.2343 -2.1644 PRESSURE: 1755800 1.73181 179.812 -80.242 179.812 -82.6746 -30.7441 -80.2417 -30.7444 -112.082 GPRESSURE: 1755800 1.01949 92.4335 -38.5577 210.342 -38.8623 52.7535 -157.689 -24.0717 -57.6517 PRESSAVG: 1755800 -27.4275 -3.033 2.29133 -3.03294 41.8756 -30.7712 2.29134 -30.7713 -30.0086 GPRESSAVG: 1755800 -28.182 -2.55159 4.68645 -2.5734 41.1947 -29.0239 3.58479 -31.9423 -27.9413 TIMING: 1755800 CPU: 5243.07, 0.0029886/step Wall: 5243.07, 0.0029886/step, 2.69323 hours remaining, 206.914062 MB of memory in use. ENERGY: 1755800 747.3750 2101.5030 1932.9119 122.3074 -206755.8935 17982.0557 0.0000 0.0000 34064.9400 -149804.8005 297.4976 -183869.7405 -149707.1574 297.3464 -64.3415 -31.8315 555817.1360 -5.1868 -4.9762 PRESSURE: 1756000 -286.479 96.7212 -51.1066 96.7197 -90.2417 -103.15 -51.107 -103.151 -156.685 GPRESSURE: 1756000 -247.303 103.58 60.961 103.398 -60.8394 -167.406 -80.6975 -79.2918 -125.764 PRESSAVG: 1756000 -41.0356 19.6474 -5.68077 19.6475 3.54038 -31.4858 -5.68082 -31.4858 22.8084 GPRESSAVG: 1756000 -40.193 19.2497 -5.7416 19.3545 1.91987 -33.7442 -6.49456 -30.8373 23.2344 TIMING: 1756000 CPU: 5243.67, 0.0030015/step Wall: 5243.67, 0.0030015/step, 2.70468 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1756000 745.5573 2069.0228 1920.6533 106.5998 -206247.9500 17568.7757 0.0000 0.0000 34144.0632 -149693.2780 298.1886 -183837.3412 -149607.1312 298.0544 -177.8021 -144.6357 557035.1604 -4.8956 -5.0129 PRESSURE: 1756200 -27.7419 219.363 -73.2374 219.363 -108.468 -78.4575 -73.2368 -78.4561 -79.6005 GPRESSURE: 1756200 3.08553 196.598 -56.6949 254.598 -94.5163 -111.906 -73.7847 -10.3806 -41.6515 PRESSAVG: 1756200 -37.3391 -1.82708 -11.956 -1.82702 47.7644 -14.7721 -11.9558 -14.7721 54.8838 GPRESSAVG: 1756200 -37.3067 -1.67661 -13.9056 -2.49181 49.0611 -15.2708 -9.43468 -13.946 52.8257 TIMING: 1756200 CPU: 5244.27, 0.00301059/step Wall: 5244.27, 0.00301059/step, 2.71271 hours remaining, 206.914062 MB of memory in use. ENERGY: 1756200 733.8843 2103.6029 1890.9743 101.7045 -206335.2040 17706.3394 0.0000 0.0000 34057.7429 -149740.9558 297.4347 -183798.6987 -149638.7308 298.5352 -71.9367 -44.3607 556898.0346 21.7697 21.5267 LDB: ============= START OF LOAD BALANCING ============== 5247.82 LDB: ============== END OF LOAD BALANCING =============== 5247.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5247.83 LDB: ============= START OF LOAD BALANCING ============== 5248.13 LDB: Largest compute 4773 load 0.028295 is 23.9% of average load 0.118244 LDB: Average compute 0.001725 is 1.5% of average load 0.118244 LDB: TIME 5248.13 LOAD: AVG 0.118244 MAX 0.211817 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.684 MB LDB: TIME 5248.13 LOAD: AVG 0.118244 MAX 0.211817 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.684 MB LDB: TIME 5248.13 LOAD: AVG 0.118244 MAX 0.211817 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.684 MB LDB: ============== END OF LOAD BALANCING =============== 5248.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5248.13 PRESSURE: 1756400 -49.2243 -34.3408 55.0998 -34.3411 -165.168 -146.791 55.0994 -146.79 -149.452 GPRESSURE: 1756400 18.2662 -66.214 -11.4323 -27.9933 -186.783 -161.517 62.3532 -100.584 -96.0316 PRESSAVG: 1756400 43.4242 -11.5789 4.12491 -11.5789 2.07269 -2.57302 4.12485 -2.57301 -27.4035 GPRESSAVG: 1756400 43.2959 -13.7618 3.23187 -9.31962 1.5667 -1.42612 3.98484 -2.37728 -26.5339 TIMING: 1756400 CPU: 5244.89, 0.00307368/step Wall: 5244.89, 0.00307368/step, 2.76939 hours remaining, 206.714844 MB of memory in use. ENERGY: 1756400 732.6516 2119.9686 1925.6244 109.6544 -206487.6313 17704.0377 0.0000 0.0000 34247.1797 -149648.5148 299.0891 -183895.6945 -149547.9915 297.8944 -121.2814 -88.1828 557580.4890 6.0311 6.1096 PRESSURE: 1756600 131.962 -27.6594 -29.8358 -27.66 202.351 116.865 -29.8352 116.866 54.7332 GPRESSURE: 1756600 157.115 -45.5117 12.7768 -70.3216 264.766 118.136 -148.665 158.261 59.2623 PRESSAVG: 1756600 8.09985 15.0787 -1.76392 15.0787 9.63608 52.6497 -1.7639 52.6496 -9.05501 GPRESSAVG: 1756600 7.31459 14.7169 0.575244 14.778 10.4273 52.7667 -4.44218 52.674 -8.88161 TIMING: 1756600 CPU: 5245.48, 0.00298855/step Wall: 5245.48, 0.00298855/step, 2.69252 hours remaining, 206.714844 MB of memory in use. ENERGY: 1756600 748.0883 2105.7441 1913.0113 119.2905 -206895.3948 18259.8316 0.0000 0.0000 33986.1798 -149763.2493 296.8098 -183749.4291 -149670.0453 297.9827 129.6819 160.3809 557067.0140 2.8936 2.9534 PRESSURE: 1756800 -44.6691 -96.3467 -199.759 -96.3474 73.0132 270.47 -199.76 270.468 -48.8608 GPRESSURE: 1756800 -13.5895 -135.971 -210.431 -76.5693 103.476 285.524 -224.008 287.134 -26.4462 PRESSAVG: 1756800 18.5981 9.76783 -20.6586 9.76789 52.5131 76.2818 -20.6586 76.2817 -65.6745 GPRESSAVG: 1756800 19.2918 12.3854 -22.6705 9.96808 50.7552 76.5004 -17.5831 76.2693 -65.1915 TIMING: 1756800 CPU: 5246.08, 0.00299557/step Wall: 5246.08, 0.00299557/step, 2.69868 hours remaining, 206.714844 MB of memory in use. ENERGY: 1756800 730.5971 2056.9294 1930.1482 109.4597 -207097.0481 18148.1567 0.0000 0.0000 34327.0155 -149794.7416 299.7864 -184121.7571 -149693.5450 297.8756 -6.8389 21.1467 558903.7895 1.8122 1.6185 PRESSURE: 1757000 -120.205 36.1629 50.3133 36.1619 -161.413 114.826 50.3127 114.825 31.1601 GPRESSURE: 1757000 -24.208 73.2583 71.5265 44.1093 -142.683 99.3787 37.4564 59.0925 16.4779 PRESSAVG: 1757000 21.4077 -71.1438 16.5907 -71.1438 -28.32 74.9683 16.5908 74.9684 -29.4682 GPRESSAVG: 1757000 20.7408 -70.8279 19.5553 -72.3104 -28.0444 75.3535 13.7391 72.9242 -29.058 TIMING: 1757000 CPU: 5246.68, 0.0029694/step Wall: 5246.68, 0.0029694/step, 2.67494 hours remaining, 206.714844 MB of memory in use. ENERGY: 1757000 771.6522 2054.4976 1918.3193 105.5703 -206540.0069 17933.6031 0.0000 0.0000 34040.2071 -149716.1573 297.2816 -183756.3643 -149612.4676 298.2780 -83.4860 -50.1376 558916.7812 -12.1268 -12.1205 PRESSURE: 1757200 -67.1923 -7.57373 -25.8048 -7.57417 102.65 -15.5794 -25.8042 -15.579 -25.7371 GPRESSURE: 1757200 2.05166 -44.5514 -76.8606 34.1321 72.4837 1.89034 13.0243 -38.6829 26.7973 PRESSAVG: 1757200 6.15936 -79.8679 2.22336 -79.8678 -14.6536 2.79295 2.22331 2.79293 -7.07974 GPRESSAVG: 1757200 6.70531 -78.9311 1.65006 -78.9599 -14.0454 -0.350367 4.26069 4.76498 -7.62139 TIMING: 1757200 CPU: 5247.27, 0.0029632/step Wall: 5247.27, 0.0029632/step, 2.66918 hours remaining, 206.714844 MB of memory in use. ENERGY: 1757200 707.1517 2088.1764 1924.5644 113.1222 -206136.5946 17599.6886 0.0000 0.0000 34151.2505 -149552.6408 298.2514 -183703.8913 -149458.7582 297.6928 3.2403 33.7775 557235.8453 -5.1913 -4.9872 PRESSURE: 1757400 109.973 51.4798 48.3874 51.4811 -38.2425 -133.413 48.3885 -133.414 210.633 GPRESSURE: 1757400 141.265 105.456 14.5602 -79.9954 -20.969 -9.77445 19.4632 -205.181 260.37 PRESSAVG: 1757400 6.82406 -41.8482 27.4731 -41.8482 25.4672 -20.3621 27.4732 -20.362 -13.7097 GPRESSAVG: 1757400 5.87116 -41.6443 28.8758 -43.4778 25.5965 -17.7946 23.5189 -21.4283 -13.2247 TIMING: 1757400 CPU: 5247.86, 0.00295484/step Wall: 5247.86, 0.00295484/step, 2.66149 hours remaining, 206.714844 MB of memory in use. ENERGY: 1757400 730.6685 2128.2311 1901.4443 111.2515 -206552.0551 17902.4402 0.0000 0.0000 34264.2972 -149513.7223 299.2386 -183778.0195 -149421.1508 298.7241 94.1213 126.8888 557036.1807 6.1938 6.0810 PRESSURE: 1757600 -6.99742 -324.25 55.5979 -324.25 60.2924 35.4302 55.598 35.4289 -109.808 GPRESSURE: 1757600 19.6223 -363.354 46.5486 -249.652 65.9051 56.9448 24.0546 19.7929 -45.7335 PRESSAVG: 1757600 121.294 -50.8741 -28.8461 -50.8741 -66.9561 47.9743 -28.8462 47.9743 -43.5793 GPRESSAVG: 1757600 122.003 -52.4938 -32.9735 -51.0065 -67.324 45.519 -25.6407 48.7163 -44.0674 TIMING: 1757600 CPU: 5248.45, 0.00296655/step Wall: 5248.45, 0.00296655/step, 2.67187 hours remaining, 206.714844 MB of memory in use. ENERGY: 1757600 727.6330 2123.0872 1925.6587 107.1866 -206122.9052 17633.4597 0.0000 0.0000 34147.7690 -149458.1111 298.2210 -183605.8801 -149359.1274 297.9882 -18.8376 13.2646 557468.4465 3.5862 3.5371 PRESSURE: 1757800 -128.243 20.8732 117.101 20.8713 -156.806 31.9559 117.102 31.9567 57.4296 GPRESSURE: 1757800 -135.035 26.0002 120.458 54.3446 -86.4634 -9.94869 84.0813 19.159 85.7439 PRESSAVG: 1757800 -31.402 -114.508 8.73497 -114.508 15.5324 8.22345 8.73495 8.22346 -22.8279 GPRESSAVG: 1757800 -31.2065 -115.227 10.4686 -114.084 15.1544 6.50102 5.93696 7.70791 -22.4687 TIMING: 1757800 CPU: 5249.04, 0.00295306/step Wall: 5249.04, 0.00295306/step, 2.65956 hours remaining, 206.714844 MB of memory in use. ENERGY: 1757800 729.7089 2062.2158 1927.2256 128.7881 -206327.5033 17748.5042 0.0000 0.0000 34110.9874 -149620.0732 297.8997 -183731.0606 -149526.2063 298.1550 -75.8731 -45.2515 557232.1863 -12.8992 -12.8403 PRESSURE: 1758000 65.2607 98.2575 39.7112 98.2579 -14.0133 165.072 39.7117 165.071 -253.717 GPRESSURE: 1758000 89.5555 148.032 21.3105 100.8 35.4971 205.445 24.3659 160.533 -226.236 PRESSAVG: 1758000 -15.7725 -4.97628 -17.2923 -4.97612 17.9067 96.9426 -17.2924 96.9425 -37.1029 GPRESSAVG: 1758000 -16.31 -5.23913 -16.9764 -4.60989 18.4468 99.9021 -15.0078 97.05 -38.0144 TIMING: 1758000 CPU: 5249.64, 0.00296452/step Wall: 5249.64, 0.00296452/step, 2.66971 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1758000 741.2334 2046.1824 1922.7654 124.7517 -206113.9074 17768.7112 0.0000 0.0000 34016.9130 -149493.3503 297.0782 -183510.2633 -149402.3401 297.1771 -67.4897 -33.7278 558366.2842 -11.6562 -11.9592 PRESSURE: 1758200 21.781 -214.028 -96.8915 -214.028 93.3057 -29.1451 -96.8932 -29.1448 -173.498 GPRESSURE: 1758200 104.119 -255.886 -71.1895 -177.777 99.2967 -74.6637 -140.496 6.50114 -163.623 PRESSAVG: 1758200 45.8352 -68.9791 32.6956 -68.9791 35.251 17.9579 32.6957 17.9579 -82.2604 GPRESSAVG: 1758200 46.6478 -69.6376 33.1064 -68.6428 34.3465 16.6114 31.5938 17.8263 -82.4438 TIMING: 1758200 CPU: 5250.23, 0.00295871/step Wall: 5250.23, 0.00295871/step, 2.66432 hours remaining, 206.714844 MB of memory in use. ENERGY: 1758200 713.6755 2041.7349 1964.0643 124.9234 -206468.6164 17900.8230 0.0000 0.0000 34436.0718 -149287.3235 300.7388 -183723.3954 -149197.4867 298.7467 -19.4703 13.2645 557606.0824 -0.3914 -0.4832 PRESSURE: 1758400 -121.196 -22.9282 33.1941 -22.9289 48.9132 -136.02 33.1943 -136.02 -110.716 GPRESSURE: 1758400 -112.082 -23.3859 29.1828 3.66978 90.5513 -211.256 -12.8818 -60.7339 -64.3105 PRESSAVG: 1758400 34.2247 -32.1541 -28.9274 -32.1541 -0.0825758 -25.8554 -28.9274 -25.8553 -49.1694 GPRESSAVG: 1758400 32.9692 -30.8927 -29.036 -30.8202 0.184486 -25.4088 -29.18 -24.9211 -48.7059 TIMING: 1758400 CPU: 5250.82, 0.00297392/step Wall: 5250.82, 0.00297392/step, 2.67785 hours remaining, 206.714844 MB of memory in use. ENERGY: 1758400 754.7346 2066.3173 1945.3703 106.1893 -205879.2670 17718.8155 0.0000 0.0000 34072.3093 -149215.5306 297.5620 -183287.8399 -149120.2827 298.8786 -60.9996 -28.6136 556941.4941 -5.0091 -5.1841 PRESSURE: 1758600 111.624 57.135 -170.619 57.1352 -240.156 -31.8283 -170.62 -31.8264 -358.245 GPRESSURE: 1758600 93.2275 37.8916 -154.506 115.151 -155.19 -67.5357 -148.831 4.9027 -333.188 PRESSAVG: 1758600 44.5265 -28.2461 2.65923 -28.2461 14.4435 -26.3085 2.65923 -26.3085 -46.5289 GPRESSAVG: 1758600 43.354 -30.6293 2.63534 -29.6955 14.8618 -23.9557 3.45022 -28.4248 -45.949 TIMING: 1758600 CPU: 5251.42, 0.00299686/step Wall: 5251.42, 0.00299686/step, 2.69834 hours remaining, 206.714844 MB of memory in use. ENERGY: 1758600 744.4144 2081.0072 1941.1433 118.4427 -205954.0570 17570.0890 0.0000 0.0000 34321.1870 -149177.7733 299.7355 -183498.9603 -149077.6237 299.3071 -162.2591 -131.7166 557418.1352 4.1470 4.0889 PRESSURE: 1758800 -306.171 165.329 -139.945 165.328 -256.666 -170.294 -139.944 -170.292 -191.118 GPRESSURE: 1758800 -305.689 132.272 -60.851 81.5086 -194.451 -124.763 -214.549 -143.694 -166.314 PRESSAVG: 1758800 44.5766 2.53985 -33.5921 2.53982 13.1339 -7.51645 -33.5921 -7.51634 -48.2183 GPRESSAVG: 1758800 45.4021 3.97021 -34.0912 4.28334 13.3223 -8.04806 -31.2807 -7.67417 -49.5903 TIMING: 1758800 CPU: 5252.02, 0.00298987/step Wall: 5252.02, 0.00298987/step, 2.69188 hours remaining, 206.714844 MB of memory in use. ENERGY: 1758800 713.6002 2088.2033 1925.8670 112.8620 -205976.5602 17428.9502 0.0000 0.0000 34432.0145 -149275.0630 300.7033 -183707.0774 -149178.0304 299.5332 -251.3185 -222.1514 558065.9229 3.1641 3.0447 PRESSURE: 1759000 -66.7849 32.1145 108.172 32.1151 -71.2693 -11.5324 108.172 -11.5328 -23.6632 GPRESSURE: 1759000 -12.4905 2.66779 170.967 -6.08656 -20.1636 31.2022 83.4013 -5.44378 -26.7598 PRESSAVG: 1759000 37.0405 40.5849 2.84519 40.5849 1.16295 -23.6549 2.84516 -23.6548 -2.08588 GPRESSAVG: 1759000 37.4655 39.4748 3.25952 39.9549 0.391533 -24.0508 1.68855 -21.0425 -2.38677 TIMING: 1759000 CPU: 5252.61, 0.00296225/step Wall: 5252.61, 0.00296225/step, 2.66685 hours remaining, 206.714844 MB of memory in use. ENERGY: 1759000 736.8816 2082.9484 1936.4457 112.6858 -205832.6338 17686.4162 0.0000 0.0000 33909.4566 -149367.7996 296.1397 -183277.2561 -149276.7911 298.5702 -53.9058 -19.8046 558081.4404 12.0392 11.8234 PRESSURE: 1759200 86.1437 -108.874 -7.80916 -108.873 -145.658 2.36171 -7.81072 2.36264 -167.64 GPRESSURE: 1759200 78.2786 -128.744 82.0892 -118.898 -89.2919 66.547 -19.5864 -15.8283 -106.763 PRESSAVG: 1759200 19.2953 14.0489 3.42819 14.049 -43.178 51.4995 3.42825 51.4995 12.0967 GPRESSAVG: 1759200 19.0679 15.5436 2.19274 13.8253 -42.1192 50.7527 3.43106 51.4798 11.764 TIMING: 1759200 CPU: 5253.2, 0.00295734/step Wall: 5253.2, 0.00295734/step, 2.66226 hours remaining, 206.714844 MB of memory in use. ENERGY: 1759200 765.0023 2031.1446 1935.0159 125.5760 -206353.0548 17867.0721 0.0000 0.0000 34147.5192 -149481.7248 298.2188 -183629.2439 -149379.6532 298.3963 -75.7180 -39.2588 558026.9057 -3.9287 -3.7624 PRESSURE: 1759400 -255.259 -8.32687 -166.449 -8.32755 -316.49 31.8376 -166.45 31.8403 -211.314 GPRESSURE: 1759400 -236.864 -55.5229 -132.865 -51.7038 -297.708 -13.3895 -145.063 77.9867 -157.705 PRESSAVG: 1759400 20.2762 18.5281 -12.769 18.5281 -32.4552 63.2613 -12.769 63.2613 23.1334 GPRESSAVG: 1759400 20.5901 18.5706 -10.3043 19.7464 -33.1001 61.8243 -12.3162 63.3356 23.566 TIMING: 1759400 CPU: 5253.79, 0.00295319/step Wall: 5253.79, 0.00295319/step, 2.65836 hours remaining, 206.714844 MB of memory in use. ENERGY: 1759400 738.3737 2054.0652 1950.8071 113.9097 -205661.4509 17286.8236 0.0000 0.0000 33841.3029 -149676.1686 295.5445 -183517.4715 -149584.7593 298.1452 -261.0210 -230.7589 557600.0022 3.6515 3.6853 PRESSURE: 1759600 -231.273 -124.145 107.457 -124.146 -372.225 -53.2073 107.457 -53.2069 -289.799 GPRESSURE: 1759600 -196.067 -109.466 10.5248 -67.2317 -360.201 -47.5837 145.023 -8.66051 -237.82 PRESSAVG: 1759600 -46.3329 -26.1004 -5.25318 -26.1004 -36.8062 -14.965 -5.25317 -14.965 52.566 GPRESSAVG: 1759600 -45.9231 -24.365 -6.68427 -28.2235 -37.4772 -13.2886 -6.10385 -16.1005 53.3233 TIMING: 1759600 CPU: 5254.4, 0.00301623/step Wall: 5254.4, 0.00301623/step, 2.71494 hours remaining, 206.714844 MB of memory in use. ENERGY: 1759600 776.3647 2046.0423 1957.3559 117.9704 -206165.0439 17509.8074 0.0000 0.0000 34130.5960 -149626.9072 298.0710 -183757.5032 -149532.3047 297.6641 -297.7656 -264.6960 557597.3879 -10.1910 -10.0257 PRESSURE: 1759800 -95.2253 -154.99 -160.252 -154.99 -45.3644 0.115567 -160.253 0.114489 28.6855 GPRESSURE: 1759800 -65.275 -172.046 -132.119 -124.023 -24.3332 30.9271 -138.122 3.53665 79.1784 PRESSAVG: 1759800 2.56242 -29.5565 -7.91661 -29.5566 -6.57415 64.4791 -7.91657 64.479 -11.9171 GPRESSAVG: 1759800 3.24945 -29.5669 -7.80967 -29.6072 -5.80711 64.8895 -7.15836 63.0537 -12.9619 TIMING: 1759800 CPU: 5255, 0.00300989/step Wall: 5255, 0.00300989/step, 2.70907 hours remaining, 206.714844 MB of memory in use. ENERGY: 1759800 711.8280 2054.4599 1958.8281 115.5140 -206261.2046 17690.2441 0.0000 0.0000 34238.9777 -149491.3527 299.0175 -183730.3304 -149400.4067 298.3532 -37.3014 -3.4766 557761.9812 -5.3096 -5.1732 PRESSURE: 1760000 262.899 -20.5356 131.34 -20.5356 -10.5249 158.645 131.34 158.645 164.01 GPRESSURE: 1760000 307.599 -29.3435 50.3611 31.3732 -3.3171 152.536 76.678 167.531 206.442 PRESSAVG: 1760000 64.499 5.55978 -3.44699 5.55978 -11.9039 62.3936 -3.44692 62.3936 -18.7697 GPRESSAVG: 1760000 65.2743 4.46252 -3.56816 5.53805 -12.477 62.358 -4.48177 61.6314 -18.9303 TIMING: 1760000 CPU: 5255.6, 0.002993/step Wall: 5255.6, 0.00299301/step, 2.6937 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1760000 746.4925 2102.9845 1927.2263 116.2240 -206421.8212 17897.6552 0.0000 0.0000 34076.5411 -149554.6977 297.5989 -183631.2387 -149455.9280 298.3946 138.7948 170.2414 555064.5278 11.2751 11.2890 PRESSURE: 1760200 -28.6693 -172.543 16.2066 -172.543 -57.1104 55.4218 16.2054 55.4237 100.609 GPRESSURE: 1760200 -8.93928 -125.642 53.9502 -123.722 3.83432 17.8916 17.1737 23.8848 116.038 PRESSAVG: 1760200 31.6439 -38.2902 31.2809 -38.2902 -85.0939 -14.4484 31.281 -14.4484 57.5623 GPRESSAVG: 1760200 30.272 -40.1236 32.5226 -35.5576 -83.3503 -15.4823 31.6518 -12.5943 57.1368 TIMING: 1760200 CPU: 5256.2, 0.00299699/step Wall: 5256.2, 0.00299699/step, 2.69713 hours remaining, 206.714844 MB of memory in use. ENERGY: 1760200 741.7738 2107.9452 1977.7147 113.9201 -206432.7851 17715.5318 0.0000 0.0000 34219.0492 -149556.8503 298.8435 -183775.8995 -149461.8120 298.0570 4.9430 36.9776 555679.3961 1.3708 1.3528 LDB: ============= START OF LOAD BALANCING ============== 5259.75 LDB: ============== END OF LOAD BALANCING =============== 5259.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5259.75 LDB: ============= START OF LOAD BALANCING ============== 5260.05 LDB: Largest compute 4773 load 0.027540 is 23.3% of average load 0.118196 LDB: Average compute 0.001725 is 1.5% of average load 0.118196 LDB: TIME 5260.05 LOAD: AVG 0.118196 MAX 0.2145 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 5260.05 LOAD: AVG 0.118196 MAX 0.2145 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.266 MB LDB: TIME 5260.05 LOAD: AVG 0.118196 MAX 0.2145 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.266 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5260.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5260.06 PRESSURE: 1760400 11.6526 58.0417 149.485 58.0396 150.694 -121.575 149.486 -121.576 150.355 GPRESSURE: 1760400 37.9312 9.24503 80.1056 22.3532 195.116 38.4142 200.518 -209.633 200.295 PRESSAVG: 1760400 -34.3667 -17.3575 70.526 -17.3574 -31.2522 36.6189 70.526 36.6189 51.3469 GPRESSAVG: 1760400 -33.902 -16.4575 68.9143 -19.0844 -32.4565 35.751 70.8911 35.8318 51.9169 TIMING: 1760400 CPU: 5256.81, 0.00306161/step Wall: 5256.81, 0.00306161/step, 2.75511 hours remaining, 206.714844 MB of memory in use. ENERGY: 1760400 740.6255 2045.5873 1932.0003 108.6766 -206692.9273 18103.4832 0.0000 0.0000 34367.7895 -149394.7650 300.1425 -183762.5544 -149305.8170 298.3733 104.2339 144.4476 555985.5033 -4.7573 -4.8139 PRESSURE: 1760600 -226.683 -41.2903 -105.956 -41.289 -127.302 75.9102 -105.954 75.9103 -15.101 GPRESSURE: 1760600 -186.155 -44.9185 -79.4707 -54.1416 -94.3627 154.252 -128.014 85.848 13.3994 PRESSAVG: 1760600 -34.5341 20.415 67.5334 20.4151 -41.1246 -12.2984 67.5334 -12.2984 76.3102 GPRESSAVG: 1760600 -34.7065 20.1438 69.0739 20.7532 -40.9231 -9.55175 66.5473 -12.4151 77.0636 TIMING: 1760600 CPU: 5257.41, 0.00299207/step Wall: 5257.41, 0.00299207/step, 2.69236 hours remaining, 206.914062 MB of memory in use. ENERGY: 1760600 776.7939 2106.1737 1915.7783 98.0375 -206074.4228 17711.0189 0.0000 0.0000 34046.3605 -149420.2600 297.3353 -183466.6204 -149327.1512 298.1426 -123.0285 -89.0393 557110.3354 0.2172 0.4780 PRESSURE: 1760800 -192.093 6.19659 119.214 6.19645 -69.4558 -49.7258 119.213 -49.7261 -18.4576 GPRESSURE: 1760800 -165.035 72.3173 89.3045 -38.6859 -56.7266 -81.8179 123.653 6.39529 32.1255 PRESSAVG: 1760800 28.0078 10.0424 -1.45701 10.0424 12.6452 -21.4518 -1.45697 -21.4519 -21.0482 GPRESSAVG: 1760800 27.7916 11.1606 -0.721096 8.83422 13.2797 -21.894 -2.76567 -21.2873 -21.3814 TIMING: 1760800 CPU: 5258, 0.0029805/step Wall: 5258, 0.0029805/step, 2.68179 hours remaining, 206.914062 MB of memory in use. ENERGY: 1760800 750.1511 2115.6517 1937.8004 111.1003 -206237.3133 17612.4730 0.0000 0.0000 34399.8507 -149310.2861 300.4225 -183710.1367 -149211.7381 298.8196 -93.3356 -63.2120 556377.6872 6.5349 6.5633 PRESSURE: 1761000 277.168 -15.8415 -24.972 -15.8429 -250.36 62.1559 -24.972 62.1555 59.8775 GPRESSURE: 1761000 288.78 -90.1481 22.1473 63.4706 -180.11 74.1154 -62.0525 57.2523 80.7991 PRESSAVG: 1761000 -10.7616 -18.9203 21.0011 -18.9203 40.311 7.27006 21.0011 7.27006 -55.5139 GPRESSAVG: 1761000 -11.2745 -20.6359 19.8151 -17.8216 39.4399 6.601 22.4053 8.72054 -53.7613 TIMING: 1761000 CPU: 5258.6, 0.00298374/step Wall: 5258.6, 0.00298374/step, 2.68454 hours remaining, 206.914062 MB of memory in use. ENERGY: 1761000 743.1063 2073.7006 1929.7672 119.5378 -206341.4245 17875.0420 0.0000 0.0000 34175.9200 -149424.3506 298.4668 -183600.2706 -149335.9755 299.5375 28.8949 63.1563 556956.3391 -8.6548 -8.5320 PRESSURE: 1761200 -272.603 36.649 88.6871 36.6479 -140.61 65.8616 88.6859 65.8602 90.9517 GPRESSURE: 1761200 -190.298 19.5551 -19.8789 94.4077 -105.78 84.3952 98.8441 67.5774 77.9599 PRESSAVG: 1761200 -8.31602 50.6657 65.8113 50.6658 25.5752 -8.00755 65.8113 -8.00767 -11.1307 GPRESSAVG: 1761200 -7.81032 51.8331 66.7427 50.8109 25.2877 -8.74772 65.8877 -8.87385 -11.5638 TIMING: 1761200 CPU: 5259.19, 0.00295667/step Wall: 5259.19, 0.00295667/step, 2.66002 hours remaining, 206.914062 MB of memory in use. ENERGY: 1761200 740.5211 2063.0633 1937.3145 96.6951 -206285.2560 17806.0386 0.0000 0.0000 34242.8477 -149398.7758 299.0513 -183641.6235 -149308.5685 298.8974 -107.4206 -72.7059 557670.7331 2.0428 1.9712 PRESSURE: 1761400 427.819 -127.539 4.54358 -127.539 15.8903 -47.3909 4.5445 -47.3921 154.473 GPRESSURE: 1761400 405.455 -147.228 -3.26359 -148.996 100.341 3.80204 -9.20848 -53.7711 192.495 PRESSAVG: 1761400 9.39424 -15.1615 52.2775 -15.1615 -25.3407 47.8436 52.2775 47.8436 13.7364 GPRESSAVG: 1761400 8.7512 -14.5164 51.7997 -15.3717 -24.5742 48.7193 50.9885 46.8044 13.8091 TIMING: 1761400 CPU: 5259.79, 0.00297964/step Wall: 5259.79, 0.00297964/step, 2.68052 hours remaining, 206.914062 MB of memory in use. ENERGY: 1761400 728.3502 2135.0614 1905.0245 113.4224 -206990.3056 18319.4185 0.0000 0.0000 34308.8763 -149480.1524 299.6279 -183789.0286 -149393.8327 298.9131 199.3942 232.7639 557228.5285 -0.7367 -0.6713 PRESSURE: 1761600 98.575 -112.288 -60.6158 -112.289 209.373 166.848 -60.6171 166.85 157.66 GPRESSURE: 1761600 155.023 -83.0575 -24.992 -54.4052 194.072 64.3033 -77.4314 130.876 218.102 PRESSAVG: 1761600 -2.65275 6.01661 -3.34706 6.01659 7.05554 -25.5462 -3.34711 -25.5462 -1.97737 GPRESSAVG: 1761600 -2.79313 6.18458 -2.99322 6.58437 7.1571 -25.4348 -1.3956 -26.9484 -2.41227 TIMING: 1761600 CPU: 5260.39, 0.00298939/step Wall: 5260.39, 0.00298939/step, 2.68912 hours remaining, 206.914062 MB of memory in use. ENERGY: 1761600 732.1495 2133.7080 1965.3017 105.1289 -206470.5157 17954.3960 0.0000 0.0000 34101.3487 -149478.4828 297.8156 -183579.8316 -149384.7656 298.7005 155.2025 189.0656 556245.6085 0.8085 0.6506 PRESSURE: 1761800 -104.332 105.201 -189.625 105.2 -210.462 -11.3313 -189.626 -11.3314 -27.2762 GPRESSURE: 1761800 -179.219 121.193 -255.401 102.025 -77.6984 22.8681 -76.3126 -27.2228 16.3915 PRESSAVG: 1761800 -43.0291 30.8436 -16.4723 30.8436 61.7941 -34.802 -16.4723 -34.8021 -4.74106 GPRESSAVG: 1761800 -43.239 29.8956 -19.1651 30.5341 62.2643 -36.3529 -15.6929 -31.9845 -4.76286 TIMING: 1761800 CPU: 5260.99, 0.00303796/step Wall: 5260.99, 0.00303796/step, 2.73264 hours remaining, 206.914062 MB of memory in use. ENERGY: 1761800 764.4951 2099.0632 1947.6868 115.1557 -206102.4524 17591.8382 0.0000 0.0000 34265.7456 -149318.4678 299.2513 -183584.2135 -149215.8305 298.7786 -114.0235 -80.1754 557224.6963 4.6746 4.7541 PRESSURE: 1762000 -126.748 93.0005 66.7879 92.9996 -247.98 38.4892 66.7908 38.4881 -79.9998 GPRESSURE: 1762000 -81.7929 28.7948 92.6122 58.0214 -220.076 11.982 26.7521 62.1623 -69.9383 PRESSAVG: 1762000 0.943633 29.4723 3.68491 29.4723 -36.8386 -13.5741 3.68495 -13.574 38.1008 GPRESSAVG: 1762000 1.4915 30.5213 5.33082 28.3342 -37.4449 -13.0818 1.30036 -15.434 37.8707 TIMING: 1762000 CPU: 5261.6, 0.00303213/step Wall: 5261.6, 0.00303213/step, 2.72724 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1762000 753.3642 2082.1235 1937.7384 107.3159 -206528.1500 17832.8499 0.0000 0.0000 34434.7165 -149380.0416 300.7269 -183814.7581 -149280.0382 299.5082 -151.5761 -123.9358 558488.4419 0.7353 0.6391 PRESSURE: 1762200 95.4412 129.909 164.356 129.908 -178.717 -29.8715 164.355 -29.8721 -363.375 GPRESSURE: 1762200 111.497 82.7317 285.87 169.005 -119.622 57.7987 9.32076 -58.1366 -332.27 PRESSAVG: 1762200 46.7022 62.5633 17.4546 62.5633 -10.4115 46.3304 17.4547 46.3304 -26.665 GPRESSAVG: 1762200 47.7951 63.2424 20.1454 64.0756 -11.2361 46.2013 18.1606 48.9756 -26.4953 TIMING: 1762200 CPU: 5262.2, 0.00298097/step Wall: 5262.2, 0.00298097/step, 2.68105 hours remaining, 206.914062 MB of memory in use. ENERGY: 1762200 765.3670 2121.0284 1936.4128 107.0476 -206114.8428 17554.4815 0.0000 0.0000 34271.6232 -149358.8823 299.3026 -183630.5055 -149265.2882 299.3691 -148.8835 -113.4649 557043.2780 3.2086 3.3546 PRESSURE: 1762400 -58.9174 0.326598 -17.7462 0.326617 72.9946 -68.964 -17.7459 -68.9645 -120.896 GPRESSURE: 1762400 -2.69565 -32.1546 -2.11153 68.2911 105.231 -121.509 -47.0063 -173.07 -106.394 PRESSAVG: 1762400 71.9215 102.17 -28.7086 102.17 44.5546 2.68803 -28.7086 2.68811 -76.4975 GPRESSAVG: 1762400 71.6406 101.361 -31.119 102.32 45.418 3.00378 -27.7963 0.58809 -77.4243 TIMING: 1762400 CPU: 5262.8, 0.00299293/step Wall: 5262.8, 0.00299293/step, 2.69164 hours remaining, 206.914062 MB of memory in use. ENERGY: 1762400 744.2062 2085.7720 1946.2513 110.0362 -206083.4583 17573.5640 0.0000 0.0000 34285.1316 -149338.4971 299.4206 -183623.6287 -149236.3392 299.0668 -35.6061 -1.2861 555158.2697 13.3262 13.2114 PRESSURE: 1762600 -334.453 6.98369 -12.2385 6.98426 -71.5888 -13.2709 -12.2377 -13.2704 -184.289 GPRESSURE: 1762600 -291.998 13.7723 -40.9564 -18.0761 -51.328 -8.82591 -84.5616 112.242 -152.004 PRESSAVG: 1762600 18.3356 5.49082 4.25599 5.49085 8.36845 24.8391 4.25607 24.8392 -24.5026 GPRESSAVG: 1762600 18.2146 4.55772 6.13254 6.55458 8.18721 24.6906 1.83044 26.958 -24.1745 TIMING: 1762600 CPU: 5263.39, 0.00298624/step Wall: 5263.39, 0.00298624/step, 2.68546 hours remaining, 206.914062 MB of memory in use. ENERGY: 1762600 783.8912 2111.2450 1935.9691 117.0954 -205881.7103 17349.6334 0.0000 0.0000 34219.6980 -149364.1783 298.8491 -183583.8763 -149273.1865 298.9478 -196.7768 -165.1101 557625.7334 0.7338 0.7424 PRESSURE: 1762800 -167.258 55.5262 158.862 55.5262 -145.096 -68.9302 158.862 -68.9295 204.437 GPRESSURE: 1762800 -112.707 122.001 186.897 48.6133 -68.1615 -21.8774 106.247 -41.0241 178.623 PRESSAVG: 1762800 -24.9372 1.34327 19.0504 1.34328 25.9544 -18.1672 19.0505 -18.1673 5.94239 GPRESSAVG: 1762800 -25.318 4.19589 17.3911 -1.34469 24.9018 -18.7955 20.8195 -20.1212 7.23066 TIMING: 1762800 CPU: 5263.98, 0.00295983/step Wall: 5263.98, 0.00295983/step, 2.66154 hours remaining, 206.914062 MB of memory in use. ENERGY: 1762800 735.4646 2103.9866 1925.7461 102.5948 -206366.5808 17736.9659 0.0000 0.0000 34287.3914 -149474.4314 299.4403 -183761.8228 -149371.4517 298.1491 -35.9722 -0.7484 556842.7629 2.3199 2.2715 PRESSURE: 1763000 -106.205 49.416 -98.0835 49.4164 29.3402 -78.2811 -98.0829 -78.2798 45.2712 GPRESSURE: 1763000 -64.9504 74.1555 -100.665 45.1401 70.6957 25.8311 -92.4108 -68.8159 56.7359 PRESSAVG: 1763000 -11.4594 43.0903 -2.19441 43.0902 31.8539 -20.7337 -2.19433 -20.7337 -48.5435 GPRESSAVG: 1763000 -11.1539 40.0669 0.318813 45.6674 31.4747 -20.8692 -3.5712 -19.9265 -47.96 TIMING: 1763000 CPU: 5264.59, 0.0030062/step Wall: 5264.59, 0.0030062/step, 2.70308 hours remaining, 206.914062 MB of memory in use. ENERGY: 1763000 744.5120 2154.3946 1942.4609 96.1444 -206462.0581 17930.0996 0.0000 0.0000 34232.4969 -149361.9497 298.9609 -183594.4466 -149272.7115 299.2103 -10.5312 20.8271 557976.3986 -9.3830 -9.2131 PRESSURE: 1763200 -38.6171 -22.3877 44.9497 -22.3895 83.4784 -114.521 44.9484 -114.52 139.352 GPRESSURE: 1763200 59.3177 -42.8721 104.458 25.1855 142.056 -126.098 4.36786 -155.579 90.2369 PRESSAVG: 1763200 -39.4269 -6.1432 49.8193 -6.14323 29.1221 -14.7114 49.8193 -14.7115 -23.139 GPRESSAVG: 1763200 -39.4977 -5.68302 47.1986 -7.58323 30.5529 -12.4878 51.2955 -15.329 -24.084 TIMING: 1763200 CPU: 5265.18, 0.00298262/step Wall: 5265.18, 0.00298262/step, 2.68171 hours remaining, 206.914062 MB of memory in use. ENERGY: 1763200 714.3429 2081.5065 1966.9654 115.9689 -206060.4261 17686.5127 0.0000 0.0000 34119.5777 -149375.5520 297.9748 -183495.1297 -149277.3450 299.2977 61.4046 97.2035 557165.1194 -11.1479 -11.0096 PRESSURE: 1763400 39.8354 -57.3606 -57.0958 -57.3608 -149.583 36.0042 -57.0948 36.003 204.333 GPRESSURE: 1763400 60.7615 17.7069 -56.6354 -95.3397 -90.4275 -88.8909 -84.3325 6.54811 227.599 PRESSAVG: 1763400 21.1243 -17.8266 -17.4667 -17.8267 12.8503 29.6072 -17.4667 29.6071 -21.7821 GPRESSAVG: 1763400 21.9731 -17.5186 -16.4575 -16.8766 11.9604 30.2831 -20.254 28.0712 -21.8883 TIMING: 1763400 CPU: 5265.78, 0.00299327/step Wall: 5265.78, 0.00299327/step, 2.69112 hours remaining, 206.914062 MB of memory in use. ENERGY: 1763400 756.1645 2072.3834 1958.3615 114.8623 -206366.6393 17758.9065 0.0000 0.0000 34326.8946 -149379.0665 299.7853 -183705.9612 -149275.8578 298.9374 31.5284 65.9778 556024.4008 4.0642 4.0151 PRESSURE: 1763600 -138.554 64.5207 -57.9027 64.5203 102.16 63.8982 -57.9034 63.8975 8.19493 GPRESSURE: 1763600 -69.4605 147.09 -152.843 77.6549 136.958 53.9431 3.41394 106.756 3.83964 PRESSAVG: 1763600 16.5313 17.3018 -29.0409 17.3018 58.115 0.964099 -29.0409 0.964155 -23.3697 GPRESSAVG: 1763600 15.2359 19.372 -28.5421 13.6319 58.9233 -0.939358 -27.1961 2.4039 -23.1763 TIMING: 1763600 CPU: 5266.38, 0.00300274/step Wall: 5266.38, 0.00300274/step, 2.69947 hours remaining, 206.914062 MB of memory in use. ENERGY: 1763600 754.8062 2116.2597 1916.2223 98.6530 -206198.5300 17928.5268 0.0000 0.0000 34271.6288 -149112.4331 299.3027 -183384.0619 -149016.6258 299.2695 -9.3997 23.7790 558789.4597 17.0922 16.9943 PRESSURE: 1763800 24.9025 102.397 -122.671 102.398 -162.13 -142.716 -122.671 -142.717 -44.0901 GPRESSURE: 1763800 119.3 58.3513 -165.47 112.314 -139.569 -173.525 -94.5292 -142.403 -59.7326 PRESSAVG: 1763800 -21.7143 35.6369 -7.85357 35.6369 -6.89073 9.56575 -7.85356 9.56579 13.763 GPRESSAVG: 1763800 -20.6758 35.7297 -10.824 36.2734 -7.26543 9.05159 -5.70553 11.1162 13.1299 TIMING: 1763800 CPU: 5266.98, 0.00297311/step Wall: 5266.98, 0.00297311/step, 2.67266 hours remaining, 206.914062 MB of memory in use. ENERGY: 1763800 764.7024 2110.3837 1957.4518 103.4507 -206200.8669 17831.7892 0.0000 0.0000 34210.9610 -149222.1282 298.7728 -183433.0891 -149131.6259 299.5067 -60.4391 -26.6673 558632.9240 -4.9474 -4.9371 PRESSURE: 1764000 64.4985 -162.534 -222.22 -162.536 -74.1221 -62.584 -222.22 -62.5823 -116.19 GPRESSURE: 1764000 79.6421 -122.677 -260.503 -192.172 -32.9919 -83.1587 -169.905 -127.182 -71.1461 PRESSAVG: 1764000 25.8813 -23.9226 -2.00136 -23.9226 18.624 1.77821 -2.00123 1.77829 17.1908 GPRESSAVG: 1764000 24.9257 -27.5932 -1.41989 -19.9279 17.7813 3.45976 -1.06933 1.1237 18.6725 TIMING: 1764000 CPU: 5267.57, 0.00298039/step Wall: 5267.57, 0.00298039/step, 2.67904 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1764000 762.7761 2143.8899 1977.2286 126.1828 -206172.5601 18008.7438 0.0000 0.0000 33813.0619 -149340.6770 295.2979 -183153.7388 -149244.7181 299.0548 -41.9379 -8.1653 559521.8493 20.5654 20.4598 PRESSURE: 1764200 38.9581 -35.0438 -192.28 -35.0434 252.813 1.90763 -192.28 1.90656 238.246 GPRESSURE: 1764200 73.1612 -15.0778 -238.054 18.2567 267.812 63.847 -177.058 42.2599 282.273 PRESSAVG: 1764200 -14.4725 -23.9935 -46.7519 -23.9935 -21.4455 1.86365 -46.752 1.86365 1.55963 GPRESSAVG: 1764200 -14.4481 -22.4192 -44.9885 -26.7199 -20.5987 2.49624 -49.719 0.345048 0.903173 TIMING: 1764200 CPU: 5268.17, 0.00297963/step Wall: 5268.17, 0.00297963/step, 2.67819 hours remaining, 206.914062 MB of memory in use. ENERGY: 1764200 742.3164 2125.9698 1934.9542 112.2987 -206772.3814 18221.3603 0.0000 0.0000 34250.4113 -149385.0706 299.1174 -183635.4819 -149293.2290 298.3248 176.6723 207.7487 558458.9241 -11.4528 -11.3812 LDB: ============= START OF LOAD BALANCING ============== 5271.72 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5271.72 LDB: =============== DONE WITH MIGRATION ================ 5271.72 LDB: ============= START OF LOAD BALANCING ============== 5272.01 LDB: Largest compute 4773 load 0.028979 is 24.5% of average load 0.118116 LDB: Average compute 0.001733 is 1.5% of average load 0.118116 LDB: TIME 5272.02 LOAD: AVG 0.118116 MAX 0.210051 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 5272.02 LOAD: AVG 0.118116 MAX 0.210051 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 5272.02 LOAD: AVG 0.118116 MAX 0.210051 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5272.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5272.02 PRESSURE: 1764400 153.765 34.3217 199.749 34.3225 133.627 -30.83 199.749 -30.8282 189.14 GPRESSURE: 1764400 181.817 86.6433 226.09 -12.9749 187.138 -35.1917 263.644 67.4363 193.551 PRESSAVG: 1764400 -6.80304 8.00191 -6.92775 8.00196 10.0071 3.62663 -6.92781 3.62655 15.3981 GPRESSAVG: 1764400 -6.44009 7.31037 -5.70952 6.07104 10.0926 3.15365 -5.34965 5.3791 14.7058 TIMING: 1764400 CPU: 5268.77, 0.00301845/step Wall: 5268.77, 0.00301845/step, 2.71292 hours remaining, 206.714844 MB of memory in use. ENERGY: 1764400 718.1379 2124.6683 1954.4954 109.4648 -206754.8847 18269.9311 0.0000 0.0000 33998.4359 -149579.7513 296.9168 -183578.1872 -149480.6766 298.5618 158.8441 187.5017 558468.1607 6.2007 6.1194 PRESSURE: 1764600 -158.115 71.5909 -110.536 71.5922 -176.236 56.0144 -110.536 56.0155 46.8666 GPRESSURE: 1764600 -105.458 34.4839 -128.177 100.75 -119.349 61.5741 -179.027 55.4378 40.5772 PRESSAVG: 1764600 20.6906 50.0024 5.58825 50.0024 7.67448 -2.50246 5.58829 -2.50247 -14.4398 GPRESSAVG: 1764600 20.8841 51.7456 4.44158 52.9547 7.59008 -3.19357 2.9101 -4.54862 -14.6517 TIMING: 1764600 CPU: 5269.37, 0.00296876/step Wall: 5269.37, 0.00296876/step, 2.66809 hours remaining, 206.714844 MB of memory in use. ENERGY: 1764600 732.5618 2117.1251 1930.2007 110.8104 -206249.3129 17761.3276 0.0000 0.0000 33983.4522 -149613.8351 296.7859 -183597.2873 -149519.6268 297.9973 -95.8280 -61.4099 560511.8366 4.6418 4.6075 PRESSURE: 1764800 -247.626 44.5009 -59.8845 44.5007 -6.77509 -7.08823 -59.8842 -7.08776 -417.235 GPRESSURE: 1764800 -170.553 28.8521 -26.2863 76.1599 -6.10976 18.0347 -77.051 -15.2017 -407.601 PRESSAVG: 1764800 -65.3938 57.8771 10.4859 57.877 14.4386 -73.1184 10.486 -73.1185 -2.33356 GPRESSAVG: 1764800 -65.0305 55.2488 11.4294 55.8934 13.484 -73.2488 10.0101 -72.412 -1.84775 TIMING: 1764800 CPU: 5269.96, 0.00296684/step Wall: 5269.96, 0.00296684/step, 2.6662 hours remaining, 206.714844 MB of memory in use. ENERGY: 1764800 742.8256 2133.3738 1945.7674 115.8847 -206203.1338 17684.3268 0.0000 0.0000 33872.2327 -149708.7228 295.8146 -183580.9554 -149624.5999 297.5636 -223.8787 -194.7546 559223.7117 -17.7629 -17.7981 PRESSURE: 1765000 -4.7882 31.7609 -47.2667 31.7609 -57.4417 -45.4272 -47.2658 -45.426 -74.6678 GPRESSURE: 1765000 19.1856 26.7383 5.3109 36.2009 -60.6225 12.9223 33.1174 -85.0074 3.61595 PRESSAVG: 1765000 -64.0274 5.57096 16.2916 5.57078 27.5995 -65.8747 16.2916 -65.8747 32.0409 GPRESSAVG: 1765000 -65.1454 7.94547 16.4042 6.65065 28.5402 -64.1872 18.4346 -65.5295 32.0545 TIMING: 1765000 CPU: 5270.55, 0.00297879/step Wall: 5270.55, 0.00297879/step, 2.67678 hours remaining, 206.714844 MB of memory in use. ENERGY: 1765000 746.0691 2105.4802 1941.5043 112.5854 -206514.9328 17850.0962 0.0000 0.0000 34075.8417 -149683.3560 297.5928 -183759.1977 -149588.4834 298.0349 -45.6326 -12.6070 556208.2466 -1.4623 -1.5169 PRESSURE: 1765200 -117.255 -46.0562 -116.645 -46.0566 -247.772 -216.105 -116.645 -216.106 -76.4345 GPRESSURE: 1765200 -73.4524 -42.2996 -100.748 -49.5929 -219.817 -233.708 -165.296 -213.744 -46.0122 PRESSAVG: 1765200 22.7682 -7.43994 -29.6379 -7.43993 -18.7033 -45.7826 -29.6378 -45.7825 33.4679 GPRESSAVG: 1765200 24.4112 -7.03164 -31.6237 -7.54152 -18.9761 -47.7742 -30.1534 -46.1178 32.1564 TIMING: 1765200 CPU: 5271.15, 0.00299494/step Wall: 5271.15, 0.00299494/step, 2.69112 hours remaining, 206.714844 MB of memory in use. ENERGY: 1765200 755.2930 2118.8794 1963.4508 111.6052 -206291.0286 17632.6902 0.0000 0.0000 34030.7491 -149678.3609 297.1990 -183709.1100 -149585.2538 298.2517 -147.1538 -113.0938 556827.6931 12.5109 12.5305 PRESSURE: 1765400 135.907 48.9049 -66.426 48.9048 66.4857 -54.9004 -66.4257 -54.9 226.085 GPRESSURE: 1765400 165.146 -28.7416 -81.8116 104.808 51.4351 26.9995 -129.896 -108 309.494 PRESSAVG: 1765400 -3.10707 -55.0549 -54.5366 -55.0549 -14.9203 -52.2735 -54.5366 -52.2735 37.1719 GPRESSAVG: 1765400 -4.39852 -56.2697 -54.6386 -56.2684 -13.3864 -51.5483 -53.01 -52.3424 37.0786 TIMING: 1765400 CPU: 5271.76, 0.00300676/step Wall: 5271.76, 0.00300676/step, 2.70157 hours remaining, 206.714844 MB of memory in use. ENERGY: 1765400 776.1158 2079.1426 1929.6206 112.3961 -207057.5233 18283.1283 0.0000 0.0000 34169.6407 -149707.4792 298.4120 -183877.1199 -149602.7265 298.8446 142.8259 175.3583 556361.6294 6.3815 6.4312 PRESSURE: 1765600 -10.302 -52.3459 -97.6561 -52.3467 47.6952 19.2214 -97.6549 19.2217 16.7464 GPRESSURE: 1765600 67.7826 -144.826 -65.4776 -28.1024 7.30345 94.0593 -153.444 48.0621 67.7921 PRESSAVG: 1765600 -1.31301 -52.8857 -19.9879 -52.8856 -34.2134 -29.4528 -19.988 -29.4528 19.9271 GPRESSAVG: 1765600 -1.85073 -52.1518 -18.0593 -53.8463 -34.482 -27.4251 -20.5788 -29.0696 21.2291 TIMING: 1765600 CPU: 5272.36, 0.00300173/step Wall: 5272.36, 0.00300173/step, 2.69688 hours remaining, 206.714844 MB of memory in use. ENERGY: 1765600 717.0176 2106.1264 1912.0652 116.1702 -206572.0447 17833.2952 0.0000 0.0000 34125.5934 -149761.7766 298.0273 -183887.3700 -149669.4494 298.1684 18.0466 47.6260 557599.5948 -5.1998 -5.0346 PRESSURE: 1765800 3.48486 125.329 -39.2566 125.328 72.1854 -34.8988 -39.2562 -34.8984 -232.274 GPRESSURE: 1765800 52.7985 127.64 -123.845 122.306 114.87 -81.5677 22.3917 43.806 -220.703 PRESSAVG: 1765800 26.449 14.8609 35.7676 14.8609 12.9276 -7.20502 35.7676 -7.20513 20.9067 GPRESSAVG: 1765800 27.8149 14.9529 33.6094 14.8639 11.9057 -7.34823 36.5466 -7.05157 20.7146 TIMING: 1765800 CPU: 5272.96, 0.00300573/step Wall: 5272.96, 0.00300573/step, 2.70031 hours remaining, 206.714844 MB of memory in use. ENERGY: 1765800 737.7894 2060.9491 1921.1000 106.8153 -206495.3644 17863.7963 0.0000 0.0000 34306.1547 -149498.7597 299.6042 -183804.9143 -149404.6346 298.8937 -52.2014 -17.6781 559255.1705 20.0944 20.1451 PRESSURE: 1766000 -279.508 64.7079 38.2845 64.7075 11.5477 -87.6241 38.2836 -87.6251 59.9519 GPRESSURE: 1766000 -270.861 72.8166 145.111 92.1726 47.5339 42.8685 5.3318 -97.8208 115.43 PRESSAVG: 1766000 -39.7653 -1.34211 11.6812 -1.34209 38.2276 -53.3565 11.6811 -53.3565 20.5981 GPRESSAVG: 1766000 -41.2415 -2.24187 13.5237 -1.65503 38.4997 -55.4709 11.3497 -54.486 22.031 TIMING: 1766000 CPU: 5273.55, 0.00298979/step Wall: 5273.55, 0.00298979/step, 2.68583 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1766000 738.0929 2076.6955 1955.4449 115.6946 -206229.6966 17726.1231 0.0000 0.0000 34158.1522 -149459.4933 298.3116 -183617.6455 -149356.1327 298.8190 -69.3361 -35.9656 557763.6156 6.3535 6.4297 PRESSURE: 1766200 282.385 80.3357 -101.516 80.335 -27.029 -94.2852 -101.516 -94.2847 -264.833 GPRESSURE: 1766200 285.737 32.2745 -28.8375 36.4547 -16.7319 -65.2467 -130.761 -109.768 -192.591 PRESSAVG: 1766200 29.3012 -42.3934 -16.8341 -42.3934 -41.5066 -25.1561 -16.834 -25.1562 30.9937 GPRESSAVG: 1766200 29.5073 -40.2146 -18.0281 -43.3361 -40.7534 -25.4283 -15.7674 -24.5483 30.4243 TIMING: 1766200 CPU: 5274.15, 0.00296808/step Wall: 5274.15, 0.00296808/step, 2.66616 hours remaining, 206.714844 MB of memory in use. ENERGY: 1766200 718.4858 2063.2471 1916.9760 111.3387 -206610.5735 17899.9330 0.0000 0.0000 34270.8561 -149629.7368 299.2959 -183900.5929 -149527.0539 298.0307 -3.1592 25.4715 556986.9571 6.2627 6.3927 PRESSURE: 1766400 -11.9272 -100.116 53.4428 -100.116 -256.439 150.908 53.4434 150.907 -433.688 GPRESSURE: 1766400 52.3558 -146.954 25.5848 -55.1177 -265.821 89.6762 -45.2964 165.949 -395.368 PRESSAVG: 1766400 68.5699 45.4113 -17.9902 45.4113 -15.6952 -16.815 -17.9902 -16.8148 -55.3546 GPRESSAVG: 1766400 68.6225 43.0469 -16.6857 46.9346 -15.7428 -17.1152 -20.1395 -15.7449 -55.2961 TIMING: 1766400 CPU: 5274.75, 0.00300296/step Wall: 5274.75, 0.00300296/step, 2.69733 hours remaining, 206.714844 MB of memory in use. ENERGY: 1766400 708.8813 2040.2453 1948.9579 125.2649 -206312.0935 17606.0431 0.0000 0.0000 34099.8545 -149782.8464 297.8025 -183882.7009 -149690.7288 297.4604 -234.0182 -202.9445 557601.8740 -0.8266 -0.8055 PRESSURE: 1766600 -58.4841 -4.6604 -35.7336 -4.66022 -109.406 -70.4854 -35.7332 -70.4865 -12.9799 GPRESSURE: 1766600 5.11771 -73.2296 -47.7548 -34.9618 -50.5611 -57.9711 -52.1982 -21.4869 -33.7725 PRESSAVG: 1766600 34.7163 -20.2045 18.1353 -20.2045 -38.8484 -44.0051 18.1352 -44.0052 32.5312 GPRESSAVG: 1766600 35.0881 -21.7117 15.2915 -19.2787 -38.9079 -45.3035 19.4055 -45.8364 32.7302 TIMING: 1766600 CPU: 5275.35, 0.00299085/step Wall: 5275.35, 0.00299085/step, 2.68628 hours remaining, 206.714844 MB of memory in use. ENERGY: 1766600 734.4503 2094.1139 1942.9775 111.9683 -206245.8755 17634.7678 0.0000 0.0000 34059.4071 -149668.1906 297.4493 -183727.5976 -149570.2778 297.8522 -60.2901 -26.4053 556930.9384 9.4663 9.6368 PRESSURE: 1766800 -107.481 5.99245 -55.8607 5.99346 -123.292 -66.2119 -55.86 -66.2141 -281.478 GPRESSURE: 1766800 -103.015 76.2105 -88.8805 -54.0001 -84.3492 -91.5767 -72.1705 -87.9951 -235.478 PRESSAVG: 1766800 64.8221 -15.4577 -8.88637 -15.4576 -68.156 -13.7782 -8.88645 -13.7782 -16.2427 GPRESSAVG: 1766800 64.1262 -13.7371 -5.5752 -17.1578 -67.6777 -13.9587 -11.1805 -13.8558 -16.8504 TIMING: 1766800 CPU: 5275.95, 0.00301405/step Wall: 5275.95, 0.00301405/step, 2.70695 hours remaining, 206.714844 MB of memory in use. ENERGY: 1766800 752.9144 2039.9542 1954.4764 103.8346 -206132.3495 17523.8070 0.0000 0.0000 34302.2410 -149455.1219 299.5700 -183757.3629 -149359.6473 298.1049 -170.7502 -140.9471 557364.0982 -6.5255 -6.8007 PRESSURE: 1767000 -1.25178 -82.861 68.5135 -82.8591 -280.435 86.8416 68.5138 86.841 195.327 GPRESSURE: 1767000 28.5602 73.8189 33.9477 -102.018 -276.813 69.9878 -27.2993 87.0348 255.156 PRESSAVG: 1767000 -20.0771 -60.2899 19.5558 -60.2899 36.6746 -6.09037 19.5558 -6.09044 -18.0136 GPRESSAVG: 1767000 -19.7778 -59.7602 17.2403 -58.1376 36.5445 -3.52239 20.6966 -5.67175 -17.7715 TIMING: 1767000 CPU: 5276.55, 0.00299597/step Wall: 5276.55, 0.00299597/step, 2.69055 hours remaining, 206.714844 MB of memory in use. ENERGY: 1767000 731.8429 2042.0128 1943.8374 105.0908 -206455.7298 17782.8277 0.0000 0.0000 34318.6409 -149531.4773 299.7132 -183850.1182 -149425.4017 298.6735 -28.7867 2.3012 557672.1921 -0.4720 -0.3349 PRESSURE: 1767200 -64.8897 -82.0267 -48.3862 -82.0265 -64.8075 -5.03537 -48.387 -5.03362 -278.452 GPRESSURE: 1767200 -80.1104 -50.9381 26.1877 -86.4012 13.2919 -1.02474 15.2569 -18.9409 -228.797 PRESSAVG: 1767200 -1.42785 31.6213 46.9909 31.6213 -64.1547 -14.478 46.9908 -14.478 34.9732 GPRESSAVG: 1767200 -1.37885 30.6194 48.4349 29.5942 -64.1214 -15.9321 47.3577 -14.3231 34.4154 TIMING: 1767200 CPU: 5277.15, 0.00300201/step Wall: 5277.15, 0.00300201/step, 2.69581 hours remaining, 206.714844 MB of memory in use. ENERGY: 1767200 730.9198 2123.6767 1950.6539 114.9337 -206250.6514 17806.6350 0.0000 0.0000 34142.5156 -149381.3167 298.1751 -183523.8323 -149279.5698 298.9768 -136.0498 -98.5384 558410.7392 -10.2031 -10.3616 PRESSURE: 1767400 -67.1312 -141.775 17.4928 -141.774 39.8898 -46.1268 17.4931 -46.1262 98.4335 GPRESSURE: 1767400 -9.71521 -86.2735 -4.9246 -163.104 81.4426 -69.1663 55.5592 -97.4595 113.336 PRESSAVG: 1767400 -1.52313 -6.263 28.8229 -6.26294 -32.5701 0.572794 28.8229 0.57274 51.1701 GPRESSAVG: 1767400 -2.41774 -5.36264 28.5763 -5.94644 -32.4938 1.97081 28.2382 0.106607 52.2528 TIMING: 1767400 CPU: 5277.75, 0.00301385/step Wall: 5277.75, 0.00301385/step, 2.70627 hours remaining, 206.714844 MB of memory in use. ENERGY: 1767400 761.7207 2094.9105 1934.5429 103.6257 -206381.5130 17879.1477 0.0000 0.0000 34226.7182 -149380.8472 298.9104 -183607.5654 -149291.6376 298.6995 23.7307 61.6878 556979.9824 5.6923 5.7804 PRESSURE: 1767600 12.8304 155.763 72.0153 155.762 -81.4837 149.739 72.0149 149.74 129.648 GPRESSURE: 1767600 26.5784 121.12 25.717 189.181 2.03242 133.313 73.3903 101.442 138.242 PRESSAVG: 1767600 -2.02756 -52.6702 23.2013 -52.6701 -8.85006 14.9522 23.2013 14.9522 15.39 GPRESSAVG: 1767600 -1.17007 -52.8092 22.1049 -51.3508 -7.52738 14.6223 24.5227 16.7132 13.3847 TIMING: 1767600 CPU: 5278.35, 0.00301165/step Wall: 5278.35, 0.00301165/step, 2.70413 hours remaining, 206.714844 MB of memory in use. ENERGY: 1767600 717.3831 2079.8379 1952.7652 104.3938 -206565.4253 17961.5110 0.0000 0.0000 34258.2774 -149491.2571 299.1861 -183749.5344 -149391.8750 297.8169 20.3317 55.6177 557251.2882 1.5041 1.5624 PRESSURE: 1767800 -135.894 -49.4595 12.995 -49.4606 26.9805 -136.321 12.9965 -136.32 -175.608 GPRESSURE: 1767800 -76.8645 -79.1447 -56.3048 -5.25091 14.7771 -79.0615 66.0906 -154.844 -136.31 PRESSAVG: 1767800 7.539 16.3802 -65.4708 16.3801 -46.4416 13.9462 -65.4709 13.9462 -15.7946 GPRESSAVG: 1767800 8.42807 16.691 -65.5283 17.7125 -48.4376 12.9603 -65.9531 11.4733 -15.2422 TIMING: 1767800 CPU: 5278.95, 0.00299504/step Wall: 5278.95, 0.00299504/step, 2.68905 hours remaining, 206.714844 MB of memory in use. ENERGY: 1767800 740.0964 2079.8379 1932.3227 110.9204 -206126.1232 17716.4410 0.0000 0.0000 34011.1993 -149535.3056 297.0283 -183546.5049 -149434.3811 297.8596 -94.8404 -66.1325 557468.7508 -18.2324 -18.4172 PRESSURE: 1768000 -285.217 -10.8772 41.2853 -10.8754 -237.374 46.0248 41.2858 46.024 79.0014 GPRESSURE: 1768000 -252.547 11.6805 29.6508 -54.2703 -163.432 113.383 39.6871 -34.8471 74.7157 PRESSAVG: 1768000 28.4597 -10.9213 29.0065 -10.9213 -18.2478 7.6358 29.0066 7.63585 -23.2311 GPRESSAVG: 1768000 28.1145 -12.3294 28.8184 -11.379 -17.5631 8.38033 29.5764 9.02173 -23.3818 TIMING: 1768000 CPU: 5279.56, 0.00301807/step Wall: 5279.56, 0.00301807/step, 2.70956 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1768000 734.1650 2096.9101 1930.1568 112.5231 -206045.7909 17453.5894 0.0000 0.0000 34338.7800 -149379.6666 299.8891 -183718.4465 -149280.8722 298.2799 -147.8631 -113.7544 557625.0174 -4.3397 -4.2768 PRESSURE: 1768200 3.88191 -76.3885 71.4829 -76.3892 -143.827 40.5744 71.483 40.5738 31.5002 GPRESSURE: 1768200 43.4567 -66.2877 66.1479 -179.303 -64.3854 76.8263 69.9259 48.0167 -2.48292 PRESSAVG: 1768200 -24.0231 3.44972 -17.4614 3.44979 47.4612 51.4447 -17.4613 51.4448 10.0625 GPRESSAVG: 1768200 -23.9868 4.22115 -16.6685 1.50988 47.4855 50.514 -16.9352 51.009 10.3536 TIMING: 1768200 CPU: 5280.16, 0.00299021/step Wall: 5280.16, 0.00299021/step, 2.68438 hours remaining, 206.714844 MB of memory in use. ENERGY: 1768200 763.8500 2124.9379 1891.7715 105.5290 -206302.3008 17805.2681 0.0000 0.0000 34282.2398 -149328.7046 299.3953 -183610.9444 -149234.1939 299.2103 -36.1484 -7.8039 557436.6691 11.1669 11.2841 LDB: ============= START OF LOAD BALANCING ============== 5283.71 LDB: ============== END OF LOAD BALANCING =============== 5283.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5283.71 LDB: ============= START OF LOAD BALANCING ============== 5284.01 LDB: Largest compute 4773 load 0.028413 is 24.1% of average load 0.118129 LDB: Average compute 0.001735 is 1.5% of average load 0.118129 LDB: TIME 5284.01 LOAD: AVG 0.118129 MAX 0.211345 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 5284.01 LOAD: AVG 0.118129 MAX 0.211345 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.648 MB LDB: TIME 5284.01 LOAD: AVG 0.118129 MAX 0.211345 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.648 MB LDB: ============== END OF LOAD BALANCING =============== 5284.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5284.01 PRESSURE: 1768400 -240.793 33.2901 58.2224 33.2906 -69.1405 -123.743 58.222 -123.744 -12.9517 GPRESSURE: 1768400 -201.839 -26.0632 -56.6546 21.1443 -57.1031 -174.519 100.404 -74.7805 27.4966 PRESSAVG: 1768400 65.9879 -2.03064 -31.7527 -2.03059 4.54083 60.1412 -31.7525 60.1411 -47.1192 GPRESSAVG: 1768400 66.8138 -3.10216 -33.5601 -1.40233 3.75003 58.6558 -31.1204 61.27 -46.2221 TIMING: 1768400 CPU: 5280.77, 0.00305/step Wall: 5280.77, 0.00305/step, 2.73788 hours remaining, 207.417969 MB of memory in use. ENERGY: 1768400 756.5663 2127.3578 1905.7137 105.8095 -205978.2766 17633.5691 0.0000 0.0000 34251.4264 -149197.8337 299.1262 -183449.2602 -149093.8026 299.6641 -107.6285 -77.1485 557727.8772 7.8032 8.1139 PRESSURE: 1768600 -0.123197 -103.757 -92.4869 -103.757 -281.394 150.694 -92.4868 150.693 -100.831 GPRESSURE: 1768600 16.4955 -141.537 13.1375 -79.0619 -259.927 78.9852 -88.1726 114.104 -51.9483 PRESSAVG: 1768600 31.9638 15.3098 -33.9193 15.3097 -38.6669 -25.0562 -33.9194 -25.0562 4.15652 GPRESSAVG: 1768600 30.4644 16.6447 -31.7938 15.7188 -37.1266 -23.6576 -34.8534 -23.4603 3.99586 TIMING: 1768600 CPU: 5281.36, 0.00299103/step Wall: 5281.36, 0.00299103/step, 2.68478 hours remaining, 207.417969 MB of memory in use. ENERGY: 1768600 740.7036 2050.5535 1927.4654 101.4008 -206185.1456 17606.1301 0.0000 0.0000 34371.9454 -149386.9468 300.1787 -183758.8922 -149292.0991 299.7589 -127.4494 -98.4598 557383.4019 -0.8488 -0.8888 PRESSURE: 1768800 -226.079 -16.3972 -49.2231 -16.3982 -231.722 55.0189 -49.2239 55.0198 -191.01 GPRESSURE: 1768800 -185.917 -26.5277 -84.2948 90.7201 -195.961 9.35649 41.8694 41.7964 -166.3 PRESSAVG: 1768800 55.4927 -32.094 13.0636 -32.0941 -8.10233 2.27005 13.0637 2.27001 -39.1246 GPRESSAVG: 1768800 56.5818 -33.8611 11.9595 -31.3391 -7.99152 3.48093 12.0984 -1.17505 -39.6348 TIMING: 1768800 CPU: 5281.96, 0.00297005/step Wall: 5281.96, 0.00297005/step, 2.66578 hours remaining, 207.417969 MB of memory in use. ENERGY: 1768800 769.4568 2136.3390 1910.6436 98.9079 -205810.1801 17475.8651 0.0000 0.0000 34193.1843 -149225.7834 298.6176 -183418.9677 -149134.9922 298.8443 -216.2705 -182.7257 558313.1865 2.7553 2.9852 PRESSURE: 1769000 245.723 -31.619 -176.471 -31.6185 -151.17 80.7271 -176.472 80.7263 67.0038 GPRESSURE: 1769000 283.853 8.49356 -178.707 -1.1412 -100.412 61.8977 -201.045 44.4383 57.2836 PRESSAVG: 1769000 33.8553 16.0451 -1.27286 16.0451 -81.147 -20.7696 -1.27279 -20.7696 38.2088 GPRESSAVG: 1769000 34.2508 18.5372 -2.20669 13.2943 -80.9745 -22.0349 0.378155 -19.9198 37.4379 TIMING: 1769000 CPU: 5282.55, 0.00296138/step Wall: 5282.55, 0.00296138/step, 2.65784 hours remaining, 207.417969 MB of memory in use. ENERGY: 1769000 746.8298 2110.5043 1923.3115 104.8628 -206480.4669 17978.0067 0.0000 0.0000 34300.5205 -149316.4313 299.5550 -183616.9518 -149219.0606 298.5740 53.8521 80.2415 557498.1772 -3.0276 -3.0953 PRESSURE: 1769200 237.781 5.44247 -31.7854 5.44271 -60.1117 10.6432 -31.7853 10.6434 145.215 GPRESSURE: 1769200 212.07 -70.8931 -98.9604 -1.45855 -27.2673 31.9344 52.6859 84.1055 233.276 PRESSAVG: 1769200 -5.86605 -23.5683 1.82341 -23.5683 -26.3386 -51.6362 1.82334 -51.6362 24.2823 GPRESSAVG: 1769200 -6.01045 -24.8555 3.92464 -23.6436 -26.8688 -52.0424 0.306537 -51.5939 25.3632 TIMING: 1769200 CPU: 5283.15, 0.00298677/step Wall: 5283.15, 0.00298677/step, 2.68046 hours remaining, 207.417969 MB of memory in use. ENERGY: 1769200 724.5919 2100.5671 1934.9937 104.7537 -206041.9356 17872.4813 0.0000 0.0000 34176.0160 -149128.5319 298.4676 -183304.5479 -149035.0944 299.3609 107.6280 139.3596 557589.9142 -2.6408 -2.5054 PRESSURE: 1769400 -160.907 -55.7671 53.903 -55.7673 -56.7673 -53.4899 53.9028 -53.4889 -137.236 GPRESSURE: 1769400 -119.484 -107.082 118.072 -10.5185 -41.8069 -74.1971 94.432 -28.0476 -89.9273 PRESSAVG: 1769400 -45.2003 6.07153 43.2534 6.07152 -37.3553 -28.3077 43.2534 -28.3076 75.5485 GPRESSAVG: 1769400 -43.8546 6.98581 41.3705 6.50207 -38.4405 -27.6308 45.0328 -26.7448 75.0426 TIMING: 1769400 CPU: 5283.75, 0.00300511/step Wall: 5283.75, 0.00300511/step, 2.69675 hours remaining, 207.417969 MB of memory in use. ENERGY: 1769400 788.4984 2096.4868 1912.3958 102.4448 -205911.2613 17585.2619 0.0000 0.0000 34310.0970 -149116.0766 299.6386 -183426.1737 -149023.0181 299.6349 -118.3035 -83.7393 558321.8073 -2.3357 -2.4175 PRESSURE: 1769600 -33.2032 -61.7829 -55.6982 -61.7839 -161.538 123.314 -55.698 123.313 -101.709 GPRESSURE: 1769600 -46.357 -150.738 -43.6506 -55.4962 -118.08 219.002 -42.4521 108.895 -26.8019 PRESSAVG: 1769600 -8.17914 -2.75736 48.8211 -2.75746 -67.1469 -17.8884 48.8211 -17.8884 52.4863 GPRESSAVG: 1769600 -9.31653 -3.16878 47.1284 -2.643 -66.7616 -20.1611 48.0338 -21.4113 53.411 TIMING: 1769600 CPU: 5284.35, 0.00300355/step Wall: 5284.35, 0.00300355/step, 2.69518 hours remaining, 207.417969 MB of memory in use. ENERGY: 1769600 802.1437 2023.7351 1912.4857 125.6962 -206474.3292 17983.4068 0.0000 0.0000 34421.8709 -149204.9907 300.6148 -183626.8617 -149103.3139 299.6698 -98.8168 -63.7464 557817.4351 -7.6133 -7.5557 PRESSURE: 1769800 18.4392 150.714 54.264 150.713 -302.871 224.009 54.2645 224.01 -37.3486 GPRESSURE: 1769800 41.5789 176.364 -7.97342 82.7075 -240.399 269.357 101.238 159.646 -13.2509 PRESSAVG: 1769800 -21.5233 10.7701 35.8236 10.7701 20.951 -8.59691 35.8236 -8.597 53.8264 GPRESSAVG: 1769800 -20.7263 6.73725 40.4788 12.0124 21.0709 -9.16943 33.75 -5.70057 52.4392 TIMING: 1769800 CPU: 5284.95, 0.0029923/step Wall: 5284.95, 0.0029923/step, 2.68493 hours remaining, 207.417969 MB of memory in use. ENERGY: 1769800 746.8659 2081.4869 1943.3819 108.9414 -205829.3424 17528.5859 0.0000 0.0000 34327.7033 -149092.3771 299.7924 -183420.0804 -148995.4694 299.5593 -107.2601 -70.6902 558159.6774 17.7514 17.5946 PRESSURE: 1770000 -0.247083 123.16 15.5392 123.16 -100.495 -116.324 15.5395 -116.322 42.4558 GPRESSURE: 1770000 22.0136 197.101 -65.017 36.7876 -49.6817 -195.145 37.964 10.8591 55.0976 PRESSAVG: 1770000 -57.1648 -17.3608 9.73707 -17.3608 4.73198 -52.3416 9.737 -52.3415 27.8187 GPRESSAVG: 1770000 -58.2325 -16.0377 8.29787 -15.1519 5.39318 -51.803 8.87034 -52.2418 27.4394 TIMING: 1770000 CPU: 5285.55, 0.00300046/step Wall: 5285.55, 0.00300046/step, 2.69208 hours remaining, 207.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1770000 743.7437 2136.6119 1912.6109 113.1084 -205890.7173 17811.5244 0.0000 0.0000 34069.7670 -149103.3510 297.5397 -183173.1180 -149008.0291 300.1987 -19.4286 9.1431 558456.1983 -8.2047 -8.4666 PRESSURE: 1770200 90.0529 -12.289 -54.8913 -12.2897 51.803 -155.234 -54.8918 -155.234 46.1795 GPRESSURE: 1770200 87.2135 -69.5134 -20.4982 33.8326 126.809 -251.528 -45.518 -114.828 57.578 PRESSAVG: 1770200 -31.4534 18.8713 -15.7039 18.8713 16.397 -49.9061 -15.7041 -49.9062 -31.4529 GPRESSAVG: 1770200 -31.344 21.9448 -17.157 15.9523 15.7738 -49.3696 -13.1892 -50.9613 -30.7785 TIMING: 1770200 CPU: 5286.14, 0.00298017/step Wall: 5286.14, 0.00298017/step, 2.67371 hours remaining, 207.417969 MB of memory in use. ENERGY: 1770200 748.5948 2123.4886 1934.3969 109.6273 -206198.4165 17924.7740 0.0000 0.0000 34387.9958 -148969.5392 300.3189 -183357.5350 -148877.7061 299.2956 62.6785 90.5335 558118.9093 -15.5031 -15.4496 PRESSURE: 1770400 -45.9645 -24.3594 -66.2817 -24.3597 93.5589 -46.391 -66.2829 -46.3903 94.1598 GPRESSURE: 1770400 -1.2326 -81.4942 -47.2756 -59.352 121.291 -55.0896 -179.549 -66.9365 126.157 PRESSAVG: 1770400 37.5895 14.4468 -17.6864 14.4468 9.33545 -24.9187 -17.6863 -24.9187 -23.2923 GPRESSAVG: 1770400 37.5373 14.0822 -17.5056 12.8156 9.72034 -24.1632 -17.9444 -26.4531 -24.0091 TIMING: 1770400 CPU: 5286.75, 0.00301106/step Wall: 5286.75, 0.00301106/step, 2.70126 hours remaining, 207.417969 MB of memory in use. ENERGY: 1770400 765.6666 2088.6901 1930.9528 111.8461 -206077.9717 17857.4046 0.0000 0.0000 34280.2596 -149043.1519 299.3780 -183323.4115 -148944.3040 299.4785 47.2514 82.0718 556866.8977 7.8776 7.7495 PRESSURE: 1770600 -388.624 26.0208 41.3086 26.0202 -11.0601 29.3139 41.3089 29.3114 -171.02 GPRESSURE: 1770600 -339.053 94.2577 -33.9208 -7.40454 -2.80838 63.5094 68.854 11.5612 -132.257 PRESSAVG: 1770600 -87.2667 -30.8497 -4.15902 -30.8496 12.798 60.9749 -4.15905 60.9751 52.9336 GPRESSAVG: 1770600 -88.0063 -33.5267 -4.21543 -27.886 12.6047 61.584 -4.40009 61.4594 53.2173 TIMING: 1770600 CPU: 5287.35, 0.00301949/step Wall: 5287.35, 0.00301949/step, 2.70865 hours remaining, 207.417969 MB of memory in use. ENERGY: 1770600 718.8817 2128.4935 1957.7608 121.1734 -205580.9734 17481.0867 0.0000 0.0000 34306.6112 -148866.9660 299.6082 -183173.5773 -148767.5433 300.2021 -190.2347 -158.0395 558565.5145 -7.1784 -7.3948 PRESSURE: 1770800 -254.869 50.4524 40.6951 50.4522 -27.3729 -25.8455 40.6953 -25.8469 -131.582 GPRESSURE: 1770800 -206.886 41.4795 54.4202 16.5251 -18.3997 -122.657 28.8548 66.102 -110.228 PRESSAVG: 1770800 17.8746 -52.465 58.4885 -52.4649 31.4181 6.90564 58.4886 6.90572 -8.62606 GPRESSAVG: 1770800 18.213 -50.8471 58.1425 -52.6472 30.5503 4.39439 59.2348 8.96047 -8.83182 TIMING: 1770800 CPU: 5287.95, 0.00298435/step Wall: 5287.95, 0.00298435/step, 2.67696 hours remaining, 207.417969 MB of memory in use. ENERGY: 1770800 770.1222 2162.4796 1920.1978 117.7736 -205570.9968 17443.7353 0.0000 0.0000 34373.1829 -148783.5055 300.1896 -183156.6884 -148683.6648 301.2023 -137.9414 -111.8378 557885.6597 13.5555 13.3105 PRESSURE: 1771000 -287.01 42.4867 132.779 42.4859 63.1254 40.686 132.78 40.6862 -199.488 GPRESSURE: 1771000 -271.932 143.847 84.139 -8.57474 110.02 61.8452 128.581 43.8726 -160.194 PRESSAVG: 1771000 10.75 15.6631 -0.463425 15.6631 -19.6548 -57.9184 -0.463396 -57.9185 15.0762 GPRESSAVG: 1771000 10.7435 16.3536 0.757294 15.4992 -18.5246 -58.6348 -3.27649 -59.0773 14.4495 TIMING: 1771000 CPU: 5288.54, 0.00298235/step Wall: 5288.54, 0.00298235/step, 2.67501 hours remaining, 207.417969 MB of memory in use. ENERGY: 1771000 694.0370 2085.4178 1934.8412 121.8170 -205472.7843 17310.1483 0.0000 0.0000 34466.8050 -148859.7179 301.0072 -183326.5229 -148759.2538 300.5219 -141.1240 -107.3687 557528.7903 2.0571 2.2228 PRESSURE: 1771200 251.941 65.1968 -9.67307 65.197 279.382 -65.6306 -9.6732 -65.6307 255.401 GPRESSURE: 1771200 314.769 85.9342 -149.774 43.5898 269.316 -109.749 54.7405 -56.6281 293.569 PRESSAVG: 1771200 -22.9167 39.8289 5.59547 39.8289 39.3555 11.293 5.59539 11.2931 40.2298 GPRESSAVG: 1771200 -23.1119 38.5251 2.42553 40.0687 38.8531 14.0578 7.6372 10.175 41.2457 TIMING: 1771200 CPU: 5289.15, 0.00303213/step Wall: 5289.15, 0.00303213/step, 2.71949 hours remaining, 207.417969 MB of memory in use. ENERGY: 1771200 755.3584 2145.0743 1948.9256 119.7409 -206297.0573 18235.1089 0.0000 0.0000 34292.4102 -148800.4391 299.4841 -183092.8493 -148711.4700 300.8115 262.2413 292.5512 556966.2194 18.8895 18.9956 PRESSURE: 1771400 -174.79 -135.244 -94.4152 -135.244 -404.331 -26.345 -94.4157 -26.3458 -60.7241 GPRESSURE: 1771400 -144.38 -106.244 -113.946 -116.634 -362.579 87.0303 -88.1544 -49.1392 -35.9468 PRESSAVG: 1771400 47.2308 -17.2717 -25.4264 -17.2717 24.3161 -3.42111 -25.4264 -3.42102 -58.6876 GPRESSAVG: 1771400 46.2494 -17.2127 -21.7192 -17.7409 25.0671 -1.3463 -26.8679 -4.5573 -57.8924 TIMING: 1771400 CPU: 5289.75, 0.00301784/step Wall: 5289.75, 0.00301784/step, 2.7065 hours remaining, 207.417969 MB of memory in use. ENERGY: 1771400 789.2212 2109.3281 1933.2504 101.0845 -205530.5065 17389.8057 0.0000 0.0000 34433.2315 -148774.5851 300.7140 -183207.8166 -148672.8202 300.7907 -213.2819 -180.9686 558102.6613 4.2864 4.4747 PRESSURE: 1771600 115.233 25.3718 53.7671 25.3727 87.7532 56.9028 53.7679 56.903 -264.7 GPRESSURE: 1771600 146.037 21.5402 -1.60801 35.9309 110.789 30.2769 34.9077 7.83116 -209.353 PRESSAVG: 1771600 111.391 7.63141 3.20619 7.63142 -60.6185 7.16914 3.20623 7.16907 -55.5002 GPRESSAVG: 1771600 111.95 7.98764 2.0873 7.26633 -60.3927 3.10751 1.58224 8.34629 -56.1562 TIMING: 1771600 CPU: 5290.35, 0.0029819/step Wall: 5290.35, 0.0029819/step, 2.6741 hours remaining, 207.417969 MB of memory in use. ENERGY: 1771600 740.1804 2067.5231 1947.4893 104.3741 -205880.8624 17710.7100 0.0000 0.0000 34355.3352 -148955.2504 300.0337 -183310.5856 -148857.3179 300.6171 -20.5711 15.8244 556640.3931 -1.5758 -1.5331 PRESSURE: 1771800 73.7202 -82.2613 -130.876 -82.2616 22.8223 -90.0381 -130.876 -90.0371 109.993 GPRESSURE: 1771800 90.9772 -154.653 -166.698 -27.8966 128.82 -65.8083 -109.368 -88.3243 96.0851 PRESSAVG: 1771800 -3.68759 -13.8275 -17.1081 -13.8275 -39.8379 -38.9535 -17.108 -38.9536 0.508383 GPRESSAVG: 1771800 -2.27887 -13.2839 -16.2659 -12.1952 -40.6911 -37.3029 -14.4024 -40.2069 0.348393 TIMING: 1771800 CPU: 5290.94, 0.00297789/step Wall: 5290.94, 0.00297789/step, 2.67034 hours remaining, 207.417969 MB of memory in use. ENERGY: 1771800 741.5533 2164.6701 1937.7025 111.2267 -206340.5667 17729.7083 0.0000 0.0000 34509.8115 -149145.8943 301.3828 -183655.7059 -149051.5578 299.9928 68.8451 105.2942 556130.3203 -14.3390 -14.2072 PRESSURE: 1772000 -222.73 48.6565 145.191 48.6564 -102.811 32.5318 145.191 32.5328 -142.506 GPRESSURE: 1772000 -209.009 -58.1504 148.174 35.2129 -58.9371 80.9761 86.4436 102.841 -96.7468 PRESSAVG: 1772000 78.7474 34.3053 -4.63448 34.3053 -67.6532 13.1296 -4.63447 13.1297 5.31389 GPRESSAVG: 1772000 78.7143 32.1543 -1.73451 33.2472 -67.8117 12.4238 -6.50215 15.028 5.97072 TIMING: 1772000 CPU: 5291.54, 0.00295892/step Wall: 5291.54, 0.00295892/step, 2.65317 hours remaining, 207.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1772000 782.9549 2126.1827 1941.9830 104.7291 -206176.2591 17536.4596 0.0000 0.0000 34295.5551 -149388.3947 299.5116 -183683.9498 -149289.4582 300.2307 -156.0158 -121.5644 556246.5146 5.4694 5.6245 PRESSURE: 1772200 296.225 -210.506 -72.5617 -210.507 73.3418 10.6078 -72.5613 10.6089 -47.9088 GPRESSURE: 1772200 362.753 -185.69 -39.5986 -231.14 85.2795 -6.22591 -56.9403 12.8679 -17.103 PRESSAVG: 1772200 30.3653 8.01314 63.5778 8.01322 7.82782 -12.0012 63.5779 -12.0012 34.5601 GPRESSAVG: 1772200 28.8108 9.22502 60.2142 8.34799 8.85854 -13.0662 63.7816 -11.5 35.2866 TIMING: 1772200 CPU: 5292.13, 0.00296764/step Wall: 5292.13, 0.00296764/step, 2.66082 hours remaining, 207.417969 MB of memory in use. ENERGY: 1772200 737.1756 2079.1263 1925.6235 108.3953 -206437.6093 17934.7842 0.0000 0.0000 34319.3323 -149333.1721 299.7193 -183652.5044 -149239.4572 299.2308 107.2193 143.6430 556208.4573 24.2511 24.3187 LDB: ============= START OF LOAD BALANCING ============== 5295.68 LDB: ============== END OF LOAD BALANCING =============== 5295.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5295.68 LDB: ============= START OF LOAD BALANCING ============== 5295.98 LDB: Largest compute 4773 load 0.027098 is 22.9% of average load 0.118140 LDB: Average compute 0.001729 is 1.5% of average load 0.118140 LDB: TIME 5295.98 LOAD: AVG 0.11814 MAX 0.212901 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 5295.98 LOAD: AVG 0.11814 MAX 0.212901 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: TIME 5295.98 LOAD: AVG 0.11814 MAX 0.212901 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5295.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5295.99 PRESSURE: 1772400 42.0704 -77.3671 -25.3348 -77.3663 -47.3838 -7.24006 -25.3358 -7.23954 -216.081 GPRESSURE: 1772400 12.1171 -63.4971 36.4876 -117.263 59.9391 -45.823 -85.1632 -8.51182 -192.549 PRESSAVG: 1772400 58.5209 -18.9707 0.501432 -18.9706 -71.5337 27.1885 0.501566 27.1886 11.5535 GPRESSAVG: 1772400 59.4425 -18.9522 1.15035 -18.9042 -71.7521 28.8829 0.969425 26.1494 10.7994 TIMING: 1772400 CPU: 5292.74, 0.00305528/step Wall: 5292.74, 0.00305528/step, 2.73923 hours remaining, 206.714844 MB of memory in use. ENERGY: 1772400 728.6627 2071.3153 1933.4260 113.5748 -206295.3846 17789.4171 0.0000 0.0000 34262.4542 -149396.5346 299.2225 -183658.9887 -149303.1411 298.6819 -73.7980 -40.1644 557586.7154 -0.4864 -0.5034 PRESSURE: 1772600 -83.0208 112.428 76.3148 112.43 28.9383 10.0259 76.3165 10.0271 -68.6411 GPRESSURE: 1772600 -47.7802 -1.86721 118.329 46.5293 19.6171 10.9154 -27.6483 -43.9551 2.27932 PRESSAVG: 1772600 27.1284 -8.34469 -11.1236 -8.34469 -26.389 47.0091 -11.1236 47.0091 12.1105 GPRESSAVG: 1772600 26.4291 -10.5291 -12.7001 -6.37604 -26.5261 46.414 -10.1675 47.0491 13.1753 TIMING: 1772600 CPU: 5293.34, 0.00300688/step Wall: 5293.34, 0.00300688/step, 2.69567 hours remaining, 206.714844 MB of memory in use. ENERGY: 1772600 757.1239 2068.2345 1953.0368 108.2361 -206636.0972 17905.3090 0.0000 0.0000 34233.2166 -149610.9402 298.9672 -183844.1569 -149514.0172 298.6924 -40.9079 -8.6279 557350.8863 4.2833 4.3594 PRESSURE: 1772800 -3.21461 -38.2156 7.20304 -38.2166 -232.174 -28.5373 7.20402 -28.5363 37.2581 GPRESSURE: 1772800 -55.3265 -9.25925 66.2131 -21.1939 -165.981 -41.9989 54.3819 -38.7093 110.427 PRESSAVG: 1772800 32.5022 9.16078 43.2778 9.16083 -34.1519 -8.87643 43.2777 -8.8765 12.5866 GPRESSAVG: 1772800 33.0899 10.2814 46.0151 7.9955 -34.3087 -5.53498 43.6343 -8.69629 12.4929 TIMING: 1772800 CPU: 5293.94, 0.00299677/step Wall: 5293.94, 0.00299677/step, 2.68643 hours remaining, 206.714844 MB of memory in use. ENERGY: 1772800 792.5791 2059.5106 1917.0983 105.9342 -206787.8856 17877.6950 0.0000 0.0000 34429.0001 -149606.0683 300.6770 -184035.0684 -149512.6615 298.8552 -66.0435 -36.9603 556499.7679 3.6456 3.7580 PRESSURE: 1773000 -149.01 -93.3398 -6.68234 -93.3408 -127.95 -210.518 -6.6804 -210.518 -194.465 GPRESSURE: 1773000 -159.503 -12.9671 -46.1688 -183.236 -92.7759 -115.702 14.5897 -207.254 -123.033 PRESSAVG: 1773000 43.9932 6.50673 -0.0295425 6.50673 -58.6578 -30.4728 -0.0294682 -30.4728 4.71443 GPRESSAVG: 1773000 42.9618 8.34618 -2.40852 4.88206 -57.4806 -32.4086 -1.55524 -28.556 4.62643 TIMING: 1773000 CPU: 5294.54, 0.00299026/step Wall: 5294.54, 0.00299026/step, 2.68043 hours remaining, 206.714844 MB of memory in use. ENERGY: 1773000 745.2531 2094.7208 1941.3893 103.9772 -206080.1128 17695.7386 0.0000 0.0000 33997.1412 -149501.8927 296.9055 -183499.0338 -149405.4318 298.7639 -157.1417 -125.1042 557424.7524 -3.3167 -3.2974 PRESSURE: 1773200 118.363 -64.8742 -8.37641 -64.8743 150.283 -150.72 -8.37627 -150.721 -152.398 GPRESSURE: 1773200 121.533 -106.016 0.40446 8.99468 172.908 -92.1262 2.5268 -172.974 -80.5784 PRESSAVG: 1773200 -15.0307 -36.5428 -17.0277 -36.5428 -18.2471 -1.25822 -17.0276 -1.25834 11.694 GPRESSAVG: 1773200 -14.569 -37.8862 -15.3331 -35.5934 -19.0615 -2.92054 -16.7607 -2.78517 12.1285 TIMING: 1773200 CPU: 5295.13, 0.00296381/step Wall: 5295.13, 0.00296381/step, 2.65656 hours remaining, 206.714844 MB of memory in use. ENERGY: 1773200 744.5073 2124.2769 1931.6474 114.1004 -206513.4688 17817.9399 0.0000 0.0000 34411.7701 -149369.2267 300.5265 -183780.9968 -149279.8834 299.3201 38.7498 71.2878 555710.1144 -7.1946 -7.1674 PRESSURE: 1773400 265.044 13.7689 75.7853 13.7672 150.784 -64.1868 75.7855 -64.1873 204.998 GPRESSURE: 1773400 295.933 99.0092 45.7214 1.3819 263.239 -79.5606 30.9821 -13.1552 158.146 PRESSAVG: 1773400 1.54102 -80.6638 25.4445 -80.6639 23.7771 -52.7308 25.4445 -52.731 -50.7137 GPRESSAVG: 1773400 1.04255 -80.0257 24.0036 -77.9729 24.2797 -51.1935 27.3271 -53.9964 -51.2441 TIMING: 1773400 CPU: 5295.73, 0.00297376/step Wall: 5295.73, 0.00297376/step, 2.66531 hours remaining, 206.714844 MB of memory in use. ENERGY: 1773400 749.2635 2061.4060 1949.1462 121.0509 -206469.7549 18032.1686 0.0000 0.0000 34205.6112 -149351.1085 298.7261 -183556.7197 -149257.6333 299.1548 206.9419 239.1061 555331.3478 -8.4652 -8.6406 PRESSURE: 1773600 -283.222 62.6021 177.885 62.6026 -26.3729 -108.022 177.885 -108.021 263.189 GPRESSURE: 1773600 -240.71 64.9526 136.007 9.19368 -11.6649 -194.259 192.24 -0.0260372 317.074 PRESSAVG: 1773600 -22.0596 -72.4019 20.2259 -72.402 23.3548 30.2859 20.2259 30.2858 55.1737 GPRESSAVG: 1773600 -23.1238 -70.632 20.5112 -73.8511 24.4573 30.1005 20.9009 31.8896 54.9758 TIMING: 1773600 CPU: 5296.33, 0.00299033/step Wall: 5296.33, 0.00299033/step, 2.68 hours remaining, 206.714844 MB of memory in use. ENERGY: 1773600 746.2962 2046.5456 1940.7381 103.8645 -206434.7418 17894.5326 0.0000 0.0000 34307.9731 -149394.7916 299.6201 -183702.7647 -149298.5105 298.8023 -15.4687 21.5663 556598.7355 18.8230 18.7698 PRESSURE: 1773800 -1.93392 52.5675 45.3674 52.5675 51.482 121.578 45.3658 121.579 -78.9858 GPRESSURE: 1773800 70.7212 55.6109 -19.0795 0.255817 107.175 10.7459 123.172 201.731 -105.188 PRESSAVG: 1773800 -81.9071 -3.78758 39.0361 -3.78759 -12.1347 54.0554 39.0361 54.0555 81.2185 GPRESSAVG: 1773800 -80.4861 -6.36373 40.5873 -5.00537 -13.2984 52.4627 36.1088 53.7933 81.2656 TIMING: 1773800 CPU: 5296.92, 0.00298697/step Wall: 5296.92, 0.00298697/step, 2.67683 hours remaining, 206.714844 MB of memory in use. ENERGY: 1773800 742.0296 2103.5517 1931.8806 116.3950 -206187.9872 17732.9981 0.0000 0.0000 34292.0876 -149269.0446 299.4813 -183561.1322 -149162.8625 298.9956 -9.8126 24.2359 556482.0747 -4.2744 -4.1730 PRESSURE: 1774000 -494.51 -16.3451 48.3608 -16.3434 -37.7286 -195.615 48.3605 -195.616 63.9851 GPRESSURE: 1774000 -465.208 57.9754 1.56649 -83.2011 -11.4624 -174.361 54.3719 -154.528 100.417 PRESSAVG: 1774000 -46.8753 58.3964 16.7717 58.3965 7.60368 -3.32119 16.7717 -3.32125 30.5223 GPRESSAVG: 1774000 -47.0596 59.815 16.4919 58.1008 7.92484 -2.62897 19.8399 -0.350804 30.6931 TIMING: 1774000 CPU: 5297.52, 0.0029861/step Wall: 5297.52, 0.0029861/step, 2.67588 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1774000 729.5163 2078.0322 1943.8859 116.6564 -205758.1847 17490.9009 0.0000 0.0000 34117.3720 -149281.8209 297.9555 -183399.1930 -149180.2309 298.8280 -156.0845 -125.4177 558682.0405 -2.9164 -2.8139 PRESSURE: 1774200 -38.0785 -157.37 63.1239 -157.37 -139.022 -8.30236 63.1235 -8.30197 80.7489 GPRESSURE: 1774200 -27.7467 -183.287 48.1827 -126.913 -98.7433 42.976 141.988 21.4074 141.461 PRESSAVG: 1774200 -44.7473 -40.0933 102.448 -40.0933 21.5026 -3.72865 102.448 -3.72872 -4.31843 GPRESSAVG: 1774200 -45.7062 -39.5199 100.789 -40.5876 21.351 -4.38894 103.471 -5.85424 -2.76026 TIMING: 1774200 CPU: 5298.12, 0.00300554/step Wall: 5298.12, 0.00300554/step, 2.69313 hours remaining, 206.714844 MB of memory in use. ENERGY: 1774200 705.0558 2067.6057 1937.8914 105.6267 -206114.0720 17835.4558 0.0000 0.0000 34228.0863 -149234.3503 298.9224 -183462.4366 -149143.5994 298.7916 -32.1171 4.9903 558639.0465 -9.1877 -9.0385 PRESSURE: 1774400 -23.1605 -77.0771 -47.752 -77.0773 45.8727 181.747 -47.7527 181.745 -67.6634 GPRESSURE: 1774400 34.3649 -144.655 -73.7368 -124.504 55.7145 265.035 -49.3802 97.1881 -38.9474 PRESSAVG: 1774400 -19.7622 -31.8517 25.0926 -31.8518 1.97369 30.8505 25.0925 30.8506 37.1225 GPRESSAVG: 1774400 -18.3712 -31.1245 26.3668 -30.409 1.77357 32.8032 22.5488 30.6975 36.0186 TIMING: 1774400 CPU: 5298.72, 0.0029714/step Wall: 5298.72, 0.0029714/step, 2.66238 hours remaining, 206.714844 MB of memory in use. ENERGY: 1774400 715.2999 2066.7900 1921.8821 103.5678 -206050.4653 17658.3905 0.0000 0.0000 34240.1797 -149344.3552 299.0280 -183584.5349 -149243.7797 298.8493 -14.9837 17.0440 557588.2399 6.4447 6.4737 PRESSURE: 1774600 -83.8664 11.2328 27.6234 11.2336 -45.1784 124.233 27.6231 124.233 56.755 GPRESSURE: 1774600 -75.6867 29.4493 33.3725 -52.1778 -13.3985 101.71 3.93555 174.615 100.624 PRESSAVG: 1774600 6.18355 -6.72344 -0.0525555 -6.72336 -53.5519 -11.1958 -0.0526433 -11.1959 25.7266 GPRESSAVG: 1774600 5.07086 -6.89171 -0.773992 -7.52035 -53.5771 -13.4255 0.217304 -11.7475 26.2201 TIMING: 1774600 CPU: 5299.31, 0.00297274/step Wall: 5299.31, 0.00297274/step, 2.66341 hours remaining, 206.832031 MB of memory in use. ENERGY: 1774600 728.6451 2087.8907 1948.9414 101.1186 -205863.8326 17607.2039 0.0000 0.0000 34207.0587 -149182.9742 298.7388 -183390.0328 -149084.6905 298.9189 -24.0966 3.8462 557097.2921 -7.2139 -7.4287 PRESSURE: 1774800 145.566 166.321 -32.3831 166.321 -404.586 -48.888 -32.383 -48.8888 -200.181 GPRESSURE: 1774800 135.072 160.829 -49.4239 106.775 -299.618 -93.8062 -69.2645 44.2853 -185.076 PRESSAVG: 1774800 9.54498 16.7187 33.6443 16.7187 -46.6609 65.4413 33.6444 65.4413 12.4126 GPRESSAVG: 1774800 9.87286 15.4449 33.9543 18.9003 -46.8404 67.7309 32.6878 64.1648 12.0583 TIMING: 1774800 CPU: 5299.9, 0.0029681/step Wall: 5299.9, 0.0029681/step, 2.65909 hours remaining, 206.832031 MB of memory in use. ENERGY: 1774800 752.7433 2083.9209 1940.8456 117.6343 -206111.6623 17552.2334 0.0000 0.0000 34320.4792 -149343.8055 299.7293 -183664.2847 -149250.9006 299.9622 -153.0671 -116.5404 556424.5079 -8.2344 -8.3031 PRESSURE: 1775000 -28.0894 -48.1518 -46.3112 -48.1518 -11.6936 28.4326 -46.3094 28.4307 47.2741 GPRESSURE: 1775000 12.7651 -4.95206 3.34829 -14.9549 28.5231 37.7218 -54.6512 -77.1543 60.1235 PRESSAVG: 1775000 4.04712 68.2503 -3.78081 68.2503 -19.3836 18.3703 -3.78084 18.3702 8.52445 GPRESSAVG: 1775000 4.4938 69.8744 -4.79848 67.2438 -19.836 17.1521 -0.0337277 19.7507 8.5822 TIMING: 1775000 CPU: 5300.5, 0.00297294/step Wall: 5300.5, 0.00297294/step, 2.66326 hours remaining, 206.832031 MB of memory in use. ENERGY: 1775000 705.8126 2074.0748 1924.4835 109.8501 -205900.5877 17571.6165 0.0000 0.0000 34165.6668 -149349.0834 298.3773 -183514.7502 -149250.1352 298.6824 2.4970 33.8039 556409.4313 -2.2707 -2.2533 PRESSURE: 1775200 51.7895 -17.5427 -46.938 -17.541 0.32439 -179.915 -46.9378 -179.915 -242.756 GPRESSURE: 1775200 91.8456 55.4142 -81.6289 -10.3407 -20.0525 -147.022 -105.462 -168.59 -173.843 PRESSAVG: 1775200 10.6108 7.02279 76.0591 7.02279 -12.6431 -53.8271 76.0589 -53.8271 6.26122 GPRESSAVG: 1775200 9.10237 7.18027 76.5301 8.10928 -11.8063 -53.3717 73.908 -56.3897 6.45679 TIMING: 1775200 CPU: 5301.09, 0.00296271/step Wall: 5301.09, 0.00296271/step, 2.65393 hours remaining, 206.832031 MB of memory in use. ENERGY: 1775200 742.8773 2053.6905 1927.4385 117.0051 -206125.8496 17674.0280 0.0000 0.0000 34145.8784 -149464.9318 298.2044 -183610.8102 -149372.1486 298.6177 -63.5474 -34.0165 555871.6700 1.4096 1.2510 PRESSURE: 1775400 234.016 118.748 138.377 118.749 350.479 -85.8776 138.378 -85.8774 43.294 GPRESSURE: 1775400 176.976 149.189 211.786 139.849 422.6 -38.2992 199.158 -98.7702 118.475 PRESSAVG: 1775400 -8.08083 13.576 66.8965 13.5761 56.8522 -40.2086 66.8966 -40.2086 -33.1733 GPRESSAVG: 1775400 -7.30778 11.8631 66.6078 12.6076 56.4451 -40.5247 66.5857 -38.8763 -33.4037 TIMING: 1775400 CPU: 5301.69, 0.00298897/step Wall: 5301.69, 0.00298897/step, 2.67729 hours remaining, 206.832031 MB of memory in use. ENERGY: 1775400 727.9819 2077.2558 1928.7106 117.6190 -206398.3559 17910.5302 0.0000 0.0000 34105.7756 -149530.4828 297.8542 -183636.2584 -149432.4349 298.9720 209.2629 239.3503 554169.3361 5.1994 5.2445 PRESSURE: 1775600 60.6338 15.9203 -11.7771 15.9211 56.9874 66.3133 -11.7779 66.3123 152.748 GPRESSURE: 1775600 44.453 23.8371 72.772 -0.368008 104.294 61.6494 -125.652 21.1328 229.374 PRESSAVG: 1775600 -22.5994 53.8859 -10.9781 53.8859 -54.7193 -50.4441 -10.9781 -50.4442 80.8665 GPRESSAVG: 1775600 -22.5655 53.6304 -10.2363 53.7957 -54.7705 -52.9642 -11.6402 -48.507 80.7774 TIMING: 1775600 CPU: 5302.28, 0.00297255/step Wall: 5302.28, 0.00297255/step, 2.66241 hours remaining, 206.832031 MB of memory in use. ENERGY: 1775600 764.5808 2072.0993 1887.9858 112.2802 -206173.5364 17765.5628 0.0000 0.0000 34076.1695 -149494.8579 297.5957 -183571.0274 -149395.0826 298.7397 90.1231 126.0404 555030.8597 1.1826 1.1471 PRESSURE: 1775800 128.795 -88.7162 -112.87 -88.7149 -267.47 -34.9637 -112.871 -34.9635 170.425 GPRESSURE: 1775800 122.649 -125.554 -84.8547 -112.151 -224.843 41.5044 -121.747 -58.0925 236.939 PRESSAVG: 1775800 -24.8208 -31.1131 0.112638 -31.1131 -26.4227 -0.983148 0.112615 -0.983106 84.1649 GPRESSAVG: 1775800 -24.519 -31.0525 -0.439805 -31.041 -27.0684 -0.0470178 1.40224 -2.73521 84.1507 TIMING: 1775800 CPU: 5302.88, 0.00299442/step Wall: 5302.88, 0.00299442/step, 2.68184 hours remaining, 206.832031 MB of memory in use. ENERGY: 1775800 749.7764 2105.8378 1930.0258 124.2554 -206280.0575 17782.0941 0.0000 0.0000 34084.9289 -149503.1390 297.6722 -183588.0680 -149405.4548 298.3616 10.5836 44.9153 556135.0375 10.9738 10.8544 PRESSURE: 1776000 8.85206 -55.17 -37.955 -55.1703 4.66031 -53.8091 -37.9539 -53.8074 -448.68 GPRESSURE: 1776000 -19.6644 -45.2056 -64.3152 -95.7236 75.7835 -13.1906 -88.6856 -29.9726 -397.971 PRESSAVG: 1776000 0.729961 -21.0204 59.0069 -21.0204 -79.2929 6.58736 59.0069 6.58736 37.0041 GPRESSAVG: 1776000 0.659142 -21.7529 57.6942 -20.1132 -79.5522 6.5533 57.1493 7.23272 37.6443 TIMING: 1776000 CPU: 5303.48, 0.00298091/step Wall: 5303.48, 0.00298091/step, 2.66957 hours remaining, 206.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1776000 748.7227 2113.1315 1936.6903 109.7753 -206132.8428 17693.2810 0.0000 0.0000 34078.5562 -149452.6860 297.6165 -183531.2421 -149358.8525 298.4585 -145.0559 -113.9506 556550.9175 -13.8529 -13.7496 PRESSURE: 1776200 -20.5485 -121.576 61.4586 -121.574 -92.1233 6.36334 61.4579 6.36353 -159.814 GPRESSURE: 1776200 -31.0275 -93.5613 52.6972 -115.512 -42.211 -33.8949 19.0123 36.2764 -92.9933 PRESSAVG: 1776200 0.421409 -18.7406 32.7859 -18.7404 46.7247 -19.6264 32.7859 -19.6263 26.078 GPRESSAVG: 1776200 0.595944 -18.4869 35.6746 -18.6142 47.5116 -20.1389 34.1114 -19.5563 25.4313 TIMING: 1776200 CPU: 5304.07, 0.00298451/step Wall: 5304.07, 0.00298451/step, 2.67263 hours remaining, 206.832031 MB of memory in use. ENERGY: 1776200 754.4687 2097.6567 1928.8216 102.7936 -206311.7471 17698.6375 0.0000 0.0000 34438.6743 -149290.6947 300.7615 -183729.3690 -149187.8085 298.8986 -90.8286 -55.4106 557870.3037 24.4080 24.5129 LDB: ============= START OF LOAD BALANCING ============== 5307.62 LDB: ============== END OF LOAD BALANCING =============== 5307.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5307.62 LDB: ============= START OF LOAD BALANCING ============== 5307.92 LDB: Largest compute 4773 load 0.027889 is 23.6% of average load 0.118114 LDB: Average compute 0.001725 is 1.5% of average load 0.118114 LDB: TIME 5307.92 LOAD: AVG 0.118114 MAX 0.212531 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.219 MB LDB: TIME 5307.92 LOAD: AVG 0.118114 MAX 0.212531 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.219 MB LDB: TIME 5307.92 LOAD: AVG 0.118114 MAX 0.212531 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.219 MB LDB: ============== END OF LOAD BALANCING =============== 5307.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5307.93 PRESSURE: 1776400 13.617 15.8354 59.8528 15.8347 20.3128 9.11141 59.852 9.11185 292.11 GPRESSURE: 1776400 95.2108 37.0745 89.3703 50.0894 76.9794 37.1652 43.6799 25.6326 255.488 PRESSAVG: 1776400 33.6547 -27.3278 24.5298 -27.3277 -6.67927 25.6279 24.5298 25.6278 -24.7155 GPRESSAVG: 1776400 33.1605 -26.6136 23.2611 -29.0422 -7.09827 27.5453 25.0759 24.0241 -23.7081 TIMING: 1776400 CPU: 5304.68, 0.00302486/step Wall: 5304.68, 0.00302486/step, 2.7086 hours remaining, 207.730469 MB of memory in use. ENERGY: 1776400 768.8701 2050.5738 1957.1005 122.5022 -206487.0160 17933.9645 0.0000 0.0000 34498.6144 -149155.3906 301.2850 -183654.0050 -149066.2882 300.2213 108.6799 142.5592 556332.9938 0.7533 0.7847 PRESSURE: 1776600 -161.36 -119.117 88.1637 -119.117 -210.847 -167.584 88.1648 -167.585 -75.9971 GPRESSURE: 1776600 -123.062 -97.4355 182.282 -72.1523 -188.421 -188.378 106.858 -180.294 -36.733 PRESSAVG: 1776600 -12.2241 19.6262 -7.6699 19.6262 -59.386 -37.2622 -7.66989 -37.2622 62.1436 GPRESSAVG: 1776600 -11.6901 20.1772 -7.52855 21.0827 -59.0408 -37.7779 -7.81345 -36.6388 61.3553 TIMING: 1776600 CPU: 5305.28, 0.00297643/step Wall: 5305.28, 0.00297643/step, 2.66506 hours remaining, 207.730469 MB of memory in use. ENERGY: 1776600 762.2094 2104.6270 1923.7815 116.5502 -205866.8174 17625.8054 0.0000 0.0000 34118.4685 -149215.3753 297.9651 -183333.8438 -149118.3316 299.4020 -149.4014 -116.0720 557740.7471 -3.1555 -3.1252 PRESSURE: 1776800 -131.68 58.5167 89.9363 58.5172 -214.862 6.09824 89.9361 6.09999 -112.574 GPRESSURE: 1776800 -49.1101 89.2026 87.8589 -35.7935 -174.896 -53.9747 117.17 -18.019 -136.699 PRESSAVG: 1776800 -7.57959 50.2277 6.69067 50.2278 26.2327 18.1623 6.69064 18.1623 -10.7096 GPRESSAVG: 1776800 -6.89213 50.0359 5.77659 48.6094 25.8684 16.9441 6.96776 19.4233 -11.0519 TIMING: 1776800 CPU: 5305.87, 0.00298639/step Wall: 5305.87, 0.00298639/step, 2.67381 hours remaining, 207.730469 MB of memory in use. ENERGY: 1776800 748.2373 2043.2246 1925.5133 111.3060 -205831.2662 17611.9826 0.0000 0.0000 34274.9805 -149116.0220 299.3319 -183391.0025 -149014.8673 299.7139 -153.0388 -120.2351 558508.2990 2.6478 2.6415 PRESSURE: 1777000 -198.965 -95.6582 96.326 -95.6569 -49.8777 66.9287 96.3263 66.9272 -15.368 GPRESSURE: 1777000 -226.293 -199.553 90.4553 -35.2312 16.3462 78.6302 150.891 40.9605 45.1469 PRESSAVG: 1777000 61.1135 -35.4207 75.043 -35.4207 -30.4704 -9.78885 75.0431 -9.78881 -27.8815 GPRESSAVG: 1777000 59.7735 -35.359 75.163 -35.9549 -29.6627 -9.28952 76.3191 -10.0084 -27.1263 TIMING: 1777000 CPU: 5306.47, 0.00297489/step Wall: 5306.47, 0.00297489/step, 2.66336 hours remaining, 207.730469 MB of memory in use. ENERGY: 1777000 765.3527 2111.9789 1951.1002 106.8168 -205885.9424 17627.3828 0.0000 0.0000 34118.0651 -149205.2458 297.9615 -183323.3109 -149112.6065 299.1887 -88.0703 -54.9332 556891.4150 0.9205 0.9948 PRESSURE: 1777200 87.6755 53.6428 44.4928 53.6412 68.1431 -91.8204 44.4927 -91.8194 152.307 GPRESSURE: 1777200 87.1082 162.527 78.3396 -85.2963 93.0415 -45.0382 -31.4754 -99.8993 217.236 PRESSAVG: 1777200 -17.9148 11.6829 18.5696 11.6828 40.7182 -4.54665 18.5696 -4.5467 -10.0689 GPRESSAVG: 1777200 -17.3655 11.7981 20.4634 11.7994 40.3793 -3.98351 17.8529 -5.17828 -10.0464 TIMING: 1777200 CPU: 5307.06, 0.00297273/step Wall: 5307.06, 0.00297273/step, 2.66125 hours remaining, 207.730469 MB of memory in use. ENERGY: 1777200 735.7721 2150.7244 1933.3756 118.1197 -206249.8171 17969.8410 0.0000 0.0000 34089.8376 -149252.1467 297.7150 -183341.9843 -149157.5452 298.8620 102.7086 132.4618 557060.9670 4.2448 4.3225 PRESSURE: 1777400 108.506 84.8035 212.328 84.803 -31.2194 -10.9969 212.326 -10.9958 291.383 GPRESSURE: 1777400 151.298 53.1808 168.146 120.687 41.4399 22.513 234.817 -26.4251 253.278 PRESSAVG: 1777400 33.0332 32.0817 95.4935 32.0817 -32.3652 4.89558 95.4935 4.89558 15.9639 GPRESSAVG: 1777400 34.0317 31.7383 91.9939 33.9049 -33.2229 4.78316 95.5774 5.76947 15.4951 TIMING: 1777400 CPU: 5307.66, 0.00297762/step Wall: 5307.66, 0.00297762/step, 2.66546 hours remaining, 207.730469 MB of memory in use. ENERGY: 1777400 732.6441 2083.6704 1928.6772 109.4201 -206518.6397 17942.9892 0.0000 0.0000 34407.5820 -149313.6567 300.4900 -183721.2387 -149218.1448 299.0771 122.8899 148.6718 556303.0544 5.5440 5.4346 PRESSURE: 1777600 -63.9056 5.34352 17.2071 5.34383 -131.804 41.4267 17.2076 41.4274 75.455 GPRESSURE: 1777600 -14.3682 -26.8726 -51.1083 121.205 -93.3104 100.147 136.685 61.6514 92.4547 PRESSAVG: 1777600 -28.0957 -89.1866 15.6311 -89.1867 -8.44991 -1.9283 15.6311 -1.92833 77.0323 GPRESSAVG: 1777600 -28.1969 -89.9045 17.8244 -88.678 -8.72629 -1.94781 15.4909 -2.36652 76.933 TIMING: 1777600 CPU: 5308.26, 0.00299291/step Wall: 5308.26, 0.00299291/step, 2.67899 hours remaining, 207.730469 MB of memory in use. ENERGY: 1777600 735.6529 2124.8359 1929.4532 116.9101 -206318.6902 17875.9480 0.0000 0.0000 34205.9229 -149329.9672 298.7288 -183535.8901 -149238.8994 299.7374 -40.0849 -5.0747 557112.6865 13.4956 13.3366 PRESSURE: 1777800 -126.015 -7.53083 238.373 -7.53162 -121.44 -79.9433 238.373 -79.943 34.9713 GPRESSURE: 1777800 -74.706 44.5154 292.468 -5.71947 -99.6267 22.3455 256.174 -51.9199 41.1949 PRESSAVG: 1777800 -11.9526 -31.8244 -0.583808 -31.8245 -59.3329 -23.1919 -0.583703 -23.1919 87.5851 GPRESSAVG: 1777800 -11.1949 -31.0058 0.972648 -32.8842 -58.461 -24.9082 -0.785915 -21.1399 86.1281 TIMING: 1777800 CPU: 5308.86, 0.00302166/step Wall: 5308.86, 0.00302166/step, 2.70456 hours remaining, 207.730469 MB of memory in use. ENERGY: 1777800 689.7351 2141.1277 1919.7468 105.6973 -205907.3881 17636.1774 0.0000 0.0000 34191.2597 -149223.6441 298.6008 -183414.9038 -149124.5575 298.8813 -70.8279 -44.3793 558423.4565 5.4332 5.4907 PRESSURE: 1778000 51.5567 115.623 -56.2728 115.622 -48.8623 75.3048 -56.2729 75.3061 150.723 GPRESSURE: 1778000 -35.5499 155.318 -119.415 61.9648 57.4821 55.9474 -61.2217 117.324 223.441 PRESSAVG: 1778000 -104.985 19.6288 54.8942 19.6287 24.4373 -12.7833 54.8941 -12.7833 69.4505 GPRESSAVG: 1778000 -105.673 18.0886 55.1484 18.2513 25.5542 -10.3376 54.0586 -15.2607 69.2097 TIMING: 1778000 CPU: 5309.46, 0.00301178/step Wall: 5309.46, 0.00301178/step, 2.69554 hours remaining, 207.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1778000 745.3975 2093.3648 1941.6533 114.7919 -205895.8866 17742.3686 0.0000 0.0000 34128.0902 -149130.2203 298.0491 -183258.3105 -149036.8948 299.5086 51.1390 81.7910 559157.3240 -3.6992 -3.6363 PRESSURE: 1778200 -101.151 -19.5051 -70.2206 -19.506 -489.461 150.386 -70.2216 150.388 -43.9328 GPRESSURE: 1778200 -32.0881 -36.4009 -113.389 -48.7675 -469.371 173.08 -105.136 180.866 -33.8765 PRESSAVG: 1778200 -32.2161 -3.53 24.5471 -3.53007 57.2576 -9.76348 24.5471 -9.76337 -8.15422 GPRESSAVG: 1778200 -30.0654 -3.18365 23.9745 -2.23816 54.8967 -9.9774 24.2174 -8.74793 -7.75926 TIMING: 1778200 CPU: 5310.07, 0.00304936/step Wall: 5310.07, 0.00304936/step, 2.72901 hours remaining, 207.730469 MB of memory in use. ENERGY: 1778200 791.5497 2039.6451 1937.6901 97.4979 -205711.1460 17415.8393 0.0000 0.0000 34122.3024 -149306.6214 297.9986 -183428.9238 -149211.6320 299.3340 -211.5150 -178.4453 558009.7452 5.6291 5.6907 PRESSURE: 1778400 -1.35195 9.81333 56.896 9.81513 1.55487 -84.8039 56.8963 -84.8047 -256.641 GPRESSURE: 1778400 89.7248 -13.3835 124.058 68.0493 19.0154 -128.742 -36.9635 -95.8294 -271.003 PRESSAVG: 1778400 -10.4087 -38.8495 17.1979 -38.8495 -8.47832 -11.0091 17.1979 -11.009 -4.86138 GPRESSAVG: 1778400 -12.9521 -38.6109 17.9149 -38.8191 -6.52397 -10.9612 16.9605 -8.87042 -3.86033 TIMING: 1778400 CPU: 5310.68, 0.00303018/step Wall: 5310.68, 0.00303018/step, 2.71167 hours remaining, 207.730469 MB of memory in use. ENERGY: 1778400 781.1410 2067.1334 1938.2064 109.8883 -206131.4965 17756.6195 0.0000 0.0000 34259.1159 -149219.3920 299.1934 -183478.5079 -149128.1323 299.5469 -85.4792 -54.0876 557680.1402 -7.9161 -7.7788 PRESSURE: 1778600 88.496 103.568 -116.869 103.567 152.447 -66.4343 -116.869 -66.4334 71.2856 GPRESSURE: 1778600 74.4476 63.3197 -114.355 112.26 197.151 -59.2954 -169.531 12.4259 130.941 PRESSAVG: 1778600 -10.9906 -21.1554 51.326 -21.1553 59.5804 -44.0124 51.326 -44.0124 -19.4947 GPRESSAVG: 1778600 -10.4379 -21.6579 49.6644 -20.8118 59.4067 -44.9515 53.4542 -46.4319 -19.4667 TIMING: 1778600 CPU: 5311.28, 0.00299565/step Wall: 5311.28, 0.00299565/step, 2.68061 hours remaining, 207.730469 MB of memory in use. ENERGY: 1778600 740.6238 2046.8836 1917.5992 113.5116 -206302.9586 18112.3774 0.0000 0.0000 34195.7389 -149176.2240 298.6399 -183371.9629 -149072.6898 299.5044 104.0762 134.1799 557593.0101 9.6984 9.8340 PRESSURE: 1778800 -178.743 199.418 -38.2345 199.418 -193.408 117.552 -38.2328 117.552 2.36365 GPRESSURE: 1778800 -144.856 133.809 61.548 127.462 -162.257 87.5825 -65.0746 89.5015 24.6843 PRESSAVG: 1778800 -34.6764 17.8382 12.8456 17.8382 39.0642 4.03788 12.8457 4.03783 48.3147 GPRESSAVG: 1778800 -34.1304 19.0829 13.9307 15.6259 39.5914 6.00478 13.1591 3.56307 47.1562 TIMING: 1778800 CPU: 5311.88, 0.00298768/step Wall: 5311.88, 0.00298768/step, 2.67331 hours remaining, 207.730469 MB of memory in use. ENERGY: 1778800 767.5263 2043.9807 1901.6003 102.1297 -205970.0193 17693.1220 0.0000 0.0000 34166.9715 -149294.6887 298.3887 -183461.6602 -149196.1857 299.4781 -123.2623 -94.1431 557804.3438 17.5675 17.5390 PRESSURE: 1779000 -299.979 -199.275 35.077 -199.276 -42.1419 174.039 35.0776 174.04 -152.637 GPRESSURE: 1779000 -282.923 -141.645 -16.0779 -171.083 5.20406 255.703 -58.0931 132.413 -110.418 PRESSAVG: 1779000 2.78225 29.2862 3.25785 29.2861 24.3815 14.7649 3.25797 14.7648 5.64551 GPRESSAVG: 1779000 3.66513 29.651 3.61239 30.5691 22.3644 14.3607 1.64082 15.909 6.87892 TIMING: 1779000 CPU: 5312.48, 0.00299869/step Wall: 5312.48, 0.00299869/step, 2.683 hours remaining, 207.730469 MB of memory in use. ENERGY: 1779000 723.9255 2040.5168 1944.0670 117.4192 -205710.0626 17357.2428 0.0000 0.0000 34443.0707 -149083.8207 300.7999 -183526.8914 -148989.1190 299.3719 -164.9193 -129.3790 557462.8940 10.9364 10.9695 PRESSURE: 1779200 -17.6973 100.537 70.3755 100.54 109.109 -119.127 70.3759 -119.125 -66.9808 GPRESSURE: 1779200 10.562 108.243 67.0138 40.8135 149.365 -235.007 2.1695 -91.8403 -40.984 PRESSAVG: 1779200 -4.99729 10.7345 -13.3794 10.7345 49.705 -34.7134 -13.3795 -34.7135 -43.4445 GPRESSAVG: 1779200 -5.29518 12.163 -13.3756 9.12199 51.132 -35.1776 -13.1219 -33.2102 -44.8082 TIMING: 1779200 CPU: 5313.07, 0.00298284/step Wall: 5313.07, 0.00298283/step, 2.66864 hours remaining, 207.730469 MB of memory in use. ENERGY: 1779200 753.4986 2041.3930 1887.9779 108.6242 -205677.6302 17697.4369 0.0000 0.0000 34236.2996 -148952.4000 298.9941 -183188.6996 -148859.0302 299.9601 8.1437 39.6478 558850.9097 0.4211 0.3429 PRESSURE: 1779400 63.8751 -47.2739 -44.1287 -47.2745 386.697 -179.435 -44.1272 -179.435 -90.1824 GPRESSURE: 1779400 81.5127 -62.717 -61.4129 -133.616 360.806 -164.716 25.851 -221.131 7.95864 PRESSAVG: 1779400 -1.85726 -28.3751 -40.3665 -28.3751 30.2351 -56.4889 -40.3665 -56.489 -16.0471 GPRESSAVG: 1779400 -2.36653 -29.0637 -41.5162 -27.8341 30.1252 -57.872 -39.2952 -57.1375 -15.1594 TIMING: 1779400 CPU: 5313.67, 0.00298466/step Wall: 5313.67, 0.00298466/step, 2.67011 hours remaining, 207.730469 MB of memory in use. ENERGY: 1779400 746.8362 2051.0377 1949.7178 109.5389 -206415.6147 18215.0086 0.0000 0.0000 34646.8652 -148696.6103 302.5797 -183343.4755 -148609.0421 300.8618 120.1300 150.0924 558307.0594 4.1103 4.1998 PRESSURE: 1779600 -55.8507 -47.1255 11.1677 -47.1262 20.2735 55.1047 11.1687 55.1038 196.214 GPRESSURE: 1779600 0.53893 -34.8916 21.9932 42.1601 30.9989 48.7567 -62.2079 39.7358 228.782 PRESSAVG: 1779600 -31.8872 -33.9027 -55.5961 -33.9027 39.1167 -29.1229 -55.5959 -29.1228 6.97969 GPRESSAVG: 1779600 -31.1383 -35.0712 -54.0983 -34.0842 37.6277 -27.3252 -57.2258 -30.1422 7.33331 TIMING: 1779600 CPU: 5314.27, 0.00300012/step Wall: 5314.27, 0.00300012/step, 2.68378 hours remaining, 207.730469 MB of memory in use. ENERGY: 1779600 733.8576 2100.0739 1925.1397 126.2621 -206019.8637 18002.2714 0.0000 0.0000 34401.5185 -148730.7407 300.4370 -183132.2591 -148637.7543 301.3966 53.5455 86.7734 560228.4560 4.7364 4.6076 PRESSURE: 1779800 -59.5213 80.6701 -232.357 80.6712 -144.796 -139.938 -232.357 -139.938 -77.7442 GPRESSURE: 1779800 -36.5786 53.022 -182.943 61.905 -113.504 -257.317 -319.063 -139.471 -44.5563 PRESSAVG: 1779800 -21.0895 -5.60427 -22.1051 -5.6043 3.38931 10.702 -22.105 10.702 25.1301 GPRESSAVG: 1779800 -21.6246 -5.61466 -22.6537 -4.14829 2.71111 10.1138 -23.837 12.1403 25.9102 TIMING: 1779800 CPU: 5314.87, 0.00301362/step Wall: 5314.87, 0.00301362/step, 2.69568 hours remaining, 207.730469 MB of memory in use. ENERGY: 1779800 758.2854 2148.5732 1926.6461 109.0122 -205925.8468 17671.6487 0.0000 0.0000 34618.7531 -148692.9281 302.3342 -183311.6813 -148598.4388 300.7060 -94.0205 -64.8798 558740.8085 2.4766 2.3323 PRESSURE: 1780000 -78.0091 -4.0965 -18.0724 -4.09807 -59.4967 72.0915 -18.0728 72.0908 57.8652 GPRESSURE: 1780000 4.01304 -2.79013 -57.0213 -50.3604 -54.6781 20.9759 22.83 228.52 69.8093 PRESSAVG: 1780000 -74.1222 2.13907 65.6871 2.13905 -8.32658 -17.5112 65.6871 -17.5113 72.9053 GPRESSAVG: 1780000 -75.1486 0.449181 65.4681 3.71735 -7.29829 -17.0725 67.5928 -19.6466 72.5882 TIMING: 1780000 CPU: 5315.47, 0.00299434/step Wall: 5315.47, 0.00299434/step, 2.67827 hours remaining, 207.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1780000 731.0747 2087.3491 1914.8840 105.2939 -205603.9881 17610.7788 0.0000 0.0000 34431.2857 -148723.3218 300.6970 -183154.6076 -148632.5622 300.9667 -26.5469 6.3814 558209.3192 -3.1811 -3.2862 PRESSURE: 1780200 -285.523 119.816 36.6776 119.818 -22.7936 57.7787 36.6775 57.7782 -37.1078 GPRESSURE: 1780200 -226.953 84.8644 19.5549 234.289 42.4048 -41.0595 79.2694 144.989 -65.1238 PRESSAVG: 1780200 6.44141 45.5014 29.6062 45.5016 -11.697 29.9905 29.6062 29.9905 22.6277 GPRESSAVG: 1780200 6.92439 46.8305 29.3208 43.9571 -12.2143 27.3835 29.1814 33.1877 22.5613 TIMING: 1780200 CPU: 5316.07, 0.00300263/step Wall: 5316.07, 0.00300263/step, 2.68552 hours remaining, 207.730469 MB of memory in use. ENERGY: 1780200 759.6159 2115.7960 1919.1488 105.9752 -205896.0880 17696.8389 0.0000 0.0000 34509.1861 -148789.5270 301.3773 -183298.7131 -148698.1683 301.3538 -115.1414 -83.2241 558949.7425 5.7907 5.7571 LDB: ============= START OF LOAD BALANCING ============== 5319.62 LDB: ============== END OF LOAD BALANCING =============== 5319.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5319.62 LDB: ============= START OF LOAD BALANCING ============== 5319.92 LDB: Largest compute 4773 load 0.028401 is 24.0% of average load 0.118152 LDB: Average compute 0.001726 is 1.5% of average load 0.118152 LDB: TIME 5319.92 LOAD: AVG 0.118152 MAX 0.211136 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 5319.92 LOAD: AVG 0.118152 MAX 0.211136 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: TIME 5319.92 LOAD: AVG 0.118152 MAX 0.211136 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5319.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5319.93 PRESSURE: 1780400 8.95361 65.4712 -1.68375 65.4716 -235.873 153.727 -1.68401 153.726 -24.9625 GPRESSURE: 1780400 49.2859 134.994 -27.5718 17.9227 -203.992 95.3106 120.983 137.438 3.3203 PRESSAVG: 1780400 22.4847 79.3206 13.5638 79.3205 -68.4213 25.8777 13.5637 25.8777 33.3901 GPRESSAVG: 1780400 22.8159 79.0819 11.7689 79.854 -67.9745 28.9315 15.6463 23.0321 33.3256 TIMING: 1780400 CPU: 5316.68, 0.00304734/step Wall: 5316.68, 0.00304734/step, 2.72533 hours remaining, 207.484375 MB of memory in use. ENERGY: 1780400 732.3380 2136.3802 1968.5851 102.2858 -205847.9006 17727.3056 0.0000 0.0000 34406.3042 -148774.7016 300.4788 -183181.0058 -148677.5353 300.3312 -83.9605 -50.4619 560201.2993 -4.1822 -3.9443 PRESSURE: 1780600 39.172 -203.718 57.5751 -203.718 -234.558 83.0117 57.5746 83.0112 -339.152 GPRESSURE: 1780600 27.1492 -210.598 53.0142 -232.727 -216.35 80.0325 -38.3624 94.2667 -239.795 PRESSAVG: 1780600 15.6951 9.81604 20.4184 9.81603 -41.0919 72.7357 20.4185 72.7357 -3.71935 GPRESSAVG: 1780600 14.9297 9.70348 22.9301 8.00102 -39.7615 70.9445 18.1036 74.1725 -4.30456 TIMING: 1780600 CPU: 5317.28, 0.00299386/step Wall: 5317.28, 0.00299386/step, 2.67734 hours remaining, 207.554688 MB of memory in use. ENERGY: 1780600 769.6597 2140.8533 1911.7109 121.5923 -205790.6701 17719.7026 0.0000 0.0000 34413.1241 -148714.0271 300.5384 -183127.1512 -148612.7136 300.8564 -178.1793 -142.9985 558801.7922 -9.7054 -9.7121 PRESSURE: 1780800 55.1149 39.9213 113.157 39.9219 -285.432 29.2315 113.158 29.2332 -267.216 GPRESSURE: 1780800 120.546 -9.63813 113.012 53.8518 -284.919 28.0737 61.8466 -42.8591 -224.535 PRESSAVG: 1780800 -5.96002 -4.87024 -7.21148 -4.87026 44.2906 16.6712 -7.21159 16.6712 -17.8965 GPRESSAVG: 1780800 -5.48724 -4.52978 -7.10378 -2.08769 42.95 18.2331 -6.79465 16.2899 -17.1368 TIMING: 1780800 CPU: 5317.88, 0.00299568/step Wall: 5317.88, 0.00299568/step, 2.67881 hours remaining, 207.757812 MB of memory in use. ENERGY: 1780800 793.7722 2063.8106 1949.8686 139.3376 -206009.0056 17694.6574 0.0000 0.0000 34575.0287 -148792.5306 301.9523 -183367.5592 -148688.6147 301.0331 -165.8446 -129.6363 559051.4165 6.8114 6.7753 PRESSURE: 1781000 -36.8474 79.6068 105.164 79.6072 -9.63316 -73.3346 105.164 -73.3346 25.6835 GPRESSURE: 1781000 -7.00126 94.0507 136.831 0.49377 67.9549 -33.6963 158.574 -133.73 27.869 PRESSAVG: 1781000 -3.90085 50.195 54.7754 50.195 -16.7407 15.0804 54.7754 15.0805 36.6414 GPRESSAVG: 1781000 -3.27121 49.4028 53.8691 48.4738 -16.9618 15.2847 53.9082 12.1298 36.402 TIMING: 1781000 CPU: 5318.48, 0.00300742/step Wall: 5318.48, 0.00300742/step, 2.68914 hours remaining, 207.757812 MB of memory in use. ENERGY: 1781000 739.5062 2149.9946 1927.3342 124.1289 -205846.3883 17714.1519 0.0000 0.0000 34613.9990 -148577.2734 302.2927 -183191.2724 -148475.0359 301.4165 -6.9323 29.6075 558600.5190 5.3333 5.3896 PRESSURE: 1781200 -63.2747 124.151 -70.3136 124.151 -92.5368 108.657 -70.3139 108.657 151.173 GPRESSURE: 1781200 -95.125 180.002 -3.29498 152.59 38.724 154.614 -102.357 114.498 159.954 PRESSAVG: 1781200 -48.8357 44.1816 -46.2648 44.1816 -26.3162 -20.2021 -46.2648 -20.2021 84.3786 GPRESSAVG: 1781200 -50.9387 45.0693 -45.341 46.2753 -25.0873 -20.7835 -44.798 -19.8217 85.3242 TIMING: 1781200 CPU: 5319.08, 0.00300391/step Wall: 5319.08, 0.00300391/step, 2.68583 hours remaining, 207.757812 MB of memory in use. ENERGY: 1781200 737.0271 2111.0518 1925.0605 96.9500 -206028.0220 17901.9316 0.0000 0.0000 34614.3412 -148641.6598 302.2957 -183256.0010 -148544.2044 301.3527 -1.5463 34.5175 558956.2242 3.0756 3.0994 PRESSURE: 1781400 82.4292 -27.724 -11.0623 -27.7241 -81.5923 14.6775 -11.0625 14.6779 5.8119 GPRESSURE: 1781400 106.688 -13.5835 -36.1996 -7.91921 -60.4475 -7.10886 73.1425 -17.8932 57.6243 PRESSAVG: 1781400 -39.5564 4.18016 17.8375 4.18008 13.7087 33.2207 17.8375 33.2207 9.40396 GPRESSAVG: 1781400 -37.7206 2.66254 17.1133 2.89382 12.309 33.7008 18.2459 34.4916 8.81952 TIMING: 1781400 CPU: 5319.68, 0.00298536/step Wall: 5319.68, 0.00298536/step, 2.66908 hours remaining, 207.757812 MB of memory in use. ENERGY: 1781400 720.7205 2106.6671 1952.0369 116.6577 -205901.9210 17756.4417 0.0000 0.0000 34640.4166 -148608.9805 302.5234 -183249.3971 -148511.6795 301.7781 2.2163 34.6218 558420.0329 -5.4812 -5.5307 PRESSURE: 1781600 -249.24 -80.3274 -93.5751 -80.3288 -209.724 -7.41562 -93.5764 -7.41342 43.7575 GPRESSURE: 1781600 -185.579 -42.3745 -19.9455 -122.076 -155.467 -2.39002 -108.99 45.5999 24.3584 PRESSAVG: 1781600 11.0138 8.34504 -61.133 8.34508 -79.0429 12.6482 -61.1331 12.6481 100.68 GPRESSAVG: 1781600 11.2309 8.42768 -60.9663 9.57745 -79.784 10.4886 -60.7385 13.9973 100.874 TIMING: 1781600 CPU: 5320.27, 0.00297192/step Wall: 5320.27, 0.00297192/step, 2.65689 hours remaining, 207.824219 MB of memory in use. ENERGY: 1781600 769.1467 2093.2736 1946.0936 122.8831 -205592.6134 17502.9000 0.0000 0.0000 34638.0076 -148520.3088 302.5023 -183158.3164 -148420.9838 301.7557 -138.4020 -105.5623 559055.5674 10.8836 10.7735 PRESSURE: 1781800 -21.6465 54.663 28.3367 54.6619 -76.6754 -25.6781 28.3359 -25.6782 18.0684 GPRESSURE: 1781800 30.6613 104.356 9.74242 86.2073 -14.0186 26.6961 2.25798 -38.2891 -3.8798 PRESSAVG: 1781800 46.1377 -5.78229 18.2555 -5.78225 -52.8702 -9.23354 18.2555 -9.23345 25.0449 GPRESSAVG: 1781800 45.5802 -5.15436 17.3271 -6.4191 -52.189 -6.08124 16.3344 -8.8655 24.9953 TIMING: 1781800 CPU: 5320.87, 0.00297735/step Wall: 5320.87, 0.00297735/step, 2.66158 hours remaining, 207.824219 MB of memory in use. ENERGY: 1781800 772.1683 2110.3798 1922.6263 113.4691 -205899.8448 17891.8165 0.0000 0.0000 34486.6160 -148602.7689 301.1802 -183089.3848 -148504.0440 301.0192 -26.7512 4.2543 557571.2010 6.1041 6.1288 PRESSURE: 1782000 47.6515 123.737 34.3964 123.736 26.6486 -16.8905 34.3963 -16.8913 33.1825 GPRESSURE: 1782000 87.8981 164.034 62.1627 9.13874 55.849 8.45693 20.4054 -86.6236 62.3465 PRESSAVG: 1782000 17.207 -21.6167 9.98752 -21.6167 12.898 33.6343 9.98748 33.6343 9.09863 GPRESSAVG: 1782000 17.3294 -21.5265 11.2553 -23.8089 12.7896 33.2126 11.948 31.3206 8.9517 TIMING: 1782000 CPU: 5321.46, 0.00298357/step Wall: 5321.46, 0.00298356/step, 2.66698 hours remaining, 207.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1782000 751.0683 2101.7405 1972.9873 117.7078 -205635.0098 17633.6198 0.0000 0.0000 34378.5656 -148679.3205 300.2366 -183057.8861 -148582.2333 301.7315 35.8275 68.6979 557200.0750 13.0679 13.0236 PRESSURE: 1782200 -228.71 10.7599 122.351 10.7598 389.245 -70.628 122.352 -70.6276 24.1868 GPRESSURE: 1782200 -230.883 51.4302 36.833 -16.9153 434.455 -115.459 123.226 -70.5735 79.8286 PRESSAVG: 1782200 11.004 3.42638 9.87176 3.42636 35.1445 16.2672 9.87181 16.2672 -64.6221 GPRESSAVG: 1782200 9.96904 4.00177 9.80329 4.72855 37.7635 15.1273 8.52436 19.0598 -65.6557 TIMING: 1782200 CPU: 5322.06, 0.0029871/step Wall: 5322.06, 0.0029871/step, 2.66997 hours remaining, 207.824219 MB of memory in use. ENERGY: 1782200 759.7698 2137.7577 1938.9431 105.6968 -205941.1726 17824.8890 0.0000 0.0000 34288.1948 -148885.9215 299.4473 -183174.1163 -148784.7963 300.7734 61.5740 94.4667 557565.8446 -6.1579 -5.9744 PRESSURE: 1782400 -21.1191 105.914 220.282 105.914 -54.5024 24.4201 220.282 24.42 -235.268 GPRESSURE: 1782400 41.5964 98.6821 211.558 116.268 -54.4389 -42.0616 189.805 18.4745 -193.905 PRESSAVG: 1782400 0.507839 11.7784 16.3442 11.7784 60.9213 -41.9831 16.3443 -41.983 -41.5905 GPRESSAVG: 1782400 0.675479 11.8953 14.1937 11.5597 59.7745 -41.99 16.7535 -41.9274 -40.6705 TIMING: 1782400 CPU: 5322.67, 0.00302934/step Wall: 5322.67, 0.00302934/step, 2.70756 hours remaining, 207.824219 MB of memory in use. ENERGY: 1782400 777.9490 2080.4994 1930.3968 119.0158 -206286.0983 17748.8587 0.0000 0.0000 34538.6688 -149090.7097 301.6348 -183629.3786 -148997.1292 299.7424 -103.6300 -68.9159 556271.8299 6.6129 6.5932 PRESSURE: 1782600 -20.9518 -28.0672 -51.3939 -28.0668 203.413 136.541 -51.3958 136.542 69.1286 GPRESSURE: 1782600 34.1461 -44.4012 -66.9622 -114.479 234.531 104.864 -75.1665 135.929 93.5464 PRESSAVG: 1782600 -90.3051 0.214269 34.7016 0.214334 102.588 -14.3002 34.7015 -14.3001 5.66534 GPRESSAVG: 1782600 -89.2779 -1.75362 34.205 0.986396 102.511 -12.3501 35.2717 -15.277 4.64294 TIMING: 1782600 CPU: 5323.27, 0.00299429/step Wall: 5323.27, 0.00299429/step, 2.67606 hours remaining, 207.824219 MB of memory in use. ENERGY: 1782600 719.6947 2072.4660 1947.1991 126.6268 -205891.8316 17688.4667 0.0000 0.0000 34295.9640 -149041.4144 299.5152 -183337.3784 -148950.6256 299.7082 83.8632 120.7410 557813.5828 5.9826 5.9586 PRESSURE: 1782800 35.8584 -13.4615 110.125 -13.4611 149.095 -127.721 110.126 -127.722 41.3644 GPRESSURE: 1782800 39.9878 53.3161 70.818 -20.1033 188.821 -59.5272 131.248 -185.441 96.0209 PRESSAVG: 1782800 -75.5873 -36.0036 -7.39222 -36.0036 67.3544 0.124481 -7.39216 0.124616 2.95534 GPRESSAVG: 1782800 -75.791 -36.2583 -5.8291 -36.0937 66.3267 -0.785909 -7.90714 -0.0319945 3.62134 TIMING: 1782800 CPU: 5323.86, 0.00299053/step Wall: 5323.86, 0.00299053/step, 2.67253 hours remaining, 207.824219 MB of memory in use. ENERGY: 1782800 726.6301 2111.2186 1944.3202 111.5670 -205893.5190 17717.9607 0.0000 0.0000 34421.9167 -148859.9057 300.6152 -183281.8224 -148765.2642 300.5707 75.4394 108.2765 558296.9324 -1.7592 -1.9477 PRESSURE: 1783000 -234.4 83.9061 152.725 83.9062 -1.35766 -34.6581 152.724 -34.6575 164.932 GPRESSURE: 1783000 -147.766 139.086 162.001 23.9558 14.7647 2.92415 103.428 -43.6849 155.78 PRESSAVG: 1783000 7.56194 -10.9761 33.4649 -10.976 -27.8743 -2.00303 33.465 -2.00297 24.9061 GPRESSAVG: 1783000 7.29733 -8.39596 33.4808 -12.4835 -28.1915 -1.59236 34.5395 -2.68145 25.5806 TIMING: 1783000 CPU: 5324.46, 0.00299297/step Wall: 5324.46, 0.00299297/step, 2.67455 hours remaining, 207.824219 MB of memory in use. ENERGY: 1783000 819.0316 2092.4940 1914.5050 114.7737 -205564.9482 17562.2051 0.0000 0.0000 34339.6120 -148722.3267 299.8964 -183061.9388 -148623.1677 300.7869 -23.6085 7.5929 557219.1175 1.5313 1.5621 PRESSURE: 1783200 -267.022 -4.80701 -37.3256 -4.80777 -158.447 68.713 -37.3254 68.7149 -0.920516 GPRESSURE: 1783200 -248.535 -14.8453 32.5724 -26.14 -123.419 70.7643 -88.9451 115.783 30.6455 PRESSAVG: 1783200 -70.6836 -49.5531 -31.427 -49.553 14.2805 0.802535 -31.427 0.802587 64.08 GPRESSAVG: 1783200 -71.7682 -49.4485 -32.088 -49.2841 15.7271 -0.130193 -30.483 1.11524 63.8328 TIMING: 1783200 CPU: 5325.07, 0.00301337/step Wall: 5325.07, 0.00301337/step, 2.69261 hours remaining, 207.824219 MB of memory in use. ENERGY: 1783200 813.7328 2048.4626 1918.8554 116.9780 -205709.2090 17595.9719 0.0000 0.0000 34402.4815 -148812.7268 300.4454 -183215.2083 -148717.0981 300.8937 -142.1299 -113.7697 557197.7964 2.5590 2.5972 PRESSURE: 1783400 230.472 -89.621 -6.46979 -89.62 125.211 -127.646 -6.47042 -127.648 -138.654 GPRESSURE: 1783400 216.358 -109.391 67.3303 -48.1606 179.06 -42.1558 -13.9352 -148.807 -86.9876 PRESSAVG: 1783400 40.4916 -25.5506 -21.831 -25.5507 53.9261 -6.115 -21.831 -6.11493 -55.5176 GPRESSAVG: 1783400 41.1635 -26.7029 -19.9353 -24.3707 53.6162 -6.46287 -24.4291 -6.69307 -56.7987 TIMING: 1783400 CPU: 5325.67, 0.00301066/step Wall: 5325.67, 0.00301066/step, 2.69003 hours remaining, 207.824219 MB of memory in use. ENERGY: 1783400 774.4844 2110.2703 1947.0147 105.5064 -205744.1651 17778.9667 0.0000 0.0000 34338.2426 -148689.6799 299.8844 -183027.9225 -148592.9835 300.8421 72.3428 102.8101 557903.6964 12.9667 12.6603 PRESSURE: 1783600 -114.884 13.4046 64.488 13.4045 -102.711 56.4747 64.4874 56.4747 115.227 GPRESSURE: 1783600 -98.2077 -45.4876 64.8048 78.9501 -53.6502 68.7058 42.0454 30.7054 143.498 PRESSAVG: 1783600 -7.25572 29.7089 54.4036 29.7088 51.2007 -23.9203 54.4037 -23.9202 -27.5266 GPRESSAVG: 1783600 -6.92081 29.6054 55.68 29.0135 50.3723 -21.6563 54.6221 -24.8448 -26.6666 TIMING: 1783600 CPU: 5326.26, 0.00298068/step Wall: 5326.26, 0.00298068/step, 2.66307 hours remaining, 207.824219 MB of memory in use. ENERGY: 1783600 760.6532 2044.1202 1962.4503 105.9395 -206018.4628 17800.7582 0.0000 0.0000 34596.0663 -148748.4751 302.1361 -183344.5414 -148653.7071 301.5886 -34.1228 -2.7866 557156.2678 5.4728 5.5950 PRESSURE: 1783800 -281.324 153.599 -37.3475 153.6 -383.771 -26.589 -37.3477 -26.5901 -80.5353 GPRESSURE: 1783800 -230.735 16.8475 3.84064 126.664 -348.719 -19.3806 -116.277 -15.5124 -75.6851 PRESSAVG: 1783800 -6.39705 -47.2759 35.8085 -47.2759 -17.8015 7.36122 35.8086 7.36133 46.4309 GPRESSAVG: 1783800 -7.72742 -49.4761 32.9419 -45.9693 -16.7621 3.7254 37.4931 8.43699 46.8477 TIMING: 1783800 CPU: 5326.86, 0.00300059/step Wall: 5326.86, 0.00300059/step, 2.68069 hours remaining, 207.824219 MB of memory in use. ENERGY: 1783800 735.6312 2085.6704 1944.9593 110.1727 -205451.0822 17456.9821 0.0000 0.0000 34465.2598 -148652.4067 300.9937 -183117.6665 -148553.6185 300.7933 -248.5434 -218.3798 559974.8698 7.4108 7.4527 PRESSURE: 1784000 -116.412 -2.61374 117.058 -2.61297 -128.679 138.248 117.058 138.247 -69.9579 GPRESSURE: 1784000 -87.0286 34.2965 179.579 18.3834 -34.298 171.102 105.891 128.534 -92.9641 PRESSAVG: 1784000 -0.513269 12.8279 -1.10415 12.8279 32.3594 8.37168 -1.10408 8.37182 -8.80296 GPRESSAVG: 1784000 -0.664002 15.3944 -0.743342 11.6523 31.4343 9.29844 -2.93708 9.43583 -8.12923 TIMING: 1784000 CPU: 5327.46, 0.00299041/step Wall: 5327.46, 0.00299041/step, 2.67143 hours remaining, 207.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1784000 750.5217 2110.5497 1959.5242 106.5834 -205720.6081 17623.6025 0.0000 0.0000 34461.8258 -148708.0008 300.9637 -183169.8266 -148604.7166 300.5995 -105.0164 -71.4302 559023.2620 7.6811 7.5470 PRESSURE: 1784200 0.643834 -34.8208 -155.315 -34.8203 -99.2386 24.5567 -155.314 24.5569 -88.8137 GPRESSURE: 1784200 -36.5961 41.4714 -170.73 24.575 37.0961 88.2158 -59.4277 -7.90517 -85.6376 PRESSAVG: 1784200 -26.6549 87.3588 27.2746 87.3587 -53.6396 15.1538 27.2746 15.1538 82.1553 GPRESSAVG: 1784200 -27.0935 87.3803 26.648 87.9488 -52.9268 15.9295 27.0373 15.4957 81.4394 TIMING: 1784200 CPU: 5328.06, 0.00296596/step Wall: 5328.06, 0.00296596/step, 2.64942 hours remaining, 207.824219 MB of memory in use. ENERGY: 1784200 771.2841 2037.5820 1940.4105 117.3791 -205780.7355 17631.2397 0.0000 0.0000 34495.8095 -148787.0307 301.2605 -183282.8402 -148681.2926 300.5385 -62.4695 -28.3792 557549.5630 0.6203 0.4730 LDB: ============= START OF LOAD BALANCING ============== 5331.6 LDB: ============== END OF LOAD BALANCING =============== 5331.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5331.6 LDB: ============= START OF LOAD BALANCING ============== 5331.9 LDB: Largest compute 4773 load 0.028006 is 23.7% of average load 0.118147 LDB: Average compute 0.001729 is 1.5% of average load 0.118147 LDB: TIME 5331.91 LOAD: AVG 0.118147 MAX 0.212692 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 5331.91 LOAD: AVG 0.118147 MAX 0.212692 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 5331.91 LOAD: AVG 0.118147 MAX 0.212692 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 5331.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5331.91 PRESSURE: 1784400 -1.9081 76.0513 -152.817 76.0492 -61.3084 -1.14435 -152.817 -1.14575 101.331 GPRESSURE: 1784400 24.1828 85.4747 -209.196 96.4745 -8.51176 14.7139 -117.287 33.1802 120.529 PRESSAVG: 1784400 -1.11855 -8.05902 0.86505 -8.05893 -78.7943 11.72 0.86503 11.72 95.3994 GPRESSAVG: 1784400 0.414493 -7.61541 -0.0755107 -7.55046 -80.0083 11.8149 0.305062 10.8195 95.5931 TIMING: 1784400 CPU: 5328.66, 0.00303713/step Wall: 5328.66, 0.00303713/step, 2.71284 hours remaining, 207.226562 MB of memory in use. ENERGY: 1784400 735.4102 2075.0533 1918.9961 113.6723 -205769.8414 17796.1321 0.0000 0.0000 34254.2861 -148876.2914 299.1512 -183130.5774 -148782.2897 300.2735 12.7049 45.3999 558274.1889 5.1622 5.3331 PRESSURE: 1784600 -300.672 -140.985 5.99279 -140.986 -67.3296 -74.5798 5.99308 -74.5801 154.058 GPRESSURE: 1784600 -246.076 -94.4671 -125.674 -161.707 -34.905 -82.091 66.9142 -10.0199 174.752 PRESSAVG: 1784600 27.221 5.02975 0.968274 5.02965 -9.38006 3.04578 0.96835 3.04572 3.70073 GPRESSAVG: 1784600 26.4479 2.27218 1.67021 5.23801 -9.41861 1.68238 2.10889 3.50041 4.39584 TIMING: 1784600 CPU: 5329.26, 0.00299456/step Wall: 5329.26, 0.00299456/step, 2.67464 hours remaining, 207.226562 MB of memory in use. ENERGY: 1784600 763.1022 2090.2278 1920.6078 115.5879 -205937.5929 17669.3976 0.0000 0.0000 34352.6805 -149025.9890 300.0105 -183378.6695 -148928.6688 299.8737 -71.3145 -35.4097 557675.5615 7.1806 7.1417 PRESSURE: 1784800 10.6383 71.5583 135.974 71.5588 -129.765 -1.07044 135.974 -1.06969 -90.78 GPRESSURE: 1784800 48.7406 99.3877 178.357 -17.715 -109.633 -21.4239 93.5285 50.2965 -46.3506 PRESSAVG: 1784800 -2.82637 -0.203403 -0.608771 -0.203245 -3.30189 -9.05122 -0.608671 -9.0513 23.0814 GPRESSAVG: 1784800 -2.24698 0.92667 -0.988095 0.763585 -2.38767 -9.09803 -0.281462 -9.6599 21.4935 TIMING: 1784800 CPU: 5329.86, 0.00297543/step Wall: 5329.86, 0.00297543/step, 2.65739 hours remaining, 207.226562 MB of memory in use. ENERGY: 1784800 734.1832 2092.2690 1904.8933 102.8515 -205975.0149 17625.1410 0.0000 0.0000 34607.8897 -148907.7873 302.2393 -183515.6769 -148813.1321 299.9632 -69.9690 -35.7477 556281.1115 5.6511 5.6196 PRESSURE: 1785000 -11.3639 162.806 -65.4911 162.806 127.569 -39.3005 -65.4907 -39.3022 -117.234 GPRESSURE: 1785000 51.2732 96.2984 -101.294 195.001 109.565 -18.9573 -145.933 53.1246 -72.0399 PRESSAVG: 1785000 51.0265 -15.7887 0.871896 -15.7886 -41.9396 8.35069 0.871894 8.35069 -13.2779 GPRESSAVG: 1785000 51.2541 -16.1437 2.34971 -17.1658 -43.1506 8.01741 -0.499993 9.99458 -11.6238 TIMING: 1785000 CPU: 5330.45, 0.00298026/step Wall: 5330.45, 0.00298026/step, 2.66154 hours remaining, 207.226562 MB of memory in use. ENERGY: 1785000 671.7888 2129.4464 1915.5782 118.0039 -205649.0379 17690.8022 0.0000 0.0000 34233.9087 -148889.5099 298.9732 -183123.4186 -148786.7714 300.3275 -0.3427 29.5994 557794.7177 -1.3970 -1.1734 PRESSURE: 1785200 -265.614 31.2137 -24.8132 31.2135 -233.467 -115.687 -24.8132 -115.686 -219.049 GPRESSURE: 1785200 -220.322 -35.1644 -86.225 29.022 -211.265 -126.576 -58.8817 -62.2591 -178.825 PRESSAVG: 1785200 43.4506 -40.074 -15.9121 -40.074 -40.3013 61.0675 -15.912 61.0677 -29.3021 GPRESSAVG: 1785200 42.9199 -39.7904 -15.7642 -39.3115 -38.9607 64.3155 -16.2209 59.4073 -29.3847 TIMING: 1785200 CPU: 5331.05, 0.00298729/step Wall: 5331.05, 0.00298729/step, 2.66765 hours remaining, 207.226562 MB of memory in use. ENERGY: 1785200 789.3997 2104.7176 1935.6200 100.8078 -205752.4374 17551.1968 0.0000 0.0000 34164.5430 -149106.1524 298.3675 -183270.6954 -149011.3663 299.6492 -239.3765 -203.4705 557465.0919 -8.7176 -8.4752 PRESSURE: 1785400 137.44 -132.614 -111.895 -132.613 147.511 -151.838 -111.894 -151.839 80.6541 GPRESSURE: 1785400 144.988 -149.938 -113.986 -192.43 173.759 -173.794 -189.075 -158.919 141.899 PRESSAVG: 1785400 47.5689 17.7097 -41.6752 17.7097 -14.0422 -15.2747 -41.6751 -15.2746 -10.85 GPRESSAVG: 1785400 49.2487 19.2024 -41.9004 15.7191 -15.4504 -17.5583 -39.9558 -16.0385 -11.4918 TIMING: 1785400 CPU: 5331.65, 0.00299897/step Wall: 5331.65, 0.00299897/step, 2.67791 hours remaining, 207.226562 MB of memory in use. ENERGY: 1785400 729.4137 2074.7500 1906.5778 122.5829 -206125.2909 17764.5363 0.0000 0.0000 34317.4568 -149209.9734 299.7029 -183527.4302 -149114.3117 299.4871 121.8685 153.5489 556291.6976 7.5589 7.4355 PRESSURE: 1785600 351.431 -91.7953 55.2576 -91.7951 241.558 -21.7015 55.2572 -21.7003 94.3159 GPRESSURE: 1785600 318.158 -65.0943 120.882 -54.8232 324.756 -52.8147 5.19516 -21.3237 139.334 PRESSAVG: 1785600 52.1465 29.0894 34.1577 29.0893 -36.6417 -15.8529 34.1577 -15.8528 28.3893 GPRESSAVG: 1785600 51.4246 28.6455 34.0338 29.6597 -35.521 -13.9382 33.7117 -15.8445 27.6886 TIMING: 1785600 CPU: 5332.25, 0.00297596/step Wall: 5332.25, 0.00297596/step, 2.6572 hours remaining, 207.226562 MB of memory in use. ENERGY: 1785600 696.8204 2078.2981 1904.2619 106.1153 -205806.7712 17800.4362 0.0000 0.0000 34134.3488 -149086.4904 298.1038 -183220.8392 -148989.6071 299.3456 229.1015 260.7491 556458.9750 14.6314 14.5307 PRESSURE: 1785800 -18.9165 226.587 -8.13807 226.586 3.06975 47.4736 -8.13986 47.4739 149.2 GPRESSURE: 1785800 15.3937 225.359 -29.8539 110.442 36.1348 -5.86612 -116.56 106.795 170.209 PRESSAVG: 1785800 42.5301 23.7301 20.9538 23.7302 -28.0312 -55.3408 20.9537 -55.3407 4.78157 GPRESSAVG: 1785800 42.3107 21.8919 21.5789 25.671 -28.6077 -56.043 22.2426 -55.2377 4.45247 TIMING: 1785800 CPU: 5332.84, 0.00298687/step Wall: 5332.84, 0.00298687/step, 2.66678 hours remaining, 207.226562 MB of memory in use. ENERGY: 1785800 766.5462 2042.4859 1936.9153 124.3935 -206304.9576 18090.2937 0.0000 0.0000 34302.9240 -149041.3991 299.5760 -183344.3231 -148944.4435 298.9887 44.4511 73.9124 557577.0541 6.4268 6.0518 PRESSURE: 1786000 -49.6469 -144.119 9.76284 -144.12 30.4088 19.9289 9.76359 19.9297 192.87 GPRESSURE: 1786000 -21.6975 -121.981 47.6523 -178.181 42.8271 27.0274 -39.0928 -16.2829 242.344 PRESSAVG: 1786000 -73.0272 -23.1789 -16.3344 -23.1789 39.4317 -2.15427 -16.3343 -2.15428 -6.91278 GPRESSAVG: 1786000 -74.1721 -22.4794 -15.6348 -23.677 39.863 -3.9919 -16.8571 0.0773332 -6.30572 TIMING: 1786000 CPU: 5333.44, 0.00298577/step Wall: 5333.44, 0.00298577/step, 2.66563 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1786000 761.8577 2056.5184 1905.2543 99.7754 -205992.6878 17972.6248 0.0000 0.0000 34296.1814 -148900.4757 299.5171 -183196.6572 -148807.5912 299.8366 57.8774 87.8244 558472.7488 -13.5028 -13.5383 PRESSURE: 1786200 33.0424 18.4249 7.80388 18.4243 33.1408 -89.2234 7.80378 -89.2258 -106.24 GPRESSURE: 1786200 89.3774 -86.4252 17.47 -12.7851 -0.01077 -135.971 88.0765 -158.79 -40.8148 PRESSAVG: 1786200 -9.60405 -60.7728 36.5997 -60.7728 36.7139 3.37495 36.5998 3.37494 -50.8031 GPRESSAVG: 1786200 -9.10752 -61.4345 35.9371 -60.809 37.2571 4.26458 37.2633 1.79161 -52.249 TIMING: 1786200 CPU: 5334.03, 0.00296747/step Wall: 5334.03, 0.00296747/step, 2.64913 hours remaining, 207.226562 MB of memory in use. ENERGY: 1786200 721.3123 2046.4586 1947.2529 106.7189 -205938.8242 17735.1181 0.0000 0.0000 34459.0803 -148922.8832 300.9397 -183381.9634 -148820.2553 299.5834 -13.3524 16.1840 559452.2397 -7.8978 -8.0331 PRESSURE: 1786400 396.031 150.541 -40.898 150.541 139.847 -31.4312 -40.8982 -31.4324 701.298 GPRESSURE: 1786400 412.661 109.62 -70.7095 122.574 225.143 -75.9265 -63.8502 -18.744 692.351 PRESSAVG: 1786400 -34.6823 3.15171 21.5065 3.15181 2.57982 -3.14002 21.5065 -3.13999 23.0424 GPRESSAVG: 1786400 -35.2161 4.60499 20.6373 2.99477 1.9002 -3.53748 19.6323 -2.14105 24.0588 TIMING: 1786400 CPU: 5334.62, 0.00295471/step Wall: 5334.62, 0.00295471/step, 2.63757 hours remaining, 207.226562 MB of memory in use. ENERGY: 1786400 736.5267 2059.0541 1941.8393 111.1874 -206110.1087 18284.6463 0.0000 0.0000 34132.1302 -148844.7248 298.0844 -182976.8549 -148750.9404 299.7707 412.3921 443.3847 557925.8236 -3.0200 -3.0857 PRESSURE: 1786600 -176.288 89.8115 179.523 89.8104 -292.543 -58.4714 179.523 -58.4708 -177.237 GPRESSURE: 1786600 -132.888 62.8147 219.535 93.7242 -274.22 -80.9804 200.387 -31.4736 -140.23 PRESSAVG: 1786600 16.7698 7.61609 48.8533 7.61607 -24.3594 -23.7528 48.8532 -23.7528 26.5908 GPRESSAVG: 1786600 17.4295 6.06932 50.9143 8.97254 -25.1489 -21.162 48.1743 -24.696 26.7611 TIMING: 1786600 CPU: 5335.22, 0.00297091/step Wall: 5335.22, 0.00297091/step, 2.65187 hours remaining, 207.226562 MB of memory in use. ENERGY: 1786600 757.1138 2082.8445 1931.4049 102.2350 -205413.1327 17420.1204 0.0000 0.0000 34260.6150 -148858.7992 299.2065 -183119.4142 -148757.4014 300.0248 -215.3560 -182.4460 558725.3080 6.3337 6.3473 PRESSURE: 1786800 -120.855 -153.671 72.8737 -153.671 -305.39 -106.313 72.8732 -106.313 -88.4693 GPRESSURE: 1786800 -89.901 -112.07 47.8039 -127.975 -208.958 -107.104 76.6094 -73.1401 -116.21 PRESSAVG: 1786800 -25.5264 -18.2075 -23.5093 -18.2076 -9.57899 12.6523 -23.5094 12.6524 0.309104 GPRESSAVG: 1786800 -24.2777 -17.3302 -26.3619 -20.8963 -10.5534 11.0119 -19.4625 12.2008 -0.0396788 TIMING: 1786800 CPU: 5335.81, 0.00297221/step Wall: 5335.81, 0.00297221/step, 2.65287 hours remaining, 207.226562 MB of memory in use. ENERGY: 1786800 777.0151 2154.4574 1938.3651 112.2117 -205784.3269 17536.9610 0.0000 0.0000 34461.8637 -148803.4529 300.9640 -183265.3166 -148701.6591 300.1883 -171.5714 -138.3564 558653.7640 -11.5988 -11.6236 PRESSURE: 1787000 -29.1902 -234.255 -18.7613 -234.255 -47.557 -44.8006 -18.7622 -44.8007 -81.9404 GPRESSURE: 1787000 36.4835 -195.786 -43.326 -246.151 -26.1521 34.3825 17.5787 -93.0347 -61.6507 PRESSAVG: 1787000 -9.57214 -40.0931 -11.1207 -40.0932 66.2023 -26.4329 -11.1206 -26.4328 -16.0071 GPRESSAVG: 1787000 -9.70386 -41.0165 -7.63399 -37.7635 66.9126 -27.3796 -15.9119 -24.556 -16.6672 TIMING: 1787000 CPU: 5336.41, 0.00297976/step Wall: 5336.41, 0.00297976/step, 2.65944 hours remaining, 207.226562 MB of memory in use. ENERGY: 1787000 710.0986 2064.8092 1935.9235 103.4628 -205773.0503 17537.5031 0.0000 0.0000 34502.9441 -148918.3090 301.3228 -183421.2530 -148815.7688 299.8948 -52.8959 -17.1064 558212.7971 13.5410 13.5138 PRESSURE: 1787200 -166.173 -14.2895 64.7188 -14.2888 242.992 68.1979 64.7186 68.1977 -91.7948 GPRESSURE: 1787200 -158.848 -12.8272 121.611 27.8792 344.083 115.293 -11.2631 101.082 -102.973 PRESSAVG: 1787200 43.1679 -58.4459 -11.1632 -58.4458 21.5108 15.9053 -11.1632 15.9054 -28.782 GPRESSAVG: 1787200 43.6063 -56.2147 -12.4833 -60.7248 20.7344 16.1228 -11.1839 16.3406 -28.5605 TIMING: 1787200 CPU: 5337.01, 0.00298402/step Wall: 5337.01, 0.00298402/step, 2.66307 hours remaining, 207.226562 MB of memory in use. ENERGY: 1787200 742.7074 2061.6551 1899.6308 122.0003 -206017.7017 17819.6378 0.0000 0.0000 34322.6724 -149049.3978 299.7484 -183372.0702 -148954.0040 300.2420 -4.9922 27.4205 558906.4769 11.9656 11.9267 PRESSURE: 1787400 152.94 -105.133 117.507 -105.134 354.767 -66.4768 117.509 -66.4768 -297.304 GPRESSURE: 1787400 160.077 -144.013 87.3263 -41.6873 425.529 -86.2729 58.7343 -46.1719 -282.755 PRESSAVG: 1787400 27.8724 -59.8416 -4.63959 -59.8416 79.1709 5.52806 -4.63961 5.52799 -27.957 GPRESSAVG: 1787400 27.2395 -62.1643 -4.39318 -58.1977 80.6136 5.12226 -2.36673 5.17888 -28.5986 TIMING: 1787400 CPU: 5337.6, 0.00299204/step Wall: 5337.6, 0.00299204/step, 2.67006 hours remaining, 207.226562 MB of memory in use. ENERGY: 1787400 739.0946 2090.6291 1929.0009 115.6037 -206162.6999 17810.2110 0.0000 0.0000 34429.8414 -149048.3192 300.6844 -183478.1606 -148948.5091 300.1590 70.1344 100.9505 557950.0053 26.3621 26.4182 PRESSURE: 1787600 -160.16 110.125 60.3421 110.125 -173.015 -124.874 60.3422 -124.874 -135.698 GPRESSURE: 1787600 -132.174 65.8893 29.5622 50.1336 -119.76 -121.507 90.7468 -73.4435 -107.863 PRESSAVG: 1787600 17.7205 -48.5088 -8.16908 -48.5088 31.5205 -17.0996 -8.1691 -17.0994 -53.1357 GPRESSAVG: 1787600 17.8999 -48.3207 -11.2929 -46.0565 30.5435 -16.314 -6.12813 -17.6336 -52.6868 TIMING: 1787600 CPU: 5338.21, 0.00301028/step Wall: 5338.21, 0.00301028/step, 2.68617 hours remaining, 207.226562 MB of memory in use. ENERGY: 1787600 772.3714 2126.6122 1951.7387 122.9309 -205871.6570 17493.7059 0.0000 0.0000 34446.1124 -148958.1855 300.8265 -183404.2979 -148863.4266 299.9891 -156.2912 -119.9322 557895.7778 -1.2982 -1.4145 PRESSURE: 1787800 -299.771 -42.5837 -21.4374 -42.5806 -281.776 12.0422 -21.4373 12.0409 112.631 GPRESSURE: 1787800 -261.811 5.5352 43.8305 -37.2437 -195.851 45.055 -7.6873 0.40254 65.6028 PRESSAVG: 1787800 -74.443 -48.5402 -30.7344 -48.5402 41.3441 9.96952 -30.7344 9.96956 11.2432 GPRESSAVG: 1787800 -74.6155 -46.5367 -29.1304 -52.5 41.17 11.6707 -32.932 9.93772 11.1437 TIMING: 1787800 CPU: 5338.8, 0.00297589/step Wall: 5338.8, 0.00297589/step, 2.65532 hours remaining, 207.226562 MB of memory in use. ENERGY: 1787800 750.8320 2073.5608 1917.3698 103.3182 -205556.4182 17438.4019 0.0000 0.0000 34283.7442 -148989.1913 299.4085 -183272.9355 -148888.2829 300.5312 -156.3054 -130.6865 556470.4310 -7.2852 -7.4339 PRESSURE: 1788000 -191.354 7.61825 19.0711 7.61787 229.61 28.8267 19.0718 28.8262 80.783 GPRESSURE: 1788000 -159.328 -1.34728 44.4204 -0.87675 266.238 22.9518 -56.867 5.5196 124.084 PRESSAVG: 1788000 64.5409 -54.101 -49.8369 -54.101 -1.91322 22.1875 -49.8369 22.1875 -23.931 GPRESSAVG: 1788000 65.5234 -56.2134 -51.1256 -52.5102 -1.99893 21.2928 -50.9697 22.047 -24.9995 TIMING: 1788000 CPU: 5339.4, 0.00298235/step Wall: 5339.4, 0.00298235/step, 2.66092 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1788000 745.1616 2093.3095 1941.3032 121.5346 -205988.9876 17622.3770 0.0000 0.0000 34364.9593 -149100.3422 300.1177 -183465.3016 -148999.9249 300.1257 39.6798 76.9979 555782.5141 12.8989 12.8417 PRESSURE: 1788200 74.7528 27.9401 -8.65376 27.9392 249.05 51.0733 -8.65443 51.0724 -75.8392 GPRESSURE: 1788200 122.026 -4.58033 141.873 8.36836 233.645 38.3877 -61.1915 11.6927 6.18067 PRESSAVG: 1788200 27.5829 -21.9859 -24.1989 -21.986 96.328 40.0364 -24.1989 40.0364 -103.085 GPRESSAVG: 1788200 26.7588 -21.1748 -22.0548 -22.9026 96.6175 39.1983 -23.1576 41.287 -101.881 TIMING: 1788200 CPU: 5339.99, 0.00298228/step Wall: 5339.99, 0.00298228/step, 2.66069 hours remaining, 207.226562 MB of memory in use. ENERGY: 1788200 749.3552 2115.3678 1944.9658 108.8611 -206118.3874 17783.7737 0.0000 0.0000 34331.9022 -149084.1617 299.8290 -183416.0639 -148986.7311 299.8632 82.6547 120.6171 555950.6479 6.9419 7.1652 LDB: ============= START OF LOAD BALANCING ============== 5343.55 LDB: ============== END OF LOAD BALANCING =============== 5343.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5343.55 LDB: ============= START OF LOAD BALANCING ============== 5343.85 LDB: Largest compute 4772 load 0.027242 is 23.1% of average load 0.118103 LDB: Average compute 0.001730 is 1.5% of average load 0.118103 LDB: TIME 5343.85 LOAD: AVG 0.118103 MAX 0.215665 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 5343.85 LOAD: AVG 0.118103 MAX 0.215665 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.289 MB LDB: TIME 5343.85 LOAD: AVG 0.118103 MAX 0.215665 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.289 MB LDB: ============== END OF LOAD BALANCING =============== 5343.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5343.86 PRESSURE: 1788400 -182.895 70.0762 -18.8029 70.0755 -148.927 133.971 -18.8028 133.97 -129.116 GPRESSURE: 1788400 -137.842 105.032 -54.5117 39.5203 -109.112 78.5135 5.31007 84.457 -111.454 PRESSAVG: 1788400 -14.9724 5.11731 16.8642 5.1173 12.0421 29.2248 16.8642 29.2249 2.63549 GPRESSAVG: 1788400 -15.7977 4.72933 16.8711 4.79788 10.8722 28.5135 17.2761 25.7888 3.73714 TIMING: 1788400 CPU: 5340.61, 0.00306311/step Wall: 5340.61, 0.00306311/step, 2.73264 hours remaining, 206.515625 MB of memory in use. ENERGY: 1788400 723.6381 2124.9803 1950.1904 118.1312 -205853.5609 17469.3564 0.0000 0.0000 34118.1356 -149349.1287 297.9622 -183467.2644 -149251.8656 298.4557 -153.6460 -119.4693 556436.5097 -0.0983 -0.3961 PRESSURE: 1788600 130.071 123.543 -92.4504 123.543 184.633 -91.0514 -92.4499 -91.0515 233.89 GPRESSURE: 1788600 144.73 25.6095 -104.377 119.636 226.151 -149.434 -57.4605 -9.38874 275.602 PRESSAVG: 1788600 40.1808 7.2627 12.9117 7.26275 34.0654 77.5791 12.9118 77.5791 -56.2956 GPRESSAVG: 1788600 39.7559 6.21514 12.2235 11.1411 34.5355 79.0868 11.6574 78.4159 -56.3474 TIMING: 1788600 CPU: 5341.21, 0.00302512/step Wall: 5341.21, 0.00302512/step, 2.69858 hours remaining, 206.515625 MB of memory in use. ENERGY: 1788600 749.2190 2081.7889 1929.9897 115.6113 -206480.7620 17996.0069 0.0000 0.0000 34161.0711 -149447.0751 298.3371 -183608.1462 -149350.9515 298.4847 182.8648 215.4944 554767.6222 5.9835 5.9813 PRESSURE: 1788800 139.027 -40.3427 44.813 -40.341 33.2745 79.4006 44.8129 79.4 0.179866 GPRESSURE: 1788800 155.777 21.5211 43.535 -130.825 77.2607 41.5233 81.3696 98.436 36.9752 PRESSAVG: 1788800 51.3391 15.356 -17.4057 15.3561 12.1073 30.511 -17.4057 30.511 -38.9392 GPRESSAVG: 1788800 52.1297 13.3738 -17.9543 12.4033 13.0518 27.6618 -17.4187 33.4686 -40.0876 TIMING: 1788800 CPU: 5341.81, 0.00301416/step Wall: 5341.81, 0.00301416/step, 2.68863 hours remaining, 206.515625 MB of memory in use. ENERGY: 1788800 723.0415 2140.2712 1923.6067 94.5879 -206454.2879 17790.4955 0.0000 0.0000 34402.4393 -149379.8458 300.4451 -183782.2851 -149277.0462 298.8784 57.4939 90.0044 554789.1221 8.1690 8.3646 PRESSURE: 1789000 -150.902 89.6626 46.6288 89.6628 -65.6662 -19.6792 46.6277 -19.6786 -203.581 GPRESSURE: 1789000 -53.3296 74.0399 59.5685 47.313 -66.1446 -8.58094 104.772 -30.9712 -204.65 PRESSAVG: 1789000 -9.89173 33.7103 32.6833 33.7104 14.222 8.18958 32.6834 8.18964 -5.85318 GPRESSAVG: 1789000 -9.40551 36.7006 32.5843 34.2084 12.9764 11.7762 34.671 6.66834 -5.09024 TIMING: 1789000 CPU: 5342.42, 0.00300432/step Wall: 5342.42, 0.00300432/step, 2.67969 hours remaining, 206.515625 MB of memory in use. ENERGY: 1789000 700.1419 2057.1721 1915.4528 119.6181 -205796.1879 17449.8894 0.0000 0.0000 34161.8221 -149392.0915 298.3437 -183553.9136 -149289.1281 299.0923 -140.0496 -108.0414 556786.7289 -0.5076 -0.5065 PRESSURE: 1789200 -65.4599 -89.07 82.7166 -89.0683 82.2037 6.63476 82.7167 6.63559 -47.0821 GPRESSURE: 1789200 -6.74837 -116.572 113.457 -48.6894 147.773 28.6306 61.2072 7.78616 -71.1778 PRESSAVG: 1789200 26.5027 -6.75992 -2.40267 -6.75986 29.3096 31.1989 -2.40276 31.1989 -48.9096 GPRESSAVG: 1789200 25.3804 -9.0835 -0.611416 -4.59102 30.623 31.0166 -3.7048 30.8825 -49.1604 TIMING: 1789200 CPU: 5343.01, 0.00299612/step Wall: 5343.01, 0.00299612/step, 2.6722 hours remaining, 206.515625 MB of memory in use. ENERGY: 1789200 720.5358 2077.3267 1954.9432 110.8036 -206225.5185 17698.7046 0.0000 0.0000 34561.7669 -149101.4378 301.8365 -183663.2047 -149007.1344 299.3262 -10.1128 23.2824 556681.2762 2.3009 2.2810 PRESSURE: 1789400 79.6876 18.4029 -32.5374 18.402 55.4455 -189.078 -32.5371 -189.079 -111.348 GPRESSURE: 1789400 105.203 37.3425 64.8645 48.9336 74.3795 -89.4393 -90.8314 -214.192 -48.9434 PRESSAVG: 1789400 -10.126 40.1995 -6.0337 40.1995 -7.40712 32.0779 -6.03368 32.0779 7.31728 GPRESSAVG: 1789400 -9.65539 40.8732 -7.37708 39.1566 -7.39744 31.483 -6.50606 31.3714 6.78582 TIMING: 1789400 CPU: 5343.61, 0.00298027/step Wall: 5343.61, 0.00298027/step, 2.6579 hours remaining, 206.515625 MB of memory in use. ENERGY: 1789400 750.6221 2086.1449 1924.5828 95.5833 -206072.9790 17758.1577 0.0000 0.0000 34296.2629 -149161.6252 299.5178 -183457.8881 -149066.0420 299.8085 7.9282 43.5463 556735.8465 -3.4053 -3.4223 PRESSURE: 1789600 27.9973 -16.3579 84.3016 -16.3574 -109.077 95.2416 84.3009 95.2412 -341.945 GPRESSURE: 1789600 62.712 38.3147 118.34 -60.8785 -96.737 68.797 100.007 127.164 -290.318 PRESSAVG: 1789600 39.0665 32.2942 -29.8387 32.2942 -25.918 -20.5775 -29.8387 -20.5774 -21.7153 GPRESSAVG: 1789600 38.8848 31.2474 -28.4751 33.8468 -27.2566 -22.4273 -29.4569 -18.9397 -20.3815 TIMING: 1789600 CPU: 5344.21, 0.00297583/step Wall: 5344.21, 0.00297583/step, 2.65378 hours remaining, 206.515625 MB of memory in use. ENERGY: 1789600 769.6231 2091.9824 1922.1395 106.8840 -205936.7816 17611.5733 0.0000 0.0000 34359.4547 -149075.1247 300.0697 -183434.5794 -148979.7008 299.8040 -141.0080 -108.1143 557701.4738 -2.8556 -2.9178 PRESSURE: 1789800 85.9811 54.0151 48.6721 54.0153 69.6095 -106.344 48.6724 -106.343 284.781 GPRESSURE: 1789800 166.219 58.6882 -16.5147 56.7922 61.9649 -79.5086 45.2796 -111.148 301.616 PRESSAVG: 1789800 -51.2326 -2.73685 -26.6698 -2.73686 8.23409 -29.8282 -26.6698 -29.8281 22.7276 GPRESSAVG: 1789800 -51.2373 -1.96094 -26.4686 -3.23327 8.73237 -28.6523 -27.0012 -31.4192 21.8827 TIMING: 1789800 CPU: 5344.8, 0.00295291/step Wall: 5344.8, 0.00295291/step, 2.63318 hours remaining, 206.515625 MB of memory in use. ENERGY: 1789800 718.4634 2090.9396 1945.0656 114.2856 -206118.5861 17968.5692 0.0000 0.0000 34260.7143 -149020.5485 299.2073 -183281.2627 -148927.4824 300.3986 146.7905 176.6000 558264.8655 -6.7570 -6.8741 PRESSURE: 1790000 -167.095 38.3605 -217.194 38.3598 104.278 -112.441 -217.194 -112.442 -70.542 GPRESSURE: 1790000 -125.154 126.975 -236.424 41.8424 87.7304 -151.918 -204.13 3.33295 -14.5062 PRESSAVG: 1790000 -16.774 45.1075 -76.4145 45.1074 6.74043 1.96831 -76.4145 1.96838 -9.26188 GPRESSAVG: 1790000 -16.909 45.9059 -76.4639 43.8326 7.84893 3.41829 -77.1373 1.98269 -10.1371 TIMING: 1790000 CPU: 5345.39, 0.00297778/step Wall: 5345.39, 0.00297778/step, 2.65519 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1790000 743.9238 2077.5220 1948.3412 107.4346 -206283.6703 17863.0244 0.0000 0.0000 34354.6658 -149188.7583 300.0278 -183543.4242 -149089.6929 299.7613 -44.4531 -17.3099 559399.6542 -6.4318 -6.3991 PRESSURE: 1790200 -177.446 -20.4257 78.9724 -20.4256 -279.869 22.6987 78.973 22.6996 41.6554 GPRESSURE: 1790200 -195.762 -55.2027 61.8325 -22.6902 -209.069 38.0928 52.41 20.0337 78.3917 PRESSAVG: 1790200 -79.7406 15.1429 -14.1808 15.1429 42.6893 -29.6729 -14.1808 -29.6729 77.2564 GPRESSAVG: 1790200 -79.9148 15.8421 -15.8029 12.6607 42.2674 -28.3618 -13.1416 -28.9579 78.3521 TIMING: 1790200 CPU: 5345.99, 0.00297746/step Wall: 5345.99, 0.00297746/step, 2.65474 hours remaining, 206.515625 MB of memory in use. ENERGY: 1790200 779.1185 2096.6144 1943.3202 105.9864 -206001.6597 17630.3882 0.0000 0.0000 34482.4211 -148963.8108 301.1436 -183446.2319 -148863.8319 299.7749 -138.5532 -108.8132 557996.7054 13.4017 13.5682 PRESSURE: 1790400 -30.3587 -85.6554 -15.5563 -85.655 135.908 44.9426 -15.5567 44.9416 78.0964 GPRESSURE: 1790400 -16.1464 -41.9544 -60.1167 -41.0788 169.425 104.724 -3.28654 61.2772 139.154 PRESSAVG: 1790400 -5.74513 13.8136 -35.0401 13.8136 -80.8672 -32.7249 -35.0401 -32.7249 83.9335 GPRESSAVG: 1790400 -4.63606 13.0899 -35.6185 15.6457 -82.2151 -34.5806 -33.1678 -33.7055 83.9769 TIMING: 1790400 CPU: 5346.59, 0.00298904/step Wall: 5346.59, 0.00298904/step, 2.6649 hours remaining, 206.515625 MB of memory in use. ENERGY: 1790400 715.7471 2095.4132 1945.5471 122.7432 -206003.5750 17824.3888 0.0000 0.0000 34284.9631 -149014.7726 299.4191 -183299.7356 -148918.2421 299.8153 61.2151 97.4777 557234.9300 -0.8930 -0.9581 PRESSURE: 1790600 -369.598 50.7568 -99.8664 50.7568 -237.871 89.6351 -99.8675 89.6366 -440.853 GPRESSURE: 1790600 -352.528 -6.59301 -48.8898 60.1718 -195.489 34.9973 -60.3014 99.141 -406.9 PRESSAVG: 1790600 -8.08593 12.328 -35.6682 12.328 71.4436 -67.8475 -35.6683 -67.8476 -45.2106 GPRESSAVG: 1790600 -9.66849 11.0495 -33.5056 13.9275 72.965 -69.848 -38.4552 -69.0869 -45.2211 TIMING: 1790600 CPU: 5347.18, 0.00296812/step Wall: 5347.18, 0.00296812/step, 2.64608 hours remaining, 206.515625 MB of memory in use. ENERGY: 1790600 756.0642 2062.7749 1972.7814 104.2446 -205516.5436 17346.3076 0.0000 0.0000 34394.9381 -148879.4328 300.3795 -183274.3709 -148775.9943 299.5191 -349.4402 -318.3059 559010.2359 6.0490 6.0251 PRESSURE: 1790800 388.858 125.494 127.959 125.493 85.7882 -45.4133 127.959 -45.4128 283.973 GPRESSURE: 1790800 436.613 176.738 60.7741 132.758 82.0746 -34.1953 124.261 -29.1638 338.491 PRESSAVG: 1790800 0.878667 5.21161 -31.1852 5.21156 47.6414 -4.09619 -31.1852 -4.09619 -45.6028 GPRESSAVG: 1790800 1.87271 8.33636 -31.1068 3.24068 45.6122 -4.66546 -30.2095 -1.86037 -44.2691 TIMING: 1790800 CPU: 5347.77, 0.00297245/step Wall: 5347.77, 0.00297245/step, 2.64977 hours remaining, 206.515625 MB of memory in use. ENERGY: 1790800 774.8236 2060.5762 1943.2746 118.5831 -206117.2157 17961.7628 0.0000 0.0000 34302.6795 -148955.5160 299.5738 -183258.1954 -148862.7208 300.3415 252.8730 285.7262 555975.2701 0.9724 1.0719 PRESSURE: 1791000 214.995 120.91 46.4008 120.911 182.675 -92.5517 46.4011 -92.5512 -117.884 GPRESSURE: 1791000 250.084 55.7327 34.1417 73.5348 155.182 -148.757 74.1966 -12.4787 -39.4193 PRESSAVG: 1791000 -38.8828 41.2089 -50.3126 41.2088 34.2665 60.7844 -50.3126 60.7844 -19.5312 GPRESSAVG: 1791000 -38.3648 38.3925 -49.3432 40.5749 34.603 61.2131 -51.359 59.9557 -19.6288 TIMING: 1791000 CPU: 5348.37, 0.00299843/step Wall: 5348.37, 0.00299843/step, 2.67277 hours remaining, 206.515625 MB of memory in use. ENERGY: 1791000 736.4400 2062.5787 1928.4311 123.6673 -206183.2183 17865.1246 0.0000 0.0000 34442.6951 -149024.2815 300.7966 -183466.9765 -148926.4101 299.8310 93.2622 121.9490 558206.7625 -8.0492 -7.7969 PRESSURE: 1791200 152.991 16.3916 -70.1026 16.3927 128.083 -117.099 -70.1036 -117.1 263.053 GPRESSURE: 1791200 238.144 156.01 -31.0364 -31.2037 192.376 35.2709 -102.136 -164.266 209.813 PRESSAVG: 1791200 16.8876 31.5812 -37.857 31.5812 19.2691 37.8174 -37.8571 37.8175 17.7289 GPRESSAVG: 1791200 16.1224 33.3528 -37.5214 32.6047 20.7069 40.3268 -38.3578 37.4912 16.7401 TIMING: 1791200 CPU: 5348.97, 0.0029854/step Wall: 5348.97, 0.0029854/step, 2.66099 hours remaining, 206.515625 MB of memory in use. ENERGY: 1791200 709.8145 2062.6508 1941.8707 100.6687 -206301.8685 17957.1499 0.0000 0.0000 34379.2226 -149150.4912 300.2423 -183529.7138 -149059.0388 299.2599 181.3757 213.4443 556836.6975 17.9619 17.8565 PRESSURE: 1791400 124.638 -63.714 92.7941 -63.7147 47.9755 20.3926 92.7941 20.3945 -49.296 GPRESSURE: 1791400 141.13 -80.9503 96.2028 -14.4887 104.62 24.5358 90.42 38.7624 -18.2907 PRESSAVG: 1791400 9.17015 45.8106 33.5435 45.8106 9.34432 -47.9941 33.5436 -47.9941 -17.9478 GPRESSAVG: 1791400 9.47687 44.6601 30.6484 45.9842 8.56492 -49.0947 35.875 -48.1827 -17.714 TIMING: 1791400 CPU: 5349.57, 0.00299528/step Wall: 5349.57, 0.00299528/step, 2.66963 hours remaining, 206.515625 MB of memory in use. ENERGY: 1791400 743.1721 2077.2866 1975.4691 114.8994 -206449.2204 18010.4031 0.0000 0.0000 34113.6799 -149414.3101 297.9233 -183527.9900 -149304.7623 299.2339 41.1059 75.8200 558020.4886 0.1889 0.1093 PRESSURE: 1791600 -328.893 124.613 63.985 124.612 277.788 5.71271 63.9849 5.71126 84.7978 GPRESSURE: 1791600 -303.254 145.12 59.7037 7.36738 360.982 -13.202 17.9165 -49.3622 66.0433 PRESSAVG: 1791600 -17.808 54.7567 -19.8014 54.7566 47.319 -16.8968 -19.8014 -16.8969 -44.659 GPRESSAVG: 1791600 -19.3095 55.7823 -18.0219 52.9528 47.979 -16.7976 -20.664 -17.4531 -43.97 TIMING: 1791600 CPU: 5350.17, 0.00301632/step Wall: 5350.17, 0.00301632/step, 2.68821 hours remaining, 206.515625 MB of memory in use. ENERGY: 1791600 724.7053 2018.9088 1950.1684 122.1658 -205874.9342 17680.6523 0.0000 0.0000 34153.0960 -149225.2377 298.2675 -183378.3337 -149136.3543 299.0213 11.2311 41.2570 557408.6819 -5.0493 -5.1002 PRESSURE: 1791800 434.482 196.437 126.254 196.437 92.4677 75.7952 126.254 75.7942 50.1592 GPRESSURE: 1791800 465.717 191.408 156.136 230.582 122.464 13.6398 126.086 83.0445 87.0988 PRESSAVG: 1791800 -26.8894 18.7095 16.8321 18.7096 -11.9564 -18.258 16.832 -18.258 39.6796 GPRESSAVG: 1791800 -25.9904 17.4252 15.2821 20.295 -11.7807 -19.2674 15.9176 -16.8776 39.3039 TIMING: 1791800 CPU: 5350.77, 0.00301239/step Wall: 5350.77, 0.00301239/step, 2.68454 hours remaining, 206.515625 MB of memory in use. ENERGY: 1791800 752.7489 2071.5797 1957.0382 110.5392 -206759.5502 18205.8209 0.0000 0.0000 34385.9011 -149275.9222 300.3006 -183661.8233 -149179.5393 299.1408 192.3696 225.0932 557824.7191 0.2779 0.5109 PRESSURE: 1792000 186.128 110.79 -113.104 110.79 70.5946 -35.5556 -113.103 -35.5539 371.125 GPRESSURE: 1792000 300.968 183.095 -149.483 82.6719 82.9669 -87.1241 -46.2402 -9.64448 355.521 PRESSAVG: 1792000 60.7707 -1.01364 17.0433 -1.01363 -47.356 -14.1123 17.0433 -14.1122 44.1967 GPRESSAVG: 1792000 61.5302 -1.88657 18.2967 -1.68563 -48.1863 -11.6854 19.6096 -15.3538 44.6766 TIMING: 1792000 CPU: 5351.38, 0.00301016/step Wall: 5351.38, 0.00301016/step, 2.68239 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1792000 742.3978 2056.0349 1945.2606 124.1149 -206461.5448 18017.5286 0.0000 0.0000 34277.6905 -149298.5174 299.3556 -183576.2080 -149197.6700 299.4421 209.2824 246.4855 558155.1777 19.2038 19.3402 PRESSURE: 1792200 -133.316 -70.1923 -24.7477 -70.1925 62.2759 -60.3033 -24.7468 -60.3034 -66.1235 GPRESSURE: 1792200 -59.466 -103.241 73.8309 -87.1557 42.3929 -85.0713 -63.9007 -27.337 -17.8729 PRESSAVG: 1792200 19.2867 0.532835 -1.35773 0.532807 -38.9527 21.1515 -1.35765 21.1516 12.772 GPRESSAVG: 1792200 18.0249 1.68806 -2.11236 2.36653 -38.7991 19.4739 -1.58915 20.3521 13.0292 TIMING: 1792200 CPU: 5351.98, 0.00299833/step Wall: 5351.98, 0.00299833/step, 2.67168 hours remaining, 206.515625 MB of memory in use. ENERGY: 1792200 712.0043 2071.0451 1962.3736 124.9044 -206200.7979 17792.6582 0.0000 0.0000 34144.4518 -149393.3605 298.1920 -183537.8122 -149295.2064 299.0732 -45.7211 -11.6487 557711.3841 -2.2980 -2.5817 LDB: ============= START OF LOAD BALANCING ============== 5355.53 LDB: ============== END OF LOAD BALANCING =============== 5355.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5355.53 LDB: ============= START OF LOAD BALANCING ============== 5355.83 LDB: Largest compute 4773 load 0.028620 is 24.2% of average load 0.118095 LDB: Average compute 0.001728 is 1.5% of average load 0.118095 LDB: TIME 5355.83 LOAD: AVG 0.118095 MAX 0.214832 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.219 MB LDB: TIME 5355.83 LOAD: AVG 0.118095 MAX 0.214832 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.219 MB LDB: TIME 5355.83 LOAD: AVG 0.118095 MAX 0.214832 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.219 MB LDB: ============== END OF LOAD BALANCING =============== 5355.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5355.84 PRESSURE: 1792400 15.7699 -119.416 -92.99 -119.416 158.41 68.1585 -92.9913 68.1591 157.435 GPRESSURE: 1792400 23.8427 -109.88 -81.2078 -110.124 229.914 57.3683 -120.773 85.6603 164.326 PRESSAVG: 1792400 59.9634 -44.074 -53.8624 -44.0739 -68.4067 -13.4662 -53.8624 -13.4662 -15.4986 GPRESSAVG: 1792400 60.9105 -44.2235 -50.9727 -44.5104 -68.392 -12.5996 -56.7071 -13.1013 -17.2084 TIMING: 1792400 CPU: 5352.59, 0.00304313/step Wall: 5352.59, 0.00304313/step, 2.71143 hours remaining, 207.546875 MB of memory in use. ENERGY: 1792400 706.8301 2096.3467 1950.5295 104.5462 -206581.9468 18088.7774 0.0000 0.0000 34227.7564 -149407.1604 298.9195 -183634.9168 -149313.5068 298.5412 110.5383 139.3607 557405.9029 -7.9806 -8.2300 PRESSURE: 1792600 -58.6528 65.0275 -196.715 65.0272 -394.358 145.563 -196.715 145.563 -100.75 GPRESSURE: 1792600 -35.4255 -84.4697 -216.566 -19.7247 -425.676 126.321 -236.304 164.723 -18.6918 PRESSAVG: 1792600 21.9678 4.47368 -46.3352 4.47369 -13.5234 -10.2891 -46.3353 -10.289 -19.77 GPRESSAVG: 1792600 22.5705 4.61818 -49.356 2.605 -13.6691 -11.4132 -46.1891 -8.95757 -20.5367 TIMING: 1792600 CPU: 5353.18, 0.00298834/step Wall: 5353.18, 0.00298834/step, 2.66245 hours remaining, 207.546875 MB of memory in use. ENERGY: 1792600 731.5966 2083.1219 1943.5939 109.9316 -205943.9250 17555.4322 0.0000 0.0000 34227.5441 -149292.7047 298.9177 -183520.2488 -149195.7684 298.5001 -184.5868 -159.9310 558741.6314 -3.7752 -3.8785 PRESSURE: 1792800 -348.496 -26.4672 -31.3379 -26.4681 -106.372 0.798733 -31.3382 0.79831 -87.0061 GPRESSURE: 1792800 -309.523 64.6768 -10.8854 -55.2837 -81.4514 -48.5071 46.6002 26.5835 -48.4867 PRESSAVG: 1792800 -11.3325 -72.3114 -13.5536 -72.3114 -21.5283 34.205 -13.5538 34.205 39.1612 GPRESSAVG: 1792800 -12.0625 -75.0475 -13.57 -68.6372 -22.959 33.6221 -12.8011 34.2588 42.1714 TIMING: 1792800 CPU: 5353.78, 0.0029649/step Wall: 5353.78, 0.0029649/step, 2.6414 hours remaining, 207.546875 MB of memory in use. ENERGY: 1792800 711.6703 2089.3017 1953.1973 120.4410 -206266.2951 17847.4403 0.0000 0.0000 34227.2088 -149317.0356 298.9147 -183544.2444 -149216.7952 298.8139 -180.6248 -146.4869 558128.7279 2.1001 2.3833 PRESSURE: 1793000 294.781 -203.609 82.4497 -203.61 7.90232 36.1745 82.4493 36.1738 -189.781 GPRESSURE: 1793000 317.04 -165.766 143.955 -112.992 80.7239 90.0554 54.6513 55.4176 -180.7 PRESSAVG: 1793000 47.7998 6.81736 -10.0865 6.81725 38.9647 19.4977 -10.0864 19.4976 -73.831 GPRESSAVG: 1793000 47.525 10.1991 -10.3853 3.89588 40.0092 20.3611 -8.96507 18.3444 -74.5318 TIMING: 1793000 CPU: 5354.37, 0.00297552/step Wall: 5354.37, 0.00297552/step, 2.6507 hours remaining, 207.546875 MB of memory in use. ENERGY: 1793000 714.2021 2092.1763 1963.9026 104.5359 -206217.8768 17854.3326 0.0000 0.0000 34090.6006 -149398.1267 297.7217 -183488.7272 -149301.6188 298.2083 37.6341 72.3548 558200.0552 4.3112 4.3341 PRESSURE: 1793200 -362.956 -46.6185 -1.7 -46.619 -254.705 81.2807 -1.69948 81.2806 -211.989 GPRESSURE: 1793200 -301.989 61.6595 -42.6983 -92.2841 -201.069 89.7201 -13.5902 179.158 -233.774 PRESSAVG: 1793200 55.6751 6.62486 -27.9789 6.62482 17.3418 -10.3794 -27.9788 -10.3794 -46.8627 GPRESSAVG: 1793200 55.6554 6.38439 -26.8948 7.4079 15.9541 -11.0964 -28.6714 -8.8047 -46.0272 TIMING: 1793200 CPU: 5354.97, 0.00298412/step Wall: 5354.97, 0.00298412/step, 2.65819 hours remaining, 207.546875 MB of memory in use. ENERGY: 1793200 727.6786 2126.6908 1953.6193 117.2261 -205703.5365 17275.4295 0.0000 0.0000 33922.3729 -149580.5193 296.2525 -183502.8922 -149482.7183 298.6295 -276.5501 -245.6107 557827.5903 8.7181 8.5274 PRESSURE: 1793400 -226.785 -206.787 -174.399 -206.787 -413.363 -93.7833 -174.399 -93.7825 -101.605 GPRESSURE: 1793400 -210.817 -302.556 -112.531 -142.693 -381.69 -98.4536 -97.3719 -105.984 -54.6071 PRESSAVG: 1793400 -5.89384 20.1178 -17.4969 20.1177 24.6651 -3.28965 -17.4969 -3.28968 31.5889 GPRESSAVG: 1793400 -5.05369 19.8917 -16.4426 20.0989 25.2546 -2.65319 -17.1901 -5.24188 30.2287 TIMING: 1793400 CPU: 5355.56, 0.00298379/step Wall: 5355.56, 0.00298379/step, 2.65773 hours remaining, 207.546875 MB of memory in use. ENERGY: 1793400 760.2276 2027.8013 1945.6674 121.4373 -206169.8056 17552.6470 0.0000 0.0000 34324.0563 -149437.9687 299.7605 -183762.0250 -149336.2903 297.9994 -247.2512 -215.7046 556796.2355 16.7867 16.8099 PRESSURE: 1793600 182.865 107.397 -185.983 107.396 97.0416 66.794 -185.983 66.7932 118.066 GPRESSURE: 1793600 195.205 124.453 -203.932 109.975 127.341 60.2408 -246.804 45.4969 161.201 PRESSAVG: 1793600 -15.2439 -21.0787 -57.5139 -21.0785 23.0756 -6.60217 -57.5139 -6.60215 -11.7907 GPRESSAVG: 1793600 -16.083 -20.6955 -57.5733 -21.6567 23.0931 -7.82549 -57.9514 -5.10352 -10.6771 TIMING: 1793600 CPU: 5356.16, 0.00299645/step Wall: 5356.16, 0.00299645/step, 2.66884 hours remaining, 207.546875 MB of memory in use. ENERGY: 1793600 763.5113 2129.9036 1916.8158 102.5627 -206644.0751 18081.2620 0.0000 0.0000 34156.0681 -149493.9516 298.2934 -183650.0197 -149400.8235 298.4479 132.6575 161.2491 556279.0365 -1.3197 -1.2223 PRESSURE: 1793800 -221.85 -55.2731 11.162 -55.2741 -0.83607 65.6756 11.1621 65.6754 21.404 GPRESSURE: 1793800 -138.312 -26.8193 42.121 26.4877 -49.4229 102.081 7.3541 67.7841 75.301 PRESSAVG: 1793800 -3.92187 -17.7221 -55.8583 -17.7221 -14.2997 20.6404 -55.8583 20.6403 44.8366 GPRESSAVG: 1793800 -2.59417 -18.0997 -57.665 -18.1408 -14.7345 20.5774 -53.8736 18.0554 44.0444 TIMING: 1793800 CPU: 5356.77, 0.00300641/step Wall: 5356.77, 0.00300641/step, 2.67755 hours remaining, 207.546875 MB of memory in use. ENERGY: 1793800 741.6149 2073.4259 1932.5059 107.4499 -206649.6221 17753.1287 0.0000 0.0000 34413.5875 -149627.9093 300.5424 -184041.4968 -149526.6787 298.4857 -67.0941 -37.4780 557019.7613 8.8717 8.9052 PRESSURE: 1794000 -132.285 -157.872 -51.4001 -157.872 -50.446 -47.3843 -51.4002 -47.3847 -60.5027 GPRESSURE: 1794000 -119.969 -102.53 -76.0406 -147.196 0.319794 -77.0228 -37.7582 -3.55712 -19.9881 PRESSAVG: 1794000 -11.6993 -8.17039 -13.1955 -8.17045 -5.63655 14.378 -13.1955 14.3779 47.1089 GPRESSAVG: 1794000 -12.7123 -8.64909 -15.2386 -8.93621 -3.60498 14.2414 -13.4505 16.3917 46.403 TIMING: 1794000 CPU: 5357.36, 0.00299572/step Wall: 5357.36, 0.00299572/step, 2.66786 hours remaining, 207.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1794000 723.1498 2035.8888 1913.3527 107.9986 -206295.2265 17714.1816 0.0000 0.0000 34262.5496 -149538.1054 299.2234 -183800.6550 -149440.1051 298.5475 -81.0780 -46.5459 556107.3119 9.9243 10.0286 PRESSURE: 1794200 -170.524 -39.6441 -137.831 -39.6443 25.8001 -40.692 -137.83 -40.6923 -61.5472 GPRESSURE: 1794200 -117.689 -35.5343 -127.589 80.3143 46.3929 -44.9045 -73.9752 20.2599 -41.638 PRESSAVG: 1794200 -74.3172 -42.9102 20.5811 -42.9103 36.3411 -8.41182 20.5812 -8.41181 14.8876 GPRESSAVG: 1794200 -73.2782 -39.933 24.2568 -42.9683 36.0899 -6.6549 18.919 -9.27855 14.5226 TIMING: 1794200 CPU: 5357.96, 0.00296755/step Wall: 5357.96, 0.00296755/step, 2.64261 hours remaining, 207.546875 MB of memory in use. ENERGY: 1794200 732.8014 2066.6257 1954.8172 121.5264 -206190.4288 17598.4736 0.0000 0.0000 34146.0939 -149570.0907 298.2063 -183716.1846 -149472.6973 298.2046 -68.7572 -37.6447 555529.2936 -7.6962 -7.5552 PRESSURE: 1794400 -22.9187 -125.561 75.0365 -125.561 -27.6823 -123.874 75.0359 -123.873 56.7321 GPRESSURE: 1794400 20.2224 -165.218 111.983 -86.5481 -34.8815 -95.4364 77.602 -65.4595 121.206 PRESSAVG: 1794400 -14.146 -6.70263 -14.2455 -6.70265 20.6409 -44.7121 -14.2455 -44.712 33.2264 GPRESSAVG: 1794400 -14.4261 -12.1955 -14.922 -4.33203 19.9121 -46.0997 -14.7067 -43.7989 34.0752 TIMING: 1794400 CPU: 5358.55, 0.00296585/step Wall: 5358.55, 0.00296585/step, 2.64092 hours remaining, 207.546875 MB of memory in use. ENERGY: 1794400 725.1813 2085.7554 1936.3706 101.0187 -206066.2193 17628.4286 0.0000 0.0000 34019.6175 -149569.8472 297.1018 -183589.4647 -149468.6171 297.8435 2.0437 35.5155 555711.1515 13.2404 13.1871 PRESSURE: 1794600 -2.89238 -119.806 -13.4631 -119.807 -224.511 -51.3912 -13.4634 -51.3915 -269.731 GPRESSURE: 1794600 77.682 -193.565 -65.6026 -116.645 -146.694 -65.8723 -22.6405 -16.2705 -332.571 PRESSAVG: 1794600 -56.2445 -30.8913 41.8944 -30.8914 17.2596 -22.4427 41.8943 -22.4426 54.1383 GPRESSAVG: 1794600 -56.5072 -29.7431 41.9592 -31.9921 17.1827 -22.1414 42.4381 -21.1887 54.7155 TIMING: 1794600 CPU: 5359.15, 0.00297905/step Wall: 5359.15, 0.00297905/step, 2.65251 hours remaining, 207.546875 MB of memory in use. ENERGY: 1794600 725.0170 2026.6171 1938.1326 103.6239 -206083.7384 17549.6969 0.0000 0.0000 34220.8840 -149519.7669 298.8595 -183740.6509 -149433.1418 298.1573 -165.7113 -133.8612 557342.1666 5.0512 5.1303 PRESSURE: 1794800 -71.5202 -155.614 225.638 -155.613 -178.654 10.4347 225.638 10.4347 202.584 GPRESSURE: 1794800 -27.1317 -169.197 217.477 -126.202 -98.0386 35.4271 228.827 -3.36688 170.003 PRESSAVG: 1794800 -35.5722 -21.0726 17.0431 -21.0726 -54.6296 3.93415 17.043 3.93396 69.6499 GPRESSAVG: 1794800 -35.6073 -20.2736 16.7843 -21.2166 -54.7975 5.59271 18.5716 1.36501 70.2275 TIMING: 1794800 CPU: 5359.74, 0.00296039/step Wall: 5359.74, 0.00296039/step, 2.63573 hours remaining, 207.546875 MB of memory in use. ENERGY: 1794800 740.2688 2058.9471 1935.5536 94.3824 -206620.7221 17791.7575 0.0000 0.0000 34396.7483 -149603.0642 300.3954 -183999.8126 -149511.7399 298.1740 -15.8635 14.9442 555983.5063 -6.8506 -6.7258 PRESSURE: 1795000 22.5821 -181.191 -29.5903 -181.192 67.9381 -32.6362 -29.5915 -32.637 183.512 GPRESSURE: 1795000 40.9035 -183.738 43.2182 -204.841 116.416 -50.5905 -25.5393 47.777 212.017 PRESSAVG: 1795000 -3.85959 21.5822 44.3363 21.5822 -22.1204 -41.439 44.3364 -41.4389 26.1654 GPRESSAVG: 1795000 -3.4678 22.258 44.756 20.4607 -23.265 -42.5387 41.0164 -40.1642 26.4425 TIMING: 1795000 CPU: 5360.33, 0.00297506/step Wall: 5360.33, 0.00297506/step, 2.64863 hours remaining, 207.546875 MB of memory in use. ENERGY: 1795000 720.9772 2028.9414 1957.1603 115.2095 -206468.1922 17892.3803 0.0000 0.0000 34122.1464 -149631.3770 297.9972 -183753.5234 -149541.8347 297.3131 91.3442 123.1122 555348.2821 0.0618 -0.0968 PRESSURE: 1795200 83.2268 95.5585 216.913 95.5609 -112.091 9.75483 216.914 9.75541 -184.886 GPRESSURE: 1795200 84.2117 236.522 173.74 -31.3555 -41.0953 -8.71135 145.451 -33.2377 -157.526 PRESSAVG: 1795200 0.845218 72.6804 -2.2935 72.6804 -30.477 -27.7308 -2.29353 -27.7308 30.9112 GPRESSAVG: 1795200 0.934985 73.4203 -2.99707 73.2858 -29.7025 -27.865 -3.13536 -27.7239 30.4579 TIMING: 1795200 CPU: 5360.93, 0.00298009/step Wall: 5360.93, 0.00298009/step, 2.65295 hours remaining, 207.546875 MB of memory in use. ENERGY: 1795200 763.7677 2120.3146 1925.1853 100.3323 -206511.6169 17791.7730 0.0000 0.0000 34251.1467 -149559.0973 299.1238 -183810.2440 -149469.5277 298.8702 -71.2503 -38.1365 556068.9024 0.4265 0.5634 PRESSURE: 1795400 -34.5394 30.3215 95.6375 30.3222 -20.1402 -49.6584 95.6376 -49.6589 -116.243 GPRESSURE: 1795400 11.4833 41.2093 121.516 -31.3924 -51.7499 -123.149 89.0423 -38.1586 -25.1665 PRESSAVG: 1795400 -56.264 -10.0146 14.1917 -10.0146 48.2312 -37.4479 14.1916 -37.4478 12.5719 GPRESSAVG: 1795400 -55.2984 -10.3686 13.772 -9.29298 48.4604 -39.4103 18.7234 -37.7266 11.2777 TIMING: 1795400 CPU: 5361.53, 0.002997/step Wall: 5361.53, 0.002997/step, 2.66783 hours remaining, 207.546875 MB of memory in use. ENERGY: 1795400 729.5517 2048.0958 1939.4620 124.9571 -206225.0996 17738.8135 0.0000 0.0000 34134.0817 -149510.1376 298.1014 -183644.2194 -149414.6571 298.6545 -56.9741 -21.8110 557399.4482 1.5130 1.4799 PRESSURE: 1795600 -129.376 -17.2854 20.8597 -17.2862 -211.77 22.3807 20.86 22.3802 -40.1036 GPRESSURE: 1795600 -120.661 -10.2866 77.3561 15.4484 -155.309 -23.6244 -37.2389 22.1652 -4.28384 PRESSAVG: 1795600 48.9587 16.8444 -5.80599 16.8444 -88.1034 -46.8948 -5.80605 -46.8948 13.3018 GPRESSAVG: 1795600 48.3601 17.9526 -6.14378 15.8349 -88.2218 -46.8867 -6.54381 -44.7263 13.8655 TIMING: 1795600 CPU: 5362.13, 0.00300265/step Wall: 5362.13, 0.00300265/step, 2.67269 hours remaining, 207.546875 MB of memory in use. ENERGY: 1795600 779.1029 2030.9913 1958.8866 123.7809 -206248.7081 17710.9660 0.0000 0.0000 34098.0252 -149546.9551 297.7865 -183644.9803 -149447.4147 298.7886 -127.0831 -93.4178 558895.0105 -8.6143 -8.6654 PRESSURE: 1795800 5.63964 -39.9153 14.5396 -39.9161 55.3717 -62.2792 14.5387 -62.2795 139.813 GPRESSURE: 1795800 79.9559 -3.85759 125.147 -25.131 52.061 -142.716 -115.273 -5.77692 165.089 PRESSAVG: 1795800 -43.0181 -29.3978 16.8625 -29.3979 -31.2831 -26.5477 16.8623 -26.5477 86.5832 GPRESSAVG: 1795800 -44.4178 -31.6716 17.7811 -28.9505 -30.9764 -27.6636 17.5118 -26.1705 87.3503 TIMING: 1795800 CPU: 5362.73, 0.00299851/step Wall: 5362.73, 0.00299851/step, 2.66884 hours remaining, 207.546875 MB of memory in use. ENERGY: 1795800 751.5506 2051.9196 1936.5994 104.1591 -206763.0284 18136.2239 0.0000 0.0000 34141.3460 -149641.2298 298.1649 -183782.5758 -149547.1822 297.9328 66.9416 99.0352 558291.0615 4.0940 3.9854 PRESSURE: 1796000 -94.2542 -136.789 -155.042 -136.788 85.3188 4.14423 -155.04 4.14334 168.054 GPRESSURE: 1796000 -48.0109 -122.573 -159.389 -253.042 107.936 -84.1227 -24.2191 109.426 191.124 PRESSAVG: 1796000 -17.4062 33.9898 -10.0331 33.9897 -16.9893 -41.9637 -10.0331 -41.9636 -11.2712 GPRESSAVG: 1796000 -16.8835 34.6267 -10.9773 33.4296 -16.632 -38.6775 -9.83795 -44.7237 -12.0115 TIMING: 1796000 CPU: 5363.33, 0.00297838/step Wall: 5363.33, 0.00297838/step, 2.65076 hours remaining, 207.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1796000 755.3788 2059.0500 1930.3941 114.6526 -206565.2764 17917.5458 0.0000 0.0000 34213.4637 -149574.7914 298.7947 -183788.2551 -149479.6802 297.8439 53.0397 83.6829 556836.4703 -15.2223 -15.1757 PRESSURE: 1796200 -204.549 -53.4979 -56.7494 -53.4977 -115.582 -149.681 -56.7501 -149.681 43.2343 GPRESSURE: 1796200 -226.602 -52.8715 -55.9619 -6.17986 -99.1582 -148.734 -8.59486 -96.3581 139.147 PRESSAVG: 1796200 -39.0144 35.7934 30.6213 35.7934 -31.7373 -18.5042 30.6213 -18.5041 36.6157 GPRESSAVG: 1796200 -39.9773 35.0767 31.8484 38.3046 -31.8055 -20.6312 29.2466 -16.5313 37.2642 TIMING: 1796200 CPU: 5363.92, 0.00299517/step Wall: 5363.92, 0.00299517/step, 2.66554 hours remaining, 207.546875 MB of memory in use. ENERGY: 1796200 748.9715 2085.0356 1943.9204 110.7371 -206333.9077 17750.1740 0.0000 0.0000 34204.4555 -149490.6137 298.7160 -183695.0691 -149401.8138 298.2130 -92.2988 -62.2043 558178.8602 -11.3787 -11.5062 LDB: ============= START OF LOAD BALANCING ============== 5367.47 LDB: ============== END OF LOAD BALANCING =============== 5367.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5367.47 LDB: ============= START OF LOAD BALANCING ============== 5367.77 LDB: Largest compute 4773 load 0.029930 is 25.3% of average load 0.118149 LDB: Average compute 0.001728 is 1.5% of average load 0.118149 LDB: TIME 5367.78 LOAD: AVG 0.118149 MAX 0.214307 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.84 MB LDB: TIME 5367.78 LOAD: AVG 0.118149 MAX 0.214307 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.84 MB LDB: TIME 5367.78 LOAD: AVG 0.118149 MAX 0.214307 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.84 MB LDB: ============== END OF LOAD BALANCING =============== 5367.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5367.78 PRESSURE: 1796400 -180.478 -29.3998 27.9364 -29.399 70.6564 27.4842 27.9348 27.4845 -52.9331 GPRESSURE: 1796400 -157.884 -15.4807 17.5149 -64.08 90.6183 -22.9767 -19.347 21.8721 -8.37365 PRESSAVG: 1796400 -47.8628 17.7245 6.98443 17.7245 27.7891 19.8908 6.98432 19.8909 -25.3684 GPRESSAVG: 1796400 -45.965 17.2757 7.43251 17.5756 26.6619 20.2944 6.50768 19.481 -26.3762 TIMING: 1796400 CPU: 5364.53, 0.00304485/step Wall: 5364.53, 0.00304485/step, 2.70958 hours remaining, 207.289062 MB of memory in use. ENERGY: 1796400 776.9291 2057.2857 1932.1227 115.9884 -206091.5329 17852.8013 0.0000 0.0000 34211.8515 -149144.5541 298.7806 -183356.4056 -149046.5390 299.1202 -54.2515 -25.2132 558844.0481 -15.1474 -15.2265 PRESSURE: 1796600 57.3962 -18.8044 101.931 -18.8047 -51.649 -146.818 101.933 -146.819 -21.6235 GPRESSURE: 1796600 38.9738 3.72243 75.5629 -14.5792 60.1954 -209.764 83.2052 -140.338 -21.7002 PRESSAVG: 1796600 90.1993 5.38796 2.35965 5.38802 -8.22441 -16.4076 2.35969 -16.4077 -43.7174 GPRESSAVG: 1796600 88.9538 8.22929 -0.217018 3.98428 -7.49576 -16.9548 3.54084 -15.6933 -43.0833 TIMING: 1796600 CPU: 5365.13, 0.00296964/step Wall: 5365.13, 0.00296964/step, 2.64249 hours remaining, 207.289062 MB of memory in use. ENERGY: 1796600 740.6529 2083.8694 1948.2650 105.9685 -206225.8003 17942.0539 0.0000 0.0000 34212.3589 -149192.6317 298.7850 -183404.9906 -149091.7288 299.5744 -5.2921 25.8230 556916.3327 12.7525 12.7916 PRESSURE: 1796800 192.048 59.9629 -47.9631 59.9628 11.2139 -117.865 -47.962 -117.864 -166.255 GPRESSURE: 1796800 155.839 30.3829 -47.9509 63.2418 47.6089 -71.1393 -67.4245 -139.357 -68.5358 PRESSAVG: 1796800 -27.9776 -27.9733 15.248 -27.9734 38.4995 -6.72488 15.2479 -6.72488 27.9196 GPRESSAVG: 1796800 -27.5289 -29.1702 18.1072 -27.9773 38.4341 -4.54438 13.644 -8.11217 27.9301 TIMING: 1796800 CPU: 5365.72, 0.00296472/step Wall: 5365.72, 0.00296472/step, 2.63794 hours remaining, 207.289062 MB of memory in use. ENERGY: 1796800 766.3077 2137.1112 1941.8865 103.3000 -206319.2119 17860.2298 0.0000 0.0000 34336.2468 -149174.1299 299.8670 -183510.3766 -149077.0956 299.5018 12.3357 44.9706 555430.0079 12.8138 12.9451 PRESSURE: 1797000 -173.675 174.784 -5.49608 174.783 127.933 -139.084 -5.49685 -139.082 -123.702 GPRESSURE: 1797000 -84.0891 125.8 42.055 148.683 98.7802 -189.783 -97.8097 -78.7471 -91.9709 PRESSAVG: 1797000 -37.7014 -21.2342 35.081 -21.2342 -8.0096 -62.9924 35.081 -62.9923 37.3852 GPRESSAVG: 1797000 -37.5631 -20.6779 34.2539 -22.3794 -8.14719 -66.1003 34.66 -62.0828 37.162 TIMING: 1797000 CPU: 5366.32, 0.00297831/step Wall: 5366.32, 0.00297831/step, 2.64987 hours remaining, 207.289062 MB of memory in use. ENERGY: 1797000 729.8111 2079.7878 1911.5154 114.7410 -206226.5021 17678.5941 0.0000 0.0000 34595.5924 -149116.4603 302.1319 -183712.0528 -149021.1545 299.6327 -56.4811 -25.7599 556001.9180 -2.7753 -2.8494 PRESSURE: 1797200 -57.5023 71.4545 187.567 71.4558 93.2885 -60.3382 187.567 -60.3387 -17.0801 GPRESSURE: 1797200 -95.8032 155.428 155.82 57.6191 138.244 -52.267 176.207 -40.1546 79.5624 PRESSAVG: 1797200 -38.2855 40.1087 47.2771 40.1086 -0.371399 16.771 47.277 16.771 2.40948 GPRESSAVG: 1797200 -38.8497 41.6262 46.65 40.4077 0.102219 18.0076 46.2481 15.7461 2.76129 TIMING: 1797200 CPU: 5366.91, 0.00299042/step Wall: 5366.91, 0.00299042/step, 2.66048 hours remaining, 207.289062 MB of memory in use. ENERGY: 1797200 705.5573 2089.8805 1933.6127 122.7164 -206173.7723 17809.7247 0.0000 0.0000 34365.5081 -149146.7726 300.1225 -183512.2807 -149044.4347 300.2778 6.2354 40.6678 557089.9294 -12.0825 -11.9954 PRESSURE: 1797400 274.787 -93.1503 -27.5361 -93.1505 -29.0099 -12.1805 -27.5346 -12.1808 223.264 GPRESSURE: 1797400 376.875 -53.9567 -14.7405 -59.2011 -59.596 -102.469 28.1322 -91.7616 250.366 PRESSAVG: 1797400 -7.69351 0.118738 1.15017 0.118718 -15.9211 27.9385 1.15019 27.9386 28.6217 GPRESSAVG: 1797400 -7.46349 0.654607 2.17837 -0.110891 -16.079 27.2435 3.69367 26.9721 28.5429 TIMING: 1797400 CPU: 5367.51, 0.00299019/step Wall: 5367.51, 0.00299019/step, 2.6601 hours remaining, 207.289062 MB of memory in use. ENERGY: 1797400 747.2716 2087.3073 1958.4640 104.0771 -206334.4547 18009.1593 0.0000 0.0000 34258.1652 -149170.0102 299.1851 -183428.1754 -149076.5665 299.4027 156.3473 189.2148 556211.9918 1.6690 1.6668 PRESSURE: 1797600 7.259 186.715 228.922 186.715 -188.282 94.2225 228.922 94.2217 247.604 GPRESSURE: 1797600 13.9824 79.9004 98.8817 228.128 -143.729 101.357 168.132 136.345 292.154 PRESSAVG: 1797600 -43.6844 28.8793 -12.3227 28.8793 -27.8798 -19.2482 -12.3227 -19.2482 60.9252 GPRESSAVG: 1797600 -42.7187 27.5734 -12.0854 29.475 -28.1681 -19.6398 -14.7571 -17.8603 59.9959 TIMING: 1797600 CPU: 5368.11, 0.00297176/step Wall: 5368.11, 0.00297176/step, 2.64354 hours remaining, 207.289062 MB of memory in use. ENERGY: 1797600 754.9194 2062.1238 1917.8216 113.8435 -206118.4311 17778.6822 0.0000 0.0000 34292.7620 -149198.2787 299.4872 -183491.0407 -149106.8174 299.9449 22.1936 54.1358 557527.5860 -3.5463 -3.6303 PRESSURE: 1797800 171.744 90.3408 -216.08 90.34 138.059 -72.9045 -216.081 -72.9055 -58.8964 GPRESSURE: 1797800 223.762 86.333 -232.139 71.1009 151.44 -47.1658 -167.555 -152.767 -33.359 PRESSAVG: 1797800 -50.6113 23.2851 -9.74415 23.285 5.90393 0.4194 -9.74411 0.419582 52.2851 GPRESSAVG: 1797800 -51.387 22.5228 -11.1749 24.8224 6.80409 0.0290742 -7.71732 -0.390226 52.7179 TIMING: 1797800 CPU: 5368.7, 0.002953/step Wall: 5368.7, 0.002953/step, 2.6267 hours remaining, 207.289062 MB of memory in use. ENERGY: 1797800 755.4175 2116.0288 1932.4482 112.1848 -206314.8678 17858.5911 0.0000 0.0000 34234.2488 -149305.9486 298.9762 -183540.1974 -149207.0860 299.0381 83.6356 113.9477 556878.8393 2.5259 2.7117 PRESSURE: 1798000 -209.302 40.139 20.9086 40.1392 100.331 -188.744 20.9086 -188.744 93.4976 GPRESSURE: 1798000 -205.055 29.5377 107.784 33.6477 174.925 -47.8867 11.7702 -240.751 114.832 PRESSAVG: 1798000 -26.2946 8.64561 -42.4041 8.64565 54.0154 -63.2105 -42.4042 -63.2104 0.551745 GPRESSAVG: 1798000 -26.6572 8.16098 -42.2488 7.08372 53.4805 -63.7846 -39.8545 -62.634 1.4804 TIMING: 1798000 CPU: 5369.29, 0.00297586/step Wall: 5369.29, 0.00297586/step, 2.64686 hours remaining, 207.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1798000 732.5013 2105.1116 1931.9767 101.2014 -206066.9484 17767.6099 0.0000 0.0000 34118.4214 -149310.1261 297.9647 -183428.5475 -149210.3549 299.4031 -5.1576 28.2338 555104.0768 9.4242 9.4346 PRESSURE: 1798200 -525.112 12.0936 -18.3924 12.0938 -130.222 -58.3162 -18.3945 -58.3172 -26.9335 GPRESSURE: 1798200 -487.192 -18.0202 14.6572 18.7708 -143.35 -67.2325 -51.3975 -32.8197 40.2573 PRESSAVG: 1798200 -34.8361 -11.1031 16.5521 -11.103 55.8055 -9.8666 16.5521 -9.86676 -42.5998 GPRESSAVG: 1798200 -33.9017 -10.6601 17.6962 -10.7981 55.0853 -8.3821 13.0113 -9.56777 -43.039 TIMING: 1798200 CPU: 5369.89, 0.00299512/step Wall: 5369.89, 0.00299512/step, 2.66383 hours remaining, 207.289062 MB of memory in use. ENERGY: 1798200 767.6730 2130.1886 1901.1008 112.6275 -206103.3247 17620.4496 0.0000 0.0000 34280.1986 -149291.0866 299.3775 -183571.2852 -149194.8067 299.3513 -227.4224 -196.7614 556909.7878 -7.2101 -7.2852 PRESSURE: 1798400 -264.389 -92.4531 -0.544369 -92.4505 -53.6923 75.7238 -0.54342 75.7244 91.8507 GPRESSURE: 1798400 -191.049 -46.4203 -20.7371 -13.2038 -32.5253 144.827 1.15196 -0.290193 99.6614 PRESSAVG: 1798400 -61.9135 -2.6383 21.5534 -2.63824 21.5157 58.4939 21.5534 58.4938 35.0884 GPRESSAVG: 1798400 -62.3837 -5.37845 20.0334 0.212138 22.9167 59.809 21.6522 57.846 34.2533 TIMING: 1798400 CPU: 5370.49, 0.00300553/step Wall: 5370.49, 0.00300553/step, 2.67292 hours remaining, 207.289062 MB of memory in use. ENERGY: 1798400 741.9858 2158.7681 1943.0293 114.4999 -206043.2200 17641.3629 0.0000 0.0000 34211.0034 -149232.5706 298.7732 -183443.5740 -149131.1079 299.8720 -75.4101 -41.3042 557284.3071 -1.7698 -1.7379 PRESSURE: 1798600 -237.293 122.04 -8.39587 122.04 -37.8469 41.0245 -8.39641 41.0248 -2.05253 GPRESSURE: 1798600 -199.666 172.516 48.7038 66.3783 -5.86257 -19.9957 -53.4843 128.215 37.3578 PRESSAVG: 1798600 -5.13355 54.2766 -26.6515 54.2767 -3.38522 -25.5166 -26.6515 -25.5166 -3.07158 GPRESSAVG: 1798600 -4.73771 56.5073 -25.0398 52.8791 -5.14045 -27.7145 -25.7079 -25.0423 -1.39693 TIMING: 1798600 CPU: 5371.09, 0.00300263/step Wall: 5371.09, 0.00300263/step, 2.67017 hours remaining, 207.289062 MB of memory in use. ENERGY: 1798600 751.6172 2174.4234 1938.6513 127.7184 -205760.7271 17478.7579 0.0000 0.0000 34138.1262 -149151.4326 298.1367 -183289.5588 -149060.4764 299.6435 -92.3975 -56.0569 556910.5422 -3.8635 -3.7584 PRESSURE: 1798800 138.037 86.2933 -25.5895 86.2925 -109.498 54.8998 -25.5885 54.9008 -44.3549 GPRESSURE: 1798800 191.623 168.759 -75.8754 -21.9515 -52.0178 121.213 -78.4866 -5.0913 -68.1104 PRESSAVG: 1798800 -20.3036 -14.2776 24.2209 -14.2776 -52.8128 -13.522 24.221 -13.5219 64.9275 GPRESSAVG: 1798800 -20.498 -15.3341 24.8922 -13.9765 -51.9894 -13.7124 23.0083 -12.6031 63.8665 TIMING: 1798800 CPU: 5371.69, 0.00297437/step Wall: 5371.69, 0.00297437/step, 2.64488 hours remaining, 207.289062 MB of memory in use. ENERGY: 1798800 773.5988 2105.4234 1953.5885 103.6309 -206133.0294 17811.4723 0.0000 0.0000 34299.2720 -149086.0435 299.5441 -183385.3155 -148989.1152 299.2260 -5.2718 23.8317 557129.1326 -2.7296 -2.8736 PRESSURE: 1799000 -156.634 -70.3187 -46.7364 -70.3183 -67.9826 -113.077 -46.7368 -113.077 -267.257 GPRESSURE: 1799000 -121.567 -71.4119 -67.2103 -119.923 -103.763 -88.0807 -28.9848 -144.087 -192.565 PRESSAVG: 1799000 31.0591 16.4703 6.17615 16.4703 -24.1451 -21.4955 6.17616 -21.4955 1.71436 GPRESSAVG: 1799000 30.377 17.3524 4.96658 14.0212 -23.9442 -20.0264 7.02752 -20.3891 2.34676 TIMING: 1799000 CPU: 5372.29, 0.0030036/step Wall: 5372.29, 0.0030036/step, 2.6707 hours remaining, 207.289062 MB of memory in use. ENERGY: 1799000 781.0748 2139.5432 1933.1390 107.4276 -206185.2657 17664.2381 0.0000 0.0000 34296.5588 -149263.2843 299.5204 -183559.8431 -149168.4714 299.8255 -163.9577 -139.2986 557290.7644 2.8761 2.9265 PRESSURE: 1799200 401.699 49.1895 -80.4887 49.189 109.715 -42.4916 -80.4882 -42.4924 5.69428 GPRESSURE: 1799200 422.635 117.18 -105.332 117.575 195.887 -52.9047 -79.1351 -68.5779 -3.69867 PRESSAVG: 1799200 30.1501 -12.6648 -35.1391 -12.6648 5.56815 61.6426 -35.1391 61.6427 -56.2853 GPRESSAVG: 1799200 29.583 -14.0358 -36.1297 -10.4678 5.65458 62.4895 -34.088 59.7854 -55.3622 TIMING: 1799200 CPU: 5372.89, 0.00300533/step Wall: 5372.89, 0.00300533/step, 2.67208 hours remaining, 207.289062 MB of memory in use. ENERGY: 1799200 751.6006 2062.0778 1958.3200 127.0750 -206412.3532 18003.5933 0.0000 0.0000 34209.8939 -149299.7926 298.7635 -183509.6865 -149205.1732 299.9099 172.3694 204.9410 557305.1365 -6.8557 -6.7082 PRESSURE: 1799400 -29.2285 -33.4069 4.47017 -33.4073 -261.091 39.9603 4.4698 39.9612 -303.223 GPRESSURE: 1799400 -12.3481 22.1419 41.3879 -89.0526 -215.273 129.332 -89.9851 7.45667 -263.351 PRESSAVG: 1799400 47.9414 17.4121 -27.6006 17.4121 -6.8076 42.0771 -27.6006 42.0772 -71.9057 GPRESSAVG: 1799400 48.3049 18.1328 -26.2712 15.7697 -6.43107 38.9229 -28.2175 43.8652 -72.4499 TIMING: 1799400 CPU: 5373.49, 0.00297831/step Wall: 5373.49, 0.00297831/step, 2.64789 hours remaining, 207.289062 MB of memory in use. ENERGY: 1799400 757.4675 2108.5337 1934.3731 118.4393 -205674.2394 17381.1412 0.0000 0.0000 34138.6870 -149235.5975 298.1416 -183374.2845 -149133.9470 299.3595 -197.8476 -163.6575 557800.2710 -10.2573 -10.1920 PRESSURE: 1799600 114.299 -40.2104 65.7466 -40.2108 336.284 -95.048 65.7472 -95.0493 285.79 GPRESSURE: 1799600 152.251 -67.7451 107.732 63.115 344.087 -145.765 73.9526 -25.008 332.357 PRESSAVG: 1799600 52.3234 -8.83002 -10.2055 -8.83002 -33.5416 18.6612 -10.2055 18.6612 -18.3951 GPRESSAVG: 1799600 53.0159 -9.66412 -12.2543 -8.49031 -33.9612 20.0047 -8.30548 17.014 -18.5659 TIMING: 1799600 CPU: 5374.08, 0.0029652/step Wall: 5374.08, 0.0029652/step, 2.63606 hours remaining, 207.289062 MB of memory in use. ENERGY: 1799600 710.3334 2109.8161 1940.9420 104.4291 -206294.7647 18014.1239 0.0000 0.0000 34327.0120 -149088.1082 299.7863 -183415.1203 -148990.2861 300.2621 245.4576 276.2313 555837.8612 0.1289 0.1629 PRESSURE: 1799800 -39.5011 2.52487 28.749 2.52467 178.046 -16.6368 28.7488 -16.6368 -65.8476 GPRESSURE: 1799800 -34.6781 8.78515 -19.7463 -75.2189 224.022 3.8898 49.9472 46.1624 -34.8631 PRESSAVG: 1799800 -9.64767 25.6278 -11.6072 25.6277 33.9895 23.8321 -11.6073 23.832 -55.0081 GPRESSAVG: 1799800 -10.2994 27.209 -9.77195 26.8081 34.0235 25.3993 -13.7441 23.9178 -54.9171 TIMING: 1799800 CPU: 5374.67, 0.00297148/step Wall: 5374.67, 0.00297148/step, 2.64148 hours remaining, 207.289062 MB of memory in use. ENERGY: 1799800 734.3174 2063.3694 1971.3854 106.6442 -206371.7127 17893.1264 0.0000 0.0000 34201.1733 -149401.6965 298.6874 -183602.8698 -149301.8405 299.7987 24.2323 51.4936 556744.2553 -10.2221 -10.3977 PRESSURE: 1800000 114.573 -14.8878 -66.338 -14.8875 -6.86655 -110.328 -66.3378 -110.33 146.999 GPRESSURE: 1800000 137.419 29.9069 17.2266 -70.365 38.2587 -144.295 -63.9852 -133.593 174.38 PRESSAVG: 1800000 3.68604 -43.5725 20.4835 -43.5725 63.7506 7.99707 20.4835 7.99714 2.09352 GPRESSAVG: 1800000 3.83573 -44.0923 20.6786 -44.2452 62.4512 8.953 22.0884 7.65291 3.17756 TIMING: 1800000 CPU: 5375.27, 0.0030097/step Wall: 5375.27, 0.0030097/step, 2.67529 hours remaining, 207.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1800000 719.5570 2081.6547 1981.3542 126.1043 -206817.1238 18182.3584 0.0000 0.0000 34172.3137 -149553.7814 298.4353 -183726.0951 -149458.5500 298.6291 84.9019 116.6857 556003.0009 23.1767 23.1548 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1800000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 1800000 WRITING COORDINATES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1800200 95.4526 94.2092 -41.9078 94.2104 44.2374 -85.8216 -41.9078 -85.8198 -123.725 GPRESSURE: 1800200 184.786 66.2212 -10.5944 100.854 69.4331 -71.7328 -91.9462 -84.1052 -132.735 PRESSAVG: 1800200 -27.2751 -19.6645 -27.1466 -19.6644 -6.57589 2.85534 -27.1467 2.85528 -27.0842 GPRESSAVG: 1800200 -26.3733 -18.3899 -29.1274 -20.2349 -6.08182 1.23085 -27.7 2.58582 -28.357 TIMING: 1800200 CPU: 5375.89, 0.00306185/step Wall: 5375.89, 0.00306185/step, 2.72147 hours remaining, 207.289062 MB of memory in use. ENERGY: 1800200 765.6229 2158.6061 1934.3542 117.2739 -206493.5877 17726.5421 0.0000 0.0000 34278.1027 -149513.0858 299.3592 -183791.1885 -149421.7672 298.0789 5.3218 40.4949 556072.6622 -20.3118 -20.2707 LDB: ============= START OF LOAD BALANCING ============== 5379.44 LDB: ============== END OF LOAD BALANCING =============== 5379.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5379.44 LDB: ============= START OF LOAD BALANCING ============== 5379.73 LDB: Largest compute 4773 load 0.027913 is 23.6% of average load 0.118165 LDB: Average compute 0.001730 is 1.5% of average load 0.118165 LDB: TIME 5379.74 LOAD: AVG 0.118165 MAX 0.213071 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 5379.74 LOAD: AVG 0.118165 MAX 0.213071 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 5379.74 LOAD: AVG 0.118165 MAX 0.213071 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 5379.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5379.74 PRESSURE: 1800400 380.927 152.857 105.592 152.857 279.024 -29.9905 105.592 -29.9908 -78.631 GPRESSURE: 1800400 414.647 146.054 74.9882 123.855 307.365 -25.1508 74.7429 -44.3923 -52.1411 PRESSAVG: 1800400 99.3673 34.0613 -24.6895 34.0614 -49.7568 -6.80917 -24.6895 -6.80916 -54.4229 GPRESSAVG: 1800400 98.597 32.7759 -21.3443 34.623 -50.3113 -8.69814 -27.3079 -6.48179 -53.6003 TIMING: 1800400 CPU: 5376.49, 0.00303323/step Wall: 5376.49, 0.00303323/step, 2.69587 hours remaining, 208.765625 MB of memory in use. ENERGY: 1800400 732.3855 2154.2319 1928.1436 118.4065 -206604.4607 17961.3569 0.0000 0.0000 34212.9523 -149496.9840 298.7902 -183709.9363 -149398.3414 298.6361 193.7735 223.2903 555185.4405 -1.6041 -1.7715 PRESSURE: 1800600 -110.094 -82.5728 106.475 -82.5724 -279.161 -44.0087 106.476 -44.011 -267.683 GPRESSURE: 1800600 -85.5598 16.7744 99.7087 -130.454 -262.303 -85.9094 49.0781 -112.332 -195.542 PRESSAVG: 1800600 -20.0224 37.7576 -38.9497 37.7576 30.1662 -70.876 -38.9497 -70.8761 -4.06907 GPRESSAVG: 1800600 -20.3032 35.1136 -42.2454 38.3511 31.7942 -68.0045 -35.5428 -71.4563 -5.07969 TIMING: 1800600 CPU: 5377.09, 0.00296491/step Wall: 5377.09, 0.00296491/step, 2.63499 hours remaining, 208.964844 MB of memory in use. ENERGY: 1800600 785.2957 2132.7738 1967.9523 106.1839 -206325.1068 17613.5596 0.0000 0.0000 34234.6991 -149484.6425 298.9801 -183719.3416 -149384.8922 298.9479 -218.9791 -181.1350 557327.1779 2.0249 2.1371 PRESSURE: 1800800 141.52 -212.709 -21.7992 -212.709 66.7795 -98.9778 -21.7999 -98.9786 17.5432 GPRESSURE: 1800800 150.812 -194.379 -6.70046 -180.941 90.4614 -72.3202 21.8632 -60.5195 72.007 PRESSAVG: 1800800 1.42868 -7.49361 15.8664 -7.49366 19.4062 13.1381 15.8664 13.1381 -11.7755 GPRESSAVG: 1800800 2.58309 -5.05672 16.4601 -7.27453 18.4518 12.5201 13.4947 15.6777 -11.9826 TIMING: 1800800 CPU: 5377.68, 0.0029818/step Wall: 5377.68, 0.0029818/step, 2.64982 hours remaining, 208.964844 MB of memory in use. ENERGY: 1800800 763.6331 2083.6987 1952.8060 126.9479 -206511.3327 17837.2604 0.0000 0.0000 34188.8486 -149558.1380 298.5797 -183746.9866 -149459.0809 298.9590 75.2811 104.4269 557264.5926 3.0198 3.0174 PRESSURE: 1801000 -236.072 -110.798 33.6021 -110.798 -43.2354 -33.4565 33.6032 -33.4582 -166.456 GPRESSURE: 1801000 -209.029 -122.234 78.4457 -89.1896 54.9263 -86.6203 -4.95963 -8.20057 -192.105 PRESSAVG: 1801000 13.6647 -67.2842 5.82671 -67.2842 83.6135 21.4702 5.82662 21.4702 -40.1531 GPRESSAVG: 1801000 12.8028 -67.7868 5.94237 -67.9432 83.3231 20.2771 7.19036 19.3173 -39.0187 TIMING: 1801000 CPU: 5378.29, 0.00301538/step Wall: 5378.29, 0.00301538/step, 2.6795 hours remaining, 208.964844 MB of memory in use. ENERGY: 1801000 732.7915 2122.2665 1944.0304 119.5894 -206286.2153 17704.3902 0.0000 0.0000 34240.1512 -149422.9961 299.0278 -183663.1473 -149326.4207 298.9788 -148.5878 -115.4025 559075.7888 19.0417 19.0357 PRESSURE: 1801200 82.7776 -15.6918 -29.0194 -15.6923 216.73 -49.162 -29.0171 -49.1634 -89.3103 GPRESSURE: 1801200 125.29 53.3897 -14.7448 -41.1448 193.497 3.11411 -70.5959 -29.9569 -19.6026 PRESSAVG: 1801200 -27.578 -33.5248 6.20038 -33.5247 31.1537 17.6219 6.20035 17.6219 -28.5848 GPRESSAVG: 1801200 -27.4816 -33.1546 6.57961 -32.2339 31.0784 19.0485 4.9236 17.9208 -28.3894 TIMING: 1801200 CPU: 5378.89, 0.00301448/step Wall: 5378.89, 0.00301448/step, 2.67853 hours remaining, 208.964844 MB of memory in use. ENERGY: 1801200 774.7682 2094.1534 1945.9637 107.0857 -206756.5397 17976.7979 0.0000 0.0000 34406.6871 -149451.0837 300.4822 -183857.7708 -149353.8378 298.9586 70.0658 99.7282 555547.3127 -8.3364 -8.2642 PRESSURE: 1801400 88.9956 -91.9275 54.1609 -91.9279 175.947 -88.4221 54.1609 -88.424 -11.3336 GPRESSURE: 1801400 113.724 -84.4682 28.2072 -55.7941 194.491 -124.163 3.59946 18.2328 40.3987 PRESSAVG: 1801400 -12.2007 -30.2855 17.154 -30.2856 -53.9077 60.8159 17.1541 60.8159 58.9047 GPRESSAVG: 1801400 -11.9231 -30.7596 16.673 -29.6885 -55.2249 59.0898 17.3498 63.608 59.1234 TIMING: 1801400 CPU: 5379.49, 0.00299226/step Wall: 5379.49, 0.00299226/step, 2.65862 hours remaining, 208.964844 MB of memory in use. ENERGY: 1801400 754.7711 2064.2711 1965.0586 120.6776 -206668.2895 18003.7205 0.0000 0.0000 34385.5045 -149374.2860 300.2972 -183759.7906 -149271.8045 299.6277 84.5364 116.2045 556376.9884 -2.4012 -2.6748 PRESSURE: 1801600 -364.47 29.603 58.8845 29.6033 -89.5903 3.27929 58.8849 3.27749 -41.9389 GPRESSURE: 1801600 -275.571 -0.0285392 51.7449 -2.13005 -105.392 -64.8948 129.365 81.2708 -22.8585 PRESSAVG: 1801600 -15.3913 -9.10523 -37.5234 -9.10534 51.8269 -4.78841 -37.5233 -4.78846 25.5048 GPRESSAVG: 1801600 -15.3313 -8.07302 -36.82 -11.1322 52.2637 -3.69072 -36.2225 -8.83424 25.0249 TIMING: 1801600 CPU: 5380.1, 0.00305703/step Wall: 5380.1, 0.00305703/step, 2.716 hours remaining, 209.089844 MB of memory in use. ENERGY: 1801600 752.5658 2041.0205 1938.7284 118.6920 -205948.0690 17570.4527 0.0000 0.0000 34168.7870 -149357.8226 298.4045 -183526.6096 -149256.8011 300.0678 -165.3332 -134.6070 557191.9142 20.6468 20.6524 PRESSURE: 1801800 -139.298 52.875 -68.585 52.8735 -84.6198 97.0663 -68.5853 97.066 -226.959 GPRESSURE: 1801800 -157.207 155.266 -90.833 47.6699 -21.4399 88.0965 -69.4578 136.167 -184.676 PRESSAVG: 1801800 19.4664 -5.34853 -1.30841 -5.3486 -33.8965 7.73716 -1.30838 7.73706 1.34855 GPRESSAVG: 1801800 18.731 -7.30819 -0.240469 -4.85161 -32.9311 7.25583 -4.58039 10.3067 1.24478 TIMING: 1801800 CPU: 5380.71, 0.00304477/step Wall: 5380.71, 0.00304477/step, 2.70494 hours remaining, 209.089844 MB of memory in use. ENERGY: 1801800 756.7971 2081.1151 1913.4184 114.8866 -206393.4807 17822.9174 0.0000 0.0000 34177.1221 -149527.2241 298.4773 -183704.3462 -149429.9117 298.9956 -150.2923 -121.1076 558812.0442 -4.3605 -4.3184 PRESSURE: 1802000 -97.7794 100.674 48.777 100.673 59.0902 -132.975 48.7772 -132.976 116.833 GPRESSURE: 1802000 -59.4852 124.844 100.548 76.7761 63.405 -132.015 48.9339 -126.794 151.4 PRESSAVG: 1802000 41.6446 35.2231 -50.6823 35.2231 -21.1232 -18.7429 -50.6823 -18.743 -21.8857 GPRESSAVG: 1802000 42.0434 39.5171 -52.6924 34.556 -21.195 -18.6757 -46.8852 -18.1027 -22.3153 TIMING: 1802000 CPU: 5381.31, 0.00300602/step Wall: 5381.31, 0.00300602/step, 2.67035 hours remaining, 209.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1802000 761.2840 2050.7663 1941.1729 117.7762 -206589.2423 18068.6950 0.0000 0.0000 34055.1936 -149594.3544 297.4125 -183649.5479 -149487.7893 298.3002 26.0479 51.7734 556974.7298 -0.4548 -0.4889 PRESSURE: 1802200 61.2055 121.105 62.5469 121.104 22.2152 137.619 62.5471 137.62 224.124 GPRESSURE: 1802200 81.2122 48.5588 2.59045 220.077 60.6314 198.498 87.9842 8.27402 260.611 PRESSAVG: 1802200 -30.3304 59.4913 19.0559 59.4914 -58.5456 -47.5989 19.0559 -47.599 48.4299 GPRESSAVG: 1802200 -31.6461 57.1513 19.3608 60.0165 -58.2233 -48.3486 16.5832 -49.2562 49.9901 TIMING: 1802200 CPU: 5381.91, 0.00300573/step Wall: 5381.91, 0.00300573/step, 2.66993 hours remaining, 209.089844 MB of memory in use. ENERGY: 1802200 715.2553 2090.4101 1923.7473 112.9841 -206668.9914 17905.3539 0.0000 0.0000 34385.1437 -149536.0969 300.2940 -183921.2406 -149443.3774 297.8805 102.5149 134.1517 556256.1186 -13.4820 -13.2931 PRESSURE: 1802400 -34.8459 -57.5311 -145.671 -57.5326 215.186 -70.5853 -145.671 -70.5856 -79.6965 GPRESSURE: 1802400 4.69954 -10.4954 -47.1053 -10.3059 229.903 -11.4647 -139.073 -115.6 -37.0496 PRESSAVG: 1802400 -46.6623 67.7781 -60.392 67.7782 31.4971 35.377 -60.3919 35.3769 68.4242 GPRESSAVG: 1802400 -45.1083 67.2842 -60.429 67.9667 30.7975 33.7276 -58.2728 37.4026 67.4268 TIMING: 1802400 CPU: 5382.52, 0.00304667/step Wall: 5382.52, 0.00304667/step, 2.70612 hours remaining, 209.089844 MB of memory in use. ENERGY: 1802400 732.0361 2052.1744 1943.6486 109.3286 -206572.5480 17967.8637 0.0000 0.0000 34178.2137 -149589.2827 298.4868 -183767.4965 -149489.2084 298.6225 33.5478 65.8509 556133.6301 17.7530 17.7053 PRESSURE: 1802600 -114.493 156.336 83.502 156.336 255.007 76.0388 83.5017 76.0374 13.8451 GPRESSURE: 1802600 -41.2051 188.976 49.2776 152.362 245.067 35.7566 123.974 98.9254 33.7623 PRESSAVG: 1802600 -35.6093 -16.8829 -56.1194 -16.8829 -48.6862 3.70323 -56.1194 3.70316 15.6608 GPRESSAVG: 1802600 -35.8347 -15.1881 -57.6526 -16.3457 -48.5964 5.25362 -56.3029 1.20425 15.2022 TIMING: 1802600 CPU: 5383.12, 0.00299187/step Wall: 5383.12, 0.00299187/step, 2.65728 hours remaining, 209.089844 MB of memory in use. ENERGY: 1802600 776.4629 2091.3581 1947.7993 109.0693 -206520.5390 17996.9397 0.0000 0.0000 34129.2180 -149469.6917 298.0589 -183598.9097 -149367.5536 298.4795 51.4528 79.2080 555775.2255 -22.8782 -23.0763 PRESSURE: 1802800 -53.2621 61.3245 93.7517 61.3231 -84.8862 10.9046 93.7511 10.9029 -227.002 GPRESSURE: 1802800 -5.83891 47.2083 100.752 49.3218 -35.1237 54.9943 120.256 -30.6931 -236.889 PRESSAVG: 1802800 31.3331 -27.532 -0.135159 -27.532 4.96053 -14.2708 -0.135125 -14.2709 -64.4274 GPRESSAVG: 1802800 30.6628 -27.8232 2.35031 -28.1756 5.19256 -16.9775 -1.67137 -12.4336 -63.4127 TIMING: 1802800 CPU: 5383.72, 0.00301487/step Wall: 5383.72, 0.00301487/step, 2.67754 hours remaining, 209.089844 MB of memory in use. ENERGY: 1802800 779.8252 2101.0976 1952.7360 104.9049 -206508.8942 17820.0882 0.0000 0.0000 34062.0717 -149688.1706 297.4725 -183750.2423 -149593.2463 298.3264 -121.7169 -92.6173 559087.3209 -9.3779 -9.1858 PRESSURE: 1803000 -113.101 -20.5116 79.7488 -20.511 122.996 33.6047 79.7494 33.6062 129.984 GPRESSURE: 1803000 -46.5231 -35.3681 125.149 -24.8238 199.995 -48.2329 59.2861 -18.3245 82.4644 PRESSAVG: 1803000 -12.594 -12.7388 -3.96824 -12.7388 15.106 37.6399 -3.96826 37.6401 26.1909 GPRESSAVG: 1803000 -12.023 -14.8258 -2.9447 -12.5792 15.608 39.0774 -4.43308 35.9808 25.2063 TIMING: 1803000 CPU: 5384.32, 0.003005/step Wall: 5384.32, 0.003005/step, 2.6686 hours remaining, 209.089844 MB of memory in use. ENERGY: 1803000 739.2152 2048.8850 1943.6275 123.1752 -206433.4567 17928.8783 0.0000 0.0000 34134.8582 -149514.8172 298.1082 -183649.6754 -149421.5616 298.1462 46.6264 78.6454 556775.9652 9.5677 9.5971 PRESSURE: 1803200 -30.3363 69.5647 15.5311 69.5649 -117.645 69.4499 15.5311 69.4497 -407.068 GPRESSURE: 1803200 -33.3477 40.9711 13.1422 94.5915 -90.4281 97.0364 -28.0314 38.4572 -342.611 PRESSAVG: 1803200 1.17021 54.5929 -65.5256 54.5929 23.1336 -1.35008 -65.5256 -1.35002 6.17286 GPRESSAVG: 1803200 2.0187 55.853 -67.69 54.1302 21.1023 -2.4391 -65.1585 -1.32366 7.48523 TIMING: 1803200 CPU: 5384.92, 0.00298097/step Wall: 5384.92, 0.00298097/step, 2.6471 hours remaining, 209.089844 MB of memory in use. ENERGY: 1803200 758.4875 2060.8686 1935.5376 115.9918 -205968.4229 17527.9385 0.0000 0.0000 34319.5308 -149250.0681 299.7210 -183569.5989 -149154.2232 299.2913 -185.0164 -155.4624 558403.6550 10.1589 10.2021 PRESSURE: 1803400 60.7081 -111.925 -12.9648 -111.923 147.375 -110.037 -12.9645 -110.038 -97.7278 GPRESSURE: 1803400 93.6515 -141.203 -83.628 -41.1772 170.212 -21.3805 64.9756 -65.6152 -54.2355 PRESSAVG: 1803400 -5.50951 -71.0416 -32.9507 -71.0417 -35.4635 -16.9693 -32.9508 -16.9692 40.2037 GPRESSAVG: 1803400 -5.74783 -72.5309 -32.7054 -69.3577 -34.1672 -14.9676 -32.1586 -16.5824 39.9413 TIMING: 1803400 CPU: 5385.51, 0.00297681/step Wall: 5385.51, 0.00297681/step, 2.64325 hours remaining, 209.089844 MB of memory in use. ENERGY: 1803400 742.6390 2069.3898 1931.4376 107.4129 -206658.1730 18079.2957 0.0000 0.0000 34197.5276 -149530.4705 298.6555 -183727.9981 -149438.2403 298.3510 36.7851 69.8760 557706.6367 -0.2564 0.0088 PRESSURE: 1803600 -1.81948 -6.25649 73.3877 -6.25739 -180.702 -122.494 73.3873 -122.496 305.827 GPRESSURE: 1803600 14.587 -41.2878 -2.62479 31.0719 -100.001 -166.809 111.648 -155.768 309.465 PRESSAVG: 1803600 7.22335 -47.1358 -54.3098 -47.1357 -10.5488 4.2439 -54.3097 4.24382 -9.19196 GPRESSAVG: 1803600 6.64267 -47.6027 -54.8327 -47.8083 -10.6832 2.45708 -54.8803 4.86915 -7.75734 TIMING: 1803600 CPU: 5386.11, 0.00297998/step Wall: 5386.11, 0.00297998/step, 2.64589 hours remaining, 209.089844 MB of memory in use. ENERGY: 1803600 729.7130 2074.9766 1942.8428 105.7090 -206478.6878 17991.8816 0.0000 0.0000 34219.8848 -149413.6801 298.8508 -183633.5649 -149320.8653 298.5710 41.1019 74.6837 558826.3901 -4.1725 -3.9326 PRESSURE: 1803800 295.869 120.277 -128.684 120.277 -199.326 63.6946 -128.684 63.6953 87.9142 GPRESSURE: 1803800 280.475 188.953 -70.0493 57.3541 -136.572 65.6287 -134.326 110.322 148.772 PRESSAVG: 1803800 -28.8496 30.4081 -11.67 30.408 1.25148 3.64455 -11.6701 3.6446 23.2621 GPRESSAVG: 1803800 -28.6909 33.6587 -10.339 27.4024 1.54434 5.42027 -12.1327 3.81355 22.9016 TIMING: 1803800 CPU: 5386.7, 0.00297731/step Wall: 5386.7, 0.00297731/step, 2.64336 hours remaining, 209.089844 MB of memory in use. ENERGY: 1803800 739.2890 2109.5458 1917.4924 100.7269 -206328.1604 17964.5609 0.0000 0.0000 34277.2057 -149219.3397 299.3514 -183496.5454 -149119.3959 299.4144 61.4859 97.5583 557983.5155 -1.4453 -1.4150 PRESSURE: 1804000 -369.585 -71.6675 255.81 -71.6668 -3.49366 157.998 255.81 158 203.898 GPRESSURE: 1804000 -264.897 -11.7891 178.838 -68.543 18.5179 180.229 238.046 202.886 187.109 PRESSAVG: 1804000 30.3562 -22.8718 12.5669 -22.8718 30.5852 48.3213 12.567 48.3213 -23.3142 GPRESSAVG: 1804000 30.2468 -25.3215 11.7557 -22.3908 30.1767 48.3057 12.6792 47.6316 -22.5422 TIMING: 1804000 CPU: 5387.3, 0.00297526/step Wall: 5387.3, 0.00297525/step, 2.64137 hours remaining, 209.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1804000 737.5778 2045.6805 1938.6519 112.2628 -206317.4112 17737.8786 0.0000 0.0000 34269.4852 -149475.8743 299.2839 -183745.3595 -149378.3830 299.3941 -56.3934 -19.7569 556181.0619 12.5424 12.6271 PRESSURE: 1804200 113.18 17.2387 -5.91982 17.2399 -15.4192 -51.5804 -5.91912 -51.5809 159.865 GPRESSURE: 1804200 157.971 15.1862 -38.4908 -75.7651 26.6951 -52.4956 19.2726 46.8893 169.508 PRESSAVG: 1804200 -9.17262 38.4388 -1.87105 38.4389 15.3294 17.2943 -1.87099 17.2941 10.8575 GPRESSAVG: 1804200 -9.02436 39.0492 -1.57132 40.704 16.1217 16.2018 -1.6549 17.6318 9.94951 TIMING: 1804200 CPU: 5387.9, 0.00298167/step Wall: 5387.9, 0.00298167/step, 2.64689 hours remaining, 209.089844 MB of memory in use. ENERGY: 1804200 718.8366 2087.6622 1947.2017 115.3411 -206920.9169 18156.8316 0.0000 0.0000 34383.7952 -149511.2484 300.2822 -183895.0437 -149416.5303 299.4991 85.8754 118.0579 557182.8037 5.6714 5.6823 LDB: ============= START OF LOAD BALANCING ============== 5391.45 LDB: ============== END OF LOAD BALANCING =============== 5391.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5391.45 LDB: ============= START OF LOAD BALANCING ============== 5391.75 LDB: Largest compute 4773 load 0.029098 is 24.6% of average load 0.118179 LDB: Average compute 0.001741 is 1.5% of average load 0.118179 LDB: TIME 5391.75 LOAD: AVG 0.118179 MAX 0.210722 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.133 MB LDB: TIME 5391.75 LOAD: AVG 0.118179 MAX 0.210722 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.133 MB LDB: TIME 5391.75 LOAD: AVG 0.118179 MAX 0.210722 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.133 MB LDB: ============== END OF LOAD BALANCING =============== 5391.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5391.76 PRESSURE: 1804400 -457.992 138.668 -25.0542 138.667 -96.8566 -16.8748 -25.0554 -16.8764 -172.894 GPRESSURE: 1804400 -403.259 81.8451 -39.898 122.617 -83.1343 -81.7803 -26.279 -128.062 -138.145 PRESSAVG: 1804400 43.457 87.1662 17.4636 87.1663 -20.7479 3.54794 17.4637 3.54799 -39.2155 GPRESSAVG: 1804400 44.5546 86.7316 17.0609 86.3653 -22.338 4.85741 19.0174 4.13676 -38.9374 TIMING: 1804400 CPU: 5388.51, 0.00305016/step Wall: 5388.51, 0.00305016/step, 2.70752 hours remaining, 206.132812 MB of memory in use. ENERGY: 1804400 776.1298 2047.2186 1942.8210 120.7786 -206180.3482 17502.2103 0.0000 0.0000 34031.6454 -149759.5444 297.2068 -183791.1898 -149658.9581 297.4765 -242.5809 -208.1793 557374.1778 -5.5021 -5.5736 PRESSURE: 1804600 -79.7191 -81.3111 -1.14355 -81.3113 -181.247 -56.2921 -1.14388 -56.2918 -145.699 GPRESSURE: 1804600 -13.6192 -99.6724 13.297 -36.8949 -186.003 -66.6996 -28.3128 -97.4591 -107.838 PRESSAVG: 1804600 -17.6996 28.3822 33.4644 28.3823 -48.3243 -44.086 33.4644 -44.0861 81.8364 GPRESSAVG: 1804600 -18.1542 28.7454 33.2574 29.352 -46.6968 -43.3742 34.2143 -45.3949 80.7751 TIMING: 1804600 CPU: 5389.1, 0.00296992/step Wall: 5389.1, 0.00296992/step, 2.63614 hours remaining, 206.132812 MB of memory in use. ENERGY: 1804600 712.5292 2139.2654 1891.9465 112.1015 -206464.5496 17661.7341 0.0000 0.0000 33969.2503 -149977.7225 296.6619 -183946.9728 -149889.3333 297.1406 -135.5551 -102.4869 556780.1229 5.2708 5.3080 PRESSURE: 1804800 -210.921 18.0826 31.8596 18.0831 -93.7288 -12.9234 31.8603 -12.9231 213.129 GPRESSURE: 1804800 -177.121 53.4848 -87.6859 -81.6714 -87.0815 -143.335 117.953 97.8023 261.268 PRESSAVG: 1804800 -69.5879 -33.6069 10.3752 -33.6067 82.7073 -70.2036 10.3752 -70.2037 70.0952 GPRESSAVG: 1804800 -71.0432 -32.4448 12.6498 -34.0066 83.1853 -73.5567 8.4597 -69.7078 70.7985 TIMING: 1804800 CPU: 5389.7, 0.00298169/step Wall: 5389.7, 0.00298169/step, 2.64641 hours remaining, 206.132812 MB of memory in use. ENERGY: 1804800 731.5855 2064.7787 1934.9382 106.2745 -206744.9556 17867.4899 0.0000 0.0000 34167.6094 -149872.2793 298.3942 -184039.8887 -149773.3501 297.3824 -30.5067 -0.9783 558205.4793 27.7382 27.6469 PRESSURE: 1805000 -187.974 265.915 -114.507 265.915 -150.351 -6.15316 -114.507 -6.15376 -82.2622 GPRESSURE: 1805000 -144.876 264.802 -65.5134 232.81 -117.432 -48.5062 -63.691 72.2782 -53.3384 PRESSAVG: 1805000 -5.05104 36.1954 0.62636 36.1954 55.4016 -11.795 0.626276 -11.7949 -16.1904 GPRESSAVG: 1805000 -4.15273 33.7889 -0.507694 36.2061 53.9906 -10.2405 0.552125 -10.9736 -15.7102 TIMING: 1805000 CPU: 5390.3, 0.00299645/step Wall: 5390.3, 0.00299645/step, 2.65935 hours remaining, 206.132812 MB of memory in use. ENERGY: 1805000 768.6180 2057.1191 1937.0308 114.3553 -206577.2773 17890.2699 0.0000 0.0000 33991.0642 -149818.8200 296.8524 -183809.8842 -149720.4862 297.5782 -140.1959 -105.2157 558808.2318 11.3867 11.3759 PRESSURE: 1805200 61.2213 -38.3263 -154.984 -38.3265 166.981 -3.41856 -154.984 -3.41801 -198.999 GPRESSURE: 1805200 106.9 -1.47441 -185.915 -109.419 196.223 -38.4224 -141.133 -59.8244 -174.721 PRESSAVG: 1805200 -0.494509 -10.7413 6.36308 -10.7413 -18.5572 -34.8936 6.36309 -34.8937 27.9139 GPRESSAVG: 1805200 -0.720265 -9.95884 2.74483 -10.2796 -18.6489 -37.5554 6.97905 -35.2346 28.4445 TIMING: 1805200 CPU: 5390.89, 0.00298562/step Wall: 5390.89, 0.00298562/step, 2.64957 hours remaining, 206.132812 MB of memory in use. ENERGY: 1805200 722.9597 2085.6529 1940.4511 115.2708 -206611.6039 17850.4977 0.0000 0.0000 34249.1659 -149647.6058 299.1065 -183896.7717 -149550.2094 297.3133 9.7346 42.8008 556778.1063 2.9541 3.0251 PRESSURE: 1805400 -82.5106 22.321 38.2694 22.3214 -108.329 -81.9928 38.2692 -81.9914 59.185 GPRESSURE: 1805400 -85.7447 -52.1526 14.2565 106.836 -64.6278 -1.07606 36.2226 -69.2013 109.108 PRESSAVG: 1805400 -3.3892 47.4152 34.7406 47.4152 -10.2648 -28.9906 34.7406 -28.9906 5.50539 GPRESSAVG: 1805400 -3.06103 47.7902 37.9024 48.4814 -9.01133 -24.5697 34.9246 -29.3994 3.25689 TIMING: 1805400 CPU: 5391.49, 0.00298235/step Wall: 5391.49, 0.00298235/step, 2.6465 hours remaining, 206.132812 MB of memory in use. ENERGY: 1805400 728.7246 2086.9753 1908.6784 107.1845 -206435.1991 17827.4804 0.0000 0.0000 34163.5864 -149612.5694 298.3591 -183776.1558 -149516.3258 298.2948 -43.8848 -13.7547 558630.3164 -2.7162 -2.9385 PRESSURE: 1805600 -62.7424 26.785 -82.8241 26.7836 -119.256 -244.294 -82.8243 -244.296 53.974 GPRESSURE: 1805600 11.8297 23.8705 -37.3171 -46.6344 -108.604 -315.296 -123.228 -120.671 71.1841 PRESSAVG: 1805600 -7.76693 50.9234 -66.6492 50.9234 -52.6018 -4.53963 -66.6493 -4.53958 67.5182 GPRESSAVG: 1805600 -8.13993 52.5235 -67.6353 48.6985 -53.9987 -7.64443 -65.718 -2.36835 68.7484 TIMING: 1805600 CPU: 5392.09, 0.00299199/step Wall: 5392.09, 0.00299199/step, 2.65489 hours remaining, 206.132812 MB of memory in use. ENERGY: 1805600 734.4896 2067.6650 1915.2856 119.4440 -206569.8348 17899.6471 0.0000 0.0000 34226.6547 -149606.6487 298.9099 -183833.3034 -149504.1189 297.9656 -42.6747 -8.5302 556962.6009 2.3832 2.2032 PRESSURE: 1805800 -120.767 133.179 -82.3227 133.181 -344.729 82.4217 -82.3229 82.4213 -312.93 GPRESSURE: 1805800 -103.605 196.185 -129.754 152.553 -301.586 48.0015 -12.6573 -32.7371 -262.255 PRESSAVG: 1805800 60.5536 21.0413 0.213584 21.0413 -52.4848 -55.5693 0.213566 -55.5693 -40.7757 GPRESSAVG: 1805800 61.0207 19.027 1.4125 22.2649 -52.0507 -54.922 -1.65587 -58.1411 -41.025 TIMING: 1805800 CPU: 5392.69, 0.00299219/step Wall: 5392.69, 0.00299219/step, 2.6549 hours remaining, 206.132812 MB of memory in use. ENERGY: 1805800 770.0047 2140.6772 1935.1400 105.2052 -206081.4461 17603.0644 0.0000 0.0000 33997.4213 -149529.9332 296.9079 -183527.3545 -149435.0194 298.2469 -259.4750 -222.4820 558876.8275 -10.9023 -10.6850 PRESSURE: 1806000 216.16 35.4142 3.11273 35.4126 69.4474 33.6615 3.11249 33.6636 -159.109 GPRESSURE: 1806000 238.493 3.8577 65.375 43.3228 104.095 46.3836 -33.9335 62.2732 -105.975 PRESSAVG: 1806000 108.374 78.8783 -0.392934 78.8783 5.20416 -22.0354 -0.392921 -22.0352 -29.7058 GPRESSAVG: 1806000 106.836 78.7283 -1.52822 79.5538 5.15348 -20.5039 -0.221168 -21.414 -28.0809 TIMING: 1806000 CPU: 5393.29, 0.00301262/step Wall: 5393.29, 0.00301262/step, 2.67286 hours remaining, 206.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1806000 749.1195 2127.4494 1933.1995 101.0986 -206435.5531 17911.3819 0.0000 0.0000 34256.4717 -149356.8326 299.1703 -183613.3043 -149261.3315 298.6166 42.1663 78.8709 556669.2319 27.9573 27.9697 PRESSURE: 1806200 -113.642 -35.8856 67.006 -35.8852 -46.823 -57.9037 67.0072 -57.9029 -86.073 GPRESSURE: 1806200 -134.702 -27.3543 63.7041 -52.9034 -58.2922 1.4855 38.4462 -136.672 35.6864 PRESSAVG: 1806200 22.3579 67.8954 -22.3481 67.8953 2.458 -38.3573 -22.3481 -38.3571 -31.37 GPRESSAVG: 1806200 22.4178 69.9696 -22.6033 67.5368 3.58623 -38.4481 -21.8494 -39.7018 -32.2202 TIMING: 1806200 CPU: 5393.88, 0.0029759/step Wall: 5393.88, 0.0029759/step, 2.64012 hours remaining, 206.132812 MB of memory in use. ENERGY: 1806200 767.5939 2093.6971 1942.4563 113.3246 -206283.5564 17902.9270 0.0000 0.0000 34094.1970 -149369.3605 297.7531 -183463.5574 -149270.7504 298.9081 -82.1794 -52.4358 557621.3323 -2.1847 -2.0721 PRESSURE: 1806400 294.018 66.4824 154.838 66.4817 -183.952 30.9514 154.838 30.9514 -27.0333 GPRESSURE: 1806400 258.898 49.4729 145.571 81.9762 -133.222 13.4578 175.901 10.5525 46.6529 PRESSAVG: 1806400 -3.66538 27.6799 30.0358 27.6799 -43.8081 -3.8419 30.0359 -3.84181 53.8571 GPRESSAVG: 1806400 -2.64445 25.3516 31.5545 28.3563 -43.5796 -4.79679 28.9479 -2.3615 53.1488 TIMING: 1806400 CPU: 5394.48, 0.0029943/step Wall: 5394.48, 0.0029943/step, 2.65628 hours remaining, 206.132812 MB of memory in use. ENERGY: 1806400 784.7057 2107.3762 1947.6421 108.7555 -206527.3067 18009.9070 0.0000 0.0000 34181.1831 -149387.7369 298.5128 -183568.9200 -149285.9265 298.6820 27.6775 57.4428 556957.6541 2.1279 2.3083 PRESSURE: 1806600 -79.9258 37.5766 20.2185 37.5767 -176.681 150.623 20.2198 150.622 4.25805 GPRESSURE: 1806600 -76.9086 57.8367 109.605 85.6875 -96.006 186.194 -54.2345 119.125 23.6313 PRESSAVG: 1806600 -1.71119 39.3462 -4.07367 39.3462 -41.7887 -12.2558 -4.07371 -12.2558 9.88595 GPRESSAVG: 1806600 -2.60138 41.1543 -3.52789 39.1086 -41.9966 -13.2906 -3.61224 -13.0452 11.3685 TIMING: 1806600 CPU: 5395.08, 0.00299926/step Wall: 5395.08, 0.00299926/step, 2.66051 hours remaining, 206.132812 MB of memory in use. ENERGY: 1806600 771.8402 2123.7273 1928.6642 103.4048 -206354.0990 17803.6007 0.0000 0.0000 34215.9699 -149406.8919 298.8166 -183622.8618 -149312.8128 299.3094 -84.1162 -49.7611 558816.9011 -11.2046 -11.0765 PRESSURE: 1806800 -108.037 -0.243939 65.8215 -0.244043 24.8949 -100.121 65.8221 -100.121 -112.925 GPRESSURE: 1806800 -78.5198 -1.87844 33.6553 5.28167 36.62 -88.324 74.5558 -95.0718 -49.6078 PRESSAVG: 1806800 64.3813 8.80006 8.48317 8.80005 -38.7431 31.3144 8.48312 31.3144 -6.22238 GPRESSAVG: 1806800 64.9557 9.47006 7.59289 8.7337 -39.5705 33.0976 6.98213 32.8607 -6.26815 TIMING: 1806800 CPU: 5395.68, 0.00297503/step Wall: 5395.68, 0.00297503/step, 2.63885 hours remaining, 206.132812 MB of memory in use. ENERGY: 1806800 763.9045 2090.7166 1944.6995 97.4602 -206586.6363 17904.7406 0.0000 0.0000 34320.2597 -149464.8552 299.7274 -183785.1149 -149363.2928 298.5820 -65.3557 -30.5025 557958.3862 6.4719 6.3724 PRESSURE: 1807000 -20.2647 -82.2801 -24.799 -82.2814 241.738 -133.538 -24.8 -133.538 157.327 GPRESSURE: 1807000 93.8493 -105.856 -114.517 -127.825 179.183 -87.0498 61.622 -140.533 203.074 PRESSAVG: 1807000 -3.38013 1.60989 -8.81926 1.60996 11.9654 38.8089 -8.81925 38.8089 22.855 GPRESSAVG: 1807000 -3.62829 -0.0282377 -8.88303 1.55681 13.4689 40.0534 -7.22875 36.9054 22.0525 TIMING: 1807000 CPU: 5396.27, 0.0029604/step Wall: 5396.27, 0.0029604/step, 2.62571 hours remaining, 206.132812 MB of memory in use. ENERGY: 1807000 714.1575 2067.2292 1949.1733 101.8515 -206673.7251 18131.9865 0.0000 0.0000 34206.4519 -149502.8751 298.7335 -183709.3270 -149405.6101 299.1918 126.2665 158.7020 557202.6846 10.4801 10.6311 PRESSURE: 1807200 23.7369 -98.6274 40.1744 -98.626 167.605 -11.6511 40.1739 -11.6529 -207.536 GPRESSURE: 1807200 41.4505 -95.6025 7.76475 -181.481 149.838 58.8662 122.612 -104.651 -111.632 PRESSAVG: 1807200 -7.38912 -75.3174 12.7353 -75.3173 40.4267 31.2836 12.7354 31.2836 26.718 GPRESSAVG: 1807200 -7.11625 -73.7009 12.3006 -76.8946 39.5474 30.4811 13.5749 33.038 27.1377 TIMING: 1807200 CPU: 5396.87, 0.00297964/step Wall: 5396.87, 0.00297964/step, 2.64261 hours remaining, 206.132812 MB of memory in use. ENERGY: 1807200 783.6525 2097.9499 1952.4102 109.0637 -206731.9710 18018.3481 0.0000 0.0000 34240.5504 -149529.9961 299.0312 -183770.5466 -149435.5228 299.2889 -5.3983 26.5520 557432.0269 19.9185 19.8563 PRESSURE: 1807400 98.6172 -145.186 25.9513 -145.186 177.602 -25.8773 25.9515 -25.8776 -192.131 GPRESSURE: 1807400 108.585 -143.768 34.9144 -3.16158 228.826 -92.5428 65.299 -27.7704 -142.694 PRESSAVG: 1807400 10.9527 37.6229 22.9638 37.6227 2.34266 21.0166 22.9638 21.0166 10.9266 GPRESSAVG: 1807400 11.447 35.5396 24.2763 40.7864 1.33709 18.9012 22.0333 18.5663 11.2279 TIMING: 1807400 CPU: 5397.47, 0.00300856/step Wall: 5397.47, 0.00300856/step, 2.66809 hours remaining, 206.132812 MB of memory in use. ENERGY: 1807400 726.9841 2032.6246 1959.1942 111.7339 -206249.6026 17955.0947 0.0000 0.0000 34041.4871 -149422.4839 297.2928 -183463.9710 -149325.7651 298.9727 28.0293 64.9055 558133.9083 8.0740 8.0040 PRESSURE: 1807600 38.5058 -169.611 101.897 -169.611 41.6588 -130.597 101.898 -130.597 81.1842 GPRESSURE: 1807600 105.759 -232.448 228.994 -128.931 56.1149 -127.844 13.6043 -23.0507 97.2234 PRESSAVG: 1807600 96.243 25.8042 -6.86095 25.8042 -31.3532 8.23576 -6.86088 8.23583 -62.2704 GPRESSAVG: 1807600 95.386 26.7029 -8.74788 26.0917 -29.8089 8.28821 -6.21261 10.5629 -62.9464 TIMING: 1807600 CPU: 5398.06, 0.00298726/step Wall: 5398.06, 0.00298726/step, 2.64903 hours remaining, 206.132812 MB of memory in use. ENERGY: 1807600 737.3742 2113.4758 1949.4905 117.9550 -206381.5657 17882.8167 0.0000 0.0000 34316.9541 -149263.4992 299.6985 -183580.4533 -149169.8307 299.1639 53.7829 86.3658 557351.4905 0.8731 0.8769 PRESSURE: 1807800 23.9057 -34.964 -54.4233 -34.9649 -38.7528 181.927 -54.4239 181.927 -270.641 GPRESSURE: 1807800 20.3044 -82.5084 -42.3862 59.7966 -36.838 304.994 -110.881 110.592 -158.246 PRESSAVG: 1807800 29.1545 -24.2015 52.4314 -24.2014 -38.3998 52.6038 52.4313 52.6037 3.30987 GPRESSAVG: 1807800 29.3975 -23.1446 55.9468 -25.2651 -38.9785 53.3586 51.8479 51.257 3.09577 TIMING: 1807800 CPU: 5398.66, 0.00296252/step Wall: 5398.66, 0.00296252/step, 2.62694 hours remaining, 206.132812 MB of memory in use. ENERGY: 1807800 749.4373 2127.6683 1962.9334 116.1497 -205921.4155 17553.9600 0.0000 0.0000 34194.5741 -149216.6928 298.6297 -183411.2669 -149116.1437 299.4315 -95.1626 -58.2600 557713.4719 -1.9785 -2.1617 PRESSURE: 1808000 -398.1 -183.32 -78.5082 -183.321 10.5533 163.742 -78.5076 163.742 -178.13 GPRESSURE: 1808000 -304.527 -171.994 -69.7386 -95.4655 -16.6539 106.778 -40.5324 215.524 -159.742 PRESSAVG: 1808000 4.45286 -12.8779 15.0569 -12.878 -20.1565 -3.88924 15.0569 -3.88911 4.3556 GPRESSAVG: 1808000 3.33173 -15.7629 11.5014 -13.4088 -20.5197 -4.44598 16.4498 -3.87781 4.89586 TIMING: 1808000 CPU: 5399.26, 0.00299084/step Wall: 5399.26, 0.00299084/step, 2.65188 hours remaining, 206.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1808000 756.0984 2099.6030 1946.3111 127.7637 -205950.7820 17550.5969 0.0000 0.0000 34266.7124 -149203.6965 299.2597 -183470.4089 -149109.2326 299.2050 -188.5588 -160.3078 558600.5993 -3.7827 -4.0974 PRESSURE: 1808200 -37.6689 -151.048 -129.346 -151.047 -40.2623 -23.9314 -129.346 -23.9323 -24.4767 GPRESSURE: 1808200 5.41347 -109.718 -175.741 -158.852 16.8171 -10.6073 -198.636 -31.0197 -30.0281 PRESSAVG: 1808200 -47.6652 -24.4427 -51.7485 -24.4427 46.786 -22.2208 -51.7484 -22.2209 -31.8361 GPRESSAVG: 1808200 -46.7356 -21.4353 -50.5094 -23.8901 46.7347 -20.0238 -52.8023 -23.3555 -33.4573 TIMING: 1808200 CPU: 5399.85, 0.00298698/step Wall: 5399.85, 0.00298698/step, 2.64829 hours remaining, 206.132812 MB of memory in use. ENERGY: 1808200 742.0729 2148.7053 1927.6080 114.5686 -206218.2514 17719.4799 0.0000 0.0000 34336.5133 -149229.3035 299.8693 -183565.8168 -149138.1289 298.5155 -34.1359 -2.5991 557379.5045 -10.9051 -11.1527 LDB: ============= START OF LOAD BALANCING ============== 5403.4 LDB: ============== END OF LOAD BALANCING =============== 5403.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5403.4 LDB: ============= START OF LOAD BALANCING ============== 5403.7 LDB: Largest compute 4773 load 0.027030 is 22.9% of average load 0.118164 LDB: Average compute 0.001739 is 1.5% of average load 0.118164 LDB: TIME 5403.7 LOAD: AVG 0.118164 MAX 0.206846 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.156 MB LDB: TIME 5403.7 LOAD: AVG 0.118164 MAX 0.206846 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.359 MB LDB: TIME 5403.7 LOAD: AVG 0.118164 MAX 0.206846 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5403.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5403.7 PRESSURE: 1808400 -57.9542 83.6193 9.73063 83.6203 -31.9578 202.731 9.73133 202.732 39.6408 GPRESSURE: 1808400 5.6051 57.5922 35.3084 25.9476 -52.5976 240.504 28.1287 153.836 96.3446 PRESSAVG: 1808400 -4.21151 -20.8917 -34.165 -20.8918 -10.7556 3.95367 -34.1649 3.95368 23.5668 GPRESSAVG: 1808400 -5.05877 -23.4084 -33.2773 -19.3026 -10.4635 1.43542 -34.1412 5.60702 24.4843 TIMING: 1808400 CPU: 5400.45, 0.00301045/step Wall: 5400.45, 0.00301045/step, 2.66893 hours remaining, 206.644531 MB of memory in use. ENERGY: 1808400 748.9351 2060.4507 1951.2794 123.8801 -206165.5625 17672.4748 0.0000 0.0000 34382.8883 -149225.6541 300.2743 -183608.5424 -149124.7588 299.6277 -16.7571 16.4507 557162.1300 2.8666 2.9874 PRESSURE: 1808600 204.364 151.953 -1.42562 151.952 11.1906 13.2198 -1.42513 13.2211 -99.1846 GPRESSURE: 1808600 198.151 199.459 -39.4616 197.137 51.3018 21.0002 -13.5107 44.0086 -44.6065 PRESSAVG: 1808600 -17.2512 -2.66002 10.3679 -2.66002 0.641981 11.5934 10.3678 11.5934 3.73141 GPRESSAVG: 1808600 -17.403 -3.23942 9.37228 -3.0378 0.454322 12.4724 10.7984 10.3394 4.50802 TIMING: 1808600 CPU: 5401.05, 0.00296129/step Wall: 5401.05, 0.00296129/step, 2.62518 hours remaining, 206.644531 MB of memory in use. ENERGY: 1808600 728.6938 2155.8441 1915.4997 108.6073 -206221.8735 17803.8054 0.0000 0.0000 34252.5872 -149256.8359 299.1364 -183509.4232 -149156.2906 298.5288 38.7901 68.2821 555675.5095 -4.2926 -4.1469 PRESSURE: 1808800 -83.4448 -194.236 -10.9283 -194.235 -248.452 169.421 -10.9267 169.421 0.79272 GPRESSURE: 1808800 -40.1478 -184.231 22.4245 -187.76 -177.028 241.505 -1.29517 129.365 -14.0858 PRESSAVG: 1808800 14.7522 -54.0875 30.3343 -54.0874 -35.639 -28.6288 30.3343 -28.6288 18.2539 GPRESSAVG: 1808800 16.1879 -52.6721 30.231 -55.4796 -36.0331 -28.8999 29.5448 -28.8105 16.9397 TIMING: 1808800 CPU: 5401.64, 0.00296279/step Wall: 5401.64, 0.00296279/step, 2.62635 hours remaining, 206.644531 MB of memory in use. ENERGY: 1808800 743.5235 2098.0443 1929.1995 108.2396 -205832.2381 17604.1998 0.0000 0.0000 34250.7268 -149098.3046 299.1201 -183349.0314 -149004.2206 299.0231 -110.3679 -77.0874 557599.1201 -0.8776 -0.9685 PRESSURE: 1809000 128.893 -20.1151 -219.329 -20.1149 213.328 107.733 -219.33 107.734 263.752 GPRESSURE: 1809000 165.065 -43.3697 -188.802 35.6199 244.771 119.722 -189.492 33.2195 293.028 PRESSAVG: 1809000 -56.6212 17.0869 -13.8932 17.0869 24.5418 60.4598 -13.8931 60.4598 42.9489 GPRESSAVG: 1809000 -57.4316 18.4302 -14.9802 15.8881 25.4067 60.949 -14.7069 61.0958 43.1418 TIMING: 1809000 CPU: 5402.24, 0.0030078/step Wall: 5402.24, 0.0030078/step, 2.66608 hours remaining, 206.683594 MB of memory in use. ENERGY: 1809000 752.4499 2046.9360 1921.0266 105.4957 -206191.5489 17885.2470 0.0000 0.0000 34259.2817 -149221.1120 299.1948 -183480.3937 -149128.8836 299.2289 201.9912 234.2881 556351.2208 3.6232 3.7056 PRESSURE: 1809200 32.2759 12.1663 134.124 12.1662 -27.336 24.0921 134.123 24.0925 -116.373 GPRESSURE: 1809200 90.9587 -81.9403 169.33 53.4423 -50.4036 -119.868 121.246 56.1359 -61.5498 PRESSAVG: 1809200 -16.0753 -22.5554 28.6102 -22.5554 27.055 46.1186 28.6103 46.1186 -20.8897 GPRESSAVG: 1809200 -15.7457 -24.8658 30.6745 -21.4821 26.1045 44.4866 29.4774 47.7236 -21.0998 TIMING: 1809200 CPU: 5402.84, 0.00301496/step Wall: 5402.84, 0.00301496/step, 2.67226 hours remaining, 206.683594 MB of memory in use. ENERGY: 1809200 763.4237 2104.9101 1925.8899 113.8332 -206207.5245 17853.2236 0.0000 0.0000 34172.1721 -149274.0719 298.4341 -183446.2441 -149180.2682 298.9376 -37.1442 -6.9982 557270.2840 -3.3033 -3.5803 PRESSURE: 1809400 120.5 92.7934 -90.5968 92.7943 -91.4405 93.715 -90.597 93.714 -183.223 GPRESSURE: 1809400 148.593 172.06 -70.0898 110.863 -103.187 83.795 -91.7242 24.5045 -98.213 PRESSAVG: 1809400 53.306 34.7384 -32.4412 34.7385 -57.7549 1.63459 -32.4412 1.63448 -6.17557 GPRESSAVG: 1809400 52.6354 36.0706 -32.0959 34.0891 -56.6194 0.550959 -31.9131 0.985845 -6.25659 TIMING: 1809400 CPU: 5403.44, 0.00298972/step Wall: 5403.44, 0.00298972/step, 2.64973 hours remaining, 206.683594 MB of memory in use. ENERGY: 1809400 787.4402 2025.7281 1900.1982 115.5327 -205932.4744 17700.4111 0.0000 0.0000 34214.9605 -149188.2036 298.8078 -183403.1641 -149097.9301 298.5730 -51.3876 -17.6023 556981.4912 -3.5415 -3.4135 PRESSURE: 1809600 -66.334 -91.4125 127.2 -91.4137 -156.481 -38.718 127.201 -38.7166 13.8433 GPRESSURE: 1809600 21.245 -80.1679 106.504 -31.3321 -156.025 -30.8125 76.9014 1.5484 24.5139 PRESSAVG: 1809600 17.0002 2.75521 18.4355 2.75515 -14.6567 -27.8 18.4354 -27.7999 36.6556 GPRESSAVG: 1809600 17.6088 0.720268 19.4468 3.54096 -15.7528 -24.9883 17.6225 -29.2191 37.3573 TIMING: 1809600 CPU: 5404.04, 0.00296818/step Wall: 5404.04, 0.00296818/step, 2.63047 hours remaining, 206.683594 MB of memory in use. ENERGY: 1809600 736.6123 2132.0510 1925.5996 116.3443 -206251.8635 17823.3562 0.0000 0.0000 34304.2424 -149213.6577 299.5875 -183517.9001 -149115.0202 299.2837 -69.6572 -36.7553 558277.3810 12.9997 13.0711 PRESSURE: 1809800 -67.6938 -171.904 -117.735 -171.903 -69.4456 102.096 -117.734 102.096 260.574 GPRESSURE: 1809800 -29.0407 -98.785 -165.277 -207.226 -42.6577 76.5295 -39.6475 53.234 290.241 PRESSAVG: 1809800 27.7999 -52.4968 -9.2477 -52.4968 31.7616 31.9193 -9.24765 31.9193 -55.4882 GPRESSAVG: 1809800 27.6044 -51.1585 -11.9554 -53.6914 32.2137 30.6074 -7.87829 31.5794 -56.1437 TIMING: 1809800 CPU: 5404.63, 0.00297586/step Wall: 5404.63, 0.00297586/step, 2.6371 hours remaining, 206.683594 MB of memory in use. ENERGY: 1809800 689.8070 2159.4732 1925.0448 126.9946 -205807.7842 17597.3151 0.0000 0.0000 34157.7674 -149151.3820 298.3083 -183309.1494 -149051.8132 299.8004 41.1449 72.8475 558503.6030 1.3578 1.2248 PRESSURE: 1810000 -238.306 -112.884 -54.5011 -112.885 -256.595 109.924 -54.5018 109.924 -31.8149 GPRESSURE: 1810000 -194.321 -62.8029 -108.471 -55.0378 -178.162 33.5417 6.44393 208.06 -58.3563 PRESSAVG: 1810000 -22.3135 -54.2785 -29.6982 -54.2784 23.4413 -37.3346 -29.6982 -37.3347 1.56504 GPRESSAVG: 1810000 -22.0959 -54.0789 -28.5805 -52.7233 25.0956 -36.8605 -29.4636 -35.6669 0.144417 TIMING: 1810000 CPU: 5405.22, 0.00296338/step Wall: 5405.22, 0.00296338/step, 2.62588 hours remaining, 206.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1810000 733.3085 2178.5403 1923.9636 123.4732 -205931.7818 17528.8636 0.0000 0.0000 34266.4184 -149177.2143 299.2572 -183443.6327 -149075.1530 299.5038 -175.5718 -143.6130 557565.2765 0.8976 1.0480 PRESSURE: 1810200 -212.637 94.7565 -7.07136 94.7567 -213.259 207.843 -7.07096 207.845 -191.772 GPRESSURE: 1810200 -166.621 90.365 83.9263 66.4146 -224.173 108.959 -47.6942 261.968 -133.139 PRESSAVG: 1810200 -67.4138 -13.1566 32.504 -13.1565 27.8626 9.12201 32.5041 9.122 20.0257 GPRESSAVG: 1810200 -68.1303 -14.398 32.3899 -13.4548 27.4945 7.21346 32.7813 9.9834 21.5202 TIMING: 1810200 CPU: 5405.82, 0.00296812/step Wall: 5405.82, 0.00296812/step, 2.62992 hours remaining, 206.683594 MB of memory in use. ENERGY: 1810200 769.2045 2140.0912 1934.5631 109.7707 -205973.0231 17649.3736 0.0000 0.0000 34236.8784 -149133.1415 298.9992 -183370.0199 -149035.3612 299.5293 -205.8896 -174.6442 557716.6307 -6.5085 -6.3719 PRESSURE: 1810400 3.82935 39.1062 -88.1702 39.1045 -183.4 -138.66 -88.1707 -138.66 28.3902 GPRESSURE: 1810400 40.3417 68.0953 -146.046 53.1633 -192.802 -91.4505 -60.0072 -79.0872 99.4113 PRESSAVG: 1810400 52.2055 -1.66421 7.95891 -1.66426 -59.8537 -41.2395 7.95896 -41.2397 -18.0478 GPRESSAVG: 1810400 50.886 -0.61419 8.42337 -2.11996 -59.0629 -39.3328 6.88653 -44.6617 -17.4544 TIMING: 1810400 CPU: 5406.42, 0.00299623/step Wall: 5406.42, 0.00299623/step, 2.65466 hours remaining, 206.683594 MB of memory in use. ENERGY: 1810400 777.3406 2105.7623 1924.3286 118.1027 -206189.2770 17778.5188 0.0000 0.0000 34435.4996 -149049.7244 300.7338 -183485.2240 -148950.7080 300.4265 -50.3934 -17.6830 558366.1101 -8.5653 -8.5438 PRESSURE: 1810600 -179.662 77.9677 1.98716 77.9671 49.558 167.638 1.98638 167.639 39.9494 GPRESSURE: 1810600 -146.839 67.2233 -32.7695 130.578 65.5935 157.238 36.8919 174.172 75.0509 PRESSAVG: 1810600 -23.1306 0.303343 -20.9022 0.30337 5.49944 -5.68901 -20.9023 -5.68909 19.6881 GPRESSAVG: 1810600 -21.6955 1.29475 -21.4583 2.69541 4.58194 -5.60143 -21.2413 -3.98432 19.6719 TIMING: 1810600 CPU: 5407.02, 0.00301997/step Wall: 5407.02, 0.00301997/step, 2.67553 hours remaining, 206.683594 MB of memory in use. ENERGY: 1810600 722.4603 2131.6517 1951.6787 107.3221 -206161.0818 17765.5863 0.0000 0.0000 34411.3958 -149070.9869 300.5233 -183482.3827 -148977.1581 299.7675 -30.0515 -2.0648 557059.6539 0.6856 0.8528 PRESSURE: 1810800 -164.969 24.7212 96.465 24.7216 85.8368 72.3347 96.4651 72.3334 -68.6533 GPRESSURE: 1810800 -155.756 -56.3499 60.0264 90.0618 129.694 53.5486 46.0476 108.683 -28.7276 PRESSAVG: 1810800 -101.699 -17.4821 12.0392 -17.4821 32.838 -43.158 12.0393 -43.158 61.3828 GPRESSAVG: 1810800 -101.639 -19.4657 11.4077 -17.8295 31.8531 -44.0135 12.2506 -42.2914 62.4107 TIMING: 1810800 CPU: 5407.62, 0.00301027/step Wall: 5407.62, 0.00301027/step, 2.66676 hours remaining, 206.683594 MB of memory in use. ENERGY: 1810800 715.2055 2123.4175 1955.0314 99.1089 -205469.9581 17556.5640 0.0000 0.0000 34061.7743 -148958.8565 297.4699 -183020.6308 -148858.5955 299.8053 -49.2618 -18.2631 558476.8371 -2.4928 -2.4583 PRESSURE: 1811000 175.936 -91.1901 -160.175 -91.1895 182.534 -74.2893 -160.174 -74.2895 -43.6819 GPRESSURE: 1811000 193.244 -6.2246 -161.185 -16.6467 152.368 -138.195 -120.116 19.1273 77.535 PRESSAVG: 1811000 -6.22851 -43.4114 -38.325 -43.4114 60.836 2.98814 -38.3249 2.98811 -38.1251 GPRESSAVG: 1811000 -5.99816 -43.9049 -37.833 -44.8368 61.2017 2.20558 -38.7297 4.25419 -38.168 TIMING: 1811000 CPU: 5408.22, 0.0029835/step Wall: 5408.22, 0.0029835/step, 2.64288 hours remaining, 206.683594 MB of memory in use. ENERGY: 1811000 710.0754 2086.4607 1951.6586 114.2882 -205948.2048 17777.4210 0.0000 0.0000 34333.5543 -148974.7466 299.8435 -183308.3008 -148876.8684 299.8121 104.9295 141.0487 556618.1068 5.4941 5.6785 PRESSURE: 1811200 7.26389 -73.1255 -11.79 -73.1257 228.18 45.9858 -11.7901 45.9845 241.687 GPRESSURE: 1811200 55.1319 -40.4235 -67.6553 -17.7508 270.529 88.3258 36.3551 42.7191 254.544 PRESSAVG: 1811200 -30.3878 4.7076 -9.49606 4.70764 65.76 5.48824 -9.49622 5.48812 14.8796 GPRESSAVG: 1811200 -30.9738 5.31625 -9.47973 6.72847 66.6959 7.05062 -9.90474 2.56548 13.9939 TIMING: 1811200 CPU: 5408.82, 0.00299621/step Wall: 5408.82, 0.00299621/step, 2.65397 hours remaining, 206.683594 MB of memory in use. ENERGY: 1811200 761.5511 2055.4897 1943.8055 95.9086 -206005.2987 17996.6779 0.0000 0.0000 34110.5055 -149041.3604 297.8955 -183151.8659 -148942.7617 300.4421 159.0435 193.4017 557348.7456 16.7506 16.5720 PRESSURE: 1811400 -190.028 183.701 -38.1161 183.701 59.5451 -39.11 -38.1162 -39.1088 -56.0449 GPRESSURE: 1811400 -141.195 155.038 39.868 270.078 53.8962 -25.1999 -48.7185 -48.9253 13.9031 PRESSAVG: 1811400 -50.6308 51.184 -25.396 51.1841 -41.0257 -11.6624 -25.396 -11.6624 73.1499 GPRESSAVG: 1811400 -50.9554 52.9474 -26.4849 46.6617 -40.7992 -8.83249 -22.8754 -9.19494 73.4544 TIMING: 1811400 CPU: 5409.42, 0.00299218/step Wall: 5409.42, 0.00299218/step, 2.65024 hours remaining, 206.683594 MB of memory in use. ENERGY: 1811400 740.4268 2109.0132 1927.3951 103.5403 -206180.4535 17758.8917 0.0000 0.0000 34448.6368 -149092.5497 300.8485 -183541.1865 -148996.4525 300.1381 -62.1759 -24.4652 557541.3238 -6.1688 -6.1001 PRESSURE: 1811600 -182.459 230.085 167.361 230.084 -230.847 104.196 167.363 104.196 -22.6739 GPRESSURE: 1811600 -189.679 213.401 110.54 173.341 -142.169 80.9201 101.633 49.8208 -1.84978 PRESSAVG: 1811600 -29.5675 -11.114 65.2354 -11.114 46.5754 25.3419 65.2354 25.3419 28.8529 GPRESSAVG: 1811600 -29.3929 -12.4702 67.0629 -8.0018 46.2049 20.8298 63.4495 24.709 28.9349 TIMING: 1811600 CPU: 5410.02, 0.00300966/step Wall: 5410.02, 0.00300966/step, 2.66555 hours remaining, 206.683594 MB of memory in use. ENERGY: 1811600 742.2391 2025.5471 1928.7175 120.9850 -205978.9067 17737.9327 0.0000 0.0000 34293.9544 -149129.5310 299.4976 -183423.4854 -149031.7126 299.8234 -145.3265 -111.2324 558680.6489 15.2869 15.2490 PRESSURE: 1811800 -241.67 -90.1657 8.18856 -90.1646 -115.757 -11.3085 8.18838 -11.309 -4.74495 GPRESSURE: 1811800 -231.648 -45.1709 -27.8169 -143.298 -56.2262 -86.695 -9.48183 117.851 18.7284 PRESSAVG: 1811800 -27.3394 -51.201 -10.7359 -51.2009 1.89605 3.036 -10.7359 3.036 12.1476 GPRESSAVG: 1811800 -27.3976 -51.2398 -13.3396 -51.8936 2.42015 4.45685 -9.66912 3.00798 11.4731 TIMING: 1811800 CPU: 5410.61, 0.00297264/step Wall: 5410.61, 0.00297264/step, 2.6326 hours remaining, 206.683594 MB of memory in use. ENERGY: 1811800 754.7083 2060.1758 1927.4346 123.0920 -205891.0644 17640.1224 0.0000 0.0000 34323.6431 -149061.8883 299.7569 -183385.5313 -148968.8139 299.3811 -120.7239 -89.7151 559083.8671 -4.4319 -4.5014 PRESSURE: 1812000 118.677 -38.6943 14.3253 -38.6953 -166.09 -79.9589 14.3259 -79.9582 130.029 GPRESSURE: 1812000 126.161 -26.9129 76.8428 -17.0652 -65.1159 -88.697 54.4957 -108.62 120.22 PRESSAVG: 1812000 17.8174 -4.10705 -5.49833 -4.10699 -20.5409 14.9758 -5.49837 14.9757 20.4149 GPRESSAVG: 1812000 17.5346 -4.36173 -5.89818 -3.17497 -20.5424 14.9948 -5.20028 16.2642 20.4735 TIMING: 1812000 CPU: 5411.21, 0.00297502/step Wall: 5411.21, 0.00297502/step, 2.63455 hours remaining, 206.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1812000 724.2063 2061.0693 1939.1587 112.3143 -206035.4281 17771.5343 0.0000 0.0000 34303.1716 -149123.9736 299.5781 -183427.1451 -149039.8890 299.6197 27.5387 60.4215 557225.6775 5.8971 5.8219 PRESSURE: 1812200 63.6487 27.4313 -116.519 27.4308 129.757 -14.5973 -116.518 -14.5983 210.991 GPRESSURE: 1812200 115.979 -43.0007 -90.4514 -52.789 151.29 -31.0611 -75.5486 -33.0887 235.714 PRESSAVG: 1812200 5.9556 -25.0606 1.2757 -25.0605 -8.17294 40.0546 1.27575 40.0545 9.92384 GPRESSAVG: 1812200 6.50122 -24.2309 3.67422 -26.0412 -9.97718 40.0157 -0.301577 39.2028 10.6938 TIMING: 1812200 CPU: 5411.8, 0.0029624/step Wall: 5411.8, 0.0029624/step, 2.62321 hours remaining, 206.683594 MB of memory in use. ENERGY: 1812200 738.8392 2085.1579 1935.4246 117.2448 -206245.9400 18095.3211 0.0000 0.0000 34163.6281 -149110.3243 298.3595 -183273.9524 -149015.7220 299.2906 134.7989 167.6609 558523.2310 2.5688 2.4059 LDB: ============= START OF LOAD BALANCING ============== 5415.35 LDB: ============== END OF LOAD BALANCING =============== 5415.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5415.35 LDB: ============= START OF LOAD BALANCING ============== 5415.65 LDB: Largest compute 4773 load 0.027777 is 23.5% of average load 0.118185 LDB: Average compute 0.001735 is 1.5% of average load 0.118185 LDB: TIME 5415.65 LOAD: AVG 0.118185 MAX 0.212446 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.188 MB LDB: TIME 5415.65 LOAD: AVG 0.118185 MAX 0.212446 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.387 MB LDB: TIME 5415.65 LOAD: AVG 0.118185 MAX 0.212446 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.387 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5415.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5415.66 PRESSURE: 1812400 85.0213 -99.4215 -20.331 -99.421 161.602 106.982 -20.3304 106.982 103.596 GPRESSURE: 1812400 145.858 -83.8841 -76.0477 -85.4957 145.098 91.6989 2.62801 102.676 121.98 PRESSAVG: 1812400 -28.1638 13.8547 13.5812 13.8546 83.643 27.0383 13.5812 27.0383 -47.1597 GPRESSAVG: 1812400 -27.4017 13.2873 12.4674 16.2444 84.1798 27.0451 14.075 26.4254 -48.6183 TIMING: 1812400 CPU: 5412.41, 0.00302258/step Wall: 5412.41, 0.00302258/step, 2.67633 hours remaining, 207.484375 MB of memory in use. ENERGY: 1812400 735.4546 2073.6366 1923.4236 95.9590 -205782.8428 17764.4251 0.0000 0.0000 34257.0846 -148932.8593 299.1756 -183189.9439 -148845.5354 299.8177 116.7398 137.6453 557498.4910 2.7732 2.7199 PRESSURE: 1812600 -30.9544 158.534 -32.0139 158.536 151.216 77.5641 -32.0148 77.5641 57.4118 GPRESSURE: 1812600 8.16197 142.556 -59.6883 192.917 133.741 96.6566 -41.4275 86.3249 132.776 PRESSAVG: 1812600 2.48325 -9.9297 6.33231 -9.92964 -4.42623 33.7182 6.33228 33.7183 43.4051 GPRESSAVG: 1812600 2.00427 -9.35352 7.26947 -11.6407 -4.35757 34.1042 5.97972 33.7775 43.8899 TIMING: 1812600 CPU: 5413, 0.00297638/step Wall: 5413, 0.00297638/step, 2.63525 hours remaining, 207.484375 MB of memory in use. ENERGY: 1812600 717.5045 2080.9123 1940.7347 121.7951 -206260.0388 17915.4939 0.0000 0.0000 34439.0187 -149044.5796 300.7645 -183483.5982 -148944.1227 299.3162 59.2244 91.5594 557276.8436 13.8207 13.8455 PRESSURE: 1812800 147.359 -80.8554 -134.652 -80.8542 -88.2801 -132.614 -134.652 -132.614 29.2265 GPRESSURE: 1812800 203.37 -3.65059 -125.856 -95.2835 -88.6521 -92.7318 -169.524 -134.41 67.2199 PRESSAVG: 1812800 -21.1496 10.7923 11.6897 10.7922 -8.35579 5.42743 11.6896 5.42748 -20.3027 GPRESSAVG: 1812800 -22.3104 9.30759 8.31987 10.7785 -7.99449 7.14172 12.8271 2.87471 -19.4431 TIMING: 1812800 CPU: 5413.65, 0.00325317/step Wall: 5413.65, 0.00325317/step, 2.88014 hours remaining, 207.484375 MB of memory in use. ENERGY: 1812800 732.5550 2087.9934 1949.5245 127.1651 -206047.1508 17779.8962 0.0000 0.0000 34341.5243 -149028.4923 299.9131 -183370.0166 -148933.7557 299.8680 29.4350 60.6459 557858.1286 -16.6027 -16.5827 PRESSURE: 1813000 64.9532 -63.0972 21.7307 -63.0985 286.103 15.1335 21.7308 15.1321 95.5849 GPRESSURE: 1813000 75.8258 -33.9743 14.2949 -41.1703 322.701 -20.0796 18.6677 62.7831 143.808 PRESSAVG: 1813000 33.3793 -35.6714 22.7429 -35.6713 -3.0092 -7.87618 22.7429 -7.87615 -31.9646 GPRESSAVG: 1813000 33.2715 -35.5231 24.9377 -34.6299 -3.40424 -9.95784 21.9503 -4.62504 -32.2357 TIMING: 1813000 CPU: 5414.25, 0.0029738/step Wall: 5414.25, 0.0029738/step, 2.63264 hours remaining, 207.484375 MB of memory in use. ENERGY: 1813000 749.8319 2097.6270 1918.3924 126.4779 -206420.4197 18160.0242 0.0000 0.0000 34195.4882 -149172.5782 298.6377 -183368.0664 -149080.5847 299.8471 148.8802 180.7783 557261.5274 -0.5315 -0.7895 PRESSURE: 1813200 -72.4271 2.02097 60.2293 2.01988 -12.6474 137.918 60.2297 137.915 53.6252 GPRESSURE: 1813200 -47.8386 -87.3378 10.1506 28.562 3.78268 77.9393 49.3093 140.278 105.131 PRESSAVG: 1813200 -27.2739 2.14847 -26.1233 2.14846 -28.4023 9.53691 -26.1234 9.53691 26.4257 GPRESSAVG: 1813200 -27.5458 2.26755 -27.8398 1.40218 -28.569 9.65776 -26.5125 10.0596 26.3565 TIMING: 1813200 CPU: 5414.84, 0.00297299/step Wall: 5414.84, 0.00297299/step, 2.63175 hours remaining, 207.484375 MB of memory in use. ENERGY: 1813200 764.1146 2111.9628 1921.5830 118.1949 -205864.9467 17602.5578 0.0000 0.0000 34255.9662 -149090.5674 299.1659 -183346.5336 -148994.2752 300.2621 -10.4831 20.3584 557758.8742 -9.7502 -9.9194 PRESSURE: 1813400 -69.0599 119.03 -157.124 119.029 -183.75 -29.0257 -157.125 -29.0241 226.453 GPRESSURE: 1813400 -21.6401 158.562 -211.838 153.052 -125.1 -23.1067 -65.3161 -13.8204 223.092 PRESSAVG: 1813400 19.734 -20.7826 36.1011 -20.7826 -26.0777 -28.4199 36.101 -28.4199 -11.6641 GPRESSAVG: 1813400 20.3212 -18.7792 38.1342 -20.4238 -25.5758 -29.1955 37.6238 -29.9377 -12.5801 TIMING: 1813400 CPU: 5415.43, 0.00296657/step Wall: 5415.43, 0.00296657/step, 2.62591 hours remaining, 207.484375 MB of memory in use. ENERGY: 1813400 750.6439 2130.4447 1951.3391 115.5551 -206079.2129 17815.2183 0.0000 0.0000 34327.0761 -148988.9357 299.7869 -183316.0119 -148892.6144 300.2777 -8.7856 25.4507 556428.1449 -6.0026 -5.9449 PRESSURE: 1813600 51.7236 126.171 164.678 126.171 -296.208 -116.498 164.677 -116.498 20.809 GPRESSURE: 1813600 54.075 110.197 147.313 73.8726 -226.847 -89.372 181.949 -93.5475 42.9501 PRESSAVG: 1813600 94.5276 -43.5133 30.4891 -43.5133 -51.7203 3.30222 30.4891 3.30219 -47.7556 GPRESSAVG: 1813600 93.6606 -44.5677 30.791 -46.081 -51.8418 2.31272 29.0899 5.18796 -47.2847 TIMING: 1813600 CPU: 5416.03, 0.00296353/step Wall: 5416.03, 0.00296353/step, 2.62305 hours remaining, 207.484375 MB of memory in use. ENERGY: 1813600 726.5450 2112.3731 1953.5734 114.1127 -205687.1631 17460.3006 0.0000 0.0000 34407.5985 -148912.6598 300.4901 -183320.2583 -148819.1729 300.1815 -74.5584 -43.2738 558275.6689 -1.6495 -1.8220 PRESSURE: 1813800 -141.121 84.9081 32.4358 84.9076 -15.2681 -25.1243 32.4368 -25.1229 217.58 GPRESSURE: 1813800 -69.1384 86.8229 72.2354 96.8339 2.16625 -69.3214 -63.5917 -16.8264 213.515 PRESSAVG: 1813800 -19.3822 -3.45269 19.7692 -3.4527 -16.016 -23.0269 19.7692 -23.0268 8.63441 GPRESSAVG: 1813800 -19.0862 -3.81507 17.4376 -1.64503 -16.5787 -22.4319 21.364 -25.3814 9.19897 TIMING: 1813800 CPU: 5416.62, 0.00298198/step Wall: 5416.62, 0.00298198/step, 2.63922 hours remaining, 207.484375 MB of memory in use. ENERGY: 1813800 728.9106 2080.1644 1946.2812 113.5108 -205877.4255 17771.8835 0.0000 0.0000 34183.6950 -149052.9800 298.5347 -183236.6750 -148960.6152 300.1726 20.3970 48.8475 557127.1254 -8.9213 -8.8220 PRESSURE: 1814000 99.8025 62.6102 126.069 62.6102 -233.818 -104.996 126.067 -104.997 -89.6242 GPRESSURE: 1814000 107.711 111.681 61.3518 94.916 -183.257 -79.8347 138.626 -93.7118 -44.446 PRESSAVG: 1814000 -18.6031 35.6969 -8.72365 35.6968 -55.7246 -33.3688 -8.72368 -33.3689 59.2085 GPRESSAVG: 1814000 -18.4771 35.6641 -7.74297 38.0984 -54.957 -31.6708 -10.8438 -34.8326 58.3593 TIMING: 1814000 CPU: 5417.21, 0.002953/step Wall: 5417.21, 0.002953/step, 2.61341 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1814000 733.1564 2100.0849 1929.1820 105.1800 -206233.0334 17822.4635 0.0000 0.0000 34575.5092 -148967.4574 301.9565 -183542.9667 -148858.1422 299.8163 -74.5467 -39.9973 557531.1254 -5.0398 -5.0249 PRESSURE: 1814200 45.0777 -178.058 114.672 -178.058 -104.56 30.3491 114.672 30.349 -225.387 GPRESSURE: 1814200 52.3109 -170.157 133.68 -83.3734 -2.19176 18.1914 71.7229 76.2478 -232.122 PRESSAVG: 1814200 34.795 7.07081 25.8619 7.07075 -14.7373 31.6916 25.8619 31.6917 20.6811 GPRESSAVG: 1814200 35.2042 5.1184 25.1612 6.21642 -14.9245 30.3069 26.446 33.079 20.1021 TIMING: 1814200 CPU: 5417.81, 0.00296413/step Wall: 5417.81, 0.00296413/step, 2.62309 hours remaining, 207.484375 MB of memory in use. ENERGY: 1814200 716.9571 2104.2336 1957.1182 118.1906 -205596.0938 17435.8549 0.0000 0.0000 34461.3419 -148802.3975 300.9595 -183263.7393 -148702.3440 300.6283 -94.9564 -60.6675 557258.3130 13.5796 13.4606 PRESSURE: 1814400 178.942 -58.6139 59.6149 -58.6135 -160.958 76.2109 59.6149 76.2116 22.389 GPRESSURE: 1814400 193.521 -61.7575 8.64171 -10.4739 -108.735 30.4246 79.4506 68.7148 51.139 PRESSAVG: 1814400 77.5783 -10.2816 -3.06045 -10.2816 -30.3191 -7.25324 -3.06039 -7.25326 11.7506 GPRESSAVG: 1814400 77.5916 -7.69403 -3.02028 -11.4478 -29.7102 -7.619 -2.80259 -7.91642 11.4402 TIMING: 1814400 CPU: 5418.4, 0.00298044/step Wall: 5418.4, 0.00298044/step, 2.63736 hours remaining, 207.484375 MB of memory in use. ENERGY: 1814400 761.5908 2078.7078 1945.0196 113.1842 -205731.3634 17716.6122 0.0000 0.0000 34529.8723 -148586.3766 301.5580 -183116.2490 -148496.8481 300.8504 13.4575 45.3083 559476.3492 19.6699 19.7739 PRESSURE: 1814600 286.953 -182.745 147.604 -182.745 219.612 39.6198 147.606 39.6217 232.299 GPRESSURE: 1814600 299.638 -217.962 11.1623 -118.854 229.981 85.262 234.886 39.5153 317.517 PRESSAVG: 1814600 64.0873 -15.4788 -1.98912 -15.4788 -22.5567 -16.5108 -1.98911 -16.5107 -38.5853 GPRESSAVG: 1814600 64.8874 -15.8634 -2.14571 -14.9849 -23.8081 -16.2521 -2.07499 -15.0618 -38.349 TIMING: 1814600 CPU: 5419, 0.00299933/step Wall: 5419, 0.00299933/step, 2.65391 hours remaining, 207.484375 MB of memory in use. ENERGY: 1814600 733.2023 2073.6423 1943.8248 125.2805 -206243.9127 18097.0769 0.0000 0.0000 34570.0615 -148700.8244 301.9089 -183270.8859 -148597.9843 300.6573 246.2884 282.3785 557683.0858 0.9818 0.9101 PRESSURE: 1814800 -267.235 -113.454 19.5397 -113.454 -75.1156 46.7388 19.5394 46.7392 -84.7845 GPRESSURE: 1814800 -230.714 -101.348 -38.5284 -85.0322 -42.6505 71.4853 57.6727 23.4222 -58.0199 PRESSAVG: 1814800 -30.8115 -44.2777 -30.6093 -44.2777 14.4814 30.1892 -30.6093 30.1892 4.6996 GPRESSAVG: 1814800 -30.5189 -44.3596 -30.3682 -43.2087 13.6828 29.9174 -30.207 30.289 5.64092 TIMING: 1814800 CPU: 5419.6, 0.00298322/step Wall: 5419.6, 0.00298322/step, 2.63948 hours remaining, 207.484375 MB of memory in use. ENERGY: 1814800 777.0684 2168.6277 1925.6940 101.1825 -205395.2674 17432.1824 0.0000 0.0000 34362.7549 -148627.7576 300.0985 -182990.5125 -148534.6252 300.5661 -142.3783 -110.4614 559186.3333 -3.8768 -3.7317 PRESSURE: 1815000 -124.691 -241.554 41.4388 -241.553 -181.062 -34.7972 41.4361 -34.7959 24.1141 GPRESSURE: 1815000 -74.4832 -325.894 89.646 -181.184 -85.8555 0.98559 66.8652 -2.52575 -21.1273 PRESSAVG: 1815000 -63.02 -48.9513 -17.3654 -48.9512 27.9784 42.1246 -17.3655 42.1247 18.6332 GPRESSAVG: 1815000 -62.6504 -49.6157 -17.7007 -49.8155 29.3477 41.5873 -16.2894 40.3855 16.8345 TIMING: 1815000 CPU: 5420.2, 0.00298674/step Wall: 5420.2, 0.00298674/step, 2.64243 hours remaining, 207.484375 MB of memory in use. ENERGY: 1815000 753.6384 2078.0205 1926.4713 104.5584 -205605.2801 17630.9490 0.0000 0.0000 34572.2136 -148539.4289 301.9277 -183111.6425 -148441.6747 300.8928 -93.8796 -60.4887 559832.4684 -5.4694 -5.4894 PRESSURE: 1815200 -181.447 -24.6533 -16.1478 -24.6545 -314.571 -3.59695 -16.1484 -3.59858 -245.04 GPRESSURE: 1815200 -171.214 -53.4922 33.792 -12.5674 -248.123 16.4319 -45.6267 12.726 -224.243 PRESSAVG: 1815200 17.3753 39.1287 -11.3947 39.1286 -43.2646 15.1831 -11.3947 15.1832 -6.86221 GPRESSAVG: 1815200 16.3919 40.0514 -11.117 38.6818 -44.4055 16.3937 -13.4187 14.916 -4.65248 TIMING: 1815200 CPU: 5420.79, 0.00299167/step Wall: 5420.79, 0.00299167/step, 2.64663 hours remaining, 207.484375 MB of memory in use. ENERGY: 1815200 776.1371 2127.6735 1951.3375 117.2383 -205483.9799 17431.1491 0.0000 0.0000 34631.7631 -148448.6813 302.4478 -183080.4444 -148357.2764 301.3905 -247.0194 -214.5267 559396.8966 -10.9172 -10.8887 PRESSURE: 1815400 24.0324 -95.6569 103.049 -95.6567 -40.3406 147.516 103.048 147.515 -207.102 GPRESSURE: 1815400 -13.4264 -169.758 39.0533 -83.8401 2.40151 69.0308 85.0637 127.141 -118.511 PRESSAVG: 1815400 -54.0264 -61.1703 -9.16957 -61.1704 10.7545 27.5058 -9.16959 27.5057 31.9698 GPRESSAVG: 1815400 -53.4562 -62.5554 -8.5437 -59.3794 10.5403 26.184 -8.44242 29.6417 31.444 TIMING: 1815400 CPU: 5421.39, 0.00298284/step Wall: 5421.39, 0.00298284/step, 2.63866 hours remaining, 207.484375 MB of memory in use. ENERGY: 1815400 756.9037 2074.6471 1943.6950 128.2922 -205397.2386 17587.7012 0.0000 0.0000 34570.7969 -148335.2025 301.9154 -182905.9994 -148239.1818 301.2758 -74.4702 -43.1785 558710.7195 -3.7674 -3.8240 PRESSURE: 1815600 63.9922 -3.69932 -0.260012 -3.69927 -176.889 -123.817 -0.260555 -123.817 -45.3119 GPRESSURE: 1815600 83.2361 68.2801 -61.313 -40.8311 -155.509 -215.385 49.3132 -83.9069 19.8988 PRESSAVG: 1815600 -11.7775 -23.0567 -22.5854 -23.0566 4.87291 9.70939 -22.5852 9.70929 20.5577 GPRESSAVG: 1815600 -12.44 -22.7223 -25.4498 -24.2049 5.33223 10.1596 -21.9835 9.21792 20.7608 TIMING: 1815600 CPU: 5421.99, 0.00297966/step Wall: 5421.99, 0.00297966/step, 2.63567 hours remaining, 207.484375 MB of memory in use. ENERGY: 1815600 778.6701 2068.1478 1925.8719 119.6671 -205654.5629 17801.4803 0.0000 0.0000 34462.8522 -148497.8734 300.9727 -182960.7256 -148415.2833 300.8049 -52.7363 -17.4579 557862.5689 4.5510 4.5510 PRESSURE: 1815800 -71.5295 -76.209 33.1157 -76.2093 194.808 108.836 33.1163 108.836 -90.4891 GPRESSURE: 1815800 -114.23 -30.374 -44.8339 -78.9632 236.73 129.613 11.6178 85.1186 -4.88302 PRESSAVG: 1815800 -21.5453 -12.7377 -8.88858 -12.7377 -5.44689 -2.14853 -8.88855 -2.1486 23.9729 GPRESSAVG: 1815800 -21.095 -13.0172 -6.27689 -11.8097 -5.3218 -2.43568 -9.49534 -4.86769 22.9415 TIMING: 1815800 CPU: 5422.58, 0.00298442/step Wall: 5422.58, 0.00298442/step, 2.63972 hours remaining, 207.484375 MB of memory in use. ENERGY: 1815800 746.6700 2069.1878 1967.6155 122.6683 -205601.4343 17675.9691 0.0000 0.0000 34481.9836 -148537.3401 301.1397 -183019.3237 -148441.6721 301.1628 10.9297 39.2056 558832.9683 -1.0064 -1.1584 PRESSURE: 1816000 -46.8689 -7.62133 -64.507 -7.62178 140.503 -150.56 -64.507 -150.561 56.5882 GPRESSURE: 1816000 -24.7666 15.9554 16.2158 -70.5361 135.499 -138.729 -105.195 -126.621 130.689 PRESSAVG: 1816000 31.6738 25.1236 -49.1937 25.1236 -30.8512 11.061 -49.1937 11.061 -48.5895 GPRESSAVG: 1816000 31.4497 26.503 -48.1275 22.8815 -31.7349 8.50248 -48.6458 14.9598 -47.7194 TIMING: 1816000 CPU: 5423.18, 0.0029875/step Wall: 5423.18, 0.0029875/step, 2.64228 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1816000 759.0314 2105.2410 1932.6814 116.3021 -206060.6769 17803.1473 0.0000 0.0000 34469.1745 -148875.0993 301.0279 -183344.2738 -148775.2363 301.0284 50.0742 80.4741 557989.5314 -15.9223 -16.0015 PRESSURE: 1816200 -112.328 -1.98301 18.7856 -1.98387 -64.7151 -11.8593 18.7855 -11.8598 -181.622 GPRESSURE: 1816200 -66.451 32.619 -9.22851 -1.47743 -35.3867 30.6921 35.0305 -50.8679 -159.001 PRESSAVG: 1816200 43.0016 -1.02714 20.8791 -1.02712 -22.274 4.38148 20.8792 4.38147 -50.8344 GPRESSAVG: 1816200 43.6967 -1.97579 19.6508 0.946869 -21.6195 5.06067 21.0221 3.78592 -51.6703 TIMING: 1816200 CPU: 5423.77, 0.00296053/step Wall: 5423.77, 0.00296053/step, 2.61826 hours remaining, 207.484375 MB of memory in use. ENERGY: 1816200 713.8940 2099.3711 1914.4161 117.7670 -205751.2454 17686.1421 0.0000 0.0000 34429.4399 -148790.2152 300.6809 -183219.6551 -148692.5215 300.6797 -119.5548 -86.9461 559293.7624 -10.0356 -9.8644 LDB: ============= START OF LOAD BALANCING ============== 5427.32 LDB: ============== END OF LOAD BALANCING =============== 5427.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5427.32 LDB: ============= START OF LOAD BALANCING ============== 5427.62 LDB: Largest compute 4773 load 0.026954 is 22.8% of average load 0.118135 LDB: Average compute 0.001733 is 1.5% of average load 0.118135 LDB: TIME 5427.63 LOAD: AVG 0.118135 MAX 0.213885 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 5427.63 LOAD: AVG 0.118135 MAX 0.213885 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: TIME 5427.63 LOAD: AVG 0.118135 MAX 0.213885 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5427.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5427.63 PRESSURE: 1816400 39.9795 -27.5612 120.38 -27.5622 -205.221 59.7303 120.38 59.7285 158.459 GPRESSURE: 1816400 42.2716 14.5512 94.7475 -27.7368 -117.432 23.2077 99.3141 38.6641 172.587 PRESSAVG: 1816400 -1.12127 -4.2132 28.8423 -4.21305 -87.6183 -15.802 28.8424 -15.8021 58.9511 GPRESSAVG: 1816400 -1.75703 -4.6674 28.1635 -3.13301 -87.639 -15.7765 28.2387 -17.8618 59.2835 TIMING: 1816400 CPU: 5424.38, 0.00304355/step Wall: 5424.38, 0.00304355/step, 2.69151 hours remaining, 206.511719 MB of memory in use. ENERGY: 1816400 728.7298 2057.0114 1943.1238 108.5806 -205771.9940 17697.6323 0.0000 0.0000 34484.6403 -148752.2759 301.1629 -183236.9161 -148655.6591 300.2691 -2.2608 32.4756 559380.8687 -9.9295 -10.0375 PRESSURE: 1816600 -36.6702 109.848 242.663 109.849 -173.917 66.9549 242.664 66.9555 -152.721 GPRESSURE: 1816600 -34.2177 58.8864 268.181 87.5115 -120.595 105.104 226.065 132.316 -114.75 PRESSAVG: 1816600 62.6752 -5.04992 0.368758 -5.04983 -14.7176 -15.5159 0.368721 -15.516 -53.0384 GPRESSAVG: 1816600 62.7419 -3.70442 1.24415 -7.61296 -14.3529 -14.1002 0.10741 -15.4638 -52.9 TIMING: 1816600 CPU: 5424.98, 0.00297479/step Wall: 5424.98, 0.00297479/step, 2.63054 hours remaining, 206.511719 MB of memory in use. ENERGY: 1816600 758.6088 2067.1995 1936.1878 110.8356 -205550.3222 17579.5452 0.0000 0.0000 34345.6632 -148752.2821 299.9492 -183097.9453 -148648.1807 300.2435 -121.1030 -89.8542 558767.9162 -1.6936 -1.5037 PRESSURE: 1816800 128.858 -122.273 -15.2029 -122.273 -162.851 178.375 -15.2026 178.375 -129.063 GPRESSURE: 1816800 91.3349 -79.5486 0.0986673 -105.776 -88.9739 128.372 -43.8347 226.561 -74.187 PRESSAVG: 1816800 23.3337 -0.433358 43.1119 -0.433406 -22.9787 0.88194 43.1119 0.881952 -1.72798 GPRESSAVG: 1816800 22.9351 -2.41776 41.9673 1.49575 -24.0372 -1.02173 43.3965 2.26599 -0.754516 TIMING: 1816800 CPU: 5425.57, 0.00298226/step Wall: 5425.57, 0.00298226/step, 2.63698 hours remaining, 206.511719 MB of memory in use. ENERGY: 1816800 762.8926 2127.4001 1910.9708 109.3724 -205679.1906 17700.2284 0.0000 0.0000 34279.8034 -148788.5230 299.3740 -183068.3264 -148698.6851 300.4560 -54.3519 -23.9420 559123.9969 -0.4577 -0.6189 PRESSURE: 1817000 86.2239 -93.3394 107.923 -93.339 148.663 -78.3542 107.924 -78.3529 208.343 GPRESSURE: 1817000 109.516 -69.25 57.0608 -78.2156 209.234 -53.4369 175.26 40.2516 219.18 PRESSAVG: 1817000 -36.7311 19.2456 83.886 19.2456 71.6379 23.9709 83.886 23.971 33.1687 GPRESSAVG: 1817000 -36.2483 21.334 85.4142 17.5052 72.4696 25.097 83.2289 23.8618 32.3687 TIMING: 1817000 CPU: 5426.17, 0.00300603/step Wall: 5426.17, 0.00300603/step, 2.65783 hours remaining, 206.511719 MB of memory in use. ENERGY: 1817000 738.3465 2102.0095 1909.2977 108.9917 -206161.0402 17885.2962 0.0000 0.0000 34521.0155 -148896.0831 301.4806 -183417.0987 -148799.3528 299.7348 147.7433 179.3100 556291.1828 22.6918 22.8633 PRESSURE: 1817200 57.7612 -107.073 29.592 -107.074 47.2788 27.5652 29.591 27.5643 76.6215 GPRESSURE: 1817200 66.0789 -101.559 -14.9804 -93.6872 98.4616 59.5128 72.7298 19.1112 109.24 PRESSAVG: 1817200 5.51899 5.12076 44.7877 5.12071 7.21114 -10.7237 44.7877 -10.7237 -1.19352 GPRESSAVG: 1817200 5.9266 3.41621 43.2467 8.65934 6.8764 -10.9449 45.9002 -12.0941 -2.04561 TIMING: 1817200 CPU: 5426.77, 0.00299334/step Wall: 5426.77, 0.00299334/step, 2.64645 hours remaining, 206.511719 MB of memory in use. ENERGY: 1817200 746.3201 2058.2986 1946.2167 110.3945 -205780.7691 17823.4432 0.0000 0.0000 34345.2874 -148750.8086 299.9459 -183096.0960 -148646.0209 300.1215 60.5538 91.2601 557220.1653 3.8455 3.5858 PRESSURE: 1817400 -95.914 -155.59 235.12 -155.588 -154.542 106.614 235.12 106.615 46.4049 GPRESSURE: 1817400 -36.7106 -136.568 273.83 -163.483 -157.049 202.014 170.036 -10.0064 77.2515 PRESSAVG: 1817400 40.866 4.12705 33.3424 4.12703 28.6358 15.0054 33.3424 15.0054 -18.6339 GPRESSAVG: 1817400 39.9169 2.84064 36.5328 2.61289 29.2328 17.5743 31.0277 15.3175 -17.7861 TIMING: 1817400 CPU: 5427.37, 0.0029994/step Wall: 5427.37, 0.0029994/step, 2.65164 hours remaining, 206.511719 MB of memory in use. ENERGY: 1817400 744.0135 2086.5022 1909.4412 102.5096 -205643.6444 17691.7088 0.0000 0.0000 34140.1896 -148969.2794 298.1548 -183109.4690 -148881.2483 299.3750 -68.0170 -38.8359 559658.0424 16.9560 17.1212 PRESSURE: 1817600 -127.11 -102.394 66.949 -102.395 -41.6877 59.7061 66.9487 59.7046 -41.1917 GPRESSURE: 1817600 -136.698 -165.415 124.192 -104.765 25.2547 104.033 49.3651 99.4701 7.16503 PRESSAVG: 1817600 72.9031 -84.4369 42.1066 -84.4369 -43.7523 -12.482 42.1065 -12.4821 -68.9386 GPRESSAVG: 1817600 74.2218 -83.9056 41.4047 -83.2451 -44.0546 -15.287 42.9507 -12.4488 -69.6883 TIMING: 1817600 CPU: 5427.97, 0.00300124/step Wall: 5427.97, 0.00300124/step, 2.65309 hours remaining, 206.511719 MB of memory in use. ENERGY: 1817600 782.5663 2076.3533 1916.7393 106.0095 -206007.1778 17875.6063 0.0000 0.0000 34325.6190 -148924.2840 299.7742 -183249.9030 -148829.6380 300.0371 -69.9963 -34.7594 558413.5371 -13.2626 -13.1737 PRESSURE: 1817800 338.993 68.0135 60.8903 68.0139 171.437 96.4421 60.8907 96.4424 101.03 GPRESSURE: 1817800 342.691 4.97354 139.039 33.047 200.153 63.8215 -26.5506 102.806 166.081 PRESSAVG: 1817800 13.7088 -6.77899 46.0483 -6.77891 -3.97664 -1.62929 46.0483 -1.62926 59.4663 GPRESSAVG: 1817800 14.0361 -6.59193 44.8581 -9.37899 -5.55139 -0.139924 46.2191 -2.44872 60.3972 TIMING: 1817800 CPU: 5428.57, 0.0030023/step Wall: 5428.57, 0.0030023/step, 2.65386 hours remaining, 206.511719 MB of memory in use. ENERGY: 1817800 737.3116 2089.4751 1944.2599 96.5823 -206488.7076 18122.0576 0.0000 0.0000 34293.8796 -149205.1415 299.4970 -183499.0211 -149106.5628 299.6990 203.8200 236.3086 557571.3019 23.0661 22.9606 PRESSURE: 1818000 -190.462 -130.357 60.6051 -130.359 -134.913 -100.054 60.6049 -100.054 -110.435 GPRESSURE: 1818000 -177.915 -112.316 73.7443 -28.6622 -57.4758 -112.43 86.933 -140.976 -99.0805 PRESSAVG: 1818000 -4.12213 -29.3769 0.538543 -29.3771 24.5931 -35.6532 0.53851 -35.6531 29.5887 GPRESSAVG: 1818000 -5.29335 -29.1208 0.261415 -28.0283 26.0087 -37.9939 1.23879 -33.8928 29.4764 TIMING: 1818000 CPU: 5429.17, 0.00298633/step Wall: 5429.17, 0.00298633/step, 2.63959 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1818000 763.0881 2078.1266 1915.7266 112.7081 -205945.2637 17712.8904 0.0000 0.0000 34131.0561 -149231.6678 298.0750 -183362.7239 -149133.7768 298.8390 -145.2701 -111.4904 559221.9524 16.6865 16.7306 PRESSURE: 1818200 -1.4008 -114.164 -19.7978 -114.165 -81.963 63.4969 -19.7973 63.497 63.7667 GPRESSURE: 1818200 15.1571 -189.948 -35.9796 60.8699 -59.8498 140.321 -150.738 59.9375 133.889 PRESSAVG: 1818200 -25.369 -9.50316 -24.232 -9.50312 -9.39449 -26.7232 -24.232 -26.723 22.8904 GPRESSAVG: 1818200 -25.2034 -8.32018 -24.9526 -10.6225 -9.52669 -26.7876 -23.3772 -27.8354 23.5065 TIMING: 1818200 CPU: 5429.76, 0.00295121/step Wall: 5429.76, 0.00295121/step, 2.60838 hours remaining, 206.511719 MB of memory in use. ENERGY: 1818200 762.5173 2049.4820 1928.7203 109.3547 -206273.3231 17756.1295 0.0000 0.0000 34381.6142 -149285.5050 300.2632 -183667.1192 -149193.6093 299.4605 -6.5324 29.7319 558422.9654 -3.9577 -3.7412 PRESSURE: 1818400 -222.554 53.8598 -97.6246 53.8604 -141.777 -104.91 -97.6253 -104.908 -51.5489 GPRESSURE: 1818400 -129.883 40.8447 -73.7013 2.66537 -174.918 -195.48 -66.7224 -26.9781 -20.067 PRESSAVG: 1818400 -29.5838 -13.5918 -46.7314 -13.5918 7.48912 -8.85141 -46.7314 -8.85137 7.53967 GPRESSAVG: 1818400 -29.4533 -15.3197 -47.766 -12.6763 7.05828 -6.40802 -47.8239 -8.81849 7.57291 TIMING: 1818400 CPU: 5430.36, 0.00299647/step Wall: 5430.36, 0.00299647/step, 2.64821 hours remaining, 206.511719 MB of memory in use. ENERGY: 1818400 754.6765 2024.1144 1950.2484 105.2299 -206173.0761 17782.7762 0.0000 0.0000 34291.2170 -149264.8138 299.4737 -183556.0307 -149172.1470 298.6578 -138.6264 -108.2892 559151.1359 -4.8517 -4.9407 PRESSURE: 1818600 20.6727 -87.446 34.3714 -87.4458 182.158 89.8115 34.3716 89.8118 -1.02107 GPRESSURE: 1818600 81.1218 -112.022 94.1109 -62.682 193.493 51.5956 -0.826848 98.3946 25.3155 PRESSAVG: 1818600 -89.258 -32.2232 8.38743 -32.2232 79.0489 32.9819 8.38742 32.982 -7.4889 GPRESSAVG: 1818600 -89.4761 -30.7703 10.6405 -33.6363 79.469 31.5643 7.2954 33.4222 -7.17 TIMING: 1818600 CPU: 5430.96, 0.0029742/step Wall: 5430.96, 0.0029742/step, 2.62836 hours remaining, 206.511719 MB of memory in use. ENERGY: 1818600 688.3405 2107.5422 1916.0994 103.8204 -206175.2583 17822.7113 0.0000 0.0000 34400.1589 -149136.5857 300.4251 -183536.7446 -149034.1413 298.7951 67.2698 99.9767 557849.7958 -5.8994 -5.7257 PRESSURE: 1818800 -2.13809 -56.1466 90.2162 -56.1459 12.5522 -26.3758 90.2168 -26.3772 79.4789 GPRESSURE: 1818800 10.5231 -122.884 45.4534 43.1966 66.936 20.5484 62.4775 1.14623 108.902 PRESSAVG: 1818800 -35.4726 19.138 -2.71994 19.1381 114.622 47.2798 -2.72007 47.2797 -14.8163 GPRESSAVG: 1818800 -34.5254 18.4958 -3.80711 18.1737 114.716 49.0766 -3.89878 47.2919 -15.7824 TIMING: 1818800 CPU: 5431.55, 0.00296581/step Wall: 5431.55, 0.00296581/step, 2.62078 hours remaining, 206.511719 MB of memory in use. ENERGY: 1818800 737.1504 2062.6786 1954.1869 111.9513 -205945.3562 17812.5837 0.0000 0.0000 34181.5458 -149085.2595 298.5159 -183266.8053 -148982.5100 299.3919 29.9643 62.1203 557527.8578 21.4443 21.4694 PRESSURE: 1819000 9.72776 -26.7725 -39.1821 -26.7738 54.318 -45.9526 -39.1822 -45.9542 160.871 GPRESSURE: 1819000 -29.8768 -56.3854 -71.9648 -64.7437 168.341 -9.49452 -84.3446 -60.9639 191.82 PRESSAVG: 1819000 -37.8154 -16.164 26.0252 -16.164 23.3181 13.837 26.0253 13.8368 -27.6885 GPRESSAVG: 1819000 -39.7156 -15.3415 26.4347 -15.7077 23.505 14.323 28.8877 12.0686 -26.2271 TIMING: 1819000 CPU: 5432.15, 0.00300445/step Wall: 5432.15, 0.00300445/step, 2.65476 hours remaining, 206.511719 MB of memory in use. ENERGY: 1819000 716.9055 2008.2618 1899.0996 95.3138 -206210.4751 17887.2446 0.0000 0.0000 34331.2116 -149272.4382 299.8230 -183603.6498 -149169.6751 298.5203 74.9724 110.0946 557661.6223 -14.0619 -14.1459 PRESSURE: 1819200 -3.22776 170.133 226.845 170.132 -239.08 -85.516 226.844 -85.5174 -405.752 GPRESSURE: 1819200 24.7344 197.983 111.924 173.113 -259.433 -110.011 230.261 -37.5616 -320.883 PRESSAVG: 1819200 -4.56066 32.8289 3.4357 32.8289 5.80975 -13.4232 3.43569 -13.4232 15.351 GPRESSAVG: 1819200 -4.04947 32.373 1.25146 33.555 6.29032 -12.6519 1.22859 -13.7896 14.3856 TIMING: 1819200 CPU: 5432.74, 0.00297105/step Wall: 5432.74, 0.00297105/step, 2.62509 hours remaining, 206.511719 MB of memory in use. ENERGY: 1819200 765.7162 2086.6762 1894.7146 110.3320 -206218.6309 17755.0198 0.0000 0.0000 34314.4427 -149291.7295 299.6766 -183606.1722 -149189.7416 298.6335 -216.0198 -185.1941 559071.2219 5.5334 5.5422 PRESSURE: 1819400 -129.273 -7.77884 108.762 -7.77935 91.056 13.172 108.762 13.1728 33.1923 GPRESSURE: 1819400 -71.1852 40.3083 96.9371 35.5385 77.1025 17.0293 123.49 -41.5272 81.9332 PRESSAVG: 1819400 110.581 17.827 12.0583 17.8271 10.0337 30.6924 12.0584 30.6923 -86.8714 GPRESSAVG: 1819400 109.733 17.5203 12.9113 17.3144 8.94193 30.3682 13.7743 31.1613 -86.2706 TIMING: 1819400 CPU: 5433.34, 0.00296756/step Wall: 5433.34, 0.00296756/step, 2.62184 hours remaining, 206.511719 MB of memory in use. ENERGY: 1819400 722.0636 2067.0959 1892.1287 110.5382 -206290.6347 17854.5321 0.0000 0.0000 34278.9237 -149365.3526 299.3664 -183644.2763 -149270.5082 298.7760 -1.6748 29.2835 558181.4737 11.2478 10.8014 PRESSURE: 1819600 171.764 -172.797 31.0448 -172.798 194.706 -120.132 31.0451 -120.131 225.442 GPRESSURE: 1819600 240.011 -226.253 30.235 -134.189 180.213 -130.548 -50.449 -69.902 256.292 PRESSAVG: 1819600 11.0847 10.5727 52.9154 10.5728 -16.7326 9.31301 52.9155 9.31297 -5.42381 GPRESSAVG: 1819600 11.7561 10.9754 55.0021 10.4656 -17.3839 6.86152 49.7705 10.9245 -4.70767 TIMING: 1819600 CPU: 5433.94, 0.0030075/step Wall: 5433.94, 0.0030075/step, 2.65696 hours remaining, 206.511719 MB of memory in use. ENERGY: 1819600 789.0104 2072.0385 1921.8716 118.1559 -206746.3213 18135.8298 0.0000 0.0000 34302.2542 -149407.1608 299.5701 -183709.4151 -149315.5008 298.6234 197.3038 225.5056 557529.3674 -3.6906 -3.4452 PRESSURE: 1819800 -211.086 34.9153 -10.8406 34.9158 33.588 23.7225 -10.8425 23.7223 -125.046 GPRESSURE: 1819800 -133.353 162.513 45.3422 -65.1892 56.0274 0.712208 30.8361 64.1866 -112.122 PRESSAVG: 1819800 -17.9794 3.30406 7.49715 3.30414 34.0513 55.0444 7.49713 55.0444 -26.7678 GPRESSAVG: 1819800 -16.6445 4.55681 5.92154 3.39627 33.4562 57.1878 11.3014 54.5055 -26.8489 TIMING: 1819800 CPU: 5434.55, 0.00307415/step Wall: 5434.55, 0.00307415/step, 2.71567 hours remaining, 206.511719 MB of memory in use. ENERGY: 1819800 770.8979 2122.3283 1895.9873 98.0973 -206394.8727 17950.3516 0.0000 0.0000 34070.2663 -149486.9440 297.5441 -183557.2103 -149402.6410 298.0625 -100.8480 -63.1493 558036.0994 -3.5653 -3.3457 PRESSURE: 1820000 33.2631 -118.527 -55.1006 -118.527 107.086 60.6213 -55.0993 60.6219 -262.612 GPRESSURE: 1820000 95.2638 -76.301 -123.931 -168.374 90.7673 102.494 31.769 46.9748 -204.638 PRESSAVG: 1820000 3.55322 -19.4715 18.9214 -19.4714 43.7667 22.1002 18.9214 22.1003 -58.2264 GPRESSAVG: 1820000 3.76185 -20.1707 20.6656 -19.6656 43.6768 21.6009 17.1949 20.6647 -58.0238 TIMING: 1820000 CPU: 5435.15, 0.00298427/step Wall: 5435.15, 0.00298427/step, 2.6361 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1820000 735.3910 2079.5702 1913.0107 108.7277 -206338.0499 17784.8829 0.0000 0.0000 34259.8188 -149456.6486 299.1995 -183716.4674 -149360.4016 298.3998 -40.7543 -6.2022 557378.4003 -3.6355 -3.5284 PRESSURE: 1820200 270.009 10.5674 60.1632 10.567 -47.9769 -126.139 60.1624 -126.137 176.161 GPRESSURE: 1820200 289.193 3.90219 129.257 -3.3059 -40.4319 -158.139 42.2135 -97.723 231.918 PRESSAVG: 1820200 43.2613 4.52361 49.1391 4.52356 -2.77838 38.7095 49.1391 38.7096 -17.5707 GPRESSAVG: 1820200 42.5242 5.90937 47.6984 4.52876 -2.5084 35.7134 50.9486 40.7567 -17.6545 TIMING: 1820200 CPU: 5435.74, 0.00295075/step Wall: 5435.74, 0.00295075/step, 2.60633 hours remaining, 206.511719 MB of memory in use. ENERGY: 1820200 752.2299 2060.1229 1936.1908 119.2586 -206521.2458 18028.7258 0.0000 0.0000 34102.3802 -149522.3377 297.8246 -183624.7178 -149424.4982 298.5163 132.7309 160.2263 558505.8529 7.6374 7.4538 LDB: ============= START OF LOAD BALANCING ============== 5439.29 LDB: ============== END OF LOAD BALANCING =============== 5439.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5439.29 LDB: ============= START OF LOAD BALANCING ============== 5439.59 LDB: Largest compute 4772 load 0.027884 is 23.6% of average load 0.118190 LDB: Average compute 0.001734 is 1.5% of average load 0.118190 LDB: TIME 5439.59 LOAD: AVG 0.11819 MAX 0.213816 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 5439.59 LOAD: AVG 0.11819 MAX 0.213816 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: TIME 5439.59 LOAD: AVG 0.11819 MAX 0.213816 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5439.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5439.6 PRESSURE: 1820400 -69.4011 -195.749 -103.55 -195.748 -75.8634 -48.8321 -103.55 -48.833 0.647103 GPRESSURE: 1820400 -56.4453 -149.36 -106.409 -108.789 -65.8202 -86.8709 -135.86 11.1383 69.4839 PRESSAVG: 1820400 -77.7624 -70.519 -11.184 -70.519 70.6846 33.2821 -11.1842 33.282 -3.76167 GPRESSAVG: 1820400 -79.1825 -72.0685 -10.3756 -70.4973 70.8605 36.1042 -13.665 32.6972 -3.02854 TIMING: 1820400 CPU: 5436.35, 0.00304322/step Wall: 5436.35, 0.00304322/step, 2.68784 hours remaining, 206.714844 MB of memory in use. ENERGY: 1820400 763.0622 2124.3156 1942.3666 110.9397 -206514.7476 17984.0727 0.0000 0.0000 33968.4859 -149621.5048 296.6552 -183589.9907 -149523.2435 298.2143 -48.2058 -17.5939 558814.3606 -3.6132 -3.7835 PRESSURE: 1820600 36.9696 4.22173 -12.6119 4.22245 -159.213 130.945 -12.6119 130.947 -126.595 GPRESSURE: 1820600 87.2642 -60.1181 -33.6826 -79.2438 -153.17 88.6816 -45.5567 162.519 -82.9468 PRESSAVG: 1820600 -5.6141 -30.0467 -52.1113 -30.0465 -30.1805 5.73475 -52.1113 5.73474 -22.1517 GPRESSAVG: 1820600 -5.48454 -29.782 -52.2453 -29.8843 -29.4375 2.52362 -50.7322 7.90899 -22.1265 TIMING: 1820600 CPU: 5436.94, 0.00297334/step Wall: 5436.94, 0.00297334/step, 2.62596 hours remaining, 206.917969 MB of memory in use. ENERGY: 1820600 708.4185 2102.3994 1936.8640 117.7583 -206208.8611 17668.6658 0.0000 0.0000 34107.0213 -149567.7338 297.8651 -183674.7551 -149477.7372 297.9950 -82.9460 -49.6177 558798.9206 -19.3154 -19.0162 PRESSURE: 1820800 -99.9413 -81.8822 -114.727 -81.8814 303.56 -144.962 -114.727 -144.963 -129.678 GPRESSURE: 1820800 -99.0181 -53.653 -104.376 -82.187 345.278 -74.158 -184.344 -249.131 -78.5221 PRESSAVG: 1820800 -26.9614 7.51755 -45.4373 7.5176 65.8458 35.6257 -45.4372 35.6259 -92.8375 GPRESSAVG: 1820800 -26.1 7.56279 -47.183 7.25204 65.6361 36.8387 -46.3734 34.5353 -93.9035 TIMING: 1820800 CPU: 5437.54, 0.00298942/step Wall: 5437.54, 0.00298942/step, 2.63999 hours remaining, 206.917969 MB of memory in use. ENERGY: 1820800 735.5675 2081.4077 1934.1656 104.9360 -206508.2170 17914.4157 0.0000 0.0000 34102.5218 -149635.2028 297.8258 -183737.7246 -149546.2555 298.3003 24.6470 55.9125 556480.8919 -17.9844 -18.1225 PRESSURE: 1821000 185.784 38.2159 113.102 38.2148 274.454 5.90498 113.102 5.90755 216.333 GPRESSURE: 1821000 239.653 28.902 11.4279 13.8678 339.02 11.1581 105.222 -22.3484 189.873 PRESSAVG: 1821000 -13.3053 1.65528 2.64601 1.65526 73.2862 -14.5954 2.64601 -14.5954 -32.6516 GPRESSAVG: 1821000 -14.5563 3.26007 2.30131 1.11469 74.2268 -13.1105 5.30982 -16.3252 -32.1835 TIMING: 1821000 CPU: 5438.15, 0.00302208/step Wall: 5438.15, 0.00302208/step, 2.66867 hours remaining, 206.917969 MB of memory in use. ENERGY: 1821000 697.1385 2073.8331 1933.5452 108.2003 -206563.4572 18010.0329 0.0000 0.0000 34077.5687 -149663.1385 297.6079 -183740.7072 -149563.4059 298.3494 225.5234 256.1820 556021.5443 9.1098 9.1623 PRESSURE: 1821200 144.559 57.5555 -73.251 57.5558 -250.311 3.7555 -73.2517 3.75408 88.2498 GPRESSURE: 1821200 141.731 12.1158 -55.8321 33.535 -231.592 -14.2872 -119.768 11.0763 167.337 PRESSAVG: 1821200 16.2001 -14.0961 -19.5096 -14.0961 -22.9348 -50.2584 -19.5096 -50.2583 -21.6007 GPRESSAVG: 1821200 18.6818 -16.3961 -18.624 -14.6857 -25.4108 -52.4112 -20.0741 -45.6907 -21.6613 TIMING: 1821200 CPU: 5438.75, 0.00301227/step Wall: 5438.75, 0.00301227/step, 2.65984 hours remaining, 206.917969 MB of memory in use. ENERGY: 1821200 757.5707 2082.8292 1929.5925 119.0990 -206309.1460 17668.6674 0.0000 0.0000 34161.9560 -149589.4311 298.3449 -183751.3871 -149487.1372 298.6202 -5.8340 25.8255 556189.0472 -9.4452 -9.4634 PRESSURE: 1821400 -32.7431 60.5711 -132.773 60.571 43.1734 -3.2408 -132.772 -3.24288 -204.15 GPRESSURE: 1821400 1.09308 9.05495 -64.6396 59.233 63.8811 64.0791 -172.131 -60.1696 -161.028 PRESSAVG: 1821400 85.7296 -36.2794 17.0811 -36.2794 -0.692553 -13.0072 17.081 -13.0074 -53.4303 GPRESSAVG: 1821400 83.794 -36.5425 16.6623 -33.8015 0.612646 -13.3218 16.3184 -15.0893 -53.6876 TIMING: 1821400 CPU: 5439.35, 0.00299599/step Wall: 5439.35, 0.00299599/step, 2.64529 hours remaining, 206.917969 MB of memory in use. ENERGY: 1821400 802.7593 2042.4649 1939.8722 109.2170 -206427.0538 17886.8842 0.0000 0.0000 34161.0250 -149484.8312 298.3367 -183645.8562 -149392.4266 298.5554 -64.5731 -32.0178 558219.6112 10.5356 10.2397 PRESSURE: 1821600 -277.091 -234.567 -49.6485 -234.567 -212.139 129.83 -49.6486 129.827 -275.749 GPRESSURE: 1821600 -231.245 -317.436 30.5931 -221.298 -176.451 163.496 -6.99086 90.4907 -273.67 PRESSAVG: 1821600 66.2272 -8.17116 5.49894 -8.17109 -68.4271 -42.6561 5.49895 -42.6561 -42.8275 GPRESSAVG: 1821600 66.9652 -7.01345 5.77176 -10.5482 -69.3005 -40.0597 4.17965 -44.4351 -42.7129 TIMING: 1821600 CPU: 5439.94, 0.00297368/step Wall: 5439.94, 0.00297368/step, 2.62543 hours remaining, 206.917969 MB of memory in use. ENERGY: 1821600 753.0089 2115.6985 1935.7897 114.2463 -205962.9300 17468.7686 0.0000 0.0000 34085.3971 -149490.0209 297.6763 -183575.4180 -149394.3159 298.8278 -254.9930 -227.1224 557857.0761 -15.0092 -15.0161 PRESSURE: 1821800 -74.7016 -27.2285 50.3318 -27.2299 -230.591 -29.8582 50.3313 -29.8567 -179.877 GPRESSURE: 1821800 -107.665 -82.7435 108.955 -72.9091 -149.656 -50.1371 95.6225 -80.3846 -99.129 PRESSAVG: 1821800 42.9632 -28.7954 71.3416 -28.7953 -21.9366 -57.1249 71.3416 -57.1249 31.7106 GPRESSAVG: 1821800 42.2132 -29.0797 71.4858 -27.169 -21.3608 -59.9283 71.255 -55.1264 31.8573 TIMING: 1821800 CPU: 5440.54, 0.00296455/step Wall: 5440.54, 0.00296455/step, 2.6172 hours remaining, 206.917969 MB of memory in use. ENERGY: 1821800 772.1136 2100.6155 1923.9185 108.6634 -206475.4223 17919.6202 0.0000 0.0000 34215.6895 -149434.8016 298.8141 -183650.4911 -149334.0893 299.8022 -161.7231 -118.8168 558997.3821 17.5791 17.5699 PRESSURE: 1822000 -262.519 23.6266 -3.3975 23.6267 25.7131 128.155 -3.39835 128.155 -31.661 GPRESSURE: 1822000 -203.759 83.368 -4.02397 68.2153 112.853 144.376 52.4882 126.166 -77.4585 PRESSAVG: 1822000 -32.4808 6.59916 28.1965 6.59915 -14.6762 3.11646 28.1965 3.11649 54.3737 GPRESSAVG: 1822000 -33.3584 8.07694 28.9981 3.78888 -14.073 5.45476 27.3371 2.17484 53.6727 TIMING: 1822000 CPU: 5441.13, 0.00295093/step Wall: 5441.13, 0.00295093/step, 2.60502 hours remaining, 206.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1822000 762.0529 2050.6540 1947.7025 119.6363 -206335.2882 17768.6661 0.0000 0.0000 34121.0211 -149565.5552 297.9874 -183686.5763 -149471.8438 298.6751 -89.4888 -56.1217 557862.3027 2.4056 2.0804 PRESSURE: 1822200 -313.143 167.971 38.9246 167.971 -190.997 -3.48662 38.9248 -3.48764 232.743 GPRESSURE: 1822200 -284.198 100.808 7.31351 148.498 -173.099 -42.5443 45.4393 5.86125 286.349 PRESSAVG: 1822200 10.0347 -16.6251 31.3855 -16.6251 89.3125 -41.2028 31.3855 -41.2029 -38.1738 GPRESSAVG: 1822200 11.337 -19.7861 30.0687 -14.6351 88.002 -40.9379 32.6354 -41.5641 -38.2146 TIMING: 1822200 CPU: 5441.72, 0.00295838/step Wall: 5441.72, 0.00295838/step, 2.61143 hours remaining, 206.917969 MB of memory in use. ENERGY: 1822200 741.7534 2104.4655 1920.4262 101.4601 -206482.5790 17916.6333 0.0000 0.0000 34007.5591 -149690.2814 296.9965 -183697.8405 -149594.2853 298.1743 -90.4659 -56.9825 558950.8854 20.3911 20.3748 PRESSURE: 1822400 38.206 34.0769 33.2927 34.0769 118.535 5.61293 33.2937 5.61359 95.7917 GPRESSURE: 1822400 110.789 29.5976 43.8401 14.9739 127.28 37.4589 41.073 -20.1153 125.233 PRESSAVG: 1822400 -60.0061 8.65575 8.34745 8.65574 58.5394 6.20837 8.34747 6.20837 6.86032 GPRESSAVG: 1822400 -59.8948 12.2769 7.17231 5.86522 57.4166 5.12163 11.2 8.07677 7.77949 TIMING: 1822400 CPU: 5442.31, 0.00296756/step Wall: 5442.31, 0.00296756/step, 2.61937 hours remaining, 206.917969 MB of memory in use. ENERGY: 1822400 715.4127 2088.6402 1937.6360 117.8480 -206418.8129 17955.8941 0.0000 0.0000 33874.7766 -149728.6054 295.8368 -183603.3820 -149627.3115 297.7152 84.1774 121.1008 558357.7632 1.7979 1.7671 PRESSURE: 1822600 -107.554 8.60719 51.5602 8.60749 76.8427 -80.7918 51.5591 -80.7919 0.47143 GPRESSURE: 1822600 -72.4799 -31.7983 89.9198 18.3105 117.364 -147.938 56.9635 -54.5599 16.9885 PRESSAVG: 1822600 -56.4971 24.3409 35.4722 24.3409 0.332945 -36.3716 35.4722 -36.3715 -7.83851 GPRESSAVG: 1822600 -58.0472 23.3101 38.1374 26.6871 2.01221 -37.1331 32.8966 -35.7435 -8.08681 TIMING: 1822600 CPU: 5442.91, 0.00299361/step Wall: 5442.91, 0.00299361/step, 2.64219 hours remaining, 206.917969 MB of memory in use. ENERGY: 1822600 748.2385 2115.6798 1942.7935 105.2098 -206575.2114 18006.3701 0.0000 0.0000 34019.8493 -149637.0703 297.1038 -183656.9197 -149543.8473 297.4472 -10.0800 20.6242 558576.8753 -21.3342 -21.3739 PRESSURE: 1822800 -185.063 55.5806 -37.3917 55.5809 39.4681 -65.6548 -37.3926 -65.654 -88.3465 GPRESSURE: 1822800 -139.089 42.0961 15.5983 29.0218 48.4261 63.429 -124.254 -39.0288 -54.8161 PRESSAVG: 1822800 -27.9439 24.9715 -45.4706 24.9717 81.2597 1.15539 -45.4705 1.15528 -1.47533 GPRESSAVG: 1822800 -26.2679 25.6501 -43.6212 22.421 80.1174 4.89713 -46.9873 -2.35867 -1.4814 TIMING: 1822800 CPU: 5443.51, 0.00298093/step Wall: 5443.51, 0.00298093/step, 2.63083 hours remaining, 206.917969 MB of memory in use. ENERGY: 1822800 752.3445 2053.7673 1910.5146 105.6217 -206246.4832 17808.8168 0.0000 0.0000 33986.3286 -149629.0897 296.8111 -183615.4183 -149539.5574 298.0950 -77.9804 -48.4929 557970.5338 17.2802 17.4560 PRESSURE: 1823000 -16.2291 -176.656 -32.676 -176.655 -121.631 -105.824 -32.6762 -105.825 -189.67 GPRESSURE: 1823000 17.8189 -112.985 -47.8973 -172.679 -103.18 -62.0876 -94.5624 -99.0792 -165.482 PRESSAVG: 1823000 -13.9371 -62.3524 -14.9718 -62.3525 47.6534 11.4386 -14.9718 11.4387 -45.5931 GPRESSAVG: 1823000 -15.7974 -63.3605 -14.9745 -60.461 49.3379 10.3631 -12.7729 14.4814 -45.6012 TIMING: 1823000 CPU: 5444.1, 0.00298585/step Wall: 5444.1, 0.00298585/step, 2.63502 hours remaining, 206.917969 MB of memory in use. ENERGY: 1823000 719.4319 1999.9453 1945.9083 103.0240 -206478.5401 17733.9715 0.0000 0.0000 34227.7804 -149748.4788 298.9197 -183976.2592 -149654.2668 297.0616 -109.1768 -83.6141 558228.8210 -3.9589 -4.0202 PRESSURE: 1823200 -147.889 -75.8264 6.55955 -75.8263 -27.9939 5.01539 6.55934 5.0138 -109.322 GPRESSURE: 1823200 -71.8745 -119.906 -31.0348 -115.828 -20.1042 41.7612 13.4341 -111.696 -85.1952 PRESSAVG: 1823200 -4.00677 20.7215 -15.795 20.7214 11.589 36.9187 -15.795 36.9186 34.6136 GPRESSAVG: 1823200 -0.940902 20.5311 -17.6901 21.7044 9.27823 35.1846 -16.5197 34.7411 34.6387 TIMING: 1823200 CPU: 5444.7, 0.00298885/step Wall: 5444.7, 0.00298885/step, 2.63749 hours remaining, 206.917969 MB of memory in use. ENERGY: 1823200 728.1374 2070.7813 1947.9613 112.0415 -206357.7588 17839.8620 0.0000 0.0000 33928.8778 -149730.0974 296.3093 -183658.9752 -149631.6939 297.8270 -95.0680 -59.0580 559216.8904 14.0653 14.3253 PRESSURE: 1823400 -163.47 -53.6774 -25.742 -53.6771 -115.744 -42.2334 -25.7411 -42.234 16.6483 GPRESSURE: 1823400 -155.659 1.03951 -47.0077 -50.1532 -62.5164 -5.38261 -97.2251 -71.0918 50.7223 PRESSAVG: 1823400 -27.8703 -7.5056 -72.6502 -7.50562 -8.36963 -8.12269 -72.65 -8.12271 33.9356 GPRESSAVG: 1823400 -28.3851 -9.41972 -72.7751 -6.74105 -6.78741 -6.85318 -72.3909 -7.05896 33.1372 TIMING: 1823400 CPU: 5445.3, 0.00298544/step Wall: 5445.3, 0.00298544/step, 2.63432 hours remaining, 206.917969 MB of memory in use. ENERGY: 1823400 766.6621 2072.5247 1923.4413 110.8830 -206591.0918 18043.8058 0.0000 0.0000 33993.5285 -149680.2464 296.8739 -183673.7750 -149591.0070 297.3019 -87.5218 -55.8178 559148.2407 -0.7681 -0.6784 PRESSURE: 1823600 -183.194 -43.6166 66.406 -43.6168 123.658 68.0088 66.4066 68.0087 -174.225 GPRESSURE: 1823600 -195.231 -4.3709 55.0028 -96.139 164.874 93.14 74.0704 95.6749 -107.07 PRESSAVG: 1823600 9.97542 -12.0968 -22.9157 -12.0969 -5.02397 24.8464 -22.9156 24.8464 56.716 GPRESSAVG: 1823600 8.97561 -9.26507 -24.6732 -13.745 -5.33278 23.6888 -21.6354 24.0761 58.1164 TIMING: 1823600 CPU: 5445.9, 0.00298636/step Wall: 5445.9, 0.00298636/step, 2.63497 hours remaining, 206.917969 MB of memory in use. ENERGY: 1823600 736.6844 2054.8514 1928.5132 120.4507 -206366.1535 17661.2714 0.0000 0.0000 34167.8430 -149696.5394 298.3963 -183864.3824 -149592.7825 297.5367 -77.9205 -45.8087 557641.1014 20.5558 20.5864 PRESSURE: 1823800 19.8409 107.684 62.2903 107.684 -204.384 -94.7331 62.2901 -94.7326 9.81424 GPRESSURE: 1823800 54.3265 216.194 15.929 23.4472 -221.536 -59.7405 82.7073 -132.195 83.798 PRESSAVG: 1823800 24.8086 -14.9589 73.0948 -14.9589 -24.5842 1.46648 73.0947 1.46648 1.41206 GPRESSAVG: 1823800 24.6722 -16.5712 72.4491 -15.6202 -23.8933 1.2671 71.7672 0.711025 0.537614 TIMING: 1823800 CPU: 5446.49, 0.00297735/step Wall: 5446.49, 0.00297735/step, 2.62685 hours remaining, 206.917969 MB of memory in use. ENERGY: 1823800 730.3658 2089.2470 1908.0521 110.7794 -206393.0314 17967.2538 0.0000 0.0000 34040.4059 -149546.9274 297.2833 -183587.3334 -149449.1862 297.7180 -58.2431 -27.8037 558497.5215 0.5455 0.4388 PRESSURE: 1824000 41.9113 18.6031 -127.004 18.6031 315.691 -6.58009 -127.004 -6.5799 64.0824 GPRESSURE: 1824000 54.1998 -45.7457 -137.51 84.2041 371.794 -27.2681 -128.559 -21.7321 101.73 PRESSAVG: 1824000 3.96774 -8.71878 -33.042 -8.71892 -17.7118 -8.61566 -33.0421 -8.61556 50.992 GPRESSAVG: 1824000 3.9297 -9.67886 -31.2268 -8.8483 -17.1881 -9.76467 -34.0973 -7.86283 50.7672 TIMING: 1824000 CPU: 5447.09, 0.00298822/step Wall: 5447.09, 0.00298822/step, 2.63628 hours remaining, 206.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1824000 737.4448 2113.3622 1926.4467 118.2952 -206525.5808 18073.6176 0.0000 0.0000 34000.4859 -149555.9284 296.9347 -183556.4144 -149461.6104 298.3226 140.5617 175.9082 555552.0860 12.4160 12.5029 PRESSURE: 1824200 -359.383 98.4059 2.98105 98.4062 -160.872 -151.477 2.98152 -151.478 -163.956 GPRESSURE: 1824200 -404.195 102.424 33.2001 -20.5307 -83.8207 -43.5172 7.53035 -207.409 -101.564 PRESSAVG: 1824200 -43.9457 -14.1766 -13.1787 -14.1766 9.07477 -39.1866 -13.1787 -39.1866 17.1937 GPRESSAVG: 1824200 -42.427 -14.8856 -13.8724 -13.3661 7.98962 -37.4287 -10.2141 -40.0622 16.9638 TIMING: 1824200 CPU: 5447.68, 0.00297441/step Wall: 5447.68, 0.00297441/step, 2.62393 hours remaining, 206.917969 MB of memory in use. ENERGY: 1824200 736.5231 2089.4781 1907.9808 120.6259 -205510.7566 17282.9528 0.0000 0.0000 33794.4568 -149578.7391 295.1354 -183373.1959 -149486.1477 297.7746 -228.0704 -196.5265 557320.2427 -5.8924 -5.8245 LDB: ============= START OF LOAD BALANCING ============== 5451.23 LDB: ============== END OF LOAD BALANCING =============== 5451.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5451.23 LDB: ============= START OF LOAD BALANCING ============== 5451.53 LDB: Largest compute 4773 load 0.028990 is 24.5% of average load 0.118138 LDB: Average compute 0.001732 is 1.5% of average load 0.118138 LDB: TIME 5451.54 LOAD: AVG 0.118138 MAX 0.212274 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 5451.54 LOAD: AVG 0.118138 MAX 0.212274 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 5451.54 LOAD: AVG 0.118138 MAX 0.212274 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 5451.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5451.54 PRESSURE: 1824400 171.399 -49.8937 -51.6626 -49.8937 151.567 107.946 -51.6607 107.946 186.122 GPRESSURE: 1824400 246.62 -8.66512 -76.5579 -65.9325 173.688 127.688 -7.7374 101.51 195.703 PRESSAVG: 1824400 39.389 -45.3519 -48.9273 -45.3518 -7.9408 -11.1495 -48.9273 -11.1496 9.3309 GPRESSAVG: 1824400 39.1278 -46.377 -48.1948 -43.8319 -7.81557 -12.1801 -48.8559 -9.87384 9.57292 TIMING: 1824400 CPU: 5448.29, 0.00304923/step Wall: 5448.29, 0.00304923/step, 2.68976 hours remaining, 206.714844 MB of memory in use. ENERGY: 1824400 724.9453 2067.5390 1946.3207 107.2199 -206489.0982 17920.2710 0.0000 0.0000 34238.1573 -149484.6450 299.0103 -183722.8023 -149387.5394 297.5959 169.6958 205.3370 554747.1302 13.5930 13.6284 PRESSURE: 1824600 63.208 66.7806 -221.501 66.7812 -47.7863 50.3069 -221.501 50.3074 10.8811 GPRESSURE: 1824600 60.8851 28.0117 -274.356 151.628 -15.418 110.659 -225.952 30.2119 79.0511 PRESSAVG: 1824600 -2.00425 19.7476 -36.1064 19.7476 11.4144 -2.48539 -36.1063 -2.48543 -10.486 GPRESSAVG: 1824600 -2.84585 23.2479 -35.7404 17.2449 10.2992 -1.31025 -37.5618 -2.24027 -9.11816 TIMING: 1824600 CPU: 5448.89, 0.00300507/step Wall: 5448.89, 0.00300507/step, 2.65063 hours remaining, 206.714844 MB of memory in use. ENERGY: 1824600 709.2224 2080.5458 1918.1822 104.6721 -206052.6530 17646.1633 0.0000 0.0000 34070.0148 -149523.8524 297.5419 -183593.8672 -149432.7944 298.5236 8.7676 41.5060 555574.3925 -0.3586 -0.5549 PRESSURE: 1824800 -127.124 17.9712 29.2336 17.9712 -101.208 84.5824 29.2334 84.5839 -85.7778 GPRESSURE: 1824800 -149.894 65.8817 -26.1204 49.415 -102.991 140.917 18.1981 39.1146 19.9682 PRESSAVG: 1824800 -6.56267 6.40543 -14.5803 6.40547 31.7461 13.9942 -14.5804 13.9942 -4.54808 GPRESSAVG: 1824800 -7.41685 3.4079 -14.7296 8.13428 32.8838 13.5995 -13.8552 14.5119 -5.37684 TIMING: 1824800 CPU: 5449.49, 0.00298207/step Wall: 5449.49, 0.00298207/step, 2.63019 hours remaining, 206.714844 MB of memory in use. ENERGY: 1824800 755.5117 2044.6667 1941.9143 106.5052 -206300.9759 17603.9965 0.0000 0.0000 34251.8559 -149596.5256 299.1300 -183848.3816 -149498.7321 297.5900 -104.7035 -77.6388 556924.7860 6.8785 6.6967 PRESSURE: 1825000 -244.875 167.635 -1.50672 167.634 63.1509 167.185 -1.50634 167.184 -5.29047 GPRESSURE: 1825000 -193.786 237.427 2.338 173.736 92.2242 144.994 -100.927 186.773 26.7305 PRESSAVG: 1825000 -17.9733 9.73287 -42.5308 9.73282 -4.01552 37.6243 -42.5308 37.6244 33.7003 GPRESSAVG: 1825000 -17.6805 10.7036 -42.5984 11.3187 -3.74054 38.1651 -43.0096 36.4746 32.726 TIMING: 1825000 CPU: 5450.08, 0.00296972/step Wall: 5450.08, 0.00296972/step, 2.61913 hours remaining, 206.714844 MB of memory in use. ENERGY: 1825000 768.4292 2106.3816 1953.3212 114.8694 -206443.5798 17643.3184 0.0000 0.0000 34261.0388 -149596.2211 299.2102 -183857.2599 -149497.2160 297.9363 -62.3381 -24.9439 556212.5337 3.9039 3.7683 PRESSURE: 1825200 -10.994 -36.3037 50.5278 -36.3031 -74.497 -34.5929 50.5283 -34.5936 -212.354 GPRESSURE: 1825200 -11.3493 -20.5771 34.1328 -8.48067 -48.3207 -118.876 45.1002 -11.5005 -150.551 PRESSAVG: 1825200 52.0234 38.952 9.4459 38.9521 -12.2343 21.2475 9.44583 21.2474 -49.9418 GPRESSAVG: 1825200 53.6716 39.4149 10.1432 36.6244 -13.5065 19.5631 10.6005 22.7157 -50.3002 TIMING: 1825200 CPU: 5450.68, 0.00298661/step Wall: 5450.68, 0.00298661/step, 2.63386 hours remaining, 206.714844 MB of memory in use. ENERGY: 1825200 730.8127 2070.2455 1948.6155 117.3324 -206227.2212 17643.7129 0.0000 0.0000 34132.1520 -149584.3502 298.0846 -183716.5023 -149487.5372 298.6649 -99.2817 -70.0736 557793.6671 -3.3842 -3.3784 PRESSURE: 1825400 -86.3137 -121.938 169.072 -121.938 -344.382 -101.634 169.071 -101.633 43.9945 GPRESSURE: 1825400 -64.5984 -150.097 238.02 -145.09 -298.011 -100.274 161.767 -63.472 86.5902 PRESSAVG: 1825400 -19.0734 -41.0281 48.5752 -41.0281 -73.1341 -63.8519 48.5753 -63.852 47.5834 GPRESSAVG: 1825400 -19.3199 -42.9946 47.7984 -39.7838 -74.1166 -62.2045 49.4619 -64.5848 48.5812 TIMING: 1825400 CPU: 5451.28, 0.00299275/step Wall: 5451.28, 0.00299275/step, 2.6391 hours remaining, 206.714844 MB of memory in use. ENERGY: 1825400 757.8789 2075.2227 1927.5841 115.0503 -206271.0488 17761.4960 0.0000 0.0000 34091.8137 -149542.0031 297.7323 -183633.8168 -149438.1656 297.7248 -128.9005 -92.0063 558076.2568 -14.8747 -14.9518 PRESSURE: 1825600 173.879 155.658 27.7969 155.658 -334.649 -24.7522 27.7962 -24.7524 -80.4171 GPRESSURE: 1825600 216.389 137.704 37.532 229.8 -240.527 -144.481 -7.45018 18.6719 -112.864 PRESSAVG: 1825600 57.8127 0.0354157 35.3265 0.0354165 -76.5596 -16.0974 35.3265 -16.0975 5.5468 GPRESSAVG: 1825600 57.163 2.22157 34.9847 0.473217 -74.7675 -18.3092 34.4549 -16.6807 4.70242 TIMING: 1825600 CPU: 5451.87, 0.00296406/step Wall: 5451.87, 0.00296406/step, 2.61364 hours remaining, 206.714844 MB of memory in use. ENERGY: 1825600 749.2850 2122.4379 1917.6870 111.5788 -206353.5431 17741.9645 0.0000 0.0000 34189.4582 -149521.1317 298.5850 -183710.5899 -149425.7453 298.8725 -80.3956 -45.6673 556259.3120 -4.4000 -4.3007 PRESSURE: 1825800 32.9015 179.154 15.934 179.154 125.974 -36.1736 15.9342 -36.1734 -21.8451 GPRESSURE: 1825800 102.313 71.2865 -155.384 181.845 123.548 -10.7582 68.8269 40.3796 -0.820215 PRESSAVG: 1825800 -24.4427 -52.2464 24.1769 -52.2464 37.9087 35.2607 24.1768 35.2606 54.9536 GPRESSAVG: 1825800 -24.2442 -55.514 24.3559 -51.6402 37.3494 37.5931 24.7097 36.2318 55.284 TIMING: 1825800 CPU: 5452.47, 0.00297803/step Wall: 5452.47, 0.00297802/step, 2.62579 hours remaining, 206.714844 MB of memory in use. ENERGY: 1825800 714.9893 2123.1197 1935.9380 105.8987 -206449.0026 17853.5688 0.0000 0.0000 34143.6211 -149571.8670 298.1847 -183715.4881 -149472.0415 298.9318 45.6766 75.0135 557218.4738 22.8065 22.7964 PRESSURE: 1826000 -35.1586 -1.25417 9.33203 -1.25364 -83.0767 -120.704 9.33155 -120.705 -44.1122 GPRESSURE: 1826000 13.8078 7.6444 15.2322 -31.0021 8.7441 -33.2057 29.6461 -148.104 -84.1213 PRESSAVG: 1826000 -8.92382 39.5 -13.5478 39.5 13.9711 38.157 -13.5478 38.157 -9.33014 GPRESSAVG: 1826000 -9.68122 42.3945 -14.0791 35.9298 15.3673 37.9758 -13.9315 35.626 -9.84067 TIMING: 1826000 CPU: 5453.06, 0.00297809/step Wall: 5453.06, 0.00297809/step, 2.62568 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1826000 731.8112 2144.7736 1934.9797 125.6230 -206392.6476 17734.3136 0.0000 0.0000 34265.7554 -149455.3910 299.2514 -183721.1464 -149351.7639 298.5728 -54.1158 -20.5231 556573.5400 -1.4276 -1.3849 PRESSURE: 1826200 -93.8178 -52.1439 -12.6713 -52.1436 -54.8849 -0.700194 -12.6714 -0.699905 -129.888 GPRESSURE: 1826200 -46.6452 -44.1641 15.6434 -42.9602 -67.8829 -75.5368 41.2461 112.263 -61.0975 PRESSAVG: 1826200 -9.19364 -40.4293 52.3435 -40.4294 27.6764 16.012 52.3436 16.0121 30.9921 GPRESSAVG: 1826200 -8.22565 -41.2869 53.2569 -39.5781 26.9668 16.6816 52.9008 16.4571 31.0798 TIMING: 1826200 CPU: 5453.66, 0.00299309/step Wall: 5453.66, 0.00299309/step, 2.63875 hours remaining, 206.714844 MB of memory in use. ENERGY: 1826200 760.9219 2100.7056 1919.6779 116.4172 -206288.3128 17652.9548 0.0000 0.0000 34218.8418 -149518.7936 298.8417 -183737.6355 -149425.5012 298.7354 -92.8637 -58.5419 558032.6263 16.4916 16.6070 PRESSURE: 1826400 -196.753 -83.5023 -148.955 -83.504 238.726 79.3113 -148.956 79.3122 -219.313 GPRESSURE: 1826400 -133.093 -168.205 -189.162 -88.8925 210.667 62.8321 -94.2085 19.5301 -148.757 PRESSAVG: 1826400 -28.8037 -5.31972 -4.07288 -5.31971 4.2799 -3.33273 -4.07302 -3.33264 27.1502 GPRESSAVG: 1826400 -28.8717 -4.83418 -3.40033 -6.69622 4.46241 -4.81948 -5.87697 -0.820809 26.9947 TIMING: 1826400 CPU: 5454.26, 0.00297191/step Wall: 5454.26, 0.00297191/step, 2.6199 hours remaining, 206.714844 MB of memory in use. ENERGY: 1826400 753.7443 2043.1294 1943.2892 119.6257 -206149.7857 17655.2745 0.0000 0.0000 34389.5008 -149245.2217 300.3321 -183634.7226 -149151.2528 298.7400 -59.1135 -23.7277 558658.1072 0.8755 0.8618 PRESSURE: 1826600 -205.778 -95.8029 -43.7826 -95.8017 -61.4096 3.95931 -43.7834 3.95987 -68.0966 GPRESSURE: 1826600 -127.127 -127.034 -31.0398 -35.8548 -21.1087 22.9389 -85.3168 42.8892 -82.116 PRESSAVG: 1826600 -16.2983 -5.16481 9.63707 -5.16482 33.6841 9.60044 9.63691 9.60051 -9.99845 GPRESSAVG: 1826600 -17.072 -5.74407 7.6916 -5.328 33.6456 11.2261 10.0105 6.56761 -9.2594 TIMING: 1826600 CPU: 5454.85, 0.00296488/step Wall: 5454.85, 0.00296488/step, 2.61354 hours remaining, 206.714844 MB of memory in use. ENERGY: 1826600 743.8792 2095.0655 1946.4444 103.9058 -205844.1720 17593.7982 0.0000 0.0000 34300.7452 -149060.3337 299.5569 -183361.0789 -148959.1258 299.2189 -111.7613 -76.7838 559035.1806 2.4624 2.4381 PRESSURE: 1826800 -73.7006 -154.917 67.8312 -154.918 -221.107 -106.776 67.8307 -106.777 -121.866 GPRESSURE: 1826800 3.4818 -170.541 12.3636 -175.858 -200.005 -98.8802 38.5774 -190.825 -124.815 PRESSAVG: 1826800 19.4907 -79.9379 34.69 -79.938 31.7935 -10.5349 34.69 -10.535 -26.0992 GPRESSAVG: 1826800 20.4032 -79.7645 35.8037 -77.2362 31.6282 -11.827 34.983 -10.2439 -26.4437 TIMING: 1826800 CPU: 5455.44, 0.00296362/step Wall: 5455.44, 0.00296361/step, 2.61226 hours remaining, 206.714844 MB of memory in use. ENERGY: 1826800 779.2114 2105.8243 1945.0107 108.1635 -205965.6256 17724.1642 0.0000 0.0000 34304.7934 -148998.4582 299.5923 -183303.2516 -148905.1752 299.7816 -138.8912 -107.1127 558542.1594 8.3950 8.5292 PRESSURE: 1827000 -173.72 139.999 151.394 139.997 139.381 33.2212 151.394 33.2219 54.0289 GPRESSURE: 1827000 -167.036 179.691 196.458 91.9427 105.705 56.8986 111.255 -0.652066 180.253 PRESSAVG: 1827000 6.67188 -38.2297 25.3251 -38.2297 4.49685 -81.9111 25.3251 -81.9111 -22.0756 GPRESSAVG: 1827000 6.84717 -37.475 24.9078 -38.3781 4.40596 -84.1486 25.9359 -80.8501 -22.3404 TIMING: 1827000 CPU: 5456.05, 0.00305091/step Wall: 5456.05, 0.00305091/step, 2.68904 hours remaining, 206.714844 MB of memory in use. ENERGY: 1827000 775.8618 2045.6274 1950.3284 112.4473 -206147.1962 17876.8242 0.0000 0.0000 34336.2497 -149049.8574 299.8670 -183386.1071 -148953.2928 300.1295 6.5634 39.6406 557093.1392 -3.6356 -3.6958 PRESSURE: 1827200 -361.546 175.81 31.2489 175.81 58.4523 3.6973 31.2486 3.69637 -261.518 GPRESSURE: 1827200 -306.818 185.58 71.8264 119.483 64.4721 42.8402 57.785 -85.6476 -221.103 PRESSAVG: 1827200 -22.4785 26.0236 21.4867 26.0236 44.6727 -6.12084 21.4868 -6.12079 22.2516 GPRESSAVG: 1827200 -23.4296 25.4412 22.3635 25.5745 44.0871 -3.04055 21.9575 -6.83768 23.3969 TIMING: 1827200 CPU: 5456.65, 0.00297394/step Wall: 5456.65, 0.00297394/step, 2.62103 hours remaining, 206.714844 MB of memory in use. ENERGY: 1827200 754.7856 2078.3377 1927.3934 110.2061 -205752.6142 17567.3970 0.0000 0.0000 34071.4594 -149243.0349 297.5545 -183314.4944 -149155.3233 299.4448 -188.2038 -154.4828 558588.8009 14.8153 14.6848 PRESSURE: 1827400 -105.418 42.4911 169.707 42.4901 -253.064 136.028 169.706 136.029 91.9646 GPRESSURE: 1827400 -53.5602 -33.8979 150.038 50.9034 -196.326 152.247 165.744 105.821 85.4248 PRESSAVG: 1827400 19.3045 22.4073 15.0738 22.4073 26.4217 22.9455 15.0738 22.9455 -15.1914 GPRESSAVG: 1827400 19.5904 23.3775 15.7507 22.6905 27.3614 21.3343 13.149 23.1911 -16.7012 TIMING: 1827400 CPU: 5457.24, 0.00296914/step Wall: 5457.24, 0.00296914/step, 2.61664 hours remaining, 206.714844 MB of memory in use. ENERGY: 1827400 740.9735 2106.3010 1935.0135 102.3579 -206131.2059 17741.5526 0.0000 0.0000 34003.2529 -149501.7545 296.9589 -183505.0074 -149407.9521 299.1962 -88.8390 -54.8204 558355.1398 10.1783 10.0836 PRESSURE: 1827600 -85.825 -108.928 74.5265 -108.928 -100.067 -129.036 74.526 -129.037 -94.0968 GPRESSURE: 1827600 -43.9892 -40.9646 109.935 -171.872 -88.4921 -91.4337 83.2516 -146.274 -42.816 PRESSAVG: 1827600 19.9331 0.458329 -10.5835 0.458357 -62.0047 -3.95921 -10.5835 -3.95932 -14.9546 GPRESSAVG: 1827600 19.2144 -0.733004 -9.04753 0.385541 -61.6235 -4.6216 -11.6193 -2.78361 -14.4736 TIMING: 1827600 CPU: 5457.84, 0.00297076/step Wall: 5457.84, 0.00297076/step, 2.6179 hours remaining, 206.714844 MB of memory in use. ENERGY: 1827600 715.7469 2100.9853 1931.9496 98.1322 -206101.3266 17703.5675 0.0000 0.0000 34331.5523 -149219.3928 299.8260 -183550.9451 -149117.7426 298.8426 -93.3296 -58.4324 558161.5867 -19.0087 -18.9609 PRESSURE: 1827800 -204.75 -110.574 -85.9131 -110.572 -255.944 69.569 -85.9134 69.5697 -272.156 GPRESSURE: 1827800 -188.997 -53.9058 -132 -245.939 -231.054 32.1072 -66.9341 107.796 -230.611 PRESSAVG: 1827800 53.329 -5.69526 -18.9908 -5.69527 -39.0351 40.208 -18.9908 40.208 -18.7289 GPRESSAVG: 1827800 52.6794 -3.98282 -22.5889 -7.72076 -38.7876 41.1224 -16.8053 41.3673 -18.7339 TIMING: 1827800 CPU: 5458.44, 0.00301616/step Wall: 5458.44, 0.00301616/step, 2.65774 hours remaining, 206.714844 MB of memory in use. ENERGY: 1827800 703.1036 2155.7725 1900.7141 114.8265 -205525.0299 17364.2585 0.0000 0.0000 34186.8496 -149099.5051 298.5623 -183286.3547 -149003.2315 299.5486 -244.2830 -216.8876 559783.2772 -1.4783 -1.6140 PRESSURE: 1828000 245.512 79.7224 -126.653 79.7219 -83.9523 -17.9711 -126.655 -17.9708 63.3567 GPRESSURE: 1828000 256.069 -32.8852 -163.01 151.973 -85.6257 -84.8521 -104.369 5.70185 151.947 PRESSAVG: 1828000 48.286 -17.5479 -5.46092 -17.5479 -20.8505 -4.32473 -5.461 -4.32481 40.257 GPRESSAVG: 1828000 48.4823 -18.8955 -4.61778 -14.118 -21.9382 -5.87699 -3.69286 -5.14033 41.159 TIMING: 1828000 CPU: 5459.03, 0.00296529/step Wall: 5459.03, 0.00296529/step, 2.61275 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1828000 769.9172 2057.1379 1921.5403 113.6641 -206247.8403 17956.9590 0.0000 0.0000 34368.6683 -149059.9535 300.1501 -183428.6218 -148963.3291 299.6485 74.9721 107.4634 558168.5456 22.5641 22.5677 PRESSURE: 1828200 -168.305 75.2297 100.736 75.2294 -244.523 -191.334 100.735 -191.336 -160.486 GPRESSURE: 1828200 -156.034 46.466 85.8336 78.4843 -237.829 -226.527 179.939 -166.648 -82.8624 PRESSAVG: 1828200 -46.4334 28.4114 1.84728 28.4114 10.7896 -0.963488 1.84737 -0.963653 23.5095 GPRESSAVG: 1828200 -45.4918 27.6474 1.88315 27.7945 11.4764 -0.442269 0.745659 -1.91565 21.8343 TIMING: 1828200 CPU: 5459.63, 0.00299345/step Wall: 5459.63, 0.00299345/step, 2.63739 hours remaining, 206.714844 MB of memory in use. ENERGY: 1828200 806.6066 2066.4063 1931.3448 108.0118 -205769.4903 17678.6463 0.0000 0.0000 34280.5494 -148897.9252 299.3806 -183178.4746 -148806.0816 299.6324 -191.1047 -158.9084 558674.9423 -4.0448 -4.0604 LDB: ============= START OF LOAD BALANCING ============== 5463.18 LDB: ============== END OF LOAD BALANCING =============== 5463.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5463.18 LDB: ============= START OF LOAD BALANCING ============== 5463.48 LDB: Largest compute 4773 load 0.029817 is 25.2% of average load 0.118182 LDB: Average compute 0.001732 is 1.5% of average load 0.118182 LDB: TIME 5463.48 LOAD: AVG 0.118182 MAX 0.213329 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.996 MB LDB: TIME 5463.49 LOAD: AVG 0.118182 MAX 0.213329 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.199 MB LDB: TIME 5463.49 LOAD: AVG 0.118182 MAX 0.213329 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.199 MB LDB: ============== END OF LOAD BALANCING =============== 5463.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5463.49 PRESSURE: 1828400 -153.893 -69.3226 -121.267 -69.3233 34.6253 -99.3393 -121.266 -99.3381 -184.597 GPRESSURE: 1828400 -79.5558 -18.1684 -106.408 -80.2188 25.3091 -56.2135 -60.7366 -92.8932 -147.02 PRESSAVG: 1828400 -16.1905 13.4978 10.3499 13.4979 13.3715 -8.15661 10.35 -8.15651 13.32 GPRESSAVG: 1828400 -15.1831 12.9435 12.1628 14.1844 12.8119 -5.51291 9.66237 -7.54076 13.4292 TIMING: 1828400 CPU: 5460.24, 0.00305081/step Wall: 5460.24, 0.00305081/step, 2.68776 hours remaining, 207.027344 MB of memory in use. ENERGY: 1828400 747.6419 2069.1345 1944.3513 118.0496 -206059.7963 17793.5933 0.0000 0.0000 34512.3778 -148874.6478 301.4052 -183387.0256 -148776.4353 300.3564 -101.2884 -67.0889 558713.4755 3.5003 3.6860 PRESSURE: 1828600 135.572 245.001 -7.29301 245.002 96.7911 5.97392 -7.29323 5.97555 9.48083 GPRESSURE: 1828600 195.272 316.606 -13.4657 134.068 114.579 -60.2074 -68.4603 89.0716 31.7058 PRESSAVG: 1828600 24.4159 -12.0859 -28.5912 -12.0859 -24.355 -3.97383 -28.5912 -3.97395 -1.82266 GPRESSAVG: 1828600 24.4879 -11.2808 -29.5431 -14.103 -24.0614 -5.55543 -30.2079 -4.73634 -2.52906 TIMING: 1828600 CPU: 5460.85, 0.00303518/step Wall: 5460.85, 0.00303518/step, 2.67382 hours remaining, 207.226562 MB of memory in use. ENERGY: 1828600 750.5399 2089.6093 1948.4754 112.4218 -205991.9180 17957.7721 0.0000 0.0000 34388.4430 -148744.6564 300.3228 -183133.0994 -148650.5757 300.7537 80.6146 113.8523 558917.3314 -0.5873 -0.7009 PRESSURE: 1828800 -25.5715 105.782 -117.475 105.781 73.5462 -25.9013 -117.476 -25.9009 -202.512 GPRESSURE: 1828800 12.2327 124.532 -32.9029 72.4927 102.687 -107.427 -106.333 3.04046 -153.123 PRESSAVG: 1828800 29.8044 -17.2111 -14.1503 -17.2111 3.83283 -24.3873 -14.1503 -24.3873 -53.8685 GPRESSAVG: 1828800 29.7603 -14.6886 -13.2262 -16.1241 4.46352 -21.2393 -13.7497 -25.3622 -54.4257 TIMING: 1828800 CPU: 5461.45, 0.00301766/step Wall: 5461.45, 0.00301766/step, 2.65822 hours remaining, 207.226562 MB of memory in use. ENERGY: 1828800 798.5557 2118.8472 1909.8957 105.0755 -206140.5399 17787.7997 0.0000 0.0000 34679.4174 -148740.9488 302.8640 -183420.3662 -148646.3606 301.1466 -51.5125 -12.7345 558380.9736 -6.7437 -6.7339 PRESSURE: 1829000 278.606 55.7501 36.3195 55.7505 169.913 72.1457 36.3184 72.1464 34.1099 GPRESSURE: 1829000 311.563 93.6624 16.4523 19.6262 206.271 44.2326 96.4549 43.0353 64.3921 PRESSAVG: 1829000 42.4679 73.9602 -12.8415 73.9602 -15.6896 20.4749 -12.8415 20.4749 -18.4071 GPRESSAVG: 1829000 41.6822 71.889 -15.6867 74.0623 -15.8259 19.034 -10.0385 21.1041 -17.8182 TIMING: 1829000 CPU: 5462.06, 0.00301659/step Wall: 5462.06, 0.00301659/step, 2.65711 hours remaining, 207.226562 MB of memory in use. ENERGY: 1829000 757.0394 2066.5988 1928.1145 111.1545 -206388.1908 18063.8686 0.0000 0.0000 34540.2133 -148921.2017 301.6483 -183461.4151 -148821.9596 300.9183 160.8764 194.0753 558253.5167 2.7904 2.6794 PRESSURE: 1829200 -235.924 27.1762 6.01417 27.1763 -188.269 102.014 6.01474 102.014 53.8541 GPRESSURE: 1829200 -190.68 22.6441 -10.692 -43.3408 -139.761 119.545 -10.5437 29.3994 54.3476 PRESSAVG: 1829200 59.9873 -3.09358 -39.9184 -3.09365 -41.1268 31.8958 -39.9184 31.8958 -28.0982 GPRESSAVG: 1829200 58.9902 -2.8477 -38.7289 -4.23902 -40.2337 33.5393 -40.9497 31.2571 -27.6157 TIMING: 1829200 CPU: 5462.66, 0.00302554/step Wall: 5462.66, 0.00302554/step, 2.66483 hours remaining, 207.226562 MB of memory in use. ENERGY: 1829200 768.6968 2186.2460 1919.2679 97.4241 -205480.2302 17505.5145 0.0000 0.0000 34297.6859 -148705.3949 299.5302 -183003.0808 -148605.5243 300.7410 -123.4460 -92.0314 558771.7484 -3.0792 -2.9531 PRESSURE: 1829400 -28.6511 172.114 -80.8956 172.114 35.3916 -53.3221 -80.8953 -53.3218 37.4341 GPRESSURE: 1829400 2.26463 157.558 34.7388 136.585 52.4479 -109.791 -125.356 -3.28647 93.9082 PRESSAVG: 1829400 44.3079 57.408 22.8376 57.408 -59.6898 -7.81482 22.8376 -7.81472 8.25443 GPRESSAVG: 1829400 45.8934 56.5949 23.1287 58.1501 -59.8973 -9.65881 21.7616 -7.90103 7.21584 TIMING: 1829400 CPU: 5463.25, 0.0029562/step Wall: 5463.25, 0.0029562/step, 2.60359 hours remaining, 207.226562 MB of memory in use. ENERGY: 1829400 765.5288 2138.4778 1956.3148 104.8661 -205968.0433 17856.0925 0.0000 0.0000 34291.0234 -148855.7399 299.4720 -183146.7633 -148763.4436 300.3792 14.7249 49.5402 558966.2354 -2.3758 -2.2627 PRESSURE: 1829600 158.658 -81.0278 44.1371 -81.0284 18.8926 3.59867 44.1366 3.59891 247.599 GPRESSURE: 1829600 242.921 -9.56899 150.686 -78.3716 35.3031 4.88042 76.7273 -83.7403 256.084 PRESSAVG: 1829600 -45.8175 80.8989 -16.6905 80.8989 24.6049 -5.10385 -16.6905 -5.10386 8.69732 GPRESSAVG: 1829600 -45.4987 82.0163 -15.6448 80.2155 23.4505 -4.70417 -15.5191 -4.72505 10.0337 TIMING: 1829600 CPU: 5463.84, 0.00295111/step Wall: 5463.84, 0.00295111/step, 2.59895 hours remaining, 207.226562 MB of memory in use. ENERGY: 1829600 733.9854 2101.2244 1928.1086 114.8006 -206358.7890 18039.7944 0.0000 0.0000 34443.5029 -148997.3727 300.8037 -183440.8756 -148907.8916 300.2398 141.7165 178.1025 558289.8093 -4.1717 -4.0048 PRESSURE: 1829800 90.5652 74.8847 -94.1133 74.8848 -108.966 -163.073 -94.1152 -163.072 -77.1009 GPRESSURE: 1829800 147.289 10.2498 -21.1512 95.1116 -112.1 -248.123 -59.9828 -103.154 -31.5369 PRESSAVG: 1829800 59.0978 -48.0247 9.67185 -48.0248 -78.6763 -12.7296 9.6718 -12.7296 3.69968 GPRESSAVG: 1829800 58.0391 -50.1408 7.18592 -48.8269 -77.6513 -13.3738 10.0286 -12.8131 4.02869 TIMING: 1829800 CPU: 5464.44, 0.00298018/step Wall: 5464.44, 0.00298018/step, 2.62438 hours remaining, 207.226562 MB of memory in use. ENERGY: 1829800 716.3745 2130.9864 1948.9956 128.8570 -205812.6465 17654.7096 0.0000 0.0000 34322.2270 -148910.4965 299.7445 -183232.7235 -148812.3670 299.5751 -31.8340 1.2174 557959.7422 -5.2929 -5.1945 PRESSURE: 1830000 106.495 -190.922 -83.1169 -190.921 -30.3003 -174.17 -83.1171 -174.169 -33.0422 GPRESSURE: 1830000 133.273 -162.978 -112.547 -264.509 20.2823 -137.611 -42.3657 -216.962 -25.8028 PRESSAVG: 1830000 4.98093 -48.5592 29.2708 -48.5592 -64.3365 -76.035 29.2707 -76.0348 49.4412 GPRESSAVG: 1830000 4.80852 -44.8141 31.0167 -49.1116 -63.9223 -76.0947 25.9145 -77.1553 49.5468 TIMING: 1830000 CPU: 5465.03, 0.00295052/step Wall: 5465.03, 0.00295052/step, 2.5981 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1830000 732.3935 2103.7770 1926.6965 119.6988 -206296.6938 17929.7786 0.0000 0.0000 34447.6620 -149036.6874 300.8400 -183484.3494 -148935.4144 299.7651 14.3841 42.5841 558177.0786 -3.3048 -3.1890 PRESSURE: 1830200 276.006 -147.232 60.2368 -147.232 55.5579 -90.3979 60.237 -90.3999 5.41683 GPRESSURE: 1830200 319.807 -130.03 91.2775 -163.146 23.7816 -57.7318 71.6079 -141.448 99.8231 PRESSAVG: 1830200 101.953 -26.4783 21.6045 -26.4782 -80.3622 12.4212 21.6046 12.4212 -30.3369 GPRESSAVG: 1830200 102.831 -28.7995 20.7987 -26.4083 -81.3015 12.7393 22.7474 13.7942 -30.1233 TIMING: 1830200 CPU: 5465.62, 0.00297745/step Wall: 5465.62, 0.00297745/step, 2.62164 hours remaining, 207.226562 MB of memory in use. ENERGY: 1830200 737.4110 2090.7512 1927.2801 94.4158 -206119.1552 17924.6305 0.0000 0.0000 34467.2816 -148877.3848 301.0113 -183344.6665 -148780.9574 300.3095 112.3269 147.8037 558205.9997 -2.9152 -2.8645 PRESSURE: 1830400 276.613 -178.771 30.3237 -178.769 -127.938 6.53345 30.3253 6.53294 25.4227 GPRESSURE: 1830400 331.602 -128.498 39.6083 -163.879 -63.6711 103.431 22.7825 54.7371 4.01921 PRESSAVG: 1830400 73.7221 -42.4524 -1.87505 -42.4524 -21.966 -51.0504 -1.875 -51.0503 -33.7193 GPRESSAVG: 1830400 73.4774 -42.6899 -2.40565 -41.6691 -20.6619 -49.4871 -0.659891 -51.111 -34.7622 TIMING: 1830400 CPU: 5466.22, 0.00299311/step Wall: 5466.22, 0.00299311/step, 2.63527 hours remaining, 207.226562 MB of memory in use. ENERGY: 1830400 732.5498 2075.9224 1946.9424 119.9284 -206055.1620 17862.0808 0.0000 0.0000 34439.1488 -148878.5892 300.7657 -183317.7381 -148779.2252 300.4741 58.0325 90.6501 558656.4750 6.0123 6.0178 PRESSURE: 1830600 -144.049 2.08159 -196.16 2.08206 -330.666 -7.83347 -196.159 -7.8339 -69.0066 GPRESSURE: 1830600 -93.5777 -62.7612 -154.741 116.573 -280.628 17.5216 -198.625 34.6689 -61.219 PRESSAVG: 1830600 75.3469 -24.464 2.66866 -24.464 -55.6831 -3.30802 2.66866 -3.3081 15.0289 GPRESSAVG: 1830600 75.4385 -23.1202 2.13142 -24.8868 -57.2215 -6.73832 2.03957 -2.28404 16.564 TIMING: 1830600 CPU: 5466.83, 0.00301546/step Wall: 5466.83, 0.00301546/step, 2.65478 hours remaining, 207.226562 MB of memory in use. ENERGY: 1830600 758.3036 2102.0317 1928.3967 116.7130 -205579.1030 17498.8314 0.0000 0.0000 34178.4665 -148996.3600 298.4890 -183174.8265 -148901.5610 299.4940 -181.2407 -145.1414 558595.3521 11.5642 11.5937 PRESSURE: 1830800 -381.821 62.3888 -75.5031 62.3884 -89.3723 26.184 -75.5044 26.1844 -253.039 GPRESSURE: 1830800 -392.16 30.961 -98.2033 71.6954 -22.9036 20.7989 -78.749 56.9062 -212.683 PRESSAVG: 1830800 6.3508 44.3094 -8.23538 44.3094 -22.4902 24.6895 -8.23551 24.6895 15.1275 GPRESSAVG: 1830800 4.95161 41.3275 -6.00021 46.5125 -21.033 25.5431 -8.97839 22.9407 14.6625 TIMING: 1830800 CPU: 5467.43, 0.00300106/step Wall: 5467.43, 0.00300106/step, 2.64194 hours remaining, 207.226562 MB of memory in use. ENERGY: 1830800 761.8751 2122.4697 1934.4526 106.8096 -205511.6753 17325.8516 0.0000 0.0000 34262.5644 -148997.6523 299.2235 -183260.2167 -148901.8646 299.5721 -241.4108 -209.2487 557738.6037 -0.3373 -0.4730 PRESSURE: 1831000 49.1394 147.491 -107.558 147.492 -145.439 71.1867 -107.558 71.1847 219.569 GPRESSURE: 1831000 49.946 58.4667 -88.7614 130.398 -140.703 63.1565 -191.388 70.7908 312.166 PRESSAVG: 1831000 20.3685 1.79904 6.23445 1.79906 -5.89368 0.798863 6.23439 0.798865 25.4657 GPRESSAVG: 1831000 22.1433 1.65487 8.18071 0.407909 -6.85117 0.598086 7.10676 1.80568 24.6314 TIMING: 1831000 CPU: 5468.02, 0.00298878/step Wall: 5468.02, 0.00298878/step, 2.63096 hours remaining, 207.226562 MB of memory in use. ENERGY: 1831000 700.2566 2128.1673 1943.7895 115.3424 -206062.5267 17781.0406 0.0000 0.0000 34510.4114 -148883.5188 301.3880 -183393.9302 -148789.4087 300.1111 41.0896 73.8031 555957.5907 13.3135 13.3079 PRESSURE: 1831200 -185.856 37.7077 -91.6218 37.7054 -52.0418 13.5095 -91.6226 13.5102 -168.203 GPRESSURE: 1831200 -119.688 -78.0702 -91.4784 142.768 -71.3776 -71.8145 -123.322 7.13506 -125.907 PRESSAVG: 1831200 -18.9294 49.715 -25.6455 49.7149 -37.2237 26.1862 -25.6456 26.1862 51.8004 GPRESSAVG: 1831200 -19.6033 49.8119 -28.3763 48.6664 -37.1167 25.9759 -24.4423 27.2887 52.5059 TIMING: 1831200 CPU: 5468.62, 0.00296697/step Wall: 5468.62, 0.00296697/step, 2.61159 hours remaining, 207.226562 MB of memory in use. ENERGY: 1831200 739.3775 2159.0124 1920.7280 105.8654 -205826.4140 17636.4514 0.0000 0.0000 34424.8744 -148840.1049 300.6410 -183264.9793 -148736.9565 300.6293 -135.3667 -105.6577 559111.8151 -1.4509 -1.4047 PRESSURE: 1831400 -133.343 -34.7083 17.6096 -34.7081 16.0009 12.1357 17.6094 12.1364 56.9657 GPRESSURE: 1831400 -67.9943 -22.1095 -3.08278 36.8594 22.1388 42.2122 37.9489 0.958226 86.0824 PRESSAVG: 1831400 -13.68 0.489266 8.13716 0.489215 -34.1729 37.9949 8.13721 37.9949 63.0276 GPRESSAVG: 1831400 -13.7235 0.377555 8.97175 2.22677 -33.3522 37.9205 5.2288 36.9589 62.1358 TIMING: 1831400 CPU: 5469.21, 0.00295251/step Wall: 5469.21, 0.00295251/step, 2.5987 hours remaining, 207.226562 MB of memory in use. ENERGY: 1831400 753.4885 2081.8949 1915.8043 120.2620 -205688.2329 17546.0337 0.0000 0.0000 34288.2238 -148982.5257 299.4476 -183270.7495 -148881.7028 300.3841 -20.1255 13.4090 556694.7432 5.0582 5.0200 PRESSURE: 1831600 -183.996 245.817 28.3186 245.818 -19.8183 239.015 28.3181 239.016 130.64 GPRESSURE: 1831600 -183.539 230.751 67.3855 253.526 84.5992 193.304 -29.4889 305.657 112.749 PRESSAVG: 1831600 -23.1832 12.0232 -28.6111 12.0234 -0.351565 -6.39286 -28.6112 -6.39283 -3.10535 GPRESSAVG: 1831600 -22.8359 12.1264 -29.3405 10.7464 -1.31524 -6.30074 -28.259 -7.60604 -3.00791 TIMING: 1831600 CPU: 5469.8, 0.00297479/step Wall: 5469.8, 0.00297479/step, 2.61815 hours remaining, 207.226562 MB of memory in use. ENERGY: 1831600 734.0543 2119.5392 1918.2436 104.3933 -206150.1424 17910.4321 0.0000 0.0000 34234.4345 -149129.0454 298.9778 -183363.4799 -149028.5578 299.4278 -24.3915 4.6030 556046.1692 -8.8800 -9.0530 PRESSURE: 1831800 187.546 -83.1862 -74.8049 -83.1849 83.0118 -104.788 -74.8052 -104.788 198.44 GPRESSURE: 1831800 161.495 -49.6814 -40.7842 -164.27 162.344 -129.447 -88.7038 -153.243 232.857 PRESSAVG: 1831800 16.6565 23.517 -6.03819 23.517 -48.331 8.38165 -6.03818 8.38171 47.9753 GPRESSAVG: 1831800 17.3156 23.7205 -5.59257 24.7868 -49.1305 7.93756 -3.78431 8.09841 48.1857 TIMING: 1831800 CPU: 5470.4, 0.00299742/step Wall: 5470.4, 0.00299742/step, 2.63789 hours remaining, 207.226562 MB of memory in use. ENERGY: 1831800 747.9928 2075.2643 1955.8135 106.1696 -206756.2879 18043.5592 0.0000 0.0000 34668.3148 -149159.1737 302.7670 -183827.4885 -149066.2643 299.7381 156.3328 185.5653 555094.6924 5.4336 5.4570 PRESSURE: 1832000 164.959 -193.682 -0.766261 -193.681 -110.389 -25.0322 -0.767386 -25.0313 324.555 GPRESSURE: 1832000 202.133 -144.608 -35.1807 -192.76 -91.1765 17.4319 42.1346 -41.8031 366.246 PRESSAVG: 1832000 21.5196 -7.69127 -2.00015 -7.69125 36.24 -51.7861 -2.00019 -51.7861 -12.3296 GPRESSAVG: 1832000 19.7981 -5.95213 -3.88931 -10.4143 38.0081 -52.4267 -2.38944 -50.7433 -12.2297 TIMING: 1832000 CPU: 5471, 0.0030155/step Wall: 5471, 0.0030155/step, 2.65364 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1832000 760.6262 2093.9474 1901.7357 112.9201 -206623.3039 18222.2236 0.0000 0.0000 34383.4571 -149148.3939 300.2793 -183531.8510 -149061.6815 299.3363 126.3750 159.0675 557603.0731 15.1433 15.1922 PRESSURE: 1832200 -262.004 -109.11 280.045 -109.111 -248.367 50.564 280.045 50.5627 45.2508 GPRESSURE: 1832200 -242.936 -85.6845 177.08 -73.3496 -212.025 81.2581 215.426 46.5781 78.3071 PRESSAVG: 1832200 -24.7407 41.1847 -2.71076 41.1847 25.2249 -31.4148 -2.71072 -31.4147 23.3065 GPRESSAVG: 1832200 -23.6184 40.0346 -2.1862 42.6497 24.5861 -30.2946 -2.54095 -31.2207 22.4675 TIMING: 1832200 CPU: 5471.61, 0.00300384/step Wall: 5471.61, 0.00300384/step, 2.64321 hours remaining, 207.226562 MB of memory in use. ENERGY: 1832200 750.4456 2074.5753 1930.4396 110.9408 -205945.9416 17598.4909 0.0000 0.0000 34425.0454 -149056.0041 300.6425 -183481.0495 -148967.1365 300.0563 -155.0401 -125.5514 557131.1794 7.9302 7.8118 LDB: ============= START OF LOAD BALANCING ============== 5475.16 LDB: ============== END OF LOAD BALANCING =============== 5475.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5475.16 LDB: ============= START OF LOAD BALANCING ============== 5475.46 LDB: Largest compute 4773 load 0.028492 is 24.1% of average load 0.118166 LDB: Average compute 0.001730 is 1.5% of average load 0.118166 LDB: TIME 5475.47 LOAD: AVG 0.118166 MAX 0.213431 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 5475.47 LOAD: AVG 0.118166 MAX 0.213431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.516 MB LDB: TIME 5475.47 LOAD: AVG 0.118166 MAX 0.213431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.516 MB LDB: ============== END OF LOAD BALANCING =============== 5475.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5475.47 PRESSURE: 1832400 -119.827 20.7217 81.3032 20.7213 191.772 -14.2378 81.3034 -14.2376 347.479 GPRESSURE: 1832400 -53.1769 61.883 112.127 -17.8552 228.256 -3.41955 54.5605 -16.5098 360.908 PRESSAVG: 1832400 -3.6943 62.5467 28.9286 62.5467 -5.79238 -9.84749 28.9285 -9.84734 29.787 GPRESSAVG: 1832400 -4.02553 61.2248 28.5218 64.7022 -6.06333 -11.5319 29.2217 -10.0157 30.8907 TIMING: 1832400 CPU: 5472.22, 0.00309107/step Wall: 5472.22, 0.00309107/step, 2.7198 hours remaining, 207.343750 MB of memory in use. ENERGY: 1832400 698.2084 2108.8959 1911.8631 99.5050 -206361.8126 18128.0051 0.0000 0.0000 34471.5841 -148943.7510 301.0489 -183415.3350 -148851.4693 300.4138 139.8079 178.6622 557500.2910 6.7668 6.9339 PRESSURE: 1832600 18.586 -60.9302 -26.2008 -60.9305 99.4257 -4.68554 -26.2022 -4.68331 202.212 GPRESSURE: 1832600 65.5655 5.85931 32.7737 -32.2275 168.162 -58.4893 -23.2798 -17.3952 182.445 PRESSAVG: 1832600 -34.507 14.7618 30.1395 14.7618 -70.0517 25.7658 30.1395 25.7658 75.0117 GPRESSAVG: 1832600 -34.8744 16.5405 29.208 13.0808 -69.539 26.3828 30.4916 25.445 74.3317 TIMING: 1832600 CPU: 5472.82, 0.00297416/step Wall: 5472.82, 0.00297416/step, 2.61676 hours remaining, 207.343750 MB of memory in use. ENERGY: 1832600 721.3016 2064.3634 1932.7540 99.3685 -205930.3541 17915.3342 0.0000 0.0000 34222.2261 -148975.0062 298.8712 -183197.2323 -148883.2588 299.6458 106.7414 138.7239 557414.9844 -9.8490 -10.0272 PRESSURE: 1832800 -230.754 -104.811 104.359 -104.813 -72.4928 -168.143 104.358 -168.144 -174.081 GPRESSURE: 1832800 -148.421 -86.8403 82.3054 -140.879 -88.0803 -117.045 119.04 -144.749 -138.575 PRESSAVG: 1832800 -34.0597 37.8252 26.0212 37.8252 -11.5483 12.5971 26.0211 12.5972 35.3446 GPRESSAVG: 1832800 -33.6304 38.194 26.2057 36.7312 -12.5222 12.8288 26.0368 13.2713 35.4621 TIMING: 1832800 CPU: 5473.42, 0.00298929/step Wall: 5473.42, 0.00298929/step, 2.62991 hours remaining, 207.343750 MB of memory in use. ENERGY: 1832800 729.2682 2073.7574 1957.7106 116.4495 -206140.4924 17685.5994 0.0000 0.0000 34351.5277 -149226.1796 300.0004 -183577.7073 -149129.5930 299.7166 -159.1092 -125.0253 557478.8337 -3.4211 -3.5635 PRESSURE: 1833000 -279.712 75.3194 73.9415 75.3191 -15.3855 -59.8069 73.9402 -59.8082 18.7559 GPRESSURE: 1833000 -196.859 44.944 -18.2422 73.3307 19.3458 -66.4304 62.017 44.9877 5.01757 PRESSAVG: 1833000 -52.8717 24.9628 17.6352 24.9629 50.518 -47.5993 17.6351 -47.5993 30.0705 GPRESSAVG: 1833000 -52.7774 27.0911 17.612 22.3274 50.6046 -45.8363 16.9216 -48.718 30.1476 TIMING: 1833000 CPU: 5474.01, 0.00296931/step Wall: 5474.01, 0.00296931/step, 2.61217 hours remaining, 207.343750 MB of memory in use. ENERGY: 1833000 707.0470 2043.3653 1941.8395 110.5748 -206057.9830 17714.2058 0.0000 0.0000 34282.5108 -149258.4397 299.3977 -183540.9505 -149157.8140 300.0300 -92.1139 -57.4986 559031.7051 9.2390 9.3250 PRESSURE: 1833200 -57.688 -87.3386 154.415 -87.3377 -124.058 -252.58 154.415 -252.58 -66.9134 GPRESSURE: 1833200 -55.7116 -78.329 160.088 -85.168 -106.811 -157.362 55.8339 -284.677 7.97491 PRESSAVG: 1833200 9.54317 4.48113 -3.81211 4.4811 -35.97 -17.0362 -3.81219 -17.0361 -6.25245 GPRESSAVG: 1833200 8.06055 3.32245 -2.95395 7.08313 -33.5822 -17.2693 -4.50443 -17.1888 -6.99992 TIMING: 1833200 CPU: 5474.61, 0.00300918/step Wall: 5474.61, 0.00300918/step, 2.64708 hours remaining, 207.343750 MB of memory in use. ENERGY: 1833200 743.1399 2088.4536 1919.0864 107.8696 -206135.2456 17728.3755 0.0000 0.0000 34306.5467 -149241.7739 299.6076 -183548.3207 -149138.5452 298.7830 -82.8864 -51.5157 557656.0751 -10.8931 -10.8405 PRESSURE: 1833400 49.1805 -60.9843 152.272 -60.9841 -13.76 -142.157 152.271 -142.156 12.1768 GPRESSURE: 1833400 26.4222 -83.9758 90.3303 -113.351 20.1666 -119.347 116.236 -166.783 96.9097 PRESSAVG: 1833400 24.7454 -60.3036 41.3385 -60.3037 -12.4026 -49.9386 41.3384 -49.9385 -3.17278 GPRESSAVG: 1833400 25.2006 -60.8053 39.2358 -59.5237 -14.4139 -47.7002 43.7385 -49.8974 -1.84719 TIMING: 1833400 CPU: 5475.22, 0.00305703/step Wall: 5475.22, 0.00305703/step, 2.689 hours remaining, 207.343750 MB of memory in use. ENERGY: 1833400 762.6898 2068.5559 1915.5320 113.6772 -206139.9720 17803.2961 0.0000 0.0000 34277.8944 -149198.3266 299.3574 -183476.2210 -149113.6583 299.3134 15.8658 47.8328 559286.3010 3.0567 2.9798 PRESSURE: 1833600 -137.911 -38.243 25.6266 -38.2442 46.417 -31.188 25.6251 -31.1869 136.032 GPRESSURE: 1833600 -29.751 -110.779 -28.7642 -85.6969 39.4816 -18.998 29.829 17.1304 120.461 PRESSAVG: 1833600 7.98735 -26.0914 11.5654 -26.0913 16.6523 -6.87587 11.5655 -6.87584 -48.7491 GPRESSAVG: 1833600 9.52906 -27.2736 13.6133 -26.9196 17.0219 -9.69763 9.5003 -5.58741 -51.2598 TIMING: 1833600 CPU: 5475.82, 0.00297861/step Wall: 5475.82, 0.00297861/step, 2.61985 hours remaining, 207.343750 MB of memory in use. ENERGY: 1833600 727.5149 2062.1156 1941.5752 106.4624 -205752.0625 17682.0663 0.0000 0.0000 34237.9594 -148994.3688 299.0086 -183232.3282 -148902.2594 299.0422 14.8460 43.3973 558806.6059 -8.0365 -8.2363 PRESSURE: 1833800 82.1996 102.698 -141.865 102.697 -162.207 -176.825 -141.866 -176.826 -63.2617 GPRESSURE: 1833800 127.021 105.208 -159.367 182.256 -69.1258 -213.599 -46.6637 -122.667 -86.5449 PRESSAVG: 1833800 -33.3826 -7.13808 -30.7563 -7.13812 75.7603 -25.5496 -30.7563 -25.5496 10.4745 GPRESSAVG: 1833800 -34.0103 -6.50628 -29.6461 -9.61129 74.0792 -25.1912 -31.8447 -26.2715 12.7903 TIMING: 1833800 CPU: 5476.41, 0.00296066/step Wall: 5476.41, 0.00296066/step, 2.6039 hours remaining, 207.343750 MB of memory in use. ENERGY: 1833800 789.5009 1992.6674 1922.2965 116.4796 -205831.4822 17714.8615 0.0000 0.0000 34180.3405 -149115.3359 298.5054 -183295.6764 -149022.1488 299.7772 -47.7565 -9.5500 559189.5998 17.6174 17.6197 PRESSURE: 1834000 -180.711 92.9715 41.2969 92.9716 17.1618 104.469 41.2983 104.468 32.7141 GPRESSURE: 1834000 -181.64 17.1574 -64.5358 140.567 93.9671 77.0319 92.9577 174.354 57.2383 PRESSAVG: 1834000 33.0161 30.3776 -69.0756 30.3776 -46.7877 43.7929 -69.0756 43.7929 -4.04307 GPRESSAVG: 1834000 31.4168 31.1116 -68.8967 32.3208 -44.5494 44.9665 -68.5477 43.549 -4.39349 TIMING: 1834000 CPU: 5477.01, 0.0030103/step Wall: 5477.01, 0.0030103/step, 2.64739 hours remaining, 207.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1834000 749.1655 2061.5647 1915.0935 125.6237 -205842.1888 17747.8598 0.0000 0.0000 34098.6269 -149144.2546 297.7918 -183242.8815 -149050.0825 299.0601 -43.6116 -10.1447 556886.6908 -5.9382 -5.8420 PRESSURE: 1834200 69.7058 -112.091 36.9409 -112.09 -92.0507 6.51388 36.9403 6.51172 302.221 GPRESSURE: 1834200 93.4637 -26.7752 1.41046 -170.173 -47.2147 -22.4067 130.787 21.9498 314.848 PRESSAVG: 1834200 14.3745 -1.51898 23.2386 -1.51906 -40.6872 -34.5998 23.2385 -34.5998 47.0576 GPRESSAVG: 1834200 13.9971 -0.472894 22.943 -2.44843 -41.3022 -34.8677 22.9896 -34.5207 48.0315 TIMING: 1834200 CPU: 5477.61, 0.0029738/step Wall: 5477.61, 0.0029738/step, 2.61513 hours remaining, 207.343750 MB of memory in use. ENERGY: 1834200 782.6369 2071.2211 1910.3293 115.6507 -206349.4256 18015.5930 0.0000 0.0000 34444.3605 -149009.6342 300.8112 -183453.9946 -148909.6254 299.5490 93.2919 120.3655 556827.8976 6.9150 6.9088 PRESSURE: 1834400 -39.9011 186.992 -135.859 186.992 -30.779 93.9421 -135.859 93.9437 -148.109 GPRESSURE: 1834400 5.41508 153.986 -163.8 135.874 -29.7437 51.862 -131.841 142.215 -90.1952 PRESSAVG: 1834400 -23.88 43.5989 74.0745 43.5991 10.5799 8.10152 74.0745 8.10172 70.0859 GPRESSAVG: 1834400 -22.3534 41.637 72.8844 46.8197 10.7891 8.49473 74.5231 8.27452 68.581 TIMING: 1834400 CPU: 5478.2, 0.00298163/step Wall: 5478.2, 0.00298163/step, 2.62185 hours remaining, 207.343750 MB of memory in use. ENERGY: 1834400 754.9687 2079.2751 1950.9779 119.0082 -206080.7044 17814.8951 0.0000 0.0000 34423.0229 -148938.5565 300.6248 -183361.5794 -148836.3252 300.2772 -72.9296 -38.1746 557659.8877 18.9286 19.0056 PRESSURE: 1834600 75.6209 51.261 -138.525 51.26 272.796 -39.7494 -138.524 -39.7497 237.18 GPRESSURE: 1834600 77.7714 25.9886 -145.505 95.3019 285.197 -77.1696 -123.76 15.9615 326.653 PRESSAVG: 1834600 -31.0344 23.8646 -26.8706 23.8647 21.1404 28.6172 -26.8706 28.6173 58.5878 GPRESSAVG: 1834600 -31.9559 25.2908 -26.5095 23.2534 21.0539 27.9088 -24.5279 28.6695 59.1939 TIMING: 1834600 CPU: 5478.81, 0.00301349/step Wall: 5478.81, 0.00301349/step, 2.64969 hours remaining, 207.343750 MB of memory in use. ENERGY: 1834600 713.7723 2093.8229 1908.2609 110.6867 -206524.8364 18110.6028 0.0000 0.0000 34432.1839 -149155.5069 300.7048 -183587.6908 -149061.2079 300.2243 195.1991 229.8738 558024.8501 16.2313 16.0973 PRESSURE: 1834800 75.3245 -109.494 -88.7171 -109.494 200.194 -84.8923 -88.7177 -84.8914 16.4492 GPRESSURE: 1834800 101.873 -134.314 -132.159 -78.821 202.084 -148.224 -29.9223 -137.778 103.326 PRESSAVG: 1834800 8.06591 17.3631 -2.72029 17.3631 7.69353 -74.9726 -2.72028 -74.9727 -1.42295 GPRESSAVG: 1834800 8.69665 16.2884 -1.3485 17.3789 7.08412 -76.3804 -5.14518 -74.0237 -1.46689 TIMING: 1834800 CPU: 5479.4, 0.00296183/step Wall: 5479.4, 0.00296183/step, 2.60411 hours remaining, 207.343750 MB of memory in use. ENERGY: 1834800 750.6494 2128.2049 1936.4537 116.9619 -206411.2097 17969.5680 0.0000 0.0000 34374.9197 -149134.4519 300.2047 -183509.3717 -149038.3161 299.7735 97.3224 135.7608 557197.8514 4.7788 4.7713 PRESSURE: 1835000 402.571 -157.834 75.8489 -157.834 202.563 133.182 75.8496 133.181 129.712 GPRESSURE: 1835000 468.114 -103.822 125.602 -239.732 199.086 257.074 8.47821 139.393 157.683 PRESSAVG: 1835000 29.1343 23.7767 13.2665 23.7766 37.499 -0.0688531 13.2665 -0.0688072 -31.1817 GPRESSAVG: 1835000 28.1717 25.5565 11.7916 20.9936 38.3337 1.96796 16.0588 -2.12106 -31.6534 TIMING: 1835000 CPU: 5479.99, 0.00296424/step Wall: 5479.99, 0.00296424/step, 2.60606 hours remaining, 207.343750 MB of memory in use. ENERGY: 1835000 767.3909 2050.5440 1943.0296 106.8009 -206168.5133 18162.0187 0.0000 0.0000 34132.8498 -149005.8794 298.0907 -183138.7292 -148908.6933 299.0305 244.9486 274.9613 556959.6635 11.8172 11.6173 PRESSURE: 1835200 -89.8465 77.1181 -54.8217 77.1165 229.733 20.6958 -54.8238 20.6946 89.5639 GPRESSURE: 1835200 -25.0057 58.7638 33.1385 14.1932 236.27 56.4368 -61.6857 2.95373 117.795 PRESSAVG: 1835200 35.1442 5.28593 40.1435 5.28594 -25.4117 -8.40283 40.1435 -8.40302 -39.9692 GPRESSAVG: 1835200 35.5111 3.99969 41.5334 7.63312 -25.6476 -7.89701 37.2313 -7.3292 -40.1864 TIMING: 1835200 CPU: 5480.59, 0.00297329/step Wall: 5480.59, 0.00297329/step, 2.61386 hours remaining, 207.343750 MB of memory in use. ENERGY: 1835200 764.4995 2073.9204 1933.6492 121.0692 -206283.3834 18149.6225 0.0000 0.0000 34263.0195 -148977.6031 299.2275 -183240.6227 -148888.6991 299.8542 76.4835 109.6867 558679.1065 -10.0789 -10.1076 PRESSURE: 1835400 149.264 -109.801 30.3182 -109.801 129.723 134.583 30.3177 134.584 133.884 GPRESSURE: 1835400 200.072 -73.053 -5.32162 -209.344 147.467 87.2556 93.3865 175.189 150.502 PRESSAVG: 1835400 15.8071 4.16321 13.1627 4.1632 -6.69165 -9.14213 13.1626 -9.14219 -20.4557 GPRESSAVG: 1835400 16.6701 4.70361 11.9091 4.57439 -7.16973 -9.9414 14.4023 -11.4875 -20.9499 TIMING: 1835400 CPU: 5481.18, 0.00296207/step Wall: 5481.18, 0.00296207/step, 2.60382 hours remaining, 207.343750 MB of memory in use. ENERGY: 1835400 748.7099 2048.8107 1933.4705 106.4209 -206234.8742 18015.4931 0.0000 0.0000 34284.6162 -149097.3530 299.4161 -183381.9692 -149001.9728 299.4270 137.6236 166.0135 557889.6983 -3.7801 -3.8165 PRESSURE: 1835600 299.674 -27.7296 -59.4128 -27.7311 224.175 60.1414 -59.4117 60.1417 -180.709 GPRESSURE: 1835600 299.391 17.8324 -40.9741 2.06562 265.738 81.9676 -105.706 51.1104 -129.926 PRESSAVG: 1835600 12.3488 4.15073 -16.9267 4.15063 79.7204 -20.9986 -16.9266 -20.9985 -41.7021 GPRESSAVG: 1835600 12.1172 6.13328 -16.5413 2.31218 79.0968 -21.1102 -18.2197 -19.8345 -40.7211 TIMING: 1835600 CPU: 5481.78, 0.00298401/step Wall: 5481.78, 0.00298401/step, 2.62294 hours remaining, 207.343750 MB of memory in use. ENERGY: 1835600 754.9124 2089.5090 1937.0815 114.9481 -206456.8072 18063.7004 0.0000 0.0000 34383.2771 -149113.3787 300.2777 -183496.6557 -149016.0389 299.0370 114.3803 145.0678 557815.4719 16.7890 16.8310 PRESSURE: 1835800 -48.7012 73.7407 -64.0551 73.7407 26.7452 6.78459 -64.0539 6.7847 32.3017 GPRESSURE: 1835800 36.207 30.2454 -137.27 97.7645 19.1344 55.749 -84.4631 -9.71141 54.1484 PRESSAVG: 1835800 -27.4744 -31.617 25.8972 -31.6169 48.5883 31.204 25.8972 31.2041 -12.1642 GPRESSAVG: 1835800 -27.7771 -34.5856 26.1682 -31.898 50.0128 29.9254 27.3348 33.0201 -13.0935 TIMING: 1835800 CPU: 5482.37, 0.00296489/step Wall: 5482.37, 0.00296489/step, 2.60598 hours remaining, 207.343750 MB of memory in use. ENERGY: 1835800 738.3563 2095.2536 1939.1351 112.6660 -206234.8849 17859.3395 0.0000 0.0000 34381.6343 -149108.5001 300.2634 -183490.1343 -149011.8371 299.6144 3.4486 36.4966 559420.3838 2.9832 3.0474 PRESSURE: 1836000 54.2908 -36.6065 -99.1434 -36.6061 168.341 -62.5485 -99.1435 -62.5483 121.444 GPRESSURE: 1836000 99.0663 13.0305 -198.529 -128.453 180.412 -35.4545 36.3568 -180.359 180.215 PRESSAVG: 1836000 -47.9877 40.44 -39.0247 40.4399 30.6041 -7.72154 -39.0246 -7.72153 -42.0407 GPRESSAVG: 1836000 -49.1515 41.6966 -38.4857 42.7663 30.2651 -5.85927 -39.3824 -8.51859 -40.7458 TIMING: 1836000 CPU: 5482.96, 0.00295168/step Wall: 5482.96, 0.00295169/step, 2.5942 hours remaining, 207.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1836000 705.7088 2093.8849 1911.2816 116.4907 -206328.9828 18057.2819 0.0000 0.0000 34359.0421 -149085.2927 300.0661 -183444.3348 -148983.9127 299.6371 114.6917 153.2312 558404.1897 -19.8081 -19.8774 PRESSURE: 1836200 -55.5755 -151.844 168.074 -151.845 -151.384 -33.1011 168.076 -33.1007 186.515 GPRESSURE: 1836200 0.995228 -122.015 314.109 -103.926 -107.112 -67.9502 120.533 21.989 179.689 PRESSAVG: 1836200 -54.0606 28.8152 27.5913 28.8152 61.1531 -39.5074 27.5913 -39.5073 -26.5138 GPRESSAVG: 1836200 -52.9614 28.5526 26.4268 27.1695 60.1291 -41.3107 26.5481 -38.2149 -26.9369 TIMING: 1836200 CPU: 5483.55, 0.00295932/step Wall: 5483.55, 0.00295932/step, 2.60075 hours remaining, 207.343750 MB of memory in use. ENERGY: 1836200 744.4461 2180.9962 1905.0273 97.9472 -206032.0117 17930.4485 0.0000 0.0000 34106.3602 -149066.7864 297.8593 -183173.1465 -148968.0157 299.5382 -6.8148 24.5242 558654.0851 -6.4738 -6.5897 LDB: ============= START OF LOAD BALANCING ============== 5487.1 LDB: ============== END OF LOAD BALANCING =============== 5487.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5487.1 LDB: ============= START OF LOAD BALANCING ============== 5487.4 LDB: Largest compute 4773 load 0.028456 is 24.1% of average load 0.118159 LDB: Average compute 0.001729 is 1.5% of average load 0.118159 LDB: TIME 5487.4 LOAD: AVG 0.118159 MAX 0.209753 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.805 MB LDB: TIME 5487.4 LOAD: AVG 0.118159 MAX 0.209753 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.809 MB LDB: TIME 5487.4 LOAD: AVG 0.118159 MAX 0.209753 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.809 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5487.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5487.4 PRESSURE: 1836400 -1.80444 -122.106 220.541 -122.106 -28.1582 -44.2236 220.543 -44.2218 104.289 GPRESSURE: 1836400 16.1879 -83.3486 217.993 -117.905 5.66152 -35.3952 129.423 11.8008 151.155 PRESSAVG: 1836400 -33.306 9.34227 25.828 9.34232 9.20639 14.9157 25.828 14.9157 32.4781 GPRESSAVG: 1836400 -33.3264 8.56632 28.6696 10.1702 8.57581 17.686 24.7452 13.321 32.7931 TIMING: 1836400 CPU: 5484.15, 0.00301334/step Wall: 5484.15, 0.00301334/step, 2.64806 hours remaining, 206.515625 MB of memory in use. ENERGY: 1836400 728.2442 2151.4049 1929.5086 106.0331 -205909.3618 17728.4868 0.0000 0.0000 34270.5862 -148995.0981 299.2936 -183265.6842 -148900.1149 299.9816 24.7754 57.6682 558956.6317 2.7928 2.6808 PRESSURE: 1836600 -43.6008 150.348 62.883 150.347 -307.293 -69.3824 62.8836 -69.3837 -35.9417 GPRESSURE: 1836600 -39.4141 143.061 56.7355 124.775 -224.882 8.26698 111.229 -40.6648 -39.0807 PRESSAVG: 1836600 44.9765 54.0711 56.8494 54.0711 16.8944 -12.3485 56.8494 -12.3486 -53.4282 GPRESSAVG: 1836600 43.8487 55.0336 54.211 52.3658 19.3926 -14.0471 58.7864 -10.685 -54.5455 TIMING: 1836600 CPU: 5484.75, 0.0029738/step Wall: 5484.75, 0.0029738/step, 2.61314 hours remaining, 206.515625 MB of memory in use. ENERGY: 1836600 771.6317 2128.4410 1922.1929 109.9504 -205803.1743 17518.6671 0.0000 0.0000 34282.7510 -149069.5402 299.3998 -183352.2912 -148972.3120 298.7348 -128.9452 -101.1256 558462.8496 2.8143 2.8986 PRESSURE: 1836800 87.9529 8.54657 -36.0741 8.54547 -155.964 -57.5373 -36.0733 -57.5364 -251.895 GPRESSURE: 1836800 157.199 -37.5284 -31.3519 15.721 -143.208 -53.1254 17.4471 -41.2451 -236.495 PRESSAVG: 1836800 60.8959 27.923 25.7359 27.923 -17.52 -20.613 25.7359 -20.6129 -15.862 GPRESSAVG: 1836800 62.2973 27.3577 24.1893 28.6521 -19.1029 -22.2951 26.6224 -20.4175 -15.7347 TIMING: 1836800 CPU: 5485.34, 0.00296653/step Wall: 5485.34, 0.00296653/step, 2.60659 hours remaining, 206.515625 MB of memory in use. ENERGY: 1836800 715.3621 2126.2732 1944.9910 104.8938 -206007.3793 17875.5762 0.0000 0.0000 34270.9743 -148969.3087 299.2969 -183240.2830 -148876.3698 299.4476 -106.6355 -74.1683 559538.5505 9.1713 9.1532 PRESSURE: 1837000 -15.5316 41.6974 5.71546 41.698 50.6144 -7.79264 5.71642 -7.79201 -152.179 GPRESSURE: 1837000 62.8334 44.3329 -31.0313 35.8899 38.0903 -34.5057 7.75983 -88.3119 -121.614 PRESSAVG: 1837000 44.2105 37.1095 30.6643 37.1095 -60.7546 5.78778 30.6644 5.78782 -3.95306 GPRESSAVG: 1837000 44.3289 35.8051 31.8633 37.9727 -60.8413 7.90388 27.9067 4.76217 -3.55856 TIMING: 1837000 CPU: 5485.93, 0.00295225/step Wall: 5485.93, 0.00295225/step, 2.59388 hours remaining, 206.515625 MB of memory in use. ENERGY: 1837000 778.4865 2076.6389 1930.8803 108.9871 -206029.1727 17834.1769 0.0000 0.0000 34310.0143 -148989.9888 299.6379 -183300.0031 -148897.1753 300.0339 -39.0319 -6.8969 558561.6699 -6.8324 -6.6903 PRESSURE: 1837200 300.277 -45.8968 209.141 -45.8963 244.51 3.80843 209.141 3.81007 80.5968 GPRESSURE: 1837200 366.303 -55.7847 239.717 -53.1271 231.94 -22.4772 130.868 80.8141 123.432 PRESSAVG: 1837200 -21.5607 60.4326 20.1234 60.4326 22.9907 31.377 20.1233 31.3771 38.2357 GPRESSAVG: 1837200 -21.6675 62.3347 19.4459 59.3578 23.9675 28.2133 22.1713 30.9489 38.4884 TIMING: 1837200 CPU: 5486.53, 0.00297228/step Wall: 5486.53, 0.00297228/step, 2.61132 hours remaining, 206.515625 MB of memory in use. ENERGY: 1837200 740.7550 2086.9500 1926.8524 115.8711 -206517.2431 18203.8007 0.0000 0.0000 34292.5895 -149150.4245 299.4857 -183443.0140 -149057.0004 299.8752 208.4612 240.5582 555601.3586 13.2219 13.5961 PRESSURE: 1837400 29.8263 -168.914 80.4918 -168.913 -354.016 -41.9709 80.4897 -41.9692 175.856 GPRESSURE: 1837400 63.3071 -214.691 28.8198 -93.9964 -294.141 -44.7898 36.4174 1.62852 174.375 PRESSAVG: 1837400 17.7418 -47.0578 22.8838 -47.058 5.85667 -37.7937 22.8839 -37.7936 -23.9531 GPRESSAVG: 1837400 17.6165 -47.0609 22.9181 -46.4707 6.79252 -35.7318 22.3107 -36.8572 -24.5049 TIMING: 1837400 CPU: 5487.12, 0.00295809/step Wall: 5487.12, 0.00295809/step, 2.59869 hours remaining, 206.515625 MB of memory in use. ENERGY: 1837400 786.6026 2051.0969 1936.9028 106.1853 -206347.1786 17974.0681 0.0000 0.0000 34267.9496 -149224.3733 299.2705 -183492.3229 -149127.0385 299.3291 -49.4444 -18.8198 556790.6450 -0.1182 -0.0319 PRESSURE: 1837600 -208.466 -18.9552 -13.8712 -18.954 -37.7729 154.242 -13.8719 154.243 -106.216 GPRESSURE: 1837600 -201.535 21.3337 37.721 6.13931 6.30147 123.057 -16.8636 135.921 -48.8657 PRESSAVG: 1837600 -7.47856 -7.444 -20.0529 -7.44398 -32.4151 8.96866 -20.0529 8.9686 46.1563 GPRESSAVG: 1837600 -6.45528 -8.5618 -18.238 -8.47619 -34.2824 11.3061 -20.9767 5.20741 46.3014 TIMING: 1837600 CPU: 5487.71, 0.00297004/step Wall: 5487.71, 0.00297004/step, 2.60902 hours remaining, 206.515625 MB of memory in use. ENERGY: 1837600 771.8588 2106.9884 1918.1675 112.0781 -205600.2931 17408.4270 0.0000 0.0000 34213.3544 -149069.4189 298.7937 -183282.7733 -148973.1429 299.8735 -117.4850 -81.3664 556574.8892 2.0876 1.8546 PRESSURE: 1837800 -45.2485 11.975 -20.5171 11.974 70.3276 15.5594 -20.5165 15.5589 -163.809 GPRESSURE: 1837800 -38.6109 97.4317 -39.6529 -86.9226 54.5587 11.3857 -4.82191 95.788 -65.1473 PRESSAVG: 1837800 -18.9996 -24.5785 20.7739 -24.5786 39.2571 -2.71857 20.7739 -2.71854 -16.878 GPRESSAVG: 1837800 -20.3179 -23.3976 20.6308 -24.5861 39.7458 -5.93964 21.98 0.596487 -17.0049 TIMING: 1837800 CPU: 5488.31, 0.0029703/step Wall: 5488.31, 0.0029703/step, 2.60908 hours remaining, 206.515625 MB of memory in use. ENERGY: 1837800 745.5635 2089.8445 1922.2752 103.4620 -206164.7779 17845.8182 0.0000 0.0000 34589.6777 -148868.1368 302.0803 -183457.8145 -148775.1119 299.9552 -46.2431 -16.3998 558608.3816 1.1265 0.8077 PRESSURE: 1838000 57.1953 -7.66273 188.886 -7.66382 321.45 -132.931 188.887 -132.929 104.431 GPRESSURE: 1838000 114.673 25.8917 74.8093 -110.499 332.728 -163.288 191.521 -122.074 122.473 PRESSAVG: 1838000 7.41706 -24.4497 40.8621 -24.4498 3.13277 9.19449 40.8622 9.19459 -24.202 GPRESSAVG: 1838000 7.47541 -23.0035 41.0059 -24.272 2.84881 11.8479 38.3082 7.87432 -24.3504 TIMING: 1838000 CPU: 5488.9, 0.0029557/step Wall: 5488.9, 0.0029557/step, 2.59609 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1838000 767.7635 2025.9860 1899.8096 107.9736 -206391.7990 18067.3275 0.0000 0.0000 34495.5553 -149027.3836 301.2583 -183522.9389 -148935.0826 301.1261 161.0255 189.9580 558144.6928 -4.5507 -4.6754 PRESSURE: 1838200 82.3037 -188.346 -114.365 -188.346 -17.6704 -21.465 -114.365 -21.4667 -237.601 GPRESSURE: 1838200 115.296 -188.567 -20.8787 -212.886 -28.0127 -4.2786 -105.139 0.575328 -166.758 PRESSAVG: 1838200 -33.2286 -35.3235 30.3478 -35.3235 40.8859 -21.6308 30.3478 -21.6308 39.5392 GPRESSAVG: 1838200 -34.1576 -37.8322 28.0829 -34.5501 41.4582 -24.315 33.6435 -20.1267 39.538 TIMING: 1838200 CPU: 5489.49, 0.0029671/step Wall: 5489.49, 0.0029671/step, 2.60594 hours remaining, 206.515625 MB of memory in use. ENERGY: 1838200 732.0231 2091.6829 1927.4707 125.5672 -206218.5693 17960.9696 0.0000 0.0000 34270.2217 -149110.6341 299.2904 -183380.8558 -149008.0364 299.9845 -57.6559 -26.4917 560209.3335 15.7322 15.6129 PRESSURE: 1838400 -243.802 87.156 -126.041 87.1563 46.0869 -53.654 -126.042 -53.6518 -202.852 GPRESSURE: 1838400 -241.04 33.6829 -214.37 -11.7685 112.285 -96.2505 -193.778 -52.3097 -170.4 PRESSAVG: 1838400 -65.2852 -19.2608 -27.2417 -19.2608 -1.33996 -10.0234 -27.2417 -10.0233 23.9411 GPRESSAVG: 1838400 -65.5025 -17.4602 -27.4709 -20.7375 -1.29073 -8.97376 -26.9002 -9.77634 23.971 TIMING: 1838400 CPU: 5490.08, 0.00296347/step Wall: 5490.08, 0.00296347/step, 2.60258 hours remaining, 206.515625 MB of memory in use. ENERGY: 1838400 781.0763 2063.0792 1913.1923 114.4943 -206089.0537 17742.3645 0.0000 0.0000 34043.0995 -149431.7478 297.3069 -183474.8473 -149340.9407 298.3804 -133.5224 -99.7182 558870.0035 -14.2280 -14.2741 PRESSURE: 1838600 75.1222 -84.5646 -73.8223 -84.5644 -37.1726 -13.0651 -73.8225 -13.0664 -248.26 GPRESSURE: 1838600 141.263 4.81377 -203.958 -227.369 -29.365 -23.317 -14.1274 -30.7293 -211.504 PRESSAVG: 1838600 -39.6602 5.81835 -1.97676 5.81842 48.8707 30.1226 -1.97668 30.1226 -28.525 GPRESSAVG: 1838600 -39.4302 5.16836 -0.469733 4.8978 49.144 30.613 -3.94636 29.5108 -29.5731 TIMING: 1838600 CPU: 5490.68, 0.00298445/step Wall: 5490.68, 0.00298445/step, 2.62085 hours remaining, 206.515625 MB of memory in use. ENERGY: 1838600 748.1170 2105.9529 1951.3253 109.9703 -206266.0437 17788.1880 0.0000 0.0000 34305.6028 -149256.8874 299.5994 -183562.4903 -149162.1794 298.7332 -70.1034 -33.2019 558549.6153 -6.4382 -6.6198 PRESSURE: 1838800 -159.173 -63.4039 -210.138 -63.405 -253.832 241.095 -210.137 241.096 188.515 GPRESSURE: 1838800 -69.3559 -122.773 -195.136 -69.5883 -232.415 283.307 -153.69 235.71 175.866 PRESSAVG: 1838800 36.2765 -29.6976 10.0307 -29.6975 1.94734 4.09552 10.0307 4.09549 -4.9925 GPRESSAVG: 1838800 37.2024 -29.6991 11.4378 -26.9772 1.21256 2.63889 11.3759 4.00691 -5.18511 TIMING: 1838800 CPU: 5491.28, 0.00298591/step Wall: 5491.28, 0.00298591/step, 2.62196 hours remaining, 206.515625 MB of memory in use. ENERGY: 1838800 752.2013 2107.4479 1966.7300 101.8955 -206006.4534 17692.5671 0.0000 0.0000 34226.4791 -149159.1325 298.9084 -183385.6116 -149068.8020 299.1479 -74.8302 -41.9684 557830.3896 11.0771 11.0766 PRESSURE: 1839000 -131.462 71.7912 64.4521 71.7916 -32.8485 -75.7518 64.4515 -75.751 36.0743 GPRESSURE: 1839000 -112.171 91.4788 1.79591 46.1287 23.506 -50.1068 64.2369 26.3634 51.3762 PRESSAVG: 1839000 8.61568 -6.03741 -2.69298 -6.03736 -31.1504 -47.9182 -2.69291 -47.9182 6.96587 GPRESSAVG: 1839000 7.87448 -8.03554 -5.28858 -5.624 -32.203 -46.3949 -2.34826 -47.7831 8.34322 TIMING: 1839000 CPU: 5491.88, 0.00299367/step Wall: 5491.88, 0.00299367/step, 2.62861 hours remaining, 206.515625 MB of memory in use. ENERGY: 1839000 750.7234 2099.7767 1947.2073 118.5859 -206200.4096 17784.0672 0.0000 0.0000 34319.1125 -149180.9367 299.7173 -183500.0492 -149083.6084 299.4365 -42.7453 -12.4295 558615.5690 -5.1896 -5.3284 PRESSURE: 1839200 -87.2141 -89.4032 -0.314815 -89.4024 47.4431 71.3655 -0.314705 71.3662 -122.303 GPRESSURE: 1839200 -95.3826 -94.209 75.7938 -47.1625 64.9698 48.8753 -73.48 41.6639 -58.4827 PRESSAVG: 1839200 0.238248 -37.258 7.82141 -37.2579 -11.8467 -16.8448 7.82141 -16.8447 7.033 GPRESSAVG: 1839200 0.508923 -36.1108 9.81757 -37.7559 -10.8223 -20.1066 7.22312 -17.0822 6.05159 TIMING: 1839200 CPU: 5492.47, 0.00296293/step Wall: 5492.47, 0.00296293/step, 2.60145 hours remaining, 206.515625 MB of memory in use. ENERGY: 1839200 718.4818 2153.3020 1948.1646 116.6299 -206189.8707 17759.8887 0.0000 0.0000 34284.0289 -149209.3747 299.4110 -183493.4036 -149110.6686 300.0166 -54.0248 -29.6318 559438.8138 -1.5251 -1.4206 PRESSURE: 1839400 -38.4185 10.4679 233.472 10.4684 -100.462 -73.8749 233.471 -73.8742 81.9417 GPRESSURE: 1839400 26.84 39.142 164.132 40.326 -90.5036 30.0587 239.935 -154.794 95.2955 PRESSAVG: 1839400 8.17569 66.3951 8.09933 66.3952 -34.1969 -5.18561 8.09929 -5.18571 23.5672 GPRESSAVG: 1839400 8.41362 67.4692 6.08148 65.2283 -34.8583 -3.02603 8.91399 -4.10554 24.1623 TIMING: 1839400 CPU: 5493.07, 0.00299042/step Wall: 5493.07, 0.00299042/step, 2.62542 hours remaining, 206.515625 MB of memory in use. ENERGY: 1839400 758.8348 2127.8694 1920.7281 106.0987 -206466.8797 17772.5038 0.0000 0.0000 34135.5574 -149645.2874 298.1143 -183780.8448 -149541.2057 298.0010 -18.9795 10.5440 557505.7042 -0.8180 -0.7608 PRESSURE: 1839600 -66.9395 -124.884 -138.929 -124.884 132.8 -24.1788 -138.927 -24.1781 331.158 GPRESSURE: 1839600 -29.3899 -218.334 -132.911 -211.657 132.762 51.2921 -221.819 46.5339 394.21 PRESSAVG: 1839600 -10.8048 -24.8334 -5.52795 -24.8335 49.4877 -6.21461 -5.52796 -6.21459 -0.158934 GPRESSAVG: 1839600 -10.6611 -25.1464 -5.86763 -25.0072 51.4937 -7.04381 -5.57654 -4.99077 -1.0657 TIMING: 1839600 CPU: 5493.66, 0.00298815/step Wall: 5493.66, 0.00298815/step, 2.62327 hours remaining, 206.515625 MB of memory in use. ENERGY: 1839600 742.5895 2059.7243 1928.0635 101.8953 -206356.0062 18018.0862 0.0000 0.0000 33965.1222 -149540.5252 296.6259 -183505.6473 -149443.0614 297.9479 132.3394 165.8606 557979.9634 12.8413 13.2556 PRESSURE: 1839800 -168.437 138.915 13.8901 138.915 -125.125 -92.5656 13.8892 -92.5665 -129.303 GPRESSURE: 1839800 -194.584 219.293 35.4208 249.778 -65.4342 -132.362 23.0394 -69.9976 -70.5433 PRESSAVG: 1839800 -10.7917 28.2633 41.8204 28.2633 -1.53551 41.2717 41.8204 41.2718 14.0333 GPRESSAVG: 1839800 -10.9948 29.2838 43.1718 28.8413 -2.7913 44.4128 41.3636 38.6787 15.0264 TIMING: 1839800 CPU: 5494.26, 0.00299201/step Wall: 5494.26, 0.00299201/step, 2.62648 hours remaining, 206.515625 MB of memory in use. ENERGY: 1839800 729.5648 2074.8444 1928.5091 111.9669 -206375.2802 17699.0147 0.0000 0.0000 34283.7884 -149547.5919 299.4089 -183831.3802 -149450.0850 297.5847 -140.9547 -110.1873 558138.4748 0.5687 0.4134 PRESSURE: 1840000 -310.968 -78.8762 74.5334 -78.8771 -269.313 -202.61 74.5324 -202.61 -166.134 GPRESSURE: 1840000 -279.588 -125.61 94.9316 -141.693 -224.872 -93.0005 127.841 -236.79 -149.89 PRESSAVG: 1840000 0.887011 20.9813 61.2089 20.9813 -36.0607 2.95176 61.2089 2.95188 39.2865 GPRESSAVG: 1840000 1.40278 20.0181 60.7484 21.6449 -35.8309 2.95826 60.8504 2.14903 39.1144 TIMING: 1840000 CPU: 5494.86, 0.00300423/step Wall: 5494.86, 0.00300423/step, 2.63705 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1840000 782.2201 2117.8768 1914.2366 114.8830 -206235.2647 17664.0312 0.0000 0.0000 34010.8365 -149631.1805 297.0251 -183642.0169 -149533.7846 298.4626 -248.8050 -218.1168 558697.2890 1.3709 1.5621 PRESSURE: 1840200 -266.423 -65.2193 18.657 -65.2183 -307.287 100.32 18.6565 100.32 -12.1328 GPRESSURE: 1840200 -257.727 -98.336 -0.467687 33.8222 -243.335 59.2953 62.583 115.371 15.5465 PRESSAVG: 1840200 -11.0359 6.67532 25.5868 6.67538 -75.5319 10.165 25.5868 10.1651 116.981 GPRESSAVG: 1840200 -11.1537 7.40406 26.2021 5.52626 -75.4311 8.2439 25.1104 12.1876 116.597 TIMING: 1840200 CPU: 5495.46, 0.00298404/step Wall: 5495.46, 0.00298404/step, 2.61915 hours remaining, 206.515625 MB of memory in use. ENERGY: 1840200 752.1091 2114.4117 1942.2373 117.7771 -206501.5885 17668.7502 0.0000 0.0000 34236.8045 -149669.4987 298.9985 -183906.3032 -149570.5369 298.5309 -195.2810 -161.8382 556420.6628 10.1379 10.0042 LDB: ============= START OF LOAD BALANCING ============== 5499.01 LDB: ============== END OF LOAD BALANCING =============== 5499.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5499.01 LDB: ============= START OF LOAD BALANCING ============== 5499.31 LDB: Largest compute 4773 load 0.026380 is 22.3% of average load 0.118186 LDB: Average compute 0.001725 is 1.5% of average load 0.118186 LDB: TIME 5499.32 LOAD: AVG 0.118186 MAX 0.213011 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.242 MB LDB: TIME 5499.32 LOAD: AVG 0.118186 MAX 0.213011 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.445 MB LDB: TIME 5499.32 LOAD: AVG 0.118186 MAX 0.213011 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.445 MB LDB: ============== END OF LOAD BALANCING =============== 5499.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5499.32 PRESSURE: 1840400 -93.7875 -122.163 -33.5675 -122.163 -140.325 -0.239917 -33.5673 -0.241524 -24.4698 GPRESSURE: 1840400 -76.3622 -79.5219 -31.9603 -135.493 -126.387 59.8257 7.07167 -42.1622 54.2483 PRESSAVG: 1840400 -87.0157 -55.6058 -40.9121 -55.6058 -31.9003 35.4056 -40.9121 35.4056 79.3527 GPRESSAVG: 1840400 -87.8062 -55.2634 -40.9629 -55.9921 -32.3468 35.4682 -40.7735 33.9451 81.0189 TIMING: 1840400 CPU: 5496.07, 0.00305509/step Wall: 5496.07, 0.00305509/step, 2.68135 hours remaining, 207.027344 MB of memory in use. ENERGY: 1840400 703.1288 2119.9541 1910.3022 95.6652 -206224.0559 17546.5631 0.0000 0.0000 34180.7549 -149667.6877 298.5090 -183848.4427 -149569.8017 298.5578 -86.1940 -49.5004 555855.8169 -13.1878 -13.0447 PRESSURE: 1840600 -199.131 -38.95 -1.60557 -38.9509 -148.938 -28.6522 -1.60621 -28.6518 -4.79431 GPRESSURE: 1840600 -142.441 5.3297 -69.0763 -12.6906 -128.631 20.3446 29.9463 -70.4783 38.8004 PRESSAVG: 1840600 -77.6183 -66.9586 12.7813 -66.9585 78.2964 -9.00534 12.7812 -9.00527 43.1577 GPRESSAVG: 1840600 -77.2073 -69.5468 12.4047 -65.0718 78.2001 -8.72736 13.8555 -8.21351 42.8956 TIMING: 1840600 CPU: 5496.67, 0.00298423/step Wall: 5496.67, 0.00298423/step, 2.61899 hours remaining, 207.027344 MB of memory in use. ENERGY: 1840600 722.0862 2119.7248 1937.4876 114.8925 -206385.1679 17660.3296 0.0000 0.0000 34273.8402 -149556.8070 299.3220 -183830.6472 -149464.7550 298.0407 -117.6209 -77.4238 556663.5192 14.6119 14.6295 PRESSURE: 1840800 -186.272 142.888 229.463 142.888 -100.154 -61.1956 229.462 -61.1964 -273.281 GPRESSURE: 1840800 -106.964 177.809 179.709 128.543 -116.681 -98.8797 249.091 -65.9516 -246.97 PRESSAVG: 1840800 46.4307 12.9666 44.5337 12.9665 -40.3242 -38.2544 44.5337 -38.2545 10.7002 GPRESSAVG: 1840800 46.6993 12.787 44.5305 11.4061 -41.237 -37.1575 42.8838 -37.949 11.0817 TIMING: 1840800 CPU: 5497.26, 0.00296838/step Wall: 5497.26, 0.00296838/step, 2.60492 hours remaining, 207.226562 MB of memory in use. ENERGY: 1840800 784.8366 2080.2672 1950.0781 116.5830 -206475.1470 17624.1972 0.0000 0.0000 34385.4420 -149533.7430 300.2966 -183919.1850 -149437.8141 298.9121 -186.5690 -156.8714 557205.6115 5.6022 5.5147 PRESSURE: 1841000 -426.58 103.22 68.8328 103.219 -172.568 114.761 68.8334 114.76 -137.24 GPRESSURE: 1841000 -376.095 141.512 169.5 139.428 -155.293 59.6611 58.6171 156.338 -101.302 PRESSAVG: 1841000 -22.953 25.0359 79.9928 25.0358 13.3815 58.35 79.9929 58.35 12.5498 GPRESSAVG: 1841000 -22.624 27.8754 81.1865 24.4068 13.2921 58.9401 80.5143 56.0471 12.1406 TIMING: 1841000 CPU: 5497.86, 0.00299164/step Wall: 5497.86, 0.00299164/step, 2.62516 hours remaining, 207.226562 MB of memory in use. ENERGY: 1841000 757.5852 2055.8624 1959.9222 115.0209 -205727.0096 17373.8552 0.0000 0.0000 34022.7321 -149442.0315 297.1290 -183464.7637 -149344.2664 299.4895 -245.4629 -210.8967 556774.6324 0.9928 0.9363 PRESSURE: 1841200 58.9613 -11.0549 130.857 -11.0548 268.889 16.9028 130.858 16.9026 222.327 GPRESSURE: 1841200 111.262 -41.7633 155.799 -47.5849 267.465 -53.4813 82.4052 -5.02147 268.861 PRESSAVG: 1841200 -20.0206 8.03076 28.737 8.03067 41.9232 44.3581 28.737 44.3581 -11.2139 GPRESSAVG: 1841200 -20.5626 6.69976 29.7758 8.30408 43.2259 42.8375 28.2495 47.241 -12.1865 TIMING: 1841200 CPU: 5498.46, 0.00298859/step Wall: 5498.46, 0.00298859/step, 2.62232 hours remaining, 207.226562 MB of memory in use. ENERGY: 1841200 722.6330 2115.3580 1956.5238 110.0090 -206724.5419 18137.4086 0.0000 0.0000 34336.2774 -149346.3322 299.8673 -183682.6096 -149249.0135 298.8343 183.3925 215.8627 555707.5904 3.5629 3.4923 PRESSURE: 1841400 210.777 -126.242 -224.199 -126.243 227.793 -89.2925 -224.199 -89.2918 271.337 GPRESSURE: 1841400 252.612 -202.017 -271.887 -166.179 258.526 -51.8699 -221.824 -147.394 299.629 PRESSAVG: 1841400 22.8497 -10.063 46.2915 -10.063 -30.1261 -18.414 46.2915 -18.4139 -0.863605 GPRESSAVG: 1841400 22.8901 -10.1611 42.805 -8.56349 -30.9458 -17.1855 47.8915 -19.4969 0.580608 TIMING: 1841400 CPU: 5499.06, 0.00300292/step Wall: 5499.06, 0.00300292/step, 2.63473 hours remaining, 207.226562 MB of memory in use. ENERGY: 1841400 725.5099 2121.2402 1921.5317 111.8154 -206734.2300 18277.0972 0.0000 0.0000 34479.8010 -149097.2348 301.1207 -183577.0357 -149005.2213 299.7779 236.6357 270.2558 557495.1395 -2.7134 -2.4917 PRESSURE: 1841600 96.6632 29.1877 -100.642 29.187 146.093 58.2797 -100.643 58.2806 90.4261 GPRESSURE: 1841600 166.554 84.4743 -175.388 12.8073 111.327 9.33913 -94.4457 121.621 154.803 PRESSAVG: 1841600 -28.1682 4.44924 -52.377 4.44931 76.3111 41.0564 -52.377 41.0564 -52.5585 GPRESSAVG: 1841600 -28.4088 4.1993 -51.814 3.90626 76.1254 39.9491 -54.5644 42.2824 -53.2194 TIMING: 1841600 CPU: 5499.66, 0.00299273/step Wall: 5499.66, 0.00299273/step, 2.62562 hours remaining, 207.226562 MB of memory in use. ENERGY: 1841600 772.6348 2093.4090 1935.4872 103.6672 -206479.0026 18117.0821 0.0000 0.0000 34525.5855 -148931.1367 301.5205 -183456.7222 -148831.7118 300.6135 111.0606 144.2278 557896.4251 -1.4719 -1.8343 PRESSURE: 1841800 -172.794 191.143 55.0106 191.144 -8.08727 -102.236 55.0101 -102.236 -156.476 GPRESSURE: 1841800 -144.484 193.421 18.7664 221.628 14.8018 39.3936 33.4158 -143.285 -119.376 PRESSAVG: 1841800 -29.3481 47.5602 -8.12426 47.5603 -40.0163 -29.3221 -8.12416 -29.322 54.3735 GPRESSAVG: 1841800 -28.8816 47.8545 -6.79247 48.8905 -40.3869 -28.4628 -6.87688 -29.4037 54.6437 TIMING: 1841800 CPU: 5500.26, 0.00299238/step Wall: 5500.26, 0.00299238/step, 2.62515 hours remaining, 207.226562 MB of memory in use. ENERGY: 1841800 761.2198 2118.8249 1941.3938 113.7385 -206453.4730 17953.1657 0.0000 0.0000 34491.2471 -149073.8831 301.2206 -183565.1303 -148973.2329 300.9068 -112.4525 -83.0195 559253.9319 -4.9969 -4.8749 PRESSURE: 1842000 -34.1224 6.00614 -93.2997 6.00617 -90.6159 -7.86887 -93.2996 -7.8695 166.42 GPRESSURE: 1842000 -37.0867 51.6046 -34.0114 20.3691 -29.8762 34.451 -89.2707 16.9568 205.142 PRESSAVG: 1842000 4.94372 22.5869 69.1855 22.5869 8.4999 -34.0203 69.1856 -34.0203 3.37744 GPRESSAVG: 1842000 4.23773 21.8242 68.2484 22.6171 9.88895 -34.1174 71.4746 -35.3076 3.15469 TIMING: 1842000 CPU: 5500.86, 0.00302163/step Wall: 5500.86, 0.00302163/step, 2.65064 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1842000 747.4295 2071.6751 1936.0154 116.6344 -206113.5079 17849.2750 0.0000 0.0000 34255.7421 -149136.7364 299.1639 -183392.4785 -149038.6292 300.7199 13.8939 46.0597 557213.0936 5.6070 5.7605 PRESSURE: 1842200 -89.3899 105.916 105.063 105.915 59.7743 21.2715 105.063 21.2694 -82.0549 GPRESSURE: 1842200 -26.1919 222.041 68.6564 83.775 63.709 -20.8783 78.2522 99.5807 -52.104 PRESSAVG: 1842200 13.317 4.33454 -32.0573 4.33462 -36.2979 -55.1908 -32.0573 -55.1908 7.70732 GPRESSAVG: 1842200 15.3465 6.61196 -31.7865 2.26143 -37.4151 -56.8602 -35.0664 -52.6469 6.97258 TIMING: 1842200 CPU: 5501.46, 0.0030111/step Wall: 5501.46, 0.0030111/step, 2.64124 hours remaining, 207.226562 MB of memory in use. ENERGY: 1842200 754.5018 2082.6778 1935.0170 117.1433 -206338.5356 17851.3532 0.0000 0.0000 34343.8775 -149253.9648 299.9336 -183597.8423 -149155.4461 299.8487 -37.2235 -4.8623 557827.9293 -5.0912 -5.0320 PRESSURE: 1842400 -117.307 52.7332 -114.349 52.7334 166.697 54.2616 -114.349 54.2621 106.867 GPRESSURE: 1842400 -85.3067 50.9331 -78.3187 124.095 208.363 41.6841 -143.411 14.8134 131.997 PRESSAVG: 1842400 37.122 30.0705 -12.3539 30.0704 -59.7865 -69.7577 -12.354 -69.7578 31.6512 GPRESSAVG: 1842400 36.1336 26.982 -12.2608 33.6582 -58.549 -70.3163 -10.4606 -70.9226 31.6643 TIMING: 1842400 CPU: 5502.06, 0.00298128/step Wall: 5502.06, 0.00298128/step, 2.61491 hours remaining, 207.226562 MB of memory in use. ENERGY: 1842400 767.7865 2055.6433 1937.4535 113.4664 -206516.1733 18048.1741 0.0000 0.0000 34265.4546 -149328.1949 299.2487 -183593.6494 -149227.4894 299.0849 52.0856 85.0177 556611.8931 2.9956 3.0829 PRESSURE: 1842600 32.2132 -263.003 157.781 -263.003 -11.2853 50.7616 157.781 50.7612 -7.33043 GPRESSURE: 1842600 23.0599 -268.367 109.334 -216.846 48.135 112.644 71.6565 -11.6633 29.0994 PRESSAVG: 1842600 18.0188 -82.3074 -6.57013 -82.3073 26.0103 -73.6739 -6.57023 -73.6739 -23.8348 GPRESSAVG: 1842600 18.5705 -79.314 -7.99499 -85.8585 25.1324 -69.7306 -6.5296 -76.1492 -24.0257 TIMING: 1842600 CPU: 5502.66, 0.00300726/step Wall: 5502.66, 0.00300726/step, 2.63754 hours remaining, 207.226562 MB of memory in use. ENERGY: 1842600 751.6139 2135.5571 1969.9045 119.3955 -206304.4446 17740.0089 0.0000 0.0000 34245.9006 -149342.0642 299.0780 -183587.9647 -149239.2939 299.5172 4.5325 33.4314 556489.4911 6.7314 6.5591 PRESSURE: 1842800 -24.3736 -14.3058 48.2172 -14.3046 -28.5823 -79.6192 48.2183 -79.6187 -39.6444 GPRESSURE: 1842800 65.9828 -33.7346 97.0432 -8.30303 -33.9749 -28.8599 -31.607 -25.9408 -29.7282 PRESSAVG: 1842800 75.7099 -90.2724 -6.56779 -90.2725 -3.98233 -12.5378 -6.56783 -12.5378 -36.2632 GPRESSAVG: 1842800 76.326 -92.2883 -7.6034 -88.7004 -5.45295 -15.4036 -7.41079 -10.4738 -35.9323 TIMING: 1842800 CPU: 5503.26, 0.00299345/step Wall: 5503.26, 0.00299345/step, 2.62525 hours remaining, 207.226562 MB of memory in use. ENERGY: 1842800 739.4465 2104.3475 1953.2051 101.3088 -206068.1225 17401.0299 0.0000 0.0000 34160.9163 -149607.8685 298.3358 -183768.7848 -149502.4321 298.8430 -30.8668 0.7599 556075.1919 11.8214 11.6469 PRESSURE: 1843000 71.3295 -19.1101 -38.1606 -19.1087 -139.336 157.663 -38.1596 157.663 15.1202 GPRESSURE: 1843000 118.275 -19.9443 -5.35476 5.75998 -141.735 62.8207 -72.41 168.758 67.1904 PRESSAVG: 1843000 36.401 -70.1287 9.40066 -70.1287 24.0346 22.0569 9.40065 22.0569 -32.9056 GPRESSAVG: 1843000 34.6462 -70.4609 11.2923 -70.2112 24.742 23.767 11.1187 20.988 -32.3026 TIMING: 1843000 CPU: 5503.85, 0.0029724/step Wall: 5503.85, 0.0029724/step, 2.60663 hours remaining, 207.226562 MB of memory in use. ENERGY: 1843000 712.8674 2119.4125 1944.7867 117.1866 -206302.3169 17784.0697 0.0000 0.0000 34176.2837 -149447.7100 298.4700 -183623.9938 -149349.6536 298.8633 -17.6289 14.5769 557266.9210 9.1767 9.0286 PRESSURE: 1843200 223.128 -134.772 16.9266 -134.771 124.4 -31.8264 16.9269 -31.8259 29.0645 GPRESSURE: 1843200 278.434 -104.647 -7.56239 -170.183 121.884 13.5461 21.7075 -6.38413 92.2036 PRESSAVG: 1843200 7.81609 -51.4757 65.3962 -51.4758 25.0719 10.817 65.3963 10.8169 -18.1502 GPRESSAVG: 1843200 8.40619 -51.1127 65.9053 -54.6293 26.3185 10.8345 63.9469 11.535 -19.6777 TIMING: 1843200 CPU: 5504.46, 0.00301282/step Wall: 5504.46, 0.00301282/step, 2.64191 hours remaining, 207.226562 MB of memory in use. ENERGY: 1843200 719.1335 2066.0971 1946.7022 108.0485 -206588.4160 18202.2217 0.0000 0.0000 33955.3114 -149590.9016 296.5402 -183546.2130 -149498.1248 298.4735 125.5308 164.1740 558347.3576 4.9126 5.0157 PRESSURE: 1843400 -19.748 -112.642 112.194 -112.643 122.34 -47.7507 112.192 -47.7499 -34.7731 GPRESSURE: 1843400 -6.11413 -178.074 207.473 -71.5916 201.161 -78.156 142.41 -88.6437 -27.5657 PRESSAVG: 1843400 32.1074 -28.1796 -4.9614 -28.1797 17.178 -12.9687 -4.9614 -12.9687 -27.9382 GPRESSAVG: 1843400 31.4501 -28.0793 -6.08538 -27.2446 16.8172 -11.9319 -4.81671 -13.5604 -27.5246 TIMING: 1843400 CPU: 5505.06, 0.0030105/step Wall: 5505.06, 0.0030105/step, 2.6397 hours remaining, 207.226562 MB of memory in use. ENERGY: 1843400 767.8734 2079.7466 1950.8809 133.0926 -206480.4760 17896.6420 0.0000 0.0000 34194.3289 -149457.9115 298.6276 -183652.2405 -149356.7886 298.0945 22.6064 55.8270 558395.1553 7.1158 6.9142 PRESSURE: 1843600 15.5369 55.9042 -75.3489 55.904 -150.546 -162.648 -75.3496 -162.647 -49.8947 GPRESSURE: 1843600 62.7782 51.7628 -35.8705 27.704 -146.331 -141.333 -64.9695 -101.322 -6.08061 PRESSAVG: 1843600 23.8164 -47.7886 -1.39907 -47.7885 7.21201 -15.8659 -1.39912 -15.8659 -68.9136 GPRESSAVG: 1843600 23.459 -46.4012 -2.18929 -46.7976 7.84866 -17.7932 0.162155 -14.7208 -69.0364 TIMING: 1843600 CPU: 5505.66, 0.00302911/step Wall: 5505.66, 0.00302911/step, 2.65585 hours remaining, 207.226562 MB of memory in use. ENERGY: 1843600 709.4506 2111.5516 1935.8633 110.6861 -206167.9936 17691.4664 0.0000 0.0000 34301.2779 -149307.6978 299.5616 -183608.9757 -149205.9764 298.6925 -61.6348 -29.8779 557462.0784 -12.6284 -12.5762 PRESSURE: 1843800 -282.843 -10.363 -45.1951 -10.3629 38.1329 -106.091 -45.1948 -106.09 31.0648 GPRESSURE: 1843800 -202.688 13.4934 16.0383 -50.3394 39.0698 -63.0102 -34.5213 -188.722 50.0191 PRESSAVG: 1843800 48.2018 26.8007 40.0448 26.8007 -8.80216 -20.079 40.0448 -20.0789 -3.30764 GPRESSAVG: 1843800 49.0591 25.0658 41.7706 26.897 -9.57819 -21.4645 38.7497 -21.2294 -3.15311 TIMING: 1843800 CPU: 5506.27, 0.00303568/step Wall: 5506.27, 0.00303568/step, 2.66145 hours remaining, 207.226562 MB of memory in use. ENERGY: 1843800 750.4462 2103.7957 1920.6346 109.7431 -205806.3144 17627.6809 0.0000 0.0000 34188.3593 -149105.6546 298.5754 -183294.0139 -149012.5844 299.5931 -71.2150 -37.8664 557407.0914 12.0307 12.1093 PRESSURE: 1844000 -272.273 -12.0311 159.623 -12.03 -43.5907 105.65 159.623 105.649 -127.278 GPRESSURE: 1844000 -259.142 66.626 116.27 55.7521 -35.9356 116.138 115.426 100.111 -60.9884 PRESSAVG: 1844000 26.0311 -25.4308 43.7933 -25.4306 -20.2724 -8.15385 43.7934 -8.15397 31.886 GPRESSAVG: 1844000 24.822 -24.8081 43.5426 -22.5052 -18.6149 -5.86943 43.3494 -8.5713 31.1327 TIMING: 1844000 CPU: 5506.87, 0.00298112/step Wall: 5506.87, 0.00298112/step, 2.61345 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1844000 748.1484 2065.8556 1958.5074 109.7019 -205925.0287 17582.9899 0.0000 0.0000 34253.3393 -149206.4861 299.1429 -183459.8254 -149116.4122 299.7187 -147.7141 -118.6887 556689.2866 12.5482 12.4466 PRESSURE: 1844200 -6.29449 84.0949 50.8818 84.094 -20.1454 -8.76137 50.8818 -8.76338 -26.0596 GPRESSURE: 1844200 34.5683 68.4292 33.6776 120.001 -13.0176 34.2382 -18.0344 -12.0921 7.12525 PRESSAVG: 1844200 -0.676897 0.838248 52.9152 0.838244 -20.0509 27.5947 52.9152 27.5946 23.5103 GPRESSAVG: 1844200 -0.51237 0.539656 53.7696 -2.57971 -20.8825 27.7294 53.8634 26.7515 24.2129 TIMING: 1844200 CPU: 5507.46, 0.00298678/step Wall: 5507.46, 0.00298678/step, 2.61824 hours remaining, 207.226562 MB of memory in use. ENERGY: 1844200 765.0543 2073.6500 1924.6468 113.9710 -206037.6592 17628.7901 0.0000 0.0000 34234.6989 -149296.8481 298.9801 -183531.5470 -149208.9213 299.2047 -17.4998 9.5587 557179.6874 0.9275 0.9394 LDB: ============= START OF LOAD BALANCING ============== 5511.01 LDB: ============== END OF LOAD BALANCING =============== 5511.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5511.02 LDB: ============= START OF LOAD BALANCING ============== 5511.31 LDB: Largest compute 4773 load 0.026421 is 22.4% of average load 0.118145 LDB: Average compute 0.001714 is 1.5% of average load 0.118145 LDB: TIME 5511.32 LOAD: AVG 0.118145 MAX 0.212817 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 5511.32 LOAD: AVG 0.118145 MAX 0.212817 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: TIME 5511.32 LOAD: AVG 0.118145 MAX 0.212817 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5511.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5511.32 PRESSURE: 1844400 184.316 -118.881 94.3713 -118.882 -152.224 -78.5828 94.3703 -78.5812 77.0891 GPRESSURE: 1844400 192.383 -193.142 113.409 -94.5317 -55.4169 -33.3942 82.3607 -69.1132 70.5967 PRESSAVG: 1844400 11.9319 -30.8555 32.0216 -30.8556 0.23921 19.5786 32.0217 19.5785 3.59148 GPRESSAVG: 1844400 11.5413 -29.9567 31.1132 -31.3117 0.650135 18.0048 30.7958 23.5784 3.47121 TIMING: 1844400 CPU: 5508.07, 0.00303697/step Wall: 5508.07, 0.00303697/step, 2.66207 hours remaining, 207.796875 MB of memory in use. ENERGY: 1844400 709.8157 2061.5293 1934.8538 96.8886 -206100.9953 17790.6312 0.0000 0.0000 34415.1623 -149092.1145 300.5562 -183507.2767 -148987.4595 299.2128 36.3935 69.1875 556958.0438 5.2542 5.2209 PRESSURE: 1844600 -571.827 -83.4874 73.5486 -83.4872 -23.1471 -57.5169 73.5475 -57.5166 217.249 GPRESSURE: 1844600 -521.142 31.2149 18.5121 -144.196 13.1906 -114.246 84.8544 -5.16272 236.072 PRESSAVG: 1844600 5.5581 -52.7946 -5.18823 -52.7946 -23.5702 9.16805 -5.18821 9.16817 23.6279 GPRESSAVG: 1844600 5.63115 -52.4646 -4.24801 -51.5469 -24.0516 11.5571 -6.03432 5.80637 24.2485 TIMING: 1844600 CPU: 5508.66, 0.00294804/step Wall: 5508.66, 0.00294804/step, 2.58396 hours remaining, 208.000000 MB of memory in use. ENERGY: 1844600 757.8921 2026.0340 1933.9640 114.1720 -205747.7048 17620.7257 0.0000 0.0000 34261.7127 -149033.2043 299.2161 -183294.9170 -148936.6574 300.3862 -125.9084 -90.6265 557749.4684 1.8719 1.9427 PRESSURE: 1844800 5.42067 -31.6687 119.15 -31.6681 235.212 -100.427 119.15 -100.429 -2.56994 GPRESSURE: 1844800 48.8912 -116.473 87.5106 19.2825 220.24 -44.5361 101.801 -80.9019 66.3057 PRESSAVG: 1844800 -19.9776 -18.5398 -5.98421 -18.5398 16.1507 -35.3299 -5.98413 -35.3299 -18.4438 GPRESSAVG: 1844800 -20.2827 -20.805 -5.25074 -20.0707 16.1233 -37.4624 -5.72393 -33.2098 -18.2324 TIMING: 1844800 CPU: 5509.25, 0.00296075/step Wall: 5509.25, 0.00296075/step, 2.59493 hours remaining, 208.000000 MB of memory in use. ENERGY: 1844800 742.8921 2059.4225 1948.1480 108.8679 -206152.3855 17846.2389 0.0000 0.0000 34330.8404 -149115.9756 299.8198 -183446.8160 -149023.7455 299.7852 79.3541 111.8122 556786.4077 -7.4235 -7.4640 PRESSURE: 1845000 10.0178 -86.7977 -134.647 -86.7965 -216.396 -24.004 -134.649 -24.0034 149.353 GPRESSURE: 1845000 43.0267 -35.4846 -84.5532 -76.2127 -200.426 -60.7452 -135.069 19.1552 200.972 PRESSAVG: 1845000 74.3017 2.74174 -70.4334 2.74176 -28.1557 -12.2481 -70.4333 -12.2482 11.4156 GPRESSAVG: 1845000 76.1623 3.68163 -69.9319 3.20139 -29.5175 -9.48449 -70.1639 -13.4476 12.0034 TIMING: 1845000 CPU: 5509.86, 0.00301421/step Wall: 5509.86, 0.0030142/step, 2.64162 hours remaining, 208.000000 MB of memory in use. ENERGY: 1845000 691.8983 2131.5285 1949.6819 112.0331 -206139.6933 17794.5416 0.0000 0.0000 34337.7515 -149122.2584 299.8801 -183460.0099 -149030.0826 299.4397 -19.0082 14.5243 556947.2044 19.1872 19.5494 PRESSURE: 1845200 97.8878 4.55642 -158.59 4.5557 -62.8951 46.5515 -158.59 46.552 -257.203 GPRESSURE: 1845200 192.485 1.76026 -142.438 -79.5035 -25.518 84.6449 -211.949 31.5493 -275.587 PRESSAVG: 1845200 -13.6762 -43.1963 -54.411 -43.1963 -20.5493 33.5604 -54.411 33.5603 -2.36681 GPRESSAVG: 1845200 -15.4224 -42.6158 -56.3891 -41.6235 -18.8463 32.0665 -51.8462 34.2206 -2.02931 TIMING: 1845200 CPU: 5510.46, 0.00299829/step Wall: 5510.46, 0.00299829/step, 2.6275 hours remaining, 208.000000 MB of memory in use. ENERGY: 1845200 736.1831 2019.2274 1938.6885 108.6529 -205979.1365 17649.2665 0.0000 0.0000 34351.4339 -149175.6842 299.9996 -183527.1180 -149075.3664 298.9743 -74.0701 -36.2068 558099.0898 -12.1974 -12.0993 PRESSURE: 1845400 182.718 -58.553 21.965 -58.5526 -18.8352 134.398 21.9645 134.399 -36.5554 GPRESSURE: 1845400 164.263 -148.902 -14.7386 7.89601 64.33 76.3832 36.5686 153.891 -18.7481 PRESSAVG: 1845400 24.5145 10.0209 2.52326 10.0209 45.4747 12.428 2.52326 12.428 -90.9204 GPRESSAVG: 1845400 26.0709 10.3824 3.87704 9.11552 45.8929 11.7278 1.3923 12.0971 -92.7596 TIMING: 1845400 CPU: 5511.06, 0.00302934/step Wall: 5511.06, 0.00302934/step, 2.65455 hours remaining, 208.000000 MB of memory in use. ENERGY: 1845400 722.0048 2087.8032 1927.2197 109.3447 -205769.9840 17549.4113 0.0000 0.0000 34120.5160 -149253.6843 297.9830 -183374.2003 -149152.0358 298.7596 42.4426 69.9483 556157.6732 -6.9771 -6.9319 PRESSURE: 1845600 -180.803 120.84 -102.202 120.841 -43.9162 -128.142 -102.203 -128.143 75.3089 GPRESSURE: 1845600 -167.594 99.5917 -67.356 120.472 -37.903 -161.68 -98.6145 -73.5364 134.875 PRESSAVG: 1845600 -26.0527 27.0573 -33.588 27.0573 27.7388 63.3101 -33.5878 63.31 29.5538 GPRESSAVG: 1845600 -26.0143 26.6312 -33.9415 26.8028 26.4274 65.0181 -33.0083 61.5813 30.9974 TIMING: 1845600 CPU: 5511.66, 0.00298465/step Wall: 5511.66, 0.00298465/step, 2.61521 hours remaining, 208.000000 MB of memory in use. ENERGY: 1845600 761.5865 2073.4867 1964.6214 121.1963 -206235.7291 17747.4241 0.0000 0.0000 34338.3861 -149229.0282 299.8857 -183567.4142 -149124.4882 298.9766 -49.8034 -23.5406 558276.5863 10.4133 10.4702 PRESSURE: 1845800 -52.6167 41.0217 -61.4547 41.0225 20.4066 -111.56 -61.455 -111.561 105.401 GPRESSURE: 1845800 -4.60411 22.9421 -50.3786 93.97 69.1953 -144.013 -99.4772 -122.431 102.813 PRESSAVG: 1845800 57.4829 21.3623 -7.20347 21.3623 -23.288 -16.417 -7.20341 -16.4171 -37.1008 GPRESSAVG: 1845800 57.4235 21.227 -5.81426 22.0279 -23.0633 -17.4035 -9.3434 -12.9533 -37.4025 TIMING: 1845800 CPU: 5512.26, 0.00300178/step Wall: 5512.26, 0.00300178/step, 2.63006 hours remaining, 208.000000 MB of memory in use. ENERGY: 1845800 763.8769 2057.5573 1944.5555 107.7212 -206386.8415 17895.2548 0.0000 0.0000 34385.7642 -149232.1114 300.2994 -183617.8756 -149133.4134 299.6943 24.3970 55.8014 557304.0507 -0.9686 -1.0141 PRESSURE: 1846000 -322.176 145.313 55.3228 145.314 -128.594 -140.828 55.3219 -140.829 -305.364 GPRESSURE: 1846000 -314.785 49.688 -10.1937 136.838 -109.278 -112.434 0.335949 -117.503 -250.1 PRESSAVG: 1846000 31.5569 -0.502398 -31.7485 -0.502441 12.3379 17.0728 -31.7486 17.0727 -49.9945 GPRESSAVG: 1846000 31.1155 -0.073402 -33.9189 -1.20443 12.9326 16.9356 -31.152 16.3228 -50.4513 TIMING: 1846000 CPU: 5512.86, 0.00299102/step Wall: 5512.86, 0.00299102/step, 2.62046 hours remaining, 208.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1846000 776.4127 2111.7914 1940.5353 117.6190 -205753.7024 17383.3335 0.0000 0.0000 34232.6950 -149191.3155 298.9626 -183424.0105 -149103.7969 299.1564 -252.0448 -224.7209 557212.2553 -2.0332 -2.1344 PRESSURE: 1846200 -118.034 121.348 26.0393 121.348 111.158 140.788 26.0384 140.788 44.7058 GPRESSURE: 1846200 -12.6593 124.585 130.169 164.706 167.355 132.197 22.236 114.563 -18.0781 PRESSAVG: 1846200 35.1313 4.0181 2.51203 4.01804 -2.35917 -57.1458 2.51206 -57.1459 -69.6501 GPRESSAVG: 1846200 35.2752 4.69696 3.91444 3.873 -3.18555 -56.1131 3.52651 -57.7759 -68.7132 TIMING: 1846200 CPU: 5513.45, 0.00297274/step Wall: 5513.45, 0.00297274/step, 2.60429 hours remaining, 208.000000 MB of memory in use. ENERGY: 1846200 776.9179 2055.6073 1947.4157 115.0218 -206340.8323 17783.5780 0.0000 0.0000 34385.7154 -149276.5763 300.2990 -183662.2917 -149184.4827 298.9363 12.6102 45.5390 557118.8078 -12.2927 -12.2078 PRESSURE: 1846400 -174.395 5.50651 -69.1252 5.50771 -201.165 -93.3915 -69.1262 -93.3919 124.417 GPRESSURE: 1846400 -137.48 7.12247 -73.7452 80.8638 -189.288 -88.6541 -15.8928 -33.0565 161.057 PRESSAVG: 1846400 -34.1202 34.7618 3.72355 34.7618 38.6541 -41.9361 3.72352 -41.936 -5.60801 GPRESSAVG: 1846400 -33.4601 34.7784 3.00388 35.2302 38.842 -41.4623 2.75425 -41.6982 -6.11586 TIMING: 1846400 CPU: 5514.05, 0.00299381/step Wall: 5514.05, 0.00299381/step, 2.62257 hours remaining, 208.000000 MB of memory in use. ENERGY: 1846400 769.0721 2118.6327 1941.8977 110.4326 -205842.9711 17749.6097 0.0000 0.0000 33930.9264 -149222.3998 296.3272 -183153.3262 -149127.5682 298.8676 -83.7144 -55.2370 558995.3141 -0.3580 -0.2447 PRESSURE: 1846600 388.684 -30.814 32.4348 -30.814 60.5263 -86.1789 32.4348 -86.1775 -148.448 GPRESSURE: 1846600 316.271 14.9467 39.0133 -88.108 159.198 0.294967 61.6671 -79.075 -83.0692 PRESSAVG: 1846600 30.0377 -15.1351 -9.52867 -15.1351 -0.821643 -16.237 -9.52867 -16.2369 -18.9785 GPRESSAVG: 1846600 29.0766 -16.5687 -10.1731 -15.0365 -0.0157226 -18.2599 -8.28198 -16.3698 -18.6958 TIMING: 1846600 CPU: 5514.65, 0.00298332/step Wall: 5514.65, 0.00298332/step, 2.61322 hours remaining, 208.000000 MB of memory in use. ENERGY: 1846600 770.3044 2134.0573 1954.3047 128.3939 -206406.6888 18004.7466 0.0000 0.0000 34263.0320 -149151.8498 299.2276 -183414.8819 -149059.0674 298.5771 100.2542 130.7998 556592.1405 3.4125 3.4550 PRESSURE: 1846800 64.9273 -64.2472 39.6642 -64.2475 -107.299 66.6397 39.664 66.6419 205.689 GPRESSURE: 1846800 155.018 -43.2249 65.656 -126.471 -88.9495 123.143 -8.28949 6.99102 199.026 PRESSAVG: 1846800 19.0494 13.5752 -57.1682 13.5753 -43.9968 2.9948 -57.1682 2.99477 -3.03461 GPRESSAVG: 1846800 20.4987 12.5689 -57.6338 11.6655 -44.3439 2.82122 -56.5784 2.58991 -4.0819 TIMING: 1846800 CPU: 5515.24, 0.00295228/step Wall: 5515.24, 0.00295228/step, 2.58587 hours remaining, 208.000000 MB of memory in use. ENERGY: 1846800 777.3703 2144.5653 1940.3863 116.4822 -206518.2362 18037.6619 0.0000 0.0000 34169.2555 -149332.5146 298.4086 -183501.7701 -149234.3014 299.1057 54.4390 88.3647 556000.3213 -9.3273 -9.3091 PRESSURE: 1847000 -236.257 95.1539 16.5983 95.1533 228.936 -120.084 16.6002 -120.086 -163.735 GPRESSURE: 1847000 -160.854 103.695 60.2067 84.296 249.405 -114.439 34.625 -175.463 -157.203 PRESSAVG: 1847000 -4.60809 6.67848 -3.72581 6.67856 -0.212136 29.0014 -3.72579 29.0015 32.5233 GPRESSAVG: 1847000 -6.14616 6.037 -3.86374 8.96752 -0.0354254 29.4294 -1.50552 28.1162 33.6753 TIMING: 1847000 CPU: 5515.83, 0.00296176/step Wall: 5515.83, 0.00296176/step, 2.59401 hours remaining, 208.000000 MB of memory in use. ENERGY: 1847000 757.8905 2075.1496 1947.4364 127.1269 -206054.7434 17546.1783 0.0000 0.0000 34444.0862 -149156.8753 300.8088 -183600.9615 -149061.0020 299.3739 -57.0185 -22.8839 556405.8715 9.2344 9.1646 PRESSURE: 1847200 -186.733 -127.365 29.7113 -127.364 -60.4009 26.7936 29.7115 26.7929 -203.738 GPRESSURE: 1847200 -196.772 -111.846 96.3132 -108.746 -0.601003 17.5658 -30.6008 112.45 -159.089 PRESSAVG: 1847200 -91.788 8.64384 -2.60337 8.64384 34.6728 28.6084 -2.60343 28.6085 33.183 GPRESSAVG: 1847200 -91.4773 9.89311 -0.439437 9.67641 35.0524 27.3324 -7.09251 31.0669 32.4684 TIMING: 1847200 CPU: 5516.42, 0.00296878/step Wall: 5516.42, 0.00296878/step, 2.59999 hours remaining, 208.000000 MB of memory in use. ENERGY: 1847200 751.4592 2075.3773 1967.9204 112.7934 -205500.1909 17370.5607 0.0000 0.0000 34184.1321 -149037.9479 298.5385 -183222.0800 -148941.0048 300.0488 -150.2904 -118.8208 556348.5471 -7.9774 -7.9855 PRESSURE: 1847400 -2.93397 148.806 32.8306 148.806 -74.0239 40.2071 32.8292 40.2077 -9.71541 GPRESSURE: 1847400 46.3327 195.868 12.2246 150.786 -36.9242 19.4821 5.81487 33.5903 -1.41195 PRESSAVG: 1847400 -2.67637 39.2323 4.93677 39.2323 7.54804 55.5028 4.93684 55.5028 -6.65406 GPRESSAVG: 1847400 -3.55283 39.3243 3.97921 39.7795 7.65719 55.4009 7.9111 54.403 -6.14171 TIMING: 1847400 CPU: 5517.02, 0.00298085/step Wall: 5517.02, 0.00298085/step, 2.6104 hours remaining, 208.000000 MB of memory in use. ENERGY: 1847400 744.6587 2098.8725 1995.8546 116.4385 -205957.9732 17676.3593 0.0000 0.0000 34348.8040 -148976.9857 299.9766 -183325.7896 -148885.1460 300.3668 -28.8911 2.6655 556560.9698 -0.5941 -0.6791 PRESSURE: 1847600 -77.3944 61.1965 -118.809 61.1972 86.3537 41.9514 -118.809 41.9507 371.363 GPRESSURE: 1847600 -1.84366 -3.25973 -57.9942 121.976 122.07 119.34 -120.608 -26.5965 357.954 PRESSAVG: 1847600 -48.5447 4.98438 0.603857 4.98442 -20.5013 26.6098 0.603869 26.6097 48.2235 GPRESSAVG: 1847600 -47.8066 6.43984 2.26741 1.7852 -20.4178 27.9428 -0.983015 27.3904 47.6451 TIMING: 1847600 CPU: 5517.62, 0.00299547/step Wall: 5517.62, 0.00299547/step, 2.62303 hours remaining, 208.000000 MB of memory in use. ENERGY: 1847600 745.9937 2103.6701 1934.0778 132.0178 -206284.9127 18029.2210 0.0000 0.0000 34351.0120 -148988.9204 299.9959 -183339.9323 -148895.0831 299.8250 126.7740 159.3936 558075.7234 -6.9408 -6.8598 PRESSURE: 1847800 -32.1421 -82.4174 251.508 -82.4172 -164.482 218.897 251.508 218.898 -30.3338 GPRESSURE: 1847800 -17.3706 -15.6062 241.074 -39.9434 -131.818 252.504 243.016 177.144 21.1809 PRESSAVG: 1847800 17.7603 25.2354 24.0671 25.2354 13.0781 -9.49866 24.0671 -9.49864 -18.2582 GPRESSAVG: 1847800 17.8155 25.4137 24.2974 25.1908 12.7669 -9.63395 24.0947 -8.69502 -18.4582 TIMING: 1847800 CPU: 5518.22, 0.00298181/step Wall: 5518.22, 0.00298181/step, 2.6109 hours remaining, 208.000000 MB of memory in use. ENERGY: 1847800 755.3747 2115.1185 1946.3200 117.6461 -205747.0837 17583.2447 0.0000 0.0000 34292.5226 -148936.8571 299.4851 -183229.3797 -148843.5142 300.3787 -75.6528 -42.6692 556676.4826 4.1934 4.0414 PRESSURE: 1848000 -86.6758 38.0142 -37.6853 38.0142 -204.734 140.569 -37.6862 140.568 -44.7224 GPRESSURE: 1848000 -46.3938 45.5781 -93.4049 -3.76134 -171.452 39.5266 -28.8604 180.533 -23.9309 PRESSAVG: 1848000 37.6244 -37.3273 -19.0347 -37.3273 -28.9897 -0.714831 -19.0347 -0.714896 7.89456 GPRESSAVG: 1848000 36.7742 -36.6537 -20.0352 -37.1196 -28.7112 0.298838 -17.5045 -2.23134 7.49002 TIMING: 1848000 CPU: 5518.81, 0.00295421/step Wall: 5518.81, 0.00295421/step, 2.58658 hours remaining, 208.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1848000 692.9327 2056.1765 1942.0928 113.4182 -205744.9291 17528.6374 0.0000 0.0000 34334.4643 -149077.2073 299.8514 -183411.6716 -148977.2996 299.4724 -112.0441 -80.5921 557824.6108 5.5097 5.1844 PRESSURE: 1848200 -26.0227 39.865 -86.7774 39.8655 -124.231 76.3173 -86.7772 76.3171 48.0307 GPRESSURE: 1848200 40.4218 4.80179 -84.987 40.5859 -67.1305 63.6001 -76.9157 65.3202 31.8217 PRESSAVG: 1848200 80.7928 43.593 -27.6881 43.593 -24.8996 -19.0961 -27.6883 -19.0961 -63.7632 GPRESSAVG: 1848200 80.0543 41.54 -27.1442 43.3759 -24.623 -20.2884 -29.0988 -19.9656 -63.5383 TIMING: 1848200 CPU: 5519.4, 0.00296358/step Wall: 5519.4, 0.00296358/step, 2.59461 hours remaining, 208.000000 MB of memory in use. ENERGY: 1848200 744.9668 2127.6339 1953.2293 113.9537 -205980.0503 17779.8159 0.0000 0.0000 34308.9739 -148951.4768 299.6288 -183260.4506 -148855.3836 300.0969 -34.0742 1.7044 556910.9281 -2.6233 -2.7023 LDB: ============= START OF LOAD BALANCING ============== 5522.95 LDB: ============== END OF LOAD BALANCING =============== 5522.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5522.95 LDB: ============= START OF LOAD BALANCING ============== 5523.25 LDB: Largest compute 4773 load 0.026026 is 22.0% of average load 0.118206 LDB: Average compute 0.001720 is 1.5% of average load 0.118206 LDB: TIME 5523.25 LOAD: AVG 0.118206 MAX 0.210405 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.855 MB LDB: TIME 5523.25 LOAD: AVG 0.118206 MAX 0.210405 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.855 MB LDB: TIME 5523.25 LOAD: AVG 0.118206 MAX 0.210405 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.855 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5523.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5523.26 PRESSURE: 1848400 -162.652 69.1492 -17.7532 69.1488 -313.469 -133.818 -17.7521 -133.817 -257.478 GPRESSURE: 1848400 -135.75 -25.9604 -45.9411 106.866 -293.279 -118.537 -17.3423 6.66932 -216.05 PRESSAVG: 1848400 27.1455 0.170595 -70.3229 0.170639 -4.3753 -11.0761 -70.3229 -11.0761 10.3518 GPRESSAVG: 1848400 29.1595 -0.574583 -69.7994 1.23329 -5.97608 -10.916 -69.2501 -8.60566 10.1675 TIMING: 1848400 CPU: 5520.01, 0.00303264/step Wall: 5520.01, 0.00303264/step, 2.65491 hours remaining, 206.648438 MB of memory in use. ENERGY: 1848400 728.8757 2055.4001 1968.4400 118.8053 -205602.6198 17499.3993 0.0000 0.0000 34426.5219 -148805.1774 300.6554 -183231.6993 -148709.7993 300.1352 -244.5332 -215.0264 558907.9838 11.0406 11.1170 PRESSURE: 1848600 119.794 -37.8571 158.123 -37.8568 4.3485 -139.132 158.124 -139.134 -85.0286 GPRESSURE: 1848600 101.96 20.0539 158.084 -88.051 96.2009 -113.539 163.73 -199.341 -68.2804 PRESSAVG: 1848600 -12.9874 66.6634 -17.8436 66.6634 -55.1103 19.0487 -17.8436 19.0486 35.0684 GPRESSAVG: 1848600 -14.589 68.4935 -19.2787 66.7238 -53.1751 19.7156 -16.6628 16.7582 35.0818 TIMING: 1848600 CPU: 5520.6, 0.00296083/step Wall: 5520.6, 0.00296083/step, 2.59188 hours remaining, 206.648438 MB of memory in use. ENERGY: 1848600 742.2078 2069.1812 1932.5992 112.9364 -206061.2358 17693.0932 0.0000 0.0000 34427.1088 -149084.1091 300.6605 -183511.2179 -148991.1473 300.3881 13.0380 43.2933 557746.6536 -11.0098 -10.8941 PRESSURE: 1848800 100.46 74.0314 -9.26692 74.0323 40.0557 -78.0375 -9.26565 -78.0371 175.252 GPRESSURE: 1848800 169.855 54.5467 42.8827 110.661 48.5368 -121.588 5.79095 -108.567 190.232 PRESSAVG: 1848800 45.642 6.61198 -27.4242 6.61195 8.24988 -42.3047 -27.4243 -42.3047 5.04447 GPRESSAVG: 1848800 46.6115 5.19265 -26.8725 8.28509 7.03531 -42.8001 -28.1589 -41.5388 5.81401 TIMING: 1848800 CPU: 5521.19, 0.00297739/step Wall: 5521.19, 0.00297739/step, 2.60621 hours remaining, 206.648438 MB of memory in use. ENERGY: 1848800 720.7306 2073.1201 1912.2437 109.9493 -205861.3746 17684.0568 0.0000 0.0000 34185.9842 -149175.2900 298.5547 -183361.2742 -149079.0784 299.3339 105.2561 136.2078 557234.0976 19.6455 19.8203 PRESSURE: 1849000 183.207 -27.9178 -68.4684 -27.9167 83.1152 -84.1369 -68.47 -84.1348 -52.4743 GPRESSURE: 1849000 214.936 -14.4219 -192.82 -84.7694 138.455 -116.759 -34.9456 -98.8191 -31.7574 PRESSAVG: 1849000 -1.93588 -10.0779 -50.0442 -10.0779 -6.25898 -49.8575 -50.0442 -49.8576 -2.32644 GPRESSAVG: 1849000 -2.42944 -11.827 -50.3868 -9.74236 -5.04407 -52.3987 -50.0274 -49.6404 -2.68093 TIMING: 1849000 CPU: 5521.79, 0.00297328/step Wall: 5521.79, 0.00297328/step, 2.60245 hours remaining, 206.648438 MB of memory in use. ENERGY: 1849000 729.7739 2106.0734 1952.7754 108.0113 -206174.0023 17811.8131 0.0000 0.0000 34252.3730 -149213.1822 299.1345 -183465.5552 -149114.8122 299.4980 71.2826 107.2112 555880.3821 -3.5071 -3.3848 PRESSURE: 1849200 -135.957 115.345 12.8015 115.345 -92.3388 -18.3165 12.8015 -18.316 86.7426 GPRESSURE: 1849200 -143.306 126.841 76.6207 90.3123 -27.7237 -40.5154 51.9799 8.44937 126.651 PRESSAVG: 1849200 -49.3134 9.80337 -42.5406 9.80325 6.07161 -50.9645 -42.5406 -50.9646 3.91546 GPRESSAVG: 1849200 -48.8943 12.3609 -39.2345 7.81513 5.28341 -47.678 -43.6873 -51.6305 4.68917 TIMING: 1849200 CPU: 5522.38, 0.0029635/step Wall: 5522.38, 0.0029635/step, 2.59372 hours remaining, 206.648438 MB of memory in use. ENERGY: 1849200 747.4472 2134.8256 1952.7874 105.3134 -206501.3746 17792.7878 0.0000 0.0000 34486.1034 -149282.1097 301.1757 -183768.2132 -149179.4099 298.8040 -47.1844 -14.7927 555654.8515 -13.1088 -12.9739 PRESSURE: 1849400 101.805 73.7521 33.0898 73.753 -230.929 -138.234 33.0905 -138.23 172.102 GPRESSURE: 1849400 114.916 15.1506 92.6503 51.1547 -226.846 -68.2122 -29.2727 -101.743 244.861 PRESSAVG: 1849400 14.5057 39.4918 12.8212 39.4918 -62.6233 23.2099 12.8212 23.2099 35.2068 GPRESSAVG: 1849400 15.3908 39.1517 11.6191 38.381 -62.9945 20.7564 13.6632 25.8878 35.0175 TIMING: 1849400 CPU: 5522.97, 0.0029502/step Wall: 5522.97, 0.0029502/step, 2.58191 hours remaining, 206.648438 MB of memory in use. ENERGY: 1849400 759.6779 2103.9183 1954.1567 115.6131 -206654.5378 17942.3332 0.0000 0.0000 34478.3867 -149300.4519 301.1083 -183778.8386 -149203.7032 299.3721 14.3261 44.3102 557138.7435 -4.3036 -4.1954 PRESSURE: 1849600 -132.83 -118.192 -126.486 -118.191 24.4614 24.7093 -126.485 24.7114 -137.866 GPRESSURE: 1849600 -85.9329 -112.07 -135.544 -185.42 42.957 69.4812 -93.0339 -32.321 -94.1198 PRESSAVG: 1849600 44.3484 -12.9663 8.68023 -12.9663 29.3077 -10.133 8.68022 -10.1329 -43.8675 GPRESSAVG: 1849600 45.3404 -12.298 7.84513 -10.3374 29.0979 -11.1967 7.63449 -11.8418 -45.1671 TIMING: 1849600 CPU: 5523.56, 0.00294824/step Wall: 5523.56, 0.00294824/step, 2.58004 hours remaining, 206.648438 MB of memory in use. ENERGY: 1849600 752.8975 2127.6469 1928.5339 110.2331 -206279.7028 17750.6844 0.0000 0.0000 34249.5874 -149360.1196 299.1102 -183609.7070 -149253.3434 299.1622 -82.0781 -45.6985 557730.6122 9.9295 9.7571 PRESSURE: 1849800 64.4174 -220.749 -6.66631 -220.748 -106.62 -9.68821 -6.66584 -9.68789 62.706 GPRESSURE: 1849800 110.677 -244.756 -71.5459 -180.367 -91.3676 -24.8345 29.8938 -38.8507 107.665 PRESSAVG: 1849800 71.9943 -8.75503 45.6658 -8.75504 -21.7251 -8.50942 45.6657 -8.50942 -59.5677 GPRESSAVG: 1849800 71.0874 -11.3015 44.9521 -9.20398 -19.9084 -6.53336 47.3357 -7.60964 -60.0725 TIMING: 1849800 CPU: 5524.16, 0.00297905/step Wall: 5524.16, 0.00297905/step, 2.60683 hours remaining, 206.648438 MB of memory in use. ENERGY: 1849800 732.6206 2143.9693 1915.7841 120.4754 -206049.9624 17761.1068 0.0000 0.0000 34134.9564 -149241.0498 298.1091 -183376.0062 -149150.8435 299.1988 6.8345 42.3248 557636.3415 -3.0995 -2.9645 PRESSURE: 1850000 54.386 -97.6998 -46.028 -97.7006 -424.623 -116.521 -46.0268 -116.521 -521.414 GPRESSURE: 1850000 79.3534 -101.096 -5.49436 -126.624 -376.444 -239.365 -33.5288 -36.647 -500.379 PRESSAVG: 1850000 24.6536 -63.1137 35.4891 -63.1136 49.0114 -19.1729 35.4891 -19.1727 -59.4942 GPRESSAVG: 1850000 23.0156 -62.4098 37.6545 -63.8646 49.1992 -18.8485 36.6983 -20.747 -58.0406 TIMING: 1850000 CPU: 5524.76, 0.00300305/step Wall: 5524.76, 0.00300305/step, 2.62767 hours remaining, 206.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1850000 733.6500 2163.7138 1920.7357 111.9068 -205761.2074 17311.4656 0.0000 0.0000 34238.0993 -149281.6361 299.0098 -183519.7354 -149181.4385 299.3764 -297.2170 -265.8232 558310.6047 4.7236 4.7248 PRESSURE: 1850200 -222.502 -244.783 177.271 -244.783 -90.1654 -21.8238 177.271 -21.8224 -171.37 GPRESSURE: 1850200 -165.596 -203.31 158.69 -169.797 -88.9143 36.6802 110.365 -9.05546 -134.649 PRESSAVG: 1850200 -21.4919 -14.8866 40.8464 -14.8866 10.472 -25.1788 40.8464 -25.1789 11.2215 GPRESSAVG: 1850200 -19.915 -14.7316 39.8533 -15.6215 9.21843 -25.0123 40.0759 -24.8666 10.626 TIMING: 1850200 CPU: 5525.36, 0.00300097/step Wall: 5525.36, 0.00300097/step, 2.62568 hours remaining, 206.648438 MB of memory in use. ENERGY: 1850200 745.1553 2132.2770 1921.1005 112.1638 -206093.8413 17544.8566 0.0000 0.0000 34470.9626 -149167.3255 301.0435 -183638.2881 -149072.5061 299.2043 -161.3460 -129.7198 557332.3487 0.0672 -0.0235 PRESSURE: 1850400 -216.619 100.374 17.8094 100.374 -19.4328 79 17.8099 78.9994 -264.286 GPRESSURE: 1850400 -186.65 51.5505 71.7397 40.3504 -8.01222 76.8046 -58.5923 133.72 -226.168 PRESSAVG: 1850400 -63.0139 -48.9567 47.8402 -48.9567 47.3927 60.2173 47.8402 60.2173 5.26174 GPRESSAVG: 1850400 -63.3012 -49.1909 47.0557 -47.869 45.8602 60.6659 47.7309 60.0351 6.61262 TIMING: 1850400 CPU: 5525.95, 0.00297428/step Wall: 5525.95, 0.00297428/step, 2.60216 hours remaining, 206.648438 MB of memory in use. ENERGY: 1850400 736.2260 2136.8056 1938.4270 124.0141 -205825.6297 17486.5611 0.0000 0.0000 34245.7046 -149157.8914 299.0763 -183403.5960 -149057.3777 299.1693 -166.7791 -140.2766 558231.2271 -3.4532 -3.6095 PRESSURE: 1850600 -243.202 54.5778 -131.984 54.578 71.1345 92.0329 -131.984 92.0334 -406.768 GPRESSURE: 1850600 -212.981 39.2141 -57.855 76.3561 112.94 34.8609 -176.871 136.113 -382.957 PRESSAVG: 1850600 -9.23867 37.941 38.9991 37.941 -5.36701 -28.4352 38.9991 -28.4353 -36.6024 GPRESSAVG: 1850600 -9.42797 39.448 39.8443 39.1082 -3.86821 -29.6201 38.9061 -26.8369 -37.8702 TIMING: 1850600 CPU: 5526.55, 0.00298395/step Wall: 5526.55, 0.00298395/step, 2.61046 hours remaining, 206.648438 MB of memory in use. ENERGY: 1850600 711.9938 2151.8388 1932.6337 119.2291 -205542.1199 17416.4934 0.0000 0.0000 34136.5059 -149073.4253 298.1226 -183209.9312 -148982.0852 299.7297 -192.9451 -160.9991 558402.4723 -17.0694 -17.0554 PRESSURE: 1850800 1.23201 -78.0547 127.877 -78.055 -30.0408 198.663 127.876 198.664 -9.9592 GPRESSURE: 1850800 41.48 -125.831 158.97 -132.127 2.69988 238.183 145.991 188.561 23.4992 PRESSAVG: 1850800 -48.8488 -37.6792 33.5317 -37.6793 54.6524 8.01451 33.5319 8.01443 -52.8981 GPRESSAVG: 1850800 -48.7228 -36.2688 33.6034 -39.2698 54.6678 10.3131 34.199 6.86202 -53.0617 TIMING: 1850800 CPU: 5527.15, 0.00298533/step Wall: 5527.15, 0.00298533/step, 2.6115 hours remaining, 206.648438 MB of memory in use. ENERGY: 1850800 752.4298 2087.9432 1921.2831 119.4392 -206403.3192 17908.7736 0.0000 0.0000 34279.6484 -149333.8019 299.3727 -183613.4502 -149234.6115 299.4047 -12.9227 22.5597 557878.1570 -15.6982 -15.7056 PRESSURE: 1851000 -210.395 -13.3922 -0.977215 -13.3923 160.211 -75.981 -0.977643 -75.9821 14.3782 GPRESSURE: 1851000 -139.741 15.488 -43.1597 -4.47162 177.209 -45.5861 24.6724 -52.1442 22.3407 PRESSAVG: 1851000 20.752 -64.9329 21.6623 -64.9329 -22.0518 49.3816 21.6623 49.3816 25.2674 GPRESSAVG: 1851000 22.0539 -67.2859 25.0575 -64.2799 -22.8476 49.3606 16.8098 50.2892 24.7485 TIMING: 1851000 CPU: 5527.74, 0.00298077/step Wall: 5527.74, 0.00298077/step, 2.60735 hours remaining, 206.648438 MB of memory in use. ENERGY: 1851000 702.3675 2108.9546 1945.8661 109.5227 -206066.2434 17679.7916 0.0000 0.0000 34300.3939 -149219.3470 299.5539 -183519.7409 -149124.8871 299.5694 -11.9354 19.9360 557650.2293 7.9892 7.9850 PRESSURE: 1851200 73.0945 15.8301 8.33847 15.8303 -83.8739 -7.58292 8.33836 -7.58241 -127.035 GPRESSURE: 1851200 96.3143 -27.9398 32.3992 71.9564 -53.963 -46.1545 -19.4201 -6.08407 -90.7526 PRESSAVG: 1851200 7.36729 5.56058 45.0233 5.56057 5.03245 23.0835 45.0234 23.0834 14.464 GPRESSAVG: 1851200 5.8868 5.51428 42.404 6.5985 6.62414 23.2519 49.2435 22.0287 13.8863 TIMING: 1851200 CPU: 5528.33, 0.00295942/step Wall: 5528.33, 0.00295942/step, 2.5885 hours remaining, 206.648438 MB of memory in use. ENERGY: 1851200 712.1277 2103.1176 1922.0075 111.3175 -206271.8625 17812.9651 0.0000 0.0000 34443.6658 -149166.6612 300.8051 -183610.3270 -149068.7474 299.7590 -45.9380 -16.1338 557846.0915 8.9546 8.7991 PRESSURE: 1851400 89.5628 -40.7038 -43.1629 -40.7045 58.2957 -75.7815 -43.1619 -75.7817 -154.945 GPRESSURE: 1851400 106.374 -108.176 0.779461 26.3388 55.157 -124.648 -19.5125 -38.7939 -81.6142 PRESSAVG: 1851400 -56.8574 -40.0997 43.1891 -40.0997 16.536 -3.63483 43.1891 -3.63474 34.2677 GPRESSAVG: 1851400 -56.7514 -39.1901 42.2902 -41.3993 15.9125 -4.11286 43.4349 -4.23613 35.3922 TIMING: 1851400 CPU: 5528.93, 0.00300308/step Wall: 5528.93, 0.00300308/step, 2.62653 hours remaining, 206.648438 MB of memory in use. ENERGY: 1851400 742.0492 2184.2037 1932.3720 114.1039 -206164.0764 17773.5067 0.0000 0.0000 34077.3673 -149340.4735 297.6061 -183417.8409 -149240.5220 299.0894 -2.3620 26.6389 557710.0852 -2.0179 -1.8155 PRESSURE: 1851600 -276.265 -161 -160.296 -161.002 -162.777 118.672 -160.296 118.672 -271.573 GPRESSURE: 1851600 -211.861 -157.036 -146.975 -145.412 -185.032 85.2658 -114.882 143.948 -203.223 PRESSAVG: 1851600 -26.5855 -58.0702 -38.2993 -58.0703 27.5918 19.9522 -38.2992 19.9521 13.565 GPRESSAVG: 1851600 -25.947 -57.386 -38.6703 -58.9385 28.4606 18.4405 -37.0132 21.2786 12.1929 TIMING: 1851600 CPU: 5529.54, 0.00301286/step Wall: 5529.54, 0.00301286/step, 2.63491 hours remaining, 206.648438 MB of memory in use. ENERGY: 1851600 769.3775 2050.9634 1910.1175 112.8930 -205610.2404 17378.6823 0.0000 0.0000 34315.2409 -149072.9657 299.6835 -183388.2066 -148973.2532 299.3977 -236.8715 -200.0389 558466.2327 4.8571 4.9022 PRESSURE: 1851800 -314.502 -28.2644 120.048 -28.2639 -150.025 14.9879 120.047 14.9881 -77.8264 GPRESSURE: 1851800 -237.696 -40.0997 140.214 -27.8483 -92.5782 8.94983 84.6156 44.2803 -125.357 PRESSAVG: 1851800 -5.55351 -16.7974 -34.5521 -16.7975 71.6308 27.886 -34.5522 27.8861 -36.0993 GPRESSAVG: 1851800 -3.97533 -17.7565 -31.5613 -14.9591 69.4859 29.9534 -37.5681 29.7605 -35.3637 TIMING: 1851800 CPU: 5530.13, 0.00295607/step Wall: 5530.13, 0.00295607/step, 2.58508 hours remaining, 206.648438 MB of memory in use. ENERGY: 1851800 733.8012 2076.4956 1932.2850 101.8032 -205955.6289 17598.5337 0.0000 0.0000 34206.4462 -149306.2640 298.7334 -183512.7103 -149206.8714 299.5274 -180.7846 -151.8772 558164.9748 9.9926 10.0489 PRESSURE: 1852000 -90.2445 -18.7186 -58.2121 -18.7201 0.236309 -11.1576 -58.2112 -11.1585 -339.56 GPRESSURE: 1852000 -58.692 -100.204 -23.6249 -29.5345 19.2718 -2.90737 -55.6761 -48.3665 -288.872 PRESSAVG: 1852000 0.31997 -12.3267 -0.382423 -12.3268 -66.6184 50.2163 -0.382335 50.2162 64.3532 GPRESSAVG: 1852000 -1.30686 -13.085 -5.24574 -11.0958 -64.6167 52.3797 2.57032 48.0067 63.8646 TIMING: 1852000 CPU: 5530.72, 0.0029594/step Wall: 5530.72, 0.0029594/step, 2.58783 hours remaining, 206.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1852000 721.1218 2058.6187 1926.9060 103.1918 -205632.1619 17498.8457 0.0000 0.0000 34120.6557 -149202.8222 297.9842 -183323.4779 -149104.5432 298.7099 -143.1895 -109.4308 558319.2805 -0.6484 -0.6863 PRESSURE: 1852200 129.149 21.157 28.1989 21.1558 -75.1165 25.1639 28.1995 25.1637 43.7152 GPRESSURE: 1852200 140.839 4.31386 52.4605 82.0737 -79.7052 -28.6057 14.4158 45.2964 136.811 PRESSAVG: 1852200 2.66287 -1.40169 36.277 -1.40163 -11.4294 39.5214 36.2769 39.5212 24.2374 GPRESSAVG: 1852200 2.27216 -0.645764 40.3607 -2.06203 -11.2594 38.5914 32.7251 39.7266 24.0488 TIMING: 1852200 CPU: 5531.31, 0.0029686/step Wall: 5531.31, 0.0029686/step, 2.59571 hours remaining, 206.714844 MB of memory in use. ENERGY: 1852200 735.8798 2148.5084 1919.6697 122.1461 -206015.7004 17679.9393 0.0000 0.0000 34217.8258 -149191.7312 298.8328 -183409.5570 -149103.9570 299.0326 32.5825 65.9818 556330.4638 5.1570 5.0205 LDB: ============= START OF LOAD BALANCING ============== 5534.86 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5534.86 LDB: =============== DONE WITH MIGRATION ================ 5534.86 LDB: ============= START OF LOAD BALANCING ============== 5535.16 LDB: Largest compute 4796 load 0.026505 is 22.4% of average load 0.118206 LDB: Average compute 0.001723 is 1.5% of average load 0.118206 LDB: TIME 5535.17 LOAD: AVG 0.118206 MAX 0.211942 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 5535.17 LOAD: AVG 0.118206 MAX 0.211942 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 5535.17 LOAD: AVG 0.118206 MAX 0.211942 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5535.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5535.17 PRESSURE: 1852400 -161.096 173.347 -16.7939 173.348 -16.6055 66.3631 -16.7945 66.3625 -19.893 GPRESSURE: 1852400 -153.549 152.021 -26.7605 213.753 62.9817 23.0488 -51.7007 14.6533 -13.0627 PRESSAVG: 1852400 -5.6016 17.9009 46.2471 17.9009 15.4165 20.05 46.2473 20.05 -16.699 GPRESSAVG: 1852400 -5.36244 15.5014 44.8212 19.5552 15.2197 18.0945 47.7709 21.2102 -16.8695 TIMING: 1852400 CPU: 5531.92, 0.00304855/step Wall: 5531.92, 0.00304855/step, 2.66545 hours remaining, 207.226562 MB of memory in use. ENERGY: 1852400 754.0000 2068.2188 1933.8408 96.8975 -205596.1918 17424.4755 0.0000 0.0000 34206.3179 -149112.4414 298.7323 -183318.7593 -149011.9266 299.4211 -65.8648 -34.5432 558066.6210 -2.2947 -2.3374 PRESSURE: 1852600 -70.5557 -29.8545 5.62665 -29.8546 101.369 -37.4544 5.62668 -37.4542 147.257 GPRESSURE: 1852600 -31.9591 -19.1367 -21.5035 -5.39261 143.498 -33.3345 70.0568 -50.209 159.451 PRESSAVG: 1852600 -0.958693 -5.07942 -13.3452 -5.07942 8.87447 -6.64112 -13.3452 -6.64096 16.5582 GPRESSAVG: 1852600 -1.76738 -5.5447 -15.3976 -5.41436 8.15975 -7.71098 -11.1781 -6.24873 18.3973 TIMING: 1852600 CPU: 5532.52, 0.00299285/step Wall: 5532.52, 0.00299285/step, 2.61658 hours remaining, 207.226562 MB of memory in use. ENERGY: 1852600 756.4894 2099.8543 1928.5492 111.0550 -206127.2936 18095.7961 0.0000 0.0000 34229.3531 -148906.1965 298.9335 -183135.5496 -148810.2920 299.6054 59.3567 90.3302 559838.7334 8.1580 8.2632 PRESSURE: 1852800 318.872 29.4292 -87.8103 29.4292 26.4615 -21.8881 -87.8089 -21.8875 257.432 GPRESSURE: 1852800 357.081 42.6765 -95.2064 19.2269 100.158 -55.1564 -99.6446 -12.5286 232.89 PRESSAVG: 1852800 32.2808 31.1801 -66.4384 31.1801 -62.2811 -7.13625 -66.4384 -7.13619 82.2039 GPRESSAVG: 1852800 33.4893 33.4843 -63.485 30.4416 -62.9061 -6.48659 -67.9943 -7.18342 81.3935 TIMING: 1852800 CPU: 5533.12, 0.00299906/step Wall: 5533.12, 0.00299906/step, 2.62184 hours remaining, 207.226562 MB of memory in use. ENERGY: 1852800 707.4803 2042.3191 1933.1736 107.5557 -205944.0727 17831.7061 0.0000 0.0000 34252.1704 -149069.6676 299.1327 -183321.8380 -148973.2220 299.3213 200.9219 230.0431 556124.2064 17.4012 17.3255 PRESSURE: 1853000 60.3511 301.348 -36.2824 301.347 265.195 -40.9452 -36.2836 -40.9439 16.401 GPRESSURE: 1853000 174.202 246.135 -28.7677 280.319 280.65 -29.5599 29.8104 -57.8135 -24.5689 PRESSAVG: 1853000 -17.3131 22.6833 7.32687 22.6833 33.1586 -13.2793 7.32685 -13.2793 -32.8612 GPRESSAVG: 1853000 -17.8224 23.4156 8.32635 20.6913 33.8642 -12.9728 6.34858 -14.5455 -33.5277 TIMING: 1853000 CPU: 5533.72, 0.00298985/step Wall: 5533.72, 0.00298985/step, 2.61363 hours remaining, 207.226562 MB of memory in use. ENERGY: 1853000 744.3910 2069.4001 1940.4293 112.5592 -206239.2364 18044.6925 0.0000 0.0000 34243.4290 -149084.3351 299.0564 -183327.7642 -148985.5773 299.3952 113.9824 143.4278 556971.4198 -5.6719 -5.8287 PRESSURE: 1853200 -212.516 256.439 86.4353 256.438 210.806 16.7618 86.4344 16.7615 -263.016 GPRESSURE: 1853200 -205.315 222.435 -36.3249 350.08 217.024 53.4283 190.772 -28.5618 -184.628 PRESSAVG: 1853200 -23.9591 0.396625 6.62111 0.396646 53.3575 -31.8507 6.62106 -31.8507 -18.6048 GPRESSAVG: 1853200 -25.1171 0.815512 2.89439 0.274704 52.69 -31.5821 7.69432 -32.2528 -17.1525 TIMING: 1853200 CPU: 5534.32, 0.00299461/step Wall: 5534.32, 0.00299461/step, 2.61762 hours remaining, 207.226562 MB of memory in use. ENERGY: 1853200 745.0409 2081.1810 1939.7191 108.1815 -206019.1602 17679.0635 0.0000 0.0000 34425.3405 -149040.6338 300.6451 -183465.9743 -148949.3851 299.2729 -88.2421 -57.6396 557935.4982 3.5979 3.4735 PRESSURE: 1853400 91.8668 -98.9377 -89.4228 -98.9381 -46.4999 -84.3607 -89.4233 -84.3619 -135.876 GPRESSURE: 1853400 109.299 -17.3669 -99.1451 -89.5548 -14.3894 -135.543 -27.1121 -28.4936 -82.1945 PRESSAVG: 1853400 44.1823 -33.5193 -33.6631 -33.5194 -31.6222 15.1285 -33.6632 15.1285 -22.3811 GPRESSAVG: 1853400 45.3805 -36.3939 -32.6999 -30.5158 -32.21 15.8589 -32.765 15.5724 -23.5648 TIMING: 1853400 CPU: 5534.92, 0.00298394/step Wall: 5534.92, 0.00298394/step, 2.60813 hours remaining, 207.226562 MB of memory in use. ENERGY: 1853400 752.9953 2065.3421 1936.7634 117.7303 -206117.8579 17867.5600 0.0000 0.0000 34293.2017 -149084.2651 299.4911 -183377.4669 -148985.1519 299.2028 -30.1696 4.2382 557848.4903 -3.2737 -3.4647 PRESSURE: 1853600 -144.361 143.482 -133.457 143.481 119.498 28.2113 -133.457 28.2123 -205.512 GPRESSURE: 1853600 -76.1819 306.017 -77.6274 101.639 134.182 28.3461 -133.211 40.8474 -185.755 PRESSAVG: 1853600 5.09947 29.4403 -7.77492 29.4404 3.65142 -65.4473 -7.77502 -65.4473 -10.2926 GPRESSAVG: 1853600 4.37124 31.3246 -6.91055 28.3391 3.11122 -66.9808 -8.45151 -65.0012 -9.63338 TIMING: 1853600 CPU: 5535.51, 0.00297132/step Wall: 5535.51, 0.00297132/step, 2.59693 hours remaining, 207.226562 MB of memory in use. ENERGY: 1853600 741.2328 2066.3987 1965.6771 101.0973 -205613.2324 17565.0161 0.0000 0.0000 34142.0564 -149031.7539 298.1711 -183173.8103 -148937.5789 299.4641 -76.7919 -42.5849 557595.3690 -0.5139 -0.7170 PRESSURE: 1853800 -146.422 3.61709 192.632 3.61691 111.748 -208.516 192.631 -208.515 8.71654 GPRESSURE: 1853800 -53.7883 -33.6662 160.497 40.3505 101.063 -161.709 193.022 -266.985 26.5607 PRESSAVG: 1853800 -17.0096 23.6891 16.9667 23.6891 -14.6681 -27.1309 16.9666 -27.1309 13.1954 GPRESSAVG: 1853800 -16.086 24.4968 18.2156 23.4612 -13.9873 -27.2543 15.9019 -28.1848 11.6583 TIMING: 1853800 CPU: 5536.11, 0.00299977/step Wall: 5536.11, 0.00299977/step, 2.62163 hours remaining, 207.226562 MB of memory in use. ENERGY: 1853800 776.0078 2082.9321 1932.6781 103.1786 -206038.4084 17758.0924 0.0000 0.0000 34355.0794 -149030.4401 300.0315 -183385.5195 -148938.0392 299.2278 -8.6525 24.6120 557609.1353 -6.1608 -6.1384 PRESSURE: 1854000 160.869 21.9317 5.12233 21.9327 133.685 120.154 5.12285 120.156 232.246 GPRESSURE: 1854000 174.684 47.629 21.628 2.76376 145.459 155.996 -49.0965 111.077 301.654 PRESSAVG: 1854000 -16.5018 20.7936 -4.28989 20.7936 -104.235 4.08489 -4.28999 4.08499 113.788 GPRESSAVG: 1854000 -16.0365 21.8758 -6.03903 20.9924 -105.77 5.60429 -4.18364 4.79599 114.551 TIMING: 1854000 CPU: 5536.7, 0.00297241/step Wall: 5536.7, 0.00297241/step, 2.59755 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1854000 711.5817 2127.4994 1938.1714 114.7379 -206356.4793 17996.3551 0.0000 0.0000 34390.3044 -149077.8294 300.3391 -183468.1338 -148979.2462 300.0740 175.6002 207.2655 557827.9209 -2.3162 -2.4185 PRESSURE: 1854200 14.4521 -23.6332 -155.306 -23.6338 -171.281 -4.09007 -155.308 -4.08974 -122.034 GPRESSURE: 1854200 49.4917 -71.2457 -213.492 45.3456 -155.85 -29.0553 -145.411 -37.1941 -78.6447 PRESSAVG: 1854200 14.5497 -0.304913 49.0651 -0.30495 11.1386 -9.31608 49.0651 -9.31618 -14.8114 GPRESSAVG: 1854200 13.4985 -0.956612 48.9545 0.744044 12.3954 -11.8218 48.6049 -7.69554 -15.5244 TIMING: 1854200 CPU: 5537.3, 0.00295575/step Wall: 5537.3, 0.00295575/step, 2.58284 hours remaining, 207.226562 MB of memory in use. ENERGY: 1854200 749.2236 2090.5741 1941.3739 128.6602 -205792.0692 17729.5681 0.0000 0.0000 34035.1956 -149117.4738 297.2378 -183152.6694 -149024.9060 299.2902 -92.9543 -61.6675 559503.7932 3.6256 3.4565 PRESSURE: 1854400 -199.145 -93.7893 151.542 -93.7893 105.534 -15.067 151.542 -15.0672 -166.951 GPRESSURE: 1854400 -114.793 -69.3575 149.896 -74.9933 78.914 -84.3313 45.3558 93.1705 -123.414 PRESSAVG: 1854400 20.6418 -1.82481 32.788 -1.82492 3.38567 16.2841 32.788 16.2842 0.529265 GPRESSAVG: 1854400 20.4744 -3.34081 35.0956 -2.91136 3.61013 17.4351 33.7472 14.7694 0.644696 TIMING: 1854400 CPU: 5537.89, 0.00294656/step Wall: 5537.89, 0.00294656/step, 2.57464 hours remaining, 207.226562 MB of memory in use. ENERGY: 1854400 753.8140 2096.5414 1940.5696 112.4926 -205545.2087 17534.6050 0.0000 0.0000 34088.1939 -149018.9921 297.7007 -183107.1860 -148919.9995 299.5012 -86.8541 -53.0975 558165.1282 8.1856 8.2431 PRESSURE: 1854600 121.439 -88.0691 -105.364 -88.0698 -225.881 22.0586 -105.364 22.0586 -109.283 GPRESSURE: 1854600 126.973 -125.607 -177.301 -95.1355 -195.54 86.6291 -116.84 36.3299 -42.4082 PRESSAVG: 1854600 -30.9959 -12.5627 25.0732 -12.5627 29.8149 -5.31877 25.0731 -5.31872 -41.3486 GPRESSAVG: 1854600 -31.1583 -11.5204 23.1139 -12.0683 30.6546 -7.7094 24.9208 -4.38155 -42.0615 TIMING: 1854600 CPU: 5538.48, 0.00296341/step Wall: 5538.48, 0.00296341/step, 2.5892 hours remaining, 207.226562 MB of memory in use. ENERGY: 1854600 740.3841 2096.2440 1935.1603 126.1550 -205747.9942 17570.5021 0.0000 0.0000 34281.8648 -148997.6839 299.3921 -183279.5487 -148904.9849 299.5960 -71.2418 -36.9920 557050.9714 -14.1765 -14.1884 PRESSURE: 1854800 205.26 228.979 105.485 228.98 343.777 56.2614 105.485 56.2633 225.889 GPRESSURE: 1854800 268.152 188.853 137.326 252.858 338.461 83.981 70.435 136.738 267.469 PRESSAVG: 1854800 44.067 16.3107 -31.9749 16.3106 4.51289 64.8464 -31.9748 64.8464 5.55526 GPRESSAVG: 1854800 44.2591 17.1661 -30.579 14.8001 3.52103 65.5163 -32.2724 66.2656 7.13164 TIMING: 1854800 CPU: 5539.07, 0.00295603/step Wall: 5539.07, 0.00295603/step, 2.58258 hours remaining, 207.226562 MB of memory in use. ENERGY: 1854800 738.1071 2092.4167 1917.4019 116.9301 -206006.9225 18090.8857 0.0000 0.0000 34416.4035 -148634.7776 300.5670 -183051.1811 -148538.7814 299.5689 258.3087 291.3603 556670.5172 18.0451 18.3039 PRESSURE: 1855000 -234.185 -83.7986 115.342 -83.7984 -159.3 32.8097 115.342 32.8092 -127.572 GPRESSURE: 1855000 -220.414 -139.88 170.471 -72.4899 -71.5136 -4.80437 -24.6704 46.8427 -137.467 PRESSAVG: 1855000 -31.6258 69.6832 12.4532 69.6832 2.50306 33.1486 12.4533 33.1487 13.0453 GPRESSAVG: 1855000 -32.391 68.6936 12.0375 70.6024 2.91502 34.0357 12.8239 31.3067 13.4368 TIMING: 1855000 CPU: 5539.66, 0.00296429/step Wall: 5539.66, 0.00296429/step, 2.58963 hours remaining, 207.226562 MB of memory in use. ENERGY: 1855000 777.4473 2041.2621 1927.2659 117.1882 -205550.1459 17562.5695 0.0000 0.0000 34373.7575 -148750.6553 300.1946 -183124.4128 -148648.8370 300.3484 -173.6859 -143.1316 558181.5542 -5.3591 -5.3464 PRESSURE: 1855200 0.0701228 20.4991 78.692 20.4993 111.682 300.839 78.6932 300.839 152.474 GPRESSURE: 1855200 42.6613 -16.4042 150.802 8.0507 167.44 337.874 22.0467 284.066 144.853 PRESSAVG: 1855200 -11.8477 33.5577 56.7325 33.5578 -19.4083 68.0439 56.7326 68.044 23.442 GPRESSAVG: 1855200 -10.5718 32.5646 57.3978 34.3695 -20.1496 67.9482 56.4103 66.6321 21.9152 TIMING: 1855200 CPU: 5540.26, 0.00298439/step Wall: 5540.26, 0.00298439/step, 2.60703 hours remaining, 207.226562 MB of memory in use. ENERGY: 1855200 759.8227 2049.7657 1918.2652 113.6200 -206078.6525 17971.9614 0.0000 0.0000 34525.5257 -148739.6919 301.5200 -183265.2175 -148643.7520 300.5700 88.0754 118.3180 556284.1459 -2.6047 -2.9354 PRESSURE: 1855400 74.4343 -77.0366 2.50964 -77.0376 124.077 -145.144 2.51082 -145.144 -183.253 GPRESSURE: 1855400 121.561 -136.152 -4.69677 -100.102 55.1657 -103.287 2.99321 -211.767 -63.1233 PRESSAVG: 1855400 -11.0805 -34.264 16.5754 -34.264 39.696 41.1491 16.5754 41.1493 20.7223 GPRESSAVG: 1855400 -12.0551 -34.0619 13.4454 -35.0372 38.9363 40.1 16.36 43.8239 21.9735 TIMING: 1855400 CPU: 5540.85, 0.00295423/step Wall: 5540.85, 0.00295423/step, 2.58052 hours remaining, 207.226562 MB of memory in use. ENERGY: 1855400 756.3480 2045.4198 1921.5886 95.0345 -205875.0601 17882.9965 0.0000 0.0000 34431.1953 -148742.4773 300.6962 -183173.6726 -148641.7917 301.1194 5.0861 37.8679 558836.2368 16.4460 16.2849 PRESSURE: 1855600 -157.394 -9.94413 110.209 -9.94309 -4.38289 84.1261 110.21 84.126 4.71019 GPRESSURE: 1855600 -125.425 5.56566 107.487 -8.68351 7.24612 -0.145275 65.4742 117.531 55.2843 PRESSAVG: 1855600 -27.8928 8.33649 -9.60172 8.33658 24.7452 -16.5434 -9.60182 -16.5434 -6.03104 GPRESSAVG: 1855600 -27.9642 7.97033 -6.78641 8.93748 25.6433 -15.5744 -9.36806 -17.302 -6.18641 TIMING: 1855600 CPU: 5541.44, 0.00296508/step Wall: 5541.44, 0.00296508/step, 2.58983 hours remaining, 207.226562 MB of memory in use. ENERGY: 1855600 742.9229 1999.8960 1896.5534 112.5516 -205979.3305 17794.9924 0.0000 0.0000 34547.4337 -148884.9805 301.7113 -183432.4142 -148781.6166 300.1866 -52.3557 -20.9648 557190.5981 -3.0595 -2.8358 PRESSURE: 1855800 101.936 28.1765 -23.472 28.1766 422.638 -89.797 -23.4722 -89.7971 7.2748 GPRESSURE: 1855800 96.8788 43.8916 -149.551 -66.1483 390.991 -50.3322 47.9 -132.7 137.338 PRESSAVG: 1855800 3.41214 14.8331 -10.1435 14.8331 -2.61178 -0.769117 -10.1434 -0.769254 21.8981 GPRESSAVG: 1855800 3.06473 12.9441 -8.62649 13.3986 -1.16583 2.99435 -10.5099 -4.35905 21.5287 TIMING: 1855800 CPU: 5542.03, 0.002945/step Wall: 5542.03, 0.002945/step, 2.57213 hours remaining, 207.226562 MB of memory in use. ENERGY: 1855800 760.4539 2057.0350 1900.8757 114.8244 -206161.4088 18100.4195 0.0000 0.0000 34326.9736 -148900.8267 299.7860 -183227.8003 -148809.8471 299.8990 177.2828 208.4025 558666.3752 7.5662 7.8092 PRESSURE: 1856000 -188.893 31.1775 38.4406 31.1763 -26.5265 -170.486 38.4402 -170.486 79.243 GPRESSURE: 1856000 -87.7092 -18.9203 180.866 51.5767 10.4565 -146.439 -72.5516 -147.245 42.3492 PRESSAVG: 1856000 -32.5855 -25.7212 25.2948 -25.7213 -10.0633 -4.36024 25.2947 -4.36039 48.6081 GPRESSAVG: 1856000 -32.2845 -25.5107 21.5669 -24.4474 -10.1941 -6.8199 26.5356 -2.40908 48.4184 TIMING: 1856000 CPU: 5542.62, 0.00295384/step Wall: 5542.62, 0.00295384/step, 2.57968 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1856000 766.1323 2074.7411 1945.2671 109.9950 -205584.6265 17738.3598 0.0000 0.0000 34171.2406 -148778.8906 298.4259 -182950.1312 -148684.1469 299.7713 -45.3922 -11.6345 560138.5455 1.9864 1.9799 PRESSURE: 1856200 43.2517 9.07671 131.225 9.07582 60.8585 -48.9758 131.225 -48.9742 5.89259 GPRESSURE: 1856200 96.2897 -1.87045 136.169 -52.6158 121.412 -13.6596 110.356 3.14234 16.4401 PRESSAVG: 1856200 2.84692 -18.4468 27.8101 -18.4468 16.5637 -42.7868 27.81 -42.7867 -10.7909 GPRESSAVG: 1856200 3.56449 -17.776 27.6661 -18.4142 15.5395 -43.5816 28.0053 -42.2023 -10.1007 TIMING: 1856200 CPU: 5543.21, 0.00294666/step Wall: 5543.21, 0.00294666/step, 2.57325 hours remaining, 207.226562 MB of memory in use. ENERGY: 1856200 721.1428 2118.2197 1931.2946 106.9028 -205630.1150 17767.9398 0.0000 0.0000 34376.3673 -148608.2480 300.2174 -182984.6153 -148507.8506 300.3512 36.6676 78.0474 559359.6572 2.8732 3.0011 LDB: ============= START OF LOAD BALANCING ============== 5546.76 LDB: ============== END OF LOAD BALANCING =============== 5546.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5546.76 LDB: ============= START OF LOAD BALANCING ============== 5547.06 LDB: Largest compute 4774 load 0.027095 is 22.9% of average load 0.118248 LDB: Average compute 0.001719 is 1.5% of average load 0.118248 LDB: TIME 5547.06 LOAD: AVG 0.118248 MAX 0.212446 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.258 MB LDB: TIME 5547.06 LOAD: AVG 0.118248 MAX 0.212446 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.258 MB LDB: TIME 5547.06 LOAD: AVG 0.118248 MAX 0.212446 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.258 MB LDB: ============== END OF LOAD BALANCING =============== 5547.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5547.07 PRESSURE: 1856400 -168.671 -216.005 -63.9315 -216.004 -319.42 -76.9239 -63.9307 -76.9232 -181.885 GPRESSURE: 1856400 -146.797 -259.109 -40.809 -150.01 -247.201 -72.7525 -99.2749 5.07233 -183.289 PRESSAVG: 1856400 55.1253 -27.05 -1.50004 -27.05 -72.5412 -13.6838 -1.50003 -13.6839 -3.36392 GPRESSAVG: 1856400 54.5273 -26.106 0.698268 -27.3266 -73.1762 -12.3603 -2.37901 -15.1871 -2.18353 TIMING: 1856400 CPU: 5543.82, 0.00303891/step Wall: 5543.82, 0.00303891/step, 2.65365 hours remaining, 207.539062 MB of memory in use. ENERGY: 1856400 777.4879 2074.9575 1938.3387 112.4424 -205734.7104 17645.9564 0.0000 0.0000 34551.8423 -148633.6850 301.7498 -183185.5274 -148540.5032 300.6050 -223.3254 -192.4290 559376.6019 -6.9266 -6.9441 PRESSURE: 1856600 -51.7944 25.2636 5.94751 25.2633 51.1188 -26.0225 5.94908 -26.0223 -87.0781 GPRESSURE: 1856600 -56.7879 -18.2286 -22.1225 39.2879 152.95 -86.5977 35.4658 21.6884 -79.8579 PRESSAVG: 1856600 36.7849 -0.550969 26.869 -0.55087 -6.68754 -55.5976 26.869 -55.5975 -16.608 GPRESSAVG: 1856600 36.6956 -0.774037 24.9828 -0.326935 -5.81927 -56.9807 26.9588 -53.2175 -17.1805 TIMING: 1856600 CPU: 5544.42, 0.00298385/step Wall: 5544.42, 0.00298385/step, 2.6054 hours remaining, 207.738281 MB of memory in use. ENERGY: 1856600 735.8954 2080.3525 1942.3708 100.9542 -205409.8559 17554.1170 0.0000 0.0000 34246.9727 -148749.1932 299.0873 -182996.1659 -148646.0338 300.8610 -29.2512 5.4349 557648.0277 4.4964 4.5653 PRESSURE: 1856800 100.319 50.3225 40.4244 50.3232 -159.853 -91.987 40.4245 -91.9889 -102.31 GPRESSURE: 1856800 106.187 133.294 8.11103 8.78957 -92.8764 -72.3607 62.4969 24.7944 -86.69 PRESSAVG: 1856800 0.858167 35.1472 -36.9029 35.1472 3.80191 0.0584513 -36.9029 0.0585247 21.4749 GPRESSAVG: 1856800 1.58576 33.8544 -37.0682 34.8186 2.94877 0.895046 -36.7186 -0.227509 21.7422 TIMING: 1856800 CPU: 5545.01, 0.00298818/step Wall: 5545.01, 0.00298818/step, 2.60901 hours remaining, 207.738281 MB of memory in use. ENERGY: 1856800 725.2077 2082.2436 1942.5101 124.2634 -205403.4699 17411.4879 0.0000 0.0000 34431.6736 -148686.0837 300.7004 -183117.7573 -148582.8072 300.7284 -53.9478 -24.4599 558647.8784 8.7116 8.7589 PRESSURE: 1857000 84.3295 82.3483 79.5913 82.3503 159.257 109.164 79.593 109.163 220.295 GPRESSURE: 1857000 153.34 89.0971 160.032 -16.9848 200.942 142.084 -33.1593 106.954 211.965 PRESSAVG: 1857000 -20.6664 2.39116 -10.9498 2.39107 -18.6238 5.7406 -10.9498 5.74072 30.4152 GPRESSAVG: 1857000 -19.5606 3.57232 -10.6956 1.89497 -20.0373 3.73027 -10.2566 5.63061 30.6515 TIMING: 1857000 CPU: 5545.61, 0.00299096/step Wall: 5545.61, 0.00299096/step, 2.61128 hours remaining, 207.738281 MB of memory in use. ENERGY: 1857000 723.7598 2114.0721 1929.6977 118.9589 -206118.2673 17939.3546 0.0000 0.0000 34675.6644 -148616.7596 302.8312 -183292.4241 -148519.3818 300.5088 154.6272 188.7491 557332.2283 -2.9583 -2.9821 PRESSURE: 1857200 76.1816 24.7265 -8.35803 24.7287 -11.7801 -114.579 -8.35721 -114.578 148.731 GPRESSURE: 1857200 63.6545 85.5664 -34.5025 21.2705 20.2975 -121.702 85.3242 -126.212 226.272 PRESSAVG: 1857200 -0.661517 -11.1543 -4.97725 -11.1544 -43.742 12.8556 -4.97721 12.8557 53.5094 GPRESSAVG: 1857200 -2.32963 -11.4623 -3.50696 -9.60781 -41.983 11.3556 -5.62874 13.908 53.2987 TIMING: 1857200 CPU: 5546.21, 0.00297109/step Wall: 5546.21, 0.00297109/step, 2.59376 hours remaining, 207.738281 MB of memory in use. ENERGY: 1857200 765.6523 2116.8404 1924.1906 106.1803 -205768.0876 17837.9668 0.0000 0.0000 34277.9032 -148739.3540 299.3575 -183017.2572 -148640.8576 300.4179 71.0443 103.4080 558037.4741 3.0353 2.9953 PRESSURE: 1857400 -31.6413 116.53 -96.3442 116.529 217.889 -61.3878 -96.3443 -61.3889 126.278 GPRESSURE: 1857400 -28.6487 104.689 -84.6925 46.2285 256.168 -75.9174 -140.961 -94.1894 189.233 PRESSAVG: 1857400 -39.6836 -10.9264 -18.8581 -10.9264 34.489 -9.46444 -18.8582 -9.4645 38.8772 GPRESSAVG: 1857400 -40.6536 -11.073 -20.2257 -12.2707 35.0881 -6.14722 -17.6057 -9.3328 39.7905 TIMING: 1857400 CPU: 5546.8, 0.00297815/step Wall: 5546.8, 0.00297815/step, 2.59976 hours remaining, 207.738281 MB of memory in use. ENERGY: 1857400 767.2108 2015.7087 1936.5223 111.5153 -205841.7622 17789.6478 0.0000 0.0000 34507.3260 -148713.8313 301.3611 -183221.1574 -148609.0816 300.6129 104.1752 138.9175 556957.5790 11.2275 11.4083 PRESSURE: 1857600 308.909 7.28683 -131.842 7.28876 12.9887 -131.532 -131.841 -131.531 -105.7 GPRESSURE: 1857600 337.89 -18.9323 -119.15 58.1968 8.4797 -104.566 -169.985 -104.015 -39.137 PRESSAVG: 1857600 20.1039 -9.22218 -13.4453 -9.22219 19.5896 -32.2278 -13.4452 -32.2278 -25.7008 GPRESSAVG: 1857600 21.8918 -9.79628 -11.6863 -8.10497 18.4751 -33.9834 -14.6793 -32.1542 -26.6418 TIMING: 1857600 CPU: 5547.4, 0.00298649/step Wall: 5547.4, 0.00298649/step, 2.60687 hours remaining, 207.738281 MB of memory in use. ENERGY: 1857600 741.9095 2103.7558 1922.9120 106.0975 -205904.9702 17750.8333 0.0000 0.0000 34421.8494 -148857.6128 300.6146 -183279.4622 -148762.7127 301.0730 72.0659 102.4110 557507.2938 4.6642 4.5750 PRESSURE: 1857800 -136.502 -4.94777 -1.78807 -4.94719 -28.2399 17.2916 -1.7881 17.292 -109.53 GPRESSURE: 1857800 -86.7024 52.9912 68.3623 -74.8195 -46.7422 50.7078 -20.7541 -9.40062 -46.876 PRESSAVG: 1857800 -30.8839 -6.22496 -33.4846 -6.22498 3.23545 -6.89952 -33.4846 -6.89946 22.3094 GPRESSAVG: 1857800 -31.9295 -3.32893 -35.6507 -7.66628 4.20871 -5.20738 -33.4166 -9.76789 23.2864 TIMING: 1857800 CPU: 5547.99, 0.00296599/step Wall: 5547.99, 0.00296599/step, 2.58882 hours remaining, 207.738281 MB of memory in use. ENERGY: 1857800 786.3710 2126.0725 1948.2896 98.7765 -205977.6294 17750.9249 0.0000 0.0000 34458.7241 -148808.4708 300.9366 -183267.1949 -148711.5624 300.7378 -91.4243 -60.1068 558682.7106 -1.7797 -1.4781 PRESSURE: 1858000 93.1445 76.055 27.2691 76.0549 507.359 97.1814 27.2695 97.1818 -58.5045 GPRESSURE: 1858000 103.755 56.8118 8.09576 54.6069 549.691 74.4915 27.6206 80.5506 -19.5679 PRESSAVG: 1858000 -20.3045 -9.91711 -1.97929 -9.91714 1.14639 4.19426 -1.97931 4.19437 8.66522 GPRESSAVG: 1858000 -20.5274 -10.125 -3.03293 -11.0028 1.82584 2.18619 -1.67492 6.5739 8.03406 TIMING: 1858000 CPU: 5548.59, 0.00298502/step Wall: 5548.59, 0.00298502/step, 2.60526 hours remaining, 207.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1858000 735.0226 2120.0832 1926.9451 106.0507 -205671.5952 17860.9010 0.0000 0.0000 34070.2584 -148852.3342 297.5440 -182922.5925 -148759.4680 300.1749 180.6665 211.2928 557419.3733 -3.4976 -3.5558 PRESSURE: 1858200 -59.3553 -98.8261 91.9913 -98.8255 -289.35 75.6895 91.9911 75.6895 -48.7175 GPRESSURE: 1858200 -10.7995 -98.1269 108.345 -134.953 -268.669 77.5467 3.42457 111.65 -17.1192 PRESSAVG: 1858200 71.6989 -30.2488 -23.3654 -30.2489 -38.7462 -5.23303 -23.3654 -5.23308 1.81251 GPRESSAVG: 1858200 71.6331 -31.3542 -21.5989 -27.9156 -38.4357 -3.5272 -22.8061 -6.37892 1.77667 TIMING: 1858200 CPU: 5549.19, 0.00298386/step Wall: 5549.19, 0.00298386/step, 2.60408 hours remaining, 207.738281 MB of memory in use. ENERGY: 1858200 719.3350 2096.7943 1959.9742 112.1051 -205860.7727 17476.0925 0.0000 0.0000 34646.8383 -148849.6332 302.5795 -183496.4715 -148750.5995 300.8487 -132.4743 -98.8626 559085.4541 11.5884 11.6580 PRESSURE: 1858400 -129.61 11.9491 -18.3882 11.9483 -99.5696 92.5854 -18.3883 92.5831 1.38297 GPRESSURE: 1858400 -114.861 -20.4324 -124.756 29.0837 -59.7083 5.21111 -55.9794 43.6865 33.6452 PRESSAVG: 1858400 41.4025 14.6283 -1.78343 14.6283 -24.8634 47.9405 -1.78342 47.9406 4.52372 GPRESSAVG: 1858400 42.1629 16.7305 -0.327445 13.9889 -25.3358 45.6794 -2.08505 49.3021 4.32335 TIMING: 1858400 CPU: 5549.79, 0.00301316/step Wall: 5549.79, 0.00301316/step, 2.62948 hours remaining, 207.738281 MB of memory in use. ENERGY: 1858400 734.5030 2120.8235 1926.6296 120.7605 -205785.3266 17721.3001 0.0000 0.0000 34378.8336 -148782.4761 300.2389 -183161.3098 -148687.5233 300.4435 -75.9323 -46.9747 559004.2573 7.0209 7.0502 PRESSURE: 1858600 58.3318 213.302 126.58 213.302 23.913 -80.9034 126.58 -80.904 -112.698 GPRESSURE: 1858600 137.612 106.149 114.906 302.428 -18.0537 -43.2306 39.3402 -29.5012 -56.1557 PRESSAVG: 1858600 26.2702 48.5456 3.82963 48.5457 -38.202 37.3328 3.82962 37.3328 25.265 GPRESSAVG: 1858600 26.491 46.7452 0.912424 48.6492 -37.6406 38.6012 3.01996 37.2439 24.4442 TIMING: 1858600 CPU: 5550.39, 0.00298931/step Wall: 5550.39, 0.00298932/step, 2.60851 hours remaining, 207.738281 MB of memory in use. ENERGY: 1858600 741.5178 2160.4850 1979.5117 115.1442 -205900.3029 17788.5904 0.0000 0.0000 34495.2121 -148619.8417 301.2553 -183115.0538 -148527.8191 300.7396 -10.1510 21.1343 559676.1113 4.4444 4.4315 PRESSURE: 1858800 -10.5212 15.1848 -38.5999 15.1854 100.547 -14.9134 -38.5985 -14.9123 -208.813 GPRESSURE: 1858800 26.0115 74.2487 -94.5957 -28.5039 102.17 -91.6655 48.2372 28.8887 -153.876 PRESSAVG: 1858800 -106.587 16.5233 -8.49356 16.5234 44.8563 -41.4086 -8.49353 -41.4086 28.6559 GPRESSAVG: 1858800 -107.695 17.3523 -6.23865 16.4127 43.5992 -40.1356 -9.32019 -43.5231 30.9878 TIMING: 1858800 CPU: 5550.98, 0.00297451/step Wall: 5550.98, 0.00297451/step, 2.59543 hours remaining, 207.738281 MB of memory in use. ENERGY: 1858800 772.9122 2118.8907 1942.4595 108.1337 -205741.2168 17618.0899 0.0000 0.0000 34626.0484 -148554.6825 302.3979 -183180.7309 -148458.8608 301.1205 -39.5957 -8.5647 559180.5548 -11.0248 -11.0361 PRESSURE: 1859000 -26.7418 -132.542 -129.743 -132.543 -80.2101 -82.686 -129.742 -82.6844 304.19 GPRESSURE: 1859000 5.49673 -28.4163 -172.722 -234.078 -41.1317 -94.341 -92.4023 -90.4214 333.056 PRESSAVG: 1859000 -27.2997 14.7435 -31.4092 14.7434 21.7764 -103.825 -31.4092 -103.825 49.4403 GPRESSAVG: 1859000 -26.4866 12.705 -33.1333 14.4537 21.5224 -102.509 -27.8428 -103.377 48.2247 TIMING: 1859000 CPU: 5551.58, 0.00298107/step Wall: 5551.58, 0.00298107/step, 2.60098 hours remaining, 207.738281 MB of memory in use. ENERGY: 1859000 731.2840 2115.6108 1966.1179 124.4392 -205678.2464 17817.8737 0.0000 0.0000 34400.9890 -148521.9318 300.4324 -182922.9208 -148425.1186 301.5545 65.7460 99.1402 559162.9037 14.6390 14.4202 PRESSURE: 1859200 -17.95 -85.2244 -91.504 -85.2232 101.94 12.4189 -91.5021 12.4172 -146.22 GPRESSURE: 1859200 53.1818 -95.433 -77.1102 12.9733 82.0778 -35.9103 -85.7174 5.63741 -102.627 PRESSAVG: 1859200 -16.4604 -24.1289 -38.6905 -24.1289 42.8489 2.63387 -38.6904 2.63384 -29.1364 GPRESSAVG: 1859200 -15.4246 -24.0808 -37.2326 -24.1286 42.3845 0.573817 -40.6797 3.17347 -29.7883 TIMING: 1859200 CPU: 5552.18, 0.00299371/step Wall: 5552.18, 0.00299371/step, 2.61184 hours remaining, 207.738281 MB of memory in use. ENERGY: 1859200 775.2103 2166.5876 1914.8577 105.5727 -206016.7811 17855.0762 0.0000 0.0000 34527.7978 -148671.6788 301.5398 -183199.4766 -148579.1729 301.0305 -20.7434 10.8776 559083.2594 -0.9160 -0.9428 PRESSURE: 1859400 -295.057 -183.434 -21.4745 -183.435 -155.321 -122.776 -21.4747 -122.775 46.8856 GPRESSURE: 1859400 -296.782 -69.5697 -78.0198 -174.908 -105.384 -130 -5.18596 -114.466 88.8243 PRESSAVG: 1859400 16.7717 -36.2186 17.655 -36.2186 53.4748 8.36693 17.655 8.36693 -109.077 GPRESSAVG: 1859400 15.7958 -34.7356 16.4506 -35.908 54.5947 8.50314 18.3227 9.78882 -109.086 TIMING: 1859400 CPU: 5552.77, 0.00298909/step Wall: 5552.77, 0.00298909/step, 2.60765 hours remaining, 207.738281 MB of memory in use. ENERGY: 1859400 767.9681 2078.0066 1982.5064 115.2782 -205455.8292 17567.3714 0.0000 0.0000 34279.7335 -148664.9650 299.3734 -182944.6984 -148570.4098 300.2577 -134.4977 -104.4472 558513.0033 -12.9434 -12.8984 PRESSURE: 1859600 49.0946 37.4933 28.861 37.4935 47.1566 54.1115 28.8614 54.1119 127.939 GPRESSURE: 1859600 49.9161 -37.9972 72.0375 113.601 111.704 97.3048 120.27 116.56 159.905 PRESSAVG: 1859600 -88.3769 16.3457 32.972 16.3457 33.2118 -0.439408 32.972 -0.439432 30.2132 GPRESSAVG: 1859600 -88.5224 15.1776 32.9478 16.1979 32.8303 0.5696 33.2035 -2.5361 31.0036 TIMING: 1859600 CPU: 5553.37, 0.00299811/step Wall: 5553.37, 0.00299811/step, 2.61535 hours remaining, 207.738281 MB of memory in use. ENERGY: 1859600 757.2737 2127.5378 1941.7674 119.1862 -205903.5262 17667.3103 0.0000 0.0000 34399.0544 -148891.3964 300.4155 -183290.4508 -148794.2500 300.7628 74.7301 107.1751 557118.0833 -8.3173 -8.2295 PRESSURE: 1859800 -161.557 -9.70935 -24.4464 -9.70969 5.93972 -205.465 -24.4454 -205.466 -94.6233 GPRESSURE: 1859800 -147.358 -29.8974 -60.1686 -21.3672 72.2584 -188.11 -3.71236 -198.203 -80.7808 PRESSAVG: 1859800 -38.942 -9.83484 -4.97323 -9.8348 -41.8291 63.1263 -4.97324 63.1263 74.1555 GPRESSAVG: 1859800 -39.2104 -10.8826 -5.21067 -8.00862 -40.7988 61.2629 -5.92062 66.7341 73.1303 TIMING: 1859800 CPU: 5553.97, 0.00300359/step Wall: 5553.97, 0.00300359/step, 2.61997 hours remaining, 207.738281 MB of memory in use. ENERGY: 1859800 768.4293 2141.0415 1943.8274 129.5400 -206048.2190 17786.4967 0.0000 0.0000 34327.6522 -148951.2318 299.7919 -183278.8840 -148850.3806 300.1547 -83.4136 -51.9601 558159.8917 -2.2052 -2.2930 PRESSURE: 1860000 -91.232 109.455 109.612 109.454 226.249 -116.502 109.611 -116.503 -87.3361 GPRESSURE: 1860000 -21.3837 132.962 84.483 89.2686 201.204 -122.548 141.136 -72.9174 -24.3519 PRESSAVG: 1860000 -5.24796 -8.97093 20.5537 -8.97093 59.2223 -22.1889 20.5537 -22.1889 -11.8655 GPRESSAVG: 1860000 -4.57013 -7.74074 19.7009 -10.3324 57.6923 -20.8508 22.0376 -25.3436 -10.9184 TIMING: 1860000 CPU: 5554.57, 0.00299141/step Wall: 5554.57, 0.00299141/step, 2.60917 hours remaining, 207.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1860000 739.1837 2130.7384 1915.9011 125.0045 -206549.3798 17980.4643 0.0000 0.0000 34531.9498 -149126.1380 301.5761 -183658.0879 -149022.1941 300.2789 15.8936 51.8228 558096.8494 14.0363 14.0679 PRESSURE: 1860200 98.7467 -5.71804 12.3817 -5.7172 -72.3929 -99.9462 12.3825 -99.9458 65.5319 GPRESSURE: 1860200 86.7532 -130.189 66.3121 25.7144 -27.101 -94.6074 -40.8877 -118.796 111.187 PRESSAVG: 1860200 25.4423 30.8182 -19.9626 30.8182 24.589 30.4681 -19.9625 30.4682 -38.1096 GPRESSAVG: 1860200 23.9769 29.8352 -16.9249 32.9291 26.1606 28.8414 -21.6352 31.2617 -38.5549 TIMING: 1860200 CPU: 5555.17, 0.00299807/step Wall: 5555.17, 0.00299807/step, 2.61481 hours remaining, 207.996094 MB of memory in use. ENERGY: 1860200 757.1348 2149.8749 1940.3993 110.8512 -206498.9975 18159.1919 0.0000 0.0000 34263.9961 -149117.5493 299.2360 -183381.5455 -149021.1426 300.3455 30.6286 56.9464 557804.5394 3.9739 3.8609 LDB: ============= START OF LOAD BALANCING ============== 5558.72 LDB: ============== END OF LOAD BALANCING =============== 5558.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5558.72 LDB: ============= START OF LOAD BALANCING ============== 5559.03 LDB: Largest compute 4796 load 0.027186 is 23.0% of average load 0.118171 LDB: Average compute 0.001713 is 1.4% of average load 0.118171 LDB: TIME 5559.03 LOAD: AVG 0.118171 MAX 0.210462 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.996 MB LDB: TIME 5559.03 LOAD: AVG 0.118171 MAX 0.210462 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: TIME 5559.03 LOAD: AVG 0.118171 MAX 0.210462 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5559.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5559.03 PRESSURE: 1860400 -7.74232 -178.292 123.601 -178.293 77.4245 36.7877 123.601 36.7905 111.342 GPRESSURE: 1860400 102.1 -206.092 176.371 -171.495 38.8372 50.0182 152.708 49.2288 155.759 PRESSAVG: 1860400 -1.60462 16.7403 -13.2266 16.7403 -29.8214 -11.6524 -13.2266 -11.6525 29.2241 GPRESSAVG: 1860400 -0.232977 16.7775 -13.7888 15.0331 -30.9825 -7.83403 -13.27 -13.2554 29.2433 TIMING: 1860400 CPU: 5555.78, 0.00305958/step Wall: 5555.78, 0.00305959/step, 2.6683 hours remaining, 206.511719 MB of memory in use. ENERGY: 1860400 728.0204 2081.1523 1932.6514 117.6950 -206631.8011 18161.8815 0.0000 0.0000 34338.4039 -149271.9966 299.8858 -183610.4005 -149174.3446 299.4550 60.3413 98.8986 558014.0763 -0.7339 -0.6574 PRESSURE: 1860600 -241.591 -10.7718 97.0417 -10.7709 -498.52 -150.767 97.0414 -150.767 -110.835 GPRESSURE: 1860600 -151.648 32.9749 73.483 -15.0461 -479.166 -128.878 75.2772 -200.352 -126.954 PRESSAVG: 1860600 -78.3586 15.9808 -24.006 15.9808 5.62652 30.2977 -24.0059 30.2976 74.0767 GPRESSAVG: 1860600 -78.1551 15.2058 -22.9354 17.6781 4.87465 30.0154 -24.656 29.1172 74.5274 TIMING: 1860600 CPU: 5556.39, 0.00302668/step Wall: 5556.39, 0.00302668/step, 2.63943 hours remaining, 206.511719 MB of memory in use. ENERGY: 1860600 786.6419 2135.7122 1967.2700 122.1346 -205968.2500 17533.5362 0.0000 0.0000 34363.8516 -149059.1036 300.1081 -183422.9552 -148959.3369 299.5983 -283.6485 -252.5895 557561.3667 0.4482 0.4157 PRESSURE: 1860800 -148.216 125.066 -17.5706 125.066 -247.73 98.7521 -17.5704 98.7529 -145.331 GPRESSURE: 1860800 -116.516 97.9125 -8.94091 175.448 -236.231 208.352 -56.2534 41.5727 -94.51 PRESSAVG: 1860800 2.00668 -20.1713 -36.3257 -20.1713 27.1438 -23.4155 -36.3258 -23.4155 -20.3376 GPRESSAVG: 1860800 2.17062 -18.8966 -38.6585 -21.6656 28.0235 -24.3804 -36.3299 -20.9797 -21.4724 TIMING: 1860800 CPU: 5556.99, 0.00300587/step Wall: 5556.99, 0.00300587/step, 2.62111 hours remaining, 206.511719 MB of memory in use. ENERGY: 1860800 777.4747 2077.6922 1921.7020 117.6689 -205974.8853 17594.9134 0.0000 0.0000 34415.4997 -149069.9344 300.5591 -183485.4341 -148969.2771 300.0538 -180.4255 -149.0855 558338.0281 2.9376 2.9072 PRESSURE: 1861000 -105.3 18.5456 -92.2193 18.5464 220.023 63.6986 -92.2196 63.6986 1.79629 GPRESSURE: 1861000 -62.1347 -44.0856 -117.028 40.345 229.338 70.5811 -50.7598 67.8444 45.4816 PRESSAVG: 1861000 -38.4976 -3.9036 -28.9226 -3.90355 -10.1219 13.4234 -28.9226 13.4234 56.1374 GPRESSAVG: 1861000 -40.0345 -3.67145 -28.9956 -4.63328 -9.98196 13.9227 -27.6696 11.4105 57.8515 TIMING: 1861000 CPU: 5557.59, 0.00300545/step Wall: 5557.59, 0.00300545/step, 2.62059 hours remaining, 206.511719 MB of memory in use. ENERGY: 1861000 761.9911 2088.8405 1936.1834 114.8917 -206210.6376 17691.6724 0.0000 0.0000 34559.1534 -149057.9051 301.8137 -183617.0585 -148960.3884 299.8535 38.8397 70.8951 555324.9250 2.5059 2.6117 PRESSURE: 1861200 -111.258 -60.1836 66.1505 -60.1836 127.604 -76.1378 66.1509 -76.1386 9.27855 GPRESSURE: 1861200 -21.893 -54.0985 44.5995 -140.164 148.701 -41.2969 34.7018 -84.7689 4.88539 PRESSAVG: 1861200 33.8111 -29.1188 -81.4545 -29.1189 -2.62164 -57.4222 -81.4544 -57.4221 -2.63122 GPRESSAVG: 1861200 34.5091 -30.1719 -81.3014 -26.2183 -3.64799 -58.1948 -81.0093 -57.288 -2.57869 TIMING: 1861200 CPU: 5558.19, 0.00297932/step Wall: 5558.19, 0.00297932/step, 2.59764 hours remaining, 206.511719 MB of memory in use. ENERGY: 1861200 690.7279 2141.1950 1939.2059 119.0329 -205984.6496 17726.3916 0.0000 0.0000 34254.2115 -149113.8848 299.1505 -183368.0963 -149015.0046 299.7590 8.5416 43.8979 557821.9452 9.5194 9.4275 PRESSURE: 1861400 -153.278 -180.364 -2.19617 -180.364 44.361 -62.3031 -2.19514 -62.305 -146.045 GPRESSURE: 1861400 -45.9415 -123.496 150.78 -291.309 11.4442 -106.222 -30.9227 -57.5546 -122.523 PRESSAVG: 1861400 7.6146 -11.6147 73.0425 -11.6148 -38.0908 13.8571 73.0425 13.8571 45.2059 GPRESSAVG: 1861400 7.64245 -9.52891 74.0427 -16.0391 -37.1258 13.566 70.9583 17.4582 43.6591 TIMING: 1861400 CPU: 5558.78, 0.00298219/step Wall: 5558.78, 0.00298219/step, 2.59998 hours remaining, 206.511719 MB of memory in use. ENERGY: 1861400 720.3783 2062.1339 1941.4208 104.2911 -206179.2531 17596.4575 0.0000 0.0000 34553.4259 -149201.1457 301.7637 -183754.5716 -149100.7924 300.1409 -84.9871 -52.3399 556702.2500 4.9099 4.7252 PRESSURE: 1861600 -175.127 -136.83 47.532 -136.83 -95.2297 240.436 47.5323 240.436 -45.3416 GPRESSURE: 1861600 -122.553 -70.4745 -40.012 -222.564 -54.5587 291.223 133.896 178.917 -30.6127 PRESSAVG: 1861600 4.39776 -91.5756 34.6333 -91.5756 -2.2613 16.4628 34.6334 16.4628 21.2517 GPRESSAVG: 1861600 5.39875 -92.7797 32.5885 -89.848 -3.35754 16.2546 37.0493 13.2953 21.101 TIMING: 1861600 CPU: 5559.39, 0.00300819/step Wall: 5559.39, 0.00300819/step, 2.62247 hours remaining, 206.511719 MB of memory in use. ENERGY: 1861600 749.0456 2065.9849 1957.8427 114.9896 -206295.9622 17786.8050 0.0000 0.0000 34414.1822 -149207.1122 300.5476 -183621.2944 -149118.7350 300.1405 -105.2328 -69.2413 558334.4369 7.7961 7.7141 PRESSURE: 1861800 113.965 -70.2139 -16.1526 -70.2134 28.7965 -155.853 -16.1531 -155.853 278.711 GPRESSURE: 1861800 188.056 -34.4161 -45.0787 2.74441 79.4549 -125.833 -30.6394 -206.087 239.317 PRESSAVG: 1861800 70.471 -29.8777 -13.2352 -29.8776 -38.5432 41.5894 -13.2352 41.5894 6.90993 GPRESSAVG: 1861800 69.7169 -30.0969 -12.382 -30.4938 -37.1791 41.5813 -13.5445 42.0134 5.95421 TIMING: 1861800 CPU: 5559.98, 0.00298239/step Wall: 5559.98, 0.00298239/step, 2.59982 hours remaining, 206.511719 MB of memory in use. ENERGY: 1861800 759.8365 2032.9746 1925.1781 96.6074 -206128.9564 17882.1733 0.0000 0.0000 34086.8334 -149345.3531 297.6888 -183432.1865 -149258.8100 298.8420 140.4909 168.9427 557387.6373 12.9459 12.8306 PRESSURE: 1862000 -204.545 22.277 63.5669 22.2777 60.4254 -84.8289 63.5661 -84.8304 -21.2283 GPRESSURE: 1862000 -120.666 46.3082 -18.5959 83.7522 16.8608 -50.77 45.4868 -32.8347 22.4967 PRESSAVG: 1862000 -9.80643 -8.1481 6.04364 -8.1481 -76.4673 3.24503 6.0436 3.24494 40.4517 GPRESSAVG: 1862000 -10.7434 -8.95352 7.03682 -6.13293 -77.4735 3.38968 4.26895 2.13507 42.1565 TIMING: 1862000 CPU: 5560.58, 0.00296614/step Wall: 5560.58, 0.00296614/step, 2.58549 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1862000 755.6365 2106.1075 1949.0715 115.3864 -206339.7862 17759.1195 0.0000 0.0000 34372.1301 -149282.3346 300.1804 -183654.4648 -149183.7247 299.2113 -55.1159 -27.1030 557227.9432 -15.2740 -15.3535 PRESSURE: 1862200 188.194 110.515 78.3789 110.515 -162.994 -29.2945 78.3807 -29.2953 -125.455 GPRESSURE: 1862200 189.409 148.552 78.2972 123.053 -101.97 -17.9453 64.2324 -106.617 -80.7885 PRESSAVG: 1862200 3.70733 10.2538 -0.667853 10.2538 -29.5003 37.8549 -0.667955 37.8548 78.6599 GPRESSAVG: 1862200 3.76335 12.1832 -0.64086 10.1427 -30.0387 36.8518 0.325984 40.6653 79.0595 TIMING: 1862200 CPU: 5561.17, 0.00295929/step Wall: 5561.17, 0.00295929/step, 2.57935 hours remaining, 206.511719 MB of memory in use. ENERGY: 1862200 721.3229 2084.8304 1925.8401 91.6882 -205958.3197 17656.4469 0.0000 0.0000 34337.4836 -149140.7076 299.8778 -183478.1913 -149041.2267 298.8268 -33.4181 2.2166 557837.3199 17.6223 17.5947 PRESSURE: 1862400 -81.4066 166.265 -165.691 166.266 -373.828 -18.3727 -165.69 -18.3724 -4.90984 GPRESSURE: 1862400 -106.864 156.549 -193.775 162.84 -314.551 -14.906 -217.528 -85.857 58.9112 PRESSAVG: 1862400 19.6871 45.7682 -35.0116 45.7682 6.41854 -29.4117 -35.0116 -29.4118 -23.2829 GPRESSAVG: 1862400 19.2839 45.7763 -35.9245 44.3072 7.48538 -27.8293 -34.7294 -31.3196 -23.8287 TIMING: 1862400 CPU: 5561.76, 0.00296908/step Wall: 5561.76, 0.00296908/step, 2.58772 hours remaining, 206.511719 MB of memory in use. ENERGY: 1862400 778.1135 2098.8274 1947.0135 116.1997 -205957.4801 17727.7624 0.0000 0.0000 34168.7230 -149120.8406 298.4040 -183289.5636 -149023.4143 299.3437 -153.3813 -120.8348 558253.1458 0.9409 0.9802 PRESSURE: 1862600 147.997 -39.3898 -19.9346 -39.3898 -178.939 123.021 -19.9344 123.021 -175.982 GPRESSURE: 1862600 166.916 -21.5058 -8.5743 -103.084 -125.639 151.389 37.0007 120.22 -150.694 PRESSAVG: 1862600 2.06082 -7.1787 -56.5002 -7.17884 -44.1834 -22.9979 -56.5003 -22.9979 -6.21527 GPRESSAVG: 1862600 1.25074 -7.75911 -54.9281 -6.46088 -44.3956 -24.5634 -58.1174 -22.4212 -6.02266 TIMING: 1862600 CPU: 5562.36, 0.00296893/step Wall: 5562.36, 0.00296893/step, 2.58742 hours remaining, 206.511719 MB of memory in use. ENERGY: 1862600 775.5198 2135.8702 1919.4136 116.9959 -206312.6388 17888.5062 0.0000 0.0000 34225.9688 -149250.3644 298.9039 -183476.3331 -149144.9540 298.8056 -68.9744 -36.4726 557006.8433 -16.1126 -16.3892 PRESSURE: 1862800 -126.423 38.0644 0.69438 38.0626 -133.724 -8.46965 0.694119 -8.46919 131.898 GPRESSURE: 1862800 -33.7442 79.1392 -64.4652 2.37366 -135.929 32.1098 58.9235 -65.828 139.461 PRESSAVG: 1862800 20.3036 48.0994 -50.2304 48.0994 -13.4898 45.4733 -50.2303 45.4733 -19.7593 GPRESSAVG: 1862800 21.6612 49.3668 -50.2587 47.0153 -14.5209 46.8192 -50.2102 44.4451 -20.1774 TIMING: 1862800 CPU: 5562.95, 0.00296877/step Wall: 5562.95, 0.00296877/step, 2.58712 hours remaining, 206.511719 MB of memory in use. ENERGY: 1862800 724.5039 2064.4458 1956.9761 129.3548 -206383.2571 17902.2404 0.0000 0.0000 34144.7316 -149461.0045 298.1944 -183605.7362 -149359.7516 298.7643 -42.7497 -10.0709 557676.8615 -4.3152 -4.3457 PRESSURE: 1863000 193.181 -116.905 -218.521 -116.903 207.721 -13.4337 -218.519 -13.4341 367.231 GPRESSURE: 1863000 258.443 -77.1615 -165.506 -64.9441 232.131 41.316 -211.987 -104.941 373.427 PRESSAVG: 1863000 -24.1117 17.0139 14.2536 17.0141 7.85087 27.2923 14.2537 27.2923 38.2366 GPRESSAVG: 1863000 -24.5759 16.0099 13.2609 18.299 8.87392 27.0306 14.7211 27.3847 37.6967 TIMING: 1863000 CPU: 5563.55, 0.0029982/step Wall: 5563.55, 0.0029982/step, 2.6126 hours remaining, 206.511719 MB of memory in use. ENERGY: 1863000 747.1906 2116.4091 1924.4305 110.7250 -206631.3171 18207.2160 0.0000 0.0000 34203.2721 -149322.0739 298.7057 -183525.3460 -149220.0573 298.3787 256.0443 288.0002 555960.3110 7.3253 7.3316 PRESSURE: 1863200 87.6973 98.6848 47.4604 98.686 84.095 28.345 47.4605 28.3463 79.6099 GPRESSURE: 1863200 80.6002 160.963 51.1023 92.9829 156.397 -30.4035 128.829 -15.0839 105.286 PRESSAVG: 1863200 -3.39582 19.9968 -12.3474 19.9969 28.2354 5.37282 -12.3473 5.37284 6.86308 GPRESSAVG: 1863200 -3.96786 20.328 -12.6564 19.9085 27.2438 6.46331 -13.1766 5.41119 8.16796 TIMING: 1863200 CPU: 5564.15, 0.00298791/step Wall: 5564.15, 0.00298791/step, 2.60346 hours remaining, 206.511719 MB of memory in use. ENERGY: 1863200 733.8114 2135.6878 1919.1003 106.6337 -206243.6685 17954.9694 0.0000 0.0000 34105.6299 -149287.8359 297.8529 -183393.4658 -149195.7372 299.1327 83.8007 114.0945 557627.1926 10.5676 10.4813 PRESSURE: 1863400 99.1534 -14.717 -24.8435 -14.7156 95.5566 -127.643 -24.8433 -127.643 -92.0631 GPRESSURE: 1863400 157.19 99.5471 27.3459 -172.554 136.711 -152.027 -16.2331 -137.909 -88.6976 PRESSAVG: 1863400 -26.5436 15.0521 4.76993 15.0522 -24.2256 26.1949 4.76999 26.1948 7.35859 GPRESSAVG: 1863400 -25.117 14.7033 6.66535 15.3312 -24.2112 26.5386 3.92383 26.314 6.29251 TIMING: 1863400 CPU: 5564.74, 0.00298215/step Wall: 5564.74, 0.00298215/step, 2.59828 hours remaining, 206.511719 MB of memory in use. ENERGY: 1863400 763.1948 2031.2518 1887.4171 109.2730 -206310.1857 18050.5452 0.0000 0.0000 34118.4571 -149350.0467 297.9650 -183468.5038 -149250.2803 298.5354 34.2156 68.4009 558463.8909 -14.4702 -14.3453 PRESSURE: 1863600 10.5557 -69.4779 3.32779 -69.4772 37.9594 75.4928 3.3287 75.4944 -86.0955 GPRESSURE: 1863600 76.48 -47.4854 44.4957 -96.1511 61.4714 50.6546 -63.2367 74.5746 -79.9547 PRESSAVG: 1863600 -31.4908 46.986 -62.3389 46.9861 63.8631 27.2029 -62.3389 27.203 -39.203 GPRESSAVG: 1863600 -32.6341 45.8607 -62.7516 46.6692 63.7325 27.7973 -59.7754 25.9675 -37.7552 TIMING: 1863600 CPU: 5565.34, 0.00296819/step Wall: 5565.34, 0.00296819/step, 2.58595 hours remaining, 206.511719 MB of memory in use. ENERGY: 1863600 747.5439 2100.9217 1913.6327 107.0934 -206096.8341 17798.5497 0.0000 0.0000 34042.7585 -149386.3343 297.3039 -183429.0928 -149294.1448 298.9043 -12.5268 19.3322 557270.4980 -2.2769 -2.2190 PRESSURE: 1863800 75.1465 -56.7149 -25.2172 -56.7161 -157.296 7.56098 -25.2165 7.56094 130.807 GPRESSURE: 1863800 107.948 -8.08406 -3.37184 -112.639 -121.104 -47.969 -14.8576 41.4567 159.436 PRESSAVG: 1863800 -7.3186 -22.7153 -9.56484 -22.7153 13.1752 16.688 -9.56488 16.688 36.6439 GPRESSAVG: 1863800 -8.8449 -22.2498 -11.5822 -22.8509 15.0894 15.2571 -11.0859 17.39 36.5594 TIMING: 1863800 CPU: 5565.93, 0.00296938/step Wall: 5565.93, 0.00296938/step, 2.58682 hours remaining, 206.511719 MB of memory in use. ENERGY: 1863800 719.2433 1993.9247 1913.0837 115.7176 -206382.5956 17992.8151 0.0000 0.0000 34272.6198 -149375.1915 299.3113 -183647.8113 -149275.1082 298.8247 16.2191 48.7599 558031.6646 14.1668 14.2680 PRESSURE: 1864000 187.417 36.8654 -64.3685 36.8669 50.0741 -39.6369 -64.3689 -39.637 293.806 GPRESSURE: 1864000 330.044 -1.31668 -20.0534 51.6052 46.8693 -40.0219 -29.37 -99.5038 251.955 PRESSAVG: 1864000 -24.3231 -29.2325 75.3673 -29.2326 -14.537 -6.36294 75.3674 -6.36292 33.8073 GPRESSAVG: 1864000 -22.9229 -28.3029 77.1287 -27.9301 -15.9227 -5.52885 76.6946 -6.43503 33.5214 TIMING: 1864000 CPU: 5566.53, 0.00300982/step Wall: 5566.53, 0.00300982/step, 2.62189 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1864000 732.3247 2056.1752 1923.8130 106.6347 -206337.7308 17995.3577 0.0000 0.0000 34079.1018 -149444.3236 297.6213 -183523.4255 -149350.0906 298.2750 177.0991 209.6229 557764.5654 -1.6843 -1.7747 PRESSURE: 1864200 -285.698 -193.223 -45.0953 -193.223 270.229 -36.2044 -45.0958 -36.2046 48.5034 GPRESSURE: 1864200 -259.051 -205.523 93.5053 -238.917 306.824 -95.2138 -116.393 -46.209 76.0741 PRESSAVG: 1864200 -56.5589 -17.5596 10.2519 -17.5595 6.7089 15.9685 10.2519 15.9687 32.9304 GPRESSAVG: 1864200 -55.8315 -18.479 9.98672 -17.9371 6.46479 14.4518 9.25077 17.7282 32.4522 TIMING: 1864200 CPU: 5567.14, 0.00302189/step Wall: 5567.14, 0.00302189/step, 2.63223 hours remaining, 206.511719 MB of memory in use. ENERGY: 1864200 716.8564 2053.7751 1912.8538 123.4990 -206157.9189 17791.0274 0.0000 0.0000 34124.6619 -149435.2453 298.0192 -183559.9072 -149342.2963 297.8028 11.0115 41.2822 556250.9210 -5.6399 -5.6382 LDB: ============= START OF LOAD BALANCING ============== 5570.69 LDB: ============== END OF LOAD BALANCING =============== 5570.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5570.69 LDB: ============= START OF LOAD BALANCING ============== 5570.99 LDB: Largest compute 4796 load 0.026423 is 22.4% of average load 0.118129 LDB: Average compute 0.001716 is 1.5% of average load 0.118129 LDB: TIME 5570.99 LOAD: AVG 0.118129 MAX 0.211179 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 5570.99 LOAD: AVG 0.118129 MAX 0.211179 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: TIME 5570.99 LOAD: AVG 0.118129 MAX 0.211179 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: ============== END OF LOAD BALANCING =============== 5570.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5571 PRESSURE: 1864400 -313.594 108.314 -52.3891 108.314 -8.09387 24.4497 -52.3896 24.4507 -146.434 GPRESSURE: 1864400 -254.309 200.443 -4.26819 69.0908 -36.7339 -25.0283 -116.627 -25.3178 -78.2645 PRESSAVG: 1864400 -73.5024 17.3395 62.5924 17.3395 -0.0344466 26.4319 62.5923 26.4318 68.0397 GPRESSAVG: 1864400 -74.349 16.1694 63.4051 18.7635 -0.373236 26.4302 62.4236 25.6841 69.452 TIMING: 1864400 CPU: 5567.75, 0.00305622/step Wall: 5567.75, 0.00305622/step, 2.66197 hours remaining, 207.792969 MB of memory in use. ENERGY: 1864400 712.8346 2120.6911 1900.4987 102.7827 -205989.4253 17638.2898 0.0000 0.0000 33992.0342 -149522.2941 296.8609 -183514.3283 -149422.5279 298.2649 -156.0406 -123.1023 556515.4021 -1.8324 -1.7567 PRESSURE: 1864600 -414.8 -73.7885 -81.6366 -73.7889 56.6051 -300.259 -81.6368 -300.259 -54.0691 GPRESSURE: 1864600 -319.891 -26.5106 -44.7837 -174.499 50.2991 -263.597 -108.722 -188.904 -35.2429 PRESSAVG: 1864600 -23.8985 -8.0158 13.3137 -8.01579 -0.474272 -38.3786 13.3137 -38.3787 19.8156 GPRESSAVG: 1864600 -24.6783 -4.71702 11.233 -9.2013 -0.15075 -36.3192 15.3102 -38.5126 20.1353 TIMING: 1864600 CPU: 5568.34, 0.00298061/step Wall: 5568.34, 0.00298061/step, 2.59594 hours remaining, 207.996094 MB of memory in use. ENERGY: 1864600 750.5746 2043.3189 1937.1078 108.3031 -206426.2486 17684.9735 0.0000 0.0000 34232.8309 -149669.1398 298.9638 -183901.9708 -149574.2426 298.5247 -137.4213 -101.6117 556213.7286 -1.5191 -1.5646 PRESSURE: 1864800 -348.258 -6.78584 -109.696 -6.78394 -48.9289 -11.604 -109.696 -11.603 -43.015 GPRESSURE: 1864800 -311.629 -38.2567 -181.847 72.1116 -31.4309 -39.2737 -56.74 -8.84191 -16.1647 PRESSAVG: 1864800 -23.8793 -27.2661 8.17855 -27.266 37.3607 -7.12264 8.17852 -7.12265 -4.63567 GPRESSAVG: 1864800 -22.4282 -29.76 11.0317 -27.472 37.2135 -8.68183 6.50375 -8.01389 -5.61552 TIMING: 1864800 CPU: 5568.94, 0.00297403/step Wall: 5568.94, 0.00297403/step, 2.59005 hours remaining, 207.996094 MB of memory in use. ENERGY: 1864800 747.3881 2056.7308 1952.6419 112.2998 -206327.2383 17635.0580 0.0000 0.0000 34053.3017 -149769.8181 297.3960 -183823.1198 -149681.4741 298.3531 -146.7340 -119.7414 556621.5603 2.9486 3.0566 PRESSURE: 1865000 -213.77 130.789 67.9042 130.789 167.356 -15.5753 67.9038 -15.577 -94.7267 GPRESSURE: 1865000 -202.302 113.038 129.167 92.086 192.931 -161.968 109.258 74.4468 -46.8561 PRESSAVG: 1865000 -21.5328 31.4803 9.31544 31.4803 11.4639 11.4653 9.31545 11.4653 5.92304 GPRESSAVG: 1865000 -22.187 33.1997 8.24095 31.0534 11.4518 10.7718 8.90391 12.6168 6.42846 TIMING: 1865000 CPU: 5569.53, 0.00297732/step Wall: 5569.53, 0.00297732/step, 2.59275 hours remaining, 207.996094 MB of memory in use. ENERGY: 1865000 711.1481 2101.5100 1930.4399 106.3910 -206196.1965 17685.2431 0.0000 0.0000 33993.6896 -149667.7748 296.8753 -183661.4645 -149570.8545 297.9023 -47.0469 -18.7422 557313.1314 -1.3820 -1.4356 PRESSURE: 1865200 -23.8563 -33.2836 64.7886 -33.2849 370.023 3.67568 64.7895 3.6773 172.937 GPRESSURE: 1865200 32.7976 -45.9144 14.6381 -111.33 348.734 16.7582 61.2851 -32.8291 244.518 PRESSAVG: 1865200 -18.7284 -10.0592 -34.6036 -10.0593 -7.63948 -32.5574 -34.6036 -32.5575 49.2335 GPRESSAVG: 1865200 -18.3907 -11.1261 -35.7922 -10.0314 -8.22235 -32.2015 -33.4172 -32.0902 50.0478 TIMING: 1865200 CPU: 5570.14, 0.00300934/step Wall: 5570.14, 0.00300934/step, 2.62046 hours remaining, 207.996094 MB of memory in use. ENERGY: 1865200 741.9851 2015.8651 1904.1769 109.5105 -206407.8876 18014.7963 0.0000 0.0000 34107.0033 -149514.5502 297.8649 -183621.5535 -149419.3630 298.2081 173.0347 208.6832 556748.5275 7.6219 7.8116 PRESSURE: 1865400 -76.5803 150.409 1.93159 150.409 -330.693 -0.0389853 1.9315 -0.0388475 -212.068 GPRESSURE: 1865400 -50.224 106.012 -74.7562 117.727 -305.245 12.1411 -7.38576 -18.1137 -153.284 PRESSAVG: 1865400 0.715611 3.82733 5.88394 3.82729 -44.5627 -31.1122 5.88386 -31.1123 54.6793 GPRESSAVG: 1865400 0.778374 4.30762 7.14892 3.74253 -43.6832 -31.3207 3.99229 -33.2172 53.9164 TIMING: 1865400 CPU: 5570.74, 0.00302207/step Wall: 5570.74, 0.00302207/step, 2.63138 hours remaining, 208.066406 MB of memory in use. ENERGY: 1865400 733.0751 2047.0879 1927.4000 107.7508 -206327.5146 17655.8611 0.0000 0.0000 34307.0812 -149549.2585 299.6123 -183856.3396 -149447.8563 298.3742 -206.4471 -169.5843 558836.8310 3.6107 3.6705 PRESSURE: 1865600 -377.052 29.4183 -44.5321 29.4196 65.7669 55.7428 -44.532 55.7425 -76.1505 GPRESSURE: 1865600 -323.058 66.4396 -57.9434 -0.315207 25.5698 85.554 -89.2346 35.7654 3.92124 PRESSAVG: 1865600 -13.5172 42.549 16.1552 42.549 9.66878 10.5525 16.1551 10.5524 -26.0245 GPRESSAVG: 1865600 -13.2335 40.981 16.0403 43.8719 8.985 10.4627 17.6846 10.4182 -25.4663 TIMING: 1865600 CPU: 5571.34, 0.00299335/step Wall: 5571.34, 0.00299335/step, 2.60621 hours remaining, 208.066406 MB of memory in use. ENERGY: 1865600 751.7246 2082.9276 1909.8536 116.7553 -205984.0139 17476.6694 0.0000 0.0000 34060.6195 -149585.4640 297.4599 -183646.0835 -149485.4562 297.9939 -129.1451 -97.8558 557642.3221 -9.9576 -9.9049 PRESSURE: 1865800 6.22846 121.851 101.139 121.852 274.623 2.26956 101.139 2.27059 -4.72301 GPRESSURE: 1865800 100.451 65.3139 56.9879 118.488 269.535 7.91851 123.814 -54.634 9.67658 PRESSAVG: 1865800 -45.5058 36.438 -21.8898 36.4381 19.7616 -37.1856 -21.8898 -37.1855 48.8249 GPRESSAVG: 1865800 -44.7562 37.6582 -22.8126 35.6985 20.1216 -37.0984 -24.0089 -37.4248 48.061 TIMING: 1865800 CPU: 5571.94, 0.00298433/step Wall: 5571.94, 0.00298433/step, 2.59819 hours remaining, 208.066406 MB of memory in use. ENERGY: 1865800 716.9334 2074.2710 1920.5827 103.5313 -206555.4824 18003.6411 0.0000 0.0000 34262.6951 -149473.8279 299.2246 -183736.5229 -149371.3462 298.4949 92.0428 126.5543 557769.8986 7.6936 7.8088 PRESSURE: 1866000 -77.0386 -46.3267 -122.938 -46.3287 26.7712 68.061 -122.939 68.0615 -164.076 GPRESSURE: 1866000 -61.0649 -127.618 -89.3071 -14.7012 76.3873 50.3075 -173.9 42.4635 -129.125 PRESSAVG: 1866000 -23.1549 28.6012 -9.68967 28.6012 36.1396 -42.3583 -9.68961 -42.3582 -21.6119 GPRESSAVG: 1866000 -23.43 28.7839 -9.48337 28.8418 35.9644 -43.1451 -8.25761 -42.6576 -20.8428 TIMING: 1866000 CPU: 5572.54, 0.00300314/step Wall: 5572.54, 0.00300314/step, 2.6144 hours remaining, 208.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1866000 741.5273 2048.7033 1932.7014 113.3019 -206424.6370 17800.9648 0.0000 0.0000 34342.6891 -149444.7491 299.9232 -183787.4382 -149350.5923 299.1526 -71.4479 -37.9342 557326.1452 -2.8757 -2.7695 PRESSURE: 1866200 64.6605 6.20888 -125.01 6.21034 149.818 -171.337 -125.011 -171.337 22.9217 GPRESSURE: 1866200 44.4332 -14.3311 -157.778 -0.494671 223.874 -152.728 -140.379 -180.298 77.8571 PRESSAVG: 1866200 -35.6554 -33.9075 3.97367 -33.9075 76.6757 -8.26091 3.97358 -8.2609 -12.8245 GPRESSAVG: 1866200 -36.4921 -33.8538 3.19596 -35.489 77.082 -6.84053 5.64993 -8.74746 -12.2246 TIMING: 1866200 CPU: 5573.13, 0.00298133/step Wall: 5573.13, 0.00298133/step, 2.59525 hours remaining, 208.066406 MB of memory in use. ENERGY: 1866200 765.8730 2055.3796 1915.0744 107.7835 -206641.6416 18039.6520 0.0000 0.0000 34445.6122 -149312.2670 300.8221 -183757.8791 -149216.6556 298.1920 79.1335 115.3883 556891.4291 9.3986 9.4551 PRESSURE: 1866400 102.608 25.2113 71.4221 25.2118 -26.5027 146.31 71.4212 146.309 -143.344 GPRESSURE: 1866400 102.749 86.3691 89.1875 70.5879 41.2037 206.715 141.231 140.657 -109.939 PRESSAVG: 1866400 -43.363 9.43045 -18.237 9.43045 -8.63502 10.7612 -18.237 10.7613 25.0799 GPRESSAVG: 1866400 -42.7909 11.0684 -17.0369 9.05343 -7.48579 8.52944 -20.2031 14.6198 23.959 TIMING: 1866400 CPU: 5573.73, 0.00296151/step Wall: 5573.73, 0.00296151/step, 2.57783 hours remaining, 208.066406 MB of memory in use. ENERGY: 1866400 738.4717 2121.1601 1966.0221 110.9423 -206070.5692 17729.9334 0.0000 0.0000 34129.9894 -149274.0502 298.0657 -183404.0396 -149186.5946 298.8063 -22.4130 11.3378 556908.1261 -8.9727 -8.7726 PRESSURE: 1866600 -123.39 -26.5789 -60.0533 -26.5798 -82.8268 91.2722 -60.0529 91.2737 -33.18 GPRESSURE: 1866600 -99.7086 -2.93934 -30.7705 -47.6811 -53.0534 117.191 -99.183 114.697 13.4845 PRESSAVG: 1866600 -15.314 34.5371 41.0603 34.5372 34.0988 -5.75083 41.0603 -5.75091 35.1248 GPRESSAVG: 1866600 -15.6282 33.1703 39.8578 35.2548 33.642 -2.0478 42.3621 -9.07001 36.0398 TIMING: 1866600 CPU: 5574.32, 0.00295611/step Wall: 5574.32, 0.00295611/step, 2.57297 hours remaining, 208.066406 MB of memory in use. ENERGY: 1866600 784.1253 2091.5641 1922.0512 119.9422 -205991.2075 17614.7110 0.0000 0.0000 34273.0601 -149185.7536 299.3152 -183458.8137 -149093.0794 298.8456 -79.7991 -46.4258 557246.3490 17.9698 18.0179 PRESSURE: 1866800 21.867 -312.901 81.7165 -312.901 -138.864 54.589 81.7164 54.5896 -174.82 GPRESSURE: 1866800 57.2124 -327.935 36.3337 -290.926 -58.5177 75.9208 12.1477 -43.9727 -187.761 PRESSAVG: 1866800 7.75249 -72.2238 10.5482 -72.2239 37.4076 -31.3832 10.5482 -31.3831 -78.3158 GPRESSAVG: 1866800 8.05741 -72.815 9.39222 -73.0735 37.7243 -33.4698 10.1396 -29.9351 -78.8581 TIMING: 1866800 CPU: 5574.91, 0.00298045/step Wall: 5574.91, 0.00298045/step, 2.59399 hours remaining, 208.066406 MB of memory in use. ENERGY: 1866800 769.1220 2131.0352 1953.1824 116.4273 -206174.8345 17773.6018 0.0000 0.0000 34235.3494 -149196.1164 298.9858 -183431.4658 -149103.7874 299.9014 -97.2724 -63.0221 559654.7952 -11.0519 -11.0255 PRESSURE: 1867000 62.6474 -224.469 11.6613 -224.468 155.144 -50.0115 11.6617 -50.0106 57.4678 GPRESSURE: 1867000 81.4093 -200.43 -4.47567 -217.779 185.639 -28.5941 43.3704 -97.495 108.311 PRESSAVG: 1867000 -34.8084 -37.5284 28.4655 -37.5284 24.3878 32.8925 28.4655 32.8927 -17.2071 GPRESSAVG: 1867000 -34.7649 -39.0118 29.6119 -34.8088 23.2717 31.2127 29.4554 33.1677 -16.3045 TIMING: 1867000 CPU: 5575.51, 0.00296918/step Wall: 5575.51, 0.00296918/step, 2.58401 hours remaining, 208.066406 MB of memory in use. ENERGY: 1867000 749.9632 2049.4137 1925.8016 97.9711 -206431.8045 18019.4105 0.0000 0.0000 34240.8037 -149348.4407 299.0335 -183589.2444 -149254.5530 299.0095 91.7530 125.1198 556995.3698 -9.2092 -9.2659 PRESSURE: 1867200 105.278 -17.3779 -13.7097 -17.3781 325.646 7.63701 -13.7094 7.63698 159.928 GPRESSURE: 1867200 179.588 -1.42318 3.11194 59.9271 319.612 -94.809 -2.173 138.228 186.149 PRESSAVG: 1867200 -25.4619 29.7135 14.0944 29.7134 55.3361 -33.6451 14.0943 -33.6451 -12.9542 GPRESSAVG: 1867200 -24.6451 31.2106 12.6621 28.2017 54.6738 -31.2133 13.8622 -33.334 -12.9092 TIMING: 1867200 CPU: 5576.1, 0.00294497/step Wall: 5576.1, 0.00294497/step, 2.56277 hours remaining, 208.066406 MB of memory in use. ENERGY: 1867200 719.7931 2077.1808 1930.1967 105.3371 -206575.2325 18091.8479 0.0000 0.0000 34121.4075 -149529.4694 297.9907 -183650.8769 -149430.7551 298.3873 196.9508 228.4494 556284.8189 5.6400 5.7065 PRESSURE: 1867400 188.623 31.5406 71.0959 31.5398 39.3646 -7.88183 71.0955 -7.88128 -226.102 GPRESSURE: 1867400 236.237 42.0806 146.392 52.4522 68.2467 -60.7062 47.9176 40.3763 -208.759 PRESSAVG: 1867400 -7.70227 38.4014 1.92177 38.4015 36.6829 19.7042 1.92166 19.7042 -12.9535 GPRESSAVG: 1867400 -7.81925 36.75 2.71054 38.9629 37.1172 18.2155 3.46901 19.9472 -13.9623 TIMING: 1867400 CPU: 5576.69, 0.00296079/step Wall: 5576.69, 0.00296079/step, 2.57638 hours remaining, 208.066406 MB of memory in use. ENERGY: 1867400 711.1033 2064.5041 1928.8141 103.0497 -206350.7145 17771.7941 0.0000 0.0000 34266.6793 -149504.7698 299.2594 -183771.4492 -149417.6593 298.3324 0.6286 31.9083 555783.7703 5.3424 5.1119 PRESSURE: 1867600 -157.592 72.2524 -66.6851 72.2535 -60.2938 -160.359 -66.6864 -160.358 -69.2231 GPRESSURE: 1867600 -132.919 160.69 -6.63593 89.5382 -25.7573 -121.676 -3.45296 -164.222 -31.3594 PRESSAVG: 1867600 -32.7476 26.1154 21.1347 26.1154 48.4065 -27.0612 21.1348 -27.0612 26.2744 GPRESSAVG: 1867600 -33.4493 27.091 21.9383 26.3234 48.978 -25.1514 20.002 -28.9878 26.4154 TIMING: 1867600 CPU: 5577.28, 0.00297139/step Wall: 5577.28, 0.00297139/step, 2.58544 hours remaining, 208.066406 MB of memory in use. ENERGY: 1867600 736.1192 2028.1020 1927.3398 113.0898 -206014.5115 17540.5785 0.0000 0.0000 34266.4131 -149402.8690 299.2571 -183669.2822 -149311.0232 298.6417 -95.7031 -63.3452 556779.5194 13.9778 13.9814 PRESSURE: 1867800 -4.44886 -98.7008 29.4848 -98.7002 146.937 -36.5342 29.4858 -36.537 246.5 GPRESSURE: 1867800 37.7447 -95.1747 4.42346 -54.5808 200.598 -113.789 -15.8901 97.3919 257.3 PRESSAVG: 1867800 -37.533 27.0088 7.32837 27.0088 13.1658 -12.8802 7.32835 -12.8802 45.1467 GPRESSAVG: 1867800 -37.0909 27.7891 6.17963 25.6206 12.5005 -13.8468 7.72342 -13.4335 45.9797 TIMING: 1867800 CPU: 5577.88, 0.00297492/step Wall: 5577.88, 0.00297492/step, 2.58835 hours remaining, 208.066406 MB of memory in use. ENERGY: 1867800 725.0247 2069.4998 1933.4742 109.5747 -206538.7848 18066.6830 0.0000 0.0000 34160.3451 -149474.1832 298.3308 -183634.5283 -149380.0941 298.2476 129.6628 165.2143 555835.7960 6.9265 7.1298 PRESSURE: 1868000 -313.464 45.2498 32.0785 45.2504 -113.17 -10.5552 32.0795 -10.5548 -329.779 GPRESSURE: 1868000 -307.308 24.7495 68.5095 91.8138 -121.586 16.4794 -22.531 -46.3756 -231.707 PRESSAVG: 1868000 -48.8562 -4.85366 -12.7793 -4.85372 -23.8884 -9.11936 -12.7793 -9.11938 59.8085 GPRESSAVG: 1868000 -47.5801 -7.41856 -12.5285 -2.58439 -23.8302 -7.8963 -13.5826 -8.30249 58.7849 TIMING: 1868000 CPU: 5578.48, 0.00302978/step Wall: 5578.48, 0.00302978/step, 2.63591 hours remaining, 208.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1868000 723.4317 2072.4260 1938.7592 105.8415 -205566.5938 17307.5385 0.0000 0.0000 33996.7009 -149421.8962 296.9016 -183418.5970 -149322.5728 298.8514 -252.1376 -220.2004 558960.8552 -4.3120 -4.2085 PRESSURE: 1868200 30.1702 13.1558 -84.2952 13.1564 20.3154 70.7067 -84.2951 70.7063 9.59036 GPRESSURE: 1868200 36.6567 -58.1472 -83.212 21.9737 86.0332 106.799 -50.6444 5.3479 30.4533 PRESSAVG: 1868200 -18.1551 1.74813 10.8858 1.74816 -1.69726 24.9545 10.8857 24.9544 -21.6318 GPRESSAVG: 1868200 -18.8813 3.40112 9.74703 0.0192301 -1.9645 23.6471 10.3048 26.015 -20.9358 TIMING: 1868200 CPU: 5579.09, 0.0030139/step Wall: 5579.09, 0.0030139/step, 2.62192 hours remaining, 208.066406 MB of memory in use. ENERGY: 1868200 751.8329 2062.7548 1925.4104 100.1980 -206431.3807 18053.3618 0.0000 0.0000 34074.9639 -149462.8588 297.5851 -183537.8228 -149372.1321 298.3540 20.0253 51.0477 557629.0421 -13.8281 -13.9272 LDB: ============= START OF LOAD BALANCING ============== 5582.64 LDB: ============== END OF LOAD BALANCING =============== 5582.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5582.64 LDB: ============= START OF LOAD BALANCING ============== 5582.94 LDB: Largest compute 4796 load 0.026266 is 22.2% of average load 0.118185 LDB: Average compute 0.001713 is 1.4% of average load 0.118185 LDB: TIME 5582.94 LOAD: AVG 0.118185 MAX 0.212598 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.535 MB LDB: TIME 5582.94 LOAD: AVG 0.118185 MAX 0.212598 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.738 MB LDB: TIME 5582.94 LOAD: AVG 0.118185 MAX 0.212598 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5582.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5582.95 PRESSURE: 1868400 -133.368 -39.7409 -168.902 -39.7406 -145.022 36.8766 -168.9 36.8755 -277.922 GPRESSURE: 1868400 -72.6529 5.53496 -204.505 -79.6687 -126.748 76.5427 -148.307 48.8712 -259.248 PRESSAVG: 1868400 -10.6919 -67.8777 3.476 -67.8777 -33.6514 38.5053 3.47599 38.5053 35.3185 GPRESSAVG: 1868400 -10.9028 -67.3392 4.88006 -69.6246 -32.6921 39.3469 4.18837 38.209 34.334 TIMING: 1868400 CPU: 5579.7, 0.00307504/step Wall: 5579.7, 0.00307504/step, 2.67495 hours remaining, 207.226562 MB of memory in use. ENERGY: 1868400 755.2066 2067.1757 1931.8765 105.6020 -206099.5068 17706.6170 0.0000 0.0000 34145.8626 -149387.1663 298.2043 -183533.0289 -149298.7951 298.5128 -185.4375 -152.8828 558242.3645 -3.0083 -3.0870 PRESSURE: 1868600 -119.106 -55.5715 48.1856 -55.572 194.081 45.7725 48.1861 45.7724 22.4155 GPRESSURE: 1868600 -107.622 -36.7839 103.874 14.1258 267.865 63.3834 50.2655 51.1191 40.7458 PRESSAVG: 1868600 -18.3186 -12.8068 -10.9633 -12.8067 -19.0313 -27.2961 -10.9634 -27.296 13.7993 GPRESSAVG: 1868600 -17.5082 -13.0131 -12.8767 -11.9868 -19.0224 -26.6135 -11.1385 -28.1812 13.1337 TIMING: 1868600 CPU: 5580.3, 0.00299966/step Wall: 5580.3, 0.00299966/step, 2.6092 hours remaining, 207.226562 MB of memory in use. ENERGY: 1868600 710.8059 2092.0699 1911.1384 100.1099 -206424.6318 17955.0093 0.0000 0.0000 34166.6321 -149488.8662 298.3857 -183655.4983 -149388.9240 298.2407 32.4634 66.9960 558448.0648 -7.8502 -7.7990 PRESSURE: 1868800 12.5469 127.248 -71.5684 127.248 -299.155 -61.0382 -71.5697 -61.0384 -232.982 GPRESSURE: 1868800 -5.2687 144.899 -58.2849 -26.7086 -220.36 -15.0247 -35.7578 -108.785 -203.603 PRESSAVG: 1868800 -64.0786 4.71487 2.20338 4.7148 -37.3757 -14.8802 2.20344 -14.8801 78.5323 GPRESSAVG: 1868800 -64.4544 2.94225 4.85838 3.57127 -37.875 -14.7643 2.48405 -13.3044 79.1659 TIMING: 1868800 CPU: 5580.9, 0.00298403/step Wall: 5580.9, 0.00298403/step, 2.59544 hours remaining, 207.226562 MB of memory in use. ENERGY: 1868800 737.3608 2065.7586 1918.5174 117.7800 -206286.1410 17656.5426 0.0000 0.0000 34110.3562 -149679.8255 297.8942 -183790.1817 -149585.4692 297.8995 -173.1966 -143.0772 557621.7424 -7.6407 -7.7212 PRESSURE: 1869000 -45.4612 51.1244 -73.095 51.125 -144.61 22.6693 -73.0968 22.6708 138.032 GPRESSURE: 1869000 22.8653 -0.279161 -51.5737 12.8224 -87.3897 20.1663 -96.083 -17.4912 115.415 PRESSAVG: 1869000 -34.2576 -32.7195 -8.95674 -32.7195 24.6828 -67.5647 -8.95686 -67.5648 10.1306 GPRESSAVG: 1869000 -34.2397 -28.0462 -10.6544 -33.6262 24.8102 -68.3615 -9.76331 -69.2468 9.60747 TIMING: 1869000 CPU: 5581.49, 0.00297248/step Wall: 5581.49, 0.00297248/step, 2.58523 hours remaining, 207.226562 MB of memory in use. ENERGY: 1869000 780.8016 2056.8563 1938.9875 110.6452 -206554.5599 17952.9937 0.0000 0.0000 34082.1740 -149632.1015 297.6481 -183714.2755 -149538.9842 297.8222 -17.3465 16.9634 557001.2258 0.1853 0.0593 PRESSURE: 1869200 228.775 83.7551 -15.7763 83.7552 -5.22117 -29.7745 -15.7746 -29.7739 7.25346 GPRESSURE: 1869200 250.153 31.0916 -120.495 106.225 37.0568 -81.8684 81.4403 -27.2422 31.5267 PRESSAVG: 1869200 -45.0526 -29.4048 34.1655 -29.4048 -4.6252 29.143 34.1655 29.1429 87.3394 GPRESSAVG: 1869200 -45.5839 -32.1005 34.0843 -26.8597 -4.60881 28.1712 35.3268 30.4657 88.1805 TIMING: 1869200 CPU: 5582.09, 0.00299713/step Wall: 5582.09, 0.00299713/step, 2.60651 hours remaining, 207.226562 MB of memory in use. ENERGY: 1869200 736.6725 2079.6368 1906.3002 109.4383 -206686.7308 18059.7492 0.0000 0.0000 34230.0389 -149564.8948 298.9394 -183794.9337 -149473.2925 297.7695 76.9356 106.2454 557822.4969 12.5538 12.6626 PRESSURE: 1869400 122.637 -6.57294 61.7889 -6.57232 -15.7096 -72.2737 61.7894 -72.2727 -147.02 GPRESSURE: 1869400 126.571 -13.4229 -15.611 -41.8287 -7.66638 -82.9536 161.574 -28.9662 -66.0323 PRESSAVG: 1869400 -35.0595 -50.2882 -28.1124 -50.2882 -27.1351 -0.507563 -28.1124 -0.507489 55.1361 GPRESSAVG: 1869400 -34.7393 -50.4142 -26.2078 -51.3158 -25.783 1.05061 -29.4136 -1.64768 53.466 TIMING: 1869400 CPU: 5582.69, 0.00301379/step Wall: 5582.69, 0.00301379/step, 2.62083 hours remaining, 207.226562 MB of memory in use. ENERGY: 1869400 751.1780 2126.0694 1968.5440 113.3613 -206572.0171 17882.5663 0.0000 0.0000 34225.8709 -149504.4271 298.9030 -183730.2980 -149407.4712 298.9065 -13.3642 17.6243 556348.9475 -2.3528 -2.3521 PRESSURE: 1869600 -138.72 -101.459 -35.2144 -101.46 166.992 171.881 -35.2143 171.881 136.054 GPRESSURE: 1869600 -114.089 -213.258 -85.7501 39.8009 186.431 164.227 -4.49454 186.57 189.564 PRESSAVG: 1869600 -56.4911 -63.3811 -44.3063 -63.3811 14.5315 46.3234 -44.3063 46.3234 31.0038 GPRESSAVG: 1869600 -56.2563 -61.9203 -44.5239 -64.4517 13.7286 44.7804 -43.3772 46.9693 31.6004 TIMING: 1869600 CPU: 5583.29, 0.00300106/step Wall: 5583.29, 0.00300106/step, 2.60959 hours remaining, 207.226562 MB of memory in use. ENERGY: 1869600 739.2344 2092.5863 1929.5538 110.9008 -206468.4973 18096.2232 0.0000 0.0000 33933.3451 -149566.6536 296.3483 -183499.9987 -149477.0883 298.4445 54.7753 87.3017 556350.3756 -3.6520 -3.6424 PRESSURE: 1869800 -175.532 -32.2724 14.3152 -32.2743 -47.0822 80.8054 14.3146 80.8056 -156.633 GPRESSURE: 1869800 -139.088 2.14283 28.8511 -60.9137 3.35302 55.8811 99.666 34.8211 -146.76 PRESSAVG: 1869800 -18.6451 -48.121 -0.77793 -48.121 52.5704 30.6889 -0.777927 30.689 19.6425 GPRESSAVG: 1869800 -19.7141 -48.7476 1.00146 -47.2257 53.1608 32.7422 -1.73451 29.7801 20.0607 TIMING: 1869800 CPU: 5583.89, 0.0029901/step Wall: 5583.89, 0.0029901/step, 2.59989 hours remaining, 207.226562 MB of memory in use. ENERGY: 1869800 788.9960 2074.2550 1964.7122 113.4433 -206483.5513 17803.0946 0.0000 0.0000 34493.8130 -149245.2372 301.2430 -183739.0502 -149150.8930 299.2002 -126.4158 -94.1650 557891.5170 17.8559 17.8358 PRESSURE: 1870000 -82.9805 68.2306 13.979 68.2297 33.3976 65.0586 13.9793 65.0598 142.184 GPRESSURE: 1870000 5.8726 119.692 41.9401 23.6549 30.9547 26.3759 -13.6108 120.068 148.462 PRESSAVG: 1870000 2.4711 -1.78792 1.18844 -1.78778 21.2095 10.9828 1.1884 10.9829 -21.508 GPRESSAVG: 1870000 2.95724 -3.76656 0.322571 -1.76959 20.9993 9.21604 1.34845 9.50093 -22.3796 TIMING: 1870000 CPU: 5584.49, 0.00299701/step Wall: 5584.49, 0.00299701/step, 2.60573 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1870000 748.1251 2027.0372 1932.9179 122.3628 -206331.3405 17922.2795 0.0000 0.0000 34364.2915 -149214.3265 300.1119 -183578.6180 -149115.4146 298.6698 30.8671 61.7632 558504.0638 0.7242 0.5256 PRESSURE: 1870200 -226.609 -15.021 -93.1153 -15.0223 -228.918 -132.127 -93.1163 -132.126 18.4548 GPRESSURE: 1870200 -209.615 -2.86852 -45.6527 -47.6565 -172.903 -85.4667 -39.6825 -154.764 46.3645 PRESSAVG: 1870200 -16.1618 19.8952 -27.6891 19.8952 47.7521 27.4512 -27.6891 27.4513 -30.6708 GPRESSAVG: 1870200 -17.1904 20.9486 -30.4757 19.6236 47.796 29.4376 -27.1684 27.4135 -30.2402 TIMING: 1870200 CPU: 5585.09, 0.00298102/step Wall: 5585.09, 0.00298102/step, 2.59167 hours remaining, 207.226562 MB of memory in use. ENERGY: 1870200 742.6128 2105.2480 1938.6634 116.3081 -206179.5675 17689.0712 0.0000 0.0000 34241.4106 -149346.2534 299.0388 -183587.6640 -149256.3895 298.9203 -145.6907 -112.0509 558350.6686 0.3065 0.1218 PRESSURE: 1870400 -79.1672 -37.3237 -94.7058 -37.3236 34.5294 44.9268 -94.7058 44.9276 -0.414248 GPRESSURE: 1870400 -25.9245 -91.7406 -93.3685 -25.4934 78.59 27.1778 -76.2171 12.9743 -1.14667 PRESSAVG: 1870400 36.2162 12.8875 -6.63008 12.8874 -45.8772 -27.2965 -6.63011 -27.2966 -18.5662 GPRESSAVG: 1870400 38.0522 12.6153 -6.64831 13.6642 -46.8747 -28.7522 -6.37135 -27.1165 -19.0567 TIMING: 1870400 CPU: 5585.68, 0.00295712/step Wall: 5585.68, 0.00295712/step, 2.57072 hours remaining, 207.226562 MB of memory in use. ENERGY: 1870400 720.3867 2122.1789 1945.4254 109.0864 -206135.5310 17669.6053 0.0000 0.0000 34325.8304 -149243.0180 299.7760 -183568.8484 -149144.8755 299.5993 -15.0174 17.1730 557773.1204 -9.4091 -9.2931 PRESSURE: 1870600 163.145 -83.3573 50.7303 -83.3552 -146.947 -61.2522 50.7316 -61.2547 -9.78405 GPRESSURE: 1870600 159.202 -165.795 10.3358 -82.413 -100.371 -17.988 116.353 -95.6096 50.0618 PRESSAVG: 1870600 9.30304 -10.1717 6.26542 -10.1717 -38.5337 32.9238 6.26545 32.9237 34.1772 GPRESSAVG: 1870600 8.04159 -10.4931 8.47052 -9.72228 -38.3081 34.2195 6.42564 34.4268 34.9735 TIMING: 1870600 CPU: 5586.27, 0.0029597/step Wall: 5586.27, 0.0029597/step, 2.57281 hours remaining, 207.226562 MB of memory in use. ENERGY: 1870600 785.0748 2101.3195 1942.7185 128.8663 -206639.5339 17779.9527 0.0000 0.0000 34672.3959 -149229.2063 302.8027 -183901.6022 -149137.9780 300.0185 2.1379 36.2975 556521.0794 1.6489 1.5690 PRESSURE: 1870800 95.9898 -34.2126 72.7441 -34.2137 284.074 -13.6322 72.7445 -13.6325 277.962 GPRESSURE: 1870800 156.43 -43.003 162.642 5.19704 263.954 -72.2868 138.442 -55.9418 320.867 PRESSAVG: 1870800 51.0423 -44.9989 -39.1549 -44.9989 -21.2642 12.6585 -39.1549 12.6584 -63.851 GPRESSAVG: 1870800 51.142 -43.8162 -41.5192 -45.537 -21.8105 11.9192 -38.2083 13.0901 -63.6195 TIMING: 1870800 CPU: 5586.87, 0.00297035/step Wall: 5586.87, 0.00297035/step, 2.58189 hours remaining, 207.226562 MB of memory in use. ENERGY: 1870800 732.4681 2171.6314 1930.6350 106.6282 -206837.7669 18204.2996 0.0000 0.0000 34325.1288 -149366.9757 299.7699 -183692.1045 -149273.0923 299.0669 219.3417 247.0838 557211.5961 -11.3576 -11.4294 PRESSURE: 1871000 -225.732 -119.113 -77.0667 -119.114 12.4005 -9.85219 -77.0665 -9.85363 2.30084 GPRESSURE: 1871000 -276.606 -111.152 -202.579 -112.114 66.7854 72.809 -65.5045 -102.501 82.7333 PRESSAVG: 1871000 68.8907 -33.5476 -73.1608 -33.5477 -60.0427 -18.0906 -73.1608 -18.0905 -43.6721 GPRESSAVG: 1871000 68.7301 -33.5136 -73.1395 -33.0561 -59.8996 -17.6585 -74.1882 -19.1009 -44.0808 TIMING: 1871000 CPU: 5587.46, 0.00296619/step Wall: 5587.46, 0.00296619/step, 2.57811 hours remaining, 207.226562 MB of memory in use. ENERGY: 1871000 765.9242 2057.1030 1945.6098 117.2560 -206125.8574 17794.2967 0.0000 0.0000 34163.9253 -149281.7424 298.3621 -183445.6677 -149184.0934 299.4072 -70.3435 -42.3623 557690.3707 -11.6081 -11.7501 PRESSURE: 1871200 -203.193 -236.453 42.2703 -236.453 -99.5964 -14.2565 42.2717 -14.2554 -301.099 GPRESSURE: 1871200 -165.47 -233.384 24.5457 -212.262 -83.6907 -41.4899 90.639 -90.6326 -269.911 PRESSAVG: 1871200 12.5559 -30.0392 -46.316 -30.0392 8.46316 -15.4638 -46.316 -15.4638 1.17388 GPRESSAVG: 1871200 13.5847 -30.7843 -44.6142 -32.0644 7.84455 -17.8164 -46.4685 -15.5219 0.452932 TIMING: 1871200 CPU: 5588.05, 0.00297648/step Wall: 5588.05, 0.00297648/step, 2.58689 hours remaining, 207.226562 MB of memory in use. ENERGY: 1871200 732.7825 2138.5581 1926.8691 108.7315 -205748.1552 17311.8474 0.0000 0.0000 34112.7179 -149416.6487 297.9148 -183529.3666 -149327.0340 299.0281 -201.2961 -173.0240 557845.7247 7.3976 7.2941 PRESSURE: 1871400 -22.7844 120.511 -124.485 120.512 29.6601 -79.0097 -124.486 -79.0105 34.8231 GPRESSURE: 1871400 24.8712 119.427 -137.769 126.211 29.0546 7.51912 -122.116 -62.3404 91.601 PRESSAVG: 1871400 -1.46794 -36.9408 -32.0563 -36.9409 9.20279 -22.2342 -32.0564 -22.2342 -18.7965 GPRESSAVG: 1871400 -2.14546 -35.4167 -33.7833 -35.8335 9.99345 -21.1602 -34.0704 -23.1653 -18.8383 TIMING: 1871400 CPU: 5588.65, 0.00298541/step Wall: 5588.65, 0.00298541/step, 2.59449 hours remaining, 207.527344 MB of memory in use. ENERGY: 1871400 746.3211 2109.0638 1965.0541 124.4519 -206608.7739 18067.8145 0.0000 0.0000 34222.9450 -149373.1236 298.8775 -183596.0686 -149266.0395 298.9051 13.8996 48.5089 556963.9084 -3.6872 -3.6634 PRESSURE: 1871600 -44.1403 268.216 -52.4714 268.216 8.62814 195.37 -52.472 195.371 -9.28614 GPRESSURE: 1871600 -26.051 332.759 -92.9855 209.564 81.9173 169.189 -3.34744 203.553 0.543435 PRESSAVG: 1871600 65.4525 -11.7818 45.2347 -11.7817 17.69 -2.69986 45.2347 -2.69994 -46.1755 GPRESSAVG: 1871600 65.6168 -12.7889 45.3121 -13.531 17.4609 -4.33318 47.7008 -0.551764 -46.6572 TIMING: 1871600 CPU: 5589.25, 0.00300068/step Wall: 5589.25, 0.00300068/step, 2.60759 hours remaining, 207.527344 MB of memory in use. ENERGY: 1871600 726.4924 2030.7578 1921.2454 100.6528 -206343.1170 17830.2028 0.0000 0.0000 34285.2300 -149448.5358 299.4214 -183733.7658 -149341.8189 299.1227 -14.9328 18.8033 557779.9952 12.3223 12.1402 PRESSURE: 1871800 -17.5835 28.6733 74.2767 28.6716 128.959 -39.6484 74.2775 -39.6493 -244.162 GPRESSURE: 1871800 23.2323 -14.6979 126.797 119.944 154.681 -36.3377 41.6019 -65.0475 -218.237 PRESSAVG: 1871800 -21.6761 32.8172 -23.9056 32.8171 18.423 88.234 -23.9056 88.234 19.5442 GPRESSAVG: 1871800 -22.0373 32.4533 -24.2927 32.8019 17.7814 89.6255 -24.8388 86.6032 20.1694 TIMING: 1871800 CPU: 5589.85, 0.00299589/step Wall: 5589.85, 0.00299589/step, 2.60326 hours remaining, 207.527344 MB of memory in use. ENERGY: 1871800 767.2858 2053.6785 1942.0362 109.3813 -206269.9797 17720.8375 0.0000 0.0000 34191.3005 -149485.4599 298.6011 -183676.7604 -149385.8224 299.4248 -44.2620 -13.4412 557450.9473 5.4304 5.3045 PRESSURE: 1872000 35.6857 -32.7422 -15.0213 -32.743 -47.4335 65.7192 -15.0218 65.7189 -13.6956 GPRESSURE: 1872000 22.4743 -80.4477 -24.6973 -71.1965 -2.084 46.627 1.46154 -51.8416 46.1248 PRESSAVG: 1872000 11.3713 13.3891 5.94984 13.3891 -33.0407 -17.5188 5.94991 -17.5188 7.21189 GPRESSAVG: 1872000 12.1829 13.7163 6.90669 14.4553 -33.3539 -16.5345 6.93674 -18.2958 7.26499 TIMING: 1872000 CPU: 5590.45, 0.00297604/step Wall: 5590.45, 0.00297604/step, 2.58584 hours remaining, 207.527344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1872000 747.4885 2102.7647 1927.3242 103.8084 -206663.3716 17796.1962 0.0000 0.0000 34339.4743 -149646.3153 299.8952 -183985.7896 -149542.0088 298.9414 -8.4811 22.1717 557222.7422 -4.8192 -4.6353 PRESSURE: 1872200 100.662 68.6585 -13.141 68.6585 -155.259 -45.2055 -13.1401 -45.204 -278.769 GPRESSURE: 1872200 185.878 25.6401 -3.64049 141 -99.8527 55.0368 59.9763 -150.689 -303.472 PRESSAVG: 1872200 76.483 26.9721 -24.5171 26.9721 -21.7888 15.7589 -24.5172 15.759 -25.9689 GPRESSAVG: 1872200 74.4303 24.7503 -23.0801 27.4839 -20.5699 16.1095 -27.8367 16.7728 -24.6384 TIMING: 1872200 CPU: 5591.04, 0.002965/step Wall: 5591.04, 0.002965/step, 2.57609 hours remaining, 207.527344 MB of memory in use. ENERGY: 1872200 739.8204 2032.5014 1917.7174 110.6785 -206165.6544 17722.5768 0.0000 0.0000 34136.1592 -149506.2008 298.1196 -183642.3600 -149408.6469 297.7469 -111.1220 -72.4820 557316.7607 9.5751 9.7407 LDB: ============= START OF LOAD BALANCING ============== 5594.59 LDB: ============== END OF LOAD BALANCING =============== 5594.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5594.59 LDB: ============= START OF LOAD BALANCING ============== 5594.89 LDB: Largest compute 4796 load 0.025827 is 21.8% of average load 0.118231 LDB: Average compute 0.001722 is 1.5% of average load 0.118231 LDB: TIME 5594.89 LOAD: AVG 0.118231 MAX 0.212228 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.93 MB LDB: TIME 5594.89 LOAD: AVG 0.118231 MAX 0.212228 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.129 MB LDB: TIME 5594.89 LOAD: AVG 0.118231 MAX 0.212228 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.129 MB LDB: ============== END OF LOAD BALANCING =============== 5594.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5594.9 PRESSURE: 1872400 65.4511 73.3104 29.1964 73.3119 193.683 45.6815 29.196 45.6805 270.903 GPRESSURE: 1872400 97.2771 13.3709 24.9405 129.652 279.26 6.13919 47.6287 47.274 230.676 PRESSAVG: 1872400 -18.6647 32.4034 -11.7627 32.4034 49.137 -10.4045 -11.7628 -10.4045 -40.3625 GPRESSAVG: 1872400 -19.0962 31.806 -12.6256 31.9547 49.7228 -8.56764 -9.47694 -10.1267 -40.8552 TIMING: 1872400 CPU: 5591.65, 0.00305911/step Wall: 5591.65, 0.00305911/step, 2.65769 hours remaining, 206.136719 MB of memory in use. ENERGY: 1872400 732.4374 2142.8629 1946.2029 110.5386 -206590.3178 18034.4702 0.0000 0.0000 34159.7627 -149464.0432 298.3257 -183623.8058 -149370.6508 297.9042 176.6789 202.4043 556187.8205 -3.2968 -3.4095 PRESSURE: 1872600 44.7864 42.762 -104.007 42.7614 -34.563 -65.1516 -104.007 -65.1504 -43.1254 GPRESSURE: 1872600 95.7562 54.192 -8.47703 64.4123 -32.9357 -92.6949 -117.097 -133.493 -13.0084 PRESSAVG: 1872600 -13.1411 44.0463 -53.1991 44.0462 46.4967 25.4648 -53.199 25.4648 -2.73625 GPRESSAVG: 1872600 -11.9825 44.7544 -53.1516 45.5642 45.4526 24.4861 -53.503 25.9452 -3.38218 TIMING: 1872600 CPU: 5592.25, 0.00297506/step Wall: 5592.25, 0.00297506/step, 2.5845 hours remaining, 206.136719 MB of memory in use. ENERGY: 1872600 742.8543 2139.4188 1916.8953 112.3620 -206439.8104 17781.6484 0.0000 0.0000 34404.4315 -149342.2001 300.4625 -183746.6316 -149246.2724 298.2370 -10.9673 16.6041 556888.0402 10.2065 10.0293 PRESSURE: 1872800 -344.615 -31.7272 78.2494 -31.7279 31.3958 -17.3592 78.2492 -17.3569 -227.61 GPRESSURE: 1872800 -344.373 -16.8741 148.443 -29.1368 99.1732 -61.585 -25.4562 -42.5938 -183.647 PRESSAVG: 1872800 22.4002 55.4183 39.2961 55.4183 -21.5896 28.6572 39.2961 28.6573 28.0053 GPRESSAVG: 1872800 21.3963 56.1803 38.4318 54.6775 -20.9136 27.6657 38.9011 28.8093 28.6551 TIMING: 1872800 CPU: 5592.85, 0.00300068/step Wall: 5592.85, 0.00300068/step, 2.60659 hours remaining, 206.136719 MB of memory in use. ENERGY: 1872800 739.5035 2102.3811 1951.2240 111.9084 -206073.5149 17548.7381 0.0000 0.0000 34237.9775 -149381.7824 299.0088 -183619.7599 -149283.1802 298.7810 -180.2762 -142.9488 557191.8299 9.6053 9.7126 PRESSURE: 1873000 -10.9977 -84.1555 134.035 -84.1561 -172.749 -100.688 134.034 -100.688 -131.107 GPRESSURE: 1873000 30.3717 -40.4236 167.22 -176.616 -133.628 -87.3458 160.512 -69.5003 -112.11 PRESSAVG: 1873000 -38.686 -13.1717 42.9351 -13.1718 15.6117 5.32686 42.935 5.3268 -4.54287 GPRESSAVG: 1873000 -37.8897 -13.372 43.095 -13.2726 15.4344 5.69052 42.9052 4.44381 -4.60953 TIMING: 1873000 CPU: 5593.44, 0.00299666/step Wall: 5593.44, 0.00299666/step, 2.60293 hours remaining, 206.136719 MB of memory in use. ENERGY: 1873000 738.9608 2096.7266 1969.2420 117.0844 -206217.0819 17637.3722 0.0000 0.0000 34304.5038 -149353.1921 299.5898 -183657.6958 -149260.0071 298.5596 -104.9511 -71.7889 556025.7455 -9.2057 -9.0216 PRESSURE: 1873200 -83.7505 103.455 -123.695 103.455 -259.188 49.4577 -123.695 49.457 -136.072 GPRESSURE: 1873200 -5.9609 172.862 -54.1849 49.2102 -196.491 106.58 -137.024 19.9982 -179.413 PRESSAVG: 1873200 -5.443 -14.5464 68.7246 -14.5464 -10.6098 53.8798 68.7248 53.8797 51.8003 GPRESSAVG: 1873200 -4.99459 -13.5734 69.3148 -14.6202 -9.94884 54.3315 69.3356 52.6519 50.8453 TIMING: 1873200 CPU: 5594.04, 0.00297966/step Wall: 5594.04, 0.00297966/step, 2.588 hours remaining, 206.136719 MB of memory in use. ENERGY: 1873200 742.4326 2123.0076 1940.6020 104.1974 -206003.9438 17483.5528 0.0000 0.0000 34186.5089 -149423.6425 298.5593 -183610.1514 -149328.9094 299.2431 -159.6701 -127.2885 556699.2141 11.9158 11.9673 PRESSURE: 1873400 -106.03 -118.073 -75.677 -118.073 107.307 100.588 -75.6773 100.589 -86.1294 GPRESSURE: 1873400 -40.0405 -95.4526 -37.9511 -115.446 92.4611 76.2921 -32.6592 84.1629 -37.8651 PRESSAVG: 1873400 -31.4605 54.6385 24.4026 54.6385 -10.9529 65.3056 24.4026 65.3056 28.0128 GPRESSAVG: 1873400 -30.8979 54.2949 21.8371 56.5194 -11.8999 65.3177 27.1315 66.7523 28.5581 TIMING: 1873400 CPU: 5594.63, 0.00295869/step Wall: 5594.63, 0.00295869/step, 2.56962 hours remaining, 206.136719 MB of memory in use. ENERGY: 1873400 743.5700 2124.8966 1972.9781 130.4382 -206337.2318 17801.8011 0.0000 0.0000 34285.6000 -149277.9478 299.4247 -183563.5478 -149178.2235 299.4450 -28.2840 4.8518 556672.8272 -4.8002 -4.7466 PRESSURE: 1873600 199.452 159.329 103.781 159.329 -23.8161 -13.1591 103.782 -13.1591 -47.4978 GPRESSURE: 1873600 214.262 177.455 68.4024 126.95 6.35272 -38.4234 29.3686 12.6929 14.724 PRESSAVG: 1873600 -0.828961 20.3108 58.5833 20.3108 -40.6369 16.3394 58.5832 16.3394 36.0715 GPRESSAVG: 1873600 -2.43193 20.9873 62.2528 17.1531 -40.1887 17.2225 55.3802 15.4107 37.1219 TIMING: 1873600 CPU: 5595.23, 0.00297055/step Wall: 5595.23, 0.00297055/step, 2.57976 hours remaining, 206.136719 MB of memory in use. ENERGY: 1873600 730.6331 2110.3452 1956.7018 113.4590 -206418.7026 17828.7550 0.0000 0.0000 34410.3671 -149268.4414 300.5143 -183678.8085 -149165.9810 299.8309 42.7126 78.4464 556330.1826 -1.7982 -1.8329 PRESSURE: 1873800 52.452 50.5307 114.744 50.5302 91.0231 149.058 114.744 149.058 223.849 GPRESSURE: 1873800 43.8362 33.8737 123.906 43.8829 154.437 198.043 135.037 73.7807 250.653 PRESSAVG: 1873800 16.0668 -13.0148 -49.4388 -13.0149 -37.713 -18.0379 -49.4388 -18.0378 91.644 GPRESSAVG: 1873800 17.6702 -11.9907 -53.7711 -10.7481 -38.1288 -19.8627 -47.8749 -16.9435 90.5895 TIMING: 1873800 CPU: 5595.82, 0.00297207/step Wall: 5595.82, 0.00297207/step, 2.58091 hours remaining, 206.136719 MB of memory in use. ENERGY: 1873800 743.2333 2141.1640 1978.5820 119.0712 -206915.2687 18061.9795 0.0000 0.0000 34354.8518 -149516.3868 300.0295 -183871.2387 -149420.7341 299.8144 122.4415 149.6421 556477.3362 23.3326 23.3770 PRESSURE: 1874000 -176.336 72.786 -112.164 72.786 -2.73967 36.0905 -112.163 36.0904 -199.445 GPRESSURE: 1874000 -156.638 73.5942 -100.506 69.1847 -23.0456 1.29564 -101.605 -45.2465 -116.986 PRESSAVG: 1874000 -57.3297 -43.4014 30.2881 -43.4015 -4.08046 -7.62908 30.2881 -7.62905 42.3266 GPRESSAVG: 1874000 -58.2634 -45.0163 33.2456 -44.6201 -2.98732 -8.71087 30.8197 -6.84445 42.0875 TIMING: 1874000 CPU: 5596.42, 0.00299088/step Wall: 5596.42, 0.00299088/step, 2.59708 hours remaining, 206.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1874000 744.1168 2066.8182 1974.3652 115.7562 -206318.4606 17708.4412 0.0000 0.0000 34176.9076 -149532.0554 298.4754 -183708.9630 -149437.4081 299.0674 -126.1735 -98.8899 557350.8917 -6.3612 -6.3877 PRESSURE: 1874200 23.0426 -26.9821 -109.148 -26.9816 92.5141 47.9361 -109.148 47.9365 221.181 GPRESSURE: 1874200 52.5664 -65.2176 -98.1994 8.25423 152.725 -68.1751 -99.1719 47.9609 236.183 PRESSAVG: 1874200 30.303 -39.941 -67.228 -39.9409 -9.91044 -8.04392 -67.2281 -8.04399 -2.61927 GPRESSAVG: 1874200 31.241 -40.0173 -66.6671 -39.8366 -10.9514 -6.19615 -69.4336 -9.41353 -1.89968 TIMING: 1874200 CPU: 5597.02, 0.00298216/step Wall: 5597.02, 0.00298216/step, 2.58935 hours remaining, 206.136719 MB of memory in use. ENERGY: 1874200 741.3093 2065.6107 1934.6324 108.2727 -206543.1028 17902.1147 0.0000 0.0000 34364.9821 -149426.1810 300.1179 -183791.1630 -149334.4448 299.2819 112.2459 147.1579 555950.3295 5.9244 6.1300 PRESSURE: 1874400 -133.736 47.5142 -32.9203 47.5123 17.6307 83.5736 -32.9221 83.5726 81.8281 GPRESSURE: 1874400 -84.7857 35.2456 -17.9084 63.1109 50.4034 84.7063 8.94162 126.52 97.0141 PRESSAVG: 1874400 19.7962 19.9917 2.12646 19.9917 27.2399 15.8886 2.12641 15.8887 -19.9285 GPRESSAVG: 1874400 18.8828 18.5477 0.528152 21.3765 28.268 16.7579 3.85814 13.6947 -19.6405 TIMING: 1874400 CPU: 5597.61, 0.00299028/step Wall: 5597.61, 0.00299028/step, 2.59622 hours remaining, 206.136719 MB of memory in use. ENERGY: 1874400 757.4459 2068.4266 1942.5528 115.5447 -206455.7070 17850.6761 0.0000 0.0000 34300.3912 -149420.6697 299.5538 -183721.0609 -149330.6315 298.8483 -11.4256 20.8772 556407.0196 9.0359 9.1701 PRESSURE: 1874600 -114.748 100.768 90.4981 100.768 -30.5115 106.389 90.4986 106.388 81.2367 GPRESSURE: 1874600 -109.17 101.455 65.337 29.3975 -6.42443 107.473 132.482 1.61121 135.513 PRESSAVG: 1874600 4.06975 3.14502 -20.088 3.1451 36.2721 15.7431 -20.0881 15.743 -0.888106 GPRESSAVG: 1874600 3.73847 3.61203 -20.9356 2.87323 35.572 15.2123 -21.4147 17.7514 -0.137496 TIMING: 1874600 CPU: 5598.21, 0.00298818/step Wall: 5598.21, 0.00298818/step, 2.59423 hours remaining, 206.136719 MB of memory in use. ENERGY: 1874600 725.8887 2107.7827 1933.1098 122.8162 -206300.8060 17700.1957 0.0000 0.0000 34344.2108 -149366.8019 299.9365 -183711.0128 -149261.7621 299.3058 -21.3409 6.6394 557030.1206 13.1513 13.0577 PRESSURE: 1874800 -72.4821 49.5268 179.574 49.526 -51.5441 192.505 179.573 192.506 -221.083 GPRESSURE: 1874800 -36.2142 66.2442 151.437 65.425 5.84654 253.212 105.096 157.349 -226.042 PRESSAVG: 1874800 -56.3184 18.4278 5.18325 18.4278 -30.624 -11.1278 5.18325 -11.1279 67.6534 GPRESSAVG: 1874800 -56.012 19.5062 6.54723 16.7502 -30.4708 -8.37757 4.66061 -11.239 67.3144 TIMING: 1874800 CPU: 5598.81, 0.00298837/step Wall: 5598.81, 0.00298837/step, 2.59424 hours remaining, 206.136719 MB of memory in use. ENERGY: 1874800 771.5876 2120.0314 1907.7431 127.1178 -206047.1072 17649.9962 0.0000 0.0000 34019.5714 -149451.0598 297.1014 -183470.6312 -149359.5901 298.2642 -115.0363 -85.4700 557814.0316 -6.4297 -6.3895 PRESSURE: 1875000 51.3118 21.2233 -45.6971 21.2242 82.5024 171.824 -45.6973 171.824 49.3144 GPRESSURE: 1875000 65.6557 33.7132 -50.8861 16.8693 86.0131 207.909 -76.0087 93.4056 123.411 PRESSAVG: 1875000 -9.12477 12.0096 -41.4233 12.0096 33.5934 9.27925 -41.4234 9.27934 8.89 GPRESSAVG: 1875000 -8.62011 12.947 -42.6881 12.6141 33.4653 8.406 -40.7259 9.05409 9.38637 TIMING: 1875000 CPU: 5599.4, 0.00297387/step Wall: 5599.4, 0.00297387/step, 2.58148 hours remaining, 206.136719 MB of memory in use. ENERGY: 1875000 752.9339 2082.3934 1945.8724 109.5712 -206365.4159 17882.7958 0.0000 0.0000 34256.6309 -149335.2184 299.1717 -183591.8493 -149238.6577 298.1221 61.0429 91.6932 557369.5647 11.1195 11.4105 PRESSURE: 1875200 11.0895 -113.459 -0.230129 -113.459 -7.70011 -40.333 -0.230725 -40.3312 -87.2047 GPRESSURE: 1875200 5.90242 -203.239 50.6469 -51.5051 58.2553 -106.552 46.296 26.8189 -53.4563 PRESSAVG: 1875200 39.5395 10.0049 -22.4769 10.0049 -10.6007 11.8478 -22.477 11.8477 -16.6435 GPRESSAVG: 1875200 39.1477 8.02893 -22.4593 10.7067 -9.83093 10.6576 -22.8966 12.1848 -16.7703 TIMING: 1875200 CPU: 5600.01, 0.00301662/step Wall: 5600.01, 0.00301662/step, 2.61842 hours remaining, 206.136719 MB of memory in use. ENERGY: 1875200 785.3420 2076.6405 1933.2227 122.0303 -206620.7033 17931.2070 0.0000 0.0000 34193.5564 -149578.7044 298.6208 -183772.2608 -149488.1945 298.4334 -27.9384 3.5671 557230.2364 4.0984 4.1821 PRESSURE: 1875400 11.6342 62.395 114.86 62.3953 -23.0996 199.974 114.861 199.975 35.7103 GPRESSURE: 1875400 44.7102 145.231 115.042 35.62 80.6153 180.626 49.6887 238.469 -0.591847 PRESSAVG: 1875400 -33.4144 45.6105 24.8493 45.6106 38.7809 4.9105 24.8494 4.91049 -45.3185 GPRESSAVG: 1875400 -33.2185 46.6164 24.8199 44.5928 38.5665 5.16719 26.388 4.05775 -45.0965 TIMING: 1875400 CPU: 5600.6, 0.00297885/step Wall: 5600.6, 0.00297885/step, 2.58548 hours remaining, 206.136719 MB of memory in use. ENERGY: 1875400 735.4865 2064.3869 1951.4263 109.0718 -206507.2737 17911.0208 0.0000 0.0000 34119.0909 -149616.7905 297.9705 -183735.8814 -149520.1899 297.5815 8.0816 41.5779 557918.2155 -13.3174 -13.2495 PRESSURE: 1875600 106.876 -56.2023 -95.1734 -56.202 165.581 -61.6656 -95.1748 -61.6655 -100.459 GPRESSURE: 1875600 121.154 -49.105 -24.9655 -113.894 228.999 -71.0386 -153.484 -159.578 -79.389 PRESSAVG: 1875600 -8.14738 52.8044 1.74757 52.8046 -14.3374 -33.9836 1.74755 -33.9835 -10.606 GPRESSAVG: 1875600 -7.38003 51.7372 2.16059 54.2252 -13.3405 -34.0216 0.430106 -33.9235 -12.0338 TIMING: 1875600 CPU: 5601.2, 0.00297907/step Wall: 5601.2, 0.00297907/step, 2.5855 hours remaining, 206.136719 MB of memory in use. ENERGY: 1875600 760.4825 2107.5501 1929.9251 98.0094 -206628.1506 18030.3142 0.0000 0.0000 34190.7139 -149511.1554 298.5960 -183701.8693 -149408.0081 298.5113 57.3328 90.2549 556168.2902 -11.0303 -10.9181 PRESSURE: 1875800 1.40413 -63.7002 66.1548 -63.7009 -146 95.7601 66.1543 95.7609 -68.8738 GPRESSURE: 1875800 -22.2445 -85.8865 75.574 -22.0511 -68.5962 96.5932 93.8419 63.3395 -16.7637 PRESSAVG: 1875800 -6.41742 10.5317 3.2723 10.5318 -8.22492 -25.4321 3.2724 -25.4322 13.2566 GPRESSAVG: 1875800 -7.49784 10.1023 2.34771 10.6941 -8.05983 -25.592 2.19418 -24.195 14.0159 TIMING: 1875800 CPU: 5601.79, 0.00297071/step Wall: 5601.79, 0.00297071/step, 2.57808 hours remaining, 206.136719 MB of memory in use. ENERGY: 1875800 762.9090 2119.2921 1974.9491 115.9158 -206702.3382 17947.8018 0.0000 0.0000 34226.7280 -149554.7422 298.9105 -183781.4703 -149456.1655 298.9369 -71.1565 -35.8681 555684.2447 -0.4619 -0.5139 PRESSURE: 1876000 -162.856 -206.209 -19.0295 -206.207 -248.703 176.655 -19.0294 176.655 -141.178 GPRESSURE: 1876000 -106.415 -230.407 21.8479 -154.484 -239.994 103.232 -36.1491 246.616 -115.09 PRESSAVG: 1876000 42.5818 -15.7896 35.764 -15.7896 2.71528 21.641 35.764 21.6411 -26.3211 GPRESSAVG: 1876000 42.7544 -14.4661 36.9435 -15.489 1.40353 21.3888 35.5612 21.3351 -25.6299 TIMING: 1876000 CPU: 5602.39, 0.00296914/step Wall: 5602.39, 0.00296914/step, 2.57656 hours remaining, 206.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1876000 723.0043 2081.0528 1953.6603 110.6961 -206096.0329 17617.7823 0.0000 0.0000 33979.8401 -149629.9970 296.7544 -183609.8371 -149535.2014 298.4520 -184.2457 -153.8332 557771.3803 6.3253 6.1760 PRESSURE: 1876200 18.5096 -34.3609 99.0792 -34.3626 113.993 38.9153 99.0811 38.9159 61.5026 GPRESSURE: 1876200 93.3779 -61.0033 235.581 -17.5055 106.574 10.3397 53.8607 23.697 90.9607 PRESSAVG: 1876200 -16.0777 23.5448 -13.5806 23.5447 13.062 11.1201 -13.5806 11.1203 -0.966157 GPRESSAVG: 1876200 -16.2529 24.1454 -12.7737 22.7364 13.929 10.9254 -11.5175 11.8832 -1.85509 TIMING: 1876200 CPU: 5602.98, 0.00298798/step Wall: 5602.98, 0.00298798/step, 2.59274 hours remaining, 206.203125 MB of memory in use. ENERGY: 1876200 732.7083 2153.9416 1927.3799 128.6314 -206821.2725 17978.5398 0.0000 0.0000 34250.8480 -149649.2235 299.1212 -183900.0715 -149558.3360 298.1856 64.6686 96.9709 557039.8641 -1.3273 -1.3930 LDB: ============= START OF LOAD BALANCING ============== 5606.53 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5606.53 LDB: =============== DONE WITH MIGRATION ================ 5606.54 LDB: ============= START OF LOAD BALANCING ============== 5606.84 LDB: Largest compute 4796 load 0.025554 is 21.6% of average load 0.118217 LDB: Average compute 0.001718 is 1.5% of average load 0.118217 LDB: TIME 5606.84 LOAD: AVG 0.118217 MAX 0.215145 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.996 MB LDB: TIME 5606.84 LOAD: AVG 0.118217 MAX 0.215145 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.195 MB LDB: TIME 5606.84 LOAD: AVG 0.118217 MAX 0.215145 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.195 MB LDB: ============== END OF LOAD BALANCING =============== 5606.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5606.85 PRESSURE: 1876400 -102.611 -110.03 -53.4499 -110.031 -68.1205 -131.805 -53.4487 -131.804 -99.2299 GPRESSURE: 1876400 -77.5724 -102.245 8.57275 -73.3457 -3.00778 -122.417 -130.353 -128.782 -94.4956 PRESSAVG: 1876400 18.1215 -20.0852 0.929662 -20.0853 26.1231 -43.7054 0.929661 -43.7054 -28.6526 GPRESSAVG: 1876400 18.2686 -20.7588 -0.684139 -21.1828 25.356 -42.5553 -0.11479 -45.1713 -27.9482 TIMING: 1876400 CPU: 5603.6, 0.00305934/step Wall: 5603.6, 0.00305934/step, 2.65449 hours remaining, 206.203125 MB of memory in use. ENERGY: 1876400 752.8111 2066.1940 1961.3019 106.5045 -206374.5908 17674.1073 0.0000 0.0000 34287.2515 -149526.4204 299.4391 -183813.6719 -149430.5848 298.8762 -89.9872 -58.3586 556943.1890 5.1973 5.2254 PRESSURE: 1876600 5.9281 91.428 -18.7939 91.4291 -100.147 -145.709 -18.7931 -145.709 135.129 GPRESSURE: 1876600 42.6348 119.746 -90.5586 92.8015 -78.232 -70.3869 2.8154 -138.343 180.252 PRESSAVG: 1876600 -39.7471 20.0507 -8.23736 20.0508 -13.052 3.63426 -8.23738 3.63432 -26.3594 GPRESSAVG: 1876600 -39.6692 22.6852 -8.22799 17.7227 -13.1333 4.1897 -7.07517 5.74752 -26.0859 TIMING: 1876600 CPU: 5604.2, 0.00301409/step Wall: 5604.2, 0.00301409/step, 2.61506 hours remaining, 206.203125 MB of memory in use. ENERGY: 1876600 732.8174 2099.4298 1937.4237 124.9298 -206685.2552 18007.8648 0.0000 0.0000 34247.9895 -149534.8001 299.0962 -183782.7896 -149441.3858 298.5513 13.6369 48.2183 556940.2579 -26.3861 -26.2961 PRESSURE: 1876800 -90.0363 4.42927 -6.04496 4.42876 12.7921 -98.3255 -6.04479 -98.325 -125.863 GPRESSURE: 1876800 -23.2838 13.8353 -15.7161 -61.1572 17.4649 -23.8298 -5.12248 -91.0478 -99.2507 PRESSAVG: 1876800 -9.93457 -38.0113 12.0952 -38.0113 -57.7031 -13.1326 12.0952 -13.1325 18.6325 GPRESSAVG: 1876800 -9.5579 -42.9654 12.839 -35.083 -57.9234 -11.1873 10.3931 -16.0487 18.4086 TIMING: 1876800 CPU: 5604.8, 0.00299782/step Wall: 5604.8, 0.00299782/step, 2.60077 hours remaining, 206.203125 MB of memory in use. ENERGY: 1876800 751.5194 2124.0096 1943.4271 111.4612 -206394.2041 17857.2810 0.0000 0.0000 34182.9234 -149423.5823 298.5280 -183606.5057 -149333.6681 298.5692 -67.7024 -35.0232 558885.3716 -16.3351 -16.3576 PRESSURE: 1877000 146.472 -77.9792 -10.0328 -77.9781 -5.44667 3.0507 -10.0339 3.0522 24.3152 GPRESSURE: 1877000 181.035 -68.4743 -29.6259 -46.634 46.0148 -28.9584 -63.7369 -88.7368 32.6087 PRESSAVG: 1877000 31.3374 -67.1568 -15.5797 -67.1568 8.94456 10.4443 -15.5798 10.4445 -15.6093 GPRESSAVG: 1877000 31.7443 -64.5899 -17.1684 -68.6808 9.70046 6.26606 -13.7459 12.0508 -16.6904 TIMING: 1877000 CPU: 5605.4, 0.00298474/step Wall: 5605.4, 0.00298474/step, 2.58926 hours remaining, 206.203125 MB of memory in use. ENERGY: 1877000 704.2230 2058.0797 1922.9031 107.7966 -206578.5831 18128.3461 0.0000 0.0000 34229.1528 -149428.0816 298.9317 -183657.2345 -149332.4306 297.8110 55.1134 86.5528 557594.6421 8.2242 8.2514 PRESSURE: 1877200 23.1634 15.0213 67.6776 15.0201 20.9599 -100.931 67.6786 -100.932 -225.136 GPRESSURE: 1877200 34.1588 116.14 155.532 50.31 35.2776 -115.275 26.0641 -129.788 -158.177 PRESSAVG: 1877200 -43.5649 4.76755 16.3625 4.76757 -30.5947 37.868 16.3625 37.8681 83.1641 GPRESSAVG: 1877200 -44.75 4.44255 16.0653 6.92489 -29.5836 39.3167 15.0018 37.534 83.3493 TIMING: 1877200 CPU: 5606, 0.00301345/step Wall: 5606, 0.00301345/step, 2.614 hours remaining, 206.203125 MB of memory in use. ENERGY: 1877200 745.0520 2059.1364 1929.7387 117.4372 -206317.3615 17745.1670 0.0000 0.0000 34123.2290 -149597.6013 298.0066 -183720.8303 -149497.0492 298.4535 -60.3375 -29.5803 556495.4316 3.0015 3.0052 PRESSURE: 1877400 -214.816 -94.5498 76.3215 -94.5507 70.5783 53.722 76.3203 53.7223 -177.266 GPRESSURE: 1877400 -197.189 -27.7097 26.0505 -203.869 48.6913 -42.4637 159.46 79.069 -89.5319 PRESSAVG: 1877400 8.01698 32.5822 38.9029 32.5823 39.6644 -2.43537 38.9029 -2.43531 -76.2026 GPRESSAVG: 1877400 8.68914 34.3551 38.7034 30.4956 38.8556 -3.06766 39.8595 -3.83486 -75.7186 TIMING: 1877400 CPU: 5606.6, 0.00298654/step Wall: 5606.6, 0.00298654/step, 2.59049 hours remaining, 206.203125 MB of memory in use. ENERGY: 1877400 734.1007 2128.2533 1915.3930 131.9808 -206243.5234 17768.2334 0.0000 0.0000 34193.2305 -149372.3317 298.6180 -183565.5622 -149288.6693 298.5830 -107.1679 -79.3432 558425.2858 -9.5071 -9.3913 PRESSURE: 1877600 7.731 20.3768 -11.3824 20.3757 -123.777 -102.254 -11.3839 -102.256 -51.5969 GPRESSURE: 1877600 88.8379 26.4383 -20.643 -61.919 -91.9353 -56.1484 -88.6251 -118.67 -67.8311 PRESSAVG: 1877600 11.4091 -14.6504 66.0955 -14.6504 -63.5928 -19.4148 66.0953 -19.4147 86.2305 GPRESSAVG: 1877600 11.9018 -16.8189 65.9291 -13.1305 -63.0833 -16.4633 65.1469 -19.7664 85.5314 TIMING: 1877600 CPU: 5607.19, 0.00295259/step Wall: 5607.19, 0.00295259/step, 2.56088 hours remaining, 206.203125 MB of memory in use. ENERGY: 1877600 746.7359 2076.9229 1931.6735 128.2053 -206222.2194 17866.8748 0.0000 0.0000 34219.3814 -149252.4257 298.8464 -183471.8071 -149155.5416 299.5173 -55.8810 -23.6428 559385.2890 11.3489 11.4500 PRESSURE: 1877800 -106.925 360.232 0.342889 360.231 -81.2645 150.271 0.341748 150.271 -13.3311 GPRESSURE: 1877800 -83.1914 356.617 27.1938 282.473 -64.6875 135.155 1.14132 126.113 27.686 PRESSAVG: 1877800 -22.9801 28.2778 20.3461 28.2778 -53.6928 -12.8547 20.3462 -12.8549 52.2002 GPRESSAVG: 1877800 -21.9528 27.2418 23.3106 27.9286 -53.8609 -13.4807 19.9069 -11.7729 51.4373 TIMING: 1877800 CPU: 5607.78, 0.00296791/step Wall: 5607.78, 0.00296791/step, 2.574 hours remaining, 206.203125 MB of memory in use. ENERGY: 1877800 678.0199 2093.9675 1950.0464 110.9016 -206322.8047 17763.4816 0.0000 0.0000 34185.9525 -149540.4353 298.5544 -183726.3878 -149438.4966 298.7790 -67.1734 -40.0643 557982.4632 -8.1576 -8.1254 PRESSURE: 1878000 -271.643 -49.2255 57.7042 -49.2244 -2.69495 115.204 57.7044 115.204 -220.727 GPRESSURE: 1878000 -231.25 -64.6492 13.4172 -9.10221 26.6766 76.8063 153.435 54.7971 -186.81 PRESSAVG: 1878000 12.1167 -13.4525 42.2553 -13.4524 -21.7322 40.1272 42.2554 40.1272 28.9757 GPRESSAVG: 1878000 11.4115 -10.2516 38.5882 -13.7528 -21.2421 38.9944 41.0907 39.0254 29.097 TIMING: 1878000 CPU: 5608.38, 0.00299589/step Wall: 5608.38, 0.00299589/step, 2.5981 hours remaining, 206.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1878000 797.3930 2110.5624 1928.7253 108.1966 -206460.3565 17938.7262 0.0000 0.0000 34145.9843 -149430.7685 298.2054 -183576.7529 -149334.0170 298.5023 -165.0217 -130.4611 558956.7205 6.4534 6.4222 PRESSURE: 1878200 135.67 27.1721 9.97744 27.1715 70.5145 79.7205 9.97747 79.7206 14.4204 GPRESSURE: 1878200 167.83 26.7421 169.091 17.4358 131.444 34.6741 -49.3653 77.508 33.492 PRESSAVG: 1878200 -35.2605 -3.09416 -20.7647 -3.09417 2.06319 16.9276 -20.7646 16.9276 24.8263 GPRESSAVG: 1878200 -34.8736 -3.9078 -19.3449 -2.64591 0.78511 15.6045 -21.9033 19.4849 26.2637 TIMING: 1878200 CPU: 5608.97, 0.00297479/step Wall: 5608.97, 0.00297479/step, 2.57964 hours remaining, 206.203125 MB of memory in use. ENERGY: 1878200 747.1987 2184.1425 1939.3874 110.8194 -206836.5264 18222.7601 0.0000 0.0000 34131.1262 -149501.0922 298.0756 -183632.2184 -149410.1901 298.5493 73.5349 110.9221 558014.5693 -2.7903 -2.6083 PRESSURE: 1878400 -216.288 102.903 -35.177 102.903 172.08 -30.7388 -35.176 -30.7377 -106.971 GPRESSURE: 1878400 -171.129 65.5325 -70.1752 120.916 194.743 22.7813 8.06322 22.3284 -82.8502 PRESSAVG: 1878400 11.6797 73.7067 -94.2736 73.7068 -4.11952 29.9705 -94.2735 29.9704 -27.9564 GPRESSAVG: 1878400 11.1695 73.3009 -94.4367 73.5322 -4.12324 30.77 -91.6628 29.6854 -26.7628 TIMING: 1878400 CPU: 5609.56, 0.00294266/step Wall: 5609.56, 0.00294266/step, 2.55162 hours remaining, 206.203125 MB of memory in use. ENERGY: 1878400 731.4185 2075.0533 1952.5739 127.4267 -206213.5141 17787.0903 0.0000 0.0000 34026.4060 -149513.5454 297.1611 -183539.9514 -149412.7346 298.0703 -50.3930 -19.7455 558711.3272 -6.7988 -6.5722 PRESSURE: 1878600 -0.225831 -133.426 67.7114 -133.428 35.5057 -21.4101 67.7111 -21.4116 165.056 GPRESSURE: 1878600 48.8391 -93.9513 -22.7621 -167.071 83.1766 -88.7209 136.419 57.0506 154.534 PRESSAVG: 1878600 -35.3989 51.0763 -7.39701 51.0764 61.08 23.0315 -7.39699 23.0316 -10.8338 GPRESSAVG: 1878600 -35.7293 48.6671 -7.9996 52.1613 62.4484 23.288 -7.61926 24.5076 -12.1276 TIMING: 1878600 CPU: 5610.15, 0.00295173/step Wall: 5610.15, 0.00295173/step, 2.55932 hours remaining, 206.203125 MB of memory in use. ENERGY: 1878600 727.4268 2114.3087 1941.5390 118.2317 -206637.7856 17957.9302 0.0000 0.0000 34308.0473 -149470.3020 299.6207 -183778.3493 -149370.5592 298.5414 66.7787 95.5168 559018.4343 4.9491 4.8639 PRESSURE: 1878800 -254.192 -36.1214 -27.1799 -36.1217 41.1575 70.3157 -27.1786 70.3143 -225.448 GPRESSURE: 1878800 -202.621 -42.7488 -90.5632 -14.5393 100.013 24.939 -25.7908 8.47861 -222.431 PRESSAVG: 1878800 59.9298 -75.7789 23.8356 -75.7789 -21.556 52.8531 23.8356 52.853 1.97508 GPRESSAVG: 1878800 61.4418 -74.2243 22.6253 -77.333 -22.8243 53.7273 25.7773 48.9467 1.96358 TIMING: 1878800 CPU: 5610.74, 0.00294068/step Wall: 5610.74, 0.00294068/step, 2.54957 hours remaining, 206.203125 MB of memory in use. ENERGY: 1878800 743.6922 2144.2622 1925.6854 107.9192 -206087.1717 17688.6432 0.0000 0.0000 34179.4267 -149297.5427 298.4974 -183476.9695 -149202.4631 298.6391 -146.1609 -108.3463 558283.3082 13.4496 13.5270 PRESSURE: 1879000 12.7709 161.328 -30.8961 161.327 3.30859 13.6829 -30.8962 13.682 68.4024 GPRESSURE: 1879000 11.5251 132.58 -99.6155 100.966 54.2209 3.44514 19.7823 3.29831 119.36 PRESSAVG: 1879000 -4.80312 -52.8822 73.4191 -52.8822 11.5514 7.31178 73.419 7.31175 -6.52455 GPRESSAVG: 1879000 -6.09681 -53.8624 76.9159 -52.6913 12.694 6.42082 71.3242 9.35473 -5.91758 TIMING: 1879000 CPU: 5611.33, 0.00293945/step Wall: 5611.33, 0.00293945/step, 2.54834 hours remaining, 206.203125 MB of memory in use. ENERGY: 1879000 735.4408 2055.7356 1943.6600 112.6802 -206409.2732 17959.7804 0.0000 0.0000 34140.2362 -149461.7400 298.1552 -183601.9763 -149372.3840 298.7320 28.1606 61.7020 557570.2713 0.0746 0.2265 PRESSURE: 1879200 -390.987 -244.752 186.624 -244.752 -188.034 94.0056 186.625 94.0047 -50.174 GPRESSURE: 1879200 -320.994 -161.295 219.549 -290.815 -213.399 57.4562 221.324 201.752 -3.25313 PRESSAVG: 1879200 -30.3026 -5.7484 -18.6734 -5.74831 -20.6692 -43.99 -18.6734 -43.99 51.0502 GPRESSAVG: 1879200 -29.1673 -5.56589 -18.7949 -4.76108 -21.2389 -44.0022 -20.0752 -43.4304 50.2645 TIMING: 1879200 CPU: 5611.92, 0.00297127/step Wall: 5611.92, 0.00297127/step, 2.57576 hours remaining, 206.203125 MB of memory in use. ENERGY: 1879200 750.3477 2087.3884 1933.5050 123.5286 -205869.7608 17490.6383 0.0000 0.0000 33992.7515 -149491.6014 296.8672 -183484.3529 -149396.4337 298.1042 -209.7316 -179.2154 558964.9358 0.0261 -0.0472 PRESSURE: 1879400 391.897 -18.4385 -112.493 -18.4381 -49.376 52.2825 -112.494 52.2822 79.1584 GPRESSURE: 1879400 446.859 -13.8992 -136.415 -18.141 -3.05997 34.2099 -82.6365 95.6174 60.914 PRESSAVG: 1879400 25.6355 -27.3208 28.565 -27.3207 -21.3829 -9.49799 28.565 -9.49799 63.9966 GPRESSAVG: 1879400 24.6892 -27.7246 27.6781 -26.6315 -21.9986 -9.2921 29.3652 -11.318 65.127 TIMING: 1879400 CPU: 5612.52, 0.00299362/step Wall: 5612.52, 0.00299362/step, 2.59497 hours remaining, 206.203125 MB of memory in use. ENERGY: 1879400 720.6036 2123.8715 1943.4116 129.1013 -206609.8346 18044.5039 0.0000 0.0000 34270.6185 -149377.7242 299.2938 -183648.3427 -149281.7831 298.3703 140.5598 168.2376 556594.4625 22.7497 22.6058 PRESSURE: 1879600 17.8517 -50.8187 -17.4244 -50.8202 -5.71215 37.3419 -17.4253 37.3404 119.342 GPRESSURE: 1879600 29.2241 3.20032 -29.4988 -81.136 32.9586 -42.0407 -123.008 52.325 166.408 PRESSAVG: 1879600 -14.0609 23.495 80.8283 23.4951 -3.83762 33.69 80.8284 33.69 50.5602 GPRESSAVG: 1879600 -13.6438 23.7344 78.9836 22.9877 -3.14454 32.9757 82.0213 36.1186 49.4257 TIMING: 1879600 CPU: 5613.12, 0.00298401/step Wall: 5613.12, 0.00298401/step, 2.58647 hours remaining, 206.203125 MB of memory in use. ENERGY: 1879600 747.8225 2093.1748 1919.1290 107.0281 -206258.0915 17907.0032 0.0000 0.0000 34041.8333 -149442.1006 297.2958 -183483.9339 -149348.8413 298.4816 43.8272 76.1968 557377.6280 10.8872 10.8791 PRESSURE: 1879800 -190.179 -114.44 7.86105 -114.44 117.454 89.3643 7.86117 89.3643 309.137 GPRESSURE: 1879800 -137.177 -69.1803 -2.99822 -86.0857 143.176 83.2367 1.97331 107.419 330.593 PRESSAVG: 1879800 -16.2218 -5.05715 -40.0067 -5.05709 32.6899 -23.2538 -40.0067 -23.2538 -21.3275 GPRESSAVG: 1879800 -16.9658 -5.79465 -39.915 -3.48763 32.6258 -19.2546 -38.7846 -26.0498 -20.4139 TIMING: 1879800 CPU: 5613.71, 0.0029765/step Wall: 5613.71, 0.0029765/step, 2.5798 hours remaining, 206.203125 MB of memory in use. ENERGY: 1879800 732.1330 2053.5193 1918.4729 104.1185 -206275.3546 17915.1599 0.0000 0.0000 34211.3675 -149340.5836 298.7764 -183551.9511 -149241.9672 298.6645 78.8039 112.1974 557608.4374 -1.6198 -1.5846 PRESSURE: 1880000 373.438 86.5046 -96.3457 86.5053 174.016 -16.761 -96.3452 -16.7615 -1.91041 GPRESSURE: 1880000 418.283 121.615 -0.409756 -2.54266 206.017 15.9308 -70.665 -23.8904 8.8941 PRESSAVG: 1880000 53.9333 20.7754 -4.44834 20.7754 -24.3348 -41.1325 -4.44841 -41.1325 2.63027 GPRESSAVG: 1880000 54.5637 22.0078 -0.511656 16.826 -25.4045 -44.735 -5.2778 -40.1628 2.57107 TIMING: 1880000 CPU: 5614.31, 0.00299175/step Wall: 5614.31, 0.00299175/step, 2.59285 hours remaining, 206.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1880000 692.5275 2069.9698 1909.2774 116.4261 -206252.7416 17941.3540 0.0000 0.0000 34210.4786 -149312.7081 298.7686 -183523.1867 -149217.0734 298.7793 181.8478 211.0647 556228.6408 10.7429 10.5768 PRESSURE: 1880200 56.3406 -40.4978 94.0359 -40.4958 -93.2419 65.8137 94.0373 65.8142 -191.429 GPRESSURE: 1880200 57.2159 -125.579 127.774 -4.97226 -74.4578 70.089 91.3356 68.8261 -122.511 PRESSAVG: 1880200 17.1888 -44.7654 37.2143 -44.7653 -38.5628 34.1914 37.2143 34.1913 -14.7566 GPRESSAVG: 1880200 16.118 -44.9098 34.8577 -43.4349 -37.8925 36.9113 37.0983 32.819 -14.307 TIMING: 1880200 CPU: 5614.91, 0.00299519/step Wall: 5614.91, 0.00299519/step, 2.59566 hours remaining, 206.203125 MB of memory in use. ENERGY: 1880200 713.3819 2150.0496 1907.0130 97.2682 -206204.3445 17733.8619 0.0000 0.0000 34347.6177 -149255.1522 299.9663 -183602.7700 -149155.0839 298.7509 -76.1100 -46.5843 557114.4230 -12.0435 -12.0272 LDB: ============= START OF LOAD BALANCING ============== 5618.46 LDB: ============== END OF LOAD BALANCING =============== 5618.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5618.47 LDB: ============= START OF LOAD BALANCING ============== 5618.76 LDB: Largest compute 4796 load 0.026664 is 22.6% of average load 0.118145 LDB: Average compute 0.001728 is 1.5% of average load 0.118145 LDB: TIME 5618.77 LOAD: AVG 0.118145 MAX 0.205976 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 5618.77 LOAD: AVG 0.118145 MAX 0.205976 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.469 MB LDB: TIME 5618.77 LOAD: AVG 0.118145 MAX 0.205976 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.469 MB LDB: ============== END OF LOAD BALANCING =============== 5618.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5618.77 PRESSURE: 1880400 -74.5184 47.6835 -117.283 47.6835 -105.028 -40.8533 -117.285 -40.8538 20.0899 GPRESSURE: 1880400 -86.9543 111.678 -72.2369 -44.4614 -21.9735 -116.944 -89.551 -14.089 50.9236 PRESSAVG: 1880400 23.3781 -1.53127 -27.834 -1.53125 -25.6901 -22.5668 -27.8341 -22.5668 14.9738 GPRESSAVG: 1880400 23.6261 -0.318122 -27.1884 -0.735442 -26.181 -24.0038 -29.6566 -20.4013 14.9694 TIMING: 1880400 CPU: 5615.52, 0.00305705/step Wall: 5615.52, 0.00305705/step, 2.6491 hours remaining, 207.417969 MB of memory in use. ENERGY: 1880400 715.5125 2073.6015 1921.8345 108.0668 -206464.2155 17842.4715 0.0000 0.0000 34111.9442 -149690.7844 297.9081 -183802.7286 -149585.9257 298.8686 -53.1523 -19.3348 558224.4095 4.2206 4.1382 PRESSURE: 1880600 349.086 -13.2796 -2.27722 -13.2796 29.0879 8.63888 -2.27859 8.63891 -41.462 GPRESSURE: 1880600 329.564 3.62428 -28.4715 -14.7715 35.7116 -108.309 36.5631 -23.9334 61.1383 PRESSAVG: 1880600 11.2559 -0.284763 -22.7159 -0.284774 -26.0651 -24.7818 -22.7159 -24.7819 33.6396 GPRESSAVG: 1880600 11.1973 -1.29346 -23.1314 -0.0169781 -25.9384 -26.6418 -21.3379 -25.6912 33.2644 TIMING: 1880600 CPU: 5616.12, 0.00297191/step Wall: 5616.12, 0.00297191/step, 2.57516 hours remaining, 207.417969 MB of memory in use. ENERGY: 1880600 721.8544 2102.0908 1896.9327 107.3172 -206892.9556 18108.8167 0.0000 0.0000 34398.4693 -149557.4744 300.4104 -183955.9437 -149462.2917 298.4484 112.2372 142.1379 555791.0029 6.2768 6.1744 PRESSURE: 1880800 -17.002 23.8166 69.5826 23.8168 74.0382 -192.271 69.5818 -192.27 -61.9816 GPRESSURE: 1880800 -10.777 57.1705 -90.4257 33.9187 144.234 -104.902 142.93 -201.73 -48.1368 PRESSAVG: 1880800 35.5093 -24.3148 20.0052 -24.3148 -9.93409 5.63899 20.0053 5.63901 -3.66699 GPRESSAVG: 1880800 35.8071 -25.2569 18.2509 -24.077 -10.335 7.69341 18.981 4.82451 -3.27254 TIMING: 1880800 CPU: 5616.71, 0.00298049/step Wall: 5616.71, 0.00298049/step, 2.58242 hours remaining, 207.417969 MB of memory in use. ENERGY: 1880800 698.8882 2082.4712 1895.5653 110.9923 -206529.7106 17807.8210 0.0000 0.0000 34358.7464 -149575.2263 300.0635 -183933.9728 -149482.5203 298.8278 -1.6485 28.4400 557313.1932 7.3028 7.3998 PRESSURE: 1881000 242.814 -101.34 -57.3843 -101.341 -26.022 54.7728 -57.3842 54.7725 -38.4957 GPRESSURE: 1881000 259.362 -139.522 -63.9562 -111.281 3.10161 94.6935 -31.0159 82.6204 10.9935 PRESSAVG: 1881000 -3.19785 -15.3031 -22.2692 -15.3032 44.9129 6.83291 -22.2693 6.83287 -0.447421 GPRESSAVG: 1881000 -4.29459 -13.9277 -22.0504 -13.4972 46.5851 7.91116 -21.5042 6.8845 -1.42167 TIMING: 1881000 CPU: 5617.3, 0.00295954/step Wall: 5617.3, 0.00295954/step, 2.56411 hours remaining, 207.417969 MB of memory in use. ENERGY: 1881000 733.1791 2074.4835 1938.0836 106.5255 -206367.8785 17949.3063 0.0000 0.0000 34009.1166 -149557.1839 297.0101 -183566.3005 -149468.6692 298.2424 59.4321 91.1522 558718.0325 13.7559 13.6229 PRESSURE: 1881200 -58.0598 -111.468 105.702 -111.467 3.65767 -156.031 105.701 -156.033 -65.329 GPRESSURE: 1881200 -48.1488 -149.349 26.291 -98.0024 19.1407 -67.7924 175.727 -224.559 -10.4433 PRESSAVG: 1881200 38.7341 -64.5477 4.34352 -64.5477 -13.9815 -36.6913 4.34354 -36.6915 -37.4148 GPRESSAVG: 1881200 39.2928 -65.7215 6.71974 -67.1624 -16.3366 -38.3453 3.47884 -35.7044 -36.3808 TIMING: 1881200 CPU: 5617.9, 0.00295501/step Wall: 5617.9, 0.00295501/step, 2.56003 hours remaining, 207.417969 MB of memory in use. ENERGY: 1881200 716.8328 2060.5026 1919.4102 94.2459 -206236.4219 17793.2579 0.0000 0.0000 34132.9804 -149519.1922 298.0918 -183652.1726 -149423.2358 298.2264 -39.9104 -13.1505 556910.2182 -4.2207 -4.4749 PRESSURE: 1881400 10.9222 -202.945 70.1636 -202.944 -53.5443 -12.8077 70.1635 -12.8082 -208.137 GPRESSURE: 1881400 18.2292 -271.851 78.8299 -92.0219 15.0718 41.7084 69.7003 -41.191 -197.133 PRESSAVG: 1881400 81.5036 -36.1657 50.1658 -36.1657 -15.1262 -22.8214 50.1656 -22.8214 -77.8613 GPRESSAVG: 1881400 79.4473 -34.9575 49.6783 -36.2034 -13.4231 -23.9246 49.8564 -22.4551 -78.0571 TIMING: 1881400 CPU: 5618.48, 0.00293896/step Wall: 5618.48, 0.00293896/step, 2.54595 hours remaining, 207.417969 MB of memory in use. ENERGY: 1881400 753.8299 2060.8121 1941.8193 120.1376 -206434.2882 17725.4753 0.0000 0.0000 34296.1283 -149536.0857 299.5166 -183832.2141 -149437.7035 298.2856 -83.5864 -54.6108 556727.5165 -3.8279 -4.0110 PRESSURE: 1881600 213.459 94.1745 91.3543 94.1741 -58.519 8.97057 91.3554 8.96995 5.58614 GPRESSURE: 1881600 166.922 25.6364 11.5206 124.523 24.3811 -24.4527 123.268 91.3299 65.3832 PRESSAVG: 1881600 7.89286 26.995 60.0445 26.9949 102.719 19.2746 60.0446 19.2746 -111.488 GPRESSAVG: 1881600 8.89017 26.3647 58.3522 29.0244 103.13 21.156 62.6838 19.7256 -112.498 TIMING: 1881600 CPU: 5619.08, 0.00296516/step Wall: 5619.08, 0.00296516/step, 2.56849 hours remaining, 207.417969 MB of memory in use. ENERGY: 1881600 734.1818 2099.7249 1921.9189 106.6893 -206546.7294 17882.6326 0.0000 0.0000 34342.9279 -149458.6540 299.9253 -183801.5819 -149358.6781 298.9983 53.5089 85.5620 556047.6911 -0.2918 -0.1593 PRESSURE: 1881800 -156.542 104.878 -47.2299 104.879 -10.8322 -31.4285 -47.2311 -31.4286 -361.893 GPRESSURE: 1881800 -105.952 155.091 -41.5481 96.1132 -2.66782 -19.852 -96.8282 -108.137 -335.184 PRESSAVG: 1881800 2.6376 49.1375 24.7236 49.1375 24.0897 -11.335 24.7235 -11.335 -37.0903 GPRESSAVG: 1881800 3.48548 49.1602 25.3938 49.5498 23.0156 -11.2945 24.0284 -12.6333 -37.1071 TIMING: 1881800 CPU: 5619.67, 0.00297384/step Wall: 5619.67, 0.00297384/step, 2.57585 hours remaining, 207.417969 MB of memory in use. ENERGY: 1881800 765.5887 2074.6537 1932.7695 118.0359 -205876.5108 17544.9593 0.0000 0.0000 34073.5459 -149366.9577 297.5728 -183440.5036 -149265.5585 298.6471 -176.4223 -147.9346 557508.7759 -3.4544 -3.5353 PRESSURE: 1882000 47.5053 -38.6583 125.974 -38.6587 87.5522 -20.9612 125.974 -20.9628 -117.704 GPRESSURE: 1882000 44.3399 -94.9204 65.1919 -11.2673 164.441 -39.5761 165.7 -24.4022 -91.0293 PRESSAVG: 1882000 -25.7367 -27.7721 24.8736 -27.7721 19.9701 18.061 24.8736 18.061 31.045 GPRESSAVG: 1882000 -26.0621 -27.7577 23.696 -30.0158 19.7907 17.159 25.0188 17.811 31.3641 TIMING: 1882000 CPU: 5620.27, 0.00297287/step Wall: 5620.27, 0.00297287/step, 2.57483 hours remaining, 207.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1882000 784.5786 2062.1676 1934.3877 113.2355 -206432.5589 17959.9296 0.0000 0.0000 34239.2116 -149339.0484 299.0196 -183578.2600 -149241.7439 298.9011 5.7846 39.2506 556900.5566 8.4261 8.3643 PRESSURE: 1882200 -139.22 -65.8381 17.4004 -65.8379 -138.959 6.96834 17.4003 6.96724 217.524 GPRESSURE: 1882200 -108.736 -70.7518 30.9532 -144.725 -145.63 61.6998 70.322 -65.4495 285.194 PRESSAVG: 1882200 25.0754 -37.6237 26.5027 -37.6237 6.10607 30.6129 26.5027 30.6128 -8.59399 GPRESSAVG: 1882200 24.5497 -39.2409 28.6193 -37.146 6.67398 31.9987 25.932 31.5838 -8.92495 TIMING: 1882200 CPU: 5620.86, 0.0029669/step Wall: 5620.86, 0.0029669/step, 2.5695 hours remaining, 207.417969 MB of memory in use. ENERGY: 1882200 721.5977 2111.1819 1913.0926 106.2785 -206302.4998 17747.7058 0.0000 0.0000 34523.6463 -149178.9970 301.5036 -183702.6433 -149090.3279 299.4051 -20.2185 10.2757 557458.4445 7.5292 7.4329 PRESSURE: 1882400 -111.291 167.99 -110.047 167.99 70.4657 34.8763 -110.048 34.8783 -40.0044 GPRESSURE: 1882400 -97.9094 136.523 -88.8952 207.283 76.9441 132.166 -182.92 -19.9858 38.4257 PRESSAVG: 1882400 23.0543 15.126 -22.8782 15.126 -16.4346 19.8403 -22.8782 19.8404 -31.001 GPRESSAVG: 1882400 22.5324 16.8475 -23.1266 15.3496 -17.4654 17.7821 -22.6221 21.8161 -29.084 TIMING: 1882400 CPU: 5621.45, 0.00297606/step Wall: 5621.45, 0.00297606/step, 2.57727 hours remaining, 207.417969 MB of memory in use. ENERGY: 1882400 741.5541 2089.6026 1926.8014 105.9090 -205903.2781 17616.4267 0.0000 0.0000 34243.9303 -149179.0541 299.0608 -183422.9844 -149083.7331 299.5350 -26.9431 5.8201 556850.1288 -8.1271 -8.0057 PRESSURE: 1882600 24.7812 86.4276 40.2622 86.4269 -321.827 5.26975 40.2618 5.26785 -81.5415 GPRESSURE: 1882600 72.335 115.95 -15.7944 127.182 -261.976 1.90768 84.3138 70.4541 -83.084 PRESSAVG: 1882600 -14.874 37.8571 5.21818 37.8571 25.8665 -44.8734 5.21819 -44.8735 7.89091 GPRESSAVG: 1882600 -13.602 35.767 5.65005 38.3247 26.539 -43.7672 3.91343 -46.083 6.56529 TIMING: 1882600 CPU: 5622.04, 0.0029441/step Wall: 5622.04, 0.0029441/step, 2.54943 hours remaining, 207.417969 MB of memory in use. ENERGY: 1882600 729.3246 2020.9412 1927.3041 118.5020 -206224.8124 17724.5667 0.0000 0.0000 34346.4891 -149357.6846 299.9564 -183704.1737 -149252.8325 299.2759 -126.1959 -90.9082 557637.2655 6.2945 6.5008 PRESSURE: 1882800 42.2069 39.6326 -30.5419 39.632 -269.891 -2.6641 -30.5423 -2.66178 -52.089 GPRESSURE: 1882800 115.481 0.885503 -36.9544 -5.61484 -295.36 78.1565 81.82 -43.6923 -6.10446 PRESSAVG: 1882800 14.1606 -5.11043 -18.8892 -5.11051 -7.4617 -14.9489 -18.8892 -14.9489 15.6257 GPRESSAVG: 1882800 14.2705 -3.33252 -20.5473 -6.0275 -7.51482 -14.507 -17.7237 -15.7544 15.4262 TIMING: 1882800 CPU: 5622.64, 0.00297881/step Wall: 5622.64, 0.00297881/step, 2.57932 hours remaining, 207.417969 MB of memory in use. ENERGY: 1882800 753.7646 2103.8057 1944.2605 117.5626 -206044.8739 17647.9303 0.0000 0.0000 34140.4787 -149337.0715 298.1573 -183477.5502 -149237.7632 299.2134 -93.2577 -61.9944 558169.7660 7.4415 7.3939 PRESSURE: 1883000 8.77555 -179.287 -6.72886 -179.286 -56.6889 -83.9307 -6.72977 -83.9297 55.8925 GPRESSURE: 1883000 25.0825 -188.494 -99.8005 -185.288 -39.6325 5.10983 44.0127 -147.115 120.683 PRESSAVG: 1883000 -39.149 -4.58575 -8.20901 -4.58575 -5.60444 -26.7438 -8.20901 -26.7437 -34.8153 GPRESSAVG: 1883000 -38.7894 -3.25983 -7.37228 -5.38951 -6.22057 -26.2629 -7.64707 -28.3236 -33.3981 TIMING: 1883000 CPU: 5623.23, 0.0029653/step Wall: 5623.23, 0.0029653/step, 2.56746 hours remaining, 207.417969 MB of memory in use. ENERGY: 1883000 745.0323 2045.7153 1945.0075 115.5595 -206447.5276 17842.4968 0.0000 0.0000 34304.9282 -149448.7880 299.5935 -183753.7162 -149349.3319 298.8489 2.6597 35.3775 557205.4106 -26.5229 -26.1360 PRESSURE: 1883200 47.1812 -58.2131 -174.67 -58.2129 -102.092 61.3952 -174.669 61.3937 -100.186 GPRESSURE: 1883200 76.4464 -170.648 -133.541 20.0616 -92.7001 32.1978 -169.828 93.3394 -46.2828 PRESSAVG: 1883200 -15.4747 11.2532 29.5035 11.2533 2.56423 -11.0574 29.5035 -11.0574 49.3182 GPRESSAVG: 1883200 -17.8469 6.42434 30.2252 13.2287 4.57689 -11.564 27.9141 -9.13529 49.555 TIMING: 1883200 CPU: 5623.82, 0.00295888/step Wall: 5623.82, 0.00295888/step, 2.56173 hours remaining, 207.417969 MB of memory in use. ENERGY: 1883200 752.2634 2170.1330 1916.4395 84.5953 -206383.5232 17800.4231 0.0000 0.0000 34275.0092 -149384.6597 299.3322 -183659.6689 -149288.9328 298.4047 -51.6990 -20.8455 557690.1230 12.1359 12.0950 PRESSURE: 1883400 91.3565 206.853 254.099 206.853 -9.56608 40.1959 254.097 40.1968 150.457 GPRESSURE: 1883400 113.382 217.029 230.394 241.031 3.60625 163.695 226.795 -29.261 211.867 PRESSAVG: 1883400 11.8003 -10.0005 -10.4879 -10.0007 -5.62715 -38.1131 -10.4878 -38.113 30.2945 GPRESSAVG: 1883400 12.6793 -6.87685 -10.957 -9.74228 -5.85827 -38.0503 -10.2611 -38.7169 29.6046 TIMING: 1883400 CPU: 5624.42, 0.00298353/step Wall: 5624.42, 0.00298353/step, 2.5829 hours remaining, 207.417969 MB of memory in use. ENERGY: 1883400 764.6833 2139.8183 1919.0656 100.8543 -206485.2695 18181.4638 0.0000 0.0000 33924.9497 -149454.4344 296.2750 -183379.3841 -149363.1962 298.2158 77.4159 109.6183 558362.6081 12.1559 12.1419 PRESSURE: 1883600 -6.02454 112.758 -67.5223 112.756 -235.656 21.5468 -67.5224 21.5468 68.3715 GPRESSURE: 1883600 53.9763 91.2178 4.83951 103.764 -255.418 141.493 -17.9196 -15.5293 116.231 PRESSAVG: 1883600 -9.21301 7.72885 5.31997 7.72884 -59.6896 -39.8778 5.31996 -39.8778 17.9588 GPRESSAVG: 1883600 -7.54174 7.70866 3.89566 7.05841 -60.6552 -40.3992 5.62638 -41.2744 17.1046 TIMING: 1883600 CPU: 5625.02, 0.00297456/step Wall: 5625.02, 0.00297456/step, 2.57498 hours remaining, 207.417969 MB of memory in use. ENERGY: 1883600 793.9999 2168.4003 1963.4267 112.8668 -206303.0059 17641.7814 0.0000 0.0000 34225.5027 -149397.0281 298.8998 -183622.5308 -149297.0412 298.2130 -57.7698 -28.4036 556427.0946 -16.9813 -17.0308 PRESSURE: 1883800 103.351 -59.4731 -110.127 -59.4726 90.1572 -102.843 -110.128 -102.844 -30.2362 GPRESSURE: 1883800 144.632 -82.6239 -113.545 -147.502 115.074 -49.4345 -57.2739 -24.2372 -7.04434 PRESSAVG: 1883800 28.7269 -15.7265 -36.1139 -15.7265 -4.98995 -61.6527 -36.1139 -61.6528 -9.43452 GPRESSAVG: 1883800 26.4983 -16.1104 -36.4932 -16.0955 -3.67636 -62.5228 -33.4775 -58.8556 -8.11174 TIMING: 1883800 CPU: 5625.61, 0.00295192/step Wall: 5625.61, 0.00295192/step, 2.55521 hours remaining, 207.417969 MB of memory in use. ENERGY: 1883800 719.6021 2155.2047 1927.3013 111.4783 -206404.7718 18035.1742 0.0000 0.0000 34112.3309 -149343.6803 297.9115 -183456.0112 -149242.2330 298.9847 54.4240 84.2205 557114.2353 4.7675 4.9034 PRESSURE: 1884000 -0.0960656 157.449 153.776 157.449 -20.688 -47.1654 153.775 -47.165 182.692 GPRESSURE: 1884000 92.5662 216.31 142.387 132.771 -94.5913 -16.51 207.121 -59.9313 261.757 PRESSAVG: 1884000 -66.5758 11.0013 18.5448 11.0014 -18.6774 15.4001 18.5448 15.4001 40.8723 GPRESSAVG: 1884000 -64.1008 12.0117 19.3112 10.8516 -19.5732 16.5828 17.3899 13.6335 39.3333 TIMING: 1884000 CPU: 5626.2, 0.00296035/step Wall: 5626.2, 0.00296035/step, 2.56235 hours remaining, 207.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1884000 742.1008 2108.7391 1931.2370 110.0964 -206288.0429 17713.5155 0.0000 0.0000 34403.3644 -149278.9897 300.4531 -183682.3541 -149193.0615 298.8985 53.9695 86.5773 556651.8272 -14.7936 -14.7803 PRESSURE: 1884200 216.096 -213.738 62.8679 -213.738 57.0158 -81.5706 62.868 -81.5696 59.8384 GPRESSURE: 1884200 243.29 -305.832 32.3193 -114.707 90.4941 -82.8403 47.8833 -55.3243 112.299 PRESSAVG: 1884200 -21.4379 -25.821 10.8196 -25.821 2.85788 -40.129 10.8197 -40.129 19.6145 GPRESSAVG: 1884200 -22.5795 -27.9553 9.83621 -22.9394 3.55298 -39.1598 9.31918 -41.9898 20.5676 TIMING: 1884200 CPU: 5626.79, 0.00295765/step Wall: 5626.79, 0.00295765/step, 2.55985 hours remaining, 207.417969 MB of memory in use. ENERGY: 1884200 730.8358 2140.7428 1951.0451 113.0892 -206417.5071 18000.7014 0.0000 0.0000 34293.0247 -149188.0682 299.4895 -183481.0929 -149082.3331 299.1887 110.9834 148.6946 557367.5270 0.3448 0.5137 LDB: ============= START OF LOAD BALANCING ============== 5630.34 LDB: ============== END OF LOAD BALANCING =============== 5630.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5630.34 LDB: ============= START OF LOAD BALANCING ============== 5630.64 LDB: Largest compute 4796 load 0.026685 is 22.6% of average load 0.118161 LDB: Average compute 0.001729 is 1.5% of average load 0.118161 LDB: TIME 5630.64 LOAD: AVG 0.118161 MAX 0.205961 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.797 MB LDB: TIME 5630.64 LOAD: AVG 0.118161 MAX 0.205961 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.797 MB LDB: TIME 5630.64 LOAD: AVG 0.118161 MAX 0.205961 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.797 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5630.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5630.64 PRESSURE: 1884400 -303.483 -222.808 -29.1642 -222.808 176.295 -48.4931 -29.1641 -48.493 -24.3765 GPRESSURE: 1884400 -251.948 -150.554 26.2623 -161.957 219.297 -25.9944 -5.93764 -71.6863 -21.6695 PRESSAVG: 1884400 -118.295 -21.5569 -15.9995 -21.557 101.43 -34.8732 -15.9994 -34.8732 28.7457 GPRESSAVG: 1884400 -118.537 -19.2969 -14.998 -23.6938 100.649 -36.8206 -14.0937 -32.7506 29.2426 TIMING: 1884400 CPU: 5627.39, 0.00302414/step Wall: 5627.39, 0.00302414/step, 2.61723 hours remaining, 207.863281 MB of memory in use. ENERGY: 1884400 770.6157 2124.3585 1945.5863 113.8541 -206419.9792 17904.1720 0.0000 0.0000 34357.8986 -149203.4940 300.0561 -183561.3926 -149104.5060 298.9185 -50.5214 -18.1066 558532.5868 3.9600 3.7850 PRESSURE: 1884600 -340.623 -114.981 71.1594 -114.981 -123.173 145.07 71.1605 145.07 -13.807 GPRESSURE: 1884600 -224.31 -26.7306 47.6831 -129.661 -103.64 122.591 24.0815 156.284 -40.433 PRESSAVG: 1884600 -39.0314 42.6858 25.9168 42.6858 0.802063 19.47 25.9169 19.47 6.06263 GPRESSAVG: 1884600 -39.3856 41.8901 25.5506 43.7078 1.34355 19.4066 25.5013 17.6352 5.8961 TIMING: 1884600 CPU: 5627.99, 0.00297433/step Wall: 5627.99, 0.00297433/step, 2.57395 hours remaining, 208.066406 MB of memory in use. ENERGY: 1884600 784.5535 2062.4623 1919.0685 100.7614 -205907.0703 17599.7779 0.0000 0.0000 34285.8579 -149154.5888 299.4269 -183440.4467 -149057.5630 299.5255 -159.2011 -122.7945 558416.9743 -10.7222 -10.7153 PRESSURE: 1884800 -243.23 -170.975 105.422 -170.976 -165.491 137.04 105.421 137.039 -163.249 GPRESSURE: 1884800 -281.412 -146.354 140.318 -139.16 -101.843 150.852 77.5352 51.2527 -81.1097 PRESSAVG: 1884800 -50.3466 -21.9725 36.812 -21.9726 -1.96366 12.777 36.8118 12.777 66.2192 GPRESSAVG: 1884800 -50.1364 -22.5733 36.0896 -22.2979 -1.74727 14.9576 36.1219 14.7198 65.8713 TIMING: 1884800 CPU: 5628.59, 0.0029835/step Wall: 5628.59, 0.0029835/step, 2.58172 hours remaining, 208.066406 MB of memory in use. ENERGY: 1884800 743.4809 2047.7915 1943.1094 103.1263 -205643.5466 17532.0495 0.0000 0.0000 34074.4091 -149199.5800 297.5803 -183273.9892 -149101.0837 299.6360 -190.6566 -154.7882 557861.8977 4.6363 4.6625 PRESSURE: 1885000 128.912 -75.335 -126.152 -75.3369 19.7522 68.6123 -126.151 68.6128 -88.0774 GPRESSURE: 1885000 218.632 -49.937 -195.031 -30.4727 -9.41549 50.7377 -160.839 -1.39128 -60.0964 PRESSAVG: 1885000 -24.5063 -5.39424 14.7071 -5.39423 0.178733 34.1565 14.7071 34.1564 24.3268 GPRESSAVG: 1885000 -23.5996 -4.80494 16.7341 -5.2805 -0.947597 31.5613 13.7367 33.4916 24.7415 TIMING: 1885000 CPU: 5629.18, 0.00297003/step Wall: 5629.18, 0.00297003/step, 2.5699 hours remaining, 208.066406 MB of memory in use. ENERGY: 1885000 745.4937 2104.8686 1930.9296 114.2216 -206144.6336 17909.2272 0.0000 0.0000 34049.0252 -149290.8677 297.3586 -183339.8929 -149197.8096 298.8650 20.1956 49.7067 557701.8398 -0.0003 0.0648 PRESSURE: 1885200 53.7496 2.32098 64.2929 2.3202 -86.956 96.6622 64.2937 96.6627 -106.624 GPRESSURE: 1885200 98.8131 -38.8458 -28.7851 -89.2532 -74.0296 3.21809 -52.0881 151.725 -70.7835 PRESSAVG: 1885200 37.1468 -49.4734 -20.3835 -49.4734 -39.1724 -36.7838 -20.3834 -36.7838 22.0839 GPRESSAVG: 1885200 36.3085 -50.3435 -23.0639 -51.9538 -38.1179 -33.4151 -17.1748 -39.477 22.0669 TIMING: 1885200 CPU: 5629.77, 0.00295995/step Wall: 5629.77, 0.00295995/step, 2.56102 hours remaining, 208.066406 MB of memory in use. ENERGY: 1885200 759.5749 2037.7951 1958.9852 111.1005 -205865.8841 17610.2071 0.0000 0.0000 34208.0078 -149180.2134 298.7470 -183388.2213 -149089.1643 298.6294 -46.6101 -15.3333 558110.1475 6.6861 6.7525 PRESSURE: 1885400 -117.351 -22.5888 204.804 -22.5891 -73.3985 106.439 204.804 106.438 1.8178 GPRESSURE: 1885400 -81.3583 65.2667 71.7368 18.3383 -40.4715 64.2697 284.004 56.5095 19.0175 PRESSAVG: 1885400 18.2616 -38.1026 -28.2088 -38.1026 -3.86454 18.5275 -28.2089 18.5277 4.90515 GPRESSAVG: 1885400 17.6146 -38.1397 -25.873 -37.0002 -3.63829 15.4904 -30.5517 20.0094 4.86572 TIMING: 1885400 CPU: 5630.37, 0.00298755/step Wall: 5630.37, 0.00298755/step, 2.58473 hours remaining, 208.066406 MB of memory in use. ENERGY: 1885400 722.7226 2088.4411 1911.3537 122.9145 -205827.8442 17468.6131 0.0000 0.0000 34394.4458 -149119.3533 300.3753 -183513.7992 -149021.4809 299.4239 -62.9773 -34.2708 558671.7713 6.4341 6.2807 PRESSURE: 1885600 330.707 -22.9696 30.1104 -22.9692 331.157 5.24689 30.1118 5.24552 135.876 GPRESSURE: 1885600 319.973 -126.953 64.6415 48.98 369.446 22.9943 33.3169 3.43027 196.817 PRESSAVG: 1885600 61.1098 19.7097 -20.4431 19.7096 9.75699 35.5289 -20.4432 35.529 -65.387 GPRESSAVG: 1885600 60.6223 19.6479 -18.9831 21.7285 10.0261 34.5337 -21.5375 35.552 -65.2594 TIMING: 1885600 CPU: 5630.97, 0.00301111/step Wall: 5630.97, 0.00301111/step, 2.60495 hours remaining, 208.066406 MB of memory in use. ENERGY: 1885600 763.8684 2080.7511 1929.1488 108.3262 -206543.8179 18225.1702 0.0000 0.0000 34380.5553 -149055.9978 300.2539 -183436.5531 -148959.4395 299.6357 265.9135 295.4119 557769.3913 1.8266 1.7963 PRESSURE: 1885800 297.648 45.4975 -144.076 45.4982 131.934 31.099 -144.078 31.0985 -50.3668 GPRESSURE: 1885800 293.64 29.784 -159.297 117.649 198.196 77.2346 -121.846 -19.639 -15.6388 PRESSAVG: 1885800 37.7991 51.3629 -61.303 51.363 -7.51204 89.0746 -61.3029 89.0744 -15.4646 GPRESSAVG: 1885800 38.2933 49.2128 -64.1584 49.742 -7.82513 90.7089 -58.4136 89.327 -15.594 TIMING: 1885800 CPU: 5631.58, 0.00303269/step Wall: 5631.58, 0.00303269/step, 2.62345 hours remaining, 208.066406 MB of memory in use. ENERGY: 1885800 723.3354 2071.6203 1925.2605 112.4495 -206147.4327 18066.4360 0.0000 0.0000 34104.1662 -149144.1648 297.8402 -183248.3310 -149051.4219 299.2740 126.4053 158.7325 557524.2473 4.9408 4.9581 PRESSURE: 1886000 -58.5165 119.357 11.5571 119.357 -281.243 -20.291 11.5572 -20.2922 -285.786 GPRESSURE: 1886000 -43.3097 122.512 -55.3011 123.994 -222.915 -58.2175 -18.068 28.4406 -256.285 PRESSAVG: 1886000 -41.6403 2.61509 -14.1661 2.61517 7.67224 -6.81858 -14.1662 -6.81853 7.55019 GPRESSAVG: 1886000 -41.3781 4.67797 -13.9036 2.00764 7.4024 -7.96258 -15.2728 -6.65358 7.4134 TIMING: 1886000 CPU: 5632.18, 0.00299526/step Wall: 5632.18, 0.00299526/step, 2.5909 hours remaining, 208.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1886000 754.8874 2074.0446 1914.7036 123.7281 -205824.6894 17629.3801 0.0000 0.0000 34266.8863 -149061.0593 299.2612 -183327.9455 -148965.7411 298.8068 -208.5152 -174.1697 559648.2147 -8.8060 -8.8541 PRESSURE: 1886200 255.11 140.418 -6.92476 140.417 -48.9187 18.7189 -6.92538 18.7201 -136.016 GPRESSURE: 1886200 289.778 106.325 -20.2145 186.522 -67.0995 58.5666 22.691 50.7736 -69.269 PRESSAVG: 1886200 14.7777 -5.38744 40.4559 -5.38748 31.5942 11.4336 40.456 11.4337 -56.3729 GPRESSAVG: 1886200 14.7758 -4.42765 40.3664 -5.70113 32.0948 12.3354 40.5899 11.1686 -56.979 TIMING: 1886200 CPU: 5632.78, 0.00302394/step Wall: 5632.78, 0.00302394/step, 2.61554 hours remaining, 208.066406 MB of memory in use. ENERGY: 1886200 735.4242 2083.2356 1942.0320 107.2105 -206255.3465 17930.7019 0.0000 0.0000 34302.4757 -149154.2665 299.5721 -183456.7422 -149057.3153 299.4227 23.3918 51.1367 558361.8253 -3.3337 -3.3695 PRESSURE: 1886400 108.984 207.755 152.345 207.754 6.52026 -46.9785 152.345 -46.9785 169.524 GPRESSURE: 1886400 115.718 169.195 189.646 152.559 39.0566 34.6486 142.223 -26.2294 225.342 PRESSAVG: 1886400 18.1364 46.1501 52.2116 46.1502 33.3109 23.9282 52.2116 23.9281 -36.5559 GPRESSAVG: 1886400 17.7019 43.8603 52.7831 47.9726 32.4431 23.7168 52.0292 23.3463 -35.5614 TIMING: 1886400 CPU: 5633.38, 0.00299699/step Wall: 5633.38, 0.00299699/step, 2.59206 hours remaining, 208.066406 MB of memory in use. ENERGY: 1886400 754.9834 2106.6500 1943.4448 113.7341 -206643.8772 18154.8346 0.0000 0.0000 34326.2782 -149243.9522 299.7799 -183570.2304 -149145.0954 299.0588 95.0093 126.7055 558243.0724 4.9638 4.8612 PRESSURE: 1886600 -49.1457 -93.177 -75.2874 -93.177 -32.9054 10.5963 -75.2889 10.5966 90.3405 GPRESSURE: 1886600 29.6025 -3.81753 -28.0221 -180.977 -15.3864 -82.7102 -109.808 66.9556 80.4468 PRESSAVG: 1886600 26.9378 -27.4536 -12.818 -27.4536 24.5216 36.8389 -12.8179 36.8388 -32.7482 GPRESSAVG: 1886600 27.0116 -27.111 -13.7376 -27.908 24.1305 36.6219 -12.5189 36.5281 -32.7604 TIMING: 1886600 CPU: 5633.98, 0.00299644/step Wall: 5633.98, 0.00299644/step, 2.59142 hours remaining, 208.066406 MB of memory in use. ENERGY: 1886600 734.9375 2089.7328 1960.2024 111.2969 -206498.7355 17968.5114 0.0000 0.0000 34399.7413 -149234.3133 300.4215 -183634.0546 -149137.9575 298.7424 2.7631 31.5543 559660.6495 6.2371 6.1272 PRESSURE: 1886800 -106.648 96.4917 -105.847 96.4934 17.4696 -75.3226 -105.847 -75.3229 7.37895 GPRESSURE: 1886800 -92.5334 0.81537 -165.658 185.403 63.0775 -63.9916 -157.313 -36.4722 40.6858 PRESSAVG: 1886800 29.9151 26.344 12.3428 26.344 1.86581 -11.5936 12.3428 -11.5937 -77.3794 GPRESSAVG: 1886800 29.721 25.9172 13.0102 27.1453 2.43446 -11.046 11.6158 -11.6201 -77.9481 TIMING: 1886800 CPU: 5634.57, 0.00296124/step Wall: 5634.57, 0.00296124/step, 2.56081 hours remaining, 208.066406 MB of memory in use. ENERGY: 1886800 759.4075 2127.4927 1904.7845 99.9300 -205987.1707 17864.2067 0.0000 0.0000 34007.8789 -149223.4703 296.9993 -183231.3492 -149131.0845 298.9617 -27.2665 3.7433 556913.2098 -15.1995 -15.2642 PRESSURE: 1887000 -122.679 -172.856 35.6321 -172.857 -265.261 69.1095 35.6314 69.108 -181.44 GPRESSURE: 1887000 -95.2579 -138.764 11.1489 -83.7533 -262.132 129.629 -1.6069 25.0943 -133.066 PRESSAVG: 1887000 -30.3231 -5.44488 30.8456 -5.44489 30.0244 -22.6917 30.8457 -22.6916 10.1538 GPRESSAVG: 1887000 -30.6833 -6.40953 29.9599 -5.19764 30.1269 -25.2109 32.4326 -21.5328 10.3603 TIMING: 1887000 CPU: 5635.16, 0.00292717/step Wall: 5635.16, 0.00292717/step, 2.53119 hours remaining, 208.066406 MB of memory in use. ENERGY: 1887000 782.5393 2097.3973 1935.4955 127.9182 -205603.0519 17445.7155 0.0000 0.0000 34138.9232 -149075.0629 298.1437 -183213.9861 -148979.3830 299.3705 -189.7934 -163.4852 558991.0283 3.2851 3.2680 PRESSURE: 1887200 138.536 -157.554 99.1809 -157.553 135.94 -150.212 99.1816 -150.212 -1.7932 GPRESSURE: 1887200 234.625 -155.018 134.949 -207.985 151.642 -167.002 99.452 -118.166 -17.1139 PRESSAVG: 1887200 0.516965 -92.8777 33.5635 -92.8777 -1.43461 -39.5342 33.5634 -39.5342 -15.2049 GPRESSAVG: 1887200 1.78293 -90.9595 32.7018 -94.6935 -1.65937 -38.8636 33.856 -39.724 -16.0105 TIMING: 1887200 CPU: 5635.74, 0.00292686/step Wall: 5635.74, 0.00292686/step, 2.53076 hours remaining, 208.066406 MB of memory in use. ENERGY: 1887200 749.5813 2123.7925 1937.3681 106.5365 -206297.6314 18084.7008 0.0000 0.0000 34155.3822 -149140.2700 298.2874 -183295.6522 -149042.1909 298.7331 90.8943 123.0512 558963.9457 -5.3742 -5.2957 PRESSURE: 1887400 -98.7801 -69.9107 68.2032 -69.9098 -126.213 109.32 68.2038 109.319 36.6681 GPRESSURE: 1887400 -50.0742 7.09432 4.34867 -144.631 -119.636 101.141 121.036 85.2922 68.1226 PRESSAVG: 1887400 61.3051 -40.463 4.446 -40.463 26.3984 -17.1987 4.446 -17.1987 -45.9677 GPRESSAVG: 1887400 60.9925 -41.2345 5.54983 -39.9931 26.4316 -16.0173 4.3247 -16.0434 -45.862 TIMING: 1887400 CPU: 5636.33, 0.00295412/step Wall: 5636.33, 0.00295412/step, 2.55416 hours remaining, 208.066406 MB of memory in use. ENERGY: 1887400 771.6629 2169.1798 1951.8567 109.2789 -206199.6270 17764.7878 0.0000 0.0000 34310.9210 -149121.9399 299.6458 -183432.8609 -149029.9790 299.1436 -62.7750 -33.8625 557596.0421 13.9119 13.8540 PRESSURE: 1887600 78.3837 -60.1362 -157.081 -60.1371 -168.48 21.0839 -157.081 21.0823 -22.443 GPRESSURE: 1887600 59.1919 -37.3682 -104.35 -60.798 -136.764 43.4724 -106.395 64.9846 60.1612 PRESSAVG: 1887600 14.3112 -22.6601 -38.8664 -22.6601 -65.2455 3.62372 -38.8664 3.62379 76.8475 GPRESSAVG: 1887600 13.2096 -24.2354 -37.6944 -21.4579 -65.4476 2.98608 -38.4935 3.30653 77.9762 TIMING: 1887600 CPU: 5636.92, 0.00294452/step Wall: 5636.92, 0.00294452/step, 2.5457 hours remaining, 208.066406 MB of memory in use. ENERGY: 1887600 772.3293 2094.0173 1966.7392 114.5617 -206193.8938 17783.5944 0.0000 0.0000 34341.9203 -149120.7316 299.9165 -183462.6519 -149022.6125 299.8235 -37.5133 -5.8036 557934.3915 8.6377 8.5794 PRESSURE: 1887800 -116.723 11.1502 11.8152 11.151 -137.377 144.187 11.8148 144.188 -227.709 GPRESSURE: 1887800 -80.9563 8.0741 -75.3412 -22.2348 -103.404 164.023 -20.9571 72.1548 -209.832 PRESSAVG: 1887800 -8.79368 -2.18826 -11.758 -2.18817 28.0358 2.19236 -11.758 2.19241 -58.4195 GPRESSAVG: 1887800 -7.94291 -0.785225 -13.6316 -3.45922 28.1076 2.71778 -12.7161 0.709692 -59.5382 TIMING: 1887800 CPU: 5637.52, 0.00296056/step Wall: 5637.52, 0.00296056/step, 2.55941 hours remaining, 208.066406 MB of memory in use. ENERGY: 1887800 750.8459 2111.4265 1931.6888 115.3112 -205988.8142 17462.5653 0.0000 0.0000 34439.6495 -149177.3270 300.7700 -183616.9766 -149079.0854 299.7865 -160.6031 -131.3972 559055.8061 -13.0591 -13.1245 PRESSURE: 1888000 21.4176 -103.037 104.817 -103.036 129.026 -28.3152 104.819 -28.3148 295.17 GPRESSURE: 1888000 97.7062 -46.4614 107.339 -103.592 159.922 -66.6855 30.4319 22.5014 306.041 PRESSAVG: 1888000 -84.9782 -40.9926 10.4368 -40.9926 41.073 -49.121 10.4368 -49.1209 28.3568 GPRESSAVG: 1888000 -85.3243 -41.5168 11.6094 -40.7339 39.9647 -48.5245 11.2023 -49.0954 29.6088 TIMING: 1888000 CPU: 5638.11, 0.00297858/step Wall: 5638.11, 0.00297858/step, 2.57482 hours remaining, 208.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1888000 725.2814 2082.1840 1931.2782 110.4029 -206015.6185 17853.0597 0.0000 0.0000 34146.0616 -149167.3508 298.2060 -183313.4124 -149056.4924 299.1311 148.5380 187.8897 556059.8739 -5.1828 -5.2503 PRESSURE: 1888200 -469.422 -37.4195 85.2614 -37.4201 -10.7086 45.4845 85.2613 45.4834 -258.355 GPRESSURE: 1888200 -444.225 -1.53605 150.676 -126.034 2.93992 -49.9245 26.2573 38.1118 -198.367 PRESSAVG: 1888200 -48.1511 -27.2619 3.10623 -27.262 59.1963 11.035 3.10628 11.0349 16.3798 GPRESSAVG: 1888200 -47.6832 -26.5101 3.00482 -26.867 59.5054 10.5348 2.86439 14.0418 15.7843 TIMING: 1888200 CPU: 5638.71, 0.00297484/step Wall: 5638.71, 0.00297484/step, 2.57142 hours remaining, 208.066406 MB of memory in use. ENERGY: 1888200 774.1241 2115.1277 1942.7112 115.6300 -206021.1579 17660.6093 0.0000 0.0000 34270.9245 -149142.0312 299.2965 -183412.9556 -149043.4836 299.7455 -246.1616 -213.2173 558093.3150 9.1417 9.2022 LDB: ============= START OF LOAD BALANCING ============== 5642.25 LDB: ============== END OF LOAD BALANCING =============== 5642.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5642.25 LDB: ============= START OF LOAD BALANCING ============== 5642.55 LDB: Largest compute 4796 load 0.027924 is 23.6% of average load 0.118182 LDB: Average compute 0.001720 is 1.5% of average load 0.118182 LDB: TIME 5642.55 LOAD: AVG 0.118182 MAX 0.205086 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.871 MB LDB: TIME 5642.55 LOAD: AVG 0.118182 MAX 0.205086 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.875 MB LDB: TIME 5642.55 LOAD: AVG 0.118182 MAX 0.205086 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.875 MB LDB: ============== END OF LOAD BALANCING =============== 5642.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5642.56 PRESSURE: 1888400 -480.549 -104.666 147.944 -104.667 147.263 -80.0057 147.945 -80.0051 -137.6 GPRESSURE: 1888400 -387.062 -125.443 204.186 -120.415 111.357 -89.1894 173.708 -66.466 -93.8182 PRESSAVG: 1888400 -93.6103 -40.0412 28.4095 -40.0411 72.6049 -1.99157 28.4096 -1.99166 -2.16212 GPRESSAVG: 1888400 -94.286 -39.4388 27.8093 -40.3866 72.1549 -2.39833 28.2671 -6.10143 -1.55778 TIMING: 1888400 CPU: 5639.31, 0.00302356/step Wall: 5639.31, 0.00302356/step, 2.61337 hours remaining, 207.156250 MB of memory in use. ENERGY: 1888400 734.8526 2091.0931 1965.3736 119.1100 -205800.2131 17508.4582 0.0000 0.0000 34155.7164 -149225.6092 298.2904 -183381.3256 -149119.9557 299.1420 -156.9621 -123.1745 557535.2117 -7.7225 -7.8963 PRESSURE: 1888600 17.2422 -217.992 71.665 -217.991 38.5553 50.3057 71.6657 50.3064 246.836 GPRESSURE: 1888600 52.2738 -84.7717 122.571 -295.09 112.318 32.6478 87.6948 14.1559 230.628 PRESSAVG: 1888600 -11.006 -65.0189 23.346 -65.019 13.3204 7.62718 23.3461 7.62725 3.12385 GPRESSAVG: 1888600 -10.1917 -66.8384 25.5947 -64.7049 12.5486 7.94449 21.768 12.0227 2.31833 TIMING: 1888600 CPU: 5639.91, 0.00299451/step Wall: 5639.91, 0.00299451/step, 2.58809 hours remaining, 207.156250 MB of memory in use. ENERGY: 1888600 762.3200 2055.9410 1937.5954 117.4261 -206175.4923 17803.5375 0.0000 0.0000 34108.4742 -149390.1979 297.8778 -183498.6721 -149289.1052 299.3099 100.8780 131.7401 555486.3202 1.8127 1.5584 PRESSURE: 1888800 -114.974 -118.487 10.7099 -118.488 -201.192 -25.7366 10.7108 -25.7343 -5.02999 GPRESSURE: 1888800 -62.3874 -128.31 -4.09079 -170.661 -173.607 -11.4787 -1.91482 -89.3406 0.606428 PRESSAVG: 1888800 -60.4401 -24.7465 45.6013 -24.7465 55.8607 -6.88592 45.6013 -6.88603 -27.1165 GPRESSAVG: 1888800 -60.979 -25.0857 41.4154 -25.5326 55.8124 -7.44622 47.9723 -9.20468 -27.5644 TIMING: 1888800 CPU: 5640.51, 0.00299862/step Wall: 5640.51, 0.00299862/step, 2.59148 hours remaining, 207.156250 MB of memory in use. ENERGY: 1888800 713.9640 2106.6890 1939.8014 104.6036 -205781.0351 17420.3328 0.0000 0.0000 34146.7569 -149348.8874 298.2121 -183495.6442 -149262.3602 298.8603 -107.0654 -78.4626 555249.3463 -10.5653 -10.9103 PRESSURE: 1889000 -102.691 -228.45 -1.63509 -228.45 9.47206 35.5 -1.63552 35.499 -118.842 GPRESSURE: 1889000 -66.0781 -309.698 69.4649 -141.553 20.3769 60.1586 27.6676 -40.7788 -66.85 PRESSAVG: 1889000 -26.4279 -85.1899 12.6154 -85.1899 72.2735 67.1493 12.6155 67.1492 -29.7518 GPRESSAVG: 1889000 -26.4583 -83.3226 15.5069 -84.4261 72.2097 68.6442 12.3716 65.6607 -29.5557 TIMING: 1889000 CPU: 5641.11, 0.00301741/step Wall: 5641.11, 0.00301741/step, 2.60755 hours remaining, 207.156250 MB of memory in use. ENERGY: 1889000 752.6659 2164.9867 1951.8037 117.7506 -206018.2385 17478.9354 0.0000 0.0000 34097.7184 -149454.3778 297.7839 -183552.0962 -149363.1509 298.7775 -70.6870 -37.5170 555409.2174 5.3646 5.3986 PRESSURE: 1889200 70.514 -58.4113 -192.457 -58.4125 92.8747 26.9881 -192.457 26.9886 200.346 GPRESSURE: 1889200 109.351 -30.0959 -243.271 -59.1523 121.711 -40.2528 -210.079 116.865 235.429 PRESSAVG: 1889200 11.0616 -85.0426 -9.54631 -85.0424 -9.23583 51.6761 -9.54637 51.6761 39.471 GPRESSAVG: 1889200 11.9015 -86.1593 -10.4609 -85.2614 -10.3601 53.3441 -10.625 51.4767 40.1707 TIMING: 1889200 CPU: 5641.71, 0.00299113/step Wall: 5641.71, 0.00299113/step, 2.58467 hours remaining, 207.156250 MB of memory in use. ENERGY: 1889200 713.1089 2074.6778 1939.3798 114.1051 -206263.8702 17909.9026 0.0000 0.0000 34074.8294 -149437.8666 297.5840 -183512.6961 -149345.1068 298.8658 121.2450 155.4968 556034.3371 13.7656 13.9040 PRESSURE: 1889400 73.0812 -26.6208 77.9552 -26.6209 140.466 -16.6466 77.9554 -16.6469 -46.2281 GPRESSURE: 1889400 63.9448 -18.6871 79.0002 2.01 197.496 28.5444 98.8475 -9.39996 2.15427 PRESSAVG: 1889400 -3.30978 -18.0482 -15.0756 -18.0482 20.3036 -30.3223 -15.0756 -30.3223 -21.5895 GPRESSAVG: 1889400 -3.76387 -17.0023 -15.1924 -17.5638 21.5278 -31.6184 -14.117 -27.2883 -21.7128 TIMING: 1889400 CPU: 5642.31, 0.0029896/step Wall: 5642.31, 0.0029896/step, 2.58318 hours remaining, 207.156250 MB of memory in use. ENERGY: 1889400 761.0063 2084.0318 1921.7628 109.1227 -206408.4692 17863.5280 0.0000 0.0000 34250.1084 -149418.9091 299.1147 -183669.0175 -149318.5173 298.6489 55.7729 87.8650 556961.2326 -1.5319 -1.3163 PRESSURE: 1889600 28.8199 -4.11939 75.4971 -4.1199 90.5427 159.785 75.4978 159.785 186.26 GPRESSURE: 1889600 97.9264 44.2161 -32.6591 113.385 140.493 262.07 115.685 110.522 163.95 PRESSAVG: 1889600 -57.7358 -4.88613 -9.91725 -4.88613 23.4792 -31.9691 -9.91734 -31.9691 41.4824 GPRESSAVG: 1889600 -58.0462 -4.85439 -9.55696 -4.98671 24.9378 -33.7837 -10.234 -32.791 40.3021 TIMING: 1889600 CPU: 5642.9, 0.00296671/step Wall: 5642.9, 0.00296671/step, 2.56324 hours remaining, 207.156250 MB of memory in use. ENERGY: 1889600 781.1091 2044.6316 1925.7709 98.1362 -206399.3486 17983.7800 0.0000 0.0000 34302.4512 -149263.4695 299.5718 -183565.9207 -149166.2900 299.4025 101.8743 134.1230 557424.0927 2.4086 2.3979 PRESSURE: 1889800 326.596 -71.1362 81.6303 -71.1359 -276.9 -132.391 81.6289 -132.39 -311.66 GPRESSURE: 1889800 374.582 -13.9131 137.74 -89.0307 -244.427 -152.276 -28.494 -90.1716 -287.421 PRESSAVG: 1889800 -20.3869 -9.57301 -29.3381 -9.57299 7.1798 -5.21474 -29.338 -5.2148 -4.94435 GPRESSAVG: 1889800 -19.8217 -9.86104 -30.8794 -9.4225 5.76454 -4.44133 -27.9365 -6.10141 -4.53831 TIMING: 1889800 CPU: 5643.5, 0.00298038/step Wall: 5643.5, 0.00298038/step, 2.57488 hours remaining, 207.156250 MB of memory in use. ENERGY: 1889800 763.0295 2035.5097 1927.1490 108.9067 -205871.3310 17629.7970 0.0000 0.0000 34321.1659 -149085.7733 299.7353 -183406.9392 -148991.1360 299.4250 -87.3214 -52.4223 557499.6319 -6.0505 -6.1985 PRESSURE: 1890000 -249.846 -70.0581 82.9871 -70.0588 298.037 -66.301 82.9878 -66.3017 32.684 GPRESSURE: 1890000 -224.728 -155.04 142.87 -64.4193 298.082 -63.2303 35.0706 -115.591 114.051 PRESSAVG: 1890000 -7.00802 8.93533 51.1653 8.93523 30.095 40.6415 51.1653 40.6415 -0.516801 GPRESSAVG: 1890000 -7.28066 8.77668 53.9232 9.40515 30.655 41.9929 49.9557 42.0236 -0.380703 TIMING: 1890000 CPU: 5644.09, 0.00295866/step Wall: 5644.09, 0.00295866/step, 2.55596 hours remaining, 207.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1890000 730.8082 2093.9973 1944.8518 115.5435 -206138.0721 17629.1283 0.0000 0.0000 34509.8893 -149113.8537 301.3834 -183623.7430 -149026.8783 299.5028 26.9584 62.4682 557038.8655 7.5234 7.6645 PRESSURE: 1890200 -323.442 -16.8736 -47.4671 -16.8733 83.6026 -16.3618 -47.4676 -16.3622 -86.0588 GPRESSURE: 1890200 -279.516 -50.4264 -43.9858 69.154 94.9789 -17.969 -47.6222 28.5831 -47.1278 PRESSAVG: 1890200 -105.047 -46.2465 8.1492 -46.2464 48.1411 0.831647 8.1492 0.831703 61.4505 GPRESSAVG: 1890200 -106.227 -46.3056 7.68983 -45.4876 47.6762 -0.372598 5.26745 2.87783 62.7421 TIMING: 1890200 CPU: 5644.68, 0.00295706/step Wall: 5644.68, 0.00295706/step, 2.55441 hours remaining, 207.156250 MB of memory in use. ENERGY: 1890200 738.9052 2065.9806 1987.4578 120.7078 -205828.6797 17499.3635 0.0000 0.0000 34415.5812 -149000.6835 300.5598 -183416.2647 -148900.6187 300.1694 -108.6328 -77.2218 557639.9840 1.5148 1.3970 PRESSURE: 1890400 -461.874 -68.8734 -3.21678 -68.8735 -212.759 -33.7077 -3.21621 -33.7069 108.077 GPRESSURE: 1890400 -393.075 -4.13459 -67.3863 -85.9692 -163.246 37.5977 39.7353 -79.8821 95.3873 PRESSAVG: 1890400 -8.62207 -96.2939 -6.44714 -96.2939 -14.0509 -18.8209 -6.44711 -18.8208 24.1101 GPRESSAVG: 1890400 -7.9999 -96.9235 -8.00068 -96.7971 -13.6699 -18.6081 -3.18824 -20.7102 22.9275 TIMING: 1890400 CPU: 5645.28, 0.00297496/step Wall: 5645.28, 0.00297496/step, 2.5697 hours remaining, 207.156250 MB of memory in use. ENERGY: 1890400 746.9170 2094.0259 1935.6099 116.6822 -205904.0577 17575.3643 0.0000 0.0000 34384.5088 -149050.9496 300.2885 -183435.4584 -148956.0185 300.5645 -188.8520 -153.6445 558476.6431 0.4790 0.4192 PRESSURE: 1890600 -116.299 -31.5107 -162.154 -31.5108 -26.6487 18.4641 -162.155 18.4651 255.894 GPRESSURE: 1890600 -76.8875 -29.8543 -199.552 -21.6389 20.378 39.9505 -135.613 31.0194 274.807 PRESSAVG: 1890600 -40.687 3.64137 -20.4308 3.64141 -84.1466 -45.5261 -20.4308 -45.5259 108.281 GPRESSAVG: 1890600 -40.6395 4.33372 -22.5756 2.97444 -83.7987 -44.802 -18.2298 -45.5353 107.927 TIMING: 1890600 CPU: 5645.87, 0.00294321/step Wall: 5645.87, 0.00294321/step, 2.54212 hours remaining, 207.156250 MB of memory in use. ENERGY: 1890600 780.6507 2113.5378 1918.0406 109.8800 -206336.6647 17967.9998 0.0000 0.0000 34373.8099 -149072.7458 300.1950 -183446.5557 -148968.3358 299.9569 37.6487 72.7660 555605.1610 -5.5177 -5.5037 PRESSURE: 1890800 -241.341 57.1059 -149.514 57.1043 275.153 135.345 -149.514 135.344 126.208 GPRESSURE: 1890800 -195.496 101.482 -154.771 54.7333 300.387 85.307 -67.9795 183.177 167.931 PRESSAVG: 1890800 -20.1827 22.9443 -27.6004 22.9442 -60.2728 -6.74599 -27.6004 -6.74587 54.0867 GPRESSAVG: 1890800 -21.5833 23.0875 -22.5174 22.7562 -59.0607 -9.42847 -30.9073 -5.4938 54.0019 TIMING: 1890800 CPU: 5646.46, 0.00296157/step Wall: 5646.46, 0.00296157/step, 2.55781 hours remaining, 207.156250 MB of memory in use. ENERGY: 1890800 740.5522 2081.5062 1927.6972 114.8159 -206224.1113 17937.5572 0.0000 0.0000 34245.8006 -149176.1819 299.0771 -183421.9825 -149077.3932 299.7483 53.3398 90.9404 555561.2414 -8.7896 -8.8807 PRESSURE: 1891000 -41.8748 112.262 -52.9344 112.261 -35.3851 -131.209 -52.9347 -131.209 -254.003 GPRESSURE: 1891000 -64.1541 160.667 -60.4784 107.212 10.7844 -124.051 -15.2973 -34.3645 -175.854 PRESSAVG: 1891000 -0.169683 45.4302 -11.629 45.4303 -49.5491 -2.25554 -11.6289 -2.25546 27.0127 GPRESSAVG: 1891000 1.46969 47.0945 -10.8645 44.8651 -51.8845 -0.180739 -12.3893 -3.38575 27.2123 TIMING: 1891000 CPU: 5647.05, 0.00296356/step Wall: 5647.05, 0.00296356/step, 2.55936 hours remaining, 207.156250 MB of memory in use. ENERGY: 1891000 746.4014 2072.6011 1939.3396 111.1806 -206037.4722 17685.0537 0.0000 0.0000 34265.5418 -149217.3540 299.2495 -183482.8958 -149116.6110 299.7916 -110.4209 -76.4078 556351.4832 -7.5687 -7.7342 PRESSURE: 1891200 158.047 -51.86 75.5366 -51.8607 -220.904 -137.094 75.5355 -137.093 -163.663 GPRESSURE: 1891200 134.676 -123.879 48.5991 28.5885 -169.252 -78.8107 64.3311 -194.511 -111.418 PRESSAVG: 1891200 73.7011 -57.1535 13.1961 -57.1535 11.5508 3.06627 13.1962 3.0661 -27.6064 GPRESSAVG: 1891200 72.6969 -58.8131 9.59581 -56.1904 12.5596 4.76188 13.3506 2.98005 -28.1276 TIMING: 1891200 CPU: 5647.65, 0.00298515/step Wall: 5647.65, 0.00298515/step, 2.57785 hours remaining, 207.156250 MB of memory in use. ENERGY: 1891200 734.9121 2098.3639 1901.6439 128.9139 -206337.3452 17772.0420 0.0000 0.0000 34429.7586 -149271.7108 300.6836 -183701.4693 -149168.5061 299.6498 -75.5067 -48.6647 555202.3395 19.2151 19.0429 PRESSURE: 1891400 -352.135 -137.17 -6.13713 -137.17 -143.81 -48.5717 -6.13765 -48.5713 -275.404 GPRESSURE: 1891400 -291.165 -126.903 99.6761 -173.779 -162.68 -160.781 -21.0537 -2.8512 -216.227 PRESSAVG: 1891400 12.7842 2.16349 14.8751 2.16349 -17.7535 -14.7568 14.8751 -14.7567 -21.7087 GPRESSAVG: 1891400 13.9745 2.32107 16.5345 0.398346 -19.1564 -18.9899 16.2677 -13.8056 -21.4044 TIMING: 1891400 CPU: 5648.24, 0.00297905/step Wall: 5648.24, 0.00297905/step, 2.57241 hours remaining, 207.156250 MB of memory in use. ENERGY: 1891400 750.8543 2029.7591 1943.2293 107.2035 -205832.6882 17201.8322 0.0000 0.0000 34335.5571 -149464.2528 299.8610 -183799.8098 -149366.7525 299.5444 -257.1165 -223.3576 556108.9499 -8.8927 -8.8621 PRESSURE: 1891600 116.705 160.442 112.258 160.442 99.4666 -22.8283 112.257 -22.8283 -210.635 GPRESSURE: 1891600 103.849 160.484 105.227 246.359 91.5216 -38.7085 96.0522 14.0363 -100.619 PRESSAVG: 1891600 -0.0829948 -3.64723 -43.8741 -3.64727 -9.57037 15.9346 -43.874 15.9345 15.999 GPRESSAVG: 1891600 -1.20031 -2.00198 -42.9881 -3.4633 -8.12669 17.9231 -46.8312 16.3453 15.8747 TIMING: 1891600 CPU: 5648.84, 0.00296602/step Wall: 5648.84, 0.00296602/step, 2.561 hours remaining, 207.156250 MB of memory in use. ENERGY: 1891600 746.1438 2114.2266 1940.0792 113.3949 -206247.3582 17820.9764 0.0000 0.0000 34255.1419 -149257.3954 299.1587 -183512.5373 -149159.3336 299.1549 1.8456 31.5839 555439.8129 2.1152 2.1826 PRESSURE: 1891800 -130.858 106.344 -50.9303 106.344 -45.8185 -16.9835 -50.9299 -16.9835 -72.7017 GPRESSURE: 1891800 -70.2083 74.2372 -13.021 137.636 -35.7199 23.9358 -73.5969 -93.2806 -32.5127 PRESSAVG: 1891800 -28.8662 37.8775 -18.1979 37.8776 46.5297 46.6599 -18.1978 46.66 -5.36118 GPRESSAVG: 1891800 -29.1018 36.6581 -18.12 37.4345 46.1686 45.9742 -16.3281 46.3431 -4.31083 TIMING: 1891800 CPU: 5649.43, 0.00296423/step Wall: 5649.43, 0.00296423/step, 2.55929 hours remaining, 207.156250 MB of memory in use. ENERGY: 1891800 733.6138 2072.5920 1961.2000 105.1123 -205893.3954 17596.6962 0.0000 0.0000 34187.4927 -149236.6884 298.5679 -183424.1811 -149143.6632 299.8926 -83.1259 -46.1470 555679.5436 4.1008 4.2520 PRESSURE: 1892000 17.5813 75.7309 -175.798 75.7306 241.247 7.47259 -175.799 7.47406 8.74051 GPRESSURE: 1892000 -3.18081 40.7345 -154.049 29.318 335.898 -44.485 -220.572 -15.0469 42.7689 PRESSAVG: 1892000 -56.1602 4.9811 -35.1454 4.98104 20.3112 63.0022 -35.1455 63.0021 1.97339 GPRESSAVG: 1892000 -55.0663 5.35921 -36.0826 6.22609 20.7285 63.0318 -32.1459 61.9261 1.39424 TIMING: 1892000 CPU: 5650.02, 0.00297537/step Wall: 5650.02, 0.00297537/step, 2.56873 hours remaining, 207.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1892000 730.8312 2066.9920 1927.0459 108.1678 -206376.8093 17989.4144 0.0000 0.0000 34178.3448 -149376.0132 298.4880 -183554.3580 -149280.4622 299.0405 89.1897 125.1621 555763.6314 -11.2919 -10.9812 PRESSURE: 1892200 118.88 -84.6485 -63.0982 -84.649 212.242 129.981 -63.0968 129.981 42.5946 GPRESSURE: 1892200 148.648 -77.5262 -132.411 -37.1548 247.469 160.1 -64.2374 114.863 83.4599 PRESSAVG: 1892200 -37.606 12.1254 -19.5965 12.1256 12.1901 3.6986 -19.5964 3.69853 15.2715 GPRESSAVG: 1892200 -37.984 12.7276 -19.8455 10.4846 11.7162 5.98569 -22.7105 3.33601 15.779 TIMING: 1892200 CPU: 5650.62, 0.0029639/step Wall: 5650.62, 0.0029639/step, 2.55867 hours remaining, 207.156250 MB of memory in use. ENERGY: 1892200 770.2709 2107.6106 1927.3012 107.9768 -206626.8168 18152.0573 0.0000 0.0000 34287.4112 -149274.1888 299.4405 -183561.6000 -149180.3075 298.8485 124.5724 159.8590 557681.6697 -3.3815 -3.4963 LDB: ============= START OF LOAD BALANCING ============== 5654.17 LDB: ============== END OF LOAD BALANCING =============== 5654.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5654.17 LDB: ============= START OF LOAD BALANCING ============== 5654.47 LDB: Largest compute 4774 load 0.026852 is 22.7% of average load 0.118182 LDB: Average compute 0.001717 is 1.5% of average load 0.118182 LDB: TIME 5654.47 LOAD: AVG 0.118182 MAX 0.210942 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.121 MB LDB: TIME 5654.47 LOAD: AVG 0.118182 MAX 0.210942 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.184 MB LDB: TIME 5654.47 LOAD: AVG 0.118182 MAX 0.210942 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.184 MB LDB: ============== END OF LOAD BALANCING =============== 5654.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5654.47 PRESSURE: 1892400 -259.462 -10.796 122.219 -10.796 -154.162 85.2847 122.217 85.2837 -41.2365 GPRESSURE: 1892400 -232.008 64.3929 62.4597 -67.5262 -137.759 86.6497 178.072 -7.94998 9.04831 PRESSAVG: 1892400 -43.2787 -66.8448 23.1815 -66.8448 -4.29188 -8.66391 23.1815 -8.66383 29.7769 GPRESSAVG: 1892400 -42.651 -67.6778 22.9127 -66.4485 -4.50948 -10.3135 24.125 -9.89518 29.3167 TIMING: 1892400 CPU: 5651.22, 0.00303807/step Wall: 5651.22, 0.00303807/step, 2.62253 hours remaining, 208.507812 MB of memory in use. ENERGY: 1892400 739.6209 2138.5113 1913.8731 110.9692 -206158.5607 17664.2647 0.0000 0.0000 34224.1651 -149367.1563 298.8881 -183591.3215 -149273.0149 299.1874 -151.6201 -120.2397 559547.0961 -5.9312 -5.9480 PRESSURE: 1892600 198.926 -50.9763 -43.2695 -50.9757 16.4795 -74.9118 -43.2688 -74.9105 5.36658 GPRESSURE: 1892600 198.193 -138.167 -155.602 68.1882 58.45 -54.8547 12.5823 -48.6809 49.3863 PRESSAVG: 1892600 -19.3915 27.1057 -29.3707 27.1058 20.9119 20.7502 -29.3706 20.7502 -24.325 GPRESSAVG: 1892600 -18.8418 28.1357 -27.2406 26.5325 21.2695 20.0213 -30.7868 23.1193 -24.8905 TIMING: 1892600 CPU: 5651.82, 0.00298156/step Wall: 5651.82, 0.00298156/step, 2.57358 hours remaining, 208.578125 MB of memory in use. ENERGY: 1892600 730.1017 2091.6233 1958.7933 108.2091 -206662.6220 17982.7027 0.0000 0.0000 34449.9791 -149341.2128 300.8602 -183791.1919 -149255.1136 299.0413 73.5906 102.0098 557640.9947 -7.6015 -7.4876 PRESSURE: 1892800 -206.243 74.2234 204.841 74.2241 118.218 63.595 204.841 63.5943 57.0758 GPRESSURE: 1892800 -206.254 15.3579 296.202 12.744 173.207 47.897 163.705 51.0158 81.7633 PRESSAVG: 1892800 -47.1624 10.1482 47.2365 10.1481 -30.4611 11.3034 47.2366 11.3032 82.5511 GPRESSAVG: 1892800 -48.3481 8.69554 46.0312 10.9549 -28.7443 12.3493 47.9156 10.4734 82.176 TIMING: 1892800 CPU: 5652.42, 0.0030036/step Wall: 5652.42, 0.0030036/step, 2.59244 hours remaining, 208.578125 MB of memory in use. ENERGY: 1892800 726.3610 2126.1488 1943.6931 99.4787 -206041.3479 17709.4984 0.0000 0.0000 34183.7594 -149252.4084 298.5353 -183436.1678 -149164.4747 299.3742 -10.3163 16.2385 557756.3721 1.6425 1.6945 PRESSURE: 1893000 93.2741 7.50671 -75.2157 7.50621 -115.659 -17.3534 -75.216 -17.3525 164.965 GPRESSURE: 1893000 118.917 20.7634 -123.033 3.30242 -69.697 -21.362 -70.5081 -17.9602 171.799 PRESSAVG: 1893000 -78.5752 6.24898 14.7303 6.24897 22.7858 1.39998 14.7304 1.40011 56.1613 GPRESSAVG: 1893000 -78.3812 6.92156 12.9361 6.22179 21.2025 0.570361 15.3282 1.91873 58.3725 TIMING: 1893000 CPU: 5653.02, 0.00298933/step Wall: 5653.02, 0.00298933/step, 2.57996 hours remaining, 208.578125 MB of memory in use. ENERGY: 1893000 735.2777 2080.3517 1916.4422 97.2395 -206173.0407 17693.9221 0.0000 0.0000 34217.0253 -149432.7823 298.8258 -183649.8076 -149333.4594 298.7227 47.5270 73.6728 556349.5019 0.1240 0.3979 PRESSURE: 1893200 -149.649 19.9763 81.5974 19.9758 -173.426 65.8697 81.5968 65.8709 -321.799 GPRESSURE: 1893200 -96.2727 -42.1445 65.3324 22.0157 -131.539 20.0162 170.307 100.967 -311.016 PRESSAVG: 1893200 44.7527 33.7316 38.549 33.7316 -28.0611 45.2723 38.549 45.2725 -18.4293 GPRESSAVG: 1893200 45.0565 34.6535 40.1988 34.2724 -27.9807 43.81 39.5856 45.4606 -19.1536 TIMING: 1893200 CPU: 5653.61, 0.0029387/step Wall: 5653.61, 0.0029387/step, 2.5361 hours remaining, 208.578125 MB of memory in use. ENERGY: 1893200 760.0037 2115.9812 1930.0934 116.9990 -206099.1303 17525.1633 0.0000 0.0000 34153.2411 -149497.6486 298.2687 -183650.8897 -149394.2114 298.6349 -214.9579 -179.6093 556652.0912 -0.5792 -0.6926 PRESSURE: 1893400 -46.2752 -221.709 32.9581 -221.71 43.7283 -23.6753 32.957 -23.6763 193.771 GPRESSURE: 1893400 28.3408 -187.713 61.1381 -211.148 66.8969 -0.289547 2.12864 -69.0247 205.582 PRESSAVG: 1893400 -44.1117 -45.8664 16.2115 -45.8664 44.9852 50.1509 16.2115 50.1507 -11.3066 GPRESSAVG: 1893400 -43.9956 -46.146 15.9578 -45.9939 45.0883 51.1121 15.6335 50.0781 -11.6857 TIMING: 1893400 CPU: 5654.19, 0.00293284/step Wall: 5654.19, 0.00293284/step, 2.53088 hours remaining, 208.578125 MB of memory in use. ENERGY: 1893400 735.2822 2073.8970 1947.7749 101.1317 -206363.2289 17873.1034 0.0000 0.0000 34197.3112 -149434.7285 298.6536 -183632.0397 -149339.7522 299.1591 63.7412 100.2731 556176.8374 -3.4777 -3.5310 PRESSURE: 1893600 -126.037 43.0622 27.9537 43.0624 428.966 140.144 27.9545 140.144 72.9845 GPRESSURE: 1893600 -134.545 112.993 28.9595 -8.46621 500.449 92.7878 -40.2827 142.81 104.462 PRESSAVG: 1893600 -10.0995 -21.1944 16.2454 -21.1944 90.7349 2.76285 16.2453 2.76295 -90.8082 GPRESSAVG: 1893600 -10.7983 -22.3569 17.5841 -20.703 91.3803 2.73531 15.9006 1.97349 -91.3775 TIMING: 1893600 CPU: 5654.79, 0.00296054/step Wall: 5654.79, 0.00296054/step, 2.55462 hours remaining, 208.578125 MB of memory in use. ENERGY: 1893600 734.8333 2121.8863 1903.8725 121.1911 -206507.2615 17962.2739 0.0000 0.0000 34424.1628 -149239.0416 300.6348 -183663.2044 -149139.5925 298.9117 125.3045 156.7885 555994.3211 -3.3910 -3.5985 PRESSURE: 1893800 46.426 -29.2492 115.832 -29.2507 74.8187 -59.2913 115.832 -59.2911 -65.9638 GPRESSURE: 1893800 88.1952 44.5215 152.469 -26.1598 87.7456 18.103 80.9336 -109.302 -19.6362 PRESSAVG: 1893800 -56.1195 23.9703 14.6597 23.9703 154.514 8.36457 14.6597 8.36443 -71.8091 GPRESSAVG: 1893800 -55.5576 23.5167 14.4435 23.5164 153.465 8.81745 15.4871 7.89205 -71.6416 TIMING: 1893800 CPU: 5655.38, 0.0029712/step Wall: 5655.38, 0.0029712/step, 2.56365 hours remaining, 208.578125 MB of memory in use. ENERGY: 1893800 753.5381 2135.2563 1912.3719 109.8371 -206294.5565 17834.0961 0.0000 0.0000 34331.0090 -149218.4480 299.8212 -183549.4570 -149126.5095 298.6580 18.4270 52.1015 555396.5515 8.8616 8.7554 PRESSURE: 1894000 71.9651 -86.4925 -90.7903 -86.4919 109.447 -137.427 -90.7894 -137.428 -73.3317 GPRESSURE: 1894000 124.679 -59.193 -110.09 -129.612 102.882 -106.286 -107.605 -142.994 -37.9911 PRESSAVG: 1894000 -49.9009 -9.01201 35.1654 -9.01203 80.8931 0.31604 35.1654 0.316004 -14.1127 GPRESSAVG: 1894000 -48.74 -8.38044 34.7277 -9.09465 79.8486 0.689966 34.658 1.39936 -13.7893 TIMING: 1894000 CPU: 5655.98, 0.00298261/step Wall: 5655.98, 0.00298261/step, 2.57333 hours remaining, 208.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1894000 746.2927 2143.7615 1903.5333 129.4296 -206074.5927 17666.1638 0.0000 0.0000 34319.5935 -149165.8182 299.7215 -183485.4118 -149076.6571 299.3191 36.0269 63.1898 556509.7569 5.6265 5.7731 PRESSURE: 1894200 -75.8581 21.2016 23.7875 21.2026 156.615 77.789 23.7872 77.791 14.8968 GPRESSURE: 1894200 -36.5711 17.8075 -62.3569 -11.8533 175.965 138.121 -36.9059 67.113 52.9832 PRESSAVG: 1894200 -26.5789 -18.2925 -13.9179 -18.2925 10.9429 -11.6302 -13.9179 -11.6302 25.153 GPRESSAVG: 1894200 -28.2199 -19.096 -14.9271 -16.3213 11.9638 -12.2827 -12.8894 -12.2631 25.522 TIMING: 1894200 CPU: 5656.58, 0.00300217/step Wall: 5656.58, 0.00300217/step, 2.59004 hours remaining, 208.578125 MB of memory in use. ENERGY: 1894200 723.4507 2119.5066 1910.4660 113.0098 -205887.2948 17615.8905 0.0000 0.0000 34281.8437 -149123.1275 299.3919 -183404.9712 -149027.4132 299.3895 31.8847 64.1257 557002.1427 3.1723 3.0886 PRESSURE: 1894400 180.597 -68.1946 -37.6508 -68.1955 131.642 -10.3527 -37.6507 -10.3527 -299.811 GPRESSURE: 1894400 158.583 -44.0733 -25.6715 -50.7749 214.168 -91.266 -9.1983 -19.1063 -260.332 PRESSAVG: 1894400 -1.35648 10.6949 36.4181 10.6949 8.24109 4.74313 36.4181 4.74313 42.6035 GPRESSAVG: 1894400 1.4713 11.4607 37.3261 10.3735 6.2401 4.85391 36.6106 4.65977 41.6534 TIMING: 1894400 CPU: 5657.18, 0.00300907/step Wall: 5657.18, 0.00300907/step, 2.59583 hours remaining, 208.578125 MB of memory in use. ENERGY: 1894400 734.8484 2113.4877 1925.8441 112.2517 -206000.5554 17624.8062 0.0000 0.0000 34175.5678 -149313.7495 298.4637 -183489.3173 -149211.4487 299.6242 4.1423 37.4731 555488.0385 16.4960 16.4549 PRESSURE: 1894600 59.4507 -81.1559 -53.1264 -81.1573 -355.286 221.761 -53.1259 221.759 73.288 GPRESSURE: 1894600 88.519 -23.2087 -88.7542 -132.587 -283.371 198.914 -37.0075 243.115 73.7545 PRESSAVG: 1894600 62.9476 -30.0017 -14.3083 -30.0016 -45.0704 44.4185 -14.3082 44.4185 40.1929 GPRESSAVG: 1894600 61.4987 -28.9338 -12.9058 -30.9695 -43.9629 44.7621 -14.8053 45.7159 40.203 TIMING: 1894600 CPU: 5657.78, 0.00301063/step Wall: 5657.78, 0.00301063/step, 2.597 hours remaining, 208.578125 MB of memory in use. ENERGY: 1894600 734.5682 2115.4069 1911.8009 116.0402 -205936.5358 17629.9621 0.0000 0.0000 34180.2685 -149248.4889 298.5048 -183428.7574 -149147.6846 299.7712 -74.1824 -40.3659 558224.8192 19.3567 19.2463 PRESSURE: 1894800 40.1456 77.5296 -26.1602 77.5297 -46.5252 -14.9807 -26.16 -14.9815 124.818 GPRESSURE: 1894800 70.3886 112.377 19.3568 32.2034 -18.4233 -20.6932 33.9651 -28.6568 169.377 PRESSAVG: 1894800 -54.2837 49.9302 24.8671 49.9301 -37.3305 15.8689 24.8671 15.869 52.1908 GPRESSAVG: 1894800 -55.3737 49.0804 22.9145 49.8955 -36.1907 14.211 24.3887 15.0683 52.5561 TIMING: 1894800 CPU: 5658.37, 0.00296552/step Wall: 5658.37, 0.00296552/step, 2.55792 hours remaining, 208.578125 MB of memory in use. ENERGY: 1894800 752.7356 2094.0082 1942.9481 120.2565 -206553.1387 18035.1169 0.0000 0.0000 34462.4516 -149145.6219 300.9692 -183608.0735 -149046.8933 299.5784 39.4795 73.7809 557194.5276 -13.1411 -13.0028 PRESSURE: 1895000 -210.775 -15.1865 44.6818 -15.1869 167.649 -31.7639 44.6833 -31.7643 -200.874 GPRESSURE: 1895000 -170.536 -7.5109 73.3047 -35.8689 169.865 -24.0431 -8.21342 24.7327 -141.827 PRESSAVG: 1895000 28.2123 20.2262 39.9252 20.2263 -7.26367 -9.07553 39.9252 -9.07549 29.2421 GPRESSAVG: 1895000 28.1697 20.4103 39.7445 20.3163 -7.43486 -8.36467 40.8571 -9.18048 30.159 TIMING: 1895000 CPU: 5658.97, 0.00296885/step Wall: 5658.97, 0.00296885/step, 2.56064 hours remaining, 208.578125 MB of memory in use. ENERGY: 1895000 784.2636 2062.3803 1937.0825 107.0097 -206025.9202 17665.4301 0.0000 0.0000 34252.0167 -149217.7374 299.1314 -183469.7541 -149122.3725 299.1804 -81.3334 -47.4994 558077.2693 16.7303 16.9646 PRESSURE: 1895200 39.0718 -95.6999 82.3673 -95.6999 -113.667 14.1632 82.3665 14.1637 72.5253 GPRESSURE: 1895200 74.4574 -155.983 81.5417 -112.175 -48.4994 49.3758 132.041 17.5729 64.5899 PRESSAVG: 1895200 8.91083 17.3337 79.6415 17.3336 -19.2118 22.0797 79.6415 22.0796 -16.7963 GPRESSAVG: 1895200 9.43467 16.7265 81.6272 16.4813 -18.8435 23.8921 78.9538 20.8614 -17.8979 TIMING: 1895200 CPU: 5659.56, 0.00296074/step Wall: 5659.56, 0.00296074/step, 2.55347 hours remaining, 208.578125 MB of memory in use. ENERGY: 1895200 747.3005 2106.8997 1935.8359 102.7452 -206161.1172 17790.9528 0.0000 0.0000 34244.7080 -149232.6751 299.0676 -183477.3832 -149135.4363 299.4130 -0.6901 30.1826 557724.3821 -9.0324 -9.1022 PRESSURE: 1895400 75.7727 70.8132 71.1468 70.813 -217.353 67.9361 71.1453 67.9357 -115.127 GPRESSURE: 1895400 62.3121 25.7049 27.3267 28.6685 -151.699 -44.6078 53.737 62.44 -67.242 PRESSAVG: 1895400 -18.6352 -28.4797 -8.04367 -28.4798 -51.8953 60.0111 -8.0436 60.0111 39.2678 GPRESSAVG: 1895400 -18.5481 -28.0916 -9.70781 -28.506 -52.2041 59.0478 -7.5056 62.7695 39.2729 TIMING: 1895400 CPU: 5660.15, 0.00294305/step Wall: 5660.15, 0.00294305/step, 2.53806 hours remaining, 208.664062 MB of memory in use. ENERGY: 1895400 763.9177 2096.7612 1945.3278 117.6541 -206195.7024 17683.3821 0.0000 0.0000 34195.3251 -149393.3344 298.6363 -183588.6595 -149296.7679 298.9917 -85.5692 -52.2097 556254.9541 -10.4209 -10.4931 PRESSURE: 1895600 305.969 11.1301 -20.0483 11.1309 278.835 101.387 -20.0484 101.386 -95.3245 GPRESSURE: 1895600 312.9 -17.4508 -11.0107 40.1029 308.964 161.375 -13.2377 126.58 -40.3566 PRESSAVG: 1895600 58.9509 15.1777 56.4423 15.1776 -18.6126 -26.7702 56.4422 -26.77 -26.3405 GPRESSAVG: 1895600 58.3068 16.2626 56.8655 13.9053 -17.6025 -27.4765 54.7316 -26.8338 -26.552 TIMING: 1895600 CPU: 5660.74, 0.00294598/step Wall: 5660.74, 0.00294598/step, 2.54042 hours remaining, 208.664062 MB of memory in use. ENERGY: 1895600 768.8314 2139.1291 1919.0204 115.7630 -206738.9658 18113.0411 0.0000 0.0000 34338.5694 -149344.6114 299.8873 -183683.1808 -149244.4407 299.8433 163.1597 193.8358 556286.9387 4.6659 4.7174 PRESSURE: 1895800 -134.408 -225.226 -100.833 -225.226 129.658 -53.5651 -100.833 -53.5655 166.748 GPRESSURE: 1895800 -84.069 -298.277 -132.551 -208.361 104.034 -71.2209 -45.8047 -6.63491 238.815 PRESSAVG: 1895800 -20.6179 -33.8482 40.375 -33.8482 27.5444 13.0348 40.3749 13.0348 -38.7571 GPRESSAVG: 1895800 -20.4461 -36.8173 40.9097 -32.4618 27.7134 14.7557 39.4236 13.6637 -38.4621 TIMING: 1895800 CPU: 5661.33, 0.002936/step Wall: 5661.33, 0.002936/step, 2.53165 hours remaining, 208.664062 MB of memory in use. ENERGY: 1895800 757.0415 2097.0074 1946.9285 121.8833 -206288.1597 17886.9981 0.0000 0.0000 34117.4303 -149360.8707 297.9560 -183478.3010 -149262.4881 298.8937 53.9992 86.2602 556659.6832 -10.6102 -10.3983 PRESSURE: 1896000 -181.265 84.598 -44.275 84.5994 30.1413 -109.286 -44.2753 -109.287 -162.52 GPRESSURE: 1896000 -161.045 69.4748 -29.9728 28.5595 53.58 -72.8145 -118.286 -124.721 -104.965 PRESSAVG: 1896000 -43.0477 -6.12725 -16.6084 -6.1273 46.1663 18.0289 -16.6083 18.0289 6.83363 GPRESSAVG: 1896000 -42.6682 -5.35836 -17.4193 -6.84946 44.6727 17.6367 -14.548 15.9637 8.53476 TIMING: 1896000 CPU: 5661.92, 0.00297203/step Wall: 5661.92, 0.00297203/step, 2.56255 hours remaining, 208.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1896000 738.3508 2065.9059 1951.1290 105.5496 -206338.6645 17732.2282 0.0000 0.0000 34247.2333 -149498.2677 299.0896 -183745.5010 -149397.1837 298.8862 -104.5480 -70.8101 556997.8631 3.3174 3.5131 PRESSURE: 1896200 37.1364 -135.278 36.346 -135.276 -101.758 118.013 36.3457 118.013 -187.249 GPRESSURE: 1896200 40.8551 -119.949 12.7003 -152.031 -46.2789 109.107 60.0834 -7.27398 -146.604 PRESSAVG: 1896200 13.0164 -9.05333 41.3054 -9.05332 53.3625 -42.1548 41.3055 -42.1548 -71.2697 GPRESSAVG: 1896200 13.522 -9.23015 41.6701 -9.23731 53.8048 -41.43 40.4257 -41.3133 -72.9996 TIMING: 1896200 CPU: 5662.52, 0.00298433/step Wall: 5662.52, 0.00298433/step, 2.57299 hours remaining, 208.664062 MB of memory in use. ENERGY: 1896200 762.0396 2081.8297 1910.4087 115.9427 -206171.5112 17693.2861 0.0000 0.0000 34135.3912 -149472.6132 298.1129 -183608.0044 -149375.7109 299.1948 -83.9569 -50.6759 558036.5287 -1.6303 -1.8910 LDB: ============= START OF LOAD BALANCING ============== 5666.06 LDB: ============== END OF LOAD BALANCING =============== 5666.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5666.06 LDB: ============= START OF LOAD BALANCING ============== 5666.36 LDB: Largest compute 4773 load 0.025922 is 21.9% of average load 0.118134 LDB: Average compute 0.001727 is 1.5% of average load 0.118134 LDB: TIME 5666.36 LOAD: AVG 0.118134 MAX 0.207611 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.984 MB LDB: TIME 5666.36 LOAD: AVG 0.118134 MAX 0.207611 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.047 MB LDB: TIME 5666.36 LOAD: AVG 0.118134 MAX 0.207611 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.047 MB LDB: ============== END OF LOAD BALANCING =============== 5666.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5666.37 PRESSURE: 1896400 127.676 -92.3845 15.4643 -92.3846 164.437 39.4013 15.4622 39.4031 -257.652 GPRESSURE: 1896400 115.799 -124.111 31.7115 -89.5224 189.961 84.1123 -52.0584 -8.52032 -181.636 PRESSAVG: 1896400 38.431 15.6836 1.61259 15.6835 -47.4533 12.2108 1.61261 12.2108 -20.4353 GPRESSAVG: 1896400 36.6639 14.8747 0.891409 15.2504 -45.7082 10.5477 1.32896 12.1457 -19.9989 TIMING: 1896400 CPU: 5663.12, 0.00300906/step Wall: 5663.12, 0.00300906/step, 2.59415 hours remaining, 205.960938 MB of memory in use. ENERGY: 1896400 719.2645 2133.2906 1935.1494 105.4745 -206332.9061 17744.7661 0.0000 0.0000 34164.5839 -149530.3771 298.3678 -183694.9610 -149433.4499 298.8560 11.4869 41.3746 557233.3417 -9.8192 -9.6810 PRESSURE: 1896600 -79.1845 53.7955 -25.3287 53.7961 -264.602 115.88 -25.3283 115.88 -331.196 GPRESSURE: 1896600 -78.1279 139.914 -7.40118 -5.65188 -207.765 31.6497 -65.7699 88.7913 -281.454 PRESSAVG: 1896600 21.4188 0.852512 -51.7927 0.852398 5.77649 -55.4089 -51.7927 -55.4088 22.5626 GPRESSAVG: 1896600 23.289 2.42355 -50.6505 2.85158 4.78291 -55.4417 -51.83 -55.3754 21.9456 TIMING: 1896600 CPU: 5663.72, 0.00298973/step Wall: 5663.72, 0.00298973/step, 2.57732 hours remaining, 205.960938 MB of memory in use. ENERGY: 1896600 772.9809 2095.7597 1946.4220 115.8681 -206477.5555 17838.9607 0.0000 0.0000 34063.3090 -149644.2552 297.4833 -183707.5642 -149544.5260 298.4005 -224.9943 -189.1156 559850.5573 16.5860 16.6725 PRESSURE: 1896800 -177.715 -68.5923 -149.615 -68.5922 -323.734 192.341 -149.614 192.341 -468.131 GPRESSURE: 1896800 -182.842 -206.836 -34.6143 13.9859 -279.047 192.9 -120.222 173.405 -407.276 PRESSAVG: 1896800 -13.4948 -39.7747 -23.9269 -39.7746 -13.5257 -34.8011 -23.9269 -34.8011 -22.6577 GPRESSAVG: 1896800 -13.9256 -39.4816 -22.6568 -40.2903 -13.9191 -35.5012 -22.3193 -33.2838 -22.2977 TIMING: 1896800 CPU: 5664.31, 0.00297902/step Wall: 5664.31, 0.00297901/step, 2.56791 hours remaining, 205.960938 MB of memory in use. ENERGY: 1896800 760.5976 2103.2770 1910.8961 113.4609 -206088.0610 17500.0121 0.0000 0.0000 34113.3462 -149586.4710 297.9203 -183699.8172 -149494.2730 298.3024 -323.1933 -289.7216 558808.7939 -16.5594 -16.7142 PRESSURE: 1897000 -237.011 -125.261 113.436 -125.26 -1.1853 204.719 113.435 204.719 -139.717 GPRESSURE: 1897000 -217.557 -50.8735 129.276 -130.443 82.8566 128.981 73.4986 146.592 -134.749 PRESSAVG: 1897000 19.5087 6.51912 80.4137 6.51917 1.94121 -5.19139 80.4137 -5.19134 2.43489 GPRESSAVG: 1897000 19.6212 7.53153 77.9007 5.51263 2.41173 -2.56849 79.395 -8.77764 1.96542 TIMING: 1897000 CPU: 5664.91, 0.00297456/step Wall: 5664.91, 0.00297456/step, 2.56391 hours remaining, 205.960938 MB of memory in use. ENERGY: 1897000 761.8522 2069.0148 1959.9325 104.1660 -206261.1581 17638.0936 0.0000 0.0000 34265.6018 -149462.4973 299.2500 -183728.0991 -149372.7289 298.1590 -125.9712 -89.8164 557339.0315 7.9616 7.9994 PRESSURE: 1897200 -239.977 -63.471 -161.533 -63.4712 116.435 -24.2513 -161.532 -24.2507 165.358 GPRESSURE: 1897200 -189.47 -28.701 -158.203 -41.5328 140.654 -129.328 -97.238 93.478 190.442 PRESSAVG: 1897200 -38.1998 8.01498 -2.13231 8.01493 24.6554 4.29637 -2.13227 4.29655 -10.534 GPRESSAVG: 1897200 -38.6843 8.72117 -0.631985 9.11197 24.4395 2.45001 -2.77539 6.32749 -9.68892 TIMING: 1897200 CPU: 5665.5, 0.00297878/step Wall: 5665.5, 0.00297878/step, 2.56738 hours remaining, 205.960938 MB of memory in use. ENERGY: 1897200 730.3200 2038.1857 1950.6349 115.4805 -206086.8071 17837.9289 0.0000 0.0000 34102.2487 -149312.0083 297.8234 -183414.2571 -149218.4851 299.1586 13.9387 47.2087 558075.4164 -8.0261 -7.9779 PRESSURE: 1897400 -234.417 60.2848 32.4337 60.2856 -54.955 112.433 32.4342 112.433 280.584 GPRESSURE: 1897400 -170.618 24.7556 46.2238 3.50892 -14.9502 144.976 -37.6226 17.1572 279.004 PRESSAVG: 1897400 -45.8874 -13.7053 38.692 -13.7053 20.7782 0.544533 38.692 0.544545 72.7519 GPRESSAVG: 1897400 -44.3425 -14.3195 37.7946 -16.5429 20.2619 0.766639 41.1168 -1.78672 72.2763 TIMING: 1897400 CPU: 5666.1, 0.00299811/step Wall: 5666.1, 0.00299811/step, 2.58387 hours remaining, 205.960938 MB of memory in use. ENERGY: 1897400 725.4033 2081.2364 1955.4248 111.8191 -206374.9408 17878.6128 0.0000 0.0000 34361.0031 -149261.4414 300.0832 -183622.4445 -149167.0722 299.2022 -2.9293 31.1456 557647.7875 15.8809 16.0652 PRESSURE: 1897600 -254.403 -108.819 -20.5735 -108.818 -107.569 -76.7779 -20.5729 -76.7777 97.2364 GPRESSURE: 1897600 -186.135 -204.064 -50.5728 -44.4166 -87.3253 -64.6382 23.4673 -55.7796 103.18 PRESSAVG: 1897600 41.6868 -2.9031 66.0044 -2.90311 -54.4714 20.7539 66.0043 20.7539 14.4201 GPRESSAVG: 1897600 39.0769 -5.72705 65.656 -1.51802 -52.3998 20.2993 64.4962 22.2424 15.2149 TIMING: 1897600 CPU: 5666.7, 0.0029799/step Wall: 5666.7, 0.0029799/step, 2.56801 hours remaining, 205.960938 MB of memory in use. ENERGY: 1897600 758.7896 2082.5170 1970.9081 101.1377 -206136.4076 17739.9380 0.0000 0.0000 34422.9469 -149060.1703 300.6242 -183483.1172 -148958.6098 299.5295 -88.2454 -56.7600 557949.6774 0.5451 0.6307 PRESSURE: 1897800 -27.3679 67.5974 134.358 67.597 23.2753 97.8588 134.358 97.8608 -11.0709 GPRESSURE: 1897800 -18.6667 40.5352 108.245 51.2429 13.1769 61.8067 74.8005 154.106 87.6362 PRESSAVG: 1897800 -15.9167 -28.4864 7.41905 -28.4864 4.97898 -3.1696 7.41906 -3.16952 37.5215 GPRESSAVG: 1897800 -14.0591 -28.8448 5.6649 -26.4712 4.86666 -2.93571 9.03873 -2.22434 36.3346 TIMING: 1897800 CPU: 5667.3, 0.00299335/step Wall: 5667.3, 0.00299335/step, 2.57943 hours remaining, 205.960938 MB of memory in use. ENERGY: 1897800 725.7609 2050.3297 1952.4073 122.1429 -205852.4568 17713.0410 0.0000 0.0000 34394.3353 -148894.4398 300.3743 -183288.7750 -148793.6748 299.9742 -5.0545 27.3822 558233.2076 8.8612 9.0474 PRESSURE: 1898000 -192.829 -38.3651 -75.2497 -38.3646 -67.8546 -46.616 -75.25 -46.6152 -91.0287 GPRESSURE: 1898000 -94.5249 -129.742 -98.1258 34.6846 25.7827 -5.51737 -66.7154 -68.8671 -162.356 PRESSAVG: 1898000 -18.411 29.9554 -37.3983 29.9554 7.35897 -40.8054 -37.3983 -40.8054 -45.452 GPRESSAVG: 1898000 -18.6558 30.1857 -36.6164 29.6044 6.90624 -38.6973 -39.4074 -42.9408 -44.5499 TIMING: 1898000 CPU: 5667.89, 0.00295623/step Wall: 5667.89, 0.00295623/step, 2.54728 hours remaining, 205.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1898000 725.4345 2073.0506 1932.8032 111.9635 -205712.1593 17635.8141 0.0000 0.0000 34310.3324 -148922.7610 299.6407 -183233.0934 -148825.2263 300.0126 -117.2373 -77.0328 558462.2497 -18.8347 -18.7665 PRESSURE: 1898200 -63.467 70.6201 -152.617 70.6209 -45.0362 -116.642 -152.617 -116.642 72.8851 GPRESSURE: 1898200 2.33947 107.864 -152.466 74.5627 -29.082 -148.227 -204.485 -179.922 98.5858 PRESSAVG: 1898200 17.2217 22.9794 15.433 22.9795 25.6467 -28.7442 15.4331 -28.7442 -22.3845 GPRESSAVG: 1898200 17.4717 25.0475 19.469 21.6927 25.5615 -31.2912 15.028 -26.6496 -22.0836 TIMING: 1898200 CPU: 5668.48, 0.00295766/step Wall: 5668.48, 0.00295766/step, 2.54835 hours remaining, 205.960938 MB of memory in use. ENERGY: 1898200 762.5963 2089.7106 1930.4557 120.7852 -205783.9621 17647.0950 0.0000 0.0000 34361.2757 -148872.0435 300.0856 -183233.3192 -148775.2758 300.0036 -11.8727 23.9478 557840.2948 6.8279 6.9832 PRESSURE: 1898400 -344.104 161.139 61.5777 161.137 -102.757 -42.6363 61.5772 -42.6375 -275.958 GPRESSURE: 1898400 -308.926 207.373 -0.436141 118.657 -96.1932 -79.7097 74.9659 6.78386 -215.372 PRESSAVG: 1898400 41.5105 74.1933 11.8287 74.1934 -54.1573 -41.3464 11.8286 -41.3463 9.56078 GPRESSAVG: 1898400 40.7764 74.0135 7.37922 73.9568 -53.3698 -41.3529 14.4513 -41.6293 10.029 TIMING: 1898400 CPU: 5669.07, 0.00297093/step Wall: 5669.07, 0.00297093/step, 2.55962 hours remaining, 205.960938 MB of memory in use. ENERGY: 1898400 726.0042 2035.3852 1940.6088 122.4857 -205457.3888 17317.9230 0.0000 0.0000 34366.9053 -148948.0766 300.1347 -183314.9819 -148846.6416 299.9553 -240.9398 -206.8302 559798.3419 -1.0287 -0.8548 PRESSURE: 1898600 60.1285 -66.9646 33.4004 -66.9647 371.297 -61.0393 33.3999 -61.0406 60.5959 GPRESSURE: 1898600 45.6217 -53.9989 67.9515 -59.088 386.424 -25.4533 27.329 -169.135 139.431 PRESSAVG: 1898600 -61.7361 11.0376 0.504299 11.0377 94.5241 -31.0921 0.504399 -31.0921 -44.4656 GPRESSAVG: 1898600 -60.019 10.9714 2.05804 12.1152 92.9982 -32.1259 -0.927933 -30.1637 -44.9776 TIMING: 1898600 CPU: 5669.67, 0.0029599/step Wall: 5669.67, 0.0029599/step, 2.54995 hours remaining, 205.960938 MB of memory in use. ENERGY: 1898600 731.7176 2062.4547 1951.4698 108.1952 -206269.7593 18054.8728 0.0000 0.0000 34335.9715 -149025.0776 299.8646 -183361.0491 -148923.0485 299.6579 164.0071 190.4922 558696.4385 -3.8926 -3.9995 PRESSURE: 1898800 71.0134 17.9353 -76.5473 17.9357 60.6743 -96.0557 -76.5464 -96.0553 -81.4895 GPRESSURE: 1898800 85.703 50.4515 -109.766 41.592 57.3297 -77.9944 -52.5061 -102.042 -2.7967 PRESSAVG: 1898800 51.0873 -25.1494 16.5762 -25.1494 -3.34272 -41.1903 16.5763 -41.1902 -57.562 GPRESSAVG: 1898800 50.7555 -26.0477 16.9826 -24.3835 -2.63448 -39.8803 15.5446 -42.3784 -57.9367 TIMING: 1898800 CPU: 5670.26, 0.00294859/step Wall: 5670.26, 0.00294859/step, 2.54004 hours remaining, 205.960938 MB of memory in use. ENERGY: 1898800 745.8304 2087.5088 1944.2486 111.9063 -206453.9608 17933.7173 0.0000 0.0000 34574.3524 -149056.3968 301.9464 -183630.7492 -148955.2187 299.5222 16.7327 46.7453 556961.9942 -3.2725 -3.2719 PRESSURE: 1899000 17.8542 12.4112 -102.67 12.4107 84.9406 -178.849 -102.67 -178.85 -17.1794 GPRESSURE: 1899000 49.4121 -29.0593 -135.039 -17.633 76.3332 -180.278 -119.548 -230.887 51.2011 PRESSAVG: 1899000 16.7384 -2.03391 11.4577 -2.03385 39.0291 28.2433 11.4578 28.2433 -94.9447 GPRESSAVG: 1899000 15.7043 -0.51578 9.28329 -3.44137 38.9507 27.72 12.2321 29.2904 -93.3276 TIMING: 1899000 CPU: 5670.85, 0.00294935/step Wall: 5670.85, 0.00294935/step, 2.54054 hours remaining, 205.960938 MB of memory in use. ENERGY: 1899000 725.7620 2096.7749 1958.3053 130.3959 -205841.1494 17682.8244 0.0000 0.0000 34050.0493 -149197.0376 297.3675 -183247.0869 -149098.3465 299.4013 28.5385 58.9821 557210.8012 -13.0590 -12.8909 PRESSURE: 1899200 5.28913 90.1627 -131.772 90.1639 -208.874 63.9501 -131.771 63.9493 -306.214 GPRESSURE: 1899200 -18.6464 38.893 -92.0985 -9.80417 -76.2995 120.323 -170.942 76.7816 -302.052 PRESSAVG: 1899200 4.65574 -79.5809 -48.9349 -79.5808 2.96664 -31.8958 -48.9349 -31.8958 5.04623 GPRESSAVG: 1899200 5.37339 -79.8253 -46.9995 -81.0388 2.83287 -29.9282 -51.2744 -33.1803 4.27558 TIMING: 1899200 CPU: 5671.44, 0.00298299/step Wall: 5671.44, 0.00298299/step, 2.56935 hours remaining, 205.960938 MB of memory in use. ENERGY: 1899200 760.6278 2090.8952 1921.7896 113.9479 -205764.8485 17582.4862 0.0000 0.0000 34133.0389 -149162.0630 298.0923 -183295.1019 -149061.3612 299.1563 -169.9328 -132.3327 558084.1571 4.2229 4.1606 PRESSURE: 1899400 -22.079 -6.22356 123.244 -6.22245 245.21 2.33518 123.245 2.33497 -125.32 GPRESSURE: 1899400 -24.8448 -16.5433 99.547 -13.352 280.926 -90.8874 143.421 -43.1613 -42.6286 PRESSAVG: 1899400 15.4593 -10.3898 -31.0512 -10.3897 -29.2586 16.3634 -31.0514 16.3633 -9.39227 GPRESSAVG: 1899400 15.546 -13.3309 -32.3719 -10.1859 -28.4485 14.8715 -29.8343 17.0805 -10.4603 TIMING: 1899400 CPU: 5672.03, 0.00293525/step Wall: 5672.03, 0.00293525/step, 2.52807 hours remaining, 205.960938 MB of memory in use. ENERGY: 1899400 703.0941 2115.2062 1935.9440 114.1192 -205994.6233 17670.4573 0.0000 0.0000 34230.5629 -149225.2394 298.9440 -183455.8024 -149131.2311 298.9440 32.6036 71.1510 556118.3675 -7.7305 -7.7876 PRESSURE: 1899600 128.045 2.74289 27.4561 2.74203 55.2874 -158.785 27.4566 -158.785 54.038 GPRESSURE: 1899600 135.442 -30.9875 60.8047 -0.841575 126.614 -135.668 30.4574 -160.629 65.5188 PRESSAVG: 1899600 -41.7638 26.5218 50.3329 26.5219 2.70847 -7.81688 50.3329 -7.81682 38.2598 GPRESSAVG: 1899600 -42.0951 26.0812 51.1736 29.0714 0.146965 -9.40423 50.9615 -7.43585 40.7454 TIMING: 1899600 CPU: 5672.62, 0.0029345/step Wall: 5672.62, 0.0029345/step, 2.52726 hours remaining, 205.960938 MB of memory in use. ENERGY: 1899600 722.6768 2094.5410 1932.8031 121.3732 -206304.3352 18017.5865 0.0000 0.0000 34160.8938 -149254.4609 298.3356 -183415.3547 -149159.8903 299.1612 79.1235 109.1917 556755.4206 -0.2652 -0.4009 PRESSURE: 1899800 -26.1534 -196.446 -22.8729 -196.446 122.244 -121.778 -22.8738 -121.778 115.971 GPRESSURE: 1899800 43.9718 -247.387 -53.1867 -172.107 123.964 -74.1209 69.5797 -117.068 143.783 PRESSAVG: 1899800 -16.7534 -65.5077 46.2103 -65.5077 39.5205 -38.3962 46.2104 -38.3962 13.2324 GPRESSAVG: 1899800 -16.7595 -64.5553 45.3529 -66.7395 41.1308 -37.0583 46.8575 -39.319 11.4946 TIMING: 1899800 CPU: 5673.21, 0.00295358/step Wall: 5673.21, 0.00295358/step, 2.54352 hours remaining, 205.960938 MB of memory in use. ENERGY: 1899800 750.1202 2076.4396 1929.8010 124.6418 -206604.6141 18040.2962 0.0000 0.0000 34413.7916 -149269.5238 300.5442 -183683.3154 -149173.2456 299.2084 70.6872 103.9063 557396.1983 11.9998 11.9553 PRESSURE: 1900000 -240.289 -82.6051 -84.0593 -82.6048 -64.7477 -78.4458 -84.0596 -78.4461 461.748 GPRESSURE: 1900000 -196.271 8.33039 -148.279 -110.643 -8.26489 -33.631 -58.3391 -13.1579 450.458 PRESSAVG: 1900000 21.4276 -61.8298 27.9233 -61.8298 -39.4204 2.92431 27.9234 2.92436 19.12 GPRESSAVG: 1900000 23.0777 -60.911 25.7833 -61.7432 -39.7906 2.39578 28.758 1.72259 17.9952 TIMING: 1900000 CPU: 5673.8, 0.0029688/step Wall: 5673.8, 0.0029688/step, 2.55647 hours remaining, 205.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1900000 728.1979 2093.0354 1917.5788 112.6455 -206016.5590 17793.6119 0.0000 0.0000 34151.7879 -149219.7016 298.2561 -183371.4896 -149118.0416 299.1082 52.2371 81.9741 556439.8557 0.3757 0.4274 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1900000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 1900000 WRITING COORDINATES TO RESTART FILE AT STEP 1900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1900200 -94.4948 -43.0332 -128.036 -43.0319 -29.7599 19.8324 -128.037 19.8323 272.04 GPRESSURE: 1900200 -85.6422 -10.2981 -67.2636 -98.9061 21.4177 -7.09276 -127.248 49.7051 324.827 PRESSAVG: 1900200 -60.6791 -16.5058 15.3859 -16.5057 -21.6666 22.8069 15.386 22.8069 95.5628 GPRESSAVG: 1900200 -62.5722 -15.8809 17.8618 -16.8984 -20.5083 23.1794 13.0547 24.1586 96.3966 TIMING: 1900200 CPU: 5674.42, 0.00309133/step Wall: 5674.42, 0.00309133/step, 2.66181 hours remaining, 205.960938 MB of memory in use. ENERGY: 1900200 744.7051 2080.4012 1889.7883 115.6254 -205981.0489 17836.5708 0.0000 0.0000 34127.4909 -149186.4673 298.0439 -183313.9582 -149086.6182 299.6163 49.2616 86.8674 558089.9307 4.4057 4.4387 LDB: ============= START OF LOAD BALANCING ============== 5677.97 LDB: ============== END OF LOAD BALANCING =============== 5677.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5677.97 LDB: ============= START OF LOAD BALANCING ============== 5678.27 LDB: Largest compute 4773 load 0.026306 is 22.3% of average load 0.118184 LDB: Average compute 0.001735 is 1.5% of average load 0.118184 LDB: TIME 5678.27 LOAD: AVG 0.118184 MAX 0.208643 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 5678.27 LOAD: AVG 0.118184 MAX 0.208643 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: TIME 5678.27 LOAD: AVG 0.118184 MAX 0.208643 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: ============== END OF LOAD BALANCING =============== 5678.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5678.28 PRESSURE: 1900400 -183.051 -23.5507 72.2576 -23.5514 -34.5754 -58.4165 72.2576 -58.4157 -58.7355 GPRESSURE: 1900400 -136.747 -101.314 159.735 56.9135 -6.55215 -89.0987 0.624621 20.6621 -39.3309 PRESSAVG: 1900400 -46.0125 6.11079 -6.57607 6.11082 33.0196 29.3119 -6.57605 29.3118 2.95311 GPRESSAVG: 1900400 -45.8929 4.55893 -5.80626 7.04913 33.4177 30.4854 -5.73762 27.1928 2.74592 TIMING: 1900400 CPU: 5675.03, 0.0030362/step Wall: 5675.03, 0.0030362/step, 2.61417 hours remaining, 206.714844 MB of memory in use. ENERGY: 1900400 735.5168 2078.7259 1915.9089 115.0468 -205961.8894 17649.8604 0.0000 0.0000 34514.1225 -148952.7081 301.4204 -183466.8306 -148847.6083 299.3950 -92.1205 -60.8768 558279.2169 -3.3466 -3.2431 PRESSURE: 1900600 62.2417 -16.089 -3.10139 -16.0897 -75.131 122.741 -3.10185 122.74 184.054 GPRESSURE: 1900600 99.8656 76.0821 -66.2697 25.8584 -40.0051 136.107 -25.9695 41.5652 205.763 PRESSAVG: 1900600 -9.75175 25.3731 5.92049 25.3731 -27.4223 9.43529 5.9204 9.43525 32.8698 GPRESSAVG: 1900600 -9.58868 26.7743 6.43614 24.8234 -27.2879 7.08155 4.1982 11.5233 33.2748 TIMING: 1900600 CPU: 5675.62, 0.00298395/step Wall: 5675.62, 0.00298395/step, 2.56902 hours remaining, 206.714844 MB of memory in use. ENERGY: 1900600 763.2033 2090.8205 1906.4838 119.0115 -206018.8241 17849.3238 0.0000 0.0000 34021.9553 -149268.0259 297.1222 -183289.9812 -149173.9569 299.6530 57.0548 88.5411 556058.3948 -1.4348 -1.2006 PRESSURE: 1900800 66.5847 -75.9262 13.6397 -75.9268 -210.098 -11.2675 13.6397 -11.2657 160.28 GPRESSURE: 1900800 75.634 -75.6372 18.6649 -130.497 -205.09 -18.9738 -42.8186 -65.7479 243.503 PRESSAVG: 1900800 -33.0952 -33.2097 10.2371 -33.2098 21.5667 -23.6125 10.237 -23.6124 -12.6986 GPRESSAVG: 1900800 -32.6255 -34.4911 9.6719 -32.8034 20.8225 -22.1861 10.7094 -25.6371 -12.1296 TIMING: 1900800 CPU: 5676.21, 0.00295892/step Wall: 5676.21, 0.00295892/step, 2.5473 hours remaining, 206.714844 MB of memory in use. ENERGY: 1900800 713.9137 2106.4905 1951.3852 114.9407 -206473.4768 17868.5497 0.0000 0.0000 34411.3919 -149306.8053 300.5232 -183718.1971 -149205.2069 298.9005 5.5887 38.0156 556243.5262 -8.0757 -7.9775 PRESSURE: 1901000 -109.465 45.5904 10.1946 45.5906 -198.913 193.625 10.1937 193.625 -46.2252 GPRESSURE: 1901000 -145.433 83.0737 -60.0618 48.6686 -149.552 199.774 -18.4261 167.185 40.7441 PRESSAVG: 1901000 -12.5231 -15.8997 37.2314 -15.8998 -16.3457 -39.6458 37.2315 -39.6458 32.4806 GPRESSAVG: 1901000 -12.3283 -12.9923 37.5516 -18.2187 -16.811 -41.1743 37.5286 -37.5699 33.1097 TIMING: 1901000 CPU: 5676.81, 0.0029624/step Wall: 5676.81, 0.0029624/step, 2.55013 hours remaining, 206.714844 MB of memory in use. ENERGY: 1901000 697.0136 2105.3720 1919.8103 112.4691 -205746.1818 17480.3652 0.0000 0.0000 34314.5925 -149116.5593 299.6779 -183431.1517 -149025.6852 299.2071 -118.2012 -84.7471 557617.7109 1.2039 1.3234 PRESSURE: 1901200 253.967 34.0073 106.421 34.0079 -196.768 -200.29 106.42 -200.29 -8.09183 GPRESSURE: 1901200 256.454 41.3043 95.0087 15.1138 -133.161 -203.217 87.5372 -163.131 22.3511 PRESSAVG: 1901200 -1.76347 -0.426011 -7.26877 -0.426093 -33.161 3.54799 -7.26871 3.54811 -25.0771 GPRESSAVG: 1901200 -1.9746 -2.08642 -7.72242 0.880002 -31.636 5.95179 -6.23452 3.06267 -26.0744 TIMING: 1901200 CPU: 5677.4, 0.00296218/step Wall: 5677.4, 0.00296218/step, 2.54978 hours remaining, 206.714844 MB of memory in use. ENERGY: 1901200 774.0761 2046.2348 1911.0174 106.6358 -205716.8214 17582.7410 0.0000 0.0000 34435.1178 -148860.9984 300.7304 -183296.1162 -148763.9114 300.0133 16.3689 48.5481 555821.9317 -20.0005 -19.8950 PRESSURE: 1901400 -180.132 139.943 -137.943 139.943 -99.7419 -3.01773 -137.943 -3.01628 -77.1907 GPRESSURE: 1901400 -197.978 156.168 -171.613 115.494 -54.9392 -2.01721 -53.2112 -75.6427 5.30364 PRESSAVG: 1901400 7.89123 65.2064 -46.5398 65.2063 30.3201 -57.6655 -46.5399 -57.6656 -12.9997 GPRESSAVG: 1901400 8.16364 66.2235 -46.9495 64.9121 29.5123 -57.3484 -45.7313 -56.7152 -12.6072 TIMING: 1901400 CPU: 5678, 0.00300822/step Wall: 5678, 0.00300823/step, 2.58925 hours remaining, 206.714844 MB of memory in use. ENERGY: 1901400 733.5686 2083.8866 1915.0886 109.7168 -205627.3850 17438.5011 0.0000 0.0000 34622.2680 -148724.3551 302.3649 -183346.6232 -148626.8915 301.1079 -119.0217 -82.5379 556628.4043 8.4039 8.3563 PRESSURE: 1901600 102.537 -126.356 143.756 -126.357 45.9256 150.02 143.756 150.021 218.717 GPRESSURE: 1901600 177.38 -85.0455 90.972 -114.655 73.0764 169.497 112.417 151.736 215.964 PRESSAVG: 1901600 -0.982638 -44.3648 42.2622 -44.3648 75.2572 -30.6565 42.2622 -30.6566 -39.7654 GPRESSAVG: 1901600 -0.914355 -42.581 43.3717 -43.5672 76.103 -32.5803 41.1193 -31.2683 -39.9946 TIMING: 1901600 CPU: 5678.6, 0.00298242/step Wall: 5678.6, 0.00298242/step, 2.56687 hours remaining, 206.714844 MB of memory in use. ENERGY: 1901600 757.1931 2060.9178 1948.8402 111.7004 -206020.5595 18075.5966 0.0000 0.0000 34479.5895 -148586.7220 301.1188 -183066.3114 -148485.6396 300.8495 122.3933 155.4734 558700.0687 11.5030 11.7313 PRESSURE: 1901800 -117.601 28.0965 21.2635 28.0963 -215.438 -224.315 21.2623 -224.313 107.436 GPRESSURE: 1901800 -136.387 27.4961 4.57064 21.6386 -111.253 -209.749 68.2531 -191.948 119.555 PRESSAVG: 1901800 21.1951 45.4813 45.5813 45.4812 22.0704 6.21993 45.5814 6.21994 -19.1827 GPRESSAVG: 1901800 21.9463 42.5846 47.7891 44.325 21.8873 7.96056 43.0527 4.59955 -20.0541 TIMING: 1901800 CPU: 5679.2, 0.00298707/step Wall: 5679.2, 0.00298707/step, 2.5707 hours remaining, 206.714844 MB of memory in use. ENERGY: 1901800 754.4807 2095.0382 1921.8080 107.2238 -205518.1956 17476.5069 0.0000 0.0000 34550.9858 -148612.1522 301.7424 -183163.1380 -148511.6040 300.6537 -75.2013 -42.6951 557683.4760 8.0276 7.9265 PRESSURE: 1902000 93.8337 -16.5502 105.036 -16.5497 -295.18 -34.6628 105.035 -34.662 -156.43 GPRESSURE: 1902000 77.3142 25.418 85.919 -50.6548 -261.539 22.3169 35.0534 -52.7433 -72.9053 PRESSAVG: 1902000 -36.796 35.5573 22.8727 35.5572 -21.9774 -6.19173 22.8726 -6.19169 64.3945 GPRESSAVG: 1902000 -37.7386 37.2333 19.9352 37.2995 -22.709 -7.71486 24.7847 -6.5566 65.889 TIMING: 1902000 CPU: 5679.79, 0.00299539/step Wall: 5679.79, 0.00299539/step, 2.5777 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1902000 824.2708 2055.5300 1907.6190 117.5714 -205581.5612 17548.9625 0.0000 0.0000 34308.3714 -148819.2360 299.6235 -183127.6074 -148734.8059 300.6746 -119.2587 -85.7100 558302.6432 1.8737 1.8138 PRESSURE: 1902200 -197.738 3.82495 230.413 3.82447 -69.149 -23.7053 230.415 -23.7051 -14.8725 GPRESSURE: 1902200 -150.045 11.2289 199.71 35.3563 -39.1377 -13.0874 184.543 79.9246 14.5992 PRESSAVG: 1902200 31.0592 33.0912 35.7561 33.0912 -81.4136 2.15988 35.7562 2.1599 17.6562 GPRESSAVG: 1902200 29.6927 31.8907 38.1829 30.9393 -79.9175 1.22305 34.8611 5.54624 17.6326 TIMING: 1902200 CPU: 5680.39, 0.00297243/step Wall: 5680.39, 0.00297243/step, 2.55777 hours remaining, 206.714844 MB of memory in use. ENERGY: 1902200 766.9630 2035.5860 1944.2894 115.0499 -205510.6731 17609.2442 0.0000 0.0000 34103.3730 -148936.1675 297.8332 -183039.5405 -148843.0061 299.8242 -93.9198 -58.1944 558491.5796 -10.8994 -10.8640 PRESSURE: 1902400 17.8078 -41.6101 -11.5034 -41.6093 57.3604 -8.11161 -11.5028 -8.1131 202.485 GPRESSURE: 1902400 45.5288 -72.5625 -10.2249 14.1655 121.579 7.41457 -28.4274 -30.7366 212.397 PRESSAVG: 1902400 -30.5947 42.1996 13.2074 42.1996 23.6838 26.3433 13.2073 26.3433 20.8945 GPRESSAVG: 1902400 -29.1398 44.509 11.6494 42.7963 23.575 26.5029 16.8625 24.6536 18.8097 TIMING: 1902400 CPU: 5680.99, 0.00298749/step Wall: 5680.99, 0.00298749/step, 2.57057 hours remaining, 206.714844 MB of memory in use. ENERGY: 1902400 753.3528 2023.8555 1923.1541 106.3511 -206074.2189 17920.5690 0.0000 0.0000 34462.2026 -148884.7339 300.9670 -183346.9364 -148794.2009 300.1076 92.5512 126.5014 556916.4823 4.6612 4.4150 PRESSURE: 1902600 -199.885 4.40208 109.919 4.40241 81.6831 -171.787 109.917 -171.787 170.603 GPRESSURE: 1902600 -163.483 -57.0217 133.769 -16.6894 103.669 -258.032 84.0318 -204.696 207.169 PRESSAVG: 1902600 2.41606 -1.17726 28.8387 -1.17722 0.685629 9.01391 28.8387 9.01396 -20.789 GPRESSAVG: 1902600 2.29739 -3.05292 27.3759 0.834215 -0.555834 10.7 28.3114 7.4178 -19.4259 TIMING: 1902600 CPU: 5681.58, 0.00297843/step Wall: 5681.58, 0.00297843/step, 2.56261 hours remaining, 206.714844 MB of memory in use. ENERGY: 1902600 788.1666 2056.5131 1927.7848 112.7299 -206012.3868 17866.6493 0.0000 0.0000 34359.8213 -148900.7218 300.0729 -183260.5430 -148807.4234 300.4538 17.4670 49.1182 557444.8596 -5.8958 -5.8948 PRESSURE: 1902800 -194.694 10.8056 -128.493 10.806 -66.0357 -36.318 -128.494 -36.319 34.4366 GPRESSURE: 1902800 -171.036 122.169 -93.9419 -14.5122 -16.7878 77.5416 -154.937 -110.276 70.1477 PRESSAVG: 1902800 51.133 -18.4699 -38.6325 -18.47 37.5861 -33.8683 -38.6326 -33.8681 -69.8491 GPRESSAVG: 1902800 49.5759 -18.6514 -36.5178 -19.7056 38.972 -35.0438 -40.4765 -33.5825 -69.9967 TIMING: 1902800 CPU: 5682.17, 0.00296575/step Wall: 5682.17, 0.00296575/step, 2.55153 hours remaining, 206.714844 MB of memory in use. ENERGY: 1902800 741.1739 2067.7663 1938.4671 112.1050 -205688.3371 17586.7149 0.0000 0.0000 34233.0379 -149009.0722 298.9656 -183242.1100 -148918.9580 300.2747 -75.4309 -39.2254 559477.1004 6.2900 6.1838 PRESSURE: 1903000 187.807 140.762 -73.9487 140.763 66.9572 26.5363 -73.9479 26.5366 71.4126 GPRESSURE: 1903000 208.081 174.382 -140.455 121.592 57.7172 -55.5917 -135.914 79.2951 147.095 PRESSAVG: 1903000 -10.2452 25.9425 -24.6977 25.9426 31.094 -59.7457 -24.6977 -59.7456 -21.318 GPRESSAVG: 1903000 -8.27038 24.9023 -25.886 26.4383 30.6987 -60.1266 -23.5695 -58.2148 -23.0474 TIMING: 1903000 CPU: 5682.77, 0.00299949/step Wall: 5682.77, 0.00299949/step, 2.5804 hours remaining, 206.714844 MB of memory in use. ENERGY: 1903000 743.8392 2060.6623 1946.9942 112.6994 -206253.3698 18075.9456 0.0000 0.0000 34492.9365 -148820.2926 301.2354 -183313.2291 -148720.4567 299.6996 108.7257 137.6311 558055.9027 -0.1564 -0.2064 PRESSURE: 1903200 -113.971 181.442 97.8263 181.443 120.536 106.984 97.8252 106.984 -77.6094 GPRESSURE: 1903200 -52.4366 195.089 148.92 170.945 138.605 26.0874 49.2751 60.6233 -66.9296 PRESSAVG: 1903200 20.15 49.9684 11.9342 49.9684 6.15874 -63.7982 11.9342 -63.7981 -33.359 GPRESSAVG: 1903200 18.445 52.3202 12.2455 48.2295 5.97754 -64.4704 11.2405 -64.9288 -31.6844 TIMING: 1903200 CPU: 5683.37, 0.00297152/step Wall: 5683.37, 0.00297152/step, 2.55617 hours remaining, 206.714844 MB of memory in use. ENERGY: 1903200 730.4577 2079.5022 1946.5315 116.5074 -205833.7824 17928.7282 0.0000 0.0000 34262.3071 -148769.7484 299.2212 -183032.0555 -148672.4229 299.9766 -23.6816 6.4129 558983.4376 -2.3501 -2.4206 PRESSURE: 1903400 -95.0089 -41.9908 -137.988 -41.9916 91.0021 -11.0045 -137.989 -11.0053 190.292 GPRESSURE: 1903400 -97.6655 -52.7074 -52.5031 -26.7497 120.543 -85.2157 -38.9633 152.893 259.34 PRESSAVG: 1903400 -63.655 13.6991 -2.09943 13.699 58.7292 -67.9746 -2.09944 -67.9746 7.78098 GPRESSAVG: 1903400 -63.0063 12.2802 -3.09276 14.4391 58.654 -67.0044 -0.0463822 -68.3664 6.82972 TIMING: 1903400 CPU: 5683.96, 0.00295813/step Wall: 5683.96, 0.00295813/step, 2.54449 hours remaining, 206.714844 MB of memory in use. ENERGY: 1903400 745.7386 2106.4341 1928.4115 109.5044 -206046.5223 17752.5634 0.0000 0.0000 34378.4996 -149025.3707 300.2360 -183403.8703 -148925.5909 299.9253 62.0952 94.0724 557613.8898 0.9517 0.8258 PRESSURE: 1903600 -208.927 56.6565 -163.552 56.6569 13.6429 83.2053 -163.551 83.2052 -211.53 GPRESSURE: 1903600 -203.172 71.6256 -236.177 -2.56417 2.66136 65.1672 -15.6911 112.1 -117.674 PRESSAVG: 1903600 -70.1087 -0.251367 -10.2412 -0.251419 5.87804 -21.4619 -10.2413 -21.462 47.759 GPRESSAVG: 1903600 -70.3684 3.08132 -10.1391 -2.25372 5.50683 -21.8995 -10.1005 -21.2912 48.6657 TIMING: 1903600 CPU: 5684.55, 0.00296837/step Wall: 5684.55, 0.00296837/step, 2.55312 hours remaining, 206.714844 MB of memory in use. ENERGY: 1903600 774.4385 2145.4039 1919.3682 110.7771 -206295.3767 17858.0427 0.0000 0.0000 34250.1175 -149237.2288 299.1148 -183487.3463 -149140.5181 299.2037 -135.6047 -106.0618 556963.5161 -5.4906 -5.3986 PRESSURE: 1903800 -188.478 122.676 -5.95031 122.675 -161.347 -162.793 -5.94925 -162.792 427.838 GPRESSURE: 1903800 -204.962 198.791 54.2754 77.0129 -84.5363 -146.973 -5.20201 -166.092 465.297 PRESSAVG: 1903800 -72.2875 -1.71706 -16.536 -1.71709 38.8229 -30.2057 -16.536 -30.2058 29.2753 GPRESSAVG: 1903800 -73.0044 -3.28378 -15.3238 -1.22254 39.8924 -30.164 -19.2028 -29.8741 28.6184 TIMING: 1903800 CPU: 5685.14, 0.00295137/step Wall: 5685.14, 0.00295137/step, 2.53834 hours remaining, 206.714844 MB of memory in use. ENERGY: 1903800 765.1957 2081.8637 1897.3833 126.5956 -206390.8652 17982.1410 0.0000 0.0000 34195.6245 -149342.0613 298.6389 -183537.6857 -149240.9149 299.4580 26.0043 58.5994 558121.4310 -1.3964 -1.4979 PRESSURE: 1904000 -9.31791 19.0478 88.5656 19.0489 85.6187 -44.4562 88.5675 -44.4568 -87.412 GPRESSURE: 1904000 56.3171 32.1352 -25.8283 -25.2555 96.3447 -52.082 130.949 -31.4338 -58.4547 PRESSAVG: 1904000 -81.7746 6.46285 -17.3244 6.46294 -41.5271 -40.5463 -17.3243 -40.5462 65.6297 GPRESSAVG: 1904000 -81.5932 5.31917 -18.5434 7.98684 -42.1104 -39.7509 -16.2698 -40.8475 65.6092 TIMING: 1904000 CPU: 5685.74, 0.00296668/step Wall: 5685.74, 0.00296668/step, 2.55134 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1904000 727.7198 2128.2927 1924.8729 121.3818 -206480.3896 17950.3012 0.0000 0.0000 34062.1332 -149565.6879 297.4731 -183627.8212 -149472.2227 298.1733 -3.7037 31.4024 559603.2996 -19.2240 -19.3648 PRESSURE: 1904200 44.7943 -75.3575 53.8915 -75.3567 -174.263 -84.339 53.8914 -84.3386 151.022 GPRESSURE: 1904200 17.7046 -64.3287 73.9905 -32.3623 -113.182 -81.0804 -14.7433 -42.9964 207.564 PRESSAVG: 1904200 7.05162 -31.9581 -5.30492 -31.9581 -11.2417 -33.582 -5.3049 -33.5822 21.6032 GPRESSAVG: 1904200 5.49283 -31.3383 -2.88362 -31.3014 -11.3756 -32.1217 -6.58965 -34.672 22.7148 TIMING: 1904200 CPU: 5686.34, 0.00299017/step Wall: 5686.34, 0.00299017/step, 2.57138 hours remaining, 206.714844 MB of memory in use. ENERGY: 1904200 719.8952 2105.3627 1919.1290 109.2722 -206569.0582 17965.2153 0.0000 0.0000 34112.8138 -149637.3701 297.9157 -183750.1839 -149546.2521 298.1514 7.1841 37.3622 557592.6077 5.8044 5.6107 LDB: ============= START OF LOAD BALANCING ============== 5689.89 LDB: ============== END OF LOAD BALANCING =============== 5689.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5689.89 LDB: ============= START OF LOAD BALANCING ============== 5690.19 LDB: Largest compute 4773 load 0.025928 is 21.9% of average load 0.118175 LDB: Average compute 0.001735 is 1.5% of average load 0.118175 LDB: TIME 5690.19 LOAD: AVG 0.118175 MAX 0.209852 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.453 MB LDB: TIME 5690.19 LOAD: AVG 0.118175 MAX 0.209852 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.453 MB LDB: TIME 5690.19 LOAD: AVG 0.118175 MAX 0.209852 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.453 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5690.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5690.19 PRESSURE: 1904400 -129.057 103.248 116.329 103.248 -82.6698 -145.548 116.329 -145.548 -233.686 GPRESSURE: 1904400 -125.128 3.34966 83.1163 23.403 -41.9413 -177.597 250.162 -21.8304 -197.842 PRESSAVG: 1904400 91.3367 -25.7767 47.2288 -25.7767 -93.8396 -10.3077 47.2287 -10.3075 52.0348 GPRESSAVG: 1904400 92.1979 -25.2275 47.4844 -27.0946 -94.7981 -13.5654 48.9277 -7.94293 51.4644 TIMING: 1904400 CPU: 5686.94, 0.00304339/step Wall: 5686.94, 0.00304339/step, 2.61698 hours remaining, 207.226562 MB of memory in use. ENERGY: 1904400 797.4066 2036.5394 1931.5693 114.3381 -206078.9464 17528.4157 0.0000 0.0000 33969.1254 -149701.5519 296.6608 -183670.6772 -149607.0730 297.5635 -148.4710 -121.6371 557283.8235 16.5107 16.2881 PRESSURE: 1904600 -0.8395 256.789 -151.215 256.79 -60.6892 -8.54534 -151.214 -8.54372 373.318 GPRESSURE: 1904600 14.1971 221.901 -140.738 243.286 45.0853 10.1488 -74.7327 15.7244 340.793 PRESSAVG: 1904600 -48.7198 -11.288 52.8394 -11.2881 -20.1444 -15.0256 52.8394 -15.0255 60.5058 GPRESSAVG: 1904600 -48.7931 -13.1971 51.8316 -11.5731 -19.8603 -14.9191 52.5142 -15.8326 60.1367 TIMING: 1904600 CPU: 5687.54, 0.00299525/step Wall: 5687.54, 0.00299525/step, 2.57541 hours remaining, 207.226562 MB of memory in use. ENERGY: 1904600 746.2392 2025.6383 1914.6689 100.3326 -206735.2795 18032.4123 0.0000 0.0000 34259.9503 -149656.0379 299.2007 -183915.9882 -149556.7879 297.8742 103.9298 133.3584 556396.3073 -2.7861 -2.8389 PRESSURE: 1904800 189.934 -61.3315 -45.4446 -61.3327 -58.8712 -62.2294 -45.4456 -62.2297 207.31 GPRESSURE: 1904800 192.241 -31.2922 -46.2959 -78.1806 2.02376 -3.33673 41.5905 -70.8035 220.339 PRESSAVG: 1904800 -73.8504 13.8082 8.56337 13.8084 -13.4605 15.6859 8.56335 15.686 89.2165 GPRESSAVG: 1904800 -73.1945 16.3955 8.15436 11.9341 -12.8942 17.407 8.28033 14.5321 87.6716 TIMING: 1904800 CPU: 5688.14, 0.00298406/step Wall: 5688.14, 0.00298406/step, 2.56563 hours remaining, 207.226562 MB of memory in use. ENERGY: 1904800 766.8113 2062.0650 1925.7598 121.0386 -206501.4244 17959.2199 0.0000 0.0000 34134.9745 -149531.5552 298.1092 -183666.5297 -149425.2486 297.9244 112.7907 138.2011 556426.1205 0.6352 0.5276 PRESSURE: 1905000 -177.182 91.5281 228.688 91.5278 -199.263 -97.6527 228.688 -97.6517 19.2522 GPRESSURE: 1905000 -130.832 104.798 181.631 49.2479 -151.237 -92.7063 209.24 -146.852 25.4816 PRESSAVG: 1905000 -6.50046 -2.76713 71.4042 -2.76713 -1.29955 23.0328 71.4042 23.0329 12.6894 GPRESSAVG: 1905000 -6.93205 -3.32387 68.8973 -2.09916 -1.04993 23.4197 73.511 22.4031 12.9661 TIMING: 1905000 CPU: 5688.73, 0.00296701/step Wall: 5688.73, 0.00296701/step, 2.55081 hours remaining, 207.226562 MB of memory in use. ENERGY: 1905000 747.8774 2092.1264 1950.0554 118.9961 -206132.6731 17747.2094 0.0000 0.0000 33975.7102 -149500.6980 296.7183 -183476.4082 -149416.5020 298.2841 -119.0642 -85.5292 558021.9399 1.6298 1.6614 PRESSURE: 1905200 53.5832 -42.7528 -26.7606 -42.753 -11.7179 61.6923 -26.762 61.692 77.776 GPRESSURE: 1905200 43.4354 -98.6663 -31.6371 -31.811 17.6876 57.29 7.19831 63.3246 148.553 PRESSAVG: 1905200 33.6405 -10.2664 65.7459 -10.2665 -60.3384 -14.1266 65.7459 -14.1266 34.8603 GPRESSAVG: 1905200 34.0832 -10.1376 68.6533 -9.86184 -61.5376 -15.465 64.2395 -12.4595 36.3073 TIMING: 1905200 CPU: 5689.32, 0.00294485/step Wall: 5689.32, 0.00294485/step, 2.53159 hours remaining, 207.226562 MB of memory in use. ENERGY: 1905200 736.0538 2105.2267 1926.4908 121.4515 -206300.4917 17929.2957 0.0000 0.0000 34117.7136 -149364.2596 297.9585 -183481.9732 -149271.0678 297.8909 39.8804 69.8919 558036.3681 2.7208 2.9510 PRESSURE: 1905400 297.182 10.4763 19.4438 10.4771 51.6175 39.5748 19.4443 39.5748 -144.532 GPRESSURE: 1905400 261.191 -60.9892 110.659 7.13715 102.443 41.0659 -69.4706 41.0717 -55.5239 PRESSAVG: 1905400 62.245 45.5474 -27.1877 45.5473 -88.1017 5.30275 -27.1878 5.30269 22.8516 GPRESSAVG: 1905400 62.5538 43.0116 -28.0978 46.3768 -87.9719 5.62752 -25.7483 5.06012 22.8967 TIMING: 1905400 CPU: 5689.92, 0.00296969/step Wall: 5689.92, 0.00296969/step, 2.55278 hours remaining, 207.226562 MB of memory in use. ENERGY: 1905400 757.4818 2051.2463 1948.4073 114.0541 -206454.8828 17938.5540 0.0000 0.0000 34377.7415 -149267.3977 300.2294 -183645.1392 -149172.9755 298.1758 68.0892 102.7031 557573.6739 -1.0017 -0.8404 PRESSURE: 1905600 -141.842 -13.9073 -19.553 -13.9065 -26.6879 97.2482 -19.5524 97.2483 -121.827 GPRESSURE: 1905600 -94.5528 4.77274 -22.1906 -60.4878 18.796 112.043 42.865 145.547 -109.43 PRESSAVG: 1905600 26.5688 44.3904 9.54351 44.3904 4.96253 16.6522 9.54349 16.6522 -23.5298 GPRESSAVG: 1905600 27.5996 46.441 10.8372 41.844 5.33758 17.3631 9.09015 17.5655 -24.5152 TIMING: 1905600 CPU: 5690.51, 0.00294682/step Wall: 5690.51, 0.00294682/step, 2.53295 hours remaining, 207.226562 MB of memory in use. ENERGY: 1905600 760.7009 2046.1184 1943.7459 114.7007 -206245.7249 17861.2041 0.0000 0.0000 34261.7591 -149257.4956 299.2165 -183519.2547 -149162.6153 299.4438 -96.7858 -61.7288 557474.9361 2.6672 2.8073 PRESSURE: 1905800 -26.3832 -54.9546 -153.081 -54.9536 -242.919 -41.7698 -153.081 -41.7698 -14.5227 GPRESSURE: 1905800 -42.6158 -42.7464 -75.0667 -42.8915 -169.158 -53.6024 -150.569 -117.364 18.8048 PRESSAVG: 1905800 12.6555 11.3171 6.8711 11.3171 -66.737 20.5162 6.87107 20.5162 38.5204 GPRESSAVG: 1905800 11.3846 10.7138 6.2025 12.2313 -66.3494 19.0931 5.82565 21.221 39.0637 TIMING: 1905800 CPU: 5691.1, 0.00297221/step Wall: 5691.1, 0.00297221/step, 2.55462 hours remaining, 207.226562 MB of memory in use. ENERGY: 1905800 739.4363 2111.4203 1948.1253 106.5324 -206047.5864 17668.4178 0.0000 0.0000 34193.9762 -149279.6782 298.6245 -183473.6544 -149176.8555 299.1720 -94.6084 -64.3232 557906.5552 -5.1870 -5.3003 PRESSURE: 1906000 146.376 253.7 93.6417 253.7 8.73647 108.555 93.6423 108.557 135.727 GPRESSURE: 1906000 182.396 134.146 23.1972 300.714 65.0261 115.305 105.744 56.6511 138.089 PRESSAVG: 1906000 -34.3141 64.222 -21.9952 64.222 0.598811 -16.5552 -21.9952 -16.5553 19.1514 GPRESSAVG: 1906000 -33.9977 64.2475 -21.1294 65.3082 0.672961 -14.0675 -20.6265 -19.3102 18.748 TIMING: 1906000 CPU: 5691.7, 0.00299261/step Wall: 5691.7, 0.00299261/step, 2.57198 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1906000 728.4468 2088.1929 1937.0342 112.0508 -206541.5182 17991.2302 0.0000 0.0000 34376.5109 -149308.0524 300.2186 -183684.5633 -149217.4467 298.6445 96.9465 128.5037 557857.7444 -4.8547 -4.8589 PRESSURE: 1906200 -76.5511 59.0154 6.59893 59.0156 -99.5664 -83.1557 6.59939 -83.1571 84.8232 GPRESSURE: 1906200 -69.1198 169.598 46.1552 -42.7069 -34.5334 -86.1445 0.273223 51.093 93.1329 PRESSAVG: 1906200 -38.5698 -18.9 -6.37694 -18.9 -25.2925 -35.525 -6.37704 -35.5249 83.0643 GPRESSAVG: 1906200 -38.5605 -21.0341 -7.34835 -17.8266 -24.3355 -35.5727 -6.80004 -32.8117 82.8294 TIMING: 1906200 CPU: 5692.3, 0.00300468/step Wall: 5692.3, 0.00300468/step, 2.58219 hours remaining, 207.226562 MB of memory in use. ENERGY: 1906200 735.1489 2071.3877 1948.3057 123.3791 -206092.0087 17799.9508 0.0000 0.0000 34248.7436 -149165.0929 299.1028 -183413.8366 -149074.2862 299.1721 -30.4314 -3.5068 557953.2203 6.4007 6.6445 PRESSURE: 1906400 241.181 123.078 -145.77 123.077 -124.788 105.624 -145.771 105.623 87.2328 GPRESSURE: 1906400 283.598 196.064 -241.173 104.944 -97.9373 164.811 -87.8782 61.0077 110.916 PRESSAVG: 1906400 -19.3946 40.8628 37.5521 40.8628 -40.8468 -0.873899 37.5521 -0.873925 68.6412 GPRESSAVG: 1906400 -19.229 42.6645 39.3802 41.2189 -41.6566 -2.37521 37.0053 -1.0252 69.5331 TIMING: 1906400 CPU: 5692.89, 0.00297072/step Wall: 5692.89, 0.00297072/step, 2.55284 hours remaining, 207.226562 MB of memory in use. ENERGY: 1906400 738.3825 2087.5552 1934.4246 108.9038 -206016.0650 17823.0286 0.0000 0.0000 34003.8304 -149319.9400 296.9639 -183323.7703 -149226.0577 299.3669 67.8753 98.8588 557404.9594 2.7999 2.8825 PRESSURE: 1906600 71.2858 7.9925 73.4251 7.99231 255.071 109.496 73.4249 109.495 -28.7836 GPRESSURE: 1906600 120.577 1.85291 66.2906 29.1231 230.087 115.935 30.9338 135.863 49.3401 PRESSAVG: 1906600 -13.6113 39.6503 16.4965 39.6502 -40.3951 33.7972 16.4965 33.7972 23.0455 GPRESSAVG: 1906600 -13.3667 39.7957 14.8915 38.9655 -41.0234 35.6481 17.3475 32.9224 23.3745 TIMING: 1906600 CPU: 5693.49, 0.0029817/step Wall: 5693.49, 0.0029817/step, 2.56211 hours remaining, 207.226562 MB of memory in use. ENERGY: 1906600 706.1904 2137.5861 1952.3301 100.3922 -206472.6908 18059.7593 0.0000 0.0000 34067.1540 -149449.2786 297.5169 -183516.4326 -149357.5299 298.2759 99.1911 133.3346 558400.3100 -10.3203 -10.3385 PRESSURE: 1906800 9.81638 167.616 170.394 167.617 -116.116 84.948 170.394 84.9478 -263.4 GPRESSURE: 1906800 3.75061 105.207 186.547 162.039 -66.4908 13.3303 153.979 95.9027 -211.495 PRESSAVG: 1906800 -65.9565 20.3973 14.035 20.3973 13.8643 13.1588 14.0349 13.1588 54.7183 GPRESSAVG: 1906800 -65.7892 19.5026 14.9735 19.3137 12.8241 12.2111 14.6696 13.6069 55.5418 TIMING: 1906800 CPU: 5694.08, 0.00297096/step Wall: 5694.08, 0.00297096/step, 2.55272 hours remaining, 207.226562 MB of memory in use. ENERGY: 1906800 773.4262 2145.9035 1927.2794 120.3251 -206571.4934 17821.2988 0.0000 0.0000 34137.7742 -149645.4864 298.1337 -183783.2606 -149540.9168 298.2323 -123.2334 -91.4116 558691.5693 0.8754 0.8589 PRESSURE: 1907000 171.13 36.6969 107.56 36.6961 54.69 13.9386 107.559 13.9384 367.241 GPRESSURE: 1907000 222.866 8.02841 129.533 14.9991 25.8485 -28.7207 97.2554 -1.42153 437.342 PRESSAVG: 1907000 -34.6214 -3.83647 68.5866 -3.83651 -31.388 -2.64222 68.5865 -2.64232 23.0804 GPRESSAVG: 1907000 -34.9272 -4.0883 67.436 -2.97455 -30.9222 -2.66311 65.5296 -3.02812 23.2121 TIMING: 1907000 CPU: 5694.68, 0.00297138/step Wall: 5694.68, 0.00297139/step, 2.55292 hours remaining, 207.226562 MB of memory in use. ENERGY: 1907000 771.1048 2125.4448 1956.8488 114.5473 -206517.5341 18048.9175 0.0000 0.0000 34106.9998 -149393.6710 297.8649 -183500.6708 -149302.3312 297.3765 197.6872 228.6855 556748.2172 -14.3097 -14.2124 PRESSURE: 1907200 -193.228 -26.3877 -16.2292 -26.3883 -148.797 -84.4918 -16.2297 -84.491 13.4301 GPRESSURE: 1907200 -145.854 -22.9767 71.5887 -91.0891 -182.867 -23.2698 3.91146 -197.405 101.055 PRESSAVG: 1907200 22.0403 14.3387 4.61181 14.3387 -79.9475 0.339016 4.61182 0.339097 94.2099 GPRESSAVG: 1907200 22.7787 14.0638 4.47483 14.4013 -79.0257 -0.184561 5.89355 0.0665645 92.9981 TIMING: 1907200 CPU: 5695.28, 0.00300831/step Wall: 5695.28, 0.00300831/step, 2.58447 hours remaining, 207.226562 MB of memory in use. ENERGY: 1907200 759.6217 2125.0634 1921.2024 109.5299 -206168.0626 17696.6104 0.0000 0.0000 34356.6576 -149199.3773 300.0452 -183556.0349 -149104.4749 298.8543 -109.5314 -75.8889 558325.0700 12.1009 12.2504 PRESSURE: 1907400 -79.8444 -3.81938 -139.004 -3.81987 -17.0346 144.102 -139.004 144.101 79.4254 GPRESSURE: 1907400 -12.2212 0.557188 -110.278 -34.7812 17.724 200.777 -167.593 130.07 76.0956 PRESSAVG: 1907400 0.927938 16.0097 -33.0032 16.0096 36.8485 -46.6678 -33.0032 -46.6677 -7.59393 GPRESSAVG: 1907400 0.317378 16.5399 -32.9558 14.6656 37.3642 -47.7028 -33.4132 -45.9563 -7.12787 TIMING: 1907400 CPU: 5695.87, 0.00296124/step Wall: 5695.87, 0.00296124/step, 2.54387 hours remaining, 207.226562 MB of memory in use. ENERGY: 1907400 756.8600 2091.8432 1920.6447 98.8807 -206379.3544 17958.0051 0.0000 0.0000 34315.0579 -149238.0627 299.6819 -183553.1206 -149145.6187 299.0938 -5.8179 27.1994 557532.0097 10.0608 10.1846 PRESSURE: 1907600 -348.677 108.325 -141.751 108.326 -95.6699 118.885 -141.749 118.883 -88.773 GPRESSURE: 1907600 -335.541 69.9987 -114.791 135.958 37.3675 99.073 -175.31 101.297 -137.517 PRESSAVG: 1907600 -40.7946 -37.0702 -47.1299 -37.0702 48.8928 14.5975 -47.1298 14.5974 -22.3455 GPRESSAVG: 1907600 -39.8847 -37.1245 -46.8487 -37.4239 48.4502 15.01 -43.5638 14.28 -22.3321 TIMING: 1907600 CPU: 5696.47, 0.00297207/step Wall: 5696.47, 0.00297207/step, 2.55301 hours remaining, 207.226562 MB of memory in use. ENERGY: 1907600 783.8445 2104.3110 1940.8034 116.5296 -205926.4204 17541.0528 0.0000 0.0000 34190.4886 -149249.3904 298.5940 -183439.8790 -149149.1750 299.1784 -177.7067 -145.2300 557906.4726 -4.7491 -4.5889 PRESSURE: 1907800 -168.357 122.914 77.2688 122.913 -222.593 -56.623 77.2693 -56.6238 -610.797 GPRESSURE: 1907800 -156.734 133.682 122.365 153.553 -198.778 -17.7445 2.66304 -86.7675 -546.004 PRESSAVG: 1907800 29.7948 41.3372 18.6364 41.3371 -55.3874 4.97614 18.6365 4.97612 34.8863 GPRESSAVG: 1907800 30.3255 41.2123 19.2411 40.811 -56.3015 4.74518 13.7618 5.70829 34.9312 TIMING: 1907800 CPU: 5697.07, 0.00299516/step Wall: 5697.07, 0.00299516/step, 2.57268 hours remaining, 207.226562 MB of memory in use. ENERGY: 1907800 780.1742 2063.8441 1928.1112 116.3102 -206089.8110 17421.7101 0.0000 0.0000 34481.6519 -149298.0093 301.1368 -183779.6612 -149199.9877 299.0767 -333.9156 -300.5052 558452.4811 3.0979 2.9850 PRESSURE: 1908000 -193.465 52.8946 14.8654 52.894 -237.836 129.816 14.864 129.816 -151.412 GPRESSURE: 1908000 -208.242 20.5628 -25.3015 41.4901 -134.014 163.81 -30.5711 137.011 -144.024 PRESSAVG: 1908000 -4.18167 28.7857 -54.6837 28.7857 -15.9515 33.1242 -54.6837 33.1242 32.2529 GPRESSAVG: 1908000 -5.66498 28.2117 -57.4773 29.0606 -14.1707 33.4661 -51.2833 33.6336 32.1788 TIMING: 1908000 CPU: 5697.67, 0.00301148/step Wall: 5697.67, 0.00301148/step, 2.58653 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1908000 726.0014 2162.1396 1915.5076 121.8773 -205722.0960 17408.5972 0.0000 0.0000 34220.0595 -149167.9136 298.8523 -183387.9730 -149068.6931 299.6389 -194.2378 -162.0934 558689.8197 4.0399 4.1144 PRESSURE: 1908200 103.175 53.1931 22.4352 53.1932 -319.939 99.6009 22.4352 99.6012 37.5711 GPRESSURE: 1908200 125.058 43.3062 -43.6243 60.4781 -249.561 73.1643 -20.7166 101.14 45.8732 PRESSAVG: 1908200 -36.7124 -22.5558 -48.1673 -22.5558 -66.8628 32.2816 -48.1674 32.2815 100.743 GPRESSAVG: 1908200 -35.3036 -21.2672 -46.1495 -20.2628 -67.3266 32.1535 -49.2486 30.0576 100.491 TIMING: 1908200 CPU: 5698.27, 0.00300499/step Wall: 5698.27, 0.00300499/step, 2.58079 hours remaining, 207.226562 MB of memory in use. ENERGY: 1908200 735.2799 2123.6440 1930.0081 108.2543 -206092.3078 17630.5945 0.0000 0.0000 34475.0936 -149089.4334 301.0796 -183564.5270 -148994.4362 299.3565 -59.7310 -26.2101 557932.0745 -0.9441 -0.7132 LDB: ============= START OF LOAD BALANCING ============== 5701.82 LDB: ============== END OF LOAD BALANCING =============== 5701.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5701.82 LDB: ============= START OF LOAD BALANCING ============== 5702.12 LDB: Largest compute 4773 load 0.027553 is 23.3% of average load 0.118162 LDB: Average compute 0.001732 is 1.5% of average load 0.118162 LDB: TIME 5702.12 LOAD: AVG 0.118162 MAX 0.208535 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.996 MB LDB: TIME 5702.12 LOAD: AVG 0.118162 MAX 0.208535 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: TIME 5702.12 LOAD: AVG 0.118162 MAX 0.208535 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: ============== END OF LOAD BALANCING =============== 5702.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5702.13 PRESSURE: 1908400 188.761 1.5554 85.4502 1.55517 98.6134 134.454 85.4498 134.453 -35.8047 GPRESSURE: 1908400 232.915 -108.957 146.519 -51.9988 138.424 214.6 92.7702 72.2257 -30.3209 PRESSAVG: 1908400 14.4001 -33.7713 -26.5032 -33.7714 -45.3427 36.6667 -26.5033 36.6667 58.5033 GPRESSAVG: 1908400 14.0268 -33.4014 -27.6229 -35.6409 -44.7698 38.8337 -27.3703 36.2155 58.7649 TIMING: 1908400 CPU: 5698.88, 0.00305095/step Wall: 5698.88, 0.00305095/step, 2.62009 hours remaining, 207.027344 MB of memory in use. ENERGY: 1908400 757.1546 2109.7247 1928.2002 113.7109 -206321.3377 17915.5986 0.0000 0.0000 34421.5007 -149075.4479 300.6115 -183496.9487 -148975.8189 299.4051 83.8565 113.6725 557768.0543 9.1869 9.3406 PRESSURE: 1908600 93.8779 -158.201 52.7197 -158.201 -17.1888 133.209 52.7202 133.208 -26.4972 GPRESSURE: 1908600 100.457 -112.338 23.9604 -235.913 20.9978 41.5244 117.149 252.953 18.8673 PRESSAVG: 1908600 5.44677 -17.7691 74.7209 -17.769 18.4826 5.52668 74.721 5.52654 2.5519 GPRESSAVG: 1908600 5.26878 -18.0879 75.4726 -18.1999 17.4519 3.47942 74.6203 8.05321 3.62804 TIMING: 1908600 CPU: 5699.48, 0.0029831/step Wall: 5699.48, 0.0029831/step, 2.56166 hours remaining, 207.226562 MB of memory in use. ENERGY: 1908600 720.3137 2076.1086 1957.8066 120.0634 -206200.3229 17808.5354 0.0000 0.0000 34352.4248 -149165.0704 300.0083 -183517.4952 -149071.4251 299.5375 16.7306 46.7741 557282.9953 8.8271 8.7829 PRESSURE: 1908800 -109.252 154.689 41.0403 154.69 -55.8153 153.949 41.0399 153.948 -94.4422 GPRESSURE: 1908800 -73.5156 89.8702 63.2618 218.214 -8.7771 212.975 -38.449 147.756 -81.2469 PRESSAVG: 1908800 46.3907 19.5047 -14.7681 19.5047 -77.1618 -0.14226 -14.7682 -0.142265 -15.9745 GPRESSAVG: 1908800 46.2996 19.2229 -13.7512 19.5766 -76.0659 0.0785911 -14.4559 -2.13614 -17.709 TIMING: 1908800 CPU: 5700.08, 0.00300094/step Wall: 5700.08, 0.00300094/step, 2.57681 hours remaining, 207.285156 MB of memory in use. ENERGY: 1908800 775.2722 2149.3143 1917.3587 106.4127 -206085.0643 17557.6613 0.0000 0.0000 34540.7329 -149038.3123 301.6528 -183579.0452 -148942.2078 299.4381 -86.5030 -54.5132 557513.4069 -15.5819 -15.8251 PRESSURE: 1909000 -44.9363 -8.12092 -107.806 -8.12086 -283.409 -88.6578 -107.807 -88.6588 -40.7078 GPRESSURE: 1909000 -34.0872 -88.3238 -173.389 28.2761 -224.023 -121.778 -59.0016 -130.306 -19.0607 PRESSAVG: 1909000 -13.9939 -11.8999 25.4519 -11.9 -16.9332 -48.244 25.452 -48.2439 25.7036 GPRESSAVG: 1909000 -13.8834 -11.9069 23.6756 -11.7149 -18.3244 -48.4439 27.1776 -49.113 27.6871 TIMING: 1909000 CPU: 5700.67, 0.00299072/step Wall: 5700.67, 0.00299072/step, 2.56787 hours remaining, 207.285156 MB of memory in use. ENERGY: 1909000 764.7787 2144.5729 1931.1406 109.3262 -206202.8346 17742.7057 0.0000 0.0000 34169.1902 -149341.1204 298.4080 -183510.3105 -149237.9902 299.4556 -123.0179 -92.3902 557716.2935 -1.7411 -1.5069 PRESSURE: 1909200 -24.6921 64.7808 -100.714 64.781 35.1374 1.18041 -100.714 1.17971 -127.536 GPRESSURE: 1909200 -48.017 119.066 -129.519 37.5214 71.5088 -17.0362 -83.51 -84.2896 -48.5375 PRESSAVG: 1909200 20.4147 39.2653 -37.2158 39.2654 0.722104 -44.187 -37.2159 -44.187 -18.825 GPRESSAVG: 1909200 19.2947 39.8506 -37.5568 39.1804 1.38309 -43.1242 -38.8489 -43.8482 -18.8253 TIMING: 1909200 CPU: 5701.28, 0.00300153/step Wall: 5701.28, 0.00300153/step, 2.57698 hours remaining, 207.285156 MB of memory in use. ENERGY: 1909200 766.4597 2127.9332 1920.7754 115.9729 -206383.3124 17818.2546 0.0000 0.0000 34252.6764 -149381.2401 299.1371 -183633.9165 -149280.8250 299.4944 -39.0303 -8.3486 555534.2809 0.7706 0.6175 PRESSURE: 1909400 271.955 145.561 -3.59709 145.56 101.515 -27.3279 -3.59652 -27.327 213.494 GPRESSURE: 1909400 281.743 68.4239 -123.086 240.255 127.129 -44.6658 57.6171 -122.017 270.251 PRESSAVG: 1909400 -10.5339 -19.3058 -7.00459 -19.3058 -16.3782 -7.01176 -7.0046 -7.01166 29.4132 GPRESSAVG: 1909400 -10.6485 -21.737 -7.33487 -17.4789 -15.8225 -8.73183 -7.84635 -8.8134 28.8797 TIMING: 1909400 CPU: 5701.88, 0.0030244/step Wall: 5701.88, 0.0030244/step, 2.59645 hours remaining, 207.285156 MB of memory in use. ENERGY: 1909400 732.1360 2151.1800 1942.5431 129.5784 -206679.0872 18130.1895 0.0000 0.0000 34223.1606 -149370.2995 298.8794 -183593.4601 -149270.2481 299.4622 195.6545 226.3742 554751.9768 0.8337 0.8029 PRESSURE: 1909600 90.1107 59.7886 -198.975 59.7894 95.2984 130.941 -198.974 130.941 49.8461 GPRESSURE: 1909600 110.316 40.4051 -186.844 117.05 110.127 148.635 -163.873 200.333 110.82 PRESSAVG: 1909600 24.0799 -33.7969 27.6937 -33.7968 -29.7404 -4.54195 27.6937 -4.54198 -0.111271 GPRESSAVG: 1909600 24.4059 -31.2819 30.6786 -35.4504 -30.5269 -4.44874 27.5591 -0.757717 0.330059 TIMING: 1909600 CPU: 5702.48, 0.00300457/step Wall: 5702.48, 0.00300457/step, 2.57926 hours remaining, 207.351562 MB of memory in use. ENERGY: 1909600 757.7383 2100.4741 1925.0007 119.3530 -206713.5312 18118.9241 0.0000 0.0000 34332.1539 -149359.8872 299.8312 -183692.0411 -149262.7500 299.2215 78.4184 110.4212 557526.4727 -1.9239 -1.9303 PRESSURE: 1909800 -119.413 -19.0167 -120.085 -19.0167 -133.297 98.0532 -120.086 98.0525 -211.437 GPRESSURE: 1909800 -86.5276 -22.0221 -26.8682 -46.9273 -147.455 100.953 -203.071 99.8924 -127.213 PRESSAVG: 1909800 -36.6342 -68.306 51.9564 -68.306 55.0459 27.4227 51.9563 27.4227 -4.15723 GPRESSAVG: 1909800 -35.716 -70.1114 52.9236 -67.4826 54.4797 28.7177 52.4926 26.4085 -4.6795 TIMING: 1909800 CPU: 5703.07, 0.002963/step Wall: 5703.07, 0.002963/step, 2.54341 hours remaining, 207.351562 MB of memory in use. ENERGY: 1909800 742.1427 2083.3253 1919.2038 132.6822 -206389.0190 17739.5283 0.0000 0.0000 34198.9767 -149573.1600 298.6682 -183772.1367 -149468.2563 298.6146 -154.7157 -120.3984 557350.4167 4.7515 4.6947 PRESSURE: 1910000 59.9369 -88.7284 84.0701 -88.728 -90.9908 -199.084 84.068 -199.084 -262.686 GPRESSURE: 1910000 67.4634 -194.775 42.2812 -76.0774 -35.5651 -220.485 100.552 -133.224 -228.297 PRESSAVG: 1910000 37.2257 -12.6988 5.16148 -12.6988 43.0772 50.1889 5.16137 50.1889 -43.6966 GPRESSAVG: 1910000 36.8822 -9.92739 5.43247 -13.8455 44.5656 50.8485 5.60411 49.8908 -44.6488 TIMING: 1910000 CPU: 5703.67, 0.00300073/step Wall: 5703.67, 0.00300073/step, 2.57562 hours remaining, 207.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1910000 775.2190 2117.3026 1913.0839 114.9770 -206380.2619 17851.7949 0.0000 0.0000 34160.3784 -149447.5060 298.3311 -183607.8844 -149351.1290 298.6376 -97.9132 -65.4662 557771.7081 12.2021 12.2663 PRESSURE: 1910200 -176.549 -70.8941 -10.3808 -70.8937 -219.461 -126.98 -10.3819 -126.98 49.5954 GPRESSURE: 1910200 -129.069 26.6661 -54.2697 -109.816 -184.055 -42.3071 -53.3786 -151.516 69.2189 PRESSAVG: 1910200 31.4329 -23.3008 66.5092 -23.3009 -8.30865 -19.0923 66.5092 -19.0923 0.351702 GPRESSAVG: 1910200 32.3886 -22.3111 63.32 -24.9528 -9.5041 -20.1581 66.6236 -18.0533 0.824788 TIMING: 1910200 CPU: 5704.28, 0.00301874/step Wall: 5704.28, 0.00301874/step, 2.59092 hours remaining, 207.351562 MB of memory in use. ENERGY: 1910200 768.4512 2148.3400 1932.7859 95.3320 -206583.4562 17749.3565 0.0000 0.0000 34307.2488 -149581.9418 299.6137 -183889.1907 -149494.3661 299.2635 -115.4717 -81.3016 557729.2193 7.8253 7.9031 PRESSURE: 1910400 -133.224 -114.694 -97.8145 -114.694 -11.7921 115.053 -97.8137 115.052 -406.388 GPRESSURE: 1910400 -144.817 -121.917 -76.1829 -28.877 -10.4624 155.009 -148.626 29.0972 -295.777 PRESSAVG: 1910400 9.84632 -2.01629 -45.7825 -2.01625 26.7807 11.7266 -45.7826 11.7266 -38.0091 GPRESSAVG: 1910400 9.4403 -4.43308 -44.4762 0.312325 27.5554 11.3104 -45.3642 11.4942 -38.4926 TIMING: 1910400 CPU: 5704.88, 0.00299725/step Wall: 5704.88, 0.00299725/step, 2.5723 hours remaining, 207.351562 MB of memory in use. ENERGY: 1910400 776.0645 2138.7562 1952.6931 109.8265 -206379.6721 17671.0651 0.0000 0.0000 33975.1718 -149756.0950 296.7136 -183731.2668 -149664.6613 298.2073 -183.8015 -150.3521 557887.8447 -0.4607 -0.4990 PRESSURE: 1910600 -76.8725 69.7258 -156.05 69.7262 129.769 -124.928 -156.05 -124.928 -351.294 GPRESSURE: 1910600 3.89943 76.5137 -131.052 41.9569 173.182 -71.1025 -175.291 -154.414 -365.904 PRESSAVG: 1910600 7.63527 -11.9463 -30.303 -11.9463 69.338 -46.4061 -30.303 -46.4061 -24.4442 GPRESSAVG: 1910600 8.09486 -10.403 -30.0235 -13.3915 69.7904 -46.4909 -30.2367 -46.9146 -24.7797 TIMING: 1910600 CPU: 5705.47, 0.00297591/step Wall: 5705.47, 0.00297591/step, 2.55383 hours remaining, 207.351562 MB of memory in use. ENERGY: 1910600 730.4630 2104.8861 1954.5055 103.7529 -206626.6884 17866.6177 0.0000 0.0000 33983.7907 -149882.6725 296.7889 -183866.4632 -149784.7537 298.2464 -99.4660 -62.9410 558349.8139 17.5097 17.7018 PRESSURE: 1910800 37.6362 108.552 23.8417 108.55 170.941 -36.3971 23.841 -36.3965 191.127 GPRESSURE: 1910800 48.3669 17.3372 -4.34817 73.8534 205.866 -82.1 94.8909 -95.1678 243.384 PRESSAVG: 1910800 34.6005 7.02895 -34.8655 7.0288 -23.7479 6.22435 -34.8654 6.22446 11.3837 GPRESSAVG: 1910800 33.5494 4.59798 -35.1799 8.46246 -23.1975 6.0217 -35.3122 7.06375 11.782 TIMING: 1910800 CPU: 5706.07, 0.0029814/step Wall: 5706.07, 0.0029814/step, 2.55838 hours remaining, 207.351562 MB of memory in use. ENERGY: 1910800 747.0773 2113.6934 1948.9415 105.1901 -207168.2047 18113.6231 0.0000 0.0000 34172.1654 -149967.5140 298.4340 -184139.6793 -149871.9830 297.6568 133.2349 165.8723 555197.1132 7.4121 7.3779 PRESSURE: 1911000 -137.535 -0.354468 12.7452 -0.353108 -47.564 152.266 12.7448 152.266 -66.8935 GPRESSURE: 1911000 -126.286 -25.9198 80.4696 -37.6767 26.5073 263.845 2.88393 20.1815 -48.4433 PRESSAVG: 1911000 46.2675 -27.3816 22.1357 -27.3818 58.8291 25.7803 22.1355 25.7802 -98.9139 GPRESSAVG: 1911000 45.5248 -26.1843 22.3779 -29.3807 58.8455 27.5818 21.094 24.3194 -97.9053 TIMING: 1911000 CPU: 5706.66, 0.00297113/step Wall: 5706.66, 0.00297113/step, 2.54939 hours remaining, 207.351562 MB of memory in use. ENERGY: 1911000 767.2391 2045.9986 1925.0467 116.6516 -206637.5050 17838.7539 0.0000 0.0000 34068.2881 -149875.5270 297.5268 -183943.8151 -149782.8252 298.0566 -83.9974 -49.4075 556356.5679 2.0609 2.1550 PRESSURE: 1911200 4.58867 10.6544 0.458589 10.6556 -112.172 60.7201 0.459086 60.7208 -174.223 GPRESSURE: 1911200 -31.4967 -68.7441 -97.4819 -44.3575 -9.97233 30.36 35.8878 61.4986 -143.246 PRESSAVG: 1911200 13.472 -42.7877 -1.15585 -42.7878 -1.00542 8.71438 -1.15575 8.71435 36.0623 GPRESSAVG: 1911200 13.1189 -43.9907 -2.53092 -41.9103 -0.828696 8.19888 -0.240978 9.80845 36.0296 TIMING: 1911200 CPU: 5707.26, 0.00297019/step Wall: 5707.26, 0.00297019/step, 2.54842 hours remaining, 207.351562 MB of memory in use. ENERGY: 1911200 751.6908 2033.7946 1956.9239 90.5982 -206616.3167 17747.5592 0.0000 0.0000 34188.6617 -149847.0882 298.5781 -184035.7499 -149753.0176 297.9986 -93.9354 -61.5717 556297.7814 16.1763 16.1066 PRESSURE: 1911400 165.468 -72.8737 -99.4662 -72.8729 -94.81 -127.492 -99.4655 -127.492 -62.8411 GPRESSURE: 1911400 212.65 -163.493 -113.47 -11.2764 -79.5135 -151.658 -111.538 -52.9997 -18.5799 PRESSAVG: 1911400 -19.2383 -0.776247 -15.2211 -0.77622 43.6625 -56.9049 -15.2211 -56.9049 -53.2806 GPRESSAVG: 1911400 -19.0476 -0.0799373 -13.9714 -1.38939 43.0598 -57.9793 -14.5702 -58.5153 -53.0765 TIMING: 1911400 CPU: 5707.85, 0.00296849/step Wall: 5707.85, 0.00296849/step, 2.5468 hours remaining, 207.351562 MB of memory in use. ENERGY: 1911400 729.4099 2063.6615 1937.4289 104.7901 -206650.1638 17986.0829 0.0000 0.0000 34177.3298 -149651.4608 298.4791 -183828.7905 -149561.5133 297.9165 2.6058 38.1857 555532.1345 -9.6188 -9.6881 PRESSURE: 1911600 81.0035 67.0862 154.587 67.0856 -91.8374 73.4935 154.587 73.4929 -116.776 GPRESSURE: 1911600 68.7308 74.3195 156.391 8.29848 -30.122 -30.9374 155.402 139.787 -78.2126 PRESSAVG: 1911600 57.1725 40.1031 50.9382 40.1031 -6.52259 -14.1855 50.9382 -14.1854 -15.1796 GPRESSAVG: 1911600 57.2997 40.7732 51.5782 40.9726 -6.70281 -12.8984 51.0789 -12.5563 -15.6401 TIMING: 1911600 CPU: 5708.44, 0.00295611/step Wall: 5708.44, 0.00295611/step, 2.53601 hours remaining, 207.351562 MB of memory in use. ENERGY: 1911600 744.1634 2021.8367 1930.7214 116.2263 -206538.4111 17865.1764 0.0000 0.0000 34258.8181 -149601.4690 299.1908 -183860.2870 -149509.7035 298.7802 -42.5367 -13.2012 556454.4654 11.8234 11.6523 PRESSURE: 1911800 -354.305 6.65561 -41.1027 6.65654 -337.553 114.867 -41.1032 114.867 -640.418 GPRESSURE: 1911800 -330.645 -84.8576 -2.61487 29.5337 -312.915 117.78 -38.0169 94.024 -579.489 PRESSAVG: 1911800 -11.1475 -27.7978 34.1629 -27.7978 -3.2201 -21.0206 34.163 -21.0205 -8.45863 GPRESSAVG: 1911800 -10.6816 -28.0987 33.7806 -27.0027 -4.05269 -22.1001 34.9384 -19.4041 -7.73956 TIMING: 1911800 CPU: 5709.04, 0.00299464/step Wall: 5709.04, 0.00299464/step, 2.5689 hours remaining, 207.351562 MB of memory in use. ENERGY: 1911800 806.4603 2060.1294 1980.2077 115.4822 -205895.4415 17399.0312 0.0000 0.0000 33995.2391 -149538.8918 296.8889 -183534.1308 -149447.1280 298.0157 -444.0916 -407.6830 557224.5180 -7.6087 -7.4913 PRESSURE: 1912000 -209.293 -87.9757 -43.5117 -87.9762 13.7504 7.57426 -43.5127 7.5736 -53.8927 GPRESSURE: 1912000 -102.155 -39.6084 -33.3956 -62.5314 4.23946 12.8272 -37.9531 10.2406 -50.7939 PRESSAVG: 1912000 -17.1482 29.0286 22.7937 29.0285 61.7124 -6.48197 22.7937 -6.48202 -19.983 GPRESSAVG: 1912000 -17.984 29.5418 23.5182 27.6125 63.3392 -5.17471 20.6 -8.75371 -20.8174 TIMING: 1912000 CPU: 5709.64, 0.0029759/step Wall: 5709.64, 0.0029759/step, 2.55266 hours remaining, 207.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1912000 775.1399 2151.7024 1943.8717 109.3944 -206652.1898 17907.2841 0.0000 0.0000 34293.8254 -149470.9719 299.4965 -183764.7973 -149376.7703 298.7386 -83.1451 -49.5697 556492.2861 8.1937 8.1793 PRESSURE: 1912200 -193.559 186.53 200.323 186.53 -29.1342 -127.177 200.323 -127.177 113.308 GPRESSURE: 1912200 -142.636 110.855 227.031 225.069 11.6212 -18.3355 91.4889 -64.1959 109.426 PRESSAVG: 1912200 -45.3269 51.1372 18.0764 51.1372 83.5235 -17.5437 18.0764 -17.5436 0.0211496 GPRESSAVG: 1912200 -44.7956 50.3611 17.5553 51.4115 82.6826 -17.4499 20.074 -16.6989 0.915348 TIMING: 1912200 CPU: 5710.23, 0.00298435/step Wall: 5710.23, 0.00298435/step, 2.55974 hours remaining, 207.351562 MB of memory in use. ENERGY: 1912200 770.8636 2082.5274 1930.6789 104.2659 -206018.9659 17610.4674 0.0000 0.0000 34105.8084 -149414.3544 297.8545 -183520.1628 -149322.4028 298.6974 -36.4617 -7.1964 557445.1825 12.7393 12.9341 LDB: ============= START OF LOAD BALANCING ============== 5713.78 LDB: ============== END OF LOAD BALANCING =============== 5713.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5713.79 LDB: ============= START OF LOAD BALANCING ============== 5714.08 LDB: Largest compute 4773 load 0.027375 is 23.2% of average load 0.118191 LDB: Average compute 0.001738 is 1.5% of average load 0.118191 LDB: TIME 5714.08 LOAD: AVG 0.118191 MAX 0.208557 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.777 MB LDB: TIME 5714.08 LOAD: AVG 0.118191 MAX 0.208557 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: TIME 5714.08 LOAD: AVG 0.118191 MAX 0.208557 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: ============== END OF LOAD BALANCING =============== 5714.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5714.09 PRESSURE: 1912400 150.653 -70.6664 48.5409 -70.6684 -390.502 -52.6336 48.5399 -52.6347 187.331 GPRESSURE: 1912400 136.812 -42.4708 39.0666 -87.7617 -321.478 -11.1713 27.3874 -37.2723 216.36 PRESSAVG: 1912400 33.2484 58.4808 56.9413 58.4808 -35.0749 6.39097 56.9413 6.39099 1.6514 GPRESSAVG: 1912400 32.9294 59.1685 56.336 59.1795 -35.1431 5.68606 57.7478 8.57339 1.79232 TIMING: 1912400 CPU: 5710.84, 0.00304201/step Wall: 5710.84, 0.00304201/step, 2.60903 hours remaining, 207.601562 MB of memory in use. ENERGY: 1912400 748.9577 2069.5167 1930.6594 116.3713 -206042.6321 17799.5189 0.0000 0.0000 34106.4099 -149271.1982 297.8598 -183377.6081 -149174.3782 298.9145 -17.5061 10.5647 557318.3036 -0.0584 -0.1405 PRESSURE: 1912600 -147.31 86.2756 66.6081 86.2751 157.269 33.41 66.6092 33.4122 140.793 GPRESSURE: 1912600 -103.938 46.8386 57.7889 88.0534 194.878 -36.0523 17.1409 16.128 151.686 PRESSAVG: 1912600 30.7194 -15.0313 22.6055 -15.0312 -39.3546 19.7187 22.6054 19.7188 11.0062 GPRESSAVG: 1912600 30.9086 -13.6958 23.9579 -17.0199 -37.8635 19.2286 22.4841 19.7169 9.1939 TIMING: 1912600 CPU: 5711.44, 0.0029704/step Wall: 5711.44, 0.0029704/step, 2.54745 hours remaining, 207.859375 MB of memory in use. ENERGY: 1912600 737.5604 2082.1917 1927.8911 117.6974 -205967.8674 17770.1665 0.0000 0.0000 34174.1979 -149158.1625 298.4518 -183332.3604 -149063.5711 299.1902 50.2505 80.8755 557243.4741 0.7903 0.7463 PRESSURE: 1912800 69.0002 172.142 59.1681 172.142 -405.644 -46.2567 59.1685 -46.2569 -18.2721 GPRESSURE: 1912800 109.885 126.808 64.7926 130.359 -340.928 16.1768 63.8406 -52.404 -38.241 PRESSAVG: 1912800 3.53168 23.9309 8.75412 23.9308 -34.4963 -10.1541 8.75417 -10.1541 40.1333 GPRESSAVG: 1912800 4.65501 20.8896 6.93215 25.9887 -36.0321 -8.45296 8.07562 -11.8425 40.6476 TIMING: 1912800 CPU: 5712.02, 0.00294858/step Wall: 5712.02, 0.00294858/step, 2.52857 hours remaining, 207.859375 MB of memory in use. ENERGY: 1912800 723.5740 2079.3608 1931.1839 101.2952 -205869.9564 17451.6977 0.0000 0.0000 34326.2577 -149256.5871 299.7797 -183582.8448 -149162.4052 299.3193 -118.3051 -89.7611 557349.1895 3.0563 3.0902 PRESSURE: 1913000 87.6732 96.3145 62.1114 96.3141 -101.486 -191.743 62.1105 -191.742 -57.2154 GPRESSURE: 1913000 57.6352 36.2436 52.9628 124.453 -4.9338 -225.561 98.118 -130.347 -35.0658 PRESSAVG: 1913000 64.2246 17.8379 19.0932 17.838 -37.1676 4.92164 19.0931 4.92165 0.515251 GPRESSAVG: 1913000 62.9203 20.1028 19.213 17.6337 -36.2639 4.78171 18.4855 5.64573 0.856034 TIMING: 1913000 CPU: 5712.61, 0.00294626/step Wall: 5712.61, 0.00294626/step, 2.52642 hours remaining, 207.859375 MB of memory in use. ENERGY: 1913000 744.5845 2068.1250 1932.8218 101.0319 -206379.2798 17832.6456 0.0000 0.0000 34374.6413 -149325.4297 300.2023 -183700.0710 -149228.3592 298.8611 -23.6761 5.8785 557622.0903 9.1907 9.1708 PRESSURE: 1913200 -270.905 -28.835 -37.714 -28.8355 11.3236 -7.11154 -37.7147 -7.11169 88.173 GPRESSURE: 1913200 -224.957 -20.1993 -5.13666 31.4113 56.7377 -64.7448 -90.514 53.394 100.27 PRESSAVG: 1913200 4.97664 -38.8122 -6.39165 -38.8123 12.9589 -30.4779 -6.39167 -30.4779 -1.9404 GPRESSAVG: 1913200 6.2224 -38.4169 -4.3205 -38.493 11.4229 -32.2063 -7.41601 -28.2658 -2.23668 TIMING: 1913200 CPU: 5713.2, 0.00295218/step Wall: 5713.2, 0.00295218/step, 2.53133 hours remaining, 207.859375 MB of memory in use. ENERGY: 1913200 752.0017 2124.4251 1936.8499 105.5007 -206429.1996 17829.7856 0.0000 0.0000 34430.1494 -149250.4872 300.6871 -183680.6366 -149160.9276 298.2347 -57.1361 -22.6497 556151.0789 5.3317 5.1362 PRESSURE: 1913400 48.1133 -119.542 2.07367 -119.542 97.4897 135.71 2.07239 135.71 -74.9472 GPRESSURE: 1913400 75.8813 -100.481 -35.6127 -117.877 134.101 201.205 2.98317 25.9021 -61.8148 PRESSAVG: 1913400 20.7264 -67.2394 2.03768 -67.2394 17.9037 22.5289 2.03776 22.5288 -28.7147 GPRESSAVG: 1913400 19.8978 -68.1766 1.24561 -67.4937 18.3624 21.8457 1.28671 20.2283 -28.3832 TIMING: 1913400 CPU: 5713.81, 0.00300312/step Wall: 5713.81, 0.00300312/step, 2.57484 hours remaining, 207.859375 MB of memory in use. ENERGY: 1913400 753.0202 2115.9572 1938.5446 114.8867 -206242.1869 17820.8753 0.0000 0.0000 34138.2327 -149360.6702 298.1377 -183498.9029 -149265.8171 298.7349 23.5519 49.3892 557190.9976 3.3051 3.2923 PRESSURE: 1913600 167.061 11.2802 70.812 11.281 144.67 169.181 70.812 169.18 -142.163 GPRESSURE: 1913600 187.041 57.9253 70.8251 -18.3161 229.282 219.376 55.8639 126.983 -130.366 PRESSAVG: 1913600 61.2161 -9.99149 21.2215 -9.99155 -43.748 29.5881 21.2215 29.588 -12.1194 GPRESSAVG: 1913600 61.7508 -10.7422 19.9326 -9.64901 -43.6047 31.51 23.6914 28.3724 -13.0741 TIMING: 1913600 CPU: 5714.41, 0.00300815/step Wall: 5714.41, 0.00300815/step, 2.57899 hours remaining, 207.859375 MB of memory in use. ENERGY: 1913600 739.6413 2094.8077 1953.7254 118.1243 -206058.3333 17880.2158 0.0000 0.0000 34184.8310 -149086.9877 298.5446 -183271.8187 -148993.3010 299.3109 56.5227 95.3191 556436.9079 1.7829 1.6907 PRESSURE: 1913800 -194.172 -219.623 -11.8876 -219.624 -134.882 -5.57662 -11.8865 -5.57638 -377.658 GPRESSURE: 1913800 -146.627 -251.226 -16.4716 -234.651 -120.132 -47.462 -52.4144 37.6696 -343.877 PRESSAVG: 1913800 30.5276 -0.292837 -22.7168 -0.292897 33.3034 39.1549 -22.7167 39.1549 -50.3959 GPRESSAVG: 1913800 29.3166 1.90888 -22.3563 -0.320021 34.4288 37.2968 -24.297 39.5657 -50.3909 TIMING: 1913800 CPU: 5715.01, 0.00299711/step Wall: 5715.01, 0.00299711/step, 2.56935 hours remaining, 207.859375 MB of memory in use. ENERGY: 1913800 763.7728 2122.1123 1929.4593 113.6425 -205569.6498 17301.3858 0.0000 0.0000 34196.2699 -149143.0071 298.6445 -183339.2771 -149047.4312 299.2916 -235.5705 -203.5454 558265.4761 4.4784 4.4515 PRESSURE: 1914000 -142.449 -63.5101 50.2884 -63.5089 -151.833 125.578 50.2892 125.578 -96.0954 GPRESSURE: 1914000 -110.501 -67.0396 23.6349 -147.6 -130.61 204.872 33.9824 69.7405 -45.5471 PRESSAVG: 1914000 -1.88045 -102.012 -43.7844 -102.012 60.7382 -10.6877 -43.7843 -10.6879 -18.9479 GPRESSAVG: 1914000 -1.39876 -101.645 -42.8156 -102.7 59.9554 -9.03644 -43.6241 -9.27947 -18.7196 TIMING: 1914000 CPU: 5715.61, 0.00299479/step Wall: 5715.61, 0.00299479/step, 2.5672 hours remaining, 207.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1914000 792.3578 2060.1188 1952.1983 115.5365 -205976.0603 17649.1614 0.0000 0.0000 34183.0403 -149223.6472 298.5290 -183406.6875 -149130.7241 298.0532 -130.1259 -95.5527 557209.2529 13.3033 13.2790 PRESSURE: 1914200 186.145 94.986 25.5149 94.9862 110.534 -32.8738 25.5146 -32.8732 79.6527 GPRESSURE: 1914200 235.135 17.363 49.5522 141.627 170.112 -43.627 63.6206 -10.653 65.1349 PRESSAVG: 1914200 63.1401 6.76199 -24.7837 6.762 -47.2575 -42.3762 -24.7837 -42.3762 -0.749168 GPRESSAVG: 1914200 63.4741 5.89317 -23.9318 9.77989 -47.2626 -43.2293 -24.8539 -42.425 -0.616807 TIMING: 1914200 CPU: 5716.21, 0.00300207/step Wall: 5716.21, 0.00300207/step, 2.57328 hours remaining, 207.859375 MB of memory in use. ENERGY: 1914200 737.5943 2114.9696 1921.5127 115.0996 -206221.7091 17835.6005 0.0000 0.0000 34105.3672 -149391.5652 297.8507 -183496.9325 -149300.9615 298.9620 125.4441 156.7939 556207.3294 5.0445 5.1983 PRESSURE: 1914400 263.57 -15.8919 179.748 -15.8932 -31.8545 -167.318 179.746 -167.318 235.271 GPRESSURE: 1914400 275.946 -17.7666 93.8123 60.3669 34.2986 -163.907 191.472 -121.768 245.912 PRESSAVG: 1914400 14.3952 20.8131 19.8151 20.8132 -40.2901 -2.94687 19.815 -2.94682 43.9171 GPRESSAVG: 1914400 14.3147 20.0564 17.3132 19.4117 -39.8809 -3.55406 22.9684 -4.37428 44.4027 TIMING: 1914400 CPU: 5716.8, 0.0029852/step Wall: 5716.8, 0.0029852/step, 2.55865 hours remaining, 207.859375 MB of memory in use. ENERGY: 1914400 747.8995 2037.0909 1921.9268 108.7988 -206650.1849 18164.6284 0.0000 0.0000 34091.1338 -149578.7067 297.7264 -183669.8405 -149486.4211 298.6159 155.6619 185.3855 555348.4588 6.0074 6.2788 PRESSURE: 1914600 -285.718 7.98458 -133.593 7.98326 -86.2002 -105.087 -133.594 -105.086 -181.022 GPRESSURE: 1914600 -198.009 40.6388 -92.1937 -6.52555 -96.3197 -224.937 -120.576 -83.6395 -168.115 PRESSAVG: 1914600 -0.562937 12.2111 -7.34453 12.2111 -7.93213 -16.6982 -7.34451 -16.6983 25.3329 GPRESSAVG: 1914600 -1.83371 13.2785 -5.28457 14.6751 -8.27965 -17.1215 -8.68383 -15.8955 26.8727 TIMING: 1914600 CPU: 5717.4, 0.00298502/step Wall: 5717.4, 0.00298502/step, 2.55833 hours remaining, 207.859375 MB of memory in use. ENERGY: 1914600 747.8457 2129.3583 1922.9587 100.0874 -206066.4146 17568.6802 0.0000 0.0000 34106.2923 -149491.1920 297.8587 -183597.4843 -149392.7432 297.7141 -184.3135 -154.1478 557896.0651 5.6126 5.5864 PRESSURE: 1914800 -130.217 18.8252 -26.305 18.8261 134.825 118.799 -26.3051 118.8 -31.818 GPRESSURE: 1914800 -92.9535 7.25049 40.9747 39.0153 168.222 74.1956 -8.00475 171.57 7.61933 PRESSAVG: 1914800 -46.4834 -2.6102 -43.7546 -2.61024 48.0064 0.982827 -43.7547 0.982904 -11.6524 GPRESSAVG: 1914800 -45.7702 -2.75198 -44.457 -3.65044 48.8328 2.93125 -44.8108 1.32845 -13.373 TIMING: 1914800 CPU: 5718, 0.00298064/step Wall: 5718, 0.00298064/step, 2.55441 hours remaining, 207.859375 MB of memory in use. ENERGY: 1914800 757.7550 2058.3144 1928.3102 109.3087 -206382.9794 17861.4754 0.0000 0.0000 34301.3762 -149366.4393 299.5624 -183667.8156 -149264.4918 298.7292 -9.0700 27.6293 557164.4705 -3.3765 -3.4368 PRESSURE: 1915000 -70.3146 190.508 -69.1247 190.51 152.451 121.16 -69.1262 121.158 133.035 GPRESSURE: 1915000 5.73028 163.488 -80.1486 196.735 217.402 162.689 -111.619 48.3399 93.5097 PRESSAVG: 1915000 -43.3639 70.027 -57.6417 70.027 42.242 -12.6062 -57.6416 -12.6062 12.4427 GPRESSAVG: 1915000 -42.053 68.792 -56.9102 71.4042 42.0059 -13.0739 -55.6683 -13.3945 11.8774 TIMING: 1915000 CPU: 5718.59, 0.00296569/step Wall: 5718.59, 0.00296569/step, 2.54143 hours remaining, 207.859375 MB of memory in use. ENERGY: 1915000 750.5900 2052.0741 1921.8720 113.0705 -206155.4347 17896.3498 0.0000 0.0000 34229.0929 -149192.3853 298.9312 -183421.4782 -149093.3159 298.8708 71.7238 105.5475 557541.4211 3.7736 3.9434 PRESSURE: 1915200 -274.761 -50.0097 -44.0118 -50.01 -477.037 -31.4945 -44.0127 -31.4937 -52.0612 GPRESSURE: 1915200 -242.659 -56.9502 40.3493 -2.48369 -389.412 20.6045 -23.9091 -138.005 -62.1229 PRESSAVG: 1915200 6.07798 -52.5975 34.3306 -52.5974 -33.8107 -27.7195 34.3307 -27.7194 62.6293 GPRESSAVG: 1915200 6.53449 -50.931 34.1501 -57.2445 -35.3864 -28.444 32.7721 -28.705 64.2464 TIMING: 1915200 CPU: 5719.18, 0.00296077/step Wall: 5719.18, 0.00296077/step, 2.53705 hours remaining, 207.859375 MB of memory in use. ENERGY: 1915200 756.8964 2056.6844 1906.5434 107.5332 -205584.4236 17397.9464 0.0000 0.0000 34193.9154 -149164.9045 298.6240 -183358.8200 -149060.0253 298.9153 -267.9530 -231.3981 557888.4888 11.6322 11.7982 PRESSURE: 1915400 -70.5346 -208.932 69.1806 -208.933 -45.1646 -45.9649 69.1801 -45.9638 212.096 GPRESSURE: 1915400 -60.1207 -248.526 -30.8275 -173.135 -2.69748 -26.822 120.564 37.7102 251.858 PRESSAVG: 1915400 -27.4699 33.0222 1.11897 33.0223 -24.1801 -20.4084 1.11891 -20.4084 52.4924 GPRESSAVG: 1915400 -29.2018 33.111 1.66599 34.6267 -22.6867 -20.6394 -0.386012 -19.6834 52.1379 TIMING: 1915400 CPU: 5719.77, 0.00295844/step Wall: 5719.77, 0.00295844/step, 2.53489 hours remaining, 207.859375 MB of memory in use. ENERGY: 1915400 737.1074 2092.6055 1929.7083 114.2341 -206186.7272 17893.7253 0.0000 0.0000 34288.7867 -149130.5599 299.4525 -183419.3466 -149035.6399 298.6968 32.1323 63.0132 558039.4069 0.2808 0.0831 PRESSURE: 1915600 -56.9291 34.6957 23.7727 34.6952 -124.553 -33.106 23.773 -33.1064 -58.574 GPRESSURE: 1915600 -13.4715 54.9696 47.1172 91.884 -68.5894 -42.0353 8.69327 6.34198 -61.2948 PRESSAVG: 1915600 69.592 20.3854 -3.01605 20.3854 -16.7058 -23.8209 -3.01608 -23.8209 -7.89663 GPRESSAVG: 1915600 69.0248 18.549 -2.56098 21.4317 -16.5395 -23.3356 -2.34293 -24.4463 -7.37163 TIMING: 1915600 CPU: 5720.36, 0.00295314/step Wall: 5720.36, 0.00295314/step, 2.53018 hours remaining, 207.859375 MB of memory in use. ENERGY: 1915600 763.5888 2068.4433 1930.3359 105.2026 -205941.0332 17592.6518 0.0000 0.0000 34301.5087 -149179.3022 299.5636 -183480.8109 -149078.6975 298.7857 -80.0188 -47.7852 557145.4117 14.9965 15.0379 PRESSURE: 1915800 150.783 102.538 -170.895 102.538 236.283 156.92 -170.896 156.919 -135.85 GPRESSURE: 1915800 136.666 98.2294 -174.568 119.655 264.565 154.358 -187.887 204.856 -66.4047 PRESSAVG: 1915800 -4.09056 51.6952 24.7219 51.6951 -16.9065 39.2089 24.7219 39.209 -27.6336 GPRESSAVG: 1915800 -2.89368 52.7792 22.1263 49.5247 -17.5108 39.9282 26.8524 38.6875 -28.4501 TIMING: 1915800 CPU: 5720.96, 0.00297485/step Wall: 5720.96, 0.00297485/step, 2.54862 hours remaining, 207.859375 MB of memory in use. ENERGY: 1915800 761.1385 2093.0318 1928.9388 127.4898 -206697.7751 18077.0043 0.0000 0.0000 34422.7647 -149287.4071 300.6226 -183710.1719 -149188.0391 299.4332 83.7388 111.6090 556872.7276 -16.2102 -16.2849 PRESSURE: 1916000 88.7204 -10.4456 44.1023 -10.445 -104.28 98.8102 44.1004 98.81 -84.3355 GPRESSURE: 1916000 127.954 -39.4371 151.498 -27.2506 -58.4859 -12.3482 50.058 117.764 -81.8842 PRESSAVG: 1916000 42.4297 32.869 -29.5167 32.8691 14.9356 33.6324 -29.5166 33.6324 -20.4487 GPRESSAVG: 1916000 43.3174 33.3485 -26.7612 32.6073 15.0533 32.7197 -30.5185 36.0897 -20.8316 TIMING: 1916000 CPU: 5721.55, 0.00296997/step Wall: 5721.55, 0.00296997/step, 2.54427 hours remaining, 207.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1916000 702.0742 2068.0130 1949.1837 118.1577 -206208.4336 17627.9930 0.0000 0.0000 34442.7779 -149300.2340 300.7973 -183743.0119 -149202.6893 298.9503 -33.2984 -4.1386 558572.3003 12.3055 12.5130 PRESSURE: 1916200 -19.1406 -68.6138 11.5068 -68.6133 -74.7235 -145.643 11.5061 -145.642 -351.682 GPRESSURE: 1916200 -4.94053 -123.335 -61.4185 -13.7282 -25.163 -211.484 33.2955 -149.357 -318.791 PRESSAVG: 1916200 35.9143 -16.9274 -40.7334 -16.9274 27.1085 28.5496 -40.7334 28.5495 -45.069 GPRESSAVG: 1916200 34.9283 -17.7017 -40.3404 -15.322 27.3261 29.4539 -40.9629 26.5277 -44.2818 TIMING: 1916200 CPU: 5722.14, 0.00293681/step Wall: 5722.14, 0.00293681/step, 2.51571 hours remaining, 207.859375 MB of memory in use. ENERGY: 1916200 739.6948 2008.2156 1886.4586 125.3121 -206205.9603 17814.5143 0.0000 0.0000 34337.5205 -149294.2443 299.8781 -183631.7648 -149196.2250 299.5521 -148.5153 -116.2981 560110.9485 5.9846 5.9908 LDB: ============= START OF LOAD BALANCING ============== 5725.68 LDB: ============== END OF LOAD BALANCING =============== 5725.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5725.69 LDB: ============= START OF LOAD BALANCING ============== 5725.98 LDB: Largest compute 4773 load 0.026308 is 22.3% of average load 0.118070 LDB: Average compute 0.001729 is 1.5% of average load 0.118070 LDB: TIME 5725.99 LOAD: AVG 0.11807 MAX 0.210965 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.348 MB LDB: TIME 5725.99 LOAD: AVG 0.11807 MAX 0.210965 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: TIME 5725.99 LOAD: AVG 0.11807 MAX 0.210965 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5725.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5725.99 PRESSURE: 1916400 -36.8328 69.4232 -40.1867 69.4241 190.61 76.1645 -40.1868 76.1649 -205.148 GPRESSURE: 1916400 43.8335 28.4279 48.4345 120.588 159.474 102.182 -83.0372 62.9734 -164.106 PRESSAVG: 1916400 45.5926 -49.7326 -47.6105 -49.7326 -7.51478 53.9886 -47.6105 53.9886 -88.9693 GPRESSAVG: 1916400 46.9278 -50.3456 -48.8728 -49.4562 -8.66235 54.5374 -46.68 54.4739 -89.5406 TIMING: 1916400 CPU: 5722.74, 0.00302184/step Wall: 5722.74, 0.00302184/step, 2.58837 hours remaining, 207.148438 MB of memory in use. ENERGY: 1916400 730.3375 2039.5456 1903.6402 100.8213 -206267.7734 17924.7015 0.0000 0.0000 34327.9262 -149240.8011 299.7943 -183568.7273 -149148.2468 298.9688 -17.1237 13.0674 557630.6085 -16.9639 -17.0917 PRESSURE: 1916600 85.5379 54.1233 74.7125 54.1232 -84.7511 -77.7766 74.7141 -77.7773 -385.492 GPRESSURE: 1916600 94.9411 140.311 57.5333 130.066 -19.6679 -198.909 76.7727 -92.3501 -358.186 PRESSAVG: 1916600 51.9882 42.7971 60.1379 42.7971 3.1979 64.7269 60.1378 64.7268 -41.7735 GPRESSAVG: 1916600 50.8619 42.1139 61.3089 42.9679 4.47129 63.2431 59.3929 64.9568 -41.7663 TIMING: 1916600 CPU: 5723.34, 0.00296115/step Wall: 5723.34, 0.00296115/step, 2.53622 hours remaining, 207.148438 MB of memory in use. ENERGY: 1916600 741.3151 2060.0953 1896.0139 104.7506 -206355.6851 17958.3174 0.0000 0.0000 34167.6798 -149427.5130 298.3948 -183595.1928 -149332.0147 298.6994 -128.2350 -94.3044 558366.9234 4.4708 4.5223 PRESSURE: 1916800 1.68117 -19.3568 42.6406 -19.3565 -230.755 -58.7016 42.6402 -58.7025 165.637 GPRESSURE: 1916800 42.7785 -34.5685 -6.79959 -3.35705 -177.002 -92.7311 -17.2794 -47.3736 160.599 PRESSAVG: 1916800 -2.43589 58.1968 50.8268 58.197 -21.342 -61.5906 50.8267 -61.5906 15.3926 GPRESSAVG: 1916800 -2.48023 59.3334 48.9573 57.4752 -20.346 -62.8668 50.678 -60.9396 15.0908 TIMING: 1916800 CPU: 5723.93, 0.00295456/step Wall: 5723.93, 0.00295456/step, 2.53041 hours remaining, 207.148438 MB of memory in use. ENERGY: 1916800 755.0786 2060.5058 1905.2091 101.7699 -206046.0199 17858.8079 0.0000 0.0000 34146.0173 -149218.6312 298.2057 -183364.6486 -149115.4113 298.9532 -21.1457 8.7920 557454.0193 -2.7951 -2.5785 PRESSURE: 1917000 207.357 -106.911 -132.976 -106.911 210.049 -111.059 -132.974 -111.06 136.593 GPRESSURE: 1917000 212.641 -48.8917 -49.779 -91.7836 290.209 -227.906 -82.3173 -94.809 144.534 PRESSAVG: 1917000 5.44456 20.8223 -8.89046 20.8223 -22.0498 -42.9168 -8.89037 -42.9168 42.3107 GPRESSAVG: 1917000 5.12487 20.6926 -5.63883 21.6398 -23.2535 -41.002 -8.08791 -44.4001 44.0469 TIMING: 1917000 CPU: 5724.52, 0.00297387/step Wall: 5724.52, 0.00297387/step, 2.54679 hours remaining, 207.148438 MB of memory in use. ENERGY: 1917000 715.9935 2059.6929 1936.4847 115.4146 -206688.3491 18215.2882 0.0000 0.0000 34145.5632 -149499.9121 298.2017 -183645.4753 -149405.4441 298.8747 184.6663 215.7948 556531.1148 8.5685 8.6394 PRESSURE: 1917200 -215.761 178.885 -205.748 178.884 -6.42308 -137.792 -205.748 -137.795 -350.22 GPRESSURE: 1917200 -103.956 242.828 -243.624 102.7 -31.5056 -195.336 -152.139 -142.062 -334.103 PRESSAVG: 1917200 17.7017 34.0871 12.5647 34.0871 45.8183 -25.9732 12.5647 -25.9732 -54.6142 GPRESSAVG: 1917200 18.347 32.9944 12.4303 33.7156 46.3706 -25.9427 11.5384 -24.9896 -55.6291 TIMING: 1917200 CPU: 5725.12, 0.00297297/step Wall: 5725.12, 0.00297297/step, 2.54585 hours remaining, 207.148438 MB of memory in use. ENERGY: 1917200 737.2582 2029.2926 1956.8689 106.2705 -206051.2284 17635.1044 0.0000 0.0000 34011.2707 -149575.1632 297.0289 -183586.4338 -149483.2296 297.9620 -190.8013 -156.5215 558356.8994 2.9686 3.0295 PRESSURE: 1917400 -393.593 -128.598 121.569 -128.598 -172.586 122.84 121.571 122.84 -264.209 GPRESSURE: 1917400 -344.556 -92.769 165.372 -173.983 -136.573 128.323 88.5924 152.564 -251.359 PRESSAVG: 1917400 -0.764324 -20.6884 -2.4576 -20.6884 -17.2497 -1.33306 -2.45749 -1.33302 -10.0629 GPRESSAVG: 1917400 -1.12576 -21.1538 -2.01652 -21.219 -17.3632 -1.91991 -1.94274 -0.858621 -10.1095 TIMING: 1917400 CPU: 5725.71, 0.00295813/step Wall: 5725.71, 0.00295813/step, 2.53298 hours remaining, 207.148438 MB of memory in use. ENERGY: 1917400 723.8751 2091.6527 1921.1486 100.7596 -205892.4712 17530.6778 0.0000 0.0000 34070.9431 -149453.4143 297.5500 -183524.3574 -149361.0001 298.5360 -276.7961 -244.1627 559692.2542 -9.3590 -9.5328 PRESSURE: 1917600 -98.5916 33.8164 -37.471 33.8148 -216.811 -85.6982 -37.4705 -85.6974 -121.932 GPRESSURE: 1917600 -178.722 36.0054 -65.8347 -32.3845 -153.631 -93.7086 28.9835 -158.356 -17.7018 PRESSAVG: 1917600 45.2522 24.7506 -33.4459 24.7505 -35.0458 -23.2962 -33.4459 -23.2962 38.2222 GPRESSAVG: 1917600 45.0178 26.1426 -36.264 25.4757 -35.2898 -23.9068 -34.2875 -24.6462 38.6438 TIMING: 1917600 CPU: 5726.3, 0.00296201/step Wall: 5726.3, 0.00296201/step, 2.53614 hours remaining, 207.148438 MB of memory in use. ENERGY: 1917600 749.5821 2080.8304 1925.4466 114.0170 -206137.3305 17606.0592 0.0000 0.0000 34162.3081 -149499.0871 298.3479 -183661.3952 -149400.6867 298.0379 -145.7781 -116.6850 557571.0645 16.1428 16.1239 PRESSURE: 1917800 -151.971 141.88 106.841 141.88 95.5163 -24.2912 106.841 -24.2906 -20.2144 GPRESSURE: 1917800 -62.1539 76.0728 141.695 125.348 114.289 -134.512 65.5505 -31.2071 -25.0261 PRESSAVG: 1917800 -27.9054 -25.3962 -13.8609 -25.3962 2.26403 -5.38656 -13.8609 -5.38664 -24.4297 GPRESSAVG: 1917800 -27.6793 -26.0645 -11.2818 -26.1345 2.04804 -5.4303 -14.3369 -5.15794 -24.3017 TIMING: 1917800 CPU: 5726.89, 0.0029719/step Wall: 5726.89, 0.0029719/step, 2.54444 hours remaining, 207.148438 MB of memory in use. ENERGY: 1917800 748.1434 2109.2079 1915.4752 112.2597 -206308.6317 17830.2709 0.0000 0.0000 34245.8980 -149347.3766 299.0779 -183593.2746 -149253.5607 298.1698 -25.5562 9.0365 557366.8273 -16.6904 -16.6443 PRESSURE: 1918000 -363.999 38.1276 -42.6079 38.1267 4.73558 -39.0238 -42.6086 -39.0241 -365.574 GPRESSURE: 1918000 -313.731 -26.788 -52.7795 51.2484 38.0532 38.3935 -57.0095 -55.1331 -349.585 PRESSAVG: 1918000 17.1836 -6.32613 29.3688 -6.32606 56.5181 -5.35545 29.3687 -5.35544 -35.9813 GPRESSAVG: 1918000 17.8233 -4.53353 28.5257 -6.73549 56.7965 -3.48923 30.7192 -5.28475 -36.1568 TIMING: 1918000 CPU: 5727.49, 0.00298727/step Wall: 5727.49, 0.00298727/step, 2.55743 hours remaining, 207.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1918000 730.8847 2068.3425 1923.5832 112.0376 -205730.4409 17423.9869 0.0000 0.0000 34255.8711 -149215.7350 299.1650 -183471.6061 -149121.8960 298.9343 -241.6125 -208.4209 559702.6629 12.5735 12.8210 PRESSURE: 1918200 163.244 136.299 65.962 136.299 23.1499 -20.853 65.9637 -20.8522 -216.092 GPRESSURE: 1918200 203.571 148.657 180.441 112.723 5.14997 -59.8478 17.397 -26.3298 -116.229 PRESSAVG: 1918200 7.97301 25.0723 -14.756 25.0723 14.4131 1.51493 -14.756 1.51494 -15.3661 GPRESSAVG: 1918200 7.31495 24.3984 -13.7177 26.3674 14.1258 1.19449 -18.0578 1.08469 -13.8682 TIMING: 1918200 CPU: 5728.09, 0.00297532/step Wall: 5728.09, 0.00297532/step, 2.54704 hours remaining, 207.148438 MB of memory in use. ENERGY: 1918200 717.0543 2089.9295 1926.3151 109.1725 -205791.8954 17613.5115 0.0000 0.0000 34089.2472 -149246.6654 297.7099 -183335.9126 -149140.6089 299.1551 -9.8995 30.8307 556893.7711 2.3400 2.5242 PRESSURE: 1918400 -34.4609 -158.961 89.3433 -158.961 -104.842 188.707 89.3425 188.707 18.8481 GPRESSURE: 1918400 -89.2334 -236.682 -16.2235 -187.255 -41.857 108.634 79.72 262.587 89.8545 PRESSAVG: 1918400 32.2955 -6.24006 -69.323 -6.24002 59.7133 19.7665 -69.3231 19.7666 -60.0105 GPRESSAVG: 1918400 30.9377 -4.47179 -71.3422 -6.96146 59.8658 20.6505 -67.0959 19.2924 -59.176 TIMING: 1918400 CPU: 5728.68, 0.00295543/step Wall: 5728.68, 0.00295543/step, 2.52985 hours remaining, 207.148438 MB of memory in use. ENERGY: 1918400 756.8337 2113.3386 1917.4537 108.1364 -205958.5700 17605.2953 0.0000 0.0000 34227.5818 -149229.9306 298.9180 -183457.5124 -149136.0828 299.5517 -40.1517 -13.7453 557635.3642 10.6661 10.5425 PRESSURE: 1918600 -383.235 -131.107 26.4305 -131.106 -454.255 134.393 26.4316 134.393 -239.984 GPRESSURE: 1918600 -370.435 -154.718 -62.2145 -88.7753 -388.568 37.5542 135.333 185.834 -211.273 PRESSAVG: 1918600 -6.95544 -3.21529 -8.0709 -3.2153 38.0093 -60.0288 -8.07096 -60.0288 -23.0668 GPRESSAVG: 1918600 -4.42004 -3.62146 -9.0731 -2.94339 37.9345 -60.7272 -6.40679 -59.4926 -25.4514 TIMING: 1918600 CPU: 5729.27, 0.00297096/step Wall: 5729.27, 0.00297096/step, 2.54298 hours remaining, 207.148438 MB of memory in use. ENERGY: 1918600 785.1462 2067.8029 1918.5881 121.9588 -205789.4585 17391.4986 0.0000 0.0000 34198.3433 -149306.1206 298.6626 -183504.4640 -149214.5366 299.3313 -359.1580 -323.4254 558076.0806 2.6624 2.6877 PRESSURE: 1918800 97.3834 69.5493 14.5382 69.5502 -158.88 2.488 14.5386 2.48614 -42.0992 GPRESSURE: 1918800 90.2221 38.1136 9.17143 111.169 -152.707 -45.0615 -30.1974 81.6561 61.2836 PRESSAVG: 1918800 39.6511 -24.6916 -51.7835 -24.6916 8.82183 -6.64565 -51.7836 -6.64557 -18.7244 GPRESSAVG: 1918800 39.0227 -25.7265 -48.8428 -22.9548 8.91008 -6.2872 -55.0635 -5.59419 -17.9175 TIMING: 1918800 CPU: 5729.87, 0.00296266/step Wall: 5729.87, 0.00296266/step, 2.53571 hours remaining, 207.148438 MB of memory in use. ENERGY: 1918800 764.0989 2044.0395 1932.4089 113.0566 -206074.1921 17673.3927 0.0000 0.0000 34080.1225 -149467.0729 297.6302 -183547.1954 -149377.5461 298.6537 -34.5320 -0.4005 557185.1855 9.9162 10.0051 PRESSURE: 1919000 286.81 75.1249 9.28549 75.1248 -114.22 30.7281 9.28456 30.7294 100.426 GPRESSURE: 1919000 256.631 111.919 -23.6886 52.2351 -62.6804 28.5078 -58.3695 49.1072 169.677 PRESSAVG: 1919000 45.5 -5.54022 -47.9828 -5.54034 0.245308 22.9151 -47.9828 22.9151 -44.2991 GPRESSAVG: 1919000 43.6853 -4.87914 -46.944 -7.61469 1.72619 20.9098 -48.3994 23.1315 -43.7559 TIMING: 1919000 CPU: 5730.46, 0.00299175/step Wall: 5730.46, 0.00299175/step, 2.56044 hours remaining, 207.148438 MB of memory in use. ENERGY: 1919000 732.2317 2117.5792 1943.0871 113.7883 -206143.9888 17651.0090 0.0000 0.0000 34154.9746 -149431.3188 298.2839 -183586.2934 -149343.8167 298.4199 91.0053 121.2090 555610.8931 0.4821 0.5519 PRESSURE: 1919200 -120.645 -47.0278 83.5292 -47.027 -10.4944 16.5637 83.5291 16.5642 43.7189 GPRESSURE: 1919200 -73.8936 -97.5363 88.9662 -31.8647 43.3265 -38.1321 68.097 42.1594 36.7106 PRESSAVG: 1919200 4.53105 -42.5961 -2.31576 -42.5961 -8.91496 23.3033 -2.31574 23.3033 11.8491 GPRESSAVG: 1919200 7.06337 -44.6868 -2.81067 -39.3756 -9.69823 24.5488 -0.84464 22.0219 10.3324 TIMING: 1919200 CPU: 5731.06, 0.00299197/step Wall: 5731.06, 0.00299197/step, 2.56046 hours remaining, 207.148438 MB of memory in use. ENERGY: 1919200 738.4799 2151.9533 1929.2204 102.7389 -206101.8522 17614.0173 0.0000 0.0000 34159.8406 -149405.6017 298.3264 -183565.4423 -149317.3641 298.5422 -29.1402 2.0478 555823.3262 2.4884 2.5658 PRESSURE: 1919400 -58.4256 -86.3222 93.2091 -86.3228 -494.464 -6.16812 93.2086 -6.16861 25.0142 GPRESSURE: 1919400 -56.1798 -120.327 49.1736 -21.3871 -434.077 -23.4444 162.045 9.6471 47.0675 PRESSAVG: 1919400 -12.3503 -16.3016 -14.2527 -16.3016 -21.6694 -2.9957 -14.2527 -2.99574 25.1145 GPRESSAVG: 1919400 -14.4277 -15.7022 -17.8557 -17.589 -21.6352 -1.9157 -12.7384 -3.28869 26.2961 TIMING: 1919400 CPU: 5731.66, 0.00300636/step Wall: 5731.66, 0.00300636/step, 2.57261 hours remaining, 207.148438 MB of memory in use. ENERGY: 1919400 772.9923 2113.1327 1935.7794 98.3283 -206136.8891 17544.5503 0.0000 0.0000 34460.6589 -149211.4472 300.9535 -183672.1061 -149119.3011 298.6618 -175.9585 -147.7298 556393.1209 -2.9684 -3.2556 PRESSURE: 1919600 -139.976 74.7993 -31.3898 74.7993 -259.694 70.6665 -31.3905 70.6653 77.21 GPRESSURE: 1919600 -146.642 130.915 -102.039 -10.7624 -212.339 15.9984 -48.3721 144.352 134.632 PRESSAVG: 1919600 15.0293 30.8006 0.688286 30.8005 -45.3401 -5.30944 0.688292 -5.30942 46.9703 GPRESSAVG: 1919600 15.4952 31.9556 2.12387 30.4061 -46.1883 -6.55781 1.32947 -2.9168 47.1396 TIMING: 1919600 CPU: 5732.27, 0.00301415/step Wall: 5732.27, 0.00301415/step, 2.57911 hours remaining, 207.148438 MB of memory in use. ENERGY: 1919600 719.6955 2100.1723 1967.7935 117.8620 -206092.6497 17596.5798 0.0000 0.0000 34197.1076 -149393.4390 298.6518 -183590.5466 -149302.5096 299.7218 -107.4869 -74.7831 557665.4194 5.5532 5.4822 PRESSURE: 1919800 -311.046 4.37439 -9.21765 4.37439 -156.247 -138.648 -9.21857 -138.647 109.365 GPRESSURE: 1919800 -273.849 29.6196 -15.3016 -35.4961 -89.2417 -145.182 26.314 -168.239 111.456 PRESSAVG: 1919800 -37.9822 20.1852 -26.8725 20.1851 -14.1682 -72.6225 -26.8725 -72.6226 74.4356 GPRESSAVG: 1919800 -39.5914 20.5151 -25.1141 19.2927 -12.4505 -73.5201 -28.486 -73.5812 74.6389 TIMING: 1919800 CPU: 5732.88, 0.00305561/step Wall: 5732.88, 0.00305561/step, 2.61442 hours remaining, 207.148438 MB of memory in use. ENERGY: 1919800 753.2619 2089.9415 1920.5727 123.2847 -206221.1781 17783.5130 0.0000 0.0000 34232.5539 -149318.0505 298.9614 -183550.6043 -149223.2897 299.2161 -119.3096 -83.8781 557586.0963 7.4284 7.5323 PRESSURE: 1920000 -145.802 -7.12466 73.2517 -7.12517 11.0791 89.7059 73.252 89.7039 94.7031 GPRESSURE: 1920000 -104.994 27.1313 20.9318 -99.0812 57.9846 37.6146 112.98 56.9789 102.871 PRESSAVG: 1920000 -52.8104 -16.6058 -6.15925 -16.6057 -13.4863 -54.4697 -6.1593 -54.4697 82.7609 GPRESSAVG: 1920000 -51.7554 -16.8174 -8.6591 -17.255 -15.0031 -53.5379 -5.60836 -56.8753 82.6795 TIMING: 1920000 CPU: 5733.48, 0.00303276/step Wall: 5733.48, 0.00303276/step, 2.59469 hours remaining, 207.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1920000 752.6994 2063.7173 1947.0799 121.5189 -206051.3179 17730.4262 0.0000 0.0000 34172.9950 -149262.8812 298.4413 -183435.8762 -149168.3053 299.0511 -13.3399 18.6205 558539.3346 5.4881 5.3070 PRESSURE: 1920200 111.692 38.9892 -115.512 38.9884 -240.47 -21.4657 -115.513 -21.4666 -177.065 GPRESSURE: 1920200 140.392 -38.5642 -142.74 88.1276 -182.408 -6.49931 -106.899 0.25317 -165.034 PRESSAVG: 1920200 -13.6319 3.46705 11.2825 3.46702 89.8243 -8.77081 11.2826 -8.7707 -42.1207 GPRESSAVG: 1920200 -13.8626 3.10788 13.4836 5.70427 91.1314 -9.84955 11.6705 -6.60359 -43.7357 TIMING: 1920200 CPU: 5734.09, 0.00304538/step Wall: 5734.09, 0.00304538/step, 2.60532 hours remaining, 207.148438 MB of memory in use. ENERGY: 1920200 739.7544 2044.5728 1956.3019 122.4532 -205829.8539 17675.3903 0.0000 0.0000 34039.2451 -149252.1363 297.2732 -183291.3814 -149163.1855 298.9964 -101.9476 -69.0165 559091.9236 11.3572 11.1777 LDB: ============= START OF LOAD BALANCING ============== 5737.65 LDB: ============== END OF LOAD BALANCING =============== 5737.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5737.65 LDB: ============= START OF LOAD BALANCING ============== 5737.95 LDB: Largest compute 4773 load 0.027561 is 23.3% of average load 0.118136 LDB: Average compute 0.001739 is 1.5% of average load 0.118136 LDB: TIME 5737.95 LOAD: AVG 0.118136 MAX 0.211789 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.406 MB LDB: TIME 5737.95 LOAD: AVG 0.118136 MAX 0.211789 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.406 MB LDB: TIME 5737.95 LOAD: AVG 0.118136 MAX 0.211789 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.406 MB LDB: ============== END OF LOAD BALANCING =============== 5737.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5737.96 PRESSURE: 1920400 127.263 63.0168 282.934 63.0155 -78.3652 -113.334 282.934 -113.334 -117.934 GPRESSURE: 1920400 188.425 78.1802 204.488 116.27 -94.4356 -128.792 337.421 -34.4973 -63.2524 PRESSAVG: 1920400 51.933 71.0111 6.50507 71.0112 -26.7645 -17.0241 6.5051 -17.0241 9.55409 GPRESSAVG: 1920400 52.1651 71.0788 4.40036 67.3348 -28.0759 -16.1559 5.75693 -17.426 10.8956 TIMING: 1920400 CPU: 5734.71, 0.0030925/step Wall: 5734.71, 0.0030925/step, 2.64546 hours remaining, 207.468750 MB of memory in use. ENERGY: 1920400 757.3142 2051.5333 1963.4802 111.1128 -206118.1699 17785.7773 0.0000 0.0000 34199.7926 -149249.1595 298.6753 -183448.9521 -149157.0595 299.2145 -23.0121 10.2456 558106.1833 11.5742 11.6616 PRESSURE: 1920600 -54.008 7.64143 35.5916 7.64124 239.851 -54.0165 35.5924 -54.0176 -171.676 GPRESSURE: 1920600 -31.5612 -21.6536 99.7653 59.3041 299.52 -141.305 -49.8802 -46.6342 -161.03 PRESSAVG: 1920600 45.5525 -19.964 -9.05889 -19.9639 9.79386 -12.6244 -9.05892 -12.6244 -23.0977 GPRESSAVG: 1920600 45.8672 -19.196 -6.12742 -19.6029 10.3155 -12.6706 -9.79923 -13.3281 -23.8755 TIMING: 1920600 CPU: 5735.31, 0.00299752/step Wall: 5735.31, 0.00299752/step, 2.56405 hours remaining, 207.468750 MB of memory in use. ENERGY: 1920600 742.7484 2134.6336 1939.0222 115.5349 -206166.0226 17832.2238 0.0000 0.0000 34192.1795 -149209.6802 298.6088 -183401.8596 -149107.3059 299.3671 4.7225 35.6428 557763.9748 10.7496 10.7691 PRESSURE: 1920800 -293.588 18.6207 28.0575 18.6215 -206.47 -98.9364 28.057 -98.936 -47.9736 GPRESSURE: 1920800 -277.504 -86.3686 21.2785 55.8976 -137.219 -92.7323 -77.3538 -133.667 -22.3897 PRESSAVG: 1920800 25.6996 16.5436 13.7756 16.5436 -18.2906 -37.3614 13.7756 -37.3613 -13.6203 GPRESSAVG: 1920800 25.9136 14.8931 13.2811 19.0888 -17.8061 -38.0594 15.2705 -36.6172 -14.612 TIMING: 1920800 CPU: 5735.91, 0.00298355/step Wall: 5735.91, 0.00298355/step, 2.55193 hours remaining, 207.468750 MB of memory in use. ENERGY: 1920800 781.2975 2095.4934 1947.4724 114.1793 -206001.4592 17630.5624 0.0000 0.0000 34331.9780 -149100.4763 299.8297 -183432.4543 -148997.5888 299.4995 -182.6771 -145.7043 557032.4697 -2.0704 -2.1682 PRESSURE: 1921000 36.4533 17.0363 -17.0236 17.0349 -109.716 5.33464 -17.0239 5.33467 -142.576 GPRESSURE: 1921000 22.4517 16.904 -59.935 -0.772634 -59.2749 39.2774 -73.4034 30.2978 -83.9576 PRESSAVG: 1921000 17.0031 53.108 29.3545 53.108 -32.9877 -15.9603 29.3545 -15.9603 26.3525 GPRESSAVG: 1921000 16.2281 54.4721 27.5188 52.0737 -32.4371 -15.1675 29.2858 -15.2959 26.8304 TIMING: 1921000 CPU: 5736.51, 0.00301022/step Wall: 5736.51, 0.00301022/step, 2.57457 hours remaining, 207.468750 MB of memory in use. ENERGY: 1921000 766.5332 2021.9217 1928.4996 111.6319 -205995.0783 17590.8152 0.0000 0.0000 34592.9839 -148982.6927 302.1091 -183575.6766 -148886.9137 300.0296 -71.9461 -40.2603 556946.3872 3.4560 3.5405 PRESSURE: 1921200 334.31 26.3001 143.183 26.3 261.331 -167.892 143.184 -167.893 -122.031 GPRESSURE: 1921200 291.99 119.621 186.279 -26.8743 336.419 -73.8293 111.087 -143.319 -52.0709 PRESSAVG: 1921200 22.7982 -39.6825 29.9585 -39.6825 -0.693897 -10.7642 29.9585 -10.7641 -33.9487 GPRESSAVG: 1921200 22.663 -40.8248 30.0722 -41.133 -1.95423 -10.5953 30.1967 -11.3124 -32.2618 TIMING: 1921200 CPU: 5737.1, 0.00297402/step Wall: 5737.1, 0.00297402/step, 2.54345 hours remaining, 207.468750 MB of memory in use. ENERGY: 1921200 740.6281 2065.8584 1939.4796 106.2868 -206060.9500 17938.7275 0.0000 0.0000 34376.2923 -148893.6774 300.2167 -183269.9697 -148797.3603 300.1430 157.8700 192.1126 556615.0311 -3.9481 -3.8510 PRESSURE: 1921400 156.937 -68.3575 -17.9302 -68.3578 -14.7805 -33.9947 -17.9301 -33.9968 169.597 GPRESSURE: 1921400 171.408 -44.6184 -54.7119 -47.7276 44.9163 -28.6582 14.6081 48.4179 186.577 PRESSAVG: 1921400 7.68228 -19.5265 21.2111 -19.5264 -32.768 17.9808 21.2111 17.9808 29.6728 GPRESSAVG: 1921400 7.57389 -18.9177 22.4465 -19.1851 -32.2204 17.779 17.9079 18.9408 29.3868 TIMING: 1921400 CPU: 5737.7, 0.00299521/step Wall: 5737.7, 0.00299521/step, 2.5614 hours remaining, 207.468750 MB of memory in use. ENERGY: 1921400 740.4303 2068.4055 1973.6373 115.1902 -205578.7938 17724.6708 0.0000 0.0000 34322.2086 -148634.2511 299.7444 -182956.4596 -148534.7587 300.4804 103.9176 134.3007 556862.9936 1.5290 1.5801 PRESSURE: 1921600 -21.3886 -179.675 -79.8566 -179.675 -198.115 26.5661 -79.8577 26.5668 -198.86 GPRESSURE: 1921600 -4.08844 -215.563 -29.6704 -185.736 -140.481 25.3803 -89.9419 3.8495 -182.499 PRESSAVG: 1921600 48.0707 -29.9584 -28.6284 -29.9584 -46.9168 -8.32483 -28.6284 -8.32496 -11.3357 GPRESSAVG: 1921600 49.6324 -29.8744 -27.8789 -30.3964 -47.4645 -9.74609 -27.1645 -7.48239 -12.478 TIMING: 1921600 CPU: 5738.3, 0.00297511/step Wall: 5738.3, 0.00297511/step, 2.54405 hours remaining, 207.468750 MB of memory in use. ENERGY: 1921600 738.5243 2129.1279 1936.9322 113.5709 -205238.2439 17317.4964 0.0000 0.0000 34403.2456 -148599.3466 300.4521 -183002.5922 -148498.0757 301.1171 -139.4544 -109.0230 557791.3079 -3.3939 -3.4367 PRESSURE: 1921800 82.7817 61.2702 153.372 61.2696 110.1 -17.8253 153.372 -17.8254 198.487 GPRESSURE: 1921800 127.738 58.3272 81.6249 68.1652 204.797 5.31003 178.709 -50.0166 145.996 PRESSAVG: 1921800 15.4767 -32.9652 -14.0646 -32.9653 -55.6239 15.0474 -14.0646 15.0474 32.8221 GPRESSAVG: 1921800 14.9868 -31.4063 -15.1781 -33.0596 -55.5869 16.4331 -12.9856 15.6995 33.0734 TIMING: 1921800 CPU: 5738.89, 0.00297728/step Wall: 5738.89, 0.00297728/step, 2.54574 hours remaining, 207.468750 MB of memory in use. ENERGY: 1921800 771.8958 2070.4727 1935.5917 117.8726 -206147.3258 18199.7739 0.0000 0.0000 34465.2123 -148586.5068 300.9933 -183051.7191 -148495.0353 301.1693 130.4562 159.5102 560156.4139 -2.4417 -2.5089 PRESSURE: 1922000 -64.0801 154.072 -5.60364 154.072 -378.265 -93.623 -5.60355 -93.6237 -138.35 GPRESSURE: 1922000 -40.2965 185.524 13.5407 102.624 -334.171 -53.5707 -7.47376 -87.0845 -111.185 PRESSAVG: 1922000 1.36376 2.35075 -6.81929 2.35066 -38.4561 8.88953 -6.81935 8.88967 63.0191 GPRESSAVG: 1922000 0.730241 -0.614609 -7.27781 4.52248 -37.2119 8.60163 -7.94384 8.40662 62.3084 TIMING: 1922000 CPU: 5739.49, 0.00299016/step Wall: 5739.49, 0.00299016/step, 2.55659 hours remaining, 207.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1922000 748.2964 2112.7312 1960.7121 113.4873 -205750.5119 17674.1147 0.0000 0.0000 34505.6178 -148635.5524 301.3461 -183141.1702 -148547.1681 301.3341 -193.5651 -161.8840 560556.9441 8.6422 8.6089 PRESSURE: 1922200 -296.826 195.276 214.494 195.277 -76.0416 -15.3252 214.495 -15.3239 -142.619 GPRESSURE: 1922200 -235.358 137.755 128.312 225.879 -34.1057 -61.1115 189.889 84.3325 -153.396 PRESSAVG: 1922200 50.1474 36.9845 -25.832 36.9846 -11.3961 -38.4406 -25.8319 -38.4406 4.59083 GPRESSAVG: 1922200 49.2165 36.6496 -27.0854 36.4754 -11.4942 -37.9881 -25.1776 -38.8242 4.66576 TIMING: 1922200 CPU: 5740.09, 0.00298026/step Wall: 5740.09, 0.00298026/step, 2.54796 hours remaining, 207.468750 MB of memory in use. ENERGY: 1922200 700.6021 2123.7628 1935.0165 109.9070 -205502.0160 17490.3402 0.0000 0.0000 34368.3217 -148774.0657 300.1471 -183142.3874 -148678.0644 300.7277 -171.8288 -140.9530 559037.5739 14.4474 14.1293 PRESSURE: 1922400 -111.867 -93.637 -234.125 -93.6362 -232.426 -128.756 -234.125 -128.756 -39.8658 GPRESSURE: 1922400 -96.9271 -95.3127 -231.796 -81.3876 -160.36 -127.964 -286.22 -72.0975 -28.3991 PRESSAVG: 1922400 29.6378 -7.52814 -17.3822 -7.52817 -15.5516 -40.576 -17.3822 -40.5761 -21.5625 GPRESSAVG: 1922400 31.03 -7.37318 -17.0246 -7.18881 -17.6354 -40.076 -16.7472 -42.3565 -20.573 TIMING: 1922400 CPU: 5740.68, 0.00296459/step Wall: 5740.68, 0.00296459/step, 2.5344 hours remaining, 207.468750 MB of memory in use. ENERGY: 1922400 760.8960 2107.0528 1943.5429 118.8352 -205921.4013 17728.1886 0.0000 0.0000 34475.3654 -148787.5204 301.0819 -183262.8858 -148685.4228 300.6029 -128.0527 -95.2287 558506.4174 -2.4921 -2.3928 PRESSURE: 1922600 -40.2807 285.48 -71.1752 285.48 -163.21 24.1147 -71.1743 24.1141 -134.182 GPRESSURE: 1922600 33.9879 209.331 -43.914 281.484 -120.983 8.14203 -47.7076 -19.9572 -157.861 PRESSAVG: 1922600 4.74799 -21.6556 6.36632 -21.6555 3.45693 -28.5007 6.36631 -28.5007 -29.8551 GPRESSAVG: 1922600 4.53022 -19.2666 7.37543 -21.6671 4.15997 -27.998 6.05179 -28.0157 -30.4385 TIMING: 1922600 CPU: 5741.27, 0.00295735/step Wall: 5741.27, 0.00295735/step, 2.52804 hours remaining, 207.468750 MB of memory in use. ENERGY: 1922600 758.8063 2089.6876 1943.3313 130.4636 -205615.2473 17608.5226 0.0000 0.0000 34336.1130 -148748.3229 299.8658 -183084.4359 -148647.8233 300.2283 -112.5577 -81.6188 558978.3324 -7.2167 -7.2495 PRESSURE: 1922800 224.441 158.261 -140.833 158.261 35.2394 -23.6853 -140.833 -23.6857 -255.019 GPRESSURE: 1922800 225.853 73.7857 -117.752 175.246 75.6625 -69.9199 -201.206 14.3621 -200.552 PRESSAVG: 1922800 36.8108 -26.9937 -39.4075 -26.9937 -19.0645 17.8695 -39.4074 17.8695 -54.4809 GPRESSAVG: 1922800 37.3724 -25.9289 -39.9633 -28.4159 -19.6459 13.9518 -40.4057 21.0227 -55.057 TIMING: 1922800 CPU: 5741.87, 0.00300002/step Wall: 5741.87, 0.00300002/step, 2.56435 hours remaining, 207.468750 MB of memory in use. ENERGY: 1922800 751.9244 2101.4403 1902.4144 118.6021 -206058.6047 17849.0624 0.0000 0.0000 34286.2393 -149048.9219 299.4303 -183335.1611 -148947.1690 299.5419 1.5539 33.6543 558900.4940 -12.2449 -12.4435 PRESSURE: 1923000 -165.507 -74.6684 64.0449 -74.6689 84.88 52.6813 64.0454 52.6809 -137.797 GPRESSURE: 1923000 -177.776 -72.6745 143.748 -27.5128 170.25 0.406592 -77.852 34.5243 -111.861 PRESSAVG: 1923000 60.0449 46.1836 14.2285 46.1836 27.0437 4.99683 14.2285 4.99683 -89.4336 GPRESSAVG: 1923000 58.6518 41.9094 13.5936 47.6862 28.0111 6.86375 14.408 1.86968 -89.2249 TIMING: 1923000 CPU: 5742.48, 0.00301317/step Wall: 5742.48, 0.00301317/step, 2.57542 hours remaining, 207.468750 MB of memory in use. ENERGY: 1923000 742.3646 2106.0351 1902.7598 106.8255 -205929.8332 17707.2722 0.0000 0.0000 34429.1986 -148935.3774 300.6788 -183364.5760 -148840.1651 299.5888 -72.8080 -39.7958 557812.1442 -0.7816 -0.8540 PRESSURE: 1923200 134.461 79.8329 167.03 79.8335 128.216 126.297 167.031 126.295 -41.6187 GPRESSURE: 1923200 129.19 68.944 184.652 64.5271 204.167 203.425 178.861 142.409 -11.3597 PRESSAVG: 1923200 38.8749 14.5064 16.2297 14.5064 -19.9888 -10.7395 16.2297 -10.7395 -19.1095 GPRESSAVG: 1923200 40.0957 15.2361 16.7342 14.5339 -20.669 -8.89501 16.1144 -10.0594 -18.9207 TIMING: 1923200 CPU: 5743.07, 0.00298509/step Wall: 5743.07, 0.00298509/step, 2.55125 hours remaining, 207.468750 MB of memory in use. ENERGY: 1923200 723.2373 2108.2933 1895.5064 120.1626 -205794.4185 17749.8452 0.0000 0.0000 34344.3887 -148852.9851 299.9381 -183197.3738 -148752.8220 300.3720 73.6860 107.3325 557354.3381 -0.0745 0.1687 PRESSURE: 1923400 -24.2443 13.3004 57.0122 13.2996 192.191 84.7598 57.0124 84.7602 -203.749 GPRESSURE: 1923400 21.941 8.02092 6.23188 83.9021 191.047 43.637 65.5263 46.8514 -159.991 PRESSAVG: 1923400 -14.0008 29.822 14.1274 29.822 -21.0683 31.4188 14.1275 31.4188 -9.28443 GPRESSAVG: 1923400 -13.1091 29.4776 13.7042 29.9089 -20.8041 29.9461 14.8649 30.8238 -10.2217 TIMING: 1923400 CPU: 5743.68, 0.00301763/step Wall: 5743.68, 0.00301763/step, 2.5789 hours remaining, 207.468750 MB of memory in use. ENERGY: 1923400 709.7383 2129.9246 1920.0039 103.2401 -205630.4834 17588.1034 0.0000 0.0000 34475.0030 -148704.4701 301.0788 -183179.4731 -148612.6039 300.3764 -11.9342 17.6655 559073.4268 -14.7845 -14.7116 PRESSURE: 1923600 -174.033 63.0187 -123.153 63.0175 -225.058 174.816 -123.152 174.814 -183.226 GPRESSURE: 1923600 -127.45 74.9314 -76.4277 45.4581 -199.242 63.7532 -80.6693 201.787 -171.393 PRESSAVG: 1923600 -5.4438 43.9934 15.2266 43.9934 34.4412 -6.43868 15.2266 -6.43867 35.8446 GPRESSAVG: 1923600 -6.59421 46.2028 14.5581 43.8215 34.5596 -6.59576 16.0858 -4.99758 36.2365 TIMING: 1923600 CPU: 5744.29, 0.0030498/step Wall: 5744.29, 0.0030498/step, 2.60623 hours remaining, 207.468750 MB of memory in use. ENERGY: 1923600 698.4842 2129.4656 1919.9095 104.7156 -205451.8233 17216.0259 0.0000 0.0000 34402.6473 -148980.5751 300.4469 -183383.2224 -148879.5763 300.6172 -194.1055 -166.0282 558217.4649 21.6140 21.4006 PRESSURE: 1923800 -16.3611 50.5487 130.297 50.5493 -179.111 -138.95 130.297 -138.951 82.8035 GPRESSURE: 1923800 -24.5412 -32.84 152.409 78.3821 -153.076 -125.721 124.974 -81.2243 156.811 PRESSAVG: 1923800 43.7432 2.49312 -20.5722 2.49302 -123.271 19.3521 -20.5721 19.3521 62.394 GPRESSAVG: 1923800 42.499 0.136689 -18.8854 1.7464 -123.886 19.3298 -21.304 20.0192 63.826 TIMING: 1923800 CPU: 5744.89, 0.00302694/step Wall: 5744.89, 0.00302694/step, 2.58652 hours remaining, 207.468750 MB of memory in use. ENERGY: 1923800 741.4592 2110.9736 1935.1094 118.7096 -206096.1518 17774.7955 0.0000 0.0000 34195.9894 -149219.1151 298.6421 -183415.1045 -149133.1828 299.6293 -37.5562 -6.9355 557442.8579 -5.7114 -5.8536 PRESSURE: 1924000 -130.554 7.11663 -119.23 7.11726 -211.356 -30.0786 -119.23 -30.0781 -125.333 GPRESSURE: 1924000 -40.9393 66.0081 -150.644 -20.6036 -220.078 18.9751 -90.8303 -139.244 -118.204 PRESSAVG: 1924000 44.2083 8.72341 30.4036 8.7234 -77.6274 14.6545 30.4037 14.6546 50.0776 GPRESSAVG: 1924000 45.0196 9.58378 29.5708 9.15787 -77.2048 14.7789 30.7142 13.2616 48.9919 TIMING: 1924000 CPU: 5745.49, 0.00299763/step Wall: 5745.49, 0.00299763/step, 2.56131 hours remaining, 207.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1924000 782.0750 2094.7432 1905.0959 117.6862 -205890.4185 17636.9674 0.0000 0.0000 34298.6983 -149055.1525 299.5391 -183353.8508 -148959.5044 298.9704 -155.7477 -126.4071 557525.2622 5.5528 5.6022 PRESSURE: 1924200 -66.4674 3.97122 -101.692 3.97051 49.184 -236.066 -101.69 -236.066 -210.709 GPRESSURE: 1924200 -27.0999 78.0051 -162.89 5.00556 52.7135 -278.035 -35.1613 -261.536 -161.429 PRESSAVG: 1924200 107.796 31.8989 6.13088 31.8989 -64.6913 -49.1864 6.13095 -49.1864 -37.52 GPRESSAVG: 1924200 107.101 29.2238 5.66789 32.5995 -64.1964 -46.501 5.7502 -51.0013 -37.5391 TIMING: 1924200 CPU: 5746.1, 0.00302358/step Wall: 5746.1, 0.00302358/step, 2.58332 hours remaining, 207.468750 MB of memory in use. ENERGY: 1924200 780.7104 2061.9865 1917.0840 117.8713 -205904.8873 17647.4682 0.0000 0.0000 34190.2181 -149189.5490 298.5917 -183379.7671 -149081.8453 299.5233 -75.9974 -45.2719 557433.2787 1.8614 1.7884 LDB: ============= START OF LOAD BALANCING ============== 5749.65 LDB: ============== END OF LOAD BALANCING =============== 5749.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5749.65 LDB: ============= START OF LOAD BALANCING ============== 5749.95 LDB: Largest compute 4773 load 0.028534 is 24.2% of average load 0.118131 LDB: Average compute 0.001731 is 1.5% of average load 0.118131 LDB: TIME 5749.95 LOAD: AVG 0.118131 MAX 0.210979 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.082 MB LDB: TIME 5749.95 LOAD: AVG 0.118131 MAX 0.210979 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.082 MB LDB: TIME 5749.95 LOAD: AVG 0.118131 MAX 0.210979 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.082 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5749.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5749.96 PRESSURE: 1924400 211.259 -190.116 -41.7235 -190.116 -165.794 -49.1081 -41.7219 -49.1075 -74.4692 GPRESSURE: 1924400 243.117 -161.619 -105.251 -169.406 -111.904 15.1637 -19.4533 -74.2557 -54.9975 PRESSAVG: 1924400 23.7499 -12.1068 -2.32185 -12.1068 -28.5903 -46.293 -2.32177 -46.2929 10.1912 GPRESSAVG: 1924400 24.9825 -11.2874 -2.54259 -11.3749 -28.5146 -50.9671 -0.653608 -43.4316 10.2956 TIMING: 1924400 CPU: 5746.71, 0.00307531/step Wall: 5746.71, 0.00307531/step, 2.62734 hours remaining, 206.570312 MB of memory in use. ENERGY: 1924400 744.1961 2057.1061 1926.1915 115.9495 -205993.8179 17652.1778 0.0000 0.0000 34371.4069 -149126.7899 300.1740 -183498.1968 -149031.1820 299.2072 -9.6681 25.4051 556685.5049 1.7836 2.2545 PRESSURE: 1924600 -117.325 -86.8717 -10.7041 -86.8732 -95.2526 -27.3098 -10.7046 -27.3095 -126.844 GPRESSURE: 1924600 -114.163 -93.7813 -14.8017 -18.4261 -71.5586 30.0624 -26.6957 -56.4474 -46.3264 PRESSAVG: 1924600 -41.0747 -41.6405 13.7793 -41.6404 16.2373 -82.952 13.7793 -82.952 5.70384 GPRESSAVG: 1924600 -41.1938 -41.2236 13.2658 -42.0022 16.3157 -79.9217 13.8135 -84.4013 5.42331 TIMING: 1924600 CPU: 5747.31, 0.00298587/step Wall: 5747.31, 0.00298587/step, 2.55077 hours remaining, 206.570312 MB of memory in use. ENERGY: 1924600 788.4064 2046.0415 1924.6544 97.8679 -205674.5881 17586.3870 0.0000 0.0000 34038.1686 -149193.0623 297.2638 -183231.2309 -149096.7248 299.1132 -113.1403 -77.3494 557876.6335 -6.3779 -6.4849 PRESSURE: 1924800 -152.172 -11.4254 72.9394 -11.4249 -179.181 -31.2299 72.9387 -31.2305 -4.90482 GPRESSURE: 1924800 -195.096 6.47225 35.195 -82.2411 -103.958 -111.854 111.57 -58.8211 67.6611 PRESSAVG: 1924800 47.0476 1.66064 40.4428 1.66056 -38.9609 -49.5027 40.4429 -49.5025 -11.5006 GPRESSAVG: 1924800 46.5306 2.95537 41.1493 1.23124 -39.1297 -51.2943 39.8261 -47.3297 -10.8425 TIMING: 1924800 CPU: 5747.9, 0.00298628/step Wall: 5747.9, 0.00298628/step, 2.55094 hours remaining, 206.570312 MB of memory in use. ENERGY: 1924800 759.0518 2100.5493 1941.3105 107.4854 -205757.0724 17610.0323 0.0000 0.0000 34137.6797 -149100.9634 298.1328 -183238.6431 -149002.7612 298.7186 -112.0862 -77.1311 559122.2974 -1.1380 -1.1472 PRESSURE: 1925000 -30.1659 -151.315 26.4311 -151.315 116.195 -23.7583 26.4308 -23.7585 -106.906 GPRESSURE: 1925000 61.5484 -108.26 19.3253 -200.601 77.4762 67.6639 67.8173 13.4412 -66.8011 PRESSAVG: 1925000 -3.62992 -15.309 35.5363 -15.3091 19.7237 10.4888 35.5364 10.4889 16.2829 GPRESSAVG: 1925000 -2.9796 -14.2514 35.4657 -15.9861 19.1923 12.369 35.1729 9.77615 15.9785 TIMING: 1925000 CPU: 5748.5, 0.00299518/step Wall: 5748.5, 0.00299518/step, 2.55838 hours remaining, 206.570312 MB of memory in use. ENERGY: 1925000 723.7589 2130.4950 1888.8596 120.5393 -206012.1640 17813.8203 0.0000 0.0000 34106.4523 -149228.2385 297.8601 -183334.6908 -149130.7656 298.8923 -6.9589 24.0745 558332.1335 10.7922 10.7304 PRESSURE: 1925200 127.288 -7.24443 66.1719 -7.24527 132.029 -86.4346 66.1717 -86.4337 -32.5954 GPRESSURE: 1925200 104.689 105.876 132.448 -92.7023 203.846 -141.824 72.2634 -24.0777 13.4657 PRESSAVG: 1925200 -2.59041 -4.95833 36.1684 -4.95825 -2.60338 -39.9401 36.1684 -39.9399 12.5298 GPRESSAVG: 1925200 -3.00994 -7.14696 37.1944 -3.38345 -0.689302 -41.001 36.2034 -40.156 10.5556 TIMING: 1925200 CPU: 5749.1, 0.00296275/step Wall: 5749.1, 0.00296275/step, 2.53051 hours remaining, 206.570312 MB of memory in use. ENERGY: 1925200 760.5729 2127.4599 1924.5764 113.8194 -206620.5557 18021.9827 0.0000 0.0000 34263.5848 -149408.5595 299.2324 -183672.1443 -149306.8826 298.5430 75.5737 107.3336 556844.5150 2.4453 2.2854 PRESSURE: 1925400 -2.44556 -244.65 -98.2273 -244.65 118.375 28.0143 -98.2267 28.0142 275.576 GPRESSURE: 1925400 59.5324 -220.431 -53.3384 -214.203 154.472 144.079 -143.52 -6.47471 294.893 PRESSAVG: 1925400 3.39706 -34.4715 8.61393 -34.4715 -4.70339 28.276 8.61389 28.276 -1.00567 GPRESSAVG: 1925400 4.00461 -30.7914 8.97009 -36.1589 -5.8316 30.932 8.77534 26.3999 -0.283889 TIMING: 1925400 CPU: 5749.69, 0.00296121/step Wall: 5749.69, 0.00296121/step, 2.52904 hours remaining, 206.570312 MB of memory in use. ENERGY: 1925400 762.7239 2068.4041 1937.3243 108.7741 -206558.4853 18061.8889 0.0000 0.0000 34144.3576 -149475.0124 298.1912 -183619.3700 -149386.2293 298.3672 130.5019 169.6324 556271.0924 -0.7707 -0.7036 PRESSURE: 1925600 -114.805 70.7201 81.1102 70.7212 118.564 24.7179 81.1104 24.7183 120.974 GPRESSURE: 1925600 -97.5476 109.039 56.4419 36.672 148.311 37.9602 43.1562 29.3355 165.437 PRESSAVG: 1925600 -3.39485 -41.6015 -39.5604 -41.6014 -23.0287 13.7672 -39.5605 13.7672 32.8816 GPRESSAVG: 1925600 -4.20613 -41.2242 -40.205 -42.9808 -21.9801 10.2887 -40.256 14.7252 33.1478 TIMING: 1925600 CPU: 5750.28, 0.00296581/step Wall: 5750.28, 0.00296581/step, 2.5328 hours remaining, 206.570312 MB of memory in use. ENERGY: 1925600 744.2200 2042.7560 1950.7183 121.3233 -206691.4930 17873.3714 0.0000 0.0000 34463.1449 -149495.9591 300.9752 -183959.1040 -149398.2710 298.5271 41.5774 72.0668 556890.9584 2.1527 2.3205 PRESSURE: 1925800 -110.05 -19.5257 -4.2735 -19.5257 15.6772 37.8825 -4.27495 37.8835 -71.8047 GPRESSURE: 1925800 -40.5008 -5.83152 -73.2635 -20.659 -5.14781 36.9537 60.1009 46.0345 -19.4075 PRESSAVG: 1925800 -20.5796 2.08494 4.91833 2.08501 -29.8954 -3.34106 4.91833 -3.34109 39.0734 GPRESSAVG: 1925800 -19.5084 0.0633157 4.17033 6.03589 -31.4033 -0.425253 7.48479 -3.68473 39.7765 TIMING: 1925800 CPU: 5750.87, 0.00294591/step Wall: 5750.87, 0.00294591/step, 2.51565 hours remaining, 206.570312 MB of memory in use. ENERGY: 1925800 738.0712 2115.2252 1968.3363 111.7525 -206431.2991 17878.6381 0.0000 0.0000 34284.5028 -149334.7729 299.4151 -183619.2757 -149239.4966 298.7300 -55.3923 -21.6854 558282.0210 -3.8005 -3.7117 PRESSURE: 1926000 -25.8944 -41.479 -81.5814 -41.4791 -237.433 -99.4828 -81.5811 -99.4842 152.301 GPRESSURE: 1926000 15.3019 -58.1847 -9.06324 -11.7247 -157.219 -68.884 -25.5873 -114.044 133.017 PRESSAVG: 1926000 -52.6089 -51.1158 1.98858 -51.1158 19.5326 -33.1492 1.98852 -33.1492 12.965 GPRESSAVG: 1926000 -53.4859 -52.5184 2.2128 -52.209 21.1084 -33.7932 0.650913 -31.8285 11.9954 TIMING: 1926000 CPU: 5751.46, 0.00293693/step Wall: 5751.46, 0.00293693/step, 2.50781 hours remaining, 206.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1926000 718.7489 2084.1156 1942.6517 112.9575 -206005.2292 17762.2038 0.0000 0.0000 34145.8163 -149238.7355 298.2039 -183384.5517 -149133.1368 299.3836 -37.0090 -2.9666 557991.1104 -6.7038 -6.7940 PRESSURE: 1926200 26.9719 4.01425 111.169 4.01291 -89.2421 113.025 111.171 113.025 -109.946 GPRESSURE: 1926200 83.0079 -72.6248 127.988 13.7329 -108.617 82.99 218.865 73.0851 -62.2304 PRESSAVG: 1926200 -8.4241 8.26279 46.9352 8.2628 18.5039 -10.2358 46.9351 -10.2359 -27.1931 GPRESSAVG: 1926200 -7.20947 9.53628 48.9378 5.70587 17.2346 -12.6545 46.9268 -10.627 -26.8985 TIMING: 1926200 CPU: 5752.05, 0.00295139/step Wall: 5752.05, 0.00295139/step, 2.52 hours remaining, 206.570312 MB of memory in use. ENERGY: 1926200 727.9867 2132.9679 1960.0065 120.3900 -206243.6100 17842.0993 0.0000 0.0000 34178.9138 -149281.2457 298.4930 -183460.1595 -149190.5344 299.2181 -57.4055 -29.2799 557543.9330 -5.7044 -5.6245 PRESSURE: 1926400 -254.124 38.5633 45.6012 38.5626 315.262 -3.76474 45.6008 -3.76605 -33.9432 GPRESSURE: 1926400 -236.107 -12.0122 80.581 -4.32908 364.789 19.9877 67.8458 17.8573 -15.797 PRESSAVG: 1926400 -30.3588 13.7483 50.3141 13.7481 15.2635 25.4808 50.314 25.4809 29.1378 GPRESSAVG: 1926400 -31.8975 14.9356 50.8259 15.9944 16.9207 26.7136 48.945 26.5702 29.318 TIMING: 1926400 CPU: 5752.64, 0.0029494/step Wall: 5752.64, 0.0029494/step, 2.51813 hours remaining, 206.570312 MB of memory in use. ENERGY: 1926400 738.2821 2087.2596 1938.6013 118.5501 -206439.4458 17884.1843 0.0000 0.0000 34273.4304 -149399.1380 299.3184 -183672.5684 -149291.3472 298.9504 9.0650 37.6282 555781.0485 4.6808 4.7804 PRESSURE: 1926600 144.997 46.3902 56.4511 46.3907 -5.03272 -57.1313 56.4527 -57.1307 144.906 GPRESSURE: 1926600 220.231 117.246 101.199 15.2928 45.6625 -51.205 72.8197 -83.8187 125.452 PRESSAVG: 1926600 -44.6034 16.8443 17.3405 16.8443 32.8103 -7.90979 17.3406 -7.90986 21.6231 GPRESSAVG: 1926600 -45.313 17.7843 15.4743 16.2437 33.2317 -8.80385 19.5821 -8.67954 21.8445 TIMING: 1926600 CPU: 5753.23, 0.00296292/step Wall: 5753.23, 0.00296292/step, 2.52951 hours remaining, 206.570312 MB of memory in use. ENERGY: 1926600 776.1757 2162.8881 1927.6658 110.8170 -206410.5066 17890.4789 0.0000 0.0000 34198.6071 -149343.8740 298.6649 -183542.4811 -149244.3765 299.1806 94.9565 130.4483 556247.0505 3.2767 3.2544 PRESSURE: 1926800 -44.3396 183.737 -64.5613 183.738 -149.529 -67.2855 -64.5624 -67.2849 -180.059 GPRESSURE: 1926800 -28.4453 168.421 -40.9442 207.53 -116.846 -83.3517 -89.9665 -36.8118 -123.677 PRESSAVG: 1926800 -31.0322 4.20834 12.7586 4.20833 42.59 -10.7158 12.7587 -10.7159 -32.5828 GPRESSAVG: 1926800 -30.1417 2.32657 13.3851 5.0129 41.7701 -9.53649 10.4916 -11.0987 -32.5131 TIMING: 1926800 CPU: 5753.83, 0.0029953/step Wall: 5753.83, 0.0029953/step, 2.55699 hours remaining, 206.570312 MB of memory in use. ENERGY: 1926800 738.4593 2125.8343 1926.3492 116.5739 -206269.6610 17681.2167 0.0000 0.0000 34266.8077 -149414.4200 299.2606 -183681.2277 -149319.7324 299.0429 -124.6423 -89.6561 557825.0999 -7.0083 -6.9616 PRESSURE: 1927000 2.68176 80.8908 103.063 80.8907 -59.877 4.07018 103.061 4.07031 94.0302 GPRESSURE: 1927000 39.8203 120.906 82.4865 -44.3781 -14.8622 -5.56643 67.2048 39.2541 109.67 PRESSAVG: 1927000 -78.906 3.6595 -17.1088 3.65953 57.046 43.7047 -17.1087 43.7048 -0.994223 GPRESSAVG: 1927000 -78.2932 5.08598 -18.7355 0.801684 55.6384 44.7265 -16.7988 42.165 0.0699334 TIMING: 1927000 CPU: 5754.43, 0.00297714/step Wall: 5754.43, 0.00297714/step, 2.54132 hours remaining, 206.570312 MB of memory in use. ENERGY: 1927000 728.7173 2104.6217 1945.1489 109.5656 -206375.0008 17970.1100 0.0000 0.0000 34214.2437 -149302.5937 298.8015 -183516.8374 -149204.6842 299.2515 12.2783 44.8759 558755.0099 -7.6181 -7.5283 PRESSURE: 1927200 -260.22 104.827 60.4495 104.827 -89.1256 42.3841 60.4493 42.3845 42.8612 GPRESSURE: 1927200 -232.823 129.166 35.6528 62.7759 -71.4298 69.3292 53.4382 -2.25968 112.291 PRESSAVG: 1927200 -6.04179 -8.26654 -32.6565 -8.26661 -7.84376 -34.7282 -32.6564 -34.7282 5.36224 GPRESSAVG: 1927200 -6.82332 -11.3491 -31.4908 -5.44553 -7.23537 -36.899 -30.1846 -32.3782 5.05677 TIMING: 1927200 CPU: 5755.02, 0.00298174/step Wall: 5755.02, 0.00298174/step, 2.54508 hours remaining, 206.570312 MB of memory in use. ENERGY: 1927200 738.8458 2095.8320 1936.2919 106.9797 -206262.4314 17725.3812 0.0000 0.0000 34343.0767 -149316.0240 299.9266 -183659.1007 -149219.8923 299.3847 -102.1615 -63.9872 557372.0194 -2.8411 -3.0006 PRESSURE: 1927400 -3.3133 41.6413 -147.675 41.6416 66.3364 258.848 -147.676 258.85 231.047 GPRESSURE: 1927400 56.8651 8.22316 -210.945 24.8397 67.1949 200.826 -130.283 242.306 264.952 PRESSAVG: 1927400 -90.771 1.74841 -32.8204 1.74831 22.6305 38.4535 -32.8203 38.4536 33.1046 GPRESSAVG: 1927400 -89.6964 2.99633 -32.0916 0.766133 22.8558 38.4705 -34.5601 37.2632 32.1592 TIMING: 1927400 CPU: 5755.62, 0.0029821/step Wall: 5755.62, 0.0029821/step, 2.54523 hours remaining, 206.773438 MB of memory in use. ENERGY: 1927400 784.0342 2086.1438 1904.4944 112.7530 -206352.5299 18067.9863 0.0000 0.0000 34130.5389 -149266.5793 298.0705 -183397.1181 -149171.1823 299.6832 98.0233 129.6706 556955.6261 -11.6786 -11.5605 PRESSURE: 1927600 35.7757 -86.8113 -26.7504 -86.8117 164.526 19.7618 -26.7501 19.7629 -188.557 GPRESSURE: 1927600 63.1133 26.5873 -28.7765 -52.7521 178.828 90.0309 -33.673 -8.22685 -135.334 PRESSAVG: 1927600 -25.0452 15.2116 -59.8941 15.2115 1.99282 13.216 -59.8941 13.216 40.6409 GPRESSAVG: 1927600 -25.9199 17.979 -62.7496 13.6681 2.75729 16.7005 -58.9025 13.0182 40.9171 TIMING: 1927600 CPU: 5756.22, 0.00298523/step Wall: 5756.22, 0.00298523/step, 2.54773 hours remaining, 206.773438 MB of memory in use. ENERGY: 1927600 760.4150 2103.3064 1940.6160 118.0196 -206322.0247 17806.6681 0.0000 0.0000 34446.0124 -149146.9873 300.8256 -183592.9997 -149050.6510 299.6419 3.9150 35.5357 556524.6769 5.8628 5.9182 PRESSURE: 1927800 150.378 86.6762 -18.2799 86.6753 307.638 -13.3261 -18.2808 -13.3273 -3.58201 GPRESSURE: 1927800 190.172 -57.5461 -23.8825 130.048 304.197 -34.8028 31.292 -90.2814 56.2364 PRESSAVG: 1927800 77.3056 -21.2965 17.4983 -21.2964 -7.06889 -23.4716 17.4983 -23.4716 -55.8622 GPRESSAVG: 1927800 77.1674 -22.5514 18.4882 -19.2713 -6.84236 -23.9701 16.09 -23.4524 -56.0557 TIMING: 1927800 CPU: 5756.82, 0.00301662/step Wall: 5756.82, 0.00301662/step, 2.57435 hours remaining, 206.773438 MB of memory in use. ENERGY: 1927800 739.4267 2071.2592 1955.5858 119.7283 -206238.8286 17943.5406 0.0000 0.0000 34287.1948 -149122.0932 299.4386 -183409.2881 -149024.7210 299.8341 151.4782 183.5351 555821.7852 4.7915 4.7564 PRESSURE: 1928000 134.431 144.936 -41.2318 144.937 -47.8554 66.4916 -41.2346 66.4917 -257.267 GPRESSURE: 1928000 161.486 82.6169 -106.023 168.177 -43.631 78.2281 -55.7329 -57.0797 -188.855 PRESSAVG: 1928000 9.88235 -42.7065 -10.994 -42.7066 8.29408 -11.3467 -10.994 -11.3467 -58.4022 GPRESSAVG: 1928000 10.6067 -44.4842 -12.2116 -41.9821 8.05371 -13.7048 -11.5216 -10.3006 -58.8607 TIMING: 1928000 CPU: 5757.42, 0.00300999/step Wall: 5757.42, 0.00300999/step, 2.56852 hours remaining, 206.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1928000 739.7486 2100.6761 1901.0438 106.6651 -206091.9122 17625.6173 0.0000 0.0000 34460.4542 -149157.7071 300.9517 -183618.1613 -149060.6002 300.0955 -56.8969 -23.6666 556662.7311 -13.4086 -13.4001 PRESSURE: 1928200 -154.387 -152.942 7.89776 -152.943 -18.0728 15.0672 7.8975 15.0664 -215.693 GPRESSURE: 1928200 -167.386 -199.276 -17.6849 -182.959 39.7903 3.81814 44.3246 -14.1905 -178.574 PRESSAVG: 1928200 37.9646 43.4377 -27.2741 43.4377 -22.451 -57.133 -27.2741 -57.1332 -26.0016 GPRESSAVG: 1928200 38.1734 43.252 -24.948 42.8288 -22.2869 -54.732 -25.7277 -58.3547 -25.8691 TIMING: 1928200 CPU: 5758.02, 0.00297739/step Wall: 5758.02, 0.00297739/step, 2.54054 hours remaining, 206.773438 MB of memory in use. ENERGY: 1928200 761.5145 2079.2644 1930.1474 110.6040 -206089.9870 17511.0812 0.0000 0.0000 34425.7055 -149271.6700 300.6482 -183697.3755 -149170.6944 300.3283 -129.3844 -102.0564 556024.4164 -3.4960 -3.3275 LDB: ============= START OF LOAD BALANCING ============== 5761.57 LDB: ============== END OF LOAD BALANCING =============== 5761.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5761.57 LDB: ============= START OF LOAD BALANCING ============== 5761.87 LDB: Largest compute 4773 load 0.027558 is 23.3% of average load 0.118215 LDB: Average compute 0.001738 is 1.5% of average load 0.118215 LDB: TIME 5761.87 LOAD: AVG 0.118215 MAX 0.209725 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.082 MB LDB: TIME 5761.87 LOAD: AVG 0.118215 MAX 0.209725 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.082 MB LDB: TIME 5761.87 LOAD: AVG 0.118215 MAX 0.209725 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.082 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5761.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5761.88 PRESSURE: 1928400 -130.734 27.8827 -118.8 27.8835 126.667 -51.9524 -118.799 -51.953 -12.1568 GPRESSURE: 1928400 -88.8092 70.5735 -43.0062 36.8462 149.569 23.2236 -56.6091 -34.5181 20.1266 PRESSAVG: 1928400 -4.37912 -30.1398 19.2927 -30.1398 -46.4588 -70.057 19.2927 -70.0571 33.2421 GPRESSAVG: 1928400 -4.65569 -30.1512 21.0138 -29.3995 -46.78 -72.5537 17.63 -69.6439 33.9506 TIMING: 1928400 CPU: 5758.63, 0.00305612/step Wall: 5758.63, 0.00305612/step, 2.60755 hours remaining, 206.570312 MB of memory in use. ENERGY: 1928400 745.4547 2089.3900 1941.6318 97.7208 -206248.2573 17795.6721 0.0000 0.0000 34337.1460 -149241.2419 299.8748 -183578.3879 -149145.9758 299.0950 -5.4077 26.9621 556188.3108 -5.8653 -5.8284 PRESSURE: 1928600 -483.561 -48.0287 128.472 -48.0288 -24.6445 -45.1168 128.471 -45.1164 -70.7088 GPRESSURE: 1928600 -420.209 -17.6475 103.837 -34.1637 8.33806 -105.398 128.073 -26.9802 -85.7683 PRESSAVG: 1928600 -39.6112 -59.8164 52.3904 -59.8164 31.4418 -47.2613 52.3905 -47.2615 -10.5805 GPRESSAVG: 1928600 -39.98 -58.1837 50.6129 -60.92 33.3013 -48.0068 51.8597 -46.6023 -11.7608 TIMING: 1928600 CPU: 5759.22, 0.00298369/step Wall: 5759.22, 0.00298369/step, 2.54559 hours remaining, 206.570312 MB of memory in use. ENERGY: 1928600 770.8958 2071.4217 1923.5937 127.9036 -205554.6601 17408.6502 0.0000 0.0000 34183.2486 -149068.9466 298.5308 -183252.1951 -148976.6492 299.4917 -192.9713 -165.8796 557724.8951 -6.2499 -6.1465 PRESSURE: 1928800 -258.39 64.3107 4.12613 64.3106 -87.187 42.1622 4.12524 42.1609 -302.076 GPRESSURE: 1928800 -255.527 49.1412 -26.2935 41.6314 -67.2462 10.2866 27.6767 11.0727 -231.823 PRESSAVG: 1928800 -114.849 -45.7164 -1.09791 -45.7164 14.1049 -45.496 -1.09797 -45.4961 87.2048 GPRESSAVG: 1928800 -115.785 -44.8982 -0.554879 -45.2346 13.3539 -46.1249 -0.0731225 -46.375 88.6885 TIMING: 1928800 CPU: 5759.82, 0.00295881/step Wall: 5759.82, 0.00295881/step, 2.52419 hours remaining, 206.570312 MB of memory in use. ENERGY: 1928800 720.2514 2092.8174 1920.9146 121.5399 -205742.5079 17343.4336 0.0000 0.0000 34402.9837 -149140.5672 300.4498 -183543.5509 -149047.8667 299.9546 -215.8843 -184.8651 558123.2739 -4.5132 -4.5808 PRESSURE: 1929000 119.891 -138.132 167.321 -138.131 -154.184 43.6627 167.32 43.6631 140.993 GPRESSURE: 1929000 188.234 -156.701 214.75 -63.3985 -95.994 20.2782 120.074 40.7883 122.109 PRESSAVG: 1929000 -6.14864 21.6758 -67.1226 21.6757 -16.77 28.9687 -67.1226 28.9687 32.7269 GPRESSAVG: 1929000 -6.18553 19.56 -67.3325 21.7319 -16.974 27.9413 -65.871 30.2553 32.6012 TIMING: 1929000 CPU: 5760.41, 0.00297754/step Wall: 5760.41, 0.00297754/step, 2.54 hours remaining, 206.570312 MB of memory in use. ENERGY: 1929000 733.6571 2038.9130 1950.8235 109.1535 -206221.2417 17781.8334 0.0000 0.0000 34379.0842 -149227.7770 300.2411 -183606.8612 -149130.3763 299.6118 35.5668 71.4498 558131.7550 3.2694 3.1472 PRESSURE: 1929200 160.827 -188.103 -50.7951 -188.104 -15.219 -0.533387 -50.7947 -0.531812 123.421 GPRESSURE: 1929200 207.977 -197.765 -18.24 -219.847 11.1047 -5.01278 -153.489 -30.3438 147.087 PRESSAVG: 1929200 -60.9275 9.89146 -54.1274 9.8914 27.0138 5.35517 -54.1274 5.35507 73.0408 GPRESSAVG: 1929200 -60.2545 12.244 -56.6684 7.0442 27.8622 7.59867 -53.7585 4.53736 71.7757 TIMING: 1929200 CPU: 5761.01, 0.00300947/step Wall: 5761.01, 0.00300947/step, 2.56707 hours remaining, 206.570312 MB of memory in use. ENERGY: 1929200 764.8488 2083.8484 1923.0953 107.1599 -206265.1753 17868.1624 0.0000 0.0000 34387.5296 -149130.5310 300.3148 -183518.0605 -149035.4719 299.7196 89.6766 122.0561 557304.9698 13.0423 13.1278 PRESSURE: 1929400 -151.852 -48.2124 24.8091 -48.2114 208.711 -91.8652 24.8082 -91.866 193.776 GPRESSURE: 1929400 -103.932 -103.127 21.8245 26.2193 202.033 -85.2068 34.3237 -157.442 245.165 PRESSAVG: 1929400 -15.1403 -24.4383 5.79861 -24.4382 31.147 0.125976 5.7986 0.125934 15.4808 GPRESSAVG: 1929400 -14.9201 -27.4536 5.46275 -21.0155 29.8743 -1.5872 6.3661 1.626 16.5191 TIMING: 1929400 CPU: 5761.62, 0.00302621/step Wall: 5761.62, 0.00302621/step, 2.58119 hours remaining, 206.570312 MB of memory in use. ENERGY: 1929400 727.2275 2103.0290 1955.0160 100.4828 -206152.5069 17853.0326 0.0000 0.0000 34242.9099 -149170.8091 299.0518 -183413.7190 -149075.0844 300.5166 83.5450 114.4220 557183.6752 10.4959 10.4911 PRESSURE: 1929600 -73.4192 -82.0988 -53.7941 -82.0986 -104.817 -64.8006 -53.7944 -64.8012 -169.801 GPRESSURE: 1929600 -24.2205 -5.99886 -47.9273 -71.3922 -73.3435 -66.9128 21.9503 -71.2221 -150.49 PRESSAVG: 1929600 -17.622 -20.572 24.1031 -20.572 5.75962 -19.4995 24.103 -19.4996 -8.91724 GPRESSAVG: 1929600 -18.5368 -18.7825 26.309 -21.7621 6.41596 -17.8142 22.0979 -22.0009 -9.28599 TIMING: 1929600 CPU: 5762.22, 0.00302586/step Wall: 5762.22, 0.00302586/step, 2.58072 hours remaining, 206.570312 MB of memory in use. ENERGY: 1929600 765.0081 2148.2950 1910.2939 115.4325 -205889.4279 17653.1810 0.0000 0.0000 34421.1808 -148876.0366 300.6087 -183297.2174 -148783.6478 300.6222 -116.0122 -82.6848 559141.5860 -6.9266 -7.1356 PRESSURE: 1929800 -299.56 19.3478 -107.486 19.3467 -48.8602 29.2929 -107.485 29.2932 -25.9303 GPRESSURE: 1929800 -231.026 -57.2911 -92.4368 15.8408 -66.0337 62.3998 -72.9881 -66.1255 34.8901 PRESSAVG: 1929800 -30.4044 -17.0618 35.4684 -17.0618 -33.5357 -3.41589 35.4683 -3.4159 44.0899 GPRESSAVG: 1929800 -30.711 -16.3215 33.3431 -16.203 -34.4933 -4.48241 35.7734 -0.871316 45.0381 TIMING: 1929800 CPU: 5762.82, 0.00297323/step Wall: 5762.82, 0.00297323/step, 2.53567 hours remaining, 206.570312 MB of memory in use. ENERGY: 1929800 714.2808 2090.0010 1904.0050 117.9634 -205810.1340 17464.3247 0.0000 0.0000 34524.7785 -148994.7806 301.5135 -183519.5591 -148896.9836 299.8952 -124.7834 -87.3897 559372.4018 -6.6168 -6.7221 PRESSURE: 1930000 6.27707 -43.5729 -162.782 -43.5741 -201.909 -43.8774 -162.782 -43.8769 115.747 GPRESSURE: 1930000 3.43382 3.27339 -180.688 -77.5202 -107.706 -28.5868 -67.367 -18.9753 129.446 PRESSAVG: 1930000 0.720092 -31.4297 37.6049 -31.4298 9.07327 -4.29788 37.605 -4.29785 3.35695 GPRESSAVG: 1930000 1.54904 -30.9568 38.0171 -32.1359 10.7877 -3.75175 39.2906 -4.70358 0.382093 TIMING: 1930000 CPU: 5763.41, 0.00297908/step Wall: 5763.41, 0.00297908/step, 2.54049 hours remaining, 206.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1930000 740.4171 2079.9063 1913.9485 119.0244 -206348.9514 17836.6701 0.0000 0.0000 34402.5685 -149256.4164 300.4462 -183658.9850 -149157.7129 299.9479 -26.6283 8.3911 558024.3033 4.3834 4.2396 PRESSURE: 1930200 29.9372 -71.5554 119.386 -71.5551 -96.8181 -163.86 119.386 -163.86 -108.437 GPRESSURE: 1930200 104.857 -113.907 81.4279 -35.8567 -59.6247 -106.811 164.332 -183.101 -127.019 PRESSAVG: 1930200 17.0687 -16.0119 75.186 -16.012 -27.5405 -28.0159 75.186 -28.0159 6.20503 GPRESSAVG: 1930200 17.1638 -19.2617 76.205 -15.384 -29.2198 -28.6073 74.7764 -28.9455 7.27051 TIMING: 1930200 CPU: 5764.02, 0.00301226/step Wall: 5764.02, 0.00301226/step, 2.56862 hours remaining, 206.570312 MB of memory in use. ENERGY: 1930200 749.6363 2117.8834 1910.6996 109.6373 -206224.0360 17774.6699 0.0000 0.0000 34287.1808 -149274.3288 299.4385 -183561.5096 -149174.5140 299.3565 -58.4394 -27.2620 557986.6637 -1.4223 -1.5952 PRESSURE: 1930400 -74.7652 -67.5743 42.8912 -67.5751 -89.9518 -170.336 42.8912 -170.335 -315.687 GPRESSURE: 1930400 -26.4603 -71.0641 5.89859 39.9952 -59.0673 -161.334 12.5814 -171.522 -292.997 PRESSAVG: 1930400 10.4362 -53.4332 -2.75407 -53.4331 38.9378 -29.6385 -2.75398 -29.6384 -62.9139 GPRESSAVG: 1930400 9.61073 -48.5037 -4.11466 -56.1575 39.8155 -29.6425 -2.26537 -27.1132 -62.846 TIMING: 1930400 CPU: 5764.62, 0.00304216/step Wall: 5764.62, 0.00304216/step, 2.59395 hours remaining, 206.570312 MB of memory in use. ENERGY: 1930400 752.9476 2090.1461 1905.4859 116.1169 -206159.8781 17835.5600 0.0000 0.0000 34228.2897 -149231.3319 298.9242 -183459.6215 -149130.8910 299.2481 -160.1348 -126.1749 559011.5901 -4.5133 -4.4733 PRESSURE: 1930600 -397.767 -72.0477 17.3621 -72.0485 -268.276 -57.936 17.3636 -57.9358 -127.56 GPRESSURE: 1930600 -327.713 -163.363 -82.6494 48.4187 -248.996 -74.691 -11.249 -41.5564 -107.533 PRESSAVG: 1930600 0.715172 2.02314 -29.0762 2.02316 -2.53184 -63.0133 -29.0762 -63.0133 -24.5159 GPRESSAVG: 1930600 1.42995 -0.367994 -29.7598 3.87591 -3.23021 -63.2956 -28.9943 -65.4687 -24.2204 TIMING: 1930600 CPU: 5765.23, 0.00302073/step Wall: 5765.23, 0.00302073/step, 2.57551 hours remaining, 206.570312 MB of memory in use. ENERGY: 1930600 733.9079 2049.5458 1944.4723 119.2401 -205835.2763 17377.2705 0.0000 0.0000 34399.8906 -149210.9491 300.4228 -183610.8397 -149112.1599 300.2461 -264.5343 -228.0806 558684.5517 -8.7775 -8.6735 PRESSURE: 1930800 -419.17 -49.302 -35.1469 -49.3018 -257.293 0.345043 -35.1458 0.345625 69.8771 GPRESSURE: 1930800 -291.86 -37.2713 44.7121 -83.4994 -264.767 -65.9245 -26.1026 119.404 49.0226 PRESSAVG: 1930800 -14.6512 13.2226 46.4007 13.2227 -28.0712 8.25657 46.4007 8.2565 9.68581 GPRESSAVG: 1930800 -16.1946 12.6352 48.8676 13.531 -27.076 8.71058 44.7541 9.07983 9.55219 TIMING: 1930800 CPU: 5765.83, 0.00299742/step Wall: 5765.83, 0.00299742/step, 2.55547 hours remaining, 206.570312 MB of memory in use. ENERGY: 1930800 707.0734 2082.1961 1936.7083 122.2638 -205856.0936 17451.8047 0.0000 0.0000 34257.6054 -149298.4419 299.1802 -183556.0473 -149208.1736 299.6178 -202.1952 -169.2013 559099.7095 -11.0122 -11.2395 PRESSURE: 1931000 -100.371 164.64 52.61 164.641 -186.177 74.5993 52.6101 74.6002 254.58 GPRESSURE: 1931000 -2.72666 150.82 54.6088 199.641 -170.571 95.3533 111.839 36.0825 244.234 PRESSAVG: 1931000 -49.4201 -46.0301 17.3905 -46.0301 4.57179 27.1332 17.3904 27.1333 28.6157 GPRESSAVG: 1931000 -48.2514 -46.1709 16.2293 -44.9303 4.06954 30.5345 19.8801 24.4278 27.7378 TIMING: 1931000 CPU: 5766.42, 0.00297645/step Wall: 5766.42, 0.00297645/step, 2.53743 hours remaining, 206.769531 MB of memory in use. ENERGY: 1931000 714.7423 2072.9668 1941.3552 111.0260 -206138.4751 17796.3373 0.0000 0.0000 34309.2892 -149192.7582 299.6316 -183502.0474 -149100.2887 300.0442 -10.6560 23.6455 558806.1407 -5.4109 -5.4813 PRESSURE: 1931200 -4.13996 176.893 100.915 176.895 110.882 -28.5797 100.914 -28.5805 -15.9774 GPRESSURE: 1931200 20.5458 158.814 49.6367 188.851 90.6734 -45.0621 185.288 -61.4752 73.905 PRESSAVG: 1931200 -46.2073 -33.2363 -10.4563 -33.2363 19.2959 2.64771 -10.4563 2.64765 33.0067 GPRESSAVG: 1931200 -46.9973 -34.1501 -9.79055 -33.4583 19.5318 1.10257 -12.8745 5.76438 33.1772 TIMING: 1931200 CPU: 5767.02, 0.00296774/step Wall: 5767.02, 0.00296774/step, 2.52984 hours remaining, 206.769531 MB of memory in use. ENERGY: 1931200 724.9499 2115.8470 1904.7464 108.8162 -206217.1462 17897.8602 0.0000 0.0000 34248.6583 -149216.2682 299.1021 -183464.9265 -149122.0181 299.7637 30.2549 61.7081 558224.9898 2.0318 1.9039 PRESSURE: 1931400 100.996 55.2666 72.6727 55.2664 117.701 -78.855 72.6727 -78.8556 32.382 GPRESSURE: 1931400 137.454 39.6256 127.609 121.913 177.237 -83.3918 -69.0938 -33.1491 27.2118 PRESSAVG: 1931400 -85.5935 68.7974 19.8862 68.7975 12.0737 -18.5945 19.8862 -18.5946 66.9864 GPRESSAVG: 1931400 -84.1198 68.7986 21.8281 70.1289 11.6182 -20.0752 18.2174 -18.2175 66.5172 TIMING: 1931400 CPU: 5767.61, 0.00298159/step Wall: 5767.61, 0.00298159/step, 2.54147 hours remaining, 206.769531 MB of memory in use. ENERGY: 1931400 739.6251 2102.7617 1929.1236 114.1579 -206334.4113 18091.1923 0.0000 0.0000 34140.0360 -149217.5147 298.1534 -183357.5507 -149118.9214 299.5185 83.6930 113.9673 557461.3160 -2.1778 -1.9948 PRESSURE: 1931600 -222.518 -34.1673 -53.8673 -34.1665 168.735 -64.9993 -53.8678 -64.9996 256.797 GPRESSURE: 1931600 -166.699 -26.3521 -46.2297 4.63391 193.009 -64.6113 -65.7644 -32.9467 271.894 PRESSAVG: 1931600 21.025 -12.5037 -43.3799 -12.5035 -29.2962 22.41 -43.3798 22.4101 24.7079 GPRESSAVG: 1931600 18.9688 -12.8983 -44.892 -15.2563 -27.4396 22.0299 -40.7162 22.4909 25.0977 TIMING: 1931600 CPU: 5768.21, 0.00298981/step Wall: 5768.21, 0.00298981/step, 2.54832 hours remaining, 206.769531 MB of memory in use. ENERGY: 1931600 722.3058 2081.6814 1927.2447 101.4441 -206114.2724 17905.4570 0.0000 0.0000 34240.0567 -149136.0827 299.0269 -183376.1394 -149035.8415 298.7752 67.6716 99.4014 559464.8304 5.4789 5.5423 PRESSURE: 1931800 -24.7686 48.5692 -58.5739 48.5691 58.9576 0.422895 -58.5746 0.423866 -163.521 GPRESSURE: 1931800 18.939 -14.7804 -98.8523 112.382 106.378 75.3353 22.6014 -151.892 -153.91 PRESSAVG: 1931800 -74.6333 -19.8701 -39.515 -19.8702 14.993 -3.62711 -39.515 -3.6271 18.532 GPRESSAVG: 1931800 -73.3638 -18.1982 -41.3243 -19.3909 13.4317 -2.04999 -38.624 -5.91704 18.1331 TIMING: 1931800 CPU: 5768.8, 0.00294579/step Wall: 5768.8, 0.00294579/step, 2.51063 hours remaining, 206.769531 MB of memory in use. ENERGY: 1931800 692.4531 2064.0338 1946.6128 102.3792 -205994.7856 17712.3156 0.0000 0.0000 34300.2348 -149176.7562 299.5525 -183476.9910 -149076.4738 299.8981 -43.1105 -9.5311 559025.9661 -13.7028 -13.9330 PRESSURE: 1932000 6.38931 16.07 115.365 16.0705 -209.499 271.569 115.366 271.567 158.367 GPRESSURE: 1932000 -5.00319 22.3182 85.6072 109.507 -168.511 237.204 121.698 298.828 212.096 PRESSAVG: 1932000 -16.885 -15.337 -19.6274 -15.337 29.1033 54.9205 -19.6274 54.9205 -19.5521 GPRESSAVG: 1932000 -17.598 -15.6454 -18.3156 -15.2904 29.523 53.7085 -21.567 55.0132 -19.322 TIMING: 1932000 CPU: 5769.39, 0.00294863/step Wall: 5769.39, 0.00294863/step, 2.51289 hours remaining, 206.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1932000 760.4295 2026.4036 1922.7655 110.5936 -206403.1987 18072.9647 0.0000 0.0000 34252.7944 -149257.2475 299.1382 -183510.0419 -149171.4341 299.4157 -14.9142 12.8608 558101.5986 -2.4446 -2.4657 PRESSURE: 1932200 -145.536 -0.258081 -7.53831 -0.258082 -105.496 41.1057 -7.53715 41.1065 200.015 GPRESSURE: 1932200 -140.117 100.854 76.4806 -115.845 -64.3986 -36.6302 -101.234 66.4068 254.572 PRESSAVG: 1932200 21.0296 39.0349 -6.90009 39.0348 -28.4933 -68.1222 -6.90007 -68.1222 20.6512 GPRESSAVG: 1932200 21.7522 39.6927 -8.12719 36.8678 -29.4921 -68.4541 -6.95342 -66.9445 21.1061 TIMING: 1932200 CPU: 5769.98, 0.00297162/step Wall: 5769.98, 0.00297162/step, 2.53231 hours remaining, 206.769531 MB of memory in use. ENERGY: 1932200 747.8948 2149.2339 1936.7317 113.8119 -205911.9410 17665.4257 0.0000 0.0000 34207.6809 -149091.1622 298.7442 -183298.8431 -148996.7769 299.5737 -17.0058 16.6853 556758.7457 4.3958 4.4554 LDB: ============= START OF LOAD BALANCING ============== 5773.53 LDB: ============== END OF LOAD BALANCING =============== 5773.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5773.54 LDB: ============= START OF LOAD BALANCING ============== 5773.83 LDB: Largest compute 4773 load 0.028422 is 24.0% of average load 0.118188 LDB: Average compute 0.001736 is 1.5% of average load 0.118188 LDB: TIME 5773.84 LOAD: AVG 0.118188 MAX 0.206893 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.57 MB LDB: TIME 5773.84 LOAD: AVG 0.118188 MAX 0.206893 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: TIME 5773.84 LOAD: AVG 0.118188 MAX 0.206893 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5773.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5773.84 PRESSURE: 1932400 -59.9665 -16.9868 52.4474 -16.9866 -51.6878 35.6552 52.4468 35.6578 15.5582 GPRESSURE: 1932400 -7.30433 -99.6905 53.8436 -84.5523 -59.2038 29.5437 41.6598 62.0022 71.7475 PRESSAVG: 1932400 -5.67141 -0.200476 45.5544 -0.200527 -76.5725 -22.306 45.5544 -22.306 42.2239 GPRESSAVG: 1932400 -5.11852 -2.04092 47.0219 2.17854 -75.4406 -21.3673 45.4026 -23.8403 40.539 TIMING: 1932400 CPU: 5770.59, 0.00303977/step Wall: 5770.59, 0.00303977/step, 2.59022 hours remaining, 207.082031 MB of memory in use. ENERGY: 1932400 764.0388 2088.2009 1951.3013 112.9139 -205954.6163 17682.8490 0.0000 0.0000 34319.9123 -149035.3999 299.7243 -183355.3122 -148937.2234 299.2997 -32.0321 1.7465 557129.5791 -13.3400 -13.3400 PRESSURE: 1932600 -256.388 20.6933 -8.46695 20.6934 68.8315 -3.14182 -8.46563 -3.14135 231.45 GPRESSURE: 1932600 -192.616 -19.1171 1.19286 75.8806 126.283 15.6857 44.2828 47.8748 220.396 PRESSAVG: 1932600 -35.401 35.2955 -28.0257 35.2954 -13.0886 -29.2756 -28.0257 -29.2756 47.1639 GPRESSAVG: 1932600 -37.1915 36.4946 -30.8869 34.2804 -12.221 -30.3834 -26.5035 -26.2717 47.8902 TIMING: 1932600 CPU: 5771.19, 0.0029901/step Wall: 5771.19, 0.0029901/step, 2.54773 hours remaining, 207.285156 MB of memory in use. ENERGY: 1932600 729.8052 2082.1943 1913.0259 112.0273 -206061.3867 17747.4476 0.0000 0.0000 34390.6780 -149086.2084 300.3423 -183476.8864 -148991.7505 299.3352 14.6310 51.3542 557225.8484 -0.4419 -0.5074 PRESSURE: 1932800 9.80255 -103.378 -147.563 -103.377 -348.336 -20.0843 -147.563 -20.084 -87.5096 GPRESSURE: 1932800 32.8445 -173.951 -114.6 -91.9771 -331.018 -1.20965 -118.444 -5.66403 -27.1857 PRESSAVG: 1932800 22.2764 -46.3484 -19.125 -46.3484 -50.8427 -17.0906 -19.125 -17.0906 71.4518 GPRESSAVG: 1932800 22.1155 -45.8742 -18.8748 -45.6456 -51.7675 -17.3837 -18.1 -19.4632 72.5648 TIMING: 1932800 CPU: 5771.8, 0.00302246/step Wall: 5771.8, 0.00302246/step, 2.57514 hours remaining, 207.285156 MB of memory in use. ENERGY: 1932800 740.3263 2080.1767 1928.6663 105.3695 -205895.3508 17559.4863 0.0000 0.0000 34325.3424 -149155.9834 299.7718 -183481.3257 -149055.3787 299.8061 -142.0144 -108.4530 558395.6340 14.2951 14.3043 PRESSURE: 1933000 60.1283 9.98935 -141.402 9.98932 137.532 125.337 -141.402 125.336 99.2705 GPRESSURE: 1933000 85.5977 -73.0644 -165.065 63.6714 138.997 45.0313 -164.208 107.845 164.361 PRESSAVG: 1933000 26.2559 -62.9482 -86.2594 -62.9482 -56.5573 -57.1601 -86.2594 -57.1602 52.7902 GPRESSAVG: 1933000 27.9313 -64.0431 -84.3944 -63.5762 -57.5728 -56.4771 -88.279 -55.3768 51.9809 TIMING: 1933000 CPU: 5772.39, 0.00298658/step Wall: 5772.39, 0.00298658/step, 2.5444 hours remaining, 207.285156 MB of memory in use. ENERGY: 1933000 730.2468 2010.7198 1962.9509 127.6891 -206314.6198 17917.7908 0.0000 0.0000 34464.1237 -149101.0987 300.9838 -183565.2224 -149001.7433 300.0017 98.9768 129.6519 558005.9793 7.4963 7.4464 PRESSURE: 1933200 -86.6256 -76.038 -14.4009 -76.0394 -40.9392 -91.2789 -14.4007 -91.279 -163.701 GPRESSURE: 1933200 -27.384 -130.284 -88.5676 -24.5128 -16.6433 -42.3705 14.1889 -49.9007 -151.169 PRESSAVG: 1933200 -11.0507 -27.0157 -49.1467 -27.0158 27.883 -61.0718 -49.1466 -61.0718 -26.0009 GPRESSAVG: 1933200 -10.7211 -27.5785 -48.1494 -25.1863 29.663 -62.5009 -50.9274 -60.5012 -28.3593 TIMING: 1933200 CPU: 5772.99, 0.00299044/step Wall: 5772.99, 0.00299044/step, 2.54752 hours remaining, 207.285156 MB of memory in use. ENERGY: 1933200 718.9957 2136.4219 1945.4870 110.2847 -205684.1672 17516.8987 0.0000 0.0000 34138.9838 -149117.0954 298.1442 -183256.0792 -149019.0354 300.1103 -97.0887 -65.0653 559857.5627 -3.0562 -3.1391 PRESSURE: 1933400 -92.6651 -164.644 -6.91925 -164.645 -3.14287 33.4648 -6.91798 33.4645 46.7255 GPRESSURE: 1933400 -77.9818 -245.156 -24.2006 -107.368 46.6821 -19.7173 75.4022 85.5823 70.9386 PRESSAVG: 1933400 -49.9516 -97.0797 0.0775928 -97.0798 -5.9696 -55.0328 0.0776325 -55.0328 30.8102 GPRESSAVG: 1933400 -50.7431 -97.5496 0.267421 -98.9523 -6.7325 -53.6478 2.54358 -57.3518 31.7143 TIMING: 1933400 CPU: 5773.59, 0.00300072/step Wall: 5773.59, 0.00300072/step, 2.55611 hours remaining, 207.285156 MB of memory in use. ENERGY: 1933400 750.5673 2143.5254 1941.8821 99.4531 -206177.8665 17811.8654 0.0000 0.0000 34351.2217 -149079.3515 299.9978 -183430.5732 -148986.3810 298.5344 -16.3608 13.2130 557640.1725 -8.3703 -8.5871 PRESSURE: 1933600 366.736 -88.883 47.922 -88.8814 40.1092 45.8442 47.9226 45.8452 -113.381 GPRESSURE: 1933600 343.63 -105.133 -22.2943 -164.403 97.5543 40.382 -38.3093 -18.7326 -59.8743 PRESSAVG: 1933600 24.3805 -71.5997 12.4732 -71.5997 20.8433 -37.1484 12.4732 -37.1484 -44.2211 GPRESSAVG: 1933600 24.4756 -68.4522 11.6211 -71.0956 20.8468 -38.2667 11.5839 -37.1609 -43.8493 TIMING: 1933600 CPU: 5774.19, 0.0029767/step Wall: 5774.19, 0.0029767/step, 2.53549 hours remaining, 207.285156 MB of memory in use. ENERGY: 1933600 778.5258 2121.9983 1957.9704 112.0326 -206787.5919 18194.5638 0.0000 0.0000 34420.5196 -149201.9814 300.6030 -183622.5010 -149105.5357 299.9901 97.8213 127.1032 557217.4225 0.3343 0.4910 PRESSURE: 1933800 -23.2454 -1.15312 -83.1827 -1.15302 -78.9328 32.3471 -83.1835 32.3469 -139.017 GPRESSURE: 1933800 22.9434 3.45192 -146.269 -34.3875 -96.9763 16.0403 -85.0737 71.482 -73.4502 PRESSAVG: 1933800 -10.1899 -59.1182 9.27516 -59.1182 52.7729 14.1631 9.27508 14.1631 -37.2298 GPRESSAVG: 1933800 -9.15896 -61.3456 9.08738 -59.9843 52.1031 15.2194 9.36775 13.8728 -37.7073 TIMING: 1933800 CPU: 5774.79, 0.00301907/step Wall: 5774.79, 0.00301907/step, 2.57141 hours remaining, 207.285156 MB of memory in use. ENERGY: 1933800 780.2114 2095.6946 1953.6346 116.7202 -205983.2210 17715.6491 0.0000 0.0000 34248.9430 -149072.3681 299.1045 -183321.3112 -148977.7352 299.2870 -80.3985 -49.1610 558927.5369 1.7844 1.7456 PRESSURE: 1934000 -100.657 -197.636 -67.9944 -197.635 145.572 88.4163 -67.9948 88.4173 -74.9764 GPRESSURE: 1934000 -83.1756 -165.31 -163.412 -193.186 195.681 86.1289 -35.7374 109.61 -46.606 PRESSAVG: 1934000 -2.232 38.2289 47.7354 38.2288 32.5841 -42.3935 47.7354 -42.3935 -61.4871 GPRESSAVG: 1934000 -2.0398 39.9898 46.5573 37.5597 32.9363 -43.9221 47.8913 -41.7867 -61.6553 TIMING: 1934000 CPU: 5775.39, 0.00300391/step Wall: 5775.39, 0.00300391/step, 2.55833 hours remaining, 207.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1934000 741.7570 2052.2439 1925.9324 111.9603 -205611.6494 17810.9013 0.0000 0.0000 34270.9905 -148697.8639 299.2971 -182968.8544 -148605.2596 300.0407 -10.0205 21.9665 559154.7045 -10.3783 -10.2529 PRESSURE: 1934200 -368.011 -141.146 101.579 -141.147 -136.499 47.1406 101.579 47.1391 -300.916 GPRESSURE: 1934200 -388.635 -88.9081 165.624 -128.179 -76.913 77.8 76.8555 39.5981 -228.381 PRESSAVG: 1934200 -6.80304 32.3897 37.7866 32.3897 33.4341 18.1677 37.7867 18.1677 -20.7495 GPRESSAVG: 1934200 -8.57461 30.691 37.9183 33.7683 33.7831 18.8124 37.7513 17.8593 -18.9283 TIMING: 1934200 CPU: 5775.99, 0.00298458/step Wall: 5775.99, 0.00298458/step, 2.5417 hours remaining, 207.285156 MB of memory in use. ENERGY: 1934200 779.1686 2129.6979 1919.0857 117.1956 -205387.8511 17397.0390 0.0000 0.0000 33990.4405 -149055.2238 296.8470 -183045.6643 -148962.7738 299.1146 -268.4755 -231.3094 557891.3648 1.9605 2.0934 PRESSURE: 1934400 70.9736 181.469 95.1531 181.47 -147.771 49.6805 95.1543 49.6795 -229.701 GPRESSURE: 1934400 102.864 154.352 148.1 265.636 -110.227 54.3105 131.672 83.6035 -210.513 PRESSAVG: 1934400 40.6005 -16.6359 64.3469 -16.6359 60.6608 8.39244 64.3469 8.39238 -58.7757 GPRESSAVG: 1934400 42.2394 -16.5546 66.7176 -16.5372 59.7057 7.14201 61.9111 9.22317 -59.3486 TIMING: 1934400 CPU: 5776.59, 0.00299965/step Wall: 5776.59, 0.00299965/step, 2.55437 hours remaining, 207.285156 MB of memory in use. ENERGY: 1934400 792.6644 2050.9447 1932.0907 110.4718 -205815.0164 17601.0119 0.0000 0.0000 34212.1187 -149115.7142 298.7829 -183327.8329 -149012.9776 299.4810 -102.1664 -72.6254 556104.6620 14.1619 14.1988 PRESSURE: 1934600 -161.71 -106.889 57.7719 -106.889 183.484 25.2317 57.7724 25.23 -12.338 GPRESSURE: 1934600 -116.425 -174.238 191.704 -97.0305 206.799 19.7587 93.8342 118.535 22.5985 PRESSAVG: 1934600 41.7467 64.983 48.4409 64.983 -17.1688 18.0829 48.4409 18.0827 -39.8451 GPRESSAVG: 1934600 41.2489 66.5369 48.2452 62.7137 -17.086 18.2594 49.3957 18.9322 -39.1513 TIMING: 1934600 CPU: 5777.19, 0.00301389/step Wall: 5777.19, 0.00301389/step, 2.56632 hours remaining, 207.285156 MB of memory in use. ENERGY: 1934600 720.3905 2099.8898 1927.4779 105.7061 -206156.6206 17786.3998 0.0000 0.0000 34531.9948 -148984.7617 301.5765 -183516.7565 -148882.7015 300.1548 3.1454 37.6577 557590.8547 -5.0891 -4.9961 PRESSURE: 1934800 -38.7804 209.21 -45.8644 209.21 10.2593 -82.4418 -45.8646 -82.4411 57.8682 GPRESSURE: 1934800 -92.6656 300.232 -53.4186 134.795 99.4829 39.448 10.4313 -90.1412 123.031 PRESSAVG: 1934800 -24.8026 52.3716 8.74719 52.3716 -30.5325 -17.72 8.74713 -17.7202 66.9261 GPRESSAVG: 1934800 -24.5355 52.4147 8.52288 54.2751 -29.9255 -17.5337 8.54101 -16.7141 66.5575 TIMING: 1934800 CPU: 5777.79, 0.00299297/step Wall: 5777.79, 0.00299297/step, 2.54834 hours remaining, 207.285156 MB of memory in use. ENERGY: 1934800 757.3222 2078.4404 1953.0877 106.1261 -205715.0240 17614.3234 0.0000 0.0000 34222.2676 -148983.4566 298.8716 -183205.7242 -148882.8017 299.5434 9.7824 43.2828 558872.1164 3.8636 4.0322 PRESSURE: 1935000 -133.334 133.254 -67.1868 133.254 -25.0938 53.0463 -67.1871 53.047 22.7548 GPRESSURE: 1935000 -126.733 125.353 -43.2363 172.08 55.8799 12.9295 -83.5382 9.7312 29.5192 PRESSAVG: 1935000 33.7793 36.2851 -1.82203 36.2852 69.5833 12.7537 -1.82202 12.7537 -75.1204 GPRESSAVG: 1935000 33.7143 34.8512 -2.0273 37.6538 68.809 13.1423 -0.31771 11.2844 -74.4555 TIMING: 1935000 CPU: 5778.38, 0.00295543/step Wall: 5778.38, 0.00295543/step, 2.51622 hours remaining, 207.285156 MB of memory in use. ENERGY: 1935000 756.0049 2084.6626 1940.2219 118.5584 -206076.3983 17868.7516 0.0000 0.0000 34258.9827 -149049.2160 299.1922 -183308.1988 -148953.0824 300.4475 -45.2245 -13.7781 557928.6682 9.4140 9.3559 PRESSURE: 1935200 226.856 -57.1336 61.9433 -57.134 210.567 51.6968 61.9431 51.6969 104.605 GPRESSURE: 1935200 256.99 -73.8455 18.8715 -58.1165 239.241 11.0596 35.7973 43.9126 150.444 PRESSAVG: 1935200 10.3538 2.42965 48.7677 2.42972 26.3224 11.7903 48.7676 11.7902 -45.5649 GPRESSAVG: 1935200 10.321 3.41218 49.3505 1.4503 27.6821 11.175 47.134 12.209 -46.9524 TIMING: 1935200 CPU: 5778.98, 0.0029923/step Wall: 5778.98, 0.0029923/step, 2.54745 hours remaining, 207.285156 MB of memory in use. ENERGY: 1935200 738.8216 2032.4359 1943.5759 110.7678 -206318.2472 17991.5311 0.0000 0.0000 34449.1340 -149051.9810 300.8529 -183501.1150 -148954.9687 300.0829 180.6761 215.5584 555155.8739 -2.9629 -2.9831 PRESSURE: 1935400 -75.5385 -15.8803 89.1324 -15.8817 -169.317 136.075 89.1329 136.075 -53.9066 GPRESSURE: 1935400 -30.4622 22.3182 128.007 -20.9197 -95.2737 146.262 128.164 80.7042 -85.7937 PRESSAVG: 1935400 44.0367 -40.045 26.3137 -40.045 42.3977 -11.7267 26.3136 -11.7268 -38.4497 GPRESSAVG: 1935400 43.6533 -40.9238 25.9965 -42.346 42.2237 -11.0853 27.1204 -11.6441 -38.3439 TIMING: 1935400 CPU: 5779.58, 0.00301872/step Wall: 5779.58, 0.00301872/step, 2.56977 hours remaining, 207.285156 MB of memory in use. ENERGY: 1935400 743.2886 2085.5034 1927.0058 99.5523 -205922.7561 17605.4698 0.0000 0.0000 34306.1959 -149155.7402 299.6045 -183461.9362 -149050.3701 300.3650 -99.5875 -70.5099 555852.8073 15.9949 15.8444 PRESSURE: 1935600 -30.0329 17.5646 -53.7738 17.5649 -14.2564 -30.8505 -53.7735 -30.8503 -32.8474 GPRESSURE: 1935600 -31.409 10.5229 -56.6215 104.903 38.3997 -86.4371 -81.8947 61.6999 16.9103 PRESSAVG: 1935600 -5.92017 38.2493 1.26567 38.2492 -27.926 28.597 1.26568 28.597 18.6633 GPRESSAVG: 1935600 -5.90946 39.4978 0.527632 38.2394 -28.5646 29.5714 1.38812 29.3231 19.3446 TIMING: 1935600 CPU: 5780.18, 0.00298091/step Wall: 5780.18, 0.00298091/step, 2.53742 hours remaining, 207.285156 MB of memory in use. ENERGY: 1935600 786.1287 2060.1415 1934.3019 118.8410 -206042.7832 17584.1714 0.0000 0.0000 34297.6530 -149261.5456 299.5299 -183559.1985 -149161.5330 299.4491 -25.7122 7.9670 555139.8855 -5.0609 -5.0431 PRESSURE: 1935800 55.6522 33.3145 24.2977 33.3139 -95.242 -42.4179 24.2973 -42.4187 84.9037 GPRESSURE: 1935800 105.159 81.2351 68.6657 -29.9446 -24.3515 17.4159 6.90632 -20.3163 68.327 PRESSAVG: 1935800 -57.3254 39.8635 27.0464 39.8635 -2.47578 -0.915612 27.0465 -0.915588 69.793 GPRESSAVG: 1935800 -56.2619 39.7131 27.6871 42.3225 -3.5674 -0.910988 26.7481 -0.616454 70.1734 TIMING: 1935800 CPU: 5780.77, 0.00298192/step Wall: 5780.77, 0.00298192/step, 2.53811 hours remaining, 207.285156 MB of memory in use. ENERGY: 1935800 741.4694 2108.9365 1930.1472 109.6576 -206028.7652 17605.7714 0.0000 0.0000 34375.2126 -149157.5703 300.2073 -183532.7830 -149049.5830 299.4004 15.1046 49.7116 556279.6009 3.3306 3.4480 PRESSURE: 1936000 -100.027 4.39946 245.407 4.39865 55.3884 78.3931 245.407 78.3937 154.777 GPRESSURE: 1936000 13.701 75.2325 132.405 15.8451 67.6034 86.5209 307.668 46.7683 133.025 PRESSAVG: 1936000 -90.2151 50.5645 3.33837 50.5645 3.38687 -48.87 3.33847 -48.8699 56.6204 GPRESSAVG: 1936000 -90.3215 49.26 4.9212 50.3163 3.7582 -47.577 2.61101 -48.1595 56.3584 TIMING: 1936000 CPU: 5781.38, 0.00303604/step Wall: 5781.38, 0.00303604/step, 2.58401 hours remaining, 207.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1936000 691.6226 2129.5649 1930.6938 109.3956 -205910.9925 17653.0091 0.0000 0.0000 34248.1076 -149148.5989 299.0972 -183396.7065 -149055.9082 299.4551 36.7127 71.4432 556949.6047 -10.0693 -10.0683 PRESSURE: 1936200 -52.185 -21.0871 -231.673 -21.0868 -98.6211 6.20651 -231.673 6.20634 -60.7912 GPRESSURE: 1936200 34.0059 -165.217 -180.464 24.0164 -75.2288 -23.7848 -213.764 19.2364 -79.2313 PRESSAVG: 1936200 -3.05505 29.0089 13.4393 29.009 19.6139 34.9351 13.4394 34.9352 -27.4297 GPRESSAVG: 1936200 -3.00429 29.9497 12.2582 27.8801 19.8847 35.0309 15.3006 32.97 -28.0988 TIMING: 1936200 CPU: 5781.98, 0.00298571/step Wall: 5781.98, 0.00298571/step, 2.54101 hours remaining, 207.488281 MB of memory in use. ENERGY: 1936200 706.1173 2099.0055 1914.9513 124.6228 -205754.1676 17582.7935 0.0000 0.0000 34197.8639 -149128.8133 298.6585 -183326.6771 -149028.7867 298.9389 -70.5324 -40.1514 557728.0155 -3.6236 -3.7395 LDB: ============= START OF LOAD BALANCING ============== 5785.53 LDB: ============== END OF LOAD BALANCING =============== 5785.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5785.53 LDB: ============= START OF LOAD BALANCING ============== 5785.83 LDB: Largest compute 4773 load 0.028221 is 23.9% of average load 0.118212 LDB: Average compute 0.001736 is 1.5% of average load 0.118212 LDB: TIME 5785.83 LOAD: AVG 0.118212 MAX 0.20812 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.828 MB LDB: TIME 5785.83 LOAD: AVG 0.118212 MAX 0.20812 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.828 MB LDB: TIME 5785.83 LOAD: AVG 0.118212 MAX 0.20812 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.828 MB LDB: ============== END OF LOAD BALANCING =============== 5785.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5785.84 PRESSURE: 1936400 123.844 -113.566 45.4285 -113.567 -44.4983 126.078 45.4294 126.078 -21.7311 GPRESSURE: 1936400 153.341 -214.58 91.2603 -80.4148 7.9889 83.6519 18.8905 111.008 -4.27794 PRESSAVG: 1936400 -15.3244 4.62946 -5.81358 4.62941 17.7732 10.7654 -5.81366 10.7654 -43.2195 GPRESSAVG: 1936400 -14.8718 4.55463 -4.4174 5.15574 17.9698 10.8767 -6.03838 10.9704 -43.8522 TIMING: 1936400 CPU: 5782.59, 0.00303634/step Wall: 5782.59, 0.00303634/step, 2.58393 hours remaining, 207.851562 MB of memory in use. ENERGY: 1936400 774.4576 2060.0875 1924.6914 111.3526 -206397.2623 17964.6645 0.0000 0.0000 34321.4437 -149240.5649 299.7377 -183562.0086 -149146.3851 299.6747 19.2049 52.3506 557679.2650 -13.5902 -13.5847 PRESSURE: 1936600 246.895 -61.8033 5.54499 -61.8029 -62.4205 -47.7201 5.54552 -47.7188 55.7023 GPRESSURE: 1936600 252.879 -86.6315 41.4887 -110.101 8.6687 -37.5902 4.98305 -18.7601 69.8475 PRESSAVG: 1936600 17.8128 -3.86222 17.1723 -3.86213 28.7633 -19.0957 17.1722 -19.0955 -26.4855 GPRESSAVG: 1936600 16.8115 -3.44199 15.383 -3.47206 28.8516 -19.2695 15.9229 -19.8088 -26.0917 TIMING: 1936600 CPU: 5783.18, 0.0029585/step Wall: 5783.18, 0.0029585/step, 2.51752 hours remaining, 207.851562 MB of memory in use. ENERGY: 1936600 745.6782 2142.6688 1908.6604 115.8184 -206413.5418 17923.9662 0.0000 0.0000 34381.9661 -149194.7836 300.2663 -183576.7497 -149096.1059 299.8188 80.0590 110.4650 556504.1222 6.6968 6.5238 PRESSURE: 1936800 -0.635067 -68.151 -217.19 -68.1525 -81.4234 -147.451 -217.192 -147.45 -31.0469 GPRESSURE: 1936800 17.345 -74.8572 -150.429 -103.663 -0.470889 -113.615 -242.585 -168.925 -35.7272 PRESSAVG: 1936800 -2.72342 -59.7929 -11.4777 -59.7929 -8.35435 -26.8052 -11.4777 -26.8052 24.944 GPRESSAVG: 1936800 -0.938743 -58.4331 -12.3213 -60.9353 -9.32745 -29.6042 -10.2377 -24.6008 24.2604 TIMING: 1936800 CPU: 5783.77, 0.00298157/step Wall: 5783.77, 0.00298157/step, 2.53698 hours remaining, 207.851562 MB of memory in use. ENERGY: 1936800 724.6637 2085.5438 1939.8461 101.6049 -206445.0869 17882.3334 0.0000 0.0000 34490.8964 -149220.1985 301.2176 -183711.0949 -149118.4099 299.2681 -37.7018 -6.2844 556282.6686 4.6221 4.6647 PRESSURE: 1937000 -27.5264 122.48 71.2106 122.479 223.243 11.5716 71.2096 11.5694 203.189 GPRESSURE: 1937000 34.2432 125.967 169.715 62.5817 281.517 -21.1607 -39.0828 -18.4745 192.279 PRESSAVG: 1937000 25.5036 41.9402 -21.0539 41.9402 3.94101 -41.2016 -21.0539 -41.2017 -21.9381 GPRESSAVG: 1937000 24.2885 40.1674 -20.3242 42.0205 4.56494 -40.4516 -19.4712 -44.4943 -21.0359 TIMING: 1937000 CPU: 5784.38, 0.00301007/step Wall: 5784.38, 0.00301007/step, 2.56107 hours remaining, 207.851562 MB of memory in use. ENERGY: 1937000 727.9131 2056.7108 1886.7190 106.0537 -206398.1134 18005.9570 0.0000 0.0000 34481.5180 -149133.2420 301.1357 -183614.7599 -149041.4832 299.9699 132.9685 169.3465 555747.3720 2.5021 2.6058 PRESSURE: 1937200 59.3125 -70.2959 40.0219 -70.2959 167.628 -46.5108 40.0223 -46.5107 332.849 GPRESSURE: 1937200 127.371 -169.828 -22.4546 -93.9291 157.892 -56.3782 26.9996 22.4749 376.783 PRESSAVG: 1937200 -4.13968 -11.622 -2.71711 -11.6221 22.8019 -21.9679 -2.71715 -21.9679 26.9645 GPRESSAVG: 1937200 -3.57853 -11.029 -3.58856 -11.4739 21.5284 -20.779 -4.33345 -21.5675 27.8332 TIMING: 1937200 CPU: 5784.98, 0.00300829/step Wall: 5784.98, 0.00300829/step, 2.55939 hours remaining, 207.851562 MB of memory in use. ENERGY: 1937200 741.8518 2039.7957 1929.5898 122.3629 -206109.9568 17869.4602 0.0000 0.0000 34228.6772 -149178.2191 298.9276 -183406.8963 -149069.5819 299.6001 186.5967 220.6822 555018.2902 15.2089 15.2610 PRESSURE: 1937400 -320.535 -119.964 205.094 -119.965 2.81327 -12.08 205.095 -12.0809 -340.506 GPRESSURE: 1937400 -301.382 -76.8121 120.404 -118.236 21.1128 -36.8402 233.91 71.554 -290.615 PRESSAVG: 1937400 -109.408 -24.4788 -24.4406 -24.4788 74.8609 -10.4087 -24.4406 -10.4086 27.4826 GPRESSAVG: 1937400 -110.107 -25.1078 -24.4106 -24.4913 75.95 -10.658 -24.8876 -8.65177 27.2137 TIMING: 1937400 CPU: 5785.58, 0.0029892/step Wall: 5785.58, 0.0029892/step, 2.54298 hours remaining, 207.851562 MB of memory in use. ENERGY: 1937400 731.4075 2073.1907 1944.3662 109.1281 -205927.0328 17419.7981 0.0000 0.0000 34419.8251 -149229.3171 300.5969 -183649.1422 -149131.6116 300.0104 -219.4094 -190.2947 556181.0759 -2.3550 -2.3143 PRESSURE: 1937600 -126.406 153.979 56.222 153.979 -136.341 -95.6559 56.2237 -95.6562 -176.964 GPRESSURE: 1937600 -69.2585 139.182 3.70931 138.144 -129.765 -85.2434 73.0287 -45.2253 -125.052 PRESSAVG: 1937600 54.2953 -42.4278 -85.049 -42.4278 63.3571 -71.4237 -85.049 -71.4237 -89.5288 GPRESSAVG: 1937600 55.0945 -41.1647 -85.4295 -42.5927 62.401 -72.0759 -84.4175 -72.4658 -89.1844 TIMING: 1937600 CPU: 5786.17, 0.0029944/step Wall: 5786.17, 0.0029944/step, 2.54724 hours remaining, 207.851562 MB of memory in use. ENERGY: 1937600 789.9312 2085.2108 1934.1220 106.3206 -206205.7867 17943.0679 0.0000 0.0000 34333.5089 -149013.6255 299.8431 -183347.1344 -148917.6091 299.2660 -146.5703 -108.0252 559114.3562 9.3745 9.4370 PRESSURE: 1937800 -544.651 180.018 -114.15 180.018 -44.2839 66.7848 -114.15 66.7853 61.5509 GPRESSURE: 1937800 -536.226 143.965 -64.9619 286.032 41.0409 78.8284 -59.5638 47.9434 54.1008 PRESSAVG: 1937800 -2.074 8.78814 -6.258 8.78825 22.085 -19.903 -6.25804 -19.903 -26.5306 GPRESSAVG: 1937800 -2.44688 8.43598 -6.57423 9.01836 22.499 -22.0771 -5.05942 -19.9828 -26.5077 TIMING: 1937800 CPU: 5786.77, 0.00297065/step Wall: 5786.77, 0.00297065/step, 2.52687 hours remaining, 207.851562 MB of memory in use. ENERGY: 1937800 817.6886 2093.3664 1927.2065 100.6085 -206316.3269 17965.3945 0.0000 0.0000 34254.6181 -149157.4444 299.1541 -183412.0624 -149060.4018 299.9152 -175.7946 -147.0280 558836.8674 -2.1732 -2.1519 PRESSURE: 1938000 -282.907 -138.654 -11.4553 -138.653 -55.7047 -54.8197 -11.4549 -54.8187 276.892 GPRESSURE: 1938000 -214.986 -26.1168 13.5131 -152.854 -28.6865 -57.3113 -83.6263 -41.4748 281.817 PRESSAVG: 1938000 -39.7604 -18.9594 54.4236 -18.9594 -11.3957 -2.44792 54.4235 -2.44792 18.2037 GPRESSAVG: 1938000 -39.9827 -20.2432 55.9471 -18.5326 -11.3714 -0.576436 51.368 -1.2039 18.443 TIMING: 1938000 CPU: 5787.37, 0.00301874/step Wall: 5787.37, 0.00301874/step, 2.56761 hours remaining, 207.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1938000 785.4528 2072.4579 1901.4333 119.9535 -206154.1584 17884.4250 0.0000 0.0000 34338.1457 -149052.2903 299.8836 -183390.4359 -148958.2006 299.0825 -20.5732 12.7150 556460.0504 -10.9841 -10.9704 PRESSURE: 1938200 153.205 1.82332 -32.9226 1.8234 -38.3979 61.8102 -32.9228 61.8105 -19.0442 GPRESSURE: 1938200 127.682 -66.1568 -16.2223 50.0685 38.8765 7.65901 -44.6657 130.38 25.9964 PRESSAVG: 1938200 -5.4578 -7.74785 43.5164 -7.74776 -57.5715 -13.358 43.5164 -13.358 36.4611 GPRESSAVG: 1938200 -4.51477 -8.06171 42.4303 -6.99792 -58.0348 -14.3065 45.4886 -14.644 35.9081 TIMING: 1938200 CPU: 5787.97, 0.00300688/step Wall: 5787.97, 0.00300688/step, 2.55735 hours remaining, 207.851562 MB of memory in use. ENERGY: 1938200 784.0707 2089.9916 1902.0606 103.1520 -206424.5362 18124.6353 0.0000 0.0000 34381.6428 -149038.9832 300.2634 -183420.6260 -148948.8834 299.4297 31.9210 64.1849 558823.3387 -8.8561 -8.8805 PRESSURE: 1938400 50.8577 -237.44 -117.23 -237.44 94.1732 -27.3775 -117.229 -27.3771 -2.19971 GPRESSURE: 1938400 107.815 -250.946 -71.3641 -140.912 89.9972 -45.9356 -127.988 8.43207 39.042 PRESSAVG: 1938400 -12.0713 -36.426 45.2725 -36.4259 -61.0421 -39.6362 45.2724 -39.6362 58.3265 GPRESSAVG: 1938400 -12.7643 -36.1031 47.2835 -37.8843 -60.0396 -39.7796 44.504 -37.5351 58.129 TIMING: 1938400 CPU: 5788.57, 0.00297562/step Wall: 5788.57, 0.00297562/step, 2.5306 hours remaining, 207.851562 MB of memory in use. ENERGY: 1938400 737.4145 2088.5676 1925.1725 108.8672 -206273.2400 17892.9763 0.0000 0.0000 34295.2016 -149225.0403 299.5085 -183520.2419 -149122.3880 299.4071 47.6104 78.9513 557279.1419 -4.9290 -4.8916 PRESSURE: 1938600 139.085 77.6697 -5.942 77.671 65.8153 97.7718 -5.94295 97.7711 177.315 GPRESSURE: 1938600 174.421 38.7228 98.6049 167.114 89.1149 92.2077 -38.8731 80.3853 218.216 PRESSAVG: 1938600 2.83319 -74.2875 -27.1924 -74.2876 -36.4484 30.1556 -27.1925 30.1557 11.6441 GPRESSAVG: 1938600 1.62405 -72.0683 -27.5002 -74.8639 -37.0946 32.543 -29.336 30.6138 13.8534 TIMING: 1938600 CPU: 5789.17, 0.00301763/step Wall: 5789.17, 0.00301763/step, 2.56616 hours remaining, 207.851562 MB of memory in use. ENERGY: 1938600 716.4906 2047.8740 1939.2347 116.2129 -206301.9883 17885.8802 0.0000 0.0000 34400.3632 -149195.9326 300.4269 -183596.2958 -149098.1979 299.8170 127.4048 160.5842 556442.5808 -7.3237 -7.2057 PRESSURE: 1938800 -15.9498 20.4791 114.871 20.4786 294.065 -94.379 114.871 -94.3787 -147.517 GPRESSURE: 1938800 53.5883 -25.0469 42.8763 31.3422 293.471 -107.619 154.438 27.3341 -118.333 PRESSAVG: 1938800 -24.4108 -55.2636 46.9585 -55.2635 6.27337 6.23203 46.9585 6.23196 7.51378 GPRESSAVG: 1938800 -23.4653 -58.2601 44.9916 -54.7564 7.68228 2.88126 47.8007 4.88539 5.28057 TIMING: 1938800 CPU: 5789.77, 0.00299411/step Wall: 5789.77, 0.00299411/step, 2.54599 hours remaining, 207.851562 MB of memory in use. ENERGY: 1938800 768.8354 2096.7577 1922.2133 116.6792 -205809.7424 17619.8482 0.0000 0.0000 34065.6071 -149219.8015 297.5034 -183285.4086 -149130.5567 299.8905 43.5327 76.2421 556414.0228 -3.5412 -3.5008 PRESSURE: 1939000 -216.064 144.368 -32.4944 144.368 -28.6926 111.462 -32.4933 111.462 41.5146 GPRESSURE: 1939000 -153.002 196.803 65.0542 86.3364 -24.7602 103.41 -172.986 103.021 72.6524 PRESSAVG: 1939000 22.7528 -1.34187 7.30184 -1.34184 -37.943 36.1084 7.30187 36.1083 36.9506 GPRESSAVG: 1939000 22.2057 -0.497543 9.41564 -1.4057 -38.5892 38.5001 7.88048 37.7376 38.3719 TIMING: 1939000 CPU: 5790.37, 0.00299392/step Wall: 5790.37, 0.00299392/step, 2.54566 hours remaining, 207.851562 MB of memory in use. ENERGY: 1939000 723.0145 2083.7979 1923.4995 110.5519 -205663.9503 17473.7945 0.0000 0.0000 34106.7849 -149242.5071 297.8630 -183349.2920 -149145.4304 299.1798 -67.7472 -35.0365 557231.2699 7.2535 7.3294 PRESSURE: 1939200 1.34542 24.3798 -26.5944 24.3801 32.6575 239.707 -26.5946 239.706 -36.7233 GPRESSURE: 1939200 29.4546 9.40774 -79.6657 58.4688 83.1996 240.415 -27.4087 189.357 -27.8806 PRESSAVG: 1939200 -84.0949 -41.2279 18.5796 -41.2279 -28.4419 19.1192 18.5795 19.1193 99.1489 GPRESSAVG: 1939200 -83.8775 -40.4712 17.1091 -40.8802 -28.0222 17.9842 19.7684 16.4036 98.7643 TIMING: 1939200 CPU: 5790.97, 0.00299691/step Wall: 5790.97, 0.00299691/step, 2.54804 hours remaining, 207.851562 MB of memory in use. ENERGY: 1939200 713.8858 2090.2197 1937.4866 101.8444 -205689.7065 17552.5410 0.0000 0.0000 34075.3818 -149218.3471 297.5888 -183293.7289 -149120.1670 299.6692 -0.9068 28.2578 556904.4418 -4.4626 -4.3785 PRESSURE: 1939400 -70.2087 -96.268 -56.2445 -96.2667 167.035 -1.44264 -56.2442 -1.4426 28.6725 GPRESSURE: 1939400 -26.0056 -93.9613 -25.3827 -69.7389 176.934 23.9929 -96.8343 11.1807 67.3712 PRESSAVG: 1939400 27.6831 -64.1912 -12.4898 -64.1913 15.708 25.1715 -12.4899 25.1715 9.64447 GPRESSAVG: 1939400 27.4078 -63.446 -12.4852 -64.8877 15.6586 26.326 -12.1205 28.0164 10.105 TIMING: 1939400 CPU: 5791.57, 0.00299532/step Wall: 5791.57, 0.00299532/step, 2.54652 hours remaining, 207.851562 MB of memory in use. ENERGY: 1939400 717.7322 2086.4168 1951.2899 111.2166 -205803.0618 17656.7857 0.0000 0.0000 34110.0916 -149169.5291 297.8919 -183279.6206 -149078.3136 298.7315 41.8329 72.7667 556256.7520 17.6785 17.7238 PRESSURE: 1939600 -136.228 1.44987 112.692 1.45037 -69.8862 -34.7322 112.692 -34.7309 -167.695 GPRESSURE: 1939600 -119.143 -22.0245 125.629 101.543 -62.6346 -46.6658 56.164 -24.8676 -100.232 PRESSAVG: 1939600 -3.94638 8.62519 -1.46505 8.62517 20.34 17.449 -1.465 17.4489 -5.64046 GPRESSAVG: 1939600 -2.64801 8.69826 -2.19891 8.03599 20.4813 16.9485 -3.02834 14.762 -6.48925 TIMING: 1939600 CPU: 5792.16, 0.00297332/step Wall: 5792.16, 0.00297332/step, 2.52765 hours remaining, 207.851562 MB of memory in use. ENERGY: 1939600 761.0633 2062.2452 1924.4359 117.0999 -206123.5808 17622.7849 0.0000 0.0000 34391.8666 -149244.0849 300.3527 -183635.9515 -149149.9009 299.2363 -124.6032 -94.0032 557232.7715 3.5844 3.7813 PRESSURE: 1939800 -14.9429 -122.581 -80.9658 -122.58 -158.285 -75.7979 -80.9661 -75.7966 -383.646 GPRESSURE: 1939800 -35.9968 -64.8557 -91.9724 -188.106 -131.378 -107.487 -82.0726 -90.821 -286.47 PRESSAVG: 1939800 5.01056 -5.5554 11.8509 -5.55547 -7.3618 19.7115 11.8509 19.7117 -11.7419 GPRESSAVG: 1939800 3.85599 -5.80448 11.9457 -6.3953 -8.01169 19.054 11.4358 20.8697 -9.87615 TIMING: 1939800 CPU: 5792.76, 0.00300171/step Wall: 5792.76, 0.00300171/step, 2.55162 hours remaining, 207.921875 MB of memory in use. ENERGY: 1939800 743.0675 2087.1388 1944.3406 104.3711 -205737.0900 17537.0252 0.0000 0.0000 34083.2324 -149237.9145 297.6573 -183321.1469 -149140.8923 299.3781 -185.6249 -151.2814 559109.0929 -4.6977 -4.6773 PRESSURE: 1940000 -187.821 -15.5335 -135.801 -15.535 -60.3838 -55.9516 -135.8 -55.952 136.579 GPRESSURE: 1940000 -133.746 -94.2553 -114.513 94.6331 -65.477 4.88936 -126.93 -71.4315 177.718 PRESSAVG: 1940000 12.6388 -30.0373 -2.52097 -30.0373 -7.79642 17.3096 -2.52102 17.3097 19.7692 GPRESSAVG: 1940000 12.5947 -32.8427 -0.368125 -27.3527 -6.8933 17.68 -2.94775 16.7581 18.7851 TIMING: 1940000 CPU: 5793.37, 0.00302186/step Wall: 5793.37, 0.00302186/step, 2.56858 hours remaining, 207.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1940000 764.3054 2135.3430 1910.0464 111.1545 -206009.2801 17751.2473 0.0000 0.0000 34154.3658 -149182.8177 298.2786 -183337.1835 -149092.2928 299.0046 -37.2086 -7.1682 559083.0585 8.2039 8.1622 PRESSURE: 1940200 109.182 78.6092 -91.387 78.6085 -47.3856 -92.6645 -91.3867 -92.6646 -82.467 GPRESSURE: 1940200 91.3026 93.9439 -144.214 100.947 -1.47202 -66.1697 -113.961 -9.2229 -16.1663 PRESSAVG: 1940200 -12.5205 -31.1382 -57.854 -31.1381 2.71717 22.2397 -57.8541 22.2396 18.9869 GPRESSAVG: 1940200 -11.5659 -26.5905 -60.5083 -33.4066 1.42032 23.9792 -56.9216 19.6829 19.6401 TIMING: 1940200 CPU: 5793.97, 0.00300538/step Wall: 5793.97, 0.00300538/step, 2.55441 hours remaining, 207.921875 MB of memory in use. ENERGY: 1940200 756.7803 2095.9108 1933.4312 116.8464 -206155.2493 18025.9984 0.0000 0.0000 34295.1042 -148931.1780 299.5077 -183226.2822 -148838.5972 299.8734 -6.8903 24.5548 557969.0439 3.0612 3.1648 LDB: ============= START OF LOAD BALANCING ============== 5797.52 LDB: ============== END OF LOAD BALANCING =============== 5797.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5797.52 LDB: ============= START OF LOAD BALANCING ============== 5797.82 LDB: Largest compute 4773 load 0.027315 is 23.1% of average load 0.118172 LDB: Average compute 0.001737 is 1.5% of average load 0.118172 LDB: TIME 5797.82 LOAD: AVG 0.118172 MAX 0.210599 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.391 MB LDB: TIME 5797.82 LOAD: AVG 0.118172 MAX 0.210599 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.391 MB LDB: TIME 5797.82 LOAD: AVG 0.118172 MAX 0.210599 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.391 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5797.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5797.83 PRESSURE: 1940400 -80.7772 62.3405 -37.0105 62.3402 -258.844 53.6685 -37.0105 53.668 -167.671 GPRESSURE: 1940400 -76.5022 124.569 -59.4738 72.8307 -231.733 72.0349 -70.5071 76.3404 -95.0121 PRESSAVG: 1940400 -12.4831 -30.6007 -1.67835 -30.6007 23.3679 0.833498 -1.67837 0.833495 -11.3074 GPRESSAVG: 1940400 -13.0752 -32.8446 -0.506591 -29.0736 23.4668 0.469104 -2.87618 0.927721 -10.6829 TIMING: 1940400 CPU: 5794.58, 0.00304514/step Wall: 5794.58, 0.00304514/step, 2.58803 hours remaining, 206.335938 MB of memory in use. ENERGY: 1940400 764.6786 2127.8616 1928.3286 121.5298 -205635.4654 17508.3938 0.0000 0.0000 34218.8375 -148965.8356 298.8416 -183184.6731 -148865.7256 299.9819 -169.0976 -134.4156 560250.5927 -0.1409 -0.0971 PRESSURE: 1940600 -163.275 51.3119 -102.053 51.3129 104.028 20.1837 -102.052 20.1831 -82.9512 GPRESSURE: 1940600 -105.59 89.034 -92.9371 -15.1413 99.9836 67.5699 -85.3143 4.01912 -30.9159 PRESSAVG: 1940600 42.9744 -11.8855 21.5164 -11.8855 13.8612 12.9204 21.5164 12.9204 -23.9447 GPRESSAVG: 1940600 44.1612 -12.1174 23.454 -12.0473 14.737 11.4227 22.2873 15.037 -26.032 TIMING: 1940600 CPU: 5795.18, 0.00299633/step Wall: 5795.18, 0.00299633/step, 2.54638 hours remaining, 206.535156 MB of memory in use. ENERGY: 1940600 754.1901 2097.0238 1941.4182 125.2824 -206259.7305 17923.4727 0.0000 0.0000 34184.7074 -149233.6359 298.5436 -183418.3433 -149139.0473 299.2816 -47.3993 -12.1741 557895.9482 10.9636 10.9554 PRESSURE: 1940800 253.882 -92.0072 154.929 -92.0072 258.246 144.222 154.93 144.222 24.1697 GPRESSURE: 1940800 305 -160.082 190.658 -47.2514 232.724 166.008 135.378 112.336 87.407 PRESSAVG: 1940800 38.1987 -25.4656 34.495 -25.4657 22.3389 49.8379 34.4949 49.838 -50.8898 GPRESSAVG: 1940800 36.898 -24.604 33.8843 -27.8482 22.0513 51.9833 34.6542 47.7962 -49.6819 TIMING: 1940800 CPU: 5795.78, 0.00303094/step Wall: 5795.78, 0.00303094/step, 2.57562 hours remaining, 206.535156 MB of memory in use. ENERGY: 1940800 765.0492 2104.9733 1959.2028 120.0767 -206643.2960 18341.3942 0.0000 0.0000 34273.1677 -149079.4321 299.3161 -183352.5998 -148989.3705 298.8334 178.7656 208.3770 558043.9131 3.2159 3.0891 PRESSURE: 1941000 81.9408 -104.743 67.0859 -104.743 -110.437 -45.5754 67.0861 -45.5745 -358.592 GPRESSURE: 1941000 116.696 -99.2064 105.309 -118.501 -49.7589 -87.6594 -76.6626 69.1206 -355.103 PRESSAVG: 1941000 27.2762 -23.0501 26.2739 -23.0502 -47.634 23.725 26.2739 23.7251 43.389 GPRESSAVG: 1941000 26.5769 -24.7585 28.1775 -20.4932 -47.2392 24.0224 22.1967 24.9477 44.1289 TIMING: 1941000 CPU: 5796.39, 0.0030113/step Wall: 5796.39, 0.0030113/step, 2.55877 hours remaining, 206.535156 MB of memory in use. ENERGY: 1941000 793.4321 2104.4172 1963.1589 115.5038 -206321.4437 17971.3095 0.0000 0.0000 34209.7517 -149163.8706 298.7623 -183373.6223 -149070.9462 299.8146 -129.0293 -96.0554 559792.6336 7.6771 7.8222 PRESSURE: 1941200 16.3916 -24.2632 -48.5246 -24.2646 -95.089 44.5259 -48.5248 44.5266 8.56743 GPRESSURE: 1941200 96.7757 -23.2958 -80.8844 98.2179 -104.879 54.4383 18.9836 68.1305 16.5272 PRESSAVG: 1941200 38.6722 -18.1513 16.8347 -18.1513 -46.8359 -12.5842 16.8346 -12.5841 -12.3604 GPRESSAVG: 1941200 38.7794 -15.4251 15.1479 -19.3776 -46.167 -13.6498 22.4366 -12.4251 -12.9609 TIMING: 1941200 CPU: 5796.98, 0.00299326/step Wall: 5796.98, 0.00299326/step, 2.54327 hours remaining, 206.535156 MB of memory in use. ENERGY: 1941200 769.1062 2089.3076 1952.0151 101.9550 -206342.0556 17765.1991 0.0000 0.0000 34431.6374 -149232.8350 300.7001 -183664.4725 -149137.9586 300.0177 -23.3767 2.8080 557773.7293 -6.8414 -6.7829 PRESSURE: 1941400 413.702 88.2517 -66.4217 88.2501 30.8066 46.096 -66.422 46.0972 -22.3394 GPRESSURE: 1941400 412.77 0.706045 -158.225 143.875 81.7564 90.4945 -58.3231 59.4057 10.7741 PRESSAVG: 1941400 13.7317 -6.15366 -14.9014 -6.15365 -18.2024 4.02373 -14.9014 4.02376 21.6298 GPRESSAVG: 1941400 14.3665 -6.429 -14.2292 -7.49898 -18.978 2.76618 -18.0406 4.54846 21.8395 TIMING: 1941400 CPU: 5797.58, 0.00297709/step Wall: 5797.58, 0.00297709/step, 2.52937 hours remaining, 206.535156 MB of memory in use. ENERGY: 1941400 737.4736 2067.3501 1952.0014 111.5646 -206327.5844 18027.3384 0.0000 0.0000 34231.4809 -149200.3754 298.9520 -183431.8563 -149104.5228 299.3814 140.7229 168.4336 556155.4046 5.7197 5.7427 PRESSURE: 1941600 -139.105 -19.3465 103.001 -19.3476 66.7488 -90.6442 103.001 -90.6439 183.121 GPRESSURE: 1941600 -134.32 -42.366 119.255 5.64894 77.4111 -116.587 68.9566 -80.8659 255.484 PRESSAVG: 1941600 -26.0663 -27.8916 4.70539 -27.8917 16.3548 -53.1459 4.70528 -53.146 -15.1942 GPRESSAVG: 1941600 -24.05 -28.954 3.73316 -27.1257 15.0142 -50.5868 4.20506 -55.5765 -16.0692 TIMING: 1941600 CPU: 5798.19, 0.00302673/step Wall: 5798.19, 0.00302673/step, 2.57138 hours remaining, 206.535156 MB of memory in use. ENERGY: 1941600 722.6951 2041.3200 1926.0982 117.7953 -206342.7730 17905.2238 0.0000 0.0000 34305.5245 -149324.1162 299.5987 -183629.6407 -149220.8674 300.0775 36.9214 66.1917 557578.1721 -8.3019 -8.3683 PRESSURE: 1941800 120.529 96.3369 -37.128 96.3369 -120.714 -67.1064 -37.1284 -67.1065 222.797 GPRESSURE: 1941800 127.553 -5.38264 -135.16 45.6662 -54.2364 -27.4877 20.8227 -63.4515 243.021 PRESSAVG: 1941800 27.8948 -37.8379 20.2913 -37.8379 0.762058 7.02481 20.2913 7.02479 2.04889 GPRESSAVG: 1941800 25.2139 -37.0379 18.08 -37.5919 1.9082 5.9526 23.1184 9.75353 3.04085 TIMING: 1941800 CPU: 5798.79, 0.00303129/step Wall: 5798.79, 0.00303129/step, 2.57508 hours remaining, 206.535156 MB of memory in use. ENERGY: 1941800 781.2475 2064.9122 1910.2893 108.4483 -206690.2001 18016.5293 0.0000 0.0000 34530.5949 -149278.1786 301.5643 -183808.7735 -149169.0894 300.0375 74.2040 105.4457 556734.3308 10.2353 10.0543 PRESSURE: 1942000 150.196 35.3094 155.972 35.3089 107.776 71.2719 155.971 71.2719 33.3288 GPRESSURE: 1942000 200.869 134.768 146.902 -55.3316 54.67 94.1337 105.663 50.0786 139.006 PRESSAVG: 1942000 18.6023 -65.6939 49.9177 -65.694 -36.501 21.104 49.9177 21.1039 -3.25391 GPRESSAVG: 1942000 19.4723 -65.7547 52.2944 -64.8369 -36.6375 20.6465 47.1601 19.6571 -4.42825 TIMING: 1942000 CPU: 5799.39, 0.00300497/step Wall: 5799.39, 0.00300497/step, 2.55256 hours remaining, 206.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1942000 726.0562 2070.3315 1913.0383 121.5838 -206592.2895 18014.7440 0.0000 0.0000 34410.2989 -149336.2368 300.5137 -183746.5357 -149242.2140 299.9265 97.1001 131.5151 556257.5039 -7.0509 -7.1978 PRESSURE: 1942200 -112.297 27.0086 191.947 27.0098 -101.992 122.699 191.948 122.7 7.09327 GPRESSURE: 1942200 -84.1398 37.692 226.402 -1.87213 -8.98642 99.2708 138.398 156.117 -16.8566 PRESSAVG: 1942200 -20.3553 -8.12423 4.69074 -8.12424 25.6655 10.6708 4.69069 10.6706 34.0111 GPRESSAVG: 1942200 -20.7935 -8.24811 3.81864 -9.69501 25.7006 11.5936 5.90309 13.7453 34.5146 TIMING: 1942200 CPU: 5799.99, 0.00297504/step Wall: 5799.99, 0.00297504/step, 2.52697 hours remaining, 206.535156 MB of memory in use. ENERGY: 1942200 758.8712 2088.0287 1924.1159 112.5002 -206039.3038 17629.0069 0.0000 0.0000 34015.1655 -149511.6154 297.0629 -183526.7808 -149409.4312 298.8188 -69.0654 -36.6609 557810.1640 13.1071 13.1405 PRESSURE: 1942400 76.2508 -9.15623 -73.0473 -9.15561 26.1407 -34.2466 -73.0461 -34.2467 14.7196 GPRESSURE: 1942400 130.638 31.0707 -38.8213 -39.5409 35.7501 -48.8081 -60.4103 65.9402 50.3753 PRESSAVG: 1942400 -16.8681 -18.5578 6.34932 -18.5577 29.5545 37.3024 6.34939 37.3025 -2.00959 GPRESSAVG: 1942400 -17.0732 -20.1512 6.32652 -17.6645 30.3145 37.6595 5.84043 33.7778 -2.52935 TIMING: 1942400 CPU: 5800.59, 0.00300741/step Wall: 5800.59, 0.00300741/step, 2.5543 hours remaining, 206.535156 MB of memory in use. ENERGY: 1942400 708.8276 2082.0353 1897.2663 117.8687 -206281.8390 17790.9373 0.0000 0.0000 34143.2962 -149541.6076 298.1819 -183684.9038 -149449.3006 298.6335 39.0370 72.2545 555700.8602 3.5589 3.5707 PRESSURE: 1942600 143.759 -65.7247 -38.2326 -65.7252 -67.8901 112.828 -38.2318 112.828 -221.704 GPRESSURE: 1942600 163.511 -82.6544 -30.1415 -123.301 -10.7633 126.217 -83.1638 88.7518 -197.356 PRESSAVG: 1942600 -1.88064 -37.0872 -9.73854 -37.0872 14.8762 -11.0752 -9.73857 -11.0752 -1.76388 GPRESSAVG: 1942600 -1.96502 -36.7365 -8.14238 -38.0797 14.9357 -13.2233 -10.9953 -8.96423 -1.0102 TIMING: 1942600 CPU: 5801.18, 0.0029774/step Wall: 5801.18, 0.0029774/step, 2.52864 hours remaining, 206.535156 MB of memory in use. ENERGY: 1942600 737.1766 2105.0233 1898.2354 117.3616 -206069.2143 17593.6809 0.0000 0.0000 34141.7557 -149475.9807 298.1684 -183617.7364 -149383.7876 298.5607 -48.6118 -14.8693 556439.6488 3.7439 3.9868 PRESSURE: 1942800 -207.12 18.3295 -11.192 18.3291 303.721 -88.7003 -11.1932 -88.7 -123.896 GPRESSURE: 1942800 -202.548 43.4649 -3.12043 -7.51321 334.286 -156.552 -10.5016 -21.6267 -55.9126 PRESSAVG: 1942800 -44.4534 -34.6417 57.7625 -34.6417 43.5005 33.0275 57.7624 33.0276 -4.6187 GPRESSAVG: 1942800 -44.8401 -32.0366 55.7972 -34.4072 42.0688 34.7751 60.5894 31.6366 -3.74423 TIMING: 1942800 CPU: 5801.79, 0.0030063/step Wall: 5801.79, 0.0030063/step, 2.55302 hours remaining, 206.535156 MB of memory in use. ENERGY: 1942800 740.9834 2038.6466 1940.4431 112.1820 -206399.1391 17874.5182 0.0000 0.0000 34310.1215 -149382.2443 299.6388 -183692.3658 -149287.9541 298.9720 -9.0981 25.2751 557777.2795 -1.8572 -2.1719 PRESSURE: 1943000 9.21984 -32.6839 166.348 -32.6839 -113.65 67.2481 166.349 67.2485 -139.433 GPRESSURE: 1943000 20.1982 15.9798 127.501 -78.2579 -99.7059 98.174 102.945 -80.7944 -69.3399 PRESSAVG: 1943000 -69.0223 46.6127 11.8999 46.6127 113.04 27.9206 11.9 27.9206 18.2436 GPRESSAVG: 1943000 -69.9537 44.4522 11.7481 48.4258 113.348 29.6905 10.8803 26.6725 18.9592 TIMING: 1943000 CPU: 5802.39, 0.00300066/step Wall: 5802.39, 0.00300066/step, 2.54806 hours remaining, 206.535156 MB of memory in use. ENERGY: 1943000 770.8602 2056.8738 1935.4533 104.2956 -206291.5060 17861.3165 0.0000 0.0000 34228.3453 -149334.3612 298.9247 -183562.7066 -149233.2271 299.5056 -81.2879 -49.6159 557924.3129 20.7538 20.7846 PRESSURE: 1943200 139.708 29.7179 91.6552 29.7173 -21.6167 -66.4715 91.6542 -66.4722 -1.11085 GPRESSURE: 1943200 176.264 33.0738 74.6916 55.2384 45.4509 -71.186 62.2254 -157.859 1.62239 PRESSAVG: 1943200 -7.84343 -1.35797 -4.55825 -1.35803 11.8427 4.3567 -4.55824 4.35674 -9.4605 GPRESSAVG: 1943200 -6.76131 -0.434742 -4.46359 -2.23966 11.5012 2.61894 -4.5993 4.67373 -10.0369 TIMING: 1943200 CPU: 5802.98, 0.00298631/step Wall: 5802.98, 0.00298631/step, 2.53571 hours remaining, 206.535156 MB of memory in use. ENERGY: 1943200 720.6122 2066.0908 1945.3570 105.1646 -206332.5545 17902.6516 0.0000 0.0000 34495.7006 -149096.9778 301.2595 -183592.6783 -148999.3087 299.7598 38.9933 74.4457 558265.9565 -1.8204 -1.7657 PRESSURE: 1943400 230.985 88.9631 -215.527 88.9616 -85.7834 26.6884 -215.527 26.6864 188.187 GPRESSURE: 1943400 240.062 115.415 -240.436 91.5641 21.9099 7.30523 -129.048 49.8996 184.526 PRESSAVG: 1943400 54.8043 -35.6098 -37.8682 -35.6098 12.0396 -61.5635 -37.8682 -61.5634 -46.1596 GPRESSAVG: 1943400 53.2336 -35.7539 -37.2674 -35.0557 13.3297 -59.2891 -37.8526 -61.1332 -45.6228 TIMING: 1943400 CPU: 5803.58, 0.00298585/step Wall: 5803.58, 0.00298585/step, 2.53516 hours remaining, 206.535156 MB of memory in use. ENERGY: 1943400 736.3315 1960.0902 1949.0477 114.3708 -206725.0710 18017.4969 0.0000 0.0000 34489.8663 -149457.8675 301.2086 -183947.7338 -149357.3393 299.9812 111.1295 148.8329 557133.3768 6.8948 6.9802 PRESSURE: 1943600 44.2639 -90.2769 108.299 -90.2767 -55.4486 -115.868 108.297 -115.87 4.1081 GPRESSURE: 1943600 90.4343 -11.5711 62.8143 -138.741 -41.1571 -71.1946 123.513 -122.134 40.5396 PRESSAVG: 1943600 -0.553117 -35.4608 -59.9433 -35.4608 48.4008 14.0574 -59.9433 14.0574 19.1636 GPRESSAVG: 1943600 -0.0203861 -34.4431 -60.3554 -35.2113 48.6528 11.5415 -58.4736 15.4676 18.2577 TIMING: 1943600 CPU: 5804.18, 0.00300593/step Wall: 5804.18, 0.00300593/step, 2.55204 hours remaining, 206.535156 MB of memory in use. ENERGY: 1943600 747.1758 2088.5639 1943.6211 119.3304 -206187.0750 17762.0856 0.0000 0.0000 33976.9303 -149549.3680 296.7290 -183526.2982 -149458.9543 298.4334 -2.3589 29.9389 558046.3235 22.3371 22.2967 PRESSURE: 1943800 27.9649 181.351 158.567 181.351 -6.35502 84.6773 158.569 84.6764 -25.5233 GPRESSURE: 1943800 20.1172 213.373 174.292 126.541 -13.9611 51.7466 168.168 7.26107 104.5 PRESSAVG: 1943800 12.9896 -39.1314 22.4969 -39.1313 19.4713 4.13473 22.4969 4.13469 -33.7355 GPRESSAVG: 1943800 12.7077 -39.3694 23.9438 -38.0337 18.5278 3.97434 21.4761 5.16323 -32.1082 TIMING: 1943800 CPU: 5804.79, 0.00301994/step Wall: 5804.79, 0.00301994/step, 2.56376 hours remaining, 206.535156 MB of memory in use. ENERGY: 1943800 754.4466 2031.6130 1925.3726 113.4874 -206491.0768 17887.9344 0.0000 0.0000 34190.6683 -149587.5546 298.5956 -183778.2229 -149496.3785 297.9612 -1.3045 36.8855 556706.8167 -0.4249 -0.2909 PRESSURE: 1944000 -158.296 -147.485 3.94742 -147.486 41.1067 40.3448 3.94813 40.3449 67.975 GPRESSURE: 1944000 -139.695 -148.048 -84.7702 -157.347 146.865 108.214 -5.42065 -42.7421 34.4984 PRESSAVG: 1944000 17.3472 -24.6997 -46.0776 -24.6997 10.4416 3.5493 -46.0776 3.54915 21.8104 GPRESSAVG: 1944000 18.0282 -23.7507 -47.0462 -26.678 10.139 5.35812 -46.12 1.78261 21.3005 TIMING: 1944000 CPU: 5805.38, 0.00298302/step Wall: 5805.38, 0.00298302/step, 2.53225 hours remaining, 206.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1944000 744.5427 2120.8962 1923.5544 115.6632 -206504.5748 17817.5472 0.0000 0.0000 34428.3447 -149354.0264 300.6713 -183782.3711 -149256.9781 299.0217 -16.4048 13.8897 556053.6961 16.5330 16.4892 PRESSURE: 1944200 -11.2908 23.8211 -8.08418 23.8207 -7.38937 44.956 -8.08378 44.9539 -71.9859 GPRESSURE: 1944200 68.7601 25.2477 71.9532 -33.9677 -41.62 49.6153 -66.1374 16.5983 -22.3948 PRESSAVG: 1944200 42.4957 -37.546 -41.799 -37.5461 -65.7623 11.5584 -41.7989 11.5584 -26.6452 GPRESSAVG: 1944200 42.9691 -39.3956 -41.3731 -36.5332 -66.1041 10.4441 -42.7743 12.1683 -27.2885 TIMING: 1944200 CPU: 5805.98, 0.00300434/step Wall: 5805.98, 0.00300434/step, 2.55019 hours remaining, 206.535156 MB of memory in use. ENERGY: 1944200 707.4425 2126.0086 1916.8067 115.2376 -205899.4086 17502.6483 0.0000 0.0000 34247.1163 -149284.1486 299.0886 -183531.2650 -149183.1417 298.9335 -30.2220 1.5817 557126.0742 -16.6372 -16.8078 LDB: ============= START OF LOAD BALANCING ============== 5809.53 LDB: ============== END OF LOAD BALANCING =============== 5809.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5809.53 LDB: ============= START OF LOAD BALANCING ============== 5809.84 LDB: Largest compute 4773 load 0.028498 is 24.1% of average load 0.118135 LDB: Average compute 0.001736 is 1.5% of average load 0.118135 LDB: TIME 5809.84 LOAD: AVG 0.118135 MAX 0.210618 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.621 MB LDB: TIME 5809.84 LOAD: AVG 0.118135 MAX 0.210618 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.621 MB LDB: TIME 5809.84 LOAD: AVG 0.118135 MAX 0.210618 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.621 MB LDB: ============== END OF LOAD BALANCING =============== 5809.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5809.84 PRESSURE: 1944400 -151.069 39.7936 -183.916 39.7918 41.6142 -26.9222 -183.915 -26.9214 -130.761 GPRESSURE: 1944400 -86.0095 -3.35524 -132.528 37.9603 51.4722 11.4574 -280.617 -32.2573 -102.287 PRESSAVG: 1944400 -24.1853 -26.5318 -66.9283 -26.5318 -5.34793 6.45847 -66.9282 6.45842 15.9248 GPRESSAVG: 1944400 -24.9559 -26.0691 -67.7755 -26.1265 -5.1803 6.25828 -64.8393 6.77305 16.8102 TIMING: 1944400 CPU: 5806.59, 0.00305561/step Wall: 5806.59, 0.00305561/step, 2.59354 hours remaining, 206.714844 MB of memory in use. ENERGY: 1944400 754.2317 2081.6754 1944.3187 101.0283 -206136.7290 17880.9981 0.0000 0.0000 34179.7028 -149194.7741 298.4998 -183374.4769 -149105.2546 299.7196 -80.0721 -45.6080 559139.3595 -4.5362 -4.4420 PRESSURE: 1944600 -2.00691 -396.931 163.621 -396.931 127.118 -100.358 163.621 -100.356 54.7336 GPRESSURE: 1944600 44.7538 -444.982 203.442 -391.152 183.193 -129.541 138.48 -98.8012 57.87 PRESSAVG: 1944600 36.1546 -63.5827 -49.0197 -63.5827 -39.8502 3.67921 -49.0197 3.67924 -3.87136 GPRESSAVG: 1944600 35.7193 -63.7617 -47.2429 -66.3712 -38.7642 4.3106 -49.0795 3.14296 -4.41364 TIMING: 1944600 CPU: 5807.19, 0.0029992/step Wall: 5807.19, 0.0029992/step, 2.54549 hours remaining, 206.714844 MB of memory in use. ENERGY: 1944600 743.2605 2054.5575 1935.7857 126.2410 -206496.6218 17956.5001 0.0000 0.0000 34268.8656 -149411.4115 299.2785 -183680.2771 -149317.9123 299.2197 59.9482 95.2723 557600.6200 -2.5224 -2.4862 PRESSURE: 1944800 -279.177 10.5998 -118.28 10.5975 -158.311 9.66681 -118.28 9.66493 -166.337 GPRESSURE: 1944800 -198.428 -30.2499 -84.3427 -41.0284 -127.755 77.7502 -71.0412 -70.1583 -179.111 PRESSAVG: 1944800 -4.28431 -1.954 33.5534 -1.95403 -45.002 34.6564 33.5534 34.6563 34.8018 GPRESSAVG: 1944800 -4.36061 -3.08218 30.9797 1.7929 -45.6865 36.4268 34.1031 33.6797 35.8677 TIMING: 1944800 CPU: 5807.79, 0.00298387/step Wall: 5807.79, 0.00298387/step, 2.53231 hours remaining, 206.714844 MB of memory in use. ENERGY: 1944800 767.3743 2043.0322 1896.4177 99.5228 -206116.9410 17599.7035 0.0000 0.0000 34354.3797 -149356.5107 300.0253 -183710.8904 -149252.1339 299.3148 -201.2749 -168.4313 557354.8047 -4.8282 -4.7265 PRESSURE: 1945000 132.054 54.3711 133.157 54.3709 -91.7904 -97.9904 133.157 -97.9892 -130.306 GPRESSURE: 1945000 166.918 2.39391 200.848 89.2565 -68.6889 -86.4606 114.214 -77.8137 -90.4431 PRESSAVG: 1945000 20.8134 9.56301 62.3374 9.56296 0.43123 38.8893 62.3373 38.8892 9.25744 GPRESSAVG: 1945000 20.7493 10.8856 62.6337 9.06155 1.70675 36.235 62.6988 40.1372 9.12428 TIMING: 1945000 CPU: 5808.38, 0.00295087/step Wall: 5808.38, 0.00295087/step, 2.50414 hours remaining, 206.714844 MB of memory in use. ENERGY: 1945000 758.6017 2102.5781 1943.4709 111.9406 -206365.4990 17971.9586 0.0000 0.0000 34124.1550 -149352.7942 298.0147 -183476.9492 -149259.5192 298.9307 -30.0141 2.5954 557854.1209 10.1674 10.5268 PRESSURE: 1945200 145.45 -55.3488 61.503 -55.3501 42.4721 -60.4039 61.5019 -60.4034 -54.3943 GPRESSURE: 1945200 170.506 -25.2943 56.1231 -19.7398 72.1679 -127.609 89.0057 -20.7541 0.244735 PRESSAVG: 1945200 -21.7935 1.4955 15.2072 1.49539 49.0166 -12.4344 15.2072 -12.4345 -61.8503 GPRESSAVG: 1945200 -22.2191 2.1352 15.3113 0.338606 49.9481 -12.1431 13.505 -12.4785 -61.8018 TIMING: 1945200 CPU: 5808.98, 0.00297264/step Wall: 5808.98, 0.00297265/step, 2.52245 hours remaining, 206.714844 MB of memory in use. ENERGY: 1945200 785.6996 2131.4062 1912.4655 109.2358 -206621.1449 18101.4781 0.0000 0.0000 34171.7681 -149409.0915 298.4305 -183580.8596 -149315.0649 298.5573 44.5092 80.9729 558320.0199 -11.5424 -11.3576 PRESSURE: 1945400 -204.129 58.784 95.4765 58.7843 -78.6196 93.3066 95.4765 93.3065 128.805 GPRESSURE: 1945400 -134.792 44.3344 123.113 49.6099 -8.47392 74.5705 114.915 130.306 81.2917 PRESSAVG: 1945400 19.5339 -28.1724 -41.5371 -28.1724 16.77 4.12406 -41.5371 4.1241 -11.2337 GPRESSAVG: 1945400 20.1339 -29.5747 -40.1683 -27.1876 15.7097 4.16814 -42.1991 3.08343 -10.9326 TIMING: 1945400 CPU: 5809.57, 0.00298538/step Wall: 5809.57, 0.00298538/step, 2.53309 hours remaining, 206.714844 MB of memory in use. ENERGY: 1945400 768.4501 2115.8207 1915.1784 110.6417 -206266.0224 17749.3531 0.0000 0.0000 34233.9014 -149372.6770 298.9732 -183606.5784 -149286.2344 298.4720 -51.3147 -20.6580 558174.0060 8.3567 8.3036 PRESSURE: 1945600 -49.9478 18.6134 -95.9507 18.6139 -185.328 -136.53 -95.9495 -136.53 -245.589 GPRESSURE: 1945600 -5.7051 34.0523 -119.051 -39.9946 -120.899 -164.333 -127.68 -86.4169 -256.68 PRESSAVG: 1945600 -46.7307 -14.5748 7.99383 -14.575 25.6995 -8.03068 7.99382 -8.03058 -4.833 GPRESSAVG: 1945600 -45.7749 -14.5194 7.26553 -15.412 24.7517 -8.53361 9.76198 -8.89807 -4.51015 TIMING: 1945600 CPU: 5810.16, 0.00296122/step Wall: 5810.16, 0.00296122/step, 2.51243 hours remaining, 206.714844 MB of memory in use. ENERGY: 1945600 760.1169 2108.8529 1898.9275 113.2291 -205992.8481 17692.3409 0.0000 0.0000 34126.2729 -149293.1078 298.0332 -183419.3807 -149196.7969 298.3465 -160.2883 -127.7612 559018.9856 -8.6214 -8.5111 PRESSURE: 1945800 298.041 -111.808 19.0009 -111.809 -16.6652 -56.0971 19.0007 -56.097 20.2635 GPRESSURE: 1945800 375.067 -86.4631 -97.1429 -168.527 -6.70371 -38.6731 134.175 -16.7368 19.5712 PRESSAVG: 1945800 14.2882 -73.2949 -11.1147 -73.2949 -19.6973 -8.60058 -11.1147 -8.6006 -27.4019 GPRESSAVG: 1945800 15.1186 -71.7029 -10.6943 -72.5656 -18.979 -6.39058 -10.8475 -6.83522 -28.4881 TIMING: 1945800 CPU: 5810.76, 0.00295072/step Wall: 5810.76, 0.00295072/step, 2.50336 hours remaining, 206.714844 MB of memory in use. ENERGY: 1945800 726.8010 2050.1749 1935.9232 114.8914 -206445.0232 18044.4644 0.0000 0.0000 34385.9471 -149186.8213 300.3010 -183572.7684 -149084.9865 298.8800 100.5464 129.3115 558007.6527 -10.9370 -10.7829 PRESSURE: 1946000 -119.649 92.3137 149.581 92.3146 -126.235 -37.2975 149.58 -37.2964 -113.212 GPRESSURE: 1946000 -137.864 78.3937 16.0651 86.0397 -82.2514 -5.19135 215.501 -95.8135 -43.5631 PRESSAVG: 1946000 67.1268 25.6147 26.5415 25.6147 -43.8233 -43.9924 26.5415 -43.9925 44.4271 GPRESSAVG: 1946000 65.7119 24.0094 27.6948 25.6062 -43.0559 -43.1244 25.9661 -45.5377 45.0828 TIMING: 1946000 CPU: 5811.34, 0.00294682/step Wall: 5811.34, 0.00294682/step, 2.49989 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1946000 745.8977 2143.1790 1940.6878 99.1992 -206423.9351 17787.6233 0.0000 0.0000 34627.4216 -149079.9264 302.4099 -183707.3481 -148989.8784 299.7827 -119.6988 -87.8929 556819.0405 22.5769 22.5796 PRESSURE: 1946200 -192.364 51.9524 -115.528 51.9536 -46.7995 -68.4817 -115.529 -68.4827 6.18413 GPRESSURE: 1946200 -189.445 -19.3247 -105.261 91.516 0.876694 -88.2772 -61.9503 -120.507 51.3812 PRESSAVG: 1946200 -5.05107 2.21843 -7.88146 2.21854 -0.713922 -26.1907 -7.88146 -26.1907 22.1672 GPRESSAVG: 1946200 -4.56485 0.523983 -9.28502 3.00886 -0.613046 -28.3492 -7.25148 -25.3781 21.7061 TIMING: 1946200 CPU: 5811.94, 0.00297509/step Wall: 5811.94, 0.00297509/step, 2.52371 hours remaining, 206.714844 MB of memory in use. ENERGY: 1946200 723.0267 2108.1147 1906.5350 109.6201 -205857.4611 17606.5122 0.0000 0.0000 34317.9115 -149085.7409 299.7069 -183403.6524 -148989.3907 299.6517 -77.6599 -45.7289 558009.7384 5.4674 5.5094 PRESSURE: 1946400 32.4903 -51.8196 81.988 -51.8202 133.276 46.7265 81.9877 46.7256 -83.076 GPRESSURE: 1946400 85.6611 -31.5782 74.7346 -70.9849 146.853 13.1629 15.3282 137.699 -75.2543 PRESSAVG: 1946400 18.331 -62.6644 -35.9495 -62.6644 24.4793 -2.67855 -35.9494 -2.67866 -3.15804 GPRESSAVG: 1946400 18.0447 -59.6626 -34.6325 -62.9253 23.3931 -2.48507 -37.2415 -1.27111 -2.10328 TIMING: 1946400 CPU: 5812.54, 0.00299101/step Wall: 5812.54, 0.00299101/step, 2.53704 hours remaining, 206.714844 MB of memory in use. ENERGY: 1946400 738.7963 2116.1315 1918.9607 114.6936 -205680.6154 17599.4494 0.0000 0.0000 34276.0555 -148916.5283 299.3413 -183192.5838 -148814.9291 299.9377 27.5635 52.4200 556631.4107 13.2174 13.1115 PRESSURE: 1946600 -89.4205 -19.8439 70.9014 -19.8437 -104.909 -70.82 70.899 -70.8202 -459.294 GPRESSURE: 1946600 -69.5676 -73.495 -9.55031 48.9743 -50.5163 -125.315 95.7574 -31.1404 -445.597 PRESSAVG: 1946600 69.2817 -17.5912 -7.15642 -17.5912 -15.0085 -8.96855 -7.15641 -8.96848 -26.9423 GPRESSAVG: 1946600 68.9575 -17.9613 -9.60831 -17.3253 -14.6193 -9.82198 -7.18625 -9.88665 -27.0159 TIMING: 1946600 CPU: 5813.14, 0.00298888/step Wall: 5813.14, 0.00298888/step, 2.53507 hours remaining, 206.714844 MB of memory in use. ENERGY: 1946600 734.9028 2117.9323 1903.1388 110.1305 -205769.1490 17518.0592 0.0000 0.0000 34511.0549 -148873.9305 301.3936 -183384.9854 -148770.4549 300.5299 -217.8746 -188.5604 557798.2053 9.1103 9.1074 PRESSURE: 1946800 98.6822 -31.4243 -3.69218 -31.4241 -233.978 42.7092 -3.69155 42.7104 -31.0703 GPRESSURE: 1946800 113.555 -68.4321 16.7179 -33.4861 -228.795 -1.50748 22.4162 -7.25222 47.4114 PRESSAVG: 1946800 11.3844 -1.22356 29.2038 -1.22367 6.8024 -25.8193 29.2039 -25.8193 -14.6429 GPRESSAVG: 1946800 10.7398 -0.915996 30.105 -1.85923 6.85977 -25.6805 29.9205 -26.4832 -14.4269 TIMING: 1946800 CPU: 5813.74, 0.00300957/step Wall: 5813.74, 0.00300957/step, 2.55245 hours remaining, 206.714844 MB of memory in use. ENERGY: 1946800 759.2569 2110.3525 1899.5253 105.8008 -205802.6662 17864.8619 0.0000 0.0000 34141.8945 -148920.9742 298.1697 -183062.8687 -148822.5100 299.9487 -55.4552 -22.6097 558329.2193 1.1813 1.0576 PRESSURE: 1947000 -314.615 78.4984 -128.148 78.498 -183.4 92.6857 -128.146 92.6855 -125.801 GPRESSURE: 1947000 -260.252 108.68 -135.004 38.5257 -167.705 81.5081 -105.041 39.9864 -100.575 PRESSAVG: 1947000 -28.3943 -7.76275 10.0216 -7.7627 -4.51697 36.2871 10.0217 36.287 31.2176 GPRESSAVG: 1947000 -26.4025 -7.7029 11.1323 -9.43704 -4.57753 36.5784 9.17273 35.2449 29.548 TIMING: 1947000 CPU: 5814.34, 0.00301826/step Wall: 5814.34, 0.00301825/step, 2.55965 hours remaining, 206.714844 MB of memory in use. ENERGY: 1947000 787.9428 2038.3042 1940.7576 104.9663 -205953.1409 17748.8785 0.0000 0.0000 34471.3587 -148860.9327 301.0469 -183332.2915 -148765.0368 299.9309 -207.9386 -176.1774 559086.4359 -0.5646 -0.4774 PRESSURE: 1947200 -94.5257 20.2672 -36.9878 20.267 -258.26 104.518 -36.9878 104.518 -60.8697 GPRESSURE: 1947200 -70.469 80.9251 -32.2952 36.0205 -193.482 155.19 -97.2025 59.6184 -37.6006 PRESSAVG: 1947200 -7.11445 -12.7314 -7.70393 -12.7315 30.0947 -9.03472 -7.70382 -9.0347 -0.969136 GPRESSAVG: 1947200 -8.68745 -12.1272 -7.61046 -11.176 30.1015 -9.20936 -7.55597 -8.29804 0.510114 TIMING: 1947200 CPU: 5814.94, 0.0029967/step Wall: 5814.94, 0.0029967/step, 2.5412 hours remaining, 206.714844 MB of memory in use. ENERGY: 1947200 743.3539 2102.1772 1956.0002 112.5577 -205867.1496 17693.0117 0.0000 0.0000 34362.8808 -148897.1680 300.0996 -183260.0488 -148802.0981 300.2537 -137.8852 -100.5171 559702.6594 7.3370 7.3081 PRESSURE: 1947400 -12.7636 61.2226 -0.528859 61.2232 -316.563 2.99007 -0.528037 2.99072 12.9555 GPRESSURE: 1947400 -15.1716 29.5705 -56.1834 -1.75322 -271.927 13.6215 48.3135 -30.137 60.0458 PRESSAVG: 1947400 0.362912 -14.8957 -34.5475 -14.8956 20.8072 9.88163 -34.5476 9.88171 -19.1503 GPRESSAVG: 1947400 0.590504 -16.7957 -35.271 -14.4895 20.8359 10.2968 -33.6535 11.0537 -19.3506 TIMING: 1947400 CPU: 5815.54, 0.00298021/step Wall: 5815.54, 0.00298021/step, 2.52705 hours remaining, 206.714844 MB of memory in use. ENERGY: 1947400 737.6194 2130.4881 1934.6801 108.0676 -205692.7583 17547.0511 0.0000 0.0000 34429.5257 -148805.3264 300.6816 -183234.8521 -148708.3268 300.3203 -105.4569 -75.6842 558829.5384 0.6733 0.6919 PRESSURE: 1947600 180.823 -84.344 -139.401 -84.3437 367.793 56.1235 -139.402 56.1223 16.0834 GPRESSURE: 1947600 186.693 -137.533 -141.549 -30.1749 436.43 102.706 -84.5108 -12.3944 54.0247 PRESSAVG: 1947600 2.46911 4.81688 -98.4624 4.81684 28.2818 43.2498 -98.4625 43.2498 -11.3332 GPRESSAVG: 1947600 1.61371 4.16022 -97.1349 3.87319 29.0367 42.7705 -98.8095 41.7919 -10.9722 TIMING: 1947600 CPU: 5816.13, 0.00297865/step Wall: 5816.13, 0.00297865/step, 2.52556 hours remaining, 206.714844 MB of memory in use. ENERGY: 1947600 779.7279 2103.1058 1956.1834 123.6379 -206058.5615 17989.5467 0.0000 0.0000 34369.8347 -148736.5251 300.1603 -183106.3598 -148647.5397 300.1062 188.2332 225.7160 557208.4173 6.4726 6.5594 PRESSURE: 1947800 -65.8707 142.717 90.8276 142.717 -16.8254 -54.031 90.827 -54.0318 -127.65 GPRESSURE: 1947800 -40.9156 80.5592 18.3829 139.662 -0.962724 -3.10199 118.733 80.242 -68.8204 PRESSAVG: 1947800 55.1106 24.9028 -32.212 24.9029 -60.8107 37.6331 -32.212 37.6331 4.30404 GPRESSAVG: 1947800 56.5627 25.746 -34.9497 25.516 -61.4539 38.1526 -31.7577 37.4649 3.97937 TIMING: 1947800 CPU: 5816.72, 0.00295726/step Wall: 5816.72, 0.00295726/step, 2.50727 hours remaining, 206.714844 MB of memory in use. ENERGY: 1947800 757.6267 2148.8889 1924.0043 116.7347 -206036.2148 17908.1786 0.0000 0.0000 34514.1560 -148666.6257 301.4207 -183180.7817 -148576.9832 300.0375 -70.1153 -36.8996 559670.8948 -0.4653 -0.3039 PRESSURE: 1948000 -97.0351 107.148 -28.2194 107.147 7.66721 -59.7816 -28.2181 -59.7789 -31.4063 GPRESSURE: 1948000 -14.0433 86.0145 54.9172 175.011 -4.82264 27.1486 -55.794 -142.857 -10.3502 PRESSAVG: 1948000 86.3719 100.721 53.0585 100.721 -66.8057 -40.7202 53.0585 -40.7203 -23.3581 GPRESSAVG: 1948000 87.7239 101.475 53.1861 100.002 -67.4187 -41.2743 52.9286 -38.3471 -24.2595 TIMING: 1948000 CPU: 5817.32, 0.00297672/step Wall: 5817.32, 0.00297672/step, 2.5236 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1948000 782.8382 2117.6180 1917.6278 122.5291 -206085.5711 17971.6449 0.0000 0.0000 34336.3818 -148836.9314 299.8682 -183173.3132 -148732.3516 299.7235 -40.2580 -9.7387 559816.3527 -1.2639 -1.3181 PRESSURE: 1948200 183.947 -88.9276 31.1763 -88.9274 -40.7516 7.61537 31.1755 7.61644 -128.17 GPRESSURE: 1948200 240.889 -158.366 73.2926 -147.526 -8.39091 29.1314 -53.1137 -5.16474 -111.305 PRESSAVG: 1948200 22.8235 59.4743 8.43572 59.4744 -21.3897 33.8255 8.43563 33.8256 -17.1176 GPRESSAVG: 1948200 22.1022 58.9808 9.10507 58.8322 -20.1835 34.475 9.67873 30.7141 -17.5062 TIMING: 1948200 CPU: 5817.92, 0.00299146/step Wall: 5817.92, 0.00299146/step, 2.53593 hours remaining, 206.714844 MB of memory in use. ENERGY: 1948200 788.1476 2052.7252 1924.4983 98.8072 -205887.5589 17869.9543 0.0000 0.0000 34392.9509 -148760.4754 300.3622 -183153.4263 -148657.6959 300.3656 5.0086 40.3978 559790.5867 -5.2279 -5.1958 LDB: ============= START OF LOAD BALANCING ============== 5821.47 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5821.47 LDB: =============== DONE WITH MIGRATION ================ 5821.47 LDB: ============= START OF LOAD BALANCING ============== 5821.77 LDB: Largest compute 4773 load 0.027891 is 23.6% of average load 0.118174 LDB: Average compute 0.001738 is 1.5% of average load 0.118174 LDB: TIME 5821.77 LOAD: AVG 0.118174 MAX 0.20741 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 5821.77 LOAD: AVG 0.118174 MAX 0.20741 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 5821.77 LOAD: AVG 0.118174 MAX 0.20741 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5821.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5821.77 PRESSURE: 1948400 209.258 -24.5611 -101.7 -24.56 -10.4422 60.6833 -101.701 60.6819 -90.209 GPRESSURE: 1948400 254.23 -19.1944 -4.91678 -48.7254 28.0624 36.6588 -125.874 93.9004 -77.8353 PRESSAVG: 1948400 18.2172 -27.8574 33.4588 -27.8573 -3.86286 6.09991 33.4588 6.09991 -6.60233 GPRESSAVG: 1948400 18.067 -27.952 35.1053 -27.1414 -4.17114 5.55309 32.5427 7.85346 -6.17231 TIMING: 1948400 CPU: 5818.52, 0.00303232/step Wall: 5818.52, 0.00303232/step, 2.5704 hours remaining, 207.226562 MB of memory in use. ENERGY: 1948400 761.4470 2059.2525 1959.2470 110.5415 -206080.2427 17956.8305 0.0000 0.0000 34287.7214 -148945.2028 299.4432 -183232.9242 -148853.2160 300.0297 36.2023 68.1525 559345.6022 2.5840 2.5745 PRESSURE: 1948600 -106.219 63.1341 27.712 63.1331 -448.551 -23.7137 27.7127 -23.713 -298.77 GPRESSURE: 1948600 -114.093 35.8943 37.3706 61.3776 -387.183 1.21523 39.5967 -84.1624 -252.003 PRESSAVG: 1948600 25.6172 -21.9255 44.4614 -21.9254 -23.1977 -9.96455 44.4614 -9.96464 8.57658 GPRESSAVG: 1948600 25.5064 -22.6735 42.7318 -22.6826 -23.4931 -9.43754 45.2424 -10.8035 8.84685 TIMING: 1948600 CPU: 5819.12, 0.0029727/step Wall: 5819.12, 0.0029727/step, 2.5197 hours remaining, 207.226562 MB of memory in use. ENERGY: 1948600 749.2441 2094.6557 1934.1458 115.6135 -205457.9805 17319.3237 0.0000 0.0000 34228.7817 -149016.2159 298.9285 -183244.9977 -148918.1617 299.9411 -284.5136 -251.0928 560334.7619 3.6654 3.6201 PRESSURE: 1948800 -88.2476 -24.7731 -209.682 -24.7726 -206.475 -5.56302 -209.681 -5.56531 -22.8581 GPRESSURE: 1948800 -70.1951 -8.32705 -207.161 28.1125 -136.325 21.5422 -166.142 40.524 -6.04069 PRESSAVG: 1948800 -17.1517 2.87157 13.5952 2.87145 -44.5254 25.4049 13.5952 25.4048 36.9772 GPRESSAVG: 1948800 -17.4705 3.25539 13.3305 3.97715 -44.2792 24.5249 14.3265 26.1529 37.3407 TIMING: 1948800 CPU: 5819.72, 0.00302451/step Wall: 5819.72, 0.00302451/step, 2.56344 hours remaining, 207.226562 MB of memory in use. ENERGY: 1948800 764.4565 2015.5199 1900.3157 120.3577 -205876.3079 17778.1325 0.0000 0.0000 34495.0799 -148802.4457 301.2541 -183297.5256 -148702.9798 299.6577 -105.8602 -70.8535 559888.4842 -8.2333 -8.1363 PRESSURE: 1949000 -58.0139 10.0497 -252.039 10.0498 79.7567 -150.91 -252.04 -150.908 154.81 GPRESSURE: 1949000 27.691 62.2259 -275.337 -33.0946 77.1691 -114.562 -192.433 -148.15 181.062 PRESSAVG: 1949000 7.80079 -23.4929 -60.527 -23.4929 11.9201 -14.561 -60.5271 -14.5609 -7.88006 GPRESSAVG: 1949000 8.30792 -24.1397 -58.7291 -21.3522 11.2716 -13.6865 -60.5877 -15.4606 -7.36036 TIMING: 1949000 CPU: 5820.32, 0.00300467/step Wall: 5820.32, 0.00300467/step, 2.54646 hours remaining, 207.226562 MB of memory in use. ENERGY: 1949000 752.7538 2068.9300 1902.1772 106.1307 -205662.2926 17760.3823 0.0000 0.0000 34317.7353 -148754.1832 299.7053 -183071.9186 -148660.4235 300.1202 58.8510 95.3075 556554.1578 3.9469 4.0730 PRESSURE: 1949200 -41.9003 29.0863 58.2603 29.0855 -64.5966 -149.093 58.26 -149.094 -106.602 GPRESSURE: 1949200 -2.56635 59.4248 89.2363 -47.8611 -30.2509 -68.7296 83.8574 -178.036 -86.0082 PRESSAVG: 1949200 10.8674 4.04347 -14.4591 4.04348 -70.9923 -9.91824 -14.4592 -9.91832 13.3887 GPRESSAVG: 1949200 9.31067 6.06291 -15.2698 2.39422 -70.7355 -12.3871 -14.0007 -8.33534 14.3413 TIMING: 1949200 CPU: 5820.93, 0.00301119/step Wall: 5820.93, 0.00301119/step, 2.55182 hours remaining, 207.226562 MB of memory in use. ENERGY: 1949200 778.7608 2007.2459 1905.6284 111.6203 -205786.9925 17740.5799 0.0000 0.0000 34477.9217 -148765.2354 301.1043 -183243.1572 -148665.1656 300.5635 -71.0331 -39.6085 557958.0594 -15.5788 -15.6945 PRESSURE: 1949400 351.515 24.1832 -137.454 24.1822 35.2699 -72.2104 -137.454 -72.2117 98.531 GPRESSURE: 1949400 372.896 -18.3562 -210.088 -53.988 41.6318 -61.2484 -135.455 -145.676 163.213 PRESSAVG: 1949400 59.8589 -60.4955 -9.31812 -60.4954 -6.8516 -23.3739 -9.31821 -23.374 -40.0609 GPRESSAVG: 1949400 60.0487 -62.9687 -8.13224 -57.9758 -6.82698 -20.8992 -10.5179 -23.4761 -40.1276 TIMING: 1949400 CPU: 5821.52, 0.00298642/step Wall: 5821.52, 0.00298642/step, 2.53066 hours remaining, 207.226562 MB of memory in use. ENERGY: 1949400 728.2982 2143.2397 1917.5804 102.5581 -205596.5588 17823.7910 0.0000 0.0000 34356.2694 -148524.8220 300.0418 -182881.0915 -148428.8983 300.1797 161.7721 192.5802 558735.7316 4.3155 4.3647 PRESSURE: 1949600 -231.313 155.086 -67.1932 155.086 -238.012 59.6522 -67.1923 59.6526 -2.1719 GPRESSURE: 1949600 -199.39 166.346 -40.6556 103.95 -182.438 58.9736 -161.4 58.2119 3.04342 PRESSAVG: 1949600 -49.5926 -45.8136 -4.93811 -45.8136 43.2964 -46.6289 -4.93821 -46.6288 -15.5517 GPRESSAVG: 1949600 -48.5718 -45.6723 -5.25861 -47.9317 42.9702 -45.6801 -6.6953 -45.7233 -15.986 TIMING: 1949600 CPU: 5822.12, 0.00299281/step Wall: 5822.12, 0.00299281/step, 2.5359 hours remaining, 207.226562 MB of memory in use. ENERGY: 1949600 729.8836 2147.8341 1916.5059 107.2497 -205636.2133 17543.4724 0.0000 0.0000 34538.4734 -148652.7942 301.6331 -183191.2676 -148558.3458 301.4721 -157.1655 -126.2618 559301.0495 -7.2827 -7.1959 PRESSURE: 1949800 -88.7236 32.3025 -101.069 32.3032 94.2613 5.42866 -101.07 5.43008 76.3943 GPRESSURE: 1949800 -113.806 -7.20493 -74.3887 26.6906 108.176 -19.932 -67.2489 136.989 188.714 PRESSAVG: 1949800 0.119416 -16.7284 -8.18247 -16.7283 -32.6435 -49.5099 -8.18245 -49.5098 -4.49802 GPRESSAVG: 1949800 -0.414242 -15.5359 -8.32103 -17.088 -32.9182 -48.8621 -5.30652 -50.3759 -3.61335 TIMING: 1949800 CPU: 5822.73, 0.0030144/step Wall: 5822.73, 0.0030144/step, 2.55404 hours remaining, 207.226562 MB of memory in use. ENERGY: 1949800 771.7096 2141.4848 1928.2083 118.5695 -206003.4370 17890.3013 0.0000 0.0000 34461.1331 -148692.0304 300.9576 -183153.1636 -148597.0283 300.7492 27.3107 61.0278 558140.2943 -12.3407 -12.3153 PRESSURE: 1950000 25.5741 23.7946 127.022 23.7942 -214.422 -84.9393 127.023 -84.9403 446.414 GPRESSURE: 1950000 66.8718 128.214 105.18 -0.534059 -166.49 -106.386 148.127 -38.7292 448.687 PRESSAVG: 1950000 -0.0262125 6.53878 -5.23635 6.53877 -85.6663 -15.9584 -5.23644 -15.9585 79.101 GPRESSAVG: 1950000 -0.693739 5.92999 -6.09519 8.12544 -84.1075 -17.8467 -4.41985 -15.9306 78.2618 TIMING: 1950000 CPU: 5823.33, 0.00300485/step Wall: 5823.33, 0.00300485/step, 2.54578 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1950000 758.0561 2056.0827 1898.6535 111.9742 -205856.0814 17933.7587 0.0000 0.0000 34301.7121 -148795.8440 299.5654 -183097.5562 -148699.2934 300.4088 85.8555 116.3562 559018.4606 -2.1972 -2.1798 PRESSURE: 1950200 -353.014 -146.761 -45.4013 -146.76 -38.4345 -62.5083 -45.4015 -62.5078 -1.21154 GPRESSURE: 1950200 -293.588 -84.9074 -80.5439 -111.062 -26.0788 -93.1667 -38.8811 -49.5779 21.8282 PRESSAVG: 1950200 10.5468 13.6431 31.4516 13.6431 -16.6583 -12.7123 31.4517 -12.7123 23.381 GPRESSAVG: 1950200 11.9409 14.1659 31.0639 12.9171 -17.7767 -12.661 30.8172 -13.1366 23.5407 TIMING: 1950200 CPU: 5823.92, 0.00299224/step Wall: 5823.92, 0.00299224/step, 2.53493 hours remaining, 207.226562 MB of memory in use. ENERGY: 1950200 781.4497 2106.0830 1947.1900 126.3095 -205693.1928 17749.2754 0.0000 0.0000 34068.4601 -148914.4250 297.5283 -182982.8852 -148819.4368 299.8917 -130.8867 -99.2795 558989.1415 5.7565 5.9016 PRESSURE: 1950400 104.169 43.6417 211.532 43.6417 -156.266 45.5449 211.532 45.5446 -48.7572 GPRESSURE: 1950400 78.6159 18.7572 187.076 45.6604 -81.9236 144.892 273.188 -18.1723 0.0271434 PRESSAVG: 1950400 -32.1709 1.72481 -15.677 1.72476 2.77243 -18.2183 -15.6769 -18.2183 -6.53769 GPRESSAVG: 1950400 -33.688 -0.29626 -14.4221 0.903648 2.18474 -18.6738 -17.6736 -18.1827 -5.32346 TIMING: 1950400 CPU: 5824.52, 0.00298398/step Wall: 5824.52, 0.00298398/step, 2.52776 hours remaining, 207.226562 MB of memory in use. ENERGY: 1950400 736.5697 2080.0585 1898.7530 120.1437 -206111.5734 17675.4042 0.0000 0.0000 34609.9095 -148990.7349 302.2569 -183600.6444 -148893.6612 299.9541 -33.6179 -1.0935 560454.3260 -11.9787 -12.2756 PRESSURE: 1950600 26.4859 95.0184 -19.4519 95.0193 153.394 32.8184 -19.451 32.8198 -230.757 GPRESSURE: 1950600 23.1596 22.0343 -61.8828 160.302 165.226 -86.724 39.316 72.9821 -140.953 PRESSAVG: 1950600 -64.9972 49.8391 3.09205 49.8392 -0.755588 -1.60278 3.09209 -1.60275 92.4278 GPRESSAVG: 1950600 -64.8469 50.4749 2.17442 50.2196 -0.60252 -1.4005 4.3261 -1.03211 92.3745 TIMING: 1950600 CPU: 5825.12, 0.00300954/step Wall: 5825.12, 0.00300954/step, 2.54924 hours remaining, 207.226562 MB of memory in use. ENERGY: 1950600 731.0366 2121.3989 1937.9907 107.4462 -206127.5686 17913.8614 0.0000 0.0000 34406.8115 -148909.0232 300.4832 -183315.8347 -148807.7501 300.0249 -16.9589 15.8108 560218.0925 8.8917 8.9750 PRESSURE: 1950800 -19.275 42.9404 48.6117 42.9401 -156.899 -42.5057 48.6126 -42.5057 100.597 GPRESSURE: 1950800 -16.3585 -66.283 40.5637 45.1356 -99.5974 -106.661 116.026 106.371 140.832 PRESSAVG: 1950800 5.06162 37.3774 5.66698 37.3774 -67.5057 20.9596 5.66693 20.9595 17.4604 GPRESSAVG: 1950800 5.51597 37.4904 6.35166 37.0586 -67.2251 19.7044 4.19719 22.903 17.1162 TIMING: 1950800 CPU: 5825.72, 0.00297981/step Wall: 5825.72, 0.00297981/step, 2.5239 hours remaining, 207.226562 MB of memory in use. ENERGY: 1950800 731.2325 2050.2830 1918.1885 118.2147 -205738.7398 17566.4231 0.0000 0.0000 34381.7327 -148972.6653 300.2642 -183354.3979 -148874.8302 300.2327 -25.1921 8.2922 559238.1219 -14.9946 -14.8643 PRESSURE: 1951000 248.148 27.6158 147.638 27.616 -12.8098 -54.2774 147.639 -54.2766 -133.203 GPRESSURE: 1951000 234.737 79.6033 125.34 36.4412 33.8678 -95.9508 198.166 -63.3975 -72.499 PRESSAVG: 1951000 4.76774 33.61 2.7204 33.61 -19.5972 15.1312 2.72043 15.1312 5.55612 GPRESSAVG: 1951000 3.93871 35.1946 0.956815 34.5955 -19.5019 14.2375 6.14784 14.2714 6.22465 TIMING: 1951000 CPU: 5826.32, 0.00299622/step Wall: 5826.32, 0.00299622/step, 2.53763 hours remaining, 207.226562 MB of memory in use. ENERGY: 1951000 728.8222 2097.3265 1929.2812 112.2161 -205586.7618 17644.2148 0.0000 0.0000 34103.7764 -148971.1246 297.8368 -183074.9010 -148881.1123 299.8500 34.0449 65.3686 558926.1830 -3.0911 -3.1129 PRESSURE: 1951200 12.5551 92.3219 -137.042 92.321 28.7776 73.5335 -137.044 73.5325 -487.366 GPRESSURE: 1951200 90.1338 15.8882 -128.287 174.924 29.2959 11.4166 -85.2182 111.989 -474.285 PRESSAVG: 1951200 8.92562 21.7818 -6.29706 21.7819 74.2739 -45.9493 -6.2971 -45.9491 -77.5283 GPRESSAVG: 1951200 9.62114 20.1677 -4.96394 20.803 75.0729 -43.7608 -9.46882 -45.5458 -78.9462 TIMING: 1951200 CPU: 5826.91, 0.00295896/step Wall: 5826.91, 0.00295896/step, 2.50591 hours remaining, 207.226562 MB of memory in use. ENERGY: 1951200 730.5372 2102.5054 1912.9087 117.4189 -205907.6238 17613.3459 0.0000 0.0000 34263.0299 -149167.8779 299.2276 -183430.9078 -149069.8938 298.7615 -148.6778 -118.2851 557543.5261 1.8904 1.9159 PRESSURE: 1951400 185.92 53.4074 -19.4992 53.4081 -203.739 -136.316 -19.4999 -136.315 -41.5776 GPRESSURE: 1951400 137.28 100.661 -23.0561 78.6509 -169.918 -91.795 1.29376 -81.5414 74.849 PRESSAVG: 1951400 37.563 -16.4614 -18.723 -16.4614 7.2553 -62.8322 -18.723 -62.8322 -37.3337 GPRESSAVG: 1951400 37.6867 -15.9345 -19.7532 -14.953 6.6714 -62.1241 -17.4949 -65.8208 -36.8472 TIMING: 1951400 CPU: 5827.51, 0.00297882/step Wall: 5827.51, 0.00297882/step, 2.52256 hours remaining, 207.226562 MB of memory in use. ENERGY: 1951400 738.8703 2086.2558 1927.1268 118.7375 -206245.4656 17923.0368 0.0000 0.0000 34327.5893 -149123.8491 299.7914 -183451.4384 -149032.4695 299.4884 -19.7988 14.0704 558347.1552 2.4949 2.5036 PRESSURE: 1951600 339.983 93.3443 157.542 93.3429 313.792 30.8907 157.542 30.8914 104.719 GPRESSURE: 1951600 417.058 58.1565 72.1032 152.044 281.063 -34.8225 182.457 25.6078 152.415 PRESSAVG: 1951600 63.4743 -0.656468 41.2367 -0.65635 -61.9908 -32.9765 41.2366 -32.9767 -30.6545 GPRESSAVG: 1951600 63.9627 -0.495228 40.7046 -1.18551 -62.2193 -33.1643 42.0192 -31.4346 -31.1323 TIMING: 1951600 CPU: 5828.1, 0.0029629/step Wall: 5828.1, 0.0029629/step, 2.50892 hours remaining, 207.226562 MB of memory in use. ENERGY: 1951600 741.3750 2068.4719 1929.8866 128.8804 -206202.9293 18111.8562 0.0000 0.0000 34179.3109 -149043.1483 298.4964 -183222.4592 -148948.7970 299.5496 252.8316 283.5119 558170.8636 -9.7237 -9.7963 PRESSURE: 1951800 228.384 15.4609 -53.1699 15.4612 10.5121 164.156 -53.1704 164.157 -69.3567 GPRESSURE: 1951800 229.229 -37.9585 -47.2596 78.6743 75.8726 72.0526 -142.768 163.875 -41.9842 PRESSAVG: 1951800 54.1039 -38.0247 18.4366 -38.0247 -2.19472 -10.8909 18.4365 -10.891 -101.033 GPRESSAVG: 1951800 52.5805 -37.0206 19.176 -38.1818 -1.96744 -10.3897 17.5827 -9.57739 -99.7423 TIMING: 1951800 CPU: 5828.7, 0.00298458/step Wall: 5828.7, 0.00298458/step, 2.52711 hours remaining, 207.226562 MB of memory in use. ENERGY: 1951800 784.4156 2144.8479 1954.3963 113.0346 -206530.1296 18117.6932 0.0000 0.0000 34429.9634 -148985.7786 300.6854 -183415.7420 -148888.5773 300.4796 56.5132 87.7057 557587.6422 -16.3745 -16.3764 PRESSURE: 1952000 -220.862 2.67512 -21.4413 2.67536 -29.2988 58.9338 -21.4419 58.9335 -93.3619 GPRESSURE: 1952000 -180.428 24.0176 -59.5829 -51.0781 -10.9629 27.0665 -34.798 38.3417 -51.3112 PRESSAVG: 1952000 56.0873 -20.5889 -27.581 -20.5888 -0.689443 46.5648 -27.581 46.5647 -32.5899 GPRESSAVG: 1952000 56.7584 -22.3829 -26.8689 -20.0089 -0.391018 45.9146 -27.5595 44.7665 -33.9237 TIMING: 1952000 CPU: 5829.29, 0.00296105/step Wall: 5829.29, 0.00296105/step, 2.50703 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1952000 796.7772 2090.3974 1925.4604 111.6509 -206106.3418 17652.7035 0.0000 0.0000 34167.3769 -149361.9755 298.3922 -183529.3524 -149267.7033 299.0002 -114.5077 -80.9008 556880.5410 7.6027 7.4812 PRESSURE: 1952200 57.7999 23.6928 10.5522 23.6935 -68.3516 -3.57872 10.5541 -3.57849 -98.5138 GPRESSURE: 1952200 86.3742 74.3545 27.5147 21.1843 -34.5738 -17.6946 -8.33671 -44.4313 -64.5284 PRESSAVG: 1952200 -45.0289 4.42877 28.1867 4.42871 -32.8512 -21.0045 28.1867 -21.0045 46.2031 GPRESSAVG: 1952200 -45.5019 3.59362 28.5221 5.87583 -32.6039 -20.6111 26.4926 -22.3584 46.3517 TIMING: 1952200 CPU: 5829.88, 0.00297844/step Wall: 5829.88, 0.00297844/step, 2.52158 hours remaining, 207.226562 MB of memory in use. ENERGY: 1952200 745.1601 2151.2566 1919.0597 110.5750 -206123.1355 17798.6043 0.0000 0.0000 34435.6131 -148962.8668 300.7348 -183398.4798 -148863.5953 299.8006 -36.3552 -4.2427 557404.9083 -10.5590 -10.5847 LDB: ============= START OF LOAD BALANCING ============== 5833.43 LDB: ============== END OF LOAD BALANCING =============== 5833.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5833.43 LDB: ============= START OF LOAD BALANCING ============== 5833.73 LDB: Largest compute 4773 load 0.027727 is 23.5% of average load 0.118164 LDB: Average compute 0.001732 is 1.5% of average load 0.118164 LDB: TIME 5833.73 LOAD: AVG 0.118164 MAX 0.210496 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 5833.73 LOAD: AVG 0.118164 MAX 0.210496 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: TIME 5833.73 LOAD: AVG 0.118164 MAX 0.210496 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5833.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5833.74 PRESSURE: 1952400 9.03917 -46.1502 -28.4893 -46.1506 -324.215 18.8607 -28.4893 18.8601 27.7376 GPRESSURE: 1952400 26.0053 -105.007 -11.2457 41.5202 -303.672 -2.10913 -26.1435 4.19269 85.2457 PRESSAVG: 1952400 55.7243 11.9609 8.14372 11.9609 -60.5592 -8.67359 8.14377 -8.67362 46.0264 GPRESSAVG: 1952400 56.6757 13.7499 8.31272 12.6663 -61.1637 -9.79866 9.12305 -8.24453 45.2621 TIMING: 1952400 CPU: 5830.49, 0.00301993/step Wall: 5830.49, 0.00301993/step, 2.55654 hours remaining, 207.281250 MB of memory in use. ENERGY: 1952400 761.7935 2126.7256 1922.5184 126.3127 -205959.1115 17758.8116 0.0000 0.0000 34310.2905 -148952.6592 299.6403 -183262.9497 -148850.2041 299.7884 -95.8129 -64.1402 557055.0219 13.7305 13.5914 PRESSURE: 1952600 -145.687 -14.9568 -8.07506 -14.9576 31.5188 47.2817 -8.07368 47.2843 177.867 GPRESSURE: 1952600 -20.1792 -38.5361 39.3116 6.92745 72.1591 5.01338 -53.1814 35.5755 115.432 PRESSAVG: 1952600 -36.9483 12.7642 -49.431 12.7642 43.6358 36.8394 -49.431 36.8394 13.6771 GPRESSAVG: 1952600 -37.4986 14.4377 -50.635 9.72042 42.9675 36.3087 -47.3149 38.7716 14.5098 TIMING: 1952600 CPU: 5831.08, 0.00295458/step Wall: 5831.08, 0.00295458/step, 2.50105 hours remaining, 207.281250 MB of memory in use. ENERGY: 1952600 777.3503 2074.7478 1938.6340 128.6601 -206114.6971 17949.9807 0.0000 0.0000 34254.8941 -148990.4301 299.1565 -183245.3241 -148884.7960 299.9435 21.2329 55.8041 557064.9951 6.7882 6.6596 PRESSURE: 1952800 -133.202 -60.2808 -2.84597 -60.2792 -317.626 74.388 -2.84636 74.388 -472.552 GPRESSURE: 1952800 -94.7733 -116.882 -45.5342 -40.9167 -296.906 129.034 31.468 85.0642 -431.951 PRESSAVG: 1952800 -83.8667 31.5992 26.6327 31.5992 18.6216 32.1464 26.6326 32.1464 65.4158 GPRESSAVG: 1952800 -83.3914 31.1709 27.4337 30.1282 19.1397 31.3745 25.6436 30.4329 64.1762 TIMING: 1952800 CPU: 5831.67, 0.00294343/step Wall: 5831.67, 0.00294343/step, 2.49145 hours remaining, 207.281250 MB of memory in use. ENERGY: 1952800 776.1177 2067.6644 1912.4320 113.6143 -205930.2329 17632.2527 0.0000 0.0000 34253.5494 -149174.6025 299.1448 -183428.1519 -149081.8566 299.9152 -307.7935 -274.5434 559817.5110 0.0569 -0.0252 PRESSURE: 1953000 -43.8965 109.258 -30.5956 109.258 108.611 -96.4526 -30.595 -96.4522 -17.1362 GPRESSURE: 1953000 20.3129 57.0835 39.6217 112.933 125.525 -133.682 -50.9565 -8.42567 0.657141 PRESSAVG: 1953000 18.6689 -39.454 7.90013 -39.454 47.8671 22.4329 7.90017 22.433 -36.2088 GPRESSAVG: 1953000 18.1538 -41.0729 7.45626 -37.1956 48.1523 24.0717 6.64916 23.7332 -35.772 TIMING: 1953000 CPU: 5832.26, 0.00296765/step Wall: 5832.26, 0.00296765/step, 2.51179 hours remaining, 207.281250 MB of memory in use. ENERGY: 1953000 725.4623 2092.8507 1908.9289 123.0188 -206190.5208 17930.6389 0.0000 0.0000 34350.1914 -149059.4298 299.9888 -183409.6212 -148961.8990 299.7576 15.8596 48.8318 559275.5675 10.1091 10.1781 PRESSURE: 1953200 -70.4408 -135.695 -68.3184 -135.694 220.35 63.5689 -68.3186 63.5689 -74.6493 GPRESSURE: 1953200 -39.9406 -114.647 -105.596 -132.885 257.079 89.0326 33.3549 24.4126 -49.6127 PRESSAVG: 1953200 48.6292 -18.2055 -15.8976 -18.2055 39.6907 61.689 -15.8975 61.689 -7.47931 GPRESSAVG: 1953200 49.1246 -16.4846 -16.5434 -19.7902 38.4628 61.4614 -15.5136 61.2497 -6.82604 TIMING: 1953200 CPU: 5832.85, 0.0029367/step Wall: 5832.85, 0.0029367/step, 2.48542 hours remaining, 207.281250 MB of memory in use. ENERGY: 1953200 738.5115 2092.8636 1906.2323 105.4130 -206301.7903 17931.1798 0.0000 0.0000 34532.4504 -148995.1399 301.5805 -183527.5903 -148891.3187 299.7964 25.0867 55.8420 558225.4909 26.9469 26.9205 PRESSURE: 1953400 109.259 -65.2754 -86.2397 -65.2745 -336.842 93.2815 -86.2392 93.2813 249.058 GPRESSURE: 1953400 165.721 -87.9164 -93.6939 -87.0398 -327.817 172.856 -9.8395 24.3017 280.891 PRESSAVG: 1953400 -16.4182 -89.6316 -39.5482 -89.6317 -9.13157 48.8431 -39.5481 48.843 -35.4952 GPRESSAVG: 1953400 -16.218 -90.9625 -39.0228 -87.7217 -8.63679 49.6148 -40.9071 47.9825 -36.4652 TIMING: 1953400 CPU: 5833.44, 0.00296147/step Wall: 5833.44, 0.00296147/step, 2.50622 hours remaining, 207.281250 MB of memory in use. ENERGY: 1953400 752.4542 2107.2383 1928.2391 114.4188 -205768.1716 17668.5169 0.0000 0.0000 34253.1239 -148944.1804 299.1411 -183197.3043 -148857.8413 299.4558 7.1581 39.5984 557044.8976 -20.3483 -20.4400 PRESSURE: 1953600 -52.5057 -46.1431 121.816 -46.1438 161.264 73.7618 121.817 73.7609 36.4061 GPRESSURE: 1953600 -51.5217 -125.635 232.682 34.0242 160.213 101.465 49.2057 -0.808221 128.506 PRESSAVG: 1953600 35.6509 0.161108 -25.6627 0.161101 -35.4049 6.95434 -25.6628 6.95442 7.27737 GPRESSAVG: 1953600 34.5992 -1.55376 -24.6353 0.123202 -35.2914 4.9632 -24.3915 10.2617 7.66135 TIMING: 1953600 CPU: 5834.03, 0.00297187/step Wall: 5834.03, 0.00297187/step, 2.51486 hours remaining, 207.281250 MB of memory in use. ENERGY: 1953600 807.7988 2107.3273 1889.0190 111.1084 -206116.5049 17972.1353 0.0000 0.0000 34256.7278 -148972.3882 299.1725 -183229.1160 -148879.3213 300.0994 48.3881 79.0660 558186.3395 2.5078 2.3231 PRESSURE: 1953800 -64.2298 92.5203 -141.595 92.5204 -71.7894 9.2502 -141.595 9.24897 -185.793 GPRESSURE: 1953800 -17.4326 58.2333 -93.5024 -1.33519 -98.3896 -36.5461 -187.077 23.1203 -103.149 PRESSAVG: 1953800 28.7345 -34.8962 32.9811 -34.8962 -29.2676 -17.3513 32.9813 -17.3512 50.5348 GPRESSAVG: 1953800 29.7299 -31.9463 33.3507 -36.6253 -29.2496 -15.7845 31.3869 -19.534 49.9899 TIMING: 1953800 CPU: 5834.63, 0.00299681/step Wall: 5834.63, 0.00299681/step, 2.5358 hours remaining, 207.281250 MB of memory in use. ENERGY: 1953800 762.1262 2079.6331 1916.5499 126.5548 -206195.3379 17748.0987 0.0000 0.0000 34567.8017 -148994.5734 301.8892 -183562.3751 -148890.8920 299.6713 -107.2706 -72.9904 557847.7335 16.6672 16.8234 PRESSURE: 1954000 -199.113 19.5718 52.5553 19.5717 -160.098 100.418 52.5553 100.42 -29.3869 GPRESSURE: 1954000 -181.426 29.4004 40.4767 83.4897 -125.707 74.8978 47.3874 84.1031 18.0548 PRESSAVG: 1954000 8.20741 14.8219 36.6405 14.8219 -40.8458 34.8462 36.6405 34.8462 58.5035 GPRESSAVG: 1954000 7.65169 15.999 36.384 15.5437 -40.3091 33.3231 37.3414 35.7498 58.8056 TIMING: 1954000 CPU: 5835.23, 0.00299156/step Wall: 5835.23, 0.00299156/step, 2.5312 hours remaining, 207.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1954000 719.7062 2064.7147 1939.1861 107.5918 -205982.5412 17589.3811 0.0000 0.0000 34471.2458 -149090.7155 301.0460 -183561.9613 -148988.5325 299.6485 -129.5326 -96.3594 557852.3668 8.6217 8.7161 PRESSURE: 1954200 23.6345 -3.29213 76.6532 -3.29214 208.942 -143.046 76.6519 -143.045 102.596 GPRESSURE: 1954200 10.7265 -1.73905 67.4606 -52.6031 275.738 -84.8372 143.525 -207.519 139.707 PRESSAVG: 1954200 -49.874 -2.16242 33.9949 -2.16247 82.2797 -42.6187 33.9948 -42.6187 -8.05067 GPRESSAVG: 1954200 -49.4692 -4.05352 33.9292 -1.88967 81.351 -40.6715 35.1048 -44.0978 -8.06358 TIMING: 1954200 CPU: 5835.83, 0.00299054/step Wall: 5835.83, 0.00299054/step, 2.53016 hours remaining, 207.281250 MB of memory in use. ENERGY: 1954200 749.8074 2044.0478 1944.0791 126.2878 -206338.0847 18035.0995 0.0000 0.0000 34310.4774 -149128.2858 299.6419 -183438.7632 -149029.2978 299.1560 111.7241 142.0572 557465.4733 8.1184 7.9394 PRESSURE: 1954400 -47.5549 -116.886 112.623 -116.887 -58.6029 113.328 112.621 113.328 48.9378 GPRESSURE: 1954400 -22.7929 -97.0842 50.9906 -104.132 -23.4113 2.54857 105.784 173.306 87.6617 PRESSAVG: 1954400 -114.06 -9.32666 13.1521 -9.32667 38.0848 -39.5966 13.1521 -39.5967 51.7054 GPRESSAVG: 1954400 -114.635 -8.49904 13.7047 -9.63271 39.6328 -40.4009 12.6507 -39.3883 50.3031 TIMING: 1954400 CPU: 5836.43, 0.00301512/step Wall: 5836.43, 0.00301512/step, 2.55079 hours remaining, 207.281250 MB of memory in use. ENERGY: 1954400 727.5239 2106.6245 1936.3750 114.6240 -205912.2026 17663.9639 0.0000 0.0000 34035.7335 -149327.3577 297.2425 -183363.0912 -149232.1044 298.7671 -19.0733 13.8192 557028.6330 -8.0898 -8.2329 PRESSURE: 1954600 -36.9058 -100.579 67.0624 -100.579 -232.685 43.3435 67.0633 43.3433 -215.352 GPRESSURE: 1954600 30.6926 -44.0268 120.018 -106.434 -167.749 9.71232 -30.9049 25.2193 -257.77 PRESSAVG: 1954600 -8.74172 -5.16551 -22.679 -5.16554 -21.5513 -18.8754 -22.679 -18.8755 -31.5979 GPRESSAVG: 1954600 -8.44452 -7.5147 -22.9812 -3.00016 -23.7726 -20.3563 -21.6301 -17.0276 -29.9423 TIMING: 1954600 CPU: 5837.04, 0.0030175/step Wall: 5837.04, 0.0030175/step, 2.55264 hours remaining, 207.281250 MB of memory in use. ENERGY: 1954600 768.4694 2042.6331 1921.5788 103.9581 -206178.0424 17747.4880 0.0000 0.0000 34173.1651 -149420.7499 298.4428 -183593.9150 -149323.1619 299.0659 -161.6475 -131.6085 556939.2182 -20.6303 -20.7198 PRESSURE: 1954800 -132.048 -149.91 -10.0125 -149.91 -320.572 115.588 -10.0136 115.589 -175.178 GPRESSURE: 1954800 -70.4293 -155.204 -34.6129 -120.759 -295.331 -0.602514 87.2122 134.148 -164.831 PRESSAVG: 1954800 52.116 -39.1018 -8.76622 -39.1018 -57.7225 28.5304 -8.76626 28.5305 11.8105 GPRESSAVG: 1954800 51.721 -38.27 -9.69226 -41.7657 -57.0576 28.5489 -8.39989 29.3218 11.1033 TIMING: 1954800 CPU: 5837.63, 0.00298823/step Wall: 5837.63, 0.00298823/step, 2.52771 hours remaining, 207.281250 MB of memory in use. ENERGY: 1954800 724.4735 2059.4694 1957.7300 117.2395 -206229.8385 17693.6100 0.0000 0.0000 34103.5842 -149573.7319 297.8351 -183677.3161 -149476.9049 298.5130 -209.2659 -176.8637 557702.1632 2.0680 1.9222 PRESSURE: 1955000 -242.301 38.6023 -99.7583 38.6018 47.7446 55.1762 -99.7581 55.1756 -156.176 GPRESSURE: 1955000 -197.949 10.3284 -37.6133 -30.7839 73.1865 36.2031 -31.0951 74.8816 -132.178 PRESSAVG: 1955000 -14.9284 -31.9436 31.7265 -31.9436 10.4302 30.164 31.7265 30.1641 -17.4633 GPRESSAVG: 1955000 -15.1188 -30.9136 34.0706 -30.9966 10.6523 30.6541 29.4136 27.9564 -17.1503 TIMING: 1955000 CPU: 5838.22, 0.00294554/step Wall: 5838.22, 0.00294554/step, 2.49144 hours remaining, 207.281250 MB of memory in use. ENERGY: 1955000 738.3155 2084.4193 1924.4950 122.4685 -206288.5618 17697.9735 0.0000 0.0000 34223.7139 -149497.1759 298.8842 -183720.8898 -149403.1461 298.4700 -116.9111 -85.6468 556858.4048 -7.3205 -7.2056 PRESSURE: 1955200 206.945 138.925 20.3844 138.925 410.401 -72.4807 20.3838 -72.4806 58.1961 GPRESSURE: 1955200 204.94 65.705 15.434 198.346 452.469 -87.2054 55.814 -78.5968 136.861 PRESSAVG: 1955200 35.0474 4.54808 -35.7708 4.54813 -12.603 20.6079 -35.7709 20.608 2.5506 GPRESSAVG: 1955200 35.0403 3.78853 -36.3793 4.44499 -12.389 20.9011 -34.9517 22.6906 2.50438 TIMING: 1955200 CPU: 5838.83, 0.00300912/step Wall: 5838.83, 0.00300912/step, 2.54505 hours remaining, 207.281250 MB of memory in use. ENERGY: 1955200 735.6164 2148.5004 1940.0752 111.1671 -206634.4835 18064.4510 0.0000 0.0000 34428.7880 -149205.8855 300.6752 -183634.6735 -149108.5147 298.9536 225.1805 264.7569 554417.3320 8.3316 8.3852 PRESSURE: 1955400 149.61 -62.324 93.7073 -62.3256 135.388 90.4406 93.7084 90.4407 116.422 GPRESSURE: 1955400 129.646 -8.67331 82.3968 -78.6041 181.573 75.4579 83.6508 86.1132 183.396 PRESSAVG: 1955400 43.0831 7.13206 15.6046 7.13208 36.2758 55.6596 15.6045 55.6596 -20.866 GPRESSAVG: 1955400 44.3048 7.81997 14.478 7.45093 35.6279 54.8885 17.5403 55.0527 -20.8075 TIMING: 1955400 CPU: 5839.42, 0.00296949/step Wall: 5839.42, 0.00296949/step, 2.51136 hours remaining, 207.281250 MB of memory in use. ENERGY: 1955400 749.3958 2099.6236 1918.8617 109.3503 -206341.9448 18039.8673 0.0000 0.0000 34111.9183 -149312.9278 297.9079 -183424.8461 -149210.4492 299.4006 133.8068 164.8715 557474.9795 19.4976 19.7084 PRESSURE: 1955600 208.95 -14.7385 -103.987 -14.7392 -13.5204 159.145 -103.988 159.142 -49.9065 GPRESSURE: 1955600 245.308 49.9371 -84.4555 -26.7127 29.4484 74.334 -66.9287 197.265 -36.1014 PRESSAVG: 1955600 0.32105 45.5608 -7.60181 45.5608 -19.3083 66.8221 -7.6017 66.8222 -4.66994 GPRESSAVG: 1955600 0.059553 45.8632 -7.44676 45.0874 -19.0067 67.9209 -8.76359 65.6491 -4.34406 TIMING: 1955600 CPU: 5840.01, 0.00295829/step Wall: 5840.01, 0.00295829/step, 2.50173 hours remaining, 207.281250 MB of memory in use. ENERGY: 1955600 717.9108 2080.2801 1903.3806 104.7141 -206145.8358 17756.0440 0.0000 0.0000 34389.1221 -149194.3843 300.3288 -183583.5064 -149096.8745 298.9598 48.5076 79.5518 557435.1276 -7.8857 -7.7637 PRESSURE: 1955800 -55.7255 212.814 38.9495 212.813 -92.2643 13.1184 38.9484 13.116 -63.688 GPRESSURE: 1955800 -11.7614 146.972 -8.42649 212.685 14.3942 -31.2884 36.5141 -13.6426 -109.858 PRESSAVG: 1955800 -1.16749 55.368 -33.8591 55.368 -19.2912 6.12699 -33.859 6.1269 11.5432 GPRESSAVG: 1955800 -1.18281 53.6282 -35.1465 55.608 -18.8527 5.05272 -32.6782 7.38066 11.7857 TIMING: 1955800 CPU: 5840.6, 0.00295444/step Wall: 5840.6, 0.00295444/step, 2.49831 hours remaining, 207.281250 MB of memory in use. ENERGY: 1955800 735.9895 2131.6670 1943.2267 113.2036 -205997.4982 17610.0644 0.0000 0.0000 34259.6335 -149203.7133 299.1979 -183463.3468 -149106.7007 298.9996 -70.5593 -35.7416 558848.1384 -2.9718 -2.7499 PRESSURE: 1956000 -237.671 81.6662 243.883 81.6657 -91.2503 -114.439 243.883 -114.44 -187.448 GPRESSURE: 1956000 -161.374 -2.26042 129.142 97.0118 -131.241 -91.3545 193.192 -88.9624 -135.589 PRESSAVG: 1956000 -65.5832 -9.05877 3.50213 -9.05874 97.0529 -19.5472 3.50209 -19.5472 -49.3173 GPRESSAVG: 1956000 -64.7844 -7.62872 3.84392 -10.0396 95.941 -18.6661 1.96645 -18.7697 -49.3228 TIMING: 1956000 CPU: 5841.2, 0.00297057/step Wall: 5841.2, 0.00297057/step, 2.51178 hours remaining, 207.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1956000 725.6944 2162.6450 1940.9161 113.1210 -206110.3232 17523.5770 0.0000 0.0000 34302.9574 -149341.4123 299.5763 -183644.3697 -149236.3577 299.4308 -172.1231 -142.7349 559257.7652 -5.9492 -6.0554 PRESSURE: 1956200 242.082 -35.9111 192.474 -35.9107 39.7625 27.1625 192.473 27.163 133.035 GPRESSURE: 1956200 240.897 41.7717 187.082 -41.0651 84.7492 64.4008 166.112 24.2644 175.595 PRESSAVG: 1956200 -35.4158 2.5955 -5.18146 2.59542 56.1844 -21.2869 -5.18147 -21.2869 -26.6156 GPRESSAVG: 1956200 -35.9891 2.35366 -5.77844 4.61913 56.2938 -23.9394 -5.55379 -22.0363 -26.4797 TIMING: 1956200 CPU: 5841.79, 0.0029622/step Wall: 5841.79, 0.0029622/step, 2.50454 hours remaining, 207.281250 MB of memory in use. ENERGY: 1956200 742.0990 2164.0161 1931.8950 102.5109 -206480.2970 18080.3593 0.0000 0.0000 34134.3176 -149325.0990 298.1035 -183459.4166 -149223.6293 298.7208 138.2931 167.0804 556738.1717 -1.9490 -2.0583 LDB: ============= START OF LOAD BALANCING ============== 5845.34 LDB: ============== END OF LOAD BALANCING =============== 5845.34 LDB: =============== DONE WITH MIGRATION ================ 5845.34 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 5845.64 LDB: Largest compute 4773 load 0.028500 is 24.1% of average load 0.118127 LDB: Average compute 0.001741 is 1.5% of average load 0.118127 LDB: TIME 5845.64 LOAD: AVG 0.118127 MAX 0.21037 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.57 MB LDB: TIME 5845.64 LOAD: AVG 0.118127 MAX 0.21037 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.633 MB LDB: TIME 5845.64 LOAD: AVG 0.118127 MAX 0.21037 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.633 MB LDB: ============== END OF LOAD BALANCING =============== 5845.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5845.65 PRESSURE: 1956400 -338.14 -55.1446 -23.7662 -55.1446 -40.7226 3.78449 -23.7658 3.78647 -280.62 GPRESSURE: 1956400 -295.809 -144.8 -40.8982 92.6998 -5.78139 9.82688 4.39966 -13.0539 -246.164 PRESSAVG: 1956400 -30.6384 -51.1689 37.9878 -51.1689 11.5649 -47.6893 37.9877 -47.6893 18.8199 GPRESSAVG: 1956400 -30.5869 -51.3704 38.7146 -52.4991 11.8619 -46.2917 41.4301 -48.7527 18.7776 TIMING: 1956400 CPU: 5842.4, 0.00304016/step Wall: 5842.4, 0.00304016/step, 2.57029 hours remaining, 207.023438 MB of memory in use. ENERGY: 1956400 726.6820 2082.7739 1943.2084 114.1269 -206066.7001 17368.8208 0.0000 0.0000 34366.3253 -149464.7627 300.1297 -183831.0881 -149358.8037 298.8349 -219.8277 -182.5851 557411.1402 -0.0845 0.0175 PRESSURE: 1956600 -57.2364 169.201 -174.853 169.2 39.406 -151.751 -174.852 -151.751 165.444 GPRESSURE: 1956600 24.0113 110.759 -76.8307 279.036 42.3053 -114.89 -170.828 -121.951 180.003 PRESSAVG: 1956600 37.7247 41.8385 -11.2786 41.8384 -20.2619 35.4752 -11.2786 35.4752 51.6449 GPRESSAVG: 1956600 37.6304 41.3635 -9.98627 43.1593 -19.8894 34.369 -14.5384 34.3343 51.3494 TIMING: 1956600 CPU: 5842.99, 0.00298295/step Wall: 5842.99, 0.00298295/step, 2.52176 hours remaining, 207.023438 MB of memory in use. ENERGY: 1956600 737.0927 2123.8869 1939.0807 107.5478 -206491.6079 18008.8657 0.0000 0.0000 34100.6919 -149474.4422 297.8098 -183575.1341 -149388.9366 299.2828 49.2045 82.1066 557353.2224 23.0359 23.0301 PRESSURE: 1956800 -122.832 -5.48643 21.1223 -5.48659 -62.1668 -170.037 21.1213 -170.039 336.468 GPRESSURE: 1956800 -49.6855 39.8453 -1.96011 -16.5252 -77.9362 -194.612 1.77103 -146.737 375.519 PRESSAVG: 1956800 6.94866 22.3502 -23.3281 22.3502 -54.1679 -3.01473 -23.3281 -3.01468 42.9175 GPRESSAVG: 1956800 6.04015 24.6053 -24.3894 21.5602 -54.26 -0.709338 -22.1046 -0.182103 43.493 TIMING: 1956800 CPU: 5843.59, 0.00296683/step Wall: 5843.59, 0.00296683/step, 2.50796 hours remaining, 207.023438 MB of memory in use. ENERGY: 1956800 772.1771 2120.2001 1944.6880 123.1999 -206732.4689 18176.8057 0.0000 0.0000 34148.7381 -149446.6601 298.2294 -183595.3982 -149352.4898 299.0402 50.4897 82.6324 557281.8484 -1.4339 -1.5756 PRESSURE: 1957000 37.8902 -36.2376 -227.591 -36.2376 -261.366 36.0198 -227.59 36.0196 -159.715 GPRESSURE: 1957000 55.8064 -19.1527 -208.943 39.6239 -228.364 -71.9429 -204.61 1.43882 -108.812 PRESSAVG: 1957000 -17.7819 19.7045 -72.7389 19.7045 7.37741 -29.2439 -72.739 -29.2439 62.7238 GPRESSAVG: 1957000 -17.1217 19.7229 -71.7676 18.229 6.92346 -28.8916 -74.1731 -31.0808 61.9553 TIMING: 1957000 CPU: 5844.18, 0.00295203/step Wall: 5844.18, 0.00295203/step, 2.49529 hours remaining, 207.023438 MB of memory in use. ENERGY: 1957000 780.6010 2066.9664 1921.0606 113.8838 -206594.8142 17819.1005 0.0000 0.0000 34300.9769 -149592.2251 299.5590 -183893.2019 -149495.0014 298.1899 -127.7304 -93.7898 557401.5502 17.4398 17.2523 PRESSURE: 1957200 -70.6292 31.8764 51.8591 31.8756 -0.89223 115.548 51.8598 115.549 -67.1394 GPRESSURE: 1957200 -121.071 31.2046 85.109 105.43 17.1866 170.152 58.1424 167.58 45.5083 PRESSAVG: 1957200 13.1629 11.382 27.1848 11.3821 24.2637 19.0133 27.1847 19.0133 -47.3119 GPRESSAVG: 1957200 13.4512 8.55472 27.4542 14.122 24.4725 20.0564 28.0223 18.2001 -47.5682 TIMING: 1957200 CPU: 5844.77, 0.00298121/step Wall: 5844.77, 0.00298121/step, 2.51978 hours remaining, 207.023438 MB of memory in use. ENERGY: 1957200 766.0990 2040.9631 1930.1861 112.3517 -206240.7064 17700.1935 0.0000 0.0000 34125.3307 -149565.5823 298.0250 -183690.9130 -149465.2315 297.6610 -46.2203 -19.4587 557208.7200 -3.2951 -3.2148 PRESSURE: 1957400 204.766 -126.511 -16.8648 -126.511 30.2201 23.0575 -16.8645 23.0566 84.6263 GPRESSURE: 1957400 226.79 -76.6737 -46.044 -52.0263 89.5917 70.2591 25.3163 -59.7554 106.101 PRESSAVG: 1957400 8.65399 2.45051 21.6385 2.45069 -41.8405 42.7657 21.6385 42.7658 22.3332 GPRESSAVG: 1957400 8.58002 4.39316 21.57 1.83981 -42.5497 41.7176 20.3314 43.5883 22.8423 TIMING: 1957400 CPU: 5845.36, 0.00295903/step Wall: 5845.36, 0.00295903/step, 2.50087 hours remaining, 207.023438 MB of memory in use. ENERGY: 1957400 680.8850 2103.4251 1932.1224 98.3551 -206246.5622 17861.6561 0.0000 0.0000 34137.9138 -149432.2047 298.1349 -183570.1185 -149331.2490 297.6420 106.5374 140.8277 557124.4959 -3.6178 -3.7091 PRESSURE: 1957600 -37.7785 -6.75212 -73.9969 -6.75191 -130.504 107.63 -73.9971 107.631 440.514 GPRESSURE: 1957600 42.2702 31.192 -22.2759 37.5868 -80.992 45.6146 -109.42 163.71 421.734 PRESSAVG: 1957600 -36.4859 -47.9485 -13.409 -47.9486 -34.5874 46.2854 -13.409 46.2854 36.4973 GPRESSAVG: 1957600 -37.016 -48.1211 -14.0247 -49.8843 -33.151 46.0614 -12.7462 46.1372 35.2755 TIMING: 1957600 CPU: 5845.96, 0.0029572/step Wall: 5845.96, 0.0029572/step, 2.49917 hours remaining, 207.023438 MB of memory in use. ENERGY: 1957600 785.4964 2129.6362 1936.6054 112.7008 -206695.7385 18016.1336 0.0000 0.0000 34250.7387 -149464.4274 299.1202 -183715.1662 -149372.8958 297.9609 90.7438 127.6706 557904.2304 -11.5253 -11.6305 PRESSURE: 1957800 15.4498 -221.51 -235.745 -221.511 -306.066 -36.296 -235.746 -36.2967 -43.821 GPRESSURE: 1957800 40.2721 -250.88 -185.274 -205.508 -248.99 33.0365 -252.079 -93.525 -12.3132 PRESSAVG: 1957800 17.2179 -64.4465 11.9421 -64.4466 -4.14356 -0.236517 11.9422 -0.236469 -6.52481 GPRESSAVG: 1957800 16.6107 -64.2322 12.6523 -63.1595 -4.25429 1.23201 11.2392 -2.33766 -5.50296 TIMING: 1957800 CPU: 5846.55, 0.00298535/step Wall: 5846.55, 0.00298535/step, 2.52279 hours remaining, 207.023438 MB of memory in use. ENERGY: 1957800 765.9866 2065.1749 1947.7496 112.2325 -206292.9766 17737.1889 0.0000 0.0000 34387.5036 -149277.1405 300.3146 -183664.6441 -149176.9961 298.6292 -111.4791 -73.6771 557282.5278 2.1832 2.2845 PRESSURE: 1958000 -89.127 201.842 90.9657 201.842 68.3281 -114.415 90.9655 -114.417 132.378 GPRESSURE: 1958000 -58.4867 202.496 -45.7229 150.36 61.7442 -85.2711 180.02 -13.6299 204.816 PRESSAVG: 1958000 30.6651 13.0889 0.222278 13.0889 -18.3968 -6.45216 0.222334 -6.45226 -27.5625 GPRESSAVG: 1958000 30.6516 9.62609 -0.57272 15.7188 -18.9815 -7.82825 1.65738 -5.22971 -27.0939 TIMING: 1958000 CPU: 5847.15, 0.00298224/step Wall: 5847.15, 0.00298224/step, 2.52 hours remaining, 207.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1958000 756.3590 2139.3663 1924.1998 95.5960 -206433.9419 17925.9285 0.0000 0.0000 34229.2836 -149363.2086 298.9328 -183592.4922 -149261.5071 299.3152 37.1930 69.3580 556734.9441 -5.0981 -5.1413 PRESSURE: 1958200 -437.657 -73.0662 -68.5034 -73.0665 -185.865 -63.7272 -68.5037 -63.728 -296.115 GPRESSURE: 1958200 -426.588 -148.969 -161.938 10.3532 -160.152 -135.82 51.2993 -103.518 -226.143 PRESSAVG: 1958200 -14.6163 -5.63113 -67.4096 -5.63111 66.7374 -67.7485 -67.4096 -67.7485 -40.93 GPRESSAVG: 1958200 -14.5606 -4.4459 -67.381 -7.99183 65.9043 -70.0646 -67.6095 -65.2936 -40.5503 TIMING: 1958200 CPU: 5847.75, 0.00299158/step Wall: 5847.75, 0.00299158/step, 2.52772 hours remaining, 207.023438 MB of memory in use. ENERGY: 1958200 792.2772 2061.0470 1915.5895 118.3470 -206236.6958 17584.9598 0.0000 0.0000 34593.3342 -149171.1410 302.1122 -183764.4753 -149065.5532 299.4887 -306.5454 -270.9612 558261.5670 3.7304 3.5978 PRESSURE: 1958400 -420.142 71.9474 -59.5208 71.9481 -324.791 -81.0126 -59.52 -81.0107 -268.898 GPRESSURE: 1958400 -387.944 87.5428 -74.4289 49.7639 -301.199 -91.1292 16.3091 -22.7961 -236.038 PRESSAVG: 1958400 -44.1477 -23.2809 -7.79714 -23.2809 7.07431 7.53383 -7.79705 7.53381 48.7598 GPRESSAVG: 1958400 -44.1366 -24.7925 -7.48916 -23.4963 8.89479 10.1726 -7.33564 7.3419 46.9854 TIMING: 1958400 CPU: 5848.35, 0.00299549/step Wall: 5848.35, 0.00299549/step, 2.53086 hours remaining, 207.023438 MB of memory in use. ENERGY: 1958400 750.6200 2101.6818 1923.0942 104.9823 -205785.3009 17365.6986 0.0000 0.0000 34278.9704 -149260.2536 299.3668 -183539.2240 -149158.3715 299.5184 -337.9435 -308.3936 559341.5841 3.8955 3.9145 PRESSURE: 1958600 -4.057 -77.3386 -105.567 -77.3394 99.0411 69.4492 -105.566 69.4503 100.898 GPRESSURE: 1958600 15.7773 -118.69 -184.327 -76.2833 122.905 56.3426 -70.5004 52.9916 158.297 PRESSAVG: 1958600 -32.0532 -22.1106 -30.5427 -22.1106 -14.666 -40.1237 -30.5427 -40.1237 9.15502 GPRESSAVG: 1958600 -31.4033 -18.0308 -31.4915 -23.9063 -14.6237 -41.263 -31.5507 -40.6453 9.33078 TIMING: 1958600 CPU: 5848.94, 0.00298715/step Wall: 5848.94, 0.00298715/step, 2.52364 hours remaining, 207.023438 MB of memory in use. ENERGY: 1958600 712.1596 2116.9187 1915.0694 104.9324 -206732.4848 18103.5002 0.0000 0.0000 34246.4331 -149533.4714 299.0826 -183779.9045 -149435.3243 299.3663 65.2940 98.9931 558573.7560 -12.5214 -12.2321 PRESSURE: 1958800 322.683 -125.873 -104.416 -125.871 6.39989 -138.804 -104.415 -138.804 -135.849 GPRESSURE: 1958800 336.255 -102.853 -135.85 -163.894 9.1285 -105.205 -117.409 -61.145 -63.7118 PRESSAVG: 1958800 33.9321 -36.9779 -5.04162 -36.9778 37.771 -10.0496 -5.04166 -10.0497 -51.2066 GPRESSAVG: 1958800 33.4124 -39.0201 -4.51767 -36.3563 36.9642 -10.893 -5.41096 -10.3677 -49.4021 TIMING: 1958800 CPU: 5849.54, 0.00299557/step Wall: 5849.54, 0.00299557/step, 2.53059 hours remaining, 207.023438 MB of memory in use. ENERGY: 1958800 726.0774 2189.6579 1937.3329 109.0625 -206817.7017 17942.4809 0.0000 0.0000 34358.2820 -149554.8080 300.0594 -183913.0900 -149455.2877 298.1112 64.4113 93.8905 559115.0391 6.8322 6.9915 PRESSURE: 1959000 216.713 18.578 158.483 18.5774 -54.1719 184.311 158.483 184.311 316.665 GPRESSURE: 1959000 252.976 41.4247 153.724 86.3561 -4.72654 120.933 140.729 240.458 323.358 PRESSAVG: 1959000 33.0256 8.25679 59.4808 8.25675 18.6231 3.11556 59.4807 3.11551 -12.0473 GPRESSAVG: 1959000 33.2723 9.89992 60.4854 7.70711 18.6454 3.78949 58.4723 2.07831 -12.3727 TIMING: 1959000 CPU: 5850.14, 0.00300072/step Wall: 5850.14, 0.00300072/step, 2.53478 hours remaining, 207.023438 MB of memory in use. ENERGY: 1959000 751.4835 2084.0749 1968.5271 127.5733 -206667.6431 18140.3918 0.0000 0.0000 34025.3854 -149570.2071 297.1522 -183595.5926 -149476.0057 298.4314 159.7354 190.5358 557573.8924 13.2005 13.1816 PRESSURE: 1959200 0.963768 58.3425 -9.27457 58.3423 50.6599 3.22958 -9.27531 3.22932 171.353 GPRESSURE: 1959200 24.4537 48.8645 -35.7285 34.4051 142.047 27.3627 -47.402 -3.8053 149.97 PRESSAVG: 1959200 -2.78222 40.1372 89.5942 40.1372 27.175 30.4864 89.5942 30.4864 -23.8812 GPRESSAVG: 1959200 -2.77574 39.9119 89.3848 41.0135 25.7859 28.9049 90.4255 31.0835 -22.9094 TIMING: 1959200 CPU: 5850.74, 0.00300034/step Wall: 5850.74, 0.00300034/step, 2.53429 hours remaining, 207.023438 MB of memory in use. ENERGY: 1959200 780.1032 2134.3772 1959.6566 116.8762 -207059.3019 18373.3378 0.0000 0.0000 34206.3522 -149488.5986 298.7326 -183694.9508 -149403.3967 298.8921 74.3256 105.4901 557519.2161 0.1705 0.0336 PRESSURE: 1959400 -138.562 -108.706 32.3255 -108.707 -109.583 56.3819 32.3263 56.3823 116.752 GPRESSURE: 1959400 -56.1375 10.3361 134.111 -191.416 -49.6829 23.9789 84.3747 39.0043 63.6204 PRESSAVG: 1959400 -19.5728 -2.27605 35.5616 -2.27599 74.1311 20.0612 35.5616 20.0612 -12.5828 GPRESSAVG: 1959400 -19.2666 -2.98276 36.1591 -3.46168 75.3969 20.5172 34.7648 19.422 -14.0444 TIMING: 1959400 CPU: 5851.35, 0.00300939/step Wall: 5851.35, 0.00300939/step, 2.54176 hours remaining, 207.023438 MB of memory in use. ENERGY: 1959400 764.4001 2140.2540 1909.8150 113.5025 -206951.3753 18148.6031 0.0000 0.0000 34294.7800 -149580.0205 299.5048 -183874.8006 -149477.0985 299.8798 -43.7977 -14.0667 558537.4464 13.9918 14.0286 PRESSURE: 1959600 101.264 51.2339 -95.6901 51.2347 63.4912 -96.34 -95.6904 -96.3405 65.3934 GPRESSURE: 1959600 103.036 37.3615 -48.8663 154.25 118.454 -134.048 -122.719 -42.6139 110.045 PRESSAVG: 1959600 21.2286 -2.25704 94.4281 -2.257 61.4899 -5.41979 94.4281 -5.41979 -93.3541 GPRESSAVG: 1959600 21.6399 -3.1828 92.9918 0.60924 60.7339 -7.60556 95.0555 -4.03107 -92.9709 TIMING: 1959600 CPU: 5851.94, 0.00299083/step Wall: 5851.94, 0.00299083/step, 2.52592 hours remaining, 207.023438 MB of memory in use. ENERGY: 1959600 756.2722 2068.4764 1922.4898 109.9240 -206730.4211 18150.9052 0.0000 0.0000 34188.4439 -149533.9095 298.5762 -183722.3534 -149437.3644 298.9335 76.7163 110.5118 558061.4112 -3.5452 -3.5323 PRESSURE: 1959800 -22.0995 -122.974 34.0372 -122.973 188.878 -11.1015 34.0366 -11.103 105.557 GPRESSURE: 1959800 16.3199 -52.4316 25.8336 -185.293 226.473 -87.2936 82.1431 42.9137 124.785 PRESSAVG: 1959800 -23.4002 -40.8249 11.8662 -40.8248 28.5373 -12.379 11.8662 -12.3788 -32.4314 GPRESSAVG: 1959800 -25.3603 -40.6244 11.6941 -43.0208 30.6998 -7.96125 12.2417 -13.9667 -32.0741 TIMING: 1959800 CPU: 5852.54, 0.00296931/step Wall: 5852.54, 0.00296931/step, 2.50758 hours remaining, 207.023438 MB of memory in use. ENERGY: 1959800 729.1227 2082.5789 1906.1280 121.5836 -206790.5656 18024.7531 0.0000 0.0000 34247.1446 -149679.2546 299.0888 -183926.3992 -149584.4768 298.7128 90.7786 122.5258 557274.4981 -9.0981 -8.9115 PRESSURE: 1960000 131.036 133.514 -170.646 133.514 -85.1604 -90.2452 -170.647 -90.245 -69.853 GPRESSURE: 1960000 202.79 86.9721 -211.838 81.2285 -45.1625 -66.1977 -134.618 -83.9948 -77.9548 PRESSAVG: 1960000 -0.782454 6.00719 -34.589 6.00724 14.0415 -27.891 -34.589 -27.891 -6.44422 GPRESSAVG: 1960000 0.819495 7.16822 -33.4169 5.91777 12.5834 -32.8046 -35.3966 -25.2265 -6.64985 TIMING: 1960000 CPU: 5853.14, 0.00298937/step Wall: 5853.14, 0.00298937/step, 2.52436 hours remaining, 207.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1960000 761.9552 2033.8190 1925.2698 109.6845 -206895.7137 18088.6414 0.0000 0.0000 34115.6041 -149860.7398 297.9401 -183976.3438 -149764.3587 298.0919 -7.9926 26.5577 556563.5766 2.2716 2.2510 PRESSURE: 1960200 -229.299 137.23 -61.7649 137.229 95.2701 -28.1435 -61.7651 -28.1434 -399.754 GPRESSURE: 1960200 -198.058 96.9999 -89.5951 208.115 142.16 -69.8187 -29.7495 -27.9267 -380.592 PRESSAVG: 1960200 19.9568 5.58187 3.54356 5.58189 55.6604 22.3087 3.54357 22.3086 -44.2516 GPRESSAVG: 1960200 19.6823 4.56497 2.90832 6.47416 56.0479 23.0895 4.29711 22.2005 -44.2994 TIMING: 1960200 CPU: 5853.74, 0.00300657/step Wall: 5853.74, 0.00300657/step, 2.53871 hours remaining, 207.281250 MB of memory in use. ENERGY: 1960200 744.5762 2081.8819 1939.0286 127.6065 -206007.7296 17527.5837 0.0000 0.0000 33727.6514 -149859.4014 294.5520 -183587.0528 -149763.5221 297.4855 -177.9277 -145.4967 557021.4514 10.4552 10.4769 LDB: ============= START OF LOAD BALANCING ============== 5857.29 LDB: ============== END OF LOAD BALANCING =============== 5857.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5857.29 LDB: ============= START OF LOAD BALANCING ============== 5857.59 LDB: Largest compute 4773 load 0.029223 is 24.7% of average load 0.118192 LDB: Average compute 0.001739 is 1.5% of average load 0.118192 LDB: TIME 5857.59 LOAD: AVG 0.118192 MAX 0.211258 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.051 MB LDB: TIME 5857.6 LOAD: AVG 0.118192 MAX 0.211258 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.25 MB LDB: TIME 5857.6 LOAD: AVG 0.118192 MAX 0.211258 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5857.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5857.6 PRESSURE: 1960400 -126.265 -232.239 -39.5764 -232.24 -246.365 40.5441 -39.5775 40.5439 -11.7969 GPRESSURE: 1960400 -94.4565 -218.539 -15.2131 -208.83 -193.086 -15.0807 64.4026 102.275 -3.89584 PRESSAVG: 1960400 -15.895 30.057 2.56873 30.0569 -3.07643 -35.6308 2.56868 -35.6307 -35.2014 GPRESSAVG: 1960400 -16.8116 30.5497 1.1719 30.044 -3.12683 -35.18 3.42931 -36.0547 -34.0767 TIMING: 1960400 CPU: 5854.35, 0.00307372/step Wall: 5854.35, 0.00307372/step, 2.59525 hours remaining, 206.511719 MB of memory in use. ENERGY: 1960400 721.9754 2054.6416 1916.9107 119.8356 -206044.4283 17434.3877 0.0000 0.0000 34043.7596 -149752.9178 297.3126 -183796.6773 -149657.0658 297.2572 -128.1423 -97.1462 556290.3225 -18.0576 -18.0050 PRESSURE: 1960600 -35.8329 100.036 214.48 100.038 352.909 74.511 214.48 74.5109 236.966 GPRESSURE: 1960600 38.5319 117.756 193.22 28.6349 373.889 33.9224 150.405 70.7145 239.372 PRESSAVG: 1960600 -50.0807 21.2871 59.649 21.2871 37.4548 0.0392363 59.6489 0.0392143 30.3622 GPRESSAVG: 1960600 -49.5564 21.2198 59.0109 20.886 37.6671 0.259471 60.026 -1.38167 29.6278 TIMING: 1960600 CPU: 5854.96, 0.00302505/step Wall: 5854.96, 0.00302505/step, 2.55398 hours remaining, 206.511719 MB of memory in use. ENERGY: 1960600 698.6008 2059.4884 1942.1043 117.9721 -206444.2844 17972.2759 0.0000 0.0000 33975.8467 -149677.9961 296.7195 -183653.8428 -149587.2693 297.9153 184.6807 217.2645 555912.0826 5.9121 5.9128 PRESSURE: 1960800 108.017 -140.934 103.541 -140.935 180.873 122.154 103.542 122.155 -157.629 GPRESSURE: 1960800 167.306 -91.9462 143.008 -116.737 147.979 197.385 77.2745 -86.9409 -82.0511 PRESSAVG: 1960800 -22.6576 13.1782 51.7295 13.1783 42.6032 -11.8827 51.7296 -11.8829 -23.6636 GPRESSAVG: 1960800 -22.59 15.0739 54.8528 10.7174 42.5754 -11.6614 51.1067 -10.912 -23.2283 TIMING: 1960800 CPU: 5855.56, 0.00301344/step Wall: 5855.56, 0.00301344/step, 2.54401 hours remaining, 206.511719 MB of memory in use. ENERGY: 1960800 725.3995 2058.7697 1887.4874 100.2849 -206618.2996 17931.7764 0.0000 0.0000 34373.4566 -149541.1251 300.1919 -183914.5817 -149441.5950 298.1444 43.7535 77.7448 556795.5974 -1.2393 -1.0810 PRESSURE: 1961000 71.5501 -46.1345 -113.49 -46.1337 221.675 -77.2228 -113.49 -77.223 -135.623 GPRESSURE: 1961000 82.7548 8.20673 -138.339 -123.356 256.325 -137.712 -92.0611 -5.79055 -74.8935 PRESSAVG: 1961000 -30.1317 7.34063 36.5734 7.34063 15.8624 -0.423635 36.5735 -0.423671 4.6817 GPRESSAVG: 1961000 -31.2923 5.80225 35.2406 7.94548 16.1657 1.79973 36.1174 -2.0247 4.77423 TIMING: 1961000 CPU: 5856.17, 0.00303976/step Wall: 5856.17, 0.00303976/step, 2.56606 hours remaining, 206.511719 MB of memory in use. ENERGY: 1961000 755.7810 2068.5240 1942.3982 109.0688 -207097.9059 18298.4183 0.0000 0.0000 34230.7991 -149692.9166 298.9461 -183923.7157 -149601.0661 297.7918 52.5340 88.0621 556661.4623 -3.1959 -3.4508 PRESSURE: 1961200 74.2147 128.217 188.1 128.215 -69.1324 70.4197 188.101 70.4201 251.038 GPRESSURE: 1961200 119.982 96.2978 141.219 148.906 -46.8314 136.613 184.448 121.912 272.067 PRESSAVG: 1961200 73.9838 -16.8845 -11.907 -16.8846 -69.4873 14.117 -11.907 14.1169 0.483874 GPRESSAVG: 1961200 74.6686 -16.9555 -10.952 -15.1361 -70.0147 11.9573 -11.9485 15.9593 0.336649 TIMING: 1961200 CPU: 5856.77, 0.00300324/step Wall: 5856.77, 0.00300324/step, 2.53506 hours remaining, 206.511719 MB of memory in use. ENERGY: 1961200 726.5256 2049.2501 1916.3016 115.9180 -206670.6358 17923.6375 0.0000 0.0000 34250.3349 -149688.6682 299.1167 -183939.0031 -149596.4371 298.2752 85.3735 115.0723 556736.4673 1.6601 1.6635 PRESSURE: 1961400 66.7624 -24.2028 19.2352 -24.2019 -190.794 -3.80221 19.2346 -3.80089 -34.1345 GPRESSURE: 1961400 61.0703 -61.7923 17.2099 13.0722 -186.067 65.0243 7.51176 -34.77 66.079 PRESSAVG: 1961400 -37.8513 8.70232 10.6571 8.70228 62.2995 -10.8596 10.6572 -10.8596 -2.28961 GPRESSAVG: 1961400 -37.8185 9.4595 9.18864 6.80577 62.6468 -10.3893 11.1721 -11.353 -2.32304 TIMING: 1961400 CPU: 5857.36, 0.00298365/step Wall: 5857.36, 0.00298365/step, 2.51836 hours remaining, 206.511719 MB of memory in use. ENERGY: 1961400 752.3886 2045.6108 1936.8494 112.6429 -206452.8091 17837.6484 0.0000 0.0000 34171.2966 -149596.3723 298.4264 -183767.6689 -149498.7850 298.3386 -52.7220 -19.6394 556733.0847 7.3862 7.5018 PRESSURE: 1961600 119.763 130.542 -243.444 130.544 -230.394 106.749 -243.443 106.748 -22.2016 GPRESSURE: 1961600 108.099 62.4933 -242.917 136.354 -169.173 116.079 -197.739 103.646 26.0482 PRESSAVG: 1961600 42.3652 -11.926 4.17211 -11.926 -1.65685 -3.06582 4.17212 -3.0658 -35.3947 GPRESSAVG: 1961600 41.881 -12.7173 5.71346 -9.82104 -1.43304 -2.97884 4.27228 -2.09896 -34.5434 TIMING: 1961600 CPU: 5857.96, 0.00298243/step Wall: 5857.96, 0.00298243/step, 2.51717 hours remaining, 206.511719 MB of memory in use. ENERGY: 1961600 747.2652 2026.7764 1931.3863 112.4518 -206328.1243 17804.3097 0.0000 0.0000 34212.2312 -149493.7037 298.7839 -183705.9349 -149399.9023 298.5784 -44.2776 -11.6755 556662.2198 1.7712 1.9682 PRESSURE: 1961800 161.89 60.9416 133.162 60.9418 94.2512 103.809 133.163 103.809 73.2532 GPRESSURE: 1961800 211.326 102.106 136.811 0.246801 85.2464 84.9858 85.0439 190.064 118.389 PRESSAVG: 1961800 86.0149 -24.1893 24.5488 -24.1892 -21.7112 31.3834 24.5488 31.3834 -19.2428 GPRESSAVG: 1961800 88.2013 -25.1711 24.1828 -23.9357 -22.1511 33.1244 23.4098 29.8346 -20.3293 TIMING: 1961800 CPU: 5858.55, 0.00296062/step Wall: 5858.55, 0.00296062/step, 2.4986 hours remaining, 206.511719 MB of memory in use. ENERGY: 1961800 740.7556 2093.2233 1927.0591 104.4988 -206536.8795 18059.3373 0.0000 0.0000 34197.2258 -149414.7798 298.6529 -183612.0055 -149319.9847 298.5815 109.7980 138.3205 557303.3902 15.0203 15.2403 PRESSURE: 1962000 -124.741 37.2397 19.8054 37.24 -274.674 154.847 19.8056 154.848 169.531 GPRESSURE: 1962000 -82.685 115.059 -25.0798 -122.904 -188.616 189.271 36.6583 129.736 124.302 PRESSAVG: 1962000 7.58317 -17.0238 -9.50296 -17.0237 10.5849 63.9848 -9.50302 63.9847 -31.3622 GPRESSAVG: 1962000 7.053 -15.03 -8.6289 -19.404 11.4424 62.5992 -7.58874 64.17 -31.6595 TIMING: 1962000 CPU: 5859.15, 0.00298711/step Wall: 5859.15, 0.00298711/step, 2.52079 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1962000 771.7503 2065.4876 1947.4631 118.8594 -206443.5794 17910.1999 0.0000 0.0000 34341.8596 -149287.9595 299.9160 -183629.8191 -149189.7733 298.4427 -76.6281 -48.9998 558083.7059 -4.3981 -4.3881 PRESSURE: 1962200 40.1746 43.8992 75.2592 43.8992 -122.098 -38.5839 75.259 -38.5833 -105.333 GPRESSURE: 1962200 100.39 51.2072 34.1545 -22.062 -72.3497 -41.0587 113.294 53.8338 -117.19 PRESSAVG: 1962200 3.49411 3.07107 -18.4474 3.07113 39.2784 21.8951 -18.4474 21.8951 -28.674 GPRESSAVG: 1962200 2.29055 1.12925 -17.7962 3.69718 38.4202 22.8772 -19.8169 20.3421 -27.306 TIMING: 1962200 CPU: 5859.75, 0.00298387/step Wall: 5859.75, 0.00298387/step, 2.51789 hours remaining, 206.511719 MB of memory in use. ENERGY: 1962200 794.7944 2058.9931 1920.2829 107.0902 -206079.0997 17804.2898 0.0000 0.0000 34259.2676 -149134.3816 299.1947 -183393.6492 -149037.8254 299.4425 -62.4188 -29.7167 557611.9375 4.6995 4.4683 PRESSURE: 1962400 25.1299 -137.858 -44.0192 -137.858 197.064 -43.6226 -44.0187 -43.6216 -212.383 GPRESSURE: 1962400 145.617 -142.388 -1.25558 -95.232 215.578 -22.2139 -80.8267 -34.1674 -247.199 PRESSAVG: 1962400 87.2745 63.5685 -10.0429 63.5686 -31.169 -7.43605 -10.0429 -7.43599 0.956744 GPRESSAVG: 1962400 86.1808 63.2116 -11.3107 65.6171 -30.4249 -8.17087 -9.14528 -5.13548 0.987954 TIMING: 1962400 CPU: 5860.34, 0.00295272/step Wall: 5860.34, 0.00295272/step, 2.49144 hours remaining, 206.511719 MB of memory in use. ENERGY: 1962400 772.9970 2105.2709 1944.8543 100.6481 -206186.3988 17878.5714 0.0000 0.0000 34387.8228 -148996.2343 300.3174 -183384.0570 -148898.4058 299.4860 3.2702 37.9985 557023.1916 19.0208 18.9146 PRESSURE: 1962600 157.78 -103.434 -58.8228 -103.436 186.52 14.1798 -58.8218 14.1808 65.4278 GPRESSURE: 1962600 171.229 -112.435 -92.8911 -53.7309 247.68 -39.665 -94.8876 67.4033 84.165 PRESSAVG: 1962600 -25.893 -43.7004 -68.3877 -43.7004 32.2682 -22.5326 -68.3877 -22.5326 -20.7993 GPRESSAVG: 1962600 -25.8101 -44.2165 -68.1071 -44.3014 32.7882 -20.9542 -70.3983 -23.5529 -21.6185 TIMING: 1962600 CPU: 5860.93, 0.0029456/step Wall: 5860.93, 0.0029456/step, 2.48527 hours remaining, 206.511719 MB of memory in use. ENERGY: 1962600 738.0837 2124.5493 1937.3917 117.3443 -206199.9857 17850.7391 0.0000 0.0000 34485.5966 -148946.2810 301.1713 -183431.8776 -148855.6882 299.9369 136.5758 167.6912 555935.7695 -4.8080 -4.8801 PRESSURE: 1962800 35.4318 162.717 -107.14 162.716 -199.033 -142.622 -107.139 -142.622 222.136 GPRESSURE: 1962800 93.2927 157.067 -77.9105 188.151 -189.987 -108.608 -146.228 -133.035 258.765 PRESSAVG: 1962800 43.8579 11.7664 -28.584 11.7664 18.4236 14.1872 -28.5841 14.1872 -15.6209 GPRESSAVG: 1962800 44.9404 12.6287 -28.2504 11.3586 17.9924 14.6416 -28.6818 13.5086 -16.7501 TIMING: 1962800 CPU: 5861.52, 0.00295338/step Wall: 5861.52, 0.00295338/step, 2.49167 hours remaining, 206.511719 MB of memory in use. ENERGY: 1962800 737.9762 2054.9516 1923.3488 104.3289 -206125.3360 17763.8695 0.0000 0.0000 34410.9990 -149129.8620 300.5198 -183540.8610 -149035.3308 300.3463 19.5115 54.0235 556797.9585 15.5535 15.3942 PRESSURE: 1963000 -22.1644 96.1639 -33.8887 96.1643 50.2788 -27.279 -33.8897 -27.2809 166.345 GPRESSURE: 1963000 40.1831 178.857 -18.2109 48.5198 81.7767 62.9158 -35.6594 -155.653 153.719 PRESSAVG: 1963000 -27.2141 -0.287842 3.10367 -0.287784 -9.29057 6.88039 3.10378 6.88046 -2.10433 GPRESSAVG: 1963000 -26.9318 -0.894469 2.81025 -0.514987 -10.4073 6.46171 3.78184 6.59497 -1.76592 TIMING: 1963000 CPU: 5862.12, 0.00301336/step Wall: 5862.12, 0.00301336/step, 2.5421 hours remaining, 206.511719 MB of memory in use. ENERGY: 1963000 729.8699 2101.3116 1979.3561 117.4834 -206464.5132 17974.9478 0.0000 0.0000 34348.9670 -149212.5773 299.9781 -183561.5443 -149111.8298 299.2116 64.8198 91.8930 557397.5152 -12.8697 -13.0350 PRESSURE: 1963200 12.5009 -41.4286 93.4145 -41.4278 117.489 91.4553 93.414 91.4557 -206.708 GPRESSURE: 1963200 63.6542 -36.6222 110.535 -68.1994 106.776 84.0197 22.2226 193.485 -146.646 PRESSAVG: 1963200 -35.5592 -47.1886 53.3861 -47.1885 33.9623 7.19348 53.3861 7.1935 -2.55664 GPRESSAVG: 1963200 -35.9051 -46.3372 54.8097 -47.6028 34.8427 7.80316 51.279 7.92596 -2.75939 TIMING: 1963200 CPU: 5862.72, 0.00301657/step Wall: 5862.72, 0.00301657/step, 2.54465 hours remaining, 206.511719 MB of memory in use. ENERGY: 1963200 758.1050 2048.6958 1935.0837 113.1826 -206373.3283 17896.3031 0.0000 0.0000 34494.7920 -149127.1661 301.2516 -183621.9581 -149033.4331 299.2302 -25.5725 7.9282 557763.6395 -1.3845 -1.2739 PRESSURE: 1963400 -53.5505 -49.6379 37.9516 -49.6362 120.586 -39.8487 37.9502 -39.8493 25.1012 GPRESSURE: 1963400 -50.867 -67.1232 80.5475 -83.595 194.026 -7.99557 90.1047 -63.7846 39.0454 PRESSAVG: 1963400 24.7763 25.0225 10.2489 25.0224 37.9686 32.7165 10.2489 32.7164 -86.1907 GPRESSAVG: 1963400 25.269 22.4201 6.62779 26.3419 37.9088 31.7343 14.069 30.9809 -86.7828 TIMING: 1963400 CPU: 5863.33, 0.00302746/step Wall: 5863.33, 0.00302746/step, 2.55367 hours remaining, 206.511719 MB of memory in use. ENERGY: 1963400 718.1937 2129.4937 1943.5796 115.7651 -206220.6587 17837.1670 0.0000 0.0000 34244.9099 -149231.5497 299.0693 -183476.4595 -149140.3469 299.6431 30.7122 60.7349 556999.1960 -7.8153 -7.8683 PRESSURE: 1963600 -67.8219 -90.0425 -118.426 -90.0439 36.6835 104.728 -118.425 104.727 -72.8975 GPRESSURE: 1963600 -32.7359 -84.3875 -191.966 -53.6603 97.6724 106.66 22.0657 120.338 -78.5824 PRESSAVG: 1963600 -46.8554 -16.7719 29.9148 -16.7719 40.96 12.003 29.9149 12.0029 -9.41537 GPRESSAVG: 1963600 -47.5523 -14.5865 29.1502 -15.57 40.4088 12.4854 29.588 12.7361 -8.31409 TIMING: 1963600 CPU: 5863.93, 0.0029964/step Wall: 5863.93, 0.0029964/step, 2.5273 hours remaining, 206.511719 MB of memory in use. ENERGY: 1963600 725.1917 2091.7121 1909.8762 136.6974 -206210.2143 17846.9819 0.0000 0.0000 34248.0953 -149251.6597 299.0971 -183499.7550 -149157.6523 299.8308 -34.6786 -4.5486 558140.5010 -5.1036 -5.1525 PRESSURE: 1963800 -274.631 -14.7147 -49.8476 -14.7152 194.771 -25.5067 -49.8467 -25.5079 -75.7534 GPRESSURE: 1963800 -241.575 -58.22 -55.9879 -26.9083 253.234 -65.3254 -51.1971 -22.6323 -63.6831 PRESSAVG: 1963800 8.35937 -8.61039 -31.7423 -8.61038 -24.9007 9.61844 -31.7422 9.61841 18.1604 GPRESSAVG: 1963800 7.92264 -9.11457 -30.3228 -10.5982 -24.1341 8.96006 -33.7179 9.7687 17.6094 TIMING: 1963800 CPU: 5864.53, 0.00301333/step Wall: 5864.53, 0.00301333/step, 2.54141 hours remaining, 206.511719 MB of memory in use. ENERGY: 1963800 771.1284 2102.5175 1923.4921 112.9877 -205994.2509 17632.3471 0.0000 0.0000 34188.6452 -149263.1328 298.5779 -183451.7781 -149161.6614 299.5007 -51.8713 -17.3413 556626.3804 0.5397 0.4660 PRESSURE: 1964000 -271.042 71.1874 -141.129 71.1872 16.5862 109.386 -141.129 109.385 -67.6816 GPRESSURE: 1964000 -247.309 54.6612 -130.542 67.7319 33.2251 180.753 -139.275 90.1175 -8.26116 PRESSAVG: 1964000 -18.2131 5.10661 -33.8198 5.10665 -14.5723 20.9828 -33.8197 20.9828 27.5583 GPRESSAVG: 1964000 -18.0846 5.30042 -33.1951 5.08197 -15.1884 22.1797 -32.363 20.7555 27.9158 TIMING: 1964000 CPU: 5865.13, 0.00300899/step Wall: 5865.13, 0.00300899/step, 2.53758 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1964000 766.4870 2122.6971 1917.4103 113.4153 -206033.6574 17699.5444 0.0000 0.0000 34105.0862 -149309.0171 297.8482 -183414.1033 -149214.5469 298.7143 -107.3790 -74.1150 557613.6572 -1.7424 -1.7857 PRESSURE: 1964200 -4.01626 167.903 -79.1285 167.903 208.924 -74.6364 -79.1285 -74.6391 -246.211 GPRESSURE: 1964200 6.73723 184.773 -53.8949 127.142 274.889 -89.4493 -46.281 -1.37951 -230.234 PRESSAVG: 1964200 -63.6328 -10.4416 37.4512 -10.4416 44.1677 38.7438 37.4512 38.7438 35.7351 GPRESSAVG: 1964200 -63.1949 -9.99472 36.788 -12.9853 43.7912 35.5403 38.4284 39.5333 35.2693 TIMING: 1964200 CPU: 5865.73, 0.00300765/step Wall: 5865.73, 0.00300765/step, 2.53628 hours remaining, 206.511719 MB of memory in use. ENERGY: 1964200 713.3065 2093.7402 1947.0364 118.1270 -206268.0644 17919.0947 0.0000 0.0000 34236.3160 -149240.4437 298.9943 -183476.7597 -149144.0288 299.5264 -13.7676 17.1308 557087.2379 5.4233 5.2885 LDB: ============= START OF LOAD BALANCING ============== 5869.28 LDB: ============== END OF LOAD BALANCING =============== 5869.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5869.29 LDB: ============= START OF LOAD BALANCING ============== 5869.59 LDB: Largest compute 4773 load 0.028831 is 24.4% of average load 0.118220 LDB: Average compute 0.001740 is 1.5% of average load 0.118220 LDB: TIME 5869.59 LOAD: AVG 0.11822 MAX 0.210133 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.543 MB LDB: TIME 5869.59 LOAD: AVG 0.11822 MAX 0.210133 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.547 MB LDB: TIME 5869.59 LOAD: AVG 0.11822 MAX 0.210133 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.547 MB LDB: ============== END OF LOAD BALANCING =============== 5869.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5869.59 PRESSURE: 1964400 75.8964 -41.8197 127.925 -41.8197 132.62 99.74 127.925 99.7388 17.2251 GPRESSURE: 1964400 124.306 -8.29551 99.3594 -10.0279 148.219 96.2273 149.474 160.639 35.2519 PRESSAVG: 1964400 14.3822 44.8653 21.5467 44.8654 24.1529 -10.0289 21.5468 -10.0289 -72.3079 GPRESSAVG: 1964400 15.8708 43.833 22.7345 48.8541 23.4397 -8.88862 17.0464 -9.1586 -73.6489 TIMING: 1964400 CPU: 5866.34, 0.00304733/step Wall: 5866.34, 0.00304733/step, 2.56958 hours remaining, 206.515625 MB of memory in use. ENERGY: 1964400 733.2296 2106.6143 1933.3874 96.6969 -206555.8808 17968.9863 0.0000 0.0000 34374.3582 -149342.6082 300.1998 -183716.9664 -149244.9795 298.5223 75.2471 102.5923 558272.9736 -11.2576 -11.4461 PRESSURE: 1964600 67.169 11.9273 -46.7422 11.9265 146.096 -55.1661 -46.742 -55.1677 103.538 GPRESSURE: 1964600 107.564 51.8095 -60.229 68.1399 193.546 -23.8659 -56.2107 -6.56012 107.953 PRESSAVG: 1964600 67.7544 -25.6699 30.1719 -25.6699 18.6211 13.2111 30.172 13.2111 -71.4011 GPRESSAVG: 1964600 66.7692 -25.3861 31.4544 -25.4021 17.6548 13.8404 31.9917 10.3407 -69.7659 TIMING: 1964600 CPU: 5866.94, 0.00298729/step Wall: 5866.94, 0.00298729/step, 2.51878 hours remaining, 206.515625 MB of memory in use. ENERGY: 1964600 774.2066 2053.5230 1948.6701 113.6698 -206512.6177 18163.2721 0.0000 0.0000 34025.5228 -149433.7533 297.1534 -183459.2761 -149344.8370 298.0269 105.6009 136.3545 558268.6194 4.9915 4.8860 PRESSURE: 1964800 87.883 -86.6352 111.557 -86.6341 31.4787 -165.833 111.559 -165.834 -316.021 GPRESSURE: 1964800 132.377 -32.7247 66.2618 -163.505 -30.2425 -118.494 148.519 -177.01 -203.508 PRESSAVG: 1964800 83.3117 -46.537 -24.7415 -46.537 -83.7988 -18.421 -24.7416 -18.4211 -14.9333 GPRESSAVG: 1964800 83.359 -47.2784 -25.7373 -48.1738 -82.1267 -18.2832 -23.8656 -20.2361 -15.8143 TIMING: 1964800 CPU: 5867.54, 0.00301581/step Wall: 5867.54, 0.00301581/step, 2.54266 hours remaining, 206.515625 MB of memory in use. ENERGY: 1964800 758.4607 2116.9591 1929.8204 122.9421 -206398.5574 17880.0402 0.0000 0.0000 34172.8353 -149417.4996 298.4399 -183590.3349 -149327.8379 298.0120 -65.5531 -33.7909 559615.8893 -5.1401 -4.8607 PRESSURE: 1965000 155.706 31.8836 -20.2134 31.8829 10.2198 -151.499 -20.2138 -151.498 161.28 GPRESSURE: 1965000 177.791 0.385248 -27.1714 16.7057 60.9934 -126.669 -56.7933 -136.303 175.335 PRESSAVG: 1965000 61.4072 -3.6645 -23.7895 -3.66464 7.51732 -32.6705 -23.7895 -32.6706 -12.8627 GPRESSAVG: 1965000 62.1302 -3.29528 -23.8542 -2.67178 7.17727 -33.2246 -25.0267 -28.6463 -13.1524 TIMING: 1965000 CPU: 5868.14, 0.00299565/step Wall: 5868.14, 0.00299565/step, 2.5255 hours remaining, 206.515625 MB of memory in use. ENERGY: 1965000 723.3919 2159.7161 1920.4374 102.7603 -206592.0869 18061.0260 0.0000 0.0000 34185.6689 -149439.0863 298.5519 -183624.7552 -149341.8596 298.3185 109.0686 138.0398 557362.6843 18.6873 18.7183 PRESSURE: 1965200 3.35128 -13.7133 186.701 -13.7142 156.809 -15.1932 186.701 -15.193 190.379 GPRESSURE: 1965200 34.0578 -55.6842 188.531 29.4856 176.303 -90.0841 195.266 5.27036 225.092 PRESSAVG: 1965200 -22.5089 15.3675 -12.8202 15.3676 27.6594 10.1755 -12.8202 10.1755 6.50291 GPRESSAVG: 1965200 -23.1564 16.8615 -13.8991 13.751 27.7532 8.89818 -10.0589 8.30241 6.91687 TIMING: 1965200 CPU: 5868.74, 0.00297786/step Wall: 5868.74, 0.00297786/step, 2.51034 hours remaining, 206.515625 MB of memory in use. ENERGY: 1965200 720.1292 2121.0884 1944.9271 108.3073 -206860.4101 18178.5291 0.0000 0.0000 34297.6485 -149489.7805 299.5299 -183787.4290 -149390.5243 298.6800 116.8463 145.1510 558021.9695 3.8845 3.8379 PRESSURE: 1965400 81.3048 72.3818 64.6876 72.382 101.115 -93.752 64.6896 -93.7521 80.4331 GPRESSURE: 1965400 110.778 109.088 53.164 150.317 117.677 -133.013 49.7566 -69.1827 130.191 PRESSAVG: 1965400 8.32488 -4.60598 47.1097 -4.60589 -27.9138 -3.95319 47.1097 -3.95327 29.2636 GPRESSAVG: 1965400 6.90724 -7.85507 46.2132 -0.211876 -27.1825 -1.57628 47.0065 -1.65574 29.5802 TIMING: 1965400 CPU: 5869.34, 0.002983/step Wall: 5869.34, 0.002983/step, 2.5145 hours remaining, 206.515625 MB of memory in use. ENERGY: 1965400 704.1421 2094.6747 1957.9220 115.7651 -206269.5055 17820.5882 0.0000 0.0000 34050.8186 -149525.5948 297.3743 -183576.4133 -149430.5096 298.6048 87.6177 119.5485 558400.3882 3.2249 3.1016 PRESSURE: 1965600 -282.174 -52.8461 -59.2274 -52.8469 -99.7948 -1.14103 -59.2281 -1.14153 -195.124 GPRESSURE: 1965600 -260.862 39.7295 -19.1956 -56.8502 -75.9655 8.2049 0.994001 -24.3549 -137.154 PRESSAVG: 1965600 -24.3009 19.402 -39.1214 19.402 -67.0848 -39.5552 -39.1214 -39.5551 60.1538 GPRESSAVG: 1965600 -22.8863 21.3538 -37.5558 15.5177 -66.4249 -41.061 -41.6302 -40.8307 58.788 TIMING: 1965600 CPU: 5869.94, 0.0029985/step Wall: 5869.94, 0.0029985/step, 2.5274 hours remaining, 206.515625 MB of memory in use. ENERGY: 1965600 788.0615 2062.8665 1948.7446 118.8751 -206396.1606 17784.2325 0.0000 0.0000 34111.9083 -149581.4721 297.9078 -183693.3804 -149483.5025 298.3313 -192.3642 -157.9937 558198.9639 -10.4106 -10.1744 PRESSURE: 1965800 83.0159 99.526 28.3947 99.5259 -293.229 -107.148 28.3943 -107.148 -11.7475 GPRESSURE: 1965800 105.711 100.571 31.8866 248.736 -217.044 -81.5079 -37.755 -67.5332 -7.21779 PRESSAVG: 1965800 20.695 -11.4315 8.31956 -11.4314 -15.555 -37.4031 8.3195 -37.4031 30.0587 GPRESSAVG: 1965800 20.11 -11.7773 7.28247 -10.2041 -15.4553 -36.1613 10.1557 -37.6493 30.6141 TIMING: 1965800 CPU: 5870.53, 0.00298353/step Wall: 5870.53, 0.00298353/step, 2.51462 hours remaining, 206.515625 MB of memory in use. ENERGY: 1965800 759.6453 2088.6626 1924.9585 112.5677 -206423.5520 17833.2240 0.0000 0.0000 34199.6924 -149504.8014 298.6744 -183704.4938 -149402.6697 298.1397 -73.9869 -39.5171 557291.0294 11.7329 11.7563 PRESSURE: 1966000 0.349163 79.36 10.5866 79.3598 145.677 161.018 10.5865 161.018 -59.5592 GPRESSURE: 1966000 30.0991 148.023 3.06249 46.7109 180.593 107.379 -32.0155 170.982 -16.4079 PRESSAVG: 1966000 30.0305 25.9965 -21.1975 25.9965 25.968 -10.6624 -21.1975 -10.6625 -56.3091 GPRESSAVG: 1966000 30.2362 26.598 -22.1314 26.0349 22.7278 -11.6151 -20.8614 -10.5662 -53.8003 TIMING: 1966000 CPU: 5871.13, 0.00301182/step Wall: 5871.13, 0.00301182/step, 2.53829 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1966000 743.3310 2086.7713 1918.7439 119.6475 -206475.6190 17882.0946 0.0000 0.0000 34351.3523 -149373.6784 299.9989 -183725.0306 -149277.5213 299.8444 28.8222 64.7615 557539.5187 -0.1035 -0.2788 PRESSURE: 1966200 -53.1759 151.475 -77.9922 151.475 12.3379 82.6649 -77.9909 82.6663 -82.1098 GPRESSURE: 1966200 -38.0131 172.242 -61.8649 80.681 32.6393 1.53258 -76.7768 66.9187 -25.0893 PRESSAVG: 1966200 10.0721 68.8202 0.185063 68.8202 50.2102 34.0993 0.185197 34.0993 -67.6426 GPRESSAVG: 1966200 10.4038 69.1798 -0.154834 68.6011 52.1967 34.2954 0.522718 33.6429 -69.5816 TIMING: 1966200 CPU: 5871.73, 0.00297121/step Wall: 5871.73, 0.00297121/step, 2.50391 hours remaining, 206.515625 MB of memory in use. ENERGY: 1966200 739.7140 2095.2754 1931.7091 110.1709 -206330.4817 17795.4370 0.0000 0.0000 34318.3234 -149339.8518 299.7105 -183658.1752 -149240.1573 298.7057 -40.9826 -10.1544 557569.7021 -2.4534 -2.3271 PRESSURE: 1966400 333.468 -48.5249 214.457 -48.5243 -46.3586 -132.933 214.458 -132.932 19.324 GPRESSURE: 1966400 300.225 -70.0741 247.272 -33.4943 38.3754 -81.2185 127.021 -116.388 68.3178 PRESSAVG: 1966400 -33.0148 22.0612 0.635485 22.0613 77.4024 36.1995 0.635551 36.1996 -37.4468 GPRESSAVG: 1966400 -34.3352 21.2182 2.10219 21.8922 77.6973 35.8109 -0.358337 36.8555 -36.6499 TIMING: 1966400 CPU: 5872.32, 0.00296347/step Wall: 5872.32, 0.00296347/step, 2.49722 hours remaining, 206.515625 MB of memory in use. ENERGY: 1966400 737.3003 2054.5362 1918.2250 110.7834 -206313.8071 17995.0838 0.0000 0.0000 34283.9101 -149213.9684 299.4099 -183497.8784 -149112.1421 299.0653 102.1445 135.6393 558081.2611 2.3136 2.2374 PRESSURE: 1966600 1.89307 11.255 -28.554 11.2535 -32.9709 -143.796 -28.5548 -143.796 113.369 GPRESSURE: 1966600 -3.59647 -5.93886 -160.014 61.8828 42.7642 -107.891 39.9254 -88.0406 147.601 PRESSAVG: 1966600 -26.8567 -57.4807 3.20837 -57.4806 46.0697 1.7874 3.20844 1.78736 -17.1504 GPRESSAVG: 1966600 -25.5025 -57.7791 1.81054 -57.7058 44.84 2.47583 3.16121 1.6352 -17.2753 TIMING: 1966600 CPU: 5872.91, 0.00295597/step Wall: 5872.91, 0.00295597/step, 2.49073 hours remaining, 206.515625 MB of memory in use. ENERGY: 1966600 728.2566 2100.9919 1949.8600 104.4753 -206333.5669 17808.2334 0.0000 0.0000 34222.5478 -149419.2019 298.8740 -183641.7497 -149325.1689 298.3869 27.4302 62.2562 556844.7579 0.6875 0.6874 PRESSURE: 1966800 -36.1828 226.005 -169.148 226.006 50.118 -61.7169 -169.148 -61.7158 -45.3292 GPRESSURE: 1966800 -14.4606 169.558 -176.626 187.42 96.0451 -22.7595 -130.324 -12.7338 -8.53027 PRESSAVG: 1966800 -51.1016 45.366 -41.8031 45.366 19.4264 -41.1897 -41.8031 -41.1898 4.63168 GPRESSAVG: 1966800 -51.2289 48.8429 -41.8224 43.8361 19.1127 -42.5288 -43.3009 -40.8942 5.25327 TIMING: 1966800 CPU: 5873.51, 0.00296081/step Wall: 5873.51, 0.00296081/step, 2.49465 hours remaining, 206.515625 MB of memory in use. ENERGY: 1966800 735.4399 2077.0650 1929.2189 112.0573 -206708.9574 18072.0332 0.0000 0.0000 34181.1180 -149602.0251 298.5122 -183783.1431 -149507.9700 298.1718 -10.4647 24.3514 558582.6854 -9.0145 -8.9543 PRESSURE: 1967000 235.546 -130.885 15.3728 -130.886 -16.7426 60.6794 15.373 60.6783 -136.243 GPRESSURE: 1967000 259.41 -98.0872 -28.9435 -213.199 8.69812 183.847 -68.5745 30.4177 -82.1358 PRESSAVG: 1967000 30.5174 -10.4363 -58.0919 -10.4364 11.4021 2.29029 -58.0918 2.29029 20.11 GPRESSAVG: 1967000 30.8287 -12.7731 -57.0917 -9.09894 11.0191 3.57167 -57.3502 0.871533 19.8303 TIMING: 1967000 CPU: 5874.1, 0.00296397/step Wall: 5874.1, 0.00296397/step, 2.49715 hours remaining, 206.515625 MB of memory in use. ENERGY: 1967000 760.5701 2064.6688 1941.5536 110.3270 -206073.7570 17859.0484 0.0000 0.0000 33974.6909 -149362.8982 296.7094 -183337.5891 -149268.7961 298.8000 27.5202 61.9908 557522.1973 20.6765 20.5594 PRESSURE: 1967200 -230.078 49.9729 -51.8307 49.9729 -90.6575 111.905 -51.8304 111.905 36.0011 GPRESSURE: 1967200 -193.127 9.70865 -31.9271 47.8747 -98.9666 159.028 -0.301284 103.435 105.83 PRESSAVG: 1967200 43.7759 -33.6086 -0.247619 -33.6086 25.1617 11.5344 -0.24766 11.5344 -54.7161 GPRESSAVG: 1967200 43.2575 -33.6588 -0.586756 -33.2858 25.9866 11.4146 0.69195 10.271 -55.1699 TIMING: 1967200 CPU: 5874.69, 0.00294977/step Wall: 5874.69, 0.00294978/step, 2.48502 hours remaining, 206.515625 MB of memory in use. ENERGY: 1967200 717.2915 2118.6619 1946.6917 109.9541 -206451.2983 17744.5181 0.0000 0.0000 34383.1813 -149430.9998 300.2769 -183814.1810 -149340.4026 298.6843 -94.9116 -62.0881 558568.3271 4.7405 4.6914 PRESSURE: 1967400 20.29 -45.3896 -62.9834 -45.3896 10.093 -33.2757 -62.9831 -33.276 -82.1199 GPRESSURE: 1967400 73.402 -15.5095 -8.01197 -89.2809 55.2263 -72.9561 -73.5578 -3.16041 -81.7698 PRESSAVG: 1967400 20.7988 -23.022 15.2253 -23.022 1.12119 -52.2147 15.2253 -52.2147 -8.50127 GPRESSAVG: 1967400 19.8129 -23.2171 14.5505 -22.2103 1.40978 -52.7489 12.9037 -51.864 -8.09549 TIMING: 1967400 CPU: 5875.28, 0.00298185/step Wall: 5875.28, 0.00298185/step, 2.51188 hours remaining, 206.515625 MB of memory in use. ENERGY: 1967400 732.5101 2080.2211 1952.3657 120.5172 -206414.6361 17859.2536 0.0000 0.0000 34337.7150 -149332.0535 299.8798 -183669.7684 -149234.7876 299.5816 -17.2456 15.6195 557592.3649 4.4729 4.3757 PRESSURE: 1967600 35.3159 140.25 -6.30889 140.25 -115.449 38.495 -6.30872 38.4955 -259.572 GPRESSURE: 1967600 81.5718 111.704 -35.4314 207.083 -120.992 20.2106 93.7809 71.3736 -186.532 PRESSAVG: 1967600 7.05147 22.5046 -20.6215 22.5048 -85.6916 -25.4862 -20.6215 -25.4862 53.6857 GPRESSAVG: 1967600 9.35169 22.2079 -19.2868 21.2354 -86.9225 -24.8945 -19.7835 -24.5723 52.4802 TIMING: 1967600 CPU: 5875.88, 0.00296874/step Wall: 5875.88, 0.00296874/step, 2.50067 hours remaining, 206.515625 MB of memory in use. ENERGY: 1967600 728.1121 2093.4121 1930.7614 130.3356 -206414.6577 17797.0239 0.0000 0.0000 34485.7025 -149249.3101 301.1722 -183735.0126 -149144.5094 299.6375 -113.2348 -75.3174 557637.4302 -8.3181 -8.3635 PRESSURE: 1967800 -160.332 -11.5775 178.194 -11.5761 -195.096 -22.7475 178.194 -22.7466 -380.566 GPRESSURE: 1967800 -176.428 4.30047 146.368 56.145 -94.1185 -1.27895 174.68 -11.6714 -364.929 PRESSAVG: 1967800 2.64775 54.0819 27.9523 54.082 -18.1915 30.1365 27.9522 30.1365 9.86285 GPRESSAVG: 1967800 1.5263 54.3494 26.8542 54.1796 -17.0856 27.9045 30.871 30.7074 10.098 TIMING: 1967800 CPU: 5876.47, 0.00296855/step Wall: 5876.47, 0.00296855/step, 2.50034 hours remaining, 206.515625 MB of memory in use. ENERGY: 1967800 761.5928 2078.0566 1906.2031 105.5009 -206134.1120 17555.2661 0.0000 0.0000 34269.7568 -149457.7357 299.2863 -183727.4925 -149353.1733 298.9248 -245.3314 -211.8249 557152.7411 -1.8936 -1.8204 PRESSURE: 1968000 -59.1085 97.1734 -11.6718 97.1734 -6.01988 71.7803 -11.6704 71.7827 -190.396 GPRESSURE: 1968000 2.97472 147.81 -47.331 98.1411 58.7486 46.8728 -49.4546 -10.3369 -222.842 PRESSAVG: 1968000 28.2538 46.1706 28.0885 46.1706 -24.3614 1.00579 28.0886 1.00583 -6.43712 GPRESSAVG: 1968000 28.338 45.6205 27.4536 46.6712 -24.4994 2.45865 26.7046 1.23669 -6.66692 TIMING: 1968000 CPU: 5877.07, 0.00296693/step Wall: 5877.07, 0.00296693/step, 2.49882 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1968000 738.0219 2117.8903 1937.9045 100.2808 -206478.0011 17814.6795 0.0000 0.0000 34287.7967 -149481.4274 299.4439 -183769.2241 -149388.9165 298.5787 -85.1749 -53.7063 557267.4815 -0.8482 -0.9428 PRESSURE: 1968200 -24.8798 40.0476 61.8798 40.048 -36.1084 25.5225 61.8805 25.5225 182.507 GPRESSURE: 1968200 -30.9499 17.6815 40.7627 55.5363 25.9021 -31.3725 2.80245 18.0326 232.575 PRESSAVG: 1968200 33.7649 19.2366 6.0513 19.2368 -15.4789 8.80822 6.05135 8.8083 -36.1646 GPRESSAVG: 1968200 32.6922 18.4143 8.36827 18.7368 -15.9909 9.38665 3.84055 7.78017 -34.9178 TIMING: 1968200 CPU: 5877.66, 0.00296899/step Wall: 5877.66, 0.00296899/step, 2.50038 hours remaining, 206.515625 MB of memory in use. ENERGY: 1968200 743.3611 2099.8299 1924.2971 123.0633 -206556.5194 17915.8568 0.0000 0.0000 34149.0049 -149601.1063 298.2318 -183750.1112 -149502.5134 297.7285 40.5061 75.8423 557758.2898 -5.9595 -6.0722 LDB: ============= START OF LOAD BALANCING ============== 5881.21 LDB: ============== END OF LOAD BALANCING =============== 5881.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5881.21 LDB: ============= START OF LOAD BALANCING ============== 5881.51 LDB: Largest compute 4773 load 0.029442 is 24.9% of average load 0.118216 LDB: Average compute 0.001736 is 1.5% of average load 0.118216 LDB: TIME 5881.51 LOAD: AVG 0.118216 MAX 0.210431 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.027 MB LDB: TIME 5881.51 LOAD: AVG 0.118216 MAX 0.210431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.027 MB LDB: TIME 5881.51 LOAD: AVG 0.118216 MAX 0.210431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.027 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5881.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5881.52 PRESSURE: 1968400 -31.185 39.6224 -54.8487 39.6234 22.4921 -132.7 -54.8503 -132.699 -49.5305 GPRESSURE: 1968400 -18.4124 -39.5095 2.75307 53.8194 65.1594 -130.026 -45.2538 -90.4829 -18.1098 PRESSAVG: 1968400 -54.1741 -43.5108 -2.52084 -43.5109 46.1744 -2.50796 -2.52089 -2.508 25.3947 GPRESSAVG: 1968400 -52.9897 -41.0736 -3.56591 -43.4179 46.8737 -1.56378 -0.697125 -1.58211 23.0736 TIMING: 1968400 CPU: 5878.27, 0.00303195/step Wall: 5878.27, 0.00303195/step, 2.55324 hours remaining, 206.515625 MB of memory in use. ENERGY: 1968400 739.8011 2085.4143 1925.2644 143.0255 -206207.8694 17636.6476 0.0000 0.0000 34230.2702 -149447.4463 298.9415 -183677.7165 -149349.2024 298.5276 -19.4078 9.5457 556668.7547 5.7983 5.6526 PRESSURE: 1968600 -3.44036 -0.0813427 -9.38492 -0.0801597 -165.907 116.115 -9.38496 116.115 107.693 GPRESSURE: 1968600 30.2488 59.3305 53.7022 35.4801 -153.121 69.4746 -10.3928 145.927 178.798 PRESSAVG: 1968600 -42.9798 -1.29687 -27.6798 -1.29683 -36.8657 -0.287089 -27.6798 -0.287067 60.2624 GPRESSAVG: 1968600 -43.9286 -1.56461 -26.6917 -0.839751 -37.1267 -0.505355 -28.0222 -1.63747 61.9287 TIMING: 1968600 CPU: 5878.86, 0.00297461/step Wall: 5878.86, 0.00297461/step, 2.50479 hours remaining, 206.515625 MB of memory in use. ENERGY: 1968600 761.0104 2054.5489 1940.4471 110.5988 -205793.1812 17554.5528 0.0000 0.0000 34010.1941 -149361.8290 297.0195 -183372.0232 -149267.8126 299.0428 -20.5516 18.6421 556554.5528 -6.5277 -6.3756 PRESSURE: 1968800 -10.3119 -97.7722 20.0958 -97.773 -118.351 74.7279 20.0953 74.7262 -285.664 GPRESSURE: 1968800 -23.6437 -76.1499 -5.30744 -108.676 -62.3696 17.9797 31.7019 64.0004 -216.301 PRESSAVG: 1968800 5.0049 -14.0888 25.6733 -14.0888 65.6577 40.3057 25.6732 40.3058 -59.1892 GPRESSAVG: 1968800 6.79025 -14.7814 25.1566 -13.1019 63.9697 39.7564 26.1448 41.8187 -59.2369 TIMING: 1968800 CPU: 5879.46, 0.00302258/step Wall: 5879.46, 0.00302258/step, 2.54502 hours remaining, 206.515625 MB of memory in use. ENERGY: 1968800 738.5177 2024.8056 1933.6191 101.3258 -206197.0011 17634.6079 0.0000 0.0000 34296.2869 -149467.8381 299.5180 -183764.1249 -149370.5509 299.0565 -138.1087 -100.7715 557934.6848 3.8245 3.8410 PRESSURE: 1969000 -173.942 118.391 137.247 118.392 -186.545 110.356 137.249 110.356 -181.187 GPRESSURE: 1969000 -98.2417 126.308 158.327 136.969 -184.642 165.44 104.844 24.1314 -150.376 PRESSAVG: 1969000 -13.1549 42.0541 29.6407 42.0541 -1.04911 -73.6291 29.6407 -73.6292 9.67574 GPRESSAVG: 1969000 -14.522 43.3835 28.249 40.7055 1.75579 -73.134 29.885 -73.1883 8.57969 TIMING: 1969000 CPU: 5880.06, 0.00297888/step Wall: 5880.06, 0.00297888/step, 2.50805 hours remaining, 206.515625 MB of memory in use. ENERGY: 1969000 759.3248 2075.6154 1900.9273 123.7825 -206341.8023 17694.3909 0.0000 0.0000 34267.6100 -149520.1514 299.2676 -183787.7614 -149432.9459 298.7479 -180.5578 -144.4200 556910.7667 -1.5094 -1.3955 PRESSURE: 1969200 -453.262 139.426 40.2398 139.425 -316.198 79.8532 40.2414 79.8538 116.253 GPRESSURE: 1969200 -399.002 64.3416 74.0995 188.582 -303.763 49.0351 31.6066 130.925 167.617 PRESSAVG: 1969200 -25.9202 -32.0011 20.7634 -32.001 20.6561 4.37513 20.7634 4.37494 18.8209 GPRESSAVG: 1969200 -25.3941 -32.9456 21.3259 -31.3605 19.2547 4.80322 18.046 3.65466 19.9663 TIMING: 1969200 CPU: 5880.66, 0.00298123/step Wall: 5880.66, 0.00298123/step, 2.50986 hours remaining, 206.515625 MB of memory in use. ENERGY: 1969200 757.3286 2096.8353 1921.5800 115.3205 -206122.0462 17663.5118 0.0000 0.0000 34016.8325 -149550.6375 297.0775 -183567.4699 -149456.2891 298.4606 -217.7356 -178.3825 557572.3573 4.5190 4.6090 PRESSURE: 1969400 174.544 -146.15 -60.6874 -146.149 -152.532 198.558 -60.6881 198.558 -296.344 GPRESSURE: 1969400 161.208 -165.92 -93.0245 -92.7467 -98.6068 227.684 -9.5342 160.135 -232.115 PRESSAVG: 1969400 -6.02657 32.6565 -6.6175 32.6565 -21.1893 -1.58905 -6.61748 -1.58913 33.5363 GPRESSAVG: 1969400 -6.15635 33.2853 -7.96368 32.8384 -21.5552 -3.06266 -4.32392 -1.19153 33.6223 TIMING: 1969400 CPU: 5881.25, 0.00297894/step Wall: 5881.25, 0.00297894/step, 2.50777 hours remaining, 206.515625 MB of memory in use. ENERGY: 1969400 702.3955 2120.2281 1927.5751 114.1901 -206159.9040 17750.5121 0.0000 0.0000 34142.0757 -149402.9273 298.1712 -183545.0030 -149298.3402 298.4166 -91.4443 -56.5046 558041.9666 2.1068 1.9703 PRESSURE: 1969600 -134.055 96.91 122.239 96.9107 -290.972 -148.156 122.239 -148.155 -280.106 GPRESSURE: 1969600 -70.9265 70.1415 23.5868 80.8159 -307.088 -121.264 193.211 -201.373 -244.434 PRESSAVG: 1969600 -13.2041 2.36766 22.4934 2.36762 -26.0252 46.7692 22.4933 46.7693 27.945 GPRESSAVG: 1969600 -13.7329 1.85611 24.181 0.975143 -24.9296 47.4165 22.6224 45.5238 27.7699 TIMING: 1969600 CPU: 5881.84, 0.00294812/step Wall: 5881.84, 0.00294812/step, 2.48166 hours remaining, 206.515625 MB of memory in use. ENERGY: 1969600 711.6982 2107.3262 1940.2797 94.8725 -206074.3906 17465.9041 0.0000 0.0000 34318.5461 -149435.7638 299.7124 -183754.3099 -149330.2345 299.1887 -235.0444 -207.4829 558957.2643 -3.7615 -3.6309 PRESSURE: 1969800 127.799 -6.61994 47.1146 -6.61832 -61.7523 -89.0684 47.1149 -89.068 185.483 GPRESSURE: 1969800 98.1431 -8.35073 74.6906 26.6988 16.355 -129.896 22.6289 4.06151 237.1 PRESSAVG: 1969800 -14.1211 5.62239 -13.2412 5.62237 -3.16248 10.3114 -13.2412 10.3115 47.8992 GPRESSAVG: 1969800 -13.6126 3.72094 -14.0885 7.3858 -4.63192 9.99513 -13.1955 12.0364 49.1427 TIMING: 1969800 CPU: 5882.44, 0.00296906/step Wall: 5882.44, 0.00296905/step, 2.49912 hours remaining, 206.515625 MB of memory in use. ENERGY: 1969800 734.3967 2117.7139 1916.7112 110.1654 -206449.1194 17968.5977 0.0000 0.0000 34192.1439 -149409.3906 298.6085 -183601.5345 -149311.4372 299.5329 83.8432 117.1993 556456.0393 10.2052 10.2994 PRESSURE: 1970000 -137.685 -105.884 154.561 -105.885 -37.7457 19.8149 154.561 19.8143 26.2059 GPRESSURE: 1970000 -36.8535 -113.295 91.2953 -39.7775 -87.4053 -54.2131 244.493 -73.2129 80.9054 PRESSAVG: 1970000 -26.2636 13.4528 65.9556 13.4528 41.3276 12.1822 65.9555 12.1822 8.72697 GPRESSAVG: 1970000 -26.5653 13.2772 66.8561 13.9238 41.7694 12.6663 64.9865 10.6984 8.73729 TIMING: 1970000 CPU: 5883.03, 0.00298496/step Wall: 5883.03, 0.00298496/step, 2.51235 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1970000 728.3842 2045.6024 1919.9875 109.3397 -206294.5756 17797.8828 0.0000 0.0000 34205.3740 -149488.0050 298.7240 -183693.3790 -149388.7387 298.7324 -49.7416 -14.4511 556525.8550 7.9303 7.9804 PRESSURE: 1970200 84.1599 4.81414 -31.7443 4.81517 -5.59699 93.343 -31.7443 93.3433 -167.732 GPRESSURE: 1970200 127.322 -4.72707 27.718 -18.9768 5.48271 59.2845 84.0999 57.0532 -117.913 PRESSAVG: 1970200 -57.3343 -23.3745 -35.7939 -23.3744 13.0504 -26.8261 -35.7938 -26.8261 57.5051 GPRESSAVG: 1970200 -57.1634 -20.4864 -37.9816 -27.0184 13.0514 -27.1593 -34.7302 -26.7442 57.3607 TIMING: 1970200 CPU: 5883.62, 0.0029573/step Wall: 5883.62, 0.0029573/step, 2.4889 hours remaining, 206.515625 MB of memory in use. ENERGY: 1970200 713.5548 2085.0431 1941.6024 113.2490 -206659.2309 18001.1230 0.0000 0.0000 34306.7163 -149497.9423 299.6091 -183804.6586 -149399.6766 298.7583 -29.7229 4.9640 558046.1619 4.4071 4.4162 PRESSURE: 1970400 -294.651 -21.525 112.497 -21.5258 -102.66 -99.5826 112.496 -99.583 -38.827 GPRESSURE: 1970400 -277.272 36.6969 144.947 -48.5148 -9.26247 -82.7213 123.598 -132.2 -45.6951 PRESSAVG: 1970400 -8.22481 -35.5868 39.7536 -35.5867 7.09905 55.8514 39.7535 55.8513 26.9959 GPRESSAVG: 1970400 -8.24643 -37.48 42.4943 -33.9031 7.65722 55.4456 39.8843 57.1647 27.1137 TIMING: 1970400 CPU: 5884.22, 0.00298556/step Wall: 5884.22, 0.00298556/step, 2.51252 hours remaining, 206.515625 MB of memory in use. ENERGY: 1970400 750.2122 2107.0523 1938.5811 123.4604 -206559.1905 17664.8638 0.0000 0.0000 34424.1300 -149550.8908 300.6345 -183975.0207 -149445.1778 298.6049 -145.3795 -110.7432 558264.3443 8.6234 8.8415 PRESSURE: 1970600 139.404 -93.982 31.4355 -93.983 -77.048 82.9466 31.4357 82.9464 -78.3249 GPRESSURE: 1970600 142.219 -128.033 -10.0012 -83.9468 -59.6518 47.2067 56.741 70.2381 -2.76903 PRESSAVG: 1970600 -57.5621 -11.8372 -17.7986 -11.8371 11.8984 8.96772 -17.7986 8.96775 -9.05116 GPRESSAVG: 1970600 -58.6945 -10.5212 -19.1953 -11.8901 12.2518 8.04614 -19.0375 7.65251 -8.17039 TIMING: 1970600 CPU: 5884.82, 0.0029685/step Wall: 5884.82, 0.0029685/step, 2.49799 hours remaining, 206.515625 MB of memory in use. ENERGY: 1970600 754.5666 2123.3253 1942.0385 123.3220 -206630.2804 17981.5426 0.0000 0.0000 34184.0531 -149521.4323 298.5378 -183705.4853 -149425.4773 298.6523 -5.3231 26.5995 558011.6928 -18.2383 -18.2044 PRESSURE: 1970800 30.3126 -16.2706 -30.0167 -16.2713 111.535 -51.1206 -30.0167 -51.1202 -129.278 GPRESSURE: 1970800 44.5958 -72.1115 -22.7454 -42.2901 150.357 -114.766 -12.9555 -40.0651 -59.4772 PRESSAVG: 1970800 36.906 -43.5007 -35.7168 -43.5008 -44.1556 8.71808 -35.7168 8.71801 -6.89864 GPRESSAVG: 1970800 37.9429 -42.1914 -34.44 -45.6806 -44.0874 9.51304 -35.5822 8.49842 -7.64836 TIMING: 1970800 CPU: 5885.41, 0.00295836/step Wall: 5885.41, 0.00295836/step, 2.48929 hours remaining, 206.515625 MB of memory in use. ENERGY: 1970800 737.6412 2133.9494 1939.5850 106.8656 -206583.3229 18140.6184 0.0000 0.0000 34110.1728 -149414.4906 297.8926 -183524.6634 -149317.6607 298.4299 4.1899 45.1586 557980.4108 -4.7161 -4.5976 PRESSURE: 1971000 -45.7612 -53.6599 -41.6694 -53.6597 -68.9881 -78.4427 -41.6708 -78.4439 -193.358 GPRESSURE: 1971000 -30.547 -12.4714 -28.3188 -21.4242 -58.8488 -91.4532 5.537 -27.0496 -127.136 PRESSAVG: 1971000 121.067 -42.8441 8.8452 -42.8441 -33.7785 58.4914 8.84512 58.4914 -35.3261 GPRESSAVG: 1971000 121.53 -45.4287 8.10581 -39.6139 -33.7056 57.8607 10.881 60.8573 -36.41 TIMING: 1971000 CPU: 5886, 0.00296685/step Wall: 5886, 0.00296685/step, 2.49628 hours remaining, 206.515625 MB of memory in use. ENERGY: 1971000 740.3291 2125.8539 1929.4471 116.1210 -206277.8590 17764.5617 0.0000 0.0000 34191.7050 -149409.8412 298.6047 -183601.5462 -149312.5771 298.4802 -102.7026 -72.1772 559271.4484 17.3207 17.1383 PRESSURE: 1971200 -9.87592 170.898 -163.6 170.898 56.1294 -61.7476 -163.6 -61.7499 236.215 GPRESSURE: 1971200 -20.3155 188.323 -85.6291 158.233 95.9057 -16.0161 -65.0912 -153.89 297.134 PRESSAVG: 1971200 6.31621 -55.8162 -74.9092 -55.8161 -13.9763 -31.5353 -74.9092 -31.5353 -17.1899 GPRESSAVG: 1971200 4.06 -54.4775 -75.0895 -55.3914 -13.6487 -29.0737 -73.762 -33.5682 -15.356 TIMING: 1971200 CPU: 5886.6, 0.00298746/step Wall: 5886.6, 0.00298745/step, 2.51345 hours remaining, 206.515625 MB of memory in use. ENERGY: 1971200 734.7818 2095.3271 1910.8355 110.7753 -206011.0548 17738.5491 0.0000 0.0000 34141.4065 -149279.3794 298.1654 -183420.7859 -149180.4627 298.7371 94.1561 124.2413 557255.6161 -8.2833 -8.3149 PRESSURE: 1971400 33.1026 -65.863 115.633 -65.8629 -104.962 114.745 115.633 114.745 70.339 GPRESSURE: 1971400 33.0802 -26.433 164.136 -101.682 -64.0251 115.586 -17.4533 128.678 119.752 PRESSAVG: 1971400 -74.6869 14.2504 -47.0689 14.2503 -5.42667 4.76347 -47.0688 4.76351 72.1721 GPRESSAVG: 1971400 -73.6517 13.5327 -45.4244 13.4758 -6.67235 3.50848 -51.6704 5.69961 71.6011 TIMING: 1971400 CPU: 5887.19, 0.0029773/step Wall: 5887.19, 0.0029773/step, 2.50474 hours remaining, 206.718750 MB of memory in use. ENERGY: 1971400 762.3208 2052.0385 1932.5661 105.7103 -206575.6491 17850.9333 0.0000 0.0000 34468.2694 -149403.8107 301.0200 -183872.0801 -149302.9076 299.6386 -0.5066 29.6023 557288.0380 -2.6472 -2.9077 PRESSURE: 1971600 72.1541 -6.32998 43.2398 -6.32874 58.0292 39.2502 43.2399 39.2507 -228.263 GPRESSURE: 1971600 35.77 -52.2445 -10.7913 82.4426 46.6879 138.07 60.9782 47.4755 -77.955 PRESSAVG: 1971600 -46.7185 20.5691 -13.0582 20.5691 82.869 -17.647 -13.0582 -17.6471 -34.2674 GPRESSAVG: 1971600 -47.7399 20.3645 -13.3133 20.2858 83.7895 -17.1444 -11.095 -17.4624 -34.4088 TIMING: 1971600 CPU: 5887.79, 0.00298679/step Wall: 5887.79, 0.00298679/step, 2.51256 hours remaining, 206.718750 MB of memory in use. ENERGY: 1971600 743.8747 2087.3915 1924.3673 113.8665 -206299.5679 17738.4455 0.0000 0.0000 34496.5543 -149195.0680 301.2670 -183691.6224 -149101.0506 300.5186 -32.6931 1.5010 556015.0910 0.6277 0.5470 PRESSURE: 1971800 -435.003 -130.098 -72.5007 -130.1 -443.354 -201.948 -72.5015 -201.95 -152.357 GPRESSURE: 1971800 -390.262 -63.4399 -122.081 -153.418 -392.28 -184.664 -95.2747 -99.8349 -141.658 PRESSAVG: 1971800 -93.2655 -36.1625 -27.6835 -36.1626 65.6636 -29.6719 -27.6837 -29.6718 1.4521 GPRESSAVG: 1971800 -92.3926 -36.0894 -26.5932 -36.7654 66.0556 -29.0589 -27.9898 -31.8914 0.765424 TIMING: 1971800 CPU: 5888.39, 0.00298364/step Wall: 5888.39, 0.00298364/step, 2.50974 hours remaining, 206.718750 MB of memory in use. ENERGY: 1971800 765.2671 2060.2746 1928.1407 99.8395 -205900.2528 17519.2854 0.0000 0.0000 34068.4895 -149458.9560 297.5286 -183527.4455 -149354.9704 299.3914 -343.5713 -308.0667 560195.7798 -8.7166 -8.5239 PRESSURE: 1972000 141.201 -15.7528 35.249 -15.7539 -262.529 -32.9048 35.25 -32.9031 -327.987 GPRESSURE: 1972000 110.262 -14.3818 14.8813 -48.2128 -214.368 5.03089 62.4313 -51.4564 -243.881 PRESSAVG: 1972000 49.4354 -30.7483 34.3196 -30.7483 -21.7182 43.1756 34.3196 43.1755 -24.952 GPRESSAVG: 1972000 48.7307 -30.6147 33.9872 -30.6743 -22.0226 44.4176 33.7017 42.8197 -24.6534 TIMING: 1972000 CPU: 5888.98, 0.00298017/step Wall: 5888.98, 0.00298017/step, 2.50666 hours remaining, 206.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1972000 732.2651 2090.5117 1944.3437 119.1975 -206235.9713 17670.2895 0.0000 0.0000 34306.8402 -149372.5236 299.6102 -183679.3638 -149275.0580 299.4118 -149.7716 -115.9957 558124.6031 0.9217 0.6849 PRESSURE: 1972200 -357.763 -73.8792 -42.5276 -73.88 -135.196 1.72403 -42.5271 1.72402 -51.4422 GPRESSURE: 1972200 -293.125 -38.7919 -41.8353 -50.0952 -110.046 -93.3681 -70.4852 85.8892 -33.239 PRESSAVG: 1972200 44.1396 -18.385 -46.9184 -18.3851 42.8142 29.7578 -46.9185 29.7578 -99.188 GPRESSAVG: 1972200 43.9229 -19.1862 -47.8745 -18.8788 42.9591 26.4633 -46.401 30.7855 -99.5239 TIMING: 1972200 CPU: 5889.58, 0.00300072/step Wall: 5889.58, 0.00300072/step, 2.52377 hours remaining, 206.718750 MB of memory in use. ENERGY: 1972200 722.6332 2058.3447 1923.9628 117.2127 -205835.0055 17585.3195 0.0000 0.0000 34106.7975 -149320.7352 297.8631 -183427.5327 -149225.9361 299.5266 -181.4671 -145.4697 558749.4855 -4.0781 -4.2140 LDB: ============= START OF LOAD BALANCING ============== 5893.14 LDB: ============== END OF LOAD BALANCING =============== 5893.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5893.14 LDB: ============= START OF LOAD BALANCING ============== 5893.43 LDB: Largest compute 4773 load 0.028967 is 24.5% of average load 0.118235 LDB: Average compute 0.001726 is 1.5% of average load 0.118235 LDB: TIME 5893.44 LOAD: AVG 0.118235 MAX 0.208835 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.027 MB LDB: TIME 5893.44 LOAD: AVG 0.118235 MAX 0.208835 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.09 MB LDB: TIME 5893.44 LOAD: AVG 0.118235 MAX 0.208835 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.09 MB LDB: ============== END OF LOAD BALANCING =============== 5893.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5893.44 PRESSURE: 1972400 -204.662 -23.3266 -138.824 -23.3273 105.27 -100.486 -138.823 -100.485 0.240517 GPRESSURE: 1972400 -219.683 -69.5914 -119.707 -20.4693 172.865 -94.4027 -249.435 -99.6724 34.3509 PRESSAVG: 1972400 -42.5885 -18.9249 -11.0512 -18.925 2.55695 -11.1069 -11.0512 -11.1067 15.8089 GPRESSAVG: 1972400 -42.204 -21.7869 -10.1632 -16.8633 2.72366 -10.2272 -11.659 -10.7514 15.0832 TIMING: 1972400 CPU: 5890.19, 0.00304949/step Wall: 5890.19, 0.00304949/step, 2.56462 hours remaining, 207.339844 MB of memory in use. ENERGY: 1972400 772.2567 2058.7955 1917.1858 114.8007 -206325.8971 17901.6956 0.0000 0.0000 34180.0909 -149381.0720 298.5032 -183561.1629 -149288.3232 299.2219 -33.0507 -4.1556 557156.1049 -8.0742 -8.1324 PRESSURE: 1972600 -90.8852 -65.1913 102.85 -65.1909 117.641 133.197 102.851 133.197 237.144 GPRESSURE: 1972600 -23.4043 -50.4231 98.0808 -51.3474 139.037 188.577 124.153 71.7877 239.784 PRESSAVG: 1972600 -56.9444 -6.62803 -72.1606 -6.62801 19.5397 -62.3725 -72.1607 -62.3727 48.1091 GPRESSAVG: 1972600 -56.1251 -5.02045 -74.8293 -5.99392 16.7193 -61.9444 -67.5601 -62.4508 49.7517 TIMING: 1972600 CPU: 5890.79, 0.00299353/step Wall: 5890.79, 0.00299353/step, 2.51739 hours remaining, 207.542969 MB of memory in use. ENERGY: 1972600 684.1525 2114.0519 1913.6742 110.4501 -206039.2018 17783.8712 0.0000 0.0000 34193.9059 -149239.0960 298.6239 -183433.0020 -149140.7396 299.1218 87.9664 118.4722 557150.0863 3.5681 3.4486 PRESSURE: 1972800 -223.364 41.4559 49.9017 41.4559 65.3902 -99.9341 49.9013 -99.9349 -155.578 GPRESSURE: 1972800 -197.624 94.5516 34.564 -42.9547 86.309 -88.0927 58.0398 -127.645 -103.906 PRESSAVG: 1972800 -49.0187 13.6194 38.4897 13.6192 -20.3554 -3.86463 38.4897 -3.86478 -19.0712 GPRESSAVG: 1972800 -49.7578 14.5925 39.5117 10.1221 -18.115 -4.32504 35.9164 -5.42425 -19.7104 TIMING: 1972800 CPU: 5891.39, 0.00298264/step Wall: 5891.39, 0.00298264/step, 2.50807 hours remaining, 207.542969 MB of memory in use. ENERGY: 1972800 732.8229 2095.6845 1938.2944 110.7793 -205986.0500 17681.6114 0.0000 0.0000 34079.8534 -149347.0043 297.6278 -183426.8577 -149247.3880 298.9257 -104.5175 -71.7403 557942.1035 -29.4818 -29.1944 PRESSURE: 1973000 -11.5992 224.685 14.8853 224.686 -40.0524 159.647 14.8853 159.647 -71.4227 GPRESSURE: 1973000 -5.12549 218.865 48.1628 214.818 28.9358 171.969 2.87247 192.095 -68.4756 PRESSAVG: 1973000 7.6477 45.5943 -0.38127 45.5943 1.16055 12.1946 -0.381286 12.1946 44.5056 GPRESSAVG: 1973000 7.26314 46.9328 0.594065 46.0602 1.10784 12.8298 -0.756195 14.3022 44.8482 TIMING: 1973000 CPU: 5891.99, 0.00299626/step Wall: 5891.99, 0.00299626/step, 2.51936 hours remaining, 207.542969 MB of memory in use. ENERGY: 1973000 756.6568 2066.3673 1931.1091 112.1788 -205967.7720 17791.2058 0.0000 0.0000 34065.6350 -149244.6192 297.5037 -183310.2542 -149153.0034 298.8361 -41.0248 -14.8884 557978.7547 17.7713 17.7397 PRESSURE: 1973200 126.218 28.9867 -119.463 28.9864 -34.1934 -49.8888 -119.464 -49.8907 -230.859 GPRESSURE: 1973200 206.16 -10.5168 -79.2766 103.168 -44.8834 -153.63 -160.557 -33.1857 -217.379 PRESSAVG: 1973200 35.2635 52.8129 2.59585 52.8128 -18.8112 -34.2341 2.59578 -34.2341 -4.08517 GPRESSAVG: 1973200 35.6074 49.4046 2.79365 53.5297 -18.4237 -36.6141 2.15546 -34.1468 -5.3445 TIMING: 1973200 CPU: 5892.59, 0.00301666/step Wall: 5892.59, 0.00301666/step, 2.53634 hours remaining, 207.542969 MB of memory in use. ENERGY: 1973200 717.4365 2101.9624 1918.8603 111.3477 -206120.6604 17702.8611 0.0000 0.0000 34262.0171 -149306.1753 299.2187 -183568.1924 -149214.5503 298.6743 -46.2781 -18.7009 557508.1353 4.1224 3.9464 PRESSURE: 1973400 222.264 89.8019 125.589 89.8013 -4.24112 -176.772 125.589 -176.774 -31.7789 GPRESSURE: 1973400 270.769 50.4304 130.482 127.302 31.634 -183.886 179.86 -143.411 -27.773 PRESSAVG: 1973400 -42.3353 8.3992 -0.435357 8.39925 -45.1335 22.4259 -0.435256 22.4258 83.058 GPRESSAVG: 1973400 -41.8096 11.1334 -0.244631 7.9754 -45.3662 23.0101 -0.6335 23.3877 83.3827 TIMING: 1973400 CPU: 5893.2, 0.0030488/step Wall: 5893.2, 0.0030488/step, 2.56319 hours remaining, 207.542969 MB of memory in use. ENERGY: 1973400 731.4888 2098.1972 1921.1420 102.0086 -206029.3179 17861.0993 0.0000 0.0000 34105.9809 -149209.4013 297.8560 -183315.3821 -149109.4702 299.6229 62.0812 91.5434 558107.9334 -1.4703 -1.2644 PRESSURE: 1973600 201.339 -4.59281 -52.272 -4.59229 182.776 -178.571 -52.2709 -178.573 129.472 GPRESSURE: 1973600 235.663 17.5051 -131.239 58.6557 192.772 -229.649 -65.4767 -151.559 189.262 PRESSAVG: 1973600 -3.54674 47.3933 0.472855 47.3933 4.321 -16.4061 0.472902 -16.406 -26.4433 GPRESSAVG: 1973600 -3.46168 47.7733 -2.07978 47.6869 4.0092 -16.0006 2.99287 -16.5537 -25.6197 TIMING: 1973600 CPU: 5893.81, 0.00302479/step Wall: 5893.81, 0.00302479/step, 2.54284 hours remaining, 207.542969 MB of memory in use. ENERGY: 1973600 717.2789 2122.8985 1917.3330 105.2604 -206381.3432 17987.4435 0.0000 0.0000 34293.7524 -149237.3765 299.4959 -183531.1288 -149149.2116 298.9762 171.1956 205.8989 556017.2189 -8.5564 -8.3574 PRESSURE: 1973800 -3.66142 142.2 -93.7922 142.201 27.4416 211.689 -93.7927 211.689 -183.139 GPRESSURE: 1973800 57.8102 173.786 -135.986 86.9849 -25.0433 160.498 -6.16471 247.049 -99.5587 PRESSAVG: 1973800 -33.3772 25.6708 -19.8574 25.6707 19.6045 -0.362721 -19.8574 -0.362828 13.9034 GPRESSAVG: 1973800 -34.3815 25.4497 -19.0229 24.2992 19.6616 1.81337 -21.1895 -1.22057 14.3593 TIMING: 1973800 CPU: 5894.41, 0.0030167/step Wall: 5894.41, 0.0030167/step, 2.53587 hours remaining, 207.542969 MB of memory in use. ENERGY: 1973800 744.0134 2109.8186 1907.4755 99.6406 -206504.4110 17931.2768 0.0000 0.0000 34372.4853 -149339.7008 300.1835 -183712.1861 -149247.8105 299.8555 -53.1195 -22.2639 557233.8411 0.0436 -0.1202 PRESSURE: 1974000 82.0818 66.7013 -197.421 66.7012 -60.242 -10.6766 -197.422 -10.6769 -20.8065 GPRESSURE: 1974000 23.3704 77.3095 -98.6846 103.424 39.3585 -28.6986 -178.136 36.7237 39.5407 PRESSAVG: 1974000 46.73 21.0232 -28.8264 21.0232 -32.3484 -40.4036 -28.8264 -40.4035 -4.05363 GPRESSAVG: 1974000 46.2012 20.9366 -27.8353 21.0245 -31.4383 -41.075 -27.757 -39.3461 -4.16913 TIMING: 1974000 CPU: 5895.01, 0.00299692/step Wall: 5895.01, 0.00299692/step, 2.51908 hours remaining, 207.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1974000 773.7292 2085.1342 1920.1555 111.7043 -206155.7990 17767.1682 0.0000 0.0000 34225.1265 -149272.7812 298.8965 -183497.9076 -149178.7181 298.8183 0.3444 34.0899 556685.7544 3.4426 3.5312 PRESSURE: 1974200 -291.209 -72.0743 -199.975 -72.074 -188.062 -102.471 -199.976 -102.471 -160.159 GPRESSURE: 1974200 -272.134 -33.7029 -190.041 -25.1012 -121.161 -32.8365 -198.558 -160.173 -157.864 PRESSAVG: 1974200 58.2949 9.31581 -21.0298 9.3158 -28.6062 -4.36905 -21.0298 -4.36901 34.9532 GPRESSAVG: 1974200 58.5088 10.3883 -20.5717 12.0511 -29.2202 -4.34286 -21.4509 -5.37119 34.84 TIMING: 1974200 CPU: 5895.6, 0.00295386/step Wall: 5895.6, 0.00295386/step, 2.48272 hours remaining, 207.542969 MB of memory in use. ENERGY: 1974200 720.4001 2176.5705 1942.8802 125.1868 -205707.2888 17379.9399 0.0000 0.0000 34225.2954 -149137.0160 298.8980 -183362.3114 -149044.3844 300.2517 -213.1432 -183.7198 558918.7793 21.5473 21.3762 PRESSURE: 1974400 -158.761 -21.0898 -145.283 -21.0905 -193.049 -121.249 -145.283 -121.248 -267.059 GPRESSURE: 1974400 -105.708 -40.061 -150.417 9.74225 -183.476 -248.426 -120.379 22.9223 -239.869 PRESSAVG: 1974400 18.3687 -42.7207 -19.4868 -42.7206 -24.5987 -21.7585 -19.4867 -21.7585 59.4707 GPRESSAVG: 1974400 18.0696 -43.5736 -20.1079 -42.3732 -24.2692 -21.849 -18.2775 -21.5414 59.6026 TIMING: 1974400 CPU: 5896.19, 0.00297618/step Wall: 5896.19, 0.00297618/step, 2.50131 hours remaining, 207.542969 MB of memory in use. ENERGY: 1974400 771.8122 2116.0542 1933.8706 106.0302 -205681.9910 17703.8519 0.0000 0.0000 33993.3405 -149057.0314 296.8723 -183050.3718 -148954.5160 299.4714 -206.2895 -176.3513 558643.2400 17.7469 17.8010 PRESSURE: 1974600 -20.6273 -84.1994 -32.5281 -84.1997 -28.1132 -159.36 -32.5279 -159.36 346.728 GPRESSURE: 1974600 41.1895 -31.6999 -63.9125 -81.1411 -7.40881 -178.25 -8.04027 -208.176 361.114 PRESSAVG: 1974600 -9.90869 0.232019 -2.6205 0.232103 -58.6328 -35.333 -2.62048 -35.333 46.975 GPRESSAVG: 1974600 -8.92067 -2.25214 -3.22792 0.542147 -59.0235 -34.7244 -2.87639 -36.3632 46.2638 TIMING: 1974600 CPU: 5896.79, 0.00299092/step Wall: 5896.79, 0.00299092/step, 2.51353 hours remaining, 207.542969 MB of memory in use. ENERGY: 1974600 752.7969 2071.0675 1911.4145 123.2192 -206354.6703 17978.7441 0.0000 0.0000 34514.8303 -149002.5979 301.4266 -183517.4282 -148914.8651 299.4813 99.3291 131.6315 556607.6713 -7.1888 -7.2268 PRESSURE: 1974800 6.99878 -59.8015 82.814 -59.8026 55.4758 -13.224 82.8142 -13.2227 -87.837 GPRESSURE: 1974800 1.99717 -59.4267 31.9391 -44.0486 125.348 -48.2607 71.2494 -26.3265 -49.6557 PRESSAVG: 1974800 59.1821 -37.2881 -44.8905 -37.288 -13.2751 -28.6925 -44.8904 -28.6925 3.39872 GPRESSAVG: 1974800 59.8542 -37.0522 -43.3516 -38.3518 -12.5611 -29.8969 -46.148 -27.4356 2.55845 TIMING: 1974800 CPU: 5897.39, 0.00298503/step Wall: 5897.39, 0.00298503/step, 2.50842 hours remaining, 207.542969 MB of memory in use. ENERGY: 1974800 743.6801 2087.1612 1928.9007 109.0514 -206139.2046 17916.6086 0.0000 0.0000 34360.7408 -148993.0620 300.0809 -183353.8027 -148902.9444 300.4769 -8.4541 25.8963 558345.7443 16.4352 16.6172 PRESSURE: 1975000 52.913 15.5517 132.69 15.5509 -144.605 -154.544 132.69 -154.544 -40.476 GPRESSURE: 1975000 84.2004 9.49091 79.7584 123.932 -107.232 -169.803 189.753 -111.302 -18.3676 PRESSAVG: 1975000 26.2405 -14.0731 -35.5096 -14.0731 12.7695 19.1524 -35.5096 19.1524 -50.4565 GPRESSAVG: 1975000 25.0906 -13.5728 -36.2193 -11.5863 13.1501 18.8623 -34.5702 18.1673 -50.0221 TIMING: 1975000 CPU: 5897.98, 0.0029743/step Wall: 5897.98, 0.0029743/step, 2.49924 hours remaining, 207.542969 MB of memory in use. ENERGY: 1975000 719.1465 2121.2022 1934.3471 111.1542 -205730.0934 17736.5425 0.0000 0.0000 34212.1445 -148895.5562 298.7832 -183107.7008 -148806.5073 300.1216 -44.0560 -13.7996 559577.5113 -3.8155 -3.9271 PRESSURE: 1975200 199.748 -0.599727 9.04896 -0.60048 -93.6855 81.1223 9.04865 81.1228 -184.474 GPRESSURE: 1975200 232.797 20.4417 64.8377 8.43037 -63.8563 60.7456 6.52334 71.1982 -158.945 PRESSAVG: 1975200 68.2831 -40.5408 34.6314 -40.5408 -7.4551 17.2587 34.6313 17.2587 -30.3039 GPRESSAVG: 1975200 68.0059 -39.9987 36.0317 -44.0648 -7.84993 17.6243 32.3189 15.8702 -29.7483 TIMING: 1975200 CPU: 5898.58, 0.00298305/step Wall: 5898.58, 0.00298305/step, 2.50643 hours remaining, 207.542969 MB of memory in use. ENERGY: 1975200 734.4147 2102.2477 1933.6708 109.0555 -205700.9143 17591.7507 0.0000 0.0000 34360.0848 -148869.6900 300.0752 -183229.7749 -148767.8384 299.9256 -26.1372 3.3319 558980.8343 10.1747 10.1359 PRESSURE: 1975400 100.758 -97.2416 76.2668 -97.2419 40.5083 -4.99296 76.2656 -4.99135 241.687 GPRESSURE: 1975400 167.282 -95.3423 58.2314 -66.7573 73.9536 34.9399 144.874 15.9444 237.073 PRESSAVG: 1975400 -11.2537 -30.4736 51.4049 -30.4735 36.026 21.4389 51.4048 21.4387 -19.8853 GPRESSAVG: 1975400 -9.04126 -32.6837 50.0955 -27.7642 34.5294 21.2282 53.0618 20.3573 -20.4399 TIMING: 1975400 CPU: 5899.18, 0.0029849/step Wall: 5899.18, 0.0029849/step, 2.50781 hours remaining, 207.542969 MB of memory in use. ENERGY: 1975400 700.1828 2108.6814 1964.5061 115.5271 -206173.6748 17953.4322 0.0000 0.0000 34274.8595 -149056.4857 299.3309 -183331.3452 -148952.4945 300.4540 127.6508 159.4364 556852.9353 1.6290 1.6827 PRESSURE: 1975600 -26.4125 46.1925 -36.2371 46.192 -280.108 42.0714 -36.2359 42.0722 -158.878 GPRESSURE: 1975600 -14.5196 80.797 -110.579 -24.7768 -282.568 -23.4713 -77.5851 43.3698 -68.2529 PRESSAVG: 1975600 12.2704 13.3842 50.9248 13.3842 12.0847 -22.8815 50.9248 -22.8815 -21.9218 GPRESSAVG: 1975600 11.7618 16.1535 50.3526 11.912 12.3225 -23.2447 52.2927 -21.4985 -21.4762 TIMING: 1975600 CPU: 5899.78, 0.00298863/step Wall: 5899.78, 0.00298863/step, 2.51078 hours remaining, 207.542969 MB of memory in use. ENERGY: 1975600 763.9465 2056.5717 1933.2192 128.1122 -205877.8728 17539.4830 0.0000 0.0000 34573.4935 -148883.0466 301.9389 -183456.5401 -148792.2877 300.7270 -155.1328 -121.7802 557678.9958 0.8111 0.8694 PRESSURE: 1975800 37.6682 95.6122 42.0706 95.613 44.9214 -23.8773 42.0696 -23.8764 158.765 GPRESSURE: 1975800 60.0118 57.8799 117.365 10.0893 124.793 -35.3415 13.5908 -6.12321 148.29 PRESSAVG: 1975800 -1.84673 56.2088 28.6502 56.2087 -33.2171 -20.0242 28.6502 -20.0242 11.8197 GPRESSAVG: 1975800 -1.7648 57.777 31.1286 54.3966 -32.0817 -16.8587 25.9748 -20.4572 11.0724 TIMING: 1975800 CPU: 5900.38, 0.0030001/step Wall: 5900.38, 0.0030001/step, 2.52025 hours remaining, 207.542969 MB of memory in use. ENERGY: 1975800 752.7219 2053.4429 1923.6100 103.7801 -206270.2114 17946.1605 0.0000 0.0000 34358.5446 -149131.9514 300.0617 -183490.4960 -149035.2458 300.1108 80.4515 111.0314 556083.4654 -7.7480 -7.5914 PRESSURE: 1976000 71.0327 161.693 216.768 161.693 -364.495 5.42778 216.766 5.42785 -245.399 GPRESSURE: 1976000 124.981 128.267 196.952 103.018 -358.57 -74.5203 121.041 -16.2301 -195.271 PRESSAVG: 1976000 63.7571 27.8943 18.0727 27.8944 -128.08 14.8577 18.0726 14.8576 13.8052 GPRESSAVG: 1976000 63.1994 26.4712 15.5632 30.8188 -127.325 13.1078 19.4939 16.0035 13.636 TIMING: 1976000 CPU: 5900.97, 0.00299177/step Wall: 5900.97, 0.00299177/step, 2.51308 hours remaining, 207.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1976000 775.8032 2094.9489 1942.1696 119.0470 -205956.8024 17642.8077 0.0000 0.0000 34156.2930 -149225.7330 298.2954 -183382.0260 -149131.5027 299.4534 -179.6204 -142.9532 556919.8840 -16.8394 -16.8299 PRESSURE: 1976200 -250.652 -62.6617 83.1986 -62.6605 -288.009 -102.661 83.1997 -102.661 -159.429 GPRESSURE: 1976200 -239.471 -67.89 68.9421 -105.503 -243.984 -52.805 68.1223 -119.788 -117.988 PRESSAVG: 1976200 -5.38301 -15.5338 29.7007 -15.5338 -5.76773 -43.2602 29.7008 -43.2602 42.9312 GPRESSAVG: 1976200 -5.92599 -15.0401 30.0583 -17.6345 -6.00241 -42.8998 29.2215 -43.26 43.3252 TIMING: 1976200 CPU: 5901.57, 0.00299579/step Wall: 5901.57, 0.00299579/step, 2.51629 hours remaining, 207.542969 MB of memory in use. ENERGY: 1976200 761.0699 2079.8194 1935.7001 118.0198 -205935.4372 17358.0872 0.0000 0.0000 34391.3508 -149291.3901 300.3482 -183682.7409 -149191.4927 299.7082 -232.6967 -200.4806 556894.9590 10.5935 10.4656 LDB: ============= START OF LOAD BALANCING ============== 5905.12 LDB: ============== END OF LOAD BALANCING =============== 5905.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5905.13 LDB: ============= START OF LOAD BALANCING ============== 5905.42 LDB: Largest compute 4773 load 0.029797 is 25.2% of average load 0.118195 LDB: Average compute 0.001737 is 1.5% of average load 0.118195 LDB: TIME 5905.43 LOAD: AVG 0.118195 MAX 0.208851 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.762 MB LDB: TIME 5905.43 LOAD: AVG 0.118195 MAX 0.208851 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.965 MB LDB: TIME 5905.43 LOAD: AVG 0.118195 MAX 0.208851 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.965 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5905.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5905.43 PRESSURE: 1976400 -84.8964 -66.055 -207.148 -66.0534 208.264 -39.9068 -207.148 -39.9074 42.9359 GPRESSURE: 1976400 -66.1512 -36.2244 -240.636 -104.155 227.469 -89.8108 -251.801 -18.2899 89.1348 PRESSAVG: 1976400 -59.0832 -23.8884 -53.7252 -23.8884 -5.75551 21.9021 -53.7252 21.902 85.8123 GPRESSAVG: 1976400 -58.4533 -23.5073 -54.1649 -22.3508 -6.29196 21.476 -52.9039 21.9363 85.4782 TIMING: 1976400 CPU: 5902.18, 0.00305046/step Wall: 5902.18, 0.00305046/step, 2.56205 hours remaining, 206.515625 MB of memory in use. ENERGY: 1976400 743.2824 2043.2041 1923.1457 102.5334 -206152.8632 17739.6166 0.0000 0.0000 34192.6257 -149408.4552 298.6127 -183601.0810 -149319.6308 299.0577 55.4344 83.4841 555848.9126 6.9912 6.9110 PRESSURE: 1976600 15.4562 -187.812 -99.398 -187.813 34.5096 -83.4557 -99.3968 -83.4557 -56.3916 GPRESSURE: 1976600 -36.7456 -202.097 23.8562 -206.149 138.629 -83.0476 -155.22 -103.956 -13.3616 PRESSAVG: 1976600 44.5311 -8.37672 22.59 -8.37667 -59.9768 -16.6412 22.5899 -16.6412 47.4738 GPRESSAVG: 1976600 44.5833 -9.76744 24.3278 -7.90823 -59.5182 -18.5711 21.6079 -17.0288 47.0778 TIMING: 1976600 CPU: 5902.78, 0.00295969/step Wall: 5902.78, 0.00295969/step, 2.48565 hours remaining, 206.515625 MB of memory in use. ENERGY: 1976600 741.9790 2082.4027 1939.3749 104.8509 -206210.6845 17747.4842 0.0000 0.0000 34381.8145 -149212.7783 300.2649 -183594.5929 -149123.4462 299.2796 -2.1419 29.5071 557743.7795 10.6760 10.7143 PRESSURE: 1976800 -251.443 131.692 -12.4837 131.691 -238.391 -24.1807 -12.4837 -24.1796 0.974884 GPRESSURE: 1976800 -211.307 153.274 -34.9171 160.332 -219.181 25.4611 16.0516 -61.7721 45.9485 PRESSAVG: 1976800 -25.043 -27.6371 31.7103 -27.6371 -105.48 -33.6075 31.7103 -33.6075 99.938 GPRESSAVG: 1976800 -23.1964 -28.4216 30.0006 -28.5662 -106.611 -34.0181 31.7569 -31.5376 99.8361 TIMING: 1976800 CPU: 5903.37, 0.00297133/step Wall: 5903.37, 0.00297133/step, 2.49526 hours remaining, 206.515625 MB of memory in use. ENERGY: 1976800 776.0464 2034.1364 1927.0113 100.1085 -206249.7770 17669.0892 0.0000 0.0000 34277.7905 -149465.5948 299.3565 -183743.3853 -149367.4225 298.9498 -162.9530 -128.1799 556924.0796 -10.1951 -9.9906 PRESSURE: 1977000 -133.907 -70.4373 -13.8661 -70.4372 -219.732 -40.0415 -13.8673 -40.0434 -424.815 GPRESSURE: 1977000 -119.9 -123.506 10.1861 -77.6343 -225.203 46.6647 -36.554 -99.3626 -335.959 PRESSAVG: 1977000 34.3733 -53.3326 -40.4094 -53.3326 -73.8498 19.6213 -40.4094 19.6213 85.6074 GPRESSAVG: 1977000 32.0112 -52.9499 -38.9847 -52.0888 -72.8048 20.8456 -39.8471 17.4008 86.8739 TIMING: 1977000 CPU: 5903.96, 0.00296788/step Wall: 5903.96, 0.00296788/step, 2.4922 hours remaining, 206.515625 MB of memory in use. ENERGY: 1977000 727.5363 2044.7619 1958.4424 99.4858 -205829.8907 17318.8536 0.0000 0.0000 34241.8182 -149438.9924 299.0423 -183680.8106 -149339.8504 298.9475 -259.4845 -227.0209 557054.1411 15.3770 15.3601 PRESSURE: 1977200 -179.237 100.358 116.669 100.357 -135.773 -96.0303 116.669 -96.0306 -92.0557 GPRESSURE: 1977200 -124.644 162.506 161.003 67.5246 -136.738 -86.0622 61.5557 -76.4404 -37.4734 PRESSAVG: 1977200 -38.9266 -14.8429 -0.0921992 -14.8428 40.5084 46.023 -0.0921485 46.0231 1.67803 GPRESSAVG: 1977200 -37.3776 -15.4051 -2.84767 -15.4241 40.3266 45.148 0.116993 46.2811 0.932286 TIMING: 1977200 CPU: 5904.55, 0.00295699/step Wall: 5904.55, 0.00295699/step, 2.48288 hours remaining, 206.515625 MB of memory in use. ENERGY: 1977200 741.6695 2055.9053 1923.4144 107.0328 -206161.0105 17796.2381 0.0000 0.0000 34084.0923 -149452.6581 297.6649 -183536.7504 -149350.8871 298.3548 -135.6883 -99.6183 558138.1292 1.0866 1.2938 PRESSURE: 1977400 -57.2212 131.536 -65.4221 131.536 204.724 28.368 -65.4214 28.369 245.576 GPRESSURE: 1977400 -22.8867 39.7699 -25.8579 173.668 236.548 32.9923 -105.134 27.1177 268.877 PRESSAVG: 1977400 -1.33271 -7.35788 -11.1374 -7.35793 -18.6004 25.3644 -11.1374 25.3645 28.1802 GPRESSAVG: 1977400 -1.56983 -4.73379 -9.60344 -8.40105 -18.3331 25.5727 -10.1178 26.0173 28.1932 TIMING: 1977400 CPU: 5905.15, 0.00296671/step Wall: 5905.15, 0.00296671/step, 2.49088 hours remaining, 206.714844 MB of memory in use. ENERGY: 1977400 715.3443 2052.9985 1942.8489 109.3386 -206702.5414 18234.4454 0.0000 0.0000 34131.1286 -149516.4373 298.0756 -183647.5658 -149423.3600 298.2507 131.0262 160.8462 557557.2062 2.7490 2.7634 PRESSURE: 1977600 -111.909 -7.76026 -38.8332 -7.75986 -9.19572 -83.2639 -38.8329 -83.266 316.568 GPRESSURE: 1977600 -33.5965 18.3054 -87.5982 -54.6659 26.9432 -116.648 -64.0231 -53.8902 293.757 PRESSAVG: 1977600 -35.6827 33.439 17.358 33.4389 54.4827 -32.1754 17.3579 -32.1754 -18.8534 GPRESSAVG: 1977600 -36.9688 31.5478 19.311 34.2701 54.6329 -32.177 16.2499 -33.291 -17.9571 TIMING: 1977600 CPU: 5905.74, 0.00298152/step Wall: 5905.74, 0.00298152/step, 2.50315 hours remaining, 206.714844 MB of memory in use. ENERGY: 1977600 750.2402 2116.9918 1945.5427 112.5375 -206585.1406 18067.8445 0.0000 0.0000 34099.2523 -149492.7316 297.7973 -183591.9840 -149404.1479 298.1458 65.1543 95.7013 557602.4292 -0.0178 -0.0977 PRESSURE: 1977800 99.7988 21.0107 34.4748 21.0105 -265.544 -159.807 34.4757 -159.806 -140.274 GPRESSURE: 1977800 145.533 -44.8983 127.878 32.4958 -235.804 -111.99 -3.20217 -189.638 -121.81 PRESSAVG: 1977800 -23.5588 -8.85044 2.86866 -8.85034 -24.4968 -35.029 2.86865 -35.0291 46.3225 GPRESSAVG: 1977800 -21.6028 -7.26539 0.372284 -8.16855 -24.8573 -35.24 2.88444 -34.694 45.066 TIMING: 1977800 CPU: 5906.34, 0.00298959/step Wall: 5906.34, 0.00298959/step, 2.50976 hours remaining, 206.714844 MB of memory in use. ENERGY: 1977800 747.4380 2113.8988 1930.7434 103.2014 -206185.3107 17596.6230 0.0000 0.0000 34138.7932 -149554.6130 298.1426 -183693.4062 -149461.5314 298.6387 -102.0064 -70.6935 558562.5887 -0.5777 -0.4647 PRESSURE: 1978000 -19.1153 85.7648 -188.635 85.7649 -239.183 64.6081 -188.635 64.6078 82.7114 GPRESSURE: 1978000 30.3043 96.9213 -237.432 208.237 -201.406 105.629 -130.96 31.5935 119.382 PRESSAVG: 1978000 51.1367 5.27405 39.2886 5.2741 9.46509 38.3709 39.2886 38.371 -59.4029 GPRESSAVG: 1978000 50.2478 3.29235 39.3649 4.61307 9.64935 39.388 39.7356 37.1807 -58.7192 TIMING: 1978000 CPU: 5906.94, 0.0030075/step Wall: 5906.94, 0.0030075/step, 2.52463 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1978000 731.6033 2066.7198 1895.1214 113.1353 -205912.8272 17635.1738 0.0000 0.0000 34024.3647 -149446.7089 297.1432 -183471.0735 -149350.1180 298.5819 -58.5288 -17.2398 558533.7692 0.3996 0.3926 PRESSURE: 1978200 81.2018 139.975 23.7182 139.977 -65.9605 -47.4297 23.7183 -47.4308 -4.15073 GPRESSURE: 1978200 97.2752 115.878 50.2004 110.447 -46.6289 51.7244 1.91672 -98.8024 58.9346 PRESSAVG: 1978200 12.1317 34.074 50.5955 34.074 -8.33833 6.0488 50.5954 6.04894 -3.21504 GPRESSAVG: 1978200 11.8171 34.1515 51.7964 35.361 -7.32435 5.14488 50.534 6.65922 -3.67413 TIMING: 1978200 CPU: 5907.55, 0.00303404/step Wall: 5907.55, 0.00303404/step, 2.54674 hours remaining, 206.714844 MB of memory in use. ENERGY: 1978200 759.7856 2084.4424 1908.3208 96.1452 -206134.6751 17762.7358 0.0000 0.0000 34036.9145 -149486.3308 297.2528 -183523.2453 -149394.8183 298.6381 3.6969 36.5270 557975.9228 0.1928 0.2729 PRESSURE: 1978400 -69.1205 18.3686 -131.478 18.3681 161.566 33.322 -131.478 33.3235 -117.803 GPRESSURE: 1978400 -61.9682 41.9851 -74.9658 -13.1126 183.426 29.5113 -201.955 -12.0321 -56.3608 PRESSAVG: 1978400 -40.7798 24.1509 -42.8853 24.1509 -54.3239 36.4393 -42.8854 36.4392 24.9811 GPRESSAVG: 1978400 -39.8434 24.1926 -42.4774 23.1997 -55.3877 36.2012 -41.5675 36.0448 25.198 TIMING: 1978400 CPU: 5908.15, 0.0029929/step Wall: 5908.15, 0.0029929/step, 2.51204 hours remaining, 206.714844 MB of memory in use. ENERGY: 1978400 741.7913 2036.8932 1943.2573 117.3810 -206234.5810 17909.0589 0.0000 0.0000 34180.9785 -149305.2210 298.5110 -183486.1994 -149202.6344 298.0758 -8.4523 21.6989 558548.4992 -23.3742 -23.3443 PRESSURE: 1978600 -206.024 39.1054 92.4699 39.1049 -162.012 90.8992 92.4708 90.8984 -11.6666 GPRESSURE: 1978600 -193.422 40.4862 -27.4085 33.7724 -171.557 -4.72108 34.7537 120.584 76.2288 PRESSAVG: 1978600 -6.42777 -26.9089 -36.7457 -26.909 4.12094 0.608703 -36.7456 0.608704 -2.20181 GPRESSAVG: 1978600 -7.20978 -27.3687 -36.7502 -25.5692 3.96085 0.134563 -38.593 2.25211 -1.74955 TIMING: 1978600 CPU: 5908.75, 0.00300712/step Wall: 5908.75, 0.00300712/step, 2.52381 hours remaining, 206.714844 MB of memory in use. ENERGY: 1978600 759.8531 2085.3483 1923.9211 118.6399 -206416.7208 17907.5326 0.0000 0.0000 34259.1749 -149362.2510 299.1939 -183621.4259 -149265.2742 299.1087 -126.5674 -96.2501 557956.8514 -1.5029 -1.6662 PRESSURE: 1978800 213.852 163.207 14.0794 163.207 87.0484 152.942 14.0807 152.94 -115.548 GPRESSURE: 1978800 259.902 165.813 4.28935 141.367 162.477 216.294 -21.7371 46.6873 -144.745 PRESSAVG: 1978800 21.4322 23.3968 10.5906 23.3968 28.3804 27.3856 10.5906 27.3855 -14.038 GPRESSAVG: 1978800 21.111 25.7462 10.1315 21.7789 29.6235 27.8361 10.0299 25.8685 -14.4278 TIMING: 1978800 CPU: 5909.35, 0.00301239/step Wall: 5909.35, 0.00301239/step, 2.52806 hours remaining, 206.714844 MB of memory in use. ENERGY: 1978800 755.7363 2088.7746 1934.8718 113.9836 -206235.7512 17880.7868 0.0000 0.0000 34045.8437 -149415.7543 297.3308 -183461.5980 -149324.0251 298.4121 61.7842 92.5448 558117.7386 11.9249 12.1022 PRESSURE: 1979000 147.777 3.85296 124.086 3.85323 55.685 40.7266 124.087 40.726 19.8519 GPRESSURE: 1979000 114.322 1.66992 21.3677 -28.1932 107.675 150.073 171.135 13.1858 103.208 PRESSAVG: 1979000 23.9693 20.0413 -2.10275 20.0413 22.0387 1.42175 -2.10278 1.42163 -19.5083 GPRESSAVG: 1979000 23.5199 17.6445 -3.25291 21.1508 21.7973 2.93529 -0.303665 1.69103 -18.8398 TIMING: 1979000 CPU: 5909.95, 0.00299492/step Wall: 5909.95, 0.00299492/step, 2.51324 hours remaining, 206.714844 MB of memory in use. ENERGY: 1979000 717.3155 2097.5880 1946.1089 104.2623 -206549.7589 18047.5472 0.0000 0.0000 34103.9893 -149532.9477 297.8386 -183636.9370 -149439.8686 297.8719 74.4380 108.4015 558105.5027 8.8332 8.8258 PRESSURE: 1979200 25.103 74.6557 141.535 74.6557 -45.3771 -7.46982 141.534 -7.46814 -261.474 GPRESSURE: 1979200 51.9568 89.6495 87.4443 41.1989 -74.749 -19.6526 193.959 40.021 -163.562 PRESSAVG: 1979200 81.5265 -53.5224 5.45712 -53.5224 -60.1217 24.2989 5.45707 24.2986 -38.7152 GPRESSAVG: 1979200 81.8389 -52.8257 4.8005 -53.5263 -61.1175 22.0836 5.83827 24.9997 -38.1466 TIMING: 1979200 CPU: 5910.54, 0.00294586/step Wall: 5910.54, 0.00294586/step, 2.47191 hours remaining, 206.714844 MB of memory in use. ENERGY: 1979200 743.5511 2101.7556 1924.6261 110.0286 -205890.6187 17528.1386 0.0000 0.0000 34057.7503 -149424.7684 297.4348 -183482.5187 -149327.0400 297.7493 -93.9160 -62.1182 557810.4785 -5.7701 -5.8084 PRESSURE: 1979400 -268.311 -26.8298 -133.924 -26.8304 173.643 119.719 -133.924 119.72 21.8891 GPRESSURE: 1979400 -205.775 0.0763369 -97.1227 -51.8313 182.674 111.387 -91.259 124.53 38.4825 PRESSAVG: 1979400 44.5529 -30.1752 15.9003 -30.1752 -23.5556 33.5768 15.9003 33.5768 21.5374 GPRESSAVG: 1979400 44.499 -27.6959 17.8564 -32.323 -22.8597 33.6069 17.0015 33.2706 21.266 TIMING: 1979400 CPU: 5911.13, 0.00295568/step Wall: 5911.13, 0.00295568/step, 2.47998 hours remaining, 206.714844 MB of memory in use. ENERGY: 1979400 770.4422 2063.0552 1919.2283 124.5610 -206362.0138 17721.9044 0.0000 0.0000 34347.6044 -149415.2184 299.9662 -183762.8227 -149315.4406 298.2116 -24.2599 5.1273 556586.6741 14.1782 14.3018 PRESSURE: 1979600 4.41134 23.0962 -181.82 23.0964 -69.3183 58.575 -181.82 58.5754 -252.177 GPRESSURE: 1979600 -22.8568 -5.01922 -224.242 101.869 -59.4441 100.181 -261.224 85.2938 -136.144 PRESSAVG: 1979600 -9.2473 -50.0058 -68.0813 -50.0058 31.3998 7.50901 -68.0813 7.50894 -7.58966 GPRESSAVG: 1979600 -8.91355 -50.2008 -68.7751 -48.2501 31.9063 8.55258 -69.7198 7.70372 -7.93909 TIMING: 1979600 CPU: 5911.72, 0.00296185/step Wall: 5911.72, 0.00296185/step, 2.48499 hours remaining, 206.714844 MB of memory in use. ENERGY: 1979600 770.5082 2089.1534 1931.9375 119.8648 -206249.1049 17778.4055 0.0000 0.0000 34051.8183 -149507.4172 297.3830 -183559.2355 -149408.0434 298.3918 -105.6946 -72.8149 557500.7503 4.8543 5.0179 PRESSURE: 1979800 -196.816 -171.531 -82.1868 -171.532 -68.0248 -89.1615 -82.1884 -89.16 -71.4409 GPRESSURE: 1979800 -198.443 -212.306 -79.5093 -197.299 -1.76682 -96.473 -25.5168 -190.663 -16.6157 PRESSAVG: 1979800 3.06207 20.6554 -16.7079 20.6553 23.6964 -1.92216 -16.708 -1.9221 -45.9498 GPRESSAVG: 1979800 2.51473 18.4762 -15.2034 20.4386 23.5045 -0.852734 -19.1256 -2.38244 -45.7974 TIMING: 1979800 CPU: 5912.32, 0.00295193/step Wall: 5912.32, 0.00295193/step, 2.47651 hours remaining, 206.714844 MB of memory in use. ENERGY: 1979800 714.1260 2082.8386 1922.1081 107.3383 -206061.7143 17567.3910 0.0000 0.0000 34163.1667 -149504.7456 298.3554 -183667.9123 -149408.0772 298.9068 -112.0939 -72.2752 556572.3942 -6.3971 -6.5927 PRESSURE: 1980000 -11.6511 10.3615 10.5592 10.3615 -319.381 -68.1083 10.5602 -68.1069 -49.6405 GPRESSURE: 1980000 90.4317 18.922 84.8041 30.0373 -275.036 -196.03 -17.3341 11.1214 -93.4657 PRESSAVG: 1980000 -46.325 -20.7899 0.559511 -20.7899 7.8536 22.2431 0.559521 22.243 27.8307 GPRESSAVG: 1980000 -46.4651 -19.7248 -1.65015 -19.1425 7.93465 19.9674 4.39066 22.0138 28.0965 TIMING: 1980000 CPU: 5912.91, 0.00296885/step Wall: 5912.91, 0.00296885/step, 2.49054 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1980000 767.8914 2087.4077 1960.9656 116.2973 -205991.5284 17617.0791 0.0000 0.0000 34215.2108 -149226.6766 298.8099 -183441.8874 -149129.0634 298.7556 -126.8909 -92.6899 556843.8700 -3.5469 -3.4780 PRESSURE: 1980200 -253.892 76.9781 -13.7662 76.9774 262.884 1.19407 -13.7657 1.19328 -348.62 GPRESSURE: 1980200 -222.76 128.936 82.3441 54.16 262.15 58.3241 -117.106 0.660808 -275.374 PRESSAVG: 1980200 68.7752 45.0113 -11.5981 45.0114 7.61595 -1.17341 -11.598 -1.17345 -22.5836 GPRESSAVG: 1980200 69.8335 45.8445 -9.19968 42.9496 5.60129 -0.300979 -13.1897 -0.720388 -22.0082 TIMING: 1980200 CPU: 5913.51, 0.00300401/step Wall: 5913.51, 0.00300401/step, 2.51987 hours remaining, 206.714844 MB of memory in use. ENERGY: 1980200 730.2085 2070.0710 1948.1299 95.1564 -205856.0365 17564.2821 0.0000 0.0000 34010.8374 -149437.3511 297.0251 -183448.1885 -149333.8890 298.5642 -113.2094 -78.6612 556098.8673 17.9359 17.8088 LDB: ============= START OF LOAD BALANCING ============== 5917.06 LDB: ============== END OF LOAD BALANCING =============== 5917.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5917.06 LDB: ============= START OF LOAD BALANCING ============== 5917.36 LDB: Largest compute 4773 load 0.030640 is 25.9% of average load 0.118124 LDB: Average compute 0.001734 is 1.5% of average load 0.118124 LDB: TIME 5917.36 LOAD: AVG 0.118124 MAX 0.202511 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.738 MB LDB: TIME 5917.36 LOAD: AVG 0.118124 MAX 0.202511 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.941 MB LDB: TIME 5917.36 LOAD: AVG 0.118124 MAX 0.202511 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.941 MB LDB: ============== END OF LOAD BALANCING =============== 5917.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5917.37 PRESSURE: 1980400 183.843 -16.3477 169.843 -16.3476 -61.1067 -178.796 169.844 -178.795 120.99 GPRESSURE: 1980400 193.661 -109.887 116.218 69.5197 3.81114 -213.345 92.9078 -162.903 149.015 PRESSAVG: 1980400 10.3805 -48.6843 15.0339 -48.6843 -12.2393 -50.5517 15.0338 -50.5517 -14.8632 GPRESSAVG: 1980400 9.79107 -50.5168 13.4348 -44.5276 -11.0664 -50.0461 14.8674 -49.8593 -15.7558 TIMING: 1980400 CPU: 5914.12, 0.00303785/step Wall: 5914.12, 0.00303785/step, 2.54808 hours remaining, 207.484375 MB of memory in use. ENERGY: 1980400 725.2534 2101.8382 1941.6862 115.8633 -206172.4923 17856.4402 0.0000 0.0000 34217.2586 -149214.1525 298.8278 -183431.4110 -149119.4908 298.8973 81.2420 115.4957 556299.8368 -5.5740 -5.6770 PRESSURE: 1980600 223.249 22.6285 161.064 22.628 -121.655 -114.97 161.063 -114.968 -136.524 GPRESSURE: 1980600 208.254 -14.2996 91.2502 16.4421 -93.2978 -168.544 207.857 -79.7245 -35.8979 PRESSAVG: 1980600 28.3882 -4.48748 2.11549 -4.48748 -72.3492 -21.8578 2.11549 -21.8578 87.0082 GPRESSAVG: 1980600 28.3592 -3.72885 3.20754 -6.32198 -74.7508 -21.8597 2.5907 -22.8443 89.4718 TIMING: 1980600 CPU: 5914.72, 0.00299296/step Wall: 5914.72, 0.00299296/step, 2.51026 hours remaining, 207.484375 MB of memory in use. ENERGY: 1980600 748.3913 2119.2383 1946.7717 119.2038 -206489.5610 18030.3811 0.0000 0.0000 34227.7051 -149297.8697 298.9191 -183525.5749 -149203.9882 299.4724 -11.6433 26.3529 557122.9563 14.3491 14.3601 PRESSURE: 1980800 -79.3845 78.2313 12.1338 78.2317 -317.077 116.924 12.1332 116.925 -132.881 GPRESSURE: 1980800 -31.4133 60.1439 54.5599 83.7824 -294.759 159.001 -19.0348 128.651 -117.852 PRESSAVG: 1980800 30.9071 -10.7749 21.3901 -10.7748 13.5466 30.51 21.3901 30.5099 -27.6904 GPRESSAVG: 1980800 30.1282 -10.4319 23.2865 -12.3482 14.9833 29.2971 18.9506 30.7421 -29.0426 TIMING: 1980800 CPU: 5915.31, 0.00296383/step Wall: 5915.31, 0.00296383/step, 2.48567 hours remaining, 207.484375 MB of memory in use. ENERGY: 1980800 749.5445 2046.6594 1955.7104 123.3097 -206095.3932 17758.4544 0.0000 0.0000 34331.7222 -149129.9926 299.8275 -183461.7148 -149035.7266 299.2578 -176.4476 -148.0081 558391.2978 5.5878 5.3563 PRESSURE: 1981000 46.1669 50.8071 -215.617 50.8073 -195.61 -48.8552 -215.615 -48.856 194.062 GPRESSURE: 1981000 53.0563 -8.15578 -135.301 66.5619 -167.044 -36.9949 -268.631 -11.4564 244.663 PRESSAVG: 1981000 -51.9863 57.6279 23.4374 57.6279 24.4144 -31.0739 23.4373 -31.0738 26.4354 GPRESSAVG: 1981000 -50.9934 56.184 19.9445 59.4362 24.4421 -28.9128 27.2936 -31.1166 25.3218 TIMING: 1981000 CPU: 5915.9, 0.00295044/step Wall: 5915.9, 0.00295044/step, 2.47427 hours remaining, 207.484375 MB of memory in use. ENERGY: 1981000 742.9670 2101.4965 1959.8511 113.7048 -206286.9916 17880.4324 0.0000 0.0000 34333.2253 -149155.3145 299.8406 -183488.5398 -149062.4996 299.8798 14.8731 43.5584 558077.6229 -0.3788 -0.4098 PRESSURE: 1981200 -85.1794 46.2146 48.795 46.2156 -145.045 -62.6026 48.7947 -62.6034 421.946 GPRESSURE: 1981200 -29.9955 61.5425 55.8194 -41.8229 -94.6367 9.48375 117.23 -129.601 411.001 PRESSAVG: 1981200 -10.8555 38.12 16.9098 38.12 -76.1685 16.3713 16.9098 16.3712 70.4579 GPRESSAVG: 1981200 -10.6337 40.1374 20.6282 39.149 -76.5825 15.3034 12.758 16.7838 70.3237 TIMING: 1981200 CPU: 5916.49, 0.0029481/step Wall: 5916.49, 0.0029481/step, 2.47215 hours remaining, 207.484375 MB of memory in use. ENERGY: 1981200 738.8310 2156.0604 1927.4992 111.2191 -206572.4767 17935.2812 0.0000 0.0000 34475.4824 -149228.1033 301.0830 -183703.5857 -149127.8587 299.4274 63.9072 95.4562 558032.7003 -5.5221 -5.6309 PRESSURE: 1981400 124.193 38.2318 -109.364 38.2322 -46.6497 141.954 -109.365 141.955 -131.782 GPRESSURE: 1981400 138.269 -49.3809 -125.966 102.844 -7.6175 63.0986 -108.702 164.925 -99.5317 PRESSAVG: 1981400 -17.948 -15.1758 27.6044 -15.1758 -28.8083 52.4167 27.6044 52.4167 44.3071 GPRESSAVG: 1981400 -18.1993 -14.8655 23.8125 -18.7581 -30.0139 53.2306 30.0018 52.7927 45.6394 TIMING: 1981400 CPU: 5917.08, 0.00294824/step Wall: 5917.08, 0.00294824/step, 2.4721 hours remaining, 207.484375 MB of memory in use. ENERGY: 1981400 731.6930 2121.6959 1946.4904 100.9684 -206353.5497 17761.4569 0.0000 0.0000 34479.2344 -149212.0107 301.1157 -183691.2450 -149112.1316 299.7230 -18.0793 10.3733 557301.3824 -0.8164 -0.8579 PRESSURE: 1981600 -7.51794 -2.98837 56.1867 -2.98846 -23.6574 -18.7233 56.1858 -18.7236 6.11684 GPRESSURE: 1981600 51.6516 -9.74735 46.9841 32.7628 -10.5588 10.8718 33.4041 17.7574 23.9386 PRESSAVG: 1981600 18.4183 -30.7013 -7.37178 -30.7014 41.8604 14.5444 -7.37187 14.5446 -46.7917 GPRESSAVG: 1981600 17.616 -31.3759 -6.09981 -29.053 44.1286 13.8071 -7.8674 13.2466 -48.4575 TIMING: 1981600 CPU: 5917.67, 0.00293683/step Wall: 5917.67, 0.00293683/step, 2.46237 hours remaining, 207.484375 MB of memory in use. ENERGY: 1981600 737.4933 2051.7104 1935.5358 106.7555 -206135.2902 17875.8931 0.0000 0.0000 34419.4177 -149008.4843 300.5933 -183427.9021 -148905.4699 299.6771 -8.3528 21.6771 558578.5139 4.4956 4.4290 PRESSURE: 1981800 143.897 -49.9273 -41.5568 -49.9267 403.482 -26.8895 -41.5555 -26.8884 337.934 GPRESSURE: 1981800 244.987 -111.011 -26.2309 -6.15344 395.834 18.9901 -99.2479 -75.0325 353.768 PRESSAVG: 1981800 -12.6626 20.678 11.3468 20.678 -0.0997031 2.7954 11.3468 2.79549 9.61433 GPRESSAVG: 1981800 -12.4698 20.2923 11.8586 20.5635 -2.10749 2.43682 12.3574 2.98939 11.4739 TIMING: 1981800 CPU: 5918.25, 0.00293554/step Wall: 5918.25, 0.00293554/step, 2.46112 hours remaining, 207.484375 MB of memory in use. ENERGY: 1981800 751.3183 2064.0156 1930.9452 109.4618 -206436.8179 18308.1730 0.0000 0.0000 34221.2467 -149051.6573 298.8627 -183272.9040 -148956.0920 299.6813 295.1042 331.5296 558873.4773 -1.0493 -1.0345 PRESSURE: 1982000 104.95 77.4116 -149.301 77.4133 94.7786 -116.894 -149.301 -116.892 45.0486 GPRESSURE: 1982000 140.038 113.739 -163.3 157.732 152.776 -156.636 -169.041 -78.5197 60.891 PRESSAVG: 1982000 10.3477 22.3711 7.96532 22.3711 50.5038 7.58403 7.9653 7.58411 -36.9639 GPRESSAVG: 1982000 11.6635 21.446 5.42738 23.1777 51.8804 7.16998 7.94648 7.88691 -39.5728 TIMING: 1982000 CPU: 5918.84, 0.00294883/step Wall: 5918.84, 0.00294883/step, 2.4721 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1982000 720.1612 2155.8097 1931.8919 107.8880 -206483.0862 18044.6336 0.0000 0.0000 34449.4857 -149073.2161 300.8559 -183522.7018 -148979.6185 300.0838 81.5924 117.9018 557288.6752 7.9625 7.9904 PRESSURE: 1982200 -9.51209 -3.4582 102.622 -3.45681 -38.3567 105.869 102.623 105.868 50.6253 GPRESSURE: 1982200 65.2608 -114.286 -11.0661 29.9457 -16.0679 155.007 51.8257 86.8611 49.301 PRESSAVG: 1982200 33.0491 -49.3895 27.3576 -49.3895 6.10532 -1.87593 27.3576 -1.87603 -43.402 GPRESSAVG: 1982200 30.6625 -49.0372 28.0204 -51.2669 6.31703 -1.73721 27.5035 -1.10154 -41.2789 TIMING: 1982200 CPU: 5919.43, 0.00296217/step Wall: 5919.43, 0.00296217/step, 2.48312 hours remaining, 207.484375 MB of memory in use. ENERGY: 1982200 697.7788 2050.9098 1957.0016 102.8330 -205987.5261 17667.3881 0.0000 0.0000 34315.7090 -149195.9058 299.6876 -183511.6148 -149095.2669 299.8649 0.9188 32.8313 558274.3775 -1.4159 -1.4331 PRESSURE: 1982400 16.5493 26.721 -82.5103 26.72 61.1342 -82.4947 -82.509 -82.4964 -196.27 GPRESSURE: 1982400 67.3832 10.223 -13.1142 -3.61324 46.9473 -37.1505 -89.9275 1.17898 -135.116 PRESSAVG: 1982400 13.5207 23.7467 1.30521 23.7466 41.658 -10.8389 1.30527 -10.8389 -29.3542 GPRESSAVG: 1982400 14.2669 25.6012 2.46563 23.8118 40.9602 -9.80748 1.0996 -12.6303 -29.6717 TIMING: 1982400 CPU: 5920.02, 0.00293135/step Wall: 5920.02, 0.00293135/step, 2.45712 hours remaining, 207.484375 MB of memory in use. ENERGY: 1982400 760.8847 2065.7130 1943.8655 108.6713 -206227.9380 17769.3520 0.0000 0.0000 34451.1374 -149128.3141 300.8704 -183579.4515 -149028.8190 299.7177 -39.5289 -6.9285 556467.9248 8.6082 8.5185 PRESSURE: 1982600 -91.2846 -309.89 1.247 -309.889 94.1508 84.3165 1.24605 84.317 -108.808 GPRESSURE: 1982600 -53.3601 -222.251 93.261 -323.506 101.714 172.206 -96.4389 39.9889 -45.6601 PRESSAVG: 1982600 20.2846 7.73381 -7.85309 7.73379 31.4167 51.5215 -7.85316 51.5215 -51.5182 GPRESSAVG: 1982600 20.8658 5.72598 -7.11756 10.4419 31.9454 51.1885 -9.32263 51.0525 -52.1183 TIMING: 1982600 CPU: 5920.61, 0.00295239/step Wall: 5920.61, 0.00295239/step, 2.4746 hours remaining, 207.484375 MB of memory in use. ENERGY: 1982600 747.6541 2106.7987 1954.0804 108.1959 -206131.0050 17764.6399 0.0000 0.0000 34380.2905 -149069.3455 300.2516 -183449.6360 -148979.2687 300.3397 -35.3138 0.8981 557123.1192 0.0610 0.2310 PRESSURE: 1982800 145.929 -69.32 223.614 -69.3196 124.505 -162.125 223.614 -162.127 -18.569 GPRESSURE: 1982800 197.151 -107.684 207.618 -65.9835 103.726 -116.08 107.763 -91.0599 55.1148 PRESSAVG: 1982800 35.6514 -21.1749 -2.65989 -21.1749 13.9642 -9.80508 -2.65984 -9.80509 -56.4426 GPRESSAVG: 1982800 35.7009 -22.3417 -2.68059 -22.6151 13.1981 -9.50658 -4.07432 -10.3068 -55.6515 TIMING: 1982800 CPU: 5921.21, 0.00296927/step Wall: 5921.21, 0.00296927/step, 2.48858 hours remaining, 207.484375 MB of memory in use. ENERGY: 1982800 766.3083 2077.0666 1949.6833 102.5652 -206521.2364 18083.2391 0.0000 0.0000 34487.1753 -149055.1986 301.1851 -183542.3739 -148957.5982 300.4427 83.9550 118.6642 556900.4835 -2.2757 -2.2509 PRESSURE: 1983000 -38.462 36.0535 101.613 36.0541 -230.541 63.7304 101.613 63.7287 -148.046 GPRESSURE: 1983000 -18.7656 44.1951 140.926 -3.41881 -193.381 83.4724 38.6996 57.608 -110.129 PRESSAVG: 1983000 -7.23794 -18.8144 6.81097 -18.8144 70.9416 -4.03421 6.81092 -4.03426 -37.7487 GPRESSAVG: 1983000 -8.24039 -17.8868 5.3628 -18.3902 71.3547 -4.14285 8.9618 -3.34439 -36.7946 TIMING: 1983000 CPU: 5921.8, 0.00296573/step Wall: 5921.8, 0.00296573/step, 2.48544 hours remaining, 207.484375 MB of memory in use. ENERGY: 1983000 758.8487 2147.1543 1939.7443 117.8087 -206015.9973 17701.2506 0.0000 0.0000 34286.5783 -149064.6124 299.4332 -183351.1908 -148966.5651 300.7203 -139.0163 -107.4252 558194.5443 8.6517 8.7733 PRESSURE: 1983200 -15.1316 7.44583 -31.8792 7.44611 319.681 33.6538 -31.8794 33.6553 106.083 GPRESSURE: 1983200 72.7044 29.7885 -28.0212 -18.6079 353.085 4.11629 62.6885 -31.8466 88.854 PRESSAVG: 1983200 -7.19058 20.8406 73.5538 20.8405 -15.4122 5.76422 73.5538 5.76433 5.14142 GPRESSAVG: 1983200 -6.32698 21.6283 74.1236 20.1841 -13.7995 6.60009 73.9504 5.277 3.28025 TIMING: 1983200 CPU: 5922.4, 0.00299783/step Wall: 5922.4, 0.00299783/step, 2.51218 hours remaining, 207.484375 MB of memory in use. ENERGY: 1983200 737.7586 2119.3188 1923.5677 111.4510 -206248.0964 17932.3906 0.0000 0.0000 34307.3513 -149116.2583 299.6146 -183423.6097 -149019.2585 299.7496 136.8777 171.5478 555395.6056 -5.8204 -5.6154 PRESSURE: 1983400 -70.5249 145.869 -108.101 145.869 -111.165 -102.636 -108.101 -102.637 -158.659 GPRESSURE: 1983400 -1.42309 128.489 -103.472 154.693 -89.2584 -157.306 -96.3394 -90.6502 -139.109 PRESSAVG: 1983400 12.2004 -11.7387 31.045 -11.7387 14.8707 -2.36907 31.045 -2.369 -1.85923 GPRESSAVG: 1983400 12.601 -12.469 31.1863 -10.7349 13.5309 -5.91742 30.4823 0.262745 -0.954013 TIMING: 1983400 CPU: 5923, 0.00299036/step Wall: 5923, 0.00299036/step, 2.50575 hours remaining, 207.484375 MB of memory in use. ENERGY: 1983400 739.3138 2092.4582 1922.9042 104.2327 -206503.1271 17867.0425 0.0000 0.0000 34513.8117 -149263.3640 301.4177 -183777.1757 -149164.7736 299.3017 -113.4499 -76.5968 556621.2363 8.4039 8.3926 PRESSURE: 1983600 -69.6578 -90.8173 -133.894 -90.817 -191.35 -117.437 -133.894 -117.437 -243.38 GPRESSURE: 1983600 -42.8118 -61.5256 -67.1299 -56.9623 -229.616 -71.6193 -234.651 -167.192 -141.321 PRESSAVG: 1983600 -0.997033 3.37954 38.2914 3.37959 14.1411 -55.7836 38.2914 -55.7835 -38.4425 GPRESSAVG: 1983600 -0.651781 3.95042 37.5612 2.24361 14.2056 -52.3991 38.56 -56.3892 -38.6267 TIMING: 1983600 CPU: 5923.59, 0.00299013/step Wall: 5923.59, 0.00299013/step, 2.50539 hours remaining, 207.484375 MB of memory in use. ENERGY: 1983600 754.1366 2080.9741 1943.5495 104.6477 -206109.8046 17584.5266 0.0000 0.0000 34300.5276 -149341.4424 299.5550 -183641.9700 -149249.1034 299.5394 -168.1293 -137.9163 557430.3608 -8.4328 -8.3576 PRESSURE: 1983800 130.804 -97.6617 -136.868 -97.6627 -165.937 -71.7602 -136.867 -71.7592 -118.177 GPRESSURE: 1983800 224.809 -5.58787 -139.95 -84.7052 -178.465 -39.6661 -113.018 -89.7588 -101.798 PRESSAVG: 1983800 23.6074 -7.12396 0.26733 -7.12398 -2.58968 -31.583 0.267314 -31.583 -0.762538 GPRESSAVG: 1983800 22.6882 -7.10894 0.388438 -8.46494 -2.71773 -31.7975 1.48875 -34.1123 0.167268 TIMING: 1983800 CPU: 5924.19, 0.00296789/step Wall: 5924.19, 0.00296789/step, 2.4866 hours remaining, 207.484375 MB of memory in use. ENERGY: 1983800 732.7198 2129.6157 1933.3261 107.3948 -206252.7173 17677.4364 0.0000 0.0000 34306.3516 -149365.8730 299.6059 -183672.2245 -149267.8270 299.4058 -51.1035 -18.4846 557118.5390 6.7517 6.7126 PRESSURE: 1984000 38.2142 -158.034 -128.454 -158.035 -16.1911 -110.36 -128.452 -110.358 -141.951 GPRESSURE: 1984000 67.9252 -130.239 -101.585 -175.115 34.2889 -132.813 -128.838 -112.345 -128.859 PRESSAVG: 1984000 -28.6721 57.4618 -18.1471 57.4617 46.7486 7.03053 -18.1473 7.03044 -22.479 GPRESSAVG: 1984000 -28.076 55.7233 -16.6089 59.6039 46.5045 5.63786 -19.0168 8.43813 -22.8299 TIMING: 1984000 CPU: 5924.78, 0.00294502/step Wall: 5924.78, 0.00294502/step, 2.46727 hours remaining, 207.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1984000 749.7577 2060.7832 1940.6155 109.7892 -206414.2346 17953.1562 0.0000 0.0000 34232.7072 -149367.4256 298.9627 -183600.1328 -149268.2706 299.0050 -39.9759 -8.8817 557373.3786 -1.4675 -1.4671 PRESSURE: 1984200 -7.31524 -95.7616 240.707 -95.7618 -96.1763 -107.274 240.706 -107.273 174.34 GPRESSURE: 1984200 89.092 -109.922 257.547 -84.6033 -45.3304 -117.475 154.951 -48.6733 132.585 PRESSAVG: 1984200 10.0808 26.2316 2.0097 26.2317 11.5256 -37.228 2.0097 -37.228 -20.2535 GPRESSAVG: 1984200 9.45277 25.4887 1.7339 25.0357 12.2522 -37.0271 2.30791 -36.8162 -20.1062 TIMING: 1984200 CPU: 5925.36, 0.00292942/step Wall: 5925.36, 0.00292943/step, 2.45404 hours remaining, 207.554688 MB of memory in use. ENERGY: 1984200 765.3981 2117.8005 1920.0905 109.2919 -206168.7377 17760.8086 0.0000 0.0000 34098.5237 -149396.8244 297.7909 -183495.3481 -149300.1331 299.0931 23.6161 58.7823 556467.6985 0.4510 0.5329 LDB: ============= START OF LOAD BALANCING ============== 5928.91 LDB: ============== END OF LOAD BALANCING =============== 5928.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5928.91 LDB: ============= START OF LOAD BALANCING ============== 5929.21 LDB: Largest compute 4773 load 0.031222 is 26.4% of average load 0.118095 LDB: Average compute 0.001728 is 1.5% of average load 0.118095 LDB: TIME 5929.21 LOAD: AVG 0.118095 MAX 0.19753 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.051 MB LDB: TIME 5929.21 LOAD: AVG 0.118095 MAX 0.19753 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.254 MB LDB: TIME 5929.21 LOAD: AVG 0.118095 MAX 0.19753 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5929.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5929.21 PRESSURE: 1984400 -254.5 38.6156 22.348 38.6145 -338.533 -10.4956 22.3484 -10.4955 -168.716 GPRESSURE: 1984400 -274.134 77.7924 -22.2286 39.0697 -294.772 99.6275 83.1342 -41.9508 -99.6104 PRESSAVG: 1984400 -2.93825 -1.56437 -5.03797 -1.56431 -16.7997 -15.3301 -5.03804 -15.3301 19.5912 GPRESSAVG: 1984400 -3.58977 -1.16344 -6.39512 -1.6535 -15.7399 -14.8514 -4.68095 -17.4299 19.2496 TIMING: 1984400 CPU: 5925.96, 0.00300466/step Wall: 5925.96, 0.00300466/step, 2.5169 hours remaining, 206.515625 MB of memory in use. ENERGY: 1984400 759.5244 2122.9307 1903.1758 101.1051 -206330.2598 17620.9098 0.0000 0.0000 34332.1982 -149490.4158 299.8316 -183822.6139 -149391.0047 298.2161 -253.9163 -222.8386 558547.7531 -0.0489 -0.0267 PRESSURE: 1984600 -0.183581 71.9611 -41.8424 71.9614 -117.629 36.0042 -41.8433 36.0039 -223.097 GPRESSURE: 1984600 17.1297 103.976 12.0235 30.58 -84.0197 6.41365 2.67186 11.9127 -193.705 PRESSAVG: 1984600 -49.3428 40.3109 -28.5271 40.3109 29.0276 2.82672 -28.5271 2.82676 -8.36575 GPRESSAVG: 1984600 -48.5618 41.9124 -26.6615 39.3254 29.424 4.17317 -30.2002 3.54871 -9.29396 TIMING: 1984600 CPU: 5926.55, 0.00295445/step Wall: 5926.55, 0.00295445/step, 2.47468 hours remaining, 206.515625 MB of memory in use. ENERGY: 1984600 752.6417 2159.6853 1932.9458 106.9175 -206254.2930 17772.9544 0.0000 0.0000 34271.9795 -149257.1687 299.3057 -183529.1482 -149161.3091 298.9193 -113.6367 -86.8650 557728.1170 -9.5603 -9.4773 PRESSURE: 1984800 15.4638 71.0569 14.2028 71.0556 -106.776 -97.7341 14.2036 -97.7334 15.172 GPRESSURE: 1984800 34.6118 125.288 12.2236 79.3162 -88.1925 -114.222 -26.5837 -119.762 74.4353 PRESSAVG: 1984800 53.9246 -3.6711 -2.73465 -3.67101 -20.8174 -0.24337 -2.73453 -0.24341 1.62706 GPRESSAVG: 1984800 53.265 -3.29566 -4.76674 -3.34777 -21.7193 -1.93817 -1.89726 0.720991 3.1004 TIMING: 1984800 CPU: 5927.15, 0.00295498/step Wall: 5927.15, 0.00295498/step, 2.47496 hours remaining, 206.515625 MB of memory in use. ENERGY: 1984800 774.7097 2141.6926 1955.8676 109.9048 -206406.4353 17864.5374 0.0000 0.0000 34225.5509 -149334.1723 298.9002 -183559.7232 -149236.6439 299.5704 -25.3800 6.9515 556562.3478 11.5781 11.5487 PRESSURE: 1985000 -150.285 96.762 10.8177 96.7626 -200.263 303.534 10.8176 303.534 7.49447 GPRESSURE: 1985000 -201.641 86.4248 37.8429 156.605 -105.44 274.847 -13.5346 398.118 66.1904 PRESSAVG: 1985000 12.165 -7.0163 -6.6191 -7.01631 -23.9041 -25.0336 -6.61918 -25.0335 35.6598 GPRESSAVG: 1985000 13.2388 -7.04548 -5.16192 -7.31338 -24.204 -23.8652 -8.2161 -25.9188 34.8513 TIMING: 1985000 CPU: 5927.74, 0.00296392/step Wall: 5927.74, 0.00296392/step, 2.48229 hours remaining, 206.515625 MB of memory in use. ENERGY: 1985000 746.4631 2136.1349 1910.3906 103.9064 -206277.8594 17633.3819 0.0000 0.0000 34369.6372 -149377.9453 300.1586 -183747.5825 -149277.1159 299.2038 -114.3512 -80.2969 556943.5511 7.9736 7.9620 PRESSURE: 1985200 -207.532 196.985 -59.5019 196.986 49.275 -30.7137 -59.5018 -30.7131 8.0535 GPRESSURE: 1985200 -139.513 181.991 -53.8169 185.795 78.9324 -108.526 15.402 -64.3858 6.98215 PRESSAVG: 1985200 -20.618 6.72511 15.6084 6.72516 -5.96185 21.374 15.6084 21.374 -5.00233 GPRESSAVG: 1985200 -20.1009 5.28755 16.1492 8.90736 -6.88718 20.7213 18.0726 21.137 -4.23907 TIMING: 1985200 CPU: 5928.33, 0.00297248/step Wall: 5928.33, 0.00297248/step, 2.48929 hours remaining, 206.515625 MB of memory in use. ENERGY: 1985200 800.7946 2118.5342 1926.9322 105.6288 -206466.7663 17778.5167 0.0000 0.0000 34274.5824 -149461.7773 299.3285 -183736.3597 -149370.3702 298.9391 -50.0679 -17.8662 557062.4577 -10.5274 -10.4091 PRESSURE: 1985400 -84.6169 189.188 18.4823 189.188 51.0555 16.5084 18.4821 16.5075 -342.162 GPRESSURE: 1985400 -39.4128 257.828 20.0348 196.993 25.7793 -46.6233 96.9874 29.3863 -269.284 PRESSAVG: 1985400 -11.2309 17.0776 27.7236 17.0776 36.2142 35.6533 27.7237 35.6533 -47.2683 GPRESSAVG: 1985400 -11.4806 16.9218 27.1133 15.5816 37.1256 32.7293 25.7765 37.8612 -47.7867 TIMING: 1985400 CPU: 5928.93, 0.00297118/step Wall: 5928.93, 0.00297118/step, 2.48804 hours remaining, 206.515625 MB of memory in use. ENERGY: 1985400 752.6995 2094.1978 1930.8646 109.7942 -206152.1474 17797.9794 0.0000 0.0000 34029.3895 -149437.2224 297.1871 -183466.6119 -149342.3352 298.9099 -125.2412 -94.3057 559052.5243 -7.4283 -7.3806 PRESSURE: 1985600 -308.277 71.4466 167.443 71.4466 -245.037 -132.368 167.444 -132.368 48.3216 GPRESSURE: 1985600 -266.238 42.4786 53.0606 32.1613 -212.58 -85.9563 117.062 -131.978 80.9976 PRESSAVG: 1985600 -32.5956 -18.0571 -45.5925 -18.0571 5.54749 -9.29531 -45.5924 -9.29534 41.5809 GPRESSAVG: 1985600 -32.4919 -18.6976 -44.556 -15.6845 5.36642 -4.53758 -46.8924 -9.57468 41.4652 TIMING: 1985600 CPU: 5929.52, 0.00295865/step Wall: 5929.52, 0.00295865/step, 2.47738 hours remaining, 206.515625 MB of memory in use. ENERGY: 1985600 722.5203 2134.1614 1939.2927 116.5561 -205930.2262 17568.8428 0.0000 0.0000 34137.2776 -149311.5752 298.1293 -183448.8528 -149220.8166 298.6145 -168.3308 -132.6066 559426.6503 4.8443 4.7799 PRESSURE: 1985800 -60.6068 -42.3174 -34.7213 -42.3159 -374.02 -155.343 -34.7212 -155.342 -367.417 GPRESSURE: 1985800 19.1214 -51.0296 56.6935 -111.736 -285.683 -210.012 -98.7888 -115.718 -431.357 PRESSAVG: 1985800 -39.218 -8.60043 -3.65761 -8.60035 -59.3102 9.64343 -3.65768 9.64351 78.455 GPRESSAVG: 1985800 -38.7027 -7.96021 -5.3638 -10.3785 -59.5383 10.1715 -1.31269 8.50999 78.0955 TIMING: 1985800 CPU: 5930.11, 0.00296101/step Wall: 5930.11, 0.00296101/step, 2.47919 hours remaining, 206.515625 MB of memory in use. ENERGY: 1985800 769.1864 2150.8515 1930.2899 106.3490 -205821.2241 17533.6207 0.0000 0.0000 34372.0018 -148958.9249 300.1792 -183330.9266 -148862.6021 299.2859 -267.3478 -232.6394 560326.3089 -6.6910 -6.7152 PRESSURE: 1986000 78.66 -194.625 24.6469 -194.624 -60.2334 -132.714 24.646 -132.713 -15.5017 GPRESSURE: 1986000 122.523 -126.028 15.955 -279.503 -21.4234 -26.3133 82.1147 -142.272 -2.42668 PRESSAVG: 1986000 27.8131 -23.1409 43.4414 -23.1408 1.40425 -6.03415 43.4414 -6.03415 -27.2455 GPRESSAVG: 1986000 26.755 -23.1098 42.3095 -23.212 1.86898 -9.68194 42.621 -3.40814 -26.006 TIMING: 1986000 CPU: 5930.7, 0.00295981/step Wall: 5930.7, 0.00295981/step, 2.47802 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1986000 744.2401 2068.9182 1955.8011 110.6786 -205867.7207 17604.6025 0.0000 0.0000 34277.1945 -149106.2857 299.3513 -183383.4802 -149003.8572 299.6677 0.9750 32.8908 557881.2238 0.6573 0.8727 PRESSURE: 1986200 28.1839 68.0816 -60.6599 68.0815 -126.315 -19.3211 -60.6606 -19.3205 208.54 GPRESSURE: 1986200 111.377 35.9247 -28.485 24.66 -70.1894 -54.7845 -117.637 7.06607 179.368 PRESSAVG: 1986200 65.0416 -77.1813 -9.35972 -77.1814 -22.2935 -51.5581 -9.3597 -51.5581 28.8325 GPRESSAVG: 1986200 66.4324 -77.2132 -9.721 -76.7114 -22.7987 -50.3837 -7.8437 -54.9339 27.8658 TIMING: 1986200 CPU: 5931.29, 0.00295718/step Wall: 5931.29, 0.00295718/step, 2.47565 hours remaining, 206.515625 MB of memory in use. ENERGY: 1986200 752.8034 2095.4018 1960.1978 121.8626 -206383.2107 17889.0784 0.0000 0.0000 34352.4696 -149211.3970 300.0087 -183563.8666 -149114.7292 300.1118 36.8032 73.5183 556603.4350 23.8602 23.8332 PRESSURE: 1986400 254.462 -150.845 55.0155 -150.845 102.612 108.387 55.0166 108.387 61.5007 GPRESSURE: 1986400 279.163 -126.927 66.0593 -156.947 175.504 118.111 134.401 -44.4338 59.067 PRESSAVG: 1986400 47.9715 -23.3459 -1.20185 -23.346 0.719105 45.0573 -1.20182 45.0573 -55.5771 GPRESSAVG: 1986400 48.1754 -22.7335 1.15177 -22.9025 1.02927 44.0537 -1.7058 47.088 -55.4146 TIMING: 1986400 CPU: 5931.88, 0.00294289/step Wall: 5931.88, 0.00294289/step, 2.46352 hours remaining, 206.515625 MB of memory in use. ENERGY: 1986400 749.1351 2118.1480 1943.9601 124.8681 -206211.0057 17893.0222 0.0000 0.0000 34083.5236 -149298.3486 297.6599 -183381.8722 -149211.7980 299.0983 139.5247 171.2447 555982.1228 -2.2955 -2.0700 PRESSURE: 1986600 145.5 154.911 176.948 154.911 -78.4871 74.3729 176.946 74.3711 195.831 GPRESSURE: 1986600 130.782 131.637 196.178 154.395 -6.92761 78.8861 161.522 147.088 226.639 PRESSAVG: 1986600 25.741 -39.6432 20.03 -39.6432 44.23 47.3926 20.03 47.3927 -14.0163 GPRESSAVG: 1986600 25.0762 -40.7974 20.1407 -38.7639 44.9734 46.2921 18.9585 47.3936 -13.9059 TIMING: 1986600 CPU: 5932.48, 0.00297943/step Wall: 5932.48, 0.00297943/step, 2.49395 hours remaining, 206.515625 MB of memory in use. ENERGY: 1986600 711.3404 2145.2391 1940.6049 95.1565 -206424.8155 17886.3060 0.0000 0.0000 34184.9927 -149461.1759 298.5460 -183646.1686 -149363.6819 299.0098 87.6148 116.8310 558119.4270 18.6516 18.7146 PRESSURE: 1986800 -306.163 -101.297 -173.777 -101.294 -57.7671 -86.7039 -173.777 -86.7049 -154.42 GPRESSURE: 1986800 -284.468 -0.890156 -158.893 -64.1994 -12.3121 -62.1731 -145.792 -138.514 -118.885 PRESSAVG: 1986800 18.9677 5.40106 21.7811 5.40104 16.8111 -7.86282 21.7812 -7.86292 -5.88187 GPRESSAVG: 1986800 18.9719 5.57519 20.8126 3.49183 16.0554 -4.58324 23.5158 -9.79248 -4.8789 TIMING: 1986800 CPU: 5933.07, 0.00295889/step Wall: 5933.07, 0.00295889/step, 2.47659 hours remaining, 206.515625 MB of memory in use. ENERGY: 1986800 750.1058 2113.0558 1938.6634 105.3309 -205812.1627 17559.1634 0.0000 0.0000 34061.1267 -149284.7168 297.4643 -183345.8435 -149186.8470 299.2173 -172.7834 -138.5550 558986.7400 9.9657 10.0495 PRESSURE: 1987000 -394.941 -119.3 67.4332 -119.3 -169.462 -91.7202 67.4324 -91.7213 -228.388 GPRESSURE: 1987000 -337.851 -118.032 93.1337 -58.6537 -142.321 -76.8419 69.4276 -137.197 -212.149 PRESSAVG: 1987000 30.1975 -3.89117 12.8405 -3.8912 -11.5965 -30.9902 12.8404 -30.9902 -30.6593 GPRESSAVG: 1987000 30.1363 -5.22838 13.144 -2.4744 -11.9206 -32.9578 12.2537 -29.8052 -30.5303 TIMING: 1987000 CPU: 5933.67, 0.00300335/step Wall: 5933.67, 0.00300335/step, 2.51364 hours remaining, 206.515625 MB of memory in use. ENERGY: 1987000 770.6696 2092.8435 1924.3156 109.7003 -206203.1526 17565.2532 0.0000 0.0000 34309.9390 -149430.4313 299.6372 -183740.3704 -149331.1305 299.1809 -264.2637 -230.7738 558251.6908 -4.0194 -4.1049 PRESSURE: 1987200 -98.6801 -31.7324 172.809 -31.7315 -254.411 -17.5613 172.809 -17.5622 -77.791 GPRESSURE: 1987200 -89.6901 -91.0389 142.763 -53.5001 -212.498 -30.1743 158.016 34.2699 -49.4842 PRESSAVG: 1987200 35.6447 -19.6671 54.5851 -19.6672 28.4421 12.1005 54.5851 12.1006 -97.6732 GPRESSAVG: 1987200 36.0456 -17.9572 55.0788 -19.8748 28.614 13.2587 51.8123 12.8613 -98.0578 TIMING: 1987200 CPU: 5934.27, 0.00299197/step Wall: 5934.27, 0.00299197/step, 2.50395 hours remaining, 206.515625 MB of memory in use. ENERGY: 1987200 746.3045 2129.0417 1930.4335 111.6796 -206239.1341 17561.4811 0.0000 0.0000 34326.8231 -149433.3707 299.7847 -183760.1938 -149340.6789 298.9760 -143.6273 -117.2242 556967.4860 -11.1954 -11.1327 PRESSURE: 1987400 -70.3451 -71.006 -100.189 -71.0044 51.6506 -60.4011 -100.19 -60.401 -122.923 GPRESSURE: 1987400 -99.2461 -68.1216 -148.104 -39.6878 114.834 -31.1747 -51.9849 -88.3476 -49.39 PRESSAVG: 1987400 20.8689 11.7814 -63.653 11.7814 -21.6725 -30.9573 -63.6531 -30.9573 13.9757 GPRESSAVG: 1987400 21.3194 12.4403 -62.2684 10.5964 -22.1616 -32.1051 -61.2113 -31.721 14.3762 TIMING: 1987400 CPU: 5934.87, 0.00299255/step Wall: 5934.87, 0.00299255/step, 2.50427 hours remaining, 206.515625 MB of memory in use. ENERGY: 1987400 737.1793 2167.5914 1929.4999 109.8434 -206033.7479 17606.3463 0.0000 0.0000 34269.0627 -149214.2249 299.2802 -183483.2876 -149120.4776 299.7936 -47.2060 -11.2675 557393.1282 4.3907 4.5113 PRESSURE: 1987600 -169.576 -138.645 -146.941 -138.645 -65.0298 -60.9211 -146.941 -60.9229 -103.514 GPRESSURE: 1987600 -86.2113 -80.636 -103.365 -98.4952 -102.773 -76.9528 -142.49 -36.6208 -68.8403 PRESSAVG: 1987600 21.1706 61.6161 -66.2914 61.616 46.8769 -0.671655 -66.2914 -0.671579 -78.2978 GPRESSAVG: 1987600 21.2136 61.8756 -67.0488 60.9289 47.0692 0.92661 -66.6931 -2.28658 -78.3677 TIMING: 1987600 CPU: 5935.47, 0.00300213/step Wall: 5935.47, 0.00300213/step, 2.51212 hours remaining, 206.515625 MB of memory in use. ENERGY: 1987600 723.2098 2111.4248 1926.8701 113.4379 -205670.3495 17398.6692 0.0000 0.0000 34153.8641 -149242.8737 298.2742 -183396.7378 -149148.5695 299.4904 -112.7065 -85.9414 557527.2200 -3.4168 -3.3616 PRESSURE: 1987800 -75.3166 115.155 -31.2 115.156 -33.1461 41.3361 -31.1989 41.3342 -83.9737 GPRESSURE: 1987800 -69.9879 76.7845 -38.3941 22.7747 -10.5014 -4.91202 -40.6096 18.7604 -19.6428 PRESSAVG: 1987800 1.2112 51.1738 15.6512 51.1738 18.7572 -6.37604 15.6511 -6.37587 -13.492 GPRESSAVG: 1987800 1.0351 51.6703 14.4645 52.3601 18.5947 -6.19569 16.8115 -4.65437 -13.9126 TIMING: 1987800 CPU: 5936.06, 0.00297329/step Wall: 5936.06, 0.00297329/step, 2.48782 hours remaining, 206.515625 MB of memory in use. ENERGY: 1987800 734.7533 2074.9950 1946.3662 112.7459 -206251.3887 17715.7432 0.0000 0.0000 34571.8780 -149094.9070 301.9248 -183666.7850 -148992.9272 299.5494 -64.1455 -33.3774 556920.6562 2.1588 1.9057 PRESSURE: 1988000 45.5491 -128.652 35.927 -128.653 106.276 -41.6678 35.9277 -41.6662 174.007 GPRESSURE: 1988000 101.226 -103.761 87.2356 -132.706 138.783 37.7438 -26.5544 -16.8231 181.557 PRESSAVG: 1988000 -21.835 -13.3457 -14.1672 -13.3457 -6.92857 34.0468 -14.167 34.0467 13.0074 GPRESSAVG: 1988000 -22.4922 -14.5727 -13.8259 -11.5561 -7.6151 33.6885 -13.3737 34.4942 14.8152 TIMING: 1988000 CPU: 5936.66, 0.00298371/step Wall: 5936.66, 0.00298371/step, 2.49637 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1988000 737.3138 2136.8397 1945.9670 119.5115 -206016.1201 17712.1170 0.0000 0.0000 34377.4016 -148986.9695 300.2264 -183364.3711 -148883.7843 300.2687 108.6109 140.5218 556638.4066 -5.2521 -5.0974 PRESSURE: 1988200 138.389 -126.77 252.019 -126.771 104.354 -100.727 252.019 -100.729 -217.53 GPRESSURE: 1988200 144.624 -123.394 267.84 -81.6521 122.997 -61.3949 238.888 -83.1459 -135.512 PRESSAVG: 1988200 84.7311 -39.3048 -14.5547 -39.3048 -41.8902 -5.23474 -14.5547 -5.23467 -4.83569 GPRESSAVG: 1988200 84.3334 -38.0984 -12.4091 -41.6142 -39.7475 -3.73588 -14.6194 -6.20891 -6.48611 TIMING: 1988200 CPU: 5937.25, 0.00296832/step Wall: 5937.25, 0.00296832/step, 2.48333 hours remaining, 206.515625 MB of memory in use. ENERGY: 1988200 741.3557 2100.9611 1948.7386 102.8019 -206062.8424 17843.8790 0.0000 0.0000 34512.6207 -148812.4855 301.4073 -183325.1062 -148712.9113 300.3940 8.4042 44.0363 557484.9597 12.6684 12.6999 LDB: ============= START OF LOAD BALANCING ============== 5940.8 LDB: ============== END OF LOAD BALANCING =============== 5940.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5940.8 LDB: ============= START OF LOAD BALANCING ============== 5941.1 LDB: Largest compute 4773 load 0.031948 is 27.0% of average load 0.118169 LDB: Average compute 0.001734 is 1.5% of average load 0.118169 LDB: TIME 5941.11 LOAD: AVG 0.118169 MAX 0.200138 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.309 MB LDB: TIME 5941.11 LOAD: AVG 0.118169 MAX 0.200138 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.508 MB LDB: TIME 5941.11 LOAD: AVG 0.118169 MAX 0.200138 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.508 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5941.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5941.11 PRESSURE: 1988400 135.711 7.38144 145.843 7.38089 -126.446 -9.2475 145.842 -9.248 2.1438 GPRESSURE: 1988400 211.28 13.683 176.829 -9.37606 -113.408 -38.7356 89.5622 57.6273 9.72087 PRESSAVG: 1988400 53.7144 -28.8765 2.63246 -28.8765 54.1533 -59.1724 2.63251 -59.1724 -19.8523 GPRESSAVG: 1988400 54.9206 -30.5124 -0.538325 -28.8487 53.4827 -59.7923 1.89576 -57.2498 -20.5157 TIMING: 1988400 CPU: 5937.86, 0.00304387/step Wall: 5937.86, 0.00304387/step, 2.54636 hours remaining, 206.515625 MB of memory in use. ENERGY: 1988400 786.2099 2104.6989 1938.2255 114.9738 -206088.7272 17697.5239 0.0000 0.0000 34385.8742 -149061.2212 300.3004 -183447.0953 -148966.9515 300.6950 3.8031 35.8643 556848.9283 29.3385 29.2959 PRESSURE: 1988600 -276.962 -24.7947 -96.3174 -24.795 88.1297 -138.308 -96.3178 -138.306 -330.484 GPRESSURE: 1988600 -224.016 -25.8188 -90.4112 -10.56 53.5062 -126.694 -46.953 -234.646 -252.579 PRESSAVG: 1988600 -40.3911 -32.0352 38.5276 -32.0352 107.122 -45.9117 38.5274 -45.9116 -67.5381 GPRESSAVG: 1988600 -40.3915 -31.3515 39.969 -33.1849 106.793 -45.9887 37.8538 -46.8144 -66.6736 TIMING: 1988600 CPU: 5938.46, 0.00298865/step Wall: 5938.46, 0.00298865/step, 2.50001 hours remaining, 206.515625 MB of memory in use. ENERGY: 1988600 793.8271 2079.3773 1947.2916 114.8045 -206043.7613 17650.5560 0.0000 0.0000 34389.8742 -149068.0306 300.3353 -183457.9047 -148972.6248 300.1945 -173.1054 -141.0296 556744.1243 -0.2690 -0.0908 PRESSURE: 1988800 -59.717 -155.378 -100.41 -155.377 49.9413 149.743 -100.41 149.744 114.04 GPRESSURE: 1988800 -5.18691 -154.618 -54.7639 -190.995 86.3702 26.0691 -93.7345 202.847 99.8587 PRESSAVG: 1988800 -25.8966 13.3712 15.1348 13.3712 14.5499 -27.2324 15.1348 -27.2325 23.9466 GPRESSAVG: 1988800 -26.7847 12.756 15.3591 16.1462 15.4722 -27.3864 15.3684 -26.7032 24.0578 TIMING: 1988800 CPU: 5939.05, 0.00297426/step Wall: 5939.05, 0.00297426/step, 2.4878 hours remaining, 206.515625 MB of memory in use. ENERGY: 1988800 723.4370 2137.6616 1928.3827 114.9237 -206241.5737 17842.9617 0.0000 0.0000 34334.9371 -149159.2698 299.8555 -183494.2069 -149067.0387 300.0813 34.7546 60.3473 557300.3667 4.2000 4.2484 PRESSURE: 1989000 102.166 -150.223 68.3682 -150.222 -65.0679 -54.983 68.3704 -54.9834 -151.482 GPRESSURE: 1989000 130.736 -147.228 46.6091 -150.452 1.8871 15.4232 102.365 -19.084 -146.586 PRESSAVG: 1989000 14.8788 -84.5673 -46.4188 -84.5672 -30.3067 26.2016 -46.4188 26.2017 33.56 GPRESSAVG: 1989000 14.8308 -82.9844 -46.5445 -86.2099 -31.1634 24.7465 -46.103 27.3074 34.5563 TIMING: 1989000 CPU: 5939.65, 0.00298602/step Wall: 5939.65, 0.00298602/step, 2.49747 hours remaining, 206.515625 MB of memory in use. ENERGY: 1989000 727.9945 2079.6573 1921.0117 103.2044 -205890.8353 17472.4989 0.0000 0.0000 34537.0948 -149049.3738 301.6210 -183586.4686 -148950.1587 300.5810 -38.1281 -4.6542 556574.5711 6.0440 6.0746 PRESSURE: 1989200 -220.788 -39.2207 252.412 -39.2208 -197.448 23.6538 252.413 23.6535 -271.222 GPRESSURE: 1989200 -196.462 68.4859 191.293 -164.083 -162.266 92.0606 311.395 -12.9446 -228.708 PRESSAVG: 1989200 45.1549 -24.8661 -16.0701 -24.8661 38.9424 -35.2269 -16.0701 -35.2269 -98.2081 GPRESSAVG: 1989200 45.1894 -26.6546 -17.0497 -25.6283 38.5676 -34.0982 -15.6674 -36.7118 -98.4559 TIMING: 1989200 CPU: 5940.26, 0.00301786/step Wall: 5940.26, 0.00301786/step, 2.52393 hours remaining, 206.515625 MB of memory in use. ENERGY: 1989200 762.3443 2088.4834 1963.8994 111.4135 -205823.8190 17404.5557 0.0000 0.0000 34319.9963 -149173.1264 299.7251 -183493.1227 -149073.7869 300.0633 -229.8192 -195.8121 557506.0782 -4.7036 -4.8997 PRESSURE: 1989400 -40.3924 33.4853 259.253 33.4859 -148.035 70.2639 259.253 70.2624 -24.1996 GPRESSURE: 1989400 -26.3252 45.6526 335.699 54.9779 -83.3706 80.9444 229.415 35.9141 -11.1298 PRESSAVG: 1989400 -74.7164 5.6342 61.5665 5.63407 58.0009 5.70498 61.5666 5.70488 39.0539 GPRESSAVG: 1989400 -75.3644 5.50127 60.5568 6.89173 58.2793 4.23122 61.9875 6.12176 39.1613 TIMING: 1989400 CPU: 5940.86, 0.00303487/step Wall: 5940.86, 0.00303487/step, 2.538 hours remaining, 206.515625 MB of memory in use. ENERGY: 1989400 781.9260 2133.7046 1940.4502 127.7578 -206240.0342 17562.4978 0.0000 0.0000 34573.5514 -149120.1464 301.9394 -183693.6978 -149017.6517 300.2287 -70.8756 -40.2752 556328.4382 7.4461 7.3588 PRESSURE: 1989600 1.45316 98.9466 87.4444 98.9462 27.301 -142.861 87.4444 -142.861 -34.4749 GPRESSURE: 1989600 42.5532 86.1574 68.6711 28.6101 74.5859 -95.2841 14.3784 -149.173 -25.275 PRESSAVG: 1989600 37.2484 -17.4467 42.6069 -17.4467 -11.6626 23.7325 42.607 23.7325 -10.7146 GPRESSAVG: 1989600 37.9139 -17.0694 44.8037 -18.8403 -12.4971 23.5239 40.918 24.755 -10.92 TIMING: 1989600 CPU: 5941.46, 0.00300347/step Wall: 5941.46, 0.00300347/step, 2.51157 hours remaining, 206.515625 MB of memory in use. ENERGY: 1989600 723.2351 2152.2133 1946.6554 109.0613 -205730.7714 17572.5818 0.0000 0.0000 34208.2464 -149018.7782 298.7491 -183227.0246 -148922.7587 300.0201 -1.9069 30.6214 556907.8514 4.9571 4.8322 PRESSURE: 1989800 124.142 -21.4281 -88.9571 -21.4281 186.605 -125.393 -88.9573 -125.393 -85.9532 GPRESSURE: 1989800 159.507 87.4142 -17.3833 -33.0107 200.813 -122.092 -144.367 -174.066 -50.7671 PRESSAVG: 1989800 -6.74104 -15.4691 -24.5334 -15.4691 4.72416 -20.8903 -24.5334 -20.8904 -36.5676 GPRESSAVG: 1989800 -7.5705 -15.137 -25.9157 -15.0322 5.6049 -18.2924 -21.9778 -23.2085 -36.5441 TIMING: 1989800 CPU: 5942.06, 0.00297429/step Wall: 5942.06, 0.00297429/step, 2.487 hours remaining, 206.515625 MB of memory in use. ENERGY: 1989800 739.6287 2077.9887 1929.2786 112.7035 -206431.0458 18000.1672 0.0000 0.0000 34567.5368 -149003.7422 301.8869 -183571.2790 -148902.5472 300.6147 74.9314 103.1844 557331.2111 -12.8615 -12.8366 PRESSURE: 1990000 227.707 -11.0121 -15.9492 -11.0124 237.649 96.4256 -15.9492 96.4268 298.457 GPRESSURE: 1990000 253.702 -81.852 -104.867 80.3573 274.782 96.9229 -29.7457 11.7694 310.858 PRESSAVG: 1990000 -25.273 71.4619 1.1378 71.4619 23.2859 -42.2204 1.1378 -42.2205 18.8668 GPRESSAVG: 1990000 -24.3214 70.2234 1.28537 71.0542 21.8976 -43.243 -0.279972 -42.5519 19.0679 TIMING: 1990000 CPU: 5942.65, 0.00296746/step Wall: 5942.65, 0.00296746/step, 2.48112 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1990000 757.4059 2084.2660 1898.9886 105.4761 -206679.0798 18338.1714 0.0000 0.0000 34337.8994 -149156.8723 299.8814 -183494.7717 -149055.8422 300.2451 254.6041 279.7808 557812.9325 5.6266 5.5480 PRESSURE: 1990200 -281.058 -234.278 -184.607 -234.277 -118.461 5.90334 -184.607 5.90296 -238.043 GPRESSURE: 1990200 -225.136 -219.794 -225.336 -136.056 -77.233 18.2664 -203.659 -9.43476 -236.646 PRESSAVG: 1990200 14.8483 6.33073 -2.0985 6.33081 10.6827 -0.205224 -2.0984 -0.205258 12.3767 GPRESSAVG: 1990200 14.9388 8.17831 -2.96145 5.77948 11.3069 -0.312214 -0.419704 0.833345 11.5589 TIMING: 1990200 CPU: 5943.24, 0.0029644/step Wall: 5943.24, 0.0029644/step, 2.4784 hours remaining, 206.515625 MB of memory in use. ENERGY: 1990200 739.1725 2113.2915 1922.7820 118.8064 -206047.9791 17533.8304 0.0000 0.0000 34493.6159 -149126.4803 301.2413 -183620.0962 -149023.1767 299.2121 -212.5207 -179.6716 559141.7087 12.6359 12.6015 PRESSURE: 1990400 219.357 55.3124 80.2699 55.311 -106.78 -33.9978 80.2703 -33.9978 -33.3779 GPRESSURE: 1990400 250.624 -36.5179 120.978 17.8234 -143.628 -126.014 59.1409 -84.3228 61.8915 PRESSAVG: 1990400 39.4941 -20.8402 16.9755 -20.8401 -40.1019 -20.5486 16.9755 -20.5487 -11.7609 GPRESSAVG: 1990400 39.0089 -21.5467 17.4225 -19.6892 -39.771 -21.6425 15.4078 -19.7187 -11.4974 TIMING: 1990400 CPU: 5943.84, 0.00296838/step Wall: 5943.84, 0.00296838/step, 2.48157 hours remaining, 206.515625 MB of memory in use. ENERGY: 1990400 743.1808 2078.2345 1948.3031 107.6894 -206072.0220 17832.1421 0.0000 0.0000 34050.7360 -149311.7362 297.3735 -183362.4722 -149216.1222 299.5218 26.3997 56.2958 558909.2650 -4.1229 -4.0865 PRESSURE: 1990600 -274.812 -74.6167 64.4096 -74.616 -229.975 6.89953 64.4095 6.89882 -186.848 GPRESSURE: 1990600 -190.344 -6.64409 115.511 -143.64 -211.88 2.15322 10.0611 59.5953 -202.387 PRESSAVG: 1990600 -38.942 13.298 28.3681 13.2981 29.9772 -27.1596 28.3681 -27.1596 21.7082 GPRESSAVG: 1990600 -38.1431 14.4609 28.9335 11.4048 29.4117 -28.0477 27.8297 -26.6064 21.5543 TIMING: 1990600 CPU: 5944.44, 0.00298423/step Wall: 5944.44, 0.00298423/step, 2.49465 hours remaining, 206.515625 MB of memory in use. ENERGY: 1990600 754.9368 2069.1062 1939.8057 103.8892 -205962.7058 17521.6281 0.0000 0.0000 34176.1046 -149397.2351 298.4684 -183573.3397 -149294.1710 298.1693 -230.5448 -201.5370 558809.6334 4.2478 4.2743 PRESSURE: 1990800 -135.014 -10.6363 -29.241 -10.6361 -121.239 -3.15283 -29.2417 -3.15374 70.6371 GPRESSURE: 1990800 -104.887 1.51605 -54.0891 21.531 -76.535 -5.38355 -53.698 90.0062 86.5824 PRESSAVG: 1990800 -19.8242 -44.4863 -15.2913 -44.4863 -37.6328 -12.6777 -15.2913 -12.6776 27.4224 GPRESSAVG: 1990800 -19.626 -47.3496 -15.4224 -41.8427 -37.8377 -11.0477 -14.4036 -14.2396 27.7612 TIMING: 1990800 CPU: 5945.04, 0.0030008/step Wall: 5945.04, 0.00300079/step, 2.50833 hours remaining, 206.515625 MB of memory in use. ENERGY: 1990800 760.2993 2055.9542 1938.9520 106.1770 -206049.8617 17859.4086 0.0000 0.0000 34063.0911 -149265.9794 297.4814 -183329.0706 -149169.7752 298.5017 -61.8720 -31.6132 558325.9444 -10.0115 -9.9008 PRESSURE: 1991000 -72.6526 -119.642 89.8526 -119.642 -252.111 24.4964 89.852 24.4956 -45.4454 GPRESSURE: 1991000 -2.36523 -68.489 134.696 -56.9971 -190.246 -20.1786 18.8885 24.8918 -78.6696 PRESSAVG: 1991000 -11.1746 -38.8346 15.2684 -38.8346 -19.3355 32.7313 15.2685 32.7313 80.6522 GPRESSAVG: 1991000 -11.4681 -36.7374 15.9496 -41.8821 -18.8993 32.6695 14.8851 32.5072 80.0079 TIMING: 1991000 CPU: 5945.64, 0.00300709/step Wall: 5945.64, 0.00300709/step, 2.51343 hours remaining, 206.515625 MB of memory in use. ENERGY: 1991000 731.3434 2088.4250 1930.0614 111.3466 -205950.6558 17675.9506 0.0000 0.0000 34135.2552 -149278.2736 298.1117 -183413.5288 -149188.9309 298.8921 -123.4029 -90.4269 559035.5990 16.7140 16.5468 PRESSURE: 1991200 37.8288 76.2839 3.20884 76.2843 -69.086 61.5742 3.2093 61.5748 52.4916 GPRESSURE: 1991200 66.1737 -33.2858 -17.7835 209.186 -11.3095 70.9081 10.115 91.7246 65.4455 PRESSAVG: 1991200 -3.44745 44.6349 19.5628 44.6348 -16.6098 40.4932 19.5628 40.4933 48.0655 GPRESSAVG: 1991200 -3.49483 42.6674 21.5418 47.9769 -16.1508 39.4997 17.6298 41.8106 48.5696 TIMING: 1991200 CPU: 5946.23, 0.00297319/step Wall: 5946.23, 0.00297319/step, 2.48493 hours remaining, 206.515625 MB of memory in use. ENERGY: 1991200 734.9622 2096.5683 1919.9019 117.8244 -206317.8195 17812.3001 0.0000 0.0000 34340.7384 -149295.5241 299.9062 -183636.2624 -149197.1075 298.6821 7.0781 40.1032 557866.3627 9.3361 9.6413 PRESSURE: 1991400 -138.775 -87.9122 -91.6015 -87.9124 14.3544 150.254 -91.6021 150.253 -104.274 GPRESSURE: 1991400 -113.004 -57.8067 -43.8521 -78.6204 47.9698 110.782 -98.2761 155.242 -57.2242 PRESSAVG: 1991400 -44.0828 10.7973 -26.7523 10.7974 38.7656 43.1761 -26.7522 43.1761 -20.8318 GPRESSAVG: 1991400 -44.5369 13.0837 -26.8637 8.86486 39.4497 44.6901 -28.5326 44.1576 -21.1349 TIMING: 1991400 CPU: 5946.83, 0.00298152/step Wall: 5946.83, 0.00298152/step, 2.49172 hours remaining, 206.515625 MB of memory in use. ENERGY: 1991400 759.2551 2052.8558 1932.1962 97.5160 -206068.7095 17633.6543 0.0000 0.0000 34152.5530 -149440.6791 298.2627 -183593.2321 -149345.2074 298.9764 -76.2316 -40.7527 558510.3361 -8.7163 -8.7407 PRESSURE: 1991600 -79.3819 55.1416 78.5173 55.1429 -67.967 -91.7135 78.5164 -91.7129 78.0265 GPRESSURE: 1991600 -137.225 97.7355 -52.632 121.173 13.057 -37.3577 126.714 -95.0763 147.977 PRESSAVG: 1991600 -42.3229 -8.84037 -33.9075 -8.84033 7.507 0.54502 -33.9076 0.545001 -24.4493 GPRESSAVG: 1991600 -43.8587 -9.15969 -33.2783 -9.56696 7.75771 -0.024221 -31.7654 -0.385435 -23.8941 TIMING: 1991600 CPU: 5947.43, 0.00299681/step Wall: 5947.43, 0.00299681/step, 2.50433 hours remaining, 206.515625 MB of memory in use. ENERGY: 1991600 724.4242 2073.1731 1954.7342 116.2356 -206397.0442 17843.0165 0.0000 0.0000 34125.0359 -149560.4247 298.0224 -183685.4606 -149461.9369 298.9770 -23.1075 7.9365 557102.7182 -19.7551 -19.9983 PRESSURE: 1991800 99.4174 -70.6665 17.7951 -70.6661 89.4575 47.3704 17.796 47.3708 97.2833 GPRESSURE: 1991800 71.5108 -56.186 14.8741 -129.243 190.956 117.658 11.0185 -3.54088 115.634 PRESSAVG: 1991800 -76.4723 49.5841 23.7095 49.584 32.0525 4.30778 23.7096 4.30781 52.622 GPRESSAVG: 1991800 -75.9138 49.153 22.7399 50.033 32.2527 4.37284 24.0886 1.97294 51.833 TIMING: 1991800 CPU: 5948.03, 0.00299294/step Wall: 5948.03, 0.00299294/step, 2.50093 hours remaining, 206.515625 MB of memory in use. ENERGY: 1991800 745.7246 2082.9234 1965.5278 114.9195 -206490.3827 17892.8812 0.0000 0.0000 33987.7583 -149700.6478 296.8235 -183688.4061 -149603.7429 297.9999 95.3861 126.0336 556092.5990 2.7341 2.7240 PRESSURE: 1992000 -200.216 50.5265 -36.4154 50.5269 52.2967 98.6761 -36.4146 98.6775 342.312 GPRESSURE: 1992000 -141.015 -2.55103 -94.4817 20.5796 123.233 97.551 38.5037 86.8791 295.608 PRESSAVG: 1992000 -27.6582 -26.9942 -5.72544 -26.9941 -33.412 -23.3253 -5.72549 -23.3252 4.38209 GPRESSAVG: 1992000 -27.1171 -27.4955 -7.01831 -26.7953 -35.4728 -24.0833 -3.15858 -20.1531 5.5818 TIMING: 1992000 CPU: 5948.62, 0.0029804/step Wall: 5948.62, 0.0029804/step, 2.49029 hours remaining, 206.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1992000 714.9705 2084.9857 1954.3613 111.5688 -206500.3932 17846.2264 0.0000 0.0000 34338.4726 -149449.8079 299.8864 -183788.2805 -149357.7775 298.7168 64.7976 92.6086 556814.9314 -18.8960 -19.0027 PRESSURE: 1992200 140.461 -46.2842 125.478 -46.2833 -134.4 -196.659 125.477 -196.658 -142.924 GPRESSURE: 1992200 182.596 4.26244 105.632 -40.2657 -42.6208 -284.697 184.82 -248.56 -180.759 PRESSAVG: 1992200 -18.4235 -27.5748 4.83757 -27.5748 -34.1611 14.1509 4.83761 14.151 24.6229 GPRESSAVG: 1992200 -17.5286 -26.4264 7.6853 -26.6837 -33.0259 13.2231 3.16738 13.7583 23.0126 TIMING: 1992200 CPU: 5949.21, 0.00296557/step Wall: 5949.21, 0.00296557/step, 2.47773 hours remaining, 206.515625 MB of memory in use. ENERGY: 1992200 740.3414 2027.6695 1926.2764 118.2121 -206507.6296 17728.6580 0.0000 0.0000 34445.4022 -149521.0699 300.8203 -183966.4722 -149427.2649 298.6720 -45.6208 -13.5946 556761.5263 -9.3205 -9.1806 LDB: ============= START OF LOAD BALANCING ============== 5952.76 LDB: ============== END OF LOAD BALANCING =============== 5952.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5952.76 LDB: ============= START OF LOAD BALANCING ============== 5953.06 LDB: Largest compute 4773 load 0.032032 is 27.1% of average load 0.118135 LDB: Average compute 0.001739 is 1.5% of average load 0.118135 LDB: TIME 5953.06 LOAD: AVG 0.118135 MAX 0.198396 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 5953.06 LOAD: AVG 0.118135 MAX 0.198396 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 5953.06 LOAD: AVG 0.118135 MAX 0.198396 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: ============== END OF LOAD BALANCING =============== 5953.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5953.07 PRESSURE: 1992400 -34.0703 1.07714 -176.447 1.07918 -43.3911 32.1966 -176.448 32.1957 116.22 GPRESSURE: 1992400 23.498 23.6752 -145.367 -73.5748 -12.7447 134.171 -172.078 -34.1842 125.949 PRESSAVG: 1992400 -17.112 -29.2803 -13.4232 -29.2803 28.1193 -11.5389 -13.4232 -11.5389 -11.8897 GPRESSAVG: 1992400 -18.4963 -29.8354 -15.3464 -28.8866 28.5388 -12.2617 -13.7383 -12.6668 -10.4241 TIMING: 1992400 CPU: 5949.82, 0.00301941/step Wall: 5949.82, 0.00301941/step, 2.52255 hours remaining, 206.648438 MB of memory in use. ENERGY: 1992400 706.3379 2083.4392 1959.4851 112.9409 -206432.9622 17874.9630 0.0000 0.0000 34396.1534 -149299.6428 300.3902 -183695.7961 -149203.3782 299.0809 12.9196 45.5673 557154.5287 -0.2941 -0.1272 PRESSURE: 1992600 -84.7818 68.0406 -132.34 68.0401 -6.41222 -99.9727 -132.34 -99.9747 -122.38 GPRESSURE: 1992600 -24.3171 30.3775 -131.358 60.2651 11.8806 -39.8909 -97.0569 -142.963 -109.581 PRESSAVG: 1992600 -9.82989 -6.79313 -50.918 -6.79317 -13.3277 -25.6718 -50.918 -25.6718 64.216 GPRESSAVG: 1992600 -9.88818 -3.96531 -51.2663 -10.0112 -13.8624 -24.3287 -50.1351 -26.5173 64.7253 TIMING: 1992600 CPU: 5950.41, 0.00296585/step Wall: 5950.41, 0.00296585/step, 2.47764 hours remaining, 206.648438 MB of memory in use. ENERGY: 1992600 728.7682 2062.6131 1946.5384 105.7907 -206404.9082 17922.3405 0.0000 0.0000 34245.7336 -149393.1237 299.0765 -183638.8573 -149302.3474 298.2054 -71.1914 -40.6726 558383.8601 13.6861 13.6583 PRESSURE: 1992800 90.4878 -50.5141 -50.3689 -50.5144 18.2185 17.6373 -50.369 17.6382 -21.7904 GPRESSURE: 1992800 76.2798 -80.2833 -42.3749 -142.5 52.8951 45.2124 -102.972 -2.06292 53.5177 PRESSAVG: 1992800 52.7517 -23.9944 21.3042 -23.9944 -5.17232 6.52425 21.3042 6.52428 -6.01799 GPRESSAVG: 1992800 53.3149 -26.4158 22.6792 -22.0122 -5.77081 5.34095 21.667 8.7039 -6.3695 TIMING: 1992800 CPU: 5951.01, 0.00296746/step Wall: 5951.01, 0.00296746/step, 2.47882 hours remaining, 206.648438 MB of memory in use. ENERGY: 1992800 719.0862 2094.0933 1927.6462 107.6975 -206252.0453 17845.0263 0.0000 0.0000 34099.4596 -149459.0363 297.7991 -183558.4959 -149362.9631 298.2913 28.9719 60.8975 557665.9702 13.8538 13.7249 PRESSURE: 1993000 214.184 169.98 36.3262 169.98 -68.5857 97.9651 36.3267 97.9673 161.578 GPRESSURE: 1993000 225.909 100.034 -47.1181 164.986 -11.2013 85.9942 90.8749 121.376 190.186 PRESSAVG: 1993000 -43.3438 22.6425 -11.7562 22.6424 19.6931 9.8082 -11.7562 9.80824 54.3261 GPRESSAVG: 1993000 -44.257 22.4336 -14.6437 22.9866 21.29 10.8331 -10.6713 8.99105 53.7667 TIMING: 1993000 CPU: 5951.6, 0.00298299/step Wall: 5951.6, 0.00298299/step, 2.49162 hours remaining, 206.648438 MB of memory in use. ENERGY: 1993000 727.8808 2027.1729 1912.8829 108.5265 -206679.3530 18080.5979 0.0000 0.0000 34349.7784 -149472.5136 299.9852 -183822.2919 -149376.1842 298.5317 102.3920 134.9648 556243.7177 10.2252 10.2666 PRESSURE: 1993200 -84.0964 -18.9505 123.591 -18.9508 -175.202 -143.262 123.591 -143.264 -184.027 GPRESSURE: 1993200 -48.5339 -32.5583 4.0881 -10.2729 -148.06 -68.1007 50.568 -179.868 -158.38 PRESSAVG: 1993200 2.01237 32.845 47.1629 32.8449 13.0277 -27.6938 47.1629 -27.6937 -20.4353 GPRESSAVG: 1993200 1.84278 34.8889 51.1879 34.5073 12.7954 -27.3623 44.2358 -29.5851 -19.7768 TIMING: 1993200 CPU: 5952.2, 0.00297159/step Wall: 5952.2, 0.00297159/step, 2.48194 hours remaining, 206.648438 MB of memory in use. ENERGY: 1993200 761.2274 2059.7212 1917.0195 107.8002 -206405.0280 17856.5050 0.0000 0.0000 34295.6363 -149407.1185 299.5123 -183702.7548 -149302.5797 298.7000 -147.7752 -118.3244 558515.5451 -1.7984 -1.7129 PRESSURE: 1993400 34.8815 139.855 -123.776 139.856 -48.1742 39.1055 -123.777 39.1065 -152.178 GPRESSURE: 1993400 68.7881 219.879 -70.7304 114.569 -63.0685 158.638 -155.072 14.3098 -71.9271 PRESSAVG: 1993400 8.38128 -20.3162 -16.2713 -20.3161 -43.901 -5.3366 -16.2714 -5.33667 -8.94809 GPRESSAVG: 1993400 9.03836 -19.9579 -18.163 -23.4399 -43.9368 -6.81622 -15.5065 -3.50064 -9.49533 TIMING: 1993400 CPU: 5952.79, 0.00294902/step Wall: 5952.79, 0.00294902/step, 2.46292 hours remaining, 206.648438 MB of memory in use. ENERGY: 1993400 739.3145 2096.2415 1938.1550 116.5183 -206093.9313 17739.2730 0.0000 0.0000 34172.1554 -149292.2735 298.4339 -183464.4290 -149201.0048 298.6321 -55.1570 -22.0692 557072.9836 -14.8226 -14.7979 PRESSURE: 1993600 -125.362 -14.8192 -87.4701 -14.8205 -63.5295 75.9851 -87.468 75.9878 -210.804 GPRESSURE: 1993600 -145.061 -60.6547 -74.726 26.0337 41.2944 122.973 -10.5065 30.6604 -199.074 PRESSAVG: 1993600 54.0877 24.0425 0.988639 24.0426 -36.4818 -23.0003 0.988681 -23.0003 20.2991 GPRESSAVG: 1993600 54.4908 21.0882 0.734515 26.4944 -37.219 -21.3595 2.46271 -24.9491 20.7519 TIMING: 1993600 CPU: 5953.38, 0.00295637/step Wall: 5953.38, 0.00295637/step, 2.4689 hours remaining, 206.648438 MB of memory in use. ENERGY: 1993600 765.7982 2072.3158 1922.4005 103.6766 -206004.1050 17589.5683 0.0000 0.0000 34260.7960 -149289.5495 299.2081 -183550.3456 -149188.0942 299.6298 -133.2319 -100.9468 557774.8894 12.6350 12.6746 PRESSURE: 1993800 96.4307 -75.0658 76.0343 -75.0663 237.447 16.366 76.0353 16.3663 234.931 GPRESSURE: 1993800 135.425 -119.93 44.9208 -52.9908 255.493 71.3189 65.8197 1.73351 270.301 PRESSAVG: 1993800 53.9521 -19.9671 13.1757 -19.967 -13.5655 63.0912 13.1757 63.0912 14.2464 GPRESSAVG: 1993800 53.935 -19.0146 15.0701 -20.6338 -13.1723 61.6909 12.2234 64.0283 14.3198 TIMING: 1993800 CPU: 5953.97, 0.00295816/step Wall: 5953.97, 0.00295816/step, 2.47023 hours remaining, 206.648438 MB of memory in use. ENERGY: 1993800 707.1608 2090.2579 1947.8931 131.6452 -205991.1101 17754.5648 0.0000 0.0000 34163.7011 -149195.8871 298.3601 -183359.5883 -149100.4779 299.3912 189.6030 220.4062 557852.9312 18.2110 18.3608 PRESSURE: 1994000 107.67 85.9344 9.92658 85.935 53.6466 75.4005 9.92592 75.4005 -30.2516 GPRESSURE: 1994000 183.934 76.2001 10.2608 38.9683 71.367 87.9209 -72.9236 63.6302 -20.031 PRESSAVG: 1994000 -7.70684 -1.70242 0.0295486 -1.70245 33.9404 77.5089 0.029606 77.509 -22.4726 GPRESSAVG: 1994000 -8.01199 -1.75674 -2.21827 -0.759896 34.5523 76.7037 -0.262049 78.8237 -22.6805 TIMING: 1994000 CPU: 5954.56, 0.00297066/step Wall: 5954.56, 0.00297066/step, 2.4805 hours remaining, 206.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1994000 735.0508 2116.9389 1924.5602 108.3350 -206117.1685 17897.9414 0.0000 0.0000 34168.9917 -149165.3505 298.4063 -183334.3422 -149077.9394 299.4309 43.6884 78.4232 559100.1136 1.2537 1.2866 PRESSURE: 1994200 -257.056 258 -86.9588 258 -137.54 48.4278 -86.9602 48.428 -133.403 GPRESSURE: 1994200 -251.206 226.895 -132.735 230.256 -63.1742 97.1597 -41.6325 -22.4936 -110.452 PRESSAVG: 1994200 17.6657 40.9597 10.847 40.9596 -3.63525 2.53884 10.847 2.53884 -61.5842 GPRESSAVG: 1994200 19.0273 39.7803 11.7776 40.9396 -4.12706 3.43836 9.55109 1.19273 -61.9067 TIMING: 1994200 CPU: 5955.16, 0.0029828/step Wall: 5955.16, 0.0029828/step, 2.49048 hours remaining, 206.648438 MB of memory in use. ENERGY: 1994200 744.4193 2078.1738 1898.0131 108.6243 -206201.6363 17703.6812 0.0000 0.0000 34306.8795 -149361.8449 299.6105 -183668.7244 -149256.1200 299.1971 -175.9996 -141.6105 558724.1114 -15.8512 -15.6688 PRESSURE: 1994400 -290.703 196.148 -60.0825 196.148 -44.0873 119.221 -60.0817 119.222 -91.6746 GPRESSURE: 1994400 -199.968 206.992 -72.8157 158.346 -50.3384 91.329 -35.8049 143.855 -83.1568 PRESSAVG: 1994400 14.4277 40.291 31.3538 40.2909 -21.0227 -32.1052 31.3539 -32.1052 -25.3529 GPRESSAVG: 1994400 13.5498 42.529 30.0662 41.6732 -22.1785 -30.0799 32.8296 -29.8619 -23.5992 TIMING: 1994400 CPU: 5955.75, 0.00296521/step Wall: 5955.75, 0.00296521/step, 2.47562 hours remaining, 206.648438 MB of memory in use. ENERGY: 1994400 749.0018 2042.7352 1951.6720 110.4815 -205917.0673 17616.6965 0.0000 0.0000 34227.1902 -149219.2899 298.9146 -183446.4801 -149122.0792 298.5913 -142.1551 -111.1544 558341.6058 -10.6493 -10.7427 PRESSURE: 1994600 -43.0426 33.5019 -18.7691 33.5004 -128.685 162.242 -18.7687 162.242 -323.038 GPRESSURE: 1994600 20.4213 53.627 -57.8653 40.6926 -112.522 239.25 29.6853 173.895 -301.394 PRESSAVG: 1994600 -27.9192 14.4795 8.00881 14.4795 -12.4671 18.1589 8.00887 18.1589 28.7385 GPRESSAVG: 1994600 -27.7695 13.1446 8.72543 12.4588 -10.758 15.7684 7.67296 19.0677 26.5128 TIMING: 1994600 CPU: 5956.35, 0.00296954/step Wall: 5956.35, 0.00296954/step, 2.47907 hours remaining, 206.648438 MB of memory in use. ENERGY: 1994600 744.0037 2049.9600 1926.7212 115.3527 -205956.1741 17629.4769 0.0000 0.0000 34300.4201 -149190.2394 299.5541 -183490.6595 -149093.3175 299.3739 -164.9217 -131.1650 557351.4370 -3.8826 -4.0049 PRESSURE: 1994800 34.2742 288.451 69.9669 288.451 -111.044 120.896 69.968 120.896 193.064 GPRESSURE: 1994800 63.9071 321.661 87.1739 239.993 -60.9013 85.3533 13.9176 139.305 210.705 PRESSAVG: 1994800 -36.643 -8.46117 -2.1965 -8.46114 15.8607 22.013 -2.19655 22.013 10.5099 GPRESSAVG: 1994800 -37.576 -6.39683 -2.01127 -9.08832 15.1416 23.3713 -3.86718 20.6122 12.2997 TIMING: 1994800 CPU: 5956.94, 0.00295049/step Wall: 5956.94, 0.00295049/step, 2.46301 hours remaining, 206.648438 MB of memory in use. ENERGY: 1994800 717.9059 2150.3545 1951.6904 105.4066 -206181.3202 17802.8768 0.0000 0.0000 34242.3880 -149210.6980 299.0473 -183453.0860 -149109.1317 299.5087 38.7647 71.2369 556766.6154 -3.4242 -3.3782 PRESSURE: 1995000 27.342 -53.2754 -171.32 -53.2747 280.977 -75.6212 -171.32 -75.6211 350.425 GPRESSURE: 1995000 54.7547 -54.4886 -166.685 -93.4161 291.802 -136.515 -76.4123 -51.2627 410.599 PRESSAVG: 1995000 -21.3557 -8.13736 -16.1964 -8.13737 51.0237 -22.8319 -16.1963 -22.8318 5.95934 GPRESSAVG: 1995000 -20.6531 -8.42555 -17.445 -8.50476 49.762 -21.8554 -13.5501 -25.3693 5.75717 TIMING: 1995000 CPU: 5957.52, 0.00293964/step Wall: 5957.52, 0.00293964/step, 2.45379 hours remaining, 206.714844 MB of memory in use. ENERGY: 1995000 752.0430 2114.4083 1932.9935 106.5883 -206221.5651 18022.6120 0.0000 0.0000 34324.6272 -148968.2927 299.7655 -183292.9198 -148879.2574 300.0955 219.5813 252.3852 556615.6597 11.8758 11.6220 PRESSURE: 1995200 -152.801 81.2285 249.731 81.2279 -144.943 -146.875 249.733 -146.875 -39.0958 GPRESSURE: 1995200 -113.502 -63.4922 277.828 105.693 -73.5164 -116.535 209.867 -187.379 -52.0184 PRESSAVG: 1995200 20.5766 20.9426 1.45148 20.9424 -39.1161 6.51923 1.45144 6.51944 25.7534 GPRESSAVG: 1995200 21.1322 17.3336 2.55784 22.1945 -39.7384 6.01936 -0.678327 5.68799 25.2689 TIMING: 1995200 CPU: 5958.12, 0.00296629/step Wall: 5958.12, 0.00296629/step, 2.47587 hours remaining, 206.714844 MB of memory in use. ENERGY: 1995200 732.4395 2140.9587 1942.4061 115.5266 -205994.7098 17547.2971 0.0000 0.0000 34535.1408 -148980.9408 301.6040 -183516.0816 -148889.2553 300.9556 -112.2799 -79.6788 555264.4900 2.4047 2.2209 PRESSURE: 1995400 177.342 -35.8956 -48.6588 -35.897 -158.696 69.1438 -48.6589 69.1434 -174.892 GPRESSURE: 1995400 187.58 34.4445 -58.9981 -39.4618 -119.729 51.201 -26.4696 160.977 -123.26 PRESSAVG: 1995400 6.79466 -10.8321 26.6215 -10.8322 -58.9477 -45.0811 26.6215 -45.0812 26.1317 GPRESSAVG: 1995400 5.50154 -7.76164 25.0731 -10.8146 -57.8848 -46.4985 28.7944 -42.714 26.4525 TIMING: 1995400 CPU: 5958.71, 0.00296869/step Wall: 5958.71, 0.00296869/step, 2.4777 hours remaining, 206.714844 MB of memory in use. ENERGY: 1995400 737.4599 2120.4886 1922.8583 110.1797 -205960.7309 17925.2799 0.0000 0.0000 34274.8569 -148869.6075 299.3309 -183144.4644 -148775.3461 300.3518 -52.0819 -18.4697 559522.8172 -8.6738 -8.6436 PRESSURE: 1995600 -97.7427 25.0786 124.198 25.0781 -46.5409 -15.5988 124.199 -15.5975 -331.73 GPRESSURE: 1995600 -49.3867 -6.95309 126.777 25.4092 -73.0794 -31.8251 125.638 74.5488 -255.558 PRESSAVG: 1995600 11.9213 33.9841 -32.3891 33.9841 -10.7098 -5.44107 -32.3892 -5.44107 18.1485 GPRESSAVG: 1995600 13.1016 33.2992 -30.4569 33.8299 -10.9594 -4.13092 -33.5677 -6.11502 17.2995 TIMING: 1995600 CPU: 5959.31, 0.00298742/step Wall: 5959.31, 0.00298742/step, 2.49317 hours remaining, 206.714844 MB of memory in use. ENERGY: 1995600 772.7046 2031.2844 1939.7468 100.2479 -206058.6413 17734.1863 0.0000 0.0000 34457.6739 -149022.7973 300.9274 -183480.4712 -148928.9259 300.4761 -158.6711 -126.0080 559159.5007 6.4533 6.4806 PRESSURE: 1995800 167.832 81.009 -115.834 81.0078 162.951 -132.081 -115.834 -132.08 77.8454 GPRESSURE: 1995800 244.013 120.384 -118.958 75.675 135.934 -142.356 -90.1971 -136.906 135.61 PRESSAVG: 1995800 -31.9228 59.5805 -32.5328 59.5805 60.0873 -82.8336 -32.5328 -82.8337 -30.479 GPRESSAVG: 1995800 -32.3139 60.6397 -31.3353 59.7865 59.5077 -83.046 -33.6243 -82.0218 -29.9539 TIMING: 1995800 CPU: 5959.91, 0.00299511/step Wall: 5959.91, 0.00299511/step, 2.49942 hours remaining, 206.714844 MB of memory in use. ENERGY: 1995800 729.0969 2075.1822 1930.9471 104.9273 -206340.0158 18049.4729 0.0000 0.0000 34397.8838 -149052.5057 300.4053 -183450.3895 -148953.9077 299.9080 136.2094 171.8524 557146.5980 -0.7715 -0.9201 PRESSURE: 1996000 63.6768 -42.4477 -38.9683 -42.4484 32.1297 -189.556 -38.9685 -189.556 -115.481 GPRESSURE: 1996000 63.2544 -65.18 -31.9578 2.59234 54.3969 -87.969 -30.2576 -221.788 -33.1024 PRESSAVG: 1996000 66.9801 25.4138 -54.873 25.4139 11.8198 -23.107 -54.8728 -23.107 -18.311 GPRESSAVG: 1996000 65.6846 25.2005 -53.3292 25.1614 12.7217 -22.7906 -56.4655 -24.1747 -17.4468 TIMING: 1996000 CPU: 5960.51, 0.00299819/step Wall: 5960.51, 0.00299819/step, 2.50182 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1996000 728.1059 2041.1376 1917.8120 110.1866 -205815.1951 17743.3371 0.0000 0.0000 34263.3596 -149011.2565 299.2304 -183274.6160 -148911.0832 299.6007 -6.5583 28.1830 557919.5338 20.1630 20.3198 PRESSURE: 1996200 -143.569 70.9471 -92.8561 70.9467 59.3046 -92.5465 -92.8561 -92.5459 -197.958 GPRESSURE: 1996200 -118.5 61.0365 -70.1772 61.9119 52.6895 -78.2228 -18.455 -105.594 -119.678 PRESSAVG: 1996200 -79.9321 14.6839 -6.85525 14.6841 -6.2851 12.0497 -6.85541 12.0498 72.3856 GPRESSAVG: 1996200 -79.7484 13.9445 -7.87565 15.671 -5.78575 13.8126 -5.80468 9.67493 71.3141 TIMING: 1996200 CPU: 5961.1, 0.00298153/step Wall: 5961.1, 0.00298153/step, 2.48776 hours remaining, 206.714844 MB of memory in use. ENERGY: 1996200 733.2723 2058.1592 1931.4817 95.0400 -205895.3568 17689.3229 0.0000 0.0000 34235.1996 -149152.8810 298.9845 -183388.0807 -149063.8105 299.3118 -94.0742 -61.8296 557925.8699 -4.6105 -4.7400 LDB: ============= START OF LOAD BALANCING ============== 5964.65 LDB: ============== END OF LOAD BALANCING =============== 5964.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5964.66 LDB: ============= START OF LOAD BALANCING ============== 5964.96 LDB: Largest compute 4773 load 0.030469 is 25.8% of average load 0.118155 LDB: Average compute 0.001737 is 1.5% of average load 0.118155 LDB: TIME 5964.96 LOAD: AVG 0.118155 MAX 0.20194 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.203 MB LDB: TIME 5964.96 LOAD: AVG 0.118155 MAX 0.20194 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.207 MB LDB: TIME 5964.96 LOAD: AVG 0.118155 MAX 0.20194 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.207 MB LDB: ============== END OF LOAD BALANCING =============== 5964.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5964.97 PRESSURE: 1996400 -68.1753 -21.6284 -152.072 -21.6272 -69.7839 178.402 -152.073 178.402 -165.494 GPRESSURE: 1996400 23.2959 -36.1839 -238.718 19.5737 -65.4642 156.502 -70.3302 114.584 -165.695 PRESSAVG: 1996400 -8.86491 -33.5028 6.12646 -33.5027 -65.3185 37.9582 6.12646 37.9583 37.4811 GPRESSAVG: 1996400 -9.05286 -33.0036 4.77173 -33.4901 -66.0153 36.7893 5.35729 40.1732 38.7018 TIMING: 1996400 CPU: 5961.72, 0.0030573/step Wall: 5961.72, 0.0030573/step, 2.55081 hours remaining, 207.226562 MB of memory in use. ENERGY: 1996400 719.7197 2095.9212 1916.5461 106.4715 -206265.2652 17712.7027 0.0000 0.0000 34606.2834 -149107.6207 302.2253 -183713.9041 -149017.5610 299.1299 -101.1509 -69.2878 558056.8245 -12.2341 -12.1221 PRESSURE: 1996600 145.71 -107.982 -59.3181 -107.982 -124.566 190.798 -59.3172 190.798 18.0696 GPRESSURE: 1996600 133.975 -120.561 -15.6781 -114.351 -68.5068 275.039 -184.832 168.324 65.0813 PRESSAVG: 1996600 39.2047 2.54379 -0.989544 2.54377 4.2084 22.96 -0.989604 22.96 -24.5752 GPRESSAVG: 1996600 39.8623 2.2625 0.921174 0.280276 4.08665 23.2466 -0.162675 25.3836 -25.5514 TIMING: 1996600 CPU: 5962.31, 0.00299106/step Wall: 5962.31, 0.00299106/step, 2.49538 hours remaining, 207.425781 MB of memory in use. ENERGY: 1996600 714.3804 2100.7021 1911.8207 110.5127 -206059.4418 17730.6754 0.0000 0.0000 34353.4181 -149137.9324 300.0169 -183491.3505 -149048.8481 300.0964 13.0712 43.5165 558423.2007 6.2793 6.1325 PRESSURE: 1996800 213.457 -249.032 -126.942 -249.032 57.8286 -102.61 -126.943 -102.61 273.806 GPRESSURE: 1996800 250.027 -236.999 -16.8994 -317.42 102.785 -131.13 -148.05 -177.191 287.949 PRESSAVG: 1996800 39.259 -18.6293 5.93995 -18.6293 8.38382 4.02047 5.93997 4.02052 12.5419 GPRESSAVG: 1996800 39.5361 -19.1523 5.07932 -18.6832 8.19594 1.78828 6.43112 2.79559 12.5268 TIMING: 1996800 CPU: 5962.91, 0.00299145/step Wall: 5962.91, 0.00299145/step, 2.49554 hours remaining, 207.425781 MB of memory in use. ENERGY: 1996800 715.2540 2040.5870 1949.0980 122.5462 -206188.4519 17937.7951 0.0000 0.0000 34444.9852 -148978.1867 300.8166 -183423.1718 -148875.5333 299.2304 181.6974 213.5873 556893.3803 20.0616 20.0863 PRESSURE: 1997000 196.381 7.13645 -16.5623 7.13562 93.6777 61.0493 -16.5613 61.0504 -18.84 GPRESSURE: 1997000 201.202 140.641 -120.609 -77.3965 196.004 50.5909 -19.4761 93.3308 -37.1982 PRESSAVG: 1997000 41.1664 -4.06241 54.9683 -4.06235 8.70325 5.20334 54.9683 5.20339 -39.053 GPRESSAVG: 1997000 40.6319 -3.18878 54.9097 -3.22655 9.78852 5.762 55.6778 5.72051 -39.2662 TIMING: 1997000 CPU: 5963.51, 0.00299073/step Wall: 5963.51, 0.00299072/step, 2.49476 hours remaining, 207.425781 MB of memory in use. ENERGY: 1997000 733.6502 2066.0609 1935.2074 109.3815 -206031.5003 17823.4585 0.0000 0.0000 34286.1526 -149077.5893 299.4295 -183363.7418 -148979.6852 299.4777 90.4063 120.0025 557658.8701 3.6056 3.7181 PRESSURE: 1997200 -43.8464 -1.1511 29.353 -1.15091 74.1991 8.12629 29.3517 8.12643 -75.4194 GPRESSURE: 1997200 -5.37078 15.6312 -33.679 -14.6284 108.941 67.2252 32.1891 -54.0545 -50.9181 PRESSAVG: 1997200 55.3173 -7.08905 28.5648 -7.08917 -55.6236 -25.8378 28.5648 -25.8379 14.791 GPRESSAVG: 1997200 56.9084 -7.50244 26.9727 -5.62079 -56.959 -24.2759 27.3821 -27.2548 14.4125 TIMING: 1997200 CPU: 5964.11, 0.00298601/step Wall: 5964.11, 0.00298601/step, 2.49067 hours remaining, 207.425781 MB of memory in use. ENERGY: 1997200 718.5206 2058.1291 1925.5535 104.3547 -205612.5064 17432.0291 0.0000 0.0000 34420.6480 -148953.2716 300.6041 -183373.9196 -148848.0503 299.5499 -15.0222 17.5505 557567.2566 4.8282 4.7873 PRESSURE: 1997400 81.0475 112.665 58.0819 112.665 -123.37 -29.2203 58.0818 -29.2203 -172.433 GPRESSURE: 1997400 67.9477 147.353 55.6821 85.8947 -119.693 -76.738 72.3641 -28.7166 -71.8992 PRESSAVG: 1997400 45.5924 43.7662 6.84117 43.7663 -27.8848 8.55789 6.84111 8.55781 14.3183 GPRESSAVG: 1997400 45.5754 45.1847 7.78646 42.7205 -28.2702 7.50885 6.23278 10.5622 14.1425 TIMING: 1997400 CPU: 5964.7, 0.00298631/step Wall: 5964.7, 0.00298631/step, 2.49075 hours remaining, 207.425781 MB of memory in use. ENERGY: 1997400 778.7146 2082.3636 1904.5203 124.1844 -206080.7673 17867.1040 0.0000 0.0000 34382.1965 -148941.6839 300.2683 -183323.8804 -148851.0266 300.1916 -71.5852 -41.2149 558912.3707 10.6753 10.4826 PRESSURE: 1997600 138.03 -148.643 -79.9638 -148.645 82.2362 -149.928 -79.9645 -149.928 -101.982 GPRESSURE: 1997600 88.6357 -211.889 -76.846 -148.759 130.17 -151.393 -39.1644 -112.402 9.22701 PRESSAVG: 1997600 71.7823 8.19556 30.9901 8.19557 -24.7267 5.81798 30.9901 5.81785 -46.9878 GPRESSAVG: 1997600 69.3799 6.31033 30.7779 6.81202 -23.3962 6.74133 31.7753 4.95859 -45.9889 TIMING: 1997600 CPU: 5965.3, 0.00299962/step Wall: 5965.3, 0.00299962/step, 2.50168 hours remaining, 207.425781 MB of memory in use. ENERGY: 1997600 754.8038 2068.4325 1920.9831 115.0151 -206063.5145 17989.1374 0.0000 0.0000 34359.7345 -148855.4080 300.0721 -183215.1425 -148756.5951 299.9292 39.4283 76.0110 558891.8162 0.0226 -0.0017 PRESSURE: 1997800 259.565 -70.9888 -125.117 -70.989 21.0672 4.39302 -125.118 4.39247 58.6035 GPRESSURE: 1997800 327.049 -35.5295 -150.824 -164.995 71.6907 4.69798 -69.8766 -19.0345 34.599 PRESSAVG: 1997800 91.6329 17.9076 31.8586 17.9076 -1.22345 10.3035 31.8587 10.3035 -87.089 GPRESSAVG: 1997800 92.6464 20.8376 32.1957 18.0788 -1.82578 9.39305 32.7481 11.4043 -87.5059 TIMING: 1997800 CPU: 5965.9, 0.00299389/step Wall: 5965.9, 0.00299389/step, 2.49673 hours remaining, 207.425781 MB of memory in use. ENERGY: 1997800 749.0281 2125.4165 1924.3829 129.3755 -206111.6614 17955.2499 0.0000 0.0000 34038.9761 -149189.2325 297.2708 -183228.2086 -149095.5716 299.5253 113.0786 144.4463 558336.1490 1.1068 1.1049 PRESSURE: 1998000 104.948 248.155 66.7833 248.156 43.2091 -80.7591 66.783 -80.76 108.779 GPRESSURE: 1998000 163.898 261.24 46.9238 301.963 25.3096 -98.1197 55.9313 -139.982 180.657 PRESSAVG: 1998000 3.66263 -34.3106 15.1486 -34.3105 -18.4517 -71.4651 15.1487 -71.4651 -10.4502 GPRESSAVG: 1998000 2.77884 -36.5988 14.4772 -33.4992 -17.4959 -73.2925 12.6452 -71.2638 -10.3365 TIMING: 1998000 CPU: 5966.5, 0.00296387/step Wall: 5966.5, 0.00296387/step, 2.47154 hours remaining, 207.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1998000 729.6973 2070.1383 1913.8922 113.9236 -206404.3585 17996.8765 0.0000 0.0000 34325.4956 -149254.3350 299.7731 -183579.8306 -149159.4305 299.1022 85.6452 123.2884 557665.6104 -8.4131 -8.3512 PRESSURE: 1998200 -200.309 -103.056 -53.425 -103.055 38.9649 -46.9316 -53.425 -46.931 228.024 GPRESSURE: 1998200 -201.617 -79.0165 -136.581 -69.6722 85.2703 -96.5718 15.9326 -128.232 290.12 PRESSAVG: 1998200 -26.4813 8.24694 -37.755 8.24703 72.2545 -56.3894 -37.755 -56.3895 -27.3616 GPRESSAVG: 1998200 -25.9343 7.53224 -36.629 9.4662 71.4115 -52.9062 -35.7958 -61.2645 -26.8905 TIMING: 1998200 CPU: 5967.09, 0.00298905/step Wall: 5967.09, 0.00298905/step, 2.49237 hours remaining, 207.425781 MB of memory in use. ENERGY: 1998200 733.5707 2066.2892 1922.6083 110.4318 -206375.2662 17885.0809 0.0000 0.0000 34474.9246 -149182.3607 301.0781 -183657.2853 -149087.5773 299.6202 22.2266 57.9244 557603.1266 6.1372 6.1956 PRESSURE: 1998400 103.226 99.6466 -80.5976 99.6471 114.353 -96.5249 -80.5958 -96.524 45.4395 GPRESSURE: 1998400 127.432 68.3437 -58.5398 117.922 171.394 -129.647 49.4807 -29.6779 63.6566 PRESSAVG: 1998400 0.902646 24.6942 -26.6898 24.6942 30.9339 -67.1856 -26.6898 -67.1856 9.7438 GPRESSAVG: 1998400 0.945492 24.6647 -28.6501 22.2395 30.1796 -69.4194 -25.9214 -63.4334 10.2055 TIMING: 1998400 CPU: 5967.69, 0.00299799/step Wall: 5967.69, 0.00299799/step, 2.49965 hours remaining, 207.425781 MB of memory in use. ENERGY: 1998400 717.8673 2105.2527 1891.8887 108.5380 -206211.5634 18013.7976 0.0000 0.0000 34380.7702 -148993.4489 300.2558 -183374.2191 -148895.5935 299.7751 87.6728 120.8275 558173.8725 13.8601 13.7769 PRESSURE: 1998600 25.7893 -8.03419 32.7142 -8.03282 -148.469 156.177 32.7133 156.179 15.4675 GPRESSURE: 1998600 46.8161 -37.8912 -42.8227 -13.4131 -127.32 54.9117 87.8572 177.034 75.4122 PRESSAVG: 1998600 11.582 28.6144 -2.76126 28.6145 50.8804 -40.309 -2.76124 -40.309 -30.6019 GPRESSAVG: 1998600 11.428 30.0996 -1.41678 29.772 51.0286 -39.5067 -4.56616 -41.6843 -31.0068 TIMING: 1998600 CPU: 5968.29, 0.00297665/step Wall: 5968.29, 0.00297665/step, 2.4817 hours remaining, 207.425781 MB of memory in use. ENERGY: 1998600 771.4254 2104.4426 1925.3022 131.9226 -205867.7411 17630.0638 0.0000 0.0000 34342.7483 -148961.8362 299.9238 -183304.5844 -148863.0782 300.1197 -35.7375 -1.6974 556599.2781 10.6202 10.4833 PRESSURE: 1998800 -131.513 -11.234 8.78843 -11.2331 -29.1387 -22.1191 8.78957 -22.1187 -107.255 GPRESSURE: 1998800 -60.6302 25.5618 -7.10021 -71.8626 -15.7936 -56.7713 -25.7329 79.5351 -84.4534 PRESSAVG: 1998800 20.3213 -13.2682 17.7759 -13.2682 -18.628 -6.61748 17.7759 -6.61768 13.7239 GPRESSAVG: 1998800 19.438 -13.6474 17.9638 -14.4191 -18.6458 -6.38065 16.5658 -7.25424 14.2193 TIMING: 1998800 CPU: 5968.89, 0.00298686/step Wall: 5968.89, 0.00298686/step, 2.49004 hours remaining, 207.425781 MB of memory in use. ENERGY: 1998800 765.3472 2087.6249 1918.8318 120.5422 -205930.6120 17657.9213 0.0000 0.0000 34517.8853 -148862.4593 301.4533 -183380.3445 -148761.3479 300.3827 -89.3025 -53.6257 557584.2912 5.1391 5.0039 PRESSURE: 1999000 -97.1385 -126.693 54.1211 -126.693 20.5758 15.5432 54.1202 15.5432 -54.472 GPRESSURE: 1999000 -88.8478 -161.357 37.8979 -91.5045 46.5945 -64.593 -0.974259 30.4229 5.49701 PRESSAVG: 1999000 30.1417 -24.801 22.3192 -24.801 60.2504 2.3605 22.3191 2.36047 -49.0066 GPRESSAVG: 1999000 31.1817 -22.7929 21.9859 -24.7456 59.9619 1.19118 23.8344 3.10496 -49.7439 TIMING: 1999000 CPU: 5969.49, 0.00300513/step Wall: 5969.49, 0.00300513/step, 2.50511 hours remaining, 207.425781 MB of memory in use. ENERGY: 1999000 790.2181 2142.3162 1942.6535 117.5955 -206478.3237 17931.2418 0.0000 0.0000 34455.2624 -149099.0362 300.9064 -183554.2987 -149003.0418 300.9774 -43.6782 -12.2521 557435.3790 13.7952 13.7999 PRESSURE: 1999200 39.5163 -153.851 33.9047 -153.851 -219.886 89.7146 33.9034 89.714 48.8902 GPRESSURE: 1999200 111.435 -174.125 94.7576 -123.481 -211.468 106.983 27.7387 71.3737 75.0805 PRESSAVG: 1999200 79.3514 39.369 52.8994 39.369 -21.9679 -23.0655 52.8994 -23.0654 -59.9049 GPRESSAVG: 1999200 80.8832 38.8823 52.0254 37.8834 -22.582 -23.2997 53.2615 -23.5927 -60.8536 TIMING: 1999200 CPU: 5970.09, 0.00303611/step Wall: 5970.09, 0.00303611/step, 2.53077 hours remaining, 207.425781 MB of memory in use. ENERGY: 1999200 747.2518 2098.0291 1935.7727 120.3514 -205948.5641 17786.6233 0.0000 0.0000 34159.0365 -149101.4993 298.3194 -183260.5358 -149008.0174 300.0529 -43.8264 -8.3176 558943.6500 -0.8405 -0.8508 PRESSURE: 1999400 300.352 -4.19509 37.2565 -4.19495 -58.848 -54.2892 37.2571 -54.2917 -17.2662 GPRESSURE: 1999400 319.414 -74.538 67.2799 54.0068 -57.6153 -24.3807 27.6823 -87.2149 56.3989 PRESSAVG: 1999400 56.1991 22.4768 -8.18171 22.4768 -62.5201 -23.8315 -8.18169 -23.8315 -5.75049 GPRESSAVG: 1999400 55.5221 21.1751 -6.70032 25.5265 -63.2509 -23.274 -8.24297 -23.3166 -4.86981 TIMING: 1999400 CPU: 5970.7, 0.00302723/step Wall: 5970.7, 0.00302723/step, 2.52319 hours remaining, 207.425781 MB of memory in use. ENERGY: 1999400 765.3122 2109.6940 1954.2376 114.3086 -206206.5304 17964.7491 0.0000 0.0000 34295.0251 -149003.2040 299.5070 -183298.2291 -148907.7637 299.4993 74.7460 106.0660 557196.5644 -4.0239 -4.1995 PRESSURE: 1999600 -88.271 -47.5612 84.3897 -47.5608 54.2304 -175.892 84.39 -175.891 -110.457 GPRESSURE: 1999600 -108.904 -127.388 42.7196 -12.4034 117.333 -225.441 181.993 -102.804 -66.9034 PRESSAVG: 1999600 26.5694 21.8307 -2.00667 21.8306 -7.73125 -27.1156 -2.00675 -27.1156 0.976269 GPRESSAVG: 1999600 24.6724 24.9621 -2.89252 20.2168 -5.3498 -27.5702 -0.382691 -27.8393 0.27363 TIMING: 1999600 CPU: 5971.29, 0.00297385/step Wall: 5971.29, 0.00297385/step, 2.47854 hours remaining, 207.425781 MB of memory in use. ENERGY: 1999600 742.2843 2156.6905 1926.6303 104.3281 -205836.9508 17590.5755 0.0000 0.0000 34206.0623 -149110.3799 298.7300 -183316.4422 -149017.9389 299.6440 -48.1657 -19.4915 557836.2309 6.6048 6.5321 PRESSURE: 1999800 -74.1069 -77.1253 64.5957 -77.1237 -5.98712 -201.589 64.5968 -201.59 69.4858 GPRESSURE: 1999800 -1.60075 -57.2925 125.183 46.0874 -2.16899 -251.564 106.955 -162.492 109.508 PRESSAVG: 1999800 -27.533 -7.85057 62.4748 -7.85054 57.764 -53.3359 62.4748 -53.3358 -12.0142 GPRESSAVG: 1999800 -26.9224 -10.1101 61.5169 -7.73201 56.6346 -53.2716 62.6165 -53.9743 -11.215 TIMING: 1999800 CPU: 5971.89, 0.00296939/step Wall: 5971.89, 0.00296939/step, 2.47465 hours remaining, 207.425781 MB of memory in use. ENERGY: 1999800 784.7197 2080.7899 1915.4294 99.8355 -206221.8302 17634.2593 0.0000 0.0000 34562.3154 -149144.4811 301.8413 -183706.7965 -149041.7189 299.1497 -3.5361 35.2462 557263.9689 6.0723 6.1657 PRESSURE: 2000000 46.2057 66.817 19.8274 66.8185 50.5763 -85.1532 19.8276 -85.1516 -30.0902 GPRESSURE: 2000000 97.8118 -0.754931 36.5595 5.52814 71.6968 -34.3701 -24.0815 -99.2137 -6.85871 PRESSAVG: 2000000 7.07628 -18.726 23.7266 -18.726 11.1242 -52.7877 23.7266 -52.7877 -12.7659 GPRESSAVG: 2000000 7.59258 -21.5514 26.1878 -17.0016 11.0625 -53.7201 21.3334 -51.8546 -13.1152 TIMING: 2000000 CPU: 5972.48, 0.0029731/step Wall: 5972.48, 0.0029731/step, 2.47758 hours remaining, 207.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2000000 745.6332 2135.0270 1920.6772 109.7163 -206105.9604 17667.2712 0.0000 0.0000 34432.6482 -149094.9873 300.7089 -183527.6355 -149001.1020 299.7929 22.2306 54.2166 557549.2225 1.8115 1.8466 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2000000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 2000000 WRITING COORDINATES TO RESTART FILE AT STEP 2000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2000200 -53.3965 -166.426 -39.2749 -166.425 54.5007 -47.4889 -39.2762 -47.4889 -28.7934 GPRESSURE: 2000200 -12.8423 -192.101 41.9483 -191.361 123.75 -117.485 -65.9839 -49.273 -16.8324 PRESSAVG: 2000200 -0.0579319 10.3359 44.7587 10.3358 -0.633142 -41.4473 44.7587 -41.4473 34.4115 GPRESSAVG: 2000200 0.744883 13.7632 46.0642 8.57145 -2.64717 -41.1192 44.9716 -40.424 36.5217 TIMING: 2000200 CPU: 5973.1, 0.00305914/step Wall: 5973.1, 0.00305914/step, 2.54911 hours remaining, 207.425781 MB of memory in use. ENERGY: 2000200 767.4917 2136.1878 1953.6637 114.7756 -205987.3789 17689.7556 0.0000 0.0000 34180.2981 -149145.2065 298.5050 -183325.5046 -149044.9608 299.5261 -9.2297 31.3585 557462.6424 11.2401 11.5398 LDB: ============= START OF LOAD BALANCING ============== 5976.64 LDB: ============== END OF LOAD BALANCING =============== 5976.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5976.64 LDB: ============= START OF LOAD BALANCING ============== 5976.93 LDB: Largest compute 4773 load 0.030733 is 26.0% of average load 0.118130 LDB: Average compute 0.001735 is 1.5% of average load 0.118130 LDB: TIME 5976.94 LOAD: AVG 0.11813 MAX 0.197507 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 5976.94 LOAD: AVG 0.11813 MAX 0.197507 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.492 MB LDB: TIME 5976.94 LOAD: AVG 0.11813 MAX 0.197507 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.492 MB LDB: ============== END OF LOAD BALANCING =============== 5976.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5976.94 PRESSURE: 2000400 328.371 19.7466 33.7734 19.7468 304.546 -152.281 33.7735 -152.281 56.7314 GPRESSURE: 2000400 369.139 42.59 -4.21429 -53.9799 326.614 -145.919 60.6773 -102.236 90.364 PRESSAVG: 2000400 49.013 8.10543 -32.5977 8.10546 -30.3903 -38.9967 -32.5977 -38.9966 -60.5505 GPRESSAVG: 2000400 49.3142 6.16081 -33.2202 8.3499 -28.6679 -38.1568 -31.9824 -41.3122 -62.5949 TIMING: 2000400 CPU: 5973.69, 0.00298815/step Wall: 5973.69, 0.00298815/step, 2.48979 hours remaining, 208.257812 MB of memory in use. ENERGY: 2000400 740.4261 2089.8565 1941.0412 113.9552 -206442.8573 18116.9370 0.0000 0.0000 34316.3391 -149124.3023 299.6931 -183440.6413 -149031.4234 298.9944 229.8827 262.0390 557397.6685 -13.9759 -13.9829 PRESSURE: 2000600 117.975 -174.013 -180.384 -174.012 76.966 -140.86 -180.381 -140.86 -58.9153 GPRESSURE: 2000600 162.912 -196.954 -107.52 -212.504 67.873 -122.017 -148.836 -122.844 2.4451 PRESSAVG: 2000600 -23.7423 27.9366 18.7265 27.9365 43.969 -20.0934 18.7265 -20.0934 -10.8551 GPRESSAVG: 2000600 -24.6072 28.3647 19.574 26.884 44.5481 -20.3166 17.6995 -17.0431 -10.2926 TIMING: 2000600 CPU: 5974.28, 0.00295494/step Wall: 5974.28, 0.00295494/step, 2.46196 hours remaining, 208.257812 MB of memory in use. ENERGY: 2000600 730.2431 2165.2939 1950.4649 124.0597 -206470.3604 17983.6201 0.0000 0.0000 34261.1452 -149255.5335 299.2111 -183516.6787 -149160.1963 299.1684 45.3419 77.7435 558111.2068 3.1239 3.2161 PRESSURE: 2000800 45.2028 -126.506 -185.667 -126.508 -109.622 275.583 -185.667 275.583 -85.5827 GPRESSURE: 2000800 68.3327 -61.0555 -165.34 -155.188 -56.3288 214.475 -216.071 224.067 -59.126 PRESSAVG: 2000800 18.1581 12.7534 -6.55046 12.7534 10.575 11.9584 -6.55051 11.9582 -45.7528 GPRESSAVG: 2000800 18.8412 14.4308 -7.81094 11.6006 9.27993 9.70002 -7.39169 11.2238 -45.2599 TIMING: 2000800 CPU: 5974.88, 0.00297533/step Wall: 5974.88, 0.00297533/step, 2.47878 hours remaining, 208.257812 MB of memory in use. ENERGY: 2000800 734.7916 2084.5460 1931.8406 122.3020 -206091.3771 17782.9410 0.0000 0.0000 34166.2529 -149268.7031 298.3824 -183434.9560 -149170.3019 299.0976 -50.0007 -15.7074 558398.7832 -5.6732 -5.7129 PRESSURE: 2001000 33.5654 88.8131 -117.848 88.8143 -4.04951 185.884 -117.848 185.882 119.604 GPRESSURE: 2001000 88.7521 80.1156 -73.5365 15.7761 2.12673 125.357 -129.618 251.506 148.673 PRESSAVG: 2001000 30.939 27.0721 15.2714 27.0722 48.6571 1.09777 15.2715 1.09789 -62.4227 GPRESSAVG: 2001000 29.9381 27.6507 15.8706 26.1709 49.9558 3.3701 15.6364 0.729963 -62.9604 TIMING: 2001000 CPU: 5975.47, 0.00296837/step Wall: 5975.47, 0.00296837/step, 2.47282 hours remaining, 208.257812 MB of memory in use. ENERGY: 2001000 734.5300 2117.1916 1934.0268 108.9960 -206625.7621 18052.2567 0.0000 0.0000 34344.7481 -149334.0129 299.9412 -183678.7609 -149232.9710 299.2071 49.7065 79.8508 557004.0912 5.7245 5.6445 PRESSURE: 2001200 70.9612 128.845 11.2504 128.842 109.876 81.7536 11.2507 81.7535 13.687 GPRESSURE: 2001200 115.33 192.015 11.9164 79.5319 103.425 21.6996 -35.7013 131.157 76.8622 PRESSAVG: 2001200 6.0717 -17.8288 -55.4627 -17.8289 -72.5268 46.7763 -55.4627 46.7763 63.6065 GPRESSAVG: 2001200 6.09959 -19.4967 -57.9756 -17.1894 -72.7654 45.8547 -55.3712 46.2289 63.5935 TIMING: 2001200 CPU: 5976.06, 0.0029555/step Wall: 5976.06, 0.0029555/step, 2.46193 hours remaining, 208.257812 MB of memory in use. ENERGY: 2001200 727.2056 2117.5981 1940.1426 118.5211 -205971.7707 17730.5887 0.0000 0.0000 34053.4727 -149284.2421 297.3974 -183337.7148 -149192.3764 299.3071 64.8413 98.5392 556789.4857 -0.9495 -1.0241 PRESSURE: 2001400 -1.89299 3.48946 -7.8437 3.49038 89.0037 17.4599 -7.84303 17.4635 -5.13114 GPRESSURE: 2001400 96.1141 -16.5516 -16.0531 34.7131 32.8162 46.472 12.3285 -14.2039 60.4033 PRESSAVG: 2001400 34.6556 14.8918 -0.191766 14.8918 -44.7422 11.8029 -0.191838 11.8029 42.7678 GPRESSAVG: 2001400 33.5579 15.9146 1.73466 16.609 -44.4492 14.6949 -0.993577 11.1058 44.0102 TIMING: 2001400 CPU: 5976.67, 0.00301413/step Wall: 5976.67, 0.00301413/step, 2.5106 hours remaining, 208.257812 MB of memory in use. ENERGY: 2001400 733.4366 2102.5846 1948.8232 121.7691 -206338.3599 17872.5937 0.0000 0.0000 34326.4739 -149232.6788 299.7816 -183559.1527 -149137.1745 299.4878 27.3265 63.1112 556633.9190 10.8937 11.0397 PRESSURE: 2001600 13.4165 -6.29809 -33.2168 -6.29865 61.3719 31.1296 -33.2176 31.1305 -215.044 GPRESSURE: 2001600 33.9104 35.7913 27.1736 6.89132 81.6742 100.652 -8.20251 -21.7577 -147.681 PRESSAVG: 2001600 15.4764 0.538783 -17.1895 0.538885 35.309 -35.8204 -17.1896 -35.8204 -11.4939 GPRESSAVG: 2001600 15.5014 0.557022 -18.1323 0.827674 35.2195 -38.1002 -15.9196 -35.5977 -11.781 TIMING: 2001600 CPU: 5977.27, 0.00300985/step Wall: 5977.27, 0.00300985/step, 2.50687 hours remaining, 208.328125 MB of memory in use. ENERGY: 2001600 709.5837 2087.5298 1949.6184 108.3239 -206146.6154 17635.3873 0.0000 0.0000 34191.0353 -149465.1371 298.5988 -183656.1724 -149363.6502 299.5463 -46.7520 -10.6987 556962.7683 13.0972 12.9800 PRESSURE: 2001800 -241.343 5.41537 -94.6088 5.4141 95.6093 -64.3939 -94.6084 -64.3951 -168.086 GPRESSURE: 2001800 -216.749 3.12922 -65.9813 -50.5909 134.769 12.8313 -77.3947 -58.3516 -131.617 PRESSAVG: 2001800 -59.4675 -14.1685 -18.5883 -14.1685 34.146 27.9995 -18.5883 27.9994 -10.5516 GPRESSAVG: 2001800 -58.7338 -14.0215 -18.3269 -14.2009 34.3557 29.4977 -19.726 29.7811 -11.5618 TIMING: 2001800 CPU: 5977.88, 0.00304063/step Wall: 5977.88, 0.00304063/step, 2.53234 hours remaining, 208.328125 MB of memory in use. ENERGY: 2001800 744.0719 2162.9517 1925.6512 107.3963 -206244.9350 17655.5146 0.0000 0.0000 34198.5905 -149450.7589 298.6648 -183649.3494 -149354.0086 299.3371 -104.6066 -71.1991 556847.8823 -11.9577 -11.9800 PRESSURE: 2002000 27.8132 82.4818 -83.619 82.4804 -328.867 209.801 -83.619 209.8 -106.403 GPRESSURE: 2002000 80.6691 60.2796 -46.359 126.537 -323.259 211.486 2.36372 160.465 -66.5925 PRESSAVG: 2002000 -21.4644 -15.336 10.8957 -15.336 22.9556 -14.0576 10.8958 -14.0576 12.4246 GPRESSAVG: 2002000 -20.9638 -13.9348 12.8257 -16.2084 22.9039 -15.3202 10.3965 -12.9881 12.0622 TIMING: 2002000 CPU: 5978.48, 0.00302319/step Wall: 5978.48, 0.00302319/step, 2.51765 hours remaining, 208.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2002000 760.3069 2153.1346 1943.5574 100.4415 -206355.4729 17907.1245 0.0000 0.0000 34183.5906 -149307.3173 298.5338 -183490.9079 -149214.4204 300.1450 -135.8191 -103.0609 556666.1396 4.6386 4.6674 PRESSURE: 2002200 -100.115 55.8362 93.3669 55.837 -185.514 100.697 93.3678 100.696 99.2238 GPRESSURE: 2002200 -112.675 40.8501 85.8182 119.398 -115.535 131.499 81.2828 83.7535 136.483 PRESSAVG: 2002200 28.1511 12.1725 -60.5362 12.1725 -40.185 26.3504 -60.5361 26.3504 18.0168 GPRESSAVG: 2002200 27.0314 8.85756 -63.5444 14.7421 -38.7929 27.605 -58.2664 24.9325 18.1902 TIMING: 2002200 CPU: 5979.08, 0.00298651/step Wall: 5979.08, 0.00298651/step, 2.48693 hours remaining, 208.328125 MB of memory in use. ENERGY: 2002200 706.0736 2087.5645 1935.2938 111.3148 -205967.2335 17692.8287 0.0000 0.0000 34189.5974 -149244.5606 298.5863 -183434.1581 -149148.0745 299.9303 -62.1348 -30.5759 557420.9093 1.9943 2.1429 PRESSURE: 2002400 -145.589 145.394 -170.929 145.395 -156.615 84.9516 -170.928 84.9514 -39.1012 GPRESSURE: 2002400 -172.881 122.796 -173.182 81.4089 -100.713 54.0509 -140.471 154.445 27.1479 PRESSAVG: 2002400 -32.1502 -3.60052 -40.2119 -3.60049 -16.2661 -13.3951 -40.2119 -13.395 38.455 GPRESSAVG: 2002400 -32.4003 -4.58208 -39.8746 -4.05368 -17.0729 -14.5699 -41.62 -13.3988 39.3219 TIMING: 2002400 CPU: 5979.67, 0.00298218/step Wall: 5979.67, 0.00298218/step, 2.48316 hours remaining, 208.328125 MB of memory in use. ENERGY: 2002400 754.5296 2111.2360 1930.5309 103.5185 -206000.4336 17711.5189 0.0000 0.0000 34139.0321 -149250.0675 298.1447 -183389.0997 -149154.0182 299.4171 -113.7684 -82.1489 557906.9972 -3.3204 -3.3838 PRESSURE: 2002600 330.776 -144.362 -10.378 -144.361 -140.233 -4.11599 -10.378 -4.11423 -76.9956 GPRESSURE: 2002600 303.257 -184.344 -47.853 -73.5836 -6.92711 46.2362 -54.1888 -70.8772 -79.6757 PRESSAVG: 2002600 27.081 43.288 76.321 43.288 -61.5849 37.5908 76.321 37.5908 34.7958 GPRESSAVG: 2002600 28.8777 44.2832 77.2117 44.5647 -62.2615 38.9643 76.6582 36.6721 33.7946 TIMING: 2002600 CPU: 5980.27, 0.0029637/step Wall: 5980.27, 0.0029637/step, 2.46761 hours remaining, 208.328125 MB of memory in use. ENERGY: 2002600 726.1836 2092.7414 1936.7177 116.5279 -206254.0317 17827.7337 0.0000 0.0000 34311.3045 -149242.8229 299.6492 -183554.1274 -149144.9324 299.0706 37.8493 72.2181 555774.8463 0.0973 0.1369 PRESSURE: 2002800 2.90805 -0.446553 55.5697 -0.445496 -294.107 9.56253 55.5707 9.56276 -88.4487 GPRESSURE: 2002800 34.11 112.7 23.4026 -47.2482 -241.724 83.3255 94.362 -61.6554 -57.8357 PRESSAVG: 2002800 90.6699 -46.4056 2.01801 -46.4057 -92.3909 54.7194 2.01801 54.7193 33.1671 GPRESSAVG: 2002800 89.2823 -43.8931 1.6307 -49.8113 -91.4588 54.051 1.61622 55.891 33.5027 TIMING: 2002800 CPU: 5980.85, 0.00293534/step Wall: 5980.85, 0.00293534/step, 2.44384 hours remaining, 208.328125 MB of memory in use. ENERGY: 2002800 712.5006 2070.7978 1963.6203 107.8904 -206249.7119 17629.6716 0.0000 0.0000 34591.6055 -149173.6257 302.0971 -183765.2312 -149074.6816 299.5515 -126.5491 -88.4833 556895.8637 10.4821 10.4421 PRESSURE: 2003000 -31.4652 19.9838 -116.445 19.9833 -94.1724 15.5814 -116.445 15.582 248.951 GPRESSURE: 2003000 26.3603 15.9218 -109.846 -43.6869 -43.9063 101.005 -86.6422 31.2063 246.345 PRESSAVG: 2003000 44.4003 12.1337 21.3842 12.1337 -25.1138 34.4934 21.3841 34.4934 -60.5174 GPRESSAVG: 2003000 45.8296 10.005 20.9177 12.8992 -26.3852 34.4333 22.7971 33.818 -60.8061 TIMING: 2003000 CPU: 5981.44, 0.00294352/step Wall: 5981.44, 0.00294352/step, 2.45048 hours remaining, 208.328125 MB of memory in use. ENERGY: 2003000 744.4402 2034.3238 1958.5571 124.8465 -206337.1957 17725.1313 0.0000 0.0000 34478.1767 -149271.7201 301.1065 -183749.8968 -149171.5036 299.7000 41.1044 76.2664 555225.6641 -13.7436 -13.7872 PRESSURE: 2003200 28.1138 99.4213 -14.1889 99.42 112.348 -33.7264 -14.1885 -33.7251 -78.8816 GPRESSURE: 2003200 60.756 81.2606 -28.1772 127.119 152.18 -7.61521 -7.27269 18.1661 -48.6198 PRESSAVG: 2003200 46.9231 -3.32113 -11.8627 -3.32118 25.4491 -8.93137 -11.8628 -8.93144 -46.1537 GPRESSAVG: 2003200 46.7885 -2.72584 -11.8866 -4.00157 25.5283 -8.80136 -11.9845 -8.14038 -46.0824 TIMING: 2003200 CPU: 5982.03, 0.00295206/step Wall: 5982.03, 0.00295206/step, 2.45743 hours remaining, 208.328125 MB of memory in use. ENERGY: 2003200 747.3061 2097.1442 1921.4311 111.6244 -206258.1545 17844.7124 0.0000 0.0000 34321.6272 -149214.3091 299.7393 -183535.9363 -149110.7521 299.1314 20.5267 54.7722 556348.3605 8.7395 8.7448 PRESSURE: 2003400 -54.093 13.8398 173.941 13.8389 -48.5897 -179.648 173.941 -179.648 86.8138 GPRESSURE: 2003400 -2.70078 119.316 162.252 -63.1022 -93.2989 -147.153 172.012 -194.001 178.449 PRESSAVG: 2003400 16.3261 58.5193 0.83666 58.5192 -14.6095 -39.3819 0.836679 -39.3819 2.06431 GPRESSAVG: 2003400 14.3893 59.4914 1.25016 58.4005 -14.022 -39.4922 1.50663 -38.7987 2.92915 TIMING: 2003400 CPU: 5982.62, 0.00293516/step Wall: 5982.62, 0.00293515/step, 2.44319 hours remaining, 208.328125 MB of memory in use. ENERGY: 2003400 768.3515 2108.9379 1921.9898 111.6152 -205902.7297 17631.7779 0.0000 0.0000 34367.5846 -148992.4727 300.1407 -183360.0574 -148899.2879 299.9054 -5.2896 27.4831 556488.7269 1.2603 1.0988 PRESSURE: 2003600 29.7165 -18.0172 -16.5938 -18.0176 -98.814 38.0173 -16.595 38.0185 59.101 GPRESSURE: 2003600 43.5782 -26.394 -28.1661 -46.0373 -50.0913 52.2129 -19.9744 39.006 98.4973 PRESSAVG: 2003600 -19.535 -31.1566 27.2026 -31.1565 26.8098 -22.0195 27.2025 -22.0195 -14.8113 GPRESSAVG: 2003600 -18.7099 -33.0886 27.3272 -30.0264 26.3603 -20.1786 26.1691 -24.5893 -15.0622 TIMING: 2003600 CPU: 5983.21, 0.0029565/step Wall: 5983.21, 0.0029565/step, 2.46079 hours remaining, 208.328125 MB of memory in use. ENERGY: 2003600 758.1362 2121.8024 1930.0979 106.4378 -206074.1076 17643.8789 0.0000 0.0000 34535.4676 -148978.2868 301.6068 -183513.7544 -148883.2656 299.9970 -3.3322 30.6614 555598.3401 -2.5122 -2.4706 PRESSURE: 2003800 -36.7932 -138.648 -54.9945 -138.648 303.445 -47.7989 -54.9966 -47.798 -95.9495 GPRESSURE: 2003800 83.265 -189.899 -15.9366 -200.773 279.112 -36.2603 -71.6691 -18.1963 -89.3183 PRESSAVG: 2003800 -21.6702 6.74628 -34.3844 6.74624 39.6092 -6.37489 -34.3844 -6.37488 -51.515 GPRESSAVG: 2003800 -20.5479 9.49261 -34.7271 5.86244 40.0592 -7.94955 -34.4996 -5.0838 -52.5616 TIMING: 2003800 CPU: 5983.8, 0.00295982/step Wall: 5983.8, 0.00295982/step, 2.46339 hours remaining, 208.328125 MB of memory in use. ENERGY: 2003800 771.5531 2088.2831 1915.0392 105.1770 -205944.9440 17843.6107 0.0000 0.0000 34092.7329 -149128.5481 297.7403 -183221.2810 -149034.3012 298.9020 56.9006 91.0195 556952.0920 -11.1920 -11.0168 PRESSURE: 2004000 -106.261 21.7718 4.9626 21.7715 -393.217 21.313 4.96209 21.3135 -386.588 GPRESSURE: 2004000 -62.5299 -7.5257 -19.9921 17.9747 -313.983 78.8395 61.3776 9.53074 -401.697 PRESSAVG: 2004000 -5.20092 -16.1668 35.6617 -16.1668 -14.8847 -21.535 35.6617 -21.5349 -0.11682 GPRESSAVG: 2004000 -4.77045 -18.485 35.2234 -16.1817 -15.8676 -19.9515 34.7063 -20.6227 -0.356951 TIMING: 2004000 CPU: 5984.39, 0.00293813/step Wall: 5984.39, 0.00293813/step, 2.44517 hours remaining, 208.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2004000 744.5784 2076.9952 1900.7224 113.5904 -205612.0567 17366.9513 0.0000 0.0000 34166.3654 -149242.8535 298.3834 -183409.2189 -149145.6585 299.0300 -295.3551 -259.4033 558684.3794 -6.7342 -6.9983 PRESSURE: 2004200 -97.2128 -10.2739 14.6756 -10.2742 109.865 87.7043 14.6771 87.704 -154.02 GPRESSURE: 2004200 -68.0027 6.02616 -1.59625 -10.024 126.512 128.567 7.39409 139.774 -96.3488 PRESSAVG: 2004200 48.1492 -42.2018 -28.3097 -42.2019 -91.4542 45.4526 -28.3097 45.4525 20.5726 GPRESSAVG: 2004200 47.7288 -42.0245 -26.7914 -40.8702 -91.9316 45.2001 -28.0937 44.4113 21.6786 TIMING: 2004200 CPU: 5984.98, 0.00294895/step Wall: 5984.98, 0.00294895/step, 2.45402 hours remaining, 208.328125 MB of memory in use. ENERGY: 2004200 785.8874 2084.8579 1892.2449 116.8652 -206053.1936 17865.4934 0.0000 0.0000 34322.1197 -148985.7250 299.7436 -183307.8447 -148895.0685 299.6255 -47.1228 -12.6133 558609.9645 -7.5775 -7.5081 LDB: ============= START OF LOAD BALANCING ============== 5988.52 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5988.52 LDB: =============== DONE WITH MIGRATION ================ 5988.53 LDB: ============= START OF LOAD BALANCING ============== 5988.82 LDB: Largest compute 4773 load 0.028870 is 24.4% of average load 0.118123 LDB: Average compute 0.001731 is 1.5% of average load 0.118123 LDB: TIME 5988.82 LOAD: AVG 0.118123 MAX 0.202581 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.543 MB LDB: TIME 5988.82 LOAD: AVG 0.118123 MAX 0.202581 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.547 MB LDB: TIME 5988.82 LOAD: AVG 0.118123 MAX 0.202581 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.547 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5988.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5988.83 PRESSURE: 2004400 195.671 -95.0472 100.866 -95.0477 334.66 30.0327 100.866 30.0325 291.718 GPRESSURE: 2004400 246.334 -8.49483 92.5085 -84.7066 381.796 18.1027 84.2677 55.6467 285.741 PRESSAVG: 2004400 -24.8025 28.21 19.8663 28.21 11.7834 -12.8941 19.8664 -12.8939 20.693 GPRESSAVG: 2004400 -23.4342 27.194 18.4837 28.6504 12.1593 -13.2361 19.6876 -12.1335 19.1255 TIMING: 2004400 CPU: 5985.58, 0.0029914/step Wall: 5985.58, 0.0029914/step, 2.48918 hours remaining, 207.085938 MB of memory in use. ENERGY: 2004400 721.0056 2125.3565 1915.9335 114.0962 -206329.0160 18073.9372 0.0000 0.0000 34329.2224 -149049.4645 299.8056 -183378.6869 -148961.1351 299.9183 274.0161 304.6238 557561.3620 2.5580 2.6168 PRESSURE: 2004600 -3.71216 69.8561 -71.6444 69.8569 -70.5625 87.5853 -71.6447 87.5854 7.47497 GPRESSURE: 2004600 -26.0379 108.514 -12.1932 17.0478 -22.8193 21.0088 -106.1 20.25 87.3804 PRESSAVG: 2004600 21.254 -18.2883 -4.7173 -18.2884 33.9934 46.7316 -4.71741 46.7317 -36.0774 GPRESSAVG: 2004600 19.8579 -17.7904 -1.38297 -19.7477 34.0473 47.4858 -6.09171 46.582 -34.3059 TIMING: 2004600 CPU: 5986.17, 0.00294817/step Wall: 5986.17, 0.00294817/step, 2.45304 hours remaining, 207.285156 MB of memory in use. ENERGY: 2004600 733.6904 2013.1804 1927.1653 106.1005 -205963.5163 17774.2623 0.0000 0.0000 34503.7716 -148905.3459 301.3300 -183409.1175 -148806.2283 300.5400 -22.2666 12.8411 558576.3441 6.3900 6.5331 PRESSURE: 2004800 -240.517 -1.96899 -2.55359 -1.96982 25.0925 114.532 -2.55412 114.533 -33.1827 GPRESSURE: 2004800 -208.417 82.0602 13.3078 -10.2176 101.68 185.181 -51.3724 43.4453 -39.6278 PRESSAVG: 2004800 -16.522 -28.8605 -6.70913 -28.8605 -42.6875 -42.6977 -6.70919 -42.6977 1.95727 GPRESSAVG: 2004800 -16.649 -28.7937 -11.3977 -29.806 -41.099 -45.8835 -5.2832 -43.3378 0.651813 TIMING: 2004800 CPU: 5986.76, 0.00294428/step Wall: 5986.76, 0.00294428/step, 2.44964 hours remaining, 207.285156 MB of memory in use. ENERGY: 2004800 757.8114 2118.3644 1942.6847 116.6570 -205614.1499 17582.2545 0.0000 0.0000 34305.6943 -148790.6836 299.6002 -183096.3779 -148701.3186 300.0060 -82.8690 -48.7883 558794.6794 -19.0841 -19.0321 PRESSURE: 2005000 125.001 -7.67015 -17.4607 -7.67044 -211.093 23.1423 -17.4612 23.1415 214.251 GPRESSURE: 2005000 147.277 -13.7246 -65.0673 9.04862 -137.016 37.8802 -76.5591 -25.7799 220.062 PRESSAVG: 2005000 -40.2742 -34.9207 -2.20369 -34.9206 31.9709 27.2133 -2.2037 27.2133 15.6867 GPRESSAVG: 2005000 -39.826 -32.6997 0.191678 -34.3747 30.7834 31.1056 -0.864476 27.2605 15.7016 TIMING: 2005000 CPU: 5987.34, 0.00291548/step Wall: 5987.34, 0.00291548/step, 2.42552 hours remaining, 207.285156 MB of memory in use. ENERGY: 2005000 762.1465 2054.1512 1934.4788 115.3310 -206008.6852 17710.4002 0.0000 0.0000 34524.0489 -148908.1286 301.5071 -183432.1775 -148815.3533 300.7498 42.7198 76.7744 557414.8658 2.4612 2.2197 PRESSURE: 2005200 -214.81 -142.041 163.295 -142.04 -128.51 179.959 163.295 179.958 -96.6427 GPRESSURE: 2005200 -175.778 -165.152 206.033 -122.978 -95.1875 204.945 192.191 200.185 -79.2718 PRESSAVG: 2005200 -4.56727 -0.0676549 44.837 -0.0675778 20.6329 11.8416 44.8371 11.8415 -24.1223 GPRESSAVG: 2005200 -4.805 -0.655224 43.8886 -0.163797 21.5128 10.9394 44.5109 10.2424 -24.4537 TIMING: 2005200 CPU: 5987.93, 0.00294298/step Wall: 5987.93, 0.00294298/step, 2.44824 hours remaining, 207.285156 MB of memory in use. ENERGY: 2005200 764.2570 2111.5101 1927.7268 101.2319 -205488.6610 17511.9237 0.0000 0.0000 34457.5051 -148614.5064 300.9260 -183072.0116 -148517.2716 300.9764 -146.6542 -116.7456 557417.5446 -2.6856 -2.5820 PRESSURE: 2005400 64.4887 -111.194 -125.545 -111.193 31.9562 65.4232 -125.545 65.4222 7.61332 GPRESSURE: 2005400 32.7243 -6.34452 -110.519 -115.055 120.501 45.0139 -150.084 86.4005 44.6128 PRESSAVG: 2005400 -22.0356 -89.5387 33.7997 -89.5387 38.4706 13.6255 33.7997 13.6254 -8.94418 GPRESSAVG: 2005400 -22.9453 -89.1718 33.1624 -90.64 38.5771 12.6421 32.9524 16.3872 -7.68406 TIMING: 2005400 CPU: 5988.52, 0.00297275/step Wall: 5988.52, 0.00297275/step, 2.47284 hours remaining, 207.285156 MB of memory in use. ENERGY: 2005400 713.6100 2097.9161 1924.4239 103.7624 -205726.7089 17738.6628 0.0000 0.0000 34392.9998 -148755.3338 300.3626 -183148.3336 -148653.6949 301.4635 34.6861 65.9459 557001.7639 2.4970 2.6493 PRESSURE: 2005600 -164.609 -104.719 55.8369 -104.719 -68.8437 -74.2826 55.8377 -74.2818 -8.98717 GPRESSURE: 2005600 -109.25 -72.2091 9.09757 -89.5118 5.71438 -72.8634 102.646 17.6664 -43.3714 PRESSAVG: 2005600 49.2227 23.0181 -45.8896 23.018 -54.3118 -2.87631 -45.8895 -2.87635 12.8123 GPRESSAVG: 2005600 50.1598 21.4049 -45.6276 23.9766 -55.1467 -3.11036 -44.835 -2.231 12.9168 TIMING: 2005600 CPU: 5989.12, 0.00295483/step Wall: 5989.12, 0.00295483/step, 2.45776 hours remaining, 207.285156 MB of memory in use. ENERGY: 2005600 765.6408 2125.5393 1917.9486 112.8103 -205633.8514 17681.2588 0.0000 0.0000 34334.7797 -148695.8737 299.8542 -183030.6535 -148599.1698 300.4889 -80.8134 -48.9689 557297.7135 2.5744 2.6433 PRESSURE: 2005800 5.03928 52.2701 -83.804 52.2706 -15.6247 104.96 -83.8042 104.959 -54.3817 GPRESSURE: 2005800 34.7454 46.0052 -130.397 44.1936 31.8112 196.361 -37.6361 57.0899 -35.6721 PRESSAVG: 2005800 28.3676 3.79371 3.89526 3.79375 -15.5756 -34.0486 3.89524 -34.0486 -17.0052 GPRESSAVG: 2005800 28.4515 3.29726 4.3401 5.72269 -15.0125 -33.3103 2.84296 -35.747 -17.0928 TIMING: 2005800 CPU: 5989.71, 0.00295144/step Wall: 5989.71, 0.00295144/step, 2.45478 hours remaining, 207.285156 MB of memory in use. ENERGY: 2005800 716.6020 2047.4438 1952.4356 103.6336 -205908.1929 17738.3827 0.0000 0.0000 34549.9120 -148799.7832 301.7330 -183349.6952 -148704.3710 300.4582 -21.6557 10.2949 557369.5263 -1.4044 -1.2180 PRESSURE: 2006000 -331.594 29.4417 -61.8166 29.442 -335.443 65.7847 -61.8171 65.7854 -340.51 GPRESSURE: 2006000 -327.62 79.5832 2.90853 -101.554 -261.274 5.3108 -122.222 85.3099 -329.343 PRESSAVG: 2006000 -4.84925 -4.42028 3.85826 -4.42031 6.17885 16.3616 3.85816 16.3615 -15.4373 GPRESSAVG: 2006000 -4.78013 -0.893073 4.1817 -6.27806 6.43624 14.6665 2.85744 17.5743 -15.8514 TIMING: 2006000 CPU: 5990.29, 0.00292879/step Wall: 5990.29, 0.00292879/step, 2.43577 hours remaining, 207.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2006000 745.8041 2031.7074 1954.4292 109.2063 -205373.9187 17233.4782 0.0000 0.0000 34405.8877 -148893.4059 300.4752 -183299.2936 -148790.8603 300.2792 -335.8489 -306.0794 558743.4291 -4.7026 -4.7317 PRESSURE: 2006200 161.677 -44.1259 -149.703 -44.1263 58.0883 4.79533 -149.704 4.79639 155.63 GPRESSURE: 2006200 203.811 -83.5274 -71.9087 -52.1357 94.6855 -34.4711 -204.617 3.16209 166.779 PRESSAVG: 2006200 -2.99868 5.47966 2.58065 5.47966 1.50484 -53.1022 2.58066 -53.1022 23.7479 GPRESSAVG: 2006200 -3.89246 3.62411 1.94761 5.14733 1.7 -51.2328 3.97477 -53.4977 24.4117 TIMING: 2006200 CPU: 5990.88, 0.00294121/step Wall: 5990.88, 0.00294121/step, 2.44595 hours remaining, 207.285156 MB of memory in use. ENERGY: 2006200 734.5091 2098.8014 1944.6714 105.3954 -205935.3070 17782.7570 0.0000 0.0000 34481.3232 -148787.8494 301.1340 -183269.1726 -148696.4166 300.6218 125.1319 155.0917 556001.2776 7.4180 7.4064 PRESSURE: 2006400 -34.2846 190.894 49.1734 190.894 -0.835065 85.5038 49.1743 85.5047 71.5454 GPRESSURE: 2006400 -9.05508 189.568 4.97925 -0.445273 63.0241 134.538 61.5833 62.2239 85.7902 PRESSAVG: 2006400 -11.769 -12.9319 15.6924 -12.9319 0.168405 -43.7791 15.6924 -43.7791 32.7078 GPRESSAVG: 2006400 -10.9516 -13.8229 14.1369 -12.2413 -0.172906 -42.73 15.8828 -45.9063 31.6964 TIMING: 2006400 CPU: 5991.47, 0.002955/step Wall: 5991.47, 0.002955/step, 2.45725 hours remaining, 207.285156 MB of memory in use. ENERGY: 2006400 760.0131 2073.9511 1962.2905 123.0891 -205913.8158 17799.0990 0.0000 0.0000 34473.8515 -148721.5214 301.0687 -183195.3729 -148620.0402 301.1947 12.1419 46.5864 558195.9889 7.0357 6.8573 PRESSURE: 2006600 -34.9732 -109.383 187.404 -109.383 -32.7999 3.89501 187.404 3.8952 107.432 GPRESSURE: 2006600 -32.5851 -149.625 178.661 -102.667 23.4437 0.176249 307.691 4.31948 147.304 PRESSAVG: 2006600 -53.1299 -3.13449 -8.41738 -3.13452 -22.6453 35.1236 -8.41734 35.1236 34.9957 GPRESSAVG: 2006600 -53.4682 -2.91601 -8.99094 -2.61191 -22.2101 33.9709 -7.24025 35.8441 34.8854 TIMING: 2006600 CPU: 5992.06, 0.00295987/step Wall: 5992.06, 0.00295987/step, 2.46113 hours remaining, 207.285156 MB of memory in use. ENERGY: 2006600 724.7533 2095.2132 1955.9626 109.9581 -205616.5961 17562.3175 0.0000 0.0000 34472.2724 -148696.1190 301.0549 -183168.3914 -148594.2865 301.1981 13.2197 46.0542 556494.1682 -13.5932 -13.5977 PRESSURE: 2006800 -171.254 -5.09242 46.2064 -5.09359 -26.7107 51.7576 46.2046 51.7571 -210.871 GPRESSURE: 2006800 -147.154 31.79 44.5597 -51.3617 35.7143 -6.67295 51.6739 61.9645 -183.612 PRESSAVG: 2006800 74.7396 32.2468 71.177 32.2469 -5.8797 -26.1805 71.177 -26.1805 -94.327 GPRESSAVG: 2006800 74.1384 33.3451 72.0246 31.3594 -6.15426 -26.1733 70.0576 -25.9588 -93.5367 TIMING: 2006800 CPU: 5992.66, 0.00298482/step Wall: 5992.66, 0.00298482/step, 2.48171 hours remaining, 207.285156 MB of memory in use. ENERGY: 2006800 715.6393 2045.2562 1956.7636 111.4797 -205291.1972 17261.7381 0.0000 0.0000 34328.6277 -148871.6926 299.8004 -183200.3203 -148769.1880 300.9247 -136.2785 -98.3504 556918.7783 -8.4890 -8.5175 PRESSURE: 2007000 -9.66284 152.577 -78.1798 152.576 24.085 -82.3385 -78.1801 -82.339 161.897 GPRESSURE: 2007000 35.9746 127.689 -108.854 165.945 68.2899 -109.395 -83.9413 -124.925 167.922 PRESSAVG: 2007000 37.0096 56.4907 11.2662 56.4907 -59.4756 29.8057 11.2661 29.8056 47.4455 GPRESSAVG: 2007000 37.4703 54.4256 11.9428 56.1821 -60.4898 29.1748 10.6709 30.6758 48.4736 TIMING: 2007000 CPU: 5993.26, 0.00297717/step Wall: 5993.26, 0.00297718/step, 2.47519 hours remaining, 207.285156 MB of memory in use. ENERGY: 2007000 770.8001 2121.0297 1954.3320 116.4455 -205976.0142 17812.2184 0.0000 0.0000 34257.3523 -148943.8364 299.1780 -183201.1886 -148848.9279 300.2761 58.7731 90.7287 556025.2677 8.3265 8.4847 PRESSURE: 2007200 -212.344 230.161 -53.6204 230.162 -185.629 -58.8699 -53.6195 -58.8718 -136.2 GPRESSURE: 2007200 -202.982 240.87 24.1735 172.482 -132.989 -113.306 -29.5264 -43.8908 -110.32 PRESSAVG: 2007200 15.5161 -11.8079 23.9661 -11.808 -95.5445 -9.66508 23.9661 -9.66515 91.2563 GPRESSAVG: 2007200 14.2206 -11.628 23.5113 -11.3137 -93.2062 -9.98455 26.5959 -7.74384 90.2019 TIMING: 2007200 CPU: 5993.85, 0.0029676/step Wall: 5993.85, 0.0029676/step, 2.46706 hours remaining, 207.285156 MB of memory in use. ENERGY: 2007200 751.8051 2134.5790 1918.5666 108.0771 -205811.0758 17540.1377 0.0000 0.0000 34311.4607 -149046.4496 299.6505 -183357.9103 -148947.7620 299.7034 -178.0577 -148.7634 557542.4798 3.7426 3.7388 PRESSURE: 2007400 -202.045 -122.091 101.223 -122.089 79.2611 67.7108 101.223 67.7102 152.801 GPRESSURE: 2007400 -201.755 -160.058 74.4442 -61.0006 129.937 68.4026 162.529 -12.8389 193.894 PRESSAVG: 2007400 30.2797 3.07143 16.6721 3.07144 -54.1246 -59.0747 16.6721 -59.0747 70.8564 GPRESSAVG: 2007400 30.8812 3.76851 16.8684 6.25194 -54.5583 -58.3565 14.769 -62.5888 71.0928 TIMING: 2007400 CPU: 5994.45, 0.00298297/step Wall: 5994.45, 0.00298297/step, 2.47967 hours remaining, 207.285156 MB of memory in use. ENERGY: 2007400 758.0418 2160.6174 1940.3653 118.0392 -206092.7018 17755.6551 0.0000 0.0000 34428.1475 -148931.8354 300.6696 -183359.9830 -148832.1193 299.5129 10.0057 40.6921 557851.3474 15.6705 15.8052 PRESSURE: 2007600 63.1864 25.7463 92.5542 25.7459 -367.516 129.647 92.5527 129.646 74.7818 GPRESSURE: 2007600 112.072 -9.65099 145.311 7.54863 -329.075 81.6563 -11.8074 210.588 81.4107 PRESSAVG: 2007600 13.822 18.6954 -35.9925 18.6953 -64.9588 14.6028 -35.9926 14.6027 50.7498 GPRESSAVG: 2007600 13.9065 19.7623 -36.1615 15.7972 -65.6175 13.6645 -37.2492 17.4086 51.4048 TIMING: 2007600 CPU: 5995.04, 0.00295711/step Wall: 5995.04, 0.00295711/step, 2.45802 hours remaining, 207.285156 MB of memory in use. ENERGY: 2007600 776.1999 2093.5715 1949.2459 108.3727 -205945.6212 17812.0311 0.0000 0.0000 34271.3618 -148934.8383 299.3003 -183206.2001 -148846.0070 299.3383 -76.5160 -45.1973 558696.7014 -0.1290 -0.1021 PRESSURE: 2007800 309.841 65.2353 91.9966 65.236 84.217 -28.9369 91.9958 -28.9362 296.411 GPRESSURE: 2007800 321.46 45.0928 81.2887 85.0082 173.427 -38.5483 112.884 -10.1164 297.165 PRESSAVG: 2007800 29.1779 34.0934 -22.8747 34.0935 -47.6064 40.261 -22.8747 40.2611 -55.8193 GPRESSAVG: 2007800 30.1791 33.2891 -21.6273 34.0924 -47.296 37.8048 -23.179 40.9808 -56.4715 TIMING: 2007800 CPU: 5995.63, 0.00297476/step Wall: 5995.63, 0.00297476/step, 2.47252 hours remaining, 207.285156 MB of memory in use. ENERGY: 2007800 739.1533 2129.2304 1936.8699 119.1348 -206220.7966 18172.4919 0.0000 0.0000 34250.3602 -148873.5562 299.1169 -183123.9164 -148777.5904 299.5880 230.1566 264.0172 558400.8352 -24.7493 -24.5295 PRESSURE: 2008000 -64.7225 -85.6479 57.4249 -85.6483 -159 72.132 57.4255 72.1316 -137.22 GPRESSURE: 2008000 -33.0256 -83.3124 68.7634 -120.116 -140.043 167.513 169.626 80.8192 -96.1893 PRESSAVG: 2008000 47.8724 -43.0624 10.4175 -43.0625 10.713 28.9315 10.4175 28.9314 -71.3069 GPRESSAVG: 2008000 47.5845 -41.339 9.59569 -41.0707 11.7643 31.9623 12.3142 25.2924 -72.2129 TIMING: 2008000 CPU: 5996.23, 0.00296932/step Wall: 5996.23, 0.00296932/step, 2.46784 hours remaining, 207.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2008000 752.3736 2080.2640 1926.9154 120.5629 -205664.3848 17640.4592 0.0000 0.0000 34144.3962 -148999.4134 298.1915 -183143.8097 -148904.5644 299.5050 -120.3142 -89.7528 558982.1693 -4.2405 -4.2880 PRESSURE: 2008200 -126.023 -14.2118 87.8494 -14.2125 208.085 30.9366 87.849 30.9373 24.404 GPRESSURE: 2008200 -121.53 -49.6322 19.7116 4.76167 248.964 -59.6792 109.098 61.3181 62.514 PRESSAVG: 2008200 -16.1245 -6.45685 1.27979 -6.45686 -5.08593 19.2629 1.27972 19.2628 -20.7201 GPRESSAVG: 2008200 -16.5586 -9.02884 0.438621 -7.59894 -6.0399 19.4361 1.02041 19.078 -19.482 TIMING: 2008200 CPU: 5996.82, 0.00295442/step Wall: 5996.82, 0.00295442/step, 2.45528 hours remaining, 207.285156 MB of memory in use. ENERGY: 2008200 749.9608 2088.7628 1952.3038 109.7748 -205903.6475 17711.4394 0.0000 0.0000 34171.0582 -149120.3475 298.4244 -183291.4058 -149020.5408 299.3618 35.4889 63.3160 557970.3269 -13.9769 -14.0268 LDB: ============= START OF LOAD BALANCING ============== 6000.36 LDB: ============== END OF LOAD BALANCING =============== 6000.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6000.37 LDB: ============= START OF LOAD BALANCING ============== 6000.67 LDB: Largest compute 4773 load 0.029763 is 25.2% of average load 0.118270 LDB: Average compute 0.001726 is 1.5% of average load 0.118270 LDB: TIME 6000.67 LOAD: AVG 0.11827 MAX 0.205205 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.344 MB LDB: TIME 6000.67 LOAD: AVG 0.11827 MAX 0.205205 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: TIME 6000.67 LOAD: AVG 0.11827 MAX 0.205205 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6000.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6000.67 PRESSURE: 2008400 66.9361 16.4204 21.8927 16.4207 -127.44 -186.475 21.8933 -186.475 -295.404 GPRESSURE: 2008400 32.0788 -143.388 -2.51388 150.48 -77.9565 -157.355 48.2196 -221.45 -219.782 PRESSAVG: 2008400 35.043 -31.4122 70.0786 -31.4122 -73.9062 -25.7111 70.0785 -25.711 -18.5231 GPRESSAVG: 2008400 35.8624 -30.2859 70.7073 -31.5273 -74.4113 -26.6173 69.7741 -24.2449 -19.1841 TIMING: 2008400 CPU: 5997.42, 0.00303828/step Wall: 5997.42, 0.00303827/step, 2.52481 hours remaining, 206.886719 MB of memory in use. ENERGY: 2008400 732.8601 2152.9511 1954.8538 123.2042 -206137.4804 17661.1610 0.0000 0.0000 34245.4171 -149267.0330 299.0737 -183512.4501 -149170.4128 299.1458 -118.6359 -88.5531 558060.6077 -19.1288 -19.2443 PRESSURE: 2008600 99.7324 10.0797 96.3922 10.0807 -80.0317 -31.0794 96.3928 -31.0788 100.77 GPRESSURE: 2008600 169.153 62.3865 129.058 14.9413 -70.1994 -35.9412 52.9039 -16.6318 125.551 PRESSAVG: 2008600 -14.8566 -40.9784 41.8149 -40.9785 34.2457 -75.2387 41.8149 -75.2386 -23.3197 GPRESSAVG: 2008600 -16.093 -40.7674 42.8177 -43.5811 35.576 -75.5297 41.3841 -72.9815 -23.4306 TIMING: 2008600 CPU: 5998.02, 0.00299371/step Wall: 5998.02, 0.00299371/step, 2.48761 hours remaining, 206.886719 MB of memory in use. ENERGY: 2008600 720.1354 2146.1009 1915.5559 105.9884 -206279.2669 17913.8632 0.0000 0.0000 34374.4282 -149103.1949 300.2004 -183477.6231 -149009.8713 299.9437 40.1571 74.8349 557776.4242 -1.3102 -1.3159 PRESSURE: 2008800 151.245 -17.3926 133.54 -17.3928 1.82411 -160.783 133.539 -160.78 11.9895 GPRESSURE: 2008800 135.404 -98.7085 103.973 38.8777 2.8054 -185.391 150.702 -166.563 143.182 PRESSAVG: 2008800 59.7209 33.3873 -8.1115 33.3872 -39.2902 -79.547 -8.11154 -79.5469 18.3707 GPRESSAVG: 2008800 59.8992 33.2415 -8.42684 35.94 -39.8244 -78.2793 -7.22678 -82.0072 18.6214 TIMING: 2008800 CPU: 5998.63, 0.00303531/step Wall: 5998.63, 0.00303531/step, 2.52201 hours remaining, 206.886719 MB of memory in use. ENERGY: 2008800 757.4566 2075.3780 1921.8097 114.8144 -206497.5789 18052.9524 0.0000 0.0000 34275.1960 -149299.9717 299.3338 -183575.1676 -149200.8771 300.0350 55.0194 93.7974 556760.1766 12.9338 12.8987 PRESSURE: 2009000 92.239 37.1013 130.066 37.1019 -54.8894 -186.673 130.066 -186.674 33.5081 GPRESSURE: 2009000 116.226 47.183 97.3305 70.502 -15.6138 -173.377 150.547 -171.907 66.2253 PRESSAVG: 2009000 41.5517 17.0216 5.39957 17.0215 -4.28692 -47.1539 5.39965 -47.1539 -22.8851 GPRESSAVG: 2009000 41.274 18.2236 5.34266 15.3783 -3.86489 -48.4224 5.28223 -45.6111 -22.9836 TIMING: 2009000 CPU: 5999.23, 0.00298439/step Wall: 5999.23, 0.00298439/step, 2.47953 hours remaining, 206.886719 MB of memory in use. ENERGY: 2009000 721.8351 2088.7290 1939.0963 119.4086 -206622.7083 17971.3791 0.0000 0.0000 34489.5098 -149292.7504 301.2055 -183782.2601 -149193.0319 299.9818 23.6192 55.6125 557156.5739 4.7932 4.8085 PRESSURE: 2009200 -41.9291 -39.4763 -6.95814 -39.4772 57.5105 107.547 -6.95769 107.547 -166.982 GPRESSURE: 2009200 -6.41843 14.9102 -13.7643 -117.573 103.339 37.7991 -25.7681 82.5857 -136.102 PRESSAVG: 2009200 85.9824 9.14771 -17.1531 9.14766 -14.9486 -27.1889 -17.1531 -27.1889 -50.6034 GPRESSAVG: 2009200 85.5855 7.53119 -18.454 10.9703 -15.4405 -25.5342 -17.3752 -28.3419 -50.0593 TIMING: 2009200 CPU: 5999.82, 0.0029667/step Wall: 5999.82, 0.0029667/step, 2.46466 hours remaining, 206.886719 MB of memory in use. ENERGY: 2009200 738.2428 2126.7994 1920.0318 110.4232 -206252.1630 17746.4571 0.0000 0.0000 34397.3024 -149212.9062 300.4002 -183610.2086 -149115.4805 299.3209 -50.4667 -13.0605 557899.7685 6.8101 6.6952 PRESSURE: 2009400 32.6358 50.4497 141.014 50.4488 -192.831 21.7849 141.014 21.7851 -104.142 GPRESSURE: 2009400 52.8459 48.8454 61.1195 -19.8715 -151.796 -28.0441 228.56 -59.7322 -73.5624 PRESSAVG: 2009400 83.8866 -8.73168 62.5492 -8.73169 -125.157 19.3476 62.5492 19.3477 40.7332 GPRESSAVG: 2009400 83.5936 -7.40051 62.8906 -10.6419 -124.022 19.5456 61.9647 16.0422 39.6766 TIMING: 2009400 CPU: 6000.41, 0.00297348/step Wall: 6000.41, 0.00297348/step, 2.47014 hours remaining, 206.886719 MB of memory in use. ENERGY: 2009400 752.3142 2120.6896 1943.4034 118.7190 -206235.0339 17752.1278 0.0000 0.0000 34274.6926 -149273.0873 299.3294 -183547.7799 -149176.0162 299.7596 -88.1123 -57.5042 558859.6089 -0.1789 -0.2506 PRESSURE: 2009600 -247.14 4.02305 5.24531 4.0239 -80.2283 -63.1347 5.24423 -63.1346 104.266 GPRESSURE: 2009600 -187.989 -51.2846 61.0584 -10.5651 -38.768 -120.096 -84.033 24.9744 91.013 PRESSAVG: 2009600 11.2014 22.9635 41.9067 22.9635 -77.7962 -38.0214 41.9066 -38.0215 29.6335 GPRESSAVG: 2009600 11.7633 21.0553 45.5274 24.5193 -77.3727 -37.3079 40.0025 -35.4888 28.8123 TIMING: 2009600 CPU: 6001.01, 0.00298451/step Wall: 6001.01, 0.00298451/step, 2.47913 hours remaining, 206.886719 MB of memory in use. ENERGY: 2009600 750.2391 2128.9355 1947.8010 107.6370 -206601.6225 17995.2826 0.0000 0.0000 34220.4107 -149451.3165 298.8554 -183671.7272 -149353.6608 298.5477 -74.3674 -45.2481 559366.3554 -12.3204 -12.2657 PRESSURE: 2009800 281.32 -118.588 -158.621 -118.589 64.3978 -137.603 -158.619 -137.605 67.9945 GPRESSURE: 2009800 359.804 -24.9944 -161.863 -143.93 49.5019 -134.757 -76.6896 -145.937 98.3068 PRESSAVG: 2009800 42.9579 -29.7031 -9.81824 -29.7031 -51.7926 -55.0749 -9.81823 -55.0749 19.8341 GPRESSAVG: 2009800 43.0777 -29.5338 -10.9663 -29.823 -51.8813 -55.0237 -8.86036 -54.0855 19.8573 TIMING: 2009800 CPU: 6001.62, 0.00301758/step Wall: 6001.62, 0.00301758/step, 2.50644 hours remaining, 206.886719 MB of memory in use. ENERGY: 2009800 748.1169 2100.0707 1916.9103 115.2356 -206579.2719 18084.5771 0.0000 0.0000 34219.3758 -149394.9854 298.8463 -183614.3613 -149297.0644 299.3611 137.9042 169.2041 557579.6824 3.6665 3.6846 PRESSURE: 2010000 -0.701108 27.9334 125.884 27.933 151.381 188.743 125.883 188.742 130.085 GPRESSURE: 2010000 45.7513 2.69272 201.978 8.17434 172.949 116.126 175.672 206.833 152.129 PRESSAVG: 2010000 55.9436 -61.4067 -12.7254 -61.4068 -40.4599 -5.35902 -12.7254 -5.35929 29.7419 GPRESSAVG: 2010000 56.6029 -61.6849 -14.7783 -61.6646 -41.6042 -7.28813 -10.4731 -5.21067 31.177 TIMING: 2010000 CPU: 6002.21, 0.00298539/step Wall: 6002.21, 0.00298539/step, 2.47953 hours remaining, 206.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2010000 729.0949 2058.2224 1941.7253 116.4780 -206717.4603 17990.7490 0.0000 0.0000 34176.2232 -149704.9675 298.4695 -183881.1907 -149605.5302 298.8475 93.5885 123.6096 556636.2164 15.0752 15.3919 PRESSURE: 2010200 -165.575 128.634 -27.7439 128.634 -207.572 52.9728 -27.7431 52.9725 -334.883 GPRESSURE: 2010200 -162.505 112.758 -14.6043 120.912 -97.6501 -4.58402 3.88158 30.0293 -347.692 PRESSAVG: 2010200 -39.487 -29.8276 -8.78865 -29.8275 -28.8944 78.8779 -8.78864 78.8779 36.4303 GPRESSAVG: 2010200 -39.2923 -30.0097 -5.72286 -30.7084 -28.526 78.3822 -10.9822 79.0889 35.9834 TIMING: 2010200 CPU: 6002.81, 0.00298532/step Wall: 6002.81, 0.00298532/step, 2.4793 hours remaining, 207.085938 MB of memory in use. ENERGY: 2010200 713.0587 2075.3040 1923.2863 105.8621 -206097.2392 17356.1042 0.0000 0.0000 34244.2141 -149679.4098 299.0632 -183923.6239 -149582.5744 297.6950 -236.0098 -202.6157 558450.3788 -10.6504 -10.6116 PRESSURE: 2010400 -230.594 -120.48 -74.6202 -120.48 8.50538 -37.1645 -74.6195 -37.1631 -321.667 GPRESSURE: 2010400 -164.25 -154.033 -168.26 -19.1939 -28.6761 58.2467 -51.2334 -111.378 -256.364 PRESSAVG: 2010400 -37.4549 89.5996 42.9089 89.5996 55.607 5.46172 42.9089 5.46175 -20.817 GPRESSAVG: 2010400 -37.4317 91.3326 39.803 90.1701 55.4483 5.99444 43.9427 6.83691 -20.13 TIMING: 2010400 CPU: 6003.41, 0.00299852/step Wall: 6003.41, 0.00299852/step, 2.4901 hours remaining, 207.085938 MB of memory in use. ENERGY: 2010400 777.2703 2086.3115 1928.7484 123.7936 -206379.5235 17730.4180 0.0000 0.0000 33995.9356 -149737.0463 296.8950 -183732.9819 -149646.7153 297.9943 -181.2517 -149.7634 559558.1716 -0.8883 -0.7045 PRESSURE: 2010600 90.6497 86.2692 -148.048 86.2679 -122.54 115.827 -148.048 115.826 -106.223 GPRESSURE: 2010600 105.74 113.088 -67.4408 147.008 -39.7184 45.175 -104.053 147.508 -110.716 PRESSAVG: 2010600 33.8248 36.4169 -30.8865 36.417 -7.26558 48.1489 -30.8866 48.149 -10.0265 GPRESSAVG: 2010600 32.536 37.6813 -30.3994 35.946 -6.27178 48.0615 -30.0799 47.7892 -10.2271 TIMING: 2010600 CPU: 6004.01, 0.00299677/step Wall: 6004.01, 0.00299677/step, 2.48849 hours remaining, 207.085938 MB of memory in use. ENERGY: 2010600 783.3448 2090.0811 1936.8183 110.6911 -206407.0582 17871.6353 0.0000 0.0000 33931.0788 -149683.4089 296.3286 -183614.4877 -149583.8640 297.6032 -46.0377 -14.8983 556804.6251 5.5109 5.3457 PRESSURE: 2010800 -67.3172 -8.46487 32.3764 -8.466 -169.026 -100.117 32.3759 -100.116 175.132 GPRESSURE: 2010800 -42.1158 -8.12981 23.0623 -120.872 -120.01 -51.3441 -20.2973 -70.7517 183.829 PRESSAVG: 2010800 82.6984 60.4923 -23.1264 60.4923 -97.253 68.7308 -23.1264 68.7308 33.057 GPRESSAVG: 2010800 84.8284 58.4268 -19.3963 61.0361 -98.0164 68.5241 -25.8572 67.6936 32.3439 TIMING: 2010800 CPU: 6004.6, 0.00294984/step Wall: 6004.6, 0.00294984/step, 2.44935 hours remaining, 207.085938 MB of memory in use. ENERGY: 2010800 746.8184 2075.4354 1922.8191 118.3241 -206643.1622 17689.5396 0.0000 0.0000 34234.8552 -149855.3704 298.9815 -184090.2256 -149767.9525 297.3315 -20.4038 7.2343 555294.6798 6.1675 6.3853 PRESSURE: 2011000 401.118 -56.5598 5.57696 -56.5594 192.471 -24.2553 5.57742 -24.255 37.2873 GPRESSURE: 2011000 423.189 20.6712 -3.16572 -66.863 258.541 -81.8859 -30.568 6.80217 59.7854 PRESSAVG: 2011000 -8.74443 -12.9554 -54.1538 -12.9554 -25.7601 -9.38201 -54.1538 -9.38197 56.4514 GPRESSAVG: 2011000 -10.487 -13.2786 -56.0017 -11.9319 -26.2103 -9.08679 -52.9371 -8.63668 58.2821 TIMING: 2011000 CPU: 6005.2, 0.00299063/step Wall: 6005.2, 0.00299063/step, 2.48305 hours remaining, 207.085938 MB of memory in use. ENERGY: 2011000 734.0482 2035.0241 1913.5887 123.2019 -206654.5428 17968.6367 0.0000 0.0000 34093.0197 -149787.0235 297.7428 -183880.0432 -149692.2914 298.1296 210.2921 247.1718 554658.5271 7.3156 7.1949 PRESSURE: 2011200 42.6718 1.06622 56.2468 1.06595 118.802 1.25398 56.2468 1.25529 -200.789 GPRESSURE: 2011200 98.3934 35.7604 75.3468 11.4362 73.3752 20.1752 34.6646 -36.5729 -118.185 PRESSAVG: 2011200 -12.372 4.02013 18.651 4.02 2.96079 -22.1822 18.651 -22.1823 -13.738 GPRESSAVG: 2011200 -11.3121 4.28209 18.9812 4.04131 2.51609 -21.6332 17.4088 -20.4088 -14.206 TIMING: 2011200 CPU: 6005.8, 0.00299844/step Wall: 6005.8, 0.00299844/step, 2.48937 hours remaining, 207.085938 MB of memory in use. ENERGY: 2011200 748.2882 2079.2983 1903.5173 111.0519 -206686.8031 17698.9881 0.0000 0.0000 34317.2443 -149828.4149 299.7010 -184145.6592 -149732.8883 297.8696 -13.1053 17.8613 555076.7307 -7.7164 -7.6673 PRESSURE: 2011400 -256.568 -96.9264 -82.5397 -96.9248 -124.965 -56.4204 -82.5395 -56.4197 206.278 GPRESSURE: 2011400 -241.251 35.5932 -110.989 -134.539 -36.1234 -28.3668 10.4623 -94.8332 196.617 PRESSAVG: 2011400 -54.5148 33.528 -12.3767 33.5281 26.276 -29.3409 -12.3768 -29.341 -6.90508 GPRESSAVG: 2011400 -53.4782 34.4843 -12.5094 31.3145 26.8151 -31.7371 -10.3473 -29.2113 -8.54675 TIMING: 2011400 CPU: 6006.39, 0.00296997/step Wall: 6006.39, 0.00296997/step, 2.46557 hours remaining, 207.085938 MB of memory in use. ENERGY: 2011400 766.2211 2068.8799 1920.5831 112.4132 -206781.1135 17803.1453 0.0000 0.0000 34247.2125 -149862.6584 299.0894 -184109.8709 -149763.5591 297.9299 -58.4183 -26.9193 554634.1461 -11.7146 -11.7366 PRESSURE: 2011600 -214.213 25.5496 31.7073 25.5482 -138.954 -38.4935 31.7078 -38.4947 163.943 GPRESSURE: 2011600 -227.414 97.3437 -20.1335 0.392551 -46.716 -32.2386 51.4426 -104.109 195.48 PRESSAVG: 2011600 -11.0549 -21.5536 -5.86788 -21.5537 6.3349 -68.5109 -5.86786 -68.5109 -27.8985 GPRESSAVG: 2011600 -13.013 -20.5751 -5.22015 -19.2319 7.05056 -67.8847 -6.46183 -69.2196 -26.1886 TIMING: 2011600 CPU: 6006.98, 0.00296343/step Wall: 6006.98, 0.00296343/step, 2.45998 hours remaining, 207.085938 MB of memory in use. ENERGY: 2011600 730.8974 2075.3308 1932.6524 114.0015 -206423.7847 17756.9598 0.0000 0.0000 34098.1983 -149715.7446 297.7880 -183813.9429 -149632.6810 298.0740 -63.0745 -26.2164 555180.4836 -10.8728 -10.7170 PRESSURE: 2011800 18.9991 -31.9867 29.1704 -31.9853 223.179 58.3323 29.1704 58.3328 109.488 GPRESSURE: 2011800 12.8549 22.351 -2.2966 -40.2431 265.764 155.474 77.6232 8.9671 172.061 PRESSAVG: 2011800 -6.78588 -24.5566 34.5291 -24.5566 -43.9472 -28.3668 34.5291 -28.3668 49.9598 GPRESSAVG: 2011800 -5.43121 -25.9361 31.8711 -25.5975 -44.191 -29.072 34.8219 -28.7002 48.6632 TIMING: 2011800 CPU: 6007.58, 0.00296827/step Wall: 6007.58, 0.00296827/step, 2.46383 hours remaining, 207.085938 MB of memory in use. ENERGY: 2011800 749.1547 2109.3659 1915.6389 113.4358 -206977.4568 18158.7082 0.0000 0.0000 34083.3356 -149847.8177 297.6582 -183931.1533 -149749.9804 297.8389 117.2220 150.2266 555449.1816 -0.2578 -0.3197 PRESSURE: 2012000 191.909 23.6601 10.8919 23.6599 279.224 149.278 10.8913 149.277 170.968 GPRESSURE: 2012000 262.161 -61.4019 -18.162 135.508 277.288 208.599 15.8299 140.949 185.334 PRESSAVG: 2012000 6.96253 -33.1605 16.0125 -33.1606 12.7896 66.6078 16.0125 66.6078 -21.0686 GPRESSAVG: 2012000 6.09162 -33.2276 18.9032 -31.7058 14.0005 67.3573 12.4857 65.9997 -21.2964 TIMING: 2012000 CPU: 6008.18, 0.00299671/step Wall: 6008.18, 0.00299671/step, 2.48727 hours remaining, 207.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2012000 714.4860 2064.6253 1930.5879 108.8375 -206973.7434 18301.4212 0.0000 0.0000 34069.6905 -149784.0950 297.5391 -183853.7855 -149690.6334 297.4886 214.0335 241.5943 555088.0464 -0.4388 -0.4014 PRESSURE: 2012200 300.82 24.3366 155.302 24.3359 -3.9438 91.5613 155.301 91.5622 230.371 GPRESSURE: 2012200 261.278 76.5224 215.008 2.54987 91.0139 115.88 96.5897 164.27 281.159 PRESSAVG: 2012200 3.56823 17.1495 31.9008 17.1495 -5.64862 37.7945 31.9007 37.7945 9.53944 GPRESSAVG: 2012200 3.83923 17.6191 28.6885 15.4482 -7.72639 38.4355 35.6599 38.0566 11.568 TIMING: 2012200 CPU: 6008.78, 0.00300005/step Wall: 6008.78, 0.00300005/step, 2.48988 hours remaining, 207.085938 MB of memory in use. ENERGY: 2012200 711.9803 2040.1276 1932.2012 106.0658 -206987.4988 18045.4272 0.0000 0.0000 34267.6529 -149884.0437 299.2679 -184151.6966 -149779.8271 297.7399 175.7492 211.1503 554545.3969 2.4863 2.5603 LDB: ============= START OF LOAD BALANCING ============== 6012.32 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6012.32 LDB: =============== DONE WITH MIGRATION ================ 6012.32 LDB: ============= START OF LOAD BALANCING ============== 6012.62 LDB: Largest compute 4773 load 0.030594 is 25.9% of average load 0.118110 LDB: Average compute 0.001726 is 1.5% of average load 0.118110 LDB: TIME 6012.63 LOAD: AVG 0.11811 MAX 0.202301 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.344 MB LDB: TIME 6012.63 LOAD: AVG 0.11811 MAX 0.202301 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.375 MB LDB: TIME 6012.63 LOAD: AVG 0.11811 MAX 0.202301 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.375 MB LDB: ============== END OF LOAD BALANCING =============== 6012.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6012.63 PRESSURE: 2012400 70.9866 -45.9675 20.2405 -45.9667 241.961 -98.9764 20.2406 -98.975 7.38832 GPRESSURE: 2012400 82.672 -101.021 -47.2741 -15.9449 269.871 -173.917 71.1765 -133.27 69.28 PRESSAVG: 2012400 -41.6326 -22.9618 37.2754 -22.9617 62.4312 -5.16577 37.2753 -5.1658 -6.67419 GPRESSAVG: 2012400 -42.0059 -23.5804 37.6852 -21.5714 63.3767 -6.11404 36.1399 -3.74023 -6.85186 TIMING: 2012400 CPU: 6009.38, 0.00303973/step Wall: 6009.38, 0.00303973/step, 2.52264 hours remaining, 207.085938 MB of memory in use. ENERGY: 2012400 763.5548 2118.7396 1939.2798 121.4590 -206465.9264 18048.7747 0.0000 0.0000 34095.2969 -149378.8217 297.7627 -183474.1186 -149287.1045 298.8998 106.7786 140.6076 556832.6024 4.7081 4.8396 PRESSURE: 2012600 -444.71 -121.414 117.383 -121.414 -182.878 -43.3316 117.383 -43.3297 -69.1611 GPRESSURE: 2012600 -433.618 -151.214 150.548 -127.537 -161.286 -92.9464 75.122 38.6942 4.30837 PRESSAVG: 2012600 -117.661 -8.92905 -11.2397 -8.92906 36.5058 -47.1845 -11.2396 -47.1845 20.2726 GPRESSAVG: 2012600 -117.214 -9.32004 -10.4804 -9.58907 35.9885 -46.9533 -10.6851 -48.7874 20.1965 TIMING: 2012600 CPU: 6009.99, 0.00301822/step Wall: 6009.99, 0.00301822/step, 2.50462 hours remaining, 207.285156 MB of memory in use. ENERGY: 2012600 763.6584 2043.4771 1903.5649 109.2191 -206136.9223 17659.4441 0.0000 0.0000 34211.6322 -149445.9266 298.7787 -183657.5587 -149345.0694 299.1790 -232.2499 -196.8651 557654.4199 -20.2943 -20.3429 PRESSURE: 2012800 -34.6187 -22.7157 22.1094 -22.7149 -210.934 -161.024 22.1079 -161.026 74.6864 GPRESSURE: 2012800 8.85485 31.1928 -14.5311 -26.2436 -194.312 -162.073 -0.800833 -140.646 113.684 PRESSAVG: 2012800 -42.6768 24.9532 -61.3248 24.953 36.8053 35.2426 -61.3249 35.2426 5.24993 GPRESSAVG: 2012800 -42.6992 25.6974 -61.0752 26.308 37.1109 33.4923 -62.312 34.8404 4.65426 TIMING: 2012800 CPU: 6010.59, 0.00303563/step Wall: 6010.59, 0.00303563/step, 2.5189 hours remaining, 207.285156 MB of memory in use. ENERGY: 2012800 741.8179 2120.6063 1946.0006 110.1055 -206203.2923 17669.5108 0.0000 0.0000 34259.7043 -149355.5468 299.1985 -183615.2512 -149259.9400 298.9331 -56.9554 -23.9244 556502.8346 -0.2072 -0.3113 PRESSURE: 2013000 -364.266 15.3048 -118.996 15.3048 -149.453 104.54 -118.996 104.539 108.652 GPRESSURE: 2013000 -314.124 49.5024 -70.1599 26.4702 -120.5 111.023 -125.697 129.627 113.121 PRESSAVG: 2013000 -76.5225 5.43722 -16.2086 5.43715 90.6032 -77.568 -16.2085 -77.5679 17.0057 GPRESSAVG: 2013000 -76.5558 5.51023 -15.5899 5.2778 91.2355 -74.8639 -17.9362 -77.3699 16.6551 TIMING: 2013000 CPU: 6011.2, 0.00300606/step Wall: 6011.2, 0.00300606/step, 2.49419 hours remaining, 207.371094 MB of memory in use. ENERGY: 2013000 706.8869 2039.2463 1962.1633 124.2094 -205787.0528 17305.5032 0.0000 0.0000 34333.1413 -149315.9024 299.8399 -183649.0437 -149226.2701 299.6961 -135.0225 -107.1676 556663.6126 10.3621 10.4449 PRESSURE: 2013200 176.006 -28.5588 12.3159 -28.5595 -52.618 93.178 12.3159 93.1762 -85.6705 GPRESSURE: 2013200 184.981 -23.9418 120.293 -6.60286 -50.2369 92.3725 -81.7287 66.1966 3.05739 PRESSAVG: 2013200 8.44505 32.1583 8.96614 32.1583 -37.6335 -4.62803 8.96613 -4.62798 59.4963 GPRESSAVG: 2013200 8.93599 31.0376 8.89768 33.9331 -37.0281 -4.31301 8.8045 -4.23974 58.7733 TIMING: 2013200 CPU: 6011.8, 0.00302215/step Wall: 6011.8, 0.00302215/step, 2.50737 hours remaining, 207.371094 MB of memory in use. ENERGY: 2013200 734.4230 2111.9664 1927.4565 111.4022 -206167.4109 17662.5832 0.0000 0.0000 34340.2666 -149279.3130 299.9021 -183619.5796 -149183.6772 299.7952 12.5725 45.9337 555892.8525 10.1026 10.2271 PRESSURE: 2013400 -143.048 193.064 30.2204 193.063 152.354 -127.655 30.2204 -127.654 -93.0555 GPRESSURE: 2013400 -80.5742 128.852 22.9635 226.066 195.559 -54.812 52.6248 -133.612 -87.9719 PRESSAVG: 2013400 -18.2268 4.44693 20.2219 4.44691 -21.7387 12.1882 20.222 12.1881 -13.7173 GPRESSAVG: 2013400 -17.6417 3.42216 19.8812 2.33229 -22.3235 9.86319 22.1903 13.9988 -13.8362 TIMING: 2013400 CPU: 6012.4, 0.00301391/step Wall: 6012.4, 0.00301391/step, 2.50037 hours remaining, 207.371094 MB of memory in use. ENERGY: 2013400 762.7391 2045.7977 1940.5268 101.9898 -206444.3613 17813.8213 0.0000 0.0000 34520.8363 -149258.6503 301.4790 -183779.4866 -149158.4779 299.9223 -27.9166 9.0043 557047.8907 -17.8943 -17.9338 PRESSURE: 2013600 91.9112 101.845 -30.5565 101.845 -206.023 -75.2623 -30.5574 -75.2635 -216.116 GPRESSURE: 2013600 137.593 197.599 11.8713 9.82464 -201.683 -115.16 -8.12203 -106.071 -172.663 PRESSAVG: 2013600 -7.78612 16.0489 -8.74458 16.049 85.2078 -3.9009 -8.74457 -3.90096 -25.462 GPRESSAVG: 2013600 -8.75023 18.7172 -8.69812 16.4385 84.6053 -1.79465 -11.1295 -6.57094 -24.2256 TIMING: 2013600 CPU: 6013, 0.00299505/step Wall: 6013, 0.00299505/step, 2.48456 hours remaining, 207.371094 MB of memory in use. ENERGY: 2013600 767.9054 2069.1460 1924.7140 112.0804 -205999.9619 17734.0277 0.0000 0.0000 34100.8258 -149291.2626 297.8110 -183392.0884 -149194.0434 299.7672 -110.0760 -78.9176 558222.3633 17.3199 17.2098 PRESSURE: 2013800 430.498 23.3319 -44.6103 23.3308 413.24 114.306 -44.6115 114.306 116.836 GPRESSURE: 2013800 478.074 13.8941 -3.61023 14.8517 402.525 57.2433 33.2274 140.11 187.041 PRESSAVG: 2013800 45.2135 55.2654 -41.2752 55.2654 -45.7058 28.5599 -41.2752 28.56 27.3841 GPRESSAVG: 2013800 45.4233 54.1964 -42.158 55.7844 -44.0441 29.7515 -38.9943 27.9619 25.8233 TIMING: 2013800 CPU: 6013.6, 0.00298656/step Wall: 6013.6, 0.00298656/step, 2.47735 hours remaining, 207.613281 MB of memory in use. ENERGY: 2013800 698.7059 2096.5479 1932.3685 122.8654 -206325.9977 18054.5968 0.0000 0.0000 34341.2441 -149079.6691 299.9106 -183420.9132 -148984.3522 298.7987 320.1912 355.8798 555368.6692 8.9639 9.0675 PRESSURE: 2014000 -325.66 129.758 38.2628 129.757 -262.58 1.61126 38.2631 1.60947 -144.099 GPRESSURE: 2014000 -224.532 54.6074 27.7095 151.926 -254.943 42.1809 112.146 26.991 -147.276 PRESSAVG: 2014000 -66.7119 30.5786 -20.3974 30.5785 36.0102 40.6058 -20.3975 40.6057 4.46467 GPRESSAVG: 2014000 -66.9194 31.1467 -20.2493 29.2242 34.995 40.4513 -19.6568 41.2457 5.52104 TIMING: 2014000 CPU: 6014.19, 0.00296534/step Wall: 6014.19, 0.00296534/step, 2.45959 hours remaining, 207.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2014000 717.2948 2039.0791 1941.5978 95.9587 -205652.4087 17463.1038 0.0000 0.0000 34445.2676 -148950.1068 300.8191 -183395.3744 -148853.7512 300.0649 -244.1132 -208.9170 559394.3703 -8.7457 -8.8011 PRESSURE: 2014200 137.831 68.4128 9.29905 68.4131 78.9547 2.33826 9.29739 2.33841 163.361 GPRESSURE: 2014200 104.43 72.6673 104.875 -2.36921 161.653 -21.4557 -3.57719 -31.1372 203.22 PRESSAVG: 2014200 -33.859 -1.18554 33.9021 -1.18552 5.35311 23.0785 33.9021 23.0785 22.8232 GPRESSAVG: 2014200 -33.5556 -3.23023 34.1159 0.474122 5.94466 23.814 33.3311 22.9336 21.1566 TIMING: 2014200 CPU: 6014.79, 0.00298537/step Wall: 6014.79, 0.00298537/step, 2.47604 hours remaining, 207.613281 MB of memory in use. ENERGY: 2014200 730.3042 2104.8754 1933.3166 103.0253 -206081.8239 17803.6799 0.0000 0.0000 34375.7532 -149030.8693 300.2120 -183406.6225 -148934.8565 300.3145 126.7156 156.4345 557070.8468 -1.8942 -2.1514 PRESSURE: 2014400 -6.67794 -18.8635 -41.8043 -18.8627 -64.2512 89.4056 -41.8047 89.4048 189.583 GPRESSURE: 2014400 41.3956 37.9294 33.4606 -25.3101 -54.211 104.024 -81.6319 79.6385 232.292 PRESSAVG: 2014400 -18.0974 -1.52547 -38.9293 -1.52547 3.94377 8.60133 -38.9293 8.60128 35.818 GPRESSAVG: 2014400 -19.8503 1.61123 -39.7445 -2.78709 4.07125 5.54533 -36.786 9.85936 37.6337 TIMING: 2014400 CPU: 6015.38, 0.00297326/step Wall: 6015.38, 0.00297326/step, 2.46582 hours remaining, 207.613281 MB of memory in use. ENERGY: 2014400 721.1063 2090.3384 1940.3915 106.6052 -206159.0460 17812.3475 0.0000 0.0000 34391.1357 -149097.1213 300.3463 -183488.2570 -148999.5262 300.2918 39.5512 73.1588 557039.3192 7.2215 7.2849 PRESSURE: 2014600 -111.784 90.2745 -84.1376 90.2735 -151.785 -76.9155 -84.1384 -76.9141 -12.2136 GPRESSURE: 2014600 -118.824 111.803 -140.386 37.1402 -138.972 -67.162 -75.1587 -94.9956 87.5902 PRESSAVG: 2014600 8.14668 -44.8908 -44.0641 -44.891 -65.4397 57.6099 -44.064 57.6101 60.5235 GPRESSAVG: 2014600 9.29205 -47.287 -43.9422 -43.5318 -65.3967 57.8124 -45.0813 57.8187 59.9537 TIMING: 2014600 CPU: 6015.98, 0.00296767/step Wall: 6015.98, 0.00296767/step, 2.46102 hours remaining, 207.613281 MB of memory in use. ENERGY: 2014600 765.9562 2075.5865 1929.8924 117.9743 -206290.8549 17742.8860 0.0000 0.0000 34480.9076 -149177.6520 301.1303 -183658.5596 -149081.1702 299.9813 -91.9275 -56.7355 556461.9027 1.0768 1.2830 PRESSURE: 2014800 100.773 -32.8466 -42.9591 -32.8458 -267.961 7.02297 -42.9594 7.02256 241.765 GPRESSURE: 2014800 143.553 -42.882 -53.2146 9.17791 -267.827 -6.68872 44.1419 48.3992 303.206 PRESSAVG: 2014800 -9.99446 -37.5332 -27.1039 -37.5331 -43.0406 36.1773 -27.104 36.1772 49.0365 GPRESSAVG: 2014800 -8.9113 -35.8985 -25.797 -37.8925 -42.4171 36.5474 -27.8019 38.721 47.8304 TIMING: 2014800 CPU: 6016.57, 0.00297775/step Wall: 6016.57, 0.00297775/step, 2.46922 hours remaining, 207.613281 MB of memory in use. ENERGY: 2014800 727.8981 2126.9005 1934.0707 108.3852 -206176.7306 17792.9817 0.0000 0.0000 34435.8556 -149050.6387 300.7369 -183486.4943 -148948.5770 299.6943 24.8589 59.6442 556845.5058 -1.3328 -1.1660 PRESSURE: 2015000 -166.974 87.8899 -81.9104 87.8906 -177.606 207.592 -81.909 207.592 -62.6413 GPRESSURE: 2015000 -137.923 35.2715 -66.7455 80.0918 -94.1689 186.313 -39.3886 257.782 -71.7459 PRESSAVG: 2015000 34.2677 -12.6636 -48.804 -12.6636 -30.18 -18.0489 -48.804 -18.0488 -82.3194 GPRESSAVG: 2015000 33.8743 -13.5904 -49.9558 -13.1605 -30.5764 -16.6858 -48.6292 -19.5992 -81.4369 TIMING: 2015000 CPU: 6017.17, 0.00296691/step Wall: 6017.17, 0.00296691/step, 2.46006 hours remaining, 207.613281 MB of memory in use. ENERGY: 2015000 781.6308 2087.3418 1963.7652 111.6219 -206364.2967 17851.2732 0.0000 0.0000 34470.3184 -149098.3454 301.0379 -183568.6638 -149005.4158 299.1253 -135.7404 -101.2793 558233.2616 -26.0773 -26.0463 PRESSURE: 2015200 -126.093 22.4301 28.7431 22.4312 -121.469 -58.4415 28.7424 -58.4413 5.0727 GPRESSURE: 2015200 -27.0255 44.2004 53.9455 162.96 -105.843 -89.2712 61.9691 -62.2205 -14.6261 PRESSAVG: 2015200 -77.0276 -63.9969 5.05082 -63.9968 55.9797 -42.3793 5.05086 -42.3793 18.8575 GPRESSAVG: 2015200 -78.2775 -62.7806 3.93845 -62.83 57.5313 -43.2715 6.58031 -43.4676 18.6489 TIMING: 2015200 CPU: 6017.76, 0.0029843/step Wall: 6017.76, 0.0029843/step, 2.47432 hours remaining, 207.613281 MB of memory in use. ENERGY: 2015200 748.8259 2122.1111 1961.0085 118.2357 -206188.5462 17748.4267 0.0000 0.0000 34346.7871 -149143.1512 299.9590 -183489.9383 -149038.9862 299.7344 -80.8298 -49.1648 559584.6378 -0.7301 -0.6991 PRESSURE: 2015400 114.844 -0.621954 43.6339 -0.622145 53.6867 13.6076 43.6344 13.6074 39.6487 GPRESSURE: 2015400 138.13 37.3783 84.548 1.78091 74.8857 79.3021 120.505 12.8252 98.3665 PRESSAVG: 2015400 -17.4887 -12.2497 25.1864 -12.2497 -14.1371 -26.9914 25.1865 -26.9914 23.2522 GPRESSAVG: 2015400 -18.0877 -11.6319 27.1835 -12.2823 -15.2684 -26.5129 23.5891 -26.8432 24.5124 TIMING: 2015400 CPU: 6018.37, 0.00301096/step Wall: 6018.37, 0.00301096/step, 2.49625 hours remaining, 207.613281 MB of memory in use. ENERGY: 2015400 737.3658 2178.7682 1894.6077 112.9832 -206506.6305 18186.6126 0.0000 0.0000 34206.7881 -149189.5049 298.7364 -183396.2930 -149096.9212 298.8631 69.3930 103.7941 559891.4458 -2.7912 -2.9479 PRESSURE: 2015600 -142.248 -56.007 -9.06803 -56.0045 -187.417 36.6283 -9.06803 36.629 -19.6831 GPRESSURE: 2015600 -74.6486 -11.2469 -68.5755 -130.747 -153.066 56.1454 -18.3417 65.4214 -19.1844 PRESSAVG: 2015600 -16.2128 14.1336 25.0705 14.1336 4.33671 82.2239 25.0706 82.2239 25.5479 GPRESSAVG: 2015600 -16.7674 13.3332 25.6446 12.6859 5.27374 82.836 24.5187 83.9886 24.6835 TIMING: 2015600 CPU: 6018.97, 0.00299799/step Wall: 6018.97, 0.00299799/step, 2.48533 hours remaining, 207.613281 MB of memory in use. ENERGY: 2015600 735.8254 2065.1503 1921.4648 119.3748 -205879.2897 17630.5835 0.0000 0.0000 34090.1035 -149316.7875 297.7174 -183406.8910 -149236.8142 297.9536 -116.4494 -82.2997 558580.7159 4.5573 4.3966 PRESSURE: 2015800 123.49 -54.4223 11.7397 -54.422 -164.892 84.5229 11.74 84.522 -4.16256 GPRESSURE: 2015800 134.512 -141.641 3.70504 -50.8493 -93.9868 92.2175 -2.06804 68.6888 13.4851 PRESSAVG: 2015800 53.7908 4.90669 -16.8247 4.90661 4.0218 -31.9066 -16.8247 -31.9066 -39.0295 GPRESSAVG: 2015800 54.7626 4.038 -17.3471 5.77303 3.65783 -32.829 -18.4004 -34.1794 -39.6928 TIMING: 2015800 CPU: 6019.56, 0.00299259/step Wall: 6019.56, 0.00299259/step, 2.48069 hours remaining, 207.613281 MB of memory in use. ENERGY: 2015800 766.4649 2075.2895 1930.4981 128.5083 -206293.0667 17918.9668 0.0000 0.0000 34161.1343 -149312.2048 298.3377 -183473.3391 -149210.5744 298.6226 -15.1884 18.0035 558072.8253 6.2610 6.2426 PRESSURE: 2016000 -88.4859 191.132 -79.2268 191.131 22.6498 -4.80376 -79.2257 -4.80414 -19.954 GPRESSURE: 2016000 -68.951 106.285 -108.771 156.085 36.8075 -20.7603 -138.719 -34.0372 37.7694 PRESSAVG: 2016000 -10.309 50.7492 0.327984 50.7491 5.23053 19.0603 0.327953 19.0604 7.25919 GPRESSAVG: 2016000 -11.6282 53.1803 0.0959482 49.4258 5.12495 19.5172 1.57677 19.201 8.93427 TIMING: 2016000 CPU: 6020.16, 0.00298893/step Wall: 6020.16, 0.00298893/step, 2.47749 hours remaining, 207.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2016000 715.4620 2008.2958 1932.0204 116.9464 -206140.6110 17830.3262 0.0000 0.0000 34380.7503 -149156.8097 300.2556 -183537.5601 -149057.3519 299.2380 -28.5967 1.8753 559184.9964 0.7269 0.8103 PRESSURE: 2016200 -33.4776 -78.3462 142.547 -78.3456 -226.022 44.3745 142.548 44.3733 141.473 GPRESSURE: 2016200 -22.7411 -23.6844 146.451 -57.8057 -178.378 104.478 165.101 24.1825 183.883 PRESSAVG: 2016200 -1.26834 -2.91589 -32.3566 -2.91586 -77.1716 -32.0768 -32.3565 -32.0767 67.2706 GPRESSAVG: 2016200 -0.779088 -4.00457 -32.0065 0.0862731 -77.5703 -32.8261 -32.672 -30.5448 67.6923 TIMING: 2016200 CPU: 6020.75, 0.00295516/step Wall: 6020.75, 0.00295516/step, 2.44934 hours remaining, 207.613281 MB of memory in use. ENERGY: 2016200 751.5828 2121.6803 1935.4617 109.8677 -206367.1524 17919.0301 0.0000 0.0000 34202.2863 -149327.2436 298.6971 -183529.5299 -149232.6814 299.3405 -39.3424 -5.7453 557809.1295 -3.7231 -3.5524 LDB: ============= START OF LOAD BALANCING ============== 6024.3 LDB: ============== END OF LOAD BALANCING =============== 6024.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6024.31 LDB: ============= START OF LOAD BALANCING ============== 6024.61 LDB: Largest compute 4773 load 0.031837 is 26.9% of average load 0.118184 LDB: Average compute 0.001723 is 1.5% of average load 0.118184 LDB: TIME 6024.61 LOAD: AVG 0.118184 MAX 0.205522 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.559 MB LDB: TIME 6024.61 LOAD: AVG 0.118184 MAX 0.205522 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.762 MB LDB: TIME 6024.61 LOAD: AVG 0.118184 MAX 0.205522 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6024.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6024.62 PRESSURE: 2016400 -87.0436 49.2984 -14.0277 49.2979 241.337 -80.451 -14.0281 -80.4505 51.9979 GPRESSURE: 2016400 -19.5148 53.7299 -45.6465 -63.6946 259.882 -126.421 -16.6501 -1.29181 63.718 PRESSAVG: 2016400 28.2363 -30.5279 -49.6748 -30.5278 35.5484 15.5177 -49.6748 15.5177 -37.7697 GPRESSAVG: 2016400 28.3587 -32.2355 -50.0569 -33.659 36.366 16.0679 -49.7943 14.175 -38.7818 TIMING: 2016400 CPU: 6021.37, 0.0030701/step Wall: 6021.37, 0.0030701/step, 2.54443 hours remaining, 206.796875 MB of memory in use. ENERGY: 2016400 708.9301 2073.7386 1952.1927 110.7559 -206288.3059 17904.1762 0.0000 0.0000 34226.2735 -149312.2389 298.9066 -183538.5124 -149209.7211 298.8220 68.7639 101.3617 556376.6277 8.6716 8.6476 PRESSURE: 2016600 110.839 218.182 -70.1274 218.182 0.00148517 -117.464 -70.1281 -117.462 286.415 GPRESSURE: 2016600 162.791 201.623 -71.4297 200.295 -23.0901 -135.531 2.96935 -110.141 354.594 PRESSAVG: 2016600 -25.5507 -40.1888 -40.0108 -40.1888 -26.1466 -2.319 -40.0107 -2.31892 42.374 GPRESSAVG: 2016600 -25.4938 -37.5865 -40.7828 -40.7826 -25.4764 -2.89566 -39.2596 -0.975236 41.7219 TIMING: 2016600 CPU: 6021.97, 0.00299283/step Wall: 6021.97, 0.00299283/step, 2.48023 hours remaining, 206.796875 MB of memory in use. ENERGY: 2016600 734.3505 2056.1658 1940.2627 117.8584 -206625.0410 18116.3460 0.0000 0.0000 34433.7710 -149226.2867 300.7187 -183660.0577 -149123.9746 298.6759 132.4183 164.7649 556431.1545 -3.1078 -3.0828 PRESSURE: 2016800 -380.462 24.68 -70.3839 24.68 -71.2089 -6.86415 -70.383 -6.86326 -155.023 GPRESSURE: 2016800 -332.245 -35.8281 -59.8823 80.3039 -74.1656 -57.6561 -79.8172 -17.7088 -109.388 PRESSAVG: 2016800 -36.2788 9.07881 -47.4765 9.07888 -3.5475 28.1586 -47.4764 28.1587 2.9216 GPRESSAVG: 2016800 -36.9447 8.02719 -47.3062 10.423 -4.12445 27.6664 -47.0003 27.2295 3.27487 TIMING: 2016800 CPU: 6022.56, 0.00298904/step Wall: 6022.56, 0.00298904/step, 2.47692 hours remaining, 206.796875 MB of memory in use. ENERGY: 2016800 773.8740 2109.3510 1938.8509 114.7724 -205906.8792 17611.5642 0.0000 0.0000 34173.7002 -149184.7665 298.4474 -183358.4667 -149092.3210 299.1507 -202.2314 -171.9327 558039.6038 -12.3016 -12.5981 PRESSURE: 2017000 -76.434 85.6878 18.8711 85.6884 -196.951 179.109 18.8713 179.108 -177.005 GPRESSURE: 2017000 -64.5492 135.149 -44.6286 49.3249 -142.916 65.7052 85.7274 211.841 -152.021 PRESSAVG: 2017000 1.77501 40.2282 9.12477 40.2283 -0.854748 33.5087 9.12478 33.5087 16.8578 GPRESSAVG: 2017000 1.47233 38.7457 10.4636 41.8581 -1.7378 32.6339 8.20158 34.1229 17.6013 TIMING: 2017000 CPU: 6023.15, 0.00295336/step Wall: 6023.15, 0.00295336/step, 2.44719 hours remaining, 206.796875 MB of memory in use. ENERGY: 2017000 749.6092 2048.8467 1975.3683 113.2960 -206276.9540 17746.3273 0.0000 0.0000 34413.2810 -149230.2254 300.5397 -183643.5064 -149128.3421 299.4531 -150.1300 -119.8290 558164.3472 5.9260 5.7786 PRESSURE: 2017200 -215.513 -52.9803 50.1772 -52.9799 -252.007 93.5458 50.1763 93.547 -241.499 GPRESSURE: 2017200 -227.032 -83.9263 46.9585 -65.1836 -187.485 50.2442 -46.7783 162.385 -201.759 PRESSAVG: 2017200 -5.00325 96.6651 -39.4598 96.6651 37.7471 7.28662 -39.4597 7.28661 -6.04197 GPRESSAVG: 2017200 -4.72129 99.196 -40.5715 95.0596 37.8748 9.22911 -37.3973 7.36242 -6.3587 TIMING: 2017200 CPU: 6023.75, 0.00296249/step Wall: 6023.75, 0.00296249/step, 2.45458 hours remaining, 206.796875 MB of memory in use. ENERGY: 2017200 777.3251 2100.2271 1953.4599 108.7464 -205773.9522 17590.1876 0.0000 0.0000 34113.6154 -149130.3906 297.9227 -183244.0061 -149037.1396 299.1107 -236.3398 -205.4253 558911.5674 8.9006 8.9316 PRESSURE: 2017400 -106.392 49.0802 18.5182 49.0795 -14.7289 194.498 18.5184 194.499 -96.1609 GPRESSURE: 2017400 -78.5422 78.5387 -1.41975 84.826 21.3309 181.406 -20.8029 164.617 -70.3401 PRESSAVG: 2017400 -24.7345 39.906 20.7679 39.906 7.02891 2.78246 20.7679 2.78252 7.90467 GPRESSAVG: 2017400 -23.8946 39.2905 20.8204 39.2346 6.67855 3.16304 21.5111 1.66954 7.4393 TIMING: 2017400 CPU: 6024.35, 0.00299989/step Wall: 6024.35, 0.00299989/step, 2.48541 hours remaining, 206.796875 MB of memory in use. ENERGY: 2017400 728.7483 2097.8393 1954.5454 116.2895 -206123.0854 17699.8923 0.0000 0.0000 34485.0717 -149040.6988 301.1667 -183525.7705 -148948.1583 299.8672 -72.4274 -42.5171 557552.2412 -3.2670 -3.2589 PRESSURE: 2017600 -46.079 30.4237 52.1663 30.4251 85.4026 -10.5063 52.1662 -10.5064 17.0468 GPRESSURE: 2017600 -54.327 66.3961 30.0366 3.41196 118.462 9.53236 -25.4429 22.9949 94.036 PRESSAVG: 2017600 13.9387 53.5686 -13.3039 53.5686 -19.812 6.43898 -13.304 6.43911 15.1836 GPRESSAVG: 2017600 12.9512 54.6795 -12.3029 52.9436 -18.9714 5.46847 -16.2678 7.18373 14.9636 TIMING: 2017600 CPU: 6024.95, 0.00301132/step Wall: 6024.95, 0.00301132/step, 2.49471 hours remaining, 206.796875 MB of memory in use. ENERGY: 2017600 772.8285 2073.0075 1961.4017 116.6237 -206260.0187 17869.2622 0.0000 0.0000 34345.0073 -149121.8879 299.9435 -183466.8951 -149027.7021 299.4977 18.7901 52.7236 557444.3507 3.1034 2.9812 PRESSURE: 2017800 -49.0038 -20.6022 11.2492 -20.6025 -5.88347 -71.0279 11.2495 -71.0267 -89.7515 GPRESSURE: 2017800 22.9011 -50.7025 113.083 42.1105 39.63 -144.365 -34.4206 -5.64092 -125.65 PRESSAVG: 2017800 36.0504 13.0817 -11.1701 13.0816 30.4304 23.1225 -11.17 23.1226 -112.655 GPRESSAVG: 2017800 36.0816 12.0992 -12.1298 13.9621 29.3371 22.3968 -10.4043 24.8 -112.132 TIMING: 2017800 CPU: 6025.55, 0.00299852/step Wall: 6025.55, 0.00299852/step, 2.48394 hours remaining, 206.796875 MB of memory in use. ENERGY: 2017800 722.6105 2106.8375 1935.8458 115.0952 -206072.3957 17660.6662 0.0000 0.0000 34383.3900 -149147.9504 300.2787 -183531.3404 -149048.2549 299.1032 -48.2129 -21.0395 558927.4460 -15.3914 -15.5712 PRESSURE: 2018000 151.695 -104.547 59.0632 -104.547 -84.1705 -117.57 59.0632 -117.571 -13.7819 GPRESSURE: 2018000 175.313 -211.96 -22.8151 -73.1977 -26.5572 -103.498 144.314 -67.1537 -0.95666 PRESSAVG: 2018000 -6.64484 32.7834 37.1197 32.7834 21.3196 20.4723 37.1197 20.4723 24.6851 GPRESSAVG: 2018000 -6.6495 30.8172 35.3161 35.5375 21.7941 19.8608 40.0004 18.2856 24.0541 TIMING: 2018000 CPU: 6026.14, 0.00296125/step Wall: 6026.14, 0.00296125/step, 2.4529 hours remaining, 206.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2018000 713.1772 2121.6921 1966.6690 115.3119 -206180.1902 17797.4034 0.0000 0.0000 34312.5950 -149153.3416 299.6604 -183465.9365 -149051.6615 299.3153 17.9143 49.2665 558491.6519 13.1199 13.0662 PRESSURE: 2018200 -36.8375 -1.19367 -42.8881 -1.19405 161.861 80.2383 -42.888 80.2383 173.943 GPRESSURE: 2018200 -0.612714 -5.22019 -27.39 90.4139 230.484 63.4191 9.4801 80.0212 171.601 PRESSAVG: 2018200 -10.6429 -14.9419 18.477 -14.9419 14.1136 58.8026 18.4769 58.8027 -66.419 GPRESSAVG: 2018200 -10.5439 -12.359 20.2711 -17.2619 13.7146 58.854 14.9906 60.7093 -65.7936 TIMING: 2018200 CPU: 6026.74, 0.0029899/step Wall: 6026.74, 0.0029899/step, 2.47647 hours remaining, 206.796875 MB of memory in use. ENERGY: 2018200 756.6510 2074.7379 1956.6129 89.2163 -206182.6534 17842.6374 0.0000 0.0000 34316.0650 -149146.7328 299.6907 -183462.7978 -149053.5551 299.7252 99.6555 133.8239 557457.0915 -20.9828 -20.8743 PRESSURE: 2018400 146.441 66.9427 22.1303 66.9431 -36.8277 89.9822 22.1297 89.9838 224.186 GPRESSURE: 2018400 190.872 53.3071 84.3015 53.7601 17.5794 155.649 37.5609 119.444 227.059 PRESSAVG: 2018400 -19.5369 -20.3103 -40.7788 -20.3104 31.4846 19.553 -40.7788 19.5532 -7.91772 GPRESSAVG: 2018400 -19.3709 -21.0607 -42.3707 -21.5498 32.7518 19.1038 -39.9713 19.8141 -8.98503 TIMING: 2018400 CPU: 6027.34, 0.003002/step Wall: 6027.34, 0.003002/step, 2.48632 hours remaining, 206.796875 MB of memory in use. ENERGY: 2018400 731.3904 2069.1090 1962.7242 102.7550 -206411.2383 18111.4149 0.0000 0.0000 34309.8639 -149123.9809 299.6366 -183433.8448 -149028.1343 299.8439 111.2663 145.1702 556536.6593 1.3433 1.4653 PRESSURE: 2018600 -250.436 -42.1111 66.1402 -42.1094 101.897 113.174 66.1394 113.172 -113.739 GPRESSURE: 2018600 -224.058 -39.0482 66.8702 -64.2677 142.584 114.232 85.733 120.103 -80.1913 PRESSAVG: 2018600 -43.9722 -13.8436 -29.2922 -13.8437 60.0749 37.5915 -29.2921 37.5915 -33.4472 GPRESSAVG: 2018600 -43.0194 -14.5543 -27.2175 -12.3565 58.5247 37.8831 -27.7191 36.3078 -33.0765 TIMING: 2018600 CPU: 6027.94, 0.00299781/step Wall: 6027.94, 0.00299781/step, 2.48269 hours remaining, 206.796875 MB of memory in use. ENERGY: 2018600 709.9750 2075.2830 1948.1368 119.8901 -206192.4238 17752.2898 0.0000 0.0000 34389.8564 -149196.9928 300.3352 -183586.8492 -149096.9549 299.6011 -87.4261 -53.8885 558792.1154 -5.7815 -5.8571 PRESSURE: 2018800 -109.24 -123.005 27.7625 -123.006 -178.595 60.8206 27.7631 60.8206 -358.144 GPRESSURE: 2018800 -74.2622 -204.831 -56.3707 -39.6939 -156.911 94.3768 20.8177 50.2171 -318.931 PRESSAVG: 2018800 57.0115 -25.8038 63.4687 -25.8037 -18.6257 25.7018 63.4686 25.7018 -50.1674 GPRESSAVG: 2018800 56.6225 -25.7788 62.4284 -25.7201 -18.0103 25.9098 62.1196 26.1583 -49.8418 TIMING: 2018800 CPU: 6028.54, 0.00299812/step Wall: 6028.54, 0.00299812/step, 2.48278 hours remaining, 206.796875 MB of memory in use. ENERGY: 2018800 745.8271 2010.8704 1960.1423 104.4219 -205872.1716 17544.5557 0.0000 0.0000 34261.5451 -149244.8090 299.2146 -183506.3541 -149145.9462 299.1989 -215.3260 -183.3683 559520.1176 -3.9272 -3.7432 PRESSURE: 2019000 -159.233 24.5128 -32.1434 24.5129 -302.169 -70.4175 -32.1436 -70.4184 -1.1908 GPRESSURE: 2019000 -74.0859 19.3433 -52.8247 -8.30409 -270.901 79.0601 -32.8177 -83.6242 -23.3594 PRESSAVG: 2019000 -2.89825 -1.53898 41.6653 -1.53902 6.38191 38.0227 41.6654 38.0227 -15.6331 GPRESSAVG: 2019000 -1.36157 -1.37543 40.775 -3.56691 5.92794 38.1961 41.0912 36.0777 -16.5192 TIMING: 2019000 CPU: 6029.14, 0.00299528/step Wall: 6029.14, 0.00299528/step, 2.48026 hours remaining, 206.796875 MB of memory in use. ENERGY: 2019000 747.5206 2089.4988 1935.6543 109.1457 -206222.4579 17528.2959 0.0000 0.0000 34431.8704 -149380.4723 300.7021 -183812.3427 -149276.4067 299.6234 -154.1978 -122.7821 557496.9468 -4.0498 -3.9843 PRESSURE: 2019200 -19.1043 8.02464 20.7791 8.02556 -177.788 -31.4156 20.7783 -31.4144 -385.873 GPRESSURE: 2019200 37.4776 -29.4919 94.0656 42.6908 -198.49 -4.04564 52.3469 -52.661 -318.157 PRESSAVG: 2019200 11.0818 -7.07662 10.5342 -7.0766 -32.6237 -59.0492 10.5341 -59.0493 16.3863 GPRESSAVG: 2019200 10.1832 -8.31935 12.0246 -5.78998 -32.1989 -58.8737 10.8428 -57.1556 16.8217 TIMING: 2019200 CPU: 6029.73, 0.00295859/step Wall: 6029.73, 0.00295859/step, 2.44971 hours remaining, 206.796875 MB of memory in use. ENERGY: 2019200 749.0683 2078.2459 1921.7981 103.3337 -205907.2381 17536.8929 0.0000 0.0000 34200.0538 -149317.8454 298.6776 -183517.8993 -149216.4240 299.3701 -194.2549 -159.7230 558519.7996 -1.7186 -1.7313 PRESSURE: 2019400 -15.8153 28.5621 124.358 28.5613 -9.8352 153.179 124.358 153.178 -64.0763 GPRESSURE: 2019400 13.9497 -10.664 72.7976 107.358 59.6881 169.45 132.499 68.678 -59.6094 PRESSAVG: 2019400 45.5161 -14.2107 -29.3636 -14.2107 -14.7924 -2.33365 -29.3635 -2.33361 -62.7252 GPRESSAVG: 2019400 45.3612 -11.0276 -28.1454 -14.2904 -13.7316 -2.23376 -29.3558 -4.04031 -63.3134 TIMING: 2019400 CPU: 6030.33, 0.00298589/step Wall: 6030.33, 0.00298589/step, 2.47215 hours remaining, 206.796875 MB of memory in use. ENERGY: 2019400 729.4781 2068.3420 1939.2526 112.8540 -206481.7513 17905.7139 0.0000 0.0000 34373.4243 -149352.6865 300.1917 -183726.1107 -149259.4061 299.4915 -29.9090 4.6762 558296.3624 -10.6672 -10.5613 PRESSURE: 2019600 107.596 -56.6806 -6.58977 -56.6801 180.037 -143.768 -6.58957 -143.769 -164.277 GPRESSURE: 2019600 116.256 -12.2658 -36.7151 -143.594 194.436 -111.412 -49.626 -127.061 -91.0283 PRESSAVG: 2019600 8.76438 -33.6881 52.8762 -33.6881 -50.8367 -6.256 52.8763 -6.25598 61.5162 GPRESSAVG: 2019600 7.2033 -35.1809 51.6823 -33.2297 -51.6605 -7.84313 53.5722 -5.07251 63.6268 TIMING: 2019600 CPU: 6030.92, 0.00298314/step Wall: 6030.92, 0.00298314/step, 2.4697 hours remaining, 206.796875 MB of memory in use. ENERGY: 2019600 736.2786 2028.2452 1944.9617 114.8451 -206290.1497 17832.1834 0.0000 0.0000 34314.8238 -149318.8119 299.6799 -183633.6357 -149221.2267 299.0556 41.1190 73.2212 557998.0416 6.4813 6.3899 PRESSURE: 2019800 -71.7938 -293.808 97.1916 -293.809 -216.327 -105.128 97.1922 -105.13 -194.949 GPRESSURE: 2019800 27.1625 -228.503 44.1071 -263.43 -168.805 -31.6916 87.2546 -235.122 -234.847 PRESSAVG: 2019800 22.4052 -32.16 6.60968 -32.1601 -3.48954 -0.260038 6.60971 -0.260094 -12.5961 GPRESSAVG: 2019800 24.2413 -31.7765 7.60621 -32.3228 -4.06874 0.167351 4.76451 -1.35035 -13.3751 TIMING: 2019800 CPU: 6031.52, 0.00298261/step Wall: 6031.52, 0.00298261/step, 2.46911 hours remaining, 206.796875 MB of memory in use. ENERGY: 2019800 738.9569 2078.9608 1932.8620 119.3038 -205898.4513 17638.9982 0.0000 0.0000 34137.0063 -149252.3634 298.1270 -183389.3696 -149161.1181 298.8848 -161.0232 -125.4966 560580.6803 2.1065 2.2658 PRESSURE: 2020000 -142.083 116.247 187.564 116.248 -258.529 -199.808 187.563 -199.806 -36.0319 GPRESSURE: 2020000 -140.917 93.6939 173.833 27.8967 -172.437 -265.165 188.039 -125.86 -23.4583 PRESSAVG: 2020000 28.9183 -44.5141 59.2647 -44.5142 -39.2431 -29.2362 59.2647 -29.2362 44.2856 GPRESSAVG: 2020000 28.2175 -45.3224 56.7961 -45.2575 -37.7787 -28.0294 60.6453 -28.9315 43.6851 TIMING: 2020000 CPU: 6032.12, 0.00299404/step Wall: 6032.12, 0.00299404/step, 2.4784 hours remaining, 206.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2020000 751.6564 2070.4185 1934.9671 107.0263 -206322.4966 17662.5960 0.0000 0.0000 34431.8031 -149364.0291 300.7015 -183795.8322 -149271.8658 299.0926 -145.5479 -112.2708 557550.2573 11.3203 11.3746 PRESSURE: 2020200 -162.331 49.8335 68.6391 49.8332 -122.848 -116.077 68.64 -116.076 -169.807 GPRESSURE: 2020200 -149.892 54.6881 64.5917 7.26062 -64.9308 -141.905 -55.4339 -114.151 -132.831 PRESSAVG: 2020200 22.4879 11.8163 18.226 11.8163 -73.1524 -18.2124 18.2261 -18.2123 -6.65124 GPRESSAVG: 2020200 22.2411 12.403 18.9052 12.5961 -73.4627 -19.5836 18.4553 -17.3977 -6.25575 TIMING: 2020200 CPU: 6032.72, 0.00299951/step Wall: 6032.72, 0.00299951/step, 2.48276 hours remaining, 206.796875 MB of memory in use. ENERGY: 2020200 728.0525 2086.8349 1923.2547 112.5962 -205828.5046 17476.9684 0.0000 0.0000 34246.4924 -149254.3055 299.0831 -183500.7979 -149160.2261 299.2721 -151.6618 -115.8846 558388.4066 -19.1053 -19.1591 LDB: ============= START OF LOAD BALANCING ============== 6036.27 LDB: ============== END OF LOAD BALANCING =============== 6036.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6036.27 LDB: ============= START OF LOAD BALANCING ============== 6036.57 LDB: Largest compute 4773 load 0.029929 is 25.3% of average load 0.118139 LDB: Average compute 0.001738 is 1.5% of average load 0.118139 LDB: TIME 6036.57 LOAD: AVG 0.118139 MAX 0.206613 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.703 MB LDB: TIME 6036.57 LOAD: AVG 0.118139 MAX 0.206613 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.711 MB LDB: TIME 6036.57 LOAD: AVG 0.118139 MAX 0.206613 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6036.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6036.57 PRESSURE: 2020400 -101.099 70.0936 106.77 70.093 322.362 32.8272 106.771 32.8272 -90.5368 GPRESSURE: 2020400 -69.8656 54.437 192.886 39.1176 345.374 17.9192 120.024 41.1137 -36.523 PRESSAVG: 2020400 -19.6651 -36.238 11.8943 -36.238 34.6828 1.42651 11.8943 1.42643 -13.1851 GPRESSAVG: 2020400 -18.622 -37.1555 12.9009 -35.9526 34.0923 0.808291 10.7058 0.215391 -12.9545 TIMING: 2020400 CPU: 6033.32, 0.00303192/step Wall: 6033.32, 0.00303192/step, 2.50942 hours remaining, 206.164062 MB of memory in use. ENERGY: 2020400 742.9222 2097.9246 1936.1852 114.7438 -206461.0859 17951.0668 0.0000 0.0000 34385.7185 -149232.5248 300.2990 -183618.2434 -149144.5049 299.7945 43.5755 79.6619 557647.1356 0.6109 0.8386 PRESSURE: 2020600 -30.9241 27.4706 47.3518 27.4701 216.443 -171.681 47.3506 -171.682 -73.1189 GPRESSURE: 2020600 34.1036 72.2546 133.863 94.6022 205.973 -118.301 -18.0383 -155.724 -30.9759 PRESSAVG: 2020600 -58.1626 -2.73065 13.3405 -2.73077 81.0023 11.7415 13.3404 11.7414 -19.4016 GPRESSAVG: 2020600 -58.4949 -2.1807 11.1767 -5.07666 82.1976 11.4677 13.9671 13.0942 -20.4322 TIMING: 2020600 CPU: 6033.92, 0.00299683/step Wall: 6033.92, 0.00299683/step, 2.48021 hours remaining, 206.164062 MB of memory in use. ENERGY: 2020600 775.6951 2118.5420 1918.7771 117.5932 -206409.7900 18035.8702 0.0000 0.0000 34015.1757 -149428.1367 297.0630 -183443.3124 -149333.4170 299.1924 37.4667 69.7001 557289.2316 1.1460 1.0901 PRESSURE: 2020800 -281.888 100.905 58.2545 100.904 -75.2972 -38.6629 58.2545 -38.6618 -126.392 GPRESSURE: 2020800 -199.993 -15.4523 100.757 242.632 -34.2346 -55.665 11.6733 -2.40667 -153.69 PRESSAVG: 2020800 19.0781 -33.027 -2.93049 -33.0269 -30.8824 -27.8245 -2.9305 -27.8245 -71.2994 GPRESSAVG: 2020800 19.7301 -34.1098 -1.64025 -32.0103 -32.478 -27.1516 -2.93638 -29.2113 -70.45 TIMING: 2020800 CPU: 6034.53, 0.00301524/step Wall: 6034.53, 0.00301524/step, 2.49528 hours remaining, 206.164062 MB of memory in use. ENERGY: 2020800 757.1497 2068.3450 1925.8654 112.1416 -206197.6845 17573.3443 0.0000 0.0000 34213.8998 -149546.9387 298.7985 -183760.8385 -149453.2760 297.8856 -161.1924 -129.3060 557324.3598 -27.7012 -27.7327 PRESSURE: 2021000 176.232 -29.5492 -92.0415 -29.5489 195.509 51.7465 -92.0422 51.7464 -79.9466 GPRESSURE: 2021000 205.085 28.1105 -67.5994 -104.579 257.946 42.9265 -129.44 79.4583 -76.5689 PRESSAVG: 2021000 16.9402 32.3063 -34.1143 32.3062 -26.0513 14.9781 -34.1143 14.9781 10.375 GPRESSAVG: 2021000 15.1413 33.8136 -33.4311 31.8329 -25.1534 14.9228 -34.1827 14.7548 10.7655 TIMING: 2021000 CPU: 6035.14, 0.00304441/step Wall: 6035.14, 0.00304441/step, 2.51925 hours remaining, 206.164062 MB of memory in use. ENERGY: 2021000 721.8034 2051.0163 1919.5364 116.3529 -206676.5179 18055.5085 0.0000 0.0000 34432.2829 -149380.0175 300.7057 -183812.3004 -149289.0920 298.8419 97.2648 128.8208 558546.9806 0.4213 0.2512 PRESSURE: 2021200 71.3842 95.821 -181.231 95.8207 250.859 101.016 -181.231 101.017 -26.4916 GPRESSURE: 2021200 109.944 94.9954 -249.824 95.2478 279.461 32.342 -95.2406 112.655 1.99135 PRESSAVG: 2021200 -4.34113 24.5456 -31.6582 24.5456 27.2542 3.66307 -31.6583 3.66301 -8.43898 GPRESSAVG: 2021200 -4.17004 26.3497 -31.734 24.0142 28.1056 5.37748 -32.0601 3.31165 -9.56909 TIMING: 2021200 CPU: 6035.75, 0.00306003/step Wall: 6035.75, 0.00306003/step, 2.532 hours remaining, 206.164062 MB of memory in use. ENERGY: 2021200 714.8078 2101.0781 1940.8321 126.3580 -206149.2298 17817.2882 0.0000 0.0000 34227.9273 -149220.9384 298.9210 -183448.8657 -149123.9469 299.4365 98.5839 130.4655 557126.7285 4.8247 4.7888 PRESSURE: 2021400 -35.9773 142.347 -117.267 142.348 -196.705 47.0445 -117.265 47.045 -78.6078 GPRESSURE: 2021400 38.6229 52.8128 -22.4561 93.8366 -220.348 102.103 -116.369 7.10362 -40.4169 PRESSAVG: 2021400 0.917782 -18.067 7.81232 -18.0671 -15.0377 45.4338 7.81229 45.4339 9.81638 GPRESSAVG: 2021400 0.653513 -18.2981 6.58356 -17.8302 -16.4976 45.0652 11.1746 44.4253 11.702 TIMING: 2021400 CPU: 6036.35, 0.00303795/step Wall: 6036.35, 0.00303795/step, 2.51356 hours remaining, 206.164062 MB of memory in use. ENERGY: 2021400 737.8819 2103.2279 1912.2849 110.2552 -206056.7345 17550.0663 0.0000 0.0000 34497.6282 -149145.3900 301.2764 -183643.0182 -149056.9170 299.1934 -103.7634 -74.0472 556917.3512 -1.4345 -1.3807 PRESSURE: 2021600 55.7648 -142.376 -1.79576 -142.376 237.835 46.5266 -1.79652 46.5269 -38.836 GPRESSURE: 2021600 146.427 -130.293 49.9593 -62.7039 226.976 -37.2614 -62.0362 132.135 -25.8026 PRESSAVG: 2021600 16.1174 -52.1461 -25.5346 -52.1461 19.9272 42.0717 -25.5346 42.0716 -58.097 GPRESSAVG: 2021600 17.1033 -54.1749 -26.1795 -50.7136 20.3086 41.5296 -28.0777 43.0563 -59.62 TIMING: 2021600 CPU: 6036.96, 0.00301721/step Wall: 6036.96, 0.00301721/step, 2.49624 hours remaining, 206.164062 MB of memory in use. ENERGY: 2021600 733.4235 2101.3950 1945.0866 121.2736 -206414.7710 17991.1540 0.0000 0.0000 34399.1345 -149123.3038 300.4162 -183522.4383 -149031.4904 300.1617 84.9211 115.8666 557635.9915 -7.3508 -7.4027 PRESSURE: 2021800 -152.05 143.18 -8.89283 143.179 46.8695 3.88834 -8.89294 3.88947 -127.075 GPRESSURE: 2021800 -57.797 188.162 -23.0185 152.925 56.514 -96.8483 37.7302 7.84279 -132.479 PRESSAVG: 2021800 -64.8188 4.63293 4.59491 4.63297 80.2303 37.6185 4.59487 37.6186 -33.8489 GPRESSAVG: 2021800 -64.2238 5.55113 4.75034 3.81152 79.962 38.0344 6.3215 37.3791 -34.2293 TIMING: 2021800 CPU: 6037.56, 0.0029991/step Wall: 6037.56, 0.0029991/step, 2.48109 hours remaining, 206.164062 MB of memory in use. ENERGY: 2021800 744.0333 2065.0605 1926.4073 106.2055 -205990.5894 17834.5215 0.0000 0.0000 34266.4246 -149047.9367 299.2572 -183314.3613 -148951.6609 300.2462 -77.4186 -44.5873 559154.7722 -6.1458 -6.1637 PRESSURE: 2022000 -284.246 200.775 -198.306 200.775 -115.819 33.5234 -198.307 33.5239 75.4558 GPRESSURE: 2022000 -281.024 152.983 -215.034 181.277 -48.4413 80.0261 -142.023 -67.2285 96.5825 PRESSAVG: 2022000 -44.0465 10.4244 -24.0842 10.4243 120.165 13.1367 -24.0841 13.1367 -27.1017 GPRESSAVG: 2022000 -44.318 8.48255 -22.6896 10.7017 120.778 12.7058 -25.8336 13.4673 -27.2569 TIMING: 2022000 CPU: 6038.16, 0.00299714/step Wall: 6038.16, 0.00299714/step, 2.4793 hours remaining, 206.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2022000 794.5965 2115.8845 1938.5337 108.9511 -206319.3284 17790.6883 0.0000 0.0000 34534.5644 -149036.1100 301.5989 -183570.6744 -148938.8197 299.6823 -108.2030 -77.6277 558153.2268 16.3389 16.4011 PRESSURE: 2022200 29.2375 114.081 -53.0446 114.082 -88.3789 -53.6139 -53.0452 -53.6132 -19.998 GPRESSURE: 2022200 41.465 112.197 -0.204618 74.9597 -6.30115 -77.7698 -137.301 -14.6008 -11.3277 PRESSAVG: 2022200 84.1302 19.9255 -1.29695 19.9255 -31.4589 -49.1559 -1.29697 -49.1559 -39.097 GPRESSAVG: 2022200 83.169 19.0067 -0.909035 18.5379 -31.0813 -50.4033 -1.10632 -50.0314 -38.597 TIMING: 2022200 CPU: 6038.76, 0.00301908/step Wall: 6038.76, 0.00301908/step, 2.49728 hours remaining, 206.164062 MB of memory in use. ENERGY: 2022200 773.0811 2125.9969 1936.0550 119.9987 -206015.2181 17813.6769 0.0000 0.0000 34251.1023 -148995.3071 299.1234 -183246.4093 -148894.3736 300.6502 -26.3798 7.9454 560264.1759 4.5248 4.4969 PRESSURE: 2022400 -265.278 68.4253 -176.724 68.4252 -5.31906 -9.53208 -176.724 -9.53114 5.50724 GPRESSURE: 2022400 -254.899 74.301 -157.818 -3.29083 70.6168 -29.6346 -181.116 22.8054 29.631 PRESSAVG: 2022400 30.0068 -13.2389 -23.6562 -13.2388 -44.2713 -41.0207 -23.6562 -41.0206 5.18922 GPRESSAVG: 2022400 30.8382 -11.4051 -23.7002 -11.7879 -44.8461 -39.8871 -23.5849 -39.8808 4.67543 TIMING: 2022400 CPU: 6039.37, 0.00301819/step Wall: 6039.37, 0.00301819/step, 2.49638 hours remaining, 206.164062 MB of memory in use. ENERGY: 2022400 783.0137 2034.5121 1932.9304 111.7076 -206291.2969 17940.9022 0.0000 0.0000 34376.4520 -149111.7789 300.2181 -183488.2309 -149009.8788 300.1237 -88.3633 -51.5505 557738.1860 -3.0251 -3.1108 PRESSURE: 2022600 6.89358 132.903 -64.9422 132.902 -311.874 62.5168 -64.9435 62.5163 -111.081 GPRESSURE: 2022600 69.5027 182.937 -12.6444 111.345 -304.206 15.5053 -53.5585 25.7588 -88.687 PRESSAVG: 2022600 -1.72393 -5.86974 6.71398 -5.86974 36.3082 37.5793 6.714 37.5792 -26.0888 GPRESSAVG: 2022600 -1.49686 -6.71047 8.10312 -4.71426 36.8273 37.3632 4.07836 39.3139 -26.5161 TIMING: 2022600 CPU: 6039.96, 0.00297216/step Wall: 6039.96, 0.00297216/step, 2.45814 hours remaining, 206.164062 MB of memory in use. ENERGY: 2022600 728.3103 2051.9846 1928.9537 108.3955 -205618.5422 17504.1267 0.0000 0.0000 34181.7286 -149115.0428 298.5175 -183296.7714 -149018.8378 299.3709 -138.6870 -107.7969 558220.2903 2.8318 2.9381 PRESSURE: 2022800 62.7573 -1.5158 -109.573 -1.51669 180.281 40.367 -109.573 40.3684 225.065 GPRESSURE: 2022800 76.8672 10.268 -130.397 28.6574 219.422 -8.82961 -12.141 17.554 265.679 PRESSAVG: 2022800 26.6581 -49.0528 -65.4281 -49.0527 -13.263 0.645396 -65.4281 0.645393 -31.2424 GPRESSAVG: 2022800 25.9702 -51.4254 -66.814 -48.3085 -13.7621 -0.43745 -61.325 -0.401783 -30.4305 TIMING: 2022800 CPU: 6040.56, 0.00300822/step Wall: 6040.56, 0.00300822/step, 2.4878 hours remaining, 206.164062 MB of memory in use. ENERGY: 2022800 727.1928 2097.7267 1927.6043 116.7010 -206177.9699 17869.9371 0.0000 0.0000 34459.5918 -148979.2161 300.9442 -183438.8080 -148879.9938 299.6307 156.0344 187.3225 557037.1533 -5.9491 -6.0742 PRESSURE: 2023000 -154.523 85.9941 -131.718 85.9946 -147.268 140.069 -131.718 140.07 176.21 GPRESSURE: 2023000 -149.127 102.647 -102.426 88.4097 -73.862 197.238 -155.301 194.373 196.363 PRESSAVG: 2023000 -62.1665 -10.8369 -28.3327 -10.837 7.20229 11.7193 -28.3327 11.7191 39.6141 GPRESSAVG: 2023000 -63.2679 -6.69113 -29.7106 -12.4186 8.92916 12.927 -29.6047 11.168 39.595 TIMING: 2023000 CPU: 6041.17, 0.00302411/step Wall: 6041.17, 0.00302411/step, 2.50077 hours remaining, 206.164062 MB of memory in use. ENERGY: 2023000 781.4230 2058.0296 1939.5379 118.3053 -205947.3047 17760.6685 0.0000 0.0000 34419.8266 -148869.5140 300.5969 -183289.3406 -148776.1295 300.3836 -41.8600 -8.8752 557711.9021 -5.1167 -4.9146 PRESSURE: 2023200 -138.086 -7.14738 -19.9969 -7.1461 -155.798 -6.54488 -19.9978 -6.54451 -15.5242 GPRESSURE: 2023200 -126.678 -4.8347 -89.4493 4.2396 -110.532 -46.6911 42.2679 8.26146 27.5708 PRESSAVG: 2023200 1.96906 23.4675 1.57316 23.4675 -36.648 11.7063 1.57316 11.7063 46.535 GPRESSAVG: 2023200 1.6877 21.8911 2.67125 23.8033 -37.0058 11.0551 1.95839 12.3849 47.1876 TIMING: 2023200 CPU: 6041.77, 0.00299881/step Wall: 6041.77, 0.00299881/step, 2.47968 hours remaining, 206.164062 MB of memory in use. ENERGY: 2023200 750.5380 2031.5460 1958.5306 112.3407 -205726.7788 17610.2089 0.0000 0.0000 34243.7163 -149019.8983 299.0589 -183263.6146 -148922.4459 299.9169 -103.1359 -69.8796 559071.7245 3.9520 3.9565 PRESSURE: 2023400 65.1868 15.8174 113.081 15.8174 226.352 8.58375 113.081 8.58489 31.1114 GPRESSURE: 2023400 156.398 17.1395 145.056 41.5151 259.037 -19.3291 70.3344 70.8632 -9.62457 PRESSAVG: 2023400 16.63 9.66819 45.9202 9.66813 -73.348 8.09122 45.9202 8.09114 28.9412 GPRESSAVG: 2023400 17.0986 8.67559 47.3931 10.3538 -73.7986 6.83407 45.6811 8.46247 28.876 TIMING: 2023400 CPU: 6042.36, 0.00298981/step Wall: 6042.36, 0.00298981/step, 2.47208 hours remaining, 206.164062 MB of memory in use. ENERGY: 2023400 716.5775 2043.3134 1953.5075 117.7780 -205967.7846 17840.2338 0.0000 0.0000 34121.8398 -149174.5346 297.9945 -183296.3744 -149083.1762 299.4942 107.5499 135.2700 557991.5000 -9.2589 -9.2746 PRESSURE: 2023600 14.0403 -66.6367 212.106 -66.6373 96.5948 149.112 212.106 149.111 -118.652 GPRESSURE: 2023600 86.458 -8.07033 277.348 20.5605 115.307 85.6384 168.009 152.989 -114.779 PRESSAVG: 2023600 47.0733 -31.2043 54.1055 -31.2043 -14.2501 -14.6092 54.1054 -14.6092 -7.42549 GPRESSAVG: 2023600 47.9311 -30.5174 51.6851 -31.7921 -14.9814 -12.1919 54.1606 -15.8989 -7.29529 TIMING: 2023600 CPU: 6042.97, 0.00300955/step Wall: 6042.97, 0.00300955/step, 2.48823 hours remaining, 206.164062 MB of memory in use. ENERGY: 2023600 728.0436 2119.2101 1918.5557 114.9741 -206065.6187 17932.5582 0.0000 0.0000 34226.2953 -149025.9816 298.9067 -183252.2769 -148931.6922 298.8398 -2.6725 28.9952 559780.1889 8.4659 8.5515 PRESSURE: 2023800 98.1659 -65.2087 -64.6413 -65.2081 59.1314 -93.1281 -64.6435 -93.1264 54.7397 GPRESSURE: 2023800 152.503 -3.04795 -9.60937 -115.082 119.331 -86.6048 -100.532 -93.9945 40.1661 PRESSAVG: 2023800 82.9768 -61.8076 33.0662 -61.8076 -36.9288 -20.3464 33.0662 -20.3464 -48.3985 GPRESSAVG: 2023800 82.4008 -60.6336 35.8277 -64.2353 -35.2614 -19.9649 31.6042 -20.2751 -49.3072 TIMING: 2023800 CPU: 6043.56, 0.00296541/step Wall: 6043.56, 0.00296541/step, 2.45157 hours remaining, 206.164062 MB of memory in use. ENERGY: 2023800 719.7396 2063.1684 1932.0309 99.4934 -206219.4958 17826.2164 0.0000 0.0000 34394.6141 -149184.2331 300.3767 -183578.8472 -149093.3433 298.8793 70.6790 103.9997 557804.6626 -0.7835 -0.7226 PRESSURE: 2024000 -163.185 -247.799 -73.819 -247.8 -113.691 213.262 -73.8194 213.262 -200.483 GPRESSURE: 2024000 -151.612 -192.592 -109.485 -253.866 -5.29764 166.99 -32.0418 204.458 -231.19 PRESSAVG: 2024000 12.267 -21.5533 -40.8906 -21.5532 -41.691 19.3059 -40.8906 19.3059 22.2883 GPRESSAVG: 2024000 12.865 -22.1304 -42.6073 -18.3744 -43.3911 17.0858 -39.116 18.6673 23.4805 TIMING: 2024000 CPU: 6044.15, 0.00296975/step Wall: 6044.15, 0.00296975/step, 2.45499 hours remaining, 206.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2024000 748.7141 2046.4207 1936.5815 115.4430 -205953.4582 17689.9272 0.0000 0.0000 34173.4991 -149242.8726 298.4457 -183416.3717 -149139.3723 298.9221 -159.1197 -129.3668 558503.1794 -2.3786 -2.3485 PRESSURE: 2024200 -0.849992 67.58 79.3428 67.579 76.391 50.8655 79.3432 50.8671 -115.125 GPRESSURE: 2024200 59.3891 58.1217 36.783 -24.3127 143.285 142.32 132.824 -31.5478 -139.771 PRESSAVG: 2024200 6.25276 64.0278 0.0659359 64.0278 14.0883 24.424 0.0659425 24.4239 41.9991 GPRESSAVG: 2024200 6.43172 64.3343 -0.257877 61.61 14.5945 24.7382 0.188661 25.71 41.4931 TIMING: 2024200 CPU: 6044.75, 0.00299728/step Wall: 6044.75, 0.00299728/step, 2.47758 hours remaining, 206.164062 MB of memory in use. ENERGY: 2024200 775.3375 2069.7733 1943.1844 101.7021 -206129.5602 17907.4690 0.0000 0.0000 34060.1291 -149271.9649 297.4556 -183332.0940 -149174.6158 299.1564 -13.1946 20.9677 557469.3397 20.7801 20.8398 LDB: ============= START OF LOAD BALANCING ============== 6048.3 LDB: ============== END OF LOAD BALANCING =============== 6048.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6048.31 LDB: ============= START OF LOAD BALANCING ============== 6048.61 LDB: Largest compute 4773 load 0.030752 is 26.0% of average load 0.118170 LDB: Average compute 0.001728 is 1.5% of average load 0.118170 LDB: TIME 6048.61 LOAD: AVG 0.11817 MAX 0.207004 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.188 MB LDB: TIME 6048.61 LOAD: AVG 0.11817 MAX 0.207004 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 6048.61 LOAD: AVG 0.11817 MAX 0.207004 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: ============== END OF LOAD BALANCING =============== 6048.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6048.62 PRESSURE: 2024400 46.6315 144.607 72.4548 144.608 96.5756 60.6513 72.4552 60.6514 74.7629 GPRESSURE: 2024400 77.9472 24.1771 99.0031 200.611 138.931 77.7968 96.7323 89.5367 113.425 PRESSAVG: 2024400 76.118 18.5881 9.941 18.588 -40.8537 22.6159 9.9411 22.6159 -57.9088 GPRESSAVG: 2024400 76.1196 19.1641 10.2837 18.4946 -39.5067 22.4788 8.27716 22.1337 -58.7888 TIMING: 2024400 CPU: 6045.37, 0.00306593/step Wall: 6045.37, 0.00306593/step, 2.53416 hours remaining, 207.187500 MB of memory in use. ENERGY: 2024400 730.1308 2117.1670 1941.6763 98.9463 -206279.7579 17993.8236 0.0000 0.0000 34105.8916 -149292.1223 297.8552 -183398.0139 -149194.7676 298.2642 72.6566 110.1013 555399.2872 -7.5482 -7.3920 PRESSURE: 2024600 171.875 -7.25836 33.6289 -7.2579 -234.924 27.2138 33.6284 27.215 -52.5005 GPRESSURE: 2024600 173.283 -84.5694 -53.7972 52.8369 -152.467 14.4749 46.9168 -8.67747 -37.7975 PRESSAVG: 2024600 29.4166 46.9673 10.5063 46.9674 -34.968 43.1365 10.5063 43.1364 -13.2133 GPRESSAVG: 2024600 29.6763 43.4821 12.045 49.0001 -36.118 44.2758 10.7776 41.0847 -12.431 TIMING: 2024600 CPU: 6045.97, 0.00300859/step Wall: 6045.97, 0.00300859/step, 2.4866 hours remaining, 207.187500 MB of memory in use. ENERGY: 2024600 775.8989 2076.4114 1902.2437 113.0472 -206132.8839 17687.1240 0.0000 0.0000 34345.0704 -149233.0884 299.9440 -183578.1588 -149129.2339 299.2721 -38.5164 -5.6605 556542.5633 -6.2549 -6.2909 PRESSURE: 2024800 -114.991 4.83765 -19.3011 4.83801 89.7099 90.1064 -19.3006 90.105 -56.3885 GPRESSURE: 2024800 -157.704 42.1797 33.5435 -42.9013 194.852 107.615 -40.6761 43.3016 -19.0592 PRESSAVG: 2024800 -42.9426 8.68712 3.68317 8.68714 -5.92447 30.9402 3.68318 30.9402 -2.82858 GPRESSAVG: 2024800 -43.8444 13.9458 2.44273 7.48389 -6.038 28.7677 5.23223 35.116 -1.98226 TIMING: 2024800 CPU: 6046.56, 0.00296806/step Wall: 6046.56, 0.00296806/step, 2.45294 hours remaining, 207.187500 MB of memory in use. ENERGY: 2024800 789.7731 2053.8028 1923.1640 114.3054 -206165.1300 17795.9682 0.0000 0.0000 34071.2380 -149416.8785 297.5526 -183488.1165 -149322.4991 298.9025 -27.2233 6.0298 555905.5108 -17.2319 -17.2882 PRESSURE: 2025000 54.8631 -83.3158 93.1779 -83.3146 136.593 -60.3075 93.1773 -60.3079 141.269 GPRESSURE: 2025000 102.845 -19.5306 93.638 -156.965 188.256 -70.2898 77.3509 -74.6417 141.754 PRESSAVG: 2025000 -8.55867 14.074 -6.86541 14.0741 35.3559 -15.2223 -6.86539 -15.2223 -12.0096 GPRESSAVG: 2025000 -7.48277 12.8123 -6.24048 13.3765 35.0583 -14.3626 -9.0405 -18.8326 -12.8351 TIMING: 2025000 CPU: 6047.15, 0.00296717/step Wall: 6047.15, 0.00296717/step, 2.45204 hours remaining, 207.187500 MB of memory in use. ENERGY: 2025000 767.0359 2098.6009 1911.1780 114.4327 -206417.5651 18063.1842 0.0000 0.0000 34100.0542 -149363.0792 297.8043 -183463.1333 -149272.7288 298.6653 110.9084 144.2847 556345.0062 4.9292 4.9135 PRESSURE: 2025200 -193.048 -64.0939 -192.317 -64.0934 -87.4787 68.9617 -192.317 68.9606 -91.6551 GPRESSURE: 2025200 -129.033 -37.0075 -155.663 -73.3374 -59.9643 80.6884 -202.007 25.2395 -84.0777 PRESSAVG: 2025200 44.8554 -20.8809 -12.6859 -20.881 -51.4139 3.20164 -12.6858 3.20158 22.5763 GPRESSAVG: 2025200 42.9908 -21.2665 -14.6454 -20.7279 -50.7296 2.52915 -12.5393 4.7441 23.3299 TIMING: 2025200 CPU: 6047.75, 0.00296563/step Wall: 6047.75, 0.00296563/step, 2.4506 hours remaining, 207.187500 MB of memory in use. ENERGY: 2025200 730.6345 2016.6356 1931.8049 111.8856 -206024.6701 17573.2899 0.0000 0.0000 34218.2718 -149442.1478 298.8367 -183660.4196 -149344.9084 298.7358 -124.0605 -91.0250 557618.0688 5.3393 5.1971 PRESSURE: 2025400 -174.646 40.9638 77.9372 40.9634 -114.647 24.8746 77.9381 24.8736 -132.538 GPRESSURE: 2025400 -141.936 55.5909 148.813 25.4081 -125.861 -38.2265 59.8135 116.814 -59.9138 PRESSAVG: 2025400 -9.24932 -53.584 -70.2934 -53.5841 39.283 -78.1419 -70.2932 -78.1418 -15.2838 GPRESSAVG: 2025400 -8.41751 -56.0958 -69.1563 -53.4643 38.9172 -77.7606 -69.3049 -77.952 -15.3866 TIMING: 2025400 CPU: 6048.34, 0.00296954/step Wall: 6048.34, 0.00296954/step, 2.45367 hours remaining, 207.187500 MB of memory in use. ENERGY: 2025400 730.8842 2099.1986 1946.2350 113.9654 -206434.7327 17897.7181 0.0000 0.0000 34103.0477 -149543.6836 297.8304 -183646.7313 -149444.9388 298.4333 -140.6105 -109.2370 559603.9043 4.9166 5.0377 PRESSURE: 2025600 -136.051 258.26 -123.397 258.26 81.0392 160.404 -123.397 160.403 52.9049 GPRESSURE: 2025600 -33.5287 286.258 -196.722 235.434 83.1887 47.8433 5.17563 162.38 31.0303 PRESSAVG: 2025600 48.6266 6.82161 -63.2682 6.82164 -60.9596 -16.3067 -63.2682 -16.3067 21.1077 GPRESSAVG: 2025600 48.6343 7.40786 -63.4298 6.51523 -62.012 -15.0431 -62.7905 -17.4318 21.8886 TIMING: 2025600 CPU: 6048.94, 0.00301044/step Wall: 6048.94, 0.00301043/step, 2.48729 hours remaining, 207.187500 MB of memory in use. ENERGY: 2025600 716.4927 2083.7474 1952.6854 108.5874 -206834.2081 17928.9710 0.0000 0.0000 34357.7977 -149685.9266 300.0552 -184043.7243 -149592.7296 298.2151 -0.7022 26.8968 556133.8045 2.9249 2.8370 PRESSURE: 2025800 -141.579 -64.9528 117.104 -64.9528 -173.874 144.12 117.105 144.119 3.08271 GPRESSURE: 2025800 -111.991 10.1263 162.087 -118.012 -132.592 149.271 37.2431 83.393 31.0368 PRESSAVG: 2025800 -35.8845 -7.56465 -27.2662 -7.56461 -4.27569 6.53974 -27.2661 6.53984 2.15841 GPRESSAVG: 2025800 -35.6486 -5.22146 -26.9095 -8.20794 -3.25858 7.89555 -28.479 6.54733 1.21031 TIMING: 2025800 CPU: 6049.55, 0.00302359/step Wall: 6049.55, 0.00302359/step, 2.49799 hours remaining, 207.187500 MB of memory in use. ENERGY: 2025800 730.8194 2089.9244 1979.7432 108.3301 -206325.1500 17766.0836 0.0000 0.0000 34203.5197 -149446.7295 298.7078 -183650.2493 -149347.6044 298.7508 -104.1236 -71.1819 557354.9218 -12.6672 -12.5656 PRESSURE: 2026000 -135.372 -89.5911 44.652 -89.5917 43.1766 -17.2662 44.6513 -17.268 -129.149 GPRESSURE: 2026000 -101.827 -64.0429 76.3568 -106.288 72.2096 -22.408 43.8803 -52.3615 -93.1696 PRESSAVG: 2026000 -6.59665 22.2953 -12.1887 22.2952 -20.393 -7.15824 -12.1888 -7.15841 -12.6193 GPRESSAVG: 2026000 -5.94596 20.9658 -11.8161 22.5616 -20.8041 -7.49185 -11.9843 -9.12297 -12.6274 TIMING: 2026000 CPU: 6050.15, 0.00301107/step Wall: 6050.15, 0.00301107/step, 2.48748 hours remaining, 207.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2026000 746.7854 2076.2933 1955.2702 110.2300 -206519.7216 17886.9702 0.0000 0.0000 34102.4800 -149641.6925 297.8254 -183744.1725 -149545.2571 298.5613 -73.7816 -40.9291 556228.2789 -13.2030 -13.1258 PRESSURE: 2026200 -326.232 -17.3943 -25.9891 -17.3944 93.724 193.322 -25.9901 193.321 21.1722 GPRESSURE: 2026200 -239.67 -8.24169 34.1775 24.1064 96.4058 182.81 -34.574 252.518 33.6682 PRESSAVG: 2026200 -40.7032 24.9516 17.8324 24.9516 54.4032 -8.99431 17.8325 -8.99435 30.2435 GPRESSAVG: 2026200 -41.8075 26.752 19.3636 25.643 55.2108 -10.5289 17.8013 -7.19494 30.5864 TIMING: 2026200 CPU: 6050.75, 0.00300103/step Wall: 6050.75, 0.00300102/step, 2.47901 hours remaining, 207.187500 MB of memory in use. ENERGY: 2026200 715.2477 2106.1394 1937.8659 116.7705 -206297.4431 17614.7055 0.0000 0.0000 34101.5216 -149705.1926 297.8171 -183806.7142 -149608.8800 298.1553 -70.4452 -36.5319 555957.0765 14.6478 14.6632 PRESSURE: 2026400 271.742 66.3462 -72.2512 66.3461 48.7584 160.863 -72.2513 160.863 -81.9383 GPRESSURE: 2026400 316.262 14.1795 6.44664 65.5386 38.6189 112.448 -95.3252 170.664 -25.9113 PRESSAVG: 2026400 -55.0694 44.3558 6.41384 44.3557 9.06572 -32.9044 6.41376 -32.9044 47.6861 GPRESSAVG: 2026400 -56.2808 42.488 6.61504 42.5654 10.0131 -34.6844 4.9811 -31.4683 48.0353 TIMING: 2026400 CPU: 6051.35, 0.00298904/step Wall: 6051.35, 0.00298904/step, 2.46895 hours remaining, 207.187500 MB of memory in use. ENERGY: 2026400 745.4667 2137.5622 1946.9753 129.4185 -206767.0444 17946.9779 0.0000 0.0000 34009.8954 -149850.7483 297.0169 -183860.6437 -149760.2947 298.0442 79.5206 109.6565 557276.9160 0.5608 0.5892 PRESSURE: 2026600 -3.40528 -58.9939 -140.883 -58.9943 -40.2209 -155.854 -140.882 -155.854 -25.629 GPRESSURE: 2026600 72.9914 44.2644 -134.737 -142.658 -66.9863 -154.482 -128.954 -88.5026 26.1489 PRESSAVG: 2026600 13.7552 -9.55037 -8.39477 -9.55044 52.5158 -46.0186 -8.39476 -46.0187 -54.1006 GPRESSAVG: 2026600 15.4448 -8.7636 -8.75587 -8.78985 52.1534 -43.2556 -6.78713 -45.3995 -54.8377 TIMING: 2026600 CPU: 6051.95, 0.0030187/step Wall: 6051.95, 0.0030187/step, 2.49328 hours remaining, 207.187500 MB of memory in use. ENERGY: 2026600 724.0230 2095.7634 1933.1713 110.0366 -206749.5292 17879.2972 0.0000 0.0000 34281.7870 -149725.4507 299.3914 -184007.2377 -149632.3674 297.3073 -23.0851 10.7180 556365.1378 4.0568 4.2535 PRESSURE: 2026800 -135.58 -61.8692 56.972 -61.8682 140.969 -49.1905 56.9714 -49.1907 5.78044 GPRESSURE: 2026800 -60.9443 -123.169 152.788 -34.9361 108.258 -23.3122 -24.2116 -96.0851 58.9371 PRESSAVG: 2026800 -37.431 -71.4412 8.38188 -71.4411 37.5063 -8.23643 8.38193 -8.23636 18.3523 GPRESSAVG: 2026800 -38.4729 -70.6766 7.05678 -71.2505 37.6011 -11.5405 10.4215 -8.70831 19.3477 TIMING: 2026800 CPU: 6052.55, 0.00299938/step Wall: 6052.55, 0.00299938/step, 2.47716 hours remaining, 207.187500 MB of memory in use. ENERGY: 2026800 774.6770 2083.6590 1934.3519 127.5797 -206421.4237 17674.2940 0.0000 0.0000 34223.5389 -149603.3233 298.8827 -183826.8622 -149506.6763 298.1444 3.7231 35.4170 556355.9035 6.1425 6.1586 PRESSURE: 2027000 52.6918 48.6019 -108.998 48.6019 192.869 1.52936 -109.001 1.52949 20.2708 GPRESSURE: 2027000 70.687 -9.38427 -82.5426 86.9943 247.249 23.0356 -158.218 8.23966 50.389 PRESSAVG: 2027000 -40.4621 -5.43331 32.8671 -5.43328 44.8085 53.7874 32.8672 53.7872 14.918 GPRESSAVG: 2027000 -39.9752 -7.911 34.2901 -4.78399 44.1043 57.9451 32.9034 52.5459 15.1994 TIMING: 2027000 CPU: 6053.14, 0.0029605/step Wall: 6053.14, 0.0029605/step, 2.44488 hours remaining, 207.187500 MB of memory in use. ENERGY: 2027000 749.7532 2067.4553 1953.5758 107.4695 -206644.2592 18046.6933 0.0000 0.0000 34268.9847 -149450.3273 299.2796 -183719.3121 -149356.6810 299.1454 88.6105 122.7750 555778.0393 6.4215 6.4428 PRESSURE: 2027200 122.825 -53.931 -45.3707 -53.9306 337.296 -36.2403 -45.372 -36.2407 -117.168 GPRESSURE: 2027200 149.88 -81.9958 5.20105 3.25051 322.415 35.4417 -45.0188 -50.8781 -32.7089 PRESSAVG: 2027200 48.1392 -11.6957 -59.7204 -11.6957 43.0668 -48.6884 -59.7204 -48.6884 -74.9883 GPRESSAVG: 2027200 48.4015 -10.8044 -61.3656 -10.3758 43.3824 -48.9975 -61.3312 -47.1255 -75.6459 TIMING: 2027200 CPU: 6053.74, 0.00296961/step Wall: 6053.74, 0.00296961/step, 2.45224 hours remaining, 207.187500 MB of memory in use. ENERGY: 2027200 712.1383 2127.6267 1961.7777 118.9035 -206605.6118 18028.2164 0.0000 0.0000 34207.5433 -149449.4059 298.7430 -183656.9493 -149356.2200 298.8737 114.3177 146.5286 556439.3874 5.4059 5.3794 PRESSURE: 2027400 -113.808 -178.866 -97.2311 -178.867 -172.894 67.6828 -97.2318 67.6829 16.9602 GPRESSURE: 2027400 -79.61 -184.584 -131.997 -180.814 -122.661 20.2848 -102.667 73.3328 19.0195 PRESSAVG: 2027400 10.9881 5.26537 0.947302 5.26536 -37.2843 -56.6641 0.947235 -56.6641 -11.4618 GPRESSAVG: 2027400 10.9872 8.24621 1.50991 3.76048 -36.7093 -57.8801 1.11221 -57.1465 -11.576 TIMING: 2027400 CPU: 6054.33, 0.00298015/step Wall: 6054.33, 0.00298015/step, 2.46077 hours remaining, 207.187500 MB of memory in use. ENERGY: 2027400 781.2981 2094.1408 1919.1237 121.1206 -206407.5102 17805.6754 0.0000 0.0000 34170.9681 -149515.1834 298.4236 -183686.1515 -149427.7374 298.5681 -89.9137 -61.0840 556438.5066 -12.5860 -12.4327 PRESSURE: 2027600 -433.463 -33.4883 -173.731 -33.4888 -142.054 92.2431 -173.729 92.2422 -124.034 GPRESSURE: 2027600 -381.22 -59.1783 -118.709 21.1404 -87.1167 32.65 -181.298 131.447 -121.037 PRESSAVG: 2027600 -30.938 47.6894 -60.2501 47.6894 -39.1439 59.324 -60.2501 59.324 10.739 GPRESSAVG: 2027600 -30.4668 46.2979 -60.0001 47.3122 -40.5287 58.7456 -59.2289 58.6703 11.0603 TIMING: 2027600 CPU: 6054.93, 0.00298366/step Wall: 6054.93, 0.00298366/step, 2.46351 hours remaining, 207.187500 MB of memory in use. ENERGY: 2027600 771.9578 2081.2063 1943.7700 112.7296 -206083.6237 17478.0165 0.0000 0.0000 34158.5274 -149537.4161 298.3149 -183695.9435 -149441.1754 298.8164 -233.1835 -196.4578 557709.1545 -19.7810 -19.9784 PRESSURE: 2027800 -24.9251 -118.386 54.2224 -118.387 249.486 149.609 54.2203 149.611 -16.6762 GPRESSURE: 2027800 14.5563 -114.54 0.709834 -161.745 279.496 122.647 82.5505 148.345 2.59523 PRESSAVG: 2027800 -0.538268 -47.8633 -22.2081 -47.8634 46.707 57.0628 -22.2081 57.0628 -23.9655 GPRESSAVG: 2027800 -1.22153 -48.431 -23.9298 -46.9313 47.398 56.4826 -20.7489 58.8697 -24.804 TIMING: 2027800 CPU: 6055.52, 0.00296142/step Wall: 6055.52, 0.00296142/step, 2.44498 hours remaining, 207.187500 MB of memory in use. ENERGY: 2027800 718.0037 2047.5926 1915.5926 118.9954 -206603.2936 17903.8440 0.0000 0.0000 34206.4154 -149692.8498 298.7331 -183899.2652 -149597.1206 298.5435 69.2948 98.8826 555580.6818 7.4011 7.1242 PRESSURE: 2028000 -89.4751 -244.399 44.462 -244.4 -101.802 63.3555 44.463 63.3561 125.131 GPRESSURE: 2028000 -53.0253 -214.798 132.34 -226.647 -104.691 54.1383 29.645 19.5541 193.724 PRESSAVG: 2028000 -6.00519 -41.2777 6.49956 -41.2778 -0.0627002 8.18699 6.49956 8.18681 -5.10258 GPRESSAVG: 2028000 -5.37258 -41.7783 8.72665 -40.6467 -0.729995 10.9009 4.18016 5.76139 -4.96231 TIMING: 2028000 CPU: 6056.12, 0.00298559/step Wall: 6056.12, 0.00298559/step, 2.46477 hours remaining, 207.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2028000 741.1663 2079.2764 1960.5863 109.5367 -206167.3890 17713.1256 0.0000 0.0000 33977.7806 -149585.9171 296.7364 -183563.6977 -149490.3568 298.0591 -22.0488 12.0026 556874.3311 -3.7235 -3.6883 PRESSURE: 2028200 129.712 46.7796 122.888 46.7813 143.269 -29.1905 122.887 -29.1898 -184.326 GPRESSURE: 2028200 213.868 -14.6906 77.6067 15.3992 126.531 -2.59016 178.548 -34.8175 -151.413 PRESSAVG: 2028200 19.9442 -40.7594 7.75067 -40.7593 12.4153 -11.6822 7.75055 -11.6821 54.6115 GPRESSAVG: 2028200 18.9731 -41.4075 7.84646 -41.8332 13.1584 -13.9443 7.75948 -9.89325 54.5449 TIMING: 2028200 CPU: 6056.72, 0.00297809/step Wall: 6056.72, 0.00297809/step, 2.45841 hours remaining, 207.187500 MB of memory in use. ENERGY: 2028200 725.8266 2042.4773 1922.5326 107.1655 -206378.8282 17878.0216 0.0000 0.0000 34008.5401 -149694.2645 297.0050 -183702.8046 -149595.7287 297.8722 29.5519 62.9952 555471.2419 28.9903 28.8921 LDB: ============= START OF LOAD BALANCING ============== 6060.26 LDB: ============== END OF LOAD BALANCING =============== 6060.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6060.27 LDB: ============= START OF LOAD BALANCING ============== 6060.57 LDB: Largest compute 4773 load 0.030725 is 26.0% of average load 0.118194 LDB: Average compute 0.001739 is 1.5% of average load 0.118194 LDB: TIME 6060.57 LOAD: AVG 0.118194 MAX 0.209451 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 6060.57 LOAD: AVG 0.118194 MAX 0.209451 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 6060.57 LOAD: AVG 0.118194 MAX 0.209451 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 6060.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6060.58 PRESSURE: 2028400 31.7346 33.8459 96.3222 33.845 -203.322 -154.034 96.3229 -154.034 245.324 GPRESSURE: 2028400 65.6645 62.5506 27.3564 -9.14708 -138.701 -210.953 91.5168 -122.903 224.315 PRESSAVG: 2028400 62.1111 -30.4922 24.6306 -30.4922 -83.839 -25.1554 24.6307 -25.1555 66.6544 GPRESSAVG: 2028400 62.6206 -29.5906 24.7962 -30.4685 -84.6779 -23.6234 24.8916 -25.81 67.3304 TIMING: 2028400 CPU: 6057.33, 0.00305078/step Wall: 6057.33, 0.00305078/step, 2.51825 hours remaining, 206.714844 MB of memory in use. ENERGY: 2028400 783.0882 2142.1195 1935.6901 108.0193 -206511.8170 17905.0432 0.0000 0.0000 34066.9426 -149570.9142 297.5151 -183637.8568 -149475.8738 298.3108 24.5790 50.4262 556541.3947 14.9755 15.0910 PRESSURE: 2028600 -20.3841 -43.9542 118.516 -43.9542 -88.7473 -13.7859 118.516 -13.7838 -44.7768 GPRESSURE: 2028600 7.44035 -42.2221 135.714 -68.6925 -84.9284 -37.0677 73.6711 -54.5208 12.4802 PRESSAVG: 2028600 4.82369 -13.7131 4.05209 -13.7132 -27.5365 -38.246 4.0521 -38.2461 12.7702 GPRESSAVG: 2028600 3.53679 -13.897 4.29208 -13.0308 -26.7751 -40.3715 3.81757 -38.447 13.1996 TIMING: 2028600 CPU: 6057.93, 0.00300691/step Wall: 6057.93, 0.00300691/step, 2.48187 hours remaining, 206.714844 MB of memory in use. ENERGY: 2028600 753.3895 2043.2269 1966.2685 120.5792 -206153.9022 17569.1828 0.0000 0.0000 34176.8420 -149524.4133 298.4749 -183701.2553 -149428.5319 298.1822 -51.3027 -21.6693 555494.0071 -3.3142 -3.3462 PRESSURE: 2028800 -97.5068 47.9714 29.5085 47.9713 -33.569 101.791 29.5075 101.793 -60.5704 GPRESSURE: 2028800 -54.1693 -0.108651 -68.19 112.941 -24.3745 112.185 69.6133 152.515 -16.4542 PRESSAVG: 2028800 24.0824 -41.1027 -14.8466 -41.1028 -0.940697 -1.24905 -14.8466 -1.24892 -24.8152 GPRESSAVG: 2028800 24.9869 -39.7148 -15.4214 -41.6265 -1.30366 -0.149786 -13.3436 -1.01017 -25.3766 TIMING: 2028800 CPU: 6058.53, 0.00300712/step Wall: 6058.53, 0.00300712/step, 2.48188 hours remaining, 206.714844 MB of memory in use. ENERGY: 2028800 731.5832 2120.6715 1921.7600 110.2185 -206387.4863 17717.8414 0.0000 0.0000 34092.3179 -149693.0937 297.7367 -183785.4116 -149606.6086 298.5267 -63.8821 -31.6660 557267.7193 -0.5578 -0.5645 PRESSURE: 2029000 -288.537 -98.6646 52.7885 -98.6644 -143.755 -63.7852 52.7882 -63.7845 84.4339 GPRESSURE: 2029000 -265.667 -146.023 19.6342 -50.9697 -120.251 5.18272 71.3882 -170.388 143.765 PRESSAVG: 2029000 1.159 -13.4861 7.55368 -13.4862 -17.1423 -38.3859 7.55377 -38.3859 12.4948 GPRESSAVG: 2029000 0.26225 -13.0466 7.17882 -13.4792 -16.1033 -39.3856 7.66965 -37.0445 12.4625 TIMING: 2029000 CPU: 6059.13, 0.00299798/step Wall: 6059.13, 0.00299798/step, 2.47417 hours remaining, 206.714844 MB of memory in use. ENERGY: 2029000 737.5898 2059.6055 1932.8607 119.3615 -206472.3372 17707.8610 0.0000 0.0000 34141.6342 -149773.4246 298.1674 -183915.0588 -149672.5924 297.9240 -115.9527 -80.7177 556566.4091 -1.1628 -1.1262 PRESSURE: 2029200 -4.207 8.56458 -104.052 8.56443 -74.008 -86.8224 -104.052 -86.8225 -92.6004 GPRESSURE: 2029200 6.179 38.0016 1.24276 37.2329 -46.8935 -31.9825 -159.495 -161.65 -42.5046 PRESSAVG: 2029200 -76.0212 -25.5532 -3.93836 -25.5533 69.724 -25.027 -3.93843 -25.027 17.3673 GPRESSAVG: 2029200 -75.444 -25.4328 -2.28962 -25.7934 68.829 -23.5269 -6.04356 -26.1186 17.5344 TIMING: 2029200 CPU: 6059.73, 0.00299881/step Wall: 6059.73, 0.00299881/step, 2.47468 hours remaining, 206.714844 MB of memory in use. ENERGY: 2029200 724.8492 2053.0326 1944.6460 111.0377 -206111.0553 17636.1500 0.0000 0.0000 33968.3844 -149672.9554 296.6543 -183641.3398 -149577.7559 297.9327 -56.9385 -27.7397 556050.7717 3.6901 3.6398 PRESSURE: 2029400 -48.2505 87.5369 24.9065 87.5362 149.216 71.6344 24.9066 71.6351 -95.2804 GPRESSURE: 2029400 -77.5278 127.384 35.1792 77.5523 210.656 57.0727 -23.8415 0.537129 -25.5017 PRESSAVG: 2029400 -51.9287 -1.02988 -44.7201 -1.02991 42.715 -12.0408 -44.7201 -12.0408 -0.185156 GPRESSAVG: 2029400 -51.185 -1.71621 -42.632 -0.102559 42.1963 -14.4234 -45.7056 -10.8435 0.158619 TIMING: 2029400 CPU: 6060.33, 0.00299838/step Wall: 6060.33, 0.00299838/step, 2.47417 hours remaining, 206.714844 MB of memory in use. ENERGY: 2029400 701.8731 2012.6541 1931.0162 101.7038 -206515.7639 17920.7664 0.0000 0.0000 34221.4662 -149626.2841 298.8646 -183847.7503 -149527.0241 297.8634 1.8950 35.8754 558207.1083 -3.1330 -2.9434 PRESSURE: 2029600 -26.9491 147.347 -186.986 147.346 170.143 -109.126 -186.986 -109.127 40.4277 GPRESSURE: 2029600 -42.9004 178.931 -173.11 140.338 270.26 -26.8735 -84.959 -64.5396 42.2408 PRESSAVG: 2029600 -47.9565 63.8668 -11.3878 63.8667 14.294 35.151 -11.3878 35.151 29.0988 GPRESSAVG: 2029600 -48.1165 63.4734 -14.9276 63.5432 15.3744 35.2208 -8.13612 34.9053 27.5911 TIMING: 2029600 CPU: 6060.93, 0.00301027/step Wall: 6060.93, 0.00301027/step, 2.48381 hours remaining, 206.714844 MB of memory in use. ENERGY: 2029600 735.8307 2007.8478 1952.0314 105.2011 -206394.4847 17971.3439 0.0000 0.0000 34113.3365 -149508.8933 297.9203 -183622.2299 -149405.7733 298.0347 61.2070 89.8669 557426.6888 -1.5212 -1.7170 PRESSURE: 2029800 123.811 57.9076 -2.78216 57.9075 74.3824 123.188 -2.78255 123.189 -360.844 GPRESSURE: 2029800 173.594 -11.6812 -4.14857 -51.2418 81.573 20.4645 73.6335 182.167 -310.808 PRESSAVG: 2029800 -38.802 -11.9552 -62.4063 -11.9552 29.5392 30.7614 -62.4063 30.7613 -2.74043 GPRESSAVG: 2029800 -39.2019 -12.3783 -61.8166 -13.923 28.2998 30.9476 -64.3983 29.1205 -1.30481 TIMING: 2029800 CPU: 6061.53, 0.00298733/step Wall: 6061.53, 0.00298733/step, 2.46471 hours remaining, 206.714844 MB of memory in use. ENERGY: 2029800 718.1980 2115.2445 1919.1740 112.6294 -206244.6803 17794.8982 0.0000 0.0000 34244.8845 -149339.6516 299.0691 -183584.5361 -149245.4003 298.8886 -54.2169 -18.5470 557064.6803 -4.0011 -4.0690 PRESSURE: 2030000 165.049 16.9469 -74.7672 16.9453 96.4204 204.649 -74.7685 204.649 119.459 GPRESSURE: 2030000 152.581 -15.9518 -77.3682 -9.29823 144.435 212.776 -26.2244 158.748 187.322 PRESSAVG: 2030000 31.0249 2.31771 -64.9672 2.31769 51.6869 34.7219 -64.9671 34.7219 -48.014 GPRESSAVG: 2030000 30.9881 1.05248 -64.3148 5.01762 52.4958 35.4446 -64.4602 34.982 -48.485 TIMING: 2030000 CPU: 6062.13, 0.00299737/step Wall: 6062.13, 0.00299737/step, 2.47283 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2030000 769.2857 2097.2559 1954.6652 106.5385 -206355.8907 18022.6714 0.0000 0.0000 34136.2527 -149269.2213 298.1204 -183405.4740 -149171.8935 299.5218 126.9762 161.4461 558043.9073 11.5659 11.6663 PRESSURE: 2030200 -150.607 -5.01399 -129.731 -5.01449 12.7998 47.2138 -129.73 47.2131 -59.7677 GPRESSURE: 2030200 -84.8331 18.8088 -69.8409 -63.4995 32.3428 125.383 -91.6957 -43.1879 -41.6862 PRESSAVG: 2030200 -12.959 9.52469 -21.5748 9.52464 30.5746 -17.2764 -21.5748 -17.2766 -30.4115 GPRESSAVG: 2030200 -12.7534 11.8074 -20.2818 6.69275 29.9498 -17.5409 -20.6027 -16.5041 -30.3101 TIMING: 2030200 CPU: 6062.72, 0.00298385/step Wall: 6062.72, 0.00298385/step, 2.46151 hours remaining, 206.714844 MB of memory in use. ENERGY: 2030200 731.6215 2029.8369 1944.2355 112.0052 -206030.5391 17700.2998 0.0000 0.0000 34084.7353 -149427.8050 297.6705 -183512.5403 -149338.1899 298.5449 -65.8584 -31.3922 557898.1856 -4.2653 -4.3713 PRESSURE: 2030400 -187.584 -101.947 62.5099 -101.947 -17.3857 -124.392 62.5086 -124.393 142.546 GPRESSURE: 2030400 -153.562 -42.1199 0.261313 -89.2164 1.07202 -40.7276 96.6662 -155.297 192.584 PRESSAVG: 2030400 -31.6681 36.892 18.9745 36.8919 27.0426 28.8638 18.9745 28.8638 3.97372 GPRESSAVG: 2030400 -31.3033 34.7354 16.3691 38.9436 27.1186 30.2122 18.8874 26.9721 3.40084 TIMING: 2030400 CPU: 6063.32, 0.00297435/step Wall: 6063.32, 0.00297435/step, 2.45351 hours remaining, 206.714844 MB of memory in use. ENERGY: 2030400 682.8512 2101.0723 1941.0984 106.3925 -206290.4069 17771.0286 0.0000 0.0000 34401.9991 -149285.9648 300.4412 -183687.9639 -149193.6245 298.6913 -20.8078 13.3648 558921.0439 -0.2173 -0.2613 PRESSURE: 2030600 82.1433 64.8929 -15.6703 64.8927 98.9401 65.7963 -15.6685 65.7962 98.5762 GPRESSURE: 2030600 123.656 12.5783 3.11999 78.9851 142.975 83.1587 52.3424 23.8805 107.588 PRESSAVG: 2030600 -12.9958 -0.491457 17.7249 -0.491414 52.9179 28.3279 17.7251 28.3279 -17.3488 GPRESSAVG: 2030600 -14.4073 1.46939 16.1967 -1.83867 52.2817 27.4895 18.307 30.4869 -15.7789 TIMING: 2030600 CPU: 6063.91, 0.00295453/step Wall: 6063.91, 0.00295453/step, 2.437 hours remaining, 206.714844 MB of memory in use. ENERGY: 2030600 722.0567 2081.7943 1925.2458 110.1354 -206086.2546 17759.2680 0.0000 0.0000 34243.7311 -149244.0233 299.0590 -183487.7544 -149143.2561 299.2449 93.2199 124.7398 558212.6744 7.5244 7.3652 PRESSURE: 2030800 73.179 -43.7388 -157.131 -43.7378 -88.6061 47.9597 -157.13 47.9605 223.116 GPRESSURE: 2030800 104.885 -13.232 -48.5929 -64.9473 -72.0456 51.6524 -123.481 -33.4131 269.554 PRESSAVG: 2030800 -21.4496 -20.2441 17.8228 -20.2441 -5.27159 48.4683 17.8228 48.4683 45.7321 GPRESSAVG: 2030800 -20.3865 -19.8416 21.1228 -21.2995 -5.44076 46.3324 17.2782 48.8967 44.9425 TIMING: 2030800 CPU: 6064.5, 0.00297859/step Wall: 6064.5, 0.00297859/step, 2.45668 hours remaining, 206.714844 MB of memory in use. ENERGY: 2030800 735.6099 2088.9552 1929.9194 103.5432 -206250.0306 17866.7514 0.0000 0.0000 34232.6782 -149292.5732 298.9625 -183525.2514 -149195.6354 299.5756 69.2297 100.7978 557712.8600 6.3370 6.3718 PRESSURE: 2031000 85.6764 58.159 -378.743 58.1594 70.3469 -51.1308 -378.743 -51.1299 -112.5 GPRESSURE: 2031000 85.9161 80.5695 -461.363 -5.72697 168.228 -59.1874 -274.171 -69.1089 -105.357 PRESSAVG: 2031000 -52.2113 -9.47582 -55.0479 -9.47586 2.42888 -20.737 -55.048 -20.7369 47.3298 GPRESSAVG: 2031000 -52.3411 -9.45021 -58.042 -10.3403 4.42334 -20.667 -53.3504 -20.7183 46.0276 TIMING: 2031000 CPU: 6065.1, 0.00299453/step Wall: 6065.1, 0.00299453/step, 2.46966 hours remaining, 206.714844 MB of memory in use. ENERGY: 2031000 773.7950 2089.4491 1909.9755 118.0445 -206422.6712 17927.9450 0.0000 0.0000 34358.3422 -149245.1199 300.0599 -183603.4621 -149148.1758 299.1610 14.5078 49.5954 558136.2803 -0.8175 -0.6300 PRESSURE: 2031200 -310.28 -109.244 -239.468 -109.244 355.702 -85.0939 -239.468 -85.0944 45.2237 GPRESSURE: 2031200 -203.417 -131.291 -137.023 -61.8276 348.653 -126.86 -226.815 -28.023 47.2002 PRESSAVG: 2031200 -57.9224 -47.5311 -36.3695 -47.5311 42.089 0.744828 -36.3696 0.744757 19.5994 GPRESSAVG: 2031200 -58.6056 -48.7463 -33.5151 -45.2974 40.9882 0.800219 -37.8834 0.814907 21.214 TIMING: 2031200 CPU: 6065.7, 0.00299979/step Wall: 6065.7, 0.00299979/step, 2.47383 hours remaining, 206.714844 MB of memory in use. ENERGY: 2031200 739.3498 2091.5117 1910.3087 114.4373 -206114.5421 17870.7397 0.0000 0.0000 34100.2298 -149287.9651 297.8058 -183388.1949 -149194.0003 298.4411 30.2154 64.1456 556972.0965 1.2553 1.1989 PRESSURE: 2031400 -19.8448 -65.2957 -107.468 -65.2958 -248.721 43.7052 -107.469 43.7021 2.31557 GPRESSURE: 2031400 21.7394 -57.2429 -133.338 -3.23707 -201.289 114.978 -42.6013 98.7573 6.02351 PRESSAVG: 2031400 52.6118 -21.58 -30.1677 -21.5801 -17.3202 -31.8745 -30.1677 -31.8745 -32.9211 GPRESSAVG: 2031400 51.9632 -21.2025 -31.1525 -20.3609 -16.1686 -30.2201 -28.5053 -32.7899 -33.0781 TIMING: 2031400 CPU: 6066.3, 0.0029906/step Wall: 6066.3, 0.0029906/step, 2.46608 hours remaining, 206.714844 MB of memory in use. ENERGY: 2031400 766.1930 2111.5611 1925.9727 93.1170 -205986.2612 17573.3494 0.0000 0.0000 34278.7196 -149237.3483 299.3646 -183516.0679 -149141.8833 298.7756 -88.7502 -57.8420 557574.7492 0.7902 0.9055 PRESSURE: 2031600 -186.912 133.989 13.5117 133.989 -20.115 -152.194 13.5115 -152.195 -200.269 GPRESSURE: 2031600 -120.78 75.6221 -59.9824 126.158 4.89981 -114.373 -5.53533 -236.843 -176.412 PRESSAVG: 2031600 0.970505 27.1508 -66.2922 27.1507 -40.1227 28.0096 -66.2923 28.0096 -15.6647 GPRESSAVG: 2031600 1.20823 28.1184 -67.3095 25.9073 -39.6186 27.2395 -66.3 27.6783 -15.7095 TIMING: 2031600 CPU: 6066.89, 0.00295512/step Wall: 6066.89, 0.00295512/step, 2.43666 hours remaining, 206.714844 MB of memory in use. ENERGY: 2031600 773.7964 1991.3132 1927.6478 108.2346 -205990.4611 17607.3717 0.0000 0.0000 34203.9551 -149378.1423 298.7116 -183582.0974 -149288.1562 299.2653 -135.7653 -97.4307 558597.6890 -18.2723 -18.0400 PRESSURE: 2031800 -54.0487 -34.835 -14.0691 -34.8349 -42.3402 142.809 -14.0689 142.81 -47.5409 GPRESSURE: 2031800 -80.3331 3.6508 -20.5537 -69.6429 13.4664 104.491 -82.3978 143.349 23.6982 PRESSAVG: 2031800 -45.7917 77.8477 -43.8309 77.8477 8.46557 3.63601 -43.831 3.63604 20.1471 GPRESSAVG: 2031800 -46.5272 77.4963 -41.4064 80.2632 8.54135 3.44879 -46.5596 4.0994 21.3914 TIMING: 2031800 CPU: 6067.48, 0.00296029/step Wall: 6067.48, 0.00296029/step, 2.44076 hours remaining, 206.714844 MB of memory in use. ENERGY: 2031800 704.6600 2030.5607 1950.3030 126.7117 -205898.8314 17616.9710 0.0000 0.0000 34180.3267 -149289.2982 298.5053 -183469.6249 -149188.1483 299.5074 -47.9766 -14.3895 557621.8815 -5.7264 -5.5315 PRESSURE: 2032000 -130.684 41.7033 7.30984 41.7032 67.4426 47.5703 7.311 47.5702 -241.5 GPRESSURE: 2032000 -51.8848 -9.79487 -41.6617 89.53 68.3566 47.2915 -1.542 70.3049 -216.388 PRESSAVG: 2032000 -8.40013 46.5088 7.0427 46.5088 17.1794 50.6304 7.04264 50.6304 -45.2757 GPRESSAVG: 2032000 -7.10781 44.9381 5.47019 44.171 16.2311 52.8105 7.28802 49.9493 -45.5852 TIMING: 2032000 CPU: 6068.08, 0.00296895/step Wall: 6068.08, 0.00296894/step, 2.44773 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2032000 752.9032 2074.9812 1945.7668 107.4167 -206282.3195 17761.9658 0.0000 0.0000 34224.0100 -149415.2758 298.8868 -183639.2858 -149318.8834 299.2241 -101.5808 -66.6388 555880.1582 -12.1655 -12.1540 PRESSURE: 2032200 1.26616 67.4669 40.9481 67.4674 -152.035 -120.945 40.9483 -120.944 -120.625 GPRESSURE: 2032200 18.2456 28.8403 73.1328 99.6996 -98.8813 -92.4376 151.802 -155.505 -85.7673 PRESSAVG: 2032200 10.4876 -12.0521 -13.1844 -12.0522 -19.3227 -18.0147 -13.1844 -18.0147 29.9742 GPRESSAVG: 2032200 10.3623 -11.0473 -13.2871 -12.5302 -18.1708 -19.2422 -12.9979 -17.0674 29.6994 TIMING: 2032200 CPU: 6068.68, 0.0029914/step Wall: 6068.68, 0.0029914/step, 2.46608 hours remaining, 206.714844 MB of memory in use. ENERGY: 2032200 750.8566 2119.4241 1936.5803 114.9673 -206025.4005 17533.5737 0.0000 0.0000 34178.7235 -149391.2751 298.4913 -183569.9986 -149290.2892 298.7397 -90.4646 -55.4676 555766.1248 7.0464 7.2969 LDB: ============= START OF LOAD BALANCING ============== 6072.23 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6072.23 LDB: =============== DONE WITH MIGRATION ================ 6072.23 LDB: ============= START OF LOAD BALANCING ============== 6072.53 LDB: Largest compute 4773 load 0.029468 is 24.9% of average load 0.118177 LDB: Average compute 0.001742 is 1.5% of average load 0.118177 LDB: TIME 6072.53 LOAD: AVG 0.118177 MAX 0.210511 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.77 MB LDB: TIME 6072.53 LOAD: AVG 0.118177 MAX 0.210511 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.973 MB LDB: TIME 6072.53 LOAD: AVG 0.118177 MAX 0.210511 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.973 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6072.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6072.54 PRESSURE: 2032400 109.33 6.44814 62.5012 6.44918 2.39037 46.1953 62.5005 46.1954 -67.8219 GPRESSURE: 2032400 142.49 38.615 -58.007 -70.6452 56.4536 51.3083 49.791 -20.2196 -68.1774 PRESSAVG: 2032400 -84.8341 22.81 42.3583 22.81 65.9251 -1.48754 42.3583 -1.48751 -25.9491 GPRESSAVG: 2032400 -83.3756 23.2549 44.3135 22.7388 65.4527 -0.0592694 40.6086 -2.55054 -26.8995 TIMING: 2032400 CPU: 6069.29, 0.00304418/step Wall: 6069.29, 0.00304418/step, 2.50942 hours remaining, 206.714844 MB of memory in use. ENERGY: 2032400 701.6541 2130.7673 1907.6483 115.5277 -206250.1037 17663.2724 0.0000 0.0000 34293.7545 -149437.4794 299.4959 -183731.2339 -149344.2661 298.5029 14.6328 43.5887 555090.7941 -14.9527 -14.9408 PRESSURE: 2032600 -41.2627 -72.0891 88.6994 -72.089 -233.224 26.2802 88.6977 26.2802 8.64694 GPRESSURE: 2032600 -10.5321 -59.7841 -6.82195 -135.191 -216.035 -19.1091 51.2005 -11.041 55.2919 PRESSAVG: 2032600 48.327 8.81454 83.1551 8.81451 -37.9055 -15.783 83.1551 -15.783 -18.6439 GPRESSAVG: 2032600 47.8308 7.51889 80.3754 11.0511 -37.4399 -18.6392 85.1997 -15.443 -18.0792 TIMING: 2032600 CPU: 6069.88, 0.00296413/step Wall: 6069.88, 0.00296413/step, 2.44327 hours remaining, 206.714844 MB of memory in use. ENERGY: 2032600 744.5206 2074.1862 1926.8223 111.3296 -206497.4511 17707.2004 0.0000 0.0000 34344.5128 -149588.8792 299.9392 -183933.3920 -149499.0131 298.3332 -88.6131 -57.0917 555722.7342 -2.7408 -2.5628 PRESSURE: 2032800 183.663 24.4391 -162.375 24.4398 -13.6509 97.1795 -162.375 97.1789 -296.922 GPRESSURE: 2032800 200.959 -67.3739 -166.782 39.0627 -49.9978 43.3566 -184.13 88.0787 -171.655 PRESSAVG: 2032800 -2.41641 -16.2904 -1.53339 -16.2904 8.03812 13.4815 -1.53339 13.4816 32.6578 GPRESSAVG: 2032800 -2.27308 -14.5521 1.73315 -17.1771 7.47922 16.9568 -3.35275 12.1776 34.2275 TIMING: 2032800 CPU: 6070.48, 0.00300416/step Wall: 6070.48, 0.00300416/step, 2.4761 hours remaining, 206.714844 MB of memory in use. ENERGY: 2032800 777.0147 2118.1070 1914.3205 118.0896 -206415.3263 17707.8510 0.0000 0.0000 34261.8680 -149518.0755 299.2174 -183779.9435 -149425.4223 299.2797 -42.3030 -6.8981 555881.0229 12.7598 13.1445 PRESSURE: 2033000 -237.374 258.659 -105.696 258.659 105.236 44.822 -105.696 44.8213 -129.641 GPRESSURE: 2033000 -218.979 278.22 -174.073 290.208 98.2441 -1.47687 -41.0036 -8.01157 -52.5241 PRESSAVG: 2033000 43.305 17.7782 0.361314 17.7782 10.4675 38.974 0.361326 38.9741 -58.4418 GPRESSAVG: 2033000 43.6445 17.2602 -2.00736 18.1439 10.718 36.3825 1.75057 40.1784 -58.7025 TIMING: 2033000 CPU: 6071.08, 0.00300821/step Wall: 6071.08, 0.00300821/step, 2.47927 hours remaining, 206.714844 MB of memory in use. ENERGY: 2033000 730.3940 2135.3173 1905.6813 119.6461 -206041.5204 17734.9718 0.0000 0.0000 34044.2655 -149371.2444 297.3170 -183415.5100 -149271.4429 298.8255 -87.2596 -57.7531 557206.7987 -1.5564 -1.4467 PRESSURE: 2033200 -194.171 23.8352 0.200313 23.8355 -350.233 -158.786 0.199796 -158.785 -295.289 GPRESSURE: 2033200 -212.658 15.5064 -35.6247 -21.163 -336.3 -151.979 -13.1033 -150.584 -196.414 PRESSAVG: 2033200 -16.6311 -51.4933 12.5836 -51.4934 41.1477 -5.41254 12.5836 -5.41261 -7.50549 GPRESSAVG: 2033200 -17.2516 -53.667 10.3546 -51.1694 42.027 -3.79468 12.3344 -6.19703 -7.55777 TIMING: 2033200 CPU: 6071.68, 0.0030088/step Wall: 6071.68, 0.0030088/step, 2.47959 hours remaining, 206.714844 MB of memory in use. ENERGY: 2033200 719.1599 2096.8034 1908.3466 94.5324 -205972.9462 17391.2207 0.0000 0.0000 34341.9801 -149420.9032 299.9171 -183762.8833 -149325.6427 298.7465 -279.8977 -248.4572 557821.9759 5.6704 5.7392 PRESSURE: 2033400 158.445 116.684 -155.789 116.683 25.5133 58.724 -155.788 58.7251 -233.768 GPRESSURE: 2033400 234.651 100.361 -164.69 84.2935 -9.74931 7.20794 -70.9147 61.4646 -176.27 PRESSAVG: 2033400 3.64298 22.6211 -20.5679 22.621 31.3013 1.08491 -20.5678 1.0848 -23.836 GPRESSAVG: 2033400 4.9156 23.272 -19.1767 23.0233 30.7943 -0.142389 -19.3968 2.39076 -24.98 TIMING: 2033400 CPU: 6072.28, 0.00300308/step Wall: 6072.28, 0.00300309/step, 2.47471 hours remaining, 206.714844 MB of memory in use. ENERGY: 2033400 764.3691 2123.5014 1926.1317 111.4882 -206262.2950 17695.1887 0.0000 0.0000 34163.9447 -149477.6713 298.3622 -183641.6160 -149389.2567 298.4320 -16.6034 16.2107 554600.7385 3.7028 3.5766 PRESSURE: 2033600 -22.196 41.4311 5.74904 41.4322 -62.0117 -149.649 5.74831 -149.649 -61.2552 GPRESSURE: 2033600 25.0339 56.0777 -11.9738 28.092 4.25317 -141.894 39.4105 -161.996 -72.2358 PRESSAVG: 2033600 102.761 -17.8353 12.4269 -17.8354 -12.1497 41.4206 12.4269 41.4208 -62.2869 GPRESSAVG: 2033600 101.267 -17.4089 12.5923 -19.0514 -11.8817 40.4704 12.4433 41.6169 -61.3579 TIMING: 2033600 CPU: 6072.88, 0.00300687/step Wall: 6072.88, 0.00300687/step, 2.47766 hours remaining, 206.714844 MB of memory in use. ENERGY: 2033600 761.3160 2026.3162 1919.7776 105.5853 -205863.1770 17695.6902 0.0000 0.0000 34034.8894 -149319.6023 297.2352 -183354.4917 -149230.0569 298.6044 -48.4877 -14.3162 556694.5211 9.4415 9.3425 PRESSURE: 2033800 -3.42178 -84.6326 61.2872 -84.6328 -2.51016 -21.7786 61.2862 -21.7771 -93.7979 GPRESSURE: 2033800 80.0603 -172.378 74.8848 -24.7536 29.7434 -5.25455 85.2351 -114.763 -104.96 PRESSAVG: 2033800 26.6395 -40.8981 -27.998 -40.8981 38.3194 -20.4763 -27.998 -20.4764 -35.1604 GPRESSAVG: 2033800 27.7294 -42.8852 -27.3629 -39.9175 37.2837 -18.9938 -28.4707 -22.6558 -35.6176 TIMING: 2033800 CPU: 6073.48, 0.00299617/step Wall: 6073.48, 0.00299617/step, 2.46868 hours remaining, 206.714844 MB of memory in use. ENERGY: 2033800 730.4074 2051.0636 1937.6461 125.2174 -206172.7549 17865.7951 0.0000 0.0000 34202.5641 -149260.0612 298.6995 -183462.6253 -149157.9699 298.6752 -33.2433 1.6146 557284.2241 9.9329 9.7985 PRESSURE: 2034000 -333.055 -142.42 15.2206 -142.421 -94.621 -60.7919 15.2194 -60.7918 -184.633 GPRESSURE: 2034000 -281.689 -82.0675 -6.12947 -156.679 -107.993 -77.2503 91.24 -72.3383 -130.541 PRESSAVG: 2034000 -9.90239 -45.7988 27.4131 -45.7988 1.91193 -22.1037 27.4131 -22.1037 -21.9398 GPRESSAVG: 2034000 -9.79944 -44.508 28.4319 -45.3897 2.2121 -21.0793 26.7803 -21.7531 -21.843 TIMING: 2034000 CPU: 6074.08, 0.00297364/step Wall: 6074.08, 0.00297364/step, 2.44995 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2034000 711.4127 2065.0369 1931.5742 114.1232 -205908.0984 17589.2344 0.0000 0.0000 34187.8180 -149308.8990 298.5707 -183496.7170 -149214.8374 298.9653 -204.1030 -173.4078 558389.7615 -9.9768 -9.8101 PRESSURE: 2034200 26.3254 -31.0346 18.9757 -31.0335 235.754 79.9265 18.9774 79.9273 -28.6443 GPRESSURE: 2034200 76.4231 -115.928 66.8398 -43.0318 237.471 0.0616033 9.55715 149.116 3.39142 PRESSAVG: 2034200 -35.1976 -47.9395 42.6643 -47.9395 -2.39368 19.7838 42.6644 19.7837 17.8271 GPRESSAVG: 2034200 -35.6151 -47.1002 41.0906 -49.6948 -2.01754 17.9627 42.8683 20.4297 16.8276 TIMING: 2034200 CPU: 6074.68, 0.00299299/step Wall: 6074.68, 0.00299299/step, 2.46573 hours remaining, 206.714844 MB of memory in use. ENERGY: 2034200 685.4792 2083.5423 1976.4928 112.6833 -205999.7146 17655.9611 0.0000 0.0000 34172.1052 -149313.4506 298.4335 -183485.5558 -149221.2898 298.6339 77.8115 105.7618 557654.5993 -6.5881 -6.9350 PRESSURE: 2034400 -263.323 -6.90129 145.668 -6.90062 -105.883 -119.134 145.668 -119.133 -238.369 GPRESSURE: 2034400 -197.284 57.5104 174.26 -73.8498 -70.3311 -246.641 177.502 -43.4132 -245.865 PRESSAVG: 2034400 27.8835 -23.1796 49.1466 -23.1796 60.1259 27.8268 49.1466 27.8268 -67.0371 GPRESSAVG: 2034400 27.3992 -24.1066 47.723 -22.1097 59.7596 29.3912 50.8931 26.7668 -66.1875 TIMING: 2034400 CPU: 6075.27, 0.00297174/step Wall: 6075.27, 0.00297175/step, 2.44806 hours remaining, 206.714844 MB of memory in use. ENERGY: 2034400 767.3289 2081.5571 1972.4652 104.2975 -206023.2835 17570.8763 0.0000 0.0000 34199.1396 -149327.6189 298.6696 -183526.7585 -149228.2893 299.1634 -202.5250 -171.1600 557012.6027 6.9907 6.9904 PRESSURE: 2034600 100.184 14.6983 -114.824 14.6988 140.53 11.5978 -114.824 11.5976 75.0586 GPRESSURE: 2034600 147.63 -17.8647 -182.699 52.2767 141.898 -37.1415 -16.7674 -5.6869 125.817 PRESSAVG: 2034600 13.4223 -35.1367 31.5049 -35.1367 61.9323 -67.3585 31.5049 -67.3585 -52.166 GPRESSAVG: 2034600 13.8542 -35.0027 33.1376 -33.8067 63.4111 -71.1192 29.2269 -64.4307 -53.8132 TIMING: 2034600 CPU: 6075.87, 0.00301361/step Wall: 6075.87, 0.00301361/step, 2.48238 hours remaining, 206.714844 MB of memory in use. ENERGY: 2034600 754.5453 2071.4271 1917.9028 110.0715 -206375.8938 17964.3739 0.0000 0.0000 34183.7521 -149373.8211 298.5352 -183557.5732 -149280.3751 298.9552 105.2575 138.4483 556593.1548 7.7295 7.8174 PRESSURE: 2034800 10.9248 -101.95 23.6876 -101.95 -246.615 9.93922 23.6865 9.94039 201.066 GPRESSURE: 2034800 104.525 -91.3792 -0.169177 -146.657 -231.582 50.6823 65.6324 22.0603 197.547 PRESSAVG: 2034800 -86.1149 -64.1225 -17.6023 -64.1224 51.3811 -25.0265 -17.6024 -25.0264 30.0611 GPRESSAVG: 2034800 -85.0008 -62.539 -17.6883 -66.9589 48.592 -20.013 -15.9831 -27.9391 31.2391 TIMING: 2034800 CPU: 6076.48, 0.00304112/step Wall: 6076.48, 0.00304112/step, 2.50487 hours remaining, 206.714844 MB of memory in use. ENERGY: 2034800 757.5743 2048.1902 1952.4390 126.3180 -206567.4191 18042.2785 0.0000 0.0000 34269.2717 -149371.3475 299.2821 -183640.6192 -149282.0203 299.0257 -11.5415 23.4968 557520.2833 -1.5576 -1.7232 PRESSURE: 2035000 -145.61 5.06582 -148.23 5.06556 -51.6581 -62.97 -148.23 -62.9705 -162.814 GPRESSURE: 2035000 -150.64 28.6827 -83.7103 3.97653 -3.469 -124.26 -178.47 9.79379 -106.311 PRESSAVG: 2035000 -12.7401 -6.04344 -24.0249 -6.0435 -5.39923 -6.36932 -24.0248 -6.36936 27.6568 GPRESSAVG: 2035000 -12.8839 -8.32176 -26.4705 -2.57274 -3.06854 -9.11429 -25.0325 -3.58741 25.0347 TIMING: 2035000 CPU: 6077.08, 0.00298306/step Wall: 6077.08, 0.00298306/step, 2.45688 hours remaining, 206.714844 MB of memory in use. ENERGY: 2035000 731.6707 2087.3558 1943.8507 121.3977 -206096.1269 17572.5526 0.0000 0.0000 34304.8375 -149334.4618 299.5927 -183639.2993 -149248.2023 299.5663 -120.0273 -86.8065 556895.1972 3.1725 3.0274 PRESSURE: 2035200 -182.869 -57.962 120.515 -57.9627 -97.3044 -191.047 120.515 -191.047 -143.972 GPRESSURE: 2035200 -137.559 -111.865 143.872 -42.2001 -88.5414 -237.71 98.0528 -64.9567 -111.254 PRESSAVG: 2035200 -10.3376 -1.75935 20.1569 -1.75947 75.6565 -2.48038 20.1569 -2.48032 -55.9658 GPRESSAVG: 2035200 -10.7757 -0.721797 24.0351 -2.58254 73.4784 -0.969494 18.6068 -4.34673 -53.3116 TIMING: 2035200 CPU: 6077.68, 0.0029928/step Wall: 6077.68, 0.0029928/step, 2.46474 hours remaining, 206.714844 MB of memory in use. ENERGY: 2035200 750.6234 2105.7397 1947.1176 114.6136 -206310.9879 17747.3701 0.0000 0.0000 34304.9537 -149340.5699 299.5937 -183645.5236 -149249.9995 299.2628 -141.3819 -112.4516 557948.1696 3.1177 3.1304 PRESSURE: 2035400 -123.875 -49.4142 19.6353 -49.4131 -140.175 16.6534 19.6351 16.6545 -199.195 GPRESSURE: 2035400 -101.667 -28.3744 77.2658 -68.5954 -94.9305 78.4514 -66.1269 -45.384 -169.774 PRESSAVG: 2035400 29.4159 6.48494 49.8728 6.48489 -17.5146 13.7806 49.8728 13.7806 3.12246 GPRESSAVG: 2035400 28.6335 6.97324 49.0754 6.98772 -16.6803 12.4441 49.6257 14.8423 2.56976 TIMING: 2035400 CPU: 6078.28, 0.00303047/step Wall: 6078.28, 0.00303047/step, 2.49559 hours remaining, 206.714844 MB of memory in use. ENERGY: 2035400 774.7752 2065.5001 1926.5086 100.7487 -205887.0732 17539.8993 0.0000 0.0000 34114.0014 -149365.6399 297.9261 -183479.6413 -149264.4728 299.5318 -154.4151 -122.1240 557637.2598 5.0079 4.8410 PRESSURE: 2035600 86.3524 20.7613 -51.6885 20.7601 -37.414 90.9776 -51.6863 90.9781 14.4772 GPRESSURE: 2035600 93.7002 31.3407 25.592 -66.7984 7.46918 75.3809 -84.5283 52.6259 50.2137 PRESSAVG: 2035600 -57.7271 -24.0892 -27.0037 -24.0892 65.8753 12.3527 -27.0036 12.3527 55.9951 GPRESSAVG: 2035600 -57.0159 -23.8466 -27.7373 -24.2277 65.0787 13.2002 -25.4282 9.19774 55.945 TIMING: 2035600 CPU: 6078.88, 0.00298592/step Wall: 6078.88, 0.00298592/step, 2.45874 hours remaining, 206.714844 MB of memory in use. ENERGY: 2035600 724.5253 2016.8440 1927.4159 117.7759 -205968.4647 17718.2045 0.0000 0.0000 34244.0922 -149219.6070 299.0622 -183463.6992 -149114.6104 299.0455 21.1386 50.4610 557191.5491 21.3811 21.3359 PRESSURE: 2035800 -172.676 5.0486 14.595 5.04842 93.6573 -136.316 14.5951 -136.314 -72.7467 GPRESSURE: 2035800 -79.779 -90.3675 -15.3021 87.4398 125.045 -90.6527 34.67 -158.228 -94.8649 PRESSAVG: 2035800 -41.6607 -16.6535 -50.7026 -16.6535 -7.21928 5.08233 -50.7026 5.08231 -8.04163 GPRESSAVG: 2035800 -42.3403 -16.8374 -49.0042 -15.7041 -5.61919 5.92348 -50.7087 5.74399 -8.66665 TIMING: 2035800 CPU: 6079.48, 0.00300986/step Wall: 6079.48, 0.00300986/step, 2.47829 hours remaining, 206.714844 MB of memory in use. ENERGY: 2035800 768.1973 2116.9683 1930.7150 115.1721 -206004.0284 17770.7921 0.0000 0.0000 34286.4881 -149015.6956 299.4324 -183302.1836 -148916.2032 299.4176 -50.5884 -16.5329 557594.4304 -18.9739 -18.8754 PRESSURE: 2036000 -66.4089 -70.1442 80.2189 -70.1423 -20.6389 -5.40019 80.2198 -5.39836 -86.7551 GPRESSURE: 2036000 -57.9158 -53.6731 124.087 -104.362 26.1187 -31.9316 81.4212 27.1062 -44.529 PRESSAVG: 2036000 -71.2812 -14.9952 5.35917 -14.9951 64.5582 -66.2383 5.35917 -66.2382 -21.9133 GPRESSAVG: 2036000 -71.7378 -13.5888 3.43303 -16.6504 63.5953 -67.8352 4.94863 -66.1944 -21.1119 TIMING: 2036000 CPU: 6080.08, 0.00299109/step Wall: 6080.08, 0.00299109/step, 2.46266 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2036000 740.9666 2121.1800 1940.2758 112.8152 -205895.2130 17624.4206 0.0000 0.0000 34324.0916 -149031.4631 299.7608 -183355.5547 -148937.7102 300.0198 -57.9343 -25.4420 557501.0254 -9.5454 -9.7515 PRESSURE: 2036200 -76.4763 38.1553 -12.8144 38.1556 -210.524 52.268 -12.8142 52.2673 -42.6994 GPRESSURE: 2036200 -23.8019 49.1546 -25.5424 103.642 -219.732 40.2371 50.475 49.4235 7.43213 PRESSAVG: 2036200 33.4147 9.33864 -6.97938 9.33862 -0.0847229 -89.0099 -6.97946 -89.0099 -53.966 GPRESSAVG: 2036200 34.356 9.62443 -6.46977 9.19943 0.88356 -88.849 -6.93353 -88.7781 -55.6821 TIMING: 2036200 CPU: 6080.68, 0.0029894/step Wall: 6080.68, 0.0029894/step, 2.46111 hours remaining, 206.714844 MB of memory in use. ENERGY: 2036200 728.6067 2051.7160 1962.0194 104.7805 -205832.1467 17653.6840 0.0000 0.0000 34359.8891 -148971.4510 300.0735 -183331.3401 -148871.2011 299.8252 -109.8999 -78.7005 558017.1962 -6.8787 -6.8142 LDB: ============= START OF LOAD BALANCING ============== 6084.23 LDB: ============== END OF LOAD BALANCING =============== 6084.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6084.23 LDB: ============= START OF LOAD BALANCING ============== 6084.53 LDB: Largest compute 4773 load 0.031164 is 26.4% of average load 0.118138 LDB: Average compute 0.001738 is 1.5% of average load 0.118138 LDB: TIME 6084.53 LOAD: AVG 0.118138 MAX 0.210445 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 6084.53 LOAD: AVG 0.118138 MAX 0.210445 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: TIME 6084.53 LOAD: AVG 0.118138 MAX 0.210445 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: ============== END OF LOAD BALANCING =============== 6084.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6084.54 PRESSURE: 2036400 -11.6594 -1.54847 -67.8315 -1.55025 154.432 23.4006 -67.8316 23.3987 -101.507 GPRESSURE: 2036400 55.5493 75.892 -49.9797 39.3342 162.583 3.10977 -56.3034 29.7656 -87.738 PRESSAVG: 2036400 81.293 20.3746 25.8837 20.3747 -82.3218 -12.7368 25.8837 -12.7367 -17.1456 GPRESSAVG: 2036400 81.4074 18.9501 26.0136 20.5318 -82.1318 -12.6641 26.7835 -11.6398 -17.5034 TIMING: 2036400 CPU: 6081.29, 0.00305061/step Wall: 6081.29, 0.00305061/step, 2.51133 hours remaining, 208.765625 MB of memory in use. ENERGY: 2036400 731.5531 2127.6878 1911.4280 100.4436 -205931.3201 17641.2878 0.0000 0.0000 34380.7527 -149038.1672 300.2557 -183418.9199 -148941.7199 299.8471 13.7552 43.4646 556083.3856 -6.0581 -6.0759 PRESSURE: 2036600 -186.268 21.7991 53.3625 21.7992 -74.8576 20.0282 53.3622 20.0267 -165.158 GPRESSURE: 2036600 -139.695 17.574 64.4031 103.716 -49.3857 -46.027 28.7222 96.4959 -159.395 PRESSAVG: 2036600 -32.5953 1.46748 32.6432 1.46745 19.951 -34.0273 32.6433 -34.0274 5.30338 GPRESSAVG: 2036600 -33.7076 3.27705 30.7099 1.7595 19.5507 -33.1823 32.4477 -35.1206 7.32259 TIMING: 2036600 CPU: 6081.89, 0.00302443/step Wall: 6081.89, 0.00302443/step, 2.48961 hours remaining, 208.835938 MB of memory in use. ENERGY: 2036600 751.9648 2045.5856 1929.4242 109.9359 -205696.8136 17495.8374 0.0000 0.0000 34451.4338 -148912.6319 300.8729 -183364.0656 -148813.8169 299.7433 -142.0947 -116.1586 557616.4049 -2.4470 -2.2781 PRESSURE: 2036800 39.3791 144.755 -97.8947 144.755 -326.05 46.7483 -97.8949 46.7483 -146.668 GPRESSURE: 2036800 39.171 155.458 -27.638 21.4241 -258.217 81.7222 -128.657 0.789934 -119.682 PRESSAVG: 2036800 5.8945 -9.34078 18.3845 -9.34082 -6.66822 -62.6664 18.3846 -62.6664 19.4181 GPRESSAVG: 2036800 6.40112 -10.6568 22.3663 -10.8687 -6.5936 -65.83 15.1484 -61.4727 18.7825 TIMING: 2036800 CPU: 6082.5, 0.00301173/step Wall: 6082.5, 0.00301173/step, 2.47899 hours remaining, 208.835938 MB of memory in use. ENERGY: 2036800 729.7852 2094.3919 1940.9287 108.0724 -205531.0808 17214.5200 0.0000 0.0000 34420.0290 -149023.3535 300.5987 -183443.3825 -148928.1812 300.5342 -144.4462 -112.9092 556209.4597 6.2148 6.1967 PRESSURE: 2037000 -3.53399 39.4815 257.983 39.4819 -289.038 130.269 257.983 130.27 -145.904 GPRESSURE: 2037000 15.2401 133.602 190.66 -80.4225 -266.739 71.0111 255.411 161.367 -86.5236 PRESSAVG: 2037000 -6.20265 -26.5055 19.2725 -26.5056 14.8095 19.2406 19.2724 19.2406 -46.4569 GPRESSAVG: 2037000 -5.79444 -27.8074 16.2341 -24.6873 14.0119 20.7844 23.5086 17.5752 -46.0049 TIMING: 2037000 CPU: 6083.1, 0.00300666/step Wall: 6083.1, 0.00300666/step, 2.47465 hours remaining, 208.835938 MB of memory in use. ENERGY: 2037000 729.4485 2004.8253 1915.5909 119.1953 -205896.5343 17668.9539 0.0000 0.0000 34332.1943 -149126.3261 299.8316 -183458.5204 -149027.4766 299.7074 -146.1588 -112.6742 557787.7002 -12.6167 -12.5958 PRESSURE: 2037200 157.068 137.131 50.8891 137.131 -60.6297 152.8 50.8883 152.8 -138.822 GPRESSURE: 2037200 194.574 170.321 67.1068 107.448 -66.6182 73.7916 52.8428 179.041 -71.289 PRESSAVG: 2037200 -4.48757 2.70242 69.2218 2.70242 10.3451 1.21633 69.2217 1.2164 -11.3614 GPRESSAVG: 2037200 -3.63349 4.97041 70.7138 1.09907 9.94549 2.11359 68.7885 1.01025 -11.5504 TIMING: 2037200 CPU: 6083.7, 0.00299953/step Wall: 6083.7, 0.00299953/step, 2.46861 hours remaining, 208.906250 MB of memory in use. ENERGY: 2037200 738.0810 2092.9216 1937.5559 107.0496 -205610.6011 17628.2271 0.0000 0.0000 34051.5338 -149055.2321 297.3805 -183106.7658 -148961.7026 299.2232 -14.1282 18.8891 557342.3556 -1.8346 -1.7461 PRESSURE: 2037400 331.536 -119.248 143.473 -119.247 389.947 -29.2766 143.473 -29.2771 219.526 GPRESSURE: 2037400 354.287 -129.169 77.3996 -113.748 439.45 22.0836 154.121 -86.7266 241.638 PRESSAVG: 2037400 -24.9302 18.4996 -24.7157 18.4995 34.6153 1.36922 -24.7158 1.36923 -26.7109 GPRESSAVG: 2037400 -26.2829 16.8455 -26.2319 19.0761 34.854 -0.405533 -22.907 2.83054 -26.1793 TIMING: 2037400 CPU: 6084.3, 0.00299526/step Wall: 6084.3, 0.00299526/step, 2.46494 hours remaining, 208.906250 MB of memory in use. ENERGY: 2037400 708.7996 2068.2253 1946.9903 113.3869 -206679.1585 18264.9250 0.0000 0.0000 34425.8038 -149151.0276 300.6491 -183576.8314 -149046.3108 299.6529 313.6696 345.1250 556049.7108 -5.6753 -5.8694 PRESSURE: 2037600 312.754 -5.38397 109.687 -5.38363 225.799 -10.0931 109.688 -10.0934 68.642 GPRESSURE: 2037600 369.145 4.10775 168.629 76.6024 261.804 20.4055 46.1606 7.14442 84.7235 PRESSAVG: 2037600 55.0992 1.13826 -22.8715 1.13823 -24.123 28.6015 -22.8715 28.6015 -30.7224 GPRESSAVG: 2037600 55.5891 0.22976 -22.992 1.60233 -23.6651 29.084 -24.9137 28.9912 -31.6033 TIMING: 2037600 CPU: 6084.89, 0.00297466/step Wall: 6084.89, 0.00297466/step, 2.44781 hours remaining, 208.906250 MB of memory in use. ENERGY: 2037600 702.9305 2055.3997 1935.5185 119.1221 -206046.7417 17926.9137 0.0000 0.0000 34128.9744 -149177.8828 298.0568 -183306.8572 -149081.8708 299.4723 202.3983 238.5574 557353.9422 0.0846 0.1069 PRESSURE: 2037800 7.57122 29.5722 -82.3881 29.5715 305.227 -4.33787 -82.3885 -4.33759 198.086 GPRESSURE: 2037800 72.8828 136.622 -20.8684 2.71386 317.193 62.8758 -83.8878 -47.4156 221.896 PRESSAVG: 2037800 6.64871 27.1872 3.50365 27.1872 29.3392 1.96224 3.50366 1.96226 7.33909 GPRESSAVG: 2037800 5.91829 26.9866 6.82115 25.4199 29.2282 1.88627 1.31263 1.70092 8.32779 TIMING: 2037800 CPU: 6085.49, 0.00300441/step Wall: 6085.49, 0.00300441/step, 2.47213 hours remaining, 208.906250 MB of memory in use. ENERGY: 2037800 725.1618 2090.2107 1925.5674 109.1111 -206440.2959 18049.0162 0.0000 0.0000 34268.4910 -149272.7378 299.2753 -183541.2288 -149179.1566 298.7547 170.2945 203.9908 556182.8014 14.4423 14.4914 PRESSURE: 2038000 272.429 61.461 -155.26 61.46 31.5175 -123.071 -155.258 -123.07 167.379 GPRESSURE: 2038000 301.007 73.8731 -223.275 99.606 50.5195 -194.68 -167.496 -123.821 209.724 PRESSAVG: 2038000 25.5678 -18.5654 -42.1439 -18.5654 24.0214 38.3643 -42.1438 38.3642 1.46382 GPRESSAVG: 2038000 25.2373 -19.0034 -42.7233 -16.5334 24.1578 38.6751 -42.0868 38.0595 1.67236 TIMING: 2038000 CPU: 6086.09, 0.00300545/step Wall: 6086.09, 0.00300545/step, 2.47282 hours remaining, 208.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2038000 740.1189 2101.0402 1944.7828 107.2580 -206390.1373 18136.2469 0.0000 0.0000 34122.5449 -149238.1456 298.0007 -183360.6905 -149143.4755 298.9361 157.1087 187.0835 556706.8386 17.0177 17.0225 PRESSURE: 2038200 37.7261 72.222 176.591 72.2219 -146.955 168.189 176.592 168.189 -28.1062 GPRESSURE: 2038200 54.3417 145.833 174.141 80.9463 -126.354 206.375 207.089 167.496 38.4614 PRESSAVG: 2038200 -16.0941 -2.70695 -42.0652 -2.70696 24.0358 46.6826 -42.0652 46.6827 16.0674 GPRESSAVG: 2038200 -16.6659 -1.58842 -41.4683 -3.25647 24.3786 47.0677 -41.2754 46.0082 16.5148 TIMING: 2038200 CPU: 6086.7, 0.00303684/step Wall: 6086.7, 0.00303684/step, 2.49847 hours remaining, 208.906250 MB of memory in use. ENERGY: 2038200 737.5599 2131.6188 1941.9548 110.6006 -205727.2349 17532.0815 0.0000 0.0000 34281.7216 -148991.6977 299.3908 -183273.4193 -148895.2209 299.4742 -45.7784 -11.1838 557622.7969 8.0030 8.0758 PRESSURE: 2038400 -8.85359 115.265 282.19 115.265 -124.015 -11.4107 282.19 -11.4128 244.715 GPRESSURE: 2038400 14.5867 35.8163 298.367 154.041 -87.0462 -92.9769 119.139 5.94918 278.689 PRESSAVG: 2038400 -12.7496 3.70072 72.5229 3.70068 -16.5467 2.59862 72.5228 2.59848 24.9526 GPRESSAVG: 2038400 -10.6797 1.97303 70.4148 3.18356 -17.4042 1.37557 73.5505 2.79054 24.232 TIMING: 2038400 CPU: 6087.3, 0.00299581/step Wall: 6087.3, 0.00299581/step, 2.46456 hours remaining, 208.906250 MB of memory in use. ENERGY: 2038400 771.6191 2093.7896 1909.2063 112.5002 -206289.0472 17751.8926 0.0000 0.0000 34630.4970 -149019.5425 302.4367 -183650.0394 -148914.6605 300.2482 37.2820 68.7431 556138.8999 -1.4479 -1.2840 PRESSURE: 2038600 -257.336 -117.151 -98.8564 -117.152 -54.5919 12.532 -98.8559 12.533 -90.6225 GPRESSURE: 2038600 -156.703 -122.267 -103.753 -97.7305 -3.8564 7.2286 -89.7685 -32.0949 -148.192 PRESSAVG: 2038600 16.7803 47.8245 43.6185 47.8245 69.0758 -22.4518 43.6185 -22.4518 0.985794 GPRESSAVG: 2038600 15.1209 49.2975 46.0826 48.0588 71.0725 -20.5712 43.598 -22.488 0.855468 TIMING: 2038600 CPU: 6087.9, 0.00298259/step Wall: 6087.9, 0.00298259/step, 2.45351 hours remaining, 208.906250 MB of memory in use. ENERGY: 2038600 781.8348 2126.0363 1886.2522 120.7608 -206064.9842 17692.4244 0.0000 0.0000 34409.4542 -149048.2215 300.5063 -183457.6757 -148945.2683 300.7029 -134.1834 -102.9170 557401.7437 28.9473 29.0163 PRESSURE: 2038800 264.598 86.954 30.0077 86.9556 -45.3724 23.1386 30.0083 23.1376 132.831 GPRESSURE: 2038800 334.238 71.3075 37.6802 50.6789 -53.9895 10.1958 118.626 -39.4819 167.128 PRESSAVG: 2038800 -8.62729 64.4043 39.917 64.4044 5.48933 5.53099 39.9171 5.53088 -2.23402 GPRESSAVG: 2038800 -8.22187 64.7195 38.2125 63.6901 4.58147 5.98406 39.2657 5.96535 -1.34468 TIMING: 2038800 CPU: 6088.5, 0.00299579/step Wall: 6088.5, 0.00299579/step, 2.46421 hours remaining, 208.906250 MB of memory in use. ENERGY: 2038800 771.5176 2069.6967 1916.0734 122.1543 -206160.1952 17936.8801 0.0000 0.0000 34344.5164 -148999.3567 299.9392 -183343.8731 -148896.5378 299.1271 117.3522 149.1253 555980.0771 -1.7907 -1.6617 PRESSURE: 2039000 60.6903 -88.9921 67.7 -88.9935 167.323 39.6483 67.7003 39.6474 132.356 GPRESSURE: 2039000 139.794 -142.72 60.5356 -65.2913 202.517 41.4235 40.4092 28.6288 103.844 PRESSAVG: 2039000 31.1067 4.57559 59.1513 4.57557 -52.461 -15.9495 59.1514 -15.9497 0.684501 GPRESSAVG: 2039000 31.0291 5.08881 60.285 4.6928 -51.5231 -16.7925 58.7942 -16.8105 -0.526665 TIMING: 2039000 CPU: 6089.09, 0.00298848/step Wall: 6089.09, 0.00298848/step, 2.45802 hours remaining, 208.906250 MB of memory in use. ENERGY: 2039000 767.8035 2070.4661 1916.6738 113.5254 -206041.6395 17902.4543 0.0000 0.0000 34262.7789 -149007.9376 299.2254 -183270.7164 -148917.3782 299.7323 120.1232 148.7184 558063.2747 -6.8899 -7.0069 PRESSURE: 2039200 -19.9843 13.981 -17.1645 13.9806 -147.832 125.724 -17.1658 125.723 -172.976 GPRESSURE: 2039200 -23.5872 -78.8486 1.02863 -0.317139 -105.608 103.661 35.929 78.2369 -115.547 PRESSAVG: 2039200 23.0845 -8.35411 1.1469 -8.35408 -47.171 24.2358 1.14691 24.2359 13.3864 GPRESSAVG: 2039200 22.9097 -9.23164 -0.768807 -9.50554 -48.0975 23.5391 1.22965 24.3616 14.6486 TIMING: 2039200 CPU: 6089.69, 0.00297619/step Wall: 6089.69, 0.00297619/step, 2.44775 hours remaining, 208.906250 MB of memory in use. ENERGY: 2039200 709.5957 2045.2853 1957.9214 109.6628 -205785.8232 17521.4649 0.0000 0.0000 34356.6884 -149085.2048 300.0455 -183441.8932 -148990.7339 300.2014 -113.5973 -81.5808 557193.8533 -3.5667 -3.5131 PRESSURE: 2039400 -66.0336 75.7911 85.1918 75.7912 16.1108 -88.6412 85.1914 -88.6415 -185.628 GPRESSURE: 2039400 -104.786 73.9168 79.1763 64.0113 12.3023 9.68318 99.4758 -94.3176 -47.7039 PRESSAVG: 2039400 21.8048 0.884987 13.1694 0.885062 6.44127 36.9402 13.1694 36.9402 -24.4033 GPRESSAVG: 2039400 21.5024 -0.0907766 13.6104 2.82073 6.59955 38.6917 11.4445 35.951 -24.0809 TIMING: 2039400 CPU: 6090.28, 0.00297502/step Wall: 6090.28, 0.00297502/step, 2.44662 hours remaining, 208.906250 MB of memory in use. ENERGY: 2039400 745.1436 2026.0682 1934.6417 106.2550 -205801.9492 17597.7349 0.0000 0.0000 34291.9600 -149100.1459 299.4802 -183392.1059 -149007.2129 299.5701 -78.5170 -46.7292 558472.2192 1.2809 1.3404 PRESSURE: 2039600 -275.937 59.5657 2.95769 59.5651 -102.978 9.76276 2.96011 9.76314 -110.316 GPRESSURE: 2039600 -226.825 32.685 48.1197 60.5214 -74.5934 -55.0762 -48.2857 40.9849 -81.454 PRESSAVG: 2039600 -15.9283 -0.239972 -2.19937 -0.239928 31.5409 26.6731 -2.19933 26.6731 6.79237 GPRESSAVG: 2039600 -15.0701 1.02967 -2.25507 -0.406092 30.3799 25.4413 -0.4674 27.0639 7.16113 TIMING: 2039600 CPU: 6090.88, 0.00297962/step Wall: 6090.88, 0.00297962/step, 2.45024 hours remaining, 208.906250 MB of memory in use. ENERGY: 2039600 770.0415 2124.3019 1939.6539 98.4851 -206227.4331 17698.9653 0.0000 0.0000 34366.6707 -149229.3147 300.1327 -183595.9854 -149140.1828 299.3908 -163.0771 -127.6242 557798.8839 7.4683 7.4903 PRESSURE: 2039800 -49.2511 -17.2954 91.1562 -17.2947 21.9844 -32.294 91.1578 -32.2931 -378.481 GPRESSURE: 2039800 -23.224 -154.04 109.557 -15.0867 91.2232 -56.0072 133.296 -51.1554 -383.559 PRESSAVG: 2039800 -9.4685 55.1773 -3.57156 55.1774 7.96289 28.2026 -3.57147 28.2027 -43.6586 GPRESSAVG: 2039800 -9.56554 54.562 -3.43461 55.3488 7.5741 27.9879 -2.84316 29.4036 -43.043 TIMING: 2039800 CPU: 6091.47, 0.0029685/step Wall: 6091.47, 0.0029685/step, 2.44093 hours remaining, 208.906250 MB of memory in use. ENERGY: 2039800 727.8997 2077.7537 1902.9212 117.0051 -205836.5932 17616.6590 0.0000 0.0000 34308.1860 -149086.1685 299.6219 -183394.3545 -148986.7194 299.2357 -135.2491 -105.1865 558747.7595 -15.0547 -15.0115 PRESSURE: 2040000 -219.397 194.092 19.5806 194.092 49.8281 12.0442 19.5814 12.0439 80.2859 GPRESSURE: 2040000 -190.47 237.619 -23.5899 133.62 117.78 -39.1566 53.3769 8.02378 85.9989 PRESSAVG: 2040000 -18.626 -19.0243 3.2375 -19.0242 7.35346 75.6926 3.23756 75.6926 -37.1304 GPRESSAVG: 2040000 -19.4723 -21.1002 3.31978 -19.326 8.87701 75.9163 1.33031 75.2755 -37.7989 TIMING: 2040000 CPU: 6092.07, 0.00296646/step Wall: 6092.07, 0.00296646/step, 2.43909 hours remaining, 208.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2040000 723.4056 2043.1851 1952.3894 107.1087 -206008.3897 17676.2190 0.0000 0.0000 34305.8969 -149200.1851 299.6019 -183506.0820 -149111.7670 299.4989 -29.7610 4.4363 558196.5129 -16.1343 -16.1314 PRESSURE: 2040200 -8.63272 -51.9524 8.46961 -51.9527 146.63 -42.4646 8.47022 -42.4639 45.6578 GPRESSURE: 2040200 5.33262 -58.5089 -32.3435 -1.95786 161.457 -23.4752 0.0315359 -68.3698 108.889 PRESSAVG: 2040200 -42.0144 -13.5738 -22.1139 -13.5739 -17.4525 18.0082 -22.1139 18.0082 37.6402 GPRESSAVG: 2040200 -41.9178 -11.8136 -21.3698 -13.5865 -17.8351 17.571 -20.7985 18.245 37.5285 TIMING: 2040200 CPU: 6092.66, 0.00298071/step Wall: 6092.66, 0.00298071/step, 2.45064 hours remaining, 208.906250 MB of memory in use. ENERGY: 2040200 740.5020 2102.0292 1883.8438 103.7171 -206311.7657 18011.0647 0.0000 0.0000 34279.4103 -149191.1985 299.3706 -183470.6088 -149090.2869 299.0324 61.2183 91.8931 557642.7226 -7.2756 -7.4081 LDB: ============= START OF LOAD BALANCING ============== 6096.21 LDB: ============== END OF LOAD BALANCING =============== 6096.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6096.21 LDB: ============= START OF LOAD BALANCING ============== 6096.51 LDB: Largest compute 4773 load 0.029464 is 24.9% of average load 0.118143 LDB: Average compute 0.001739 is 1.5% of average load 0.118143 LDB: TIME 6096.52 LOAD: AVG 0.118143 MAX 0.211653 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.344 MB LDB: TIME 6096.52 LOAD: AVG 0.118143 MAX 0.211653 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.344 MB LDB: TIME 6096.52 LOAD: AVG 0.118143 MAX 0.211653 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.344 MB LDB: ============== END OF LOAD BALANCING =============== 6096.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6096.52 PRESSURE: 2040400 -255.671 -65.09 47.6171 -65.0913 -288.55 -8.82876 47.6167 -8.82788 -319.286 GPRESSURE: 2040400 -181.152 -65.5744 21.6457 18.3735 -316.78 93.2525 32.1895 -20.8617 -268.802 PRESSAVG: 2040400 -40.6691 19.653 -27.213 19.6529 7.94699 24.676 -27.213 24.6761 44.3021 GPRESSAVG: 2040400 -39.5187 18.3712 -27.1824 19.849 7.74241 24.21 -28.7347 26.2957 43.494 TIMING: 2040400 CPU: 6093.27, 0.00305368/step Wall: 6093.27, 0.00305368/step, 2.51047 hours remaining, 207.289062 MB of memory in use. ENERGY: 2040400 742.5001 2071.0311 1923.0524 112.5406 -205823.4537 17406.6916 0.0000 0.0000 34206.0167 -149361.6212 298.7297 -183567.6379 -149253.1342 299.2811 -287.8355 -255.5783 558161.1758 3.8600 3.9059 PRESSURE: 2040600 65.5024 15.7401 36.9911 15.7407 -229.558 -89.653 36.9894 -89.6526 -55.3756 GPRESSURE: 2040600 80.2848 33.2186 6.9109 -0.89733 -198.178 -34.1671 112.098 -88.2315 -14.2665 PRESSAVG: 2040600 63.5457 -17.9011 17.1114 -17.9012 -100.768 18.1794 17.1114 18.1793 14.6852 GPRESSAVG: 2040600 62.4231 -17.5408 17.6879 -17.3024 -100.501 19.7561 18.4749 16.6003 15.8258 TIMING: 2040600 CPU: 6093.87, 0.002986/step Wall: 6093.87, 0.00298601/step, 2.45466 hours remaining, 207.289062 MB of memory in use. ENERGY: 2040600 769.8268 2082.7308 1925.3852 103.6273 -205884.1585 17424.7146 0.0000 0.0000 34021.7286 -149556.1452 297.1202 -183577.8738 -149457.1418 298.2272 -73.1437 -44.0533 555713.2818 -7.5124 -7.4175 PRESSURE: 2040800 -154.956 -23.8522 -48.9021 -23.8506 -149.484 101.875 -48.9012 101.876 -264.535 GPRESSURE: 2040800 -111.793 -26.9046 -62.9969 2.44116 -133.758 76.8462 -29.9997 130.285 -215.29 PRESSAVG: 2040800 23.0139 -6.02378 23.5364 -6.02384 16.4782 -17.9259 23.5364 -17.9259 -29.8949 GPRESSAVG: 2040800 23.094 -4.29002 22.2419 -8.95088 16.422 -18.5521 22.2426 -17.2551 -29.9139 TIMING: 2040800 CPU: 6094.47, 0.00299071/step Wall: 6094.47, 0.00299071/step, 2.45837 hours remaining, 207.289062 MB of memory in use. ENERGY: 2040800 742.2296 2132.0055 1937.6039 117.5110 -206266.9225 17602.3465 0.0000 0.0000 34150.1708 -149585.0552 298.2419 -183735.2260 -149485.6688 298.2995 -189.6582 -153.6134 557342.7887 3.1991 3.2007 PRESSURE: 2041000 57.3424 98.882 125.207 98.8833 -151.326 65.0401 125.207 65.0415 -137.015 GPRESSURE: 2041000 71.9002 79.7862 138.167 124.606 -93.5651 65.2705 138.034 60.2127 -114.171 PRESSAVG: 2041000 -10.0637 37.9429 -21.6996 37.9429 20.5032 30.5208 -21.6996 30.5209 -19.7316 GPRESSAVG: 2041000 -9.74063 38.4786 -21.0821 39.7156 19.9319 31.8382 -22.0244 28.6988 -19.8763 TIMING: 2041000 CPU: 6095.07, 0.00298376/step Wall: 6095.07, 0.00298376/step, 2.45248 hours remaining, 207.289062 MB of memory in use. ENERGY: 2041000 725.7799 2111.4809 1942.0647 101.9902 -206399.8364 17886.8547 0.0000 0.0000 34117.5350 -149514.1310 297.9569 -183631.6661 -149409.7704 297.9552 -76.9998 -45.2786 557935.8759 -3.0974 -3.2283 PRESSURE: 2041200 -94.0946 -72.2668 73.0073 -72.2678 -92.904 15.4632 73.0078 15.464 -76.0748 GPRESSURE: 2041200 -49.4589 -103.51 34.4277 -25.6719 -41.724 -6.64618 86.4831 57.7658 -71.7279 PRESSAVG: 2041200 52.1978 21.2029 -29.8123 21.203 -34.6555 8.85726 -29.8124 8.85736 5.66785 GPRESSAVG: 2041200 51.806 18.1352 -30.1152 22.2157 -34.2253 6.2486 -27.5995 10.9702 5.84442 TIMING: 2041200 CPU: 6095.67, 0.00302427/step Wall: 6095.67, 0.00302427/step, 2.48561 hours remaining, 207.289062 MB of memory in use. ENERGY: 2041200 742.4450 2108.4196 1924.9525 108.3499 -206522.1622 17789.8585 0.0000 0.0000 34170.2414 -149677.8953 298.4172 -183848.1367 -149585.7363 297.8918 -87.6911 -54.3036 557390.5305 7.7367 7.8084 PRESSURE: 2041400 -29.3934 -126.118 1.98081 -126.118 126.456 113.327 1.97999 113.327 -156.01 GPRESSURE: 2041400 -29.8282 -131.652 70.338 -120.143 138.103 151.675 -67.1752 93.0292 -62.8727 PRESSAVG: 2041400 55.2817 -14.4689 -27.4745 -14.4688 -37.941 4.50559 -27.4745 4.50568 -50.6093 GPRESSAVG: 2041400 55.4242 -14.3211 -26.2301 -16.8058 -38.5227 6.3103 -29.103 2.64668 -49.4781 TIMING: 2041400 CPU: 6096.28, 0.00303573/step Wall: 6096.28, 0.00303573/step, 2.49487 hours remaining, 207.289062 MB of memory in use. ENERGY: 2041400 769.8034 2087.7170 1948.0839 108.5115 -206754.4018 17911.7832 0.0000 0.0000 34260.4768 -149668.0260 299.2053 -183928.5028 -149580.2294 298.1062 -19.6494 15.1339 555312.0281 -11.0895 -10.8589 PRESSURE: 2041600 141.38 75.5891 40.6628 75.5891 6.72153 -56.6413 40.6624 -56.6401 -90.1934 GPRESSURE: 2041600 158.036 55.3909 92.6228 69.064 36.009 -49.8208 -95.9391 -103.14 -45.3643 PRESSAVG: 2041600 22.2535 61.9722 16.4652 61.9722 -22.8698 -23.803 16.4651 -23.8032 32.1534 GPRESSAVG: 2041600 23.1495 62.5721 17.2554 61.715 -22.0153 -23.1023 15.2275 -23.3651 29.89 TIMING: 2041600 CPU: 6096.88, 0.00301324/step Wall: 6096.88, 0.00301324/step, 2.47621 hours remaining, 207.289062 MB of memory in use. ENERGY: 2041600 718.7767 2086.2405 1944.5374 125.5706 -206367.1210 17786.1895 0.0000 0.0000 33989.1092 -149716.6971 296.8353 -183705.8063 -149632.6142 297.9887 19.3028 49.5603 556565.2375 10.5124 10.3414 PRESSURE: 2041800 -130.385 86.1785 -57.0362 86.1781 -290.014 -97.7823 -57.0361 -97.781 -301.066 GPRESSURE: 2041800 -149.32 125.653 -99.72 90.4094 -255.082 -25.5883 -67.8772 -116.3 -228.525 PRESSAVG: 2041800 88.2881 0.338066 -6.33415 0.33815 -59.5151 -21.2847 -6.33419 -21.2846 -38.9725 GPRESSAVG: 2041800 87.6353 0.321445 -9.1153 1.81311 -59.4203 -20.6802 -3.66659 -21.1214 -38.582 TIMING: 2041800 CPU: 6097.49, 0.00304741/step Wall: 6097.49, 0.00304741/step, 2.50412 hours remaining, 207.289062 MB of memory in use. ENERGY: 2041800 813.2822 2073.3107 1928.8255 101.6215 -206391.0243 17514.9218 0.0000 0.0000 34358.9456 -149600.1170 300.0652 -183959.0626 -149501.7857 298.6277 -240.4883 -210.9756 556220.2281 -3.3998 -3.4557 PRESSURE: 2042000 -35.8489 159.822 122.124 159.821 -2.01004 -15.9036 122.123 -15.9031 -52.3157 GPRESSURE: 2042000 -29.7143 39.8856 173.962 270.869 56.0047 34.9349 76.8899 -63.2245 -21.1346 PRESSAVG: 2042000 31.8439 -0.754187 -0.40383 -0.754198 -21.9409 -4.44305 -0.403842 -4.44309 12.478 GPRESSAVG: 2042000 32.3131 0.884632 2.30976 -1.72396 -23.9654 -7.02645 -3.04357 -4.99256 13.5444 TIMING: 2042000 CPU: 6098.09, 0.00300412/step Wall: 6098.09, 0.00300412/step, 2.46838 hours remaining, 207.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2042000 776.8663 2097.5137 1935.2029 102.5242 -206614.6099 17785.1914 0.0000 0.0000 34446.6243 -149470.6870 300.8309 -183917.3114 -149375.0098 298.4814 -30.0582 1.7186 555239.0267 7.4603 7.2974 PRESSURE: 2042200 -86.6098 -96.0211 -38.8155 -96.0207 -115.947 -66.173 -38.8145 -66.1737 -4.58896 GPRESSURE: 2042200 -48.4945 -119.505 28.0833 -76.384 -72.0514 -3.28326 -151.976 -47.2793 5.8389 PRESSAVG: 2042200 -31.7299 14.481 -66.7149 14.4811 4.18397 6.2575 -66.7149 6.25745 57.0452 GPRESSAVG: 2042200 -29.972 12.0503 -68.3051 15.2227 4.68914 7.61399 -66.0919 6.71441 54.2802 TIMING: 2042200 CPU: 6098.69, 0.00299686/step Wall: 6098.69, 0.00299686/step, 2.46226 hours remaining, 207.289062 MB of memory in use. ENERGY: 2042200 755.9770 2050.0441 1948.7469 117.8708 -206562.4651 17854.7597 0.0000 0.0000 34192.4323 -149642.6342 298.6110 -183835.0665 -149545.0347 298.5269 -69.0487 -38.2357 557238.5679 9.8331 9.6658 PRESSURE: 2042400 238.142 -135.907 4.33212 -135.906 198.954 39.9807 4.33354 39.9813 140.186 GPRESSURE: 2042400 225.752 -194.407 -66.4778 -80.6666 236.047 -43.524 101.39 128.949 200.391 PRESSAVG: 2042400 28.2127 22.7261 -50.9442 22.726 6.32094 -10.8012 -50.9442 -10.8012 -4.18441 GPRESSAVG: 2042400 26.2418 22.0792 -49.2522 22.3398 5.74275 -12.3546 -48.7442 -11.8058 -1.35928 TIMING: 2042400 CPU: 6099.29, 0.00299151/step Wall: 6099.29, 0.00299151/step, 2.45769 hours remaining, 207.289062 MB of memory in use. ENERGY: 2042400 733.8839 2091.1321 1945.7015 112.2804 -207145.9810 18265.6949 0.0000 0.0000 34265.7902 -149731.4980 299.2517 -183997.2882 -149634.0321 297.9309 192.4274 220.7298 556966.9669 10.1164 10.2084 PRESSURE: 2042600 98.9787 -17.5557 -28.0619 -17.5564 7.82162 -7.41457 -28.0625 -7.41622 199.08 GPRESSURE: 2042600 122.445 -9.44237 68.8946 20.4676 27.4102 -40.8447 -22.7439 -23.6888 244.303 PRESSAVG: 2042600 -35.943 -16.6889 12.3744 -16.6889 89.2865 -51.8478 12.3743 -51.8477 -8.98535 GPRESSAVG: 2042600 -36.6461 -13.6944 10.8403 -16.191 89.7698 -50.909 10.1916 -50.1211 -9.08408 TIMING: 2042600 CPU: 6099.89, 0.00301545/step Wall: 6099.89, 0.00301545/step, 2.47719 hours remaining, 207.289062 MB of memory in use. ENERGY: 2042600 750.1548 2077.1537 1939.3783 112.3019 -206980.6085 18207.7623 0.0000 0.0000 34092.1306 -149801.7268 297.7351 -183893.8574 -149701.9606 298.3789 101.9602 131.3862 557116.0411 14.7861 14.6799 PRESSURE: 2042800 94.9238 -197.405 -121.149 -197.405 -155.244 -57.1288 -121.149 -57.1295 -19.5348 GPRESSURE: 2042800 83.8818 -276.593 -51.2592 -96.9387 -106.275 -58.8319 -78.615 -37.9613 46.4448 PRESSAVG: 2042800 -10.0494 -69.3033 -48.0194 -69.3032 -14.908 16.9954 -48.0194 16.9953 29.9264 GPRESSAVG: 2042800 -8.83212 -71.2899 -47.7652 -69.0475 -15.1067 18.0694 -47.0432 14.8931 29.2222 TIMING: 2042800 CPU: 6100.49, 0.00300003/step Wall: 6100.49, 0.00300003/step, 2.46436 hours remaining, 207.289062 MB of memory in use. ENERGY: 2042800 736.1514 2105.1074 1941.6595 122.2342 -206639.1048 17997.1626 0.0000 0.0000 34008.1668 -149728.6230 297.0018 -183736.7898 -149626.1747 298.3273 -26.6184 8.0172 557877.9429 1.6563 1.7611 PRESSURE: 2043000 -364.297 3.60823 -38.3851 3.60727 -22.2888 146.298 -38.3856 146.297 -127.55 GPRESSURE: 2043000 -367.168 87.8732 -70.9541 -23.9633 -43.8642 36.416 -10.9453 183.829 2.27119 PRESSAVG: 2043000 -8.64256 6.5869 -85.2317 6.58686 19.6769 26.0441 -85.2318 26.044 24.9522 GPRESSAVG: 2043000 -9.20281 6.58688 -85.1745 5.17825 19.9035 23.2648 -84.841 26.6184 25.5375 TIMING: 2043000 CPU: 6101.09, 0.0030142/step Wall: 6101.09, 0.0030142/step, 2.47583 hours remaining, 207.289062 MB of memory in use. ENERGY: 2043000 733.5946 2069.4332 1973.2116 114.9335 -206262.5061 17646.3355 0.0000 0.0000 34040.9606 -149684.0371 297.2882 -183724.9977 -149584.1044 297.9213 -171.3784 -136.2535 557493.9344 11.9955 12.0794 PRESSURE: 2043200 -253.453 -80.28 -225.368 -80.2806 -323.331 -128.326 -225.369 -128.327 -171.697 GPRESSURE: 2043200 -264.219 -104.101 -177.022 -62.3435 -267.614 -103.097 -215.638 -158.462 -114.025 PRESSAVG: 2043200 -64.4293 -52.2286 -75.0453 -52.2286 14.4898 -8.15329 -75.0454 -8.15327 19.5569 GPRESSAVG: 2043200 -65.1046 -50.6296 -74.6315 -50.6413 15.3402 -8.38767 -75.3922 -6.69178 19.1331 TIMING: 2043200 CPU: 6101.7, 0.00301895/step Wall: 6101.7, 0.00301895/step, 2.47957 hours remaining, 207.289062 MB of memory in use. ENERGY: 2043200 711.6711 2087.7542 1935.0940 111.9847 -206055.5849 17465.2857 0.0000 0.0000 34023.5958 -149720.1992 297.1365 -183743.7950 -149621.7119 298.2004 -249.4935 -215.2862 557555.4114 -10.1275 -10.2104 PRESSURE: 2043400 -76.2879 -91.206 -57.8374 -91.2055 194.016 -189.587 -57.8389 -189.586 68.0102 GPRESSURE: 2043400 -71.7354 -54.9401 -69.9343 -69.981 218.574 -211.393 -102.273 -57.3109 121.161 PRESSAVG: 2043400 -51.4485 -42.845 -28.4766 -42.845 6.72611 30.9597 -28.4766 30.9598 -3.85662 GPRESSAVG: 2043400 -50.1269 -44.3749 -27.6247 -43.0919 5.61553 31.8334 -28.4283 30.4129 -4.10522 TIMING: 2043400 CPU: 6102.3, 0.00302659/step Wall: 6102.3, 0.00302659/step, 2.48567 hours remaining, 207.289062 MB of memory in use. ENERGY: 2043400 690.7048 2073.0408 1920.9281 107.6780 -206220.0885 17752.3307 0.0000 0.0000 34051.3242 -149624.0819 297.3787 -183675.4061 -149532.7110 298.2252 61.9129 89.3330 557196.7129 -16.1930 -16.2055 PRESSURE: 2043600 214.323 94.1047 159.919 94.1043 -165.503 88.9277 159.92 88.9273 -42.7218 GPRESSURE: 2043600 287.192 121.8 53.7768 25.561 -142.459 76.186 130.519 14.1587 -27.2076 PRESSAVG: 2043600 -38.5856 -18.0238 6.57659 -18.0237 -0.0653064 -3.17996 6.57651 -3.18004 -8.7847 GPRESSAVG: 2043600 -38.265 -18.4781 5.89384 -17.7761 -0.567388 -2.34332 7.24838 -2.36575 -8.25853 TIMING: 2043600 CPU: 6102.91, 0.00302988/step Wall: 6102.91, 0.00302988/step, 2.4882 hours remaining, 207.289062 MB of memory in use. ENERGY: 2043600 703.6490 2132.1163 1941.3342 105.0155 -206349.2151 17822.1707 0.0000 0.0000 34053.0384 -149591.8910 297.3937 -183644.9294 -149503.6707 298.0063 2.0325 39.1753 556798.2298 -15.8119 -15.6970 PRESSURE: 2043800 360.608 -119.832 -14.9233 -119.832 152.651 -17.0332 -14.9236 -17.0343 -210.279 GPRESSURE: 2043800 390.915 -158.256 -28.878 -132.171 184.287 80.8279 -6.57526 -17.2018 -172.455 PRESSAVG: 2043800 18.9506 -30.5776 41.2636 -30.5776 0.235275 -9.20366 41.2637 -9.20372 -16.5861 GPRESSAVG: 2043800 18.0353 -30.8962 41.4713 -29.3533 0.863079 -8.14995 40.8955 -11.1111 -16.49 TIMING: 2043800 CPU: 6103.51, 0.00302262/step Wall: 6103.51, 0.00302262/step, 2.48208 hours remaining, 207.289062 MB of memory in use. ENERGY: 2043800 726.5319 2095.7420 1943.2631 120.5407 -206447.8896 17804.4853 0.0000 0.0000 34215.1780 -149542.1487 298.8097 -183757.3267 -149442.3138 297.8582 100.9934 134.2489 555387.6563 0.8666 0.8028 PRESSURE: 2044000 5.77198 60.1859 -6.50289 60.1854 115.278 -52.4174 -6.50193 -52.4178 21.7675 GPRESSURE: 2044000 0.250296 144.318 -153.039 -32.2286 144.611 -57.8712 64.0736 -59.7187 90.6181 PRESSAVG: 2044000 74.3754 -30.6397 -4.3992 -30.6397 50.9513 -18.499 -4.39924 -18.499 -69.5778 GPRESSAVG: 2044000 74.9528 -29.9057 -5.167 -31.6666 51.3193 -20.8842 -2.86941 -17.3618 -70.841 TIMING: 2044000 CPU: 6104.12, 0.00301745/step Wall: 6104.12, 0.00301745/step, 2.47766 hours remaining, 207.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2044000 749.4997 2085.0716 1952.1485 105.1479 -205973.3218 17668.3342 0.0000 0.0000 34030.6848 -149382.4352 297.1984 -183413.1200 -149293.4013 298.8989 47.6058 78.4930 555753.2224 18.5829 18.4770 PRESSURE: 2044200 52.3124 -60.1292 25.9669 -60.1284 -127.512 -62.2936 25.9665 -62.293 -64.7629 GPRESSURE: 2044200 91.3361 -59.2924 128.326 -107.67 -68.2842 -38.9893 -61.2704 -126.831 -64.3873 PRESSAVG: 2044200 52.5731 7.12696 46.087 7.12688 -50.1231 2.96106 46.087 2.96112 0.511544 GPRESSAVG: 2044200 53.2817 7.80515 47.5287 7.60443 -50.9861 5.18274 43.9583 1.26813 0.141439 TIMING: 2044200 CPU: 6104.72, 0.00299958/step Wall: 6104.72, 0.00299958/step, 2.46282 hours remaining, 207.289062 MB of memory in use. ENERGY: 2044200 764.6826 2069.9690 1924.9585 114.0535 -206162.2393 17794.0795 0.0000 0.0000 34214.7809 -149279.7153 298.8062 -183494.4962 -149178.8231 299.7053 -46.6543 -13.7785 557195.6807 0.9872 0.8123 LDB: ============= START OF LOAD BALANCING ============== 6108.27 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6108.27 LDB: =============== DONE WITH MIGRATION ================ 6108.27 LDB: ============= START OF LOAD BALANCING ============== 6108.57 LDB: Largest compute 4773 load 0.028423 is 24.0% of average load 0.118218 LDB: Average compute 0.001733 is 1.5% of average load 0.118218 LDB: TIME 6108.57 LOAD: AVG 0.118218 MAX 0.212092 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 6108.58 LOAD: AVG 0.118218 MAX 0.212092 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.957 MB LDB: TIME 6108.58 LOAD: AVG 0.118218 MAX 0.212092 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.957 MB LDB: ============== END OF LOAD BALANCING =============== 6108.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6108.58 PRESSURE: 2044400 -77.4919 63.3913 46.7348 63.3913 -17.6367 -69.4003 46.7329 -69.4003 -212.342 GPRESSURE: 2044400 0.980285 39.0269 42.9704 50.974 29.0633 -46.5071 48.7811 -98.1431 -232.81 PRESSAVG: 2044400 -31.6412 20.4881 61.6957 20.4882 64.978 18.1982 61.6957 18.1982 -11.8 GPRESSAVG: 2044400 -32.5233 21.4986 61.6165 18.5575 64.9569 15.7432 61.4781 19.03 -11.7266 TIMING: 2044400 CPU: 6105.33, 0.00307099/step Wall: 6105.33, 0.00307099/step, 2.52128 hours remaining, 207.226562 MB of memory in use. ENERGY: 2044400 757.2848 2106.6042 1950.6259 114.6022 -206051.4165 17641.3922 0.0000 0.0000 34257.2943 -149223.6129 299.1775 -183480.9072 -149126.4857 300.2013 -102.4901 -67.5889 556349.4990 7.1789 6.9023 PRESSURE: 2044600 78.0687 -134.002 -48.5035 -134.003 -106.415 98.7531 -48.5036 98.7543 103.806 GPRESSURE: 2044600 110.581 -157.502 -77.4395 -57.674 -76.5465 52.4553 -82.7594 61.9805 126.864 PRESSAVG: 2044600 52.0119 -11.654 -1.76541 -11.654 -5.05588 -7.52652 -1.76543 -7.52656 -1.15661 GPRESSAVG: 2044600 52.3115 -11.8814 -0.814465 -9.73965 -4.88471 -7.36664 -1.39675 -5.98902 -1.81285 TIMING: 2044600 CPU: 6105.94, 0.00302488/step Wall: 6105.94, 0.00302488/step, 2.48326 hours remaining, 207.226562 MB of memory in use. ENERGY: 2044600 731.2915 2078.0991 1967.4289 111.3763 -206413.4772 17832.4395 0.0000 0.0000 34466.7403 -149226.1015 301.0066 -183692.8418 -149121.5051 300.1702 25.1531 53.6328 555349.8732 15.2665 15.2046 PRESSURE: 2044800 -144.348 -105.468 85.2076 -105.468 -5.86097 -13.63 85.2075 -13.6311 -143.657 GPRESSURE: 2044800 -91.1867 -105.752 120.146 -40.959 9.9567 -57.8034 22.7486 10.4409 -121.719 PRESSAVG: 2044800 50.7304 -34.6405 -27.2864 -34.6404 -120.988 22.3029 -27.2864 22.303 60.8253 GPRESSAVG: 2044800 51.264 -33.7188 -29.7345 -36.7784 -122.741 23.5854 -25.8791 20.195 61.7492 TIMING: 2044800 CPU: 6106.54, 0.00303741/step Wall: 6106.54, 0.00303741/step, 2.49338 hours remaining, 207.226562 MB of memory in use. ENERGY: 2044800 761.3349 2112.2549 1962.5917 104.0884 -206147.3370 17691.3842 0.0000 0.0000 34286.7016 -149228.9814 299.4343 -183515.6830 -149131.4530 300.1628 -97.9553 -67.6498 556666.5345 -3.1441 -3.2426 PRESSURE: 2045000 25.8269 -95.0444 -11.4766 -95.0446 -70.1202 -69.6709 -11.4768 -69.6713 -189.463 GPRESSURE: 2045000 84.3433 -42.2588 24.6794 -149.727 -87.2304 -4.94035 -105.15 -173.407 -139.044 PRESSAVG: 2045000 39.2248 28.1011 -20.3819 28.1011 -51.551 19.0109 -20.3819 19.0108 20.2105 GPRESSAVG: 2045000 38.7804 27.0561 -18.6411 28.9334 -50.4596 16.805 -22.8782 19.5755 19.5724 TIMING: 2045000 CPU: 6107.15, 0.00303285/step Wall: 6107.15, 0.00303285/step, 2.48946 hours remaining, 207.226562 MB of memory in use. ENERGY: 2045000 744.9914 2096.9336 1925.2940 111.0524 -206035.9822 17573.4758 0.0000 0.0000 34316.2755 -149267.9595 299.6926 -183584.2350 -149176.5187 299.2907 -77.9187 -47.3104 556428.9954 2.6281 2.6311 PRESSURE: 2045200 -205.354 198.663 -115.944 198.662 -54.6495 -37.3366 -115.944 -37.3362 -57.6642 GPRESSURE: 2045200 -211.126 156.372 -40.9631 174.301 -16.9981 -37.0459 -105.24 -11.8757 17.1908 PRESSAVG: 2045200 -4.44742 -15.836 -27.7766 -15.8359 -27.4488 -2.71287 -27.7767 -2.71297 35.5543 GPRESSAVG: 2045200 -5.80338 -14.8909 -28.7867 -16.6644 -28.3629 -0.321387 -26.6186 -2.8093 37.1029 TIMING: 2045200 CPU: 6107.75, 0.00299453/step Wall: 6107.75, 0.00299453/step, 2.45784 hours remaining, 207.226562 MB of memory in use. ENERGY: 2045200 744.3423 2065.7881 1930.8026 121.9313 -206079.5895 17721.1752 0.0000 0.0000 34327.9035 -149167.6465 299.7941 -183495.5500 -149071.4062 299.3542 -105.8891 -70.3112 556318.8135 1.2194 0.9789 PRESSURE: 2045400 -153.773 -96.102 -39.4159 -96.1018 123.666 60.1078 -39.4161 60.1075 334.458 GPRESSURE: 2045400 -128.728 -126.201 -48.0224 -125.464 182.566 119.312 -39.4997 -49.09 358.628 PRESSAVG: 2045400 -127.872 -40.6455 43.4608 -40.6455 70.2512 4.36124 43.4607 4.36121 52.0622 GPRESSAVG: 2045400 -127.262 -41.6215 44.3124 -39.9995 71.2711 4.61156 43.8787 3.02645 50.2253 TIMING: 2045400 CPU: 6108.35, 0.00299133/step Wall: 6108.35, 0.00299133/step, 2.45505 hours remaining, 207.226562 MB of memory in use. ENERGY: 2045400 721.0616 2102.1275 1914.4954 106.5378 -206330.7079 17854.8501 0.0000 0.0000 34537.0564 -149094.5792 301.6207 -183631.6356 -148993.3262 300.0777 101.4503 137.4886 557056.6305 -1.8528 -1.9219 PRESSURE: 2045600 22.1888 -158.366 31.6043 -158.366 53.535 -154.467 31.6047 -154.468 70.816 GPRESSURE: 2045600 79.3048 -223.447 -31.5426 -130.541 99.2357 -168.941 23.3386 -108.783 62.4164 PRESSAVG: 2045600 0.474428 -49.7095 63.8808 -49.7096 -31.7834 -16.7836 63.8808 -16.7836 56.8781 GPRESSAVG: 2045600 -0.476127 -47.967 62.5674 -50.7022 -32.7128 -19.6307 63.5841 -15.1686 58.0794 TIMING: 2045600 CPU: 6108.95, 0.00298916/step Wall: 6108.95, 0.00298916/step, 2.45311 hours remaining, 207.226562 MB of memory in use. ENERGY: 2045600 731.1852 2099.8352 1909.2627 125.5567 -206130.5079 17684.5484 0.0000 0.0000 34352.0745 -149228.0452 300.0052 -183580.1198 -149129.6082 299.7701 48.8466 80.3189 556287.2389 8.5231 8.2968 PRESSURE: 2045800 -225.429 -185.561 -1.56077 -185.561 178.594 10.764 -1.55998 10.7639 89.4834 GPRESSURE: 2045800 -163.191 -176.768 -14.1807 -212.912 190.035 56.9977 20.7863 23.3595 117.028 PRESSAVG: 2045800 -2.28332 -10.32 51.4377 -10.32 18.5759 -19.6424 51.4377 -19.6424 -30.662 GPRESSAVG: 2045800 -0.01593 -12.2584 54.378 -9.75384 18.8057 -18.8776 50.0953 -17.6286 -31.8621 TIMING: 2045800 CPU: 6109.55, 0.00299899/step Wall: 6109.55, 0.00299899/step, 2.461 hours remaining, 207.226562 MB of memory in use. ENERGY: 2045800 734.1268 2086.9981 1936.3864 118.4029 -206303.8941 17938.9102 0.0000 0.0000 34241.1562 -149247.9136 299.0365 -183489.0698 -149152.5494 299.0227 14.2161 47.9573 557411.2222 -4.7898 -4.3574 PRESSURE: 2046000 51.6625 2.38344 -48.7057 2.38407 -98.1197 -209.366 -48.705 -209.365 275.233 GPRESSURE: 2046000 120.275 20.2114 -88.3731 -26.636 -67.2723 -130.116 -62.6647 -274.069 276.571 PRESSAVG: 2046000 32.7527 -30.4256 40.8529 -30.4256 -21.6523 13.227 40.8528 13.2271 -39.1051 GPRESSAVG: 2046000 31.3282 -30.5779 37.6788 -29.4856 -21.4878 12.6439 41.3294 10.9976 -38.3103 TIMING: 2046000 CPU: 6110.15, 0.00303071/step Wall: 6110.15, 0.00303071/step, 2.48687 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2046000 720.4424 2060.6911 1927.6521 103.0453 -206291.1790 17963.4776 0.0000 0.0000 34291.6020 -149224.2685 299.4771 -183515.8705 -149124.3423 299.6064 76.2587 109.8581 557972.8722 -9.3349 -9.4900 PRESSURE: 2046200 -129.33 61.7262 280.145 61.7256 134.01 -66.3881 280.146 -66.3878 162.606 GPRESSURE: 2046200 -67.4132 4.99072 246.22 25.2542 162.706 32.8326 281.774 -102.427 165.489 PRESSAVG: 2046200 9.77639 -6.37725 40.234 -6.37722 11.287 -50.8143 40.2339 -50.8142 -49.3581 GPRESSAVG: 2046200 9.73134 -3.68163 37.8946 -7.06531 10.7152 -52.1065 42.1393 -49.4718 -48.8347 TIMING: 2046200 CPU: 6110.76, 0.00302524/step Wall: 6110.76, 0.00302523/step, 2.48221 hours remaining, 207.226562 MB of memory in use. ENERGY: 2046200 737.4865 2045.2378 1949.8241 102.7466 -205968.7498 17834.6717 0.0000 0.0000 34228.1665 -149070.6166 298.9231 -183298.7831 -148968.6265 299.1946 55.7619 86.9270 558140.7069 -9.4316 -9.4627 PRESSURE: 2046400 -109.772 85.7143 104.107 85.7148 -109.472 -1.96288 104.106 -1.96286 -63.1435 GPRESSURE: 2046400 -91.0763 132.133 45.1407 14.4661 -44.0927 -45.5283 125.996 -29.6157 -39.1951 PRESSAVG: 2046400 -1.78275 27.5819 19.6216 27.582 32.7756 15.6568 19.6216 15.6568 -54.2925 GPRESSAVG: 2046400 -2.41867 26.1138 22.8566 27.172 33.524 18.7346 16.4046 14.3457 -54.4138 TIMING: 2046400 CPU: 6111.36, 0.0030324/step Wall: 6111.36, 0.0030324/step, 2.48791 hours remaining, 207.226562 MB of memory in use. ENERGY: 2046400 778.4219 2090.5627 1920.6658 102.3424 -205906.3054 17802.3444 0.0000 0.0000 34058.5914 -149153.3768 297.4421 -183211.9682 -149060.6920 299.8457 -94.1290 -58.1213 558640.3573 -7.7665 -7.7695 PRESSURE: 2046600 -80.5907 223.93 -70.3291 223.929 -77.366 1.09809 -70.3307 1.0991 -187.498 GPRESSURE: 2046600 -42.8445 161.101 -40.5568 214.531 -75.5693 5.4425 -134.003 98.4037 -128.492 PRESSAVG: 2046600 -44.4905 3.45674 -36.3202 3.45677 35.4677 16.3472 -36.3202 16.3472 -5.03985 GPRESSAVG: 2046600 -43.7611 1.58075 -36.2927 5.84122 35.1368 12.6643 -33.1743 17.2811 -5.63259 TIMING: 2046600 CPU: 6111.96, 0.00300662/step Wall: 6111.96, 0.00300662/step, 2.46659 hours remaining, 207.226562 MB of memory in use. ENERGY: 2046600 732.7008 2066.6433 1941.1602 107.4929 -205883.5991 17705.6369 0.0000 0.0000 34162.4974 -149167.4676 298.3496 -183329.9650 -149066.5133 299.4851 -115.1516 -82.3018 558835.0491 -4.6875 -4.7523 PRESSURE: 2046800 37.5161 -99.7508 104.733 -99.7529 -14.9415 -133.613 104.732 -133.614 88.5725 GPRESSURE: 2046800 76.5112 -86.353 144.11 -127.689 54.0983 -80.3343 -43.6053 -101.62 88.0796 PRESSAVG: 2046800 13.3935 -13.9915 43.1005 -13.9915 13.1626 -34.6999 43.1004 -34.7001 12.0549 GPRESSAVG: 2046800 12.8139 -12.0355 45.1255 -15.8018 14.2145 -33.4131 41.4192 -34.9239 11.8939 TIMING: 2046800 CPU: 6112.57, 0.00301798/step Wall: 6112.57, 0.00301798/step, 2.47575 hours remaining, 207.226562 MB of memory in use. ENERGY: 2046800 726.1875 2012.5920 1956.7301 116.1799 -206129.7504 17757.9683 0.0000 0.0000 34406.4465 -149153.6462 300.4801 -183560.0926 -149056.6120 298.9756 37.0490 72.8963 556829.9419 12.8703 12.9741 PRESSURE: 2047000 -260.492 42.4194 17.2083 42.4199 -42.9682 -5.9189 17.2069 -5.91888 -60.9236 GPRESSURE: 2047000 -233.849 22.4589 115.562 63.7035 2.86915 66.125 46.4093 -23.6428 -31.7601 PRESSAVG: 2047000 30.9981 -21.2581 47.4095 -21.258 14.1358 -1.35838 47.4094 -1.35844 2.47862 GPRESSAVG: 2047000 31.3217 -22.3772 45.7685 -20.1282 12.9152 0.853732 49.4731 -2.8118 3.27756 TIMING: 2047000 CPU: 6113.16, 0.00297921/step Wall: 6113.16, 0.00297921/step, 2.44378 hours remaining, 207.226562 MB of memory in use. ENERGY: 2047000 721.4823 2095.7113 1917.8343 90.2820 -206175.2099 17713.4954 0.0000 0.0000 34427.9655 -149208.4392 300.6680 -183636.4047 -149112.7074 299.3709 -121.4613 -87.5801 558653.2008 15.8708 15.8382 PRESSURE: 2047200 -155.682 65.613 20.3271 65.6131 3.52912 -49.2889 20.3261 -49.288 133.332 GPRESSURE: 2047200 -115.901 29.9928 66.5396 90.0785 55.8292 -41.0045 -8.66207 -47.6267 129.39 PRESSAVG: 2047200 -0.921801 27.1759 41.9746 27.176 -2.31882 62.2172 41.9746 62.2172 18.2038 GPRESSAVG: 2047200 0.649287 27.4067 43.0112 26.7327 -2.88599 61.8522 40.9501 63.2751 17.3902 TIMING: 2047200 CPU: 6113.76, 0.00297878/step Wall: 6113.76, 0.00297878/step, 2.44326 hours remaining, 207.226562 MB of memory in use. ENERGY: 2047200 761.9958 2143.1116 1929.8583 113.7775 -206524.5150 17784.3355 0.0000 0.0000 34325.9283 -149465.5080 299.7769 -183791.4363 -149373.1410 299.5247 -6.2737 23.1061 555613.0008 4.9877 5.0512 PRESSURE: 2047400 184.569 -75.8585 4.8257 -75.8586 83.9358 -39.0297 4.82526 -39.0291 321.477 GPRESSURE: 2047400 218.819 -132.403 3.25959 -162.287 102.049 -69.7889 37.0083 24.8134 382.944 PRESSAVG: 2047400 -20.5643 -42.6768 2.79079 -42.6768 -10.7097 7.36612 2.79083 7.36625 17.8031 GPRESSAVG: 2047400 -21.1672 -43.535 2.06165 -41.8804 -9.30944 6.06063 3.47775 7.60353 17.5038 TIMING: 2047400 CPU: 6114.36, 0.00299275/step Wall: 6114.36, 0.00299275/step, 2.45455 hours remaining, 207.226562 MB of memory in use. ENERGY: 2047400 740.8005 2049.4341 1939.2501 117.9131 -206395.1639 17944.4747 0.0000 0.0000 34192.0633 -149411.2281 298.6078 -183603.2914 -149311.5520 299.0016 196.6607 234.6041 555435.1937 -4.4903 -4.3243 PRESSURE: 2047600 30.8528 -116.564 94.2352 -116.564 -286.908 -16.6791 94.2334 -16.6789 -24.5426 GPRESSURE: 2047600 92.8715 -75.9599 67.1371 -37.1044 -246.393 -31.3094 147.549 26.1221 -25.3176 PRESSAVG: 2047600 18.3959 3.94946 44.3134 3.94946 -2.71049 -16.5143 44.3134 -16.5142 -11.7033 GPRESSAVG: 2047600 17.3606 5.26989 41.6438 3.01682 -2.38025 -16.4193 44.3997 -15.1482 -11.7881 TIMING: 2047600 CPU: 6114.95, 0.00298156/step Wall: 6114.95, 0.00298156/step, 2.44521 hours remaining, 207.226562 MB of memory in use. ENERGY: 2047600 734.3792 2076.1272 1921.3891 105.5320 -206035.8677 17496.0790 0.0000 0.0000 34410.2791 -149292.0822 300.5135 -183702.3613 -149202.1171 299.1373 -93.5327 -59.6129 557732.2481 1.3274 1.0641 PRESSURE: 2047800 -166.846 64.8327 -89.1739 64.8346 -159.12 -82.265 -89.1738 -82.2638 50.2613 GPRESSURE: 2047800 -130.632 66.4915 -67.4701 98.2532 -142.839 70.3212 -145.364 -154.048 100.389 PRESSAVG: 2047800 20.5083 0.58343 -33.6459 0.583513 -29.8786 13.0085 -33.646 13.0085 24.9106 GPRESSAVG: 2047800 21.1374 1.38054 -31.6638 -0.281527 -31.1577 14.3687 -34.0653 11.9372 25.8316 TIMING: 2047800 CPU: 6115.55, 0.00297465/step Wall: 6115.55, 0.00297465/step, 2.43938 hours remaining, 207.226562 MB of memory in use. ENERGY: 2047800 737.5473 2022.6641 1923.6127 116.0144 -206052.1422 17563.8618 0.0000 0.0000 34467.8250 -149220.6169 301.0161 -183688.4419 -149117.1059 299.5638 -91.9016 -57.6939 556557.2940 5.1801 5.2704 PRESSURE: 2048000 387.971 -63.3459 -109.252 -63.3463 -246.522 173.636 -109.254 173.637 -10.9025 GPRESSURE: 2048000 430.061 -101.305 -98.4249 -44.5188 -222.111 209.826 -62.6751 39.2751 23.6449 PRESSAVG: 2048000 -19.3526 -17.1077 -50.3663 -17.1077 16.0955 -36.3525 -50.3663 -36.3524 1.73865 GPRESSAVG: 2048000 -20.2106 -17.4012 -47.1429 -15.7205 17.4152 -37.464 -52.4109 -36.7477 1.22533 TIMING: 2048000 CPU: 6116.15, 0.00299663/step Wall: 6116.15, 0.00299663/step, 2.45723 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2048000 734.7067 2098.9527 1912.3156 126.3464 -206279.2660 17842.8367 0.0000 0.0000 34179.1768 -149384.9312 298.4953 -183564.1080 -149299.0370 299.8065 43.5155 77.1986 556870.8980 -0.5062 -0.5234 PRESSURE: 2048200 17.7459 -46.6847 -170.636 -46.6826 -175.638 44.2769 -170.637 44.2781 -182.7 GPRESSURE: 2048200 77.9485 -11.4045 -139.078 -127.834 -142.117 -23.3485 -207.501 125.622 -181.88 PRESSAVG: 2048200 8.8465 6.95132 -0.361904 6.95131 -4.13404 -4.01808 -0.361904 -4.01811 -29.2061 GPRESSAVG: 2048200 9.33586 5.98282 -2.59522 5.52135 -3.77211 -2.84417 0.0437429 -4.2951 -30.0738 TIMING: 2048200 CPU: 6116.76, 0.00306282/step Wall: 6116.76, 0.00306282/step, 2.51135 hours remaining, 207.226562 MB of memory in use. ENERGY: 2048200 761.5113 2078.0493 1921.8005 110.8755 -206362.7217 17717.7046 0.0000 0.0000 34469.3419 -149303.4388 301.0293 -183772.7807 -149207.0336 299.5708 -113.5307 -82.0160 556911.5007 -8.1646 -8.1700 LDB: ============= START OF LOAD BALANCING ============== 6120.32 LDB: ============== END OF LOAD BALANCING =============== 6120.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6120.32 LDB: ============= START OF LOAD BALANCING ============== 6120.63 LDB: Largest compute 4773 load 0.028209 is 23.9% of average load 0.118133 LDB: Average compute 0.001738 is 1.5% of average load 0.118133 LDB: TIME 6120.63 LOAD: AVG 0.118133 MAX 0.213415 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.16 MB LDB: TIME 6120.63 LOAD: AVG 0.118133 MAX 0.213415 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.363 MB LDB: TIME 6120.63 LOAD: AVG 0.118133 MAX 0.213415 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.363 MB LDB: ============== END OF LOAD BALANCING =============== 6120.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6120.64 PRESSURE: 2048400 -116.917 29.9407 -116.89 29.9405 55.9731 17.5714 -116.89 17.5719 -86.8581 GPRESSURE: 2048400 -111.799 8.13821 -138.517 37.6174 68.3611 14.6459 -67.6529 113.837 -18.9521 PRESSAVG: 2048400 -35.3927 31.8648 -4.50443 31.8648 68.6284 26.9953 -4.50441 26.9953 -59.1826 GPRESSAVG: 2048400 -35.4031 31.9727 -6.23484 32.4927 67.4297 25.9056 -2.60515 27.2208 -57.2652 TIMING: 2048400 CPU: 6117.39, 0.00313376/step Wall: 6117.39, 0.00313376/step, 2.56934 hours remaining, 207.675781 MB of memory in use. ENERGY: 2048400 749.7885 2030.2591 1921.6837 113.1751 -206301.7800 17807.0826 0.0000 0.0000 34416.1793 -149263.6119 300.5651 -183679.7912 -149164.9589 299.4690 -49.2675 -20.7966 557208.3997 -8.6490 -8.4129 PRESSURE: 2048600 264.811 72.4224 41.1149 72.4213 10.1272 -98.8214 41.1142 -98.8219 -95.7949 GPRESSURE: 2048600 284.171 180.505 94.1153 -3.24411 58.5905 -58.2331 50.4044 -179.372 -64.3608 PRESSAVG: 2048600 14.6737 64.1645 -23.5358 64.1644 3.21347 36.416 -23.5358 36.416 -69.9696 GPRESSAVG: 2048600 14.7775 64.9706 -22.4397 61.0071 3.53537 37.6176 -24.9674 37.0515 -70.5272 TIMING: 2048600 CPU: 6117.99, 0.00302396/step Wall: 6117.99, 0.00302396/step, 2.47915 hours remaining, 207.746094 MB of memory in use. ENERGY: 2048600 752.3052 2039.6619 1928.5348 111.9122 -206103.3154 17959.0118 0.0000 0.0000 34119.5357 -149192.3539 297.9744 -183311.8895 -149095.7660 299.6142 59.7143 92.8003 557575.2917 -17.3608 -17.4048 PRESSURE: 2048800 -335.143 168.491 39.3513 168.491 -221.16 5.61148 39.351 5.61186 -265.924 GPRESSURE: 2048800 -332.886 114.561 5.81673 204.638 -109.3 8.9532 95.2154 -30.34 -294.476 PRESSAVG: 2048800 -7.27295 -21.2478 -3.65266 -21.2479 30.1323 37.3448 -3.6527 37.3448 -63.0824 GPRESSAVG: 2048800 -7.26774 -20.5486 -4.46242 -19.8867 30.227 35.8192 -3.28351 37.8974 -63.4971 TIMING: 2048800 CPU: 6118.6, 0.00301538/step Wall: 6118.6, 0.00301538/step, 2.47194 hours remaining, 207.746094 MB of memory in use. ENERGY: 2048800 771.2609 2036.2078 1934.9114 103.3925 -205767.0997 17540.3043 0.0000 0.0000 34229.1855 -149151.8372 298.9320 -183381.0227 -149053.3456 299.6735 -274.0754 -245.5541 558439.6148 -13.4077 -13.5126 PRESSURE: 2049000 -165.39 164.015 -72.3418 164.014 -218.343 -237.028 -72.3396 -237.029 100.826 GPRESSURE: 2049000 -203.298 203.544 36.9466 117.74 -134.757 -229.195 -50.9535 -206.615 138.413 PRESSAVG: 2049000 -15.9418 0.273077 -11.135 0.272932 24.0994 -63.9118 -11.1349 -63.9119 -29.7055 GPRESSAVG: 2049000 -16.8229 -0.230079 -10.1738 2.54892 24.6206 -63.3007 -11.6171 -65.8587 -29.3 TIMING: 2049000 CPU: 6119.2, 0.00300305/step Wall: 6119.2, 0.00300305/step, 2.46167 hours remaining, 207.746094 MB of memory in use. ENERGY: 2049000 756.2867 2091.6798 1926.4841 115.0025 -205755.8302 17729.8310 0.0000 0.0000 34064.1986 -149072.3475 297.4911 -183136.5461 -148977.3146 299.2665 -94.3022 -66.5473 558822.9455 -7.1826 -7.1674 PRESSURE: 2049200 34.3263 37.1156 -91.2501 37.1155 145.877 -106.207 -91.2495 -106.207 67.3989 GPRESSURE: 2049200 86.5113 73.8441 -177.42 -34.4194 161.758 -61.1603 -56.905 -162.498 70.0964 PRESSAVG: 2049200 8.68294 -5.98202 6.96993 -5.98201 7.36288 -52.2965 6.96993 -52.2966 7.33028 GPRESSAVG: 2049200 9.10143 -6.35616 7.55808 -7.78892 8.56602 -52.8706 6.98934 -50.714 6.14268 TIMING: 2049200 CPU: 6119.79, 0.00298417/step Wall: 6119.79, 0.00298417/step, 2.44603 hours remaining, 207.746094 MB of memory in use. ENERGY: 2049200 732.3063 2128.9494 1905.1823 110.0742 -206060.4086 17900.3744 0.0000 0.0000 34123.5238 -149159.9981 298.0092 -183283.5219 -149062.8249 299.0151 82.5339 106.1220 557770.9742 7.7920 7.9367 PRESSURE: 2049400 -146.672 26.6965 -266.59 26.6967 -185.592 -94.6781 -266.589 -94.678 -226.157 GPRESSURE: 2049400 -99.0434 59.4854 -324.266 -16.6914 -165.448 -43.0738 -259.732 -132.946 -192.575 PRESSAVG: 2049400 -16.7265 -19.1036 -48.1464 -19.1036 30.1524 -28.3955 -48.1462 -28.3956 10.3108 GPRESSAVG: 2049400 -15.8391 -19.124 -49.7608 -18.6239 29.0902 -27.4562 -47.3957 -29.4372 10.2019 TIMING: 2049400 CPU: 6120.39, 0.00298783/step Wall: 6120.39, 0.00298783/step, 2.44886 hours remaining, 207.753906 MB of memory in use. ENERGY: 2049400 752.3574 2112.6618 1929.9323 115.5425 -205840.4451 17478.2365 0.0000 0.0000 34212.7506 -149238.9640 298.7885 -183451.7146 -149147.7760 299.3787 -186.1402 -152.3553 558059.2744 7.9122 7.8177 PRESSURE: 2049600 33.6971 54.4534 -155.036 54.4556 114.359 73.353 -155.036 73.3511 -104.713 GPRESSURE: 2049600 48.622 32.9798 -153.58 74.3706 168.857 127.68 -131.379 90.8816 -86.5615 PRESSAVG: 2049600 8.82183 -5.17669 -38.8748 -5.1766 2.08115 -24.8357 -38.8748 -24.8357 16.4733 GPRESSAVG: 2049600 8.68355 -7.69138 -37.144 -4.78961 1.9821 -25.7331 -39.4561 -24.9709 16.7168 TIMING: 2049600 CPU: 6120.99, 0.0030035/step Wall: 6120.99, 0.0030035/step, 2.46153 hours remaining, 207.753906 MB of memory in use. ENERGY: 2049600 742.4663 2034.2270 1939.3686 105.0136 -206392.5748 17977.4174 0.0000 0.0000 34240.6348 -149353.4470 299.0320 -183594.0818 -149258.0737 299.6857 14.4477 43.6390 557818.5572 9.1254 9.1275 PRESSURE: 2049800 20.8997 72.8901 73.9067 72.8903 -66.1892 -114.948 73.9059 -114.947 -303.132 GPRESSURE: 2049800 19.5193 50.4263 -0.363352 74.9587 -48.0193 -103.871 114.083 -31.3993 -229.604 PRESSAVG: 2049800 0.545282 -41.423 -15.9695 -41.4231 20.9274 -29.4524 -15.9696 -29.4524 15.1939 GPRESSAVG: 2049800 -0.0637125 -38.8863 -16.7352 -41.822 21.0128 -29.9894 -16.3156 -27.3003 16.3653 TIMING: 2049800 CPU: 6121.59, 0.0029825/step Wall: 6121.59, 0.0029825/step, 2.44416 hours remaining, 207.753906 MB of memory in use. ENERGY: 2049800 775.6858 2090.9111 1958.4361 107.0216 -206338.0613 17797.6894 0.0000 0.0000 34266.7260 -149341.5913 299.2598 -183608.3173 -149246.6208 298.3143 -116.1406 -86.0346 557667.6573 12.2222 12.4381 PRESSURE: 2050000 -202.681 -213.403 67.8709 -213.403 -105.864 -24.7993 67.8707 -24.7992 -210.446 GPRESSURE: 2050000 -156.322 -244.842 27.5205 -220.493 -150.482 5.85383 113.751 -96.3238 -118.214 PRESSAVG: 2050000 -47.9063 -39.7746 27.5127 -39.7746 7.69987 20.8612 27.5126 20.8613 -11.2031 GPRESSAVG: 2050000 -46.8886 -40.6415 28.614 -39.5017 6.99772 21.3224 26.545 18.5013 -11.4032 TIMING: 2050000 CPU: 6122.19, 0.00300655/step Wall: 6122.19, 0.00300655/step, 2.4637 hours remaining, 207.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2050000 715.3347 2077.8857 1917.9049 105.5942 -205577.8770 17535.7415 0.0000 0.0000 33992.3376 -149233.0784 296.8635 -183225.4161 -149131.7254 298.1174 -172.9971 -141.6729 559320.1877 -17.1365 -17.0980 PRESSURE: 2050200 -4.50505 42.3731 71.8914 42.3736 -325.576 12.2267 71.893 12.2267 3.95403 GPRESSURE: 2050200 28.3392 25.5618 35.3926 120.255 -198.116 73.5857 59.0577 -36.8499 -56.5589 PRESSAVG: 2050200 -32.844 -65.1621 12.5002 -65.1622 -10.7354 -19.3981 12.5003 -19.3981 34.6465 GPRESSAVG: 2050200 -34.4829 -66.5116 11.2963 -64.2104 -8.32301 -18.8411 14.2116 -17.3825 33.1106 TIMING: 2050200 CPU: 6122.79, 0.00300355/step Wall: 6122.79, 0.00300355/step, 2.46108 hours remaining, 207.753906 MB of memory in use. ENERGY: 2050200 764.9953 2034.1987 1953.1444 108.6001 -206334.4206 17906.6315 0.0000 0.0000 34238.9842 -149327.8664 299.0176 -183566.8506 -149234.4153 299.0685 -108.7090 -75.4451 559136.2252 -2.9776 -3.2318 PRESSURE: 2050400 49.5546 32.2299 -205.992 32.2297 -203.241 -31.8342 -205.991 -31.8352 -13.8457 GPRESSURE: 2050400 52.7792 -36.84 -195.79 46.2947 -75.1993 -36.5291 -243.663 -49.7543 -35.4327 PRESSAVG: 2050400 15.1724 -22.2117 -9.9253 -22.2117 31.0905 -5.52295 -9.92532 -5.523 -40.749 GPRESSAVG: 2050400 16.1039 -20.227 -8.85084 -22.4227 29.6315 -4.92329 -10.3951 -7.97223 -39.6454 TIMING: 2050400 CPU: 6123.39, 0.00300392/step Wall: 6123.39, 0.00300392/step, 2.46121 hours remaining, 207.753906 MB of memory in use. ENERGY: 2050400 706.3069 2055.1692 1952.5747 109.4079 -206254.1350 17839.4616 0.0000 0.0000 34228.0003 -149363.2142 298.9216 -183591.2146 -149258.4927 297.9861 -55.8439 -19.2843 557914.2143 1.8380 2.0300 PRESSURE: 2050600 -84.7362 -75.9625 -132.023 -75.9629 -44.3444 88.1435 -132.023 88.1441 -285 GPRESSURE: 2050600 3.5228 69.1962 -130.324 -143.703 -75.2267 98.0009 -70.6511 25.8806 -252.166 PRESSAVG: 2050600 -18.0249 -28.9943 12.3132 -28.9943 -4.80335 5.80414 12.3132 5.80419 15.3486 GPRESSAVG: 2050600 -18.4788 -28.1803 11.2344 -29.9656 -4.01522 6.01175 13.8309 5.79113 14.7848 TIMING: 2050600 CPU: 6123.99, 0.00297752/step Wall: 6123.99, 0.00297752/step, 2.43941 hours remaining, 207.753906 MB of memory in use. ENERGY: 2050600 754.8303 2065.4983 1929.6712 109.2620 -206053.3299 17684.6355 0.0000 0.0000 34119.8889 -149389.5438 297.9775 -183509.4327 -149298.0443 298.7601 -138.0270 -107.9567 558473.7045 -2.4932 -2.5697 PRESSURE: 2050800 114.79 -12.934 -27.0214 -12.9345 186.075 -227.967 -27.0196 -227.966 151.514 GPRESSURE: 2050800 115.126 6.1626 -37.0447 -3.19365 211.039 -183.772 -21.4161 -255.75 229.863 PRESSAVG: 2050800 10.8535 21.8505 0.114202 21.8504 27.4416 -20.9843 0.11416 -20.9844 -48.118 GPRESSAVG: 2050800 10.9972 21.9438 0.476602 21.3132 26.0395 -22.4276 -0.652091 -20.9549 -46.8404 TIMING: 2050800 CPU: 6124.58, 0.00298023/step Wall: 6124.58, 0.00298023/step, 2.44147 hours remaining, 207.753906 MB of memory in use. ENERGY: 2050800 743.6663 2078.5275 1939.1368 116.7327 -206322.5854 17961.9187 0.0000 0.0000 34087.4070 -149395.1963 297.6938 -183482.6034 -149302.9203 298.0803 150.7928 185.3427 557289.9233 -3.2743 -3.2679 PRESSURE: 2051000 -0.0683451 -8.66011 35.7002 -8.65835 -55.7038 -174.897 35.7006 -174.895 101.417 GPRESSURE: 2051000 -11.3152 28.6405 29.0463 53.4057 6.03607 -215.318 -8.26243 -175.898 142.02 PRESSAVG: 2051000 -11.7945 -0.412535 -32.4076 -0.412564 0.774447 6.2689 -32.4076 6.26896 31.723 GPRESSAVG: 2051000 -13.4567 -0.0350706 -32.3524 0.386797 3.08387 4.77798 -31.3519 8.64508 31.0879 TIMING: 2051000 CPU: 6125.18, 0.00297807/step Wall: 6125.18, 0.00297807/step, 2.43954 hours remaining, 207.753906 MB of memory in use. ENERGY: 2051000 761.9774 2106.8790 1932.0964 111.1222 -206063.3870 17809.2061 0.0000 0.0000 34089.5744 -149252.5315 297.7127 -183342.1059 -149162.4351 298.4544 15.2151 45.5802 558312.0231 6.9010 6.9050 PRESSURE: 2051200 -128.399 112.766 111.968 112.765 -148.77 -123.105 111.969 -123.106 -87.1622 GPRESSURE: 2051200 -22.0945 148.934 211.083 62.4977 -110.813 -225.072 54.8033 -3.72391 -131.979 PRESSAVG: 2051200 16.3873 28.7605 -12.8416 28.7605 15.6774 -60.359 -12.8416 -60.3592 -30.6865 GPRESSAVG: 2051200 17.956 28.8154 -12.6277 27.3774 14.5519 -57.0859 -13.9184 -61.722 -30.9133 TIMING: 2051200 CPU: 6125.78, 0.00301048/step Wall: 6125.78, 0.00301048/step, 2.46592 hours remaining, 207.753906 MB of memory in use. ENERGY: 2051200 754.4570 2038.3927 1934.2879 98.1611 -206124.7988 17699.9591 0.0000 0.0000 34389.1387 -149210.4023 300.3289 -183599.5410 -149110.9592 299.0717 -121.4439 -88.2954 558418.1495 0.4594 0.5315 PRESSURE: 2051400 51.0502 120.733 -39.7176 120.733 -175.171 -137.958 -39.7187 -137.958 85.4804 GPRESSURE: 2051400 144.706 174.037 18.6877 96.0287 -219.236 -156.446 -84.1074 -52.5719 125.478 PRESSAVG: 2051400 41.1827 -19.4752 34.0991 -19.4751 -7.34085 -69.0093 34.0992 -69.0094 15.1183 GPRESSAVG: 2051400 40.7331 -19.8149 32.9442 -19.0131 -7.27889 -69.1289 34.4264 -69.0415 15.3765 TIMING: 2051400 CPU: 6126.39, 0.00302775/step Wall: 6126.39, 0.00302775/step, 2.4799 hours remaining, 207.753906 MB of memory in use. ENERGY: 2051400 750.2144 2149.7506 1929.4303 133.0605 -206285.6903 17876.0849 0.0000 0.0000 34323.7850 -149123.3646 299.7582 -183447.1496 -149030.4772 299.3595 -12.8801 16.9826 559350.6993 16.3200 16.2769 PRESSURE: 2051600 -72.7525 -81.1605 81.3401 -81.1621 -231.485 122.706 81.3398 122.705 -231.59 GPRESSURE: 2051600 -14.8867 -49.7091 85.2334 -72.5071 -192.123 107.874 71.5974 99.4978 -226.508 PRESSAVG: 2051600 -3.14325 -0.267869 9.61194 -0.267846 -2.55169 -80.7592 9.612 -80.7592 -9.20029 GPRESSAVG: 2051600 -2.59455 -0.353349 11.6601 -0.0624769 -3.55736 -81.7688 9.24801 -80.3399 -8.49658 TIMING: 2051600 CPU: 6126.98, 0.00299051/step Wall: 6126.98, 0.00299051/step, 2.44922 hours remaining, 207.753906 MB of memory in use. ENERGY: 2051600 730.1995 2108.1398 1927.6676 107.7868 -205953.1373 17645.4878 0.0000 0.0000 34384.7175 -149049.1384 300.2903 -183433.8558 -148953.5948 299.8051 -178.6089 -144.5059 559539.8020 -4.9651 -4.8828 PRESSURE: 2051800 5.36619 -1.18803 150.759 -1.18838 -11.8222 53.9878 150.761 53.9889 68.6637 GPRESSURE: 2051800 -10.7145 -1.71339 78.5697 5.21405 3.22317 59.6605 174.864 52.5678 148.712 PRESSAVG: 2051800 60.3676 -17.8646 59.0279 -17.8646 -79.6002 -8.34641 59.0279 -8.34646 62.9058 GPRESSAVG: 2051800 60.2712 -19.098 58.4626 -16.8584 -78.7303 -12.0658 59.4943 -4.92529 62.1165 TIMING: 2051800 CPU: 6127.59, 0.00300649/step Wall: 6127.59, 0.00300649/step, 2.46215 hours remaining, 207.753906 MB of memory in use. ENERGY: 2051800 804.1086 2175.7466 1923.1133 101.9093 -206115.6127 17871.3892 0.0000 0.0000 34279.1836 -148960.1620 299.3686 -183239.3457 -148860.3792 299.5366 20.7359 47.0737 556494.3970 14.5577 14.5525 PRESSURE: 2052000 131.715 78.4011 41.9065 78.4015 -21.2168 15.3535 41.9074 15.3556 152.444 GPRESSURE: 2052000 142.289 61.5048 50.4685 93.8552 3.19347 55.6479 26.1399 -20.9001 218.301 PRESSAVG: 2052000 20.6331 2.32102 66.874 2.32107 -105.833 -23.8901 66.8741 -23.8902 50.7705 GPRESSAVG: 2052000 21.0533 5.87654 66.7733 0.411227 -106.291 -19.1976 68.304 -28.0306 50.8873 TIMING: 2052000 CPU: 6128.18, 0.00298163/step Wall: 6128.18, 0.00298163/step, 2.44163 hours remaining, 207.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2052000 772.8714 2162.3486 1966.2917 115.4583 -206277.8848 17872.3940 0.0000 0.0000 34311.1300 -149077.3907 299.6476 -183388.5207 -148983.0550 300.2694 87.6477 121.2612 558435.4085 -11.4765 -11.4500 PRESSURE: 2052200 216.164 -144.419 180.232 -144.418 -110.137 -84.0307 180.233 -84.0316 66.8538 GPRESSURE: 2052200 210.373 -138.979 106.637 -155.447 -37.3859 -82.7164 204.396 -37.0791 96.5026 PRESSAVG: 2052200 6.04037 -23.1269 23.9485 -23.1269 11.6101 -35.7385 23.9484 -35.7385 -29.1366 GPRESSAVG: 2052200 5.7104 -25.8083 24.8657 -22.1371 11.9122 -36.7952 23.4986 -33.1307 -29.4006 TIMING: 2052200 CPU: 6128.78, 0.00299909/step Wall: 6128.78, 0.00299909/step, 2.45575 hours remaining, 207.753906 MB of memory in use. ENERGY: 2052200 803.4686 2117.5754 1960.4392 99.7133 -206614.9899 18171.6965 0.0000 0.0000 34305.1951 -149156.9018 299.5958 -183462.0969 -149063.6787 299.7778 57.6270 89.8299 557619.2443 -3.8287 -3.9260 LDB: ============= START OF LOAD BALANCING ============== 6132.33 LDB: ============== END OF LOAD BALANCING =============== 6132.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6132.33 LDB: ============= START OF LOAD BALANCING ============== 6132.62 LDB: Largest compute 4773 load 0.028401 is 24.0% of average load 0.118166 LDB: Average compute 0.001736 is 1.5% of average load 0.118166 LDB: TIME 6132.63 LOAD: AVG 0.118166 MAX 0.207024 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.062 MB LDB: TIME 6132.63 LOAD: AVG 0.118166 MAX 0.207024 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.266 MB LDB: TIME 6132.63 LOAD: AVG 0.118166 MAX 0.207024 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.266 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6132.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6132.63 PRESSURE: 2052400 -6.43099 -17.0838 -17.4091 -17.0841 -392.726 -113.572 -17.4101 -113.575 29.3904 GPRESSURE: 2052400 -35.7825 9.03677 -16.0735 15.7872 -336.597 -189.088 32.2457 -141.401 93.5337 PRESSAVG: 2052400 50.0102 -13.6213 34.8205 -13.6213 -11.8893 -54.2333 34.8205 -54.2334 -23.0749 GPRESSAVG: 2052400 48.9319 -14.0085 34.4881 -11.8169 -11.3892 -55.4116 34.8599 -56.5807 -22.229 TIMING: 2052400 CPU: 6129.38, 0.00300839/step Wall: 6129.38, 0.00300839/step, 2.46321 hours remaining, 207.996094 MB of memory in use. ENERGY: 2052400 767.7964 2111.4131 1939.6255 119.4005 -205947.6229 17568.9063 0.0000 0.0000 34281.6032 -149158.8779 299.3898 -183440.4811 -149061.5601 300.1433 -123.2555 -92.9484 557455.9227 5.0153 5.1045 PRESSURE: 2052600 -262.978 7.71226 -87.7233 7.71267 -37.5641 11.7988 -87.7225 11.7966 56.8931 GPRESSURE: 2052600 -251.628 -2.44503 -101.653 46.338 31.3939 -92.4869 -18.6212 18.8036 76.0223 PRESSAVG: 2052600 -12.13 -8.81976 8.13066 -8.81984 -47.842 -37.1072 8.13059 -37.1071 40.7629 GPRESSAVG: 2052600 -10.044 -6.40727 8.23866 -11.0121 -49.1232 -36.568 6.80376 -36.9642 40.1189 TIMING: 2052600 CPU: 6129.98, 0.00298062/step Wall: 6129.98, 0.00298062/step, 2.4403 hours remaining, 207.996094 MB of memory in use. ENERGY: 2052600 756.6265 2146.7984 1929.6258 114.3863 -205978.1029 17733.8856 0.0000 0.0000 34230.1454 -149066.6349 298.9404 -183296.7803 -148971.1656 300.2852 -81.2162 -48.0707 558610.6706 -6.4030 -6.3495 PRESSURE: 2052800 -172.016 -115.268 -124.472 -115.267 -165.856 -47.9142 -124.473 -47.9156 -267.393 GPRESSURE: 2052800 -191.27 -80.1932 -104.659 -138.374 -128.116 -38.9034 -117.615 -88.651 -189.756 PRESSAVG: 2052800 -51.8752 -71.7346 -1.75274 -71.7345 -10.8692 6.69653 -1.75278 6.69659 32.0702 GPRESSAVG: 2052800 -52.9621 -70.7449 -2.58076 -72.1622 -8.97928 6.20346 -1.60894 7.13602 31.3645 TIMING: 2052800 CPU: 6130.58, 0.00300948/step Wall: 6130.58, 0.00300948/step, 2.46376 hours remaining, 207.996094 MB of memory in use. ENERGY: 2052800 778.3063 2132.9025 1928.0264 130.5586 -205882.8365 17650.5634 0.0000 0.0000 34288.9775 -148973.5018 299.4542 -183262.4794 -148883.2701 299.8359 -201.7551 -169.7139 559499.2039 -10.2247 -10.1923 PRESSURE: 2053000 74.4472 -40.7675 -160.959 -40.7673 -73.8355 -83.4857 -160.957 -83.4842 -180.788 GPRESSURE: 2053000 91.0179 -67.32 -181.719 -50.7238 -41.5894 -63.8633 -143.122 -68.7015 -135.568 PRESSAVG: 2053000 56.2285 -32.3319 -14.1978 -32.3318 -39.037 -33.3532 -14.1979 -33.3532 -9.71027 GPRESSAVG: 2053000 56.662 -35.2649 -13.5856 -31.8572 -39.3863 -31.1103 -13.4494 -32.7003 -9.69075 TIMING: 2053000 CPU: 6131.19, 0.00302147/step Wall: 6131.19, 0.00302147/step, 2.47341 hours remaining, 207.996094 MB of memory in use. ENERGY: 2053000 758.5047 2137.3200 1902.4319 114.6531 -206112.7486 17746.5188 0.0000 0.0000 34420.1249 -149033.1952 300.5995 -183453.3201 -148939.4245 300.0055 -60.0587 -28.7133 558305.6738 2.4937 2.5283 PRESSURE: 2053200 -63.5532 -279.939 71.7715 -279.939 101.032 88.7056 71.7734 88.7056 30.364 GPRESSURE: 2053200 -43.5152 -240.17 85.4063 -276.593 158.01 66.0386 54.077 82.8774 61.1939 PRESSAVG: 2053200 22.5484 13.294 -49.1297 13.2941 41.2749 -17.5921 -49.1297 -17.592 -65.3349 GPRESSAVG: 2053200 21.8493 12.5592 -49.2593 13.4495 41.7227 -20.1938 -48.6004 -16.0274 -65.3562 TIMING: 2053200 CPU: 6131.79, 0.00301691/step Wall: 6131.79, 0.00301691/step, 2.4695 hours remaining, 207.996094 MB of memory in use. ENERGY: 2053200 760.5643 2082.4538 1920.2786 116.6745 -206135.4184 17868.1120 0.0000 0.0000 34411.9120 -148975.4231 300.5278 -183387.3352 -148881.1351 299.9552 22.6142 58.5630 558238.2603 -0.5039 -0.5947 PRESSURE: 2053400 -132.351 -2.12319 -12.2757 -2.12323 13.8126 -41.1392 -12.2763 -41.1388 -113.956 GPRESSURE: 2053400 -82.1708 -1.24538 -46.7479 -16.4206 3.60277 -26.868 84.1906 -22.0485 -49.8549 PRESSAVG: 2053400 59.1018 -50.444 58.9214 -50.4441 52.9543 -2.14941 58.9213 -2.1495 -95.9113 GPRESSAVG: 2053400 58.9686 -50.6076 59.2727 -50.1454 52.2687 -0.506322 58.0725 -3.38775 -95.7026 TIMING: 2053400 CPU: 6132.4, 0.00303312/step Wall: 6132.4, 0.00303312/step, 2.48261 hours remaining, 207.996094 MB of memory in use. ENERGY: 2053400 768.7050 2120.8691 1901.4633 115.2470 -205970.5986 17727.1417 0.0000 0.0000 34308.3527 -149028.8198 299.6234 -183337.1725 -148935.0394 299.8519 -77.4981 -42.8076 557975.2205 5.3816 5.1782 PRESSURE: 2053600 99.9038 -122.799 8.41596 -122.799 -109.319 4.15387 8.41412 4.15448 -7.60626 GPRESSURE: 2053600 119.058 -31.9143 -85.6818 -112.961 -39.4135 35.09 35.813 -17.9464 -3.1191 PRESSAVG: 2053600 59.504 -48.9728 32.9435 -48.9728 -36.2804 -9.57571 32.9434 -9.57568 -17.7803 GPRESSAVG: 2053600 59.5393 -47.7557 33.9555 -49.2518 -35.786 -9.90119 31.9681 -9.85588 -17.9309 TIMING: 2053600 CPU: 6133, 0.0030257/step Wall: 6133, 0.0030257/step, 2.47637 hours remaining, 207.996094 MB of memory in use. ENERGY: 2053600 758.4616 2110.6216 1949.2366 106.3651 -206338.8336 17921.7202 0.0000 0.0000 34520.0037 -148972.4249 301.4718 -183492.4286 -148882.6198 300.4889 -5.6737 25.5084 557701.8585 1.8145 1.9408 PRESSURE: 2053800 -191.632 144.448 51.3853 144.448 75.3732 54.7916 51.3846 54.7922 450.604 GPRESSURE: 2053800 -98.9727 123.417 71.6982 132.69 35.3343 46.8735 5.0771 42.5605 489.55 PRESSAVG: 2053800 -5.9076 -38.3535 -6.15024 -38.3534 -9.87452 1.98044 -6.15026 1.98049 13.1881 GPRESSAVG: 2053800 -5.83733 -38.9577 -5.50957 -38.3712 -11.1722 0.910398 -6.73014 3.15792 13.5108 TIMING: 2053800 CPU: 6133.6, 0.00301861/step Wall: 6133.6, 0.00301861/step, 2.47039 hours remaining, 207.996094 MB of memory in use. ENERGY: 2053800 769.9597 2070.6153 1920.7243 109.3668 -206238.6191 17991.3202 0.0000 0.0000 34395.4771 -148981.1556 300.3843 -183376.6327 -148885.5125 300.3833 111.4484 141.9705 556932.0715 -0.8647 -1.1663 PRESSURE: 2054000 -113.444 66.1856 47.7403 66.1864 49.5411 17.9733 47.7407 17.972 -22.6915 GPRESSURE: 2054000 -62.3749 105.113 48.5372 65.2271 98.9159 72.7675 126.711 -43.8152 -26.5015 PRESSAVG: 2054000 10.2396 44.5398 42.2058 44.5398 -52.5125 -5.97769 42.2058 -5.97757 77.2367 GPRESSAVG: 2054000 11.0845 44.5969 40.2328 43.6777 -53.055 -5.47522 42.7397 -6.94989 76.4474 TIMING: 2054000 CPU: 6134.21, 0.00300671/step Wall: 6134.21, 0.00300671/step, 2.46049 hours remaining, 207.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2054000 777.1655 2086.2039 1925.7824 96.5535 -205953.3998 17729.4189 0.0000 0.0000 34382.4874 -148955.7881 300.2708 -183338.2756 -148864.7019 300.4048 -28.8647 3.3465 558339.2199 11.6546 11.4923 PRESSURE: 2054200 -573.096 153.074 63.4586 153.074 -260.417 23.3037 63.4583 23.3033 -237.509 GPRESSURE: 2054200 -565.816 123.52 -11.4039 177.601 -218.856 12.0419 67.3712 20.9672 -171.124 PRESSAVG: 2054200 -64.8636 37.6815 -7.37458 37.6815 51.378 -26.5283 -7.37454 -26.5282 17.738 GPRESSAVG: 2054200 -66.361 38.7525 -8.44296 37.2747 51.7445 -26.3277 -6.42132 -25.9563 19.2434 TIMING: 2054200 CPU: 6134.8, 0.00298609/step Wall: 6134.8, 0.00298609/step, 2.44345 hours remaining, 207.996094 MB of memory in use. ENERGY: 2054200 785.4542 2121.7161 1938.6038 115.1144 -205731.1737 17338.8207 0.0000 0.0000 34420.3888 -149011.0758 300.6018 -183431.4645 -148920.0439 301.1570 -357.0072 -318.5986 558874.8247 1.4175 1.5423 PRESSURE: 2054400 68.1798 116.352 116.537 116.352 152.812 -72.5516 116.537 -72.5533 33.5811 GPRESSURE: 2054400 82.1673 137.341 141.263 50.9852 179.633 17.5644 50.5573 -89.7092 89.3456 PRESSAVG: 2054400 -35.0771 17.6455 53.0225 17.6455 61.4974 -30.294 53.0225 -30.294 -14.9144 GPRESSAVG: 2054400 -34.3529 18.1169 55.5202 19.3444 61.2399 -31.7901 53.4698 -29.4891 -15.6042 TIMING: 2054400 CPU: 6135.41, 0.0030204/step Wall: 6135.41, 0.0030204/step, 2.47136 hours remaining, 207.996094 MB of memory in use. ENERGY: 2054400 776.0726 2137.6288 1944.1301 115.6987 -206020.4663 17972.1043 0.0000 0.0000 34205.7123 -148869.1194 298.7270 -183074.8317 -148773.4393 299.4819 84.8575 117.0488 557254.4191 3.8353 3.7609 PRESSURE: 2054600 -104.619 56.187 28.4164 56.1871 22.5977 -39.9732 28.4154 -39.9721 -202.564 GPRESSURE: 2054600 -66.845 62.9244 -68.73 103.871 50.9544 13.5178 56.5407 38.2484 -173.147 PRESSAVG: 2054600 4.54576 25.7187 12.6476 25.7187 22.9731 -40.3716 12.6476 -40.3715 10.4213 GPRESSAVG: 2054600 5.18938 25.0065 8.57644 23.7215 22.1372 -40.8164 13.4959 -41.025 10.3972 TIMING: 2054600 CPU: 6136.01, 0.00300008/step Wall: 6136.01, 0.00300008/step, 2.45457 hours remaining, 207.996094 MB of memory in use. ENERGY: 2054600 704.8795 2132.0311 1952.3216 98.3749 -206061.8290 17759.3960 0.0000 0.0000 34297.4918 -149117.3341 299.5285 -183414.8259 -149018.0452 300.3412 -94.8616 -63.0126 558674.5808 12.6467 12.5746 PRESSURE: 2054800 239.409 104.005 -68.3531 104.003 180.769 17.6985 -68.353 17.6972 167.12 GPRESSURE: 2054800 245.5 160.199 -108.54 51.6774 215.506 -91.7884 -24.7176 -13.8732 221.38 PRESSAVG: 2054800 -18.9446 22.1679 23.2971 22.168 15.5046 -33.5946 23.2971 -33.5946 17.2595 GPRESSAVG: 2054800 -18.8582 22.0369 27.0781 22.855 15.6525 -32.5545 21.5622 -32.8542 17.4773 TIMING: 2054800 CPU: 6136.61, 0.00301974/step Wall: 6136.61, 0.00301974/step, 2.47048 hours remaining, 207.996094 MB of memory in use. ENERGY: 2054800 722.6564 2115.2574 1913.7662 109.5739 -206265.7344 17967.5304 0.0000 0.0000 34441.6664 -148995.2837 300.7876 -183436.9501 -148902.8148 299.7999 195.7660 227.4624 557530.1039 4.6065 4.7572 PRESSURE: 2055000 1.48351 -33.2376 -40.8577 -33.238 91.8824 -127.331 -40.8581 -127.331 -55.3762 GPRESSURE: 2055000 74.5698 -14.7069 15.7137 -93.94 122.943 -56.1638 -46.8351 -134.515 -57.795 PRESSAVG: 2055000 -29.4522 -24.4196 -35.5912 -24.4196 4.34291 20.8298 -35.5912 20.8298 41.7312 GPRESSAVG: 2055000 -30.5491 -22.3447 -35.7301 -24.7443 5.59558 20.5546 -35.6473 18.0429 41.7447 TIMING: 2055000 CPU: 6137.21, 0.00301291/step Wall: 6137.21, 0.00301291/step, 2.46473 hours remaining, 207.996094 MB of memory in use. ENERGY: 2055000 723.6701 2070.1783 1934.3559 109.4085 -205991.4401 17813.6488 0.0000 0.0000 34562.2291 -148777.9494 301.8405 -183340.1785 -148677.3452 300.8379 12.6632 46.5726 557712.1696 5.5406 5.5970 PRESSURE: 2055200 23.4587 -121.899 -129.988 -121.9 172.555 126.019 -129.988 126.019 26.4812 GPRESSURE: 2055200 3.28364 -131.459 -163.942 -170.911 212.017 124.882 -35.6597 81.1742 107.976 PRESSAVG: 2055200 -9.29781 -13.2933 -10.6155 -13.2933 27.9175 -4.10849 -10.6155 -4.10849 4.05496 GPRESSAVG: 2055200 -9.91137 -15.9528 -12.303 -12.2289 27.1117 -4.03976 -9.38619 -2.0419 5.02667 TIMING: 2055200 CPU: 6137.81, 0.00298335/step Wall: 6137.81, 0.00298335/step, 2.44038 hours remaining, 207.996094 MB of memory in use. ENERGY: 2055200 739.6618 2112.9459 1939.2292 119.3846 -206040.2934 17937.6104 0.0000 0.0000 34465.3396 -148726.1219 300.9944 -183191.4615 -148628.9112 300.7580 74.1650 107.7589 558364.0282 7.5582 7.4090 PRESSURE: 2055400 102.316 35.0869 -72.5528 35.0871 -28.4904 13.1095 -72.5525 13.1095 -132.686 GPRESSURE: 2055400 38.7438 30.2103 -54.6276 -7.55872 52.941 -2.65469 -84.359 -2.22602 -53.7914 PRESSAVG: 2055400 40.4722 -23.6466 -54.2235 -23.6465 45.9373 -47.6689 -54.2236 -47.6689 -51.4073 GPRESSAVG: 2055400 40.3793 -23.292 -52.2751 -24.5506 47.5386 -46.2022 -53.9171 -50.2895 -52.9428 TIMING: 2055400 CPU: 6138.41, 0.00301705/step Wall: 6138.41, 0.00301705/step, 2.46778 hours remaining, 207.996094 MB of memory in use. ENERGY: 2055400 736.5138 2089.5029 1908.5194 110.6656 -205799.8483 17639.1017 0.0000 0.0000 34448.6339 -148866.9110 300.8485 -183315.5448 -148764.7175 300.6681 -19.6204 12.6311 557304.8965 11.6674 11.6583 PRESSURE: 2055600 -76.7037 2.19263 4.0512 2.19118 -177.636 -90.2163 4.05205 -90.2167 -67.5723 GPRESSURE: 2055600 -57.1847 -8.11318 3.65129 116.464 -117.938 -24.6872 42.6933 -152.365 -55.251 PRESSAVG: 2055600 -3.54166 38.5871 -57.6265 38.5872 60.4795 12.763 -57.6266 12.7631 -42.4366 GPRESSAVG: 2055600 -2.11921 38.7599 -59.6142 38.7154 59.3639 12.101 -58.1735 12.9543 -43.0453 TIMING: 2055600 CPU: 6139.01, 0.00299175/step Wall: 6139.01, 0.00299175/step, 2.44692 hours remaining, 207.996094 MB of memory in use. ENERGY: 2055600 732.0455 2061.4449 1925.2212 110.9464 -205569.9137 17515.2710 0.0000 0.0000 34536.8601 -148688.1245 301.6190 -183224.9846 -148597.4695 300.1648 -107.3041 -76.7912 557709.7898 4.8338 4.7331 PRESSURE: 2055800 35.7567 -68.5602 -74.0081 -68.5597 152.227 134.603 -74.0082 134.602 -90.494 GPRESSURE: 2055800 71.9699 -32.7925 -83.1058 -14.751 198.65 77.9393 -57.5104 185.925 -74.4314 PRESSAVG: 2055800 9.62167 41.9875 -39.3828 41.9876 18.3061 -4.4654 -39.3828 -4.46538 -68.338 GPRESSAVG: 2055800 8.66498 42.3388 -38.2797 42.6911 18.9679 -3.8028 -38.2379 -3.92912 -67.4594 TIMING: 2055800 CPU: 6139.62, 0.00302852/step Wall: 6139.62, 0.00302852/step, 2.47682 hours remaining, 207.996094 MB of memory in use. ENERGY: 2055800 755.6965 2056.2503 1922.9233 115.1289 -206102.2126 17995.0672 0.0000 0.0000 34462.5508 -148794.5956 300.9700 -183257.1464 -148696.5028 300.6748 32.4967 65.3961 557611.9381 -13.4701 -13.2755 PRESSURE: 2056000 -135.13 -152.977 6.93166 -152.977 -0.0496506 -12.6893 6.93086 -12.69 -171.606 GPRESSURE: 2056000 -86.8294 -28.9315 18.1102 -149.671 18.9953 32.6262 30.619 -7.22607 -138.382 PRESSAVG: 2056000 6.03402 1.10806 26.8768 1.10802 28.6655 -0.502434 26.8768 -0.502447 -45.472 GPRESSAVG: 2056000 6.93155 0.491697 26.3942 1.5663 28.1599 -3.22341 25.2044 1.8988 -46.1123 TIMING: 2056000 CPU: 6140.22, 0.00300937/step Wall: 6140.22, 0.00300937/step, 2.461 hours remaining, 207.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2056000 749.4676 2050.3970 1925.6735 127.2728 -205751.6826 17453.0077 0.0000 0.0000 34587.2619 -148858.6020 302.0592 -183445.8639 -148768.8195 300.3452 -102.2618 -68.7386 555141.6651 -3.5908 -3.6736 PRESSURE: 2056200 -87.3463 -240.7 -41.6516 -240.699 -303.923 -165.096 -41.6525 -165.095 102.657 GPRESSURE: 2056200 -32.6371 -244.115 -101.509 -284.256 -311.392 -153.617 -26.7778 -120.578 138.989 PRESSAVG: 2056200 -26.0923 -34.8425 48.2285 -34.8425 -70.0889 -23.7723 48.2286 -23.7724 97.7248 GPRESSAVG: 2056200 -26.363 -36.9104 47.277 -33.8656 -69.1973 -22.8841 48.4177 -24.1926 96.975 TIMING: 2056200 CPU: 6140.81, 0.00295902/step Wall: 6140.81, 0.00295902/step, 2.41965 hours remaining, 207.996094 MB of memory in use. ENERGY: 2056200 742.3962 2080.0480 1923.2019 115.8882 -205478.3470 17431.4941 0.0000 0.0000 34278.9631 -148906.3554 299.3667 -183185.3185 -148811.9989 299.9576 -96.2042 -68.3468 557620.8906 0.5145 0.4716 LDB: ============= START OF LOAD BALANCING ============== 6144.36 LDB: ============== END OF LOAD BALANCING =============== 6144.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6144.36 LDB: ============= START OF LOAD BALANCING ============== 6144.66 LDB: Largest compute 4773 load 0.029164 is 24.7% of average load 0.118113 LDB: Average compute 0.001738 is 1.5% of average load 0.118113 LDB: TIME 6144.66 LOAD: AVG 0.118113 MAX 0.211136 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 6144.67 LOAD: AVG 0.118113 MAX 0.211136 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: TIME 6144.67 LOAD: AVG 0.118113 MAX 0.211136 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: ============== END OF LOAD BALANCING =============== 6144.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6144.67 PRESSURE: 2056400 48.3309 201.841 157.619 201.841 -143.105 -105.827 157.619 -105.827 151.046 GPRESSURE: 2056400 90.9083 165.284 180.519 234.322 -106.471 -28.49 164.037 -110.692 172.412 PRESSAVG: 2056400 26.2651 14.4218 -15.2057 14.4219 -49.4312 -9.3214 -15.2057 -9.32127 36.9579 GPRESSAVG: 2056400 27.2361 16.7355 -14.5938 11.9362 -51.1479 -8.07144 -13.7055 -10.1588 37.3975 TIMING: 2056400 CPU: 6141.42, 0.00305357/step Wall: 6141.42, 0.00305357/step, 2.4968 hours remaining, 206.777344 MB of memory in use. ENERGY: 2056400 731.7272 2103.3873 1902.4568 107.3719 -206038.6466 17927.1551 0.0000 0.0000 34428.9420 -148837.6063 300.6765 -183266.5482 -148744.3976 300.1854 18.7573 52.2829 558997.7641 4.5973 4.4952 PRESSURE: 2056600 -408.156 -130.917 52.9888 -130.917 -168.477 63.0949 52.9886 63.0969 135.353 GPRESSURE: 2056600 -292.421 -126.329 23.3916 -89.9798 -143 23.8371 88.9009 -34.2818 104.057 PRESSAVG: 2056600 17.2022 -28.3266 19.3872 -28.3266 -6.65187 -9.66157 19.3873 -9.66159 15.9797 GPRESSAVG: 2056600 16.1467 -28.9911 20.7006 -26.6999 -6.33789 -9.0431 19.5659 -8.49649 16.6876 TIMING: 2056600 CPU: 6142.02, 0.00300691/step Wall: 6142.02, 0.00300691/step, 2.45848 hours remaining, 206.777344 MB of memory in use. ENERGY: 2056600 736.6387 2053.8435 1952.8076 104.8219 -205624.2855 17557.2878 0.0000 0.0000 34159.6356 -149059.2504 298.3246 -183218.8860 -148957.9364 299.5558 -147.0936 -110.4548 558369.2308 8.8434 8.8321 PRESSURE: 2056800 192.148 162.722 -101.715 162.721 15.4077 -166.049 -101.717 -166.048 60.786 GPRESSURE: 2056800 221.579 129.264 41.4881 142.148 39.5201 -268.686 -91.5075 -89.4696 94.7265 PRESSAVG: 2056800 -19.6398 30.0229 29.7597 30.0229 -19.4772 -7.16799 29.7597 -7.16808 37.2087 GPRESSAVG: 2056800 -19.3892 29.3109 29.1448 29.6067 -19.1547 -8.79322 28.1346 -6.2879 36.8855 TIMING: 2056800 CPU: 6142.62, 0.00299992/step Wall: 6142.62, 0.00299992/step, 2.4526 hours remaining, 206.777344 MB of memory in use. ENERGY: 2056800 710.7792 2058.9401 1931.8646 117.4413 -206255.4987 17965.1485 0.0000 0.0000 34416.4936 -149054.8315 300.5678 -183471.3250 -148962.2210 299.6912 89.4471 118.6085 557555.4903 -0.6361 -0.5528 PRESSURE: 2057000 -143.149 55.6873 101.146 55.6864 -70.5779 23.6886 101.147 23.6889 -58.8172 GPRESSURE: 2057000 -97.3131 28.1112 129.011 8.72004 -32.1077 18.9836 28.5743 14.6669 -35.9377 PRESSAVG: 2057000 -30.5187 -10.1322 43.0554 -10.1323 -15.9652 -24.1183 43.0555 -24.1184 28.2889 GPRESSAVG: 2057000 -29.3774 -9.6146 44.8011 -10.1733 -16.3768 -23.1239 43.6457 -25.1806 27.5403 TIMING: 2057000 CPU: 6143.23, 0.00301702/step Wall: 6143.23, 0.00301702/step, 2.46641 hours remaining, 206.777344 MB of memory in use. ENERGY: 2057000 733.4360 2072.2234 1935.4549 128.6807 -205598.5630 17400.4874 0.0000 0.0000 34375.8726 -148952.4080 300.2130 -183328.2806 -148857.9756 300.1342 -90.8481 -55.1195 556198.5012 -6.0650 -6.0713 PRESSURE: 2057200 167.089 64.5786 -79.4861 64.5761 91.0192 125.375 -79.4857 125.377 1.1803 GPRESSURE: 2057200 242.772 -13.619 -45.4837 100.591 51.8427 118.287 -86.9646 153.097 61.7205 PRESSAVG: 2057200 17.4678 -13.1678 -23.495 -13.1677 -2.87412 1.14616 -23.495 1.14618 17.5569 GPRESSAVG: 2057200 16.3004 -14.6058 -25.243 -10.5539 -3.02172 -1.10755 -23.2061 2.369 18.6993 TIMING: 2057200 CPU: 6143.83, 0.00299944/step Wall: 6143.83, 0.00299944/step, 2.45187 hours remaining, 206.777344 MB of memory in use. ENERGY: 2057200 763.0867 2073.3557 1951.4206 104.0556 -206126.3951 17946.5775 0.0000 0.0000 34312.6743 -148975.2247 299.6611 -183287.8990 -148886.7456 300.3342 86.4294 118.7784 556656.4006 10.7169 10.6593 PRESSURE: 2057400 31.4727 36.9427 -90.0676 36.9416 40.1496 -48.8111 -90.0683 -48.8111 184.363 GPRESSURE: 2057400 93.995 1.54128 -180.614 -0.0189117 68.7231 -31.9635 23.0791 13.5363 182.726 PRESSAVG: 2057400 28.7152 4.17283 8.41963 4.17291 -44.0412 -0.637405 8.41965 -0.637379 1.54279 GPRESSAVG: 2057400 29.746 6.69219 7.88294 2.6586 -43.4237 1.30692 9.94118 -0.142745 0.0623483 TIMING: 2057400 CPU: 6144.43, 0.00301262/step Wall: 6144.43, 0.00301262/step, 2.46248 hours remaining, 206.777344 MB of memory in use. ENERGY: 2057400 775.2060 2056.3153 1940.2898 105.8529 -206359.8886 18032.3607 0.0000 0.0000 34381.7094 -149068.1543 300.2640 -183449.8638 -148961.6828 299.9850 85.3286 115.1480 556614.5534 -4.5944 -4.5385 PRESSURE: 2057600 -177.053 -223.279 135.856 -223.28 73.4555 -261.152 135.856 -261.151 63.4095 GPRESSURE: 2057600 -123.134 -225.885 187.534 -229.863 93.0965 -260.609 51.1593 -268.26 93.5572 PRESSAVG: 2057600 10.878 1.88461 -14.0495 1.88468 3.65598 -14.8249 -14.0496 -14.825 1.73618 GPRESSAVG: 2057600 11.2307 3.72514 -12.3379 -0.406436 3.58197 -16.1873 -17.4144 -15.6521 1.98583 TIMING: 2057600 CPU: 6145.03, 0.00301535/step Wall: 6145.03, 0.00301535/step, 2.46455 hours remaining, 206.777344 MB of memory in use. ENERGY: 2057600 722.8004 2057.3758 1949.3835 126.9670 -205937.8339 17762.1583 0.0000 0.0000 34399.8553 -148919.2936 300.4225 -183319.1489 -148827.9095 299.8339 -13.3961 21.1733 560451.7071 5.4234 5.5995 PRESSURE: 2057800 334.684 136.891 -84.4463 136.891 107.64 -86.3479 -84.4465 -86.3467 -158.444 GPRESSURE: 2057800 330.008 58.0823 -84.5958 132.276 111.205 -94.2604 -39.9713 -93.1587 -60.1235 PRESSAVG: 2057800 -17.2233 -47.7714 12.5619 -47.7715 34.3493 -48.5443 12.5619 -48.5442 -22.4137 GPRESSAVG: 2057800 -19.2948 -49.0736 10.7407 -46.0431 34.3406 -49.2822 13.9739 -50.4485 -20.4188 TIMING: 2057800 CPU: 6145.64, 0.00303733/step Wall: 6145.64, 0.00303733/step, 2.48234 hours remaining, 206.777344 MB of memory in use. ENERGY: 2057800 745.4177 2077.4958 1933.2461 106.9583 -206231.4985 18025.8515 0.0000 0.0000 34386.1657 -148956.3634 300.3029 -183342.5291 -148862.7202 299.7691 94.6267 127.0299 559068.2064 -1.7625 -1.7910 PRESSURE: 2058000 -66.1542 -80.1979 10.0478 -80.1968 165.792 -77.9586 10.0493 -77.9575 -184.229 GPRESSURE: 2058000 -38.4414 -116.005 -3.14076 -28.2793 206.968 -99.2935 22.0882 -9.81813 -154.708 PRESSAVG: 2058000 30.3032 12.6933 36.7981 12.6934 11.5087 -45.4605 36.7981 -45.4605 8.92799 GPRESSAVG: 2058000 31.8135 13.5568 37.0131 11.2469 11.8509 -43.4422 35.7473 -42.6858 7.03737 TIMING: 2058000 CPU: 6146.24, 0.00301413/step Wall: 6146.24, 0.00301413/step, 2.46322 hours remaining, 206.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2058000 717.6134 2052.7628 1930.3294 116.6542 -205892.7553 17761.6762 0.0000 0.0000 34367.3399 -148946.3794 300.1385 -183313.7193 -148850.4442 300.0782 -28.1970 4.6061 558471.6542 16.9133 16.9006 PRESSURE: 2058200 23.5916 -8.71491 80.1905 -8.71382 -290.871 -94.5422 80.1902 -94.5416 58.2471 GPRESSURE: 2058200 26.2038 -39.5274 29.1322 -21.0422 -244.977 -63.0822 80.4704 -61.6386 97.9408 PRESSAVG: 2058200 2.18302 38.6486 63.6118 38.6486 2.76351 18.6095 63.6117 18.6095 45.3147 GPRESSAVG: 2058200 2.01773 37.0443 64.0995 37.4113 3.391 16.3135 63.7668 18.9722 44.3067 TIMING: 2058200 CPU: 6146.84, 0.00299743/step Wall: 6146.84, 0.00299743/step, 2.4494 hours remaining, 206.777344 MB of memory in use. ENERGY: 2058200 740.0452 2112.8609 1925.2912 117.1219 -205706.8422 17615.3546 0.0000 0.0000 34258.0889 -148938.0796 299.1844 -183196.1684 -148844.9239 299.9402 -69.6775 -40.2776 558797.0193 16.7537 16.5718 PRESSURE: 2058400 -219.036 117.819 -18.0593 117.82 -8.97208 95.6458 -18.0591 95.6448 26.1591 GPRESSURE: 2058400 -166.142 171.381 -6.95275 24.8744 5.31691 130.705 48.9597 114.222 68.9058 PRESSAVG: 2058400 43.2617 14.0688 13.8161 14.0689 -84.3803 8.74449 13.816 8.74452 35.2846 GPRESSAVG: 2058400 42.5911 13.7445 14.1249 15.7083 -85.9089 9.35584 14.0124 8.85256 37.7274 TIMING: 2058400 CPU: 6147.44, 0.00297129/step Wall: 6147.44, 0.00297129/step, 2.42787 hours remaining, 206.777344 MB of memory in use. ENERGY: 2058400 755.5065 2028.8507 1897.3465 99.1317 -205871.7782 17728.9870 0.0000 0.0000 34385.4793 -148976.4764 300.2969 -183361.9557 -148879.0373 300.1939 -67.2830 -30.6397 557660.1640 -1.9446 -1.8635 PRESSURE: 2058600 195.912 -80.244 -161.773 -80.2445 -46.828 90.8392 -161.773 90.8404 -121.625 GPRESSURE: 2058600 208.909 -150.3 -112.393 -110.05 -19.2273 157.945 -189.128 128.499 -73.1766 PRESSAVG: 2058600 7.50828 26.9987 2.36219 26.9986 -5.31647 -6.7948 2.36223 -6.79483 13.6557 GPRESSAVG: 2058600 7.26233 28.2339 1.53352 27.6275 -4.82895 -4.57272 3.45469 -8.7601 13.4069 TIMING: 2058600 CPU: 6148.03, 0.00297836/step Wall: 6148.03, 0.00297836/step, 2.43348 hours remaining, 206.777344 MB of memory in use. ENERGY: 2058600 730.4114 2119.7982 1930.6159 118.1678 -206167.2980 17858.3726 0.0000 0.0000 34456.0753 -148953.8569 300.9135 -183409.9321 -148862.2931 300.3356 9.1530 38.8351 558137.0204 5.2825 5.2801 PRESSURE: 2058800 248.37 -59.4678 38.4063 -59.4673 14.5959 -51.1902 38.4063 -51.1914 23.8984 GPRESSURE: 2058800 277.469 -10.8466 37.9486 -103.138 124.794 15.2548 -10.2105 -44.1495 -17.3664 PRESSAVG: 2058800 63.289 37.9468 -38.7984 37.9468 -1.06812 7.0944 -38.7983 7.09438 -33.7284 GPRESSAVG: 2058800 64.1862 37.6947 -39.4955 36.9436 -0.95912 7.12994 -39.6881 7.19055 -33.8984 TIMING: 2058800 CPU: 6148.63, 0.00298728/step Wall: 6148.63, 0.00298728/step, 2.44061 hours remaining, 206.777344 MB of memory in use. ENERGY: 2058800 743.4349 2088.0707 1923.0752 100.8281 -206458.4135 17988.3872 0.0000 0.0000 34482.4734 -149132.1441 301.1440 -183614.6175 -149036.1429 299.5376 95.6213 128.2986 557563.4197 9.4975 9.7762 PRESSURE: 2059000 -193.866 -60.9657 -7.09954 -60.9649 -89.6193 50.9647 -7.09979 50.964 -96.045 GPRESSURE: 2059000 -162.432 -2.59658 11.1534 -61.0453 26.1685 43.3373 -9.22705 63.6415 -131.529 PRESSAVG: 2059000 -17.1058 -39.3961 -7.4761 -39.3961 10.3883 -42.1689 -7.47617 -42.1689 9.72848 GPRESSAVG: 2059000 -17.7965 -38.0266 -6.62834 -38.9495 10.9406 -43.0605 -6.80175 -41.4769 9.48237 TIMING: 2059000 CPU: 6149.23, 0.00300486/step Wall: 6149.23, 0.00300486/step, 2.45481 hours remaining, 206.777344 MB of memory in use. ENERGY: 2059000 759.1602 2133.3393 1906.2255 107.3738 -206033.7839 17646.8326 0.0000 0.0000 34375.1605 -149105.6919 300.2068 -183480.8525 -149012.2969 300.2205 -126.5100 -89.2642 556729.2342 1.0037 0.8755 PRESSURE: 2059200 143.799 -78.6426 133.583 -78.643 55.9701 -75.2874 133.585 -75.2876 108.316 GPRESSURE: 2059200 134.858 -24.3075 73.7348 -132.956 96.7536 80.4902 199.963 -89.7388 175.945 PRESSAVG: 2059200 2.43718 27.7102 20.8551 27.7101 -8.72525 7.32533 20.8552 7.32534 6.28739 GPRESSAVG: 2059200 2.13479 25.5182 20.319 25.9724 -8.79629 7.84369 20.9544 5.18419 6.37257 TIMING: 2059200 CPU: 6149.84, 0.00302822/step Wall: 6149.84, 0.00302822/step, 2.47372 hours remaining, 206.777344 MB of memory in use. ENERGY: 2059200 736.2411 2094.8658 1911.7758 112.6607 -206202.6606 17903.3423 0.0000 0.0000 34326.3023 -149117.4726 299.7801 -183443.7749 -149022.3875 299.7526 102.6951 135.8521 556181.6451 -0.0002 -0.0963 PRESSURE: 2059400 -214.746 -85.3915 -108.57 -85.3912 -44.7159 31.3331 -108.569 31.3342 -322.885 GPRESSURE: 2059400 -154.587 -31.6504 -106.627 -184.087 -54.2252 66.8413 -83.0692 -40.4669 -272.541 PRESSAVG: 2059400 17.7379 -11.3645 31.0362 -11.3646 16.773 -14.6764 31.0362 -14.6763 -13.2584 GPRESSAVG: 2059400 18.4466 -9.39645 32.4426 -9.63266 15.6594 -15.1114 30.9226 -12.4202 -12.7457 TIMING: 2059400 CPU: 6150.43, 0.00299366/step Wall: 6150.43, 0.00299366/step, 2.44533 hours remaining, 206.777344 MB of memory in use. ENERGY: 2059400 752.7434 2106.0622 1926.6195 109.5123 -205845.2322 17422.9113 0.0000 0.0000 34226.9087 -149300.4748 298.9121 -183527.3835 -149203.3755 299.0017 -194.1159 -160.4510 556684.5630 7.0842 7.1201 PRESSURE: 2059600 155.213 -10.5217 11.4482 -10.5216 178.668 101.408 11.4485 101.408 -143.473 GPRESSURE: 2059600 172.233 -10.0961 24.7867 -21.3376 237.552 24.858 29.5979 63.189 -117.272 PRESSAVG: 2059600 3.28792 0.0304203 27.3469 0.0302832 -15.9569 10.7267 27.3469 10.7267 22.5352 GPRESSAVG: 2059600 2.88638 -1.75376 26.1093 2.35279 -14.8384 8.83144 28.435 10.6715 21.1382 TIMING: 2059600 CPU: 6151.03, 0.00298309/step Wall: 6151.03, 0.00298309/step, 2.43652 hours remaining, 206.777344 MB of memory in use. ENERGY: 2059600 773.3784 2097.6689 1941.2925 122.8180 -206653.4014 17998.2306 0.0000 0.0000 34238.5419 -149481.4710 299.0137 -183720.0130 -149384.9839 299.1004 63.4697 97.5045 556101.9651 3.2887 3.0620 PRESSURE: 2059800 113.204 -145.302 66.4265 -145.302 32.6107 -51.5116 66.4248 -51.5108 53.002 GPRESSURE: 2059800 153.184 -115.564 141.109 -162.644 46.4799 -137.291 -27.6889 61.7403 97.838 PRESSAVG: 2059800 18.5048 -38.216 47.1952 -38.2161 15.5355 -109.735 47.1952 -109.735 8.25534 GPRESSAVG: 2059800 18.9592 -36.3591 48.0847 -41.6606 14.9132 -105.989 45.8557 -110.301 8.50143 TIMING: 2059800 CPU: 6151.64, 0.00302186/step Wall: 6151.64, 0.00302186/step, 2.46802 hours remaining, 206.777344 MB of memory in use. ENERGY: 2059800 732.2907 2086.9351 1953.6226 126.2630 -206207.9571 17824.1800 0.0000 0.0000 34073.3892 -149411.2766 297.5714 -183484.6657 -149318.1458 299.3489 66.2723 99.1673 555191.2252 14.0985 14.1246 PRESSURE: 2060000 -199.7 74.3701 -224.159 74.3713 298.365 65.7021 -224.159 65.7028 72.6275 GPRESSURE: 2060000 -136.616 -61.4024 -281.534 207.877 238.719 117.911 -193.106 16.6334 159.195 PRESSAVG: 2060000 -26.9319 10.8586 23.0809 10.8586 -9.48556 -39.5472 23.0808 -39.5472 57.697 GPRESSAVG: 2060000 -27.9701 9.58992 19.9916 11.8874 -11.5027 -40.4232 23.0978 -38.7208 61.2469 TIMING: 2060000 CPU: 6152.24, 0.00303615/step Wall: 6152.24, 0.00303615/step, 2.47952 hours remaining, 206.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2060000 739.1656 2066.6388 1911.9971 104.8851 -206431.3533 17861.3029 0.0000 0.0000 34413.7983 -149333.5656 300.5443 -183747.3638 -149236.8349 298.5582 57.0974 87.0989 555302.7078 7.0932 7.2580 PRESSURE: 2060200 24.4698 0.468173 57.3619 0.468081 153.347 -26.9187 57.3622 -26.9187 -132.429 GPRESSURE: 2060200 28.3567 61.6974 111.113 8.28796 162.142 21.4461 22.2434 -122.81 -50.7987 PRESSAVG: 2060200 26.6676 27.842 7.71095 27.8421 -78.2994 -14.3249 7.71089 -14.3249 45.3909 GPRESSAVG: 2060200 27.8345 26.3681 10.3805 30.2145 -76.9672 -14.1933 6.12763 -15.9167 43.0452 TIMING: 2060200 CPU: 6152.85, 0.0030447/step Wall: 6152.85, 0.0030447/step, 2.48634 hours remaining, 206.777344 MB of memory in use. ENERGY: 2060200 719.3058 2144.2634 1920.5246 123.2022 -206377.0469 17676.5903 0.0000 0.0000 34341.7137 -149451.4469 299.9147 -183793.1606 -149351.4351 299.3154 15.1295 46.5668 556529.9269 -2.0803 -2.0292 LDB: ============= START OF LOAD BALANCING ============== 6156.4 LDB: ============== END OF LOAD BALANCING =============== 6156.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6156.4 LDB: ============= START OF LOAD BALANCING ============== 6156.7 LDB: Largest compute 4773 load 0.026889 is 22.7% of average load 0.118251 LDB: Average compute 0.001736 is 1.5% of average load 0.118251 LDB: TIME 6156.71 LOAD: AVG 0.118251 MAX 0.211656 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 6156.71 LOAD: AVG 0.118251 MAX 0.211656 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.684 MB LDB: TIME 6156.71 LOAD: AVG 0.118251 MAX 0.211656 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.684 MB LDB: ============== END OF LOAD BALANCING =============== 6156.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6156.71 PRESSURE: 2060400 -101.668 141.351 23.284 141.351 222.885 -25.4063 23.2836 -25.4059 215.987 GPRESSURE: 2060400 -24.3145 157.327 -39.3927 121.271 228.817 -40.7515 -65.807 -44.379 240.653 PRESSAVG: 2060400 -89.667 20.3794 -6.56449 20.3794 18.3731 29.226 -6.5645 29.2259 21.361 GPRESSAVG: 2060400 -89.1584 21.6733 -7.94142 19.9664 18.3733 28.6273 -5.91359 31.8334 21.6505 TIMING: 2060400 CPU: 6153.46, 0.00305985/step Wall: 6153.46, 0.00305985/step, 2.49854 hours remaining, 207.484375 MB of memory in use. ENERGY: 2060400 715.7004 2165.5265 1923.0438 113.5722 -206339.2773 17852.5113 0.0000 0.0000 34183.3450 -149385.5781 298.5317 -183568.9231 -149292.4964 298.8477 112.4012 148.3851 557501.9999 -16.6443 -16.3782 PRESSURE: 2060600 254.16 88.3995 225.712 88.4003 28.9706 -124.213 225.713 -124.213 -33.5004 GPRESSURE: 2060600 349.688 45.8238 203.574 112.52 57.4302 -50.206 218.301 -171.006 -50.8803 PRESSAVG: 2060600 -35.4912 38.5542 -9.50586 38.5542 -4.41135 24.7934 -9.50596 24.7934 20.3951 GPRESSAVG: 2060600 -35.573 38.5093 -7.59492 37.021 -4.82196 25.8847 -8.01808 22.8118 21.2597 TIMING: 2060600 CPU: 6154.06, 0.00300639/step Wall: 6154.06, 0.00300639/step, 2.45472 hours remaining, 207.484375 MB of memory in use. ENERGY: 2060600 735.6196 2080.2372 1922.7362 117.4045 -206222.8417 17771.9600 0.0000 0.0000 34201.4977 -149393.3865 298.6902 -183594.8842 -149291.8502 299.2274 83.2102 118.7461 556247.5804 -6.5025 -6.3784 PRESSURE: 2060800 -223.407 141.505 47.1084 141.505 -290.365 105.27 47.1081 105.269 -11.7289 GPRESSURE: 2060800 -184.66 178.706 19.718 20.8095 -246.529 125.965 31.2841 125.199 -6.45013 PRESSAVG: 2060800 41.2944 -10.7587 10.9288 -10.7587 -23.0141 32.4195 10.9288 32.4197 -14.7039 GPRESSAVG: 2060800 40.6761 -12.0869 8.01755 -11.9031 -21.711 31.2946 9.27715 33.2886 -15.5854 TIMING: 2060800 CPU: 6154.66, 0.00298188/step Wall: 6154.66, 0.00298188/step, 2.43454 hours remaining, 207.484375 MB of memory in use. ENERGY: 2060800 762.5227 2081.3202 1932.5878 112.6247 -206271.1773 17655.3433 0.0000 0.0000 34236.8412 -149489.9375 298.9988 -183726.7787 -149390.3759 298.8324 -175.1669 -145.8798 558188.9047 1.1921 1.1266 PRESSURE: 2061000 80.7163 18.7091 -51.4327 18.709 -82.9563 -21.3252 -51.4335 -21.3253 -2.0882 GPRESSURE: 2061000 125.636 -3.57296 -75.4072 -9.85312 -39.9494 16.837 -90.3715 -30.0169 9.22167 PRESSAVG: 2061000 -17.2794 9.94962 6.85581 9.94951 -3.9882 37.8293 6.85577 37.8294 -26.9314 GPRESSAVG: 2061000 -16.1298 12.2158 6.26497 9.79672 -5.64356 37.09 8.65768 38.5282 -26.8507 TIMING: 2061000 CPU: 6155.25, 0.0029677/step Wall: 6155.25, 0.0029677/step, 2.4228 hours remaining, 207.484375 MB of memory in use. ENERGY: 2061000 766.1319 2092.1400 1933.2415 117.1688 -206740.6366 17993.9448 0.0000 0.0000 34280.5671 -149557.4425 299.3807 -183838.0095 -149458.6530 299.0116 -1.4427 31.6361 557260.8256 -16.0663 -16.2080 PRESSURE: 2061200 129.228 -156.391 78.5364 -156.389 166.119 37.4086 78.5362 37.4084 4.87197 GPRESSURE: 2061200 180.089 -228.525 -2.54393 -35.0752 205.738 -6.07012 58.7538 6.7014 5.12448 PRESSAVG: 2061200 -21.0046 -18.9777 7.36674 -18.9777 -0.0693157 21.4405 7.36667 21.4405 4.29945 GPRESSAVG: 2061200 -21.7078 -21.2684 8.60846 -17.3207 1.00372 20.983 7.56336 21.7511 4.45517 TIMING: 2061200 CPU: 6155.85, 0.00298701/step Wall: 6155.85, 0.00298701/step, 2.4384 hours remaining, 207.484375 MB of memory in use. ENERGY: 2061200 711.6360 2082.5007 1918.8393 119.3768 -206514.5359 17933.6472 0.0000 0.0000 34256.3701 -149492.1659 299.1694 -183748.5360 -149395.2764 298.6043 100.0730 130.3171 556721.9210 -5.5915 -5.4163 PRESSURE: 2061400 -232.831 -112.733 -26.2851 -112.734 -226.72 -63.1546 -26.285 -63.1539 -519.954 GPRESSURE: 2061400 -225.566 -36.2791 100.651 -208.202 -160.498 -45.3168 -72.014 -90.3566 -505.993 PRESSAVG: 2061400 -20.6883 48.0775 28.0026 48.0774 36.4337 1.72638 28.0027 1.72633 4.13765 GPRESSAVG: 2061400 -21.0582 48.2989 27.8653 47.5484 37.8719 3.44869 25.9111 0.985206 3.352 TIMING: 2061400 CPU: 6156.46, 0.00301546/step Wall: 6156.46, 0.00301546/step, 2.46145 hours remaining, 207.484375 MB of memory in use. ENERGY: 2061400 752.9854 2116.5432 1934.2512 120.6123 -205855.6238 17436.5318 0.0000 0.0000 33970.0457 -149524.6541 296.6689 -183494.6998 -149428.1986 298.4151 -326.5019 -297.3524 557766.7182 6.6277 6.7219 PRESSURE: 2061600 175.979 -55.8386 -10.259 -55.8409 135.488 -43.3349 -10.2592 -43.3347 -111.211 GPRESSURE: 2061600 178.117 -29.6052 -39.8616 -58.4818 176.979 -29.787 -43.194 -35.677 -61.9155 PRESSAVG: 2061600 -46.5884 6.8523 4.93001 6.85229 64.5475 -13.2706 4.93001 -13.2706 -31.1246 GPRESSAVG: 2061600 -45.9917 9.06086 5.39966 4.25514 63.1367 -13.6325 5.7742 -13.6107 -30.4442 TIMING: 2061600 CPU: 6157.06, 0.00303129/step Wall: 6157.06, 0.00303129/step, 2.47421 hours remaining, 207.484375 MB of memory in use. ENERGY: 2061600 771.2578 2092.5520 1904.3636 111.0971 -206167.6908 17785.7730 0.0000 0.0000 34175.7400 -149326.9074 298.4652 -183502.6474 -149234.0759 298.5637 66.7520 97.7268 555852.6591 -4.3885 -4.4331 PRESSURE: 2061800 -144.993 130.053 -61.6411 130.052 -144.136 66.1608 -61.6419 66.1609 42.1067 GPRESSURE: 2061800 -162.779 237.491 -93.166 86.3976 -60.111 31.1439 -41.1192 64.0103 87.4084 PRESSAVG: 2061800 -40.8284 -16.0516 3.55935 -16.0516 16.8599 -24.4904 3.55941 -24.4904 26.2799 GPRESSAVG: 2061800 -40.5237 -16.0969 1.95143 -14.5915 16.1829 -24.4248 4.56945 -24.4059 27.0932 TIMING: 2061800 CPU: 6157.66, 0.00300097/step Wall: 6157.66, 0.00300097/step, 2.44929 hours remaining, 207.484375 MB of memory in use. ENERGY: 2061800 743.4365 2062.2060 1918.4701 102.0824 -206131.2878 17645.0532 0.0000 0.0000 34155.2401 -149504.7996 298.2862 -183660.0397 -149405.0620 298.4488 -82.3408 -45.1606 556451.8781 0.7705 0.9174 PRESSURE: 2062000 -98.6235 71.0315 -20.442 71.0325 -45.0862 -2.93797 -20.4427 -2.9379 76.5695 GPRESSURE: 2062000 -66.7199 105.638 11.0364 14.5173 -6.3898 -65.205 -11.7961 71.4761 109.016 PRESSAVG: 2062000 -30.3175 19.1746 4.58439 19.1747 -0.656012 -6.42163 4.58439 -6.42158 9.94318 GPRESSAVG: 2062000 -30.4728 17.4998 6.31911 21.895 -0.230046 -5.52982 3.28537 -7.52342 10.0244 TIMING: 2062000 CPU: 6158.26, 0.00301471/step Wall: 6158.26, 0.00301471/step, 2.46034 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2062000 718.2940 2047.3439 1936.9538 111.0945 -206372.3703 17807.5554 0.0000 0.0000 34205.3367 -149545.7919 298.7237 -183751.1286 -149451.8933 298.3647 -22.3801 11.9687 557360.6225 -7.0101 -6.8928 PRESSURE: 2062200 -98.2975 -96.6424 -89.7087 -96.642 -146.371 -113.376 -89.7093 -113.375 67.1312 GPRESSURE: 2062200 -44.4536 -113.154 -32.8892 -42.0756 -180.54 -147.062 -138.072 -48.7258 137.928 PRESSAVG: 2062200 41.8242 70.6178 22.3503 70.6178 18.6006 -25.1467 22.3503 -25.1468 -34.1264 GPRESSAVG: 2062200 41.5032 70.4329 21.4569 70.1025 20.1845 -27.2485 24.2367 -23.6736 -35.325 TIMING: 2062200 CPU: 6158.87, 0.00304178/step Wall: 6158.87, 0.00304178/step, 2.48226 hours remaining, 207.484375 MB of memory in use. ENERGY: 2062200 718.4191 2061.2568 1940.7746 124.4906 -206304.1289 17660.3405 0.0000 0.0000 34209.9714 -149588.8760 298.7642 -183798.8474 -149496.5532 298.2403 -59.1792 -29.0220 556737.0498 8.7662 8.7876 PRESSURE: 2062400 -105.454 51.1463 -45.2654 51.1475 -151.305 90.4628 -45.2645 90.4636 -202.328 GPRESSURE: 2062400 -138.83 -6.47904 -109.628 40.6872 -56.4895 10.3575 -30.4045 129.433 -160.638 PRESSAVG: 2062400 57.4348 30.4464 9.87746 30.4464 -31.8285 -8.75333 9.8774 -8.75328 -31.4767 GPRESSAVG: 2062400 57.0095 29.61 11.2904 31.2937 -32.2144 -8.07042 7.67761 -9.02144 -30.8849 TIMING: 2062400 CPU: 6159.47, 0.00298612/step Wall: 6159.47, 0.00298612/step, 2.43667 hours remaining, 207.484375 MB of memory in use. ENERGY: 2062400 744.7509 2126.3571 1941.4336 107.7041 -205941.6795 17452.2023 0.0000 0.0000 34099.2379 -149469.9937 297.7971 -183569.2315 -149374.7756 298.5035 -153.0293 -118.6524 556056.8040 -1.9568 -2.0299 PRESSURE: 2062600 45.6999 -37.8542 -29.3147 -37.854 8.22752 -127.613 -29.3148 -127.614 -0.949 GPRESSURE: 2062600 83.3817 -76.5418 -32.6104 91.553 50.5439 -183.5 -22.5126 -112.739 21.5672 PRESSAVG: 2062600 64.5805 97.6002 1.49791 97.6002 6.35395 -27.2494 1.49801 -27.2494 -64.0716 GPRESSAVG: 2062600 64.6964 97.4008 1.96931 96.3719 5.1833 -26.6943 2.24881 -29.3086 -63.8824 TIMING: 2062600 CPU: 6160.07, 0.00301084/step Wall: 6160.07, 0.00301084/step, 2.45668 hours remaining, 207.484375 MB of memory in use. ENERGY: 2062600 731.1301 2115.3081 1952.3358 116.8974 -206347.9224 17772.4669 0.0000 0.0000 34136.4505 -149523.3336 298.1221 -183659.7841 -149427.5632 298.7671 17.6595 51.8310 557312.8049 2.2876 1.9991 PRESSURE: 2062800 -366.463 6.96 -20.917 6.96124 -5.71031 -248.256 -20.9155 -248.255 146.557 GPRESSURE: 2062800 -263.889 -4.56974 -3.33041 34.6095 0.181487 -263.346 -24.4155 -336.11 134.079 PRESSAVG: 2062800 -53.578 30.5111 7.47759 30.5112 -15.7951 -40.9843 7.47766 -40.9843 14.3595 GPRESSAVG: 2062800 -53.2694 32.688 7.06269 31.0629 -16.3478 -42.3309 7.44034 -39.9975 14.7092 TIMING: 2062800 CPU: 6160.68, 0.00301484/step Wall: 6160.68, 0.00301484/step, 2.45977 hours remaining, 207.484375 MB of memory in use. ENERGY: 2062800 757.1577 2094.5969 1939.3441 109.3245 -206578.8968 17789.4547 0.0000 0.0000 34370.3621 -149518.6568 300.1649 -183889.0189 -149416.4244 298.2089 -75.2056 -43.2094 556210.6398 -18.3379 -18.3026 PRESSURE: 2063000 202.287 -146.38 -7.78678 -146.38 100.15 -2.83532 -7.7865 -2.83723 200.796 GPRESSURE: 2063000 241.292 -99.8528 52.5082 -120.124 138.686 -2.56464 -42.2534 -51.459 199.642 PRESSAVG: 2063000 2.26598 -15.0424 25.5859 -15.0424 -31.6737 -71.1941 25.5859 -71.1941 20.007 GPRESSAVG: 2063000 2.70584 -16.7306 25.5301 -16.0533 -31.3299 -71.176 25.1913 -69.2633 19.3411 TIMING: 2063000 CPU: 6161.28, 0.00301576/step Wall: 6161.28, 0.00301576/step, 2.46036 hours remaining, 207.484375 MB of memory in use. ENERGY: 2063000 743.1991 2082.4788 1910.0864 97.7573 -206473.2066 18071.0302 0.0000 0.0000 34221.3942 -149347.2606 298.8639 -183568.6548 -149252.5577 298.9535 167.7442 193.2068 556299.8103 -3.1336 -3.0943 PRESSURE: 2063200 64.7641 56.8532 9.96638 56.8534 -131.395 -53.9375 9.96534 -53.937 -283.132 GPRESSURE: 2063200 59.797 15.9982 18.1011 51.1614 6.89389 -30.7753 23.4014 -128.364 -321.394 PRESSAVG: 2063200 40.8395 -47.494 -26.4715 -47.494 8.19505 44.8434 -26.4715 44.8433 -33.4519 GPRESSAVG: 2063200 41.17 -48.8003 -27.657 -46.4482 7.62994 45.3073 -25.9422 43.0651 -33.0321 TIMING: 2063200 CPU: 6161.89, 0.0030329/step Wall: 6161.89, 0.0030329/step, 2.47417 hours remaining, 207.484375 MB of memory in use. ENERGY: 2063200 743.3444 2104.9002 1935.6669 111.6220 -206092.9077 17576.1155 0.0000 0.0000 34188.2003 -149433.0585 298.5741 -183621.2588 -149334.0846 298.0588 -116.5876 -84.9011 556691.1743 5.1942 5.2560 PRESSURE: 2063400 -105.69 -63.9117 45.8366 -63.9109 -174.772 -47.6624 45.8385 -47.6631 -30.5907 GPRESSURE: 2063400 -40.1304 -68.2105 93.0058 -89.7472 -117.142 -66.9923 13.8934 -93.6858 -54.1318 PRESSAVG: 2063400 32.5248 31.9063 -19.0708 31.9063 39.1504 -6.71876 -19.0708 -6.71875 -65.0383 GPRESSAVG: 2063400 32.4927 33.8666 -17.6643 30.2063 38.9703 -7.90004 -18.7237 -4.52376 -64.2895 TIMING: 2063400 CPU: 6162.49, 0.00304266/step Wall: 6162.49, 0.00304266/step, 2.48196 hours remaining, 207.484375 MB of memory in use. ENERGY: 2063400 768.6920 2136.3139 1929.3407 119.2510 -206199.5256 17734.2318 0.0000 0.0000 34178.1226 -149333.5737 298.4860 -183511.6963 -149241.0450 298.3838 -103.6845 -70.4681 557239.9413 2.2123 2.3912 PRESSURE: 2063600 150.185 -88.7016 98.6401 -88.7023 -35.6065 237.195 98.6398 237.196 75.0081 GPRESSURE: 2063600 148.158 -100.911 147.352 -51.0012 -14.7914 254.459 69.2878 250.153 141.111 PRESSAVG: 2063600 -33.2984 -1.75326 -15.2391 -1.75327 43.4448 19.6137 -15.2391 19.6137 15.2883 GPRESSAVG: 2063600 -33.0668 -2.42792 -15.2249 -2.6929 44.7756 19.3645 -16.3334 20.6595 13.0551 TIMING: 2063600 CPU: 6163.09, 0.00300308/step Wall: 6163.09, 0.00300308/step, 2.44951 hours remaining, 207.484375 MB of memory in use. ENERGY: 2063600 745.3542 2024.2123 1935.8897 121.9467 -206206.5205 18006.0433 0.0000 0.0000 34131.0607 -149242.0136 298.0750 -183373.0743 -149155.0545 299.6073 63.1956 91.4926 558356.1208 8.4782 8.2546 PRESSURE: 2063800 -133.474 -165.264 -29.0012 -165.264 -226.51 46.5573 -29.0018 46.5595 -7.51588 GPRESSURE: 2063800 -32.1976 -128.913 -54.5355 -202.402 -208.797 38.8792 -27.2005 123.779 -29.1231 PRESSAVG: 2063800 25.109 -9.05496 -0.288622 -9.05486 -9.79184 -10.937 -0.288588 -10.937 -16.785 GPRESSAVG: 2063800 24.2439 -9.01664 0.644231 -7.85007 -10.8055 -11.1704 -0.949842 -12.1074 -14.5105 TIMING: 2063800 CPU: 6163.69, 0.00299856/step Wall: 6163.69, 0.00299856/step, 2.44566 hours remaining, 207.484375 MB of memory in use. ENERGY: 2063800 810.8191 2080.2428 1948.6014 111.9956 -206261.2864 17863.1337 0.0000 0.0000 34166.5430 -149279.9508 298.3849 -183446.4938 -149190.0272 299.2052 -122.4999 -90.0391 557941.1547 -0.4893 -0.3574 PRESSURE: 2064000 -177.278 4.12986 -68.811 4.13036 -311.048 -71.7478 -68.812 -71.7491 -249.552 GPRESSURE: 2064000 -160.436 -53.7918 -83.471 14.5408 -229.533 -86.6585 -56.0352 -22.6952 -257.768 PRESSAVG: 2064000 -25.887 -42.6449 7.81137 -42.6449 -6.51798 -4.48531 7.81149 -4.48526 26.0421 GPRESSAVG: 2064000 -24.8297 -44.0894 6.51719 -42.3805 -6.79226 -4.07984 8.9239 -6.09641 25.243 TIMING: 2064000 CPU: 6164.29, 0.00297068/step Wall: 6164.29, 0.00297068/step, 2.42276 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2064000 792.8868 2135.4231 1932.1212 112.6085 -206627.7006 17741.1745 0.0000 0.0000 34229.9263 -149683.5603 298.9385 -183913.4866 -149585.5939 299.0824 -245.9592 -215.9123 557856.7148 -2.1210 -2.1263 PRESSURE: 2064200 9.06316 21.6714 -13.0913 21.6725 -112.009 195.067 -13.0911 195.067 -212.782 GPRESSURE: 2064200 -12.6068 -35.3773 0.0818154 177.435 -59.7267 238.001 -24.8 162.917 -142.701 PRESSAVG: 2064200 -9.62513 62.9907 -64.3436 62.9907 5.38366 9.41382 -64.3437 9.41386 42.8329 GPRESSAVG: 2064200 -9.98021 64.3617 -65.1251 62.2105 5.71542 10.6516 -65.5009 9.08575 42.4684 TIMING: 2064200 CPU: 6164.88, 0.00296047/step Wall: 6164.88, 0.00296047/step, 2.41426 hours remaining, 207.484375 MB of memory in use. ENERGY: 2064200 752.3544 2107.9377 1901.6543 116.8214 -206486.3353 17780.2353 0.0000 0.0000 34147.7527 -149679.5795 298.2208 -183827.3322 -149574.5492 298.3141 -105.2427 -71.6783 557776.1504 12.8638 12.7346 LDB: ============= START OF LOAD BALANCING ============== 6168.43 LDB: ============== END OF LOAD BALANCING =============== 6168.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6168.43 LDB: ============= START OF LOAD BALANCING ============== 6168.73 LDB: Largest compute 4773 load 0.028115 is 23.8% of average load 0.118104 LDB: Average compute 0.001730 is 1.5% of average load 0.118104 LDB: TIME 6168.73 LOAD: AVG 0.118104 MAX 0.209262 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.254 MB LDB: TIME 6168.73 LOAD: AVG 0.118104 MAX 0.209262 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.258 MB LDB: TIME 6168.73 LOAD: AVG 0.118104 MAX 0.209262 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.258 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6168.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6168.74 PRESSURE: 2064400 -105.93 -12.8282 -122.337 -12.8293 -16.4772 6.57051 -122.338 6.57143 -183.617 GPRESSURE: 2064400 -71.1417 44.6069 -113.239 -67.9596 -8.47244 64.9568 -144.656 -1.84779 -131.591 PRESSAVG: 2064400 -64.7543 68.2015 -7.28119 68.2014 82.958 -6.08164 -7.28127 -6.0818 12.1279 GPRESSAVG: 2064400 -65.5639 69.0104 -7.58947 68.2304 83.5493 -8.47873 -4.27917 -4.04983 12.279 TIMING: 2064400 CPU: 6165.49, 0.00304099/step Wall: 6165.49, 0.00304099/step, 2.47976 hours remaining, 206.957031 MB of memory in use. ENERGY: 2064400 731.8757 2122.2214 1923.2328 110.3774 -206684.6504 17803.1959 0.0000 0.0000 34329.8846 -149663.8625 299.8114 -183993.7471 -149571.4335 298.0840 -102.0082 -70.4017 555835.3611 10.1106 10.0881 PRESSURE: 2064600 15.2715 -201.747 51.5598 -201.748 -24.1571 99.4656 51.5606 99.4652 -129.488 GPRESSURE: 2064600 6.12911 -159.618 -12.811 -154.972 31.4417 171.572 38.9259 -4.14819 -86.8342 PRESSAVG: 2064600 46.5396 40.6259 -30.9658 40.6259 42.768 6.9314 -30.9657 6.93148 -16.9571 GPRESSAVG: 2064600 47.6392 41.3648 -27.8738 38.6667 41.9666 9.66444 -34.8341 5.93245 -16.7757 TIMING: 2064600 CPU: 6166.08, 0.00296479/step Wall: 6166.08, 0.00296479/step, 2.41745 hours remaining, 207.160156 MB of memory in use. ENERGY: 2064600 713.7757 2119.0898 1944.7526 121.8129 -206223.4089 17808.1979 0.0000 0.0000 34022.3684 -149493.4116 297.1258 -183515.7799 -149394.9336 298.4285 -46.1244 -16.4211 557064.6743 24.1168 24.2767 PRESSURE: 2064800 -181.812 -27.0471 20.1987 -27.0481 -58.7153 -17.3077 20.1984 -17.3085 78.6693 GPRESSURE: 2064800 -181.084 -60.9193 81.2234 54.2153 -31.8788 -2.76361 71.8536 -47.1727 141.185 PRESSAVG: 2064800 -1.73843 12.4821 -16.8898 12.482 1.55049 51.3758 -16.8898 51.3758 -5.35396 GPRESSAVG: 2064800 -2.41062 12.2354 -19.1715 13.5926 2.16157 50.4323 -16.4915 52.3407 -5.07536 TIMING: 2064800 CPU: 6166.67, 0.00296467/step Wall: 6166.67, 0.00296467/step, 2.41719 hours remaining, 207.160156 MB of memory in use. ENERGY: 2064800 701.5444 2042.7779 1937.1815 120.7797 -206241.2616 17597.0644 0.0000 0.0000 34331.0237 -149510.8900 299.8214 -183841.9137 -149411.9682 298.9902 -53.9526 -23.9257 555959.0212 -1.8473 -1.7748 PRESSURE: 2065000 170.373 205.609 -150.602 205.609 69.2622 -29.8736 -150.602 -29.8753 -38.7258 GPRESSURE: 2065000 132.152 169.493 -117.224 220.652 155.092 -27.2217 -227.61 -27.8981 6.07679 PRESSAVG: 2065000 9.60892 40.5652 -7.95912 40.5652 40.1767 -8.71003 -7.95906 -8.71002 -52.2578 GPRESSAVG: 2065000 9.53428 37.9852 -4.55372 43.0784 40.5249 -10.1016 -9.49395 -8.78901 -52.6023 TIMING: 2065000 CPU: 6167.27, 0.00295764/step Wall: 6167.27, 0.00295764/step, 2.4113 hours remaining, 207.160156 MB of memory in use. ENERGY: 2065000 761.5474 2036.5669 1930.1401 115.6660 -206557.4600 17947.5717 0.0000 0.0000 34356.2288 -149409.7390 300.0415 -183765.9678 -149319.1199 298.3202 66.9697 97.7739 556040.7267 -0.8241 -0.8477 PRESSURE: 2065200 -31.3708 -160.81 -121.704 -160.809 -183.757 -80.6048 -121.703 -80.6048 88.3149 GPRESSURE: 2065200 -6.3562 -63.6797 -49.1706 -92.6521 -131.817 -23.1726 -169.243 -138.739 116.723 PRESSAVG: 2065200 -25.0694 -19.2988 -22.4363 -19.2988 -10.5076 -34.7906 -22.4363 -34.7905 -42.6404 GPRESSAVG: 2065200 -24.6559 -18.7957 -25.9422 -19.1353 -11.5235 -34.5431 -19.9056 -35.2207 -42.0311 TIMING: 2065200 CPU: 6167.86, 0.00298639/step Wall: 6167.86, 0.00298639/step, 2.43458 hours remaining, 207.160156 MB of memory in use. ENERGY: 2065200 730.3731 2034.3751 1935.3725 116.0344 -206279.5653 17759.6360 0.0000 0.0000 34206.5494 -149497.2248 298.7343 -183703.7741 -149402.4329 298.4915 -42.2708 -7.1501 556390.5200 -26.0725 -26.0702 PRESSURE: 2065400 65.2873 -54.5499 -119.904 -54.5497 -18.0629 -306.141 -119.905 -306.141 -124.423 GPRESSURE: 2065400 93.5453 -62.0819 -153.736 -38.0671 -1.21309 -319.908 -133.284 -254.109 -74.2761 PRESSAVG: 2065400 76.1414 -53.1429 -5.90531 -53.143 -48.3003 -44.4039 -5.9052 -44.404 2.25667 GPRESSAVG: 2065400 75.2641 -52.0814 -5.99491 -56.4633 -47.964 -44.3107 -5.94767 -44.7732 3.18649 TIMING: 2065400 CPU: 6168.46, 0.0029912/step Wall: 6168.46, 0.0029912/step, 2.43833 hours remaining, 207.160156 MB of memory in use. ENERGY: 2065400 726.9210 2033.3758 1940.0293 98.8017 -206443.7930 17904.2205 0.0000 0.0000 34287.7693 -149452.6754 299.4436 -183740.4446 -149351.3315 298.9293 -25.7330 6.0187 559001.2811 10.0326 10.1622 PRESSURE: 2065600 -128.078 16.9033 72.4396 16.9018 118.085 49.5665 72.4387 49.5656 150.063 GPRESSURE: 2065600 -75.5284 69.041 52.7056 75.6054 115.898 116.867 105.128 38.4212 196.419 PRESSAVG: 2065600 -14.8491 -1.1392 15.3207 -1.13922 -17.0478 1.00275 15.3206 1.00269 0.872246 GPRESSAVG: 2065600 -16.1179 -1.73626 15.4655 2.51574 -16.3194 3.78037 15.1387 3.28843 1.20251 TIMING: 2065600 CPU: 6169.05, 0.00296622/step Wall: 6169.05, 0.00296622/step, 2.4178 hours remaining, 207.160156 MB of memory in use. ENERGY: 2065600 741.6048 2062.8480 1986.9599 117.9498 -206769.3730 18127.5909 0.0000 0.0000 34265.6576 -149466.7622 299.2505 -183732.4198 -149361.8013 298.4518 46.6898 78.9295 557421.1263 -10.3415 -10.4116 PRESSURE: 2065800 -210.711 -82 231.136 -82.0014 307.275 109.812 231.136 109.811 -137.588 GPRESSURE: 2065800 -169.621 -141.287 204.259 -145.873 311.43 85.2471 205.284 132.342 -87.4436 PRESSAVG: 2065800 -25.5354 0.167175 68.6442 0.167092 36.9358 -18.1463 68.6441 -18.1464 -19.5223 GPRESSAVG: 2065800 -23.1604 1.82355 69.3293 -4.67973 35.5584 -18.8941 67.9778 -17.5434 -20.2044 TIMING: 2065800 CPU: 6169.64, 0.00294835/step Wall: 6169.64, 0.00294835/step, 2.40307 hours remaining, 207.160156 MB of memory in use. ENERGY: 2065800 742.3779 2085.1484 1939.5170 114.6788 -206246.2694 17714.6992 0.0000 0.0000 34103.4365 -149546.4117 297.8338 -183649.8481 -149446.8721 298.0392 -13.6745 18.1218 556586.2009 -2.7073 -2.6022 PRESSURE: 2066000 -203.519 105.527 105.178 105.526 -366.189 -39.9838 105.177 -39.984 -175.063 GPRESSURE: 2066000 -173.895 62.9378 100.922 56.2808 -325.926 5.09043 126.138 -103.675 -153.9 PRESSAVG: 2066000 -6.742 -15.729 -11.3739 -15.729 -3.36055 42.8937 -11.3739 42.8935 21.1676 GPRESSAVG: 2066000 -8.31223 -19.4733 -11.7064 -11.2149 -1.35558 42.0061 -10.2292 39.3928 20.5701 TIMING: 2066000 CPU: 6170.23, 0.00294924/step Wall: 6170.23, 0.00294923/step, 2.40363 hours remaining, 207.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2066000 801.5788 2105.1165 1903.1547 114.8808 -206301.6702 17540.3613 0.0000 0.0000 34398.8532 -149437.7249 300.4137 -183836.5781 -149339.9732 298.8803 -248.2569 -217.9071 556168.1970 3.6883 3.6341 PRESSURE: 2066200 306.475 30.0119 -131.583 30.0129 -166.201 -105.014 -131.583 -105.014 -124.08 GPRESSURE: 2066200 324.196 -30.4433 -149.236 49.1601 -55.0068 -17.3112 7.47617 -109.307 -157.691 PRESSAVG: 2066200 39.1491 -7.87628 6.35399 -7.87629 39.932 -41.7222 6.35398 -41.7222 -76.8691 GPRESSAVG: 2066200 40.4669 -4.93135 8.10998 -11.332 38.8076 -42.8907 5.50595 -38.4145 -77.3027 TIMING: 2066200 CPU: 6170.83, 0.00297946/step Wall: 6170.83, 0.00297946/step, 2.42809 hours remaining, 207.160156 MB of memory in use. ENERGY: 2066200 769.8336 2104.4900 1922.8997 115.8892 -206239.3652 17771.6360 0.0000 0.0000 34152.1408 -149402.4760 298.2591 -183554.6168 -149311.4084 298.5053 5.3979 37.1660 555855.0576 0.7373 0.6572 PRESSURE: 2066400 -76.2745 88.954 -66.0107 88.9544 234.954 111.193 -66.0106 111.194 194.49 GPRESSURE: 2066400 -103.212 13.5446 -151.697 16.7073 309.585 116.15 17.0934 116.266 259.562 PRESSAVG: 2066400 27.1692 -27.9215 -10.978 -27.9214 23.608 3.22447 -10.978 3.2245 -8.21546 GPRESSAVG: 2066400 26.333 -30.8678 -13.1809 -27.7177 23.8282 3.71826 -9.35922 3.91652 -8.19161 TIMING: 2066400 CPU: 6171.42, 0.00295115/step Wall: 6171.42, 0.00295115/step, 2.40486 hours remaining, 207.160156 MB of memory in use. ENERGY: 2066400 748.9494 2073.0024 1951.4107 120.2036 -206348.4492 17823.3540 0.0000 0.0000 34217.9816 -149413.5474 298.8341 -183631.5290 -149316.4358 299.3824 117.7230 155.3116 554496.3696 14.1872 13.9899 PRESSURE: 2066600 -83.1055 69.5207 -34.4785 69.521 43.8724 -94.9428 -34.4804 -94.9435 -60.3002 GPRESSURE: 2066600 17.9641 66.7101 -59.4427 87.9835 89.5425 -77.4759 50.1137 -52.1056 -116.475 PRESSAVG: 2066600 -60.6812 25.4541 -25.6854 25.4541 38.3945 61.0448 -25.6854 61.0449 8.80202 GPRESSAVG: 2066600 -60.9091 28.1271 -25.3195 26.4774 38.1317 61.0604 -27.8561 57.9125 9.20741 TIMING: 2066600 CPU: 6172.02, 0.0029773/step Wall: 6172.02, 0.0029773/step, 2.42601 hours remaining, 207.160156 MB of memory in use. ENERGY: 2066600 743.4109 2108.1658 1914.6427 116.4246 -206018.4097 17584.9758 0.0000 0.0000 34231.3393 -149319.4507 298.9508 -183550.7900 -149216.6366 298.7612 -33.1778 -2.9896 555744.2577 -4.4949 -4.5233 PRESSURE: 2066800 -73.7489 -194.303 49.7779 -194.303 -43.1495 87.7406 49.7769 87.7402 -389.021 GPRESSURE: 2066800 -10.3671 -237.793 -33.962 -153.356 -40.6201 54.8658 130.052 108.112 -352.604 PRESSAVG: 2066800 45.8975 -91.9787 37.3673 -91.9787 31.8761 10.5383 37.3672 10.5382 -69.102 GPRESSAVG: 2066800 45.4166 -92.0498 38.1222 -92.0673 32.9151 9.81149 38.3125 11.6972 -69.3451 TIMING: 2066800 CPU: 6172.61, 0.00297093/step Wall: 6172.61, 0.00297093/step, 2.42064 hours remaining, 207.160156 MB of memory in use. ENERGY: 2066800 748.9427 2071.6047 1912.9056 109.6719 -205811.8708 17493.4707 0.0000 0.0000 34239.4577 -149235.8175 299.0217 -183475.2752 -149144.2622 299.5235 -168.6399 -134.5304 557195.3450 2.8905 2.9955 PRESSURE: 2067000 -32.098 130.525 -67.2834 130.525 46.6563 -83.6466 -67.2827 -83.6455 -25.2551 GPRESSURE: 2067000 28.4722 84.2112 -21.9635 164.901 63.7459 -30.2601 -6.44876 -89.8877 -1.25378 PRESSAVG: 2067000 41.0973 -46.3271 49.6881 -46.3271 25.4736 14.4453 49.6881 14.4453 -61.2419 GPRESSAVG: 2067000 41.4043 -46.5533 50.1712 -47.4349 24.2979 15.8372 48.0817 15.5148 -60.312 TIMING: 2067000 CPU: 6173.21, 0.00298491/step Wall: 6173.21, 0.00298491/step, 2.43188 hours remaining, 207.160156 MB of memory in use. ENERGY: 2067000 762.5832 2098.0494 1952.3452 119.5816 -206276.7487 17875.9017 0.0000 0.0000 34255.7910 -149212.4966 299.1643 -183468.2876 -149108.7273 299.8195 -3.5656 30.3215 557949.6784 1.7763 1.7967 PRESSURE: 2067200 -245.287 -128.878 -53.1123 -128.878 76.3634 -224.76 -53.1123 -224.76 -380.669 GPRESSURE: 2067200 -140.968 -156.563 8.85833 -149.805 61.9171 -196.859 -116.923 -232.816 -374.24 PRESSAVG: 2067200 -52.2187 -2.98951 19.8391 -2.98949 44.267 50.9698 19.839 50.9698 -24.6974 GPRESSAVG: 2067200 -52.7241 -4.84639 17.9535 -0.575287 45.2519 50.4921 20.5729 49.8655 -25.4447 TIMING: 2067200 CPU: 6173.8, 0.00296248/step Wall: 6173.8, 0.00296248/step, 2.41343 hours remaining, 207.160156 MB of memory in use. ENERGY: 2067200 772.3631 2130.7081 1932.0611 113.6231 -205954.5113 17627.4039 0.0000 0.0000 34432.8230 -148945.5289 300.7104 -183378.3519 -148846.8585 299.7926 -183.1976 -151.0969 558565.0989 -10.8830 -10.9723 PRESSURE: 2067400 -58.6872 0.677728 -71.073 0.679083 70.913 6.81583 -71.0716 6.81613 -108.557 GPRESSURE: 2067400 -44.7909 -1.05097 -179.634 7.48138 96.5248 -38.807 -1.61198 23.2315 -47.6415 PRESSAVG: 2067400 -2.2276 -67.4323 -22.8013 -67.4323 0.56099 -2.73568 -22.8014 -2.73564 -20.1977 GPRESSAVG: 2067400 -1.25992 -67.0068 -22.7172 -67.4744 0.643411 -3.65177 -20.8986 -1.95803 -20.8543 TIMING: 2067400 CPU: 6174.39, 0.00296505/step Wall: 6174.39, 0.00296505/step, 2.41536 hours remaining, 207.160156 MB of memory in use. ENERGY: 2067400 736.4698 2143.5220 1967.7837 116.7178 -205895.0605 17646.6546 0.0000 0.0000 34332.3005 -148951.6122 299.8325 -183283.9127 -148861.9781 300.4307 -32.1105 1.3641 558796.4667 -7.2881 -7.1569 PRESSURE: 2067600 35.3877 415.352 5.60476 415.354 -60.5662 138.909 5.60439 138.908 27.5226 GPRESSURE: 2067600 64.0587 402.781 -7.55644 253.693 15.971 22.4738 27.2267 156.214 23.289 PRESSAVG: 2067600 -20.4117 57.7884 -12.1616 57.7884 43.2779 -8.1455 -12.1616 -8.14539 -12.7275 GPRESSAVG: 2067600 -21.4869 57.3336 -11.6235 56.3889 43.3126 -7.41145 -14.3388 -10.1624 -12.0465 TIMING: 2067600 CPU: 6174.99, 0.00298564/step Wall: 6174.99, 0.00298564/step, 2.43197 hours remaining, 207.160156 MB of memory in use. ENERGY: 2067600 735.7181 2082.4160 1941.9506 116.3327 -206019.7865 17960.8231 0.0000 0.0000 34194.9739 -148987.5722 298.6332 -183182.5461 -148891.5696 300.0131 0.7814 34.4395 559749.2986 3.3796 3.2597 PRESSURE: 2067800 294.307 63.3376 -183.957 63.3401 -44.6801 98.2714 -183.957 98.2701 -264.218 GPRESSURE: 2067800 312.198 65.4035 -173.25 89.9344 -24.4322 104.792 -120.717 72.4855 -200.09 PRESSAVG: 2067800 28.9643 66.8617 -37.2722 66.8617 -48.6516 -1.75806 -37.2723 -1.75816 31.0116 GPRESSAVG: 2067800 28.8842 66.9741 -35.0979 65.5798 -48.4801 -2.49267 -38.5277 -0.51865 30.7531 TIMING: 2067800 CPU: 6175.59, 0.00297966/step Wall: 6175.59, 0.00297966/step, 2.42693 hours remaining, 207.160156 MB of memory in use. ENERGY: 2067800 743.8963 2059.7179 1956.2748 112.1580 -206359.9787 18054.2452 0.0000 0.0000 34406.7353 -149026.9512 300.4826 -183433.6865 -148933.3393 300.1170 -4.8639 29.2253 560013.3947 3.7748 3.7191 PRESSURE: 2068000 -118.496 -105.033 -45.846 -105.034 17.2767 -34.0661 -45.8459 -34.0663 84.1357 GPRESSURE: 2068000 -84.551 -59.4897 -125.622 -185.884 113.038 -77.8869 -30.2197 -16.7738 62.5685 PRESSAVG: 2068000 57.3064 -28.7254 -47.0438 -28.7254 -26.7784 40.7504 -47.0438 40.7504 -6.76519 GPRESSAVG: 2068000 57.8559 -29.5832 -49.0338 -26.9468 -26.6931 43.261 -45.4211 40.5654 -7.17445 TIMING: 2068000 CPU: 6176.18, 0.0029551/step Wall: 6176.18, 0.0029551/step, 2.40676 hours remaining, 207.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2068000 730.7644 2121.9273 1943.3995 114.6094 -206209.9176 17924.1065 0.0000 0.0000 34414.8311 -148960.2794 300.5533 -183375.1105 -148853.3984 299.8888 -5.6947 30.3518 558535.0798 7.9209 7.9961 PRESSURE: 2068200 -74.6985 64.4269 98.6508 64.4262 -302.583 4.44301 98.6506 4.44309 -338.105 GPRESSURE: 2068200 -118.064 17.541 105.738 -1.22866 -228.896 21.8238 103.816 -38.6628 -273.999 PRESSAVG: 2068200 -42.657 20.9076 -13.455 20.9075 76.1878 -29.0891 -13.4551 -29.0892 -28.3145 GPRESSAVG: 2068200 -42.771 19.4986 -14.6872 22.2785 75.432 -31.6482 -12.8548 -30.5049 -27.0873 TIMING: 2068200 CPU: 6176.77, 0.00297412/step Wall: 6176.77, 0.00297412/step, 2.42209 hours remaining, 207.160156 MB of memory in use. ENERGY: 2068200 748.3943 2064.5017 1948.4525 106.0236 -205653.2831 17529.8125 0.0000 0.0000 34224.4082 -149031.6903 298.8903 -183256.0985 -148934.7879 300.2203 -238.4622 -206.9863 559311.7401 1.7388 1.8579 LDB: ============= START OF LOAD BALANCING ============== 6180.32 LDB: ============== END OF LOAD BALANCING =============== 6180.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6180.32 LDB: ============= START OF LOAD BALANCING ============== 6180.62 LDB: Largest compute 4773 load 0.029432 is 24.9% of average load 0.118173 LDB: Average compute 0.001736 is 1.5% of average load 0.118173 LDB: TIME 6180.63 LOAD: AVG 0.118173 MAX 0.208791 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.988 MB LDB: TIME 6180.63 LOAD: AVG 0.118173 MAX 0.208791 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.992 MB LDB: TIME 6180.63 LOAD: AVG 0.118173 MAX 0.208791 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.992 MB LDB: ============== END OF LOAD BALANCING =============== 6180.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6180.63 PRESSURE: 2068400 -168.616 10.292 203.112 10.2911 12.9748 96.7616 203.112 96.7613 -378.328 GPRESSURE: 2068400 -124.825 -74.4376 142.759 110.834 5.60205 176.906 192.417 18.8204 -317.363 PRESSAVG: 2068400 -13.1333 19.2967 8.66132 19.2967 -6.80204 40.0342 8.66137 40.0342 -35.8719 GPRESSAVG: 2068400 -12.894 19.2032 9.93085 19.8713 -5.98721 39.4333 8.05372 42.0106 -36.4621 TIMING: 2068400 CPU: 6177.38, 0.00306185/step Wall: 6177.38, 0.00306185/step, 2.49337 hours remaining, 208.757812 MB of memory in use. ENERGY: 2068400 748.4732 2098.2533 1950.1709 105.8391 -205710.2543 17459.1122 0.0000 0.0000 34365.1123 -148983.2933 300.1191 -183348.4056 -148885.8882 299.4291 -177.9898 -145.5287 557686.4894 -18.6024 -18.4478 PRESSURE: 2068600 -117.384 42.1093 -87.0397 42.1093 58.4155 -115.903 -87.0386 -115.903 -134.594 GPRESSURE: 2068600 -128.595 78.1499 -129.907 1.08841 96.3969 -38.1793 -43.5944 -110.724 -68.1659 PRESSAVG: 2068600 -7.57461 39.3406 48.5243 39.3405 14.6348 -8.21595 48.5243 -8.21607 -11.7196 GPRESSAVG: 2068600 -7.18101 41.5058 50.4554 38.5667 13.805 -8.14934 46.5266 -7.51448 -11.6763 TIMING: 2068600 CPU: 6177.98, 0.00298165/step Wall: 6177.98, 0.00298165/step, 2.42789 hours remaining, 208.757812 MB of memory in use. ENERGY: 2068600 781.8103 2020.1848 1920.6084 107.5409 -205944.5881 17826.3874 0.0000 0.0000 34484.8168 -148803.2396 301.1645 -183288.0564 -148695.4820 300.0014 -64.5210 -33.4545 558863.5597 -1.5531 -1.6841 PRESSURE: 2068800 -98.8886 66.5472 6.71944 66.5471 -58.7735 146.97 6.71905 146.971 -146.342 GPRESSURE: 2068800 -91.4484 15.4527 -13.369 87.2098 -54.5983 104.919 -43.1951 163.369 -67.3542 PRESSAVG: 2068800 3.98485 -2.78161 -16.0797 -2.78166 14.6737 29.1615 -16.0796 29.1614 1.3423 GPRESSAVG: 2068800 3.50645 -2.24688 -16.8058 -4.0068 15.1023 29.0218 -13.7272 28.0066 1.03954 TIMING: 2068800 CPU: 6178.58, 0.00300447/step Wall: 6178.58, 0.00300447/step, 2.44631 hours remaining, 208.757812 MB of memory in use. ENERGY: 2068800 734.8546 2053.0685 1918.9196 105.9404 -205389.8635 17563.9067 0.0000 0.0000 34394.3212 -148618.8524 300.3742 -183013.1736 -148518.0708 300.4597 -101.3346 -71.1336 559955.6151 6.6670 6.5494 PRESSURE: 2069000 102.567 69.1193 25.1229 69.1205 -3.89621 -53.7899 25.122 -53.7906 55.4808 GPRESSURE: 2069000 178.377 64.8958 169.978 104.863 30.7126 -99.4244 -61.5808 36.5619 47.0896 PRESSAVG: 2069000 -63.2332 -4.89521 0.294514 -4.89519 79.9877 -39.9015 0.294447 -39.9015 -9.46031 GPRESSAVG: 2069000 -63.8827 -5.58863 0.290712 -5.36033 80.5064 -38.8836 0.771552 -36.8669 -9.29686 TIMING: 2069000 CPU: 6179.18, 0.00298258/step Wall: 6179.18, 0.00298258/step, 2.42832 hours remaining, 208.757812 MB of memory in use. ENERGY: 2069000 789.6329 2038.6891 1942.4185 117.8262 -205897.5683 17790.4115 0.0000 0.0000 34569.4536 -148649.1366 301.9036 -183218.5902 -148549.7726 300.2984 51.3839 85.3932 558459.1446 2.4314 2.4423 PRESSURE: 2069200 -97.6927 -64.6351 83.0063 -64.6348 11.5158 32.7955 83.0057 32.7959 -51.0912 GPRESSURE: 2069200 -36.6337 -82.1906 -16.2744 -54.0756 32.5508 -7.90531 152.267 -8.8246 -23.0927 PRESSAVG: 2069200 25.2657 -25.6203 39.0046 -25.6204 -49.9656 2.28749 39.0046 2.28758 32.6416 GPRESSAVG: 2069200 26.0594 -25.6676 38.5838 -24.8677 -50.444 2.36595 38.5997 0.159908 33.0656 TIMING: 2069200 CPU: 6179.78, 0.00300125/step Wall: 6179.78, 0.00300125/step, 2.44335 hours remaining, 208.757812 MB of memory in use. ENERGY: 2069200 747.7828 2103.8250 1958.5839 109.3116 -205666.3392 17533.5392 0.0000 0.0000 34324.9080 -148888.3887 299.7680 -183213.2967 -148798.8066 300.1424 -45.7560 -9.0585 559390.7406 2.6472 2.8937 PRESSURE: 2069400 89.2134 26.5394 -90.7363 26.5397 168.892 -146.68 -90.735 -146.681 114.153 GPRESSURE: 2069400 100.576 5.97531 -85.0212 51.2568 248.801 -183.597 -31.7699 -39.8516 117.878 PRESSAVG: 2069400 19.2148 -41.7959 -18.3647 -41.796 -6.64924 -38.7559 -18.3647 -38.7558 -12.9109 GPRESSAVG: 2069400 18.7285 -39.9681 -18.8988 -43.1618 -5.94219 -39.1879 -19.1244 -36.8426 -13.0626 TIMING: 2069400 CPU: 6180.37, 0.00298529/step Wall: 6180.37, 0.00298529/step, 2.43019 hours remaining, 208.757812 MB of memory in use. ENERGY: 2069400 738.8848 2070.8989 1963.4114 115.8058 -206470.3291 18241.7892 0.0000 0.0000 34351.7340 -148987.8051 300.0022 -183339.5390 -148894.1497 300.2854 124.0862 155.7517 558356.1672 -0.1151 -0.0921 PRESSURE: 2069600 -200.966 -77.8134 -7.84236 -77.813 -38.8913 -21.164 -7.8428 -21.1649 -149.714 GPRESSURE: 2069600 -189.855 -53.3964 -17.8587 -103.882 42.3395 -52.9826 28.3419 25.4422 -142.085 PRESSAVG: 2069600 24.1324 -4.55311 16.5947 -4.55308 -4.94785 -18.377 16.5947 -18.377 27.9801 GPRESSAVG: 2069600 23.5764 -5.17935 17.3565 -4.1069 -4.91749 -18.1253 16.9895 -19.8298 28.6273 TIMING: 2069600 CPU: 6180.97, 0.00296285/step Wall: 6180.97, 0.00296285/step, 2.41176 hours remaining, 208.757812 MB of memory in use. ENERGY: 2069600 744.4324 2040.2127 1945.9461 108.2067 -205886.5642 17673.6666 0.0000 0.0000 34309.3610 -149064.7385 299.6322 -183374.0996 -148971.5378 300.0359 -129.8570 -96.5335 558510.2242 15.7216 15.7621 PRESSURE: 2069800 84.6794 -42.7042 91.8716 -42.7049 171.219 -60.1007 91.8721 -60.1016 198.563 GPRESSURE: 2069800 155.376 -113.992 96.754 -11.2339 117.736 -162.225 162.034 26.3521 284.741 PRESSAVG: 2069800 -8.46842 3.63419 -4.36205 3.63427 -10.1794 -3.76875 -4.36215 -3.76881 -1.11841 GPRESSAVG: 2069800 -7.29527 3.04605 -4.66727 4.53684 -11.4975 -2.88922 -3.94561 -4.66748 -1.30876 TIMING: 2069800 CPU: 6181.57, 0.00300194/step Wall: 6181.57, 0.00300194/step, 2.44341 hours remaining, 208.757812 MB of memory in use. ENERGY: 2069800 726.7599 1983.0559 1932.4120 105.9874 -206068.4315 17847.4118 0.0000 0.0000 34349.8295 -149122.9750 299.9856 -183472.8046 -149023.2674 300.0983 151.4870 185.9511 556314.1987 -6.5887 -6.7005 PRESSURE: 2070000 -67.705 -191.503 31.5941 -191.503 93.0029 -104.47 31.5948 -104.469 -180.471 GPRESSURE: 2070000 0.570226 -235.552 36.5392 -217.143 84.1207 -53.6741 8.27494 -12.6478 -123.753 PRESSAVG: 2070000 -0.735793 53.1295 12.2018 53.1296 23.9809 20.5005 12.2019 20.5006 -5.3802 GPRESSAVG: 2070000 -2.80075 52.2664 12.9966 51.3834 25.6635 20.8559 10.2876 22.4763 -5.1013 TIMING: 2070000 CPU: 6182.16, 0.00298056/step Wall: 6182.16, 0.00298056/step, 2.42585 hours remaining, 208.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2070000 734.5632 2072.2464 1907.6176 119.4742 -205630.4871 17462.7026 0.0000 0.0000 34058.4050 -149275.4781 297.4405 -183333.8831 -149172.4553 300.0066 -51.7244 -13.0207 556326.4118 5.9550 5.9205 PRESSURE: 2070200 -200.939 -87.6825 -140.142 -87.6832 -235.803 -140.122 -140.143 -140.121 -96.2965 GPRESSURE: 2070200 -134.558 -46.3753 -215.479 -16.6053 -194.341 -72.6448 -153.816 -163.338 -98.4309 PRESSAVG: 2070200 30.2423 -1.90973 -45.4107 -1.90977 -40.8785 -77.9274 -45.4105 -77.9272 46.1436 GPRESSAVG: 2070200 32.6128 -4.77693 -45.1141 1.55901 -42.0172 -80.191 -45.2082 -78.9456 44.9171 TIMING: 2070200 CPU: 6182.76, 0.00297759/step Wall: 6182.76, 0.00297759/step, 2.42326 hours remaining, 208.757812 MB of memory in use. ENERGY: 2070200 735.3321 2076.0323 1930.8446 102.1006 -205802.9326 17455.4724 0.0000 0.0000 34243.2636 -149259.8871 299.0549 -183503.1507 -149162.0719 298.5750 -177.6795 -142.4435 556362.8818 11.8358 11.8376 PRESSURE: 2070400 -247.163 -22.4743 18.504 -22.4739 -185.147 -57.7164 18.504 -57.716 26.4253 GPRESSURE: 2070400 -199.319 -81.6838 -69.4818 61.4328 -145.292 -45.7863 1.79281 -45.5045 34.8878 PRESSAVG: 2070400 18.2375 -3.3402 -21.578 -3.34013 -43.4844 -22.9005 -21.578 -22.9005 4.99591 GPRESSAVG: 2070400 16.3421 -0.901269 -22.408 -4.1553 -42.3404 -21.7408 -22.6712 -23.2176 5.43604 TIMING: 2070400 CPU: 6183.36, 0.00299107/step Wall: 6183.36, 0.00299107/step, 2.43407 hours remaining, 208.828125 MB of memory in use. ENERGY: 2070400 751.4894 2069.5900 1926.0748 131.5097 -205800.0111 17534.0501 0.0000 0.0000 34349.4800 -149037.8172 299.9826 -183387.2972 -148939.6792 299.3386 -135.2951 -103.2412 557997.0537 -6.7503 -6.8541 PRESSURE: 2070600 100.648 226.304 4.13236 226.304 45.7722 -16.8166 4.13082 -16.8174 121.821 GPRESSURE: 2070600 156.966 269.447 -36.7086 248.431 110.302 -2.1223 -68.1121 -52.2108 122.697 PRESSAVG: 2070600 -5.26897 58.0337 27.9509 58.0336 6.12474 -63.3554 27.9509 -63.3551 -1.22993 GPRESSAVG: 2070600 -4.42068 56.7461 26.821 57.7326 5.28752 -63.0125 27.9066 -62.8187 -1.56364 TIMING: 2070600 CPU: 6183.96, 0.00299/step Wall: 6183.96, 0.00299/step, 2.43303 hours remaining, 208.828125 MB of memory in use. ENERGY: 2070600 732.5187 2088.7135 1922.3962 110.5957 -206162.5147 18037.9014 0.0000 0.0000 34229.9756 -149040.4135 298.9389 -183270.3892 -148937.9432 299.7087 89.4137 129.9886 558314.2745 -0.1247 -0.2323 PRESSURE: 2070800 -134.476 -13.3945 111.425 -13.3945 127.896 43.75 111.425 43.7485 -172.781 GPRESSURE: 2070800 -110.715 16.8848 65.5243 6.00076 170.259 34.6858 215.703 33.4542 -138.069 PRESSAVG: 2070800 1.40386 27.4898 -14.5001 27.4898 47.5524 24.2683 -14.5001 24.2683 1.72612 GPRESSAVG: 2070800 -0.11986 28.7985 -16.5635 27.5769 49.0448 23.4846 -13.0484 24.0471 1.60105 TIMING: 2070800 CPU: 6184.55, 0.00298486/step Wall: 6184.55, 0.00298486/step, 2.42868 hours remaining, 208.828125 MB of memory in use. ENERGY: 2070800 762.3827 2053.8662 1954.1723 119.4244 -205885.9000 17707.3262 0.0000 0.0000 34391.8542 -148896.8740 300.3526 -183288.7282 -148800.6095 299.7879 -59.7868 -26.1752 558735.1072 16.8941 16.8420 PRESSURE: 2071000 48.4052 113.293 -4.46065 113.292 26.1972 -29.0336 -4.46122 -29.0326 203.897 GPRESSURE: 2071000 113.766 68.005 -26.0741 98.5138 23.6665 -13.34 52.778 30.6213 232.246 PRESSAVG: 2071000 -10.565 44.4694 -14.5411 44.4693 -28.6109 6.1438 -14.5412 6.1438 48.1443 GPRESSAVG: 2071000 -9.75433 45.7176 -13.0413 42.1566 -29.5403 8.35923 -17.0189 4.33408 48.4544 TIMING: 2071000 CPU: 6185.16, 0.00301738/step Wall: 6185.16, 0.00301738/step, 2.45497 hours remaining, 208.828125 MB of memory in use. ENERGY: 2071000 782.6930 2083.7127 1946.3654 102.6588 -206282.8431 18084.1588 0.0000 0.0000 34380.3294 -148902.9250 300.2520 -183283.2545 -148802.9693 300.2560 92.8332 123.2261 558351.8169 2.9895 3.0532 PRESSURE: 2071200 44.8974 -27.3834 -51.8642 -27.3842 158.1 162.809 -51.8656 162.809 204.154 GPRESSURE: 2071200 50.4167 -50.3135 -106.076 13.2955 173.039 157.935 -44.8605 170.032 281.575 PRESSAVG: 2071200 18.7056 -2.62234 26.1334 -2.62235 -22.9283 -6.16549 26.1334 -6.16559 -2.26403 GPRESSAVG: 2071200 18.8696 -2.29798 25.4432 -1.70533 -23.8971 -7.53163 27.4876 -2.87753 -1.78401 TIMING: 2071200 CPU: 6185.76, 0.00299632/step Wall: 6185.76, 0.00299632/step, 2.43767 hours remaining, 208.828125 MB of memory in use. ENERGY: 2071200 797.6651 2101.8703 1933.0965 106.6118 -205964.7465 17894.5709 0.0000 0.0000 34234.6849 -148896.2470 298.9800 -183130.9318 -148801.5666 300.1397 135.7171 168.3436 558486.7611 -2.1622 -2.2705 PRESSURE: 2071400 -101.483 139.298 3.07334 139.298 29.771 50.0701 3.07444 50.0692 31.9579 GPRESSURE: 2071400 -62.3199 62.4185 13.8943 168.176 62.0208 23.9025 1.92263 33.2287 51.572 PRESSAVG: 2071400 -37.9537 -18.8728 33.3008 -18.8728 84.5296 -57.8521 33.3008 -57.8521 -26.7356 GPRESSAVG: 2071400 -38.7883 -18.5833 32.0779 -18.8165 86.8227 -58.6578 35.5473 -59.6098 -27.5008 TIMING: 2071400 CPU: 6186.35, 0.00299322/step Wall: 6186.35, 0.00299322/step, 2.43499 hours remaining, 208.828125 MB of memory in use. ENERGY: 2071400 749.3992 2064.2078 1948.5723 113.1126 -206038.6793 17768.0901 0.0000 0.0000 34219.6644 -149175.6330 298.8488 -183395.2974 -149084.2892 299.7529 -13.2514 17.0910 558194.5556 6.6135 6.8445 PRESSURE: 2071600 254.907 -101.268 -86.6157 -101.268 287.721 47.3606 -86.6161 47.3628 367.008 GPRESSURE: 2071600 305.765 -84.1161 -111.836 -154.681 300.612 76.0332 -122.187 38.6957 402.984 PRESSAVG: 2071600 0.101849 19.5393 10.3153 19.5392 -31.2182 -38.1467 10.3153 -38.1465 32.1216 GPRESSAVG: 2071600 0.169196 16.2975 11.4124 21.9187 -31.3919 -37.3092 9.08806 -37.0799 32.3933 TIMING: 2071600 CPU: 6186.96, 0.00300702/step Wall: 6186.96, 0.00300702/step, 2.44605 hours remaining, 208.828125 MB of memory in use. ENERGY: 2071600 719.4632 2072.7369 1945.0264 104.8509 -207074.3210 18451.6422 0.0000 0.0000 34567.1576 -149213.4439 301.8836 -183780.6015 -149115.6780 299.7906 303.2121 336.4535 557446.0843 0.3351 0.3902 PRESSURE: 2071800 -14.861 37.209 47.387 37.2086 43.3974 -10.1174 47.3877 -10.1168 -15.8343 GPRESSURE: 2071800 71.8245 -12.0958 68.3012 45.4766 50.9944 -43.4847 -5.806 25.5147 -15.6516 PRESSAVG: 2071800 -79.4271 -15.6834 -0.494449 -15.6833 21.9613 -12.3503 -0.494453 -12.3503 59.5722 GPRESSAVG: 2071800 -78.8614 -13.928 0.48957 -16.9147 21.5669 -11.2751 -2.38922 -14.8795 59.4904 TIMING: 2071800 CPU: 6187.56, 0.00301365/step Wall: 6187.56, 0.00301365/step, 2.45127 hours remaining, 208.828125 MB of memory in use. ENERGY: 2071800 770.7138 2063.7776 1939.8678 116.9662 -206511.9483 18048.6380 0.0000 0.0000 34390.1824 -149181.8024 300.3380 -183571.9848 -149085.2288 299.6393 4.2340 35.7224 557412.9649 0.7021 0.7320 PRESSURE: 2072000 -40.0676 -101.708 -77.4323 -101.71 -49.6969 -195.413 -77.4328 -195.412 121.538 GPRESSURE: 2072000 -19.3307 -87.5554 -129.099 -65.4475 -10.8172 -136.649 -44.8249 -198.592 149.292 PRESSAVG: 2072000 -11.0068 -42.9886 -22 -42.9886 -15.2288 -35.7334 -22.0002 -35.7334 13.0948 GPRESSAVG: 2072000 -9.86701 -44.0043 -24.301 -42.2214 -16.6567 -36.1128 -19.9221 -34.2363 13.6603 TIMING: 2072000 CPU: 6188.16, 0.00300252/step Wall: 6188.16, 0.00300252/step, 2.44205 hours remaining, 208.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2072000 733.3888 2065.6180 1942.4726 119.3724 -206221.8793 17815.3392 0.0000 0.0000 34318.8928 -149226.7956 299.7154 -183545.6884 -149127.2369 299.2622 10.5910 39.7147 556614.4570 -4.3802 -4.2878 PRESSURE: 2072200 -31.2247 -104.456 16.2949 -104.456 147.459 -78.7046 16.2951 -78.7051 -19.9713 GPRESSURE: 2072200 -20.2871 -74.5935 34.4681 -84.1319 143.346 -88.9999 38.916 -1.1948 64.7298 PRESSAVG: 2072200 -32.2466 -22.4242 -26.0579 -22.4242 0.80922 33.1363 -26.0578 33.1362 58.719 GPRESSAVG: 2072200 -33.0144 -19.6663 -25.4156 -24.1771 2.34375 30.6363 -26.3951 34.9661 58.1707 TIMING: 2072200 CPU: 6188.76, 0.00298875/step Wall: 6188.76, 0.00298875/step, 2.43068 hours remaining, 208.828125 MB of memory in use. ENERGY: 2072200 729.9486 2091.6434 1947.2970 119.0529 -206375.3214 17898.3836 0.0000 0.0000 34352.5909 -149236.4050 300.0097 -183588.9959 -149144.6459 300.0851 32.0878 62.5962 557511.4173 9.0939 9.1667 LDB: ============= START OF LOAD BALANCING ============== 6192.31 LDB: ============== END OF LOAD BALANCING =============== 6192.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6192.31 LDB: ============= START OF LOAD BALANCING ============== 6192.61 LDB: Largest compute 4773 load 0.029919 is 25.3% of average load 0.118152 LDB: Average compute 0.001729 is 1.5% of average load 0.118152 LDB: TIME 6192.61 LOAD: AVG 0.118152 MAX 0.207446 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.848 MB LDB: TIME 6192.61 LOAD: AVG 0.118152 MAX 0.207446 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.051 MB LDB: TIME 6192.61 LOAD: AVG 0.118152 MAX 0.207446 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.051 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6192.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6192.62 PRESSURE: 2072400 -253.13 65.895 -70.0682 65.8954 -120.326 264.05 -70.068 264.05 4.82496 GPRESSURE: 2072400 -143.915 145.479 -50.3954 -7.06585 -93.9361 227.236 -110.631 242.262 -28.558 PRESSAVG: 2072400 1.86209 -25.1034 -0.61353 -25.1034 0.669285 10.9356 -0.613438 10.9357 -3.40227 GPRESSAVG: 2072400 0.808797 -27.7925 0.524286 -22.2305 0.184018 14.894 -0.487547 8.299 -2.0717 TIMING: 2072400 CPU: 6189.37, 0.0030484/step Wall: 6189.37, 0.0030484/step, 2.47903 hours remaining, 207.332031 MB of memory in use. ENERGY: 2072400 781.6495 2119.7987 1942.2851 112.7188 -205973.5913 17673.7420 0.0000 0.0000 34242.7239 -149100.6733 299.0502 -183343.3973 -148997.2989 299.2491 -122.8771 -88.8032 557807.2966 -0.2903 -0.3596 PRESSURE: 2072600 -70.5676 -82.3812 -94.9465 -82.3812 -65.0339 123.895 -94.946 123.897 -65.6088 GPRESSURE: 2072600 -19.3328 -116.75 -80.2792 -113.965 -22.143 110.456 -32.2107 173.154 -50.3043 PRESSAVG: 2072600 -7.35659 -24.1901 -20.7166 -24.1902 -0.156681 74.8743 -20.7167 74.8744 -7.91925 GPRESSAVG: 2072600 -6.77084 -23.2234 -20.7258 -26.7164 0.053932 73.9862 -20.5765 74.2605 -7.91666 TIMING: 2072600 CPU: 6189.96, 0.0029827/step Wall: 6189.96, 0.0029827/step, 2.42543 hours remaining, 207.535156 MB of memory in use. ENERGY: 2072600 776.4393 2056.3084 1941.8932 123.7435 -206093.6620 17679.1527 0.0000 0.0000 34465.6156 -149050.5093 300.9968 -183516.1249 -148948.1281 299.9804 -67.0701 -30.5934 558144.6325 -5.1442 -4.8779 PRESSURE: 2072800 -166.331 44.5872 131.871 44.587 264.52 -159.118 131.871 -159.117 -79.786 GPRESSURE: 2072800 -107.711 6.61941 115.756 65.2809 320.384 -187.686 22.867 -100.698 -81.9791 PRESSAVG: 2072800 -20.9455 -5.64641 6.61678 -5.64647 11.7233 -6.95491 6.6168 -6.95484 -11.3162 GPRESSAVG: 2072800 -19.0713 -5.26714 5.00392 -5.48558 9.38165 -6.52549 5.71821 -5.67962 -10.4379 TIMING: 2072800 CPU: 6190.56, 0.00296491/step Wall: 6190.56, 0.00296491/step, 2.4108 hours remaining, 207.535156 MB of memory in use. ENERGY: 2072800 789.1603 2065.8307 1961.4993 118.6050 -206265.2236 17881.2569 0.0000 0.0000 34408.3835 -149040.4879 300.4970 -183448.8714 -148941.5087 300.3673 6.1342 43.5645 556505.1990 -6.8461 -6.7092 PRESSURE: 2073000 151.453 53.4374 8.27581 53.437 -55.4757 220.798 8.27687 220.798 376.012 GPRESSURE: 2073000 164.551 99.2627 33.1007 45.0141 8.63974 274.71 129.348 288.763 396.626 PRESSAVG: 2073000 15.3356 -22.262 20.2533 -22.262 -28.6339 8.89577 20.2532 8.8957 32.4574 GPRESSAVG: 2073000 14.2503 -27.1413 20.4884 -19.5295 -26.4983 6.46435 22.1254 8.07171 31.3625 TIMING: 2073000 CPU: 6191.15, 0.00295373/step Wall: 6191.15, 0.00295373/step, 2.40155 hours remaining, 207.535156 MB of memory in use. ENERGY: 2073000 734.6191 2065.6672 1932.9695 116.0017 -206512.9883 18092.2106 0.0000 0.0000 34547.5883 -149023.9319 301.7127 -183571.5201 -148926.4405 300.5830 157.3299 189.9387 555976.1244 6.3863 6.3715 PRESSURE: 2073200 -46.1291 102.739 140.077 102.74 -102.742 53.5165 140.076 53.5179 -36.5049 GPRESSURE: 2073200 -9.93479 71.1686 -25.8454 111.143 -64.961 125.303 241.775 7.58478 -16.8312 PRESSAVG: 2073200 67.404 -25.4795 71.6203 -25.4795 -53.6443 0.61497 71.6204 0.615098 11.14 GPRESSAVG: 2073200 68.0585 -20.4067 74.4056 -26.2775 -53.5213 1.97953 68.6728 0.246422 10.7616 TIMING: 2073200 CPU: 6191.74, 0.00297057/step Wall: 6191.74, 0.00297057/step, 2.41508 hours remaining, 207.535156 MB of memory in use. ENERGY: 2073200 768.8933 2042.6784 1954.3719 103.9509 -206234.8265 17890.3141 0.0000 0.0000 34508.9302 -148965.6877 301.3751 -183474.6178 -148869.4599 300.2453 -61.7921 -30.5757 557083.0877 8.2999 8.4329 PRESSURE: 2073400 118.065 32.1264 19.929 32.1262 188.729 -64.4879 19.9281 -64.4884 326.773 GPRESSURE: 2073400 185.288 -14.2395 89.3949 -65.0108 191.188 3.04073 -61.5227 -101.108 343.564 PRESSAVG: 2073400 -67.1335 -12.7689 9.80271 -12.7689 51.1537 44.412 9.80269 44.4119 27.9426 GPRESSAVG: 2073400 -66.4038 -15.6687 8.54221 -14.2322 51.3143 42.8255 10.2475 45.0117 26.3155 TIMING: 2073400 CPU: 6192.34, 0.00300553/step Wall: 6192.34, 0.00300553/step, 2.44333 hours remaining, 207.535156 MB of memory in use. ENERGY: 2073400 737.0419 2079.3309 1967.6380 116.6631 -206388.2412 18055.1124 0.0000 0.0000 34395.4835 -149036.9714 300.3843 -183432.4549 -148945.5172 300.2608 211.1889 240.0134 554953.0620 3.9876 3.7420 PRESSURE: 2073600 -224.286 229.066 -8.18794 229.066 16.8559 -106.078 -8.18668 -106.079 73.7133 GPRESSURE: 2073600 -227.787 262.645 35.8704 232.834 56.4052 -93.0293 -66.2843 -186.008 135.388 PRESSAVG: 2073600 -50.6068 32.2572 -27.3927 32.2572 21.5143 -46.3772 -27.3927 -46.3771 27.8539 GPRESSAVG: 2073600 -51.1503 33.7808 -28.6712 31.3058 21.1674 -43.5076 -26.2839 -48.3589 28.2956 TIMING: 2073600 CPU: 6192.95, 0.00302388/step Wall: 6192.95, 0.00302388/step, 2.45807 hours remaining, 207.535156 MB of memory in use. ENERGY: 2073600 726.0795 2137.6002 1929.3623 115.3888 -205855.7563 17570.6830 0.0000 0.0000 34394.2962 -148982.3464 300.3739 -183376.6426 -148876.7980 299.9008 -44.5724 -11.9979 557123.4109 -0.4128 -0.5624 PRESSURE: 2073800 -110.503 53.9425 -4.05402 53.9427 -24.8525 98.8739 -4.05319 98.8741 318.14 GPRESSURE: 2073800 -37.9332 72.9643 40.8121 100.253 16.6255 135.566 -1.3104 114.657 315.29 PRESSAVG: 2073800 -111.821 -17.5429 -15.2717 -17.5431 -3.97086 -33.1905 -15.2717 -33.1906 134.809 GPRESSAVG: 2073800 -112.896 -17.8574 -13.4857 -17.1131 -4.41209 -36.1348 -15.4192 -29.1954 136.379 TIMING: 2073800 CPU: 6193.55, 0.00300899/step Wall: 6193.55, 0.00300899/step, 2.44581 hours remaining, 207.535156 MB of memory in use. ENERGY: 2073800 726.7814 2079.6985 1956.7905 121.2027 -206091.1550 17786.2640 0.0000 0.0000 34501.2142 -148919.2038 301.3077 -183420.4180 -148826.6275 300.5191 60.9280 97.9939 556228.4185 6.3391 6.3568 PRESSURE: 2074000 -214.883 -22.4156 -107.549 -22.4156 -136.557 -161.244 -107.55 -161.245 -166.014 GPRESSURE: 2074000 -185.996 39.7163 -105.927 -25.0349 -119.29 -73.1936 -63.081 -166.738 -117.42 PRESSAVG: 2074000 -73.8858 14.8885 37.4772 14.8887 -15.8513 -2.31416 37.4772 -2.31413 124.715 GPRESSAVG: 2074000 -73.734 13.6491 36.9298 15.8632 -15.5445 -0.677491 38.3252 -4.39619 124.155 TIMING: 2074000 CPU: 6194.15, 0.00301513/step Wall: 6194.15, 0.00301513/step, 2.45063 hours remaining, 207.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2074000 756.5809 2090.1237 1929.2653 121.5797 -205879.3450 17617.2749 0.0000 0.0000 34477.8478 -148886.6728 301.1036 -183364.5206 -148784.1262 300.4889 -172.4848 -140.9020 560531.5187 11.6594 11.6254 PRESSURE: 2074200 -23.6975 246.591 29.2157 246.591 100.286 41.5943 29.2152 41.5959 14.893 GPRESSURE: 2074200 -64.3181 192.795 31.5859 194.367 171.387 3.38956 33.9602 87.1764 72.9062 PRESSAVG: 2074200 -41.1577 38.8049 -25.9555 38.805 12.1467 -17.4333 -25.9554 -17.4332 -4.97858 GPRESSAVG: 2074200 -41.8446 40.397 -26.5622 37.025 11.8386 -17.3679 -27.7293 -18.9445 -3.65865 TIMING: 2074200 CPU: 6194.75, 0.00298252/step Wall: 6194.75, 0.00298252/step, 2.42396 hours remaining, 207.535156 MB of memory in use. ENERGY: 2074200 794.7399 2070.6160 1938.9013 129.8226 -206056.8579 17743.6727 0.0000 0.0000 34484.8879 -148894.2176 301.1651 -183379.1054 -148796.6904 299.8791 30.4938 59.9917 558638.5480 -11.3299 -11.2216 PRESSURE: 2074400 99.7613 89.1004 197.697 89.1014 50.2293 13.747 197.697 13.7479 117.311 GPRESSURE: 2074400 166.866 157.295 180.208 47.9586 63.6986 -10.6591 158.195 40.5123 146.992 PRESSAVG: 2074400 13.9934 7.69059 -10.6689 7.69053 -27.2209 -19.695 -10.6689 -19.6949 17.4479 GPRESSAVG: 2074400 14.8841 8.73764 -11.5259 7.05545 -27.1886 -18.755 -9.42478 -19.8323 17.1904 TIMING: 2074400 CPU: 6195.35, 0.00300247/step Wall: 6195.35, 0.00300247/step, 2.44001 hours remaining, 207.535156 MB of memory in use. ENERGY: 2074400 765.9422 2061.5538 1938.9233 111.3647 -206236.8422 17927.8888 0.0000 0.0000 34374.7597 -149056.4098 300.2033 -183431.1695 -148957.5489 300.8427 89.1004 125.8524 556662.9015 1.4068 1.6286 PRESSURE: 2074600 -373.041 -27.9622 -68.3165 -27.9621 -110.046 -47.8108 -68.3177 -47.8113 -0.586584 GPRESSURE: 2074600 -312.316 33.4587 -33.2821 -65.5201 -84.2355 35.2888 -53.2595 -117.83 9.58283 PRESSAVG: 2074600 -59.1262 30.5374 -11.0759 30.5373 67.1861 -2.18347 -11.076 -2.18345 19.383 GPRESSAVG: 2074600 -59.4586 29.7329 -10.509 31.86 67.9293 -2.55943 -12.0404 -2.31827 18.7685 TIMING: 2074600 CPU: 6195.95, 0.00301129/step Wall: 6195.95, 0.00301129/step, 2.447 hours remaining, 207.535156 MB of memory in use. ENERGY: 2074600 748.8625 2147.1315 1925.3068 109.4415 -205740.4807 17478.0588 0.0000 0.0000 34356.9767 -148974.7028 300.0480 -183331.6795 -148878.8276 299.5915 -161.2246 -128.9894 556390.1355 9.1476 9.0797 PRESSURE: 2074800 -266.078 125.294 -56.6929 125.293 164.249 -57.2732 -56.6922 -57.2731 15.701 GPRESSURE: 2074800 -299.77 113.535 -15.0601 198.782 258.469 -67.8356 -33.6614 -34.4364 39.374 PRESSAVG: 2074800 -49.8126 81.2367 23.4495 81.2367 36.9167 -64.2247 23.4495 -64.2247 -3.30886 GPRESSAVG: 2074800 -49.2033 81.1601 24.3359 81.2538 37.5264 -65.4996 23.4849 -63.44 -4.59076 TIMING: 2074800 CPU: 6196.55, 0.00299295/step Wall: 6196.55, 0.00299295/step, 2.43194 hours remaining, 207.535156 MB of memory in use. ENERGY: 2074800 721.5650 2114.3132 1930.2933 104.6053 -206104.0289 17755.6314 0.0000 0.0000 34417.8065 -149059.8142 300.5793 -183477.6207 -148968.1228 299.8408 -28.7094 -0.6421 557668.4867 -5.4016 -5.4226 PRESSURE: 2075000 -21.3661 14.3131 45.1482 14.3119 10.9542 101.627 45.1492 101.628 12.1337 GPRESSURE: 2075000 80.3751 -27.488 55.3946 123.386 -20.3217 155.17 19.7007 49.1493 34.2898 PRESSAVG: 2075000 -41.4418 54.0569 -7.30938 54.0568 56.1964 2.1099 -7.30937 2.11001 13.6507 GPRESSAVG: 2075000 -41.7848 54.3913 -9.4964 54.3703 55.1973 0.271736 -6.86209 4.31359 15.1879 TIMING: 2075000 CPU: 6197.15, 0.00300382/step Wall: 6197.15, 0.00300382/step, 2.44061 hours remaining, 207.535156 MB of memory in use. ENERGY: 2075000 733.3974 2064.6926 1944.8395 104.3184 -206147.7683 17688.3299 0.0000 0.0000 34398.8051 -149213.3854 300.4133 -183612.1906 -149117.3010 299.5929 0.5739 31.4477 555607.1021 9.4684 9.5335 PRESSURE: 2075200 254.922 93.3128 -82.0348 93.311 -143.002 119.525 -82.036 119.524 136.803 GPRESSURE: 2075200 262.842 107.486 -47.6361 12.5078 -67.5444 77.5539 -156.763 103.889 159.129 PRESSAVG: 2075200 14.3544 56.8338 -11.1777 56.8338 11.8852 7.58507 -11.1778 7.58506 1.24392 GPRESSAVG: 2075200 14.5274 57.8773 -10.7444 56.491 10.8627 12.4544 -11.1123 3.51365 1.68952 TIMING: 2075200 CPU: 6197.75, 0.00299125/step Wall: 6197.75, 0.00299125/step, 2.43022 hours remaining, 207.535156 MB of memory in use. ENERGY: 2075200 736.4834 2065.2624 1947.3376 115.5126 -206222.1926 17802.0656 0.0000 0.0000 34139.1724 -149416.3585 298.1459 -183555.5309 -149324.0085 299.3205 82.9076 118.1421 556770.4083 9.1612 9.0265 PRESSURE: 2075400 -64.8472 -131.137 -157.829 -131.136 -83.3808 16.699 -157.83 16.6987 159.034 GPRESSURE: 2075400 -49.3682 -158.329 -49.8719 -45.0096 -125.618 57.3721 -149.84 -0.055773 274.037 PRESSAVG: 2075400 56.5806 75.3322 -34.9195 75.3322 -27.7852 -39.5615 -34.9194 -39.5615 18.962 GPRESSAVG: 2075400 56.1883 73.8928 -34.885 78.1721 -28.0043 -42.4896 -34.9137 -37.6591 19.4332 TIMING: 2075400 CPU: 6198.34, 0.00298287/step Wall: 6198.34, 0.00298287/step, 2.42325 hours remaining, 207.535156 MB of memory in use. ENERGY: 2075400 739.8695 2013.9129 1898.7596 108.5642 -206180.2928 17633.1179 0.0000 0.0000 34183.4765 -149602.5921 298.5328 -183786.0686 -149500.8529 298.4210 3.6019 33.0170 556334.5109 15.9191 15.8724 PRESSURE: 2075600 -265.231 -65.7748 96.7543 -65.775 -147.211 -11.2418 96.754 -11.2425 60.1588 GPRESSURE: 2075600 -209.623 -94.0798 140.653 -67.9772 -110.414 -52.6765 13.2343 41.272 72.5965 PRESSAVG: 2075600 10.2833 -43.9867 7.87391 -43.9868 -48.3015 2.28474 7.874 2.28482 25.937 GPRESSAVG: 2075600 11.1885 -42.2961 6.86316 -44.6232 -48.8455 4.04036 7.53264 -0.275815 25.1879 TIMING: 2075600 CPU: 6198.94, 0.00298134/step Wall: 6198.94, 0.00298134/step, 2.42184 hours remaining, 207.535156 MB of memory in use. ENERGY: 2075600 790.9648 2057.9301 1947.0810 113.1138 -206638.5944 18038.8188 0.0000 0.0000 34418.4610 -149272.2249 300.5850 -183690.6859 -149176.5426 298.8014 -117.4276 -82.4801 558598.3583 -4.0271 -4.1564 PRESSURE: 2075800 -174.041 27.8777 220.727 27.8777 -237.676 -98.1565 220.727 -98.156 -184.285 GPRESSURE: 2075800 -157.976 75.8676 228.295 -27.1136 -130.719 -85.2022 218.062 -32.6442 -202.187 PRESSAVG: 2075800 -48.8714 -54.6135 -6.61707 -54.6134 46.5889 -48.6774 -6.61705 -48.6774 26.0315 GPRESSAVG: 2075800 -49.8795 -56.5177 -6.36265 -56.8678 47.7301 -50.1639 -5.2889 -46.5758 26.3124 TIMING: 2075800 CPU: 6199.54, 0.00299183/step Wall: 6199.54, 0.00299183/step, 2.4302 hours remaining, 207.535156 MB of memory in use. ENERGY: 2075800 724.2988 2017.1101 1943.5800 111.0221 -206164.6020 17559.6827 0.0000 0.0000 34441.7574 -149367.1509 300.7884 -183808.9084 -149262.7808 299.0229 -198.6671 -163.6273 559282.5357 7.9163 8.0543 PRESSURE: 2076000 -111.279 100.111 -144.745 100.11 -250.155 24.9117 -144.744 24.9118 -294.625 GPRESSURE: 2076000 -91.4296 144.718 -161.413 75.3072 -201.616 35.0889 -91.0848 91.1963 -265.078 PRESSAVG: 2076000 -40.5358 3.3399 3.04732 3.33984 -10.5423 -56.8454 3.04736 -56.8454 -7.83975 GPRESSAVG: 2076000 -40.8366 1.92706 3.34808 4.06177 -10.0713 -56.964 2.93032 -54.909 -8.42005 TIMING: 2076000 CPU: 6200.13, 0.00297358/step Wall: 6200.13, 0.00297358/step, 2.41521 hours remaining, 207.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2076000 742.4084 2042.3245 1939.0855 111.7312 -205783.4423 17435.7733 0.0000 0.0000 34093.3765 -149418.7430 297.7459 -183512.1195 -149321.0722 298.6294 -218.6862 -186.0412 558313.3689 -19.6393 -19.7760 PRESSURE: 2076200 -48.5549 56.019 -118.199 56.0195 34.0901 -49.014 -118.198 -49.0141 -5.62707 GPRESSURE: 2076200 -47.4643 30.8733 -167.271 80.2268 37.7327 -77.2603 -141.166 -41.6844 87.0582 PRESSAVG: 2076200 -17.3144 35.8248 5.00017 35.8249 23.0214 5.71821 5.0002 5.71818 -9.67935 GPRESSAVG: 2076200 -17.3752 35.1972 5.11225 37.6027 22.6165 6.44652 4.2162 4.69583 -8.73292 TIMING: 2076200 CPU: 6200.73, 0.00298987/step Wall: 6200.73, 0.00298987/step, 2.42827 hours remaining, 207.535156 MB of memory in use. ENERGY: 2076200 745.2293 2080.2092 1918.7215 110.8771 -206502.7300 17892.9266 0.0000 0.0000 34397.9210 -149356.8453 300.4056 -183754.7663 -149269.9803 299.3156 -6.6973 25.7755 556609.1838 -1.3241 -1.1639 LDB: ============= START OF LOAD BALANCING ============== 6204.28 LDB: ============== END OF LOAD BALANCING =============== 6204.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6204.28 LDB: ============= START OF LOAD BALANCING ============== 6204.58 LDB: Largest compute 4773 load 0.028436 is 24.1% of average load 0.118148 LDB: Average compute 0.001730 is 1.5% of average load 0.118148 LDB: TIME 6204.58 LOAD: AVG 0.118148 MAX 0.208233 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.762 MB LDB: TIME 6204.58 LOAD: AVG 0.118148 MAX 0.208233 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.762 MB LDB: TIME 6204.58 LOAD: AVG 0.118148 MAX 0.208233 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6204.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6204.59 PRESSURE: 2076400 40.0563 -169.928 -5.81085 -169.927 7.8047 -110.243 -5.81119 -110.242 -299 GPRESSURE: 2076400 35.4598 -201.96 72.5425 -187.302 65.2201 -152.17 -95.6314 -146.287 -262.903 PRESSAVG: 2076400 -8.22951 3.08348 12.6474 3.08349 51.4513 -56.3587 12.6475 -56.3587 -71.4256 GPRESSAVG: 2076400 -7.94573 5.57812 13.0533 2.48327 50.7787 -58.4558 12.1519 -56.7594 -71.3207 TIMING: 2076400 CPU: 6201.34, 0.00303358/step Wall: 6201.34, 0.00303359/step, 2.46361 hours remaining, 206.441406 MB of memory in use. ENERGY: 2076400 748.8539 1985.2358 1922.7319 118.1901 -206229.8458 17823.9581 0.0000 0.0000 34035.6639 -149595.2122 297.2419 -183630.8761 -149499.6485 298.7854 -83.7129 -54.0743 556455.7560 -9.4012 -9.4959 PRESSURE: 2076600 127.24 92.2949 -211.336 92.296 349.043 134.498 -211.335 134.498 83.7791 GPRESSURE: 2076600 137.202 66.1603 -211.194 70.4586 402.875 113.519 -45.8932 95.0335 120.333 PRESSAVG: 2076600 35.7844 -14.5709 -48.3066 -14.571 -3.35861 -1.14665 -48.3066 -1.14651 -20.8194 GPRESSAVG: 2076600 35.3529 -13.7052 -46.5916 -15.7509 -0.896515 1.00084 -48.6392 -0.9466 -22.9416 TIMING: 2076600 CPU: 6201.94, 0.0029825/step Wall: 6201.94, 0.0029825/step, 2.42195 hours remaining, 206.441406 MB of memory in use. ENERGY: 2076600 737.7801 2075.3396 1936.4936 100.4075 -206882.0268 18135.1443 0.0000 0.0000 34397.7605 -149499.1011 300.4042 -183896.8616 -149401.9954 298.4213 186.6874 220.1366 555970.8715 3.8688 3.8383 PRESSURE: 2076800 95.0542 63.3989 97.5256 63.3987 148.866 -15.1503 97.5277 -15.1526 -67.0915 GPRESSURE: 2076800 153.36 48.1666 73.593 91.7579 125.051 -7.06934 87.3701 -28.9154 -4.34039 PRESSAVG: 2076800 65.173 11.1708 8.60154 11.1708 -40.4178 27.8459 8.60153 27.8461 -42.8513 GPRESSAVG: 2076800 63.9785 11.8963 7.50135 10.2817 -41.729 27.0604 8.72905 27.4533 -39.9144 TIMING: 2076800 CPU: 6202.54, 0.00301078/step Wall: 6202.54, 0.00301078/step, 2.44475 hours remaining, 206.441406 MB of memory in use. ENERGY: 2076800 773.4593 2074.9131 1930.8726 107.2807 -206408.5889 17890.5394 0.0000 0.0000 34062.7407 -149568.7832 297.4784 -183631.5239 -149472.4552 298.7405 58.9430 91.3567 556659.3744 -6.0320 -5.8883 PRESSURE: 2077000 110.287 82.0547 140.855 82.0546 10.5932 -61.8564 140.853 -61.8568 206.923 GPRESSURE: 2077000 138.269 33.166 164.204 152.392 53.9024 -52.3536 22.6531 -108.777 234.871 PRESSAVG: 2077000 46.1845 -27.8044 17.2551 -27.8045 -25.4679 80.324 17.2552 80.324 -59.3279 GPRESSAVG: 2077000 46.2436 -29.4089 17.9157 -27.7372 -24.3673 80.1023 18.5679 81.7988 -60.4506 TIMING: 2077000 CPU: 6203.14, 0.00298965/step Wall: 6203.14, 0.00298965/step, 2.42743 hours remaining, 206.441406 MB of memory in use. ENERGY: 2077000 703.0057 2041.0150 1907.0611 112.9633 -206754.2011 18000.7003 0.0000 0.0000 34356.7404 -149632.7152 300.0460 -183989.4556 -149536.8767 298.0340 109.2677 142.3473 556146.2220 -12.8704 -12.8581 PRESSURE: 2077200 -37.5184 36.7066 -69.6234 36.7069 0.417148 -53.8493 -69.6224 -53.8493 -54.9509 GPRESSURE: 2077200 -10.9154 3.48711 -78.4955 38.9163 -31.6743 -28.739 -96.6163 47.3788 55.4506 PRESSAVG: 2077200 -0.362874 1.77921 -9.93226 1.77926 31.8956 -11.1963 -9.93223 -11.1963 -45.5556 GPRESSAVG: 2077200 1.06076 0.880076 -10.6874 2.89941 30.2262 -10.251 -10.0002 -11.0731 -45.2118 TIMING: 2077200 CPU: 6203.73, 0.00299068/step Wall: 6203.73, 0.00299068/step, 2.4281 hours remaining, 206.441406 MB of memory in use. ENERGY: 2077200 733.3382 2023.2675 1913.6013 108.5952 -206247.9479 17876.0265 0.0000 0.0000 34164.1218 -149428.9974 298.3638 -183593.1193 -149337.4862 298.2567 -30.6840 4.2870 558744.6339 -4.6743 -4.6416 PRESSURE: 2077400 -88.479 -232.099 106.904 -232.099 -94.6885 55.0367 106.904 55.0347 144.798 GPRESSURE: 2077400 -31.366 -255.272 52.5082 -220.115 -105.342 136.676 107.948 73.9952 168.709 PRESSAVG: 2077400 27.6789 -29.1993 23.055 -29.1992 -60.5392 55.6166 23.055 55.6165 54.4791 GPRESSAVG: 2077400 27.9656 -27.7657 23.9579 -29.0734 -59.886 57.0115 21.9519 54.5566 53.0529 TIMING: 2077400 CPU: 6204.33, 0.002987/step Wall: 6204.33, 0.002987/step, 2.42495 hours remaining, 206.441406 MB of memory in use. ENERGY: 2077400 781.8187 2025.4843 1888.7971 103.2896 -206293.7980 17914.4629 0.0000 0.0000 34261.0961 -149318.8492 299.2107 -183579.9453 -149227.7251 298.7122 -12.7897 10.6670 560202.4109 7.2063 7.0442 PRESSURE: 2077600 123.369 24.4674 87.6133 24.4672 -87.3029 123.288 87.6139 123.289 169.834 GPRESSURE: 2077600 239.867 24.9888 76.8089 8.82545 -54.1344 1.53388 104.798 136.205 122.28 PRESSAVG: 2077600 5.58513 -32.9856 13.3119 -32.9856 -2.53639 -35.2121 13.3119 -35.2121 -46.0711 GPRESSAVG: 2077600 5.44211 -32.1689 12.1627 -33.523 -2.7131 -35.2188 13.2108 -35.5818 -45.7056 TIMING: 2077600 CPU: 6204.93, 0.00297956/step Wall: 6204.93, 0.00297956/step, 2.41874 hours remaining, 206.500000 MB of memory in use. ENERGY: 2077600 746.1993 2052.4458 1937.1224 100.9065 -206217.5390 17780.2712 0.0000 0.0000 34239.0426 -149361.5511 299.0181 -183600.5937 -149267.7671 299.1067 68.6334 102.6710 558800.6958 -14.3408 -14.3255 PRESSURE: 2077800 229.104 4.18831 -36.6728 4.18866 -39.7909 -62.8537 -36.673 -62.8536 59.0369 GPRESSURE: 2077800 174.712 51.2405 -42.3941 1.50257 21.6285 -42.833 -75.5039 -26.2002 159.013 PRESSAVG: 2077800 -47.5974 -12.6958 38.4534 -12.6957 40.05 -4.82666 38.4534 -4.82655 2.87361 GPRESSAVG: 2077800 -49.8119 -12.5187 39.4 -12.158 41.6669 -4.95862 36.6246 -5.88651 2.86806 TIMING: 2077800 CPU: 6205.52, 0.00298018/step Wall: 6205.52, 0.00298018/step, 2.41908 hours remaining, 206.500000 MB of memory in use. ENERGY: 2077800 777.3939 2024.7231 1920.6002 104.9508 -206345.4687 17900.2294 0.0000 0.0000 34331.6179 -149285.9534 299.8266 -183617.5713 -149192.3598 299.0700 82.7835 118.4514 557031.0928 -1.5579 -1.7590 PRESSURE: 2078000 -126.388 49.4394 26.602 49.4422 247.44 87.4163 26.6015 87.4163 -228.575 GPRESSURE: 2078000 -110.629 102.674 -31.4269 5.62901 324.015 41.1102 54.0742 126.721 -220.188 PRESSAVG: 2078000 16.6123 22.7498 -32.3005 22.7499 -24.1367 12.3231 -32.3004 12.323 -27.9114 GPRESSAVG: 2078000 17.9572 22.4698 -31.2336 21.956 -24.6741 12.9605 -30.5302 13.3152 -28.3831 TIMING: 2078000 CPU: 6206.12, 0.00297691/step Wall: 6206.12, 0.00297691/step, 2.41626 hours remaining, 206.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2078000 736.3849 2090.9614 1888.5176 117.5011 -206363.5764 18003.4034 0.0000 0.0000 34067.6518 -149459.1561 297.5213 -183526.8080 -149361.6551 299.2000 -35.8412 -2.2674 558516.1624 -11.8119 -11.7000 PRESSURE: 2078200 -222.866 -12.8704 -31.2943 -12.8706 -204.479 -28.1279 -31.2945 -28.1293 -205.455 GPRESSURE: 2078200 -227.329 -55.3414 -49.6458 22.2558 -120.822 50.1626 -19.7124 -66.0515 -178.887 PRESSAVG: 2078200 36.5862 -50.3137 -0.434271 -50.3137 5.51912 -24.1782 -0.434258 -24.1781 -56.5347 GPRESSAVG: 2078200 36.5014 -51.6006 -2.56048 -49.9238 4.11288 -25.1722 0.957392 -23.1533 -54.6238 TIMING: 2078200 CPU: 6206.71, 0.00297295/step Wall: 6206.71, 0.00297295/step, 2.41288 hours remaining, 206.500000 MB of memory in use. ENERGY: 2078200 794.5374 2005.0348 1916.7262 102.9548 -206186.4587 17681.3750 0.0000 0.0000 34216.1813 -149469.6491 298.8184 -183685.8304 -149378.1039 298.8858 -210.9332 -175.6792 559551.0722 -4.8098 -4.6698 PRESSURE: 2078400 -75.1553 -33.7566 138.658 -33.7573 -166.421 85.6363 138.657 85.6371 -48.5727 GPRESSURE: 2078400 -5.74157 -22.3803 107.842 -160.793 -168.091 110.693 158.479 64.6052 -22.8519 PRESSAVG: 2078400 -33.0813 32.9474 58.8968 32.9473 -24.6004 45.2361 58.8968 45.2359 -3.69678 GPRESSAVG: 2078400 -31.7362 32.5805 58.7061 33.1786 -24.59 43.5077 57.8715 44.376 -5.9998 TIMING: 2078400 CPU: 6207.31, 0.00297606/step Wall: 6207.31, 0.00297606/step, 2.41524 hours remaining, 206.500000 MB of memory in use. ENERGY: 2078400 723.9653 2062.0500 1890.8665 114.5667 -205811.3124 17725.9020 0.0000 0.0000 33893.0985 -149400.8634 295.9969 -183293.9619 -149307.0042 298.2753 -96.7164 -65.5616 559801.3317 -20.4595 -20.7753 PRESSURE: 2078600 138.291 -82.4068 -138.235 -82.4053 175.941 9.95231 -138.236 9.95217 42.2615 GPRESSURE: 2078600 146.429 -111.314 -77.4612 -107.393 139.045 -9.54668 -175.136 49.3376 160.997 PRESSAVG: 2078600 13.0728 -0.822577 -26.2197 -0.82245 -13.8624 -4.51465 -26.2198 -4.51462 25.6745 GPRESSAVG: 2078600 11.6805 0.715926 -24.048 -1.2619 -13.629 -2.69294 -27.5715 -4.98336 26.4748 TIMING: 2078600 CPU: 6207.9, 0.00295615/step Wall: 6207.9, 0.00295615/step, 2.39891 hours remaining, 206.500000 MB of memory in use. ENERGY: 2078600 759.4269 2021.7513 1889.6503 107.0242 -206501.2906 18059.0444 0.0000 0.0000 34163.3899 -149501.0036 298.3574 -183664.3935 -149394.0163 298.3755 118.8311 148.8237 557506.5129 8.2950 8.1754 PRESSURE: 2078800 74.8192 8.23694 -106.321 8.23837 59.1672 -10.0756 -106.319 -10.0753 80.8954 GPRESSURE: 2078800 81.198 -56.9355 -89.2729 29.0378 76.8338 -38.4745 -69.5427 58.1677 166.998 PRESSAVG: 2078800 20.2474 17.5507 -12.9086 17.5507 -29.6892 28.8656 -12.9085 28.8655 -28.525 GPRESSAVG: 2078800 20.7964 16.6339 -13.3755 17.6996 -29.253 28.7401 -11.9668 29.9065 -29.5228 TIMING: 2078800 CPU: 6208.5, 0.00299407/step Wall: 6208.5, 0.00299407/step, 2.42952 hours remaining, 206.500000 MB of memory in use. ENERGY: 2078800 692.3458 2034.9898 1914.8258 112.4073 -206139.0771 17730.4732 0.0000 0.0000 34021.2500 -149632.7851 297.1160 -183654.0352 -149535.2840 297.7883 71.6273 108.3432 557258.5889 -12.6556 -12.6598 PRESSURE: 2079000 -154.05 178.468 -18.6829 178.467 -87.6194 -2.77372 -18.6821 -2.77255 -65.5868 GPRESSURE: 2079000 -178.807 144.254 -50.7734 217.359 -31.0123 -21.0082 -9.94625 36.8141 -11.1189 PRESSAVG: 2079000 3.54868 25.3887 19.6348 25.3886 -4.52931 19.742 19.635 19.742 -5.97188 GPRESSAVG: 2079000 3.1761 27.3359 19.2724 24.0799 -4.9869 19.3533 19.4664 19.4706 -4.97624 TIMING: 2079000 CPU: 6209.1, 0.00300158/step Wall: 6209.1, 0.00300158/step, 2.43545 hours remaining, 206.500000 MB of memory in use. ENERGY: 2079000 749.3017 2034.8622 1939.3848 120.5628 -206088.7999 17713.1313 0.0000 0.0000 34140.9850 -149390.5722 298.1617 -183531.5572 -149291.1117 298.5666 -102.4188 -73.6462 558394.8051 -2.3175 -2.2623 PRESSURE: 2079200 -98.1593 -32.6961 41.7662 -32.6957 -154.771 -16.9625 41.7669 -16.9607 100.284 GPRESSURE: 2079200 -84.4037 -52.0356 21.2096 45.235 -105.669 -3.36306 8.85154 18.4706 130.451 PRESSAVG: 2079200 -1.63671 -80.759 -7.71299 -80.759 -44.1554 24.234 -7.71311 24.2341 40.5092 GPRESSAVG: 2079200 -1.66295 -82.2031 -5.63123 -79.0791 -43.8737 24.5209 -9.36581 23.7834 39.9883 TIMING: 2079200 CPU: 6209.7, 0.00300813/step Wall: 6209.7, 0.00300813/step, 2.44059 hours remaining, 206.500000 MB of memory in use. ENERGY: 2079200 716.2128 2032.3444 1941.0168 115.8377 -206088.4127 17642.8449 0.0000 0.0000 34096.2743 -149543.8818 297.7712 -183640.1561 -149445.9643 298.4622 -50.8820 -19.8739 557684.6281 -1.7610 -1.8495 PRESSURE: 2079400 -73.6836 8.60013 21.2981 8.6007 -75.2139 -9.21956 21.2969 -9.21868 -3.76835 GPRESSURE: 2079400 -3.54513 17.5094 47.8429 36.4296 -65.3938 -38.6768 -49.5103 -42.6726 12.6429 PRESSAVG: 2079400 36.6964 -29.395 9.5641 -29.3949 19.3513 27.2797 9.56411 27.2797 -44.3747 GPRESSAVG: 2079400 37.2511 -30.9438 5.9907 -30.3148 19.4394 27.766 10.7706 26.1366 -45.2124 TIMING: 2079400 CPU: 6210.3, 0.00302136/step Wall: 6210.3, 0.00302136/step, 2.45116 hours remaining, 206.640625 MB of memory in use. ENERGY: 2079400 766.8271 2036.5023 1944.6357 104.2140 -206496.0888 17729.6518 0.0000 0.0000 34327.5534 -149586.7044 299.7911 -183914.2578 -149488.5600 298.6154 -50.8886 -18.7654 557799.1167 3.8910 3.8260 PRESSURE: 2079600 -169.889 196.572 70.1418 196.571 139.555 -95.5163 70.1429 -95.5148 9.91976 GPRESSURE: 2079600 -120.902 185.72 64.4443 154.176 224.973 -111.166 14.6195 -172.973 -22.1844 PRESSAVG: 2079600 10.3287 -1.05265 25.2106 -1.05271 55.0124 -0.645386 25.2105 -0.64536 -49.2966 GPRESSAVG: 2079600 10.0054 -0.117957 28.1696 0.91919 54.8763 -2.68375 25.0978 0.739248 -48.9744 TIMING: 2079600 CPU: 6210.91, 0.00301573/step Wall: 6210.91, 0.00301573/step, 2.44643 hours remaining, 206.640625 MB of memory in use. ENERGY: 2079600 739.1421 2034.7458 1904.6563 110.6733 -206722.3788 17992.1608 0.0000 0.0000 34355.6555 -149585.3451 300.0365 -183941.0006 -149488.0960 299.6120 -6.8050 27.2954 555883.4776 5.3482 5.3024 PRESSURE: 2079800 198.189 -18.729 -137.477 -18.7289 79.6064 86.5752 -137.477 86.5744 115.89 GPRESSURE: 2079800 248.277 90.397 -166.149 -125.141 99.9294 -6.02786 -82.4745 74.367 153.848 PRESSAVG: 2079800 -29.5991 11.6185 -20.0774 11.6185 88.2545 -6.95114 -20.0774 -6.95105 -21.9309 GPRESSAVG: 2079800 -30.2086 11.9104 -21.0973 10.4266 88.2316 -7.10546 -18.2583 -5.92316 -21.0173 TIMING: 2079800 CPU: 6211.51, 0.00301536/step Wall: 6211.51, 0.00301536/step, 2.44596 hours remaining, 206.640625 MB of memory in use. ENERGY: 2079800 726.9927 2011.3361 1932.6553 108.4435 -206912.7272 18241.4648 0.0000 0.0000 34147.1556 -149744.6792 298.2156 -183891.8348 -149655.2838 298.7789 131.2285 167.3514 557084.7239 12.2415 12.3352 PRESSURE: 2080000 -26.164 -104.455 -33.1636 -104.454 23.1792 93.8404 -33.1648 93.8418 19.4829 GPRESSURE: 2080000 10.3811 -88.7317 -0.703402 -67.7473 40.9494 71.9939 -6.02921 67.3983 64.7224 PRESSAVG: 2080000 -12.5447 -29.4591 -13.1669 -29.4591 18.3941 19.1974 -13.1669 19.1973 22.9328 GPRESSAVG: 2080000 -11.8614 -29.9889 -11.4384 -28.4437 18.1876 20.1871 -14.4979 19.3148 22.2055 TIMING: 2080000 CPU: 6212.11, 0.00300655/step Wall: 6212.11, 0.00300655/step, 2.43865 hours remaining, 206.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2080000 733.4563 2034.7405 1945.4096 110.9477 -206486.9017 17929.9441 0.0000 0.0000 34055.6265 -149676.7770 297.4163 -183732.4035 -149580.6077 298.5633 5.4994 38.6843 556751.2437 9.5941 9.5106 PRESSURE: 2080200 37.9486 -94.9082 -24.5554 -94.907 -62.4747 -69.0927 -24.5557 -69.0928 174.293 GPRESSURE: 2080200 73.9662 -107.571 -1.23158 -67.1424 -42.0339 -55.0865 -88.7411 -61.8768 229.396 PRESSAVG: 2080200 34.7297 -34.5309 16.9321 -34.5309 -38.3518 -9.37937 16.9321 -9.37933 11.1458 GPRESSAVG: 2080200 34.5961 -33.1806 15.1109 -37.592 -36.7639 -9.00979 17.2347 -9.01875 9.28808 TIMING: 2080200 CPU: 6212.71, 0.00299612/step Wall: 6212.71, 0.00299612/step, 2.43002 hours remaining, 206.640625 MB of memory in use. ENERGY: 2080200 775.0062 2083.6416 1902.6147 108.4268 -206660.6581 17958.1840 0.0000 0.0000 34225.4912 -149607.2937 298.8997 -183832.7848 -149512.1597 297.7302 49.9223 87.1093 556197.5224 2.5079 2.3734 LDB: ============= START OF LOAD BALANCING ============== 6216.26 LDB: ============== END OF LOAD BALANCING =============== 6216.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6216.27 LDB: ============= START OF LOAD BALANCING ============== 6216.57 LDB: Largest compute 4773 load 0.031665 is 26.8% of average load 0.118181 LDB: Average compute 0.001737 is 1.5% of average load 0.118181 LDB: TIME 6216.57 LOAD: AVG 0.118181 MAX 0.212378 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.027 MB LDB: TIME 6216.57 LOAD: AVG 0.118181 MAX 0.212378 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.027 MB LDB: TIME 6216.57 LOAD: AVG 0.118181 MAX 0.212378 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.027 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6216.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6216.58 PRESSURE: 2080400 19.4015 -50.6794 43.8922 -50.6794 -85.2077 -185.537 43.8914 -185.534 80.2719 GPRESSURE: 2080400 71.8932 -44.291 22.2773 5.57834 -94.6992 -120.817 154.979 -191.993 146.646 PRESSAVG: 2080400 -36.2818 20.1896 17.8863 20.1895 30.1377 -85.1924 17.8864 -85.1923 8.95883 GPRESSAVG: 2080400 -36.3982 18.6274 19.0018 21.8787 29.0207 -84.4374 16.0879 -86.5207 11.209 TIMING: 2080400 CPU: 6213.33, 0.00308238/step Wall: 6213.33, 0.00308238/step, 2.49981 hours remaining, 207.226562 MB of memory in use. ENERGY: 2080400 755.1617 2097.7506 1936.8677 102.9386 -206808.8828 18033.1682 0.0000 0.0000 34327.1876 -149555.8084 299.7879 -183882.9960 -149456.6020 299.0316 4.8219 41.2799 556101.4049 0.9383 1.2772 PRESSURE: 2080600 -87.0978 146.316 89.1979 146.317 -114.594 -26.2037 89.1984 -26.2039 -16.8472 GPRESSURE: 2080600 -56.0014 180.019 54.5896 136.835 -88.1557 -21.1465 117.685 23.0361 30.9981 PRESSAVG: 2080600 -56.3121 7.77139 42.4212 7.77139 -15.9234 -30.1467 42.4212 -30.1467 69.4135 GPRESSAVG: 2080600 -57.181 6.24891 43.1481 8.5347 -15.119 -30.4248 45.0621 -31.0523 69.5469 TIMING: 2080600 CPU: 6213.93, 0.00301311/step Wall: 6213.93, 0.00301311/step, 2.44346 hours remaining, 207.226562 MB of memory in use. ENERGY: 2080600 769.1471 2039.2598 1909.2892 112.3553 -206201.7732 17691.8508 0.0000 0.0000 34322.0984 -149357.7725 299.7434 -183679.8709 -149264.0263 299.1359 -72.8465 -37.7197 557218.3694 -0.9407 -0.9177 PRESSURE: 2080800 -294.5 117.225 52.1423 117.225 66.6882 120.554 52.1414 120.552 -58.2162 GPRESSURE: 2080800 -226.365 136.876 59.8313 27.2008 33.5041 97.5663 90.6549 113.493 3.76004 PRESSAVG: 2080800 -27.6496 -23.2841 61.5614 -23.2841 47.9647 31.1698 61.5613 31.1698 -52.3527 GPRESSAVG: 2080800 -27.6456 -20.778 59.9779 -27.1924 47.7088 31.8346 61.6379 32.2682 -52.0832 TIMING: 2080800 CPU: 6214.53, 0.00300826/step Wall: 6214.53, 0.00300826/step, 2.43936 hours remaining, 207.226562 MB of memory in use. ENERGY: 2080800 739.0650 2107.8488 1915.9416 124.8867 -206055.1732 17637.9435 0.0000 0.0000 34216.2812 -149313.2065 298.8193 -183529.4876 -149225.3131 298.6375 -95.3427 -63.0336 558612.3723 -10.6792 -10.6733 PRESSURE: 2081000 -70.9436 -42.568 76.4376 -42.5689 67.2299 -24.7361 76.4371 -24.7352 328.641 GPRESSURE: 2081000 -65.5493 -70.1184 116.593 -11.6213 110.522 24.1338 142.34 -10.5067 388.066 PRESSAVG: 2081000 -23.4785 43.9778 18.9606 43.9778 41.5355 9.43515 18.9606 9.43509 3.55594 GPRESSAVG: 2081000 -22.4569 43.4642 20.0335 46.7754 40.4534 8.89422 19.1216 10.1607 3.39112 TIMING: 2081000 CPU: 6215.13, 0.0029797/step Wall: 6215.13, 0.0029797/step, 2.41604 hours remaining, 207.226562 MB of memory in use. ENERGY: 2081000 727.9012 2009.3753 1928.0998 121.9975 -206556.2392 18018.0770 0.0000 0.0000 34377.5584 -149373.2300 300.2278 -183750.7884 -149278.1768 298.9979 108.3093 144.3463 557098.8430 7.2043 7.1292 PRESSURE: 2081200 -258.944 74.5771 -145.744 74.5774 -34.4752 -72.1416 -145.744 -72.141 21.7512 GPRESSURE: 2081200 -220.454 118.343 -155.858 -18.3416 29.8122 -125.439 -56.4969 -6.46856 4.52807 PRESSAVG: 2081200 -41.965 41.1533 34.8205 41.1532 4.51782 -6.85851 34.8206 -6.85855 39.4523 GPRESSAVG: 2081200 -42.1621 41.7718 33.9946 41.8118 4.51375 -7.1313 34.5825 -6.16566 39.2718 TIMING: 2081200 CPU: 6215.72, 0.00296699/step Wall: 6215.72, 0.00296699/step, 2.40557 hours remaining, 207.226562 MB of memory in use. ENERGY: 2081200 723.6815 2078.2289 1916.9011 127.4397 -206383.5353 17766.4514 0.0000 0.0000 34290.1903 -149480.6424 299.4648 -183770.8327 -149390.4692 298.7461 -90.5561 -62.0378 558022.1661 0.6684 0.5411 PRESSURE: 2081400 220.289 91.9621 -14.41 91.9616 22.4611 -86.521 -14.4105 -86.5201 205.971 GPRESSURE: 2081400 288.421 10.7859 35.8831 109.856 76.3656 -66.8354 20.2125 -42.702 175.761 PRESSAVG: 2081400 -22.241 -57.3327 -21.4275 -57.3328 48.36 2.16892 -21.4276 2.16891 -15.1045 GPRESSAVG: 2081400 -21.2734 -57.749 -19.2427 -57.1167 48.5426 0.232317 -23.8749 3.00468 -16.5247 TIMING: 2081400 CPU: 6216.32, 0.00298758/step Wall: 6216.32, 0.00298758/step, 2.4221 hours remaining, 207.226562 MB of memory in use. ENERGY: 2081400 733.1356 2067.9957 1921.5573 108.1546 -206696.2875 18100.5883 0.0000 0.0000 34158.9360 -149605.9199 298.3185 -183764.8559 -149505.5515 298.5588 149.5736 180.1824 556987.5699 3.6715 3.5815 PRESSURE: 2081600 190.134 228.799 129.158 228.8 45.6026 273.667 129.159 273.665 79.6316 GPRESSURE: 2081600 240.178 240.072 116.858 178.799 72.8364 347.782 168.724 171.731 99.9231 PRESSAVG: 2081600 37.8591 35.5021 8.24167 35.5022 -41.9945 41.2607 8.24165 41.2607 -16.2643 GPRESSAVG: 2081600 37.6498 34.6736 5.39407 34.7454 -41.8204 42.5206 11.5735 40.0229 -16.1962 TIMING: 2081600 CPU: 6216.92, 0.00299062/step Wall: 6216.92, 0.00299062/step, 2.42439 hours remaining, 207.226562 MB of memory in use. ENERGY: 2081600 759.5794 2063.2182 1909.0730 120.8789 -206769.3997 18009.7459 0.0000 0.0000 34191.1548 -149715.7495 298.5999 -183906.9042 -149623.5076 297.8177 105.1229 137.6458 554789.3976 -6.7999 -6.7889 PRESSURE: 2081800 -265.119 -22.0558 73.2288 -22.0543 112.311 120.802 73.2295 120.801 60.1216 GPRESSURE: 2081800 -221.505 -92.4844 50.1237 16.4606 105.484 177.538 147.333 115.948 135.382 PRESSAVG: 2081800 -2.1129 40.9105 -6.75362 40.9106 21.0777 -1.24338 -6.75367 -1.24334 -25.632 GPRESSAVG: 2081800 -2.13041 40.3762 -4.97489 43.5292 19.9505 -0.310731 -7.95981 -1.16784 -24.0058 TIMING: 2081800 CPU: 6217.52, 0.00300038/step Wall: 6217.52, 0.00300038/step, 2.43214 hours remaining, 207.226562 MB of memory in use. ENERGY: 2081800 757.7293 2061.4677 1919.4700 122.3644 -206438.9426 17878.3486 0.0000 0.0000 34094.7996 -149604.7630 297.7584 -183699.5626 -149510.1735 298.1219 -30.8955 6.4536 557487.5658 -2.2224 -2.0619 PRESSURE: 2082000 -178.258 197.049 28.3973 197.049 196.124 -26.8933 28.3958 -26.8935 34.1555 GPRESSURE: 2082000 -115.697 262.166 41.6819 118.613 226.92 -100.835 94.7808 -43.8287 33.61 PRESSAVG: 2082000 5.3748 -21.2436 17.4753 -21.2436 23.8306 0.574744 17.4753 0.5747 7.12282 GPRESSAVG: 2082000 5.46002 -19.2387 17.4714 -22.7476 25.1613 -0.0232303 15.4624 -0.642755 6.25564 TIMING: 2082000 CPU: 6218.11, 0.00295815/step Wall: 6218.11, 0.00295815/step, 2.39774 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2082000 755.5462 2122.6950 1930.3259 111.6521 -206606.9117 17991.5370 0.0000 0.0000 34202.5226 -149492.6329 298.6991 -183695.1555 -149399.6601 297.8272 17.3407 48.2777 557263.4108 12.1094 12.2923 PRESSURE: 2082200 -177.796 -152.51 -137.964 -152.51 -170.015 -2.60815 -137.963 -2.60679 -126.088 GPRESSURE: 2082200 -205.1 -171.005 -113.8 -142.66 -111.354 -66.0011 -177.179 21.8694 -56.1537 PRESSAVG: 2082200 -52.0043 -39.4845 -31.3038 -39.4845 78.8354 -26.3693 -31.3037 -26.3693 -47.0353 GPRESSAVG: 2082200 -53.0485 -39.2649 -31.1707 -40.2227 80.1736 -25.4351 -31.7275 -27.5784 -46.6183 TIMING: 2082200 CPU: 6218.71, 0.00298402/step Wall: 6218.71, 0.00298402/step, 2.41854 hours remaining, 207.226562 MB of memory in use. ENERGY: 2082200 733.9349 2090.2796 1923.5382 126.6608 -206319.3003 17556.6275 0.0000 0.0000 34298.0805 -149590.1787 299.5337 -183888.2592 -149493.8148 298.0032 -157.9663 -124.2027 557311.9172 -6.7347 -6.4977 PRESSURE: 2082400 19.0318 -115.391 56.7797 -115.39 82.1142 -64.7008 56.7807 -64.7007 133.189 GPRESSURE: 2082400 -29.0394 -213.153 64.8761 -144.944 162.891 22.1596 114.649 -64.1009 188.701 PRESSAVG: 2082400 -31.3104 -37.2832 -9.26985 -37.2831 10.6712 22.907 -9.26983 22.907 45.14 GPRESSAVG: 2082400 -31.0766 -37.8691 -9.58204 -37.1091 10.1936 22.9567 -8.1179 22.9388 45.6438 TIMING: 2082400 CPU: 6219.31, 0.00300003/step Wall: 6219.31, 0.00300003/step, 2.43136 hours remaining, 207.226562 MB of memory in use. ENERGY: 2082400 756.5931 2046.7176 1949.4772 124.2941 -206517.8203 17970.1478 0.0000 0.0000 34212.8296 -149457.7610 298.7891 -183670.5906 -149359.5000 298.6458 78.1115 107.5176 556491.0309 8.1670 8.2536 PRESSURE: 2082600 -72.8083 54.2805 17.0513 54.2799 215.911 92.423 17.0515 92.4241 26.4851 GPRESSURE: 2082600 -64.3056 37.123 82.9544 75.3228 285.178 -12.5188 -43.7861 125.548 60.3604 PRESSAVG: 2082600 -38.4474 -60.3248 -38.2358 -60.3247 12.7433 -20.1653 -38.2358 -20.1653 34.9058 GPRESSAVG: 2082600 -38.1142 -59.9548 -40.5155 -61.4099 12.3651 -22.4695 -36.513 -16.6196 34.6705 TIMING: 2082600 CPU: 6219.9, 0.00298347/step Wall: 6219.9, 0.00298347/step, 2.41777 hours remaining, 207.507812 MB of memory in use. ENERGY: 2082600 731.2766 2097.2051 1910.3609 98.4433 -206486.8338 17844.6131 0.0000 0.0000 34264.3500 -149540.5848 299.2391 -183804.9348 -149444.9463 298.8723 56.5293 93.7442 556021.3289 3.0672 2.9738 PRESSURE: 2082800 -85.3939 -22.5141 17.8961 -22.5134 47.7431 84.6038 17.8958 84.6015 -5.8761 GPRESSURE: 2082800 -78.0833 -76.7639 -3.28911 -2.85304 148.129 57.412 94.1625 122.244 -15.3606 PRESSAVG: 2082800 -41.3654 33.8677 20.1016 33.8676 8.52654 18.0314 20.1016 18.0315 14.1552 GPRESSAVG: 2082800 -41.1571 33.5024 21.1942 34.7501 8.47261 18.7958 20.6277 17.4421 13.4566 TIMING: 2082800 CPU: 6220.5, 0.00297113/step Wall: 6220.5, 0.00297113/step, 2.40761 hours remaining, 207.507812 MB of memory in use. ENERGY: 2082800 733.2074 2133.1204 1901.3351 115.3154 -206481.7689 17823.6646 0.0000 0.0000 34325.9320 -149449.1941 299.7769 -183775.1261 -149347.8369 299.1632 -14.5090 18.2282 556601.7234 -6.2279 -6.4093 PRESSURE: 2083000 -35.5499 11.6924 89.9846 11.6931 110.128 60.9214 89.9842 60.922 -1.95869 GPRESSURE: 2083000 13.8167 -83.1406 66.1242 86.3399 64.3327 126.969 16.1397 58.6806 85.7288 PRESSAVG: 2083000 -91.1033 -55.6839 11.4008 -55.684 32.7883 12.932 11.401 12.9321 30.4727 GPRESSAVG: 2083000 -90.9693 -55.8643 11.4791 -55.5963 32.0773 14.9747 7.91617 12.2772 30.3523 TIMING: 2083000 CPU: 6221.09, 0.00297009/step Wall: 6221.09, 0.00297009/step, 2.4066 hours remaining, 207.507812 MB of memory in use. ENERGY: 2083000 719.4596 2093.5012 1917.9275 107.4585 -206562.7152 17980.4214 0.0000 0.0000 33987.9214 -149756.0257 296.8250 -183743.9470 -149659.1708 298.3996 24.2066 54.6261 556598.9886 -9.2808 -9.5133 PRESSURE: 2083200 -117.632 75.3414 -74.8773 75.3417 -296.5 208.833 -74.8781 208.832 -235.227 GPRESSURE: 2083200 -91.1231 83.3782 -71.6103 68.6108 -273.569 188.149 -68.6349 232.075 -195.609 PRESSAVG: 2083200 -42.1343 -45.1272 19.2399 -45.1272 -8.97193 -6.58819 19.2399 -6.58821 -7.39671 GPRESSAVG: 2083200 -42.4699 -45.6602 20.4738 -44.2021 -7.82412 -7.09791 21.2914 -8.29451 -8.0939 TIMING: 2083200 CPU: 6221.69, 0.00298568/step Wall: 6221.69, 0.00298568/step, 2.41907 hours remaining, 207.574219 MB of memory in use. ENERGY: 2083200 735.6485 2097.6774 1926.3266 112.4880 -206055.1683 17607.5991 0.0000 0.0000 34028.3949 -149547.0338 297.1784 -183575.4287 -149455.1081 297.9442 -216.4534 -186.7670 558064.5237 -19.5010 -19.4626 PRESSURE: 2083400 -167.603 56.7173 -2.00603 56.7169 80.9178 26.1543 -2.0053 26.1555 -37.7267 GPRESSURE: 2083400 -97.0888 60.6537 -24.2891 65.6583 109.9 15.1774 -10.0487 58.5847 -34.6859 PRESSAVG: 2083400 -21.2816 -11.5907 47.0669 -11.5907 60.8996 28.6246 47.067 28.6244 -17.2828 GPRESSAVG: 2083400 -19.9164 -11.0526 44.1403 -13.838 59.6938 26.7348 46.8543 30.8303 -17.759 TIMING: 2083400 CPU: 6222.28, 0.0029579/step Wall: 6222.28, 0.0029579/step, 2.39639 hours remaining, 207.574219 MB of memory in use. ENERGY: 2083400 765.0515 2069.8300 1965.9184 102.5635 -206203.6342 17724.4891 0.0000 0.0000 34108.3889 -149467.3927 297.8770 -183575.7816 -149369.6030 298.5655 -41.4706 -7.2917 556543.7464 7.4451 7.3395 PRESSURE: 2083600 -208.06 -86.9987 100.833 -86.9993 -248.901 -83.999 100.832 -83.9973 16.9539 GPRESSURE: 2083600 -147.196 -108.822 68.0248 -103.309 -203.109 -23.7067 159.327 5.98444 -9.23524 PRESSAVG: 2083600 -26.2565 -4.52202 66.1232 -4.522 8.98436 -14.0931 66.1232 -14.0932 17.9713 GPRESSAVG: 2083600 -26.9095 -3.91791 68.1712 -4.37202 9.04089 -11.4892 66.8348 -15.788 18.667 TIMING: 2083600 CPU: 6222.87, 0.00297139/step Wall: 6222.87, 0.00297139/step, 2.40716 hours remaining, 207.574219 MB of memory in use. ENERGY: 2083600 725.0207 2135.9197 1918.4790 123.0750 -206049.8565 17684.2472 0.0000 0.0000 34249.3343 -149213.7804 299.1080 -183463.1148 -149123.1001 298.9378 -146.6692 -119.8469 559231.0642 0.2331 0.2661 PRESSURE: 2083800 53.6311 73.079 -30.4746 73.0796 -34.8093 -129.93 -30.4757 -129.928 -114.108 GPRESSURE: 2083800 85.7636 95.0172 -68.4802 37.7093 -25.9352 -176.664 -3.36247 -112.574 -49.2155 PRESSAVG: 2083800 8.81861 0.950986 -3.01703 0.951045 -36.7219 -12.7783 -3.01695 -12.7783 40.3669 GPRESSAVG: 2083800 8.11455 2.05724 -3.32579 0.0352013 -35.618 -13.707 -4.6448 -10.6274 40.1738 TIMING: 2083800 CPU: 6223.47, 0.00297114/step Wall: 6223.47, 0.00297114/step, 2.40678 hours remaining, 207.574219 MB of memory in use. ENERGY: 2083800 733.1198 2053.6701 1921.3696 115.1158 -206170.8397 17893.5451 0.0000 0.0000 34318.8101 -149135.2093 299.7147 -183454.0193 -149046.4007 299.6521 -31.7622 3.5377 559090.7973 4.1545 4.2234 PRESSURE: 2084000 90.5384 -57.0838 14.9556 -57.0825 -92.1336 -104.714 14.9565 -104.715 42.4994 GPRESSURE: 2084000 110.675 -192.449 72.4093 -15.5962 -47.809 -97.7101 -9.8089 -103.444 78.5895 PRESSAVG: 2084000 2.72353 -30.5176 -24.9162 -30.5175 10.7149 -39.1983 -24.9162 -39.1983 -32.9846 GPRESSAVG: 2084000 2.19641 -32.802 -23.6667 -30.1619 10.4002 -40.3394 -23.4111 -39.5501 -31.9998 TIMING: 2084000 CPU: 6224.07, 0.0030031/step Wall: 6224.07, 0.0030031/step, 2.43251 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2084000 752.4568 2093.8121 1902.8332 115.8084 -206230.0607 17833.3289 0.0000 0.0000 34507.3508 -149024.4705 301.3613 -183531.8213 -148928.8391 299.5869 13.6347 47.1520 558149.5996 -6.5154 -6.4677 PRESSURE: 2084200 -88.5334 20.5109 -61.3669 20.511 50.7529 6.80461 -61.3671 6.80551 -127.993 GPRESSURE: 2084200 -58.5323 -7.1285 12.0943 32.221 86.1079 61.5309 -19.0841 -37.7555 -93.2851 PRESSAVG: 2084200 -19.4873 11.9768 51.868 11.9769 -11.79 -21.6708 51.868 -21.6707 40.7403 GPRESSAVG: 2084200 -18.2504 12.5466 52.0277 12.39 -11.9611 -20.4934 51.626 -22.2747 39.8498 TIMING: 2084200 CPU: 6224.67, 0.0030278/step Wall: 6224.67, 0.0030278/step, 2.45235 hours remaining, 207.574219 MB of memory in use. ENERGY: 2084200 747.2985 2173.6150 1922.1886 113.1794 -206003.4479 17688.2152 0.0000 0.0000 34359.5710 -148999.3802 300.0707 -183358.9512 -148897.8290 299.6952 -55.2578 -21.9032 558699.0590 3.1543 3.2128 LDB: ============= START OF LOAD BALANCING ============== 6228.23 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6228.23 LDB: =============== DONE WITH MIGRATION ================ 6228.23 LDB: ============= START OF LOAD BALANCING ============== 6228.53 LDB: Largest compute 4773 load 0.030108 is 25.5% of average load 0.118201 LDB: Average compute 0.001734 is 1.5% of average load 0.118201 LDB: TIME 6228.53 LOAD: AVG 0.118201 MAX 0.206966 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.551 MB LDB: TIME 6228.53 LOAD: AVG 0.118201 MAX 0.206966 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.555 MB LDB: TIME 6228.53 LOAD: AVG 0.118201 MAX 0.206966 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6228.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6228.54 PRESSURE: 2084400 168.696 17.262 -40.7745 17.2603 -264.406 134.904 -40.7747 134.905 12.4499 GPRESSURE: 2084400 166.336 61.8674 -76.2287 -66.7247 -181.532 173.188 0.567681 53.7795 32.5368 PRESSAVG: 2084400 -1.01704 -29.6261 19.8497 -29.6262 -32.6471 4.49591 19.8498 4.49584 25.9093 GPRESSAVG: 2084400 -1.09173 -30.6183 17.6189 -30.0009 -32.7233 3.75846 21.0953 4.0314 25.9679 TIMING: 2084400 CPU: 6225.29, 0.00306655/step Wall: 6225.29, 0.00306655/step, 2.48356 hours remaining, 208.562500 MB of memory in use. ENERGY: 2084400 776.5886 2140.6187 1916.6812 106.4744 -206095.3000 17757.1641 0.0000 0.0000 34324.6145 -149073.1585 299.7654 -183397.7730 -148982.2270 300.1270 -27.7535 5.7804 556328.5127 -2.5850 -2.6157 PRESSURE: 2084600 230.618 -121.083 49.3154 -121.083 -181.853 84.4417 49.3156 84.4418 -88.5297 GPRESSURE: 2084600 222.596 -11.8884 62.4301 -166.467 -166.695 115.013 80.0982 57.3848 -7.65083 PRESSAVG: 2084600 108.553 39.9524 16.7794 39.9524 -99.1846 13.3471 16.7795 13.3471 -14.394 GPRESSAVG: 2084600 108.418 41.402 19.2076 40.0736 -98.8961 11.6466 14.9723 14.1087 -14.6833 TIMING: 2084600 CPU: 6225.89, 0.00302483/step Wall: 6225.89, 0.00302484/step, 2.44961 hours remaining, 208.765625 MB of memory in use. ENERGY: 2084600 753.8674 2131.6057 1934.5942 121.9665 -206125.6962 17865.9903 0.0000 0.0000 34217.0344 -149100.6379 298.8259 -183317.6723 -148999.0196 299.4631 -13.2547 16.0834 558602.3700 -1.6753 -1.7206 PRESSURE: 2084800 19.1463 60.3927 67.0023 60.3921 -159.403 51.1584 67.0017 51.1596 -143.022 GPRESSURE: 2084800 84.3586 22.9503 97.401 83.1681 -145.748 -83.3039 -13.6957 50.5514 -118.775 PRESSAVG: 2084800 13.6261 -18.9233 -23.4199 -18.9233 -36.4979 -28.9198 -23.4198 -28.9199 -31.3742 GPRESSAVG: 2084800 13.842 -19.9355 -24.2533 -19.2253 -37.1494 -28.3119 -24.2327 -28.9641 -31.2706 TIMING: 2084800 CPU: 6226.49, 0.00300009/step Wall: 6226.49, 0.00300009/step, 2.4294 hours remaining, 208.765625 MB of memory in use. ENERGY: 2084800 753.8976 2082.2651 1938.2373 104.0681 -205578.0591 17492.7444 0.0000 0.0000 34213.9191 -148992.9275 298.7987 -183206.8466 -148897.6623 299.2385 -94.4261 -60.0546 557801.2267 -18.0820 -18.1927 PRESSURE: 2085000 -174.385 106.307 45.6851 106.308 -282.83 28.212 45.6859 28.2109 64.0678 GPRESSURE: 2085000 -144.529 143.418 77.3051 69.3384 -265.216 77.5255 84.7176 10.5385 118.948 PRESSAVG: 2085000 30.4245 -29.615 -7.98616 -29.615 32.5124 8.00874 -7.98627 8.00867 -3.43119 GPRESSAVG: 2085000 30.3252 -28.797 -8.9821 -30.2765 33.0345 7.17069 -5.42725 8.63916 -3.1418 TIMING: 2085000 CPU: 6227.09, 0.00299286/step Wall: 6227.09, 0.00299286/step, 2.42338 hours remaining, 208.765625 MB of memory in use. ENERGY: 2085000 748.9027 2044.5676 1932.1136 113.4107 -205516.8339 17613.2753 0.0000 0.0000 34106.1528 -148958.4112 297.8575 -183064.5641 -148866.5822 300.2663 -131.0492 -96.9324 558080.5808 19.8353 20.0726 PRESSURE: 2085200 -284.654 32.3602 14.2795 32.3607 -213.943 -113.248 14.2793 -113.248 -266.902 GPRESSURE: 2085200 -278.432 59.6911 44.9471 15.7152 -192.654 -89.4314 -51.9738 -138.262 -199.279 PRESSAVG: 2085200 -35.7013 28.4531 37.9132 28.4531 18.6583 -76.6923 37.9131 -76.6923 -0.0941047 GPRESSAVG: 2085200 -35.6487 28.5773 39.5348 29.2336 18.9238 -76.153 35.9621 -78.1353 -0.662579 TIMING: 2085200 CPU: 6227.69, 0.00301766/step Wall: 6227.69, 0.00301766/step, 2.4433 hours remaining, 208.765625 MB of memory in use. ENERGY: 2085200 689.2661 2031.9502 1959.7709 111.1366 -205170.8366 17270.8582 0.0000 0.0000 34267.2973 -148840.5574 299.2648 -183107.8546 -148743.7285 299.7357 -255.1666 -223.4551 560203.1099 -5.7124 -5.7958 PRESSURE: 2085400 -358.618 83.8707 14.7028 83.8718 -174.182 -81.1284 14.7041 -81.1278 40.5132 GPRESSURE: 2085400 -339.797 65.0195 29.0403 31.7151 -88.1336 -44.3379 -10.8203 -106.098 37.636 PRESSAVG: 2085400 -45.1999 -25.3381 45.8296 -25.3381 8.50564 37.784 45.8297 37.7841 8.10179 GPRESSAVG: 2085400 -43.774 -24.9884 43.3782 -25.9892 8.27508 37.9921 47.6528 37.8503 7.02501 TIMING: 2085400 CPU: 6228.29, 0.00300274/step Wall: 6228.29, 0.00300274/step, 2.43105 hours remaining, 208.765625 MB of memory in use. ENERGY: 2085400 802.6164 2024.2888 1904.4810 118.9837 -205862.5373 17580.3245 0.0000 0.0000 34528.1957 -148903.6471 301.5433 -183431.8428 -148799.8549 299.9392 -164.0958 -130.0981 558846.3352 -9.5308 -9.4913 PRESSURE: 2085600 227.585 -161.292 113.32 -161.291 111.782 21.1787 113.32 21.1792 -26.5425 GPRESSURE: 2085600 331.063 -118.327 120.275 -175.697 130.762 20.2044 130.968 -16.2208 -49.0001 PRESSAVG: 2085600 -49.7893 -11.5088 -5.06179 -11.5088 76.2381 -35.5807 -5.0618 -35.5806 -5.69456 GPRESSAVG: 2085600 -51.2917 -11.9425 -4.31334 -11.3028 75.9772 -35.4248 -8.45129 -33.1577 -4.51666 TIMING: 2085600 CPU: 6228.9, 0.00300795/step Wall: 6228.9, 0.00300795/step, 2.4351 hours remaining, 208.765625 MB of memory in use. ENERGY: 2085600 691.7546 2137.5294 1938.6791 108.2590 -206225.0570 17953.4685 0.0000 0.0000 34419.7351 -148975.6313 300.5961 -183395.3664 -148879.2629 299.7941 104.2747 137.6084 557436.5595 6.9181 6.7230 PRESSURE: 2085800 -93.6444 -0.881338 36.3636 -0.880937 -295.757 -27.7046 36.3644 -27.7055 -125.181 GPRESSURE: 2085800 -118.587 93.9474 14.3808 -54.0938 -242.912 30.7647 24.4539 -28.2489 -69.558 PRESSAVG: 2085800 -22.604 51.1351 1.57802 51.135 -30.3658 54.4554 1.57799 54.4555 98.8084 GPRESSAVG: 2085800 -22.0723 50.8304 2.23438 52.494 -29.873 54.3175 4.4453 53.4859 98.0138 TIMING: 2085800 CPU: 6229.49, 0.00299107/step Wall: 6229.49, 0.00299107/step, 2.42127 hours remaining, 208.765625 MB of memory in use. ENERGY: 2085800 741.8833 2063.5995 1941.1888 109.5782 -205462.3565 17344.8337 0.0000 0.0000 34420.3026 -148840.9704 300.6011 -183261.2730 -148743.2686 300.1559 -171.5276 -143.6856 559364.5518 15.2795 15.3562 PRESSURE: 2086000 -191.632 10.3725 177.035 10.3722 -86.228 -25.4772 177.033 -25.4798 -31.6411 GPRESSURE: 2086000 -172.577 27.4623 167.036 18.3271 -43.4045 -47.5448 163.841 -63.1273 9.68053 PRESSAVG: 2086000 -18.4389 49.7197 5.11918 49.7197 -11.0926 52.6854 5.1192 52.6855 12.4108 GPRESSAVG: 2086000 -18.5898 49.81 3.92651 49.2625 -11.709 53.0002 2.73542 49.6185 13.1176 TIMING: 2086000 CPU: 6230.09, 0.00296485/step Wall: 6230.09, 0.00296485/step, 2.39988 hours remaining, 208.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2086000 707.8956 2101.7302 1915.0879 110.9735 -205651.6991 17597.0682 0.0000 0.0000 34282.9522 -148935.9916 299.4015 -183218.9437 -148839.1218 300.7548 -103.1672 -68.7669 560501.7234 -5.7069 -5.7271 PRESSURE: 2086200 -27.282 116.045 -32.6872 116.047 -83.9755 -100.309 -32.6879 -100.31 -153.252 GPRESSURE: 2086200 6.93072 144.946 -54.9011 162.364 -54.6209 -86.031 -9.71972 -24.0944 -117.92 PRESSAVG: 2086200 -47.514 33.4392 40.8113 33.4391 51.0107 -38.4518 40.8113 -38.4519 14.1548 GPRESSAVG: 2086200 -47.8527 32.1231 41.1109 34.0723 51.33 -38.9315 42.3978 -37.2918 14.3177 TIMING: 2086200 CPU: 6230.69, 0.00299391/step Wall: 6230.69, 0.00299391/step, 2.42323 hours remaining, 208.765625 MB of memory in use. ENERGY: 2086200 760.6968 2108.6070 1943.4727 102.9252 -206051.9268 17825.5911 0.0000 0.0000 34344.3747 -148966.2593 299.9380 -183310.6340 -148873.9547 299.2931 -88.1698 -55.2034 558501.4298 5.8838 5.9317 PRESSURE: 2086400 12.8788 -57.8698 -37.9263 -57.8707 35.4984 -187.271 -37.9261 -187.271 191.533 GPRESSURE: 2086400 83.5412 -49.3395 32.4248 2.62846 69.2523 -177.451 -115.717 -154.405 198.087 PRESSAVG: 2086400 53.0844 70.7267 26.8881 70.7267 12.4564 -108.06 26.8881 -108.06 -37.1917 GPRESSAVG: 2086400 53.396 72.9047 29.1688 70.0949 12.8663 -108.73 26.0425 -106.76 -37.4598 TIMING: 2086400 CPU: 6231.28, 0.00294776/step Wall: 6231.28, 0.00294776/step, 2.38572 hours remaining, 208.835938 MB of memory in use. ENERGY: 2086400 772.3223 2024.3434 1963.1656 108.7049 -206296.9540 17935.0063 0.0000 0.0000 34519.0254 -148974.3860 301.4632 -183493.4115 -148880.4855 300.4975 79.9701 116.9603 556902.7161 9.4497 9.6008 PRESSURE: 2086600 172.652 192.891 -11.7075 192.891 -124.455 43.7984 -11.708 43.7987 120.644 GPRESSURE: 2086600 200.77 153.849 -12.912 166.957 -33.1767 73.7607 -23.8515 38.8146 91.7154 PRESSAVG: 2086600 -14.4758 33.8314 13.4771 33.8315 22.4475 -32.6403 13.4772 -32.6403 7.92113 GPRESSAVG: 2086600 -15.1624 32.4603 12.2232 35.7902 21.5382 -31.8915 14.1117 -33.4906 9.8974 TIMING: 2086600 CPU: 6231.87, 0.00296563/step Wall: 6231.87, 0.00296563/step, 2.40002 hours remaining, 208.835938 MB of memory in use. ENERGY: 2086600 730.9453 2084.1729 1919.7316 114.8793 -205842.6883 17780.3776 0.0000 0.0000 34007.8071 -149204.7745 296.9986 -183212.5816 -149103.8270 299.7405 56.2802 86.4363 557211.4507 5.2976 5.4244 PRESSURE: 2086800 -385.623 11.3425 105.372 11.342 -136.499 105.053 105.371 105.054 -183.185 GPRESSURE: 2086800 -359.261 -28.6408 85.0729 16.9441 -132.996 77.0493 -13.4155 31.9003 -112.343 PRESSAVG: 2086800 4.88793 86.9884 -14.4545 86.9884 -1.82607 43.6102 -14.4546 43.6101 -25.7858 GPRESSAVG: 2086800 5.87639 86.1318 -14.935 85.9484 -1.13595 44.2221 -15.2376 43.4481 -27.062 TIMING: 2086800 CPU: 6232.47, 0.00299224/step Wall: 6232.47, 0.00299224/step, 2.42139 hours remaining, 208.835938 MB of memory in use. ENERGY: 2086800 736.4238 2113.3369 1931.7109 124.0841 -205668.4911 17439.7905 0.0000 0.0000 34164.7130 -149158.4319 298.3689 -183323.1449 -149057.8475 299.1211 -235.1026 -201.5334 559373.7809 -7.5747 -7.4405 PRESSURE: 2087000 216.932 44.2613 91.9795 44.2605 174.173 -7.86636 91.9792 -7.86532 46.1513 GPRESSURE: 2087000 239.721 112.595 110.732 100.687 245.747 8.80142 75.3982 -20.9168 57.2855 PRESSAVG: 2087000 24.3463 21.0147 -30.405 21.0146 7.02523 -16.3832 -30.4051 -16.3833 -61.7762 GPRESSAVG: 2087000 24.6521 22.0681 -31.766 20.9636 7.86122 -17.3037 -30.4076 -16.3613 -63.2786 TIMING: 2087000 CPU: 6233.07, 0.00300375/step Wall: 6233.07, 0.00300375/step, 2.43054 hours remaining, 208.835938 MB of memory in use. ENERGY: 2087000 744.4992 2068.1685 1918.2727 121.7988 -206610.1655 18214.2320 0.0000 0.0000 34356.2757 -149186.9186 300.0419 -183543.1943 -149083.4464 299.5914 145.7520 180.9177 557572.9025 -10.1349 -10.2551 PRESSURE: 2087200 -174.262 -96.1855 -73.6474 -96.1865 132.267 -51.0178 -73.6488 -51.018 -108.15 GPRESSURE: 2087200 -106.639 -102.745 -202.32 -44.9296 116.035 -38.9913 -25.9621 -100.541 -64.0764 PRESSAVG: 2087200 -2.13129 14.4665 -12.1529 14.4665 -8.32925 -9.00121 -12.1529 -9.00126 -21.5583 GPRESSAVG: 2087200 -2.59094 15.0987 -10.915 14.1881 -8.90905 -8.9604 -13.5681 -11.2595 -20.7574 TIMING: 2087200 CPU: 6233.66, 0.0029746/step Wall: 6233.66, 0.0029746/step, 2.40678 hours remaining, 208.835938 MB of memory in use. ENERGY: 2087200 740.7930 2084.6854 1943.2386 107.4467 -205863.4752 17561.1233 0.0000 0.0000 34268.9506 -149157.2376 299.2793 -183426.1882 -149055.7311 299.2594 -50.0483 -18.2270 558784.5940 -10.6730 -10.7525 PRESSURE: 2087400 225.844 22.3034 -89.5408 22.3043 -49.2709 -55.9317 -89.5405 -55.9324 153.449 GPRESSURE: 2087400 262.472 45.0069 61.727 12.4039 -40.4731 37.5509 -115.105 -130.398 203.458 PRESSAVG: 2087400 7.3446 -77.0921 -83.2669 -77.0921 12.512 -5.43838 -83.2668 -5.43849 21.8039 GPRESSAVG: 2087400 7.78361 -77.9982 -85.1232 -75.6592 12.2173 -3.55894 -82.8759 -3.54021 22.122 TIMING: 2087400 CPU: 6234.26, 0.0029856/step Wall: 6234.26, 0.0029856/step, 2.41552 hours remaining, 208.835938 MB of memory in use. ENERGY: 2087400 778.1008 2048.2800 1924.5684 103.2715 -206293.0425 17850.3827 0.0000 0.0000 34427.4311 -149161.0080 300.6633 -183588.4391 -149068.3306 299.5262 110.0074 141.8189 556770.3643 13.8868 14.0410 PRESSURE: 2087600 40.1753 -33.378 -60.0447 -33.3783 -210.808 -58.1396 -60.0444 -58.1392 -347.764 GPRESSURE: 2087600 91.3626 20.3853 -48.995 -37.0974 -198.346 -93.4578 12.8092 -8.82454 -313.939 PRESSAVG: 2087600 34.5323 -24.9157 52.7187 -24.9157 -78.6104 5.90509 52.7188 5.905 16.8274 GPRESSAVG: 2087600 35.4185 -24.1302 54.7953 -25.1574 -78.4127 3.76247 55.6829 8.92721 15.7256 TIMING: 2087600 CPU: 6234.86, 0.00297806/step Wall: 6234.86, 0.00297806/step, 2.40925 hours remaining, 208.835938 MB of memory in use. ENERGY: 2087600 788.5504 2109.5389 1952.7477 121.3268 -206167.3243 17643.1596 0.0000 0.0000 34368.1383 -149183.8625 300.1455 -183552.0008 -149076.4489 299.5912 -172.7989 -140.3074 557065.9445 -9.0835 -9.0895 PRESSURE: 2087800 -141.245 29.3748 -38.5097 29.3756 -190.618 79.1723 -38.5097 79.1733 -24.4398 GPRESSURE: 2087800 -57.8299 19.8157 -99.9144 -33.3667 -177.332 183.914 -4.67298 -26.6661 -20.5561 PRESSAVG: 2087800 57.3804 16.4609 30.1469 16.4609 -55.6618 42.1216 30.1469 42.1216 7.73969 GPRESSAVG: 2087800 56.2631 14.7579 31.4534 15.9724 -55.4334 41.0979 28.8866 40.2769 8.906 TIMING: 2087800 CPU: 6235.45, 0.00298987/step Wall: 6235.45, 0.00298987/step, 2.41864 hours remaining, 208.835938 MB of memory in use. ENERGY: 2087800 754.5199 2113.9516 1941.2316 111.5260 -206023.4792 17600.5043 0.0000 0.0000 34416.3976 -149085.3482 300.5670 -183501.7459 -148985.3286 299.6764 -118.7677 -85.2394 557783.9778 3.1528 3.2452 PRESSURE: 2088000 -260.203 -89.9145 -45.0053 -89.9143 -360.19 15.3877 -45.0045 15.3871 -163.441 GPRESSURE: 2088000 -250.324 -61.7209 -29.4961 -61.1981 -312.484 45.5581 31.8805 17.0673 -134.541 PRESSAVG: 2088000 -17.4508 27.0857 27.4788 27.0857 -9.46893 5.4068 27.4788 5.40673 46.4066 GPRESSAVG: 2088000 -17.1158 28.4115 24.9461 25.2052 -8.53686 6.1374 27.7732 6.21588 45.3024 TIMING: 2088000 CPU: 6236.05, 0.00296802/step Wall: 6236.05, 0.00296802/step, 2.4008 hours remaining, 208.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2088000 780.6172 2142.1524 1932.3216 111.5225 -205948.5515 17491.1818 0.0000 0.0000 34335.7921 -149154.9637 299.8630 -183490.7559 -149049.4635 299.7957 -261.2781 -232.4497 559194.8395 6.4956 6.5499 PRESSURE: 2088200 -237.903 -33.5345 57.5788 -33.5325 -177.011 -48.6828 57.5783 -48.6843 -244.098 GPRESSURE: 2088200 -193.933 25.9242 65.8281 -15.6602 -175.778 -53.4765 76.1782 95.7709 -195.158 PRESSAVG: 2088200 9.26894 50.4093 3.26263 50.4094 -40.3401 21.9243 3.26266 21.9243 -1.3967 GPRESSAVG: 2088200 9.95144 50.7504 4.5112 50.941 -43.0029 24.1512 4.2819 20.2258 0.670409 TIMING: 2088200 CPU: 6236.64, 0.002983/step Wall: 6236.64, 0.002983/step, 2.41275 hours remaining, 208.835938 MB of memory in use. ENERGY: 2088200 768.4506 2121.7394 1918.4520 120.6904 -205934.2409 17479.7502 0.0000 0.0000 34398.9939 -149126.1643 300.4150 -183525.1582 -149027.2257 300.0642 -219.6703 -188.2897 558270.3077 -10.8226 -10.7937 LDB: ============= START OF LOAD BALANCING ============== 6240.19 LDB: ============== END OF LOAD BALANCING =============== 6240.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6240.2 LDB: ============= START OF LOAD BALANCING ============== 6240.5 LDB: Largest compute 4773 load 0.029454 is 24.9% of average load 0.118231 LDB: Average compute 0.001733 is 1.5% of average load 0.118231 LDB: TIME 6240.5 LOAD: AVG 0.118231 MAX 0.207715 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.312 MB LDB: TIME 6240.5 LOAD: AVG 0.118231 MAX 0.207715 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.312 MB LDB: TIME 6240.5 LOAD: AVG 0.118231 MAX 0.207715 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.312 MB LDB: ============== END OF LOAD BALANCING =============== 6240.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6240.51 PRESSURE: 2088400 136.452 -72.8416 -66.5697 -72.8407 -96.8657 -26.6333 -66.5703 -26.6333 262.902 GPRESSURE: 2088400 203.723 -95.1441 -98.7991 -132.079 -68.5277 22.1758 -53.897 -106.907 275.006 PRESSAVG: 2088400 31.5698 30.7419 17.6434 30.7418 -6.34337 38.2072 17.6434 38.2072 -14.193 GPRESSAVG: 2088400 31.077 30.9766 15.1954 31.5732 -4.51718 35.4821 17.9381 39.2594 -15.5306 TIMING: 2088400 CPU: 6237.26, 0.00305788/step Wall: 6237.26, 0.00305788/step, 2.47314 hours remaining, 206.824219 MB of memory in use. ENERGY: 2088400 762.2135 2098.7578 1912.4115 116.7860 -206474.1285 17971.7854 0.0000 0.0000 34410.7565 -149201.4178 300.5177 -183612.1743 -149101.3078 299.5705 100.8295 136.7336 554900.3679 3.6778 3.6764 PRESSURE: 2088600 295.373 126.198 -36.948 126.198 143.682 101.115 -36.9479 101.116 163.827 GPRESSURE: 2088600 302.999 21.0929 80.26 214.002 218.693 14.246 -133.144 170.792 187.826 PRESSAVG: 2088600 30.3075 27.38 -23.4965 27.38 30.8745 -8.94105 -23.4965 -8.94093 -56.3196 GPRESSAVG: 2088600 31.2331 27.0828 -22.1936 26.3911 30.0264 -8.7374 -25.118 -8.99046 -56.4048 TIMING: 2088600 CPU: 6237.86, 0.003017/step Wall: 6237.86, 0.003017/step, 2.43991 hours remaining, 207.082031 MB of memory in use. ENERGY: 2088600 748.9425 2128.1878 1921.3300 115.4500 -206467.3555 18042.7411 0.0000 0.0000 34268.2644 -149242.4397 299.2733 -183510.7041 -149144.9500 298.8250 200.9606 236.5062 555150.4364 1.6208 1.6182 PRESSURE: 2088800 -104.593 19.0382 -20.6106 19.0388 -127.15 127.795 -20.6108 127.796 42.5711 GPRESSURE: 2088800 -64.1218 -45.1697 -76.2455 17.3568 -138.826 151.317 41.6987 99.2774 115.536 PRESSAVG: 2088800 8.92524 11.4376 29.8624 11.4375 -53.6081 23.0866 29.8624 23.0867 8.5122 GPRESSAVG: 2088800 8.6038 12.0343 29.4297 11.6749 -52.7778 24.4965 29.6771 21.7539 7.9998 TIMING: 2088800 CPU: 6238.46, 0.00301478/step Wall: 6238.46, 0.00301478/step, 2.43795 hours remaining, 207.082031 MB of memory in use. ENERGY: 2088800 755.1343 2090.4458 1904.4892 123.2975 -206166.3671 17770.0799 0.0000 0.0000 34405.9764 -149116.9440 300.4759 -183522.9205 -149026.5263 299.5944 -63.0573 -29.1371 557428.7772 -12.0569 -12.0581 PRESSURE: 2089000 -240.214 -97.8259 -128.826 -97.8265 -79.8297 156.324 -128.826 156.323 -119.798 GPRESSURE: 2089000 -193.51 -63.2919 -72.3003 -21.3058 -71.81 72.1976 -133.371 228.382 -87.8214 PRESSAVG: 2089000 23.2111 -11.4597 -18.848 -11.4597 -12.9295 58.5226 -18.8481 58.5227 -57.3816 GPRESSAVG: 2089000 23.9997 -11.8425 -17.6679 -11.6479 -13.5943 58.5908 -18.8605 59.1882 -57.8299 TIMING: 2089000 CPU: 6239.06, 0.00299626/step Wall: 6239.06, 0.00299626/step, 2.42281 hours remaining, 207.082031 MB of memory in use. ENERGY: 2089000 758.7518 2141.3142 1907.5195 127.4966 -205909.0875 17600.7695 0.0000 0.0000 34201.4985 -149171.7373 298.6902 -183373.2359 -149072.7169 300.2275 -146.6139 -117.7138 558109.8724 -15.7000 -15.8082 PRESSURE: 2089200 -208.678 -86.8708 43.0293 -86.8714 -146.92 -42.7282 43.029 -42.7291 -360.225 GPRESSURE: 2089200 -206.097 -74.7899 22.7045 -63.1361 -108.521 -76.2136 34.5491 -45.6173 -307.24 PRESSAVG: 2089200 33.2375 -18.5118 -16.6972 -18.5118 53.3264 4.02544 -16.6972 4.02545 -50.0824 GPRESSAVG: 2089200 32.6158 -18.5343 -16.7146 -16.0688 54.2128 2.79581 -15.9305 4.67207 -49.8839 TIMING: 2089200 CPU: 6239.66, 0.00297363/step Wall: 6239.66, 0.00297363/step, 2.40435 hours remaining, 207.082031 MB of memory in use. ENERGY: 2089200 754.6112 2094.1414 1917.1971 130.9299 -205876.0594 17530.6891 0.0000 0.0000 34265.8651 -149182.6256 299.2523 -183448.4907 -149077.0974 299.5318 -238.6075 -207.2862 558012.7914 12.1605 12.3149 PRESSURE: 2089400 -171.329 -76.3181 34.2878 -76.319 -30.059 -1.83825 34.287 -1.83847 -95.5079 GPRESSURE: 2089400 -156.152 -119.246 92.4039 -44.5563 28.216 -39.8653 -12.3522 4.97246 -85.4536 PRESSAVG: 2089400 -13.5874 14.4931 21.2783 14.4931 11.5447 0.0360478 21.2783 0.0360821 -38.7033 GPRESSAVG: 2089400 -14.1591 15.6649 21.2798 9.52788 11.6385 1.4884 22.1094 -0.499216 -38.1759 TIMING: 2089400 CPU: 6240.24, 0.00294666/step Wall: 6240.24, 0.00294666/step, 2.38237 hours remaining, 207.082031 MB of memory in use. ENERGY: 2089400 780.6644 2089.3833 1919.8744 120.4550 -206348.6838 17914.1646 0.0000 0.0000 34207.2226 -149316.9195 298.7402 -183524.1420 -149222.3305 299.1259 -98.9652 -71.1298 559324.0462 -13.5820 -13.5655 PRESSURE: 2089600 146.83 -17.746 91.0516 -17.7469 -55.3741 -92.8956 91.0521 -92.8944 -60.874 GPRESSURE: 2089600 135.547 -151.412 4.89669 45.711 15.9281 -76.8828 72.0545 -188.289 -27.5315 PRESSAVG: 2089600 24.9647 2.16451 -7.14104 2.16451 36.3991 -23.5893 -7.14112 -23.5892 -79.7973 GPRESSAVG: 2089600 24.1653 0.102713 -6.0123 5.27152 37.8536 -23.5732 -9.50288 -24.9278 -79.5067 TIMING: 2089600 CPU: 6240.84, 0.00296378/step Wall: 6240.84, 0.00296378/step, 2.39605 hours remaining, 207.082031 MB of memory in use. ENERGY: 2089600 762.7448 2087.8505 1919.5628 118.7145 -206283.8317 17803.3381 0.0000 0.0000 34309.5915 -149282.0296 299.6342 -183591.6211 -149180.8892 298.5821 10.1938 41.3146 557300.6077 -6.1445 -5.8293 PRESSURE: 2089800 12.7092 -83.022 -183.117 -83.0207 -104.13 105.871 -183.117 105.87 -69.3013 GPRESSURE: 2089800 29.4519 12.6306 -21.4378 -21.3333 -88.6529 55.6662 -191.327 96.4889 -9.03936 PRESSAVG: 2089800 -37.7439 -44.887 -47.0454 -44.887 26.389 -50.6631 -47.0453 -50.6631 54.3373 GPRESSAVG: 2089800 -37.9053 -44.8732 -46.778 -43.927 24.7859 -52.2212 -46.7617 -49.142 56.5196 TIMING: 2089800 CPU: 6241.43, 0.00298006/step Wall: 6241.43, 0.00298006/step, 2.40905 hours remaining, 207.082031 MB of memory in use. ENERGY: 2089800 754.5580 2098.7426 1923.4805 106.6796 -206191.4021 17624.1320 0.0000 0.0000 34551.7029 -149132.1065 301.7486 -183683.8095 -149037.2669 299.0370 -53.5740 -22.7468 556421.3577 14.3275 14.4668 PRESSURE: 2090000 36.669 26.0733 125.282 26.0736 -8.11701 13.0378 125.282 13.0368 -184.179 GPRESSURE: 2090000 100.312 9.39267 104.449 42.8799 39.0895 -37.3501 74.1316 3.1271 -210.987 PRESSAVG: 2090000 44.7561 -3.28309 21.1578 -3.28302 -7.37574 -4.94916 21.1578 -4.94925 -2.58398 GPRESSAVG: 2090000 44.8442 -4.02994 21.7811 -3.97621 -6.81118 -2.59196 20.8352 -6.89966 -3.32707 TIMING: 2090000 CPU: 6242.03, 0.00297534/step Wall: 6242.03, 0.00297534/step, 2.40507 hours remaining, 207.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2090000 777.6668 2094.1459 1933.5856 115.5683 -206078.5144 17708.5218 0.0000 0.0000 34210.4330 -149238.5929 298.7682 -183449.0259 -149142.3194 299.7524 -51.8758 -23.8617 556862.7316 11.5988 11.5686 PRESSURE: 2090200 -228.844 -23.2604 -35.1229 -23.2607 78.1172 -114.904 -35.1226 -114.905 65.5087 GPRESSURE: 2090200 -161.33 6.371 6.5741 -42.0014 80.8474 -134.222 -29.9135 -110.744 85.3993 PRESSAVG: 2090200 -9.92975 -44.3738 21.7472 -44.3737 15.0975 -22.9795 21.7471 -22.9796 -61.57 GPRESSAVG: 2090200 -8.33827 -41.3424 20.9138 -45.1169 14.6734 -24.3075 22.4842 -20.6338 -62.7289 TIMING: 2090200 CPU: 6242.62, 0.00297077/step Wall: 6242.62, 0.00297077/step, 2.40121 hours remaining, 207.082031 MB of memory in use. ENERGY: 2090200 797.4127 2035.4183 1908.8360 98.0565 -206221.3408 17814.5705 0.0000 0.0000 34292.5194 -149274.5275 299.4851 -183567.0468 -149175.5216 298.7256 -28.4060 1.6390 556807.2226 -18.8007 -18.7979 PRESSURE: 2090400 -44.6801 39.725 -21.2372 39.7245 -51.3947 20.4654 -21.2367 20.4631 -18.278 GPRESSURE: 2090400 -0.918643 102.095 9.11997 1.7383 -30.5271 44.846 -1.88983 -40.2658 14.5313 PRESSAVG: 2090400 -40.9172 -77.7613 -6.82769 -77.7613 33.1295 -12.5703 -6.8278 -12.5704 50.3835 GPRESSAVG: 2090400 -40.0927 -77.2354 -7.64014 -80.9183 31.5566 -12.5719 -5.26828 -15.651 51.4318 TIMING: 2090400 CPU: 6243.22, 0.00296717/step Wall: 6243.22, 0.00296717/step, 2.39813 hours remaining, 207.082031 MB of memory in use. ENERGY: 2090400 758.0319 2104.7139 1931.4933 121.3278 -206119.4194 17547.7162 0.0000 0.0000 34306.4124 -149349.7240 299.6064 -183656.1363 -149258.5581 299.4578 -38.1176 -5.6382 555979.2174 14.1986 14.2986 PRESSURE: 2090600 -44.3884 12.8632 18.4924 12.8625 -7.22637 15.0457 18.4921 15.0457 153.609 GPRESSURE: 2090600 -3.51761 -27.1132 -34.868 -12.6512 -5.49875 23.62 26.7139 45.6114 219.458 PRESSAVG: 2090600 17.0948 -44.3031 50.6178 -44.3032 -39.7506 -30.227 50.6178 -30.2271 45.8691 GPRESSAVG: 2090600 16.1301 -44.1104 53.253 -43.0112 -39.5893 -30.0236 49.0784 -29.3921 46.7787 TIMING: 2090600 CPU: 6243.81, 0.00299281/step Wall: 6243.81, 0.00299281/step, 2.41869 hours remaining, 207.082031 MB of memory in use. ENERGY: 2090600 776.2498 2023.8501 1932.5033 115.1526 -206468.6742 17758.1622 0.0000 0.0000 34343.7421 -149519.0141 299.9324 -183862.7562 -149423.2961 298.7872 33.9980 70.1473 554629.1220 7.7378 7.7732 PRESSURE: 2090800 -98.7367 -117.494 -156.161 -117.494 -210.512 -39.506 -156.16 -39.5076 -267.592 GPRESSURE: 2090800 -38.3449 -89.2968 -220.153 -154.629 -185.76 -87.9314 -153.277 -11.0379 -252.138 PRESSAVG: 2090800 7.8364 -59.5146 4.53741 -59.5146 -14.9105 -1.47086 4.53735 -1.4709 7.03819 GPRESSAVG: 2090800 7.69339 -61.3012 0.833743 -58.8486 -13.5906 -0.468757 4.14901 -1.15247 6.43514 TIMING: 2090800 CPU: 6244.42, 0.00300407/step Wall: 6244.42, 0.00300407/step, 2.42762 hours remaining, 207.082031 MB of memory in use. ENERGY: 2090800 750.9628 2104.1135 1929.0670 116.3510 -206059.7891 17463.8134 0.0000 0.0000 34191.4714 -149504.0099 298.6026 -183695.4813 -149411.0006 298.6372 -192.2802 -158.7475 554435.4495 -0.0120 0.1793 PRESSURE: 2091000 -44.5876 37.4549 104.129 37.4554 58.8004 -24.0265 104.13 -24.026 -16.297 GPRESSURE: 2091000 -19.5492 53.9248 142.351 36.952 53.6901 95.8764 159.717 -103.585 66.3946 PRESSAVG: 2091000 -45.8537 -58.2679 62.9916 -58.2678 61.0622 -6.58641 62.9917 -6.58647 5.16451 GPRESSAVG: 2091000 -45.7609 -58.8126 63.6994 -57.4765 61.4616 -6.61201 65.476 -5.84995 5.10284 TIMING: 2091000 CPU: 6245.02, 0.00299758/step Wall: 6245.02, 0.00299758/step, 2.42221 hours remaining, 207.082031 MB of memory in use. ENERGY: 2091000 754.6822 2089.8958 1910.7703 107.4808 -206682.1774 17915.8603 0.0000 0.0000 34451.9188 -149451.5693 300.8772 -183903.4881 -149357.2421 298.7059 -0.6947 33.5119 556623.0233 6.7910 6.9345 PRESSURE: 2091200 250.061 59.7122 75.1474 59.7121 418.195 -208.582 75.1477 -208.582 21.3536 GPRESSURE: 2091200 280.549 -2.65061 36.7109 99.0849 356.187 -150.661 110.516 -155.893 142.111 PRESSAVG: 2091200 -41.405 -4.95335 34.9881 -4.95335 50.01 10.0204 34.9882 10.0204 8.9472 GPRESSAVG: 2091200 -41.2177 -5.40462 35.142 -4.14594 50.4481 12.0154 34.7729 6.89041 7.85001 TIMING: 2091200 CPU: 6245.61, 0.00298584/step Wall: 6245.61, 0.00298584/step, 2.41256 hours remaining, 207.082031 MB of memory in use. ENERGY: 2091200 719.3650 2073.1499 1932.5250 122.4799 -206744.7714 18167.9618 0.0000 0.0000 34241.7203 -149487.5695 299.0415 -183729.2898 -149388.0510 298.9915 229.8697 259.6156 556569.5129 5.8507 5.6935 PRESSURE: 2091400 -157.486 -98.1784 -20.1728 -98.179 -94.294 -72.9862 -20.1738 -72.9855 -83.6729 GPRESSURE: 2091400 -165.553 -142.178 -41.2128 -61.2423 -70.4638 82.9437 -22.9594 -149.585 -3.81394 PRESSAVG: 2091400 22.8818 31.6214 16.7174 31.6215 65.0053 -41.0526 16.7173 -41.0527 -111.923 GPRESSAVG: 2091400 22.9192 33.467 16.089 29.6026 64.7574 -44.613 15.0458 -37.6102 -110.913 TIMING: 2091400 CPU: 6246.21, 0.00299819/step Wall: 6246.21, 0.00299819/step, 2.42237 hours remaining, 207.082031 MB of memory in use. ENERGY: 2091400 753.6526 2107.4765 1929.3030 108.6490 -206039.6185 17688.8274 0.0000 0.0000 34003.1179 -149448.5921 296.9577 -183451.7099 -149357.7957 298.9607 -111.8177 -79.9437 560215.1615 -8.0119 -7.7456 PRESSURE: 2091600 -54.1191 -82.5437 -101.461 -82.5445 137.569 8.27513 -101.46 8.27529 111.738 GPRESSURE: 2091600 -6.63815 -48.7867 -143.635 -93.9639 201.512 -27.0483 -47.3531 41.2965 99.6083 PRESSAVG: 2091600 -5.12301 -26.5627 -58.8856 -26.5627 65.6827 6.03463 -58.8856 6.03469 -43.1606 GPRESSAVG: 2091600 -5.1939 -27.5774 -59.4314 -26.239 66.5843 7.30537 -58.5093 5.37354 -44.7212 TIMING: 2091600 CPU: 6246.82, 0.00304312/step Wall: 6246.82, 0.00304312/step, 2.4585 hours remaining, 207.082031 MB of memory in use. ENERGY: 2091600 784.6019 2094.4678 1922.7145 113.7181 -206918.6380 18082.6372 0.0000 0.0000 34468.6156 -149451.8828 301.0230 -183920.4984 -149363.3591 298.5464 65.0626 98.1606 556916.3243 5.7997 5.5564 PRESSURE: 2091800 206.401 -378.871 -108.155 -378.871 168.713 -73.4302 -108.154 -73.4298 37.3771 GPRESSURE: 2091800 199.961 -359.03 -121.328 -332.897 182.977 -147.458 -22.638 5.69521 112.27 PRESSAVG: 2091800 -40.0604 -30.81 -11.9377 -30.81 32.5019 5.94346 -11.9378 5.94349 16.816 GPRESSAVG: 2091800 -40.258 -29.7963 -12.8317 -30.6404 31.2742 5.26228 -11.1296 6.04407 18.333 TIMING: 2091800 CPU: 6247.43, 0.00302722/step Wall: 6247.43, 0.00302722/step, 2.44549 hours remaining, 207.082031 MB of memory in use. ENERGY: 2091800 725.0565 2080.9649 1913.9576 114.6389 -206531.3435 17979.3445 0.0000 0.0000 34148.7133 -149568.6677 298.2292 -183717.3810 -149470.0922 298.4823 137.4969 165.0694 557674.0644 3.0859 3.1164 PRESSURE: 2092000 -230.308 -65.9503 12.3074 -65.9492 13.4738 -21.3622 12.3071 -21.3635 91.6584 GPRESSURE: 2092000 -201.856 -37.4511 -11.2177 -73.9375 37.262 23.5794 94.4311 -45.2741 145.066 PRESSAVG: 2092000 -22.7084 -60.6067 -18.6721 -60.6065 11.8425 -25.2748 -18.672 -25.2748 -21.3429 GPRESSAVG: 2092000 -22.6272 -61.6243 -17.7528 -62.1288 10.9275 -24.1698 -18.9326 -26.072 -21.2367 TIMING: 2092000 CPU: 6248.03, 0.00302351/step Wall: 6248.03, 0.00302351/step, 2.44233 hours remaining, 207.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2092000 734.4837 2109.3555 1925.8149 108.3878 -206692.8834 17835.7353 0.0000 0.0000 34383.3020 -149595.8042 300.2779 -183979.1062 -149498.1995 297.6886 -41.7252 -6.5095 556143.7066 -10.7363 -10.9788 PRESSURE: 2092200 -127.705 -88.1605 121.977 -88.1606 -265.295 59.4109 121.977 59.4112 115.189 GPRESSURE: 2092200 -120.112 -6.70528 107.143 -131.859 -232.074 63.6248 121.947 61.4174 170.449 PRESSAVG: 2092200 43.0181 -20.7174 7.94836 -20.7174 -39.2171 6.26218 7.94843 6.2622 25.2135 GPRESSAVG: 2092200 43.3846 -20.4265 6.55525 -20.7718 -38.5454 4.42219 9.08978 8.4553 24.3928 TIMING: 2092200 CPU: 6248.63, 0.00298734/step Wall: 6248.63, 0.00298734/step, 2.41294 hours remaining, 207.082031 MB of memory in use. ENERGY: 2092200 773.9762 2063.6902 1922.2304 110.5415 -206376.8832 17738.4723 0.0000 0.0000 34190.0200 -149577.9525 298.5899 -183767.9725 -149487.2978 298.6732 -92.6039 -60.5792 555966.1448 9.6715 9.7440 LDB: ============= START OF LOAD BALANCING ============== 6252.18 LDB: ============== END OF LOAD BALANCING =============== 6252.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6252.18 LDB: ============= START OF LOAD BALANCING ============== 6252.48 LDB: Largest compute 4773 load 0.029802 is 25.2% of average load 0.118185 LDB: Average compute 0.001731 is 1.5% of average load 0.118185 LDB: TIME 6252.48 LOAD: AVG 0.118185 MAX 0.206403 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.801 MB LDB: TIME 6252.48 LOAD: AVG 0.118185 MAX 0.206403 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.805 MB LDB: TIME 6252.48 LOAD: AVG 0.118185 MAX 0.206403 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.805 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6252.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6252.49 PRESSURE: 2092400 332.028 -104.048 54.8748 -104.047 -37.8565 27.1561 54.8738 27.1551 32.6138 GPRESSURE: 2092400 373.317 -185.794 26.8551 -68.9375 -87.3928 125.313 119.862 -55.3829 146.903 PRESSAVG: 2092400 22.1368 -28.6845 -16.4688 -28.6845 -4.8671 -1.3296 -16.4687 -1.32964 20.7445 GPRESSAVG: 2092400 22.5445 -30.9902 -13.8918 -25.0414 -4.96327 -0.19592 -17.2122 -4.80718 20.8562 TIMING: 2092400 CPU: 6249.24, 0.00303904/step Wall: 6249.24, 0.00303904/step, 2.45453 hours remaining, 206.777344 MB of memory in use. ENERGY: 2092400 720.6217 2104.5086 1919.3965 121.6275 -206686.5475 17869.3158 0.0000 0.0000 34383.3829 -149567.6945 300.2786 -183951.0774 -149473.9833 298.6716 108.9284 144.2756 555741.0699 12.6714 12.8125 PRESSURE: 2092600 28.3509 -37.696 133.475 -37.6974 229.003 145.526 133.474 145.526 -84.3527 GPRESSURE: 2092600 5.26051 -122.651 153.764 48.2789 240.335 202.37 166.913 107.483 10.6031 PRESSAVG: 2092600 -32.0003 15.9979 60.9711 15.998 -21.9966 -26.4966 60.9712 -26.4967 29.3395 GPRESSAVG: 2092600 -31.4361 17.0444 59.3176 16.2728 -22.6083 -25.2147 59.4409 -25.0829 28.842 TIMING: 2092600 CPU: 6249.83, 0.00299301/step Wall: 6249.83, 0.00299301/step, 2.41718 hours remaining, 206.777344 MB of memory in use. ENERGY: 2092600 758.3454 2031.6504 1933.0873 110.6156 -206667.0881 17807.9788 0.0000 0.0000 34242.6657 -149782.7450 299.0497 -184025.4107 -149686.4750 298.4167 57.6671 85.3995 554909.4473 -8.2191 -8.4008 PRESSURE: 2092800 407.986 82.1934 80.7417 82.192 -121.903 35.7171 80.7428 35.7163 -306.144 GPRESSURE: 2092800 369.084 50.6457 14.1458 67.795 -30.4687 94.2613 114.318 87.4322 -255.99 PRESSAVG: 2092800 -28.8521 42.2238 -27.1006 42.2238 -33.34 -19.2748 -27.1005 -19.2747 53.4795 GPRESSAVG: 2092800 -31.2512 42.2619 -24.6432 40.1272 -31.6122 -19.473 -27.9307 -18.9573 53.8561 TIMING: 2092800 CPU: 6250.43, 0.00299505/step Wall: 6250.43, 0.00299505/step, 2.41867 hours remaining, 206.777344 MB of memory in use. ENERGY: 2092800 720.5822 2098.0207 1922.1609 116.0813 -206729.7174 17996.2545 0.0000 0.0000 34041.9407 -149834.6772 297.2967 -183876.6179 -149739.2916 298.0350 -6.6867 27.5417 557498.4557 -2.9042 -3.0024 PRESSURE: 2093000 23.6922 -3.84696 -24.5377 -3.84765 262.365 -121.887 -24.5381 -121.886 -38.4111 GPRESSURE: 2093000 44.3007 -42.8029 24.7996 -50.6218 322.905 -128.12 -41.9553 -112.002 -19.8222 PRESSAVG: 2093000 54.125 13.3719 18.7399 13.3719 16.5797 -33.9579 18.74 -33.958 -52.5129 GPRESSAVG: 2093000 54.1969 12.572 16.9304 13.2717 16.2024 -34.4708 21.1416 -33.5384 -51.8614 TIMING: 2093000 CPU: 6251.04, 0.00301085/step Wall: 6251.04, 0.00301085/step, 2.43126 hours remaining, 206.777344 MB of memory in use. ENERGY: 2093000 709.3598 2087.4363 1934.4166 97.2601 -206737.0156 17979.3999 0.0000 0.0000 34155.6446 -149773.4984 298.2897 -183929.1429 -149679.0561 297.1493 82.5488 115.7946 556627.3031 6.0639 6.1793 PRESSURE: 2093200 60.8729 172.152 -124.792 172.154 -253.533 59.4747 -124.792 59.4737 193.02 GPRESSURE: 2093200 139.164 186.458 -53.9317 200.785 -149.456 73.7207 -201.887 25.0395 110.248 PRESSAVG: 2093200 -5.00518 47.8145 -19.4298 47.8144 60.5703 -14.687 -19.4299 -14.687 6.46088 GPRESSAVG: 2093200 -5.24163 50.9782 -17.9211 47.227 62.3915 -15.7858 -20.0953 -15.7193 4.76899 TIMING: 2093200 CPU: 6251.63, 0.00298282/step Wall: 6251.63, 0.00298282/step, 2.40846 hours remaining, 206.777344 MB of memory in use. ENERGY: 2093200 714.2942 2030.6666 1935.4882 100.2022 -206607.2730 17908.8579 0.0000 0.0000 34128.5379 -149789.2261 298.0530 -183917.7640 -149691.3516 297.4776 0.1198 33.3186 556372.9305 20.6753 20.6396 PRESSURE: 2093400 -189.076 -107.607 -2.45282 -107.607 -245.394 -194.458 -2.45349 -194.459 -307.536 GPRESSURE: 2093400 -132.78 -21.5221 23.4452 -72.6308 -271.511 -260.12 72.3462 -177.677 -228.135 PRESSAVG: 2093400 -21.6761 -1.19512 7.45618 -1.19512 4.30123 24.8213 7.45625 24.8213 57.8943 GPRESSAVG: 2093400 -21.2619 -1.8365 7.00774 -1.13619 3.79549 24.1954 7.74256 26.396 57.8201 TIMING: 2093400 CPU: 6252.23, 0.00296342/step Wall: 6252.23, 0.00296342/step, 2.39263 hours remaining, 206.777344 MB of memory in use. ENERGY: 2093400 758.2824 2142.4839 1944.2528 108.9005 -206361.9197 17557.8559 0.0000 0.0000 34011.7110 -149838.4332 297.0327 -183850.1442 -149744.8968 297.2957 -247.3351 -210.8086 557871.1003 13.5065 13.4512 PRESSURE: 2093600 -239.987 37.1649 -15.9955 37.1641 -45.5341 200.341 -15.994 200.341 -57.128 GPRESSURE: 2093600 -178.906 3.90056 -42.4749 4.33227 -49.0046 189.757 -33.0304 153.522 -3.18047 PRESSAVG: 2093600 -36.5654 32.3583 46.6714 32.3583 20.0338 -30.0234 46.6714 -30.0234 3.29122 GPRESSAVG: 2093600 -36.7268 31.3225 46.1633 32.8938 18.9927 -29.552 45.7244 -33.6181 4.01253 TIMING: 2093600 CPU: 6252.81, 0.00294726/step Wall: 6252.81, 0.00294726/step, 2.37942 hours remaining, 206.777344 MB of memory in use. ENERGY: 2093600 751.8955 2041.7826 1930.7497 123.1476 -206296.2005 17670.4777 0.0000 0.0000 34030.0005 -149748.1470 297.1925 -183778.1475 -149650.8315 297.5530 -114.2163 -77.0305 558208.0051 -4.4135 -4.5738 PRESSURE: 2093800 205.362 140.567 -15.0483 140.565 -92.3722 -143.501 -15.0474 -143.5 -100.509 GPRESSURE: 2093800 252.532 102.781 22.7923 118.319 -53.9134 -82.3996 7.6955 -155.301 -104.079 PRESSAVG: 2093800 -3.11923 1.65893 -20.1109 1.65892 11.5921 -0.342539 -20.1109 -0.342632 -9.23682 GPRESSAVG: 2093800 -4.08995 1.09352 -19.9488 2.30845 13.4703 -0.257646 -19.7283 1.36539 -9.37743 TIMING: 2093800 CPU: 6253.41, 0.00297476/step Wall: 6253.41, 0.00297476/step, 2.40146 hours remaining, 206.777344 MB of memory in use. ENERGY: 2093800 766.1203 2055.0428 1920.2387 125.1044 -206378.8070 17757.9717 0.0000 0.0000 34079.1487 -149675.1806 297.6217 -183754.3292 -149580.3958 298.0681 4.1605 31.5132 556443.4327 -0.2547 0.0010 PRESSURE: 2094000 -86.2123 -246.588 64.7255 -246.588 -234.475 41.975 64.7265 41.9753 20.4045 GPRESSURE: 2094000 -134.565 -260.331 54.3907 -182.043 -151.174 5.04409 25.0916 89.2233 74.5671 PRESSAVG: 2094000 18.5031 2.64299 -4.48197 2.64291 -42.7942 21.6639 -4.48198 21.6638 51.105 GPRESSAVG: 2094000 19.2007 1.64528 -5.05361 3.43434 -43.5199 21.3605 -4.35523 20.9387 50.5417 TIMING: 2094000 CPU: 6254.01, 0.00299781/step Wall: 6254.01, 0.00299781/step, 2.4199 hours remaining, 206.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2094000 757.0950 2033.7571 1922.6006 116.5366 -206019.8586 17561.3544 0.0000 0.0000 34030.4680 -149598.0468 297.1965 -183628.5148 -149494.9797 297.9385 -100.0942 -70.3905 558057.7024 8.9380 8.7408 PRESSURE: 2094200 158.498 -5.25512 82.3088 -5.25403 51.4046 71.9692 82.3083 71.9674 20.3008 GPRESSURE: 2094200 190.491 24.763 62.3913 -75.2909 66.6996 85.8252 99.8685 73.336 71.3405 PRESSAVG: 2094200 47.4473 41.7565 -15.9339 41.7565 -73.0245 0.183975 -15.9339 0.184081 -15.236 GPRESSAVG: 2094200 46.4312 43.0154 -16.1896 41.743 -73.4014 -0.710036 -15.3264 1.33852 -13.6144 TIMING: 2094200 CPU: 6254.6, 0.00296228/step Wall: 6254.6, 0.00296228/step, 2.39105 hours remaining, 206.777344 MB of memory in use. ENERGY: 2094200 756.3135 2047.0612 1931.4497 119.1931 -206426.7402 17957.3159 0.0000 0.0000 34178.5880 -149436.8188 298.4901 -183615.4068 -149345.6950 298.5299 76.7346 109.5105 556400.3191 -13.6044 -13.5282 PRESSURE: 2094400 199.384 -152.043 131.769 -152.041 -81.3338 -54.5093 131.768 -54.5101 178.286 GPRESSURE: 2094400 279.35 -179.074 89.73 -126.663 -58.506 -52.4529 164.491 -75.3076 178.162 PRESSAVG: 2094400 1.37611 -54.5059 13.1084 -54.506 37.021 -46.5292 13.1084 -46.5291 20.0326 GPRESSAVG: 2094400 2.95647 -53.52 13.3063 -55.1212 37.3074 -44.027 13.2647 -46.3998 17.8222 TIMING: 2094400 CPU: 6255.19, 0.00295446/step Wall: 6255.19, 0.00295446/step, 2.38458 hours remaining, 206.777344 MB of memory in use. ENERGY: 2094400 752.9269 2115.9978 1937.3314 116.6961 -206653.8275 18034.1658 0.0000 0.0000 34209.0767 -149487.6329 298.7564 -183696.7096 -149401.5056 298.7329 98.7788 133.0020 556453.8170 19.4766 19.3620 PRESSURE: 2094600 -326.484 216.305 -3.88225 216.306 -433.555 69.9533 -3.88252 69.9536 -185.776 GPRESSURE: 2094600 -277.492 280.162 -23.7123 180.153 -358.428 -5.49143 -7.0147 50.535 -212.931 PRESSAVG: 2094600 -70.6812 13.9537 -41.6642 13.9538 50.8734 -6.03198 -41.6642 -6.03203 0.518201 GPRESSAVG: 2094600 -70.2561 14.7885 -42.4939 12.4681 49.8978 -5.38893 -42.1988 -7.14368 0.712524 TIMING: 2094600 CPU: 6255.79, 0.0029905/step Wall: 6255.79, 0.0029905/step, 2.4135 hours remaining, 206.777344 MB of memory in use. ENERGY: 2094600 745.2437 2075.3435 1920.8494 100.6402 -205531.8134 17201.8016 0.0000 0.0000 34016.7634 -149471.1714 297.0769 -183487.9349 -149373.3891 298.7040 -315.2717 -282.9505 557263.8623 -6.4299 -6.5486 PRESSURE: 2094800 -122.391 -33.5658 3.62305 -33.5659 74.1493 239.97 3.62226 239.969 299.698 GPRESSURE: 2094800 -39.1347 -93.4081 -41.6759 -58.5004 114.878 176.917 26.1085 197.348 267.695 PRESSAVG: 2094800 41.8175 -25.251 -18.6077 -25.2509 -6.96611 -38.7378 -18.6078 -38.7378 -16.7847 GPRESSAVG: 2094800 41.4413 -26.5783 -16.6882 -25.3189 -8.39618 -38.8009 -19.4103 -38.7762 -15.5783 TIMING: 2094800 CPU: 6256.39, 0.00300749/step Wall: 6256.39, 0.00300749/step, 2.42705 hours remaining, 206.777344 MB of memory in use. ENERGY: 2094800 754.1100 2128.2496 1901.0817 112.2196 -206428.8944 17785.7577 0.0000 0.0000 34225.0516 -149522.4243 298.8959 -183747.4758 -149428.8201 298.1862 83.8189 114.4795 555882.8415 6.0222 5.8223 PRESSURE: 2095000 -132.34 124.794 35.9106 124.795 47.2405 -61.1654 35.9104 -61.1639 289.254 GPRESSURE: 2095000 -74.6761 178.815 123.51 61.2646 76.9643 -40.1566 -117.391 -74.0026 288.694 PRESSAVG: 2095000 -17.3925 12.3368 -1.18457 12.3368 -17.9485 -29.8185 -1.18466 -29.8185 49.5586 GPRESSAVG: 2095000 -16.908 13.4438 -3.83071 11.4587 -16.5942 -30.1122 -0.543779 -29.5162 47.803 TIMING: 2095000 CPU: 6256.99, 0.00299164/step Wall: 6256.99, 0.00299164/step, 2.41409 hours remaining, 206.777344 MB of memory in use. ENERGY: 2095000 736.2243 2116.1713 1917.8455 123.2705 -206529.2806 17956.9015 0.0000 0.0000 34123.6105 -149555.2571 298.0100 -183678.8675 -149461.5382 297.4963 68.0515 96.9941 556822.5881 4.7392 4.7669 PRESSURE: 2095200 105.296 -79.5372 -3.86807 -79.5361 8.40678 72.6078 -3.86775 72.6092 -20.0462 GPRESSURE: 2095200 155.83 -87.3454 -37.1635 -68.0086 -29.4502 151.333 -35.7636 69.6309 61.0108 PRESSAVG: 2095200 -2.29071 62.0025 -59.2187 62.0025 -31.0102 10.659 -59.2187 10.6589 71.8711 GPRESSAVG: 2095200 -1.57023 59.8536 -58.3271 63.5728 -32.2134 11.3945 -60.3212 9.57548 71.6349 TIMING: 2095200 CPU: 6257.59, 0.00298551/step Wall: 6257.59, 0.00298551/step, 2.40897 hours remaining, 206.777344 MB of memory in use. ENERGY: 2095200 761.9617 2108.6186 1959.7044 115.5100 -206409.8765 17964.1401 0.0000 0.0000 34066.8052 -149433.1364 297.5139 -183499.9417 -149341.2857 297.9119 31.2188 62.4635 557645.4177 12.8567 12.6171 PRESSURE: 2095400 5.28029 10.894 9.52187 10.8925 58.3935 65.5364 9.52249 65.5339 -231.578 GPRESSURE: 2095400 39.8379 73.889 106.547 -35.6644 111.263 67.789 -68.8421 73.9648 -223.424 PRESSAVG: 2095400 -23.0644 -19.3494 -20.0406 -19.3493 29.087 1.22933 -20.0405 1.22952 -31.1621 GPRESSAVG: 2095400 -23.684 -17.187 -19.9269 -19.7287 29.4492 0.193369 -19.8912 3.2337 -30.9275 TIMING: 2095400 CPU: 6258.19, 0.00301049/step Wall: 6258.19, 0.00301049/step, 2.42896 hours remaining, 206.777344 MB of memory in use. ENERGY: 2095400 707.7099 2051.8037 1918.5662 115.4528 -206137.0891 17840.5224 0.0000 0.0000 34165.4609 -149337.5732 298.3755 -183503.0342 -149240.8533 299.0364 -55.9680 -24.1077 558040.7181 -8.3798 -8.3874 PRESSURE: 2095600 -8.90232 31.59 10.7998 31.5892 191.326 -166.522 10.8006 -166.522 -91.6965 GPRESSURE: 2095600 -32.6898 -8.90172 -3.41683 134.587 206.869 -190.156 -30.356 -120.405 13.39 PRESSAVG: 2095600 -14.6068 -7.49518 6.25811 -7.49528 34.355 -28.2555 6.25808 -28.2554 -39.7683 GPRESSAVG: 2095600 -14.1526 -9.11851 7.77798 -7.51085 34.8542 -27.6552 4.56489 -30.9968 -40.348 TIMING: 2095600 CPU: 6258.79, 0.0029955/step Wall: 6258.79, 0.0029955/step, 2.4167 hours remaining, 206.777344 MB of memory in use. ENERGY: 2095600 731.4362 2036.2782 1933.9693 100.1446 -206093.2269 17786.2272 0.0000 0.0000 34264.0587 -149241.1126 299.2365 -183505.1713 -149151.1172 298.2229 30.2423 62.5230 558112.4741 -6.6734 -6.5488 PRESSURE: 2095800 -143.561 -9.74051 -109.342 -9.74075 206.748 111.07 -109.341 111.068 59.618 GPRESSURE: 2095800 -129.919 -32.7465 -50.3692 -0.915958 204.884 39.9064 -32.4469 195.783 142.572 PRESSAVG: 2095800 11.4385 -24.2189 -30.7998 -24.2189 19.7342 27.0306 -30.7998 27.0306 -20.6356 GPRESSAVG: 2095800 10.9832 -23.4327 -31.6429 -24.0474 20.3367 25.8362 -30.303 29.0473 -20.8568 TIMING: 2095800 CPU: 6259.39, 0.00299279/step Wall: 6259.39, 0.00299279/step, 2.41435 hours remaining, 206.777344 MB of memory in use. ENERGY: 2095800 748.6204 2140.1199 1966.6348 116.5859 -205905.0441 17838.5628 0.0000 0.0000 34136.6235 -148957.8969 298.1236 -183094.5204 -148867.4060 299.4429 40.9351 72.5125 558377.3331 3.5124 3.4877 PRESSURE: 2096000 -219.468 -83.1959 104.17 -83.196 -10.9385 -153.256 104.171 -153.257 119.06 GPRESSURE: 2096000 -106.857 -50.3955 191.881 -89.0924 -26.5315 -144.145 140.712 -115.361 117.716 PRESSAVG: 2096000 61.5237 8.96353 -16.4089 8.96363 4.13897 -55.6567 -16.4088 -55.6569 -61.7261 GPRESSAVG: 2096000 61.4287 7.33614 -16.019 9.70287 3.36513 -55.9839 -16.0687 -56.9247 -60.5024 TIMING: 2096000 CPU: 6259.98, 0.00298743/step Wall: 6259.98, 0.00298743/step, 2.40986 hours remaining, 206.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2096000 707.2969 2097.9416 1937.5299 114.4115 -206037.4669 17718.6344 0.0000 0.0000 34441.6786 -149019.9740 300.7877 -183461.6526 -148917.0551 299.7058 -37.1154 -5.2240 559370.0913 1.3122 1.4305 PRESSURE: 2096200 -127.952 72.4984 -27.6041 72.499 38.8969 41.3399 -27.6056 41.3396 128.211 GPRESSURE: 2096200 -95.9726 82.6188 -116.225 46.6916 56.8618 56.7209 19.2247 37.0799 187.472 PRESSAVG: 2096200 -2.7355 -17.0847 -42.3357 -17.0846 35.921 -5.98883 -42.3357 -5.98872 -8.24179 GPRESSAVG: 2096200 -1.89848 -15.4205 -44.2822 -17.4831 35.5677 -6.00309 -42.6607 -5.80398 -8.21449 TIMING: 2096200 CPU: 6260.58, 0.00298598/step Wall: 6260.58, 0.00298598/step, 2.40852 hours remaining, 206.777344 MB of memory in use. ENERGY: 2096200 701.0531 2082.8383 1949.3409 105.5758 -205715.8494 17679.6790 0.0000 0.0000 34288.1437 -148909.2187 299.4469 -183197.3624 -148816.1193 299.7465 13.0521 49.4539 557388.7214 8.3146 8.4849 LDB: ============= START OF LOAD BALANCING ============== 6264.13 LDB: ============== END OF LOAD BALANCING =============== 6264.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6264.13 LDB: ============= START OF LOAD BALANCING ============== 6264.44 LDB: Largest compute 4773 load 0.029630 is 25.1% of average load 0.118139 LDB: Average compute 0.001737 is 1.5% of average load 0.118139 LDB: TIME 6264.44 LOAD: AVG 0.118139 MAX 0.205568 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.996 MB LDB: TIME 6264.44 LOAD: AVG 0.118139 MAX 0.205568 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.195 MB LDB: TIME 6264.44 LOAD: AVG 0.118139 MAX 0.205568 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.195 MB LDB: ============== END OF LOAD BALANCING =============== 6264.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6264.44 PRESSURE: 2096400 52.993 33.7842 -12.6646 33.7823 207.913 142.005 -12.6639 142.006 -43.9837 GPRESSURE: 2096400 56.8659 -7.28407 -27.9841 30.0134 196.582 143.143 7.71146 128.016 49.0825 PRESSAVG: 2096400 23.1471 -17.6841 -11.4234 -17.684 -9.17467 12.6957 -11.4235 12.6957 5.74833 GPRESSAVG: 2096400 22.9499 -16.3801 -9.11216 -19.1324 -9.31736 15.0736 -11.2504 12.5235 5.90213 TIMING: 2096400 CPU: 6261.2, 0.00306626/step Wall: 6261.2, 0.00306626/step, 2.47311 hours remaining, 206.000000 MB of memory in use. ENERGY: 2096400 712.6321 2072.0219 1948.7066 110.6854 -205527.1281 17659.6293 0.0000 0.0000 34347.6506 -148675.8022 299.9666 -183023.4528 -148587.6845 299.9258 72.3075 100.8436 557886.8777 6.5736 6.5116 PRESSURE: 2096600 -36.7659 -46.7113 -121.741 -46.7121 91.0283 -68.3447 -121.743 -68.3445 6.16132 GPRESSURE: 2096600 -14.395 -113.766 -41.2464 90.6744 111.58 -59.996 -89.9145 -21.8215 54.4211 PRESSAVG: 2096600 -2.77055 -42.1196 68.1832 -42.1196 8.9745 17.1886 68.1833 17.1886 -3.54483 GPRESSAVG: 2096600 -3.06809 -44.3662 68.2125 -39.5722 8.57164 16.2245 69.9422 17.7761 -2.72255 TIMING: 2096600 CPU: 6261.79, 0.00298681/step Wall: 6261.79, 0.00298681/step, 2.40886 hours remaining, 206.000000 MB of memory in use. ENERGY: 2096600 778.1131 2065.5448 1932.7957 106.6708 -205850.3536 17793.3515 0.0000 0.0000 34376.1353 -148797.7424 300.2153 -183173.8777 -148701.5955 300.2947 20.1412 50.5352 556368.1366 0.8864 0.9270 PRESSURE: 2096800 227.582 33.1229 207.367 33.1224 132.332 -48.6647 207.368 -48.6657 154.719 GPRESSURE: 2096800 193.67 33.827 139.668 15.5131 218.765 -117.317 209.886 -40.4389 197.409 PRESSAVG: 2096800 10.3807 20.4688 -43.881 20.4688 -7.09566 -0.918045 -43.8811 -0.917944 13.7443 GPRESSAVG: 2096800 10.3101 20.9053 -44.2958 18.847 -6.18048 -1.14392 -45.056 0.356042 13.0135 TIMING: 2096800 CPU: 6262.4, 0.00303314/step Wall: 6262.4, 0.00303314/step, 2.44606 hours remaining, 206.000000 MB of memory in use. ENERGY: 2096800 744.3179 2069.4561 1920.8532 107.1105 -206238.3227 18021.2615 0.0000 0.0000 34421.1334 -148954.1901 300.6083 -183375.3234 -148859.8327 300.3224 171.5444 203.2814 555696.1615 5.6764 5.7144 PRESSURE: 2097000 -18.4201 75.2147 18.7664 75.2146 -13.0854 86.814 18.7664 86.8147 83.2873 GPRESSURE: 2097000 32.826 96.8191 109.661 13.5612 15.0402 86.9854 -93.1104 14.8179 94.8163 PRESSAVG: 2097000 34.7254 11.7125 54.454 11.7124 -23.6641 73.8244 54.454 73.8242 23.7888 GPRESSAVG: 2097000 35.2915 14.4811 55.3507 10.2637 -23.752 73.3786 53.08 72.6406 23.6747 TIMING: 2097000 CPU: 6263, 0.00302263/step Wall: 6263, 0.00302263/step, 2.43741 hours remaining, 206.000000 MB of memory in use. ENERGY: 2097000 692.2436 2032.2531 1949.6888 104.9634 -205980.0573 17689.0865 0.0000 0.0000 34437.2367 -149074.5851 300.7490 -183511.8219 -148983.0942 299.2737 17.2606 47.5608 556819.0290 11.6167 11.7381 PRESSURE: 2097200 -151.153 1.129 179.918 1.12821 38.6636 -127.331 179.919 -127.332 61.6002 GPRESSURE: 2097200 -72.2475 -58.4766 187.053 58.0672 54.2165 -182.132 176.313 -24.6585 69.365 PRESSAVG: 2097200 30.5728 3.83572 5.76762 3.83572 -18.8999 36.5217 5.76768 36.5219 33.957 GPRESSAVG: 2097200 30.9272 3.9626 6.23407 5.00031 -19.8045 35.61 5.74141 37.4034 34.1754 TIMING: 2097200 CPU: 6263.61, 0.00300975/step Wall: 6263.61, 0.00300975/step, 2.42686 hours remaining, 206.000000 MB of memory in use. ENERGY: 2097200 764.8050 2035.7873 1953.5341 103.1058 -206201.9010 18038.6100 0.0000 0.0000 34329.5042 -148976.5547 299.8081 -183306.0589 -148883.0060 299.5780 -16.9630 17.1113 557802.8022 15.2100 15.0994 PRESSURE: 2097400 -120.955 -119.137 -51.1159 -119.137 -268.477 -203.055 -51.117 -203.055 -64.9381 GPRESSURE: 2097400 -76.6149 -59.9649 -94.7652 -134.36 -209.64 -160.918 58.249 -194.021 -80.0957 PRESSAVG: 2097400 -5.8524 -45.4171 -39.1972 -45.4172 -18.0785 23.0201 -39.1972 23.0202 87.7676 GPRESSAVG: 2097400 -5.77262 -47.368 -38.4789 -43.2375 -17.7544 23.9318 -38.1435 22.6293 87.3626 TIMING: 2097400 CPU: 6264.21, 0.00300232/step Wall: 6264.21, 0.00300232/step, 2.4207 hours remaining, 206.000000 MB of memory in use. ENERGY: 2097400 710.8810 2049.4205 1920.7642 108.5479 -205555.5290 17478.5877 0.0000 0.0000 34471.3423 -148815.9855 301.0468 -183287.3278 -148709.2499 300.0865 -151.4567 -122.1169 560365.5113 21.2789 21.2785 PRESSURE: 2097600 167.258 160.791 -71.7731 160.791 184.013 -11.6703 -71.7742 -11.6706 189.496 GPRESSURE: 2097600 202.08 114.533 -34.0293 101.064 218.387 -32.5669 -54.8846 -20.3042 215.925 PRESSAVG: 2097600 2.94646 -11.0381 8.96624 -11.0381 9.32617 23.4604 8.9662 23.4604 12.2225 GPRESSAVG: 2097600 2.04078 -10.3845 8.47107 -12.3515 10.3124 21.8193 9.33091 25.9246 12.0834 TIMING: 2097600 CPU: 6264.8, 0.00298839/step Wall: 6264.8, 0.00298839/step, 2.40931 hours remaining, 206.000000 MB of memory in use. ENERGY: 2097600 723.9722 2092.6754 1942.3190 107.7079 -206480.2119 18100.4345 0.0000 0.0000 34331.3480 -149181.7548 299.8242 -183513.1029 -149090.7463 300.0052 180.2558 212.1306 556822.6330 8.1650 8.1455 PRESSURE: 2097800 -213.852 95.4903 -112.148 95.4894 -222.144 -40.6648 -112.148 -40.6644 72.9657 GPRESSURE: 2097800 -198.901 63.5086 -121.086 110.89 -214.572 -22.5485 -164.816 -77.7488 132.492 PRESSAVG: 2097800 3.35711 40.1665 -12.0002 40.1666 -27.3117 -36.0994 -12.0003 -36.0993 -13.7755 GPRESSAVG: 2097800 4.30184 39.7602 -15.0063 40.4817 -28.5712 -34.1141 -9.794 -38.763 -13.8106 TIMING: 2097800 CPU: 6265.4, 0.00298958/step Wall: 6265.4, 0.00298958/step, 2.4101 hours remaining, 206.000000 MB of memory in use. ENERGY: 2097800 725.1331 2088.2299 1931.8082 113.2877 -206054.3810 17752.1224 0.0000 0.0000 34145.0092 -149298.7904 298.1969 -183443.7996 -149205.9287 298.8262 -121.0101 -93.6604 558342.4359 -12.5767 -12.6933 PRESSURE: 2098000 310.903 62.4317 37.0061 62.4312 108.69 68.79 37.0084 68.7893 145.686 GPRESSURE: 2098000 263.851 86.7459 6.34504 34.932 180.13 179.115 -46.6449 35.6024 216.087 PRESSAVG: 2098000 6.92143 -16.6248 35.6609 -16.6248 1.36055 2.17343 35.6609 2.17343 16.3428 GPRESSAVG: 2098000 6.7327 -17.3818 37.8966 -15.6825 -0.174622 3.29811 33.5691 2.14553 17.5301 TIMING: 2098000 CPU: 6266, 0.00301092/step Wall: 6266, 0.00301092/step, 2.42714 hours remaining, 206.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2098000 757.4149 2157.8055 1919.6991 111.8889 -206585.2489 18151.8614 0.0000 0.0000 34343.5723 -149143.0068 299.9310 -183486.5791 -149052.9831 299.2256 188.4262 220.0228 557438.1230 8.2083 8.0294 PRESSURE: 2098200 -84.0605 147.214 -55.2922 147.214 -71.9524 -48.192 -55.2915 -48.1931 -266.188 GPRESSURE: 2098200 -84.9011 207.273 -100.445 43.2501 -28.7002 50.25 -13.7083 -22.1864 -208.684 PRESSAVG: 2098200 -2.12103 3.36063 -39.7556 3.36056 30.8251 47.8607 -39.7557 47.8606 18.4678 GPRESSAVG: 2098200 -2.48227 5.97677 -41.4163 0.234775 31.9669 46.3945 -37.6915 48.9575 17.6859 TIMING: 2098200 CPU: 6266.6, 0.00300529/step Wall: 6266.6, 0.00300529/step, 2.42243 hours remaining, 206.000000 MB of memory in use. ENERGY: 2098200 747.1220 2053.6308 1949.6005 110.4318 -205939.7511 17443.1186 0.0000 0.0000 34448.9000 -149186.9475 300.8508 -183635.8475 -149091.4717 298.9181 -140.7335 -107.4283 557611.5191 15.7240 15.7235 PRESSURE: 2098400 -123.233 -46.9147 25.3883 -46.9142 -273.141 -7.6206 25.3881 -7.62199 -77.9098 GPRESSURE: 2098400 -44.412 101.086 13.2805 -84.5062 -284.678 -68.1455 2.84879 14.3056 -47.2269 PRESSAVG: 2098400 8.95158 11.8533 -19.9163 11.8533 -48.9202 44.79 -19.9163 44.79 67.4895 GPRESSAVG: 2098400 8.63242 10.0597 -17.2581 14.7916 -47.5583 43.5798 -22.5641 44.8586 66.6038 TIMING: 2098400 CPU: 6267.2, 0.00299562/step Wall: 6267.2, 0.00299562/step, 2.41447 hours remaining, 206.000000 MB of memory in use. ENERGY: 2098400 732.5462 2086.8567 1932.5970 111.7875 -206136.0475 17562.9938 0.0000 0.0000 34500.2672 -149208.9991 301.2994 -183709.2663 -149113.1057 299.2112 -158.0947 -125.4390 557937.6659 9.1736 9.2260 PRESSURE: 2098600 -192.084 -62.3468 -16.5712 -62.3458 -19.3062 -114.562 -16.5706 -114.562 -182.372 GPRESSURE: 2098600 -280.91 -89.6141 -46.3911 -105.225 51.7175 -112.639 39.444 -91.0534 -69.6351 PRESSAVG: 2098600 26.3904 0.546392 1.67644 0.546481 -7.5424 58.4479 1.67644 58.4479 -7.26862 GPRESSAVG: 2098600 26.0574 0.543644 2.19744 0.160957 -8.10535 58.6696 3.40769 58.3541 -7.02418 TIMING: 2098600 CPU: 6267.81, 0.00300604/step Wall: 6267.81, 0.00300604/step, 2.4227 hours remaining, 206.000000 MB of memory in use. ENERGY: 2098600 717.8300 2126.5366 1944.0043 115.0789 -206083.3799 17601.8889 0.0000 0.0000 34240.1338 -149337.9074 299.0276 -183578.0413 -149226.4016 298.9800 -131.2544 -99.6092 557214.5600 3.8598 3.6426 PRESSURE: 2098800 -9.47661 -40.5825 67.4314 -40.5816 139.546 101.424 67.433 101.424 394.795 GPRESSURE: 2098800 62.3108 -70.6707 35.1169 -99.684 181.111 193.874 106.793 13.4647 388.515 PRESSAVG: 2098800 -84.6113 -27.1664 -8.45297 -27.1663 77.5888 4.75893 -8.45293 4.75891 21.7424 GPRESSAVG: 2098800 -84.7411 -25.9936 -8.51028 -27.8233 78.28 6.99513 -8.59753 3.55717 21.0635 TIMING: 2098800 CPU: 6268.4, 0.00299856/step Wall: 6268.4, 0.00299856/step, 2.41651 hours remaining, 206.000000 MB of memory in use. ENERGY: 2098800 689.0471 2058.8892 1935.6935 117.1273 -206236.6708 17956.2908 0.0000 0.0000 34170.1325 -149309.4904 298.4163 -183479.6228 -149212.7797 299.0510 174.9545 210.6456 556962.4057 4.9066 4.8675 PRESSURE: 2099000 -248.644 -137.262 -36.7791 -137.262 -82.3344 -102.969 -36.7792 -102.968 109.925 GPRESSURE: 2099000 -165.268 -156.137 -27.3336 -120.946 -45.7711 -138.805 25.3501 -177.037 96.5287 PRESSAVG: 2099000 -53.4201 12.6424 -8.52886 12.6424 23.2658 -24.3006 -8.52885 -24.3005 41.2608 GPRESSAVG: 2099000 -52.9617 10.9393 -12.5796 14.3401 23.7448 -24.2028 -6.93513 -26.3837 41.202 TIMING: 2099000 CPU: 6269.01, 0.00303429/step Wall: 6269.01, 0.00303429/step, 2.44513 hours remaining, 206.000000 MB of memory in use. ENERGY: 2099000 748.6844 2080.9335 1945.4209 115.8753 -206154.3356 17677.7734 0.0000 0.0000 34414.7820 -149170.8662 300.5529 -183585.6481 -149067.3239 299.6296 -73.6846 -38.1701 557749.5427 3.7022 3.9950 PRESSURE: 2099200 -306.216 -200.419 102.209 -200.42 -211.085 -47.5109 102.208 -47.5109 -253.395 GPRESSURE: 2099200 -251.367 -221.452 -33.5057 -110.801 -160.491 -43.6704 105.577 -47.5237 -256.158 PRESSAVG: 2099200 -28.4257 -21.3923 40.4579 -21.3922 10.5157 -3.59497 40.4579 -3.59488 -22.0838 GPRESSAVG: 2099200 -28.951 -21.4192 42.6165 -23.3927 9.60409 -4.35024 37.2425 -0.727233 -21.0972 TIMING: 2099200 CPU: 6269.61, 0.00300015/step Wall: 6269.61, 0.00300015/step, 2.41746 hours remaining, 206.000000 MB of memory in use. ENERGY: 2099200 761.8747 2021.5067 1928.6056 108.7018 -205809.1914 17366.1504 0.0000 0.0000 34287.8900 -149334.4623 299.4447 -183622.3522 -149236.8413 299.0016 -256.8987 -222.6720 557631.3499 -13.3313 -13.4814 PRESSURE: 2099400 -302.233 141.772 123.747 141.772 -150.552 -83.0146 123.746 -83.0147 -62.591 GPRESSURE: 2099400 -296.145 55.2459 139.862 278.106 -91.9808 -51.1935 130.341 -69.7493 -31.939 PRESSAVG: 2099400 -39.8669 17.4244 -3.17773 17.4244 7.45695 -7.35465 -3.17777 -7.3547 29.2384 GPRESSAVG: 2099400 -40.8274 17.2043 -4.21899 20.6545 8.19768 -8.75013 -1.43372 -6.6365 29.5989 TIMING: 2099400 CPU: 6270.21, 0.00299634/step Wall: 6270.21, 0.00299634/step, 2.41421 hours remaining, 206.000000 MB of memory in use. ENERGY: 2099400 750.1021 2099.2489 1913.5371 123.5310 -206077.0758 17580.0269 0.0000 0.0000 34188.6629 -149421.9669 298.5781 -183610.6298 -149319.9376 298.6864 -171.7921 -140.0216 558992.8730 -1.0572 -1.0103 PRESSURE: 2099600 159.801 -31.1488 5.82043 -31.1491 -38.3603 -13.8352 5.82069 -13.8344 -210.494 GPRESSURE: 2099600 129.682 -18.1552 60.8928 36.4713 -14.6967 -58.1818 -6.30958 -31.3927 -104.486 PRESSAVG: 2099600 2.45671 7.26949 58.6907 7.26929 38.0146 -30.3477 58.6907 -30.3477 -7.53187 GPRESSAVG: 2099600 3.53269 8.57403 59.7297 5.3493 37.2261 -30.9629 58.6834 -30.4543 -8.48478 TIMING: 2099600 CPU: 6270.81, 0.00297799/step Wall: 6270.81, 0.00297799/step, 2.39926 hours remaining, 206.000000 MB of memory in use. ENERGY: 2099600 696.6693 2094.8358 1938.9899 120.4807 -205967.8679 17714.5284 0.0000 0.0000 34097.0714 -149305.2924 297.7782 -183402.3637 -149204.3206 298.7171 -29.6845 3.4997 557834.0579 10.9798 10.7580 PRESSURE: 2099800 -259.69 -10.3968 -41.3756 -10.3969 165.64 64.1931 -41.3751 64.1925 194.781 GPRESSURE: 2099800 -169.167 18.0953 -6.95941 -72.4306 167.331 94.5915 -59.6412 54.2561 202.408 PRESSAVG: 2099800 31.651 19.5042 9.0567 19.5042 -84.237 0.313422 9.05672 0.31353 -5.80266 GPRESSAVG: 2099800 31.9302 18.4453 9.31258 20.3196 -84.8731 1.16049 6.40696 -0.271929 -5.59178 TIMING: 2099800 CPU: 6271.4, 0.00298738/step Wall: 6271.4, 0.00298738/step, 2.40666 hours remaining, 206.000000 MB of memory in use. ENERGY: 2099800 776.4221 2086.2679 1928.3382 99.1069 -206142.7146 17896.6529 0.0000 0.0000 34049.2555 -149306.6709 297.3606 -183355.9265 -149213.2899 298.9510 33.5770 66.8570 557004.7398 -19.4629 -19.5116 PRESSURE: 2100000 -22.0821 101.64 158.781 101.64 -110.001 -110.144 158.78 -110.145 -113.483 GPRESSURE: 2100000 72.6738 204.387 200.846 157.537 -88.505 -181.544 99.9195 27.328 -147.384 PRESSAVG: 2100000 77.6738 -1.88675 32.2224 -1.88674 -52.8563 -12.5732 32.2224 -12.5734 -36.5337 GPRESSAVG: 2100000 78.4127 -1.45973 31.5257 -2.25554 -52.9737 -13.3977 32.4184 -10.3948 -37.3555 TIMING: 2100000 CPU: 6272.01, 0.00300695/step Wall: 6272.01, 0.00300695/step, 2.42226 hours remaining, 206.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2100000 773.5203 2073.2571 1897.4696 110.9582 -206451.9623 17930.2409 0.0000 0.0000 34513.1681 -149153.3479 301.4121 -183666.5160 -149057.2662 299.7379 -81.8551 -54.4050 557384.2335 -3.9054 -3.9722 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2100000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 2100000 WRITING COORDINATES TO RESTART FILE AT STEP 2100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2100200 280.17 -47.5985 86.6887 -47.5989 -201.439 -99.4287 86.688 -99.4282 -100.793 GPRESSURE: 2100200 340.225 5.92712 41.1906 -125.603 -190.161 -121.061 64.4393 -89.2569 -75.154 PRESSAVG: 2100200 84.7833 32.5476 43.256 32.5477 -38.2028 -22.7278 43.2561 -22.7278 6.793 GPRESSAVG: 2100200 83.8233 33.8381 42.4629 29.4508 -38.4507 -19.9082 44.949 -24.0016 7.75174 TIMING: 2100200 CPU: 6272.62, 0.00305484/step Wall: 6272.62, 0.00305484/step, 2.46068 hours remaining, 206.000000 MB of memory in use. ENERGY: 2100200 755.2228 2135.8740 1910.7830 93.5344 -206291.0742 17851.6338 0.0000 0.0000 34440.7724 -149103.2539 300.7798 -183544.0262 -149003.9745 299.8478 -7.3541 24.9699 556225.9479 17.7912 17.7081 LDB: ============= START OF LOAD BALANCING ============== 6276.16 LDB: ============== END OF LOAD BALANCING =============== 6276.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6276.17 LDB: ============= START OF LOAD BALANCING ============== 6276.46 LDB: Largest compute 4773 load 0.028902 is 24.5% of average load 0.118154 LDB: Average compute 0.001738 is 1.5% of average load 0.118154 LDB: TIME 6276.47 LOAD: AVG 0.118154 MAX 0.204225 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 6276.47 LOAD: AVG 0.118154 MAX 0.204225 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.289 MB LDB: TIME 6276.47 LOAD: AVG 0.118154 MAX 0.204225 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.289 MB LDB: ============== END OF LOAD BALANCING =============== 6276.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6276.47 PRESSURE: 2100400 -27.4468 -24.8673 128.721 -24.8666 215.837 -78.4715 128.72 -78.4696 -281.524 GPRESSURE: 2100400 -33.4541 -33.8527 243.778 4.1877 293.702 -135.312 13.8125 -30.2667 -263.075 PRESSAVG: 2100400 27.7728 23.9505 -47.4938 23.9504 40.3741 -37.9213 -47.494 -37.9213 2.15492 GPRESSAVG: 2100400 27.2693 23.0659 -48.6439 25.6392 41.2284 -38.3272 -45.7708 -37.8499 1.5916 TIMING: 2100400 CPU: 6273.22, 0.00303152/step Wall: 6273.22, 0.00303152/step, 2.44172 hours remaining, 206.714844 MB of memory in use. ENERGY: 2100400 754.0268 2074.0025 1943.9297 108.6110 -206162.5208 17846.3912 0.0000 0.0000 34433.8241 -149001.7357 300.7191 -183435.5597 -148896.8152 300.2693 -31.0445 -0.9425 556578.8913 23.4339 23.3631 PRESSURE: 2100600 -202.461 2.56936 55.5471 2.57027 42.4299 19.4356 55.5482 19.4361 71.2438 GPRESSURE: 2100600 -204.987 68.5744 6.11115 -13.3998 136.806 21.8377 93.7991 68.6126 89.5172 PRESSAVG: 2100600 19.8433 -75.9747 22.7637 -75.9747 -43.7101 -44.2427 22.7635 -44.2428 4.21192 GPRESSAVG: 2100600 18.7309 -74.7861 25.494 -74.9361 -42.6747 -43.6266 22.6105 -46.2115 4.87617 TIMING: 2100600 CPU: 6273.82, 0.00296298/step Wall: 6273.82, 0.00296298/step, 2.38635 hours remaining, 206.714844 MB of memory in use. ENERGY: 2100600 808.7727 2063.2847 1952.7255 125.7507 -206084.4204 17866.7579 0.0000 0.0000 34416.4454 -148850.6836 300.5674 -183267.1290 -148761.7136 300.5766 -29.5959 7.1124 558183.5570 -6.5516 -6.3559 PRESSURE: 2100800 177.506 2.29709 46.2704 2.29664 137.968 -33.2283 46.272 -33.2277 4.05958 GPRESSURE: 2100800 224.971 -43.4947 81.6001 58.9714 152.913 -66.5899 -36.5405 34.0206 38.6609 PRESSAVG: 2100800 36.1399 12.7881 26.7629 12.7881 -19.4237 13.2014 26.7629 13.2013 -24.3081 GPRESSAVG: 2100800 36.6494 12.5133 27.8861 10.9552 -19.3266 11.1782 24.713 14.3018 -24.334 TIMING: 2100800 CPU: 6274.41, 0.00296796/step Wall: 6274.41, 0.00296796/step, 2.3902 hours remaining, 206.714844 MB of memory in use. ENERGY: 2100800 768.5670 2080.6198 1923.3956 108.7832 -206102.8741 18013.9900 0.0000 0.0000 34288.6708 -148918.8477 299.4515 -183207.5185 -148821.2196 300.9962 106.5112 138.8483 558367.8560 -2.5306 -2.3371 PRESSURE: 2101000 -70.3589 -0.427049 119.791 -0.426974 -67.0785 60.2694 119.791 60.2686 -145.241 GPRESSURE: 2101000 -7.85332 -21.1623 187.593 -56.5939 -87.7429 54.2582 37.6426 33.1411 -83.4448 PRESSAVG: 2101000 55.6543 5.21127 2.69696 5.21126 -15.2125 36.869 2.69689 36.8691 -58.1457 GPRESSAVG: 2101000 56.9932 7.32947 1.4958 5.40281 -17.0108 35.7074 1.75843 36.1156 -57.7185 TIMING: 2101000 CPU: 6275.01, 0.00300304/step Wall: 6275.01, 0.00300304/step, 2.41828 hours remaining, 206.714844 MB of memory in use. ENERGY: 2101000 744.5500 2136.6716 1946.4023 121.7597 -205782.8186 17562.4575 0.0000 0.0000 34285.0597 -148985.9179 299.4200 -183270.9775 -148897.8789 300.4895 -94.2261 -59.6804 557241.2989 -5.9013 -5.9120 PRESSURE: 2101200 -213.48 79.5562 -78.8307 79.5572 -422.619 212.231 -78.8291 212.23 49.7563 GPRESSURE: 2101200 -162.115 131.19 -13.6361 -9.39434 -373.66 224.08 -69.6146 187.003 48.6256 PRESSAVG: 2101200 -22.8936 17.7737 50.2164 17.7737 25.9793 8.19579 50.2165 8.19576 -21.3141 GPRESSAVG: 2101200 -24.2696 16.6698 51.0679 18.8537 27.0172 10.4751 49.2503 8.0645 -21.0658 TIMING: 2101200 CPU: 6275.61, 0.00299334/step Wall: 6275.61, 0.00299334/step, 2.4103 hours remaining, 206.714844 MB of memory in use. ENERGY: 2101200 791.3345 2057.7024 1929.4852 106.2506 -205934.3361 17700.7166 0.0000 0.0000 34344.8576 -149003.9893 299.9422 -183348.8469 -148905.8647 299.5317 -195.4475 -162.3830 558848.0258 -6.0761 -6.1061 PRESSURE: 2101400 56.4426 -48.9273 95.4072 -48.9264 83.7686 52.2197 95.4063 52.2206 -226.319 GPRESSURE: 2101400 24.3043 -53.5835 30.9906 12.5819 125.592 74.0899 148.009 123.212 -122.443 PRESSAVG: 2101400 4.27626 59.791 6.15629 59.791 -39.6281 34.6947 6.1563 34.6947 -10.7255 GPRESSAVG: 2101400 5.2712 59.4034 3.20746 61.3746 -40.142 33.4897 8.06406 35.1606 -11.1313 TIMING: 2101400 CPU: 6276.21, 0.00299831/step Wall: 6276.21, 0.00299831/step, 2.41414 hours remaining, 206.714844 MB of memory in use. ENERGY: 2101400 718.0996 2088.9449 1925.3231 107.5923 -205717.9824 17587.2175 0.0000 0.0000 34296.2084 -148994.5966 299.5173 -183290.8051 -148908.9061 299.9564 -28.7025 9.1510 557784.2885 -15.3591 -15.3340 PRESSURE: 2101600 -81.9713 -6.6528 -114.87 -6.65206 48.7581 153.997 -114.87 153.999 -23.9867 GPRESSURE: 2101600 -60.558 34.089 -134.413 -69.9808 85.0666 44.095 -104.359 122.666 14.2153 PRESSAVG: 2101600 20.08 14.6824 -23.5738 14.6825 -3.00172 13.4275 -23.5738 13.4274 -6.65325 GPRESSAVG: 2101600 21.5479 14.378 -22.8231 14.0208 -3.95859 14.308 -24.7311 13.003 -7.6392 TIMING: 2101600 CPU: 6276.81, 0.00299176/step Wall: 6276.81, 0.00299176/step, 2.4087 hours remaining, 206.714844 MB of memory in use. ENERGY: 2101600 752.0147 2072.0821 1940.3989 118.0898 -206015.6091 17734.7369 0.0000 0.0000 34366.4681 -149031.8187 300.1309 -183398.2867 -148937.2691 299.8524 -19.0666 12.9080 557346.8858 3.4750 3.3167 PRESSURE: 2101800 37.1558 -71.8071 7.75105 -71.8077 -31.2968 67.8617 7.75174 67.8611 -216.292 GPRESSURE: 2101800 37.2587 -70.7397 -16.1938 -87.1675 -1.28539 22.6325 18.2835 41.0951 -162.456 PRESSAVG: 2101800 13.7728 -30.5506 46.5318 -30.5506 -41.8578 56.6111 46.5319 56.6112 12.6479 GPRESSAVG: 2101800 12.3718 -29.8666 46.7461 -31.4428 -41.3423 57.4362 48.323 55.8556 13.0055 TIMING: 2101800 CPU: 6277.41, 0.00299543/step Wall: 6277.41, 0.00299543/step, 2.41149 hours remaining, 206.714844 MB of memory in use. ENERGY: 2101800 723.3019 2115.5174 1939.5135 107.7023 -205905.3362 17623.1437 0.0000 0.0000 34456.7635 -148939.3939 300.9195 -183396.1574 -148844.2347 299.7041 -70.1443 -42.1611 557657.9694 -5.1457 -5.3217 PRESSURE: 2102000 92.5579 127.126 3.4713 127.125 164.363 86.7751 3.47247 86.7747 -248.434 GPRESSURE: 2102000 119.778 121.528 -20.4996 47.9481 229.581 13.8001 -47.4728 168.932 -245.115 PRESSAVG: 2102000 27.7502 1.80502 27.1898 1.80515 18.2049 36.9862 27.1897 36.9862 -27.0447 GPRESSAVG: 2102000 27.2166 0.293107 26.0496 3.3124 18.2 34.8529 28.0838 40.1993 -26.7009 TIMING: 2102000 CPU: 6278, 0.00298065/step Wall: 6278, 0.00298065/step, 2.39942 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2102000 795.9142 2152.0949 1924.5930 109.9527 -206436.6778 17966.0291 0.0000 0.0000 34354.8753 -149133.2186 300.0297 -183488.0939 -149033.1572 299.4010 2.8289 34.7479 557600.4993 6.3035 6.2385 PRESSURE: 2102200 123.034 59.3151 -112.431 59.3138 -419.694 94.2753 -112.431 94.2753 -270.714 GPRESSURE: 2102200 158.709 94.3238 -162.411 21.4036 -377.712 45.5665 -22.2367 14.0756 -243.075 PRESSAVG: 2102200 -2.43371 -18.4463 -1.3216 -18.4462 -49.4421 -29.6231 -1.3216 -29.6231 16.926 GPRESSAVG: 2102200 -2.18945 -17.1544 -1.37622 -20.6151 -49.1434 -28.4223 -3.40602 -31.9628 16.8717 TIMING: 2102200 CPU: 6278.6, 0.0029856/step Wall: 6278.6, 0.0029856/step, 2.40325 hours remaining, 206.714844 MB of memory in use. ENERGY: 2102200 789.6098 2078.6764 1922.4839 122.2422 -206060.0227 17459.0813 0.0000 0.0000 34285.6773 -149402.2518 299.4253 -183687.9291 -149299.7401 298.6160 -189.1247 -154.0260 557663.7013 -11.6499 -11.4870 PRESSURE: 2102400 -140.143 128.855 -167.79 128.856 -9.08299 28.3475 -167.79 28.3476 54.5992 GPRESSURE: 2102400 -53.0836 119.406 -186.01 163.571 -35.1703 -35.5998 -191.684 85.2781 89.3894 PRESSAVG: 2102400 46.2314 43.7958 -37.8435 43.7957 -47.2925 -14.0301 -37.8435 -14.03 26.0109 GPRESSAVG: 2102400 47.0157 46.7034 -35.6552 43.6485 -48.2461 -14.6649 -37.9279 -14.9114 26.7533 TIMING: 2102400 CPU: 6279.19, 0.00297056/step Wall: 6279.19, 0.00297056/step, 2.39097 hours remaining, 206.714844 MB of memory in use. ENERGY: 2102400 757.2047 2115.5932 1912.1322 116.5930 -206558.6562 17949.5165 0.0000 0.0000 34254.7753 -149452.8413 299.1555 -183707.6166 -149356.2270 299.0305 -31.5422 0.3785 557952.8193 8.3166 8.5076 PRESSURE: 2102600 -155.479 -37.0681 -0.104932 -37.0675 69.6649 25.5263 -0.106003 25.5239 -80.6585 GPRESSURE: 2102600 -120.219 -51.2153 0.872219 -19.4209 72.9776 55.9126 4.01856 33.8616 -24.4956 PRESSAVG: 2102600 17.694 -0.0644212 -12.915 -0.0644742 -52.9802 1.63357 -12.9151 1.63353 47.6084 GPRESSAVG: 2102600 16.8948 -3.49076 -15.4565 3.97478 -52.3604 1.868 -11.1473 2.82177 47.0068 TIMING: 2102600 CPU: 6279.79, 0.00296953/step Wall: 6279.79, 0.00296953/step, 2.38997 hours remaining, 206.714844 MB of memory in use. ENERGY: 2102600 735.7826 2123.4169 1917.5885 106.7837 -206509.7552 17843.1190 0.0000 0.0000 34259.3393 -149523.7253 299.1953 -183783.0645 -149419.5204 298.5829 -55.4908 -23.9123 557929.2453 4.1074 3.8471 PRESSURE: 2102800 168.966 -9.2119 245.062 -9.21143 -28.8759 57.6969 245.061 57.6989 87.939 GPRESSURE: 2102800 181.42 0.0269807 184.475 -31.4441 76.0347 13.2432 208.63 62.3819 77.7222 PRESSAVG: 2102800 -18.0823 -30.3532 45.1435 -30.3532 17.2298 -57.9223 45.1435 -57.9223 2.86444 GPRESSAVG: 2102800 -18.0411 -31.2579 47.3011 -32.0644 17.4188 -57.7639 44.184 -56.73 3.04883 TIMING: 2102800 CPU: 6280.38, 0.00298046/step Wall: 6280.38, 0.00298046/step, 2.39861 hours remaining, 206.714844 MB of memory in use. ENERGY: 2102800 774.8465 2057.6580 1963.9898 120.8248 -206563.6695 18033.4030 0.0000 0.0000 33959.5943 -149653.3531 296.5776 -183612.9473 -149554.2917 298.5550 76.0097 111.7256 557100.8047 0.6706 0.8088 PRESSURE: 2103000 179.394 -22.8311 1.46075 -22.8309 -226.409 -3.24072 1.46049 -3.24026 -5.32564 GPRESSURE: 2103000 218.456 0.854238 -32.728 -73.0449 -194.857 108.753 51.2526 -40.415 4.28001 PRESSAVG: 2103000 -48.6879 -12.9395 -0.679569 -12.9395 39.1112 12.7428 -0.679508 12.7428 32.9731 GPRESSAVG: 2103000 -47.9721 -10.4166 -1.59958 -13.7353 37.8769 14.0293 -1.38747 10.9211 33.5124 TIMING: 2103000 CPU: 6280.98, 0.00297011/step Wall: 6280.98, 0.00297011/step, 2.39011 hours remaining, 206.714844 MB of memory in use. ENERGY: 2103000 756.3720 2102.5194 1936.2611 112.6874 -206734.5033 17995.7649 0.0000 0.0000 34273.9581 -149556.9405 299.3230 -183830.8986 -149465.9770 298.0031 -17.4466 9.2929 556786.5055 7.7988 7.8057 PRESSURE: 2103200 290.99 78.7374 -22.0096 78.7374 13.4742 32.5792 -22.0104 32.5792 300.845 GPRESSURE: 2103200 263.087 91.3897 16.4286 13.197 95.5669 53.0141 -70.9187 34.1269 329.91 PRESSAVG: 2103200 -41.5687 52.8227 0.855394 52.8227 -16.2682 25.4873 0.855336 25.4872 53.3682 GPRESSAVG: 2103200 -41.1779 50.1894 2.32029 55.3154 -15.5526 25.8185 1.33186 25.9207 53.0439 TIMING: 2103200 CPU: 6281.57, 0.00296849/step Wall: 6281.57, 0.00296849/step, 2.38865 hours remaining, 206.714844 MB of memory in use. ENERGY: 2103200 743.6016 2077.9677 1938.1750 110.6391 -206829.6922 18175.6978 0.0000 0.0000 34382.2655 -149401.3457 300.2689 -183783.6111 -149300.3038 298.5693 201.7698 229.5213 556452.2350 -1.4896 -1.2289 PRESSURE: 2103400 60.7037 117.935 50.3179 117.936 -78.2615 46.3035 50.3186 46.3031 3.2554 GPRESSURE: 2103400 105.058 132.248 73.1031 110.596 -94.2863 -22.3291 24.8914 78.005 77.9795 PRESSAVG: 2103400 50.6828 29.2878 -23.7981 29.2878 -91.0331 59.9168 -23.7981 59.9168 43.318 GPRESSAVG: 2103400 50.3283 29.9083 -23.8902 27.5298 -89.9691 59.2506 -23.7627 59.5332 42.5153 TIMING: 2103400 CPU: 6282.16, 0.00297276/step Wall: 6282.16, 0.00297276/step, 2.39191 hours remaining, 206.714844 MB of memory in use. ENERGY: 2103400 714.6996 2078.7242 1974.5880 114.5918 -206418.4038 17959.0397 0.0000 0.0000 34256.0029 -149320.7576 299.1662 -183576.7605 -149220.8090 299.7521 -4.7675 29.5838 556301.5100 0.9892 0.9582 PRESSURE: 2103600 -267.233 -143.242 9.64122 -143.244 -109.936 -39.471 9.64052 -39.4709 97.2245 GPRESSURE: 2103600 -216.323 -122.225 -6.13481 -151.729 -52.9144 13.1546 83.6557 -86.1359 95.5374 PRESSAVG: 2103600 22.4739 47.8527 -0.160327 47.8527 -72.9495 -1.79234 -0.160321 -1.79239 72.4893 GPRESSAVG: 2103600 22.3362 48.3226 -2.51608 47.862 -73.191 -0.691573 0.945379 -1.99938 72.5758 TIMING: 2103600 CPU: 6282.76, 0.00297138/step Wall: 6282.76, 0.00297138/step, 2.39064 hours remaining, 206.714844 MB of memory in use. ENERGY: 2103600 725.4775 2102.3413 1974.2742 135.4316 -206072.8645 17516.5573 0.0000 0.0000 34370.0549 -149248.7276 300.1622 -183618.7825 -149150.1926 299.5499 -93.3150 -57.9001 555552.8317 7.3379 7.2403 PRESSURE: 2103800 -140.31 105.275 8.1085 105.274 23.6601 -53.5813 8.10886 -53.5821 -71.5051 GPRESSURE: 2103800 -53.3569 100.814 24.0863 81.0408 8.99523 -116.821 -60.0893 46.5795 -53.9239 PRESSAVG: 2103800 29.347 -13.6702 44.046 -13.6702 -64.4314 11.53 44.046 11.5301 74.872 GPRESSAVG: 2103800 29.8737 -15.7554 45.9249 -11.8617 -65.5378 9.05928 41.1951 13.952 75.3167 TIMING: 2103800 CPU: 6283.35, 0.00295101/step Wall: 6283.35, 0.00295101/step, 2.37409 hours remaining, 206.714844 MB of memory in use. ENERGY: 2103800 772.3216 2144.7410 1959.9484 111.9448 -206101.9582 17820.3335 0.0000 0.0000 34147.3458 -149145.3231 298.2173 -183292.6689 -149053.0607 299.5101 -62.7182 -32.7619 557617.0065 13.2625 13.2175 PRESSURE: 2104000 172.242 124.171 -29.8462 124.17 -132.97 103.654 -29.846 103.653 -203.669 GPRESSURE: 2104000 172.368 136.287 -38.4214 129.436 -91.9508 147.136 -118.452 116.675 -152.406 PRESSAVG: 2104000 57.0481 -6.5258 25.2902 -6.52569 -60.1754 52.0143 25.2903 52.0144 37.0944 GPRESSAVG: 2104000 56.604 -4.85721 23.378 -7.91342 -60.1515 55.0516 27.683 51.0836 37.4343 TIMING: 2104000 CPU: 6283.94, 0.00293893/step Wall: 6283.94, 0.00293893/step, 2.36421 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2104000 781.9469 2069.0070 1950.6972 116.3637 -206517.3308 17957.6248 0.0000 0.0000 34286.0801 -149355.6110 299.4289 -183641.6912 -149259.1743 299.4633 -54.7990 -23.9963 557088.9484 11.3224 11.2956 PRESSURE: 2104200 337.679 91.3985 -217.1 91.3992 -15.8923 112.881 -217.1 112.881 -33.0704 GPRESSURE: 2104200 374.395 102.626 -207.738 109.848 0.862134 126.979 -254.92 99.0735 11.7265 PRESSAVG: 2104200 60.3457 8.09285 11.8923 8.09291 -65.9335 59.5707 11.8923 59.5707 63.4178 GPRESSAVG: 2104200 60.7675 8.27196 13.4953 6.751 -66.2663 57.7552 10.1552 60.9249 63.5209 TIMING: 2104200 CPU: 6284.53, 0.00296746/step Wall: 6284.53, 0.00296746/step, 2.38699 hours remaining, 206.714844 MB of memory in use. ENERGY: 2104200 787.7429 2033.7579 1956.5388 117.8955 -206609.4509 18070.6008 0.0000 0.0000 34388.3369 -149254.5780 300.3219 -183642.9149 -149158.9267 299.3545 96.2387 128.9945 556233.4199 19.2767 19.3407 LDB: ============= START OF LOAD BALANCING ============== 6288.07 LDB: ============== END OF LOAD BALANCING =============== 6288.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6288.08 LDB: ============= START OF LOAD BALANCING ============== 6288.37 LDB: Largest compute 4773 load 0.029182 is 24.7% of average load 0.118194 LDB: Average compute 0.001728 is 1.5% of average load 0.118194 LDB: TIME 6288.38 LOAD: AVG 0.118194 MAX 0.20138 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 6288.38 LOAD: AVG 0.118194 MAX 0.20138 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: TIME 6288.38 LOAD: AVG 0.118194 MAX 0.20138 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: ============== END OF LOAD BALANCING =============== 6288.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6288.38 PRESSURE: 2104400 181.859 37.3758 -207.525 37.3748 -197.344 9.68792 -207.525 9.68583 -135.483 GPRESSURE: 2104400 134.922 19.7129 -239.288 -30.5647 -126.208 18.51 -188.663 -98.0349 -45.5793 PRESSAVG: 2104400 -42.8165 3.35935 17.6196 3.35939 -0.888191 73.3488 17.6196 73.3488 37.7339 GPRESSAVG: 2104400 -42.5996 2.34991 14.796 4.03306 -0.0146833 74.3875 19.396 72.4301 36.8694 TIMING: 2104400 CPU: 6285.13, 0.00300492/step Wall: 6285.13, 0.00300492/step, 2.41696 hours remaining, 209.027344 MB of memory in use. ENERGY: 2104400 767.3141 2114.8374 1947.5613 99.4568 -206234.3876 17874.4812 0.0000 0.0000 34018.1569 -149412.5800 297.0890 -183430.7369 -149314.5989 299.3034 -50.3227 -12.2882 558036.5687 -1.9902 -1.9150 PRESSURE: 2104600 -228.336 81.4788 107.673 81.4791 -326.953 66.1893 107.672 66.1899 -301.98 GPRESSURE: 2104600 -229.985 146.152 4.50406 102.427 -289.872 82.0886 104.475 28.8424 -251.377 PRESSAVG: 2104600 23.6377 -28.5496 9.9533 -28.5496 -4.94322 76.937 9.95326 76.9369 -51.9634 GPRESSAVG: 2104600 23.0994 -27.7124 10.714 -28.3634 -4.10964 78.7028 9.92789 75.1201 -52.1577 TIMING: 2104600 CPU: 6285.73, 0.00296779/step Wall: 6285.73, 0.00296779/step, 2.38693 hours remaining, 209.097656 MB of memory in use. ENERGY: 2104600 765.9503 2105.6600 1944.4674 103.7849 -205599.4412 17357.3917 0.0000 0.0000 34054.0398 -149268.1473 297.4024 -183322.1871 -149162.7086 298.8099 -285.7567 -257.0778 560092.2122 -11.0897 -11.0560 PRESSURE: 2104800 113.506 36.6554 36.1158 36.6554 -58.4542 -91.6191 36.1148 -91.6187 -62.1778 GPRESSURE: 2104800 116.728 31.5102 13.0133 17.1206 -8.44564 -144.052 -39.0866 -85.8613 -16.6516 PRESSAVG: 2104800 -8.01358 -3.00978 34.1683 -3.00979 0.613798 11.1635 34.1683 11.1633 -22.803 GPRESSAVG: 2104800 -7.77558 -1.77843 34.2806 -4.35012 -0.181865 9.3964 32.0993 11.043 -22.5882 TIMING: 2104800 CPU: 6286.32, 0.00297168/step Wall: 6286.32, 0.00297168/step, 2.38989 hours remaining, 209.097656 MB of memory in use. ENERGY: 2104800 696.6216 2135.0485 1946.7976 114.2268 -206109.5825 17722.0941 0.0000 0.0000 34162.0928 -149332.7011 298.3461 -183494.7939 -149232.4749 299.0264 -2.3753 30.5434 559078.0495 -10.0676 -10.1819 PRESSURE: 2105000 -36.2803 0.422094 -63.1183 0.422267 225.374 58.2716 -63.1183 58.2701 -257.579 GPRESSURE: 2105000 -26.5786 106.98 -46.033 8.77969 221.161 75.1968 -59.661 -55.6801 -169.929 PRESSAVG: 2105000 -6.83829 2.21425 4.9456 2.21438 -2.85877 -14.932 4.9456 -14.9319 18.165 GPRESSAVG: 2105000 -7.54579 0.732226 5.63205 3.443 -4.1333 -15.0742 6.36816 -13.5383 20.1607 TIMING: 2105000 CPU: 6286.91, 0.00296082/step Wall: 6286.91, 0.00296082/step, 2.381 hours remaining, 209.097656 MB of memory in use. ENERGY: 2105000 774.9252 2125.6078 1954.4698 116.8909 -206137.0496 17765.5442 0.0000 0.0000 34182.7602 -149216.8514 298.5265 -183399.6116 -149121.0943 299.1557 -22.8283 8.2179 558710.5473 2.8226 2.8272 PRESSURE: 2105200 -71.4375 163.976 53.332 163.974 -124.926 119.236 53.3316 119.238 41.6868 GPRESSURE: 2105200 23.2445 127.64 84.9593 199.546 -120.144 51.5439 -5.2822 171.935 47.0102 PRESSAVG: 2105200 12.2188 14.0923 15.8315 14.0922 25.3662 28.3981 15.8315 28.3981 -13.1897 GPRESSAVG: 2105200 14.1275 13.083 16.6494 15.3132 26.7521 29.0742 14.0796 26.9146 -16.3324 TIMING: 2105200 CPU: 6287.5, 0.00295969/step Wall: 6287.5, 0.00295969/step, 2.37992 hours remaining, 209.097656 MB of memory in use. ENERGY: 2105200 739.9897 2085.3798 1932.0960 98.2819 -206263.6235 17861.3454 0.0000 0.0000 34157.7852 -149388.7455 298.3084 -183546.5307 -149294.0959 298.3950 -51.5589 -16.6299 558341.5285 8.1317 8.1824 PRESSURE: 2105400 -110.616 74.121 153.6 74.1214 42.6553 77.3146 153.599 77.3151 87.7096 GPRESSURE: 2105400 -85.0779 42.8976 190.117 -25.6052 125.162 26.22 145.303 10.3371 89.756 PRESSAVG: 2105400 13.261 6.46928 28.913 6.46928 13.315 44.574 28.9129 44.574 3.81385 GPRESSAVG: 2105400 11.8369 8.57117 28.7691 3.83149 12.9915 42.5283 29.3019 45.5309 5.7232 TIMING: 2105400 CPU: 6288.1, 0.00295845/step Wall: 6288.1, 0.00295845/step, 2.37876 hours remaining, 209.097656 MB of memory in use. ENERGY: 2105400 745.6275 2149.9368 1936.2273 120.6205 -206474.5763 17967.5553 0.0000 0.0000 34156.6952 -149397.9137 298.2989 -183554.6089 -149294.8798 299.7655 6.5829 43.2799 558475.6586 10.1299 10.1839 PRESSURE: 2105600 2.44771 43.4732 39.9308 43.4739 -308.557 -19.0422 39.9308 -19.0419 -3.79203 GPRESSURE: 2105600 55.389 41.1051 -4.84177 102.776 -254.786 -41.7572 147.419 2.60648 -23.6341 PRESSAVG: 2105600 -3.80844 -26.0093 -56.4192 -26.0093 -45.768 44.0354 -56.4192 44.0354 7.06213 GPRESSAVG: 2105600 -4.1063 -26.7475 -57.3605 -25.3096 -44.6499 44.3397 -54.9344 44.0382 5.96703 TIMING: 2105600 CPU: 6288.69, 0.0029707/step Wall: 6288.69, 0.00297071/step, 2.38845 hours remaining, 209.097656 MB of memory in use. ENERGY: 2105600 744.3943 2117.4278 1933.6507 107.9674 -206578.4570 17657.5924 0.0000 0.0000 34441.8007 -149575.6237 300.7888 -184017.4243 -149476.2054 298.6440 -103.3003 -74.3437 556378.7100 -14.1714 -14.2631 PRESSURE: 2105800 -89.366 71.219 5.6364 71.2184 -110.98 -48.9476 5.63851 -48.9472 -20.6345 GPRESSURE: 2105800 -50.3178 66.437 -58.8041 37.4706 -139.685 -36.1232 2.15949 -42.4378 75.3278 PRESSAVG: 2105800 120.263 -63.8188 -12.7353 -63.8188 -50.5877 -0.756413 -12.7353 -0.756401 -29.1338 GPRESSAVG: 2105800 120.809 -64.5302 -12.7587 -64.3993 -52.2964 -1.48112 -13.3607 -0.360143 -28.1041 TIMING: 2105800 CPU: 6289.28, 0.00294852/step Wall: 6289.28, 0.00294852/step, 2.37045 hours remaining, 209.097656 MB of memory in use. ENERGY: 2105800 751.9009 2094.3528 1927.3938 118.2851 -206616.9949 17873.5846 0.0000 0.0000 34231.6182 -149619.8595 298.9532 -183851.4777 -149517.8891 298.7750 -73.6603 -38.2250 558545.9685 13.5137 13.4696 PRESSURE: 2106000 131.131 101.957 44.2637 101.957 35.0911 48.5983 44.2644 48.5988 -183.322 GPRESSURE: 2106000 143.155 86.8882 3.51758 86.0138 84.7527 31.5264 137.756 56.7963 -144.205 PRESSAVG: 2106000 127.789 12.3196 8.1565 12.3195 -81.2536 49.8079 8.1565 49.808 -10.5425 GPRESSAVG: 2106000 127.975 14.0113 7.60851 13.7749 -80.7378 48.2784 9.32426 52.4098 -11.0265 TIMING: 2106000 CPU: 6289.87, 0.00296102/step Wall: 6289.87, 0.00296102/step, 2.38033 hours remaining, 209.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2106000 745.0610 2146.1131 1939.3335 103.2548 -206565.8648 17833.8595 0.0000 0.0000 34328.8242 -149469.4187 299.8022 -183798.2429 -149373.3250 299.4422 -5.7000 27.9007 557324.6583 11.9978 12.0703 PRESSURE: 2106200 261.572 -76.7828 -156.463 -76.7826 75.6966 126.705 -156.463 126.705 26.6293 GPRESSURE: 2106200 291.185 -64.2726 -117.09 -66.1486 129.107 82.7433 -106.536 122.536 45.0909 PRESSAVG: 2106200 31.2536 -36.7823 40.6107 -36.7823 -29.1099 -20.7502 40.6108 -20.7502 13.6214 GPRESSAVG: 2106200 29.8266 -37.6589 39.2073 -36.9681 -28.3846 -16.8976 41.6885 -25.411 14.1995 TIMING: 2106200 CPU: 6290.46, 0.00295082/step Wall: 6290.46, 0.00295082/step, 2.37196 hours remaining, 209.097656 MB of memory in use. ENERGY: 2106200 710.5754 2086.9935 1919.2715 126.3096 -206444.9044 18006.7878 0.0000 0.0000 34193.5981 -149401.3685 298.6212 -183594.9666 -149309.0045 298.8583 121.2992 155.1275 557633.5338 5.2550 5.2138 PRESSURE: 2106400 -177.885 224.596 26.9078 224.597 -88.1295 32.9668 26.9065 32.9673 -123.472 GPRESSURE: 2106400 -151.129 192.75 -122.933 193.686 -67.7343 -32.104 86.2843 102.739 -74.1942 PRESSAVG: 2106400 13.5467 17.6624 -13.5866 17.6623 19.5438 -25.8606 -13.5866 -25.8606 -30.8582 GPRESSAVG: 2106400 14.2792 16.5328 -12.5116 18.1924 19.4711 -26.5637 -16.4464 -23.9424 -32.0346 TIMING: 2106400 CPU: 6291.06, 0.00298612/step Wall: 6291.06, 0.00298612/step, 2.40018 hours remaining, 209.097656 MB of memory in use. ENERGY: 2106400 762.6254 2072.6151 1902.0862 109.3365 -206235.3236 17511.6916 0.0000 0.0000 34425.6985 -149451.2703 300.6482 -183876.9688 -149352.6000 298.7893 -129.8288 -97.6857 556285.4733 0.7441 0.5719 PRESSURE: 2106600 -112.677 -74.2309 -56.144 -74.2305 -13.7589 -45.9216 -56.145 -45.9208 -157.904 GPRESSURE: 2106600 -41.2084 -46.2426 -2.69039 -73.3013 -41.9926 -80.2056 1.48886 -22.7658 -117.745 PRESSAVG: 2106600 47.2392 30.4336 18.3515 30.4336 -37.5764 -36.1901 18.3513 -36.1901 17.6568 GPRESSAVG: 2106600 47.6061 30.8087 18.9146 29.1874 -39.3539 -36.8785 19.3613 -36.1739 19.1757 TIMING: 2106600 CPU: 6291.65, 0.00294168/step Wall: 6291.65, 0.00294168/step, 2.3643 hours remaining, 209.097656 MB of memory in use. ENERGY: 2106600 759.3877 2125.2843 1913.5048 113.4382 -206442.4733 17816.2931 0.0000 0.0000 34213.4233 -149501.1419 298.7943 -183714.5652 -149408.8156 299.2412 -94.7801 -66.9819 556130.3764 9.1065 9.1426 PRESSURE: 2106800 -79.932 -82.4991 -96.2548 -82.499 99.742 -115.125 -96.2551 -115.124 -268.338 GPRESSURE: 2106800 -46.6629 -19.1885 -187.808 -113.25 124.198 -169.346 -119.988 -38.6732 -227.077 PRESSAVG: 2106800 -18.0115 27.1963 -58.5558 27.1962 -31.9703 18.5629 -58.5559 18.5628 10.2394 GPRESSAVG: 2106800 -16.9885 28.1508 -57.5678 26.1999 -32.9625 17.4013 -59.5113 22.3995 10.1568 TIMING: 2106800 CPU: 6292.23, 0.00291445/step Wall: 6292.23, 0.00291445/step, 2.34225 hours remaining, 209.097656 MB of memory in use. ENERGY: 2106800 771.8060 2075.4744 1885.0055 116.4633 -206305.9482 17684.1419 0.0000 0.0000 34368.2174 -149404.8396 300.1462 -183773.0570 -149306.7518 298.6109 -82.8427 -49.8473 557001.4922 -13.2475 -13.2648 PRESSURE: 2107000 -237.823 48.5968 -8.8787 48.5967 -89.1931 -170.892 -8.87826 -170.891 -45.674 GPRESSURE: 2107000 -160.823 -4.24467 -20.849 77.9877 -69.643 -57.3393 -17.3149 -190.682 -43.9253 PRESSAVG: 2107000 43.2093 37.6781 -9.34074 37.6781 -44.9972 -8.99743 -9.34074 -8.99741 24.0913 GPRESSAVG: 2107000 42.7343 37.3423 -11.4793 38.3684 -43.354 -7.79599 -6.79193 -12.3268 23.3695 TIMING: 2107000 CPU: 6292.82, 0.0029739/step Wall: 6292.82, 0.0029739/step, 2.38986 hours remaining, 209.097656 MB of memory in use. ENERGY: 2107000 757.2760 2076.2711 1910.5553 124.8522 -206099.3903 17566.9538 0.0000 0.0000 34201.9642 -149461.5178 298.6943 -183663.4820 -149353.4136 298.2949 -124.2300 -91.4636 557504.3052 7.4344 7.5833 PRESSURE: 2107200 93.0235 47.5777 56.8806 47.5768 57.5872 -357.954 56.8807 -357.957 50.0351 GPRESSURE: 2107200 100.18 23.3157 38.6463 44.7875 106.539 -356.453 57.8093 -359.77 84.303 PRESSAVG: 2107200 -31.3672 33.0127 -19.4437 33.0127 -21.5813 -43.5113 -19.4437 -43.5113 56.9595 GPRESSAVG: 2107200 -30.7959 33.7379 -16.7304 33.6471 -22.2245 -44.2944 -21.5907 -43.3418 57.3504 TIMING: 2107200 CPU: 6293.42, 0.00296617/step Wall: 6293.42, 0.00296617/step, 2.38348 hours remaining, 209.097656 MB of memory in use. ENERGY: 2107200 716.8400 2078.4042 1926.3738 123.4656 -206571.1609 17968.6565 0.0000 0.0000 34236.5306 -149520.8901 298.9961 -183757.4207 -149426.3669 297.9959 66.8819 97.0071 557202.5572 1.3370 1.4433 PRESSURE: 2107400 81.9128 -141.234 -125.167 -141.235 -21.4158 -4.82863 -125.168 -4.82809 -49.7609 GPRESSURE: 2107400 81.2066 -116.559 -16.2642 -99.0633 26.827 -47.0566 -215.814 -2.20593 10.5798 PRESSAVG: 2107400 -71.996 -79.631 16.5506 -79.631 -2.04542 5.63832 16.5507 5.63829 43.6945 GPRESSAVG: 2107400 -73.3744 -81.2252 14.7392 -79.3279 -2.06563 5.44309 15.9973 5.12164 45.0089 TIMING: 2107400 CPU: 6294.01, 0.00294166/step Wall: 6294.01, 0.00294166/step, 2.36362 hours remaining, 209.097656 MB of memory in use. ENERGY: 2107400 753.6660 2133.4144 1935.0090 116.5355 -206549.4119 17901.3905 0.0000 0.0000 34198.4178 -149510.9787 298.6633 -183709.3965 -149415.2287 299.2761 3.5787 39.5378 557199.8551 -10.1156 -10.1437 PRESSURE: 2107600 2.83234 62.6525 -9.92234 62.6519 -202.728 -45.3778 -9.92272 -45.3789 -88.9032 GPRESSURE: 2107600 24.112 43.5893 34.8809 36.4124 -138.11 -132.749 5.84094 47.691 -72.9083 PRESSAVG: 2107600 15.5819 12.1229 -30.9383 12.1228 -68.3517 47.1076 -30.9383 47.1076 55.4342 GPRESSAVG: 2107600 15.3324 11.0136 -30.6052 12.839 -67.5944 49.391 -30.4641 45.7714 54.7018 TIMING: 2107600 CPU: 6294.6, 0.00297138/step Wall: 6294.6, 0.00297138/step, 2.38734 hours remaining, 209.097656 MB of memory in use. ENERGY: 2107600 727.0079 2114.0508 1929.8535 106.1734 -206420.4383 17836.0191 0.0000 0.0000 34180.8901 -149526.4436 298.5102 -183707.3336 -149427.4497 299.1554 -96.2664 -62.3019 558256.9082 0.8881 0.8133 PRESSURE: 2107800 238.085 -60.3396 14.7693 -60.3392 -3.74649 -241.399 14.7702 -241.398 -79.2732 GPRESSURE: 2107800 298.278 -58.6787 69.6354 -96.7124 47.2222 -154.349 9.43953 -207.863 -83.8359 PRESSAVG: 2107800 26.7311 -37.2587 -23.2075 -37.2586 -36.2874 -1.53309 -23.2076 -1.53317 -27.0263 GPRESSAVG: 2107800 26.3498 -34.922 -25.2925 -39.6902 -36.438 -4.92014 -23.4018 1.36041 -26.3496 TIMING: 2107800 CPU: 6295.2, 0.00298116/step Wall: 6295.2, 0.00298116/step, 2.39503 hours remaining, 209.097656 MB of memory in use. ENERGY: 2107800 769.6543 2069.6985 1908.2602 113.5198 -206712.8577 18125.3716 0.0000 0.0000 34146.4627 -149579.8906 298.2096 -183726.3534 -149494.1146 299.3972 51.6883 87.2214 558379.5976 -12.1942 -12.1459 PRESSURE: 2108000 55.8662 -20.4394 23.2893 -20.4383 312.253 72.1645 23.2898 72.1663 70.0678 GPRESSURE: 2108000 112.076 -26.6523 45.0036 11.5117 362.59 30.5184 72.7796 184.913 64.5407 PRESSAVG: 2108000 14.5661 -35.5911 -1.07562 -35.591 -33.3551 -75.2176 -1.07555 -75.2176 -19.2941 GPRESSAVG: 2108000 15.4139 -37.1803 -0.833524 -32.5662 -33.155 -73.7785 0.824089 -76.6342 -19.8969 TIMING: 2108000 CPU: 6295.79, 0.00298978/step Wall: 6295.79, 0.00298978/step, 2.40179 hours remaining, 209.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2108000 742.9396 2009.9564 1939.3743 116.3720 -206493.1559 17904.2806 0.0000 0.0000 34142.1409 -149638.0920 298.1718 -183780.2329 -149546.4528 298.8865 146.0624 179.7355 556087.1776 -12.6944 -12.5460 PRESSURE: 2108200 324.673 -137.93 4.85156 -137.93 -29.754 -70.6711 4.85182 -70.6707 -183.915 GPRESSURE: 2108200 340.744 -205.94 35.6308 -97.2878 31.8744 -129.149 39.7921 -132.666 -155.163 PRESSAVG: 2108200 95.6316 31.2177 36.8329 31.2174 2.28744 -34.1825 36.833 -34.1824 -68.6152 GPRESSAVG: 2108200 94.6932 29.9886 39.7412 31.0808 2.7529 -34.7738 35.1538 -32.987 -67.8055 TIMING: 2108200 CPU: 6296.4, 0.00300656/step Wall: 6296.4, 0.00300656/step, 2.4151 hours remaining, 209.097656 MB of memory in use. ENERGY: 2108200 797.3992 2032.0049 1946.2037 126.8233 -206402.5145 17930.2069 0.0000 0.0000 34166.9910 -149402.8855 298.3888 -183569.8764 -149314.0453 298.5761 37.0013 72.4851 556423.4658 9.7679 9.8802 LDB: ============= START OF LOAD BALANCING ============== 6299.95 LDB: ============== END OF LOAD BALANCING =============== 6299.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6299.95 LDB: ============= START OF LOAD BALANCING ============== 6300.25 LDB: Largest compute 4773 load 0.028568 is 24.2% of average load 0.118181 LDB: Average compute 0.001729 is 1.5% of average load 0.118181 LDB: TIME 6300.25 LOAD: AVG 0.118181 MAX 0.204935 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 6300.25 LOAD: AVG 0.118181 MAX 0.204935 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.004 MB LDB: TIME 6300.25 LOAD: AVG 0.118181 MAX 0.204935 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.004 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6300.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6300.25 PRESSURE: 2108400 275.852 -77.3773 124.058 -77.3797 153.475 -47.3158 124.058 -47.3147 409.487 GPRESSURE: 2108400 275.117 -98.0604 29.9416 -94.1871 219.985 -27.0154 20.6271 -93.0636 437.625 PRESSAVG: 2108400 -0.0426564 -1.775 -11.7277 -1.77508 20.4909 -54.2147 -11.7278 -54.2148 -41.3721 GPRESSAVG: 2108400 0.766117 -0.750439 -12.6725 -2.44918 20.4061 -54.8481 -9.54777 -54.7414 -41.7758 TIMING: 2108400 CPU: 6297, 0.00304337/step Wall: 6297, 0.00304337/step, 2.4445 hours remaining, 206.511719 MB of memory in use. ENERGY: 2108400 736.2587 2040.9036 1903.5881 112.0533 -207177.5919 18462.4273 0.0000 0.0000 34483.2045 -149439.1564 301.1504 -183922.3609 -149335.3827 299.0127 279.6046 310.9090 555822.9032 -6.9746 -6.8679 PRESSURE: 2108600 -86.3531 -150.145 -122.62 -150.146 -237.063 48.0776 -122.619 48.0783 -53.9184 GPRESSURE: 2108600 -80.661 -150.82 -76.2522 -71.8382 -205.329 70.1248 -15.8511 62.67 9.7362 PRESSAVG: 2108600 21.0599 -21.3591 -9.79455 -21.3591 -9.57422 -17.3895 -9.79454 -17.3895 -11.6378 GPRESSAVG: 2108600 20.6576 -21.5508 -10.9086 -20.4077 -10.1198 -14.926 -11.2046 -18.2382 -11.1263 TIMING: 2108600 CPU: 6297.6, 0.00299376/step Wall: 6297.6, 0.00299376/step, 2.40449 hours remaining, 206.511719 MB of memory in use. ENERGY: 2108600 775.8776 2059.2128 1900.7524 126.1910 -206158.4418 17812.6197 0.0000 0.0000 34113.1055 -149370.6828 297.9182 -183483.7882 -149276.4250 298.9520 -125.7781 -92.0845 556664.8530 -0.0507 -0.1961 PRESSURE: 2108800 9.66272 -79.99 -38.5609 -79.99 31.7141 35.2194 -38.5607 35.2201 67.3909 GPRESSURE: 2108800 58.4421 -19.7769 -35.8999 -67.7431 33.0678 -27.7908 -50.1405 38.7203 97.3734 PRESSAVG: 2108800 -10.8912 36.1975 0.57548 36.1975 14.8155 53.0276 0.575519 53.0276 -2.02382 GPRESSAVG: 2108800 -11.392 36.9451 3.4537 34.6003 14.5247 49.887 -0.790026 52.9101 -1.03046 TIMING: 2108800 CPU: 6298.2, 0.00299899/step Wall: 6298.2, 0.00299899/step, 2.40852 hours remaining, 206.511719 MB of memory in use. ENERGY: 2108800 741.9973 2076.2733 1925.7537 116.6491 -206198.9379 17819.8235 0.0000 0.0000 34348.4814 -149169.9595 299.9738 -183518.4409 -149073.4426 298.6466 36.2559 62.9611 557367.3382 0.6335 0.7008 PRESSURE: 2109000 -193.584 -111.962 -155.603 -111.964 -19.7507 63.9391 -155.604 63.9407 -23.2688 GPRESSURE: 2109000 -162.793 -68.792 -131.068 -121.249 -8.44841 56.6749 -262.636 -29.7872 30.6662 PRESSAVG: 2109000 -8.81088 -50.5795 95.0058 -50.5795 33.7692 54.6245 95.0059 54.6245 60.1445 GPRESSAVG: 2109000 -8.23573 -50.618 94.0092 -51.4906 33.7206 57.0174 95.2978 53.271 60.0566 TIMING: 2109000 CPU: 6298.8, 0.00297704/step Wall: 6298.8, 0.00297704/step, 2.39073 hours remaining, 206.511719 MB of memory in use. ENERGY: 2109000 740.4651 2113.5129 1916.7698 112.3914 -206027.7582 17796.3743 0.0000 0.0000 34032.1428 -149316.1019 297.2112 -183348.2447 -149224.7577 298.7136 -78.8679 -46.8584 559207.9891 28.3676 28.5138 PRESSURE: 2109200 -107.571 -94.303 113.655 -94.3033 -273.478 160.205 113.656 160.204 -299.221 GPRESSURE: 2109200 -96.8552 -84.2641 116.69 -68.8043 -217.771 207.556 123.689 129.623 -269.389 PRESSAVG: 2109200 -79.3111 -11.9088 22.0692 -11.9087 -13.3802 -16.1834 22.0692 -16.1835 15.0851 GPRESSAVG: 2109200 -78.2426 -11.1368 22.585 -10.552 -14.5572 -13.7165 21.7358 -15.7342 14.6973 TIMING: 2109200 CPU: 6299.4, 0.00298347/step Wall: 6299.4, 0.00298347/step, 2.39573 hours remaining, 206.511719 MB of memory in use. ENERGY: 2109200 775.0605 2069.2159 1932.9126 95.8713 -206126.8880 17745.2056 0.0000 0.0000 34147.2687 -149361.3534 298.2166 -183508.6221 -149266.7631 298.6117 -226.7568 -194.6719 558207.7876 -25.8687 -26.0341 PRESSURE: 2109400 -74.4735 83.1489 57.0369 83.1495 -19.4195 7.0264 57.037 7.02634 -131.401 GPRESSURE: 2109400 -95.3931 48.5417 92.8 55.1312 31.9097 -40.5092 -47.1875 19.0328 -43.4931 PRESSAVG: 2109400 32.7811 41.2284 32.1623 41.2284 67.8 -27.6747 32.1623 -27.6747 -86.3073 GPRESSAVG: 2109400 32.2397 40.4177 29.8269 40.3449 69.2683 -30.2843 33.3041 -27.1939 -86.4732 TIMING: 2109400 CPU: 6299.99, 0.00299051/step Wall: 6299.99, 0.00299051/step, 2.40121 hours remaining, 206.511719 MB of memory in use. ENERGY: 2109400 754.2900 2061.5728 1940.0419 105.7747 -206262.9987 17829.8243 0.0000 0.0000 34248.6612 -149322.8338 299.1021 -183571.4950 -149226.1211 299.6914 -75.0979 -35.6589 557770.7565 4.7579 5.0116 PRESSURE: 2109600 -198.299 -6.91612 -102.527 -6.91744 -102.117 -79.7311 -102.526 -79.7317 -130.488 GPRESSURE: 2109600 -187.906 63.9519 -104.362 -88.9334 -38.3379 -34.4948 -86.4284 -17.8352 -99.7478 PRESSAVG: 2109600 -3.61797 54.1291 30.8551 54.1291 25.6229 48.5403 30.8552 48.5404 -1.59007 GPRESSAVG: 2109600 -2.57435 55.225 33.1946 54.3649 25.0781 49.568 30.1391 49.1113 -1.87921 TIMING: 2109600 CPU: 6300.59, 0.00296427/step Wall: 6300.59, 0.00296427/step, 2.37998 hours remaining, 206.511719 MB of memory in use. ENERGY: 2109600 764.8716 2107.1778 1927.4975 103.6757 -206105.8725 17702.7930 0.0000 0.0000 34234.8524 -149265.0045 298.9815 -183499.8568 -149170.4544 299.1690 -143.6349 -108.6638 558108.9391 6.8049 6.8748 PRESSURE: 2109800 -169.015 18.2842 53.2117 18.284 -51.2772 -198.325 53.2126 -198.325 57.9789 GPRESSURE: 2109800 -103.083 22.7719 108.668 -0.140894 -101.004 -174.888 4.69542 -132.34 133.658 PRESSAVG: 2109800 -44.1844 52.0492 -2.67087 52.0491 31.5851 18.5929 -2.6708 18.5928 15.4627 GPRESSAVG: 2109800 -45.0787 52.9697 -4.00184 51.129 31.5311 17.6757 -2.44043 19.6801 16.4282 TIMING: 2109800 CPU: 6301.17, 0.00293445/step Wall: 6301.17, 0.00293445/step, 2.35587 hours remaining, 206.511719 MB of memory in use. ENERGY: 2109800 713.4496 2051.8048 1952.3244 110.4257 -206061.5324 17713.4116 0.0000 0.0000 34461.3456 -149058.7707 300.9595 -183520.1163 -148963.2042 299.6141 -54.1045 -23.4765 557810.2896 0.9545 0.9602 PRESSURE: 2110000 67.5554 127.937 44.6794 127.937 -196.755 -14.0952 44.6784 -14.0947 -75.8966 GPRESSURE: 2110000 114.89 138.364 27.984 189.872 -149.289 3.10407 102.56 3.41186 -54.3814 PRESSAVG: 2110000 15.4575 36.7959 -15.1754 36.796 -35.1313 -7.04502 -15.1754 -7.04509 31.6626 GPRESSAVG: 2110000 16.1538 38.1429 -16.9374 36.6834 -34.6309 -8.66678 -13.9773 -6.4747 30.1097 TIMING: 2110000 CPU: 6301.77, 0.00297583/step Wall: 6301.77, 0.00297583/step, 2.38893 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2110000 776.3914 2063.4887 1939.9196 105.9773 -205825.6540 17746.7102 0.0000 0.0000 34162.0480 -149031.1188 298.3457 -183193.1667 -148933.4361 299.4120 -68.3655 -29.5935 559597.0069 3.9963 3.8775 PRESSURE: 2110200 63.0605 101.462 15.8447 101.464 349.999 -55.0949 15.8454 -55.0948 -1.80297 GPRESSURE: 2110200 128.628 86.931 37.4396 47.9522 326.579 -83.2032 -34.8811 -108.721 56.5154 PRESSAVG: 2110200 3.13396 18.2893 -28.6045 18.2893 38.2319 4.87484 -28.6045 4.87485 -12.9533 GPRESSAVG: 2110200 3.06092 15.6288 -29.2902 18.473 38.1818 6.56607 -28.2786 3.5964 -12.8347 TIMING: 2110200 CPU: 6302.36, 0.0029684/step Wall: 6302.36, 0.0029684/step, 2.3828 hours remaining, 206.511719 MB of memory in use. ENERGY: 2110200 717.9054 2129.7705 1929.7612 106.8878 -206152.6343 17983.1983 0.0000 0.0000 34200.3864 -149084.7246 298.6805 -183285.1111 -148990.0515 299.8664 137.0854 170.5741 558231.6302 9.4709 9.4693 PRESSURE: 2110400 -232.355 -153.39 110.955 -153.389 -45.5515 76.2973 110.955 76.2975 232.061 GPRESSURE: 2110400 -192.646 -210.827 51.5086 -127.427 3.16891 87.1752 241.394 49.4455 247.727 PRESSAVG: 2110400 14.4167 -31.7732 19.2021 -31.7732 -24.4986 23.7643 19.2022 23.7641 50.5576 GPRESSAVG: 2110400 13.8169 -31.7919 21.0041 -30.7878 -24.8748 24.7415 19.1955 22.6767 50.98 TIMING: 2110400 CPU: 6302.95, 0.00296118/step Wall: 6302.95, 0.00296118/step, 2.37684 hours remaining, 206.511719 MB of memory in use. ENERGY: 2110400 699.1367 2168.1285 1893.4366 104.5257 -205789.5915 17552.7432 0.0000 0.0000 34336.9993 -149034.6214 299.8736 -183371.6207 -148939.9750 299.1639 -15.2817 19.4166 558006.9090 13.4919 13.3074 PRESSURE: 2110600 252.887 102.409 177.301 102.408 153.145 -72.8733 177.301 -72.8724 61.2986 GPRESSURE: 2110600 307.278 120.744 160.755 -30.6426 116.671 -18.8353 73.0333 -65.7303 144.231 PRESSAVG: 2110600 25.3791 -10.4408 59.7313 -10.4408 -75.0939 -6.14474 59.7313 -6.14479 16.9127 GPRESSAVG: 2110600 25.6564 -10.2369 59.1882 -10.01 -74.7296 -4.45207 60.0023 -5.39727 16.4507 TIMING: 2110600 CPU: 6303.54, 0.00294264/step Wall: 6303.54, 0.00294264/step, 2.36179 hours remaining, 206.511719 MB of memory in use. ENERGY: 2110600 705.9544 2091.7192 1919.6687 123.0957 -206320.1677 18192.6435 0.0000 0.0000 34324.3273 -148962.7588 299.7629 -183287.0861 -148866.7312 299.9264 155.7770 189.3932 558052.9643 -10.9340 -10.8742 PRESSURE: 2110800 22.0834 65.0134 28.0545 65.0128 -34.5955 24.9899 28.0548 24.991 9.47536 GPRESSURE: 2110800 77.0332 139.288 -44.352 139.193 31.581 89.9485 51.4772 -55.8508 -13.2849 PRESSAVG: 2110800 26.2661 18.2492 57.3226 18.2492 -58.4059 9.08454 57.3225 9.0846 68.0597 GPRESSAVG: 2110800 26.3915 16.8441 57.5506 18.3863 -57.9624 8.59089 54.3167 6.98732 68.271 TIMING: 2110800 CPU: 6304.14, 0.00297768/step Wall: 6304.14, 0.00297768/step, 2.38975 hours remaining, 206.511719 MB of memory in use. ENERGY: 2110800 729.4101 2146.7846 1891.7747 106.7300 -206256.1348 17730.4111 0.0000 0.0000 34639.0168 -149012.0075 302.5111 -183651.0243 -148912.9299 299.6412 -1.0122 31.7765 557199.0917 11.9733 12.2334 PRESSURE: 2111000 -245.381 -83.8707 6.57172 -83.8717 -94.4256 96.9616 6.57167 96.9614 -179.81 GPRESSURE: 2111000 -220.219 -73.4714 34.872 -152.292 -87.6541 100.927 -58.0285 71.6368 -114.162 PRESSAVG: 2111000 3.99688 -23.0001 -5.51526 -23.0002 -41.8268 13.4694 -5.51533 13.4695 73.6507 GPRESSAVG: 2111000 5.31077 -23.3065 -7.19585 -23.8372 -42.3922 12.5628 -2.78821 15.8164 73.9176 TIMING: 2111000 CPU: 6304.74, 0.00298832/step Wall: 6304.74, 0.00298832/step, 2.39813 hours remaining, 206.511719 MB of memory in use. ENERGY: 2111000 730.7406 2114.5750 1916.7205 115.0239 -205782.1646 17427.6001 0.0000 0.0000 34400.9322 -149076.5723 300.4319 -183477.5045 -148976.8136 299.9263 -173.2055 -140.6782 558506.1342 11.9402 12.2787 PRESSURE: 2111200 183.238 30.1746 -47.8181 30.1752 -359.591 7.38061 -47.8175 7.38074 -199.979 GPRESSURE: 2111200 219.189 77.1161 -82.153 -47.3931 -383.519 -6.83464 9.9737 -20.1687 -127.741 PRESSAVG: 2111200 -89.5453 -9.11188 -6.85399 -9.1119 7.07675 34.0256 -6.8539 34.0256 86.1509 GPRESSAVG: 2111200 -89.4087 -7.72612 -5.00488 -8.88469 6.60485 31.2668 -8.19821 35.4664 86.8759 TIMING: 2111200 CPU: 6305.33, 0.00296909/step Wall: 6305.33, 0.00296909/step, 2.38253 hours remaining, 206.511719 MB of memory in use. ENERGY: 2111200 726.3262 2043.1346 1917.4414 115.5152 -206007.0168 17550.5658 0.0000 0.0000 34449.9411 -149204.0924 300.8599 -183654.0335 -149110.8652 300.6050 -125.4440 -97.3569 557161.3301 1.2275 1.3573 PRESSURE: 2111400 55.4733 -139.876 83.2319 -139.875 81.1722 160.863 83.2315 160.864 -87.7552 GPRESSURE: 2111400 121.68 -181 64.0354 -142.718 89.7612 75.9691 12.9388 204.342 -81.6965 PRESSAVG: 2111400 22.3428 -9.99175 -5.4589 -9.99167 0.5801 3.51064 -5.45894 3.51058 -11.775 GPRESSAVG: 2111400 20.8392 -10.2558 -4.7026 -8.60827 2.10239 4.77789 -5.96381 1.18714 -11.8696 TIMING: 2111400 CPU: 6305.92, 0.0029644/step Wall: 6305.92, 0.0029644/step, 2.3786 hours remaining, 206.511719 MB of memory in use. ENERGY: 2111400 724.2271 2041.6475 1926.9711 104.3428 -206094.3544 17804.3659 0.0000 0.0000 34435.6265 -149057.1736 300.7349 -183492.8000 -148954.8623 299.8539 16.2968 43.2483 556472.9998 3.7160 3.6907 PRESSURE: 2111600 -125.639 -69.2267 88.2479 -69.2267 179.984 -150.135 88.2472 -150.134 -213.061 GPRESSURE: 2111600 -97.5215 -71.2123 109.731 -57.1008 203.641 -167.927 108.144 -172.221 -168.949 PRESSAVG: 2111600 -3.44013 -47.3717 42.6399 -47.3717 -53.7249 13.9702 42.6399 13.9702 47.4204 GPRESSAVG: 2111600 -4.25952 -48.2276 39.4955 -47.6434 -54.1754 13.8904 45.1748 13.8151 49.1763 TIMING: 2111600 CPU: 6306.52, 0.00297987/step Wall: 6306.52, 0.00297987/step, 2.39085 hours remaining, 206.511719 MB of memory in use. ENERGY: 2111600 725.6372 2081.5978 1937.4281 111.3712 -205848.6815 17582.3702 0.0000 0.0000 34297.3678 -149112.9091 299.5274 -183410.2769 -149021.9508 299.9883 -52.9054 -20.9432 557048.2524 -3.2482 -3.0862 PRESSURE: 2111800 -86.7516 200.224 -153.48 200.225 181.092 -47.7085 -153.48 -47.7071 196.525 GPRESSURE: 2111800 -3.26787 129.847 -100.735 209.519 155.848 -55.7003 -154.459 -22.8747 230.242 PRESSAVG: 2111800 -25.528 -6.90109 11.7033 -6.90111 -9.92807 -50.4087 11.7032 -50.4087 58.0373 GPRESSAVG: 2111800 -25.3642 -5.53708 13.7064 -8.40451 -9.62266 -50.7461 10.6611 -50.2546 57.8156 TIMING: 2111800 CPU: 6307.11, 0.00296233/step Wall: 6307.11, 0.00296233/step, 2.37661 hours remaining, 206.511719 MB of memory in use. ENERGY: 2111800 756.3945 2092.9779 1931.5977 102.4442 -206499.7250 18066.7120 0.0000 0.0000 34246.9129 -149302.6858 299.0868 -183549.5987 -149209.8886 299.0229 96.9550 127.6073 557656.2659 7.5271 7.6096 PRESSURE: 2112000 -199.614 -4.62297 63.8851 -4.62326 -282.883 -166.986 63.8856 -166.986 44.732 GPRESSURE: 2112000 -153.209 0.879015 127.752 -25.6948 -196.739 -113.879 -36.0034 -196.175 23.1592 PRESSAVG: 2112000 -58.4099 16.1326 64.5511 16.1327 -13.0549 -12.4265 64.5511 -12.4265 54.1706 GPRESSAVG: 2112000 -57.9305 15.9036 64.613 16.0507 -12.7399 -10.9102 63.4475 -12.5701 53.1829 TIMING: 2112000 CPU: 6307.71, 0.0029732/step Wall: 6307.71, 0.0029732/step, 2.38517 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2112000 733.8188 2125.0360 1925.0452 109.7001 -205728.7096 17434.8392 0.0000 0.0000 34041.6655 -149358.6049 297.2943 -183400.2703 -149265.7775 299.1247 -145.9214 -108.9296 557231.5513 -5.7647 -5.8292 PRESSURE: 2112200 -412.317 2.68373 -139.744 2.68306 -505.985 36.3271 -139.744 36.3286 -52.6934 GPRESSURE: 2112200 -405.843 -89.8628 -120.079 -36.8127 -440.118 18.5981 -200.461 1.75789 -26.5992 PRESSAVG: 2112200 10.784 6.96153 29.7185 6.96152 -9.70149 -2.05562 29.7185 -2.05552 25.0063 GPRESSAVG: 2112200 11.5201 4.73749 28.0976 9.54122 -9.97911 -3.60037 30.5813 -1.05003 24.0835 TIMING: 2112200 CPU: 6308.31, 0.00301695/step Wall: 6308.31, 0.00301695/step, 2.42009 hours remaining, 206.511719 MB of memory in use. ENERGY: 2112200 769.4628 2065.7578 1931.3812 113.8427 -205601.9492 17144.6776 0.0000 0.0000 34302.5403 -149274.2869 299.5726 -183576.8272 -149177.9571 299.8137 -323.6652 -290.8534 557212.5820 8.6963 8.5415 LDB: ============= START OF LOAD BALANCING ============== 6311.86 LDB: ============== END OF LOAD BALANCING =============== 6311.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6311.86 LDB: ============= START OF LOAD BALANCING ============== 6312.16 LDB: Largest compute 4773 load 0.027351 is 23.1% of average load 0.118287 LDB: Average compute 0.001718 is 1.5% of average load 0.118287 LDB: TIME 6312.16 LOAD: AVG 0.118287 MAX 0.204266 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 6312.16 LOAD: AVG 0.118287 MAX 0.204266 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: TIME 6312.16 LOAD: AVG 0.118287 MAX 0.204266 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: ============== END OF LOAD BALANCING =============== 6312.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6312.17 PRESSURE: 2112400 -265.502 69.8766 54.5804 69.8768 125.099 -38.0295 54.5788 -38.0288 -16.0474 GPRESSURE: 2112400 -182.071 -14.0814 -1.81453 58.5368 138.268 -38.8594 66.2637 2.48178 -3.9556 PRESSAVG: 2112400 -14.6397 -61.2722 -12.8197 -61.2722 15.0426 6.05476 -12.8198 6.05489 20.9727 GPRESSAVG: 2112400 -14.3735 -61.5619 -14.6119 -62.7726 14.5541 4.87804 -12.1258 6.33238 21.2251 TIMING: 2112400 CPU: 6308.92, 0.00304561/step Wall: 6308.92, 0.00304561/step, 2.44292 hours remaining, 206.714844 MB of memory in use. ENERGY: 2112400 759.4504 2092.3073 1931.0078 120.5598 -206195.6300 17795.4064 0.0000 0.0000 34281.3125 -149215.5857 299.3872 -183496.8982 -149125.4768 299.5251 -52.1501 -15.9196 555913.5260 7.1252 7.1352 PRESSURE: 2112600 46.3862 39.6291 -2.31224 39.6298 304.874 277.055 -2.31074 277.055 59.1161 GPRESSURE: 2112600 111.929 -15.2936 73.7774 172.253 270.653 293.912 -63.4759 309.439 123.834 PRESSAVG: 2112600 -3.4657 -48.3928 -19.1671 -48.3928 -2.23744 -28.7874 -19.1671 -28.7874 56.0114 GPRESSAVG: 2112600 -3.48082 -47.8451 -16.9009 -45.9128 -2.20182 -27.0185 -20.4883 -29.1263 55.8801 TIMING: 2112600 CPU: 6309.52, 0.00298371/step Wall: 6309.52, 0.00298371/step, 2.3931 hours remaining, 206.714844 MB of memory in use. ENERGY: 2112600 763.4925 2137.8789 1907.2168 112.5968 -206402.1310 17997.1543 0.0000 0.0000 34305.7551 -149178.0366 299.6007 -183483.7917 -149094.7660 299.5064 136.7921 168.8052 555726.6713 16.7694 16.7325 PRESSURE: 2112800 -202.839 97.4216 2.20469 97.422 -36.7837 -145.241 2.20327 -145.242 82.3279 GPRESSURE: 2112800 -115.47 117.186 -4.77977 106.149 8.89059 -231.582 -35.161 -86.5113 58.6674 PRESSAVG: 2112800 -29.8134 -33.7219 46.85 -33.7218 16.6651 -56.0536 46.85 -56.0535 54.2827 GPRESSAVG: 2112800 -30.517 -31.2283 46.4758 -34.8094 16.9333 -56.92 46.4614 -55.0912 54.6283 TIMING: 2112800 CPU: 6310.12, 0.00300097/step Wall: 6310.12, 0.00300097/step, 2.40677 hours remaining, 206.714844 MB of memory in use. ENERGY: 2112800 712.1968 2102.8527 1916.5059 112.8932 -205931.5873 17512.2081 0.0000 0.0000 34233.3022 -149341.6283 298.9679 -183574.9305 -149248.4355 299.1374 -52.4315 -15.9707 556725.7386 13.7115 13.6815 PRESSURE: 2113000 -129.08 -93.1745 -83.0694 -93.1757 -44.3172 -21.0289 -83.0695 -21.0291 -256.835 GPRESSURE: 2113000 -154.809 -178.259 -98.88 30.3254 -17.3872 -54.5854 -46.8941 -44.4562 -151.541 PRESSAVG: 2113000 -15.7017 -13.2155 -52.232 -13.2155 47.61 -63.4999 -52.232 -63.5 -10.5134 GPRESSAVG: 2113000 -16.3583 -13.0514 -50.6176 -15.579 46.8082 -63.6471 -54.2629 -65.6385 -8.68499 TIMING: 2113000 CPU: 6310.71, 0.00298919/step Wall: 6310.71, 0.00298919/step, 2.39716 hours remaining, 206.714844 MB of memory in use. ENERGY: 2113000 749.7794 2095.9482 1928.1902 112.9034 -205831.9498 17434.5130 0.0000 0.0000 34270.4985 -149240.1171 299.2928 -183510.6157 -149150.9749 299.1066 -143.4108 -107.9125 556535.8039 7.1316 7.2550 PRESSURE: 2113200 -242.24 -142.822 165.903 -142.822 -258.653 37.4065 165.902 37.4077 -229.205 GPRESSURE: 2113200 -233.196 -167.388 166.903 -96.9326 -152.18 103.662 152.96 15.9947 -236.7 PRESSAVG: 2113200 -61.7371 -35.9282 -19.035 -35.9282 16.5268 6.1156 -19.035 6.11556 36.8241 GPRESSAVG: 2113200 -60.8587 -36.9565 -18.9955 -34.9612 17.0264 6.61401 -17.0693 7.29484 35.9048 TIMING: 2113200 CPU: 6311.31, 0.00297936/step Wall: 6311.31, 0.00297936/step, 2.38912 hours remaining, 206.714844 MB of memory in use. ENERGY: 2113200 754.4396 2109.4597 1937.5936 112.8911 -205936.0900 17622.8706 0.0000 0.0000 34302.9735 -149095.8618 299.5764 -183398.8353 -149002.4002 299.5676 -243.3662 -207.3585 559527.9196 -2.7954 -2.6425 PRESSURE: 2113400 -31.5309 6.00828 -58.4712 6.00882 -163.959 61.792 -58.4709 61.7918 -207.888 GPRESSURE: 2113400 -55.9258 -25.8369 32.4917 -10.8227 -73.1362 216.675 -79.5585 -8.83092 -179.962 PRESSAVG: 2113400 46.9909 -8.26703 -15.0672 -8.26706 6.16591 -2.49509 -15.0672 -2.49508 -27.5558 GPRESSAVG: 2113400 47.0713 -7.51468 -17.8416 -9.79964 6.54606 -2.04044 -13.9274 -3.8474 -27.6922 TIMING: 2113400 CPU: 6311.9, 0.00297812/step Wall: 6311.9, 0.00297812/step, 2.38796 hours remaining, 206.714844 MB of memory in use. ENERGY: 2113400 769.9336 2078.1660 1936.0743 109.9688 -205843.4930 17556.4921 0.0000 0.0000 34299.6499 -149093.2084 299.5474 -183392.8582 -148995.5803 299.2884 -134.4592 -103.0079 558533.7373 8.5337 8.6417 PRESSURE: 2113600 -16.268 128.671 187.709 128.672 5.95351 -65.0692 187.709 -65.0697 98.9633 GPRESSURE: 2113600 14.8496 222.752 165.279 35.4598 18.878 -65.3117 139.942 -110.165 154.711 PRESSAVG: 2113600 27.1108 -7.21975 -0.443293 -7.21972 -26.604 -11.8426 -0.443241 -11.8426 -23.495 GPRESSAVG: 2113600 26.561 -6.84607 -0.515041 -8.10539 -25.3781 -13.2997 -1.05031 -9.17414 -23.9305 TIMING: 2113600 CPU: 6312.5, 0.00296906/step Wall: 6312.5, 0.00296906/step, 2.38053 hours remaining, 206.714844 MB of memory in use. ENERGY: 2113600 713.0340 2057.4956 1921.1375 110.7390 -206108.5610 17808.8894 0.0000 0.0000 34247.5044 -149249.7611 299.0920 -183497.2655 -149158.3440 299.4135 29.5496 62.8128 558351.7424 -7.6627 -7.5825 PRESSURE: 2113800 125.336 89.6658 -5.34947 89.666 -356.509 -8.48004 -5.34966 -8.48141 31.6512 GPRESSURE: 2113800 172.463 87.909 -21.494 87.5454 -362.21 -35.0666 21.7352 9.18672 86.9615 PRESSAVG: 2113800 66.9055 -21.9929 -69.2423 -21.993 -91.8746 43.2271 -69.2424 43.227 6.48837 GPRESSAVG: 2113800 67.0689 -22.8211 -67.4396 -19.7181 -91.6105 43.4171 -69.728 43.3882 6.10924 TIMING: 2113800 CPU: 6313.1, 0.00298476/step Wall: 6313.1, 0.00298476/step, 2.39295 hours remaining, 206.714844 MB of memory in use. ENERGY: 2113800 765.5642 2078.9471 1901.4962 124.0300 -205806.0198 17449.8619 0.0000 0.0000 34244.4264 -149241.6941 299.0651 -183486.1204 -149145.7565 298.8223 -66.5072 -34.2618 557952.9667 -6.1602 -6.1441 PRESSURE: 2114000 -349.675 10.7223 12.0758 10.721 -150.017 -5.56705 12.0763 -5.56607 313.511 GPRESSURE: 2114000 -320.119 81.6873 28.2536 -26.0143 -90.293 -39.035 88.2253 -59.3548 317.859 PRESSAVG: 2114000 99.3983 -17.9755 -24.1153 -17.9756 -120.987 21.0372 -24.1154 21.0372 42.3331 GPRESSAVG: 2114000 99.9829 -17.3183 -23.6216 -20.8223 -122.417 22.648 -23.5691 19.1238 43.4076 TIMING: 2114000 CPU: 6313.69, 0.00296452/step Wall: 6313.69, 0.00296452/step, 2.37655 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2114000 687.4385 2100.1931 1942.0587 120.8568 -205439.1983 17379.1078 0.0000 0.0000 34076.7100 -149132.8334 297.6004 -183209.5433 -149039.3541 299.8060 -62.0603 -30.8509 557025.3296 6.9148 6.9910 PRESSURE: 2114200 -168.595 92.1968 31.7964 92.1977 -82.1815 93.5449 31.796 93.545 -196.614 GPRESSURE: 2114200 -142.439 109.408 28.9464 119.566 -64.7511 115.652 149.541 66.8712 -148.408 PRESSAVG: 2114200 7.30083 29.8888 3.80466 29.8887 -71.4793 -2.28268 3.80466 -2.2827 37.4485 GPRESSAVG: 2114200 6.09857 28.9702 3.75955 32.3886 -70.9052 -3.80283 2.29787 -2.26106 37.6392 TIMING: 2114200 CPU: 6314.28, 0.00296963/step Wall: 6314.28, 0.00296963/step, 2.38049 hours remaining, 206.714844 MB of memory in use. ENERGY: 2114200 726.2503 2130.5769 1912.6881 109.7731 -205857.6881 17528.8526 0.0000 0.0000 34336.7938 -149112.7533 299.8718 -183449.5471 -149002.1568 299.5783 -149.1300 -118.5325 558706.1663 -8.9100 -9.0558 PRESSURE: 2114400 194.199 46.7917 -75.3181 46.7921 29.2875 313.407 -75.3181 313.406 77.4844 GPRESSURE: 2114400 220.014 66.6459 -162.662 19.347 78.2308 274.854 -76.6636 269.786 98.8795 PRESSAVG: 2114400 38.1584 -0.335325 30.9665 -0.335353 -23.2077 -35.0735 30.9665 -35.0735 -22.1029 GPRESSAVG: 2114400 39.7094 -1.84801 30.2664 -0.617189 -24.0652 -33.8964 30.8914 -36.0803 -22.4154 TIMING: 2114400 CPU: 6314.88, 0.00297636/step Wall: 6314.88, 0.00297636/step, 2.38572 hours remaining, 206.714844 MB of memory in use. ENERGY: 2114400 732.2085 2143.8850 1925.4318 108.2499 -206179.5359 18044.2921 0.0000 0.0000 34150.6745 -149074.7942 298.2463 -183225.4687 -148980.0880 299.2104 100.3238 132.3749 557928.3842 -2.3840 -2.2571 PRESSURE: 2114600 40.9663 128.931 -53.0479 128.932 -136.974 55.7765 -53.0486 55.7771 116.932 GPRESSURE: 2114600 75.7614 68.1958 -70.515 187.518 -119.882 72.1192 -12.9219 -45.0489 155.225 PRESSAVG: 2114600 -27.7931 22.706 -21.9722 22.7061 38.0509 43.2775 -21.9721 43.2775 -29.816 GPRESSAVG: 2114600 -28.3336 24.4303 -23.4398 22.8265 39.3357 42.6112 -20.6816 45.1985 -30.3439 TIMING: 2114600 CPU: 6315.47, 0.0029686/step Wall: 6315.47, 0.0029686/step, 2.37933 hours remaining, 206.714844 MB of memory in use. ENERGY: 2114600 729.9920 2078.5392 1918.2135 109.0165 -206253.9069 17815.3334 0.0000 0.0000 34277.5136 -149325.2986 299.3541 -183602.8123 -149233.3856 299.6593 6.9749 37.0348 556758.9486 -6.5194 -6.4473 PRESSURE: 2114800 9.98833 -97.7507 -43.1979 -97.7495 68.9029 27.7348 -43.1968 27.7354 38.7458 GPRESSURE: 2114800 99.7472 -167.719 -95.9915 -25.366 94.0987 35.9979 -74.0686 57.5335 8.46418 PRESSAVG: 2114800 23.5005 23.1479 -1.23305 23.1479 53.4751 -9.11237 -1.23305 -9.1124 -53.5512 GPRESSAVG: 2114800 24.3317 22.1235 -2.58664 23.6092 52.9919 -8.6626 0.932092 -9.2674 -53.8455 TIMING: 2114800 CPU: 6316.06, 0.00296576/step Wall: 6316.06, 0.00296576/step, 2.37689 hours remaining, 206.714844 MB of memory in use. ENERGY: 2114800 714.9585 2195.8643 1911.4634 112.1994 -206512.1052 17843.1346 0.0000 0.0000 34340.0720 -149394.4130 299.9004 -183734.4850 -149298.3542 298.7704 39.2124 67.4367 556302.7267 7.8082 7.8261 PRESSURE: 2115000 52.1448 -30.1688 184.712 -30.1696 -66.4683 -64.6672 184.712 -64.6677 59.908 GPRESSURE: 2115000 26.2473 -23.9994 55.0624 -29.3296 -14.8754 47.5029 179.682 -137.223 123.746 PRESSAVG: 2115000 -32.6822 32.1443 10.9644 32.1444 33.2095 -26.5599 10.9645 -26.5598 57.9819 GPRESSAVG: 2115000 -33.6322 33.3837 12.6609 31.5033 32.3276 -26.47 8.51575 -27.3543 59.3767 TIMING: 2115000 CPU: 6316.66, 0.0029927/step Wall: 6316.66, 0.0029927/step, 2.39832 hours remaining, 206.714844 MB of memory in use. ENERGY: 2115000 748.1996 2093.7521 1935.2529 117.7718 -206465.5227 17812.0216 0.0000 0.0000 34140.9372 -149617.5875 298.1613 -183758.5247 -149522.2090 299.0861 15.1948 45.0394 556285.2882 19.5031 19.3574 PRESSURE: 2115200 193.515 -48.1645 157.225 -48.1647 -198.338 148.18 157.223 148.18 -32.9724 GPRESSURE: 2115200 208.063 -93.357 104.937 -30.3012 -191.55 127.821 179.007 252.799 27.624 PRESSAVG: 2115200 9.95105 -7.86352 25.8098 -7.86362 13.1453 3.79857 25.8099 3.79852 -4.28301 GPRESSAVG: 2115200 10.4099 -9.10745 25.3743 -7.83166 15.2734 3.47445 29.5645 4.00419 -6.07877 TIMING: 2115200 CPU: 6317.26, 0.00299059/step Wall: 6317.26, 0.00299059/step, 2.39646 hours remaining, 206.714844 MB of memory in use. ENERGY: 2115200 714.2301 2084.1501 1926.4635 111.1686 -206189.0407 17732.0219 0.0000 0.0000 34237.3342 -149383.6724 299.0032 -183621.0066 -149281.9375 298.3540 -12.5986 14.7122 556410.1061 6.2711 6.5349 PRESSURE: 2115400 223.583 58.2085 -155.769 58.2091 22.9826 -98.5752 -155.77 -98.5757 -33.7964 GPRESSURE: 2115400 283.639 15.3845 -168.553 52.5382 8.61313 -60.8121 -139.575 -18.8446 13.5262 PRESSAVG: 2115400 -19.2584 10.1791 14.1213 10.1791 58.6657 20.0364 14.1212 20.0364 -11.3141 GPRESSAVG: 2115400 -18.8394 11.3101 16.0884 9.27995 56.6669 20.3406 11.5908 18.9691 -9.24405 TIMING: 2115400 CPU: 6317.85, 0.00296292/step Wall: 6317.85, 0.00296292/step, 2.37412 hours remaining, 206.714844 MB of memory in use. ENERGY: 2115400 754.9426 2151.5878 1933.1229 110.7275 -206096.0045 17689.2142 0.0000 0.0000 34252.7637 -149203.6459 299.1379 -183456.4096 -149105.3726 299.1770 70.9230 101.9260 555276.6026 9.3644 9.5278 PRESSURE: 2115600 -165.656 105.095 170.244 105.095 -138.995 101.045 170.242 101.045 -139.853 GPRESSURE: 2115600 -82.9541 72.266 213.414 151.067 -138.155 141.673 201.601 45.0806 -129.177 PRESSAVG: 2115600 -7.89079 42.8247 -4.19178 42.8247 -65.5412 7.1584 -4.19165 7.15838 -3.49473 GPRESSAVG: 2115600 -8.25897 43.1532 -4.33073 45.1021 -63.7407 7.74968 -4.54205 8.63439 -4.71576 TIMING: 2115600 CPU: 6318.45, 0.00295685/step Wall: 6318.45, 0.00295685/step, 2.36909 hours remaining, 206.714844 MB of memory in use. ENERGY: 2115600 720.3280 2198.3823 1902.6152 115.4854 -205523.5694 17455.2973 0.0000 0.0000 34226.1150 -148905.3463 298.9052 -183131.4613 -148810.5086 299.7509 -148.1679 -116.7621 557225.4516 -25.6422 -25.5718 PRESSURE: 2115800 30.2631 -150.168 120.075 -150.168 1.43641 -56.2243 120.074 -56.2246 -159.903 GPRESSURE: 2115800 32.8176 -154.134 121.971 -182.348 84.2018 -58.8213 -15.0914 -103.627 -141.695 PRESSAVG: 2115800 -17.5937 -13.3995 37.0802 -13.3996 -3.14375 -22.6394 37.0802 -22.6394 24.9633 GPRESSAVG: 2115800 -17.8788 -14.0366 36.9065 -13.6791 -3.23962 -22.0668 36.7099 -23.8114 25.2708 TIMING: 2115800 CPU: 6319.04, 0.00299014/step Wall: 6319.04, 0.00299014/step, 2.3956 hours remaining, 206.714844 MB of memory in use. ENERGY: 2115800 771.0777 2122.4499 1908.3944 104.8637 -205991.8661 17842.6321 0.0000 0.0000 34529.2253 -148713.2231 301.5523 -183242.4483 -148612.5029 301.1852 -42.7344 -8.2251 557519.3802 1.4086 1.3841 PRESSURE: 2116000 43.1711 -88.1583 106.101 -88.1591 212.609 10.805 106.101 10.8048 420.048 GPRESSURE: 2116000 53.2283 -95.8591 60.1278 -95.0658 279.447 54.6705 186.63 61.4146 450.662 PRESSAVG: 2116000 -5.30827 -47.3338 12.1715 -47.3338 -0.944458 -25.0293 12.1714 -25.0292 58.3699 GPRESSAVG: 2116000 -5.11026 -47.9901 12.2366 -47.4968 -1.23693 -26.5425 13.3967 -23.0119 58.6008 TIMING: 2116000 CPU: 6319.64, 0.00300186/step Wall: 6319.64, 0.00300186/step, 2.40483 hours remaining, 206.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2116000 691.6059 2086.4321 1931.9382 104.0647 -206244.9216 18233.7073 0.0000 0.0000 34373.1799 -148823.9936 300.1895 -183197.1735 -148724.9839 301.5509 225.2761 261.1124 558420.6614 17.3724 17.4179 PRESSURE: 2116200 -180.933 -150.605 -111.747 -150.604 -109.329 -171.704 -111.746 -171.703 -187.983 GPRESSURE: 2116200 -241.458 -206.463 -49.4271 -152.549 -61.8151 -95.5001 -196.201 -256.994 -99.4141 PRESSAVG: 2116200 -23.5376 -86.3083 42.5583 -86.3083 -0.697114 -22.1927 42.5583 -22.1927 37.62 GPRESSAVG: 2116200 -24.0416 -84.7064 41.4448 -89.2415 -0.407358 -21.0907 39.9122 -24.113 37.8476 TIMING: 2116200 CPU: 6320.24, 0.00298721/step Wall: 6320.24, 0.00298721/step, 2.39292 hours remaining, 206.835938 MB of memory in use. ENERGY: 2116200 775.2759 2061.8782 1934.2151 106.0738 -205720.6594 17591.4169 0.0000 0.0000 34470.8549 -148780.9447 301.0425 -183251.7996 -148685.2307 301.0607 -159.4152 -134.2290 557421.7838 4.4617 4.4662 LDB: ============= START OF LOAD BALANCING ============== 6323.79 LDB: ============== END OF LOAD BALANCING =============== 6323.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6323.79 LDB: ============= START OF LOAD BALANCING ============== 6324.09 LDB: Largest compute 4773 load 0.030751 is 26.0% of average load 0.118204 LDB: Average compute 0.001729 is 1.5% of average load 0.118204 LDB: TIME 6324.09 LOAD: AVG 0.118204 MAX 0.205492 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.121 MB LDB: TIME 6324.09 LOAD: AVG 0.118204 MAX 0.205492 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: TIME 6324.09 LOAD: AVG 0.118204 MAX 0.205492 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: ============== END OF LOAD BALANCING =============== 6324.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6324.1 PRESSURE: 2116400 -110.767 -67.7611 109.888 -67.7614 8.79144 -134.739 109.889 -134.739 -155.789 GPRESSURE: 2116400 -100.91 -55.5682 116.845 -102.196 5.07568 -128.48 66.5104 -154.328 -59.627 PRESSAVG: 2116400 -21.3762 -7.94914 3.29622 -7.94913 -25.1125 -44.6251 3.29611 -44.6252 -25.2525 GPRESSAVG: 2116400 -21.3653 -8.28764 4.21263 -6.19472 -24.7853 -45.107 4.42269 -45.2572 -25.232 TIMING: 2116400 CPU: 6320.85, 0.00304/step Wall: 6320.85, 0.00304/step, 2.43504 hours remaining, 207.222656 MB of memory in use. ENERGY: 2116400 743.8609 2120.2006 1913.5582 114.9833 -205912.5268 17748.4545 0.0000 0.0000 34418.3572 -148853.1120 300.5841 -183271.4692 -148751.2907 300.5066 -85.9215 -51.8204 558168.3299 -23.9137 -23.7942 PRESSURE: 2116600 -27.6851 -77.1851 18.6036 -77.1856 111.929 57.2805 18.6036 57.2806 -264.983 GPRESSURE: 2116600 70.2622 -136.919 -17.7192 -147.323 129.835 66.1659 39.1831 30.0624 -277.667 PRESSAVG: 2116600 51.0105 15.0789 49.3812 15.0789 6.76148 -55.2533 49.3813 -55.2533 -27.5689 GPRESSAVG: 2116600 52.066 17.6026 51.0598 13.996 4.58066 -56.3661 48.7022 -52.8594 -26.7178 TIMING: 2116600 CPU: 6321.45, 0.00298249/step Wall: 6321.45, 0.00298249/step, 2.38881 hours remaining, 207.222656 MB of memory in use. ENERGY: 2116600 742.5181 2105.8766 1934.6543 112.8937 -205686.0058 17638.4182 0.0000 0.0000 34305.5320 -148846.1129 299.5987 -183151.6448 -148746.8941 300.3792 -60.2463 -25.8564 559769.0314 10.0677 9.9763 PRESSURE: 2116800 -197.877 218.297 -87.5529 218.297 -187.502 -28.4244 -87.5536 -28.4243 -352.721 GPRESSURE: 2116800 -185.132 224.995 -95.6592 205.156 -149.404 -130.528 -111.515 11.3258 -299.747 PRESSAVG: 2116800 -11.3189 52.1079 36.1755 52.1079 2.33478 -29.3624 36.1754 -29.3624 -32.7978 GPRESSAVG: 2116800 -11.4107 48.6264 35.4065 54.4005 3.73019 -29.02 35.9851 -30.6828 -34.3301 TIMING: 2116800 CPU: 6322.04, 0.00298274/step Wall: 6322.04, 0.00298274/step, 2.38884 hours remaining, 207.222656 MB of memory in use. ENERGY: 2116800 804.5374 2136.2291 1931.4928 108.5769 -205685.9038 17542.4280 0.0000 0.0000 34304.3929 -148858.2465 299.5888 -183162.6394 -148752.2002 299.4429 -246.0333 -211.4278 559257.9274 -13.9273 -14.0035 PRESSURE: 2117000 -51.027 68.9261 114.494 68.9262 84.8365 108.141 114.495 108.141 -2.0128 GPRESSURE: 2117000 14.5167 105.961 89.6678 -23.2937 94.7146 97.9707 109.259 137.875 14.7664 PRESSAVG: 2117000 24.079 14.6499 40.4422 14.65 4.07119 -20.7327 40.4422 -20.7329 -13.6739 GPRESSAVG: 2117000 23.3191 15.606 40.4163 12.9717 4.62983 -21.2479 41.7226 -20.257 -13.4669 TIMING: 2117000 CPU: 6322.64, 0.00297257/step Wall: 6322.64, 0.00297257/step, 2.38053 hours remaining, 207.222656 MB of memory in use. ENERGY: 2117000 771.9440 2048.8161 1933.5559 100.8580 -206074.8310 17679.0690 0.0000 0.0000 34553.5908 -148986.9973 301.7651 -183540.5880 -148891.2221 300.1659 10.5989 41.3326 556939.9944 4.8254 4.8273 PRESSURE: 2117200 -247.854 58.5127 -68.9061 58.5127 -30.5667 -35.4383 -68.9063 -35.4385 84.061 GPRESSURE: 2117200 -162.414 113.751 -84.8014 -22.3857 -57.6241 -10.8064 -132.009 -81.5006 127.073 PRESSAVG: 2117200 9.0966 55.0872 51.4786 55.0872 -13.8842 28.3236 51.4787 28.3236 -9.72372 GPRESSAVG: 2117200 9.00547 55.8272 50.9766 52.5641 -14.3745 30.9737 51.7358 27.437 -8.91991 TIMING: 2117200 CPU: 6323.24, 0.00299331/step Wall: 6323.24, 0.00299331/step, 2.39698 hours remaining, 207.222656 MB of memory in use. ENERGY: 2117200 746.3578 2101.5447 1923.5506 115.5578 -205793.5614 17676.3419 0.0000 0.0000 34138.1556 -149092.0531 298.1370 -183230.2087 -149000.9127 299.4787 -64.7864 -30.9886 557969.5054 -4.8371 -4.7630 PRESSURE: 2117400 -53.4013 -169.746 -91.5191 -169.744 -136.562 -141.959 -91.5206 -141.96 -170.813 GPRESSURE: 2117400 -17.0815 -119.438 -47.411 -115.819 -108.813 -125.134 -178.596 -148.664 -130.412 PRESSAVG: 2117400 -12.4692 8.46215 -15.045 8.4622 1.75982 -3.99914 -15.045 -3.99917 -20.6158 GPRESSAVG: 2117400 -12.6363 7.3353 -16.1464 10.4187 1.327 -3.87116 -16.9034 -5.30256 -20.174 TIMING: 2117400 CPU: 6323.83, 0.0029863/step Wall: 6323.83, 0.0029863/step, 2.39119 hours remaining, 207.222656 MB of memory in use. ENERGY: 2117400 709.3489 2053.8745 1924.0254 105.7437 -205756.9490 17421.0480 0.0000 0.0000 34319.6489 -149223.2595 299.7220 -183542.9084 -149123.2889 299.3264 -120.2590 -85.4354 557369.5805 -10.4417 -10.4944 PRESSURE: 2117600 -68.2312 93.3344 5.83459 93.3346 -188.311 40.7236 5.83482 40.7226 -57.2847 GPRESSURE: 2117600 -30.4807 93.0879 -30.7083 134.71 -171.133 33.5758 -14.0545 66.1828 -14.2673 PRESSAVG: 2117600 10.9695 -15.8619 3.04751 -15.8619 -21.8165 14.9376 3.04754 14.9376 41.7902 GPRESSAVG: 2117600 11.3723 -14.5368 1.23255 -15.7903 -20.7489 12.0111 1.80982 17.3353 40.2192 TIMING: 2117600 CPU: 6324.43, 0.00297788/step Wall: 6324.43, 0.00297788/step, 2.38429 hours remaining, 207.222656 MB of memory in use. ENERGY: 2117600 705.5813 2035.5840 1947.6946 107.4701 -205845.3924 17504.7246 0.0000 0.0000 34355.8810 -149188.4569 300.0385 -183544.3379 -149095.9359 299.5414 -104.6089 -71.9604 557110.6209 10.3144 10.2809 PRESSURE: 2117800 50.764 -116.686 -10.1696 -116.686 -119.379 165.961 -10.1689 165.963 -142.298 GPRESSURE: 2117800 61.1829 -116.706 55.4991 -204.827 -56.2544 125.504 11.3938 189.85 -123.147 PRESSAVG: 2117800 -30.7929 -27.1158 57.3373 -27.1158 55.9928 -10.2484 57.3373 -10.2484 1.6173 GPRESSAVG: 2117800 -30.7013 -26.7572 59.3683 -26.6686 56.3096 -10.6143 59.1866 -10.6115 1.48922 TIMING: 2117800 CPU: 6325.02, 0.00297183/step Wall: 6325.02, 0.00297183/step, 2.37928 hours remaining, 207.222656 MB of memory in use. ENERGY: 2117800 764.1875 2067.6330 1942.0579 117.0352 -206097.9973 17607.0552 0.0000 0.0000 34395.2876 -149204.7408 300.3826 -183600.0284 -149114.7322 299.5440 -70.3045 -39.4062 555763.7202 8.9391 9.0325 PRESSURE: 2118000 -175.461 -111.731 68.5939 -111.732 -491.169 73.4887 68.5944 73.4894 -280.24 GPRESSURE: 2118000 -97.083 -162.894 98.7341 -44.3619 -469.851 89.6914 46.2154 54.745 -270.982 PRESSAVG: 2118000 -4.26148 -7.33692 28.3918 -7.337 -13.9431 11.9684 28.3918 11.9685 -25.9301 GPRESSAVG: 2118000 -4.43512 -8.08192 28.2586 -6.53737 -14.8378 14.235 29.6926 12.0219 -24.9878 TIMING: 2118000 CPU: 6325.62, 0.00296648/step Wall: 6325.62, 0.00296648/step, 2.37483 hours remaining, 207.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2118000 774.6892 2115.1149 1929.5229 107.6596 -205802.6715 17419.7711 0.0000 0.0000 34246.5189 -149209.3947 299.0834 -183455.9136 -149118.8992 298.5297 -315.6237 -279.3051 557642.8899 -14.7116 -14.7536 PRESSURE: 2118200 -217.465 -51.8954 4.49909 -51.8955 -274.47 -157.09 4.49984 -157.092 -56.774 GPRESSURE: 2118200 -183.982 -45.1581 -46.0453 -103.404 -202.239 -150.65 -4.46965 -174.847 -77.2363 PRESSAVG: 2118200 13.8347 -12.0104 16.9742 -12.0103 5.37391 1.6665 16.9742 1.66657 7.57177 GPRESSAVG: 2118200 12.4036 -11.5482 17.8791 -12.2965 6.34314 0.882097 16.3023 2.0812 7.88306 TIMING: 2118200 CPU: 6326.21, 0.00298057/step Wall: 6326.21, 0.00298057/step, 2.38595 hours remaining, 207.222656 MB of memory in use. ENERGY: 2118200 758.3431 2088.5861 1927.8952 108.0812 -205761.8544 17415.5324 0.0000 0.0000 34272.7591 -149190.6574 299.3125 -183463.4165 -149095.2227 298.9562 -182.9028 -154.4858 558139.2423 8.9268 8.8766 PRESSURE: 2118400 -157.868 -16.1541 -128.528 -16.1529 -33.475 -101.82 -128.529 -101.819 -290.668 GPRESSURE: 2118400 -158.938 -20.0379 -101.714 23.4103 -13.4026 -25.5714 -56.8742 -133.846 -201.66 PRESSAVG: 2118400 12.0846 28.9829 5.8441 28.983 -22.7188 26.0775 5.84407 26.0775 9.82979 GPRESSAVG: 2118400 13.293 28.9775 5.44882 28.5206 -23.38 26.5383 8.28118 25.3792 10.1743 TIMING: 2118400 CPU: 6326.8, 0.00295546/step Wall: 6326.8, 0.00295546/step, 2.36568 hours remaining, 207.222656 MB of memory in use. ENERGY: 2118400 766.7309 2073.2523 1923.0698 120.8025 -205862.0755 17442.7518 0.0000 0.0000 34311.5793 -149223.8890 299.6516 -183535.4683 -149117.2080 300.2707 -160.6705 -124.6669 556474.7264 -0.2681 0.0291 PRESSURE: 2118600 100.749 94.9481 111.756 94.9479 151.954 -109.353 111.756 -109.352 287.959 GPRESSURE: 2118600 177.186 -25.6382 113.519 121.158 179.621 -72.9759 74.398 -155.362 277.827 PRESSAVG: 2118600 66.6176 0.950817 25.6336 0.950882 -61.0677 -26.3656 25.6337 -26.3657 24.8672 GPRESSAVG: 2118600 66.036 0.311078 23.2327 2.64816 -59.5803 -26.3762 24.7393 -27.6974 24.0485 TIMING: 2118600 CPU: 6327.39, 0.00294862/step Wall: 6327.39, 0.00294862/step, 2.36005 hours remaining, 207.222656 MB of memory in use. ENERGY: 2118600 737.0942 2086.9413 1921.4763 102.5821 -206231.6808 18019.8283 0.0000 0.0000 34386.2968 -148977.4618 300.3041 -183363.7586 -148885.5999 300.0716 180.2210 211.5451 555957.2460 10.1390 10.1681 PRESSURE: 2118800 41.7857 -199.956 -12.4633 -199.955 -265.507 -5.71007 -12.4634 -5.70962 67.4068 GPRESSURE: 2118800 46.9091 -232.531 -104.455 -193.264 -227.002 104.575 -29.2875 -4.03819 118.245 PRESSAVG: 2118800 -19.5849 -22.0234 79.7303 -22.0234 -22.6176 -4.15374 79.7303 -4.1536 86.6443 GPRESSAVG: 2118800 -19.1057 -19.519 82.8484 -25.3573 -24.3658 -3.52529 76.8695 -4.39698 87.3883 TIMING: 2118800 CPU: 6327.99, 0.00296255/step Wall: 6327.99, 0.00296255/step, 2.37102 hours remaining, 207.222656 MB of memory in use. ENERGY: 2118800 778.1038 2120.0398 1937.7501 114.8726 -205741.0175 17675.9945 0.0000 0.0000 34199.3250 -148914.9318 298.6712 -183114.2568 -148820.6355 300.0312 -52.1048 -20.6160 557528.9976 14.8139 14.6389 PRESSURE: 2119000 -132.619 -123.669 48.1777 -123.669 -86.5509 68.8117 48.1775 68.8123 61.9514 GPRESSURE: 2119000 -128.989 -129.426 41.4301 -102.87 -56.9167 62.9428 23.1552 89.2885 137.766 PRESSAVG: 2119000 41.8681 45.5679 -24.0913 45.5679 -35.8672 22.1217 -24.0914 22.1217 33.5844 GPRESSAVG: 2119000 41.395 45.7963 -25.9113 47.1792 -35.5008 22.6138 -23.0706 23.431 33.4219 TIMING: 2119000 CPU: 6328.58, 0.00296593/step Wall: 6328.58, 0.00296593/step, 2.37357 hours remaining, 207.222656 MB of memory in use. ENERGY: 2119000 738.8844 2114.7615 1936.5557 107.8290 -205756.8560 17573.0334 0.0000 0.0000 34304.2909 -148981.5010 299.5879 -183285.7919 -148887.1583 301.0414 -52.4062 -16.0466 557700.6749 13.1951 13.1054 PRESSURE: 2119200 -14.6335 -40.4033 96.176 -40.4027 3.8268 -150.475 96.1748 -150.477 -252.879 GPRESSURE: 2119200 52.7404 -70.3074 52.9678 12.5144 59.3544 -121.043 91.285 -151.907 -276.074 PRESSAVG: 2119200 -2.19306 -16.4837 37.2984 -16.4836 -4.9492 18.0985 37.2984 18.0986 -12.6286 GPRESSAVG: 2119200 -2.11406 -19.4468 37.1107 -14.8089 -4.80327 16.7159 37.4544 16.064 -12.5336 TIMING: 2119200 CPU: 6329.17, 0.00296124/step Wall: 6329.17, 0.00296124/step, 2.36965 hours remaining, 207.222656 MB of memory in use. ENERGY: 2119200 740.0634 2080.4853 1888.5315 106.4039 -206072.3578 17713.7668 0.0000 0.0000 34211.1109 -149331.9960 298.7741 -183543.1069 -149232.8941 299.8592 -87.8951 -54.6597 558551.4550 -6.5903 -6.4837 PRESSURE: 2119400 -21.945 77.1094 -51.0424 77.1092 -420.775 -47.6201 -51.0416 -47.6202 -249.935 GPRESSURE: 2119400 -14.5105 24.8726 -23.6722 78.9435 -365.973 1.27591 -48.3092 26.6212 -189.192 PRESSAVG: 2119400 56.2934 -41.6018 34.7457 -41.6019 14.5124 70.0796 34.7457 70.0797 -43.1847 GPRESSAVG: 2119400 56.0133 -40.1177 35.0778 -43.8567 14.3119 70.3147 36.3626 71.8378 -42.7194 TIMING: 2119400 CPU: 6329.77, 0.00297508/step Wall: 6329.77, 0.00297508/step, 2.38056 hours remaining, 207.222656 MB of memory in use. ENERGY: 2119400 743.1067 2096.7670 1913.4447 105.7101 -205747.5225 17506.8985 0.0000 0.0000 34212.4598 -149169.1356 298.7859 -183381.5954 -149077.9143 299.4489 -230.8851 -189.8919 558633.8497 9.2070 9.2019 PRESSURE: 2119600 213.896 112.82 91.4185 112.82 130.149 -143.66 91.4181 -143.661 -199.893 GPRESSURE: 2119600 226.878 122.398 49.5426 58.9756 146.403 -28.5369 134.751 -140.565 -128.334 PRESSAVG: 2119600 -10.4193 31.8651 23.8932 31.8651 27.5182 11.1679 23.8931 11.1679 -23.5767 GPRESSAVG: 2119600 -10.6319 30.873 23.3401 32.5003 28.1019 11.4062 22.778 12.0779 -23.7174 TIMING: 2119600 CPU: 6330.36, 0.00297812/step Wall: 6330.36, 0.00297812/step, 2.38283 hours remaining, 207.222656 MB of memory in use. ENERGY: 2119600 779.3874 2103.6623 1904.7469 123.8402 -206344.6290 17963.9799 0.0000 0.0000 34299.1083 -149169.9040 299.5426 -183469.0123 -149079.6204 298.6510 48.0507 81.6489 557030.5124 -2.1593 -2.0825 PRESSURE: 2119800 0.423129 55.7424 -74.436 55.7407 -132.042 -38.3472 -74.4363 -38.3479 -44.5858 GPRESSURE: 2119800 59.844 2.81659 -129.292 56.2618 -61.0475 -50.8356 4.04931 -34.4507 -82.7676 PRESSAVG: 2119800 79.016 1.0552 15.2131 1.05519 -59.729 31.4959 15.2131 31.4959 -77.7162 GPRESSAVG: 2119800 79.3542 1.08334 17.0217 0.855686 -58.9984 32.3621 15.2887 28.7796 -78.5163 TIMING: 2119800 CPU: 6330.95, 0.00294868/step Wall: 6330.95, 0.00294868/step, 2.35911 hours remaining, 207.222656 MB of memory in use. ENERGY: 2119800 785.8983 2064.1953 1922.5107 111.2737 -206189.1095 17819.0984 0.0000 0.0000 34227.2703 -149258.8628 298.9153 -183486.1331 -149164.4883 299.0700 -58.7348 -27.9904 556946.3466 -19.4764 -19.3868 PRESSURE: 2120000 -161.324 11.0403 -26.1785 11.04 -230.077 135.652 -26.1775 135.651 -201.828 GPRESSURE: 2120000 -149.132 -48.0913 -50.3951 162.866 -186.35 121.382 -10.0626 113.771 -155.62 PRESSAVG: 2120000 -54.2193 49.3077 -6.44847 49.3077 10.9462 9.1199 -6.44853 9.11993 2.82589 GPRESSAVG: 2120000 -54.1379 49.2602 -7.94331 48.6687 9.96494 6.92915 -6.27969 12.749 4.26987 TIMING: 2120000 CPU: 6331.54, 0.00295622/step Wall: 6331.54, 0.00295622/step, 2.36498 hours remaining, 207.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2120000 786.4989 2111.0457 1902.5272 114.3318 -206055.9259 17580.5316 0.0000 0.0000 34227.5596 -149333.4311 298.9178 -183560.9907 -149243.3770 299.5080 -197.7428 -163.7005 557151.3217 -13.4824 -13.3010 PRESSURE: 2120200 -292.087 -56.8417 129.969 -56.8413 -322.695 -125.329 129.97 -125.33 -5.2514 GPRESSURE: 2120200 -253.606 -103.266 123.589 -45.9093 -329.735 -247.477 104.993 -59.1314 68.1895 PRESSAVG: 2120200 13.5274 33.8993 20.0718 33.8993 -8.29469 -18.3551 20.0717 -18.3553 -33.6231 GPRESSAVG: 2120200 14.2484 32.7199 21.4292 36.522 -8.02419 -17.4089 17.9947 -20.8308 -34.4385 TIMING: 2120200 CPU: 6332.14, 0.00299646/step Wall: 6332.14, 0.00299646/step, 2.397 hours remaining, 207.222656 MB of memory in use. ENERGY: 2120200 761.1640 2088.6233 1928.2033 113.6796 -206119.9186 17625.2931 0.0000 0.0000 34325.6965 -149277.2588 299.7748 -183602.9553 -149186.6311 299.2116 -206.6779 -171.7173 557868.9801 -9.4635 -9.4048 LDB: ============= START OF LOAD BALANCING ============== 6335.69 LDB: ============== END OF LOAD BALANCING =============== 6335.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6335.69 LDB: ============= START OF LOAD BALANCING ============== 6335.98 LDB: Largest compute 4773 load 0.028575 is 24.2% of average load 0.118224 LDB: Average compute 0.001719 is 1.5% of average load 0.118224 LDB: TIME 6335.99 LOAD: AVG 0.118224 MAX 0.203018 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 6335.99 LOAD: AVG 0.118224 MAX 0.203018 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: TIME 6335.99 LOAD: AVG 0.118224 MAX 0.203018 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: ============== END OF LOAD BALANCING =============== 6335.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6335.99 PRESSURE: 2120400 42.6469 -71.1858 82.2223 -71.1863 -139.555 13.7181 82.221 13.7173 99.6296 GPRESSURE: 2120400 54.2346 45.6882 124.428 -108.707 -105.668 148.695 -18.5708 -56.7436 152.306 PRESSAVG: 2120400 34.7263 3.79647 -13.7576 3.79638 -32.3829 -29.7753 -13.7576 -29.7753 -10.4017 GPRESSAVG: 2120400 33.8942 4.55442 -14.32 1.28705 -31.664 -30.5769 -12.5322 -27.8709 -10.6593 TIMING: 2120400 CPU: 6332.74, 0.00300812/step Wall: 6332.74, 0.00300812/step, 2.40616 hours remaining, 207.992188 MB of memory in use. ENERGY: 2120400 735.5826 2074.6156 1914.0016 118.5692 -206149.1303 17827.0224 0.0000 0.0000 34396.9209 -149082.4179 300.3969 -183479.3388 -148980.8376 299.3958 0.9070 33.6241 558079.9517 -2.6861 -2.8097 PRESSURE: 2120600 -103.615 -65.5369 33.4341 -65.5348 -23.7767 -172.452 33.4332 -172.451 204.273 GPRESSURE: 2120600 -5.59083 -52.4819 -35.075 -86.0183 -23.0913 -111.864 41.0954 -168.389 211.697 PRESSAVG: 2120600 46.5182 12.1097 5.97174 12.1098 -50.311 -2.21971 5.9718 -2.21977 21.1533 GPRESSAVG: 2120600 47.9213 13.0686 6.64388 13.148 -51.6454 -3.02916 5.88993 -2.20296 20.65 TIMING: 2120600 CPU: 6333.34, 0.00297454/step Wall: 6333.34, 0.00297454/step, 2.37914 hours remaining, 207.992188 MB of memory in use. ENERGY: 2120600 748.6041 2045.6592 1911.0164 120.3124 -205807.9422 17799.6091 0.0000 0.0000 34138.0717 -149044.6693 298.1363 -183182.7409 -148948.2119 299.4044 25.6273 61.0050 558795.1145 5.7868 5.6420 PRESSURE: 2120800 -33.1556 -95.9619 13.4996 -95.9628 -102.705 277.924 13.5013 277.925 -8.16282 GPRESSURE: 2120800 28.8321 -137.416 -45.0576 -68.5115 -95.2228 265.196 95.6791 269.006 17.1223 PRESSAVG: 2120800 1.49194 11.4602 23.1568 11.4602 -75.794 -16.9031 23.1569 -16.9031 104.11 GPRESSAVG: 2120800 -0.486092 11.7916 20.9781 13.3784 -74.6401 -13.78 24.9297 -18.7446 104.68 TIMING: 2120800 CPU: 6333.94, 0.00298685/step Wall: 6333.94, 0.00298685/step, 2.38881 hours remaining, 207.992188 MB of memory in use. ENERGY: 2120800 787.9346 2021.3636 1921.9810 117.8005 -206240.0400 17822.6942 0.0000 0.0000 34502.9426 -149065.3235 301.3228 -183568.2661 -148972.7540 299.8424 -48.0078 -16.4228 558718.7948 9.9359 9.8511 PRESSURE: 2121000 -239.202 112.964 273.662 112.963 -59.8947 -44.0669 273.661 -44.0679 -243.601 GPRESSURE: 2121000 -209.087 122.616 258.466 -6.1412 -27.5348 -137.54 292.133 -14.7021 -200.798 PRESSAVG: 2121000 -14.3458 -25.4297 84.6907 -25.4297 12.4631 -8.7547 84.6907 -8.75459 10.6436 GPRESSAVG: 2121000 -13.3439 -24.9917 87.329 -27.6076 11.8656 -10.5675 82.5582 -7.1027 9.9963 TIMING: 2121000 CPU: 6334.52, 0.00294671/step Wall: 6334.52, 0.00294671/step, 2.35655 hours remaining, 207.992188 MB of memory in use. ENERGY: 2121000 781.4457 2057.8220 1940.6756 120.4006 -206134.2204 17669.9768 0.0000 0.0000 34529.0702 -149034.8295 301.5510 -183563.8997 -148934.4497 300.2779 -180.8993 -145.8068 558617.4349 2.9203 2.8393 PRESSURE: 2121200 56.8033 -127.485 16.6968 -127.486 140.676 -59.5925 16.697 -59.5926 38.0906 GPRESSURE: 2121200 130.303 -127.431 19.059 -130.79 184.618 -37.4802 40.4497 7.31729 30.9102 PRESSAVG: 2121200 -36.0748 6.7076 6.95893 6.70764 33.0315 -41.1188 6.95895 -41.1188 22.0943 GPRESSAVG: 2121200 -36.0956 7.62947 5.35752 5.54128 32.1196 -41.128 8.90265 -41.2918 23.0866 TIMING: 2121200 CPU: 6335.12, 0.00295573/step Wall: 6335.12, 0.00295573/step, 2.3636 hours remaining, 207.992188 MB of memory in use. ENERGY: 2121200 754.8848 2035.8256 1921.5808 107.0253 -206026.3773 17876.9533 0.0000 0.0000 34452.3984 -148877.7090 300.8814 -183330.1074 -148780.0547 300.0248 78.5234 115.2769 556650.9287 6.3503 6.3702 PRESSURE: 2121400 -181.599 203.769 60.3002 203.77 -281.493 6.67859 60.3007 6.67683 -351.249 GPRESSURE: 2121400 -91.8466 215.099 46.9579 115.847 -278.441 48.6439 111.756 7.80878 -353.311 PRESSAVG: 2121400 -43.2543 -7.00655 -21.3405 -7.00648 -29.9814 -32.847 -21.3405 -32.847 36.6791 GPRESSAVG: 2121400 -42.8106 -6.3245 -20.3679 -5.77311 -29.9629 -33.421 -22.1747 -33.6562 36.5228 TIMING: 2121400 CPU: 6335.71, 0.0029469/step Wall: 6335.71, 0.0029469/step, 2.35637 hours remaining, 207.992188 MB of memory in use. ENERGY: 2121400 788.9372 2054.2248 1936.5942 124.2005 -205657.6674 17327.9189 0.0000 0.0000 34568.4048 -148857.3869 301.8945 -183425.7917 -148758.2895 300.3047 -271.4472 -241.1996 557024.4018 -12.1855 -12.0836 PRESSURE: 2121600 -110.365 105.982 -89.6169 105.982 -16.0444 26.9415 -89.6178 26.9412 -61.3516 GPRESSURE: 2121600 -68.2228 177.449 -191.291 61.5039 -51.5353 -7.33971 -75.6504 64.8827 18.6897 PRESSAVG: 2121600 -3.55288 4.48349 -32.9823 4.48347 -28.6016 -33.6964 -32.9823 -33.6964 56.9049 GPRESSAVG: 2121600 -4.05359 2.29183 -34.1701 4.1684 -28.8499 -33.74 -33.7433 -34.608 57.3601 TIMING: 2121600 CPU: 6336.3, 0.00295499/step Wall: 6336.3, 0.00295499/step, 2.36268 hours remaining, 207.992188 MB of memory in use. ENERGY: 2121600 733.4411 2076.0460 1920.4979 107.7070 -205599.4302 17615.5463 0.0000 0.0000 34329.9269 -148816.2648 299.8118 -183146.1917 -148726.8184 300.8103 -62.5871 -33.6895 557556.0099 8.2501 8.1522 PRESSURE: 2121800 -121.821 70.1739 50.9545 70.173 -84.7229 70.0923 50.9549 70.0925 210.611 GPRESSURE: 2121800 -121.96 177.704 93.6277 121.704 -21.7894 37.2575 48.0216 19.9946 245.919 PRESSAVG: 2121800 -24.0042 72.7462 -27.581 72.7462 13.3702 -12.3973 -27.581 -12.3973 24.2999 GPRESSAVG: 2121800 -23.4569 73.0605 -27.8711 73.9596 14.4158 -11.6107 -26.1035 -11.0216 23.3091 TIMING: 2121800 CPU: 6336.89, 0.00294844/step Wall: 6336.89, 0.00294844/step, 2.35728 hours remaining, 207.992188 MB of memory in use. ENERGY: 2121800 713.2943 2111.3867 1946.0363 128.2529 -205367.8505 17539.2909 0.0000 0.0000 34263.9813 -148665.6082 299.2359 -182929.5895 -148573.1688 300.9387 1.3557 34.0565 558097.1821 4.5553 4.7560 PRESSURE: 2122000 222.082 6.21884 -0.934729 6.21909 52.6445 -88.0453 -0.934445 -88.0454 440.067 GPRESSURE: 2122000 248.304 70.601 -26.9381 -11.0625 45.7702 -103.682 85.1121 -117.032 522.985 PRESSAVG: 2122000 -66.6261 23.7839 28.4683 23.784 -16.9872 -14.8668 28.4683 -14.8669 27.628 GPRESSAVG: 2122000 -67.7238 22.2838 28.4595 27.0275 -17.3727 -15.4047 29.9222 -15.9714 29.4651 TIMING: 2122000 CPU: 6337.47, 0.00294527/step Wall: 6337.47, 0.00294527/step, 2.35458 hours remaining, 207.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2122000 714.1792 2088.1047 1899.2497 103.8889 -205988.3734 17933.3342 0.0000 0.0000 34573.7160 -148675.9008 301.9409 -183249.6168 -148574.9737 301.2798 238.2644 272.3530 556133.5846 -18.6618 -18.5438 PRESSURE: 2122200 -126.676 252.729 82.8216 252.731 54.61 177.774 82.822 177.772 -30.0333 GPRESSURE: 2122200 -53.0927 271.53 132.034 171.616 47.818 64.0953 133.487 194.438 2.06239 PRESSAVG: 2122200 -61.4697 20.5502 34.7585 20.5502 -7.16468 -1.25058 34.7585 -1.2506 62.7521 GPRESSAVG: 2122200 -59.8949 20.1081 36.6632 16.7859 -8.79325 -2.2646 31.264 -0.407587 62.7388 TIMING: 2122200 CPU: 6338.06, 0.00294251/step Wall: 6338.06, 0.00294251/step, 2.35221 hours remaining, 207.992188 MB of memory in use. ENERGY: 2122200 760.9487 2137.3959 1941.4762 109.1568 -206093.5974 17819.1581 0.0000 0.0000 34411.8139 -148913.6477 300.5269 -183325.4617 -148814.2017 300.8138 -34.0332 -1.0708 556116.2700 -1.9608 -1.9831 PRESSURE: 2122400 91.0256 -2.25269 -8.92645 -2.25238 -34.5583 8.99083 -8.92498 8.99144 96.2711 GPRESSURE: 2122400 143.582 26.2459 -2.67744 -43.9701 37.8615 2.02356 -77.3678 -8.92669 65.3472 PRESSAVG: 2122400 10.9683 69.5535 25.3352 69.5536 -17.2077 20.6678 25.3351 20.6677 12.0894 GPRESSAVG: 2122400 10.88 70.1328 25.6693 70.0962 -15.8293 22.0521 25.5852 18.7836 10.6778 TIMING: 2122400 CPU: 6338.66, 0.00296624/step Wall: 6338.66, 0.00296624/step, 2.37102 hours remaining, 207.992188 MB of memory in use. ENERGY: 2122400 698.9431 2140.2200 1923.2120 100.0482 -205994.5907 17727.3942 0.0000 0.0000 34259.4565 -149145.3167 299.1964 -183404.7733 -149038.0671 299.7333 50.9128 82.2637 556908.4393 1.9500 1.9095 PRESSURE: 2122600 -77.3865 -157.247 -34.5944 -157.248 -155.322 -19.4427 -34.5944 -19.4441 -179.847 GPRESSURE: 2122600 -6.8711 -149.209 23.4424 -121.011 -169.878 -13.9439 -69.366 -14.4909 -144.668 PRESSAVG: 2122600 26.4554 -14.8402 28.2483 -14.8402 -51.1137 7.52281 28.2484 7.52282 31.4947 GPRESSAVG: 2122600 26.8488 -15.4046 25.9159 -16.3848 -51.6973 7.06894 29.5272 7.10048 31.711 TIMING: 2122600 CPU: 6339.24, 0.00293682/step Wall: 6339.24, 0.00293682/step, 2.34733 hours remaining, 207.992188 MB of memory in use. ENERGY: 2122600 725.6833 2044.8271 1919.6162 110.9169 -205641.8202 17481.7452 0.0000 0.0000 34285.3845 -149073.6471 299.4228 -183359.0315 -148980.1400 299.3506 -137.5183 -107.1389 557993.1049 2.2788 2.2875 PRESSURE: 2122800 -124.044 55.003 0.402548 55.0039 -23.5348 -267.368 0.402678 -267.368 -338.61 GPRESSURE: 2122800 -111.844 40.3146 -38.9402 -14.6482 39.0619 -273.702 24.0213 -236.431 -305.068 PRESSAVG: 2122800 29.1162 -26.8385 19.3884 -26.8383 4.00334 3.0705 19.3884 3.07055 4.69571 GPRESSAVG: 2122800 29.6108 -26.0653 19.868 -24.3096 4.11274 2.36948 19.7845 4.32604 4.3719 TIMING: 2122800 CPU: 6339.83, 0.00292524/step Wall: 6339.83, 0.00292524/step, 2.33791 hours remaining, 207.992188 MB of memory in use. ENERGY: 2122800 766.3728 2084.0467 1907.3754 96.2102 -205949.2506 17541.3779 0.0000 0.0000 34450.1433 -149103.7245 300.8617 -183553.8678 -149007.9713 299.0305 -162.0628 -125.9498 558159.9439 12.6051 12.6985 PRESSURE: 2123000 -204.431 83.778 29.6979 83.7769 -173.391 -18.3872 29.698 -18.3871 -152.157 GPRESSURE: 2123000 -113.349 -23.7108 28.0967 179.684 -106.456 72.0069 49.2574 -31.9113 -200.615 PRESSAVG: 2123000 71.9283 -10.1876 -42.9355 -10.1876 52.7645 -44.7099 -42.9356 -44.7099 -120.376 GPRESSAVG: 2123000 72.5534 -12.7863 -42.4783 -9.74606 51.4288 -43.0796 -43.4521 -44.3036 -119.609 TIMING: 2123000 CPU: 6340.42, 0.0029465/step Wall: 6340.42, 0.0029465/step, 2.35474 hours remaining, 207.992188 MB of memory in use. ENERGY: 2123000 725.1021 2100.0529 1947.4140 107.2469 -205785.4217 17479.8054 0.0000 0.0000 34132.8927 -149292.9077 298.0910 -183425.8004 -149197.7423 299.2034 -176.6595 -140.1399 557711.9785 1.4389 1.4578 PRESSURE: 2123200 288.516 -22.4977 -112.067 -22.4974 -246.533 -0.688036 -112.066 -0.688791 -311.726 GPRESSURE: 2123200 348.378 -37.3975 -92.091 12.9201 -250.18 -49.9413 -44.5996 1.74223 -263.662 PRESSAVG: 2123200 35.1097 -33.7308 -49.003 -33.7309 -36.1902 -30.1767 -49.003 -30.1767 -17.1558 GPRESSAVG: 2123200 34.9314 -31.1914 -49.3877 -35.3789 -34.8647 -32.5452 -49.0057 -29.3263 -18.2751 TIMING: 2123200 CPU: 6341.01, 0.00294666/step Wall: 6341.01, 0.00294666/step, 2.35471 hours remaining, 207.992188 MB of memory in use. ENERGY: 2123200 734.6015 2067.2782 1899.5544 110.0770 -206096.1711 17743.0891 0.0000 0.0000 34160.4464 -149381.1246 298.3317 -183541.5710 -149284.0652 298.2566 -89.9146 -55.1546 556829.9122 -6.0788 -6.0694 PRESSURE: 2123400 96.4592 34.8426 -26.2527 34.8438 10.9933 -143.95 -26.2506 -143.95 -133.765 GPRESSURE: 2123400 126.983 38.7907 47.1226 17.7399 37.5665 -175.19 -69.3621 -137.665 -89.2006 PRESSAVG: 2123400 -24.65 -5.82014 -44.1167 -5.8201 -35.9135 21.0683 -44.1166 21.0683 22.606 GPRESSAVG: 2123400 -25.8226 -6.2786 -44.102 -5.32613 -35.6229 20.4574 -45.091 21.0368 23.3779 TIMING: 2123400 CPU: 6341.6, 0.00296717/step Wall: 6341.6, 0.00296717/step, 2.37093 hours remaining, 207.992188 MB of memory in use. ENERGY: 2123400 732.7929 2084.4241 1928.0841 110.6197 -206092.5394 17746.9541 0.0000 0.0000 34078.6344 -149411.0301 297.6172 -183489.6645 -149326.4718 298.3497 -8.7707 25.1163 556171.3450 -12.6525 -12.6892 PRESSURE: 2123600 -8.61116 -98.7184 -101.357 -98.7173 -98.0494 40.8363 -101.357 40.8361 14.5645 GPRESSURE: 2123600 -10.5723 -100.66 -41.5576 -120.326 -59.7567 35.4372 -76.8204 -18.8902 89.3199 PRESSAVG: 2123600 33.7084 -1.74835 -24.2527 -1.7484 5.0422 -16.1616 -24.2526 -16.1615 -7.95546 GPRESSAVG: 2123600 33.9215 -2.9117 -24.739 -2.6493 5.55923 -12.7473 -23.1701 -16.5584 -9.52535 TIMING: 2123600 CPU: 6342.19, 0.00296892/step Wall: 6342.19, 0.00296892/step, 2.37217 hours remaining, 207.992188 MB of memory in use. ENERGY: 2123600 796.1897 2070.0721 1911.3607 107.3784 -206114.6572 17736.2795 0.0000 0.0000 34232.4567 -149260.9201 298.9606 -183493.3767 -149164.8718 298.8160 -30.6987 6.3303 556634.7716 10.2650 9.9851 PRESSURE: 2123800 307.545 50.9074 -118.248 50.9076 126.266 271.966 -118.249 271.965 -75.1302 GPRESSURE: 2123800 323.708 56.9291 -182.529 81.5275 167.991 239.576 -69.3273 267.825 -38.9937 PRESSAVG: 2123800 34.0567 50.015 -27.7096 50.0149 -11.9829 8.75203 -27.7096 8.75206 -31.4216 GPRESSAVG: 2123800 34.1411 50.4942 -27.7536 51.4819 -13.4317 6.25642 -27.9171 9.27778 -30.2929 TIMING: 2123800 CPU: 6342.79, 0.00296032/step Wall: 6342.79, 0.00296032/step, 2.36513 hours remaining, 207.992188 MB of memory in use. ENERGY: 2123800 766.4573 2024.5638 1910.7234 111.4202 -206317.9733 17903.4898 0.0000 0.0000 34293.8950 -149307.4239 299.4971 -183601.3189 -149214.1878 299.9792 119.5601 150.9017 554713.1457 -3.1159 -3.1945 PRESSURE: 2124000 176.344 187.731 163.351 187.731 -109.499 55.0417 163.35 55.04 17.7293 GPRESSURE: 2124000 190.468 179.772 88.2654 140.422 -58.6035 84.0611 266.905 118.272 48.6739 PRESSAVG: 2124000 45.0516 23.2346 0.664643 23.2346 50.0196 28.9382 0.664631 28.9381 -115.761 GPRESSAVG: 2124000 45.932 23.6412 -0.0568163 23.948 49.5984 29.5657 0.643638 28.9447 -116.226 TIMING: 2124000 CPU: 6343.38, 0.002947/step Wall: 6343.38, 0.002947/step, 2.35432 hours remaining, 207.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2124000 731.6283 2147.9938 1918.7205 120.5776 -206134.7843 17730.7313 0.0000 0.0000 34213.4564 -149271.6764 298.7946 -183485.1329 -149176.3225 299.1610 28.1912 60.1795 556009.0247 -6.8965 -6.8984 PRESSURE: 2124200 63.692 102.511 1.49755 102.51 18.1411 139.369 1.49881 139.368 44.7179 GPRESSURE: 2124200 53.3276 54.1611 4.53262 57.6291 19.2176 137.438 21.8476 138.123 138.731 PRESSAVG: 2124200 47.8782 -86.3596 32.7863 -86.3596 10.1763 61.5711 32.7864 61.5711 15.1216 GPRESSAVG: 2124200 46.6923 -87.1047 34.1379 -87.2277 11.5577 62.1062 30.4998 60.439 15.1301 TIMING: 2124200 CPU: 6343.97, 0.00297998/step Wall: 6343.97, 0.00297998/step, 2.3805 hours remaining, 207.992188 MB of memory in use. ENERGY: 2124200 752.1723 2099.5770 1923.4362 110.5976 -206118.8218 17823.6180 0.0000 0.0000 34421.3024 -148988.1184 300.6098 -183409.4207 -148891.1245 299.8302 42.1837 70.4256 556286.7079 24.3920 24.4600 LDB: ============= START OF LOAD BALANCING ============== 6347.52 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6347.52 LDB: =============== DONE WITH MIGRATION ================ 6347.52 LDB: ============= START OF LOAD BALANCING ============== 6347.82 LDB: Largest compute 4773 load 0.031565 is 26.7% of average load 0.118216 LDB: Average compute 0.001733 is 1.5% of average load 0.118216 LDB: TIME 6347.82 LOAD: AVG 0.118216 MAX 0.203826 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.352 MB LDB: TIME 6347.82 LOAD: AVG 0.118216 MAX 0.203826 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.555 MB LDB: TIME 6347.82 LOAD: AVG 0.118216 MAX 0.203826 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6347.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6347.83 PRESSURE: 2124400 134.476 -179.075 90.0045 -179.076 101.208 92.1789 90.0061 92.1795 -216.223 GPRESSURE: 2124400 190.903 -176.341 53.6556 -216.343 77.7558 2.42795 115.661 89.8814 -149.627 PRESSAVG: 2124400 23.3958 -39.0338 -54.6855 -39.0339 -40.8206 0.823317 -54.6855 0.823355 -12.895 GPRESSAVG: 2124400 24.1199 -36.5315 -54.6976 -42.1176 -42.7425 -0.830381 -54.9689 1.3545 -12.1358 TIMING: 2124400 CPU: 6344.58, 0.00303936/step Wall: 6344.58, 0.00303936/step, 2.42777 hours remaining, 207.285156 MB of memory in use. ENERGY: 2124400 775.0736 2091.3648 1935.0799 115.6095 -206014.5596 17792.5346 0.0000 0.0000 34198.4009 -149106.4965 298.6631 -183304.8973 -149012.3663 299.9231 6.4869 39.6772 556759.4695 -10.1066 -10.2528 PRESSURE: 2124600 46.0078 -185.224 -25.6767 -185.224 -149.613 97.406 -25.6783 97.4054 -252.259 GPRESSURE: 2124600 99.6398 -203.948 40.8036 -148.224 -58.8214 92.5551 -68.4425 153.743 -298.403 PRESSAVG: 2124600 53.8832 -1.32348 12.8733 -1.32355 -37.9798 -16.1527 12.8731 -16.1527 -15.409 GPRESSAVG: 2124600 53.5437 -4.7985 10.8967 1.15429 -35.7844 -14.6172 14.5933 -16.2273 -17.0308 TIMING: 2124600 CPU: 6345.17, 0.00296349/step Wall: 6345.17, 0.00296349/step, 2.36701 hours remaining, 207.285156 MB of memory in use. ENERGY: 2124600 739.7769 2091.7805 1940.8554 110.7794 -206077.1035 17702.4841 0.0000 0.0000 34226.9100 -149264.5173 298.9121 -183491.4273 -149158.6916 299.2388 -118.6214 -85.8616 555842.9891 0.1648 0.2428 PRESSURE: 2124800 -45.5916 51.2122 -182.655 51.2116 -375.351 101.009 -182.654 101.011 -74.6401 GPRESSURE: 2124800 -6.31881 53.1036 -56.8271 36.0508 -374.848 71.4956 -169.354 49.4104 -24.6943 PRESSAVG: 2124800 -17.3347 -0.939361 38.0529 -0.939288 -68.8068 29.6213 38.0529 29.6213 77.7508 GPRESSAVG: 2124800 -18.0265 0.836491 39.9805 -0.367202 -70.2047 29.7464 38.7385 29.0658 79.6791 TIMING: 2124800 CPU: 6345.77, 0.00296479/step Wall: 6345.77, 0.00296479/step, 2.36788 hours remaining, 207.285156 MB of memory in use. ENERGY: 2124800 708.0475 2152.6462 1933.8001 118.1101 -206217.1929 17614.5183 0.0000 0.0000 34389.8485 -149300.2223 300.3351 -183690.0708 -149207.3858 299.6492 -165.1943 -135.2869 556319.2061 -2.7969 -2.8507 PRESSURE: 2125000 94.0749 153.519 76.3761 153.518 247.818 28.1465 76.3763 28.1458 317.563 GPRESSURE: 2125000 161.272 122.64 52.4856 165.126 297.542 15.6502 88.728 44.1343 293.925 PRESSAVG: 2125000 19.1216 -27.7153 17.02 -27.7153 -48.1006 26.6974 17.0199 26.6975 -13.7596 GPRESSAVG: 2125000 19.5025 -29.4029 16.0251 -26.9089 -47.7988 25.7303 17.8211 27.5152 -14.3206 TIMING: 2125000 CPU: 6346.36, 0.00296939/step Wall: 6346.36, 0.00296939/step, 2.37138 hours remaining, 207.285156 MB of memory in use. ENERGY: 2125000 710.2913 2143.3458 1923.2043 124.4595 -206509.0767 18204.9245 0.0000 0.0000 34100.0432 -149302.8080 297.8042 -183402.8512 -149206.4107 299.5757 219.8187 250.9128 557467.8849 -14.2462 -14.2056 PRESSURE: 2125200 124.915 76.5796 179.691 76.5807 41.9108 -97.5923 179.692 -97.593 -270.555 GPRESSURE: 2125200 168.889 -90.4104 210.336 118.219 73.2543 -53.9612 85.2423 -89.7928 -251.807 PRESSAVG: 2125200 13.9283 38.8496 52.5184 38.8497 0.80905 2.38781 52.5185 2.38796 -5.63112 GPRESSAVG: 2125200 14.5275 42.1667 51.7639 35.0807 0.598284 2.53476 53.3048 0.747589 -5.96086 TIMING: 2125200 CPU: 6346.95, 0.00295628/step Wall: 6346.95, 0.00295628/step, 2.36076 hours remaining, 207.285156 MB of memory in use. ENERGY: 2125200 779.2855 2148.1712 1914.5391 108.6364 -206185.3922 17758.4483 0.0000 0.0000 34296.1196 -149180.1920 299.5165 -183476.3116 -149085.4682 299.2860 -34.5763 -3.2214 557850.2591 3.0354 3.0550 PRESSURE: 2125400 -26.4196 27.0689 46.8403 27.0689 -208.457 149.925 46.8403 149.924 -136.781 GPRESSURE: 2125400 -48.9707 -32.8654 -0.596485 -15.8977 -160.43 158.279 132.116 136.341 -75.151 PRESSAVG: 2125400 24.1902 25.4659 25.0486 25.466 -3.23932 -9.15566 25.0485 -9.15572 -11.3652 GPRESSAVG: 2125400 24.3844 22.1897 25.8449 27.9382 -3.36413 -8.31062 25.6119 -10.2852 -11.2542 TIMING: 2125400 CPU: 6347.55, 0.00297936/step Wall: 6347.55, 0.00297936/step, 2.37902 hours remaining, 207.285156 MB of memory in use. ENERGY: 2125400 722.8706 2108.2431 1946.5174 102.8111 -205695.4745 17521.6285 0.0000 0.0000 34181.0335 -149112.3703 298.5115 -183293.4039 -149016.0209 299.6802 -123.8857 -94.8507 557352.4664 3.1952 3.2554 PRESSURE: 2125600 -260.549 91.985 -73.6144 91.9856 -105.022 -88.3201 -73.6137 -88.3203 -445.937 GPRESSURE: 2125600 -251.265 56.7294 -88.9334 74.633 -73.3037 -88.4967 4.0399 -59.8579 -394.96 PRESSAVG: 2125600 25.9329 -4.20689 38.6301 -4.20682 -2.93577 32.269 38.6302 32.2689 19.5024 GPRESSAVG: 2125600 25.6568 -0.955405 38.4716 -4.95219 -1.9737 32.3908 35.6249 33.883 19.0264 TIMING: 2125600 CPU: 6348.14, 0.00297348/step Wall: 6348.14, 0.00297348/step, 2.37416 hours remaining, 207.285156 MB of memory in use. ENERGY: 2125600 743.8309 2166.0936 1911.5696 104.9270 -205655.6872 17480.0897 0.0000 0.0000 34017.0696 -149232.1068 297.0795 -183249.1764 -149135.1229 299.4669 -270.5028 -239.8429 559666.0119 14.1665 14.2365 PRESSURE: 2125800 49.4141 17.759 -29.5781 17.7599 28.6712 -5.5187 -29.5768 -5.51926 -141.157 GPRESSURE: 2125800 103.329 36.8448 -38.7962 -5.00607 39.2559 -4.00442 -5.27815 -57.1251 -113.178 PRESSAVG: 2125800 80.5628 47.5192 34.1932 47.5192 -41.7824 -4.28477 34.1931 -4.28484 -90.073 GPRESSAVG: 2125800 80.7482 45.9518 33.3587 47.3899 -42.436 -5.04242 35.5909 -3.19916 -89.0496 TIMING: 2125800 CPU: 6348.73, 0.00293178/step Wall: 6348.73, 0.00293178/step, 2.3407 hours remaining, 207.285156 MB of memory in use. ENERGY: 2125800 714.1511 2165.9709 1901.9878 100.9247 -206011.0488 17641.9601 0.0000 0.0000 34256.8099 -149229.2444 299.1732 -183486.0542 -149133.3241 298.9834 -21.0238 9.8024 557224.8060 -17.0976 -16.9125 PRESSURE: 2126000 -122.424 -66.4801 -67.4893 -66.4802 -320.352 30.2014 -67.4896 30.2029 -361.611 GPRESSURE: 2126000 -94.1547 45.9496 -14.4154 -110.438 -286.103 58.8936 -101.41 -58.0177 -329.295 PRESSAVG: 2126000 2.17861 11.3191 -24.8285 11.319 -16.8553 14.213 -24.8286 14.2129 12.6862 GPRESSAVG: 2126000 1.52685 12.2822 -23.6439 9.87056 -15.8488 15.6926 -24.2577 12.0065 11.8655 TIMING: 2126000 CPU: 6349.32, 0.00296002/step Wall: 6349.32, 0.00296002/step, 2.36308 hours remaining, 207.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2126000 767.0832 2116.9826 1927.7924 98.6066 -205852.6936 17484.1435 0.0000 0.0000 34287.7479 -149170.3373 299.4434 -183458.0852 -149075.3175 299.6394 -268.1291 -236.5176 558777.8900 -0.6635 -0.8188 PRESSURE: 2126200 119.677 32.2778 24.2086 32.2788 62.5563 56.0253 24.2106 56.0249 -103.552 GPRESSURE: 2126200 91.2679 35.1706 55.6442 40.4953 115.445 62.0371 57.856 47.8219 -48.8403 PRESSAVG: 2126200 19.6746 54.3589 4.15307 54.3589 3.87856 4.08311 4.15297 4.08305 -40.8138 GPRESSAVG: 2126200 20.0046 54.0816 3.6718 55.2239 2.94508 1.71281 4.48286 6.04925 -40.4603 TIMING: 2126200 CPU: 6349.92, 0.00298661/step Wall: 6349.92, 0.00298661/step, 2.38414 hours remaining, 207.285156 MB of memory in use. ENERGY: 2126200 745.3842 2113.0770 1898.6725 109.5317 -206253.6127 17937.5215 0.0000 0.0000 34206.0360 -149243.3898 298.7298 -183449.4258 -149146.3181 298.9464 26.2274 52.6242 558950.8487 -5.7536 -5.8369 PRESSURE: 2126400 44.0206 15.0966 212.428 15.0961 -68.235 180.814 212.429 180.813 74.3308 GPRESSURE: 2126400 6.42567 -17.6518 221.087 53.328 26.0025 197.833 95.2817 187.462 122.611 PRESSAVG: 2126400 60.9529 -18.958 0.373482 -18.958 23.7382 56.94 0.37347 56.9399 -44.3017 GPRESSAVG: 2126400 60.809 -18.7611 0.383174 -17.6429 24.18 58.7764 -1.04774 57.0637 -44.051 TIMING: 2126400 CPU: 6350.52, 0.00300118/step Wall: 6350.52, 0.00300118/step, 2.39561 hours remaining, 207.285156 MB of memory in use. ENERGY: 2126400 714.8269 2074.8899 1920.7219 111.4289 -206228.3255 17772.3619 0.0000 0.0000 34366.7586 -149267.3374 300.1335 -183634.0960 -149168.2076 299.1055 16.7055 51.6796 558282.4894 13.4631 13.6460 PRESSURE: 2126600 -160.491 -43.2821 -42.7443 -43.2829 -3.0504 17.1118 -42.7424 17.1124 51.9681 GPRESSURE: 2126600 -130.989 -9.87921 -78.0849 -62.8626 69.5397 106.368 -48.1879 -99.8151 42.0421 PRESSAVG: 2126600 7.8284 30.3666 -3.64011 30.3666 56.0848 63.7342 -3.64003 63.7342 -47.4329 GPRESSAVG: 2126600 8.18016 30.4552 -3.623 31.7348 56.497 62.0462 -3.83183 62.6934 -48.6625 TIMING: 2126600 CPU: 6351.12, 0.00299951/step Wall: 6351.12, 0.00299951/step, 2.39411 hours remaining, 207.285156 MB of memory in use. ENERGY: 2126600 781.1642 2030.5218 1961.9426 109.5916 -206520.1986 18021.4706 0.0000 0.0000 34301.1250 -149314.3829 299.5603 -183615.5078 -149219.8348 299.4783 -37.1910 -6.4692 558910.3103 5.4935 5.3382 PRESSURE: 2126800 176.018 24.0701 22.9066 24.0698 -10.7352 32.9374 22.9079 32.938 -57.465 GPRESSURE: 2126800 200.314 -32.1296 -40.5004 59.0046 44.422 110.193 -15.4484 -52.318 -29.6115 PRESSAVG: 2126800 7.12665 11.2667 16.0106 11.2667 -24.1864 6.31197 16.0107 6.31192 -0.941147 GPRESSAVG: 2126800 7.24411 9.64744 17.3407 8.82864 -24.3917 7.5614 14.8937 8.16548 -0.651127 TIMING: 2126800 CPU: 6351.72, 0.00299245/step Wall: 6351.72, 0.00299245/step, 2.38831 hours remaining, 207.285156 MB of memory in use. ENERGY: 2126800 714.5196 2032.9415 1917.2183 109.4706 -206254.4133 17839.0999 0.0000 0.0000 34225.7547 -149415.4088 298.9020 -183641.1634 -149320.2546 299.0041 35.9394 71.7083 557443.0671 -6.0003 -5.9329 PRESSURE: 2127000 -51.6593 27.0081 -91.2615 27.0081 427.123 -57.1778 -91.261 -57.1766 -52.3658 GPRESSURE: 2127000 5.07702 -34.6236 -89.1859 41.6952 422.101 -81.6762 10.5984 -70.8706 -14.4363 PRESSAVG: 2127000 -49.548 40.087 29.0748 40.0871 16.8386 9.16946 29.0749 9.16944 48.1373 GPRESSAVG: 2127000 -49.9847 39.3436 28.2637 40.079 16.8988 9.29175 31.1268 8.49885 48.2332 TIMING: 2127000 CPU: 6352.31, 0.00296022/step Wall: 6352.31, 0.00296022/step, 2.36242 hours remaining, 207.285156 MB of memory in use. ENERGY: 2127000 775.3675 2093.0445 1890.7481 111.0083 -206488.9952 18128.3284 0.0000 0.0000 34273.9198 -149216.5786 299.3227 -183490.4985 -149116.1007 298.9140 107.6994 137.5806 558311.2231 5.1426 5.0491 PRESSURE: 2127200 -201.33 -102.117 -81.59 -102.117 -255.343 -89.714 -81.591 -89.7125 40.065 GPRESSURE: 2127200 -210.675 -103.95 -104.096 -125.559 -182.644 -88.9995 -46.836 -82.4436 90.7555 PRESSAVG: 2127200 -56.7992 4.07045 18.0882 4.07048 9.53467 -32.1087 18.0881 -32.1087 44.7714 GPRESSAVG: 2127200 -58.7243 4.03296 16.8541 5.62433 10.6887 -30.9607 18.5882 -34.0773 46.0808 TIMING: 2127200 CPU: 6352.9, 0.00293921/step Wall: 6352.9, 0.00293921/step, 2.34549 hours remaining, 207.285156 MB of memory in use. ENERGY: 2127200 763.3705 2023.1685 1938.6935 109.3600 -205976.9759 17691.1059 0.0000 0.0000 34110.8005 -149340.4769 297.8981 -183451.2774 -149241.2398 298.5464 -138.8694 -100.8546 557185.5151 -0.8310 -0.6516 PRESSURE: 2127400 50.1369 114.23 -94.8536 114.23 -115.873 -3.62537 -94.8548 -3.62527 250.543 GPRESSURE: 2127400 45.8362 133 -92.0412 50.4881 -55.6162 -10.9024 -79.2697 -6.51349 276.54 PRESSAVG: 2127400 -51.8839 -31.8794 33.9842 -31.8794 32.5343 27.6846 33.9842 27.6845 4.93445 GPRESSAVG: 2127400 -50.5116 -31.4065 35.26 -33.2909 30.6668 27.9704 32.3 28.7716 5.1076 TIMING: 2127400 CPU: 6353.49, 0.00295399/step Wall: 6353.49, 0.00295399/step, 2.35712 hours remaining, 207.285156 MB of memory in use. ENERGY: 2127400 754.9453 2066.7744 1908.2175 108.2005 -206398.2698 17975.6666 0.0000 0.0000 34318.2163 -149266.2492 299.7095 -183584.4655 -149174.2947 299.5281 61.6021 88.9201 557558.3484 -4.8051 -4.9124 PRESSURE: 2127600 157.168 -114.674 -29.6687 -114.674 53.1654 -33.0635 -29.67 -33.0627 237.493 GPRESSURE: 2127600 175.863 -108.445 -31.7718 -82.4227 81.8491 -38.34 72.1439 -32.7397 289.076 PRESSAVG: 2127600 14.4737 -8.21202 -0.507919 -8.21198 -58.377 21.959 -0.507916 21.959 20.3455 GPRESSAVG: 2127600 14.4042 -5.95499 0.44225 -9.18368 -57.6536 20.7319 1.06495 21.495 19.4039 TIMING: 2127600 CPU: 6354.08, 0.00294393/step Wall: 6354.08, 0.00294393/step, 2.34893 hours remaining, 207.285156 MB of memory in use. ENERGY: 2127600 780.7371 2070.1120 1922.9981 114.6549 -206469.9952 18113.1016 0.0000 0.0000 34200.9303 -149267.4611 298.6852 -183468.3914 -149174.4270 299.8158 149.2753 182.2627 557989.1224 -7.8526 -7.9485 PRESSURE: 2127800 -26.83 36.7784 -82.6558 36.7771 -142.055 -21.5091 -82.6565 -21.5077 -155.144 GPRESSURE: 2127800 33.6279 -26.1742 -68.4526 56.8661 -116.436 -4.18 -146.398 7.73732 -138.44 PRESSAVG: 2127800 6.76719 -27.3032 -9.08669 -27.3032 -34.2453 -27.3289 -9.08669 -27.3289 6.63245 GPRESSAVG: 2127800 7.86266 -28.9089 -11.4628 -27.5843 -35.2532 -26.3188 -9.17988 -26.3922 7.12728 TIMING: 2127800 CPU: 6354.66, 0.0029427/step Wall: 6354.66, 0.0029427/step, 2.34779 hours remaining, 207.285156 MB of memory in use. ENERGY: 2127800 745.3058 2096.3141 1932.1652 113.2585 -205972.8840 17789.3457 0.0000 0.0000 34080.0418 -149216.4530 297.6295 -183296.4947 -149131.7933 298.4432 -108.0095 -73.7493 558486.5843 -6.9485 -6.7544 PRESSURE: 2128000 229.664 -145.255 158.96 -145.255 276.074 11.1338 158.961 11.1321 298.533 GPRESSURE: 2128000 259.028 -50.1734 202.836 -105.264 317.97 147.06 96.9693 -17.1433 324.942 PRESSAVG: 2128000 -38.1692 -18.699 -18.3658 -18.699 -60.0288 20.2451 -18.3658 20.245 97.8818 GPRESSAVG: 2128000 -39.063 -20.5116 -16.086 -15.2345 -59.6619 19.4523 -19.6498 19.3839 98.24 TIMING: 2128000 CPU: 6355.25, 0.00293657/step Wall: 6355.25, 0.00293657/step, 2.34273 hours remaining, 207.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2128000 754.0338 2096.4871 1920.6361 110.0542 -206485.8431 18061.4474 0.0000 0.0000 34385.4366 -149157.7480 300.2966 -183543.1846 -149064.0234 299.5080 268.0902 300.6466 556038.6162 -0.1054 -0.1616 PRESSURE: 2128200 -114.652 -0.865046 -164.23 -0.864077 -55.8609 3.80203 -164.23 3.80214 84.579 GPRESSURE: 2128200 -64.6553 -114.555 -98.3953 -40.8851 -66.8332 28.8459 -167.871 -26.6213 156.713 PRESSAVG: 2128200 -14.4816 -6.4117 49.4024 -6.41173 -25.1005 30.5387 49.4024 30.5387 20.6541 GPRESSAVG: 2128200 -14.0219 -4.29339 47.7743 -11.1336 -25.6237 29.8928 50.8328 29.5141 20.5834 TIMING: 2128200 CPU: 6355.84, 0.0029592/step Wall: 6355.84, 0.0029592/step, 2.36062 hours remaining, 207.285156 MB of memory in use. ENERGY: 2128200 717.2471 2072.7270 1939.4900 122.4369 -206250.1941 17745.6714 0.0000 0.0000 34440.9208 -149211.7009 300.7811 -183652.6217 -149113.1430 299.7089 -28.6446 8.4080 556765.9300 -6.3093 -6.3541 LDB: ============= START OF LOAD BALANCING ============== 6359.39 LDB: ============== END OF LOAD BALANCING =============== 6359.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6359.39 LDB: ============= START OF LOAD BALANCING ============== 6359.69 LDB: Largest compute 4773 load 0.030342 is 25.7% of average load 0.118273 LDB: Average compute 0.001726 is 1.5% of average load 0.118273 LDB: TIME 6359.69 LOAD: AVG 0.118273 MAX 0.204191 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.414 MB LDB: TIME 6359.69 LOAD: AVG 0.118273 MAX 0.204191 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.414 MB LDB: TIME 6359.69 LOAD: AVG 0.118273 MAX 0.204191 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6359.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6359.7 PRESSURE: 2128400 -38.3279 -125.378 -196.23 -125.377 -91.4521 57.472 -196.23 57.4732 -266.711 GPRESSURE: 2128400 16.5944 -133.291 -215.15 -117.583 -75.1862 -3.53648 -142.526 134.899 -234.503 PRESSAVG: 2128400 3.25189 -25.839 -10.7689 -25.8389 0.429443 -11.2581 -10.7689 -11.2581 12.0891 GPRESSAVG: 2128400 1.89275 -25.3801 -9.41454 -23.9103 0.995901 -12.7049 -9.52234 -8.50404 12.2406 TIMING: 2128400 CPU: 6356.45, 0.00301754/step Wall: 6356.45, 0.00301754/step, 2.40699 hours remaining, 207.996094 MB of memory in use. ENERGY: 2128400 770.7926 2082.5103 1926.8094 103.1904 -206081.6298 17767.4989 0.0000 0.0000 34194.8199 -149236.0084 298.6319 -183430.8283 -149143.5697 298.7536 -132.1637 -97.6984 558984.2736 5.2568 5.0431 PRESSURE: 2128600 -357.808 -84.6819 137.407 -84.6823 -483.356 -73.2015 137.407 -73.2033 47.7449 GPRESSURE: 2128600 -326.52 -27.6263 139.745 -124.326 -428.924 -88.4991 169.958 -29.4907 66.1898 PRESSAVG: 2128600 11.5017 17.0955 0.492531 17.0955 -39.9234 1.91097 0.492491 1.91091 -11.0821 GPRESSAVG: 2128600 11.8727 17.4401 -1.03116 15.6193 -39.3343 1.50501 1.10811 -0.0734805 -12.118 TIMING: 2128600 CPU: 6357.05, 0.00300207/step Wall: 6357.05, 0.00300207/step, 2.39448 hours remaining, 207.996094 MB of memory in use. ENERGY: 2128600 761.6022 2162.4283 1957.5103 127.3537 -205821.4101 17521.7256 0.0000 0.0000 34225.2790 -149065.5109 298.8979 -183290.7899 -148971.6691 299.1966 -264.4729 -229.7517 558972.4336 -13.1679 -13.1932 PRESSURE: 2128800 -90.9202 -55.4823 -16.5444 -55.4809 -183.937 -22.1246 -16.5451 -22.1242 -180.153 GPRESSURE: 2128800 -39.0574 17.5805 37.494 -22.5239 -159.75 29.0059 41.0792 -65.9732 -149.424 PRESSAVG: 2128800 3.11493 12.6428 -34.139 12.6428 27.3342 -4.00318 -34.139 -4.00312 -58.5283 GPRESSAVG: 2128800 4.63021 11.2608 -32.648 14.6103 26.1929 -2.21976 -36.3055 -3.65602 -58.9863 TIMING: 2128800 CPU: 6357.64, 0.00296516/step Wall: 6357.64, 0.00296516/step, 2.36488 hours remaining, 207.996094 MB of memory in use. ENERGY: 2128800 705.5555 2145.9671 1951.1080 118.7119 -205891.4736 17624.7367 0.0000 0.0000 34217.9569 -149127.4376 298.8339 -183345.3945 -149034.3811 299.2347 -151.6702 -116.0771 559276.9980 -9.3597 -9.3877 PRESSURE: 2129000 -101.811 101.792 38.5953 101.792 -17.6186 -85.3863 38.5944 -85.3847 178.867 GPRESSURE: 2129000 -102.888 183.545 79.1645 63.1342 31.4559 -63.3999 31.1141 -41.6223 224.203 PRESSAVG: 2129000 19.5981 -2.53795 -5.16492 -2.53795 21.0169 -33.6979 -5.16498 -33.698 -39.1172 GPRESSAVG: 2129000 19.2747 -0.457208 -6.03851 -3.17845 21.251 -34.2799 -3.4781 -32.383 -39.069 TIMING: 2129000 CPU: 6358.24, 0.00297845/step Wall: 6358.24, 0.00297845/step, 2.37531 hours remaining, 207.996094 MB of memory in use. ENERGY: 2129000 756.5413 2082.8538 1948.1957 106.1702 -206077.9787 17810.5899 0.0000 0.0000 34315.9489 -149057.6789 299.6897 -183373.6278 -148965.8419 299.7618 19.8125 50.9237 557825.4711 0.4993 0.4855 PRESSURE: 2129200 -160.789 -125.19 20.2176 -125.19 -97.6593 35.8636 20.2179 35.8653 -231.251 GPRESSURE: 2129200 -98.3747 -151.151 41.593 -80.0276 1.036 -10.3615 -20.4111 112.998 -297.502 PRESSAVG: 2129200 49.5026 -40.9896 32.0644 -40.9895 -34.5151 1.29784 32.0643 1.29767 -24.5348 GPRESSAVG: 2129200 47.8847 -41.5187 33.245 -39.4337 -33.4372 2.08903 29.1877 -0.112559 -23.7935 TIMING: 2129200 CPU: 6358.83, 0.00297244/step Wall: 6358.83, 0.00297244/step, 2.37036 hours remaining, 207.996094 MB of memory in use. ENERGY: 2129200 767.2978 2133.6736 1936.8588 117.6374 -206088.6114 17611.5090 0.0000 0.0000 34460.7753 -149060.8596 300.9545 -183521.6349 -148958.3797 300.1061 -163.2334 -131.6135 557862.5365 -3.1824 -3.1153 PRESSURE: 2129400 -66.4383 -4.27322 -134.667 -4.27358 -329.404 -57.3252 -134.667 -57.3257 -90.1135 GPRESSURE: 2129400 -68.4141 -7.24433 -88.094 -15.8679 -282.037 -33.1226 -42.8367 50.846 -51.0268 PRESSAVG: 2129400 10.6166 -9.42914 -43.3784 -9.42922 -46.7577 32.7129 -43.3784 32.7129 34.2233 GPRESSAVG: 2129400 10.809 -11.3337 -44.0386 -9.11404 -47.5231 29.7335 -41.1572 34.289 35.2607 TIMING: 2129400 CPU: 6359.42, 0.00296507/step Wall: 6359.42, 0.00296507/step, 2.36432 hours remaining, 207.996094 MB of memory in use. ENERGY: 2129400 778.9700 2115.1288 1926.4101 105.9131 -205644.5559 17470.1667 0.0000 0.0000 34153.8496 -149094.1176 298.2741 -183247.9672 -148994.9758 300.3789 -161.9852 -133.8261 557878.0242 -0.6393 -0.4845 PRESSURE: 2129600 -358.4 -23.3261 113.684 -23.3278 -136.949 -26.895 113.685 -26.8953 -163.589 GPRESSURE: 2129600 -374.354 -122.529 171.394 -77.1624 -65.2274 53.9188 167.875 -98.2676 -118.009 PRESSAVG: 2129600 -25.0917 41.1004 -22.3133 41.1003 -25.6982 -12.981 -22.3132 -12.9809 49.6408 GPRESSAVG: 2129600 -24.6845 43.0232 -22.1158 38.6815 -25.0468 -10.809 -24.7123 -13.1972 49.2262 TIMING: 2129600 CPU: 6360.02, 0.00295964/step Wall: 6360.02, 0.00295964/step, 2.35982 hours remaining, 207.996094 MB of memory in use. ENERGY: 2129600 722.6018 2052.6632 1914.5630 107.7229 -205836.8726 17509.7200 0.0000 0.0000 34397.8559 -149131.7458 300.4050 -183529.6017 -149026.6119 299.9252 -219.6459 -185.8633 558916.1918 -0.3830 -0.1684 PRESSURE: 2129800 151.701 -102.676 243.997 -102.676 -10.732 100.954 243.998 100.954 -93.8355 GPRESSURE: 2129800 250.842 -102.738 256.822 -113.852 -55.6571 112.968 285.938 150.123 -60.2085 PRESSAVG: 2129800 24.4354 42.2542 36.4311 42.2542 -8.87391 4.41084 36.431 4.41075 -24.377 GPRESSAVG: 2129800 24.3926 41.1544 37.6811 41.9628 -8.17912 5.35743 37.0929 4.09443 -25.0961 TIMING: 2129800 CPU: 6360.61, 0.00297022/step Wall: 6360.61, 0.00297022/step, 2.36809 hours remaining, 207.996094 MB of memory in use. ENERGY: 2129800 749.8817 2115.1133 1923.0947 125.1014 -205880.9062 17730.1538 0.0000 0.0000 34425.8655 -148811.6959 300.6496 -183237.5614 -148716.6107 300.3270 15.7113 44.9921 557339.7525 -2.9385 -2.9609 PRESSURE: 2130000 -319.118 -72.2266 109.398 -72.2272 283.669 19.986 109.397 19.9855 -19.9091 GPRESSURE: 2130000 -300.929 -93.2446 254.983 -39.41 308.992 23.9338 37.8132 42.2962 33.545 PRESSAVG: 2130000 -19.8246 -9.06118 15.0689 -9.06116 30.6967 7.11709 15.0689 7.11716 -50.5289 GPRESSAVG: 2130000 -19.1365 -9.89234 13.3914 -6.60426 29.1502 6.19 16.0656 7.94327 -49.9042 TIMING: 2130000 CPU: 6361.2, 0.0029463/step Wall: 6361.2, 0.0029463/step, 2.34886 hours remaining, 207.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2130000 756.1175 2087.3940 1919.2506 103.4359 -206111.5117 17731.3400 0.0000 0.0000 34542.8643 -148971.1094 301.6714 -183513.9737 -148874.1234 300.0110 -18.4525 13.8692 557457.4019 -13.2189 -13.2968 PRESSURE: 2130200 -93.4877 -152.287 -78.5942 -152.289 -123.661 45.2725 -78.5939 45.2731 105.703 GPRESSURE: 2130200 -24.3104 -253.345 12.9423 -43.9968 -93.5822 110.81 -130.768 26.5032 111.351 PRESSAVG: 2130200 -94.8526 -57.9495 11.9788 -57.9495 48.4287 36.5203 11.9788 36.5202 60.969 GPRESSAVG: 2130200 -94.9622 -56.1529 12.5568 -60.4068 49.7973 37.3778 12.1237 35.5222 60.7048 TIMING: 2130200 CPU: 6361.79, 0.00295699/step Wall: 6361.79, 0.00295699/step, 2.35721 hours remaining, 207.996094 MB of memory in use. ENERGY: 2130200 764.3036 2084.4525 1947.0405 110.0915 -206130.6680 17815.7802 0.0000 0.0000 34315.8780 -149093.1218 299.6891 -183408.9997 -149001.6186 299.8499 -37.1488 -2.1804 557148.8261 4.8484 5.1800 PRESSURE: 2130400 -43.1893 -48.6009 -238.912 -48.6004 -160.141 161.596 -238.911 161.597 -61.6458 GPRESSURE: 2130400 -27.5919 -113.166 -214.327 -43.1553 -98.7464 110.705 -214.276 79.6152 -24.8402 PRESSAVG: 2130400 8.93841 19.2034 -23.1256 19.2034 -1.09907 27.3129 -23.1255 27.3129 44.5743 GPRESSAVG: 2130400 8.98517 16.3166 -24.3749 22.0289 -1.65757 26.3175 -23.3155 28.6319 45.7989 TIMING: 2130400 CPU: 6362.38, 0.00294341/step Wall: 6362.38, 0.00294341/step, 2.34622 hours remaining, 207.996094 MB of memory in use. ENERGY: 2130400 749.2015 2124.5141 1905.7801 113.3767 -205762.2788 17740.4598 0.0000 0.0000 34224.1660 -148904.7807 298.8882 -183128.9467 -148810.9246 300.3745 -88.3255 -50.3928 559579.5973 17.4712 17.7088 PRESSURE: 2130600 -172.099 -69.5761 -160.44 -69.576 -171.733 -10.9834 -160.44 -10.9826 18.3972 GPRESSURE: 2130600 -122.797 -75.99 -226.521 -78.095 -159.382 -26.5792 -116.656 1.27376 47.095 PRESSAVG: 2130600 43.0162 -34.8141 -18.5069 -34.8141 -77.407 15.6372 -18.5069 15.6372 31.2542 GPRESSAVG: 2130600 42.6395 -33.8417 -17.0832 -36.4578 -76.5994 15.4681 -20.1151 16.1681 30.9059 TIMING: 2130600 CPU: 6362.98, 0.00298975/step Wall: 6362.98, 0.00298975/step, 2.383 hours remaining, 207.996094 MB of memory in use. ENERGY: 2130600 690.9763 2107.9928 1908.4358 104.6529 -205727.2567 17531.8534 0.0000 0.0000 34295.3848 -149087.9608 299.5101 -183383.3456 -148987.3959 299.3669 -108.4781 -78.3613 559105.7135 -1.0455 -1.0180 PRESSURE: 2130800 -202.805 52.2687 -137.768 52.2695 79.2843 62.2318 -137.768 62.2329 -103.495 GPRESSURE: 2130800 -192.361 80.3601 -126.286 96.2654 113.145 60.1029 -152.435 109.671 -38.3143 PRESSAVG: 2130800 -13.9112 -36.9391 -7.39401 -36.9393 39.8651 56.1344 -7.39403 56.1345 -23.2148 GPRESSAVG: 2130800 -13.0287 -35.8302 -7.17355 -38.841 39.3346 56.951 -6.67575 56.213 -23.5333 TIMING: 2130800 CPU: 6363.57, 0.0029626/step Wall: 6363.57, 0.0029626/step, 2.3612 hours remaining, 207.996094 MB of memory in use. ENERGY: 2130800 726.0300 2083.0492 1906.7202 113.9478 -206053.2296 17720.6142 0.0000 0.0000 34276.6165 -149226.2517 299.3462 -183502.8682 -149127.0377 299.8042 -75.6717 -39.1767 559385.9820 0.9130 0.9242 PRESSURE: 2131000 100.683 245.019 113.554 245.019 -40.0814 -51.5538 113.555 -51.5535 101.777 GPRESSURE: 2131000 138.475 267.168 113.784 189.105 19.3885 -72.16 206.054 -92.6372 104.333 PRESSAVG: 2131000 -54.7497 57.564 5.27022 57.5641 1.50439 -1.94802 5.27027 -1.9481 64.508 GPRESSAVG: 2131000 -54.4525 55.7046 6.5125 59.0638 1.53096 -1.50043 5.50566 -3.54949 64.4199 TIMING: 2131000 CPU: 6364.17, 0.00298113/step Wall: 6364.17, 0.00298113/step, 2.3758 hours remaining, 207.996094 MB of memory in use. ENERGY: 2131000 739.0063 2176.3947 1909.4631 108.8973 -206168.5277 17779.3643 0.0000 0.0000 34351.5447 -149103.8572 300.0006 -183455.4019 -149002.2125 299.6559 54.1261 87.3989 556951.9761 3.7542 3.8328 PRESSURE: 2131200 128.692 -249.37 -15.5342 -249.368 -89.1765 -186.391 -15.5344 -186.391 152.445 GPRESSURE: 2131200 115.829 -215.815 -62.1814 -239.873 -17.8001 -73.7291 -24.4228 -170.734 186.547 PRESSAVG: 2131200 -51.6418 -37.8236 -24.458 -37.8236 35.0394 16.2663 -24.4581 16.2663 19.7192 GPRESSAVG: 2131200 -51.7527 -36.3773 -25.2402 -38.8472 35.3148 14.9334 -25.913 17.322 19.5206 TIMING: 2131200 CPU: 6364.76, 0.00296243/step Wall: 6364.76, 0.00296243/step, 2.36072 hours remaining, 207.996094 MB of memory in use. ENERGY: 2131200 747.8570 2099.0924 1925.3241 116.9970 -205833.7874 17779.9029 0.0000 0.0000 34087.4083 -149077.2056 297.6938 -183164.6139 -148981.6878 299.2052 63.9870 94.8589 557917.8587 1.0389 1.0276 PRESSURE: 2131400 -185.648 2.52663 -101.793 2.52656 -140.788 71.4884 -101.792 71.4888 269.609 GPRESSURE: 2131400 -149.651 31.0308 -195.185 -17.6836 -74.3843 -29.0268 -38.8323 105.571 264.842 PRESSAVG: 2131400 -15.8505 -9.55402 -18.2898 -9.55397 87.3279 -59.0135 -18.2898 -59.0134 -2.64548 GPRESSAVG: 2131400 -15.9809 -10.7503 -19.1778 -8.34818 86.7865 -61.305 -16.8852 -59.9663 -2.48136 TIMING: 2131400 CPU: 6365.36, 0.00301457/step Wall: 6365.36, 0.00301457/step, 2.40211 hours remaining, 207.996094 MB of memory in use. ENERGY: 2131400 733.7372 2110.1914 1930.9437 115.3579 -206263.3618 17868.0088 0.0000 0.0000 34297.3143 -149207.8086 299.5270 -183505.1228 -149112.1927 298.8832 -18.9423 13.6022 556675.6943 22.9440 22.7747 PRESSURE: 2131600 -2.59515 -143.433 88.3895 -143.432 -5.64298 -57.2258 88.3881 -57.2264 -25.443 GPRESSURE: 2131600 72.7867 -179.362 79.4766 -93.6268 -2.53848 -92.416 42.7559 -3.30398 -0.379674 PRESSAVG: 2131600 -4.6763 -55.2747 43.2961 -55.2747 6.31229 -25.6582 43.296 -25.6582 24.7735 GPRESSAVG: 2131600 -5.17192 -54.9291 42.6611 -56.0305 5.93007 -24.4313 42.8076 -25.1354 25.8254 TIMING: 2131600 CPU: 6365.96, 0.00300334/step Wall: 6365.96, 0.00300334/step, 2.393 hours remaining, 207.996094 MB of memory in use. ENERGY: 2131600 794.1419 2081.7245 1931.0975 99.4045 -206351.7144 17877.7729 0.0000 0.0000 34386.3806 -149181.1925 300.3048 -183567.5731 -149086.0567 299.5682 -11.2270 23.2895 556912.6084 8.8031 8.8612 PRESSURE: 2131800 -26.9298 127.537 -140.102 127.537 -225.331 -25.1614 -140.1 -25.1613 15.9405 GPRESSURE: 2131800 31.0522 142.025 -139.335 178.128 -169.687 30.7039 -140.779 19.4844 4.51862 PRESSAVG: 2131800 7.60889 -37.4708 18.1898 -37.4708 -1.30019 -35.3522 18.1898 -35.3521 13.2082 GPRESSAVG: 2131800 7.23623 -36.9115 19.2577 -38.1186 -1.64858 -35.2314 16.9001 -35.5468 13.4165 TIMING: 2131800 CPU: 6366.56, 0.00298672/step Wall: 6366.56, 0.00298672/step, 2.37959 hours remaining, 207.996094 MB of memory in use. ENERGY: 2131800 756.2107 2037.4344 1923.9117 120.0420 -206068.0657 17693.5892 0.0000 0.0000 34069.8192 -149467.0586 297.5402 -183536.8778 -149369.9924 299.0305 -78.7733 -44.7055 556510.8480 6.5056 6.3347 PRESSURE: 2132000 -166.59 83.0324 19.2596 83.0309 -38.3798 -86.8284 19.2608 -86.8284 -191.32 GPRESSURE: 2132000 -107.147 73.4392 -25.0312 41.651 6.55202 -125.474 25.642 -102.635 -199.962 PRESSAVG: 2132000 49.372 -22.416 -28.4216 -22.416 -10.3038 8.46944 -28.4216 8.46941 -74.5892 GPRESSAVG: 2132000 50.6007 -23.4953 -28.6134 -22.8523 -10.3262 9.80298 -28.8495 9.79587 -76.0848 TIMING: 2132000 CPU: 6367.16, 0.00298884/step Wall: 6367.16, 0.00298884/step, 2.38111 hours remaining, 207.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2132000 760.7378 2087.4924 1957.4922 107.1899 -206179.7143 17741.7207 0.0000 0.0000 34065.0468 -149460.0345 297.4985 -183525.0813 -149360.4239 298.4084 -132.0966 -100.1855 558702.9295 -11.8403 -11.9368 PRESSURE: 2132200 -175.887 9.523 -32.5896 9.52221 -96.1288 70.1048 -32.5917 70.1034 20.3829 GPRESSURE: 2132200 -131.512 111.437 -31.4088 -24.737 -43.5032 111.949 39.6952 51.7409 32.7367 PRESSAVG: 2132200 35.2594 -33.8214 36.2723 -33.8215 -42.2179 61.9751 36.2723 61.9751 29.6849 GPRESSAVG: 2132200 35.8654 -32.3517 35.8533 -34.4232 -42.3074 61.2651 37.0242 58.7744 29.2555 TIMING: 2132200 CPU: 6367.74, 0.00294042/step Wall: 6367.74, 0.00294042/step, 2.34237 hours remaining, 207.996094 MB of memory in use. ENERGY: 2132200 781.3832 2103.2203 1957.5368 108.1545 -206244.7726 17780.0360 0.0000 0.0000 34144.1315 -149370.3101 298.1892 -183514.4417 -149283.5640 299.3152 -83.8775 -47.4262 559167.3251 7.5755 7.6045 LDB: ============= START OF LOAD BALANCING ============== 6371.29 LDB: ============== END OF LOAD BALANCING =============== 6371.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6371.29 LDB: ============= START OF LOAD BALANCING ============== 6371.59 LDB: Largest compute 4773 load 0.030277 is 25.6% of average load 0.118227 LDB: Average compute 0.001724 is 1.5% of average load 0.118227 LDB: TIME 6371.59 LOAD: AVG 0.118227 MAX 0.20299 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.352 MB LDB: TIME 6371.59 LOAD: AVG 0.118227 MAX 0.20299 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.352 MB LDB: TIME 6371.59 LOAD: AVG 0.118227 MAX 0.20299 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6371.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6371.6 PRESSURE: 2132400 -289.994 -53.5762 -67.5691 -53.5755 -135.137 144.867 -67.5702 144.869 -176.694 GPRESSURE: 2132400 -271.058 -15.7891 -18.068 -133.777 -60.2677 55.1299 -71.6089 163.003 -159.504 PRESSAVG: 2132400 43.7512 16.8265 -16.3738 16.8265 -42.8663 -9.85633 -16.3738 -9.85629 -14.1989 GPRESSAVG: 2132400 41.8444 15.606 -15.5897 17.4741 -42.4229 -9.85799 -17.3982 -7.96836 -13.0631 TIMING: 2132400 CPU: 6368.35, 0.00301062/step Wall: 6368.35, 0.00301062/step, 2.39813 hours remaining, 207.281250 MB of memory in use. ENERGY: 2132400 724.7627 2096.7836 1952.7637 115.5103 -205971.4144 17602.8095 0.0000 0.0000 34269.3354 -149209.4493 299.2826 -183478.7847 -149105.3756 299.2639 -200.6080 -163.6102 558582.7445 -4.4380 -4.5472 PRESSURE: 2132600 -85.2828 20.5586 95.1926 20.5577 -153.112 -43.9803 95.1908 -43.9814 -50.5411 GPRESSURE: 2132600 -65.0668 -28.2724 198.225 51.4063 -127.396 -42.3695 -17.0639 -89.8682 -0.653812 PRESSAVG: 2132600 15.1803 12.1672 21.2655 12.1672 23.5918 -19.9975 21.2655 -19.9973 23.8554 GPRESSAVG: 2132600 16.9148 11.4163 20.4575 13.1619 23.7121 -20.2773 22.2343 -21.9303 21.8111 TIMING: 2132600 CPU: 6368.94, 0.00295061/step Wall: 6368.94, 0.00295061/step, 2.35016 hours remaining, 207.593750 MB of memory in use. ENERGY: 2132600 723.1910 2089.9235 1948.2637 105.9064 -205943.8241 17595.6256 0.0000 0.0000 34304.0166 -149176.8974 299.5855 -183480.9140 -149073.7518 299.4007 -96.3119 -64.3723 559315.1892 20.8758 20.8127 PRESSURE: 2132800 224.038 -104.022 -15.8788 -104.023 28.2318 100.374 -15.8791 100.374 92.5142 GPRESSURE: 2132800 166.679 -17.287 -85.0594 -82.2264 96.4618 59.5554 54.9891 189.785 168.705 PRESSAVG: 2132800 9.65674 -18.4123 87.827 -18.4123 1.99196 -52.852 87.827 -52.8521 -44.8113 GPRESSAVG: 2132800 7.84338 -18.6827 87.77 -19.9063 2.19922 -52.1997 85.9861 -52.185 -43.6817 TIMING: 2132800 CPU: 6369.53, 0.0029512/step Wall: 6369.53, 0.0029512/step, 2.35047 hours remaining, 207.593750 MB of memory in use. ENERGY: 2132800 749.1072 2109.9674 1954.6594 112.7973 -206389.2246 17897.8005 0.0000 0.0000 34328.8909 -149236.0019 299.8027 -183564.8928 -149133.6180 299.2508 114.9279 143.9485 557512.1695 -11.0542 -11.2130 PRESSURE: 2133000 -247.34 10.1202 -129.185 10.1212 0.231339 75.6405 -129.186 75.6396 -120.277 GPRESSURE: 2133000 -210.401 27.1911 -106.385 -76.1052 18.0734 103.243 -87.8114 30.4699 -73.9254 PRESSAVG: 2133000 -20.8211 -38.0973 -47.7997 -38.0973 74.5128 -9.95131 -47.7998 -9.95139 -51.3265 GPRESSAVG: 2133000 -20.4295 -38.6743 -48.1116 -37.1723 74.7362 -9.72497 -47.4517 -10.0625 -51.5872 TIMING: 2133000 CPU: 6370.12, 0.00294689/step Wall: 6370.12, 0.00294689/step, 2.34687 hours remaining, 207.593750 MB of memory in use. ENERGY: 2133000 732.3430 2149.8004 1930.5172 125.3299 -205891.0882 17536.8285 0.0000 0.0000 34115.9608 -149300.3085 297.9432 -183416.2693 -149202.9900 299.2445 -122.4619 -88.7511 558443.6812 0.7884 0.9065 PRESSURE: 2133200 -106.31 54.7494 155.678 54.7494 -375.82 -66.2999 155.677 -66.3 -373.115 GPRESSURE: 2133200 -78.6465 172.33 178.26 -22.9535 -344.822 -12.0192 73.9783 -82.6116 -321.099 PRESSAVG: 2133200 39.3571 33.1494 -13.7803 33.1495 19.0453 17.5556 -13.7803 17.5557 16.8005 GPRESSAVG: 2133200 38.9947 36.2213 -15.0384 31.535 18.55 18.4497 -12.2834 18.3882 17.2361 TIMING: 2133200 CPU: 6370.71, 0.00294449/step Wall: 6370.71, 0.00294449/step, 2.3448 hours remaining, 207.593750 MB of memory in use. ENERGY: 2133200 798.2862 2094.0114 1935.1741 101.8081 -205887.3581 17584.9980 0.0000 0.0000 34013.6894 -149359.3910 297.0500 -183373.0804 -149269.7048 299.3074 -285.0816 -248.1892 558972.8862 25.0676 24.9270 PRESSURE: 2133400 314.586 -67.5604 -119.494 -67.5583 -50.6646 -140.459 -119.496 -140.459 -337.709 GPRESSURE: 2133400 267.323 -72.7795 -121.502 -29.2933 -11.0963 -52.2057 -147.59 -154.791 -236.216 PRESSAVG: 2133400 84.8021 15.1851 -13.1651 15.1851 -66.2151 -62.4974 -13.1652 -62.4974 -49.4565 GPRESSAVG: 2133400 86.2533 13.3326 -10.8962 16.0052 -66.2952 -62.5995 -14.4099 -62.1999 -50.9616 TIMING: 2133400 CPU: 6371.3, 0.00295419/step Wall: 6371.3, 0.00295419/step, 2.35236 hours remaining, 207.593750 MB of memory in use. ENERGY: 2133400 746.8735 2064.2754 1946.2078 111.3028 -206320.8991 17842.2876 0.0000 0.0000 34278.6333 -149331.3186 299.3638 -183609.9519 -149229.6675 298.6612 -24.5960 6.6701 557384.9064 -10.2898 -10.3345 PRESSURE: 2133600 -61.8357 -14.3599 -214.612 -14.3591 -101.769 73.4924 -214.61 73.4916 -121.785 GPRESSURE: 2133600 -25.8697 -13.0164 -259.539 -96.9649 -95.3517 -16.813 -190.109 205.952 -77.9415 PRESSAVG: 2133600 99.0558 -6.77122 -15.9867 -6.77136 7.02009 35.4878 -15.9868 35.4879 -94.4554 GPRESSAVG: 2133600 98.3522 -7.45902 -17.9587 -5.17561 6.88423 33.6212 -14.9106 37.4808 -93.2995 TIMING: 2133600 CPU: 6371.89, 0.00295719/step Wall: 6371.89, 0.00295719/step, 2.35458 hours remaining, 207.593750 MB of memory in use. ENERGY: 2133600 767.5208 2119.4846 1927.4839 122.0524 -206198.4261 17675.4277 0.0000 0.0000 34128.2218 -149458.2349 298.0502 -183586.4567 -149363.6050 298.7130 -95.1300 -66.3877 556723.5400 3.8735 3.9790 PRESSURE: 2133800 -167.832 -88.2709 148.63 -88.2715 1.63182 108.208 148.63 108.208 -154.763 GPRESSURE: 2133800 -127.652 -80.4001 280.229 -116.661 1.42296 107.463 50.1064 57.7916 -95.3967 PRESSAVG: 2133800 9.99546 39.8708 -2.53847 39.8708 9.8273 28.0476 -2.5385 28.0477 -17.4597 GPRESSAVG: 2133800 9.08447 40.1439 -1.16521 40.0591 10.3853 25.1247 -2.98943 27.1284 -17.1165 TIMING: 2133800 CPU: 6372.48, 0.00295541/step Wall: 6372.48, 0.00295541/step, 2.353 hours remaining, 207.593750 MB of memory in use. ENERGY: 2133800 741.1683 2110.3869 1931.2563 105.7118 -206566.6011 17756.4075 0.0000 0.0000 34380.3975 -149541.2729 300.2526 -183921.6704 -149441.0469 298.9928 -106.9877 -73.8754 556230.2783 0.7877 0.7844 PRESSURE: 2134000 -122.933 -49.1401 54.0157 -49.14 30.8156 -104.84 54.0147 -104.843 -43.2829 GPRESSURE: 2134000 -77.5596 28.0043 17.8009 -33.9338 44.5646 -157.098 43.4606 -94.6538 0.533475 PRESSAVG: 2134000 -4.90938 53.1646 73.6828 53.1646 43.1367 16.0756 73.6829 16.0756 -52.5211 GPRESSAVG: 2134000 -3.70898 51.9058 73.1341 52.7594 43.528 21.5048 72.9266 16.209 -53.689 TIMING: 2134000 CPU: 6373.06, 0.00292935/step Wall: 6373.06, 0.00292935/step, 2.33209 hours remaining, 207.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2134000 775.9288 2131.8536 1898.5301 109.8894 -206385.7157 17779.5365 0.0000 0.0000 34165.7374 -149524.2399 298.3779 -183689.9772 -149433.0371 297.9448 -45.1333 -10.8205 556850.3128 -4.7646 -4.6234 PRESSURE: 2134200 -121.105 -5.81834 21.81 -5.81908 219.268 -4.11323 21.8102 -4.11444 -110.149 GPRESSURE: 2134200 -29.7572 -37.8833 -35.4992 -60.6395 203.906 -9.75063 9.37274 -7.63373 -89.6843 PRESSAVG: 2134200 69.3743 -35.0217 2.40232 -35.0217 5.75004 -27.7747 2.40228 -27.7749 -40.8825 GPRESSAVG: 2134200 69.8279 -33.2397 4.0797 -35.9735 5.2336 -28.8732 3.50636 -27.8012 -40.8222 TIMING: 2134200 CPU: 6373.66, 0.00296652/step Wall: 6373.66, 0.00296652/step, 2.36152 hours remaining, 207.593750 MB of memory in use. ENERGY: 2134200 736.7886 2126.2958 1918.0268 111.6077 -206370.9639 17778.7092 0.0000 0.0000 34161.1761 -149538.3595 298.3380 -183699.5356 -149446.4696 298.4513 -3.9953 28.1547 557113.1363 11.4139 11.4131 PRESSURE: 2134400 246.27 -134.053 69.1526 -134.053 -17.9914 65.2942 69.1511 65.2926 5.2782 GPRESSURE: 2134400 275.123 -159.612 92.8819 -125.245 7.76984 13.6543 34.7517 80.7352 37.2424 PRESSAVG: 2134400 81.3156 -1.86281 -30.6999 -1.86275 26.5214 2.31575 -30.6999 2.31559 -54.0268 GPRESSAVG: 2134400 80.0205 -1.21338 -30.8662 -1.37814 26.6102 0.744793 -31.9777 2.84193 -53.2402 TIMING: 2134400 CPU: 6374.25, 0.00297211/step Wall: 6374.25, 0.00297211/step, 2.3658 hours remaining, 207.593750 MB of memory in use. ENERGY: 2134400 722.6631 2105.8954 1945.0540 119.0642 -206556.1160 17818.7867 0.0000 0.0000 34230.4081 -149614.2447 298.9427 -183844.6528 -149518.7453 298.7191 77.8521 106.7117 554712.7194 17.9367 17.7968 PRESSURE: 2134600 -270.147 -88.3861 -0.0834005 -88.3865 105.419 109.84 -0.0849275 109.84 -245.188 GPRESSURE: 2134600 -209.501 -6.97461 12.5437 -93.5294 128.418 126.82 -40.717 53.6538 -224.324 PRESSAVG: 2134600 19.5068 -23.3535 10.0351 -23.3535 -33.044 -8.07972 10.0351 -8.07979 5.7189 GPRESSAVG: 2134600 18.7777 -21.9388 10.6383 -24.385 -33.2902 -5.85161 10.8949 -11.0179 7.11001 TIMING: 2134600 CPU: 6374.85, 0.00298561/step Wall: 6374.85, 0.00298561/step, 2.37638 hours remaining, 207.593750 MB of memory in use. ENERGY: 2134600 734.9038 2085.7480 1951.6585 122.1917 -205979.7457 17572.2164 0.0000 0.0000 34024.1458 -149488.8814 297.1413 -183513.0272 -149396.5164 298.2375 -136.6387 -101.8026 557677.7997 -2.6061 -2.4675 PRESSURE: 2134800 -141.518 93.429 88.795 93.4304 -106.721 109.286 88.7959 109.286 -206.984 GPRESSURE: 2134800 -113.75 122.386 13.0441 64.8849 -51.3914 69.9699 125.22 83.6527 -202.443 PRESSAVG: 2134800 13.431 18.5767 -63.3943 18.5768 -20.995 16.5478 -63.3943 16.5479 2.6728 GPRESSAVG: 2134800 15.9187 15.0786 -63.8064 19.4175 -20.4932 15.64 -63.0143 17.6148 0.0701426 TIMING: 2134800 CPU: 6375.45, 0.00299751/step Wall: 6375.45, 0.00299751/step, 2.38568 hours remaining, 207.593750 MB of memory in use. ENERGY: 2134800 776.3553 2126.8567 1943.1232 123.6341 -206164.0255 17599.2999 0.0000 0.0000 34096.5531 -149498.2031 297.7737 -183594.7562 -149398.9678 298.2644 -151.7409 -122.5281 557707.6788 -1.6304 -1.5015 PRESSURE: 2135000 98.0829 -11.6447 -184.481 -11.6432 -6.24766 27.9978 -184.482 27.997 -89.8792 GPRESSURE: 2135000 116.904 -23.5941 -181.32 -67.8103 64.9016 -2.86522 -131.655 73.5333 -73.645 PRESSAVG: 2135000 19.5235 3.32303 -20.6276 3.32302 8.43971 -9.38458 -20.6276 -9.38461 -24.685 GPRESSAVG: 2135000 19.253 5.98418 -22.1422 3.14718 8.26151 -9.52964 -19.6387 -7.96663 -24.578 TIMING: 2135000 CPU: 6376.05, 0.00299747/step Wall: 6376.05, 0.00299747/step, 2.38548 hours remaining, 207.593750 MB of memory in use. ENERGY: 2135000 713.6048 2121.7126 1908.5732 114.9602 -206303.5084 17792.5747 0.0000 0.0000 34282.2871 -149369.7958 299.3957 -183652.0830 -149269.4714 298.5796 0.6520 36.0536 558319.4271 1.0927 0.9788 PRESSURE: 2135200 275.921 -98.0559 -105.724 -98.057 -132.249 -4.1993 -105.726 -4.2007 -15.8235 GPRESSURE: 2135200 346.953 -55.353 -72.458 -106.696 -74.2944 33.1759 -97.6899 -54.6272 -61.7971 PRESSAVG: 2135200 30.2359 -36.8699 14.2425 -36.8699 -24.0108 -26.6686 14.2424 -26.6687 -11.4531 GPRESSAVG: 2135200 30.3986 -38.1627 17.5103 -36.8287 -24.3697 -27.429 12.4506 -26.3479 -10.47 TIMING: 2135200 CPU: 6376.65, 0.00298547/step Wall: 6376.65, 0.00298547/step, 2.37577 hours remaining, 207.593750 MB of memory in use. ENERGY: 2135200 734.2692 2123.3506 1933.5414 102.3404 -206236.3466 17853.2996 0.0000 0.0000 34148.6054 -149340.9401 298.2283 -183489.5454 -149242.6351 298.2880 42.6165 70.2871 558190.8034 -1.7427 -1.4804 PRESSURE: 2135400 77.7383 83.88 193.834 83.8797 -189.169 -35.1317 193.833 -35.1323 51.3417 GPRESSURE: 2135400 113.337 65.5179 213.519 118.165 -161.841 22.3612 61.1343 -31.4274 97.4674 PRESSAVG: 2135400 -0.143896 -11.8588 4.22591 -11.8588 -24.1971 -24.7833 4.22585 -24.7834 -19.7546 GPRESSAVG: 2135400 1.12068 -11.9595 3.13878 -11.6522 -23.7724 -24.8268 4.66481 -26.0272 -20.6384 TIMING: 2135400 CPU: 6377.24, 0.00298995/step Wall: 6377.24, 0.00298995/step, 2.37917 hours remaining, 207.593750 MB of memory in use. ENERGY: 2135400 775.6262 2064.5948 1939.8379 110.9276 -206170.9076 17769.7215 0.0000 0.0000 34195.6134 -149314.5862 298.6388 -183510.1996 -149219.3117 298.5053 -20.0297 16.3212 557283.5709 -14.6985 -14.4301 PRESSURE: 2135600 -150.189 83.2857 140.547 83.2861 -334.074 73.1687 140.547 73.1692 -77.7811 GPRESSURE: 2135600 -140.808 105.318 156.596 44.1684 -314.713 107.748 107.806 139.963 -5.82471 PRESSAVG: 2135600 0.425413 -33.7943 44.546 -33.7943 34.5909 8.5265 44.546 8.52653 12.5644 GPRESSAVG: 2135600 -1.33172 -34.3338 44.4709 -34.2451 34.8348 7.27532 43.428 8.06694 14.6467 TIMING: 2135600 CPU: 6377.84, 0.00296827/step Wall: 6377.84, 0.00296827/step, 2.36175 hours remaining, 207.593750 MB of memory in use. ENERGY: 2135600 775.4283 2147.5315 1932.2931 113.9440 -206223.7435 17709.2912 0.0000 0.0000 34275.3525 -149269.9028 299.3352 -183545.2553 -149179.7049 299.1260 -187.3481 -153.7821 557801.3504 15.8602 16.0499 PRESSURE: 2135800 -65.6661 -36.6437 63.0776 -36.6436 -33.5223 -228.413 63.0771 -228.413 -178.964 GPRESSURE: 2135800 -50.8773 -50.1533 111.116 44.6491 -13.1686 -232.449 39.6468 -204.922 -107.256 PRESSAVG: 2135800 -1.93312 -34.8779 -44.1334 -34.878 45.3889 7.36564 -44.1334 7.36576 -30.1299 GPRESSAVG: 2135800 -1.37343 -33.717 -46.5678 -35.0295 45.5237 9.25085 -41.1418 8.78941 -30.8881 TIMING: 2135800 CPU: 6378.43, 0.0029524/step Wall: 6378.43, 0.0029524/step, 2.34896 hours remaining, 207.593750 MB of memory in use. ENERGY: 2135800 746.6720 2143.4229 1931.3722 112.3612 -206124.1954 17757.6318 0.0000 0.0000 34424.9407 -149007.7947 300.6416 -183432.7354 -148905.7071 299.3675 -92.7174 -57.1005 558472.1874 4.4420 4.4207 PRESSURE: 2136000 34.0375 81.4595 60.2859 81.4597 -34.8954 43.8281 60.286 43.8285 90.5652 GPRESSURE: 2136000 90.6876 56.5776 46.9165 185.019 -14.8842 34.8971 67.317 114.617 111.767 PRESSAVG: 2136000 -23.4074 -16.3714 23.9787 -16.3715 47.6038 -0.527503 23.9787 -0.527536 76.8085 GPRESSAVG: 2136000 -22.6475 -17.5064 26.2875 -16.2763 46.8933 -1.64225 21.9473 -0.26309 76.5979 TIMING: 2136000 CPU: 6379.02, 0.00293758/step Wall: 6379.02, 0.00293758/step, 2.33701 hours remaining, 207.593750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2136000 749.7665 2189.0774 1931.0524 113.4254 -206551.6447 18069.5857 0.0000 0.0000 34327.1862 -149171.5511 299.7879 -183498.7373 -149078.7237 300.2981 29.9024 62.5234 556508.1208 33.6683 33.6145 PRESSURE: 2136200 -64.6833 37.4129 25.4999 37.4129 -224.095 165.782 25.4992 165.783 -164.847 GPRESSURE: 2136200 16.5663 -87.0634 -63.0672 66.1311 -239.336 133.676 100.852 105.659 -146.134 PRESSAVG: 2136200 -3.44067 -13.336 12.977 -13.3359 29.2249 -38.0468 12.977 -38.0468 -39.2737 GPRESSAVG: 2136200 -4.45838 -12.2228 11.0344 -12.4996 30.5548 -35.9062 15.7815 -40.2627 -39.6726 TIMING: 2136200 CPU: 6379.61, 0.00296866/step Wall: 6379.61, 0.00296866/step, 2.36157 hours remaining, 207.593750 MB of memory in use. ENERGY: 2136200 756.3923 2106.8269 1963.1154 121.3934 -206005.3584 17575.3608 0.0000 0.0000 34334.5971 -149147.6725 299.8526 -183482.2696 -149049.9682 299.5089 -151.2082 -122.9682 557102.0731 -4.4965 -4.5254 LDB: ============= START OF LOAD BALANCING ============== 6383.15 LDB: ============== END OF LOAD BALANCING =============== 6383.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6383.15 LDB: ============= START OF LOAD BALANCING ============== 6383.45 LDB: Largest compute 4773 load 0.031457 is 26.6% of average load 0.118185 LDB: Average compute 0.001734 is 1.5% of average load 0.118185 LDB: TIME 6383.46 LOAD: AVG 0.118185 MAX 0.201343 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.023 MB LDB: TIME 6383.46 LOAD: AVG 0.118185 MAX 0.201343 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: TIME 6383.46 LOAD: AVG 0.118185 MAX 0.201343 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: ============== END OF LOAD BALANCING =============== 6383.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6383.46 PRESSURE: 2136400 -51.4093 53.4332 61.0511 53.4345 -321.413 166.044 61.0514 166.044 -124.089 GPRESSURE: 2136400 -22.8104 2.4263 110.679 39.2343 -192.984 213.94 35.2884 151.537 -184.079 PRESSAVG: 2136400 16.528 -13.8657 -28.6381 -13.8657 51.9959 10.297 -28.638 10.2971 -30.4669 GPRESSAVG: 2136400 16.0356 -14.604 -28.6653 -14.52 52.2502 9.04375 -28.5613 9.11188 -30.2056 TIMING: 2136400 CPU: 6380.21, 0.00301995/step Wall: 6380.21, 0.00301995/step, 2.40221 hours remaining, 206.511719 MB of memory in use. ENERGY: 2136400 750.1782 2137.3062 1962.2973 120.2621 -206315.3157 17642.9607 0.0000 0.0000 34290.6649 -149411.6462 299.4689 -183702.3111 -149317.7151 299.5614 -165.6371 -133.2913 557311.8280 12.6856 12.6934 PRESSURE: 2136600 -101.663 25.5123 170.37 25.5128 17.2489 53.9875 170.371 53.9871 -60.9397 GPRESSURE: 2136600 -47.2716 51.2015 124.935 -7.44095 59.8847 -2.78665 160.183 60.1385 -60.2918 PRESSAVG: 2136600 24.5655 28.5396 8.8117 28.5395 -5.21348 -26.8541 8.81178 -26.854 -43.704 GPRESSAVG: 2136600 24.811 28.9853 9.70786 27.5059 -5.87315 -27.3207 5.79032 -25.6706 -43.2284 TIMING: 2136600 CPU: 6380.81, 0.00298542/step Wall: 6380.81, 0.00298542/step, 2.37457 hours remaining, 206.511719 MB of memory in use. ENERGY: 2136600 743.9779 2116.6710 1928.9068 118.2230 -206166.9320 17649.3505 0.0000 0.0000 34321.4492 -149288.3536 299.7378 -183609.8028 -149194.2345 299.4478 -48.4512 -15.8929 556996.3407 -8.1173 -8.0969 PRESSURE: 2136800 -0.587001 -13.9555 57.201 -13.9553 -36.7173 120.981 57.2007 120.982 -184.979 GPRESSURE: 2136800 -25.06 -17.9885 61.8052 -23.4128 37.2425 110.53 -14.7248 129.508 -135.382 PRESSAVG: 2136800 -11.1187 56.1995 -56.9059 56.1995 -5.98658 61.8524 -56.9059 61.8524 2.25554 GPRESSAVG: 2136800 -10.7956 57.2683 -58.6656 56.8683 -6.4409 61.9779 -54.1716 62.4113 2.16133 TIMING: 2136800 CPU: 6381.41, 0.00298695/step Wall: 6381.41, 0.00298695/step, 2.37562 hours remaining, 206.511719 MB of memory in use. ENERGY: 2136800 749.8732 2113.1716 1896.3865 116.3238 -206093.3315 17691.2135 0.0000 0.0000 34261.4795 -149264.8835 299.2140 -183526.3629 -149161.3716 299.1734 -74.0945 -41.0664 557562.6363 -4.9499 -5.0251 PRESSURE: 2137000 -83.6945 -12.7508 180.15 -12.7504 -360.053 112.962 180.149 112.963 -157.77 GPRESSURE: 2137000 -52.6514 21.8033 202.26 -1.63897 -322.029 124.522 159.956 110.514 -110.756 PRESSAVG: 2137000 -16.1922 -40.6597 -54.1643 -40.6597 11.4931 45.6967 -54.1642 45.6967 -18.9932 GPRESSAVG: 2137000 -15.9335 -42.9157 -51.4435 -38.4283 11.2774 46.5632 -57.91 44.3861 -18.9176 TIMING: 2137000 CPU: 6382.01, 0.00299125/step Wall: 6382.01, 0.00299125/step, 2.37887 hours remaining, 206.511719 MB of memory in use. ENERGY: 2137000 775.8711 2080.2286 1916.1398 121.1970 -205848.3666 17442.6616 0.0000 0.0000 34193.2398 -149319.0287 298.6181 -183512.2685 -149222.6794 298.9771 -200.5058 -161.8120 556442.0922 -7.8974 -7.8579 PRESSURE: 2137200 266.215 -22.7574 -13.5336 -22.7576 -59.0698 -7.37546 -13.5339 -7.37528 -58.841 GPRESSURE: 2137200 320.141 40.3921 6.41985 51.977 -8.86218 39.5778 18.3053 -17.1611 -65.131 PRESSAVG: 2137200 62.3102 -13.6757 -20.8972 -13.6756 -40.7716 23.0261 -20.8973 23.0261 14.619 GPRESSAVG: 2137200 62.6752 -13.4419 -21.5994 -16.6364 -40.3891 24.6345 -17.6825 21.5713 14.2458 TIMING: 2137200 CPU: 6382.61, 0.00301565/step Wall: 6382.61, 0.00301565/step, 2.39811 hours remaining, 206.511719 MB of memory in use. ENERGY: 2137200 741.3816 2094.4190 1879.0566 124.5306 -206044.1586 17581.9743 0.0000 0.0000 34333.3408 -149289.4558 299.8416 -183622.7965 -149192.4545 299.0611 49.4347 82.0494 555566.6448 12.0525 12.1773 PRESSURE: 2137400 -3.78934 -102.465 98.4393 -102.465 47.441 37.681 98.4394 37.681 -129.171 GPRESSURE: 2137400 19.212 -57.587 113.245 -80.2364 30.5265 73.9134 30.3973 -22.9544 -40.2005 PRESSAVG: 2137400 -17.4881 37.9093 -65.4182 37.9093 9.84056 36.734 -65.4181 36.734 -18.1288 GPRESSAVG: 2137400 -17.9348 39.0102 -68.4977 37.9807 9.93082 36.5832 -65.3197 37.469 -17.494 TIMING: 2137400 CPU: 6383.2, 0.00296865/step Wall: 6383.2, 0.00296865/step, 2.36057 hours remaining, 206.511719 MB of memory in use. ENERGY: 2137400 743.0710 2081.8031 1932.3326 108.5265 -206023.0368 17664.7161 0.0000 0.0000 34401.6937 -149090.8937 300.4385 -183492.5874 -148998.9507 299.8701 -28.5063 3.1793 556944.5423 -8.5921 -8.4993 PRESSURE: 2137600 -7.50534 -35.7028 122.304 -35.7045 70.1467 19.2331 122.303 19.233 -80.3359 GPRESSURE: 2137600 54.762 64.0023 155.812 -95.9813 119.717 71.796 80.8341 -39.2162 -93.8503 PRESSAVG: 2137600 -0.866275 -27.2208 -34.5432 -27.2207 -41.3079 -79.2757 -34.5432 -79.2756 34.5797 GPRESSAVG: 2137600 -0.607556 -25.9782 -31.7527 -27.7057 -40.7724 -81.3972 -35.4457 -78.0612 34.2425 TIMING: 2137600 CPU: 6383.8, 0.00300655/step Wall: 6383.8, 0.00300655/step, 2.39054 hours remaining, 206.511719 MB of memory in use. ENERGY: 2137600 736.5240 2093.7045 1916.4448 106.9402 -206124.2695 17766.6216 0.0000 0.0000 34393.0278 -149111.0067 300.3629 -183504.0344 -149010.4613 300.2508 -5.8982 26.8764 556706.3481 -2.5315 -2.3792 PRESSURE: 2137800 199.184 -138.954 -69.0539 -138.955 239.599 -39.8935 -69.0542 -39.8941 251.911 GPRESSURE: 2137800 206.374 -196.701 -69.8559 -80.9269 275.252 47.6532 -41.775 -35.6784 291.398 PRESSAVG: 2137800 7.97087 -8.71169 -32.6787 -8.71165 34.4022 10.1677 -32.6786 10.1676 45.678 GPRESSAVG: 2137800 7.26779 -12.0548 -34.6997 -7.57633 33.4986 10.0227 -32.2679 10.7123 46.921 TIMING: 2137800 CPU: 6384.4, 0.00297429/step Wall: 6384.4, 0.00297429/step, 2.36473 hours remaining, 206.511719 MB of memory in use. ENERGY: 2137800 744.0074 2067.4413 1918.3737 117.3923 -206349.8262 18105.0582 0.0000 0.0000 34370.7522 -149026.8012 300.1683 -183397.5534 -148929.0107 299.9858 230.2311 257.6748 556148.7000 29.3503 29.2291 PRESSURE: 2138000 -387.977 50.235 75.1658 50.2351 -145.358 -104.297 75.1647 -104.299 -270.273 GPRESSURE: 2138000 -388.462 74.5735 29.6452 37.1788 -147.171 -135.67 87.8165 -156.192 -166.043 PRESSAVG: 2138000 24.5012 -28.6438 3.57938 -28.6437 -60.8004 10.2938 3.57929 10.2937 26.3554 GPRESSAVG: 2138000 25.7619 -27.3097 7.10165 -27.3794 -62.2826 10.1521 2.57081 8.66887 26.1194 TIMING: 2138000 CPU: 6384.99, 0.00295718/step Wall: 6384.99, 0.00295718/step, 2.35096 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2138000 815.9250 2119.3563 1891.5054 121.2517 -205701.3221 17377.6684 0.0000 0.0000 34345.1415 -149030.4739 299.9447 -183375.6154 -148938.2370 300.5649 -267.8694 -233.8920 558408.9092 -3.3146 -3.4671 PRESSURE: 2138200 -98.3427 46.5295 81.987 46.5304 145.061 -22.6264 81.9858 -22.6279 -71.7887 GPRESSURE: 2138200 -52.2947 46.8395 109.407 81.6413 200.53 -38.7085 82.3088 4.62671 -68.7044 PRESSAVG: 2138200 -57.094 11.9294 -2.15255 11.9294 45.9307 -46.2348 -2.15257 -46.2348 -12.4039 GPRESSAVG: 2138200 -57.5528 12.5983 -4.04809 10.4719 47.359 -45.6055 -1.96842 -44.8253 -13.065 TIMING: 2138200 CPU: 6385.58, 0.00296705/step Wall: 6385.58, 0.00296705/step, 2.35864 hours remaining, 206.511719 MB of memory in use. ENERGY: 2138200 793.3063 2085.6783 1891.8054 113.9347 -206182.4482 17931.1305 0.0000 0.0000 34490.7918 -148875.8011 301.2167 -183366.5930 -148783.1388 300.8023 -8.3568 26.5102 557772.5457 -7.8557 -7.7529 PRESSURE: 2138400 -7.2356 108.741 116.497 108.742 -21.8197 129.722 116.495 129.723 270.393 GPRESSURE: 2138400 10.0355 131.362 144.269 126.591 31.6563 132.638 118.259 148.374 280.745 PRESSAVG: 2138400 -19.4147 -17.1548 29.5721 -17.1548 -24.0065 12.1746 29.5721 12.1745 47.1843 GPRESSAVG: 2138400 -18.6371 -17.2233 29.2128 -18.2459 -24.1774 13.0381 30.5642 12.5837 46.3704 TIMING: 2138400 CPU: 6386.18, 0.00297737/step Wall: 6386.18, 0.00297737/step, 2.36668 hours remaining, 206.511719 MB of memory in use. ENERGY: 2138400 771.4094 2166.1172 1919.1126 126.9204 -206218.9326 17935.2912 0.0000 0.0000 34403.6199 -148896.4618 300.4554 -183300.0817 -148792.9158 300.7709 80.4457 107.4790 557222.3921 1.2544 1.1853 PRESSURE: 2138600 -96.6545 -215.992 -49.2064 -215.993 -156.125 -46.0229 -49.2064 -46.0248 -21.6365 GPRESSURE: 2138600 4.66453 -282.859 -97.7085 -158.744 -192.292 -99.2815 -68.6828 42.2811 13.2858 PRESSAVG: 2138600 18.8057 56.4487 -17.4328 56.4486 4.44618 0.668219 -17.4328 0.668282 -39.5012 GPRESSAVG: 2138600 19.6044 55.6957 -16.4366 58.1003 4.30731 1.18061 -20.0196 1.79921 -39.698 TIMING: 2138600 CPU: 6386.78, 0.0029994/step Wall: 6386.78, 0.0029994/step, 2.38402 hours remaining, 206.511719 MB of memory in use. ENERGY: 2138600 773.9906 2073.2199 1917.5945 104.5032 -205855.6915 17643.1874 0.0000 0.0000 34375.7125 -148967.4834 300.2116 -183343.1959 -148870.1108 300.0888 -91.4720 -58.1139 558096.3725 -5.4164 -5.2621 PRESSURE: 2138800 -22.9413 -40.4356 113.99 -40.4351 191.068 -35.459 113.99 -35.46 -233.405 GPRESSURE: 2138800 -9.50929 6.3695 77.8537 -132.944 203.334 -11.3624 75.9819 -32.4369 -156.465 PRESSAVG: 2138800 -3.76868 7.14075 20.5672 7.14071 32.0562 -5.69111 20.5672 -5.69119 -41.3032 GPRESSAVG: 2138800 -4.1376 7.27792 19.0342 6.27438 31.6618 -7.59524 23.7296 -7.39526 -40.4627 TIMING: 2138800 CPU: 6387.37, 0.00295613/step Wall: 6387.37, 0.00295613/step, 2.34947 hours remaining, 206.511719 MB of memory in use. ENERGY: 2138800 778.8956 2070.9526 1942.4634 117.3799 -205925.8635 17825.7238 0.0000 0.0000 34123.2431 -149067.2050 298.0068 -183190.4481 -148977.0756 299.9824 -21.7593 12.4534 558405.6647 -4.3386 -4.3128 PRESSURE: 2139000 -132.413 -97.5489 -81.2611 -97.5486 -94.4671 -54.0912 -81.2616 -54.0904 -234.508 GPRESSURE: 2139000 -89.7099 -114.182 -39.0821 -59.8567 -93.3262 19.6079 -69.9448 -60.1628 -171.435 PRESSAVG: 2139000 12.3018 21.2496 6.18845 21.2496 88.5496 1.40567 6.18847 1.40564 -17.9566 GPRESSAVG: 2139000 12.0174 21.8629 7.7648 20.4686 89.2734 1.74337 3.21051 2.74305 -18.4922 TIMING: 2139000 CPU: 6387.96, 0.00294195/step Wall: 6387.96, 0.00294195/step, 2.33803 hours remaining, 206.714844 MB of memory in use. ENERGY: 2139000 745.2576 2095.6588 1929.8276 115.9400 -206106.8553 17577.3407 0.0000 0.0000 34455.1052 -149187.7253 300.9050 -183642.8306 -149085.4162 300.0127 -153.7962 -118.1572 557284.5179 27.6316 27.5995 PRESSURE: 2139200 53.2665 49.2563 1.23201 49.257 26.6124 121.074 1.23239 121.075 -9.05672 GPRESSURE: 2139200 69.2962 62.1329 11.658 -77.8052 77.7916 188.083 7.06373 95.5183 15.0016 PRESSAVG: 2139200 -26.0919 3.60959 17.5053 3.60956 94.8975 11.5774 17.5052 11.5775 -98.4371 GPRESSAVG: 2139200 -25.3989 3.31721 15.8286 3.80514 95.3736 11.6139 20.1894 9.76897 -99.3945 TIMING: 2139200 CPU: 6388.55, 0.00297023/step Wall: 6388.55, 0.00297023/step, 2.36034 hours remaining, 206.714844 MB of memory in use. ENERGY: 2139200 719.5388 2074.1466 1915.5470 117.1047 -205959.0394 17664.4242 0.0000 0.0000 34388.3090 -149079.9691 300.3217 -183468.2782 -148980.5231 299.4703 23.6074 54.0298 557394.7688 -9.8772 -9.8066 PRESSURE: 2139400 -38.9567 56.88 -89.7762 56.8788 -72.6004 72.0187 -89.7758 72.0183 224.427 GPRESSURE: 2139400 -15.8615 1.56789 -108.765 31.2032 -15.6379 121.253 -65.202 65.924 232.871 PRESSAVG: 2139400 22.2508 33.6607 23.078 33.6608 -6.23827 -8.10901 23.0779 -8.10895 40.0063 GPRESSAVG: 2139400 21.726 33.971 26.0036 34.4388 -6.92611 -7.10676 21.3951 -6.59859 40.7944 TIMING: 2139400 CPU: 6389.15, 0.00296477/step Wall: 6389.15, 0.00296477/step, 2.35584 hours remaining, 206.714844 MB of memory in use. ENERGY: 2139400 731.0949 2095.1680 1936.5296 120.9748 -205820.1837 17623.6065 0.0000 0.0000 34274.4610 -149038.3488 299.3274 -183312.8098 -148946.4528 300.2196 37.6232 67.1240 556436.8883 18.6729 18.5314 PRESSURE: 2139600 -111.904 -12.8856 198.769 -12.8852 -52.022 -34.4767 198.769 -34.4762 -138.43 GPRESSURE: 2139600 -97.1429 -14.0519 118.326 39.507 46.9407 -75.8195 158.246 26.6617 -142.987 PRESSAVG: 2139600 -5.7306 41.0268 -47.9027 41.0268 -2.98537 9.94457 -47.9026 9.94448 42.1662 GPRESSAVG: 2139600 -7.07917 41.2316 -47.819 41.3747 -3.06056 9.32861 -48.7559 8.88656 43.2262 TIMING: 2139600 CPU: 6389.74, 0.00297061/step Wall: 6389.74, 0.00297061/step, 2.36031 hours remaining, 206.714844 MB of memory in use. ENERGY: 2139600 770.5001 2074.2647 1917.7990 113.1812 -206046.5060 17685.9775 0.0000 0.0000 34415.4862 -149069.2973 300.5590 -183484.7835 -148976.2966 299.6596 -100.7853 -64.3963 555940.5205 11.1501 11.0288 PRESSURE: 2139800 1.15678 -120.82 -80.5197 -120.821 48.0612 -16.1845 -80.5192 -16.1848 60.1788 GPRESSURE: 2139800 48.3754 -198.629 -6.28262 -117.333 88.98 -60.9555 -176.326 35.8676 78.7553 PRESSAVG: 2139800 -14.2038 -38.5056 31.6266 -38.5057 -20.4153 23.5929 31.6267 23.5928 47.4694 GPRESSAVG: 2139800 -13.7101 -38.8819 30.7659 -39.862 -20.0569 23.4527 34.3304 23.1207 46.4487 TIMING: 2139800 CPU: 6390.33, 0.00296424/step Wall: 6390.33, 0.00296424/step, 2.35509 hours remaining, 206.714844 MB of memory in use. ENERGY: 2139800 766.5826 2080.6613 1948.7509 127.0212 -206193.8970 17901.4882 0.0000 0.0000 34317.6819 -149051.7109 299.7049 -183369.3928 -148957.3764 299.9640 36.4656 72.0369 556536.1335 4.2834 4.2273 PRESSURE: 2140000 194.786 34.1686 146.015 34.1695 66.5459 30.1585 146.015 30.1589 11.9845 GPRESSURE: 2140000 222.781 23.3274 237.227 -38.3347 124.25 158.027 67.9623 36.623 27.5584 PRESSAVG: 2140000 18.1122 17.5978 55.4449 17.5976 -18.7565 13.7149 55.4448 13.715 -22.345 GPRESSAVG: 2140000 18.0305 16.1219 53.6143 18.2583 -18.8929 14.6522 55.0706 12.4489 -22.281 TIMING: 2140000 CPU: 6390.92, 0.0029558/step Wall: 6390.92, 0.0029558/step, 2.34822 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2140000 738.1053 2069.3061 1921.4379 135.3115 -206340.2903 17999.2772 0.0000 0.0000 34517.9653 -148958.8870 301.4540 -183476.8523 -148867.0828 299.9896 91.1053 124.8632 558347.9652 -7.6631 -7.7145 PRESSURE: 2140200 156.109 -62.489 -117.162 -62.4889 26.7213 52.827 -117.161 52.8263 -135.662 GPRESSURE: 2140200 166.228 -90.955 -107.578 -73.5172 70.8874 85.958 -90.2224 27.8477 -96.3866 PRESSAVG: 2140200 99.3018 32.789 23.3091 32.7889 -50.3932 1.67106 23.309 1.67106 -33.187 GPRESSAVG: 2140200 98.3805 34.4251 24.4203 33.7438 -50.7311 2.32813 21.9868 1.4509 -32.5653 TIMING: 2140200 CPU: 6391.52, 0.00298133/step Wall: 6391.52, 0.00298133/step, 2.36834 hours remaining, 206.714844 MB of memory in use. ENERGY: 2140200 745.0314 2066.4919 1948.9747 108.2846 -206269.1216 17896.2522 0.0000 0.0000 34764.6312 -148739.4556 303.6082 -183504.0867 -148642.1468 301.6274 15.7228 46.9096 558244.8557 5.2405 5.0280 LDB: ============= START OF LOAD BALANCING ============== 6395.07 LDB: ============== END OF LOAD BALANCING =============== 6395.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6395.07 LDB: ============= START OF LOAD BALANCING ============== 6395.37 LDB: Largest compute 4773 load 0.031261 is 26.5% of average load 0.118138 LDB: Average compute 0.001742 is 1.5% of average load 0.118138 LDB: TIME 6395.37 LOAD: AVG 0.118138 MAX 0.201982 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.535 MB LDB: TIME 6395.37 LOAD: AVG 0.118138 MAX 0.201982 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.539 MB LDB: TIME 6395.37 LOAD: AVG 0.118138 MAX 0.201982 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.539 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6395.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6395.37 PRESSURE: 2140400 72.9338 -11.3304 -8.80744 -11.3309 -36.9212 -31.6205 -8.80662 -31.6195 177.866 GPRESSURE: 2140400 130.721 -128.95 5.55145 -34.0635 -22.943 -35.0947 -13.9652 -93.5067 205.354 PRESSAVG: 2140400 19.8066 4.94202 -20.4398 4.942 21.3452 53.1167 -20.4398 53.1166 -23.3718 GPRESSAVG: 2140400 20.4825 5.03723 -20.4292 4.09884 21.6752 54.1344 -19.1698 52.0069 -24.1698 TIMING: 2140400 CPU: 6392.12, 0.00302116/step Wall: 6392.12, 0.00302116/step, 2.39981 hours remaining, 207.792969 MB of memory in use. ENERGY: 2140400 777.8481 2044.7285 1937.9004 103.0490 -206245.9633 17966.3030 0.0000 0.0000 34426.5355 -148989.5988 300.6555 -183416.1343 -148890.8603 300.7568 71.2929 104.3771 559431.6325 5.9266 5.9960 PRESSURE: 2140600 -1.23227 195.087 -119.349 195.089 93.6126 35.711 -119.349 35.7109 220.551 GPRESSURE: 2140600 131.9 172.553 -60.3478 182.746 79.3337 122.758 -87.3049 -24.9684 198.125 PRESSAVG: 2140600 -44.261 32.8237 23.2285 32.8236 30.363 25.3855 23.2284 25.3855 20.1211 GPRESSAVG: 2140600 -44.6439 32.3061 24.0027 31.6339 31.1162 23.9551 20.6722 27.9673 20.1945 TIMING: 2140600 CPU: 6392.72, 0.00298391/step Wall: 6392.72, 0.00298391/step, 2.37005 hours remaining, 207.792969 MB of memory in use. ENERGY: 2140600 764.6778 2067.5686 1939.1388 114.9473 -206379.3918 17927.9840 0.0000 0.0000 34368.9426 -149196.1327 300.1525 -183565.0753 -149104.5897 299.8604 104.3104 136.4529 557861.4716 2.0744 2.2223 PRESSURE: 2140800 163.267 -28.8635 35.4394 -28.8631 62.2651 107 35.4399 107.001 299.431 GPRESSURE: 2140800 205.175 -49.9617 31.572 -40.1735 59.3486 73.2423 53.3468 147.407 352.439 PRESSAVG: 2140800 -58.5243 22.1625 14.7999 22.1625 17.3962 -8.76195 14.7998 -8.76195 41.1131 GPRESSAVG: 2140800 -59.6146 23.2403 12.3904 21.8177 17.3212 -9.12356 19.0202 -8.31365 41.4744 TIMING: 2140800 CPU: 6393.31, 0.00295346/step Wall: 6393.31, 0.00295346/step, 2.3457 hours remaining, 207.792969 MB of memory in use. ENERGY: 2140800 723.8982 2159.5123 1923.1806 115.7658 -206453.0320 18276.1734 0.0000 0.0000 34182.2368 -149072.2649 298.5220 -183254.5017 -148983.4010 299.5923 174.9877 205.6541 558504.7213 -0.0050 -0.2730 PRESSURE: 2141000 -157.612 -121.43 99.5628 -121.431 -207.003 -19.677 99.5619 -19.6758 -170.504 GPRESSURE: 2141000 -106.216 -141.687 142.645 -141.058 -195.653 -11.2477 149.964 8.53516 -126.627 PRESSAVG: 2141000 -3.43395 2.21632 63.9005 2.21634 -2.80532 -14.399 63.9005 -14.399 19.9943 GPRESSAVG: 2141000 -1.83434 1.56104 65.0543 3.86333 -3.41067 -15.6564 61.748 -13.0286 18.9449 TIMING: 2141000 CPU: 6393.9, 0.00295148/step Wall: 6393.9, 0.00295148/step, 2.34397 hours remaining, 207.792969 MB of memory in use. ENERGY: 2141000 763.8419 2068.4447 1912.3545 99.9140 -206021.1209 17730.0855 0.0000 0.0000 34400.4719 -149046.0084 300.4279 -183446.4803 -148944.6088 299.8337 -178.3732 -142.8318 559914.7345 4.5850 4.5666 PRESSURE: 2141200 153.281 -304.616 128.345 -304.616 -309.347 40.9861 128.345 40.9848 -66.5758 GPRESSURE: 2141200 185.437 -200.365 146.708 -262.764 -254.004 -4.71225 70.7629 69.7271 -54.493 PRESSAVG: 2141200 25.9294 -19.8468 35.0684 -19.8468 -45.0218 -23.0168 35.0684 -23.0168 5.49889 GPRESSAVG: 2141200 24.6176 -20.2679 34.6471 -19.0893 -45.0078 -22.2129 35.9345 -25.1745 6.68427 TIMING: 2141200 CPU: 6394.5, 0.00297164/step Wall: 6394.5, 0.00297164/step, 2.35982 hours remaining, 207.792969 MB of memory in use. ENERGY: 2141200 721.0223 2105.3972 1948.1819 106.9159 -205730.2370 17486.5015 0.0000 0.0000 34245.9259 -149116.2923 299.0782 -183362.2181 -149014.5658 299.9677 -74.2139 -41.0200 556872.5490 -4.5312 -4.5687 PRESSURE: 2141400 5.39359 -88.6646 -149.911 -88.6653 -12.5284 -77.6384 -149.911 -77.6383 -131.158 GPRESSURE: 2141400 45.0032 -170.045 -159.503 -15.5329 4.22292 -128.166 -142.14 -106.826 -86.1612 PRESSAVG: 2141400 64.88 1.75543 42.8103 1.75542 -40.1154 -11.6851 42.8103 -11.685 -20.0946 GPRESSAVG: 2141400 64.0484 2.00744 43.1801 1.22782 -39.6166 -13.7417 42.305 -10.2034 -21.1797 TIMING: 2141400 CPU: 6395.09, 0.00294807/step Wall: 6395.09, 0.00294807/step, 2.34093 hours remaining, 207.792969 MB of memory in use. ENERGY: 2141400 738.3243 2097.1012 1918.5181 115.0282 -206157.3407 17703.8140 0.0000 0.0000 34501.0794 -149083.4754 301.3065 -183584.5549 -148982.2729 299.7319 -46.0976 -12.3117 556748.2492 1.5566 1.0840 PRESSURE: 2141600 -265.746 57.5026 61.2995 57.5021 103.534 -30.1826 61.299 -30.1834 -5.97025 GPRESSURE: 2141600 -248.844 165.166 126.559 -2.68096 138.408 10.7495 -51.5545 -19.5099 39.2819 PRESSAVG: 2141600 -23.7538 -14.2817 -16.5671 -14.2816 32.9191 -53.2369 -16.5671 -53.2369 14.9038 GPRESSAVG: 2141600 -22.8368 -13.0397 -16.1826 -16.5229 33.2567 -52.4155 -18.6374 -53.632 13.3387 TIMING: 2141600 CPU: 6395.68, 0.0029541/step Wall: 6395.68, 0.0029541/step, 2.34556 hours remaining, 207.792969 MB of memory in use. ENERGY: 2141600 745.0098 2136.0740 1914.5104 107.5622 -205770.9487 17532.9116 0.0000 0.0000 34365.4998 -148969.3809 300.1225 -183334.8807 -148880.1070 300.1389 -56.0606 -23.7181 557282.4573 8.0230 7.9195 PRESSURE: 2141800 41.3119 36.6357 233.271 36.637 -151.896 -26.1574 233.271 -26.1584 -95.1049 GPRESSURE: 2141800 79.6291 18.5828 263.671 25.5467 -107.478 -6.8864 183.904 -71.1633 -87.5695 PRESSAVG: 2141800 -26.4524 -57.9185 4.19248 -57.9186 -7.50224 -14.9082 4.19247 -14.9082 -14.1421 GPRESSAVG: 2141800 -27.1482 -60.1229 4.59312 -56.0788 -8.05448 -13.6883 4.86919 -15.5967 -13.3056 TIMING: 2141800 CPU: 6396.27, 0.00297717/step Wall: 6396.27, 0.00297717/step, 2.36371 hours remaining, 207.792969 MB of memory in use. ENERGY: 2141800 746.7800 2088.5951 1962.3386 98.5263 -205814.9960 17767.2886 0.0000 0.0000 34101.9981 -149049.4694 297.8212 -183151.4674 -148954.1111 300.0747 -68.5631 -38.4729 559294.7228 -16.0322 -16.1694 PRESSURE: 2142000 -27.4756 73.1901 39.8648 73.1897 -50.9181 2.81842 39.8652 2.81636 40.9332 GPRESSURE: 2142000 38.7565 76.6946 64.8152 -36.8891 -24.7538 57.1386 60.5433 61.4243 58.0221 PRESSAVG: 2142000 -37.9182 -0.650775 -11.125 -0.650777 20.4987 -39.5416 -11.1251 -39.5415 9.93123 GPRESSAVG: 2142000 -36.8331 -0.500566 -10.9514 -0.682887 19.863 -40.1926 -11.281 -38.6756 9.95185 TIMING: 2142000 CPU: 6396.87, 0.00296905/step Wall: 6396.87, 0.00296905/step, 2.3571 hours remaining, 207.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2142000 735.8451 2093.9804 1919.9892 118.4668 -206011.2097 17786.8874 0.0000 0.0000 34231.8694 -149124.1716 298.9554 -183356.0409 -149030.2045 299.3481 -12.4868 24.0083 558411.0070 -2.4961 -2.3394 PRESSURE: 2142200 -316.876 -28.7753 32.8257 -28.7751 -251.423 -99.3937 32.8267 -99.3946 -135.982 GPRESSURE: 2142200 -278.757 -68.5288 53.5925 59.805 -207.471 -72.8908 56.7965 -203.111 -127.722 PRESSAVG: 2142200 -65.4555 -20.82 69.1811 -20.82 21.6399 -18.1362 69.1811 -18.1361 -6.5815 GPRESSAVG: 2142200 -66.9326 -20.2901 69.3353 -18.957 22.7848 -17.286 68.8202 -19.6429 -6.43395 TIMING: 2142200 CPU: 6397.47, 0.00301047/step Wall: 6397.47, 0.00301047/step, 2.38981 hours remaining, 207.792969 MB of memory in use. ENERGY: 2142200 730.9185 2055.8503 1973.5212 109.9808 -205302.3568 17290.8078 0.0000 0.0000 34007.2139 -149134.0642 296.9935 -183141.2781 -149040.9234 299.1537 -234.7604 -204.6497 559407.8028 -16.7990 -16.8606 PRESSURE: 2142400 -140.206 -80.8006 -5.21525 -80.7999 -126.529 124.359 -5.21655 124.359 -58.2276 GPRESSURE: 2142400 -117.634 -90.6082 11.778 -40.9175 -93.7235 122.547 30.6797 83.011 -21.3524 PRESSAVG: 2142400 -48.4111 4.05204 4.96958 4.05193 37.8261 7.47572 4.96949 7.47561 50.2564 GPRESSAVG: 2142400 -49.4807 4.82826 3.29767 2.88858 37.9949 6.17619 5.98197 9.51236 50.9127 TIMING: 2142400 CPU: 6398.06, 0.00296536/step Wall: 6398.06, 0.00296536/step, 2.35383 hours remaining, 207.792969 MB of memory in use. ENERGY: 2142400 732.4064 2076.5359 1965.3730 120.8714 -206036.0587 17576.1659 0.0000 0.0000 34237.3479 -149327.3582 299.0033 -183564.7061 -149234.1594 299.1690 -108.3209 -77.5701 557672.3379 13.2238 13.1423 PRESSURE: 2142600 -29.1753 17.4644 -147.682 17.4641 -20.073 74.3639 -147.682 74.3619 -13.7918 GPRESSURE: 2142600 13.8267 -62.9418 -83.6341 44.5034 -25.7923 193.372 -196.202 -3.03673 62.5027 PRESSAVG: 2142600 -37.8747 -43.6504 4.3739 -43.6504 -35.1497 61.1864 4.37374 61.1863 33.6427 GPRESSAVG: 2142600 -34.9504 -45.0405 5.18095 -44.4665 -37.5722 62.3609 4.15778 58.8897 33.5841 TIMING: 2142600 CPU: 6398.65, 0.0029698/step Wall: 6398.65, 0.0029698/step, 2.35719 hours remaining, 207.792969 MB of memory in use. ENERGY: 2142600 717.7885 2075.4718 1943.6310 118.4570 -206047.9590 17640.4025 0.0000 0.0000 34282.1135 -149270.0947 299.3942 -183552.2082 -149170.4985 299.6338 -21.0134 16.8457 555902.1443 -13.1272 -12.9795 PRESSURE: 2142800 -172.762 -18.7526 -10.2273 -18.7523 72.803 -56.4096 -10.2284 -56.4082 -134.782 GPRESSURE: 2142800 -152.788 -58.8428 -12.9477 -31.4385 121.282 -82.2898 -63.2677 -65.2189 -94.802 PRESSAVG: 2142800 -82.1287 -102.189 16.3171 -102.189 -12.8643 38.3408 16.317 38.3409 25.8717 GPRESSAVG: 2142800 -84.0938 -101.594 15.1119 -102.287 -11.3611 38.2623 16.3485 38.8755 26.5241 TIMING: 2142800 CPU: 6399.24, 0.00293918/step Wall: 6399.24, 0.00293918/step, 2.33273 hours remaining, 207.792969 MB of memory in use. ENERGY: 2142800 775.9402 2092.5969 1930.6868 123.9488 -206428.7289 17999.0273 0.0000 0.0000 34253.1012 -149253.4276 299.1409 -183506.5288 -149158.6883 299.0549 -78.2471 -42.1026 559055.3722 -23.0404 -22.9769 PRESSURE: 2143000 -208.926 36.4842 111.7 36.4829 -51.97 -161.61 111.701 -161.612 -228.161 GPRESSURE: 2143000 -154.065 26.8015 193.856 46.457 -102.638 -39.3109 80.3081 -222.764 -137.438 PRESSAVG: 2143000 -68.454 -5.91524 10.3385 -5.91522 -1.61787 -29.9577 10.3385 -29.9577 17.7212 GPRESSAVG: 2143000 -67.8552 -6.53152 12.0073 -5.13871 -1.39806 -31.0912 10.761 -28.6037 16.7219 TIMING: 2143000 CPU: 6399.84, 0.0029743/step Wall: 6399.84, 0.0029743/step, 2.36043 hours remaining, 207.792969 MB of memory in use. ENERGY: 2143000 731.8055 2091.2550 1948.6967 117.0638 -206020.1153 17611.2951 0.0000 0.0000 34439.6847 -149080.3145 300.7703 -183519.9992 -148989.8366 298.6213 -163.0189 -131.3803 558141.7600 -17.4503 -17.5104 PRESSURE: 2143200 0.984844 47.4654 -124.281 47.4661 -32.7846 -226.692 -124.282 -226.693 -163.015 GPRESSURE: 2143200 2.62484 62.5746 -166.581 60.73 50.524 -198.301 -151.356 -207.605 -150.316 PRESSAVG: 2143200 55.6344 28.3642 37.0206 28.3643 -10.8426 -3.78267 37.0206 -3.78268 -28.8404 GPRESSAVG: 2143200 56.0414 29.5922 35.3205 27.788 -10.8125 -2.39888 36.4865 -4.35208 -29.4537 TIMING: 2143200 CPU: 6400.43, 0.00298638/step Wall: 6400.43, 0.00298638/step, 2.36986 hours remaining, 207.792969 MB of memory in use. ENERGY: 2143200 742.3456 2095.0379 1906.0037 111.7552 -205574.2806 17618.2416 0.0000 0.0000 34304.3213 -148796.5752 299.5882 -183100.8966 -148707.5079 300.0706 -64.9383 -32.3889 559044.9921 5.3171 5.2584 PRESSURE: 2143400 34.9144 -10.1728 -94.6989 -10.1743 -195.952 -90.3953 -94.6989 -90.3943 -28.757 GPRESSURE: 2143400 56.1634 2.21809 -95.2865 -39.5819 -150.712 -33.5958 -88.606 -106.799 9.3484 PRESSAVG: 2143400 7.68597 -19.5285 -29.5255 -19.5284 81.5476 -61.0218 -29.5254 -61.0216 -63.139 GPRESSAVG: 2143400 6.71846 -18.0383 -28.7912 -22.4418 81.3207 -61.4517 -27.7613 -59.6949 -61.571 TIMING: 2143400 CPU: 6401.03, 0.00296487/step Wall: 6401.03, 0.00296487/step, 2.35262 hours remaining, 207.792969 MB of memory in use. ENERGY: 2143400 749.6108 2109.5830 1935.6880 101.0306 -205623.6608 17592.2235 0.0000 0.0000 34302.4261 -148833.0987 299.5716 -183135.5248 -148733.4489 300.5961 -63.2648 -28.4001 557019.3528 8.6982 8.8227 PRESSURE: 2143600 -15.0335 -123.164 132.511 -123.164 182.26 -107.872 132.511 -107.873 -119.582 GPRESSURE: 2143600 58.4687 -144.32 192.498 -123.038 165.42 -117.281 60.8877 -14.7484 -78.4417 PRESSAVG: 2143600 28.371 27.7112 2.73193 27.7112 22.0052 -30.3706 2.73197 -30.3706 -61.4057 GPRESSAVG: 2143600 29.9686 26.4269 2.31212 30.0005 21.6733 -29.5871 -0.198707 -30.6336 -62.3015 TIMING: 2143600 CPU: 6401.62, 0.00297658/step Wall: 6401.62, 0.00297658/step, 2.36175 hours remaining, 207.792969 MB of memory in use. ENERGY: 2143600 729.1716 2085.9543 1935.3668 123.6115 -205656.2488 17629.5390 0.0000 0.0000 34272.6029 -148880.0027 299.3112 -183152.6055 -148789.4856 300.3400 15.8817 48.4824 557216.9454 -3.6765 -3.5532 PRESSURE: 2143800 49.8717 282.944 26.2513 282.944 4.85932 -347.098 26.2505 -347.097 -62.299 GPRESSURE: 2143800 41.941 302.575 38.3034 241.062 -1.5666 -328.62 -19.7429 -336.939 50.2691 PRESSAVG: 2143800 6.63009 -35.5721 -5.90978 -35.5722 -15.0233 -28.0784 -5.90983 -28.0784 37.4807 GPRESSAVG: 2143800 6.2363 -36.8487 -7.43466 -33.9835 -14.42 -26.6074 -5.73687 -28.5085 37.0257 TIMING: 2143800 CPU: 6402.21, 0.00295866/step Wall: 6402.21, 0.00295866/step, 2.34737 hours remaining, 207.792969 MB of memory in use. ENERGY: 2143800 762.5855 2109.7503 1931.6100 123.5203 -205856.6369 17773.7711 0.0000 0.0000 34274.3101 -148881.0896 299.3261 -183155.3997 -148780.7439 299.9306 -2.5227 30.2145 556686.5944 9.6958 9.6140 PRESSURE: 2144000 -210.127 -45.7819 9.07493 -45.7833 -18.6448 76.0958 9.07463 76.0958 -74.1122 GPRESSURE: 2144000 -178.022 -14.9746 51.8855 -59.0045 -18.9132 94.9337 -44.8446 48.6231 -7.39078 PRESSAVG: 2144000 70.4991 -21.8223 13.6768 -21.8224 -28.0212 -17.2536 13.6768 -17.2536 -53.117 GPRESSAVG: 2144000 69.5765 -20.436 15.8619 -24.3392 -29.3248 -19.9996 13.1563 -16.2145 -51.0907 TIMING: 2144000 CPU: 6402.81, 0.00299324/step Wall: 6402.81, 0.00299324/step, 2.37464 hours remaining, 207.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2144000 729.7150 2091.2424 1943.0747 109.7886 -205599.1911 17386.5024 0.0000 0.0000 34391.6557 -148947.2122 300.3509 -183338.8679 -148850.8491 300.4550 -100.9614 -68.1088 556595.5256 -3.5464 -3.6130 PRESSURE: 2144200 -90.8489 -5.30809 139.632 -5.30777 -208.36 -9.25631 139.632 -9.25608 -416.437 GPRESSURE: 2144200 -25.9345 98.5542 105.81 -50.2004 -237.132 -75.8592 148.359 -43.5662 -370.557 PRESSAVG: 2144200 -23.8617 6.69228 3.19021 6.69223 43.8989 6.66644 3.19027 6.66634 -5.71875 GPRESSAVG: 2144200 -23.4038 5.7345 1.75828 6.64607 44.1632 7.98611 3.69572 5.89544 -7.46494 TIMING: 2144200 CPU: 6403.41, 0.00300164/step Wall: 6403.41, 0.00300164/step, 2.38113 hours remaining, 207.792969 MB of memory in use. ENERGY: 2144200 760.5768 2084.6859 1910.6479 121.1382 -205678.4383 17488.5189 0.0000 0.0000 34317.5216 -148995.3491 299.7035 -183312.8707 -148897.5069 299.7045 -238.5487 -211.2081 558211.8042 4.7728 4.4315 LDB: ============= START OF LOAD BALANCING ============== 6406.96 LDB: ============== END OF LOAD BALANCING =============== 6406.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6406.96 LDB: ============= START OF LOAD BALANCING ============== 6407.27 LDB: Largest compute 4773 load 0.031964 is 27.0% of average load 0.118236 LDB: Average compute 0.001729 is 1.5% of average load 0.118236 LDB: TIME 6407.27 LOAD: AVG 0.118236 MAX 0.203183 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.309 MB LDB: TIME 6407.27 LOAD: AVG 0.118236 MAX 0.203183 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.309 MB LDB: TIME 6407.27 LOAD: AVG 0.118236 MAX 0.203183 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.309 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6407.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6407.27 PRESSURE: 2144400 -77.2558 -135.449 80.3501 -135.448 -179.774 34.4747 80.3505 34.4744 217.048 GPRESSURE: 2144400 -51.1009 -92.2137 117.615 -202.204 -112.027 95.5653 118.922 47.181 227.503 PRESSAVG: 2144400 -45.6601 -21.6406 -16.6454 -21.6405 2.54136 79.2471 -16.6454 79.2471 28.1394 GPRESSAVG: 2144400 -45.9055 -20.5201 -14.3102 -22.0035 1.90594 78.2901 -15.6174 80.8473 29.3256 TIMING: 2144400 CPU: 6404.02, 0.00305045/step Wall: 6404.02, 0.00305045/step, 2.41968 hours remaining, 208.101562 MB of memory in use. ENERGY: 2144400 777.9773 2065.9320 1926.6011 122.6237 -206313.4098 17883.7129 0.0000 0.0000 34434.8794 -149101.6835 300.7284 -183536.5629 -149005.6424 300.4664 -13.3273 21.4585 557497.4245 -4.9931 -4.8913 PRESSURE: 2144600 -101.204 -290.96 -28.4286 -290.961 -38.7677 110.283 -28.4278 110.284 -73.5882 GPRESSURE: 2144600 -10.1654 -300.805 -70.6523 -294.976 -31.4765 138.784 -18.912 109.426 -81.9249 PRESSAVG: 2144600 -61.916 -52.0399 25.208 -52.0399 28.5818 102.727 25.208 102.727 61.2435 GPRESSAVG: 2144600 -60.4434 -51.8802 24.6518 -51.6813 28.8738 105.164 25.2768 98.9784 59.504 TIMING: 2144600 CPU: 6404.62, 0.0029852/step Wall: 6404.62, 0.0029852/step, 2.36776 hours remaining, 208.300781 MB of memory in use. ENERGY: 2144600 732.5093 2080.5089 1950.8900 101.4501 -206027.4423 17598.5257 0.0000 0.0000 34415.8243 -149147.7339 300.5620 -183563.5583 -149049.9722 299.3910 -71.1865 -41.1889 557349.2531 9.3031 9.3115 PRESSURE: 2144800 -243.402 227.377 -249.578 227.378 -142.099 30.7509 -249.578 30.752 -113.23 GPRESSURE: 2144800 -159.031 203.117 -259.419 215.204 -136.641 12.1727 -179.623 78.1103 -110.337 PRESSAVG: 2144800 -34.6245 -47.0988 -50.7624 -47.0987 77.7655 10.2357 -50.7624 10.2357 -21.2938 GPRESSAVG: 2144800 -36.005 -48.6727 -51.5466 -46.644 77.7643 9.75118 -51.1116 11.5763 -20.8256 TIMING: 2144800 CPU: 6405.21, 0.00297011/step Wall: 6405.21, 0.00297011/step, 2.35563 hours remaining, 208.300781 MB of memory in use. ENERGY: 2144800 744.9800 2069.4417 1951.5512 113.1367 -205473.8079 17409.7734 0.0000 0.0000 34174.8023 -149010.1225 298.4570 -183184.9248 -148909.3424 299.7924 -166.2436 -135.3365 558215.0403 7.2824 6.9779 PRESSURE: 2145000 12.1417 -155.73 -63.9518 -155.73 230.033 -54.9713 -63.9529 -54.9727 -89.4961 GPRESSURE: 2145000 69.3345 -75.0183 -88.142 -200.429 228.529 -52.9382 -42.2098 -87.9404 -51.27 PRESSAVG: 2145000 -11.8399 -12.5874 -61.5505 -12.5875 -4.40903 -6.08879 -61.5504 -6.08873 -31.6359 GPRESSAVG: 2145000 -12.3434 -11.8244 -59.4992 -14.7073 -4.35669 -7.15566 -62.5954 -3.81216 -31.6187 TIMING: 2145000 CPU: 6405.81, 0.00296976/step Wall: 6405.81, 0.00296976/step, 2.35518 hours remaining, 208.300781 MB of memory in use. ENERGY: 2145000 717.9161 2084.0961 1925.9199 116.6348 -206014.7737 17803.1370 0.0000 0.0000 34441.7348 -148925.3350 300.7882 -183367.0698 -148829.4056 299.8010 50.8929 82.1977 558004.0107 -15.9616 -16.1063 PRESSURE: 2145200 -186.165 5.62788 16.4444 5.62757 -33.3904 -168.475 16.4438 -168.477 -86.5885 GPRESSURE: 2145200 -127.972 -6.52654 -56.9333 35.5078 -21.802 -99.7058 42.6847 -197.994 -60.5395 PRESSAVG: 2145200 33.787 -25.1123 -7.81082 -25.1121 103.321 0.772487 -7.81085 0.772433 -97.0788 GPRESSAVG: 2145200 34.1154 -26.9449 -7.51365 -22.898 103.673 2.09565 -6.41324 -0.89123 -97.5274 TIMING: 2145200 CPU: 6406.4, 0.00297841/step Wall: 6406.4, 0.00297841/step, 2.36188 hours remaining, 208.300781 MB of memory in use. ENERGY: 2145200 726.5903 2057.4033 1919.9647 117.9470 -205896.1860 17610.5979 0.0000 0.0000 34427.2395 -149036.4432 300.6616 -183463.6827 -148938.3118 300.0243 -102.0479 -70.1045 557163.5415 13.3430 13.4204 PRESSURE: 2145400 -160.021 -108.735 -50.1307 -108.735 -12.2035 -110.374 -50.1307 -110.372 67.4044 GPRESSURE: 2145400 -114.46 -87.559 -64.7525 -76.0614 -14.1852 -134.954 -122.761 -140.74 114.678 PRESSAVG: 2145400 -16.2111 36.9699 -32.6054 36.9698 -20.3785 -16.8823 -32.6053 -16.8823 21.9193 GPRESSAVG: 2145400 -15.9401 38.3319 -35.5401 35.663 -21.524 -15.3339 -34.215 -17.1008 22.2873 TIMING: 2145400 CPU: 6407.01, 0.00300375/step Wall: 6407.01, 0.00300375/step, 2.38181 hours remaining, 208.300781 MB of memory in use. ENERGY: 2145400 736.5832 2070.0514 1937.0550 117.4993 -205898.8704 17774.5356 0.0000 0.0000 34378.0794 -148885.0665 300.2323 -183263.1459 -148784.2351 299.7747 -34.9399 -4.6560 558915.5328 -4.8901 -5.0589 PRESSURE: 2145600 109.113 -289.447 -11.6835 -289.447 75.8008 -64.2139 -11.6847 -64.2151 -166.662 GPRESSURE: 2145600 123.147 -248.393 34.5233 -371.56 155.274 -77.6453 -59.276 -145.598 -166.918 PRESSAVG: 2145600 4.65842 -27.3403 -46.5643 -27.3403 64.7752 24.0292 -46.5643 24.0291 -33.5857 GPRESSAVG: 2145600 4.34681 -28.328 -46.344 -25.7692 65.1122 21.8222 -46.482 23.8655 -33.9058 TIMING: 2145600 CPU: 6407.61, 0.00300799/step Wall: 6407.61, 0.00300799/step, 2.385 hours remaining, 208.300781 MB of memory in use. ENERGY: 2145600 724.4863 2090.2150 1963.4576 97.6819 -205991.5189 17657.1674 0.0000 0.0000 34392.4133 -149066.0975 300.3575 -183458.5107 -148968.3435 300.1772 6.0839 37.1679 556458.4670 11.9493 11.8511 PRESSURE: 2145800 4.11804 27.6391 227.233 27.6401 140.955 -27.7508 227.233 -27.7484 186.93 GPRESSURE: 2145800 52.2653 46.188 251.173 40.2149 157.732 -24.8028 250.659 13.2932 244.318 PRESSAVG: 2145800 -32.1354 -19.3415 -2.88717 -19.3415 59.5148 10.3866 -2.88713 10.3867 -49.1205 GPRESSAVG: 2145800 -32.6303 -20.3247 -3.77041 -19.9598 59.947 9.93431 -1.33006 10.2937 -48.2629 TIMING: 2145800 CPU: 6408.21, 0.00299126/step Wall: 6408.21, 0.00299126/step, 2.37157 hours remaining, 208.300781 MB of memory in use. ENERGY: 2145800 726.2989 2112.6504 1955.8687 111.7913 -206176.3034 17901.8930 0.0000 0.0000 34255.8433 -149111.9577 299.1648 -183367.8010 -149018.2036 299.9149 110.6675 151.4383 557019.4586 -7.2471 -6.9821 PRESSURE: 2146000 36.09 -100.733 1.803 -100.733 -385.246 -43.7243 1.80247 -43.725 -20.7028 GPRESSURE: 2146000 64.5915 -148.825 78.6032 -101.124 -325.525 -51.3599 -17.0125 4.40061 -16.2045 PRESSAVG: 2146000 23.8384 35.7262 8.07297 35.7262 -63.6385 43.0657 8.07302 43.0657 83.173 GPRESSAVG: 2146000 23.468 37.1421 10.4103 37.3553 -62.1109 44.2636 7.99083 43.5444 82.1558 TIMING: 2146000 CPU: 6408.81, 0.00301505/step Wall: 6408.81, 0.00301505/step, 2.39027 hours remaining, 208.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2146000 732.9238 2136.8595 1926.3821 111.9650 -205590.7356 17497.8708 0.0000 0.0000 34140.4774 -149044.2569 298.1573 -183184.7344 -148945.2338 300.2930 -123.2864 -92.3794 559202.3644 14.4577 14.5043 PRESSURE: 2146200 -32.9416 172.484 27.1696 172.483 -87.1132 33.061 27.1695 33.0622 -76.2368 GPRESSURE: 2146200 -19.4466 165.681 -22.088 148.387 -53.2472 -14.4086 23.2762 42.5006 -26.9622 PRESSAVG: 2146200 53.604 -17.2112 0.573536 -17.2111 -57.9484 18.3275 0.573562 18.3275 3.67008 GPRESSAVG: 2146200 54.4387 -16.0401 0.675005 -19.1301 -58.253 16.9449 2.0368 18.149 3.96784 TIMING: 2146200 CPU: 6409.41, 0.00302084/step Wall: 6409.41, 0.00302084/step, 2.39468 hours remaining, 208.300781 MB of memory in use. ENERGY: 2146200 732.3575 2088.9486 1957.0172 102.2262 -205995.3440 17683.5686 0.0000 0.0000 34432.0393 -148999.1866 300.7036 -183431.2259 -148905.9130 299.3829 -65.4306 -33.2187 557302.2281 -0.2248 0.0512 PRESSURE: 2146400 68.0323 -148.355 -35.3916 -148.354 190.369 -78.818 -35.3922 -78.8164 -86.9987 GPRESSURE: 2146400 81.2832 -125.658 13.4743 -85.7829 199.078 -138.911 -44.5975 -82.4805 -27.4372 PRESSAVG: 2146400 -4.24205 -2.28872 -33.3051 -2.28878 26.0942 10.5413 -33.305 10.5415 20.2144 GPRESSAVG: 2146400 -5.71765 -3.1491 -34.3233 -4.07799 26.076 12.338 -33.6427 11.5282 21.2965 TIMING: 2146400 CPU: 6410.01, 0.0029883/step Wall: 6410.01, 0.0029883/step, 2.36873 hours remaining, 208.300781 MB of memory in use. ENERGY: 2146400 708.8416 2098.0937 1930.5535 99.7213 -206022.1902 17762.1289 0.0000 0.0000 34335.3212 -149087.5301 299.8589 -183422.8513 -148985.5584 300.0645 57.1341 84.3079 557594.3904 14.0222 13.8849 PRESSURE: 2146600 -237.25 104.749 -206.393 104.748 -196.427 -126.698 -206.394 -126.697 -265.583 GPRESSURE: 2146600 -207.639 134.822 -190.987 -8.21769 -185.03 -32.7035 -188.662 -159.539 -205.233 PRESSAVG: 2146600 2.69827 -34.1802 -4.18458 -34.1803 -12.9066 40.2123 -4.18457 40.2124 7.20509 GPRESSAVG: 2146600 4.66263 -33.0097 -2.35023 -33.805 -14.2469 41.506 -5.42656 39.1139 6.9168 TIMING: 2146600 CPU: 6410.6, 0.00296374/step Wall: 6410.6, 0.00296374/step, 2.34909 hours remaining, 208.300781 MB of memory in use. ENERGY: 2146600 737.2197 2100.4241 1964.8291 108.7444 -205691.7156 17463.2307 0.0000 0.0000 34267.2868 -149049.9809 299.2647 -183317.2676 -148949.6276 300.3883 -233.0863 -199.3005 557397.4505 -1.0011 -0.8892 PRESSURE: 2146800 -21.531 126.382 -149.439 126.382 -120.476 81.4495 -149.438 81.449 -280.183 GPRESSURE: 2146800 8.17213 104.367 -173.826 153.519 -86.0192 174.418 -97.3549 93.8782 -243.846 PRESSAVG: 2146800 32.4641 -2.06743 4.18642 -2.06737 -62.4689 21.5335 4.18645 21.5335 -6.76868 GPRESSAVG: 2146800 32.9381 -3.08794 4.49763 0.0952783 -62.2552 20.6446 6.08074 22.2146 -7.02341 TIMING: 2146800 CPU: 6411.2, 0.00296561/step Wall: 6411.2, 0.00296561/step, 2.35041 hours remaining, 208.300781 MB of memory in use. ENERGY: 2146800 752.8962 2104.5728 1915.8319 105.6706 -206129.1157 17713.5245 0.0000 0.0000 34440.5508 -149096.0689 300.7779 -183536.6197 -148991.7537 299.8557 -140.7299 -107.2312 558159.4827 -12.2578 -12.1135 PRESSURE: 2147000 -331.312 31.0212 -60.6685 31.0215 -93.4348 -89.4901 -60.67 -89.4911 -101.674 GPRESSURE: 2147000 -323.386 70.5374 -24.7653 27.9112 -79.416 -181.04 -36.4027 -78.4574 -31.4856 PRESSAVG: 2147000 18.1181 -17.1266 -79.9679 -17.1265 4.64526 3.7035 -79.9679 3.70359 34.2566 GPRESSAVG: 2147000 17.3636 -17.3068 -81.5437 -16.4347 4.95544 3.78155 -81.8076 3.07911 35.0984 TIMING: 2147000 CPU: 6411.79, 0.00296769/step Wall: 6411.79, 0.00296769/step, 2.3519 hours remaining, 208.300781 MB of memory in use. ENERGY: 2147000 782.1963 2095.2292 1958.1226 105.4519 -206027.3367 17710.5439 0.0000 0.0000 34202.9118 -149172.8811 298.7025 -183375.7929 -149072.4960 299.9419 -175.4738 -144.7627 558965.6991 19.0067 19.1392 PRESSURE: 2147200 -267.058 45.2203 -74.9389 45.2198 -30.853 47.052 -74.9387 47.0512 -98.8535 GPRESSURE: 2147200 -171.178 9.31256 -36.511 49.5533 -57.5593 87.7293 -120.478 -22.1215 -70.0142 PRESSAVG: 2147200 -27.143 23.9297 -51.3865 23.9297 2.33808 -9.13485 -51.3866 -9.13482 0.987829 GPRESSAVG: 2147200 -27.856 23.1009 -50.5442 23.7603 2.69604 -7.83767 -51.5447 -8.35744 1.29488 TIMING: 2147200 CPU: 6412.38, 0.00294953/step Wall: 6412.38, 0.00294953/step, 2.33734 hours remaining, 208.300781 MB of memory in use. ENERGY: 2147200 789.9730 2113.1743 1945.2973 110.1774 -206523.8651 17844.7165 0.0000 0.0000 34283.5694 -149436.9573 299.4069 -183720.5267 -149336.4322 299.2536 -132.2549 -99.5838 557290.7488 -7.9390 -7.9550 PRESSURE: 2147400 -300.776 135.026 -116.652 135.025 -87.3552 -98.2967 -116.652 -98.2978 -163.319 GPRESSURE: 2147400 -257.564 199.638 -116.297 101.909 -56.261 -140.406 -91.9704 -34.4591 -141.405 PRESSAVG: 2147400 -22.1211 22.9358 64.9748 22.9357 53.8319 -46.9999 64.9747 -46.9999 5.20649 GPRESSAVG: 2147400 -21.5188 23.0998 65.5609 21.961 52.5579 -47.8555 66.3152 -47.0191 6.14557 TIMING: 2147400 CPU: 6412.98, 0.00298314/step Wall: 6412.98, 0.00298314/step, 2.36381 hours remaining, 208.300781 MB of memory in use. ENERGY: 2147400 753.2201 2121.6416 1937.4801 111.1687 -206434.2933 17757.4237 0.0000 0.0000 34333.2307 -149420.1284 299.8406 -183753.3592 -149318.8464 299.3744 -183.8168 -151.7431 556908.2505 12.3058 12.3949 PRESSURE: 2147600 -37.006 -170.608 -72.7979 -170.607 -110.035 71.7703 -72.7978 71.7707 126.247 GPRESSURE: 2147600 -16.8927 -170.408 -114.107 -121.391 -93.7754 108.962 -67.161 122.642 188.663 PRESSAVG: 2147600 -15.0384 -50.0535 -4.63414 -50.0536 -28.6727 -22.1659 -4.63409 -22.1658 4.71417 GPRESSAVG: 2147600 -13.4946 -49.5548 -6.60292 -49.4223 -29.2166 -23.2493 -5.73074 -21.8532 4.13761 TIMING: 2147600 CPU: 6413.57, 0.00295847/step Wall: 6413.57, 0.00295847/step, 2.3441 hours remaining, 208.300781 MB of memory in use. ENERGY: 2147600 779.2748 2034.0444 1961.8125 112.7466 -206655.8740 18086.3055 0.0000 0.0000 34398.2672 -149283.4230 300.4086 -183681.6903 -149182.5439 298.8422 -6.9311 25.9982 556573.1033 -12.9990 -12.8579 PRESSURE: 2147800 8.61652 90.7869 -89.0555 90.7876 -23.5993 215.902 -89.056 215.902 -54.3554 GPRESSURE: 2147800 18.4073 53.5049 -152.862 86.0486 3.53187 156.828 -5.66663 252.359 1.27545 PRESSAVG: 2147800 -16.1726 -27.9721 -29.4795 -27.9722 -15.0274 28.2965 -29.4794 28.2965 62.9658 GPRESSAVG: 2147800 -16.7556 -29.8099 -29.927 -28.3269 -15.4635 29.3056 -28.0506 27.2983 64.2081 TIMING: 2147800 CPU: 6414.16, 0.00295085/step Wall: 6414.16, 0.00295085/step, 2.33789 hours remaining, 208.300781 MB of memory in use. ENERGY: 2147800 774.3823 2061.0057 1924.5364 124.8576 -206536.7586 17952.1043 0.0000 0.0000 34161.5406 -149538.3317 298.3412 -183699.8722 -149437.2921 299.7097 -23.1127 7.7382 557613.3138 10.5886 10.6630 PRESSURE: 2148000 -187.236 16.6831 -114.394 16.6839 83.6898 -32.7456 -114.394 -32.7448 -93.9594 GPRESSURE: 2148000 -133.108 -14.1619 -36.9886 59.0491 104.466 -7.77699 -207.984 -69.9963 -75.3343 PRESSAVG: 2148000 -12.4494 22.8048 -33.3667 22.8049 7.09899 -7.16484 -33.3667 -7.16479 -31.2803 GPRESSAVG: 2148000 -11.476 25.2871 -31.8723 23.8655 8.2323 -7.96516 -32.8161 -7.46502 -33.1255 TIMING: 2148000 CPU: 6414.75, 0.00295275/step Wall: 6414.75, 0.00295275/step, 2.33924 hours remaining, 208.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2148000 740.3133 2100.8155 1930.7517 101.4270 -206442.5761 17619.5413 0.0000 0.0000 34226.3552 -149723.3721 298.9073 -183949.7273 -149623.2327 299.2348 -65.8353 -34.6590 556184.6374 -12.2103 -12.1231 PRESSURE: 2148200 -60.2294 27.7485 7.29489 27.7483 128.337 -33.4437 7.29585 -33.4434 108.691 GPRESSURE: 2148200 -30.2319 -26.0782 0.585246 12.5542 158.833 -73.6557 81.5797 17.4196 165.772 PRESSAVG: 2148200 -19.8719 -44.5912 -9.28682 -44.5913 -10.3611 8.09032 -9.28671 8.09033 31.2179 GPRESSAVG: 2148200 -20.4133 -44.112 -10.5028 -46.9306 -11.1014 9.36252 -7.72204 9.47298 32.684 TIMING: 2148200 CPU: 6415.34, 0.00295771/step Wall: 6415.34, 0.00295771/step, 2.343 hours remaining, 208.300781 MB of memory in use. ENERGY: 2148200 745.8074 2044.0116 1930.5460 106.8710 -206680.4333 17933.4440 0.0000 0.0000 34221.8088 -149697.9445 298.8676 -183919.7533 -149601.3298 298.5021 58.9328 98.1242 554770.1250 0.3283 0.3898 LDB: ============= START OF LOAD BALANCING ============== 6418.88 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6418.88 LDB: =============== DONE WITH MIGRATION ================ 6418.89 LDB: ============= START OF LOAD BALANCING ============== 6419.18 LDB: Largest compute 4773 load 0.030092 is 25.4% of average load 0.118249 LDB: Average compute 0.001725 is 1.5% of average load 0.118249 LDB: TIME 6419.19 LOAD: AVG 0.118249 MAX 0.200259 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.82 MB LDB: TIME 6419.19 LOAD: AVG 0.118249 MAX 0.200259 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.027 MB LDB: TIME 6419.19 LOAD: AVG 0.118249 MAX 0.200259 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.027 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6419.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6419.19 PRESSURE: 2148400 -284.565 64.3151 -137.002 64.315 -257.812 82.2288 -137.001 82.2276 -188.903 GPRESSURE: 2148400 -250.843 36.1161 -153.776 24.1138 -179.253 35.3575 -93.7653 143.36 -198.394 PRESSAVG: 2148400 21.7769 -13.4995 2.55937 -13.4996 15.5391 -0.594719 2.55943 -0.594876 -36.7185 GPRESSAVG: 2148400 21.0899 -14.8825 3.895 -12.3243 17.0635 -0.172571 1.03346 -0.763998 -37.7288 TIMING: 2148400 CPU: 6415.94, 0.0030085/step Wall: 6415.94, 0.0030085/step, 2.38307 hours remaining, 206.242188 MB of memory in use. ENERGY: 2148400 734.1766 2093.8146 1942.7723 111.6824 -206113.9989 17342.6599 0.0000 0.0000 34270.6653 -149618.2278 299.2942 -183888.8931 -149520.9628 299.0099 -243.7598 -209.4967 556495.5935 0.1992 0.1415 PRESSURE: 2148600 32.1456 145.739 15.1013 145.739 -7.27025 -107.494 15.1014 -107.494 -77.1864 GPRESSURE: 2148600 88.4764 178.075 0.14337 121.452 27.3254 -186.923 68.6645 -58.3395 -74.0002 PRESSAVG: 2148600 49.3352 19.4305 -36.3524 19.4305 -77.0997 -24.0667 -36.3525 -24.0667 39.7438 GPRESSAVG: 2148600 49.4758 18.3346 -36.1171 20.0201 -77.9164 -24.471 -35.3771 -24.7179 40.1261 TIMING: 2148600 CPU: 6416.53, 0.00295496/step Wall: 6416.53, 0.00295496/step, 2.34049 hours remaining, 206.445312 MB of memory in use. ENERGY: 2148600 733.7632 2130.5299 1934.6792 108.5529 -206280.3851 17746.0853 0.0000 0.0000 34304.6772 -149322.0974 299.5913 -183626.7746 -149227.9405 298.8792 -17.4370 13.9339 556871.6771 3.9931 3.8951 PRESSURE: 2148800 -241.85 66.5459 60.1286 66.5453 -39.9178 224.603 60.1285 224.603 -109.441 GPRESSURE: 2148800 -236.639 153.741 79.5908 106.654 3.16489 228.574 49.7088 176.95 -56.8932 PRESSAVG: 2148800 -10.5605 29.412 -4.41999 29.412 -1.85042 15.4252 -4.4201 15.4253 -1.05068 GPRESSAVG: 2148800 -10.697 31.3095 -4.94065 29.6154 -0.965906 13.4748 -7.21592 14.0817 -2.1194 TIMING: 2148800 CPU: 6417.13, 0.00297054/step Wall: 6417.13, 0.00297054/step, 2.35267 hours remaining, 206.445312 MB of memory in use. ENERGY: 2148800 766.6843 2099.5409 1955.4806 118.4796 -206266.9171 17686.2270 0.0000 0.0000 34146.2539 -149494.2507 298.2077 -183640.5046 -149403.2799 299.1284 -130.4030 -96.7891 555793.2967 -4.4872 -4.5941 PRESSURE: 2149000 51.4121 -119.796 114.903 -119.797 -291.325 -17.3462 114.902 -17.3471 -78.3753 GPRESSURE: 2149000 71.1424 -162.962 125.42 -138.863 -269.688 24.2835 96.1452 -111.439 -9.87116 PRESSAVG: 2149000 40.4172 -29.4197 32.0453 -29.4197 -15.3062 24.0941 32.0453 24.094 3.43245 GPRESSAVG: 2149000 40.7166 -29.5783 30.6643 -30.9489 -16.8631 24.1783 34.017 26.6472 4.81234 TIMING: 2149000 CPU: 6417.72, 0.00297324/step Wall: 6417.72, 0.00297324/step, 2.35464 hours remaining, 206.445312 MB of memory in use. ENERGY: 2149000 742.3780 2104.7322 1941.0498 113.9995 -206194.2154 17660.0372 0.0000 0.0000 34249.3453 -149382.6733 299.1081 -183632.0186 -149281.4567 298.8945 -106.0961 -69.4724 557202.4842 9.5145 9.5553 PRESSURE: 2149200 233.507 -60.1727 -136.93 -60.1741 34.9502 -49.793 -136.929 -49.7929 272.251 GPRESSURE: 2149200 288.722 -20.4146 -20.9149 -89.0381 63.6049 -61.027 -207.485 -76.8259 288.672 PRESSAVG: 2149200 -7.68409 -50.1579 45.9344 -50.1578 -38.932 -23.1576 45.9345 -23.1576 77.7633 GPRESSAVG: 2149200 -8.02921 -52.7524 47.1076 -47.8217 -38.3006 -21.7759 46.2946 -23.0737 76.7069 TIMING: 2149200 CPU: 6418.31, 0.0029675/step Wall: 6418.31, 0.0029675/step, 2.34993 hours remaining, 206.445312 MB of memory in use. ENERGY: 2149200 752.5803 2082.1613 1929.6323 113.6412 -206859.2534 18262.6760 0.0000 0.0000 34349.3943 -149369.1680 299.9818 -183718.5623 -149274.7688 299.2956 180.2362 213.6663 555425.7363 10.3824 10.1257 PRESSURE: 2149400 -217.205 143.327 -20.3811 143.325 -9.34426 -24.8033 -20.3813 -24.8017 -263.467 GPRESSURE: 2149400 -166.015 151.08 -1.24974 150.05 -12.7734 -50.3084 -77.1987 -59.3156 -222.595 PRESSAVG: 2149400 -13.8478 -34.7433 -63.8149 -34.7433 -6.05508 -37.8231 -63.8149 -37.823 8.30311 GPRESSAVG: 2149400 -13.7939 -31.4807 -63.1732 -36.0777 -6.36373 -37.4485 -65.5633 -38.3523 8.16637 TIMING: 2149400 CPU: 6418.91, 0.00297049/step Wall: 6418.91, 0.00297049/step, 2.35213 hours remaining, 206.445312 MB of memory in use. ENERGY: 2149400 735.4347 2093.9577 1949.0127 95.8902 -205746.8406 17438.7153 0.0000 0.0000 34080.5615 -149353.2684 297.6340 -183433.8299 -149255.5959 299.2935 -163.3386 -133.7945 558533.4873 -3.8666 -3.9971 PRESSURE: 2149600 63.4773 25.4501 -81.7653 25.4512 132.183 -31.4691 -81.7645 -31.4689 -82.8228 GPRESSURE: 2149600 118.737 -50.3624 -72.9904 60.982 62.3869 31.4436 -29.5449 -44.2963 25.3757 PRESSAVG: 2149600 -0.0854776 -31.2744 -4.73146 -31.2743 10.9537 -14.2141 -4.73143 -14.2142 -32.1437 GPRESSAVG: 2149600 -0.0492521 -33.4986 -6.79557 -31.0547 10.5753 -15.1858 -3.74944 -14.9712 -32.2872 TIMING: 2149600 CPU: 6419.5, 0.00294165/step Wall: 6419.5, 0.00294165/step, 2.32913 hours remaining, 206.445312 MB of memory in use. ENERGY: 2149600 735.8949 2027.4333 1930.2642 108.0951 -206023.3664 17931.5293 0.0000 0.0000 34067.7770 -149222.3726 297.5224 -183290.1496 -149125.0482 298.5663 37.6126 68.8332 558494.4854 -7.0919 -7.2537 PRESSURE: 2149800 161.141 -102.221 -130.557 -102.222 -154.034 -32.5289 -130.556 -32.5281 305.113 GPRESSURE: 2149800 221.247 -136.065 -77.0767 -96.3885 -104.313 -22.5138 -162.146 -21.3098 300.335 PRESSAVG: 2149800 21.9363 -35.1641 -24.7551 -35.1642 18.4964 1.80495 -24.7552 1.80508 -4.91968 GPRESSAVG: 2149800 21.4504 -35.585 -21.6766 -33.8768 18.6388 2.55309 -27.3964 3.10798 -4.73099 TIMING: 2149800 CPU: 6420.09, 0.0029725/step Wall: 6420.09, 0.0029725/step, 2.35339 hours remaining, 206.445312 MB of memory in use. ENERGY: 2149800 749.5433 2064.5457 1896.9371 103.2433 -206339.0351 17940.2660 0.0000 0.0000 34226.3651 -149358.1347 298.9074 -183584.4999 -149271.3094 298.9053 104.0734 139.0894 557784.8733 11.8377 11.7861 PRESSURE: 2150000 -136.341 -31.7421 -71.4689 -31.7422 -299.761 -86.5529 -71.4694 -86.5538 32.7924 GPRESSURE: 2150000 -138.091 -125.801 -44.9506 -30.5621 -211.161 -165.146 -4.12098 -7.30687 33.7131 PRESSAVG: 2150000 21.6655 -48.0245 -47.1935 -48.0247 -69.4372 -3.25788 -47.1935 -3.25789 72.8162 GPRESSAVG: 2150000 22.6606 -46.829 -48.0858 -49.7347 -70.5658 -3.38243 -45.7519 -2.93704 72.9275 TIMING: 2150000 CPU: 6420.69, 0.00299839/step Wall: 6420.69, 0.00299839/step, 2.37373 hours remaining, 206.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2150000 739.5721 2063.0197 1925.4952 110.8781 -206251.6797 17711.3946 0.0000 0.0000 34359.8913 -149341.4287 300.0735 -183701.3200 -149243.3726 298.8169 -134.4365 -105.1797 558081.6389 8.3482 8.3407 PRESSURE: 2150200 -74.9975 -4.62613 -33.201 -4.62712 -241.137 -3.94019 -33.1996 -3.94076 -184.517 GPRESSURE: 2150200 -63.6836 10.0581 -66.8742 -28.2766 -157.117 -25.8089 16.2455 16.1396 -176.444 PRESSAVG: 2150200 23.602 -0.00481418 -13.1995 -0.00481044 -62.9438 -10.267 -13.1997 -10.2671 15.9061 GPRESSAVG: 2150200 22.475 0.788395 -12.5306 -1.31596 -62.1053 -11.9094 -13.0998 -9.91488 15.6108 TIMING: 2150200 CPU: 6421.29, 0.0030001/step Wall: 6421.29, 0.0030001/step, 2.37492 hours remaining, 206.511719 MB of memory in use. ENERGY: 2150200 764.2572 2056.8404 1913.1395 117.4220 -206474.5492 17821.0427 0.0000 0.0000 34330.4423 -149471.4050 299.8163 -183801.8474 -149378.9974 298.3217 -166.8838 -132.4149 559175.3847 -7.8119 -8.0065 PRESSURE: 2150400 -182.87 11.578 -131.85 11.579 -99.2844 -74.6273 -131.851 -74.6274 -43.5451 GPRESSURE: 2150400 -157.01 52.8895 -2.18656 40.2482 -78.2382 -62.9837 -230.677 -74.2033 4.27355 PRESSAVG: 2150400 35.5984 -12.0612 -19.8868 -12.0611 1.19079 -69.9515 -19.8868 -69.9515 -41.7871 GPRESSAVG: 2150400 34.9527 -13.72 -20.3806 -9.00649 1.95358 -69.2581 -18.9731 -70.6999 -41.3622 TIMING: 2150400 CPU: 6421.89, 0.00298528/step Wall: 6421.89, 0.00298528/step, 2.36301 hours remaining, 206.511719 MB of memory in use. ENERGY: 2150400 722.2143 2040.7194 1941.8678 110.7048 -205966.2190 17597.1906 0.0000 0.0000 34146.7418 -149406.7803 298.2120 -183553.5221 -149308.9461 298.3560 -108.5666 -76.9914 557503.9993 -1.6660 -1.4853 PRESSURE: 2150600 -0.104453 73.0299 25.9349 73.0305 -55.0606 77.4032 25.9359 77.4044 116.856 GPRESSURE: 2150600 83.6257 34.435 75.1423 132.082 -4.73863 84.8128 95.4325 45.2108 92.4179 PRESSAVG: 2150600 -24.1148 -6.08638 43.2195 -6.08647 31.3533 -50.498 43.2195 -50.4979 0.358788 GPRESSAVG: 2150600 -23.8715 -6.72227 43.9782 -5.62352 31.5001 -51.3767 42.3067 -49.7199 -0.579095 TIMING: 2150600 CPU: 6422.48, 0.00297579/step Wall: 6422.48, 0.00297579/step, 2.35534 hours remaining, 206.511719 MB of memory in use. ENERGY: 2150600 726.3428 2074.5186 1901.9747 114.4725 -206396.7622 17979.3803 0.0000 0.0000 34233.2710 -149366.8022 298.9677 -183600.0732 -149265.5718 299.4527 20.5635 57.1016 557902.0744 2.5324 2.3499 PRESSURE: 2150800 -137.698 41.4293 48.9161 41.4276 -15.4737 -62.0614 48.9161 -62.0599 -58.9737 GPRESSURE: 2150800 -78.1939 32.799 43.9735 14.3702 73.2644 -5.67555 21.5138 -46.5055 -101.183 PRESSAVG: 2150800 18.1318 15.2954 -38.8336 15.2954 7.96524 -28.6344 -38.8336 -28.6343 -36.8995 GPRESSAVG: 2150800 18.7682 16.7488 -38.6762 14.1773 7.09878 -28.4128 -38.7321 -27.9509 -36.774 TIMING: 2150800 CPU: 6423.08, 0.00299803/step Wall: 6423.08, 0.00299803/step, 2.37278 hours remaining, 206.511719 MB of memory in use. ENERGY: 2150800 742.4020 2122.0858 1943.1671 103.0712 -205935.9049 17637.2524 0.0000 0.0000 34111.6035 -149276.3229 297.9051 -183387.9264 -149177.1613 298.7802 -70.7151 -35.3707 557356.3833 -3.6008 -3.6357 PRESSURE: 2151000 -150.732 -14.3189 116.998 -14.3178 -7.44138 -89.2277 116.998 -89.2264 -159.04 GPRESSURE: 2151000 -91.8043 -25.0001 65.6238 -24.9516 -14.7056 -82.0994 144.808 -125.422 -114.846 PRESSAVG: 2151000 -34.8319 11.1276 -38.4658 11.1277 1.97259 5.97642 -38.4658 5.97636 11.8472 GPRESSAVG: 2151000 -34.7956 12.4521 -41.3247 9.54589 2.37055 7.77901 -38.8496 4.02162 11.4929 TIMING: 2151000 CPU: 6423.68, 0.00298502/step Wall: 6423.68, 0.00298502/step, 2.36231 hours remaining, 206.511719 MB of memory in use. ENERGY: 2151000 787.1766 2068.5379 1917.3305 98.2462 -206145.6535 17629.0939 0.0000 0.0000 34113.4323 -149531.8360 297.9211 -183645.2683 -149434.6491 298.6858 -105.7378 -73.7854 557647.0045 -7.0040 -6.9774 PRESSURE: 2151200 4.25715 -45.1584 -32.3041 -45.1587 112.981 -70.261 -32.3041 -70.2609 268.886 GPRESSURE: 2151200 12.7628 -17.5117 -3.22114 -83.6377 166.059 -12.2655 13.3634 -69.3237 299.842 PRESSAVG: 2151200 -80.9293 -14.9818 5.58839 -14.9819 16.2399 -7.53749 5.58844 -7.53752 51.1613 GPRESSAVG: 2151200 -79.7784 -16.2253 6.45024 -13.9361 15.3772 -9.79057 7.61078 -6.44191 50.9222 TIMING: 2151200 CPU: 6424.28, 0.00297376/step Wall: 6424.28, 0.00297376/step, 2.35323 hours remaining, 206.511719 MB of memory in use. ENERGY: 2151200 726.9828 2089.5467 1944.4561 115.7199 -206540.8554 18208.8942 0.0000 0.0000 34007.7847 -149447.4711 296.9984 -183455.2558 -149353.1673 298.2571 128.7081 159.5548 557309.8367 -4.5094 -4.4930 PRESSURE: 2151400 33.6638 98.6773 71.3101 98.6772 -180.954 -7.73983 71.3098 -7.73955 109.897 GPRESSURE: 2151400 49.626 59.8173 48.6476 70.1494 -156.082 30.9001 146.286 44.7794 154.99 PRESSAVG: 2151400 -2.12704 -62.1359 -5.18052 -62.1359 -24.8847 58.6845 -5.18045 58.6844 32.8823 GPRESSAVG: 2151400 -4.16158 -62.9356 -3.29514 -61.949 -23.8209 59.6488 -7.31787 57.577 33.7523 TIMING: 2151400 CPU: 6424.87, 0.00296385/step Wall: 6424.87, 0.00296385/step, 2.34523 hours remaining, 206.511719 MB of memory in use. ENERGY: 2151400 787.8037 2084.7736 1933.7577 117.9502 -206411.5578 17845.1341 0.0000 0.0000 33992.8882 -149649.2502 296.8683 -183642.1385 -149550.8839 298.4801 -12.4645 16.1779 556832.8062 1.9568 1.9233 PRESSURE: 2151600 -400.246 73.8395 13.3671 73.8391 35.6814 118.799 13.3674 118.798 -249.763 GPRESSURE: 2151600 -302.163 72.1919 10.0603 76.2856 14.2528 96.3573 -9.54555 144.193 -220.197 PRESSAVG: 2151600 -55.8419 64.4819 32.2542 64.482 -15.6686 51.3351 32.2541 51.3352 38.8092 GPRESSAVG: 2151600 -54.8389 65.3459 31.0366 64.201 -16.2253 49.8603 32.475 51.3744 38.1076 TIMING: 2151600 CPU: 6425.46, 0.0029646/step Wall: 6425.46, 0.0029646/step, 2.34566 hours remaining, 206.511719 MB of memory in use. ENERGY: 2151600 732.7079 2125.1692 1913.7216 116.5873 -206293.2449 17552.9157 0.0000 0.0000 34282.2490 -149569.8942 299.3954 -183852.1432 -149474.2367 298.1593 -204.7759 -169.3690 558242.7157 -10.9004 -10.9855 PRESSURE: 2151800 10.1094 -189.809 -45.8863 -189.809 309.796 30.7397 -45.8866 30.7389 103.59 GPRESSURE: 2151800 -3.87523 -130.053 32.0552 -165.93 427.861 7.91064 -115.161 18.9227 108.405 PRESSAVG: 2151800 1.3297 11.1209 32.5576 11.1208 -5.30817 -26.5923 32.5576 -26.5924 5.3829 GPRESSAVG: 2151800 1.59895 11.9366 35.9165 11.5764 -5.16936 -27.4524 31.926 -24.9673 5.10857 TIMING: 2151800 CPU: 6426.05, 0.002948/step Wall: 6426.05, 0.002948/step, 2.33236 hours remaining, 206.511719 MB of memory in use. ENERGY: 2151800 739.3569 2069.2835 1936.1360 99.7915 -206884.4148 18124.4274 0.0000 0.0000 34231.4624 -149683.9570 298.9519 -183915.4194 -149592.4849 298.2950 141.1649 177.4634 557025.8116 0.4681 0.5127 PRESSURE: 2152000 -251.062 -160.653 26.4043 -160.652 -46.8004 129.367 26.4027 129.365 -88.4024 GPRESSURE: 2152000 -167.455 -126.734 57.0523 -83.1488 -55.5598 162.448 -46.0296 122.92 -53.3568 PRESSAVG: 2152000 -51.6843 49.194 35.0455 49.1941 -57.3281 -22.6024 35.0455 -22.6023 79.6512 GPRESSAVG: 2152000 -51.3925 48.6172 33.6034 47.8522 -58.9224 -19.0996 35.4208 -25.1518 80.9383 TIMING: 2152000 CPU: 6426.64, 0.00296469/step Wall: 6426.64, 0.00296469/step, 2.3454 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2152000 754.0841 2044.8375 1942.7778 110.2314 -206175.5372 17515.4926 0.0000 0.0000 34271.9973 -149536.1164 299.3059 -183808.1137 -149446.8461 298.7850 -128.7549 -92.1240 556987.0641 -9.7871 -9.7922 PRESSURE: 2152200 -210.875 48.2397 113.963 48.2396 13.3423 -30.8461 113.962 -30.847 -173.843 GPRESSURE: 2152200 -108.128 89.2123 99.3818 64.401 8.81016 41.1244 4.93342 -118.09 -183.468 PRESSAVG: 2152200 11.0327 29.6453 -14.0992 29.6453 -36.1848 17.073 -14.0993 17.0729 11.0074 GPRESSAVG: 2152200 10.9648 30.7199 -14.1731 29.1993 -35.1419 15.0255 -12.7754 16.5221 9.93238 TIMING: 2152200 CPU: 6427.24, 0.00298221/step Wall: 6427.24, 0.00298221/step, 2.35909 hours remaining, 206.511719 MB of memory in use. ENERGY: 2152200 765.4981 2049.4724 1958.3324 119.2088 -206085.8477 17534.4752 0.0000 0.0000 34327.0223 -149331.8384 299.7864 -183658.8607 -149221.2684 299.3531 -123.7917 -94.2620 556295.2400 -4.7149 -4.7482 LDB: ============= START OF LOAD BALANCING ============== 6430.79 LDB: ============== END OF LOAD BALANCING =============== 6430.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6430.79 LDB: ============= START OF LOAD BALANCING ============== 6431.09 LDB: Largest compute 4773 load 0.032261 is 27.3% of average load 0.118241 LDB: Average compute 0.001728 is 1.5% of average load 0.118241 LDB: TIME 6431.09 LOAD: AVG 0.118241 MAX 0.19984 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.309 MB LDB: TIME 6431.09 LOAD: AVG 0.118241 MAX 0.19984 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.309 MB LDB: TIME 6431.09 LOAD: AVG 0.118241 MAX 0.19984 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.309 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6431.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6431.09 PRESSURE: 2152400 -108.722 -117.495 61.8567 -117.496 -174.656 56.7915 61.8579 56.7914 -210.283 GPRESSURE: 2152400 -113.976 -55.2206 23.604 -170.619 -92.1158 91.1333 0.27844 -34.2679 -177.941 PRESSAVG: 2152400 -23.9086 -14.4891 37.5075 -14.4891 -24.0645 23.0351 37.5075 23.0351 54.4611 GPRESSAVG: 2152400 -25.0775 -16.0305 36.2601 -14.9511 -23.8244 22.0568 36.9162 24.024 55.276 TIMING: 2152400 CPU: 6427.84, 0.00301976/step Wall: 6427.84, 0.00301976/step, 2.38863 hours remaining, 206.109375 MB of memory in use. ENERGY: 2152400 741.0875 2089.6617 1942.1917 123.7132 -206071.9803 17629.9395 0.0000 0.0000 34252.0445 -149293.3423 299.1316 -183545.3868 -149197.5489 299.3684 -164.5538 -128.0111 557759.3472 2.1626 2.1247 PRESSURE: 2152600 -1.9934 56.6084 -118.436 56.6084 84.1245 -75.4564 -118.438 -75.456 290.716 GPRESSURE: 2152600 -0.453487 30.0507 -37.2049 83.5579 124.136 -10.1112 -131.091 -91.918 347.857 PRESSAVG: 2152600 -0.461195 29.2193 -19.1324 29.2194 -61.9721 6.2356 -19.1325 6.23568 106.519 GPRESSAVG: 2152600 -0.3048 31.4725 -17.4451 29.6687 -61.4948 8.7189 -19.9969 5.24072 105.376 TIMING: 2152600 CPU: 6428.44, 0.00296683/step Wall: 6428.44, 0.00296683/step, 2.3466 hours remaining, 206.148438 MB of memory in use. ENERGY: 2152600 740.2660 2091.2386 1925.7899 106.8936 -206493.6157 18104.7397 0.0000 0.0000 34484.9844 -149039.7034 301.1659 -183524.6878 -148938.0945 300.1351 124.2823 157.1799 558255.7521 14.6951 14.5254 PRESSURE: 2152800 26.3537 99.9028 12.1821 99.9029 -81.8552 -36.9207 12.1813 -36.9223 -110.944 GPRESSURE: 2152800 67.5384 12.2554 21.436 152.091 -75.7441 -11.199 -28.5546 -79.8766 -63.4751 PRESSAVG: 2152800 3.0609 27.7929 -37.9004 27.7929 14.2236 33.6725 -37.9004 33.6724 0.117562 GPRESSAVG: 2152800 3.17374 26.544 -38.8707 26.9968 14.236 31.9557 -37.55 36.2639 0.383615 TIMING: 2152800 CPU: 6429.03, 0.00295564/step Wall: 6429.03, 0.00295564/step, 2.33758 hours remaining, 206.148438 MB of memory in use. ENERGY: 2152800 763.7670 2091.0095 1909.1338 114.8918 -206302.8110 17797.3924 0.0000 0.0000 34308.7782 -149317.8383 299.6271 -183626.6165 -149212.6403 299.7054 -55.4817 -23.8936 557179.5456 5.8007 5.9311 PRESSURE: 2153000 -64.0276 -87.375 -97.5935 -87.3755 -149.871 -54.4484 -97.5948 -54.4484 -361.614 GPRESSURE: 2153000 -29.0254 -50.1488 -92.9668 -81.6037 -96.4968 -55.5157 -233.212 -50.8279 -343.209 PRESSAVG: 2153000 14.4996 28.0154 -23.7107 28.0153 -18.4754 -4.85375 -23.7107 -4.85373 -21.5313 GPRESSAVG: 2153000 14.2313 28.3132 -24.9519 29.6282 -18.3569 -3.7035 -23.7486 -6.32041 -21.8924 TIMING: 2153000 CPU: 6429.62, 0.00295611/step Wall: 6429.62, 0.00295611/step, 2.33779 hours remaining, 206.148438 MB of memory in use. ENERGY: 2153000 746.1368 2063.0323 1894.0274 104.5710 -206138.4154 17663.1949 0.0000 0.0000 34319.5487 -149347.9043 299.7212 -183667.4530 -149248.4211 299.6265 -191.8375 -156.2437 558291.7589 -8.5024 -8.6727 PRESSURE: 2153200 -355.046 28.3561 -3.87915 28.3548 -93.0896 -45.0174 -3.87947 -45.0195 -26.3723 GPRESSURE: 2153200 -308.562 4.8231 24.931 44.9377 -123.339 -23.5724 -52.9551 -93.9227 61.0026 PRESSAVG: 2153200 67.1996 28.4786 -53.8994 28.4786 -26.0782 -22.2094 -53.8994 -22.2094 7.27529 GPRESSAVG: 2153200 67.488 27.0356 -53.2123 27.9929 -26.8727 -23.5408 -53.3027 -21.6266 7.93731 TIMING: 2153200 CPU: 6430.21, 0.00296486/step Wall: 6430.21, 0.00296486/step, 2.34455 hours remaining, 206.148438 MB of memory in use. ENERGY: 2153200 758.2612 2127.3792 1921.9651 98.2742 -206166.8850 17802.6256 0.0000 0.0000 34267.1625 -149191.2172 299.2637 -183458.3796 -149095.6956 299.4621 -158.1694 -123.6330 558075.0918 16.1322 16.1842 PRESSURE: 2153400 264.699 0.145871 -128.236 0.145517 33.7865 35.8079 -128.234 35.8074 -35.9399 GPRESSURE: 2153400 308.662 2.13878 -23.8118 49.5394 62.5694 33.6044 -111.866 56.6985 -5.06726 PRESSAVG: 2153400 5.57184 14.3331 -31.2056 14.3332 49.0333 -30.0394 -31.2056 -30.0394 -9.62431 GPRESSAVG: 2153400 5.44621 18.1979 -28.8909 11.954 49.3338 -30.4672 -32.2509 -30.5956 -9.4826 TIMING: 2153400 CPU: 6430.81, 0.00298444/step Wall: 6430.81, 0.00298444/step, 2.35986 hours remaining, 206.148438 MB of memory in use. ENERGY: 2153400 748.8140 2115.1775 1928.3553 118.0228 -206521.8327 18040.9827 0.0000 0.0000 34387.3509 -149183.1296 300.3133 -183570.4805 -149087.7926 299.0808 87.5153 122.0548 557110.1665 14.9936 15.0991 PRESSURE: 2153600 -73.3035 -51.2646 -78.3663 -51.2643 -212.656 75.414 -78.3649 75.4135 -152.705 GPRESSURE: 2153600 -105.323 -134.266 -77.1089 -65.9363 -172.72 11.2567 -18.1708 36.1276 -53.1748 PRESSAVG: 2153600 -19.4433 39.898 -96.2595 39.8981 13.4232 -11.0796 -96.2595 -11.0795 17.1689 GPRESSAVG: 2153600 -19.0283 35.3742 -98.1603 41.3946 14.286 -9.82668 -95.1435 -9.31265 15.7329 TIMING: 2153600 CPU: 6431.41, 0.00301388/step Wall: 6431.41, 0.00301388/step, 2.38297 hours remaining, 206.148438 MB of memory in use. ENERGY: 2153600 766.9112 2097.2536 1906.3329 104.9428 -206302.5961 17728.3037 0.0000 0.0000 34222.4865 -149476.3653 298.8735 -183698.8519 -149374.5392 298.4469 -146.2214 -110.4057 556518.6724 3.7163 3.6636 PRESSURE: 2153800 54.076 -25.8219 60.2233 -25.8228 186.149 117.635 60.2234 117.635 92.3461 GPRESSURE: 2153800 119.778 -13.4107 117.714 57.04 193.9 162.72 38.8747 168.204 139.675 PRESSAVG: 2153800 18.2999 1.39336 -51.0283 1.39342 -34.9797 41.0664 -51.0283 41.0665 13.7861 GPRESSAVG: 2153800 17.3557 1.85798 -53.0304 2.00531 -35.4259 40.1085 -50.9422 41.1752 15.4851 TIMING: 2153800 CPU: 6432.01, 0.00297218/step Wall: 6432.01, 0.00297218/step, 2.34984 hours remaining, 206.148438 MB of memory in use. ENERGY: 2153800 744.3962 2091.3826 1934.8315 108.2799 -206288.4887 17791.0606 0.0000 0.0000 34245.7076 -149372.8302 299.0763 -183618.5379 -149276.4773 298.3111 110.8571 151.1177 555514.7457 -0.9645 -0.8617 PRESSURE: 2154000 -13.1649 5.62998 -25.1566 5.6305 218.334 57.7056 -25.1568 57.7053 41.5368 GPRESSURE: 2154000 40.7066 -56.1038 -90.9943 -1.6112 201.977 48.6164 -8.87976 -59.0732 102.534 PRESSAVG: 2154000 3.47291 -39.0509 -7.24219 -39.051 3.40715 -34.6337 -7.24223 -34.6338 30.6716 GPRESSAVG: 2154000 4.53032 -37.7821 -5.91356 -37.5678 1.76983 -36.2359 -8.07486 -33.9606 31.4369 TIMING: 2154000 CPU: 6432.6, 0.00295042/step Wall: 6432.6, 0.00295042/step, 2.33247 hours remaining, 206.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2154000 724.1884 2108.8755 1941.9315 116.9713 -206139.8582 17757.5969 0.0000 0.0000 34143.4315 -149346.8631 298.1831 -183490.2946 -149253.9799 298.9515 82.2353 115.0725 555876.5965 12.5172 12.5790 PRESSURE: 2154200 -111.311 -69.5666 185.21 -69.5663 -194.04 155.631 185.21 155.629 -106.458 GPRESSURE: 2154200 -97.4363 -59.5753 205.644 -102.922 -151.095 160.067 257.548 208.662 -57.8377 PRESSAVG: 2154200 20.7567 -58.3786 3.40164 -58.3784 -50.0202 13.5954 3.40169 13.5953 18.0541 GPRESSAVG: 2154200 19.7637 -58.2586 3.8856 -59.7842 -47.611 16.4835 3.55255 12.6859 16.4881 TIMING: 2154200 CPU: 6433.19, 0.00296696/step Wall: 6433.19, 0.00296696/step, 2.34539 hours remaining, 206.148438 MB of memory in use. ENERGY: 2154200 727.8598 2024.7412 1944.9882 107.3065 -205834.8142 17490.8308 0.0000 0.0000 34018.7519 -149520.3359 297.0942 -183539.0878 -149430.2778 298.0277 -137.2697 -102.1231 556345.7660 -3.7365 -3.7864 PRESSURE: 2154400 -133.376 209.571 -88.8718 209.57 -72.9915 66.614 -88.8711 66.6131 54.7519 GPRESSURE: 2154400 -68.8799 137.736 -97.6371 190.145 -100.053 153.337 -92.6964 -16.4373 117.867 PRESSAVG: 2154400 -2.682 -18.6877 -31.2159 -18.6878 12.6687 80.6878 -31.2159 80.6878 -33.4238 GPRESSAVG: 2154400 -2.29035 -20.0866 -33.5603 -18.5814 11.7336 79.2936 -28.9454 80.2576 -32.605 TIMING: 2154400 CPU: 6433.79, 0.00297872/step Wall: 6433.79, 0.00297872/step, 2.35451 hours remaining, 206.148438 MB of memory in use. ENERGY: 2154400 741.2812 2080.4776 1917.0439 103.7379 -206127.3983 17675.7117 0.0000 0.0000 34236.1883 -149372.9576 298.9931 -183609.1459 -149274.6738 298.4677 -50.5386 -17.0218 557377.5252 -7.8124 -7.7206 PRESSURE: 2154600 61.4581 -55.9994 242.041 -55.9985 27.4687 15.6121 242.041 15.6116 -62.9151 GPRESSURE: 2154600 106.987 -71.2406 256.68 -33.7734 103.505 87.3618 230.755 -45.5045 -74.5963 PRESSAVG: 2154600 -21.058 43.635 -5.09816 43.635 -2.31547 -2.52113 -5.09803 -2.52113 -4.0611 GPRESSAVG: 2154600 -20.0607 44.4785 -1.93226 42.6787 -3.18684 -3.94517 -8.1497 -1.90995 -3.85788 TIMING: 2154600 CPU: 6434.38, 0.00295404/step Wall: 6434.38, 0.00295404/step, 2.33484 hours remaining, 206.148438 MB of memory in use. ENERGY: 2154600 742.4198 2002.2559 1918.5734 111.1088 -206456.3610 17946.3185 0.0000 0.0000 34263.3009 -149472.3837 299.2299 -183735.6846 -149374.6886 298.6473 8.6705 45.2985 556646.4911 -9.1449 -9.0351 PRESSURE: 2154800 -363.682 -55.6271 58.7274 -55.6273 -50.2057 -37.7575 58.7267 -37.7581 163.781 GPRESSURE: 2154800 -328.299 -77.9699 13.3177 23.3924 4.26817 -46.2 -27.9833 -25.8067 172.059 PRESSAVG: 2154800 -35.5295 -11.4372 3.64336 -11.4372 -16.6448 -19.3291 3.64343 -19.329 20.5391 GPRESSAVG: 2154800 -37.0204 -9.91195 1.82373 -9.08325 -16.5528 -19.67 3.41558 -20.5459 21.6044 TIMING: 2154800 CPU: 6434.96, 0.00293966/step Wall: 6434.96, 0.00293966/step, 2.32331 hours remaining, 206.148438 MB of memory in use. ENERGY: 2154800 735.4984 2026.6774 1931.4417 105.8640 -206358.0257 17709.9631 0.0000 0.0000 34248.1102 -149600.4709 299.0973 -183848.5811 -149505.8979 298.2069 -83.3691 -50.6573 557374.2671 -10.5451 -10.6562 PRESSURE: 2155000 -91.0984 11.0733 118.178 11.0737 -63.9988 179.932 118.177 179.931 -2.9639 GPRESSURE: 2155000 -129.225 101.664 125.117 -45.6647 9.69513 255.101 117.891 98.5971 56.5486 PRESSAVG: 2155000 -18.6289 -22.0838 24.4176 -22.0837 12.3026 20.4189 24.4177 20.4189 25.5218 GPRESSAVG: 2155000 -17.4939 -23.164 23.6031 -23.91 13.6968 21.6974 23.1853 19.0546 23.0696 TIMING: 2155000 CPU: 6435.56, 0.00296292/step Wall: 6435.56, 0.00296292/step, 2.34153 hours remaining, 206.148438 MB of memory in use. ENERGY: 2155000 739.5266 2085.6404 1917.2113 113.6525 -206386.6396 17710.0304 0.0000 0.0000 34168.3288 -149652.2497 298.4005 -183820.5785 -149559.1401 298.1579 -52.6870 -20.9939 557133.9815 6.3985 6.4242 PRESSURE: 2155200 4.49665 52.0759 -34.9588 52.0758 -278.336 95.9061 -34.9601 95.9063 -136.734 GPRESSURE: 2155200 -10.3286 10.6962 -13.9603 125.255 -234.01 -7.35758 3.55045 111.968 -82.8697 PRESSAVG: 2155200 9.95645 -65.0767 -22.0556 -65.0767 11.9643 20.7603 -22.0556 20.7604 -18.6606 GPRESSAVG: 2155200 9.59605 -64.449 -20.7484 -64.296 11.5331 21.739 -20.5561 21.8191 -17.6028 TIMING: 2155200 CPU: 6436.15, 0.00296213/step Wall: 6436.15, 0.00296213/step, 2.34074 hours remaining, 206.148438 MB of memory in use. ENERGY: 2155200 745.5976 2044.1738 1939.3094 109.7817 -206399.7404 17766.2455 0.0000 0.0000 34237.2409 -149557.3915 299.0023 -183794.6323 -149460.6892 297.7357 -136.8581 -109.0694 556731.8171 1.0867 1.1754 PRESSURE: 2155400 -88.3159 -231.846 -16.8612 -231.846 -59.1689 -102.42 -16.8606 -102.42 273.908 GPRESSURE: 2155400 -61.1516 -278.891 64.0885 -146.562 34.865 -85.9335 -75.4621 -141.461 253.645 PRESSAVG: 2155400 -8.17803 -53.0049 -6.45984 -53.0049 33.1147 41.7521 -6.45983 41.7521 -12.4681 GPRESSAVG: 2155400 -7.50298 -54.3963 -5.28412 -52.3853 33.0686 39.882 -5.61414 42.3288 -12.9861 TIMING: 2155400 CPU: 6436.74, 0.00297233/step Wall: 6436.74, 0.00297233/step, 2.34864 hours remaining, 206.148438 MB of memory in use. ENERGY: 2155400 704.4274 2100.4223 1938.7788 109.2391 -206272.1487 17695.1885 0.0000 0.0000 34220.6697 -149503.4230 298.8576 -183724.0926 -149407.2372 297.8954 42.1411 75.7860 556846.4458 4.1562 4.1932 PRESSURE: 2155600 -165.093 -123.958 -22.3188 -123.958 -91.5901 54.8183 -22.3188 54.8206 -27.2249 GPRESSURE: 2155600 -126.907 -176.08 -58.7889 -37.0274 -90.8542 112.974 -68.9564 11.0014 54.6631 PRESSAVG: 2155600 -29.8203 6.50213 24.8002 6.5021 9.60264 28.8713 24.8001 28.8713 7.83136 GPRESSAVG: 2155600 -30.1136 8.66844 22.9706 5.63269 9.85818 28.9321 24.7119 30.1012 7.43729 TIMING: 2155600 CPU: 6437.34, 0.00297846/step Wall: 6437.34, 0.00297846/step, 2.35331 hours remaining, 206.148438 MB of memory in use. ENERGY: 2155600 754.8251 2058.5758 1932.8728 108.3122 -206442.1568 17885.1703 0.0000 0.0000 34418.5858 -149283.8147 300.5861 -183702.4006 -149189.3910 299.0006 -94.6359 -54.3662 558158.7223 -4.1288 -4.2727 PRESSURE: 2155800 -1.75782 54.0766 -87.7208 54.0767 57.5277 -131.591 -87.721 -131.591 -184.058 GPRESSURE: 2155800 62.3369 84.2945 -92.3144 23.9407 44.5707 -144.408 -65.3522 -26.2137 -129.766 PRESSAVG: 2155800 -21.4539 -31.9233 4.64755 -31.9233 29.8468 35.8985 4.64768 35.8985 11.3829 GPRESSAVG: 2155800 -21.6865 -32.7824 6.34327 -31.7126 28.3723 35.9354 1.04135 37.4648 12.3106 TIMING: 2155800 CPU: 6437.93, 0.00296214/step Wall: 6437.93, 0.00296214/step, 2.34026 hours remaining, 206.148438 MB of memory in use. ENERGY: 2155800 773.5433 2101.6635 1902.5998 106.8499 -206568.5706 17985.5656 0.0000 0.0000 34514.8794 -149183.4691 301.4270 -183698.3486 -149080.7173 299.6648 -42.7628 -7.6194 556886.7430 6.5919 6.3322 PRESSURE: 2156000 -289.934 16.5179 119.756 16.5188 -45.5014 96.6547 119.757 96.6545 -163.052 GPRESSURE: 2156000 -259.154 25.609 204.79 -29.2805 -1.58205 93.1262 0.724573 88.2699 -143.714 PRESSAVG: 2156000 -73.3792 7.30867 31.0837 7.30868 78.9664 12.5671 31.0837 12.567 -9.10227 GPRESSAVG: 2156000 -72.9091 5.94512 31.9161 7.8983 79.0628 11.9117 32.5825 9.45905 -9.8299 TIMING: 2156000 CPU: 6438.52, 0.00294953/step Wall: 6438.52, 0.00294953/step, 2.33013 hours remaining, 206.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2156000 715.2520 2068.6188 1905.5098 106.5320 -205728.6459 17409.8713 0.0000 0.0000 34301.9645 -149220.8974 299.5676 -183522.8620 -149118.1387 299.5621 -166.1626 -134.8168 558126.9079 -1.1717 -1.2254 PRESSURE: 2156200 4.54129 -163.915 100.874 -163.917 -28.7742 -106.671 100.873 -106.671 166.303 GPRESSURE: 2156200 42.1584 -100.584 -12.1881 -175.052 9.25524 -136.121 221.008 -77.656 182.144 PRESSAVG: 2156200 -3.13572 32.183 21.916 32.183 14.5001 -1.26855 21.916 -1.26849 -8.05779 GPRESSAVG: 2156200 -4.6562 33.1235 21.3048 31.6908 15.0047 -0.537712 24.4514 1.18465 -7.13691 TIMING: 2156200 CPU: 6439.11, 0.00293767/step Wall: 6439.11, 0.00293767/step, 2.3206 hours remaining, 206.148438 MB of memory in use. ENERGY: 2156200 729.7049 2046.8652 1958.9133 103.5740 -206019.8165 17912.0842 0.0000 0.0000 34325.9908 -148942.6840 299.7774 -183268.6748 -148852.2066 299.7247 47.3567 77.8524 558341.2100 1.1022 1.0705 LDB: ============= START OF LOAD BALANCING ============== 6442.65 LDB: ============== END OF LOAD BALANCING =============== 6442.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6442.65 LDB: ============= START OF LOAD BALANCING ============== 6442.95 LDB: Largest compute 4773 load 0.030074 is 25.4% of average load 0.118217 LDB: Average compute 0.001719 is 1.5% of average load 0.118217 LDB: TIME 6442.95 LOAD: AVG 0.118217 MAX 0.199649 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.621 MB LDB: TIME 6442.95 LOAD: AVG 0.118217 MAX 0.199649 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.68 MB LDB: TIME 6442.95 LOAD: AVG 0.118217 MAX 0.199649 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.68 MB LDB: ============== END OF LOAD BALANCING =============== 6442.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6442.95 PRESSURE: 2156400 138.475 149.542 19.1205 149.544 84.6372 -155.558 19.1214 -155.557 -106.725 GPRESSURE: 2156400 156.766 194.233 -91.7 141.506 110.987 -166.357 -14.3752 -118.785 -54.0957 PRESSAVG: 2156400 33.0835 16.6719 40.9892 16.6718 -36.2959 -25.852 40.9891 -25.852 -30.7247 GPRESSAVG: 2156400 33.9048 14.2641 40.9371 18.8221 -36.5284 -27.1542 40.1503 -26.2271 -30.6784 TIMING: 2156400 CPU: 6439.7, 0.00297614/step Wall: 6439.7, 0.00297614/step, 2.35082 hours remaining, 207.085938 MB of memory in use. ENERGY: 2156400 759.4278 2087.2160 1920.6704 108.9165 -206412.2545 18037.9648 0.0000 0.0000 34293.2782 -149204.7809 299.4917 -183498.0591 -149117.8132 299.6791 38.7960 71.2191 557805.4546 -11.3124 -11.1007 PRESSURE: 2156600 68.5281 -87.0911 -198.607 -87.0912 140.488 49.7931 -198.608 49.793 -300.667 GPRESSURE: 2156600 146.202 -74.9625 -116.211 -72.0227 135.562 62.3963 -183.608 81.7937 -279.065 PRESSAVG: 2156600 34.5085 40.7447 -28.013 40.7447 26.411 8.35605 -28.0131 8.35598 -64.2997 GPRESSAVG: 2156600 34.6736 43.4813 -27.5948 36.7905 25.5168 10.2148 -27.2593 6.86128 -63.8512 TIMING: 2156600 CPU: 6440.29, 0.00293818/step Wall: 6440.29, 0.00293818/step, 2.32067 hours remaining, 207.085938 MB of memory in use. ENERGY: 2156600 752.6160 2040.8025 1920.7646 124.1094 -205900.1907 17781.6813 0.0000 0.0000 34101.2904 -149178.9264 297.8151 -183280.2168 -149084.5432 299.2407 -30.5506 0.8996 559118.6067 -1.1267 -1.2202 PRESSURE: 2156800 -117.561 57.0478 -33.5803 57.0476 -16.3704 -30.616 -33.5805 -30.6169 -166.482 GPRESSURE: 2156800 -42.7574 51.978 24.1805 94.3351 10.2021 106.784 -67.2361 -142.402 -177.457 PRESSAVG: 2156800 -27.7871 44.0791 -27.1137 44.0791 59.615 0.7964 -27.1136 0.796373 -37.1368 GPRESSAVG: 2156800 -27.5743 44.2619 -26.3105 46.0576 59.2041 1.88698 -29.2225 1.48708 -37.0103 TIMING: 2156800 CPU: 6440.88, 0.00293102/step Wall: 6440.88, 0.00293102/step, 2.31486 hours remaining, 207.085938 MB of memory in use. ENERGY: 2156800 784.1953 2061.8081 1927.9719 106.6460 -205951.0851 17895.6337 0.0000 0.0000 34152.9781 -149021.8520 298.2665 -183174.8301 -148927.7579 299.1107 -100.1375 -70.0041 559278.4768 -1.7696 -1.7935 PRESSURE: 2157000 -216.418 9.93039 26.0822 9.93257 276.702 205.574 26.0818 205.574 56.718 GPRESSURE: 2157000 -183.454 8.76104 -20.9485 5.68645 245.747 297.236 58.7269 157.682 137.029 PRESSAVG: 2157000 -67.7313 8.21989 -17.1585 8.22 5.72864 34.3701 -17.1585 34.37 -6.86946 GPRESSAVG: 2157000 -68.3839 7.78793 -19.8358 7.99754 6.19831 34.2483 -15.6546 34.1738 -6.50185 TIMING: 2157000 CPU: 6441.47, 0.00294381/step Wall: 6441.47, 0.00294381/step, 2.32479 hours remaining, 207.085938 MB of memory in use. ENERGY: 2157000 747.7649 2021.1719 1924.5294 114.7615 -205915.0295 17802.6675 0.0000 0.0000 34239.3813 -149064.7530 299.0210 -183304.1342 -148968.0947 299.7738 39.0007 66.4409 557965.0759 -22.9574 -22.8958 PRESSURE: 2157200 -54.9763 74.4123 -155.766 74.412 -124.156 65.4507 -155.768 65.4538 -14.6866 GPRESSURE: 2157200 -23.0296 33.7613 -112.339 91.3079 -20.3756 74.3012 -215.251 22.9649 -44.3909 PRESSAVG: 2157200 2.78176 -4.00071 -1.97966 -4.0008 -24.0191 64.5838 -1.97969 64.5837 32.1589 GPRESSAVG: 2157200 3.07377 -5.18113 -2.37376 -2.91356 -23.0456 63.3578 -0.849454 66.6586 31.0909 TIMING: 2157200 CPU: 6442.05, 0.00293397/step Wall: 6442.05, 0.00293397/step, 2.31686 hours remaining, 207.085938 MB of memory in use. ENERGY: 2157200 735.9465 2058.4819 1912.1079 110.6020 -206084.5844 17779.1152 0.0000 0.0000 34298.5928 -149189.7381 299.5381 -183488.3310 -149097.3240 298.9359 -64.6062 -29.2654 558844.8308 3.6405 3.7064 PRESSURE: 2157400 163.136 99.8533 -55.7214 99.8524 326.146 -159.433 -55.7207 -159.431 257.673 GPRESSURE: 2157400 194.646 141.699 -63.816 142.695 374.591 -161.343 -55.1053 -198.913 268.1 PRESSAVG: 2157400 -13.6305 65.601 -5.77072 65.6009 47.5792 -41.4232 -5.77071 -41.4231 -17.7378 GPRESSAVG: 2157400 -14.6728 65.9089 -3.7732 64.2577 47.3924 -41.7874 -7.22658 -41.7196 -17.1601 TIMING: 2157400 CPU: 6442.64, 0.00293762/step Wall: 6442.64, 0.00293762/step, 2.31958 hours remaining, 207.085938 MB of memory in use. ENERGY: 2157400 752.8774 2103.8875 1911.0624 106.0575 -206862.8309 18411.5437 0.0000 0.0000 34431.4160 -149145.9865 300.6981 -183577.4024 -149059.8323 299.3794 248.9853 279.1125 556872.5945 5.4036 5.1865 PRESSURE: 2157600 -0.749 122.867 78.3381 122.867 80.7812 -81.3027 78.3392 -81.3045 -65.5284 GPRESSURE: 2157600 -11.8386 239.523 107.55 -34.6069 156.211 -69.3657 55.6975 -51.0331 -39.732 PRESSAVG: 2157600 -8.88776 -0.912861 36.3024 -0.912868 87.9885 -17.6714 36.3024 -17.6715 -53.9795 GPRESSAVG: 2157600 -8.32807 1.83221 39.5026 0.300659 89.2334 -15.2201 34.3167 -18.309 -55.7177 TIMING: 2157600 CPU: 6443.23, 0.0029199/step Wall: 6443.23, 0.0029199/step, 2.30542 hours remaining, 207.085938 MB of memory in use. ENERGY: 2157600 734.6315 2100.6584 1925.6233 114.2973 -206129.6338 17963.6127 0.0000 0.0000 34133.8267 -149156.9838 298.0992 -183290.8105 -149064.2741 299.2172 4.8346 34.8802 559118.5347 8.3738 8.3959 PRESSURE: 2157800 -255.712 -73.1024 -88.0563 -73.1032 52.6156 61.3513 -88.0564 61.3511 -111.777 GPRESSURE: 2157800 -189.578 -63.03 -75.2318 -111.682 1.07484 69.91 -76.0011 84.8135 -26.3257 PRESSAVG: 2157800 -16.9865 26.0465 -17.4101 26.0465 40.1164 -10.1301 -17.4101 -10.1299 -47.8667 GPRESSAVG: 2157800 -16.0803 24.5401 -21.7093 26.0832 38.5559 -13.9416 -14.9775 -11.4378 -47.421 TIMING: 2157800 CPU: 6443.82, 0.00295233/step Wall: 6443.82, 0.00295233/step, 2.33087 hours remaining, 207.085938 MB of memory in use. ENERGY: 2157800 753.0095 2109.9493 1926.7816 112.8638 -206031.0727 17658.7384 0.0000 0.0000 34221.9189 -149247.8112 298.8685 -183469.7301 -149145.7969 298.3816 -104.9578 -71.6095 557738.4571 -8.2456 -8.3151 PRESSURE: 2158000 -129.136 170.727 98.7536 170.727 -11.4455 44.8517 98.7543 44.8524 -137.352 GPRESSURE: 2158000 -110.098 112.535 99.8818 98.8016 68.1329 -43.7934 86.7631 24.8565 -142.633 PRESSAVG: 2158000 -55.3069 17.2563 79.3189 17.2563 31.3089 -20.9881 79.319 -20.9881 13.1195 GPRESSAVG: 2158000 -54.6324 17.4585 81.0621 15.2961 29.8731 -19.024 78.282 -19.5797 13.8012 TIMING: 2158000 CPU: 6444.41, 0.00295407/step Wall: 6444.41, 0.00295407/step, 2.33207 hours remaining, 207.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2158000 731.7748 2083.4101 1929.7646 101.8591 -205879.7026 17677.8740 0.0000 0.0000 34298.5424 -149056.4776 299.5377 -183355.0200 -148958.7615 299.4064 -92.6445 -61.5325 557668.0003 -3.6262 -3.6527 PRESSURE: 2158200 -75.6446 -31.1517 53.9453 -31.1517 -136.098 -124.931 53.9455 -124.932 2.66933 GPRESSURE: 2158200 -58.2313 10.0937 -12.0638 -33.7105 -76.3006 -132.444 69.7488 -186.109 24.4748 PRESSAVG: 2158200 -13.3595 -1.36944 29.945 -1.36939 3.38465 12.08 29.945 12.08 28.1749 GPRESSAVG: 2158200 -14.4097 0.0843632 28.7794 0.872467 4.30288 11.0963 30.1518 11.992 29.1378 TIMING: 2158200 CPU: 6445, 0.0029708/step Wall: 6445, 0.0029708/step, 2.34511 hours remaining, 207.085938 MB of memory in use. ENERGY: 2158200 751.8657 2120.8610 1898.9668 111.7946 -206183.4720 17759.6003 0.0000 0.0000 34380.3374 -149160.0463 300.2520 -183540.3837 -149066.2441 299.7511 -69.6910 -36.6857 558405.3551 6.0667 6.3437 PRESSURE: 2158400 64.9154 108.735 184.519 108.735 -49.6181 -84.6731 184.519 -84.6734 -279.153 GPRESSURE: 2158400 77.0115 7.00838 194.183 83.1401 41.3258 -60.1924 159.835 -92.1561 -264.589 PRESSAVG: 2158400 6.07867 -5.93838 34.9426 -5.93838 20.3156 9.65439 34.9427 9.65422 10.062 GPRESSAVG: 2158400 6.15729 -7.7555 36.936 -5.68273 20.6042 10.9736 35.3486 8.25935 9.58918 TIMING: 2158400 CPU: 6445.59, 0.00296902/step Wall: 6445.59, 0.00296902/step, 2.34355 hours remaining, 207.085938 MB of memory in use. ENERGY: 2158400 807.1044 2099.4569 1885.5953 107.7481 -206144.8747 18006.3401 0.0000 0.0000 34125.2755 -149113.3543 298.0245 -183238.6298 -149017.6558 299.4226 -87.9519 -48.7506 558364.6529 12.1521 12.1169 PRESSURE: 2158600 -15.7501 -109.205 -20.9707 -109.206 21.9216 82.4688 -20.9705 82.4683 -123.28 GPRESSURE: 2158600 8.45635 -162.524 -137.387 -126.49 50.292 109.304 64.5647 8.04775 -82.7252 PRESSAVG: 2158600 31.5759 4.80338 33.4987 4.80334 -22.0426 8.3483 33.4987 8.34821 -6.37612 GPRESSAVG: 2158600 31.5044 4.68408 31.0289 3.81832 -20.427 7.491 34.0587 9.32456 -8.2607 TIMING: 2158600 CPU: 6446.19, 0.00298727/step Wall: 6446.19, 0.00298727/step, 2.35779 hours remaining, 207.085938 MB of memory in use. ENERGY: 2158600 767.2628 2106.2900 1930.5395 117.5223 -206123.5536 17890.5317 0.0000 0.0000 34372.7768 -148938.6304 300.1860 -183311.4072 -148834.4443 298.8103 -39.0361 -7.9923 557739.1752 1.0524 0.9389 PRESSURE: 2158800 34.5127 -58.3294 -101.235 -58.3282 83.7159 29.5057 -101.234 29.5052 -61.8386 GPRESSURE: 2158800 123.836 -97.6985 -91.5778 -57.954 128.855 -24.1594 -127.074 105.579 -105.377 PRESSAVG: 2158800 46.4022 -31.5722 16.792 -31.5721 34.9845 3.76073 16.792 3.7607 -21.5528 GPRESSAVG: 2158800 47.0709 -32.4702 18.9107 -29.3457 32.1507 3.76771 17.152 7.17504 -19.4235 TIMING: 2158800 CPU: 6446.79, 0.00298606/step Wall: 6446.79, 0.00298605/step, 2.35666 hours remaining, 207.085938 MB of memory in use. ENERGY: 2158800 756.5285 2089.9043 1937.3591 123.7025 -206018.2464 17924.2962 0.0000 0.0000 34470.7596 -148715.6962 301.0417 -183186.4558 -148616.3955 300.5957 18.7967 49.1048 558991.1330 19.9446 19.9327 PRESSURE: 2159000 -109.87 -138.075 220.935 -138.076 -305.248 -121.309 220.936 -121.309 135.394 GPRESSURE: 2159000 -30.9895 -125.057 174.641 -53.8976 -239.03 -151.172 175.31 -164.572 107.527 PRESSAVG: 2159000 -20.6155 -75.1457 33.7999 -75.1458 41.1365 -38.5643 33.8 -38.5643 -30.4266 GPRESSAVG: 2159000 -21.7793 -74.3971 33.654 -76.4094 42.4292 -38.3481 34.1671 -41.8973 -30.5991 TIMING: 2159000 CPU: 6447.39, 0.00298716/step Wall: 6447.39, 0.00298716/step, 2.35737 hours remaining, 207.085938 MB of memory in use. ENERGY: 2159000 761.9481 2144.2959 1943.0465 119.6759 -205806.9719 17727.2577 0.0000 0.0000 34294.9692 -148815.7786 299.5065 -183110.7479 -148720.6612 300.4188 -93.2414 -54.1639 560175.0790 -3.3018 -3.3164 PRESSURE: 2159200 -147.987 -111.556 64.7373 -111.556 -55.4927 99.5229 64.7369 99.5239 -390.975 GPRESSURE: 2159200 -105.683 -151.391 76.5871 -84.6101 -19.3972 -20.6909 75.2582 103.45 -363.454 PRESSAVG: 2159200 78.0768 -16.739 6.53839 -16.739 19.9788 24.219 6.5385 24.219 -78.4135 GPRESSAVG: 2159200 79.0361 -16.2192 5.06939 -17.5139 20.5358 24.5247 6.89945 26.7005 -79.5767 TIMING: 2159200 CPU: 6447.99, 0.00299006/step Wall: 6447.99, 0.00299006/step, 2.35949 hours remaining, 207.085938 MB of memory in use. ENERGY: 2159200 762.4822 2120.8515 1949.1133 109.6760 -205888.2962 17537.6163 0.0000 0.0000 34481.0161 -148927.5408 301.1313 -183408.5569 -148831.5447 300.2655 -198.1517 -162.8450 558367.2943 6.5474 6.6651 PRESSURE: 2159400 -142.318 -87.1205 17.6234 -87.1184 -305.28 15.3781 17.6225 15.3765 -93.442 GPRESSURE: 2159400 -133.93 -59.2158 -69.3086 -67.1418 -289.118 0.304444 150.369 23.0506 -25.2396 PRESSAVG: 2159400 29.1401 -69.3101 -6.75197 -69.31 -8.81695 7.47824 -6.75203 7.47806 -24.519 GPRESSAVG: 2159400 28.828 -69.3295 -5.24951 -69.0846 -9.79736 8.26605 -8.76805 4.06905 -23.3095 TIMING: 2159400 CPU: 6448.58, 0.00299374/step Wall: 6448.58, 0.00299374/step, 2.36223 hours remaining, 207.085938 MB of memory in use. ENERGY: 2159400 739.1501 2131.8981 1911.0377 115.4382 -205715.8258 17413.2523 0.0000 0.0000 34336.4800 -149068.5695 299.8690 -183405.0494 -148966.4182 300.3174 -180.3465 -149.4289 558783.9378 -1.3986 -1.4263 PRESSURE: 2159600 -275.714 -77.2939 29.276 -77.2944 -224.469 80.0433 29.2764 80.0442 -53.3839 GPRESSURE: 2159600 -276.594 9.74656 24.0313 -122.862 -185.587 55.307 71.0756 41.0706 -19.5713 PRESSAVG: 2159600 50.3125 -17.9589 25.3377 -17.9589 -27.1002 -2.63646 25.3379 -2.63638 -37.2703 GPRESSAVG: 2159600 49.7183 -16.6037 24.7067 -18.5005 -24.9275 -4.79458 28.9189 -2.41874 -38.4607 TIMING: 2159600 CPU: 6449.18, 0.00298436/step Wall: 6449.18, 0.00298436/step, 2.35466 hours remaining, 207.085938 MB of memory in use. ENERGY: 2159600 790.3498 2077.3082 1933.8339 109.2881 -205761.4638 17614.9462 0.0000 0.0000 34223.5109 -149012.2267 298.8824 -183235.7376 -148920.6107 299.9237 -184.5223 -160.5838 559746.5129 -4.6860 -4.5566 PRESSURE: 2159800 30.8616 -184.088 -99.1583 -184.088 -193.413 -37.4369 -99.1579 -37.4373 -100.745 GPRESSURE: 2159800 75.0768 -247.251 -9.56781 -157.803 -177.922 -53.5309 -60.9406 32.2179 -59.8703 PRESSAVG: 2159800 -47.3084 -2.64223 39.1778 -2.64232 11.6784 -0.523291 39.1777 -0.523301 49.3579 GPRESSAVG: 2159800 -47.4704 -5.76187 38.097 -2.49327 10.8003 1.61986 35.9063 -0.0676563 50.4494 TIMING: 2159800 CPU: 6449.78, 0.0029864/step Wall: 6449.78, 0.0029864/step, 2.3561 hours remaining, 207.085938 MB of memory in use. ENERGY: 2159800 748.2922 2114.4558 1927.8816 119.6676 -206118.5185 17699.1537 0.0000 0.0000 34402.4623 -149106.6052 300.4453 -183509.0676 -149013.4222 300.3172 -87.7654 -54.2384 558366.2131 4.5760 4.5931 PRESSURE: 2160000 -175.76 210.808 -24.0599 210.808 -337.35 -41.9902 -24.0599 -41.9923 180.92 GPRESSURE: 2160000 -171.716 217.27 -86.3565 243.705 -274.036 -39.574 -11.4938 -75.1636 202.352 PRESSAVG: 2160000 -4.3035 32.7707 -14.9584 32.7707 -47.2708 -4.79766 -14.9584 -4.79776 73.7909 GPRESSAVG: 2160000 -3.54848 34.1427 -14.4638 33.5991 -47.6593 -4.6832 -12.4179 -5.66966 73.4947 TIMING: 2160000 CPU: 6450.37, 0.00295183/step Wall: 6450.37, 0.00295183/step, 2.32867 hours remaining, 207.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2160000 768.7102 2104.3265 1918.6073 103.8469 -206013.2636 17569.1339 0.0000 0.0000 34559.0761 -148989.5626 301.8130 -183548.6387 -148893.1227 300.0480 -110.7297 -81.1335 557392.0428 7.4056 7.4290 PRESSURE: 2160200 -9.00756 -152.411 87.0161 -152.411 -112.364 -51.8381 87.0147 -51.8371 138.987 GPRESSURE: 2160200 32.9421 -126.904 50.0765 -203.606 -94.781 13.8133 86.6664 -113.945 170.586 PRESSAVG: 2160200 -63.0706 -6.93451 -24.0528 -6.93453 19.0274 -3.1785 -24.0528 -3.17849 0.0773026 GPRESSAVG: 2160200 -63.6352 -6.74675 -23.3244 -7.53457 18.4898 -4.69428 -25.0817 -2.55758 1.25358 TIMING: 2160200 CPU: 6450.96, 0.00296202/step Wall: 6450.96, 0.00296202/step, 2.33654 hours remaining, 207.085938 MB of memory in use. ENERGY: 2160200 774.8291 2116.5753 1893.2322 103.1886 -206302.5245 17885.5764 0.0000 0.0000 34318.7951 -149210.3277 299.7146 -183529.1228 -149116.7282 300.2725 5.8716 36.2489 557418.4682 -14.6553 -14.6306 LDB: ============= START OF LOAD BALANCING ============== 6454.51 LDB: ============== END OF LOAD BALANCING =============== 6454.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6454.51 LDB: ============= START OF LOAD BALANCING ============== 6454.81 LDB: Largest compute 4773 load 0.030217 is 25.6% of average load 0.118130 LDB: Average compute 0.001734 is 1.5% of average load 0.118130 LDB: TIME 6454.81 LOAD: AVG 0.11813 MAX 0.203942 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.625 MB LDB: TIME 6454.81 LOAD: AVG 0.11813 MAX 0.203942 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.625 MB LDB: TIME 6454.81 LOAD: AVG 0.11813 MAX 0.203942 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.625 MB LDB: ============== END OF LOAD BALANCING =============== 6454.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6454.82 PRESSURE: 2160400 -106.487 -277.187 -263.813 -277.186 162.256 -100.526 -263.813 -100.525 104.257 GPRESSURE: 2160400 -133.922 -201.189 -238.695 -269.464 240.31 -87.1044 -260.323 -117.882 146.502 PRESSAVG: 2160400 -0.409714 -26.7023 17.894 -26.7023 -6.22088 -20.7035 17.8939 -20.7034 27.0982 GPRESSAVG: 2160400 -0.5039 -25.9918 16.5964 -26.4355 -4.7601 -20.3715 18.63 -21.8119 25.6189 TIMING: 2160400 CPU: 6451.57, 0.00304873/step Wall: 6451.57, 0.00304873/step, 2.40477 hours remaining, 206.375000 MB of memory in use. ENERGY: 2160400 754.3800 2047.2234 1933.1484 103.7003 -206049.6296 17730.9304 0.0000 0.0000 34339.1788 -149141.0683 299.8926 -183480.2471 -149044.7625 299.9417 53.3422 84.2968 556857.8983 6.8225 6.7850 PRESSURE: 2160600 292.777 41.7751 262.058 41.7739 -145.734 0.141839 262.058 0.143318 95.4468 GPRESSURE: 2160600 333.409 7.56079 233.014 160.914 -37.119 -23.1237 288.434 -25.4652 43.1575 PRESSAVG: 2160600 -32.9501 21.3851 -6.97071 21.3851 30.7635 -25.2287 -6.97071 -25.2286 -43.0971 GPRESSAVG: 2160600 -32.1264 21.3926 -5.14625 23.3581 29.6754 -24.1873 -8.49699 -23.6459 -42.9605 TIMING: 2160600 CPU: 6452.16, 0.00297203/step Wall: 6452.16, 0.00297203/step, 2.3441 hours remaining, 206.375000 MB of memory in use. ENERGY: 2160600 699.1046 2119.1114 1926.1703 119.1309 -206603.5288 18191.9051 0.0000 0.0000 34362.0158 -149186.0906 300.0920 -183548.1064 -149086.7825 298.9978 80.8302 113.1493 557652.4444 -15.0945 -15.1372 PRESSURE: 2160800 193.908 145.257 -21.3856 145.255 141.278 -2.47316 -21.384 -2.47332 155.133 GPRESSURE: 2160800 259.704 65.4906 120.139 160.403 156.199 -67.7869 -62.7547 -73.435 166.617 PRESSAVG: 2160800 40.2805 19.1222 53.6482 19.1222 -29.6755 3.55381 53.6481 3.55376 9.4289 GPRESSAVG: 2160800 39.0242 17.4342 54.8086 16.4321 -29.3583 2.76321 54.5099 2.9432 10.1026 TIMING: 2160800 CPU: 6452.75, 0.00293654/step Wall: 6452.75, 0.00293654/step, 2.31595 hours remaining, 206.375000 MB of memory in use. ENERGY: 2160800 731.1607 2093.9524 1917.8858 114.6051 -206144.8683 17962.8890 0.0000 0.0000 34044.1870 -149280.1883 297.3164 -183324.3753 -149188.6999 298.9409 163.4396 194.1731 556620.0407 6.6780 6.5895 PRESSURE: 2161000 142.443 73.5405 -16.7954 73.5409 60.3694 47.9728 -16.7969 47.973 11.9264 GPRESSURE: 2161000 210.739 112.747 33.3392 41.3178 95.9512 -56.2926 0.510611 61.8684 -1.78045 PRESSAVG: 2161000 41.2154 -23.2508 -0.487733 -23.2507 36.5044 -23.1391 -0.487713 -23.139 -3.85346 GPRESSAVG: 2161000 42.4035 -21.0866 -1.74038 -25.7428 35.5482 -25.0237 -0.893459 -22.1246 -4.40211 TIMING: 2161000 CPU: 6453.35, 0.00296561/step Wall: 6453.35, 0.00296561/step, 2.33872 hours remaining, 206.375000 MB of memory in use. ENERGY: 2161000 746.0734 2039.0021 1915.1040 131.0026 -205856.2260 17701.5439 0.0000 0.0000 34217.9817 -149105.5184 298.8341 -183323.5000 -149005.9946 299.3735 71.5797 101.6367 556123.8633 24.6221 24.5165 PRESSURE: 2161200 66.7742 30.1716 58.4242 30.1706 -163.426 64.9108 58.4241 64.9122 -144.677 GPRESSURE: 2161200 63.6056 72.5058 8.91784 129.227 -58.4388 -13.6891 61.9266 86.2966 -150.235 PRESSAVG: 2161200 37.8993 32.6196 -22.2829 32.6196 23.8776 -68.4652 -22.2828 -68.4652 -70.7438 GPRESSAVG: 2161200 36.2316 32.1235 -21.1969 35.4673 23.694 -66.9647 -23.7858 -70.3295 -69.4066 TIMING: 2161200 CPU: 6453.94, 0.00296725/step Wall: 6453.94, 0.00296725/step, 2.33984 hours remaining, 206.375000 MB of memory in use. ENERGY: 2161200 715.4864 2034.2409 1949.0594 119.3961 -205809.4117 17773.1901 0.0000 0.0000 34313.0601 -148904.9788 299.6645 -183218.0389 -148810.9157 299.1969 -80.4428 -48.3560 558938.2575 -2.9890 -3.1603 PRESSURE: 2161400 251.308 -50.3645 41.2292 -50.3649 -1.448 31.8277 41.2294 31.8287 12.1153 GPRESSURE: 2161400 236.034 -23.3718 -26.6201 -106.811 -4.75949 44.4452 84.303 60.3362 121.409 PRESSAVG: 2161400 32.5826 61.7074 -15.8257 61.7074 2.42242 -18.9961 -15.8257 -18.9959 -46.9712 GPRESSAVG: 2161400 33.6049 59.698 -16.4353 62.6376 2.61224 -17.5468 -14.6621 -19.6192 -47.8083 TIMING: 2161400 CPU: 6454.53, 0.00295374/step Wall: 6454.53, 0.00295374/step, 2.32903 hours remaining, 206.375000 MB of memory in use. ENERGY: 2161400 744.9647 2029.7634 1914.0481 107.1858 -206054.8068 17971.9347 0.0000 0.0000 34323.2754 -148963.6347 299.7537 -183286.9101 -148867.0893 299.5892 87.3252 117.5612 558969.5149 -3.9887 -3.8637 PRESSURE: 2161600 -42.658 26.8058 162.92 26.8057 -191.987 10.8004 162.921 10.7999 -103.043 GPRESSURE: 2161600 -66.4463 -56.9639 124.472 144.06 -122.622 24.8948 119.92 46.2693 -47.6964 PRESSAVG: 2161600 10.913 -31.2435 -45.9774 -31.2435 53.0732 -75.5651 -45.9774 -75.5651 -49.1229 GPRESSAVG: 2161600 11.1148 -30.0516 -46.7017 -31.3167 53.7484 -75.9943 -44.3629 -74.3502 -50.109 TIMING: 2161600 CPU: 6455.12, 0.00296932/step Wall: 6455.12, 0.00296932/step, 2.34115 hours remaining, 206.375000 MB of memory in use. ENERGY: 2161600 771.3010 2072.5747 1927.4982 112.8313 -205666.6210 17539.3651 0.0000 0.0000 34298.4548 -148944.5959 299.5369 -183243.0507 -148846.0506 299.7424 -112.5629 -78.9217 557885.3304 4.9544 4.9181 PRESSURE: 2161800 135.703 -73.3668 201.025 -73.3668 -66.8595 138.786 201.025 138.785 134.441 GPRESSURE: 2161800 159.211 -37.1287 228.889 -63.7916 -13.4434 122.774 192.513 49.8943 139.466 PRESSAVG: 2161800 -0.500685 -40.6483 3.13294 -40.6481 7.2256 -33.9712 3.13291 -33.9712 34.0168 GPRESSAVG: 2161800 -0.561342 -40.0303 3.72993 -41.9703 6.64813 -34.1079 1.26796 -35.7351 34.7246 TIMING: 2161800 CPU: 6455.72, 0.00297077/step Wall: 6455.72, 0.00297077/step, 2.34212 hours remaining, 206.375000 MB of memory in use. ENERGY: 2161800 716.8552 2010.9043 1949.9988 110.7017 -206006.4918 17792.3728 0.0000 0.0000 34516.9633 -148908.6957 301.4452 -183425.6590 -148810.3205 299.8509 67.7615 95.0778 558345.0399 13.5806 13.6038 PRESSURE: 2162000 128.731 51.8399 -84.2006 51.8404 23.9132 -110.949 -84.2007 -110.949 19.5292 GPRESSURE: 2162000 194.645 26.749 -95.0397 -52.6269 85.0525 -104.305 -58.8608 -129.075 -5.62689 PRESSAVG: 2162000 -31.8706 4.99108 -61.3324 4.9911 60.6558 -80.3909 -61.3324 -80.3907 11.3378 GPRESSAVG: 2162000 -32.0288 2.7107 -62.5199 8.78583 61.067 -80.7466 -60.2073 -78.8918 10.7903 TIMING: 2162000 CPU: 6456.31, 0.00296916/step Wall: 6456.31, 0.00296916/step, 2.34069 hours remaining, 206.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2162000 779.0796 2058.8316 1934.5863 105.4452 -206058.2144 17934.1066 0.0000 0.0000 34379.9244 -148866.2407 300.2484 -183246.1651 -148772.2721 299.6984 57.3910 91.3568 557089.7316 13.3743 13.2762 PRESSURE: 2162200 -99.7989 -167.199 -136.205 -167.199 150.518 -185.3 -136.205 -185.299 248.371 GPRESSURE: 2162200 -22.2388 -139.485 -229.908 -150.55 197.847 -92.8034 -150.778 -154.914 233.552 PRESSAVG: 2162200 -3.64643 -47.1118 -33.3599 -47.1119 -39.9689 -35.4493 -33.36 -35.4494 45.3585 GPRESSAVG: 2162200 -4.16929 -46.2628 -31.9845 -50.8546 -39.6886 -37.3183 -35.0866 -32.595 45.5906 TIMING: 2162200 CPU: 6456.9, 0.00294495/step Wall: 6456.9, 0.00294495/step, 2.32144 hours remaining, 206.375000 MB of memory in use. ENERGY: 2162200 728.8024 2042.7204 1980.2940 109.9470 -206010.5908 17828.9736 0.0000 0.0000 34613.9443 -148705.9092 302.2922 -183319.8535 -148612.3545 300.8461 99.6967 136.3868 557266.9138 0.5811 0.5776 PRESSURE: 2162400 174.871 48.6869 101.327 48.6861 -210.215 50.6783 101.327 50.6789 -73.0023 GPRESSURE: 2162400 229.032 39.0262 180.984 20.5646 -189.498 23.1134 50.8924 90.0661 -45.6689 PRESSAVG: 2162400 -16.9854 -32.2061 -16.7092 -32.2062 -19.1867 -63.9066 -16.7092 -63.9067 94.624 GPRESSAVG: 2162400 -17.802 -33.6493 -18.2324 -30.8024 -18.8553 -64.4578 -15.8635 -66.0752 94.5122 TIMING: 2162400 CPU: 6457.49, 0.00296024/step Wall: 6457.49, 0.00296024/step, 2.33332 hours remaining, 206.375000 MB of memory in use. ENERGY: 2162400 705.9357 2055.7283 1912.7302 105.7119 -205362.7674 17493.9704 0.0000 0.0000 34249.5253 -148839.1656 299.1096 -183088.6909 -148751.9026 300.6754 -36.1155 -2.0452 557656.3172 19.4840 19.2850 PRESSURE: 2162600 136.049 -41.8029 32.0302 -41.8023 -98.5584 101.586 32.0288 101.588 -60.5743 GPRESSURE: 2162600 136.991 -107.597 25.2665 32.2391 -90.0431 119.042 -23.7963 142.893 24.2009 PRESSAVG: 2162600 53.7184 35.377 50.2886 35.3771 -66.9556 8.98371 50.2886 8.98376 -48.7809 GPRESSAVG: 2162600 55.0349 36.0775 50.2856 37.2081 -67.4869 11.4328 50.724 7.61853 -49.6061 TIMING: 2162600 CPU: 6458.09, 0.00296876/step Wall: 6458.09, 0.00296876/step, 2.33988 hours remaining, 206.375000 MB of memory in use. ENERGY: 2162600 741.4541 2046.4026 1946.8093 109.4441 -205725.1748 17577.4967 0.0000 0.0000 34477.9787 -148825.5893 301.1048 -183303.5680 -148721.9989 300.8706 -7.6945 23.7164 556221.1899 -20.6727 -20.6860 PRESSURE: 2162800 -55.2064 0.66566 -31.5638 0.665408 -138.405 -43.5931 -31.5651 -43.5943 -44.9883 GPRESSURE: 2162800 28.696 34.6803 -30.4715 2.001 -73.7755 -66.0901 -48.1816 -102.151 -79.3076 PRESSAVG: 2162800 39.2466 0.654735 31.6298 0.654819 -4.93784 -3.43997 31.6298 -3.43994 26.6891 GPRESSAVG: 2162800 39.2952 1.81785 32.072 -3.49063 -5.43346 -3.18104 33.2478 -2.64455 27.4639 TIMING: 2162800 CPU: 6458.68, 0.002956/step Wall: 6458.68, 0.002956/step, 2.32965 hours remaining, 206.375000 MB of memory in use. ENERGY: 2162800 726.9895 2088.3691 1933.0059 108.6313 -205697.8635 17649.9230 0.0000 0.0000 34440.3186 -148750.6262 300.7759 -183190.9447 -148653.2385 300.9784 -79.5333 -41.4624 557086.3288 20.3326 20.4419 PRESSURE: 2163000 142.152 -3.49061 -18.241 -3.49189 191.078 58.1123 -18.2419 58.1126 -32.734 GPRESSURE: 2163000 138.272 -1.02739 -84.3546 -6.78792 224.41 128.095 81.3856 -4.09122 36.3543 PRESSAVG: 2163000 38.111 -4.34665 39.8294 -4.34668 -15.9122 2.56968 39.8294 2.56965 -19.8741 GPRESSAVG: 2163000 37.3421 -5.65048 40.496 -4.01552 -15.1067 2.00511 38.7726 1.63224 -20.4176 TIMING: 2163000 CPU: 6459.27, 0.00295848/step Wall: 6459.27, 0.00295848/step, 2.33145 hours remaining, 206.414062 MB of memory in use. ENERGY: 2163000 747.1704 2106.0580 1908.7908 102.5837 -205844.4720 17876.9776 0.0000 0.0000 34335.8115 -148767.0800 299.8632 -183102.8915 -148671.4717 300.6751 100.1653 133.0120 558850.6072 0.7749 0.6059 PRESSURE: 2163200 227.593 40.7604 57.2367 40.7614 -202.991 134.821 57.2365 134.821 -65.6524 GPRESSURE: 2163200 242.783 24.122 155.466 104.063 -174.936 121.243 24.3046 101.77 -12.1802 PRESSAVG: 2163200 75.8942 78.5046 -21.8156 78.5046 -65.1354 60.1431 -21.8156 60.1431 -17.1022 GPRESSAVG: 2163200 76.2812 78.1288 -21.4708 82.2019 -66.2359 60.7433 -22.4586 61.9765 -16.35 TIMING: 2163200 CPU: 6459.86, 0.00295532/step Wall: 6459.86, 0.00295532/step, 2.32879 hours remaining, 206.414062 MB of memory in use. ENERGY: 2163200 741.7274 2099.7659 1900.2504 115.5498 -205970.8401 17717.1555 0.0000 0.0000 34456.8500 -148939.5411 300.9202 -183396.3911 -148839.0486 301.1027 -13.6836 18.5556 558188.1868 -2.1145 -2.1016 PRESSURE: 2163400 -14.2951 66.3058 -181.976 66.3062 -20.5278 42.589 -181.975 42.5891 -89.4555 GPRESSURE: 2163400 -3.92604 17.3024 -149.465 143.761 -8.76714 5.96384 -135.184 162.472 -10.8987 PRESSAVG: 2163400 26.9703 72.0356 -21.763 72.0357 -57.8847 43.0533 -21.763 43.0534 -7.01177 GPRESSAVG: 2163400 26.1554 70.6606 -23.0763 70.1269 -56.59 42.6101 -20.8245 43.3736 -7.34114 TIMING: 2163400 CPU: 6460.45, 0.00294399/step Wall: 6460.45, 0.00294399/step, 2.3197 hours remaining, 206.414062 MB of memory in use. ENERGY: 2163400 753.7030 2118.4346 1937.5242 129.5356 -206112.3655 17774.4840 0.0000 0.0000 34497.2617 -148901.4224 301.2732 -183398.6841 -148808.8821 300.9189 -41.4261 -7.8640 557839.6183 -12.6420 -12.5919 PRESSURE: 2163600 99.2724 -32.4161 37.5819 -32.4157 170.056 -52.5176 37.5826 -52.5181 -69.9854 GPRESSURE: 2163600 79.4218 -69.369 -13.357 -8.10497 219.484 -120.386 61.0234 -47.6982 -1.45443 PRESSAVG: 2163600 9.78563 -34.3684 -73.3696 -34.3683 15.9729 32.908 -73.3696 32.908 -47.8382 GPRESSAVG: 2163600 9.80652 -29.8909 -72.4519 -35.7411 15.5188 32.9449 -72.7655 31.7728 -47.8014 TIMING: 2163600 CPU: 6461.04, 0.00296043/step Wall: 6461.04, 0.00296043/step, 2.33249 hours remaining, 206.414062 MB of memory in use. ENERGY: 2163600 746.6112 2140.4746 1946.8530 116.7657 -206005.7527 17767.2547 0.0000 0.0000 34308.4689 -148979.3245 299.6244 -183287.7934 -148888.4312 300.6662 66.4475 99.1505 556581.4488 -7.3599 -7.4920 PRESSURE: 2163800 36.1985 15.0592 53.5642 15.0607 223.547 10.7933 53.5664 10.7941 98.5782 GPRESSURE: 2163800 67.1259 -2.33 65.9297 30.9334 252.744 -10.0014 81.5096 34.9779 122.527 PRESSAVG: 2163800 79.3097 -41.8078 -19.942 -41.8078 -22.8088 3.74898 -19.9418 3.749 -38.6147 GPRESSAVG: 2163800 79.5632 -44.7248 -19.7631 -38.5284 -22.9719 3.61452 -22.0056 5.57559 -38.7872 TIMING: 2163800 CPU: 6461.63, 0.00296435/step Wall: 6461.63, 0.00296435/step, 2.33541 hours remaining, 206.613281 MB of memory in use. ENERGY: 2163800 743.0117 2068.8796 1936.4455 111.6136 -205833.5328 17743.7675 0.0000 0.0000 34396.6382 -148833.1766 300.3944 -183229.8149 -148736.8985 300.9030 119.4414 147.4654 557722.4130 5.9621 5.9347 PRESSURE: 2164000 23.3168 -163.616 -162.599 -163.615 36.6829 -33.1422 -162.599 -33.1412 -128.379 GPRESSURE: 2164000 28.6642 -82.4007 -206.696 -160.976 138.553 -141.408 -160.461 -124.784 -127.857 PRESSAVG: 2164000 6.97758 -52.6989 -0.110608 -52.6989 -5.89141 42.9031 -0.1107 42.9031 -1.21461 GPRESSAVG: 2164000 5.58413 -51.4245 0.609627 -55.143 -5.34049 42.3099 2.36024 42.1189 -0.582956 TIMING: 2164000 CPU: 6462.23, 0.00297045/step Wall: 6462.23, 0.00297044/step, 2.34005 hours remaining, 206.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2164000 751.6765 2162.6516 1924.8020 99.1029 -206111.1836 17826.9892 0.0000 0.0000 34460.9867 -148884.9746 300.9564 -183345.9613 -148794.3219 300.4498 -22.7930 13.1203 558088.8098 -0.0428 -0.1131 PRESSURE: 2164200 174.296 38.3103 24.584 38.3093 259.626 0.457734 24.584 0.457517 155.136 GPRESSURE: 2164200 177.031 35.8257 41.1389 85.3179 292.974 -1.58842 66.6114 -1.42373 230.429 PRESSAVG: 2164200 -24.9735 15.1983 -57.5078 15.1982 -25.0929 -18.6844 -57.5077 -18.6844 46.5556 GPRESSAVG: 2164200 -24.4187 14.6795 -59.541 14.948 -26.7755 -17.5017 -58.0668 -18.7234 48.4177 TIMING: 2164200 CPU: 6462.82, 0.00296591/step Wall: 6462.82, 0.00296591/step, 2.33632 hours remaining, 206.613281 MB of memory in use. ENERGY: 2164200 773.9227 2097.2041 1931.3643 113.8333 -206244.5081 18051.1440 0.0000 0.0000 34351.2159 -148925.8238 299.9977 -183277.0397 -148832.0884 300.6010 196.3524 233.4777 556440.2011 -1.1703 -0.9255 LDB: ============= START OF LOAD BALANCING ============== 6466.37 LDB: ============== END OF LOAD BALANCING =============== 6466.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6466.37 LDB: ============= START OF LOAD BALANCING ============== 6466.67 LDB: Largest compute 4773 load 0.030812 is 26.1% of average load 0.118172 LDB: Average compute 0.001722 is 1.5% of average load 0.118172 LDB: TIME 6466.67 LOAD: AVG 0.118172 MAX 0.204414 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.637 MB LDB: TIME 6466.67 LOAD: AVG 0.118172 MAX 0.204414 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.637 MB LDB: TIME 6466.67 LOAD: AVG 0.118172 MAX 0.204414 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.637 MB LDB: ============== END OF LOAD BALANCING =============== 6466.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6466.68 PRESSURE: 2164400 -198.259 16.389 -126.106 16.3885 -428.576 -79.9619 -126.107 -79.9605 -20.8052 GPRESSURE: 2164400 -175.682 -21.0003 -60.4804 -22.0886 -376.931 -50.2237 -131.203 17.8854 2.04884 PRESSAVG: 2164400 28.8441 -0.301242 40.9501 -0.301181 -27.131 -17.1302 40.9502 -17.1302 24.7772 GPRESSAVG: 2164400 30.1879 1.64199 42.1006 0.0129643 -26.1967 -16.094 40.4 -15.7006 22.7859 TIMING: 2164400 CPU: 6463.43, 0.00303333/step Wall: 6463.43, 0.00303333/step, 2.38925 hours remaining, 207.281250 MB of memory in use. ENERGY: 2164400 765.9644 2088.5484 1938.5823 110.3248 -205545.0109 17497.1087 0.0000 0.0000 34181.9572 -148962.5252 298.5195 -183144.4823 -148860.9184 300.1560 -215.8802 -183.5215 559348.5085 8.8301 8.9257 PRESSURE: 2164600 -31.7577 133.105 59.9136 133.105 26.7137 -72.8774 59.914 -72.8766 -140.124 GPRESSURE: 2164600 -21.0615 158.065 107.795 121.499 83.9111 -94.5171 77.8735 -72.8015 -107.462 PRESSAVG: 2164600 -10.4548 15.9695 -5.93637 15.9694 22.1204 -2.62479 -5.93642 -2.62472 -13.0595 GPRESSAVG: 2164600 -10.5019 12.3571 -4.90881 17.6301 23.31 -3.86716 -7.27084 -4.59783 -14.052 TIMING: 2164600 CPU: 6464.02, 0.00297484/step Wall: 6464.02, 0.00297484/step, 2.34302 hours remaining, 207.281250 MB of memory in use. ENERGY: 2164600 739.7734 2085.9591 1923.7312 106.4612 -206112.0358 17760.9025 0.0000 0.0000 34426.6817 -149068.5267 300.6568 -183495.2085 -148970.5911 299.8486 -48.3894 -14.8706 557247.4872 -0.4646 -0.4146 PRESSURE: 2164800 -17.0608 -21.4619 141.652 -21.4611 59.8286 63.1465 141.652 63.1467 -17.5943 GPRESSURE: 2164800 77.5799 3.8067 144.551 -24.3706 5.77198 -23.0625 140.082 116.899 34.8821 PRESSAVG: 2164800 -55.3212 -30.5237 -22.3562 -30.5237 30.3796 30.3534 -22.3563 30.3534 9.14427 GPRESSAVG: 2164800 -55.6401 -29.7197 -24.7374 -31.3333 28.9035 30.7812 -21.5475 30.7477 9.9744 TIMING: 2164800 CPU: 6464.61, 0.00294833/step Wall: 6464.61, 0.00294833/step, 2.32198 hours remaining, 207.281250 MB of memory in use. ENERGY: 2164800 736.7717 2076.0607 1923.1062 114.4825 -205970.0498 17703.5722 0.0000 0.0000 34317.6094 -149098.4472 299.7042 -183416.0565 -149004.8158 299.7519 8.3912 39.4113 557684.0849 -5.2658 -5.5874 PRESSURE: 2165000 -183.22 21.7604 -42.7711 21.7603 128.373 156.478 -42.7705 156.478 -255.679 GPRESSURE: 2165000 -148.072 70.7045 -73.8253 126.769 162.653 112.335 2.50713 170.408 -215.136 PRESSAVG: 2165000 -35.0219 -23.532 -39.7776 -23.5319 69.9454 29.3546 -39.7776 29.3545 -55.3012 GPRESSAVG: 2165000 -34.4573 -23.2794 -37.6678 -24.0615 70.2837 29.0685 -39.2936 30.3164 -56.3708 TIMING: 2165000 CPU: 6465.21, 0.00296385/step Wall: 6465.21, 0.00296385/step, 2.33403 hours remaining, 207.281250 MB of memory in use. ENERGY: 2165000 706.1157 2071.9220 1925.3157 103.4005 -205811.3488 17497.9400 0.0000 0.0000 34322.0073 -149184.6476 299.7426 -183506.6549 -149085.3741 300.1926 -103.5090 -66.8515 556667.8493 -6.7926 -6.8481 PRESSURE: 2165200 -201.707 52.4369 -136.663 52.4372 -66.4578 118.234 -136.662 118.235 145.159 GPRESSURE: 2165200 -182.498 47.8999 -84.0603 57.6114 15.105 113.627 -139.85 126.167 152.645 PRESSAVG: 2165200 33.0315 51.8691 -18.6723 51.8691 52.0664 3.3992 -18.6723 3.39918 -34.2526 GPRESSAVG: 2165200 33.1016 52.757 -18.6326 51.4181 50.8763 2.35801 -16.4126 3.12519 -33.5029 TIMING: 2165200 CPU: 6465.8, 0.00296871/step Wall: 6465.8, 0.00296871/step, 2.33769 hours remaining, 207.281250 MB of memory in use. ENERGY: 2165200 762.1429 2062.6348 1914.5853 101.0903 -206194.0383 17864.0348 0.0000 0.0000 34311.1266 -149178.4237 299.6476 -183489.5503 -149088.6167 299.8915 -41.0020 -4.9162 556817.8448 16.9484 16.8250 PRESSURE: 2165400 -33.771 -124.476 -3.03782 -124.475 67.7943 69.8419 -3.03693 69.8417 -118.021 GPRESSURE: 2165400 -33.5551 -75.018 48.3425 -147.405 106.714 108.388 -1.71275 17.4263 -60.8902 PRESSAVG: 2165400 -51.3605 -25.6913 -10.5631 -25.6914 14.1494 23.4511 -10.5631 23.451 -2.24701 GPRESSAVG: 2165400 -53.4719 -25.5653 -11.9363 -25.1314 15.783 26.3084 -13.1614 20.7336 -1.90272 TIMING: 2165400 CPU: 6466.4, 0.00299805/step Wall: 6466.4, 0.00299805/step, 2.36063 hours remaining, 207.281250 MB of memory in use. ENERGY: 2165400 740.2669 2076.4853 1935.7280 116.6733 -206228.2385 17696.7722 0.0000 0.0000 34320.5206 -149341.7921 299.7296 -183662.3127 -149248.1749 299.7182 -27.9993 4.0895 555486.5215 -13.1527 -13.1972 PRESSURE: 2165600 -69.4416 224.999 41.2189 224.999 -82.2382 92.3512 41.2197 92.3496 -101.049 GPRESSURE: 2165600 -59.2892 235.181 98.3597 190.293 -47.2421 91.0684 -21.4789 13.7258 -49.5836 PRESSAVG: 2165600 31.9087 -69.7845 18.036 -69.7843 43.0074 -17.2981 18.036 -17.298 -49.0541 GPRESSAVG: 2165600 33.4439 -69.7451 20.4319 -71.1917 42.2148 -19.5922 17.1433 -15.2809 -49.1486 TIMING: 2165600 CPU: 6466.99, 0.0029809/step Wall: 6466.99, 0.0029809/step, 2.34696 hours remaining, 207.281250 MB of memory in use. ENERGY: 2165600 741.2599 2065.0777 1905.3589 106.3932 -206191.9686 17804.0805 0.0000 0.0000 34254.1145 -149315.6840 299.1497 -183569.7984 -149220.2510 299.3828 -84.2429 -52.0383 557080.1054 8.6207 8.8367 PRESSURE: 2165800 -196.501 39.1038 7.63402 39.1031 -233.938 -42.7649 7.6345 -42.7659 -237.706 GPRESSURE: 2165800 -143.698 40.2729 -2.98066 -12.3516 -154.491 -86.7561 -12.9346 -2.61523 -270.731 PRESSAVG: 2165800 -5.65395 54.2907 15.8746 54.2907 15.8145 -7.83757 15.8746 -7.83757 3.04281 GPRESSAVG: 2165800 -6.31156 53.6795 13.9863 54.6035 16.7597 -6.71612 16.5728 -9.62404 2.71587 TIMING: 2165800 CPU: 6467.59, 0.00295877/step Wall: 6467.59, 0.00295877/step, 2.32937 hours remaining, 207.281250 MB of memory in use. ENERGY: 2165800 754.7079 2051.0900 1914.2447 109.9762 -205885.8825 17511.4811 0.0000 0.0000 34182.0296 -149362.3531 298.5202 -183544.3826 -149271.9156 298.6930 -222.7151 -189.6397 559782.9828 4.4011 4.3880 PRESSURE: 2166000 94.2186 -121.141 -17.1222 -121.142 -102.801 -100.656 -17.123 -100.656 121.036 GPRESSURE: 2166000 151.646 -152.006 -37.3558 -148.306 -66.5796 42.0701 2.29094 -149.347 133.42 PRESSAVG: 2166000 53.4735 -53.5204 -3.10387 -53.5204 -68.884 30.0083 -3.10382 30.0083 35.3359 GPRESSAVG: 2166000 53.7978 -54.6864 -1.85026 -52.9664 -68.3933 28.7893 -3.81122 31.7769 34.2875 TIMING: 2166000 CPU: 6468.18, 0.00298539/step Wall: 6468.18, 0.00298539/step, 2.35017 hours remaining, 207.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2166000 766.0608 2097.7078 1944.9744 103.3284 -206261.4735 17969.2344 0.0000 0.0000 34170.7559 -149209.4117 298.4217 -183380.1677 -149114.3029 298.9268 37.4846 72.8290 557545.5178 6.6418 6.5640 PRESSURE: 2166200 127.095 11.9914 101.894 11.9898 31.4439 106.533 101.894 106.532 -155.594 GPRESSURE: 2166200 143.369 60.8004 58.081 52.7655 84.8506 69.1805 155.97 75.5269 -134.394 PRESSAVG: 2166200 -35.8465 -5.01145 -15.0179 -5.01134 10.698 -10.1664 -15.018 -10.1663 6.30506 GPRESSAVG: 2166200 -35.1171 -3.39244 -14.9665 -5.55913 8.96825 -8.08352 -12.8133 -10.5718 7.14162 TIMING: 2166200 CPU: 6468.78, 0.00297649/step Wall: 6468.78, 0.0029765/step, 2.343 hours remaining, 207.281250 MB of memory in use. ENERGY: 2166200 730.2912 2105.0693 1918.1395 117.4139 -206308.0422 17752.8448 0.0000 0.0000 34343.5416 -149340.7419 299.9307 -183684.2834 -149244.6046 298.9273 0.9818 31.2753 556548.2119 -6.2811 -6.3357 PRESSURE: 2166400 133.335 -152.54 36.0957 -152.54 67.4048 50.2094 36.0972 50.2081 -94.9464 GPRESSURE: 2166400 88.7885 -136.797 -7.77902 -138.376 115.232 106.513 28.2448 59.6157 -7.13302 PRESSAVG: 2166400 49.6195 -130.019 12.7248 -130.019 19.5758 25.3116 12.7248 25.3115 -79.2725 GPRESSAVG: 2166400 48.5237 -130.282 12.1775 -130.228 20.3692 23.3864 12.0602 24.7869 -78.5647 TIMING: 2166400 CPU: 6469.37, 0.00297771/step Wall: 6469.37, 0.00297771/step, 2.34379 hours remaining, 207.281250 MB of memory in use. ENERGY: 2166400 732.7330 2176.1952 1956.5538 121.7229 -206338.0305 17817.0852 0.0000 0.0000 34138.7317 -149395.0087 298.1420 -183533.7404 -149299.4289 298.4297 35.2643 65.6292 557567.4113 -3.3591 -3.2239 PRESSURE: 2166600 -300.041 -63.5017 -198.632 -63.5021 14.3913 60.3294 -198.632 60.3309 -234.193 GPRESSURE: 2166600 -233.094 -121.068 -215.145 26.5845 27.0621 39.8083 -71.9279 54.4276 -195.844 PRESSAVG: 2166600 9.55298 -45.5576 -32.4143 -45.5576 -3.15275 72.5498 -32.4144 72.5497 29.4023 GPRESSAVG: 2166600 9.7901 -45.9726 -31.5771 -45.631 -3.52051 73.2576 -33.5467 73.2654 29.3261 TIMING: 2166600 CPU: 6469.97, 0.00295527/step Wall: 6469.97, 0.00295527/step, 2.32597 hours remaining, 207.281250 MB of memory in use. ENERGY: 2166600 764.8852 2077.2054 1947.3120 112.6056 -206508.0422 17832.1168 0.0000 0.0000 34336.8114 -149437.1057 299.8719 -183773.9171 -149340.1405 298.9418 -173.2811 -133.9586 559139.4242 11.9342 11.8652 PRESSURE: 2166800 -232.298 -78.7795 83.3117 -78.7805 132.416 -67.4523 83.3103 -67.4522 147.369 GPRESSURE: 2166800 -190.188 -134.134 75.5289 -5.0029 180.15 -54.8888 41.7903 -102.187 159.254 PRESSAVG: 2166800 7.25242 -76.5544 -3.69282 -76.5545 -19.9851 -65.9188 -3.69272 -65.9188 -20.379 GPRESSAVG: 2166800 8.07376 -77.6087 -4.77857 -74.9429 -19.1369 -68.5832 -3.83255 -64.7665 -22.0515 TIMING: 2166800 CPU: 6470.56, 0.00297115/step Wall: 6470.56, 0.00297115/step, 2.33829 hours remaining, 207.281250 MB of memory in use. ENERGY: 2166800 740.5740 2158.5805 1902.8877 110.4112 -206532.9978 17877.6647 0.0000 0.0000 34354.7020 -149388.1776 300.0282 -183742.8796 -149296.5483 299.3954 15.8290 49.7385 557696.0514 -11.0372 -11.0382 PRESSURE: 2167000 -130.601 58.4555 -138.056 58.4554 123.456 91.5269 -138.056 91.5274 -267.608 GPRESSURE: 2167000 -65.1185 7.67102 -76.1206 105.053 93.0852 140.802 -114.168 -40.5016 -204.403 PRESSAVG: 2167000 29.7678 3.54045 -4.95724 3.54042 33.5291 53.5367 -4.95742 53.5367 -61.9074 GPRESSAVG: 2167000 28.5099 4.94438 -2.47889 2.58961 33.2267 55.2718 -3.27189 52.6582 -60.9272 TIMING: 2167000 CPU: 6471.16, 0.00298182/step Wall: 6471.16, 0.00298182/step, 2.34653 hours remaining, 207.281250 MB of memory in use. ENERGY: 2167000 743.2207 2060.1984 1938.3431 110.6666 -206089.4102 17773.2764 0.0000 0.0000 34153.7052 -149309.9998 298.2728 -183463.7050 -149210.0746 299.0614 -91.5845 -58.8120 558670.4116 0.4632 0.2698 PRESSURE: 2167200 -22.9219 -89.3119 114.861 -89.3129 -51.0888 -37.1073 114.86 -37.1065 -21.1562 GPRESSURE: 2167200 -23.7167 -70.1439 127.557 -89.1919 15.0379 -79.4111 83.7477 -60.6618 7.98856 PRESSAVG: 2167200 -5.63003 -71.4428 -24.7717 -71.4429 -3.97052 -25.0646 -24.7717 -25.0645 12.2717 GPRESSAVG: 2167200 -5.58893 -72.4995 -27.4065 -72.049 -3.57497 -25.7481 -25.2539 -26.9034 11.8554 TIMING: 2167200 CPU: 6471.75, 0.00298462/step Wall: 6471.75, 0.00298462/step, 2.34856 hours remaining, 207.281250 MB of memory in use. ENERGY: 2167200 707.9320 2081.0684 1922.6784 126.7558 -206055.7953 17612.7580 0.0000 0.0000 34552.1357 -149052.4669 301.7524 -183604.6026 -148958.0636 299.0578 -31.7223 -0.2301 558914.0066 0.8904 0.8972 PRESSURE: 2167400 -287.2 -110.419 -38.8629 -110.419 -197.602 -50.9238 -38.8629 -50.923 -269.239 GPRESSURE: 2167400 -228.179 -128.316 19.3029 -136.142 -170.027 -25.9428 -130.367 11.9824 -251.794 PRESSAVG: 2167400 -48.058 -51.7266 14.2696 -51.7265 -27.536 -11.2043 14.2696 -11.2043 67.7254 GPRESSAVG: 2167400 -48.0379 -50.7912 14.0003 -51.4248 -27.0469 -11.617 14.4343 -9.64248 67.5058 TIMING: 2167400 CPU: 6472.35, 0.00299709/step Wall: 6472.35, 0.00299709/step, 2.35821 hours remaining, 207.281250 MB of memory in use. ENERGY: 2167400 759.1504 2147.4538 1936.6767 108.2837 -206004.1168 17663.3619 0.0000 0.0000 34111.4935 -149277.6967 297.9042 -183389.1903 -149181.7546 299.4642 -251.3470 -216.6666 559453.7519 -2.6229 -2.5263 PRESSURE: 2167600 8.80029 -212.459 208.804 -212.458 -338.112 -202.151 208.804 -202.151 -136.702 GPRESSURE: 2167600 77.9828 -204.919 203.42 -253.503 -247.729 -173.206 280.607 -158.059 -186.145 PRESSAVG: 2167600 -38.5681 -11.2788 -27.7745 -11.2788 -10.0652 -66.7028 -27.7745 -66.7028 63.122 GPRESSAVG: 2167600 -38.8477 -10.4899 -26.2899 -14.6609 -10.4499 -64.7109 -28.1793 -66.6035 63.8122 TIMING: 2167600 CPU: 6472.95, 0.00298135/step Wall: 6472.95, 0.00298135/step, 2.34566 hours remaining, 207.281250 MB of memory in use. ENERGY: 2167600 728.0950 2106.0064 1958.7659 118.0129 -206011.3042 17475.3967 0.0000 0.0000 34156.6631 -149468.3644 298.2986 -183625.0275 -149377.2648 298.5094 -155.3382 -118.6303 558138.8830 4.8296 4.8382 PRESSURE: 2167800 -47.5062 -92.1876 -72.9827 -92.1859 -81.6439 -64.9818 -72.983 -64.9809 -20.7013 GPRESSURE: 2167800 -24.3979 -114.006 -109.932 -37.0201 -34.9019 -33.1015 -134.371 -27.2638 15.6508 PRESSAVG: 2167800 49.2044 -10.4319 27.9686 -10.4318 29.1681 -11.9465 27.9686 -11.9465 -41.0458 GPRESSAVG: 2167800 48.8498 -9.99735 27.7434 -9.41486 29.3918 -13.5405 27.3634 -12.381 -40.8273 TIMING: 2167800 CPU: 6473.55, 0.00301424/step Wall: 6473.55, 0.00301424/step, 2.37137 hours remaining, 207.281250 MB of memory in use. ENERGY: 2167800 747.2940 2044.4488 1949.7667 110.8772 -206183.9945 17693.1967 0.0000 0.0000 34101.9928 -149536.4183 297.8212 -183638.4111 -149437.5490 298.5793 -49.9504 -14.5497 558235.9496 12.4422 12.4714 PRESSURE: 2168000 -26.3327 -107.462 27.7932 -107.462 60.0424 159.467 27.7943 159.466 -123.75 GPRESSURE: 2168000 -22.1423 -179.261 -31.1025 -74.2116 72.1182 180.367 81.4936 113.21 -55.7954 PRESSAVG: 2168000 3.17502 -17.292 47.1599 -17.292 12.1722 7.56496 47.1599 7.5649 -76.5412 GPRESSAVG: 2168000 4.10689 -17.4222 46.2896 -13.9411 10.2969 8.0973 48.3264 6.89672 -75.6853 TIMING: 2168000 CPU: 6474.14, 0.0029474/step Wall: 6474.14, 0.0029474/step, 2.31862 hours remaining, 207.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2168000 742.3336 2093.2361 1929.7031 116.1320 -206215.0898 17722.2461 0.0000 0.0000 34285.9083 -149325.5305 299.4274 -183611.4389 -149229.3468 298.8373 -30.0135 -1.9399 557107.9298 -20.3980 -20.4272 PRESSURE: 2168200 -17.8528 -123.24 46.8119 -123.241 -4.97451 44.5493 46.8118 44.5485 68.0855 GPRESSURE: 2168200 9.01899 -88.2935 77.2995 -103.706 1.83364 33.7518 100.454 9.94707 140.092 PRESSAVG: 2168200 -48.4129 -16.7506 37.195 -16.7506 12.284 35.6142 37.195 35.6141 33.6189 GPRESSAVG: 2168200 -49.3714 -18.6934 38.3537 -19.81 13.7434 34.2564 37.7014 37.1237 33.0135 TIMING: 2168200 CPU: 6474.74, 0.00297177/step Wall: 6474.74, 0.00297177/step, 2.33763 hours remaining, 207.281250 MB of memory in use. ENERGY: 2168200 787.0218 2065.2617 1937.5674 111.4341 -206566.3113 17901.4636 0.0000 0.0000 34425.2247 -149338.3380 300.6440 -183763.5627 -149248.3832 299.7335 15.0861 50.3149 556885.8192 -0.8367 -0.8715 LDB: ============= START OF LOAD BALANCING ============== 6478.28 LDB: ============== END OF LOAD BALANCING =============== 6478.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6478.29 LDB: ============= START OF LOAD BALANCING ============== 6478.58 LDB: Largest compute 4773 load 0.031806 is 26.9% of average load 0.118138 LDB: Average compute 0.001723 is 1.5% of average load 0.118138 LDB: TIME 6478.58 LOAD: AVG 0.118138 MAX 0.201615 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.637 MB LDB: TIME 6478.58 LOAD: AVG 0.118138 MAX 0.201615 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.637 MB LDB: TIME 6478.58 LOAD: AVG 0.118138 MAX 0.201615 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.637 MB LDB: ============== END OF LOAD BALANCING =============== 6478.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6478.59 PRESSURE: 2168400 347.308 5.32523 33.4499 5.32525 -41.2393 159.788 33.4513 159.789 -8.42818 GPRESSURE: 2168400 375.097 -7.76736 60.7454 11.3566 -3.44735 170.634 72.4404 81.214 12.3031 PRESSAVG: 2168400 21.8923 -29.2428 49.8438 -29.2428 -14.7589 7.18516 49.8437 7.18515 -29.6242 GPRESSAVG: 2168400 23.4073 -28.3048 50.3622 -30.3319 -14.9229 8.13767 49.0697 6.99515 -30.618 TIMING: 2168400 CPU: 6475.34, 0.00302237/step Wall: 6475.34, 0.00302237/step, 2.37726 hours remaining, 206.511719 MB of memory in use. ENERGY: 2168400 753.8607 2065.6056 1919.8856 111.5334 -206234.7876 17973.2394 0.0000 0.0000 34186.8245 -149223.8384 298.5620 -183410.6628 -149128.8732 299.5169 99.2135 127.9842 556956.4290 -7.4969 -7.3778 PRESSURE: 2168600 -195.416 31.994 -39.3351 31.9927 -175.222 -11.242 -39.3351 -11.2409 -26.2899 GPRESSURE: 2168600 -190.89 -16.5779 35.62 56.1903 -160.643 -25.0419 -173.113 -1.61432 47.3213 PRESSAVG: 2168600 22.915 9.44393 67.7315 9.44389 -66.453 16.8377 67.7314 16.8378 1.56723 GPRESSAVG: 2168600 21.7948 9.66763 67.182 11.4673 -66.4136 18.6476 66.756 16.1065 2.63975 TIMING: 2168600 CPU: 6475.93, 0.00295982/step Wall: 6475.93, 0.00295982/step, 2.3279 hours remaining, 206.511719 MB of memory in use. ENERGY: 2168600 750.7262 2032.1024 1906.4891 122.9411 -205772.5713 17521.8148 0.0000 0.0000 34213.3482 -149225.1495 298.7937 -183438.4977 -149128.4666 298.8201 -132.3092 -101.4038 557277.0161 -13.9902 -13.9930 PRESSURE: 2168800 100.371 200.249 -111.659 200.248 318.241 -53.438 -111.659 -53.4374 -29.5438 GPRESSURE: 2168800 137.343 202.362 -108.752 214.064 329.944 -139.555 -91.9049 -75.2697 0.755143 PRESSAVG: 2168800 56.274 77.2555 47.8732 77.2555 -67.9124 -36.3755 47.8733 -36.3755 -40.7679 GPRESSAVG: 2168800 55.9243 77.0386 45.2745 77.7922 -67.8248 -37.5441 51.1847 -34.8934 -40.7333 TIMING: 2168800 CPU: 6476.53, 0.00297509/step Wall: 6476.53, 0.00297509/step, 2.33974 hours remaining, 206.511719 MB of memory in use. ENERGY: 2168800 728.1822 2104.9383 1941.1496 128.0345 -206411.4084 18031.5497 0.0000 0.0000 34246.8947 -149230.6595 299.0866 -183477.5542 -149140.3863 299.2525 129.6894 156.0143 557052.4156 -17.4688 -17.5446 PRESSURE: 2169000 123.403 73.3597 142.967 73.3586 -6.99734 28.9125 142.968 28.9118 -378.687 GPRESSURE: 2169000 135.164 32.1875 146.199 101.884 15.172 39.667 132.328 -4.24179 -320.341 PRESSAVG: 2169000 116.493 -9.9662 44.0154 -9.96621 -37.7076 -46.5213 44.0154 -46.5215 -61.916 GPRESSAVG: 2169000 117.237 -12.5476 44.3526 -10.2043 -38.9717 -50.4759 43.2955 -44.5893 -61.5113 TIMING: 2169000 CPU: 6477.12, 0.00298871/step Wall: 6477.12, 0.00298871/step, 2.35029 hours remaining, 206.511719 MB of memory in use. ENERGY: 2169000 737.3842 2156.3539 1922.9209 108.3320 -205943.5870 17690.0328 0.0000 0.0000 34281.5607 -149047.0026 299.3894 -183328.5633 -148947.9130 299.3238 -87.4273 -56.6683 557018.8820 5.6230 5.5847 PRESSURE: 2169200 -95.2253 -27.7925 -41.3046 -27.7906 54.8683 -97.0378 -41.3045 -97.0362 -57.893 GPRESSURE: 2169200 -116.473 -11.8238 34.5767 -106.758 65.0836 -61.1652 -94.8812 -105.153 54.6375 PRESSAVG: 2169200 -40.7483 -83.497 29.4078 -83.497 70.179 -8.50358 29.4078 -8.50365 -6.67491 GPRESSAVG: 2169200 -40.5617 -81.4025 30.4239 -84.5882 70.3915 -4.65433 28.1166 -9.66266 -7.19962 TIMING: 2169200 CPU: 6477.72, 0.00297792/step Wall: 6477.72, 0.00297792/step, 2.34164 hours remaining, 206.511719 MB of memory in use. ENERGY: 2169200 712.6887 2095.4764 1922.2958 114.4160 -205665.7691 17557.9896 0.0000 0.0000 34313.5418 -148949.3607 299.6687 -183262.9025 -148851.5688 299.3172 -32.7500 1.0828 558825.3256 7.5852 7.5434 PRESSURE: 2169400 17.2075 -16.0602 -198.497 -16.0622 -208.175 -34.0478 -198.498 -34.0483 -30.9543 GPRESSURE: 2169400 123.334 -86.8426 -206.872 98.8232 -220.119 -96.9331 -101.28 -15.4717 -34.9694 PRESSAVG: 2169400 65.2288 -11.156 -37.971 -11.1559 -22.4961 -41.391 -37.971 -41.3909 -41.9129 GPRESSAVG: 2169400 65.1748 -11.8273 -37.5555 -8.90053 -21.9448 -42.1993 -35.6122 -41.8273 -41.8714 TIMING: 2169400 CPU: 6478.31, 0.00296087/step Wall: 6478.31, 0.00296087/step, 2.32807 hours remaining, 206.511719 MB of memory in use. ENERGY: 2169400 735.5408 2110.1630 1915.7691 96.7531 -205762.0080 17735.8374 0.0000 0.0000 34333.3435 -148834.6011 299.8416 -183167.9446 -148738.0655 300.1653 -73.9738 -43.9183 557631.7187 0.2733 0.4529 PRESSURE: 2169600 -68.1617 -63.6015 31.5453 -63.6015 -19.3202 169.471 31.5453 169.47 -48.8698 GPRESSURE: 2169600 -10.6765 -114.806 29.4946 -59.7981 9.54045 165.721 17.4052 119.299 -42.3057 PRESSAVG: 2169600 27.7635 6.03879 -15.8633 6.03873 -66.6851 41.9588 -15.8633 41.959 43.7779 GPRESSAVG: 2169600 27.8377 7.3289 -17.0836 3.87377 -67.2919 40.9253 -18.523 42.24 44.6493 TIMING: 2169600 CPU: 6478.9, 0.00294132/step Wall: 6478.9, 0.00294132/step, 2.31253 hours remaining, 206.511719 MB of memory in use. ENERGY: 2169600 743.9028 2097.1630 1922.3402 121.7039 -205650.4357 17718.1452 0.0000 0.0000 34314.2250 -148732.9555 299.6747 -183047.1805 -148636.5350 300.5126 -45.4506 -14.4806 559310.1211 1.6188 1.7317 PRESSURE: 2169800 -238.164 169.549 194.79 169.549 -244.308 75.7379 194.791 75.7382 -28.6129 GPRESSURE: 2169800 -203.871 137.754 200.302 102.09 -165.716 59.1516 229.474 50.0254 -31.7775 PRESSAVG: 2169800 -41.4655 14.8978 28.0418 14.8978 -28.5588 31.2252 28.0419 31.2253 74.1179 GPRESSAVG: 2169800 -42.1023 14.2825 28.4168 17.2194 -27.6645 31.7079 28.6472 29.2877 73.4411 TIMING: 2169800 CPU: 6479.5, 0.0029727/step Wall: 6479.5, 0.0029727/step, 2.33704 hours remaining, 206.511719 MB of memory in use. ENERGY: 2169800 747.5359 2026.2665 1932.6857 119.5787 -205782.3375 17680.4369 0.0000 0.0000 34301.7327 -148974.1011 299.5656 -183275.8338 -148874.7600 299.8199 -170.3618 -133.7884 558708.0694 1.3645 1.2248 PRESSURE: 2170000 -252.719 -64.3552 -10.1804 -64.356 -178.023 -188.528 -10.1808 -188.528 -209.921 GPRESSURE: 2170000 -239.258 -67.0338 78.6453 -12.3699 -107.919 -278.283 -50.4861 -80.0541 -186.363 PRESSAVG: 2170000 11.9266 26.2869 36.3478 26.2869 -66.0626 -15.0616 36.3477 -15.0616 44.5736 GPRESSAVG: 2170000 13.1947 25.5602 36.4766 26.5403 -66.4159 -15.0369 36.7508 -13.4729 42.9198 TIMING: 2170000 CPU: 6480.09, 0.00295548/step Wall: 6480.09, 0.00295548/step, 2.32333 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2170000 714.0345 2110.6077 1948.8136 127.5428 -205636.0091 17412.9101 0.0000 0.0000 34246.3388 -149075.7617 299.0818 -183322.1005 -148987.8314 299.5285 -213.5542 -177.8466 560436.4142 -3.1875 -3.4338 PRESSURE: 2170200 -205.242 -31.1854 -56.9475 -31.1853 -90.388 -55.3129 -56.9477 -55.3148 72.0951 GPRESSURE: 2170200 -181.302 -110.824 4.24187 60.4054 -42.7945 -42.0402 -125.728 10.9622 113.697 PRESSAVG: 2170200 45.0609 -57.7404 19.7399 -57.7404 -22.3911 -23.0682 19.7399 -23.0684 -46.7068 GPRESSAVG: 2170200 43.973 -54.8946 17.6185 -60.7035 -22.0222 -20.2251 19.6694 -24.0459 -45.9937 TIMING: 2170200 CPU: 6480.67, 0.00293369/step Wall: 6480.67, 0.00293369/step, 2.30605 hours remaining, 206.511719 MB of memory in use. ENERGY: 2170200 726.1566 2035.3725 1930.3874 120.2767 -205788.1696 17550.3285 0.0000 0.0000 34392.4874 -149033.1606 300.3581 -183425.6480 -148933.1804 299.6902 -74.5115 -36.7999 557677.6503 -8.0123 -8.0143 PRESSURE: 2170400 -69.5319 -10.7515 92.0969 -10.7501 143.449 227.655 92.0961 227.655 -183.268 GPRESSURE: 2170400 -4.27324 14.2665 -55.1346 8.78488 126.838 154.091 104.58 319.346 -144.539 PRESSAVG: 2170400 45.3433 3.5704 -1.10953 3.57055 -9.92599 -2.53527 -1.10961 -2.53539 -16.6225 GPRESSAVG: 2170400 45.8652 3.35181 1.39893 3.21475 -11.5677 -3.9731 -2.89889 -3.05021 -16.0799 TIMING: 2170400 CPU: 6481.26, 0.00295686/step Wall: 6481.26, 0.00295686/step, 2.32409 hours remaining, 206.511719 MB of memory in use. ENERGY: 2170400 718.3162 2083.8863 1944.3911 105.9927 -205706.7137 17714.2226 0.0000 0.0000 34007.8267 -149132.0780 296.9988 -183139.9047 -149032.9437 300.0446 -36.4503 -7.3247 558743.8497 6.2649 6.0725 PRESSURE: 2170600 92.8539 -1.30322 18.4699 -1.30363 59.5637 146.871 18.4683 146.871 -52.7312 GPRESSURE: 2170600 139.433 -60.5632 57.6445 2.7563 121.018 183.528 18.6035 153.731 -58.0157 PRESSAVG: 2170600 -17.1951 22.537 2.07614 22.5371 5.34585 45.5196 2.0761 45.5197 -8.25399 GPRESSAVG: 2170600 -17.5019 21.5241 0.471515 23.1109 6.88799 47.4545 2.51561 44.4805 -8.55142 TIMING: 2170600 CPU: 6481.86, 0.00296297/step Wall: 6481.86, 0.00296297/step, 2.32873 hours remaining, 206.511719 MB of memory in use. ENERGY: 2170600 746.3351 2069.1596 1922.1864 112.8453 -206208.0817 17850.3335 0.0000 0.0000 34456.8229 -149050.3989 300.9200 -183507.2219 -148957.0237 300.5822 33.2288 67.4783 557059.4339 -6.7011 -6.3885 PRESSURE: 2170800 44.0664 -117.119 213.974 -117.119 14.4606 -100.271 213.974 -100.269 -174.817 GPRESSURE: 2170800 57.1837 -137.919 160.621 -96.7022 48.3166 -54.3405 184.529 -118.748 -111.206 PRESSAVG: 2170800 -3.47067 48.9103 -2.51538 48.9102 36.6789 14.7476 -2.51545 14.7474 -40.0674 GPRESSAVG: 2170800 -3.78676 47.975 -3.11352 50.6876 37.3534 12.4763 -3.36099 14.6226 -40.6499 TIMING: 2170800 CPU: 6482.45, 0.00295494/step Wall: 6482.45, 0.00295494/step, 2.32226 hours remaining, 206.511719 MB of memory in use. ENERGY: 2170800 723.0127 2073.6831 1967.8658 118.6534 -206197.6086 17806.5607 0.0000 0.0000 34401.8190 -149106.0138 300.4396 -183507.8328 -149008.5675 300.6005 -38.7632 -1.9019 559128.8816 -2.2864 -2.3611 PRESSURE: 2171000 -11.9321 55.7558 110.677 55.7545 154.302 -24.3028 110.677 -24.3019 6.35558 GPRESSURE: 2171000 41.967 52.3573 180.687 66.3068 189.149 -58.9848 0.027035 -23.5387 19.8752 PRESSAVG: 2171000 3.22614 24.2198 35.2299 24.2199 55.8597 -7.01171 35.2299 -7.01172 -15.4329 GPRESSAVG: 2171000 3.1852 25.3344 37.7339 24.2576 54.4906 -6.59203 33.5619 -6.20016 -14.4934 TIMING: 2171000 CPU: 6483.05, 0.00300116/step Wall: 6483.05, 0.00300116/step, 2.35841 hours remaining, 206.511719 MB of memory in use. ENERGY: 2171000 740.2828 2093.8392 1943.5134 116.8119 -206384.7848 17967.6325 0.0000 0.0000 34361.1377 -149161.5672 300.0844 -183522.7049 -149063.5349 300.2605 49.5752 83.6638 556590.0537 14.5510 14.3941 PRESSURE: 2171200 165.607 180.24 -27.1609 180.24 -189.183 14.0755 -27.1614 14.0744 -94.5282 GPRESSURE: 2171200 147.896 135.671 -99.7665 191.585 -121.072 -0.705762 75.9929 63.536 -46.1962 PRESSAVG: 2171200 0.938989 27.3731 38.6316 27.3731 9.12821 -59.1644 38.6317 -59.1645 -5.72912 GPRESSAVG: 2171200 0.0586701 24.9874 36.8664 26.1091 9.83233 -60.7477 41.1086 -56.8586 -5.82699 TIMING: 2171200 CPU: 6483.65, 0.00302379/step Wall: 6483.65, 0.00302379/step, 2.37603 hours remaining, 206.511719 MB of memory in use. ENERGY: 2171200 777.5663 2127.4987 1931.0616 110.5767 -206252.0209 17905.5174 0.0000 0.0000 34332.7103 -149067.0899 299.8361 -183399.8002 -148964.7102 299.5923 -39.3681 -6.4572 558087.4632 1.4460 1.3547 PRESSURE: 2171400 83.4064 106.714 24.3119 106.713 27.0306 -232.208 24.3128 -232.208 -92.0315 GPRESSURE: 2171400 108.991 92.7621 9.10447 130.294 84.7169 -188.932 11.5027 -224.49 -74.6284 PRESSAVG: 2171400 27.0967 -9.44202 7.0392 -9.44212 0.851551 -18.0632 7.03919 -18.0633 -7.10091 GPRESSAVG: 2171400 29.3836 -8.1887 8.48462 -6.45705 -0.247364 -14.9601 4.25528 -20.0669 -8.24297 TIMING: 2171400 CPU: 6484.25, 0.00297096/step Wall: 6484.25, 0.00297097/step, 2.33435 hours remaining, 206.511719 MB of memory in use. ENERGY: 2171400 763.9428 2072.6491 1942.3600 113.3601 -205844.7146 17817.1107 0.0000 0.0000 34055.9404 -149079.3514 297.4190 -183135.2919 -148979.3488 300.0660 6.1351 39.6932 557314.4426 6.9491 6.9644 PRESSURE: 2171600 55.1631 250.442 -91.3132 250.442 152.846 73.2816 -91.3139 73.2813 282.596 GPRESSURE: 2171600 106.315 216.633 -116.052 281.858 192.585 84.3766 -148.057 48.4655 298.237 PRESSAVG: 2171600 -52.409 -16.1123 39.2385 -16.1124 -5.13391 6.49079 39.2385 6.49077 51.624 GPRESSAVG: 2171600 -54.2377 -13.4175 39.352 -19.0274 -4.26145 3.71149 41.8247 7.60469 52.761 TIMING: 2171600 CPU: 6484.84, 0.00297832/step Wall: 6484.84, 0.00297832/step, 2.33996 hours remaining, 206.511719 MB of memory in use. ENERGY: 2171600 694.9252 2117.5928 1938.7391 127.5483 -206348.2928 17864.6236 0.0000 0.0000 34524.2190 -149080.6448 301.5086 -183604.8637 -148982.7248 299.2586 163.5351 199.0456 555958.4147 -1.9730 -1.9127 PRESSURE: 2171800 -109.345 9.48366 -38.1069 9.48307 208.318 119.455 -38.1077 119.454 86.5997 GPRESSURE: 2171800 -108.671 -51.102 -64.7053 76.2232 261.25 155.589 -51.3062 160.75 124.347 PRESSAVG: 2171800 -53.5776 19.8445 22.9347 19.8445 34.8655 -30.9488 22.9347 -30.9487 39.3789 GPRESSAVG: 2171800 -53.0327 18.4799 21.667 21.2934 35.134 -28.78 22.5814 -33.0967 38.5618 TIMING: 2171800 CPU: 6485.44, 0.00299044/step Wall: 6485.44, 0.00299044/step, 2.34932 hours remaining, 206.511719 MB of memory in use. ENERGY: 2171800 760.2248 2110.3701 1928.6550 118.5040 -205928.2350 17834.4826 0.0000 0.0000 34166.9941 -149009.0044 298.3889 -183175.9985 -148908.2234 300.4844 61.8573 92.3088 556213.9848 6.8890 6.8877 PRESSURE: 2172000 -129.88 -29.0581 161.873 -29.0579 -124.129 29.8403 161.872 29.8403 28.0447 GPRESSURE: 2172000 -110.099 -78.469 163.616 -2.25923 -58.2743 58.5251 167.653 33.2601 55.7554 PRESSAVG: 2172000 -63.8316 -2.9023 5.61584 -2.90231 -4.71371 5.03822 5.61581 5.03819 26.8939 GPRESSAVG: 2172000 -64.2132 -3.27727 5.35092 -4.49164 -5.6282 6.02667 4.00998 6.26247 27.9098 TIMING: 2172000 CPU: 6486.04, 0.00297125/step Wall: 6486.04, 0.00297125/step, 2.33408 hours remaining, 206.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2172000 716.8098 2090.2137 1925.7528 100.6504 -205996.1057 17764.0614 0.0000 0.0000 34377.1390 -149021.4786 300.2241 -183398.6177 -148924.2151 300.3733 -75.3214 -37.5392 559042.5814 -13.8838 -13.9772 PRESSURE: 2172200 109.995 -40.4763 -124.832 -40.4774 30.4347 -43.8206 -124.833 -43.8195 55.7194 GPRESSURE: 2172200 152.513 -0.84797 -100.621 -122.151 84.6121 -81.3559 -89.919 -37.7147 65.3395 PRESSAVG: 2172200 31.4634 6.44682 -13.1503 6.44665 37.2802 18.4053 -13.1503 18.4053 -46.7387 GPRESSAVG: 2172200 31.617 8.56466 -12.0744 7.35822 37.6916 18.2763 -10.6853 17.188 -47.5836 TIMING: 2172200 CPU: 6486.63, 0.00299558/step Wall: 6486.63, 0.00299558/step, 2.35303 hours remaining, 206.511719 MB of memory in use. ENERGY: 2172200 731.3117 2065.7654 1967.6911 106.9140 -205817.0760 17595.4248 0.0000 0.0000 34220.4740 -149129.4949 298.8559 -183349.9689 -149031.1237 299.8000 65.3829 100.8215 557181.8066 7.3350 7.2417 LDB: ============= START OF LOAD BALANCING ============== 6490.18 LDB: ============== END OF LOAD BALANCING =============== 6490.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6490.18 LDB: ============= START OF LOAD BALANCING ============== 6490.48 LDB: Largest compute 4773 load 0.031277 is 26.5% of average load 0.118145 LDB: Average compute 0.001730 is 1.5% of average load 0.118145 LDB: TIME 6490.48 LOAD: AVG 0.118145 MAX 0.198514 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 6490.49 LOAD: AVG 0.118145 MAX 0.198514 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.004 MB LDB: TIME 6490.49 LOAD: AVG 0.118145 MAX 0.198514 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.004 MB LDB: ============== END OF LOAD BALANCING =============== 6490.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6490.49 PRESSURE: 2172400 -26.3214 -23.3904 77.0484 -23.3893 -0.495636 -69.2187 77.0486 -69.2184 -48.1893 GPRESSURE: 2172400 -41.2628 -51.8517 63.2255 17.8887 19.8971 -92.069 47.7095 -65.6317 34.6701 PRESSAVG: 2172400 66.6616 16.8819 34.0816 16.8819 4.04555 7.62298 34.0816 7.62303 -6.61288 GPRESSAVG: 2172400 67.342 13.5808 33.4936 16.3612 3.4451 5.02273 33.2745 8.31726 -6.47388 TIMING: 2172400 CPU: 6487.24, 0.00303457/step Wall: 6487.24, 0.00303457/step, 2.38349 hours remaining, 207.792969 MB of memory in use. ENERGY: 2172400 758.2934 2055.8459 1910.5592 125.2976 -205857.8549 17795.3872 0.0000 0.0000 34157.6920 -149054.7795 298.3076 -183212.4715 -148961.8327 299.6521 -25.0021 4.4348 558279.3749 21.3648 21.4377 PRESSURE: 2172600 -259.81 54.41 108.757 54.41 -172.504 65.4054 108.757 65.4039 -120.011 GPRESSURE: 2172600 -266.056 36.1492 148.181 73.9236 -91.9144 -1.0985 77.9427 37.4773 -94.6451 PRESSAVG: 2172600 -58.3488 12.5482 22.6559 12.5482 10.2672 0.391189 22.6558 0.391151 29.6771 GPRESSAVG: 2172600 -58.8778 14.1702 23.4084 13.2174 11.3094 0.915628 21.2102 -0.332374 29.5529 TIMING: 2172600 CPU: 6487.83, 0.00295786/step Wall: 6487.83, 0.00295786/step, 2.32307 hours remaining, 207.996094 MB of memory in use. ENERGY: 2172600 764.5062 2047.2828 1936.5523 122.6286 -205867.5116 17688.7450 0.0000 0.0000 34353.5690 -148954.2278 300.0183 -183307.7968 -148854.2057 299.7483 -184.1085 -150.8719 558778.4780 -6.1348 -6.0052 PRESSURE: 2172800 -345.857 122.655 -55.6771 122.656 -78.019 -48.6257 -55.677 -48.6253 -57.6155 GPRESSURE: 2172800 -287.542 95.7569 -54.5722 172.388 -83.3481 -55.4284 19.2621 -91.8269 -8.89041 PRESSAVG: 2172800 -59.3115 14.9028 -24.6683 14.903 55.882 -16.6867 -24.6683 -16.6867 -21.2878 GPRESSAVG: 2172800 -59.7392 14.7012 -23.369 14.5488 54.7962 -16.7053 -25.7872 -17.2605 -19.9355 TIMING: 2172800 CPU: 6488.43, 0.00300261/step Wall: 6488.43, 0.00300261/step, 2.35805 hours remaining, 207.996094 MB of memory in use. ENERGY: 2172800 771.4180 2035.8495 1902.6805 109.6673 -206046.5270 17590.3534 0.0000 0.0000 34630.9246 -149005.6335 302.4405 -183636.5581 -148912.2559 300.2516 -160.4970 -126.5936 558050.9360 -8.2391 -8.2928 PRESSURE: 2173000 -229.908 -27.1613 75.5885 -27.1614 -222.877 43.3178 75.5896 43.3184 -112.413 GPRESSURE: 2173000 -180.231 22.9819 2.08592 -3.74139 -221.498 70.1529 -24.1728 -58.8899 -65.2171 PRESSAVG: 2173000 -2.236 31.0099 19.4982 31.0099 30.7203 10.6581 19.4981 10.658 -40.8574 GPRESSAVG: 2173000 -1.4433 32.7753 19.5468 29.0182 32.2057 11.3471 20.4015 12.2913 -42.6129 TIMING: 2173000 CPU: 6489.04, 0.00301536/step Wall: 6489.04, 0.00301536/step, 2.36789 hours remaining, 207.996094 MB of memory in use. ENERGY: 2173000 806.0218 1979.0854 1934.6551 121.5627 -205672.3818 17525.7806 0.0000 0.0000 34305.5224 -148999.7537 299.5987 -183305.2761 -148897.8644 300.1371 -188.3993 -155.6488 559160.7899 -4.1244 -3.9502 PRESSURE: 2173200 87.4167 16.1325 -6.22287 16.1327 6.31249 -88.9982 -6.22234 -88.9973 -195.206 GPRESSURE: 2173200 80.7698 15.2877 68.9656 -19.8013 55.1355 -141.714 -10.2839 -68.1953 -140.317 PRESSAVG: 2173200 -14.7074 11.3205 -24.3486 11.3205 2.98821 -8.3398 -24.3485 -8.33968 -30.987 GPRESSAVG: 2173200 -14.5299 11.4014 -24.788 11.6659 2.50598 -7.87019 -24.0611 -8.88602 -30.4982 TIMING: 2173200 CPU: 6489.63, 0.00296426/step Wall: 6489.63, 0.00296426/step, 2.3276 hours remaining, 207.996094 MB of memory in use. ENERGY: 2173200 724.2214 2051.8762 1938.3109 105.5982 -205739.8996 17797.3157 0.0000 0.0000 34274.2559 -148848.3212 299.3256 -183122.5771 -148750.5266 299.9178 -33.8257 -1.4707 560282.2010 -14.2354 -14.1741 PRESSURE: 2173400 31.6787 -41.7208 34.7102 -41.7203 333.243 -58.1098 34.7097 -58.1081 -58.6398 GPRESSURE: 2173400 134.431 -121.159 1.82984 -41.7671 341.859 -20.5407 13.1791 -70.1315 -74.7016 PRESSAVG: 2173400 -12.796 7.53336 -21.2978 7.53331 12.4707 -7.66359 -21.2978 -7.66345 25.3697 GPRESSAVG: 2173400 -12.4441 6.64285 -22.278 6.67247 11.7042 -7.40309 -21.5846 -6.78656 25.5189 TIMING: 2173400 CPU: 6490.23, 0.00298062/step Wall: 6490.23, 0.00298062/step, 2.34028 hours remaining, 207.996094 MB of memory in use. ENERGY: 2173400 726.1982 2173.9093 1950.1879 118.8452 -206081.7537 17976.6298 0.0000 0.0000 34253.3532 -148882.6301 299.1431 -183135.9832 -148782.5971 300.3624 102.0938 133.8630 558976.2477 8.3481 8.2597 PRESSURE: 2173600 -114.205 -32.7208 -132.64 -32.7203 -158.428 195.451 -132.641 195.448 -294.019 GPRESSURE: 2173600 -126.951 -66.6324 -96.537 -54.2524 -68.6692 172.459 -153.852 224.144 -285.071 PRESSAVG: 2173600 -65.5238 -44.9967 -20.1846 -44.9968 56.3595 29.1203 -20.1846 29.1203 6.25726 GPRESSAVG: 2173600 -66.2868 -45.0803 -20.8499 -42.138 56.8652 27.3171 -19.1492 30.1188 5.47138 TIMING: 2173600 CPU: 6490.82, 0.00295838/step Wall: 6490.82, 0.00295838/step, 2.32266 hours remaining, 207.996094 MB of memory in use. ENERGY: 2173600 749.7365 2099.6727 1915.6805 116.4725 -205791.2380 17739.8273 0.0000 0.0000 34367.3966 -148802.4519 300.1390 -183169.8485 -148705.4918 299.9849 -188.8842 -160.2304 559584.3720 -0.9690 -1.3167 PRESSURE: 2173800 305.811 91.3922 40.012 91.3928 48.9772 41.9972 40.0109 41.9978 354.112 GPRESSURE: 2173800 330.162 6.56354 128.572 128.518 81.355 10.6945 25.2305 69.7306 390.279 PRESSAVG: 2173800 -8.50281 -9.44105 30.9749 -9.44101 -42.6951 -6.95749 30.975 -6.95756 32.3472 GPRESSAVG: 2173800 -9.81317 -10.3611 31.6125 -8.71205 -42.9882 -7.37261 29.1852 -7.82081 33.6515 TIMING: 2173800 CPU: 6491.41, 0.00295736/step Wall: 6491.41, 0.00295736/step, 2.32169 hours remaining, 207.996094 MB of memory in use. ENERGY: 2173800 772.4253 2102.5660 1938.9610 117.5270 -206155.7674 18095.8283 0.0000 0.0000 34367.9387 -148760.5211 300.1438 -183128.4598 -148664.5733 301.1782 236.2998 267.2656 559434.0914 -6.2836 -6.3833 PRESSURE: 2174000 209.545 -45.4762 51.9393 -45.4752 -13.9749 82.5059 51.9395 82.5058 76.3831 GPRESSURE: 2174000 255.104 -98.2043 116.055 -35.4333 79.873 139.843 -30.8772 90.6991 37.2571 PRESSAVG: 2174000 27.4697 -28.3291 0.299436 -28.3292 35.7722 -1.96029 0.299374 -1.96028 -13.5832 GPRESSAVG: 2174000 29.3136 -27.016 -1.8984 -29.8046 34.7113 0.13516 1.90868 -1.77321 -13.9621 TIMING: 2174000 CPU: 6492, 0.00295651/step Wall: 6492, 0.00295651/step, 2.32086 hours remaining, 207.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2174000 774.9042 2114.2683 1962.0205 116.1423 -206027.8780 17885.6528 0.0000 0.0000 34433.6239 -148741.2660 300.7174 -183174.8899 -148644.3727 301.0781 90.6512 124.0779 556448.9215 16.5529 16.6876 PRESSURE: 2174200 130.807 -47.3953 2.97777 -47.3954 68.4758 -81.1521 2.97834 -81.153 136.058 GPRESSURE: 2174200 168.105 -13.1435 70.6973 -19.6351 110.454 -47.4889 3.30006 -64.0437 161.061 PRESSAVG: 2174200 2.1225 38.7992 -31.3941 38.7992 62.934 25.4684 -31.3941 25.4685 -7.66478 GPRESSAVG: 2174200 1.59688 39.4433 -30.2061 38.7345 63.5661 25.2101 -28.52 27.1417 -8.09163 TIMING: 2174200 CPU: 6492.6, 0.00298309/step Wall: 6492.6, 0.00298309/step, 2.34156 hours remaining, 207.996094 MB of memory in use. ENERGY: 2174200 754.7446 2135.7082 1939.2933 113.9058 -205985.0617 17874.9249 0.0000 0.0000 34420.7553 -148745.7297 300.6050 -183166.4850 -148647.8688 301.0543 111.7803 146.5399 557236.8915 19.1306 19.0238 PRESSURE: 2174400 330.579 93.0822 46.1514 93.0821 97.2553 -12.2664 46.1516 -12.2675 -177.905 GPRESSURE: 2174400 340.234 33.4361 68.5014 135.46 116.478 -6.4477 5.56647 -1.85722 -118.092 PRESSAVG: 2174400 -28.2145 19.1406 -25.8231 19.1406 57.8084 -19.5448 -25.823 -19.5449 -58.8949 GPRESSAVG: 2174400 -27.5141 17.0017 -24.4351 20.9073 57.4986 -19.5821 -29.7534 -21.869 -59.1915 TIMING: 2174400 CPU: 6493.2, 0.00300026/step Wall: 6493.2, 0.00300026/step, 2.35487 hours remaining, 207.996094 MB of memory in use. ENERGY: 2174400 740.8778 2106.9562 1949.4431 111.4643 -205658.0325 17620.5941 0.0000 0.0000 34386.3472 -148742.3498 300.3045 -183128.6970 -148653.6056 300.9274 83.3096 112.8730 556505.1377 -9.7670 -9.7357 PRESSURE: 2174600 -34.6511 -39.4375 -39.3606 -39.4365 -12.3472 -30.2232 -39.3621 -30.2216 138.794 GPRESSURE: 2174600 45.7614 -15.086 -2.57894 -28.2216 3.06985 -24.5392 -80.108 79.6375 152.003 PRESSAVG: 2174600 42.3188 20.6152 -17.0681 20.6152 -3.08496 -20.7825 -17.068 -20.7825 -13.2643 GPRESSAVG: 2174600 41.0963 21.6628 -17.7231 19.2362 -2.662 -21.1561 -16.2786 -19.1445 -12.6114 TIMING: 2174600 CPU: 6493.8, 0.00299822/step Wall: 6493.8, 0.00299822/step, 2.3531 hours remaining, 207.996094 MB of memory in use. ENERGY: 2174600 742.3994 2145.4597 1949.6639 107.1909 -206236.5332 17963.9221 0.0000 0.0000 34507.9607 -148819.9364 301.3666 -183327.8971 -148719.8552 301.0630 30.5985 66.9447 558445.8978 8.6565 8.6076 PRESSURE: 2174800 -258.678 8.24467 -92.108 8.2459 -148.693 55.645 -92.1082 55.6457 -112.27 GPRESSURE: 2174800 -226.867 -47.7859 -162.727 98.1343 -117.032 114.697 -23.5346 27.3686 -66.9431 PRESSAVG: 2174800 65.9839 -11.7729 25.0403 -11.7729 -80.8281 23.7623 25.0402 23.7622 33.299 GPRESSAVG: 2174800 65.6855 -11.3405 25.6178 -10.8688 -80.5184 24.5645 25.51 22.5293 33.3965 TIMING: 2174800 CPU: 6494.4, 0.00300974/step Wall: 6494.4, 0.00300974/step, 2.36198 hours remaining, 207.996094 MB of memory in use. ENERGY: 2174800 808.4395 2086.3035 1980.0913 113.2918 -206182.1801 17732.8444 0.0000 0.0000 34474.6748 -148986.5348 301.0759 -183461.2096 -148894.7584 300.7111 -173.2133 -136.9473 557912.1381 6.1516 6.1879 PRESSURE: 2175000 -168.482 48.7735 49.7211 48.7738 146.956 -114.624 49.72 -114.626 -214.36 GPRESSURE: 2175000 -129.397 5.16349 18.9804 43.0559 156.661 -176.761 65.922 -67.8872 -165.861 PRESSAVG: 2175000 38.4853 16.135 12.0927 16.1349 -43.8264 -41.5304 12.0926 -41.5304 70.0205 GPRESSAVG: 2175000 40.2408 14.958 10.8281 17.0985 -45.4572 -39.5777 11.9591 -39.0234 69.4951 TIMING: 2175000 CPU: 6495, 0.00301027/step Wall: 6495, 0.00301027/step, 2.36223 hours remaining, 207.996094 MB of memory in use. ENERGY: 2175000 767.2042 2109.6575 1966.1975 124.3243 -206092.8687 17774.4723 0.0000 0.0000 34325.7729 -149025.2398 299.7755 -183351.0128 -148926.0116 300.0362 -78.6286 -46.1989 557548.7123 21.5598 21.4262 PRESSURE: 2175200 289.734 44.1039 153.157 44.104 -96.008 -90.5079 153.158 -90.5102 42.4349 GPRESSURE: 2175200 275.924 51.9245 130.003 66.4258 -12.9674 -152.224 155.363 -45.0477 75.5121 PRESSAVG: 2175200 -7.96403 -30.9435 13.8563 -30.9435 -13.3568 -51.2669 13.8563 -51.2669 27.5086 GPRESSAVG: 2175200 -9.34949 -29.7964 14.1285 -32.7221 -11.9904 -52.4862 14.2159 -54.4597 27.6193 TIMING: 2175200 CPU: 6495.6, 0.00299512/step Wall: 6495.6, 0.00299512/step, 2.35017 hours remaining, 207.996094 MB of memory in use. ENERGY: 2175200 722.7364 2091.7069 1945.2807 118.9196 -206183.0199 17818.0613 0.0000 0.0000 34303.3249 -149182.9901 299.5795 -183486.3149 -149089.7249 300.1872 78.7202 112.8228 557560.1321 2.0626 2.0931 PRESSURE: 2175400 -218.488 58.1376 -38.4651 58.138 -239.145 43.8041 -38.4651 43.8031 -205.576 GPRESSURE: 2175400 -123.598 46.3017 -61.5248 43.8564 -242.239 34.4254 -47.1942 22.9176 -187.929 PRESSAVG: 2175400 -8.00384 -7.22492 -39.569 -7.22495 49.597 31.2558 -39.569 31.2558 -53.022 GPRESSAVG: 2175400 -7.23644 -7.0904 -38.4044 -6.74844 48.4922 29.2823 -39.538 31.9715 -52.9364 TIMING: 2175400 CPU: 6496.19, 0.00296642/step Wall: 6496.19, 0.00296642/step, 2.32748 hours remaining, 207.996094 MB of memory in use. ENERGY: 2175400 747.1440 2091.3240 1930.0184 127.8722 -206095.8481 17688.7593 0.0000 0.0000 34289.8839 -149220.8462 299.4621 -183510.7302 -149112.6432 299.1589 -221.0696 -184.5887 559092.5583 -3.8096 -3.8936 PRESSURE: 2175600 107.616 170.764 -19.5438 170.763 6.52286 67.5339 -19.5444 67.5333 249.102 GPRESSURE: 2175600 235.148 176.199 -26.6836 105.968 -33.7142 40.0726 2.08513 113.503 259.259 PRESSAVG: 2175600 -10.2741 21.8092 -31.6661 21.8092 41.7936 27.0667 -31.6663 27.0667 -17.3243 GPRESSAVG: 2175600 -11.8469 22.1607 -32.0317 20.8112 43.45 25.4058 -33.3415 28.0157 -17.6745 TIMING: 2175600 CPU: 6496.78, 0.00296089/step Wall: 6496.78, 0.00296089/step, 2.32298 hours remaining, 207.996094 MB of memory in use. ENERGY: 2175600 724.1100 2131.5423 1912.8423 112.2602 -206294.8266 18025.7253 0.0000 0.0000 34082.6341 -149305.7125 297.6521 -183388.3466 -149207.2218 299.4945 121.0802 153.5640 558006.5956 4.7317 4.6429 PRESSURE: 2175800 -222.51 20.5492 -32.6364 20.5484 65.6326 -15.3103 -32.6375 -15.3108 -60.7279 GPRESSURE: 2175800 -228.848 17.4532 -59.0846 92.094 110.619 75.4974 12.0104 -61.0927 2.1643 PRESSAVG: 2175800 -14.9151 -49.0017 -32.721 -49.0018 -12.2414 2.02588 -32.721 2.02584 3.25509 GPRESSAVG: 2175800 -14.6017 -48.0421 -32.0739 -48.6844 -12.4081 4.15619 -31.643 0.410041 3.45161 TIMING: 2175800 CPU: 6497.38, 0.00295907/step Wall: 6497.38, 0.00295907/step, 2.32139 hours remaining, 207.996094 MB of memory in use. ENERGY: 2175800 724.6553 2104.7195 1919.6926 113.2244 -205652.1768 17505.2790 0.0000 0.0000 34098.0130 -149186.5931 297.7864 -183284.6061 -149087.2955 299.5587 -72.5352 -38.6883 557254.3466 -7.9671 -7.8527 PRESSURE: 2176000 12.8813 28.1692 -23.0942 28.1687 -376.96 -71.9782 -23.0938 -71.9784 142.826 GPRESSURE: 2176000 100.453 -0.830439 15.3818 19.6857 -315.419 -8.97692 9.27372 -117.992 97.4778 PRESSAVG: 2176000 -15.5593 -34.7384 19.8739 -34.7384 33.5538 16.7139 19.874 16.7137 3.61034 GPRESSAVG: 2176000 -15.9776 -34.559 20.6112 -34.7094 33.9641 18.1491 20.8237 18.4167 3.96151 TIMING: 2176000 CPU: 6497.97, 0.00296773/step Wall: 6497.97, 0.00296773/step, 2.32802 hours remaining, 207.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2176000 714.9036 2044.3269 1924.3624 122.4692 -206085.0110 17741.5750 0.0000 0.0000 34522.7301 -149014.6438 301.4956 -183537.3739 -148920.9960 300.1784 -73.7511 -39.1626 555993.0111 7.2016 7.3160 PRESSURE: 2176200 -216.394 -81.3397 -134.982 -81.3394 129.717 -201.649 -134.983 -201.648 212.857 GPRESSURE: 2176200 -185.229 -108.044 -34.4389 -57.5189 189.816 -262.813 -179.608 -128.712 217.235 PRESSAVG: 2176200 -33.0265 16.5028 -11.9922 16.5028 56.9963 20.2364 -11.9922 20.2364 33.715 GPRESSAVG: 2176200 -32.1804 17.0199 -12.6305 17.7909 56.3939 17.0803 -12.9322 21.1958 33.453 TIMING: 2176200 CPU: 6498.56, 0.00296461/step Wall: 6498.56, 0.00296461/step, 2.32541 hours remaining, 207.996094 MB of memory in use. ENERGY: 2176200 753.8774 2156.8364 1963.1416 112.0597 -206154.1223 17865.5156 0.0000 0.0000 34373.9634 -148928.7281 300.1964 -183302.6915 -148832.7987 300.5993 42.0598 73.9411 556824.1858 19.2283 19.2222 LDB: ============= START OF LOAD BALANCING ============== 6502.11 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6502.11 LDB: =============== DONE WITH MIGRATION ================ 6502.12 LDB: ============= START OF LOAD BALANCING ============== 6502.42 LDB: Largest compute 4773 load 0.029927 is 25.3% of average load 0.118270 LDB: Average compute 0.001728 is 1.5% of average load 0.118270 LDB: TIME 6502.42 LOAD: AVG 0.11827 MAX 0.204314 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.801 MB LDB: TIME 6502.42 LOAD: AVG 0.11827 MAX 0.204314 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.805 MB LDB: TIME 6502.42 LOAD: AVG 0.11827 MAX 0.204314 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.805 MB LDB: ============== END OF LOAD BALANCING =============== 6502.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6502.43 PRESSURE: 2176400 -77.1638 -2.94118 -2.52259 -2.94091 -192.604 56.5666 -2.52275 56.5654 -143.539 GPRESSURE: 2176400 -31.35 -40.806 11.4778 18.4276 -161.004 193.286 -39.1834 12.4238 -117.287 PRESSAVG: 2176400 -30.9693 -28.2799 -66.9682 -28.2798 14.7612 -26.6906 -66.9682 -26.6905 42.663 GPRESSAVG: 2176400 -30.52 -30.3467 -68.1252 -27.8718 14.2373 -24.3087 -67.385 -29.7096 42.8636 TIMING: 2176400 CPU: 6499.18, 0.00306434/step Wall: 6499.18, 0.00306434/step, 2.40347 hours remaining, 207.027344 MB of memory in use. ENERGY: 2176400 783.2796 2054.7811 1947.8221 115.5653 -205705.7645 17531.9662 0.0000 0.0000 34244.3773 -149027.9729 299.0647 -183272.3502 -148927.3003 300.2118 -137.7690 -103.2138 556998.3339 8.8183 8.8603 PRESSURE: 2176600 -222.704 90.7271 -44.524 90.7274 -239.496 -25.8338 -44.5241 -25.8354 88.9541 GPRESSURE: 2176600 -200.651 88.2026 21.1065 179.922 -203.072 -14.6387 -67.7289 -78.6707 119.439 PRESSAVG: 2176600 -41.75 -50.7565 -19.1436 -50.7566 35.2369 -3.97651 -19.1435 -3.97651 17.9013 GPRESSAVG: 2176600 -43.0062 -48.4428 -18.3957 -51.4702 36.4415 -5.36712 -17.8105 -2.48736 17.596 TIMING: 2176600 CPU: 6499.77, 0.00297502/step Wall: 6499.77, 0.00297502/step, 2.33324 hours remaining, 207.027344 MB of memory in use. ENERGY: 2176600 748.2554 2121.8762 1952.5994 117.6219 -205950.5096 17548.2314 0.0000 0.0000 34337.9331 -149123.9923 299.8817 -183461.9254 -149027.4874 299.0938 -124.4155 -94.7616 556964.7637 3.7961 3.6771 PRESSURE: 2176800 -104.253 -87.6394 185.436 -87.6406 -44.2252 -194.367 185.436 -194.368 -62.3362 GPRESSURE: 2176800 -60.2008 21.2903 255.254 -76.0565 -24.0338 -237.886 131.718 -176.792 -26.0259 PRESSAVG: 2176800 1.09434 -18.1844 22.3152 -18.1843 -22.1874 23.1148 22.3151 23.1147 17.6785 GPRESSAVG: 2176800 3.13548 -20.7541 21.975 -16.7689 -24.4492 24.0036 24.1488 23.4032 17.7698 TIMING: 2176800 CPU: 6500.37, 0.0029748/step Wall: 6500.37, 0.0029748/step, 2.3329 hours remaining, 207.027344 MB of memory in use. ENERGY: 2176800 749.1762 2112.1633 1931.6555 110.4667 -205875.3800 17592.5928 0.0000 0.0000 34342.8199 -149036.5055 299.9244 -183379.3254 -148933.5428 299.0396 -70.2715 -36.7535 556823.3481 -1.1382 -1.1813 PRESSURE: 2177000 13.0422 -26.3574 125.553 -26.3568 -85.1976 -141.483 125.552 -141.484 -24.4884 GPRESSURE: 2177000 7.25832 6.55198 79.9381 -94.864 -27.2781 -155.127 85.1442 -67.1745 28.0158 PRESSAVG: 2177000 28.6075 18.4742 5.53476 18.4743 -51.0233 -30.7147 5.53477 -30.7148 -3.30097 GPRESSAVG: 2177000 26.9851 20.1536 5.84867 16.8058 -48.7062 -30.6245 2.93643 -31.6213 -4.46877 TIMING: 2177000 CPU: 6500.96, 0.00297294/step Wall: 6500.96, 0.00297294/step, 2.33128 hours remaining, 207.027344 MB of memory in use. ENERGY: 2177000 719.3133 2111.2867 1912.2515 113.8856 -205582.1954 17517.8071 0.0000 0.0000 34291.8873 -148915.7639 299.4796 -183207.6512 -148817.8644 300.0453 -32.2146 2.6653 556278.7428 -8.5723 -8.7299 PRESSURE: 2177200 -70.3483 2.65088 118.259 2.65152 105.889 93.1878 118.261 93.1871 -2.72009 GPRESSURE: 2177200 -32.6762 55.562 126.077 -30.2315 74.2772 55.617 42.1548 75.0489 84.74 PRESSAVG: 2177200 36.3398 28.6731 3.87121 28.673 -64.7967 9.79996 3.87123 9.79996 25.1605 GPRESSAVG: 2177200 36.9435 27.3978 4.48511 28.3376 -65.399 7.52828 4.91796 11.9635 24.8365 TIMING: 2177200 CPU: 6501.56, 0.00299155/step Wall: 6501.56, 0.00299155/step, 2.34571 hours remaining, 207.027344 MB of memory in use. ENERGY: 2177200 700.6176 2108.2320 1941.8296 121.3830 -205964.9526 17720.9036 0.0000 0.0000 34217.4455 -149154.5412 298.8295 -183371.9867 -149063.3177 300.0894 10.9402 42.1137 556833.8198 -1.0988 -1.2063 PRESSURE: 2177400 363.51 -10.9833 -2.15818 -10.9831 177.225 175.719 -2.15718 175.719 -81.7385 GPRESSURE: 2177400 387.986 -5.94952 23.9321 -32.1341 181.152 120.855 -87.2681 137.544 -18.384 PRESSAVG: 2177400 53.6208 -62.0614 -3.68305 -62.0615 -23.1662 -20.5674 -3.68306 -20.5674 6.4132 GPRESSAVG: 2177400 52.6631 -61.4753 -6.379 -62.6134 -23.1963 -17.7586 -3.33097 -22.8112 7.06407 TIMING: 2177400 CPU: 6502.16, 0.00302406/step Wall: 6502.16, 0.00302406/step, 2.37103 hours remaining, 207.027344 MB of memory in use. ENERGY: 2177400 751.1117 2102.3885 1917.6318 102.0349 -206572.7471 17994.3649 0.0000 0.0000 34508.6862 -149196.5293 301.3729 -183705.2154 -149099.6719 299.5600 152.9990 183.5847 556318.1863 12.2893 12.1769 PRESSURE: 2177600 -80.9113 -34.2745 156.383 -34.2757 -159.566 95.082 156.383 95.0825 57.4528 GPRESSURE: 2177600 -74.0147 -7.0853 173.608 -58.669 -77.1041 144.7 118.314 82.6886 67.3953 PRESSAVG: 2177600 -4.81246 14.6805 -40.1006 14.6805 20.8756 12.8089 -40.1006 12.8089 25.9778 GPRESSAVG: 2177600 -6.31786 14.1 -40.6295 16.9734 21.4699 12.0702 -39.1574 12.5484 26.6484 TIMING: 2177600 CPU: 6502.76, 0.00299334/step Wall: 6502.76, 0.00299334/step, 2.34678 hours remaining, 207.027344 MB of memory in use. ENERGY: 2177600 735.6921 2115.0946 1934.5752 121.8937 -206093.4186 17633.2517 0.0000 0.0000 34143.7034 -149409.2079 298.1855 -183552.9113 -149308.7238 299.3010 -61.0082 -27.9078 557054.2623 14.0137 13.9335 PRESSURE: 2177800 -159.121 -26.7163 118.427 -26.7161 -33.4515 -85.4906 118.427 -85.4923 -169.435 GPRESSURE: 2177800 -79.6714 -63.5867 152.204 -24.6003 -39.7551 -71.6198 140.28 -114.81 -144.191 PRESSAVG: 2177800 -40.2614 74.3217 -45.5818 74.3216 6.97456 4.56198 -45.5817 4.56192 -2.25425 GPRESSAVG: 2177800 -38.0003 73.5902 -41.5938 71.593 5.39962 4.04708 -48.1186 4.57366 -2.84459 TIMING: 2177800 CPU: 6503.36, 0.00297511/step Wall: 6503.36, 0.00297511/step, 2.33232 hours remaining, 207.027344 MB of memory in use. ENERGY: 2177800 702.5847 2034.0301 1928.0528 106.5285 -205866.6423 17518.9459 0.0000 0.0000 34288.7259 -149287.7744 299.4520 -183576.5003 -149191.8689 298.7888 -120.6690 -87.8726 558507.2213 -11.8470 -11.8151 PRESSURE: 2178000 -145.586 -75.1439 -10.5682 -75.1443 -23.7208 -19.9497 -10.5683 -19.9508 39.301 GPRESSURE: 2178000 -128.266 -50.6866 -48.546 -57.0922 50.2518 28.8924 -5.79908 -45.722 50.6217 PRESSAVG: 2178000 1.11586 2.99517 -62.1754 2.9951 7.58892 -44.814 -62.1753 -44.8141 -23.7187 GPRESSAVG: 2178000 0.426881 4.83059 -64.7939 2.81735 8.47198 -44.998 -61.0803 -46.1162 -24.0189 TIMING: 2178000 CPU: 6503.95, 0.00296077/step Wall: 6503.95, 0.00296077/step, 2.32091 hours remaining, 207.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2178000 744.7818 2126.4787 1898.2904 103.1460 -206107.9341 17801.7317 0.0000 0.0000 34301.9562 -149131.5492 299.5675 -183433.5054 -149038.9281 298.9393 -43.3352 -9.1307 558261.5461 -5.0046 -5.0400 PRESSURE: 2178200 135.449 130.53 -149.056 130.53 144.958 -69.2589 -149.055 -69.2578 173.727 GPRESSURE: 2178200 167.034 87.2091 -119.785 66.6717 188.318 -94.6144 -106.822 -17.0794 203.52 PRESSAVG: 2178200 3.4475 -27.0896 -71.333 -27.0895 -42.8403 -13.7787 -71.333 -13.7786 64.2586 GPRESSAVG: 2178200 2.49938 -28.6429 -71.7508 -25.4046 -42.5193 -12.6909 -68.511 -11.9013 64.4738 TIMING: 2178200 CPU: 6504.54, 0.00296261/step Wall: 6504.54, 0.00296261/step, 2.32219 hours remaining, 207.027344 MB of memory in use. ENERGY: 2178200 742.9439 2097.3343 1939.8512 110.9516 -206358.9927 18110.8437 0.0000 0.0000 34337.4084 -149019.6597 299.8771 -183357.0680 -148924.3125 299.6895 151.3780 186.2906 558132.1394 8.2886 8.1513 PRESSURE: 2178400 95.6692 -206.153 -4.69581 -206.153 -101.208 -33.4454 -4.69646 -33.447 -86.5208 GPRESSURE: 2178400 106.864 -184.687 45.9227 -256.485 -50.7166 -64.0976 -102.932 -28.9444 -48.9943 PRESSAVG: 2178400 -2.36554 -7.22083 -42.4153 -7.22076 -30.4351 -11.5573 -42.4153 -11.5573 57.5101 GPRESSAVG: 2178400 -2.43705 -5.99096 -42.0909 -7.50163 -29.84 -11.8126 -44.998 -11.917 57.2545 TIMING: 2178400 CPU: 6505.14, 0.00300841/step Wall: 6505.14, 0.00300841/step, 2.35792 hours remaining, 207.027344 MB of memory in use. ENERGY: 2178400 756.9891 2093.5009 1929.8694 109.7502 -205758.3850 17716.9485 0.0000 0.0000 34093.9092 -149057.4177 297.7506 -183151.3269 -148961.2049 300.0737 -30.6865 2.3844 558153.2413 8.2365 8.3258 PRESSURE: 2178600 -323.697 -100.598 19.272 -100.597 -253.775 60.4966 19.2726 60.4954 -47.4915 GPRESSURE: 2178600 -235.308 -104.285 -3.77726 12.0227 -267.408 3.34601 9.853 48.2271 -25.5809 PRESSAVG: 2178600 41.3554 34.3067 -11.9904 34.3066 -46.6901 29.633 -11.9904 29.6331 2.25481 GPRESSAVG: 2178600 42.5925 32.5413 -12.0238 34.9027 -49.1771 29.4104 -13.0141 29.6447 3.0472 TIMING: 2178600 CPU: 6505.74, 0.00298976/step Wall: 6505.74, 0.00298976/step, 2.34314 hours remaining, 207.027344 MB of memory in use. ENERGY: 2178600 760.0732 2083.1774 1929.3789 114.4468 -205913.8561 17667.4668 0.0000 0.0000 34247.9801 -149111.3330 299.0961 -183359.3131 -149016.8318 299.2631 -208.3212 -176.0990 560193.7742 -1.0266 -1.1791 PRESSURE: 2178800 89.0831 -154.884 -101.775 -154.883 -20.9224 -1.22556 -101.776 -1.22698 -247.414 GPRESSURE: 2178800 138.677 -184.892 -88.9424 -127.179 22.9845 2.50692 -124.747 41.1979 -244.954 PRESSAVG: 2178800 107.911 -21.8928 1.86976 -21.8929 -128.834 -26.1461 1.8698 -26.1461 19.9308 GPRESSAVG: 2178800 106.764 -22.1988 1.8999 -21.6028 -127.349 -27.4826 1.89991 -26.0856 20.2215 TIMING: 2178800 CPU: 6506.34, 0.00297874/step Wall: 6506.34, 0.00297874/step, 2.33434 hours remaining, 207.027344 MB of memory in use. ENERGY: 2178800 745.3602 2085.6262 1908.0346 111.4967 -205957.3246 17627.6165 0.0000 0.0000 34218.7297 -149260.4607 298.8407 -183479.1904 -149163.6433 299.1164 -59.7512 -27.7640 558035.4078 -0.3310 -0.1209 PRESSURE: 2179000 -108.019 40.5185 -203.743 40.519 -116.498 20.3507 -203.742 20.3533 -385.425 GPRESSURE: 2179000 -110.69 69.7583 -202.185 38.9132 -116.538 49.5133 -127.217 28.5246 -298.422 PRESSAVG: 2179000 -15.5927 -56.4731 -16.4294 -56.4731 8.45646 17.4573 -16.4293 17.4575 -9.90233 GPRESSAVG: 2179000 -14.011 -55.8556 -17.6003 -56.5024 8.86565 20.1739 -14.7829 15.7597 -10.764 TIMING: 2179000 CPU: 6506.93, 0.00298832/step Wall: 6506.93, 0.00298831/step, 2.34168 hours remaining, 207.027344 MB of memory in use. ENERGY: 2179000 751.4087 2058.7718 1905.6634 102.5508 -205922.5775 17447.1186 0.0000 0.0000 34215.7793 -149441.2849 298.8149 -183657.0643 -149337.3892 298.5264 -203.3142 -175.2169 556848.4425 -5.6795 -5.3031 PRESSURE: 2179200 357.299 173.366 28.1227 173.367 -67.474 23.2857 28.1221 23.2859 53.9214 GPRESSURE: 2179200 340.95 191.205 -20.0287 164.522 -12.8869 25.3373 63.7145 55.8635 107.682 PRESSAVG: 2179200 96.9918 42.1096 -6.44313 42.1095 -74.69 77.8279 -6.44314 77.828 -40.5264 GPRESSAVG: 2179200 96.0934 45.279 -5.67535 39.8142 -74.6772 76.1678 -5.42995 78.6159 -39.9043 TIMING: 2179200 CPU: 6507.54, 0.00300908/step Wall: 6507.54, 0.00300908/step, 2.35778 hours remaining, 207.027344 MB of memory in use. ENERGY: 2179200 721.0116 2103.0814 1912.6668 110.8099 -206683.8249 18138.8119 0.0000 0.0000 34302.6988 -149394.7446 299.5740 -183697.4433 -149297.4132 298.6637 114.5822 145.2486 557737.8607 -6.0749 -6.1627 PRESSURE: 2179400 -75.0166 19.1069 77.4961 19.1061 18.824 43.9022 77.4959 43.9034 124.733 GPRESSURE: 2179400 5.11553 12.8405 81.6747 27.7873 102.504 64.9827 179.889 92.6519 70.9919 PRESSAVG: 2179400 57.8186 5.98739 45.3647 5.98731 -48.383 -18.7457 45.3648 -18.7456 23.0865 GPRESSAVG: 2179400 57.6478 1.92717 46.7961 8.2187 -47.1803 -19.7985 44.6379 -17.8654 21.7969 TIMING: 2179400 CPU: 6508.13, 0.00296276/step Wall: 6508.13, 0.00296276/step, 2.32132 hours remaining, 207.027344 MB of memory in use. ENERGY: 2179400 747.1769 2084.1214 1921.9833 108.6618 -206448.4384 18067.1284 0.0000 0.0000 34183.6901 -149335.6764 298.5347 -183519.3665 -149247.0098 298.2958 22.8468 59.5372 558842.7514 10.8407 10.7548 PRESSURE: 2179600 211.807 -72.9026 115.748 -72.9035 -13.5623 0.807744 115.749 0.810413 1.11953 GPRESSURE: 2179600 242.928 -121.144 164.081 -48.7004 28.7426 10.6279 103.42 32.712 31.5454 PRESSAVG: 2179600 19.5648 45.6631 18.8099 45.6631 -11.0569 63.4103 18.8099 63.4102 6.89752 GPRESSAVG: 2179600 19.002 46.4092 19.2303 44.5378 -12.9296 63.7771 17.8771 63.7451 9.1394 TIMING: 2179600 CPU: 6508.73, 0.00298001/step Wall: 6508.73, 0.00298001/step, 2.33467 hours remaining, 207.027344 MB of memory in use. ENERGY: 2179600 704.4771 2082.0114 1906.2430 107.6978 -206150.3930 17846.1624 0.0000 0.0000 34035.2584 -149468.5428 297.2384 -183503.8012 -149364.9184 298.4552 66.4548 101.0718 558096.7157 5.1351 5.0706 PRESSURE: 2179800 -34.4271 -114.377 14.2992 -114.377 -185.886 -80.5926 14.299 -80.593 195.158 GPRESSURE: 2179800 -10.4055 -53.3119 31.0824 -113.594 -141.742 -53.2729 -47.063 -82.8843 220.485 PRESSAVG: 2179800 -18.1841 -5.58725 -32.8437 -5.58725 6.49033 -43.8904 -32.8437 -43.8904 -4.71379 GPRESSAVG: 2179800 -18.3336 -3.97527 -33.7874 -6.96526 8.14386 -43.4154 -33.0447 -44.8485 -5.6695 TIMING: 2179800 CPU: 6509.32, 0.00297982/step Wall: 6509.32, 0.00297982/step, 2.33436 hours remaining, 207.027344 MB of memory in use. ENERGY: 2179800 727.2831 2063.9962 1908.2138 112.3353 -206676.7614 17874.8389 0.0000 0.0000 34381.5956 -149608.4986 300.2630 -183990.0942 -149516.4786 297.9842 -8.3852 22.7793 556788.5445 -5.4692 -5.2864 PRESSURE: 2180000 -12.289 -133.327 17.6739 -133.327 158.65 -25.2926 17.6748 -25.2889 79.1419 GPRESSURE: 2180000 49.8107 -132.288 57.2319 -197.7 144.898 -5.97006 -42.3431 -16.7645 135.867 PRESSAVG: 2180000 10.8741 -17.37 -42.572 -17.3701 -63.7512 4.64102 -42.572 4.6411 39.7848 GPRESSAVG: 2180000 12.548 -17.0879 -41.6979 -14.3933 -65.8744 3.8854 -41.8368 6.59659 39.5475 TIMING: 2180000 CPU: 6509.91, 0.00295979/step Wall: 6509.91, 0.00295979/step, 2.3185 hours remaining, 207.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2180000 720.3521 2088.9809 1936.7359 118.5137 -206593.7858 17943.5570 0.0000 0.0000 34160.8950 -149624.7513 298.3356 -183785.6462 -149523.8365 298.1847 75.1675 110.1918 555689.3531 -4.3641 -4.5930 PRESSURE: 2180200 -122.506 169.91 90.3896 169.909 38.3814 8.10447 90.3887 8.10503 -15.6898 GPRESSURE: 2180200 -163.478 277.128 76.5032 38.301 108.924 89.2188 81.7267 -80.5085 44.6145 PRESSAVG: 2180200 -42.771 0.0176175 32.4881 0.0175044 11.026 -8.9809 32.4882 -8.98087 29.3534 GPRESSAVG: 2180200 -43.972 -2.00777 32.5934 -1.62735 10.9512 -7.1661 33.8389 -10.8609 30.9402 TIMING: 2180200 CPU: 6510.5, 0.00294209/step Wall: 6510.5, 0.00294209/step, 2.30447 hours remaining, 207.027344 MB of memory in use. ENERGY: 2180200 752.0702 2112.5084 1948.5641 115.9668 -206654.6546 17907.9968 0.0000 0.0000 34244.1174 -149573.4309 299.0624 -183817.5483 -149477.7524 298.2409 -33.2714 -3.3133 557182.8941 -0.7972 -0.6935 LDB: ============= START OF LOAD BALANCING ============== 6514.05 LDB: ============== END OF LOAD BALANCING =============== 6514.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6514.05 LDB: ============= START OF LOAD BALANCING ============== 6514.34 LDB: Largest compute 4773 load 0.030734 is 26.0% of average load 0.118215 LDB: Average compute 0.001723 is 1.5% of average load 0.118215 LDB: TIME 6514.35 LOAD: AVG 0.118215 MAX 0.197552 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 6514.35 LOAD: AVG 0.118215 MAX 0.197552 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: TIME 6514.35 LOAD: AVG 0.118215 MAX 0.197552 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6514.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6514.35 PRESSURE: 2180400 42.5457 140.346 0.958051 140.346 5.04406 215.768 0.957505 215.77 -196.943 GPRESSURE: 2180400 96.5972 58.6084 16.8132 275.814 8.08782 132.208 15.6343 181.388 -167.166 PRESSAVG: 2180400 -54.4378 21.5158 -0.225006 21.5158 28.5331 27.4885 -0.22511 27.4886 -7.60955 GPRESSAVG: 2180400 -54.4364 22.9771 -1.93768 23.2042 28.6315 26.681 -0.67074 28.4441 -7.66147 TIMING: 2180400 CPU: 6511.1, 0.0030026/step Wall: 6511.1, 0.0030026/step, 2.3517 hours remaining, 207.226562 MB of memory in use. ENERGY: 2180400 722.4048 2168.7795 1940.8262 105.4480 -206882.7598 17891.8470 0.0000 0.0000 34302.1772 -149751.2770 299.5694 -184053.4543 -149659.3559 297.8354 -49.7845 -20.8269 557285.0026 -11.1714 -11.1555 PRESSURE: 2180600 153.654 -23.758 -101.692 -23.7565 -70.2097 89.4637 -101.692 89.4632 113.605 GPRESSURE: 2180600 171.542 -18.3505 -59.6725 64.1506 3.54822 58.2029 -99.6911 56.8587 126.309 PRESSAVG: 2180600 2.02191 34.3135 -2.21101 34.3137 -42.0642 -17.4573 -2.211 -17.4573 -13.8605 GPRESSAVG: 2180600 2.33269 33.4901 -1.81468 33.7912 -41.4057 -17.7517 -2.1407 -19.0998 -14.5538 TIMING: 2180600 CPU: 6511.69, 0.00294268/step Wall: 6511.69, 0.00294268/step, 2.30461 hours remaining, 207.226562 MB of memory in use. ENERGY: 2180600 765.2008 2092.7801 1956.4201 121.1746 -206998.3024 18094.8266 0.0000 0.0000 34244.8787 -149723.0215 299.0690 -183967.9002 -149639.4213 298.2587 65.6828 100.4663 557517.4158 -17.9676 -17.8756 PRESSURE: 2180800 171.184 74.5535 37.2784 74.5528 -127.282 82.0569 37.2786 82.0567 338.925 GPRESSURE: 2180800 211.432 74.7957 51.6154 119.931 -29.9096 88.2795 -24.7038 63.8455 301.51 PRESSAVG: 2180800 74.2139 -6.87035 26.6901 -6.87038 -61.9375 5.98882 26.6901 5.98876 -0.0768134 GPRESSAVG: 2180800 73.49 -6.70227 27.2021 -6.41729 -61.3695 5.15348 27.3482 6.36702 0.0389499 TIMING: 2180800 CPU: 6512.28, 0.00295857/step Wall: 6512.28, 0.00295857/step, 2.31689 hours remaining, 207.226562 MB of memory in use. ENERGY: 2180800 773.8585 2094.6733 1925.1042 114.1927 -206943.1596 18274.8122 0.0000 0.0000 34118.8986 -149641.6201 297.9688 -183760.5187 -149543.0323 298.1774 127.6092 161.0107 557308.8994 4.0665 4.0531 PRESSURE: 2181000 -111.107 167.11 -25.7696 167.109 -271.787 165.8 -25.7693 165.799 -20.0242 GPRESSURE: 2181000 -70.0722 150.661 41.9303 127.007 -267.01 193.203 -50.0698 139.171 28.5737 PRESSAVG: 2181000 113.08 62.3703 19.1037 62.3702 -87.4271 11.5915 19.1037 11.5915 -12.5713 GPRESSAVG: 2181000 112.608 61.8846 20.3423 60.7357 -87.8272 11.2585 16.9859 11.792 -12.0509 TIMING: 2181000 CPU: 6512.87, 0.00295422/step Wall: 6512.87, 0.00295422/step, 2.31332 hours remaining, 207.226562 MB of memory in use. ENERGY: 2181000 742.3518 2096.6905 1953.2497 110.2808 -206006.1162 17440.2635 0.0000 0.0000 34339.4021 -149323.8777 299.8945 -183663.2798 -149226.6062 298.5539 -134.3062 -102.8362 556970.3194 4.3605 4.2432 PRESSURE: 2181200 276.655 47.7054 -34.5918 47.7059 134.721 -80.791 -34.5929 -80.7917 -68.8051 GPRESSURE: 2181200 327.326 115.937 -62.6078 5.54794 128.073 -104.654 -83.3682 -53.8488 -3.23652 PRESSAVG: 2181200 -13.551 14.0277 -10.5391 14.0278 -0.181924 39.6171 -10.539 39.6171 11.8078 GPRESSAVG: 2181200 -12.5298 14.5637 -11.7633 14.3911 -0.352473 39.2872 -8.44659 40.7953 11.0928 TIMING: 2181200 CPU: 6513.46, 0.00295767/step Wall: 6513.46, 0.00295767/step, 2.31586 hours remaining, 207.226562 MB of memory in use. ENERGY: 2181200 744.7269 2128.3361 1939.5148 126.3484 -206558.8648 18058.3869 0.0000 0.0000 34194.5305 -149367.0212 298.6293 -183561.5517 -149273.5110 298.5368 114.1903 150.7208 557019.4009 -0.6417 -0.5965 PRESSURE: 2181400 -158.484 32.3045 25.3138 32.3043 -1.44342 162.578 25.3136 162.578 85.9171 GPRESSURE: 2181400 -88.325 -26.0377 5.24136 14.5413 12.472 171.628 -18.4523 149.371 99.3273 PRESSAVG: 2181400 5.53157 20.3759 12.2319 20.3759 53.1883 49.3874 12.2318 49.3873 -3.95185 GPRESSAVG: 2181400 5.85216 20.6893 12.385 20.1838 52.4193 51.0668 10.5034 48.2683 -3.83079 TIMING: 2181400 CPU: 6514.06, 0.002957/step Wall: 6514.06, 0.002957/step, 2.31517 hours remaining, 207.226562 MB of memory in use. ENERGY: 2181400 778.7256 2058.7899 1944.0121 102.5429 -206627.2011 18034.3448 0.0000 0.0000 34257.5919 -149451.1939 299.1801 -183708.7858 -149359.8485 299.5147 -24.6703 7.8248 557277.1862 18.2560 18.1469 PRESSURE: 2181600 246.896 58.4655 -60.7508 58.4664 203.09 -66.1265 -60.7511 -66.1257 202.799 GPRESSURE: 2181600 281.038 121.777 -8.99822 27.2193 257.348 -2.07301 -147.972 -5.36399 201.991 PRESSAVG: 2181600 9.92705 -18.8222 2.60653 -18.8222 4.32314 26.4587 2.6065 26.4588 -9.89849 GPRESSAVG: 2181600 9.60303 -19.4355 1.66144 -17.9306 4.26108 27.227 3.31377 26.4492 -9.40119 TIMING: 2181600 CPU: 6514.65, 0.00296165/step Wall: 6514.65, 0.00296165/step, 2.31864 hours remaining, 207.226562 MB of memory in use. ENERGY: 2181600 770.0111 2088.2963 1919.2578 110.4638 -206708.6233 18204.3802 0.0000 0.0000 34170.0809 -149446.1333 298.4158 -183616.2141 -149345.6087 299.0293 217.5952 246.7926 558044.5115 1.4506 1.4876 PRESSURE: 2181800 -229.02 -24.5735 -106.437 -24.5733 27.4598 -42.7178 -106.435 -42.7174 -182.743 GPRESSURE: 2181800 -210.685 10.1751 -91.7832 -40.2192 53.162 -100.451 -74.9616 -7.98157 -143.324 PRESSAVG: 2181800 -28.2236 6.11939 35.9571 6.11927 -4.01399 50.7224 35.9572 50.7225 76.4626 GPRESSAVG: 2181800 -28.7377 5.83762 38.5067 7.66656 -3.90156 51.7486 34.8403 48.9873 76.8008 TIMING: 2181800 CPU: 6515.24, 0.00296932/step Wall: 6515.24, 0.00296932/step, 2.32449 hours remaining, 207.226562 MB of memory in use. ENERGY: 2181800 775.9016 2091.6366 1930.7043 108.2914 -206266.3685 17648.8409 0.0000 0.0000 34131.2108 -149579.7830 298.0764 -183710.9937 -149486.8623 298.3486 -128.1008 -100.2824 557214.9732 14.7417 14.7205 PRESSURE: 2182000 -151.994 132.647 -27.5662 132.647 -307.29 -127.31 -27.5659 -127.307 -2.42808 GPRESSURE: 2182000 -48.38 63.5397 83.7634 125.479 -286.987 -50.5608 -155.574 -75.2256 -24.6775 PRESSAVG: 2182000 51.4902 -20.5069 2.17676 -20.5069 13.2068 11.6231 2.17674 11.6232 -29.5634 GPRESSAVG: 2182000 52.7592 -20.8215 0.430785 -20.8443 12.784 8.70424 3.74019 14.6744 -30.5267 TIMING: 2182000 CPU: 6515.84, 0.00296817/step Wall: 6515.84, 0.00296817/step, 2.32342 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2182000 753.5736 2106.6837 1920.5003 106.8136 -206327.5387 17631.4401 0.0000 0.0000 34238.5199 -149570.0075 299.0135 -183808.5275 -149474.7873 298.8504 -153.9040 -120.0150 557813.9068 11.7112 11.6722 PRESSURE: 2182200 174.375 -16.6366 117.417 -16.6378 -107.253 79.7778 117.417 79.779 5.07982 GPRESSURE: 2182200 159.701 5.91657 126.528 -57.1069 -49.4187 10.6822 120.954 103.639 54.7669 PRESSAVG: 2182200 54.3731 -69.3186 48.2651 -69.3186 -100.245 27.9399 48.2651 27.9399 35.2828 GPRESSAVG: 2182200 51.7083 -69.6252 48.3845 -69.5362 -99.2446 27.8686 48.305 28.0588 36.5749 TIMING: 2182200 CPU: 6516.43, 0.00297687/step Wall: 6516.43, 0.00297687/step, 2.33006 hours remaining, 207.226562 MB of memory in use. ENERGY: 2182200 758.2602 2093.5055 1911.2538 117.4169 -206604.8543 18054.7807 0.0000 0.0000 34051.6323 -149618.0051 297.3814 -183669.6373 -149516.6366 298.3863 24.0676 55.0164 557601.4664 -3.5297 -3.6538 PRESSURE: 2182400 -32.6968 -58.235 10.4381 -58.2327 -7.17366 -172.854 10.4378 -172.853 -110.55 GPRESSURE: 2182400 -9.18124 -5.97067 52.84 15.4202 23.5335 -187.311 37.471 -104.14 -45.2608 PRESSAVG: 2182400 -23.0348 -5.51084 65.3484 -5.51086 -8.03031 -21.8516 65.3484 -21.8515 11.0242 GPRESSAVG: 2182400 -22.1137 -3.76769 65.7024 -6.17762 -8.06611 -21.7267 64.8553 -21.0783 10.9944 TIMING: 2182400 CPU: 6517.03, 0.00298791/step Wall: 6517.03, 0.00298791/step, 2.33853 hours remaining, 207.226562 MB of memory in use. ENERGY: 2182400 763.9634 2135.6238 1910.2981 102.5568 -206641.7307 17766.0582 0.0000 0.0000 34293.4513 -149669.7791 299.4932 -183963.2303 -149567.9841 298.6999 -50.1402 -10.3029 554591.5629 -6.6803 -6.3952 PRESSURE: 2182600 -228.226 12.8961 -17.6762 12.8972 -159.682 74.1378 -17.6763 74.1398 -149.036 GPRESSURE: 2182600 -243.283 -10.8389 83.9318 14.8146 -90.0881 64.2806 -103.078 87.2933 -98.353 PRESSAVG: 2182600 -2.3124 11.2018 95.3485 11.2018 -12.308 -6.82036 95.3485 -6.82029 45.6211 GPRESSAVG: 2182600 -1.8399 9.79912 95.3994 9.81388 -13.2399 -8.41248 93.5637 -8.04959 46.2313 TIMING: 2182600 CPU: 6517.62, 0.00297622/step Wall: 6517.62, 0.00297622/step, 2.32922 hours remaining, 207.226562 MB of memory in use. ENERGY: 2182600 783.6098 2086.0311 1947.3048 120.0044 -206712.4913 17690.1714 0.0000 0.0000 34383.6099 -149701.7599 300.2806 -184085.3699 -149602.3811 298.1211 -178.9810 -143.9079 554986.6996 10.3336 10.3839 PRESSURE: 2182800 -278.051 53.8215 178.03 53.8218 -28.213 -66.998 178.03 -66.9979 46.5028 GPRESSURE: 2182800 -230.712 71.114 116.113 84.1593 -13.207 -66.7729 127.139 -70.2015 85.9768 PRESSAVG: 2182800 46.2755 -9.12603 -2.8487 -9.12596 -56.4166 46.6996 -2.84867 46.6995 73.4479 GPRESSAVG: 2182800 46.8048 -8.51469 -3.78062 -8.07555 -55.9099 48.9251 -0.17777 44.5256 71.9066 TIMING: 2182800 CPU: 6518.22, 0.00297912/step Wall: 6518.22, 0.00297912/step, 2.33132 hours remaining, 207.226562 MB of memory in use. ENERGY: 2182800 790.9560 2094.9248 1918.8949 102.9260 -206154.8790 17505.4866 0.0000 0.0000 33928.4244 -149813.2662 296.3054 -183741.6906 -149717.7712 297.7080 -86.5871 -52.6473 556906.9242 21.1022 20.9338 PRESSURE: 2183000 151.093 213.203 -173.676 213.204 305.831 -22.4353 -173.676 -22.436 272.716 GPRESSURE: 2183000 244.385 192.928 -163.496 193.752 274.803 -15.7641 -102.954 9.10384 304.932 PRESSAVG: 2183000 42.9256 32.2591 33.4638 32.2592 -38.2856 -16.9444 33.4638 -16.9444 -11.2089 GPRESSAVG: 2183000 43.9186 33.0384 35.376 32.8407 -38.7245 -18.3194 31.1675 -15.4985 -11.4362 TIMING: 2183000 CPU: 6518.82, 0.00300522/step Wall: 6518.82, 0.00300522/step, 2.35159 hours remaining, 207.226562 MB of memory in use. ENERGY: 2183000 712.9244 2123.8905 1924.8315 118.9017 -206960.4243 18211.2005 0.0000 0.0000 34172.0353 -149696.6404 298.4329 -183868.6757 -149602.3171 297.4464 243.2132 274.7069 555573.0191 -2.1896 -2.0807 PRESSURE: 2183200 -108.032 -55.4549 -105.742 -55.4555 -238.708 -45.9337 -105.741 -45.9339 -210.689 GPRESSURE: 2183200 -79.8564 -90.7516 -164.728 52.8371 -205.705 -58.665 -111.87 -44.854 -176.424 PRESSAVG: 2183200 9.36178 37.9024 -25.3283 37.9023 -31.0616 -49.9583 -25.3283 -49.9583 50.86 GPRESSAVG: 2183200 7.89121 35.5991 -25.9929 36.2013 -30.6415 -51.3249 -23.9026 -47.9305 52.0297 TIMING: 2183200 CPU: 6519.41, 0.00295657/step Wall: 6519.41, 0.00295657/step, 2.31335 hours remaining, 207.226562 MB of memory in use. ENERGY: 2183200 736.2244 2145.2130 1896.3243 98.1192 -206492.5176 17651.0788 0.0000 0.0000 34216.1106 -149749.4472 298.8178 -183965.5578 -149651.5977 297.8353 -185.8096 -153.9951 557850.7524 9.7201 9.7598 PRESSURE: 2183400 296.398 -205.823 -30.042 -205.823 -109.623 115.129 -30.0418 115.128 113.686 GPRESSURE: 2183400 362.901 -153.673 13.7024 -182.596 -112.533 36.6008 -55.5094 131.506 142.273 PRESSAVG: 2183400 52.382 -45.1622 -82.5281 -45.1621 -28.4525 12.8395 -82.528 12.8393 -8.85371 GPRESSAVG: 2183400 52.9029 -44.0379 -84.3983 -43.1731 -28.3881 14.6718 -83.219 10.2811 -9.28718 TIMING: 2183400 CPU: 6520.01, 0.00297081/step Wall: 6520.01, 0.00297081/step, 2.32433 hours remaining, 207.226562 MB of memory in use. ENERGY: 2183400 698.4958 2172.9828 1916.2232 99.1244 -206558.8629 17928.4639 0.0000 0.0000 34198.3715 -149545.2013 298.6629 -183743.5728 -149446.6517 297.8800 100.1535 130.8803 558147.3406 5.0253 5.0759 PRESSURE: 2183600 65.8875 -28.9078 -159.974 -28.9075 8.26092 -28.3672 -159.974 -28.3685 341.495 GPRESSURE: 2183600 86.6462 -42.5294 -112.086 12.9181 46.3377 -44.645 -171.663 -7.58662 357.055 PRESSAVG: 2183600 49.5787 -27.4235 -50.4409 -27.4235 -64.1283 -7.42599 -50.441 -7.42585 24.6678 GPRESSAVG: 2183600 48.9982 -26.5172 -47.6854 -29.2217 -63.6584 -6.72033 -53.3843 -7.18729 24.407 TIMING: 2183600 CPU: 6520.59, 0.00293842/step Wall: 6520.59, 0.00293842/step, 2.29882 hours remaining, 207.226562 MB of memory in use. ENERGY: 2183600 745.3039 2054.6928 1904.9438 117.1866 -206474.6059 17857.1355 0.0000 0.0000 34073.6701 -149721.6732 297.5738 -183795.3433 -149623.6125 298.5193 138.5477 163.3463 555928.7366 3.3727 3.2489 PRESSURE: 2183800 19.4199 52.0043 -73.1636 52.0042 -289.498 -102.821 -73.1638 -102.821 77.6892 GPRESSURE: 2183800 79.9102 55.1159 -128.069 36.3117 -304.919 -30.096 -105.747 -104.492 135.961 PRESSAVG: 2183800 12.0961 40.7464 -14.5738 40.7464 -9.2772 -6.67592 -14.5738 -6.67588 22.6095 GPRESSAVG: 2183800 12.0772 38.8066 -16.2442 39.5187 -10.0304 -6.73735 -10.7305 -6.05684 22.814 TIMING: 2183800 CPU: 6521.18, 0.00294901/step Wall: 6521.18, 0.00294901/step, 2.30695 hours remaining, 207.332031 MB of memory in use. ENERGY: 2183800 726.5036 2026.9054 1907.4524 108.3533 -206226.9114 17817.1084 0.0000 0.0000 33915.0824 -149725.5058 296.1888 -183640.5882 -149625.6629 298.2654 -64.1295 -29.6825 558320.4410 8.4761 8.2870 PRESSURE: 2184000 135.528 155.706 22.6003 155.705 -306.99 54.8608 22.6001 54.8598 88.4104 GPRESSURE: 2184000 147.954 112.631 -116.759 112.263 -241.729 -49.5495 78.6345 71.0695 95.6346 PRESSAVG: 2184000 41.9937 18.9536 -22.6017 18.9535 -57.6927 -4.77776 -22.6018 -4.77768 1.36251 GPRESSAVG: 2184000 41.5343 18.6523 -22.6329 20.6866 -57.0683 -5.48626 -23.9822 -4.85772 0.841003 TIMING: 2184000 CPU: 6521.77, 0.00293786/step Wall: 6521.77, 0.00293786/step, 2.29806 hours remaining, 207.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2184000 768.9971 2094.4269 1924.5644 102.2871 -206811.4637 17914.6149 0.0000 0.0000 34308.6365 -149697.9368 299.6259 -184006.5733 -149602.6765 297.5492 -27.6841 0.6200 558208.8817 -4.7788 -4.8976 PRESSURE: 2184200 -112.043 20.7402 17.2563 20.7415 -123.676 -45.6788 17.2573 -45.6792 -357.402 GPRESSURE: 2184200 -46.0585 -81.1103 29.4473 -13.1065 -148.056 -69.6592 107.616 29.8177 -311.97 PRESSAVG: 2184200 10.8283 45.0459 14.1936 45.0457 5.82923 16.4059 14.1937 16.4059 -0.983248 GPRESSAVG: 2184200 11.8405 46.6818 15.7198 44.0805 4.91742 16.2706 12.8218 16.4828 -1.26966 TIMING: 2184200 CPU: 6522.36, 0.0029359/step Wall: 6522.36, 0.0029359/step, 2.29636 hours remaining, 207.332031 MB of memory in use. ENERGY: 2184200 722.0673 2088.8995 1921.0952 108.3133 -206156.9268 17355.6450 0.0000 0.0000 34272.5716 -149688.3350 299.3109 -183960.9065 -149595.8535 298.5149 -197.7071 -168.6951 556420.2491 5.2248 5.1628 LDB: ============= START OF LOAD BALANCING ============== 6525.9 LDB: ============== END OF LOAD BALANCING =============== 6525.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6525.91 LDB: ============= START OF LOAD BALANCING ============== 6526.2 LDB: Largest compute 4773 load 0.031329 is 26.5% of average load 0.118284 LDB: Average compute 0.001724 is 1.5% of average load 0.118284 LDB: TIME 6526.2 LOAD: AVG 0.118284 MAX 0.200553 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 6526.2 LOAD: AVG 0.118284 MAX 0.200553 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: TIME 6526.2 LOAD: AVG 0.118284 MAX 0.200553 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6526.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6526.21 PRESSURE: 2184400 -13.4587 40.1351 -158.439 40.135 -96.3068 -5.53492 -158.439 -5.53394 -368.97 GPRESSURE: 2184400 12.1557 59.2888 -154.398 57.7853 -48.6046 10.0597 -197.097 -2.95413 -343.536 PRESSAVG: 2184400 47.0947 18.9934 -38.6783 18.9933 21.5138 -3.80261 -38.6782 -3.80253 -44.2585 GPRESSAVG: 2184400 45.8225 19.4347 -39.9883 18.7638 22.1332 -1.99731 -37.4992 -3.8413 -43.4938 TIMING: 2184400 CPU: 6522.96, 0.00300606/step Wall: 6522.96, 0.00300606/step, 2.35108 hours remaining, 207.484375 MB of memory in use. ENERGY: 2184400 737.8818 2070.1866 1941.2461 114.9339 -206629.1933 17729.0726 0.0000 0.0000 34439.1637 -149596.7086 300.7658 -184035.8723 -149506.0836 298.6864 -159.5784 -126.6615 558079.5020 8.1166 8.1540 PRESSURE: 2184600 -69.6787 -25.2698 -142.665 -25.269 -156.696 -73.5086 -142.666 -73.507 -65.6891 GPRESSURE: 2184600 -57.7036 -63.0638 -100.696 -41.4385 -124.207 -61.0075 -106.732 -63.9965 -23.72 PRESSAVG: 2184600 -10.663 20.4664 -66.8997 20.4664 30.3761 7.74432 -66.8997 7.74437 -22.8544 GPRESSAVG: 2184600 -10.1263 19.9771 -67.8768 21.2134 30.771 6.87667 -65.7672 8.2794 -23.3803 TIMING: 2184600 CPU: 6523.56, 0.00298584/step Wall: 6523.56, 0.00298584/step, 2.33509 hours remaining, 207.554688 MB of memory in use. ENERGY: 2184600 763.3017 2107.2025 1904.2990 102.1486 -206252.0681 17652.4352 0.0000 0.0000 34293.3332 -149429.3481 299.4922 -183722.6813 -149336.9168 299.2799 -97.3546 -68.5435 557156.2307 -1.0471 -0.9119 PRESSURE: 2184800 -0.971201 -14.9963 -52.921 -14.9949 -246.405 -79.1164 -52.9198 -79.1177 -183.534 GPRESSURE: 2184800 29.1645 41.1241 -31.7961 -81.9834 -216.607 -43.2069 -88.8312 -75.3321 -127.11 PRESSAVG: 2184800 1.11164 -38.9164 -20.8464 -38.9163 -58.7995 -5.71673 -20.8463 -5.71674 3.45652 GPRESSAVG: 2184800 0.842084 -39.2816 -20.1895 -37.6493 -58.7293 -6.45052 -21.2775 -7.5908 3.88232 TIMING: 2184800 CPU: 6524.15, 0.00298134/step Wall: 6524.15, 0.00298134/step, 2.33141 hours remaining, 207.554688 MB of memory in use. ENERGY: 2184800 754.9121 2056.8068 1912.8395 99.4983 -206124.1619 17731.8830 0.0000 0.0000 34150.3828 -149417.8394 298.2438 -183568.2222 -149329.3750 298.8691 -143.6368 -104.8511 558361.8330 -18.0771 -18.0016 PRESSURE: 2185000 169.667 94.0089 -7.75338 94.008 -118.864 -42.8501 -7.75348 -42.8512 52.5023 GPRESSURE: 2185000 227.081 -60.2797 -51.527 158.123 -78.1208 -98.7161 7.91412 -74.5296 42.8626 PRESSAVG: 2185000 -18.3626 -6.59993 -14.5785 -6.59995 10.4615 -13.8345 -14.5784 -13.8346 -28.1513 GPRESSAVG: 2185000 -17.3598 -5.32373 -15.6678 -8.87563 9.00805 -12.7529 -14.5116 -11.9896 -28.2781 TIMING: 2185000 CPU: 6524.75, 0.0029628/step Wall: 6524.75, 0.0029628/step, 2.31675 hours remaining, 207.753906 MB of memory in use. ENERGY: 2185000 737.4783 2084.6838 1900.7261 90.2001 -206166.1405 17672.1216 0.0000 0.0000 34280.1031 -149400.8274 299.3767 -183680.9305 -149310.1636 298.9456 34.4351 63.9409 556602.0509 -12.0175 -12.2099 PRESSURE: 2185200 2.39006 55.1742 -25.0919 55.1756 -63.3639 -55.3223 -25.0929 -55.3227 -17.9235 GPRESSURE: 2185200 24.5522 108.34 -35.928 -12.2922 -21.8719 -56.6888 -53.2759 -66.1673 16.3511 PRESSAVG: 2185200 30.9702 -20.3422 -16.0131 -20.3422 -50.8996 -27.5672 -16.0131 -27.5671 43.9633 GPRESSAVG: 2185200 30.7705 -21.8801 -14.9642 -19.7528 -50.9298 -26.2115 -16.7818 -28.6191 44.247 TIMING: 2185200 CPU: 6525.33, 0.00294594/step Wall: 6525.33, 0.00294594/step, 2.3034 hours remaining, 207.753906 MB of memory in use. ENERGY: 2185200 745.5051 2073.1213 1907.9227 97.5832 -206253.2896 17716.6672 0.0000 0.0000 34435.8058 -149276.6842 300.7365 -183712.4901 -149181.1251 299.1976 -26.2991 6.3438 557733.2958 8.0113 8.0292 PRESSURE: 2185400 -245.621 -7.873 -23.2173 -7.87255 -75.1138 24.6178 -23.2193 24.619 159.433 GPRESSURE: 2185400 -145.983 -106.791 8.17697 40.9368 -84.5806 -55.5091 -125.086 33.0072 167.269 PRESSAVG: 2185400 6.28275 -21.6324 -15.0286 -21.6324 24.1315 -32.7786 -15.0287 -32.7785 10.095 GPRESSAVG: 2185400 4.94387 -22.09 -16.1292 -20.2839 25.0548 -34.7986 -12.7197 -32.0031 10.6616 TIMING: 2185400 CPU: 6525.93, 0.00295672/step Wall: 6525.93, 0.00295672/step, 2.31166 hours remaining, 207.753906 MB of memory in use. ENERGY: 2185400 749.0931 2061.9599 1907.5716 126.5178 -206467.0399 17962.9885 0.0000 0.0000 34401.9606 -149256.9483 300.4409 -183658.9088 -149161.3278 299.5399 -53.7673 -21.0984 558005.4717 13.5031 13.5535 PRESSURE: 2185600 -97.3936 109.314 53.4294 109.314 -127.413 78.113 53.4296 78.1131 163.421 GPRESSURE: 2185600 -64.2277 77.6156 80.1948 195.206 -101.659 -15.9355 74.1376 85.026 197.715 PRESSAVG: 2185600 19.9605 -21.9793 -30.7428 -21.9792 16.6478 -80.7302 -30.7428 -80.7301 -25.053 GPRESSAVG: 2185600 21.2428 -21.7676 -29.1904 -21.3081 16.2058 -81.3954 -32.0839 -78.4199 -25.7996 TIMING: 2185600 CPU: 6526.52, 0.00297053/step Wall: 6526.52, 0.00297053/step, 2.32229 hours remaining, 207.753906 MB of memory in use. ENERGY: 2185600 748.3070 2109.2064 1934.1180 109.0045 -206398.2938 18017.6909 0.0000 0.0000 34225.2703 -149254.6968 298.8978 -183479.9670 -149160.0111 299.4875 -20.4621 10.6095 558377.0892 3.8518 3.8830 PRESSURE: 2185800 185.27 -39.4606 -91.4927 -39.4623 -123.025 79.4799 -91.4929 79.4791 -185.572 GPRESSURE: 2185800 124.936 9.78066 -94.6934 -46.488 -23.7418 37.7562 -120.194 27.5674 -132.318 PRESSAVG: 2185800 2.33226 13.5921 31.5479 13.592 38.5721 -33.9804 31.5479 -33.9804 -23.1966 GPRESSAVG: 2185800 2.8646 14.1392 32.0996 11.432 39.0369 -32.436 32.39 -37.0532 -24.6182 TIMING: 2185800 CPU: 6527.11, 0.00295363/step Wall: 6527.11, 0.00295362/step, 2.30891 hours remaining, 207.753906 MB of memory in use. ENERGY: 2185800 735.1151 2148.8908 1925.1271 106.0229 -206411.0274 17884.9819 0.0000 0.0000 34355.9650 -149254.9246 300.0392 -183610.8896 -149163.7327 299.2364 -41.1090 -10.3744 558375.2118 5.9026 5.7611 PRESSURE: 2186000 -206.82 36.5842 -208.752 36.5846 -245.987 -73.1606 -208.753 -73.1615 -122.986 GPRESSURE: 2186000 -136.983 52.709 -155.068 53.2275 -223.256 -91.8711 -253.204 -38.7243 -111.632 PRESSAVG: 2186000 -14.0412 62.3502 -48.0526 62.3502 109.569 -20.3762 -48.0526 -20.3762 -79.3802 GPRESSAVG: 2186000 -14.3268 63.047 -48.3309 64.29 109.515 -20.4955 -47.8516 -18.4744 -79.5459 TIMING: 2186000 CPU: 6527.7, 0.00295637/step Wall: 6527.7, 0.00295637/step, 2.31089 hours remaining, 207.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2186000 767.7143 2020.0791 1940.4340 119.9103 -205833.5935 17606.5096 0.0000 0.0000 34351.3753 -149027.5708 299.9991 -183378.9461 -148927.1133 300.0204 -191.9308 -157.2904 559955.4247 5.3824 5.2140 PRESSURE: 2186200 -231.47 53.8253 49.2221 53.8248 27.8648 67.4386 49.2232 67.4402 -15.4116 GPRESSURE: 2186200 -155.815 88.3674 50.5898 37.5101 20.6813 13.9991 124.094 96.0711 8.00931 PRESSAVG: 2186200 13.2271 3.11558 -11.4506 3.11558 -41.847 3.03554 -11.4507 3.0356 13.0917 GPRESSAVG: 2186200 13.8217 0.85452 -9.50819 3.17093 -42.4375 1.79421 -10.9801 2.1751 12.4579 TIMING: 2186200 CPU: 6528.3, 0.00297868/step Wall: 6528.3, 0.00297868/step, 2.32817 hours remaining, 207.753906 MB of memory in use. ENERGY: 2186200 755.1988 2056.3043 1960.8111 105.5127 -206351.9595 17870.9638 0.0000 0.0000 34345.2246 -149257.9442 299.9454 -183603.1688 -149162.6213 299.1337 -73.0055 -42.3747 557821.0457 -5.1760 -5.3860 PRESSURE: 2186400 -187.595 191.809 -32.6728 191.809 -95.0728 2.6002 -32.6727 2.60196 -60.6537 GPRESSURE: 2186400 -164.946 157.855 -93.2374 104.299 -60.3109 -38.7708 -29.7267 41.0908 -16.8106 PRESSAVG: 2186400 2.35368 41.3168 50.4704 41.3168 68.9305 26.2952 50.4703 26.2953 -38.6223 GPRESSAVG: 2186400 1.9536 43.5074 48.7036 38.428 69.5224 25.8217 50.8453 28.6764 -38.579 TIMING: 2186400 CPU: 6528.89, 0.00293814/step Wall: 6528.89, 0.00293814/step, 2.29632 hours remaining, 207.753906 MB of memory in use. ENERGY: 2186400 718.4981 2064.3955 1960.3908 120.8593 -205644.7597 17431.2015 0.0000 0.0000 34155.8241 -149193.5905 298.2913 -183349.4146 -149093.5418 299.2098 -114.4404 -80.6891 556974.5203 10.8873 10.9656 PRESSURE: 2186600 -333.664 -106.511 -152.917 -106.51 -40.6495 163.404 -152.917 163.404 -15.4676 GPRESSURE: 2186600 -260.537 -143.681 -137.285 -126.415 -40.322 126.277 -221.328 200.935 10.9662 PRESSAVG: 2186600 1.64489 -19.8319 -70.9204 -19.8319 3.2569 20.088 -70.9204 20.0881 33.4975 GPRESSAVG: 2186600 1.52144 -21.4916 -70.6483 -19.6514 2.94078 21.3185 -71.2507 18.2432 33.7546 TIMING: 2186600 CPU: 6529.48, 0.00295585/step Wall: 6529.48, 0.00295585/step, 2.31 hours remaining, 207.753906 MB of memory in use. ENERGY: 2186600 732.9570 2104.4606 1956.4489 129.5422 -206202.9667 17678.6761 0.0000 0.0000 34216.4402 -149384.4416 298.8207 -183600.8818 -149297.1594 298.7364 -129.9271 -96.6308 557672.6576 12.7998 12.7389 PRESSURE: 2186800 141.059 4.59974 64.8209 4.59993 157.556 117.992 64.8211 117.992 -6.9474 GPRESSURE: 2186800 194.008 17.6065 81.8629 17.9872 150.166 113.749 38.7036 51.6345 47.7819 PRESSAVG: 2186800 -13.1988 26.6453 18.4545 26.6453 34.4515 42.4003 18.4546 42.4002 4.42906 GPRESSAVG: 2186800 -13.8726 28.7801 19.0508 27.2868 34.9543 41.8862 17.3798 43.0911 4.16721 TIMING: 2186800 CPU: 6530.06, 0.00293619/step Wall: 6530.06, 0.00293619/step, 2.29447 hours remaining, 207.753906 MB of memory in use. ENERGY: 2186800 733.6449 2123.1975 1929.1593 119.1043 -206522.3287 17911.7929 0.0000 0.0000 34424.8245 -149280.6053 300.6406 -183705.4299 -149182.1731 298.4566 97.2226 130.6522 557376.2892 8.5606 8.4163 PRESSURE: 2187000 -9.85309 -190.547 100.729 -190.547 -46.7986 -38.1641 100.729 -38.1642 45.9696 GPRESSURE: 2187000 46.3681 -187.938 91.7991 -87.8731 -29.0046 -39.9642 80.3403 -91.2586 64.7005 PRESSAVG: 2187000 0.164554 -44.5418 65.6641 -44.542 30.8105 -28.4554 65.6641 -28.4555 11.635 GPRESSAVG: 2187000 0.183586 -47.6915 65.7966 -43.4404 30.035 -29.7607 64.8718 -28.6583 12.4383 TIMING: 2187000 CPU: 6530.65, 0.0029365/step Wall: 6530.65, 0.0029365/step, 2.29455 hours remaining, 207.753906 MB of memory in use. ENERGY: 2187000 788.6499 2058.6999 1945.7647 109.6627 -206221.8006 17845.7410 0.0000 0.0000 34072.6757 -149400.6067 297.5652 -183473.2823 -149313.1359 298.5500 -3.5607 27.3547 557084.3957 14.2034 14.2190 PRESSURE: 2187200 -77.6288 -21.5149 123.501 -21.5156 -51.8962 -130.984 123.5 -130.982 -38.954 GPRESSURE: 2187200 -66.1429 -106.195 129.047 -37.9694 -1.70262 -126.379 110.072 -131.776 -9.83778 PRESSAVG: 2187200 -2.77956 -54.9638 -12.5589 -54.9638 -11.049 -10.5753 -12.5588 -10.5752 34.1656 GPRESSAVG: 2187200 -3.79917 -55.2684 -14.5452 -53.3722 -9.44894 -9.018 -9.84064 -9.83622 34.038 TIMING: 2187200 CPU: 6531.25, 0.00297986/step Wall: 6531.25, 0.00297986/step, 2.32827 hours remaining, 207.753906 MB of memory in use. ENERGY: 2187200 743.6258 2092.6068 1921.7138 116.9456 -206565.4257 17902.6508 0.0000 0.0000 34073.2930 -149714.5898 297.5705 -183787.8828 -149613.4106 298.2640 -56.1597 -25.8944 558056.0475 6.7790 6.9300 PRESSURE: 2187400 -156.125 -136.999 164.368 -137 -106.838 33.9093 164.368 33.9105 -130.414 GPRESSURE: 2187400 -86.2702 -124.423 190.97 -163.959 -65.3561 -52.8808 104.637 150.312 -147.081 PRESSAVG: 2187400 -17.5033 -40.354 14.1024 -40.3541 -11.0923 -37.075 14.1025 -37.0751 26.8593 GPRESSAVG: 2187400 -15.3094 -37.6097 14.4919 -44.2235 -13.1658 -36.4299 13.3001 -37.9116 26.3842 TIMING: 2187400 CPU: 6531.84, 0.00295768/step Wall: 6531.84, 0.00295768/step, 2.31077 hours remaining, 207.753906 MB of memory in use. ENERGY: 2187400 729.6672 2098.4083 1940.2262 107.7800 -206308.5370 17591.8867 0.0000 0.0000 34178.0573 -149662.5114 298.4855 -183840.5686 -149565.2897 298.3687 -131.1257 -99.5692 558235.5571 -0.5788 -0.6970 PRESSURE: 2187600 -252.16 66.228 129.696 66.2287 -386.355 -207.496 129.698 -207.494 -182.298 GPRESSURE: 2187600 -251.055 99.6249 44.168 -24.5441 -365.469 -233.073 154.305 -36.7045 -92.1642 PRESSAVG: 2187600 -17.2107 8.11352 31.7686 8.11341 29.7625 6.45857 31.7685 6.4587 6.91463 GPRESSAVG: 2187600 -18.4864 6.41414 32.3507 10.9545 31.0714 6.22617 30.7583 5.59432 7.16834 TIMING: 2187600 CPU: 6532.43, 0.00296191/step Wall: 6532.43, 0.00296191/step, 2.31391 hours remaining, 207.753906 MB of memory in use. ENERGY: 2187600 740.7140 2149.1294 1942.5489 109.7680 -206037.4540 17486.9219 0.0000 0.0000 34023.2430 -149585.1288 297.1334 -183608.3718 -149490.8677 298.4046 -273.6045 -236.2294 557806.5446 6.4888 6.5845 PRESSURE: 2187800 17.8052 -49.4251 -116.095 -49.4251 -60.9919 44.9626 -116.095 44.9624 -50.4539 GPRESSURE: 2187800 51.4214 -90.6599 -97.23 16.306 -23.0974 103.183 -72.9431 4.50719 -28.7247 PRESSAVG: 2187800 58.888 -65.6833 -14.8459 -65.6834 -36.393 67.3993 -14.8459 67.3993 -32.7671 GPRESSAVG: 2187800 59.2602 -64.3942 -15.1716 -66.6111 -36.9467 68.8944 -13.1441 69.1746 -32.5908 TIMING: 2187800 CPU: 6533.02, 0.00293419/step Wall: 6533.02, 0.00293419/step, 2.29209 hours remaining, 207.753906 MB of memory in use. ENERGY: 2187800 779.4965 2026.5982 1966.4723 111.4297 -206367.6011 17800.2911 0.0000 0.0000 34227.3971 -149455.9162 298.9164 -183683.3132 -149364.8422 297.8446 -31.2135 -0.1336 556608.0762 -3.4240 -3.4258 PRESSURE: 2188000 -43.9474 -23.8966 69.4296 -23.8957 129.636 -77.1434 69.4284 -77.1444 217.211 GPRESSURE: 2188000 -61.1349 -85.791 118.334 60.3297 183.187 -77.2171 38.6562 -67.1366 270.809 PRESSAVG: 2188000 35.0281 18.3148 37.3512 18.3148 24.3976 -28.8705 37.3511 -28.8704 -51.3462 GPRESSAVG: 2188000 33.9759 16.6213 37.7894 18.2703 24.7759 -29.8305 37.2827 -30.36 -50.0861 TIMING: 2188000 CPU: 6533.61, 0.00293807/step Wall: 6533.61, 0.00293807/step, 2.29496 hours remaining, 207.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2188000 709.0434 2063.6533 1947.4275 109.9021 -206376.5447 17847.3227 0.0000 0.0000 34287.9828 -149411.2129 299.4455 -183699.1957 -149314.0839 298.5409 100.9665 130.9538 557939.5609 2.6931 2.8886 PRESSURE: 2188200 -46.262 3.91389 -14.7526 3.91402 -61.8134 -55.3272 -14.753 -55.3278 -160.808 GPRESSURE: 2188200 -51.6412 -68.2242 -61.349 71.0068 -25.5858 -120.338 -33.3156 -65.4869 -96.6375 PRESSAVG: 2188200 -6.71757 -6.94558 67.487 -6.94562 -6.45681 -10.4729 67.487 -10.473 13.6393 GPRESSAVG: 2188200 -7.65904 -7.06762 66.9743 -5.35555 -6.16759 -10.8968 64.8569 -11.9615 13.043 TIMING: 2188200 CPU: 6534.2, 0.00294629/step Wall: 6534.2, 0.00294629/step, 2.30122 hours remaining, 207.753906 MB of memory in use. ENERGY: 2188200 725.1046 2127.1205 1935.7372 118.2988 -206213.3677 17652.6844 0.0000 0.0000 34153.3948 -149501.0274 298.2701 -183654.4222 -149404.8440 298.7010 -89.6279 -57.9548 558297.2324 0.1550 -0.2612 LDB: ============= START OF LOAD BALANCING ============== 6537.74 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6537.74 LDB: =============== DONE WITH MIGRATION ================ 6537.74 LDB: ============= START OF LOAD BALANCING ============== 6538.04 LDB: Largest compute 4773 load 0.031149 is 26.3% of average load 0.118274 LDB: Average compute 0.001714 is 1.4% of average load 0.118274 LDB: TIME 6538.04 LOAD: AVG 0.118274 MAX 0.197999 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 6538.04 LOAD: AVG 0.118274 MAX 0.197999 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.918 MB LDB: TIME 6538.04 LOAD: AVG 0.118274 MAX 0.197999 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.918 MB LDB: ============== END OF LOAD BALANCING =============== 6538.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6538.05 PRESSURE: 2188400 134.745 17.4369 117.199 17.4356 50.8104 -33.9718 117.198 -33.9726 9.47921 GPRESSURE: 2188400 162.407 31.3189 148.992 18.1521 93.2809 -102.976 60.5392 -32.4734 27.3674 PRESSAVG: 2188400 41.2297 27.2414 42.5861 27.2414 -15.1637 -29.6163 42.5861 -29.6163 -1.32418 GPRESSAVG: 2188400 42.2298 27.5728 43.8495 27.6747 -16.3017 -31.0585 43.2996 -26.8458 -1.08705 TIMING: 2188400 CPU: 6534.8, 0.00300696/step Wall: 6534.8, 0.00300696/step, 2.34844 hours remaining, 207.226562 MB of memory in use. ENERGY: 2188400 773.9571 1998.4104 1912.6358 113.5726 -206793.9699 18100.0114 0.0000 0.0000 34231.3894 -149663.9933 298.9512 -183895.3827 -149562.5341 298.9549 65.0114 94.3517 558718.6815 8.2473 8.2804 PRESSURE: 2188600 -263.267 88.7045 41.6979 88.7037 -115.198 -71.3703 41.6979 -71.3695 77.0306 GPRESSURE: 2188600 -238.534 132.901 70.0139 103.662 -53.2283 -67.6941 -45.3699 -137.987 91.5939 PRESSAVG: 2188600 11.6727 -23.2795 32.4142 -23.2795 -3.77916 -0.261003 32.4141 -0.261066 -20.3133 GPRESSAVG: 2188600 11.6662 -23.8436 32.5728 -24.9224 -2.4725 2.48805 33.4247 -4.35065 -21.1732 TIMING: 2188600 CPU: 6535.39, 0.00294714/step Wall: 6535.39, 0.00294714/step, 2.30155 hours remaining, 207.429688 MB of memory in use. ENERGY: 2188600 733.7278 2078.9970 1929.9625 120.2696 -206631.6135 17788.6316 0.0000 0.0000 34210.1683 -149769.8566 298.7659 -183980.0249 -149669.4342 298.1848 -100.4780 -66.7227 557118.5712 -4.1399 -3.9932 PRESSURE: 2188800 89.5916 50.448 -200.867 50.4478 181.089 137.333 -200.867 137.335 -296.84 GPRESSURE: 2188800 110.18 145.07 -219.58 66.865 232.203 77.7081 -134.198 238.194 -266.897 PRESSAVG: 2188800 44.2115 14.8253 -12.2968 14.8253 -18.6167 -4.94231 -12.2968 -4.94238 4.02811 GPRESSAVG: 2188800 43.0093 16.3889 -12.0288 13.526 -19.4604 -7.21979 -13.6365 -0.383111 6.03534 TIMING: 2188800 CPU: 6535.97, 0.00294295/step Wall: 6535.97, 0.00294295/step, 2.29812 hours remaining, 207.429688 MB of memory in use. ENERGY: 2188800 745.7320 2093.6207 1930.3414 109.7126 -206485.8759 17762.5064 0.0000 0.0000 34069.9362 -149774.0267 297.5412 -183843.9629 -149674.4129 298.8355 -8.7197 25.1621 556003.0720 9.8743 9.8614 PRESSURE: 2189000 -25.4766 -137.746 -67.8581 -137.745 -45.6768 154.239 -67.8572 154.238 -214.927 GPRESSURE: 2189000 -4.21798 -76.7058 -93.3929 -97.8516 -60.2136 88.3596 -45.7711 192.537 -147.135 PRESSAVG: 2189000 26.1359 -4.11628 -25.6587 -4.11633 24.2377 31.6774 -25.6587 31.6774 -2.13544 GPRESSAVG: 2189000 27.878 -6.53675 -26.9121 -2.01019 24.7249 33.6385 -25.216 29.4895 -4.43262 TIMING: 2189000 CPU: 6536.57, 0.00296024/step Wall: 6536.57, 0.00296024/step, 2.31145 hours remaining, 207.429688 MB of memory in use. ENERGY: 2189000 747.4723 2151.6985 1930.2251 110.3205 -206591.4117 17699.8061 0.0000 0.0000 33983.3127 -149968.5764 296.7847 -183951.8890 -149875.4874 297.8240 -95.3600 -70.5221 556005.6689 16.0794 16.0568 PRESSURE: 2189200 -14.04 20.3662 -6.56144 20.3668 60.8281 -111.967 -6.56149 -111.966 33.289 GPRESSURE: 2189200 1.94566 -53.3244 6.54964 -2.45991 123.047 -72.792 -66.3192 -99.4302 68.3255 PRESSAVG: 2189200 15.0986 -19.611 -40.7139 -19.611 36.43 16.8266 -40.7138 16.8265 -58.1085 GPRESSAVG: 2189200 14.3385 -18.9613 -39.289 -19.1045 36.5688 15.0538 -41.5598 16.9804 -57.8238 TIMING: 2189200 CPU: 6537.16, 0.00296171/step Wall: 6537.16, 0.00296171/step, 2.31244 hours remaining, 207.429688 MB of memory in use. ENERGY: 2189200 749.1506 1990.0836 1911.3730 111.4023 -206723.7113 18100.8942 0.0000 0.0000 34054.7549 -149806.0526 297.4086 -183860.8075 -149705.7263 297.4047 26.6924 64.4395 556325.7606 -2.1933 -2.3055 PRESSURE: 2189400 -52.3497 -87.293 6.75245 -87.2921 43.1904 132.802 6.75319 132.802 -178.429 GPRESSURE: 2189400 -31.6538 -11.6601 20.1348 -167.188 78.2003 90.7106 -62.78 158.36 -129.343 PRESSAVG: 2189400 -13.3543 -37.9933 -0.757781 -37.9934 14.4381 4.95354 -0.757721 4.95363 15.4895 GPRESSAVG: 2189400 -13.4498 -38.2568 -1.52965 -39.4708 13.5262 6.32968 -0.948312 5.65403 15.8193 TIMING: 2189400 CPU: 6537.75, 0.00297994/step Wall: 6537.75, 0.00297994/step, 2.32651 hours remaining, 207.429688 MB of memory in use. ENERGY: 2189400 735.0321 2072.2114 1955.2711 102.2436 -206546.4715 17861.7557 0.0000 0.0000 34022.6241 -149797.3335 297.1280 -183819.9576 -149700.8406 297.4191 -62.5294 -27.5989 557543.6979 5.5244 5.2985 PRESSURE: 2189600 197.891 115.895 171.227 115.896 199.497 -17.0348 171.228 -17.0361 -58.3467 GPRESSURE: 2189600 220.342 129.293 288.543 49.9317 194.323 -45.6228 80.0697 -12.7252 8.96289 PRESSAVG: 2189600 -18.1325 50.1833 -21.8682 50.1833 50.5243 -68.208 -21.8682 -68.208 -27.651 GPRESSAVG: 2189600 -17.8741 51.6596 -23.2079 48.155 49.9762 -68.6591 -20.3776 -67.3005 -27.071 TIMING: 2189600 CPU: 6538.35, 0.00298036/step Wall: 6538.35, 0.00298036/step, 2.32667 hours remaining, 207.429688 MB of memory in use. ENERGY: 2189600 762.3318 2060.1198 1929.2987 99.5125 -207034.1854 18017.7076 0.0000 0.0000 34088.1649 -150077.0501 297.7004 -184165.2150 -149981.0848 297.5306 113.0139 141.2094 555408.4546 1.5803 1.6770 PRESSURE: 2189800 65.4826 -81.0166 -75.2718 -81.0167 -70.1447 -47.4318 -75.272 -47.4313 -45.8791 GPRESSURE: 2189800 86.1163 -89.059 -102.376 -104.581 -22.4852 -117.949 -135.617 4.56649 -16.2443 PRESSAVG: 2189800 71.3113 -2.97505 1.05541 -2.97501 -86.5762 30.1268 1.0554 30.1267 22.2012 GPRESSAVG: 2189800 71.1409 -4.23382 3.39213 -0.152509 -86.3051 29.8554 -0.770043 30.8068 22.2976 TIMING: 2189800 CPU: 6538.95, 0.00299619/step Wall: 6538.95, 0.00299619/step, 2.33886 hours remaining, 207.429688 MB of memory in use. ENERGY: 2189800 709.1730 2012.5462 1937.4899 106.8884 -206433.5226 17807.2225 0.0000 0.0000 33856.8213 -150003.3813 295.6800 -183860.2027 -149906.1450 296.7494 -16.8471 15.7956 556126.6697 2.3121 2.3778 PRESSURE: 2190000 -159.812 -70.7478 -30.5012 -70.748 -190.647 -197.784 -30.5012 -197.783 47.6527 GPRESSURE: 2190000 -118.121 -8.18158 -53.8699 -167.793 -174.435 -215.485 -42.2746 -173.024 106.475 PRESSAVG: 2190000 -2.97068 49.8702 -13.8415 49.8702 -6.28549 -3.29897 -13.8414 -3.29889 1.62141 GPRESSAVG: 2190000 -2.97904 48.5777 -16.4759 50.5212 -5.37008 -2.99491 -11.0547 -5.33983 0.838228 TIMING: 2190000 CPU: 6539.54, 0.00296927/step Wall: 6539.54, 0.00296927/step, 2.31768 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2190000 744.9790 2067.5658 1937.6878 106.8064 -206522.5418 17657.3955 0.0000 0.0000 33951.1124 -150056.9949 296.5035 -184008.1072 -149963.7368 297.4189 -100.9355 -62.0272 554171.4882 -2.5449 -2.5036 PRESSURE: 2190200 177.293 149.812 -42.5829 149.811 73.5918 -21.258 -42.5818 -21.2583 -71.2752 GPRESSURE: 2190200 193.198 171.448 -51.7961 187.809 78.5523 6.42039 -2.8309 -40.3912 16.2469 PRESSAVG: 2190200 32.8595 44.3937 2.21919 44.3939 -33.8403 -22.4738 2.21912 -22.4738 47.1222 GPRESSAVG: 2190200 33.2259 45.2314 3.8177 43.4342 -34.2325 -23.6072 2.0093 -22.9224 47.6984 TIMING: 2190200 CPU: 6540.14, 0.00297489/step Wall: 6540.14, 0.00297489/step, 2.3219 hours remaining, 207.429688 MB of memory in use. ENERGY: 2190200 739.8558 2116.9446 1915.5250 108.3006 -206633.1010 17894.2496 0.0000 0.0000 33843.1176 -150015.1078 295.5604 -183858.2254 -149921.4168 297.0060 59.8700 95.9992 555972.6410 15.3805 15.5640 PRESSURE: 2190400 -149.221 -13.1533 122.546 -13.1521 270.636 -115.246 122.546 -115.246 -75.664 GPRESSURE: 2190400 -70.8563 53.3976 160.09 -112.961 325.721 -147.92 144.397 -36.4324 -102.732 PRESSAVG: 2190400 52.2142 29.6339 36.3005 29.6338 -51.5888 5.85817 36.3004 5.85822 23.9659 GPRESSAVG: 2190400 51.8874 31.2757 36.5401 31.6336 -50.7672 8.01827 36.9991 5.65623 24.3074 TIMING: 2190400 CPU: 6540.73, 0.00297498/step Wall: 6540.73, 0.00297498/step, 2.32181 hours remaining, 207.429688 MB of memory in use. ENERGY: 2190400 710.6915 2105.1181 1903.9558 113.4177 -207024.5213 17970.3713 0.0000 0.0000 34159.3044 -150061.6625 298.3217 -184220.9669 -149959.1012 297.0366 15.2501 50.7109 556151.4209 8.1971 8.4759 PRESSURE: 2190600 -384.209 -42.1969 -267.49 -42.1963 -129.668 77.2514 -267.491 77.2506 -261.515 GPRESSURE: 2190600 -340.56 -4.46725 -319.256 -11.4252 -60.998 11.7854 -220.398 32.9158 -288.668 PRESSAVG: 2190600 41.4668 15.9323 12.6447 15.9322 24.9123 -1.24101 12.6447 -1.24109 -11.2482 GPRESSAVG: 2190600 41.4843 13.5737 12.0731 15.5406 24.4554 -3.44499 10.9937 0.851305 -11.8834 TIMING: 2190600 CPU: 6541.33, 0.00296099/step Wall: 6541.33, 0.00296099/step, 2.31073 hours remaining, 207.429688 MB of memory in use. ENERGY: 2190600 734.3777 2113.3918 1927.2062 122.3312 -206437.1941 17744.4759 0.0000 0.0000 33946.2018 -149849.2095 296.4606 -183795.4113 -149761.5998 297.2269 -258.4640 -230.0754 558670.6742 18.3770 18.0188 PRESSURE: 2190800 7.17861 -83.621 -50.7031 -83.6194 -42.4614 4.51314 -50.7027 4.51373 7.15662 GPRESSURE: 2190800 92.8011 -10.0463 9.13242 -32.8717 -21.123 13.065 -41.3781 -19.7453 8.74101 PRESSAVG: 2190800 -22.2089 -11.0014 -31.7777 -11.0015 -14.4532 13.8413 -31.7778 13.8413 41.4724 GPRESSAVG: 2190800 -23.0343 -10.7543 -31.4966 -12.1126 -14.5311 16.1678 -31.43 12.3747 41.6477 TIMING: 2190800 CPU: 6541.92, 0.00294626/step Wall: 6541.92, 0.00294626/step, 2.29906 hours remaining, 207.429688 MB of memory in use. ENERGY: 2190800 727.7756 2068.1777 1920.8983 117.6598 -206627.5469 17921.7504 0.0000 0.0000 34126.5106 -149744.7746 298.0353 -183871.2852 -149646.6661 297.3298 -9.3754 26.8064 557443.3506 1.6035 1.3608 PRESSURE: 2191000 -160.584 -131.138 -36.9254 -131.137 -204.146 -44.9399 -36.9257 -44.9407 -214.097 GPRESSURE: 2191000 -129.836 -165.038 -43.3569 -30.2473 -123.785 15.2275 -20.9624 -61.633 -216.654 PRESSAVG: 2191000 -36.7743 10.6546 -49.2476 10.6546 34.2261 15.1609 -49.2476 15.1609 4.69214 GPRESSAVG: 2191000 -35.6604 11.2443 -48.3702 11.7136 33.7172 14.5032 -50.1808 14.3981 3.95364 TIMING: 2191000 CPU: 6542.5, 0.00294114/step Wall: 6542.5, 0.00294114/step, 2.29491 hours remaining, 207.429688 MB of memory in use. ENERGY: 2191000 711.1979 2096.2982 1925.4603 109.0772 -205812.6315 17458.8908 0.0000 0.0000 33934.6815 -149577.0256 296.3600 -183511.7071 -149479.3279 297.8095 -192.9422 -156.7580 557719.1974 0.7147 0.6701 PRESSURE: 2191200 164.942 68.6962 80.3838 68.6979 7.76072 84.7153 80.3829 84.7157 5.09355 GPRESSURE: 2191200 215.603 46.5524 182.387 26.3533 36.0219 45.889 33.5972 113.909 20.8121 PRESSAVG: 2191200 5.09524 -64.6636 34.6907 -64.6636 -13.2739 -50.3642 34.6907 -50.3644 -18.936 GPRESSAVG: 2191200 4.28369 -63.6081 33.8361 -65.3318 -12.0864 -48.8529 34.1696 -49.576 -19.6559 TIMING: 2191200 CPU: 6543.09, 0.00295042/step Wall: 6543.09, 0.00295042/step, 2.30198 hours remaining, 207.429688 MB of memory in use. ENERGY: 2191200 755.1891 2071.3733 1945.7687 107.4710 -206408.6599 17907.3364 0.0000 0.0000 34121.0957 -149500.4258 297.9880 -183621.5215 -149401.9008 298.2033 59.2654 90.8124 556224.4180 -9.0382 -9.1529 PRESSURE: 2191400 -271.883 149.465 -61.1051 149.466 -386.687 48.8405 -61.1051 48.8387 -278.258 GPRESSURE: 2191400 -256.152 138.319 -120.323 178.288 -347.05 12.4504 -22.4216 38.2855 -238.931 PRESSAVG: 2191400 17.6312 -23.4122 47.7353 -23.4122 -37.8212 -23.2976 47.7355 -23.2976 4.21816 GPRESSAVG: 2191400 18.1527 -22.966 46.062 -24.1408 -39.3296 -25.9944 50.8978 -22.0956 5.59912 TIMING: 2191400 CPU: 6543.69, 0.0029607/step Wall: 6543.69, 0.0029607/step, 2.30984 hours remaining, 207.429688 MB of memory in use. ENERGY: 2191400 780.2613 2098.9102 1948.9449 116.2115 -205870.6006 17488.0281 0.0000 0.0000 34002.1746 -149436.0701 296.9494 -183438.2447 -149341.0398 298.3458 -312.2760 -280.7111 557821.4614 -5.3239 -5.1926 PRESSURE: 2191600 180.315 -59.5114 92.0535 -59.5116 133.37 -71.4337 92.0531 -71.4336 91.8622 GPRESSURE: 2191600 242.42 -29.7364 119.259 -157.769 91.7969 -62.5531 -35.1647 -26.7597 163.065 PRESSAVG: 2191600 72.7586 57.6138 -59.2062 57.6135 -10.6935 43.6287 -59.2061 43.6288 -45.0511 GPRESSAVG: 2191600 71.9514 55.4018 -57.1573 59.3105 -10.0624 46.7819 -61.5956 41.0766 -44.8091 TIMING: 2191600 CPU: 6544.27, 0.00294497/step Wall: 6544.27, 0.00294497/step, 2.2974 hours remaining, 207.429688 MB of memory in use. ENERGY: 2191600 754.6109 2074.0687 1929.1158 119.0040 -206610.5035 18038.4610 0.0000 0.0000 34135.2071 -149560.0361 298.1113 -183695.2431 -149465.3583 298.1771 135.1823 165.7607 556565.0807 5.6714 5.6933 PRESSURE: 2191800 41.6985 -78.4087 41.9133 -78.4089 8.10229 80.1785 41.913 80.179 -46.8583 GPRESSURE: 2191800 71.0791 -84.0264 17.1563 -76.3584 51.9508 44.4627 39.6572 74.7444 -11.1853 PRESSAVG: 2191800 81.5199 29.7377 -7.30022 29.7378 -36.7585 14.8553 -7.30026 14.8555 -55.4226 GPRESSAVG: 2191800 83.2759 31.6402 -6.82317 29.1423 -36.9795 12.6962 -8.24543 17.7803 -56.4197 TIMING: 2191800 CPU: 6544.87, 0.00296581/step Wall: 6544.87, 0.00296581/step, 2.31349 hours remaining, 207.429688 MB of memory in use. ENERGY: 2191800 763.2945 2086.3250 1920.7805 116.4585 -206517.8849 17794.9501 0.0000 0.0000 34305.1547 -149530.9215 299.5954 -183836.0762 -149431.8926 299.1331 0.9808 37.2815 556242.9606 -3.5537 -3.3744 PRESSURE: 2192000 -328.804 3.96035 92.8742 3.96105 -394.775 105.547 92.8746 105.545 -185.899 GPRESSURE: 2192000 -260.195 29.8837 117.144 65.0456 -384.568 90.4021 45.0216 73.1053 -168.02 PRESSAVG: 2192000 -11.9944 47.0954 30.1629 47.0955 -52.5873 34.0318 30.1628 34.0317 38.0182 GPRESSAVG: 2192000 -11.805 45.5394 28.951 47.4988 -53.2917 34.6171 31.3457 32.0117 38.0832 TIMING: 2192000 CPU: 6545.46, 0.00294559/step Wall: 6545.46, 0.00294559/step, 2.29756 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2192000 742.4818 2078.8877 1914.8757 101.4769 -205820.0339 17427.3670 0.0000 0.0000 34031.5219 -149523.4230 297.2057 -183554.9448 -149429.3861 298.4285 -303.1596 -270.9274 557658.6549 -8.8545 -9.0045 PRESSURE: 2192200 112.939 -163.832 -29.212 -163.831 36.779 23.1539 -29.2117 23.1558 -80.0273 GPRESSURE: 2192200 88.0802 -140.997 39.0876 -159.923 30.9226 7.65486 -59.0466 63.9559 44.436 PRESSAVG: 2192200 44.7318 26.4244 11.9603 26.4244 -5.40905 -8.30819 11.9604 -8.3082 -2.02038 GPRESSAVG: 2192200 44.0891 27.2181 12.512 25.0607 -5.28473 -8.34761 10.6575 -7.73535 -2.0311 TIMING: 2192200 CPU: 6546.05, 0.00294476/step Wall: 6546.05, 0.00294476/step, 2.29675 hours remaining, 207.429688 MB of memory in use. ENERGY: 2192200 759.6652 2040.2160 1939.4034 127.1109 -205931.1526 17570.3059 0.0000 0.0000 34111.7783 -149382.6730 297.9066 -183494.4513 -149293.2867 298.6242 23.2301 54.4796 557067.9996 12.4341 12.2578 LDB: ============= START OF LOAD BALANCING ============== 6549.59 LDB: ============== END OF LOAD BALANCING =============== 6549.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6549.59 LDB: ============= START OF LOAD BALANCING ============== 6549.89 LDB: Largest compute 4773 load 0.030325 is 25.6% of average load 0.118273 LDB: Average compute 0.001721 is 1.5% of average load 0.118273 LDB: TIME 6549.89 LOAD: AVG 0.118273 MAX 0.199421 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.203 MB LDB: TIME 6549.89 LOAD: AVG 0.118273 MAX 0.199421 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: TIME 6549.89 LOAD: AVG 0.118273 MAX 0.199421 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6549.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6549.9 PRESSURE: 2192400 -66.1564 -149.334 -92.9061 -149.334 -118.816 41.1254 -92.9061 41.1234 100.997 GPRESSURE: 2192400 -13.8484 -114.576 -101.026 -213.255 -72.356 7.3571 -160.02 98.4062 102.758 PRESSAVG: 2192400 12.8468 -42.9845 -23.8727 -42.9844 -15.0143 -25.6421 -23.8726 -25.6421 23.8754 GPRESSAVG: 2192400 12.6276 -43.8788 -23.9135 -40.9877 -14.9889 -25.1264 -22.2992 -26.7017 23.403 TIMING: 2192400 CPU: 6546.65, 0.00300928/step Wall: 6546.65, 0.00300928/step, 2.3469 hours remaining, 207.226562 MB of memory in use. ENERGY: 2192400 762.3350 2122.5351 1917.7146 106.0047 -206618.2430 17884.5216 0.0000 0.0000 34291.6111 -149533.5208 299.4772 -183825.1319 -149444.2460 298.1594 -27.9918 5.5178 556917.9756 7.2360 7.0139 PRESSURE: 2192600 -280.534 94.2725 -164.925 94.2729 123.045 30.5792 -164.925 30.5793 36.1631 GPRESSURE: 2192600 -166.22 132.966 -227.165 29.3718 69.7246 34.7384 -157.752 -28.4609 68.8752 PRESSAVG: 2192600 20.7554 37.4076 -6.30178 37.4076 39.6341 -31.4365 -6.30171 -31.4366 -46.8785 GPRESSAVG: 2192600 20.8808 39.2061 -7.5915 35.4621 39.3249 -33.2397 -8.17457 -29.77 -46.5202 TIMING: 2192600 CPU: 6547.24, 0.00296349/step Wall: 6547.24, 0.00296349/step, 2.31103 hours remaining, 207.226562 MB of memory in use. ENERGY: 2192600 751.3938 2138.4118 1953.5862 106.9382 -206253.2466 17825.8944 0.0000 0.0000 34031.6076 -149445.4145 297.2065 -183477.0221 -149349.6065 298.5005 -40.4420 -9.2069 557291.6533 4.5037 4.5618 PRESSURE: 2192800 -206.593 128.118 45.0103 128.117 -41.1139 14.9143 45.011 14.9137 -203.312 GPRESSURE: 2192800 -216.191 163.888 -8.46216 102.738 2.83495 30.0245 100.539 -46.2797 -141.371 PRESSAVG: 2192800 12.6696 -15.4732 -67.5583 -15.4733 -2.01348 -0.845013 -67.5582 -0.845026 -5.87123 GPRESSAVG: 2192800 12.6419 -16.6689 -68.3542 -13.3108 -2.77446 1.46643 -63.6243 -0.864206 -4.96035 TIMING: 2192800 CPU: 6547.83, 0.00296594/step Wall: 6547.83, 0.00296594/step, 2.31277 hours remaining, 207.226562 MB of memory in use. ENERGY: 2192800 732.0216 2157.6234 1945.8786 120.3370 -206050.6517 17612.6878 0.0000 0.0000 34268.5944 -149213.5089 299.2762 -183482.1032 -149116.6638 299.1731 -150.3398 -118.2424 558101.5509 1.5950 1.6357 PRESSURE: 2193000 -373.012 58.777 55.9956 58.7779 -129.053 230.471 55.9958 230.47 -134.612 GPRESSURE: 2193000 -306.6 -40.352 60.659 86.2675 -88.3276 192.892 43.6424 202.385 -132.733 PRESSAVG: 2193000 -84.2312 -30.0624 13.2077 -30.0624 32.1549 -18.5507 13.2077 -18.5507 36.1024 GPRESSAVG: 2193000 -85.0134 -30.8259 14.508 -31.8401 32.4954 -19.7214 11.0542 -19.7141 36.3974 TIMING: 2193000 CPU: 6548.43, 0.00296953/step Wall: 6548.43, 0.00296953/step, 2.31541 hours remaining, 207.226562 MB of memory in use. ENERGY: 2193000 787.6947 2056.4174 1948.2418 124.3702 -206013.9913 17565.2010 0.0000 0.0000 34264.6947 -149267.3714 299.2421 -183532.0662 -149170.6169 299.6714 -212.2256 -175.8868 557023.4285 -5.3247 -5.3736 PRESSURE: 2193200 -10.0575 6.49356 -125.401 6.49364 -102.679 30.7143 -125.402 30.7147 197.646 GPRESSURE: 2193200 59.5658 81.1629 -176.21 2.94265 -28.951 28.2109 -157.9 3.61915 142.777 PRESSAVG: 2193200 -30.1212 -20.1306 11.8671 -20.1307 0.477254 43.8067 11.867 43.8068 29.0101 GPRESSAVG: 2193200 -30.7988 -18.0385 12.3202 -21.7164 1.17134 46.4042 11.4971 41.9325 28.4649 TIMING: 2193200 CPU: 6549.02, 0.00294442/step Wall: 6549.02, 0.00294442/step, 2.29567 hours remaining, 207.226562 MB of memory in use. ENERGY: 2193200 740.9683 2062.7320 1951.2238 100.9161 -206165.0764 17778.1744 0.0000 0.0000 34348.1601 -149182.9017 299.9710 -183531.0618 -149088.7745 299.5157 28.3031 57.7973 555610.2963 -0.2113 -0.3875 PRESSURE: 2193400 221.81 21.8343 -92.4673 21.8344 192.114 -64.5864 -92.4676 -64.5857 310.926 GPRESSURE: 2193400 309.251 10.6792 -90.7597 -72.5182 206.575 63.2616 -147.155 -73.5205 316.945 PRESSAVG: 2193400 5.12306 -45.0094 11.0885 -45.0094 43.6221 1.7314 11.0885 1.73139 -23.138 GPRESSAVG: 2193400 5.76842 -46.8939 10.2236 -42.7421 43.3382 0.360486 11.7941 3.61467 -23.5011 TIMING: 2193400 CPU: 6549.61, 0.0029463/step Wall: 6549.61, 0.0029463/step, 2.29697 hours remaining, 207.429688 MB of memory in use. ENERGY: 2193400 711.1713 2087.5235 1930.5693 95.8032 -206488.2144 18020.7798 0.0000 0.0000 34236.4427 -149405.9248 298.9954 -183642.3675 -149314.4577 299.3651 241.6167 277.5903 554541.8143 8.5357 8.5352 PRESSURE: 2193600 229.689 24.5805 7.02885 24.5798 74.1013 141.643 7.02991 141.644 -52.9573 GPRESSURE: 2193600 267.72 59.0041 47.8889 37.6988 96.6616 172.339 -41.8117 94.106 -16.9637 PRESSAVG: 2193600 3.53855 -32.6652 -51.5217 -32.6652 -30.0097 24.2477 -51.5216 24.2478 28.1123 GPRESSAVG: 2193600 2.34955 -31.3449 -51.0175 -32.7924 -29.7312 24.9662 -51.6474 23.1666 28.8113 TIMING: 2193600 CPU: 6550.2, 0.00295651/step Wall: 6550.2, 0.00295651/step, 2.30476 hours remaining, 207.429688 MB of memory in use. ENERGY: 2193600 738.8046 2067.3775 1912.4185 110.8741 -206530.7048 18101.4158 0.0000 0.0000 34262.0089 -149337.8053 299.2186 -183599.8142 -149249.2978 298.9361 83.6110 115.8061 557332.5616 0.5471 0.4766 PRESSURE: 2193800 228.537 -222.962 35.3335 -222.962 -132.056 37.8877 35.3341 37.8885 -158.016 GPRESSURE: 2193800 265.713 -286.784 -2.22807 -207.337 -104.481 5.87801 73.3847 37.9154 -129.997 PRESSAVG: 2193800 64.275 -56.1498 -26.5271 -56.1497 -57.502 -51.9736 -26.527 -51.9735 -5.97388 GPRESSAVG: 2193800 65.1853 -56.1484 -27.009 -55.8353 -58.422 -53.5166 -27.4437 -50.3666 -5.68974 TIMING: 2193800 CPU: 6550.79, 0.00296606/step Wall: 6550.79, 0.00296606/step, 2.31205 hours remaining, 207.429688 MB of memory in use. ENERGY: 2193800 716.3077 2090.9858 1922.8972 110.9961 -206337.6342 17885.9512 0.0000 0.0000 34157.2888 -149453.2075 298.3041 -183610.4963 -149347.2987 299.1809 -20.5117 10.4115 558927.5070 0.2664 0.3578 PRESSURE: 2194000 322.336 -61.3254 -118.681 -61.3261 189.696 -57.1869 -118.682 -57.1879 -141.609 GPRESSURE: 2194000 413.435 -117.054 -94.6628 -87.7692 166.63 -22.145 -64.7647 -69.6736 -106.027 PRESSAVG: 2194000 125.297 1.47489 6.64535 1.4747 -53.5727 11.92 6.64535 11.92 -116.757 GPRESSAVG: 2194000 124.416 2.36149 8.85381 1.69832 -52.9437 12.3111 4.67502 10.8978 -116.971 TIMING: 2194000 CPU: 6551.39, 0.00298343/step Wall: 6551.39, 0.00298343/step, 2.32542 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2194000 733.0550 2067.0363 1930.0388 124.0790 -206632.2001 18029.8528 0.0000 0.0000 34246.8062 -149501.3319 299.0859 -183748.1382 -149413.5541 298.2683 123.4745 158.0127 556513.7805 -15.0111 -15.1661 PRESSURE: 2194200 -216.993 41.1072 0.224984 41.1085 -89.9655 133.269 0.226474 133.269 -234.863 GPRESSURE: 2194200 -188.739 95.5221 -40.0349 7.91254 -33.7595 122.595 -27.0181 105.715 -209.657 PRESSAVG: 2194200 8.55174 -7.36523 -12.0777 -7.36526 21.6286 39.7904 -12.0777 39.7903 -24.0998 GPRESSAVG: 2194200 9.47052 -6.93791 -11.6376 -9.35605 21.2528 39.4713 -11.6083 39.895 -24.813 TIMING: 2194200 CPU: 6551.98, 0.0029871/step Wall: 6551.98, 0.0029871/step, 2.32811 hours remaining, 207.429688 MB of memory in use. ENERGY: 2194200 698.1898 2072.0577 1933.1607 122.1589 -205886.2746 17501.9131 0.0000 0.0000 34176.4470 -149382.3475 298.4714 -183558.7944 -149285.4959 298.6682 -180.6070 -144.0519 558171.9573 2.0268 1.9701 PRESSURE: 2194400 -112.443 81.6248 -209.641 81.6233 -7.77358 -114.928 -209.64 -114.927 14.388 GPRESSURE: 2194400 -25.5221 24.0313 -248.646 78.3443 -3.46824 -60.2322 -199.464 -86.7541 22.5164 PRESSAVG: 2194400 10.8825 -32.8068 -15.9042 -32.8069 9.72944 15.5928 -15.9042 15.5929 -32.2339 GPRESSAVG: 2194400 11.5858 -33.7596 -17.0607 -31.3136 9.75929 14.2126 -17.1273 15.6594 -32.4305 TIMING: 2194400 CPU: 6552.58, 0.00295618/step Wall: 6552.58, 0.00295618/step, 2.30385 hours remaining, 207.429688 MB of memory in use. ENERGY: 2194400 735.6230 2088.5239 1918.1929 109.8911 -206297.3287 17852.2734 0.0000 0.0000 34203.3485 -149389.4759 298.7063 -183592.8244 -149295.9691 298.7363 -35.2761 -2.1580 558135.3599 -3.8740 -3.6951 PRESSURE: 2194600 -194.657 -29.9967 -1.30624 -29.9967 -114.341 70.2903 -1.30705 70.2913 144.061 GPRESSURE: 2194600 -184.593 -32.1292 58.5198 -79.0246 -32.8153 -8.54968 -77.175 113.102 149.847 PRESSAVG: 2194600 11.694 49.5072 -44.0547 49.5072 22.0658 45.7485 -44.0546 45.7486 -34.7825 GPRESSAVG: 2194600 10.1328 49.1749 -47.6765 48.9087 22.7305 45.0611 -42.596 46.867 -34.3286 TIMING: 2194600 CPU: 6553.17, 0.00295759/step Wall: 6553.17, 0.00295759/step, 2.30478 hours remaining, 207.429688 MB of memory in use. ENERGY: 2194600 723.1190 2050.7699 1932.5006 110.1673 -206000.9667 17591.4581 0.0000 0.0000 34188.8372 -149404.1146 298.5796 -183592.9518 -149307.0557 297.9509 -54.9792 -22.5203 557604.4355 -0.3409 -0.4885 PRESSURE: 2194800 -303.929 40.3301 -23.1626 40.3305 -205.085 -104.74 -23.1631 -104.739 25.4509 GPRESSURE: 2194800 -241.606 158.824 -63.1173 -72.2659 -182.599 -119.953 -48.4412 -138.905 32.1056 PRESSAVG: 2194800 -7.89819 -4.1641 -44.553 -4.1641 -2.99411 5.67898 -44.5531 5.67898 21.01 GPRESSAVG: 2194800 -7.34329 -4.61977 -42.5473 -3.23711 -3.78696 7.47258 -44.0343 4.76296 21.3614 TIMING: 2194800 CPU: 6553.75, 0.00293397/step Wall: 6553.75, 0.00293397/step, 2.28621 hours remaining, 207.429688 MB of memory in use. ENERGY: 2194800 703.0927 2116.6601 1917.1829 102.2856 -205768.1868 17520.5945 0.0000 0.0000 34078.9656 -149329.4053 297.6201 -183408.3709 -149240.8309 298.8298 -161.1877 -130.6999 558765.5981 3.3726 3.4104 PRESSURE: 2195000 84.0189 -64.2011 20.4882 -64.2014 -122.25 -206.139 20.4881 -206.139 -171.257 GPRESSURE: 2195000 124.548 -111.723 137.155 -68.4165 -72.0514 -177.15 -15.1454 -210.228 -167.892 PRESSAVG: 2195000 -56.104 -7.61281 -12.0551 -7.61272 -32.8758 -70.2999 -12.055 -70.3 64.4 GPRESSAVG: 2195000 -55.3581 -6.64696 -12.4929 -9.41087 -33.4095 -69.779 -11.3074 -70.5144 64.5135 TIMING: 2195000 CPU: 6554.34, 0.00295374/step Wall: 6554.34, 0.00295374/step, 2.30146 hours remaining, 207.429688 MB of memory in use. ENERGY: 2195000 784.3093 2001.3987 1926.3489 110.0047 -206450.2900 17800.1755 0.0000 0.0000 34462.6240 -149365.4289 300.9707 -183828.0529 -149269.8973 299.0098 -69.8291 -38.4650 557414.2279 -8.1933 -8.0847 PRESSURE: 2195200 119.083 100.086 -82.9409 100.087 107.984 28.8014 -82.9405 28.8021 -0.0116622 GPRESSURE: 2195200 133.96 113.98 -130.607 13.2914 145.543 27.3764 -23.0224 -6.08594 50.9515 PRESSAVG: 2195200 72.1393 -9.59633 -20.2881 -9.59641 -14.8941 -28.1034 -20.2882 -28.1034 -38.6899 GPRESSAVG: 2195200 71.3028 -8.3938 -17.0692 -8.19149 -13.7021 -27.7743 -22.5697 -28.9159 -38.9605 TIMING: 2195200 CPU: 6554.93, 0.00293603/step Wall: 6554.93, 0.00293603/step, 2.28749 hours remaining, 207.429688 MB of memory in use. ENERGY: 2195200 715.2349 2079.6579 1909.1672 120.5770 -206446.4126 18058.1677 0.0000 0.0000 34200.7480 -149362.8599 298.6836 -183563.6079 -149262.8542 298.9943 75.6852 110.1516 557293.1756 6.1851 6.2134 PRESSURE: 2195400 -201.191 141.595 135.849 141.596 -290.827 -32.7035 135.849 -32.703 38.1522 GPRESSURE: 2195400 -129.763 214.76 86.2463 67.1951 -227.499 -65.6383 138.115 -29.6275 15.1174 PRESSAVG: 2195400 -33.1102 -24.0054 19.3195 -24.0054 4.59335 4.49039 19.3195 4.49042 1.00119 GPRESSAVG: 2195400 -33.5527 -22.1492 17.4629 -26.4738 4.04672 5.19598 20.1228 6.83971 2.2781 TIMING: 2195400 CPU: 6555.52, 0.00292533/step Wall: 6555.52, 0.00292533/step, 2.27899 hours remaining, 207.429688 MB of memory in use. ENERGY: 2195400 753.5384 2073.8099 1932.5572 112.6535 -206159.3338 17720.7832 0.0000 0.0000 34263.5864 -149302.4051 299.2324 -183565.9915 -149201.5081 298.5359 -151.2886 -114.0483 557092.8554 -9.1719 -9.0760 PRESSURE: 2195600 -535.219 64.7324 194.048 64.7317 -312.227 40.3194 194.048 40.3191 136.316 GPRESSURE: 2195600 -489.925 22.4633 129.754 98.7668 -270.274 -8.73762 297.214 -3.91725 161.617 PRESSAVG: 2195600 -77.4516 46.3186 3.17429 46.3186 53.5104 2.87206 3.17441 2.87206 46.8974 GPRESSAVG: 2195600 -77.736 44.5164 1.54717 46.8673 54.1694 2.55574 3.1861 2.24108 46.4222 TIMING: 2195600 CPU: 6556.1, 0.00292074/step Wall: 6556.1, 0.00292074/step, 2.27526 hours remaining, 207.429688 MB of memory in use. ENERGY: 2195600 754.5208 2038.6308 1918.9027 100.7484 -205978.0761 17681.5720 0.0000 0.0000 34143.2258 -149340.4756 298.1813 -183483.7014 -149242.1244 298.8052 -237.0431 -199.5274 559258.0999 7.6521 7.6185 PRESSURE: 2195800 -317.728 -59.0528 31.3701 -59.0525 -41.2272 50.2871 31.3718 50.2863 -206.616 GPRESSURE: 2195800 -307.723 -59.5914 30.6096 -76.3274 19.3933 79.4496 -9.96442 27.8584 -180.73 PRESSAVG: 2195800 -74.5781 45.2691 -16.6059 45.269 78.2602 -4.56226 -16.6058 -4.5623 -16.3959 GPRESSAVG: 2195800 -73.9477 44.5999 -15.2445 46.6952 77.34 -3.64195 -16.6522 -7.58383 -15.8842 TIMING: 2195800 CPU: 6556.68, 0.00291468/step Wall: 6556.68, 0.00291468/step, 2.27037 hours remaining, 207.429688 MB of memory in use. ENERGY: 2195800 731.7376 2085.1618 1940.0295 111.5808 -205899.4395 17706.7015 0.0000 0.0000 34155.5542 -149168.6742 298.2889 -183324.2284 -149068.8922 299.0162 -188.5237 -156.3532 558735.8686 -4.2379 -4.1640 PRESSURE: 2196000 -107.742 74.4681 -112.238 74.4687 272.204 34.0149 -112.239 34.0155 102.066 GPRESSURE: 2196000 -50.6916 -24.7729 -102.028 98.7189 331.387 22.4163 -97.0913 100.307 85.7179 PRESSAVG: 2196000 27.5242 -20.2834 -17.127 -20.2835 -18.2715 18.3384 -17.1269 18.3384 -4.6703 GPRESSAVG: 2196000 27.3199 -21.2702 -18.5389 -19.0235 -18.0313 16.3231 -16.3653 19.4318 -4.49793 TIMING: 2196000 CPU: 6557.27, 0.00293696/step Wall: 6557.27, 0.00293696/step, 2.28756 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2196000 762.3084 2081.9961 1941.4811 107.1847 -206235.6183 17955.8042 0.0000 0.0000 34310.2531 -149076.5907 299.6400 -183386.8438 -148983.6206 299.2695 88.8427 122.1379 556986.3772 1.5275 1.5969 PRESSURE: 2196200 13.626 128.491 55.2094 128.492 -104.493 73.4684 55.2093 73.4697 -345.253 GPRESSURE: 2196200 66.2482 166.085 119.099 212.29 -84.8541 68.3357 -9.17525 54.3074 -322.801 PRESSAVG: 2196200 -29.194 -15.3086 -8.41426 -15.3085 99.4645 29.0624 -8.41433 29.0625 -24.0721 GPRESSAVG: 2196200 -29.6024 -12.5438 -8.38661 -17.1796 99.3202 28.3091 -8.84844 33.0104 -23.5818 TIMING: 2196200 CPU: 6557.86, 0.00294209/step Wall: 6557.86, 0.00294209/step, 2.2914 hours remaining, 207.468750 MB of memory in use. ENERGY: 2196200 781.1668 2078.2771 1908.0505 116.0806 -206023.1363 17673.0006 0.0000 0.0000 34281.6073 -149184.9533 299.3898 -183466.5606 -149098.5990 299.7320 -145.3735 -113.8025 556813.9907 15.3995 15.3787 LDB: ============= START OF LOAD BALANCING ============== 6561.41 LDB: ============== END OF LOAD BALANCING =============== 6561.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6561.41 LDB: ============= START OF LOAD BALANCING ============== 6561.7 LDB: Largest compute 4773 load 0.030427 is 25.7% of average load 0.118199 LDB: Average compute 0.001732 is 1.5% of average load 0.118199 LDB: TIME 6561.71 LOAD: AVG 0.118199 MAX 0.198084 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.766 MB LDB: TIME 6561.71 LOAD: AVG 0.118199 MAX 0.198084 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.969 MB LDB: TIME 6561.71 LOAD: AVG 0.118199 MAX 0.198084 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6561.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6561.71 PRESSURE: 2196400 70.0001 -32.9253 -158.91 -32.926 -260.155 37.5099 -158.911 37.5093 -168.745 GPRESSURE: 2196400 105.848 -15.2602 -182.729 -65.5164 -205.312 22.4084 -103.737 78.3715 -158.707 PRESSAVG: 2196400 -52.5031 10.2286 -8.62562 10.2287 16.4645 -5.13147 -8.62561 -5.13153 18.2366 GPRESSAVG: 2196400 -51.8526 7.42009 -7.27569 9.72711 16.2273 -4.60029 -6.9569 -8.15734 17.8068 TIMING: 2196400 CPU: 6558.46, 0.00301146/step Wall: 6558.46, 0.00301146/step, 2.34526 hours remaining, 208.253906 MB of memory in use. ENERGY: 2196400 748.4847 2067.1705 1919.8460 104.2730 -205834.4681 17567.8280 0.0000 0.0000 34249.8110 -149177.0549 299.1121 -183426.8658 -149072.3393 300.1213 -119.6333 -86.0568 558273.3797 -5.9340 -5.9395 PRESSURE: 2196600 -190.268 7.35906 115.577 7.35959 -83.8374 -41.7818 115.577 -41.7824 49.9084 GPRESSURE: 2196600 -166.151 40.0982 18.1404 -4.98914 -59.7724 -21.6807 112.31 14.7563 88.0824 PRESSAVG: 2196600 54.1771 -21.1204 8.16493 -21.1204 -24.7021 19.0253 8.16493 19.0252 -7.8888 GPRESSAVG: 2196600 54.5557 -18.2674 8.58637 -20.5983 -23.2115 19.4239 6.22992 19.0852 -9.19276 TIMING: 2196600 CPU: 6559.05, 0.00294804/step Wall: 6559.05, 0.00294804/step, 2.2957 hours remaining, 208.253906 MB of memory in use. ENERGY: 2196600 761.8614 2078.3117 1920.4438 111.9327 -205951.9203 17688.3965 0.0000 0.0000 34274.2066 -149116.7675 299.3252 -183390.9742 -149023.4064 299.2285 -74.7323 -45.9471 557211.5538 7.1954 7.3838 PRESSURE: 2196800 -12.3763 54.1345 59.0692 54.1337 184.228 -22.0708 59.0686 -22.0702 353.892 GPRESSURE: 2196800 39.8375 -8.32577 55.4742 55.5937 153.603 -40.4193 13.9824 38.465 412.22 PRESSAVG: 2196800 -61.5459 -35.2021 -27.0093 -35.2021 -17.1706 29.7623 -27.0093 29.7622 69.4357 GPRESSAVG: 2196800 -60.2941 -37.0591 -28.6031 -34.1419 -18.5771 30.2377 -26.6227 29.1513 70.1847 TIMING: 2196800 CPU: 6559.64, 0.0029317/step Wall: 6559.64, 0.0029317/step, 2.28282 hours remaining, 208.253906 MB of memory in use. ENERGY: 2196800 767.4461 2070.9907 1912.8036 109.3088 -206331.7340 18001.8966 0.0000 0.0000 34415.3789 -149053.9093 300.5581 -183469.2882 -148962.5726 300.3991 175.2480 201.8868 556206.5201 -3.0936 -2.8955 PRESSURE: 2197000 -136.316 -93.4338 7.21464 -93.4348 289.435 -43.2569 7.21503 -43.2568 -76.8306 GPRESSURE: 2197000 -53.1938 19.4862 -56.1494 -133.773 290.485 -98.878 -45.2054 -118.21 -71.2676 PRESSAVG: 2197000 -13.0888 -4.40951 39.5593 -4.40948 45.931 -36.3566 39.5594 -36.3566 -2.04597 GPRESSAVG: 2197000 -14.0017 -4.26778 39.1781 -4.7502 46.1943 -35.9857 39.1597 -36.6128 -1.15417 TIMING: 2197000 CPU: 6560.23, 0.0029591/step Wall: 6560.23, 0.0029591/step, 2.30399 hours remaining, 208.324219 MB of memory in use. ENERGY: 2197000 733.2901 2169.7280 1917.0515 112.6159 -206151.7452 17905.0965 0.0000 0.0000 34337.0897 -148976.8734 299.8743 -183313.9631 -148881.0832 300.0614 25.4293 55.3410 558136.3419 10.2654 10.3461 PRESSURE: 2197200 280.669 40.7162 1.48802 40.7172 -7.24982 64.2739 1.48796 64.2732 111.038 GPRESSURE: 2197200 320.74 47.0618 -39.9754 111.724 -8.8859 109.843 84.2702 93.0372 171.838 PRESSAVG: 2197200 6.65888 23.7161 38.1627 23.716 7.15953 -1.66905 38.1627 -1.66926 22.4955 GPRESSAVG: 2197200 5.84226 22.8577 40.2051 24.6212 8.96391 -3.58195 37.8304 0.495553 21.4271 TIMING: 2197200 CPU: 6560.82, 0.00296265/step Wall: 6560.82, 0.00296265/step, 2.30658 hours remaining, 208.324219 MB of memory in use. ENERGY: 2197200 721.8676 2124.5384 1937.0988 104.1229 -206122.6429 17958.9191 0.0000 0.0000 34349.7938 -148926.3023 299.9853 -183276.0961 -148830.2654 299.7664 128.1526 161.2306 557288.6746 12.1046 12.0778 PRESSURE: 2197400 72.0915 236.926 -138.398 236.927 -61.3993 9.35991 -138.399 9.36008 -99.9317 GPRESSURE: 2197400 145.345 207.946 -107.519 204.339 -13.6093 75.5546 -120.819 2.18884 -122.103 PRESSAVG: 2197400 -21.2807 75.3153 -14.9427 75.3153 -4.60934 -5.81518 -14.9426 -5.81522 5.49038 GPRESSAVG: 2197400 -19.2607 77.0479 -15.4839 72.0413 -6.94821 -4.97992 -14.8546 -7.40587 5.82699 TIMING: 2197400 CPU: 6561.42, 0.00296597/step Wall: 6561.42, 0.00296597/step, 2.30901 hours remaining, 208.324219 MB of memory in use. ENERGY: 2197400 727.3824 2092.6377 1965.1629 117.2369 -205828.3984 17694.9724 0.0000 0.0000 34287.6279 -148943.3783 299.4424 -183231.0061 -148846.0635 299.8043 -29.7465 3.2110 558435.4227 -6.7999 -6.7940 PRESSURE: 2197600 -197.113 -162.498 -14.0873 -162.497 28.0435 31.3239 -14.0867 31.3239 -147.803 GPRESSURE: 2197600 -167.66 -156.031 45.1699 -134.931 63.7096 29.0121 -18.9696 5.28694 -117.474 PRESSAVG: 2197600 36.5294 22.2742 -34.0318 22.2742 38.7879 -12.9008 -34.0317 -12.9008 -53.102 GPRESSAVG: 2197600 35.1775 20.8825 -34.9533 24.6556 40.3249 -11.2264 -31.1153 -13.5584 -53.6352 TIMING: 2197600 CPU: 6562.01, 0.00295271/step Wall: 6562.01, 0.00295271/step, 2.29852 hours remaining, 208.324219 MB of memory in use. ENERGY: 2197600 732.4886 2112.2045 1946.5054 107.7135 -205883.3360 17623.0859 0.0000 0.0000 34322.8046 -149038.5335 299.7496 -183361.3381 -148947.9634 300.3468 -105.6240 -73.8081 558899.8435 7.4051 7.2891 PRESSURE: 2197800 -0.378891 -159.008 7.10742 -159.008 -40.4001 -14.7517 7.10714 -14.7518 -63.0956 GPRESSURE: 2197800 7.80031 -171.513 -6.59494 -129.008 35.1137 -34.1627 19.1702 7.7908 -46.9539 PRESSAVG: 2197800 -8.42461 -31.3013 -40.5432 -31.3014 -5.1374 -4.2454 -40.5432 -4.24542 -36.2871 GPRESSAVG: 2197800 -8.39863 -30.389 -41.9486 -34.0864 -6.04142 -5.21839 -41.1288 -3.48257 -35.3051 TIMING: 2197800 CPU: 6562.6, 0.00296788/step Wall: 6562.6, 0.00296788/step, 2.31016 hours remaining, 208.324219 MB of memory in use. ENERGY: 2197800 731.2811 2136.9541 1924.3055 102.8249 -206157.9238 17825.9886 0.0000 0.0000 34425.0342 -149011.5355 300.6424 -183436.5697 -148923.9659 300.9652 -34.6249 -1.3467 559391.7192 -16.6164 -16.5817 PRESSURE: 2198000 -1.94283 -99.7072 -163.13 -99.7067 -72.9369 -148.932 -163.13 -148.931 159.532 GPRESSURE: 2198000 35.512 -146.197 -118.82 13.4961 -19.8887 -74.8694 -79.1208 -198.673 167.96 PRESSAVG: 2198000 45.3324 11.41 -13.484 11.41 -75.3724 30.7099 -13.4839 30.71 36.6253 GPRESSAVG: 2198000 44.5098 12.0935 -11.844 13.5571 -74.4569 32.5971 -14.1889 30.0028 36.3979 TIMING: 2198000 CPU: 6563.19, 0.0029457/step Wall: 6563.19, 0.0029457/step, 2.29274 hours remaining, 208.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2198000 750.9338 2100.2271 1931.6548 121.6884 -205845.2497 17754.8211 0.0000 0.0000 34201.7113 -148984.2132 298.6921 -183185.9244 -148887.0299 299.9423 28.2173 61.1946 559443.2085 2.1951 2.1502 PRESSURE: 2198200 53.7792 -36.7525 -199.837 -36.7519 -53.2524 -104.499 -199.836 -104.5 217.548 GPRESSURE: 2198200 139.6 14.2907 -221.527 27.8052 6.60026 -229.33 -196.169 -60.9963 173.969 PRESSAVG: 2198200 -94.0815 -33.0707 -42.3983 -33.0707 -29.8639 2.57265 -42.3983 2.57263 33.279 GPRESSAVG: 2198200 -93.8026 -34.3579 -41.2593 -32.6876 -29.7479 0.463857 -43.4766 2.37451 32.5072 TIMING: 2198200 CPU: 6563.78, 0.00293655/step Wall: 6563.78, 0.00293655/step, 2.28545 hours remaining, 208.394531 MB of memory in use. ENERGY: 2198200 738.0608 2097.8568 1949.5568 116.4822 -206522.0235 17971.8040 0.0000 0.0000 34495.5115 -149152.7514 301.2579 -183648.2629 -149063.5596 299.1388 72.6916 106.7231 557808.0559 -30.2221 -30.3478 PRESSURE: 2198400 -35.6492 12.6658 -27.7659 12.6672 276.367 -84.443 -27.7667 -84.4418 -136.517 GPRESSURE: 2198400 35.7013 93.7003 -55.5439 -54.1095 296.331 -82.2536 -22.5261 -74.2535 -139.408 PRESSAVG: 2198400 -14.6538 -25.0555 -55.3164 -25.0556 16.4498 -15.0588 -55.3165 -15.059 1.04988 GPRESSAVG: 2198400 -12.968 -24.777 -56.4546 -24.3116 15.3475 -14.7326 -56.595 -12.8335 0.730284 TIMING: 2198400 CPU: 6564.37, 0.00294731/step Wall: 6564.37, 0.00294731/step, 2.29366 hours remaining, 208.394531 MB of memory in use. ENERGY: 2198400 699.7287 2111.0722 1945.1830 111.1446 -206095.1446 17791.7863 0.0000 0.0000 34321.8262 -149114.4035 299.7410 -183436.2297 -149007.8938 299.5797 34.7336 64.2083 557497.2928 0.9486 1.0366 PRESSURE: 2198600 -19.015 -42.6331 137.676 -42.6335 -177.175 -72.5283 137.677 -72.5293 -233.788 GPRESSURE: 2198600 14.901 -21.7555 162.785 9.61944 -156.812 -54.4912 92.9274 -0.0725184 -176.429 PRESSAVG: 2198600 60.3826 -72.8361 1.30781 -72.8361 60.1248 11.1682 1.30775 11.1682 -107.521 GPRESSAVG: 2198600 60.4815 -73.4603 1.79862 -73.6089 60.8097 11.6177 1.9067 11.8286 -108.251 TIMING: 2198600 CPU: 6564.96, 0.00294961/step Wall: 6564.96, 0.00294961/step, 2.29529 hours remaining, 208.394531 MB of memory in use. ENERGY: 2198600 769.7044 2111.0817 1906.8557 117.8558 -205633.6628 17485.2962 0.0000 0.0000 34215.9254 -149026.9436 298.8162 -183242.8690 -148926.9706 300.6251 -143.3258 -106.1133 556929.2567 4.3286 4.3467 PRESSURE: 2198800 -24.9706 -83.0137 103.906 -83.0137 17.4408 94.5573 103.905 94.5559 5.41161 GPRESSURE: 2198800 15.0477 -67.0641 126.039 -30.1887 39.1042 50.8196 87.9457 126.635 39.1404 PRESSAVG: 2198800 13.7866 -96.7048 -3.26656 -96.7049 65.0833 -2.90163 -3.26655 -2.90167 -70.1021 GPRESSAVG: 2198800 12.7706 -97.1114 -3.11349 -96.8428 65.7707 -4.19703 -3.49268 -3.13135 -69.5272 TIMING: 2198800 CPU: 6565.55, 0.00297398/step Wall: 6565.55, 0.00297398/step, 2.31408 hours remaining, 208.394531 MB of memory in use. ENERGY: 2198800 750.0945 2100.8937 1889.1226 104.5560 -205757.1626 17607.2619 0.0000 0.0000 34373.6540 -148931.5799 300.1937 -183305.2339 -148828.8413 300.0631 -0.7061 31.0974 557598.0881 2.9226 3.0047 PRESSURE: 2199000 166.345 15.5273 36.0238 15.5271 118.765 61.6778 36.0242 61.6763 216.231 GPRESSURE: 2199000 238.686 -20.1984 61.4924 10.6251 161.653 72.0248 107.347 16.4097 206.064 PRESSAVG: 2199000 49.3819 -30.4912 62.689 -30.4913 -34.8305 22.7121 62.6891 22.7122 -13.73 GPRESSAVG: 2199000 48.9939 -29.133 63.7801 -32.0145 -34.5839 22.6255 62.5945 22.8403 -13.4266 TIMING: 2199000 CPU: 6566.15, 0.0029863/step Wall: 6566.15, 0.0029863/step, 2.32351 hours remaining, 208.394531 MB of memory in use. ENERGY: 2199000 760.9048 2077.5564 1937.0160 110.0207 -205976.5791 17852.2629 0.0000 0.0000 34376.1782 -148862.6401 300.2157 -183238.8184 -148769.1168 300.7381 167.1137 202.1340 556438.4054 0.2738 0.3278 PRESSURE: 2199200 -3.16249 -74.8187 -19.2006 -74.8181 74.5807 102.807 -19.2008 102.807 56.3783 GPRESSURE: 2199200 61.2079 -101.589 -57.1457 -111.733 92.41 -15.7752 -48.7615 169.924 52.1653 PRESSAVG: 2199200 27.8086 38.9975 41.9312 38.9975 5.47611 16.5604 41.9311 16.5604 -5.12821 GPRESSAVG: 2199200 28.0923 39.5637 41.8484 37.7851 4.21387 17.1016 42.8884 16.4303 -4.26404 TIMING: 2199200 CPU: 6566.74, 0.0029576/step Wall: 6566.74, 0.0029576/step, 2.30101 hours remaining, 208.394531 MB of memory in use. ENERGY: 2199200 738.2146 2131.6479 1935.6317 108.1384 -205954.5119 17965.6563 0.0000 0.0000 34216.8976 -148858.3253 298.8247 -183075.2229 -148763.4442 300.4968 42.5988 68.5944 559392.7008 9.3855 9.3474 PRESSURE: 2199400 -106.513 -70.6327 124.341 -70.6322 -194.48 122.334 124.341 122.332 38.3139 GPRESSURE: 2199400 -80.7456 -143.34 191.042 -27.5177 -125.356 202.499 34.0186 94.9947 46.9151 PRESSAVG: 2199400 -12.0201 9.58372 -5.53727 9.5837 -41.393 13.5296 -5.53722 13.5295 61.1448 GPRESSAVG: 2199400 -11.4137 7.96863 -5.32459 11.1 -41.0722 14.5499 -6.56398 12.3157 60.83 TIMING: 2199400 CPU: 6567.33, 0.00296799/step Wall: 6567.33, 0.00296799/step, 2.30893 hours remaining, 208.394531 MB of memory in use. ENERGY: 2199400 762.8374 2110.5967 1922.2499 101.1363 -205679.6376 17568.5983 0.0000 0.0000 34163.8831 -149050.3359 298.3617 -183214.2190 -148949.0941 299.5674 -87.5596 -53.0622 558507.9976 2.5772 2.7814 PRESSURE: 2199600 542.772 -93.4354 -147.625 -93.4356 177.119 -44.1512 -147.625 -44.1504 -121.769 GPRESSURE: 2199600 595.965 -53.7967 -186.674 -71.5324 205.812 30.7593 -88.5099 -105.02 -112.995 PRESSAVG: 2199600 56.0075 -20.0418 5.23461 -20.0418 -63.2281 34.1228 5.23454 34.1227 2.21971 GPRESSAVG: 2199600 55.7769 -18.8694 3.40897 -20.1106 -62.8942 33.2657 6.73236 34.1094 2.09192 TIMING: 2199600 CPU: 6567.93, 0.00298081/step Wall: 6567.93, 0.00298081/step, 2.31874 hours remaining, 208.394531 MB of memory in use. ENERGY: 2199600 738.6213 2101.1876 1921.8942 127.3695 -206143.2684 17938.4477 0.0000 0.0000 34510.9293 -148804.8188 301.3925 -183315.7481 -148701.5462 300.4934 199.3740 229.5941 556924.7099 -1.6670 -1.6751 PRESSURE: 2199800 -47.6254 79.9193 -17.3228 79.9194 58.0828 12.53 -17.3237 12.5317 64.2345 GPRESSURE: 2199800 -65.7839 -17.9481 -68.6154 123.993 124.042 25.59 14.1401 20.6003 118.768 PRESSAVG: 2199800 0.144433 17.9175 -29.6087 17.9174 35.5647 -18.8894 -29.6088 -18.8895 17.3935 GPRESSAVG: 2199800 0.337024 17.5535 -27.3286 18.3391 34.9661 -18.5002 -29.2403 -19.5592 17.509 TIMING: 2199800 CPU: 6568.52, 0.00295787/step Wall: 6568.52, 0.00295787/step, 2.30073 hours remaining, 208.394531 MB of memory in use. ENERGY: 2199800 749.9875 2117.1077 1929.5958 105.4267 -205819.1115 17737.4620 0.0000 0.0000 34312.9698 -148866.5619 299.6637 -183179.5317 -148763.5077 300.2240 24.8973 59.0085 557803.2858 17.7009 17.6040 PRESSURE: 2200000 -178.059 55.7564 17.375 55.7568 -209.676 38.9313 17.3754 38.9309 154.652 GPRESSURE: 2200000 -163.733 79.9487 -8.80306 -57.957 -143.284 -62.5485 23.6885 36.397 157.947 PRESSAVG: 2200000 -30.0223 63.9396 39.2459 63.9396 2.64245 -6.93113 39.2459 -6.93114 16.1315 GPRESSAVG: 2200000 -31.0405 63.3273 37.0323 63.8268 3.56561 -6.96917 39.2566 -6.51087 16.606 TIMING: 2200000 CPU: 6569.11, 0.00295188/step Wall: 6569.11, 0.00295188/step, 2.29591 hours remaining, 208.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2200000 748.8870 2092.5983 1919.7458 123.8369 -206245.1281 17849.5205 0.0000 0.0000 34564.4687 -148946.0709 301.8601 -183510.5397 -148850.6487 300.3979 -77.6942 -49.6901 557470.3793 -3.7494 -3.6230 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2200000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 2200000 WRITING COORDINATES TO RESTART FILE AT STEP 2200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2200200 49.1414 -238.249 75.5264 -238.25 30.8907 216.49 75.5271 216.488 60.5669 GPRESSURE: 2200200 86.1088 -263.9 97.3778 -183.045 58.9368 204.938 111.246 227.08 101.107 PRESSAVG: 2200200 -2.17005 -19.1769 6.55571 -19.177 -15.622 73.5589 6.55569 73.5589 22.859 GPRESSAVG: 2200200 -1.93145 -20.2301 7.58786 -19.2254 -16.2684 75.4172 4.89366 73.8732 23.7613 TIMING: 2200200 CPU: 6569.72, 0.0030532/step Wall: 6569.72, 0.0030532/step, 2.37454 hours remaining, 208.394531 MB of memory in use. ENERGY: 2200200 731.6414 2106.4843 1925.8878 109.5468 -206097.8101 18041.0485 0.0000 0.0000 34317.2295 -148865.9718 299.7009 -183183.2013 -148761.2162 300.1850 46.8663 82.0508 558078.2213 1.6890 1.8538 LDB: ============= START OF LOAD BALANCING ============== 6573.27 LDB: ============== END OF LOAD BALANCING =============== 6573.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6573.27 LDB: ============= START OF LOAD BALANCING ============== 6573.57 LDB: Largest compute 4773 load 0.029731 is 25.1% of average load 0.118242 LDB: Average compute 0.001722 is 1.5% of average load 0.118242 LDB: TIME 6573.57 LOAD: AVG 0.118242 MAX 0.201582 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.004 MB LDB: TIME 6573.57 LOAD: AVG 0.118242 MAX 0.201582 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.008 MB LDB: TIME 6573.57 LOAD: AVG 0.118242 MAX 0.201582 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.008 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6573.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6573.58 PRESSURE: 2200400 50.4459 62.3305 -64.9443 62.3308 94.4641 3.49016 -64.9432 3.49101 -74.8356 GPRESSURE: 2200400 91.5475 20.5813 -54.5721 66.5739 103.776 -24.4607 -120.341 48.2569 -40.2381 PRESSAVG: 2200400 -3.67308 26.5072 -25.7979 26.5072 -15.9316 49.382 -25.7979 49.382 -24.1495 GPRESSAVG: 2200400 -1.94661 26.9461 -26.8669 25.7258 -15.291 49.0404 -23.565 48.298 -26.7702 TIMING: 2200400 CPU: 6570.33, 0.00304159/step Wall: 6570.33, 0.00304159/step, 2.36534 hours remaining, 207.027344 MB of memory in use. ENERGY: 2200400 763.1012 2137.6448 1935.7154 103.8081 -206281.5900 17846.7518 0.0000 0.0000 34480.2188 -149014.3499 301.1243 -183494.5687 -148913.4979 300.6921 23.3581 51.6951 557155.1100 -14.5847 -14.6693 PRESSURE: 2200600 303.663 43.1223 18.8009 43.1211 53.4782 63.0727 18.7995 63.0729 201.959 GPRESSURE: 2200600 343.336 39.7242 60.4117 33.2692 60.2036 137.965 86.9814 23.49 260.704 PRESSAVG: 2200600 42.3201 12.0496 -54.4517 12.0496 -1.06225 47.0588 -54.4516 47.0589 -35.6898 GPRESSAVG: 2200600 42.2578 12.6837 -53.3332 12.3901 -1.76989 47.5714 -55.9588 47.5267 -34.3882 TIMING: 2200600 CPU: 6570.92, 0.00296/step Wall: 6570.92, 0.00296/step, 2.30173 hours remaining, 207.027344 MB of memory in use. ENERGY: 2200600 762.5966 2128.4660 1900.2370 96.5191 -206247.5747 18025.6396 0.0000 0.0000 34211.3985 -149122.7178 298.7767 -183334.1163 -149025.1589 299.8295 186.3667 221.4145 555134.8683 1.8560 2.0333 PRESSURE: 2200800 -141.71 30.3015 -145.638 30.3013 -140.923 -68.6247 -145.64 -68.6228 -149.928 GPRESSURE: 2200800 -101.957 80.4372 -102.708 18.726 -106.614 2.80043 -139.507 -69.9643 -133.199 PRESSAVG: 2200800 11.0477 -4.00835 -48.4617 -4.00841 12.5683 1.1645 -48.4617 1.16448 -41.9899 GPRESSAVG: 2200800 11.5231 -4.58312 -47.5917 -5.14 12.5061 0.303941 -49.7107 2.65063 -42.6994 TIMING: 2200800 CPU: 6571.52, 0.00298721/step Wall: 6571.52, 0.00298721/step, 2.32273 hours remaining, 207.027344 MB of memory in use. ENERGY: 2200800 761.1861 2052.1262 1929.1207 127.3125 -205773.7366 17441.2509 0.0000 0.0000 34313.7681 -149148.9721 299.6707 -183462.7402 -149046.1637 300.1419 -144.1869 -113.9233 555905.5423 -6.1246 -6.2234 PRESSURE: 2201000 120.813 -38.6894 -4.56883 -38.6898 -12.8118 -144.746 -4.56844 -144.744 110.596 GPRESSURE: 2201000 156.687 11.1868 -29.508 -61.0592 10.7255 -96.3111 -34.6962 -155.703 138.622 PRESSAVG: 2201000 -69.7635 -48.5725 -24.2986 -48.5725 36.2193 -43.7347 -24.2987 -43.7346 -15.4019 GPRESSAVG: 2201000 -70.5046 -48.1896 -25.1803 -47.7918 36.8995 -44.2005 -24.5132 -43.9573 -15.7731 TIMING: 2201000 CPU: 6572.12, 0.00298922/step Wall: 6572.12, 0.00298922/step, 2.32412 hours remaining, 207.230469 MB of memory in use. ENERGY: 2201000 749.7124 2096.2923 1910.1586 114.9079 -206288.3027 17888.0439 0.0000 0.0000 34345.6242 -149183.5632 299.9489 -183529.1874 -149090.3695 298.9653 72.8657 102.0116 556358.5611 -16.3154 -16.4594 PRESSURE: 2201200 -136.93 -92.6829 -17.1509 -92.6832 -199.011 -134.683 -17.1497 -134.681 -164.44 GPRESSURE: 2201200 -103.049 -88.5736 22.9856 -63.3277 -198.46 -169.394 -5.17369 -54.2576 -100.847 PRESSAVG: 2201200 -26.8463 -5.85727 -18.9515 -5.85732 -1.33106 -21.1357 -18.9514 -21.1358 0.0252646 GPRESSAVG: 2201200 -26.371 -6.58782 -19.6783 -5.30899 -1.76278 -22.5821 -16.4845 -21.2145 -0.120322 TIMING: 2201200 CPU: 6572.71, 0.00296299/step Wall: 6572.71, 0.00296299/step, 2.30356 hours remaining, 207.230469 MB of memory in use. ENERGY: 2201200 719.9821 2120.8240 1918.2543 137.1275 -205599.5799 17271.1778 0.0000 0.0000 34114.2846 -149317.9295 297.9285 -183432.2142 -149226.1965 298.9610 -166.7937 -134.1189 556473.1541 -9.3840 -9.4180 PRESSURE: 2201400 -160.951 32.6857 -86.654 32.6862 86.1943 -131.15 -86.6536 -131.151 17.5578 GPRESSURE: 2201400 -87.3564 17.8202 -31.2028 51.6825 98.9209 -148.117 -111.022 -94.8369 41.26 PRESSAVG: 2201400 -66.573 -17.5475 -29.1221 -17.5475 0.395945 -32.2393 -29.122 -32.2393 60.5067 GPRESSAVG: 2201400 -65.8716 -13.537 -29.8807 -20.1618 0.500284 -31.5884 -28.8192 -32.2319 59.6562 TIMING: 2201400 CPU: 6573.3, 0.00297047/step Wall: 6573.3, 0.00297047/step, 2.30921 hours remaining, 207.230469 MB of memory in use. ENERGY: 2201400 769.7891 2114.8268 1915.5086 109.8078 -206509.5281 17848.8519 0.0000 0.0000 34426.8294 -149323.9144 300.6581 -183750.7438 -149227.7188 299.2982 -19.0664 17.6082 555912.7764 -1.8901 -1.9050 PRESSURE: 2201600 -303.166 116.393 -193.726 116.392 -243.976 -33.7146 -193.726 -33.7159 42.467 GPRESSURE: 2201600 -269.341 48.013 -232.883 106.215 -203.312 -46.7738 -42.38 -55.8222 74.4924 PRESSAVG: 2201600 -39.3436 -4.72644 13.8394 -4.72637 0.855721 -46.9137 13.8394 -46.9136 -11.0797 GPRESSAVG: 2201600 -39.3787 -7.7341 15.2935 -1.26492 1.8359 -46.3312 11.4365 -48.994 -12.0802 TIMING: 2201600 CPU: 6573.9, 0.00298267/step Wall: 6573.9, 0.00298267/step, 2.31853 hours remaining, 207.230469 MB of memory in use. ENERGY: 2201600 728.1458 2119.2739 1909.2468 106.3139 -205915.0545 17443.3508 0.0000 0.0000 34321.5141 -149287.2092 299.7383 -183608.7233 -149180.8842 299.3603 -168.2247 -132.7201 557763.4885 -16.5225 -16.5410 PRESSURE: 2201800 -169.217 -156.211 80 -156.211 -160.908 -32.2192 79.9997 -32.2197 -89.6142 GPRESSURE: 2201800 -189.274 -135.627 27.4216 -145.819 -86.1112 -6.95259 26.3656 27.7013 -54.7768 PRESSAVG: 2201800 -37.7342 -35.2759 -21.2164 -35.2758 25.2489 19.7755 -21.2165 19.7756 32.4273 GPRESSAVG: 2201800 -38.6799 -36.9333 -20.6509 -37.3951 24.3217 18.9241 -19.7432 22.1844 34.0435 TIMING: 2201800 CPU: 6574.5, 0.00298439/step Wall: 6574.5, 0.00298439/step, 2.3197 hours remaining, 207.230469 MB of memory in use. ENERGY: 2201800 739.4737 2100.9840 1908.0255 115.3732 -205893.0038 17523.2724 0.0000 0.0000 34223.3817 -149282.4933 298.8813 -183505.8750 -149183.9562 299.7406 -139.9129 -110.0541 557841.5036 6.6473 6.5617 PRESSURE: 2202000 224.318 50.1425 91.7914 50.1418 296.883 -115.92 91.7903 -115.921 430.7 GPRESSURE: 2202000 290.246 -10.2844 43.0595 86.9899 310.96 -179.759 137.267 22.6427 449.819 PRESSAVG: 2202000 -22.3842 0.967413 37.9569 0.967439 10.808 35.9543 37.9569 35.9542 14.0048 GPRESSAVG: 2202000 -22.3066 2.51341 37.0294 1.13 10.8284 38.1905 38.3637 34.3659 14.1368 TIMING: 2202000 CPU: 6575.1, 0.00298965/step Wall: 6575.1, 0.00298965/step, 2.32362 hours remaining, 207.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2202000 725.0061 2051.4883 1931.5536 124.0349 -206483.3272 18057.0108 0.0000 0.0000 34362.1861 -149232.0473 300.0935 -183594.2335 -149135.5793 299.1852 317.3004 350.3415 555419.2176 0.8095 0.8862 PRESSURE: 2202200 -56.8243 -42.1083 -48.5317 -42.1093 33.2108 54.7279 -48.5309 54.7287 70.0896 GPRESSURE: 2202200 41.2295 89.2762 -71.2752 -93.0222 33.6184 87.4808 14.5141 -113.825 58.8995 PRESSAVG: 2202200 -46.9578 7.53107 39.6765 7.53097 56.1143 28.8386 39.6764 28.8386 2.56345 GPRESSAVG: 2202200 -47.4536 7.42362 38.75 7.9697 56.5086 26.8691 39.8408 29.2003 2.56472 TIMING: 2202200 CPU: 6575.69, 0.00299802/step Wall: 6575.69, 0.00299802/step, 2.32996 hours remaining, 207.230469 MB of memory in use. ENERGY: 2202200 742.5331 2133.4634 1924.8325 115.1436 -206079.6043 17796.9533 0.0000 0.0000 34471.9029 -148894.7755 301.0517 -183366.6784 -148793.9387 299.8217 15.4920 44.5825 557922.2669 3.9066 3.8732 PRESSURE: 2202400 129.771 6.38306 -37.3996 6.38263 159.045 60.0026 -37.3994 60.0035 -44.145 GPRESSURE: 2202400 185.724 8.47846 -16.2202 -14.3596 223.783 66.4911 -8.60762 73.508 -56.8431 PRESSAVG: 2202400 -39.4925 -9.6019 28.6552 -9.60185 30.6235 34.2688 28.6551 34.2689 27.9591 GPRESSAVG: 2202400 -39.1757 -7.29523 32.2882 -9.96278 30.4295 35.5962 26.1711 34.5967 28.2459 TIMING: 2202400 CPU: 6576.29, 0.00296925/step Wall: 6576.29, 0.00296925/step, 2.30744 hours remaining, 207.230469 MB of memory in use. ENERGY: 2202400 766.5571 2130.2545 1960.8857 107.1497 -205934.8467 17914.6900 0.0000 0.0000 34062.5149 -148992.7948 297.4764 -183055.3097 -148903.7951 300.2256 81.5568 117.5545 556594.9141 6.3634 6.4999 PRESSURE: 2202600 94.032 120.906 -164.133 120.905 151.221 10.8047 -164.133 10.8026 207.335 GPRESSURE: 2202600 92.1081 74.1058 -179.611 133.933 272.116 46.9404 -139.403 14.6032 192.279 PRESSAVG: 2202600 -56.9504 -53.2763 30.6915 -53.2764 84.0552 30.7854 30.6915 30.7854 -21.0417 GPRESSAVG: 2202600 -56.5477 -55.6743 27.2162 -52.2017 82.9411 29.6739 32.4237 31.6411 -20.2671 TIMING: 2202600 CPU: 6576.89, 0.002982/step Wall: 6576.89, 0.002982/step, 2.31718 hours remaining, 207.230469 MB of memory in use. ENERGY: 2202600 726.4121 2114.3725 1944.8250 106.2159 -206153.8249 17829.0182 0.0000 0.0000 34458.4294 -148974.5518 300.9340 -183432.9812 -148887.8850 300.6944 150.8627 185.5010 555657.6012 2.0210 2.0421 PRESSURE: 2202800 141.818 -20.113 76.6378 -20.113 -434.909 147.308 76.6398 147.308 15.4473 GPRESSURE: 2202800 193.122 -52.5428 97.1114 -14.134 -360.271 95.996 28.9662 120.493 -11.3471 PRESSAVG: 2202800 -28.4633 -20.0588 -50.9329 -20.0587 31.3588 20.9525 -50.9329 20.9526 27.5092 GPRESSAVG: 2202800 -29.9771 -20.657 -52.4133 -22.1937 32.1493 20.3302 -51.3418 20.8612 27.945 TIMING: 2202800 CPU: 6577.48, 0.0029986/step Wall: 6577.48, 0.0029986/step, 2.32991 hours remaining, 207.230469 MB of memory in use. ENERGY: 2202800 786.7064 2078.0818 1922.7900 115.1824 -205799.2759 17398.9026 0.0000 0.0000 34164.9467 -149332.6660 298.3710 -183497.6127 -149239.3372 299.5733 -92.5481 -59.4985 555486.9751 10.1349 10.0391 PRESSURE: 2203000 58.5713 187.785 -79.5692 187.784 140.085 -206.239 -79.5693 -206.239 187.182 GPRESSURE: 2203000 117.189 169.115 -126.03 181.09 158.197 -233.721 -100.79 -156.286 209.947 PRESSAVG: 2203000 -18.5755 27.4344 -14.8169 27.4345 -12.8511 -3.71364 -14.8169 -3.71378 14.2957 GPRESSAVG: 2203000 -16.9302 27.5317 -15.5798 29.2897 -12.3958 -1.67238 -13.0384 -3.52889 12.2663 TIMING: 2203000 CPU: 6578.08, 0.00297251/step Wall: 6578.08, 0.00297251/step, 2.30948 hours remaining, 207.230469 MB of memory in use. ENERGY: 2203000 753.4732 2074.5232 1918.5585 106.1718 -206455.7462 18070.4052 0.0000 0.0000 34173.0774 -149359.5369 298.4420 -183532.6143 -149263.0894 299.0828 128.6129 161.7776 555774.8286 -5.7103 -5.6866 PRESSURE: 2203200 134.569 181.239 101.91 181.238 71.4825 -70.7453 101.909 -70.7462 -232.463 GPRESSURE: 2203200 117.558 188.701 28.6297 157.835 178.912 -25.688 118.919 -52.0229 -233.918 PRESSAVG: 2203200 25.3704 25.5221 14.25 25.522 19.2667 -16.5505 14.25 -16.5504 11.1984 GPRESSAVG: 2203200 24.7127 25.0737 18.002 26.8344 19.1847 -18.9023 13.3149 -16.78 12.0112 TIMING: 2203200 CPU: 6578.68, 0.00298155/step Wall: 6578.68, 0.00298155/step, 2.31633 hours remaining, 207.230469 MB of memory in use. ENERGY: 2203200 741.7473 2142.8286 1938.1337 120.0193 -206031.7860 17610.8618 0.0000 0.0000 34179.7739 -149298.4214 298.5005 -183478.1953 -149211.8059 299.1702 -8.8040 20.8505 556210.6554 18.6118 18.6362 PRESSURE: 2203400 -259.553 122.178 -70.8012 122.179 -175.669 159.725 -70.8009 159.724 -168.39 GPRESSURE: 2203400 -212.193 115.873 -49.5411 96.9676 -167.671 188.923 -98.3428 120.09 -133.616 PRESSAVG: 2203400 -64.3033 7.25836 -30.2593 7.25834 13.5193 -28.2421 -30.2591 -28.2421 37.5824 GPRESSAVG: 2203400 -63.7389 6.80159 -31.0937 7.06712 13.5576 -26.891 -30.0575 -28.3041 36.9469 TIMING: 2203400 CPU: 6579.27, 0.00295931/step Wall: 6579.27, 0.00295931/step, 2.29889 hours remaining, 207.230469 MB of memory in use. ENERGY: 2203400 727.9927 2122.2157 1924.8922 117.2995 -206109.9907 17552.9730 0.0000 0.0000 34193.7780 -149470.8396 298.6228 -183664.6176 -149377.6190 299.0930 -201.2041 -171.1601 558074.1286 -4.4005 -4.4115 PRESSURE: 2203600 -263.521 -118.205 -71.4647 -118.204 -182.568 41.9464 -71.4646 41.9461 -165.052 GPRESSURE: 2203600 -211.017 -61.7743 -109.341 -125.607 -146.797 40.6757 -96.6079 42.5374 -163.005 PRESSAVG: 2203600 6.53355 -4.55784 -46.2547 -4.5578 -29.5942 18.1144 -46.2547 18.1146 6.01091 GPRESSAVG: 2203600 6.83102 -2.08676 -46.9103 -4.5133 -30.1111 18.1408 -47.7071 17.913 6.52911 TIMING: 2203600 CPU: 6579.86, 0.00295701/step Wall: 6579.86, 0.00295701/step, 2.29694 hours remaining, 207.230469 MB of memory in use. ENERGY: 2203600 714.3853 2088.1917 1936.9091 103.1966 -206013.3441 17543.2460 0.0000 0.0000 34113.6263 -149513.7891 297.9228 -183627.4154 -149413.3526 298.3980 -203.7137 -173.6061 557354.3635 -5.6832 -5.5837 PRESSURE: 2203800 -268.146 49.7586 -148.657 49.7584 -253.724 49.3855 -148.659 49.3879 30.812 GPRESSURE: 2203800 -234.535 53.5563 -118.176 32.5343 -233.064 39.0619 -194.625 23.3867 70.1998 PRESSAVG: 2203800 -32.0967 -17.0018 -64.5754 -17.0018 11.2098 -2.50271 -64.5754 -2.50271 8.39183 GPRESSAVG: 2203800 -32.6296 -18.59 -64.601 -18.1403 11.2717 -1.58335 -63.7749 -1.29364 9.03341 TIMING: 2203800 CPU: 6580.45, 0.00296476/step Wall: 6580.45, 0.00296476/step, 2.3028 hours remaining, 207.230469 MB of memory in use. ENERGY: 2203800 766.6432 2074.9119 1928.4516 114.3894 -206109.4199 17554.1170 0.0000 0.0000 34305.6737 -149365.2330 299.6000 -183670.9067 -149265.4680 298.8308 -163.6860 -132.4666 556958.3592 -4.1650 -4.1082 PRESSURE: 2204000 -154.796 -9.97928 58.6693 -9.97826 -93.7792 -41.8178 58.6693 -41.818 101.27 GPRESSURE: 2204000 -104.908 27.0466 149.128 -84.5163 -93.6835 -84.1042 67.1671 -13.0405 162.388 PRESSAVG: 2204000 -0.390117 -37.4309 -60.6446 -37.4309 -6.43905 -31.3404 -60.6446 -31.3404 59.158 GPRESSAVG: 2204000 -1.75333 -37.396 -61.354 -37.7439 -5.77638 -33.0061 -60.918 -33.2817 59.8155 TIMING: 2204000 CPU: 6581.04, 0.00296362/step Wall: 6581.04, 0.00296362/step, 2.30174 hours remaining, 207.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2204000 751.0750 2001.4329 1917.6253 113.4107 -206125.8226 17655.7556 0.0000 0.0000 34176.5287 -149509.9944 298.4721 -183686.5231 -149409.3893 298.6827 -49.1015 -12.0678 555706.7748 17.4429 17.4286 PRESSURE: 2204200 63.6526 1.75457 66.459 1.75506 -31.6153 -176.249 66.4584 -176.248 48.5444 GPRESSURE: 2204200 53.9712 -100.214 68.7431 -25.1784 4.9026 -169.591 29.6309 -336.037 118.785 PRESSAVG: 2204200 -75.8344 -67.3532 50.7714 -67.3531 28.0172 -8.90844 50.7715 -8.90842 34.8439 GPRESSAVG: 2204200 -74.5874 -68.4898 50.8615 -66.1649 27.9601 -7.85504 50.3547 -8.47909 33.6203 TIMING: 2204200 CPU: 6581.63, 0.00294021/step Wall: 6581.63, 0.00294021/step, 2.2834 hours remaining, 207.230469 MB of memory in use. ENERGY: 2204200 786.2210 2029.3710 1924.4191 101.0671 -206327.5445 17892.4987 0.0000 0.0000 34406.6231 -149187.3445 300.4816 -183593.9675 -149099.0584 298.2234 26.8606 59.2197 556523.4592 -4.3244 -4.3356 LDB: ============= START OF LOAD BALANCING ============== 6585.18 LDB: ============== END OF LOAD BALANCING =============== 6585.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6585.18 LDB: ============= START OF LOAD BALANCING ============== 6585.47 LDB: Largest compute 4773 load 0.030767 is 26.0% of average load 0.118308 LDB: Average compute 0.001725 is 1.5% of average load 0.118308 LDB: TIME 6585.48 LOAD: AVG 0.118308 MAX 0.20149 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.059 MB LDB: TIME 6585.48 LOAD: AVG 0.118308 MAX 0.20149 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.258 MB LDB: TIME 6585.48 LOAD: AVG 0.118308 MAX 0.20149 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.258 MB LDB: ============== END OF LOAD BALANCING =============== 6585.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6585.48 PRESSURE: 2204400 -301.113 7.13722 -262.848 7.13744 -101.963 -162.629 -262.849 -162.63 98.0657 GPRESSURE: 2204400 -228.207 25.7261 -223.581 -10.1891 -40.4788 -111.684 -319.485 -196.889 49.1175 PRESSAVG: 2204400 -44.729 -47.8219 -42.9815 -47.8219 71.7063 -52.7527 -42.9816 -52.7526 10.7416 GPRESSAVG: 2204400 -45.0026 -46.105 -41.2592 -49.3969 72.5603 -53.4459 -43.6165 -51.2704 9.9534 TIMING: 2204400 CPU: 6582.23, 0.00299737/step Wall: 6582.23, 0.00299737/step, 2.32762 hours remaining, 207.226562 MB of memory in use. ENERGY: 2204400 716.6807 2098.4569 1905.3182 101.2929 -206156.6750 17670.8229 0.0000 0.0000 34491.3997 -149172.7039 301.2220 -183664.1036 -149069.2082 299.5144 -101.6702 -73.1895 557489.6672 12.5729 12.5037 PRESSURE: 2204600 -159.57 -65.3284 -16.5627 -65.3295 -27.2239 -100.993 -16.5636 -100.993 -82.4955 GPRESSURE: 2204600 -73.6414 -55.6385 -60.2776 -76.8338 -72.1684 -29.4517 3.05973 -118.533 -29.2097 PRESSAVG: 2204600 2.36011 43.6538 -61.9368 43.6537 -66.4297 -11.4693 -61.9368 -11.4693 12.3657 GPRESSAVG: 2204600 2.54028 45.1618 -63.9466 43.2181 -66.8654 -10.8747 -62.0288 -13.3284 12.4638 TIMING: 2204600 CPU: 6582.82, 0.00295073/step Wall: 6582.82, 0.00295073/step, 2.29124 hours remaining, 207.226562 MB of memory in use. ENERGY: 2204600 764.4519 2052.1784 1947.4984 103.8173 -205787.4782 17609.2437 0.0000 0.0000 33923.6312 -149386.6574 296.2635 -183310.2885 -149286.6688 298.8197 -89.7632 -58.3398 557692.8785 -17.2346 -17.2871 PRESSURE: 2204800 109.782 -42.1106 8.65864 -42.1109 -186.795 -13.6415 8.6589 -13.6428 -50.6679 GPRESSURE: 2204800 162.41 -73.1978 -49.4421 -28.3381 -183.72 -13.8224 31.0444 -16.9148 -18.514 PRESSAVG: 2204800 27.6487 -13.3314 -25.7336 -13.3315 13.2064 -37.6535 -25.7337 -37.6536 -37.0585 GPRESSAVG: 2204800 27.3467 -14.7778 -23.7554 -11.7872 14.0437 -38.667 -26.7017 -36.3078 -37.0735 TIMING: 2204800 CPU: 6583.41, 0.00293323/step Wall: 6583.41, 0.00293323/step, 2.27749 hours remaining, 207.226562 MB of memory in use. ENERGY: 2204800 755.5678 2084.6282 1918.1495 110.6773 -206442.6117 17726.1565 0.0000 0.0000 34382.5333 -149464.8990 300.2712 -183847.4323 -149358.3499 298.8569 -42.5601 -13.2747 557418.5359 1.2655 1.4390 PRESSURE: 2205000 193.874 -108.555 209.894 -108.555 -36.5971 -217.178 209.893 -217.178 143.154 GPRESSURE: 2205000 127.505 -76.7786 218.962 -86.4079 53.3626 -228.149 133.77 -230.937 212.664 PRESSAVG: 2205000 23.5486 25.2074 -9.06866 25.2074 -2.85361 -74.4333 -9.06867 -74.4334 -53.565 GPRESSAVG: 2205000 24.1481 24.9041 -8.92778 24.2024 -2.94136 -74.1698 -8.80922 -74.3648 -54.1855 TIMING: 2205000 CPU: 6584, 0.0029404/step Wall: 6584, 0.0029404/step, 2.2829 hours remaining, 207.226562 MB of memory in use. ENERGY: 2205000 779.3058 2066.9974 1935.1643 119.9076 -206704.7830 18219.7599 0.0000 0.0000 34271.4667 -149312.1813 299.3012 -183583.6479 -149211.8474 298.9748 100.1436 131.1772 559652.2694 -10.9567 -10.9929 PRESSURE: 2205200 -72.8937 82.6394 -70.4656 82.6383 -92.0444 53.1813 -70.4655 53.1809 -58.297 GPRESSURE: 2205200 -45.0686 80.7209 -13.5151 135.573 -53.4674 19.2991 -133.841 147.997 -29.41 PRESSAVG: 2205200 -10.1252 78.4067 -27.5216 78.4067 -28.7275 2.83919 -27.5216 2.83902 22.8698 GPRESSAVG: 2205200 -11.4448 77.2373 -28.3757 77.2159 -28.862 2.71221 -25.9511 2.89034 24.3596 TIMING: 2205200 CPU: 6584.58, 0.00293101/step Wall: 6584.58, 0.00293101/step, 2.27544 hours remaining, 207.226562 MB of memory in use. ENERGY: 2205200 747.3059 2077.3248 1903.9635 116.1741 -206071.1360 17612.7864 0.0000 0.0000 34232.9671 -149380.6142 298.9650 -183613.5813 -149283.5744 298.6038 -74.4117 -42.6487 559711.0762 -5.3276 -5.3158 PRESSURE: 2205400 55.2098 27.0812 112.607 27.0801 -74.2272 126.887 112.608 126.887 288.426 GPRESSURE: 2205400 87.5783 -14.7697 127.376 14.7757 -19.9962 102.981 52.5005 198.903 290.243 PRESSAVG: 2205400 35.8484 2.26674 5.90585 2.26662 -34.9683 41.9685 5.90571 41.9684 24.8236 GPRESSAVG: 2205400 36.8386 3.35481 4.65023 3.17414 -36.1564 41.5682 4.35244 42.6186 24.3477 TIMING: 2205400 CPU: 6585.17, 0.00294232/step Wall: 6585.17, 0.00294232/step, 2.28405 hours remaining, 207.226562 MB of memory in use. ENERGY: 2205400 730.1852 2115.8011 1926.1903 115.7072 -206173.7521 17779.4433 0.0000 0.0000 34257.4807 -149248.9443 299.1791 -183506.4250 -149157.1638 299.0867 89.8029 119.2752 557387.7851 8.5679 8.3433 PRESSURE: 2205600 213.398 -94.6734 -101.671 -94.6745 -221.78 -38.3441 -101.672 -38.3443 58.2612 GPRESSURE: 2205600 214.495 -137.248 -77.7584 28.6904 -203.03 -96.8922 -130.786 -11.3327 118.108 PRESSAVG: 2205600 -12.8379 4.28856 -5.32592 4.28853 12.3632 50.7679 -5.32589 50.768 2.63342 GPRESSAVG: 2205600 -13.0028 3.53862 -4.43961 5.19277 12.7569 49.7485 -3.45202 50.489 1.90625 TIMING: 2205600 CPU: 6585.76, 0.0029506/step Wall: 6585.76, 0.0029506/step, 2.29032 hours remaining, 207.226562 MB of memory in use. ENERGY: 2205600 742.8627 2131.9026 1928.1053 120.9135 -206290.1808 17866.1020 0.0000 0.0000 34290.2190 -149210.0756 299.4650 -183500.2946 -149106.8791 299.5771 16.6263 43.1911 559006.5079 0.7196 0.5534 PRESSURE: 2205800 -224.26 -34.9531 142.534 -34.952 -208.49 -41.8564 142.534 -41.8562 -226.628 GPRESSURE: 2205800 -254.54 54.5234 165.285 -127.313 -161.299 -31.0692 163.608 -11.4697 -154.547 PRESSAVG: 2205800 19.1176 -0.801464 18.5857 -0.801449 -3.75085 34.1885 18.5857 34.1887 -5.27669 GPRESSAVG: 2205800 18.2914 -1.7739 19.1663 -1.13388 -3.50866 34.965 17.2814 32.396 -4.05172 TIMING: 2205800 CPU: 6586.36, 0.00297004/step Wall: 6586.36, 0.00297004/step, 2.30525 hours remaining, 207.226562 MB of memory in use. ENERGY: 2205800 720.8984 2119.8238 1942.9793 114.2007 -205772.3362 17378.8198 0.0000 0.0000 34151.7478 -149343.8664 298.2557 -183495.6142 -149246.5977 298.9051 -219.7927 -190.1289 558355.9958 3.3633 3.5770 PRESSURE: 2206000 -127.869 65.8416 -113.119 65.8429 -305.519 58.1667 -113.119 58.1664 -273.438 GPRESSURE: 2206000 -153.965 45.82 -210.473 0.0740463 -233.253 48.3099 -45.8499 75.0823 -224.54 PRESSAVG: 2206000 -97.9373 50.3992 3.19422 50.3992 55.9876 11.2964 3.19436 11.2964 -9.35483 GPRESSAVG: 2206000 -98.3863 50.832 2.9548 51.1559 56.2088 11.534 3.72064 13.4905 -8.96094 TIMING: 2206000 CPU: 6586.95, 0.00296186/step Wall: 6586.95, 0.00296186/step, 2.29874 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2206000 747.9677 2121.8402 1934.5452 131.8334 -205973.9321 17481.5518 0.0000 0.0000 34265.4344 -149290.7594 299.2486 -183556.1938 -149200.6051 299.0332 -235.6088 -203.9191 558773.1383 -17.1015 -17.0461 PRESSURE: 2206200 34.1594 40.0977 21.7062 40.0973 147.67 102.162 21.7063 102.161 32.7994 GPRESSURE: 2206200 85.5145 96.6606 -27.9083 19.2137 167.621 162.005 28.9758 123.553 61.9399 PRESSAVG: 2206200 -19.0002 -11.2905 -12.4813 -11.2905 -53.3658 33.5366 -12.4813 33.5367 40.7499 GPRESSAVG: 2206200 -17.8091 -10.9541 -14.2192 -10.544 -53.9699 34.1037 -9.88525 32.4568 40.1849 TIMING: 2206200 CPU: 6587.54, 0.00294482/step Wall: 6587.54, 0.00294482/step, 2.28534 hours remaining, 207.226562 MB of memory in use. ENERGY: 2206200 764.2422 2098.8892 1947.7768 119.8489 -206319.2708 17981.2086 0.0000 0.0000 34136.0580 -149271.2472 298.1187 -183407.3052 -149174.0039 299.6442 71.5429 105.0251 557454.5807 -10.5387 -10.5314 PRESSURE: 2206400 86.9713 5.59473 -157.324 5.59456 -90.7807 -104.453 -157.325 -104.452 -16.2972 GPRESSURE: 2206400 106.95 10.8067 -233.469 -70.9384 -5.97262 -18.4749 -90.9365 -120.938 -19.2728 PRESSAVG: 2206400 -43.2895 -20.3433 -24.0706 -20.3432 13.6598 9.9525 -24.0706 9.95268 66.5231 GPRESSAVG: 2206400 -42.7443 -20.1096 -22.6052 -21.7029 14.0444 10.7778 -27.2993 10.1741 65.4268 TIMING: 2206400 CPU: 6588.13, 0.00297229/step Wall: 6588.13, 0.00297229/step, 2.3065 hours remaining, 207.226562 MB of memory in use. ENERGY: 2206400 776.3616 2122.1875 1930.8952 108.1833 -206219.0281 17811.0770 0.0000 0.0000 34396.7563 -149073.5671 300.3954 -183470.3235 -148979.9884 299.4958 -6.7022 27.2348 557481.3604 12.2978 12.2423 PRESSURE: 2206600 -180.402 50.5918 -116.698 50.5908 -77.4917 227.258 -116.699 227.258 -210.495 GPRESSURE: 2206600 -180.487 27.9961 -139.598 11.2451 -5.04509 307.544 -160.881 179.667 -193.169 PRESSAVG: 2206600 -35.3535 7.4927 -53.4069 7.49273 84.1111 26.558 -53.4069 26.558 -20.3575 GPRESSAVG: 2206600 -36.7309 7.84329 -53.0265 6.70688 85.2744 24.7048 -52.7121 27.0392 -20.3225 TIMING: 2206600 CPU: 6588.72, 0.00295781/step Wall: 6588.72, 0.00295781/step, 2.29509 hours remaining, 207.226562 MB of memory in use. ENERGY: 2206600 772.0531 2099.6238 1935.5616 121.6176 -206014.5030 17602.4261 0.0000 0.0000 34393.4382 -149089.7825 300.3665 -183483.2208 -148997.1459 300.0986 -156.1294 -126.2337 557416.3075 9.4667 9.4070 PRESSURE: 2206800 20.9468 -34.4054 -364.801 -34.4068 160.254 104.072 -364.8 104.073 125.276 GPRESSURE: 2206800 116.801 -163.33 -341.354 52.6472 170.177 148.805 -334.806 30.1351 98.1306 PRESSAVG: 2206800 -44.7481 1.65561 -46.375 1.65582 59.6035 24.6576 -46.375 24.6576 -52.6385 GPRESSAVG: 2206800 -44.7686 0.602923 -46.4881 3.54723 59.5595 24.6505 -45.5726 23.4603 -52.3574 TIMING: 2206800 CPU: 6589.32, 0.00297046/step Wall: 6589.32, 0.00297046/step, 2.30474 hours remaining, 207.226562 MB of memory in use. ENERGY: 2206800 758.6980 2087.1770 1927.7542 117.3256 -206431.5006 18106.9074 0.0000 0.0000 34327.3564 -149106.2820 299.7893 -183433.6384 -149012.9154 299.5155 102.1590 128.3695 557585.1738 -12.5944 -12.5222 PRESSURE: 2207000 -177.585 64.0958 -63.216 64.0954 210.475 50.1522 -63.2164 50.1507 234.199 GPRESSURE: 2207000 -139.5 12.9348 -82.7463 58.7125 250.904 99.8559 -50.8138 45.4939 243.264 PRESSAVG: 2207000 17.0582 5.99129 -53.1188 5.99121 -7.55249 -28.162 -53.1188 -28.1619 40.507 GPRESSAVG: 2207000 15.9026 6.93273 -51.9217 3.74061 -6.93531 -28.516 -55.1726 -25.6387 40.5621 TIMING: 2207000 CPU: 6589.92, 0.00299077/step Wall: 6589.92, 0.00299077/step, 2.32034 hours remaining, 207.226562 MB of memory in use. ENERGY: 2207000 773.7126 2122.9624 1966.8689 110.2945 -205978.3762 17772.4669 0.0000 0.0000 34262.6150 -148969.4559 299.2239 -183232.0708 -148883.2871 300.6368 89.0298 118.2228 556562.5172 16.6709 16.5098 PRESSURE: 2207200 61.7028 190.155 -70.6743 190.154 -191.326 166.448 -70.6748 166.45 -34.3473 GPRESSURE: 2207200 70.5172 149.924 22.81 264.259 -104.301 -31.6534 -121.985 230.974 -38.4601 PRESSAVG: 2207200 -18.2884 -8.41101 -19.0438 -8.41107 20.5623 -2.8885 -19.0439 -2.88838 70.6728 GPRESSAVG: 2207200 -16.441 -9.15307 -18.857 -8.40531 19.1508 -3.28173 -20.0787 -3.54881 70.099 TIMING: 2207200 CPU: 6590.51, 0.00296442/step Wall: 6590.51, 0.00296442/step, 2.29973 hours remaining, 207.226562 MB of memory in use. ENERGY: 2207200 758.4763 2092.4454 1922.0720 120.5046 -206035.4988 17714.4046 0.0000 0.0000 34379.6915 -149047.9045 300.2464 -183427.5960 -148944.2079 300.2133 -54.6569 -24.0812 557111.0710 24.3156 24.2696 PRESSURE: 2207400 -43.5113 -3.67252 38.4927 -3.6722 -79.0485 -66.671 38.4923 -66.672 33.1682 GPRESSURE: 2207400 3.78532 47.2567 -33.3327 -47.5616 -89.4253 9.60439 78.6715 -124.234 83.0262 PRESSAVG: 2207400 -22.1414 2.36634 12.7391 2.36644 -8.07378 38.0144 12.7391 38.0144 3.93938 GPRESSAVG: 2207400 -22.8447 4.5351 11.9579 1.88703 -7.63187 38.3279 14.3613 37.8761 4.43463 TIMING: 2207400 CPU: 6591.09, 0.00293205/step Wall: 6591.09, 0.00293205/step, 2.27446 hours remaining, 207.226562 MB of memory in use. ENERGY: 2207400 752.9778 2098.0255 1924.2354 111.8047 -205980.2854 17771.0738 0.0000 0.0000 34059.1097 -149263.0585 297.4467 -183322.1682 -149172.2143 299.0608 -29.7972 -0.8712 558403.4167 -8.7586 -8.6806 PRESSURE: 2207600 -501.331 -193.736 3.81108 -193.735 -93.6746 22.3616 3.81214 22.3622 -159.137 GPRESSURE: 2207600 -401.116 -165.868 33.9309 -187.794 -59.6314 -112.497 36.4582 32.3718 -193.673 PRESSAVG: 2207600 -15.1096 3.39083 10.4006 3.39083 25.7753 -11.9611 10.4008 -11.961 3.0932 GPRESSAVG: 2207600 -14.5053 0.72089 11.8947 3.84242 24.8452 -12.9211 10.165 -10.8519 3.18894 TIMING: 2207600 CPU: 6591.69, 0.00295715/step Wall: 6591.69, 0.00295715/step, 2.29376 hours remaining, 207.226562 MB of memory in use. ENERGY: 2207600 757.4746 2063.3630 1955.5820 120.5378 -205744.1024 17403.6061 0.0000 0.0000 34044.5357 -149399.0033 297.3194 -183443.5390 -149305.9760 298.1307 -251.3810 -218.1400 557805.5288 4.5863 4.5096 PRESSURE: 2207800 -111.881 -104.953 -75.3099 -104.954 110.258 78.8881 -75.31 78.8891 -128.746 GPRESSURE: 2207800 -107.142 -47.1353 -118.808 -123.804 152.815 70.3162 -40.0353 94.4541 -78.3982 PRESSAVG: 2207800 2.01689 -13.6717 88.7722 -13.6717 4.79042 13.6486 88.7722 13.6485 44.0747 GPRESSAVG: 2207800 0.824091 -12.6419 85.8965 -13.7571 5.15539 15.1257 89.2719 12.1281 45.303 TIMING: 2207800 CPU: 6592.28, 0.00298404/step Wall: 6592.28, 0.00298404/step, 2.31446 hours remaining, 207.226562 MB of memory in use. ENERGY: 2207800 787.2890 2055.5980 1955.5654 132.9161 -205945.9483 17685.6960 0.0000 0.0000 34025.1819 -149303.7018 297.1504 -183328.8837 -149211.3784 298.7656 -43.4565 -10.9083 557315.0500 16.9607 17.0942 PRESSURE: 2208000 -356.24 34.7628 72.9087 34.7631 15.4857 -118.582 72.9076 -118.582 129.123 GPRESSURE: 2208000 -276.814 40.0226 -22.4117 -33.1586 20.3535 -123.179 175.363 -184.307 127.321 PRESSAVG: 2208000 -26.8436 42.7372 -5.25817 42.7372 -30.9371 -73.7279 -5.25813 -73.728 36.8367 GPRESSAVG: 2208000 -26.1547 43.9505 -5.41965 42.223 -31.2855 -74.143 -8.37983 -73.7473 35.9334 TIMING: 2208000 CPU: 6592.89, 0.00301156/step Wall: 6592.89, 0.00301156/step, 2.33564 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2208000 723.4958 2114.4706 1943.6105 106.7665 -206206.0593 17654.8128 0.0000 0.0000 34427.7628 -149235.1403 300.6662 -183662.9031 -149135.3829 298.8207 -70.5435 -43.0465 556176.1323 -6.9813 -7.1690 PRESSURE: 2208200 70.5601 -12.8493 -103.589 -12.8485 -108.215 10.1537 -103.589 10.152 -75.5412 GPRESSURE: 2208200 129.755 -22.7521 -79.5878 36.4669 -122.742 -78.7345 -35.5374 32.2977 -18.2931 PRESSAVG: 2208200 1.9939 9.54673 -6.26966 9.54664 8.37085 13.3609 -6.26963 13.3608 49.2491 GPRESSAVG: 2208200 0.767188 8.74481 -5.37246 11.3812 9.94518 12.9206 -3.88195 13.4505 48.7212 TIMING: 2208200 CPU: 6593.48, 0.00298917/step Wall: 6593.48, 0.00298917/step, 2.3181 hours remaining, 207.226562 MB of memory in use. ENERGY: 2208200 766.2412 2077.2205 1942.4475 114.4516 -206328.9301 17836.2053 0.0000 0.0000 34190.8130 -149401.5509 298.5969 -183592.3639 -149304.2789 298.7706 -37.7320 -3.7601 557731.7742 19.8713 19.8112 LDB: ============= START OF LOAD BALANCING ============== 6597.03 LDB: ============== END OF LOAD BALANCING =============== 6597.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6597.03 LDB: ============= START OF LOAD BALANCING ============== 6597.33 LDB: Largest compute 4773 load 0.031352 is 26.5% of average load 0.118193 LDB: Average compute 0.001728 is 1.5% of average load 0.118193 LDB: TIME 6597.33 LOAD: AVG 0.118193 MAX 0.199738 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 6597.33 LOAD: AVG 0.118193 MAX 0.199738 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 6597.33 LOAD: AVG 0.118193 MAX 0.199738 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 6597.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6597.34 PRESSURE: 2208400 95.0622 -249.545 -104.436 -249.544 -154.798 -50.2599 -104.435 -50.261 213.644 GPRESSURE: 2208400 122.208 -248.449 -50.9925 -184.234 -81.6705 -145.82 -57.8947 11.1801 198.595 PRESSAVG: 2208400 -6.6733 -91.2979 -73.7542 -91.2977 -47.5943 30.7015 -73.7543 30.7016 33.5845 GPRESSAVG: 2208400 -5.59323 -91.6095 -72.6566 -90.0219 -48.9276 32.9153 -72.8221 30.6684 33.9 TIMING: 2208400 CPU: 6594.09, 0.00302431/step Wall: 6594.09, 0.00302431/step, 2.34518 hours remaining, 207.226562 MB of memory in use. ENERGY: 2208400 689.0371 2076.2299 1922.9105 107.2993 -206345.0171 17893.9027 0.0000 0.0000 34326.5279 -149329.1097 299.7821 -183655.6376 -149232.8559 298.8889 51.3026 79.7109 557729.0019 -6.8944 -6.8736 PRESSURE: 2208600 39.5083 80.462 -39.0548 80.4619 64.3499 132.577 -39.054 132.577 194.488 GPRESSURE: 2208600 55.6036 41.3561 -84.0456 63.3885 144.807 113.033 -50.9609 142.983 204.682 PRESSAVG: 2208600 -82.6724 0.432946 -12.0993 0.432946 28.6035 51.8302 -12.0993 51.8303 67.8499 GPRESSAVG: 2208600 -82.8384 0.691362 -11.8324 -2.02011 29.2487 49.3337 -12.545 50.4396 67.1966 TIMING: 2208600 CPU: 6594.68, 0.00297103/step Wall: 6594.68, 0.00297103/step, 2.3037 hours remaining, 207.226562 MB of memory in use. ENERGY: 2208600 723.6495 2085.3230 1961.5673 102.1871 -206263.0339 17923.6748 0.0000 0.0000 34022.0672 -149444.5651 297.1232 -183466.6322 -149359.2922 299.1715 99.4489 135.0308 556928.1927 4.5937 4.5357 PRESSURE: 2208800 71.1109 42.5887 -118.77 42.5874 -68.0073 -115.634 -118.768 -115.633 -237.401 GPRESSURE: 2208800 172.468 -61.9192 -106.16 -5.97905 -67.9983 -103.378 -170.872 -89.8194 -235.548 PRESSAVG: 2208800 32.0293 30.3985 30.7333 30.3985 14.5377 -29.2824 30.7333 -29.2823 -10.5298 GPRESSAVG: 2208800 32.4605 29.708 28.4588 30.4088 14.7672 -30.7501 29.7655 -25.9607 -10.4442 TIMING: 2208800 CPU: 6595.27, 0.00295014/step Wall: 6595.27, 0.00295014/step, 2.28734 hours remaining, 207.226562 MB of memory in use. ENERGY: 2208800 739.1565 2045.1733 1895.2515 110.3361 -205954.4943 17687.3632 0.0000 0.0000 33956.5369 -149520.6768 296.5509 -183477.2137 -149428.6027 298.4038 -78.0992 -43.6925 558102.6591 12.0124 12.2612 PRESSURE: 2209000 -39.9633 5.64441 -80.2677 5.64327 -14.8319 109.984 -80.269 109.985 -372.406 GPRESSURE: 2209000 20.8461 -71.3592 -70.876 19.5415 -9.39989 117.194 -130.938 56.2177 -342.763 PRESSAVG: 2209000 22.2856 48.3215 -27.8003 48.3214 27.9345 25.4351 -27.8002 25.435 -46.0668 GPRESSAVG: 2209000 23.2513 47.1487 -26.2816 50.5917 26.7935 27.8589 -27.0846 22.9555 -46.3423 TIMING: 2209000 CPU: 6595.86, 0.00296071/step Wall: 6595.86, 0.00296071/step, 2.29537 hours remaining, 207.226562 MB of memory in use. ENERGY: 2209000 730.5456 2104.0115 1943.8817 99.0403 -205884.9598 17514.3693 0.0000 0.0000 34103.8331 -149389.2783 297.8373 -183493.1114 -149294.3694 298.3715 -142.4003 -110.4388 558471.2119 1.3844 1.2341 PRESSURE: 2209200 40.3598 203.145 203.364 203.145 -235.436 94.6144 203.364 94.6138 -13.0783 GPRESSURE: 2209200 -0.929776 198.976 98.9234 304.532 -152.587 116.078 167.22 49.4243 56.2118 PRESSAVG: 2209200 -6.68277 41.8858 -16.5524 41.886 -30.5917 2.73064 -16.5523 2.73066 -23.8592 GPRESSAVG: 2209200 -6.63813 43.7811 -17.9168 39.3669 -30.8122 3.95143 -16.1817 4.03619 -23.9312 TIMING: 2209200 CPU: 6596.45, 0.00292562/step Wall: 6596.45, 0.00292562/step, 2.268 hours remaining, 207.226562 MB of memory in use. ENERGY: 2209200 721.2054 2129.3869 1947.6864 122.0666 -206137.6047 17802.7153 0.0000 0.0000 34092.2833 -149322.2609 297.7364 -183414.5442 -149219.8087 299.6810 -69.3847 -32.4350 558193.0271 -20.3779 -20.4605 PRESSURE: 2209400 -80.3824 74.8336 81.311 74.8329 22.4556 -15.5907 81.3095 -15.5913 171.556 GPRESSURE: 2209400 -4.55432 151.586 28.9582 -16.7849 35.5227 0.0754214 57.4288 -4.89397 181.32 PRESSAVG: 2209400 52.6888 -8.07003 30.4679 -8.07008 -47.0808 28.098 30.4679 28.0979 -10.0377 GPRESSAVG: 2209400 52.0859 -6.73859 31.1463 -9.47685 -45.8395 26.1424 30.5987 27.8417 -10.445 TIMING: 2209400 CPU: 6597.04, 0.00295285/step Wall: 6597.04, 0.00295285/step, 2.28895 hours remaining, 207.226562 MB of memory in use. ENERGY: 2209400 696.3491 2159.2136 1914.0714 102.2607 -206276.8685 17824.4558 0.0000 0.0000 34102.5232 -149477.9945 297.8258 -183580.5178 -149380.5620 299.0836 37.8765 70.7628 557600.3171 -1.4766 -1.3996 PRESSURE: 2209600 89.8132 67.3459 -51.7699 67.3453 125.997 -38.4836 -51.7702 -38.4832 99.8655 GPRESSURE: 2209600 71.5246 87.0023 -3.65099 10.3692 205.995 5.81745 -97.9908 -40.1756 134.14 PRESSAVG: 2209600 -48.8982 -3.40236 -29.2338 -3.40243 27.7327 -8.30196 -29.2338 -8.30208 12.333 GPRESSAVG: 2209600 -49.2117 -4.46639 -28.5219 -2.74182 27.4673 -8.86742 -29.4928 -7.15 13.3684 TIMING: 2209600 CPU: 6597.63, 0.0029331/step Wall: 6597.63, 0.0029331/step, 2.27348 hours remaining, 207.226562 MB of memory in use. ENERGY: 2209600 729.4563 2138.5900 1906.2664 109.0904 -206730.4054 18067.1210 0.0000 0.0000 34189.9424 -149589.9388 298.5893 -183779.8813 -149496.4351 297.7837 105.2251 137.2200 558099.2344 -2.9442 -2.7920 PRESSURE: 2209800 -89.0485 44.5984 -88.5768 44.5985 -135.008 -29.2296 -88.5763 -29.2322 -268.817 GPRESSURE: 2209800 -27.1175 -10.9315 -175.397 91.2356 -95.8338 -147.718 -110.047 -26.8743 -274.287 PRESSAVG: 2209800 -37.106 10.4241 -24.4909 10.4243 22.9779 0.669383 -24.4909 0.669329 38.945 GPRESSAVG: 2209800 -35.7265 7.24532 -26.7274 11.9473 22.7668 2.43235 -24.7457 0.340156 37.5991 TIMING: 2209800 CPU: 6598.21, 0.00293753/step Wall: 6598.21, 0.00293753/step, 2.27675 hours remaining, 207.226562 MB of memory in use. ENERGY: 2209800 786.9483 2044.9988 1911.5893 105.9941 -206366.5448 17701.1528 0.0000 0.0000 34255.8036 -149560.0580 299.1645 -183815.8616 -149470.2888 297.8240 -164.2913 -132.4129 556288.4712 8.2723 8.2131 PRESSURE: 2210000 -213.285 -13.5922 -63.5774 -13.5936 -241.5 18.0248 -63.5767 18.0262 -131.789 GPRESSURE: 2210000 -188.349 29.7777 -118.348 19.161 -232.188 84.5767 -97.5037 48.1983 -60.0606 PRESSAVG: 2210000 16.7093 23.3726 14.1216 23.3726 100.152 -9.3066 14.1216 -9.30653 -91.9128 GPRESSAVG: 2210000 15.4077 25.4416 14.2881 23.2352 100.814 -10.8719 13.8418 -10.9535 -91.3276 TIMING: 2210000 CPU: 6598.8, 0.00292469/step Wall: 6598.8, 0.00292469/step, 2.26663 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2210000 716.8742 2138.3271 1906.9401 127.5897 -206361.7892 17508.1300 0.0000 0.0000 34255.9238 -149708.0043 299.1655 -183963.9281 -149608.7677 298.1632 -195.5247 -160.1991 558062.1235 8.3163 8.2981 PRESSURE: 2210200 -221.5 20.6226 -112.49 20.623 157.113 74.6904 -112.491 74.6917 61.6826 GPRESSURE: 2210200 -167.89 97.7722 -90.9814 -43.6686 222.42 160.85 -106.732 31.4303 39.5331 PRESSAVG: 2210200 3.59301 40.41 14.7655 40.41 -13.9735 11.1266 14.7655 11.1267 23.8337 GPRESSAVG: 2210200 2.8159 40.9228 15.2424 40.8678 -14.1182 12.9921 15.5643 12.1089 24.4182 TIMING: 2210200 CPU: 6599.39, 0.00293473/step Wall: 6599.39, 0.00293473/step, 2.27425 hours remaining, 207.226562 MB of memory in use. ENERGY: 2210200 724.3505 2152.0236 1923.2806 109.1616 -206538.4595 17966.7788 0.0000 0.0000 34066.2680 -149596.5966 297.5092 -183662.8646 -149503.4669 298.2753 -0.9015 31.3543 557949.2522 4.4844 4.3720 PRESSURE: 2210400 -163.263 228.107 -65.7318 228.106 -63.5282 11.2148 -65.7313 11.2149 -22.2562 GPRESSURE: 2210400 -110.983 244.422 -22.7721 219.369 -15.7829 9.74302 -148.661 34.7852 -24.0148 PRESSAVG: 2210400 -31.951 11.1893 29.5309 11.1893 67.5306 -22.0421 29.5309 -22.042 -52.0426 GPRESSAVG: 2210400 -30.718 10.4495 29.1393 10.3399 67.4553 -21.6548 29.7077 -21.7978 -53.4856 TIMING: 2210400 CPU: 6599.98, 0.00295112/step Wall: 6599.98, 0.00295112/step, 2.28679 hours remaining, 207.226562 MB of memory in use. ENERGY: 2210400 715.2293 2047.4126 1952.0448 123.2163 -206114.7920 17645.0488 0.0000 0.0000 34135.2084 -149496.6319 298.1113 -183631.8403 -149399.2225 298.1365 -83.0159 -50.2604 557808.9356 -5.4877 -5.5828 PRESSURE: 2210600 -201.079 -85.4886 2.06645 -85.4882 -191.874 -58.2542 2.06676 -58.2559 -154.162 GPRESSURE: 2210600 -160.141 -52.8025 -53.8743 -109.359 -159.192 -39.9615 41.7589 -47.0831 -118.821 PRESSAVG: 2210600 -69.7644 -15.5707 0.0139866 -15.5707 7.06246 12.2106 0.0138939 12.2106 67.813 GPRESSAVG: 2210600 -70.3738 -14.7692 1.29167 -15.3171 6.25142 11.188 -2.09388 10.9507 69.0961 TIMING: 2210600 CPU: 6600.56, 0.00293118/step Wall: 6600.56, 0.00293118/step, 2.27118 hours remaining, 207.226562 MB of memory in use. ENERGY: 2210600 785.9159 2037.3741 1905.7644 101.9706 -205975.8572 17728.9321 0.0000 0.0000 34079.4006 -149336.4996 297.6239 -183415.9002 -149240.6435 298.2232 -182.3719 -146.0514 559404.3022 1.7037 1.6579 PRESSURE: 2210800 160.403 27.5106 97.8923 27.5105 -82.0992 -66.1747 97.8926 -66.1738 194.518 GPRESSURE: 2210800 153.551 169.341 159.215 -31.58 -21.9912 -28.7258 57.7488 -35.5287 227.697 PRESSAVG: 2210800 12.6973 -24.3261 30.7697 -24.326 -31.5832 14.1045 30.7697 14.1046 8.56235 GPRESSAVG: 2210800 12.087 -24.2093 29.8616 -26 -30.954 13.7521 31.1539 14.8918 8.95507 TIMING: 2210800 CPU: 6601.15, 0.0029611/step Wall: 6601.15, 0.0029611/step, 2.29419 hours remaining, 207.332031 MB of memory in use. ENERGY: 2210800 749.5781 2029.5128 1948.2937 118.0055 -206773.8572 18333.2253 0.0000 0.0000 34145.4994 -149449.7425 298.2011 -183595.2419 -149354.2461 298.6626 90.9406 119.7522 559308.7670 -3.4412 -3.3040 PRESSURE: 2211000 -275.035 90.2371 28.2562 90.2361 -108.538 139.232 28.2566 139.234 35.1909 GPRESSURE: 2211000 -249.255 37.1156 104.326 76.1432 -122.518 177.06 -84.3572 120.183 123.219 PRESSAVG: 2211000 -33.4606 35.1925 18.2104 35.1926 -73.6907 -55.8932 18.2105 -55.8934 99.3197 GPRESSAVG: 2211000 -33.5999 35.6414 19.0582 36.1301 -73.8316 -56.3343 18.2501 -53.8056 99.6034 TIMING: 2211000 CPU: 6601.75, 0.00297188/step Wall: 6601.75, 0.00297188/step, 2.30238 hours remaining, 207.332031 MB of memory in use. ENERGY: 2211000 766.9886 2025.6224 1951.9751 111.3002 -206075.9612 17711.2177 0.0000 0.0000 34036.2763 -149472.5809 297.2473 -183508.8572 -149383.8030 298.1146 -116.1274 -82.8511 558578.2639 -2.6105 -2.6094 PRESSURE: 2211200 186.092 -0.128574 -184.708 -0.129745 -19.5009 11.5295 -184.708 11.5291 198.615 GPRESSURE: 2211200 243.085 -18.5627 -211.534 -50.2048 31.0444 27.0058 -152.201 66.4194 180.183 PRESSAVG: 2211200 52.9539 21.3794 6.87476 21.3792 -65.913 37.4691 6.87464 37.469 15.3423 GPRESSAVG: 2211200 52.8978 21.925 6.10602 19.4391 -64.7728 40.2783 6.3333 36.1461 13.9245 TIMING: 2211200 CPU: 6602.34, 0.00294668/step Wall: 6602.34, 0.00294668/step, 2.2827 hours remaining, 207.332031 MB of memory in use. ENERGY: 2211200 766.7655 2113.3870 1935.0625 113.0836 -206572.4525 18052.0861 0.0000 0.0000 34155.0369 -149437.0308 298.2844 -183592.0677 -149338.4957 298.0497 121.7355 151.4372 556739.0692 0.7944 0.6832 PRESSURE: 2211400 164.251 28.3614 0.0147799 28.361 -54.8185 -55.9017 0.0143219 -55.9015 15.2133 GPRESSURE: 2211400 184.252 80.4741 2.74913 4.99061 -11.0045 -54.7154 56.3057 -105.085 51.9616 PRESSAVG: 2211400 26.8483 -33.8285 -46.6777 -33.8285 -37.2183 -33.1349 -46.6778 -33.1347 -3.46088 GPRESSAVG: 2211400 27.0139 -35.5117 -48.1053 -31.7887 -37.5963 -36.4875 -46.7679 -33.3695 -2.79845 TIMING: 2211400 CPU: 6602.93, 0.00293601/step Wall: 6602.93, 0.00293601/step, 2.27427 hours remaining, 207.332031 MB of memory in use. ENERGY: 2211400 716.3275 2090.4267 1941.3068 115.2020 -206605.4679 17971.3564 0.0000 0.0000 34297.6888 -149473.1597 299.5302 -183770.8485 -149372.1944 298.6927 41.5486 75.0698 556384.6015 -4.6103 -4.4603 PRESSURE: 2211600 -118.608 100.752 78.538 100.752 -27.7929 21.0008 78.538 21.0005 -226.589 GPRESSURE: 2211600 -42.3776 191.737 1.89664 51.4524 -28.6908 -61.2362 152.879 24.3397 -201.831 PRESSAVG: 2211600 7.17778 44.7602 24.6928 44.7603 -36.3655 -4.05126 24.6929 -4.05136 14.1537 GPRESSAVG: 2211600 7.83844 45.296 26.3669 43.3 -36.0892 -1.76948 23.6799 -3.04362 13.5343 TIMING: 2211600 CPU: 6603.51, 0.0029437/step Wall: 6603.51, 0.0029437/step, 2.28006 hours remaining, 207.332031 MB of memory in use. ENERGY: 2211600 746.7671 2059.1578 1935.7004 113.0728 -206203.4288 17876.1314 0.0000 0.0000 33953.7540 -149518.8453 296.5266 -183472.5993 -149428.0594 298.3192 -124.3298 -90.9664 558434.5693 -5.0114 -4.9055 PRESSURE: 2211800 67.909 41.4527 -177.835 41.4522 -13.7664 4.09983 -177.833 4.10004 -168.292 GPRESSURE: 2211800 106.837 41.6802 -62.7387 48.6019 -1.20626 27.6349 -210.506 10.6013 -137.161 PRESSAVG: 2211800 40.3547 10.7378 -48.0902 10.7378 3.51505 -16.163 -48.0902 -16.1631 -72.6688 GPRESSAVG: 2211800 40.0518 9.10162 -47.8025 13.893 4.53191 -16.591 -47.669 -15.6018 -73.6133 TIMING: 2211800 CPU: 6604.1, 0.00294444/step Wall: 6604.1, 0.00294444/step, 2.28047 hours remaining, 207.332031 MB of memory in use. ENERGY: 2211800 742.1172 2067.8101 1912.8579 108.0249 -206665.2410 18094.4701 0.0000 0.0000 34143.6852 -149596.2757 298.1853 -183739.9609 -149502.1449 298.3031 -38.0498 -10.5100 558776.8002 -9.5997 -9.6765 PRESSURE: 2212000 -34.0259 73.36 12.764 73.3609 165.127 -87.0469 12.7633 -87.0456 190.142 GPRESSURE: 2212000 26.4988 131.433 -55.4977 51.3372 142.688 -8.28907 91.1071 -16.469 253.51 PRESSAVG: 2212000 69.6381 -8.14873 -22.2246 -8.14869 12.9923 44.714 -22.2247 44.714 -61.9496 GPRESSAVG: 2212000 68.8925 -7.22942 -23.8386 -11.3238 12.1354 45.1896 -22.7613 44.2215 -60.0487 TIMING: 2212000 CPU: 6604.69, 0.00293987/step Wall: 6604.69, 0.00293987/step, 2.27676 hours remaining, 207.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2212000 716.9338 2110.8043 1936.3242 122.3290 -206904.2715 18261.2486 0.0000 0.0000 34406.5469 -149350.0847 300.4809 -183756.6317 -149249.1480 298.6470 107.0809 140.8988 556876.3043 6.8936 6.9931 PRESSURE: 2212200 -120.993 -117.226 -86.5747 -117.226 -309.563 -67.4742 -86.5762 -67.4744 -204.758 GPRESSURE: 2212200 -115.189 -149.143 -24.9972 18.7228 -281.479 -85.6527 -83.3194 -21.3216 -142.327 PRESSAVG: 2212200 -6.01571 -33.1599 -8.57159 -33.1599 -44.8002 -15.9484 -8.5716 -15.9484 -23.4583 GPRESSAVG: 2212200 -4.79204 -34.2074 -7.73326 -28.868 -45.0666 -16.5422 -6.80172 -14.9548 -24.2587 TIMING: 2212200 CPU: 6605.28, 0.00294317/step Wall: 6605.28, 0.00294317/step, 2.27916 hours remaining, 207.332031 MB of memory in use. ENERGY: 2212200 739.4938 2109.7499 1899.6957 128.8486 -205937.7779 17568.1248 0.0000 0.0000 34277.6805 -149214.1845 299.3555 -183491.8650 -149116.5213 299.2560 -211.7713 -179.6649 559880.1552 -24.7581 -24.7058 LDB: ============= START OF LOAD BALANCING ============== 6608.83 LDB: ============== END OF LOAD BALANCING =============== 6608.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6608.83 LDB: ============= START OF LOAD BALANCING ============== 6609.12 LDB: Largest compute 4773 load 0.030602 is 25.9% of average load 0.118238 LDB: Average compute 0.001730 is 1.5% of average load 0.118238 LDB: TIME 6609.13 LOAD: AVG 0.118238 MAX 0.199267 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.996 MB LDB: TIME 6609.13 LOAD: AVG 0.118238 MAX 0.199267 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.199 MB LDB: TIME 6609.13 LOAD: AVG 0.118238 MAX 0.199267 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6609.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6609.13 PRESSURE: 2212400 -105.597 -3.3947 -89.9597 -3.39449 -128.718 -13.0273 -89.9599 -13.0264 -71.3218 GPRESSURE: 2212400 -28.0896 -52.1048 -101.556 46.7068 -115.826 -10.5053 -17.1571 -20.2147 -59.4709 PRESSAVG: 2212400 -1.07838 48.3437 7.05625 48.3436 -27.1871 -0.96346 7.05619 -0.963596 23.358 GPRESSAVG: 2212400 -2.50898 47.9233 7.71942 47.616 -25.9944 -1.09157 6.10391 -1.29655 23.4737 TIMING: 2212400 CPU: 6605.88, 0.00302037/step Wall: 6605.88, 0.00302037/step, 2.33877 hours remaining, 206.003906 MB of memory in use. ENERGY: 2212400 767.5595 2097.6650 1928.0554 107.9219 -206388.9900 17993.2619 0.0000 0.0000 34030.4273 -149464.0990 297.1962 -183494.5263 -149366.2376 299.1067 -101.8789 -67.7954 557365.2495 -1.6358 -1.6765 PRESSURE: 2212600 -52.5842 -78.3427 83.4388 -78.3423 126.73 13.9998 83.4377 14.0003 -188.217 GPRESSURE: 2212600 -37.7487 -46.2291 116.581 -215.004 159.892 78.8616 47.0224 43.0976 -125.255 PRESSAVG: 2212600 -74.1742 14.4834 -35.1532 14.4834 68.7456 -9.42392 -35.1532 -9.42382 -59.4713 GPRESSAVG: 2212600 -73.9253 15.7085 -36.9285 13.6342 68.1269 -8.74826 -33.9903 -9.86548 -59.3602 TIMING: 2212600 CPU: 6606.48, 0.00295986/step Wall: 6606.48, 0.00295986/step, 2.29175 hours remaining, 206.003906 MB of memory in use. ENERGY: 2212600 749.3166 2072.6416 1928.9097 118.6737 -206243.7017 17776.6390 0.0000 0.0000 34124.6070 -149472.9141 298.0187 -183597.5211 -149378.2340 298.2206 -38.0236 -1.0373 556869.5489 -21.6333 -21.7195 PRESSURE: 2212800 -49.2542 63.703 196.759 63.7024 31.1679 -33.3173 196.759 -33.3162 8.43797 GPRESSURE: 2212800 -7.83879 113.096 136.86 -1.38087 25.8518 -69.2373 251.217 -10.7672 59.6927 PRESSAVG: 2212800 -27.451 20.4287 43.3315 20.4288 24.0206 -17.3634 43.3314 -17.3635 23.1973 GPRESSAVG: 2212800 -26.9234 20.4293 45.0133 20.2576 23.535 -15.196 41.6456 -16.9804 23.3544 TIMING: 2212800 CPU: 6607.07, 0.00296919/step Wall: 6607.07, 0.00296919/step, 2.29881 hours remaining, 206.003906 MB of memory in use. ENERGY: 2212800 744.2301 2120.4439 1927.0240 108.4828 -206562.0703 17910.4552 0.0000 0.0000 34226.1488 -149525.2855 298.9055 -183751.4343 -149425.2318 298.5345 -3.2161 25.9019 557048.8776 6.5890 6.6553 PRESSURE: 2213000 -188.499 22.591 -24.4162 22.5905 -80.9438 -16.3567 -24.4159 -16.3567 171.198 GPRESSURE: 2213000 -135.588 -56.1874 -46.2947 15.7419 -93.9644 4.46281 -29.6017 -20.0103 235.448 PRESSAVG: 2213000 -3.98616 12.9222 67.8015 12.9223 5.18847 -51.1621 67.8016 -51.1622 -10.2677 GPRESSAVG: 2213000 -4.2861 13.2629 67.2759 13.5645 5.1397 -53.0073 67.3049 -51.771 -9.95172 TIMING: 2213000 CPU: 6607.67, 0.00298356/step Wall: 6607.67, 0.00298355/step, 2.30977 hours remaining, 206.003906 MB of memory in use. ENERGY: 2213000 726.4055 2100.6009 1936.9256 103.5235 -206308.2339 17804.1551 0.0000 0.0000 34286.0098 -149350.6135 299.4283 -183636.6233 -149250.1279 298.8013 -32.7484 1.9653 557109.5271 -3.0218 -3.0327 PRESSURE: 2213200 3.48213 241.502 -1.87928 241.501 -44.9188 -7.61376 -1.87962 -7.61402 53.7658 GPRESSURE: 2213200 56.9339 320.323 66.9993 143.087 -33.389 -40.8791 23.4237 59.878 85.0609 PRESSAVG: 2213200 -12.0208 14.7768 -12.0545 14.7769 -64.9928 67.5479 -12.0544 67.5479 -4.53929 GPRESSAVG: 2213200 -12.4345 14.2428 -11.3653 14.7516 -64.753 65.1108 -11.5442 67.4802 -4.34555 TIMING: 2213200 CPU: 6608.27, 0.00299369/step Wall: 6608.27, 0.00299369/step, 2.31745 hours remaining, 206.003906 MB of memory in use. ENERGY: 2213200 743.3416 2070.3740 1899.9583 110.4873 -206501.1809 17929.5513 0.0000 0.0000 34302.6590 -149444.8094 299.5737 -183747.4684 -149349.1582 298.7168 4.1097 36.2019 558079.8021 -27.1843 -27.1777 PRESSURE: 2213400 -282.875 15.2258 212.878 15.2254 131.113 39.3133 212.879 39.3126 27.7779 GPRESSURE: 2213400 -294.853 10.7297 164.466 54.9467 255.764 -63.9894 181.66 94.0964 12.9853 PRESSAVG: 2213400 -10.4662 15.9375 36.0665 15.9375 62.1093 23.2642 36.0666 23.2641 -13.3728 GPRESSAVG: 2213400 -9.83814 18.4629 34.5608 16.1723 62.8845 23.0631 38.7406 24.6142 -15.2572 TIMING: 2213400 CPU: 6608.86, 0.00298542/step Wall: 6608.86, 0.00298542/step, 2.31088 hours remaining, 206.003906 MB of memory in use. ENERGY: 2213400 748.5921 2073.1136 1963.5247 93.0718 -206106.2073 17730.7188 0.0000 0.0000 34344.1707 -149153.0155 299.9362 -183497.1862 -149053.2752 299.0129 -41.3282 -8.7010 558436.8343 12.7568 12.5964 PRESSURE: 2213600 -126.012 -82.1722 -74.279 -82.1727 6.58334 -87.9706 -74.2808 -87.9717 32.4579 GPRESSURE: 2213600 -110.47 -47.9443 -117.854 16.9149 19.9628 -131.619 22.431 -98.7759 85.3296 PRESSAVG: 2213600 14.339 15.6119 72.8952 15.6119 4.88623 -20.227 72.8952 -20.227 2.36965 GPRESSAVG: 2213600 13.7335 15.5589 73.7934 14.0467 5.22872 -17.1283 71.8383 -21.8359 1.9682 TIMING: 2213600 CPU: 6609.46, 0.00296481/step Wall: 6609.46, 0.00296481/step, 2.29476 hours remaining, 206.003906 MB of memory in use. ENERGY: 2213600 734.0036 2143.3599 1907.4526 117.9644 -206043.2180 17694.6284 0.0000 0.0000 34360.3720 -149085.4372 300.0777 -183445.8092 -148979.4227 300.3551 -28.9903 -1.7259 557706.2386 7.1983 6.9768 PRESSURE: 2213800 5.02346 78.3733 -7.52362 78.3729 -74.9126 36.5281 -7.52473 36.5294 52.9572 GPRESSURE: 2213800 0.0804679 -26.9801 5.15034 186.465 -7.10477 14.7429 -7.56531 19.6243 99.6468 PRESSAVG: 2213800 32.6004 -5.59577 -12.6441 -5.59577 -34.6763 0.0349276 -12.644 0.034909 -21.0777 GPRESSAVG: 2213800 33.89 -4.20997 -13.4115 -5.63503 -35.5537 -1.80047 -11.6252 2.62803 -20.902 TIMING: 2213800 CPU: 6610.05, 0.00296386/step Wall: 6610.05, 0.00296386/step, 2.29386 hours remaining, 206.003906 MB of memory in use. ENERGY: 2213800 724.1239 2060.8212 1902.8525 117.1847 -206084.9410 17924.2566 0.0000 0.0000 34193.1540 -149162.5482 298.6173 -183355.7022 -149064.5325 299.3957 -5.6440 30.8741 558699.6170 -7.7178 -7.5219 PRESSURE: 2214000 123.052 -63.9977 -75.374 -63.9962 -284.652 0.195771 -75.3738 0.194188 155.449 GPRESSURE: 2214000 180.155 -90.2473 -121.131 20.3795 -244.72 15.402 -71.929 -50.8293 151.084 PRESSAVG: 2214000 74.9598 2.0336 -14.296 2.03351 -44.8969 -52.4051 -14.296 -52.4051 14.2423 GPRESSAVG: 2214000 72.8157 -0.00329849 -13.4128 2.8926 -44.6226 -51.8388 -15.0449 -54.0636 15.4016 TIMING: 2214000 CPU: 6610.64, 0.00296912/step Wall: 6610.64, 0.00296912/step, 2.29777 hours remaining, 206.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2214000 754.9365 2138.2611 1951.4946 103.6442 -206339.2664 17728.1889 0.0000 0.0000 34311.3836 -149351.3574 299.6498 -183662.7410 -149257.7311 299.0542 -2.0505 28.8396 558273.8786 14.7684 14.5316 PRESSURE: 2214200 -292.768 -113.081 86.2266 -113.08 -89.5983 47.0011 86.2271 47.0015 -98.4097 GPRESSURE: 2214200 -267.269 -121.132 96.0993 -99.6907 -28.3693 62.6207 -22.5069 46.4158 -99.199 PRESSAVG: 2214200 27.1508 -12.0201 -14.6869 -12.0201 -72.4484 3.6561 -14.6869 3.65619 -2.70499 GPRESSAVG: 2214200 28.0673 -11.1588 -16.0969 -11.4204 -71.9455 1.78478 -15.7821 3.92244 -3.827 TIMING: 2214200 CPU: 6611.24, 0.0029809/step Wall: 6611.24, 0.0029809/step, 2.30672 hours remaining, 206.003906 MB of memory in use. ENERGY: 2214200 775.9538 2087.2320 1933.9176 108.0425 -205899.0114 17651.0696 0.0000 0.0000 34165.1597 -149177.6362 298.3728 -183342.7959 -149085.1156 299.3075 -160.2586 -131.6126 559418.6179 -16.0008 -15.9017 PRESSURE: 2214400 34.8327 -160.451 -43.6775 -160.451 -50.1037 62.7669 -43.6778 62.7668 214.482 GPRESSURE: 2214400 56.1535 -181.461 -13.0373 -121.067 7.36031 19.4542 2.49935 95.9281 229.114 PRESSAVG: 2214400 4.21495 -59.9255 42.5689 -59.9256 49.0915 52.6 42.5689 52.5998 -31.0892 GPRESSAVG: 2214400 4.53931 -63.0425 43.5265 -61.1298 47.8569 53.4158 44.6477 52.135 -31.0887 TIMING: 2214400 CPU: 6611.83, 0.00297107/step Wall: 6611.83, 0.00297107/step, 2.29894 hours remaining, 206.003906 MB of memory in use. ENERGY: 2214400 735.7369 2091.8654 1940.4933 101.8088 -206393.8875 17903.3371 0.0000 0.0000 34291.4957 -149329.1502 299.4762 -183620.6460 -149233.8800 298.9335 66.4035 97.5427 557742.0774 7.4058 7.1025 PRESSURE: 2214600 -266.349 -31.5499 -8.38202 -31.549 131.214 105.205 -8.38263 105.206 12.0236 GPRESSURE: 2214600 -199.066 -22.6057 -90.037 0.00643614 102.541 69.4853 -37.9438 133.463 64.2099 PRESSAVG: 2214600 1.35184 -48.7881 -16.8432 -48.7882 -37.9704 -12.1279 -16.8432 -12.1278 33.71 GPRESSAVG: 2214600 0.0788367 -47.6228 -16.3594 -48.1026 -37.0128 -11.3706 -19.1016 -10.7564 34.4248 TIMING: 2214600 CPU: 6612.43, 0.00300164/step Wall: 6612.43, 0.00300164/step, 2.32244 hours remaining, 206.003906 MB of memory in use. ENERGY: 2214600 776.7945 2045.6211 1933.9626 109.7664 -206275.4381 17813.2936 0.0000 0.0000 34297.4061 -149298.5937 299.5278 -183595.9998 -149205.8144 298.9646 -41.0370 -10.7717 558820.7252 -0.9695 -0.8364 PRESSURE: 2214800 -247.784 -4.46183 40.2599 -4.4614 -31.6353 6.19606 40.26 6.1962 -198.908 GPRESSURE: 2214800 -233.57 -53.6789 -55.4701 -46.9126 53.8726 81.3407 58.8977 -110.515 -188.697 PRESSAVG: 2214800 -39.7037 9.29759 -8.85841 9.29761 2.03977 23.1988 -8.85836 23.1987 -12.7891 GPRESSAVG: 2214800 -38.4894 9.80828 -9.65159 8.87047 0.514201 23.5758 -9.77751 24.457 -12.4088 TIMING: 2214800 CPU: 6613.03, 0.00297063/step Wall: 6613.03, 0.00297063/step, 2.29828 hours remaining, 206.003906 MB of memory in use. ENERGY: 2214800 760.2432 2146.0150 1924.0369 116.1578 -205721.8192 17541.7473 0.0000 0.0000 34062.7909 -149170.8280 297.4788 -183233.6188 -149073.8166 299.2673 -159.4424 -122.7982 559450.3895 -16.8177 -16.7947 PRESSURE: 2215000 328.724 -144.981 -257.628 -144.982 184.087 164.641 -257.628 164.641 40.0777 GPRESSURE: 2215000 320.57 -58.9112 -173.891 -163.682 206.001 237.993 -261.813 86.9419 114.992 PRESSAVG: 2215000 -8.67932 -11.1443 -55.7829 -11.1443 37.3358 10.9371 -55.783 10.9371 -8.49795 GPRESSAVG: 2215000 -9.45484 -12.7261 -54.8939 -12.7459 37.2974 11.0725 -55.709 9.59121 -8.42486 TIMING: 2215000 CPU: 6613.62, 0.00297216/step Wall: 6613.62, 0.00297216/step, 2.29929 hours remaining, 206.003906 MB of memory in use. ENERGY: 2215000 723.6313 2066.5174 1904.8504 113.4913 -206600.7710 18255.1005 0.0000 0.0000 34327.4771 -149209.7030 299.7904 -183537.1801 -149105.0699 299.1701 184.2960 213.8544 558865.2901 6.7195 6.4726 PRESSURE: 2215200 3.68292 19.4842 -59.9853 19.4855 186.353 4.39163 -59.9854 4.39146 -125.893 GPRESSURE: 2215200 19.6398 -37.1923 -89.1994 66.7903 259.275 28.3903 -78.0529 22.1482 -118.606 PRESSAVG: 2215200 66.4974 54.6034 -39.6071 54.6033 -21.1717 -58.8638 -39.6071 -58.8638 -32.5777 GPRESSAVG: 2215200 65.9313 56.7583 -41.9912 55.4095 -18.9773 -59.5169 -36.9598 -58.7999 -33.9243 TIMING: 2215200 CPU: 6614.22, 0.00297012/step Wall: 6614.22, 0.00297012/step, 2.29756 hours remaining, 206.003906 MB of memory in use. ENERGY: 2215200 717.3405 2073.0030 1918.2701 114.9213 -206330.7849 17912.8398 0.0000 0.0000 34321.0596 -149273.3506 299.7344 -183594.4103 -149176.1535 298.8643 21.3810 53.4363 557237.8693 4.2493 4.3432 PRESSURE: 2215400 -77.9046 -47.2129 -101.634 -47.2132 -115.832 -193.491 -101.634 -193.492 70.7421 GPRESSURE: 2215400 -38.3931 -57.3977 -56.5331 -41.167 -28.3959 -179.833 -139.136 -170.758 36.605 PRESSAVG: 2215400 -34.5263 21.1459 -45.8113 21.146 50.8939 13.9196 -45.8113 13.9198 -31.1813 GPRESSAVG: 2215400 -34.5146 20.8441 -43.9567 23.3586 49.111 14.5351 -46.4847 12.5355 -29.2654 TIMING: 2215400 CPU: 6614.81, 0.00298151/step Wall: 6614.81, 0.00298151/step, 2.3062 hours remaining, 206.003906 MB of memory in use. ENERGY: 2215400 702.6520 2120.0992 1930.5229 101.8528 -206271.1862 17854.2431 0.0000 0.0000 34275.0613 -149286.7549 299.3326 -183561.8162 -149194.2652 299.2072 -40.9982 -10.0613 558833.3723 -4.9379 -4.8897 PRESSURE: 2215600 43.6472 5.61169 130.835 5.61027 14.0194 -6.0294 130.836 -6.03061 -25.5541 GPRESSURE: 2215600 74.9906 71.0915 95.2699 -22.9353 4.30982 -0.699855 68.8366 -9.81783 43.9595 PRESSAVG: 2215600 6.98349 39.0548 23.9119 39.0548 42.6752 -40.7384 23.912 -40.7384 -4.22922 GPRESSAVG: 2215600 7.77809 39.0205 22.8933 37.0865 42.6163 -40.0929 25.1008 -40.2497 -5.46092 TIMING: 2215600 CPU: 6615.41, 0.00297279/step Wall: 6615.41, 0.00297279/step, 2.29928 hours remaining, 206.003906 MB of memory in use. ENERGY: 2215600 739.5404 2048.8617 1943.1898 130.0011 -206248.0934 17788.3441 0.0000 0.0000 34236.5759 -149361.5804 298.9965 -183598.1564 -149266.7279 298.6399 10.7042 41.0866 556588.5410 15.1431 14.9778 PRESSURE: 2215800 -199.289 34.1065 79.6726 34.1062 148.08 121.899 79.6735 121.9 -278.353 GPRESSURE: 2215800 -168.157 40.3463 163.366 89.6817 205.117 73.5293 -85.0464 158.471 -278.563 PRESSAVG: 2215800 41.8624 -34.8937 20.2747 -34.8937 -42.0187 6.51389 20.2747 6.51389 14.4406 GPRESSAVG: 2215800 42.4211 -35.5531 22.7049 -34.2385 -41.3904 8.0389 18.4465 7.31907 12.9891 TIMING: 2215800 CPU: 6616, 0.00295307/step Wall: 6616, 0.00295307/step, 2.28387 hours remaining, 206.003906 MB of memory in use. ENERGY: 2215800 776.7564 2102.8850 1897.4945 103.4011 -206166.5222 17677.5548 0.0000 0.0000 34408.8858 -149199.5445 300.5014 -183608.4303 -149105.3670 299.6847 -109.8540 -80.5344 557576.5324 4.7614 4.6733 PRESSURE: 2216000 -4.45394 -191.925 -49.9732 -191.925 35.5144 83.3216 -49.9732 83.3208 -95.3121 GPRESSURE: 2216000 34.2978 -199.897 -75.5947 -161.373 46.5744 161.21 34.0725 62.7262 -32.988 PRESSAVG: 2216000 -14.9212 41.6849 4.37497 41.6848 66.5622 72.3529 4.37496 72.3529 -45.3522 GPRESSAVG: 2216000 -15.0517 41.5827 1.85709 42.024 65.7102 68.9535 6.60786 73.5738 -44.7557 TIMING: 2216000 CPU: 6616.59, 0.00295526/step Wall: 6616.59, 0.00295526/step, 2.2854 hours remaining, 206.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2216000 755.0627 2071.0999 1905.9657 114.4605 -206380.5929 17844.7730 0.0000 0.0000 34467.6370 -149221.5941 301.0144 -183689.2311 -149125.8741 299.2500 -21.4172 15.9614 557897.5946 2.0963 1.9676 PRESSURE: 2216200 -20.9729 35.5548 26.8539 35.5547 -73.6699 61.4538 26.8544 61.454 -54.7888 GPRESSURE: 2216200 -31.7805 35.3671 69.3865 6.00827 -31.4715 29.0243 -49.5838 146.051 7.09044 PRESSAVG: 2216200 87.9544 48.2573 -2.54661 48.2574 -75.1603 64.7919 -2.54661 64.7918 -17.892 GPRESSAVG: 2216200 87.6531 49.2427 -0.11748 47.2592 -74.6273 65.6762 -5.55596 65.5175 -17.984 TIMING: 2216200 CPU: 6617.18, 0.00297051/step Wall: 6617.18, 0.00297051/step, 2.29703 hours remaining, 206.003906 MB of memory in use. ENERGY: 2216200 758.0017 2067.8777 1909.3935 122.4866 -206052.8863 17744.1415 0.0000 0.0000 34239.0900 -149211.8953 299.0185 -183450.9853 -149115.6338 299.2664 -49.8105 -18.7205 558471.1835 -1.6993 -1.6527 LDB: ============= START OF LOAD BALANCING ============== 6620.73 LDB: ============== END OF LOAD BALANCING =============== 6620.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6620.73 LDB: ============= START OF LOAD BALANCING ============== 6621.03 LDB: Largest compute 4773 load 0.030435 is 25.8% of average load 0.118193 LDB: Average compute 0.001739 is 1.5% of average load 0.118193 LDB: TIME 6621.03 LOAD: AVG 0.118193 MAX 0.20097 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.027 MB LDB: TIME 6621.03 LOAD: AVG 0.118193 MAX 0.20097 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.027 MB LDB: TIME 6621.03 LOAD: AVG 0.118193 MAX 0.20097 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.027 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6621.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6621.04 PRESSURE: 2216400 303.197 50.8154 80.7694 50.8156 -100.404 -73.6418 80.7704 -73.6439 126.792 GPRESSURE: 2216400 368.578 -4.43143 82.9738 94.3287 -59.9003 -95.0639 102.558 -98.6843 118.531 PRESSAVG: 2216400 49.8399 61.9387 -0.827047 61.9387 -28.8321 4.42846 -0.827026 4.42851 -15.2441 GPRESSAVG: 2216400 50.5278 60.2082 -1.80522 64.7041 -30.0215 3.91095 0.844012 2.6222 -14.121 TIMING: 2216400 CPU: 6617.79, 0.00301628/step Wall: 6617.79, 0.00301628/step, 2.33225 hours remaining, 209.601562 MB of memory in use. ENERGY: 2216400 686.1168 2073.1567 1940.7472 120.4225 -206540.6715 18113.6606 0.0000 0.0000 34241.4897 -149365.0780 299.0394 -183606.5677 -149268.2053 299.1908 109.8616 142.4028 557880.0812 1.9212 2.1284 PRESSURE: 2216600 -120.122 17.4285 -7.59197 17.4292 -36.5629 -61.6842 -7.59243 -61.6841 441.295 GPRESSURE: 2216600 -90.0216 98.7726 76.6823 63.0059 62.8436 -24.1707 -6.3394 18.1956 410.308 PRESSAVG: 2216600 -36.0139 -21.0272 52.9908 -21.0271 -39.6234 -1.42181 52.9908 -1.42191 59.7416 GPRESSAVG: 2216600 -35.6313 -19.6781 53.6127 -24.3588 -38.3832 -0.598044 52.6802 0.478371 58.8699 TIMING: 2216600 CPU: 6618.38, 0.00298079/step Wall: 6618.38, 0.00298079/step, 2.30465 hours remaining, 209.671875 MB of memory in use. ENERGY: 2216600 713.0095 2048.9824 1925.7225 132.0250 -206253.9144 17964.0613 0.0000 0.0000 34242.4553 -149227.6584 299.0479 -183470.1137 -149136.1556 298.8033 94.8699 127.7101 557751.7247 -5.2986 -5.0482 PRESSURE: 2216800 -461.973 -143.267 59.5071 -143.268 -99.8148 -17.3573 59.5063 -17.3574 373.813 GPRESSURE: 2216800 -380.907 -108.484 76.699 -121.998 -99.9944 2.60103 20.9019 -43.2947 391.12 PRESSAVG: 2216800 -58.3045 12.4748 49.9389 12.4747 -49.1952 36.5387 49.9389 36.5387 118.966 GPRESSAVG: 2216800 -57.8305 12.7937 48.1465 12.6079 -49.6263 36.8071 51.9758 34.5315 118.678 TIMING: 2216800 CPU: 6618.98, 0.00297755/step Wall: 6618.98, 0.00297755/step, 2.30197 hours remaining, 209.671875 MB of memory in use. ENERGY: 2216800 746.5072 2064.0481 1966.9980 98.6442 -206372.6781 17804.7669 0.0000 0.0000 34168.2150 -149523.4988 298.3995 -183691.7137 -149420.5631 298.9089 -62.6583 -29.9271 558223.0691 3.8222 3.7404 PRESSURE: 2217000 -77.1078 62.7836 -37.9191 62.7835 -103.386 56.7175 -37.9179 56.7163 -169.788 GPRESSURE: 2217000 -45.5925 39.7172 -65.7893 117.938 -20.3187 -41.5146 -14.1937 21.5981 -194.088 PRESSAVG: 2217000 -5.77364 12.6606 18.1298 12.6607 -68.4952 -3.45788 18.1299 -3.45785 62.1744 GPRESSAVG: 2217000 -5.57082 10.911 20.0196 12.2073 -68.5676 -4.93595 17.129 -3.71647 62.135 TIMING: 2217000 CPU: 6619.57, 0.00296828/step Wall: 6619.57, 0.00296828/step, 2.29465 hours remaining, 209.671875 MB of memory in use. ENERGY: 2217000 746.0253 2117.2821 1929.3760 126.7443 -206358.9128 17747.3959 0.0000 0.0000 34123.5110 -149568.5783 298.0091 -183692.0893 -149473.7852 298.0107 -116.7605 -86.6664 557638.5942 -4.0315 -4.0012 PRESSURE: 2217200 -172.952 -71.1751 28.5484 -71.174 -228.294 7.03978 28.5483 7.03958 234.588 GPRESSURE: 2217200 -182.49 -6.08315 78.0647 -108.544 -203.294 20.1279 5.44777 71.3066 298.476 PRESSAVG: 2217200 -45.7455 7.91012 45.7587 7.91016 -24.5684 -48.5819 45.7587 -48.5819 73.8629 GPRESSAVG: 2217200 -47.1289 10.2168 45.6596 8.96276 -24.3099 -45.3797 46.6687 -48.0976 74.4615 TIMING: 2217200 CPU: 6620.16, 0.00296172/step Wall: 6620.16, 0.00296172/step, 2.28941 hours remaining, 209.671875 MB of memory in use. ENERGY: 2217200 741.4640 2077.8240 1920.3361 113.5625 -206346.3407 17858.3676 0.0000 0.0000 34192.7921 -149441.9945 298.6142 -183634.7865 -149345.5644 298.3323 -55.5528 -29.1025 557530.2974 1.1830 1.0076 PRESSURE: 2217400 -61.3111 11.1403 -5.27136 11.1403 36.5618 -29.3528 -5.27133 -29.3545 -376.537 GPRESSURE: 2217400 0.490063 -4.74813 -13.3497 57.677 97.172 15.5322 34.1711 -69.9741 -391.129 PRESSAVG: 2217400 -59.2891 -12.1437 24.1572 -12.1436 65.1442 62.9167 24.1572 62.9167 -2.86465 GPRESSAVG: 2217400 -57.0908 -14.0139 22.1208 -11.6127 65.0293 60.2804 23.0708 62.5222 -5.23523 TIMING: 2217400 CPU: 6620.76, 0.00296174/step Wall: 6620.76, 0.00296174/step, 2.28926 hours remaining, 209.671875 MB of memory in use. ENERGY: 2217400 740.5088 2075.7809 1924.6640 123.7558 -206235.5429 17729.9254 0.0000 0.0000 34159.1464 -149481.7617 298.3203 -183640.9080 -149388.7007 298.5169 -133.7620 -97.8223 557988.9208 0.9968 0.9011 PRESSURE: 2217600 169.324 39.0377 -152.854 39.0377 28.4965 11.318 -152.855 11.3164 4.45155 GPRESSURE: 2217600 217.609 56.8594 -159.522 -38.1191 67.9055 -21.6476 -193.75 38.0363 8.339 PRESSAVG: 2217600 -4.50115 -26.6669 -28.5997 -26.6669 47.9274 29.0656 -28.5997 29.0656 -42.7638 GPRESSAVG: 2217600 -4.55398 -25.3517 -25.914 -27.0221 46.9061 29.2049 -29.1516 29.7066 -41.5065 TIMING: 2217600 CPU: 6621.34, 0.00293581/step Wall: 6621.34, 0.00293581/step, 2.26905 hours remaining, 209.671875 MB of memory in use. ENERGY: 2217600 734.4509 2069.5293 1924.8459 105.6663 -206277.6367 17930.5352 0.0000 0.0000 34181.4321 -149331.1770 298.5149 -183512.6091 -149237.0117 298.4312 67.4241 97.9513 558030.9525 0.2208 0.2819 PRESSURE: 2217800 140.688 5.98445 -83.1938 5.98439 114.149 -27.5857 -83.1938 -27.5847 345.951 GPRESSURE: 2217800 141.762 -56.0343 -69.8782 59.6957 188.787 -56.4107 -98.6188 -50.895 351.644 PRESSAVG: 2217800 -18.7836 38.1061 -25.0311 38.106 0.547979 -6.3695 -25.0311 -6.36953 0.377943 GPRESSAVG: 2217800 -19.0866 36.2536 -27.0234 39.995 0.449745 -4.94511 -24.5021 -6.84624 0.802677 TIMING: 2217800 CPU: 6621.94, 0.0029652/step Wall: 6621.94, 0.0029652/step, 2.29161 hours remaining, 209.671875 MB of memory in use. ENERGY: 2217800 779.1012 2078.9746 1919.1574 108.1746 -207046.8738 18322.7473 0.0000 0.0000 34311.4242 -149527.2946 299.6502 -183838.7188 -149427.9599 299.0192 200.2625 227.3976 556679.1851 -5.9526 -5.9447 PRESSURE: 2218000 -232.718 60.7238 -28.1505 60.7243 -208.934 11.8351 -28.152 11.837 -268.524 GPRESSURE: 2218000 -209.271 105.864 -122.858 -68.3366 -158.517 59.6667 23.1061 -25.5711 -242.969 PRESSAVG: 2218000 -19.1229 4.10027 11.6609 4.10012 -21.6995 -11.9153 11.6609 -11.9153 45.8134 GPRESSAVG: 2218000 -19.6013 3.90708 11.999 4.15883 -20.6252 -14.4902 13.3139 -11.3699 44.7502 TIMING: 2218000 CPU: 6622.53, 0.00298824/step Wall: 6622.53, 0.00298824/step, 2.30924 hours remaining, 209.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2218000 741.3782 2119.3732 1956.6626 107.5104 -206001.4392 17498.4025 0.0000 0.0000 34169.1746 -149408.9377 298.4079 -183578.1123 -149306.8041 298.1649 -236.7250 -203.5858 559202.9443 1.6637 1.5079 PRESSURE: 2218200 45.8536 -67.4931 3.26649 -67.4931 -473.2 -83.6994 3.26762 -83.6988 -64.2455 GPRESSURE: 2218200 81.5281 -110.871 -18.7261 -21.5146 -407.001 -93.9252 32.8417 -101.261 -78.386 PRESSAVG: 2218200 51.4639 15.6748 -12.4476 15.6748 -73.5644 6.98074 -12.4476 6.98065 -15.782 GPRESSAVG: 2218200 51.0968 16.3087 -11.9848 15.3638 -74.2121 8.7079 -12.6444 6.98229 -14.8107 TIMING: 2218200 CPU: 6623.13, 0.00297386/step Wall: 6623.13, 0.00297386/step, 2.29796 hours remaining, 209.671875 MB of memory in use. ENERGY: 2218200 769.7328 2148.3559 1939.0223 116.2600 -205809.3448 17536.6101 0.0000 0.0000 33833.8768 -149465.4868 295.4797 -183299.3636 -149370.0302 298.5988 -163.8640 -134.6198 556974.5100 -12.6275 -12.6420 PRESSURE: 2218400 -71.2033 -103.845 -5.47349 -103.844 -271.991 70.2022 -5.47189 70.201 -120.982 GPRESSURE: 2218400 -60.2625 -20.5419 -51.4321 -127.127 -237.062 60.9977 59.8653 113.472 -73.4051 PRESSAVG: 2218400 -40.5883 7.02353 -24.7441 7.02349 68.0506 -4.57411 -24.744 -4.574 28.4 GPRESSAVG: 2218400 -40.3548 7.4217 -25.0333 6.53164 67.9916 -5.02296 -26.3224 -6.91408 27.9118 TIMING: 2218400 CPU: 6623.72, 0.00296404/step Wall: 6623.72, 0.00296404/step, 2.29021 hours remaining, 209.671875 MB of memory in use. ENERGY: 2218400 756.0665 2205.3144 1965.1042 114.1936 -206227.1745 17557.8722 0.0000 0.0000 34384.0922 -149244.5313 300.2848 -183628.6234 -149149.3451 299.6954 -154.7256 -123.5766 556555.0517 18.6208 18.5162 PRESSURE: 2218600 55.3724 -44.7947 -12.1706 -44.7956 156.461 -9.18531 -12.1704 -9.18486 102.995 GPRESSURE: 2218600 115.11 -45.9361 -56.1038 9.02997 176.872 -76.7382 -68.4593 83.6509 111.802 PRESSAVG: 2218600 38.7882 -84.5891 -6.26014 -84.589 2.0122 -25.7412 -6.26011 -25.7411 -10.9085 GPRESSAVG: 2218600 39.4586 -85.5034 -5.8191 -84.3014 1.60172 -25.5181 -5.80274 -24.104 -11.4688 TIMING: 2218600 CPU: 6624.32, 0.00299431/step Wall: 6624.32, 0.00299431/step, 2.31344 hours remaining, 209.671875 MB of memory in use. ENERGY: 2218600 740.8620 2143.4493 1937.3697 111.0449 -206386.7476 17942.6260 0.0000 0.0000 34123.5061 -149387.8896 298.0091 -183511.3957 -149297.0161 299.0478 104.9428 134.5949 556420.9754 9.9640 9.8638 PRESSURE: 2218800 -100.656 -128.21 89.8182 -128.209 -29.5723 55.4167 89.8174 55.4174 -19.9238 GPRESSURE: 2218800 -85.301 -146.985 -36.5887 -139.909 13.8937 73.447 58.3742 -29.6707 26.484 PRESSAVG: 2218800 3.37788 2.1684 -17.7552 2.16837 33.7552 -19.0809 -17.7553 -19.0808 -29.488 GPRESSAVG: 2218800 2.77683 2.14744 -18.1963 1.6506 33.7734 -17.9121 -17.734 -19.3421 -29.2126 TIMING: 2218800 CPU: 6624.92, 0.0029845/step Wall: 6624.92, 0.0029845/step, 2.30569 hours remaining, 209.671875 MB of memory in use. ENERGY: 2218800 741.0143 2143.9966 1919.6804 113.9364 -206327.0062 17739.1332 0.0000 0.0000 34404.2265 -149265.0188 300.4607 -183669.2453 -149166.9152 298.9577 -50.0507 -14.9745 557187.9706 2.5483 2.4459 PRESSURE: 2219000 135.958 -107.532 -12.6102 -107.531 91.2829 -10.9102 -12.609 -10.9101 278.613 GPRESSURE: 2219000 212.858 -96.6059 22.6942 -162.304 52.4039 -36.9657 21.3161 54.7189 340.311 PRESSAVG: 2219000 8.44022 -31.7199 -53.8406 -31.7199 41.1361 25.6068 -53.8406 25.6068 -52.8009 GPRESSAVG: 2219000 8.4776 -30.9925 -53.3786 -31.2829 41.0698 22.4029 -54.7774 27.036 -52.9344 TIMING: 2219000 CPU: 6625.51, 0.00295932/step Wall: 6625.51, 0.00295931/step, 2.28607 hours remaining, 209.671875 MB of memory in use. ENERGY: 2219000 715.1174 2119.2698 1935.2556 114.1231 -206464.2685 17914.2810 0.0000 0.0000 34307.9068 -149358.3147 299.6195 -183666.2216 -149262.7172 299.3149 168.6180 201.8575 556256.2371 -1.0749 -1.1290 PRESSURE: 2219200 -188.869 -80.0142 178.701 -80.0155 4.75892 -12.886 178.701 -12.8857 -247.55 GPRESSURE: 2219200 -185.822 -79.3513 109.422 -32.2916 52.8093 11.5652 252.299 -12.9519 -192.827 PRESSAVG: 2219200 41.7731 -57.0852 34.3273 -57.0852 -1.01858 8.07244 34.3272 8.07257 -34.7513 GPRESSAVG: 2219200 42.0526 -56.8557 34.8142 -57.6532 -0.918671 9.91914 35.8705 6.51637 -34.8698 TIMING: 2219200 CPU: 6626.1, 0.00297254/step Wall: 6626.1, 0.00297254/step, 2.29612 hours remaining, 209.671875 MB of memory in use. ENERGY: 2219200 738.9504 2077.6252 1922.0105 116.1738 -206347.5338 17686.0094 0.0000 0.0000 34318.0456 -149488.7189 299.7080 -183806.7645 -149390.9168 298.7605 -143.8868 -108.6132 556507.0894 2.0011 2.0881 PRESSURE: 2219400 146.911 -11.5146 -62.1419 -11.5142 52.101 -40.8853 -62.1431 -40.8882 -7.19964 GPRESSURE: 2219400 166.562 73.2268 -31.1334 -72.7258 87.425 -154.712 -22.1939 -37.6677 28.2856 PRESSAVG: 2219400 -24.0021 0.687843 31.3328 0.687759 26.6723 6.16104 31.3329 6.16094 -1.49084 GPRESSAVG: 2219400 -24.2287 -0.213432 31.1601 1.25247 27.452 6.80389 29.0197 7.39897 -1.63531 TIMING: 2219400 CPU: 6626.69, 0.00294815/step Wall: 6626.69, 0.00294815/step, 2.27712 hours remaining, 209.671875 MB of memory in use. ENERGY: 2219400 765.2537 2053.4571 1911.8739 96.7358 -206444.0364 17986.3658 0.0000 0.0000 34264.7300 -149365.6202 299.2424 -183630.3502 -149272.2912 298.5949 63.9376 94.0907 557996.9571 0.3931 0.5293 PRESSURE: 2219600 -130.729 -48.225 -13.4362 -48.2248 -85.812 -45.0104 -13.436 -45.0095 -64.6265 GPRESSURE: 2219600 -99.9393 -145.346 3.25367 14.2394 -79.6327 -30.2531 -47.2271 -39.5012 -7.15478 PRESSAVG: 2219600 13.3979 3.34067 55.7544 3.3406 8.9019 -6.01687 55.7543 -6.01682 -12.0771 GPRESSAVG: 2219600 13.4897 5.04709 57.794 2.98736 8.93106 -4.98222 56.2911 -7.90102 -11.9901 TIMING: 2219600 CPU: 6627.29, 0.00296459/step Wall: 6627.29, 0.00296459/step, 2.28965 hours remaining, 209.671875 MB of memory in use. ENERGY: 2219600 766.5100 2016.7543 1928.0698 122.9506 -205919.5955 17593.8650 0.0000 0.0000 34117.5412 -149373.9046 297.9570 -183491.4458 -149284.0610 299.2085 -93.7226 -62.2423 557342.8466 3.4076 3.4769 PRESSURE: 2219800 106.584 -45.0633 202.265 -45.0623 -227.784 54.195 202.265 54.196 93.2121 GPRESSURE: 2219800 124.273 -112.041 220.304 -102.235 -202.737 -5.71343 157.783 40.516 144.661 PRESSAVG: 2219800 8.60617 -22.1563 31.8928 -22.1563 -20.4513 -27.9572 31.8927 -27.9574 11.0747 GPRESSAVG: 2219800 9.42704 -23.5188 31.8289 -24.0528 -22.2893 -28.0857 32.5841 -25.5139 11.2723 TIMING: 2219800 CPU: 6627.88, 0.00295335/step Wall: 6627.88, 0.00295335/step, 2.28081 hours remaining, 209.671875 MB of memory in use. ENERGY: 2219800 760.7359 2140.5647 1913.1525 114.5641 -206474.2959 17852.5234 0.0000 0.0000 34330.1590 -149362.5963 299.8138 -183692.7552 -149260.6589 299.8703 -9.3292 22.0661 556116.3034 -0.2568 -0.5300 PRESSURE: 2220000 211.517 37.2011 173.699 37.2019 96.4745 -39.0975 173.697 -39.0979 -7.54714 GPRESSURE: 2220000 232.21 -21.8684 172.081 53.7551 105.779 -56.7308 139.022 -47.1749 57.3367 PRESSAVG: 2220000 19.2399 -32.0645 52.7963 -32.0644 -47.0492 -25.4936 52.7963 -25.4936 65.8334 GPRESSAVG: 2220000 17.1211 -32.2901 51.5057 -30.8222 -45.5585 -28.2186 52.5605 -25.5777 66.4764 TIMING: 2220000 CPU: 6628.47, 0.00295631/step Wall: 6628.47, 0.00295631/step, 2.28292 hours remaining, 209.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2220000 733.3892 2082.5778 1938.3208 111.2690 -206241.4705 17778.6090 0.0000 0.0000 34273.0493 -149324.2553 299.3151 -183597.3047 -149219.9833 299.4920 100.1482 131.7752 556105.6271 12.6747 12.6797 PRESSURE: 2220200 -156.426 -121.021 31.5202 -121.022 201.008 -13.6584 31.52 -13.6574 140.866 GPRESSURE: 2220200 -100.27 -171.462 14.0002 -113.468 225.935 77.5082 -60.9707 -16.4364 164.556 PRESSAVG: 2220200 -58.1801 -9.66859 53.9133 -9.66857 11.5771 -11.2636 53.9133 -11.2636 41.1069 GPRESSAVG: 2220200 -57.9266 -10.3012 54.6612 -7.492 11.1865 -8.80189 54.2988 -12.9986 40.4282 TIMING: 2220200 CPU: 6629.06, 0.00297375/step Wall: 6629.06, 0.00297375/step, 2.29623 hours remaining, 209.671875 MB of memory in use. ENERGY: 2220200 732.2737 2038.9678 1931.2065 105.6419 -206682.0539 17912.7048 0.0000 0.0000 34393.3666 -149567.8926 300.3658 -183961.2592 -149468.2042 298.6566 61.8162 96.7404 556870.0583 -1.8320 -2.1040 LDB: ============= START OF LOAD BALANCING ============== 6632.61 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6632.61 LDB: =============== DONE WITH MIGRATION ================ 6632.61 LDB: ============= START OF LOAD BALANCING ============== 6632.91 LDB: Largest compute 4773 load 0.031049 is 26.3% of average load 0.118172 LDB: Average compute 0.001726 is 1.5% of average load 0.118172 LDB: TIME 6632.92 LOAD: AVG 0.118172 MAX 0.201587 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 6632.92 LOAD: AVG 0.118172 MAX 0.201587 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206 MB LDB: TIME 6632.92 LOAD: AVG 0.118172 MAX 0.201587 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6632.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6632.92 PRESSURE: 2220400 -209.61 63.8668 90.5808 63.8681 91.7364 115.893 90.5812 115.891 -87.9241 GPRESSURE: 2220400 -182.932 78.0864 69.9105 16.7008 107.523 105.723 144.185 28.95 -10.018 PRESSAVG: 2220400 -60.0288 -63.2888 61.7384 -63.2887 -3.04769 40.9834 61.7384 40.9833 66.5376 GPRESSAVG: 2220400 -60.2031 -61.9721 60.0429 -63.9952 -3.42957 38.7151 63.2967 42.4931 66.0959 TIMING: 2220400 CPU: 6629.67, 0.00305483/step Wall: 6629.67, 0.00305483/step, 2.35867 hours remaining, 206.714844 MB of memory in use. ENERGY: 2220400 762.6126 2074.0685 1924.1982 110.7280 -206142.3620 17777.2546 0.0000 0.0000 34063.1650 -149430.3350 297.4821 -183493.5001 -149334.9590 299.1009 -68.5992 -28.4756 555475.3277 1.1537 0.8211 PRESSURE: 2220600 -11.3564 -67.0938 -150.8 -67.0931 -39.945 -92.7703 -150.8 -92.7713 -8.87647 GPRESSURE: 2220600 9.81264 6.91665 -192.684 9.18509 -28.3795 -46.5902 -65.8187 -102.143 59.7164 PRESSAVG: 2220600 -6.77356 -4.46845 36.7105 -4.46849 -25.9988 19.4489 36.7105 19.449 17.7125 GPRESSAVG: 2220600 -6.64915 -4.8903 37.5548 -5.94456 -26.9287 20.41 33.4182 18.8162 19.1271 TIMING: 2220600 CPU: 6630.27, 0.00297788/step Wall: 6630.27, 0.00297788/step, 2.29909 hours remaining, 206.714844 MB of memory in use. ENERGY: 2220600 754.1657 2057.5369 1936.6558 123.1549 -206316.5833 17825.9699 0.0000 0.0000 34118.2602 -149500.8401 297.9633 -183619.1002 -149406.8431 298.9202 -20.0593 13.7165 555609.2302 -5.0200 -4.8169 PRESSURE: 2220800 -167.183 25.047 -35.449 25.0472 86.6977 0.860952 -35.4487 0.861823 -144.076 GPRESSURE: 2220800 -146.396 69.1958 -22.5259 -21.0781 111.009 78.5754 -39.4516 -59.7131 -108.162 PRESSAVG: 2220800 -6.89308 -1.58262 23.8282 -1.58261 -15.02 -15.4045 23.8281 -15.4046 43.3402 GPRESSAVG: 2220800 -5.86909 -2.0649 26.1092 -2.02124 -15.0585 -14.3158 25.9267 -17.2865 42.3505 TIMING: 2220800 CPU: 6630.86, 0.00297695/step Wall: 6630.86, 0.00297695/step, 2.2982 hours remaining, 206.714844 MB of memory in use. ENERGY: 2220800 768.8575 2110.0431 1941.9340 113.2234 -206318.6394 17752.1896 0.0000 0.0000 34203.3886 -149429.0031 298.7067 -183632.3917 -149341.2380 298.6401 -74.8538 -47.8493 556018.5365 7.1424 7.1410 PRESSURE: 2221000 -23.7929 -209.376 91.4068 -209.376 -40.098 -105.667 91.407 -105.667 164.548 GPRESSURE: 2221000 18.7843 -203.939 116.55 -190.455 -11.4665 -6.23946 132.733 -109.64 199.774 PRESSAVG: 2221000 44.3435 -30.12 40.8814 -30.12 4.95378 10.4686 40.8815 10.4686 -3.86369 GPRESSAVG: 2221000 41.9817 -29.1174 37.1381 -29.9146 6.04739 9.05446 40.0136 13.2857 -2.21715 TIMING: 2221000 CPU: 6631.46, 0.00296968/step Wall: 6631.46, 0.00296968/step, 2.29243 hours remaining, 206.714844 MB of memory in use. ENERGY: 2221000 737.3400 2093.8040 1911.6864 110.8876 -206419.4070 17961.0945 0.0000 0.0000 34234.9060 -149369.6884 298.9819 -183604.5945 -149275.4353 299.0521 33.5522 69.0307 558520.9441 15.1445 15.2706 PRESSURE: 2221200 -31.1049 -161.858 47.3074 -161.86 43.8794 -165.552 47.3077 -165.552 152.507 GPRESSURE: 2221200 53.1971 -159.034 130.254 -136.727 78.1716 -82.9332 66.2379 -208.596 121.802 PRESSAVG: 2221200 -37.5182 -25.6352 70.1812 -25.6353 6.38273 -33.6991 70.1812 -33.6992 51.7369 GPRESSAVG: 2221200 -36.7813 -25.9342 74.0508 -23.4371 6.91717 -32.5295 70.4377 -33.399 49.7288 TIMING: 2221200 CPU: 6632.06, 0.00300463/step Wall: 6632.06, 0.00300463/step, 2.31924 hours remaining, 206.753906 MB of memory in use. ENERGY: 2221200 738.9173 2056.6274 1940.5823 105.8328 -206348.6550 17876.3938 0.0000 0.0000 34355.0825 -149275.2189 300.0315 -183630.3014 -149182.9196 299.4913 55.0940 84.3902 556821.4742 6.8671 6.6216 PRESSURE: 2221400 -92.1489 -30.1684 128.126 -30.1674 50.2863 39.5147 128.127 39.5145 -141.025 GPRESSURE: 2221400 -72.9442 -103.94 93.4571 62.1482 67.4336 76.4638 144.977 70.0152 -86.1273 PRESSAVG: 2221400 16.7934 -43.3128 74.6965 -43.3128 -20.4731 -78.1624 74.6965 -78.1623 -7.34059 GPRESSAVG: 2221400 16.2634 -43.5107 72.3006 -43.8473 -21.0818 -79.173 75.2484 -80.0383 -6.47512 TIMING: 2221400 CPU: 6632.65, 0.00298141/step Wall: 6632.65, 0.00298141/step, 2.30115 hours remaining, 206.753906 MB of memory in use. ENERGY: 2221400 772.8893 2076.7079 1911.9119 113.8329 -205961.2685 17558.8970 0.0000 0.0000 34155.1699 -149371.8597 298.2856 -183527.0296 -149272.7150 299.5869 -60.9626 -30.5460 558205.0751 -3.6734 -3.7645 PRESSURE: 2221600 27.7425 111.318 59.4206 111.319 -217.937 58.3651 59.4206 58.3659 20.9354 GPRESSURE: 2221600 38.24 48.1112 20.8745 111.066 -194.31 108.649 9.222 70.951 91.9232 PRESSAVG: 2221600 -32.093 -5.59834 48.399 -5.59829 13.6667 3.6369 48.399 3.63698 72.305 GPRESSAVG: 2221600 -32.267 -5.24988 47.6501 -7.71127 13.5077 1.70148 48.2542 4.98826 72.6748 TIMING: 2221600 CPU: 6633.25, 0.00297839/step Wall: 6633.25, 0.00297839/step, 2.29865 hours remaining, 206.753906 MB of memory in use. ENERGY: 2221600 758.1993 2079.0370 1936.8176 122.3862 -206425.5275 17751.4319 0.0000 0.0000 34406.4634 -149371.1921 300.4802 -183777.6555 -149276.3309 299.3903 -56.4197 -21.3823 557701.2108 17.9596 17.9718 PRESSURE: 2221800 -48.4497 -140.075 -60.8429 -140.075 -22.3274 113.508 -60.8435 113.508 -138.346 GPRESSURE: 2221800 -58.1908 -154.63 -28.7011 -35.7065 52.2816 148.646 -93.4226 111.083 -100.465 PRESSAVG: 2221800 -57.5847 -67.8865 58.3674 -67.8865 37.2193 8.2384 58.3674 8.23839 59.4468 GPRESSAVG: 2221800 -56.9108 -66.1757 61.3586 -68.0891 37.0743 10.8358 56.8406 6.635 59.5931 TIMING: 2221800 CPU: 6633.85, 0.0029772/step Wall: 6633.85, 0.00297721/step, 2.29758 hours remaining, 206.753906 MB of memory in use. ENERGY: 2221800 734.5485 2044.2564 1952.8945 106.9860 -206321.2937 17907.4400 0.0000 0.0000 34397.0192 -149178.1490 300.3977 -183575.1682 -149078.8313 299.9736 -69.7076 -35.4582 557823.7485 13.0271 13.2522 PRESSURE: 2222000 128.573 -68.0765 129.89 -68.0769 -67.0495 154.478 129.889 154.478 -89.2816 GPRESSURE: 2222000 133.651 -68.5794 122.337 -94.0334 -30.8594 112.688 51.5999 180.808 -29.2046 PRESSAVG: 2222000 -3.07249 -29.1753 0.086109 -29.1753 25.8319 52.4221 0.0860707 52.4223 -36.4517 GPRESSAVG: 2222000 -2.92825 -30.0339 -1.79739 -27.942 26.3164 51.6216 1.67454 52.5472 -36.8761 TIMING: 2222000 CPU: 6634.44, 0.00296857/step Wall: 6634.44, 0.00296857/step, 2.29075 hours remaining, 206.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2222000 756.5635 2097.2680 1930.4265 110.3474 -206174.1186 17857.5277 0.0000 0.0000 34295.4041 -149126.5814 299.5103 -183421.9855 -149026.3305 299.8942 -9.2528 24.5289 558134.8566 -4.5641 -4.4960 PRESSURE: 2222200 -211.152 75.6205 126.785 75.6223 -97.534 -6.48353 126.784 -6.4823 -105.863 GPRESSURE: 2222200 -179.776 -2.75913 107.878 85.8174 -121.372 -35.3555 34.5722 77.4134 -6.71943 PRESSAVG: 2222200 -42.7257 35.5257 1.76574 35.5258 -64.7722 13.6992 1.76566 13.6992 74.9716 GPRESSAVG: 2222200 -44.2937 34.5084 2.4856 34.7616 -64.0957 13.3738 -0.309754 14.4109 75.752 TIMING: 2222200 CPU: 6635.03, 0.00295851/step Wall: 6635.03, 0.00295851/step, 2.28282 hours remaining, 206.753906 MB of memory in use. ENERGY: 2222200 696.3676 2112.5101 1913.6913 118.0238 -205635.5540 17508.7855 0.0000 0.0000 34196.6692 -149089.5066 298.6480 -183286.1758 -148994.1870 299.7182 -138.1829 -102.6226 557411.4406 -10.8421 -10.8791 PRESSURE: 2222400 27.1408 124.95 94.8132 124.95 -28.4213 -9.40719 94.8132 -9.40757 -86.8242 GPRESSURE: 2222400 124.091 197.03 149.851 167.03 -42.2534 46.354 131.978 -33.3442 -79.7486 PRESSAVG: 2222400 -52.6204 37.5836 -7.00762 37.5836 28.3753 -39.7826 -7.00768 -39.7827 3.62556 GPRESSAVG: 2222400 -51.1816 37.7376 -8.55891 38.9998 27.4231 -37.5352 -4.70135 -40.8929 3.62168 TIMING: 2222400 CPU: 6635.63, 0.00296848/step Wall: 6635.63, 0.00296848/step, 2.29035 hours remaining, 206.820312 MB of memory in use. ENERGY: 2222400 785.3569 2031.0803 1947.4586 113.3042 -206144.9459 17912.7476 0.0000 0.0000 34331.3889 -149023.6093 299.8246 -183354.9982 -148928.3326 299.4950 -29.3682 0.6964 557518.5491 -6.8732 -6.7123 PRESSURE: 2222600 70.4197 -44.8115 28.55 -44.811 73.9438 -33.7416 28.5501 -33.7406 33.621 GPRESSURE: 2222600 66.484 -114.626 -23.1552 -36.1124 138.201 87.1549 -27.5313 -86.6116 66.429 PRESSAVG: 2222600 -12.3583 66.2393 25.6869 66.2393 -7.28524 17.3519 25.6869 17.352 27.5677 GPRESSAVG: 2222600 -12.5058 65.6491 27.8512 66.8511 -5.64658 15.9609 23.5194 18.9105 26.4222 TIMING: 2222600 CPU: 6636.22, 0.00296479/step Wall: 6636.22, 0.00296479/step, 2.28734 hours remaining, 206.820312 MB of memory in use. ENERGY: 2222600 757.1511 2067.1097 1922.9546 115.8897 -206041.5372 17816.1811 0.0000 0.0000 34222.8877 -149139.3633 298.8770 -183362.2510 -149038.9760 299.6087 59.3281 90.3714 556966.9014 2.6414 2.7566 PRESSURE: 2222800 211.417 -74.7994 62.4273 -74.8005 -74.2311 -65.539 62.4273 -65.5388 -48.8247 GPRESSURE: 2222800 220.03 -93.9094 6.55552 11.4316 -54.2577 -127.382 99.3339 -63.7558 9.5888 PRESSAVG: 2222800 55.4539 -12.7968 20.5082 -12.7968 -35.3281 -103.44 20.5081 -103.44 -16.4853 GPRESSAVG: 2222800 55.5442 -12.174 17.532 -14.4208 -35.0842 -103.341 21.2725 -103.153 -16.7178 TIMING: 2222800 CPU: 6636.81, 0.00294938/step Wall: 6636.81, 0.00294938/step, 2.27528 hours remaining, 206.820312 MB of memory in use. ENERGY: 2222800 767.9647 2064.3511 1931.2573 100.6050 -206273.4297 17960.1854 0.0000 0.0000 34286.9128 -149162.1534 299.4361 -183449.0662 -149061.7104 299.4986 29.4537 58.4538 557260.0700 1.2135 1.2474 PRESSURE: 2223000 -62.5143 37.1929 123.569 37.1923 -169.543 -61.7087 123.569 -61.7092 128.474 GPRESSURE: 2223000 -6.41791 83.3033 173.671 91.6856 -133.029 -65.9864 65.9408 -48.366 134.253 PRESSAVG: 2223000 -38.7715 0.336524 22.807 0.336652 -16.1407 -36.4977 22.8071 -36.4978 40.2096 GPRESSAVG: 2223000 -39.0577 0.731146 23.5099 1.56777 -17.5487 -34.9295 23.0788 -39.7524 41.6033 TIMING: 2223000 CPU: 6637.4, 0.00295689/step Wall: 6637.4, 0.00295689/step, 2.28091 hours remaining, 206.820312 MB of memory in use. ENERGY: 2223000 741.3711 2125.2512 1945.7007 115.8884 -206024.8437 17682.8145 0.0000 0.0000 34424.0114 -148989.8065 300.6335 -183413.8179 -148892.0738 300.0282 -34.5276 -1.7314 557416.8167 -4.9009 -5.0010 PRESSURE: 2223200 -234.213 -83.5813 144.087 -83.5806 -298.897 165.889 144.087 165.889 -185.969 GPRESSURE: 2223200 -204.614 -13.4718 75.9825 -102.775 -230.754 115.999 141.035 185.495 -187.203 PRESSAVG: 2223200 26.2976 55.6754 18.082 55.6754 -88.7394 5.09061 18.082 5.09047 55.8345 GPRESSAVG: 2223200 26.4868 55.22 18.793 55.0574 -89.6744 5.72715 18.2277 5.56577 56.589 TIMING: 2223200 CPU: 6637.99, 0.00293266/step Wall: 6637.99, 0.00293266/step, 2.26206 hours remaining, 206.820312 MB of memory in use. ENERGY: 2223200 754.2194 2094.7753 1926.4791 107.9951 -205562.3881 17342.5518 0.0000 0.0000 34330.6970 -149005.6703 299.8185 -183336.3673 -148907.8020 299.6960 -239.6933 -207.5237 558682.7197 -2.2024 -2.1995 PRESSURE: 2223400 118.269 -132.627 58.5425 -132.627 -2.42468 -140.885 58.5433 -140.884 65.3285 GPRESSURE: 2223400 100.6 -120.905 48.2568 -136.366 101.121 -196.029 64.3575 -156.729 55.9332 PRESSAVG: 2223400 50.8006 8.86361 -52.8008 8.86354 -18.3404 -36.0641 -52.8008 -36.0641 -23.441 GPRESSAVG: 2223400 50.5313 7.5315 -53.35 8.19299 -17.2169 -37.2501 -53.5115 -36.1981 -24.3228 TIMING: 2223400 CPU: 6638.58, 0.00295176/step Wall: 6638.58, 0.00295176/step, 2.27663 hours remaining, 206.820312 MB of memory in use. ENERGY: 2223400 785.2203 2074.6640 1909.5830 109.6831 -206306.5213 17947.7765 0.0000 0.0000 34582.8452 -148896.7491 302.0206 -183479.5943 -148806.0393 300.1249 60.3909 85.8846 557415.7917 3.0064 2.9972 PRESSURE: 2223600 -44.1752 -42.7176 154.554 -42.7175 129.441 41.2029 154.554 41.2033 52.1968 GPRESSURE: 2223600 12.2474 -71.5093 162.132 43.627 120.564 52.5326 123.103 69.7799 102.696 PRESSAVG: 2223600 -21.7195 -51.3217 -35.9146 -51.3217 42.1556 -20.6197 -35.9146 -20.6197 26.8419 GPRESSAVG: 2223600 -23.2989 -50.0317 -36.3867 -49.3195 42.9326 -20.7387 -34.1607 -19.6951 27.6368 TIMING: 2223600 CPU: 6639.17, 0.00296175/step Wall: 6639.17, 0.00296175/step, 2.28417 hours remaining, 206.820312 MB of memory in use. ENERGY: 2223600 764.5576 2076.3222 1913.7178 108.4708 -205921.0215 17832.1022 0.0000 0.0000 34386.0668 -148839.7842 300.3021 -183225.8510 -148745.1155 300.3576 45.8208 78.5025 557532.2275 15.7593 15.7568 PRESSURE: 2223800 -70.1219 53.5889 -49.9274 53.5866 110.593 -87.7849 -49.9281 -87.7853 41.0899 GPRESSURE: 2223800 -34.1793 -3.16224 33.2335 121.864 117.108 87.5976 -139.244 -74.4113 102.97 PRESSAVG: 2223800 8.95322 5.54741 -66.2467 5.54737 5.14174 -20.6612 -66.2467 -20.6612 56.764 GPRESSAVG: 2223800 9.21834 5.25287 -64.3376 4.50118 4.93856 -20.6014 -67.9611 -20.7167 57.0928 TIMING: 2223800 CPU: 6639.76, 0.0029499/step Wall: 6639.76, 0.0029499/step, 2.27487 hours remaining, 206.820312 MB of memory in use. ENERGY: 2223800 757.0665 2078.0515 1890.4655 95.4615 -206400.1499 18039.8869 0.0000 0.0000 34487.3825 -149051.8355 301.1869 -183539.2180 -148955.6748 300.0663 27.1870 61.9663 558567.4013 23.6196 23.7499 PRESSURE: 2224000 -99.5162 -40.9761 26.4588 -40.9757 -282.904 199.845 26.4591 199.844 -4.82587 GPRESSURE: 2224000 -31.4362 21.8022 -51.2431 -65.6839 -246.453 216.565 72.7658 175.919 -6.80101 PRESSAVG: 2224000 -4.57257 18.3448 -36.0914 18.3448 16.6976 -44.2639 -36.0914 -44.2638 -33.7953 GPRESSAVG: 2224000 -3.3105 18.4132 -36.05 18.8101 16.1942 -46.8669 -35.6483 -42.9748 -34.4549 TIMING: 2224000 CPU: 6640.35, 0.00295971/step Wall: 6640.35, 0.00295971/step, 2.28226 hours remaining, 206.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2224000 767.7375 2068.4379 1940.7807 110.5659 -205967.4961 17704.0204 0.0000 0.0000 34382.8363 -148993.1175 300.2739 -183375.9538 -148898.2887 300.1324 -129.0820 -94.8967 557414.2760 -7.2234 -7.1904 PRESSURE: 2224200 -241.016 26.969 19.6604 26.968 138.491 -22.2258 19.6602 -22.2254 109.98 GPRESSURE: 2224200 -189.952 2.82466 -29.2991 40.259 162.004 8.63361 45.9652 43.3675 136.666 PRESSAVG: 2224200 19.7667 46.9219 35.1264 46.9219 -54.2525 -17.9521 35.1264 -17.952 48.5392 GPRESSAVG: 2224200 18.3673 47.9436 33.2055 46.0006 -53.8495 -15.0171 35.5223 -19.2895 49.2024 TIMING: 2224200 CPU: 6640.94, 0.00296957/step Wall: 6640.94, 0.00296957/step, 2.2897 hours remaining, 206.820312 MB of memory in use. ENERGY: 2224200 746.7403 2074.5360 1926.7534 115.3400 -205883.1431 17681.0685 0.0000 0.0000 34206.8599 -149131.8450 298.7370 -183338.7049 -149034.1942 300.0304 2.4852 36.2393 556365.9309 4.6844 4.5734 LDB: ============= START OF LOAD BALANCING ============== 6644.49 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6644.49 LDB: =============== DONE WITH MIGRATION ================ 6644.49 LDB: ============= START OF LOAD BALANCING ============== 6644.79 LDB: Largest compute 4773 load 0.028963 is 24.5% of average load 0.118262 LDB: Average compute 0.001724 is 1.5% of average load 0.118262 LDB: TIME 6644.79 LOAD: AVG 0.118262 MAX 0.202439 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 6644.79 LOAD: AVG 0.118262 MAX 0.202439 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.43 MB LDB: TIME 6644.79 LOAD: AVG 0.118262 MAX 0.202439 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6644.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6644.8 PRESSURE: 2224400 -86.5616 -160.899 45.5243 -160.899 -296.858 -4.75141 45.5242 -4.75022 -30.3412 GPRESSURE: 2224400 -53.3452 -257.351 157.87 -224.037 -272.34 -82.3218 -26.1404 -7.15232 14.2646 PRESSAVG: 2224400 -46.5607 38.5632 4.71454 38.5632 -43.7467 9.49543 4.71463 9.49546 48.639 GPRESSAVG: 2224400 -45.6043 35.7261 8.94896 38.4686 -44.0237 7.6346 2.64503 10.9059 47.9519 TIMING: 2224400 CPU: 6641.55, 0.00301416/step Wall: 6641.55, 0.00301416/step, 2.32391 hours remaining, 207.226562 MB of memory in use. ENERGY: 2224400 777.0341 2100.7243 1942.3225 106.9327 -206416.3714 17732.8389 0.0000 0.0000 34458.3632 -149298.1557 300.9335 -183756.5189 -149212.0605 300.0682 -137.9202 -103.8068 557168.6531 -13.8895 -13.8920 PRESSURE: 2224600 64.4944 -122.648 92.549 -122.647 -114.953 135.964 92.5502 135.962 -32.1833 GPRESSURE: 2224600 101.184 -179.709 130.303 -127.63 -50.9487 169.035 119.919 22.1705 -29.1358 PRESSAVG: 2224600 -14.5671 5.34971 -70.8941 5.34973 -0.537904 34.3743 -70.8941 34.3743 20.2057 GPRESSAVG: 2224600 -15.0556 7.35918 -73.9502 5.60224 -0.265475 33.5889 -68.2604 33.4706 20.0726 TIMING: 2224600 CPU: 6642.14, 0.00297382/step Wall: 6642.14, 0.00297382/step, 2.29265 hours remaining, 207.226562 MB of memory in use. ENERGY: 2224600 722.8696 2086.0856 1944.9139 120.6796 -206339.1029 17880.5038 0.0000 0.0000 34075.8548 -149508.1957 297.5929 -183584.0505 -149413.3124 298.9082 -27.5473 7.0332 556458.8075 1.7002 1.5838 PRESSURE: 2224800 -10.6227 -83.187 14.0129 -83.186 -202.763 37.2354 14.0124 37.2354 106.157 GPRESSURE: 2224800 38.5077 -113.195 -0.0560829 -127.532 -176.566 123.33 -26.1836 53.2209 137.116 PRESSAVG: 2224800 15.5749 -39.6478 21.3947 -39.6478 -47.8444 20.7633 21.3948 20.7634 -1.71044 GPRESSAVG: 2224800 14.636 -40.7174 20.2325 -40.9363 -48.231 22.1301 21.3075 21.3644 -0.372066 TIMING: 2224800 CPU: 6642.73, 0.00296028/step Wall: 6642.73, 0.00296028/step, 2.28205 hours remaining, 207.226562 MB of memory in use. ENERGY: 2224800 710.7904 2140.3351 1911.2436 122.9830 -206516.9230 17817.7453 0.0000 0.0000 34265.9812 -149547.8444 299.2533 -183813.8256 -149451.4282 298.6698 -35.7429 -0.3142 557067.1532 -11.3266 -11.3223 PRESSURE: 2225000 -96.6204 -21.9732 -77.055 -21.9732 1.97116 -182.47 -77.0547 -182.469 -177.344 GPRESSURE: 2225000 -1.98722 16.5149 -101.042 18.9232 -13.5403 -147.874 -19.5407 -66.6375 -162.199 PRESSAVG: 2225000 51.3354 -3.88692 -24.9282 -3.887 -6.04402 -9.37694 -24.9282 -9.37692 8.35474 GPRESSAVG: 2225000 53.8667 -0.915591 -21.7545 -3.35134 -7.32855 -11.2291 -25.0936 -9.46283 7.36055 TIMING: 2225000 CPU: 6643.33, 0.0029811/step Wall: 6643.33, 0.0029811/step, 2.29793 hours remaining, 207.226562 MB of memory in use. ENERGY: 2225000 732.4280 2095.2365 1883.8302 116.0568 -206253.0253 17693.3361 0.0000 0.0000 34302.2271 -149429.9106 299.5699 -183732.1378 -149336.0050 298.4638 -90.6644 -59.2421 556897.4556 17.8820 17.9662 PRESSURE: 2225200 -6.6614 -82.4769 62.0305 -82.4765 82.2623 17.3751 62.0294 17.3748 -37.9298 GPRESSURE: 2225200 -21.7343 -91.5897 101.894 13.1633 105.723 -27.024 2.58551 123.937 29.7438 PRESSAVG: 2225200 69.6017 -36.0705 23.2581 -36.0704 29.0463 35.3847 23.2581 35.3847 -90.0042 GPRESSAVG: 2225200 67.9098 -37.039 21.6726 -36.0492 31.0982 35.6993 21.3472 36.1516 -90.0481 TIMING: 2225200 CPU: 6643.93, 0.00298496/step Wall: 6643.93, 0.00298496/step, 2.30074 hours remaining, 207.226562 MB of memory in use. ENERGY: 2225200 744.4827 2065.3622 1931.2637 119.5867 -206368.5600 17767.3312 0.0000 0.0000 34366.2842 -149374.2493 300.1293 -183740.5336 -149272.6908 299.3064 12.5570 37.9110 557147.6495 2.8812 2.9867 PRESSURE: 2225400 -41.865 -84.0463 123.221 -84.047 -147.192 -62.9248 123.222 -62.9247 30.4712 GPRESSURE: 2225400 17.1926 -75.6123 132.435 -110.639 -145.182 -66.698 94.5574 -53.1129 67.9147 PRESSAVG: 2225400 -86.6811 14.0163 34.2972 14.0163 51.3283 9.20302 34.2971 9.20302 6.78506 GPRESSAVG: 2225400 -85.7758 13.2039 34.356 13.5717 50.0101 7.11492 35.0971 9.77372 7.23941 TIMING: 2225400 CPU: 6644.53, 0.00299005/step Wall: 6644.53, 0.00299005/step, 2.30449 hours remaining, 207.226562 MB of memory in use. ENERGY: 2225400 752.5350 2083.2543 1900.6147 110.9221 -206368.9538 17829.4973 0.0000 0.0000 34029.3908 -149662.7395 297.1871 -183692.1303 -149569.1820 298.2462 -52.8620 -20.0249 557930.5419 -9.5226 -9.5087 PRESSURE: 2225600 78.8618 0.291523 77.9552 0.293173 -101.871 3.17433 77.9555 3.1739 -51.6163 GPRESSURE: 2225600 70.0525 5.66119 130.735 25.6314 -56.7777 -38.0047 77.6196 9.38752 10.8872 PRESSAVG: 2225600 17.3512 -12.7719 38.4232 -12.772 74.0902 1.34406 38.4231 1.34403 -46.9151 GPRESSAVG: 2225600 16.424 -13.0234 38.5242 -11.0587 75.0556 3.45243 38.2024 -0.105027 -47.1136 TIMING: 2225600 CPU: 6645.12, 0.00297893/step Wall: 6645.12, 0.00297893/step, 2.29576 hours remaining, 207.226562 MB of memory in use. ENERGY: 2225600 747.4844 2096.8482 1935.1993 104.1756 -206336.8322 17754.5571 0.0000 0.0000 34240.8746 -149457.6931 299.0341 -183698.5676 -149364.2771 298.0954 -24.8752 8.0540 557577.2901 14.8421 14.7887 PRESSURE: 2225800 141.684 27.3749 33.3967 27.3762 117.739 -26.7223 33.3967 -26.722 -317.668 GPRESSURE: 2225800 151.252 101.605 50.1084 -7.03978 187.089 -12.6392 30.4895 -46.4027 -300.302 PRESSAVG: 2225800 -52.9042 -53.9588 14.3101 -53.9588 47.5435 -30.2561 14.3102 -30.256 -23.1254 GPRESSAVG: 2225800 -52.6461 -52.7969 13.1658 -56.8189 47.9707 -28.8757 15.2237 -31.3483 -24.0161 TIMING: 2225800 CPU: 6645.72, 0.00300222/step Wall: 6645.72, 0.00300221/step, 2.31354 hours remaining, 207.226562 MB of memory in use. ENERGY: 2225800 724.6651 2068.9165 1910.4186 115.3446 -206119.0047 17709.0294 0.0000 0.0000 34268.3430 -149322.2875 299.2740 -183590.6304 -149226.0647 298.2948 -19.4149 12.6796 558729.7289 -9.4954 -9.5638 PRESSURE: 2226000 -160.069 -167.061 51.1862 -167.061 -14.549 312.842 51.1865 312.84 -150.439 GPRESSURE: 2226000 -71.9889 -123.689 5.21715 -244.471 33.9634 338.114 61.3882 298.096 -185.355 PRESSAVG: 2226000 -1.64985 -19.0475 36.2697 -19.0475 49.7982 -3.39073 36.2697 -3.39079 -39.0098 GPRESSAVG: 2226000 -0.742657 -18.9493 36.9973 -17.3733 48.0182 -4.14375 36.7895 -1.84253 -38.1172 TIMING: 2226000 CPU: 6646.32, 0.00299081/step Wall: 6646.32, 0.00299081/step, 2.30458 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2226000 759.6717 2092.0181 1903.0126 102.9112 -206087.6066 17639.0351 0.0000 0.0000 34290.0555 -149300.9025 299.4636 -183590.9579 -149206.6914 299.2953 -108.3523 -74.4600 556720.4866 3.0462 3.0528 PRESSURE: 2226200 244.973 -110.373 132.618 -110.371 -15.8291 -323.163 132.617 -323.161 186.079 GPRESSURE: 2226200 249.691 -86.8007 95.4226 -122.971 34.5535 -323.945 140.218 -303.222 235.017 PRESSAVG: 2226200 33.8535 14.8132 7.54408 14.8132 -2.37427 -19.5542 7.54405 -19.5543 19.5945 GPRESSAVG: 2226200 33.615 12.2824 9.2315 15.1669 -2.82967 -20.4274 6.91903 -21.8849 20.358 TIMING: 2226200 CPU: 6646.91, 0.00295794/step Wall: 6646.91, 0.00295794/step, 2.27909 hours remaining, 207.226562 MB of memory in use. ENERGY: 2226200 737.6610 2063.8304 1927.6359 112.4424 -205914.7103 17684.4396 0.0000 0.0000 34274.2235 -149114.4774 299.3253 -183388.7009 -149012.8072 298.7899 138.4077 173.0870 555721.1022 17.0246 17.0478 PRESSURE: 2226400 -8.13694 13.2166 20.1424 13.2174 291.997 -19.3687 20.143 -19.3687 -50.261 GPRESSURE: 2226400 28.7744 -36.478 -8.32203 50.6791 272.722 -30.6699 -34.6542 -91.7642 25.7975 PRESSAVG: 2226400 45.6001 -28.9323 77.1432 -28.9324 10.1814 -21.8277 77.1433 -21.8276 -81.1671 GPRESSAVG: 2226400 45.7336 -27.7491 75.4974 -27.2816 11.0172 -22.2575 78.2867 -20.3394 -82.1558 TIMING: 2226400 CPU: 6647.5, 0.00294315/step Wall: 6647.5, 0.00294315/step, 2.26753 hours remaining, 207.226562 MB of memory in use. ENERGY: 2226400 755.0409 2124.4924 1906.1221 111.9302 -206556.2291 18017.7814 0.0000 0.0000 34372.9605 -149267.9018 300.1876 -183640.8622 -149171.6599 298.8691 77.8664 109.0979 556666.5404 -8.4619 -8.4683 PRESSURE: 2226600 195.745 15.3975 8.69668 15.398 -13.0554 -139.94 8.69537 -139.94 67.1905 GPRESSURE: 2226600 252.631 15.258 4.76882 64.4231 22.5438 -112.132 17.9986 -49.1336 65.697 PRESSAVG: 2226600 -5.84285 -18.992 11.2691 -18.992 -8.69782 20.1237 11.2691 20.1238 31.474 GPRESSAVG: 2226600 -5.71758 -19.1935 10.7104 -21.5764 -8.62124 19.8795 9.16106 19.6805 31.3124 TIMING: 2226600 CPU: 6648.09, 0.00295681/step Wall: 6648.09, 0.00295681/step, 2.27789 hours remaining, 207.226562 MB of memory in use. ENERGY: 2226600 699.1627 2042.7442 1915.1664 104.3789 -205883.5164 17847.6014 0.0000 0.0000 34126.3871 -149148.0758 298.0342 -183274.4629 -149050.7015 299.6035 83.2935 113.6239 556813.4362 5.6445 5.6579 PRESSURE: 2226800 92.5337 -147.267 80.5944 -147.266 200.455 -24.5151 80.5939 -24.5143 -40.5884 GPRESSURE: 2226800 109.662 -95.6072 62.9862 -130.669 262.713 -28.6309 59.0757 -30.7939 -26.6505 PRESSAVG: 2226800 85.9607 -16.7087 12.7819 -16.7087 -53.3443 3.79645 12.7819 3.79644 -15.8897 GPRESSAVG: 2226800 84.1137 -19.3561 12.6877 -15.1083 -54.0356 5.29742 14.4486 3.49549 -13.8152 TIMING: 2226800 CPU: 6648.68, 0.00292318/step Wall: 6648.68, 0.00292318/step, 2.25182 hours remaining, 207.226562 MB of memory in use. ENERGY: 2226800 743.6183 2112.9144 1920.0749 114.9991 -205901.6103 17841.6696 0.0000 0.0000 34017.7435 -149150.5906 297.0854 -183168.3341 -149052.5966 299.2611 84.1333 115.2416 557278.1370 5.5756 5.4210 PRESSURE: 2227000 -164.994 -57.9421 -168.185 -57.942 -120.299 200.635 -168.186 200.634 -104.076 GPRESSURE: 2227000 -142.121 -69.2202 -128.1 -71.6277 -57.5905 211.576 -159.171 173.578 -87.3694 PRESSAVG: 2227000 45.7222 5.39433 32.0334 5.39439 -11.8778 -0.720682 32.0333 -0.720699 -41.4416 GPRESSAVG: 2227000 46.2658 7.93725 35.0634 3.21421 -10.74 -1.90378 30.0646 -0.424001 -42.8766 TIMING: 2227000 CPU: 6649.26, 0.00293925/step Wall: 6649.26, 0.00293925/step, 2.26404 hours remaining, 207.226562 MB of memory in use. ENERGY: 2227000 719.1984 2094.3273 1932.0225 105.0610 -206074.9565 17670.0618 0.0000 0.0000 34344.8945 -149209.3910 299.9425 -183554.2855 -149108.7024 299.4473 -129.7899 -95.6937 558070.1894 -2.5324 -2.4503 PRESSURE: 2227200 -74.2202 51.229 4.56506 51.2302 -92.6033 -109.028 4.56582 -109.029 -22.2677 GPRESSURE: 2227200 -38.9313 0.823926 11.4073 117.575 -125.466 -155.712 -8.09748 -82.5119 73.8531 PRESSAVG: 2227200 -25.5854 27.2156 -40.4042 27.2155 -6.05601 24.9653 -40.4042 24.9653 23.5869 GPRESSAVG: 2227200 -26.0421 25.35 -42.2905 29.1414 -6.46169 25.6722 -38.7073 24.2895 24.9117 TIMING: 2227200 CPU: 6649.85, 0.00295186/step Wall: 6649.85, 0.00295186/step, 2.27359 hours remaining, 207.226562 MB of memory in use. ENERGY: 2227200 744.6898 2121.8863 1943.6782 119.5917 -206168.5991 17707.0633 0.0000 0.0000 34392.0514 -149139.6383 300.3543 -183531.6897 -149043.9820 299.0817 -63.0304 -30.1815 557906.1430 -2.6849 -2.5307 PRESSURE: 2227400 91.1674 -141.274 57.8625 -141.275 180.025 25.7008 57.8604 25.7006 -98.3723 GPRESSURE: 2227400 125.9 -90.8863 53.5649 -215.831 216.211 36.8606 68.868 59.4852 -78.8364 PRESSAVG: 2227400 10.0982 -20.3189 25.0268 -20.3189 20.1397 -15.3559 25.0269 -15.3558 -41.6764 GPRESSAVG: 2227400 11.0051 -19.1183 23.0961 -20.3441 20.0139 -15.5973 23.859 -16.6424 -42.2424 TIMING: 2227400 CPU: 6650.45, 0.0029555/step Wall: 6650.45, 0.0029555/step, 2.27623 hours remaining, 207.226562 MB of memory in use. ENERGY: 2227400 748.3010 2077.7757 1923.4370 114.3067 -206395.8424 17869.0917 0.0000 0.0000 34579.7853 -149083.1449 301.9939 -183662.9302 -148980.6063 299.5235 57.6067 87.7583 556602.4265 -3.8128 -3.7411 PRESSURE: 2227600 -146.083 95.4172 178.717 95.4164 -107.187 -19.8544 178.718 -19.8546 -84.718 GPRESSURE: 2227600 -152.84 62.4587 155.065 101.301 -83.7516 -62.6316 174.3 -22.4484 -7.76456 PRESSAVG: 2227600 50.0098 24.4829 57.8324 24.483 -39.8962 -43.3739 57.8323 -43.374 -11.5901 GPRESSAVG: 2227600 48.9473 22.6578 59.4536 23.4414 -39.3046 -40.877 60.1194 -42.2404 -11.1274 TIMING: 2227600 CPU: 6651.04, 0.00295669/step Wall: 6651.04, 0.00295669/step, 2.27698 hours remaining, 207.226562 MB of memory in use. ENERGY: 2227600 737.2550 2124.0741 1933.4448 107.7375 -205878.6314 17571.4044 0.0000 0.0000 34426.3294 -148978.3861 300.6537 -183404.7156 -148883.2002 300.1806 -112.6626 -81.4522 557807.7971 -0.4921 -0.4949 PRESSURE: 2227800 36.1591 -38.8403 56.696 -38.8417 -176.274 -150.538 56.6948 -150.537 96.9604 GPRESSURE: 2227800 15.0945 24.1236 40.4447 -19.5056 -107.215 -85.152 96.3451 -183.025 144.291 PRESSAVG: 2227800 64.8407 -7.48912 41.1033 -7.48898 -8.10539 -15.0157 41.1032 -15.0155 -50.7222 GPRESSAVG: 2227800 64.2991 -5.92274 39.9395 -8.75014 -7.74978 -16.2845 38.724 -14.9735 -50.3 TIMING: 2227800 CPU: 6651.63, 0.00295966/step Wall: 6651.63, 0.00295966/step, 2.2791 hours remaining, 207.226562 MB of memory in use. ENERGY: 2227800 724.7633 2094.8135 1925.6908 115.4208 -206280.1991 17848.8168 0.0000 0.0000 34390.2152 -149180.4787 300.3383 -183570.6939 -149082.9675 300.0818 -14.3848 17.3903 557841.1687 2.0044 2.0831 PRESSURE: 2228000 194.964 -112.05 43.2523 -112.051 -93.9845 -244.081 43.2518 -244.082 -180.408 GPRESSURE: 2228000 279.311 -100.598 88.8442 -115.306 -114.967 -146.951 -5.53177 -306.033 -147.605 PRESSAVG: 2228000 26.8151 -15.3555 48.0539 -15.3555 -20.6009 -17.0915 48.054 -17.0915 -3.44989 GPRESSAVG: 2228000 28.2254 -14.1336 47.5275 -14.2781 -21.4275 -18.4605 48.4506 -15.7677 -4.18186 TIMING: 2228000 CPU: 6652.22, 0.00296681/step Wall: 6652.22, 0.00296681/step, 2.28445 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2228000 771.0128 2097.4477 1898.4284 121.5016 -206147.5420 17850.9339 0.0000 0.0000 34188.2691 -149219.9487 298.5747 -183408.2177 -149128.9176 299.6122 -26.4762 5.5801 558384.7386 0.9215 0.8720 PRESSURE: 2228200 -24.7973 -119.854 -165.971 -119.854 2.69315 113.042 -165.972 113.043 -299.598 GPRESSURE: 2228200 9.59548 -220.669 -162.398 -37.166 13.2829 32.4879 -95.5289 116.045 -250.579 PRESSAVG: 2228200 -32.2324 1.11228 -8.59263 1.11227 75.7076 -27.7015 -8.59272 -27.7015 -53.6869 GPRESSAVG: 2228200 -31.2674 -0.160932 -9.7382 1.68807 76.0058 -28.9226 -7.05237 -27.9988 -54.406 TIMING: 2228200 CPU: 6652.81, 0.00296544/step Wall: 6652.81, 0.00296544/step, 2.28323 hours remaining, 207.226562 MB of memory in use. ENERGY: 2228200 743.7972 2083.7537 1929.0716 103.1969 -205898.5941 17718.5658 0.0000 0.0000 34249.7416 -149070.4673 299.1115 -183320.2089 -148963.6445 299.6387 -107.2339 -75.9003 558682.3742 -3.4039 -3.2225 LDB: ============= START OF LOAD BALANCING ============== 6656.37 LDB: ============== END OF LOAD BALANCING =============== 6656.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6656.37 LDB: ============= START OF LOAD BALANCING ============== 6656.66 LDB: Largest compute 4773 load 0.029384 is 24.9% of average load 0.118112 LDB: Average compute 0.001714 is 1.5% of average load 0.118112 LDB: TIME 6656.67 LOAD: AVG 0.118112 MAX 0.202629 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 6656.67 LOAD: AVG 0.118112 MAX 0.202629 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 6656.67 LOAD: AVG 0.118112 MAX 0.202629 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6656.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6656.67 PRESSURE: 2228400 207.103 56.2027 51.0493 56.2026 161.25 -301.151 51.0502 -301.152 174.79 GPRESSURE: 2228400 287.224 103.39 9.27897 87.9895 190.842 -368.03 31.857 -184.21 163.396 PRESSAVG: 2228400 10.7469 -39.4788 6.28074 -39.4788 -8.56129 48.9789 6.2808 48.9788 -71.1399 GPRESSAVG: 2228400 8.54714 -39.4991 8.22837 -38.3576 -8.66716 50.5611 4.16019 48.7846 -69.284 TIMING: 2228400 CPU: 6653.42, 0.0030339/step Wall: 6653.42, 0.0030339/step, 2.33576 hours remaining, 207.226562 MB of memory in use. ENERGY: 2228400 745.7864 2088.4858 1909.6479 127.6698 -206208.3157 18125.5950 0.0000 0.0000 34264.2899 -148946.8408 299.2386 -183211.1308 -148852.8757 299.3145 181.0476 213.8205 558217.7805 -22.9848 -23.1347 PRESSURE: 2228600 -270.205 -122.057 -27.8469 -122.057 -32.577 -3.68795 -27.8457 -3.68891 13.0714 GPRESSURE: 2228600 -227.288 -77.0582 -36.0044 -83.0998 -6.78791 -8.81448 7.05814 -96.5387 43.8002 PRESSAVG: 2228600 27.0288 -41.201 1.32687 -41.2009 -53.0556 -10.1949 1.32677 -10.195 -38.7183 GPRESSAVG: 2228600 27.2819 -41.9202 0.497451 -42.7468 -52.787 -10.075 2.74806 -11.575 -39.0762 TIMING: 2228600 CPU: 6654.02, 0.00296675/step Wall: 6654.02, 0.00296676/step, 2.28391 hours remaining, 207.226562 MB of memory in use. ENERGY: 2228600 735.8918 2035.2809 1947.3942 100.8122 -205420.4165 17440.1998 0.0000 0.0000 34381.1707 -148779.6668 300.2593 -183160.8375 -148683.2518 300.0213 -96.5703 -63.4253 558658.2838 -21.5817 -21.5271 PRESSURE: 2228800 -96.5736 18.2304 52.5026 18.229 -217.364 99.9837 52.502 99.9853 -242.65 GPRESSURE: 2228800 -123.68 100.062 33.8934 24.1207 -176.183 182.748 21.6436 26.5718 -165.909 PRESSAVG: 2228800 -7.23085 -13.6417 39.9306 -13.6416 -38.4393 24.4022 39.9305 24.4022 64.3383 GPRESSAVG: 2228800 -6.90457 -12.0659 40.5482 -15.4372 -38.6164 23.9012 40.49 26.9288 64.5825 TIMING: 2228800 CPU: 6654.61, 0.00296099/step Wall: 6654.61, 0.00296099/step, 2.2793 hours remaining, 207.226562 MB of memory in use. ENERGY: 2228800 778.9938 2069.5568 1920.6017 107.9528 -205371.9715 17410.8975 0.0000 0.0000 34408.3474 -148675.6215 300.4967 -183083.9689 -148586.1594 300.7367 -185.5293 -155.2571 557797.3611 6.2227 6.3539 PRESSURE: 2229000 -51.3155 14.1798 -79.9182 14.1784 -57.6928 144.701 -79.9188 144.7 -180.921 GPRESSURE: 2229000 24.1467 -58.7317 -23.6103 53.8221 -94.5486 217.774 -96.7385 37.6478 -127.581 PRESSAVG: 2229000 26.5797 10.5884 3.59097 10.5883 -23.5596 12.0558 3.59099 12.0559 -11.7248 GPRESSAVG: 2229000 27.3081 8.93686 2.98369 13.9309 -23.3406 11.0118 2.69736 11.4883 -12.3189 TIMING: 2229000 CPU: 6655.2, 0.00296268/step Wall: 6655.2, 0.00296268/step, 2.28044 hours remaining, 207.226562 MB of memory in use. ENERGY: 2229000 736.6972 2075.9294 1920.0249 110.0614 -204984.4957 17254.7650 0.0000 0.0000 34316.1624 -148570.8554 299.6916 -182887.0178 -148465.9598 300.3187 -96.6430 -65.9943 557864.6734 -2.9016 -2.7838 PRESSURE: 2229200 156.637 67.5367 -22.5964 67.5377 1.74228 -40.966 -22.597 -40.9644 -198.359 GPRESSURE: 2229200 213.164 135.731 -12.1799 44.4671 54.2818 -126.977 39.6564 31.4165 -207.093 PRESSAVG: 2229200 23.9575 -15.9291 -8.0596 -15.929 -7.26574 4.73972 -8.05962 4.73964 -44.8574 GPRESSAVG: 2229200 22.7497 -14.2102 -9.1871 -17.554 -5.96608 5.82565 -7.1245 5.6924 -44.8175 TIMING: 2229200 CPU: 6655.8, 0.00298476/step Wall: 6655.8, 0.00298476/step, 2.29727 hours remaining, 207.226562 MB of memory in use. ENERGY: 2229200 758.7788 2068.4230 1917.2396 99.3143 -205639.4846 17743.5760 0.0000 0.0000 34416.3918 -148635.7610 300.5669 -183052.1529 -148541.4617 301.1496 -13.3266 20.1174 558368.2521 -9.3886 -9.3446 PRESSURE: 2229400 17.721 154.597 73.5939 154.597 -120.713 -106.688 73.5949 -106.688 -219.493 GPRESSURE: 2229400 74.3377 103.425 93.245 149.081 -85.0831 -89.2402 84.3026 -116.077 -210.252 PRESSAVG: 2229400 35.3053 17.7328 7.47947 17.733 23.1749 -73.3374 7.47941 -73.3374 -44.8415 GPRESSAVG: 2229400 35.4227 16.9598 10.683 16.0111 21.8382 -72.1173 4.79184 -71.9868 -43.7487 TIMING: 2229400 CPU: 6656.39, 0.00297862/step Wall: 6656.39, 0.00297862/step, 2.29238 hours remaining, 207.226562 MB of memory in use. ENERGY: 2229400 751.5618 2012.5613 1907.4418 113.8985 -205696.7300 17678.5051 0.0000 0.0000 34336.6573 -148896.1042 299.8706 -183232.7615 -148800.3898 300.6413 -107.4952 -73.6659 559451.4027 4.5462 4.5041 PRESSURE: 2229600 136.115 196.376 -10.8223 196.376 -4.05218 52.0109 -10.8226 52.0101 -512.26 GPRESSURE: 2229600 170.535 198.915 -16.2197 159.157 34.1615 46.4248 -49.5684 10.84 -492.793 PRESSAVG: 2229600 19.9678 51.4969 -14.7389 51.4969 19.607 -24.5816 -14.739 -24.5817 -36.7013 GPRESSAVG: 2229600 19.7233 52.3048 -16.6871 54.6755 19.9404 -24.8594 -12.5568 -26.195 -36.7508 TIMING: 2229600 CPU: 6656.99, 0.00299234/step Wall: 6656.99, 0.00299234/step, 2.30277 hours remaining, 207.226562 MB of memory in use. ENERGY: 2229600 713.1559 2045.3947 1923.8951 99.5742 -205620.8349 17687.4942 0.0000 0.0000 34278.6294 -148872.6914 299.3638 -183151.3208 -148777.8364 300.1724 -126.7323 -96.0320 560232.9995 0.9578 0.9710 PRESSURE: 2229800 290.36 31.1095 -138.816 31.1094 -182.151 -126.871 -138.818 -126.871 128.517 GPRESSURE: 2229800 267.127 14.0394 -88.8709 57.3312 -127.679 -144.949 -145.098 -133.612 177.742 PRESSAVG: 2229800 29.8301 0.238726 -38.3553 0.238737 -34.8136 8.77007 -38.3552 8.77006 23.4404 GPRESSAVG: 2229800 30.2594 -0.138466 -40.4854 -0.846302 -35.4571 9.15103 -36.9832 8.43401 23.4445 TIMING: 2229800 CPU: 6657.59, 0.00300137/step Wall: 6657.59, 0.00300137/step, 2.30956 hours remaining, 207.226562 MB of memory in use. ENERGY: 2229800 739.4346 2041.6037 1933.7293 95.5337 -206292.7768 17997.0240 0.0000 0.0000 34352.9453 -149132.5063 300.0128 -183485.4516 -149041.1209 299.4092 78.9087 105.7300 558875.3330 6.1523 6.0823 PRESSURE: 2230000 -27.6685 -28.2837 59.0054 -28.2835 -206.381 50.4128 59.0032 50.4153 -143.206 GPRESSURE: 2230000 72.7289 -108.198 34.3074 43.6516 -215.679 21.0264 39.3832 8.55617 -132.464 PRESSAVG: 2230000 -28.6063 -65.4388 22.6549 -65.4388 -64.8899 3.53175 22.6549 3.53172 58.2392 GPRESSAVG: 2230000 -28.9954 -64.6439 21.2483 -65.0495 -63.954 3.83197 22.4395 6.70835 58.0175 TIMING: 2230000 CPU: 6658.19, 0.00298675/step Wall: 6658.19, 0.00298675/step, 2.29814 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2230000 733.7854 2100.1495 1933.5962 114.6085 -205973.3586 17913.4281 0.0000 0.0000 34183.1184 -148994.6725 298.5297 -183177.7909 -148900.9565 299.4650 -125.7518 -91.8048 560508.3091 -11.7524 -11.6439 PRESSURE: 2230200 13.9688 62.8995 -38.8925 62.9009 42.0922 24.9434 -38.8918 24.9437 146.532 GPRESSURE: 2230200 67.168 73.4726 -38.8409 14.2245 72.5776 42.9326 -12.0217 -28.5121 169.5 PRESSAVG: 2230200 38.1357 -37.0198 -7.14879 -37.0198 -76.3908 -50.3804 -7.1488 -50.3802 27.6829 GPRESSAVG: 2230200 38.9547 -37.9695 -5.09664 -37.0754 -76.6553 -49.4528 -7.91212 -54.4094 27.8236 TIMING: 2230200 CPU: 6658.78, 0.00295958/step Wall: 6658.78, 0.00295958/step, 2.27707 hours remaining, 207.226562 MB of memory in use. ENERGY: 2230200 744.0403 2065.7982 1906.6891 99.1278 -205877.1679 17741.7492 0.0000 0.0000 34438.1979 -148881.5654 300.7573 -183319.7633 -148782.4714 300.3951 67.5309 103.0818 557937.4538 -3.5241 -3.2923 PRESSURE: 2230400 -135.831 -146.59 80.0403 -146.592 157.901 -196.38 80.0398 -196.381 3.34705 GPRESSURE: 2230400 -74.6759 -108.549 57.0546 -68.4206 177.537 -185.742 138.614 -213.453 21.144 PRESSAVG: 2230400 -14.3336 -27.9202 11.0413 -27.9202 -18.0116 -77.681 11.0413 -77.6811 30.8023 GPRESSAVG: 2230400 -14.4529 -26.3327 10.7037 -29.8474 -18.1346 -79.2983 12.6671 -73.8664 31.6165 TIMING: 2230400 CPU: 6659.37, 0.0029572/step Wall: 6659.37, 0.0029572/step, 2.27507 hours remaining, 207.226562 MB of memory in use. ENERGY: 2230400 717.7121 2082.9683 1925.5559 114.0970 -206010.4099 17776.8435 0.0000 0.0000 34530.7996 -148862.4335 301.5661 -183393.2331 -148763.4374 300.5533 8.4721 41.3351 558644.9345 -0.5143 -0.3237 PRESSURE: 2230600 50.5688 24.4893 -32.6665 24.4891 46.808 58.636 -32.666 58.6372 7.65917 GPRESSURE: 2230600 108.445 -41.1638 46.8043 17.778 27.4776 47.0103 -38.4958 75.6906 68.1629 PRESSAVG: 2230600 32.7964 -16.2872 -12.7417 -16.2873 -37.1864 -2.56023 -12.7417 -2.56025 20.1214 GPRESSAVG: 2230600 33.6357 -17.9642 -13.32 -15.3349 -37.6619 -2.78911 -11.7386 -4.55996 20.2995 TIMING: 2230600 CPU: 6659.97, 0.00297229/step Wall: 6659.97, 0.00297229/step, 2.28652 hours remaining, 207.226562 MB of memory in use. ENERGY: 2230600 703.5870 2065.7683 1972.6352 109.2209 -205951.4339 17820.5664 0.0000 0.0000 34428.7255 -148850.9306 300.6746 -183279.6560 -148753.6552 300.4942 35.0120 68.0286 557706.4772 5.2438 5.4244 PRESSURE: 2230800 -248.354 80.11 159.247 80.11 -118.203 -99.3053 159.248 -99.3072 -64.0838 GPRESSURE: 2230800 -164.889 67.7143 93.1212 80.7976 -83.2116 -82.9824 197.532 -65.7063 -87.056 PRESSAVG: 2230800 3.51652 -17.128 36.927 -17.128 -9.5501 -10.227 36.9269 -10.227 -5.8705 GPRESSAVG: 2230800 4.56564 -15.4985 37.8564 -17.5888 -8.14508 -8.87208 33.5983 -9.18399 -8.41066 TIMING: 2230800 CPU: 6660.56, 0.00297888/step Wall: 6660.56, 0.00297888/step, 2.29142 hours remaining, 207.226562 MB of memory in use. ENERGY: 2230800 737.3078 2064.2754 1956.1345 105.8449 -205651.6725 17498.1570 0.0000 0.0000 34426.7721 -148863.1809 300.6576 -183289.9530 -148765.9417 299.9844 -143.5468 -111.7189 559646.9242 -3.9680 -3.9967 PRESSURE: 2231000 89.6536 20.8449 -27.0023 20.8431 -151.382 11.9026 -27.0039 11.9034 -443.025 GPRESSURE: 2231000 78.1944 27.3352 -26.0078 -38.569 -87.8706 10.5942 -38.4522 -9.13006 -389.124 PRESSAVG: 2231000 33.1164 40.3232 8.67637 40.3231 -47.3844 -59.4694 8.67633 -59.4694 -21.6744 GPRESSAVG: 2231000 31.735 39.5782 9.20006 40.4364 -47.1365 -58.5778 10.3073 -60.154 -20.5217 TIMING: 2231000 CPU: 6661.16, 0.00297/step Wall: 6661.16, 0.00297/step, 2.28443 hours remaining, 207.226562 MB of memory in use. ENERGY: 2231000 747.5493 2069.1529 1916.7742 113.0486 -205785.7868 17627.7803 0.0000 0.0000 34221.0976 -149090.3839 298.8614 -183311.4814 -148991.7701 299.4701 -168.2513 -132.9335 559360.1201 -11.9808 -11.9744 PRESSURE: 2231200 23.5347 -0.875078 -207.718 -0.874907 33.5071 57.7314 -207.718 57.7306 187.231 GPRESSURE: 2231200 67.8675 -58.2926 -243.247 16.9578 28.5784 83.0033 -200.469 60.179 262.911 PRESSAVG: 2231200 -50.1684 17.2677 -25.0671 17.2676 -28.2017 -18.3537 -25.0671 -18.3536 35.1248 GPRESSAVG: 2231200 -50.1259 17.0604 -26.8125 19.6596 -29.4066 -18.501 -26.1874 -19.2458 36.306 TIMING: 2231200 CPU: 6661.75, 0.00297559/step Wall: 6661.75, 0.00297559/step, 2.28856 hours remaining, 207.226562 MB of memory in use. ENERGY: 2231200 768.9646 2112.8558 1933.0116 111.9796 -206309.6640 17974.6503 0.0000 0.0000 34213.2529 -149194.9491 298.7928 -183408.2020 -149103.4386 299.2569 81.4241 119.7855 557741.7945 -14.4151 -14.4088 PRESSURE: 2231400 -128.106 -92.3569 24.1157 -92.3571 -30.4429 52.6089 24.1151 52.6093 9.29659 GPRESSURE: 2231400 -68.6506 -105.216 27.9821 -49.8702 -12.0106 110.424 34.6454 31.9837 28.8322 PRESSAVG: 2231400 51.1343 -50.3894 13.9632 -50.3894 -62.1325 -42.8079 13.9632 -42.8079 -13.3605 GPRESSAVG: 2231400 51.0531 -50.5288 13.9198 -52.0764 -61.7654 -44.3116 14.0415 -41.0994 -14.6001 TIMING: 2231400 CPU: 6662.35, 0.00300451/step Wall: 6662.35, 0.00300451/step, 2.31064 hours remaining, 207.226562 MB of memory in use. ENERGY: 2231400 785.0374 2046.8031 1928.7354 103.6493 -206301.0304 17873.3867 0.0000 0.0000 34268.9402 -149294.4782 299.2792 -183563.4184 -149195.3452 299.1780 -49.7508 -17.2763 557354.4899 -8.1196 -8.4375 PRESSURE: 2231600 -250.175 78.0653 66.353 78.0643 138.755 -79.7952 66.3538 -79.7966 203.699 GPRESSURE: 2231600 -181.892 30.3356 36.9974 14.5996 150.876 4.51813 91.2746 -79.7644 219.08 PRESSAVG: 2231600 -10.0357 -103.769 -26.6539 -103.769 34.3287 -16.557 -26.6539 -16.557 11.0164 GPRESSAVG: 2231600 -9.07414 -104.118 -23.0765 -104.171 33.525 -15.3252 -29.1278 -18.5088 10.7556 TIMING: 2231600 CPU: 6662.95, 0.00300184/step Wall: 6662.95, 0.00300184/step, 2.30841 hours remaining, 207.226562 MB of memory in use. ENERGY: 2231600 714.0045 2050.7949 1937.8746 106.7738 -206505.9194 18030.1921 0.0000 0.0000 34245.9390 -149420.3407 299.0783 -183666.2796 -149322.2222 298.5724 30.7597 62.6880 558583.4463 11.7698 11.7355 PRESSURE: 2231800 4.73726 95.897 -5.39408 95.8963 -97.7957 43.7848 -5.39339 43.7835 133.445 GPRESSURE: 2231800 46.0096 56.9949 -75.8629 70.6385 -15.445 40.7375 18.509 70.7547 102.809 PRESSAVG: 2231800 -4.39252 -3.09307 -4.05939 -3.09306 -2.42104 11.1492 -4.05936 11.1491 7.99694 GPRESSAVG: 2231800 -5.78444 -3.86894 -5.39883 -1.95747 -1.07081 11.7813 -2.13251 10.9315 8.55016 TIMING: 2231800 CPU: 6663.55, 0.00298407/step Wall: 6663.55, 0.00298407/step, 2.29459 hours remaining, 207.226562 MB of memory in use. ENERGY: 2231800 733.6258 2049.5392 1925.1866 105.7109 -206397.7769 17940.7095 0.0000 0.0000 34393.5938 -149249.4110 300.3678 -183643.0049 -149161.7549 298.9285 13.4623 44.4579 556771.9516 0.3945 0.5650 PRESSURE: 2232000 -86.5604 -240.905 -79.1614 -240.905 -6.02572 72.2643 -79.1617 72.2646 -2.09868 GPRESSURE: 2232000 -36.2909 -125.702 -88.4651 -255.522 1.74085 90.5078 -57.4528 75.6846 33.1561 PRESSAVG: 2232000 35.4005 -20.3049 -3.69064 -20.3049 -36.1695 -29.354 -3.69072 -29.3541 16.2572 GPRESSAVG: 2232000 36.3632 -18.9048 -2.53183 -21.574 -36.4874 -29.9312 -4.17281 -29.3133 15.6639 TIMING: 2232000 CPU: 6664.15, 0.00298994/step Wall: 6664.15, 0.00298994/step, 2.29893 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2232000 761.2051 2112.5469 1929.5603 106.7036 -205799.4558 17576.9859 0.0000 0.0000 34257.6258 -149054.8283 299.1804 -183312.4540 -148959.8164 299.1383 -31.5616 -0.4646 555918.2159 5.1628 5.1799 PRESSURE: 2232200 -207.614 -60.6818 -164.131 -60.6817 -120.546 -17.8806 -164.132 -17.8811 130.508 GPRESSURE: 2232200 -172.581 -37.0203 -128.012 -49.9736 -67.6848 50.8574 -213.131 -79.2659 132.807 PRESSAVG: 2232200 -7.21581 17.8729 -8.86427 17.8729 22.1093 32.7314 -8.86426 32.7314 -50.2156 GPRESSAVG: 2232200 -7.52795 16.8827 -12.1684 18.2823 21.5435 32.1678 -7.41849 32.7261 -49.5774 TIMING: 2232200 CPU: 6664.75, 0.00302499/step Wall: 6664.75, 0.00302499/step, 2.32571 hours remaining, 207.226562 MB of memory in use. ENERGY: 2232200 731.3639 2108.9342 1941.9848 109.0901 -205902.3688 17579.4052 0.0000 0.0000 34385.9578 -149045.6329 300.3011 -183431.5907 -148948.8611 299.1836 -65.8838 -35.8198 557514.9987 -11.7741 -11.8539 LDB: ============= START OF LOAD BALANCING ============== 6668.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6668.3 LDB: =============== DONE WITH MIGRATION ================ 6668.3 LDB: ============= START OF LOAD BALANCING ============== 6668.6 LDB: Largest compute 4773 load 0.029187 is 24.7% of average load 0.118204 LDB: Average compute 0.001720 is 1.5% of average load 0.118204 LDB: TIME 6668.6 LOAD: AVG 0.118204 MAX 0.201689 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 6668.6 LOAD: AVG 0.118204 MAX 0.201689 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.918 MB LDB: TIME 6668.6 LOAD: AVG 0.118204 MAX 0.201689 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.918 MB LDB: ============== END OF LOAD BALANCING =============== 6668.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6668.61 PRESSURE: 2232400 -11.8915 139.698 -23.2454 139.697 83.8478 43.8637 -23.245 43.8642 93.3135 GPRESSURE: 2232400 -56.7543 176.538 -25.4956 196.823 195.159 50.0653 6.75708 43.0469 117.093 PRESSAVG: 2232400 60.3206 -41.5299 -31.827 -41.53 -41.8873 55.7803 -31.8271 55.7803 54.2483 GPRESSAVG: 2232400 60.1874 -41.5588 -31.1709 -41.8525 -41.6288 57.4069 -33.0116 55.3857 54.6287 TIMING: 2232400 CPU: 6665.36, 0.00302691/step Wall: 6665.36, 0.00302691/step, 2.32702 hours remaining, 207.226562 MB of memory in use. ENERGY: 2232400 738.4581 2077.0606 1949.7710 115.5233 -205869.9375 17873.6232 0.0000 0.0000 34315.2607 -148800.2407 299.6837 -183115.5014 -148709.2354 300.0584 55.0899 85.1661 558264.3935 24.2272 24.3957 PRESSURE: 2232600 -99.7475 -73.7697 14.5343 -73.7685 -66.8892 122.544 14.5333 122.546 -185.376 GPRESSURE: 2232600 -98.1249 -107.678 -63.8752 -66.3772 1.22732 47.2545 -82.0903 124.293 -161.447 PRESSAVG: 2232600 -18.0366 26.501 -79.5535 26.5009 -38.9432 -7.24307 -79.5535 -7.24312 61.9814 GPRESSAVG: 2232600 -17.4725 25.9494 -78.0799 27.4318 -38.937 -9.2087 -77.7208 -7.22842 61.5577 TIMING: 2232600 CPU: 6665.95, 0.00298285/step Wall: 6665.95, 0.00298285/step, 2.29298 hours remaining, 207.429688 MB of memory in use. ENERGY: 2232600 788.4378 2139.3576 1945.3916 130.0100 -205771.2342 17511.2384 0.0000 0.0000 34442.6897 -148814.1091 300.7966 -183256.7988 -148715.9344 300.0894 -117.3374 -86.1148 557875.1206 1.6672 1.7161 PRESSURE: 2232800 43.7718 33.1247 53.1701 33.1243 124.785 67.0314 53.1705 67.0313 127.808 GPRESSURE: 2232800 67.5211 191.374 59.4569 96.7604 143.975 58.6046 118.89 84.2402 182.985 PRESSAVG: 2232800 13.734 15.6864 -17.852 15.6863 -43.5136 9.80472 -17.8519 9.80465 59.4881 GPRESSAVG: 2232800 13.9286 16.0578 -18.4731 15.6088 -43.4767 9.46873 -17.7138 10.7601 59.2955 TIMING: 2232800 CPU: 6666.55, 0.00296612/step Wall: 6666.55, 0.00296612/step, 2.27995 hours remaining, 207.429688 MB of memory in use. ENERGY: 2232800 739.6342 2111.7355 1944.0704 118.5461 -206685.8049 18184.0352 0.0000 0.0000 34678.4815 -148909.3020 302.8558 -183587.7835 -148810.7840 301.3423 98.7880 131.4935 557791.3682 9.9029 9.9158 PRESSURE: 2233000 76.103 22.8772 61.254 22.8777 -241.889 -20.7922 61.2536 -20.7927 168.923 GPRESSURE: 2233000 69.3701 28.4829 128.577 -25.5866 -152.312 -66.7706 85.888 18.7194 194.927 PRESSAVG: 2233000 -42.5381 70.3275 1.25999 70.3275 27.2042 17.0612 1.26003 17.0612 32.6939 GPRESSAVG: 2233000 -43.4904 70.5039 -0.38072 69.5765 27.3176 17.2197 0.906968 17.039 33.945 TIMING: 2233000 CPU: 6667.14, 0.00295391/step Wall: 6667.14, 0.00295391/step, 2.27041 hours remaining, 207.429688 MB of memory in use. ENERGY: 2233000 783.1498 2109.8324 1944.2307 130.8230 -206066.6577 17951.9896 0.0000 0.0000 34288.9455 -148857.6868 299.4539 -183146.6323 -148756.2353 301.0363 1.0455 37.3285 558403.7347 5.7867 5.9240 PRESSURE: 2233200 -161.217 -54.3533 -17.7416 -54.3542 -124.916 172.615 -17.7407 172.616 44.2976 GPRESSURE: 2233200 -123.353 -133.327 15.3651 -19.4654 -119.755 250.523 36.3406 117.139 97.4262 PRESSAVG: 2233200 25.3628 33.6364 44.9075 33.6365 -39.5441 -13.1594 44.9075 -13.1593 12.3939 GPRESSAVG: 2233200 25.3889 33.8339 48.1863 33.5567 -38.8701 -13.8246 42.8599 -12.418 11.5286 TIMING: 2233200 CPU: 6667.73, 0.00295759/step Wall: 6667.73, 0.00295759/step, 2.27307 hours remaining, 207.429688 MB of memory in use. ENERGY: 2233200 751.0670 2122.4688 1942.2532 125.6106 -205702.5437 17513.0968 0.0000 0.0000 34306.7661 -148941.2813 299.6095 -183248.0474 -148845.8784 300.5270 -80.6117 -48.5607 557279.9443 -0.5958 -0.6509 PRESSURE: 2233400 25.6452 -12.0313 -42.9228 -12.0303 246.503 67.1526 -42.9219 67.1517 83.2082 GPRESSURE: 2233400 103.249 9.67751 -68.0907 62.9883 248.464 68.729 -78.797 158.884 116.746 PRESSAVG: 2233400 -31.9305 -35.8569 25.9663 -35.857 -29.9046 0.857439 25.9663 0.857354 63.0726 GPRESSAVG: 2233400 -31.0512 -34.5256 22.1343 -36.9253 -30.28 0.931503 27.4402 1.80316 63.1701 TIMING: 2233400 CPU: 6668.32, 0.00294549/step Wall: 6668.32, 0.00294549/step, 2.26361 hours remaining, 207.429688 MB of memory in use. ENERGY: 2233400 705.8273 2134.2153 1939.5588 116.2472 -205938.0072 17771.1926 0.0000 0.0000 34438.5979 -148832.3682 300.7608 -183270.9660 -148743.2510 299.9171 118.4521 156.1528 557652.0410 0.4125 0.6130 PRESSURE: 2233600 -398.476 -33.917 48.879 -33.9175 64.0568 20.998 48.8791 21.0005 -241.284 GPRESSURE: 2233600 -342.287 -71.1411 -34.9592 -55.6564 72.5422 -18.4123 147.634 31.1195 -206.589 PRESSAVG: 2233600 61.2633 14.7159 -1.77844 14.7159 3.73726 -56.9677 -1.77835 -56.9677 -23.987 GPRESSAVG: 2233600 62.3335 12.5435 -0.349434 16.5476 3.74279 -56.5559 -1.10318 -58.6054 -24.9239 TIMING: 2233600 CPU: 6668.91, 0.00293687/step Wall: 6668.91, 0.00293687/step, 2.25682 hours remaining, 207.429688 MB of memory in use. ENERGY: 2233600 745.6091 2091.1566 1920.0042 114.4267 -205861.1454 17575.7085 0.0000 0.0000 34537.3370 -148876.9033 301.6232 -183414.2404 -148779.4830 300.4750 -191.9010 -158.7779 557634.2609 13.6712 13.7175 PRESSURE: 2233800 9.71313 15.3724 106.62 15.3731 -197.416 -45.546 106.621 -45.5451 -207.88 GPRESSURE: 2233800 -3.15735 -46.1145 144.597 57.6107 -151.733 -60.9111 58.088 -41.8553 -148.956 PRESSAVG: 2233800 -52.85 -0.960249 21.7641 -0.960318 1.08157 90.5097 21.7642 90.5098 42.2834 GPRESSAVG: 2233800 -54.7663 1.08296 22.08 -0.677262 2.5447 89.7261 19.9151 93.1702 42.6542 TIMING: 2233800 CPU: 6669.49, 0.00292167/step Wall: 6669.49, 0.00292167/step, 2.24498 hours remaining, 207.429688 MB of memory in use. ENERGY: 2233800 744.0044 2102.1539 1914.3525 116.9268 -205815.6426 17510.9465 0.0000 0.0000 34308.7103 -149118.5481 299.6265 -183427.2584 -149029.7729 299.7716 -131.8609 -101.2820 557729.7564 -3.1617 -3.1892 PRESSURE: 2234000 206.44 165.55 -6.09646 165.548 127.26 98.849 -6.09802 98.8493 -105.881 GPRESSURE: 2234000 213.988 187.456 -59.5739 99.2304 179.96 49.4733 24.8303 130.504 -72.3613 PRESSAVG: 2234000 5.03119 24.7857 36.6951 24.7858 34.4457 59.3769 36.6951 59.3768 -20.9262 GPRESSAVG: 2234000 5.14207 25.4549 38.0411 23.1978 34.4279 60.3016 38.0632 56.0535 -21.3916 TIMING: 2234000 CPU: 6670.08, 0.00296464/step Wall: 6670.08, 0.00296464/step, 2.27783 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2234000 742.7399 2082.5185 1941.0773 100.6258 -206312.5357 17974.9079 0.0000 0.0000 34334.5112 -149136.1552 299.8518 -183470.6664 -149036.3429 299.9656 75.9395 107.1954 557507.7158 6.1836 6.0595 PRESSURE: 2234200 -18.6798 -171.006 -68.5797 -171.006 -90.9352 34.02 -68.5782 34.0212 30.4956 GPRESSURE: 2234200 34.8118 -175.689 -93.7359 -118.139 -75.1972 -63.549 -95.1425 140.934 64.5222 PRESSAVG: 2234200 -7.69886 1.06555 -67.581 1.06555 -20.2605 -3.60617 -67.581 -3.60623 43.754 GPRESSAVG: 2234200 -7.22505 0.447403 -69.5766 0.684136 -21.6142 -4.76439 -67.8944 -0.936233 45.0283 TIMING: 2234200 CPU: 6670.67, 0.00294705/step Wall: 6670.67, 0.00294705/step, 2.26415 hours remaining, 207.429688 MB of memory in use. ENERGY: 2234200 760.6408 2037.0587 1941.9730 122.1285 -205928.2485 17772.1572 0.0000 0.0000 34094.8835 -149199.4069 297.7591 -183294.2904 -149101.4199 299.2495 -26.3731 8.0456 557240.7586 5.2649 5.3963 PRESSURE: 2234400 -16.1342 -36.6906 45.9051 -36.6899 140.804 -127.058 45.9049 -127.059 204.207 GPRESSURE: 2234400 12.121 -33.7871 85.9592 -27.8653 167.01 -102.738 7.61512 -88.8614 252.515 PRESSAVG: 2234400 -51.992 -26.3299 -27.97 -26.33 117.299 -36.0797 -27.9701 -36.0796 -13.3279 GPRESSAVG: 2234400 -51.9201 -24.6177 -26.0526 -27.6057 118.442 -34.9985 -27.4358 -37.2726 -14.6215 TIMING: 2234400 CPU: 6671.26, 0.00294562/step Wall: 6671.26, 0.00294562/step, 2.26289 hours remaining, 207.429688 MB of memory in use. ENERGY: 2234400 736.3277 2082.7654 1922.8889 106.1304 -206217.8836 17861.7926 0.0000 0.0000 34217.1041 -149290.8745 298.8265 -183507.9786 -149194.2287 299.3282 109.6256 143.8820 556627.1664 17.3263 17.3000 PRESSURE: 2234600 -57.952 55.3584 -115.29 55.358 -178.483 -164.685 -115.289 -164.686 109.455 GPRESSURE: 2234600 -49.1523 16.524 -213.932 102.797 -70.2187 -73.6909 -74.5111 -119.768 83.4512 PRESSAVG: 2234600 -54.6995 39.3667 -19.5217 39.3667 6.45959 22.6312 -19.5217 22.6312 36.8571 GPRESSAVG: 2234600 -54.0871 37.817 -20.6506 42.5225 4.84962 23.9802 -19.4458 21.7987 37.1052 TIMING: 2234600 CPU: 6671.86, 0.00296531/step Wall: 6671.86, 0.00296531/step, 2.27785 hours remaining, 207.429688 MB of memory in use. ENERGY: 2234600 785.8304 2050.0433 1924.9158 113.7016 -206009.1196 17731.3862 0.0000 0.0000 34268.9727 -149134.2696 299.2795 -183403.2423 -149037.1976 299.0324 -42.3267 -11.9732 557499.8382 -3.7943 -4.0441 PRESSURE: 2234800 -111.451 12.597 -44.8441 12.5976 -108.465 23.2138 -44.8448 23.2131 -25.1936 GPRESSURE: 2234800 -101.497 36.4757 -38.5931 -10.4983 -38.9941 -22.3018 -56.1387 107.844 -7.96251 PRESSAVG: 2234800 -63.7398 8.42304 -27.9474 8.423 55.5773 -22.3374 -27.9474 -22.3375 1.19224 GPRESSAVG: 2234800 -63.7362 9.47271 -26.4013 4.82203 55.7058 -23.3437 -28.7025 -22.6053 0.812977 TIMING: 2234800 CPU: 6672.44, 0.00294617/step Wall: 6672.44, 0.00294617/step, 2.26299 hours remaining, 207.429688 MB of memory in use. ENERGY: 2234800 735.5701 2047.9099 1913.0680 105.1317 -206074.5678 17733.7548 0.0000 0.0000 34388.9866 -149150.1468 300.3276 -183539.1333 -149051.3974 299.5817 -81.7033 -49.4846 559503.1742 -2.3234 -2.4058 PRESSURE: 2235000 336.54 51.8402 -57.7022 51.841 34.9026 45.2314 -57.7026 45.2312 113.597 GPRESSURE: 2235000 355.717 27.1134 -136.351 100.58 59.242 32.8929 -10.3208 108.639 171.769 PRESSAVG: 2235000 55.2351 6.40599 -3.88765 6.40607 -1.90397 -34.7762 -3.88767 -34.7763 0.642769 GPRESSAVG: 2235000 54.873 5.77255 -4.72975 7.24124 -1.05435 -34.4054 -3.26394 -34.5083 -0.0919397 TIMING: 2235000 CPU: 6673.04, 0.00295419/step Wall: 6673.04, 0.00295419/step, 2.26898 hours remaining, 207.429688 MB of memory in use. ENERGY: 2235000 730.6206 2046.1500 1953.4624 98.9434 -206307.2630 18082.3410 0.0000 0.0000 34281.7197 -149114.0260 299.3908 -183395.7456 -149020.3805 299.8449 161.6798 195.5760 558488.0231 17.9913 17.9089 PRESSURE: 2235200 -115.136 36.1879 -77.5169 36.188 -229.513 -19.2051 -77.5161 -19.2065 -77.438 GPRESSURE: 2235200 -108.854 72.2698 -29.6526 86.9102 -216.323 -113.64 -88.3804 31.3627 4.79563 PRESSAVG: 2235200 -28.037 55.5898 20.0243 55.5898 18.108 20.4097 20.0244 20.4097 -31.7774 GPRESSAVG: 2235200 -27.847 56.2461 20.5927 57.1279 17.1043 19.5545 18.4567 21.6595 -31.2378 TIMING: 2235200 CPU: 6673.63, 0.00298142/step Wall: 6673.63, 0.00298142/step, 2.28973 hours remaining, 207.429688 MB of memory in use. ENERGY: 2235200 751.8096 2082.3450 1905.7845 103.4307 -205950.1938 17731.2967 0.0000 0.0000 34291.4624 -149084.0647 299.4759 -183375.5271 -148979.4654 299.5043 -140.6956 -106.7938 559671.5685 -13.9021 -13.9935 PRESSURE: 2235400 -83.5237 -12.5431 79.5029 -12.543 -122.744 24.2238 79.5022 24.224 -419.464 GPRESSURE: 2235400 16.5183 89.2497 86.1149 -58.4951 -133.938 2.11957 59.1575 64.8751 -419.621 PRESSAVG: 2235400 75.7351 55.0411 12.4424 55.0411 -39.1047 38.1661 12.4425 38.1662 -3.16902 GPRESSAVG: 2235400 75.2952 53.8299 11.4122 53.5118 -38.4049 39.1598 14.4069 36.5834 -3.58721 TIMING: 2235400 CPU: 6674.23, 0.00297645/step Wall: 6674.23, 0.00297645/step, 2.28575 hours remaining, 207.429688 MB of memory in use. ENERGY: 2235400 764.0500 2105.2790 1913.7148 128.7767 -205499.9252 17554.4390 0.0000 0.0000 34095.4490 -148938.2167 297.7640 -183033.6656 -148846.0200 299.6545 -208.5773 -179.0134 560289.8062 11.1538 11.1010 PRESSURE: 2235600 17.5204 51.1394 -58.0599 51.1406 37.9704 -74.1992 -58.0606 -74.2004 168.514 GPRESSURE: 2235600 52.7161 13.3857 41.2402 55.5224 94.6488 24.7548 -136.882 -84.591 156.191 PRESSAVG: 2235600 -10.3176 6.66598 21.4449 6.66591 -1.19144 38.6328 21.4448 38.6328 -9.16008 GPRESSAVG: 2235600 -9.49696 6.63855 22.9366 7.45452 -0.99005 38.5444 20.1751 39.3445 -9.93985 TIMING: 2235600 CPU: 6674.82, 0.00298564/step Wall: 6674.82, 0.00298564/step, 2.29264 hours remaining, 207.429688 MB of memory in use. ENERGY: 2235600 759.3948 2146.2661 1908.2795 111.9800 -206275.6500 17955.8175 0.0000 0.0000 34239.1295 -149154.7827 299.0188 -183393.9122 -149058.6805 299.6273 74.6682 101.1852 558403.1283 -6.8897 -6.8090 PRESSURE: 2235800 -141.691 -168.293 -134.011 -168.295 3.33916 44.0652 -134.011 44.0649 -5.24344 GPRESSURE: 2235800 -101.652 -100.406 -89.8106 -191.544 32.7869 55.4648 -146.34 19.3031 29.9936 PRESSAVG: 2235800 18.6385 -35.3764 33.0258 -35.3765 -26.7982 31.3912 33.0259 31.3912 26.5027 GPRESSAVG: 2235800 17.759 -34.5376 30.0265 -34.9277 -26.7635 30.3942 33.8321 30.3616 27.8828 TIMING: 2235800 CPU: 6675.42, 0.00299143/step Wall: 6675.42, 0.00299143/step, 2.29692 hours remaining, 207.429688 MB of memory in use. ENERGY: 2235800 748.5147 2125.4374 1914.4444 120.8748 -206029.6575 17708.7773 0.0000 0.0000 34305.0959 -149106.5131 299.5949 -183411.6090 -149008.0384 299.8296 -47.8650 -12.9572 558811.3848 6.1143 6.2928 PRESSURE: 2236000 51.4759 -80.9742 37.3317 -80.9745 -159.152 -28.9534 37.3315 -28.9536 -56.1586 GPRESSURE: 2236000 77.2691 -50.5755 -36.4829 -94.2071 -109.327 -28.9494 106.919 23.4151 -12.7098 PRESSAVG: 2236000 3.38932 -7.00822 -18.8122 -7.00806 -2.75147 -48.9341 -18.8122 -48.9341 22.7484 GPRESSAVG: 2236000 3.39363 -8.43788 -17.4656 -5.54148 -2.47696 -47.5884 -18.4563 -46.6979 22.9574 TIMING: 2236000 CPU: 6676.02, 0.00298911/step Wall: 6676.02, 0.00298911/step, 2.29497 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2236000 759.2417 2080.2331 1915.6162 117.1387 -205944.3314 17562.0438 0.0000 0.0000 34462.4301 -149047.6278 300.9690 -183510.0579 -148954.9761 299.7623 -54.6114 -14.9226 557725.3351 7.7954 7.9580 PRESSURE: 2236200 8.38688 -43.2152 117.318 -43.214 -164.343 -71.7267 117.318 -71.7252 -267.224 GPRESSURE: 2236200 -5.06173 -71.3588 89.4478 -28.2625 -172.792 24.6378 135.573 -152.233 -154.795 PRESSAVG: 2236200 -3.83123 -41.8529 9.32022 -41.853 -8.13196 -9.69227 9.32024 -9.69222 42.3017 GPRESSAVG: 2236200 -3.77841 -40.8002 9.03085 -43.5805 -7.99468 -11.2061 10.1795 -8.94662 42.0336 TIMING: 2236200 CPU: 6676.62, 0.00298905/step Wall: 6676.62, 0.00298905/step, 2.29476 hours remaining, 207.429688 MB of memory in use. ENERGY: 2236200 769.0920 2091.0584 1901.1148 125.6705 -206017.8213 17642.9012 0.0000 0.0000 34400.4470 -149087.5374 300.4277 -183487.9844 -148989.6744 300.5197 -141.0601 -110.8831 556475.7438 10.1128 10.0868 LDB: ============= START OF LOAD BALANCING ============== 6680.17 LDB: ============== END OF LOAD BALANCING =============== 6680.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6680.17 LDB: ============= START OF LOAD BALANCING ============== 6680.46 LDB: Largest compute 4773 load 0.031229 is 26.4% of average load 0.118237 LDB: Average compute 0.001718 is 1.5% of average load 0.118237 LDB: TIME 6680.47 LOAD: AVG 0.118237 MAX 0.203634 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 6680.47 LOAD: AVG 0.118237 MAX 0.203634 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.508 MB LDB: TIME 6680.47 LOAD: AVG 0.118237 MAX 0.203634 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.508 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6680.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6680.47 PRESSURE: 2236400 -131.609 -26.3439 296.871 -26.3431 125.706 -29.3313 296.871 -29.3305 -243.365 GPRESSURE: 2236400 -95.157 9.12901 303.689 -31.9767 150.398 -117.551 334.672 39.4295 -197.886 PRESSAVG: 2236400 -107.434 -47.3449 54.4513 -47.3448 71.5347 18.0964 54.4513 18.0965 29.562 GPRESSAVG: 2236400 -108.566 -47.6413 53.281 -47.9751 71.968 17.2005 54.0776 16.7506 30.0343 TIMING: 2236400 CPU: 6677.22, 0.00302538/step Wall: 6677.22, 0.00302538/step, 2.32249 hours remaining, 207.199219 MB of memory in use. ENERGY: 2236400 789.4963 2025.9831 1923.0544 108.3838 -205821.8675 17619.0862 0.0000 0.0000 34349.3492 -149006.5146 299.9814 -183355.8637 -148912.6777 299.8365 -83.0891 -47.5483 558305.7631 -2.1126 -2.1879 PRESSURE: 2236600 -52.2931 19.2243 -139.868 19.224 -45.951 -98.6198 -139.867 -98.6195 -205.587 GPRESSURE: 2236600 -35.9573 45.4338 -196.316 23.0969 -10.8894 -38.0371 -79.4207 -192.299 -163.129 PRESSAVG: 2236600 8.42194 -22.6477 30.657 -22.6478 37.6925 -58.5752 30.657 -58.5753 -16.0869 GPRESSAVG: 2236600 9.14224 -23.8253 32.7321 -20.0365 37.0871 -57.1929 29.048 -57.3862 -16.643 TIMING: 2236600 CPU: 6677.82, 0.0029869/step Wall: 6677.82, 0.0029869/step, 2.29278 hours remaining, 207.398438 MB of memory in use. ENERGY: 2236600 751.8025 2091.7179 1927.7880 109.0964 -205587.1418 17354.0619 0.0000 0.0000 34255.6983 -149096.9769 299.1635 -183352.6752 -148996.3471 300.5322 -101.2769 -69.9918 557579.5420 10.0092 9.8621 PRESSURE: 2236800 129.434 116.622 140.705 116.622 -203.543 -108.944 140.704 -108.942 102.786 GPRESSURE: 2236800 149.125 160.05 121.762 83.3921 -183.492 -130.038 126.64 -152.709 146.636 PRESSAVG: 2236800 -6.6287 27.9019 37.8069 27.9019 -23.3652 -28.5459 37.8069 -28.546 42.876 GPRESSAVG: 2236800 -6.4489 28.8447 37.4222 26.4099 -23.3937 -28.6144 38.1553 -29.4068 42.8605 TIMING: 2236800 CPU: 6678.42, 0.0029761/step Wall: 6678.42, 0.0029761/step, 2.28432 hours remaining, 207.398438 MB of memory in use. ENERGY: 2236800 741.8010 2064.6569 1950.5685 105.9812 -206360.4943 17877.5511 0.0000 0.0000 34593.7278 -149026.2078 302.1156 -183619.9356 -148925.9207 300.0186 9.5587 37.4229 558289.7787 4.2940 4.3393 PRESSURE: 2237000 -63.932 43.4073 35.3701 43.4068 -266.662 134.008 35.3693 134.007 -142.518 GPRESSURE: 2237000 -54.6998 -34.6169 57.0362 94.2373 -243.16 109.234 30.1515 175.911 -80.1898 PRESSAVG: 2237000 13.6522 11.0129 61.3849 11.0129 -98.8369 37.2914 61.3849 37.2915 78.8643 GPRESSAVG: 2237000 13.9316 12.3799 59.1098 10.4245 -98.5167 37.2447 62.8751 38.4446 78.7383 TIMING: 2237000 CPU: 6679.01, 0.00296831/step Wall: 6679.01, 0.00296831/step, 2.27818 hours remaining, 207.398438 MB of memory in use. ENERGY: 2237000 761.1118 2120.6224 1948.3578 113.5837 -205674.7831 17459.2988 0.0000 0.0000 34336.2190 -148935.5897 299.8667 -183271.8086 -148839.2980 299.7794 -157.7040 -126.0167 558548.0256 -2.1068 -1.9489 PRESSURE: 2237200 21.8359 66.3279 -115.168 66.3284 -193.811 -2.35392 -115.168 -2.35518 -161.026 GPRESSURE: 2237200 72.1407 76.1088 -216.459 -22.9876 -167.12 -23.7926 -63.2501 -11.3252 -163.336 PRESSAVG: 2237200 71.8094 17.7687 -28.7593 17.7687 -52.2549 17.2465 -28.7594 17.2464 -76.963 GPRESSAVG: 2237200 71.6566 15.6404 -28.163 19.2012 -53.0953 15.8696 -28.4449 18.1639 -75.742 TIMING: 2237200 CPU: 6679.6, 0.00297312/step Wall: 6679.6, 0.00297312/step, 2.2817 hours remaining, 207.398438 MB of memory in use. ENERGY: 2237200 744.7404 2097.6391 1914.0972 119.9613 -205778.0408 17577.5929 0.0000 0.0000 34325.1154 -148998.8946 299.7698 -183324.0100 -148898.4600 300.0825 -111.0002 -86.1052 557605.6800 -19.1362 -19.0602 PRESSURE: 2237400 -77.1199 66.3437 -107.657 66.3445 -100.878 -76.616 -107.658 -76.616 -199.727 GPRESSURE: 2237400 -66.6375 42.8742 -85.7826 50.2775 -91.5205 -71.9423 -119.559 -49.5975 -125.858 PRESSAVG: 2237400 -37.2947 17.6585 -14.243 17.6584 9.69719 38.2239 -14.243 38.2238 24.3298 GPRESSAVG: 2237400 -37.4747 18.368 -13.4182 16.7625 10.298 38.4703 -14.8671 38.1191 23.7459 TIMING: 2237400 CPU: 6680.2, 0.00297007/step Wall: 6680.2, 0.00297007/step, 2.2792 hours remaining, 207.398438 MB of memory in use. ENERGY: 2237400 745.9716 2054.9045 1959.2393 122.6400 -205504.0413 17364.6264 0.0000 0.0000 34322.6723 -148933.9872 299.7484 -183256.6594 -148831.2505 300.4713 -125.9085 -94.6720 556921.6425 -1.0892 -1.1436 PRESSURE: 2237600 -19.3826 12.3135 -40.0048 12.314 32.8631 27.7887 -40.0042 27.7898 -156.87 GPRESSURE: 2237600 62.3187 36.8441 -130.786 1.13934 24.8209 -12.1635 -66.7495 90.845 -136.318 PRESSAVG: 2237600 -1.40542 -5.41646 -9.15113 -5.41639 -20.4517 -15.4175 -9.15105 -15.4174 39.6736 GPRESSAVG: 2237600 -1.02131 -5.92293 -6.50451 -4.02999 -20.6486 -13.6775 -11.7106 -16.4878 38.4855 TIMING: 2237600 CPU: 6680.79, 0.00296488/step Wall: 6680.79, 0.00296488/step, 2.27505 hours remaining, 207.398438 MB of memory in use. ENERGY: 2237600 755.1552 2049.7891 1953.3174 102.4908 -205987.3295 17746.2823 0.0000 0.0000 34321.2061 -149059.0885 299.7356 -183380.2946 -148966.7799 299.7461 -47.7966 -16.3929 556635.2233 5.9388 5.6052 PRESSURE: 2237800 -161.968 -21.2776 38.5694 -21.2764 -239.598 31.5493 38.5693 31.5504 -360.601 GPRESSURE: 2237800 -123.828 -0.889633 44.7963 -26.1879 -219.454 -75.0801 2.78373 37.5007 -322.977 PRESSAVG: 2237800 38.9857 23.045 22.7479 23.0451 11.0432 19.2668 22.7479 19.2666 -38.9172 GPRESSAVG: 2237800 38.129 23.4846 20.5997 23.1339 10.8576 18.0846 24.6152 18.8359 -37.5506 TIMING: 2237800 CPU: 6681.38, 0.00295034/step Wall: 6681.38, 0.00295034/step, 2.26373 hours remaining, 207.398438 MB of memory in use. ENERGY: 2237800 759.6750 2090.9692 1934.8405 102.7223 -205961.8091 17576.7701 0.0000 0.0000 34464.0796 -149032.7524 300.9834 -183496.8319 -148932.7652 300.2319 -254.0556 -222.0865 557980.9601 3.7039 3.8120 PRESSURE: 2238000 -99.2685 33.2481 -82.9429 33.2482 36.183 -87.4003 -82.9438 -87.4001 15.1661 GPRESSURE: 2238000 -75.7615 39.0895 -87.1305 121.418 94.431 -113.06 -137.318 1.51021 11.0574 PRESSAVG: 2238000 -11.7612 -15.2091 -13.6675 -15.2091 -20.2246 2.87651 -13.6676 2.87642 18.0872 GPRESSAVG: 2238000 -11.9769 -13.9408 -13.0019 -15.2961 -21.4739 3.62257 -13.7189 4.17977 19.2488 TIMING: 2238000 CPU: 6681.97, 0.0029552/step Wall: 6681.97, 0.0029552/step, 2.26729 hours remaining, 207.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2238000 745.5264 2098.7911 1929.0142 112.8714 -206033.1921 17741.2232 0.0000 0.0000 34259.4421 -149146.3240 299.1962 -183405.7660 -149059.1188 300.0305 -15.9731 9.9090 557302.2575 -4.6329 -4.7340 PRESSURE: 2238200 124.314 -37.0156 -20.191 -37.0166 98.4007 -44.4755 -20.1905 -44.4771 -53.6266 GPRESSURE: 2238200 128.247 -14.3491 5.87925 -9.82467 191.053 -29.947 11.8758 -21.2768 -51.9333 PRESSAVG: 2238200 19.6285 22.7359 -23.4303 22.7359 -8.02671 1.3072 -23.4302 1.30712 -52.1602 GPRESSAVG: 2238200 19.1362 21.4315 -23.7064 21.2605 -6.81323 1.2314 -23.7556 1.75695 -52.7048 TIMING: 2238200 CPU: 6682.56, 0.00294945/step Wall: 6682.56, 0.00294945/step, 2.26272 hours remaining, 207.398438 MB of memory in use. ENERGY: 2238200 734.2054 2049.3204 1950.7760 106.7902 -205929.7726 17736.5366 0.0000 0.0000 34166.3908 -149185.7532 298.3836 -183352.1440 -149089.5659 299.1849 56.3627 89.1220 556305.8552 -13.5195 -13.4606 PRESSURE: 2238400 -59.8328 31.3947 99.034 31.3939 -25.538 -113.427 99.033 -113.428 144.265 GPRESSURE: 2238400 -56.8045 2.77385 108.271 41.8602 48.9649 -158.751 177.491 -64.7747 154.013 PRESSAVG: 2238400 -23.7566 -17.0866 28.1983 -17.0866 4.62152 -18.1973 28.1984 -18.1973 14.2243 GPRESSAVG: 2238400 -22.7085 -16.3255 25.7655 -18.2399 4.23793 -18.197 31.6392 -18.5589 13.2948 TIMING: 2238400 CPU: 6683.15, 0.00294797/step Wall: 6683.15, 0.00294797/step, 2.26142 hours remaining, 207.398438 MB of memory in use. ENERGY: 2238400 741.9073 2023.3220 1911.3989 90.4829 -206251.3356 17858.3688 0.0000 0.0000 34194.7541 -149431.1017 298.6313 -183625.8558 -149332.5199 299.1220 19.6315 48.7245 556716.9683 -1.6369 -1.7253 PRESSURE: 2238600 -478.23 -16.9149 131.552 -16.9136 -232.285 -54.2634 131.551 -54.262 -170.339 GPRESSURE: 2238600 -380.791 -73.3761 206.003 -32.0529 -246.832 -48.0005 66.6844 -49.7184 -154.965 PRESSAVG: 2238600 -84.5636 5.68436 -32.6871 5.68431 15.2765 8.32856 -32.6871 8.32859 46.9713 GPRESSAVG: 2238600 -84.6258 6.92534 -30.7161 7.21738 14.7729 10.3273 -35.146 5.98975 47.2909 TIMING: 2238600 CPU: 6683.74, 0.00295775/step Wall: 6683.74, 0.00295775/step, 2.26876 hours remaining, 207.398438 MB of memory in use. ENERGY: 2238600 803.5212 2044.0437 1918.9462 98.9154 -205737.8000 17343.7048 0.0000 0.0000 34188.8659 -149339.8027 298.5799 -183528.6687 -149237.3584 298.6077 -293.6180 -260.8624 556273.8870 -7.4386 -7.5207 PRESSURE: 2238800 -43.5468 61.4447 -161.142 61.445 -118.839 -224.202 -161.142 -224.203 13.2994 GPRESSURE: 2238800 28.4199 0.269014 -165.448 85.6315 -144.943 -155.561 -170.046 -267.874 62.5535 PRESSAVG: 2238800 -17.6842 -25.3885 -44.1064 -25.3884 -13.7695 -48.0538 -44.1063 -48.0539 71.7465 GPRESSAVG: 2238800 -17.6162 -28.5138 -44.2867 -23.2858 -13.5117 -47.3239 -43.4868 -46.2178 71.6447 TIMING: 2238800 CPU: 6684.33, 0.0029552/step Wall: 6684.33, 0.0029552/step, 2.26664 hours remaining, 207.398438 MB of memory in use. ENERGY: 2238800 751.5360 2025.6895 1947.9603 105.3074 -206141.1871 17751.5708 0.0000 0.0000 34129.0800 -149430.0430 298.0577 -183559.1230 -149329.6847 299.3938 -49.6956 -17.9900 556355.3340 13.4309 13.5056 PRESSURE: 2239000 -173.509 -193.382 -38.0145 -193.382 -165.651 141.638 -38.0149 141.64 -238.045 GPRESSURE: 2239000 -148.906 -203.381 -14.1301 -182.613 -88.408 250.143 -109.7 72.3914 -241.797 PRESSAVG: 2239000 -67.0764 -24.402 -92.3146 -24.402 -13.8547 9.48172 -92.3146 9.48164 55.1909 GPRESSAVG: 2239000 -67.0595 -23.9132 -92.8593 -24.9855 -13.7939 6.66651 -92.5898 10.361 55.4741 TIMING: 2239000 CPU: 6684.92, 0.00294331/step Wall: 6684.92, 0.00294331/step, 2.25736 hours remaining, 207.398438 MB of memory in use. ENERGY: 2239000 758.7960 2075.1067 1923.7777 103.7152 -205945.1264 17451.4625 0.0000 0.0000 34089.3198 -149542.9486 297.7105 -183632.2683 -149444.4731 298.7618 -192.4015 -159.7034 556943.3597 -8.5801 -8.4597 PRESSURE: 2239200 13.1568 -4.17645 -53.5976 -4.17667 -372.85 84.4198 -53.5981 84.4206 -12.3234 GPRESSURE: 2239200 47.7168 -81.4956 -76.3207 128.282 -320.768 112.359 -30.1798 76.4403 2.23736 PRESSAVG: 2239200 -44.9076 24.6239 -6.33354 24.6239 7.06816 92.1492 -6.33346 92.1492 2.10738 GPRESSAVG: 2239200 -45.5761 25.8816 -6.73529 22.3842 6.56852 93.5811 -6.6136 90.3233 2.89448 TIMING: 2239200 CPU: 6685.52, 0.0029629/step Wall: 6685.52, 0.0029629/step, 2.27222 hours remaining, 207.398438 MB of memory in use. ENERGY: 2239200 713.4337 2095.3721 1908.3110 122.9938 -206611.8411 17813.4441 0.0000 0.0000 34243.5076 -149714.7789 299.0571 -183958.2865 -149620.9795 298.7132 -124.0056 -90.2713 557807.7740 -11.9107 -12.0377 PRESSURE: 2239400 219.922 -74.2386 -139.496 -74.2391 206.053 -47.3298 -139.496 -47.3295 108.214 GPRESSURE: 2239400 214.828 -43.0075 -159.436 -100.601 210.539 -13.8054 -184.374 -75.2428 192.003 PRESSAVG: 2239400 -98.2377 53.5273 -50.625 53.5273 -55.0643 5.12771 -50.6251 5.12779 85.0999 GPRESSAVG: 2239400 -99.4497 54.2891 -50.634 54.5052 -54.5263 1.24556 -51.1039 6.53468 85.2454 TIMING: 2239400 CPU: 6686.11, 0.00295498/step Wall: 6686.11, 0.00295498/step, 2.26597 hours remaining, 207.398438 MB of memory in use. ENERGY: 2239400 723.7867 2111.3911 1929.3636 104.8535 -207094.5900 18186.2411 0.0000 0.0000 34216.7758 -149822.1782 298.8236 -184038.9540 -149731.7657 298.1074 178.0633 205.7901 556308.4024 -22.7340 -22.9102 PRESSURE: 2239600 7.11118 -128.524 52.3118 -128.524 -195.772 41.6532 52.3107 41.653 94.8672 GPRESSURE: 2239600 67.1169 -234.416 45.8728 -16.758 -206.605 2.19612 -25.5392 59.6118 137.976 PRESSAVG: 2239600 -11.3969 4.20596 -39.2581 4.20596 73.1319 -27.0142 -39.2581 -27.0141 -35.5832 GPRESSAVG: 2239600 -10.0685 4.04961 -38.7419 4.42008 71.8376 -23.3743 -38.7283 -28.6467 -35.7488 TIMING: 2239600 CPU: 6686.7, 0.00296055/step Wall: 6686.7, 0.00296055/step, 2.27008 hours remaining, 207.398438 MB of memory in use. ENERGY: 2239600 745.5534 2113.6054 1933.1965 112.2440 -206784.8951 17679.1493 0.0000 0.0000 34353.8452 -149847.3013 300.0207 -184201.1465 -149745.6590 298.2365 -31.2644 -0.5039 555210.0059 8.7173 8.6734 PRESSURE: 2239800 -171.065 -151.64 -78.8024 -151.639 -285.071 128.471 -78.8033 128.473 -24.892 GPRESSURE: 2239800 -226.212 -184.558 -21.0299 -178.85 -251.959 106.39 -108.397 218.012 81.7506 PRESSAVG: 2239800 -27.7735 -34.4383 -35.1473 -34.4383 -59.7821 -4.95435 -35.1473 -4.95437 117.578 GPRESSAVG: 2239800 -29.0172 -34.5126 -32.699 -35.7686 -57.9229 -7.69207 -36.1532 -1.51209 116.991 TIMING: 2239800 CPU: 6687.29, 0.00297039/step Wall: 6687.29, 0.00297039/step, 2.27746 hours remaining, 207.398438 MB of memory in use. ENERGY: 2239800 752.8827 2095.2848 1921.1463 124.3803 -206055.6906 17448.5971 0.0000 0.0000 33982.5257 -149730.8736 296.7778 -183713.3993 -149635.0852 297.6770 -160.3426 -132.1403 556229.1615 10.0075 10.0169 PRESSURE: 2240000 -20.8531 44.7871 -157.009 44.7879 -174.689 6.02996 -157.01 6.031 -34.8974 GPRESSURE: 2240000 3.18212 40.1204 -141.69 11.1672 -114.43 -44.3365 -144.687 54.8338 -16.0276 PRESSAVG: 2240000 -0.64334 -16.7833 8.49551 -16.7832 -9.67913 15.1733 8.49538 15.1733 57.3308 GPRESSAVG: 2240000 -0.277453 -16.8821 5.24698 -16.3762 -11.683 17.8451 8.25887 13.3328 59.1028 TIMING: 2240000 CPU: 6687.89, 0.0029941/step Wall: 6687.89, 0.0029941/step, 2.29547 hours remaining, 207.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2240000 735.9127 2105.0591 1939.7756 105.9931 -206445.8043 17653.0954 0.0000 0.0000 34250.1782 -149655.7902 299.1153 -183905.9684 -149551.9529 298.1556 -76.8132 -42.4251 556376.7209 15.6694 15.7141 PRESSURE: 2240200 21.675 -189.194 45.2322 -189.194 -77.0402 -207.825 45.2316 -207.824 123.997 GPRESSURE: 2240200 43.5518 -102.008 11.8106 -191.35 1.50216 -223.862 93.7309 -222.487 115.065 PRESSAVG: 2240200 36.6532 15.4319 -4.54545 15.4319 -21.5249 -28.2746 -4.5455 -28.2747 36.2301 GPRESSAVG: 2240200 36.7103 14.1265 -3.13646 15.6408 -20.5514 -29.9124 -2.55862 -28.1686 35.405 TIMING: 2240200 CPU: 6688.49, 0.00297903/step Wall: 6688.49, 0.00297903/step, 2.28376 hours remaining, 207.398438 MB of memory in use. ENERGY: 2240200 718.9335 2091.9940 1943.9207 102.2439 -206662.0297 17871.3720 0.0000 0.0000 34061.6100 -149871.9556 297.4685 -183933.5656 -149773.0209 298.3347 22.8772 53.3729 556836.6354 17.1195 17.1880 LDB: ============= START OF LOAD BALANCING ============== 6692.03 LDB: ============== END OF LOAD BALANCING =============== 6692.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6692.03 LDB: ============= START OF LOAD BALANCING ============== 6692.33 LDB: Largest compute 4773 load 0.030788 is 26.0% of average load 0.118194 LDB: Average compute 0.001722 is 1.5% of average load 0.118194 LDB: TIME 6692.33 LOAD: AVG 0.118194 MAX 0.200836 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.688 MB LDB: TIME 6692.33 LOAD: AVG 0.118194 MAX 0.200836 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.688 MB LDB: TIME 6692.34 LOAD: AVG 0.118194 MAX 0.200836 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.688 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6692.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6692.34 PRESSURE: 2240400 -355.513 -1.30816 85.8203 -1.30952 -334.126 -20.8935 85.8214 -20.8936 19.3871 GPRESSURE: 2240400 -274.027 5.51946 55.2955 -23.8126 -294.372 40.9614 123.008 -105.508 -3.19286 PRESSAVG: 2240400 -37.8154 -14.3752 -22.2314 -14.3752 -30.5979 -35.1018 -22.2314 -35.1018 9.74 GPRESSAVG: 2240400 -36.6906 -12.9919 -21.2006 -15.1547 -29.9001 -32.9497 -23.4554 -35.6152 8.72653 TIMING: 2240400 CPU: 6689.09, 0.0030182/step Wall: 6689.09, 0.0030182/step, 2.31362 hours remaining, 207.226562 MB of memory in use. ENERGY: 2240400 750.4979 2088.9713 1941.1119 128.4835 -206244.2132 17631.6917 0.0000 0.0000 33808.3469 -149895.1100 295.2567 -183703.4569 -149796.8122 297.4987 -223.4175 -190.5304 556466.2502 -19.5578 -19.2881 PRESSURE: 2240600 -243.116 -72.8731 -202.854 -72.8737 66.3253 -2.29267 -202.852 -2.29279 -221.28 GPRESSURE: 2240600 -220.093 -74.3567 -137.367 -19.0556 100.4 -16.7459 -208.551 17.0813 -182.227 PRESSAVG: 2240600 -38.9205 -35.6568 -30.7632 -35.6568 -0.611039 -44.0773 -30.7632 -44.0772 6.0061 GPRESSAVG: 2240600 -39.3102 -36.2539 -33.6272 -35.2196 -0.752611 -45.9472 -30.3135 -43.2819 6.36568 TIMING: 2240600 CPU: 6689.69, 0.00298266/step Wall: 6689.69, 0.00298266/step, 2.28621 hours remaining, 207.226562 MB of memory in use. ENERGY: 2240600 708.5250 2185.4777 1939.9398 118.6520 -206432.5820 17752.9646 0.0000 0.0000 33965.5563 -149761.4666 296.6297 -183727.0229 -149671.5145 296.8945 -132.6902 -100.6397 557403.5794 -11.1751 -11.2324 PRESSURE: 2240800 -101.459 6.03156 -52.7833 6.03245 59.019 74.6396 -52.7827 74.6401 277.473 GPRESSURE: 2240800 -126.772 79.8645 -72.8961 -7.12784 179.507 -9.39692 -87.9874 122.588 273.853 PRESSAVG: 2240800 -3.26341 3.3028 -18.5134 3.30283 32.1587 -5.11942 -18.5134 -5.11937 -36.9788 GPRESSAVG: 2240800 -2.332 3.17718 -16.1155 4.09767 31.181 -6.15922 -18.3408 -5.32006 -37.4496 TIMING: 2240800 CPU: 6690.28, 0.00297504/step Wall: 6690.28, 0.00297504/step, 2.28021 hours remaining, 207.226562 MB of memory in use. ENERGY: 2240800 739.9845 2084.2636 1931.1453 104.9636 -206958.3356 18130.2973 0.0000 0.0000 34242.1622 -149725.5191 299.0453 -183967.6813 -149633.8730 298.4464 78.3441 108.8625 555852.9956 -2.6945 -2.8669 PRESSURE: 2241000 89.8016 -70.0017 73.1451 -70.0007 198.889 71.0152 73.1455 71.0146 -6.47241 GPRESSURE: 2241000 74.0765 -64.3205 60.6409 -54.3239 310.472 57.7938 133.728 58.972 -16.8979 PRESSAVG: 2241000 -37.696 5.302 -13.5079 5.30202 -0.0604827 17.9684 -13.5079 17.9684 40.4857 GPRESSAVG: 2241000 -40.7664 6.129 -14.3483 4.35582 1.74948 19.2881 -15.3984 16.9941 41.6043 TIMING: 2241000 CPU: 6690.88, 0.00300491/step Wall: 6690.88, 0.00300491/step, 2.30293 hours remaining, 207.226562 MB of memory in use. ENERGY: 2241000 768.6865 2038.7483 1938.7458 104.5916 -207020.1110 18246.8903 0.0000 0.0000 34127.7288 -149794.7197 298.0459 -183922.4485 -149697.5397 297.6808 94.0727 122.5501 556894.0567 0.9097 0.8625 PRESSURE: 2241200 -186.82 22.4234 -92.8156 22.4234 -223.056 -59.9467 -92.8157 -59.9456 158.458 GPRESSURE: 2241200 -177.831 -5.90371 -77.774 53.0734 -139.537 -77.3396 -21.5913 -74.7211 167.671 PRESSAVG: 2241200 27.1889 34.6882 -43.4755 34.6882 -10.6982 45.0345 -43.4755 45.0345 55.3299 GPRESSAVG: 2241200 28.7057 34.0205 -45.2558 35.7399 -12.5908 43.7326 -39.0915 45.1291 56.3233 TIMING: 2241200 CPU: 6691.48, 0.0029764/step Wall: 6691.48, 0.0029764/step, 2.28091 hours remaining, 207.226562 MB of memory in use. ENERGY: 2241200 744.1572 2112.8628 1954.3784 113.4785 -206355.8861 17750.9310 0.0000 0.0000 34282.6641 -149397.4142 299.3990 -183680.0783 -149298.5696 297.6524 -83.8059 -49.8992 558207.8154 23.9402 24.1461 PRESSURE: 2241400 149.516 -204.324 -24.7125 -204.324 -243.336 -14.8433 -24.7126 -14.8425 38.7999 GPRESSURE: 2241400 216.454 -167.113 85.9227 -247.328 -241.277 37.2046 -33.1931 -34.3989 71.8806 PRESSAVG: 2241400 7.77282 -11.0251 -23.757 -11.025 -44.646 -22.1703 -23.757 -22.1703 44.5242 GPRESSAVG: 2241400 8.64359 -11.0825 -21.727 -12.0819 -44.2805 -18.7739 -25.9481 -22.845 43.5555 TIMING: 2241400 CPU: 6692.08, 0.0029939/step Wall: 6692.08, 0.0029939/step, 2.29416 hours remaining, 207.226562 MB of memory in use. ENERGY: 2241400 766.3682 2066.5768 1951.9669 119.2359 -206430.2527 17808.6045 0.0000 0.0000 34407.7981 -149309.7023 300.4919 -183717.5004 -149213.5856 299.0353 -18.3399 15.6858 557625.9359 2.5503 2.6395 PRESSURE: 2241600 65.7489 110.408 93.4346 110.41 73.2469 237.959 93.4342 237.959 -23.999 GPRESSURE: 2241600 84.9033 136.028 79.0316 51.2003 131.754 312.903 139.745 226.381 -5.57089 PRESSAVG: 2241600 49.2537 27.2703 28.9867 27.2703 7.4033 -18.0112 28.9867 -18.011 -27.0901 GPRESSAVG: 2241600 48.0254 26.2233 29.0841 28.0272 8.09371 -21.2367 29.0987 -18.2179 -26.268 TIMING: 2241600 CPU: 6692.67, 0.0029636/step Wall: 6692.67, 0.0029636/step, 2.27077 hours remaining, 207.226562 MB of memory in use. ENERGY: 2241600 769.3283 2099.5146 1936.2325 113.5289 -206424.7221 18001.2171 0.0000 0.0000 34162.9330 -149341.9677 298.3534 -183504.9006 -149247.2242 299.2682 38.3322 70.3622 558402.0584 9.8556 9.9503 PRESSURE: 2241800 -155.424 -112.48 -123.035 -112.479 17.9241 -45.5715 -123.034 -45.5711 182.449 GPRESSURE: 2241800 -85.5306 -114.797 -65.4922 -175.486 37.6792 -121.212 -84.9118 -17.1229 193.696 PRESSAVG: 2241800 4.46466 26.7281 -37.3527 26.7282 -18.0772 65.353 -37.3528 65.3528 6.81383 GPRESSAVG: 2241800 6.02385 27.6152 -36.3083 25.8377 -19.5359 64.3111 -39.603 68.5028 6.79165 TIMING: 2241800 CPU: 6693.26, 0.00294293/step Wall: 6693.26, 0.00294293/step, 2.25478 hours remaining, 207.226562 MB of memory in use. ENERGY: 2241800 770.0337 2087.6601 1956.1066 120.6532 -206554.1789 18018.4431 0.0000 0.0000 34482.0703 -149119.2120 301.1405 -183601.2823 -149018.7958 299.0492 14.9832 48.6148 557918.7601 -2.2662 -2.2401 PRESSURE: 2242000 173.545 68.5715 98.2207 68.5713 231.441 -180.738 98.2206 -180.737 252.714 GPRESSURE: 2242000 206.278 49.4938 87.4161 24.8168 242.804 -196.879 -11.4975 -155.185 293.643 PRESSAVG: 2242000 15.9976 -18.828 20.8207 -18.828 -33.9589 -20.8316 20.8207 -20.8315 44.1394 GPRESSAVG: 2242000 16.6659 -18.8161 20.9962 -17.6124 -33.4044 -19.4837 20.4266 -22.7763 43.2329 TIMING: 2242000 CPU: 6693.86, 0.0029835/step Wall: 6693.86, 0.0029835/step, 2.28569 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2242000 740.1879 2106.6195 1931.5674 113.3336 -206852.5755 18130.8643 0.0000 0.0000 34554.5163 -149275.4865 301.7732 -183830.0029 -149177.6735 299.6925 219.2337 247.5750 556611.8435 8.7260 8.8315 PRESSURE: 2242200 -55.8746 -271.63 87.4869 -271.63 34.2618 83.228 87.4863 83.2302 -136.659 GPRESSURE: 2242200 7.63898 -189.096 125.18 -197.913 34.7734 85.2048 32.7939 55.5651 -119.632 PRESSAVG: 2242200 -23.1624 -17.8049 9.06096 -17.8049 29.7784 -10.8512 9.06087 -10.8514 -17.4761 GPRESSAVG: 2242200 -22.966 -20.2031 7.40487 -16.8678 29.6795 -12.2571 10.5361 -10.3752 -17.3307 TIMING: 2242200 CPU: 6694.45, 0.00297644/step Wall: 6694.45, 0.00297644/step, 2.28012 hours remaining, 207.226562 MB of memory in use. ENERGY: 2242200 739.9019 2074.2498 1952.9274 110.2741 -206280.5989 17735.2316 0.0000 0.0000 34382.1570 -149285.8572 300.2679 -183668.0142 -149191.4529 299.6201 -52.7573 -25.7399 558079.8632 -3.6200 -3.5390 PRESSURE: 2242400 94.3892 -116.783 60.8275 -116.784 74.7143 -132.683 60.8264 -132.684 -22.9187 GPRESSURE: 2242400 126.642 -96.7468 121.7 -95.4857 79.6062 -141.703 53.4603 -147.047 41.0891 PRESSAVG: 2242400 -12.5786 -39.5156 -42.7853 -39.5157 40.6585 -32.4078 -42.7853 -32.4079 -16.2606 GPRESSAVG: 2242400 -14.4299 -37.3616 -41.4374 -39.4526 41.6556 -30.8758 -44.5122 -32.0064 -15.002 TIMING: 2242400 CPU: 6695.05, 0.00297474/step Wall: 6695.05, 0.00297474/step, 2.27865 hours remaining, 207.226562 MB of memory in use. ENERGY: 2242400 735.9844 2088.2821 1930.4474 111.8400 -206140.9455 17689.7948 0.0000 0.0000 34279.1988 -149305.3979 299.3688 -183584.5967 -149207.3761 299.0727 48.7283 82.4459 554949.1098 3.9398 4.0746 PRESSURE: 2242600 58.122 -171.824 100.963 -171.824 -0.336415 -23.5722 100.962 -23.5721 17.6739 GPRESSURE: 2242600 77.9671 -149.382 101.652 -205.596 14.1617 -11.4004 50.2161 -15.3953 71.0177 PRESSAVG: 2242600 47.3035 -69.4553 -7.91388 -69.4555 -63.7594 -34.4515 -7.91389 -34.4516 21.2842 GPRESSAVG: 2242600 49.1426 -70.0613 -7.92392 -69.1492 -64.0425 -34.08 -7.53326 -35.2361 19.5724 TIMING: 2242600 CPU: 6695.64, 0.00294875/step Wall: 6695.64, 0.00294876/step, 2.25858 hours remaining, 207.226562 MB of memory in use. ENERGY: 2242600 774.1367 2108.5981 1936.4151 114.0160 -206371.4580 17941.6661 0.0000 0.0000 34274.6661 -149221.9600 299.3292 -183496.6261 -149126.6800 299.6956 25.1532 54.3822 557010.9630 1.6094 1.5575 PRESSURE: 2242800 87.3385 112.563 -72.88 112.561 32.937 -22.156 -72.8802 -22.1556 -94.6653 GPRESSURE: 2242800 135.071 92.1413 -98.8707 99.4181 24.7309 -65.4212 -73.2461 64.5155 -30.6407 PRESSAVG: 2242800 -20.422 -36.2097 -20.1688 -36.2097 9.43381 -6.705 -20.1688 -6.70484 30.7218 GPRESSAVG: 2242800 -20.8075 -37.2355 -21.3029 -36.8161 9.20801 -7.67414 -18.7011 -6.53494 31.4101 TIMING: 2242800 CPU: 6696.23, 0.00296862/step Wall: 6696.23, 0.00296862/step, 2.27363 hours remaining, 207.429688 MB of memory in use. ENERGY: 2242800 709.5957 2067.1725 1933.5544 107.3456 -206319.1045 17659.0679 0.0000 0.0000 34607.1230 -149235.2453 302.2326 -183842.3683 -149132.7842 299.2630 8.5367 43.0536 556011.6110 6.5779 6.6035 PRESSURE: 2243000 -359.355 125.631 123.736 125.631 -352.047 95.1937 123.735 95.1949 -380.736 GPRESSURE: 2243000 -313.773 129.663 113.407 91.8368 -374.127 105.601 124.978 90.8853 -303.087 PRESSAVG: 2243000 -14.8263 15.0262 47.5209 15.0262 -23.3568 -30.2088 47.5209 -30.2088 35.8393 GPRESSAVG: 2243000 -15.1538 16.036 48.4838 14.9136 -23.15 -30.958 46.6623 -28.9721 35.9756 TIMING: 2243000 CPU: 6696.82, 0.00294265/step Wall: 6696.82, 0.00294265/step, 2.25358 hours remaining, 207.429688 MB of memory in use. ENERGY: 2243000 742.5629 2057.4713 1955.4053 101.7724 -205851.9513 17362.8683 0.0000 0.0000 34440.5036 -149191.3676 300.7775 -183631.8712 -149091.1099 299.1117 -364.0460 -330.3291 559491.5589 -0.7813 -0.7760 PRESSURE: 2243200 -153.069 109.777 -140.858 109.776 -85.466 -40.9841 -140.858 -40.9825 -230.941 GPRESSURE: 2243200 -108.214 38.0546 -179.174 185.159 -115.03 -5.94979 -96.6822 43.6046 -153.797 PRESSAVG: 2243200 17.1524 28.6517 4.90982 28.6518 -51.518 -1.37102 4.90976 -1.37104 21.6722 GPRESSAVG: 2243200 17.3295 28.6065 2.92523 28.9268 -51.6086 -1.16611 5.44512 -2.2347 21.4883 TIMING: 2243200 CPU: 6697.41, 0.00295188/step Wall: 6697.41, 0.00295188/step, 2.26048 hours remaining, 207.429688 MB of memory in use. ENERGY: 2243200 775.7623 2102.6313 1924.2316 118.2521 -206074.7000 17755.5025 0.0000 0.0000 34335.8607 -149062.4595 299.8636 -183398.3202 -148969.6064 299.4771 -156.4919 -125.6804 559189.1612 -4.2311 -4.2636 PRESSURE: 2243400 -219.58 77.0362 -90.9632 77.0357 -192.213 128.28 -90.9643 128.281 -170.131 GPRESSURE: 2243400 -224.042 38.3387 -113.204 96.007 -178.87 105.028 -40.1487 107.292 -98.907 PRESSAVG: 2243400 23.0163 -5.89813 -36.0072 -5.89812 -83.7229 5.21392 -36.0073 5.21383 23.4979 GPRESSAVG: 2243400 21.8366 -5.38155 -35.052 -7.12466 -83.9163 5.32083 -34.6312 3.31232 24.9498 TIMING: 2243400 CPU: 6698, 0.00293924/step Wall: 6698, 0.00293924/step, 2.25065 hours remaining, 207.429688 MB of memory in use. ENERGY: 2243400 750.8692 2050.7933 1953.2989 111.0854 -206082.6661 17664.6147 0.0000 0.0000 34600.2563 -148951.7484 302.1726 -183552.0047 -148854.3442 300.0492 -193.9744 -167.2730 558804.3952 -12.4029 -12.3766 PRESSURE: 2243600 78.5037 -186.218 33.0523 -186.219 -26.5963 96.5828 33.0524 96.5815 40.3588 GPRESSURE: 2243600 90.2351 -153.989 11.7839 -145.087 11.0085 114.342 93.1383 93.7969 95.3933 PRESSAVG: 2243600 -36.1808 -22.9165 -10.9081 -22.9166 16.308 -34.031 -10.9081 -34.0312 30.5965 GPRESSAVG: 2243600 -34.6086 -24.1774 -11.5817 -19.9017 16.395 -32.7719 -11.9706 -31.4943 29.2564 TIMING: 2243600 CPU: 6698.59, 0.00297933/step Wall: 6698.59, 0.00297933/step, 2.28117 hours remaining, 207.429688 MB of memory in use. ENERGY: 2243600 732.4749 2095.3336 1955.8026 112.7564 -205962.5932 17885.9840 0.0000 0.0000 34119.8609 -149060.3808 297.9772 -183180.2417 -148960.3101 299.5428 30.7554 65.5456 558572.1190 3.5745 3.6809 PRESSURE: 2243800 -138.148 124.949 60.0441 124.948 -51.0055 -34.9669 60.0434 -34.9673 67.3881 GPRESSURE: 2243800 -108.81 84.3197 36.6452 103.402 -41.2153 -27.491 63.4475 -47.2516 108.562 PRESSAVG: 2243800 1.47956 -19.4349 26.9397 -19.4349 9.39637 -22.3482 26.9397 -22.3483 2.19104 GPRESSAVG: 2243800 0.283114 -17.9368 26.8496 -21.4309 10.6332 -23.8811 27.6219 -22.6057 1.72796 TIMING: 2243800 CPU: 6699.19, 0.00296942/step Wall: 6699.19, 0.00296942/step, 2.27342 hours remaining, 207.429688 MB of memory in use. ENERGY: 2243800 776.5601 2064.2960 1947.3845 127.3705 -206089.5430 17849.1838 0.0000 0.0000 34255.7391 -149069.0090 299.1639 -183324.7481 -148974.8395 299.9312 -40.5884 -13.8210 559391.7873 4.3557 4.2148 PRESSURE: 2244000 -241.063 -119.081 152.728 -119.08 -316.189 22.7594 152.728 22.7594 62.9295 GPRESSURE: 2244000 -222.081 -58.583 198.209 -99.3628 -246.946 46.5346 78.2579 -68.0622 66.4156 PRESSAVG: 2244000 -44.6229 -14.9021 43.2091 -14.9021 8.57244 -9.97404 43.2091 -9.97404 40.8679 GPRESSAVG: 2244000 -43.094 -16.5901 43.5831 -13.3533 7.37243 -9.73708 43.3641 -10.9982 40.4079 TIMING: 2244000 CPU: 6699.78, 0.00298787/step Wall: 6699.78, 0.00298787/step, 2.28738 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2244000 757.5637 2158.6169 1949.9788 112.0840 -206252.9795 17777.5884 0.0000 0.0000 34214.4572 -149282.6906 298.8034 -183497.1477 -149189.3353 299.9869 -164.7741 -134.2038 560455.4228 1.6058 1.5621 PRESSURE: 2244200 195.708 101.709 -12.4904 101.71 -306.747 -23.6592 -12.4909 -23.6585 -403.614 GPRESSURE: 2244200 246.444 60.2149 20.7094 80.841 -364.719 -87.1041 -70.2521 -8.84867 -317.774 PRESSAVG: 2244200 34.5955 -7.38032 60.5533 -7.38035 5.50169 -13.6543 60.5533 -13.6544 -5.98421 GPRESSAVG: 2244200 33.0123 -6.13151 59.1125 -7.81046 5.95995 -14.2241 59.1125 -11.2052 -4.4245 TIMING: 2244200 CPU: 6700.37, 0.00295945/step Wall: 6700.37, 0.00295945/step, 2.26546 hours remaining, 207.429688 MB of memory in use. ENERGY: 2244200 771.2910 2169.6091 1913.6072 108.8639 -206118.3855 17642.6414 0.0000 0.0000 34085.9333 -149426.4395 297.6809 -183512.3728 -149328.9404 298.9404 -171.5511 -145.3499 559899.7298 11.3710 11.5159 LDB: ============= START OF LOAD BALANCING ============== 6703.92 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6703.92 LDB: =============== DONE WITH MIGRATION ================ 6703.92 LDB: ============= START OF LOAD BALANCING ============== 6704.22 LDB: Largest compute 4773 load 0.031258 is 26.4% of average load 0.118253 LDB: Average compute 0.001727 is 1.5% of average load 0.118253 LDB: TIME 6704.22 LOAD: AVG 0.118253 MAX 0.200772 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 6704.22 LOAD: AVG 0.118253 MAX 0.200772 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.957 MB LDB: TIME 6704.22 LOAD: AVG 0.118253 MAX 0.200772 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.957 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6704.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6704.23 PRESSURE: 2244400 -24.3369 12.5802 -86.6963 12.5803 60.3304 34.1835 -86.6967 34.1831 61.6633 GPRESSURE: 2244400 8.3779 91.0877 -41.2967 7.07685 112.315 116.15 -21.8607 -80.0605 69.8274 PRESSAVG: 2244400 26.6017 -52.3351 6.03531 -52.3351 -5.7798 -20.197 6.03542 -20.1971 3.25586 GPRESSAVG: 2244400 27.8893 -52.9019 7.52284 -53.8201 -6.07885 -19.2059 8.2293 -22.811 2.07252 TIMING: 2244400 CPU: 6700.98, 0.00301742/step Wall: 6700.98, 0.00301742/step, 2.30967 hours remaining, 206.136719 MB of memory in use. ENERGY: 2244400 750.6098 2056.0468 1916.0197 107.4377 -206971.1656 18243.8315 0.0000 0.0000 34297.8603 -149599.3597 299.5317 -183897.2201 -149501.9630 298.4429 32.5523 63.5067 557170.2521 8.0259 7.9610 PRESSURE: 2244600 54.4717 -49.4779 -131.411 -49.4764 107.832 -55.1256 -131.411 -55.1263 -180.533 GPRESSURE: 2244600 33.2743 -56.6582 -138.845 -124.698 169.098 -66.6508 -82.3773 -45.2111 -128.939 PRESSAVG: 2244600 -30.5164 -9.27256 -43.3093 -9.27259 2.24083 -13.6902 -43.3092 -13.6902 23.221 GPRESSAVG: 2244600 -31.3414 -9.23047 -43.8584 -7.49837 3.10165 -12.9523 -44.9035 -10.4367 23.1639 TIMING: 2244600 CPU: 6701.58, 0.00298741/step Wall: 6701.58, 0.00298741/step, 2.28653 hours remaining, 206.136719 MB of memory in use. ENERGY: 2244600 739.6400 2042.3223 1941.0778 128.4940 -206316.0539 17712.5196 0.0000 0.0000 34086.7932 -149665.2070 297.6884 -183752.0002 -149569.6662 298.6496 -6.0765 24.4780 555944.2720 -1.6849 -1.6919 PRESSURE: 2244800 -408.366 -99.1461 -43.1633 -99.1476 -85.3253 -111.434 -43.1642 -111.433 -102.286 GPRESSURE: 2244800 -369.095 -52.9534 -81.4657 -107.925 -56.9212 -73.085 -57.3044 -126.587 -72.1902 PRESSAVG: 2244800 -72.315 -27.8754 -19.1846 -27.8754 64.6463 -26.4778 -19.1845 -26.4778 -31.2394 GPRESSAVG: 2244800 -71.548 -26.8463 -19.0445 -28.6356 65.0838 -27.9637 -19.5602 -29.1443 -31.8502 TIMING: 2244800 CPU: 6702.17, 0.0029707/step Wall: 6702.17, 0.0029707/step, 2.27358 hours remaining, 206.136719 MB of memory in use. ENERGY: 2244800 728.9720 2123.5468 1938.4902 112.9108 -205825.2197 17387.4254 0.0000 0.0000 33816.1706 -149717.7038 295.3250 -183533.8745 -149627.8859 297.6214 -198.6592 -166.0687 557972.5283 -12.9694 -12.7715 PRESSURE: 2245000 -110.089 112.666 -160.594 112.667 10.8843 -37.8194 -160.594 -37.82 18.9102 GPRESSURE: 2245000 -85.914 202.954 -49.6045 50.5024 25.0802 -121.297 -150.248 23.3172 90.3623 PRESSAVG: 2245000 6.58986 3.56208 -27.3383 3.56208 -42.2875 29.7083 -27.3383 29.7084 26.8993 GPRESSAVG: 2245000 5.74586 2.93825 -27.6687 4.50393 -42.6086 29.9912 -26.4166 29.3567 28.2356 TIMING: 2245000 CPU: 6702.76, 0.00296022/step Wall: 6702.76, 0.00296022/step, 2.26539 hours remaining, 206.136719 MB of memory in use. ENERGY: 2245000 808.0870 2087.7300 1943.4877 122.7511 -206686.4154 17951.4860 0.0000 0.0000 34184.9820 -149587.8917 298.5459 -183772.8737 -149494.1760 297.5456 -26.7649 9.8428 554769.4953 -2.9328 -2.8757 PRESSURE: 2245200 0.995614 -164.098 45.4592 -164.099 -1.85009 127.131 45.4581 127.13 76.5112 GPRESSURE: 2245200 7.39927 -172.992 7.23746 -162.798 52.1601 144.288 14.1449 102.491 108.101 PRESSAVG: 2245200 44.7261 51.8951 -27.8941 51.895 -6.6855 1.45659 -27.8941 1.45671 -2.55502 GPRESSAVG: 2245200 44.8342 50.7705 -29.0453 51.3736 -6.35961 1.27458 -27.0341 1.8986 -2.84958 TIMING: 2245200 CPU: 6703.35, 0.00294555/step Wall: 6703.35, 0.00294555/step, 2.254 hours remaining, 206.136719 MB of memory in use. ENERGY: 2245200 766.4124 2073.0802 1935.5497 133.5580 -206631.2848 17873.3171 0.0000 0.0000 34295.5832 -149553.7841 299.5119 -183849.3673 -149449.4409 298.5083 25.2189 55.8866 556950.6463 11.8285 11.8750 PRESSURE: 2245400 9.94178 -77.1886 157.198 -77.1892 51.8686 13.4149 157.197 13.4141 -137.524 GPRESSURE: 2245400 39.1098 -45.2335 151.569 -29.9849 81.1254 -97.739 171.792 109.342 -110.86 PRESSAVG: 2245400 4.0436 -29.4322 34.846 -29.4321 32.3146 38.3328 34.846 38.3328 -31.1337 GPRESSAVG: 2245400 3.34865 -28.5133 36.006 -28.8591 32.7886 36.5668 33.9509 41.1059 -31.0919 TIMING: 2245400 CPU: 6703.95, 0.00297094/step Wall: 6703.95, 0.00297094/step, 2.27326 hours remaining, 206.136719 MB of memory in use. ENERGY: 2245400 744.0795 2063.2375 1908.5327 120.0486 -206358.7605 17782.9837 0.0000 0.0000 34229.6266 -149510.2520 298.9358 -183739.8786 -149403.6606 299.2317 -25.2378 3.1251 556935.4980 1.7415 1.6818 PRESSURE: 2245600 -104.566 -35.6271 180.76 -35.6281 -48.27 140.595 180.76 140.594 15.698 GPRESSURE: 2245600 -44.3885 -3.04088 143.107 -73.9064 -0.00881205 72.706 207.462 200.728 -0.400583 PRESSAVG: 2245600 31.8947 -48.6303 -29.5894 -48.6302 -12.2004 -2.46174 -29.5895 -2.46182 -9.94583 GPRESSAVG: 2245600 32.0907 -46.8204 -32.4093 -50.002 -12.0973 -0.276877 -28.9028 -4.50548 -9.85626 TIMING: 2245600 CPU: 6704.54, 0.00297185/step Wall: 6704.54, 0.00297185/step, 2.27379 hours remaining, 206.136719 MB of memory in use. ENERGY: 2245600 768.6697 2096.6412 1900.6475 99.2336 -206458.7400 17874.1751 0.0000 0.0000 34452.2462 -149267.1268 300.8800 -183719.3729 -149171.9708 299.1668 -45.7126 -14.9326 557678.6895 3.2495 3.3790 PRESSURE: 2245800 14.4404 -114.671 -128.671 -114.669 204.647 -23.764 -128.671 -23.7634 -36.0313 GPRESSURE: 2245800 33.0039 2.7473 26.2389 -229.776 216.097 3.52123 -148.859 -59.4489 31.8372 PRESSAVG: 2245800 -36.6691 44.5695 -37.5327 44.5696 72.2715 1.28327 -37.5327 1.28332 -75.4134 GPRESSAVG: 2245800 -36.7718 43.4574 -35.9878 44.5912 73.165 1.19882 -38.169 -0.463419 -76.2291 TIMING: 2245800 CPU: 6705.13, 0.00294336/step Wall: 6705.13, 0.00294336/step, 2.25183 hours remaining, 206.136719 MB of memory in use. ENERGY: 2245800 712.1642 2066.2351 1925.8280 127.5179 -206473.8901 17972.4484 0.0000 0.0000 34372.0814 -149297.6151 300.1799 -183669.6965 -149206.0437 298.9969 61.0187 93.6459 557054.3626 -13.2703 -13.2786 PRESSURE: 2246000 -186.095 81.5114 -130.9 81.5111 -2.52385 17.0323 -130.9 17.0318 -195.395 GPRESSURE: 2246000 -186.46 34.7022 -23.6394 82.6936 23.2375 -8.77355 -197.962 66.5479 -132.698 PRESSAVG: 2246000 -9.58018 18.7728 -22.1568 18.7728 89.198 -28.5123 -22.1568 -28.5123 -51.1793 GPRESSAVG: 2246000 -8.99357 18.6498 -19.7232 18.8614 89.3438 -26.2656 -24.3396 -29.6393 -51.7842 TIMING: 2246000 CPU: 6705.73, 0.00298385/step Wall: 6705.73, 0.00298385/step, 2.28264 hours remaining, 206.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2246000 738.0929 2074.5234 1925.4604 114.3617 -205902.7090 17534.3591 0.0000 0.0000 34385.5212 -149130.3902 300.2973 -183515.9114 -149037.8667 299.5401 -128.0046 -98.6403 557397.5895 9.4795 9.5220 PRESSURE: 2246200 -20.8772 -119.903 3.13274 -119.904 -77.0233 -31.9812 3.13234 -31.9807 -127.141 GPRESSURE: 2246200 18.7681 -128.69 -65.664 -99.1468 -60.9363 11.1782 36.7002 -43.4244 -92.4711 PRESSAVG: 2246200 56.5445 25.83 -6.18725 25.8299 45.5879 31.9656 -6.18734 31.9656 -54.449 GPRESSAVG: 2246200 55.8887 23.3393 -7.33427 30.1534 45.1815 30.4771 -6.50104 35.4856 -54.0526 TIMING: 2246200 CPU: 6706.32, 0.00296414/step Wall: 6706.32, 0.00296414/step, 2.2674 hours remaining, 206.136719 MB of memory in use. ENERGY: 2246200 731.2832 2082.3968 1941.9735 125.0688 -206188.9056 17570.1114 0.0000 0.0000 34559.7077 -149178.3641 301.8185 -183738.0718 -149091.2351 300.2111 -75.0138 -44.8798 556811.3920 15.8945 15.6725 PRESSURE: 2246400 118.753 87.9639 -64.6235 87.9631 0.952965 149.569 -64.6233 149.57 168.644 GPRESSURE: 2246400 157.22 56.7125 -99.3334 113.686 28.3224 147.804 -77.6784 102.256 197.208 PRESSAVG: 2246400 -0.033992 42.7121 -37.485 42.7121 17.1096 -6.792 -37.485 -6.79206 -20.5918 GPRESSAVG: 2246400 1.76051 45.742 -38.3287 39.5533 15.7398 -8.33416 -37.0972 -5.96769 -20.48 TIMING: 2246400 CPU: 6706.91, 0.00294715/step Wall: 6706.91, 0.00294715/step, 2.25424 hours remaining, 206.136719 MB of memory in use. ENERGY: 2246400 706.1595 2077.7069 1932.0388 110.8858 -206035.0629 17893.8608 0.0000 0.0000 34178.4830 -149135.9282 298.4892 -183314.4112 -149041.2389 299.7110 96.1166 127.5833 556401.1903 -1.1720 -0.9932 PRESSURE: 2246600 -8.24781 82.652 26.4366 82.6505 -87.2478 33.6663 26.4357 33.666 -68.4362 GPRESSURE: 2246600 -14.2829 76.9141 56.5196 72.321 -16.5202 18.7425 18.976 49.7429 -35.7738 PRESSAVG: 2246600 7.5801 -22.717 -23.2204 -22.7171 2.15486 31.6995 -23.2204 31.6994 -2.93111 GPRESSAVG: 2246600 5.51427 -22.387 -21.6143 -24.6644 2.74219 35.8491 -22.3058 27.1986 -1.97151 TIMING: 2246600 CPU: 6707.5, 0.0029667/step Wall: 6707.5, 0.0029667/step, 2.26903 hours remaining, 206.136719 MB of memory in use. ENERGY: 2246600 742.7523 2113.2432 1921.0305 115.2178 -205921.6508 17670.1535 0.0000 0.0000 34195.6233 -149163.6302 298.6389 -183359.2535 -149065.7766 299.7129 -54.6439 -22.1923 555815.1881 2.2680 2.0950 PRESSURE: 2246800 58.6575 128.717 8.3123 128.717 -106.254 -29.8913 8.31098 -29.8896 57.522 GPRESSURE: 2246800 73.2952 136.924 98.0749 164.08 -111.323 -39.3286 -31.3662 -66.2191 138.959 PRESSAVG: 2246800 -8.52992 42.9351 -15.664 42.935 20.8172 16.3226 -15.664 16.3225 23.2088 GPRESSAVG: 2246800 -7.64277 42.1183 -14.7816 45.5326 20.2581 12.5231 -16.7823 19.4204 22.6036 TIMING: 2246800 CPU: 6708.09, 0.00296972/step Wall: 6708.09, 0.00296972/step, 2.27117 hours remaining, 206.136719 MB of memory in use. ENERGY: 2246800 709.2559 2148.9923 1939.9162 107.3134 -206029.9346 17791.4769 0.0000 0.0000 34368.6269 -148964.3531 300.1498 -183332.9799 -148869.3911 300.2301 3.3087 33.6436 556045.2447 11.8320 11.7396 PRESSURE: 2247000 -26.5909 82.5725 -199.888 82.5729 -45.8922 -77.2312 -199.887 -77.2312 -131.973 GPRESSURE: 2247000 0.702494 69.9595 -227.612 79.4558 -49.3983 -8.56177 -246.804 -87.0174 -55.867 PRESSAVG: 2247000 -51.548 19.2545 -36.5004 19.2545 -28.965 42.934 -36.5005 42.9341 51.177 GPRESSAVG: 2247000 -51.6142 17.8782 -37.7052 20.6098 -28.9359 40.9621 -33.8754 44.0101 51.7568 TIMING: 2247000 CPU: 6708.69, 0.00296458/step Wall: 6708.69, 0.00296458/step, 2.26708 hours remaining, 206.136719 MB of memory in use. ENERGY: 2247000 791.0223 2057.4959 1917.6129 114.8205 -206126.1664 17831.1941 0.0000 0.0000 34480.6365 -148933.3843 301.1280 -183414.0208 -148838.1210 300.8943 -68.1521 -34.8543 557488.0785 -9.7787 -9.5978 PRESSURE: 2247200 63.6906 -92.0995 59.8009 -92.1006 281.488 99.2146 59.8019 99.2163 138.089 GPRESSURE: 2247200 86.77 -97.895 54.415 -56.9307 299.835 105.957 -26.0735 38.2635 193.685 PRESSAVG: 2247200 -25.3822 -20.6194 -39.04 -20.6194 16.3446 21.8982 -39.04 21.8981 -47.1653 GPRESSAVG: 2247200 -26.8655 -19.0349 -40.9918 -21.2827 17.4057 22.9339 -40.2489 21.1525 -47.1868 TIMING: 2247200 CPU: 6709.28, 0.00295914/step Wall: 6709.28, 0.00295914/step, 2.26275 hours remaining, 206.136719 MB of memory in use. ENERGY: 2247200 730.3236 2138.5203 1932.9449 124.1907 -206362.9921 18013.1112 0.0000 0.0000 34432.9905 -148990.9109 300.7119 -183423.9014 -148898.0772 300.7484 161.0891 193.4301 556748.8677 -18.7343 -18.8822 PRESSURE: 2247400 334.566 25.7362 42.9182 25.7353 233.249 130.71 42.9174 130.71 330.55 GPRESSURE: 2247400 311.727 72.0878 -18.5008 -44.2461 307.846 34.7459 85.8081 163.063 364.446 PRESSAVG: 2247400 -53.3153 -9.9723 -41.1295 -9.97236 2.86926 2.3311 -41.1296 2.33102 49.6889 GPRESSAVG: 2247400 -52.4141 -10.7873 -39.012 -10.0137 2.72489 2.91182 -40.8814 1.08493 49.2186 TIMING: 2247400 CPU: 6709.87, 0.00293081/step Wall: 6709.87, 0.00293081/step, 2.24093 hours remaining, 206.136719 MB of memory in use. ENERGY: 2247400 750.9681 2087.5230 1945.4937 108.3419 -206639.3630 18258.6227 0.0000 0.0000 34427.6142 -149060.7996 300.6649 -183488.4137 -148970.9063 299.3798 299.4550 328.0066 556195.7353 -0.2524 -0.1569 PRESSURE: 2247600 74.8642 -21.2761 12.848 -21.2771 106.236 190.903 12.848 190.904 94.9385 GPRESSURE: 2247600 87.0897 47.8126 83.8625 -19.2187 175.627 154.884 -84.6481 240.543 107.881 PRESSAVG: 2247600 15.9538 -14.6334 -68.6487 -14.6334 -22.1732 46.0879 -68.6487 46.0877 6.89824 GPRESSAVG: 2247600 17.1026 -14.5333 -68.5865 -14.8945 -22.82 46.5348 -68.6625 47.2519 6.46804 TIMING: 2247600 CPU: 6710.45, 0.00291776/step Wall: 6710.45, 0.00291776/step, 2.23079 hours remaining, 206.136719 MB of memory in use. ENERGY: 2247600 783.4775 2130.7833 1968.4121 113.6717 -206416.3243 18051.8765 0.0000 0.0000 34309.3911 -149058.7120 299.6324 -183368.1032 -148971.7315 300.1236 92.0130 123.5325 556879.3416 0.2263 0.2502 PRESSURE: 2247800 -263.742 -116.404 83.2548 -116.404 35.8197 36.7284 83.2545 36.7268 -131.59 GPRESSURE: 2247800 -214.876 -82.063 113.311 -114.863 85.1666 152.901 4.22968 -50.4325 -132.324 PRESSAVG: 2247800 -14.3483 -50.8814 -5.6801 -50.8814 21.5907 -6.44857 -5.68003 -6.44868 -0.216505 GPRESSAVG: 2247800 -16.065 -49.7383 -6.2231 -50.7188 22.6625 -7.3177 -5.33588 -6.19236 0.300006 TIMING: 2247800 CPU: 6711.04, 0.00293143/step Wall: 6711.04, 0.00293143/step, 2.24108 hours remaining, 206.136719 MB of memory in use. ENERGY: 2247800 773.8176 2116.1480 1929.0897 115.4607 -206257.5276 17828.4303 0.0000 0.0000 34412.5711 -149082.0102 300.5335 -183494.5813 -148990.3676 299.6483 -119.8376 -87.3445 557774.1219 2.3420 2.2992 PRESSURE: 2248000 -113.223 -168.218 -218.194 -168.218 2.73111 -39.4322 -218.195 -39.4321 -158.808 GPRESSURE: 2248000 -108.426 -102.244 -170.65 -188.758 70.1207 -0.19651 -228.247 -66.6862 -135.935 PRESSAVG: 2248000 38.8468 -9.44598 50.4517 -9.44599 13.1665 30.2745 50.4516 30.2745 -9.55004 GPRESSAVG: 2248000 40.0719 -9.08677 47.2023 -11.7164 12.0455 32.5937 53.0282 29.2465 -9.83055 TIMING: 2248000 CPU: 6711.63, 0.00295548/step Wall: 6711.63, 0.00295548/step, 2.2593 hours remaining, 206.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2248000 735.7536 2068.1898 1940.9385 108.3734 -205937.1962 17679.8089 0.0000 0.0000 34430.7263 -148973.4059 300.6921 -183404.1321 -148877.5251 300.1493 -89.7669 -58.0803 556917.2570 14.1544 14.0956 PRESSURE: 2248200 91.3797 4.5185 7.03032 4.51756 -34.7463 179.614 7.03025 179.614 184.701 GPRESSURE: 2248200 149.539 -19.4033 77.32 -17.9054 -15.0539 164.12 10.3511 114.718 192.05 PRESSAVG: 2248200 -5.15935 -21.0144 -8.78721 -21.0145 20.1416 -8.02649 -8.7872 -8.02648 5.90847 GPRESSAVG: 2248200 -5.85499 -23.046 -5.33447 -19.5357 20.4634 -10.586 -10.7765 -6.93871 6.25199 TIMING: 2248200 CPU: 6712.22, 0.0029449/step Wall: 6712.22, 0.0029449/step, 2.25105 hours remaining, 206.136719 MB of memory in use. ENERGY: 2248200 745.5779 2093.8747 1928.4279 105.8192 -205907.8918 17774.9111 0.0000 0.0000 34326.5724 -148932.7085 299.7825 -183259.2809 -148834.9142 300.0653 80.4447 108.8450 557668.6689 6.9636 6.9535 LDB: ============= START OF LOAD BALANCING ============== 6715.76 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6715.76 LDB: =============== DONE WITH MIGRATION ================ 6715.76 LDB: ============= START OF LOAD BALANCING ============== 6716.06 LDB: Largest compute 4773 load 0.031313 is 26.5% of average load 0.118276 LDB: Average compute 0.001725 is 1.5% of average load 0.118276 LDB: TIME 6716.06 LOAD: AVG 0.118276 MAX 0.202169 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.137 MB LDB: TIME 6716.06 LOAD: AVG 0.118276 MAX 0.202169 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.137 MB LDB: TIME 6716.07 LOAD: AVG 0.118276 MAX 0.202169 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.137 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6716.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6716.07 PRESSURE: 2248400 -236.196 92.915 -127.458 92.9147 7.95976 85.629 -127.458 85.6292 95.0495 GPRESSURE: 2248400 -204.119 71.2636 -18.8231 102.721 41.923 167.29 -135.782 55.3987 124.675 PRESSAVG: 2248400 -48.8908 -11.5157 31.4579 -11.5156 -22.7784 0.311515 31.4578 0.311558 55.3063 GPRESSAVG: 2248400 -48.0968 -11.2656 30.2427 -10.8942 -22.6745 2.15864 30.0108 -1.00855 54.5214 TIMING: 2248400 CPU: 6712.82, 0.00302652/step Wall: 6712.82, 0.00302652/step, 2.31327 hours remaining, 206.136719 MB of memory in use. ENERGY: 2248400 731.3254 2053.0104 1905.5906 124.2133 -205665.8845 17504.7809 0.0000 0.0000 34511.3403 -148835.6235 301.3961 -183346.9638 -148731.8402 300.5655 -44.3955 -12.5070 558161.2517 -5.4543 -5.4166 PRESSURE: 2248600 -350.396 -60.6406 -6.95809 -60.6401 0.691548 131.259 -6.95749 131.259 -16.6776 GPRESSURE: 2248600 -349.306 -42.5392 14.0785 -120.791 16.6629 112.234 -113.655 168.63 66.6051 PRESSAVG: 2248600 -75.1557 -24.313 -21.7523 -24.313 17.8871 -15.5853 -21.7523 -15.5853 31.1347 GPRESSAVG: 2248600 -75.5718 -24.2368 -22.0281 -26.1415 17.8913 -16.8318 -20.1292 -14.0748 30.9845 TIMING: 2248600 CPU: 6713.41, 0.00295042/step Wall: 6713.41, 0.00295042/step, 2.25494 hours remaining, 206.136719 MB of memory in use. ENERGY: 2248600 778.2461 2069.1242 1925.9763 130.8108 -206087.0709 17624.8840 0.0000 0.0000 34589.8670 -148968.1624 302.0819 -183558.0294 -148871.6207 300.5346 -122.1275 -88.6795 555949.9222 -8.7113 -8.8987 PRESSURE: 2248800 5.05816 157.072 61.7314 157.073 -136.378 -94.9391 61.7323 -94.9398 144.637 GPRESSURE: 2248800 5.97921 197.305 108.281 209.501 -71.4243 -107.83 -53.8107 -65.4836 175.265 PRESSAVG: 2248800 -38.8044 39.8287 15.6155 39.8288 -20.6197 4.03824 15.6157 4.03833 102.469 GPRESSAVG: 2248800 -38.7896 41.6704 15.7461 39.673 -20.4452 4.44045 13.7953 3.70186 102.883 TIMING: 2248800 CPU: 6714, 0.00295958/step Wall: 6714, 0.00295958/step, 2.26178 hours remaining, 206.136719 MB of memory in use. ENERGY: 2248800 756.4081 2038.8990 1927.0118 116.3734 -205886.8677 17623.9925 0.0000 0.0000 34481.6701 -148942.5128 301.1370 -183424.1829 -148855.8913 299.8962 4.4389 36.6066 557007.9815 14.3484 14.5495 PRESSURE: 2249000 74.5929 -95.0936 -37.9187 -95.0938 60.6527 -5.29546 -37.9174 -5.29535 33.9802 GPRESSURE: 2249000 142.015 -154.145 -38.1393 -2.16769 106.697 -63.2948 -16.9471 30.2882 22.8943 PRESSAVG: 2249000 -7.72487 40.6262 64.9936 40.6262 25.1759 37.507 64.9937 37.5069 -21.1257 GPRESSAVG: 2249000 -6.50829 39.3451 65.4228 40.2594 23.8876 38.7045 66.7919 36.8926 -20.6669 TIMING: 2249000 CPU: 6714.59, 0.0029557/step Wall: 6714.59, 0.0029557/step, 2.25865 hours remaining, 206.136719 MB of memory in use. ENERGY: 2249000 726.5431 2080.5968 1963.5128 117.7192 -206065.8657 17862.7230 0.0000 0.0000 34155.8784 -149158.8923 298.2918 -183314.7707 -149061.5035 299.0694 56.4086 90.5357 558461.6401 -1.2249 -1.0959 PRESSURE: 2249200 -27.9622 68.1463 192.656 68.1455 64.4788 -27.306 192.657 -27.3046 -19.8135 GPRESSURE: 2249200 78.6551 100.416 216.556 42.1186 44.5869 19.333 103.567 -12.6845 -9.59298 PRESSAVG: 2249200 -15.3139 15.8597 29.3079 15.8597 3.62543 42.8778 29.308 42.8777 4.74106 GPRESSAVG: 2249200 -15.9621 14.8497 27.7016 19.0045 5.65556 42.4135 28.2878 42.641 3.86597 TIMING: 2249200 CPU: 6715.18, 0.00295023/step Wall: 6715.18, 0.00295023/step, 2.25431 hours remaining, 206.203125 MB of memory in use. ENERGY: 2249200 731.1446 2103.9394 1913.3801 117.6076 -206387.6330 18080.4600 0.0000 0.0000 34349.1100 -149091.9911 299.9793 -183441.1012 -148991.8405 299.0100 5.5677 37.8830 559426.3321 -2.3158 -2.1469 PRESSURE: 2249400 -38.434 -78.1379 21.513 -78.1379 -14.5508 83.0077 21.5112 83.0078 46.3971 GPRESSURE: 2249400 -42.7878 -72.868 35.9982 -16.2677 -61.3951 90.0593 62.3193 108.832 185.54 PRESSAVG: 2249400 -32.2264 35.6032 1.02763 35.6033 12.483 -37.5703 1.02771 -37.5703 12.1509 GPRESSAVG: 2249400 -32.2177 36.7332 2.05387 34.4404 11.3419 -37.7045 0.703635 -36.8458 12.827 TIMING: 2249400 CPU: 6715.77, 0.00293695/step Wall: 6715.77, 0.00293695/step, 2.24399 hours remaining, 206.203125 MB of memory in use. ENERGY: 2249400 763.6292 2109.0875 1949.9972 113.6631 -206359.0515 17904.7802 0.0000 0.0000 34535.1613 -148982.7331 301.6042 -183517.8944 -148889.9065 299.6318 -2.1959 27.1191 556989.8807 -2.5309 -2.6829 PRESSURE: 2249600 242.405 25.2272 67.1679 25.2274 -13.4743 -173.127 67.1682 -173.128 -40.1112 GPRESSURE: 2249600 241.985 73.8673 64.0562 -42.1444 37.4284 -113.225 58.6206 -148.895 0.466675 PRESSAVG: 2249600 -33.1588 -17.1387 -43.7774 -17.1388 -11.7091 -2.42403 -43.7774 -2.42413 38.0753 GPRESSAVG: 2249600 -32.9319 -17.7541 -44.2731 -16.8787 -10.3511 -2.68784 -43.1454 -2.4008 36.2354 TIMING: 2249600 CPU: 6716.36, 0.0029535/step Wall: 6716.36, 0.0029535/step, 2.25647 hours remaining, 206.203125 MB of memory in use. ENERGY: 2249600 763.1449 2050.5412 1956.6399 106.9075 -206011.9275 17868.4645 0.0000 0.0000 34332.5059 -148933.7237 299.8343 -183266.2296 -148834.3082 300.1031 62.9398 93.2933 556734.0203 -2.2642 -2.3492 PRESSURE: 2249800 -203.105 64.2283 118.156 64.2283 -58.786 37.8143 118.156 37.8143 -14.54 GPRESSURE: 2249800 -150.169 101.79 140.162 -32.2808 -47.8354 117.158 84.6131 -49.5329 24.3743 PRESSAVG: 2249800 77.1496 1.52777 15.2004 1.52778 34.1747 -12.0313 15.2003 -12.0314 -9.37587 GPRESSAVG: 2249800 75.5671 0.747752 14.7549 0.0254325 33.6138 -9.74417 15.8923 -12.0325 -7.62388 TIMING: 2249800 CPU: 6716.96, 0.00299019/step Wall: 6716.96, 0.00299019/step, 2.28434 hours remaining, 206.203125 MB of memory in use. ENERGY: 2249800 748.8569 2095.6866 1911.2113 112.1803 -205610.9952 17562.2403 0.0000 0.0000 34150.1122 -149030.7077 298.2414 -183180.8199 -148936.9432 299.6648 -92.1437 -57.8767 558044.1626 33.9828 33.8524 PRESSURE: 2250000 -41.052 -9.11025 -12.5445 -9.10989 49.8199 -131.886 -12.5445 -131.886 -0.042072 GPRESSURE: 2250000 0.610171 -20.0765 47.505 -53.2056 84.4332 -64.6982 1.54745 -86.1212 15.7577 PRESSAVG: 2250000 10.2186 7.50154 -27.5986 7.50143 -7.79464 -33.6755 -27.5986 -33.6755 6.6644 GPRESSAVG: 2250000 11.3094 7.69254 -27.4448 10.9835 -8.00674 -35.0441 -31.5969 -34.0002 6.25915 TIMING: 2250000 CPU: 6717.56, 0.00300492/step Wall: 6717.56, 0.00300492/step, 2.29543 hours remaining, 206.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2250000 734.7832 2089.7336 1936.1362 108.5148 -205849.7609 17733.3600 0.0000 0.0000 34175.5813 -149071.6518 298.4639 -183247.2331 -148974.1463 299.4972 2.9086 33.6004 559241.5488 3.0295 3.1873 PRESSURE: 2250200 -297.935 -115.417 46.3056 -115.416 -334.594 75.1599 46.3051 75.1575 -173.681 GPRESSURE: 2250200 -291.273 47.2526 -21.0187 -190.899 -287.553 35.5488 -10.7377 37.0544 -131.442 PRESSAVG: 2250200 -3.7695 -0.580702 -0.498043 -0.580836 -28.29 -14.206 -0.498092 -14.2059 -20.7349 GPRESSAVG: 2250200 -3.43924 1.94301 -1.62654 -1.59404 -27.6948 -13.3076 1.8834 -14.9348 -21.4801 TIMING: 2250200 CPU: 6718.17, 0.00302028/step Wall: 6718.17, 0.00302028/step, 2.30699 hours remaining, 206.203125 MB of memory in use. ENERGY: 2250200 761.7553 2055.8202 1942.6071 128.1750 -205613.0466 17516.8798 0.0000 0.0000 34307.7500 -148900.0592 299.6181 -183207.8092 -148811.2665 299.7812 -268.7366 -236.7560 560489.3219 -17.5981 -17.5380 PRESSURE: 2250400 91.9025 -88.6794 -15.2974 -88.68 -7.22278 -122.483 -15.2973 -122.482 -93.0219 GPRESSURE: 2250400 75.295 -133.797 38.6055 -112.759 35.4309 -140.841 -89.7261 -1.4607 -23.4191 PRESSAVG: 2250400 1.22559 -12.5042 27.7303 -12.5041 31.7554 2.9877 27.7303 2.98768 -44.982 GPRESSAVG: 2250400 -0.305827 -14.0357 28.0904 -13.184 33.0186 3.26412 28.0645 5.30579 -44.4435 TIMING: 2250400 CPU: 6718.76, 0.0029759/step Wall: 6718.76, 0.0029759/step, 2.27293 hours remaining, 206.203125 MB of memory in use. ENERGY: 2250400 787.6402 2058.2022 1939.5360 108.7092 -206284.9240 17839.7377 0.0000 0.0000 34337.5034 -149213.5952 299.8780 -183551.0986 -149114.5593 299.5594 -2.7807 29.1023 558610.5439 -4.0003 -3.9102 PRESSURE: 2250600 53.8195 -181.964 67.4443 -181.965 -170.345 -113.99 67.443 -113.99 -115.039 GPRESSURE: 2250600 55.7549 -216.418 60.9415 -99.4178 -142.943 -115.764 49.5975 -89.8092 -51.8037 PRESSAVG: 2250600 4.31452 -0.0739149 -15.378 -0.0739833 30.4453 10.5231 -15.378 10.523 3.16902 GPRESSAVG: 2250600 5.79802 -0.772719 -12.6032 0.405062 29.0083 7.98331 -18.0758 8.63822 3.28077 TIMING: 2250600 CPU: 6719.36, 0.00298566/step Wall: 6719.36, 0.00298566/step, 2.28022 hours remaining, 206.203125 MB of memory in use. ENERGY: 2250600 728.0779 2072.1154 1911.7668 118.2580 -206002.9494 17656.8941 0.0000 0.0000 34360.0992 -149155.7379 300.0753 -183515.8371 -149058.8824 299.2199 -77.1883 -46.3307 559282.3304 12.6430 12.6957 PRESSURE: 2250800 207.461 -99.5179 38.328 -99.5199 50.9277 129.55 38.3277 129.551 116.756 GPRESSURE: 2250800 187.441 -120.891 4.74984 -71.0553 145.059 174.017 40.0706 128.79 129.749 PRESSAVG: 2250800 -42.0704 -18.2656 24.7515 -18.2656 34.8046 -16.6204 24.7516 -16.6204 12.5314 GPRESSAVG: 2250800 -42.8326 -16.5823 23.3143 -17.8881 35.5563 -14.8059 26.7052 -16.6134 12.7137 TIMING: 2250800 CPU: 6719.95, 0.00297102/step Wall: 6719.95, 0.00297102/step, 2.26887 hours remaining, 206.203125 MB of memory in use. ENERGY: 2250800 742.5260 2129.0827 1932.8728 119.3287 -206553.6815 18056.7469 0.0000 0.0000 34274.6603 -149298.4641 299.3291 -183573.1244 -149206.7292 299.0844 125.0481 154.0830 557793.4207 1.7552 1.8125 PRESSURE: 2251000 -448.163 123.334 185.708 123.334 -125.881 -47.7386 185.709 -47.7391 -303.614 GPRESSURE: 2251000 -384.46 104.18 217.84 104.616 -100.696 -46.173 191.926 3.49675 -290.596 PRESSAVG: 2251000 -55.7763 60.222 -38.2011 60.2219 78.018 -8.16285 -38.2011 -8.16289 6.56027 GPRESSAVG: 2251000 -54.602 58.7749 -39.6736 60.9517 75.564 -8.86397 -36.1479 -6.278 7.66734 TIMING: 2251000 CPU: 6720.55, 0.00298474/step Wall: 6720.55, 0.00298474/step, 2.27918 hours remaining, 206.203125 MB of memory in use. ENERGY: 2251000 730.8439 2043.1779 1954.6659 130.3847 -205394.5645 17236.2850 0.0000 0.0000 34154.7029 -149144.5041 298.2815 -183299.2070 -149042.0834 299.0323 -292.5525 -258.5839 560143.4688 9.6007 9.5431 PRESSURE: 2251200 -188.819 -27.8037 110.598 -27.8026 -32.9227 -49.2435 110.599 -49.2437 -187.297 GPRESSURE: 2251200 -152.138 48.6875 67.9742 -181.938 -4.76106 -74.3258 123.364 -89.4281 -154.534 PRESSAVG: 2251200 -90.2277 -11.6849 50.6005 -11.6849 49.0648 72.7508 50.6006 72.7508 21.1022 GPRESSAVG: 2251200 -90.8109 -10.8256 52.0039 -12.2342 49.9077 72.7845 49.7792 72.9632 20.5873 TIMING: 2251200 CPU: 6721.14, 0.00296884/step Wall: 6721.14, 0.00296884/step, 2.26687 hours remaining, 206.203125 MB of memory in use. ENERGY: 2251200 714.7664 2089.7043 1936.5018 114.7495 -205592.1746 17424.3184 0.0000 0.0000 34216.9338 -149095.2004 298.8250 -183312.1342 -149000.9025 299.1446 -136.3464 -103.8109 558199.5742 -6.6869 -6.7720 PRESSURE: 2251400 92.3248 -22.3307 -119.882 -22.3311 28.0503 85.7961 -119.881 85.7971 -193.438 GPRESSURE: 2251400 88.0741 -64.0181 -36.8485 -31.5529 129.006 115.726 -108.181 116.348 -189.684 PRESSAVG: 2251400 -34.4726 -0.304216 -23.3768 -0.304146 73.5238 2.42242 -23.3768 2.42248 -38.6556 GPRESSAVG: 2251400 -34.414 -1.09544 -22.6366 -0.867764 75.928 1.22427 -23.8117 1.59893 -40.741 TIMING: 2251400 CPU: 6721.73, 0.00295622/step Wall: 6721.73, 0.00295622/step, 2.25707 hours remaining, 206.203125 MB of memory in use. ENERGY: 2251400 718.6501 2135.9190 1928.6746 118.9889 -206162.7460 17771.1851 0.0000 0.0000 34356.6669 -149132.6614 300.0453 -183489.3283 -149040.3755 299.0564 -24.3542 9.1321 558573.5648 0.1318 0.2577 PRESSURE: 2251600 79.6903 197.628 22.8836 197.628 -18.705 14.4171 22.8833 14.4155 121.138 GPRESSURE: 2251600 98.3334 88.1567 -2.51183 261.679 35.5086 103.424 12.1578 6.85525 152.463 PRESSAVG: 2251600 -25.8036 30.4124 13.5741 30.4124 41.878 8.03045 13.5742 8.03039 -20.5824 GPRESSAVG: 2251600 -25.0473 30.0799 11.8701 29.0033 40.9146 10.5564 14.3786 7.30433 -20.4877 TIMING: 2251600 CPU: 6722.32, 0.00295583/step Wall: 6722.32, 0.00295583/step, 2.25661 hours remaining, 206.203125 MB of memory in use. ENERGY: 2251600 758.4168 2132.8821 1909.2827 100.2368 -206283.0724 17912.1418 0.0000 0.0000 34276.9403 -149193.1717 299.3490 -183470.1120 -149096.6337 299.6129 60.7079 95.4349 557286.1112 -1.5027 -1.5402 PRESSURE: 2251800 65.8185 -78.9188 -244.602 -78.9172 -243.196 192.809 -244.603 192.809 52.0565 GPRESSURE: 2251800 135.655 -46.4657 -176.005 -65.947 -276.966 243.032 -247.534 193.956 102.828 PRESSAVG: 2251800 -34.8904 -12.4292 29.6718 -12.4292 5.69431 25.7963 29.6717 25.7962 37.6779 GPRESSAVG: 2251800 -35.1347 -12.529 30.5175 -11.218 5.86058 26.503 26.9301 25.0904 37.6504 TIMING: 2251800 CPU: 6722.92, 0.00295138/step Wall: 6722.92, 0.00295138/step, 2.25305 hours remaining, 206.203125 MB of memory in use. ENERGY: 2251800 760.8611 2066.9078 1920.9273 113.2478 -206075.1755 17856.9547 0.0000 0.0000 34135.7536 -149220.5233 298.1160 -183356.2769 -149122.5905 299.2182 -41.7736 -12.8276 557185.8284 2.8273 2.7921 PRESSURE: 2252000 296.879 -132.795 36.9692 -132.798 197.566 14.0538 36.969 14.0533 312.023 GPRESSURE: 2252000 331.267 -129.115 -71.4599 -204.191 238.507 50.83 33.0119 22.0825 324.829 PRESSAVG: 2252000 -20.2066 -35.0017 -41.4755 -35.0017 -56.9151 34.1394 -41.4755 34.1394 57.6707 GPRESSAVG: 2252000 -19.5384 -36.1165 -42.9455 -35.9549 -57.8675 32.4132 -38.368 37.0575 58.5093 TIMING: 2252000 CPU: 6723.5, 0.00292831/step Wall: 6723.5, 0.00292831/step, 2.23528 hours remaining, 206.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2252000 765.1765 2125.6147 1922.9034 119.1596 -206690.7847 18387.3053 0.0000 0.0000 34223.6865 -149146.9387 298.8840 -183370.6252 -149055.5227 299.3206 268.8226 298.2010 557251.4939 -6.4837 -6.2989 PRESSURE: 2252200 -0.626908 -87.5064 -14.4483 -87.5063 121.332 -10.6211 -14.4481 -10.6222 -123.725 GPRESSURE: 2252200 54.6458 -122.772 -50.8048 -54.0473 119.3 42.6684 71.6002 -45.837 -79.3571 PRESSAVG: 2252200 -37.6361 -26.8915 -46.8099 -26.8916 -6.09168 -13.7453 -46.8098 -13.7453 52.2722 GPRESSAVG: 2252200 -37.3004 -24.0461 -43.6289 -26.2715 -5.88768 -14.6004 -48.8728 -13.4067 52.0822 TIMING: 2252200 CPU: 6724.09, 0.00292175/step Wall: 6724.09, 0.00292175/step, 2.2301 hours remaining, 206.203125 MB of memory in use. ENERGY: 2252200 707.6042 2087.6428 1938.2913 119.3106 -206093.5969 17862.5680 0.0000 0.0000 34319.7146 -149058.4655 299.7226 -183378.1801 -148960.1963 299.3340 -1.0065 31.5295 557378.7097 2.8481 2.9647 LDB: ============= START OF LOAD BALANCING ============== 6727.63 LDB: ============== END OF LOAD BALANCING =============== 6727.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6727.63 LDB: ============= START OF LOAD BALANCING ============== 6727.92 LDB: Largest compute 4773 load 0.030770 is 26.0% of average load 0.118231 LDB: Average compute 0.001721 is 1.5% of average load 0.118231 LDB: TIME 6727.92 LOAD: AVG 0.118231 MAX 0.196667 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.738 MB LDB: TIME 6727.92 LOAD: AVG 0.118231 MAX 0.196667 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.941 MB LDB: TIME 6727.92 LOAD: AVG 0.118231 MAX 0.196667 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6727.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6727.93 PRESSURE: 2252400 -104.047 -102.283 -0.993616 -102.282 51.4346 -21.4825 -0.994518 -21.4827 220.378 GPRESSURE: 2252400 -96.7225 -109.917 63.7955 -84.877 110.779 -1.41559 -59.202 -28.8558 253.721 PRESSAVG: 2252400 20.7714 -37.4702 -30.726 -37.4701 -60.42 -41.4732 -30.726 -41.4731 29.2053 GPRESSAVG: 2252400 20.5851 -38.6577 -32.4644 -38.1442 -59.9601 -38.9805 -30.8722 -44.7712 29.5988 TIMING: 2252400 CPU: 6724.68, 0.00297662/step Wall: 6724.68, 0.00297662/step, 2.27182 hours remaining, 206.000000 MB of memory in use. ENERGY: 2252400 717.2856 2128.0017 1943.2347 121.9142 -206113.1426 17818.1647 0.0000 0.0000 34194.7333 -149189.8084 298.6311 -183384.5417 -149089.3688 299.0663 55.9217 89.2591 557555.5705 -3.4811 -3.2587 PRESSURE: 2252600 -44.9764 2.89201 -125.648 2.89303 -15.4033 85.9227 -125.647 85.9216 -246.062 GPRESSURE: 2252600 4.54455 32.7212 -92.2735 -56.9868 -3.98002 106.63 -129.758 -32.9619 -205.717 PRESSAVG: 2252600 -16.462 -8.38236 22.6914 -8.38237 22.7227 1.79677 22.6914 1.79671 -35.6522 GPRESSAVG: 2252600 -16.5616 -7.96324 22.4147 -8.20547 23.049 0.0932005 24.6652 2.64773 -35.6432 TIMING: 2252600 CPU: 6725.27, 0.00293321/step Wall: 6725.27, 0.00293321/step, 2.23853 hours remaining, 206.000000 MB of memory in use. ENERGY: 2252600 735.4861 2046.9038 1970.9302 106.8151 -205988.7330 17596.8053 0.0000 0.0000 34263.7788 -149268.0137 299.2341 -183531.7925 -149170.0125 299.1493 -102.1472 -68.3843 557916.1631 -9.7972 -9.7186 PRESSURE: 2252800 -69.8914 16.6831 -222.136 16.6836 138.873 125.464 -222.136 125.464 -190.894 GPRESSURE: 2252800 -117.202 0.835038 -198.37 38.2238 220.647 81.9394 -230.485 115.547 -137.068 PRESSAVG: 2252800 52.8942 0.639925 -4.63264 0.639993 45.0527 65.6594 -4.6326 65.6595 -85.553 GPRESSAVG: 2252800 52.8268 0.251354 -4.5976 0.305951 45.3675 66.7977 -5.18146 68.2477 -85.5984 TIMING: 2252800 CPU: 6725.86, 0.00294325/step Wall: 6725.86, 0.00294325/step, 2.24602 hours remaining, 206.000000 MB of memory in use. ENERGY: 2252800 759.6764 2142.3180 1934.8339 113.6474 -206116.5477 17783.2640 0.0000 0.0000 34284.0457 -149098.7623 299.4111 -183382.8079 -148999.2626 299.4345 -40.6376 -11.2075 557508.2770 4.1313 4.1986 PRESSURE: 2253000 -155.035 -66.0719 -81.8355 -66.0717 -13.4546 19.0911 -81.8353 19.091 88.1284 GPRESSURE: 2253000 -139.159 -67.3647 -154.119 8.55371 5.99621 -47.9675 -61.9763 -6.47002 158.746 PRESSAVG: 2253000 3.78203 36.8793 -40.7528 36.8793 -7.42353 -30.4913 -40.7528 -30.4912 -12.7438 GPRESSAVG: 2253000 3.13179 35.3728 -40.3698 38.2725 -7.49112 -31.5567 -41.6388 -31.7547 -12.1457 TIMING: 2253000 CPU: 6726.45, 0.00296353/step Wall: 6726.45, 0.00296353/step, 2.26134 hours remaining, 206.000000 MB of memory in use. ENERGY: 2253000 734.6146 2167.8267 1926.6445 118.1019 -205966.0733 17786.0076 0.0000 0.0000 34104.6644 -149128.2136 297.8445 -183232.8780 -149035.2620 299.8025 -26.7871 8.5277 559344.0362 -5.4618 -5.5017 PRESSURE: 2253200 -118.366 -62.4463 -288 -62.4465 30.5579 -86.5451 -287.999 -86.5439 226.734 GPRESSURE: 2253200 -62.8748 -97.8064 -243.962 -2.50391 90.424 -109.211 -231.473 -57.7631 208.592 PRESSAVG: 2253200 -11.1448 -15.4192 -33.9445 -15.4192 32.3175 -26.9653 -33.9444 -26.9652 -39.766 GPRESSAVG: 2253200 -11.1628 -14.7877 -34.4143 -12.8497 32.6506 -24.8967 -34.6028 -26.4542 -40.2838 TIMING: 2253200 CPU: 6727.04, 0.00293931/step Wall: 6727.04, 0.00293931/step, 2.2427 hours remaining, 206.000000 MB of memory in use. ENERGY: 2253200 743.5317 2052.5116 1911.7114 105.7155 -205971.6136 17781.8649 0.0000 0.0000 34235.0286 -149141.2499 298.9830 -183376.2785 -149040.8680 299.5697 46.3087 78.7138 558720.6775 -6.1978 -6.2653 PRESSURE: 2253400 -109.291 -64.2653 -20.1638 -64.2654 -135.113 -145.594 -20.1629 -145.595 56.5249 GPRESSURE: 2253400 -44.0042 -21.5904 -124.34 -87.446 -152.819 -123.851 62.9661 -92.4505 97.7487 PRESSAVG: 2253400 -61.7846 55.6747 -61.8699 55.6748 17.9179 -6.00223 -61.8697 -6.00232 54.028 GPRESSAVG: 2253400 -61.6816 53.9495 -60.9404 52.996 17.5469 -5.43324 -61.3637 -6.13839 53.4956 TIMING: 2253400 CPU: 6727.63, 0.00294983/step Wall: 6727.63, 0.00294983/step, 2.25056 hours remaining, 206.203125 MB of memory in use. ENERGY: 2253400 720.4035 2070.7365 1898.5340 111.7369 -205854.2881 17709.6686 0.0000 0.0000 34286.4679 -149056.7407 299.4323 -183343.2086 -148963.3198 299.1299 -62.6264 -33.0249 559853.4234 3.3871 3.1203 PRESSURE: 2253600 48.1208 -2.06587 87.3194 -2.06574 -18.743 -94.2504 87.3187 -94.2518 -98.6959 GPRESSURE: 2253600 91.0193 -4.36382 224.371 -78.0286 45.027 -104.969 65.6094 -131.742 -102.435 PRESSAVG: 2253600 47.0493 13.7422 20.7419 13.7423 -27.8369 11.3966 20.7419 11.3964 16.5902 GPRESSAVG: 2253600 47.0602 14.4236 20.7942 13.2163 -28.9917 9.3316 22.0308 10.3319 18.0851 TIMING: 2253600 CPU: 6728.22, 0.00297079/step Wall: 6728.22, 0.00297079/step, 2.26638 hours remaining, 206.203125 MB of memory in use. ENERGY: 2253600 741.5427 2067.2013 1900.5235 110.2735 -205601.5271 17701.1687 0.0000 0.0000 34264.4271 -148816.3904 299.2398 -183080.8175 -148731.2954 300.6899 -23.1060 11.2036 558209.2897 11.9342 12.0512 PRESSURE: 2253800 -101.017 -47.8658 -82.6378 -47.8658 -289.039 64.7147 -82.6365 64.7168 -227.925 GPRESSURE: 2253800 -83.525 33.7328 -129.577 -88.6034 -209.106 77.8874 -70.8971 105.591 -230.023 PRESSAVG: 2253800 -3.04674 0.755437 -1.12535 0.755498 -15.9018 33.1805 -1.12524 33.1807 -28.9161 GPRESSAVG: 2253800 -3.91178 0.767865 -3.76437 -0.466404 -13.8326 33.2407 0.494629 34.2976 -30.2009 TIMING: 2253800 CPU: 6728.81, 0.00296866/step Wall: 6728.81, 0.00296866/step, 2.26459 hours remaining, 206.203125 MB of memory in use. ENERGY: 2253800 776.1638 2059.7899 1926.7637 118.7789 -205376.6539 17310.6539 0.0000 0.0000 34400.3027 -148784.2009 300.4264 -183184.5037 -148683.2672 300.1597 -205.9935 -174.2180 559673.8274 -15.9549 -15.9817 PRESSURE: 2254000 -72.2904 -10.6002 -1.1383 -10.6 -43.6567 -84.0066 -1.13782 -84.0085 -196.724 GPRESSURE: 2254000 -81.7189 -93.9005 -68.541 72.3652 16.6135 -51.8552 91.9284 -92.4069 -145.27 PRESSAVG: 2254000 62.6989 -8.47864 -28.6654 -8.47868 -10.9338 13.2662 -28.6653 13.2662 -62.194 GPRESSAVG: 2254000 62.3075 -9.02176 -26.6045 -6.43913 -11.4457 13.1679 -30.4772 13.0334 -61.4537 TIMING: 2254000 CPU: 6729.41, 0.00297159/step Wall: 6729.41, 0.00297159/step, 2.26666 hours remaining, 206.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2254000 762.3075 2157.5530 1915.1244 130.1335 -205882.5130 17672.6627 0.0000 0.0000 34342.4202 -148902.3117 299.9209 -183244.7319 -148818.0468 300.4103 -104.2238 -70.1251 560650.2243 -3.4763 -3.5306 PRESSURE: 2254200 112.831 -63.3966 -27.7671 -63.3958 171.903 42.9615 -27.7687 42.9609 218.085 GPRESSURE: 2254200 135.044 -133.785 -58.3428 -43.3312 215.777 95.5782 81.2296 -18.9832 236.406 PRESSAVG: 2254200 16.7682 4.98875 11.2654 4.98874 13.9958 50.7187 11.2653 50.7187 -39.4624 GPRESSAVG: 2254200 16.2289 5.12817 12.6676 6.50485 16.101 50.9346 8.5371 49.195 -41.1058 TIMING: 2254200 CPU: 6730, 0.00296473/step Wall: 6730, 0.00296473/step, 2.26127 hours remaining, 206.242188 MB of memory in use. ENERGY: 2254200 791.5631 2131.2476 1921.6604 108.9342 -206100.2776 18007.4437 0.0000 0.0000 34146.9638 -148992.4649 298.2139 -183139.4287 -148904.6179 299.4407 167.6064 195.7423 558071.8933 -2.8995 -2.9253 PRESSURE: 2254400 55.585 242.774 -43.2562 242.772 -26.7386 109.123 -43.2552 109.123 244.056 GPRESSURE: 2254400 80.0863 284.421 -90.0295 127.045 -22.1647 93.2783 -34.1793 65.5801 303.986 PRESSAVG: 2254400 44.5317 -0.808216 -17.8398 -0.808265 -71.1168 -15.875 -17.8398 -15.8749 -8.00028 GPRESSAVG: 2254400 44.6468 -1.39337 -18.8072 -2.95704 -72.266 -17.382 -17.5231 -14.3956 -6.76047 TIMING: 2254400 CPU: 6730.59, 0.00296002/step Wall: 6730.59, 0.00296002/step, 2.25751 hours remaining, 206.242188 MB of memory in use. ENERGY: 2254400 723.8118 2099.9170 1951.5046 113.9804 -206338.5484 18036.6994 0.0000 0.0000 34197.7374 -149214.8977 298.6573 -183412.6351 -149124.6351 299.2061 90.9673 120.6360 560086.7985 -11.5285 -11.4599 PRESSURE: 2254600 106.696 38.1369 98.4415 38.1367 57.4408 -64.4089 98.4422 -64.4092 -102.473 GPRESSURE: 2254600 171.115 88.8287 201.989 54.0478 88.9178 51.2218 76.5609 -50.2129 -99.4021 PRESSAVG: 2254600 16.9029 16.2537 -16.1149 16.2538 -33.2292 0.546606 -16.1149 0.546441 18.6706 GPRESSAVG: 2254600 17.589 16.9275 -12.591 16.8373 -32.9877 2.63019 -16.5093 -0.52579 18.1611 TIMING: 2254600 CPU: 6731.18, 0.00294618/step Wall: 6731.18, 0.00294618/step, 2.24679 hours remaining, 206.242188 MB of memory in use. ENERGY: 2254600 719.6490 2096.2893 1948.7492 124.2570 -206306.5001 17968.7847 0.0000 0.0000 34356.9252 -149091.8457 300.0476 -183448.7709 -149000.3116 299.5502 20.5547 53.5437 559178.5055 0.7814 0.9208 PRESSURE: 2254800 18.1619 117.5 24.1808 117.501 -128.939 22.7987 24.1795 22.7982 -45.6073 GPRESSURE: 2254800 112.429 83.0348 118.888 97.3837 -160.014 -13.2523 -45.5247 57.2537 -11.4644 PRESSAVG: 2254800 -38.1836 52.5778 -39.9429 52.5778 29.3687 -10.6462 -39.9429 -10.6462 4.33553 GPRESSAVG: 2254800 -37.3212 52.1799 -42.6128 54.3908 28.675 -9.73349 -38.5739 -10.743 4.04308 TIMING: 2254800 CPU: 6731.77, 0.00293912/step Wall: 6731.77, 0.00293912/step, 2.24124 hours remaining, 206.242188 MB of memory in use. ENERGY: 2254800 729.6724 2119.5676 1890.6223 119.5041 -206155.0584 17858.8168 0.0000 0.0000 34278.8000 -149158.0752 299.3653 -183436.8751 -149060.3975 299.2443 -52.1280 -19.6831 558884.0968 -1.4931 -1.5344 PRESSURE: 2255000 -23.5084 -178.496 181.878 -178.495 70.947 -41.4195 181.879 -41.4187 51.8972 GPRESSURE: 2255000 -1.01421 -171.077 150.231 -81.2906 95.1236 -33.1684 103.611 -25.2333 104.848 PRESSAVG: 2255000 13.8999 17.287 -34.5208 17.2871 26.9676 -20.6776 -34.5208 -20.6775 -22.1146 GPRESSAVG: 2255000 13.2514 18.0757 -37.6181 15.4204 27.9024 -22.0716 -31.4399 -19.61 -22.0122 TIMING: 2255000 CPU: 6732.36, 0.00295527/step Wall: 6732.36, 0.00295527/step, 2.2534 hours remaining, 206.242188 MB of memory in use. ENERGY: 2255000 743.8879 2094.2097 1934.4854 103.4334 -205875.7244 17771.8504 0.0000 0.0000 34137.9792 -149089.8785 298.1355 -183227.8576 -148993.5655 299.2562 33.1119 66.3191 558176.1951 6.2510 6.3805 PRESSURE: 2255200 -168.76 -142.689 -124.694 -142.691 -183.39 31.0213 -124.694 31.0219 -179.509 GPRESSURE: 2255200 -103.254 -79.8033 -44.9891 -245.051 -149.391 -116.288 -24.6022 63.8311 -177.349 PRESSAVG: 2255200 -25.1859 4.92784 -95.2276 4.92782 64.2475 -33.142 -95.2274 -33.142 -31.2647 GPRESSAVG: 2255200 -22.7927 6.12695 -93.8639 6.09262 63.3247 -33.409 -96.6217 -32.7879 -32.144 TIMING: 2255200 CPU: 6732.95, 0.00296673/step Wall: 6732.95, 0.00296673/step, 2.26196 hours remaining, 206.242188 MB of memory in use. ENERGY: 2255200 760.4332 2064.6507 1953.5500 108.4845 -206103.8881 17688.7065 0.0000 0.0000 34455.2040 -149072.8591 300.9059 -183528.0631 -148970.6395 298.8951 -177.2197 -143.3311 559312.9077 2.5990 2.7960 PRESSURE: 2255400 -87.0501 -101.056 16.5135 -101.057 -315.719 -109.056 16.514 -109.055 -207.335 GPRESSURE: 2255400 12.076 -131.884 15.636 -136.508 -315.901 -16.9625 68.506 -123.422 -197.548 PRESSAVG: 2255400 -21.9178 -40.2931 -10.2155 -40.2931 8.47294 -5.84588 -10.2156 -5.8459 28.3034 GPRESSAVG: 2255400 -22.9353 -41.7342 -7.88479 -39.5544 9.1218 -4.96202 -10.4159 -6.00194 28.4209 TIMING: 2255400 CPU: 6733.55, 0.00295891/step Wall: 6733.55, 0.00295892/step, 2.25584 hours remaining, 206.242188 MB of memory in use. ENERGY: 2255400 755.4038 2052.1904 1950.1168 113.4059 -206258.4472 17711.2639 0.0000 0.0000 34397.8597 -149278.2067 300.4051 -183676.0664 -149186.2237 299.6343 -203.3682 -167.1245 558113.4239 4.9529 4.8691 PRESSURE: 2255600 -97.5387 -39.2079 -84.8694 -39.2079 95.077 253.072 -84.8704 253.072 -47.0168 GPRESSURE: 2255600 -73.2772 -30.2399 -140.422 -100.161 106.956 210.498 -61.6729 251.202 4.80111 PRESSAVG: 2255600 -1.39596 -23.6043 28.7497 -23.6042 -33.8891 -2.53434 28.7497 -2.53428 73.9785 GPRESSAVG: 2255600 -2.30031 -24.1757 26.265 -25.8846 -33.7515 -2.21422 28.834 -4.73865 75.5252 TIMING: 2255600 CPU: 6734.14, 0.0029561/step Wall: 6734.14, 0.0029561/step, 2.25353 hours remaining, 206.242188 MB of memory in use. ENERGY: 2255600 760.3888 2158.3091 1929.5987 118.3178 -206070.0046 17670.6773 0.0000 0.0000 34215.3344 -149217.3784 298.8110 -183432.7128 -149121.5506 299.2569 -16.4928 12.8268 556313.6147 12.8978 13.1578 PRESSURE: 2255800 39.7654 173.96 -35.6131 173.96 -70.3713 -103.998 -35.6137 -103.997 21.5621 GPRESSURE: 2255800 61.117 163.934 -48.9701 190.224 -42.8624 -164.939 25.2929 -90.219 71.2505 PRESSAVG: 2255800 17.0244 29.3245 2.15715 29.3245 -11.9189 -6.44166 2.15709 -6.44162 -8.48627 GPRESSAVG: 2255800 17.583 29.1555 1.03547 29.3847 -11.9098 -8.07337 1.91068 -4.3269 -9.3912 TIMING: 2255800 CPU: 6734.73, 0.00297981/step Wall: 6734.73, 0.00297981/step, 2.27144 hours remaining, 206.242188 MB of memory in use. ENERGY: 2255800 736.8986 2190.2418 1912.5870 116.9161 -206323.8986 17788.8539 0.0000 0.0000 34445.9552 -149132.4460 300.8251 -183578.4012 -149043.6195 299.7118 -3.0146 29.8350 556735.2056 -1.1269 -1.2393 PRESSURE: 2256000 -134.031 0.804246 12.7046 0.804638 -139.934 -2.97256 12.7054 -2.97248 -189.786 GPRESSURE: 2256000 -84.064 51.4994 -0.412804 1.47526 -150.544 -17.9483 -14.3715 -62.5514 -135.907 PRESSAVG: 2256000 -36.5855 -47.1858 -0.119991 -47.1858 53.9759 -55.8258 -0.120059 -55.8258 -10.7438 GPRESSAVG: 2256000 -36.1469 -44.8202 -1.00486 -46.2449 54.1881 -52.2611 -0.18802 -57.7011 -10.8379 TIMING: 2256000 CPU: 6735.33, 0.00297351/step Wall: 6735.33, 0.00297351/step, 2.26648 hours remaining, 206.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2256000 766.3301 2152.4136 1926.3177 114.7241 -205811.9287 17550.2724 0.0000 0.0000 34342.0316 -148959.8392 299.9175 -183301.8709 -148861.3048 300.0955 -154.5836 -123.5048 556919.9718 2.2155 2.4011 PRESSURE: 2256200 196.664 -82.6319 83.19 -82.6328 35.0693 3.67409 83.1904 3.67318 -455.696 GPRESSURE: 2256200 187.063 -118.967 90.6847 -68.7842 75.3337 -3.38474 62.1186 6.62672 -390.934 PRESSAVG: 2256200 -48.5022 4.21605 16.0622 4.21602 10.3609 26.0264 16.0622 26.0265 12.9624 GPRESSAVG: 2256200 -49.4695 0.489504 19.2264 5.43119 11.1013 24.5068 15.7718 27.8484 13.4411 TIMING: 2256200 CPU: 6735.92, 0.00298176/step Wall: 6735.92, 0.00298176/step, 2.2726 hours remaining, 206.242188 MB of memory in use. ENERGY: 2256200 769.1871 2098.8315 1946.9906 111.8899 -206077.6994 17773.0425 0.0000 0.0000 34409.5230 -148968.2348 300.5069 -183377.7579 -148863.6754 300.3087 -74.6542 -42.8457 557989.8398 -8.3930 -8.3090 LDB: ============= START OF LOAD BALANCING ============== 6739.47 LDB: ============== END OF LOAD BALANCING =============== 6739.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6739.47 LDB: ============= START OF LOAD BALANCING ============== 6739.77 LDB: Largest compute 4773 load 0.031380 is 26.5% of average load 0.118364 LDB: Average compute 0.001722 is 1.5% of average load 0.118364 LDB: TIME 6739.77 LOAD: AVG 0.118364 MAX 0.201719 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 6739.78 LOAD: AVG 0.118364 MAX 0.201719 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: TIME 6739.78 LOAD: AVG 0.118364 MAX 0.201719 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: ============== END OF LOAD BALANCING =============== 6739.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6739.78 PRESSURE: 2256400 -12.0438 65.8867 39.9544 65.8883 -20.9594 15.996 39.9542 15.997 -211.233 GPRESSURE: 2256400 -2.63564 59.4455 30.4806 122.93 13.6039 38.21 106.555 48.2337 -144.851 PRESSAVG: 2256400 -9.16306 -18.0053 -3.95024 -18.0053 89.11 -20.233 -3.95026 -20.2331 -37.1754 GPRESSAVG: 2256400 -7.94816 -16.8212 -3.66716 -18.2787 87.7371 -19.5847 -4.49022 -21.5474 -37.1491 TIMING: 2256400 CPU: 6736.53, 0.00303147/step Wall: 6736.53, 0.00303147/step, 2.31032 hours remaining, 206.714844 MB of memory in use. ENERGY: 2256400 774.9088 2069.5068 1943.4689 117.3939 -205920.3506 17789.3041 0.0000 0.0000 34319.7876 -148905.9805 299.7232 -183225.7681 -148801.6225 300.3446 -81.4120 -44.6275 557552.0848 14.2572 14.2133 PRESSURE: 2256600 -110.711 121.768 16.4409 121.768 26.9541 49.4632 16.4409 49.4627 -125.46 GPRESSURE: 2256600 -122.287 109.991 -29.4163 43.1443 57.3933 112.408 47.6714 -6.32928 -50.4278 PRESSAVG: 2256600 18.488 4.14848 13.4741 4.14857 47.1199 -18.6036 13.4741 -18.6036 -43.7983 GPRESSAVG: 2256600 17.4877 5.51483 12.3629 2.56997 47.1452 -18.4031 15.3224 -17.5861 -42.9613 TIMING: 2256600 CPU: 6737.12, 0.00295563/step Wall: 6737.12, 0.00295563/step, 2.25236 hours remaining, 206.714844 MB of memory in use. ENERGY: 2256600 744.5388 2054.3395 1946.1412 110.1621 -205856.6619 17735.6164 0.0000 0.0000 34185.6303 -149080.2337 298.5516 -183265.8640 -148980.8591 300.1038 -69.7389 -38.4405 558516.2420 7.2699 7.2239 PRESSURE: 2256800 209.159 27.9924 82.1587 27.9921 285.544 49.7072 82.1592 49.7066 99.9424 GPRESSURE: 2256800 303.811 143.899 45.4287 -14.8756 267.355 83.7494 45.1542 79.2763 111.329 PRESSAVG: 2256800 8.91886 55.2115 11.8191 55.2115 34.6 20.248 11.819 20.248 -54.9474 GPRESSAVG: 2256800 9.92213 55.3927 11.7795 55.2502 34.8455 18.4843 11.7875 20.1407 -56.411 TIMING: 2256800 CPU: 6737.72, 0.00298169/step Wall: 6737.72, 0.00298169/step, 2.27205 hours remaining, 206.714844 MB of memory in use. ENERGY: 2256800 698.0406 2118.7457 1945.2926 112.4987 -206434.0551 18047.8006 0.0000 0.0000 34274.9367 -149236.7403 299.3315 -183511.6769 -149145.6033 299.6411 198.2151 227.4984 558654.3141 -3.8095 -3.8811 PRESSURE: 2257000 -151.126 -31.6873 125.547 -31.6877 -182.06 -81.0139 125.548 -81.0144 -215.025 GPRESSURE: 2257000 -167.454 -101.665 150.156 -2.78908 -122.847 -89.1395 101.675 -30.4489 -160.002 PRESSAVG: 2257000 -19.3289 -35.6946 12.8311 -35.6944 3.55078 -12.4094 12.8311 -12.4095 61.5878 GPRESSAVG: 2257000 -19.994 -36.2547 12.5106 -34.5918 4.29313 -11.3748 12.8002 -13.4253 61.6634 TIMING: 2257000 CPU: 6738.31, 0.0029656/step Wall: 6738.31, 0.0029656/step, 2.25962 hours remaining, 206.714844 MB of memory in use. ENERGY: 2257000 734.8179 2109.2615 1948.0284 118.3837 -205779.4852 17682.7254 0.0000 0.0000 33883.3761 -149302.8921 295.9120 -183186.2683 -149205.8794 298.8874 -182.7371 -150.1011 560266.4615 15.2699 15.3209 PRESSURE: 2257200 -15.4466 -142.629 -34.6849 -142.628 -199.831 -5.83848 -34.6849 -5.83855 -43.6281 GPRESSURE: 2257200 54.4272 -117.452 -56.9351 -114.294 -212.869 -15.306 -15.1618 -55.9064 -0.830597 PRESSAVG: 2257200 -36.0503 -9.31847 2.34934 -9.31856 51.35 -12.5162 2.34933 -12.5162 7.69049 GPRESSAVG: 2257200 -34.9438 -9.95435 2.49179 -8.7378 50.5223 -13.282 1.35341 -12.8805 7.70496 TIMING: 2257200 CPU: 6738.91, 0.00297444/step Wall: 6738.91, 0.00297444/step, 2.26619 hours remaining, 206.714844 MB of memory in use. ENERGY: 2257200 765.9936 2074.1387 1904.0937 115.9932 -206060.5666 17777.3413 0.0000 0.0000 34343.4218 -149079.5844 299.9296 -183423.0062 -148991.8942 298.8067 -86.3018 -53.0909 558906.5299 7.6634 7.7612 PRESSURE: 2257400 171.03 93.891 -35.4274 93.8913 -42.1172 -96.2878 -35.4279 -96.2865 -104.57 GPRESSURE: 2257400 138.387 59.7325 13.1122 78.9055 104.205 -72.496 -103.914 -101.52 -105.501 PRESSAVG: 2257400 -14.6521 18.3494 18.1406 18.3495 -6.61509 -47.3285 18.1405 -47.3284 45.4803 GPRESSAVG: 2257400 -15.9801 16.3286 19.3079 17.8064 -6.01961 -48.0366 18.1399 -46.0949 46.1717 TIMING: 2257400 CPU: 6739.5, 0.0029865/step Wall: 6739.5, 0.0029865/step, 2.27522 hours remaining, 206.714844 MB of memory in use. ENERGY: 2257400 705.7271 2098.4769 1915.8908 114.1983 -206042.1118 17908.2005 0.0000 0.0000 34291.8093 -149007.8089 299.4789 -183299.6182 -148910.3611 299.7136 8.1144 45.6970 559098.0731 8.0710 8.0573 PRESSURE: 2257600 -0.48298 -23.2034 -90.0253 -23.2031 86.4327 -31.8922 -90.0244 -31.8923 -478.763 GPRESSURE: 2257600 30.4876 -123.446 -124.964 19.1379 119.419 43.5582 -54.328 -74.4666 -445.763 PRESSAVG: 2257600 -18.1037 -48.2111 33.3998 -48.2109 22.2436 -24.0439 33.3999 -24.0439 -13.3215 GPRESSAVG: 2257600 -17.89 -45.9862 32.1598 -47.3204 23.0498 -21.1266 34.0658 -26.127 -14.1714 TIMING: 2257600 CPU: 6740.1, 0.00296887/step Wall: 6740.1, 0.00296887/step, 2.26162 hours remaining, 206.714844 MB of memory in use. ENERGY: 2257600 756.7078 2083.5927 1913.4785 115.8735 -205759.9905 17604.8333 0.0000 0.0000 34201.7510 -149083.7537 298.6924 -183285.5048 -148985.7905 299.4161 -130.9379 -98.6188 558465.1974 -3.0605 -3.0038 PRESSURE: 2257800 46.8538 -26.3196 -43.8121 -26.3192 -70.6217 199.311 -43.8132 199.312 104.621 GPRESSURE: 2257800 69.638 50.2267 -5.50714 -64.4983 -6.91702 312.785 -75.1791 78.308 112.641 PRESSAVG: 2257800 30.1387 -18.2143 25.5135 -18.2143 1.03649 35.5816 25.5134 35.5816 -27.701 GPRESSAVG: 2257800 29.4987 -17.7164 25.927 -20.4061 0.755208 33.3701 24.5111 37.719 -26.4612 TIMING: 2257800 CPU: 6740.69, 0.00297303/step Wall: 6740.69, 0.00297303/step, 2.26462 hours remaining, 206.714844 MB of memory in use. ENERGY: 2257800 746.9446 2005.4502 1931.6502 111.1445 -206103.5656 17957.4229 0.0000 0.0000 34411.8361 -148939.1171 300.5271 -183350.9532 -148832.5660 299.6656 26.9511 58.4539 559003.5982 1.1581 1.2642 PRESSURE: 2258000 -120.726 100.47 -70.8072 100.469 28.6398 -125.839 -70.8073 -125.839 -8.28043 GPRESSURE: 2258000 -173.682 100.07 -86.8047 -19.0702 72.1387 -156.814 -144.368 -118.182 89.3113 PRESSAVG: 2258000 -67.1196 -36.0922 1.45101 -36.0923 55.8472 13.3345 1.45101 13.3346 -11.8759 GPRESSAVG: 2258000 -66.3368 -34.3369 1.98075 -33.9389 55.7293 12.7576 2.36511 13.3012 -12.1429 TIMING: 2258000 CPU: 6741.28, 0.00294925/step Wall: 6741.28, 0.00294925/step, 2.24635 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2258000 727.5676 2057.1041 1949.4158 111.6512 -205720.6231 17731.9523 0.0000 0.0000 34365.5319 -148777.4001 300.1227 -183142.9321 -148675.8098 300.0923 -33.4556 -4.0773 557591.4173 -7.7161 -7.5835 PRESSURE: 2258200 184.016 74.7793 4.15061 74.7801 23.3178 107.3 4.15082 107.301 -83.8859 GPRESSURE: 2258200 164.199 41.5658 -13.3266 126.222 96.6702 94.8932 -99.0504 103.088 -40.7285 PRESSAVG: 2258200 3.73709 -22.6831 0.0940675 -22.6831 52.0282 33.2917 0.0940111 33.2917 -16.6522 GPRESSAVG: 2258200 3.67467 -23.8255 -0.671709 -24.4886 52.447 34.4364 -0.465306 32.9277 -16.2233 TIMING: 2258200 CPU: 6741.87, 0.00294802/step Wall: 6741.87, 0.00294802/step, 2.24524 hours remaining, 206.714844 MB of memory in use. ENERGY: 2258200 745.0576 2108.8711 1921.4650 105.7889 -205836.0351 17875.5600 0.0000 0.0000 34414.7962 -148664.4962 300.5530 -183079.2924 -148565.0935 300.1916 41.1493 73.3804 558868.4111 13.0377 13.2994 PRESSURE: 2258400 -121.81 -133.063 -24.4836 -133.063 68.2415 -112.108 -24.4839 -112.106 -90.9373 GPRESSURE: 2258400 -164.762 -111.163 25.967 -134.138 126.028 -107.435 -3.90097 -219.061 -11.5091 PRESSAVG: 2258400 11.2458 23.5315 23.4055 23.5315 42.1548 8.54106 23.4055 8.5411 -46.5497 GPRESSAVG: 2258400 12.3156 22.4418 23.0716 24.5787 39.2553 5.83106 25.3711 10.1545 -44.4998 TIMING: 2258400 CPU: 6742.46, 0.00294341/step Wall: 6742.46, 0.00294341/step, 2.24157 hours remaining, 206.714844 MB of memory in use. ENERGY: 2258400 712.1524 2042.5029 1934.2232 110.8557 -205838.0369 17702.8331 0.0000 0.0000 34472.9987 -148862.4710 301.0613 -183335.4696 -148765.2461 300.6337 -48.1688 -16.7477 558331.8686 2.2837 2.3570 PRESSURE: 2258600 -284.402 53.2778 -208.985 53.2768 94.5962 -126.251 -208.985 -126.252 69.8874 GPRESSURE: 2258600 -235.889 49.7723 -300.417 -18.5601 174.046 -170.449 -145.088 -117.264 42.022 PRESSAVG: 2258600 -55.1128 -27.0709 5.64103 -27.0708 55.2448 38.3545 5.64111 38.3544 5.74788 GPRESSAVG: 2258600 -55.5648 -27.939 6.52775 -27.684 56.4003 40.423 3.01978 36.7569 4.74898 TIMING: 2258600 CPU: 6743.06, 0.00297855/step Wall: 6743.06, 0.00297855/step, 2.26816 hours remaining, 206.714844 MB of memory in use. ENERGY: 2258600 749.4312 2035.1962 1914.2221 118.8411 -205788.7020 17671.0625 0.0000 0.0000 34344.4153 -148955.5336 299.9383 -183299.9489 -148858.6287 299.6752 -39.9729 -6.6072 558621.8061 1.9600 1.8615 PRESSURE: 2258800 30.1183 47.7934 125.535 47.7924 118.519 -2.50868 125.535 -2.50748 8.25637 GPRESSURE: 2258800 51.3416 74.1884 233.322 37.6844 153.218 47.0032 32.9141 -6.04802 41.7927 PRESSAVG: 2258800 -31.7246 13.968 -9.68757 13.968 -9.5731 21.3242 -9.6875 21.3243 1.06094 GPRESSAVG: 2258800 -32.8354 17.611 -9.89044 12.5788 -8.45153 22.1775 -6.41821 20.7452 0.639943 TIMING: 2258800 CPU: 6743.65, 0.0029552/step Wall: 6743.65, 0.0029552/step, 2.25022 hours remaining, 206.714844 MB of memory in use. ENERGY: 2258800 714.2593 2044.8449 1953.1572 109.5639 -205816.8331 17729.8646 0.0000 0.0000 34351.1188 -148914.0244 299.9969 -183265.1432 -148817.5730 300.2525 52.2979 82.1175 558876.8860 -13.4123 -13.5490 PRESSURE: 2259000 -59.6711 159.715 21.8766 159.717 72.448 -29.9689 21.8749 -29.9697 -0.00440383 GPRESSURE: 2259000 -19.9554 150.25 41.4766 146.044 63.8434 -69.0491 -28.1117 31.4694 63.6021 PRESSAVG: 2259000 -9.68345 12.464 -20.7094 12.4639 43.1949 7.1047 -20.7094 7.1047 -21.0983 GPRESSAVG: 2259000 -8.60494 9.43123 -19.6457 12.9909 44.1424 6.07951 -21.9951 9.63652 -22.4862 TIMING: 2259000 CPU: 6744.24, 0.00294045/step Wall: 6744.24, 0.00294045/step, 2.23882 hours remaining, 206.714844 MB of memory in use. ENERGY: 2259000 741.2457 2104.6905 1904.6585 113.7074 -206024.9537 17824.5519 0.0000 0.0000 34446.5932 -148889.5066 300.8307 -183336.0997 -148796.5492 300.9874 4.2575 35.8300 558025.4599 4.1377 4.3504 PRESSURE: 2259200 115.502 34.1483 -128.296 34.1481 20.0304 8.8359 -128.295 8.83695 -14.4052 GPRESSURE: 2259200 94.9252 24.2663 -99.4833 -17.6787 71.9568 18.0584 -92.6286 -72.5252 38.3445 PRESSAVG: 2259200 -35.185 16.7049 -8.28384 16.7049 -8.99399 26.6271 -8.28378 26.6271 19.1834 GPRESSAVG: 2259200 -35.1686 16.5943 -10.2807 18.4908 -9.55694 27.1562 -8.69599 23.7061 19.2001 TIMING: 2259200 CPU: 6744.83, 0.002973/step Wall: 6744.83, 0.002973/step, 2.26344 hours remaining, 206.714844 MB of memory in use. ENERGY: 2259200 720.5251 2031.8066 1938.0648 115.8885 -205784.4544 17706.4461 0.0000 0.0000 34497.0470 -148774.6763 301.2713 -183271.7234 -148679.2748 299.9558 40.3759 68.4088 559030.4254 -8.3319 -8.5085 PRESSURE: 2259400 -75.0659 -42.3091 -112.354 -42.3071 -81.6321 127.869 -112.354 127.87 -187.161 GPRESSURE: 2259400 -97.2607 -81.9036 -116.988 -101.343 -20.7016 177.842 -132.883 121.112 -134.309 PRESSAVG: 2259400 2.58859 13.3532 0.234334 13.3533 -26.5757 -20.6412 0.234273 -20.6411 11.1329 GPRESSAVG: 2259400 1.96183 12.4877 0.375673 12.3525 -26.804 -22.6395 -0.850792 -19.775 11.9472 TIMING: 2259400 CPU: 6745.43, 0.00297847/step Wall: 6745.43, 0.00297847/step, 2.26744 hours remaining, 206.714844 MB of memory in use. ENERGY: 2259400 732.8642 2028.1350 1912.9348 110.6450 -205745.3611 17511.2113 0.0000 0.0000 34517.7605 -148931.8103 301.4522 -183449.5708 -148833.8606 300.5916 -114.6198 -84.0904 557971.6392 -4.2847 -4.2983 PRESSURE: 2259600 -148.977 -92.8651 -4.44449 -92.8652 9.25102 -139.242 -4.444 -139.242 57.784 GPRESSURE: 2259600 -116.378 -22.3787 20.3529 -101.037 30.7653 -65.9127 -8.35876 -206.975 106.329 PRESSAVG: 2259600 -3.40426 -59.8808 -60.024 -59.8808 -25.2788 43.0495 -60.024 43.0494 38.1669 GPRESSAVG: 2259600 -3.65464 -59.3545 -60.3976 -58.8815 -25.0485 44.6548 -59.2734 44.0866 38.2905 TIMING: 2259600 CPU: 6746.02, 0.00296797/step Wall: 6746.02, 0.00296797/step, 2.25928 hours remaining, 206.714844 MB of memory in use. ENERGY: 2259600 752.8093 2080.2060 1944.8193 123.0857 -206206.7928 17810.9276 0.0000 0.0000 34524.4024 -148970.5425 301.5102 -183494.9449 -148871.7865 300.8584 -27.3139 6.9053 557347.2273 3.1613 3.1958 PRESSURE: 2259800 13.1973 59.5845 -172.124 59.5843 -2.95565 208.593 -172.124 208.592 -62.7723 GPRESSURE: 2259800 65.4902 69.75 -161.293 86.6763 -12.9878 270.885 -183.682 224.371 -16.0512 PRESSAVG: 2259800 41.1104 -13.4789 -11.5988 -13.4789 -37.6007 -7.15618 -11.5989 -7.156 -19.406 GPRESSAVG: 2259800 41.7468 -11.7351 -13.1767 -13.0386 -38.7137 -8.67731 -11.5223 -6.17186 -19.5197 TIMING: 2259800 CPU: 6746.61, 0.00297682/step Wall: 6746.61, 0.00297682/step, 2.26585 hours remaining, 206.714844 MB of memory in use. ENERGY: 2259800 743.5305 2057.0737 1931.5696 123.8123 -205870.8947 17774.7148 0.0000 0.0000 34303.6654 -148936.5283 299.5824 -183240.1937 -148843.3633 300.5545 -17.5102 12.1504 556663.2601 -5.2988 -5.4956 PRESSURE: 2260000 181.308 94.5095 -44.7043 94.5098 -237.783 -81.9531 -44.7051 -81.9536 -13.6192 GPRESSURE: 2260000 201.873 98.8807 -90.2584 153.558 -221.975 -50.968 -19.2118 -164.56 52.1564 PRESSAVG: 2260000 13.1392 8.62216 -0.954345 8.62214 -19.9181 -36.3952 -0.954341 -36.3951 16.8145 GPRESSAVG: 2260000 12.3718 7.46062 0.414359 7.11106 -19.9795 -34.5882 -0.611023 -37.9241 17.3836 TIMING: 2260000 CPU: 6747.2, 0.00294389/step Wall: 6747.2, 0.00294389/step, 2.24063 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2260000 700.9082 2091.0364 1890.3086 104.4812 -205635.5308 17503.0680 0.0000 0.0000 34157.7522 -149187.9762 298.3081 -183345.7284 -149093.6889 300.1466 -23.3647 10.6847 558429.9711 3.3452 3.2587 PRESSURE: 2260200 -160.927 -35.3794 -85.2962 -35.3795 74.3931 100.138 -85.2959 100.137 151.968 GPRESSURE: 2260200 -127.44 15.2861 -147.045 19.8054 118.327 198.647 -73.12 90.5401 164.925 PRESSAVG: 2260200 -50.3752 7.44423 68.4185 7.44425 -11.2559 -6.17667 68.4185 -6.17658 78.4971 GPRESSAVG: 2260200 -49.7661 7.02634 67.6714 9.6741 -10.8763 -7.76726 69.4763 -3.19092 77.4419 TIMING: 2260200 CPU: 6747.79, 0.00292952/step Wall: 6747.79, 0.00292953/step, 2.22953 hours remaining, 206.714844 MB of memory in use. ENERGY: 2260200 710.2639 2084.1325 1900.4923 112.3540 -206316.0711 17909.7692 0.0000 0.0000 34199.6690 -149399.3902 298.6742 -183599.0593 -149302.2201 298.7537 21.8114 51.9374 555287.4945 5.6220 5.5998 LDB: ============= START OF LOAD BALANCING ============== 6751.33 LDB: ============== END OF LOAD BALANCING =============== 6751.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6751.33 LDB: ============= START OF LOAD BALANCING ============== 6751.63 LDB: Largest compute 4773 load 0.030776 is 26.0% of average load 0.118314 LDB: Average compute 0.001722 is 1.5% of average load 0.118314 LDB: TIME 6751.63 LOAD: AVG 0.118314 MAX 0.197036 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 6751.63 LOAD: AVG 0.118314 MAX 0.197036 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 6751.63 LOAD: AVG 0.118314 MAX 0.197036 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6751.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6751.63 PRESSURE: 2260400 131.013 36.6775 -65.0479 36.6774 -212.002 88.5613 -65.0475 88.5621 75.7342 GPRESSURE: 2260400 152.741 -1.81529 -59.7364 -2.94834 -180.498 85.9969 -39.4643 69.1081 119.737 PRESSAVG: 2260400 -70.3304 -27.519 -28.0246 -27.5191 -14.8976 26.253 -28.0246 26.253 10.5594 GPRESSAVG: 2260400 -69.8821 -27.2704 -26.8237 -29.033 -14.9221 27.1412 -28.9024 24.1492 10.5101 TIMING: 2260400 CPU: 6748.38, 0.00297254/step Wall: 6748.38, 0.00297254/step, 2.2621 hours remaining, 207.160156 MB of memory in use. ENERGY: 2260400 723.3595 2057.9690 1922.2588 112.9942 -206146.3575 17791.7168 0.0000 0.0000 34060.6909 -149477.3683 297.4605 -183538.0592 -149383.9630 298.9940 -1.7516 30.6601 557289.9786 -24.8896 -24.7647 PRESSURE: 2260600 -180.111 -123.564 30.137 -123.564 49.0235 -370.764 30.1353 -370.764 57.9441 GPRESSURE: 2260600 -145.547 -86.5263 29.1439 -143.089 86.1026 -364.412 -5.71883 -355.991 74.9915 PRESSAVG: 2260600 72.4022 -52.8863 -37.8999 -52.8863 -50.2818 -2.52966 -37.8999 -2.52968 -21.7554 GPRESSAVG: 2260600 70.6917 -51.685 -38.568 -54.3432 -49.1152 -1.16376 -37.6271 -1.79879 -20.9484 TIMING: 2260600 CPU: 6748.97, 0.00293231/step Wall: 6748.97, 0.00293231/step, 2.23132 hours remaining, 207.160156 MB of memory in use. ENERGY: 2260600 728.3667 2084.7907 1896.3930 105.0308 -206287.2842 17755.0924 0.0000 0.0000 34243.0830 -149474.5275 299.0534 -183717.6105 -149379.5809 298.8327 -24.3812 5.1823 556788.4375 0.1217 0.2094 PRESSURE: 2260800 -66.3684 -149.777 -186.272 -149.777 170.931 -39.9781 -186.27 -39.9767 -162.698 GPRESSURE: 2260800 -13.5086 -109.485 -144.403 -46.4775 162.454 74.9942 -166.857 -78.8146 -109.033 PRESSAVG: 2260800 -22.2362 12.8141 -69.9843 12.8141 -34.6957 -42.6787 -69.9842 -42.6787 34.8552 GPRESSAVG: 2260800 -21.4691 12.2666 -69.5202 15.004 -35.2713 -44.4955 -71.4216 -42.4129 35.1394 TIMING: 2260800 CPU: 6749.55, 0.0029232/step Wall: 6749.55, 0.0029232/step, 2.22423 hours remaining, 207.160156 MB of memory in use. ENERGY: 2260800 720.7951 2094.9421 1906.2165 95.1115 -206294.2991 17809.6166 0.0000 0.0000 34303.0527 -149364.5646 299.5771 -183667.6173 -149275.0369 298.6454 -19.3784 13.3043 557324.8183 -7.3589 -7.2003 PRESSURE: 2261000 -150.167 -49.5966 -33.732 -49.5962 -66.1562 -68.571 -33.7324 -68.5694 -156.535 GPRESSURE: 2261000 -152.254 -39.2843 -66.9551 -70.636 -32.2078 -16.6195 -31.1856 -7.26555 -104.88 PRESSAVG: 2261000 27.5904 -55.3938 -8.7451 -55.3937 -32.9509 -38.6162 -8.74514 -38.6161 18.6381 GPRESSAVG: 2261000 27.2269 -56.3296 -7.74379 -56.0361 -32.9843 -37.1157 -9.30799 -39.9561 18.9954 TIMING: 2261000 CPU: 6750.14, 0.00291375/step Wall: 6750.14, 0.00291375/step, 2.21688 hours remaining, 207.160156 MB of memory in use. ENERGY: 2261000 768.6609 2067.9686 1940.1754 108.6552 -206047.1461 17716.2176 0.0000 0.0000 34180.5414 -149264.9270 298.5072 -183445.4684 -149166.3537 299.1547 -124.2860 -96.4473 557413.9671 4.4259 4.4127 PRESSURE: 2261200 167.861 -13.0004 -73.1571 -13 77.9181 -85.0287 -73.1574 -85.0299 35.6737 GPRESSURE: 2261200 222.982 -21.5518 -31.8576 -99.3324 112.39 -41.6893 -110.367 -106.67 56.3051 PRESSAVG: 2261200 -9.10649 -72.205 -67.5667 -72.2051 31.6368 0.619346 -67.5667 0.619318 -19.8431 GPRESSAVG: 2261200 -7.65149 -72.9242 -64.8169 -72.0265 31.0255 1.3686 -66.4145 2.3158 -20.6716 TIMING: 2261200 CPU: 6750.73, 0.00294832/step Wall: 6750.73, 0.00294832/step, 2.24302 hours remaining, 207.160156 MB of memory in use. ENERGY: 2261200 775.5535 2120.7298 1928.0874 116.6078 -206156.4665 17811.6933 0.0000 0.0000 34034.0659 -149369.7289 297.2280 -183403.7947 -149272.7851 298.7798 93.8177 130.5591 556321.1269 0.8957 0.9008 PRESSURE: 2261400 166.266 61.4154 -102.761 61.4164 -26.5701 -123.51 -102.761 -123.51 -308.296 GPRESSURE: 2261400 164.954 10.4528 -131.459 118.076 -8.9868 -54.0335 -84.1684 -154.688 -226.752 PRESSAVG: 2261400 161.65 15.9258 11.0023 15.9259 -56.2089 -68.0419 11.0024 -68.0421 -71.2081 GPRESSAVG: 2261400 160.75 16.8371 8.81052 15.958 -55.4515 -71.6242 9.60182 -67.7932 -70.9372 TIMING: 2261400 CPU: 6751.32, 0.00294511/step Wall: 6751.32, 0.00294511/step, 2.24041 hours remaining, 207.160156 MB of memory in use. ENERGY: 2261400 765.4869 1996.2484 1948.5413 110.3670 -206401.1213 17825.5219 0.0000 0.0000 34488.5234 -149266.4325 301.1969 -183754.9558 -149162.4646 299.0555 -56.2002 -23.5948 556471.8586 11.4110 11.4539 PRESSURE: 2261600 192.769 -189.827 -6.8943 -189.827 109.793 -137.716 -6.89332 -137.717 -36.13 GPRESSURE: 2261600 217.339 -148.042 24.9325 -227.242 171.479 -193.121 16.6662 -36.7559 -42.1947 PRESSAVG: 2261600 83.4101 -49.0306 -51.0534 -49.0307 -47.2996 -44.083 -51.0533 -44.083 -56.1311 GPRESSAVG: 2261600 84.4575 -47.8489 -51.7853 -47.8042 -46.6724 -42.5834 -49.4235 -44.1026 -57.9291 TIMING: 2261600 CPU: 6751.91, 0.0029618/step Wall: 6751.91, 0.0029618/step, 2.25295 hours remaining, 207.160156 MB of memory in use. ENERGY: 2261600 756.7333 2151.3401 1905.4205 108.9194 -206695.1542 18124.9336 0.0000 0.0000 34436.1961 -149211.6111 300.7399 -183647.8073 -149120.6965 299.7334 88.8104 115.5411 556591.2180 -6.6735 -6.7147 PRESSURE: 2261800 -36.3581 -34.3789 -31.1223 -34.3783 -191.348 -31.6981 -31.1231 -31.6977 -81.0604 GPRESSURE: 2261800 -37.2806 -132.465 -51.1235 -8.70876 -163.796 -20.9832 10.2848 -78.9846 -15.061 PRESSAVG: 2261800 20.5967 0.463423 -3.98018 0.463513 -21.3809 8.30895 -3.98012 8.30881 20.1426 GPRESSAVG: 2261800 21.1764 0.439295 -5.99163 0.708824 -22.9429 8.95386 -3.59911 6.03179 20.517 TIMING: 2261800 CPU: 6752.5, 0.00297576/step Wall: 6752.5, 0.00297576/step, 2.2634 hours remaining, 207.160156 MB of memory in use. ENERGY: 2261800 781.6293 2068.1373 1928.7879 110.1801 -206332.9205 17671.3360 0.0000 0.0000 34290.9093 -149481.9406 299.4710 -183772.8498 -149384.3592 298.9744 -102.9223 -72.0460 557386.8406 6.4528 6.2502 PRESSURE: 2262000 97.4583 34.4641 -19.4036 34.4633 195.838 13.8132 -19.4032 13.8131 -0.570321 GPRESSURE: 2262000 172.888 23.5579 52.7768 -31.9571 203.57 42.5397 -56.6573 69.3656 7.31279 PRESSAVG: 2262000 -29.7262 -8.30631 5.42655 -8.30643 42.9787 -23.6235 5.42654 -23.6236 18.2968 GPRESSAVG: 2262000 -29.9503 -8.03592 6.32998 -9.73041 43.844 -23.7819 3.32767 -23.1241 18.1577 TIMING: 2262000 CPU: 6753.1, 0.00295677/step Wall: 6753.1, 0.00295677/step, 2.24879 hours remaining, 207.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2262000 702.5240 2094.3214 1945.4125 123.2105 -206465.9538 17900.4647 0.0000 0.0000 34421.1040 -149278.9166 300.6081 -183700.0206 -149182.7955 299.4140 97.5754 127.9235 557794.3009 10.5164 10.6838 PRESSURE: 2262200 226.561 31.0941 -36.2071 31.0954 -23.6192 -77.9466 -36.2072 -77.9457 221.962 GPRESSURE: 2262200 209.674 49.5063 -75.4271 58.0217 29.2489 -124.3 -66.7346 -12.0328 273.655 PRESSAVG: 2262200 1.90444 34.3599 -4.87856 34.3599 -39.4967 12.2439 -4.87861 12.2439 37.7056 GPRESSAVG: 2262200 0.422499 34.7171 -4.45681 36.5206 -38.8848 13.8383 -3.47159 13.4316 38.2509 TIMING: 2262200 CPU: 6753.69, 0.0029497/step Wall: 6753.69, 0.0029497/step, 2.24325 hours remaining, 207.160156 MB of memory in use. ENERGY: 2262200 713.5490 2043.9527 1907.3347 116.7703 -206379.4535 17897.8831 0.0000 0.0000 34273.1542 -149426.8094 299.3160 -183699.9636 -149326.0811 298.9070 141.6348 170.8594 557870.5845 0.0378 -0.0705 PRESSURE: 2262400 120.069 -140.554 63.1354 -140.554 35.778 -75.6583 63.1342 -75.658 60.2152 GPRESSURE: 2262400 157.708 -248.4 -36.9809 -151.588 71.8399 -62.4568 115.395 -39.601 63.8275 PRESSAVG: 2262400 -26.093 37.8281 -26.3807 37.828 -2.52264 -9.22346 -26.3806 -9.22346 40.7358 GPRESSAVG: 2262400 -23.4568 35.4852 -27.0142 37.0034 -3.23693 -8.41902 -25.3925 -11.7523 40.1929 TIMING: 2262400 CPU: 6754.28, 0.0029614/step Wall: 6754.28, 0.0029614/step, 2.25198 hours remaining, 207.160156 MB of memory in use. ENERGY: 2262400 705.4624 2114.7911 1928.3042 116.2803 -206157.1348 17731.6811 0.0000 0.0000 34167.4723 -149393.1433 298.3930 -183560.6156 -149299.6390 298.9938 72.0206 97.7918 555734.3668 4.0401 4.4997 PRESSURE: 2262600 44.3077 -124.219 -53.0623 -124.22 -347.398 91.3954 -53.0621 91.3956 -18.0078 GPRESSURE: 2262600 70.8284 -47.6908 -84.7644 -205.849 -318.695 19.3716 4.53771 104.963 8.66405 PRESSAVG: 2262600 -37.6701 19.9482 51.8113 19.9483 9.75819 -37.0598 51.8113 -37.0597 55.636 GPRESSAVG: 2262600 -37.7023 21.9656 52.1531 18.7125 10.2313 -40.0659 51.1745 -32.7905 55.3756 TIMING: 2262600 CPU: 6754.87, 0.00295637/step Wall: 6754.87, 0.00295637/step, 2.24799 hours remaining, 207.160156 MB of memory in use. ENERGY: 2262600 724.3094 2155.9147 1946.0327 120.3023 -206101.9141 17693.5560 0.0000 0.0000 34038.1792 -149423.6198 297.2639 -183461.7991 -149323.4167 298.8023 -107.0326 -79.7341 556700.3344 9.2414 9.3015 PRESSURE: 2262800 -83.1304 -264.495 -7.65494 -264.495 -250.703 -35.0218 -7.65457 -35.022 -51.6996 GPRESSURE: 2262800 -61.0714 -293.069 16.4972 -232.446 -161.285 -52.7683 -33.8597 23.0935 -64.331 PRESSAVG: 2262800 7.85857 -3.10709 29.3586 -3.10712 -23.8286 -28.2808 29.3586 -28.2807 22.3442 GPRESSAVG: 2262800 7.4186 -1.33005 28.4563 -3.23477 -23.3656 -27.8127 29.4125 -29.4804 22.8086 TIMING: 2262800 CPU: 6755.46, 0.00293585/step Wall: 6755.46, 0.00293585/step, 2.23222 hours remaining, 207.160156 MB of memory in use. ENERGY: 2262800 734.0377 2120.0166 1918.0837 105.1407 -206005.0724 17555.1707 0.0000 0.0000 34081.7300 -149490.8930 297.6442 -183572.6230 -149398.1909 298.1695 -128.5110 -95.5624 558495.0462 2.1247 2.2872 PRESSURE: 2263000 -71.4777 55.753 -25.6175 55.7522 -63.2875 -16.1849 -25.6173 -16.1845 -373.277 GPRESSURE: 2263000 -65.6033 -10.4575 6.96683 64.1593 -44.7162 -55.2511 -78.6316 -20.5447 -293.395 PRESSAVG: 2263000 80.8681 -17.5895 -40.1378 -17.5895 9.86282 -70.7263 -40.1378 -70.7262 -68.5076 GPRESSAVG: 2263000 80.0477 -20.2074 -39.8076 -17.1306 9.43446 -71.7116 -40.7823 -71.6758 -66.9166 TIMING: 2263000 CPU: 6756.04, 0.00293443/step Wall: 6756.04, 0.00293443/step, 2.23098 hours remaining, 207.160156 MB of memory in use. ENERGY: 2263000 748.6053 2085.7681 1886.2938 112.9544 -206270.7458 17644.3197 0.0000 0.0000 34165.7553 -149627.0492 298.3780 -183792.8045 -149528.4007 297.7560 -169.3475 -134.5716 559043.7508 7.4078 7.5218 PRESSURE: 2263200 -93.8329 21.7888 26.4226 21.7891 -80.6525 2.35771 26.4223 2.35823 -217.387 GPRESSURE: 2263200 -38.9322 -31.0338 -49.3328 98.1644 -28.001 29.6133 75.4399 20.9093 -239.249 PRESSAVG: 2263200 24.0131 -15.6195 -22.3364 -15.6196 70.3705 5.92019 -22.3365 5.92016 -97.9745 GPRESSAVG: 2263200 24.1006 -15.6273 -23.5404 -14.6118 71.014 7.08419 -22.0076 7.17767 -98.7237 TIMING: 2263200 CPU: 6756.63, 0.0029484/step Wall: 6756.63, 0.0029484/step, 2.24144 hours remaining, 207.160156 MB of memory in use. ENERGY: 2263200 702.6696 2117.5643 1892.4986 115.8685 -206346.6420 17690.1134 0.0000 0.0000 34287.9258 -149540.0018 299.4450 -183827.9276 -149436.2791 298.0975 -130.6240 -102.0609 558098.8202 -1.1970 -1.2030 PRESSURE: 2263400 -117.187 81.6429 -100.135 81.6428 -199.885 57.5663 -100.135 57.5654 -280.032 GPRESSURE: 2263400 -103.784 44.6618 -79.2429 29.1275 -136.406 80.0298 -157.512 68.6123 -245.503 PRESSAVG: 2263400 1.03453 14.6218 -50.6848 14.6219 7.99003 -0.666527 -50.6848 -0.666431 -51.5161 GPRESSAVG: 2263400 0.338248 14.2181 -50.5094 15.3086 8.08985 0.362028 -51.5565 -2.9313 -50.9656 TIMING: 2263400 CPU: 6757.22, 0.00295844/step Wall: 6757.22, 0.00295844/step, 2.2489 hours remaining, 207.160156 MB of memory in use. ENERGY: 2263400 725.2877 2002.7693 1896.1337 112.3912 -206233.9673 17623.0202 0.0000 0.0000 34247.5045 -149626.8608 299.0920 -183874.3653 -149525.2402 298.0416 -199.0347 -161.8975 557035.4087 -14.1639 -14.1792 PRESSURE: 2263600 135.828 44.8134 -100.656 44.8138 -138.345 101.696 -100.656 101.697 79.4073 GPRESSURE: 2263600 133.258 91.9461 -76.4926 53.0145 -23.2913 8.63255 -67.5693 117.575 70.0774 PRESSAVG: 2263600 19.9282 9.02338 5.33569 9.02342 -12.0146 -45.72 5.33568 -45.72 14.7854 GPRESSAVG: 2263600 20.0062 10.4852 5.38644 9.94855 -11.2158 -47.6531 6.7789 -45.003 14.3104 TIMING: 2263600 CPU: 6757.81, 0.00292216/step Wall: 6757.81, 0.00292216/step, 2.22117 hours remaining, 207.160156 MB of memory in use. ENERGY: 2263600 736.5508 2112.0568 1911.9203 118.6956 -206038.1984 17606.8860 0.0000 0.0000 34052.9975 -149499.0913 297.3933 -183552.0888 -149406.5054 298.6533 25.6301 60.0149 556991.8223 7.5663 7.7003 PRESSURE: 2263800 21.7112 -75.1226 -93.0643 -75.1222 27.0008 -55.0311 -93.0647 -55.0302 -230.749 GPRESSURE: 2263800 14.4187 -57.9 11.6383 -147.166 54.0542 -76.2564 -125.201 -72.2291 -156.988 PRESSAVG: 2263800 84.8262 29.323 -6.2135 29.3231 -32.3609 -35.5044 -6.21357 -35.5043 -23.4366 GPRESSAVG: 2263800 85.4009 30.65 -3.3222 25.2745 -32.2887 -34.6262 -8.22981 -36.3974 -23.6412 TIMING: 2263800 CPU: 6758.39, 0.00291944/step Wall: 6758.39, 0.00291944/step, 2.21893 hours remaining, 207.160156 MB of memory in use. ENERGY: 2263800 737.8254 2032.8063 1931.3932 108.7632 -206279.4345 17795.5341 0.0000 0.0000 34157.2566 -149515.8557 298.3038 -183673.1123 -149419.5087 298.7704 -60.6791 -29.5050 557672.2371 9.6762 9.8237 PRESSURE: 2264000 135.049 -84.2682 133.24 -84.268 139.893 -271.839 133.241 -271.841 -17.8632 GPRESSURE: 2264000 129.458 -121.799 64.4361 -93.8827 182.422 -409.922 118.908 -132.035 42.1533 PRESSAVG: 2264000 -32.8119 -8.24672 27.9827 -8.24675 15.4503 -95.0726 27.9827 -95.0725 2.31921 GPRESSAVG: 2264000 -32.0474 -9.51388 25.8282 -6.65884 13.9692 -95.2456 29.2963 -95.1051 3.20374 TIMING: 2264000 CPU: 6758.98, 0.00292292/step Wall: 6758.98, 0.00292292/step, 2.22142 hours remaining, 207.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2264000 753.7068 2094.2647 1923.7402 114.6849 -206320.0856 17889.2360 0.0000 0.0000 34190.0135 -149354.4395 298.5899 -183544.4530 -149262.4065 298.9521 85.6928 118.0109 554398.3198 -5.0141 -4.9581 PRESSURE: 2264200 -101.183 -55.7363 -31.7943 -55.7361 -142.254 -20.3794 -31.7948 -20.3788 -224.243 GPRESSURE: 2264200 -59.6309 -49.9883 20.5844 -81.7461 -103.702 -53.5672 3.75269 7.20088 -207.31 PRESSAVG: 2264200 -32.1508 -44.5714 -51.1129 -44.5713 23.3209 -21.861 -51.1128 -21.8611 9.47917 GPRESSAVG: 2264200 -32.9734 -45.4376 -50.9191 -43.6259 25.6688 -19.6389 -49.595 -21.5766 7.88457 TIMING: 2264200 CPU: 6759.57, 0.00294478/step Wall: 6759.57, 0.00294478/step, 2.23787 hours remaining, 207.160156 MB of memory in use. ENERGY: 2264200 727.3447 2063.4722 1922.8254 106.9740 -206325.0984 17716.1490 0.0000 0.0000 34293.9046 -149494.4284 299.4972 -183788.3330 -149403.4959 298.7085 -155.8934 -123.5477 556878.8549 0.2164 0.1933 LDB: ============= START OF LOAD BALANCING ============== 6763.11 LDB: ============== END OF LOAD BALANCING =============== 6763.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6763.11 LDB: ============= START OF LOAD BALANCING ============== 6763.41 LDB: Largest compute 4773 load 0.030680 is 25.9% of average load 0.118296 LDB: Average compute 0.001722 is 1.5% of average load 0.118296 LDB: TIME 6763.41 LOAD: AVG 0.118296 MAX 0.201849 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 6763.42 LOAD: AVG 0.118296 MAX 0.201849 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.648 MB LDB: TIME 6763.42 LOAD: AVG 0.118296 MAX 0.201849 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.648 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6763.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6763.42 PRESSURE: 2264400 124.322 -73.5531 89.4309 -73.5532 1.22664 30.5751 89.4306 30.5759 -143.097 GPRESSURE: 2264400 149.947 25.8063 -62.2603 -112.62 54.8755 25.4598 180.691 85.2113 -122.049 PRESSAVG: 2264400 32.4486 -100.404 40.1233 -100.404 -3.00311 -4.74973 40.1233 -4.74971 -73.423 GPRESSAVG: 2264400 32.9261 -100.647 41.2841 -101.165 -3.91522 -6.29352 36.5881 -6.75852 -73.0722 TIMING: 2264400 CPU: 6760.17, 0.00302813/step Wall: 6760.17, 0.00302814/step, 2.30105 hours remaining, 206.714844 MB of memory in use. ENERGY: 2264400 726.1938 2105.4998 1928.5906 125.5201 -206484.5728 17772.4136 0.0000 0.0000 34407.6829 -149418.6718 300.4909 -183826.3548 -149318.5002 298.9272 -5.8495 27.5911 556523.0904 -14.6592 -14.6871 PRESSURE: 2264600 -80.4586 -132.729 118.945 -132.729 -106.134 46.3519 118.945 46.3525 -72.5323 GPRESSURE: 2264600 -49.9602 -151.963 103.845 -107.947 -97.8534 20.748 102.862 108.927 -21.9957 PRESSAVG: 2264600 14.6229 0.836642 68.4236 0.836689 31.8406 -30.0882 68.4236 -30.0882 -23.0506 GPRESSAVG: 2264600 15.3189 0.77667 66.7286 0.100129 31.5951 -30.5548 71.5844 -26.5705 -23.5019 TIMING: 2264600 CPU: 6760.76, 0.00295958/step Wall: 6760.76, 0.00295958/step, 2.24879 hours remaining, 206.714844 MB of memory in use. ENERGY: 2264600 769.2561 2070.1939 1957.2433 118.3923 -206158.1748 17798.9471 0.0000 0.0000 34206.0052 -149238.1368 298.7296 -183444.1421 -149137.5587 299.3427 -86.3748 -56.6031 557930.0880 7.8043 7.8040 PRESSURE: 2264800 42.6759 43.7764 -73.7059 43.7761 -20.5271 -123.548 -73.7072 -123.548 -206.377 GPRESSURE: 2264800 42.9708 -0.400451 -88.759 -11.3687 -1.66948 -128.12 -15.5748 -57.1876 -124.799 PRESSAVG: 2264800 -58.8578 -33.1871 -10.8436 -33.1871 46.0978 -14.7599 -10.8436 -14.7601 -8.93213 GPRESSAVG: 2264800 -59.7905 -32.3312 -10.8299 -35.0707 46.506 -15.2753 -13.3913 -15.1325 -7.75387 TIMING: 2264800 CPU: 6761.35, 0.0029498/step Wall: 6761.35, 0.0029498/step, 2.2412 hours remaining, 206.714844 MB of memory in use. ENERGY: 2264800 771.5027 2091.5563 1924.1949 108.4205 -206205.2207 17830.1341 0.0000 0.0000 34211.2205 -149268.1917 298.7751 -183479.4122 -149168.9617 299.7135 -61.4095 -27.8325 558319.3000 -7.2307 -7.0128 PRESSURE: 2265000 -366.07 109.596 -19.6218 109.595 -209.076 -160.626 -19.6214 -160.627 -203.052 GPRESSURE: 2265000 -295.041 142.143 35.5211 50.0328 -174.209 -134.391 16.6041 -161.411 -207.559 PRESSAVG: 2265000 -28.9949 -21.9018 21.9104 -21.9018 38.5527 -31.0449 21.9104 -31.0449 7.54412 GPRESSAVG: 2265000 -29.4979 -24.0537 23.0268 -20.9934 38.8204 -29.6504 22.2119 -31.0195 7.0065 TIMING: 2265000 CPU: 6761.94, 0.00294036/step Wall: 6761.94, 0.00294036/step, 2.23385 hours remaining, 206.714844 MB of memory in use. ENERGY: 2265000 752.0025 2147.9125 1914.1183 107.8183 -205948.3988 17550.2761 0.0000 0.0000 34424.1678 -149052.1033 300.6348 -183476.2711 -148957.5608 299.6324 -259.3994 -225.6031 559168.6001 5.7006 5.4430 PRESSURE: 2265200 -60.0551 31.1862 -178.184 31.186 -171.835 -5.09148 -178.185 -5.09045 -475.12 GPRESSURE: 2265200 -102.487 11.9569 -166.661 13.9555 -127.063 2.2616 -173.977 21.4204 -378.544 PRESSAVG: 2265200 -0.541667 -11.0313 22.9903 -11.0313 18.1269 -38.6928 22.9901 -38.6927 -14.1965 GPRESSAVG: 2265200 0.0227544 -9.94656 23.4192 -10.4512 18.5545 -38.4274 23.3726 -39.2859 -15.0813 TIMING: 2265200 CPU: 6762.53, 0.00295117/step Wall: 6762.53, 0.00295117/step, 2.2419 hours remaining, 206.714844 MB of memory in use. ENERGY: 2265200 825.7960 2118.9519 1945.7139 110.6938 -205852.2306 17567.9623 0.0000 0.0000 34258.2783 -149024.8344 299.1861 -183283.1127 -148925.9398 300.0742 -235.6699 -202.6981 557395.2386 1.1296 1.1653 PRESSURE: 2265400 179.346 12.2865 -3.95443 12.286 -84.0176 -70.3493 -3.95506 -70.3489 -76.1871 GPRESSURE: 2265400 190.5 -3.65141 16.7674 11.1447 -40.2926 -49.5665 14.0263 -50.05 -43.7803 PRESSAVG: 2265400 5.19345 -23.6108 4.67662 -23.6108 -51.9538 -44.2536 4.67665 -44.2537 20.8759 GPRESSAVG: 2265400 4.73003 -21.8331 5.46214 -23.3553 -53.1071 -44.6823 5.55612 -43.8408 21.9296 TIMING: 2265400 CPU: 6763.12, 0.00294396/step Wall: 6763.12, 0.00294396/step, 2.23627 hours remaining, 206.714844 MB of memory in use. ENERGY: 2265400 763.1183 2056.2096 1911.2880 106.3412 -206275.2268 18018.2654 0.0000 0.0000 34187.1044 -149232.8999 298.5645 -183420.0043 -149131.0558 299.7588 6.3806 35.4758 558536.2683 -8.6281 -8.8158 PRESSURE: 2265600 -181.433 192.277 36.3017 192.278 39.8525 88.329 36.3002 88.3296 -125.828 GPRESSURE: 2265600 -149.581 194.709 31.0375 191.616 89.4389 43.0515 56.9937 37.2782 -103.774 PRESSAVG: 2265600 -25.2894 33.4222 -25.9334 33.4222 -4.9766 -47.076 -25.9333 -47.0758 20.1902 GPRESSAVG: 2265600 -23.5995 34.5061 -27.5434 32.9568 -6.14491 -48.3482 -27.0118 -48.0517 20.0908 TIMING: 2265600 CPU: 6763.71, 0.00293383/step Wall: 6763.71, 0.00293383/step, 2.22841 hours remaining, 206.714844 MB of memory in use. ENERGY: 2265600 697.3504 2119.1549 1912.2913 101.5949 -205899.8429 17654.5210 0.0000 0.0000 34266.9561 -149147.9743 299.2619 -183414.9304 -149054.5424 299.5290 -89.1362 -54.6386 557749.1570 -3.3586 -3.2179 PRESSURE: 2265800 -226.748 -83.9413 -15.931 -83.9416 -30.7002 -135.738 -15.9307 -135.737 -236.671 GPRESSURE: 2265800 -175.201 -99.4289 -28.6474 -64.57 -66.5046 -142.031 -24.1677 -48.4519 -167.352 PRESSAVG: 2265800 -18.1877 -45.4014 16.5512 -45.4015 -11.3994 -11.5148 16.5512 -11.5148 22.5299 GPRESSAVG: 2265800 -19.2223 -45.9519 17.9197 -45.1826 -9.58385 -12.4823 16.2537 -9.69022 21.9479 TIMING: 2265800 CPU: 6764.29, 0.00292991/step Wall: 6764.29, 0.00292991/step, 2.22527 hours remaining, 206.714844 MB of memory in use. ENERGY: 2265800 746.5286 2061.1458 1905.0468 99.9024 -205772.9868 17646.9128 0.0000 0.0000 34165.2463 -149148.2040 298.3736 -183313.4503 -149048.3009 299.3650 -164.7064 -136.3526 558198.2611 -2.3524 -2.2861 PRESSURE: 2266000 123.787 79.5623 138.619 79.5612 -212.324 107.835 138.62 107.836 104.718 GPRESSURE: 2266000 129.608 84.2782 177.23 83.8949 -154.948 47.124 81.8513 134.314 132.827 PRESSAVG: 2266000 6.58835 3.61672 -26.8565 3.6168 -52.9741 -40.0751 -26.8565 -40.0751 37.5759 GPRESSAVG: 2266000 7.35947 0.967793 -26.9113 3.94339 -52.7821 -39.6223 -25.6461 -41.5694 36.8008 TIMING: 2266000 CPU: 6764.88, 0.00293362/step Wall: 6764.88, 0.00293362/step, 2.22792 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2266000 707.1364 2043.5999 1952.3966 107.8828 -206238.8495 17891.5565 0.0000 0.0000 34291.5406 -149244.7366 299.4766 -183536.2772 -149149.1260 299.5287 5.3938 35.8290 556813.1990 -2.9366 -2.8739 PRESSURE: 2266200 -64.2911 -52.9663 115.404 -52.9668 -94.5896 73.0765 115.404 73.077 200.462 GPRESSURE: 2266200 -19.8738 -109.895 156.599 -28.6319 -112.188 78.823 126.541 98.4053 258.035 PRESSAVG: 2266200 9.54787 19.2501 -21.9556 19.2502 -98.0566 59.6096 -21.9555 59.6096 115.096 GPRESSAVG: 2266200 8.71196 22.1506 -23.8278 18.8853 -98.8264 60.3998 -20.3353 59.5978 116.468 TIMING: 2266200 CPU: 6765.47, 0.00293925/step Wall: 6765.47, 0.00293925/step, 2.23204 hours remaining, 206.714844 MB of memory in use. ENERGY: 2266200 738.6958 2048.7400 1925.8078 110.9719 -206642.8025 18002.8482 0.0000 0.0000 34440.0427 -149375.6961 300.7735 -183815.7388 -149271.6620 298.8303 13.8604 41.9912 558285.3939 8.8623 8.7846 PRESSURE: 2266400 151.444 -195.569 -135.954 -195.57 49.2793 49.5114 -135.955 49.5127 100.387 GPRESSURE: 2266400 193.384 -185.619 -163.705 -166.983 96.3878 -19.459 -102.003 53.7434 97.9784 PRESSAVG: 2266400 -44.2963 4.65903 -10.907 4.65898 73.107 -20.0917 -10.907 -20.0917 74.5526 GPRESSAVG: 2266400 -43.9176 3.09229 -9.46681 5.50946 72.0684 -19.8959 -12.8819 -20.2419 74.6531 TIMING: 2266400 CPU: 6766.06, 0.00294367/step Wall: 6766.06, 0.00294367/step, 2.23523 hours remaining, 206.714844 MB of memory in use. ENERGY: 2266400 735.1852 2095.7343 1938.5232 117.2120 -206456.4237 17903.0347 0.0000 0.0000 34364.2016 -149302.5327 300.1111 -183666.7343 -149209.1919 298.8560 100.3701 129.2501 555859.7460 34.4544 34.2680 PRESSURE: 2266600 115.569 -83.7126 -182.868 -83.7133 -143.602 78.3189 -182.866 78.3192 121.122 GPRESSURE: 2266600 169.887 -142.135 -120.18 9.02078 -118.003 118.67 -139.21 21.0072 143.911 PRESSAVG: 2266600 -46.1338 0.298236 10.9814 0.298227 -5.30447 11.8282 10.9813 11.8284 12.5241 GPRESSAVG: 2266600 -45.7226 -1.17468 9.37232 3.3023 -4.26898 12.7311 12.385 10.4735 11.0064 TIMING: 2266600 CPU: 6766.65, 0.00294654/step Wall: 6766.65, 0.00294654/step, 2.23724 hours remaining, 206.714844 MB of memory in use. ENERGY: 2266600 697.2596 2100.4105 1934.7342 105.7416 -206382.6600 17892.9082 0.0000 0.0000 34329.4956 -149322.1103 299.8080 -183651.6059 -149223.9082 299.0946 31.0300 65.2648 556450.8351 -12.9714 -12.9951 PRESSURE: 2266800 40.4993 -6.70252 -88.2627 -6.70062 335.423 131.895 -88.2639 131.897 -10.293 GPRESSURE: 2266800 84.788 -14.6261 -34.4541 -54.5853 344.448 93.8137 -87.7442 128.779 36.5814 PRESSAVG: 2266800 15.762 0.254562 -2.77646 0.254513 58.5734 -4.54659 -2.77644 -4.54661 9.27028 GPRESSAVG: 2266800 15.6176 1.70597 -2.63979 -3.25784 58.4834 -5.96882 -3.36446 -2.98843 10.0837 TIMING: 2266800 CPU: 6767.23, 0.00294034/step Wall: 6767.23, 0.00294034/step, 2.23237 hours remaining, 206.714844 MB of memory in use. ENERGY: 2266800 724.0118 2074.6699 1931.7552 126.2847 -206832.6613 18047.6904 0.0000 0.0000 34341.7117 -149586.5377 299.9147 -183928.2494 -149493.7765 298.5065 121.8765 155.2725 555373.5087 27.8686 28.0616 PRESSURE: 2267000 56.3991 44.1403 193.735 44.1391 99.0065 62.2856 193.735 62.2858 -45.1136 GPRESSURE: 2267000 58.253 5.72611 126.331 86.6245 140.278 73.6527 227.264 59.8891 0.780103 PRESSAVG: 2267000 -60.7151 -37.7684 -9.08521 -37.7683 -10.2061 -11.7351 -9.08521 -11.7351 70.8999 GPRESSAVG: 2267000 -60.922 -36.3358 -8.6608 -36.7554 -9.42481 -10.9944 -9.29156 -12.1529 70.2876 TIMING: 2267000 CPU: 6767.82, 0.00294348/step Wall: 6767.82, 0.00294348/step, 2.23459 hours remaining, 206.714844 MB of memory in use. ENERGY: 2267000 730.5909 2122.5918 1945.3167 116.0943 -206395.5753 17818.3519 0.0000 0.0000 34234.0138 -149428.6159 298.9742 -183662.6297 -149336.5835 298.6586 36.7640 66.4370 555448.9194 -0.0071 -0.0197 PRESSURE: 2267200 -87.251 -45.3526 51.9074 -45.3515 82.5611 214.579 51.9083 214.577 -215.559 GPRESSURE: 2267200 -55.4783 -76.5935 69.4781 -43.5825 60.3455 298.35 90.8718 167.624 -124.553 PRESSAVG: 2267200 78.2131 15.2992 -44.7446 15.2993 11.3561 -54.1775 -44.7447 -54.1775 -56.4391 GPRESSAVG: 2267200 78.5406 14.9656 -45.6059 14.7197 10.1532 -53.1736 -44.3728 -54.4577 -55.6216 TIMING: 2267200 CPU: 6768.42, 0.00298499/step Wall: 6768.42, 0.00298499/step, 2.26594 hours remaining, 206.714844 MB of memory in use. ENERGY: 2267200 722.4651 2043.5332 1923.1924 109.0233 -206286.9674 17729.4026 0.0000 0.0000 34439.4716 -149319.8791 300.7685 -183759.3507 -149219.4096 298.3302 -73.4164 -39.8952 556920.8348 11.0434 11.0241 PRESSURE: 2267400 -95.3715 8.67154 121.868 8.6714 14.1566 -34.4681 121.867 -34.4667 70.9912 GPRESSURE: 2267400 -58.5977 59.1207 66.6044 -14.8228 0.15896 -88.9863 63.2189 28.7011 141.736 PRESSAVG: 2267400 -23.1821 -21.4352 -11.3102 -21.4354 34.7104 8.07663 -11.3102 8.07659 -16.102 GPRESSAVG: 2267400 -23.6227 -23.5367 -10.8685 -20.3866 35.8989 7.38122 -11.9608 10.0467 -16.7406 TIMING: 2267400 CPU: 6769.02, 0.00297904/step Wall: 6769.02, 0.00297904/step, 2.26125 hours remaining, 206.714844 MB of memory in use. ENERGY: 2267400 749.4406 2061.4105 1916.5707 117.5504 -206158.9093 17705.2285 0.0000 0.0000 34359.0849 -149249.6236 300.0664 -183608.7085 -149152.8983 298.7847 -3.4079 27.7657 556268.1400 -1.5246 -1.4881 PRESSURE: 2267600 -10.8432 -50.3625 35.9805 -50.363 -260.072 -136.781 35.9804 -136.781 -162.755 GPRESSURE: 2267600 -16.6429 -121.225 74.8473 -37.4902 -201.832 -117.217 26.8247 -107.074 -118.882 PRESSAVG: 2267600 44.8566 -51.6027 20.745 -51.6028 -41.4462 -29.8653 20.7451 -29.8653 7.4606 GPRESSAVG: 2267600 45.0214 -50.83 21.0813 -52.3296 -42.5063 -31.0135 20.5622 -31.3551 8.1969 TIMING: 2267600 CPU: 6769.6, 0.00293425/step Wall: 6769.6, 0.00293425/step, 2.22709 hours remaining, 206.714844 MB of memory in use. ENERGY: 2267600 759.5917 2091.5883 1900.9245 116.4982 -206278.7469 17732.7601 0.0000 0.0000 34293.4433 -149383.9409 299.4932 -183677.3843 -149286.8401 299.6137 -144.5570 -112.4520 557829.5714 3.6237 3.5707 PRESSURE: 2267800 -289.931 102.528 2.68056 102.527 272.574 -191.629 2.68131 -191.627 41.3856 GPRESSURE: 2267800 -262.959 67.1585 -99.3822 117.734 238.555 -132.513 -24.8533 -178.692 134.491 PRESSAVG: 2267800 -56.8484 -6.16342 -34.0686 -6.1634 56.6896 -8.26921 -34.0685 -8.26924 19.561 GPRESSAVG: 2267800 -57.0067 -4.57997 -34.3964 -7.09808 56.93 -7.3515 -34.069 -8.57476 19.4242 TIMING: 2267800 CPU: 6770.19, 0.00294655/step Wall: 6770.19, 0.00294655/step, 2.23627 hours remaining, 206.714844 MB of memory in use. ENERGY: 2267800 719.8433 2062.5754 1930.3230 113.2692 -206351.7601 17911.1399 0.0000 0.0000 34237.9591 -149376.6503 299.0086 -183614.6094 -149273.0672 299.1158 8.0097 36.6958 557155.8040 6.4674 6.4491 PRESSURE: 2268000 -160.054 29.2888 32.6841 29.2886 8.72819 -24.472 32.6838 -24.4724 41.5245 GPRESSURE: 2268000 -110.614 76.6195 49.2345 16.5345 -32.7715 -29.5102 94.1585 -92.1822 124.853 PRESSAVG: 2268000 23.453 3.52409 6.57229 3.52398 -48.764 22.1068 6.57219 22.1068 51.0216 GPRESSAVG: 2268000 23.4646 0.898668 6.44752 6.43887 -50.1569 23.3759 7.17178 22.8932 51.7668 TIMING: 2268000 CPU: 6770.78, 0.00295726/step Wall: 6770.78, 0.00295726/step, 2.24423 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2268000 685.1070 2076.2556 1880.4007 112.5505 -205825.6520 17560.7869 0.0000 0.0000 34197.9154 -149312.6359 298.6589 -183510.5513 -149208.8572 299.3810 -36.6004 -6.1776 556919.3538 8.5702 8.3581 PRESSURE: 2268200 -23.2725 25.5908 93.1278 25.5898 -151.053 40.5053 93.1276 40.5043 -212.984 GPRESSURE: 2268200 35.5942 16.1936 37.1077 -27.8834 -82.3685 -20.659 77.6948 55.5868 -236.118 PRESSAVG: 2268200 18.162 -10.3549 16.2555 -10.3549 14.0635 -3.76422 16.2555 -3.76427 -28.0942 GPRESSAVG: 2268200 17.6093 -9.93448 17.684 -12.6433 14.5855 -5.89328 13.8017 -4.35094 -27.9121 TIMING: 2268200 CPU: 6771.38, 0.00296044/step Wall: 6771.38, 0.00296044/step, 2.24648 hours remaining, 206.714844 MB of memory in use. ENERGY: 2268200 727.4984 2119.7068 1899.4689 112.9629 -205643.7469 17487.3946 0.0000 0.0000 34145.6819 -149151.0335 298.2027 -183296.7154 -149054.6550 299.2226 -129.1033 -94.2974 557827.0206 1.3771 1.4276 LDB: ============= START OF LOAD BALANCING ============== 6774.92 LDB: ============== END OF LOAD BALANCING =============== 6774.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6774.93 LDB: ============= START OF LOAD BALANCING ============== 6775.22 LDB: Largest compute 4773 load 0.033430 is 28.3% of average load 0.118287 LDB: Average compute 0.001723 is 1.5% of average load 0.118287 LDB: TIME 6775.22 LOAD: AVG 0.118287 MAX 0.199049 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 6775.22 LOAD: AVG 0.118287 MAX 0.199049 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 6775.22 LOAD: AVG 0.118287 MAX 0.199049 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6775.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6775.23 PRESSURE: 2268400 207.871 209.841 126.154 209.84 49.6749 -129.444 126.155 -129.444 198.625 GPRESSURE: 2268400 206.083 329.494 127.347 34.4981 107.187 -121.235 134.301 -156.311 236.722 PRESSAVG: 2268400 21.9364 34.3489 44.6771 34.3489 22.3941 50.9782 44.6771 50.9783 -61.6155 GPRESSAVG: 2268400 21.5318 35.746 41.9882 33.2278 23.9362 51.6744 48.5872 51.8382 -62.141 TIMING: 2268400 CPU: 6771.98, 0.00301937/step Wall: 6771.98, 0.00301937/step, 2.29103 hours remaining, 206.714844 MB of memory in use. ENERGY: 2268400 734.2159 2064.5729 1888.9259 110.9776 -206310.6767 17958.4337 0.0000 0.0000 34451.4262 -149102.1245 300.8729 -183553.5507 -149004.3520 299.7232 152.0569 183.3307 556324.4024 -5.7617 -5.5577 PRESSURE: 2268600 -107.083 -106.975 -12.0036 -106.975 447.211 58.0736 -12.0049 58.0738 -170.349 GPRESSURE: 2268600 -79.3665 -114.252 -45.4759 -90.6462 440.371 37.1216 10.5502 96.7647 -94.257 PRESSAVG: 2268600 63.4903 -11.3181 35.7836 -11.3181 -4.26504 24.2904 35.7837 24.2904 -80.1037 GPRESSAVG: 2268600 64.2623 -11.6112 37.5781 -9.86136 -6.45562 23.1134 33.9988 26.3902 -78.7214 TIMING: 2268600 CPU: 6772.57, 0.00295793/step Wall: 6772.57, 0.00295793/step, 2.24425 hours remaining, 206.714844 MB of memory in use. ENERGY: 2268600 744.0985 2085.1713 1936.0834 117.9045 -206108.4433 17767.0457 0.0000 0.0000 34489.6513 -148968.4886 301.2067 -183458.1398 -148881.2352 299.8403 56.5929 88.9157 556563.4968 -6.9595 -6.9716 PRESSURE: 2268800 -121.671 36.2066 -100.881 36.2069 21.8747 -170.276 -100.881 -170.276 116.613 GPRESSURE: 2268800 -57.0958 33.9609 -91.2431 74.6686 -1.92542 -52.026 -37.0788 -163.582 177.037 PRESSAVG: 2268800 -44.5642 43.0537 -2.94847 43.0538 21.6215 -11.8056 -2.94847 -11.8056 49.0123 GPRESSAVG: 2268800 -44.1693 42.9029 -2.60511 42.7568 23.0663 -12.2419 -3.43363 -13.2167 47.2017 TIMING: 2268800 CPU: 6773.16, 0.00296556/step Wall: 6773.16, 0.00296556/step, 2.24987 hours remaining, 206.714844 MB of memory in use. ENERGY: 2268800 725.3053 2139.2838 1919.7869 108.3739 -205780.5349 17535.1859 0.0000 0.0000 34513.2458 -148839.3534 301.4128 -183352.5991 -148742.8558 300.6041 5.6057 39.3388 558098.8154 8.6899 8.6996 PRESSURE: 2269000 -90.7572 6.62531 22.3707 6.62514 -207.897 -143.07 22.3714 -143.071 -271.455 GPRESSURE: 2269000 -84.6676 17.1753 -42.4395 -41.0554 -162.656 -177.149 51.7931 -1.9068 -222.43 PRESSAVG: 2269000 -17.6722 17.2575 11.4536 17.2575 15.9216 -48.0848 11.4536 -48.0849 -18.5904 GPRESSAVG: 2269000 -17.9542 17.7395 10.4288 16.0414 16.1909 -45.2188 11.6721 -48.0563 -18.3814 TIMING: 2269000 CPU: 6773.75, 0.00294983/step Wall: 6773.75, 0.00294983/step, 2.23777 hours remaining, 206.714844 MB of memory in use. ENERGY: 2269000 734.7094 2095.7426 1918.9249 111.1323 -205602.7753 17443.2005 0.0000 0.0000 34454.9959 -148844.0698 300.9040 -183299.0657 -148748.0442 300.7412 -190.0363 -156.5845 558096.3316 -6.7803 -6.7149 PRESSURE: 2269200 107.743 7.11613 201.208 7.11532 363.639 -25.3052 201.209 -25.3048 74.5508 GPRESSURE: 2269200 168.891 -39.1861 131.785 56.3913 344.292 -14.0323 170.581 -72.9865 122.453 PRESSAVG: 2269200 -18.8963 33.8763 25.2142 33.8763 -30.7947 -52.5384 25.2143 -52.5384 18.6007 GPRESSAVG: 2269200 -19.4215 32.7929 27.4732 34.1775 -30.4451 -54.9743 23.3386 -52.522 18.5608 TIMING: 2269200 CPU: 6774.34, 0.00294672/step Wall: 6774.34, 0.00294672/step, 2.23525 hours remaining, 206.714844 MB of memory in use. ENERGY: 2269200 704.1114 2129.7874 1939.0907 115.0604 -206052.3304 17933.0414 0.0000 0.0000 34494.0551 -148737.1840 301.2452 -183231.2391 -148643.5491 300.1408 181.9774 211.8786 557507.5343 -10.3634 -10.4353 PRESSURE: 2269400 -307.194 -73.3784 -185.958 -73.3789 3.99532 -79.3981 -185.96 -79.3976 37.2505 GPRESSURE: 2269400 -298.116 -117.483 -247.01 -102.994 56.3814 -83.1838 -164.073 -147.339 70.6213 PRESSAVG: 2269400 -10.6896 14.6844 -66.9167 14.6845 -4.7991 -8.23243 -66.9166 -8.23242 9.94897 GPRESSAVG: 2269400 -11.3287 16.0736 -68.2111 14.6513 -4.6904 -6.47659 -64.7538 -9.36136 10.7456 TIMING: 2269400 CPU: 6774.93, 0.00294865/step Wall: 6774.93, 0.00294865/step, 2.23655 hours remaining, 206.714844 MB of memory in use. ENERGY: 2269400 712.9910 2105.0002 1905.1339 116.0005 -205984.8464 17833.7817 0.0000 0.0000 34582.7917 -148729.1475 302.0201 -183311.9392 -148633.4691 300.5158 -88.6493 -57.0377 559062.2262 -1.8466 -1.7578 PRESSURE: 2269600 -125.785 31.3749 149.866 31.3754 -118.944 73.7278 149.866 73.7292 -123.272 GPRESSURE: 2269600 -87.5379 51.2372 162.166 -44.7314 -9.32211 76.2423 -17.0933 67.5683 -171.238 PRESSAVG: 2269600 -65.3737 -0.351481 -89.2397 -0.35149 -7.83202 -50.0963 -89.2397 -50.0962 47.6415 GPRESSAVG: 2269600 -64.897 -1.34485 -90.1885 0.944623 -8.40424 -51.4285 -89.8374 -49.3549 48.3881 TIMING: 2269600 CPU: 6775.52, 0.00295843/step Wall: 6775.52, 0.00295843/step, 2.24381 hours remaining, 206.714844 MB of memory in use. ENERGY: 2269600 771.2987 2070.4214 1924.1430 112.8640 -205924.0388 17768.9781 0.0000 0.0000 34615.5100 -148660.8238 302.3059 -183276.3337 -148565.3097 300.5751 -122.6670 -89.3659 558520.0299 -8.5214 -8.3044 PRESSURE: 2269800 237.776 -66.3083 -88.2837 -66.3089 -96.9884 -7.10553 -88.283 -7.10427 -46.0188 GPRESSURE: 2269800 210.464 -48.9914 -151.621 -76.5521 -15.9022 -60.4514 -131.945 -68.1 15.1018 PRESSAVG: 2269800 -48.237 5.4155 -1.24362 5.41541 40.9062 29.3807 -1.24356 29.3808 19.3557 GPRESSAVG: 2269800 -48.3027 3.68237 0.24373 5.44534 40.9791 29.4562 -1.90442 29.8151 19.3566 TIMING: 2269800 CPU: 6776.11, 0.00294441/step Wall: 6776.11, 0.00294441/step, 2.23301 hours remaining, 206.714844 MB of memory in use. ENERGY: 2269800 718.3485 2053.4202 1937.2275 113.4990 -205631.0650 17698.5898 0.0000 0.0000 34463.4381 -148646.5418 300.9778 -183109.9800 -148555.4485 301.3484 31.5895 69.8879 556228.0085 4.0083 4.0110 PRESSURE: 2270000 -211.332 105.428 -337.072 105.429 -247.233 -51.1948 -337.072 -51.1938 -193.643 GPRESSURE: 2270000 -147.685 151.548 -274.146 69.4707 -194.965 38.838 -337.324 -37.0768 -211.016 PRESSAVG: 2270000 20.8331 25.8276 -61.5564 25.8276 8.80936 31.4673 -61.5562 31.4673 -28.1326 GPRESSAVG: 2270000 21.7361 29.7729 -61.8472 25.1773 8.29418 34.709 -62.8947 30.4513 -28.7789 TIMING: 2270000 CPU: 6776.7, 0.0029219/step Wall: 6776.7, 0.0029219/step, 2.21578 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2270000 752.9854 2052.2172 1939.0853 111.1310 -205268.5829 17239.4383 0.0000 0.0000 34341.1357 -148832.5900 299.9097 -183173.7257 -148726.8239 300.2265 -217.4027 -184.5555 558464.9910 0.5033 0.4171 PRESSURE: 2270200 -445.48 181.168 -40.4318 181.168 -107.61 -100.09 -40.4332 -100.089 -63.3781 GPRESSURE: 2270200 -429.369 192.724 -116.671 285.711 -82.3905 -126.312 58.4647 -43.8737 -16.977 PRESSAVG: 2270200 -79.5658 45.2314 -54.7271 45.2313 17.4504 -16.5527 -54.7271 -16.5526 37.4626 GPRESSAVG: 2270200 -79.9798 43.9806 -55.4664 45.8613 17.2177 -17.6553 -52.4907 -16.9168 38.3533 TIMING: 2270200 CPU: 6777.29, 0.00296908/step Wall: 6777.29, 0.00296908/step, 2.25138 hours remaining, 206.714844 MB of memory in use. ENERGY: 2270200 741.1333 2092.5474 1914.9347 119.3753 -205272.8042 17221.5613 0.0000 0.0000 34441.1760 -148742.0760 300.7834 -183183.2521 -148643.6485 300.4532 -205.4893 -176.2455 558032.0915 -8.2176 -8.1363 PRESSURE: 2270400 -118.013 32.9948 21.518 32.9945 -232.842 -188.661 21.518 -188.662 41.1897 GPRESSURE: 2270400 -83.5197 66.8891 -76.7995 -87.7017 -173.972 -197.122 61.6357 -172.252 53.0709 PRESSAVG: 2270400 -28.7849 -39.8649 -7.8392 -39.8648 -1.09547 -12.5063 -7.8391 -12.5062 34.4177 GPRESSAVG: 2270400 -29.2915 -40.8604 -7.8966 -40.4372 -0.750329 -13.6033 -8.40717 -11.5379 34.3722 TIMING: 2270400 CPU: 6777.88, 0.00296114/step Wall: 6777.88, 0.00296114/step, 2.2452 hours remaining, 206.714844 MB of memory in use. ENERGY: 2270400 777.2729 2088.2878 1923.6012 100.0599 -205633.4739 17632.3981 0.0000 0.0000 34236.2868 -148875.5672 298.9940 -183111.8540 -148775.4907 300.0481 -103.2218 -68.1403 557552.9647 1.5124 1.4435 PRESSURE: 2270600 152.696 21.4407 141.759 21.4406 -59.8126 45.1759 141.76 45.175 -41.616 GPRESSURE: 2270600 197.443 -15.4654 104.703 29.9087 -15.3238 114.259 119.833 -58.063 -37.4011 PRESSAVG: 2270600 3.29946 -3.72021 -34.1541 -3.72028 37.746 -26.5446 -34.154 -26.5446 -32.1677 GPRESSAVG: 2270600 3.22486 -2.61082 -33.6942 -5.0717 38.5767 -25.7412 -34.299 -26.4884 -32.6754 TIMING: 2270600 CPU: 6778.48, 0.00298314/step Wall: 6778.48, 0.00298314/step, 2.26172 hours remaining, 206.714844 MB of memory in use. ENERGY: 2270600 755.7645 2104.2062 1921.3748 114.2155 -205930.9815 17804.6774 0.0000 0.0000 34414.7851 -148815.9580 300.5529 -183230.7431 -148718.1759 300.4416 17.0892 48.2395 557564.9994 2.9593 3.0421 PRESSURE: 2270800 -46.2783 41.4656 77.7741 41.4663 62.9569 -132.234 77.7738 -132.235 -127.64 GPRESSURE: 2270800 45.2722 -1.27933 31.5652 24.1141 59.4983 -136.159 90.5097 -149.82 -120.435 PRESSAVG: 2270800 45.1255 16.3042 7.0077 16.3042 18.3944 -8.97952 7.00764 -8.97955 -6.28286 GPRESSAVG: 2270800 46.4025 16.8483 8.39712 18.8065 18.1444 -8.09146 6.20807 -10.403 -7.28828 TIMING: 2270800 CPU: 6779.08, 0.00300028/step Wall: 6779.08, 0.00300028/step, 2.27454 hours remaining, 206.714844 MB of memory in use. ENERGY: 2270800 741.9341 2059.6805 1906.2882 120.4628 -205883.0443 17739.6767 0.0000 0.0000 34425.2655 -148889.7365 300.6444 -183315.0019 -148790.9521 300.0212 -36.9873 -5.2216 557123.4865 19.0790 19.0862 PRESSURE: 2271000 92.5338 -98.3921 242.814 -98.3927 31.0957 44.4866 242.814 44.4845 -101.281 GPRESSURE: 2271000 110.905 -150.912 266.028 7.59143 60.5673 35.9258 293.261 59.3919 -51.7506 PRESSAVG: 2271000 6.273 -39.3453 21.0334 -39.3454 -27.9496 -15.7286 21.0335 -15.7284 9.39958 GPRESSAVG: 2271000 5.37901 -41.1569 20.9997 -39.1959 -28.2533 -16.6624 20.5912 -15.6893 10.382 TIMING: 2271000 CPU: 6779.67, 0.00294178/step Wall: 6779.67, 0.00294178/step, 2.23003 hours remaining, 206.714844 MB of memory in use. ENERGY: 2271000 755.3331 2091.4981 1915.7204 112.4077 -205822.6900 17712.1018 0.0000 0.0000 34276.7165 -148958.9123 299.3471 -183235.6288 -148860.7280 299.7947 7.4494 39.9071 557232.5023 -4.0923 -4.1641 PRESSURE: 2271200 -159.756 14.2631 16.529 14.2636 16.734 39.8214 16.5289 39.8199 -57.8519 GPRESSURE: 2271200 -137.407 22.5506 30.2658 109.95 58.6895 23.8485 67.1351 -33.5256 -28.0936 PRESSAVG: 2271200 36.3844 -19.4668 20.9943 -19.4668 18.5209 -32.7758 20.9943 -32.7757 -10.7034 GPRESSAVG: 2271200 36.5914 -18.9588 20.6891 -21.7532 19.3668 -34.9308 23.0875 -30.6959 -11.8651 TIMING: 2271200 CPU: 6780.26, 0.0029757/step Wall: 6780.26, 0.0029757/step, 2.25558 hours remaining, 206.714844 MB of memory in use. ENERGY: 2271200 736.2813 2128.1117 1925.6656 126.0733 -205990.0158 17746.6050 0.0000 0.0000 34261.4575 -149065.8215 299.2138 -183327.2790 -148967.2791 300.6510 -66.9580 -35.6038 557403.1025 14.7340 14.6977 PRESSURE: 2271400 -137.141 77.4931 -55.581 77.4933 -166.316 -61.8775 -55.581 -61.8802 -101.513 GPRESSURE: 2271400 -96.6344 54.515 24.6167 67.7148 -149.633 -149.364 -123.607 -70.5519 -62.2141 PRESSAVG: 2271400 -49.564 -5.16272 36.1829 -5.16285 26.3934 -1.09635 36.1829 -1.09646 -8.29586 GPRESSAVG: 2271400 -50.7612 -2.70339 38.0058 -6.78795 26.8094 0.749716 33.9463 -1.05936 -7.82412 TIMING: 2271400 CPU: 6780.85, 0.00293952/step Wall: 6780.85, 0.00293952/step, 2.22799 hours remaining, 206.714844 MB of memory in use. ENERGY: 2271400 744.2158 2159.2865 1902.9620 114.0531 -205844.2205 17627.1507 0.0000 0.0000 34096.5684 -149199.9841 297.7738 -183296.5525 -149104.5827 299.4500 -134.9901 -102.8273 557110.9099 -10.4888 -10.5920 PRESSURE: 2271600 -185.407 -49.6641 -27.4941 -49.6634 -142.099 -136.452 -27.4962 -136.455 -76.8209 GPRESSURE: 2271600 -247.762 -10.2365 -27.6582 -113.619 -25.5031 -123.916 18.9383 -81.5735 -31.7962 PRESSAVG: 2271600 -51.312 36.6248 25.1089 36.6249 -9.84249 31.1739 25.1089 31.174 72.7037 GPRESSAVG: 2271600 -51.4563 34.3041 23.1834 38.0511 -11.4148 31.5389 28.2846 30.2139 74.6458 TIMING: 2271600 CPU: 6781.44, 0.00294278/step Wall: 6781.44, 0.00294278/step, 2.2303 hours remaining, 206.714844 MB of memory in use. ENERGY: 2271600 761.2695 2099.9051 1937.6173 101.6944 -205905.3373 17509.1530 0.0000 0.0000 34589.0035 -148906.6945 302.0744 -183495.6980 -148810.1480 300.0343 -134.7756 -101.6869 556924.7503 3.8498 3.9249 PRESSURE: 2271800 24.8863 -17.8495 -46.2491 -17.8506 125.629 134.174 -46.2501 134.175 77.8295 GPRESSURE: 2271800 107.058 17.9574 -5.01274 15.9651 137.202 178.853 -74.7498 80.0746 83.0543 PRESSAVG: 2271800 -36.099 -42.5693 -6.16504 -42.5694 47.729 3.51529 -6.16504 3.51527 11.5221 GPRESSAVG: 2271800 -36.4896 -41.4491 -5.78415 -42.8072 47.9707 3.76016 -6.6623 2.8266 10.9208 TIMING: 2271800 CPU: 6782.03, 0.00294242/step Wall: 6782.03, 0.00294242/step, 2.22986 hours remaining, 206.714844 MB of memory in use. ENERGY: 2271800 752.2289 2143.2538 1943.0735 111.7240 -205870.7028 17812.7616 0.0000 0.0000 34225.5279 -148882.1330 298.9000 -183107.6609 -148788.5085 300.0618 76.1148 109.1047 557469.3514 7.7174 7.4673 PRESSURE: 2272000 -59.2488 -151.662 107.504 -151.662 85.3369 -152.062 107.504 -152.062 -43.0372 GPRESSURE: 2272000 -47.156 -167.059 56.1733 -149.194 89.7757 -146.323 177.894 -102.717 42.7837 PRESSAVG: 2272000 -36.2928 -54.7469 -14.3607 -54.7468 21 -35.1691 -14.3607 -35.1689 -7.95941 GPRESSAVG: 2272000 -35.7383 -55.9749 -13.4131 -54.0798 21.0219 -35.2806 -13.3445 -35.2985 -8.90687 TIMING: 2272000 CPU: 6782.62, 0.00293468/step Wall: 6782.62, 0.00293468/step, 2.22384 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2272000 760.7610 2130.0526 1917.3221 101.2291 -205840.7806 17787.3080 0.0000 0.0000 34329.9521 -148814.1557 299.8120 -183144.1078 -148716.3146 299.8724 -5.6497 28.4678 557997.2069 -7.7507 -7.8745 PRESSURE: 2272200 -181.673 64.5151 -30.688 64.5155 -546.062 109.578 -30.6868 109.579 -6.00318 GPRESSURE: 2272200 -130.652 70.0958 125.307 64.3017 -535.338 115.452 29.6598 50.1796 34.5853 PRESSAVG: 2272200 -83.9325 25.5227 13.111 25.5227 22.2274 -3.98823 13.1108 -3.9883 16.9115 GPRESSAVG: 2272200 -83.3176 24.6374 11.7553 26.4034 21.31 -4.97178 11.101 -3.05572 16.9587 TIMING: 2272200 CPU: 6783.21, 0.00295048/step Wall: 6783.21, 0.00295048/step, 2.23564 hours remaining, 206.714844 MB of memory in use. ENERGY: 2272200 760.2436 2132.8886 1912.9217 115.6957 -205551.0212 17257.5596 0.0000 0.0000 34501.3152 -148870.3968 301.3086 -183371.7119 -148777.7871 300.3434 -244.5795 -210.4685 556758.2933 -14.9312 -15.0163 LDB: ============= START OF LOAD BALANCING ============== 6786.75 LDB: ============== END OF LOAD BALANCING =============== 6786.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6786.75 LDB: ============= START OF LOAD BALANCING ============== 6787.04 LDB: Largest compute 4773 load 0.031176 is 26.4% of average load 0.118249 LDB: Average compute 0.001723 is 1.5% of average load 0.118249 LDB: TIME 6787.05 LOAD: AVG 0.118249 MAX 0.197693 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 6787.05 LOAD: AVG 0.118249 MAX 0.197693 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 6787.05 LOAD: AVG 0.118249 MAX 0.197693 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6787.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6787.05 PRESSURE: 2272400 -4.6706 10.8532 42.9008 10.8535 86.8935 -5.25402 42.9004 -5.25367 -186.254 GPRESSURE: 2272400 -34.3499 -29.8626 46.9217 20.9672 101.061 60.8066 -19.32 -141.622 -61.2529 PRESSAVG: 2272400 -63.4396 25.275 19.2412 25.2751 -12.0113 -42.3244 19.2413 -42.3245 62.4543 GPRESSAVG: 2272400 -63.5544 26.3464 20.6005 25.0986 -11.3412 -43.9057 18.0456 -42.6377 62.2864 TIMING: 2272400 CPU: 6783.8, 0.00298324/step Wall: 6783.8, 0.00298324/step, 2.2603 hours remaining, 206.714844 MB of memory in use. ENERGY: 2272400 766.8418 2033.7048 1925.3696 125.9451 -205694.8785 17673.0655 0.0000 0.0000 34165.3352 -149004.6165 298.3744 -183169.9517 -148904.1659 300.9707 -34.6769 1.8193 557140.5918 -4.3322 -4.2031 PRESSURE: 2272600 -68.9835 -99.4784 -80.7495 -99.4785 29.3791 -86.2407 -80.7494 -86.241 100.901 GPRESSURE: 2272600 -8.76574 -80.8414 -84.133 -101.554 76.1424 -117.059 3.34267 2.18534 88.4177 PRESSAVG: 2272600 -29.4162 52.054 -19.2791 52.0541 28.8867 -2.96897 -19.2791 -2.96904 9.9668 GPRESSAVG: 2272600 -28.8288 51.4288 -20.1731 50.6174 26.8395 -3.77751 -16.9344 -1.77865 10.9825 TIMING: 2272600 CPU: 6784.39, 0.00295849/step Wall: 6784.39, 0.00295849/step, 2.24139 hours remaining, 206.714844 MB of memory in use. ENERGY: 2272600 790.6967 2133.6030 1918.5949 112.9450 -206076.0337 17820.2802 0.0000 0.0000 34286.3182 -149013.5957 299.4309 -183299.9139 -148918.1105 299.7948 20.4322 51.9314 556771.4961 3.1458 2.9977 PRESSURE: 2272800 -92.4517 23.1651 32.6006 23.1659 -115.591 -144.074 32.6013 -144.074 12.3068 GPRESSURE: 2272800 -63.8626 -7.04876 -7.44028 60.5144 -50.7517 -95.9293 118.249 -186.777 9.47597 PRESSAVG: 2272800 -32.697 -23.5096 52.1166 -23.5096 12.906 -6.69028 52.1166 -6.69022 33.341 GPRESSAVG: 2272800 -33.2539 -22.9958 50.896 -23.1229 14.6445 -5.67812 52.2083 -6.39405 32.4574 TIMING: 2272800 CPU: 6784.98, 0.00294402/step Wall: 6784.98, 0.00294402/step, 2.23026 hours remaining, 206.714844 MB of memory in use. ENERGY: 2272800 765.8071 2121.4951 1933.6077 109.2012 -205896.4574 17679.8822 0.0000 0.0000 34259.7388 -149026.7255 299.1988 -183286.4643 -148931.8538 299.9559 -65.2453 -35.0461 556668.0915 4.5166 4.6160 PRESSURE: 2273000 -240.202 38.6209 -88.7828 38.6201 -132.186 -25.91 -88.7832 -25.9101 -413.059 GPRESSURE: 2273000 -191.265 41.2399 45.7121 41.1974 -89.6667 -5.13748 -97.9871 -50.2214 -401.847 PRESSAVG: 2273000 78.4303 11.069 12.4599 11.0691 -25.0679 47.049 12.46 47.0489 -32.9333 GPRESSAVG: 2273000 77.5096 12.6176 12.0287 10.3423 -23.8992 47.7122 13.3896 46.1967 -33.3271 TIMING: 2273000 CPU: 6785.57, 0.00294301/step Wall: 6785.57, 0.00294301/step, 2.22933 hours remaining, 206.714844 MB of memory in use. ENERGY: 2273000 755.4711 2126.9085 1917.0198 98.8204 -205847.0567 17356.5667 0.0000 0.0000 34239.8726 -149352.3976 299.0253 -183592.2702 -149256.8171 300.0517 -261.8156 -227.5928 557303.8389 6.8097 6.7611 PRESSURE: 2273200 5.79891 45.2218 -45.2523 45.2225 -25.9641 97.5201 -45.2512 97.5191 29.5393 GPRESSURE: 2273200 -16.9664 93.0721 -68.2718 -45.3392 46.3962 85.4789 -41.3728 90.3266 79.0885 PRESSAVG: 2273200 5.01351 19.2252 -1.08921 19.2252 -10.9083 22.2255 -1.08913 22.2254 5.23924 GPRESSAVG: 2273200 5.45971 17.139 -1.30737 21.2594 -12.242 20.8189 -1.56036 23.2474 6.03421 TIMING: 2273200 CPU: 6786.16, 0.00293174/step Wall: 6786.16, 0.00293174/step, 2.22063 hours remaining, 206.714844 MB of memory in use. ENERGY: 2273200 766.2185 2110.7996 1921.8176 116.1019 -206541.3364 17974.4411 0.0000 0.0000 34227.6637 -149424.2940 298.9187 -183651.9577 -149326.5046 298.6143 3.1247 36.1727 556288.4223 -0.2185 -0.2493 PRESSURE: 2273400 -198.755 108.485 -2.68885 108.485 -249.568 84.4989 -2.688 84.4987 -126.96 GPRESSURE: 2273400 -145.815 172.861 -134.769 88.2174 -244.655 61.0013 96.9689 90.1746 -83.0034 PRESSAVG: 2273400 -19.8744 31.0409 -53.2156 31.0409 16.9277 36.948 -53.2157 36.948 -18.9681 GPRESSAVG: 2273400 -20.2087 33.506 -53.3087 29.796 18.4005 38.8318 -53.1666 35.6625 -19.9911 TIMING: 2273400 CPU: 6786.74, 0.00291098/step Wall: 6786.74, 0.00291098/step, 2.20474 hours remaining, 206.714844 MB of memory in use. ENERGY: 2273400 763.5459 2093.4190 1919.6066 108.3550 -205959.1433 17616.8220 0.0000 0.0000 34296.8209 -149160.5740 299.5227 -183457.3949 -149064.0753 299.2204 -191.7610 -157.8246 556795.9585 -7.3050 -7.2664 PRESSURE: 2273600 -220.079 -40.8513 82.9097 -40.8508 -34.8508 48.462 82.9088 48.4639 158.713 GPRESSURE: 2273600 -145.432 -32.7965 91.0913 -30.0069 -44.2918 84.4377 51.1687 -0.673063 186.297 PRESSAVG: 2273600 -16.5958 50.8986 -20.2989 50.8986 -8.02641 -46.3421 -20.299 -46.3422 20.7557 GPRESSAVG: 2273600 -16.1593 49.4562 -19.8617 51.9252 -8.1589 -46.8158 -21.1066 -45.1099 20.6457 TIMING: 2273600 CPU: 6787.33, 0.00292455/step Wall: 6787.33, 0.00292455/step, 2.21486 hours remaining, 206.714844 MB of memory in use. ENERGY: 2273600 705.3621 2111.2597 1921.6897 103.6589 -205988.1511 17601.2968 0.0000 0.0000 34421.6715 -149123.2125 300.6130 -183544.8840 -149018.2617 300.4052 -32.0723 -1.1421 556354.4027 -1.2888 -1.2242 PRESSURE: 2273800 -142.225 -27.2354 93.685 -27.2353 -61.6217 117.612 93.6862 117.612 -185.67 GPRESSURE: 2273800 -79.0856 -6.39036 45.5689 -125.036 -68.2873 69.4038 143.028 61.7292 -150.516 PRESSAVG: 2273800 3.74446 15.2372 7.66685 15.2372 1.87906 -44.0161 7.66679 -44.0161 -8.07271 GPRESSAVG: 2273800 3.77198 14.0771 7.74019 15.3461 0.880272 -43.7576 6.56738 -45.3339 -7.1328 TIMING: 2273800 CPU: 6787.91, 0.0029441/step Wall: 6787.91, 0.0029441/step, 2.2295 hours remaining, 206.714844 MB of memory in use. ENERGY: 2273800 738.8437 2103.0831 1919.6189 116.8191 -205950.1188 17639.6165 0.0000 0.0000 34232.7592 -149199.3783 298.9632 -183432.1376 -149101.4829 299.4465 -129.8392 -99.2964 559102.5184 -0.8164 -0.8268 PRESSURE: 2274000 -230.101 -24.0571 -272.698 -24.0585 -63.2071 -32.4017 -272.697 -32.4023 48.1143 GPRESSURE: 2274000 -193.732 -61.3605 -253.426 -22.5318 -17.9579 -10.2956 -343.779 34.6635 65.8279 PRESSAVG: 2274000 3.17485 43.0203 29.3917 43.0203 5.75965 26.1171 29.3917 26.1171 34.2047 GPRESSAVG: 2274000 3.88606 43.8087 29.9124 43.8836 5.34519 25.5269 31.7888 26.727 35.2516 TIMING: 2274000 CPU: 6788.5, 0.00295324/step Wall: 6788.5, 0.00295324/step, 2.23626 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2274000 730.9074 2065.6891 1941.1864 122.1749 -206341.4467 17746.5638 0.0000 0.0000 34461.4619 -149273.4631 300.9605 -183734.9251 -149175.9704 299.3857 -81.7314 -48.6208 557325.3753 14.3797 14.8276 PRESSURE: 2274200 -32.6413 89.2006 67.2151 89.2011 -26.1973 -91.6196 67.2168 -91.6183 269.694 GPRESSURE: 2274200 40.4088 110.871 9.28548 14.0216 45.9176 -32.6863 66.8536 -98.0074 224.45 PRESSAVG: 2274200 -74.8507 44.548 -33.5926 44.548 -8.31161 -9.3768 -33.5927 -9.37683 61.8657 GPRESSAVG: 2274200 -74.6534 44.0565 -34.4578 44.9376 -7.71736 -8.11731 -35.603 -10.8322 61.3647 TIMING: 2274200 CPU: 6789.09, 0.00294943/step Wall: 6789.09, 0.00294943/step, 2.23321 hours remaining, 206.714844 MB of memory in use. ENERGY: 2274200 738.0394 2061.3453 1923.3315 114.8300 -206689.4683 18059.0180 0.0000 0.0000 34405.2744 -149387.6297 300.4698 -183792.9042 -149297.3778 299.3717 70.2850 103.5922 558346.7415 -7.0989 -7.0020 PRESSURE: 2274400 -218.832 -107.792 -77.7065 -107.791 0.271465 111.007 -77.7087 111.007 45.4377 GPRESSURE: 2274400 -149.11 -42.2906 -53.6573 -118.255 15.418 113.101 -151.372 69.0334 79.8729 PRESSAVG: 2274400 -0.128412 43.3171 -29.4085 43.3172 -36.8487 -11.3331 -29.4086 -11.3332 25.856 GPRESSAVG: 2274400 -0.828745 44.772 -28.3809 42.8118 -35.1959 -11.2188 -29.4713 -10.2097 24.9472 TIMING: 2274400 CPU: 6789.68, 0.00293774/step Wall: 6789.68, 0.00293774/step, 2.2242 hours remaining, 206.714844 MB of memory in use. ENERGY: 2274400 749.9349 2078.2523 1921.3571 117.2816 -206363.5462 17927.3905 0.0000 0.0000 34184.8542 -149384.4756 298.5448 -183569.3298 -149288.2497 298.8532 -57.7076 -17.9398 558495.8494 -3.7070 -3.6925 PRESSURE: 2274600 -3.47462 14.5214 130.886 14.5206 45.3932 2.96663 130.885 2.96797 -239.91 GPRESSURE: 2274600 -37.2347 -49.1847 156.598 14.8676 107.679 10.8737 165.942 -54.9079 -185.729 PRESSAVG: 2274600 13.9034 74.2657 -18.9336 74.2657 2.45137 19.9241 -18.9336 19.924 -11.8755 GPRESSAVG: 2274600 14.8505 72.7171 -19.3391 74.489 0.956164 18.888 -17.8885 18.8207 -11.4175 TIMING: 2274600 CPU: 6790.27, 0.00294685/step Wall: 6790.27, 0.00294685/step, 2.23093 hours remaining, 206.714844 MB of memory in use. ENERGY: 2274600 719.8638 2074.0172 1963.4780 106.9514 -206185.6526 17745.7640 0.0000 0.0000 34240.4714 -149335.1069 299.0306 -183575.5783 -149244.1513 299.1835 -65.9972 -38.4283 558272.2994 1.4931 1.4631 PRESSURE: 2274800 196.638 193.093 37.7214 193.093 66.4857 135.208 37.7214 135.209 -256.921 GPRESSURE: 2274800 251.95 173.259 -10.8544 203.756 109.223 89.6847 -19.0722 171.891 -276.549 PRESSAVG: 2274800 -54.9785 29.5935 -5.52768 29.5936 -7.42944 -43.9563 -5.52764 -43.9563 72.9211 GPRESSAVG: 2274800 -54.897 33.0915 -3.53861 28.5672 -6.91151 -43.8934 -6.50979 -42.6162 71.9055 TIMING: 2274800 CPU: 6790.86, 0.00293646/step Wall: 6790.86, 0.00293646/step, 2.2229 hours remaining, 206.714844 MB of memory in use. ENERGY: 2274800 726.1954 2187.4946 1925.8618 109.9420 -206410.6817 17865.1737 0.0000 0.0000 34200.2314 -149395.7826 298.6791 -183596.0141 -149299.8145 299.1666 2.0678 28.2080 557814.1710 3.5044 3.3656 PRESSURE: 2275000 291.819 133.377 105.135 133.377 -38.1396 103.052 105.135 103.051 143.137 GPRESSURE: 2275000 318.849 102.528 200.256 148.301 15.8865 143.457 90.1707 23.7154 179.835 PRESSAVG: 2275000 8.27503 36.695 -20.9443 36.6951 6.8354 49.7769 -20.9443 49.7768 14.9847 GPRESSAVG: 2275000 8.34311 32.8283 -23.0288 36.2655 6.29725 49.5096 -20.6809 50.2922 15.3308 TIMING: 2275000 CPU: 6791.44, 0.00292739/step Wall: 6791.44, 0.00292739/step, 2.21587 hours remaining, 206.714844 MB of memory in use. ENERGY: 2275000 748.6856 2094.3135 1919.9666 111.1603 -206787.9356 18090.1509 0.0000 0.0000 34101.2547 -149722.4041 297.8147 -183823.6587 -149623.3563 298.7846 132.2721 171.5235 555870.6885 10.0317 9.9904 PRESSURE: 2275200 -86.3627 -93.0788 -77.5345 -93.0797 19.1506 -48.3741 -77.5335 -48.3737 -100.343 GPRESSURE: 2275200 -76.3282 -136.613 -72.3305 46.6838 57.9597 -22.6131 -54.7238 -18.6954 -57.8165 PRESSAVG: 2275200 7.21776 -1.82812 -32.8803 -1.8282 7.41485 18.1101 -32.8803 18.1101 4.21095 GPRESSAVG: 2275200 5.05464 -1.83795 -33.5913 -1.02887 8.06626 17.7076 -32.3301 16.7596 6.1712 TIMING: 2275200 CPU: 6792.03, 0.00295104/step Wall: 6792.03, 0.00295104/step, 2.23361 hours remaining, 206.714844 MB of memory in use. ENERGY: 2275200 740.4736 2053.8124 1893.7876 120.4697 -206527.0044 17674.6519 0.0000 0.0000 34214.3805 -149829.4287 298.8027 -184043.8092 -149728.1842 297.9819 -55.8517 -25.3950 556597.6148 6.2812 6.4307 PRESSURE: 2275400 -133.123 271.942 -15.9519 271.941 -5.66428 1.4393 -15.9507 1.43992 -251.753 GPRESSURE: 2275400 -114.489 300.269 -112.641 247.304 41.1983 0.924309 52.1914 -2.39241 -232.748 PRESSAVG: 2275400 19.9091 14.3438 -9.44385 14.3438 -16.132 -18.6721 -9.4438 -18.6721 -13.4005 GPRESSAVG: 2275400 21.5648 16.4732 -8.58143 13.7373 -15.5703 -17.4423 -9.67917 -17.538 -15.724 TIMING: 2275400 CPU: 6792.63, 0.00296667/step Wall: 6792.63, 0.00296667/step, 2.24528 hours remaining, 206.714844 MB of memory in use. ENERGY: 2275400 758.7164 2061.4993 1898.4681 112.8421 -206802.3070 17769.5304 0.0000 0.0000 34249.6638 -149951.5869 299.1108 -184201.2507 -149840.7392 297.7434 -130.1803 -102.0128 556283.2797 -3.2078 -3.2432 PRESSURE: 2275600 52.8699 60.2516 33.7795 60.253 -69.2854 -51.7356 33.7799 -51.7363 13.4615 GPRESSURE: 2275600 74.2905 99.4546 132.677 -8.65576 20.922 -39.5272 -7.96739 -91.5153 -5.78695 PRESSAVG: 2275600 35.7694 31.3889 -32.2815 31.3887 -68.5156 38.2068 -32.2815 38.2068 -5.40114 GPRESSAVG: 2275600 36.3176 30.1867 -32.5533 31.4106 -69.497 39.2187 -32.7074 35.913 -4.70853 TIMING: 2275600 CPU: 6793.22, 0.00297376/step Wall: 6793.22, 0.00297376/step, 2.25047 hours remaining, 206.714844 MB of memory in use. ENERGY: 2275600 755.8530 2049.4596 1925.1540 126.4295 -206795.5202 17980.0306 0.0000 0.0000 34090.9368 -149867.6568 297.7246 -183958.5936 -149770.9417 298.0207 -0.9847 29.8085 556792.7044 -12.7158 -12.6293 PRESSURE: 2275800 95.9598 78.4678 72.2207 78.468 -147.687 129.602 72.2207 129.602 218.853 GPRESSURE: 2275800 104.714 146.242 54.9334 103.664 -81.5237 149.249 -13.4169 131.828 247.074 PRESSAVG: 2275800 -11.6633 6.37965 36.1411 6.37963 1.30727 -37.4765 36.1412 -37.4765 16.6072 GPRESSAVG: 2275800 -12.6888 8.93937 36.6772 6.15742 2.09413 -39.2947 35.3336 -36.4978 16.8687 TIMING: 2275800 CPU: 6793.82, 0.00299484/step Wall: 6793.82, 0.00299484/step, 2.26626 hours remaining, 206.714844 MB of memory in use. ENERGY: 2275800 746.1457 2061.9093 1924.5166 118.0357 -206547.2387 17792.4721 0.0000 0.0000 34056.6444 -149847.5148 297.4251 -183904.1592 -149743.3045 297.6542 55.7086 90.0883 555920.3170 2.0837 2.0913 PRESSURE: 2276000 -7.58278 38.0883 -57.1999 38.0893 -90.9341 -212.125 -57.1986 -212.125 79.9331 GPRESSURE: 2276000 -12.6026 -54.8695 -44.3953 41.2227 -56.5597 -116.675 -61.601 -184.142 143.941 PRESSAVG: 2276000 43.6748 5.83764 66.4386 5.83775 -27.784 31.7195 66.4387 31.7195 7.33615 GPRESSAVG: 2276000 43.8682 4.36526 66.5418 6.3133 -27.6287 32.6175 68.5864 32.4478 6.49411 TIMING: 2276000 CPU: 6794.42, 0.0030004/step Wall: 6794.42, 0.0030004/step, 2.2703 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2276000 754.6326 2077.1124 1938.3464 116.8252 -206734.4584 18024.1270 0.0000 0.0000 33836.9980 -149986.4168 295.5069 -183823.4147 -149884.9496 297.4275 -6.1946 24.9262 557742.5297 7.7423 7.5779 PRESSURE: 2276200 -268.667 -15.0531 -16.8101 -15.0528 -158.756 14.1773 -16.8105 14.1775 -204.36 GPRESSURE: 2276200 -262.898 43.8374 -31.2633 -57.6501 -104.716 36.5248 68.01 17.48 -159.072 PRESSAVG: 2276200 31.8407 -9.29054 -6.56438 -9.29048 21.3296 34.8423 -6.56433 34.8423 10.5215 GPRESSAVG: 2276200 31.9916 -9.5911 -8.84349 -10.3808 21.3256 35.3618 -7.5395 36.002 11.0502 TIMING: 2276200 CPU: 6795.02, 0.00298123/step Wall: 6795.02, 0.00298123/step, 2.25563 hours remaining, 206.714844 MB of memory in use. ENERGY: 2276200 783.1487 2037.1402 1915.1893 118.7542 -206234.3027 17590.2742 0.0000 0.0000 33947.8401 -149841.9560 296.4749 -183789.7961 -149741.2219 297.5711 -210.5943 -175.5618 557005.2781 21.2306 21.4558 LDB: ============= START OF LOAD BALANCING ============== 6798.57 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6798.57 LDB: =============== DONE WITH MIGRATION ================ 6798.57 LDB: ============= START OF LOAD BALANCING ============== 6798.87 LDB: Largest compute 4773 load 0.031110 is 26.3% of average load 0.118250 LDB: Average compute 0.001716 is 1.5% of average load 0.118250 LDB: TIME 6798.87 LOAD: AVG 0.11825 MAX 0.200742 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.203 MB LDB: TIME 6798.87 LOAD: AVG 0.11825 MAX 0.200742 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.207 MB LDB: TIME 6798.87 LOAD: AVG 0.11825 MAX 0.200742 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.207 MB LDB: ============== END OF LOAD BALANCING =============== 6798.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6798.88 PRESSURE: 2276400 -181.452 -47.7319 120.956 -47.7323 -57.6612 215.931 120.958 215.932 -39.471 GPRESSURE: 2276400 -137.616 -27.0128 111.93 -111.98 -78.2215 213.145 109.966 183.932 36.6929 PRESSAVG: 2276400 7.8694 -6.29646 -18.5758 -6.29658 -1.44711 10.9748 -18.5758 10.9747 49.1251 GPRESSAVG: 2276400 7.65558 -5.75382 -18.0851 -4.24893 -0.970534 10.4155 -17.8072 10.9417 49.2582 TIMING: 2276400 CPU: 6795.63, 0.00304723/step Wall: 6795.63, 0.00304723/step, 2.3054 hours remaining, 207.996094 MB of memory in use. ENERGY: 2276400 763.2140 2075.1608 1898.7910 115.4563 -206677.5895 17838.4854 0.0000 0.0000 33982.0622 -150004.4197 296.7738 -183986.4820 -149906.1838 297.0416 -92.8615 -59.7148 557150.3658 18.5158 18.6478 PRESSURE: 2276600 3.56134 -18.1297 -37.9013 -18.1295 -348.891 65.9535 -37.9023 65.9554 -322.999 GPRESSURE: 2276600 7.93016 25.7934 34.916 -90.4901 -273.577 99.9635 -60.7349 79.0056 -315.759 PRESSAVG: 2276600 27.0245 -9.36944 -64.1317 -9.36952 -10.6556 45.0234 -64.1317 45.0233 -16.5825 GPRESSAVG: 2276600 27.3509 -10.4697 -61.9856 -8.70689 -11.2661 44.1668 -67.2348 45.0681 -16.4236 TIMING: 2276600 CPU: 6796.22, 0.00297247/step Wall: 6796.22, 0.00297247/step, 2.24868 hours remaining, 208.300781 MB of memory in use. ENERGY: 2276600 774.5773 2087.5540 1912.3664 122.7521 -206314.2113 17586.2098 0.0000 0.0000 33948.6360 -149882.1156 296.4819 -183830.7517 -149787.3839 297.1642 -222.7763 -193.8020 557077.5058 -0.0712 -0.1129 PRESSURE: 2276800 -153.362 -17.0567 -32.9045 -17.0566 -325.579 -21.1097 -32.9061 -21.1092 152.97 GPRESSURE: 2276800 -174.219 -65.4498 -16.9884 12.0204 -246.535 -13.7996 -123.701 -30.3399 190.398 PRESSAVG: 2276800 -32.6471 7.81829 1.64051 7.81827 17.7756 19.2479 1.64046 19.2479 -19.2495 GPRESSAVG: 2276800 -32.0605 10.124 1.50316 5.96755 18.3171 18.6489 4.02572 17.1314 -19.6505 TIMING: 2276800 CPU: 6796.82, 0.00298421/step Wall: 6796.82, 0.00298421/step, 2.25739 hours remaining, 208.300781 MB of memory in use. ENERGY: 2276800 719.4738 2105.9419 1930.6718 107.9227 -206453.5892 17773.2149 0.0000 0.0000 33886.9692 -149929.3949 295.9433 -183816.3641 -149835.0674 297.6379 -108.6572 -76.7852 557534.6175 -11.3736 -11.1313 PRESSURE: 2277000 308.246 -111.482 96.2689 -111.48 184.231 31.4831 96.268 31.4831 121.155 GPRESSURE: 2277000 371.315 -74.3431 46.265 -101.905 133.865 7.55054 119.261 30.9451 212.045 PRESSAVG: 2277000 -67.3891 -64.3065 -10.2754 -64.3065 43.8887 -6.51324 -10.2754 -6.51334 13.9036 GPRESSAVG: 2277000 -67.3981 -65.1896 -9.87363 -64.4708 43.7321 -6.65161 -9.24222 -4.1307 13.8475 TIMING: 2277000 CPU: 6797.41, 0.00295643/step Wall: 6797.41, 0.00295643/step, 2.23621 hours remaining, 208.300781 MB of memory in use. ENERGY: 2277000 759.0381 2076.0015 1924.0819 104.6032 -206874.7422 18192.0827 0.0000 0.0000 33966.0729 -149852.8619 296.6342 -183818.9348 -149762.2018 297.4197 204.5442 239.0753 556306.6276 -3.1989 -3.2728 PRESSURE: 2277200 -159.101 -21.1353 -127.946 -21.1346 56.6151 -29.8763 -127.949 -29.8751 116.365 GPRESSURE: 2277200 -64.1492 -27.1373 -59.8923 21.3676 93.5211 -28.4856 -181.648 -24.4632 77.5265 PRESSAVG: 2277200 -55.2402 21.943 -28.3885 21.943 -11.7535 -16.9313 -28.3884 -16.9314 52.581 GPRESSAVG: 2277200 -56.3779 21.8556 -29.2666 23.7152 -11.0014 -16.844 -29.5277 -17.6536 52.9853 TIMING: 2277200 CPU: 6797.99, 0.00292459/step Wall: 6797.99, 0.00292459/step, 2.21197 hours remaining, 208.300781 MB of memory in use. ENERGY: 2277200 739.2790 2041.3079 1938.8704 121.4138 -206585.7908 17904.7228 0.0000 0.0000 34157.5858 -149682.6112 298.3067 -183840.1970 -149584.4395 298.6223 4.6263 35.6328 556283.6323 -4.8042 -4.7980 PRESSURE: 2277400 258.108 9.83035 45.1378 9.83084 68.5458 -50.8121 45.1381 -50.8107 -135.175 GPRESSURE: 2277400 251.478 -22.1189 -113.315 -30.4713 86.7445 -74.0896 110.499 -56.5426 -59.0053 PRESSAVG: 2277400 -27.5872 5.17115 -34.489 5.17111 29.983 -53.8376 -34.4889 -53.8376 11.4726 GPRESSAVG: 2277400 -27.8452 4.25848 -35.1322 3.89794 29.1383 -51.0039 -35.1231 -55.4793 12.6352 TIMING: 2277400 CPU: 6798.58, 0.00293895/step Wall: 6798.58, 0.00293895/step, 2.22266 hours remaining, 208.300781 MB of memory in use. ENERGY: 2277400 752.8691 2047.3183 1914.7690 107.1741 -206697.1843 17901.1438 0.0000 0.0000 34222.2009 -149751.7091 298.8710 -183973.9100 -149654.8273 298.1780 63.8263 93.0725 555282.1483 4.6228 4.6427 PRESSURE: 2277600 106.194 150.15 -193.215 150.15 -43.5727 7.45605 -193.215 7.45658 198.635 GPRESSURE: 2277600 187.4 168.575 -197.498 167.679 -72.1229 26.3088 -136.607 -36.5257 250.934 PRESSAVG: 2277600 -39.2309 29.094 -14.0816 29.094 50.7988 -25.0019 -14.0816 -25.0019 6.38342 GPRESSAVG: 2277600 -38.1268 30.8591 -14.5022 30.9806 51.5267 -28.2465 -13.4022 -23.6905 4.5711 TIMING: 2277600 CPU: 6799.17, 0.00295027/step Wall: 6799.17, 0.00295027/step, 2.23106 hours remaining, 208.300781 MB of memory in use. ENERGY: 2277600 763.0085 2081.4069 1908.5925 110.1919 -206480.2857 17894.0838 0.0000 0.0000 34159.1651 -149563.8371 298.3205 -183723.0023 -149471.4576 298.3252 87.0853 122.0704 557193.1803 5.9838 5.9903 PRESSURE: 2277800 -165.303 -136.262 29.9009 -136.263 26.6032 88.0475 29.9018 88.0456 -200.406 GPRESSURE: 2277800 -67.3957 -103.332 -21.4242 -168.624 16.4662 86.9897 7.41688 102.12 -188.447 PRESSAVG: 2277800 -7.75616 -2.98061 -61.6231 -2.98055 30.1053 15.9359 -61.6231 15.9359 8.88399 GPRESSAVG: 2277800 -9.2677 -3.96618 -61.145 -5.0973 30.1715 16.1308 -61.0748 15.8986 10.7574 TIMING: 2277800 CPU: 6799.76, 0.00292464/step Wall: 6799.76, 0.00292464/step, 2.21151 hours remaining, 208.300781 MB of memory in use. ENERGY: 2277800 761.7946 2050.8133 1929.7363 111.1663 -206292.4258 17784.4290 0.0000 0.0000 34125.1890 -149529.2973 298.0238 -183654.4863 -149429.7174 298.1245 -113.0355 -79.7922 557070.1940 10.4110 10.5537 PRESSURE: 2278000 -82.7222 64.9015 6.18953 64.9007 3.89479 27.2036 6.1882 27.2043 -476.04 GPRESSURE: 2278000 -23.4031 97.5987 71.3197 32.9933 -33.6061 22.6066 37.6343 -6.44291 -405.456 PRESSAVG: 2278000 26.2256 15.3884 34.962 15.3885 -9.06882 8.28478 34.9622 8.28472 -26.1939 GPRESSAVG: 2278000 27.5938 12.9138 35.1528 18.0609 -10.0407 10.9207 34.8349 6.91648 -26.1878 TIMING: 2278000 CPU: 6800.34, 0.00293059/step Wall: 6800.34, 0.00293059/step, 2.21585 hours remaining, 208.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2278000 714.8105 2035.0469 1916.8756 110.2119 -206007.1294 17492.9456 0.0000 0.0000 34067.6846 -149669.5543 297.5216 -183737.2389 -149562.3412 297.6979 -184.9557 -154.1552 557361.8472 -3.0124 -2.8782 PRESSURE: 2278200 -202.952 -9.63411 168.503 -9.63337 -148.551 -131.094 168.503 -131.094 -46.9399 GPRESSURE: 2278200 -173.617 -35.8539 177.772 -65.1036 -119.362 -50.0944 180.651 -164.889 -20.3561 PRESSAVG: 2278200 17.7318 -17.6743 -3.69043 -17.6744 -0.826281 -10.1726 -3.69044 -10.1726 -10.6272 GPRESSAVG: 2278200 16.2541 -13.6883 -2.63873 -20.8207 0.693146 -10.1886 -4.65005 -10.5334 -10.7546 TIMING: 2278200 CPU: 6800.93, 0.00294303/step Wall: 6800.93, 0.00294303/step, 2.2251 hours remaining, 208.300781 MB of memory in use. ENERGY: 2278200 727.2711 2078.6338 1922.1957 102.5764 -206052.8477 17502.7460 0.0000 0.0000 33968.9337 -149750.4909 296.6591 -183719.4246 -149657.6914 298.0672 -132.8144 -104.4450 557404.8560 2.0928 2.0642 PRESSURE: 2278400 166.467 -8.735 112.414 -8.73526 3.45183 -21.1556 112.413 -21.1549 -114.642 GPRESSURE: 2278400 153.761 -71.1624 47.2868 -33.9126 79.5557 49.2147 91.9443 -155.589 -83.0375 PRESSAVG: 2278400 31.3325 4.79203 38.691 4.79199 -40.5096 -18.1856 38.6911 -18.1856 9.90629 GPRESSAVG: 2278400 33.1227 2.67094 39.2443 6.90094 -40.8217 -19.9335 38.1211 -15.9152 7.85564 TIMING: 2278400 CPU: 6801.52, 0.00293463/step Wall: 6801.52, 0.00293463/step, 2.21858 hours remaining, 208.300781 MB of memory in use. ENERGY: 2278400 744.2345 2117.0055 1907.7848 117.2897 -206521.1595 17802.4214 0.0000 0.0000 34231.6414 -149600.7822 298.9534 -183832.4237 -149505.6567 298.2503 18.4255 50.0930 555995.9197 0.2430 0.0522 PRESSURE: 2278600 107.959 -124.281 -81.3914 -124.282 -49.4318 5.94506 -81.3917 5.94478 146.168 GPRESSURE: 2278600 164.391 -117.225 -32.9532 -75.7635 -15.1222 -71.9378 4.1985 72.3194 146.708 PRESSAVG: 2278600 42.6112 -36.3105 -58.3949 -36.3105 -43.2842 34.864 -58.3948 34.8641 23.7096 GPRESSAVG: 2278600 40.9033 -36.3186 -60.1945 -36.9888 -43.7559 35.0704 -55.6078 33.0326 26.025 TIMING: 2278600 CPU: 6802.11, 0.00295921/step Wall: 6802.11, 0.00295921/step, 2.237 hours remaining, 208.300781 MB of memory in use. ENERGY: 2278600 725.8801 2074.7151 1944.5308 112.6301 -206640.2348 18027.5378 0.0000 0.0000 34139.7846 -149615.1564 298.1512 -183754.9409 -149519.7088 298.1017 68.2318 98.6589 555712.7347 7.6788 7.7242 PRESSURE: 2278800 -188.852 103.806 -97.6322 103.806 6.5216 -274.134 -97.6327 -274.134 4.14266 GPRESSURE: 2278800 -117.841 141.93 -62.6911 97.8725 56.762 -243.651 -87.0997 -281.849 -23.6667 PRESSAVG: 2278800 -6.03216 4.38161 3.55002 4.3817 15.3172 -14.0888 3.54997 -14.0887 5.94145 GPRESSAVG: 2278800 -6.29813 4.85666 4.79065 5.01586 15.7307 -12.0442 1.74966 -14.2125 6.21378 TIMING: 2278800 CPU: 6802.7, 0.00296922/step Wall: 6802.7, 0.00296922/step, 2.2444 hours remaining, 208.300781 MB of memory in use. ENERGY: 2278800 755.5420 2135.1502 1923.3545 102.7965 -206654.9695 17819.0847 0.0000 0.0000 34155.5339 -149763.5075 298.2888 -183919.0415 -149670.3214 297.9778 -59.3959 -28.2487 556293.8572 5.0755 5.2155 PRESSURE: 2279000 -168.933 -19.8318 2.06967 -19.8326 -97.7316 44.8644 2.06921 44.8634 -117.374 GPRESSURE: 2279000 -172.995 -95.1815 54.7639 77.4864 -35.1085 50.5434 -19.6434 11.4776 -76.834 PRESSAVG: 2279000 -4.80251 44.2824 10.0449 44.2824 -33.5225 -42.8197 10.0448 -42.8196 8.00653 GPRESSAVG: 2279000 -4.26296 43.6395 9.65052 42.7017 -34.1085 -45.2319 7.26157 -42.1672 8.29862 TIMING: 2279000 CPU: 6803.29, 0.00294962/step Wall: 6803.29, 0.00294962/step, 2.22942 hours remaining, 208.300781 MB of memory in use. ENERGY: 2279000 753.4687 2095.6456 1947.3733 111.0608 -206895.2344 18024.5031 0.0000 0.0000 34149.5778 -149813.6050 298.2368 -183963.1828 -149719.9394 298.3895 -128.0129 -94.9790 557981.8089 -10.1062 -10.0243 PRESSURE: 2279200 51.9456 51.3023 -100.871 51.3032 119.294 -61.9667 -100.872 -61.9676 -122.368 GPRESSURE: 2279200 68.2166 -53.7179 -149.119 39.9257 181.086 -58.1735 -41.3298 -88.6644 -95.3218 PRESSAVG: 2279200 -83.3986 25.2548 46.141 25.2547 13.4348 -32.891 46.1408 -32.891 52.009 GPRESSAVG: 2279200 -83.6663 25.6511 43.3616 25.5404 12.5287 -33.2871 48.6492 -32.533 52.573 TIMING: 2279200 CPU: 6803.88, 0.00292317/step Wall: 6803.88, 0.00292317/step, 2.20927 hours remaining, 208.300781 MB of memory in use. ENERGY: 2279200 712.3779 2054.3789 1945.3363 117.5182 -206893.7974 18164.8868 0.0000 0.0000 34127.1991 -149772.1003 298.0413 -183899.2995 -149671.6644 297.9383 16.2906 51.3268 557315.1797 -5.9849 -6.1882 PRESSURE: 2279400 214.191 32.2673 35.0674 32.2672 254.555 -136.908 35.0664 -136.908 43.4141 GPRESSURE: 2279400 277.05 49.4306 29.5331 -13.3762 223.843 -160.899 142.437 -116.083 98.4455 PRESSAVG: 2279400 2.86808 8.49816 37.9594 8.49807 34.1658 -18.7678 37.9594 -18.7679 -11.7887 GPRESSAVG: 2279400 2.90095 6.87919 40.8389 10.5182 35.2255 -17.7793 38.7088 -19.5389 -12.944 TIMING: 2279400 CPU: 6804.46, 0.00291238/step Wall: 6804.46, 0.00291238/step, 2.20095 hours remaining, 208.300781 MB of memory in use. ENERGY: 2279400 730.5604 2033.7006 1943.9754 101.3237 -206645.8289 18053.2109 0.0000 0.0000 34240.4693 -149542.5886 299.0305 -183783.0579 -149444.5707 298.2964 170.7200 199.7795 556422.2522 8.4151 8.3941 PRESSURE: 2279600 39.0885 58.1161 47.998 58.1164 -43.262 144.707 47.9975 144.707 -107.075 GPRESSURE: 2279600 51.8863 -0.21829 107.212 19.4056 -45.7354 86.7977 13.81 189.447 -16.6721 PRESSAVG: 2279600 44.1405 -28.4383 52.731 -28.4382 -6.63324 17.8205 52.7311 17.8204 -42.256 GPRESSAVG: 2279600 44.8306 -26.8991 53.2103 -29.7005 -6.57918 18.3977 52.0131 16.8866 -42.8312 TIMING: 2279600 CPU: 6805.05, 0.00291791/step Wall: 6805.05, 0.00291791/step, 2.20497 hours remaining, 208.300781 MB of memory in use. ENERGY: 2279600 756.5263 2077.5944 1943.0986 107.5791 -206187.8782 17670.3539 0.0000 0.0000 34223.7145 -149409.0114 298.8842 -183632.7259 -149319.9976 297.8102 -37.0828 -3.5071 556561.0242 -1.5829 -1.5266 PRESSURE: 2279800 -113.069 12.2347 -182.752 12.2349 116.887 97.8077 -182.752 97.8071 7.02028 GPRESSURE: 2279800 -65.3577 -22.8895 -140.657 13.5409 121.536 65.9652 -214.673 108.243 49.7668 PRESSAVG: 2279800 77.3307 -1.19456 47.5226 -1.19458 -83.334 -17.275 47.5226 -17.275 38.5992 GPRESSAVG: 2279800 76.8003 -3.21969 45.7634 -0.717687 -83.9334 -18.5883 49.2409 -14.4569 39.6729 TIMING: 2279800 CPU: 6805.63, 0.00291552/step Wall: 6805.63, 0.00291552/step, 2.203 hours remaining, 208.363281 MB of memory in use. ENERGY: 2279800 763.4029 2020.2102 1934.3040 113.1399 -206243.5922 17778.7229 0.0000 0.0000 34101.6022 -149532.2100 297.8178 -183633.8122 -149434.2823 298.7629 3.6126 35.3150 557014.4584 10.8653 10.8466 PRESSURE: 2280000 -115.466 42.6996 48.4548 42.7008 -250.229 129.823 48.4547 129.824 48.67 GPRESSURE: 2280000 -98.2705 72.7216 -67.3921 8.50156 -196.38 61.6297 118.322 127.191 66.032 PRESSAVG: 2280000 -37.5355 -16.6308 10.5393 -16.6307 -31.0439 16.4186 10.5393 16.4186 -29.4423 GPRESSAVG: 2280000 -37.9092 -15.9941 10.9725 -18.0657 -29.8011 16.9664 6.75724 15.0309 -30.1608 TIMING: 2280000 CPU: 6806.21, 0.00292133/step Wall: 6806.21, 0.00292133/step, 2.20723 hours remaining, 208.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2280000 697.0427 2111.4591 1927.6294 115.7268 -205881.4371 17482.7647 0.0000 0.0000 33998.5530 -149548.2614 296.9178 -183546.8144 -149453.6532 297.7846 -105.6750 -76.2062 558450.4033 -32.6739 -32.6237 PRESSURE: 2280200 56.2601 86.9393 -122.23 86.9393 -64.4351 7.4767 -122.229 7.47547 94.774 GPRESSURE: 2280200 76.1977 83.2325 -60.6488 63.7288 -15.366 -51.1085 -140.45 31.34 124.147 PRESSAVG: 2280200 40.8144 22.1134 18.8782 22.1133 -1.21506 39.8655 18.8783 39.8655 -24.6875 GPRESSAVG: 2280200 42.3917 23.8558 18.7376 23.0254 -1.75695 38.4904 20.6371 40.9741 -25.7609 TIMING: 2280200 CPU: 6806.8, 0.00293703/step Wall: 6806.8, 0.00293703/step, 2.21892 hours remaining, 208.363281 MB of memory in use. ENERGY: 2280200 716.4602 2104.1774 1925.3441 115.6364 -206385.4735 17887.4241 0.0000 0.0000 34152.9493 -149483.4820 298.2662 -183636.4313 -149384.9716 298.4901 28.8664 61.6594 558049.9333 4.9706 4.9580 LDB: ============= START OF LOAD BALANCING ============== 6810.34 LDB: ============== END OF LOAD BALANCING =============== 6810.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6810.35 LDB: ============= START OF LOAD BALANCING ============== 6810.64 LDB: Largest compute 4773 load 0.031060 is 26.3% of average load 0.118239 LDB: Average compute 0.001720 is 1.5% of average load 0.118239 LDB: TIME 6810.64 LOAD: AVG 0.118239 MAX 0.199475 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 6810.64 LOAD: AVG 0.118239 MAX 0.199475 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 6810.64 LOAD: AVG 0.118239 MAX 0.199475 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: ============== END OF LOAD BALANCING =============== 6810.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6810.65 PRESSURE: 2280400 34.6997 -13.871 -22.7992 -13.8711 4.19642 -47.0203 -22.7986 -47.0211 151.678 GPRESSURE: 2280400 79.3256 41.8841 -66.2644 -23.7417 83.7032 -13.8617 -9.58201 -65.6045 129.871 PRESSAVG: 2280400 -13.1409 9.69408 -5.20084 9.69411 36.1006 23.1487 -5.20087 23.1487 22.0326 GPRESSAVG: 2280400 -13.9767 8.90584 -5.76425 10.8799 36.4285 23.6322 -3.1654 21.0172 22.8611 TIMING: 2280400 CPU: 6807.4, 0.00299846/step Wall: 6807.4, 0.00299846/step, 2.26517 hours remaining, 207.226562 MB of memory in use. ENERGY: 2280400 748.2518 2105.7210 1893.1138 118.1728 -206332.9490 17931.8126 0.0000 0.0000 34174.7984 -149361.0785 298.4570 -183535.8768 -149267.8670 298.8078 63.5248 97.6333 556510.7721 14.9974 15.1043 PRESSURE: 2280600 78.1373 85.6181 138.471 85.6179 232.748 -204.606 138.471 -204.605 275.34 GPRESSURE: 2280600 100.044 30.3173 122.788 17.0065 291.512 -224.852 75.3902 -199.27 292.521 PRESSAVG: 2280600 10.8931 -31.2267 2.48658 -31.2267 -8.78628 -35.4108 2.48662 -35.4107 41.8314 GPRESSAVG: 2280600 9.98555 -30.1819 4.19954 -32.6566 -8.37391 -35.2005 -0.52499 -34.4747 42.53 TIMING: 2280600 CPU: 6807.99, 0.00294721/step Wall: 6807.99, 0.00294721/step, 2.22629 hours remaining, 207.429688 MB of memory in use. ENERGY: 2280600 749.3275 2066.5966 1938.3555 126.2372 -206387.9009 18072.0334 0.0000 0.0000 34100.7744 -149334.5764 297.8105 -183435.3508 -149235.1767 298.5392 195.4084 228.0258 556359.5376 14.6461 14.7139 PRESSURE: 2280800 149.869 115.179 -112.054 115.179 -244.489 -93.6887 -112.053 -93.687 -302.305 GPRESSURE: 2280800 121.489 68.9358 -32.9009 143.239 -219.177 -32.1541 -97.0993 -176.957 -214.764 PRESSAVG: 2280800 -3.71284 31.523 -7.24657 31.523 4.43358 -20.3687 -7.24661 -20.3686 -15.2338 GPRESSAVG: 2280800 -3.47033 30.6871 -6.73532 31.7179 5.00797 -19.9099 -5.25274 -21.4327 -16.2146 TIMING: 2280800 CPU: 6808.58, 0.00294313/step Wall: 6808.58, 0.00294313/step, 2.22304 hours remaining, 207.429688 MB of memory in use. ENERGY: 2280800 748.2761 2097.2264 1917.9423 124.6445 -206198.9005 17659.5836 0.0000 0.0000 34312.9747 -149338.2530 299.6637 -183651.2276 -149243.4307 298.8850 -132.3083 -104.1504 558592.1620 -4.8377 -4.8923 PRESSURE: 2281000 -197.699 29.9518 -38.8776 29.9516 -147.03 -190.742 -38.8786 -190.742 70.8145 GPRESSURE: 2281000 -195.639 44.4269 -92.3834 84.2906 -69.447 -188.856 -20.018 -165.295 91.7596 PRESSAVG: 2281000 -24.6396 7.19498 65.752 7.19485 45.9339 12.4871 65.752 12.4872 -4.78319 GPRESSAVG: 2281000 -24.1506 7.11616 65.3237 8.01109 45.0944 10.0233 67.2076 15.0939 -4.20319 TIMING: 2281000 CPU: 6809.18, 0.00298988/step Wall: 6809.18, 0.00298988/step, 2.25819 hours remaining, 207.429688 MB of memory in use. ENERGY: 2281000 758.3983 2122.5000 1952.1771 121.3288 -206362.8830 17832.3831 0.0000 0.0000 34235.3131 -149340.7826 298.9855 -183576.0957 -149246.5062 298.6614 -91.3047 -57.7756 559078.4328 5.5037 5.5802 PRESSURE: 2281200 -75.2374 61.0705 -91.1728 61.0697 283.241 37.5219 -91.172 37.521 38.9848 GPRESSURE: 2281200 -51.2012 79.0576 -37.6254 83.8804 354.609 -4.94672 -142.447 24.4247 33.964 PRESSAVG: 2281200 -25.6492 -20.1036 -1.96569 -20.1035 15.3252 -23.6041 -1.96566 -23.604 48.0123 GPRESSAVG: 2281200 -24.8735 -18.216 0.490611 -21.1208 15.0052 -20.7753 -4.60147 -26.471 47.5313 TIMING: 2281200 CPU: 6809.77, 0.00297647/step Wall: 6809.77, 0.00297647/step, 2.2479 hours remaining, 207.429688 MB of memory in use. ENERGY: 2281200 746.0648 2098.0543 1920.6194 116.6296 -206069.0236 17862.1710 0.0000 0.0000 34161.9257 -149163.5589 298.3446 -183325.4845 -149064.1036 299.3663 82.3296 112.4574 557820.7903 12.5628 12.5543 PRESSURE: 2281400 -64.559 66.618 4.51162 66.6167 20.1654 7.79127 4.5121 7.79407 110.884 GPRESSURE: 2281400 46.8188 65.6526 42.6505 84.081 16.4495 2.73295 11.6432 -5.17041 104.057 PRESSAVG: 2281400 -11.0289 32.4442 -60.6875 32.4442 -18.8462 30.3467 -60.6874 30.3467 32.428 GPRESSAVG: 2281400 -11.6646 30.2145 -64.6118 31.762 -19.1188 26.1849 -59.1948 33.5337 33.458 TIMING: 2281400 CPU: 6810.36, 0.00294933/step Wall: 6810.36, 0.00294933/step, 2.22723 hours remaining, 207.429688 MB of memory in use. ENERGY: 2281400 719.6692 2104.0092 1943.8788 102.3294 -205990.1558 17810.4110 0.0000 0.0000 34309.6018 -149000.2565 299.6343 -183309.8583 -148902.7826 299.6276 22.1634 55.7750 557758.2392 0.8509 0.8915 PRESSURE: 2281600 -76.5985 22.7239 -210.64 22.7245 150.704 7.42713 -210.64 7.42812 161.226 GPRESSURE: 2281600 -35.4278 24.4973 -202.732 90.1932 138.093 39.1494 -88.4188 -49.1937 214.94 PRESSAVG: 2281600 17.0959 59.0645 -3.31683 59.0646 52.745 -55.2862 -3.31689 -55.2862 -48.5772 GPRESSAVG: 2281600 16.4137 60.3933 -3.38241 59.8594 52.8294 -50.716 -2.92425 -57.8299 -48.1741 TIMING: 2281600 CPU: 6810.95, 0.00294025/step Wall: 6810.95, 0.00294025/step, 2.22022 hours remaining, 207.429688 MB of memory in use. ENERGY: 2281600 722.2556 2065.1415 1938.7912 113.9135 -206426.2723 17953.1806 0.0000 0.0000 34584.4818 -149048.5081 302.0349 -183632.9900 -148951.5203 300.3494 78.4439 105.8682 557399.2484 7.0879 7.0230 PRESSURE: 2281800 13.6165 44.3036 -70.0432 44.3022 36.6991 19.5191 -70.0432 19.5179 194.508 GPRESSURE: 2281800 105.123 64.4633 -6.12102 103.675 21.3357 -18.4926 -74.4581 37.4621 220.323 PRESSAVG: 2281800 -59.0648 -18.5103 -42.8238 -18.5103 30.1542 -24.2737 -42.8238 -24.2738 -29.1365 GPRESSAVG: 2281800 -58.4054 -19.6152 -40.612 -20.4009 29.8001 -26.9814 -44.3051 -22.8969 -30.4103 TIMING: 2281800 CPU: 6811.54, 0.00293143/step Wall: 6811.54, 0.00293143/step, 2.21339 hours remaining, 207.429688 MB of memory in use. ENERGY: 2281800 775.1853 2080.7300 1947.4056 116.2914 -206137.5471 17878.6933 0.0000 0.0000 34350.5047 -148988.7367 299.9915 -183339.2414 -148886.9602 300.1191 81.6079 115.5937 555557.6680 -19.3490 -19.6719 PRESSURE: 2282000 -324.844 -44.6056 79.4746 -44.6058 -286.088 -32.4455 79.4761 -32.4443 -268.958 GPRESSURE: 2282000 -271.046 -6.18629 -26.0359 -87.8486 -227.343 -131.069 48.0752 15.5006 -285.254 PRESSAVG: 2282000 -24.4675 -6.37307 -31.8288 -6.3731 12.1297 28.9724 -31.8287 28.9724 47.8933 GPRESSAVG: 2282000 -24.7954 -4.01235 -33.6465 -4.40154 13.073 27.9963 -29.4942 28.8674 47.2168 TIMING: 2282000 CPU: 6812.13, 0.00294888/step Wall: 6812.13, 0.00294888/step, 2.2264 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2282000 740.9754 2061.3062 1938.1035 125.6440 -205511.7618 17417.2900 0.0000 0.0000 34209.1983 -149019.2444 298.7574 -183228.4427 -148923.3140 299.2362 -293.2965 -261.2143 559023.6228 11.8518 11.8315 PRESSURE: 2282200 -48.1421 104.867 27.578 104.867 -60.0098 21.5368 27.5772 21.5367 -118.738 GPRESSURE: 2282200 -5.20407 86.7093 77.8215 122.716 -73.6377 -5.80021 156.273 65.0461 -44.9076 PRESSAVG: 2282200 -26.6484 -46.2065 -1.0359 -46.2065 -2.0463 15.6967 -1.03583 15.6967 38.467 GPRESSAVG: 2282200 -25.8641 -48.3832 0.811929 -47.6802 -3.03933 17.4286 -1.15376 15.6759 39.1349 TIMING: 2282200 CPU: 6812.71, 0.00294721/step Wall: 6812.71, 0.00294721/step, 2.22498 hours remaining, 207.429688 MB of memory in use. ENERGY: 2282200 763.8777 2156.3350 1929.3561 106.6790 -206140.7861 17828.5474 0.0000 0.0000 34328.3984 -149027.5925 299.7984 -183355.9909 -148933.8021 299.9716 -75.6300 -41.2498 558556.1275 3.2574 3.4105 PRESSURE: 2282400 -176.491 72.3323 18.1624 72.3317 -62.5978 8.97303 18.1622 8.97229 65.915 GPRESSURE: 2282400 -128.277 76.9749 23.5477 -52.959 -40.5873 -29.2079 -38.1206 12.382 89.7894 PRESSAVG: 2282400 4.23424 -8.07557 16.8952 -8.0757 12.5121 -14.7697 16.8952 -14.7697 16.5403 GPRESSAVG: 2282400 4.93627 -8.92102 16.0303 -8.2269 13.5464 -14.4029 15.316 -15.2331 15.4546 TIMING: 2282400 CPU: 6813.31, 0.00295814/step Wall: 6813.31, 0.00295814/step, 2.23306 hours remaining, 207.429688 MB of memory in use. ENERGY: 2282400 777.8747 2089.6408 1946.3901 119.7528 -206105.9646 17862.7510 0.0000 0.0000 34439.7035 -148869.8518 300.7705 -183309.5553 -148774.4640 300.2087 -57.7245 -26.3584 558771.9507 11.0955 11.3124 PRESSURE: 2282600 182.506 -70.8307 -18.0158 -70.832 79.828 36.6242 -18.0153 36.6239 -29.0168 GPRESSURE: 2282600 250.958 -43.3877 46.3357 -144.16 82.6342 28.8526 -78.6315 55.0794 -1.24033 PRESSAVG: 2282600 -80.4236 3.6167 18.4498 3.6167 42.0311 10.5069 18.4498 10.5068 -21.8124 GPRESSAVG: 2282600 -81.4877 3.25182 18.4469 6.11951 42.6684 10.2295 18.6026 11.2327 -21.6748 TIMING: 2282600 CPU: 6813.9, 0.00296149/step Wall: 6813.9, 0.00296149/step, 2.23543 hours remaining, 207.429688 MB of memory in use. ENERGY: 2282600 727.0475 2025.6086 1927.6392 114.9710 -206126.9986 17829.0767 0.0000 0.0000 34395.0505 -149107.6050 300.3805 -183502.6555 -149010.5867 300.0213 77.7723 110.7841 559440.8284 -20.0683 -20.1647 PRESSURE: 2282800 -34.3204 -103.332 109.24 -103.333 4.84745 -56.9608 109.24 -56.9609 233.176 GPRESSURE: 2282800 16.3816 -120.77 27.3529 -133.802 35.2264 -31.1287 127.049 -6.10966 257.87 PRESSAVG: 2282800 -39.3984 18.5858 0.0505344 18.5858 40.6268 -28.1512 0.0505062 -28.1512 23.7568 GPRESSAVG: 2282800 -39.6972 19.4139 -1.08842 17.03 38.6495 -28.9435 1.52374 -28.956 25.9329 TIMING: 2282800 CPU: 6814.5, 0.00298257/step Wall: 6814.5, 0.00298257/step, 2.25117 hours remaining, 207.429688 MB of memory in use. ENERGY: 2282800 704.4834 2053.8044 1948.4010 125.9527 -206226.0016 17946.0550 0.0000 0.0000 34234.4740 -149212.8311 298.9782 -183447.3050 -149121.5733 299.6273 67.9012 103.1594 557414.2507 8.3284 8.2951 PRESSURE: 2283000 -57.2591 -121.69 -19.3626 -121.691 -18.978 -54.3487 -19.3612 -54.3505 118.044 GPRESSURE: 2283000 6.06225 -62.7074 14.4524 -88.5456 -7.45713 -46.9344 -69.7513 -113.776 140.088 PRESSAVG: 2283000 -0.0738428 2.80362 -19.5994 2.80361 43.7122 -14.4211 -19.5994 -14.421 -17.2327 GPRESSAVG: 2283000 0.869215 4.18659 -20.4564 2.90715 44.8407 -11.1831 -19.4318 -15.3511 -18.8507 TIMING: 2283000 CPU: 6815.09, 0.00295855/step Wall: 6815.09, 0.00295855/step, 2.23288 hours remaining, 207.429688 MB of memory in use. ENERGY: 2283000 730.7553 2031.3939 1943.1064 104.9690 -206020.5606 17757.2588 0.0000 0.0000 34186.1965 -149266.8807 298.5566 -183453.0771 -149176.4929 298.5517 13.9357 46.2309 558130.0362 8.8019 8.9531 PRESSURE: 2283200 -20.9039 -238.386 -52.8464 -238.386 1.97588 -43.0182 -52.8468 -43.0197 -195.597 GPRESSURE: 2283200 -37.4794 -276.171 -88.0011 -183.661 33.8551 36.7558 -2.6493 -46.7162 -114.01 PRESSAVG: 2283200 -87.8507 -61.3689 -41.2788 -61.3689 56.5799 10.2008 -41.2788 10.2008 0.0327808 GPRESSAVG: 2283200 -87.9339 -61.8216 -38.7314 -60.8316 56.8101 6.7626 -43.9138 11.9219 -0.464295 TIMING: 2283200 CPU: 6815.69, 0.00299435/step Wall: 6815.69, 0.00299435/step, 2.25974 hours remaining, 207.429688 MB of memory in use. ENERGY: 2283200 739.0387 2074.8901 1925.2128 109.2519 -205896.7916 17692.2066 0.0000 0.0000 34217.4787 -149138.7127 298.8298 -183356.1914 -149047.0496 299.0998 -71.5085 -39.2116 557823.7884 -10.4127 -10.5294 PRESSURE: 2283400 -441.077 -64.4962 -83.3977 -64.496 -80.3413 -8.60201 -83.3953 -8.60258 -70.0491 GPRESSURE: 2283400 -336.743 -48.1596 -6.51237 -83.0619 -61.5312 116.195 -160.529 -63.0109 -101.073 PRESSAVG: 2283400 16.0621 -59.999 11.9842 -59.999 24.0095 70.8879 11.9842 70.8878 -29.1658 GPRESSAVG: 2283400 17.1807 -60.5738 13.508 -59.0102 23.4051 74.2429 13.0028 68.108 -29.3211 TIMING: 2283400 CPU: 6816.28, 0.00297326/step Wall: 6816.28, 0.00297326/step, 2.24365 hours remaining, 207.429688 MB of memory in use. ENERGY: 2283400 748.4313 2087.0795 1935.4765 121.8374 -206144.6088 17627.4500 0.0000 0.0000 34360.9993 -149263.3347 300.0832 -183624.3339 -149171.4084 298.8774 -197.1558 -166.4489 558212.2683 3.6353 3.7549 PRESSURE: 2283600 324.565 61.5914 215.975 61.5913 -160.776 18.6474 215.974 18.6469 159.861 GPRESSURE: 2283600 339.294 31.4238 226.77 40.7557 -144.544 59.506 215.921 28.6571 226.935 PRESSAVG: 2283600 42.482 6.24858 21.3202 6.24859 -45.9654 39.5704 21.3203 39.5704 -19.3478 GPRESSAVG: 2283600 40.9821 6.36167 21.3827 5.54565 -44.2114 37.4587 21.1902 40.421 -19.8104 TIMING: 2283600 CPU: 6816.87, 0.00296775/step Wall: 6816.87, 0.00296775/step, 2.23934 hours remaining, 207.429688 MB of memory in use. ENERGY: 2283600 749.2734 2021.4149 1933.5444 103.1381 -206415.1466 18182.1784 0.0000 0.0000 34186.6735 -149238.9237 298.5607 -183425.5973 -149145.6885 298.8453 107.8834 140.5619 558746.4938 -7.6104 -7.6799 PRESSURE: 2283800 -80.2992 88.0612 47.2173 88.0626 -99.9013 72.7889 47.2155 72.7896 -38.2878 GPRESSURE: 2283800 -47.4313 144.253 -15.7956 -32.3476 -101.6 141.182 41.9882 94.7803 21.0638 PRESSAVG: 2283800 32.2171 5.28501 -34.3142 5.28505 -39.2253 33.9926 -34.3143 33.9926 5.92119 GPRESSAVG: 2283800 31.3917 6.03966 -37.0669 5.22801 -40.4705 32.3509 -34.4862 35.4251 7.01206 TIMING: 2283800 CPU: 6817.47, 0.00296402/step Wall: 6817.47, 0.00296402/step, 2.23635 hours remaining, 207.429688 MB of memory in use. ENERGY: 2283800 737.1084 2003.3861 1961.3027 113.5255 -206025.3826 17732.9088 0.0000 0.0000 34383.2619 -149093.8891 300.2776 -183477.1510 -149000.3899 299.5187 -72.8294 -42.6559 558061.0652 -0.3624 -0.6889 PRESSURE: 2284000 118.311 -75.3984 85.5143 -75.3993 -152.019 17.6297 85.5133 17.6306 8.57811 GPRESSURE: 2284000 170.438 -110.687 144.344 -59.5153 -132.098 -9.82924 160.539 67.0848 31.3086 PRESSAVG: 2284000 -9.09142 17.8491 -24.2093 17.8491 -19.6733 25.0624 -24.2093 25.0624 -40.8512 GPRESSAVG: 2284000 -8.07344 16.2029 -23.1906 19.8792 -20.7556 27.1107 -22.5319 22.4724 -40.4806 TIMING: 2284000 CPU: 6818.06, 0.00298294/step Wall: 6818.06, 0.00298294/step, 2.25046 hours remaining, 207.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2284000 739.9180 2023.0037 1932.7201 105.3659 -206397.3744 17960.6507 0.0000 0.0000 34525.5632 -149110.1527 301.5203 -183635.7159 -149009.6559 299.7600 -8.3764 23.2160 557889.5681 -23.2053 -23.1032 PRESSURE: 2284200 150.067 -108.388 46.9258 -108.387 -119.997 -36.5626 46.9247 -36.5643 -84.0631 GPRESSURE: 2284200 150.144 -49.8417 19.1411 -168.901 -60.6454 5.72452 28.1289 -33.3282 -52.167 PRESSAVG: 2284200 1.10563 -35.6706 -49.979 -35.6706 25.405 28.6055 -49.979 28.6055 6.99513 GPRESSAVG: 2284200 0.409202 -35.8756 -47.6242 -40.4892 25.4237 27.5374 -51.9435 31.218 7.28008 TIMING: 2284200 CPU: 6818.66, 0.0029772/step Wall: 6818.66, 0.0029772/step, 2.24597 hours remaining, 207.496094 MB of memory in use. ENERGY: 2284200 749.0131 2100.1885 1920.2441 110.1585 -205629.6891 17585.1242 0.0000 0.0000 34244.7527 -148920.2079 299.0679 -183164.9606 -148826.6812 299.7807 -17.9977 12.4440 558712.8485 11.1686 11.0376 LDB: ============= START OF LOAD BALANCING ============== 6822.21 LDB: ============== END OF LOAD BALANCING =============== 6822.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6822.21 LDB: ============= START OF LOAD BALANCING ============== 6822.5 LDB: Largest compute 4773 load 0.030126 is 25.5% of average load 0.118188 LDB: Average compute 0.001719 is 1.5% of average load 0.118188 LDB: TIME 6822.5 LOAD: AVG 0.118188 MAX 0.200859 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 6822.51 LOAD: AVG 0.118188 MAX 0.200859 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 6822.51 LOAD: AVG 0.118188 MAX 0.200859 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: ============== END OF LOAD BALANCING =============== 6822.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6822.51 PRESSURE: 2284400 200.737 -26.7003 -136.071 -26.7004 181.132 -34.6231 -136.071 -34.6239 161.23 GPRESSURE: 2284400 233.481 -85.375 -160.996 34.2509 214.892 -36.2855 -139.733 -36.5147 188.881 PRESSAVG: 2284400 -14.4558 -57.921 -77.2352 -57.921 -28.0146 -46.1109 -77.2352 -46.111 -7.51621 GPRESSAVG: 2284400 -15.1498 -57.1453 -78.4222 -56.9007 -27.054 -47.6432 -77.4507 -47.1409 -8.30131 TIMING: 2284400 CPU: 6819.26, 0.00301217/step Wall: 6819.26, 0.00301217/step, 2.27218 hours remaining, 207.738281 MB of memory in use. ENERGY: 2284400 745.9686 2033.6808 1925.7610 129.5577 -206361.5073 18225.1898 0.0000 0.0000 34179.1519 -149122.1975 298.4950 -183301.3493 -149019.1438 299.4176 181.0332 212.4178 557269.3356 -16.6622 -16.8350 PRESSURE: 2284600 -200.425 -70.72 -22.0719 -70.7199 267.57 -80.5845 -22.0712 -80.5838 123.175 GPRESSURE: 2284600 -134.235 -78.6491 -27.8268 4.38992 291.876 -64.1406 23.3708 -62.0175 117.482 PRESSAVG: 2284600 16.4049 11.4201 -4.01109 11.4202 -4.2149 -47.7344 -4.01116 -47.7343 -40.2502 GPRESSAVG: 2284600 16.9069 9.90163 -3.86312 13.0282 -4.14745 -46.4959 -3.07529 -46.5739 -40.4799 TIMING: 2284600 CPU: 6819.86, 0.00297325/step Wall: 6819.86, 0.00297325/step, 2.24265 hours remaining, 207.937500 MB of memory in use. ENERGY: 2284600 738.2015 2105.1005 1904.1631 112.6680 -206062.2995 17879.3880 0.0000 0.0000 34161.6404 -149161.1380 298.3421 -183322.7784 -149068.3620 299.0632 63.4400 91.7078 558661.3802 -9.3534 -9.2401 PRESSURE: 2284800 -357.947 -6.25228 80.8689 -6.25225 108.763 -102.558 80.8706 -102.557 -64.878 GPRESSURE: 2284800 -232.505 9.63616 17.0564 28.0652 104.146 -184.337 136.359 -77.6645 -87.9496 PRESSAVG: 2284800 -52.1998 27.7019 32.8678 27.7019 40.9922 -10.4637 32.8678 -10.4637 -27.9801 GPRESSAVG: 2284800 -50.062 28.1147 29.6864 24.5565 40.4621 -11.7381 33.9904 -9.8819 -29.0944 TIMING: 2284800 CPU: 6820.45, 0.00294994/step Wall: 6820.45, 0.00294994/step, 2.22491 hours remaining, 207.937500 MB of memory in use. ENERGY: 2284800 739.5612 2050.0166 1940.6326 101.8609 -205902.6473 17645.6826 0.0000 0.0000 34301.9302 -149122.9631 299.5673 -183424.8933 -149016.7401 299.1083 -104.6874 -72.1029 559113.4397 -13.0626 -12.8981 PRESSURE: 2285000 38.3454 66.8387 65.6191 66.8389 -10.0036 -178.939 65.6191 -178.938 -20.8492 GPRESSURE: 2285000 75.3182 89.5623 124.784 5.31754 -14.8297 -245.694 46.9986 -207.271 45.0054 PRESSAVG: 2285000 -16.7117 28.8847 -13.8811 28.8846 59.767 8.97419 -13.8812 8.97411 -24.7974 GPRESSAVG: 2285000 -18.1519 27.3868 -9.61215 31.0383 60.8657 11.5392 -15.082 9.12692 -24.1491 TIMING: 2285000 CPU: 6821.04, 0.00294855/step Wall: 6821.04, 0.00294855/step, 2.2237 hours remaining, 207.937500 MB of memory in use. ENERGY: 2285000 695.4965 2115.1381 1935.9392 112.3299 -206099.4723 17731.2641 0.0000 0.0000 34500.7679 -149008.5366 301.3038 -183509.3045 -148916.3495 299.7256 2.4975 35.1647 558451.4596 6.0860 6.1883 PRESSURE: 2285200 -43.1363 -47.9806 174.635 -47.9805 50.5089 -71.4049 174.635 -71.4055 -57.0977 GPRESSURE: 2285200 14.8126 -41.2215 185.198 -33.1613 111.429 -107.233 101.281 9.52244 -92.6773 PRESSAVG: 2285200 4.73691 55.3428 9.75244 55.3429 28.4597 -18.7319 9.75244 -18.7319 -23.9982 GPRESSAVG: 2285200 5.38677 56.3961 8.29316 54.7054 27.6549 -21.1503 8.96763 -19.3 -24.3889 TIMING: 2285200 CPU: 6821.63, 0.00296176/step Wall: 6821.63, 0.00296176/step, 2.23349 hours remaining, 207.937500 MB of memory in use. ENERGY: 2285200 741.9253 2086.3910 1937.4180 106.6710 -206299.4625 18044.2297 0.0000 0.0000 34377.9563 -149004.8713 300.2312 -183382.8276 -148914.7277 299.9331 -16.5750 11.1879 559339.5532 3.0661 2.8843 PRESSURE: 2285400 -266.735 -58.6296 -3.52275 -58.6303 -143.231 -186.278 -3.52164 -186.28 -15.9102 GPRESSURE: 2285400 -236.706 -56.5559 18.9175 -3.04877 -126.009 -159.177 -9.84398 -200.869 40.4189 PRESSAVG: 2285400 -46.3916 19.7372 -6.64883 19.7372 61.1003 -47.1362 -6.64881 -47.136 16.5552 GPRESSAVG: 2285400 -46.5594 19.6406 -6.01674 20.6243 60.5432 -45.1621 -5.57973 -48.6986 17.3162 TIMING: 2285400 CPU: 6822.22, 0.00294198/step Wall: 6822.22, 0.00294198/step, 2.21842 hours remaining, 207.937500 MB of memory in use. ENERGY: 2285400 788.9163 2084.8663 1927.6194 114.2987 -205708.2164 17560.1890 0.0000 0.0000 34132.9064 -149099.4203 298.0912 -183232.3267 -149007.3396 299.9261 -141.9585 -107.4321 558354.0441 10.4213 10.4334 PRESSURE: 2285600 84.7557 102.61 -201.477 102.608 -7.44302 -40.6128 -201.476 -40.6139 -70.5689 GPRESSURE: 2285600 120.219 78.1656 -136.839 43.9893 4.34781 -13.0298 -169.107 -52.6504 -10.2803 PRESSAVG: 2285600 -3.90578 -32.4597 -7.87259 -32.4596 40.7322 -73.6236 -7.87258 -73.6236 -21.7251 GPRESSAVG: 2285600 -4.76637 -31.7645 -8.62692 -33.55 42.127 -76.1787 -8.3454 -71.2153 -22.163 TIMING: 2285600 CPU: 6822.81, 0.00295544/step Wall: 6822.81, 0.00295544/step, 2.2284 hours remaining, 207.937500 MB of memory in use. ENERGY: 2285600 762.8358 2043.9502 1939.8183 106.1624 -206077.1444 17725.6974 0.0000 0.0000 34361.7674 -149136.9129 300.0899 -183498.6803 -149041.6445 299.1615 2.2479 38.0954 556754.2034 5.0338 5.0659 PRESSURE: 2285800 -185.984 122.025 12.029 122.024 103.06 -129.583 12.0284 -129.583 110 GPRESSURE: 2285800 -174.729 102.653 63.8039 107.653 140.239 -135.918 -69.0394 -179.462 171.772 PRESSAVG: 2285800 72.3156 39.8238 14.3563 39.8239 -50.623 -19.0628 14.3563 -19.0629 -4.59335 GPRESSAVG: 2285800 73.2031 40.1435 14.3931 39.0468 -51.9281 -18.2906 13.2808 -19.0495 -4.52529 TIMING: 2285800 CPU: 6823.4, 0.00295664/step Wall: 6823.4, 0.00295664/step, 2.22915 hours remaining, 207.937500 MB of memory in use. ENERGY: 2285800 751.3436 2138.9435 1942.1659 120.4764 -205963.5769 17732.4377 0.0000 0.0000 34205.6628 -149072.5470 298.7266 -183278.2098 -148975.4372 299.4620 9.0251 45.7608 557018.2002 5.6998 5.5833 PRESSURE: 2286000 97.4058 -120.553 32.3986 -120.555 115.152 -71.7029 32.3988 -71.7036 209.37 GPRESSURE: 2286000 120.369 -62.1248 -40.1724 -45.3732 164.167 -147.286 62.7082 -40.5707 236.101 PRESSAVG: 2286000 -21.4323 19.9495 -3.15951 19.9495 4.48598 -10.1674 -3.15953 -10.1673 39.2558 GPRESSAVG: 2286000 -22.6662 20.9123 -3.30167 20.2139 5.65881 -11.2915 -1.4133 -9.55376 38.8873 TIMING: 2286000 CPU: 6823.99, 0.00297001/step Wall: 6823.99, 0.00297001/step, 2.23906 hours remaining, 207.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2286000 748.4841 2119.8108 1948.9469 119.5167 -206415.6476 18004.7593 0.0000 0.0000 34579.4918 -148894.6380 301.9913 -183474.1298 -148801.0193 300.1681 140.6428 173.5458 557020.7892 7.4365 7.2933 PRESSURE: 2286200 46.5989 -44.2556 -71.0175 -44.2553 -73.7183 68.1622 -71.0183 68.1611 73.1896 GPRESSURE: 2286200 71.2363 6.7937 -96.6901 -112.641 -20.182 7.68306 -16.4936 90.9462 97.7933 PRESSAVG: 2286200 -31.7105 48.5048 50.572 48.5048 -25.6026 -15.6148 50.5721 -15.6147 21.9319 GPRESSAVG: 2286200 -30.9472 48.0329 50.9951 47.8382 -25.969 -14.0962 48.364 -18.6564 22.2483 TIMING: 2286200 CPU: 6824.58, 0.00294919/step Wall: 6824.58, 0.00294919/step, 2.2232 hours remaining, 207.937500 MB of memory in use. ENERGY: 2286200 722.5488 2091.9036 1965.7579 120.2243 -205988.2060 17724.9159 0.0000 0.0000 34382.4262 -148980.4291 300.2703 -183362.8554 -148881.0836 300.3501 15.3568 49.6158 558074.0552 -11.7937 -11.5560 PRESSURE: 2286400 -179.452 -15.2126 -22.572 -15.2124 -245.169 165.046 -22.5732 165.047 -398.374 GPRESSURE: 2286400 -178.845 -9.46953 16.2114 -48.8137 -203.455 139.913 -71.4121 160.39 -331.601 PRESSAVG: 2286400 -24.4288 -5.90682 33.5704 -5.90683 -30.9085 -15.7829 33.5705 -15.7829 34.4702 GPRESSAVG: 2286400 -24.2169 -6.15381 33.026 -5.19253 -31.3758 -15.2896 32.6304 -13.2302 35.7025 TIMING: 2286400 CPU: 6825.18, 0.00296323/step Wall: 6825.18, 0.00296323/step, 2.23362 hours remaining, 207.937500 MB of memory in use. ENERGY: 2286400 748.8331 2067.5958 1953.1598 101.8679 -205650.3430 17427.2163 0.0000 0.0000 34224.2078 -149127.4623 298.8885 -183351.6701 -149030.6246 299.5865 -274.3317 -237.9668 558232.9312 -6.9557 -6.6301 PRESSURE: 2286600 -21.4458 86.7398 -88.964 86.7406 132.821 -39.0193 -88.9646 -39.0185 -17.7426 GPRESSURE: 2286600 17.9898 136.215 -82.1015 71.2805 129.764 -79.1659 -88.8983 -32.7892 38.1098 PRESSAVG: 2286600 -42.3976 5.28995 20.9202 5.28996 -64.6762 -8.44998 20.92 -8.45003 32.1763 GPRESSAVG: 2286600 -42.4843 4.38368 20.6645 7.03778 -64.4748 -8.76408 22.1325 -8.86101 32.1043 TIMING: 2286600 CPU: 6825.77, 0.00297484/step Wall: 6825.77, 0.00297484/step, 2.2422 hours remaining, 207.937500 MB of memory in use. ENERGY: 2286600 746.3151 2114.0851 1921.5373 104.0394 -206208.4090 17768.7494 0.0000 0.0000 34337.9509 -149215.7319 299.8819 -183553.6827 -149117.6306 298.9143 31.2108 61.9544 557419.9880 -24.9658 -24.9516 PRESSURE: 2286800 -16.5918 27.1811 19.4808 27.1805 -335.539 -143.876 19.4792 -143.875 45.8394 GPRESSURE: 2286800 34.8189 -3.69114 -107.046 95.6635 -254.506 -118.297 64.0718 -152.494 14.0747 PRESSAVG: 2286800 -4.64147 24.783 9.3037 24.783 0.440259 -22.6158 9.30368 -22.6159 49.167 GPRESSAVG: 2286800 -4.07385 25.919 8.68152 23.6278 0.498991 -20.164 10.8145 -23.2981 48.0489 TIMING: 2286800 CPU: 6826.36, 0.00293162/step Wall: 6826.36, 0.00293162/step, 2.20946 hours remaining, 207.937500 MB of memory in use. ENERGY: 2286800 724.2051 2118.9141 1956.6610 122.8219 -206053.5374 17715.0765 0.0000 0.0000 34183.8344 -149232.0244 298.5359 -183415.8588 -149139.9326 298.7663 -102.0971 -68.5376 558416.8729 14.9886 14.8247 PRESSURE: 2287000 -232.503 -66.7443 138.627 -66.7451 44.9369 -64.4291 138.627 -64.4297 -208.185 GPRESSURE: 2287000 -228.389 -34.2358 127.247 -14.8172 99.1705 -116.419 79.0427 -48.413 -166.224 PRESSAVG: 2287000 11.8858 2.77896 -18.7804 2.77896 15.544 -30.0581 -18.7803 -30.0582 19.2817 GPRESSAVG: 2287000 12.4555 3.57929 -17.2512 3.7283 16.0114 -31.3645 -19.5155 -31.5143 18.5144 TIMING: 2287000 CPU: 6826.95, 0.00296589/step Wall: 6826.95, 0.00296589/step, 2.23513 hours remaining, 207.937500 MB of memory in use. ENERGY: 2287000 725.8879 2086.7767 1944.4526 104.0615 -206104.4415 17785.5719 0.0000 0.0000 34254.3295 -149203.3614 299.1516 -183457.6909 -149108.4476 299.5509 -131.9173 -98.4809 557819.2423 15.5705 15.6604 PRESSURE: 2287200 -162.729 -18.6277 -81.0731 -18.6272 -105.192 -17.2207 -81.0749 -17.22 -99.6255 GPRESSURE: 2287200 -106.203 -37.0653 -77.5485 -77.9735 -81.4149 17.1074 22.4085 8.24288 -90.7417 PRESSAVG: 2287200 -92.2814 0.933746 -30.9167 0.933874 70.5676 -41.5081 -30.9166 -41.5081 -30.4749 GPRESSAVG: 2287200 -91.899 -0.247553 -32.4642 -1.55349 69.9209 -44.0106 -30.8757 -39.3392 -30.3154 TIMING: 2287200 CPU: 6827.54, 0.00296028/step Wall: 6827.54, 0.00296028/step, 2.23074 hours remaining, 207.937500 MB of memory in use. ENERGY: 2287200 732.7871 2071.2356 1963.1552 107.0944 -206101.5199 17668.6445 0.0000 0.0000 34269.3809 -149289.2223 299.2830 -183558.6031 -149186.8137 299.7198 -122.5155 -92.7866 557817.2483 -17.3962 -17.4311 PRESSURE: 2287400 -83.4644 123.073 23.8917 123.072 -228.246 -6.717 23.8908 -6.71857 -138.77 GPRESSURE: 2287400 -48.6712 103.712 -0.160222 124.634 -173.428 8.80843 -20.6876 33.3473 -135.946 PRESSAVG: 2287400 -52.7444 39.0535 -20.9778 39.0535 1.68675 13.2471 -20.9779 13.2471 76.3534 GPRESSAVG: 2287400 -53.2538 38.9528 -20.3945 40.3265 2.03641 14.2832 -20.4146 12.651 76.7608 TIMING: 2287400 CPU: 6828.13, 0.00296283/step Wall: 6828.13, 0.00296283/step, 2.23249 hours remaining, 207.937500 MB of memory in use. ENERGY: 2287400 730.8514 2113.3260 1940.2887 113.7444 -205861.0509 17488.9177 0.0000 0.0000 34349.8604 -149124.0623 299.9859 -183473.9226 -149036.6944 300.0654 -150.1603 -119.3485 557677.2805 8.4319 8.5145 PRESSURE: 2287600 58.7136 -45.5686 -49.3284 -45.5669 -208.179 -93.9831 -49.3288 -93.983 -94.4786 GPRESSURE: 2287600 138.163 -20.2791 -22.4437 -37.3547 -178.355 -112.487 -94.3769 -92.5409 -105.607 PRESSAVG: 2287600 46.8299 50.6822 -16.5251 50.6822 -17.0027 -16.2032 -16.5252 -16.2032 -17.1756 GPRESSAVG: 2287600 46.6509 50.8349 -15.4693 51.316 -17.3435 -16.0733 -17.1112 -16.0282 -17.0157 TIMING: 2287600 CPU: 6828.73, 0.00297239/step Wall: 6828.73, 0.00297239/step, 2.23953 hours remaining, 207.937500 MB of memory in use. ENERGY: 2287600 748.7120 2034.9619 1917.8422 114.5226 -206123.8308 17829.0977 0.0000 0.0000 34213.3464 -149265.3480 298.7937 -183478.6944 -149154.7979 299.5515 -81.3148 -48.5995 558811.5648 4.2172 4.0972 PRESSURE: 2287800 -170.961 99.2472 -25.9552 99.2478 -251.92 3.03729 -25.9558 3.03627 -389.929 GPRESSURE: 2287800 -131.529 112.35 38.857 53.4615 -258.357 18.8398 27.1948 6.86451 -321.902 PRESSAVG: 2287800 55.1177 36.4483 -12.2515 36.4483 3.17553 18.3177 -12.2515 18.3177 -19.7182 GPRESSAVG: 2287800 54.9299 36.7716 -13.1558 34.9169 4.65416 18.561 -11.6761 16.4291 -20.4732 TIMING: 2287800 CPU: 6829.32, 0.00296594/step Wall: 6829.32, 0.00296594/step, 2.23451 hours remaining, 207.937500 MB of memory in use. ENERGY: 2287800 775.2359 2071.5999 1946.0527 118.9889 -206264.7689 17704.1631 0.0000 0.0000 34367.3464 -149281.3818 300.1386 -183648.7283 -149179.6063 299.2289 -270.9367 -237.2629 559534.8967 12.8583 13.0370 PRESSURE: 2288000 -163.43 74.4158 115.112 74.4172 -10.7149 -101.85 115.11 -101.848 152.932 GPRESSURE: 2288000 -136.186 20.7719 80.7249 90.8017 27.8518 -146.338 41.3552 -65.6609 177.207 PRESSAVG: 2288000 -1.5342 32.156 42.8617 32.1559 -39.9685 16.3314 42.8617 16.3313 1.12857 GPRESSAVG: 2288000 -2.37818 31.4599 43.0499 32.1423 -40.5831 16.1369 42.9811 17.7531 2.43635 TIMING: 2288000 CPU: 6829.92, 0.00296576/step Wall: 6829.92, 0.00296575/step, 2.2342 hours remaining, 207.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2288000 716.2981 2099.6757 1948.0983 114.3143 -206469.7542 18041.8419 0.0000 0.0000 34304.4937 -149245.0322 299.5897 -183549.5259 -149141.3580 299.7386 -7.0710 22.9576 559228.3076 -13.4580 -13.5083 PRESSURE: 2288200 -41.8396 -115.128 15.3902 -115.128 97.1116 -0.481596 15.391 -0.48011 -121.931 GPRESSURE: 2288200 44.1134 -76.1844 12.7898 -91.3195 86.479 1.56586 21.2001 -72.0531 -108.099 PRESSAVG: 2288200 12.2968 17.9892 93.5608 17.9893 -70.6857 0.104971 93.5608 0.105042 39.2048 GPRESSAVG: 2288200 14.3485 18.601 94.9464 18.5875 -72.3616 -0.0669622 93.3939 -2.08521 38.9876 TIMING: 2288200 CPU: 6830.51, 0.00295705/step Wall: 6830.51, 0.00295705/step, 2.22748 hours remaining, 207.937500 MB of memory in use. ENERGY: 2288200 728.9788 2055.9340 1931.1116 112.6939 -206196.9763 17885.8556 0.0000 0.0000 34289.0234 -149193.3791 299.4546 -183482.4025 -149097.8210 298.8856 -22.2195 7.4979 560154.4546 -6.3947 -6.3418 LDB: ============= START OF LOAD BALANCING ============== 6834.05 LDB: ============== END OF LOAD BALANCING =============== 6834.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6834.05 LDB: ============= START OF LOAD BALANCING ============== 6834.35 LDB: Largest compute 4773 load 0.030985 is 26.2% of average load 0.118144 LDB: Average compute 0.001725 is 1.5% of average load 0.118144 LDB: TIME 6834.35 LOAD: AVG 0.118144 MAX 0.199416 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 6834.35 LOAD: AVG 0.118144 MAX 0.199416 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.488 MB LDB: TIME 6834.35 LOAD: AVG 0.118144 MAX 0.199416 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6834.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6834.36 PRESSURE: 2288400 87.6228 81.5715 -22.8974 81.5725 -94.0545 191.626 -22.8989 191.625 30.0991 GPRESSURE: 2288400 156.663 127.108 -0.759849 47.0884 -51.6529 170.683 -67.4568 202.812 13.8079 PRESSAVG: 2288400 34.1756 -67.4636 -7.64777 -67.4637 -58.9852 24.1387 -7.64779 24.1387 27.0814 GPRESSAVG: 2288400 33.7351 -68.4022 -8.39951 -66.3039 -58.9272 21.6842 -6.10119 27.21 28.2029 TIMING: 2288400 CPU: 6831.11, 0.00299811/step Wall: 6831.11, 0.00299811/step, 2.25825 hours remaining, 207.023438 MB of memory in use. ENERGY: 2288400 779.9958 2073.4994 1921.2157 119.0604 -206524.9065 18075.2156 0.0000 0.0000 34160.6276 -149395.2921 298.3333 -183555.9197 -149298.5325 298.7836 7.8892 39.6059 558354.7454 0.7573 1.0036 PRESSURE: 2288600 -54.4262 -38.8165 39.4894 -38.8169 55.2391 75.3399 39.4881 75.3396 -129.81 GPRESSURE: 2288600 -39.6093 -133.082 71.2561 -45.2055 97.5098 91.0595 53.9119 132.315 -95.2604 PRESSAVG: 2288600 -15.1401 -32.0665 10.532 -32.0665 2.43138 -4.83986 10.5319 -4.83986 21.2938 GPRESSAVG: 2288600 -15.087 -31.3914 9.42833 -33.1464 3.76082 -3.71759 10.08 -6.89268 20.356 TIMING: 2288600 CPU: 6831.7, 0.00294469/step Wall: 6831.7, 0.00294469/step, 2.21784 hours remaining, 207.281250 MB of memory in use. ENERGY: 2288600 741.9439 2093.4567 1919.9399 125.5428 -206526.2134 17936.1640 0.0000 0.0000 34363.3786 -149345.7873 300.1039 -183709.1660 -149245.1941 299.3130 -42.9990 -12.4533 559479.0840 2.8617 3.0100 PRESSURE: 2288800 -28.855 -103.967 102.122 -103.968 78.3567 -64.7546 102.123 -64.7549 24.3972 GPRESSURE: 2288800 -16.2581 -91.6974 125.934 -11.4422 162.777 -93.5205 102.196 -59.4082 34.0746 PRESSAVG: 2288800 -34.8629 -30.1125 -20.993 -30.1126 10.1761 -10.3341 -20.9931 -10.3341 -0.675633 GPRESSAVG: 2288800 -34.5384 -31.8595 -19.977 -30.2178 10.1457 -10.0937 -19.9987 -9.89764 -0.986061 TIMING: 2288800 CPU: 6832.29, 0.00296512/step Wall: 6832.29, 0.00296512/step, 2.23307 hours remaining, 207.281250 MB of memory in use. ENERGY: 2288800 723.4695 2097.0368 1917.0621 116.8585 -206628.4219 18101.9387 0.0000 0.0000 34460.2362 -149211.8200 300.9498 -183672.0563 -149116.2761 299.3259 24.6330 60.1977 558356.7299 -8.4541 -8.4596 PRESSURE: 2289000 -170.703 30.3291 41.7533 30.3295 -192.251 32.0342 41.7531 32.034 79.1149 GPRESSURE: 2289000 -202.838 -1.08617 112.727 48.3485 -166.866 20.3927 -38.7839 37.7535 184.277 PRESSAVG: 2289000 46.8015 -59.7308 45.1447 -59.7309 -25.9182 8.95894 45.1447 8.95888 23.6203 GPRESSAVG: 2289000 45.3346 -57.115 45.9806 -62.3881 -26.8488 8.23841 42.4144 8.94388 25.5626 TIMING: 2289000 CPU: 6832.89, 0.00299757/step Wall: 6832.89, 0.00299757/step, 2.25733 hours remaining, 207.281250 MB of memory in use. ENERGY: 2289000 727.4000 2113.7255 1933.4908 111.5354 -206203.9309 17766.4384 0.0000 0.0000 34400.0794 -149151.2614 300.4244 -183551.3408 -149055.1688 299.5880 -94.6129 -61.8091 558087.6427 14.8345 14.6828 PRESSURE: 2289200 -87.5107 -98.7485 -72.1029 -98.7485 -119.17 -82.6547 -72.1023 -82.6537 -148.528 GPRESSURE: 2289200 -19.0022 -123.72 -129.722 -120.435 -113.4 -148.816 -7.67557 -55.9602 -119.196 PRESSAVG: 2289200 -29.5462 -77.0475 13.5434 -77.0476 -19.26 -83.4198 13.5434 -83.4198 -19.1339 GPRESSAVG: 2289200 -28.9613 -77.818 13.1351 -76.6349 -17.3322 -82.1923 14.2078 -83.5556 -21.7164 TIMING: 2289200 CPU: 6833.49, 0.00300247/step Wall: 6833.49, 0.00300247/step, 2.26086 hours remaining, 207.281250 MB of memory in use. ENERGY: 2289200 770.0513 2131.0929 1932.7650 110.4954 -206146.0191 17822.9946 0.0000 0.0000 34140.4702 -149238.1498 298.1572 -183378.6200 -149140.9404 299.0516 -118.4032 -83.8659 557766.0958 -22.6467 -22.6700 PRESSURE: 2289400 -103.663 -29.8362 -7.65613 -29.8376 3.59843 -62.8898 -7.65659 -62.8905 -99.7026 GPRESSURE: 2289400 -88.4075 -61.1161 -15.4997 24.6371 44.3881 -95.2877 -12.2774 -120.649 -67.1135 PRESSAVG: 2289400 -29.5731 -29.2607 35.947 -29.2606 27.333 -21.6408 35.9471 -21.6409 23.7961 GPRESSAVG: 2289400 -28.2088 -29.5001 35.2775 -29.2316 25.9062 -20.9127 37.2437 -21.0848 24.3601 TIMING: 2289400 CPU: 6834.09, 0.00299514/step Wall: 6834.09, 0.00299514/step, 2.25517 hours remaining, 207.335938 MB of memory in use. ENERGY: 2289400 711.2197 2072.9543 1939.5950 113.8357 -206029.7651 17621.7342 0.0000 0.0000 34235.0122 -149335.4139 298.9829 -183570.4261 -149237.3793 299.2086 -66.5890 -37.0443 556430.5618 7.1853 7.3525 PRESSURE: 2289600 10.6379 -31.2109 28.1768 -31.2111 -152.392 49.873 28.177 49.8737 100.327 GPRESSURE: 2289600 58.5056 -79.6428 -5.90012 -2.39475 -113.993 38.2967 88.4607 50.1531 114.57 PRESSAVG: 2289600 -12.7641 18.9231 29.1035 18.9231 32.8245 -8.96775 29.1035 -8.9678 24.0348 GPRESSAVG: 2289600 -13.0287 19.7874 27.635 19.7318 34.1681 -11.9731 29.0741 -9.19473 23.1909 TIMING: 2289600 CPU: 6834.68, 0.00297789/step Wall: 6834.68, 0.00297789/step, 2.24202 hours remaining, 207.335938 MB of memory in use. ENERGY: 2289600 796.1442 2096.1496 1927.1801 102.8830 -206117.6753 17832.6958 0.0000 0.0000 34176.9688 -149185.6536 298.4760 -183362.6224 -149089.5058 299.1395 -13.8089 19.6940 559214.8526 14.6984 14.7768 PRESSURE: 2289800 -69.7724 67.6894 183.825 67.6897 19.3976 -3.09172 183.825 -3.09095 247.96 GPRESSURE: 2289800 -28.2661 65.1175 213.499 102.369 37.5871 1.00004 139.37 25.7444 286.678 PRESSAVG: 2289800 -27.3869 1.31451 -25.4543 1.31452 -34.2114 18.1876 -25.4542 18.1876 85.8174 GPRESSAVG: 2289800 -28.7608 1.89439 -26.1043 1.98016 -35.7035 18.5892 -25.0991 19.9777 88.0869 TIMING: 2289800 CPU: 6835.27, 0.00294319/step Wall: 6835.27, 0.00294319/step, 2.21573 hours remaining, 207.335938 MB of memory in use. ENERGY: 2289800 724.0484 2107.3715 1945.2482 123.4623 -206083.0006 17969.7141 0.0000 0.0000 34083.1326 -149130.0236 297.6565 -183213.1562 -149039.0947 298.8926 65.8616 98.6664 558499.4505 8.0730 7.8742 PRESSURE: 2290000 -58.8763 -56.8196 -64.5908 -56.8209 266.531 -94.9272 -64.5905 -94.9267 237.669 GPRESSURE: 2290000 -43.3493 -108.019 1.2301 -92.6868 284.631 -108.059 -40.7063 -70.2715 301.617 PRESSAVG: 2290000 -30.2662 37.2776 -8.51653 37.2776 -7.41818 24.222 -8.51646 24.2219 90.6492 GPRESSAVG: 2290000 -29.5071 35.0682 -7.60899 35.9803 -6.97326 25.9776 -7.8652 21.4789 89.8432 TIMING: 2290000 CPU: 6835.86, 0.00295645/step Wall: 6835.86, 0.00295645/step, 2.22555 hours remaining, 207.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2290000 736.9237 2097.3506 1918.9244 122.1208 -206106.9090 17848.4363 0.0000 0.0000 34280.1923 -149102.9610 299.3774 -183383.1532 -149000.3956 299.2314 148.4412 180.9661 556798.9075 17.6549 17.7876 PRESSURE: 2290200 160.997 -28.2255 -109.341 -28.2266 141.992 90.9587 -109.343 90.9573 209.464 GPRESSURE: 2290200 179.133 0.434147 -112.641 -68.0723 201.769 77.166 -23.5337 125.331 217.858 PRESSAVG: 2290200 10.7371 -12.5845 -17.5505 -12.5846 49.5652 4.79344 -17.5506 4.79345 -84.463 GPRESSAVG: 2290200 9.85828 -10.829 -15.0596 -12.8699 50.926 3.94304 -19.771 4.34076 -84.7628 TIMING: 2290200 CPU: 6836.46, 0.00299535/step Wall: 6836.46, 0.00299535/step, 2.25467 hours remaining, 207.335938 MB of memory in use. ENERGY: 2290200 712.3963 2145.3083 1934.4978 117.1401 -206480.1701 17967.2528 0.0000 0.0000 34377.5358 -149226.0390 300.2276 -183603.5748 -149134.4740 299.3929 170.8177 199.5866 558259.5355 -8.0536 -7.9928 PRESSURE: 2290400 -260.457 -88.6592 -141.868 -88.6598 60.3945 15.8194 -141.869 15.8191 65.8152 GPRESSURE: 2290400 -232.465 -97.0641 -103.255 -229.824 62.445 -45.1324 -152.294 50.6087 139.325 PRESSAVG: 2290400 2.51784 31.4869 2.80132 31.4869 13.2667 -60.802 2.80123 -60.802 -19.0713 GPRESSAVG: 2290400 4.39822 30.2205 0.00848843 32.6181 11.354 -59.066 4.08427 -60.2611 -18.8458 TIMING: 2290400 CPU: 6837.06, 0.00301536/step Wall: 6837.06, 0.00301536/step, 2.26956 hours remaining, 207.335938 MB of memory in use. ENERGY: 2290400 755.6401 2079.5324 1943.7248 112.7952 -206107.1988 17800.3156 0.0000 0.0000 34196.9960 -149218.1946 298.6509 -183415.1906 -149119.5940 298.7631 -44.7489 -10.2314 558816.9713 -1.0956 -1.0312 PRESSURE: 2290600 22.9728 -59.281 -0.0596882 -59.2803 -119.989 118.858 -0.0588921 118.857 129.62 GPRESSURE: 2290600 59.9017 -114.852 36.7206 29.9057 -56.3777 99.2126 -29.9534 125.593 125.367 PRESSAVG: 2290600 -14.2886 -49.0207 30.8513 -49.0207 -59.8757 -2.02498 30.8513 -2.025 19.7037 GPRESSAVG: 2290600 -15.2364 -49.8797 31.1841 -46.9705 -59.1779 -4.60238 29.7132 -2.45859 19.8215 TIMING: 2290600 CPU: 6837.67, 0.00300646/step Wall: 6837.67, 0.00300646/step, 2.26269 hours remaining, 207.335938 MB of memory in use. ENERGY: 2290600 715.3242 2033.1022 1914.0402 123.8368 -205922.0751 17773.3783 0.0000 0.0000 34217.6874 -149144.7060 298.8316 -183362.3934 -149046.1309 299.0974 10.8680 42.9636 558639.1084 -18.1535 -18.1976 PRESSURE: 2290800 -110.646 49.3196 -16.2049 49.3184 -44.2521 -15.2162 -16.2052 -15.2151 -21.1034 GPRESSURE: 2290800 -70.2709 75.1934 9.09882 0.381832 6.28778 -79.229 -80.9473 10.946 -27.7497 PRESSAVG: 2290800 -63.847 -8.30709 53.7896 -8.30713 38.8441 -21.0681 53.7896 -21.068 27.0565 GPRESSAVG: 2290800 -64.0457 -6.41063 54.1283 -9.81511 39.0161 -19.7388 55.4275 -19.8275 26.9941 TIMING: 2290800 CPU: 6838.26, 0.00297765/step Wall: 6838.26, 0.00297765/step, 2.24085 hours remaining, 207.335938 MB of memory in use. ENERGY: 2290800 748.5020 2066.5923 1936.4112 112.4433 -205937.5725 17731.0302 0.0000 0.0000 34173.7196 -149168.8739 298.4476 -183342.5935 -149073.3525 299.5569 -58.6673 -30.5776 556878.1067 0.6846 0.6548 PRESSURE: 2291000 -185.77 -152.36 -68.4829 -152.36 -92.5721 70.7624 -68.4831 70.7617 131.946 GPRESSURE: 2291000 -128.872 -155.799 -79.1138 -49.6763 -70.8777 143.013 -20.4687 43.9208 155.655 PRESSAVG: 2291000 -59.2641 -19.7903 -10.4233 -19.7903 31.016 -24.683 -10.4232 -24.683 14.7616 GPRESSAVG: 2291000 -59.8231 -20.8689 -10.9368 -21.2658 30.5761 -23.0975 -10.4878 -25.0872 15.81 TIMING: 2291000 CPU: 6838.86, 0.00296887/step Wall: 6838.86, 0.00296887/step, 2.23407 hours remaining, 207.335938 MB of memory in use. ENERGY: 2291000 774.8004 2077.3189 1937.0822 107.8570 -206193.9503 17925.4739 0.0000 0.0000 34181.3731 -149190.0448 298.5144 -183371.4178 -149101.0323 299.5990 -48.7988 -14.6981 557337.4635 -4.4955 -4.4790 PRESSURE: 2291200 -48.9277 102.679 -7.38243 102.679 291.989 -58.6307 -7.38259 -58.6307 509.369 GPRESSURE: 2291200 25.5623 60.318 17.679 61.524 307.045 -42.452 16.7503 17.8309 506.46 PRESSAVG: 2291200 10.3011 -4.77792 5.25604 -4.77793 -40.5343 59.6392 5.25603 59.6394 28.5802 GPRESSAVG: 2291200 10.943 -3.22015 6.19995 -3.97044 -40.634 58.1036 4.84596 59.1535 28.3349 TIMING: 2291200 CPU: 6839.45, 0.00297162/step Wall: 6839.45, 0.00297162/step, 2.23598 hours remaining, 207.335938 MB of memory in use. ENERGY: 2291200 744.7917 2075.3879 1941.4975 104.7900 -206685.0587 18301.4084 0.0000 0.0000 34452.7785 -149064.4047 300.8847 -183517.1831 -148971.0898 298.9050 250.8102 279.6893 556621.0956 -0.5510 -0.4520 PRESSURE: 2291400 99.6209 -30.914 33.0851 -30.9148 123.05 -71.4168 33.0857 -71.4164 26.9734 GPRESSURE: 2291400 121.59 -96.293 -61.5673 44.4389 125.837 -48.7002 97.9245 -58.6551 94.3893 PRESSAVG: 2291400 -10.2936 -31.9 45.6012 -31.9 23.4559 23.9159 45.6011 23.916 -9.10144 GPRESSAVG: 2291400 -9.51977 -33.004 45.9915 -30.5014 23.4104 22.5626 44.6648 25.054 -9.45458 TIMING: 2291400 CPU: 6840.04, 0.0029573/step Wall: 6840.04, 0.0029573/step, 2.22504 hours remaining, 207.335938 MB of memory in use. ENERGY: 2291400 760.4198 2123.5074 1925.5641 109.3179 -206379.7446 17833.8192 0.0000 0.0000 34600.1499 -149026.9663 302.1717 -183627.1162 -148931.7119 299.0733 83.2146 113.9388 557180.3635 1.3536 1.4787 PRESSURE: 2291600 -62.737 9.26518 14.2883 9.26443 140.038 78.5943 14.2876 78.5935 -183.477 GPRESSURE: 2291600 -15.9277 110.792 93.5834 6.05775 148.26 137.935 60.2846 76.1851 -128.209 PRESSAVG: 2291600 9.12752 -50.6496 11.2849 -50.6496 4.71106 -41.7241 11.2848 -41.7241 -29.2977 GPRESSAVG: 2291600 9.56319 -52.9131 12.9056 -50.5834 4.17481 -41.9867 12.1181 -42.5192 -29.8255 TIMING: 2291600 CPU: 6840.64, 0.00299153/step Wall: 6840.64, 0.00299153/step, 2.25063 hours remaining, 207.335938 MB of memory in use. ENERGY: 2291600 730.3125 2087.5206 1952.7901 117.6736 -206112.9159 17883.9183 0.0000 0.0000 34323.8144 -149016.8866 299.7584 -183340.7009 -148918.2910 299.9987 -35.3917 1.3746 557627.4139 -5.1530 -5.3625 PRESSURE: 2291800 13.0397 190.692 46.0063 190.691 212.521 151.872 46.0061 151.872 31.9555 GPRESSURE: 2291800 109.573 72.2506 80.4329 140.423 203.353 26.335 72.7569 234.844 24.7493 PRESSAVG: 2291800 -105.229 -16.9986 24.4995 -16.9986 -36.5204 23.279 24.4995 23.279 57.3054 GPRESSAVG: 2291800 -104.945 -17.4557 22.7934 -17.0707 -36.3173 22.4422 25.4161 23.6873 56.8608 TIMING: 2291800 CPU: 6841.24, 0.00300389/step Wall: 6841.24, 0.00300389/step, 2.25976 hours remaining, 207.347656 MB of memory in use. ENERGY: 2291800 714.8756 2130.3605 1942.5180 117.2488 -206420.9160 17983.9486 0.0000 0.0000 34363.5228 -149168.4417 300.1052 -183531.9645 -149065.2423 299.6600 85.8388 112.5586 557051.5209 -28.1480 -28.1339 PRESSURE: 2292000 -24.5628 126.828 -123.968 126.826 213.189 21.3475 -123.968 21.347 1.93581 GPRESSURE: 2292000 39.095 157.064 -49.4353 42.0472 196.976 21.9862 -164.144 73.5577 60.5135 PRESSAVG: 2292000 17.0273 -2.44071 15.6834 -2.44068 -39.602 15.9666 15.6835 15.9666 8.46432 GPRESSAVG: 2292000 16.0884 -0.435546 14.2285 -4.82431 -39.6677 17.0549 16.3746 15.1819 9.34157 TIMING: 2292000 CPU: 6841.84, 0.0029765/step Wall: 6841.84, 0.0029765/step, 2.23899 hours remaining, 207.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2292000 748.2138 2077.8197 1941.5646 114.8620 -206551.7375 17802.1442 0.0000 0.0000 34500.8678 -149366.2654 301.3047 -183867.1332 -149272.3963 299.5865 63.5206 98.8615 556857.2743 -4.7035 -4.7459 PRESSURE: 2292200 71.6162 -168.165 54.7312 -168.166 103.474 47.941 54.7321 47.9423 -74.3116 GPRESSURE: 2292200 73.2573 -150.805 108.004 -70.142 149.567 44.4473 21.3487 39.3483 -27.2899 PRESSAVG: 2292200 -22.8577 -19.3806 15.2409 -19.3806 -4.06455 32.5082 15.241 32.5083 3.28753 GPRESSAVG: 2292200 -23.1114 -19.6849 16.037 -17.7468 -3.32886 33.9385 15.0166 32.5858 3.07497 TIMING: 2292200 CPU: 6842.44, 0.00300964/step Wall: 6842.44, 0.00300964/step, 2.26375 hours remaining, 207.347656 MB of memory in use. ENERGY: 2292200 723.2952 2104.5712 1936.3760 111.3894 -206159.1365 17814.1969 0.0000 0.0000 34209.4067 -149259.9011 298.7593 -183469.3078 -149157.3358 298.9028 33.5929 65.1782 557071.1671 -7.8782 -7.7884 LDB: ============= START OF LOAD BALANCING ============== 6845.99 LDB: ============== END OF LOAD BALANCING =============== 6845.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6845.99 LDB: ============= START OF LOAD BALANCING ============== 6846.29 LDB: Largest compute 4773 load 0.028289 is 23.9% of average load 0.118165 LDB: Average compute 0.001727 is 1.5% of average load 0.118165 LDB: TIME 6846.29 LOAD: AVG 0.118165 MAX 0.20247 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.996 MB LDB: TIME 6846.29 LOAD: AVG 0.118165 MAX 0.20247 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: TIME 6846.29 LOAD: AVG 0.118165 MAX 0.20247 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: ============== END OF LOAD BALANCING =============== 6846.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6846.3 PRESSURE: 2292400 72.4159 -54.8354 -68.0681 -54.8369 281.549 126.241 -68.0683 126.241 44.5992 GPRESSURE: 2292400 153.507 -84.3251 -125.332 -59.5593 304.69 41.2775 -45.9019 103.471 37.0776 PRESSAVG: 2292400 -35.687 -7.35294 -7.57611 -7.35307 56.1685 13.7447 -7.57616 13.7447 -50.334 GPRESSAVG: 2292400 -36.1428 -5.84314 -4.52744 -9.81627 55.9121 12.6539 -9.33247 14.7678 -49.8684 TIMING: 2292400 CPU: 6843.05, 0.00305315/step Wall: 6843.05, 0.00305315/step, 2.29631 hours remaining, 207.796875 MB of memory in use. ENERGY: 2292400 746.4008 2088.0912 1907.8760 98.2584 -206581.6204 18151.6821 0.0000 0.0000 34429.9913 -149159.3205 300.6857 -183589.3118 -149070.1498 299.5140 132.8546 165.0915 557284.9157 -9.9508 -10.0330 PRESSURE: 2292600 289.123 -146.014 112.92 -146.014 157.697 61.4551 112.92 61.4554 156.951 GPRESSURE: 2292600 324.895 -110.732 85.3587 -250.628 173.768 42.8243 113.688 79.9528 193.091 PRESSAVG: 2292600 18.8985 5.30202 26.886 5.30205 5.20928 -39.3365 26.8861 -39.3365 -13.542 GPRESSAVG: 2292600 19.8457 5.36555 25.1552 8.04105 4.8656 -38.1663 28.8367 -40.5583 -14.7222 TIMING: 2292600 CPU: 6843.64, 0.0029809/step Wall: 6843.64, 0.0029809/step, 2.24181 hours remaining, 207.796875 MB of memory in use. ENERGY: 2292600 702.4275 2079.0992 1938.5530 93.8903 -206262.2248 18042.0059 0.0000 0.0000 34111.6389 -149294.6101 297.9054 -183406.2490 -149200.5347 299.5823 201.2568 230.5850 557066.5477 3.5219 3.3297 PRESSURE: 2292800 -254.781 -27.6489 193.836 -27.6473 -284.898 -88.1962 193.834 -88.1946 -94.9885 GPRESSURE: 2292800 -194.961 -75.8044 203.825 6.58905 -277.198 -23.9677 129.248 -130.499 -69.5235 PRESSAVG: 2292800 -56.9857 -45.824 -10.4228 -45.824 43.7266 -16.0441 -10.4227 -16.0439 17.2423 GPRESSAVG: 2292800 -56.8522 -47.9485 -10.1967 -47.6919 42.8083 -17.3671 -11.2364 -14.3316 17.8821 TIMING: 2292800 CPU: 6844.24, 0.00296425/step Wall: 6844.24, 0.00296425/step, 2.22912 hours remaining, 207.796875 MB of memory in use. ENERGY: 2292800 716.6558 1989.9759 1948.9859 106.2449 -205873.7934 17525.4346 0.0000 0.0000 34126.4486 -149460.0478 298.0348 -183586.4964 -149371.1908 299.0414 -211.5559 -180.5608 558011.7422 1.3277 1.2794 PRESSURE: 2293000 -166.948 -41.7622 126.223 -41.763 -283.764 -55.5065 126.224 -55.5078 -142.081 GPRESSURE: 2293000 -174.817 -28.7267 186.918 -60.4271 -234.461 -24.5737 21.4767 -158.999 -102.626 PRESSAVG: 2293000 6.23078 -14.7263 6.57864 -14.7263 -48.8823 -48.9605 6.5786 -48.9604 25.347 GPRESSAVG: 2293000 4.95176 -14.6609 8.0116 -11.1623 -47.9897 -50.3117 6.66066 -48.4758 25.1451 TIMING: 2293000 CPU: 6844.83, 0.00298358/step Wall: 6844.83, 0.00298357/step, 2.24348 hours remaining, 207.796875 MB of memory in use. ENERGY: 2293000 728.7741 2103.3090 1920.5619 113.7033 -206202.4636 17668.0828 0.0000 0.0000 34255.1437 -149412.8887 299.1587 -183668.0324 -149316.3053 298.1920 -197.5977 -170.6347 558808.9109 -5.7682 -5.9643 PRESSURE: 2293200 -5.03433 104.637 -75.3639 104.636 3.78876 105.877 -75.3634 105.876 -20.9517 GPRESSURE: 2293200 -9.77682 56.9647 -39.3176 69.2617 35.6463 91.2971 0.219901 87.8736 45.4438 PRESSAVG: 2293200 15.7422 24.9324 22.237 24.9323 6.64017 -8.97871 22.237 -8.97872 -4.53894 GPRESSAVG: 2293200 14.9718 25.4051 20.8426 22.8975 6.53007 -8.74112 24.203 -8.34914 -3.89644 TIMING: 2293200 CPU: 6845.43, 0.0029727/step Wall: 6845.43, 0.0029727/step, 2.23514 hours remaining, 207.796875 MB of memory in use. ENERGY: 2293200 764.9451 2061.5935 1921.2490 121.4615 -206430.0209 17902.3651 0.0000 0.0000 34223.9585 -149434.4482 298.8863 -183658.4067 -149333.5041 298.9115 -7.3991 23.7711 556913.0767 5.9478 5.8685 PRESSURE: 2293400 59.6923 191.564 53.2259 191.565 -83.529 101.949 53.2265 101.95 47.8626 GPRESSURE: 2293400 60.7298 221.486 70.1395 150.953 -42.7958 140.046 30.1956 86.154 103.832 PRESSAVG: 2293400 -7.92646 5.15159 15.8333 5.15157 22.4488 -10.0678 15.8334 -10.0678 11.7459 GPRESSAVG: 2293400 -6.97657 7.18633 15.1808 4.31696 20.8936 -10.3688 14.4451 -11 12.348 TIMING: 2293400 CPU: 6846.03, 0.00300666/step Wall: 6846.03, 0.00300666/step, 2.26051 hours remaining, 207.796875 MB of memory in use. ENERGY: 2293400 756.7058 2094.1236 1926.2661 110.2697 -206471.2737 17898.8074 0.0000 0.0000 34367.4978 -149317.6032 300.1399 -183685.1010 -149220.5264 298.7504 8.0086 40.5887 556262.4429 8.7561 8.7550 PRESSURE: 2293600 -142.802 81.5137 -33.4872 81.5137 38.9834 -153.524 -33.4883 -153.524 -78.0501 GPRESSURE: 2293600 -33.7553 63.1289 -25.4124 106.257 108.551 -163.542 -27.4051 -225.878 -166.531 PRESSAVG: 2293600 -13.2786 67.0694 -2.94182 67.0694 -4.74042 80.7042 -2.94176 80.7043 -22.7864 GPRESSAVG: 2293600 -12.9968 64.6907 -2.98549 67.2743 -3.54727 83.9208 -3.79712 78.722 -23.9424 TIMING: 2293600 CPU: 6846.64, 0.00303571/step Wall: 6846.64, 0.00303571/step, 2.28218 hours remaining, 207.796875 MB of memory in use. ENERGY: 2293600 745.0725 2053.4981 1936.3167 115.3901 -206029.2303 17685.2566 0.0000 0.0000 34104.7389 -149388.9574 297.8452 -183493.6963 -149299.5365 298.9244 -60.6228 -30.5784 557449.1569 -13.6018 -13.4955 PRESSURE: 2293800 -254.347 -92.6245 -88.8758 -92.6238 -284.192 44.0726 -88.8753 44.0733 15.9188 GPRESSURE: 2293800 -264.261 -109.498 -124.944 -29.9455 -231.121 -1.74685 -11.0103 61.9259 60.9019 PRESSAVG: 2293800 -20.1668 -49.1728 22.9635 -49.1728 46.7668 -2.42112 22.9634 -2.42125 -5.60025 GPRESSAVG: 2293800 -20.4058 -50.0455 23.651 -46.7446 46.2876 -2.42204 23.1336 -2.11509 -5.2257 TIMING: 2293800 CPU: 6847.24, 0.00302887/step Wall: 6847.24, 0.00302887/step, 2.27687 hours remaining, 207.796875 MB of memory in use. ENERGY: 2293800 760.2865 2083.1380 1913.0894 92.5018 -205906.7580 17585.3083 0.0000 0.0000 34180.3905 -149292.0435 298.5059 -183472.4340 -149196.8501 299.0269 -174.2069 -144.8267 557148.0368 6.9999 6.8854 PRESSURE: 2294000 -145.826 -2.13984 -6.7592 -2.13928 -12.3778 -53.5362 -6.75971 -53.5359 187.722 GPRESSURE: 2294000 -133.856 12.2008 -28.1501 35.107 18.8725 106.249 -35.6479 -80.967 241.887 PRESSAVG: 2294000 -66.5143 -39.6091 -11.5108 -39.609 25.9121 21.9702 -11.5108 21.9702 21.3897 GPRESSAVG: 2294000 -66.8608 -38.3857 -12.6698 -41.9671 25.3214 21.4261 -10.3549 23.5733 22.8556 TIMING: 2294000 CPU: 6847.85, 0.00302048/step Wall: 6847.85, 0.00302048/step, 2.2704 hours remaining, 207.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2294000 784.0705 2089.6854 1919.9900 107.6242 -206115.5726 17812.5092 0.0000 0.0000 34128.4689 -149273.2243 298.0524 -183401.6932 -149182.6952 298.3842 9.8395 42.3013 556918.4089 -6.4042 -6.2279 PRESSURE: 2294200 -253.671 -166.849 -117.506 -166.848 -24.3562 -69.3045 -117.507 -69.3039 -254.798 GPRESSURE: 2294200 -181.81 -196.893 -169.82 -164.174 -4.3155 -117.292 -57.5285 -24.774 -252.446 PRESSAVG: 2294200 -16.1462 24.1562 -12.7368 24.1561 39.2208 -33.4423 -12.7367 -33.4423 18.1343 GPRESSAVG: 2294200 -15.3663 26.7571 -11.9237 24.4701 40.7144 -34.1722 -12.7453 -32.0478 16.0218 TIMING: 2294200 CPU: 6848.44, 0.00298885/step Wall: 6848.44, 0.00298885/step, 2.24645 hours remaining, 207.796875 MB of memory in use. ENERGY: 2294200 733.8790 2069.6535 1974.6634 108.4654 -205727.8039 17399.0344 0.0000 0.0000 34185.5270 -149256.5812 298.5507 -183442.1082 -149157.5418 299.1104 -177.6082 -146.1903 557396.5645 13.7363 13.7899 PRESSURE: 2294400 338.628 -8.80677 -25.7864 -8.80741 -244.994 -32.6779 -25.7849 -32.6781 6.03673 GPRESSURE: 2294400 342.685 -16.1843 11.9891 0.654881 -248.113 -37.8641 -36.2686 65.5005 93.7016 PRESSAVG: 2294400 63.0848 -14.2192 13.8117 -14.2193 -49.2347 -28.5472 13.8117 -28.5471 48.0132 GPRESSAVG: 2294400 63.2578 -15.3644 13.7839 -14.3396 -50.5252 -29.3824 12.6352 -29.3476 48.8785 TIMING: 2294400 CPU: 6849.04, 0.00297999/step Wall: 6849.04, 0.00297999/step, 2.23963 hours remaining, 207.796875 MB of memory in use. ENERGY: 2294400 740.4127 2119.6418 1940.1644 111.3178 -206590.2462 17848.2074 0.0000 0.0000 34412.5851 -149417.9169 300.5337 -183830.5020 -149315.6157 299.6901 33.2235 62.7579 556316.8092 20.6211 20.5370 PRESSURE: 2294600 -319.465 2.91565 33.3469 2.91555 163.613 -27.0898 33.3473 -27.0887 -21.3784 GPRESSURE: 2294600 -272.827 4.52377 0.547142 54.9765 144.745 -28.5266 51.028 -76.2517 41.821 PRESSAVG: 2294600 42.8428 50.0742 -10.1892 50.0741 -11.9996 -41.5927 -10.1892 -41.5928 -12.2967 GPRESSAVG: 2294600 42.0032 49.7383 -8.46134 51.8685 -12.1366 -42.4626 -11.2553 -42.26 -11.9703 TIMING: 2294600 CPU: 6849.64, 0.00299209/step Wall: 6849.64, 0.00299209/step, 2.24856 hours remaining, 207.796875 MB of memory in use. ENERGY: 2294600 721.6669 2093.4027 1924.0658 124.3411 -206034.1482 17656.6860 0.0000 0.0000 34170.1433 -149343.8425 298.4164 -183513.9857 -149245.1865 299.1529 -59.0768 -28.7537 557726.2712 6.1822 5.9655 PRESSURE: 2294800 -155.351 -19.3821 -82.8083 -19.3828 -13.378 -58.144 -82.8086 -58.1447 44.0155 GPRESSURE: 2294800 -133.233 82.7916 -79.958 -123.269 59.53 -54.1728 -25.4507 -72.6132 66.5773 PRESSAVG: 2294800 -48.0759 11.6046 49.605 11.6046 27.8564 -28.3105 49.605 -28.3106 63.181 GPRESSAVG: 2294800 -46.9166 12.1584 48.3789 10.5962 27.8943 -28.1643 49.3449 -27.7443 62.2682 TIMING: 2294800 CPU: 6850.23, 0.00295989/step Wall: 6850.23, 0.00295989/step, 2.22419 hours remaining, 207.796875 MB of memory in use. ENERGY: 2294800 729.0078 2151.6023 1925.3957 111.1800 -206218.9311 17647.2688 0.0000 0.0000 34416.4920 -149237.9845 300.5678 -183654.4765 -149147.8100 299.0619 -41.5711 -2.3753 557734.1256 14.3205 14.4153 PRESSURE: 2295000 -7.88718 -53.2248 185.71 -53.2253 -114.907 -220.204 185.709 -220.206 -85.0562 GPRESSURE: 2295000 11.4225 -68.7317 106.04 -55.787 -50.2017 -244.832 213.124 -164.091 -68.0957 PRESSAVG: 2295000 -21.6793 -0.818188 -18.2426 -0.818105 23.8056 -28.8481 -18.2426 -28.8481 48.898 GPRESSAVG: 2295000 -22.5222 -1.78189 -17.7116 -3.33996 24.3791 -27.1144 -16.9842 -32.2945 49.1246 TIMING: 2295000 CPU: 6850.83, 0.0029909/step Wall: 6850.83, 0.0029909/step, 2.24733 hours remaining, 207.796875 MB of memory in use. ENERGY: 2295000 763.7013 2087.4796 1927.4470 109.9764 -206568.9871 17890.6226 0.0000 0.0000 34345.1449 -149444.6153 299.9447 -183789.7602 -149344.5126 299.2784 -69.2835 -35.6250 557723.6649 17.0081 16.9938 PRESSURE: 2295200 140.045 115.015 -193.987 115.015 175.653 -50.4444 -193.987 -50.4464 332.726 GPRESSURE: 2295200 186.983 89.3202 -207.203 127.607 200.553 -55.9539 -179.098 10.8943 347.726 PRESSAVG: 2295200 -0.175488 37.6514 49.3974 37.6514 55.345 42.4508 49.3974 42.4508 -9.34331 GPRESSAVG: 2295200 -1.1436 36.8017 48.7816 38.0974 56.6711 40.3373 48.3897 43.9896 -9.3916 TIMING: 2295200 CPU: 6851.43, 0.00299495/step Wall: 6851.43, 0.00299495/step, 2.2502 hours remaining, 207.796875 MB of memory in use. ENERGY: 2295200 691.5475 2117.7212 1920.7142 125.2347 -206459.0977 18049.0763 0.0000 0.0000 34337.3754 -149217.4284 299.8768 -183554.8037 -149112.0052 299.8614 216.1414 245.0874 556425.2269 15.2754 15.3786 PRESSURE: 2295400 20.0946 -62.5967 19.6377 -62.5972 -146.357 22.3859 19.6381 22.3875 243.529 GPRESSURE: 2295400 64.9953 -25.2951 -25.5715 -47.0006 -82.0859 15.4201 76.373 -1.73867 221.089 PRESSAVG: 2295400 -26.7577 15.553 -17.5186 15.553 50.8542 6.88273 -17.5187 6.88281 -26.1045 GPRESSAVG: 2295400 -25.021 15.8206 -17.9415 16.4078 48.0247 9.68131 -18.596 5.83069 -25.8384 TIMING: 2295400 CPU: 6852.02, 0.00297295/step Wall: 6852.02, 0.00297295/step, 2.23351 hours remaining, 207.796875 MB of memory in use. ENERGY: 2295400 724.7696 2099.0798 1967.1493 120.1044 -206124.3348 17749.5605 0.0000 0.0000 34194.3187 -149269.3524 298.6275 -183463.6711 -149167.5581 299.5239 39.0889 67.9995 556311.9957 -0.6693 -0.9449 PRESSURE: 2295600 88.001 -134.47 63.0078 -134.471 -125.24 129.81 63.0073 129.81 -17.8682 GPRESSURE: 2295600 110.854 -167.835 12.1377 -151.24 -64.1574 50.8037 109.093 138.404 -1.39483 PRESSAVG: 2295600 -28.858 46.7105 16.9366 46.7106 -2.31003 28.9685 16.9367 28.9685 51.7094 GPRESSAVG: 2295600 -30.4731 47.5214 19.79 45.9961 -1.79209 28.3507 18.1991 29.6881 52.0378 TIMING: 2295600 CPU: 6852.62, 0.00297866/step Wall: 6852.62, 0.00297866/step, 2.23763 hours remaining, 207.796875 MB of memory in use. ENERGY: 2295600 733.2989 2110.2307 1900.8218 112.3189 -206278.6649 17753.2519 0.0000 0.0000 34240.9547 -149427.7880 299.0348 -183668.7427 -149332.3998 299.1475 -18.3690 15.1007 556899.0470 6.8471 6.5909 PRESSURE: 2295800 154.719 -84.6881 155.738 -84.688 18.7571 19.2708 155.737 19.2713 211.046 GPRESSURE: 2295800 162.067 -73.7397 159.6 -64.7839 79.6048 15.6022 38.2856 25.8648 236.687 PRESSAVG: 2295800 -11.3812 -6.26497 32.1094 -6.26489 -42.2621 7.90963 32.1094 7.90973 62.0007 GPRESSAVG: 2295800 -10.5116 -8.61394 29.0447 -4.39545 -42.0822 5.76135 33.2533 5.84991 61.3106 TIMING: 2295800 CPU: 6853.22, 0.00298701/step Wall: 6853.22, 0.00298701/step, 2.24375 hours remaining, 207.796875 MB of memory in use. ENERGY: 2295800 712.8701 2071.9462 1919.7092 117.9614 -206578.2520 17994.0008 0.0000 0.0000 34159.1662 -149602.5981 298.3205 -183761.7643 -149509.1255 298.1203 128.1742 159.4530 556534.3097 2.7858 2.9056 PRESSURE: 2296000 53.9411 43.0792 -140.637 43.0785 56.7428 -21.7508 -140.637 -21.7513 -61.1206 GPRESSURE: 2296000 82.6428 -27.895 -189.206 148.23 25.4161 12.3993 -67.1267 7.99222 38.6925 PRESSAVG: 2296000 -10.1076 60.5747 -17.1407 60.5747 7.84866 -8.28975 -17.1408 -8.28979 3.55453 GPRESSAVG: 2296000 -10.681 63.5691 -18.0404 58.5756 6.28956 -7.71587 -15.3747 -5.94806 5.45346 TIMING: 2296000 CPU: 6853.81, 0.00297635/step Wall: 6853.81, 0.00297635/step, 2.23557 hours remaining, 207.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2296000 785.6448 2122.4460 1920.6394 113.9465 -206965.2501 18027.4392 0.0000 0.0000 34251.9914 -149743.1428 299.1312 -183995.1342 -149649.4147 297.4905 16.5211 48.9171 553861.7075 0.4318 0.3540 PRESSURE: 2296200 402.161 45.8718 30.8454 45.8718 53.8609 66.2775 30.8456 66.2785 -123.413 GPRESSURE: 2296200 401.939 97.7484 92.1655 62.092 118.038 91.5876 15.655 -48.2004 -97.6708 PRESSAVG: 2296200 128.426 62.1086 -8.48674 62.1086 -90.2597 16.8378 -8.48672 16.8379 -42.9499 GPRESSAVG: 2296200 127.904 59.2299 -4.81717 63.7249 -89.0673 17.764 -10.3041 16.5449 -43.3964 TIMING: 2296200 CPU: 6854.4, 0.0029682/step Wall: 6854.4, 0.0029682/step, 2.22928 hours remaining, 207.796875 MB of memory in use. ENERGY: 2296200 736.7880 2110.4887 1965.3641 123.2840 -206700.5199 17843.8671 0.0000 0.0000 34261.2883 -149659.4397 299.2124 -183920.7280 -149562.4029 298.3722 110.8696 140.7684 554657.7507 -1.5945 -1.5201 LDB: ============= START OF LOAD BALANCING ============== 6857.95 LDB: ============== END OF LOAD BALANCING =============== 6857.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6857.95 LDB: ============= START OF LOAD BALANCING ============== 6858.25 LDB: Largest compute 4773 load 0.027635 is 23.4% of average load 0.118280 LDB: Average compute 0.001724 is 1.5% of average load 0.118280 LDB: TIME 6858.26 LOAD: AVG 0.11828 MAX 0.203328 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.555 MB LDB: TIME 6858.26 LOAD: AVG 0.11828 MAX 0.203328 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.617 MB LDB: TIME 6858.26 LOAD: AVG 0.11828 MAX 0.203328 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6858.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6858.26 PRESSURE: 2296400 -28.4037 55.5942 -7.39149 55.5945 -121.776 55.1843 -7.39066 55.1839 151.844 GPRESSURE: 2296400 10.3673 55.5018 25.8705 16.4969 -141.551 17.7958 95.5566 80.4354 233.607 PRESSAVG: 2296400 74.0374 22.7794 4.06628 22.7794 -115.403 25.6681 4.0663 25.6681 9.18021 GPRESSAVG: 2296400 73.2069 25.0234 1.71698 20.1947 -114.717 25.629 2.60394 26.1442 9.54321 TIMING: 2296400 CPU: 6855.01, 0.0030377/step Wall: 6855.01, 0.0030377/step, 2.28131 hours remaining, 207.023438 MB of memory in use. ENERGY: 2296400 748.8587 2161.0412 1943.4724 110.2621 -206138.2197 17642.9378 0.0000 0.0000 34078.6347 -149453.0129 297.6172 -183531.6476 -149353.6805 298.1805 0.5546 34.1410 556196.7802 -10.7285 -10.6557 PRESSURE: 2296600 16.9833 -42.0038 3.12412 -42.0028 85.2228 158.145 3.12466 158.145 -68.3963 GPRESSURE: 2296600 75.0946 -4.83866 -12.3157 -65.1128 108.667 234.353 -4.12112 38.4033 -35.8952 PRESSAVG: 2296600 72.6092 -17.5471 37.742 -17.547 -63.7012 -18.0281 37.742 -18.028 40.4325 GPRESSAVG: 2296600 74.0504 -17.1603 38.1206 -17.4743 -63.9894 -17.6457 39.4437 -19.0218 40.0022 TIMING: 2296600 CPU: 6855.6, 0.002956/step Wall: 6855.6, 0.002956/step, 2.21979 hours remaining, 207.023438 MB of memory in use. ENERGY: 2296600 756.8742 2074.5607 1955.0249 112.3412 -206742.6763 18067.0675 0.0000 0.0000 34486.8907 -149289.9170 301.1826 -183776.8077 -149190.9804 298.8492 11.2699 49.2890 557104.8496 16.4469 16.6877 PRESSURE: 2296800 204.961 56.7091 40.437 56.7096 -194.279 140.567 40.4369 140.566 -185.239 GPRESSURE: 2296800 195.63 6.96067 19.8953 82.4958 -152.016 123.942 47.307 150.555 -143.551 PRESSAVG: 2296800 84.5235 21.6946 26.4185 21.6945 -33.6313 58.2852 26.4184 58.285 2.39274 GPRESSAVG: 2296800 84.1036 20.2203 27.6403 22.3856 -32.2475 58.6843 25.311 61.7013 2.08871 TIMING: 2296800 CPU: 6856.2, 0.00298016/step Wall: 6856.2, 0.00298016/step, 2.23777 hours remaining, 207.023438 MB of memory in use. ENERGY: 2296800 768.6650 2087.2127 1930.5268 126.8830 -206447.0196 17794.2099 0.0000 0.0000 34333.7353 -149405.7870 299.8450 -183739.5223 -149320.1159 299.6364 -58.1856 -33.3121 556736.2447 17.7617 17.9816 PRESSURE: 2297000 122.533 166.007 152.77 166.008 -89.4595 51.2877 152.77 51.2888 117.536 GPRESSURE: 2297000 100.191 179.328 29.7563 223.714 -19.2192 16.1911 177.951 50.0184 167.794 PRESSAVG: 2297000 44.5795 -2.64727 3.72478 -2.64729 -28.0856 41.8484 3.72482 41.8484 -34.7589 GPRESSAVG: 2297000 44.8278 -1.6295 0.613149 -1.87805 -29.0117 41.4484 6.68758 39.8237 -34.1848 TIMING: 2297000 CPU: 6856.79, 0.00297607/step Wall: 6856.79, 0.00297607/step, 2.23453 hours remaining, 207.023438 MB of memory in use. ENERGY: 2297000 747.0266 2113.3014 1959.6360 115.4598 -206330.4394 17794.6210 0.0000 0.0000 34333.1898 -149267.2048 299.8403 -183600.3946 -149168.4984 298.8500 50.2031 82.9219 557527.3281 -6.0883 -6.1229 PRESSURE: 2297200 -240.277 24.9099 114.488 24.9104 -103.536 -130.625 114.487 -130.625 124.05 GPRESSURE: 2297200 -160.328 -29.1401 60.9926 -11.7803 -83.9717 -146.425 60.5631 -71.2447 122.897 PRESSAVG: 2297200 -17.1177 -35.8395 69.968 -35.8395 10.5813 -43.7041 69.968 -43.7041 46.36 GPRESSAVG: 2297200 -17.3195 -38.3047 71.619 -35.4192 9.70639 -44.5784 68.1022 -42.0555 47.5527 TIMING: 2297200 CPU: 6857.39, 0.00296262/step Wall: 6857.39, 0.00296262/step, 2.22427 hours remaining, 207.023438 MB of memory in use. ENERGY: 2297200 765.1477 2110.8523 1929.8504 118.0575 -206249.5683 17722.0325 0.0000 0.0000 34435.8850 -149167.7429 300.7371 -183603.6279 -149067.9070 299.9757 -73.2545 -40.4676 556688.5213 13.2746 13.3132 PRESSURE: 2297400 -84.0627 -52.1444 12.0445 -52.1436 0.24777 -98.7421 12.0423 -98.7407 92.3725 GPRESSURE: 2297400 -26.3669 -168.277 -28.4451 21.8155 14.1934 -137.637 77.3174 -72.0155 121.587 PRESSAVG: 2297400 -48.4391 21.775 18.1274 21.7749 0.845769 4.42411 18.1273 4.42407 49.9982 GPRESSAVG: 2297400 -47.6656 22.704 19.3726 22.6953 0.682161 2.94713 18.2214 3.63003 49.755 TIMING: 2297400 CPU: 6857.98, 0.0029457/step Wall: 6857.98, 0.0029457/step, 2.2114 hours remaining, 207.023438 MB of memory in use. ENERGY: 2297400 730.7483 2132.0343 1917.7065 116.5079 -205763.4176 17621.4829 0.0000 0.0000 34005.4020 -149239.5357 296.9776 -183244.9377 -149140.0537 299.2272 2.8525 36.4711 557032.6194 0.8016 0.9239 PRESSURE: 2297600 214.021 89.7808 -185.375 89.7803 6.13838 -131.707 -185.375 -131.71 -250.377 GPRESSURE: 2297600 212.643 47.3809 -197.555 72.2624 68.6354 -73.9568 -141.953 -192.685 -208.503 PRESSAVG: 2297600 28.6362 32.4731 -10.2932 32.4731 36.6924 -47.1269 -10.2932 -47.1269 -86.5049 GPRESSAVG: 2297600 28.3014 32.4841 -10.3241 33.2036 37.8208 -44.0099 -10.4197 -48.6221 -86.8448 TIMING: 2297600 CPU: 6858.57, 0.00297116/step Wall: 6858.57, 0.00297116/step, 2.23035 hours remaining, 207.023438 MB of memory in use. ENERGY: 2297600 768.7270 2150.1475 1942.5690 115.7299 -206128.2616 17666.9342 0.0000 0.0000 34263.0151 -149221.1388 299.2274 -183484.1539 -149127.3358 299.0229 -10.0727 24.2583 556807.0940 -7.0587 -6.9075 PRESSURE: 2297800 41.4063 86.6038 78.6084 86.6034 -11.4459 11.0789 78.6086 11.0779 187.679 GPRESSURE: 2297800 52.6295 99.6323 39.863 49.6071 21.8363 21.3743 60.7375 27.1364 246.641 PRESSAVG: 2297800 -2.41437 -20.19 -29.8214 -20.19 25.8565 -8.49262 -29.8214 -8.4925 -7.5939 GPRESSAVG: 2297800 -2.89254 -19.9835 -31.3124 -20.3777 25.316 -8.46803 -29.6245 -8.11286 -6.68846 TIMING: 2297800 CPU: 6859.17, 0.00298282/step Wall: 6859.17, 0.00298282/step, 2.23894 hours remaining, 207.023438 MB of memory in use. ENERGY: 2297800 704.6105 2088.2824 1917.5691 111.6621 -206134.8969 17946.1035 0.0000 0.0000 34187.1846 -149179.4847 298.5652 -183366.6693 -149087.3177 299.0170 72.5466 107.0357 557773.9592 5.2827 5.2450 PRESSURE: 2298000 114.253 -12.4269 -87.0774 -12.4257 1.26732 77.3941 -87.0773 77.3936 276.282 GPRESSURE: 2298000 158.516 -20.5597 -52.427 29.9892 57.7805 98.8022 -111.055 19.9525 269.11 PRESSAVG: 2298000 4.45369 -21.2537 -50.2438 -21.2536 -12.7919 -30.1179 -50.2437 -30.1178 2.47261 GPRESSAVG: 2298000 4.40921 -21.3509 -49.6817 -21.8938 -13.5908 -30.0389 -49.0248 -29.0388 3.33381 TIMING: 2298000 CPU: 6859.76, 0.00296907/step Wall: 6859.76, 0.00296907/step, 2.22845 hours remaining, 207.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2298000 740.9044 2083.8479 1934.7205 115.4989 -206663.0393 18098.2464 0.0000 0.0000 34529.3067 -149160.5146 301.5530 -183689.8213 -149064.4589 299.4691 130.6008 161.8022 557665.4661 -1.9552 -1.9492 PRESSURE: 2298200 -5.14455 -12.8695 -70.1741 -12.8696 -249.621 -116.247 -70.1747 -116.247 17.1889 GPRESSURE: 2298200 17.3778 60.371 19.9195 58.7323 -183.447 -150.581 -88.0337 -37.9542 39.5634 PRESSAVG: 2298200 68.7475 -18.4012 -34.0434 -18.4012 -30.3831 -46.7799 -34.0433 -46.7798 14.9196 GPRESSAVG: 2298200 69.2403 -17.7893 -32.2564 -18.0581 -30.7292 -45.314 -34.2042 -49.3828 14.1762 TIMING: 2298200 CPU: 6860.36, 0.002987/step Wall: 6860.36, 0.002987/step, 2.24174 hours remaining, 207.023438 MB of memory in use. ENERGY: 2298200 750.7336 2047.3017 1926.9940 98.4364 -206431.2720 17825.6627 0.0000 0.0000 34383.3742 -149398.7694 300.2786 -183782.1436 -149299.7968 299.0843 -79.1921 -42.1687 557192.0777 17.7613 17.5624 PRESSURE: 2298400 47.6423 180.782 200.372 180.783 -177.335 -67.0626 200.373 -67.0627 -16.7589 GPRESSURE: 2298400 50.8704 164.866 203.678 215.998 -124.285 -15.4881 212.035 -142.242 15.4413 PRESSAVG: 2298400 53.2369 -0.574484 4.7624 -0.574466 -24.9108 -6.24252 4.76242 -6.24257 -16.9766 GPRESSAVG: 2298400 52.9404 -4.12757 5.30636 0.201143 -24.5302 -6.30425 3.30943 -4.19493 -17.259 TIMING: 2298400 CPU: 6860.96, 0.00298873/step Wall: 6860.96, 0.00298873/step, 2.24288 hours remaining, 207.023438 MB of memory in use. ENERGY: 2298400 720.6662 2086.2137 1928.0747 109.3089 -205993.4430 17683.0952 0.0000 0.0000 34194.7200 -149271.3643 298.6310 -183466.0844 -149179.6753 298.7992 -48.8171 -19.3246 557295.5787 3.7831 3.7171 PRESSURE: 2298600 -183.072 178.488 -106.587 178.489 -1.9807 90.9547 -106.588 90.9539 -0.935295 GPRESSURE: 2298600 -157.733 84.0208 -151.861 199.714 5.8301 108.772 -132.942 44.0845 64.9522 PRESSAVG: 2298600 -5.62063 37.5864 -26.4601 37.5863 -48.9931 30.8677 -26.46 30.8677 34.8269 GPRESSAVG: 2298600 -6.02946 40.0311 -28.6132 35.6108 -47.7079 28.7932 -25.696 31.2042 33.5218 TIMING: 2298600 CPU: 6861.55, 0.00295744/step Wall: 6861.55, 0.00295744/step, 2.21923 hours remaining, 207.023438 MB of memory in use. ENERGY: 2298600 744.1731 2055.4976 1911.5117 102.4374 -205793.9365 17682.1255 0.0000 0.0000 34113.9553 -149184.2360 297.9257 -183298.1913 -149086.3953 299.3827 -61.9960 -28.9835 558043.8415 -6.5956 -6.7385 PRESSURE: 2298800 -60.8411 119.248 -51.256 119.248 -251.853 46.8549 -51.2557 46.8555 33.4521 GPRESSURE: 2298800 27.6202 137.666 -0.282644 96.8147 -235.5 71.0294 -108.552 -20.1696 33.5184 PRESSAVG: 2298800 -88.8914 59.182 -48.4157 59.182 -16.6644 24.7844 -48.4157 24.7845 50.1917 GPRESSAVG: 2298800 -88.3281 56.7178 -48.4733 61.2709 -16.635 24.6535 -49.9265 25.5537 49.5193 TIMING: 2298800 CPU: 6862.14, 0.00298397/step Wall: 6862.14, 0.00298397/step, 2.23897 hours remaining, 207.023438 MB of memory in use. ENERGY: 2298800 776.5699 2105.4877 1928.6216 110.2319 -206093.7505 17856.7160 0.0000 0.0000 34156.2478 -149159.8756 298.2950 -183316.1234 -149056.8783 299.3826 -93.0808 -58.1205 558385.9544 -18.4547 -18.4812 PRESSURE: 2299000 -59.8914 -54.2968 -103.648 -54.2977 -61.108 -175.549 -103.648 -175.55 -33.4233 GPRESSURE: 2299000 -75.6845 -87.4291 -120.552 2.95758 -40.6867 -147.494 -164.271 -180.844 53.8853 PRESSAVG: 2299000 -7.72144 1.75949 -37.1594 1.75954 0.955614 -48.4239 -37.1594 -48.4239 -7.82607 GPRESSAVG: 2299000 -8.06412 4.0495 -35.9906 -1.02249 0.374458 -47.3648 -36.2439 -49.5323 -7.1991 TIMING: 2299000 CPU: 6862.74, 0.00295784/step Wall: 6862.74, 0.00295784/step, 2.2192 hours remaining, 207.023438 MB of memory in use. ENERGY: 2299000 714.5335 2086.3930 1947.2642 106.3465 -205750.9827 17585.9481 0.0000 0.0000 34087.8019 -149222.6955 297.6973 -183310.4974 -149130.2110 299.3146 -51.4742 -20.8286 557335.3690 -4.8640 -4.9629 PRESSURE: 2299200 231.157 -28.0419 -68.4826 -28.0418 49.0652 -16.5946 -68.481 -16.5945 156.261 GPRESSURE: 2299200 207.527 -23.1916 -192.892 4.04767 86.0092 -95.2022 4.70143 36.5558 232.107 PRESSAVG: 2299200 40.7932 66.694 22.3105 66.694 -66.2127 -42.1897 22.3107 -42.1898 58.7 GPRESSAVG: 2299200 40.5719 68.5406 22.2718 65.648 -67.0084 -41.7704 21.1842 -41.6893 59.452 TIMING: 2299200 CPU: 6863.33, 0.00295102/step Wall: 6863.33, 0.00295102/step, 2.21392 hours remaining, 207.023438 MB of memory in use. ENERGY: 2299200 672.0657 2094.6721 1931.3988 117.3811 -206496.1191 17917.9943 0.0000 0.0000 34501.0057 -149261.6015 301.3059 -183762.6072 -149169.0438 299.2660 145.4943 175.2143 556860.4496 11.0935 11.0052 PRESSURE: 2299400 12.482 125.714 -32.1336 125.713 50.1479 -21.4106 -32.1329 -21.4111 -31.6487 GPRESSURE: 2299400 53.1619 145.261 78.2115 31.2322 66.099 22.2985 -12.959 14.141 3.36263 PRESSAVG: 2299400 -15.5648 42.0025 -7.75845 42.0025 -22.2667 -18.2711 -7.75844 -18.2712 -24.8076 GPRESSAVG: 2299400 -15.7348 40.9027 -8.60926 43.8925 -22.2788 -17.175 -6.49925 -19.9064 -24.3982 TIMING: 2299400 CPU: 6863.93, 0.00300329/step Wall: 6863.93, 0.00300329/step, 2.25297 hours remaining, 207.023438 MB of memory in use. ENERGY: 2299400 737.4904 2078.7146 1987.0654 112.4703 -206047.6971 17704.4265 0.0000 0.0000 34217.2833 -149210.2466 298.8280 -183427.5298 -149111.0870 298.8065 10.3270 40.8745 557485.1605 -20.8797 -20.8039 PRESSURE: 2299600 -118.535 45.1849 -13.7132 45.186 -13.1004 53.4394 -13.7129 53.4388 -75.9319 GPRESSURE: 2299600 -85.0277 19.1777 -64.825 0.154822 -16.23 51.7103 -22.8487 -10.7174 -16.9183 PRESSAVG: 2299600 -10.168 0.541447 14.9462 0.541411 35.3005 16.6529 14.9462 16.6529 20.0534 GPRESSAVG: 2299600 -8.66979 -0.786347 15.2797 0.430148 35.5439 14.8675 14.9703 18.5213 18.108 TIMING: 2299600 CPU: 6864.52, 0.00296333/step Wall: 6864.52, 0.00296333/step, 2.22282 hours remaining, 207.023438 MB of memory in use. ENERGY: 2299600 732.2134 2104.5764 1952.8724 118.8546 -205933.4106 17579.4744 0.0000 0.0000 34202.5260 -149242.8935 298.6992 -183445.4195 -149145.8555 299.5455 -69.1890 -39.3920 557695.8807 15.0620 14.9940 PRESSURE: 2299800 92.4649 108.71 155.179 108.71 121.491 67.8711 155.18 67.8717 209.868 GPRESSURE: 2299800 109.952 85.513 270.534 32.3047 136.968 51.4623 122.935 46.9319 275.087 PRESSAVG: 2299800 61.6632 -47.6466 21.9717 -47.6466 -92.2379 14.4823 21.9716 14.4823 50.6722 GPRESSAVG: 2299800 60.252 -47.1705 22.9298 -46.9499 -92.2481 13.7396 19.2649 14.2325 52.0543 TIMING: 2299800 CPU: 6865.11, 0.00295278/step Wall: 6865.11, 0.00295278/step, 2.21475 hours remaining, 207.023438 MB of memory in use. ENERGY: 2299800 708.7360 2081.0756 1940.9629 126.5487 -206688.4195 18108.5958 0.0000 0.0000 34281.8990 -149440.6016 299.3924 -183722.5006 -149344.6260 299.0058 141.2746 174.0023 557114.8572 6.6992 6.6861 PRESSURE: 2300000 -254.166 -207.179 88.7385 -207.18 -81.9002 -57.8332 88.7374 -57.833 -5.80799 GPRESSURE: 2300000 -187.891 -261.493 200.175 -149.741 -64.2335 -106.562 127.109 -57.9724 20.8691 PRESSAVG: 2300000 -42.6605 10.0945 22.6198 10.0944 -21.0442 -28.3312 22.6197 -28.3312 21.4011 GPRESSAVG: 2300000 -43.0975 10.2285 22.4168 8.1646 -20.0555 -29.0566 25.4918 -27.1349 21.3992 TIMING: 2300000 CPU: 6865.7, 0.00295778/step Wall: 6865.7, 0.00295778/step, 2.21833 hours remaining, 207.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2300000 729.0991 2072.4930 1919.7009 112.0344 -206295.4526 17689.1948 0.0000 0.0000 34259.0001 -149513.9304 299.1924 -183772.9305 -149429.0522 298.3660 -113.9581 -77.0851 558405.0216 -14.1012 -13.9179 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2300000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 2300000 WRITING COORDINATES TO RESTART FILE AT STEP 2300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2300200 55.7604 63.4453 22.4293 63.446 389.546 -99.1594 22.4284 -99.16 94.6643 GPRESSURE: 2300200 49.0871 11.6898 100.034 104.169 415.822 -53.0617 64.4876 -118.818 169.523 PRESSAVG: 2300200 -44.8694 -35.7047 -11.5481 -35.7047 69.0677 30.4354 -11.5482 30.4354 -61.517 GPRESSAVG: 2300200 -44.5293 -34.9946 -11.3993 -33.7411 68.4307 30.6286 -11.8398 27.3183 -61.2515 TIMING: 2300200 CPU: 6866.32, 0.0030864/step Wall: 6866.32, 0.0030864/step, 2.31463 hours remaining, 207.023438 MB of memory in use. ENERGY: 2300200 740.2472 2045.0962 1931.1383 107.8016 -206689.3290 18089.5677 0.0000 0.0000 34342.9085 -149432.5696 299.9252 -183775.4781 -149330.8321 298.3112 179.9900 211.4772 556847.0458 -12.4396 -12.4500 LDB: ============= START OF LOAD BALANCING ============== 6869.87 LDB: ============== END OF LOAD BALANCING =============== 6869.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6869.87 LDB: ============= START OF LOAD BALANCING ============== 6870.17 LDB: Largest compute 4773 load 0.028999 is 24.5% of average load 0.118271 LDB: Average compute 0.001728 is 1.5% of average load 0.118271 LDB: TIME 6870.17 LOAD: AVG 0.118271 MAX 0.205467 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.215 MB LDB: TIME 6870.17 LOAD: AVG 0.118271 MAX 0.205467 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.219 MB LDB: TIME 6870.17 LOAD: AVG 0.118271 MAX 0.205467 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.219 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6870.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6870.17 PRESSURE: 2300400 -461.268 58.0736 -87.5367 58.0735 -371.696 80.806 -87.5365 80.8063 -194.701 GPRESSURE: 2300400 -465.17 107.348 -85.0334 5.36623 -341.387 123.814 -185.814 81.5179 -126.371 PRESSAVG: 2300400 -16.7033 -28.3847 17.0274 -28.3847 -52.6294 7.89278 17.0273 7.89277 25.9097 GPRESSAVG: 2300400 -16.1155 -29.4078 16.5401 -30.4245 -52.8512 7.41362 15.8623 8.11752 25.4008 TIMING: 2300400 CPU: 6866.92, 0.00302693/step Wall: 6866.92, 0.00302693/step, 2.26986 hours remaining, 209.468750 MB of memory in use. ENERGY: 2300400 791.8377 2052.6272 1929.6033 108.8446 -205759.3686 17299.6812 0.0000 0.0000 34053.4581 -149523.3166 297.3973 -183576.7747 -149430.3899 298.5977 -342.5549 -310.9760 557589.6704 -14.4743 -14.5220 PRESSURE: 2300600 94.6808 55.2685 75.5728 55.2687 -25.0852 -74.9567 75.5729 -74.9564 309.601 GPRESSURE: 2300600 174.113 37.7264 113.301 -4.55551 -39.5191 -20.5927 104.13 -152.937 341.096 PRESSAVG: 2300600 -53.5891 -9.24198 14.9574 -9.24201 -23.6602 11.6151 14.9573 11.6152 71.9732 GPRESSAVG: 2300600 -53.3667 -10.4227 14.8205 -7.57893 -23.7466 13.8545 16.9667 13.8508 71.7081 TIMING: 2300600 CPU: 6867.52, 0.00297712/step Wall: 6867.52, 0.00297712/step, 2.23234 hours remaining, 209.468750 MB of memory in use. ENERGY: 2300600 740.6681 2070.2298 1922.3228 118.7402 -206376.9088 17990.7045 0.0000 0.0000 33971.9809 -149562.2626 296.6858 -183534.2434 -149471.8508 297.6657 126.3988 158.5633 555781.7068 -1.7587 -1.8018 PRESSURE: 2300800 -320.446 190.637 218.781 190.636 69.5757 99.8362 218.781 99.8343 -86.4518 GPRESSURE: 2300800 -337.574 125.671 144.673 152.319 133.524 111.846 234.55 91.4949 -20.3286 PRESSAVG: 2300800 -71.0642 16.6781 22.1561 16.6781 37.4011 40.6138 22.1561 40.6138 -40.365 GPRESSAVG: 2300800 -71.827 16.3346 21.6072 17.2108 36.4119 40.2003 20.4986 38.6074 -38.6918 TIMING: 2300800 CPU: 6868.12, 0.00300008/step Wall: 6868.12, 0.00300008/step, 2.2494 hours remaining, 209.468750 MB of memory in use. ENERGY: 2300800 759.7682 2001.7541 1930.6215 123.0508 -206040.4697 17734.1599 0.0000 0.0000 34086.3684 -149404.7468 297.6847 -183491.1152 -149303.6742 298.0032 -112.4406 -74.7926 557393.4550 -24.6760 -24.7023 PRESSURE: 2301000 53.316 13.5832 -103.585 13.5828 118.202 -26.6351 -103.585 -26.6354 -71.8222 GPRESSURE: 2301000 40.3863 95.6988 -3.38573 130.51 210.764 -79.5336 -202.979 19.5647 -54.2126 PRESSAVG: 2301000 1.05839 -29.8089 22.1076 -29.809 -6.66806 37.1784 22.1076 37.1784 4.10859 GPRESSAVG: 2301000 -0.357368 -27.3365 24.0318 -30.1004 -4.74424 37.0369 24.2686 38.5123 4.03294 TIMING: 2301000 CPU: 6868.72, 0.00298313/step Wall: 6868.72, 0.00298313/step, 2.23652 hours remaining, 209.468750 MB of memory in use. ENERGY: 2301000 740.3740 2058.9275 1949.7007 116.1007 -205972.8402 17788.4430 0.0000 0.0000 34114.7846 -149204.5098 297.9329 -183319.2943 -149107.9222 298.3514 33.2318 65.6458 556057.8762 -0.5004 -0.3562 PRESSURE: 2301200 -168.449 -105.462 64.7729 -105.461 -143.055 -72.0513 64.7727 -72.0522 -61.9312 GPRESSURE: 2301200 -87.2319 -44.2901 18.3548 -170.839 -250.778 -78.5549 59.8994 -59.8184 53.0621 PRESSAVG: 2301200 -48.0774 -7.16528 13.778 -7.16527 53.4752 23.6556 13.7779 23.6556 -13.0605 GPRESSAVG: 2301200 -45.7613 -9.75594 13.432 -8.17887 51.0705 25.0387 13.6688 22.4964 -13.3272 TIMING: 2301200 CPU: 6869.31, 0.00297115/step Wall: 6869.31, 0.00297115/step, 2.22737 hours remaining, 209.468750 MB of memory in use. ENERGY: 2301200 756.8349 2091.5011 1931.8759 114.7721 -206258.2106 17709.3479 0.0000 0.0000 34375.7778 -149278.1010 300.2122 -183653.8787 -149178.7202 299.1088 -124.4787 -94.9827 556513.1030 -2.5542 -2.6727 PRESSURE: 2301400 -63.3776 32.9108 -67.1749 32.9109 47.4642 -135.789 -67.1746 -135.79 -214.554 GPRESSURE: 2301400 11.7145 -69.3724 -117.133 60.6567 37.7701 -80.2158 -51.3806 -48.145 -187.599 PRESSAVG: 2301400 76.8657 -57.5928 3.79972 -57.5929 -35.4576 -60.8557 3.79976 -60.8556 -12.5083 GPRESSAVG: 2301400 76.2497 -56.2558 4.21252 -57.6546 -33.7703 -59.4523 2.40724 -60.8413 -13.4685 TIMING: 2301400 CPU: 6869.9, 0.00294169/step Wall: 6869.9, 0.00294169/step, 2.20513 hours remaining, 209.468750 MB of memory in use. ENERGY: 2301400 762.4136 2113.2335 1949.4348 101.1978 -206513.4421 17789.7640 0.0000 0.0000 34466.9527 -149330.4457 301.0085 -183797.3984 -149226.0692 299.2429 -76.8225 -46.0382 557094.0908 9.6333 9.6703 PRESSURE: 2301600 -3.62542 -70.9396 83.5871 -70.9406 -333.608 6.62319 83.589 6.62371 -60.0091 GPRESSURE: 2301600 -21.3941 -138.134 154.484 -83.7994 -262.93 33.347 -1.01368 28.1741 -32.9368 PRESSAVG: 2301600 28.4809 -12.9333 7.80664 -12.9333 -33.6016 48.252 7.80671 48.2521 -22.9489 GPRESSAVG: 2301600 27.7882 -12.402 6.92887 -14.401 -34.526 45.9194 6.99838 49.9664 -21.3883 TIMING: 2301600 CPU: 6870.49, 0.00295553/step Wall: 6870.49, 0.00295553/step, 2.21533 hours remaining, 209.769531 MB of memory in use. ENERGY: 2301600 775.5240 2107.1497 1908.1974 113.7135 -206254.1924 17759.4120 0.0000 0.0000 34152.8397 -149437.3561 298.2652 -183590.1958 -149353.2897 298.7775 -132.4142 -105.7536 557452.4772 -9.3565 -9.3753 PRESSURE: 2301800 -105.85 -0.619678 140.563 -0.620669 -143.508 -17.1855 140.562 -17.1854 125.362 GPRESSURE: 2301800 -65.9048 -43.1142 172.338 5.18252 -126.321 -34.7636 101.707 -21.1972 157.373 PRESSAVG: 2301800 -25.3721 3.88094 34.8355 3.881 -37.5525 9.06405 34.8355 9.06401 44.2857 GPRESSAVG: 2301800 -25.1342 3.01929 34.4251 5.8272 -38.1853 8.37941 35.0943 9.14063 44.9159 TIMING: 2301800 CPU: 6871.08, 0.00294891/step Wall: 6871.08, 0.00294891/step, 2.21021 hours remaining, 209.769531 MB of memory in use. ENERGY: 2301800 740.7280 2026.8592 1966.4194 119.8844 -206444.3953 17804.5687 0.0000 0.0000 34328.2084 -149457.7270 299.7968 -183785.9354 -149361.0895 298.7694 -41.3319 -11.6176 557524.2657 -6.2130 -6.1346 PRESSURE: 2302000 -103.058 98.854 3.03512 98.8547 -243.457 -93.878 3.0356 -93.8793 196.725 GPRESSURE: 2302000 -22.3119 131.158 32.6486 103.2 -205.108 -15.8556 -50.9532 -137.609 166.257 PRESSAVG: 2302000 -52.298 54.6446 -15.7321 54.6446 -49.706 4.20402 -15.7321 4.20406 86.8282 GPRESSAVG: 2302000 -52.3111 54.7278 -14.8942 54.1494 -49.1929 6.81605 -15.4925 0.980453 86.3008 TIMING: 2302000 CPU: 6871.68, 0.00298209/step Wall: 6871.68, 0.00298209/step, 2.23491 hours remaining, 209.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2302000 723.1189 2057.5053 1925.7834 116.2073 -205761.3486 17493.2311 0.0000 0.0000 33992.2969 -149453.2056 296.8632 -183445.5026 -149353.9512 298.5806 -49.9301 -20.3877 556992.5629 -5.0586 -5.0677 PRESSURE: 2302200 167.071 39.849 -159.451 39.848 186.229 47.3083 -159.451 47.3085 -8.85159 GPRESSURE: 2302200 176.54 -26.1717 -60.4724 33.6134 176.028 58.6875 -219.48 79.7095 87.9526 PRESSAVG: 2302200 -43.5408 20.6965 -33.1986 20.6965 -50.0239 -26.6552 -33.1986 -26.6552 86.3424 GPRESSAVG: 2302200 -42.8484 21.0634 -34.7562 21.9662 -49.4445 -27.6001 -31.6846 -24.8042 85.1915 TIMING: 2302200 CPU: 6872.28, 0.00300279/step Wall: 6872.28, 0.00300279/step, 2.25026 hours remaining, 209.902344 MB of memory in use. ENERGY: 2302200 757.7909 2037.4205 1922.4679 119.0439 -206334.3529 18046.0401 0.0000 0.0000 34266.3067 -149185.2827 299.2562 -183451.5895 -149094.1694 299.2149 114.8164 146.8400 557190.8679 -2.4074 -2.3671 PRESSURE: 2302400 -147.497 60.271 162.694 60.2702 -229.27 -55.4965 162.695 -55.4984 -91.6493 GPRESSURE: 2302400 -131.447 83.3375 196.596 61.2762 -157.8 -36.8677 119.078 -67.3588 -68.0561 PRESSAVG: 2302400 -29.2374 -7.09064 -2.97796 -7.09064 38.8285 5.0088 -2.97791 5.00865 26.9847 GPRESSAVG: 2302400 -30.631 -6.43998 -0.865803 -7.73473 39.2002 4.97058 -5.38186 5.63743 27.488 TIMING: 2302400 CPU: 6872.87, 0.00298211/step Wall: 6872.87, 0.00298211/step, 2.2346 hours remaining, 209.902344 MB of memory in use. ENERGY: 2302400 795.5162 2009.2810 1932.0086 105.0598 -206058.2683 17642.7259 0.0000 0.0000 34323.0515 -149250.6252 299.7517 -183573.6767 -149143.4863 299.2033 -156.1388 -119.1011 558181.1676 12.1919 12.0191 PRESSURE: 2302600 14.629 -94.048 20.8444 -94.0477 -167.3 105.861 20.8456 105.86 -237.432 GPRESSURE: 2302600 1.07045 25.6544 40.5047 -117.243 -142.168 76.9055 -14.5747 142.98 -162.666 PRESSAVG: 2302600 -47.4155 -35.9957 42.7268 -35.9958 -30.1674 45.3798 42.7267 45.3798 50.6322 GPRESSAVG: 2302600 -46.1581 -35.3135 42.1721 -37.4106 -31.9689 46.1528 44.0226 44.1539 50.6256 TIMING: 2302600 CPU: 6873.47, 0.00299153/step Wall: 6873.47, 0.00299153/step, 2.24149 hours remaining, 209.902344 MB of memory in use. ENERGY: 2302600 770.4920 2101.3959 1941.5897 119.9092 -205665.3747 17488.9272 0.0000 0.0000 34042.4693 -149200.5915 297.3014 -183243.0608 -149102.9770 299.6024 -130.0341 -101.2545 558456.0221 -8.9836 -9.1671 PRESSURE: 2302800 134.99 -54.7611 -144.199 -54.7593 140.792 54.0177 -144.197 54.0174 -93.5677 GPRESSURE: 2302800 129.945 0.86715 -92.7054 -53.001 180.086 6.10891 -166.951 14.0193 -39.8813 PRESSAVG: 2302800 -50.5494 -3.21973 16.9329 -3.2197 -17.6341 -0.106654 16.9329 -0.106753 53.8865 GPRESSAVG: 2302800 -51.4861 -5.60212 16.5236 -0.588076 -16.184 -0.783732 17.2975 3.41454 52.899 TIMING: 2302800 CPU: 6874.06, 0.0029658/step Wall: 6874.06, 0.0029658/step, 2.22204 hours remaining, 209.902344 MB of memory in use. ENERGY: 2302800 725.5343 2148.5006 1964.2794 108.5419 -206629.2667 18061.2092 0.0000 0.0000 34244.9593 -149376.2419 299.0697 -183621.2013 -149272.7505 299.2067 60.7381 90.0499 556965.7022 -4.7657 -4.9237 PRESSURE: 2303000 166.573 -84.3794 -120.197 -84.3782 -221.908 92.4827 -120.198 92.4831 74.5055 GPRESSURE: 2303000 199.376 -74.1097 -175.735 -92.9264 -163.779 113.661 -81.5691 80.7366 95.3676 PRESSAVG: 2303000 25.9969 -62.3844 -5.92143 -62.3845 -34.6772 26.4758 -5.92145 26.4757 44.9391 GPRESSAVG: 2303000 27.107 -62.5977 -4.04847 -62.298 -36.4631 27.4149 -7.36635 22.6739 45.5125 TIMING: 2303000 CPU: 6874.66, 0.00296408/step Wall: 6874.66, 0.00296408/step, 2.22059 hours remaining, 209.902344 MB of memory in use. ENERGY: 2303000 748.0118 2127.6400 1907.0652 118.8222 -206707.2688 18095.6898 0.0000 0.0000 34409.1798 -149300.8600 300.5039 -183710.0398 -149206.9279 299.2893 6.3900 43.6549 558961.6911 12.0863 12.0522 PRESSURE: 2303200 -71.9339 -24.556 -82.1073 -24.5549 -29.2345 -142.309 -82.1088 -142.31 -123.94 GPRESSURE: 2303200 -6.07158 -3.75512 -112.399 -6.44021 31.5744 -194.339 -85.2618 -119.474 -155.406 PRESSAVG: 2303200 -13.0822 15.3905 -18.5318 15.3904 -19.4867 39.7532 -18.5318 39.7531 19.3572 GPRESSAVG: 2303200 -14.0396 18.4635 -19.2032 14.5011 -18.3799 40.0443 -19.1903 40.7174 18.8324 TIMING: 2303200 CPU: 6875.26, 0.00299159/step Wall: 6875.26, 0.00299159/step, 2.24103 hours remaining, 209.902344 MB of memory in use. ENERGY: 2303200 728.1487 2030.3042 1942.4114 107.6956 -205956.0856 17534.7317 0.0000 0.0000 34235.5220 -149377.2721 298.9873 -183612.7941 -149281.2485 299.1960 -75.0361 -43.3009 557488.7734 -4.4039 -4.5290 PRESSURE: 2303400 -124.509 -24.7498 -149.642 -24.7513 -115.766 138.019 -149.643 138.021 -172.119 GPRESSURE: 2303400 -92.8449 -11.6642 -132.177 -6.62957 -128.758 139.704 -145.405 119.454 -98.6264 PRESSAVG: 2303400 -105.721 -39.6088 -34.2934 -39.6088 35.903 8.09701 -34.2935 8.09695 83.0004 GPRESSAVG: 2303400 -106.195 -40.5021 -36.4752 -41.3284 35.3613 7.00458 -31.5149 9.42436 83.064 TIMING: 2303400 CPU: 6875.85, 0.00297184/step Wall: 6875.85, 0.00297184/step, 2.22607 hours remaining, 209.902344 MB of memory in use. ENERGY: 2303400 715.5003 2058.8919 1905.7771 115.2162 -205821.9048 17487.6178 0.0000 0.0000 34209.4295 -149329.4721 298.7595 -183538.9015 -149226.3720 299.4390 -137.4650 -106.7431 558115.3680 4.3942 4.0768 PRESSURE: 2303600 79.4496 59.3763 -108.305 59.3757 61.466 173.543 -108.304 173.543 -15.6096 GPRESSURE: 2303600 51.7924 -10.4851 -109.869 91.2916 126.763 226.994 -85.4586 45.4479 33.9609 PRESSAVG: 2303600 9.61673 -34.3436 -14.04 -34.3437 -9.90573 -31.0955 -14.0399 -31.0955 -31.5216 GPRESSAVG: 2303600 9.8011 -34.0549 -12.0006 -33.469 -8.79671 -31.6258 -15.6323 -31.3677 -32.513 TIMING: 2303600 CPU: 6876.44, 0.00294443/step Wall: 6876.44, 0.00294444/step, 2.20538 hours remaining, 209.902344 MB of memory in use. ENERGY: 2303600 735.0263 2029.8552 1941.0674 114.9981 -206366.3173 17912.4874 0.0000 0.0000 34284.2231 -149348.6598 299.4126 -183632.8829 -149256.6682 299.6335 41.7687 70.8387 557154.2642 -10.6035 -10.5029 PRESSURE: 2303800 -141.16 -121.15 116.8 -121.15 -28.9934 36.3959 116.8 36.3969 24.588 GPRESSURE: 2303800 -68.0461 -144.194 172.964 -128.19 -49.7314 46.2484 179.569 38.8832 57.3207 PRESSAVG: 2303800 49.7929 -19.3458 -34.4559 -19.3458 -64.6398 -32.6418 -34.456 -32.6418 -10.5006 GPRESSAVG: 2303800 48.425 -18.5106 -36.4274 -18.6631 -65.656 -32.314 -32.9202 -32.799 -8.01029 TIMING: 2303800 CPU: 6877.03, 0.00295778/step Wall: 6877.03, 0.00295778/step, 2.21521 hours remaining, 209.902344 MB of memory in use. ENERGY: 2303800 776.0570 2100.1902 1923.7939 110.2932 -206258.4440 17647.3014 0.0000 0.0000 34245.2759 -149455.5325 299.0725 -183700.8083 -149354.1015 299.0173 -48.5218 -20.1523 556307.5181 -8.4491 -8.4138 PRESSURE: 2304000 314.545 115.068 48.2609 115.068 239.683 60.2896 48.2612 60.2892 -56.7581 GPRESSURE: 2304000 374.082 127.773 -73.1107 69.3753 227.358 -9.18374 89.7593 88.7813 -4.39122 PRESSAVG: 2304000 38.0136 30.0313 26.7219 30.0313 8.05768 17.7089 26.7219 17.7088 -17.2268 GPRESSAVG: 2304000 39.4497 28.6175 27.8003 29.7558 8.04877 16.5243 25.6119 19.8043 -18.8936 TIMING: 2304000 CPU: 6877.63, 0.00298503/step Wall: 6877.63, 0.00298503/step, 2.23545 hours remaining, 209.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2304000 735.1333 2099.8048 1920.0068 110.6033 -206456.4176 18159.5270 0.0000 0.0000 33993.5257 -149437.8167 296.8739 -183431.3424 -149338.5706 299.2608 165.8232 199.0161 558099.9744 9.6148 9.5350 PRESSURE: 2304200 42.3629 -29.8404 -41.9886 -29.8414 60.5946 30.8238 -41.9889 30.8233 -0.797985 GPRESSURE: 2304200 75.0225 -47.1636 -22.2431 -38.3633 139.597 5.89932 4.81609 32.6434 -16.6716 PRESSAVG: 2304200 -13.9147 -3.8464 -6.1738 -3.84641 -15.7575 -40.5039 -6.17367 -40.5039 42.0625 GPRESSAVG: 2304200 -13.6646 -3.64069 -7.08127 -2.5694 -15.1929 -37.8501 -8.13775 -43.7991 41.4712 TIMING: 2304200 CPU: 6878.22, 0.00298328/step Wall: 6878.22, 0.00298328/step, 2.23398 hours remaining, 209.902344 MB of memory in use. ENERGY: 2304200 735.4656 2055.9120 1921.9387 106.4430 -206492.1361 17941.6019 0.0000 0.0000 34185.3901 -149545.3848 298.5495 -183730.7749 -149449.2860 298.6522 34.0532 65.9825 558203.3354 4.1301 4.2046 LDB: ============= START OF LOAD BALANCING ============== 6881.77 LDB: ============== END OF LOAD BALANCING =============== 6881.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6881.77 LDB: ============= START OF LOAD BALANCING ============== 6882.07 LDB: Largest compute 4773 load 0.029721 is 25.1% of average load 0.118276 LDB: Average compute 0.001725 is 1.5% of average load 0.118276 LDB: TIME 6882.07 LOAD: AVG 0.118276 MAX 0.205529 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 6882.07 LOAD: AVG 0.118276 MAX 0.205529 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206 MB LDB: TIME 6882.08 LOAD: AVG 0.118276 MAX 0.205529 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206 MB LDB: ============== END OF LOAD BALANCING =============== 6882.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6882.08 PRESSURE: 2304400 89.4593 37.5407 -109.549 37.5393 194.675 28.0654 -109.548 28.0668 80.6483 GPRESSURE: 2304400 130.732 65.5221 -35.697 150.035 227.723 -27.6417 -54.6394 -20.6739 106.775 PRESSAVG: 2304400 27.6729 18.5226 -45.2314 18.5226 17.3476 -28.5107 -45.2314 -28.5107 -86.1384 GPRESSAVG: 2304400 28.0938 19.8624 -45.4668 17.0583 17.174 -29.1827 -43.2065 -25.7934 -86.4745 TIMING: 2304400 CPU: 6878.83, 0.0030346/step Wall: 6878.83, 0.0030346/step, 2.27224 hours remaining, 207.542969 MB of memory in use. ENERGY: 2304400 697.7896 2002.8032 1953.3151 112.1637 -206398.2826 18076.0951 0.0000 0.0000 34085.9061 -149470.2098 297.6807 -183556.1159 -149375.0309 297.8635 121.5943 155.0765 559183.3770 -13.7060 -13.7355 PRESSURE: 2304600 4.90677 -36.2813 -14.2801 -36.2815 76.3406 141.959 -14.2802 141.959 -156.552 GPRESSURE: 2304600 13.5748 28.8903 -31.8056 -87.3584 91.6677 219.878 30.1167 119.076 -90.459 PRESSAVG: 2304600 -57.9046 7.68253 -49.8559 7.68242 15.7877 -25.4002 -49.8559 -25.4002 15.2367 GPRESSAVG: 2304600 -57.6443 7.44395 -50.0218 7.83812 15.6018 -24.4508 -49.969 -25.7554 15.2656 TIMING: 2304600 CPU: 6879.43, 0.0029725/step Wall: 6879.43, 0.0029725/step, 2.22558 hours remaining, 207.542969 MB of memory in use. ENERGY: 2304600 727.8358 2049.7201 1909.4103 119.8656 -206520.7560 17967.5091 0.0000 0.0000 34221.9976 -149524.4175 298.8692 -183746.4151 -149427.6717 298.5791 -25.1014 4.9278 557355.2308 -8.9601 -8.9256 PRESSURE: 2304800 268.463 -23.9256 27.6576 -23.926 146.003 38.8527 27.6573 38.8542 228.684 GPRESSURE: 2304800 363.324 -35.5744 -30.0834 -32.7618 172.383 80.0648 80.1611 64.8558 202.183 PRESSAVG: 2304800 0.109808 -6.76775 -9.11342 -6.76777 -17.8234 39.6519 -9.11338 39.6519 22.8602 GPRESSAVG: 2304800 0.14295 -7.09778 -7.79607 -7.17811 -18.0386 36.9841 -8.43708 39.7531 23.0465 TIMING: 2304800 CPU: 6880.03, 0.00300569/step Wall: 6880.03, 0.00300569/step, 2.25026 hours remaining, 207.542969 MB of memory in use. ENERGY: 2304800 758.6022 2027.7357 1954.2301 116.6744 -206454.7474 18193.9558 0.0000 0.0000 34054.8747 -149348.6745 297.4097 -183403.5492 -149253.2828 298.7372 214.3832 245.9630 557942.9036 1.7156 1.7169 PRESSURE: 2305000 -23.1013 -45.7827 51.5932 -45.7821 -128.249 40.1623 51.5933 40.161 -59.4873 GPRESSURE: 2305000 12.0217 -12.9693 -7.81602 -86.4211 -63.8046 -1.94295 78.1121 29.3181 -75.6034 PRESSAVG: 2305000 54.4213 -34.366 -13.667 -34.366 -47.4255 5.65349 -13.6669 5.65343 -6.22897 GPRESSAVG: 2305000 52.7056 -35.5314 -12.5135 -34.7802 -46.327 7.4603 -15.5514 4.73002 -5.41037 TIMING: 2305000 CPU: 6880.63, 0.00300317/step Wall: 6880.63, 0.00300317/step, 2.2482 hours remaining, 207.542969 MB of memory in use. ENERGY: 2305000 723.4007 2086.2280 1926.5063 121.6132 -206143.7688 17611.2566 0.0000 0.0000 34161.6128 -149513.1512 298.3419 -183674.7641 -149422.3443 298.6088 -70.2792 -42.4621 558522.0109 0.2556 0.3228 PRESSURE: 2305200 97.8242 -81.5802 25.7444 -81.5812 311.57 49.2271 25.744 49.2264 41.8011 GPRESSURE: 2305200 128.958 -107.681 -48.5183 -156.289 286.969 -20.4023 89.2738 110.167 131.782 PRESSAVG: 2305200 45.2526 -24.4168 59.8654 -24.4168 -44.8036 58.4617 59.8654 58.4617 7.82613 GPRESSAVG: 2305200 46.2663 -24.2165 57.1743 -24.2391 -46.0025 57.5264 59.8986 59.0166 8.2911 TIMING: 2305200 CPU: 6881.23, 0.00299801/step Wall: 6881.23, 0.00299801/step, 2.24418 hours remaining, 207.542969 MB of memory in use. ENERGY: 2305200 726.9209 2114.3303 1936.6451 125.7074 -206662.2281 18129.0256 0.0000 0.0000 34293.9264 -149335.6724 299.4974 -183629.5989 -149242.9097 298.6401 150.3982 182.5698 557485.0289 2.7584 2.8516 PRESSURE: 2305400 -61.3014 55.7315 -96.3333 55.7302 122.091 149.854 -96.3321 149.856 -115.089 GPRESSURE: 2305400 16.0481 -0.505663 -135.948 85.4742 171.404 150.052 -134.081 169.107 -131.641 PRESSAVG: 2305400 -38.0614 -54.8321 -12.4077 -54.8322 15.5374 18.6333 -12.4077 18.6333 6.74948 GPRESSAVG: 2305400 -38.7557 -55.0187 -10.738 -53.6526 15.8223 19.7385 -10.1398 17.9439 6.55088 TIMING: 2305400 CPU: 6881.82, 0.0029436/step Wall: 6881.82, 0.0029436/step, 2.20329 hours remaining, 207.542969 MB of memory in use. ENERGY: 2305400 717.7879 2130.0170 1950.9322 110.9700 -206355.3747 17879.7878 0.0000 0.0000 34237.9917 -149327.8881 299.0089 -183565.8797 -149226.5423 298.7764 -18.0997 18.6038 558278.8868 -5.2582 -5.4609 PRESSURE: 2305600 -474.636 -13.9396 -14.8213 -13.939 -20.4528 102.314 -14.8222 102.314 -12.3674 GPRESSURE: 2305600 -394.764 -90.7026 -5.73685 12.8847 -48.0826 21.5351 -2.9405 107.641 32.0147 PRESSAVG: 2305600 -4.40731 -27.4986 15.8994 -27.4986 42.5122 23.9139 15.8995 23.9138 -51.4996 GPRESSAVG: 2305600 -4.88095 -27.9317 14.5114 -26.9831 42.3216 21.0284 16.6024 25.8042 -50.8329 TIMING: 2305600 CPU: 6882.4, 0.0029329/step Wall: 6882.4, 0.0029329/step, 2.19511 hours remaining, 207.542969 MB of memory in use. ENERGY: 2305600 729.2140 2169.9518 1905.8171 113.4438 -206384.9864 17630.3424 0.0000 0.0000 34426.6454 -149409.5718 300.6565 -183836.2172 -149312.4820 299.0145 -169.1520 -136.9438 557918.9450 -4.4649 -4.4641 PRESSURE: 2305800 40.2926 -77.6243 21.8364 -77.6242 -34.9421 -24.7828 21.8361 -24.7812 -83.592 GPRESSURE: 2305800 100.558 -52.1829 34.5011 -73.434 -22.6178 -47.4181 -58.7783 -1.5362 -57.0009 PRESSAVG: 2305800 -22.4821 21.1285 25.1006 21.1286 85.8888 -0.911919 25.1006 -0.911863 -46.9064 GPRESSAVG: 2305800 -22.1647 22.9213 25.0189 19.3757 85.2756 -1.05019 23.7855 -0.880712 -46.6813 TIMING: 2305800 CPU: 6882.99, 0.00294971/step Wall: 6882.99, 0.00294971/step, 2.20753 hours remaining, 207.542969 MB of memory in use. ENERGY: 2305800 735.2550 2117.8694 1897.8866 123.8084 -206277.2513 17680.8531 0.0000 0.0000 34338.6319 -149382.9468 299.8878 -183721.5787 -149284.3057 299.0854 -26.0805 6.9798 556508.7653 5.5001 5.4766 PRESSURE: 2306000 -129.491 112.321 1.29386 112.321 -5.14964 -4.87256 1.29241 -4.87376 76.4032 GPRESSURE: 2306000 -142.402 21.7767 27.8612 148.38 64.7602 21.0016 -15.1357 0.181497 121.663 PRESSAVG: 2306000 -8.7066 -11.733 -36.4774 -11.733 10.8593 3.64022 -36.4774 3.64019 14.4817 GPRESSAVG: 2306000 -9.62654 -13.8195 -34.411 -9.67271 11.7852 5.4945 -38.7496 2.76033 14.3697 TIMING: 2306000 CPU: 6883.58, 0.00296132/step Wall: 6883.58, 0.00296132/step, 2.21606 hours remaining, 207.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2306000 721.5993 2110.2329 1943.8263 115.8175 -206193.3131 17959.1408 0.0000 0.0000 34033.8703 -149308.8261 297.2263 -183342.6964 -149205.8408 298.6958 -19.4126 14.6738 558689.0588 5.5448 5.5095 PRESSURE: 2306200 9.25519 -106.037 68.9576 -106.037 -34.9849 165.24 68.9577 165.241 -226.108 GPRESSURE: 2306200 25.074 -16.1373 97.2528 -140.662 -6.71158 80.8301 80.2872 175.707 -186.762 PRESSAVG: 2306200 -18.3168 -7.60358 -46.2201 -7.60364 24.841 30.0504 -46.2201 30.0505 9.28175 GPRESSAVG: 2306200 -18.7498 -6.84488 -47.4762 -7.33072 24.3915 27.7279 -45.1319 31.1739 9.34948 TIMING: 2306200 CPU: 6884.18, 0.00296621/step Wall: 6884.18, 0.00296621/step, 2.21955 hours remaining, 207.542969 MB of memory in use. ENERGY: 2306200 763.3639 2119.2081 1906.6732 105.5041 -206167.8792 17699.2973 0.0000 0.0000 34302.3653 -149271.4673 299.5711 -183573.8326 -149180.8674 298.5854 -83.9458 -56.1333 559379.1974 5.2687 4.9971 PRESSURE: 2306400 -113.391 -35.9039 -53.2036 -35.9012 -89.8457 41.4826 -53.2025 41.4828 -282.327 GPRESSURE: 2306400 -28.1545 33.8383 -47.0238 -28.2529 -74.5911 141.124 -87.5537 35.0604 -288.21 PRESSAVG: 2306400 7.41795 -15.667 4.12323 -15.6669 57.1933 35.5894 4.1232 35.5893 -23.3997 GPRESSAVG: 2306400 8.47937 -15.2673 4.37618 -17.4366 57.771 36.743 4.28041 36.2034 -25.2322 TIMING: 2306400 CPU: 6884.77, 0.00298508/step Wall: 6884.77, 0.00298508/step, 2.2335 hours remaining, 207.542969 MB of memory in use. ENERGY: 2306400 751.4160 2085.1206 1932.9765 122.5941 -205834.2585 17664.4194 0.0000 0.0000 34050.0023 -149227.7297 297.3671 -183277.7320 -149131.5856 299.1056 -161.8545 -130.3187 559132.4525 13.7372 13.6727 PRESSURE: 2306600 -113.048 -6.58394 46.3583 -6.58447 -110.331 -19.3934 46.3583 -19.3915 -138.494 GPRESSURE: 2306600 -24.9858 11.2345 -7.49925 -4.63998 -80.1595 -15.6041 77.7571 -95.9594 -145.26 PRESSAVG: 2306600 -14.4736 31.0077 -22.9966 31.0079 24.5708 -11.4788 -22.9967 -11.4789 -48.4535 GPRESSAVG: 2306600 -15.4475 31.3403 -23.8445 30.3599 24.9026 -11.8236 -22.1812 -12.4869 -47.899 TIMING: 2306600 CPU: 6885.38, 0.0030108/step Wall: 6885.38, 0.0030108/step, 2.25258 hours remaining, 207.542969 MB of memory in use. ENERGY: 2306600 724.2437 2020.6268 1921.8033 115.1104 -206184.5555 17790.5445 0.0000 0.0000 34153.4936 -149458.7333 298.2710 -183612.2268 -149370.9787 298.7378 -120.6242 -83.4686 558590.8901 -12.7854 -12.8146 PRESSURE: 2306800 51.8134 -76.5122 -41.2279 -76.5113 -171.586 -87.1645 -41.2278 -87.1658 60.898 GPRESSURE: 2306800 81.2239 -17.7524 -170.175 -156.574 -135.436 -67.2375 18.2253 -117.892 98.1698 PRESSAVG: 2306800 99.1236 -7.37883 6.51722 -7.37878 -32.9753 6.83013 6.51732 6.8302 -32.7605 GPRESSAVG: 2306800 98.36 -5.93415 6.96807 -7.35168 -33.5002 9.36459 7.72282 3.78867 -31.9098 TIMING: 2306800 CPU: 6885.98, 0.00299964/step Wall: 6885.98, 0.00299964/step, 2.24406 hours remaining, 207.542969 MB of memory in use. ENERGY: 2306800 721.9098 2127.5480 1900.8971 113.6245 -206596.9493 17855.7794 0.0000 0.0000 34287.2584 -149589.9321 299.4392 -183877.1905 -149497.1865 298.2075 -19.6250 14.6525 556645.7669 11.1292 10.9833 PRESSURE: 2307000 262.917 102.58 -157.469 102.579 -82.6856 171.02 -157.469 171.02 14.3552 GPRESSURE: 2307000 293.438 58.4858 -127.312 104.665 -72.5898 193.917 -214.041 87.423 61.8239 PRESSAVG: 2307000 24.9739 -22.8655 23.2158 -22.8654 -19.5509 -14.5825 23.2158 -14.5827 -20.703 GPRESSAVG: 2307000 26.0724 -23.1833 21.9194 -22.951 -20.9461 -15.8857 21.2452 -11.4727 -20.8934 TIMING: 2307000 CPU: 6886.57, 0.00296362/step Wall: 6886.57, 0.00296362/step, 2.21695 hours remaining, 207.542969 MB of memory in use. ENERGY: 2307000 728.8183 2103.8642 1926.7890 126.9936 -206376.4227 17955.4394 0.0000 0.0000 34191.6617 -149342.8565 298.6043 -183534.5181 -149238.6910 298.6875 64.8622 94.2240 556965.5009 -5.0933 -5.2557 PRESSURE: 2307200 -295.094 -106.737 -25.9057 -106.737 -96.2655 -65.837 -25.9059 -65.8386 -66.4537 GPRESSURE: 2307200 -240.873 -49.9024 11.496 -161.427 -84.1531 -51.8234 -131.617 -16.9704 -27.496 PRESSAVG: 2307200 44.2797 -37.1018 -2.4476 -37.1018 -1.14677 10.6015 -2.44747 10.6015 -47.9472 GPRESSAVG: 2307200 43.3144 -35.1195 0.00208325 -37.9061 -1.07842 11.5317 -4.23765 9.17313 -47.0416 TIMING: 2307200 CPU: 6887.16, 0.00296917/step Wall: 6887.16, 0.00296917/step, 2.22094 hours remaining, 207.542969 MB of memory in use. ENERGY: 2307200 744.6477 2129.1443 1921.9980 124.7858 -206055.4323 17683.4231 0.0000 0.0000 34153.5795 -149297.8540 298.2717 -183451.4335 -149203.1285 298.7297 -152.6045 -117.5075 557629.1965 -1.6048 -1.6019 PRESSURE: 2307400 -70.0083 7.23306 -15.832 7.23248 -43.6888 -91.5598 -15.8338 -91.5606 120.121 GPRESSURE: 2307400 -42.209 -31.54 -65.315 39.1399 -57.6819 -15.5855 69.2905 -55.7872 205.134 PRESSAVG: 2307400 3.91537 -26.3841 -16.4706 -26.3841 73.3678 -14.6088 -16.4705 -14.6088 -50.395 GPRESSAVG: 2307400 3.38677 -29.8295 -15.9196 -23.9585 72.449 -15.1385 -15.5951 -13.3736 -49.5205 TIMING: 2307400 CPU: 6887.76, 0.0029765/step Wall: 6887.76, 0.00297649/step, 2.22625 hours remaining, 207.542969 MB of memory in use. ENERGY: 2307400 771.4508 2079.9435 1933.6404 119.3011 -206499.7744 17857.9997 0.0000 0.0000 34600.4392 -149136.9998 302.1742 -183737.4389 -149036.1199 299.8954 2.1413 35.0810 556268.1592 8.9627 8.7718 PRESSURE: 2307600 -71.8446 113.324 175.623 113.325 -24.1828 -214.364 175.624 -214.364 83.2815 GPRESSURE: 2307600 -94.4241 135.518 135.177 147.941 15.6315 -223.68 114.943 -229.782 166.138 PRESSAVG: 2307600 -26.9169 2.62386 -25.7558 2.62385 -26.1977 28.9331 -25.7557 28.9331 28.1191 GPRESSAVG: 2307600 -27.739 4.81256 -28.1112 1.25682 -24.0913 28.0739 -23.5064 28.7672 26.6693 TIMING: 2307600 CPU: 6888.36, 0.00300634/step Wall: 6888.36, 0.00300634/step, 2.24841 hours remaining, 207.542969 MB of memory in use. ENERGY: 2307600 710.7587 2058.8439 1925.1503 104.7661 -205793.7914 17693.1586 0.0000 0.0000 34237.7507 -149063.3632 299.0068 -183301.1138 -148973.6996 299.7814 -4.2486 29.1151 558387.3465 -8.3318 -8.3870 PRESSURE: 2307800 43.0767 -7.09475 -107.886 -7.09401 -112.003 55.7461 -107.884 55.7451 186.215 GPRESSURE: 2307800 88.4247 -8.78058 -13.0218 60.6893 -48.1265 101.088 -169.962 -93.9678 173.791 PRESSAVG: 2307800 77.3076 45.1712 0.769168 45.1712 -29.5792 -16.6059 0.769162 -16.6058 -9.45345 GPRESSAVG: 2307800 78.2316 43.476 1.68259 45.2701 -30.7587 -16.0695 -2.4045 -17.7202 -9.11493 TIMING: 2307800 CPU: 6888.96, 0.00298807/step Wall: 6888.96, 0.00298807/step, 2.23458 hours remaining, 207.542969 MB of memory in use. ENERGY: 2307800 701.2064 2092.3319 1939.6937 119.4935 -206320.4185 17846.7993 0.0000 0.0000 34257.1959 -149363.6978 299.1766 -183620.8938 -149268.8503 299.3993 39.0963 71.3630 558331.1836 12.7583 12.7860 PRESSURE: 2308000 51.4825 -49.9518 33.0616 -49.9514 184.066 255.278 33.0616 255.277 258.356 GPRESSURE: 2308000 124.484 -82.4603 78.0428 -143.123 212.094 271.188 -25.4833 230.198 276.647 PRESSAVG: 2308000 -33.63 47.3885 -85.1399 47.3885 -37.5687 -28.0449 -85.1398 -28.0449 51.9519 GPRESSAVG: 2308000 -35.2842 48.5888 -86.0391 47.2271 -36.7766 -26.5926 -83.7953 -29.4699 53.0991 TIMING: 2308000 CPU: 6889.55, 0.00296926/step Wall: 6889.55, 0.00296926/step, 2.22035 hours remaining, 207.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2308000 765.2969 2052.1696 1933.6027 109.3484 -206174.1698 18028.6218 0.0000 0.0000 34064.2416 -149220.8888 297.4915 -183285.1304 -149126.4644 298.6572 164.6351 204.4084 558303.4216 -6.4156 -6.3206 PRESSURE: 2308200 156.717 9.80689 130.709 9.80555 187.046 -25.0716 130.708 -25.0715 202.094 GPRESSURE: 2308200 196.437 21.6569 115.69 19.5301 236.869 -120.168 199.138 20.4521 199.405 PRESSAVG: 2308200 -43.2347 20.8418 4.84539 20.8417 -2.09906 53.2614 4.84534 53.2614 39.7805 GPRESSAVG: 2308200 -41.361 19.076 6.06013 21.5686 -2.43405 51.9623 4.49448 54.8995 38.5699 TIMING: 2308200 CPU: 6890.15, 0.00297969/step Wall: 6890.15, 0.00297969/step, 2.22798 hours remaining, 207.542969 MB of memory in use. ENERGY: 2308200 722.6728 2139.6090 1929.7287 110.9647 -206286.7855 18004.6431 0.0000 0.0000 34300.7394 -149078.4277 299.5569 -183379.1672 -148983.6824 299.0754 181.9524 210.9037 558393.5366 -1.8511 -1.7417 LDB: ============= START OF LOAD BALANCING ============== 6893.69 LDB: ============== END OF LOAD BALANCING =============== 6893.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6893.7 LDB: ============= START OF LOAD BALANCING ============== 6893.99 LDB: Largest compute 4773 load 0.031262 is 26.4% of average load 0.118300 LDB: Average compute 0.001731 is 1.5% of average load 0.118300 LDB: TIME 6894 LOAD: AVG 0.1183 MAX 0.20255 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.32 MB LDB: TIME 6894 LOAD: AVG 0.1183 MAX 0.20255 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.32 MB LDB: TIME 6894 LOAD: AVG 0.1183 MAX 0.20255 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.32 MB LDB: ============== END OF LOAD BALANCING =============== 6894 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6894 PRESSURE: 2308400 138.449 2.20695 -141.464 2.20695 -245.976 59.0378 -141.465 59.0365 -199.289 GPRESSURE: 2308400 163.835 2.8839 -152.714 -21.6523 -206.651 -20.8233 -119.519 162.59 -181.139 PRESSAVG: 2308400 -4.35756 -9.82822 -22.5544 -9.82837 11.3545 -11.2791 -22.5544 -11.2791 0.0468292 GPRESSAVG: 2308400 -4.96737 -7.47782 -22.6528 -10.5346 11.1352 -11.6624 -20.8921 -9.46951 1.24372 TIMING: 2308400 CPU: 6890.75, 0.00302157/step Wall: 6890.75, 0.00302157/step, 2.25913 hours remaining, 207.484375 MB of memory in use. ENERGY: 2308400 742.9264 2096.8623 1931.7271 127.4249 -205871.7047 17705.4933 0.0000 0.0000 34161.2788 -149105.9919 298.3389 -183267.2707 -149004.7778 299.3065 -102.2719 -74.6515 559339.4986 2.3479 2.4705 PRESSURE: 2308600 235.645 65.8743 -11.477 65.8743 23.4175 15.5696 -11.4771 15.5694 126.391 GPRESSURE: 2308600 232.946 62.2454 34.2277 2.96049 69.6358 2.39143 -56.9958 50.4948 173.977 PRESSAVG: 2308600 16.6741 34.1203 37.065 34.1203 -11.5675 38.1116 37.065 38.1116 -15.617 GPRESSAVG: 2308600 17.5462 32.7348 35.3012 33.9235 -11.2232 38.4408 36.2726 37.5434 -17.4044 TIMING: 2308600 CPU: 6891.34, 0.00294014/step Wall: 6891.34, 0.00294014/step, 2.19808 hours remaining, 207.484375 MB of memory in use. ENERGY: 2308600 717.5727 2079.6815 1930.3749 118.3070 -206073.3507 17817.9663 0.0000 0.0000 34468.5649 -148940.8835 301.0226 -183409.4484 -148840.6366 300.1943 128.4843 158.8529 556864.3520 -3.5034 -3.6938 PRESSURE: 2308800 -144.873 24.688 65.8644 24.6869 -121.171 46.253 65.866 46.2548 132.47 GPRESSURE: 2308800 -29.2903 -11.6574 39.7591 49.2243 -112.56 -98.8171 73.5882 59.5441 90.6713 PRESSAVG: 2308800 44.249 0.422464 57.7804 0.422434 -82.5694 6.62454 57.7804 6.62466 38.5417 GPRESSAVG: 2308800 43.8996 0.278609 56.9339 1.0831 -82.8109 6.40261 58.2262 5.37426 38.9257 TIMING: 2308800 CPU: 6891.93, 0.00296373/step Wall: 6891.93, 0.00296373/step, 2.21555 hours remaining, 207.484375 MB of memory in use. ENERGY: 2308800 772.3701 2080.3798 1918.5187 119.3397 -205859.0377 17647.5358 0.0000 0.0000 34427.1128 -148893.7809 300.6605 -183320.8937 -148796.5010 300.5113 -44.5245 -17.0596 557455.0629 0.0738 0.0048 PRESSURE: 2309000 -138.193 -91.9231 -185.951 -91.9195 131.609 -40.8651 -185.952 -40.8647 -38.644 GPRESSURE: 2309000 -61.8224 -89.9403 -217.276 -90.4546 133.835 -17.6498 -168.48 -7.13205 -39.8187 PRESSAVG: 2309000 33.005 1.87985 -2.68524 1.87993 -54.047 0.308323 -2.68537 0.308318 20.9261 GPRESSAVG: 2309000 33.3283 1.52645 -1.93727 2.84601 -54.3129 0.865097 -4.74732 1.63296 21.0957 TIMING: 2309000 CPU: 6892.53, 0.00297519/step Wall: 6892.53, 0.00297519/step, 2.22396 hours remaining, 207.484375 MB of memory in use. ENERGY: 2309000 749.8648 2123.6408 1929.0191 123.6378 -206046.9034 17792.7806 0.0000 0.0000 34414.2547 -148913.7057 300.5482 -183327.9603 -148819.4253 300.4300 -15.0758 10.7314 558352.2371 -0.0386 0.0370 PRESSURE: 2309200 -63.9325 -175.578 58.6275 -175.579 100.232 -15.7109 58.6285 -15.7131 69.4328 GPRESSURE: 2309200 -9.54546 -162.901 30.0063 -192.417 98.4724 8.31979 52.3045 -31.6686 115.348 PRESSAVG: 2309200 8.56543 -0.172854 39.0583 -0.172849 0.590275 30.6837 39.0583 30.6837 11.0739 GPRESSAVG: 2309200 7.46449 0.542293 40.895 -2.95248 0.702855 31.3837 40.8076 29.5695 11.9091 TIMING: 2309200 CPU: 6893.12, 0.0029607/step Wall: 6893.12, 0.0029607/step, 2.21296 hours remaining, 207.484375 MB of memory in use. ENERGY: 2309200 739.0009 2085.0937 1932.1394 113.8447 -205850.5639 17668.0117 0.0000 0.0000 34334.5757 -148977.8978 299.8524 -183312.4735 -148881.5744 300.1039 35.2442 68.0917 557116.8784 6.7432 6.6921 PRESSURE: 2309400 0.711793 -221.584 86.3768 -221.584 -20.4046 -19.8332 86.3773 -19.8336 -80.979 GPRESSURE: 2309400 41.4645 -186.062 37.3445 -124.09 -13.0454 -22.4227 76.0206 8.03312 -39.3837 PRESSAVG: 2309400 17.1532 -28.4117 29.524 -28.4117 -8.78515 28.5347 29.524 28.5347 -30.7537 GPRESSAVG: 2309400 18.1212 -27.5117 28.0836 -26.391 -9.70398 28.7034 27.832 28.879 -30.9401 TIMING: 2309400 CPU: 6893.71, 0.00296357/step Wall: 6893.71, 0.00296357/step, 2.21494 hours remaining, 207.484375 MB of memory in use. ENERGY: 2309400 739.5829 2101.6089 1947.9178 116.8254 -205873.2547 17782.9528 0.0000 0.0000 34277.5408 -148906.8261 299.3543 -183184.3669 -148806.1717 300.3603 -33.5573 -3.6549 557703.6823 -7.4619 -7.5076 PRESSURE: 2309600 -88.2099 -12.5289 172.305 -12.5275 -1.03116 9.4325 172.305 9.43387 -108.94 GPRESSURE: 2309600 -98.1881 -124.3 197.608 42.3616 19.2237 8.62272 139.075 -30.2914 -26.2901 PRESSAVG: 2309600 3.91316 -59.6879 -14.9849 -59.6878 24.3801 44.9731 -14.9849 44.9729 -40.3655 GPRESSAVG: 2309600 3.06994 -62.5354 -14.8663 -58.6755 25.1533 44.2132 -15.5004 45.5191 -40.571 TIMING: 2309600 CPU: 6894.3, 0.00295045/step Wall: 6894.3, 0.00295045/step, 2.20497 hours remaining, 207.484375 MB of memory in use. ENERGY: 2309600 764.4684 2140.1559 1902.6932 123.3027 -205974.4542 17722.2508 0.0000 0.0000 34424.2167 -148897.3665 300.6352 -183321.5832 -148799.3916 300.2562 -66.0605 -35.0848 558172.4277 -4.0241 -4.1159 PRESSURE: 2309800 -71.4022 -40.0931 70.6676 -40.0927 160.116 10.3547 70.6686 10.3547 96.204 GPRESSURE: 2309800 -53.1623 60.6272 82.9313 -72.8651 202.021 95.0248 75.8721 9.8084 143.811 PRESSAVG: 2309800 -15.2067 -26.819 -13.0871 -26.819 23.7707 15.7645 -13.0872 15.7645 60.8489 GPRESSAVG: 2309800 -15.955 -23.8166 -11.8071 -28.5147 24.1044 15.3337 -13.2033 15.9149 61.7157 TIMING: 2309800 CPU: 6894.9, 0.00297733/step Wall: 6894.9, 0.00297733/step, 2.22489 hours remaining, 207.484375 MB of memory in use. ENERGY: 2309800 741.2083 2155.8117 1926.6529 135.0942 -206068.4891 17826.4733 0.0000 0.0000 34292.7710 -148990.4778 299.4873 -183283.2488 -148898.5104 300.6125 61.6394 97.5566 556947.9363 23.1376 23.2884 PRESSURE: 2310000 46.6016 -99.5857 -99.8561 -99.5852 84.062 -69.9501 -99.8571 -69.9506 -446.317 GPRESSURE: 2310000 23.7936 -91.0366 -95.9785 -87.728 79.9379 -64.0105 -48.7954 -119.689 -346.663 PRESSAVG: 2310000 11.4488 -48.0028 1.67796 -48.0029 42.3369 0.940609 1.67794 0.940618 -75.6771 GPRESSAVG: 2310000 12.166 -47.1639 3.05835 -46.4827 42.9872 1.65496 1.93818 0.468667 -76.6722 TIMING: 2310000 CPU: 6895.49, 0.00297461/step Wall: 6895.49, 0.00297461/step, 2.2227 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2310000 776.2657 2077.9304 1920.1143 122.0274 -206099.1919 17776.1237 0.0000 0.0000 34464.9281 -148961.8023 300.9908 -183426.7304 -148860.4592 300.7073 -105.2177 -80.9772 557833.7260 -7.2971 -7.1730 PRESSURE: 2310200 63.9674 36.4382 -143.188 36.438 -17.4086 -124.15 -143.188 -124.149 262.309 GPRESSURE: 2310200 101.81 75.4718 -112.672 23.3524 0.431889 -64.5883 -196.601 -133.966 297.712 PRESSAVG: 2310200 10.5712 -26.9303 -51.9548 -26.9304 21.1216 59.6033 -51.9548 59.6033 14.0285 GPRESSAVG: 2310200 11.0761 -29.3058 -52.307 -29.118 19.8061 58.5361 -52.9723 60.8695 14.8434 TIMING: 2310200 CPU: 6896.09, 0.00296669/step Wall: 6896.09, 0.00296669/step, 2.21661 hours remaining, 207.484375 MB of memory in use. ENERGY: 2310200 738.1381 2121.4631 1970.9963 106.6042 -206639.6112 18124.8538 0.0000 0.0000 34480.8010 -149096.7546 301.1294 -183577.5556 -149006.0595 300.2107 102.9560 133.3179 557102.1909 15.2404 15.2419 PRESSURE: 2310400 -75.5225 -174.36 163.204 -174.361 -322.102 138.776 163.204 138.776 -100.454 GPRESSURE: 2310400 -73.603 -222.774 162.495 -108.442 -200.505 107.035 118.153 167.91 -126.552 PRESSAVG: 2310400 -22.4888 -18.4385 -27.5677 -18.4385 -49.6225 64.3636 -27.5677 64.3636 70.8059 GPRESSAVG: 2310400 -22.1577 -17.6677 -29.5432 -19.679 -48.7581 63.9666 -25.0063 63.2474 69.621 TIMING: 2310400 CPU: 6896.68, 0.00298687/step Wall: 6896.68, 0.00298687/step, 2.23152 hours remaining, 207.484375 MB of memory in use. ENERGY: 2310400 745.2881 2028.3647 1912.6180 113.4404 -205977.2084 17678.1871 0.0000 0.0000 34226.2169 -149273.0932 298.9061 -183499.3101 -149180.8697 298.6423 -166.0261 -133.5535 559091.8969 -0.4351 -0.4316 PRESSURE: 2310600 299.226 27.8884 53.903 27.8906 73.0711 -9.35421 53.903 -9.35213 204.278 GPRESSURE: 2310600 345.907 23.9232 76.6961 43.2529 130.875 -79.7558 79.693 30.6067 194.049 PRESSAVG: 2310600 1.61371 24.6462 -28.0312 24.6462 5.21063 0.955795 -28.0312 0.955829 59.3126 GPRESSAVG: 2310600 0.814866 23.8927 -26.9808 26.7502 4.70519 1.8357 -30.3973 0.326369 60.8552 TIMING: 2310600 CPU: 6897.29, 0.00301548/step Wall: 6897.29, 0.00301548/step, 2.25273 hours remaining, 207.484375 MB of memory in use. ENERGY: 2310600 750.4897 2098.6315 1925.7587 107.0589 -206731.8788 18220.1753 0.0000 0.0000 34289.7966 -149339.9681 299.4613 -183629.7647 -149239.4982 298.6417 192.1916 223.6104 557124.2864 22.0456 22.1251 PRESSURE: 2310800 197.484 -105.618 -90.418 -105.617 -246.106 190.27 -90.4178 190.271 19.1833 GPRESSURE: 2310800 153.756 -165.85 -77.0003 -65.5432 -146.832 227.654 -151.533 168.333 52.8864 PRESSAVG: 2310800 23.7633 -11.6019 8.61085 -11.6019 -0.728391 42.2393 8.61079 42.2393 -13.323 GPRESSAVG: 2310800 24.447 -9.77542 7.30114 -12.029 0.0106314 42.1931 9.44193 42.1144 -14.3459 TIMING: 2310800 CPU: 6897.89, 0.00300394/step Wall: 6897.89, 0.00300394/step, 2.24395 hours remaining, 207.484375 MB of memory in use. ENERGY: 2310800 737.8269 2157.2387 1929.6961 120.3767 -206244.5966 17793.2439 0.0000 0.0000 34206.4349 -149299.7793 298.7333 -183506.2143 -149209.3626 298.8572 -9.8128 19.9371 558285.2396 3.2373 3.3706 PRESSURE: 2311000 59.9757 32.9471 -64.215 32.9461 199.073 210.96 -64.2148 210.959 11.0962 GPRESSURE: 2311000 54.6567 39.4914 -45.7896 2.06969 246.15 221.099 -57.5436 197.053 58.0015 PRESSAVG: 2311000 -26.6513 19.2626 41.6715 19.2626 -16.92 -1.3021 41.6714 -1.30215 50.5979 GPRESSAVG: 2311000 -26.488 19.386 45.4906 19.6474 -17.2488 -1.02918 39.6694 0.0816657 50.6581 TIMING: 2311000 CPU: 6898.48, 0.00298261/step Wall: 6898.48, 0.00298261/step, 2.22784 hours remaining, 207.484375 MB of memory in use. ENERGY: 2311000 733.9000 2189.1934 1911.9393 113.1926 -206278.0880 18025.9984 0.0000 0.0000 34150.9714 -149152.8929 298.2489 -183303.8644 -149055.4155 298.6157 90.0483 119.6027 558634.4987 2.3422 2.3071 PRESSURE: 2311200 12.1841 23.906 -18.287 23.9078 106.889 30.3734 -18.2871 30.3739 -73.7885 GPRESSURE: 2311200 38.3703 -80.3475 14.2507 4.89687 175.046 69.7922 -31.2074 70.7111 -85.1202 PRESSAVG: 2311200 -40.4766 -22.3126 -16.1711 -22.3125 8.34252 7.44262 -16.1711 7.44259 23.3248 GPRESSAVG: 2311200 -41.3198 -22.1173 -19.2738 -22.6062 7.96874 6.09099 -15.4186 7.791 24.287 TIMING: 2311200 CPU: 6899.08, 0.00298786/step Wall: 6899.08, 0.00298786/step, 2.2316 hours remaining, 207.484375 MB of memory in use. ENERGY: 2311200 757.0989 2100.9712 1958.8574 118.0075 -206360.8193 17969.1429 0.0000 0.0000 34368.3072 -149088.4341 300.1470 -183456.7413 -148997.7416 299.7992 15.0950 42.7654 558632.4253 -2.9364 -3.0213 PRESSURE: 2311400 70.5549 -43.0979 35.3894 -43.0983 346.727 303.933 35.3905 303.933 15.4293 GPRESSURE: 2311400 140.088 18.5112 -3.35736 -156.551 360.698 304.317 79.6111 363.84 47.6402 PRESSAVG: 2311400 47.0434 7.39145 7.51734 7.39148 -11.8299 0.151445 7.51736 0.151522 -0.873645 GPRESSAVG: 2311400 48.2934 6.53089 5.71792 5.537 -12.4131 1.16348 9.83175 -1.98113 -1.03834 TIMING: 2311400 CPU: 6899.68, 0.00297382/step Wall: 6899.68, 0.00297382/step, 2.22095 hours remaining, 207.484375 MB of memory in use. ENERGY: 2311400 760.7890 2086.0512 1920.8503 117.1846 -206537.4959 18098.0319 0.0000 0.0000 34397.9923 -149156.5966 300.4062 -183554.5889 -149063.0311 299.6772 144.2369 182.8088 557348.6654 11.4466 11.6140 PRESSURE: 2311600 -63.894 -297.833 -139.708 -297.832 -54.6549 184.399 -139.708 184.4 -21.8327 GPRESSURE: 2311600 -43.2521 -218.554 -110.683 -346.19 -17.3708 223.673 -106.143 147.547 22.1794 PRESSAVG: 2311600 -25.0669 -32.7985 -11.9455 -32.7987 28.7104 16.0681 -11.9456 16.0682 6.40466 GPRESSAVG: 2311600 -25.5993 -32.1775 -8.15156 -30.7564 29.8875 14.7978 -15.6226 16.8446 6.30903 TIMING: 2311600 CPU: 6900.27, 0.00297921/step Wall: 6900.27, 0.00297921/step, 2.22481 hours remaining, 207.484375 MB of memory in use. ENERGY: 2311600 727.2864 2108.6644 1906.2908 115.6996 -206314.1951 17832.4159 0.0000 0.0000 34167.1515 -149456.6865 298.3902 -183623.8379 -149363.6165 299.2465 -46.7939 -12.8145 557357.2354 3.3494 3.5324 PRESSURE: 2311800 -132.241 144.589 -30.0403 144.588 16.6597 -77.5655 -30.0394 -77.5662 -103.064 GPRESSURE: 2311800 -62.6214 106.358 -59.5354 125.879 3.73995 -173.774 -26.3081 -79.3484 -67.0859 PRESSAVG: 2311800 6.78341 -19.1006 -2.33519 -19.1006 -72.1874 4.99007 -2.33517 4.99004 27.6699 GPRESSAVG: 2311800 8.1493 -19.0377 -4.84963 -19.3259 -73.561 4.84141 0.329823 4.85986 26.6905 TIMING: 2311800 CPU: 6900.87, 0.00297038/step Wall: 6900.87, 0.00297038/step, 2.21805 hours remaining, 207.484375 MB of memory in use. ENERGY: 2311800 750.7556 2051.7346 1916.6805 110.0258 -206341.2332 17723.9017 0.0000 0.0000 34179.4828 -149608.6521 298.4979 -183788.1349 -149514.2150 298.6624 -72.8816 -41.9891 557272.3361 -12.5780 -12.9071 PRESSURE: 2312000 104.385 -5.89128 165.391 -5.88913 55.4419 -218.786 165.391 -218.784 -221.767 GPRESSURE: 2312000 121.11 -27.2537 201.351 -36.5356 83.5517 -298.157 72.286 -179.066 -183.64 PRESSAVG: 2312000 1.06789 7.61092 52.065 7.61082 6.03237 -67.0942 52.065 -67.0942 -17.4821 GPRESSAVG: 2312000 0.842548 5.7597 52.2871 7.99335 7.34087 -65.4369 52.2656 -67.3073 -18.4221 TIMING: 2312000 CPU: 6901.47, 0.00299862/step Wall: 6901.47, 0.00299862/step, 2.23897 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2312000 746.0155 2072.8193 1939.8016 103.8419 -206078.2715 17737.9027 0.0000 0.0000 33924.1527 -149553.7379 296.2681 -183477.8906 -149460.1282 298.4654 -20.6465 7.0072 557218.9549 -3.4606 -3.4129 PRESSURE: 2312200 -2.57421 -59.2308 -58.0727 -59.2301 -206.871 21.9231 -58.0724 21.9228 -207.455 GPRESSURE: 2312200 15.7327 -89.5943 -106.512 -56.871 -164.317 42.274 -17.7296 -71.2884 -155.249 PRESSAVG: 2312200 -65.2084 -2.01593 0.837592 -2.01593 94.4897 -20.2042 0.837628 -20.2041 -21.5149 GPRESSAVG: 2312200 -65.7835 -1.14881 1.20358 -3.06018 94.2163 -19.0798 -1.38774 -20.4879 -20.6549 TIMING: 2312200 CPU: 6902.07, 0.00302412/step Wall: 6902.07, 0.00302412/step, 2.25784 hours remaining, 207.484375 MB of memory in use. ENERGY: 2312200 740.6369 2094.2733 1941.9946 108.5886 -206275.4023 17691.3053 0.0000 0.0000 34225.9521 -149472.6515 298.9038 -183698.6035 -149374.3452 298.9116 -138.9666 -101.2778 556285.9638 2.5888 2.5927 LDB: ============= START OF LOAD BALANCING ============== 6905.62 LDB: ============== END OF LOAD BALANCING =============== 6905.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6905.62 LDB: ============= START OF LOAD BALANCING ============== 6905.92 LDB: Largest compute 4773 load 0.030666 is 25.9% of average load 0.118306 LDB: Average compute 0.001740 is 1.5% of average load 0.118306 LDB: TIME 6905.92 LOAD: AVG 0.118306 MAX 0.205034 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 6905.92 LOAD: AVG 0.118306 MAX 0.205034 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.285 MB LDB: TIME 6905.92 LOAD: AVG 0.118306 MAX 0.205034 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.285 MB LDB: ============== END OF LOAD BALANCING =============== 6905.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6905.93 PRESSURE: 2312400 295.746 -72.3324 -43.8329 -72.3331 183.454 -122.765 -43.832 -122.764 221.095 GPRESSURE: 2312400 335.628 -47.6938 -66.075 -20.8524 184.408 -102.229 -49.033 -134.611 278.476 PRESSAVG: 2312400 38.9766 15.8884 1.3131 15.8884 -34.5485 -14.6084 1.31302 -14.6084 -11.2065 GPRESSAVG: 2312400 38.7755 13.8155 1.86909 18.0596 -34.2175 -16.3884 2.07306 -13.9625 -11.8104 TIMING: 2312400 CPU: 6902.68, 0.00302132/step Wall: 6902.68, 0.00302132/step, 2.25559 hours remaining, 207.671875 MB of memory in use. ENERGY: 2312400 746.7778 2108.6162 1947.0248 122.8144 -207028.8770 18230.3443 0.0000 0.0000 34468.9146 -149404.3850 301.0256 -183873.2996 -149306.2496 298.6790 233.4319 266.1708 556223.0781 -2.2595 -2.4175 PRESSURE: 2312600 49.8082 12.7858 43.438 12.7851 59.93 -97.8657 43.4385 -97.8664 147.535 GPRESSURE: 2312600 63.0123 -52.8511 76.2213 -8.98468 54.2514 -25.4696 90.923 -69.5625 234.681 PRESSAVG: 2312600 -54.6625 -52.526 -16.4088 -52.5261 37.8669 -53.909 -16.4089 -53.909 -1.34165 GPRESSAVG: 2312600 -55.8381 -51.3193 -18.5267 -54.4892 38.637 -54.013 -15.6572 -53.1177 -0.254092 TIMING: 2312600 CPU: 6903.27, 0.00296413/step Wall: 6903.27, 0.00296413/step, 2.21272 hours remaining, 207.671875 MB of memory in use. ENERGY: 2312600 767.9593 2127.8222 1958.7675 119.0889 -206789.3841 18094.6532 0.0000 0.0000 34299.2782 -149421.8148 299.5441 -183721.0930 -149324.3969 299.3845 85.7578 117.3148 558245.3629 -6.0457 -5.8184 PRESSURE: 2312800 82.7103 -74.0506 -59.7154 -74.0502 -297.235 51.2333 -59.7152 51.2327 7.27664 GPRESSURE: 2312800 48.1436 -98.7128 -63.595 -128.086 -246.124 50.5175 -129.59 28.4018 98.4206 PRESSAVG: 2312800 -14.3889 8.84155 12.0963 8.84151 -31.0893 -4.22938 12.0964 -4.2293 44.4516 GPRESSAVG: 2312800 -13.5382 10.1736 11.8173 8.91903 -31.4448 -3.31328 10.2116 -4.81673 44.0005 TIMING: 2312800 CPU: 6903.86, 0.00296545/step Wall: 6903.86, 0.00296545/step, 2.21354 hours remaining, 207.671875 MB of memory in use. ENERGY: 2312800 762.4827 2142.1521 1918.5723 109.5275 -206523.9758 17958.3539 0.0000 0.0000 34218.3718 -149414.5155 298.8376 -183632.8873 -149315.6879 299.2891 -69.0826 -33.1865 557920.7553 -0.3422 -0.3275 PRESSURE: 2313000 30.2757 118.166 -14.903 118.166 1.46902 -17.3281 -14.9044 -17.3285 -185.787 GPRESSURE: 2313000 102.662 79.1292 -68.8793 146.554 30.243 69.316 14.8381 -77.5728 -196.587 PRESSAVG: 2313000 23.856 -8.64546 30.8179 -8.64551 -53.4333 -15.7437 30.8179 -15.7436 27.0123 GPRESSAVG: 2313000 23.8794 -9.55956 31.8732 -7.83628 -52.9046 -14.5326 33.7462 -17.9929 26.5086 TIMING: 2313000 CPU: 6904.45, 0.00294404/step Wall: 6904.45, 0.00294404/step, 2.1974 hours remaining, 207.671875 MB of memory in use. ENERGY: 2313000 711.5722 2151.9361 1915.7845 111.3700 -206505.6597 17960.0150 0.0000 0.0000 34180.9249 -149474.0570 298.5105 -183654.9818 -149379.0648 298.9689 -51.3475 -21.2274 557972.3288 -0.8550 -0.8389 PRESSURE: 2313200 82.4325 134.145 60.4415 134.145 84.1984 -0.582963 60.4419 -0.584771 -115.07 GPRESSURE: 2313200 85.8751 152.775 137.228 121.251 88.2443 43.6229 -0.16094 19.4142 -29.8397 PRESSAVG: 2313200 58.3416 -10.6868 -26.018 -10.6869 -3.45836 -16.743 -26.018 -16.743 -74.0782 GPRESSAVG: 2313200 57.3183 -9.90255 -26.1879 -12.1919 -3.58337 -15.6964 -27.2808 -14.7647 -73.3445 TIMING: 2313200 CPU: 6905.04, 0.00296374/step Wall: 6905.04, 0.00296374/step, 2.21194 hours remaining, 207.671875 MB of memory in use. ENERGY: 2313200 732.3556 2061.5777 1921.3251 124.0164 -206209.0419 17883.7226 0.0000 0.0000 34001.9691 -149484.0755 296.9477 -183486.0446 -149386.5751 298.4987 17.1871 48.0932 557219.6917 -6.3983 -6.5365 PRESSURE: 2313400 105.353 89.5319 -133.331 89.5305 152.319 5.54297 -133.33 5.54064 91.7294 GPRESSURE: 2313400 156.801 31.8857 -124.303 87.8298 185.553 22.0804 -114.336 -70.4549 99.2439 PRESSAVG: 2313400 -2.39003 -10.8542 -19.3363 -10.8541 86.9683 5.49563 -19.3364 5.49568 -59.3245 GPRESSAVG: 2313400 -2.39028 -11.4257 -17.085 -10.5979 87.5091 3.64618 -20.4518 4.22181 -59.5161 TIMING: 2313400 CPU: 6905.64, 0.00298581/step Wall: 6905.64, 0.00298581/step, 2.22825 hours remaining, 207.671875 MB of memory in use. ENERGY: 2313400 758.1589 2075.2449 1925.5869 107.4468 -206723.3691 18226.6919 0.0000 0.0000 34111.1069 -149519.1327 297.9008 -183630.2396 -149427.8950 298.1944 116.4672 147.1994 557804.4612 8.4179 8.5342 PRESSURE: 2313600 -47.4546 -38.4976 121.338 -38.4978 20.2765 143.48 121.337 143.48 109.039 GPRESSURE: 2313600 -5.76578 -29.6193 67.9782 -19.8543 82.1178 20.6952 177.592 153.427 110.245 PRESSAVG: 2313600 -13.7753 18.1057 2.84609 18.1057 21.7393 -6.60377 2.84606 -6.60362 8.17461 GPRESSAVG: 2313600 -11.7372 18.9368 3.28121 18.5616 21.4239 -6.68173 5.55914 -3.55108 6.83122 TIMING: 2313600 CPU: 6906.24, 0.00298378/step Wall: 6906.24, 0.00298378/step, 2.22656 hours remaining, 207.671875 MB of memory in use. ENERGY: 2313600 729.5620 2063.4082 1927.0285 113.0206 -206470.5332 17863.6149 0.0000 0.0000 34473.3848 -149300.5142 301.0646 -183773.8990 -149208.3976 299.0429 27.2871 62.1990 556219.3785 5.3796 5.5060 PRESSURE: 2313800 -402.939 41.9646 97.4086 41.964 -85.6753 79.0778 97.4078 79.0786 -98.6764 GPRESSURE: 2313800 -357.196 17.8558 230.262 4.19603 -77.7055 95.2313 -0.947324 66.5027 -65.1674 PRESSAVG: 2313800 -25.2321 6.71066 40.7682 6.71073 -6.27707 -43.0179 40.7683 -43.0181 77.4703 GPRESSAVG: 2313800 -25.8705 4.59293 38.9112 7.3867 -6.62856 -44.0321 39.0119 -43.2777 78.7092 TIMING: 2313800 CPU: 6906.84, 0.00301423/step Wall: 6906.84, 0.00301423/step, 2.24912 hours remaining, 207.671875 MB of memory in use. ENERGY: 2313800 773.0614 2149.3506 1938.6659 122.8276 -205715.0094 17428.6070 0.0000 0.0000 34267.7515 -149034.7455 299.2688 -183302.4970 -148942.3842 299.9114 -195.7634 -166.6895 557139.1844 15.3204 15.4034 PRESSURE: 2314000 -114.746 -121.786 10.6805 -121.786 -396.496 -14.0248 10.6809 -14.0247 39.0401 GPRESSURE: 2314000 -46.9089 -84.7245 85.8337 -85.5967 -358.209 40.2696 -89.6979 4.82426 20.6575 PRESSAVG: 2314000 -86.5947 16.8075 12.5688 16.8075 43.6438 0.893483 12.5687 0.893479 32.48 GPRESSAVG: 2314000 -85.7281 18.1385 12.5889 15.6947 43.8374 -0.460869 13.1508 2.35242 32.3362 TIMING: 2314000 CPU: 6907.44, 0.00300633/step Wall: 6907.44, 0.00300633/step, 2.24306 hours remaining, 207.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2314000 761.6753 2106.9958 1931.2385 110.0659 -206096.1128 17657.4425 0.0000 0.0000 34458.3241 -149070.3708 300.9331 -183528.6948 -148982.9757 300.0640 -157.4008 -128.1535 557642.5469 -3.4903 -3.1848 PRESSURE: 2314200 14.7291 193.168 -5.79292 193.169 158.506 -78.5101 -5.7926 -78.5119 -72.7809 GPRESSURE: 2314200 -28.8473 193.934 -111.719 188.335 192.86 -66.8382 45.579 -30.2947 24.1984 PRESSAVG: 2314200 -26.0794 -20.5904 -37.6754 -20.5903 1.77622 13.1814 -37.6755 13.1813 47.2251 GPRESSAVG: 2314200 -27.5076 -19.0977 -35.2821 -21.2453 2.86992 13.9554 -40.1083 11.1822 47.9105 TIMING: 2314200 CPU: 6908.04, 0.00297546/step Wall: 6908.04, 0.00297546/step, 2.21986 hours remaining, 207.671875 MB of memory in use. ENERGY: 2314200 691.9351 2125.9738 1917.1941 124.2306 -206188.7319 17791.9286 0.0000 0.0000 34466.2664 -149071.2034 301.0025 -183537.4697 -148967.3873 299.5174 33.4848 62.7370 557548.8993 7.6406 7.7576 PRESSURE: 2314400 -417.52 -90.9234 40.9311 -90.9234 -240.829 87.4631 40.931 87.4626 -101.84 GPRESSURE: 2314400 -416.174 -107.697 -10.6296 -0.00352232 -185.016 129.354 35.8814 74.7675 -58.5317 PRESSAVG: 2314400 -19.7729 20.5004 31.3116 20.5005 56.3388 81.6576 31.3116 81.6576 -3.03593 GPRESSAVG: 2314400 -18.8358 19.5812 29.6765 20.1523 56.1502 83.1996 33.0835 81.7879 -4.03781 TIMING: 2314400 CPU: 6908.63, 0.0029683/step Wall: 6908.63, 0.0029683/step, 2.21435 hours remaining, 207.671875 MB of memory in use. ENERGY: 2314400 757.8770 2113.2120 1935.6139 125.2157 -205633.4672 17291.2618 0.0000 0.0000 34357.7976 -149052.4893 300.0552 -183410.2869 -148956.8080 299.2415 -253.3961 -219.9073 558481.7403 11.1766 11.0922 PRESSURE: 2314600 -182.942 -20.4891 26.9999 -20.4909 -62.906 12.2947 26.9993 12.2941 245.313 GPRESSURE: 2314600 -188.915 -46.8269 -31.8973 31.8415 29.7152 71.7866 26.2457 4.16913 262.447 PRESSAVG: 2314600 -32.6365 -32.9784 24.77 -32.9784 -16.7088 0.835423 24.77 0.83547 27.183 GPRESSAVG: 2314600 -33.3818 -34.2235 23.9815 -31.2609 -16.3175 0.568493 26.6818 -0.0919216 27.5347 TIMING: 2314600 CPU: 6909.22, 0.00297494/step Wall: 6909.22, 0.00297494/step, 2.21914 hours remaining, 207.671875 MB of memory in use. ENERGY: 2314600 713.3587 2039.2708 1923.3711 106.9786 -206071.8722 17942.4965 0.0000 0.0000 34344.3208 -149002.0756 299.9375 -183346.3964 -148903.3163 299.6018 -0.1783 34.4157 559312.7402 -7.3875 -7.3882 PRESSURE: 2314800 129.088 -22.2438 -94.9817 -22.2439 117.018 146.661 -94.981 146.661 41.2843 GPRESSURE: 2314800 206.703 -119.833 -169.503 103.885 133.827 91.9688 -114.789 176.266 41.2344 PRESSAVG: 2314800 -9.75076 3.30629 -39.7016 3.3063 23.1594 41.741 -39.7015 41.7412 24.8968 GPRESSAVG: 2314800 -9.38281 1.59855 -38.4624 4.61539 22.71 41.0172 -43.3049 41.8052 24.9671 TIMING: 2314800 CPU: 6909.82, 0.00296083/step Wall: 6909.82, 0.00296083/step, 2.20845 hours remaining, 207.671875 MB of memory in use. ENERGY: 2314800 727.4418 2097.5005 1921.2393 102.6213 -206274.3888 18009.4539 0.0000 0.0000 34426.5192 -148989.6129 300.6554 -183416.1321 -148889.2314 299.5186 95.7969 127.2550 559177.5972 12.7685 12.7648 PRESSURE: 2315000 -68.2677 29.8749 80.3991 29.8743 -85.6571 80.1676 80.3987 80.1684 53.0551 GPRESSURE: 2315000 -50.834 49.0176 45.7002 -68.9103 -55.858 48.4188 47.5769 140.084 108.992 PRESSAVG: 2315000 12.8732 -15.1288 -61.8446 -15.1288 -5.56949 25.3574 -61.8446 25.3574 -6.56344 GPRESSAVG: 2315000 12.7037 -13.7681 -63.9281 -16.4462 -5.06126 25.0834 -59.4337 26.0295 -7.21972 TIMING: 2315000 CPU: 6910.41, 0.00295835/step Wall: 6910.41, 0.00295835/step, 2.20643 hours remaining, 207.671875 MB of memory in use. ENERGY: 2315000 737.3350 2046.9007 1935.7037 104.2314 -206147.2841 17840.7451 0.0000 0.0000 34473.0554 -149009.3130 301.0618 -183482.3683 -148911.2304 300.2336 -33.6233 0.7666 557600.6266 0.2468 0.1409 PRESSURE: 2315200 257.009 -92.7049 -103.167 -92.7062 -145.025 10.1367 -103.166 10.1358 60.2142 GPRESSURE: 2315200 278.736 -151.2 -129.123 -19.4834 -127.577 8.29705 -90.4132 14.4246 118.781 PRESSAVG: 2315200 6.03858 -2.53153 -34.1181 -2.53155 -31.3927 -66.2946 -34.1182 -66.2946 26.6785 GPRESSAVG: 2315200 6.38716 -2.65908 -33.1008 -2.79933 -32.7425 -65.5707 -34.8322 -66.8659 27.3575 TIMING: 2315200 CPU: 6911, 0.00296392/step Wall: 6911, 0.00296392/step, 2.21042 hours remaining, 207.671875 MB of memory in use. ENERGY: 2315200 768.4153 2089.7857 1925.1179 101.1405 -206013.2120 17883.3478 0.0000 0.0000 34258.5846 -148986.8201 299.1887 -183245.4047 -148890.0818 299.6213 57.3993 89.9803 558000.4865 0.4415 0.3341 PRESSURE: 2315400 -74.6885 -76.076 240.982 -76.0767 73.8561 -106.475 240.981 -106.474 102.605 GPRESSURE: 2315400 -12.8367 -78.2657 181.908 -106.311 59.9356 -127.114 263.464 -76.2785 142.42 PRESSAVG: 2315400 -21.3077 -7.0832 39.0213 -7.08317 -36.0542 -33.7593 39.0213 -33.7592 52.6828 GPRESSAVG: 2315400 -21.226 -7.73685 37.4794 -7.46561 -35.4195 -33.9023 40.7548 -33.1594 52.4402 TIMING: 2315400 CPU: 6911.6, 0.0029867/step Wall: 6911.6, 0.0029867/step, 2.22725 hours remaining, 207.671875 MB of memory in use. ENERGY: 2315400 739.6163 2074.3175 1945.6968 108.9589 -205801.4186 17737.3869 0.0000 0.0000 34414.0765 -148781.3656 300.5467 -183195.4421 -148678.7697 300.6115 33.9242 63.1730 557260.0377 -1.5597 -1.4018 PRESSURE: 2315600 -141.714 -179.133 -7.52333 -179.134 118.076 -31.9332 -7.52391 -31.9336 33.4443 GPRESSURE: 2315600 -91.9096 -221.494 -89.4268 -171.026 103.256 -152.679 37.3301 84.2347 86.4428 PRESSAVG: 2315600 30.9128 -21.1644 -9.63183 -21.1644 9.89312 -58.6125 -9.63191 -58.6126 -26.3426 GPRESSAVG: 2315600 30.7262 -21.8193 -8.18557 -20.6559 9.84825 -57.9949 -9.48002 -59.6732 -26.2846 TIMING: 2315600 CPU: 6912.19, 0.00294142/step Wall: 6912.19, 0.00294142/step, 2.19332 hours remaining, 207.671875 MB of memory in use. ENERGY: 2315600 724.7088 2095.5205 1932.7680 108.1147 -205756.3214 17793.0553 0.0000 0.0000 34352.1557 -148749.9984 300.0059 -183102.1541 -148650.1274 300.1813 3.2689 32.5963 558125.5406 4.8211 4.7633 PRESSURE: 2315800 -112.217 -140.952 -11.4861 -140.952 -179.933 61.3526 -11.4861 61.356 -25.3659 GPRESSURE: 2315800 -90.6979 -56.5685 15.246 -134.483 -177.913 -14.5921 -84.6199 69.3427 53.8829 PRESSAVG: 2315800 -2.05507 -40.6751 -24.3616 -40.6752 -4.63647 -2.21292 -24.3617 -2.21285 -7.57322 GPRESSAVG: 2315800 -2.31504 -39.3181 -23.3237 -40.9301 -4.62511 -0.846674 -26.434 -3.25229 -7.31757 TIMING: 2315800 CPU: 6912.78, 0.00297143/step Wall: 6912.78, 0.00297143/step, 2.21553 hours remaining, 207.671875 MB of memory in use. ENERGY: 2315800 728.6172 2144.4667 1918.9547 118.6872 -205785.3972 17640.6163 0.0000 0.0000 34430.1639 -148803.8913 300.6872 -183234.0552 -148707.4556 300.1769 -105.8387 -71.5762 559165.8499 -4.7549 -4.7526 PRESSURE: 2316000 -205.737 190.261 -76.424 190.261 84.4831 -92.0706 -76.4229 -92.07 112.317 GPRESSURE: 2316000 -156.959 138.565 -110.482 137.719 94.4191 -6.83787 -69.7281 -125.749 161.733 PRESSAVG: 2316000 -61.0983 9.70778 0.195561 9.70772 13.8133 4.12457 0.195484 4.12448 51.6007 GPRESSAVG: 2316000 -60.5174 7.30319 -1.57299 11.1525 13.2079 4.46439 1.9763 5.14106 51.6887 TIMING: 2316000 CPU: 6913.38, 0.00299091/step Wall: 6913.38, 0.00299091/step, 2.22989 hours remaining, 207.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2316000 712.4535 2124.0507 1951.3374 106.2531 -205997.8176 17662.4593 0.0000 0.0000 34545.8334 -148895.4302 301.6974 -183441.2636 -148801.7277 300.0430 -2.9791 33.0641 558291.2907 1.4386 1.4597 PRESSURE: 2316200 -317.182 -11.8211 4.71713 -11.8198 101.923 -65.1552 4.71607 -65.1558 -83.4548 GPRESSURE: 2316200 -256.577 -13.9545 30.0643 -50.8972 113.493 -170.759 38.7055 -88.6167 -65.997 PRESSAVG: 2316200 47.0974 -11.4297 -1.75002 -11.4298 -26.3803 31.2124 -1.75 31.2126 -40.6853 GPRESSAVG: 2316200 46.4508 -9.27779 -0.265602 -13.4751 -25.702 29.6388 -2.98674 30.9918 -40.8388 TIMING: 2316200 CPU: 6913.98, 0.00298731/step Wall: 6913.98, 0.00298731/step, 2.22704 hours remaining, 207.671875 MB of memory in use. ENERGY: 2316200 733.8308 2149.7196 1895.2873 119.7468 -206235.9117 17698.7581 0.0000 0.0000 34580.1319 -149058.4370 301.9969 -183638.5689 -148969.0060 300.4168 -99.5714 -69.6938 557279.3499 -6.6561 -6.6967 LDB: ============= START OF LOAD BALANCING ============== 6917.52 LDB: ============== END OF LOAD BALANCING =============== 6917.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6917.53 LDB: ============= START OF LOAD BALANCING ============== 6917.82 LDB: Largest compute 4773 load 0.030621 is 25.9% of average load 0.118279 LDB: Average compute 0.001735 is 1.5% of average load 0.118279 LDB: TIME 6917.83 LOAD: AVG 0.118279 MAX 0.204839 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.93 MB LDB: TIME 6917.83 LOAD: AVG 0.118279 MAX 0.204839 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208 MB LDB: TIME 6917.83 LOAD: AVG 0.118279 MAX 0.204839 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6917.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6917.83 PRESSURE: 2316400 128.327 -131.855 -75.0757 -131.857 171.58 -27.0837 -75.0759 -27.0844 110.738 GPRESSURE: 2316400 167.776 -155.702 -80.0823 -34.8916 178.545 33.716 -61.4762 41.1169 163.872 PRESSAVG: 2316400 1.3447 -46.5173 -33.5778 -46.5173 -9.36058 7.48509 -33.5777 7.48513 0.31849 GPRESSAVG: 2316400 1.3709 -46.9827 -33.6367 -45.1804 -9.55306 8.36359 -32.1927 9.10767 0.52086 TIMING: 2316400 CPU: 6914.58, 0.00302893/step Wall: 6914.58, 0.00302893/step, 2.2579 hours remaining, 207.929688 MB of memory in use. ENERGY: 2316400 741.6949 2074.0900 1955.2611 115.9685 -206086.5100 17893.0276 0.0000 0.0000 34282.8585 -149023.6095 299.4007 -183306.4680 -148929.6310 299.2798 136.8818 170.0643 557096.6811 -2.5658 -2.5538 PRESSURE: 2316600 18.2504 75.2743 107.518 75.2732 -141.308 99.8663 107.518 99.8667 -95.8313 GPRESSURE: 2316600 5.69942 117.961 105.211 97.0884 -68.0578 78.3146 68.3469 106.289 -68.532 PRESSAVG: 2316600 32.537 -31.3957 -3.37179 -31.3956 -28.1664 29.2688 -3.3719 29.2687 -8.14252 GPRESSAVG: 2316600 32.7931 -31.4605 -2.31493 -31.4392 -28.119 26.8143 -4.74063 28.9751 -8.6485 TIMING: 2316600 CPU: 6915.17, 0.00295985/step Wall: 6915.17, 0.00295985/step, 2.20624 hours remaining, 207.929688 MB of memory in use. ENERGY: 2316600 732.6990 2141.0872 1927.2788 112.3711 -205775.2309 17613.6774 0.0000 0.0000 34222.0206 -149026.0967 298.8694 -183248.1173 -148927.2959 299.3390 -72.9629 -43.6301 558871.5284 -1.2573 -1.3248 PRESSURE: 2316800 -19.2423 -48.9936 -64.1495 -48.9928 -21.1239 -59.0385 -64.1491 -59.0394 -109.26 GPRESSURE: 2316800 26.6828 -25.1209 -164.488 -12.2623 -18.941 37.6078 34.4529 -133.638 -43.3336 PRESSAVG: 2316800 -19.7818 -21.4858 -41.5147 -21.4859 -0.56764 11.2715 -41.5147 11.2715 -67.8282 GPRESSAVG: 2316800 -19.6575 -21.4649 -43.0032 -21.7 0.0170543 14.8315 -40.5399 9.72578 -68.4876 TIMING: 2316800 CPU: 6915.76, 0.00295103/step Wall: 6915.76, 0.00295103/step, 2.1995 hours remaining, 207.929688 MB of memory in use. ENERGY: 2316800 736.7313 2076.7815 1945.5139 109.5005 -206130.6597 17839.4215 0.0000 0.0000 34346.2740 -149076.4370 299.9546 -183422.7110 -148985.3978 299.7059 -49.8755 -11.8639 558251.3569 -29.3926 -29.3760 PRESSURE: 2317000 -36.4019 48.9303 -209.192 48.93 -148.783 -38.0516 -209.193 -38.0518 62.9663 GPRESSURE: 2317000 -1.7127 63.9321 -172.195 46.173 -82.0456 -131.934 -219.896 12.9801 58.5865 PRESSAVG: 2317000 35.6489 -68.9243 -35.2664 -68.9244 28.4591 17.9471 -35.2664 17.9472 -12.7975 GPRESSAVG: 2317000 35.7348 -67.9306 -34.9387 -67.8441 28.5041 15.7625 -34.5439 19.6414 -12.8847 TIMING: 2317000 CPU: 6916.36, 0.00299233/step Wall: 6916.36, 0.00299233/step, 2.23012 hours remaining, 207.929688 MB of memory in use. ENERGY: 2317000 784.2411 2148.4054 1930.3760 96.9216 -206120.1818 17771.5567 0.0000 0.0000 34280.7486 -149107.9325 299.3823 -183388.6811 -149010.0276 300.0863 -40.7397 -8.3906 557150.1860 17.1035 17.1181 PRESSURE: 2317200 -16.8752 64.8547 -5.58448 64.8552 -3.35234 -21.2333 -5.58474 -21.2345 14.0153 GPRESSURE: 2317200 60.5908 28.6504 17.225 78.1575 -9.78388 51.0944 18.1998 -65.938 27.337 PRESSAVG: 2317200 -4.58675 5.14901 -3.86125 5.14903 -10.0744 -0.799094 -3.86127 -0.799094 -3.7857 GPRESSAVG: 2317200 -4.49592 4.84085 -6.12564 3.95603 -10.2384 -0.697692 -3.08112 -1.10034 -3.69519 TIMING: 2317200 CPU: 6916.96, 0.00296681/step Wall: 6916.96, 0.00296681/step, 2.21093 hours remaining, 207.929688 MB of memory in use. ENERGY: 2317200 756.9527 2023.1015 1948.5403 127.1065 -205919.4682 17726.9512 0.0000 0.0000 34105.7595 -149231.0566 297.8541 -183336.8161 -149136.9122 299.0774 -2.0707 26.0480 557753.8346 -6.1490 -6.1432 PRESSURE: 2317400 -258.292 18.4807 -74.7074 18.48 -142.415 -18.8537 -74.707 -18.8541 46.4715 GPRESSURE: 2317400 -205.295 12.3781 -4.88844 -11.3575 -122.911 125.933 -30.6402 -16.0168 70.8365 PRESSAVG: 2317400 38.678 -3.22318 -14.879 -3.22329 -83.39 -4.32124 -14.879 -4.3213 38.6058 GPRESSAVG: 2317400 37.015 -4.10593 -13.8546 -2.65819 -81.5013 -2.6901 -14.9183 -5.45593 38.8681 TIMING: 2317400 CPU: 6917.56, 0.00299484/step Wall: 6917.56, 0.00299484/step, 2.23165 hours remaining, 207.929688 MB of memory in use. ENERGY: 2317400 734.9472 2119.9643 1952.7750 109.3617 -206136.1559 17645.8339 0.0000 0.0000 34323.1263 -149250.1475 299.7524 -183573.2738 -149159.0546 299.4398 -118.0785 -85.7901 557031.4786 -2.0354 -1.8727 PRESSURE: 2317600 220.774 -95.0024 171.511 -95.0023 250.738 -31.3779 171.512 -31.38 47.7928 GPRESSURE: 2317600 266.397 -76.4189 110.545 -35.1549 232.685 23.239 169.907 -62.0076 119.082 PRESSAVG: 2317600 4.28218 16.0052 -26.3245 16.0053 -32.6325 -8.69705 -26.3243 -8.69707 92.0905 GPRESSAVG: 2317600 5.03309 15.4486 -28.4145 15.1878 -35.0839 -9.79287 -24.6412 -9.12122 93.3342 TIMING: 2317600 CPU: 6918.15, 0.00299754/step Wall: 6918.15, 0.00299754/step, 2.2335 hours remaining, 207.929688 MB of memory in use. ENERGY: 2317600 722.0438 2103.7311 1931.7046 116.5165 -206630.9036 18153.1321 0.0000 0.0000 34248.2410 -149355.5345 299.0984 -183603.7755 -149258.4029 299.5598 173.1016 206.0548 556145.7788 21.2467 21.0945 PRESSURE: 2317800 45.2826 56.4003 -82.9045 56.4014 -214.879 53.2358 -82.9041 53.236 -73.3048 GPRESSURE: 2317800 53.5807 101.027 -54.6992 41.7603 -129.411 92.1206 -30.4114 -21.5693 -58.5414 PRESSAVG: 2317800 -16.6911 51.9082 -7.92238 51.9082 -49.7692 -60.2883 -7.92233 -60.2883 53.1772 GPRESSAVG: 2317800 -14.4784 52.0346 -6.07882 51.8566 -49.371 -58.5724 -11.4465 -60.6758 50.9928 TIMING: 2317800 CPU: 6918.75, 0.00299889/step Wall: 6918.75, 0.00299889/step, 2.23434 hours remaining, 207.929688 MB of memory in use. ENERGY: 2317800 752.1414 2054.4035 1963.9399 111.1212 -206288.2748 17757.6181 0.0000 0.0000 34298.6389 -149350.4117 299.5385 -183649.0507 -149257.1563 298.9385 -80.9672 -44.7905 558696.9277 -4.4277 -4.2856 PRESSURE: 2318000 -428.207 -122.754 -110.83 -122.754 -30.9985 -43.3657 -110.829 -43.3649 21.854 GPRESSURE: 2318000 -343.263 -84.1377 -108.205 -159.904 -48.2962 -81.436 -118.823 -20.4616 44.1356 PRESSAVG: 2318000 20.4875 33.2467 12.5315 33.2467 -49.5964 -29.9397 12.5315 -29.9396 -16.1889 GPRESSAVG: 2318000 20.3307 35.0055 12.5416 32.4004 -49.6371 -30.6177 12.8343 -30.6411 -16.0207 TIMING: 2318000 CPU: 6919.35, 0.00296849/step Wall: 6919.35, 0.00296849/step, 2.21152 hours remaining, 207.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2318000 753.8315 2075.3728 1944.6665 122.9494 -206255.4258 17754.1340 0.0000 0.0000 34397.4083 -149207.0634 300.4011 -183604.4716 -149121.8395 299.4619 -145.7838 -115.8077 557818.6318 -15.0993 -15.1091 PRESSURE: 2318200 -121.12 84.7188 23.2995 84.7196 68.1956 -40.7712 23.2998 -40.7716 236.736 GPRESSURE: 2318200 -61.741 34.5925 -26.0987 144.863 121.087 -3.09236 32.4652 -81.0637 234.015 PRESSAVG: 2318200 -37.3996 30.5224 74.9796 30.5224 -53.3641 -41.1275 74.9795 -41.1276 40.3864 GPRESSAVG: 2318200 -39.0356 28.6822 76.8449 32.604 -52.9985 -42.4369 74.2282 -42.3585 41.7504 TIMING: 2318200 CPU: 6919.96, 0.0030366/step Wall: 6919.96, 0.0030366/step, 2.2621 hours remaining, 207.929688 MB of memory in use. ENERGY: 2318200 787.1263 2098.6992 1951.0457 108.7399 -206520.9962 18055.6173 0.0000 0.0000 34380.4714 -149139.2964 300.2532 -183519.7678 -149042.6799 299.6919 61.2706 97.7868 557577.9065 -16.7924 -16.7612 PRESSURE: 2318400 -311.975 -180.325 -174.143 -180.326 -161.546 4.09881 -174.143 4.09606 28.5323 GPRESSURE: 2318400 -281.517 -188.082 -91.2424 -127.036 -117.052 -14.0735 -262.871 63.0886 44.6148 PRESSAVG: 2318400 -63.6606 -21.6359 46.5611 -21.6358 8.26214 -18.2126 46.5611 -18.2128 77.0161 GPRESSAVG: 2318400 -62.5537 -19.5253 46.0932 -20.9316 7.8045 -17.8162 46.2673 -15.2522 76.3703 TIMING: 2318400 CPU: 6920.55, 0.00298861/step Wall: 6920.55, 0.00298861/step, 2.22618 hours remaining, 207.929688 MB of memory in use. ENERGY: 2318400 731.6898 2132.1956 1941.9084 124.3263 -205848.5045 17560.8190 0.0000 0.0000 34179.4185 -149178.1469 298.4974 -183357.5654 -149078.6731 299.8850 -148.3296 -117.9846 558453.3516 7.2059 7.2070 PRESSURE: 2318600 -23.197 71.9117 23.8319 71.9111 40.0366 -28.4955 23.8328 -28.4952 56.3485 GPRESSURE: 2318600 -28.8165 54.0569 44.6906 51.5568 98.4429 -45.5884 62.7151 -38.2676 93.5745 PRESSAVG: 2318600 60.5958 22.823 -8.45041 22.823 -100.587 -70.7912 -8.45042 -70.7912 38.3339 GPRESSAVG: 2318600 59.6967 20.8166 -10.344 21.7993 -100.664 -69.6013 -5.72783 -73.6561 39.5494 TIMING: 2318600 CPU: 6921.15, 0.00298377/step Wall: 6921.15, 0.00298377/step, 2.22241 hours remaining, 207.929688 MB of memory in use. ENERGY: 2318600 728.3867 2051.5026 1922.0335 109.8511 -206051.6940 17823.1472 0.0000 0.0000 34284.8663 -149131.9066 299.4183 -183416.7729 -149038.3877 299.7860 24.3960 54.4003 558251.0663 -0.5526 -0.4725 PRESSURE: 2318800 -136.153 -155.927 -193.677 -155.926 184.11 -4.03255 -193.676 -4.03252 272.034 GPRESSURE: 2318800 9.58458 -204.666 -190.064 -204.733 178.532 -15.5898 -208.633 -29.165 223.407 PRESSAVG: 2318800 -1.83157 -21.0306 -25.9921 -21.0306 52.4326 -41.0537 -25.9922 -41.0536 -32.912 GPRESSAVG: 2318800 -1.7133 -20.7071 -25.7905 -20.9375 52.0923 -42.6984 -26.039 -42.1564 -32.9989 TIMING: 2318800 CPU: 6921.74, 0.00297337/step Wall: 6921.74, 0.00297337/step, 2.2145 hours remaining, 207.929688 MB of memory in use. ENERGY: 2318800 740.0824 2117.1280 1956.6307 114.9338 -206537.3007 18110.6373 0.0000 0.0000 34361.9408 -149135.9478 300.0914 -183497.8886 -149038.6693 300.0785 106.6637 137.1746 557493.9415 5.8964 5.7933 PRESSURE: 2319000 -43.5741 128.389 -65.4794 128.388 128.858 2.88088 -65.4793 2.88076 0.315663 GPRESSURE: 2319000 -28.0249 177.069 -51.3206 61.6703 152.822 34.4154 -94.7812 -96.0418 72.6296 PRESSAVG: 2319000 -15.1747 39.4287 -75.0852 39.4286 -48.9195 -24.8396 -75.0852 -24.8396 -10.6291 GPRESSAVG: 2319000 -15.8855 40.8513 -75.0368 38.9834 -48.5719 -25.6052 -76.0591 -21.692 -10.2182 TIMING: 2319000 CPU: 6922.35, 0.00300357/step Wall: 6922.35, 0.00300357/step, 2.23682 hours remaining, 207.929688 MB of memory in use. ENERGY: 2319000 795.2493 2032.1577 1945.4991 119.5588 -206225.9287 17873.5054 0.0000 0.0000 34426.8179 -149033.1405 300.6580 -183459.9584 -148944.4992 300.4727 28.5330 65.8088 556986.3939 -24.9078 -24.8918 PRESSURE: 2319200 -173.661 2.99103 206.457 2.99059 -117.598 -32.5828 206.455 -32.5828 -360.024 GPRESSURE: 2319200 -174.173 44.715 134.431 -23.4363 -36.7815 -24.7465 244.45 -81.5652 -349.963 PRESSAVG: 2319200 -19.3305 29.5946 -36.3779 29.5946 -14.9581 -0.049071 -36.3779 -0.0490658 18.0459 GPRESSAVG: 2319200 -18.4571 31.1005 -35.6423 27.3317 -14.5834 0.828817 -35.7338 -0.738065 16.7927 TIMING: 2319200 CPU: 6922.94, 0.00296731/step Wall: 6922.94, 0.00296731/step, 2.20965 hours remaining, 207.929688 MB of memory in use. ENERGY: 2319200 746.0213 2111.8114 1931.5556 125.7095 -205481.2027 17455.7731 0.0000 0.0000 34133.3261 -148977.0057 298.0948 -183110.3318 -148883.1167 300.1679 -217.0944 -186.9725 559076.9889 -5.4142 -5.4159 PRESSURE: 2319400 -103.787 -198.339 40.4253 -198.338 -245.393 -74.7499 40.424 -74.7499 -84.9681 GPRESSURE: 2319400 -58.35 -197.009 46.8647 -165.663 -214.729 -25.2252 -14.7493 -99.9878 -62.8507 PRESSAVG: 2319400 32.3106 -3.85912 3.71989 -3.85904 -29.515 15.9962 3.71988 15.9962 1.20787 GPRESSAVG: 2319400 32.9172 -5.40352 5.37961 -1.8658 -30.2364 16.3671 1.39505 15.8876 1.4526 TIMING: 2319400 CPU: 6923.54, 0.00299318/step Wall: 6923.54, 0.00299318/step, 2.22875 hours remaining, 207.929688 MB of memory in use. ENERGY: 2319400 740.6537 2116.2720 1891.3356 122.6404 -205462.1128 17456.7077 0.0000 0.0000 34226.5050 -148907.9983 298.9086 -183134.5033 -148803.2430 299.9127 -144.7159 -111.9765 559067.7577 1.3345 1.3778 PRESSURE: 2319600 40.8294 128.132 -163.652 128.132 -121.449 12.1076 -163.652 12.1078 -352.53 GPRESSURE: 2319600 36.2958 111.69 -184.042 133.784 -60.8353 64.4461 -64.3087 1.25363 -309.733 PRESSAVG: 2319600 105.72 23.7447 -31.9231 23.7446 15.8087 2.04777 -31.9231 2.04768 -107.449 GPRESSAVG: 2319600 105.774 24.1418 -33.1199 23.7321 16.0356 0.837379 -31.1991 2.47076 -107.603 TIMING: 2319600 CPU: 6924.13, 0.00297299/step Wall: 6924.13, 0.00297299/step, 2.21356 hours remaining, 207.929688 MB of memory in use. ENERGY: 2319600 758.8074 2060.7207 1925.0002 119.0698 -205598.6566 17521.7354 0.0000 0.0000 34225.0196 -148988.3035 298.8956 -183213.3231 -148895.3438 299.7552 -144.3831 -111.4242 557512.0059 4.6932 4.7356 PRESSURE: 2319800 -201.539 -188.749 -7.02161 -188.748 -261.578 112.814 -7.0227 112.814 -108.695 GPRESSURE: 2319800 -108.828 -224.297 -26.1793 -105.765 -232.328 153.089 -6.0836 80.5582 -144.837 PRESSAVG: 2319800 48.1685 6.92176 -68.1978 6.92171 0.382358 53.263 -68.1978 53.2631 -28.0653 GPRESSAVG: 2319800 47.5461 5.92493 -68.2478 7.70394 0.595375 52.9257 -65.4411 54.9458 -27.7966 TIMING: 2319800 CPU: 6924.72, 0.00296309/step Wall: 6924.72, 0.00296309/step, 2.20602 hours remaining, 207.929688 MB of memory in use. ENERGY: 2319800 733.8157 2156.8140 1925.0852 115.4700 -205530.3697 17393.7808 0.0000 0.0000 34172.2222 -149033.1818 298.4345 -183205.4040 -148938.1194 300.7700 -190.6041 -161.9975 558350.7320 6.8285 6.7816 PRESSURE: 2320000 78.1458 -61.387 51.4918 -61.3871 181.933 176.009 51.4912 176.008 41.5262 GPRESSURE: 2320000 185.504 -50.494 13.6486 33.2419 125.26 136.129 78.5205 258.114 92.1601 PRESSAVG: 2320000 107.862 -8.6135 -66.3195 -8.61354 -51.6878 31.7152 -66.3195 31.7151 -43.7795 GPRESSAVG: 2320000 108.19 -8.82066 -65.0817 -9.81772 -51.0408 32.4405 -70.3082 29.6749 -44.6885 TIMING: 2320000 CPU: 6925.32, 0.0029806/step Wall: 6925.32, 0.0029806/step, 2.21889 hours remaining, 207.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2320000 773.8364 2100.1897 1938.7302 110.0371 -206386.7232 17867.1751 0.0000 0.0000 34373.7206 -149223.0341 300.1943 -183596.7547 -149121.7403 299.6510 100.5349 134.3078 555725.1851 4.1317 4.1536 PRESSURE: 2320200 163.835 -128.716 -150.756 -128.716 132.887 -19.1057 -150.757 -19.1053 -109.411 GPRESSURE: 2320200 144.257 -205.9 -66.9876 -73.7151 182.901 -86.2968 -140.419 14.3925 -38.1817 PRESSAVG: 2320200 -19.0028 15.1972 -16.5317 15.1972 52.6016 13.5064 -16.5316 13.5065 29.56 GPRESSAVG: 2320200 -19.9664 15.76 -19.1732 14.9742 52.499 15.2697 -13.1971 14.2775 30.638 TIMING: 2320200 CPU: 6925.91, 0.00296353/step Wall: 6925.91, 0.00296353/step, 2.20602 hours remaining, 207.929688 MB of memory in use. ENERGY: 2320200 760.3696 2150.8443 1917.7762 117.6412 -206144.1967 17809.8249 0.0000 0.0000 34360.0942 -149027.6464 300.0752 -183387.7406 -148932.9693 299.8284 62.4370 96.3255 556180.3878 21.0529 21.0568 LDB: ============= START OF LOAD BALANCING ============== 6929.46 LDB: ============== END OF LOAD BALANCING =============== 6929.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6929.46 LDB: ============= START OF LOAD BALANCING ============== 6929.76 LDB: Largest compute 4773 load 0.031064 is 26.3% of average load 0.118202 LDB: Average compute 0.001728 is 1.5% of average load 0.118202 LDB: TIME 6929.76 LOAD: AVG 0.118202 MAX 0.198944 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 6929.76 LOAD: AVG 0.118202 MAX 0.198944 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 6929.76 LOAD: AVG 0.118202 MAX 0.198944 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6929.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6929.77 PRESSURE: 2320400 -185.984 43.4121 -68.241 43.4122 33.3635 -65.9426 -68.2407 -65.9425 -221.804 GPRESSURE: 2320400 -113.432 70.7266 -91.5671 52.8013 1.1102 -41.87 8.57831 -36.4495 -173.615 PRESSAVG: 2320400 -4.08728 44.7226 -24.1627 44.7224 8.55467 3.22735 -24.1626 3.22735 -20.7025 GPRESSAVG: 2320400 -4.31114 42.6911 -24.0819 47.2171 7.94862 1.03087 -24.3727 2.32019 -19.8324 TIMING: 2320400 CPU: 6926.52, 0.00303215/step Wall: 6926.52, 0.00303215/step, 2.25693 hours remaining, 207.996094 MB of memory in use. ENERGY: 2320400 735.5370 2117.8255 1903.8696 108.9595 -205986.9591 17571.3851 0.0000 0.0000 34159.5718 -149389.8107 298.3240 -183549.3825 -149285.2620 298.8579 -124.8083 -95.3123 557310.5187 -5.4117 -5.3983 PRESSURE: 2320600 -164.629 98.0154 -218.806 98.0156 -50.806 -4.02863 -218.805 -4.02928 82.0782 GPRESSURE: 2320600 -103.533 -25.1344 -150.929 145.812 -36.9709 27.611 -249.742 -57.5565 100.044 PRESSAVG: 2320600 -8.44065 7.93909 -5.02587 7.93907 -30.5662 -20.232 -5.02583 -20.2319 24.369 GPRESSAVG: 2320600 -7.28692 8.65856 -3.38077 6.46524 -31.6548 -18.6346 -4.96294 -21.5947 24.0146 TIMING: 2320600 CPU: 6927.11, 0.00295859/step Wall: 6927.11, 0.00295859/step, 2.20201 hours remaining, 207.996094 MB of memory in use. ENERGY: 2320600 743.6399 2100.6660 1933.1546 115.7374 -206098.4913 17643.6229 0.0000 0.0000 34416.4453 -149145.2253 300.5674 -183561.6705 -149043.2416 298.6897 -44.4524 -13.4866 558488.6008 -4.8793 -4.9757 PRESSURE: 2320800 34.5044 -115.38 -94.1135 -115.378 337.343 160.425 -94.1127 160.426 -14.1247 GPRESSURE: 2320800 70.5857 -131.171 10.2712 -156.451 443.901 123.29 -159.852 149.369 -69.0531 PRESSAVG: 2320800 3.14802 -31.5337 -6.01595 -31.5337 108.158 -9.13231 -6.01587 -9.13235 -35.5113 GPRESSAVG: 2320800 2.90057 -32.118 -7.17982 -29.8295 109.024 -10.873 -9.25126 -6.71668 -36.15 TIMING: 2320800 CPU: 6927.7, 0.00295722/step Wall: 6927.7, 0.00295722/step, 2.20083 hours remaining, 207.996094 MB of memory in use. ENERGY: 2320800 760.3842 2097.3098 1930.6971 108.3324 -206570.9714 18160.0168 0.0000 0.0000 34295.6523 -149218.5787 299.5125 -183514.2310 -149128.6996 299.0537 119.2408 148.4780 557415.2388 25.2648 25.2582 PRESSURE: 2321000 -125.846 15.0841 -120.745 15.0835 31.8405 31.1339 -120.745 31.1326 243.452 GPRESSURE: 2321000 -85.3297 27.7664 -144.215 79.8495 70.794 69.4757 -132.404 24.138 248.45 PRESSAVG: 2321000 102.216 7.69673 -24.8597 7.6968 -67.3263 38.6849 -24.8597 38.6848 -8.5091 GPRESSAVG: 2321000 101.871 9.39039 -24.9256 6.7042 -68.0594 39.771 -22.1684 37.9431 -8.32191 TIMING: 2321000 CPU: 6928.29, 0.00295776/step Wall: 6928.29, 0.00295776/step, 2.20107 hours remaining, 207.996094 MB of memory in use. ENERGY: 2321000 765.4149 2079.9447 1927.5902 107.8489 -206015.8250 17709.3429 0.0000 0.0000 34324.4397 -149101.2437 299.7639 -183425.6835 -149002.7808 299.8175 49.8158 77.9713 556271.7792 8.7935 8.4964 PRESSURE: 2321200 -144.758 186.579 12.3164 186.579 64.6324 -16.6407 12.3142 -16.6397 151.022 GPRESSURE: 2321200 -128.794 163.181 -6.53888 136.865 140.751 -53.687 11.9858 -93.6385 173.363 PRESSAVG: 2321200 -66.3053 9.18192 -12.0448 9.182 7.56382 -4.10045 -12.0448 -4.10045 63.8968 GPRESSAVG: 2321200 -65.5895 8.15616 -11.7527 8.98509 7.36927 -3.71717 -13.7341 -4.98047 63.4481 TIMING: 2321200 CPU: 6928.89, 0.00297106/step Wall: 6928.89, 0.00297106/step, 2.2108 hours remaining, 207.996094 MB of memory in use. ENERGY: 2321200 738.2301 2101.2721 1935.6539 116.3420 -205748.2288 17681.3458 0.0000 0.0000 34214.4878 -148960.8971 298.8036 -183175.3849 -148864.5603 300.4260 23.6323 61.7734 557348.1152 1.7185 1.7426 PRESSURE: 2321400 3.07271 -92.0945 72.4864 -92.0941 -82.4522 193.722 72.4866 193.721 99.6032 GPRESSURE: 2321400 16.5024 -66.9518 78.6303 -23.9077 -41.5477 165.694 158.612 177.287 124.214 PRESSAVG: 2321400 -14.6404 -0.324191 13.7864 -0.324082 69.5938 31.0719 13.7863 31.072 -18.3951 GPRESSAVG: 2321400 -15.0204 -2.26685 12.6368 1.43813 70.2866 29.6136 14.3633 32.4886 -18.6042 TIMING: 2321400 CPU: 6929.49, 0.00300562/step Wall: 6929.49, 0.00300562/step, 2.23635 hours remaining, 207.996094 MB of memory in use. ENERGY: 2321400 758.0343 2129.9232 1934.6796 107.0288 -206190.8289 17795.1360 0.0000 0.0000 34422.5545 -149043.4724 300.6207 -183466.0269 -148941.2409 299.9358 6.7413 33.0562 556723.7077 12.1861 12.2207 PRESSURE: 2321600 -22.5869 29.8534 -102.14 29.8537 79.5669 21.4398 -102.139 21.4392 15.3104 GPRESSURE: 2321600 -6.07917 40.8723 -114.183 -40.3058 143.153 20.8878 -89.3209 39.1059 28.5022 PRESSAVG: 2321600 -18.4955 20.9826 31.627 20.9826 55.726 42.4711 31.627 42.471 -66.4534 GPRESSAVG: 2321600 -18.1164 24.0976 32.4877 19.201 57.0778 44.8865 31.568 40.6913 -67.4829 TIMING: 2321600 CPU: 6930.09, 0.00299461/step Wall: 6930.09, 0.00299461/step, 2.22799 hours remaining, 207.996094 MB of memory in use. ENERGY: 2321600 744.7890 2070.9473 1947.2266 117.2732 -206314.4030 17834.2666 0.0000 0.0000 34443.7919 -149156.1085 300.8062 -183599.9004 -149062.5496 299.9622 24.0968 55.1919 556202.0245 -9.7410 -9.5071 PRESSURE: 2321800 -74.9565 -89.6251 73.2596 -89.6243 -197.394 30.0628 73.2612 30.0616 -69.8864 GPRESSURE: 2321800 -101.666 -101.644 141.382 -65.4164 -124.206 48.0086 124.188 76.9816 -18.6214 PRESSAVG: 2321800 -0.155318 18.3682 34.4722 18.3683 16.0985 -2.083 34.4722 -2.08301 46.2998 GPRESSAVG: 2321800 0.895687 18.4558 33.9423 17.3442 14.8161 -5.97364 34.5868 0.361394 46.8988 TIMING: 2321800 CPU: 6930.68, 0.00297188/step Wall: 6930.68, 0.00297188/step, 2.21091 hours remaining, 207.996094 MB of memory in use. ENERGY: 2321800 773.9739 2057.7764 1885.2854 109.2909 -205839.4711 17518.6876 0.0000 0.0000 34256.6258 -149237.8311 299.1716 -183494.4569 -149135.0359 299.2866 -114.0788 -81.4979 557042.1417 20.7477 20.8702 PRESSURE: 2322000 -137.558 -118.305 130.456 -118.305 31.2191 76.318 130.456 76.32 -227.482 GPRESSURE: 2322000 -41.8652 -88.6537 131.857 -136.212 -22.1613 88.9599 185.05 82.9602 -167.415 PRESSAVG: 2322000 -56.5047 -23.0783 15.3033 -23.0783 86.9919 -8.44008 15.3033 -8.44012 11.5681 GPRESSAVG: 2322000 -58.0764 -23.3706 15.453 -21.759 87.2494 -4.4692 14.1208 -12.2264 12.6703 TIMING: 2322000 CPU: 6931.28, 0.00298274/step Wall: 6931.28, 0.00298274/step, 2.21883 hours remaining, 207.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2322000 730.1582 2066.6866 1923.5794 128.5155 -205708.9121 17474.5263 0.0000 0.0000 34217.5532 -149167.8931 298.8304 -183385.4462 -149074.0662 299.0485 -111.2735 -77.1473 557201.7603 14.0184 13.9478 PRESSURE: 2322200 -88.3613 151.063 24.8349 151.062 -47.9294 -42.4486 24.8348 -42.4496 -81.9591 GPRESSURE: 2322200 -63.7536 85.5271 -34.4858 118.612 -27.4346 -49.1718 -23.8877 -89.7896 -17.5904 PRESSAVG: 2322200 -46.7586 4.90617 27.5715 4.90611 51.7536 -4.9459 27.5715 -4.94598 -5.40714 GPRESSAVG: 2322200 -45.3928 4.76131 28.5651 3.50344 50.8798 -7.00494 29.617 -4.30578 -5.88557 TIMING: 2322200 CPU: 6931.88, 0.00298611/step Wall: 6931.88, 0.00298611/step, 2.22117 hours remaining, 207.996094 MB of memory in use. ENERGY: 2322200 778.6386 2083.4987 1922.7576 114.6703 -206008.1794 17690.6828 0.0000 0.0000 34197.2018 -149220.7296 298.6527 -183417.9314 -149133.8486 299.0815 -72.7499 -36.2595 556943.4672 -0.1374 -0.1329 PRESSURE: 2322400 9.35453 138.112 -5.96111 138.112 -413.331 165.634 -5.96024 165.632 -145.685 GPRESSURE: 2322400 16.8791 116.61 -77.8994 88.9649 -366.737 132.478 50.6498 194.744 -115.215 PRESSAVG: 2322400 -45.174 30.8346 31.439 30.8346 -8.19153 -13.3947 31.439 -13.3948 47.4601 GPRESSAVG: 2322400 -46.1436 29.9772 30.1974 31.2356 -7.81181 -13.9393 29.2115 -12.8607 47.9441 TIMING: 2322400 CPU: 6932.47, 0.00297776/step Wall: 6932.47, 0.00297776/step, 2.21479 hours remaining, 207.996094 MB of memory in use. ENERGY: 2322400 786.4063 2122.3875 1914.1561 111.5874 -205858.4705 17501.1090 0.0000 0.0000 34067.7072 -149355.1170 297.5218 -183422.8242 -149259.2600 299.5474 -183.2205 -155.0244 557493.3896 -1.9685 -2.0038 PRESSURE: 2322600 46.4705 155.064 2.94078 155.063 -395.515 -0.92071 2.94191 -0.921455 -104.225 GPRESSURE: 2322600 103.705 129.84 -46.2221 179.467 -360.482 -108.937 15.3089 73.0366 -93.6004 PRESSAVG: 2322600 34.7369 38.2414 -4.15464 38.2414 -19.8668 56.903 -4.15458 56.903 22.8271 GPRESSAVG: 2322600 35.5882 39.9884 -4.1554 37.1342 -19.0448 56.9354 -3.47413 56.862 22.14 TIMING: 2322600 CPU: 6933.06, 0.00294637/step Wall: 6933.06, 0.00294637/step, 2.19128 hours remaining, 207.996094 MB of memory in use. ENERGY: 2322600 744.1112 2045.5147 1916.3843 105.2714 -205987.2715 17554.4770 0.0000 0.0000 34248.3586 -149373.1543 299.0994 -183621.5129 -149269.8518 298.6132 -151.0897 -116.7925 558806.4760 12.5657 12.8945 PRESSURE: 2322800 -113.011 121.932 -34.802 121.932 221.009 49.3466 -34.8013 49.3469 3.62266 GPRESSURE: 2322800 -85.0519 184.787 -2.92737 147.401 243.652 88.5958 -87.6536 32.3714 53.6535 PRESSAVG: 2322800 -6.78738 13.4229 -98.1277 13.4228 23.9685 46.3243 -98.1276 46.3244 -34.4983 GPRESSAVG: 2322800 -6.24101 13.0372 -98.6026 14.3838 24.1275 45.4583 -99.1093 45.9721 -35.0156 TIMING: 2322800 CPU: 6933.66, 0.00298338/step Wall: 6933.66, 0.00298338/step, 2.21864 hours remaining, 207.996094 MB of memory in use. ENERGY: 2322800 737.8757 2113.1965 1939.1714 120.8612 -206493.2523 17992.9864 0.0000 0.0000 34235.7702 -149353.3909 298.9895 -183589.1611 -149261.1005 298.2042 37.2068 70.7511 557394.7240 -5.7724 -5.7097 PRESSURE: 2323000 -175.638 78.2678 182.273 78.2676 126.545 59.0024 182.273 59.0043 22.4968 GPRESSURE: 2323000 -111.744 36.5774 157.632 79.8688 149.136 148.76 136.694 56.8818 38.1826 PRESSAVG: 2323000 -74.4904 42.4809 -36.2144 42.4811 49.6197 40.815 -36.2144 40.8151 22.0487 GPRESSAVG: 2323000 -74.205 42.0476 -35.8826 41.1881 49.0477 43.2549 -34.6453 40.2337 21.7328 TIMING: 2323000 CPU: 6934.25, 0.00296269/step Wall: 6934.25, 0.00296269/step, 2.20309 hours remaining, 207.996094 MB of memory in use. ENERGY: 2323000 714.4240 2073.3307 1943.3179 110.0441 -206014.6677 17637.6276 0.0000 0.0000 34311.1804 -149224.7429 299.6481 -183535.9234 -149127.1780 299.1691 -8.8652 25.1916 555919.3556 -0.9406 -1.1415 PRESSURE: 2323200 -263.381 166.547 55.0179 166.548 102.736 -9.1415 55.0181 -9.1417 -29.6591 GPRESSURE: 2323200 -196.777 214.427 139.454 105.325 112.329 -33.5687 21.599 -37.9617 -24.8828 PRESSAVG: 2323200 -36.2368 48.9232 -31.9684 48.9232 48.2407 37.4828 -31.9684 37.4828 -31.8407 GPRESSAVG: 2323200 -37.9292 49.6744 -30.0122 48.7622 49.2182 35.8347 -33.2238 39.2661 -31.2135 TIMING: 2323200 CPU: 6934.84, 0.00296134/step Wall: 6934.84, 0.00296134/step, 2.20192 hours remaining, 207.996094 MB of memory in use. ENERGY: 2323200 670.3721 2066.9196 1919.0416 101.6867 -205848.9142 17540.0441 0.0000 0.0000 34231.7287 -149319.1213 298.9542 -183550.8501 -149214.5977 300.2351 -63.4347 -36.4436 558461.1721 -6.6123 -6.6415 PRESSURE: 2323400 138.984 317.472 69.4852 317.472 118.389 11.486 69.4853 11.486 48.298 GPRESSURE: 2323400 174.44 330.083 50.5812 293.217 123.856 -37.3988 22.477 79.2325 101.671 PRESSAVG: 2323400 -62.2376 9.02009 -30.0687 9.02012 44.8432 28.8152 -30.0687 28.8154 -4.29991 GPRESSAVG: 2323400 -61.6051 9.0924 -30.6021 9.08348 43.765 30.6089 -30.2085 28.2964 -3.3617 TIMING: 2323400 CPU: 6935.44, 0.00297507/step Wall: 6935.44, 0.00297507/step, 2.21197 hours remaining, 207.996094 MB of memory in use. ENERGY: 2323400 723.7499 2107.4287 1908.4808 109.3955 -206464.1824 18006.4111 0.0000 0.0000 34256.2361 -149352.4804 299.1682 -183608.7164 -149248.1350 298.9337 101.8903 133.3226 557235.6731 -7.2314 -7.0673 PRESSURE: 2323600 -274.081 19.3994 27.3489 19.3997 225.766 84.4262 27.3486 84.425 133.023 GPRESSURE: 2323600 -208.1 -57.5025 88.6086 90.503 274.272 -37.9786 28.0085 85.09 125.749 PRESSAVG: 2323600 -66.2139 39.9816 -32.4177 39.9815 26.2793 42.1512 -32.4178 42.1512 0.261445 GPRESSAVG: 2323600 -65.584 38.406 -32.2981 41.8901 25.5428 41.4444 -31.3656 41.4658 0.0438181 TIMING: 2323600 CPU: 6936.03, 0.00296823/step Wall: 6936.03, 0.00296823/step, 2.20671 hours remaining, 207.996094 MB of memory in use. ENERGY: 2323600 746.6191 2114.7607 1926.7114 121.2378 -206479.5794 18036.8984 0.0000 0.0000 34183.5067 -149349.8454 298.5331 -183533.3521 -149252.5165 299.5547 28.2360 63.9736 557506.6848 -13.2244 -13.3325 PRESSURE: 2323800 -432.501 -38.718 20.75 -38.7165 -107.446 -16.0916 20.7485 -16.0922 -138.489 GPRESSURE: 2323800 -408 -6.69252 72.0659 -49.3402 -42.2997 -98.856 -86.3134 47.4286 -122.178 PRESSAVG: 2323800 -95.2608 10.4371 -34.7153 10.437 13.405 -33.0779 -34.7153 -33.078 42.6981 GPRESSAVG: 2323800 -95.7891 9.96356 -34.9755 10.1665 14.4118 -32.2616 -35.9606 -32.155 42.2769 TIMING: 2323800 CPU: 6936.63, 0.00298223/step Wall: 6936.63, 0.00298223/step, 2.21696 hours remaining, 207.996094 MB of memory in use. ENERGY: 2323800 785.5094 1987.5530 1922.6144 104.9301 -206142.8307 17651.6333 0.0000 0.0000 34338.3649 -149352.2256 299.8855 -183690.5905 -149254.6585 299.0888 -226.1451 -190.8259 557977.4751 -13.0526 -13.0335 PRESSURE: 2324000 3.75843 29.7285 -75.3115 29.729 -76.8968 42.1131 -75.311 42.1131 -223.377 GPRESSURE: 2324000 -23.2809 -55.6807 -90.8427 66.8024 -23.6698 173.282 -30.7289 -45.6711 -162.145 PRESSAVG: 2324000 -16.7745 42.4978 -83.7581 42.4978 -38.4302 53.889 -83.7582 53.8891 49.8767 GPRESSAVG: 2324000 -18.0234 42.8484 -84.6919 42.9371 -37.4616 52.3834 -82.7991 53.2626 50.1789 TIMING: 2324000 CPU: 6937.22, 0.00297636/step Wall: 6937.22, 0.00297636/step, 2.21243 hours remaining, 207.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2324000 754.0369 2085.3860 1932.6608 114.0217 -206453.6876 17770.4895 0.0000 0.0000 34144.4917 -149652.6010 298.1923 -183797.0927 -149550.7012 298.1970 -98.8384 -69.6987 556424.8521 -1.7760 -1.7687 PRESSURE: 2324200 -115.043 -39.0347 -8.89688 -39.0352 155.277 1.90165 -8.89823 1.90165 -30.0597 GPRESSURE: 2324200 -69.8879 -80.5945 -117.726 32.9539 201.241 -5.25901 66.028 56.3798 -21.2415 PRESSAVG: 2324200 -15.6665 38.7057 -39.1813 38.7056 -28.7499 28.2651 -39.1812 28.2652 21.5679 GPRESSAVG: 2324200 -13.4671 37.678 -38.1633 39.6376 -31.0931 30.2863 -38.4751 28.2095 21.9652 TIMING: 2324200 CPU: 6937.82, 0.00296803/step Wall: 6937.82, 0.00296803/step, 2.20607 hours remaining, 207.996094 MB of memory in use. ENERGY: 2324200 757.3805 2098.6023 1921.5265 127.1055 -206517.2646 17874.5071 0.0000 0.0000 34088.0260 -149650.1167 297.6992 -183738.1427 -149559.2255 298.2358 3.3916 36.7038 554625.7930 -7.6162 -7.5317 LDB: ============= START OF LOAD BALANCING ============== 6941.36 LDB: ============== END OF LOAD BALANCING =============== 6941.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6941.36 LDB: ============= START OF LOAD BALANCING ============== 6941.66 LDB: Largest compute 4773 load 0.029674 is 25.1% of average load 0.118150 LDB: Average compute 0.001709 is 1.4% of average load 0.118150 LDB: TIME 6941.66 LOAD: AVG 0.11815 MAX 0.202777 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.203 MB LDB: TIME 6941.66 LOAD: AVG 0.11815 MAX 0.202777 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: TIME 6941.66 LOAD: AVG 0.11815 MAX 0.202777 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6941.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6941.67 PRESSURE: 2324400 109.99 7.48049 -24.9868 7.48055 182.488 21.7582 -24.9848 21.7581 210.615 GPRESSURE: 2324400 133.396 -8.85908 -19.4147 49.5755 208.757 -45.0825 -46.5406 37.8027 248.609 PRESSAVG: 2324400 -23.1837 0.934195 -8.22846 0.934196 -0.229642 -45.1218 -8.22839 -45.1218 50.6235 GPRESSAVG: 2324400 -23.4574 3.20096 -7.38984 -1.22118 0.413066 -45.3226 -9.8126 -47.3727 50.2246 TIMING: 2324400 CPU: 6938.42, 0.00301864/step Wall: 6938.42, 0.00301864/step, 2.24352 hours remaining, 206.714844 MB of memory in use. ENERGY: 2324400 713.5942 2077.6606 1934.8215 114.7562 -206820.9590 17870.4532 0.0000 0.0000 34366.0745 -149743.5988 300.1275 -184109.6733 -149655.3031 298.3233 167.6978 196.9207 554349.4500 9.0700 9.0601 PRESSURE: 2324600 56.8447 -67.7536 -58.6371 -67.7537 -63.0586 20.7111 -58.637 20.7119 19.6336 GPRESSURE: 2324600 100.21 -81.7256 -48.6866 -79.7457 -31.5213 50.9611 -71.5518 -10.4581 44.6055 PRESSAVG: 2324600 17.4396 -37.5609 -35.3607 -37.5609 -70.4337 16.7084 -35.3608 16.7084 30.6734 GPRESSAVG: 2324600 16.8684 -37.8193 -36.0527 -36.8678 -70.2841 17.5555 -36.0228 19.597 31.2559 TIMING: 2324600 CPU: 6939.02, 0.00297641/step Wall: 6939.02, 0.00297641/step, 2.21197 hours remaining, 206.953125 MB of memory in use. ENERGY: 2324600 737.7031 2113.4116 1931.0707 120.4527 -206765.6399 17971.9990 0.0000 0.0000 34164.3907 -149726.6122 298.3661 -183891.0029 -149637.4636 298.0653 4.4732 37.7649 556789.6355 -7.4402 -7.3866 PRESSURE: 2324800 158.284 -49.7439 -33.9967 -49.7454 146.901 72.4152 -33.9954 72.4154 -216.704 GPRESSURE: 2324800 187.747 -116.658 31.7923 24.0054 152.054 106.376 -89.841 19.0839 -140.829 PRESSAVG: 2324800 -13.8541 -24.1687 -25.4577 -24.1687 -27.6119 57.5186 -25.4577 57.5185 41.8165 GPRESSAVG: 2324800 -14.0336 -25.6133 -29.1576 -25.4475 -26.9474 56.418 -24.3105 58.5241 41.1964 TIMING: 2324800 CPU: 6939.61, 0.002966/step Wall: 6939.61, 0.002966/step, 2.20407 hours remaining, 207.011719 MB of memory in use. ENERGY: 2324800 732.6148 2064.5981 1940.3031 118.0761 -206470.2774 17791.4700 0.0000 0.0000 34057.9644 -149765.2510 297.4367 -183823.2154 -149666.4579 298.1391 29.4938 66.3240 557984.8429 0.1168 0.0718 PRESSURE: 2325000 -67.1806 -35.8086 -111.959 -35.8087 -92.3863 240.616 -111.957 240.617 -235.848 GPRESSURE: 2325000 -36.7841 -118.765 -185.388 -60.0984 -77.9914 211.245 -77.9967 326.153 -183.887 PRESSAVG: 2325000 26.5979 -75.9502 -24.3127 -75.9502 -1.67571 106.019 -24.3126 106.019 1.57894 GPRESSAVG: 2325000 25.9144 -75.7216 -22.7714 -74.4856 -1.5442 105.805 -25.4108 105.999 1.61029 TIMING: 2325000 CPU: 6940.2, 0.00294765/step Wall: 6940.2, 0.00294765/step, 2.19027 hours remaining, 207.011719 MB of memory in use. ENERGY: 2325000 754.7304 2073.1518 1933.4704 115.5973 -206822.3168 17851.1194 0.0000 0.0000 34251.0271 -149843.2204 299.1227 -184094.2475 -149747.6545 297.4709 -131.8051 -99.5542 556949.2353 8.8337 8.6602 PRESSURE: 2325200 -172.162 98.9105 -64.9153 98.9104 -169.168 -20.9831 -64.915 -20.9831 -204.786 GPRESSURE: 2325200 -145.544 73.3402 -46.6244 100.575 -119.978 6.4869 -54.312 19.7526 -177.279 PRESSAVG: 2325200 2.29587 -17.2726 -66.113 -17.2726 -59.9631 75.8242 -66.113 75.8241 26.3501 GPRESSAVG: 2325200 3.18493 -17.4736 -65.73 -18.625 -60.7153 77.3553 -64.9103 74.3704 26.0639 TIMING: 2325200 CPU: 6940.79, 0.00297774/step Wall: 6940.79, 0.00297774/step, 2.21246 hours remaining, 207.011719 MB of memory in use. ENERGY: 2325200 760.7615 2074.7877 1917.8716 106.5630 -206494.4638 17644.1827 0.0000 0.0000 34224.2185 -149766.0790 298.8886 -183990.2975 -149667.0780 297.7065 -182.0384 -147.6006 557138.4786 -10.4391 -10.4888 PRESSURE: 2325400 -209.514 -1.2344 -67.3034 -1.23512 -247.285 -47.7589 -67.3026 -47.7591 -279.32 GPRESSURE: 2325400 -238.655 6.14443 -135.562 -27.3388 -145.956 -71.3298 -86.8068 58.434 -271.226 PRESSAVG: 2325400 -1.69834 -30.1654 -44.4526 -30.1655 46.7067 -16.7187 -44.4525 -16.7189 -12.6057 GPRESSAVG: 2325400 -2.10754 -28.7962 -44.7403 -29.6334 46.5957 -18.1265 -43.5942 -15.9166 -12.0893 TIMING: 2325400 CPU: 6941.39, 0.0029549/step Wall: 6941.39, 0.0029549/step, 2.19533 hours remaining, 207.011719 MB of memory in use. ENERGY: 2325400 718.7530 2103.3062 1939.9637 126.7865 -206207.9548 17485.2118 0.0000 0.0000 34257.7254 -149576.2082 299.1812 -183833.9336 -149473.6934 298.4929 -245.3728 -218.6123 558945.4491 10.8009 10.7996 PRESSURE: 2325600 123.082 -231.848 131.106 -231.848 256.968 136.519 131.107 136.519 -184.992 GPRESSURE: 2325600 150.871 -242.616 114.376 -172.674 246.356 130.771 123.535 137.997 -115.071 PRESSAVG: 2325600 -23.6495 1.21941 -37.3548 1.21942 64.0847 7.42444 -37.3547 7.4245 -38.3555 GPRESSAVG: 2325600 -23.4527 0.559789 -37.241 2.04845 63.9365 8.5622 -39.3571 6.05436 -38.8554 TIMING: 2325600 CPU: 6941.98, 0.00296623/step Wall: 6941.98, 0.00296623/step, 2.20358 hours remaining, 207.011719 MB of memory in use. ENERGY: 2325600 735.5503 2064.3506 1947.8703 112.9928 -206806.3071 18096.3011 0.0000 0.0000 34130.5755 -149718.6664 298.0708 -183849.2419 -149620.5372 298.7555 65.0193 94.0521 557460.8811 0.6932 0.5428 PRESSURE: 2325800 -197.662 36.9789 -49.2968 36.9793 -91.2938 -129.593 -49.2971 -129.592 -271.56 GPRESSURE: 2325800 -128.393 -6.02003 -64.4443 62.3699 -83.0831 -32.9831 -68.0759 -129.327 -256.044 PRESSAVG: 2325800 -18.6652 -8.80322 34.839 -8.80311 16.4139 15.9545 34.839 15.9544 -2.29472 GPRESSAVG: 2325800 -19.6076 -8.76715 36.5157 -7.56669 16.5675 12.2896 36.2017 18.3793 -1.45769 TIMING: 2325800 CPU: 6942.58, 0.00299205/step Wall: 6942.58, 0.00299205/step, 2.22259 hours remaining, 207.011719 MB of memory in use. ENERGY: 2325800 774.3433 2080.4325 1928.4412 116.7949 -206685.0194 17787.6062 0.0000 0.0000 34254.3938 -149743.0075 299.1521 -183997.4014 -149640.4976 298.3097 -186.8388 -155.8401 557441.6275 -1.5153 -1.4992 PRESSURE: 2326000 -24.5465 -198.752 57.4726 -198.753 -66.6262 -6.25729 57.4722 -6.25802 42.9156 GPRESSURE: 2326000 -8.61126 -256.734 72.174 -222.139 24.1087 -25.6201 44.3053 2.24381 26.4608 PRESSAVG: 2326000 39.195 -69.5359 25.161 -69.5359 30.953 -45.813 25.1609 -45.8131 -33.3555 GPRESSAVG: 2326000 39.8616 -70.0399 23.3859 -72.9324 30.8155 -41.7716 24.3948 -47.1467 -33.2851 TIMING: 2326000 CPU: 6943.18, 0.0029899/step Wall: 6943.18, 0.0029899/step, 2.22083 hours remaining, 207.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2326000 749.7948 2071.7645 1912.5521 105.5106 -206542.5395 17967.7041 0.0000 0.0000 34142.0521 -149593.1613 298.1710 -183735.2134 -149497.9097 298.5817 -16.0857 13.9861 556904.3370 12.2641 12.4640 PRESSURE: 2326200 -132.206 -106.312 -24.5048 -106.313 43.3113 -99.8501 -24.5058 -99.8494 -81.1911 GPRESSURE: 2326200 -41.9452 -36.7978 39.8101 -62.7627 70.1234 -101.952 -48.1935 -43.6534 -104.896 PRESSAVG: 2326200 20.2343 -56.0648 -42.232 -56.0648 -14.1146 -36.8081 -42.2318 -36.808 -8.69632 GPRESSAVG: 2326200 19.2339 -55.2825 -42.5225 -55.3373 -12.6981 -38.9633 -41.2881 -36.6851 -9.16168 TIMING: 2326200 CPU: 6943.77, 0.00298949/step Wall: 6943.77, 0.00298949/step, 2.22036 hours remaining, 207.011719 MB of memory in use. ENERGY: 2326200 757.2671 2104.0896 1926.2476 117.7846 -206178.1687 17740.5154 0.0000 0.0000 33927.0962 -149605.1682 296.2938 -183532.2644 -149511.3938 297.7790 -56.6954 -25.5727 559166.5962 -0.8589 -0.8753 PRESSURE: 2326400 -58.1893 134.484 -110.013 134.484 -20.6524 -102.166 -110.013 -102.165 -27.5425 GPRESSURE: 2326400 -6.67113 152.635 -23.0839 75.7036 -51.3442 -130.197 -40.8041 -39.2347 41.494 PRESSAVG: 2326400 -8.18167 -11.8349 -24.2095 -11.8348 -2.83807 -23.6145 -24.2094 -23.6145 8.39563 GPRESSAVG: 2326400 -7.01207 -11.2199 -23.1792 -12.5343 -3.4114 -23.3393 -24.6061 -22.0705 7.84119 TIMING: 2326400 CPU: 6944.37, 0.0029763/step Wall: 6944.37, 0.0029763/step, 2.2104 hours remaining, 207.011719 MB of memory in use. ENERGY: 2326400 760.9858 2027.3630 1938.1823 109.0091 -206280.5290 17855.2567 0.0000 0.0000 34086.2709 -149503.4612 297.6839 -183589.7322 -149407.1190 298.2447 -35.4614 -5.5071 556444.0761 -0.8747 -0.8608 PRESSURE: 2326600 -265.108 -5.36665 -0.950485 -5.36596 -154.084 -130.625 -0.950398 -130.626 -269.968 GPRESSURE: 2326600 -276.452 58.9358 -65.2716 44.6276 -123.715 -72.7496 94.977 -93.0076 -201.296 PRESSAVG: 2326600 -14.2286 -1.40756 -56.0581 -1.40752 56.695 -25.983 -56.0581 -25.9832 -26.1782 GPRESSAVG: 2326600 -14.9702 -2.80061 -55.3355 -0.69024 55.9475 -23.8815 -55.9506 -27.9654 -25.1155 TIMING: 2326600 CPU: 6944.96, 0.00297848/step Wall: 6944.96, 0.00297848/step, 2.21185 hours remaining, 207.011719 MB of memory in use. ENERGY: 2326600 764.1706 2055.0279 1937.0454 114.5059 -206355.4940 17614.2628 0.0000 0.0000 34296.6518 -149573.8297 299.5212 -183870.4815 -149476.5053 299.1793 -229.7201 -200.4875 557560.5639 5.4294 5.2873 PRESSURE: 2326800 -192.008 -21.8763 -117.526 -21.8761 27.5662 37.239 -117.525 37.2354 -23.8308 GPRESSURE: 2326800 -96.3002 -52.5485 -85.0484 7.80967 42.7439 70.8044 -76.5808 15.5209 -48.3545 PRESSAVG: 2326800 -9.08434 -20.5393 -40.1345 -20.5393 23.383 7.88923 -40.1345 7.88922 -11.7276 GPRESSAVG: 2326800 -9.80198 -19.2481 -42.7938 -19.6626 23.2947 4.74532 -39.3729 11.2694 -11.0864 TIMING: 2326800 CPU: 6945.56, 0.00300164/step Wall: 6945.56, 0.00300164/step, 2.22889 hours remaining, 207.011719 MB of memory in use. ENERGY: 2326800 734.6432 2078.8775 1918.9145 115.1505 -206321.0438 17683.0678 0.0000 0.0000 34403.8490 -149386.5412 300.4574 -183790.3903 -149292.1343 299.3635 -62.7575 -33.9703 557091.2265 0.8570 0.8021 PRESSURE: 2327000 -44.1745 -29.3602 -41.9862 -29.3607 117.475 29.1547 -41.9859 29.155 -14.1365 GPRESSURE: 2327000 -44.8857 -11.8798 -4.08706 -67.5433 193.584 6.16965 -51.1504 10.9189 9.69405 PRESSAVG: 2327000 -33.3836 -21.9943 -46.6359 -21.9943 -4.4465 -39.9826 -46.636 -39.9825 27.9589 GPRESSAVG: 2327000 -32.1388 -22.0487 -43.7714 -23.9459 -4.93842 -37.576 -50.2902 -43.1017 27.2048 TIMING: 2327000 CPU: 6946.16, 0.00300183/step Wall: 6946.16, 0.00300183/step, 2.22886 hours remaining, 207.011719 MB of memory in use. ENERGY: 2327000 699.1908 2172.3791 1927.4734 105.3961 -206506.2859 17968.3523 0.0000 0.0000 34305.7090 -149327.7853 299.6003 -183633.4942 -149232.3578 299.1387 19.7214 52.7974 557543.7102 -3.2904 -3.2908 PRESSURE: 2327200 -202.471 -84.4005 -148.652 -84.3993 -142.507 118.692 -148.651 118.693 60.7602 GPRESSURE: 2327200 -215.043 -116.77 -196.639 -99.144 -109.045 85.3434 -71.3541 103.624 152.302 PRESSAVG: 2327200 11.6376 -18.1623 35.3047 -18.1623 14.6334 22.0548 35.3046 22.055 -1.20094 GPRESSAVG: 2327200 11.4047 -20.4895 33.717 -16.0192 13.7315 20.863 38.1608 22.8403 -0.600959 TIMING: 2327200 CPU: 6946.76, 0.00298661/step Wall: 6946.76, 0.00298661/step, 2.21739 hours remaining, 207.011719 MB of memory in use. ENERGY: 2327200 750.6103 2148.5720 1918.1977 102.7533 -205932.2532 17703.6123 0.0000 0.0000 34152.0234 -149156.4840 298.2581 -183308.5074 -149060.1643 299.2195 -94.7394 -57.2620 558058.3367 8.3567 8.1784 PRESSURE: 2327400 49.0508 -31.9894 -53.3457 -31.99 165.153 -124.237 -53.3463 -124.237 64.2002 GPRESSURE: 2327400 73.33 -64.4552 -38.7003 -98.0225 208.287 -152.117 -114.386 -89.7386 95.7902 PRESSAVG: 2327400 -44.2872 -23.5557 18.7603 -23.5558 -38.7611 -28.6089 18.7604 -28.6089 76.8863 GPRESSAVG: 2327400 -44.7116 -23.205 19.6625 -23.756 -37.6243 -27.5011 17.4481 -30.2281 76.4063 TIMING: 2327400 CPU: 6947.36, 0.00299908/step Wall: 6947.36, 0.00299908/step, 2.22648 hours remaining, 207.011719 MB of memory in use. ENERGY: 2327400 728.3218 2092.1053 1910.9570 116.7780 -206461.1221 18012.6648 0.0000 0.0000 34340.2447 -149260.0504 299.9019 -183600.2951 -149156.6713 299.5604 92.8015 125.8025 557413.9988 -2.0540 -1.9766 PRESSURE: 2327600 -117.142 -104.025 163.134 -104.024 50.9288 32.3213 163.135 32.3201 -56.1599 GPRESSURE: 2327600 -142.977 37.6088 214.282 -119.355 106.702 71.8396 154.238 57.1466 8.91144 PRESSAVG: 2327600 -11.0475 10.5776 -2.58246 10.5777 -1.03936 -2.60835 -2.58249 -2.60839 5.69509 GPRESSAVG: 2327600 -10.838 11.143 -3.95244 9.53089 -1.52285 -2.47254 -1.68394 -3.65412 6.88242 TIMING: 2327600 CPU: 6947.96, 0.0030065/step Wall: 6947.96, 0.0030065/step, 2.23183 hours remaining, 207.011719 MB of memory in use. ENERGY: 2327600 742.7132 2091.3276 1931.5146 125.4428 -206348.8139 17884.0053 0.0000 0.0000 34117.4294 -149456.3811 297.9560 -183573.8105 -149361.3387 298.8915 -40.7909 -9.1213 558083.0033 -2.1306 -1.8261 PRESSURE: 2327800 -84.1141 -85.2669 26.6547 -85.2664 -162.839 22.6092 26.6549 22.6101 -445.176 GPRESSURE: 2327800 -130.74 20.5726 37.7615 -186.747 -79.614 101.046 23.9944 -0.396457 -394.025 PRESSAVG: 2327800 13.026 -60.117 42.9787 -60.1171 -16.7749 30.8615 42.9787 30.8617 27.3929 GPRESSAVG: 2327800 13.1907 -60.4101 43.8455 -60.9045 -15.7712 28.3848 40.7827 33.2028 26.7858 TIMING: 2327800 CPU: 6948.56, 0.00297845/step Wall: 6948.56, 0.00297845/step, 2.21084 hours remaining, 207.011719 MB of memory in use. ENERGY: 2327800 729.9566 2087.7563 1921.5326 115.1062 -205831.7682 17375.7692 0.0000 0.0000 34222.7696 -149378.8777 298.8760 -183601.6474 -149286.8539 298.9736 -230.7094 -201.4597 558788.8669 7.8813 8.0684 PRESSURE: 2328000 70.6692 134.175 95.0171 134.175 -526.911 -53.0849 95.0181 -53.0823 -65.967 GPRESSURE: 2328000 88.6103 88.6189 61.9841 104.092 -461.984 -21.6819 95.8703 -58.0221 -42.6332 PRESSAVG: 2328000 6.38447 -44.6913 29.4903 -44.6912 -10.3294 -30.576 29.4903 -30.5759 30.5866 GPRESSAVG: 2328000 6.89641 -44.3628 29.0285 -46.5161 -10.5215 -30.644 31.3137 -31.701 30.2851 TIMING: 2328000 CPU: 6949.15, 0.00296256/step Wall: 6949.15, 0.00296256/step, 2.19888 hours remaining, 207.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2328000 734.7778 2121.8153 1928.7014 112.7938 -206149.3289 17580.6367 0.0000 0.0000 34132.7795 -149537.8244 298.0901 -183670.6039 -149446.0376 298.5724 -174.0695 -138.6690 556638.9727 8.8806 8.8866 PRESSURE: 2328200 -145.888 -142.008 83.7854 -142.007 -31.711 -80.6502 83.7843 -80.6496 -113.232 GPRESSURE: 2328200 -61.5187 -189.219 136.819 -94.0036 -34.3093 -106.034 22.4101 -14.4812 -88.9852 PRESSAVG: 2328200 25.5317 -4.41863 50.5869 -4.4186 -37.2732 -2.48535 50.5869 -2.48529 36.8749 GPRESSAVG: 2328200 25.9329 -2.44854 49.258 -2.73849 -37.1887 -0.729004 49.5085 -2.74144 36.4322 TIMING: 2328200 CPU: 6949.75, 0.00296987/step Wall: 6949.75, 0.00296987/step, 2.20414 hours remaining, 207.011719 MB of memory in use. ENERGY: 2328200 750.5800 2037.4533 1924.5890 115.8059 -206181.6257 17711.9963 0.0000 0.0000 34304.0112 -149337.1900 299.5855 -183641.2011 -149239.4558 298.8941 -96.9437 -61.6044 556825.1994 8.3778 8.3921 LDB: ============= START OF LOAD BALANCING ============== 6953.29 LDB: ============== END OF LOAD BALANCING =============== 6953.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6953.29 LDB: ============= START OF LOAD BALANCING ============== 6953.59 LDB: Largest compute 4773 load 0.030588 is 25.9% of average load 0.118203 LDB: Average compute 0.001723 is 1.5% of average load 0.118203 LDB: TIME 6953.59 LOAD: AVG 0.118203 MAX 0.200878 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.121 MB LDB: TIME 6953.59 LOAD: AVG 0.118203 MAX 0.200878 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.18 MB LDB: TIME 6953.59 LOAD: AVG 0.118203 MAX 0.200878 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.18 MB LDB: ============== END OF LOAD BALANCING =============== 6953.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6953.6 PRESSURE: 2328400 -67.778 94.8613 9.55358 94.8623 -310.109 87.0973 9.55342 87.0981 -237.317 GPRESSURE: 2328400 -40.3076 32.9514 11.4483 122.697 -285.695 155.409 -58.4881 3.0051 -185.745 PRESSAVG: 2328400 -14.1396 18.2811 37.591 18.2811 56.9296 33.4562 37.5911 33.4562 -38.166 GPRESSAVG: 2328400 -14.5231 15.5291 39.8331 18.6792 56.5129 31.6264 37.0155 33.4948 -37.3313 TIMING: 2328400 CPU: 6950.35, 0.00300429/step Wall: 6950.35, 0.00300429/step, 2.22952 hours remaining, 207.890625 MB of memory in use. ENERGY: 2328400 774.3045 2076.7725 1893.7077 103.3923 -206145.1765 17648.3334 0.0000 0.0000 34112.9078 -149535.7583 297.9165 -183648.6661 -149439.6598 298.6172 -205.0679 -170.5826 558581.5196 1.5414 1.5528 PRESSURE: 2328600 320.862 34.9305 6.55186 34.9295 96.1175 -217.489 6.55036 -217.487 80.1709 GPRESSURE: 2328600 332.256 -12.1773 40.4096 28.0544 111.132 -204.895 31.4106 -263.447 146.072 PRESSAVG: 2328600 45.619 -1.19147 4.47026 -1.19145 -9.18349 -49.5543 4.47019 -49.5542 -16.6205 GPRESSAVG: 2328600 46.2523 -1.01125 4.01961 -1.97766 -8.93466 -48.6414 6.94407 -48.4477 -17.1917 TIMING: 2328600 CPU: 6950.94, 0.00297337/step Wall: 6950.94, 0.00297337/step, 2.20641 hours remaining, 208.089844 MB of memory in use. ENERGY: 2328600 733.5443 2089.0770 1894.9517 114.1767 -206833.5311 18140.6584 0.0000 0.0000 34297.0745 -149564.0485 299.5249 -183861.1230 -149477.7716 298.0582 165.7167 196.4868 557957.8267 6.6050 6.7086 PRESSURE: 2328800 99.8208 -119.017 45.8384 -119.019 -165.042 -139.853 45.8381 -139.854 193.049 GPRESSURE: 2328800 125.8 -78.146 54.4206 -65.0076 -119.772 -74.9278 -0.569912 -100.502 217.552 PRESSAVG: 2328800 5.20059 -33.7341 40.6493 -33.7341 -56.503 1.89997 40.6493 1.90008 24.4763 GPRESSAVG: 2328800 3.72258 -33.1827 40.5693 -33.2562 -56.2176 4.15117 37.9581 0.137153 25.1213 TIMING: 2328800 CPU: 6951.54, 0.00297471/step Wall: 6951.54, 0.00297471/step, 2.20724 hours remaining, 208.089844 MB of memory in use. ENERGY: 2328800 724.2279 2098.9633 1960.0209 117.8508 -206349.6355 17848.0351 0.0000 0.0000 33944.9402 -149655.5972 296.4496 -183600.5375 -149561.9057 298.5089 42.6094 74.5265 557643.3627 -8.9420 -9.1246 PRESSURE: 2329000 -214.583 26.1708 -16.8362 26.1722 245.981 -201.124 -16.836 -201.123 125.186 GPRESSURE: 2329000 -102.272 40.0932 8.00485 33.064 220.392 -67.8835 -53.4029 -272.74 137.817 PRESSAVG: 2329000 17.7457 -42.8665 33.1177 -42.8665 -46.259 -34.8852 33.1176 -34.8853 47.0522 GPRESSAVG: 2329000 18.7368 -40.7965 32.1636 -44.4814 -46.311 -36.7479 35.3735 -32.5573 45.7846 TIMING: 2329000 CPU: 6952.13, 0.00297159/step Wall: 6952.13, 0.00297159/step, 2.20475 hours remaining, 208.089844 MB of memory in use. ENERGY: 2329000 723.6349 2109.1411 1917.8953 108.0646 -206723.9186 18011.1575 0.0000 0.0000 34212.4257 -149641.5995 298.7856 -183854.0252 -149549.2101 298.1142 52.1946 85.3122 556537.4549 6.1796 6.0701 PRESSURE: 2329200 -296.067 -21.9508 35.2734 -21.9496 -64.5476 -90.8601 35.2742 -90.8594 -108.45 GPRESSURE: 2329200 -262.42 -52.267 17.2694 -49.6076 -49.5239 -83.5188 126.036 -80.4208 -52.1482 PRESSAVG: 2329200 -15.6547 -29.4425 33.1361 -29.4426 23.4059 -5.9531 33.1362 -5.95305 27.6576 GPRESSAVG: 2329200 -17.0516 -32.1588 34.64 -29.1456 23.0914 -5.31086 32.9768 -6.29439 28.8655 TIMING: 2329200 CPU: 6952.72, 0.00295691/step Wall: 6952.72, 0.00295691/step, 2.1937 hours remaining, 208.089844 MB of memory in use. ENERGY: 2329200 783.4689 2096.5189 1924.2287 100.5345 -206844.5004 17765.7935 0.0000 0.0000 34486.2459 -149687.7101 301.1770 -184173.9560 -149596.0388 298.2664 -156.3548 -121.3642 556023.6544 11.8030 11.6351 PRESSURE: 2329400 103.748 -22.5098 5.80815 -22.5106 -134.957 62.2477 5.80921 62.248 65.2139 GPRESSURE: 2329400 117.764 16.9927 76.7224 -49.7857 -138.577 49.8334 -51.7662 98.8971 141.315 PRESSAVG: 2329400 13.4326 -1.79832 15.8794 -1.7983 38.8344 42.6113 15.8795 42.6114 -16.6422 GPRESSAVG: 2329400 13.5894 -0.25826 16.1318 -0.690497 39.1146 41.4198 14.7614 44.8364 -17.1175 TIMING: 2329400 CPU: 6953.31, 0.00296552/step Wall: 6953.31, 0.00296552/step, 2.19992 hours remaining, 208.089844 MB of memory in use. ENERGY: 2329400 725.1834 2080.3853 1947.6825 123.5637 -206486.1566 17801.3174 0.0000 0.0000 34243.0787 -149564.9456 299.0533 -183808.0243 -149472.5202 298.6215 11.3349 40.1675 556203.0988 11.8749 11.8622 PRESSURE: 2329600 123.285 90.0125 -58.361 90.012 81.5074 -11.3913 -58.3625 -11.3886 -0.0619764 GPRESSURE: 2329600 153.918 47.29 -47.6699 70.8003 92.8856 -15.2381 -125.8 -43.5928 41.613 PRESSAVG: 2329600 -15.686 -22.475 -11.768 -22.4749 32.4526 30.3869 -11.7681 30.3869 -7.23247 GPRESSAVG: 2329600 -14.2324 -24.5067 -13.4207 -22.8428 31.0205 31.5143 -11.8856 28.0719 -7.72828 TIMING: 2329600 CPU: 6953.91, 0.00297644/step Wall: 6953.91, 0.00297644/step, 2.20785 hours remaining, 208.089844 MB of memory in use. ENERGY: 2329600 712.0468 2062.8783 1930.5030 115.0180 -206355.4801 17926.1401 0.0000 0.0000 34252.0308 -149356.8632 299.1315 -183608.8940 -149264.0746 299.2842 68.2434 96.1387 555516.5810 3.1780 3.0200 PRESSURE: 2329800 -7.41595 -81.1468 -70.5478 -81.1482 -164.495 59.103 -70.5471 59.1011 -274.237 GPRESSURE: 2329800 43.9622 -96.1944 64.9026 -128.563 -166.037 26.7214 -110.2 43.4699 -222.473 PRESSAVG: 2329800 17.3815 -47.6265 -62.4883 -47.6264 5.9743 8.49087 -62.4884 8.49073 -42.383 GPRESSAVG: 2329800 16.7025 -49.6242 -61.7879 -46.2308 6.82284 5.55811 -62.8618 10.5189 -42.5819 TIMING: 2329800 CPU: 6954.5, 0.00297295/step Wall: 6954.5, 0.00297295/step, 2.2051 hours remaining, 208.089844 MB of memory in use. ENERGY: 2329800 772.3291 2133.7128 1919.4298 100.9477 -206071.8608 17476.7772 0.0000 0.0000 34438.1728 -149230.4914 300.7571 -183668.6642 -149140.5171 299.6559 -148.7161 -114.8493 556671.2323 -6.3424 -6.3522 PRESSURE: 2330000 317.015 -25.7328 54.7859 -25.7319 -131.053 -134.865 54.7859 -134.865 8.11165 GPRESSURE: 2330000 323.528 -78.0733 0.94174 -44.7413 -50.6192 -121.566 80.7656 -53.9836 22.583 PRESSAVG: 2330000 -11.0383 -47.3114 -21.5884 -47.3114 -9.81281 53.5638 -21.5884 53.5638 39.866 GPRESSAVG: 2330000 -11.8907 -46.4143 -22.3333 -46.9036 -8.3283 56.3482 -21.4142 51.6988 39.1398 TIMING: 2330000 CPU: 6955.1, 0.00298741/step Wall: 6955.1, 0.00298741/step, 2.21566 hours remaining, 208.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2330000 704.8035 2088.4006 1906.7652 120.6343 -206257.6383 17758.2289 0.0000 0.0000 34424.6387 -149254.1671 300.6389 -183678.8058 -149151.5327 299.3184 64.6913 98.4974 555315.3509 6.3383 6.3069 PRESSURE: 2330200 -99.7269 10.2817 16.5118 10.2817 119.06 45.8981 16.5109 45.8975 -30.2435 GPRESSURE: 2330200 -121.023 -67.2589 -14.3044 72.7524 164.875 71.2738 113.375 79.015 41.5936 PRESSAVG: 2330200 -7.27244 -46.1022 5.91719 -46.1022 17.3576 -17.2964 5.91716 -17.2964 -40.0198 GPRESSAVG: 2330200 -5.93605 -45.9208 7.00796 -45.8958 16.3296 -17.1775 6.5617 -19.4545 -39.5355 TIMING: 2330200 CPU: 6955.69, 0.00295857/step Wall: 6955.69, 0.00295857/step, 2.19411 hours remaining, 208.089844 MB of memory in use. ENERGY: 2330200 776.3841 2108.9843 1934.7859 121.5852 -206524.9961 17977.7659 0.0000 0.0000 34640.9029 -148964.5879 302.5276 -183605.4908 -148873.6574 299.4371 -3.6367 28.4819 556615.4860 -9.9782 -9.7140 PRESSURE: 2330400 -177.882 56.9826 -104.472 56.9821 -319.671 -5.97689 -104.471 -5.9767 -253.719 GPRESSURE: 2330400 -175.038 110.868 -82.406 59.0194 -324.57 -115.991 -126.203 63.1704 -153.36 PRESSAVG: 2330400 60.9739 14.5296 -23.9721 14.5296 -94.0293 44.2562 -23.9721 44.2561 35.05 GPRESSAVG: 2330400 60.062 14.8257 -26.7642 11.8803 -94.1267 44.3297 -22.0854 46.1842 36.2501 TIMING: 2330400 CPU: 6956.29, 0.00296517/step Wall: 6956.29, 0.00296517/step, 2.19884 hours remaining, 208.089844 MB of memory in use. ENERGY: 2330400 756.4280 2119.2761 1940.8246 119.0811 -205559.0196 17400.2421 0.0000 0.0000 34407.4329 -148815.7349 300.4887 -183223.1677 -148705.7672 300.1648 -250.4238 -217.6561 557523.0860 0.6648 0.7285 PRESSURE: 2330600 -198.508 26.8496 31.7847 26.8492 -170.879 -77.6917 31.7828 -77.6905 -135.842 GPRESSURE: 2330600 -204.333 36.7464 91.009 -42.5123 -136.085 -45.458 41.4217 -125.633 -80.6009 PRESSAVG: 2330600 -54.9339 -0.157483 14.3535 -0.157454 75.0681 24.0513 14.3534 24.0514 -35.1769 GPRESSAVG: 2330600 -53.6662 0.801573 15.8513 -0.446523 75.1016 25.9401 16.6276 23.1996 -36.5692 TIMING: 2330600 CPU: 6956.88, 0.0029482/step Wall: 6956.88, 0.0029482/step, 2.18609 hours remaining, 208.089844 MB of memory in use. ENERGY: 2330600 736.7384 2130.3526 1951.3961 96.7151 -205644.6473 17321.0914 0.0000 0.0000 34408.5955 -148999.7584 300.4988 -183408.3539 -148902.7353 300.3953 -168.4097 -140.3397 559111.9254 -5.0143 -5.0446 PRESSURE: 2330800 174.182 116.726 -74.4545 116.725 51.8844 79.1535 -74.4542 79.1547 42.8166 GPRESSURE: 2330800 185.928 98.0836 -54.4102 146.453 97.7196 52.1052 -96.6723 124.012 77.2605 PRESSAVG: 2330800 4.84323 46.7542 1.24443 46.7542 12.3695 19.3803 1.24447 19.3802 0.472479 GPRESSAVG: 2330800 3.14451 46.8307 2.84733 47.3201 13.3624 16.1595 -2.47994 19.7432 1.1332 TIMING: 2330800 CPU: 6957.46, 0.00293389/step Wall: 6957.46, 0.00293389/step, 2.17532 hours remaining, 208.089844 MB of memory in use. ENERGY: 2330800 704.0787 2139.3259 1941.4439 116.3126 -205812.4025 17565.1458 0.0000 0.0000 34344.1896 -149001.9060 299.9364 -183346.0956 -148898.9545 300.1325 89.6278 120.3028 558215.8338 5.8951 5.8800 PRESSURE: 2331000 -26.017 -27.0039 -239.623 -27.0036 -104.42 -15.5809 -239.623 -15.58 -234.901 GPRESSURE: 2331000 23.6653 -44.0047 -220.722 -18.9007 -71.449 -63.0421 -237.15 2.53844 -228.371 PRESSAVG: 2331000 -15.0861 -9.37303 -41.2901 -9.37307 -26.4984 -4.07901 -41.2901 -4.07899 14.7066 GPRESSAVG: 2331000 -12.9769 -9.68999 -41.8226 -10.9618 -28.1357 -4.31587 -40.6441 -2.18211 14.6474 TIMING: 2331000 CPU: 6958.05, 0.00293863/step Wall: 6958.05, 0.00293863/step, 2.17867 hours remaining, 208.089844 MB of memory in use. ENERGY: 2331000 780.7880 2122.0202 1895.1103 102.2903 -206027.5986 17687.7894 0.0000 0.0000 34345.9572 -149093.6432 299.9518 -183439.6004 -148987.4748 300.2385 -121.7795 -92.0517 557779.8987 -8.9593 -8.8217 PRESSURE: 2331200 -17.1049 -8.57264 113.798 -8.5703 -79.09 59.7055 113.799 59.706 93.7784 GPRESSURE: 2331200 1.31701 -37.5453 129.454 -24.5937 -15.4258 140.195 43.5049 28.0673 101.651 PRESSAVG: 2331200 16.6386 9.50145 11.5605 9.50148 -47.2306 4.15776 11.5605 4.15787 21.9767 GPRESSAVG: 2331200 14.7463 11.4999 8.76796 11.9932 -45.4291 5.82105 11.9612 3.55705 22.5214 TIMING: 2331200 CPU: 6958.64, 0.00293503/step Wall: 6958.64, 0.00293503/step, 2.17584 hours remaining, 208.101562 MB of memory in use. ENERGY: 2331200 733.9805 2129.1915 1908.6387 101.0685 -206073.5160 17763.6649 0.0000 0.0000 34450.8472 -148986.1247 300.8678 -183436.9719 -148886.4835 300.0383 -0.8055 29.1809 558042.6626 -2.8717 -2.7205 PRESSURE: 2331400 27.0826 -65.3795 -74.8933 -65.3804 213.284 16.1833 -74.8939 16.1848 88.177 GPRESSURE: 2331400 74.5305 8.74623 -40.3853 -146.753 273.156 -112.072 -44.1557 -37.0153 78.5452 PRESSAVG: 2331400 22.323 60.5242 32.7517 60.5243 6.82786 -25.5026 32.7517 -25.5026 -7.26784 GPRESSAVG: 2331400 22.8747 59.9178 34.4364 59.3388 5.67823 -26.9078 33.9535 -24.6526 -6.54752 TIMING: 2331400 CPU: 6959.23, 0.00295006/step Wall: 6959.23, 0.00295006/step, 2.18682 hours remaining, 208.101562 MB of memory in use. ENERGY: 2331400 738.4206 2115.5534 1908.1004 104.8588 -206047.7077 17905.5390 0.0000 0.0000 34388.0672 -148887.1683 300.3195 -183275.2355 -148785.1172 299.8745 109.5147 142.0771 558653.7375 7.2943 7.3352 PRESSURE: 2331600 -211.338 -67.2084 97.4957 -67.2086 97.1139 189.334 97.4957 189.333 102.702 GPRESSURE: 2331600 -159.717 -46.0295 115.383 24.9861 127.153 189.663 96.9083 204.269 113.58 PRESSAVG: 2331600 49.1513 -3.70916 -4.88128 -3.70911 15.5127 0.83488 -4.88129 0.834889 -35.8343 GPRESSAVG: 2331600 49.9872 -2.24395 -2.087 -4.28454 16.1965 2.7232 -8.84407 -3.35999 -37.3758 TIMING: 2331600 CPU: 6959.82, 0.00295773/step Wall: 6959.82, 0.00295773/step, 2.19234 hours remaining, 208.101562 MB of memory in use. ENERGY: 2331600 726.5765 2129.4396 1921.8148 118.1263 -206376.0874 17847.7577 0.0000 0.0000 34548.1414 -149084.2311 301.7175 -183632.3725 -148991.2764 299.8091 -3.8408 27.0052 557873.9483 9.6099 9.6027 PRESSURE: 2331800 -235.937 3.5645 -61.4211 3.56595 -211.158 55.4178 -61.4219 55.4191 -306.082 GPRESSURE: 2331800 -159.38 -28.6468 -34.6713 5.09869 -188.832 -7.09703 -103.744 -1.29189 -298.557 PRESSAVG: 2331800 -6.11232 -44.7831 30.0661 -44.7831 21.2691 52.2037 30.0661 52.2037 -48.4855 GPRESSAVG: 2331800 -6.94046 -46.6269 26.8223 -44.4359 21.218 51.375 33.1641 53.6264 -47.7845 TIMING: 2331800 CPU: 6960.41, 0.0029468/step Wall: 6960.41, 0.0029468/step, 2.18407 hours remaining, 208.101562 MB of memory in use. ENERGY: 2331800 789.0922 2077.3863 1931.6474 110.2983 -205803.0315 17589.4271 0.0000 0.0000 34285.1262 -149020.0540 299.4205 -183305.1802 -148916.6084 299.7267 -251.0589 -215.5896 560193.2455 -11.1096 -11.1690 PRESSURE: 2332000 -87.0375 99.2116 -40.2999 99.2132 -119.705 -61.579 -40.3011 -61.5778 112.984 GPRESSURE: 2332000 -59.6223 111.822 -95.2709 30.1392 -89.9094 36.8508 -36.3073 -206.008 137.257 PRESSAVG: 2332000 30.5472 12.372 5.62332 12.372 30.325 13.5504 5.62338 13.5503 -76.3666 GPRESSAVG: 2332000 29.4534 11.7167 7.53857 13.0317 30.989 13.0273 5.34349 14.9408 -75.539 TIMING: 2332000 CPU: 6960.99, 0.00292587/step Wall: 6960.99, 0.00292587/step, 2.16839 hours remaining, 208.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2332000 753.6627 2097.9822 1924.7563 115.4100 -205674.5898 17638.2008 0.0000 0.0000 34051.3756 -149093.2023 297.3791 -183144.5778 -148996.4517 299.5346 -31.2527 -4.0917 557943.3510 -5.1648 -5.0322 PRESSURE: 2332200 -5.67461 28.3938 -33.4825 28.3931 -35.9483 -74.6012 -33.483 -74.5996 54.8919 GPRESSURE: 2332200 78.3306 24.1854 2.93401 28.8195 -43.6582 17.834 -51.6158 -55.3967 86.4747 PRESSAVG: 2332200 24.8317 -34.3937 55.9235 -34.3936 -3.7398 -29.5445 55.9235 -29.5446 -5.44747 GPRESSAVG: 2332200 25.3434 -33.0298 55.5829 -35.0979 -3.57075 -27.4501 57.4514 -30.7431 -6.33004 TIMING: 2332200 CPU: 6961.58, 0.002928/step Wall: 6961.58, 0.002928/step, 2.16981 hours remaining, 208.101562 MB of memory in use. ENERGY: 2332200 781.9648 2077.3567 1907.8172 117.3857 -206243.8195 17931.8177 0.0000 0.0000 34322.3201 -149105.1573 299.7454 -183427.4774 -149013.2542 299.0676 4.4230 40.3824 558115.5245 5.2148 5.1475 LDB: ============= START OF LOAD BALANCING ============== 6965.13 LDB: ============== END OF LOAD BALANCING =============== 6965.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6965.13 LDB: ============= START OF LOAD BALANCING ============== 6965.42 LDB: Largest compute 4773 load 0.029948 is 25.3% of average load 0.118156 LDB: Average compute 0.001718 is 1.5% of average load 0.118156 LDB: TIME 6965.43 LOAD: AVG 0.118156 MAX 0.200134 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.188 MB LDB: TIME 6965.43 LOAD: AVG 0.118156 MAX 0.200134 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.188 MB LDB: TIME 6965.43 LOAD: AVG 0.118156 MAX 0.200134 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6965.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6965.43 PRESSURE: 2332400 41.7745 -14.1619 82.8627 -14.1615 38.4996 152.83 82.8619 152.831 138.108 GPRESSURE: 2332400 38.7485 -18.6844 94.4104 -56.8862 95.8689 126.534 41.273 142.881 173.591 PRESSAVG: 2332400 6.69724 6.61437 22.7541 6.6144 -6.14652 -19.1356 22.7541 -19.1357 10.6609 GPRESSAVG: 2332400 6.35468 7.0296 23.06 6.76231 -6.1702 -19.0993 20.1747 -18.7635 11.0529 TIMING: 2332400 CPU: 6962.18, 0.00301029/step Wall: 6962.18, 0.00301029/step, 2.23062 hours remaining, 206.675781 MB of memory in use. ENERGY: 2332400 719.9412 2075.4427 1935.0019 108.3809 -206056.0187 17874.9212 0.0000 0.0000 34279.6487 -149062.6821 299.3727 -183342.3308 -148970.8431 299.4446 72.7940 102.7362 558151.0944 3.7372 3.7458 PRESSURE: 2332600 277.949 -65.9405 33.6461 -65.9404 -70.7963 17.1487 33.645 17.1475 -5.26593 GPRESSURE: 2332600 264.893 -73.1453 75.0396 -115.89 11.9294 79.4805 32.3952 39.2013 13.8113 PRESSAVG: 2332600 9.32056 19.2107 24.2419 19.2107 39.7543 44.2739 24.2419 44.2739 8.07618 GPRESSAVG: 2332600 9.96694 20.1038 26.1425 21.1303 39.4651 42.3891 26.362 43.8161 7.85029 TIMING: 2332600 CPU: 6962.77, 0.0029523/step Wall: 6962.77, 0.0029523/step, 2.18749 hours remaining, 206.933594 MB of memory in use. ENERGY: 2332600 743.9555 2051.5198 1955.7115 111.5781 -205962.8511 17914.6194 0.0000 0.0000 34165.3666 -149020.1002 298.3746 -183185.4668 -148925.0174 299.1670 67.2957 96.8779 558511.0963 19.0503 19.0941 PRESSURE: 2332800 115.833 38.6341 161.851 38.6327 -38.1332 11.6665 161.85 11.6665 -124.95 GPRESSURE: 2332800 112.217 69.1229 162.33 -0.75591 -34.4328 -9.42302 205.769 103.764 -24.0213 PRESSAVG: 2332800 9.82344 38.9716 3.43164 38.9715 -1.73984 24.0593 3.43164 24.0592 -9.17122 GPRESSAVG: 2332800 8.47942 37.7416 0.409309 38.4397 -1.11428 25.1899 3.53014 24.7536 -8.48981 TIMING: 2332800 CPU: 6963.36, 0.00294291/step Wall: 6963.36, 0.00294291/step, 2.18037 hours remaining, 206.933594 MB of memory in use. ENERGY: 2332800 751.8918 2176.3464 1949.2572 112.1082 -206235.8319 17803.7102 0.0000 0.0000 34497.4074 -148945.1107 301.2744 -183442.5182 -148848.0976 299.8633 -15.7503 17.9211 558225.4409 -0.3625 -0.3749 PRESSURE: 2333000 -468.867 15.4712 -133.706 15.4711 30.2115 -49.8554 -133.706 -49.8545 127.767 GPRESSURE: 2333000 -406.483 22.7538 -56.5964 3.15794 60.1893 -59.2262 -133.766 14.2084 124.428 PRESSAVG: 2333000 -32.4154 -15.9774 12.8439 -15.9774 9.21094 36.1901 12.844 36.19 -14.0384 GPRESSAVG: 2333000 -31.5879 -17.2015 12.6292 -16.817 8.81416 34.5995 12.0857 36.6474 -14.4015 TIMING: 2333000 CPU: 6963.95, 0.00294963/step Wall: 6963.95, 0.00294963/step, 2.18519 hours remaining, 206.933594 MB of memory in use. ENERGY: 2333000 738.6326 2152.5651 1952.7560 121.6173 -206032.9409 17570.8854 0.0000 0.0000 34373.6029 -149122.8815 300.1932 -183496.4845 -149029.2321 300.3933 -103.6294 -73.9550 558740.1783 -12.4143 -12.3917 PRESSURE: 2333200 -296.417 124.058 -85.916 124.057 5.13873 70.3833 -85.9154 70.3838 -92.2299 GPRESSURE: 2333200 -274.612 168.691 -52.4204 119.348 96.2491 170.858 -20.2489 -2.89742 -105.705 PRESSAVG: 2333200 -77.4548 -7.57667 10.915 -7.57678 30.5256 13.7295 10.9151 13.7296 56.7352 GPRESSAVG: 2333200 -77.8305 -4.89416 12.3229 -9.10452 30.5192 14.5586 10.1646 13.9688 56.7165 TIMING: 2333200 CPU: 6964.54, 0.00293819/step Wall: 6964.54, 0.00293819/step, 2.17655 hours remaining, 206.933594 MB of memory in use. ENERGY: 2333200 782.8548 2173.0897 1958.8766 102.4701 -206438.9365 17844.6805 0.0000 0.0000 34305.5947 -149271.3701 299.5993 -183576.9647 -149170.2955 300.2477 -127.8359 -94.6894 557152.4906 3.2687 3.1351 PRESSURE: 2333400 -182.051 14.5753 72.513 14.5768 63.2549 -20.1345 72.512 -20.1335 88.2481 GPRESSURE: 2333400 -93.1259 30.6484 133.697 11.3274 88.8164 -16.0428 117.414 2.91674 71.5702 PRESSAVG: 2333400 -65.7376 6.68593 -1.75531 6.68595 14.3546 19.1077 -1.75547 19.1076 60.837 GPRESSAVG: 2333400 -63.7131 6.85071 0.082596 7.33098 13.1462 20.6554 -2.13588 16.1397 59.7451 TIMING: 2333400 CPU: 6965.13, 0.0029374/step Wall: 6965.13, 0.0029374/step, 2.1758 hours remaining, 206.933594 MB of memory in use. ENERGY: 2333400 790.1778 2084.8958 1960.1079 123.9545 -206524.4676 17984.2110 0.0000 0.0000 34307.1785 -149273.9421 299.6131 -183581.1207 -149173.6081 299.7876 -10.1826 22.4202 557634.2227 3.1513 3.0594 PRESSURE: 2333600 61.3604 128.473 1.23998 128.473 -110.292 49.0791 1.24067 49.0797 162.365 GPRESSURE: 2333600 113.477 163.695 88.9328 114.617 -50.9966 36.8859 -63.6337 -31.4536 150.662 PRESSAVG: 2333600 -43.2907 33.2417 16.5358 33.2416 6.80254 17.8972 16.5356 17.8973 38.2505 GPRESSAVG: 2333600 -44.653 30.9416 16.4506 34.9132 7.79801 15.2634 17.8967 22.2416 39.036 TIMING: 2333600 CPU: 6965.72, 0.00294808/step Wall: 6965.72, 0.00294808/step, 2.18355 hours remaining, 206.992188 MB of memory in use. ENERGY: 2333600 788.0712 2086.7143 1935.9032 129.1504 -206684.8047 18172.1559 0.0000 0.0000 34364.7353 -149208.0746 300.1158 -183572.8099 -149108.6745 299.0294 37.8112 71.0474 558700.7068 0.5874 0.7270 PRESSURE: 2333800 28.2611 25.5558 -40.3097 25.5563 222.976 -9.55088 -40.3113 -9.5518 -130.71 GPRESSURE: 2333800 60.9529 28.2813 -26.1564 8.77237 245.157 -21.2411 -86.5348 28.4033 -74.543 PRESSAVG: 2333800 -9.53707 25.1516 -47.6656 25.1515 12.8751 -38.8158 -47.6657 -38.8157 7.7967 GPRESSAVG: 2333800 -9.38838 25.9208 -50.3376 24.2166 12.5181 -37.2387 -47.7582 -40.3018 8.00582 TIMING: 2333800 CPU: 6966.31, 0.00294754/step Wall: 6966.3, 0.00294754/step, 2.18298 hours remaining, 206.992188 MB of memory in use. ENERGY: 2333800 770.0876 2129.4186 1929.2458 104.0812 -206019.2257 17764.1949 0.0000 0.0000 34113.2579 -149208.9397 297.9196 -183322.1976 -149113.6554 299.3861 40.1759 77.1888 557520.8456 3.7116 3.7118 PRESSURE: 2334000 -153.006 -46.2676 0.946591 -46.2664 -61.7715 -116.749 0.947856 -116.749 1.49298 GPRESSURE: 2334000 -138.873 -68.7015 -40.5053 -81.6057 -13.5812 -191.678 7.30495 -130.049 43.011 PRESSAVG: 2334000 -41.7885 -7.28374 -38.4353 -7.28373 37.8933 8.84525 -38.4353 8.84522 5.9625 GPRESSAVG: 2334000 -40.8494 -6.02425 -38.7149 -9.06872 37.7306 7.72682 -40.2123 9.95559 5.13218 TIMING: 2334000 CPU: 6966.9, 0.00299467/step Wall: 6966.9, 0.00299467/step, 2.21772 hours remaining, 206.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2334000 748.9377 2088.7055 1962.0865 122.9652 -206162.7835 17769.9453 0.0000 0.0000 34215.0333 -149255.1101 298.8084 -183470.1435 -149162.4556 299.8026 -71.0947 -36.4812 557169.5869 0.6891 0.6711 PRESSURE: 2334200 -104.964 241.969 -18.1299 241.968 -23.1271 50.7234 -18.1308 50.7234 -190.198 GPRESSURE: 2334200 -101.771 180.677 6.14812 213.096 40.475 -19.8919 6.17152 110.476 -165.26 PRESSAVG: 2334200 30.0314 21.4349 33.4604 21.4349 20.2732 -37.0672 33.4604 -37.0671 -4.98433 GPRESSAVG: 2334200 28.9815 20.5091 34.9806 22.4936 20.1383 -35.336 34.7103 -37.4276 -3.98701 TIMING: 2334200 CPU: 6967.5, 0.00295706/step Wall: 6967.5, 0.00295706/step, 2.1897 hours remaining, 206.992188 MB of memory in use. ENERGY: 2334200 751.2826 2115.0617 1956.5620 121.9678 -206421.8601 17705.6312 0.0000 0.0000 34277.4456 -149493.9092 299.3535 -183771.3548 -149388.3168 299.2661 -106.0960 -75.5186 557292.9167 15.1067 15.0443 PRESSURE: 2334400 -25.4357 113.085 93.2313 113.084 -87.5019 62.1982 93.2306 62.1972 -113.488 GPRESSURE: 2334400 -18.7617 63.5166 53.7871 95.8605 -33.681 43.8749 88.8797 83.1372 -86.5551 PRESSAVG: 2334400 27.0177 34.2543 41.8028 34.2543 39.8727 -27.2762 41.8028 -27.2761 -59.1684 GPRESSAVG: 2334400 27.5415 34.1307 39.9035 35.1445 39.8951 -28.2169 43.0252 -27.2355 -59.9608 TIMING: 2334400 CPU: 6968.09, 0.0029589/step Wall: 6968.09, 0.0029589/step, 2.1909 hours remaining, 206.992188 MB of memory in use. ENERGY: 2334400 741.3454 2126.6762 1910.1994 112.5985 -206415.7209 17841.9772 0.0000 0.0000 34118.5097 -149564.4146 297.9654 -183682.9243 -149463.0509 298.4491 -75.4751 -46.3326 557814.1886 2.5740 2.4919 PRESSURE: 2334600 -275.058 30.9834 67.2779 30.9844 -375.352 -40.241 67.2771 -40.2406 -408.202 GPRESSURE: 2334600 -263.157 85.4602 88.6105 -3.89117 -342.559 2.97783 32.106 5.94191 -355.845 PRESSAVG: 2334600 46.4728 1.92344 15.9045 1.92344 -2.17788 8.80124 15.9045 8.80126 -35.654 GPRESSAVG: 2334600 46.0597 1.37548 16.4054 1.26015 -2.09887 10.2586 16.6756 7.21055 -35.5062 TIMING: 2334600 CPU: 6968.68, 0.0029797/step Wall: 6968.68, 0.0029797/step, 2.20613 hours remaining, 206.992188 MB of memory in use. ENERGY: 2334600 773.7959 2144.6315 1906.5411 117.2573 -205852.4045 17363.8306 0.0000 0.0000 33985.5690 -149560.7791 296.8044 -183546.3480 -149464.7927 297.7084 -352.8707 -320.5203 557447.3084 2.8803 2.8182 PRESSURE: 2334800 68.4805 -30.9062 -76.087 -30.9058 -43.9028 -0.0241875 -76.0871 -0.0253217 -99.8703 GPRESSURE: 2334800 102.369 -26.8687 -94.8032 -28.7637 21.6424 -110.406 -150.139 35.9347 -97.532 PRESSAVG: 2334800 88.7968 -21.577 -30.4055 -21.5771 -65.5756 23.4995 -30.4056 23.4994 9.50003 GPRESSAVG: 2334800 89.7341 -19.9848 -29.7017 -22.5909 -64.7959 23.6039 -31.6159 24.7493 8.65404 TIMING: 2334800 CPU: 6969.27, 0.00293908/step Wall: 6969.27, 0.00293908/step, 2.1759 hours remaining, 206.992188 MB of memory in use. ENERGY: 2334800 773.0998 2158.6201 1932.5395 111.8373 -206261.8224 17718.3372 0.0000 0.0000 34061.3499 -149506.0385 297.4662 -183567.3884 -149410.3790 297.8505 -25.0975 8.8264 555485.9163 10.9071 11.1974 PRESSURE: 2335000 97.8173 120.791 -38.1041 120.791 -200.973 -34.382 -38.1032 -34.3815 102.925 GPRESSURE: 2335000 149.747 116.739 -73.2469 49.7686 -203.206 -22.3625 0.834486 -7.54328 149.986 PRESSAVG: 2335000 63.4217 8.0308 -17.6093 8.03076 12.47 -26.2395 -17.6093 -26.2394 -56.9607 GPRESSAVG: 2335000 62.3151 5.0996 -17.788 9.8405 11.4889 -27.1561 -18.3155 -26.8717 -55.1237 TIMING: 2335000 CPU: 6969.86, 0.0029419/step Wall: 6969.86, 0.0029419/step, 2.17783 hours remaining, 206.992188 MB of memory in use. ENERGY: 2335000 803.0497 2139.8252 1960.2195 111.0474 -206897.2991 18052.0239 0.0000 0.0000 34310.8989 -149520.2344 299.6456 -183831.1334 -149427.6188 298.4938 -0.0768 32.1758 555967.8693 6.3104 6.2268 PRESSURE: 2335200 -17.2939 -1.07366 -23.7265 -1.07326 -94.4273 34.893 -23.7284 34.8927 32.8524 GPRESSURE: 2335200 7.30944 25.2104 -25.3025 -53.1205 -79.4196 7.02912 -56.273 -27.4893 81.1941 PRESSAVG: 2335200 -22.7987 27.3178 -16.4835 27.3177 -10.3348 -18.1682 -16.4836 -18.1682 22.6218 GPRESSAVG: 2335200 -21.8733 29.0578 -17.0849 25.9997 -10.4377 -17.8243 -15.5275 -18.768 21.5008 TIMING: 2335200 CPU: 6970.45, 0.00296354/step Wall: 6970.45, 0.00296354/step, 2.19368 hours remaining, 206.992188 MB of memory in use. ENERGY: 2335200 737.6558 2105.6245 1929.7683 118.3124 -206386.7958 17735.4223 0.0000 0.0000 34258.1483 -149501.8642 299.1849 -183760.0125 -149405.3748 298.5091 -26.2896 3.0280 558154.2472 -3.5039 -3.6034 PRESSURE: 2335400 -113.344 -129.45 -99.7702 -129.449 105.175 -88.5424 -99.7695 -88.5422 -34.2289 GPRESSURE: 2335400 -96.802 -120.986 -147.419 -111.156 153.125 -107.611 -126.386 -43.8852 4.6102 PRESSAVG: 2335400 -28.8399 -31.2535 -50.4592 -31.2534 2.07462 24.4136 -50.4591 24.4136 -2.48986 GPRESSAVG: 2335400 -29.7817 -33.2565 -50.7862 -29.9943 2.77584 24.6881 -51.5999 24.1423 -1.71788 TIMING: 2335400 CPU: 6971.04, 0.00294583/step Wall: 6971.04, 0.00294583/step, 2.18041 hours remaining, 206.992188 MB of memory in use. ENERGY: 2335400 772.3099 2068.9622 1916.4692 109.6633 -206576.7340 17931.1306 0.0000 0.0000 34324.1561 -149454.0425 299.7614 -183778.1986 -149358.2662 298.6785 -14.1325 20.3111 557020.1436 -9.7517 -9.5746 PRESSURE: 2335600 387.622 -80.5547 -10.5914 -80.5537 130.871 -83.1518 -10.5901 -83.1523 -21.0257 GPRESSURE: 2335600 415.539 -36.1982 51.506 -54.1421 166.644 -128.756 -88.1449 -47.985 9.57142 PRESSAVG: 2335600 -46.9925 -13.316 -38.2323 -13.3159 -2.19242 15.7296 -38.2324 15.7296 4.23913 GPRESSAVG: 2335600 -46.1429 -12.5727 -37.0726 -13.316 -2.43294 15.5603 -40.1795 15.7617 3.40442 TIMING: 2335600 CPU: 6971.63, 0.00296038/step Wall: 6971.63, 0.00296038/step, 2.19101 hours remaining, 206.992188 MB of memory in use. ENERGY: 2335600 758.1918 2074.0693 1944.5235 117.6148 -206723.1098 18060.3995 0.0000 0.0000 34408.2394 -149360.0715 300.4957 -183768.3110 -149266.8073 299.4168 165.8223 197.2517 556932.9970 -14.9819 -15.0571 PRESSURE: 2335800 48.6158 -165.594 83.4733 -165.593 -71.8127 -184.492 83.4733 -184.491 206.175 GPRESSURE: 2335800 107.979 -165.524 124.143 -146.689 -5.44966 -183.948 40.9073 -168.974 170.087 PRESSAVG: 2335800 -30.8305 -44.3144 -0.203871 -44.3144 31.9511 9.6496 -0.203795 9.64957 21.9215 GPRESSAVG: 2335800 -31.4756 -44.3496 -0.53105 -44.788 31.3838 7.43891 2.03918 12.6198 22.4551 TIMING: 2335800 CPU: 6972.23, 0.00297633/step Wall: 6972.23, 0.00297633/step, 2.20265 hours remaining, 206.992188 MB of memory in use. ENERGY: 2335800 768.2267 2086.8538 1942.0806 110.1119 -206367.6338 17905.0142 0.0000 0.0000 34369.1735 -149186.1731 300.1545 -183555.3466 -149083.1898 299.0803 60.9928 90.8724 556920.2526 7.6807 7.4544 PRESSURE: 2336000 105.922 -71.7182 -37.4027 -71.718 -124.276 -198.527 -37.4024 -198.528 59.0004 GPRESSURE: 2336000 166.194 -83.217 -45.7152 -80.0525 -110.586 -156.618 -91.9074 -329.951 88.8097 PRESSAVG: 2336000 48.4098 32.7346 21.4587 32.7346 16.7745 11.616 21.4587 11.6159 -9.2678 GPRESSAVG: 2336000 48.6137 33.0403 21.5553 32.2033 17.0516 14.1909 19.9996 8.42269 -9.30323 TIMING: 2336000 CPU: 6972.82, 0.00295855/step Wall: 6972.82, 0.00295855/step, 2.18933 hours remaining, 206.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2336000 736.9884 2169.6533 1934.5275 108.5379 -206250.7408 17771.3248 0.0000 0.0000 34194.6278 -149335.0810 298.6302 -183529.7088 -149236.1580 298.9185 13.5488 48.1392 558347.8327 18.6389 18.7874 PRESSURE: 2336200 -202.653 -1.95301 -106.256 -1.95206 -78.3357 189.17 -106.256 189.17 1.37225 GPRESSURE: 2336200 -139.283 -19.0327 -77.2196 104.76 -51.6792 209.91 -149.456 129.123 14.8878 PRESSAVG: 2336200 26.404 -0.367227 -0.119052 -0.367226 -43.618 36.4976 -0.1191 36.4975 38.6538 GPRESSAVG: 2336200 26.1594 -0.218013 -2.52294 -0.458452 -43.2411 34.6259 1.90945 37.6992 38.968 TIMING: 2336200 CPU: 6973.42, 0.00299322/step Wall: 6973.42, 0.00299322/step, 2.21482 hours remaining, 206.992188 MB of memory in use. ENERGY: 2336200 754.4271 2086.7612 1937.7764 126.0158 -206360.6671 17860.3494 0.0000 0.0000 34350.5456 -149244.7917 299.9919 -183595.3373 -149147.9086 298.4229 -93.2055 -58.6915 557695.6740 7.1466 7.2954 LDB: ============= START OF LOAD BALANCING ============== 6976.96 LDB: ============== END OF LOAD BALANCING =============== 6976.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6976.96 LDB: ============= START OF LOAD BALANCING ============== 6977.26 LDB: Largest compute 4773 load 0.030357 is 25.7% of average load 0.118290 LDB: Average compute 0.001719 is 1.5% of average load 0.118290 LDB: TIME 6977.26 LOAD: AVG 0.11829 MAX 0.203002 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.188 MB LDB: TIME 6977.26 LOAD: AVG 0.11829 MAX 0.203002 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.395 MB LDB: TIME 6977.26 LOAD: AVG 0.11829 MAX 0.203002 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.395 MB LDB: ============== END OF LOAD BALANCING =============== 6977.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 6977.27 PRESSURE: 2336400 -59.923 -63.212 99.0458 -63.212 -274.686 39.6844 99.0456 39.6849 -103.334 GPRESSURE: 2336400 -79.3779 35.3578 69.3974 -84.4921 -222.166 -3.3914 128.28 27.5209 -38.1407 PRESSAVG: 2336400 -15.9205 19.369 -0.0715109 19.369 -35.0248 40.8136 -0.0716612 40.8135 36.8906 GPRESSAVG: 2336400 -16.1963 20.145 3.30814 18.9476 -35.6399 40.7361 -2.73037 41.9993 37.6438 TIMING: 2336400 CPU: 6974.02, 0.00298802/step Wall: 6974.02, 0.00298802/step, 2.2108 hours remaining, 207.699219 MB of memory in use. ENERGY: 2336400 750.5527 2146.2055 1938.8951 107.8016 -206048.6591 17598.6597 0.0000 0.0000 34278.9125 -149227.6320 299.3663 -183506.5444 -149124.7512 299.4957 -145.9809 -113.2282 557479.4079 -4.6849 -4.7308 Info: useSync: 0 useProxySync: 0 PRESSURE: 2336600 -236.931 164.022 -19.0513 164.022 -29.719 -18.8296 -19.0509 -18.8293 -341.673 GPRESSURE: 2336600 -227.607 204.014 -27.5748 154.297 -7.14297 -39.1139 -4.24647 27.9233 -293.477 PRESSAVG: 2336600 5.58013 18.7829 -4.13516 18.783 32.0336 22.301 -4.13521 22.301 -16.7113 GPRESSAVG: 2336600 6.72918 17.8337 -7.6866 19.18 31.7484 23.2191 -1.334 19.4493 -17.8701 TIMING: 2336600 CPU: 6974.61, 0.00296245/step Wall: 6974.61, 0.00296245/step, 2.19172 hours remaining, 207.699219 MB of memory in use. ENERGY: 2336600 775.1975 2094.0223 1930.5381 119.0978 -205871.2451 17521.0835 0.0000 0.0000 34204.6015 -149226.7042 298.7173 -183431.3058 -149130.9556 299.2908 -202.7742 -176.0757 558078.6670 6.9675 6.8692 PRESSURE: 2336800 -256.458 -59.1333 -43.245 -59.1351 -33.7856 -77.2034 -43.2445 -77.2032 -115.538 GPRESSURE: 2336800 -219.853 23.8008 80.1891 -11.7664 48.2029 -16.2908 -112.6 -118.381 -144.54 PRESSAVG: 2336800 1.04049 51.4667 -45.9987 51.4667 -83.9789 -27.438 -45.9987 -27.438 78.0441 GPRESSAVG: 2336800 -0.533573 50.81 -45.3032 52.9703 -82.83 -27.4571 -47.5815 -26.8513 78.5732 TIMING: 2336800 CPU: 6975.2, 0.00296821/step Wall: 6975.2, 0.00296821/step, 2.19581 hours remaining, 207.699219 MB of memory in use. ENERGY: 2336800 758.2964 2110.7208 1923.4390 121.6184 -205943.0437 17507.8654 0.0000 0.0000 34192.6127 -149328.4910 298.6126 -183521.1037 -149241.5569 299.9409 -135.2608 -105.3965 558101.7523 -1.6314 -1.5968 PRESSURE: 2337000 -21.7356 -56.3834 46.6287 -56.3822 90.5323 -128.568 46.6283 -128.568 121.127 GPRESSURE: 2337000 -12.0532 -116.529 45.2219 -75.4759 127.056 -152.236 60.576 -145.162 174.198 PRESSAVG: 2337000 9.96482 -13.156 -1.24408 -13.1559 -104.321 -49.6686 -1.24401 -49.6686 72.5373 GPRESSAVG: 2337000 10.4219 -12.7403 0.0419558 -15.0805 -104.635 -50.5372 -0.598263 -48.4481 72.4876 TIMING: 2337000 CPU: 6975.8, 0.0029935/step Wall: 6975.8, 0.0029935/step, 2.21436 hours remaining, 207.699219 MB of memory in use. ENERGY: 2337000 753.5231 2104.9883 1930.2465 110.0111 -206149.4268 17656.4067 0.0000 0.0000 34311.4198 -149282.8312 299.6502 -183594.2511 -149187.3534 299.6387 63.3080 96.4004 554116.5231 -7.2730 -7.2419 PRESSURE: 2337200 -165.004 121.023 -121.298 121.023 129.577 64.8493 -121.299 64.8494 170.209 GPRESSURE: 2337200 -104.517 177.365 -49.1997 57.6736 146.221 -116.57 -168.169 143.717 196.656 PRESSAVG: 2337200 -3.02574 -2.3453 0.0901772 -2.34531 1.04572 -1.41671 0.0901659 -1.41662 35.1134 GPRESSAVG: 2337200 -4.22066 -1.76959 -0.863639 -2.81748 1.28345 -1.09384 -0.406084 -3.11294 36.3578 TIMING: 2337200 CPU: 6976.39, 0.00294874/step Wall: 6976.39, 0.00294874/step, 2.18109 hours remaining, 207.699219 MB of memory in use. ENERGY: 2337200 755.6067 2100.7348 1944.6849 110.9319 -206010.4691 17716.3858 0.0000 0.0000 34306.2551 -149075.8700 299.6051 -183382.1251 -148979.0626 299.9163 44.9273 79.4533 556039.5274 11.0444 11.1402 PRESSURE: 2337400 -59.9123 25.3375 9.99833 25.3383 -240.686 -68.7367 9.99945 -68.7357 -27.1588 GPRESSURE: 2337400 -94.6736 -86.3655 38.8057 182.962 -191.089 -80.4245 60.0243 -40.8826 66.82 PRESSAVG: 2337400 15.582 50.1237 -46.6186 50.1238 -19.8888 13.4941 -46.6185 13.4939 -9.37765 GPRESSAVG: 2337400 16.7861 48.6217 -47.3214 51.2052 -20.0614 12.104 -45.9572 15.9376 -10.7273 TIMING: 2337400 CPU: 6976.98, 0.00296353/step Wall: 6976.98, 0.00296353/step, 2.19186 hours remaining, 207.699219 MB of memory in use. ENERGY: 2337400 730.7160 2201.2577 1923.2537 103.9910 -205781.0761 17565.5490 0.0000 0.0000 34155.5103 -149100.7984 298.2886 -183256.3087 -148998.6882 299.1309 -109.2524 -72.9810 557526.9159 -4.5615 -4.6675 PRESSURE: 2337600 331.564 96.885 -29.1371 96.8845 -31.0643 -202.991 -29.1367 -202.99 134.817 GPRESSURE: 2337600 385.455 49.0819 -16.6923 107.356 2.45639 -152.148 -132.019 -238.177 148.301 PRESSAVG: 2337600 12.5164 -11.8791 -33.9477 -11.879 2.06388 -23.2869 -33.9477 -23.2869 -17.9027 GPRESSAVG: 2337600 12.0604 -10.3644 -35.2005 -13.614 0.538135 -23.0417 -34.7948 -24.4269 -15.7833 TIMING: 2337600 CPU: 6977.57, 0.00294771/step Wall: 6977.57, 0.00294771/step, 2.17999 hours remaining, 207.699219 MB of memory in use. ENERGY: 2337600 709.1303 2107.6542 1926.5859 112.2782 -206351.1828 17871.3095 0.0000 0.0000 34316.2559 -149307.9687 299.6924 -183624.2246 -149216.3952 299.6396 145.1055 178.7375 555584.9964 -1.1075 -1.0616 PRESSURE: 2337800 126.994 134.699 -8.97965 134.698 115.022 -112.711 -8.97972 -112.711 -42.1364 GPRESSURE: 2337800 139.667 225.412 -16.246 149.762 178.504 -117.636 -6.39496 -107.747 -24.4582 PRESSAVG: 2337800 18.0805 48.706 -16.1398 48.7061 -29.8867 -2.92578 -16.1399 -2.92585 36.1453 GPRESSAVG: 2337800 18.7336 45.7118 -16.4032 48.7629 -29.0098 -1.87118 -15.9663 -2.52021 34.892 TIMING: 2337800 CPU: 6978.16, 0.00294388/step Wall: 6978.16, 0.00294388/step, 2.177 hours remaining, 207.699219 MB of memory in use. ENERGY: 2337800 748.9927 2109.8264 1943.0503 127.6753 -206251.0597 17906.4856 0.0000 0.0000 34063.1388 -149351.8905 297.4819 -183415.0293 -149263.2042 298.7443 66.6265 97.9042 557125.4087 8.1130 8.2053 PRESSURE: 2338000 -29.5622 79.1686 -123.6 79.1683 32.4137 -110.497 -123.602 -110.498 -74.9761 GPRESSURE: 2338000 -25.6765 57.0058 -162.044 63.0233 101.147 -79.3881 -86.8943 -231.683 -59.6159 PRESSAVG: 2338000 -35.0258 -12.4163 8.29514 -12.4163 46.2753 12.1274 8.29514 12.1273 -48.1742 GPRESSAVG: 2338000 -34.6651 -9.94562 9.61398 -11.6125 45.6064 10.942 7.91085 11.1741 -48.678 TIMING: 2338000 CPU: 6978.76, 0.00297819/step Wall: 6978.76, 0.00297819/step, 2.20221 hours remaining, 207.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2338000 755.8578 2099.9925 1929.9185 115.9355 -206366.8351 17685.9100 0.0000 0.0000 34447.1654 -149332.0554 300.8357 -183779.2208 -149221.8170 299.7432 -24.0415 5.2850 556355.7950 -12.3082 -12.5789 PRESSURE: 2338200 48.3077 63.3153 -27.1603 63.3138 471.199 -15.8275 -27.1614 -15.8293 129.01 GPRESSURE: 2338200 62.4849 182.155 18.6416 98.2614 477.508 92.6505 -62.3591 5.16522 196.391 PRESSAVG: 2338200 -18.7116 2.66668 -45.7173 2.66663 -22.5388 23.3888 -45.7172 23.3887 12.7372 GPRESSAVG: 2338200 -20.4393 3.31804 -44.5139 2.17313 -22.3848 26.6087 -43.1214 22.635 13.8212 TIMING: 2338200 CPU: 6979.35, 0.00296547/step Wall: 6979.35, 0.00296547/step, 2.19263 hours remaining, 207.699219 MB of memory in use. ENERGY: 2338200 710.9551 2148.0670 1930.4736 112.2118 -206699.5838 18258.7738 0.0000 0.0000 34379.0929 -149160.0095 300.2412 -183539.1024 -149070.1494 299.7999 216.1723 245.4613 555396.6908 -9.5044 -9.6676 PRESSURE: 2338400 -446.238 120.216 -204.798 120.215 -87.0569 7.55818 -204.8 7.5588 -256.455 GPRESSURE: 2338400 -414.801 47.3758 -147.47 81.521 -101.684 28.5308 -108.705 51.113 -171.577 PRESSAVG: 2338400 20.1597 21.2855 5.67971 21.2855 4.37687 -11.7058 5.67966 -11.7058 -44.7561 GPRESSAVG: 2338400 20.4665 19.2711 7.01932 21.8697 3.76101 -14.207 4.68256 -10.8525 -44.4867 TIMING: 2338400 CPU: 6979.94, 0.00295026/step Wall: 6979.94, 0.00295026/step, 2.18123 hours remaining, 207.699219 MB of memory in use. ENERGY: 2338400 738.8141 2083.4433 1935.0399 113.2773 -205654.9215 17230.7501 0.0000 0.0000 34234.7259 -149318.8710 298.9804 -183553.5969 -149216.1051 298.9242 -263.2499 -229.3541 557700.9448 -6.7399 -6.7531 PRESSURE: 2338600 75.8411 32.296 -2.32792 32.2975 186.19 -5.35918 -2.32987 -5.3608 -53.1184 GPRESSURE: 2338600 83.1646 91.3777 -8.56481 -18.9473 232.06 47.1143 -81.837 63.4923 -13.6867 PRESSAVG: 2338600 29.8644 9.10953 -8.91831 9.10955 -3.49227 7.9858 -8.91833 7.98581 -67.4441 GPRESSAVG: 2338600 30.3681 9.43879 -11.2584 9.22848 -2.65237 10.1503 -10.1759 5.01 -68.7469 TIMING: 2338600 CPU: 6980.54, 0.00297917/step Wall: 6980.54, 0.00297917/step, 2.20243 hours remaining, 207.699219 MB of memory in use. ENERGY: 2338600 745.7587 2063.6378 1940.2760 121.5233 -206366.8148 17909.7917 0.0000 0.0000 34349.2041 -149236.6231 299.9801 -183585.8272 -149147.2891 299.1572 69.6376 100.5128 556717.2533 -13.6907 -13.6771 PRESSURE: 2338800 -244.697 -15.6173 -92.6574 -15.6179 -328.288 2.29549 -92.6577 2.29573 -80.5182 GPRESSURE: 2338800 -209.435 -98.6299 -43.6733 -51.319 -268.225 11.3414 -73.1741 23.6701 -76.6845 PRESSAVG: 2338800 34.6904 -56.9702 -5.99317 -56.9702 -45.0897 -25.8856 -5.99315 -25.8856 7.38012 GPRESSAVG: 2338800 34.1013 -56.9996 -6.22439 -55.6202 -45.1928 -24.9372 -3.57859 -24.7422 7.71425 TIMING: 2338800 CPU: 6981.13, 0.00296299/step Wall: 6981.13, 0.00296299/step, 2.19031 hours remaining, 207.699219 MB of memory in use. ENERGY: 2338800 726.2253 2074.3007 1913.5225 122.3908 -206110.6962 17448.9738 0.0000 0.0000 34325.9324 -149499.3508 299.7769 -183825.2832 -149409.5894 298.7853 -217.8344 -184.7815 557763.2592 -1.0064 -1.1258 PRESSURE: 2339000 -229.608 -75.2431 -57.1684 -75.2433 -8.49307 138.888 -57.1694 138.888 117.037 GPRESSURE: 2339000 -148.044 -64.9433 -45.902 -113.783 12.0219 127.916 -55.5409 35.4442 105.882 PRESSAVG: 2339000 -24.6612 -50.4549 -1.57699 -50.455 34.8679 22.9721 -1.57702 22.972 -59.9806 GPRESSAVG: 2339000 -25.3315 -50.8639 1.1234 -51.7553 34.1631 18.5202 -5.75777 26.3849 -59.1044 TIMING: 2339000 CPU: 6981.72, 0.00297546/step Wall: 6981.72, 0.00297546/step, 2.19936 hours remaining, 207.699219 MB of memory in use. ENERGY: 2339000 770.9987 2077.8930 1925.2078 122.7359 -206464.3270 17832.3005 0.0000 0.0000 34418.7780 -149316.4131 300.5877 -183735.1911 -149215.4600 299.3783 -40.3546 -10.0467 557671.2751 -16.5913 -16.7576 PRESSURE: 2339200 64.7917 147.548 -123.67 147.549 63.7055 295.596 -123.671 295.595 -226.821 GPRESSURE: 2339200 43.1242 124.581 -156.772 90.5779 82.0718 306.813 -33.4605 313.465 -134.014 PRESSAVG: 2339200 -66.4891 -0.896987 45.2615 -0.897013 28.0951 29.2332 45.2614 29.2332 11.0392 GPRESSAVG: 2339200 -65.4105 -0.633348 44.0944 -0.651305 28.4898 31.7672 46.6474 27.2354 9.51456 TIMING: 2339200 CPU: 6982.32, 0.00297121/step Wall: 6982.32, 0.00297121/step, 2.19605 hours remaining, 207.699219 MB of memory in use. ENERGY: 2339200 770.8266 2053.3927 1931.0729 123.7547 -206258.9871 17834.8605 0.0000 0.0000 34179.5926 -149365.4871 298.4989 -183545.0797 -149267.0705 299.0646 -32.7747 -2.9393 558299.5205 -9.1183 -9.1354 PRESSURE: 2339400 -193.933 1.35569 30.6095 1.35426 -149.636 96.817 30.6101 96.8182 91.4492 GPRESSURE: 2339400 -118.046 -39.2842 64.37 -10.5656 -136.334 3.69302 -14.059 200.557 88.4396 PRESSAVG: 2339400 -44.5105 -19.8411 33.2327 -19.8411 20.0368 59.4288 33.2327 59.4289 35.402 GPRESSAVG: 2339400 -44.9676 -19.5413 32.7111 -21.0591 20.0254 57.607 33.2059 61.1962 35.7845 TIMING: 2339400 CPU: 6982.91, 0.00296846/step Wall: 6982.91, 0.00296846/step, 2.19386 hours remaining, 207.699219 MB of memory in use. ENERGY: 2339400 745.3479 2065.7659 1937.8682 121.1893 -206486.3299 17812.0472 0.0000 0.0000 34409.2621 -149394.8493 300.5046 -183804.1114 -149289.8841 298.9380 -84.0399 -55.3136 557525.1031 3.6427 3.6141 PRESSURE: 2339600 12.919 -117.094 150.812 -117.095 -32.9578 29.5403 150.812 29.5415 124.317 GPRESSURE: 2339600 69.6264 -51.1371 74.4527 -100.336 -25.3527 1.00468 208.1 79.6483 153.019 PRESSAVG: 2339600 -7.39793 -3.17539 -68.0024 -3.17537 -61.8128 -31.3941 -68.0025 -31.3942 115.558 GPRESSAVG: 2339600 -6.43534 -2.87122 -68.2243 -3.14828 -62.5391 -28.6481 -65.6574 -34.502 115.295 TIMING: 2339600 CPU: 6983.5, 0.00293779/step Wall: 6983.5, 0.00293779/step, 2.17102 hours remaining, 207.699219 MB of memory in use. ENERGY: 2339600 743.1095 2066.7909 1923.5475 120.0898 -206193.3066 17873.7002 0.0000 0.0000 34257.1474 -149208.9213 299.1762 -183466.0687 -149111.6888 299.7717 34.7596 65.7644 556940.5430 15.4492 15.4403 PRESSURE: 2339800 -219.746 111.026 -215.816 111.027 -52.2092 -49.105 -215.816 -49.1038 -77.7038 GPRESSURE: 2339800 -216.184 140.822 -242.709 44.9523 -20.2909 -67.8288 -117.14 -87.2701 -17.2918 PRESSAVG: 2339800 37.1123 1.00356 1.7641 1.00361 -38.2168 16.8494 1.76411 16.8495 -41.8025 GPRESSAVG: 2339800 35.7051 1.06258 1.71987 0.653236 -37.1266 17.0147 0.884823 17.0545 -41.6277 TIMING: 2339800 CPU: 6984.09, 0.00294125/step Wall: 6984.09, 0.00294125/step, 2.17342 hours remaining, 207.699219 MB of memory in use. ENERGY: 2339800 735.3842 2111.8963 1940.1017 114.6237 -205470.5851 17364.0303 0.0000 0.0000 34147.5025 -149057.0465 298.2186 -183204.5489 -148969.8522 299.5781 -116.5531 -84.5890 557386.0287 -14.3023 -14.3497 PRESSURE: 2340000 -12.8053 70.9085 -4.04099 70.909 56.8937 47.4602 -4.0413 47.4614 -185.055 GPRESSURE: 2340000 -18.3502 116.497 -42.7494 80.7574 56.9272 -22.5799 -2.50271 62.4573 -104.075 PRESSAVG: 2340000 -15.9078 34.5362 -57.6728 34.5363 44.4945 -16.9285 -57.6729 -16.9285 -29.9234 GPRESSAVG: 2340000 -16.3129 34.9053 -56.9652 35.1091 44.444 -18.7234 -56.9778 -14.2694 -28.7619 TIMING: 2340000 CPU: 6984.68, 0.00293688/step Wall: 6984.68, 0.00293688/step, 2.17002 hours remaining, 207.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2340000 742.1245 2057.8460 1942.0925 115.8833 -206209.8602 17812.4251 0.0000 0.0000 34324.8575 -149214.6312 299.7675 -183539.4888 -149116.4450 299.5936 -46.9890 -21.8327 558315.8255 -0.4456 -0.2103 PRESSURE: 2340200 61.464 -62.8289 -4.03461 -62.8295 235.046 8.51206 -4.0361 8.51196 -219.98 GPRESSURE: 2340200 108.676 -9.33199 71.1346 -81.144 235.29 -8.94016 -50.2608 40.5822 -171.45 PRESSAVG: 2340200 44.269 0.17348 1.39925 0.173461 -3.44645 0.882662 1.39928 0.882621 -40.4677 GPRESSAVG: 2340200 45.4689 -1.14912 -0.27843 0.836273 -3.59267 1.94703 0.707068 -1.02576 -41.0195 TIMING: 2340200 CPU: 6985.26, 0.00294087/step Wall: 6985.26, 0.00294087/step, 2.17281 hours remaining, 207.699219 MB of memory in use. ENERGY: 2340200 733.5376 2074.8664 1958.3256 116.9723 -205928.8524 17830.0403 0.0000 0.0000 34359.5150 -148855.5952 300.0702 -183215.1102 -148758.7239 300.2753 25.5100 57.5051 558506.6756 0.1183 0.2856 LDB: ============= START OF LOAD BALANCING ============== 6988.81 LDB: ============== END OF LOAD BALANCING =============== 6988.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6988.81 LDB: ============= START OF LOAD BALANCING ============== 6989.11 LDB: Largest compute 4773 load 0.028852 is 24.4% of average load 0.118145 LDB: Average compute 0.001717 is 1.5% of average load 0.118145 LDB: TIME 6989.11 LOAD: AVG 0.118145 MAX 0.202977 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 6989.11 LOAD: AVG 0.118145 MAX 0.202977 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.852 MB LDB: TIME 6989.11 LOAD: AVG 0.118145 MAX 0.202977 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.852 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6989.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6989.12 PRESSURE: 2340400 -236.421 -61.2368 -76.8694 -61.2368 215.814 45.038 -76.8686 45.0376 -138.829 GPRESSURE: 2340400 -255.383 -102.142 -40.8513 -72.2341 261.162 65.8132 -84.1124 141.137 -78.6149 PRESSAVG: 2340400 -65.1856 -37.3724 -24.2301 -37.3725 54.1616 56.2161 -24.2301 56.216 -4.39247 GPRESSAVG: 2340400 -65.2706 -36.2555 -25.2358 -38.1892 54.0966 55.5489 -24.2273 56.9461 -4.07113 TIMING: 2340400 CPU: 6985.87, 0.0030198/step Wall: 6985.87, 0.0030198/step, 2.23096 hours remaining, 206.714844 MB of memory in use. ENERGY: 2340400 705.9599 2133.4701 1933.6424 116.5260 -205908.2443 17664.2967 0.0000 0.0000 34493.5296 -148860.8196 301.2406 -183354.3492 -148756.6490 300.2208 -53.1453 -24.2784 558161.3109 -5.1388 -5.0817 PRESSURE: 2340600 -150.98 64.0584 -32.4242 64.0583 107.053 -61.0589 -32.4258 -61.0594 227.093 GPRESSURE: 2340600 -123.058 98.629 -62.9748 26.9047 103.891 -110.744 -18.9912 -2.36169 278.734 PRESSAVG: 2340600 -59.9345 11.4897 -15.6317 11.4898 54.4005 4.66038 -15.6317 4.66045 54.0086 GPRESSAVG: 2340600 -59.701 9.9933 -14.1 13.5467 53.8566 3.79246 -15.8437 4.97135 54.0882 TIMING: 2340600 CPU: 6986.46, 0.00294169/step Wall: 6986.46, 0.00294169/step, 2.17309 hours remaining, 206.714844 MB of memory in use. ENERGY: 2340600 749.0665 2070.3499 1938.1294 110.8567 -206122.2086 17982.0413 0.0000 0.0000 34306.1729 -148965.5918 299.6043 -183271.7648 -148876.5639 299.9798 61.0553 86.5223 558508.4506 16.1582 16.0813 PRESSURE: 2340800 15.3927 154.498 161.367 154.498 -73.9194 70.0105 161.367 70.0108 140.828 GPRESSURE: 2340800 42.3553 148.651 81.52 205.624 -7.76604 58.6562 122.96 -0.686979 129.542 PRESSAVG: 2340800 -26.352 32.224 -28.181 32.2239 48.3104 -40.3054 -28.181 -40.3054 -22.5805 GPRESSAVG: 2340800 -27.3424 32.9324 -29.8215 31.053 49.5549 -39.9981 -29.3768 -41.2514 -22.2954 TIMING: 2340800 CPU: 6987.04, 0.00292873/step Wall: 6987.04, 0.00292873/step, 2.16335 hours remaining, 206.714844 MB of memory in use. ENERGY: 2340800 744.8767 2150.8045 1910.7411 108.8917 -205833.3805 17695.5360 0.0000 0.0000 34382.1222 -148840.4082 300.2676 -183222.5304 -148741.0009 300.2411 27.4337 54.7104 557779.0500 -0.2073 -0.0276 PRESSURE: 2341000 217.815 -2.5712 206.641 -2.57054 186.107 -118.587 206.641 -118.586 265.918 GPRESSURE: 2341000 284.137 -5.06131 204.088 -40.7314 217.059 -50.8009 132.83 -104.774 265.856 PRESSAVG: 2341000 30.4862 21.877 -8.8834 21.877 -21.1564 4.88271 -8.88339 4.88274 -30.9112 GPRESSAVG: 2341000 32.5857 24.9561 -7.44347 21.7996 -21.8811 7.06867 -9.47493 4.62317 -31.6107 TIMING: 2341000 CPU: 6987.63, 0.00293893/step Wall: 6987.63, 0.00293893/step, 2.17073 hours remaining, 206.714844 MB of memory in use. ENERGY: 2341000 772.4335 2135.5956 1941.8373 114.5047 -206490.1375 18026.0515 0.0000 0.0000 34589.5769 -148910.1380 302.0794 -183499.7150 -148815.0428 300.4454 223.2798 255.6840 555502.5270 -7.1938 -6.9687 PRESSURE: 2341200 -284.991 -30.0033 -300.261 -30.0037 -315.939 17.9268 -300.261 17.9274 -228.844 GPRESSURE: 2341200 -220.206 -31.9748 -326.788 -94.8194 -290.289 51.3283 -246.111 23.3556 -233.237 PRESSAVG: 2341200 0.434335 -31.4828 0.0506667 -31.4829 22.3645 27.5605 0.050728 27.5605 -1.29071 GPRESSAVG: 2341200 0.164039 -34.6234 -0.662269 -32.0097 23.1801 24.9528 1.9313 29.2316 -1.44633 TIMING: 2341200 CPU: 6988.22, 0.00294329/step Wall: 6988.22, 0.00294329/step, 2.17378 hours remaining, 206.714844 MB of memory in use. ENERGY: 2341200 764.4833 2179.0722 1967.7553 109.4090 -205707.5283 17494.2875 0.0000 0.0000 34243.9293 -148948.5917 299.0608 -183192.5210 -148854.1298 300.7583 -276.5914 -247.9107 558994.7309 7.1694 7.2993 PRESSURE: 2341400 -230.48 -42.4215 -56.272 -42.4213 -83.3328 -63.5542 -56.2724 -63.5535 -34.0932 GPRESSURE: 2341400 -195.432 -10.7822 -2.96933 -114.234 -71.6645 -24.4662 -70.964 -40.6426 10.2803 PRESSAVG: 2341400 -55.1273 -14.97 -17.4463 -14.9702 21.6078 30.0227 -17.4464 30.0228 62.1257 GPRESSAVG: 2341400 -54.477 -13.3196 -17.4313 -16.0841 19.6313 31.4746 -19.3841 29.1947 62.4648 TIMING: 2341400 CPU: 6988.81, 0.002939/step Wall: 6988.81, 0.002939/step, 2.17045 hours remaining, 206.714844 MB of memory in use. ENERGY: 2341400 732.1572 2163.7348 1953.2694 107.2530 -205914.2675 17496.4896 0.0000 0.0000 34473.7668 -148987.5967 301.0680 -183461.3635 -148888.3366 300.8427 -115.9685 -85.6052 557323.7092 9.5354 9.2064 PRESSURE: 2341600 147.16 92.1656 10.577 92.1651 -276.386 95.8839 10.5775 95.8855 -219.313 GPRESSURE: 2341600 161.647 40.2686 21.4618 41.7299 -231.312 69.8348 3.20472 17.589 -169.581 PRESSAVG: 2341600 1.38258 -18.2272 -0.110091 -18.2273 -40.8922 0.810467 -0.110138 0.810478 15.5349 GPRESSAVG: 2341600 0.663305 -21.604 -1.19673 -16.3308 -39.8931 0.681389 0.659285 2.65731 15.7261 TIMING: 2341600 CPU: 6989.4, 0.0029514/step Wall: 6989.4, 0.0029514/step, 2.17944 hours remaining, 206.714844 MB of memory in use. ENERGY: 2341600 769.3470 2101.9000 1954.3700 117.7080 -206053.1728 17595.7950 0.0000 0.0000 34344.7218 -149169.3311 299.9410 -183514.0530 -149070.0584 299.9879 -116.1797 -79.7486 556405.1957 -7.9916 -7.8346 PRESSURE: 2341800 -40.839 19.5393 68.8805 19.539 -127.748 117.516 68.8821 117.516 -50.6511 GPRESSURE: 2341800 6.44808 -17.7895 -5.65063 83.2167 -85.8124 135.836 102.445 87.1683 -32.1777 PRESSAVG: 2341800 -13.6626 28.7299 56.0771 28.7299 38.5633 26.2592 56.0772 26.2592 7.43306 GPRESSAVG: 2341800 -13.2997 31.8032 57.4101 27.2595 38.7634 27.282 53.9929 23.7885 7.33325 TIMING: 2341800 CPU: 6989.99, 0.00295341/step Wall: 6989.99, 0.00295341/step, 2.18076 hours remaining, 206.714844 MB of memory in use. ENERGY: 2341800 740.2264 2111.1029 1915.1869 124.7213 -205689.8261 17472.9843 0.0000 0.0000 34281.9045 -149043.6998 299.3924 -183325.6043 -148941.7510 300.0568 -73.0792 -37.1807 556856.6377 10.7779 10.9323 PRESSURE: 2342000 -141.911 -3.50459 37.1981 -3.50497 -153.948 4.15512 37.1971 4.1562 -223.284 GPRESSURE: 2342000 -137.111 -41.105 37.994 7.007 -115.775 -42.1051 21.5434 34.7075 -161.816 PRESSAVG: 2342000 -19.34 -13.356 41.0611 -13.3559 -6.57283 8.13279 41.0611 8.13282 56.9514 GPRESSAVG: 2342000 -19.0307 -14.1184 39.6013 -12.3618 -7.58626 5.88493 43.3352 9.65726 57.4855 TIMING: 2342000 CPU: 6990.58, 0.00296707/step Wall: 6990.58, 0.00296707/step, 2.19069 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2342000 770.1478 2135.6031 1952.6174 118.2912 -205782.8475 17515.8283 0.0000 0.0000 34299.4957 -148990.8639 299.5460 -183290.3596 -148893.1416 300.4323 -173.0478 -138.2337 557882.9677 10.3462 10.2895 PRESSURE: 2342200 -9.39741 82.0922 209.453 82.0917 32.5273 104.717 209.454 104.715 -35.2859 GPRESSURE: 2342200 14.5202 44.9828 258.488 -9.59241 21.7293 173.397 195.203 4.65222 61.7196 PRESSAVG: 2342200 28.0999 3.34266 0.78763 3.3427 -28.4212 -0.559364 0.78758 -0.559437 43.4957 GPRESSAVG: 2342200 28.5697 3.39533 2.83693 1.10071 -27.8209 0.175742 -1.17972 -1.66034 42.6397 TIMING: 2342200 CPU: 6991.17, 0.00296439/step Wall: 6991.17, 0.00296439/step, 2.18854 hours remaining, 206.714844 MB of memory in use. ENERGY: 2342200 776.1756 2123.9011 1927.5275 112.6530 -206150.9018 17798.1300 0.0000 0.0000 34324.6736 -149087.8410 299.7659 -183412.5145 -148983.5949 300.6576 -4.0520 32.6564 557191.4588 14.3915 14.4628 PRESSURE: 2342400 260.105 21.9417 55.1693 21.9424 139.163 -9.44104 55.1694 -9.44051 155.174 GPRESSURE: 2342400 259.071 59.3322 -6.15346 -43.1627 219.51 51.8601 63.8865 -50.9931 173.519 PRESSAVG: 2342400 39.2305 -24.2083 -5.54228 -24.2083 -4.21238 -23.9791 -5.54213 -23.9791 31.0361 GPRESSAVG: 2342400 38.6452 -25.1336 -7.71659 -22.8666 -4.74521 -23.2911 -4.02435 -22.7869 31.7045 TIMING: 2342400 CPU: 6991.76, 0.00295111/step Wall: 6991.76, 0.00295111/step, 2.17857 hours remaining, 206.714844 MB of memory in use. ENERGY: 2342400 759.6000 2057.8613 1974.6407 115.2617 -206393.4621 18190.9229 0.0000 0.0000 34221.0666 -149074.1088 298.8611 -183295.1754 -148972.6634 299.7527 184.8140 217.3665 557532.1320 22.0181 21.8682 PRESSURE: 2342600 -340.974 158.377 -69.5747 158.378 322.895 -31.3839 -69.575 -31.3825 142.298 GPRESSURE: 2342600 -242.492 171.467 -62.5074 90.3736 341.772 -22.7598 -49.986 -51.3692 118.9 PRESSAVG: 2342600 2.20181 5.21519 -59.4215 5.21521 -17.8786 -19.3419 -59.4215 -19.3418 19.7765 GPRESSAVG: 2342600 2.23422 6.50589 -58.8127 5.76516 -16.8315 -18.7933 -59.4897 -20.9527 19.4058 TIMING: 2342600 CPU: 6992.35, 0.00293838/step Wall: 6992.35, 0.00293838/step, 2.16902 hours remaining, 206.714844 MB of memory in use. ENERGY: 2342600 731.3589 2020.2835 1953.3323 98.0001 -205996.3230 17953.5289 0.0000 0.0000 34307.3234 -148932.4959 299.6144 -183239.8193 -148835.6726 299.2627 41.4061 72.7267 558290.0180 1.3666 1.6028 PRESSURE: 2342800 96.7499 -19.235 130.65 -19.2346 -77.7278 -61.717 130.649 -61.7162 -31.9395 GPRESSURE: 2342800 88.6972 -12.5509 100.17 -23.3163 -31.5267 -97.1281 152.276 -81.3757 34.7512 PRESSAVG: 2342800 39.692 58.5584 11.3506 58.5584 -37.113 0.382229 11.3506 0.38209 -39.6071 GPRESSAVG: 2342800 39.2635 57.4364 11.7288 58.7641 -36.6851 -0.915102 11.229 2.00554 -39.3106 TIMING: 2342800 CPU: 6992.94, 0.00296038/step Wall: 6992.94, 0.00296038/step, 2.18509 hours remaining, 206.714844 MB of memory in use. ENERGY: 2342800 725.6321 2099.7330 1967.3624 119.8015 -206174.2422 17884.8816 0.0000 0.0000 34214.6326 -149162.1989 298.8049 -183376.8315 -149061.9049 299.4030 -4.3058 30.6406 559110.7902 -12.3427 -12.2441 PRESSURE: 2343000 -271.727 -39.7269 -15.898 -39.7265 -369.348 -27.7649 -15.898 -27.7644 -182.62 GPRESSURE: 2343000 -215.245 -39.285 10.1381 -133.543 -310.911 -91.7339 -67.8959 0.996392 -179.588 PRESSAVG: 2343000 6.81 -16.2395 11.5885 -16.2396 43.8905 61.3183 11.5885 61.3182 -15.3437 GPRESSAVG: 2343000 6.57619 -17.4933 11.7074 -15.7797 43.9101 61.6945 8.96861 63.114 -15.8057 TIMING: 2343000 CPU: 6993.54, 0.00296076/step Wall: 6993.54, 0.00296076/step, 2.18521 hours remaining, 206.714844 MB of memory in use. ENERGY: 2343000 808.2001 2071.6346 1959.3029 123.4081 -205623.2500 17442.8557 0.0000 0.0000 34167.4045 -149050.4441 298.3924 -183217.8486 -148957.4604 299.1011 -274.5653 -235.2479 559451.3172 11.7856 11.5602 PRESSURE: 2343200 -9.41486 72.3046 -93.6161 72.3057 -188.598 7.64594 -93.6172 7.64598 -107.901 GPRESSURE: 2343200 34.2217 84.4129 -3.74163 110.805 -164.124 -59.1165 -120.69 46.8351 -80.863 PRESSAVG: 2343200 31.0605 25.4738 16.9735 25.4737 -40.3996 -0.824502 16.9735 -0.824606 5.73501 GPRESSAVG: 2343200 31.5314 27.6966 14.8781 25.0411 -41.9247 1.89072 20.2743 -4.58662 6.68019 TIMING: 2343200 CPU: 6994.13, 0.00296054/step Wall: 6994.13, 0.00296054/step, 2.18488 hours remaining, 206.714844 MB of memory in use. ENERGY: 2343200 744.4576 2102.6694 1912.7900 107.6508 -206230.6383 17763.0916 0.0000 0.0000 34480.1996 -149119.7794 301.1242 -183599.9790 -149021.6944 300.0052 -101.9711 -70.2552 557984.4098 -1.2013 -1.2377 PRESSURE: 2343400 35.9175 -19.4542 41.0563 -19.4532 -111.167 5.88009 41.0569 5.87899 -70.7993 GPRESSURE: 2343400 94.3944 -42.7384 11.3334 20.5394 -156.197 87.8318 46.5901 -26.7021 8.11943 PRESSAVG: 2343400 25.6064 0.0131913 -4.96076 0.0132371 9.08205 -25.2875 -4.96077 -25.2876 -41.6201 GPRESSAVG: 2343400 26.3629 -3.27362 -3.67687 2.04261 8.99765 -26.165 -4.92778 -23.0395 -41.8523 TIMING: 2343400 CPU: 6994.71, 0.00293706/step Wall: 6994.71, 0.00293706/step, 2.16738 hours remaining, 206.714844 MB of memory in use. ENERGY: 2343400 775.9076 2105.8112 1918.5625 102.3887 -205963.5898 17586.4286 0.0000 0.0000 34259.7252 -149214.7660 299.1987 -183474.4912 -149110.2765 299.4082 -48.6830 -17.8943 556869.2705 -2.3105 -2.1639 PRESSURE: 2343600 9.14656 33.7236 13.7289 33.7254 -178.702 -126.828 13.7293 -126.828 61.592 GPRESSURE: 2343600 -23.7587 56.6093 81.0293 52.6513 -65.0623 -122.73 -26.1947 -138.657 74.3645 PRESSAVG: 2343600 -36.8271 -40.4459 23.2245 -40.4459 -31.2283 50.5398 23.2246 50.5397 37.004 GPRESSAVG: 2343600 -36.2296 -40.2329 24.5849 -40.9977 -30.7187 47.4296 21.2164 50.4815 35.6815 TIMING: 2343600 CPU: 6995.3, 0.00294155/step Wall: 6995.3, 0.00294155/step, 2.17054 hours remaining, 206.714844 MB of memory in use. ENERGY: 2343600 737.1569 2077.0278 1943.3117 104.7558 -205721.2202 17702.3796 0.0000 0.0000 34010.5775 -149146.0109 297.0228 -183156.5883 -149047.2562 299.1380 -35.9879 -4.8188 558762.0494 -10.3505 -10.4223 PRESSURE: 2343800 -143.196 -20.8031 70.4926 -20.8036 -290.49 118.026 70.4919 118.027 -146.744 GPRESSURE: 2343800 -131.38 47.6065 45.2466 9.65925 -237.376 121.864 8.0492 74.0731 -105.138 PRESSAVG: 2343800 53.4762 0.285816 -34.9072 0.285838 -40.8418 51.8669 -34.9072 51.8671 -0.220866 GPRESSAVG: 2343800 51.7391 2.62859 -34.5564 -0.844066 -39.5988 53.0921 -35.3111 51.267 0.344426 TIMING: 2343800 CPU: 6995.89, 0.00293876/step Wall: 6995.89, 0.00293876/step, 2.16832 hours remaining, 206.714844 MB of memory in use. ENERGY: 2343800 752.6952 2127.7053 1935.4655 118.6995 -205506.1360 17340.4353 0.0000 0.0000 34133.9257 -149097.2095 298.1001 -183231.1352 -149003.0631 298.8600 -193.4769 -157.9646 558293.5047 4.1378 4.1616 PRESSURE: 2344000 -162.394 -20.9468 -29.7726 -20.9477 -57.953 -34.5051 -29.7732 -34.5049 -83.8261 GPRESSURE: 2344000 -106.98 -22.8369 -37.6031 33.9035 -55.7383 -79.1339 -35.244 -19.6651 -49.9713 PRESSAVG: 2344000 35.584 -11.4641 -13.5396 -11.4642 11.1302 -38.3888 -13.5395 -38.3888 -82.9823 GPRESSAVG: 2344000 36.7293 -11.1052 -14.4868 -13.4143 9.98716 -37.3963 -12.3664 -39.7182 -82.9097 TIMING: 2344000 CPU: 6996.48, 0.0029537/step Wall: 6996.48, 0.0029537/step, 2.17918 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2344000 715.3716 2082.1737 1937.0905 120.4296 -205756.6479 17548.4050 0.0000 0.0000 34337.9848 -149015.1927 299.8822 -183353.1774 -148916.1692 300.0364 -101.3909 -70.8966 558365.6683 -12.0894 -12.0644 PRESSURE: 2344200 352.734 -111.353 80.1545 -111.352 149.989 66.459 80.1544 66.4593 -99.9825 GPRESSURE: 2344200 359.26 -55.3101 49.1269 -62.8251 220.312 96.3389 40.4488 -6.81 -71.39 PRESSAVG: 2344200 -2.123 65.8037 -18.4194 65.8037 49.8159 9.23566 -18.4195 9.23572 39.7294 GPRESSAVG: 2344200 -2.33056 64.4635 -17.5125 65.6136 49.7345 8.61206 -18.4658 10.059 39.588 TIMING: 2344200 CPU: 6997.07, 0.00296033/step Wall: 6997.07, 0.00296033/step, 2.1839 hours remaining, 206.714844 MB of memory in use. ENERGY: 2344200 768.1737 2024.2118 1983.6476 118.8506 -206759.3957 18207.8549 0.0000 0.0000 34447.1429 -149209.5141 300.8355 -183656.6570 -149111.2330 300.1085 134.2469 169.3942 557377.3400 29.1408 28.9973 LDB: ============= START OF LOAD BALANCING ============== 7000.62 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7000.62 LDB: =============== DONE WITH MIGRATION ================ 7000.62 LDB: ============= START OF LOAD BALANCING ============== 7000.92 LDB: Largest compute 4773 load 0.028632 is 24.2% of average load 0.118289 LDB: Average compute 0.001723 is 1.5% of average load 0.118289 LDB: TIME 7000.92 LOAD: AVG 0.118289 MAX 0.202197 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 7000.92 LOAD: AVG 0.118289 MAX 0.202197 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 7000.92 LOAD: AVG 0.118289 MAX 0.202197 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7000.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7000.93 PRESSURE: 2344400 -404.601 66.0669 94.0454 66.0651 -199.813 -75.6962 94.0473 -75.6975 -228.188 GPRESSURE: 2344400 -402.36 30.9655 69.7432 -23.8555 -113.893 -51.4045 104.28 -20.1932 -226.256 PRESSAVG: 2344400 -14.4928 13.2048 41.108 13.2048 20.4874 38.8256 41.108 38.8257 2.63378 GPRESSAVG: 2344400 -15.6295 14.9422 39.7287 15.7588 22.3323 40.0133 41.286 37.4948 2.32681 TIMING: 2344400 CPU: 6997.68, 0.00300919/step Wall: 6997.68, 0.00300919/step, 2.21978 hours remaining, 207.484375 MB of memory in use. ENERGY: 2344400 780.2818 2109.8314 1971.7706 120.2287 -205790.4124 17498.0692 0.0000 0.0000 34010.1631 -149300.0676 297.0192 -183310.2307 -149202.2171 299.5730 -277.5341 -247.5029 558615.7649 2.8761 3.0099 PRESSURE: 2344600 -77.5966 127.829 192.845 127.829 80.4592 -33.9274 192.845 -33.9261 -134.568 GPRESSURE: 2344600 -48.8149 131.263 133.387 20.6528 121.146 -46.1311 284.087 -59.8986 -118.195 PRESSAVG: 2344600 5.86066 50.5576 63.8755 50.5577 37.5239 -13.6485 63.8756 -13.6485 -36.6438 GPRESSAVG: 2344600 6.33876 47.5819 64.8462 50.3327 37.3604 -15.3765 63.2438 -12.0162 -37.3463 TIMING: 2344600 CPU: 6998.27, 0.00295601/step Wall: 6998.27, 0.00295602/step, 2.18039 hours remaining, 207.687500 MB of memory in use. ENERGY: 2344600 789.9099 2086.7216 1942.8162 126.3845 -206232.5958 17774.4672 0.0000 0.0000 34133.2312 -149379.0651 298.0940 -183512.2963 -149283.5976 299.3081 -43.9018 -15.2877 558348.9059 2.2469 2.1176 PRESSURE: 2344800 -229.52 56.8394 -47.8399 56.8396 -29.7029 74.9081 -47.839 74.9068 -43.2372 GPRESSURE: 2344800 -200.19 121.84 -49.454 89.0859 27.2355 117.776 -15.2346 18.2511 -31.2013 PRESSAVG: 2344800 98.5882 -11.369 26.7312 -11.369 -65.7907 29.649 26.7313 29.6489 -35.702 GPRESSAVG: 2344800 98.1679 -11.6876 25.9401 -10.9397 -66.7422 27.9613 26.7454 29.6437 -34.3363 TIMING: 2344800 CPU: 6998.86, 0.00294218/step Wall: 6998.86, 0.00294218/step, 2.17002 hours remaining, 207.687500 MB of memory in use. ENERGY: 2344800 750.0410 2050.6898 1955.8818 119.1127 -205905.6337 17700.9457 0.0000 0.0000 34059.1332 -149269.8295 297.4469 -183328.9626 -149178.5581 299.0543 -100.8201 -68.0519 558478.3850 -0.9682 -0.9702 PRESSURE: 2345000 -75.6948 137.96 -16.8073 137.959 -348.495 50.1683 -16.8082 50.168 59.4781 GPRESSURE: 2345000 -45.7623 102.998 -26.3095 168.046 -278.967 -34.2123 -40.9097 57.8976 61.5714 PRESSAVG: 2345000 -8.92846 24.1733 28.0621 24.1733 28.7499 59.8088 28.062 59.8086 59.2321 GPRESSAVG: 2345000 -8.82158 25.8232 28.6393 24.1769 28.6507 61.8948 27.2911 61.5375 59.1839 TIMING: 2345000 CPU: 6999.45, 0.00296861/step Wall: 6999.45, 0.00296861/step, 2.18935 hours remaining, 207.687500 MB of memory in use. ENERGY: 2345000 735.1839 2108.2642 1926.2622 114.8681 -205783.5055 17472.4577 0.0000 0.0000 34230.5251 -149195.9443 298.9437 -183426.4694 -149095.6697 299.4014 -121.5705 -87.7194 556455.8243 26.3512 26.3377 PRESSURE: 2345200 280.5 92.7732 78.1234 92.7741 -117.118 83.4107 78.1225 83.4109 84.9068 GPRESSURE: 2345200 259.349 186.605 66.1912 60.0641 -85.9618 143.294 119.804 43.4271 165.222 PRESSAVG: 2345200 -45.0525 26.5175 18.9863 26.5176 18.0978 -29.8374 18.9862 -29.8374 48.7698 GPRESSAVG: 2345200 -44.2778 25.22 17.5833 28.4241 16.6303 -27.5351 19.3516 -32.3859 49.7736 TIMING: 2345200 CPU: 7000.04, 0.00297554/step Wall: 7000.04, 0.00297554/step, 2.19429 hours remaining, 207.687500 MB of memory in use. ENERGY: 2345200 751.8140 2031.9096 1944.1253 124.9921 -206271.1801 17857.5636 0.0000 0.0000 34416.9914 -149143.7840 300.5721 -183560.7755 -149043.1077 299.6545 82.7629 112.8697 556536.7148 7.2717 7.3754 PRESSURE: 2345400 -167.067 -19.2688 60.4173 -19.2684 9.05809 181.85 60.4183 181.851 65.052 GPRESSURE: 2345400 -122.244 98.7621 11.7232 -67.6479 23.8145 187.246 74.6602 155.339 93.2775 PRESSAVG: 2345400 -82.3192 59.0521 5.68023 59.0521 -7.37099 -4.44932 5.68033 -4.44933 34.5011 GPRESSAVG: 2345400 -83.025 60.942 6.66774 56.4543 -6.16775 -5.46749 6.08053 -4.92496 34.3038 TIMING: 2345400 CPU: 7000.64, 0.00299089/step Wall: 7000.64, 0.00299089/step, 2.20545 hours remaining, 207.687500 MB of memory in use. ENERGY: 2345400 714.5572 2093.2381 1914.8948 117.8207 -205995.5120 17673.6964 0.0000 0.0000 34418.8875 -149062.4174 300.5887 -183481.3048 -148967.2018 300.7650 -30.9858 -1.7173 556491.5315 -18.3963 -18.2963 PRESSURE: 2345600 -333.969 141.669 18.9686 141.669 -165.357 -28.2446 18.9692 -28.2448 194.903 GPRESSURE: 2345600 -343.942 143.82 27.4426 90.441 -87.5035 -0.538583 -89.4162 -34.8218 210.591 PRESSAVG: 2345600 -62.3067 28.9142 26.1874 28.9142 52.1496 18.1505 26.1873 18.1505 43.2513 GPRESSAVG: 2345600 -62.1576 28.6147 26.8396 27.7746 51.7147 16.8682 23.8883 20.4928 43.1634 TIMING: 2345600 CPU: 7001.24, 0.00301176/step Wall: 7001.24, 0.00301176/step, 2.22067 hours remaining, 207.687500 MB of memory in use. ENERGY: 2345600 734.6523 2145.8316 1959.8788 125.6661 -206028.5517 17517.3230 0.0000 0.0000 34489.6247 -149055.5752 301.2065 -183545.1999 -148955.2993 299.9289 -101.4745 -73.6184 556146.0108 11.0314 10.9068 PRESSURE: 2345800 21.2783 135.44 -57.3628 135.44 -167.531 -33.3692 -57.3617 -33.3705 -138.425 GPRESSURE: 2345800 44.8397 68.4093 99.0797 122.381 -136.443 -11.943 -105.518 -5.86934 -107.961 PRESSAVG: 2345800 38.9797 31.9191 -5.15457 31.919 -9.86103 38.0491 -5.15451 38.0489 14.6464 GPRESSAVG: 2345800 38.5063 30.7503 -3.38409 33.7295 -10.0661 39.7466 -4.32062 36.656 15.2297 TIMING: 2345800 CPU: 7001.84, 0.00298059/step Wall: 7001.84, 0.00298059/step, 2.19752 hours remaining, 207.687500 MB of memory in use. ENERGY: 2345800 743.8449 2144.6544 1928.9364 101.4103 -205976.1195 17633.0401 0.0000 0.0000 34511.3693 -148912.8642 301.3964 -183424.2334 -148809.4510 300.0829 -94.8926 -66.5215 556979.2988 14.5884 14.5567 PRESSURE: 2346000 -194.518 23.2359 157.109 23.2379 -54.8796 -77.5407 157.11 -77.5419 -63.1283 GPRESSURE: 2346000 -114.152 47.3466 128.672 47.5186 -56.492 -44.0897 111.004 -118.016 -53.6226 PRESSAVG: 2346000 -6.45863 52.7789 35.2824 52.7789 43.7144 -35.7893 35.2823 -35.7893 -56.4492 GPRESSAVG: 2346000 -6.44265 52.9033 31.4779 49.8268 44.334 -35.1843 36.1484 -36.7229 -57.6054 TIMING: 2346000 CPU: 7002.44, 0.00298002/step Wall: 7002.44, 0.00298002/step, 2.19694 hours remaining, 207.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2346000 745.5737 2053.1207 1948.0899 105.1584 -205647.4330 17488.4518 0.0000 0.0000 34627.7875 -148679.2510 302.4131 -183307.0385 -148579.3150 301.5373 -104.1754 -74.7555 556921.4286 -6.3978 -6.5713 PRESSURE: 2346200 -251.219 -102.094 -63.7114 -102.093 -43.4694 -92.5159 -63.7124 -92.517 -199.283 GPRESSURE: 2346200 -244.736 -33.1113 -47.8656 -158.032 48.2234 8.05393 -84.0752 -216.008 -206.622 PRESSAVG: 2346200 23.7672 -1.56044 -7.41764 -1.56045 0.408668 -19.4722 -7.41762 -19.4722 -30.2037 GPRESSAVG: 2346200 22.8115 -0.292143 -6.5816 -0.584353 1.01895 -21.7277 -9.37925 -18.7447 -29.8091 TIMING: 2346200 CPU: 7003.03, 0.00297797/step Wall: 7003.03, 0.00297797/step, 2.19526 hours remaining, 207.687500 MB of memory in use. ENERGY: 2346200 773.9431 2067.5326 1943.5426 114.0605 -205760.0339 17584.6144 0.0000 0.0000 34505.9909 -148770.3497 301.3494 -183276.3406 -148671.0039 301.0517 -164.6571 -134.3781 557281.1373 -2.0093 -1.9929 PRESSURE: 2346400 -190.895 -63.4712 -32.0014 -63.4724 1.03415 202.507 -32.002 202.507 -173.851 GPRESSURE: 2346400 -222.355 -148.353 -43.8742 -28.0845 91.8882 145.573 35.2401 167.808 -145.785 PRESSAVG: 2346400 16.2395 23.9206 42.7605 23.9205 -12.9158 -46.5735 42.7606 -46.5736 4.26214 GPRESSAVG: 2346400 16.8347 23.2489 43.8926 23.1841 -12.7317 -46.446 44.7937 -46.273 4.42259 TIMING: 2346400 CPU: 7003.62, 0.00296207/step Wall: 7003.62, 0.00296207/step, 2.18337 hours remaining, 207.687500 MB of memory in use. ENERGY: 2346400 738.1414 2074.6503 1926.0384 122.3679 -205690.0557 17556.4115 0.0000 0.0000 34450.2210 -148822.2252 300.8623 -183272.4462 -148726.1646 300.7062 -121.2372 -92.0840 556715.2029 2.5286 2.8419 PRESSURE: 2346600 -100.428 36.9099 -39.8775 36.9105 -132.188 218.493 -39.8765 218.492 91.141 GPRESSURE: 2346600 -102.13 56.4151 -109.962 -39.8773 -67.2144 154.543 -71.276 235.713 116.288 PRESSAVG: 2346600 -25.1877 -5.74414 -48.9519 -5.74425 70.33 100.625 -48.952 100.625 -61.3274 GPRESSAVG: 2346600 -24.1161 -7.36984 -49.812 -5.42759 69.2048 101.789 -51.489 99.0758 -61.6375 TIMING: 2346600 CPU: 7004.22, 0.00296058/step Wall: 7004.22, 0.00296058/step, 2.18211 hours remaining, 207.687500 MB of memory in use. ENERGY: 2346600 719.7785 2085.8521 1938.9456 120.0061 -205977.1564 17717.1082 0.0000 0.0000 34325.5298 -149069.9360 299.7734 -183395.4658 -148970.0299 300.2425 -47.1582 -17.6856 556401.9715 -5.3950 -5.5163 PRESSURE: 2346800 128.852 15.0092 43.5785 15.01 10.4434 -148.658 43.5792 -148.659 307.805 GPRESSURE: 2346800 154.083 -75.0683 -56.9963 107.609 56.1411 -122.236 37.5966 -158.431 339.148 PRESSAVG: 2346800 16.2491 -0.72195 9.57537 -0.722046 -34.9156 36.2842 9.57528 36.2841 1.82919 GPRESSAVG: 2346800 15.5919 1.36308 9.91693 -0.937556 -34.8046 35.2668 10.2153 37.2178 3.20327 TIMING: 2346800 CPU: 7004.81, 0.00298357/step Wall: 7004.81, 0.00298357/step, 2.19889 hours remaining, 207.687500 MB of memory in use. ENERGY: 2346800 734.6609 2007.0532 1965.1808 110.8553 -206209.3158 17861.8238 0.0000 0.0000 34331.4225 -149198.3193 299.8249 -183529.7418 -149107.5363 299.4004 149.0335 183.1242 555259.3626 -5.6124 -5.3365 PRESSURE: 2347000 66.9196 -161.355 58.0377 -161.355 -141.586 82.4092 58.0376 82.4094 -186.919 GPRESSURE: 2347000 82.4327 -125.735 1.52702 -145.678 -101.234 61.2125 79.0008 4.24321 -140.871 PRESSAVG: 2347000 12.8679 5.16814 33.9383 5.16807 9.5865 35.0633 33.9384 35.0633 -32.0167 GPRESSAVG: 2347000 12.3099 4.10892 33.6782 5.97659 10.3121 35.7562 35.8188 34.7133 -32.5004 TIMING: 2347000 CPU: 7005.41, 0.00299143/step Wall: 7005.41, 0.00299143/step, 2.20452 hours remaining, 207.687500 MB of memory in use. ENERGY: 2347000 759.4100 2018.0703 1921.2165 110.5106 -205827.5509 17539.3850 0.0000 0.0000 34231.3867 -149247.5717 298.9512 -183478.9584 -149153.3877 298.6175 -87.1951 -53.2241 556801.8946 -3.1874 -3.2928 PRESSURE: 2347200 242.558 143.928 179.553 143.93 -202.3 -41.1657 179.553 -41.1665 411.165 GPRESSURE: 2347200 298.269 188.924 124.071 68.3534 -159.998 -80.2867 173.218 -52.683 414.984 PRESSAVG: 2347200 -0.620833 -0.514904 52.7719 -0.514852 -49.1557 6.917 52.7719 6.91692 75.0806 GPRESSAVG: 2347200 -0.45476 0.906607 51.1463 -0.178425 -50.0667 6.92513 51.0474 7.26027 75.3139 TIMING: 2347200 CPU: 7006.01, 0.00296842/step Wall: 7006.01, 0.00296842/step, 2.1874 hours remaining, 207.687500 MB of memory in use. ENERGY: 2347200 693.4617 2091.1194 1925.8894 111.8967 -206121.5164 17948.4920 0.0000 0.0000 34169.5651 -149181.0920 298.4113 -183350.6571 -149090.8860 299.1462 150.4741 184.4184 556405.6626 8.4347 8.2641 PRESSURE: 2347400 5.83271 29.6458 41.5806 29.6462 147.164 18.6456 41.5804 18.6445 -29.7336 GPRESSURE: 2347400 92.304 60.2812 -3.90051 -26.3694 201.204 -32.7299 76 45.876 -73.9556 PRESSAVG: 2347400 24.1808 -48.5482 15.9226 -48.5482 -38.1458 -47.6154 15.9226 -47.6154 24.2106 GPRESSAVG: 2347400 23.9776 -49.921 17.6333 -48.8081 -37.296 -49.3129 15.2483 -48.2355 23.3879 TIMING: 2347400 CPU: 7006.6, 0.00296244/step Wall: 7006.6, 0.00296244/step, 2.18283 hours remaining, 207.687500 MB of memory in use. ENERGY: 2347400 708.6332 2088.2818 1896.2555 115.7073 -206106.5236 17860.8793 0.0000 0.0000 34118.9249 -149317.8417 297.9691 -183436.7666 -149225.0755 298.7148 41.0876 73.1840 556682.6976 3.4152 3.3565 PRESSURE: 2347600 17.1686 -147.158 94.9253 -147.158 -343.242 190.689 94.9252 190.69 -1.07473 GPRESSURE: 2347600 62.7798 -171.131 66.1258 -74.5755 -320.118 224.404 104.957 76.5266 34.5974 PRESSAVG: 2347600 31.4328 -71.9108 19.2388 -71.9108 -31.9609 32.1142 19.2388 32.1142 6.75206 GPRESSAVG: 2347600 30.6899 -72.4843 19.9451 -70.3191 -32.4676 34.795 19.1659 33.0004 7.90844 TIMING: 2347600 CPU: 7007.19, 0.00295494/step Wall: 7007.19, 0.00295494/step, 2.17714 hours remaining, 207.687500 MB of memory in use. ENERGY: 2347600 712.0467 2053.6946 1941.3772 102.5664 -205924.0900 17548.3158 0.0000 0.0000 34358.0489 -149208.0405 300.0574 -183566.0893 -149118.4944 298.9451 -109.0492 -74.2469 556788.4353 2.0746 2.0436 PRESSURE: 2347800 104.297 -97.7175 -46.9967 -97.718 -87.9628 -78.5395 -46.9965 -78.5389 -148.229 GPRESSURE: 2347800 76.2598 -78.3944 -24.3715 -48.1655 -41.0435 -110.494 -91.7189 -97.4329 -69.6951 PRESSAVG: 2347800 19.9482 -35.8805 4.96034 -35.8805 10.7288 92.5149 4.96031 92.5148 -1.33641 GPRESSAVG: 2347800 20.3466 -35.4782 5.80342 -36.7091 12.7329 90.2999 5.44717 91.1472 -2.74519 TIMING: 2347800 CPU: 7007.78, 0.00296298/step Wall: 7007.78, 0.00296298/step, 2.1829 hours remaining, 207.687500 MB of memory in use. ENERGY: 2347800 744.1915 2096.0088 1917.1762 114.9106 -205989.1820 17710.5063 0.0000 0.0000 34205.5824 -149200.8062 298.7259 -183406.3887 -149102.3116 299.5338 -43.9653 -11.4929 557260.3480 9.7802 10.1114 PRESSURE: 2348000 -45.8805 -99.4422 -15.6419 -99.4435 -122.335 152.474 -15.6417 152.473 -123.984 GPRESSURE: 2348000 -2.5606 -72.3403 -43.6523 -162.438 -101.31 125.378 37.4309 158.464 -90.5514 PRESSAVG: 2348000 44.2157 -32.7574 -19.0039 -32.7573 -35.8803 40.6592 -19.0038 40.6592 -16.4408 GPRESSAVG: 2348000 44.5597 -33.8899 -21.7217 -34.6485 -35.7606 41.4805 -19.9107 41.6428 -16.8406 TIMING: 2348000 CPU: 7008.37, 0.00293754/step Wall: 7008.37, 0.00293754/step, 2.16399 hours remaining, 207.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2348000 750.8854 2133.8131 1933.6179 116.3280 -206024.7902 17711.2115 0.0000 0.0000 34316.7356 -149062.1986 299.6966 -183378.9342 -148969.6460 299.3093 -97.3996 -64.8072 556647.3854 -2.7018 -2.6805 PRESSURE: 2348200 -394.4 -37.3288 91.3074 -37.3286 -181.717 117.168 91.3075 117.17 -222.772 GPRESSURE: 2348200 -387.976 -8.77383 48.5317 -66.4363 -131.949 -25.4064 122.252 212.166 -176.361 PRESSAVG: 2348200 108.362 20.4169 10.6308 20.417 1.9873 38.846 10.6307 38.8461 -85.2876 GPRESSAVG: 2348200 108.784 20.944 13.3338 21.3374 -0.0899938 37.2244 12.1088 39.7489 -84.0327 TIMING: 2348200 CPU: 7008.96, 0.00295486/step Wall: 7008.96, 0.00295486/step, 2.17658 hours remaining, 207.687500 MB of memory in use. ENERGY: 2348200 713.0284 2068.4336 1970.0476 116.3394 -205769.0136 17483.4675 0.0000 0.0000 34163.7613 -149253.9358 298.3606 -183417.6971 -149158.7250 299.4232 -266.2963 -232.0952 559265.6297 8.3540 8.2203 LDB: ============= START OF LOAD BALANCING ============== 7012.51 LDB: ============== END OF LOAD BALANCING =============== 7012.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7012.51 LDB: ============= START OF LOAD BALANCING ============== 7012.8 LDB: Largest compute 4773 load 0.027497 is 23.3% of average load 0.118226 LDB: Average compute 0.001717 is 1.5% of average load 0.118226 LDB: TIME 7012.81 LOAD: AVG 0.118226 MAX 0.19912 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.352 MB LDB: TIME 7012.81 LOAD: AVG 0.118226 MAX 0.19912 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.352 MB LDB: TIME 7012.81 LOAD: AVG 0.118226 MAX 0.19912 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7012.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7012.81 PRESSURE: 2348400 59.4971 103.554 84.7758 103.553 -29.0619 -85.7489 84.7755 -85.7483 238.77 GPRESSURE: 2348400 97.7571 109.338 23.0968 232.191 19.6436 -123.198 46.3875 -94.8622 254.768 PRESSAVG: 2348400 42.4859 -22.9034 -24.5132 -22.9034 -7.90142 -27.8467 -24.5132 -27.8467 -26.6413 GPRESSAVG: 2348400 42.6759 -24.6419 -27.9575 -20.6584 -7.43635 -28.1644 -24.1154 -26.6872 -27.5178 TIMING: 2348400 CPU: 7009.56, 0.00300635/step Wall: 7009.56, 0.00300635/step, 2.21434 hours remaining, 206.714844 MB of memory in use. ENERGY: 2348400 751.7788 2096.8752 1920.7101 122.1465 -206289.5358 17902.0763 0.0000 0.0000 34408.2480 -149087.7009 300.4958 -183495.9489 -148990.8553 299.7162 89.7352 124.0564 557861.7074 2.6477 2.5739 PRESSURE: 2348600 55.2768 -95.4687 -43.0347 -95.4679 -41.0766 77.0632 -43.0358 77.0637 -375.028 GPRESSURE: 2348600 106.071 -53.6496 -18.4527 -174.128 -37.4871 47.8501 -86.0359 30.6741 -334.581 PRESSAVG: 2348600 -33.0201 62.1697 -27.2053 62.1697 54.1743 -53.6641 -27.2053 -53.6641 -20.4127 GPRESSAVG: 2348600 -33.6811 65.1839 -25.6831 59.2087 54.0263 -52.2837 -26.9058 -53.7609 -19.4079 TIMING: 2348600 CPU: 7010.16, 0.00297056/step Wall: 7010.16, 0.00297056/step, 2.18782 hours remaining, 206.714844 MB of memory in use. ENERGY: 2348600 764.2357 1996.4646 1906.4806 118.3520 -206102.3122 17656.9909 0.0000 0.0000 34513.5251 -149146.2633 301.4152 -183659.7884 -149044.8667 299.5195 -120.2760 -88.6656 556905.1862 0.2472 0.3124 PRESSURE: 2348800 67.7619 -67.0943 -214.911 -67.0927 -122.659 28.6071 -214.91 28.6086 100.354 GPRESSURE: 2348800 105.739 -79.7792 -182.3 -17.4963 -102.078 43.5127 -162.428 24.0008 146.548 PRESSAVG: 2348800 -9.02795 36.3158 -11.4194 36.3159 -10.3874 -42.9199 -11.4193 -42.9199 -5.7956 GPRESSAVG: 2348800 -8.79093 33.4158 -11.8736 38.6268 -9.46832 -42.5328 -11.2577 -43.3461 -6.89291 TIMING: 2348800 CPU: 7010.74, 0.00294646/step Wall: 7010.74, 0.00294646/step, 2.1699 hours remaining, 206.714844 MB of memory in use. ENERGY: 2348800 778.6299 2065.7025 1933.3045 108.7021 -206388.0264 17942.1343 0.0000 0.0000 34541.9304 -149017.6226 301.6633 -183559.5530 -148929.8317 299.4020 15.1524 50.0697 557526.4162 -8.4037 -8.3841 PRESSURE: 2349000 -1.96803 103.318 15.3525 103.318 -42.961 141.898 15.3517 141.898 -222.066 GPRESSURE: 2349000 41.7468 107.796 40.1909 82.7299 -6.64244 168.919 37.154 129.72 -204.572 PRESSAVG: 2349000 -38.7629 21.9081 -41.8075 21.9081 -13.846 34.3781 -41.8075 34.378 63.4989 GPRESSAVG: 2349000 -39.2688 21.8903 -41.8519 21.1875 -13.5165 34.2586 -42.3491 35.8389 63.8698 TIMING: 2349000 CPU: 7011.34, 0.0029644/step Wall: 7011.34, 0.0029644/step, 2.18295 hours remaining, 206.714844 MB of memory in use. ENERGY: 2349000 738.7672 2057.5571 1940.5415 112.0806 -206267.5316 17815.5981 0.0000 0.0000 34530.3209 -149072.6661 301.5619 -183602.9870 -148984.1402 300.4610 -88.9982 -56.4891 557788.0289 3.6300 3.6948 PRESSURE: 2349200 -289.826 -9.36424 -230.845 -9.3641 23.9895 -26.7648 -230.846 -26.7658 157.656 GPRESSURE: 2349200 -209.928 -57.8902 -206.425 -10.974 36.2539 -35.2544 -183.101 33.2286 158.268 PRESSAVG: 2349200 8.14149 43.9562 -32.9577 43.9562 37.2216 -12.5114 -32.9576 -12.5114 -56.3407 GPRESSAVG: 2349200 7.73533 45.1038 -32.1918 44.02 37.0759 -10.6176 -33.4159 -12.6785 -55.6551 TIMING: 2349200 CPU: 7011.93, 0.00296908/step Wall: 7011.93, 0.00296908/step, 2.18623 hours remaining, 206.714844 MB of memory in use. ENERGY: 2349200 760.3981 2053.0058 1932.2309 122.9156 -206720.3873 17999.7374 0.0000 0.0000 34754.9704 -149097.1292 303.5238 -183852.0996 -149010.3343 301.2543 -36.0602 -5.1352 557475.7312 -3.6592 -3.6146 PRESSURE: 2349400 -186.028 24.4971 125.994 24.4956 -193.58 17.7407 125.993 17.7404 -176.693 GPRESSURE: 2349400 -127.051 -1.56159 54.4834 -41.348 -203.683 -83.382 170.587 83.2407 -120.7 PRESSAVG: 2349400 28.4137 -20.985 -28.9298 -20.9851 -14.1436 -27.0312 -28.93 -27.0311 0.172334 GPRESSAVG: 2349400 28.1096 -22.2852 -28.8579 -21.5805 -14.2078 -31.309 -30.0739 -27.3805 0.554417 TIMING: 2349400 CPU: 7012.52, 0.0029618/step Wall: 7012.52, 0.0029618/step, 2.18071 hours remaining, 206.714844 MB of memory in use. ENERGY: 2349400 784.0565 2040.1502 1957.2985 108.5987 -206153.0919 17563.2064 0.0000 0.0000 34382.3456 -149317.4359 300.2696 -183699.7815 -149215.9488 300.0318 -185.4334 -150.4779 556476.1990 4.8141 4.8187 PRESSURE: 2349600 7.97012 -104.172 6.21858 -104.172 -209.936 -174.254 6.21843 -174.255 -93.8324 GPRESSURE: 2349600 62.0739 -67.8856 -53.3943 -108.009 -158.891 -144.128 27.0487 -140.634 -93.4101 PRESSAVG: 2349600 -85.853 -17.7034 2.13859 -17.7034 27.4455 -82.439 2.13859 -82.4389 56.9421 GPRESSAVG: 2349600 -84.03 -14.9703 2.99963 -19.306 26.6071 -81.9661 3.2683 -81.0369 56.315 TIMING: 2349600 CPU: 7013.12, 0.00297108/step Wall: 7013.12, 0.00297108/step, 2.18738 hours remaining, 206.714844 MB of memory in use. ENERGY: 2349600 749.9179 2053.0435 1917.7993 99.6752 -205726.2986 17554.0594 0.0000 0.0000 34140.8612 -149210.9420 298.1606 -183351.8032 -149108.0576 298.8577 -98.5995 -63.4089 558524.0158 -0.4885 -0.3693 PRESSURE: 2349800 -209.248 99.8877 11.7555 99.8892 -216.186 -6.44957 11.7563 -6.45001 -185.839 GPRESSURE: 2349800 -235.385 63.2725 -44.1086 142.836 -210.899 39.9609 37.9277 -48.6473 -79.5048 PRESSAVG: 2349800 36.245 4.38889 -49.4295 4.38896 -6.22506 -34.7994 -49.4295 -34.7993 0.915056 GPRESSAVG: 2349800 35.6627 2.74923 -51.883 6.07152 -6.05314 -32.4705 -48.747 -35.6205 0.691263 TIMING: 2349800 CPU: 7013.71, 0.00296713/step Wall: 7013.71, 0.00296713/step, 2.1843 hours remaining, 206.714844 MB of memory in use. ENERGY: 2349800 777.1380 2050.9952 1908.2242 107.5093 -205897.5843 17511.3551 0.0000 0.0000 34542.4020 -148999.9605 301.6674 -183542.3625 -148897.2785 299.7449 -203.7577 -175.2630 559008.4890 10.3117 10.1003 PRESSURE: 2350000 354.641 184.771 83.7735 184.771 222.23 -168.409 83.7747 -168.408 -149.599 GPRESSURE: 2350000 401.469 164.04 69.2153 177.326 237.492 -189.509 67.5224 -130.268 -103.938 PRESSAVG: 2350000 20.9876 53.2516 -39.157 53.2517 -4.22417 -27.7688 -39.157 -27.7687 -19.5536 GPRESSAVG: 2350000 21.2342 54.1745 -37.0104 51.5231 -3.81415 -28.4819 -40.0823 -28.8498 -20.1589 TIMING: 2350000 CPU: 7014.3, 0.00296748/step Wall: 7014.3, 0.00296748/step, 2.1844 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2350000 784.6602 2048.5115 1903.5997 112.5495 -205916.0274 17875.9023 0.0000 0.0000 34236.0414 -148954.7629 298.9919 -183190.8042 -148856.5545 299.9887 142.4244 178.3412 557163.1702 -0.9300 -0.9130 PRESSURE: 2350200 -292.445 -21.4414 92.9111 -21.4414 52.6954 -102.13 92.9106 -102.128 241.618 GPRESSURE: 2350200 -224.01 16.1708 122.373 -71.9689 75.3473 -93.4365 83.1344 -58.3728 249.053 PRESSAVG: 2350200 -11.8367 60.7609 26.3008 60.761 -10.4045 -7.80395 26.3007 -7.80408 25.6654 GPRESSAVG: 2350200 -12.5432 62.3307 24.9207 59.9226 -9.78268 -7.18317 26.78 -8.82676 25.8297 TIMING: 2350200 CPU: 7014.9, 0.00295525/step Wall: 7014.9, 0.00295525/step, 2.17523 hours remaining, 206.714844 MB of memory in use. ENERGY: 2350200 724.8551 2056.0805 1914.8867 114.8048 -206244.7145 17868.6995 0.0000 0.0000 34510.9422 -149054.4457 301.3926 -183565.3879 -148955.4234 299.8759 0.6228 33.4632 557271.3328 1.1414 1.1679 PRESSURE: 2350400 -75.9983 159.436 -15.2576 159.436 -70.6744 127.673 -15.2573 127.673 -83.5844 GPRESSURE: 2350400 -2.56304 70.6545 19.7731 211.399 -80.0256 157.587 25.5138 124.697 -39.8443 PRESSAVG: 2350400 26.8594 -7.97635 14.1309 -7.97636 -36.5384 6.55108 14.1309 6.55103 5.27109 GPRESSAVG: 2350400 27.0484 -9.89284 15.0618 -5.67242 -36.9652 7.1215 13.3275 8.24921 5.55279 TIMING: 2350400 CPU: 7015.49, 0.00295629/step Wall: 7015.49, 0.00295629/step, 2.17583 hours remaining, 206.714844 MB of memory in use. ENERGY: 2350400 765.2519 2093.5490 1905.7376 103.4346 -205707.2621 17593.2038 0.0000 0.0000 34231.3169 -149014.7684 298.9506 -183246.0852 -148909.7163 300.4318 -76.7523 -40.8110 557848.0137 -1.4693 -1.4547 PRESSURE: 2350600 73.9682 -9.31556 141.778 -9.31634 50.1245 -134.132 141.777 -134.133 150.835 GPRESSURE: 2350600 92.5585 -13.3738 73.4615 -77.0719 96.9232 -195.177 155.423 -148.938 193.048 PRESSAVG: 2350600 -10.9491 29.02 2.69098 29.0201 42.0342 42.4785 2.69105 42.4785 -54.9778 GPRESSAVG: 2350600 -9.80083 29.3247 1.86125 28.0149 41.6169 41.8029 2.85071 43.16 -55.3154 TIMING: 2350600 CPU: 7016.08, 0.00298338/step Wall: 7016.08, 0.00298338/step, 2.1956 hours remaining, 206.714844 MB of memory in use. ENERGY: 2350600 726.0514 2074.1591 1952.4320 109.8853 -206238.2990 18040.3628 0.0000 0.0000 34316.7163 -149018.6922 299.6964 -183335.4085 -148919.7195 299.7526 91.6427 127.5097 559173.9937 -7.9642 -7.8331 PRESSURE: 2350800 -127.865 -38.0874 228.389 -38.0865 -94.9746 -82.8902 228.389 -82.8917 -76.969 GPRESSURE: 2350800 -131.078 32.8074 181.271 -94.4262 -2.84432 -130.343 214.146 10.1996 -75.3476 PRESSAVG: 2350800 -45.2997 -16.6421 -16.8648 -16.6421 -51.2543 0.222998 -16.8649 0.222913 95.6515 GPRESSAVG: 2350800 -46.3597 -18.097 -16.6922 -14.431 -50.7221 0.569415 -15.9952 -0.484038 95.7479 TIMING: 2350800 CPU: 7016.69, 0.0030176/step Wall: 7016.69, 0.0030176/step, 2.22062 hours remaining, 206.714844 MB of memory in use. ENERGY: 2350800 752.6251 2111.7855 1917.0563 132.2137 -205852.7838 17739.1117 0.0000 0.0000 34041.6414 -149158.3502 297.2941 -183199.9916 -149067.5884 299.3079 -99.9362 -69.7566 558567.8930 -0.3008 -0.4446 PRESSURE: 2351000 241.46 -51.0912 -80.2689 -51.0908 99.858 -36.0479 -80.2674 -36.0468 240.315 GPRESSURE: 2351000 256.367 -66.0014 -128.152 7.09947 102.913 -34.5614 -94.3741 -57.1422 312.534 PRESSAVG: 2351000 34.07 37.7156 28.6107 37.7156 -40.2702 -7.74572 28.6106 -7.74573 11.5959 GPRESSAVG: 2351000 33.9351 39.0966 28.5567 39.5664 -40.9203 -7.99903 26.984 -8.33893 11.4664 TIMING: 2351000 CPU: 7017.29, 0.00300545/step Wall: 7017.29, 0.00300545/step, 2.21151 hours remaining, 206.714844 MB of memory in use. ENERGY: 2351000 705.2956 2053.6911 1928.9265 104.7065 -206195.5129 17963.4030 0.0000 0.0000 34195.5453 -149243.9451 298.6382 -183439.4903 -149148.2478 298.8811 193.8778 223.9381 556520.4800 1.7986 1.4937 PRESSURE: 2351200 37.3671 11.2472 51.5525 11.2471 221.99 -19.2742 51.5523 -19.2742 97.1851 GPRESSURE: 2351200 84.3212 -13.5337 29.2268 58.0732 229.778 2.26033 38.8728 -27.9033 132.363 PRESSAVG: 2351200 64.5108 48.5773 -22.3467 48.5773 -27.6505 -6.99419 -22.3468 -6.99412 -74.3162 GPRESSAVG: 2351200 64.1532 48.7046 -24.2881 44.5328 -27.6155 -6.31798 -18.1425 -7.75378 -73.9693 TIMING: 2351200 CPU: 7017.88, 0.00298094/step Wall: 7017.88, 0.00298094/step, 2.19331 hours remaining, 206.714844 MB of memory in use. ENERGY: 2351200 738.4952 2068.2407 1926.6498 116.3381 -206572.6788 18180.5757 0.0000 0.0000 34424.2800 -149118.0995 300.6358 -183542.3795 -149027.8707 299.1981 118.8474 148.8210 558313.7226 -12.4853 -12.4772 PRESSURE: 2351400 -168.272 -68.4216 85.7605 -68.4215 153.641 -87.6686 85.7602 -87.6679 -115.909 GPRESSURE: 2351400 -115.716 -96.7496 136.944 -21.9321 201.758 -200.076 60.3893 -27.2744 -116.076 PRESSAVG: 2351400 20.4915 -14.333 30.3179 -14.333 -46.9173 -35.0288 30.318 -35.0289 46.2358 GPRESSAVG: 2351400 21.0244 -13.4725 31.5356 -13.1447 -46.9763 -35.2866 28.7 -34.066 46.2643 TIMING: 2351400 CPU: 7018.48, 0.00295915/step Wall: 7018.48, 0.00295915/step, 2.17711 hours remaining, 206.714844 MB of memory in use. ENERGY: 2351400 733.1248 2124.1534 1921.2281 111.8073 -206036.9266 17740.3571 0.0000 0.0000 34173.9004 -149232.3554 298.4492 -183406.2558 -149138.6758 299.3667 -43.5136 -10.0112 557818.9739 6.6033 6.7708 PRESSURE: 2351600 -399.084 118.501 152.585 118.501 72.165 -179.008 152.586 -179.007 74.8514 GPRESSURE: 2351600 -331.235 161.254 157.048 37.3423 43.7677 -148.238 172.11 -217.238 120.199 PRESSAVG: 2351600 -28.5088 27.527 -4.92288 27.5271 19.1624 4.20575 -4.92291 4.2058 -17.1076 GPRESSAVG: 2351600 -28.4334 26.5274 -2.86507 27.9672 19.0877 3.09775 -7.08084 5.56928 -17.0976 TIMING: 2351600 CPU: 7019.07, 0.00295715/step Wall: 7019.07, 0.00295715/step, 2.17548 hours remaining, 206.714844 MB of memory in use. ENERGY: 2351600 737.3997 2151.7514 1929.6856 118.6980 -206356.2013 17716.6830 0.0000 0.0000 34254.7387 -149447.2448 299.1552 -183701.9835 -149350.9913 299.1074 -84.0226 -55.7559 557945.0213 -8.8180 -8.8144 PRESSURE: 2351800 2.99 -51.7403 20.0207 -51.7393 178.905 -91.1892 20.0217 -91.1872 9.60919 GPRESSURE: 2351800 29.5313 -109.434 120.613 -60.3311 202.647 -89.7175 -148.543 -17.3397 62.2165 PRESSAVG: 2351800 -74.5619 -10.3161 -11.305 -10.316 101.397 -14.5297 -11.3051 -14.5298 10.1837 GPRESSAVG: 2351800 -74.189 -10.3676 -11.5302 -10.5394 100.83 -14.1538 -12.1727 -14.9059 10.3568 TIMING: 2351800 CPU: 7019.66, 0.00297164/step Wall: 7019.66, 0.00297164/step, 2.18597 hours remaining, 206.714844 MB of memory in use. ENERGY: 2351800 717.4967 2078.0918 1925.2767 109.5009 -206611.3850 17951.7822 0.0000 0.0000 34114.3756 -149714.8611 297.9293 -183829.2368 -149615.7862 298.2432 63.8346 98.1317 556060.9856 12.3396 12.3325 PRESSURE: 2352000 1.20479 -63.0964 -73.1315 -63.0965 -149.789 4.18655 -73.1313 4.18539 162.836 GPRESSURE: 2352000 38.7717 -113.874 -44.4374 -28.4067 -113.533 -71.1303 -174.865 108.832 192.58 PRESSAVG: 2352000 18.3317 -81.3292 -31.6579 -81.3293 49.5321 -10.4828 -31.6579 -10.4828 -34.8569 GPRESSAVG: 2352000 18.4098 -80.1469 -33.13 -81.3633 50.0663 -9.91281 -30.7465 -10.4465 -36.3453 TIMING: 2352000 CPU: 7020.26, 0.00298649/step Wall: 7020.26, 0.00298649/step, 2.19673 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2352000 748.8439 2080.1882 1936.9051 109.1136 -206763.7677 17994.5348 0.0000 0.0000 34048.9341 -149845.2479 297.3578 -183894.1820 -149755.4072 297.9943 4.7505 39.2730 556284.8520 11.0023 10.7103 PRESSURE: 2352200 -29.9335 38.8526 -92.357 38.853 -87.5396 -18.0798 -92.358 -18.0788 -142.95 GPRESSURE: 2352200 -24.6127 64.217 -111.952 87.3271 -61.0347 21.3381 -103.45 -85.4092 -79.9807 PRESSAVG: 2352200 -18.0184 -2.91616 10.095 -2.91622 63.5067 5.78779 10.0951 5.78785 -41.3625 GPRESSAVG: 2352200 -18.8337 -2.8999 8.1292 -4.59315 63.0183 6.94426 10.7024 4.04757 -40.8241 TIMING: 2352200 CPU: 7020.86, 0.00298528/step Wall: 7020.86, 0.00298528/step, 2.19567 hours remaining, 206.714844 MB of memory in use. ENERGY: 2352200 691.1698 2059.7421 1918.7222 112.7247 -206045.2564 17615.4478 0.0000 0.0000 33847.3190 -149800.1307 295.5971 -183647.4498 -149706.6093 297.6629 -86.8076 -55.2094 556480.9406 1.3753 1.1201 LDB: ============= START OF LOAD BALANCING ============== 7024.41 LDB: ============== END OF LOAD BALANCING =============== 7024.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7024.41 LDB: ============= START OF LOAD BALANCING ============== 7024.71 LDB: Largest compute 4773 load 0.028459 is 24.1% of average load 0.118322 LDB: Average compute 0.001735 is 1.5% of average load 0.118322 LDB: TIME 7024.71 LOAD: AVG 0.118322 MAX 0.202345 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 7024.71 LOAD: AVG 0.118322 MAX 0.202345 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 7024.71 LOAD: AVG 0.118322 MAX 0.202345 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 7024.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7024.72 PRESSURE: 2352400 -52.2229 -15.7545 107.755 -15.7548 -194.058 140.018 107.755 140.017 -99.906 GPRESSURE: 2352400 -29.8872 -33.7738 67.9444 4.91982 -188.93 215.892 150.923 134.355 -18.0194 PRESSAVG: 2352400 -26.0172 25.6828 23.5503 25.6827 -8.7458 70.5125 23.5503 70.5126 40.1004 GPRESSAVG: 2352400 -24.7496 24.2368 24.9201 28.6483 -8.94792 69.9068 24.5958 69.9477 38.8645 TIMING: 2352400 CPU: 7021.47, 0.00304816/step Wall: 7021.47, 0.00304816/step, 2.24175 hours remaining, 206.714844 MB of memory in use. ENERGY: 2352400 751.4432 2071.8636 1898.8154 109.6833 -206535.9312 17694.6527 0.0000 0.0000 34128.3465 -149881.1265 298.0513 -184009.4731 -149779.5898 297.7221 -115.3956 -78.9455 556244.7115 1.7791 1.7223 PRESSURE: 2352600 -77.3212 -117.326 -26.1134 -117.327 43.0849 -183.42 -26.1155 -183.42 -8.52312 GPRESSURE: 2352600 -35.5722 -102.524 -21.9428 -162.669 88.9851 -222.15 0.737075 -137.661 15.7815 PRESSAVG: 2352600 -24.3182 -44.1512 15.584 -44.1512 40.4688 49.3336 15.584 49.3336 -42.2584 GPRESSAVG: 2352600 -25.9802 -43.8369 16.0984 -44.9118 40.8941 48.0811 13.8068 51.549 -40.8768 TIMING: 2352600 CPU: 7022.06, 0.0029673/step Wall: 7022.06, 0.0029673/step, 2.18212 hours remaining, 206.914062 MB of memory in use. ENERGY: 2352600 736.8533 2058.2447 1901.9467 121.6257 -206437.0818 17752.1962 0.0000 0.0000 34005.0529 -149861.1622 296.9746 -183866.2151 -149774.6588 297.3222 -14.2531 23.0648 555897.1733 -8.7026 -8.6543 PRESSURE: 2352800 250.209 -119.726 -90.0199 -119.725 56.1714 100.699 -90.0206 100.698 127.526 GPRESSURE: 2352800 304.384 -95.6668 -112.122 -125.968 101.51 175.52 -5.97282 44.5379 108.879 PRESSAVG: 2352800 4.0134 -5.0434 23.1096 -5.04335 31.7953 -7.16801 23.1096 -7.16793 -10.8205 GPRESSAVG: 2352800 4.50053 -4.46723 23.1519 -5.95059 31.2441 -6.5136 25.1302 -9.19449 -10.3828 TIMING: 2352800 CPU: 7022.65, 0.00297062/step Wall: 7022.65, 0.00297062/step, 2.18439 hours remaining, 206.914062 MB of memory in use. ENERGY: 2352800 728.7828 2058.7881 1891.9349 110.1188 -206809.4678 18039.0967 0.0000 0.0000 34202.1137 -149778.6328 298.6956 -183980.7465 -149677.7238 297.9590 144.6357 171.5911 555902.8659 8.3294 8.4539 PRESSURE: 2353000 151.527 -124.508 -29.6816 -124.508 -254.142 -54.9887 -29.6807 -54.9892 166.842 GPRESSURE: 2353000 173.951 -103.963 -15.0085 -141.738 -159.619 14.7284 -12.4281 -94.9561 143.747 PRESSAVG: 2353000 56.7484 -19.5876 13.402 -19.5875 44.7141 -58.1443 13.402 -58.1445 -77.4414 GPRESSAVG: 2353000 56.3858 -19.6578 15.5139 -19.9216 45.3552 -56.8576 10.9376 -58.5705 -78.0089 TIMING: 2353000 CPU: 7023.24, 0.00294497/step Wall: 7023.24, 0.00294497/step, 2.16537 hours remaining, 206.914062 MB of memory in use. ENERGY: 2353000 744.4809 2051.0638 1916.4944 100.8849 -206762.3387 17955.3046 0.0000 0.0000 34248.1090 -149746.0010 299.0973 -183994.1100 -149655.8542 297.8251 21.4091 52.6930 556122.3842 8.0070 7.9107 PRESSURE: 2353200 259.665 -53.3973 -280.854 -53.3974 -33.9415 -18.8019 -280.854 -18.802 -218.158 GPRESSURE: 2353200 328.968 5.43972 -186.504 -37.7366 -29.2942 72.004 -299.96 -8.25565 -201.354 PRESSAVG: 2353200 26.2535 -22.7222 -23.8665 -22.7222 -21.7773 9.00263 -23.8666 9.0027 -61.51 GPRESSAVG: 2353200 26.0982 -23.5832 -26.2931 -22.2622 -22.3688 6.61063 -23.0919 10.0151 -60.2131 TIMING: 2353200 CPU: 7023.83, 0.00295573/step Wall: 7023.83, 0.00295573/step, 2.17312 hours remaining, 206.914062 MB of memory in use. ENERGY: 2353200 723.4259 2059.6554 1929.4799 107.4655 -206457.9104 17740.7058 0.0000 0.0000 33947.6279 -149949.5500 296.4731 -183897.1778 -149852.5626 297.7343 2.5219 32.7732 557035.6131 -19.0113 -18.8279 PRESSURE: 2353400 -126.916 183.546 -49.9767 183.546 -245.975 206.563 -49.9764 206.563 -248.352 GPRESSURE: 2353400 -126.791 188.399 -72.127 189.48 -203.931 203.244 -47.2247 201.762 -194.876 PRESSAVG: 2353400 54.4318 -19.647 -39.2047 -19.6469 -30.9629 69.3427 -39.2046 69.3427 -33.7296 GPRESSAVG: 2353400 54.8685 -19.2085 -38.855 -19.4982 -30.1689 69.8873 -40.7607 70.1887 -35.1933 TIMING: 2353400 CPU: 7024.43, 0.0030049/step Wall: 7024.43, 0.0030049/step, 2.2091 hours remaining, 206.914062 MB of memory in use. ENERGY: 2353400 738.3138 1979.6146 1902.2058 109.7568 -206429.0789 17718.5207 0.0000 0.0000 34150.9835 -149829.6838 298.2490 -183980.6673 -149731.7718 297.3772 -207.0810 -175.1995 558106.5333 -3.4202 -3.4979 PRESSURE: 2353600 -57.1134 166.208 -66.1528 166.208 227.824 232.945 -66.1523 232.945 -246.479 GPRESSURE: 2353600 -80.2456 144.336 -33.8546 182.628 194.524 275.271 -75.6583 194.959 -113.167 PRESSAVG: 2353600 20.9699 45.0619 -75.1505 45.0619 32.8322 20.1072 -75.1505 20.1071 -57.313 GPRESSAVG: 2353600 19.4497 45.4796 -76.4419 44.9204 32.2885 20.2766 -73.5793 20.3267 -55.4916 TIMING: 2353600 CPU: 7025.03, 0.00297847/step Wall: 7025.03, 0.00297847/step, 2.18951 hours remaining, 206.953125 MB of memory in use. ENERGY: 2353600 738.0201 2061.2767 1933.1024 121.8597 -206475.9355 17750.9092 0.0000 0.0000 34205.6810 -149665.0865 298.7267 -183870.7674 -149574.1259 298.1995 -25.2559 0.3705 556878.1262 -1.1703 -1.2511 PRESSURE: 2353800 106.935 -27.8685 -15.3048 -27.8682 -12.262 -4.71101 -15.305 -4.70981 -164.979 GPRESSURE: 2353800 115.442 -146.792 -29.3521 68.0325 43.292 4.86309 78.732 -27.4905 -137.523 PRESSAVG: 2353800 -19.0393 -15.2852 -39.2242 -15.2852 61.922 -12.8773 -39.2242 -12.8774 -44.203 GPRESSAVG: 2353800 -18.0554 -16.67 -38.9569 -14.9054 62.4984 -13.1252 -39.9555 -13.7998 -45.5078 TIMING: 2353800 CPU: 7025.63, 0.00297504/step Wall: 7025.63, 0.00297504/step, 2.18682 hours remaining, 206.953125 MB of memory in use. ENERGY: 2353800 732.7528 2063.5775 1938.5274 107.3415 -206481.7673 17891.0522 0.0000 0.0000 34126.2046 -149622.3114 298.0326 -183748.5159 -149529.4022 298.5714 -23.4355 7.0703 558165.3706 -0.4401 -0.3550 PRESSURE: 2354000 13.1666 -14.9872 -48.006 -14.9854 -18.4936 132.536 -48.0061 132.536 64.6433 GPRESSURE: 2354000 32.3482 52.7531 20.0134 -93.2665 34.7669 97.8411 -67.1473 233.165 79.5544 PRESSAVG: 2354000 -22.0234 -62.5805 5.14573 -62.5806 97.5334 -4.6547 5.14568 -4.65459 -48.9703 GPRESSAVG: 2354000 -21.144 -60.9507 5.3827 -63.419 96.6981 -6.40338 5.15906 -2.25471 -49.405 TIMING: 2354000 CPU: 7026.23, 0.00302463/step Wall: 7026.23, 0.00302463/step, 2.2231 hours remaining, 206.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2354000 727.0094 2029.0075 1918.4780 106.7165 -206535.1046 17912.5214 0.0000 0.0000 34270.7611 -149570.6106 299.2951 -183841.3717 -149469.4555 297.8051 19.7721 48.8898 558159.4219 8.8466 8.7164 PRESSURE: 2354200 -177.243 -62.3238 6.19809 -62.3237 -7.44006 67.409 6.1988 67.4081 -380.822 GPRESSURE: 2354200 -163.653 -31.1742 4.6443 -104.44 -15.9183 15.0769 51.454 53.8296 -279.624 PRESSAVG: 2354200 2.02798 -36.2695 -19.8139 -36.2695 109.616 5.36182 -19.814 5.36176 -70.7639 GPRESSAVG: 2354200 2.99455 -35.6235 -21.2637 -35.9545 108.004 6.71014 -18.7385 3.93931 -69.6364 TIMING: 2354200 CPU: 7026.84, 0.00303998/step Wall: 7026.84, 0.00303998/step, 2.23421 hours remaining, 206.953125 MB of memory in use. ENERGY: 2354200 769.8641 2075.4423 1903.1283 97.5141 -206428.6006 17692.5170 0.0000 0.0000 34262.5242 -149627.6105 299.2231 -183890.1347 -149535.4326 297.6327 -188.5018 -153.0651 558626.9238 13.6267 13.7874 PRESSURE: 2354400 -122.945 190.162 64.9829 190.163 250.291 -46.5294 64.9824 -46.5285 51.7559 GPRESSURE: 2354400 -96.1388 142.078 31.1128 174.808 285.756 -98.59 71.8742 -16.9082 81.4393 PRESSAVG: 2354400 20.7778 18.8185 -11.2752 18.8185 30.8173 46.6385 -11.2751 46.6386 -47.9205 GPRESSAVG: 2354400 20.0286 17.1607 -10.7001 20.6258 32.0618 48.0997 -10.1398 44.7139 -48.0044 TIMING: 2354400 CPU: 7027.44, 0.00298286/step Wall: 7027.44, 0.00298286/step, 2.19207 hours remaining, 206.953125 MB of memory in use. ENERGY: 2354400 721.9785 2048.0064 1925.2405 119.9370 -206494.3253 17866.1134 0.0000 0.0000 34078.9761 -149734.0734 297.6202 -183813.0495 -149630.1625 297.8436 59.7005 90.3521 556234.3869 1.2249 1.3620 PRESSURE: 2354600 -148.534 -39.8722 -90.374 -39.8736 31.9268 106.102 -90.3751 106.101 -216.221 GPRESSURE: 2354600 -160.949 33.7951 -162.561 -58.493 103.845 131.011 -27.4528 20.6854 -186.068 PRESSAVG: 2354600 6.04625 -5.15249 19.6836 -5.15249 59.9906 -29.9906 19.6836 -29.9906 -65.4076 GPRESSAVG: 2354600 6.01762 -4.27427 19.6626 -6.69099 61.5098 -28.1218 19.1436 -28.8728 -66.8132 TIMING: 2354600 CPU: 7028.03, 0.0029731/step Wall: 7028.03, 0.0029731/step, 2.18473 hours remaining, 206.953125 MB of memory in use. ENERGY: 2354600 731.2935 2110.5492 1925.8727 104.7221 -206416.2324 17615.2436 0.0000 0.0000 34143.2601 -149785.2912 298.1816 -183928.5514 -149696.9228 297.6113 -110.9429 -81.0574 556727.2040 0.2097 0.2381 PRESSURE: 2354800 73.3785 18.6902 -3.21822 18.6907 -103.094 62.2821 -3.21702 62.2805 161.554 GPRESSURE: 2354800 161.252 50.4271 37.0728 -23.6171 -104.018 21.2291 14.7953 79.7619 165.273 PRESSAVG: 2354800 -67.9302 77.1532 -47.9483 77.1532 65.9519 11.7257 -47.9482 11.7259 -1.3403 GPRESSAVG: 2354800 -67.6973 78.0878 -46.8177 75.1728 64.1943 8.82941 -50.0188 11.2387 0.126692 TIMING: 2354800 CPU: 7028.62, 0.00295556/step Wall: 7028.62, 0.00295556/step, 2.17168 hours remaining, 206.953125 MB of memory in use. ENERGY: 2354800 733.6466 2092.0433 1926.2451 106.0303 -206918.1831 18000.4240 0.0000 0.0000 34282.9985 -149776.7953 299.4020 -184059.7938 -149681.3354 297.5155 43.9461 74.1691 556898.6248 -1.1062 -1.1254 PRESSURE: 2355000 70.6914 45.6185 -281.196 45.6184 288.954 -33.2548 -281.195 -33.2539 -105.649 GPRESSURE: 2355000 130.421 24.9857 -331.819 88.2315 295.383 8.10058 -253.765 -70.501 -84.2599 PRESSAVG: 2355000 45.77 49.4507 -35.3341 49.4507 16.7094 9.95085 -35.3342 9.95089 -24.9356 GPRESSAVG: 2355000 45.7614 48.3169 -37.749 52.2127 16.2446 10.0628 -33.4828 9.81006 -24.6265 TIMING: 2355000 CPU: 7029.21, 0.00294957/step Wall: 7029.21, 0.00294957/step, 2.16712 hours remaining, 206.953125 MB of memory in use. ENERGY: 2355000 753.1072 2060.4161 1912.8775 125.6313 -206860.3087 18005.0510 0.0000 0.0000 34294.7025 -149708.5232 299.5042 -184003.2256 -149614.5482 298.4889 84.6653 113.8479 555926.0785 12.5146 12.4599 PRESSURE: 2355200 78.4918 39.7525 65.0209 39.7524 178.787 44.4929 65.0215 44.4925 188.725 GPRESSURE: 2355200 112.176 114.771 96.7271 -27.5407 214.468 -3.0245 111.781 103.814 204.577 PRESSAVG: 2355200 48.6476 30.1256 -18.0649 30.1256 7.46228 -11.4005 -18.0649 -11.4005 -82.1655 GPRESSAVG: 2355200 48.53 30.3046 -16.4585 31.463 8.54509 -9.32975 -19.482 -11.8921 -83.1676 TIMING: 2355200 CPU: 7029.8, 0.00295967/step Wall: 7029.8, 0.00295967/step, 2.17437 hours remaining, 206.953125 MB of memory in use. ENERGY: 2355200 711.1874 2087.3352 1924.2193 102.6841 -206803.1772 18224.8993 0.0000 0.0000 34222.7114 -149530.1406 298.8755 -183752.8520 -149429.2544 298.4706 148.6680 177.0736 558599.8703 -8.6852 -8.6975 PRESSURE: 2355400 98.3555 73.0069 2.89692 73.0066 -119.037 -3.77637 2.89609 -3.77591 12.4258 GPRESSURE: 2355400 103.905 -49.6765 31.0953 154.832 -100.483 52.921 66.1402 -58.9656 62.1861 PRESSAVG: 2355400 -25.6974 36.0488 -17.9023 36.0487 49.4098 -8.78252 -17.9023 -8.78264 -17.3384 GPRESSAVG: 2355400 -26.3967 36.4457 -18.0498 34.4959 49.5972 -10.8384 -17.1259 -6.28707 -17.2806 TIMING: 2355400 CPU: 7030.39, 0.00294027/step Wall: 7030.39, 0.00294027/step, 2.15996 hours remaining, 206.953125 MB of memory in use. ENERGY: 2355400 722.7210 2054.2966 1940.7120 111.1728 -206280.5341 17811.4055 0.0000 0.0000 34026.2782 -149613.9481 297.1600 -183640.2263 -149511.5829 298.0845 -2.7519 21.8695 559058.6742 2.1247 1.9733 PRESSURE: 2355600 298.045 12.7979 -1.24199 12.7985 -402.927 -75.4104 -1.24251 -75.4099 97.7212 GPRESSURE: 2355600 254.657 -20.1824 94.2438 -6.15205 -334.578 -3.92849 -74.3362 -85.4195 171.657 PRESSAVG: 2355600 57.0366 -12.9141 -67.8664 -12.914 -51.4519 46.8901 -67.8664 46.89 18.3099 GPRESSAVG: 2355600 58.1803 -12.7523 -66.6764 -13.5983 -51.6294 44.8648 -70.8333 48.1573 17.9132 TIMING: 2355600 CPU: 7030.98, 0.00295316/step Wall: 7030.98, 0.00295316/step, 2.16926 hours remaining, 206.953125 MB of memory in use. ENERGY: 2355600 746.3332 2096.9246 1925.8653 105.1254 -206615.3971 17953.6598 0.0000 0.0000 34117.1438 -149670.3450 297.9535 -183787.4888 -149581.7610 298.1708 -2.3871 30.5789 555927.2314 7.9649 8.1547 PRESSURE: 2355800 -170.424 46.1228 7.26875 46.123 408.207 66.3614 7.26864 66.3606 62.3239 GPRESSURE: 2355800 -155.619 124.261 50.579 49.3765 444.771 33.7254 32.8676 10.2013 106.471 PRESSAVG: 2355800 32.6445 -20.8005 -4.82549 -20.8005 -30.5873 30.8686 -4.82542 30.8686 -0.533837 GPRESSAVG: 2355800 31.496 -21.0397 -7.77459 -19.1023 -29.9329 33.3505 -2.20333 27.5045 -0.317242 TIMING: 2355800 CPU: 7031.57, 0.00295914/step Wall: 7031.57, 0.00295914/step, 2.17349 hours remaining, 206.953125 MB of memory in use. ENERGY: 2355800 765.7121 2077.4978 1913.6105 103.8402 -206312.0198 17968.6378 0.0000 0.0000 33918.6069 -149564.1146 296.2196 -183482.7215 -149471.3716 298.2505 100.0355 131.8744 557039.0075 0.5078 0.4153 PRESSURE: 2356000 296.192 -19.2721 86.0666 -19.2716 452.449 0.0111276 86.0661 0.010091 74.9177 GPRESSURE: 2356000 353.192 -54.8663 58.717 15.7662 454.741 85.4042 105.734 -16.3156 111.676 PRESSAVG: 2356000 -24.8308 35.1565 11.4209 35.1566 110.778 -27.9846 11.4209 -27.9846 -50.0226 GPRESSAVG: 2356000 -23.0042 33.5283 12.0099 34.146 110.377 -27.9194 9.83288 -27.4873 -51.2298 TIMING: 2356000 CPU: 7032.17, 0.00296339/step Wall: 7032.17, 0.00296339/step, 2.17644 hours remaining, 206.953125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2356000 765.0284 2019.3538 1955.3518 118.2502 -207077.2094 18476.2354 0.0000 0.0000 34150.3004 -149592.6894 298.2431 -183742.9898 -149498.5247 298.0033 274.5197 306.5363 556691.5725 11.9747 12.0477 PRESSURE: 2356200 -93.2521 -118.043 -207.807 -118.043 -35.2098 18.9661 -207.808 18.9669 86.4057 GPRESSURE: 2356200 -64.6755 -59.563 -182.599 -148.815 33.0235 -110.708 -219.034 104.209 88.6598 PRESSAVG: 2356200 3.76887 -1.93652 -8.39527 -1.93649 -3.53993 -7.64974 -8.3953 -7.64968 39.7583 GPRESSAVG: 2356200 2.92239 -0.149626 -8.14415 -1.60925 -2.90276 -7.51698 -7.1003 -8.24524 39.7591 TIMING: 2356200 CPU: 7032.76, 0.00296198/step Wall: 7032.76, 0.00296198/step, 2.17525 hours remaining, 206.953125 MB of memory in use. ENERGY: 2356200 759.0248 2019.0596 1905.1102 105.5567 -206422.2242 17796.0631 0.0000 0.0000 34348.2760 -149489.1339 299.9720 -183837.4099 -149395.6120 298.1832 -14.0187 19.0026 556404.7890 13.3291 13.2596 LDB: ============= START OF LOAD BALANCING ============== 7036.31 LDB: ============== END OF LOAD BALANCING =============== 7036.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7036.31 LDB: ============= START OF LOAD BALANCING ============== 7036.6 LDB: Largest compute 4773 load 0.028913 is 24.5% of average load 0.118236 LDB: Average compute 0.001729 is 1.5% of average load 0.118236 LDB: TIME 7036.61 LOAD: AVG 0.118236 MAX 0.202125 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.035 MB LDB: TIME 7036.61 LOAD: AVG 0.118236 MAX 0.202125 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: TIME 7036.61 LOAD: AVG 0.118236 MAX 0.202125 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7036.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7036.61 PRESSURE: 2356400 119.331 118.77 22.1127 118.771 -118.601 -92.7965 22.1133 -92.7974 67.5768 GPRESSURE: 2356400 154.209 76.894 7.27066 115.762 -29.4081 -28.141 93.2696 -163.242 43.1616 PRESSAVG: 2356400 -16.5679 6.99065 -22.8626 6.99074 -16.1182 -74.8161 -22.8626 -74.8161 56.0459 GPRESSAVG: 2356400 -16.6921 6.85304 -21.7649 6.11611 -16.396 -75.8179 -22.4666 -73.4846 56.7772 TIMING: 2356400 CPU: 7033.36, 0.00302782/step Wall: 7033.36, 0.00302782/step, 2.22343 hours remaining, 208.250000 MB of memory in use. ENERGY: 2356400 735.1435 2043.0413 1934.3696 112.4763 -206356.5376 17863.0943 0.0000 0.0000 33961.8547 -149706.5580 296.5973 -183668.4127 -149612.1309 298.2390 22.7688 55.9874 557187.5150 7.7866 7.8964 PRESSURE: 2356600 251.93 -97.7277 6.72905 -97.7283 4.88671 -63.7949 6.72802 -63.7959 31.253 GPRESSURE: 2356600 238.524 -107.112 103.126 -75.3282 84.0685 -119.835 -33.2829 14.5321 56.9257 PRESSAVG: 2356600 46.3687 -14.7347 43.7372 -14.7346 -28.5466 17.0231 43.7373 17.023 -11.5336 GPRESSAVG: 2356600 44.6691 -16.0986 43.6505 -13.6289 -27.5635 18.0508 42.7783 14.7594 -11.189 TIMING: 2356600 CPU: 7033.96, 0.00296326/step Wall: 7033.96, 0.00296326/step, 2.17585 hours remaining, 208.507812 MB of memory in use. ENERGY: 2356600 744.4407 2060.8737 1951.0168 118.1712 -206831.5966 18196.8097 0.0000 0.0000 34173.9045 -149586.3801 298.4492 -183760.2845 -149491.8826 298.0156 96.0232 126.5059 558302.7791 2.0962 1.9722 PRESSURE: 2356800 273.86 55.9413 75.1278 55.9414 272.207 -217.425 75.129 -217.427 -31.0688 GPRESSURE: 2356800 378.657 -1.75615 128.524 90.5898 194.804 -198.499 91.5106 -217.855 34.3391 PRESSAVG: 2356800 3.19809 -37.1456 -17.9997 -37.1456 20.0289 -42.0108 -17.9997 -42.0107 -43.219 GPRESSAVG: 2356800 4.82074 -38.1094 -17.8016 -38.4169 19.0319 -44.0808 -16.9737 -39.3742 -43.9082 TIMING: 2356800 CPU: 7034.55, 0.00296797/step Wall: 7034.55, 0.00296797/step, 2.17915 hours remaining, 208.566406 MB of memory in use. ENERGY: 2356800 769.4745 2070.1189 1914.3075 115.1262 -206910.5655 18201.9000 0.0000 0.0000 34296.7187 -149542.9197 299.5218 -183839.6384 -149454.7251 298.2423 171.6659 202.5999 557015.4417 -6.6640 -6.6852 PRESSURE: 2357000 26.0327 -44.025 17.9784 -44.0247 52.421 -50.6761 17.9797 -50.6746 36.3541 GPRESSURE: 2357000 82.1006 -23.7764 27.7718 -37.8005 95.8129 -109.86 21.37 22.6555 27.9166 PRESSAVG: 2357000 54.4008 -37.2323 -45.0199 -37.2323 -0.9654 -41.3769 -45.02 -41.3769 -32.6879 GPRESSAVG: 2357000 54.3702 -35.3853 -46.5007 -36.0156 -1.9051 -41.2429 -44.9709 -41.4339 -32.28 TIMING: 2357000 CPU: 7035.15, 0.00298186/step Wall: 7035.15, 0.00298186/step, 2.18918 hours remaining, 208.617188 MB of memory in use. ENERGY: 2357000 764.2181 2107.4958 1926.4438 122.8840 -206853.4018 18087.6635 0.0000 0.0000 34315.3513 -149529.3453 299.6845 -183844.6966 -149436.3342 298.9080 38.2693 68.6100 556933.4503 6.9158 6.7284 PRESSURE: 2357200 -146.558 -131.073 21.2831 -131.071 -23.8396 109.761 21.2822 109.761 9.4951 GPRESSURE: 2357200 -118.925 -118.846 96.5127 -82.3032 -32.9275 94.4802 78.9411 139.941 85.266 PRESSAVG: 2357200 -20.9651 8.44381 -42.7679 8.44377 15.4759 -27.2923 -42.7678 -27.2922 -6.98478 GPRESSAVG: 2357200 -20.9668 7.17771 -41.7181 9.65557 14.2246 -25.8769 -44.5955 -29.8328 -6.79883 TIMING: 2357200 CPU: 7035.74, 0.00297216/step Wall: 7035.74, 0.00297216/step, 2.18189 hours remaining, 208.617188 MB of memory in use. ENERGY: 2357200 759.2571 2059.5782 1922.5282 106.7439 -206479.8784 17889.0345 0.0000 0.0000 34264.8838 -149477.8529 299.2438 -183742.7366 -149379.7837 298.8454 -53.6342 -22.1953 557893.7341 -4.1580 -4.5137 PRESSURE: 2357400 -89.3213 58.6769 138.351 58.6772 -275.058 -14.7181 138.351 -14.719 -252.168 GPRESSURE: 2357400 -14.1703 4.96095 158.12 -4.50187 -202.735 -6.29369 146.977 -31.4173 -297.414 PRESSAVG: 2357400 13.0198 -1.01942 6.63674 -1.01949 -1.69233 -15.4013 6.63677 -15.4013 -37.2096 GPRESSAVG: 2357400 13.2715 0.280928 7.0602 -1.85517 -1.22069 -16.0687 7.98865 -14.0955 -37.9569 TIMING: 2357400 CPU: 7036.34, 0.00297264/step Wall: 7036.34, 0.00297264/step, 2.18208 hours remaining, 208.617188 MB of memory in use. ENERGY: 2357400 731.1305 2059.6250 1916.7694 111.3585 -206242.2605 17613.4835 0.0000 0.0000 34337.1983 -149472.6954 299.8753 -183809.8937 -149367.3529 298.7254 -205.5158 -171.4397 559543.0096 -8.6274 -8.6354 PRESSURE: 2357600 13.6844 -51.008 -19.383 -51.0093 -9.87564 -45.0359 -19.3832 -45.0356 -171.76 GPRESSURE: 2357600 97.3563 -83.2823 1.91439 -87.5451 13.6483 51.0014 -30.9779 -133.926 -182.625 PRESSAVG: 2357600 39.294 -8.67843 51.2368 -8.67837 13.0086 69.1041 51.2368 69.1042 -21.8536 GPRESSAVG: 2357600 39.0508 -11.5107 51.0254 -8.9976 11.9787 70.7051 51.1081 67.4712 -20.8305 TIMING: 2357600 CPU: 7036.92, 0.00292992/step Wall: 7036.92, 0.00292992/step, 2.15056 hours remaining, 208.617188 MB of memory in use. ENERGY: 2357600 731.0345 2079.7932 1931.9726 115.2313 -206262.3421 17675.6227 0.0000 0.0000 34150.0687 -149578.6191 298.2410 -183728.6878 -149481.7060 299.2174 -55.9837 -23.8733 555546.4573 10.1497 10.0663 PRESSURE: 2357800 -13.5491 -96.9999 -49.0295 -97.0021 -2.16514 173.584 -49.0293 173.586 -45.6123 GPRESSURE: 2357800 22.6654 -114.203 -24.3565 -74.5179 18.3027 171.362 -26.5611 156.161 -4.11836 PRESSAVG: 2357800 -1.95386 -15.1798 15.6268 -15.1799 32.0028 31.4967 15.6269 31.4967 -5.38638 GPRESSAVG: 2357800 -2.77067 -13.0426 14.7486 -15.4891 34.2054 30.6469 17.3846 33.4577 -6.30754 TIMING: 2357800 CPU: 7037.51, 0.00294879/step Wall: 7037.51, 0.00294879/step, 2.16425 hours remaining, 208.617188 MB of memory in use. ENERGY: 2357800 756.6881 2080.2088 1914.5739 108.5482 -206462.6754 17801.7006 0.0000 0.0000 34291.6427 -149509.3131 299.4774 -183800.9558 -149406.1412 298.1177 -20.4422 12.2832 555730.1414 8.2208 8.3757 PRESSURE: 2358000 -84.4889 139.325 110.594 139.327 -55.9464 73.6204 110.595 73.6211 41.4676 GPRESSURE: 2358000 0.552266 12.8178 169.825 151.693 -59.4996 52.0292 36.6757 92.8671 45.3619 PRESSAVG: 2358000 -27.4331 2.15838 -13.5856 2.1584 30.1977 28.835 -13.5857 28.8349 -3.4127 GPRESSAVG: 2358000 -27.3327 1.94462 -11.5801 3.14977 30.4465 29.4281 -16.7188 27.1998 -3.88041 TIMING: 2358000 CPU: 7038.1, 0.00296771/step Wall: 7038.1, 0.00296771/step, 2.17797 hours remaining, 208.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2358000 761.5096 2148.6941 1943.5211 106.2109 -206136.0584 17842.0439 0.0000 0.0000 33875.0325 -149459.0463 295.8391 -183334.0788 -149364.9603 298.5568 -32.9892 -4.5285 558241.1112 -0.2160 -0.2556 PRESSURE: 2358200 130.165 -29.157 -99.2122 -29.1573 57.6691 -221.902 -99.2127 -221.9 39.472 GPRESSURE: 2358200 179.824 32.0906 -87.4809 -70.427 108.404 -286.586 -120.499 -158.493 43.6407 PRESSAVG: 2358200 -32.0184 -9.23035 -35.9476 -9.23032 23.1874 36.9889 -35.9475 36.9889 6.16128 GPRESSAVG: 2358200 -32.5929 -9.21108 -37.034 -9.7477 23.806 35.2402 -35.8102 38.4619 6.586 TIMING: 2358200 CPU: 7038.7, 0.00295335/step Wall: 7038.7, 0.00295335/step, 2.16726 hours remaining, 208.617188 MB of memory in use. ENERGY: 2358200 760.4427 2077.4074 1934.0618 117.7150 -206399.5048 17954.6234 0.0000 0.0000 34079.2824 -149475.9722 297.6228 -183555.2545 -149383.1677 298.3761 75.7688 110.6229 556350.7274 -0.8899 -0.7336 PRESSURE: 2358400 -15.3402 -87.7681 -165.596 -87.7687 -200.067 61.9643 -165.595 61.9633 -135.924 GPRESSURE: 2358400 -9.84416 -116.195 -125.515 -56.4515 -156.981 93.8252 -128.877 -5.49937 -90.9971 PRESSAVG: 2358400 46.3743 -5.79902 -12.7859 -5.79893 -9.15546 33.4147 -12.7859 33.4147 3.9774 GPRESSAVG: 2358400 46.8753 -4.43055 -11.963 -7.11779 -9.58876 34.6232 -12.469 32.2853 3.88778 TIMING: 2358400 CPU: 7039.29, 0.00295618/step Wall: 7039.29, 0.00295618/step, 2.16918 hours remaining, 208.617188 MB of memory in use. ENERGY: 2358400 732.6410 2120.1397 1958.7268 100.3755 -206474.0410 17777.4976 0.0000 0.0000 34316.1705 -149468.4899 299.6917 -183784.6604 -149373.9579 299.1568 -117.1106 -85.9408 556826.7439 13.7321 13.7248 PRESSURE: 2358600 -476.954 61.2081 83.4216 61.2083 -159.366 55.5369 83.4222 55.5373 -166.624 GPRESSURE: 2358600 -465.098 43.2362 102.534 28.6355 -106.338 76.2927 90.4922 -8.23686 -130.268 PRESSAVG: 2358600 -72.6513 39.5725 -40.908 39.5724 -37.0685 70.7955 -40.9079 70.7955 76.2412 GPRESSAVG: 2358600 -72.269 38.1942 -41.5465 41.4364 -37.3524 69.4265 -41.1412 71.6619 76.3151 TIMING: 2358600 CPU: 7039.88, 0.00297648/step Wall: 7039.88, 0.00297648/step, 2.18391 hours remaining, 208.617188 MB of memory in use. ENERGY: 2358600 738.3732 2063.3773 1940.1281 112.0103 -206078.6931 17480.8875 0.0000 0.0000 34298.6745 -149445.2420 299.5389 -183743.9166 -149348.3969 298.8742 -267.6482 -233.9015 556783.7826 -11.1595 -11.1021 PRESSURE: 2358800 -121.101 38.5553 -112.178 38.5547 6.57891 -3.20134 -112.178 -3.20083 185.25 GPRESSURE: 2358800 -26.1754 76.4349 -109.855 99.1739 -29.185 20.8792 -201.831 -24.2946 229.074 PRESSAVG: 2358800 5.96097 -11.5135 12.3296 -11.5135 -5.66402 67.9673 12.3296 67.9673 -4.68177 GPRESSAVG: 2358800 6.12881 -12.4791 12.837 -11.2324 -6.04914 69.7127 11.3175 66.2781 -4.36731 TIMING: 2358800 CPU: 7040.47, 0.00296374/step Wall: 7040.47, 0.00296374/step, 2.1744 hours remaining, 208.617188 MB of memory in use. ENERGY: 2358800 745.9152 2075.7793 1918.2342 116.2910 -206548.8511 17940.7436 0.0000 0.0000 34165.0423 -149586.8456 298.3718 -183751.8879 -149484.1062 298.0423 23.5759 57.9045 556026.4297 -1.4616 -1.4292 PRESSURE: 2359000 -200.373 66.2789 147.283 66.2795 -63.4881 -65.8062 147.283 -65.8069 -93.7308 GPRESSURE: 2359000 -139.336 85.9682 79.7866 57.8197 -39.5127 16.3163 121.767 -69.3514 -91.9253 PRESSAVG: 2359000 -52.1172 10.9405 -30.1853 10.9405 63.7267 31.392 -30.1853 31.3919 -9.37353 GPRESSAVG: 2359000 -53.3854 13.6834 -30.126 9.08569 64.7246 32.7675 -30.1167 32.5875 -8.73728 TIMING: 2359000 CPU: 7041.07, 0.00296481/step Wall: 7041.07, 0.00296481/step, 2.17502 hours remaining, 208.617188 MB of memory in use. ENERGY: 2359000 761.5766 2100.6162 1927.1265 111.4316 -206181.8456 17794.0695 0.0000 0.0000 33938.1572 -149548.8680 296.3904 -183487.0252 -149449.8899 298.0985 -119.1973 -90.2580 558177.1167 0.7453 0.8673 PRESSURE: 2359200 -54.3833 38.8927 23.5273 38.8933 52.0279 4.9289 23.5268 4.92739 32.2856 GPRESSURE: 2359200 -55.2659 12.5025 23.2472 41.5741 110.961 -6.28581 73.8053 -75.7352 64.2479 PRESSAVG: 2359200 26.5372 0.735029 10.702 0.734966 32.0042 27.3077 10.7019 27.3076 -16.8264 GPRESSAVG: 2359200 28.1354 -0.436093 10.76 -0.0730314 31.7628 25.675 10.0467 25.6044 -18.2604 TIMING: 2359200 CPU: 7041.66, 0.00294982/step Wall: 7041.66, 0.00294982/step, 2.16386 hours remaining, 208.617188 MB of memory in use. ENERGY: 2359200 719.4765 2074.8458 1908.5570 115.0251 -206291.6455 17726.6729 0.0000 0.0000 34095.4598 -149651.6084 297.7641 -183747.0682 -149556.6527 297.7758 9.9767 39.9809 558224.4336 13.9050 13.8793 PRESSURE: 2359400 -251.609 42.8928 -177.028 42.8931 178.055 -38.6653 -177.027 -38.6659 -71.7561 GPRESSURE: 2359400 -199.407 -48.7296 -260.38 58.861 177.455 -22.3169 -143.882 -89.3185 -29.1251 PRESSAVG: 2359400 -18.4389 -13.5154 -66.646 -13.5154 50.6495 -17.0752 -66.646 -17.0752 3.32957 GPRESSAVG: 2359400 -19.2901 -14.9292 -67.5054 -10.8495 50.2802 -17.5521 -65.9511 -14.724 4.50806 TIMING: 2359400 CPU: 7042.25, 0.00294454/step Wall: 7042.25, 0.00294454/step, 2.15982 hours remaining, 208.617188 MB of memory in use. ENERGY: 2359400 747.9624 2041.8627 1940.5725 103.4174 -206265.0272 17836.8774 0.0000 0.0000 33994.9702 -149599.3646 296.8865 -183594.3348 -149500.0115 297.7987 -48.4367 -17.0260 558210.4514 11.8467 11.8327 PRESSURE: 2359600 92.5077 -44.394 145.809 -44.3937 -114.934 10.9163 145.809 10.9164 36.3355 GPRESSURE: 2359600 133.738 -75.1508 103.905 64.3037 -106.024 -13.4122 194.766 57.9872 75.1615 PRESSAVG: 2359600 -11.4045 -33.2441 14.5289 -33.2442 46.3354 -31.0173 14.5289 -31.0173 0.993163 GPRESSAVG: 2359600 -10.4848 -33.2153 16.4302 -32.2932 46.1831 -30.4477 14.4593 -30.34 0.0631082 TIMING: 2359600 CPU: 7042.84, 0.00298506/step Wall: 7042.84, 0.00298506/step, 2.18938 hours remaining, 208.617188 MB of memory in use. ENERGY: 2359600 694.3642 2063.8722 1915.1021 101.1363 -206327.6613 17884.4884 0.0000 0.0000 34146.9158 -149521.7823 298.2135 -183668.6981 -149423.1352 297.4200 4.6366 34.2919 557917.0553 11.9747 11.9204 PRESSURE: 2359800 137.995 -59.0041 48.252 -59.0048 232.364 -17.661 48.2531 -17.6602 57.051 GPRESSURE: 2359800 121.943 0.738864 24.8177 -69.3179 284.513 -43.4409 33.7747 63.1441 113.038 PRESSAVG: 2359800 -21.8199 -14.0066 -39.7608 -14.0066 27.1318 9.06413 -39.7608 9.06422 -15.8625 GPRESSAVG: 2359800 -22.8975 -12.8044 -40.5307 -16.0834 28.1066 7.66173 -40.4938 9.56878 -15.7575 TIMING: 2359800 CPU: 7043.44, 0.0029812/step Wall: 7043.44, 0.0029812/step, 2.18638 hours remaining, 208.617188 MB of memory in use. ENERGY: 2359800 722.9431 2056.7145 1906.4217 118.4221 -206497.3978 17931.4317 0.0000 0.0000 34265.5603 -149495.9044 299.2497 -183761.4648 -149400.4963 298.2734 142.4699 173.1649 556991.9874 -3.5169 -3.5161 PRESSURE: 2360000 191.866 -131.894 -19.2315 -131.895 -210.931 42.455 -19.2317 42.4545 -263.183 GPRESSURE: 2360000 247.6 -173.492 -99.4814 -70.0746 -201.554 112.361 -5.19297 -8.33219 -233.976 PRESSAVG: 2360000 12.0519 -39.9185 -30.5491 -39.9185 75.0564 -6.80746 -30.549 -6.80751 -60.4516 GPRESSAVG: 2360000 12.9854 -41.3714 -32.3474 -38.9681 74.3164 -5.18104 -27.9623 -8.75946 -60.4126 TIMING: 2360000 CPU: 7044.04, 0.00299059/step Wall: 7044.04, 0.00299059/step, 2.1931 hours remaining, 208.617188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2360000 757.7712 2064.3715 1944.7959 102.7303 -206025.4786 17558.1613 0.0000 0.0000 34245.8620 -149351.7865 299.0776 -183597.6485 -149255.1238 298.4126 -94.0826 -62.6433 558025.5460 8.8856 8.9631 PRESSURE: 2360200 -55.8682 230.597 -3.63723 230.598 -136.43 24.4982 -3.6363 24.4985 177.539 GPRESSURE: 2360200 27.9579 130.468 -27.4293 278.946 -91.014 8.81698 -8.53204 59.6625 144.67 PRESSAVG: 2360200 28.9096 -23.8781 -15.4364 -23.8781 8.7179 18.1866 -15.4363 18.1866 -17.7112 GPRESSAVG: 2360200 28.4921 -22.0603 -15.1205 -24.8077 8.70319 17.9137 -15.7534 19.1134 -17.0725 TIMING: 2360200 CPU: 7044.63, 0.00296321/step Wall: 7044.63, 0.00296321/step, 2.17286 hours remaining, 208.617188 MB of memory in use. ENERGY: 2360200 746.4125 2112.2694 1941.7990 111.2478 -206358.7959 17949.1164 0.0000 0.0000 34207.6804 -149290.2704 298.7442 -183497.9508 -149188.7385 299.4087 -4.9199 27.2046 558295.2642 6.6388 6.7076 LDB: ============= START OF LOAD BALANCING ============== 7048.18 LDB: ============== END OF LOAD BALANCING =============== 7048.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7048.18 LDB: ============= START OF LOAD BALANCING ============== 7048.47 LDB: Largest compute 4773 load 0.028278 is 23.9% of average load 0.118246 LDB: Average compute 0.001729 is 1.5% of average load 0.118246 LDB: TIME 7048.47 LOAD: AVG 0.118246 MAX 0.197092 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 7048.47 LOAD: AVG 0.118246 MAX 0.197092 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 7048.47 LOAD: AVG 0.118246 MAX 0.197092 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 7048.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7048.48 PRESSURE: 2360400 58.8351 -107.082 -41.9185 -107.082 160.178 28.8556 -41.9188 28.8545 222.217 GPRESSURE: 2360400 52.3376 -133.12 -135.538 -121.301 208.668 16.4998 -1.24738 55.4676 272.056 PRESSAVG: 2360400 -5.41662 -24.1682 -0.321788 -24.1683 -52.6634 -26.5585 -0.32183 -26.5585 42.6227 GPRESSAVG: 2360400 -4.93377 -26.3194 0.850309 -23.5911 -52.8562 -25.6303 0.0390236 -26.8725 42.583 TIMING: 2360400 CPU: 7045.23, 0.00299556/step Wall: 7045.23, 0.00299556/step, 2.19641 hours remaining, 208.507812 MB of memory in use. ENERGY: 2360400 758.9783 2143.2000 1930.3506 119.1883 -206641.6682 18100.0370 0.0000 0.0000 34341.1111 -149248.8027 299.9095 -183589.9138 -149154.5245 299.3618 147.0768 177.6871 556877.7309 -5.1524 -5.0690 PRESSURE: 2360600 178.387 -106.033 98.7675 -106.033 285.633 -1.26675 98.7669 -1.26682 167.087 GPRESSURE: 2360600 193.309 -167.041 65.1888 -155.615 338.224 13.2514 206.704 -100.987 197.898 PRESSAVG: 2360600 62.1905 -33.6737 22.5032 -33.6737 -83.0596 34.7451 22.5033 34.7452 2.39539 GPRESSAVG: 2360600 62.416 -32.7545 22.4593 -33.7901 -82.9732 35.6953 21.1993 32.6805 1.98136 TIMING: 2360600 CPU: 7045.82, 0.00293299/step Wall: 7045.82, 0.00293299/step, 2.15037 hours remaining, 208.707031 MB of memory in use. ENERGY: 2360600 670.2928 2047.1383 1969.0598 120.0047 -206142.4475 17836.3751 0.0000 0.0000 34107.9881 -149391.5887 297.8735 -183499.5767 -149297.6979 299.1754 210.3690 243.1434 556833.4053 -6.1579 -6.1919 PRESSURE: 2360800 -285.704 -114.677 -14.2018 -114.677 300.504 -34.0916 -14.2025 -34.0922 116.133 GPRESSURE: 2360800 -237.768 -48.1975 -54.8685 -147.648 356.008 -16.1524 9.12852 70.6188 107.285 PRESSAVG: 2360800 -49.8653 31.813 5.93517 31.813 61.2486 -55.8357 5.93527 -55.8358 2.23139 GPRESSAVG: 2360800 -49.3872 33.6844 4.74 30.8751 60.5994 -59.1058 7.57787 -52.9189 2.33705 TIMING: 2360800 CPU: 7046.4, 0.00294081/step Wall: 7046.4, 0.00294081/step, 2.15594 hours remaining, 208.707031 MB of memory in use. ENERGY: 2360800 721.9283 2090.3275 1971.2400 116.6246 -206677.7717 17873.0952 0.0000 0.0000 34374.8505 -149529.7056 300.2041 -183904.5561 -149427.8510 298.1819 43.6444 75.1751 556461.8844 4.5382 4.5164 PRESSURE: 2361000 2.94268 66.2094 121.003 66.2097 32.9441 72.2539 121.004 72.256 18.1165 GPRESSURE: 2361000 100.071 123.115 56.3346 -11.3015 28.2943 29.8665 63.0473 107.742 16.7666 PRESSAVG: 2361000 -25.9632 -20.7967 18.684 -20.7967 67.7193 24.4294 18.684 24.4295 -24.134 GPRESSAVG: 2361000 -27.3535 -22.44 18.2954 -18.4866 68.7891 26.6178 16.8084 22.0595 -24.2378 TIMING: 2361000 CPU: 7046.99, 0.0029504/step Wall: 7046.99, 0.0029504/step, 2.1628 hours remaining, 208.707031 MB of memory in use. ENERGY: 2361000 726.8507 2088.3440 1897.0552 125.3301 -206373.7338 17872.3242 0.0000 0.0000 34365.0627 -149298.7668 300.1186 -183663.8296 -149189.2236 299.7535 18.0011 48.3773 556991.1581 5.8740 5.7326 PRESSURE: 2361200 -265.422 23.2366 -78.3112 23.2374 -71.6303 6.25324 -78.3107 6.25188 -272.891 GPRESSURE: 2361200 -282.547 47.2542 -8.86596 -31.7591 15.8618 18.1347 -59.5525 53.7682 -238.054 PRESSAVG: 2361200 -12.2518 19.2402 -6.56623 19.2402 52.5336 -0.499654 -6.5662 -0.499648 -63.8571 GPRESSAVG: 2361200 -12.2685 20.0948 -4.41483 18.6865 53.0621 0.362441 -5.99195 0.309739 -64.0207 TIMING: 2361200 CPU: 7047.59, 0.00296432/step Wall: 7047.59, 0.00296433/step, 2.17285 hours remaining, 208.707031 MB of memory in use. ENERGY: 2361200 729.7137 2110.1348 1931.0638 113.1835 -206255.6059 17700.8776 0.0000 0.0000 34371.4052 -149299.2272 300.1740 -183670.6324 -149203.7318 299.4075 -203.3143 -168.2463 558407.8464 -7.8584 -7.7423 PRESSURE: 2361400 -52.3569 76.3893 76.2969 76.3892 40.9996 -69.5553 76.2974 -69.5555 135.287 GPRESSURE: 2361400 13.3448 16.6755 123.641 135.223 5.93765 -60.7087 27.9826 -83.2341 195.729 PRESSAVG: 2361400 -20.8651 6.94592 -13.1359 6.94592 26.088 -31.0273 -13.136 -31.0272 13.6501 GPRESSAVG: 2361400 -20.3263 4.2304 -11.1194 5.49216 24.7554 -32.8691 -16.0744 -29.5786 14.0656 TIMING: 2361400 CPU: 7048.18, 0.0029537/step Wall: 7048.18, 0.0029537/step, 2.1649 hours remaining, 208.707031 MB of memory in use. ENERGY: 2361400 772.2697 2131.1336 1939.2345 111.0508 -206428.0413 18001.1835 0.0000 0.0000 34366.2143 -149106.9549 300.1287 -183473.1692 -149010.8630 299.4768 41.3099 71.6706 557151.5577 6.2910 6.1649 PRESSURE: 2361600 -243.327 37.7415 14.3526 37.7402 86.3785 -65.2192 14.3519 -65.2208 -64.264 GPRESSURE: 2361600 -180.339 25.5685 75.9923 36.4544 87.0805 -86.794 36.0526 -24.0924 -20.9689 PRESSAVG: 2361600 16.4559 -2.27214 -19.7112 -2.27219 -28.2095 -18.7103 -19.7112 -18.7102 8.11384 GPRESSAVG: 2361600 14.9152 -1.81483 -20.5692 -2.21286 -27.2283 -17.7578 -14.9719 -18.7641 8.05703 TIMING: 2361600 CPU: 7048.77, 0.00298434/step Wall: 7048.77, 0.00298434/step, 2.18719 hours remaining, 208.707031 MB of memory in use. ENERGY: 2361600 744.3473 2099.2373 1944.8003 108.9949 -205954.8833 17714.8278 0.0000 0.0000 34357.6768 -148984.9989 300.0541 -183342.6757 -148897.6798 299.1331 -73.7373 -38.0759 556868.3885 -1.2133 -1.4187 PRESSURE: 2361800 -143.137 -66.4569 91.5978 -66.457 -136.974 43.0875 91.5973 43.088 -56.7477 GPRESSURE: 2361800 -107.477 -87.614 78.8639 -13.5086 -80.8257 5.69377 59.8933 152.593 -47.3549 PRESSAVG: 2361800 -54.6772 -37.2009 -4.27886 -37.2009 94.7418 17.4136 -4.27891 17.4136 2.44239 GPRESSAVG: 2361800 -54.6117 -36.3892 -5.60353 -36.278 93.971 17.3127 -7.51904 16.5107 2.44121 TIMING: 2361800 CPU: 7049.37, 0.00297317/step Wall: 7049.37, 0.00297317/step, 2.17884 hours remaining, 208.707031 MB of memory in use. ENERGY: 2361800 774.7168 2116.7028 1914.0049 105.8809 -205747.1640 17621.3351 0.0000 0.0000 34308.5933 -148905.9303 299.6255 -183214.5236 -148806.4663 299.6417 -112.2865 -78.5525 557544.0222 14.1690 13.9335 PRESSURE: 2362000 -414.658 -57.3328 -87.4341 -57.3338 -132.546 -87.5082 -87.4359 -87.508 -60.0273 GPRESSURE: 2362000 -338.518 -93.1232 -119.651 -8.68604 -95.5918 -10.7786 -121.859 -90.0843 -75.9063 PRESSAVG: 2362000 -16.7586 -36.2792 -25.8717 -36.2793 -2.03003 -4.60948 -25.8717 -4.6095 9.40491 GPRESSAVG: 2362000 -15.985 -36.4498 -26.0301 -37.7298 -2.25652 -4.64895 -24.1772 -4.53464 8.76355 TIMING: 2362000 CPU: 7049.96, 0.00295154/step Wall: 7049.96, 0.00295154/step, 2.16282 hours remaining, 208.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2362000 769.7535 2089.4170 1929.5375 126.5988 -205598.9795 17637.3553 0.0000 0.0000 34161.7486 -148884.5687 298.3430 -183046.3173 -148784.2313 300.0268 -202.4104 -170.0055 559750.4567 -3.1279 -3.1593 PRESSURE: 2362200 6.93653 155.377 -118.725 155.378 -16.8965 -111.813 -118.724 -111.814 231.309 GPRESSURE: 2362200 19.3569 126.281 -52.1789 189.726 -7.24436 -95.992 -149.755 -91.8618 314.079 PRESSAVG: 2362200 -6.51026 19.026 2.83905 19.026 -7.80356 5.91175 2.83903 5.91165 15.0437 GPRESSAVG: 2362200 -7.04238 18.1412 3.65195 22.4646 -8.71448 4.4227 1.66233 7.76353 16.5653 TIMING: 2362200 CPU: 7050.55, 0.00297168/step Wall: 7050.55, 0.00297169/step, 2.17742 hours remaining, 208.707031 MB of memory in use. ENERGY: 2362200 721.3268 2144.0923 1915.0049 116.9111 -206404.1523 17938.3821 0.0000 0.0000 34434.6159 -149133.8192 300.7261 -183568.4351 -149033.1626 299.5027 73.7831 108.7304 559238.6747 0.2433 0.2695 PRESSURE: 2362400 228.987 85.7951 -155.86 85.7948 -69.9444 152.174 -155.861 152.174 -87.3881 GPRESSURE: 2362400 243.92 35.6891 -194.593 83.1513 -17.3302 133.952 -143.069 180.713 -51.0655 PRESSAVG: 2362400 -9.90423 14.6624 12.7617 14.6623 -45.6688 15.7449 12.7616 15.7451 40.3884 GPRESSAVG: 2362400 -10.231 19.1212 13.0077 10.8975 -43.6646 15.8849 10.9527 15.6651 38.476 TIMING: 2362400 CPU: 7051.15, 0.00297286/step Wall: 7051.15, 0.00297286/step, 2.17811 hours remaining, 208.707031 MB of memory in use. ENERGY: 2362400 700.5242 2116.7239 1940.4791 111.5480 -206066.9609 17738.3133 0.0000 0.0000 34231.2246 -149228.1479 298.9498 -183459.3724 -149131.5088 299.5196 23.8850 58.5082 557396.7630 -5.0616 -5.1399 PRESSURE: 2362600 174.801 -15.7781 -104.133 -15.7776 325.923 128.446 -104.132 128.447 73.2342 GPRESSURE: 2362600 205.661 -63.8225 -57.4048 -11.036 273.455 60.9784 -73.1878 81.7025 182.027 PRESSAVG: 2362600 18.632 18.9546 -19.4301 18.9545 22.8144 40.9273 -19.43 40.9273 13.095 GPRESSAVG: 2362600 18.8705 16.1832 -18.9051 18.998 21.0321 42.3206 -18.0015 38.2164 14.3384 TIMING: 2362600 CPU: 7051.74, 0.00296117/step Wall: 7051.74, 0.00296117/step, 2.16939 hours remaining, 208.707031 MB of memory in use. ENERGY: 2362600 747.2945 2091.5257 1920.8901 111.7466 -206236.8843 17962.1617 0.0000 0.0000 34273.3895 -149129.8761 299.3180 -183403.2656 -149040.9563 299.2009 191.3191 220.3808 557026.3570 18.1805 18.0803 PRESSURE: 2362800 44.4717 9.06657 88.9983 9.06625 -149.042 -125.034 88.9969 -125.034 -133.618 GPRESSURE: 2362800 77.4325 57.545 12.9881 26.7981 -97.042 -146.565 102.559 -170.361 -122.167 PRESSAVG: 2362800 -53.2978 -39.6641 0.742999 -39.6641 62.9618 58.8395 0.743035 58.8396 -0.541804 GPRESSAVG: 2362800 -52.8703 -40.8669 0.612928 -37.4975 63.2832 57.6134 -0.495884 59.0215 -0.652556 TIMING: 2362800 CPU: 7052.34, 0.00298364/step Wall: 7052.34, 0.00298364/step, 2.18568 hours remaining, 208.707031 MB of memory in use. ENERGY: 2362800 702.9972 2084.3226 1955.2022 126.1120 -205441.7500 17378.5423 0.0000 0.0000 34147.4738 -149047.0999 298.2184 -183194.5737 -148951.8044 299.2567 -79.3960 -47.2589 558193.3858 3.0408 3.2534 PRESSURE: 2363000 4.04737 131.706 -101.772 131.706 11.2964 -110.233 -101.774 -110.235 136.603 GPRESSURE: 2363000 -20.1937 68.6321 -87.8207 223.444 63.014 -120.544 -118.216 -104.703 199.217 PRESSAVG: 2363000 18.8028 -25.4318 -9.0549 -25.4318 -20.5633 12.0601 -9.05491 12.0602 18.1515 GPRESSAVG: 2363000 18.6279 -22.2257 -8.79522 -27.0947 -20.7198 11.034 -8.5722 12.6159 18.6213 TIMING: 2363000 CPU: 7052.93, 0.00295689/step Wall: 7052.93, 0.00295689/step, 2.16592 hours remaining, 208.707031 MB of memory in use. ENERGY: 2363000 754.8944 2037.8861 1917.6288 116.4903 -206117.3473 17776.3579 0.0000 0.0000 34377.2449 -149136.8447 300.2250 -183514.0897 -149038.7232 300.1018 50.6489 80.6792 556281.5466 5.4637 5.5098 PRESSURE: 2363200 -61.3213 159.761 107.059 159.763 -113.429 83.8113 107.058 83.811 82.8217 GPRESSURE: 2363200 -23.839 139.179 160.178 117.543 -94.9996 188.365 131.41 82.6822 116.893 PRESSAVG: 2363200 -13.2679 12.4571 13.9431 12.4572 6.02561 12.8567 13.9431 12.8567 43.9404 GPRESSAVG: 2363200 -12.7343 12.1983 13.1245 11.5057 7.45505 14.5434 16.2482 12.769 41.8441 TIMING: 2363200 CPU: 7053.52, 0.00293609/step Wall: 7053.52, 0.00293609/step, 2.15052 hours remaining, 208.707031 MB of memory in use. ENERGY: 2363200 749.6503 2106.5429 1938.3440 116.6016 -205852.3873 17634.3723 0.0000 0.0000 34247.1379 -149059.7383 299.0888 -183306.8762 -148962.5553 299.8398 -30.6428 -0.6484 557509.8189 12.2327 12.1883 PRESSURE: 2363400 162.359 -149.664 69.0673 -149.663 0.34262 -74.7247 69.0677 -74.724 -174.617 GPRESSURE: 2363400 114.325 -7.72445 122.282 -259.339 41.6554 -100.865 35.3662 -46.2507 -77.0661 PRESSAVG: 2363400 -14.289 16.7375 33.1665 16.7376 -19.4808 -30.7973 33.1665 -30.7973 25.8069 GPRESSAVG: 2363400 -16.2754 14.0695 33.1227 19.0218 -20.1575 -31.1456 30.8804 -29.9705 28.3831 TIMING: 2363400 CPU: 7054.1, 0.00293049/step Wall: 7054.1, 0.00293049/step, 2.14626 hours remaining, 208.707031 MB of memory in use. ENERGY: 2363400 717.8355 2067.0701 1929.6739 114.9366 -206139.6336 17758.6729 0.0000 0.0000 34315.7187 -149235.7258 299.6877 -183551.4445 -149142.4010 299.6682 -3.9718 26.3047 556603.8732 -2.6543 -2.6832 PRESSURE: 2363600 42.7686 -5.1091 -55.5668 -5.10907 -39.8815 58.3888 -55.5679 58.3897 9.46487 GPRESSURE: 2363600 70.8567 -6.28685 -55.8746 -16.1796 8.51315 22.6142 -52.754 72.6285 26.2778 PRESSAVG: 2363600 13.4521 43.5043 -24.0669 43.5043 -48.9648 -19.6516 -24.067 -19.6514 29.4005 GPRESSAVG: 2363600 14.8779 44.2594 -22.6016 42.2347 -49.121 -20.8297 -23.0595 -18.3559 27.8024 TIMING: 2363600 CPU: 7054.69, 0.0029242/step Wall: 7054.69, 0.0029242/step, 2.14149 hours remaining, 208.707031 MB of memory in use. ENERGY: 2363600 743.5164 2023.1359 1901.2900 110.6834 -206359.5365 17932.0348 0.0000 0.0000 34324.6261 -149324.2498 299.7655 -183648.8759 -149231.8743 299.5827 4.1173 35.2159 557889.3954 -2.0374 -2.1469 PRESSURE: 2363800 245.859 0.331886 97.1227 0.33138 103.272 -47.5364 97.1227 -47.5373 211.026 GPRESSURE: 2363800 289.791 -18.8558 83.7687 -54.8317 148.285 -24.395 152.281 -136.219 217.137 PRESSAVG: 2363800 27.4121 -20.2143 -49.8543 -20.2144 -37.8742 -3.64591 -49.8543 -3.64594 -13.5536 GPRESSAVG: 2363800 26.7424 -18.9119 -50.4392 -19.689 -38.3433 -2.33498 -47.8675 -5.47399 -12.9973 TIMING: 2363800 CPU: 7055.28, 0.00294347/step Wall: 7055.28, 0.00294347/step, 2.15544 hours remaining, 208.707031 MB of memory in use. ENERGY: 2363800 727.7030 2062.5754 1935.3313 109.4643 -206522.3130 18038.4021 0.0000 0.0000 34352.7982 -149296.0387 300.0115 -183648.8369 -149196.3735 299.7880 186.7191 218.4045 557450.9131 -8.0052 -8.1994 PRESSURE: 2364000 40.2946 84.7261 23.3937 84.7266 -178.986 15.4839 23.3943 15.4838 100.728 GPRESSURE: 2364000 52.7299 135.949 45.7949 116.057 -125.031 -4.20512 -51.3644 6.41277 127.319 PRESSAVG: 2364000 19.0782 10.9225 -22.3621 10.9225 -25.3944 -29.8745 -22.3622 -29.8745 -19.5593 GPRESSAVG: 2364000 19.9658 8.59029 -23.2125 11.5648 -26.1512 -31.3743 -25.1999 -28.8124 -19.6364 TIMING: 2364000 CPU: 7055.87, 0.00295408/step Wall: 7055.87, 0.00295408/step, 2.16305 hours remaining, 208.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2364000 735.3072 2012.5194 1950.7745 115.4593 -206274.0133 17763.7859 0.0000 0.0000 34479.2711 -149216.8960 301.1161 -183696.1671 -149126.8986 299.9798 -12.6546 18.3395 557363.4336 -8.6252 -8.6073 PRESSURE: 2364200 -247.727 34.4389 4.04218 34.4393 -179.534 -107.12 4.04218 -107.12 -0.665131 GPRESSURE: 2364200 -174.415 74.6234 88.2744 -18.2763 -122.343 -67.5468 26.3785 -139.171 -39.1278 PRESSAVG: 2364200 -50.7907 43.2555 17.7777 43.2555 -1.90456 -7.93624 17.7778 -7.93607 39.9763 GPRESSAVG: 2364200 -51.1022 44.7615 20.8286 43.3937 -1.68214 -6.92709 15.5283 -10.5941 39.4202 TIMING: 2364200 CPU: 7056.46, 0.00295153/step Wall: 7056.46, 0.00295153/step, 2.16101 hours remaining, 208.707031 MB of memory in use. ENERGY: 2364200 745.4222 2067.6711 1917.2279 113.6640 -206032.5040 17563.8753 0.0000 0.0000 34332.1769 -149292.4666 299.8314 -183624.6435 -149190.8937 299.1233 -142.6419 -111.9620 557876.8625 -4.2397 -4.4547 LDB: ============= START OF LOAD BALANCING ============== 7060 LDB: ============== END OF LOAD BALANCING =============== 7060 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7060 LDB: ============= START OF LOAD BALANCING ============== 7060.3 LDB: Largest compute 4773 load 0.029946 is 25.3% of average load 0.118206 LDB: Average compute 0.001724 is 1.5% of average load 0.118206 LDB: TIME 7060.3 LOAD: AVG 0.118206 MAX 0.199552 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 7060.3 LOAD: AVG 0.118206 MAX 0.199552 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 7060.3 LOAD: AVG 0.118206 MAX 0.199552 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7060.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7060.31 PRESSURE: 2364400 -250.97 -34.92 118.216 -34.9201 -165.102 98.3962 118.217 98.3958 -14.5989 GPRESSURE: 2364400 -235.972 82.4896 4.83784 -107.207 -102.616 70.1377 156.14 64.6887 -1.67274 PRESSAVG: 2364400 3.18217 -20.4193 24.2456 -20.4192 14.9587 -13.7885 24.2456 -13.7885 -29.6007 GPRESSAVG: 2364400 1.51712 -20.8007 21.6131 -21.7063 16.3601 -14.524 27.3411 -12.1175 -29.7009 TIMING: 2364400 CPU: 7057.06, 0.00299471/step Wall: 7057.06, 0.00299472/step, 2.19246 hours remaining, 206.714844 MB of memory in use. ENERGY: 2364400 733.7200 2041.0747 1940.4193 110.9430 -206226.1937 17853.5530 0.0000 0.0000 34168.8483 -149377.6353 298.4051 -183546.4836 -149278.4261 298.9524 -143.5570 -113.4204 559316.9294 -3.8199 -3.9412 PRESSURE: 2364600 -135.387 -148.707 -133.349 -148.708 -139.309 -217.393 -133.349 -217.393 130.327 GPRESSURE: 2364600 -88.2332 -127.07 -112.521 -69.6064 -121.614 -260.225 -161.117 -209.749 168.989 PRESSAVG: 2364600 -59.1023 -63.4161 6.32688 -63.4159 18.3224 0.0191414 6.32697 0.019248 52.8597 GPRESSAVG: 2364600 -59.3142 -61.8999 6.7005 -62.1708 17.7657 0.129518 5.26241 1.73084 52.9267 TIMING: 2364600 CPU: 7057.65, 0.00296617/step Wall: 7057.65, 0.00296617/step, 2.1714 hours remaining, 206.714844 MB of memory in use. ENERGY: 2364600 743.5640 2089.3962 1917.6690 121.0998 -206559.0582 17980.3784 0.0000 0.0000 34254.0857 -149452.8652 299.1495 -183706.9509 -149355.2796 298.2716 -48.1230 -13.6193 558730.4250 4.0266 3.7927 PRESSURE: 2364800 -195.684 -67.2042 120.171 -67.2042 116.686 5.57957 120.17 5.581 -344.598 GPRESSURE: 2364800 -141.101 -119.681 108.014 -92.2588 140.852 8.40709 149.019 -16.9673 -337.94 PRESSAVG: 2364800 25.7338 -2.37167 36.7561 -2.3716 11.5682 -21.8317 36.7561 -21.8317 -37.7917 GPRESSAVG: 2364800 26.2408 -3.43999 37.2617 -1.96061 10.5286 -21.4553 38.5459 -23.6574 -37.6595 TIMING: 2364800 CPU: 7058.25, 0.00298056/step Wall: 7058.25, 0.00298056/step, 2.18177 hours remaining, 206.714844 MB of memory in use. ENERGY: 2364800 710.0537 2084.4088 1902.0713 95.6164 -205900.6238 17637.3524 0.0000 0.0000 34033.6443 -149437.4769 297.2243 -183471.1212 -149335.4740 298.2521 -141.1986 -112.7295 558974.4488 -0.1632 -0.2967 PRESSURE: 2365000 101.49 51.5093 153.992 51.5098 -170.836 163.615 153.992 163.614 150.875 GPRESSURE: 2365000 105.832 77.453 198.016 93.2765 -99.733 145.209 132.228 167.866 175.82 PRESSAVG: 2365000 -0.114571 -35.265 -3.60235 -35.2649 -14.4506 32.1365 -3.60239 32.1365 43.6487 GPRESSAVG: 2365000 -1.25277 -35.002 -3.82545 -37.3729 -14.29 30.5772 -4.64376 31.6598 44.2605 TIMING: 2365000 CPU: 7058.83, 0.0029471/step Wall: 7058.83, 0.0029471/step, 2.15711 hours remaining, 206.714844 MB of memory in use. ENERGY: 2365000 720.3739 2054.9738 1918.3698 101.4431 -206134.4275 17611.7039 0.0000 0.0000 34260.6585 -149466.9044 299.2069 -183727.5629 -149370.4388 298.0217 27.1763 60.6397 556700.6984 9.6945 9.5726 PRESSURE: 2365200 -333.026 -170.542 6.71478 -170.54 -489.07 56.368 6.71558 56.3677 -187.542 GPRESSURE: 2365200 -312.341 -136.552 37.2599 -155.599 -446.337 99.5102 27.1627 91.2156 -155.124 PRESSAVG: 2365200 -3.20748 -15.6043 13.1776 -15.6043 -27.5756 71.9567 13.1777 71.9565 52.9538 GPRESSAVG: 2365200 -1.94585 -16.5372 13.3054 -15.0579 -27.3876 71.9204 12.5772 73.1695 51.3659 TIMING: 2365200 CPU: 7059.42, 0.00294106/step Wall: 7059.42, 0.00294106/step, 2.15253 hours remaining, 206.714844 MB of memory in use. ENERGY: 2365200 731.4745 2096.5285 1919.3681 106.5439 -205599.2338 17341.3035 0.0000 0.0000 34059.0084 -149345.0070 297.4458 -183404.0154 -149255.7169 299.0692 -336.5459 -304.6007 559586.3552 7.3902 7.3442 PRESSURE: 2365400 -213.289 -196.932 129.764 -196.932 -129.555 128.19 129.765 128.19 181.542 GPRESSURE: 2365400 -140.388 -222.119 83.7428 -209.957 -101.186 131.17 138.522 37.8694 168.834 PRESSAVG: 2365400 -17.0361 -11.4716 -13.7682 -11.4717 -29.5015 67.6374 -13.7682 67.6372 -6.72568 GPRESSAVG: 2365400 -15.7727 -9.34759 -15.2214 -13.1261 -30.8047 68.6148 -11.1202 66.4563 -6.30313 TIMING: 2365400 CPU: 7060.01, 0.0029448/step Wall: 7060.01, 0.0029448/step, 2.1551 hours remaining, 206.714844 MB of memory in use. ENERGY: 2365400 736.9060 2070.5511 1887.6262 103.8533 -205913.2546 17630.5118 0.0000 0.0000 34169.1295 -149314.6766 298.4075 -183483.8061 -149223.3659 299.2656 -53.7674 -24.2469 558466.7442 -17.7544 -17.6269 PRESSURE: 2365600 81.5426 -133.042 -317.153 -133.043 11.6907 179.443 -317.152 179.442 -93.4089 GPRESSURE: 2365600 73.1238 -93.4619 -273.068 -135.917 90.0806 193.225 -324.284 214.103 -53.947 PRESSAVG: 2365600 36.6843 -8.51568 3.18276 -8.51564 -16.0796 57.787 3.18265 57.787 -7.50686 GPRESSAVG: 2365600 34.9328 -8.2013 3.62389 -8.68161 -14.019 58.006 2.53597 58.8411 -7.89852 TIMING: 2365600 CPU: 7060.6, 0.00293371/step Wall: 7060.6, 0.00293371/step, 2.14682 hours remaining, 206.714844 MB of memory in use. ENERGY: 2365600 725.4517 2062.9057 1902.3749 101.9125 -206110.6588 17879.0862 0.0000 0.0000 34031.9365 -149406.9912 297.2094 -183438.9278 -149312.1460 298.6721 -0.0585 36.4191 557793.1873 4.3659 4.3384 PRESSURE: 2365800 174.282 -142.229 53.9986 -142.23 -345.573 28.4909 53.9978 28.4912 8.54945 GPRESSURE: 2365800 203.312 -100.474 -45.6753 -92.8381 -313.358 -1.62219 106.138 46.1013 48.7874 PRESSAVG: 2365800 14.8226 6.32802 -12.3311 6.32797 15.2445 24.0086 -12.331 24.0088 -57.2213 GPRESSAVG: 2365800 15.3023 4.29712 -11.2559 7.69993 14.4381 25.0188 -13.5809 23.9373 -56.8205 TIMING: 2365800 CPU: 7061.19, 0.00294258/step Wall: 7061.19, 0.00294258/step, 2.15315 hours remaining, 206.914062 MB of memory in use. ENERGY: 2365800 713.5002 2064.9394 1906.4488 100.3884 -206276.1126 17786.3126 0.0000 0.0000 34278.9599 -149425.5633 299.3667 -183704.5232 -149333.7289 298.0406 -54.2471 -20.4196 559059.0973 -9.0514 -9.0267 PRESSURE: 2366000 -17.5686 287.189 62.0791 287.191 -42.2043 187.063 62.0787 187.064 113.883 GPRESSURE: 2366000 -44.1288 385.38 33.3715 177.139 60.4209 236.993 117.374 198.155 129.202 PRESSAVG: 2366000 33.7637 54.1671 -46.5938 54.1671 -93.2769 3.74692 -46.5938 3.74698 4.14498 GPRESSAVG: 2366000 34.0463 54.0975 -47.3639 55.9793 -92.9215 0.886426 -46.9721 4.62359 3.61832 TIMING: 2366000 CPU: 7061.78, 0.00298073/step Wall: 7061.78, 0.00298073/step, 2.1809 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2366000 707.9101 2073.4374 1892.2438 107.6439 -205763.1752 17728.8139 0.0000 0.0000 34058.2369 -149194.8890 297.4391 -183253.1259 -149096.8206 298.7835 18.0366 48.4980 558277.2739 -18.4561 -18.4190 PRESSURE: 2366200 -29.3467 54.4907 6.10492 54.4911 224.035 147.39 6.1038 147.39 -89.5212 GPRESSURE: 2366200 -28.0303 33.309 -9.54324 -40.1251 316.651 182.574 -116.172 136.92 -87.0614 PRESSAVG: 2366200 28.8788 3.19449 -54.8817 3.19445 36.4903 34.0573 -54.8817 34.0572 -70.5487 GPRESSAVG: 2366200 28.8208 3.80312 -55.4105 1.87196 35.5154 35.7349 -52.744 33.7401 -69.3398 TIMING: 2366200 CPU: 7062.37, 0.00295021/step Wall: 7062.37, 0.00295021/step, 2.15841 hours remaining, 206.914062 MB of memory in use. ENERGY: 2366200 740.6874 2047.1524 1902.0700 122.0831 -206134.1863 17850.5591 0.0000 0.0000 34393.4052 -149078.2291 300.3662 -183471.6343 -148975.3496 299.0299 35.0558 67.1866 559592.9267 -1.7265 -1.6679 PRESSURE: 2366400 -69.6734 152.251 74.0025 152.251 121.604 -31.8042 74.0008 -31.805 416.255 GPRESSURE: 2366400 -47.2681 242.918 -42.0217 156.839 139.71 -17.8776 88.5356 42.043 472.004 PRESSAVG: 2366400 -20.7099 8.69639 -3.79214 8.6964 39.4668 -14.3001 -3.79205 -14.3001 -18.2736 GPRESSAVG: 2366400 -20.4237 7.89405 -3.67146 10.5221 39.3418 -16.4601 -4.5448 -12.8302 -17.9758 TIMING: 2366400 CPU: 7062.97, 0.00295861/step Wall: 7062.97, 0.00295861/step, 2.16439 hours remaining, 206.914062 MB of memory in use. ENERGY: 2366400 771.6239 2073.0977 1900.1369 106.1809 -206460.6921 18225.0631 0.0000 0.0000 34244.6383 -149139.9512 299.0669 -183384.5895 -149051.0262 299.4909 156.0620 188.1489 558019.5200 0.1611 0.3141 PRESSURE: 2366600 93.9383 18.5469 -114.536 18.5473 47.9241 34.1799 -114.536 34.179 85.5079 GPRESSURE: 2366600 145.477 43.544 -68.213 11.0925 70.1485 19.4111 -197.653 29.2814 110.272 PRESSAVG: 2366600 -53.6169 28.3657 -31.7472 28.3657 68.8422 -3.98687 -31.7472 -3.98688 27.9052 GPRESSAVG: 2366600 -52.7408 27.7675 -31.241 28.6466 70.3735 -2.35089 -33.5511 -3.19419 25.593 TIMING: 2366600 CPU: 7063.56, 0.00294987/step Wall: 7063.56, 0.00294987/step, 2.15783 hours remaining, 206.914062 MB of memory in use. ENERGY: 2366600 707.4202 2057.3913 1926.4673 112.0960 -205934.0069 17783.4342 0.0000 0.0000 34283.4192 -149063.7788 299.4056 -183347.1980 -148967.6574 299.5388 75.7901 108.6326 559010.9938 14.3768 14.4086 PRESSURE: 2366800 43.0971 103.467 -224.651 103.469 -80.1515 -78.4579 -224.652 -78.4569 123.561 GPRESSURE: 2366800 22.1096 103.611 -312.853 46.7626 -57.26 35.7256 -157.318 -143.708 211.827 PRESSAVG: 2366800 -32.5805 27.1544 -8.28675 27.1543 42.5114 18.9564 -8.28676 18.9564 36.6231 GPRESSAVG: 2366800 -33.19 29.7036 -9.17301 24.5047 42.2667 19.8633 -7.38978 16.8903 37.4364 TIMING: 2366800 CPU: 7064.14, 0.00293488/step Wall: 7064.14, 0.00293488/step, 2.1467 hours remaining, 206.914062 MB of memory in use. ENERGY: 2366800 752.6272 2062.4364 1951.6778 115.5704 -205898.6554 17794.7033 0.0000 0.0000 34218.6684 -149002.9719 298.8401 -183221.6403 -148906.0766 299.4902 28.8356 58.8924 557767.7696 15.5180 15.5044 PRESSURE: 2367000 49.9951 -37.386 69.5457 -37.3854 -36.1209 49.9812 69.5471 49.9775 87.0171 GPRESSURE: 2367000 148.466 -59.6632 118.803 -8.70418 -69.8954 103.643 2.38863 22.7651 109.607 PRESSAVG: 2367000 19.1581 48.8729 -38.8672 48.873 -56.3851 7.5444 -38.8673 7.54446 45.9808 GPRESSAVG: 2367000 18.708 46.9411 -40.138 49.8469 -57.1738 6.91604 -36.1294 7.2829 46.7786 TIMING: 2367000 CPU: 7064.73, 0.00294792/step Wall: 7064.73, 0.00294792/step, 2.15608 hours remaining, 206.914062 MB of memory in use. ENERGY: 2367000 728.3011 2146.1601 1927.1677 109.0571 -206233.4868 17989.3607 0.0000 0.0000 34160.2983 -149173.1418 298.3304 -183333.4401 -149080.4737 299.2339 33.6304 62.7256 559376.3012 2.9180 2.7709 PRESSURE: 2367200 -176.74 0.662826 -170.825 0.662766 -186.099 -112.87 -170.827 -112.871 62.3046 GPRESSURE: 2367200 -133.693 14.477 -103.775 -63.5274 -177.885 -131.374 -108.014 -63.0528 105.458 PRESSAVG: 2367200 -69.7298 37.4563 4.74159 37.4564 7.35013 -1.42254 4.74161 -1.42258 37.689 GPRESSAVG: 2367200 -70.4701 39.3197 4.15173 36.5991 7.772 -1.34321 2.03792 -2.75503 37.1972 TIMING: 2367200 CPU: 7065.32, 0.00295437/step Wall: 7065.32, 0.00295437/step, 2.16063 hours remaining, 206.914062 MB of memory in use. ENERGY: 2367200 697.4729 2033.7364 1930.4340 119.6348 -205987.7753 17750.5133 0.0000 0.0000 34384.1634 -149071.8204 300.2855 -183455.9838 -148970.6884 299.4165 -100.1782 -68.7067 560376.1477 -8.2302 -8.5003 PRESSURE: 2367400 -195.821 -87.9347 -68.5724 -87.9354 -188.893 49.325 -68.5729 49.3237 -225.063 GPRESSURE: 2367400 -152.303 -53.2755 -8.38752 -86.5212 -183.995 -62.6897 -27.1669 -32.8045 -190.516 PRESSAVG: 2367400 -2.60948 -36.5501 -38.4782 -36.5501 34.0713 -9.87182 -38.4782 -9.87188 -22.9131 GPRESSAVG: 2367400 -2.41793 -37.6589 -37.206 -33.7558 34.6175 -12.0331 -39.7733 -7.66212 -23.5678 TIMING: 2367400 CPU: 7065.92, 0.0029622/step Wall: 7065.92, 0.0029622/step, 2.16619 hours remaining, 206.914062 MB of memory in use. ENERGY: 2367400 770.9887 2077.1625 1947.4739 109.3095 -206174.3171 17751.1094 0.0000 0.0000 34340.7947 -149177.4784 299.9067 -183518.2731 -149088.9457 299.7461 -203.2595 -175.6046 560204.0439 2.8496 2.8772 PRESSURE: 2367600 -117.531 44.8001 -134.627 44.8003 3.34688 -23.6283 -134.625 -23.6289 -17.5207 GPRESSURE: 2367600 -35.2636 76.0329 -123.224 39.4802 38.472 -75.3731 -211.768 77.3931 -45.6108 PRESSAVG: 2367600 -64.4858 45.9233 19.7157 45.9232 29.233 11.0357 19.7156 11.0359 35.7004 GPRESSAVG: 2367600 -64.4545 46.5047 19.9732 45.3431 29.3422 12.3966 20.952 10.7134 35.1589 TIMING: 2367600 CPU: 7066.5, 0.00293843/step Wall: 7066.5, 0.00293843/step, 2.14864 hours remaining, 206.914062 MB of memory in use. ENERGY: 2367600 755.6745 2124.5939 1924.4418 109.1342 -206078.5448 17906.3911 0.0000 0.0000 33997.0168 -149261.2926 296.9044 -183258.3094 -149168.1535 299.0690 -43.9015 -14.1341 559626.6336 0.1492 0.0156 PRESSURE: 2367800 167.008 116.768 -88.3905 116.77 269.707 -189.984 -88.39 -189.982 -35.0223 GPRESSURE: 2367800 200.742 126.174 -133.145 17.9045 290.562 -146.488 -74.6583 -200.532 9.25571 PRESSAVG: 2367800 13.6192 88.0177 -29.0724 88.0177 13.8757 32.7515 -29.0723 32.7515 -51.1474 GPRESSAVG: 2367800 14.1446 85.8065 -29.3817 88.658 13.8216 33.8974 -27.9472 31.737 -51.3912 TIMING: 2367800 CPU: 7067.09, 0.00295742/step Wall: 7067.09, 0.00295742/step, 2.16237 hours remaining, 206.914062 MB of memory in use. ENERGY: 2367800 749.9254 2086.9539 1929.3560 110.8388 -206514.0593 18046.8702 0.0000 0.0000 34362.5054 -149227.6097 300.0963 -183590.1150 -149130.9681 299.1841 133.8976 166.8532 557426.6043 -7.8842 -7.8083 PRESSURE: 2368000 184.284 110.311 151.562 110.31 -98.5939 -102.544 151.562 -102.544 63.8487 GPRESSURE: 2368000 170.833 35.5946 157.682 196.648 -54.1984 -83.4183 192.139 -66.8513 117.328 PRESSAVG: 2368000 65.1835 49.0148 17.2815 49.0147 -19.7932 -0.632174 17.2814 -0.632374 -29.547 GPRESSAVG: 2368000 64.7426 50.0809 16.7368 47.4533 -20.4159 -1.70055 15.9188 0.535192 -28.5625 TIMING: 2368000 CPU: 7067.69, 0.00299396/step Wall: 7067.69, 0.00299396/step, 2.18892 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2368000 760.9607 2111.9855 1913.7832 110.6606 -206429.9498 17911.5445 0.0000 0.0000 34242.4403 -149378.5750 299.0477 -183621.0153 -149278.0808 298.9756 49.8462 77.9877 555860.9163 5.2811 5.2547 PRESSURE: 2368200 -243.599 -22.0407 79.1834 -22.039 -290.216 31.1839 79.1821 31.184 -238.642 GPRESSURE: 2368200 -216.461 21.7766 94.7858 6.88634 -256.251 -58.2305 80.9372 36.4165 -201.581 PRESSAVG: 2368200 66.1169 48.7912 41.4456 48.7912 -26.1043 5.92875 41.4456 5.92868 -95.3379 GPRESSAVG: 2368200 65.7003 49.9596 42.4864 48.812 -26.0305 5.64311 41.4378 6.04792 -94.7313 TIMING: 2368200 CPU: 7068.29, 0.00298152/step Wall: 7068.29, 0.00298152/step, 2.17966 hours remaining, 206.914062 MB of memory in use. ENERGY: 2368200 758.6551 2087.2189 1907.3363 103.8910 -206372.4648 17645.8047 0.0000 0.0000 34361.3795 -149508.1792 300.0865 -183869.5587 -149416.6776 298.0641 -257.4857 -224.7640 559433.3650 -18.4418 -18.3538 LDB: ============= START OF LOAD BALANCING ============== 7071.84 LDB: ============== END OF LOAD BALANCING =============== 7071.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7071.84 LDB: ============= START OF LOAD BALANCING ============== 7072.14 LDB: Largest compute 4773 load 0.028926 is 24.5% of average load 0.118222 LDB: Average compute 0.001725 is 1.5% of average load 0.118222 LDB: TIME 7072.14 LOAD: AVG 0.118222 MAX 0.202429 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.195 MB LDB: TIME 7072.14 LOAD: AVG 0.118222 MAX 0.202429 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.199 MB LDB: TIME 7072.14 LOAD: AVG 0.118222 MAX 0.202429 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.199 MB LDB: ============== END OF LOAD BALANCING =============== 7072.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7072.15 PRESSURE: 2368400 -302.024 119.731 44.1464 119.731 -194.601 -51.5789 44.1461 -51.5807 71.4442 GPRESSURE: 2368400 -172.294 158.068 2.10442 148.738 -141.707 -90.7104 96.1466 -75.4816 -16.0622 PRESSAVG: 2368400 -35.9908 -28.1543 5.85843 -28.1543 -24.5989 16.9485 5.85837 16.9485 51.9395 GPRESSAVG: 2368400 -33.7733 -28.0847 5.00844 -28.8772 -24.9729 17.1589 3.98237 16.2447 50.3994 TIMING: 2368400 CPU: 7068.9, 0.00303476/step Wall: 7068.9, 0.00303476/step, 2.21841 hours remaining, 206.714844 MB of memory in use. ENERGY: 2368400 742.5687 2115.6820 1912.5831 93.4206 -206121.9495 17738.8742 0.0000 0.0000 34016.6519 -149502.1690 297.0759 -183518.8209 -149412.1610 298.5718 -141.7269 -110.0210 559256.4523 -2.8834 -2.7823 PRESSURE: 2368600 -192.355 -85.435 104.31 -85.4337 -137.305 47.5633 104.31 47.5621 165.825 GPRESSURE: 2368600 -159.937 -71.6972 93.9266 -59.9218 -60.7657 84.0337 88.6939 70.233 153.883 PRESSAVG: 2368600 -71.1818 82.561 1.8236 82.5609 20.1499 27.1848 1.82357 27.1848 77.6288 GPRESSAVG: 2368600 -71.4071 82.0392 2.18196 82.0249 19.5602 27.5695 4.61327 27.1802 78.396 TIMING: 2368600 CPU: 7069.49, 0.00298863/step Wall: 7069.49, 0.00298863/step, 2.18452 hours remaining, 206.714844 MB of memory in use. ENERGY: 2368600 769.9326 2118.8559 1914.8452 118.8388 -206687.4015 17876.1039 0.0000 0.0000 34352.1563 -149536.6689 300.0059 -183888.8252 -149441.7340 298.2997 -54.6114 -22.2730 557895.6367 8.8657 8.8497 PRESSURE: 2368800 -453.424 186.712 -53.3507 186.712 -252.357 -5.66275 -53.3513 -5.66334 -161.628 GPRESSURE: 2368800 -411.062 179.531 -74.2448 194.367 -249.442 47.8558 -13.5917 -24.5299 -103.226 PRESSAVG: 2368800 36.4641 1.44809 44.3711 1.44798 11.9345 44.9443 44.3711 44.9445 -24.0759 GPRESSAVG: 2368800 36.0563 2.41469 44.3065 3.0704 11.6627 43.7764 43.4769 47.0293 -22.5971 TIMING: 2368800 CPU: 7070.09, 0.00295872/step Wall: 7070.09, 0.00295872/step, 2.1625 hours remaining, 206.714844 MB of memory in use. ENERGY: 2368800 778.3392 2131.3724 1911.6653 107.3948 -206280.3920 17512.3089 0.0000 0.0000 34137.0266 -149702.2848 298.1271 -183839.3113 -149603.9363 297.9306 -289.1363 -254.5769 558030.9677 8.1076 8.3739 PRESSURE: 2369000 277.577 69.7795 -68.3938 69.7797 36.8945 66.7729 -68.3926 66.7726 -221.64 GPRESSURE: 2369000 275.596 50.4798 -155.17 121.288 32.7066 106.868 -30.2505 21.6872 -113.791 PRESSAVG: 2369000 -44.8863 36.7196 -2.40189 36.7195 41.4176 -30.5541 -2.40191 -30.554 17.0951 GPRESSAVG: 2369000 -44.7086 35.464 -3.46551 35.3932 41.9876 -28.4747 -2.55624 -34.3235 16.3388 TIMING: 2369000 CPU: 7070.68, 0.0029815/step Wall: 7070.68, 0.0029815/step, 2.17898 hours remaining, 206.714844 MB of memory in use. ENERGY: 2369000 719.5120 2102.4225 1914.4250 118.0987 -206375.3721 17776.6544 0.0000 0.0000 34146.4164 -149597.8431 298.2091 -183744.2596 -149493.0748 297.7765 30.9439 64.8374 556236.3905 4.5421 4.5393 PRESSURE: 2369200 -193.552 34.3644 -123.176 34.3627 147.555 -135.97 -123.176 -135.97 177.959 GPRESSURE: 2369200 -162.595 96.0558 -102.854 -57.5236 147.257 -102.819 -136.894 -35.7391 240.443 PRESSAVG: 2369200 2.13369 -18.457 -12.899 -18.457 -23.0898 -38.5755 -12.899 -38.5755 44.1291 GPRESSAVG: 2369200 2.19803 -18.5124 -10.726 -17.3927 -24.107 -38.5112 -13.0777 -36.9102 45.001 TIMING: 2369200 CPU: 7071.27, 0.00296229/step Wall: 7071.27, 0.00296229/step, 2.16478 hours remaining, 206.714844 MB of memory in use. ENERGY: 2369200 740.3664 2086.7656 1920.0479 126.8076 -206289.2491 17761.7873 0.0000 0.0000 34126.0160 -149527.4584 298.0310 -183653.4744 -149429.5206 298.5346 43.9873 75.0350 556803.5261 7.7243 7.6974 PRESSURE: 2369400 230.712 -97.5804 45.0438 -97.5795 52.8647 62.1512 45.0434 62.1517 365.837 GPRESSURE: 2369400 273.321 -37.4803 29.7604 -162.148 54.9773 34.3546 69.5889 63.1606 417.815 PRESSAVG: 2369400 -7.73017 -15.2814 45.2627 -15.2814 1.41347 24.2626 45.2628 24.2625 59.2873 GPRESSAVG: 2369400 -8.49988 -14.5604 42.888 -15.5996 3.0502 24.8908 46.0476 23.734 58.2804 TIMING: 2369400 CPU: 7071.87, 0.00295445/step Wall: 7071.87, 0.00295445/step, 2.15888 hours remaining, 206.714844 MB of memory in use. ENERGY: 2369400 712.7488 2147.8389 1941.5458 112.5097 -206587.8602 18157.3253 0.0000 0.0000 34124.1490 -149391.7426 298.0147 -183515.8916 -149300.0371 298.4128 216.4713 248.7046 556416.0806 17.6569 17.6102 PRESSURE: 2369600 -131.558 -29.7772 69.7316 -29.7757 62.8217 -97.3472 69.7314 -97.3468 -211.669 GPRESSURE: 2369600 -80.057 -46.7383 6.63581 0.430033 79.8078 -84.3306 144.884 -133.621 -186.778 PRESSAVG: 2369600 -31.8442 14.4315 20.3499 14.4315 39.2799 -54.4803 20.3499 -54.4804 -36.8926 GPRESSAVG: 2369600 -31.2349 11.6183 24.5032 15.5059 38.2038 -54.9326 17.9843 -54.75 -36.5572 TIMING: 2369600 CPU: 7072.46, 0.00297431/step Wall: 7072.46, 0.00297431/step, 2.17323 hours remaining, 206.714844 MB of memory in use. ENERGY: 2369600 758.5871 2077.6018 1937.2768 116.6727 -206296.2439 17658.7874 0.0000 0.0000 34450.6888 -149296.6294 300.8664 -183747.3182 -149198.0035 299.1471 -93.4682 -62.3425 557291.8063 -9.8190 -9.8627 PRESSURE: 2369800 -197.92 67.6542 96.844 67.6525 -11.2048 65.4573 96.8441 65.4586 112.393 GPRESSURE: 2369800 -181.287 21.8229 121.348 134.801 33.5426 98.1953 68.5541 86.2811 144.838 PRESSAVG: 2369800 57.1192 30.199 -14.2819 30.199 -52.3119 12.8415 -14.2818 12.8415 -52.1576 GPRESSAVG: 2369800 56.6079 31.4752 -19.3812 30.2517 -52.3518 11.6399 -11.2707 12.1861 -51.5932 TIMING: 2369800 CPU: 7073.06, 0.00298363/step Wall: 7073.06, 0.00298363/step, 2.17987 hours remaining, 206.714844 MB of memory in use. ENERGY: 2369800 759.0204 2066.5440 1924.1901 120.5723 -206292.9879 17813.7993 0.0000 0.0000 34448.6001 -149160.2617 300.8482 -183608.8618 -149056.3520 299.8954 -32.2437 -0.9688 556717.7138 -15.7834 -15.7790 PRESSURE: 2370000 133.237 -209.521 -47.9966 -209.521 -14.6131 -128.968 -47.997 -128.968 -166.389 GPRESSURE: 2370000 141.517 -201.129 35.5217 -253.686 35.5409 -71.1314 -72.6586 -149.017 -127.62 PRESSAVG: 2370000 -31.1661 35.6021 -25.0356 35.602 19.9702 -36.7992 -25.0356 -36.7992 30.1435 GPRESSAVG: 2370000 -29.7789 36.7133 -23.6012 34.153 19.3603 -36.0386 -27.2882 -36.901 29.0435 TIMING: 2370000 CPU: 7073.66, 0.00299371/step Wall: 7073.66, 0.00299371/step, 2.18707 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2370000 724.2089 2081.1761 1927.4902 113.8985 -206335.8544 17879.6187 0.0000 0.0000 34383.8286 -149225.6334 300.2825 -183609.4620 -149123.1600 299.7161 -15.9218 16.4795 557709.1613 6.3159 6.2083 PRESSURE: 2370200 120.324 -34.3735 158.645 -34.3735 54.9756 -127.78 158.645 -127.781 -176.917 GPRESSURE: 2370200 159.708 11.9427 147.175 -65.619 45.9043 -212.739 172.941 -145.418 -115.734 PRESSAVG: 2370200 -23.394 37.9294 23.7611 37.9293 5.43541 -58.4375 23.7611 -58.4376 0.652216 GPRESSAVG: 2370200 -23.1991 37.6729 25.8156 38.7852 5.78242 -58.2765 23.7047 -58.3468 -0.232003 TIMING: 2370200 CPU: 7074.25, 0.00297442/step Wall: 7074.25, 0.00297442/step, 2.17282 hours remaining, 206.714844 MB of memory in use. ENERGY: 2370200 745.1349 2128.1676 1918.3394 104.9731 -205982.6886 17687.1481 0.0000 0.0000 34130.3447 -149268.5808 298.0688 -183398.9254 -149165.8956 298.7432 -0.5392 29.9595 557506.2225 -5.7688 -5.8829 PRESSURE: 2370400 -180.212 -53.3314 157.029 -53.3323 -339.891 32.8926 157.03 32.8922 54.6884 GPRESSURE: 2370400 -170.68 -12.2169 217.547 -100.721 -285.387 31.6518 100.632 30.9461 85.4365 PRESSAVG: 2370400 0.353411 24.5913 33.4127 24.5913 23.0293 27.1615 33.4127 27.1616 -53.7103 GPRESSAVG: 2370400 -1.57817 23.2901 32.8825 24.9935 22.7552 27.2643 32.7399 27.8794 -52.2398 TIMING: 2370400 CPU: 7074.85, 0.00298587/step Wall: 7074.85, 0.00298587/step, 2.18101 hours remaining, 206.714844 MB of memory in use. ENERGY: 2370400 758.1216 2091.3122 1926.1136 132.8616 -206210.8505 17725.8698 0.0000 0.0000 34402.2029 -149174.3688 300.4430 -183576.5717 -149074.3226 299.5023 -155.1381 -123.5435 559202.3433 -10.1092 -10.3543 PRESSURE: 2370600 74.4018 -62.8159 -92.2359 -62.8152 -220.726 -196.983 -92.2359 -196.982 -153.163 GPRESSURE: 2370600 92.6494 -76.8051 -122.123 -47.418 -147.641 -161.077 -78.6349 -175.695 -146.343 PRESSAVG: 2370600 27.7516 -41.1357 -11.9074 -41.1356 17.2129 -12.5976 -11.9074 -12.5976 -5.87151 GPRESSAVG: 2370600 27.9627 -39.9145 -11.9683 -42.1702 16.8896 -13.0061 -10.7599 -12.2682 -5.67763 TIMING: 2370600 CPU: 7075.44, 0.00296573/step Wall: 7075.44, 0.00296573/step, 2.16613 hours remaining, 206.714844 MB of memory in use. ENERGY: 2370600 741.4025 2136.6871 1936.8896 111.9081 -206296.9208 17751.6279 0.0000 0.0000 34455.0838 -149163.3218 300.9048 -183618.4056 -149061.2725 299.7155 -99.8293 -67.1114 557887.9716 13.0310 13.0582 PRESSURE: 2370800 -33.8653 -198.808 -16.7398 -198.81 58.1102 67.6839 -16.74 67.6848 -6.03333 GPRESSURE: 2370800 18.5218 -187.632 -98.5928 -223.592 72.5226 99.4211 8.65613 71.3902 27.1168 PRESSAVG: 2370800 -2.93915 9.86272 -33.2447 9.86275 -5.7283 -49.4901 -33.2447 -49.49 12.5313 GPRESSAVG: 2370800 -3.23911 12.0276 -34.4749 8.00374 -4.13766 -50.7638 -32.9359 -48.6965 10.7954 TIMING: 2370800 CPU: 7076.04, 0.00297703/step Wall: 7076.04, 0.00297703/step, 2.17422 hours remaining, 206.714844 MB of memory in use. ENERGY: 2370800 747.8008 2116.2425 1924.6703 105.7776 -206635.1023 17998.1128 0.0000 0.0000 34454.0744 -149288.4239 300.8960 -183742.4983 -149192.2568 299.5491 6.0705 39.3871 556967.3218 1.2880 1.1396 PRESSURE: 2371000 -125.369 -78.4236 -42.4584 -78.4229 -33.3314 162.573 -42.4594 162.573 -116.349 GPRESSURE: 2371000 -35.3017 -64.833 -27.7118 -132.026 -12.0549 161.738 16.0024 127.768 -139.608 PRESSAVG: 2371000 16.3478 -33.5918 -21.9018 -33.5919 -11.2098 -5.84108 -21.9018 -5.84102 -19.2582 GPRESSAVG: 2371000 16.1065 -35.0958 -21.2437 -32.1529 -11.0886 -6.1377 -23.6811 -5.6498 -18.9657 TIMING: 2371000 CPU: 7076.63, 0.00297501/step Wall: 7076.63, 0.00297501/step, 2.17259 hours remaining, 206.714844 MB of memory in use. ENERGY: 2371000 764.2893 2120.1432 1921.5241 122.0280 -206010.0158 17616.5580 0.0000 0.0000 34215.4976 -149249.9755 298.8125 -183465.4731 -149155.3649 299.0189 -91.6830 -62.3215 557881.3009 -4.7067 -4.6493 PRESSURE: 2371200 -15.9161 124.915 -73.8976 124.915 -495.778 29.0798 -73.8975 29.0813 -391.021 GPRESSURE: 2371200 -45.1923 185.872 -65.2518 50.9404 -463.277 6.99981 -62.2097 -59.1524 -289.455 PRESSAVG: 2371200 61.5337 -13.6407 23.4162 -13.6407 -7.72218 59.6626 23.4162 59.6625 -61.0304 GPRESSAVG: 2371200 61.5765 -13.6547 24.1115 -13.6217 -9.13732 60.3588 25.0357 59.1935 -59.4618 TIMING: 2371200 CPU: 7077.23, 0.00297834/step Wall: 7077.23, 0.00297834/step, 2.17485 hours remaining, 206.914062 MB of memory in use. ENERGY: 2371200 726.6487 2055.6294 1957.0865 111.9477 -205503.7980 17264.7098 0.0000 0.0000 34256.1853 -149131.5906 299.1678 -183387.7759 -149036.4512 300.0680 -300.9051 -265.9746 558765.9533 -2.4063 -2.3409 PRESSURE: 2371400 -460.233 -27.7553 32.5751 -27.7538 34.2909 -56.3731 32.5745 -56.3727 -136.632 GPRESSURE: 2371400 -405.376 -45.2201 2.80359 -39.6631 12.4094 4.09554 15.1738 -57.0274 -83.0004 PRESSAVG: 2371400 -32.8257 3.59222 -14.5816 3.59236 22.298 24.3937 -14.5816 24.3935 35.5828 GPRESSAVG: 2371400 -32.1065 2.41696 -14.9211 4.37194 22.8971 25.6831 -15.923 24.6544 33.5969 TIMING: 2371400 CPU: 7077.82, 0.00297024/step Wall: 7077.82, 0.00297024/step, 2.16877 hours remaining, 206.914062 MB of memory in use. ENERGY: 2371400 744.4441 2144.9951 1955.7586 117.4404 -206015.4518 17654.2807 0.0000 0.0000 34300.4740 -149098.0589 299.5546 -183398.5329 -148998.7127 299.3960 -187.5245 -158.6556 558457.1527 8.3517 8.1292 PRESSURE: 2371600 20.923 -125.743 121.417 -125.742 149.308 -77.2354 121.417 -77.2361 -74.4128 GPRESSURE: 2371600 40.9377 -128.979 126.856 -13.1878 213.909 -43.8763 130.141 -114.447 -61.5767 PRESSAVG: 2371600 -58.8106 -79.7928 8.44112 -79.7928 32.4032 -21.1641 8.44114 -21.164 17.5246 GPRESSAVG: 2371600 -59.1492 -77.9312 6.47319 -81.2904 32.8707 -21.13 9.69626 -23.2745 17.4482 TIMING: 2371600 CPU: 7078.42, 0.00298045/step Wall: 7078.42, 0.00298045/step, 2.17606 hours remaining, 206.914062 MB of memory in use. ENERGY: 2371600 769.3020 2064.9355 1932.5116 114.0243 -206447.6400 18040.6383 0.0000 0.0000 34455.5272 -149070.7010 300.9087 -183526.2282 -148973.4787 300.7106 31.9393 64.4234 558131.7346 -2.9609 -2.9434 PRESSURE: 2371800 136.562 -15.2107 -96.2335 -15.2127 215.884 -98.0795 -96.2328 -98.0802 38.3262 GPRESSURE: 2371800 194.762 -130.566 -102.815 67.1228 219.606 -158.801 -138.001 -173.212 71.3616 PRESSAVG: 2371800 29.6956 -70.654 0.923153 -70.654 13.983 18.6046 0.923156 18.6046 -25.6456 GPRESSAVG: 2371800 28.1374 -72.9733 2.62412 -68.2952 13.6683 18.2611 0.394631 18.7637 -23.6149 TIMING: 2371800 CPU: 7079.01, 0.00297438/step Wall: 7079.01, 0.00297438/step, 2.17146 hours remaining, 206.914062 MB of memory in use. ENERGY: 2371800 750.8428 2100.3011 1948.3865 119.3008 -206258.1844 17955.8546 0.0000 0.0000 34399.6234 -148983.8753 300.4205 -183383.4987 -148888.8562 300.6365 130.2574 161.9100 558204.9267 6.0110 6.0636 PRESSURE: 2372000 216.323 -100.975 -6.71258 -100.975 116.795 177.702 -6.71149 177.702 66.9071 GPRESSURE: 2372000 296.238 -126.616 -14.5254 -113.731 139.999 119.365 -49.9116 164.712 71.3954 PRESSAVG: 2372000 32.9701 -36.7383 -40.8031 -36.7383 -19.1425 -28.8841 -40.8031 -28.8842 -12.5217 GPRESSAVG: 2372000 33.0153 -35.143 -40.388 -37.4705 -18.6409 -29.3849 -40.1173 -28.3954 -13.4354 TIMING: 2372000 CPU: 7079.61, 0.00299605/step Wall: 7079.61, 0.00299605/step, 2.18712 hours remaining, 206.914062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2372000 769.1452 2079.6897 1944.8989 110.4993 -206339.9871 18190.0051 0.0000 0.0000 34339.3461 -148906.4029 299.8941 -183245.7490 -148802.7896 300.1107 133.3419 169.2107 559255.4339 0.4353 0.3130 PRESSURE: 2372200 -148.181 201.104 -149.102 201.103 -205.403 -62.9384 -149.102 -62.9382 87.3347 GPRESSURE: 2372200 -98.5859 112.801 -97.7184 233.116 -133.613 -71.002 -103.346 -67.5738 67.0261 PRESSAVG: 2372200 3.81789 -1.30427 16.7485 -1.3043 16.1321 -11.8196 16.7486 -11.8195 -15.8911 GPRESSAVG: 2372200 4.92313 -0.912931 16.4703 0.20538 14.1848 -12.6135 15.5069 -12.088 -14.9057 TIMING: 2372200 CPU: 7080.21, 0.00298611/step Wall: 7080.21, 0.00298611/step, 2.1797 hours remaining, 206.914062 MB of memory in use. ENERGY: 2372200 792.9425 2069.0771 1965.5208 131.9577 -205867.6901 17708.6419 0.0000 0.0000 34183.5675 -149015.9825 298.5336 -183199.5500 -148910.4957 299.8404 -88.7498 -55.0575 557183.6753 1.3530 1.4007 LDB: ============= START OF LOAD BALANCING ============== 7083.76 LDB: ============== END OF LOAD BALANCING =============== 7083.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7083.76 LDB: ============= START OF LOAD BALANCING ============== 7084.06 LDB: Largest compute 4773 load 0.028587 is 24.2% of average load 0.118201 LDB: Average compute 0.001732 is 1.5% of average load 0.118201 LDB: TIME 7084.06 LOAD: AVG 0.118201 MAX 0.202124 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 7084.06 LOAD: AVG 0.118201 MAX 0.202124 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: TIME 7084.06 LOAD: AVG 0.118201 MAX 0.202124 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: ============== END OF LOAD BALANCING =============== 7084.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7084.07 PRESSURE: 2372400 171.814 209.172 55.8474 209.172 15.5218 -25.905 55.8465 -25.904 -200.664 GPRESSURE: 2372400 193.322 203.836 72.5922 221.576 8.92287 -53.1724 18.7201 -106.008 -121.268 PRESSAVG: 2372400 15.0933 32.891 -18.0409 32.8909 -27.2465 -25.8844 -18.0408 -25.8844 4.72586 GPRESSAVG: 2372400 14.3477 31.9511 -18.6784 30.6023 -26.6493 -23.6815 -17.0375 -26.1614 4.54087 TIMING: 2372400 CPU: 7080.82, 0.00303332/step Wall: 7080.82, 0.00303332/step, 2.21399 hours remaining, 206.476562 MB of memory in use. ENERGY: 2372400 786.7307 2178.8561 1945.2603 125.1494 -206214.1081 17785.0222 0.0000 0.0000 34462.5969 -148930.4925 300.9704 -183393.0894 -148832.8736 300.1854 -4.4424 26.9923 556637.9256 -2.4758 -2.5869 PRESSURE: 2372600 -111.084 -83.2022 -37.6198 -83.2024 99.8407 -23.2318 -37.6189 -23.2324 115.516 GPRESSURE: 2372600 -110.118 -127.278 -21.9073 -32.6642 150.595 -91.7465 -43.8567 2.33879 159.956 PRESSAVG: 2372600 -33.7014 14.1343 32.9012 14.1344 -7.15427 -3.86902 32.9012 -3.86896 21.6862 GPRESSAVG: 2372600 -34.0367 12.9994 30.912 15.4567 -6.63906 -5.01095 33.5368 -1.68697 21.4933 TIMING: 2372600 CPU: 7081.41, 0.0029833/step Wall: 7081.41, 0.0029833/step, 2.17731 hours remaining, 206.476562 MB of memory in use. ENERGY: 2372600 799.5999 2073.8568 1923.5002 107.9833 -206169.3060 17934.3816 0.0000 0.0000 34435.6318 -148894.3525 300.7349 -183329.9843 -148789.8040 300.2642 34.7574 66.8110 557985.4243 -6.3898 -6.3942 PRESSURE: 2372800 -158.708 -77.5642 -33.5533 -77.5649 -295.828 -31.9141 -33.5539 -31.9137 -108.388 GPRESSURE: 2372800 -106.082 -99.3453 -58.0452 -43.192 -274.322 97.7353 -34.9717 -58.4433 -74.1293 PRESSAVG: 2372800 -53.1521 -42.5229 24.7423 -42.5229 42.5165 -4.37174 24.7424 -4.37181 24.8865 GPRESSAVG: 2372800 -52.665 -42.4488 25.6297 -42.4554 43.1958 -3.17086 23.6216 -7.63391 24.4854 TIMING: 2372800 CPU: 7082, 0.00294946/step Wall: 7082, 0.00294946/step, 2.15245 hours remaining, 206.476562 MB of memory in use. ENERGY: 2372800 778.8460 2095.4767 1925.9566 117.0404 -205869.9758 17722.2865 0.0000 0.0000 34226.1217 -149004.2479 298.9052 -183230.3696 -148902.8760 299.7666 -187.6415 -151.5113 559523.2528 4.7503 5.0054 PRESSURE: 2373000 -70.3582 -65.9003 -99.626 -65.8999 2.93891 -39.9119 -99.6272 -39.9117 -68.7168 GPRESSURE: 2373000 -42.3601 -42.4404 -151.34 -11.5101 -17.058 -67.4485 -51.498 -113.156 15.8295 PRESSAVG: 2373000 -21.4519 -43.6434 15.2827 -43.6434 21.588 -10.6449 15.2826 -10.645 -42.5181 GPRESSAVG: 2373000 -20.4432 -43.8386 13.8597 -41.9943 20.388 -10.6581 16.1891 -9.29048 -42.2683 TIMING: 2373000 CPU: 7082.59, 0.00295125/step Wall: 7082.59, 0.00295125/step, 2.15359 hours remaining, 206.476562 MB of memory in use. ENERGY: 2373000 756.8113 2127.3500 1930.3366 113.5220 -206012.9852 17788.3546 0.0000 0.0000 34202.8556 -149093.7550 298.7020 -183296.6107 -148996.6791 299.1330 -45.3787 -14.5295 558861.8305 -14.1274 -14.1078 PRESSURE: 2373200 -300.057 -7.00326 -119.146 -7.00405 -288.261 203.107 -119.145 203.109 -94.2708 GPRESSURE: 2373200 -226.365 -30.7986 -72.8593 44.3447 -266.032 235.161 -142.167 118.82 -89.8287 PRESSAVG: 2373200 -23.7107 -68.4087 27.5085 -68.4087 -16.9048 -57.1188 27.5085 -57.1187 4.23472 GPRESSAVG: 2373200 -23.5817 -67.672 29.5483 -72.3664 -16.6447 -57.8818 27.0904 -56.5753 3.87903 TIMING: 2373200 CPU: 7083.18, 0.00295788/step Wall: 7083.18, 0.00295788/step, 2.15827 hours remaining, 206.476562 MB of memory in use. ENERGY: 2373200 804.1696 2133.1360 1908.9126 121.3213 -206025.1122 17712.8796 0.0000 0.0000 34202.3526 -149142.3405 298.6977 -183344.6931 -149046.3137 299.3590 -227.5294 -194.0754 560402.6392 -12.1269 -12.1158 PRESSURE: 2373400 -75.7609 -95.4684 244.72 -95.4683 183.678 123.156 244.721 123.155 143.114 GPRESSURE: 2373400 -49.0041 -99.8324 234.261 -115.43 196.57 196.403 277.333 6.97159 206.748 PRESSAVG: 2373400 -43.8206 -27.4249 -8.06957 -27.4249 -39.3227 29.3376 -8.06955 29.3376 88.7408 GPRESSAVG: 2373400 -43.5212 -26.4208 -9.17873 -26.1771 -39.7345 30.4091 -6.79364 28.4149 88.2572 TIMING: 2373400 CPU: 7083.77, 0.00295542/step Wall: 7083.77, 0.00295542/step, 2.15631 hours remaining, 206.476562 MB of memory in use. ENERGY: 2373400 751.9030 2090.2307 1927.0542 110.6581 -206515.2626 18217.0943 0.0000 0.0000 34312.5931 -149105.7291 299.6604 -183418.3222 -149011.8821 299.4577 83.6768 118.1049 558193.7498 1.8659 1.6672 PRESSURE: 2373600 119.462 -43.7244 -172.055 -43.725 -7.21056 14.5411 -172.055 14.5417 -112.37 GPRESSURE: 2373600 137.199 -16.8837 -186.391 -10.9877 22.7678 1.96994 -111.622 139.483 -73.4826 PRESSAVG: 2373600 -47.6739 -41.8242 8.42126 -41.8241 -0.538367 -5.33115 8.42136 -5.33116 85.1958 GPRESSAVG: 2373600 -47.6445 -42.8206 11.5878 -39.9844 -0.666366 -6.5454 7.08685 -2.94057 85.095 TIMING: 2373600 CPU: 7084.36, 0.00293357/step Wall: 7084.36, 0.00293357/step, 2.1402 hours remaining, 206.476562 MB of memory in use. ENERGY: 2373600 758.7348 2066.0871 1918.5364 98.6018 -205868.8353 17656.0278 0.0000 0.0000 34340.1315 -149030.7160 299.9009 -183370.8474 -148930.5375 299.5567 -0.0393 28.8282 557548.5745 12.3278 12.2614 PRESSURE: 2373800 -346.73 7.56132 140.486 7.56196 -9.60675 -190.26 140.488 -190.26 -25.1815 GPRESSURE: 2373800 -303.941 35.6703 146.576 -36.3765 5.74824 -118.77 175.808 -171.847 16.5561 PRESSAVG: 2373800 51.5088 15.9631 18.6052 15.9631 13.9877 9.7492 18.6052 9.7492 11.951 GPRESSAVG: 2373800 51.5645 18.1155 17.8799 14.3726 14.7585 9.55609 19.1794 9.1866 11.2263 TIMING: 2373800 CPU: 7084.95, 0.00295484/step Wall: 7084.95, 0.00295484/step, 2.15556 hours remaining, 206.476562 MB of memory in use. ENERGY: 2373800 727.0313 2112.2646 1927.7036 104.8309 -205651.7095 17510.6759 0.0000 0.0000 34150.3286 -149118.8746 298.2433 -183269.2032 -149017.7267 299.7701 -127.1728 -93.8788 558324.4598 25.8159 25.8497 PRESSURE: 2374000 70.699 -25.5688 87.3898 -25.5685 39.1112 49.113 87.39 49.1136 -15.7902 GPRESSURE: 2374000 119.366 -81.097 58.4763 -12.0801 49.9996 47.6468 109.691 51.8989 18.319 PRESSAVG: 2374000 -74.7093 -14.6476 -34.672 -14.6477 40.8235 -29.4921 -34.672 -29.4922 -5.0611 GPRESSAVG: 2374000 -74.3574 -16.7697 -37.3139 -12.3449 39.094 -29.662 -34.9942 -29.2597 -4.22616 TIMING: 2374000 CPU: 7085.55, 0.00297587/step Wall: 7085.55, 0.00297587/step, 2.17073 hours remaining, 206.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2374000 780.7235 2052.9551 1937.8501 115.7633 -206321.8223 17982.0190 0.0000 0.0000 34175.0844 -149277.4271 298.4595 -183452.5114 -149187.8279 298.5816 31.3400 62.5615 556052.5733 -12.9823 -13.1632 PRESSURE: 2374200 140.145 32.4986 69.9587 32.4988 88.829 29.9347 69.9585 29.9357 432.286 GPRESSURE: 2374200 254.356 -39.9086 62.0601 0.884263 96.232 70.6821 43.4534 33.6902 397.844 PRESSAVG: 2374200 -8.82918 28.3183 29.5381 28.3183 21.39 -22.8026 29.5383 -22.8026 -6.59273 GPRESSAVG: 2374200 -8.53696 28.6138 30.9198 26.6561 22.0251 -21.1548 30.2553 -22.6784 -6.62533 TIMING: 2374200 CPU: 7086.14, 0.00296566/step Wall: 7086.14, 0.00296566/step, 2.16312 hours remaining, 206.476562 MB of memory in use. ENERGY: 2374200 752.9147 2105.1323 1900.3221 110.7924 -206414.1671 17938.4200 0.0000 0.0000 34355.7680 -149250.8177 300.0375 -183606.5857 -149154.9589 298.9030 220.4200 249.4774 555578.6019 1.9894 2.2876 PRESSURE: 2374400 -63.0673 134.274 -41.6273 134.275 144.321 59.5788 -41.6267 59.5804 79.0746 GPRESSURE: 2374400 -1.50992 47.7158 -19.6992 153.351 177.752 -13.8349 -90.8199 66.1055 84.6952 PRESSAVG: 2374400 -38.0762 74.0129 1.12107 74.0129 -30.1047 -22.1764 1.12114 -22.1764 63.2718 GPRESSAVG: 2374400 -38.4623 74.1258 0.608419 73.7049 -29.1784 -23.8711 1.13151 -21.5281 62.1973 TIMING: 2374400 CPU: 7086.73, 0.0029518/step Wall: 7086.73, 0.0029518/step, 2.15284 hours remaining, 206.476562 MB of memory in use. ENERGY: 2374400 744.5450 2134.9475 1941.7421 117.2628 -206246.5745 17783.7132 0.0000 0.0000 34240.9780 -149283.3860 299.0350 -183524.3640 -149194.1180 298.9347 53.4429 86.9792 556097.8940 -1.6364 -1.8145 PRESSURE: 2374600 199.802 18.7791 -19.6839 18.7805 -27.5573 69.9834 -19.6857 69.9829 72.5246 GPRESSURE: 2374600 204.08 -27.8486 -24.9286 47.8294 41.0331 2.17614 -70.1327 78.7016 81.4668 PRESSAVG: 2374600 -65.8885 11.8571 -61.9515 11.857 21.4155 10.5224 -61.9515 10.5224 -27.2435 GPRESSAVG: 2374600 -66.419 10.5373 -61.3058 12.9942 20.5117 12.4808 -61.92 9.55388 -25.9811 TIMING: 2374600 CPU: 7087.33, 0.00297115/step Wall: 7087.33, 0.00297115/step, 2.16679 hours remaining, 206.476562 MB of memory in use. ENERGY: 2374600 743.4454 2115.5667 1941.4907 109.5242 -206580.1599 17978.4292 0.0000 0.0000 34306.0926 -149385.6110 299.6036 -183691.7037 -149287.3287 299.5351 81.5898 108.8601 556194.2179 -23.9055 -23.9628 PRESSURE: 2374800 4.14007 -21.2465 -142.259 -21.2463 -183.731 -129.641 -142.258 -129.64 -91.776 GPRESSURE: 2374800 65.1792 8.39119 -170.618 -20.7371 -149.641 -117.52 -150.334 -130.76 -82.7483 PRESSAVG: 2374800 -17.605 6.42008 12.8253 6.41999 36.3411 43.753 12.8252 43.7531 -32.9849 GPRESSAVG: 2374800 -18.2591 7.09933 13.8707 6.6275 36.6731 43.6274 11.8168 43.0867 -33.2101 TIMING: 2374800 CPU: 7087.92, 0.00298096/step Wall: 7087.92, 0.00298096/step, 2.17378 hours remaining, 206.476562 MB of memory in use. ENERGY: 2374800 766.2511 2088.0450 1959.7515 124.5875 -206018.6628 17621.0781 0.0000 0.0000 34146.1652 -149312.7843 298.2070 -183458.9496 -149222.6661 298.6863 -90.4557 -55.7366 556476.3554 -4.7496 -4.9320 PRESSURE: 2375000 96.2958 -108.619 -83.753 -108.619 -61.2903 -44.7718 -83.7549 -44.7704 60.5489 GPRESSURE: 2375000 160.289 -151.209 -58.7393 -101.724 -62.3245 101.928 -90.1706 -110.988 97.974 PRESSAVG: 2375000 14.3664 4.84359 -12.228 4.84374 78.7833 -4.45616 -12.228 -4.45609 -51.4101 GPRESSAVG: 2375000 14.8807 4.33319 -14.7311 4.04043 78.4397 -2.98 -11.2234 -4.86981 -51.8468 TIMING: 2375000 CPU: 7088.51, 0.00295021/step Wall: 7088.51, 0.00295021/step, 2.15119 hours remaining, 206.476562 MB of memory in use. ENERGY: 2375000 730.0356 2088.8252 1966.6841 125.6002 -206115.4794 17888.6085 0.0000 0.0000 34113.6531 -149202.0726 297.9230 -183315.7258 -149107.5345 298.8677 31.8515 65.3128 558310.0496 13.9132 13.8246 PRESSURE: 2375200 276.305 -63.3999 13.3415 -63.4001 -2.48896 -26.6481 13.342 -26.6465 -46.2917 GPRESSURE: 2375200 294.053 -47.965 28.2889 -32.5764 9.50471 -9.3596 -26.0047 -89.492 8.78929 PRESSAVG: 2375200 27.4841 1.25142 -2.19894 1.25145 -6.35753 19.2529 -2.1988 19.2529 -7.71377 GPRESSAVG: 2375200 26.6084 1.47177 0.317269 2.22159 -6.44206 19.4984 -5.72642 19.1755 -6.87249 TIMING: 2375200 CPU: 7089.1, 0.00294633/step Wall: 7089.1, 0.00294633/step, 2.1482 hours remaining, 206.476562 MB of memory in use. ENERGY: 2375200 739.7567 2098.4388 1946.4392 111.4254 -206614.0849 17900.1094 0.0000 0.0000 34554.1179 -149263.7975 301.7697 -183817.9153 -149166.8267 299.0938 75.8415 104.1156 556040.8750 4.4709 4.4313 PRESSURE: 2375400 -15.6999 112.985 -267.459 112.984 -114.879 71.5415 -267.46 71.5414 -38.9892 GPRESSURE: 2375400 -14.6259 61.8397 -227.191 166.651 -72.0789 116.759 -397.469 56.6806 29.4809 PRESSAVG: 2375400 -1.54759 5.09343 -18.1002 5.09339 34.2026 27.1045 -18.1003 27.1044 -27.5505 GPRESSAVG: 2375400 -1.17603 5.92599 -18.6785 4.60507 34.5155 26.9695 -16.9255 26.8224 -28.1404 TIMING: 2375400 CPU: 7089.69, 0.00295854/step Wall: 7089.69, 0.00295854/step, 2.15694 hours remaining, 206.476562 MB of memory in use. ENERGY: 2375400 757.6008 2103.9965 1955.5492 112.6472 -206491.3740 17764.8881 0.0000 0.0000 34362.0600 -149434.6322 300.0924 -183796.6922 -149339.2511 299.9363 -56.5227 -19.0747 556299.1644 1.7015 1.7330 PRESSURE: 2375600 -86.338 184.325 71.2976 184.326 -52.5089 62.8201 71.2971 62.8185 -195.82 GPRESSURE: 2375600 -84.5556 206.655 67.1547 135.877 -0.750025 -7.63295 9.69572 79.5934 -158.347 PRESSAVG: 2375600 -42.7927 109.674 -62.9276 109.674 47.302 4.31164 -62.9277 4.31165 -18.9836 GPRESSAVG: 2375600 -43.1326 109.227 -65.8535 107.785 47.8784 1.46424 -58.898 6.39651 -19.5167 TIMING: 2375600 CPU: 7090.28, 0.00295105/step Wall: 7090.28, 0.00295105/step, 2.15131 hours remaining, 206.476562 MB of memory in use. ENERGY: 2375600 738.0635 2081.4085 1938.1514 100.4876 -206082.3927 17520.2986 0.0000 0.0000 34146.7823 -149557.2009 298.2123 -183703.9832 -149452.4168 298.8574 -111.5556 -81.2174 555505.6032 -4.8248 -4.9236 PRESSURE: 2375800 34.9166 -76.404 -13.6472 -76.4039 381.147 31.5222 -13.648 31.5211 -102.275 GPRESSURE: 2375800 87.921 -39.3816 -66.9611 -119.971 376.305 -9.73433 37.3808 38.8233 -51.4985 PRESSAVG: 2375800 -9.97531 36.3415 25.6076 36.3415 29.4283 18.2857 25.6075 18.2856 23.6945 GPRESSAVG: 2375800 -8.59045 37.3582 27.5679 37.4497 28.5761 21.0636 24.1481 16.1479 23.3955 TIMING: 2375800 CPU: 7090.87, 0.00294591/step Wall: 7090.87, 0.00294591/step, 2.1474 hours remaining, 206.476562 MB of memory in use. ENERGY: 2375800 700.2579 2078.4076 1941.1908 105.7553 -206632.2144 18083.9078 0.0000 0.0000 34156.6592 -149566.0358 298.2986 -183722.6950 -149472.7439 298.6215 104.5963 137.5760 555403.7226 14.3825 14.4604 PRESSURE: 2376000 86.0477 -14.491 -23.0102 -14.4919 -146.907 50.0436 -23.0102 50.0439 -34.4166 GPRESSURE: 2376000 141.493 -28.2205 43.7296 -24.1819 -135.016 -63.298 -60.9577 22.2752 3.42899 PRESSAVG: 2376000 77.4079 4.20988 -52.0969 4.20983 -15.1578 9.12743 -52.097 9.12756 -46.6363 GPRESSAVG: 2376000 77.154 3.52265 -50.5423 5.06676 -14.7939 7.01493 -54.1914 11.8353 -47.2076 TIMING: 2376000 CPU: 7091.46, 0.00293307/step Wall: 7091.46, 0.00293307/step, 2.13788 hours remaining, 206.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2376000 758.7470 2066.9603 1927.3128 116.0170 -206442.4334 17970.2694 0.0000 0.0000 34018.2093 -149584.9176 297.0895 -183603.1269 -149483.1925 298.7966 -31.7588 3.3020 558032.4614 5.2046 5.0509 PRESSURE: 2376200 66.8421 18.775 -201.072 18.7749 -141.936 -70.0893 -201.072 -70.0887 -44.0778 GPRESSURE: 2376200 77.9543 -4.36033 -177.761 14.7172 -96.9919 -93.2311 -240.413 -66.1504 -8.73786 PRESSAVG: 2376200 25.7875 -3.16061 -63.1546 -3.16065 -31.8464 62.0011 -63.1547 62.0014 14.9587 GPRESSAVG: 2376200 25.29 -2.68832 -62.1259 -3.96525 -31.5928 62.39 -61.239 61.1103 15.2187 TIMING: 2376200 CPU: 7092.04, 0.00292756/step Wall: 7092.04, 0.00292756/step, 2.1337 hours remaining, 206.476562 MB of memory in use. ENERGY: 2376200 750.6093 2088.9956 1951.5541 123.0211 -206340.2541 17905.8196 0.0000 0.0000 33985.1209 -149535.1335 296.8005 -183520.2544 -149448.7670 298.3501 -39.7239 -9.2585 557262.4124 2.9666 2.9720 LDB: ============= START OF LOAD BALANCING ============== 7095.59 LDB: ============== END OF LOAD BALANCING =============== 7095.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7095.59 LDB: ============= START OF LOAD BALANCING ============== 7095.89 LDB: Largest compute 4773 load 0.027605 is 23.3% of average load 0.118244 LDB: Average compute 0.001732 is 1.5% of average load 0.118244 LDB: TIME 7095.89 LOAD: AVG 0.118244 MAX 0.199213 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 7095.89 LOAD: AVG 0.118244 MAX 0.199213 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.359 MB LDB: TIME 7095.89 LOAD: AVG 0.118244 MAX 0.199213 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.359 MB LDB: ============== END OF LOAD BALANCING =============== 7095.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7095.9 PRESSURE: 2376400 -32.8739 -121.749 -7.16756 -121.748 -0.469993 106.738 -7.16722 106.738 -7.07466 GPRESSURE: 2376400 0.608269 -151.866 153.8 -177.839 8.36905 88.2019 -136.439 96.2023 44.5885 PRESSAVG: 2376400 -5.21797 -23.5111 -44.6645 -23.5112 9.66789 24.6679 -44.6646 24.668 31.9748 GPRESSAVG: 2376400 -5.64403 -23.8718 -46.8799 -24.0974 9.87653 24.7877 -44.174 25.8005 32.5465 TIMING: 2376400 CPU: 7092.64, 0.00300563/step Wall: 7092.64, 0.00300563/step, 2.19043 hours remaining, 206.476562 MB of memory in use. ENERGY: 2376400 766.1091 2044.3376 1933.7989 126.0296 -206417.6420 17818.2735 0.0000 0.0000 34423.3211 -149305.7722 300.6274 -183729.0933 -149205.2703 298.1415 -13.4728 17.8553 557793.4293 12.1416 12.2597 PRESSURE: 2376600 -89.5601 223.394 -147.34 223.393 -183.331 -1.19969 -147.339 -1.20158 -5.83578 GPRESSURE: 2376600 -21.4533 165.418 -82.5065 195.402 -167.954 64.7537 -221.478 21.4546 3.97568 PRESSAVG: 2376600 31.3926 -40.9343 2.29476 -40.9342 -17.9781 -7.58269 2.29479 -7.58271 -8.79852 GPRESSAVG: 2376600 31.8157 -40.2347 2.4146 -40.0613 -18.399 -6.70475 1.87321 -8.298 -8.53111 TIMING: 2376600 CPU: 7093.24, 0.00296569/step Wall: 7093.24, 0.00296568/step, 2.16116 hours remaining, 206.476562 MB of memory in use. ENERGY: 2376600 739.9440 2092.0420 1932.0825 112.7805 -205798.5133 17563.7738 0.0000 0.0000 34096.6967 -149261.1937 297.7749 -183357.8904 -149164.8120 298.7459 -92.9091 -61.8104 557879.6456 1.5387 1.6285 PRESSURE: 2376800 100.582 84.7577 31.8068 84.7577 158.425 -24.7499 31.8054 -24.7491 -34.6368 GPRESSURE: 2376800 168.608 96.8978 24.3438 180.534 163.496 -53.4953 -9.81856 -126.145 -10.5225 PRESSAVG: 2376800 34.5736 11.0382 6.10715 11.0382 -41.187 -6.38636 6.10708 -6.38633 24.4996 GPRESSAVG: 2376800 34.9911 9.32335 7.00639 12.5964 -41.9688 -7.44798 4.71868 -7.81915 24.5936 TIMING: 2376800 CPU: 7093.84, 0.00299332/step Wall: 7093.84, 0.00299332/step, 2.18113 hours remaining, 206.476562 MB of memory in use. ENERGY: 2376800 744.1136 2073.9463 1924.8655 117.4408 -205766.3280 17613.0297 0.0000 0.0000 34053.0964 -149239.8358 297.3942 -183292.9322 -149151.2903 299.0010 74.7902 107.1938 556918.9506 5.9620 5.8720 PRESSURE: 2377000 -17.8466 -104.367 -60.898 -104.368 -6.91478 -13.447 -60.8982 -13.4473 -249.217 GPRESSURE: 2377000 60.2319 -111.812 -11.5446 -0.277836 -3.62788 -156.555 -73.856 118.748 -227.267 PRESSAVG: 2377000 18.2607 6.30933 2.37655 6.30927 -21.3378 31.4647 2.37652 31.4648 -29.6637 GPRESSAVG: 2377000 17.7793 6.72023 0.622045 4.27113 -20.7522 31.6782 3.62855 30.8357 -30.1342 TIMING: 2377000 CPU: 7094.43, 0.00296627/step Wall: 7094.43, 0.00296627/step, 2.16126 hours remaining, 206.476562 MB of memory in use. ENERGY: 2377000 750.4599 2069.7694 1927.8101 98.3935 -206486.7680 17821.6022 0.0000 0.0000 34482.9570 -149335.7759 301.1482 -183818.7329 -149234.8454 298.8187 -91.3261 -56.8876 556716.7839 -10.9136 -11.0357 PRESSURE: 2377200 -18.8628 99.2104 39.6484 99.2098 23.1639 43.8393 39.6488 43.8398 -97.2523 GPRESSURE: 2377200 -7.84909 140.396 -67.5251 71.3071 43.2893 116.501 29.8432 4.08886 -41.3696 PRESSAVG: 2377200 10.1953 -16.8618 -45.8085 -16.8618 -42.5967 4.93035 -45.8086 4.93036 40.0363 GPRESSAVG: 2377200 10.0174 -15.305 -45.1384 -17.6021 -41.9148 5.39622 -46.5701 4.76039 39.5089 TIMING: 2377200 CPU: 7095.02, 0.00294159/step Wall: 7095.02, 0.00294159/step, 2.14311 hours remaining, 206.476562 MB of memory in use. ENERGY: 2377200 759.6836 2042.6351 1942.8438 109.5199 -206123.6699 17586.3003 0.0000 0.0000 34357.1666 -149325.5205 300.0497 -183682.6871 -149229.3856 298.7348 -30.9837 -1.9765 556560.9737 2.5450 2.5372 PRESSURE: 2377400 -131.849 170.646 -55.7852 170.645 -130.118 44.0808 -55.7853 44.0807 136.664 GPRESSURE: 2377400 -60.3409 143.062 -105.914 133.679 -190.296 85.2084 -19.8827 18.7996 223.668 PRESSAVG: 2377400 -0.286081 -4.50373 -42.3765 -4.50373 1.93123 1.89021 -42.3765 1.89008 25.7827 GPRESSAVG: 2377400 0.132748 -6.15201 -43.0283 -3.01334 1.70569 1.76139 -40.113 1.34138 25.5999 TIMING: 2377400 CPU: 7095.61, 0.00296052/step Wall: 7095.61, 0.00296052/step, 2.15674 hours remaining, 206.476562 MB of memory in use. ENERGY: 2377400 760.6081 2057.0176 1947.0912 99.9986 -206057.8986 17675.6241 0.0000 0.0000 34334.1774 -149183.3816 299.8489 -183517.5590 -149081.2527 299.0346 -41.7674 -8.9896 558151.1907 9.1426 9.1461 PRESSURE: 2377600 -207.386 -147.948 -32.9933 -147.947 -120.324 24.1016 -32.993 24.1008 129.344 GPRESSURE: 2377600 -163.075 -68.7788 -50.8879 -123.756 -72.703 72.4686 -39.1044 -16.0025 112.25 PRESSAVG: 2377600 -96.5481 -71.8579 -13.2367 -71.858 -31.149 48.3759 -13.2366 48.3759 104.07 GPRESSAVG: 2377600 -96.4347 -69.1445 -11.8325 -74.2362 -31.779 47.3606 -13.4716 50.3358 104.696 TIMING: 2377600 CPU: 7096.2, 0.00294324/step Wall: 7096.2, 0.00294324/step, 2.14399 hours remaining, 206.476562 MB of memory in use. ENERGY: 2377600 746.8848 2067.3662 1938.4547 97.9581 -206326.3264 17695.1816 0.0000 0.0000 34344.8537 -149435.6273 299.9421 -183780.4810 -149336.2949 298.9003 -66.1219 -41.1760 556036.9315 -7.8758 -7.8393 PRESSURE: 2377800 -83.1965 -188.341 128.682 -188.341 -130.431 -0.0193642 128.682 -0.01941 410.105 GPRESSURE: 2377800 -53.0831 -171.888 38.6849 -206.176 -101.46 -15.7993 184.681 -14.1534 456.875 PRESSAVG: 2377800 -92.7128 -55.6747 26.7484 -55.6746 4.77153 44.0929 26.7484 44.0928 86.7675 GPRESSAVG: 2377800 -92.9753 -57.3977 26.6037 -54.3336 4.59801 44.9095 25.031 42.5195 86.8214 TIMING: 2377800 CPU: 7096.79, 0.00295314/step Wall: 7096.79, 0.00295314/step, 2.15103 hours remaining, 206.476562 MB of memory in use. ENERGY: 2377800 723.6303 2108.8418 1943.8695 115.6695 -206164.5400 17750.4148 0.0000 0.0000 34247.0889 -149275.0253 299.0883 -183522.1141 -149175.9339 298.9208 65.4926 100.7775 555858.9442 -0.3913 -0.5186 PRESSURE: 2378000 -60.5526 31.0563 -17.6383 31.056 -5.52838 77.1714 -17.6382 77.1706 -0.247411 GPRESSURE: 2378000 -14.4625 -64.5578 161.058 18.3368 44.353 77.9863 -45.8052 -18.1997 -7.3922 PRESSAVG: 2378000 -48.6883 -9.09797 -8.77409 -9.09794 -2.98344 -10.999 -8.77413 -10.999 32.7329 GPRESSAVG: 2378000 -48.6631 -6.67415 -7.3753 -10.9696 -3.27066 -12.7314 -8.75198 -9.94639 32.5339 TIMING: 2378000 CPU: 7097.38, 0.00294174/step Wall: 7097.38, 0.00294174/step, 2.14257 hours remaining, 206.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2378000 715.7704 2110.4189 1965.4212 125.6498 -205988.0458 17583.7172 0.0000 0.0000 34407.2105 -149079.8579 300.4867 -183487.0684 -148978.2226 299.2637 -22.1095 7.4994 557022.1741 -6.3130 -6.4666 PRESSURE: 2378200 -476.493 117.062 -74.6217 117.061 -382.229 132.67 -74.6218 132.669 -82.5814 GPRESSURE: 2378200 -391.855 166.247 -42.1905 84.0866 -421.632 119.679 -114.785 114.417 -24.1142 PRESSAVG: 2378200 -57.8368 3.93431 5.14171 3.93443 28.1093 18.1096 5.14177 18.1096 2.36721 GPRESSAVG: 2378200 -56.9454 2.97149 3.16452 6.06535 27.727 19.0633 5.75437 19.2518 1.42533 TIMING: 2378200 CPU: 7097.98, 0.0029848/step Wall: 7097.98, 0.0029848/step, 2.17377 hours remaining, 206.476562 MB of memory in use. ENERGY: 2378200 804.7757 2082.8607 1935.3803 126.4542 -206375.2932 17672.4315 0.0000 0.0000 34507.7202 -149245.6707 301.3645 -183753.3909 -149146.2269 299.6393 -313.7679 -279.2004 558874.7688 -9.1201 -9.2643 PRESSURE: 2378400 192.665 -207.368 -84.0165 -207.37 -93.9561 -63.3213 -84.0172 -63.3228 93.4458 GPRESSURE: 2378400 139.583 -219.515 -125.159 -200.892 -29.9081 -93.466 -101.707 -121.406 188.863 PRESSAVG: 2378400 -27.8924 -31.7711 -38.9542 -31.7711 10.933 -5.19774 -38.9542 -5.19779 38.6993 GPRESSAVG: 2378400 -30.4125 -33.3513 -39.393 -31.8223 12.397 -3.61351 -39.0454 -6.78557 39.6516 TIMING: 2378400 CPU: 7098.57, 0.00297689/step Wall: 7098.57, 0.00297689/step, 2.16784 hours remaining, 206.476562 MB of memory in use. ENERGY: 2378400 758.8125 2092.9861 1935.1972 114.1538 -206143.2686 17973.5204 0.0000 0.0000 34124.8166 -149143.7821 298.0205 -183268.5987 -149056.6262 299.2676 64.0516 99.5128 559411.1694 7.2467 7.2120 PRESSURE: 2378600 185.63 49.5417 59.3673 49.5429 -64.9757 57.706 59.367 57.7062 -56.665 GPRESSURE: 2378600 248.492 69.5201 102.545 -77.3525 -72.3818 79.25 67.0688 63.7027 -12.9323 PRESSAVG: 2378600 -10.9259 2.60189 -9.03003 2.60196 2.89327 -19.8841 -9.03005 -19.884 4.77167 GPRESSAVG: 2378600 -9.99358 3.40351 -9.24714 3.43149 1.36088 -20.2574 -8.36852 -17.5919 5.78925 TIMING: 2378600 CPU: 7099.17, 0.00297815/step Wall: 7099.17, 0.00297814/step, 2.16859 hours remaining, 206.476562 MB of memory in use. ENERGY: 2378600 745.8658 2074.3143 1938.5231 114.5757 -206339.3583 17884.3957 0.0000 0.0000 34514.5387 -149067.1451 301.4241 -183581.6837 -148966.0583 299.5873 21.3297 54.3927 557586.1732 -1.0870 -0.9478 PRESSURE: 2378800 -129.249 30.3087 71.3235 30.3094 90.6584 24.1517 71.3235 24.1495 291.627 GPRESSURE: 2378800 -102.368 -11.5923 107.551 71.1001 121.555 5.83339 52.3632 63.9352 325.006 PRESSAVG: 2378800 -44.392 -5.8177 46.0841 -5.81766 -0.694782 -28.0504 46.0841 -28.0502 27.9927 GPRESSAVG: 2378800 -43.85 -8.08952 48.5402 -5.30953 0.108566 -29.3888 43.7759 -28.9068 26.9406 TIMING: 2378800 CPU: 7099.76, 0.00297524/step Wall: 7099.76, 0.00297524/step, 2.16631 hours remaining, 206.476562 MB of memory in use. ENERGY: 2378800 708.0841 2116.6776 1938.3036 108.2004 -206292.6941 17819.9066 0.0000 0.0000 34397.0590 -149204.4629 300.3981 -183601.5218 -149104.5895 299.2434 84.3454 114.7309 557000.3433 -5.6980 -5.6003 PRESSURE: 2379000 -77.5699 13.9274 -137.134 13.9273 -157.093 -83.8611 -137.134 -83.8595 250.978 GPRESSURE: 2379000 -25.6028 19.0374 -71.3491 31.9653 -123.684 -169.29 -169.986 -25.5454 278.272 PRESSAVG: 2379000 -31.9934 -52.9478 3.10413 -52.9479 48.6972 -9.44055 3.10399 -9.44048 -11.9746 GPRESSAVG: 2379000 -31.2329 -49.8135 -0.362467 -53.1028 47.7419 -8.85546 2.85832 -10.6135 -11.8691 TIMING: 2379000 CPU: 7100.35, 0.00294222/step Wall: 7100.35, 0.00294222/step, 2.1421 hours remaining, 206.476562 MB of memory in use. ENERGY: 2379000 721.0925 2054.3228 1902.5084 126.1173 -206425.4306 17962.3020 0.0000 0.0000 34457.9444 -149201.1433 300.9298 -183659.0876 -149109.0285 299.5259 5.4384 42.9949 558019.1565 1.5764 1.5466 PRESSURE: 2379200 -57.3638 -8.53859 -23.542 -8.53876 -117.447 5.64941 -23.5431 5.65046 106.734 GPRESSURE: 2379200 -0.0388898 57.0714 -98.3154 -5.90852 -80.0069 35.6412 -5.72304 -15.0547 109.203 PRESSAVG: 2379200 -29.4282 -26.0235 -12.8794 -26.0234 50.4414 9.62817 -12.8794 9.62811 -29.3332 GPRESSAVG: 2379200 -29.3573 -27.4124 -11.6608 -26.2354 50.4615 10.9923 -11.1704 8.27427 -29.5063 TIMING: 2379200 CPU: 7100.94, 0.0029604/step Wall: 7100.94, 0.0029604/step, 2.15517 hours remaining, 206.476562 MB of memory in use. ENERGY: 2379200 745.0035 2062.6498 1906.9351 106.3965 -206280.7102 17819.5314 0.0000 0.0000 34242.0884 -149398.1055 299.0447 -183640.1939 -149296.8736 298.7124 -22.6924 9.7190 556244.3245 -2.7734 -2.8007 PRESSURE: 2379400 -30.8299 -129.811 -83.9295 -129.811 -68.7141 37.0875 -83.9287 37.0895 8.26556 GPRESSURE: 2379400 16.2273 -118.125 -68.8742 -123.901 -31.8981 45.2616 -35.2212 72.5971 23.2857 PRESSAVG: 2379400 -36.3421 16.7228 -17.405 16.7229 -10.4378 50.2607 -17.4048 50.2607 18.2716 GPRESSAVG: 2379400 -36.7158 15.9189 -16.9281 16.386 -8.79385 50.1215 -19.9058 52.9472 17.4628 TIMING: 2379400 CPU: 7101.53, 0.00295967/step Wall: 7101.53, 0.00295967/step, 2.15447 hours remaining, 206.476562 MB of memory in use. ENERGY: 2379400 713.3373 2035.5027 1962.0542 108.4313 -206504.0488 17877.5376 0.0000 0.0000 34319.0367 -149488.1489 299.7167 -183807.1856 -149390.1939 298.6524 -30.4262 2.5383 557501.5259 -9.5028 -9.3490 PRESSURE: 2379600 138.267 76.4698 -36.5728 76.4713 222.143 1.00109 -36.5729 1.00238 332.486 GPRESSURE: 2379600 151.394 137.252 -45.7099 21.8246 240.475 27.9309 -28.5216 -10.2635 392.7 PRESSAVG: 2379600 -29.1831 -0.335654 -1.92203 -0.335645 -32.3702 48.7251 -1.92202 48.7251 80.2959 GPRESSAVG: 2379600 -28.7293 0.63711 -3.19454 -0.844808 -33.8768 48.4183 -0.285486 47.9723 81.7322 TIMING: 2379600 CPU: 7102.13, 0.00297631/step Wall: 7102.13, 0.00297631/step, 2.16642 hours remaining, 206.476562 MB of memory in use. ENERGY: 2379600 759.0635 2028.8528 1968.8150 115.7530 -206889.9958 18257.6567 0.0000 0.0000 34136.9423 -149622.9125 298.1264 -183759.8548 -149522.1486 298.3552 230.9653 261.5229 555395.0332 6.2476 6.3754 PRESSURE: 2379800 268.961 1.00241 13.9508 1.00288 104.894 -30.5762 13.9511 -30.5783 2.25779 GPRESSURE: 2379800 310.765 -31.3908 -36.9901 44.7958 135.523 -11.5313 76.3001 -11.5681 32.1624 PRESSAVG: 2379800 -6.26381 37.0733 9.18189 37.0733 -3.31062 -3.32776 9.18181 -3.32787 39.4519 GPRESSAVG: 2379800 -6.88151 37.6281 10.0535 36.8293 -3.02515 -2.9334 9.28135 -4.48068 39.4852 TIMING: 2379800 CPU: 7102.72, 0.00297918/step Wall: 7102.72, 0.00297918/step, 2.16835 hours remaining, 206.476562 MB of memory in use. ENERGY: 2379800 724.5238 2107.5911 1934.2623 128.4833 -206727.7702 18197.9665 0.0000 0.0000 33870.5034 -149764.4398 295.7995 -183634.9432 -149668.5169 297.2476 125.3708 159.4835 556440.5408 9.9592 9.8595 PRESSURE: 2380000 -156.318 79.1145 -131.113 79.1132 22.8671 -48.7314 -131.114 -48.7316 -200.98 GPRESSURE: 2380000 -150.908 94.4022 -96.3585 2.45363 56.4067 -52.449 -180.586 -114.387 -137 PRESSAVG: 2380000 -43.0027 -13.6565 -5.28986 -13.6566 34.6127 11.8551 -5.28983 11.8551 -49.5448 GPRESSAVG: 2380000 -43.369 -14.5085 -3.20021 -13.8461 34.4847 10.1001 -6.73162 12.2773 -49.1415 TIMING: 2380000 CPU: 7103.32, 0.00296416/step Wall: 7103.32, 0.00296416/step, 2.15725 hours remaining, 206.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2380000 709.4552 2071.5019 1945.8329 105.7312 -206389.8673 17794.6566 0.0000 0.0000 34169.2324 -149593.4570 298.4084 -183762.6894 -149496.5908 297.7452 -111.4772 -77.1673 556349.3114 -19.3116 -19.3419 PRESSURE: 2380200 48.969 -127.85 -21.1964 -127.848 258.275 102.051 -21.196 102.052 -90.9411 GPRESSURE: 2380200 18.6864 -201.86 34.4477 -109.636 283.349 101.678 -6.32083 132.127 11.7291 PRESSAVG: 2380200 -39.2427 4.23191 -31.3823 4.23194 46.9855 -24.6273 -31.3823 -24.6273 -6.2308 GPRESSAVG: 2380200 -38.4697 3.20471 -30.8981 5.96335 46.3268 -22.3861 -29.6442 -24.4527 -6.87482 TIMING: 2380200 CPU: 7103.91, 0.00297639/step Wall: 7103.91, 0.00297639/step, 2.16599 hours remaining, 206.476562 MB of memory in use. ENERGY: 2380200 744.1789 2072.0174 1920.9963 122.9319 -206929.4509 18102.4236 0.0000 0.0000 34240.0242 -149726.8784 299.0266 -183966.9027 -149630.6463 298.1081 72.1010 104.5881 557067.5069 0.5040 0.3274 LDB: ============= START OF LOAD BALANCING ============== 7107.46 LDB: ============== END OF LOAD BALANCING =============== 7107.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7107.46 LDB: ============= START OF LOAD BALANCING ============== 7107.76 LDB: Largest compute 4773 load 0.030276 is 25.6% of average load 0.118267 LDB: Average compute 0.001734 is 1.5% of average load 0.118267 LDB: TIME 7107.76 LOAD: AVG 0.118267 MAX 0.202009 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.762 MB LDB: TIME 7107.76 LOAD: AVG 0.118267 MAX 0.202009 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.762 MB LDB: TIME 7107.76 LOAD: AVG 0.118267 MAX 0.202009 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7107.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7107.77 PRESSURE: 2380400 196.468 85.9966 28.2297 85.9949 -119.444 50.2096 28.23 50.2097 287.551 GPRESSURE: 2380400 221.545 114.003 66.5483 51.099 -80.5404 -49.7926 80.6899 28.7111 309.597 PRESSAVG: 2380400 -13.5841 -5.86359 7.8193 -5.86356 40.7737 2.09822 7.81918 2.09821 -21.0837 GPRESSAVG: 2380400 -13.1537 -4.37156 4.9977 -4.73578 40.7252 0.785393 9.62166 0.548314 -21.4649 TIMING: 2380400 CPU: 7104.52, 0.00302436/step Wall: 7104.52, 0.00302436/step, 2.20073 hours remaining, 207.351562 MB of memory in use. ENERGY: 2380400 735.4013 2118.0306 1915.5637 116.5043 -206734.3970 18134.0210 0.0000 0.0000 34003.6227 -149711.2534 296.9621 -183714.8761 -149612.8754 298.4789 121.5251 150.2006 557315.3739 2.0353 2.0355 PRESSURE: 2380600 121.316 -14.681 -256.691 -14.6794 105.651 21.5008 -256.691 21.5015 -226.066 GPRESSURE: 2380600 122.731 88.0012 -229.566 -92.9708 117.427 -34.3154 -209.237 43.1987 -144.746 PRESSAVG: 2380600 -18.9423 -9.87801 -7.88334 -9.87794 24.5289 10.4259 -7.88327 10.4258 -30.5778 GPRESSAVG: 2380600 -18.4594 -10.745 -6.13225 -11.8181 23.2321 12.766 -9.59769 11.2757 -29.9263 TIMING: 2380600 CPU: 7105.11, 0.00296473/step Wall: 7105.11, 0.00296473/step, 2.15717 hours remaining, 207.351562 MB of memory in use. ENERGY: 2380600 747.8949 2093.5482 1928.4084 116.5403 -206577.8359 17880.7559 0.0000 0.0000 33996.1909 -149814.4973 296.8972 -183810.6881 -149715.2106 296.8732 0.3005 31.8041 558936.1425 -8.3304 -8.3845 PRESSURE: 2380800 195.256 -49.4919 -10.883 -49.4926 83.8616 -135.774 -10.882 -135.776 39.1638 GPRESSURE: 2380800 217.391 -39.797 -62.1297 52.5137 129.747 -108.779 62.6621 -85.4861 70.7643 PRESSAVG: 2380800 15.6029 8.89671 1.27247 8.89675 19.8148 -24.3343 1.2724 -24.3343 -60.6722 GPRESSAVG: 2380800 14.0183 11.0766 1.11472 9.27435 21.9398 -26.5392 3.30335 -23.7566 -61.1256 TIMING: 2380800 CPU: 7105.71, 0.00298082/step Wall: 7105.71, 0.00298082/step, 2.16871 hours remaining, 207.351562 MB of memory in use. ENERGY: 2380800 765.4168 2095.8636 1926.5723 95.8900 -206604.3714 18026.6542 0.0000 0.0000 34021.2565 -149672.7180 297.1161 -183693.9745 -149572.7144 297.1753 106.0939 139.3008 555961.1370 -8.4182 -8.3891 PRESSURE: 2381000 171.233 61.8792 50.3993 61.8784 -186.975 176.025 50.4006 176.025 45.511 GPRESSURE: 2381000 170.857 -9.18111 38.109 67.189 -138.78 82.8117 89.0668 259.073 97.8647 PRESSAVG: 2381000 27.4147 -6.01075 18.0188 -6.0108 7.38051 13.3715 18.0188 13.3715 17.4651 GPRESSAVG: 2381000 27.4992 -6.51383 18.5811 -6.65335 7.30592 14.7076 15.8132 10.8342 17.4791 TIMING: 2381000 CPU: 7106.3, 0.00294213/step Wall: 7106.3, 0.00294213/step, 2.1404 hours remaining, 207.351562 MB of memory in use. ENERGY: 2381000 733.0090 2086.7623 1935.9305 119.4095 -206906.6897 18118.1424 0.0000 0.0000 34232.3371 -149681.0989 298.9595 -183913.4360 -149587.3275 298.4673 9.9227 43.3138 557360.7101 17.4201 17.4281 PRESSURE: 2381200 -203.112 10.8619 129.137 10.8618 140.326 -112.963 129.138 -112.963 -78.4775 GPRESSURE: 2381200 -127.011 13.97 116.636 32.7505 145.439 -2.93398 230.469 -188.497 -72.5467 PRESSAVG: 2381200 38.3524 0.800089 41.06 0.800154 17.3184 19.509 41.06 19.5091 -70.5752 GPRESSAVG: 2381200 38.043 -2.34084 40.1214 0.367919 18.0078 19.7705 40.3407 19.5418 -70.6124 TIMING: 2381200 CPU: 7106.88, 0.00293559/step Wall: 7106.88, 0.00293559/step, 2.13548 hours remaining, 207.351562 MB of memory in use. ENERGY: 2381200 755.4350 2125.6128 1911.9495 110.7036 -206431.6230 17851.5452 0.0000 0.0000 33977.7979 -149698.5789 296.7366 -183676.3768 -149604.3815 298.4756 -47.0879 -18.0397 557352.3355 -4.9682 -4.8539 PRESSURE: 2381400 92.1007 -113.774 -18.4611 -113.775 -302.092 -149.503 -18.462 -149.503 27.5952 GPRESSURE: 2381400 72.6382 -66.573 -91.0896 -175.272 -257.232 -160.676 -39.2129 -234.582 91.083 PRESSAVG: 2381400 12.3116 -34.7948 -23.674 -34.7948 -63.7838 9.07054 -23.6739 9.07048 50.039 GPRESSAVG: 2381400 13.4449 -34.998 -22.1247 -31.5156 -65.5442 6.03226 -25.876 11.6519 50.7668 TIMING: 2381400 CPU: 7107.47, 0.00295954/step Wall: 7107.47, 0.00295954/step, 2.15274 hours remaining, 207.351562 MB of memory in use. ENERGY: 2381400 734.4358 2165.5161 1918.2517 111.1161 -206695.0127 17894.6274 0.0000 0.0000 34061.6342 -149809.4314 297.4687 -183871.0656 -149710.5796 298.5157 -60.7987 -31.1704 558043.2598 -0.4777 -0.4442 PRESSURE: 2381600 -44.8496 155.645 24.741 155.644 -50.9036 29.4282 24.7408 29.4272 -78.1022 GPRESSURE: 2381600 -1.37616 184.243 85.4312 49.3856 -45.8284 -19.637 125.597 -39.8016 -42.1033 PRESSAVG: 2381600 -12.1662 14.8165 12.4945 14.8164 -35.3517 -10.8136 12.4946 -10.8136 38.8776 GPRESSAVG: 2381600 -11.8623 13.5898 11.6976 14.238 -35.3138 -7.98739 12.9859 -12.6664 37.8052 TIMING: 2381600 CPU: 7108.07, 0.00297254/step Wall: 7108.07, 0.00297254/step, 2.16203 hours remaining, 207.351562 MB of memory in use. ENERGY: 2381600 739.6303 2069.8805 1961.0508 111.2594 -206883.0652 17981.9250 0.0000 0.0000 34212.0199 -149807.2992 298.7821 -184019.3191 -149706.3303 297.8784 -57.9518 -29.7693 555530.7188 -2.8801 -3.1236 PRESSURE: 2381800 -27.8897 -23.2737 -50.0829 -23.2732 -41.0145 4.05153 -50.0823 4.05289 -147.928 GPRESSURE: 2381800 12.0326 -44.31 -92.6846 -28.8521 65.3105 7.47606 22.8361 40.8337 -198.965 PRESSAVG: 2381800 15.5985 -15.7537 21.2183 -15.7538 -15.9388 -25.1357 21.2182 -25.1356 -26.879 GPRESSAVG: 2381800 15.9711 -13.0992 20.5622 -17.2211 -15.293 -25.5241 20.8788 -25.7896 -27.598 TIMING: 2381800 CPU: 7108.66, 0.00296128/step Wall: 7108.66, 0.00296128/step, 2.15367 hours remaining, 207.351562 MB of memory in use. ENERGY: 2381800 778.4786 2078.1495 1942.2103 102.8758 -206844.5417 18062.6857 0.0000 0.0000 34000.3990 -149879.7427 296.9339 -183880.1417 -149782.4809 297.4022 -72.2776 -40.5406 556460.8830 -9.0731 -8.9733 PRESSURE: 2382000 -92.1479 -37.555 -30.0226 -37.5549 -222.65 15.3668 -30.0228 15.3695 -70.7753 GPRESSURE: 2382000 -42.8741 -31.4602 -57.2632 53.6371 -221.22 24.9738 8.85534 -64.5385 -20.8518 PRESSAVG: 2382000 15.7311 -9.97306 -15.3178 -9.97307 43.8139 5.04116 -15.3178 5.04113 -70.951 GPRESSAVG: 2382000 16.1563 -11.268 -15.6409 -9.45456 43.8289 4.9518 -10.7409 8.85816 -70.8517 TIMING: 2382000 CPU: 7109.25, 0.00296496/step Wall: 7109.25, 0.00296496/step, 2.15618 hours remaining, 207.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2382000 778.8512 2092.9360 1932.1376 113.8131 -206359.5595 17653.5698 0.0000 0.0000 33911.0496 -149877.2022 296.1536 -183788.2518 -149773.8188 297.1568 -128.5242 -94.9821 557093.6690 -3.8020 -3.6222 PRESSURE: 2382200 88.0219 -144.324 -58.5084 -144.323 -103.17 -5.2318 -58.5087 -5.23259 208.522 GPRESSURE: 2382200 128.473 -256.621 -86.8008 -147.45 -95.6203 -90.2236 -104.211 16.5149 243.785 PRESSAVG: 2382200 56.156 30.584 -40.7382 30.584 24.3636 -9.57673 -40.7382 -9.57678 -37.7748 GPRESSAVG: 2382200 56.4149 30.2147 -40.4195 30.4425 24.0566 -8.4384 -42.8557 -11.6961 -37.5281 TIMING: 2382200 CPU: 7109.85, 0.00298395/step Wall: 7109.85, 0.00298395/step, 2.16983 hours remaining, 207.351562 MB of memory in use. ENERGY: 2382200 762.8391 2096.2659 1914.6050 119.8865 -206579.1103 17950.0702 0.0000 0.0000 33948.5989 -149786.8446 296.4816 -183735.4435 -149690.8315 297.1721 64.4581 92.2125 556962.9977 14.2483 14.3145 PRESSURE: 2382400 -76.3902 -139.795 33.1145 -139.795 212.69 105.198 33.1139 105.197 35.1385 GPRESSURE: 2382400 -59.3337 -88.4906 45.1567 -134.354 274.556 64.7319 139.744 45.0068 61.1446 PRESSAVG: 2382400 -29.0331 -41.4352 -5.80955 -41.4351 59.3673 38.0062 -5.80949 38.0061 -56.349 GPRESSAVG: 2382400 -31.063 -41.2896 -5.85131 -39.322 59.8392 35.3589 -4.9317 40.9701 -54.8019 TIMING: 2382400 CPU: 7110.44, 0.00296997/step Wall: 7110.44, 0.00296996/step, 2.15949 hours remaining, 207.351562 MB of memory in use. ENERGY: 2382400 782.4177 2071.4583 1916.8650 113.7911 -206574.4682 18027.9655 0.0000 0.0000 33917.0386 -149744.9319 296.2059 -183661.9706 -149651.1042 297.0192 57.1463 92.1223 556138.2518 -8.6716 -8.6752 PRESSURE: 2382600 60.22 64.8607 -75.9156 64.861 -14.7974 27.8122 -75.9162 27.8129 131.859 GPRESSURE: 2382600 133.389 97.0711 1.33286 19.3384 -44.3829 -33.0484 -146.72 55.9928 190.449 PRESSAVG: 2382600 -64.5417 -5.15418 -40.324 -5.15412 23.0332 23.172 -40.3238 23.1721 27.4204 GPRESSAVG: 2382600 -63.5963 -2.96139 -40.4896 -8.40728 23.4804 25.4349 -41.0025 22.5573 25.6714 TIMING: 2382600 CPU: 7111.04, 0.0029673/step Wall: 7111.04, 0.0029673/step, 2.15739 hours remaining, 207.351562 MB of memory in use. ENERGY: 2382600 718.6456 2051.4327 1909.8259 127.5782 -206780.6934 18090.2632 0.0000 0.0000 34314.9765 -149567.9713 299.6812 -183882.9478 -149468.1087 297.7089 59.0939 93.1517 557388.8611 -4.6960 -4.8148 PRESSURE: 2382800 -63.8724 125.901 31.065 125.9 185.153 108.598 31.0644 108.597 -53.1411 GPRESSURE: 2382800 -62.6282 171.424 74.4234 131.736 250.916 70.7034 -39.0789 90.4092 -24.0996 PRESSAVG: 2382800 -58.1687 -2.45259 -29.0947 -2.45253 105.317 -27.3825 -29.0946 -27.3824 -16.3991 GPRESSAVG: 2382800 -57.4912 -2.97451 -26.8872 -1.14884 105.024 -28.3399 -31.4971 -28.2498 -16.8882 TIMING: 2382800 CPU: 7111.63, 0.0029596/step Wall: 7111.63, 0.0029596/step, 2.15163 hours remaining, 207.351562 MB of memory in use. ENERGY: 2382800 714.7087 2052.3186 1923.4497 103.0921 -206120.4196 17724.8343 0.0000 0.0000 34169.2786 -149432.7375 298.4088 -183602.0161 -149330.5077 298.4494 22.7131 54.7293 556345.0967 10.2497 10.2148 PRESSURE: 2383000 14.4467 -15.3163 31.8728 -15.3169 374.051 68.1562 31.8736 68.154 21.422 GPRESSURE: 2383000 69.9296 -57.3686 46.9527 -88.7079 408.487 80.8439 -13.5793 46.5073 20.2028 PRESSAVG: 2383000 -31.7829 41.5017 -53.8007 41.5018 36.3452 7.36006 -53.8007 7.36013 -19.7997 GPRESSAVG: 2383000 -32.0159 40.3595 -53.3394 40.9926 36.3905 9.22375 -52.3296 6.38753 -19.5207 TIMING: 2383000 CPU: 7112.22, 0.00295449/step Wall: 7112.22, 0.00295449/step, 2.14775 hours remaining, 207.351562 MB of memory in use. ENERGY: 2383000 744.5531 2080.3845 1925.0958 117.9129 -206488.2005 18040.7109 0.0000 0.0000 34065.9176 -149513.6256 297.5061 -183579.5433 -149419.8537 298.1552 136.6398 166.2064 556233.7561 -5.0792 -5.0487 PRESSURE: 2383200 -156.124 -71.1412 -87.3732 -71.1419 38.2883 128.047 -87.3723 128.049 -4.27999 GPRESSURE: 2383200 -108.248 -116.507 -26.463 -96.1877 57.6375 162.396 -56.1026 105.265 13.0686 PRESSAVG: 2383200 -29.7833 -41.5869 17.564 -41.5868 16.3487 -0.979594 17.564 -0.979532 11.4614 GPRESSAVG: 2383200 -28.1968 -41.3296 15.6325 -41.4907 15.7316 -2.60606 18.4314 0.385149 10.5937 TIMING: 2383200 CPU: 7112.81, 0.00295656/step Wall: 7112.81, 0.00295656/step, 2.14909 hours remaining, 207.351562 MB of memory in use. ENERGY: 2383200 781.1373 2093.9260 1901.4795 110.1881 -206547.3169 17796.4273 0.0000 0.0000 34175.1480 -149689.0108 298.4601 -183864.1588 -149591.9245 297.9352 -40.7052 -12.5140 555966.1355 -0.6578 -0.6238 PRESSURE: 2383400 59.7986 96.1998 135.711 96.1993 15.729 -177.274 135.71 -177.273 -65.3936 GPRESSURE: 2383400 70.862 136.097 197.084 106.328 65.888 -127.119 58.8336 -212.174 -27.011 PRESSAVG: 2383400 65.7661 -15.1584 -19.2838 -15.1584 12.0191 -11.5234 -19.2837 -11.5233 -76.2183 GPRESSAVG: 2383400 63.8526 -15.7318 -20.082 -13.8308 12.2638 -10.6589 -20.9549 -12.1678 -74.8178 TIMING: 2383400 CPU: 7113.4, 0.00293311/step Wall: 7113.4, 0.00293311/step, 2.13188 hours remaining, 207.351562 MB of memory in use. ENERGY: 2383400 757.7472 2080.5104 1893.1036 113.5750 -206307.6227 17669.3122 0.0000 0.0000 34182.3179 -149611.0565 298.5227 -183793.3744 -149507.0333 298.0829 3.3780 36.5797 556388.1157 0.5223 0.4329 PRESSURE: 2383600 69.2705 -53.2488 124.317 -53.2484 27.2201 -3.0938 124.317 -3.09436 148.392 GPRESSURE: 2383600 50.9203 -101.156 119.443 96.2632 74.6854 -59.01 -33.0403 13.3558 211.897 PRESSAVG: 2383600 61.4641 -50.3324 -53.4867 -50.3323 60.0405 -40.921 -53.4866 -40.9209 -89.9762 GPRESSAVG: 2383600 61.1238 -51.1735 -53.8988 -50.2429 61.0202 -42.3437 -51.5081 -39.6063 -90.2552 TIMING: 2383600 CPU: 7113.99, 0.00294299/step Wall: 7113.99, 0.00294299/step, 2.1389 hours remaining, 207.351562 MB of memory in use. ENERGY: 2383600 779.0266 2120.1629 1916.0380 113.6456 -206752.1126 18029.1448 0.0000 0.0000 34152.5383 -149641.5564 298.2626 -183794.0947 -149550.1318 298.3991 81.6274 112.5010 555346.0127 10.5095 10.6296 PRESSURE: 2383800 137.1 -37.3241 29.3263 -37.3245 -253.064 -13.8028 29.3258 -13.8028 -202.906 GPRESSURE: 2383800 126.516 -2.69252 13.0726 -17.0482 -222.539 -3.37891 62.8068 -31.8067 -127.376 PRESSAVG: 2383800 63.2732 -23.8273 25.386 -23.8274 -52.1508 12.8896 25.3861 12.8896 13.4112 GPRESSAVG: 2383800 63.0169 -22.5032 26.3403 -24.0839 -52.7186 13.2933 22.5902 12.1386 13.8859 TIMING: 2383800 CPU: 7114.58, 0.00294175/step Wall: 7114.58, 0.00294175/step, 2.13784 hours remaining, 207.351562 MB of memory in use. ENERGY: 2383800 743.7621 2081.2491 1946.8502 112.9754 -206074.3446 17461.9323 0.0000 0.0000 34164.2602 -149563.3152 298.3650 -183727.5754 -149477.7198 298.4701 -106.2899 -74.4666 555961.9762 8.1779 8.0614 PRESSURE: 2384000 242.399 273.997 -106.284 273.998 146.721 70.2679 -106.285 70.2684 -36.3632 GPRESSURE: 2384000 302.886 291.147 -130.964 292.826 146.996 138.048 5.55805 98.753 -2.68742 PRESSAVG: 2384000 27.9136 -36.701 12.0968 -36.7011 0.435734 19.3435 12.0968 19.3433 -54.6879 GPRESSAVG: 2384000 29.7325 -35.8108 12.6854 -38.2936 -0.867457 18.0069 14.298 21.5121 -54.7479 TIMING: 2384000 CPU: 7115.17, 0.00296008/step Wall: 7115.17, 0.00296007/step, 2.15099 hours remaining, 207.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2384000 766.7574 2097.3599 1923.3466 103.3819 -206678.9897 18083.2582 0.0000 0.0000 34199.8559 -149505.0299 298.6758 -183704.8858 -149416.6104 298.5110 117.5857 149.0646 556581.3301 -8.7795 -8.6276 PRESSURE: 2384200 138.626 -101.118 -139.55 -101.118 99.7404 -7.23058 -139.549 -7.23017 -66.1176 GPRESSURE: 2384200 166.842 -120.772 -128.047 -38.8377 183.325 9.27958 -132.711 77.0861 -93.7244 PRESSAVG: 2384200 -0.817422 -14.5665 -29.0088 -14.5665 34.4181 -17.3462 -29.0089 -17.3463 -10.09 GPRESSAVG: 2384200 -0.143727 -15.0672 -29.0259 -15.3492 34.8611 -14.7105 -29.0766 -20.5655 -10.554 TIMING: 2384200 CPU: 7115.76, 0.00294191/step Wall: 7115.76, 0.00294191/step, 2.13762 hours remaining, 207.351562 MB of memory in use. ENERGY: 2384200 742.4541 2091.6652 1932.8311 112.8086 -206407.0954 17958.4000 0.0000 0.0000 34181.8195 -149387.1169 298.5183 -183568.9363 -149286.2787 298.5607 57.4163 85.4808 557105.2074 7.8369 8.0545 LDB: ============= START OF LOAD BALANCING ============== 7119.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7119.3 LDB: =============== DONE WITH MIGRATION ================ 7119.3 LDB: ============= START OF LOAD BALANCING ============== 7119.6 LDB: Largest compute 4773 load 0.028749 is 24.3% of average load 0.118259 LDB: Average compute 0.001727 is 1.5% of average load 0.118259 LDB: TIME 7119.6 LOAD: AVG 0.118259 MAX 0.200739 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.203 MB LDB: TIME 7119.61 LOAD: AVG 0.118259 MAX 0.200739 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.207 MB LDB: TIME 7119.61 LOAD: AVG 0.118259 MAX 0.200739 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.207 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7119.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7119.61 PRESSURE: 2384400 -207.056 78.4844 -23.0299 78.4849 -345.352 83.0468 -23.0306 83.0477 4.81784 GPRESSURE: 2384400 -184.383 88.0232 -22.2176 27.6133 -316.406 81.9423 -32.6676 50.3143 61.984 PRESSAVG: 2384400 -1.24797 -34.4162 -57.9961 -34.4163 -16.9579 9.65016 -57.9962 9.65012 30.9929 GPRESSAVG: 2384400 -1.76938 -33.3287 -58.703 -33.387 -16.524 6.96911 -57.8838 11.7064 31.5283 TIMING: 2384400 CPU: 7116.36, 0.00302537/step Wall: 7116.36, 0.00302537/step, 2.1981 hours remaining, 209.277344 MB of memory in use. ENERGY: 2384400 738.2773 2068.5487 1907.1696 115.4090 -205880.1636 17590.1678 0.0000 0.0000 34198.2860 -149262.3052 298.6621 -183460.5912 -149163.2702 298.2037 -182.5303 -146.2683 558663.1406 4.2623 4.4117 PRESSURE: 2384600 -93.237 -178.928 47.5532 -178.928 -145.989 -46.2988 47.5538 -46.2971 -125.015 GPRESSURE: 2384600 -46.4413 -174.345 19.8105 -165.544 -69.941 -60.7239 3.35535 -12.3708 -152.127 PRESSAVG: 2384600 24.9568 9.73411 5.36626 9.73413 -24.0568 2.20931 5.3662 2.20933 29.0564 GPRESSAVG: 2384600 25.1469 8.22104 6.84514 8.96194 -22.459 3.49407 6.4334 1.0084 27.202 TIMING: 2384600 CPU: 7116.95, 0.00295243/step Wall: 7116.95, 0.00295243/step, 2.14494 hours remaining, 209.277344 MB of memory in use. ENERGY: 2384600 748.8825 2076.9005 1925.8607 116.6980 -206207.1298 17767.7286 0.0000 0.0000 34342.6982 -149228.3613 299.9233 -183571.0596 -149125.9709 298.8838 -121.4136 -89.5031 558365.8296 9.9855 9.9633 PRESSURE: 2384800 -142.444 -146.469 -224.272 -146.469 -53.4256 58.1475 -224.271 58.1487 79.5159 GPRESSURE: 2384800 -101.519 -188.917 -155.679 -128.204 17.3174 116.418 -203.944 35.4127 61.6712 PRESSAVG: 2384800 4.01497 -45.6412 -42.2404 -45.6411 -34.6296 -70.6047 -42.2405 -70.6047 58.6319 GPRESSAVG: 2384800 3.1318 -44.2352 -41.633 -45.3025 -34.753 -67.9496 -44.3555 -72.5014 59.5964 TIMING: 2384800 CPU: 7117.54, 0.00292636/step Wall: 7117.54, 0.00292636/step, 2.12584 hours remaining, 209.277344 MB of memory in use. ENERGY: 2384800 711.0698 2056.3467 1940.4803 110.7101 -206118.5410 17703.9710 0.0000 0.0000 34116.0727 -149479.8904 297.9441 -183595.9630 -149378.3235 298.9184 -38.7844 -7.5100 558598.1025 9.3391 9.3250 PRESSURE: 2385000 -5.09629 -146.909 -105.54 -146.909 -234.803 75.8012 -105.539 75.8012 -232.196 GPRESSURE: 2385000 4.04992 -24.6224 -138.317 -133.828 -184.382 1.48223 -95.9041 151.456 -201.602 PRESSAVG: 2385000 2.70556 -15.3748 -63.3525 -15.3749 -23.8742 1.69378 -63.3525 1.69371 17.662 GPRESSAVG: 2385000 2.49413 -15.8541 -64.6721 -16.2873 -24.5243 -0.478898 -61.0475 2.86861 18.6667 TIMING: 2385000 CPU: 7118.13, 0.00296806/step Wall: 7118.13, 0.00296806/step, 2.15596 hours remaining, 209.277344 MB of memory in use. ENERGY: 2385000 712.3964 2070.8811 1910.9384 108.8721 -205474.9514 17407.5271 0.0000 0.0000 34012.9095 -149251.4268 297.0432 -183264.3363 -149161.1451 297.9212 -157.3651 -127.3113 557981.1438 -1.1689 -1.1211 PRESSURE: 2385200 -25.0959 94.7712 -44.0109 94.7698 -88.9842 -258.243 -44.0112 -258.244 92.7805 GPRESSURE: 2385200 5.46239 123.913 -30.8005 55.2171 -66.9877 -238.986 -25.9488 -238.805 134.055 PRESSAVG: 2385200 51.862 4.28713 1.44855 4.28714 -35.8287 -31.881 1.44869 -31.881 -16.4171 GPRESSAVG: 2385200 52.6452 4.00771 2.74556 5.17827 -35.6773 -29.4183 -1.71659 -33.1962 -17.0722 TIMING: 2385200 CPU: 7118.73, 0.00302006/step Wall: 7118.73, 0.00302006/step, 2.19357 hours remaining, 209.277344 MB of memory in use. ENERGY: 2385200 741.0959 2067.4461 1935.6335 113.1730 -205797.3431 17551.4552 0.0000 0.0000 34221.5259 -149167.0135 298.8651 -183388.5394 -149071.6967 298.7315 -7.0999 24.1766 556875.3942 -0.1279 -0.0348 PRESSURE: 2385400 160.001 -90.347 42.7178 -90.3473 376.191 -112.227 42.7181 -112.228 90.7977 GPRESSURE: 2385400 180.751 -3.64467 65.1624 -113.621 405.95 -81.0865 2.29453 -167.707 130.969 PRESSAVG: 2385400 -31.6225 -22.6004 -38.6497 -22.6003 -18.4129 -23.2356 -38.6497 -23.2358 68.5964 GPRESSAVG: 2385400 -30.2717 -23.4157 -40.0183 -22.4673 -19.2347 -25.7253 -38.7755 -22.581 68.306 TIMING: 2385400 CPU: 7119.33, 0.00298988/step Wall: 7119.33, 0.00298988/step, 2.17148 hours remaining, 209.277344 MB of memory in use. ENERGY: 2385400 747.0414 2062.4182 1908.0330 121.7222 -206595.5121 18199.8572 0.0000 0.0000 34327.5531 -149228.8871 299.7911 -183556.4402 -149134.4321 299.0976 208.9966 239.2234 557520.9296 6.1870 6.2665 PRESSURE: 2385600 -297.207 15.2066 88.9046 15.2072 -52.6732 77.1595 88.9062 77.1606 -233.935 GPRESSURE: 2385600 -256.155 14.6565 88.9887 35.733 -40.0747 16.0693 135.974 108.967 -198.997 PRESSAVG: 2385600 -15.1311 -34.742 -20.0285 -34.742 3.1067 6.06722 -20.0285 6.0673 16.6712 GPRESSAVG: 2385600 -16.2658 -33.9445 -20.1257 -34.8291 4.18798 6.40044 -19.3776 9.40058 16.8698 TIMING: 2385600 CPU: 7119.93, 0.0029833/step Wall: 7119.93, 0.0029833/step, 2.16654 hours remaining, 209.277344 MB of memory in use. ENERGY: 2385600 742.4852 2107.8563 1931.5225 94.8892 -206097.4306 17660.9608 0.0000 0.0000 34336.7076 -149223.0090 299.8710 -183559.7166 -149130.8478 299.7715 -194.6050 -165.0756 557106.4231 1.5489 1.5973 PRESSURE: 2385800 46.6679 32.9883 -21.1341 32.9874 -51.5324 -101.377 -21.1338 -101.378 -41.411 GPRESSURE: 2385800 56.7535 102.547 -10.7115 -45.9204 -28.8859 -129.339 -73.6672 -147.431 20.4681 PRESSAVG: 2385800 38.9076 -13.8887 -40.8487 -13.8886 -12.3001 -9.05519 -40.8489 -9.05525 -50.2946 GPRESSAVG: 2385800 39.4703 -13.5145 -40.1045 -10.8984 -13.2435 -10.1 -39.852 -11.9096 -49.7195 TIMING: 2385800 CPU: 7120.52, 0.00296607/step Wall: 7120.52, 0.00296607/step, 2.15386 hours remaining, 209.277344 MB of memory in use. ENERGY: 2385800 764.3074 2091.6852 1938.5777 112.8004 -206313.4068 17746.8763 0.0000 0.0000 34288.0009 -149371.1589 299.4456 -183659.1598 -149281.2893 298.9446 -15.4252 16.1119 556198.4393 -7.8957 -7.8309 PRESSURE: 2386000 82.5055 22.5276 40.3729 22.5282 -91.2423 1.92643 40.3719 1.92793 26.7445 GPRESSURE: 2386000 86.8337 87.5169 43.9999 5.42228 -37.082 -16.1364 -50.4443 23.8301 64.4156 PRESSAVG: 2386000 4.91559 -5.0458 26.7837 -5.04591 -16.1785 10.0618 26.7836 10.0619 30.9595 GPRESSAVG: 2386000 4.54401 -4.64962 25.2035 -6.8921 -15.2829 9.55991 26.0491 11.2293 30.4378 TIMING: 2386000 CPU: 7121.12, 0.00296883/step Wall: 7121.12, 0.00296882/step, 2.1557 hours remaining, 209.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2386000 727.2530 2013.3541 1916.8236 113.8293 -206182.7860 17774.0805 0.0000 0.0000 34380.7845 -149256.6611 300.2559 -183637.4455 -149151.5600 299.4383 6.0025 38.0558 556143.9454 6.5655 6.5663 PRESSURE: 2386200 101.633 -8.85579 -49.5097 -8.856 -62.2944 116.279 -49.508 116.278 102.898 GPRESSURE: 2386200 156.129 -18.5052 -118.049 18.3499 -48.1313 129.42 -21.4922 95.0281 137.569 PRESSAVG: 2386200 -42.6637 41.6206 13.7155 41.6208 -25.7473 56.5862 13.7157 56.5861 75.7624 GPRESSAVG: 2386200 -41.1269 40.8747 14.6177 42.1039 -25.7932 56.6142 12.4934 55.8062 74.7 TIMING: 2386200 CPU: 7121.71, 0.00297323/step Wall: 7121.71, 0.00297323/step, 2.15873 hours remaining, 209.277344 MB of memory in use. ENERGY: 2386200 758.1092 2070.0677 1949.8950 106.5862 -206398.2973 17939.5530 0.0000 0.0000 34502.6747 -149071.4115 301.3204 -183574.0863 -148982.4040 299.8641 47.4123 81.8557 557271.9805 2.4504 2.5933 PRESSURE: 2386400 -45.9043 -23.0194 149.098 -23.0183 -151.063 -5.76657 149.098 -5.76723 94.1202 GPRESSURE: 2386400 -14.2269 -3.41599 113.014 -42.3742 -96.4555 -22.3763 188.702 -94.0915 99.8183 PRESSAVG: 2386400 17.9258 -0.457959 -11.3833 -0.457954 -14.8155 6.42797 -11.3831 6.4279 -6.67786 GPRESSAVG: 2386400 16.3551 0.215244 -11.6289 -0.432192 -13.9912 7.02331 -10.6766 8.53824 -5.87039 TIMING: 2386400 CPU: 7122.31, 0.00298452/step Wall: 7122.31, 0.00298452/step, 2.16676 hours remaining, 209.535156 MB of memory in use. ENERGY: 2386400 735.8015 2082.5601 1927.7975 117.1369 -205992.1992 17671.5707 0.0000 0.0000 34469.7915 -148987.5408 301.0333 -183457.3323 -148892.8221 300.5372 -34.2824 -3.6214 556898.5720 -1.1892 -1.1688 PRESSURE: 2386600 123.352 83.3906 151.39 83.3894 182.705 147.827 151.389 147.827 -114.375 GPRESSURE: 2386600 172.058 31.1832 159.677 115.624 214.266 184.7 162.569 112.205 -90.9853 PRESSAVG: 2386600 87.6335 5.42765 7.44166 5.42768 -40.3503 14.7734 7.44175 14.7734 -53.4736 GPRESSAVG: 2386600 88.1496 4.65473 6.50555 8.11642 -40.9683 16.3023 8.69556 12.6594 -53.2728 TIMING: 2386600 CPU: 7122.9, 0.00295476/step Wall: 7122.9, 0.00295476/step, 2.14499 hours remaining, 209.535156 MB of memory in use. ENERGY: 2386600 733.8826 2029.3284 1927.5675 117.2174 -205962.1484 17808.0831 0.0000 0.0000 34490.3003 -148855.7689 301.2124 -183346.0693 -148757.4730 300.3735 63.8938 98.4464 557593.8919 -2.0635 -2.0305 PRESSURE: 2386800 -217.665 57.2873 11.0054 57.2871 -92.6142 -27.9886 11.0067 -27.9878 55.3111 GPRESSURE: 2386800 -190.806 81.012 33.0433 -1.4686 -21.8357 -110.379 39.3345 23.2346 59.4322 PRESSAVG: 2386800 21.9463 36.7231 -4.95294 36.723 -59.1693 -19.3382 -4.95295 -19.3382 18.614 GPRESSAVG: 2386800 20.994 37.8594 -3.60968 34.0087 -58.3362 -21.0614 -7.64116 -17.803 18.4788 TIMING: 2386800 CPU: 7123.49, 0.00295519/step Wall: 7123.49, 0.00295519/step, 2.14514 hours remaining, 209.535156 MB of memory in use. ENERGY: 2386800 814.5921 2124.4083 1945.6008 129.9406 -206208.1905 17778.9502 0.0000 0.0000 34425.7984 -148988.9001 300.6491 -183414.6985 -148896.9054 300.2403 -84.9892 -51.0697 558377.8846 -6.2030 -6.2878 PRESSURE: 2387000 -4.11619 90.0735 114.069 90.0734 18.1156 8.49968 114.07 8.49896 -4.78185 GPRESSURE: 2387000 35.8937 127.106 53.0867 105.116 27.507 44.632 123.975 -52.0499 49.6574 PRESSAVG: 2387000 17.1653 11.0473 -25.5969 11.0473 -63.8981 0.191738 -25.5969 0.191861 45.6573 GPRESSAVG: 2387000 19.301 11.5567 -25.3787 9.97615 -66.4059 0.464849 -23.8886 -0.814342 45.7384 TIMING: 2387000 CPU: 7124.08, 0.00295262/step Wall: 7124.08, 0.00295262/step, 2.14311 hours remaining, 209.535156 MB of memory in use. ENERGY: 2387000 758.4891 2092.8935 1955.3528 119.4494 -206203.6602 17947.5528 0.0000 0.0000 34290.8626 -149039.0599 299.4706 -183329.9225 -148945.5798 299.6669 3.0725 37.6860 557622.3552 -0.3585 -0.4555 PRESSURE: 2387200 -58.6118 -129.659 -3.6482 -129.658 -116.495 -63.4086 -3.64857 -63.4097 194.973 GPRESSURE: 2387200 -77.5096 -173.035 -51.2431 -70.5634 -45.5369 -49.8058 -3.62432 -60.8779 241.574 PRESSAVG: 2387200 42.1886 8.59509 -5.38414 8.59514 -18.9612 -2.86317 -5.38412 -2.86326 42.8167 GPRESSAVG: 2387200 40.9774 5.38549 -6.82746 11.1249 -16.7851 -2.05387 -4.43609 -1.97325 42.3751 TIMING: 2387200 CPU: 7124.67, 0.0029532/step Wall: 7124.67, 0.0029532/step, 2.14337 hours remaining, 209.535156 MB of memory in use. ENERGY: 2387200 775.3917 2118.1129 1948.1206 116.3201 -206196.0464 17888.9538 0.0000 0.0000 34551.9676 -148797.1797 301.7509 -183349.1473 -148701.2750 300.6291 6.6221 39.5091 557301.5027 22.0147 22.1891 PRESSURE: 2387400 -31.8888 -133.046 -44.7982 -133.048 -202.652 76.9577 -44.7978 76.957 -225.642 GPRESSURE: 2387400 -8.18815 -50.7456 -131.265 -98.2275 -156.428 68.7939 -38.8213 82.1793 -183.909 PRESSAVG: 2387400 26.2576 -1.62564 -16.452 -1.62563 10.0695 -3.45562 -16.452 -3.4556 -11.4263 GPRESSAVG: 2387400 26.8646 -2.68257 -16.9914 -2.39644 9.42229 -4.23683 -17.636 -5.59304 -11.5404 TIMING: 2387400 CPU: 7125.26, 0.00294436/step Wall: 7125.26, 0.00294436/step, 2.13679 hours remaining, 209.535156 MB of memory in use. ENERGY: 2387400 737.4935 2081.3578 1928.7056 119.7272 -205587.7285 17440.7199 0.0000 0.0000 34535.1446 -148744.5800 301.6040 -183279.7246 -148651.8010 300.6345 -153.3943 -116.1751 558640.7144 8.3003 8.2489 PRESSURE: 2387600 163.735 -20.7852 8.77487 -20.7836 -42.6845 -87.6339 8.77544 -87.6332 -6.5799 GPRESSURE: 2387600 221.077 23.9534 -109.458 -3.07667 -57.4795 -91.0291 13.8881 -61.4056 35.3033 PRESSAVG: 2387600 59.5119 3.48567 -3.83164 3.48566 -30.8937 0.088105 -3.83163 0.0880903 -12.2756 GPRESSAVG: 2387600 58.8658 7.18924 -3.12089 3.3463 -29.798 -1.81021 -2.14338 3.36444 -12.7956 TIMING: 2387600 CPU: 7125.85, 0.00296932/step Wall: 7125.85, 0.00296932/step, 2.15474 hours remaining, 209.535156 MB of memory in use. ENERGY: 2387600 768.0460 2085.2891 1946.0416 94.7776 -205992.2387 17709.9394 0.0000 0.0000 34662.6144 -148725.5306 302.7172 -183388.1450 -148623.0559 300.6477 38.1567 66.3003 556191.2048 5.4475 5.4241 PRESSURE: 2387800 -60.1705 -39.9955 -49.3861 -39.994 1.41449 76.254 -49.3863 76.256 172.75 GPRESSURE: 2387800 -45.3536 -34.1859 -33.9937 -80.5338 116.63 71.3178 -100.519 89.1298 138.922 PRESSAVG: 2387800 -29.2574 51.6542 -30.0078 51.6543 -30.2311 -28.5061 -30.0077 -28.5061 22.0032 GPRESSAVG: 2387800 -29.3311 51.3067 -29.5465 51.1001 -29.7926 -26.504 -32.8453 -30.0066 21.0818 TIMING: 2387800 CPU: 7126.45, 0.00298312/step Wall: 7126.45, 0.00298312/step, 2.16459 hours remaining, 209.535156 MB of memory in use. ENERGY: 2387800 751.1358 2163.9319 1927.0311 125.4942 -205915.2618 17913.3961 0.0000 0.0000 34530.2458 -148504.0269 301.5612 -183034.2728 -148413.2595 300.9796 37.9979 70.0661 557665.8195 -12.4951 -12.6806 PRESSURE: 2388000 -6.1371 -38.793 152.654 -38.7922 178.218 -244.722 152.655 -244.721 -96.0368 GPRESSURE: 2388000 -10.3055 24.1585 170.928 -162.382 160.502 -178.429 180.743 -217.408 15.2487 PRESSAVG: 2388000 -15.8128 20.2027 42.946 20.2027 30.3593 24.4758 42.9461 24.4758 -37.6025 GPRESSAVG: 2388000 -15.1037 18.6096 43.4252 19.786 28.9693 23.1327 43.2968 24.9149 -36.9872 TIMING: 2388000 CPU: 7127.04, 0.00297086/step Wall: 7127.04, 0.00297086/step, 2.15552 hours remaining, 209.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2388000 747.9091 2166.3753 1937.2782 111.4105 -205878.3888 17651.8044 0.0000 0.0000 34557.8972 -148705.7141 301.8027 -183263.6113 -148607.5888 301.0995 25.3480 55.1484 557601.8905 -7.6853 -7.7072 PRESSURE: 2388200 -20.5189 208.93 18.5281 208.93 -83.4936 -3.77456 18.5289 -3.77445 -115.012 GPRESSURE: 2388200 -44.688 173.842 11.0822 214.856 -18.8908 -105.872 -30.0811 56.4753 -60.6393 PRESSAVG: 2388200 6.75042 14.8351 -43.3882 14.8351 -59.42 48.7023 -43.3882 48.7023 41.0298 GPRESSAVG: 2388200 6.16992 17.0794 -43.1909 14.6211 -58.1695 48.2397 -43.1442 48.0433 40.3236 TIMING: 2388200 CPU: 7127.65, 0.00301875/step Wall: 7127.65, 0.00301875/step, 2.1901 hours remaining, 209.535156 MB of memory in use. ENERGY: 2388200 756.6623 2120.5504 1929.7932 103.6384 -205214.9586 17387.9814 0.0000 0.0000 34220.5196 -148695.8132 298.8563 -182916.3328 -148605.2218 300.3741 -73.0083 -41.4061 557951.2006 -3.8799 -3.8920 LDB: ============= START OF LOAD BALANCING ============== 7131.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7131.2 LDB: =============== DONE WITH MIGRATION ================ 7131.2 LDB: ============= START OF LOAD BALANCING ============== 7131.5 LDB: Largest compute 4773 load 0.028985 is 24.5% of average load 0.118319 LDB: Average compute 0.001742 is 1.5% of average load 0.118319 LDB: TIME 7131.5 LOAD: AVG 0.118319 MAX 0.201393 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.309 MB LDB: TIME 7131.5 LOAD: AVG 0.118319 MAX 0.201393 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.309 MB LDB: TIME 7131.5 LOAD: AVG 0.118319 MAX 0.201393 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.309 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7131.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7131.51 PRESSURE: 2388400 48.3384 27.1006 -69.0307 27.1003 -126.391 -26.7619 -69.0311 -26.761 113.611 GPRESSURE: 2388400 103.671 121.843 -72.2541 -76.0744 -40.1225 53.1154 -83.3534 -14.8581 63.2387 PRESSAVG: 2388400 -24.2329 64.6004 -26.8736 64.6003 15.4868 -3.36199 -26.8736 -3.36194 25.5282 GPRESSAVG: 2388400 -24.6757 65.7043 -25.7972 63.5458 14.542 -1.46001 -27.6345 -3.58705 26.9153 TIMING: 2388400 CPU: 7128.26, 0.00304682/step Wall: 7128.26, 0.00304682/step, 2.2103 hours remaining, 205.960938 MB of memory in use. ENERGY: 2388400 769.9569 2154.7057 1927.0826 118.7922 -206071.1040 17907.3611 0.0000 0.0000 34330.8401 -148862.3653 299.8198 -183193.2054 -148767.5315 300.4944 11.8529 42.2624 556460.6851 5.5940 5.5939 PRESSURE: 2388600 -241.984 -21.9977 107.633 -21.9972 -300.732 284.712 107.633 284.714 53.8741 GPRESSURE: 2388600 -215.175 4.88719 116.656 -103.85 -250.92 304.296 95.0154 138.561 85.0871 PRESSAVG: 2388600 -36.2698 -45.4286 -2.22519 -45.4286 6.47059 19.8943 -2.2252 19.8943 42.4394 GPRESSAVG: 2388600 -35.4262 -49.0569 -2.75765 -43.3207 7.12806 19.0047 -1.25936 20.5465 40.9688 TIMING: 2388600 CPU: 7128.85, 0.00297086/step Wall: 7128.85, 0.00297086/step, 2.15503 hours remaining, 205.960938 MB of memory in use. ENERGY: 2388600 739.3064 2093.9706 1911.0253 115.0043 -205685.0447 17601.8116 0.0000 0.0000 34306.6743 -148917.2523 299.6087 -183223.9266 -148821.3584 299.9992 -162.9472 -127.0026 558199.9307 4.2134 4.2236 PRESSURE: 2388800 -38.0798 103.999 -40.4239 103.999 -145.534 5.37717 -40.4235 5.37864 -65.5827 GPRESSURE: 2388800 -64.9237 166.649 19.2468 46.8192 -31.4475 3.34719 -61.3318 -31.9516 -61.7103 PRESSAVG: 2388800 -54.9226 42.5667 85.0378 42.5667 50.206 82.1599 85.0379 82.16 -1.68874 GPRESSAVG: 2388800 -54.0284 44.5878 85.1357 40.055 48.7024 81.3666 85.0255 82.3268 -0.840734 TIMING: 2388800 CPU: 7129.45, 0.00297261/step Wall: 7129.45, 0.00297261/step, 2.15613 hours remaining, 205.960938 MB of memory in use. ENERGY: 2388800 803.0483 2046.1382 1935.7508 109.7596 -205888.3422 17737.9495 0.0000 0.0000 34410.7638 -148844.9321 300.5178 -183255.6959 -148754.4849 300.1151 -83.0654 -52.6938 558221.1180 -2.1351 -2.0556 PRESSURE: 2389000 35.4918 -125.316 -4.67855 -125.318 -205.179 76.3161 -4.67776 76.3157 107.713 GPRESSURE: 2389000 57.871 -101.731 -49.4359 -76.1477 -159.095 86.7276 21.5585 29.7562 131.793 PRESSAVG: 2389000 16.7274 16.7958 -26.836 16.7958 -30.5335 52.8921 -26.8359 52.892 -14.0794 GPRESSAVG: 2389000 14.2686 14.8791 -27.424 18.5621 -29.1391 54.3325 -25.7801 52.5478 -13.0172 TIMING: 2389000 CPU: 7130.03, 0.00293917/step Wall: 7130.03, 0.00293917/step, 2.13171 hours remaining, 205.960938 MB of memory in use. ENERGY: 2389000 784.4350 2031.5404 1944.1411 112.1524 -206170.6485 18033.8145 0.0000 0.0000 34354.1865 -148910.3786 300.0237 -183264.5651 -148815.0211 300.2056 -20.6583 10.1896 557949.5207 -9.2951 -9.2959 PRESSURE: 2389200 -364.454 24.1929 99.991 24.1934 -230.774 -56.4648 99.9927 -56.4671 -110.371 GPRESSURE: 2389200 -374.717 -3.4787 7.28532 60.2068 -205.894 -60.1487 149.374 -29.3458 -35.7834 PRESSAVG: 2389200 13.9827 0.435806 33.1213 0.4358 -22.7648 17.6458 33.1213 17.6458 38.6932 GPRESSAVG: 2389200 14.8053 0.129869 33.7756 2.00713 -21.9884 17.402 33.1586 18.8932 37.7215 TIMING: 2389200 CPU: 7130.63, 0.00295618/step Wall: 7130.63, 0.00295618/step, 2.14389 hours remaining, 205.960938 MB of memory in use. ENERGY: 2389200 747.3122 2050.4029 1924.6270 123.8016 -205421.4667 17395.5953 0.0000 0.0000 34251.2368 -148928.4909 299.1246 -183179.7277 -148831.5891 300.0990 -235.1994 -205.4647 558694.5677 9.9704 10.1795 PRESSURE: 2389400 -167.901 -97.2155 -97.4396 -97.2162 275.446 -78.1034 -97.4379 -78.1033 -22.3865 GPRESSURE: 2389400 -139.426 -47.19 -128.283 -165.838 333.786 -101.882 -74.4657 -92.0538 -9.99659 PRESSAVG: 2389400 5.7571 -8.22285 6.46111 -8.22291 14.0553 -31.6935 6.46121 -31.6934 24.3822 GPRESSAVG: 2389400 6.60857 -6.10226 4.83373 -10.8174 13.1796 -30.5392 4.43437 -31.0523 24.3585 TIMING: 2389400 CPU: 7131.22, 0.00296476/step Wall: 7131.22, 0.00296476/step, 2.14994 hours remaining, 205.960938 MB of memory in use. ENERGY: 2389400 726.0447 2037.9034 1919.9714 111.1183 -206145.9489 17911.9965 0.0000 0.0000 34353.7907 -149085.1238 300.0202 -183438.9146 -148984.0742 299.6451 28.3860 61.4543 557918.8158 14.7316 14.7155 PRESSURE: 2389600 -175.577 27.8249 -220.941 27.8255 -178.114 -113.776 -220.942 -113.776 -86.6779 GPRESSURE: 2389600 -160.283 37.6448 -237.286 -20.536 -123.931 -80.5802 -243.379 -129.841 -65.957 PRESSAVG: 2389600 27.6422 4.18323 -11.3651 4.18327 -60.7944 -44.2749 -11.3652 -44.2749 18.4732 GPRESSAVG: 2389600 27.6938 2.32852 -9.09597 5.6177 -61.3494 -44.9392 -10.7341 -43.565 18.8006 TIMING: 2389600 CPU: 7131.81, 0.00295864/step Wall: 7131.81, 0.00295864/step, 2.14534 hours remaining, 205.960938 MB of memory in use. ENERGY: 2389600 748.1776 2092.4361 1924.0149 115.8108 -205929.9409 17672.1600 0.0000 0.0000 34397.7239 -148979.6176 300.4039 -183377.3415 -148877.1277 300.3020 -146.7895 -116.7238 558435.3667 -4.8930 -4.9517 PRESSURE: 2389800 76.0066 -16.2282 -87.0141 -16.2293 -52.7501 -67.4034 -87.0145 -67.404 -321.029 GPRESSURE: 2389800 119.596 -42.8516 25.8265 -68.7688 0.00452843 -109.692 -166.953 -37.5497 -330.378 PRESSAVG: 2389800 -9.46162 -8.6934 -11.3756 -8.69347 51.915 6.73568 -11.3756 6.73576 -37.0087 GPRESSAVG: 2389800 -8.84042 -7.52657 -12.3127 -9.80868 52.1489 8.12334 -11.4753 3.94476 -37.7936 TIMING: 2389800 CPU: 7132.4, 0.00296565/step Wall: 7132.4, 0.00296565/step, 2.15026 hours remaining, 205.960938 MB of memory in use. ENERGY: 2389800 752.9822 2050.4866 1946.4683 103.7247 -205547.3960 17470.7394 0.0000 0.0000 34261.2573 -148961.7374 299.2121 -183222.9947 -148859.1836 300.4225 -99.2576 -70.2589 557947.8965 1.8149 1.8383 PRESSURE: 2390000 -268.729 -110.119 42.2935 -110.119 43.6958 -97.7281 42.2948 -97.7267 -11.9072 GPRESSURE: 2390000 -226.331 -66.5563 6.134 -129.859 45.8141 -146.736 9.41314 -89.9498 47.2229 PRESSAVG: 2390000 97.3042 -15.8741 24.895 -15.8741 -38.8071 -29.7397 24.895 -29.7395 -59.4149 GPRESSAVG: 2390000 98.0993 -16.2475 22.9651 -14.0404 -39.5277 -32.5909 26.6421 -28.0002 -59.5044 TIMING: 2390000 CPU: 7132.99, 0.00294515/step Wall: 7132.99, 0.00294515/step, 2.13523 hours remaining, 205.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2390000 759.5683 2075.1285 1914.1774 110.5648 -205574.6242 17441.4109 0.0000 0.0000 34440.6319 -148833.1424 300.7786 -183273.7743 -148741.6150 300.2162 -78.9801 -44.4313 557328.4564 -0.3059 -0.3109 PRESSURE: 2390200 -95.5733 -9.52415 -169.92 -9.52423 -146.74 9.22645 -169.92 9.22702 -109.556 GPRESSURE: 2390200 -89.5865 -10.0385 -124.416 -48.3335 -63.1057 28.297 -123.032 -39.7808 -96.3431 PRESSAVG: 2390200 42.0695 -20.9837 27.1279 -20.9837 -36.0705 -17.7532 27.1278 -17.7532 -2.63801 GPRESSAVG: 2390200 41.7183 -23.4987 26.5732 -20.0353 -36.6389 -15.4823 25.3312 -18.5432 -1.25516 TIMING: 2390200 CPU: 7133.58, 0.00295709/step Wall: 7133.58, 0.00295709/step, 2.14373 hours remaining, 205.960938 MB of memory in use. ENERGY: 2390200 736.7173 2089.8230 1944.3040 117.0008 -205559.0788 17699.9191 0.0000 0.0000 34255.3116 -148716.0029 299.1602 -182971.3145 -148621.9719 300.7139 -117.2899 -83.0118 559059.4863 1.1203 1.2748 PRESSURE: 2390400 -87.9513 78.5446 86.2374 78.544 -155.837 0.0238338 86.2372 0.0263555 -199.854 GPRESSURE: 2390400 -43.3649 90.8457 85.0226 45.9078 -128.74 -50.1894 142.368 50.2942 -187.15 PRESSAVG: 2390400 -7.50715 1.8933 36.756 1.89331 -27.5418 32.6708 36.7561 32.6707 -10.6729 GPRESSAVG: 2390400 -7.53076 3.43454 39.5226 0.231552 -27.1761 33.0881 35.9332 33.1112 -11.0365 TIMING: 2390400 CPU: 7134.17, 0.00293252/step Wall: 7134.17, 0.00293252/step, 2.12575 hours remaining, 205.960938 MB of memory in use. ENERGY: 2390400 742.1396 2003.1371 1940.5895 121.8439 -205544.2509 17575.3928 0.0000 0.0000 34329.7381 -148831.4101 299.8101 -183161.1481 -148730.3087 300.7606 -147.8805 -119.7515 559021.2450 -15.2406 -15.2478 PRESSURE: 2390600 3.86067 -45.1055 51.9671 -45.1044 119.793 -69.0795 51.9675 -69.0791 149.893 GPRESSURE: 2390600 47.9726 -72.8965 0.812722 -49.9953 181.099 -85.8703 -10.2356 5.92946 146.85 PRESSAVG: 2390600 -42.0082 -13.8632 52.6385 -13.8633 16.3457 14.381 52.6385 14.3812 47.728 GPRESSAVG: 2390600 -42.1994 -13.4463 52.7442 -14.6745 17.3417 15.734 52.56 13.6933 46.4766 TIMING: 2390600 CPU: 7134.76, 0.00294071/step Wall: 7134.76, 0.00294071/step, 2.13153 hours remaining, 205.960938 MB of memory in use. ENERGY: 2390600 712.9001 2056.8512 1930.1665 108.3905 -205769.0673 17726.8567 0.0000 0.0000 34254.6816 -148979.2206 299.1547 -183233.9022 -148888.7967 299.1197 91.1821 125.3071 559318.2679 7.3552 7.2063 PRESSURE: 2390800 251.752 8.80725 -67.287 8.80747 -52.3222 -23.3033 -67.2871 -23.3037 164.256 GPRESSURE: 2390800 275.427 68.4756 -47.2818 17.5555 -3.54643 29.6819 -84.8904 25.7247 178.583 PRESSAVG: 2390800 -11.4949 -12.8594 14.1101 -12.8595 -16.1316 -35.3607 14.11 -35.3607 -10.9744 GPRESSAVG: 2390800 -11.891 -13.2686 11.9509 -10.0325 -15.5867 -37.0701 15.4056 -35.7823 -10.5381 TIMING: 2390800 CPU: 7135.35, 0.00294617/step Wall: 7135.35, 0.00294617/step, 2.13532 hours remaining, 205.960938 MB of memory in use. ENERGY: 2390800 733.0092 2016.6548 1941.8202 112.6644 -205993.9105 17798.8251 0.0000 0.0000 34423.0524 -148967.8844 300.6251 -183390.9368 -148868.4813 299.2672 121.2285 150.1544 558822.1029 -12.8670 -12.6719 PRESSURE: 2391000 -202.907 103.937 227.18 103.937 208.543 19.5238 227.179 19.5231 176.724 GPRESSURE: 2391000 -137.981 101.192 233.668 80.2892 238.367 -40.0506 237.324 90.2795 183.227 PRESSAVG: 2391000 -35.6022 3.65675 52.2095 3.65676 -5.66306 22.1669 52.2096 22.1669 8.80953 GPRESSAVG: 2391000 -34.944 4.44836 52.5362 2.12636 -5.69504 20.0315 53.4266 23.3394 8.58497 TIMING: 2391000 CPU: 7135.93, 0.00293416/step Wall: 7135.93, 0.00293416/step, 2.12645 hours remaining, 205.960938 MB of memory in use. ENERGY: 2391000 681.4474 2062.1998 1900.7756 121.5948 -205961.9803 17878.5341 0.0000 0.0000 34469.7364 -148847.6922 301.0328 -183317.4286 -148742.3964 299.7693 60.7864 94.5380 558262.9089 -10.8186 -10.6847 PRESSURE: 2391200 185.965 -66.7116 2.32946 -66.71 -219.026 187.989 2.32923 187.988 -312.788 GPRESSURE: 2391200 168.046 -81.1199 94.6282 -8.24624 -160.94 173.777 -134.114 243.305 -257.408 PRESSAVG: 2391200 -71.2148 22.3143 41.7537 22.3143 38.3706 -17.8233 41.7537 -17.8234 25.7348 GPRESSAVG: 2391200 -71.3956 20.949 41.2476 23.053 37.8959 -17.5084 41.3237 -18.6594 26.1677 TIMING: 2391200 CPU: 7136.52, 0.00294247/step Wall: 7136.52, 0.00294247/step, 2.13231 hours remaining, 205.960938 MB of memory in use. ENERGY: 2391200 758.6373 2072.6450 1932.5938 105.5788 -205849.8409 17657.2749 0.0000 0.0000 34375.1094 -148948.0017 300.2064 -183323.1111 -148847.1894 299.9257 -115.2829 -83.4338 557432.8408 -2.3698 -2.4440 PRESSURE: 2391400 81.7823 -8.31221 -136.812 -8.31268 -109.497 -82.0933 -136.813 -82.0952 -36.1551 GPRESSURE: 2391400 133.124 115.089 -193.05 -117.593 -81.1979 -125.81 -185.751 -36.7614 -21.6083 PRESSAVG: 2391400 40.3981 6.9198 46.2473 6.91976 -11.3344 -29.5795 46.2472 -29.5795 -20.0998 GPRESSAVG: 2391400 38.8508 8.84323 46.431 6.2285 -11.0081 -29.3804 45.2013 -29.3913 -18.6413 TIMING: 2391400 CPU: 7137.11, 0.00294198/step Wall: 7137.11, 0.00294198/step, 2.13179 hours remaining, 205.960938 MB of memory in use. ENERGY: 2391400 733.2170 2071.5202 1922.0752 105.4205 -205723.8238 17526.9599 0.0000 0.0000 34338.9119 -149025.7191 299.8903 -183364.6310 -148929.2184 299.9762 -21.2900 10.1059 557556.5108 2.9880 3.0672 PRESSURE: 2391600 181.43 88.2481 -39.9115 88.2486 -80.3156 74.3113 -39.912 74.3114 -169.849 GPRESSURE: 2391600 189.856 60.7029 -104.169 165.551 -58.9632 20.4203 46.5543 72.3088 -98.9882 PRESSAVG: 2391600 28.3982 17.6331 3.45515 17.6331 1.7331 24.7485 3.45515 24.7485 -6.22788 GPRESSAVG: 2391600 29.4832 13.6589 2.15186 18.7056 1.80375 24.484 5.59522 24.8373 -6.95981 TIMING: 2391600 CPU: 7137.7, 0.00292053/step Wall: 7137.7, 0.00292053/step, 2.11609 hours remaining, 205.960938 MB of memory in use. ENERGY: 2391600 775.1468 2085.2504 1911.4104 102.4899 -206040.4866 17963.5412 0.0000 0.0000 34174.8884 -149027.7595 298.4578 -183202.6480 -148930.2000 299.2355 -22.9116 10.6349 559579.6683 7.9678 8.1091 PRESSURE: 2391800 132.074 -97.9927 19.3172 -97.9935 89.761 -48.7364 19.317 -48.7371 -189.5 GPRESSURE: 2391800 163.326 -88.5989 123.803 -107.778 85.835 25.6543 -42.2717 -64.3145 -117.051 PRESSAVG: 2391800 16.7409 52.4974 -25.8426 52.4973 -49.8273 50.5375 -25.8425 50.5374 -10.8029 GPRESSAVG: 2391800 17.0118 55.5406 -24.6025 52.38 -50.5864 52.1364 -27.7 51.2114 -10.5007 TIMING: 2391800 CPU: 7138.28, 0.00293782/step Wall: 7138.28, 0.00293782/step, 2.12845 hours remaining, 205.960938 MB of memory in use. ENERGY: 2391800 748.8548 2150.1514 1948.3063 123.5523 -206279.6903 17884.2181 0.0000 0.0000 34241.0671 -149183.5402 299.0358 -183424.6074 -149082.1917 299.6181 10.7786 44.0366 557821.1774 -14.6298 -14.6917 PRESSURE: 2392000 -131.535 104.85 68.4542 104.85 87.4485 171.788 68.4538 171.788 -279.391 GPRESSURE: 2392000 -82.1447 107.83 54.8698 53.4896 99.5809 101.479 -15.4011 228.727 -254.561 PRESSAVG: 2392000 33.5218 6.50973 -80.4549 6.50982 12.113 44.4444 -80.4549 44.4444 -45.1921 GPRESSAVG: 2392000 34.4665 6.24426 -80.5865 5.38084 11.2503 43.2261 -80.5667 45.9276 -45.4273 TIMING: 2392000 CPU: 7138.87, 0.00292896/step Wall: 7138.87, 0.00292896/step, 2.12187 hours remaining, 205.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2392000 757.5479 2048.4498 1940.5093 108.3753 -205796.7154 17534.8449 0.0000 0.0000 34076.1790 -149330.8091 297.5957 -183406.9881 -149237.1807 299.4454 -107.8259 -79.0415 557439.5550 0.1476 0.0965 PRESSURE: 2392200 -193.629 28.2355 -28.3214 28.2349 -53.1418 15.2239 -28.3199 15.2227 -202.754 GPRESSURE: 2392200 -143.547 73.8155 28.8456 14.7189 -35.1103 23.2765 -104.301 18.3073 -162.013 PRESSAVG: 2392200 -24.7254 -5.93469 36.1563 -5.93469 36.1264 -19.9385 36.1562 -19.9384 -13.918 GPRESSAVG: 2392200 -26.2588 -7.05995 37.3894 -3.97236 37.4939 -18.891 36.0172 -24.1242 -13.5852 TIMING: 2392200 CPU: 7139.46, 0.0029386/step Wall: 7139.46, 0.0029386/step, 2.12869 hours remaining, 205.960938 MB of memory in use. ENERGY: 2392200 729.3424 2100.8042 1912.6543 121.8072 -205885.6005 17484.7312 0.0000 0.0000 34271.0288 -149265.2324 299.2974 -183536.2612 -149161.0014 298.9731 -149.8415 -113.5569 558088.7838 -0.8390 -0.7833 LDB: ============= START OF LOAD BALANCING ============== 7143 LDB: ============== END OF LOAD BALANCING =============== 7143 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7143.01 LDB: ============= START OF LOAD BALANCING ============== 7143.3 LDB: Largest compute 4773 load 0.029838 is 25.2% of average load 0.118225 LDB: Average compute 0.001743 is 1.5% of average load 0.118225 LDB: TIME 7143.31 LOAD: AVG 0.118225 MAX 0.19975 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.754 MB LDB: TIME 7143.31 LOAD: AVG 0.118225 MAX 0.19975 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.957 MB LDB: TIME 7143.31 LOAD: AVG 0.118225 MAX 0.19975 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.957 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7143.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7143.31 PRESSURE: 2392400 -43.8783 -140.326 -127.721 -140.327 -23.6704 25.2703 -127.721 25.2703 -100.073 GPRESSURE: 2392400 -20.6509 -129.015 -115.88 -65.0787 21.5925 123.934 -104.345 -81.6337 -79.3362 PRESSAVG: 2392400 54.4241 -6.61149 8.46204 -6.6115 -42.3215 -13.298 8.462 -13.298 -34.7285 GPRESSAVG: 2392400 55.7225 -3.74024 8.2782 -8.81228 -42.8454 -12.6326 10.0572 -12.0821 -35.4852 TIMING: 2392400 CPU: 7140.06, 0.00302766/step Wall: 7140.06, 0.00302766/step, 2.19304 hours remaining, 205.960938 MB of memory in use. ENERGY: 2392400 738.7464 2039.4366 1951.2325 101.8398 -206080.1406 17763.9722 0.0000 0.0000 34119.5678 -149365.3454 297.9747 -183484.9132 -149270.4384 298.7559 -55.8738 -26.1315 558986.8129 -7.5420 -7.5360 PRESSURE: 2392600 245.6 -116.905 144.894 -116.905 -346.012 -11.7486 144.894 -11.7499 -27.5763 GPRESSURE: 2392600 258.276 -28.0457 140.253 -129.937 -296.181 24.0031 135.637 -3.68852 9.57698 PRESSAVG: 2392600 71.4324 -6.90303 -1.927 -6.90312 10.5221 -21.8821 -1.92703 -21.882 -78.7413 GPRESSAVG: 2392600 71.7596 -6.75733 -2.82958 -8.73209 10.9391 -22.5295 -2.58028 -21.4495 -78.878 TIMING: 2392600 CPU: 7140.66, 0.00296818/step Wall: 7140.66, 0.00296818/step, 2.14979 hours remaining, 205.960938 MB of memory in use. ENERGY: 2392600 754.0660 2112.8375 1949.0011 127.1282 -206115.2581 17693.8589 0.0000 0.0000 34083.3701 -149394.9962 297.6585 -183478.3663 -149300.4619 298.4675 -42.6626 -9.4424 557553.7658 1.0711 1.2736 PRESSURE: 2392800 -24.9891 -9.02822 82.027 -9.02739 41.5614 127.192 82.0273 127.19 -201.872 GPRESSURE: 2392800 40.9358 14.3208 68.1753 -81.4885 46.6046 100.608 74.1507 229.38 -177.433 PRESSAVG: 2392800 55.7443 -4.43541 17.7973 -4.43529 -59.2013 -37.531 17.7971 -37.5309 16.6134 GPRESSAVG: 2392800 54.8293 -3.89076 19.6827 -2.36099 -57.765 -36.7746 17.9189 -37.986 15.9609 TIMING: 2392800 CPU: 7141.24, 0.00292869/step Wall: 7141.24, 0.00292869/step, 2.12102 hours remaining, 205.960938 MB of memory in use. ENERGY: 2392800 754.3122 2071.1825 1980.8638 122.9483 -206199.4729 17634.8792 0.0000 0.0000 34266.8633 -149368.4236 299.2610 -183635.2869 -149272.4705 299.3512 -61.7664 -29.9643 557070.2280 4.3855 4.3417 PRESSURE: 2393000 270.376 -97.5749 129.505 -97.5758 105.624 54.1175 129.505 54.118 -49.3379 GPRESSURE: 2393000 295.201 -111.557 155.556 -115.32 140.836 100.23 93.4174 8.91874 -14.3184 PRESSAVG: 2393000 56.2144 -1.32464 15.9004 -1.32462 -29.7541 -43.1873 15.9005 -43.1873 -15.1022 GPRESSAVG: 2393000 57.0526 -3.48125 15.5003 -1.91769 -31.0815 -43.4898 15.0159 -43.1947 -14.404 TIMING: 2393000 CPU: 7141.83, 0.00295926/step Wall: 7141.83, 0.00295926/step, 2.143 hours remaining, 205.960938 MB of memory in use. ENERGY: 2393000 750.4966 2152.6122 1963.1218 111.0146 -206520.2493 17923.8250 0.0000 0.0000 34222.1930 -149396.9861 298.8709 -183619.1791 -149308.8470 298.5525 108.8874 140.5730 555623.4711 3.7860 3.8557 PRESSURE: 2393200 34.2419 -34.981 180.337 -34.9811 71.6794 -71.3286 180.337 -71.3292 -15.7322 GPRESSURE: 2393200 51.3794 -35.8547 166.459 -88.8174 122.257 -21.5242 126.144 -85.6916 6.18117 PRESSAVG: 2393200 54.9 -46.3192 23.2929 -46.3192 15.665 33.7727 23.2929 33.7726 -71.7434 GPRESSAVG: 2393200 53.7079 -47.5773 21.9045 -44.9325 16.4415 34.1338 24.7141 33.2975 -71.1987 TIMING: 2393200 CPU: 7142.43, 0.00296486/step Wall: 7142.43, 0.00296486/step, 2.14689 hours remaining, 205.960938 MB of memory in use. ENERGY: 2393200 735.2806 2174.8939 1955.1953 111.8108 -206126.5213 17774.5772 0.0000 0.0000 34206.3862 -149168.3774 298.7329 -183374.7636 -149075.3048 298.9983 30.0630 59.9391 557124.1150 -0.3928 -0.3498 PRESSURE: 2393400 106.375 -104.114 -44.2928 -104.114 -330.508 -55.6269 -44.2936 -55.6262 28.5791 GPRESSURE: 2393400 107.996 -141.725 -84.4514 -56.6157 -287.133 -35.903 29.1369 -38.0704 85.2052 PRESSAVG: 2393400 36.3895 12.6959 46.5435 12.6959 -38.4116 32.297 46.5435 32.297 11.5308 GPRESSAVG: 2393400 37.6413 14.6221 47.6552 11.876 -38.8615 30.2422 47.3909 32.7342 9.96349 TIMING: 2393400 CPU: 7143.02, 0.00298653/step Wall: 7143.02, 0.00298653/step, 2.16241 hours remaining, 205.960938 MB of memory in use. ENERGY: 2393400 704.1699 2113.8386 1965.8358 115.5579 -206244.0947 17733.5284 0.0000 0.0000 34436.6540 -149174.5102 300.7439 -183611.1642 -149074.7760 299.5183 -65.1846 -31.3104 559441.1522 3.1695 2.9144 PRESSURE: 2393600 -49.4233 50.4166 50.0977 50.4168 -52.178 66.9254 50.0979 66.9251 227.244 GPRESSURE: 2393600 -1.26011 56.1103 -16.3477 53.872 -13.1127 50.2405 80.6887 108.282 239.777 PRESSAVG: 2393600 11.9871 16.5291 7.16948 16.5291 -53.834 6.12372 7.16946 6.12376 44.462 GPRESSAVG: 2393600 11.5119 14.8723 8.27692 17.0002 -53.8824 8.25921 3.43977 6.46001 44.9583 TIMING: 2393600 CPU: 7143.61, 0.00294033/step Wall: 7143.61, 0.00294033/step, 2.1288 hours remaining, 205.960938 MB of memory in use. ENERGY: 2393600 782.9412 2119.6415 1939.1016 110.6852 -206347.9414 17959.3401 0.0000 0.0000 34209.9013 -149226.3305 298.7636 -183436.2318 -149135.6302 299.4654 41.8809 75.1349 557133.0694 0.8717 0.8626 PRESSURE: 2393800 -300.808 -148.465 -83.5044 -148.466 -30.4196 -73.7831 -83.5051 -73.7837 169.455 GPRESSURE: 2393800 -295.625 -117.114 -115.659 -166.449 47.7113 -79.1973 -39.3468 -96.2839 182.614 PRESSAVG: 2393800 44.0978 -43.5296 29.9253 -43.5296 -28.7974 -5.84016 29.9253 -5.84013 43.8349 GPRESSAVG: 2393800 43.776 -41.2073 26.7361 -44.6182 -28.9017 -6.20368 32.3951 -5.95994 44.9168 TIMING: 2393800 CPU: 7144.2, 0.00292873/step Wall: 7144.2, 0.00292873/step, 2.12024 hours remaining, 205.960938 MB of memory in use. ENERGY: 2393800 768.8564 2101.5262 1939.5243 113.1047 -206241.8069 17828.8830 0.0000 0.0000 34358.0521 -149131.8603 300.0574 -183489.9124 -149035.4909 299.7780 -53.9244 -21.7666 557265.3962 19.7117 19.9304 PRESSURE: 2394000 -96.2022 58.2281 -66.5597 58.2276 -112.352 15.0856 -66.5613 15.0867 28.0251 GPRESSURE: 2394000 -56.1477 112.372 -46.8733 78.6667 -96.8346 76.3559 -19.6369 11.6268 78.3392 PRESSAVG: 2394000 -45.7901 -13.4565 32.8455 -13.4564 -72.2824 -8.33285 32.8455 -8.33284 50.0869 GPRESSAVG: 2394000 -47.0197 -13.5837 34.7711 -12.4097 -71.4751 -7.50725 31.3161 -10.0648 50.2142 TIMING: 2394000 CPU: 7144.79, 0.00294174/step Wall: 7144.79, 0.00294174/step, 2.12949 hours remaining, 205.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2394000 755.5054 2039.5335 1933.8863 119.2420 -205783.4262 17527.6123 0.0000 0.0000 34350.2910 -149057.3557 299.9896 -183407.6466 -148953.2452 299.8360 -60.1764 -24.8810 556135.4505 -22.6619 -22.7602 PRESSURE: 2394200 -11.459 118.668 27.09 118.669 -159.781 -28.7104 27.0896 -28.7111 -102.588 GPRESSURE: 2394200 15.7847 91.8122 67.5242 212.784 -156.196 -72.2716 -4.35159 -6.67746 -29.1732 PRESSAVG: 2394200 73.8736 50.6737 6.13961 50.6738 -41.9556 9.15105 6.1396 9.15104 23.9396 GPRESSAVG: 2394200 75.7002 49.322 5.72856 50.6434 -42.6992 8.93183 6.63722 7.65137 22.3794 TIMING: 2394200 CPU: 7145.38, 0.00294778/step Wall: 7145.38, 0.00294778/step, 2.1337 hours remaining, 205.960938 MB of memory in use. ENERGY: 2394200 782.6916 2044.0921 1924.2424 121.9633 -206105.6537 17745.1821 0.0000 0.0000 34419.8324 -149067.6499 300.5970 -183487.4822 -148974.3698 300.2063 -91.2761 -56.5282 556570.4196 18.6192 18.4601 PRESSURE: 2394400 327.972 -116.3 -2.64413 -116.3 36.6598 34.1712 -2.64427 34.1729 -42.6079 GPRESSURE: 2394400 321.026 -126.076 28.7642 -62.6365 112.734 -59.7215 5.82725 17.4616 -11.765 PRESSAVG: 2394400 -7.08156 -16.7753 7.6556 -16.7753 -19.361 -26.3232 7.65561 -26.323 17.0338 GPRESSAVG: 2394400 -8.51534 -17.1865 7.37269 -15.986 -19.0384 -28.8598 10.4861 -21.9743 18.3386 TIMING: 2394400 CPU: 7145.97, 0.0029556/step Wall: 7145.97, 0.0029556/step, 2.1392 hours remaining, 205.960938 MB of memory in use. ENERGY: 2394400 764.7612 2094.1352 1935.5867 99.8418 -206162.0811 17900.9354 0.0000 0.0000 34392.2111 -148974.6097 300.3557 -183366.8208 -148882.7922 299.9559 107.3413 140.6649 556309.6858 -3.1363 -3.0717 PRESSURE: 2394600 -5.23656 -100.325 -29.8883 -100.325 176.576 -63.001 -29.8887 -62.9999 94.471 GPRESSURE: 2394600 20.3272 -186.601 -3.30379 -78.8977 177.309 -19.155 66.1329 8.37413 174.284 PRESSAVG: 2394600 -40.263 -24.1107 -4.49439 -24.1106 4.59332 -19.3741 -4.49432 -19.3741 28.9213 GPRESSAVG: 2394600 -39.6733 -23.6094 -3.67269 -26.2477 3.89607 -18.0773 -7.48732 -21.0541 29.6545 TIMING: 2394600 CPU: 7146.56, 0.00295523/step Wall: 7146.56, 0.00295523/step, 2.13876 hours remaining, 205.960938 MB of memory in use. ENERGY: 2394600 760.2032 2108.0982 1959.2762 125.7974 -206371.9452 18033.3031 0.0000 0.0000 34510.8674 -148874.3997 301.3920 -183385.2671 -148785.7263 300.9416 88.6036 123.9734 556322.8329 -2.2495 -2.0409 PRESSURE: 2394800 173.772 86.8857 44.2065 86.8861 -88.7286 275.452 44.2067 275.451 -71.0117 GPRESSURE: 2394800 198.34 65.3453 -65.0729 41.9093 -52.6569 225.714 40.6775 336.051 -37.4521 PRESSAVG: 2394800 18.2482 24.965 -15.0988 24.965 -51.9649 75.1981 -15.0989 75.1981 13.5529 GPRESSAVG: 2394800 19.1879 27.0389 -12.5273 25.5561 -51.4335 75.6469 -17.0126 75.7748 12.0875 TIMING: 2394800 CPU: 7147.15, 0.00295211/step Wall: 7147.15, 0.00295211/step, 2.13634 hours remaining, 205.960938 MB of memory in use. ENERGY: 2394800 760.5990 2091.4689 1922.7093 105.7633 -205843.6841 17727.5284 0.0000 0.0000 34388.1552 -148847.4599 300.3203 -183235.6151 -148754.8857 300.4518 4.6773 36.0771 558908.1938 -6.7212 -6.7194 PRESSURE: 2395000 254.046 -44.8457 -6.30956 -44.8457 -106.107 138.308 -6.31067 138.307 194.741 GPRESSURE: 2395000 260.642 -14.3238 -63.8315 -30.0094 -12.8754 146.127 4.93236 138.286 178.143 PRESSAVG: 2395000 44.582 27.4462 -31.4217 27.4463 -34.5114 28.264 -31.4217 28.264 -8.81801 GPRESSAVG: 2395000 44.5763 25.4215 -33.4896 28.1586 -34.1335 27.5849 -29.9656 28.4814 -9.19188 TIMING: 2395000 CPU: 7147.75, 0.00299304/step Wall: 7147.75, 0.00299304/step, 2.1658 hours remaining, 205.960938 MB of memory in use. ENERGY: 2395000 745.1679 2109.5849 1966.0596 115.1754 -206257.3169 17880.1464 0.0000 0.0000 34582.3982 -148858.7847 302.0167 -183441.1829 -148756.9040 300.4427 114.2266 141.9699 556517.7918 0.4175 0.4170 PRESSURE: 2395200 -248.436 -84.3962 4.70274 -84.3966 -185.414 -126.824 4.70164 -126.827 100.611 GPRESSURE: 2395200 -206.178 -59.3451 -50.9463 -55.1393 -236.033 -162.972 24.6204 -91.1281 194.569 PRESSAVG: 2395200 33.6083 -39.6865 1.27722 -39.6866 -6.77556 31.1091 1.27717 31.1091 -1.81246 GPRESSAVG: 2395200 34.2946 -38.1959 -0.746192 -38.8343 -7.41005 36.4634 2.17814 29.1 -1.11956 TIMING: 2395200 CPU: 7148.34, 0.00298746/step Wall: 7148.34, 0.00298746/step, 2.1616 hours remaining, 205.960938 MB of memory in use. ENERGY: 2395200 736.8510 2070.6330 1958.2585 103.1490 -205877.7875 17637.5777 0.0000 0.0000 34416.3857 -148954.9326 300.5669 -183371.3183 -148852.4186 300.5416 -111.0798 -82.5472 559141.8700 8.3401 8.5883 PRESSURE: 2395400 43.3676 -35.403 235.7 -35.4033 -48.7465 234.871 235.701 234.872 47.726 GPRESSURE: 2395400 43.6567 -37.4136 303.643 -68.0081 -13.5517 229.027 261.437 207.429 106.043 PRESSAVG: 2395400 -34.5259 5.98725 -40.7941 5.9873 -0.252901 39.9336 -40.794 39.9336 35.4981 GPRESSAVG: 2395400 -35.9691 6.5081 -39.4478 3.72846 -0.538783 35.8531 -41.0254 40.7813 36.7414 TIMING: 2395400 CPU: 7148.93, 0.00294307/step Wall: 7148.93, 0.00294307/step, 2.12931 hours remaining, 205.960938 MB of memory in use. ENERGY: 2395400 745.9925 2059.0407 1949.3639 114.1088 -206062.5681 17828.7951 0.0000 0.0000 34466.5316 -148898.7356 301.0048 -183365.2672 -148802.2583 299.8467 14.1157 45.3826 559623.1576 0.2398 0.0778 PRESSURE: 2395600 -11.3932 -92.6596 79.8461 -92.658 -31.7188 78.2101 79.8469 78.2097 -107.23 GPRESSURE: 2395600 -43.2769 -27.6944 65.8744 -93.2929 11.3006 -26.7505 87.3526 117.431 -21.8805 PRESSAVG: 2395600 -40.3962 -12.6984 11.2485 -12.6985 -35.0658 12.0397 11.2485 12.0397 53.8274 GPRESSAVG: 2395600 -41.1102 -14.9405 12.0602 -11.4023 -34.5457 14.7724 11.7735 10.109 54.4678 TIMING: 2395600 CPU: 7149.53, 0.00296633/step Wall: 7149.53, 0.00296633/step, 2.14598 hours remaining, 205.960938 MB of memory in use. ENERGY: 2395600 771.2682 2045.8140 1939.7536 107.2267 -205914.4503 17848.7501 0.0000 0.0000 34076.9389 -149124.6987 297.6024 -183201.6376 -149042.3155 299.5243 -50.1140 -17.9523 559462.7484 -7.2115 -7.0627 PRESSURE: 2395800 -131.181 -67.4578 7.32822 -67.458 121.518 -57.5944 7.32759 -57.5933 64.8849 GPRESSURE: 2395800 -92.3363 -119.698 -13.2956 26.1814 222.721 -52.4251 -38.2759 -28.5564 4.42936 PRESSAVG: 2395800 -49.4398 -35.4737 -6.41884 -35.4736 91.6029 24.5686 -6.41883 24.5686 -17.9803 GPRESSAVG: 2395800 -48.4553 -34.8656 -7.06637 -37.0426 91.9226 23.4957 -6.62063 25.1607 -19.1031 TIMING: 2395800 CPU: 7150.11, 0.00294377/step Wall: 7150.11, 0.00294377/step, 2.12949 hours remaining, 205.960938 MB of memory in use. ENERGY: 2395800 713.7429 2034.0257 1960.0438 103.7222 -206183.9909 17848.8372 0.0000 0.0000 34300.6163 -149223.0028 299.5558 -183523.6190 -149124.7162 299.2732 18.4076 44.9379 558996.5996 8.0609 8.1214 PRESSURE: 2396000 103.954 123.812 103.126 123.812 104.714 -39.0658 103.127 -39.0667 -1.94518 GPRESSURE: 2396000 164.44 121.914 143.282 158.592 115.321 -57.076 36.9715 -22.5109 23.8427 PRESSAVG: 2396000 -32.6831 32.5373 20.2151 32.5373 41.523 -57.818 20.2152 -57.8181 -0.808365 GPRESSAVG: 2396000 -33.4344 31.963 18.5822 33.3362 41.1549 -59.6405 20.459 -57.5587 -0.32157 TIMING: 2396000 CPU: 7150.71, 0.00295366/step Wall: 7150.71, 0.00295366/step, 2.13648 hours remaining, 205.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2396000 729.3780 2048.1177 1934.1569 117.3710 -206241.8173 17904.6953 0.0000 0.0000 34075.6457 -149432.4526 297.5911 -183508.0983 -149337.5837 299.9524 68.9074 101.2012 557515.3765 2.6772 2.4663 PRESSURE: 2396200 44.2929 12.3266 -167.715 12.3251 17.093 -66.4543 -167.714 -66.4559 -292.799 GPRESSURE: 2396200 99.144 -5.95322 -46.228 26.2062 15.9711 -122.24 -173.977 -31.4461 -253.605 PRESSAVG: 2396200 23.4006 13.8022 7.06052 13.8022 47.7242 -74.3254 7.06063 -74.3255 -37.5245 GPRESSAVG: 2396200 24.0127 13.898 10.4382 13.5736 46.8142 -75.2048 5.3405 -73.7804 -37.3994 TIMING: 2396200 CPU: 7151.3, 0.00297039/step Wall: 7151.3, 0.00297039/step, 2.14842 hours remaining, 205.960938 MB of memory in use. ENERGY: 2396200 747.0403 2046.6071 1936.3885 126.4320 -206170.4525 17681.7076 0.0000 0.0000 34087.9630 -149544.3139 297.6987 -183632.2769 -149445.5523 298.0638 -77.1377 -46.1635 558009.7090 11.2001 11.1425 LDB: ============= START OF LOAD BALANCING ============== 7154.85 LDB: ============== END OF LOAD BALANCING =============== 7154.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7154.85 LDB: ============= START OF LOAD BALANCING ============== 7155.15 LDB: Largest compute 4773 load 0.031484 is 26.6% of average load 0.118146 LDB: Average compute 0.001741 is 1.5% of average load 0.118146 LDB: TIME 7155.15 LOAD: AVG 0.118146 MAX 0.200517 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.984 MB LDB: TIME 7155.15 LOAD: AVG 0.118146 MAX 0.200517 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.984 MB LDB: TIME 7155.15 LOAD: AVG 0.118146 MAX 0.200517 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.984 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7155.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7155.16 PRESSURE: 2396400 -51.7226 -24.6955 -87.4947 -24.6954 -79.3642 124.933 -87.4955 124.934 -282.324 GPRESSURE: 2396400 -23.4654 -4.89435 -123.098 -39.2176 -81.4237 163.035 -36.5379 132.654 -212.734 PRESSAVG: 2396400 20.8133 61.4187 1.91903 61.4188 73.2296 -34.9252 1.91904 -34.9251 -97.1356 GPRESSAVG: 2396400 19.9922 60.1715 -1.10996 62.0411 74.0452 -33.9198 4.48646 -34.863 -97.1183 TIMING: 2396400 CPU: 7151.91, 0.00305171/step Wall: 7151.91, 0.00305171/step, 2.20706 hours remaining, 206.984375 MB of memory in use. ENERGY: 2396400 743.5931 2067.6254 1928.0416 108.1997 -206145.9802 17654.2052 0.0000 0.0000 34151.1556 -149493.1596 298.2505 -183644.3151 -149395.9869 298.4021 -137.8035 -105.8745 558291.4390 -1.0309 -1.0270 PRESSURE: 2396600 39.1188 -67.5258 47.3038 -67.5259 -182.162 -24.2633 47.3044 -24.2625 -78.6819 GPRESSURE: 2396600 101.851 -101.664 77.5212 -83.3992 -121.04 -69.4445 -2.96989 1.43746 -103.48 PRESSAVG: 2396600 -19.6179 -16.4248 22.6857 -16.4247 0.223732 44.641 22.6857 44.6411 -5.96972 GPRESSAVG: 2396600 -18.8423 -16.3313 24.9406 -16.3126 0.81039 48.4354 20.4908 43.0845 -7.74699 TIMING: 2396600 CPU: 7152.51, 0.00298767/step Wall: 7152.51, 0.00298767/step, 2.16058 hours remaining, 206.984375 MB of memory in use. ENERGY: 2396600 752.3608 2057.6947 1957.2018 108.8861 -206372.8710 17676.7700 0.0000 0.0000 34261.3579 -149558.5997 299.2130 -183819.9576 -149464.8100 298.7105 -73.9084 -40.8898 557470.4258 -8.4546 -8.5930 PRESSURE: 2396800 57.3615 103.582 9.0941 103.582 -82.3304 48.645 9.09353 48.6453 -198.908 GPRESSURE: 2396800 116.428 105.201 99.862 93.7843 -46.3222 -27.9264 -14.9863 79.2336 -178.834 PRESSAVG: 2396800 -38.0332 -17.4243 28.6728 -17.4242 42.3231 -0.363312 28.6727 -0.363382 11.9736 GPRESSAVG: 2396800 -37.5971 -15.3977 25.4346 -17.5536 41.9398 -3.32982 31.1752 -1.12785 12.3512 TIMING: 2396800 CPU: 7153.1, 0.00296693/step Wall: 7153.1, 0.00296693/step, 2.14542 hours remaining, 206.984375 MB of memory in use. ENERGY: 2396800 740.4021 2005.2561 1956.4536 122.6637 -206252.1383 17913.1043 0.0000 0.0000 34019.5388 -149494.7198 297.1011 -183514.2585 -149391.3338 297.8872 -74.6255 -36.2425 558062.3724 5.4212 5.5646 PRESSURE: 2397000 -116.662 52.4561 86.2808 52.4558 -104.642 30.3597 86.2819 30.3604 8.22533 GPRESSURE: 2397000 -9.23235 0.762908 87.0266 54.4528 -45.5974 -13.9467 106.834 18.3829 -62.163 PRESSAVG: 2397000 49.0793 -11.1543 26.2361 -11.1543 -35.8503 31.9485 26.2362 31.9485 42.6636 GPRESSAVG: 2397000 48.66 -9.81433 26.7852 -12.1851 -36.2459 32.3504 25.0849 33.8297 43.4265 TIMING: 2397000 CPU: 7153.7, 0.00297372/step Wall: 7153.7, 0.00297372/step, 2.15016 hours remaining, 206.984375 MB of memory in use. ENERGY: 2397000 717.5344 2057.8115 1914.5089 103.1483 -206200.7022 17819.3898 0.0000 0.0000 34130.1994 -149458.1100 298.0675 -183588.3094 -149366.4308 298.2287 -71.0262 -38.9976 557906.0242 18.6309 18.6135 PRESSURE: 2397200 -391.969 58.6141 95.7401 58.6125 -30.9516 -161.362 95.7401 -161.362 -46.8425 GPRESSURE: 2397200 -365.323 30.2836 104.341 38.3718 19.4106 -164.181 44.8399 -196.036 -22.6686 PRESSAVG: 2397200 -18.063 2.04278 42.7294 2.04275 -14.1106 20.1142 42.7294 20.1142 -10.9157 GPRESSAVG: 2397200 -18.4472 -2.08499 43.1245 4.34935 -13.6827 18.818 42.4723 20.7503 -11.5855 TIMING: 2397200 CPU: 7154.29, 0.00299455/step Wall: 7154.29, 0.00299455/step, 2.16506 hours remaining, 206.984375 MB of memory in use. ENERGY: 2397200 739.9900 2037.5118 1933.2063 103.8922 -206039.3605 17689.9788 0.0000 0.0000 34109.1199 -149425.6614 297.8834 -183534.7813 -149336.6338 297.7610 -156.5877 -122.8602 558636.5133 -14.3631 -14.5718 PRESSURE: 2397400 -240.135 -94.7136 13.3865 -94.7144 63.7398 -41.4877 13.3869 -41.4879 -378.516 GPRESSURE: 2397400 -232.601 19.7867 41.7276 -94.1488 106.265 -65.0953 24.8034 -62.4423 -330.615 PRESSAVG: 2397400 3.51522 9.03965 7.97204 9.03951 89.4235 -57.0775 7.97204 -57.0775 -70.5478 GPRESSAVG: 2397400 4.06068 12.4507 10.0303 6.84612 88.5096 -56.2793 9.8212 -58.0639 -70.5611 TIMING: 2397400 CPU: 7154.89, 0.00297229/step Wall: 7154.89, 0.00297229/step, 2.1488 hours remaining, 207.242188 MB of memory in use. ENERGY: 2397400 734.1648 2030.9900 1966.8176 111.0541 -205802.0828 17627.6703 0.0000 0.0000 34093.4736 -149237.9124 297.7468 -183331.3860 -149142.9696 298.6570 -184.9706 -152.3170 558039.5833 7.4636 7.3364 PRESSURE: 2397600 -86.7041 44.4269 76.3377 44.4272 -278.144 61.3154 76.3377 61.3133 -90.3687 GPRESSURE: 2397600 -52.3889 105.724 11.5696 99.0106 -263.453 154.448 63.101 -8.8773 -46.0219 PRESSAVG: 2397600 31.108 20.9942 22.94 20.9941 25.1022 -102.206 22.9401 -102.206 -65.2966 GPRESSAVG: 2397600 30.418 20.2305 19.878 22.1957 25.0579 -100.323 21.9823 -103.241 -64.2484 TIMING: 2397600 CPU: 7155.49, 0.00298983/step Wall: 7155.49, 0.00298983/step, 2.16131 hours remaining, 207.242188 MB of memory in use. ENERGY: 2397600 737.2121 2074.5509 1953.9476 111.5355 -206021.5805 17721.4923 0.0000 0.0000 34012.4419 -149410.4001 297.0391 -183422.8420 -149306.6998 298.9135 -151.7390 -120.6214 559486.3518 -3.0288 -2.9242 PRESSURE: 2397800 122.046 84.0493 65.0688 84.0502 6.87207 92.7848 65.0677 92.784 274.68 GPRESSURE: 2397800 173.364 87.497 52.3229 7.3014 -14.9441 43.7308 68.8625 135.229 344.804 PRESSAVG: 2397800 73.336 85.502 -15.1737 85.5019 -54.7603 -3.8804 -15.1738 -3.88034 -6.52703 GPRESSAVG: 2397800 73.8044 84.2887 -15.0885 87.0805 -53.7334 -6.91099 -14.5949 -0.337873 -7.98283 TIMING: 2397800 CPU: 7156.08, 0.00297696/step Wall: 7156.08, 0.00297696/step, 2.15185 hours remaining, 207.242188 MB of memory in use. ENERGY: 2397800 758.4541 2069.6710 1946.9396 118.4404 -206703.9262 18086.8772 0.0000 0.0000 34235.4248 -149488.1191 298.9865 -183723.5440 -149387.0050 298.9531 134.5327 167.7413 556792.3092 4.0162 4.0294 PRESSURE: 2398000 -195.212 -1.30385 -23.7749 -1.30327 -51.7143 -30.9932 -23.7732 -30.9931 -272.451 GPRESSURE: 2398000 -155.985 16.2437 -63.5893 -75.8797 -22.9311 14.1016 -0.0433571 -24.2498 -247.285 PRESSAVG: 2398000 27.8659 17.0086 31.8916 17.0087 -17.8627 10.2539 31.8916 10.2539 28.953 GPRESSAVG: 2398000 28.2115 17.3977 33.4244 14.0239 -19.5123 10.7195 28.3454 9.3717 30.3382 TIMING: 2398000 CPU: 7156.67, 0.00295654/step Wall: 7156.67, 0.00295654/step, 2.13692 hours remaining, 207.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2398000 766.4244 2101.4422 1941.7910 106.8439 -206368.8199 17750.6179 0.0000 0.0000 34198.0232 -149503.6774 298.6598 -183701.7005 -149407.3169 298.9553 -173.1257 -142.0673 557065.5081 12.9854 13.0125 PRESSURE: 2398200 253.934 -44.1745 157.528 -44.1737 42.0915 -7.47035 157.528 -7.46929 218.771 GPRESSURE: 2398200 301.841 -6.4552 129.332 -3.6337 45.9193 28.7275 203.995 -50.3771 265.592 PRESSAVG: 2398200 -30.6979 -51.0146 -2.05999 -51.0147 5.02347 9.47928 -2.05997 9.47935 32.9243 GPRESSAVG: 2398200 -31.6682 -49.091 -2.62572 -50.7697 7.31391 9.77868 -0.00298987 7.98582 31.6365 TIMING: 2398200 CPU: 7157.26, 0.00295534/step Wall: 7157.26, 0.00295534/step, 2.13589 hours remaining, 207.242188 MB of memory in use. ENERGY: 2398200 719.2402 2057.1596 1928.2898 109.7184 -206259.3415 18014.0560 0.0000 0.0000 33833.6862 -149597.1912 295.4780 -183430.8774 -149500.5195 298.1771 171.5986 204.4509 557493.9753 2.4166 2.4274 PRESSURE: 2398400 180.075 108.489 73.7687 108.489 -159.26 95.1604 73.769 95.1582 -65.048 GPRESSURE: 2398400 216.289 -28.8064 36.768 186.595 -143.309 138.342 69.1136 78.8938 -25.8323 PRESSAVG: 2398400 -20.2038 -20.7161 29.0813 -20.7161 52.4751 54.1263 29.0814 54.1262 -27.3204 GPRESSAVG: 2398400 -20.0803 -21.7724 29.564 -18.6919 51.8985 54.6126 27.5112 55.4135 -27.4764 TIMING: 2398400 CPU: 7157.86, 0.00296145/step Wall: 7157.86, 0.00296145/step, 2.14014 hours remaining, 207.242188 MB of memory in use. ENERGY: 2398400 713.2950 2134.4755 1925.8377 108.0242 -206499.3241 17870.2450 0.0000 0.0000 34138.8059 -149608.6409 298.1427 -183747.4468 -149518.6182 298.3726 -14.7443 15.7162 555777.8352 1.6503 1.4472 PRESSURE: 2398600 -413.78 237.184 -102.589 237.185 -104.071 -50.8153 -102.589 -50.8139 45.5066 GPRESSURE: 2398600 -378.222 199.012 -72.9934 239.562 -76.2694 -73.1988 -51.9123 -11.9658 64.1577 PRESSAVG: 2398600 19.217 -5.54336 3.89556 -5.54333 -18.0317 24.9677 3.89555 24.9676 -23.3024 GPRESSAVG: 2398600 18.0373 -5.81529 4.54177 -6.59412 -17.9295 23.0198 5.61343 26.0778 -21.6839 TIMING: 2398600 CPU: 7158.45, 0.00298312/step Wall: 7158.45, 0.00298312/step, 2.15564 hours remaining, 207.308594 MB of memory in use. ENERGY: 2398600 740.6654 2124.3642 1941.0593 100.0944 -205917.9402 17390.5233 0.0000 0.0000 34116.6039 -149504.6297 297.9488 -183621.2336 -149407.9925 298.3538 -157.4481 -130.1114 557070.2755 -7.3724 -7.1920 PRESSURE: 2398800 -157.993 -16.0049 148.465 -16.0051 -193.8 -12.9316 148.466 -12.9298 43.7706 GPRESSURE: 2398800 -141.985 83.2901 190.765 6.62412 -202.062 -26.7152 64.4675 -20.936 143.492 PRESSAVG: 2398800 12.4766 -23.6248 -6.6548 -23.6249 19.1189 8.80768 -6.65488 8.80765 2.1622 GPRESSAVG: 2398800 12.9754 -22.687 -7.11716 -23.2426 19.0346 11.5589 -7.85342 7.21848 1.58672 TIMING: 2398800 CPU: 7159.05, 0.00297348/step Wall: 7159.05, 0.00297348/step, 2.1485 hours remaining, 207.308594 MB of memory in use. ENERGY: 2398800 740.5209 2050.5576 1940.1202 103.9208 -206242.4398 17656.0563 0.0000 0.0000 34256.9710 -149494.2930 299.1746 -183751.2641 -149399.3902 298.7755 -102.6742 -66.8516 557139.7408 11.2526 11.1989 PRESSURE: 2399000 183.143 -20.3617 -3.69837 -20.3621 -111.663 101.897 -3.69863 101.898 154.094 GPRESSURE: 2399000 206.612 -60.3674 -5.78612 -3.5248 -40.5815 66.3606 55.384 82.4391 149.115 PRESSAVG: 2399000 -48.3068 3.84791 -2.56512 3.84783 1.33976 -24.7589 -2.5651 -24.7589 0.306724 GPRESSAVG: 2399000 -47.316 3.84135 -1.52347 1.92207 0.59702 -25.7053 -3.73313 -24.6802 -0.71429 TIMING: 2399000 CPU: 7159.64, 0.0029379/step Wall: 7159.64, 0.0029379/step, 2.12263 hours remaining, 207.308594 MB of memory in use. ENERGY: 2399000 705.5865 2078.3660 1934.7931 107.8923 -206566.9194 17991.8731 0.0000 0.0000 34120.9668 -149627.4416 297.9869 -183748.4084 -149534.0361 298.4402 75.1912 105.0485 557495.6825 -15.5534 -15.8111 PRESSURE: 2399200 51.7936 101.87 -12.9593 101.869 93.0521 218.181 -12.9598 218.18 -425.419 GPRESSURE: 2399200 89.3294 157.714 -2.17408 159.682 67.087 318.556 10.0648 137.422 -347.741 PRESSAVG: 2399200 4.31445 -14.7536 38.7982 -14.7536 -63.6272 1.50607 38.7983 1.50598 24.8103 GPRESSAVG: 2399200 2.98481 -13.6103 38.073 -13.858 -62.82 1.28501 40.7603 2.06018 25.4906 TIMING: 2399200 CPU: 7160.23, 0.00295047/step Wall: 7160.23, 0.00295047/step, 2.13155 hours remaining, 207.308594 MB of memory in use. ENERGY: 2399200 741.9832 2032.7233 1938.6857 121.7635 -206528.1620 17854.5935 0.0000 0.0000 34044.1104 -149794.3025 297.3157 -183838.4128 -149699.9808 297.5947 -93.5244 -63.7748 557709.9660 -11.5008 -11.4482 PRESSURE: 2399400 -19.6119 108.993 83.2192 108.993 30.7934 34.9473 83.2192 34.9464 -117.36 GPRESSURE: 2399400 -19.1973 121.955 90.9475 57.6394 98.1256 73.2967 140.69 64.7911 -80.9355 PRESSAVG: 2399400 43.3213 24.3729 44.8817 24.3729 -81.2605 -30.0517 44.8817 -30.0516 15.2986 GPRESSAVG: 2399400 44.2744 24.5974 43.4722 24.7107 -81.2997 -28.7714 44.8821 -31.0746 15.1436 TIMING: 2399400 CPU: 7160.82, 0.00294839/step Wall: 7160.82, 0.00294839/step, 2.12988 hours remaining, 207.308594 MB of memory in use. ENERGY: 2399400 770.7398 2027.0893 1930.5348 124.1431 -206568.4248 17819.9692 0.0000 0.0000 34144.1629 -149751.7857 298.1895 -183895.9487 -149660.1344 297.6453 -35.3929 -0.6691 556606.8530 -7.5468 -7.2939 PRESSURE: 2399600 -178.452 37.2017 -61.6487 37.2014 -239.029 -234.658 -61.6486 -234.657 32.3438 GPRESSURE: 2399600 -114.948 21.5617 -0.279979 22.8786 -216.722 -323.928 -46.8351 -152.467 35.6946 PRESSAVG: 2399600 -8.6155 34.3651 38.1983 34.3651 39.7757 -48.0998 38.1983 -48.0997 -21.8731 GPRESSAVG: 2399600 -7.8423 31.6898 39.9028 33.7659 38.0524 -49.5333 36.7691 -47.4302 -21.326 TIMING: 2399600 CPU: 7161.4, 0.0029427/step Wall: 7161.4, 0.0029427/step, 2.12561 hours remaining, 207.308594 MB of memory in use. ENERGY: 2399600 727.4563 2145.1140 1940.3584 126.3983 -206540.6901 17731.9472 0.0000 0.0000 34052.9437 -149816.4722 297.3928 -183869.4159 -149719.2014 298.0920 -128.3791 -98.6587 558143.2742 3.0957 2.9614 PRESSURE: 2399800 -233.564 12.8208 182.112 12.8214 102.428 -46.9322 182.112 -46.9325 229.401 GPRESSURE: 2399800 -141.39 41.3656 250.675 -13.0453 150.27 -17.3489 171.758 -82.3029 183.118 PRESSAVG: 2399800 -15.9889 2.0033 19.811 2.0033 -57.1305 -42.0905 19.8111 -42.0904 45.9756 GPRESSAVG: 2399800 -16.5171 3.123 19.7261 0.614512 -56.2015 -41.0422 20.0689 -42.0507 45.5086 TIMING: 2399800 CPU: 7161.99, 0.00292866/step Wall: 7161.99, 0.00292866/step, 2.11531 hours remaining, 207.308594 MB of memory in use. ENERGY: 2399800 745.8840 2106.5239 1892.0700 108.4064 -206703.6094 18020.8021 0.0000 0.0000 34162.1042 -149667.8188 298.3462 -183829.9230 -149568.6541 297.8615 32.7551 63.9995 557437.5454 -9.0479 -9.0700 PRESSURE: 2400000 -41.4818 -140.897 -38.1926 -140.898 18.5371 -20.4261 -38.1923 -20.4258 -81.1115 GPRESSURE: 2400000 67.3198 -127.644 27.2986 -95.431 12.7926 -45.6926 -34.9819 -80.3429 -92.6667 PRESSAVG: 2400000 -2.068 -0.670583 14.3418 -0.670604 10.4032 -64.0673 14.3418 -64.0673 -2.85172 GPRESSAVG: 2400000 -1.94837 -0.623451 15.4779 1.23896 11.2166 -62.6107 14.8497 -65.4845 -3.43178 TIMING: 2400000 CPU: 7162.59, 0.00299307/step Wall: 7162.59, 0.00299307/step, 2.16166 hours remaining, 207.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2400000 737.8599 2055.0513 1952.2354 130.1456 -206609.5756 17786.9201 0.0000 0.0000 34214.9773 -149732.3861 298.8079 -183947.3634 -149639.6804 298.0703 -34.6854 -4.1848 556857.1050 1.8278 1.9455 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2400000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 2400000 WRITING COORDINATES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2400200 200.725 -146.452 109.663 -146.452 118.77 -80.2462 109.662 -80.2471 234.112 GPRESSURE: 2400200 220.896 -161.01 182.642 -118.111 112.87 -116.044 99.9067 -45.5658 300.534 PRESSAVG: 2400200 26.6873 -15.4261 75.6668 -15.426 3.76444 -11.3827 75.6668 -11.3828 -12.6748 GPRESSAVG: 2400200 27.4955 -13.6605 76.3721 -16.7083 4.28868 -12.3607 75.7782 -10.9267 -13.8142 TIMING: 2400200 CPU: 7163.2, 0.00305235/step Wall: 7163.2, 0.00305235/step, 2.20431 hours remaining, 207.433594 MB of memory in use. ENERGY: 2400200 743.1507 2012.6117 1933.2643 117.7968 -206716.8777 18197.1446 0.0000 0.0000 34024.2092 -149688.7004 297.1419 -183712.9096 -149597.7076 298.4167 184.5358 211.4332 557093.9719 5.9256 5.9900 LDB: ============= START OF LOAD BALANCING ============== 7166.74 LDB: ============== END OF LOAD BALANCING =============== 7166.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7166.75 LDB: ============= START OF LOAD BALANCING ============== 7167.04 LDB: Largest compute 4773 load 0.028153 is 23.8% of average load 0.118198 LDB: Average compute 0.001740 is 1.5% of average load 0.118198 LDB: TIME 7167.05 LOAD: AVG 0.118198 MAX 0.201903 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.473 MB LDB: TIME 7167.05 LOAD: AVG 0.118198 MAX 0.201903 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.535 MB LDB: TIME 7167.05 LOAD: AVG 0.118198 MAX 0.201903 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.535 MB LDB: ============== END OF LOAD BALANCING =============== 7167.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7167.05 PRESSURE: 2400400 -223.311 128.411 -6.05401 128.412 -158.39 -5.78319 -6.05398 -5.78265 -81.1208 GPRESSURE: 2400400 -201.353 121.563 -117.583 166.02 -128.675 -72.585 -1.89407 21.1965 -43.6596 PRESSAVG: 2400400 -9.15465 -32.5994 2.83008 -32.5994 19.8633 -32.4938 2.83017 -32.4937 4.54603 GPRESSAVG: 2400400 -11.2563 -33.0021 0.569157 -31.2407 20.195 -33.3928 3.67359 -33.3864 7.38312 TIMING: 2400400 CPU: 7163.8, 0.00301786/step Wall: 7163.8, 0.00301786/step, 2.17923 hours remaining, 206.984375 MB of memory in use. ENERGY: 2400400 703.8739 2108.2835 1914.8409 115.9812 -206367.0161 17650.9129 0.0000 0.0000 34164.5303 -149708.5935 298.3673 -183873.1238 -149611.0837 297.8929 -154.2737 -124.5625 558061.9198 5.0849 5.4406 PRESSURE: 2400600 -148.047 -144.516 -49.9502 -144.516 -10.4701 103.637 -49.9504 103.636 -65.5535 GPRESSURE: 2400600 -96.671 -165.882 -107.054 -63.2623 62.1299 131.424 -68.312 111.15 -86.0458 PRESSAVG: 2400600 25.5242 -11.972 -9.83713 -11.972 -17.4374 47.279 -9.83716 47.2791 -12.2364 GPRESSAVG: 2400600 26.6549 -13.0541 -11.3723 -12.3234 -18.2394 47.6261 -10.9972 48.4289 -12.958 TIMING: 2400600 CPU: 7164.39, 0.00294943/step Wall: 7164.39, 0.00294943/step, 2.12965 hours remaining, 207.242188 MB of memory in use. ENERGY: 2400600 740.3521 2070.1901 1906.2382 114.4087 -206380.4169 17784.3007 0.0000 0.0000 34085.4992 -149679.4279 297.6771 -183764.9271 -149594.9205 297.8939 -74.6902 -40.1956 557132.6038 -1.3832 -1.5142 PRESSURE: 2400800 471.676 -48.9047 162.099 -48.9053 221.166 -28.5167 162.099 -28.5175 49.3877 GPRESSURE: 2400800 449.569 -121.831 141.618 -42.9461 244.161 81.0125 167.778 -48.6119 142.286 PRESSAVG: 2400800 -33.7265 -16.3874 -32.0982 -16.3873 10.4637 19.6918 -32.0982 19.6918 -47.2379 GPRESSAVG: 2400800 -33.7409 -14.1545 -29.516 -17.7861 10.6965 20.344 -32.4826 19.6883 -47.3879 TIMING: 2400800 CPU: 7164.98, 0.0029492/step Wall: 7164.98, 0.0029492/step, 2.12932 hours remaining, 207.242188 MB of memory in use. ENERGY: 2400800 726.2704 2038.9370 1919.0946 110.2596 -206950.6178 18293.3308 0.0000 0.0000 33979.7311 -149882.9943 296.7534 -183862.7253 -149789.7958 297.4793 247.4100 278.6720 556152.2253 -23.5002 -23.4774 PRESSURE: 2401000 107.522 1.75895 12.6131 1.75912 -390.943 157.374 12.6126 157.373 -212.375 GPRESSURE: 2401000 80.7798 9.87295 28.7433 2.04409 -337.127 182.329 -25.2534 183.398 -141.963 PRESSAVG: 2401000 87.2818 -3.58277 -33.8581 -3.58259 -39.1426 73.5215 -33.8581 73.5215 -9.5941 GPRESSAVG: 2401000 86.3797 -5.97909 -37.6834 -2.15235 -38.8526 71.8629 -34.1546 73.7803 -9.5926 TIMING: 2401000 CPU: 7165.57, 0.00295604/step Wall: 7165.57, 0.00295604/step, 2.1341 hours remaining, 207.242188 MB of memory in use. ENERGY: 2401000 767.9305 2081.3198 1930.8245 122.3128 -206642.2899 17882.8202 0.0000 0.0000 33905.7897 -149951.2924 296.1077 -183857.0821 -149856.7936 297.0996 -165.2652 -132.7701 558280.1024 12.8484 12.6448 PRESSURE: 2401200 64.4653 -10.7804 -1.14728 -10.7811 -185.609 37.6717 -1.14673 37.6714 -192.055 GPRESSURE: 2401200 89.9306 54.6238 11.7043 -31.2896 -144.011 19.2369 71.6798 -25.0828 -144.592 PRESSAVG: 2401200 25.4712 7.13393 38.6448 7.13383 -13.9728 24.5466 38.6447 24.5465 -18.1702 GPRESSAVG: 2401200 26.8434 7.07315 41.9569 7.02837 -15.2025 25.4581 39.2168 24.2204 -18.3714 TIMING: 2401200 CPU: 7166.17, 0.00296753/step Wall: 7166.17, 0.00296753/step, 2.14222 hours remaining, 207.242188 MB of memory in use. ENERGY: 2401200 742.6113 2102.7379 1888.4301 102.0313 -206322.7932 17736.0902 0.0000 0.0000 34005.4404 -149745.4519 296.9780 -183750.8923 -149647.8219 297.0537 -104.3995 -66.2242 557699.4143 -2.2239 -2.2435 PRESSURE: 2401400 -147.606 23.0161 -166.808 23.0166 -188.192 9.53627 -166.806 9.5365 -133.614 GPRESSURE: 2401400 -97.1659 -75.511 -209.175 -65.0357 -133.302 32.7733 -218.001 15.0905 -145.34 PRESSAVG: 2401400 65.8357 -51.6733 -5.11879 -51.6733 -6.39905 25.3432 -5.11873 25.3432 -42.6067 GPRESSAVG: 2401400 64.8339 -50.7764 -6.42565 -52.6583 -5.74445 27.3801 -3.51369 24.9265 -42.0685 TIMING: 2401400 CPU: 7166.76, 0.00295057/step Wall: 7166.76, 0.00295057/step, 2.12982 hours remaining, 207.242188 MB of memory in use. ENERGY: 2401400 723.4049 2033.2898 1927.4885 119.4957 -206158.7217 17551.6747 0.0000 0.0000 34064.9933 -149738.3746 297.4981 -183803.3679 -149630.1827 296.9352 -156.4704 -125.2691 558263.7017 5.6100 5.6737 PRESSURE: 2401600 124.914 -45.1323 49.7384 -45.1315 -27.3092 -23.5679 49.7393 -23.5669 -45.0649 GPRESSURE: 2401600 133.747 -26.2891 -28.6114 29.1095 -5.82829 7.63383 71.5984 -82.7405 15.6974 PRESSAVG: 2401600 4.93821 33.8115 -16.1467 33.8115 -18.9216 -17.8912 -16.1468 -17.8911 -25.122 GPRESSAVG: 2401600 5.25139 35.4294 -13.6205 33.9808 -18.6688 -19.5401 -18.3141 -17.5887 -25.6584 TIMING: 2401600 CPU: 7167.35, 0.0029501/step Wall: 7167.35, 0.0029501/step, 2.12932 hours remaining, 207.242188 MB of memory in use. ENERGY: 2401600 734.2526 1994.0396 1930.1645 111.9741 -206586.1563 17898.3406 0.0000 0.0000 34207.5276 -149709.8574 298.7428 -183917.3849 -149613.4365 297.2209 17.5135 47.8720 557371.9614 -13.0351 -13.0253 PRESSURE: 2401800 -51.6286 43.5426 108.555 43.5435 -260.559 -105.023 108.556 -105.022 404.748 GPRESSURE: 2401800 -44.0144 63.2788 208.254 -32.763 -177.316 -98.751 97.1415 -146.331 406.225 PRESSAVG: 2401800 48.149 60.6759 56.5507 60.6759 -89.1201 -31.3204 56.5507 -31.3204 27.7019 GPRESSAVG: 2401800 47.4331 56.8532 53.652 60.9683 -87.7773 -31.7825 57.7538 -31.5712 27.2687 TIMING: 2401800 CPU: 7167.94, 0.00297024/step Wall: 7167.94, 0.00297023/step, 2.14368 hours remaining, 207.242188 MB of memory in use. ENERGY: 2401800 735.5638 2054.6692 1918.9099 102.4107 -206413.4561 17769.4192 0.0000 0.0000 34093.2717 -149739.2116 297.7450 -183832.4833 -149645.5834 297.7377 30.8536 61.6316 557001.0913 -4.4231 -4.3585 PRESSURE: 2402000 96.9102 18.1343 -11.0792 18.135 88.8506 -171.649 -11.0791 -171.648 -200.329 GPRESSURE: 2402000 65.3982 -14.1897 -88.9343 19.0488 133.444 -93.0653 11.6789 -244.181 -103.536 PRESSAVG: 2402000 57.3906 16.0201 61.9335 16.0202 -40.7316 -23.6436 61.9335 -23.6436 18.5672 GPRESSAVG: 2402000 58.5628 17.8408 62.5062 17.2758 -41.7052 -24.2725 61.179 -22.803 18.7392 TIMING: 2402000 CPU: 7168.53, 0.00296364/step Wall: 7168.53, 0.00296364/step, 2.13876 hours remaining, 207.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2402000 742.2431 2118.1831 1939.0859 115.3088 -206509.9192 17800.9875 0.0000 0.0000 34294.5198 -149499.5909 299.5026 -183794.1107 -149413.6427 297.8158 -4.8562 31.7687 556373.3844 11.7421 11.8656 PRESSURE: 2402200 -245.287 135.281 -243.651 135.281 -172.172 -60.3066 -243.651 -60.3061 -171.969 GPRESSURE: 2402200 -207.904 154.669 -139.906 42.7036 -191.299 -16.2627 -211.387 -55.5918 -103.892 PRESSAVG: 2402200 13.2293 7.83496 -8.22749 7.83494 -77.1847 -12.6384 -8.22741 -12.6383 12.4738 GPRESSAVG: 2402200 13.7727 6.9023 -6.58544 9.37876 -78.5374 -12.6569 -8.90652 -12.5927 12.6453 TIMING: 2402200 CPU: 7169.12, 0.00294735/step Wall: 7169.12, 0.00294735/step, 2.12684 hours remaining, 207.242188 MB of memory in use. ENERGY: 2402200 745.6070 2104.9645 1937.6503 109.2823 -205919.0763 17497.8244 0.0000 0.0000 34109.2673 -149414.4806 297.8847 -183523.7478 -149324.3096 298.1844 -196.4761 -167.6980 556642.6679 -17.1605 -17.3732 PRESSURE: 2402400 114.855 -34.9692 97.8657 -34.9698 21.66 73.5528 97.8652 73.5529 327.305 GPRESSURE: 2402400 107.76 -67.6592 17.9295 92.0056 95.5558 -29.6277 88.7291 25.42 353.739 PRESSAVG: 2402400 -2.70382 -39.1094 -14.1198 -39.1094 -1.71955 21.2341 -14.1198 21.2341 -26.9525 GPRESSAVG: 2402400 -3.23711 -40.2691 -15.9732 -39.8924 -0.488253 21.2789 -13.8654 19.7698 -27.9954 TIMING: 2402400 CPU: 7169.72, 0.00299075/step Wall: 7169.72, 0.00299075/step, 2.15799 hours remaining, 207.242188 MB of memory in use. ENERGY: 2402400 736.7398 2111.0093 1920.6448 116.7583 -206521.7432 18083.5842 0.0000 0.0000 34202.9943 -149350.0125 298.7033 -183553.0068 -149252.0297 299.2013 154.6068 185.6850 555339.5063 -10.4586 -10.5736 PRESSURE: 2402600 -167.731 -5.67866 26.9266 -5.67984 -8.18622 134.584 26.9267 134.583 -70.5465 GPRESSURE: 2402600 -191.066 54.781 62.9221 25.3056 67.0763 97.6335 12.7127 161.499 -19.8092 PRESSAVG: 2402600 40.8732 -51.712 22.8206 -51.7121 9.84729 8.7474 22.8206 8.74737 0.269481 GPRESSAVG: 2402600 39.1958 -50.3279 23.5666 -53.3499 10.1266 9.96439 22.7009 8.45836 1.35889 TIMING: 2402600 CPU: 7170.31, 0.00294421/step Wall: 7170.31, 0.00294421/step, 2.12425 hours remaining, 207.242188 MB of memory in use. ENERGY: 2402600 724.1850 2082.4341 1935.7072 113.7545 -206040.5516 17657.9492 0.0000 0.0000 34218.3502 -149308.1713 298.8374 -183526.5215 -149212.7134 298.9705 -82.1544 -47.9331 556670.4579 16.9967 16.8938 PRESSURE: 2402800 -71.177 176.117 40.9087 176.119 94.2682 -36.7719 40.9078 -36.7727 -275.362 GPRESSURE: 2402800 22.0804 196.859 -49.7674 218.996 105.933 -57.8104 -4.5915 -111.913 -284.168 PRESSAVG: 2402800 -3.35082 -25.642 13.5445 -25.6421 24.5082 12.3901 13.5445 12.3901 -57.9807 GPRESSAVG: 2402800 -2.40888 -24.8787 14.2923 -26.7903 23.4588 8.28898 13.5818 14.4152 -57.8336 TIMING: 2402800 CPU: 7170.9, 0.00292723/step Wall: 7170.9, 0.00292723/step, 2.11183 hours remaining, 207.242188 MB of memory in use. ENERGY: 2402800 716.1586 2112.6210 1933.8730 107.9564 -206159.4640 17629.0140 0.0000 0.0000 34415.6408 -149244.2001 300.5604 -183659.8409 -149144.1276 299.5339 -84.0904 -52.0516 558234.7519 -12.2745 -12.2612 PRESSURE: 2403000 -221.598 -253.988 -176.101 -253.988 -159.015 86.5257 -176.102 86.5264 -251.967 GPRESSURE: 2403000 -172.054 -149.679 -209.91 -301.797 -124.701 66.7088 -198.227 9.10523 -228.307 PRESSAVG: 2403000 79.5199 -2.32085 -34.7027 -2.3208 -35.3455 -11.3707 -34.7026 -11.3708 -21.0936 GPRESSAVG: 2403000 79.7923 -3.68142 -36.0463 0.380345 -34.2281 -7.48955 -34.9377 -15.0117 -22.1772 TIMING: 2403000 CPU: 7171.48, 0.00291988/step Wall: 7171.48, 0.00291988/step, 2.10637 hours remaining, 207.242188 MB of memory in use. ENERGY: 2403000 773.0306 2110.3489 1955.4509 118.0833 -206150.2315 17807.3309 0.0000 0.0000 34262.5159 -149123.4709 299.2231 -183385.9868 -149035.0015 300.4837 -210.8602 -175.0205 558650.5625 7.6936 7.7957 PRESSURE: 2403200 284.6 41.7613 87.8893 41.7612 -231.705 67.999 87.8885 67.998 -40.8767 GPRESSURE: 2403200 257.975 93.2844 51.4725 10.4252 -163.489 119.772 69.1689 58.8808 16.2567 PRESSAVG: 2403200 34.7042 31.8083 -22.6563 31.8084 -6.39307 0.623115 -22.6563 0.623274 -11.5319 GPRESSAVG: 2403200 34.6845 32.6664 -20.2394 29.5355 -6.87533 0.347468 -24.0357 1.74967 -10.9479 TIMING: 2403200 CPU: 7172.06, 0.00291868/step Wall: 7172.06, 0.00291868/step, 2.10534 hours remaining, 207.242188 MB of memory in use. ENERGY: 2403200 733.6310 2084.5215 1944.0276 106.0171 -206167.1594 17803.6622 0.0000 0.0000 34446.2422 -149049.0578 300.8276 -183495.3000 -148958.3935 299.5868 4.0063 36.9141 557477.5050 5.5931 5.6204 PRESSURE: 2403400 46.612 23.9863 127.827 23.9856 -228.259 4.00917 127.828 4.00971 85.2587 GPRESSURE: 2403400 120.555 13.296 85.0033 84.4146 -174.841 -33.8087 162.471 53.6711 44.5081 PRESSAVG: 2403400 42.836 11.2701 8.8029 11.2701 -9.49815 26.5985 8.803 26.5984 -19.6949 GPRESSAVG: 2403400 42.9313 8.65311 4.50631 14.7556 -9.34399 24.8487 10.4129 28.2289 -19.7324 TIMING: 2403400 CPU: 7172.65, 0.00295526/step Wall: 7172.65, 0.00295526/step, 2.13156 hours remaining, 207.242188 MB of memory in use. ENERGY: 2403400 731.7596 2125.5205 1915.5624 97.1887 -206111.3809 17731.4124 0.0000 0.0000 34312.1766 -149197.7607 299.6568 -183509.9372 -149099.0397 298.7766 -32.1295 -3.2593 558058.0220 4.5477 4.6183 PRESSURE: 2403600 -186.81 123.702 -265.158 123.702 158.239 -75.0147 -265.158 -75.0138 284.47 GPRESSURE: 2403600 -210.471 83.4256 -180.518 59.4981 206.021 -91.1561 -265.951 -77.524 351.333 PRESSAVG: 2403600 -10.8577 -21.0423 35.8748 -21.0423 -7.59712 -29.5095 35.8748 -29.5097 10.1575 GPRESSAVG: 2403600 -9.61783 -15.9911 39.4952 -25.9458 -9.22853 -27.6683 36.012 -29.8427 10.451 TIMING: 2403600 CPU: 7173.25, 0.00296575/step Wall: 7173.25, 0.00296575/step, 2.13896 hours remaining, 207.242188 MB of memory in use. ENERGY: 2403600 730.3741 2091.5864 1948.9141 115.2596 -206179.4811 17924.7251 0.0000 0.0000 34314.2955 -149054.3263 299.6753 -183368.6218 -148960.8643 299.3760 85.2997 115.6279 557861.1647 -2.7658 -2.7985 PRESSURE: 2403800 -35.619 -81.7343 -39.1923 -81.7347 175.91 -98.0819 -39.1921 -98.082 148.802 GPRESSURE: 2403800 4.85799 -152.894 -79.9633 -83.4014 197.054 -63.268 33.0944 -121.685 179.74 PRESSAVG: 2403800 -45.8054 -40.899 6.38023 -40.899 50.4116 -42.1691 6.38025 -42.169 -33.5137 GPRESSAVG: 2403800 -46.6118 -43.9619 4.31227 -37.1763 52.1079 -42.7297 8.09075 -43.0702 -34.3208 TIMING: 2403800 CPU: 7173.84, 0.00294827/step Wall: 7173.84, 0.00294827/step, 2.1262 hours remaining, 207.242188 MB of memory in use. ENERGY: 2403800 728.5421 2095.8647 1959.5224 123.9687 -206256.9606 17913.6378 0.0000 0.0000 34317.2167 -149118.2081 299.7008 -183435.4248 -149024.9655 299.0249 96.3645 127.2173 558366.9502 -9.6358 -9.6082 PRESSURE: 2404000 -50.2992 40.3717 -32.6414 40.3706 -80.1699 -5.52574 -32.6407 -5.52325 45.1393 GPRESSURE: 2404000 -63.553 127.941 -14.6388 -59.2886 -13.5464 33.3425 -25.9563 59.4277 80.9916 PRESSAVG: 2404000 -31.3594 -9.12152 -13.0418 -9.12147 11.0387 11.4224 -13.0416 11.4225 5.90856 GPRESSAVG: 2404000 -32.2387 -11.1874 -11.7433 -8.52887 10.9247 10.6233 -15.2856 13.1457 7.22064 TIMING: 2404000 CPU: 7174.43, 0.00294766/step Wall: 7174.43, 0.00294766/step, 2.12559 hours remaining, 207.242188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2404000 757.7092 2082.4586 1954.8334 117.0608 -206352.2083 17947.2618 0.0000 0.0000 34106.9104 -149385.9741 297.8641 -183492.8845 -149291.2731 299.0568 -28.4433 1.2974 556921.8977 -4.8041 -4.6978 PRESSURE: 2404200 -12.1823 -74.1145 -50.6107 -74.1143 33.9997 105.686 -50.6119 105.685 233.727 GPRESSURE: 2404200 -30.4125 -82.9767 -0.718094 -125.802 101.901 157.839 -12.7563 52.5265 284.367 PRESSAVG: 2404200 -57.1162 -1.33544 -55.4135 -1.33548 39.5352 -21.8717 -55.4135 -21.8718 36.5625 GPRESSAVG: 2404200 -56.5034 -0.209979 -56.8074 -2.46872 38.4424 -21.2832 -53.8068 -22.1335 37.1087 TIMING: 2404200 CPU: 7175.02, 0.00297802/step Wall: 7175.02, 0.00297802/step, 2.14732 hours remaining, 207.296875 MB of memory in use. ENERGY: 2404200 724.6255 2087.9402 1919.7577 116.4787 -205933.7545 17668.5455 0.0000 0.0000 34184.8990 -149231.5080 298.5452 -183416.4070 -149137.2946 299.1947 85.1814 118.6187 556784.9611 6.3272 6.3492 LDB: ============= START OF LOAD BALANCING ============== 7178.57 LDB: ============== END OF LOAD BALANCING =============== 7178.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7178.57 LDB: ============= START OF LOAD BALANCING ============== 7178.86 LDB: Largest compute 4773 load 0.028533 is 24.1% of average load 0.118263 LDB: Average compute 0.001741 is 1.5% of average load 0.118263 LDB: TIME 7178.87 LOAD: AVG 0.118263 MAX 0.202181 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.469 MB LDB: TIME 7178.87 LOAD: AVG 0.118263 MAX 0.202181 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.531 MB LDB: TIME 7178.87 LOAD: AVG 0.118263 MAX 0.202181 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.531 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7178.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7178.87 PRESSURE: 2404400 -144.862 -63.6532 -28.0542 -63.6525 -139.767 -58.0454 -28.0532 -58.0441 -60.54 GPRESSURE: 2404400 -96.5765 -29.2029 -94.2894 -55.7524 -89.474 -88.094 -17.932 -31.0043 -71.1144 PRESSAVG: 2404400 -43.6904 -55.3351 -52.6648 -55.3351 35.9265 29.5268 -52.6649 29.5268 -8.18027 GPRESSAVG: 2404400 -44.0863 -53.5779 -51.5542 -56.5338 35.3419 28.8546 -53.9306 29.4123 -7.80947 TIMING: 2404400 CPU: 7175.62, 0.00300706/step Wall: 7175.62, 0.00300706/step, 2.16809 hours remaining, 208.265625 MB of memory in use. ENERGY: 2404400 791.8284 2135.7248 1898.2270 103.1944 -206304.2406 17775.4776 0.0000 0.0000 34463.0419 -149136.7464 300.9743 -183599.7884 -149037.4583 299.5980 -115.0562 -85.7217 557534.3081 -5.3147 -5.5179 PRESSURE: 2404600 162.184 -130.776 -23.5016 -130.777 259.06 69.8593 -23.5019 69.8586 167.139 GPRESSURE: 2404600 206.083 -171.526 16.1745 -126.461 283.924 103.613 -81.4499 53.3364 188.411 PRESSAVG: 2404600 -7.89951 -15.1227 10.8349 -15.1228 17.92 -36.556 10.8348 -36.556 67.0231 GPRESSAVG: 2404600 -8.48304 -16.2932 7.91099 -14.1229 18.888 -35.0174 12.6889 -37.7672 66.0103 TIMING: 2404600 CPU: 7176.21, 0.00294688/step Wall: 7176.21, 0.00294688/step, 2.12454 hours remaining, 208.726562 MB of memory in use. ENERGY: 2404600 745.9465 2030.9547 1958.8586 113.2195 -206442.3517 18050.0508 0.0000 0.0000 34447.3004 -149096.0211 300.8368 -183543.3215 -148997.5151 300.4401 196.1275 226.1394 557312.5761 25.6812 25.4718 PRESSURE: 2404800 56.4154 175.782 34.3172 175.781 -17.9949 20.1264 34.3175 20.1273 50.2463 GPRESSURE: 2404800 42.9017 142.67 54.5896 155.867 59.7527 39.5216 42.6958 -7.57806 87.8994 PRESSAVG: 2404800 -28.562 -2.0133 13.7668 -2.01335 0.666904 39.2945 13.7668 39.2945 25.5318 GPRESSAVG: 2404800 -28.6828 -2.01228 14.375 -2.92472 1.05009 37.0469 12.5456 41.1104 26.0671 TIMING: 2404800 CPU: 7176.81, 0.0029729/step Wall: 7176.81, 0.0029729/step, 2.14313 hours remaining, 208.726562 MB of memory in use. ENERGY: 2404800 735.7906 2102.5938 1918.6410 117.4497 -205984.3189 17765.1345 0.0000 0.0000 34307.3102 -149037.3992 299.6143 -183344.7094 -148937.9111 299.1479 29.5556 63.5179 558570.5613 -0.7878 -0.5219 PRESSURE: 2405000 -262.672 -15.4854 -84.3335 -15.4858 -84.3459 -120.025 -84.3339 -120.025 -415.371 GPRESSURE: 2405000 -234.311 26.8317 -50.8161 -15.4294 -48.1758 -176.447 11.108 -190.131 -394.67 PRESSAVG: 2405000 -2.88576 -41.6159 56.3532 -41.6159 56.5655 21.3126 56.3533 21.3125 -25.5228 GPRESSAVG: 2405000 -1.69723 -41.7575 56.9461 -41.0786 57.9729 22.4228 57.7225 21.0879 -27.7262 TIMING: 2405000 CPU: 7177.41, 0.00299187/step Wall: 7177.41, 0.00299187/step, 2.15664 hours remaining, 208.726562 MB of memory in use. ENERGY: 2405000 748.1302 2103.7569 1954.4914 126.2314 -205670.1382 17471.3668 0.0000 0.0000 34251.6640 -149014.4976 299.1283 -183266.1616 -148914.4074 299.3487 -254.1294 -225.7190 560384.9836 9.3856 9.5165 PRESSURE: 2405200 -251.79 -14.1148 -59.1252 -14.1147 -111.615 134.304 -59.1244 134.306 -301.937 GPRESSURE: 2405200 -279.454 -25.5911 -79.8812 -51.4959 -18.7385 97.8065 -86.5348 175.005 -267.507 PRESSAVG: 2405200 10.2977 -49.4335 -4.43502 -49.4335 39.5274 -24.4326 -4.43498 -24.4326 -29.6771 GPRESSAVG: 2405200 10.0298 -48.3138 -4.47782 -51.3193 38.2971 -25.8926 -6.36428 -24.5454 -28.0431 TIMING: 2405200 CPU: 7178, 0.00297606/step Wall: 7178, 0.00297606/step, 2.14508 hours remaining, 208.726562 MB of memory in use. ENERGY: 2405200 747.2003 2073.3559 1973.5879 119.5643 -205627.8170 17474.7639 0.0000 0.0000 33997.3518 -149241.9929 296.9073 -183239.3447 -149151.3270 298.4963 -221.7808 -188.5666 559668.5426 6.7160 6.7613 PRESSURE: 2405400 -78.6156 53.5601 -7.35365 53.5601 -26.2625 -71.8101 -7.35357 -71.8101 -469.581 GPRESSURE: 2405400 -74.1829 65.5655 -60.1278 53.994 -54.3261 -50.1818 1.50755 -63.6865 -361.907 PRESSAVG: 2405400 -44.4993 -22.4177 -29.3121 -22.4176 46.8598 -15.9236 -29.3122 -15.9236 -9.97941 GPRESSAVG: 2405400 -43.2968 -25.4692 -27.5338 -20.4573 46.7123 -17.1944 -28.19 -14.2292 -10.7738 TIMING: 2405400 CPU: 7178.6, 0.00297965/step Wall: 7178.6, 0.00297965/step, 2.1475 hours remaining, 208.726562 MB of memory in use. ENERGY: 2405400 763.4365 2102.2604 1920.7614 102.3800 -205913.1643 17556.0424 0.0000 0.0000 34287.1479 -149181.1357 299.4382 -183468.2836 -149084.1740 298.8824 -191.4865 -163.4721 557521.9506 -2.5396 -2.4527 PRESSURE: 2405600 -14.469 -146.931 123.855 -146.932 -23.4187 -52.504 123.855 -52.504 82.9026 GPRESSURE: 2405600 -5.11061 -62.8998 142.406 -121.525 1.88484 8.47388 102.058 -51.3371 155.549 PRESSAVG: 2405600 4.16228 -5.32881 41.6341 -5.32887 26.4742 -76.0473 41.6341 -76.0473 -38.4806 GPRESSAVG: 2405600 2.52724 -3.19523 40.2264 -7.66997 27.2055 -74.4593 41.2182 -77.9897 -37.7251 TIMING: 2405600 CPU: 7179.19, 0.00298596/step Wall: 7179.19, 0.00298596/step, 2.15188 hours remaining, 208.726562 MB of memory in use. ENERGY: 2405600 768.9160 2074.4228 1944.1484 115.7423 -205980.5371 17678.2809 0.0000 0.0000 34260.7846 -149138.2422 299.2080 -183399.0268 -149049.5133 299.1915 15.0050 50.7743 558298.9853 -2.6147 -2.6641 PRESSURE: 2405800 -281.895 -113.588 -88.4219 -113.587 -171.204 -126.536 -88.4229 -126.536 -75.347 GPRESSURE: 2405800 -278.299 -205.727 -60.8385 -53.0542 -132.537 -53.7728 -114.247 -85.6363 -17.1726 PRESSAVG: 2405800 -13.5305 -55.4802 11.202 -55.4802 -18.6624 -54.7352 11.202 -54.7352 23.54 GPRESSAVG: 2405800 -13.2346 -56.7062 12.803 -53.0952 -18.9468 -53.3395 11.8142 -55.5849 23.82 TIMING: 2405800 CPU: 7179.79, 0.00295867/step Wall: 7179.79, 0.00295867/step, 2.13205 hours remaining, 208.726562 MB of memory in use. ENERGY: 2405800 737.8090 2092.4329 1959.4729 98.3798 -206020.3092 17764.4774 0.0000 0.0000 34155.3191 -149212.4182 298.2869 -183367.7373 -149110.8499 299.2861 -176.1484 -142.6694 557396.7439 -2.8843 -2.7871 PRESSURE: 2406000 74.7447 340.305 -29.5539 340.305 -62.347 -20.4745 -29.554 -20.4754 -349.109 GPRESSURE: 2406000 43.3357 430.882 -63.2706 238.016 22.036 -22.7972 -69.4309 -18.0376 -310.622 PRESSAVG: 2406000 20.1619 50.5389 -28.7675 50.5389 10.9093 63.6438 -28.7675 63.6438 -60.7571 GPRESSAVG: 2406000 21.5523 51.7485 -29.4024 47.9064 10.8782 62.4111 -30.3381 63.5915 -62.2824 TIMING: 2406000 CPU: 7180.37, 0.00292639/step Wall: 7180.37, 0.00292639/step, 2.10863 hours remaining, 208.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2406000 776.7189 2000.5133 1951.7981 112.6412 -206094.3281 17854.6532 0.0000 0.0000 34188.6552 -149209.3481 298.5780 -183398.0033 -149106.7103 298.8586 -112.2370 -81.7500 556920.7146 -9.8953 -9.9506 PRESSURE: 2406200 -89.9735 -47.6362 -37.4707 -47.6358 161.414 6.23589 -37.47 6.23655 -54.1622 GPRESSURE: 2406200 -34.5312 -53.7179 -73.9752 -14.3105 162.674 -12.5066 82.7842 51.5178 -4.40103 PRESSAVG: 2406200 -35.6647 67.3543 -5.98063 67.3544 -2.1024 -42.5046 -5.98061 -42.5047 28.014 GPRESSAVG: 2406200 -37.21 66.3625 -8.02474 69.0117 -2.14665 -42.437 -4.57305 -43.1432 29.6494 TIMING: 2406200 CPU: 7180.96, 0.00294041/step Wall: 7180.96, 0.00294041/step, 2.11857 hours remaining, 208.726562 MB of memory in use. ENERGY: 2406200 742.6413 2055.0829 1933.3675 106.9906 -206311.9333 17961.4244 0.0000 0.0000 34170.9263 -149341.5004 298.4232 -183512.4267 -149244.3121 298.7524 5.7593 41.2473 557906.6099 -3.2511 -3.2358 PRESSURE: 2406400 -135.281 98.2942 -118.254 98.2955 -13.7703 64.3438 -118.252 64.341 129.346 GPRESSURE: 2406400 -37.5718 111.273 -53.2876 8.28948 -9.45205 60.7207 -90.6208 142.348 130.235 PRESSAVG: 2406400 -19.5959 70.2707 -6.7347 70.2707 2.32008 23.6507 -6.73481 23.6508 65.3239 GPRESSAVG: 2406400 -18.4009 70.8405 -6.66096 69.5232 3.40166 24.693 -6.37386 27.0281 63.7882 TIMING: 2406400 CPU: 7181.55, 0.00294128/step Wall: 7181.55, 0.00294128/step, 2.11903 hours remaining, 208.726562 MB of memory in use. ENERGY: 2406400 702.9069 2075.9145 1938.3303 113.1744 -206358.9622 17789.3712 0.0000 0.0000 34442.2799 -149296.9850 300.7930 -183739.2649 -149198.1018 298.8661 -6.5686 27.7370 557216.0085 16.0160 16.2630 PRESSURE: 2406600 -106.776 -61.6206 115.339 -61.6218 131.844 2.47159 115.339 2.47209 -216.79 GPRESSURE: 2406600 -117.456 -157.936 54.82 -28.8592 120.554 19.8765 145.23 24.55 -103.696 PRESSAVG: 2406600 -10.7804 28.5614 -34.0613 28.5614 0.798238 36.5424 -34.0612 36.5422 78.566 GPRESSAVG: 2406600 -11.6634 27.3657 -32.6576 31.5413 -0.737354 33.5835 -35.9012 34.4635 80.7217 TIMING: 2406600 CPU: 7182.14, 0.0029442/step Wall: 7182.14, 0.0029442/step, 2.12097 hours remaining, 208.726562 MB of memory in use. ENERGY: 2406600 733.2641 2077.5518 1968.8205 104.9888 -206213.4668 17744.8206 0.0000 0.0000 34419.6255 -149164.3955 300.5952 -183584.0210 -149063.7414 299.3589 -63.9076 -33.5329 557707.4719 22.8613 22.7736 PRESSURE: 2406800 -40.717 290.499 162.458 290.499 118.112 -180.512 162.46 -180.511 -17.2146 GPRESSURE: 2406800 1.51415 360.962 210.918 231.769 138.257 -237.339 80.352 -205.464 17.2888 PRESSAVG: 2406800 30.2202 14.3056 14.6716 14.3056 -1.71112 19.6469 14.6716 19.6468 -12.9858 GPRESSAVG: 2406800 30.8001 14.9025 15.2635 12.7056 -0.26152 22.9845 15.7025 19.3712 -14.6353 TIMING: 2406800 CPU: 7182.73, 0.00295778/step Wall: 7182.73, 0.00295778/step, 2.13058 hours remaining, 208.726562 MB of memory in use. ENERGY: 2406800 752.8203 2113.9763 1949.9655 106.0730 -206048.3346 17793.7183 0.0000 0.0000 34395.1042 -148936.6769 300.3810 -183331.7811 -148839.8517 299.6215 20.0602 52.3533 556295.9486 5.1744 5.3011 PRESSURE: 2407000 -92.1758 -114.166 -74.0253 -114.165 -92.2226 60.5246 -74.0242 60.524 8.07517 GPRESSURE: 2407000 3.78999 -82.8544 -163.035 -93.1547 -94.7169 13.8456 65.7288 4.08338 15.493 PRESSAVG: 2407000 -43.1724 49.8898 25.1642 49.8897 24.214 -49.7456 25.1642 -49.7455 -8.35855 GPRESSAVG: 2407000 -44.9174 49.9214 22.4738 50.3442 25.6245 -51.0853 27.0571 -49.9472 -7.72533 TIMING: 2407000 CPU: 7183.32, 0.00297597/step Wall: 7183.32, 0.00297597/step, 2.14353 hours remaining, 208.726562 MB of memory in use. ENERGY: 2407000 747.4759 2111.4358 1910.1659 103.8281 -205853.7943 17635.4156 0.0000 0.0000 34408.7015 -148936.7715 300.4997 -183345.4731 -148837.3388 300.1698 -58.7744 -25.1446 557537.3646 -9.1057 -9.0060 PRESSURE: 2407200 -233.968 -57.9009 -168.465 -57.9006 -148.362 -245.791 -168.465 -245.79 59.8764 GPRESSURE: 2407200 -225.073 -48.5725 -156.295 -39.28 -118.077 -257.168 -184.854 -221.062 133.279 PRESSAVG: 2407200 42.8142 9.87404 47.9579 9.87406 -43.5145 -49.0895 47.9579 -49.0895 12.8035 GPRESSAVG: 2407200 44.3862 9.86077 50.6455 9.75687 -44.6304 -49.2064 44.4092 -48.0602 12.8815 TIMING: 2407200 CPU: 7183.91, 0.00294776/step Wall: 7183.91, 0.00294776/step, 2.12304 hours remaining, 208.726562 MB of memory in use. ENERGY: 2407200 732.2804 2013.4066 1937.5566 106.6394 -205693.9436 17746.6831 0.0000 0.0000 34324.0257 -148833.3517 299.7603 -183157.3774 -148736.1698 300.2879 -107.4844 -69.9568 559761.6837 4.0344 4.2124 PRESSURE: 2407400 -6.81488 -165.162 -1.28515 -165.16 -101.999 -45.0416 -1.28562 -45.04 275.579 GPRESSURE: 2407400 28.2356 -161.16 24.7307 -249.899 -50.7682 -23.75 -51.14 -8.67232 283.899 PRESSAVG: 2407400 -22.426 -79.6301 -0.234707 -79.6301 -7.24374 -4.3634 -0.234717 -4.36336 46.8879 GPRESSAVG: 2407400 -22.6698 -79.5618 -0.105699 -79.6422 -7.12787 -3.2315 0.887378 -5.26139 46.8118 TIMING: 2407400 CPU: 7184.5, 0.00293042/step Wall: 7184.5, 0.00293042/step, 2.11039 hours remaining, 208.726562 MB of memory in use. ENERGY: 2407400 719.0689 2086.2874 1935.0701 115.3200 -205748.9540 17610.9970 0.0000 0.0000 34443.2995 -148838.9109 300.8019 -183282.2104 -148738.0553 300.2361 55.5886 87.1221 557548.3773 5.7394 5.6714 PRESSURE: 2407600 161.324 70.6035 89.2942 70.6041 -79.6558 91.3364 89.2943 91.3371 -68.0216 GPRESSURE: 2407600 134.575 137.364 177.806 45.4608 3.9803 131.153 0.455869 82.3883 -37.2386 PRESSAVG: 2407600 10.7151 30.3894 6.8787 30.3894 -37.201 1.49066 6.87866 1.49049 16.4134 GPRESSAVG: 2407600 10.2622 29.9042 3.61106 32.0681 -37.5527 -0.940966 8.35632 2.05689 17.4526 TIMING: 2407600 CPU: 7185.09, 0.0029428/step Wall: 7185.09, 0.0029428/step, 2.11914 hours remaining, 208.726562 MB of memory in use. ENERGY: 2407600 756.2928 2057.5250 1931.7994 121.1269 -205544.1875 17715.6208 0.0000 0.0000 34096.2039 -148865.6186 297.7706 -182961.8225 -148770.0963 300.2978 4.5489 33.7722 557749.8746 -3.3575 -3.2793 PRESSURE: 2407800 1.67134 39.2027 96.306 39.204 -56.9204 62.3069 96.306 62.307 -242.077 GPRESSURE: 2407800 -0.191468 34.2382 101.452 100.765 -18.6969 125.622 149.801 -42.9628 -167.795 PRESSAVG: 2407800 73.6704 -30.9738 2.85031 -30.9738 -29.3884 -0.38731 2.85026 -0.387302 -48.1362 GPRESSAVG: 2407800 72.9711 -30.4334 4.85236 -32.2268 -28.4072 0.0861506 2.55351 -2.65055 -48.73 TIMING: 2407800 CPU: 7185.68, 0.00294153/step Wall: 7185.68, 0.00294153/step, 2.11807 hours remaining, 208.726562 MB of memory in use. ENERGY: 2407800 740.8991 2108.2020 1925.0873 112.6849 -205558.6525 17571.9372 0.0000 0.0000 34331.0509 -148768.7911 299.8216 -183099.8420 -148672.1880 300.1935 -99.1087 -62.2278 557759.9471 -1.2847 -1.3887 PRESSURE: 2408000 -219.876 -121.757 -172.089 -121.759 23.9145 13.0765 -172.09 13.0761 14.2465 GPRESSURE: 2408000 -235.159 -20.4209 -145.276 -153.363 44.4957 -5.70244 -178.703 50.1919 98.4625 PRESSAVG: 2408000 71.8367 -17.6372 50.1565 -17.6372 -36.3159 37.726 50.1565 37.7257 -13.4115 GPRESSAVG: 2408000 73.1839 -17.7531 51.5822 -17.907 -37.0773 39.106 49.7284 39.2735 -14.0935 TIMING: 2408000 CPU: 7186.26, 0.00294136/step Wall: 7186.26, 0.00294136/step, 2.11778 hours remaining, 208.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2408000 712.5749 2117.7156 1954.5106 128.1961 -205775.4287 17733.8899 0.0000 0.0000 34371.3197 -148757.2219 300.1733 -183128.5416 -148657.8394 300.2465 -60.5718 -30.7337 559720.7953 7.3698 7.3377 PRESSURE: 2408200 -94.0087 -116.046 -160.757 -116.046 -175.504 80.0993 -160.757 80.0988 137.635 GPRESSURE: 2408200 -73.7693 -84.8918 -148.745 -96.3362 -134.702 67.2123 -117.784 75.5033 165.551 PRESSAVG: 2408200 -8.53113 25.6906 62.351 25.6907 -6.04052 13.0221 62.351 13.0221 33.5944 GPRESSAVG: 2408200 -8.71015 25.3031 62.1522 27.6711 -5.85881 11.0005 63.2887 11.5266 33.717 TIMING: 2408200 CPU: 7186.85, 0.00293632/step Wall: 7186.85, 0.00293632/step, 2.11399 hours remaining, 208.726562 MB of memory in use. ENERGY: 2408200 777.8348 2118.8739 1927.4072 109.3319 -206016.2801 17948.2011 0.0000 0.0000 34296.3190 -148838.3122 299.5183 -183134.6311 -148740.6565 300.8364 -43.9593 -14.3068 558746.8692 6.3409 6.3827 LDB: ============= START OF LOAD BALANCING ============== 7190.4 LDB: ============== END OF LOAD BALANCING =============== 7190.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7190.4 LDB: ============= START OF LOAD BALANCING ============== 7190.7 LDB: Largest compute 4773 load 0.030084 is 25.4% of average load 0.118226 LDB: Average compute 0.001736 is 1.5% of average load 0.118226 LDB: TIME 7190.7 LOAD: AVG 0.118226 MAX 0.199899 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.961 MB LDB: TIME 7190.7 LOAD: AVG 0.118226 MAX 0.199899 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206 MB LDB: TIME 7190.7 LOAD: AVG 0.118226 MAX 0.199899 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7190.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7190.7 PRESSURE: 2408400 -266.818 -43.9273 150.462 -43.9276 31.4126 43.5663 150.463 43.5666 -173.387 GPRESSURE: 2408400 -245.79 -44.0101 214.81 15.1826 69.7253 -6.68967 175.345 5.07387 -137.855 PRESSAVG: 2408400 8.17091 13.1604 -41.1596 13.1604 -60.1811 21.5563 -41.1597 21.5564 62.6385 GPRESSAVG: 2408400 8.76594 13.0572 -42.9591 10.1667 -61.562 23.1063 -41.3749 21.842 62.9594 TIMING: 2408400 CPU: 7187.45, 0.00301281/step Wall: 7187.45, 0.00301281/step, 2.16889 hours remaining, 206.714844 MB of memory in use. ENERGY: 2408400 751.5971 2114.8026 1930.5720 114.4154 -205753.7676 17611.8496 0.0000 0.0000 34406.9811 -148823.5498 300.4847 -183230.5309 -148728.6294 299.3985 -136.2640 -104.6399 558451.7842 3.5428 3.3878 PRESSURE: 2408600 -72.5894 82.3615 33.3583 82.36 213.243 -195.146 33.3589 -195.145 74.0517 GPRESSURE: 2408600 -42.0484 59.5871 -31.4406 4.97696 254.062 -190.12 76.123 -159.645 112.633 PRESSAVG: 2408600 49.7439 70.9195 -23.9405 70.9195 6.14753 -70.3529 -23.9405 -70.353 -49.1756 GPRESSAVG: 2408600 49.1244 72.6419 -23.372 69.8879 7.9658 -69.8272 -24.1254 -71.2862 -50.211 TIMING: 2408600 CPU: 7188.05, 0.00298347/step Wall: 7188.05, 0.00298347/step, 2.1476 hours remaining, 206.917969 MB of memory in use. ENERGY: 2408600 723.7537 2116.6982 1931.0115 101.8141 -205944.0864 17852.1240 0.0000 0.0000 34288.9375 -148929.7474 299.4538 -183218.6849 -148836.6786 299.5576 71.5686 108.2154 557384.6199 2.2386 2.2931 PRESSURE: 2408800 157.483 195.608 -179.642 195.609 -83.7174 64.627 -179.643 64.6259 -254.894 GPRESSURE: 2408800 166.542 172.135 -32.0256 167.689 -64.2106 24.3588 -225.493 80.2863 -185.581 PRESSAVG: 2408800 54.1209 71.891 -11.5696 71.891 -11.9775 -25.8772 -11.5696 -25.8772 -18.8263 GPRESSAVG: 2408800 54.4331 71.2248 -11.6302 71.8989 -12.2474 -28.3736 -10.4606 -22.2325 -18.6205 TIMING: 2408800 CPU: 7188.64, 0.00296616/step Wall: 7188.64, 0.00296616/step, 2.13498 hours remaining, 206.917969 MB of memory in use. ENERGY: 2408800 723.7881 2021.9762 1937.9451 108.7368 -205540.2333 17518.5045 0.0000 0.0000 34224.8252 -149004.4574 298.8939 -183229.2826 -148906.1597 300.4382 -60.3760 -27.7500 557619.6255 7.7723 7.8551 PRESSURE: 2409000 -78.6467 -3.24124 160.783 -3.24055 181.033 117.526 160.782 117.526 -170.609 GPRESSURE: 2409000 -45.2419 -22.6357 186.544 82.0842 243.977 164.273 129.761 164.888 -160.349 PRESSAVG: 2409000 30.4517 86.996 -82.8228 86.996 3.76343 63.7864 -82.8229 63.7865 5.38011 GPRESSAVG: 2409000 31.0795 85.5519 -81.3677 89.0301 2.78134 65.6667 -85.3837 63.6769 5.2644 TIMING: 2409000 CPU: 7189.23, 0.00294822/step Wall: 7189.23, 0.00294822/step, 2.1219 hours remaining, 206.917969 MB of memory in use. ENERGY: 2409000 748.1239 2138.2084 1939.4222 121.3845 -206260.8313 17863.9655 0.0000 0.0000 34337.1545 -149112.5723 299.8749 -183449.7267 -149025.4379 300.2497 -22.7409 12.7952 556086.3223 13.1984 13.0417 PRESSURE: 2409200 -200.899 -18.8065 -195.095 -18.8072 -148.057 25.8147 -195.093 25.8133 -73.6742 GPRESSURE: 2409200 -155.888 54.698 -177.957 -49.1768 -143.909 -6.32392 -170.865 -45.3724 -32.7678 PRESSAVG: 2409200 -53.5056 12.0051 -9.6413 12.0052 18.0696 0.66203 -9.64132 0.662048 21.8418 GPRESSAVG: 2409200 -56.0235 12.7365 -12.4199 11.0683 19.6629 1.86741 -5.72614 -0.272891 22.3972 TIMING: 2409200 CPU: 7189.82, 0.00294035/step Wall: 7189.82, 0.00294035/step, 2.11607 hours remaining, 206.917969 MB of memory in use. ENERGY: 2409200 776.4620 2087.9090 1964.2754 115.6600 -205651.7144 17323.9204 0.0000 0.0000 34435.8845 -148947.6031 300.7371 -183383.4876 -148849.1355 300.0841 -140.8767 -110.8549 556943.7308 -4.5314 -4.6545 PRESSURE: 2409400 355.051 -13.2673 48.2128 -13.2678 171.587 -98.2085 48.212 -98.2059 69.6912 GPRESSURE: 2409400 337.125 36.7569 21.1491 -26.958 253.396 -149.586 -29.1868 -76.4247 102.196 PRESSAVG: 2409400 -97.7042 22.666 -55.9516 22.666 31.8414 4.43468 -55.9517 4.43472 24.8831 GPRESSAVG: 2409400 -95.8486 23.333 -56.2319 23.135 30.8955 0.842786 -58.5689 5.83635 24.0064 TIMING: 2409400 CPU: 7190.41, 0.00296442/step Wall: 7190.41, 0.00296442/step, 2.13323 hours remaining, 206.917969 MB of memory in use. ENERGY: 2409400 739.5717 2073.7879 1940.6986 105.8932 -206499.3023 18188.2999 0.0000 0.0000 34304.9720 -149146.0789 299.5939 -183451.0509 -149046.4995 300.1393 198.7763 230.9058 557281.9314 -13.6599 -13.6489 PRESSURE: 2409600 156.29 -185.687 -89.7779 -185.687 -118.993 17.7875 -89.7782 17.7862 201.636 GPRESSURE: 2409600 159.293 -186.076 -12.2639 -139.815 -33.7402 35.4838 -36.6183 -37.6689 219.584 PRESSAVG: 2409600 1.97915 11.6591 -33.7074 11.6591 34.3306 -74.8799 -33.7073 -74.8799 -19.6926 GPRESSAVG: 2409600 0.629009 10.6568 -32.6081 9.64861 34.9516 -72.8905 -31.4835 -76.6079 -18.8728 TIMING: 2409600 CPU: 7191.01, 0.00297273/step Wall: 7191.01, 0.00297273/step, 2.13905 hours remaining, 206.917969 MB of memory in use. ENERGY: 2409600 723.2646 2106.1850 1938.1541 102.2774 -206193.4450 17903.4028 0.0000 0.0000 34387.0778 -149033.0831 300.3109 -183420.1610 -148937.0718 299.4855 79.6441 115.0453 558527.0074 5.5390 5.5693 PRESSURE: 2409800 -25.1454 -152.171 -49.5829 -152.171 -68.0398 46.6464 -49.5821 46.6453 49.5666 GPRESSURE: 2409800 -31.1823 -219.73 -41.9855 -98.5846 -28.016 141.411 27.5665 39.2505 127.726 PRESSAVG: 2409800 68.864 -15.8361 -41.8898 -15.8362 13.6371 -21.0574 -41.8897 -21.0574 -55.1425 GPRESSAVG: 2409800 69.9258 -17.4729 -41.9498 -12.7726 12.0579 -19.7258 -41.9646 -22.9299 -54.6164 TIMING: 2409800 CPU: 7191.6, 0.00297827/step Wall: 7191.6, 0.00297827/step, 2.14286 hours remaining, 206.917969 MB of memory in use. ENERGY: 2409800 755.2721 2032.2445 1949.5183 114.2738 -205983.5005 17754.4247 0.0000 0.0000 34339.4099 -149038.3571 299.8946 -183377.7670 -148941.9478 300.3224 -14.5395 22.8426 558001.4346 9.1195 9.1224 PRESSURE: 2410000 -11.2158 22.4767 -161.712 22.4762 -334.23 -136.657 -161.711 -136.657 12.7615 GPRESSURE: 2410000 17.6148 82.5541 -201.701 -77.181 -282.105 -92.2055 -137.826 -72.7736 53.1079 PRESSAVG: 2410000 15.3644 -45.168 -32.6 -45.168 -1.97565 -18.8897 -32.6 -18.8898 1.67029 GPRESSAVG: 2410000 14.1829 -44.4146 -30.3786 -46.3322 0.264529 -19.5599 -34.029 -17.3768 0.970161 TIMING: 2410000 CPU: 7192.2, 0.00295534/step Wall: 7192.2, 0.00295534/step, 2.12621 hours remaining, 206.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2410000 763.5862 2067.6776 1944.8858 127.1743 -205738.4097 17809.2636 0.0000 0.0000 34096.9866 -148928.8356 297.7775 -183025.8222 -148828.5500 299.3428 -110.8948 -70.4606 561053.8609 5.0197 5.1392 PRESSURE: 2410200 100.116 171.638 2.53614 171.638 -110.022 72.0133 2.53529 72.0139 -19.4129 GPRESSURE: 2410200 138.359 241.569 5.22045 133.155 -43.3118 70.605 -3.24658 74.9428 -18.982 PRESSAVG: 2410200 -38.9685 -16.0559 -53.1192 -16.0559 50.5838 -2.00144 -53.1192 -2.00145 31.5867 GPRESSAVG: 2410200 -38.6806 -15.9458 -54.6471 -14.4803 50.3037 -4.15965 -51.8699 -1.3347 32.0889 TIMING: 2410200 CPU: 7192.79, 0.00298414/step Wall: 7192.79, 0.00298414/step, 2.14675 hours remaining, 206.917969 MB of memory in use. ENERGY: 2410200 743.7030 2064.6525 1929.4554 120.1144 -205945.7069 17886.6218 0.0000 0.0000 34428.7447 -148772.4150 300.6748 -183201.1597 -148666.4789 300.8102 -9.7731 25.3551 559399.6487 14.4007 14.5707 PRESSURE: 2410400 -19.2088 22.3551 -62.5381 22.355 -69.3384 4.23683 -62.5381 4.23837 -175.111 GPRESSURE: 2410400 35.603 99.8763 -104.622 18.7976 -16.506 11.9323 -86.0028 86.3568 -181.832 PRESSAVG: 2410400 -94.0818 11.7739 -68.9613 11.7737 33.9053 -14.9071 -68.9611 -14.907 29.9224 GPRESSAVG: 2410400 -92.4717 11.7688 -69.0585 11.9185 33.4636 -13.0019 -68.3406 -15.5449 28.9778 TIMING: 2410400 CPU: 7193.39, 0.00296889/step Wall: 7193.39, 0.00296889/step, 2.13562 hours remaining, 206.917969 MB of memory in use. ENERGY: 2410400 736.5700 2075.3190 1945.8343 123.6182 -205688.7243 17555.0553 0.0000 0.0000 34256.2494 -148996.0781 299.1683 -183252.3274 -148899.8964 299.7492 -87.8859 -54.2449 559393.8547 -10.0847 -10.0101 PRESSURE: 2410600 197.593 -144.089 11.6561 -144.089 54.2096 58.4551 11.656 58.4535 99.7413 GPRESSURE: 2410600 170.199 -103.389 48.5101 -116.171 139.095 117.951 -113.416 55.1021 139.992 PRESSAVG: 2410600 8.777 19.8706 -9.55948 19.8706 22.7145 -6.64762 -9.55941 -6.64754 -17.6879 GPRESSAVG: 2410600 6.5808 20.771 -9.31723 15.7502 23.5307 -6.16532 -12.6685 -5.59753 -16.4969 TIMING: 2410600 CPU: 7193.98, 0.00297027/step Wall: 7193.98, 0.00297027/step, 2.13645 hours remaining, 206.917969 MB of memory in use. ENERGY: 2410600 732.5063 2139.6626 1951.9966 113.0168 -206159.7161 18026.7773 0.0000 0.0000 34187.2911 -149008.4655 298.5661 -183195.7566 -148912.1883 299.6685 117.1812 149.7623 557296.9061 4.6012 4.5382 PRESSURE: 2410800 -134.106 -66.2903 -91.9692 -66.2904 -166.401 20.2059 -91.9691 20.2052 130.955 GPRESSURE: 2410800 -127.636 -61.2172 -167.489 -43.4675 -103.13 19.0741 -59.4739 11.2398 167.352 PRESSAVG: 2410800 40.7488 -28.7759 79.1201 -28.7758 -34.5376 28.3001 79.1201 28.3001 75.7675 GPRESSAVG: 2410800 41.1859 -30.4325 78.6726 -23.8058 -35.7762 28.9487 81.1149 26.6438 75.9449 TIMING: 2410800 CPU: 7194.57, 0.00294984/step Wall: 7194.57, 0.00294984/step, 2.12159 hours remaining, 206.917969 MB of memory in use. ENERGY: 2410800 706.6281 2065.6365 1957.5274 109.3232 -206033.9708 17585.8358 0.0000 0.0000 34649.8400 -148959.1799 302.6057 -183609.0199 -148849.4645 299.9963 -56.5174 -21.1380 557450.0718 27.3263 27.1182 PRESSURE: 2411000 224.2 -133.742 116.293 -133.743 149.174 -20.8383 116.293 -20.8394 378.138 GPRESSURE: 2411000 255.601 -74.1977 119.045 -118.641 162.22 -63.6794 149.119 -14.3398 436.147 PRESSAVG: 2411000 -1.4177 -33.3747 22.5571 -33.3747 4.0012 8.79165 22.5571 8.79165 -4.22152 GPRESSAVG: 2411000 -1.08077 -32.0315 23.3668 -35.3291 4.3135 7.77461 22.2222 9.20354 -4.79321 TIMING: 2411000 CPU: 7195.16, 0.00297021/step Wall: 7195.16, 0.00297021/step, 2.13607 hours remaining, 206.917969 MB of memory in use. ENERGY: 2411000 747.5580 2133.5006 1903.5931 106.4698 -206099.1151 17971.4759 0.0000 0.0000 34373.8855 -148862.6322 300.1957 -183236.5178 -148757.4111 300.5240 250.5038 284.6560 556502.8174 -0.5460 -0.5202 PRESSURE: 2411200 5.35836 21.9876 93.882 21.9879 -90.138 46.4817 93.8816 46.481 374.895 GPRESSURE: 2411200 19.337 69.7266 12.4335 24.2688 -47.6598 31.277 15.0081 157.83 415.094 PRESSAVG: 2411200 -46.69 -72.275 70.1151 -72.275 -48.1627 6.93567 70.1151 6.93558 113.947 GPRESSAVG: 2411200 -46.8955 -73.2672 70.0585 -70.8938 -48.2324 7.68722 69.9451 6.92256 113.925 TIMING: 2411200 CPU: 7195.75, 0.00294699/step Wall: 7195.75, 0.00294699/step, 2.11921 hours remaining, 206.917969 MB of memory in use. ENERGY: 2411200 753.9810 2073.2857 1943.8024 117.8287 -206269.8348 18083.1184 0.0000 0.0000 34293.8051 -149004.0135 299.4963 -183297.8187 -148913.7888 299.8823 96.7051 128.9238 556898.8454 6.3648 6.2658 PRESSURE: 2411400 -94.4906 40.7951 11.7176 40.7967 -109.28 111.318 11.7205 111.318 -208.385 GPRESSURE: 2411400 -133.384 32.3976 -100.331 -6.6654 -41.1788 94.3944 38.1572 126.942 -128.882 PRESSAVG: 2411400 6.51157 -7.81176 -16.4485 -7.81182 -12.9885 62.9705 -16.4485 62.9706 49.0118 GPRESSAVG: 2411400 7.01502 -8.89036 -15.8942 -8.53135 -14.0683 60.4509 -15.2714 63.3285 49.6413 TIMING: 2411400 CPU: 7196.34, 0.00295295/step Wall: 7196.34, 0.00295295/step, 2.12334 hours remaining, 206.917969 MB of memory in use. ENERGY: 2411400 712.5160 2041.3727 1914.3488 113.5226 -205799.2532 17584.6068 0.0000 0.0000 34360.4220 -149072.4643 300.0781 -183432.8863 -148977.5527 299.5550 -137.3853 -101.1481 558092.3486 14.1783 14.1960 PRESSURE: 2411600 -204.87 88.7478 117.237 88.7483 -47.3309 -32.6274 117.238 -32.6272 -251.968 GPRESSURE: 2411600 -161.287 41.9133 169.568 102.487 -62.8635 -68.5767 104.085 -44.1291 -187.702 PRESSAVG: 2411600 -29.8186 23.5548 -44.1981 23.5549 68.0577 44.8625 -44.1982 44.8625 13.4524 GPRESSAVG: 2411600 -30.5835 26.3527 -44.3313 22.0393 67.6352 46.9838 -44.4028 44.6526 13.9271 TIMING: 2411600 CPU: 7196.93, 0.00293821/step Wall: 7196.93, 0.00293821/step, 2.11257 hours remaining, 206.917969 MB of memory in use. ENERGY: 2411600 737.3245 2067.2011 1916.1183 118.0336 -205689.0482 17543.8693 0.0000 0.0000 34234.9682 -149071.5332 298.9825 -183306.5014 -148968.4518 299.7807 -168.0565 -137.2840 558351.2957 17.2305 16.9929 PRESSURE: 2411800 -181.846 20.8138 -100.684 20.8145 -178.83 49.6331 -100.683 49.6325 -284.438 GPRESSURE: 2411800 -207.555 24.17 -50.9599 17.867 -84.2718 136.604 -127.656 20.5416 -268.986 PRESSAVG: 2411800 -47.6725 -11.2969 4.75655 -11.2969 68.5511 54.92 4.75656 54.92 -5.85447 GPRESSAVG: 2411800 -46.7924 -10.8011 6.72441 -12.6218 70.9058 54.345 4.36872 54.1658 -8.88172 TIMING: 2411800 CPU: 7197.53, 0.00297091/step Wall: 7197.53, 0.00297091/step, 2.13592 hours remaining, 206.917969 MB of memory in use. ENERGY: 2411800 728.2283 2073.3069 1935.8199 103.6470 -205429.9303 17274.2799 0.0000 0.0000 34357.7868 -148956.8615 300.0551 -183314.6484 -148864.6047 299.6698 -215.0381 -186.9375 557199.4056 5.0080 5.0772 PRESSURE: 2412000 23.8494 72.3092 125.417 72.3063 -122.565 -36.8748 125.416 -36.8754 -324.896 GPRESSURE: 2412000 24.3102 60.4029 182.599 142.947 -111.877 45.317 0.00275548 -12.6833 -236.269 PRESSAVG: 2412000 25.044 16.5243 2.99034 16.5243 -10.134 4.66045 2.99037 4.6605 -35.1326 GPRESSAVG: 2412000 24.565 15.3099 0.937232 18.8293 -11.2761 5.82136 2.01187 4.79019 -33.5933 TIMING: 2412000 CPU: 7198.12, 0.00298705/step Wall: 7198.12, 0.00298705/step, 2.14736 hours remaining, 206.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2412000 764.5574 2052.2476 1937.8706 113.3396 -205991.5595 17624.6846 0.0000 0.0000 34469.9941 -149028.8655 301.0350 -183498.8597 -148931.0156 300.5398 -141.2039 -107.9451 556695.9611 -6.7409 -6.7681 PRESSURE: 2412200 -228.579 203.946 -206.105 203.945 108.939 79.6468 -206.104 79.6463 31.5771 GPRESSURE: 2412200 -149.266 190.02 -169.998 143.107 90.6476 56.9179 -166.818 18.2386 76.457 PRESSAVG: 2412200 16.1537 -9.99112 -8.13179 -9.99114 41.8453 20.5017 -8.13179 20.5017 -70.1003 GPRESSAVG: 2412200 16.0233 -11.0967 -6.63095 -10.4061 41.9749 19.8184 -7.76375 21.3793 -70.4616 TIMING: 2412200 CPU: 7198.72, 0.00298773/step Wall: 7198.72, 0.00298773/step, 2.14768 hours remaining, 206.917969 MB of memory in use. ENERGY: 2412200 739.9269 2062.0472 1920.2260 122.1571 -205770.8080 17648.5809 0.0000 0.0000 34452.5085 -148825.3615 300.8823 -183277.8700 -148723.8673 300.4488 -29.3544 5.9462 556862.5866 -4.0338 -4.1545 LDB: ============= START OF LOAD BALANCING ============== 7202.27 LDB: ============== END OF LOAD BALANCING =============== 7202.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7202.27 LDB: ============= START OF LOAD BALANCING ============== 7202.56 LDB: Largest compute 4773 load 0.028595 is 24.2% of average load 0.118241 LDB: Average compute 0.001732 is 1.5% of average load 0.118241 LDB: TIME 7202.57 LOAD: AVG 0.118241 MAX 0.200543 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 7202.57 LOAD: AVG 0.118241 MAX 0.200543 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: TIME 7202.57 LOAD: AVG 0.118241 MAX 0.200543 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7202.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7202.57 PRESSURE: 2412400 215.392 82.4405 -84.7909 82.4394 91.7422 -100.148 -84.7902 -100.146 -189.74 GPRESSURE: 2412400 245.615 35.294 -84.2143 140.844 71.2558 -91.5796 -104.688 -81.8539 -99.9451 PRESSAVG: 2412400 -51.1663 16.529 -78.0024 16.529 47.3646 -65.633 -78.0023 -65.6328 2.68296 GPRESSAVG: 2412400 -51.6644 16.4819 -77.0345 16.4527 47.6567 -67.514 -77.3319 -64.9867 2.58483 TIMING: 2412400 CPU: 7199.32, 0.00300554/step Wall: 7199.32, 0.00300554/step, 2.16032 hours remaining, 207.226562 MB of memory in use. ENERGY: 2412400 742.5448 2078.7750 1900.6793 111.7776 -205704.3305 17704.8481 0.0000 0.0000 34204.9511 -148960.7545 298.7203 -183165.7056 -148865.4057 300.0733 39.1312 72.3084 556271.9546 -0.3729 -0.4743 PRESSURE: 2412600 -60.8743 12.6217 26.3423 12.6224 56.3841 -123.971 26.3427 -123.971 130.651 GPRESSURE: 2412600 -53.8886 30.8932 22.987 8.67257 58.5828 2.18458 61.9847 -166.119 224.083 PRESSAVG: 2412600 -21.0556 44.471 -15.5967 44.4709 6.418 25.2952 -15.5967 25.2952 15.8759 GPRESSAVG: 2412600 -21.6434 45.3397 -16.9635 43.7908 6.94078 25.4875 -15.5132 25.7326 16.4118 TIMING: 2412600 CPU: 7199.91, 0.0029634/step Wall: 7199.91, 0.0029634/step, 2.12986 hours remaining, 207.226562 MB of memory in use. ENERGY: 2412600 733.5133 2075.4288 1948.6388 119.8441 -205874.1969 17756.9042 0.0000 0.0000 34249.5594 -148990.3083 299.1099 -183239.8677 -148889.5844 299.7742 42.0537 76.2590 557009.2793 0.4128 0.5697 PRESSURE: 2412800 35.4095 -100.454 -17.8596 -100.454 -143.511 -3.33012 -17.8594 -3.3309 -274.376 GPRESSURE: 2412800 85.2852 -135.595 -20.0378 -69.2034 -91.9474 -56.8809 -21.6927 69.0759 -282.923 PRESSAVG: 2412800 31.1267 31.5356 -22.8515 31.5355 -11.966 17.0526 -22.8515 17.0527 46.1013 GPRESSAVG: 2412800 32.2618 30.4234 -23.081 32.3649 -11.7133 16.9229 -23.3373 16.271 44.4492 TIMING: 2412800 CPU: 7200.51, 0.00296664/step Wall: 7200.51, 0.00296664/step, 2.13203 hours remaining, 207.226562 MB of memory in use. ENERGY: 2412800 698.7905 2065.9791 1938.1689 106.6399 -205687.3102 17363.4181 0.0000 0.0000 34465.5365 -149048.7772 300.9961 -183514.3137 -148950.0184 299.7417 -127.4926 -96.5284 556511.8277 21.7540 21.6659 PRESSURE: 2413000 93.6279 1.48115 -50.3139 1.48028 109.832 -1.47909 -50.3139 -1.47967 135.277 GPRESSURE: 2413000 137.996 -10.7542 -85.335 -78.2371 107.653 -82.8423 -79.1894 25.3993 184.053 PRESSAVG: 2413000 47.5424 -57.8644 -0.784039 -57.8644 -62.8797 -55.2936 -0.784038 -55.2937 -9.5137 GPRESSAVG: 2413000 46.8804 -57.7983 -2.3051 -57.2659 -63.4423 -54.6934 1.39881 -55.6409 -8.61271 TIMING: 2413000 CPU: 7201.1, 0.00295186/step Wall: 7201.1, 0.00295186/step, 2.12124 hours remaining, 207.226562 MB of memory in use. ENERGY: 2413000 716.2435 2066.8218 1924.5859 114.1218 -206142.4988 17855.6651 0.0000 0.0000 34252.7557 -149212.3051 299.1378 -183465.0608 -149119.2101 299.1731 112.9121 143.2340 556692.7990 -8.2837 -8.3915 PRESSURE: 2413200 -20.8405 -44.4008 78.2384 -44.4014 -74.9653 15.8387 78.2385 15.8404 -48.3939 GPRESSURE: 2413200 -36.1474 -47.0935 -14.6343 -16.6345 -10.3774 86.9785 82.5847 -16.7199 3.75804 PRESSAVG: 2413200 32.1233 -14.2367 12.6186 -14.2367 5.19215 -8.87497 12.6186 -8.87491 -2.8097 GPRESSAVG: 2413200 31.7373 -12.276 12.7255 -16.315 5.05527 -8.35539 9.81549 -8.72679 -2.28308 TIMING: 2413200 CPU: 7201.69, 0.00298001/step Wall: 7201.69, 0.00298001/step, 2.1413 hours remaining, 207.226562 MB of memory in use. ENERGY: 2413200 713.6952 2069.1606 1919.6926 106.1275 -206116.1709 17647.2488 0.0000 0.0000 34490.0685 -149170.1777 301.2103 -183660.2462 -149076.7483 299.1791 -48.0666 -14.2556 556887.0925 11.5019 11.5032 PRESSURE: 2413400 -35.4509 -68.4062 -102.039 -68.4055 -178.136 -60.5194 -102.039 -60.5202 -191.783 GPRESSURE: 2413400 -15.2325 -50.3433 -82.4205 -79.1182 -166.629 -61.3059 -141.662 -2.0615 -147.521 PRESSAVG: 2413400 0.621977 -9.05432 60.2275 -9.05434 6.97332 -29.3669 60.2275 -29.3669 -21.9475 GPRESSAVG: 2413400 0.97898 -11.8772 60.5287 -6.98849 8.47679 -29.1274 62.6972 -29.2693 -23.6259 TIMING: 2413400 CPU: 7202.29, 0.00296019/step Wall: 7202.29, 0.00296019/step, 2.1269 hours remaining, 207.226562 MB of memory in use. ENERGY: 2413400 732.7697 2075.6778 1929.8800 112.7218 -205856.0209 17630.3662 0.0000 0.0000 34196.0836 -149178.5218 298.6429 -183374.6054 -149066.6588 298.9878 -135.1234 -109.7941 558989.6253 -4.7841 -4.7234 PRESSURE: 2413600 -50.4177 -21.5426 -1.07856 -21.5418 -139.642 39.7791 -1.07979 39.7794 37.7105 GPRESSURE: 2413600 -52.9664 -23.451 -7.34744 -6.04616 -81.5383 42.2827 6.26123 -20.1901 65.7277 PRESSAVG: 2413600 24.5282 -36.0929 -24.8875 -36.0929 15.4517 -15.4247 -24.8876 -15.4247 -1.52373 GPRESSAVG: 2413600 24.8091 -36.2496 -23.6451 -38.6076 15.7452 -15.9148 -26.6114 -15.3565 -2.06877 TIMING: 2413600 CPU: 7202.88, 0.00296186/step Wall: 7202.88, 0.00296186/step, 2.12793 hours remaining, 207.226562 MB of memory in use. ENERGY: 2413600 706.5652 2120.9446 1930.8502 110.0050 -206087.5254 17633.4169 0.0000 0.0000 34200.9145 -149384.8291 298.6851 -183585.7436 -149285.0772 299.3183 -50.7830 -22.9257 557021.1001 12.8187 12.8285 PRESSURE: 2413800 191.351 -28.9346 -7.19406 -28.9345 -301.339 -31.6453 -7.19553 -31.6441 65.5944 GPRESSURE: 2413800 213.149 28.0552 30.2879 8.54031 -232.701 -105.581 -8.03704 45.5437 69.4985 PRESSAVG: 2413800 40.6203 7.51153 -67.3145 7.51149 -18.2246 61.2828 -67.3146 61.2829 -6.89724 GPRESSAVG: 2413800 40.7695 7.81986 -69.5002 8.11362 -19.808 61.7013 -66.5744 62.3712 -5.11592 TIMING: 2413800 CPU: 7203.47, 0.00296351/step Wall: 7203.47, 0.00296351/step, 2.12895 hours remaining, 207.226562 MB of memory in use. ENERGY: 2413800 752.7755 2087.6442 1930.6426 119.5017 -206292.2598 17777.3077 0.0000 0.0000 34124.2328 -149500.1554 298.0154 -183624.3882 -149407.1097 298.0637 -14.7977 16.6487 556101.4012 5.1661 5.2819 PRESSURE: 2414000 73.6288 -55.6254 -24.307 -55.6247 133.2 34.9443 -24.3068 34.945 -27.0759 GPRESSURE: 2414000 113.312 -43.3566 -14.6502 26.154 105.334 -25.8739 -141.048 13.2603 53.4725 PRESSAVG: 2414000 84.7217 37.4783 11.8471 37.4782 -12.8373 25.2877 11.8471 25.2879 -27.5536 GPRESSAVG: 2414000 83.6906 37.4119 13.5529 37.7227 -12.7544 23.5325 12.7073 24.0108 -26.9956 TIMING: 2414000 CPU: 7204.06, 0.00293882/step Wall: 7204.06, 0.00293882/step, 2.11105 hours remaining, 207.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2414000 710.5791 2096.7524 1929.0764 94.7137 -206411.8076 17835.1349 0.0000 0.0000 34388.1954 -149357.3557 300.3207 -183745.5512 -149263.5773 298.7535 59.9177 90.7062 555975.1024 14.7769 14.6469 PRESSURE: 2414200 5.14717 22.4353 14.4463 22.436 153.454 1.34394 14.4469 1.34307 302.901 GPRESSURE: 2414200 8.8303 87.8117 62.9479 33.4282 201.972 -32.4083 -4.75047 -12.4344 351.73 PRESSAVG: 2414200 -26.3587 -0.562126 47.2375 -0.562142 9.50146 -24.2728 47.2375 -24.2728 20.6541 GPRESSAVG: 2414200 -26.892 0.314712 47.1431 0.815849 10.1768 -24.056 45.1364 -23.7543 20.5167 TIMING: 2414200 CPU: 7204.65, 0.00293101/step Wall: 7204.65, 0.00293101/step, 2.10528 hours remaining, 207.226562 MB of memory in use. ENERGY: 2414200 745.9726 2165.4061 1934.1468 117.9360 -206541.9818 17919.0742 0.0000 0.0000 34225.8873 -149433.5588 298.9032 -183659.4461 -149339.3717 298.8921 153.8341 187.5109 553390.1683 1.2656 1.2671 PRESSURE: 2414400 275.013 -189.928 80.5371 -189.928 261.671 -27.2668 80.5364 -27.2676 230.782 GPRESSURE: 2414400 297.904 -173.932 50.0777 -237.862 333.754 -81.6059 173.266 -35.321 224.412 PRESSAVG: 2414400 -30.918 -18.1236 -67.6243 -18.1235 50.7784 -39.8537 -67.6243 -39.8537 17.7217 GPRESSAVG: 2414400 -28.746 -17.6046 -68.8777 -20.7196 49.4468 -36.7191 -65.5899 -40.8987 16.9572 TIMING: 2414400 CPU: 7205.24, 0.00295417/step Wall: 7205.24, 0.00295417/step, 2.12175 hours remaining, 207.226562 MB of memory in use. ENERGY: 2414400 733.1544 2161.6416 1943.2078 113.4012 -206894.3485 18333.0397 0.0000 0.0000 34338.3332 -149271.5705 299.8852 -183609.9037 -149175.7535 298.7459 255.8220 285.3567 555922.9846 12.5274 12.5526 PRESSURE: 2414600 -79.6452 67.8233 245.802 67.8223 -105.338 25.9944 245.802 25.9955 53.2837 GPRESSURE: 2414600 -57.985 102.46 370.584 19.4154 -47.2457 -5.59163 177.333 106.8 70.0332 PRESSAVG: 2414600 10.0078 7.29001 -21.2429 7.29004 11.2075 4.30414 -21.2428 4.30416 -27.9185 GPRESSAVG: 2414600 10.4622 8.92157 -19.952 7.55903 11.0186 1.28115 -22.6597 6.11167 -27.3691 TIMING: 2414600 CPU: 7205.83, 0.00298049/step Wall: 7205.83, 0.00298049/step, 2.14049 hours remaining, 207.226562 MB of memory in use. ENERGY: 2414600 730.4425 2123.7972 1927.8435 105.9245 -206129.8170 17910.1838 0.0000 0.0000 34174.9165 -149156.7091 298.4580 -183331.6256 -149056.3971 299.5532 -43.9000 -11.7325 557577.8257 -2.2344 -1.9628 PRESSURE: 2414800 -79.4514 -14.8263 -24.9222 -14.8266 177.447 115.389 -24.9224 115.388 -24.3437 GPRESSURE: 2414800 -58.0432 18.2209 -80.5381 -15.6834 244.013 101.056 -53.2225 57.2701 -12.5729 PRESSAVG: 2414800 -29.3565 -41.311 -34.2122 -41.3111 55.214 0.236557 -34.2123 0.236529 -10.4313 GPRESSAVG: 2414800 -30.0589 -43.3629 -36.9398 -39.1532 55.3321 0.79532 -32.436 -2.98711 -9.83674 TIMING: 2414800 CPU: 7206.43, 0.00298412/step Wall: 7206.43, 0.00298412/step, 2.14293 hours remaining, 207.226562 MB of memory in use. ENERGY: 2414800 731.4772 2098.0406 1946.6569 109.4739 -206475.6021 17982.6646 0.0000 0.0000 34395.6093 -149211.6794 300.3854 -183607.2888 -149108.1113 299.3832 24.5506 57.7988 556978.5172 5.1421 5.1455 PRESSURE: 2415000 -298.361 166.51 153.613 166.511 -390.926 -31.6091 153.615 -31.6089 -293.531 GPRESSURE: 2415000 -241.299 112.119 67.8613 94.0902 -358.093 -71.9261 139.039 18.2859 -283.224 PRESSAVG: 2415000 -55.6689 -33.9465 38.5108 -33.9465 12.5556 21.0167 38.5108 21.0167 -14.0553 GPRESSAVG: 2415000 -54.7285 -36.4216 37.9578 -33.5369 12.7514 19.5784 38.1642 23.6544 -14.798 TIMING: 2415000 CPU: 7207.03, 0.00300289/step Wall: 7207.03, 0.00300289/step, 2.15624 hours remaining, 207.226562 MB of memory in use. ENERGY: 2415000 735.1675 2121.4704 1927.3666 113.6681 -205213.1214 17155.2391 0.0000 0.0000 34199.4451 -148960.7646 298.6723 -183160.2098 -148862.2705 299.2850 -327.6061 -294.2054 558170.7170 -19.0562 -18.9250 PRESSURE: 2415200 -294.753 -79.9287 51.8744 -79.9278 -168.769 100.832 51.8747 100.833 -20.8516 GPRESSURE: 2415200 -239.178 -136.156 67.5104 -32.3392 -178.321 191.124 116.74 71.9716 40.8577 PRESSAVG: 2415200 18.1886 -37.449 31.784 -37.449 -44.9051 63.0735 31.784 63.0735 46.4762 GPRESSAVG: 2415200 17.0462 -35.8173 33.8339 -40.1285 -45.2901 64.2448 32.6996 60.4472 47.6573 TIMING: 2415200 CPU: 7207.62, 0.00294315/step Wall: 7207.62, 0.00294315/step, 2.11318 hours remaining, 207.226562 MB of memory in use. ENERGY: 2415200 759.5716 2068.9527 1939.0869 108.6129 -205890.6504 17558.7594 0.0000 0.0000 34447.1150 -149008.5519 300.8352 -183455.6669 -148913.6181 299.7823 -161.4579 -125.5471 556934.6453 6.5866 6.4712 PRESSURE: 2415400 69.3453 35.1494 -110.167 35.1507 121.873 -161.683 -110.167 -161.683 249.116 GPRESSURE: 2415400 113.577 119.826 -169.751 17.0285 102.195 -142.682 -113.984 -181.053 323.064 PRESSAVG: 2415400 -32.6895 36.5904 -26.934 36.5905 13.5364 36.3431 -26.934 36.343 13.6521 GPRESSAVG: 2415400 -32.6617 36.6078 -29.2451 38.3317 14.4662 37.0743 -27.507 37.4751 12.6994 TIMING: 2415400 CPU: 7208.21, 0.00294347/step Wall: 7208.21, 0.00294347/step, 2.11325 hours remaining, 207.226562 MB of memory in use. ENERGY: 2415400 741.6278 2138.7826 1918.5782 104.4423 -206226.2611 17930.8418 0.0000 0.0000 34398.5078 -148993.4806 300.4107 -183391.9884 -148897.8135 300.0306 146.7782 179.6119 556777.9754 -1.8337 -1.8321 PRESSURE: 2415600 11.4079 -18.8537 -151.265 -18.8533 175.152 102.241 -151.266 102.242 -5.05543 GPRESSURE: 2415600 75.6487 15.9046 -154.216 -121.567 228.176 132.397 -162.432 40.5039 -25.3357 PRESSAVG: 2415600 -21.489 -8.51753 -55.5631 -8.51756 49.2622 -14.8458 -55.5631 -14.8459 -17.4441 GPRESSAVG: 2415600 -20.8351 -8.82456 -53.6612 -11.365 49.344 -16.1817 -56.4148 -14.4048 -18.4279 TIMING: 2415600 CPU: 7208.8, 0.00296097/step Wall: 7208.8, 0.00296097/step, 2.12565 hours remaining, 207.226562 MB of memory in use. ENERGY: 2415600 757.1596 2094.0155 1983.0136 109.3221 -206265.3982 17879.3875 0.0000 0.0000 34343.9172 -149098.5828 299.9340 -183442.5000 -149004.5966 300.4324 60.5017 92.8297 557362.8230 3.4430 3.3603 PRESSURE: 2415800 204.584 41.4049 -140.611 41.4047 -170.324 -191.812 -140.609 -191.813 -1.97354 GPRESSURE: 2415800 208.867 70.8804 -203.173 -121.486 -130.299 -139.67 -115.905 -98.5684 51.0151 PRESSAVG: 2415800 -11.5008 51.9165 -64.5584 51.9165 0.376058 -15.2155 -64.5584 -15.2154 13.6215 GPRESSAVG: 2415800 -11.974 50.6919 -65.8844 53.0487 -0.668945 -14.707 -63.0405 -13.7467 14.8569 TIMING: 2415800 CPU: 7209.39, 0.00296869/step Wall: 7209.39, 0.00296869/step, 2.13102 hours remaining, 207.226562 MB of memory in use. ENERGY: 2415800 764.2407 2061.3603 1958.7606 114.8674 -205832.1405 17639.6973 0.0000 0.0000 34304.7469 -148988.4672 299.5919 -183293.2142 -148895.4835 300.4640 10.7621 43.1942 557072.2186 0.8322 0.7380 PRESSURE: 2416000 229.478 -190.276 10.7814 -190.276 219.912 -165.531 10.7815 -165.531 74.2654 GPRESSURE: 2416000 306.099 -231.111 10.6581 -209.433 159.99 -145.781 -66.9129 -167.197 143.912 PRESSAVG: 2416000 37.8768 16.5112 -44.1735 16.5114 -57.06 -53.842 -44.1736 -53.8421 -12.5124 GPRESSAVG: 2416000 37.8034 17.3305 -42.1397 16.6098 -56.3299 -52.8203 -46.3224 -56.9792 -12.7447 TIMING: 2416000 CPU: 7209.99, 0.00297182/step Wall: 7209.99, 0.00297181/step, 2.1331 hours remaining, 207.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2416000 737.7367 2103.3573 1948.6191 115.8512 -206082.8860 17792.0916 0.0000 0.0000 34521.4670 -148863.7632 301.4846 -183385.2302 -148763.3407 300.0799 174.5516 203.3336 557905.4972 -10.5652 -10.4238 PRESSURE: 2416200 -108.945 -93.7874 52.6073 -93.7865 201.917 -132.937 52.6072 -132.936 111.142 GPRESSURE: 2416200 -77.5889 -117.559 -36.2521 -34.439 250.807 -94.53 100.007 -70.5248 124.834 PRESSAVG: 2416200 38.568 -43.3569 -21.7545 -43.3569 -4.19825 -38.579 -21.7545 -38.5792 41.16 GPRESSAVG: 2416200 38.676 -43.0195 -22.8125 -41.458 -3.91889 -39.2188 -22.5644 -37.65 40.5784 TIMING: 2416200 CPU: 7210.58, 0.00296557/step Wall: 7210.58, 0.00296557/step, 2.12845 hours remaining, 207.347656 MB of memory in use. ENERGY: 2416200 743.0884 2135.4817 1946.2739 116.7763 -205671.7491 17751.4323 0.0000 0.0000 34128.4298 -148850.2668 298.0521 -182978.6965 -148758.3924 300.4022 68.0380 99.3507 556179.3151 25.1766 25.1119 LDB: ============= START OF LOAD BALANCING ============== 7214.13 LDB: ============== END OF LOAD BALANCING =============== 7214.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7214.13 LDB: ============= START OF LOAD BALANCING ============== 7214.42 LDB: Largest compute 4773 load 0.029247 is 24.7% of average load 0.118262 LDB: Average compute 0.001735 is 1.5% of average load 0.118262 LDB: TIME 7214.43 LOAD: AVG 0.118262 MAX 0.200629 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 7214.43 LOAD: AVG 0.118262 MAX 0.200629 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: TIME 7214.43 LOAD: AVG 0.118262 MAX 0.200629 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7214.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7214.43 PRESSURE: 2416400 20.3609 -34.2292 -97.8101 -34.2304 9.9862 165.956 -97.8106 165.955 80.9307 GPRESSURE: 2416400 38.7733 -18.8936 -112.518 -36.9834 57.1101 114.719 -115.691 198.72 116.507 PRESSAVG: 2416400 -14.367 -10.9092 31.7459 -10.9092 -65.8571 7.51889 31.7459 7.51879 59.7838 GPRESSAVG: 2416400 -15.0796 -11.3658 31.6096 -11.7743 -65.2944 5.9769 31.2731 9.49999 60.8022 TIMING: 2416400 CPU: 7211.18, 0.0030139/step Wall: 7211.18, 0.0030139/step, 2.16298 hours remaining, 206.714844 MB of memory in use. ENERGY: 2416400 765.5989 2065.0376 1950.1718 106.2021 -205956.4087 17905.0058 0.0000 0.0000 34097.2222 -149067.1703 297.7795 -183164.3925 -148971.4208 299.6640 37.0926 70.7968 556735.2089 -6.8134 -6.5239 PRESSURE: 2416600 -9.16773 -14.9296 187.146 -14.9294 44.5101 -34.686 187.147 -34.6846 131.643 GPRESSURE: 2416600 31.2881 30.7139 160.019 -83.2537 94.0887 -35.4898 222.899 -107.971 134.293 PRESSAVG: 2416600 33.5395 60.4633 -45.7861 60.4633 -34.3401 21.0195 -45.7861 21.0193 72.9837 GPRESSAVG: 2416600 34.0627 59.3061 -44.839 60.7344 -34.2991 22.3099 -43.2659 18.9647 72.3267 TIMING: 2416600 CPU: 7211.77, 0.00293543/step Wall: 7211.77, 0.00293543/step, 2.1065 hours remaining, 206.714844 MB of memory in use. ENERGY: 2416600 713.7176 2086.9789 1939.5318 108.0509 -206068.9637 17777.9832 0.0000 0.0000 34321.2433 -149121.4580 299.7360 -183442.7013 -149027.5034 299.7481 55.6618 86.5565 556721.2537 24.0610 24.0301 PRESSURE: 2416800 -153.331 -55.5346 -36.9442 -55.5338 -55.2816 -204.528 -36.9438 -204.53 50.1138 GPRESSURE: 2416800 -115.567 -10.4814 -139.94 -26.6162 -56.8011 -253.114 24.6652 -188.519 111.444 PRESSAVG: 2416800 -59.6267 10.78 51.1909 10.7799 28.5924 -16.1957 51.1909 -16.1957 15.3251 GPRESSAVG: 2416800 -60.1068 11.1005 49.3209 11.1368 27.8391 -18.2791 51.2361 -13.8291 16.7529 TIMING: 2416800 CPU: 7212.36, 0.00294329/step Wall: 7212.36, 0.00294329/step, 2.11198 hours remaining, 206.714844 MB of memory in use. ENERGY: 2416800 745.7348 2100.7888 1943.4427 118.5268 -205998.8154 17696.5209 0.0000 0.0000 34259.5281 -149134.2733 299.1970 -183393.8015 -149047.5636 299.1331 -52.8328 -20.3080 558025.0299 -5.2364 -5.1716 PRESSURE: 2417000 330.921 134.511 146.864 134.51 353.911 70.5809 146.864 70.5806 12.7379 GPRESSURE: 2417000 321.874 154.487 61.7711 231.994 435.725 94.3423 156.83 13.6947 36.6575 PRESSAVG: 2417000 -14.8534 8.02795 -4.22359 8.02787 40.7517 -9.48259 -4.22353 -9.48256 -24.4963 GPRESSAVG: 2417000 -15.294 6.88534 -4.24853 9.14644 40.9785 -7.89015 -4.47484 -10.506 -24.2638 TIMING: 2417000 CPU: 7212.95, 0.00294832/step Wall: 7212.95, 0.00294832/step, 2.11542 hours remaining, 206.753906 MB of memory in use. ENERGY: 2417000 716.1158 2104.8425 1936.3046 111.7407 -206706.0495 18155.6386 0.0000 0.0000 34517.5642 -149163.8432 301.4505 -183681.4074 -149069.6039 299.5577 232.5233 264.7522 556247.7190 0.4673 0.4736 PRESSURE: 2417200 -160.833 -44.3748 -70.9847 -44.3754 -279.028 -25.6987 -70.9841 -25.6999 -16.9778 GPRESSURE: 2417200 -189.157 -43.0955 -68.836 74.7049 -199.863 -1.10275 -39.0514 -43.9419 31.8585 PRESSAVG: 2417200 -40.78 61.2897 8.39897 61.2897 50.926 36.0485 8.39898 36.0484 10.4195 GPRESSAVG: 2417200 -40.3722 63.3613 9.1754 59.1449 51.2654 37.0012 5.31975 35.9243 8.9308 TIMING: 2417200 CPU: 7213.54, 0.00295457/step Wall: 7213.54, 0.00295457/step, 2.11974 hours remaining, 206.753906 MB of memory in use. ENERGY: 2417200 759.9066 2091.1543 1943.6533 102.0494 -205820.2946 17600.8669 0.0000 0.0000 34048.9044 -149273.7596 297.3576 -183322.6640 -149171.8076 299.4311 -152.2794 -119.0537 556990.3899 6.8552 6.6080 PRESSURE: 2417400 -141.866 -1.94701 -117.829 -1.94671 -294.666 -13.3347 -117.83 -13.3353 -99.3535 GPRESSURE: 2417400 -83.1556 61.2786 -188.355 -24.8731 -272.969 -38.6382 -166.691 -80.5407 -85.6346 PRESSAVG: 2417400 29.6754 72.4083 36.9771 72.4083 14.6605 11.1203 36.9771 11.1204 -28.8947 GPRESSAVG: 2417400 29.8255 73.7251 36.0157 72.8752 13.6189 8.63721 38.874 12.0155 -27.6094 TIMING: 2417400 CPU: 7214.13, 0.00294705/step Wall: 7214.13, 0.00294705/step, 2.11418 hours remaining, 206.753906 MB of memory in use. ENERGY: 2417400 768.8165 2042.8498 1961.1567 113.3717 -205771.6425 17559.7105 0.0000 0.0000 34086.1159 -149239.6215 297.6825 -183325.7374 -149145.5650 299.5059 -178.6285 -147.2530 557762.2481 5.1471 5.2784 PRESSURE: 2417600 -245.555 -74.9787 20.7945 -74.9782 -63.3492 10.2032 20.7947 10.2033 -205.508 GPRESSURE: 2417600 -250.075 -148.943 -43.494 -66.323 -31.8896 70.6813 42.4265 58.6993 -146.211 PRESSAVG: 2417600 -20.7539 28.9727 -1.93287 28.9727 58.0233 34.2139 -1.93284 34.2138 -55.178 GPRESSAVG: 2417600 -20.1681 27.0794 -1.61839 28.2605 58.7048 36.1158 -4.18344 34.5078 -56.8213 TIMING: 2417600 CPU: 7214.72, 0.00295759/step Wall: 7214.72, 0.00295759/step, 2.12157 hours remaining, 206.753906 MB of memory in use. ENERGY: 2417600 770.0234 2081.5834 1964.7782 101.4269 -206285.8729 17701.5060 0.0000 0.0000 34392.9020 -149273.6530 300.3618 -183666.5551 -149170.5594 299.2294 -171.4706 -142.7252 556573.7028 -5.9696 -6.0948 PRESSURE: 2417800 124.873 100.726 -25.2841 100.725 110.506 86.4193 -25.2848 86.4195 -13.9697 GPRESSURE: 2417800 164.205 99.5262 3.6247 61.7053 114.984 91.3463 6.98167 119.4 45.1586 PRESSAVG: 2417800 32.5655 36.6914 -30.6706 36.6914 13.7993 -15.3801 -30.6707 -15.3801 -32.994 GPRESSAVG: 2417800 32.9669 37.2705 -30.4682 35.2348 14.3022 -15.3488 -29.1609 -16.6643 -33.8284 TIMING: 2417800 CPU: 7215.31, 0.00294525/step Wall: 7215.31, 0.00294525/step, 2.11256 hours remaining, 206.753906 MB of memory in use. ENERGY: 2417800 729.4319 2103.9976 1958.0122 107.2703 -206342.9519 17967.0987 0.0000 0.0000 34240.6984 -149236.4429 299.0325 -183477.1413 -149147.6120 299.7598 73.8030 108.1161 557372.8428 4.4569 4.4802 PRESSURE: 2418000 -75.4354 76.2179 6.57433 76.2181 79.0045 -143.435 6.57338 -143.435 -112.072 GPRESSURE: 2418000 -78.4259 75.9834 -69.9639 71.4543 126.966 -112.87 -7.51707 -13.0167 -67.7949 PRESSAVG: 2418000 43.8544 38.0997 -12.0742 38.0998 -10.856 0.872578 -12.0742 0.872541 -30.8688 GPRESSAVG: 2418000 43.329 36.3655 -13.4523 40.5785 -11.4771 1.32934 -10.2374 1.43752 -29.6558 TIMING: 2418000 CPU: 7215.9, 0.00293874/step Wall: 7215.9, 0.00293874/step, 2.10773 hours remaining, 206.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2418000 735.2307 2093.6455 1912.5273 107.5558 -206108.1550 17628.8050 0.0000 0.0000 34290.6932 -149339.6975 299.4692 -183630.3908 -149250.2969 299.0616 -36.1675 -6.4182 556910.4937 0.7099 0.7321 PRESSURE: 2418200 -106.811 -61.1794 61.4649 -61.1794 280.785 -102.884 61.464 -102.884 184.143 GPRESSURE: 2418200 -35.1755 -125.755 -60.5136 -25.6893 281.861 -211.095 132.624 -74.8491 201.119 PRESSAVG: 2418200 9.81096 -30.7089 -65.2946 -30.7088 65.4848 21.7662 -65.2946 21.7663 -57.0067 GPRESSAVG: 2418200 9.44941 -28.2517 -63.1486 -32.9325 65.8451 21.0921 -66.1713 21.6869 -56.9587 TIMING: 2418200 CPU: 7216.48, 0.00292315/step Wall: 7216.48, 0.00292315/step, 2.09639 hours remaining, 206.753906 MB of memory in use. ENERGY: 2418200 766.8848 2102.7886 1916.0241 98.7161 -206561.3789 18085.7791 0.0000 0.0000 34291.9782 -149299.2079 299.4804 -183591.1861 -149208.7633 299.2852 119.3723 149.2682 556456.4394 6.0964 6.1119 PRESSURE: 2418400 -257.793 0.429858 32.7382 0.431415 35.6801 13.1076 32.7366 13.1067 92.9704 GPRESSURE: 2418400 -190.603 -58.9889 -30.724 97.8421 47.6363 -47.23 90.5725 41.213 122.042 PRESSAVG: 2418400 -65.2981 -71.6743 -70.525 -71.6742 45.7894 42.0796 -70.5249 42.0795 -7.08986 GPRESSAVG: 2418400 -65.2752 -71.728 -73.66 -71.069 45.8048 43.9734 -69.3083 42.0525 -7.20287 TIMING: 2418400 CPU: 7217.07, 0.00293732/step Wall: 7217.07, 0.00293732/step, 2.10639 hours remaining, 206.753906 MB of memory in use. ENERGY: 2418400 779.2017 2048.6969 1944.7345 115.9884 -206138.8306 17801.4475 0.0000 0.0000 34076.2462 -149372.5154 297.5963 -183448.7616 -149275.7686 298.9993 -43.0476 -6.9749 555933.3149 -8.8662 -8.8911 PRESSURE: 2418600 45.7257 -180.728 75.1375 -180.727 -198.696 -81.5799 75.1381 -81.58 -332.598 GPRESSURE: 2418600 29.7047 -165.028 34.775 -187.583 -158.801 -2.2937 139.203 -194.229 -262.997 PRESSAVG: 2418600 -56.4489 -14.9905 -13.0162 -14.9906 24.286 16.3393 -13.0162 16.3393 9.89951 GPRESSAVG: 2418600 -56.4328 -15.6344 -11.468 -12.2025 23.8447 16.3534 -12.6127 14.3355 10.4812 TIMING: 2418600 CPU: 7217.66, 0.00293644/step Wall: 7217.66, 0.00293644/step, 2.10559 hours remaining, 206.753906 MB of memory in use. ENERGY: 2418600 747.5635 2096.8176 1915.3388 107.9320 -205843.3711 17430.4511 0.0000 0.0000 34278.7331 -149266.5350 299.3647 -183545.2681 -149165.7859 299.3652 -161.8563 -130.6977 556799.8255 -7.4211 -7.3690 PRESSURE: 2418800 114.391 -7.77652 106.832 -7.77757 -152.573 -32.058 106.831 -32.0576 -182.107 GPRESSURE: 2418800 174.308 55.9112 32.6302 -48.7348 -96.7885 -82.701 133.859 44.142 -206.618 PRESSAVG: 2418800 9.55138 -23.333 -29.8212 -23.3329 -5.53228 -34.8098 -29.8212 -34.8098 8.59339 GPRESSAVG: 2418800 9.81957 -23.824 -28.1818 -23.0742 -5.89697 -35.674 -32.4914 -34.8142 8.26527 TIMING: 2418800 CPU: 7218.24, 0.00293793/step Wall: 7218.24, 0.00293793/step, 2.10649 hours remaining, 206.753906 MB of memory in use. ENERGY: 2418800 785.8190 2068.1314 1945.0205 108.1018 -205735.5360 17471.2060 0.0000 0.0000 34180.1724 -149177.0848 298.5039 -183357.2572 -149084.1990 299.5473 -73.4296 -43.0329 555804.3351 4.2042 4.0626 PRESSURE: 2419000 -115.614 86.4916 163.432 86.4922 -203.957 113.572 163.432 113.571 -83.9027 GPRESSURE: 2419000 -132.767 30.7975 141.142 124.556 -87.1091 129.87 155.051 64.3153 -86.9747 PRESSAVG: 2419000 33.2901 -13.1231 -13.767 -13.1231 -2.92398 0.152528 -13.7671 0.152584 36.3691 GPRESSAVG: 2419000 33.1223 -10.6441 -15.9056 -16.5817 -3.23302 1.18855 -11.7705 0.295665 36.6788 TIMING: 2419000 CPU: 7218.83, 0.00293679/step Wall: 7218.83, 0.00293679/step, 2.10552 hours remaining, 206.753906 MB of memory in use. ENERGY: 2419000 763.4684 2083.8404 1952.0993 115.3007 -205732.0648 17610.0797 0.0000 0.0000 34119.4420 -149087.8343 297.9736 -183207.2763 -148999.2561 299.7636 -134.4914 -102.2835 556584.8965 22.2451 22.1894 PRESSURE: 2419200 -110.994 107.215 -53.6766 107.213 -151.397 30.8449 -53.6776 30.8458 13.8843 GPRESSURE: 2419200 -74.0229 152.66 -66.1276 99.5971 -95.7844 -46.5802 -3.84279 32.9651 29.8708 PRESSAVG: 2419200 -1.95953 -20.849 -32.546 -20.8491 48.4679 -25.3204 -32.5459 -25.3203 -74.2464 GPRESSAVG: 2419200 -3.78211 -23.5159 -29.993 -18.3477 50.0243 -27.9686 -33.3726 -23.7018 -74.2096 TIMING: 2419200 CPU: 7219.43, 0.00296998/step Wall: 7219.43, 0.00296998/step, 2.12915 hours remaining, 206.753906 MB of memory in use. ENERGY: 2419200 727.4486 2180.6577 1925.0961 110.2738 -206006.9796 17662.5343 0.0000 0.0000 34274.2647 -149126.7042 299.3257 -183400.9690 -149035.8410 299.7932 -82.8358 -46.6455 558116.0519 -9.2460 -9.3225 PRESSURE: 2419400 343.516 -131.394 -164.476 -131.394 -86.8157 -25.7356 -164.474 -25.7348 132.485 GPRESSURE: 2419400 338.622 -85.5028 -189.192 -165.246 -21.3256 23.195 -163.433 18.802 157.271 PRESSAVG: 2419400 43.7576 -26.7724 -8.66582 -26.7725 -5.74661 -18.7573 -8.66591 -18.7572 -6.57579 GPRESSAVG: 2419400 45.4215 -25.5271 -9.26517 -28.1476 -6.06618 -17.8797 -9.02863 -18.7042 -7.43682 TIMING: 2419400 CPU: 7220.02, 0.00298154/step Wall: 7220.02, 0.00298154/step, 2.13727 hours remaining, 206.753906 MB of memory in use. ENERGY: 2419400 729.7647 2138.4676 1937.0521 119.7319 -206043.7054 17830.7328 0.0000 0.0000 34333.7868 -148954.1695 299.8455 -183287.9563 -148859.4330 298.9590 129.7285 158.1891 557704.1263 10.4784 10.6395 PRESSURE: 2419600 -237.06 -109.11 -22.3709 -109.11 51.5829 -107.404 -22.3712 -107.403 -120.354 GPRESSURE: 2419600 -175.537 -46.1391 -8.18665 -82.4744 43.9286 -105.239 -93.052 -27.3837 -83.7956 PRESSAVG: 2419600 57.8951 15.5219 25.1007 15.5219 11.2529 -0.939818 25.1007 -0.9399 -31.7339 GPRESSAVG: 2419600 57.5072 13.7769 24.3831 16.9678 11.7739 -2.00113 23.7563 -0.209744 -32.1941 TIMING: 2419600 CPU: 7220.61, 0.00295729/step Wall: 7220.61, 0.00295729/step, 2.11972 hours remaining, 206.753906 MB of memory in use. ENERGY: 2419600 786.1035 2097.9324 1942.7718 104.1545 -205738.9452 17542.4519 0.0000 0.0000 34370.2756 -148895.2554 300.1642 -183265.5310 -148801.7153 300.0864 -101.9438 -71.8012 557809.4722 12.4714 12.3623 PRESSURE: 2419800 66.0127 -29.254 -65.992 -29.2553 85.0038 -77.98 -65.9922 -77.9795 -160.589 GPRESSURE: 2419800 120.345 0.167075 -115.853 10.8995 108.571 -115.392 -113.663 -37.7389 -154.4 PRESSAVG: 2419800 -16.3482 2.26259 -34.5796 2.26263 16.7626 30.9597 -34.5796 30.9598 -28.8249 GPRESSAVG: 2419800 -18.055 4.00095 -34.6011 0.997025 16.1549 31.4564 -31.7148 29.0076 -26.6241 TIMING: 2419800 CPU: 7221.2, 0.00295609/step Wall: 7221.2, 0.00295609/step, 2.1187 hours remaining, 206.753906 MB of memory in use. ENERGY: 2419800 742.3608 2100.6193 1966.7204 112.7242 -206523.7443 17994.7299 0.0000 0.0000 34532.2661 -149074.3235 301.5789 -183606.5896 -148963.6472 299.9133 -3.1907 24.8386 556696.1278 -9.4702 -9.5081 PRESSURE: 2420000 -79.2844 50.0251 -143.37 50.0256 94.1074 53.9518 -143.369 53.951 -109.558 GPRESSURE: 2420000 5.8353 1.60082 -82.2351 49.5716 62.7157 122.636 -123.963 23.0303 -66.4574 PRESSAVG: 2420000 10.2007 18.6598 -5.38531 18.6598 50.7778 29.2367 -5.3853 29.2367 -36.3968 GPRESSAVG: 2420000 11.723 18.5987 -5.22705 19.0435 50.1063 28.6372 -4.92007 30.3819 -36.7974 TIMING: 2420000 CPU: 7221.8, 0.00295346/step Wall: 7221.8, 0.00295346/step, 2.11665 hours remaining, 206.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2420000 744.5838 2089.9847 1940.7748 109.7760 -205999.9983 17658.1083 0.0000 0.0000 34200.6514 -149256.1193 298.6828 -183456.7707 -149157.0916 299.7381 -31.5782 0.6979 557035.7889 8.1939 8.3440 PRESSURE: 2420200 -293.764 68.77 51.8102 68.7695 201.075 -27.5423 51.8114 -27.5424 -8.29431 GPRESSURE: 2420200 -216.624 36.3256 114.031 69.7538 225.463 16.1448 26.1658 -131.016 -11.0945 PRESSAVG: 2420200 -28.239 4.06554 -43.1197 4.0655 11.0261 -1.84826 -43.1197 -1.84835 7.36487 GPRESSAVG: 2420200 -28.2552 2.50496 -43.6168 2.4565 11.6521 -1.97297 -44.7501 -1.59407 7.58135 TIMING: 2420200 CPU: 7222.39, 0.0029723/step Wall: 7222.39, 0.0029723/step, 2.12998 hours remaining, 206.753906 MB of memory in use. ENERGY: 2420200 738.2916 2140.4137 1920.3432 107.5216 -206320.1851 17872.0487 0.0000 0.0000 34260.1568 -149281.4095 299.2025 -183541.5663 -149187.4772 299.1186 -33.6611 -0.7519 557754.6016 -3.2827 -3.0072 LDB: ============= START OF LOAD BALANCING ============== 7225.93 LDB: ============== END OF LOAD BALANCING =============== 7225.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7225.93 LDB: ============= START OF LOAD BALANCING ============== 7226.23 LDB: Largest compute 4773 load 0.028129 is 23.8% of average load 0.118184 LDB: Average compute 0.001735 is 1.5% of average load 0.118184 LDB: TIME 7226.23 LOAD: AVG 0.118184 MAX 0.200579 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 7226.23 LOAD: AVG 0.118184 MAX 0.200579 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: TIME 7226.23 LOAD: AVG 0.118184 MAX 0.200579 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: ============== END OF LOAD BALANCING =============== 7226.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7226.24 PRESSURE: 2420400 -124.558 43.218 -147.163 43.2172 -236.956 98.713 -147.164 98.7144 -140.964 GPRESSURE: 2420400 -135.196 -0.23701 -104.224 68.4868 -218.343 36.8122 -165.405 102.768 -41.9799 PRESSAVG: 2420400 -10.1589 41.3776 -113.12 41.3776 40.6683 2.2598 -113.12 2.25986 -36.9488 GPRESSAVG: 2420400 -9.30329 43.3838 -112.158 41.1462 39.9628 3.81746 -111.894 0.849945 -37.7484 TIMING: 2420400 CPU: 7222.99, 0.00299823/step Wall: 7222.99, 0.00299823/step, 2.1484 hours remaining, 207.285156 MB of memory in use. ENERGY: 2420400 700.4270 2086.2229 1938.3980 109.0862 -205505.4773 17413.1272 0.0000 0.0000 34071.8259 -149186.3901 297.5577 -183258.2160 -149100.1206 299.4436 -167.4928 -131.8399 559045.6581 -2.1465 -2.3630 PRESSURE: 2420600 -84.9837 -121.455 -99.434 -121.454 -149.747 113.209 -99.4358 113.21 -95.3823 GPRESSURE: 2420600 -41.688 -135.64 -121.215 -5.49244 -95.2378 44.8587 -141.311 60.7563 -89.9865 PRESSAVG: 2420600 29.4873 49.1509 -24.1801 49.1509 19.8132 -33.5515 -24.18 -33.5515 -36.4591 GPRESSAVG: 2420600 29.2987 49.5957 -23.8958 49.6982 19.2402 -34.8357 -24.0355 -33.5471 -35.9042 TIMING: 2420600 CPU: 7223.58, 0.00297502/step Wall: 7223.58, 0.00297502/step, 2.13161 hours remaining, 207.285156 MB of memory in use. ENERGY: 2420600 735.0326 2101.2557 1970.2375 105.5879 -205912.2273 17553.6781 0.0000 0.0000 34213.7087 -149232.7268 298.7968 -183446.4355 -149136.3304 299.1105 -110.0376 -75.6374 555083.2898 4.2805 4.2116 PRESSURE: 2420800 -56.8977 89.2751 29.2926 89.2754 -84.2664 -44.6823 29.2932 -44.6821 -131.756 GPRESSURE: 2420800 -76.2718 59.6454 -54.9459 42.1905 -26.6166 -72.4776 148.303 -23.3588 -80.1823 PRESSAVG: 2420800 39.9088 14.9856 -57.9731 14.9856 22.743 1.60909 -57.9731 1.6091 -49.7413 GPRESSAVG: 2420800 38.7847 15.1162 -59.419 17.2424 24.0936 2.18786 -57.3581 2.67888 -49.5264 TIMING: 2420800 CPU: 7224.18, 0.00296941/step Wall: 7224.18, 0.00296941/step, 2.12742 hours remaining, 207.285156 MB of memory in use. ENERGY: 2420800 768.8779 2147.5655 1919.1547 117.6387 -206141.2871 17593.5152 0.0000 0.0000 34356.1206 -149238.4146 300.0405 -183594.5352 -149145.1829 299.9688 -90.9733 -61.0236 557720.7198 4.3035 4.4507 PRESSURE: 2421000 118.302 146.589 8.46262 146.588 171.306 -71.24 8.46312 -71.2379 28.5772 GPRESSURE: 2421000 164.343 105.994 -5.66785 111.294 202.9 -38.6093 -31.9343 -29.0379 48.2674 PRESSAVG: 2421000 -1.18597 18.4998 9.97554 18.4998 34.5789 -7.13318 9.97555 -7.13315 -62.4821 GPRESSAVG: 2421000 0.0342715 17.6407 10.4302 16.588 34.42 -5.763 8.40877 -7.32013 -63.7521 TIMING: 2421000 CPU: 7224.78, 0.00299339/step Wall: 7224.78, 0.00299339/step, 2.14443 hours remaining, 207.285156 MB of memory in use. ENERGY: 2421000 743.2635 2115.1641 1959.5445 117.0008 -206821.7845 18144.5935 0.0000 0.0000 34451.9820 -149290.2361 300.8777 -183742.2182 -149189.5383 298.9567 106.0618 138.5034 555660.7781 -9.6964 -9.7659 PRESSURE: 2421200 -452.517 146.727 61.2441 146.727 50.209 48.8476 61.2438 48.8474 -490.679 GPRESSURE: 2421200 -446.828 175.325 79.4294 82.0497 92.8003 46.1307 201.974 90.1288 -426.348 PRESSAVG: 2421200 18.1791 -1.82142 9.01432 -1.82143 70.4219 0.0700264 9.01433 0.0700608 -32.236 GPRESSAVG: 2421200 18.5827 -1.4009 9.91807 -2.19101 70.3251 -1.7145 9.38543 -1.05767 -32.8835 TIMING: 2421200 CPU: 7225.37, 0.00297178/step Wall: 7225.37, 0.00297178/step, 2.12878 hours remaining, 207.285156 MB of memory in use. ENERGY: 2421200 747.8791 2086.7870 1939.3398 109.5210 -205656.2865 17226.8918 0.0000 0.0000 34324.6799 -149221.1879 299.7660 -183545.8679 -149121.4406 299.9195 -297.6622 -260.1251 554697.9227 18.7883 18.6748 PRESSURE: 2421400 -196.32 -116.361 132.626 -116.362 -30.5584 -168.662 132.626 -168.661 -311.122 GPRESSURE: 2421400 -151.628 -164.51 225.245 -19.9205 -46.536 -128.932 -8.32101 -142.575 -257.511 PRESSAVG: 2421400 52.3105 -38.7027 16.7698 -38.7027 12.9792 -4.75402 16.7697 -4.75394 -56.2732 GPRESSAVG: 2421400 50.4891 -40.5154 17.0643 -38.0599 12.5507 -5.49812 17.7724 -3.40001 -54.1805 TIMING: 2421400 CPU: 7225.96, 0.00295808/step Wall: 7225.96, 0.00295808/step, 2.11881 hours remaining, 207.285156 MB of memory in use. ENERGY: 2421400 741.1075 2049.9487 1946.5340 108.2221 -206114.0579 17643.7184 0.0000 0.0000 34331.3478 -149293.1795 299.8242 -183624.5273 -149194.2100 299.9108 -179.3334 -151.8915 556858.4139 3.0055 2.9531 PRESSURE: 2421600 -52.1822 -16.0138 -46.8886 -16.0131 -94.6608 -47.896 -46.8889 -47.8958 23.5569 GPRESSURE: 2421600 -27.9288 27.1198 -16.1675 -33.9371 -70.4257 -35.4347 -64.4502 -60.3743 68.5192 PRESSAVG: 2421600 24.1181 -47.1127 2.64718 -47.1129 42.1336 -35.6662 2.64722 -35.6662 -25.444 GPRESSAVG: 2421600 24.857 -45.5146 2.3209 -48.0553 41.5502 -36.1404 1.5498 -36.087 -25.5633 TIMING: 2421600 CPU: 7226.55, 0.00295173/step Wall: 7226.55, 0.00295173/step, 2.11409 hours remaining, 207.285156 MB of memory in use. ENERGY: 2421600 767.0840 2089.3211 1937.2045 109.9073 -205705.4019 17447.8896 0.0000 0.0000 34159.1523 -149194.8430 298.3204 -183353.9953 -149106.7834 300.1168 -41.0954 -9.9451 556270.8372 13.6026 13.6146 PRESSURE: 2421800 150.26 -134.706 -38.0089 -134.706 -52.4599 77.7077 -38.0085 77.7065 198.917 GPRESSURE: 2421800 160.036 -49.5742 -102.983 -186.009 15.8057 120.193 9.70884 97.2394 215.105 PRESSAVG: 2421800 48.8802 17.4622 6.20318 17.4621 -24.2816 -27.4266 6.2031 -27.4266 -20.5289 GPRESSAVG: 2421800 48.7149 18.4989 5.19549 17.9399 -23.0411 -26.0084 5.56998 -25.6995 -22.7067 TIMING: 2421800 CPU: 7227.15, 0.00296994/step Wall: 7227.15, 0.00296994/step, 2.12697 hours remaining, 207.285156 MB of memory in use. ENERGY: 2421800 742.0879 2104.7095 1940.8053 111.3571 -206410.0720 17860.8045 0.0000 0.0000 34390.8571 -149259.4505 300.3439 -183650.3076 -149163.6118 300.2592 98.9055 130.3156 555463.7801 1.3566 0.9890 PRESSURE: 2422000 133.9 -15.7505 -182.905 -15.751 -5.0267 -185.548 -182.906 -185.547 -22.1149 GPRESSURE: 2422000 136.008 -13.9448 -258.113 2.93757 43.2486 -240.614 -145.859 -138.311 21.8056 PRESSAVG: 2422000 30.0629 -26.1124 -6.70741 -26.1123 -12.9441 8.95122 -6.70747 8.95119 -9.4211 GPRESSAVG: 2422000 31.1182 -26.3247 -6.39282 -26.9135 -14.6898 8.60654 -5.54791 8.49559 -8.39733 TIMING: 2422000 CPU: 7227.73, 0.00292538/step Wall: 7227.73, 0.00292538/step, 2.09489 hours remaining, 207.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2422000 743.3535 2075.6056 1953.0442 121.8102 -206425.8732 17856.5435 0.0000 0.0000 34368.7411 -149306.7752 300.1508 -183675.5163 -149212.6895 299.8546 35.5863 67.0209 556186.0413 2.5659 2.6770 PRESSURE: 2422200 -220.8 91.8937 29.4905 91.8933 -455.393 1.09662 29.4894 1.09561 -308.233 GPRESSURE: 2422200 -223.292 52.7347 -55.526 11.8083 -365.372 -78.6715 64.7811 48.3402 -301.519 PRESSAVG: 2422200 -39.1038 -14.2406 -22.3533 -14.2406 33.3162 -70.9015 -22.3534 -70.9016 3.82925 GPRESSAVG: 2422200 -40.501 -13.3043 -22.2225 -14.3055 34.0524 -72.063 -21.6994 -72.0634 4.13372 TIMING: 2422200 CPU: 7228.32, 0.00295417/step Wall: 7228.32, 0.00295417/step, 2.11535 hours remaining, 207.285156 MB of memory in use. ENERGY: 2422200 767.9045 2097.6893 1935.3882 104.4259 -205787.1636 17468.2427 0.0000 0.0000 34125.1223 -149288.3906 298.0232 -183413.5129 -149182.6959 299.0630 -328.1422 -296.7275 557960.6208 -0.6528 -0.7716 PRESSURE: 2422400 -11.8012 -7.19145 74.0747 -7.19089 93.7879 -35.4572 74.0744 -35.4568 -107.779 GPRESSURE: 2422400 -38.909 -52.3009 11.9696 11.1616 152.527 44.3674 75.5441 -48.0182 -45.9998 PRESSAVG: 2422400 -4.26029 31.819 -48.3912 31.8192 -30.1789 -64.6676 -48.3911 -64.6675 -10.7131 GPRESSAVG: 2422400 -4.38119 29.7918 -48.9493 34.5374 -30.136 -63.0076 -50.025 -65.3194 -10.8605 TIMING: 2422400 CPU: 7228.92, 0.0029588/step Wall: 7228.92, 0.0029588/step, 2.1185 hours remaining, 207.285156 MB of memory in use. ENERGY: 2422400 746.5087 2111.3511 1932.9434 99.7577 -206173.6685 17737.5677 0.0000 0.0000 34368.6185 -149176.9215 300.1497 -183545.5399 -149086.6083 299.7860 -8.5975 22.5394 557265.6605 -15.0508 -15.1259 PRESSURE: 2422600 -243.587 131.785 -17.7822 131.785 19.0812 168.828 -17.7825 168.828 -302.859 GPRESSURE: 2422600 -156.621 196.563 -70.6536 77.5162 32.2224 173.575 7.89617 166.607 -318.257 PRESSAVG: 2422600 -27.8349 -5.92917 -16.1357 -5.92916 33.7669 -27.3675 -16.1357 -27.3676 10.2095 GPRESSAVG: 2422600 -27.8625 -6.81357 -14.983 -6.5485 34.1045 -29.1482 -15.6494 -23.5458 10.1329 TIMING: 2422600 CPU: 7229.5, 0.00294628/step Wall: 7229.5, 0.00294628/step, 2.10938 hours remaining, 207.285156 MB of memory in use. ENERGY: 2422600 730.7148 2131.5904 1941.3695 105.5847 -205999.2479 17540.5399 0.0000 0.0000 34299.8824 -149249.5661 299.5494 -183549.4485 -149155.0888 299.6128 -175.7882 -147.5517 556014.8865 5.3805 5.4583 PRESSURE: 2422800 -223.295 -125.885 71.3009 -125.886 36.8888 -173.713 71.2998 -173.715 -38.3481 GPRESSURE: 2422800 -182.749 -169.768 32.1478 -81.4 85.0261 -57.2576 107.15 -242.395 -36.1908 PRESSAVG: 2422800 -10.4469 -26.9956 12.7455 -26.9956 41.5399 7.3582 12.7455 7.35832 -31.2237 GPRESSAVG: 2422800 -9.8398 -26.322 13.3628 -25.957 40.5951 8.80952 12.3981 5.36916 -30.537 TIMING: 2422800 CPU: 7230.09, 0.00293518/step Wall: 7230.09, 0.00293518/step, 2.10126 hours remaining, 207.285156 MB of memory in use. ENERGY: 2422800 756.4673 2146.0701 1946.6988 109.0559 -206520.3206 17937.9977 0.0000 0.0000 34442.3051 -149181.7257 300.7932 -183624.0308 -149085.0017 299.5214 -74.9181 -44.6379 557274.7685 -0.0436 0.0728 PRESSURE: 2423000 -34.8023 -60.3114 113.971 -60.3127 60.6746 113.122 113.972 113.122 51.4442 GPRESSURE: 2423000 37.7347 -0.0627092 37.5303 -127.379 76.7625 34.9342 127.068 118.385 62.0752 PRESSAVG: 2423000 4.52471 59.3662 -59.6982 59.3662 -7.25046 -6.35409 -59.6981 -6.35404 -40.509 GPRESSAVG: 2423000 5.28668 58.507 -60.3708 59.3561 -8.10668 -9.61777 -59.8039 -6.55468 -40.3315 TIMING: 2423000 CPU: 7230.68, 0.0029425/step Wall: 7230.68, 0.0029425/step, 2.10634 hours remaining, 207.285156 MB of memory in use. ENERGY: 2423000 734.4961 2044.1207 1927.0135 112.0507 -206288.7397 17793.6675 0.0000 0.0000 34281.5556 -149395.8355 299.3894 -183677.3911 -149300.0807 299.9199 25.7722 58.8574 557387.2704 -14.4116 -14.3838 PRESSURE: 2423200 -205.985 -55.0496 89.6168 -55.0504 -57.7594 192.482 89.6161 192.483 -122.133 GPRESSURE: 2423200 -198.975 8.63287 106.144 -55.4122 -13.3959 101.627 40.2848 207.957 -66.2696 PRESSAVG: 2423200 -31.4334 1.97002 -38.8099 1.97002 41.086 -9.72086 -38.8098 -9.72078 -9.70101 GPRESSAVG: 2423200 -32.2378 4.65403 -40.1544 -0.287197 41.7413 -6.12463 -40.5991 -7.99045 -9.94473 TIMING: 2423200 CPU: 7231.27, 0.00295981/step Wall: 7231.27, 0.00295981/step, 2.11856 hours remaining, 207.285156 MB of memory in use. ENERGY: 2423200 767.5514 2103.0702 1944.8503 116.9060 -206115.4339 17666.8379 0.0000 0.0000 34181.9348 -149334.2832 298.5193 -183516.2180 -149240.2817 299.4384 -128.6258 -92.8801 557891.8358 -0.0161 -0.1471 PRESSURE: 2423400 -84.5739 65.977 22.6833 65.9764 183.868 -69.8376 22.6824 -69.8357 37.327 GPRESSURE: 2423400 -93.608 45.8005 11.6815 -20.9704 286.005 -60.1617 -6.4492 -117.982 48.0398 PRESSAVG: 2423400 20.9793 92.3493 -29.9255 92.3492 -2.06273 21.7235 -29.9255 21.7236 -52.0289 GPRESSAVG: 2423400 20.3204 89.4399 -31.3429 94.7193 -1.37453 19.1279 -25.8114 22.2186 -52.1017 TIMING: 2423400 CPU: 7231.87, 0.00296502/step Wall: 7231.87, 0.00296502/step, 2.12213 hours remaining, 207.285156 MB of memory in use. ENERGY: 2423400 728.3598 2013.5842 1924.5731 117.9479 -206586.2131 17966.9740 0.0000 0.0000 34307.4461 -149527.3279 299.6155 -183834.7740 -149424.9487 298.8160 45.5402 80.1455 556399.7819 -11.0374 -11.0519 PRESSURE: 2423600 -264.798 55.5447 118.735 55.5439 -122.516 -33.8277 118.735 -33.8293 70.427 GPRESSURE: 2423600 -180.068 58.2946 80.973 106.915 -89.4118 -20.362 105.792 -2.29417 55.1192 PRESSAVG: 2423600 -60.8784 -15.2904 7.70181 -15.2904 80.2141 51.942 7.70178 51.9418 -1.06213 GPRESSAVG: 2423600 -60.3106 -12.9511 10.1246 -15.3909 79.4454 53.2432 4.42939 52.0962 -0.965265 TIMING: 2423600 CPU: 7232.46, 0.00296745/step Wall: 7232.46, 0.00296745/step, 2.1237 hours remaining, 207.285156 MB of memory in use. ENERGY: 2423600 763.7238 2055.0017 1928.6940 107.4800 -205998.1488 17696.6203 0.0000 0.0000 34018.5128 -149428.1162 297.0921 -183446.6290 -149340.4850 298.5224 -105.6289 -71.4534 557340.4498 6.0912 6.0565 PRESSURE: 2423800 -13.9462 36.518 79.2701 36.5184 198.339 109.595 79.2694 109.595 206.533 GPRESSURE: 2423800 53.9263 -56.14 23.7804 110.114 244.554 166.059 123.232 174.831 187.289 PRESSAVG: 2423800 -47.398 -0.609648 -20.6632 -0.609658 64.7398 49.9152 -20.6632 49.9152 -26.8557 GPRESSAVG: 2423800 -47.2695 -3.14628 -20.6006 -0.835554 64.8062 49.0598 -20.0247 48.7685 -27.0051 TIMING: 2423800 CPU: 7233.05, 0.00297955/step Wall: 7233.05, 0.00297955/step, 2.1322 hours remaining, 207.285156 MB of memory in use. ENERGY: 2423800 737.3688 2112.2891 1929.5360 122.5850 -206538.6836 18077.8422 0.0000 0.0000 34123.9796 -149435.0828 298.0132 -183559.0624 -149341.0569 299.4162 130.3086 161.9233 556450.1908 -3.1713 -3.1561 PRESSURE: 2424000 -201.099 163.801 -111.439 163.802 -238.732 78.6713 -111.438 78.6712 -37.9978 GPRESSURE: 2424000 -135.514 285.388 -124.429 59.2309 -194.459 43.2973 -117.593 57.5551 -43.9355 PRESSAVG: 2424000 -9.00885 -0.866194 -35.3187 -0.866223 -33.421 -19.1882 -35.3186 -19.1883 50.9607 GPRESSAVG: 2424000 -9.02641 -1.36943 -35.4445 -1.25301 -33.1011 -19.0172 -36.1581 -21.3925 50.9886 TIMING: 2424000 CPU: 7233.65, 0.00297907/step Wall: 7233.65, 0.00297907/step, 2.13169 hours remaining, 207.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2424000 771.7889 2070.4964 1946.1996 111.9547 -206084.9267 17656.3158 0.0000 0.0000 34150.8223 -149377.3490 298.2476 -183528.1714 -149274.9756 298.5766 -159.2764 -124.6362 557453.4077 2.8436 2.9537 PRESSURE: 2424200 -134.914 -62.4747 58.209 -62.4757 -85.5267 -18.0905 58.2093 -18.0911 106.108 GPRESSURE: 2424200 -164.794 -84.5066 67.4257 -67.7913 -28.3154 -1.57751 67.3827 -27.2681 165.947 PRESSAVG: 2424200 4.61751 21.0587 -41.615 21.0587 -25.7597 17.6938 -41.6149 17.694 31.6337 GPRESSAVG: 2424200 3.00401 22.3165 -41.3646 22.5595 -24.3617 17.4077 -40.2074 19.7617 31.7988 TIMING: 2424200 CPU: 7234.24, 0.00295969/step Wall: 7234.24, 0.00295969/step, 2.11766 hours remaining, 207.285156 MB of memory in use. ENERGY: 2424200 742.6977 2071.7333 1922.5091 104.9210 -206225.4785 17716.8921 0.0000 0.0000 34159.3708 -149507.3544 298.3223 -183666.7252 -149411.6423 298.4582 -38.1108 -9.0543 558342.2421 3.4971 3.4804 LDB: ============= START OF LOAD BALANCING ============== 7237.79 LDB: ============== END OF LOAD BALANCING =============== 7237.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7237.79 LDB: ============= START OF LOAD BALANCING ============== 7238.09 LDB: Largest compute 4773 load 0.027892 is 23.6% of average load 0.118141 LDB: Average compute 0.001732 is 1.5% of average load 0.118141 LDB: TIME 7238.09 LOAD: AVG 0.118141 MAX 0.202228 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.664 MB LDB: TIME 7238.09 LOAD: AVG 0.118141 MAX 0.202228 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.664 MB LDB: TIME 7238.09 LOAD: AVG 0.118141 MAX 0.202228 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.664 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7238.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7238.1 PRESSURE: 2424400 -86.358 208.983 -17.7321 208.983 -156.518 -40.8328 -17.732 -40.8314 27.2201 GPRESSURE: 2424400 -36.7869 145.365 60.4988 171.812 -182.792 -19.2325 -33.664 -38.7317 100.937 PRESSAVG: 2424400 30.9606 -17.8177 -6.87253 -17.8178 6.85173 10.3999 -6.87258 10.3998 -13.6284 GPRESSAVG: 2424400 32.0377 -16.7682 -8.04475 -18.8845 5.86137 9.80296 -6.89256 9.7403 -13.4581 TIMING: 2424400 CPU: 7234.85, 0.00302088/step Wall: 7234.85, 0.00302088/step, 2.16127 hours remaining, 206.777344 MB of memory in use. ENERGY: 2424400 787.7817 2058.7123 1915.3146 112.9014 -206107.0046 17790.0774 0.0000 0.0000 33946.3993 -149495.8180 296.4623 -183442.2172 -149398.8692 298.4212 -71.8852 -39.5473 558011.3785 8.0613 8.1470 PRESSURE: 2424600 221.045 183.889 -20.9971 183.889 63.1227 9.694 -20.9964 9.69506 68.2883 GPRESSURE: 2424600 262.803 169.736 22.3412 157.709 67.9036 47.7115 -15.4514 14.8665 115.025 PRESSAVG: 2424600 36.6295 22.8597 26.5361 22.8596 -29.3477 -3.93628 26.5362 -3.93622 23.3829 GPRESSAVG: 2424600 37.7017 22.7978 28.8724 21.6778 -29.2905 -3.64134 27.1659 -2.45405 21.9117 TIMING: 2424600 CPU: 7235.44, 0.00297116/step Wall: 7235.44, 0.00297116/step, 2.12553 hours remaining, 206.777344 MB of memory in use. ENERGY: 2424600 723.4280 2055.6706 1932.3913 106.3949 -206556.8103 18135.5977 0.0000 0.0000 34187.8208 -149415.5070 298.5707 -183603.3278 -149322.8885 299.4140 117.4855 148.5774 557241.7158 10.2215 10.1076 PRESSURE: 2424800 189.731 15.2941 113.287 15.2937 179.718 10.206 113.287 10.2058 8.05923 GPRESSURE: 2424800 265.978 128.867 70.2644 -39.2546 191.058 -59.4622 166.131 78.4723 14.7009 PRESSAVG: 2424800 4.28287 15.4621 -25.5328 15.4622 39.5059 -3.88699 -25.5328 -3.88702 5.36167 GPRESSAVG: 2424800 1.36602 16.2547 -28.1793 15.7224 40.7542 -4.72279 -25.5079 -4.71188 6.1815 TIMING: 2424800 CPU: 7236.03, 0.00295144/step Wall: 7236.03, 0.00295144/step, 2.11126 hours remaining, 206.777344 MB of memory in use. ENERGY: 2424800 713.4549 2117.7593 1954.2116 126.1452 -206624.0226 17938.3867 0.0000 0.0000 34258.7049 -149515.3599 299.1898 -183774.0648 -149419.0830 298.4043 125.8360 157.2455 555814.8677 16.3835 16.1006 PRESSURE: 2425000 173.398 -122.291 26.6668 -122.29 -114.718 93.8849 26.6674 93.8851 69.1641 GPRESSURE: 2425000 210.322 -125.96 -49.4984 -119.006 -18.1397 19.3965 94.2793 117.964 32.3953 PRESSAVG: 2425000 9.18202 35.6361 27.0461 35.636 -12.9833 13.6572 27.0462 13.6572 16.0392 GPRESSAVG: 2425000 9.51158 34.7775 29.2631 37.2266 -12.9975 14.7638 24.7253 13.9042 15.7314 TIMING: 2425000 CPU: 7236.63, 0.00299265/step Wall: 7236.63, 0.00299265/step, 2.14057 hours remaining, 206.777344 MB of memory in use. ENERGY: 2425000 739.5085 2070.9704 1926.9164 121.7367 -206314.2810 17789.9866 0.0000 0.0000 34258.5840 -149406.5783 299.1887 -183665.1622 -149307.5825 298.1984 42.6147 74.8592 555813.2746 4.0793 4.0818 PRESSURE: 2425200 -195.155 55.5264 -48.5467 55.5262 -76.5316 142.235 -48.5464 142.235 -71.0809 GPRESSURE: 2425200 -187.39 10.9816 -17.1681 117.223 5.02634 159.061 -87.6878 128.65 -49.5774 PRESSAVG: 2425200 -14.5832 39.1557 -4.0356 39.1557 -3.7829 71.7725 -4.03555 71.7726 4.2673 GPRESSAVG: 2425200 -13.6605 39.6808 -6.38831 37.8445 -4.33868 71.8111 -2.82949 71.1332 4.07111 TIMING: 2425200 CPU: 7237.22, 0.00297118/step Wall: 7237.22, 0.00297118/step, 2.12505 hours remaining, 206.777344 MB of memory in use. ENERGY: 2425200 752.6010 2084.3523 1935.6397 113.4611 -206196.5144 17730.2968 0.0000 0.0000 34081.3860 -149498.7776 297.6412 -183580.1636 -149405.9768 298.1715 -114.2558 -77.3136 556740.5316 -4.6996 -4.6427 PRESSURE: 2425400 -409.764 -108.704 123.843 -108.704 210.882 81.4357 123.844 81.4346 -317.03 GPRESSURE: 2425400 -313.351 -84.0178 87.5945 -125.453 181.607 41.0733 173.412 144.308 -292.32 PRESSAVG: 2425400 27.5945 -43.506 -34.6179 -43.5061 -1.7007 -23.4619 -34.6179 -23.4618 -17.0194 GPRESSAVG: 2425400 27.3212 -42.431 -31.7563 -45.1905 -1.5304 -25.0229 -34.448 -22.1701 -16.885 TIMING: 2425400 CPU: 7237.82, 0.00297706/step Wall: 7237.82, 0.00297706/step, 2.12909 hours remaining, 206.777344 MB of memory in use. ENERGY: 2425400 712.4984 2068.0807 1975.6185 112.3950 -206176.2804 17637.3790 0.0000 0.0000 34284.6286 -149385.6802 299.4162 -183670.3088 -149287.9671 299.0864 -171.9707 -141.3549 558014.4200 2.9581 2.9686 PRESSURE: 2425600 23.7868 -73.583 119.169 -73.5838 26.3775 -70.5643 119.17 -70.5637 -126.946 GPRESSURE: 2425600 123.948 -77.0566 152.144 -113.288 11.9914 -110.367 58.3371 -64.4635 -119.252 PRESSAVG: 2425600 26.5217 -1.44793 3.35267 -1.44796 14.2478 -45.16 3.3527 -45.1599 -42.7305 GPRESSAVG: 2425600 27.4843 -2.32739 -0.498322 0.866815 12.9997 -43.5902 2.2229 -46.7602 -42.6471 TIMING: 2425600 CPU: 7238.41, 0.00296074/step Wall: 7238.41, 0.00296074/step, 2.11726 hours remaining, 206.777344 MB of memory in use. ENERGY: 2425600 731.4808 2140.8194 1956.7201 110.8649 -206378.8365 17825.2751 0.0000 0.0000 34368.4139 -149245.2623 300.1479 -183613.6762 -149155.7431 299.8694 -25.5939 5.5623 557601.1192 -0.6537 -0.7210 PRESSURE: 2425800 -61.5468 -110.834 -149.51 -110.834 -123.566 -1.9863 -149.509 -1.98581 -58.2483 GPRESSURE: 2425800 -77.6019 -72.4665 -113.74 -52.9602 -104.041 16.9865 -119.975 25.5425 28.584 PRESSAVG: 2425800 12.0296 -36.1342 65.964 -36.1341 -13.3582 25.6758 65.9641 25.6759 26.0917 GPRESSAVG: 2425800 10.2511 -36.5465 67.1683 -36.1428 -12.7944 24.1224 67.2534 24.9626 27.4482 TIMING: 2425800 CPU: 7239.01, 0.00297229/step Wall: 7239.01, 0.00297229/step, 2.12535 hours remaining, 206.777344 MB of memory in use. ENERGY: 2425800 748.4727 2075.1417 1963.7118 98.2277 -205815.7324 17500.8385 0.0000 0.0000 34117.3316 -149312.0084 297.9551 -183429.3400 -149215.5126 299.2767 -81.1202 -51.0196 557190.0335 8.2544 8.3016 PRESSURE: 2426000 -85.8838 60.6817 -10.4835 60.6819 108.777 152.424 -10.4835 152.425 -68.6654 GPRESSURE: 2426000 -36.5094 -54.897 7.23015 87.9047 105.369 188.351 68.3649 109.475 -9.3371 PRESSAVG: 2426000 20.8683 -38.5813 -39.4513 -38.5812 0.193051 47.7421 -39.4514 47.7421 41.5344 GPRESSAVG: 2426000 21.2647 -37.6718 -39.5825 -41.2677 0.113399 48.3006 -39.1259 49.7009 41.673 TIMING: 2426000 CPU: 7239.6, 0.00298086/step Wall: 7239.6, 0.00298086/step, 2.13131 hours remaining, 206.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2426000 749.4850 2084.5726 1931.5385 106.5621 -206070.8520 17743.6371 0.0000 0.0000 34244.9166 -149210.1401 299.0694 -183455.0567 -149113.0209 299.5927 -15.2575 19.8408 557472.6725 20.8652 21.0170 PRESSURE: 2426200 -122.838 -225.35 -86.995 -225.351 54.5546 -24.713 -86.9961 -24.7141 -175.584 GPRESSURE: 2426200 -70.9809 -241.575 -82.7891 -73.213 85.9187 -69.9593 -39.9965 13.1856 -165.265 PRESSAVG: 2426200 -80.3174 -1.92287 -41.8759 -1.92288 -18.7509 39.1388 -41.8758 39.1389 110.108 GPRESSAVG: 2426200 -79.9633 -2.37604 -40.9547 0.221222 -16.3613 39.1707 -42.5117 37.9932 107.736 TIMING: 2426200 CPU: 7240.2, 0.00297657/step Wall: 7240.2, 0.00297657/step, 2.12808 hours remaining, 206.777344 MB of memory in use. ENERGY: 2426200 735.0544 2094.8325 1922.8285 114.6451 -205993.9192 17728.7867 0.0000 0.0000 34207.5591 -149190.2128 298.7431 -183397.7720 -149098.7495 298.7771 -81.2889 -50.1092 558794.2452 3.6799 3.8037 PRESSURE: 2426400 -236.556 74.7821 -116.366 74.7828 -124.855 -145.65 -116.366 -145.649 11.0022 GPRESSURE: 2426400 -153.571 22.9198 -160.138 34.7229 -94.5837 -84.4339 -89.425 -142.247 0.223132 PRESSAVG: 2426400 -13.4262 -27.2995 -13.2838 -27.2995 41.0326 38.8771 -13.2837 38.877 -21.4863 GPRESSAVG: 2426400 -11.3681 -29.1187 -14.4679 -25.1467 38.8175 38.5057 -15.0026 41.5329 -20.7606 TIMING: 2426400 CPU: 7240.79, 0.00296712/step Wall: 7240.79, 0.00296712/step, 2.12116 hours remaining, 206.777344 MB of memory in use. ENERGY: 2426400 751.7698 2086.1894 1922.4464 113.4820 -206067.6834 17671.2993 0.0000 0.0000 34289.1479 -149233.3485 299.4557 -183522.4964 -149131.4444 298.8578 -116.8029 -82.6439 559345.0983 2.0401 2.2296 PRESSURE: 2426600 -37.8085 -237.634 -98.7857 -237.634 199.873 -80.9972 -98.7856 -80.9988 -104.997 GPRESSURE: 2426600 -18.6771 -278.14 -106.243 -272.164 197.592 -1.04973 -128.351 -139.389 -31.1495 PRESSAVG: 2426600 -22.9791 11.3892 7.97956 11.3892 18.5425 -22.7431 7.97957 -22.7429 -39.9992 GPRESSAVG: 2426600 -23.4634 14.1034 7.74258 6.98296 18.2063 -23.078 8.88202 -23.4269 -38.9115 TIMING: 2426600 CPU: 7241.38, 0.00295733/step Wall: 7241.38, 0.00295733/step, 2.11399 hours remaining, 206.777344 MB of memory in use. ENERGY: 2426600 754.4891 2132.7517 1907.9883 125.2403 -206466.1238 18067.2723 0.0000 0.0000 34372.2757 -149106.1063 300.1816 -183478.3820 -149012.6862 299.2582 19.0225 49.2550 559496.9694 -14.8119 -14.7229 PRESSURE: 2426800 -10.2326 -63.6255 36.6855 -63.6262 -198.327 118.581 36.6855 118.581 -157.471 GPRESSURE: 2426800 -31.227 -9.03956 -81.6768 12.6563 -118.004 173.941 87.7315 53.3981 -116.46 PRESSAVG: 2426800 -22.1983 71.4743 24.2943 71.4742 10.5905 68.0554 24.2944 68.0553 2.62891 GPRESSAVG: 2426800 -21.7043 70.9064 27.0733 72.3295 10.7542 67.0076 24.4898 68.2668 1.63472 TIMING: 2426800 CPU: 7241.98, 0.00297049/step Wall: 7241.98, 0.00297049/step, 2.12324 hours remaining, 206.816406 MB of memory in use. ENERGY: 2426800 729.8081 2139.4598 1951.8806 112.7803 -206168.0484 17767.4684 0.0000 0.0000 34183.6842 -149282.9670 298.5346 -183466.6512 -149184.0041 299.4466 -122.0102 -88.5638 559705.1735 -2.9930 -3.1051 PRESSURE: 2427000 -64.4194 -125.143 -331.271 -125.143 7.49456 157.727 -331.271 157.725 -57.4652 GPRESSURE: 2427000 -12.7363 -179.395 -245.818 -155.46 37.1524 161.486 -317.83 159.286 -61.5412 PRESSAVG: 2427000 -15.3778 5.1822 -7.07411 5.18235 -6.33235 14.6331 -7.07413 14.633 -7.87044 GPRESSAVG: 2427000 -17.4796 6.67058 -8.17206 5.17824 -4.8972 16.2611 -6.58654 12.9912 -6.52811 TIMING: 2427000 CPU: 7242.57, 0.00295701/step Wall: 7242.57, 0.00295701/step, 2.11344 hours remaining, 206.816406 MB of memory in use. ENERGY: 2427000 740.5404 2114.1595 1943.9705 120.2731 -206079.4969 17612.3705 0.0000 0.0000 34256.8560 -149291.3270 299.1736 -183548.1830 -149203.5119 299.5542 -38.1300 -12.3750 556994.2020 -9.8602 -9.6350 PRESSURE: 2427200 -14.5316 35.6831 -11.4895 35.6832 -137.04 197.306 -11.4903 197.305 51.054 GPRESSURE: 2427200 25.5246 153.159 -76.648 32.5431 -96.6497 227.328 -44.0408 123.477 72.0812 PRESSAVG: 2427200 -2.78122 -31.9454 13.5197 -31.9453 73.0293 88.4176 13.5197 88.4176 -25.5367 GPRESSAVG: 2427200 -1.82545 -34.1276 13.0192 -31.2337 71.6654 89.3537 11.6327 87.8044 -25.1186 TIMING: 2427200 CPU: 7243.16, 0.002969/step Wall: 7243.16, 0.002969/step, 2.12185 hours remaining, 206.816406 MB of memory in use. ENERGY: 2427200 742.3759 2101.1816 1950.3816 107.6237 -206333.0555 17906.4592 0.0000 0.0000 34289.1390 -149235.8946 299.4556 -183525.0336 -149134.6842 299.7094 -33.5060 0.3187 557845.8835 14.9038 14.9071 PRESSURE: 2427400 -4.46861 -27.9379 -14.2642 -27.939 251.681 238.605 -14.2645 238.604 119.481 GPRESSURE: 2427400 47.1577 -8.0704 111.753 2.76468 210.675 227.635 -66.8367 146.819 206.263 PRESSAVG: 2427400 -62.2011 29.4625 21.5298 29.4625 45.8524 44.1002 21.5298 44.1003 -3.64525 GPRESSAVG: 2427400 -62.2536 28.8059 21.2221 29.7281 46.1444 43.6621 21.571 45.6689 -3.51773 TIMING: 2427400 CPU: 7243.76, 0.00297425/step Wall: 7243.76, 0.00297426/step, 2.12544 hours remaining, 206.816406 MB of memory in use. ENERGY: 2427400 731.7312 2131.4420 1926.6711 112.3328 -206576.7991 18064.4486 0.0000 0.0000 34297.5405 -149312.6329 299.5290 -183610.1734 -149220.5519 299.8147 122.2314 154.6985 556872.9931 -6.6647 -6.5423 PRESSURE: 2427600 -45.5834 -125.778 12.4958 -125.78 -177.192 -23.4398 12.4959 -23.4399 -128.503 GPRESSURE: 2427600 -38.8919 -168.848 50.3453 -86.4147 -139.036 -10.7286 -91.3439 -85.6151 -73.7645 PRESSAVG: 2427600 28.2145 -38.2253 -48.3201 -38.2253 -13.615 56.6558 -48.3199 56.6557 -49.3143 GPRESSAVG: 2427600 28.6169 -37.019 -48.4139 -40.0255 -12.442 56.5184 -46.4917 55.7379 -50.3308 TIMING: 2427600 CPU: 7244.35, 0.0029722/step Wall: 7244.35, 0.0029722/step, 2.1238 hours remaining, 206.816406 MB of memory in use. ENERGY: 2427600 778.6635 2122.0158 1958.6374 108.0515 -206214.0853 17661.8459 0.0000 0.0000 34247.6117 -149337.2595 299.0929 -183584.8712 -149239.8557 299.3596 -117.0929 -83.8975 557916.7530 -11.5716 -11.3853 PRESSURE: 2427800 -315.927 -107.476 68.6402 -107.474 -347.62 -73.2783 68.64 -73.2786 -25.7011 GPRESSURE: 2427800 -289.833 -135.83 171.247 -75.6345 -302.792 -132.573 34.3321 -98.0323 -17.83 PRESSAVG: 2427800 4.74331 0.137069 19.2811 0.137138 -71.0356 -24.6866 19.2811 -24.6865 23.1934 GPRESSAVG: 2427800 4.83624 0.151178 16.1855 -0.537309 -71.4143 -24.2748 19.6119 -24.0901 24.1166 TIMING: 2427800 CPU: 7244.94, 0.00296234/step Wall: 7244.94, 0.00296234/step, 2.1166 hours remaining, 206.816406 MB of memory in use. ENERGY: 2427800 735.9322 2123.0538 1963.9581 110.4011 -205900.3668 17552.4743 0.0000 0.0000 34091.1145 -149323.4328 297.7262 -183414.5474 -149223.9747 299.1125 -229.7496 -203.4852 558169.4214 -14.3663 -14.1538 PRESSURE: 2428000 -162.949 -33.7135 -239.143 -33.7129 -438.679 -48.8857 -239.142 -48.8841 -228.165 GPRESSURE: 2428000 -157.413 -54.063 -209.325 -102.134 -369.297 31.4616 -229.573 -41.8136 -209.425 PRESSAVG: 2428000 58.5489 -1.39543 -21.8048 -1.39543 -62.9711 -0.840671 -21.8049 -0.840624 45.8348 GPRESSAVG: 2428000 56.7881 -1.67167 -19.7088 -1.90822 -61.4026 0.736468 -22.3159 -2.45748 46.2214 TIMING: 2428000 CPU: 7245.53, 0.00295024/step Wall: 7245.53, 0.00295024/step, 2.10778 hours remaining, 206.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2428000 764.4993 2117.3168 1953.3819 112.2265 -206050.6503 17610.2915 0.0000 0.0000 34000.2859 -149492.6484 296.9330 -183492.9343 -149385.7233 298.9492 -276.5974 -245.3787 557467.4910 13.8042 13.8690 PRESSURE: 2428200 85.194 -1.28259 -48.1073 -1.28071 -163.324 -60.008 -48.1064 -60.0079 91.4147 GPRESSURE: 2428200 111.506 24.0754 -27.427 68.7214 -100.31 -27.345 -97.7244 -6.21978 88.0293 PRESSAVG: 2428200 26.1032 -24.7598 2.18958 -24.7599 -54.0566 -20.558 2.18967 -20.5579 26.9093 GPRESSAVG: 2428200 27.9545 -24.3287 -0.113882 -23.9322 -55.9498 -23.1338 2.91505 -20.1289 27.1268 TIMING: 2428200 CPU: 7246.12, 0.00294239/step Wall: 7246.12, 0.00294239/step, 2.10201 hours remaining, 206.816406 MB of memory in use. ENERGY: 2428200 733.6734 2098.7859 1947.3051 126.1015 -206542.8844 17869.2060 0.0000 0.0000 34140.5807 -149627.2319 298.1582 -183767.8126 -149535.5171 299.4701 4.4282 33.0750 555913.6771 -0.3480 -0.2895 LDB: ============= START OF LOAD BALANCING ============== 7249.67 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7249.67 LDB: =============== DONE WITH MIGRATION ================ 7249.67 LDB: ============= START OF LOAD BALANCING ============== 7249.96 LDB: Largest compute 4773 load 0.027178 is 23.0% of average load 0.118217 LDB: Average compute 0.001740 is 1.5% of average load 0.118217 LDB: TIME 7249.97 LOAD: AVG 0.118217 MAX 0.202496 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.57 MB LDB: TIME 7249.97 LOAD: AVG 0.118217 MAX 0.202496 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.574 MB LDB: TIME 7249.97 LOAD: AVG 0.118217 MAX 0.202496 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.574 MB LDB: ============== END OF LOAD BALANCING =============== 7249.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7249.97 PRESSURE: 2428400 187.65 1.81217 -116.587 1.81173 82.068 9.12377 -116.589 9.12601 131.601 GPRESSURE: 2428400 155.196 -37.4473 -96.8505 -45.3995 153.888 -52.343 -90.1116 57.998 204.501 PRESSAVG: 2428400 40.5722 32.2091 15.6745 32.2092 -26.4135 -28.6634 15.6745 -28.6635 0.589622 GPRESSAVG: 2428400 40.5194 34.0538 19.7534 32.2739 -26.2578 -27.7306 13.8524 -28.0452 1.19536 TIMING: 2428400 CPU: 7246.72, 0.0030053/step Wall: 7246.72, 0.0030053/step, 2.14679 hours remaining, 207.089844 MB of memory in use. ENERGY: 2428400 753.4614 2060.4126 1978.9828 111.6101 -206488.8348 17932.1047 0.0000 0.0000 34073.4773 -149578.7858 297.5722 -183652.2632 -149482.4948 298.0327 133.7729 171.1950 555495.2045 4.9161 5.1523 PRESSURE: 2428600 -7.37427 12.6808 -186.105 12.6808 -150.83 -221.331 -186.106 -221.331 -167.272 GPRESSURE: 2428600 -10.6939 -3.37785 -93.7569 59.4006 -117.144 -295.384 -212.203 -122.932 -104.356 PRESSAVG: 2428600 -40.1067 43.5929 -39.6092 43.5929 60.1606 -10.5155 -39.6092 -10.5156 18.7286 GPRESSAVG: 2428600 -39.5588 39.9375 -38.5894 45.0737 61.2818 -11.2548 -41.6794 -10.8876 17.2295 TIMING: 2428600 CPU: 7247.31, 0.00295641/step Wall: 7247.31, 0.00295641/step, 2.1117 hours remaining, 207.089844 MB of memory in use. ENERGY: 2428600 770.6378 2087.2030 1964.5954 102.8186 -206609.3200 17855.3267 0.0000 0.0000 34206.9282 -149621.8102 298.7376 -183828.7385 -149521.8469 298.9850 -108.4920 -77.3981 556682.4728 12.9275 12.9841 PRESSURE: 2428800 87.0978 -87.041 -41.2139 -87.0399 196.397 266.716 -41.2141 266.715 -122.672 GPRESSURE: 2428800 126.23 -34.1872 -76.7861 -116.077 216.548 267.454 -28.255 153.944 -72.3367 PRESSAVG: 2428800 0.603228 -1.1463 -52.389 -1.14625 -38.2174 -26.3005 -52.3891 -26.3006 29.0312 GPRESSAVG: 2428800 0.229405 1.00723 -55.4662 -1.72968 -39.397 -27.4699 -49.1473 -26.9506 30.3925 TIMING: 2428800 CPU: 7247.9, 0.00294804/step Wall: 7247.9, 0.00294804/step, 2.10556 hours remaining, 207.089844 MB of memory in use. ENERGY: 2428800 724.8982 2129.9239 1931.6059 101.7770 -206331.5333 17834.5883 0.0000 0.0000 34235.0037 -149373.7362 298.9828 -183608.7399 -149276.3410 298.5216 53.6078 90.1471 557129.1149 -2.8610 -2.9250 PRESSURE: 2429000 -86.8546 -64.6255 -20.4895 -64.6257 -42.8843 101.699 -20.4894 101.699 111.862 GPRESSURE: 2429000 -28.6699 -47.0498 19.7122 -61.2102 41.9305 65.2948 -82.832 85.4093 65.9918 PRESSAVG: 2429000 56.9851 -50.9698 -18.2698 -50.9699 -12.9546 -2.29944 -18.2697 -2.29948 -12.3136 GPRESSAVG: 2429000 57.3626 -50.9502 -17.0189 -52.3553 -12.2369 -2.3061 -19.4682 -0.151876 -13.5806 TIMING: 2429000 CPU: 7248.5, 0.00296082/step Wall: 7248.5, 0.00296082/step, 2.11452 hours remaining, 207.089844 MB of memory in use. ENERGY: 2429000 722.5954 2097.6617 1954.4200 106.3852 -206765.9295 18027.9546 0.0000 0.0000 34185.9416 -149670.9711 298.5543 -183856.9127 -149575.0552 298.3495 -5.9589 26.4174 557334.3110 10.5723 10.5151 PRESSURE: 2429200 -53.7899 -127.125 73.5005 -127.124 -150.135 -118.982 73.5003 -118.983 -9.68535 GPRESSURE: 2429200 -118.795 -107.539 141.3 -129.091 -58.2317 -241.591 24.294 -110.101 59.3775 PRESSAVG: 2429200 2.19707 -22.0539 -22.47 -22.0539 19.5883 -35.2865 -22.4699 -35.2865 7.21034 GPRESSAVG: 2429200 1.72116 -23.1817 -25.1887 -20.3404 20.4074 -34.1945 -20.2549 -36.6863 6.76562 TIMING: 2429200 CPU: 7249.08, 0.00293775/step Wall: 7249.08, 0.00293775/step, 2.09788 hours remaining, 207.089844 MB of memory in use. ENERGY: 2429200 703.2388 2117.6583 1945.6165 108.7344 -206314.5244 17688.8084 0.0000 0.0000 34456.5598 -149293.9082 300.9177 -183750.4680 -149199.6566 298.5972 -71.2033 -39.2164 557620.8202 9.6652 9.6314 PRESSURE: 2429400 235.17 60.3725 -120.015 60.3723 191.832 -81.2451 -120.015 -81.2459 62.8385 GPRESSURE: 2429400 200.152 41.0732 -106.217 15.4678 180.45 -70.3714 -237.839 -27.0953 194.776 PRESSAVG: 2429400 27.009 43.9072 -53.2092 43.9073 11.3981 -53.5069 -53.2092 -53.507 -37.8079 GPRESSAVG: 2429400 26.9204 44.5625 -50.4676 45.056 10.5642 -53.41 -55.9346 -56.2327 -36.8545 TIMING: 2429400 CPU: 7249.68, 0.00298544/step Wall: 7249.68, 0.00298544/step, 2.13177 hours remaining, 207.089844 MB of memory in use. ENERGY: 2429400 739.0227 2091.1097 1937.3396 105.0558 -206342.6274 17953.4125 0.0000 0.0000 34362.4907 -149154.1963 300.0962 -183516.6870 -149056.7417 299.2995 163.2801 191.7928 555769.2523 0.1997 0.2101 PRESSURE: 2429600 -212.146 51.0721 4.55576 51.0728 -331.204 9.92258 4.5562 9.92305 -39.6748 GPRESSURE: 2429600 -171.183 66.5507 -35.1592 7.77469 -310.986 53.8216 -37.0062 -31.4614 5.23831 PRESSAVG: 2429600 -22.4159 -16.4042 -37.685 -16.4041 1.54468 -26.2769 -37.685 -26.2769 40.2353 GPRESSAVG: 2429600 -21.2567 -15.3543 -40.2201 -16.9581 1.28313 -25.8931 -37.3035 -25.6454 39.2208 TIMING: 2429600 CPU: 7250.28, 0.00298091/step Wall: 7250.28, 0.00298091/step, 2.12837 hours remaining, 207.089844 MB of memory in use. ENERGY: 2429600 740.0960 2125.7962 1927.6638 116.2995 -206133.5703 17577.5573 0.0000 0.0000 34421.3630 -149224.7945 300.6103 -183646.1575 -149123.2806 300.0231 -194.3415 -158.9768 556529.8041 6.4547 6.4157 PRESSURE: 2429800 71.223 124.319 -67.0534 124.32 208.154 -108.052 -67.0525 -108.052 -320.66 GPRESSURE: 2429800 79.066 20.2471 34.9788 118.828 238.568 -91.3313 -136.611 -127.832 -271.634 PRESSAVG: 2429800 45.158 4.70171 -12.1837 4.70172 48.1667 -6.92281 -12.1837 -6.92281 -51.2264 GPRESSAVG: 2429800 44.2569 4.89785 -11.8442 5.5604 48.9559 -6.62806 -10.1128 -6.81682 -50.9774 TIMING: 2429800 CPU: 7250.87, 0.00299109/step Wall: 7250.87, 0.00299109/step, 2.13547 hours remaining, 207.292969 MB of memory in use. ENERGY: 2429800 753.0146 2064.0165 1948.3507 109.5314 -206447.2634 17912.5203 0.0000 0.0000 34436.1635 -149223.6664 300.7396 -183659.8299 -149129.0518 299.8221 -13.7611 15.3335 557505.9767 14.0328 14.0785 PRESSURE: 2430000 -227.139 -77.8453 11.9767 -77.8433 101.269 -131.007 11.9773 -131.008 -212.101 GPRESSURE: 2430000 -193.838 6.74333 51.3305 -114.773 155.704 -145.652 -108.91 -122.72 -213.683 PRESSAVG: 2430000 52.4088 -16.1861 15.4708 -16.1861 69.064 -64.3238 15.4707 -64.3238 -100.218 GPRESSAVG: 2430000 52.9597 -17.4989 17.6563 -16.0644 68.449 -66.8302 13.0681 -62.4839 -99.8957 TIMING: 2430000 CPU: 7251.47, 0.00295894/step Wall: 7251.47, 0.00295894/step, 2.11235 hours remaining, 207.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2430000 767.2135 2058.5369 1941.6693 115.4416 -206078.2129 17791.7263 0.0000 0.0000 34358.5083 -149045.1169 300.0614 -183403.6252 -148947.3557 299.8748 -112.6571 -83.9388 557077.2955 7.0851 7.1710 PRESSURE: 2430200 9.59311 72.9155 19.4011 72.9149 -112.973 -179.563 19.4009 -179.563 87.2789 GPRESSURE: 2430200 0.67827 140.352 -73.2251 41.0716 -61.569 -43.1249 34.5582 -186.998 152.556 PRESSAVG: 2430200 55.8896 -39.2426 10.9336 -39.2427 4.35984 -37.082 10.9336 -37.082 -62.8352 GPRESSAVG: 2430200 55.4496 -39.1166 10.5316 -38.7175 4.86118 -34.7651 11.8153 -37.323 -63.0226 TIMING: 2430200 CPU: 7252.06, 0.00295842/step Wall: 7252.06, 0.00295842/step, 2.11182 hours remaining, 207.292969 MB of memory in use. ENERGY: 2430200 715.6459 2036.6948 1986.8377 128.9151 -205855.4013 17670.4454 0.0000 0.0000 34411.6789 -148905.1836 300.5258 -183316.8625 -148804.8447 300.2629 -5.3670 30.5552 557236.2591 -0.8619 -0.9039 PRESSURE: 2430400 178.115 186.91 66.6512 186.91 100.668 -48.1682 66.6505 -48.1683 81.9049 GPRESSURE: 2430400 155.425 189.721 31.1424 98.331 184.067 -74.3324 43.3881 -19.0142 123.535 PRESSAVG: 2430400 -15.2068 9.49308 28.9784 9.49306 29.1544 -0.839753 28.9784 -0.839696 -8.90194 GPRESSAVG: 2430400 -15.0991 11.525 29.593 7.84565 29.2019 -0.679493 29.1886 -1.24737 -8.89792 TIMING: 2430400 CPU: 7252.65, 0.00296646/step Wall: 7252.65, 0.00296646/step, 2.11739 hours remaining, 207.292969 MB of memory in use. ENERGY: 2430400 730.8378 2017.0657 1931.7080 110.1577 -206097.1986 18011.9310 0.0000 0.0000 34339.3607 -148956.1378 299.8942 -183295.4985 -148856.4023 300.1529 120.2293 154.3423 557422.3881 1.6819 1.7349 PRESSURE: 2430600 -244.488 90.1872 -33.5679 90.187 267.512 194.241 -33.5673 194.242 285.946 GPRESSURE: 2430600 -208.624 52.5515 -91.3482 13.5109 278.192 108.796 6.6075 180.226 329.68 PRESSAVG: 2430600 24.3256 40.4625 0.660181 40.4626 -15.3859 -23.1239 0.660266 -23.1238 -49.2149 GPRESSAVG: 2430600 24.5735 38.3839 0.792674 40.7403 -15.2276 -23.9854 -0.32151 -23.868 -49.4285 TIMING: 2430600 CPU: 7253.25, 0.00298364/step Wall: 7253.25, 0.00298364/step, 2.12949 hours remaining, 207.292969 MB of memory in use. ENERGY: 2430600 720.9115 2044.9165 1968.4349 111.6760 -205933.9766 17861.2440 0.0000 0.0000 34236.8634 -148989.9302 298.9990 -183226.7936 -148897.9803 299.5622 102.9902 133.0826 557830.7212 -13.4251 -13.3609 PRESSURE: 2430800 -101.479 -53.7309 -45.8427 -53.7311 127.403 -56.3537 -45.8423 -56.3534 -33.2625 GPRESSURE: 2430800 -44.4221 -32.2333 1.20152 -74.3567 123.157 -100.798 -27.4379 -27.297 13.3531 PRESSAVG: 2430800 25.5011 -7.73617 -12.2138 -7.73621 14.7559 57.2604 -12.2138 57.2605 -70.2238 GPRESSAVG: 2430800 26.5343 -7.49792 -11.355 -5.8892 14.1202 57.6279 -13.1874 58.1244 -70.2915 TIMING: 2430800 CPU: 7253.84, 0.00298122/step Wall: 7253.84, 0.00298122/step, 2.1276 hours remaining, 207.292969 MB of memory in use. ENERGY: 2430800 737.9410 2104.7637 1951.7319 102.8026 -206103.1900 17676.4071 0.0000 0.0000 34460.6735 -149068.8701 300.9536 -183529.5437 -148981.5740 300.0027 -2.4460 30.6960 557803.1315 -9.9889 -9.8790 PRESSURE: 2431000 60.8915 -20.0742 -70.528 -20.0745 -25.3334 -112.18 -70.5287 -112.182 90.6958 GPRESSURE: 2431000 138.767 19.4503 -2.76812 -59.3282 -55.3338 -262.447 -152.382 -114.564 137.587 PRESSAVG: 2431000 37.5314 -48.0154 24.441 -48.0154 3.37879 -15.7446 24.441 -15.7447 -46.6591 GPRESSAVG: 2431000 36.7074 -48.5465 23.6981 -49.4029 4.08848 -15.729 24.8524 -16.2022 -46.1733 TIMING: 2431000 CPU: 7254.44, 0.00296675/step Wall: 7254.44, 0.00296675/step, 2.11711 hours remaining, 207.292969 MB of memory in use. ENERGY: 2431000 730.4701 2108.8370 1951.9351 106.5978 -206094.8726 17767.3910 0.0000 0.0000 34228.0059 -149201.6356 298.9217 -183429.6416 -149108.3715 300.0050 42.0846 73.6733 557374.4199 -1.9163 -1.7925 PRESSURE: 2431200 74.3391 259.51 -85.6168 259.509 -309.264 -35.8796 -85.6179 -35.8816 -266.306 GPRESSURE: 2431200 76.6676 325.043 -3.81138 273.684 -292.462 30.5698 -55.9988 -35.2128 -194.695 PRESSAVG: 2431200 27.6272 43.3129 -17.9084 43.313 -30.6685 -39.2152 -17.9084 -39.2153 9.84282 GPRESSAVG: 2431200 28.9 43.301 -17.1033 44.0861 -31.1936 -39.5517 -17.3141 -38.6897 9.4123 TIMING: 2431200 CPU: 7255.03, 0.00297998/step Wall: 7255.03, 0.00297998/step, 2.12638 hours remaining, 207.292969 MB of memory in use. ENERGY: 2431200 759.4391 2127.1146 1941.8301 104.4393 -206113.0888 17669.9079 0.0000 0.0000 34407.0356 -149103.3222 300.4852 -183510.3578 -149016.8088 299.6475 -167.0772 -136.8299 557465.1244 2.2672 2.3729 PRESSURE: 2431400 155.83 109.022 -122.923 109.022 -156.926 254.293 -122.924 254.294 -200.539 GPRESSURE: 2431400 167.196 99.3127 -192.301 141.768 -148.244 189.891 -126.763 207.321 -118.094 PRESSAVG: 2431400 28.146 51.1396 11.2979 51.1396 -13.0057 14.5861 11.2979 14.5861 11.9672 GPRESSAVG: 2431400 27.3616 53.662 9.46297 51.0801 -13.6623 15.3212 13.8834 14.686 13.4185 TIMING: 2431400 CPU: 7255.63, 0.00295624/step Wall: 7255.63, 0.00295624/step, 2.10928 hours remaining, 207.292969 MB of memory in use. ENERGY: 2431400 735.2452 2078.5231 1932.2260 122.7298 -206386.7742 17959.5109 0.0000 0.0000 34439.5030 -149119.0362 300.7687 -183558.5392 -149029.9325 299.7363 -67.2119 -33.0476 556750.6343 9.0359 9.0393 PRESSURE: 2431600 32.9797 61.279 -126.85 61.2791 121.382 -10.8301 -126.848 -10.8318 -248.259 GPRESSURE: 2431600 46.8068 57.8633 -73.0001 126.706 125.153 -98.8111 -78.8921 -54.5751 -164.231 PRESSAVG: 2431600 44.1213 -1.50339 -31.4825 -1.50338 33.2692 17.385 -31.4825 17.385 -76.7279 GPRESSAVG: 2431600 43.2155 -3.69826 -30.0392 -1.23897 34.1579 16.6177 -34.3643 18.1959 -77.5424 TIMING: 2431600 CPU: 7256.22, 0.00296424/step Wall: 7256.22, 0.00296424/step, 2.11482 hours remaining, 207.292969 MB of memory in use. ENERGY: 2431600 759.7732 2096.0384 1958.3705 113.8941 -206037.8758 17779.8892 0.0000 0.0000 34174.9125 -149154.9980 298.4580 -183329.9105 -149064.3314 299.2064 -31.2991 2.5763 556414.0861 0.2209 -0.0563 PRESSURE: 2431800 -40.7182 45.7753 96.4379 45.7751 156.107 -33.2742 96.4382 -33.2716 96.76 GPRESSURE: 2431800 -24.8282 42.3799 72.2311 33.8229 178.457 -11.0023 68.7634 37.5371 156.239 PRESSAVG: 2431800 12.4008 -1.48599 10.2979 -1.48605 -15.9196 5.68709 10.2978 5.68701 10.1167 GPRESSAVG: 2431800 12.9628 0.658008 9.11209 -5.25144 -15.5245 7.8044 11.3707 3.96362 8.31344 TIMING: 2431800 CPU: 7256.81, 0.00295998/step Wall: 7256.81, 0.00295998/step, 2.11162 hours remaining, 207.292969 MB of memory in use. ENERGY: 2431800 708.2771 2065.3883 1950.9367 107.5133 -206146.6089 17833.1356 0.0000 0.0000 34285.9635 -149195.3944 299.4278 -183481.3579 -149093.1437 299.2285 70.7164 103.2891 556401.9552 2.1993 1.9172 PRESSURE: 2432000 -159.362 -98.93 -24.7538 -98.9282 1.19241 -33.4501 -24.7546 -33.45 -260.834 GPRESSURE: 2432000 -119.87 -125.536 65.3276 -109.664 38.6519 -36.4261 -121.361 -29.9588 -252.547 PRESSAVG: 2432000 -35.5735 -34.8194 -28.2017 -34.8195 16.6996 -0.303522 -28.2017 -0.303503 33.2105 GPRESSAVG: 2432000 -35.6001 -38.499 -26.6502 -32.2354 15.4517 -3.8083 -29.9991 0.913906 34.4892 TIMING: 2432000 CPU: 7257.4, 0.00296924/step Wall: 7257.4, 0.00296924/step, 2.11806 hours remaining, 207.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2432000 732.2843 2057.8551 1939.3120 110.8513 -205559.5839 17454.6227 0.0000 0.0000 34011.5497 -149253.1087 297.0313 -183264.6585 -149154.9213 299.4407 -139.6677 -111.2553 557020.9256 4.7789 4.7803 PRESSURE: 2432200 123.452 52.9431 46.7917 52.9443 163.843 -240.721 46.7916 -240.723 -221.654 GPRESSURE: 2432200 143.351 -1.3154 46.8378 112.176 212.273 -266.744 42.8894 -240.441 -192.005 PRESSAVG: 2432200 -2.61104 -26.0186 -32.67 -26.0187 -1.10914 -16.2729 -32.67 -16.2729 29.1957 GPRESSAVG: 2432200 -2.44473 -24.8434 -32.5377 -25.732 0.49961 -14.1436 -32.2295 -18.2364 27.2133 TIMING: 2432200 CPU: 7258, 0.00295733/step Wall: 7258, 0.00295733/step, 2.1094 hours remaining, 207.292969 MB of memory in use. ENERGY: 2432200 767.5907 2079.9134 1931.3627 108.1070 -205872.4615 17684.7893 0.0000 0.0000 33993.0430 -149307.6554 296.8697 -183300.6984 -149216.2384 298.1557 21.8804 54.5397 557511.6565 8.4918 8.4227 LDB: ============= START OF LOAD BALANCING ============== 7261.54 LDB: ============== END OF LOAD BALANCING =============== 7261.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7261.55 LDB: ============= START OF LOAD BALANCING ============== 7261.84 LDB: Largest compute 4773 load 0.027260 is 23.1% of average load 0.118181 LDB: Average compute 0.001741 is 1.5% of average load 0.118181 LDB: TIME 7261.85 LOAD: AVG 0.118181 MAX 0.202992 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.117 MB LDB: TIME 7261.85 LOAD: AVG 0.118181 MAX 0.202992 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: TIME 7261.85 LOAD: AVG 0.118181 MAX 0.202992 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: ============== END OF LOAD BALANCING =============== 7261.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7261.85 PRESSURE: 2432400 -131.79 43.4469 -70.6298 43.4467 -89.2693 -88.1904 -70.6304 -88.1924 -76.8184 GPRESSURE: 2432400 -159.172 81.1278 -115.688 41.5801 -57.3285 -84.1097 2.16906 -10.9963 10.045 PRESSAVG: 2432400 -49.1197 -40.2275 13.5054 -40.2275 15.5835 -5.49209 13.5054 -5.49214 53.0928 GPRESSAVG: 2432400 -49.8608 -38.0745 13.1376 -40.3094 13.31 -7.95733 14.8314 -2.43598 56.3933 TIMING: 2432400 CPU: 7258.6, 0.00302975/step Wall: 7258.6, 0.00302975/step, 2.16088 hours remaining, 207.921875 MB of memory in use. ENERGY: 2432400 726.9309 2074.6657 1947.0684 112.2787 -206143.0760 17677.7699 0.0000 0.0000 34221.7831 -149382.5793 298.8673 -183604.3624 -149285.5632 298.6599 -99.2926 -68.8186 557180.2199 6.5189 6.6142 PRESSURE: 2432600 -97.0634 180.376 138.167 180.376 -268.484 120.64 138.169 120.641 -288.7 GPRESSURE: 2432600 -11.8388 170.256 168.108 126.686 -258.148 169.646 101.569 88.4011 -290.603 PRESSAVG: 2432600 118.291 -16.1067 -46.1089 -16.1067 -66.4566 30.7847 -46.1089 30.7848 -65.7874 GPRESSAVG: 2432600 119.099 -18.1097 -46.1933 -15.9251 -64.7457 31.6739 -46.4068 29.2258 -68.8238 TIMING: 2432600 CPU: 7259.2, 0.00297096/step Wall: 7259.2, 0.00297096/step, 2.11879 hours remaining, 207.921875 MB of memory in use. ENERGY: 2432600 762.0272 2101.1315 1930.5188 105.1788 -205978.1422 17504.3647 0.0000 0.0000 34263.9865 -149310.9347 299.2359 -183574.9213 -149219.4085 298.9619 -218.0827 -186.8633 556521.6924 -4.6511 -4.8236 PRESSURE: 2432800 -100.208 51.8163 -88.0161 51.8169 -192.475 28.9772 -88.0167 28.9766 -134.609 GPRESSURE: 2432800 -71.1121 39.4374 -122.154 65.9922 -149.025 21.9674 -115.808 31.9851 -109.626 PRESSAVG: 2432800 71.6849 -18.538 30.5591 -18.538 -13.6253 8.01859 30.559 8.01877 -27.2581 GPRESSAVG: 2432800 71.0139 -16.8211 30.5942 -19.1845 -13.1316 8.5104 31.4651 8.39144 -26.8542 TIMING: 2432800 CPU: 7259.79, 0.00296969/step Wall: 7259.79, 0.00296969/step, 2.11772 hours remaining, 207.921875 MB of memory in use. ENERGY: 2432800 759.1932 2068.7719 1953.4513 106.7920 -206238.0675 17673.6553 0.0000 0.0000 34383.9000 -149292.3038 300.2832 -183676.2037 -149195.8816 299.3101 -142.4308 -109.9213 557613.6354 10.2672 10.3427 PRESSURE: 2433000 -199.486 102.416 -222.716 102.415 -266.447 -145.719 -222.717 -145.721 37.1916 GPRESSURE: 2433000 -144.626 99.4501 -143.981 63.0304 -265.612 -63.1887 -214.79 -143.624 71.5483 PRESSAVG: 2433000 -54.3974 34.9278 -32.0384 34.9277 5.99143 33.5649 -32.0384 33.565 46.1815 GPRESSAVG: 2433000 -53.426 34.2143 -33.267 35.1474 4.38583 33.9912 -30.9175 34.3904 47.2335 TIMING: 2433000 CPU: 7260.39, 0.0029862/step Wall: 7260.39, 0.0029862/step, 2.12933 hours remaining, 207.921875 MB of memory in use. ENERGY: 2433000 749.5637 2061.4033 1950.5171 110.7867 -205762.0678 17443.9396 0.0000 0.0000 34165.8304 -149280.0269 298.3787 -183445.8573 -149188.5842 299.3460 -142.9140 -112.8965 557186.2304 -0.7415 -0.6022 PRESSURE: 2433200 -84.4042 -75.646 -23.1403 -75.646 -32.0761 -85.0993 -23.1413 -85.0993 49.3799 GPRESSURE: 2433200 -26.2856 -136.684 -39.6448 -141.331 -13.2616 -117.045 5.17192 -110.817 66.3402 PRESSAVG: 2433200 -35.9381 13.4104 -4.69357 13.4105 -19.0683 -3.10399 -4.69332 -3.10393 54.1088 GPRESSAVG: 2433200 -37.2493 11.4025 -4.75779 14.2887 -18.2242 -3.34012 -3.01198 -5.03104 54.4471 TIMING: 2433200 CPU: 7260.99, 0.00302137/step Wall: 7260.99, 0.00302137/step, 2.15424 hours remaining, 207.921875 MB of memory in use. ENERGY: 2433200 745.1473 2140.6197 1957.0248 129.0689 -206485.3839 17888.7095 0.0000 0.0000 34298.9249 -149325.8888 299.5410 -183624.8137 -149237.9343 298.9451 -22.3668 8.9310 557793.3040 -0.2992 -0.3421 PRESSURE: 2433400 111.234 -37.3088 158.377 -37.3094 102.953 -44.4594 158.375 -44.4589 -131.153 GPRESSURE: 2433400 136.635 -52.7914 160.46 -65.0598 122.149 -78.4256 198.83 -9.22647 -72.0538 PRESSAVG: 2433400 3.2266 54.1775 -0.473609 54.1776 3.7264 42.0521 -0.473647 42.0522 -0.907063 GPRESSAVG: 2433400 4.28335 55.5331 1.64947 52.8571 2.96497 43.4346 -2.79359 42.4646 -1.51081 TIMING: 2433400 CPU: 7261.59, 0.00301879/step Wall: 7261.59, 0.00301879/step, 2.15223 hours remaining, 207.921875 MB of memory in use. ENERGY: 2433400 750.8921 2069.0268 1966.7327 103.6479 -206595.4388 18046.4839 0.0000 0.0000 34364.6756 -149293.9798 300.1153 -183658.6554 -149193.8198 299.3568 27.6778 62.2432 557545.9189 2.0153 1.9125 PRESSURE: 2433600 89.6137 52.7336 -112.188 52.735 -281.488 20.1429 -112.188 20.1426 37.0387 GPRESSURE: 2433600 118.688 77.4058 -117.02 109.079 -246.097 -83.6966 -94.1382 51.1283 61.2517 PRESSAVG: 2433600 -20.3036 31.0108 14.7054 31.0108 -68.2666 -0.177744 14.7054 -0.177765 77.7042 GPRESSAVG: 2433600 -22.136 29.8286 12.696 33.6146 -66.0413 -2.58739 16.044 -1.87749 76.9311 TIMING: 2433600 CPU: 7262.19, 0.00298949/step Wall: 7262.19, 0.00298949/step, 2.13117 hours remaining, 207.921875 MB of memory in use. ENERGY: 2433600 745.6232 2107.4528 1920.3313 107.2328 -206468.5142 17979.7401 0.0000 0.0000 34319.7076 -149288.4263 299.7225 -183608.1339 -149196.3486 299.2806 -51.6118 -22.0525 556745.5637 -3.6220 -3.7487 PRESSURE: 2433800 -114.52 85.8585 -33.6558 85.8583 109.026 -14.0186 -33.6561 -14.0188 195.826 GPRESSURE: 2433800 -116.196 113.252 -40.1261 25.9191 185.483 34.123 -88.6063 12.3512 220.297 PRESSAVG: 2433800 -4.14212 38.1981 -118.109 38.1981 -24.3028 -30.8728 -118.109 -30.873 26.1571 GPRESSAVG: 2433800 -3.29454 39.9342 -117.948 35.259 -25.7205 -28.1303 -122.064 -30.1609 25.8454 TIMING: 2433800 CPU: 7262.79, 0.00298389/step Wall: 7262.79, 0.00298389/step, 2.12702 hours remaining, 207.921875 MB of memory in use. ENERGY: 2433800 666.4139 2031.7454 1961.6811 121.3158 -206277.2380 17902.1505 0.0000 0.0000 34431.0788 -149162.8524 300.6952 -183593.9312 -149068.1097 299.9965 63.4439 96.5282 556355.4106 -0.7626 -1.0566 PRESSURE: 2434000 -61.029 21.8215 -76.7399 21.8224 -32.9023 39.7122 -76.7403 39.7148 -44.1289 GPRESSURE: 2434000 -67.8104 0.385741 -31.6579 9.11821 -44.9808 -8.97241 -86.1015 82.4577 75.6304 PRESSAVG: 2434000 -33.3037 -7.58306 -36.8785 -7.58306 3.88103 22.4029 -36.8784 22.4029 10.4121 GPRESSAVG: 2434000 -33.3346 -8.2329 -36.8051 -7.39901 3.77712 20.8479 -36.0037 23.4932 11.0884 TIMING: 2434000 CPU: 7263.38, 0.00296084/step Wall: 7263.38, 0.00296084/step, 2.11042 hours remaining, 207.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2434000 776.5570 2054.4001 1945.2552 109.3647 -206277.1584 17863.9599 0.0000 0.0000 34280.4894 -149247.1320 299.3800 -183527.6215 -149154.9320 299.6251 -46.0201 -12.3869 556256.1436 -6.3369 -6.1564 PRESSURE: 2434200 36.7876 -20.5471 56.8774 -20.5471 -61.204 -148.769 56.8766 -148.77 -165.235 GPRESSURE: 2434200 101.526 83.8645 75.601 -8.75723 -30.9471 -176.462 132.928 -191.52 -168.041 PRESSAVG: 2434200 -45.9521 -6.15014 -12.2229 -6.15012 34.747 -27.4544 -12.223 -27.4543 14.8059 GPRESSAVG: 2434200 -46.6899 -3.84849 -11.8944 -5.05918 35.4704 -27.7079 -9.89983 -27.5623 14.8499 TIMING: 2434200 CPU: 7263.98, 0.00299744/step Wall: 7263.98, 0.00299744/step, 2.13634 hours remaining, 207.921875 MB of memory in use. ENERGY: 2434200 754.2310 2053.2353 1936.6478 114.5672 -205728.4583 17568.4254 0.0000 0.0000 34247.1262 -149054.2254 299.0887 -183301.3516 -148952.9288 299.0411 -63.2170 -32.4874 556610.2773 1.2003 1.2101 PRESSURE: 2434400 -138.308 -15.8621 117.291 -15.8626 -8.77934 -87.1319 117.291 -87.1311 130.804 GPRESSURE: 2434400 -76.8398 43.5177 33.3525 -4.38738 14.2096 -134.96 136.627 -99.5808 137.715 PRESSAVG: 2434400 -56.5077 25.2905 1.80572 25.2906 21.2091 -31.2661 1.80572 -31.2661 -0.306285 GPRESSAVG: 2434400 -55.3082 23.1834 2.58195 25.1893 19.8685 -30.9871 0.0540052 -29.4204 0.179039 TIMING: 2434400 CPU: 7264.58, 0.00299823/step Wall: 7264.58, 0.00299823/step, 2.13674 hours remaining, 207.921875 MB of memory in use. ENERGY: 2434400 740.5044 2109.1720 1926.0327 109.8388 -206345.6318 17866.9000 0.0000 0.0000 34443.5018 -149149.6820 300.8037 -183593.1838 -149058.3213 299.2150 -5.4276 25.0283 556671.3366 -11.8683 -11.7536 PRESSURE: 2434600 -16.0013 136.531 -69.4521 136.531 -188.882 188.034 -69.451 188.033 -80.2517 GPRESSURE: 2434600 17.4621 112.677 -78.7969 167.582 -194.821 117.456 -82.7884 210.701 -6.58864 PRESSAVG: 2434600 -49.0327 -10.276 -16.9994 -10.2759 32.0856 10.7844 -16.9994 10.7845 24.4465 GPRESSAVG: 2434600 -49.4539 -9.86842 -19.1227 -11.3239 31.8747 9.77658 -16.3229 9.37037 24.6648 TIMING: 2434600 CPU: 7265.18, 0.00297286/step Wall: 7265.18, 0.00297286/step, 2.1185 hours remaining, 207.921875 MB of memory in use. ENERGY: 2434600 752.6238 2044.6527 1948.1519 113.4851 -205753.4220 17693.0698 0.0000 0.0000 34170.6539 -149030.7847 298.4208 -183201.4387 -148930.9720 299.5859 -95.0451 -61.3158 559508.3805 2.4998 2.3619 PRESSURE: 2434800 -38.6051 3.91609 43.8746 3.91446 -53.1932 -0.745005 43.8744 -0.745852 32.3288 GPRESSURE: 2434800 22.7867 -12.5263 -9.44275 57.6628 -56.7654 75.5273 2.0197 37.0072 64.2455 PRESSAVG: 2434800 -78.2037 53.4246 -27.7286 53.4247 -26.7206 58.2016 -27.7285 58.2016 80.64 GPRESSAVG: 2434800 -78.1084 52.8913 -25.864 53.0729 -26.7364 59.0747 -27.4298 58.5256 80.0343 TIMING: 2434800 CPU: 7265.77, 0.00297819/step Wall: 7265.77, 0.00297819/step, 2.12212 hours remaining, 207.921875 MB of memory in use. ENERGY: 2434800 739.1707 2049.4414 1966.5255 105.8222 -206013.0515 17802.2485 0.0000 0.0000 34150.7913 -149199.0518 298.2474 -183349.8431 -149106.4487 299.0451 -19.8231 10.0889 558080.8851 -8.0948 -8.2702 PRESSURE: 2435000 73.8165 -70.361 8.80324 -70.3606 192.961 12.0516 8.80419 12.053 225.1 GPRESSURE: 2435000 120.525 -97.5056 9.39262 -84.5205 227.148 -91.557 -77.9565 43.2582 242.26 PRESSAVG: 2435000 3.57684 -14.5767 -37.577 -14.5767 -30.5426 41.1738 -37.5771 41.1738 40.2981 GPRESSAVG: 2435000 2.03364 -13.0504 -37.8091 -14.8309 -28.9414 41.2391 -39.2345 40.3781 40.6958 TIMING: 2435000 CPU: 7266.36, 0.00296928/step Wall: 7266.36, 0.00296928/step, 2.11562 hours remaining, 207.921875 MB of memory in use. ENERGY: 2435000 739.7923 2073.7487 1948.1233 109.1692 -206292.8161 17991.3283 0.0000 0.0000 34157.6008 -149273.0536 298.3068 -183430.6544 -149178.0928 298.4708 163.9591 196.6443 557094.6663 4.4441 4.5960 PRESSURE: 2435200 224.827 51.8839 72.5984 51.8837 79.5404 165.446 72.599 165.448 35.6361 GPRESSURE: 2435200 264.268 -23.1857 104.473 8.77835 103.074 130.93 29.5715 134.448 62.3264 PRESSAVG: 2435200 10.0514 -1.55288 -9.44907 -1.55285 27.2406 46.8672 -9.44896 46.8671 -24.9685 GPRESSAVG: 2435200 11.3267 -0.938291 -9.26085 -1.41334 24.7899 46.7774 -9.19522 48.086 -24.4502 TIMING: 2435200 CPU: 7266.96, 0.00295351/step Wall: 7266.96, 0.00295351/step, 2.10421 hours remaining, 207.921875 MB of memory in use. ENERGY: 2435200 761.4699 2157.7338 1919.9710 125.2258 -206766.1243 18169.1235 0.0000 0.0000 34364.4141 -149268.1862 300.1130 -183632.6003 -149174.5705 299.4654 113.3345 143.2230 556265.8098 4.1078 3.8888 PRESSURE: 2435400 5.92316 33.7688 -220.909 33.7685 -278.071 -8.71595 -220.91 -8.71418 127.841 GPRESSURE: 2435400 16.3063 63.4721 -224.644 58.3607 -262.743 87.1392 -186.528 -71.8208 195.711 PRESSAVG: 2435400 22.7256 -51.7378 -21.4429 -51.7378 0.641085 8.24241 -21.443 8.2425 22.4682 GPRESSAVG: 2435400 22.3768 -54.2702 -21.7263 -48.2765 2.1717 9.1586 -18.6898 7.22826 21.4196 TIMING: 2435400 CPU: 7267.55, 0.00295004/step Wall: 7267.55, 0.00295004/step, 2.10157 hours remaining, 207.992188 MB of memory in use. ENERGY: 2435400 749.4016 2059.4433 1953.6189 106.5571 -206649.0054 18078.7605 0.0000 0.0000 34289.7093 -149411.5147 299.4606 -183701.2240 -149318.1593 299.1199 -48.1021 -16.9088 558026.6931 15.2783 15.3227 PRESSURE: 2435600 -106.438 -98.8203 -11.0701 -98.8203 69.5304 15.4091 -11.07 15.4093 -223.932 GPRESSURE: 2435600 -33.0683 -148.474 28.3067 -82.0472 47.1966 21.3603 -20.7813 -6.596 -184.702 PRESSAVG: 2435600 12.0449 -11.9205 -30.1389 -11.9204 -51.2643 -6.38859 -30.1388 -6.38846 23.4515 GPRESSAVG: 2435600 10.5142 -10.7174 -30.3706 -12.9163 -51.088 -6.728 -32.4064 -6.8795 24.7728 TIMING: 2435600 CPU: 7268.14, 0.00295621/step Wall: 7268.14, 0.00295621/step, 2.10581 hours remaining, 207.992188 MB of memory in use. ENERGY: 2435600 772.1579 2049.1527 1948.0874 104.1128 -206103.3647 17847.7881 0.0000 0.0000 34055.3005 -149326.7651 297.4134 -183382.0657 -149234.2200 298.7306 -86.9467 -56.8578 558464.8525 -5.2560 -5.2670 PRESSURE: 2435800 -154.242 -30.0626 46.4352 -30.0626 -269.955 98.9472 46.4328 98.9478 -95.7348 GPRESSURE: 2435800 -108.388 -47.0154 -4.57296 -41.2011 -259.792 68.9451 22.1155 184.691 -51.4641 PRESSAVG: 2435800 12.0309 -18.3623 -20.9908 -18.3623 -6.48796 -8.72571 -20.9909 -8.72581 22.845 GPRESSAVG: 2435800 14.7042 -19.0001 -20.9709 -18.8077 -6.8455 -10.1572 -21.1248 -6.84582 21.3345 TIMING: 2435800 CPU: 7268.73, 0.0029512/step Wall: 7268.73, 0.0029512/step, 2.10207 hours remaining, 207.992188 MB of memory in use. ENERGY: 2435800 766.8294 2054.7590 1948.4278 115.0431 -205999.8215 17706.2991 0.0000 0.0000 34071.6531 -149336.8099 297.5562 -183408.4630 -149245.8109 298.8833 -173.3106 -139.8813 559555.0104 9.4626 9.7310 PRESSURE: 2436000 -54.7093 -62.2036 40.2082 -62.2024 -200.654 -40.75 40.206 -40.7493 -211.199 GPRESSURE: 2436000 -57.1515 -34.7047 40.9689 -78.6703 -141.8 -90.1806 -27.6316 -140.069 -162.517 PRESSAVG: 2436000 26.9439 -48.5958 -8.01077 -48.5958 -2.10356 -7.19725 -8.01075 -7.19741 -8.41428 GPRESSAVG: 2436000 25.7712 -47.076 -8.13385 -49.8306 -1.35689 -4.45956 -8.29702 -8.14032 -7.54857 TIMING: 2436000 CPU: 7269.32, 0.00295037/step Wall: 7269.32, 0.00295037/step, 2.10132 hours remaining, 207.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2436000 780.9828 2110.0815 1952.0756 114.9659 -206349.4693 17829.4358 0.0000 0.0000 34205.3155 -149356.6123 298.7235 -183561.9278 -149266.2962 298.8793 -155.5208 -120.4895 558333.8703 5.4754 5.6219 PRESSURE: 2436200 86.6506 69.1021 -198.317 69.1042 -22.3773 -94.9286 -198.317 -94.9265 100.942 GPRESSURE: 2436200 72.6003 56.4709 -237.608 -2.03907 34.7096 -129.071 -70.0124 -102.804 149.451 PRESSAVG: 2436200 25.4074 -15.9483 -7.63752 -15.9482 -44.2775 -51.8565 -7.63754 -51.8565 29.1054 GPRESSAVG: 2436200 26.9429 -16.1508 -7.54178 -16.2083 -44.791 -52.8808 -5.81815 -53.5269 28.2624 TIMING: 2436200 CPU: 7269.91, 0.00297469/step Wall: 7269.91, 0.00297469/step, 2.11847 hours remaining, 207.992188 MB of memory in use. ENERGY: 2436200 744.0179 2115.3490 1944.0006 108.1491 -206566.8617 18086.7918 0.0000 0.0000 34263.2997 -149305.2536 299.2299 -183568.5533 -149211.0507 298.7622 55.0717 85.5871 556507.0779 3.4118 3.4714 LDB: ============= START OF LOAD BALANCING ============== 7273.46 LDB: ============== END OF LOAD BALANCING =============== 7273.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7273.46 LDB: ============= START OF LOAD BALANCING ============== 7273.77 LDB: Largest compute 4773 load 0.026958 is 22.8% of average load 0.118206 LDB: Average compute 0.001744 is 1.5% of average load 0.118206 LDB: TIME 7273.77 LOAD: AVG 0.118206 MAX 0.206431 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.438 MB LDB: TIME 7273.77 LOAD: AVG 0.118206 MAX 0.206431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: TIME 7273.77 LOAD: AVG 0.118206 MAX 0.206431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: ============== END OF LOAD BALANCING =============== 7273.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7273.77 PRESSURE: 2436400 21.3533 -159.92 -128.454 -159.921 -24.2825 -2.92959 -128.455 -2.92921 55.7937 GPRESSURE: 2436400 94.186 -129.46 -79.6726 -188.374 -27.9616 -5.91435 -108.014 -30.1953 81.0263 PRESSAVG: 2436400 -9.56033 -46.7411 -25.5791 -46.7412 -50.3323 51.1047 -25.579 51.1047 8.0017 GPRESSAVG: 2436400 -11.4565 -45.7732 -24.0042 -45.9878 -50.6968 48.7896 -27.1857 50.8782 10.1017 TIMING: 2436400 CPU: 7270.52, 0.00306178/step Wall: 7270.52, 0.00306178/step, 2.18033 hours remaining, 208.246094 MB of memory in use. ENERGY: 2436400 730.9411 2097.6650 1973.5302 118.4396 -206146.9764 17716.9478 0.0000 0.0000 34122.2693 -149387.1834 297.9983 -183509.4527 -149288.8359 299.6305 17.6215 49.0835 557762.9084 -17.2970 -17.3505 PRESSURE: 2436600 75.9782 81.9458 -81.9042 81.9457 123.209 -155.173 -81.9035 -155.174 219.726 GPRESSURE: 2436600 102.99 -8.66345 -139.658 57.6554 128.194 -83.5719 24.5801 -112.312 280.421 PRESSAVG: 2436600 35.0269 7.36621 -32.82 7.36622 -49.0396 -34.0995 -32.8199 -34.0995 44.4398 GPRESSAVG: 2436600 35.9081 7.31761 -33.5886 7.54384 -49.1145 -31.4051 -31.8486 -34.2743 43.1659 TIMING: 2436600 CPU: 7271.11, 0.00294045/step Wall: 7271.11, 0.00294045/step, 2.09377 hours remaining, 208.445312 MB of memory in use. ENERGY: 2436600 757.5801 2101.5691 1956.4400 106.8351 -206744.8452 18159.5517 0.0000 0.0000 34219.6670 -149443.2021 298.8489 -183662.8691 -149345.2814 298.7079 139.6377 170.5351 556146.1476 10.1424 9.9865 PRESSURE: 2436800 -235.658 -35.2904 -47.054 -35.2912 -12.8954 106.642 -47.0526 106.641 -165.801 GPRESSURE: 2436800 -223.186 -16.8946 -100.828 -13.3846 35.4508 121.533 -17.6163 93.7524 -122.747 PRESSAVG: 2436800 -53.2855 -1.5065 -28.1947 -1.5065 4.20219 -7.1371 -28.1947 -7.13699 73.4885 GPRESSAVG: 2436800 -53.9383 -1.45373 -28.5935 -3.38928 5.25451 -6.81789 -28.7771 -3.65448 73.3533 TIMING: 2436800 CPU: 7271.7, 0.00294596/step Wall: 7271.7, 0.00294596/step, 2.09752 hours remaining, 208.445312 MB of memory in use. ENERGY: 2436800 705.8505 2097.6395 1978.8948 113.7126 -205919.2822 17495.4081 0.0000 0.0000 34133.4624 -149394.3144 298.0960 -183527.7768 -149298.5276 298.7130 -138.1181 -103.4941 556845.6463 8.1351 8.2232 PRESSURE: 2437000 -2.70422 68.5334 20.0421 68.5334 -146.579 -112.286 20.042 -112.285 -7.4963 GPRESSURE: 2437000 -0.286573 100.767 -15.7206 68.5024 -75.8239 -82.7589 -25.7339 -83.8255 21.4694 PRESSAVG: 2437000 37.252 0.974673 -40.8982 0.974648 -18.3307 2.7697 -40.8983 2.76967 14.3736 GPRESSAVG: 2437000 37.8525 0.0122421 -42.383 1.84294 -18.8974 2.6137 -40.1032 1.16718 14.5874 TIMING: 2437000 CPU: 7272.3, 0.00296918/step Wall: 7272.3, 0.00296918/step, 2.11389 hours remaining, 208.445312 MB of memory in use. ENERGY: 2437000 744.3496 2098.8560 1928.6011 114.8132 -206657.6128 18051.0413 0.0000 0.0000 34178.8651 -149541.0866 298.4925 -183719.9517 -149447.2508 298.5211 -52.2599 -18.2137 558507.6463 11.0983 11.1809 PRESSURE: 2437200 -90.0118 70.8035 -76.7721 70.804 -210.379 70.2783 -76.772 70.2792 153.299 GPRESSURE: 2437200 1.94866 108.02 -76.1023 8.86704 -187.418 67.0307 -64.4535 49.7288 135.236 PRESSAVG: 2437200 44.4429 -45.0591 -33.6882 -45.0591 -48.746 33.8439 -33.6883 33.8438 40.0096 GPRESSAVG: 2437200 43.0077 -45.9348 -31.4885 -42.832 -47.1314 33.0517 -34.6359 33.8688 39.9562 TIMING: 2437200 CPU: 7272.89, 0.00295715/step Wall: 7272.89, 0.00295715/step, 2.10516 hours remaining, 208.445312 MB of memory in use. ENERGY: 2437200 725.8980 2177.1043 1937.7126 114.9019 -206650.2144 17891.5065 0.0000 0.0000 34216.6150 -149586.4759 298.8222 -183803.0909 -149487.4070 298.1349 -49.0304 -16.7443 558222.5814 11.9022 11.9441 PRESSURE: 2437400 51.0288 -101.815 -236.53 -101.815 -93.4128 -8.32397 -236.531 -8.32589 92.0414 GPRESSURE: 2437400 73.1024 -137.512 -333.304 -56.5853 -16.6145 -46.8004 -176.275 75.2433 93.8348 PRESSAVG: 2437400 9.86884 -50.8452 13.4181 -50.8453 -1.69901 -17.6078 13.4182 -17.6078 30.4406 GPRESSAVG: 2437400 10.4745 -50.1598 12.759 -51.2298 -2.55454 -16.6297 14.3678 -16.9439 30.6538 TIMING: 2437400 CPU: 7273.47, 0.00293505/step Wall: 7273.47, 0.00293505/step, 2.08927 hours remaining, 208.445312 MB of memory in use. ENERGY: 2437400 744.5709 2078.5271 1938.7268 128.5051 -206823.2948 18085.0317 0.0000 0.0000 34102.5490 -149745.3841 297.8260 -183847.9331 -149653.2301 298.5099 16.5525 50.1076 558268.7904 12.8701 12.8579 PRESSURE: 2437600 147.294 -36.4977 -54.8271 -36.4986 32.9415 191.322 -54.8269 191.322 -52.3479 GPRESSURE: 2437600 137.485 -19.418 30.3148 -26.7809 47.3673 140.689 -13.2531 213.535 23.378 PRESSAVG: 2437600 44.042 6.82719 7.76301 6.82719 -63.1987 24.9162 7.76302 24.9161 29.4083 GPRESSAVG: 2437600 43.2969 8.50716 8.38078 6.85973 -62.9435 26.3832 7.42876 23.5393 29.8884 TIMING: 2437600 CPU: 7274.06, 0.00294914/step Wall: 7274.06, 0.00294914/step, 2.09914 hours remaining, 208.445312 MB of memory in use. ENERGY: 2437600 716.6736 2059.2331 1917.8150 115.1930 -206510.9105 18000.7902 0.0000 0.0000 33938.8406 -149762.3651 296.3963 -183701.2057 -149669.4093 297.4366 42.6292 69.4101 556745.3311 3.4172 3.4139 PRESSURE: 2437800 -0.222944 -66.9358 33.3116 -66.9344 -105.644 106.354 33.3097 106.353 -115.067 GPRESSURE: 2437800 28.6797 -68.1779 -39.361 -76.3814 -81.5004 102.107 96.6568 201.97 -91.6017 PRESSAVG: 2437800 -1.16399 -34.0314 8.72119 -34.0315 -26.5839 20.6881 8.72113 20.688 42.6674 GPRESSAVG: 2437800 -0.29426 -35.0325 8.9336 -34.8199 -26.1547 19.0222 8.99048 23.4748 41.4954 TIMING: 2437800 CPU: 7274.66, 0.00296673/step Wall: 7274.66, 0.00296673/step, 2.11148 hours remaining, 208.445312 MB of memory in use. ENERGY: 2437800 760.0425 2029.6795 1924.0116 119.3783 -206327.1127 17823.9975 0.0000 0.0000 34241.0455 -149428.9578 299.0356 -183670.0033 -149330.2452 297.6474 -73.6444 -48.1408 557471.7217 4.9732 5.0155 PRESSURE: 2438000 51.968 117.317 119.259 117.318 -221.469 90.4332 119.259 90.4337 -219.851 GPRESSURE: 2438000 120.084 147.194 180.678 169.69 -190.894 103.659 10.9946 130.014 -228.428 PRESSAVG: 2438000 -21.9365 21.7133 28.684 21.7134 -61.0368 22.6287 28.684 22.6287 46.6973 GPRESSAVG: 2438000 -21.7217 24.1652 29.7633 20.326 -62.3963 20.5123 28.7527 22.871 47.4586 TIMING: 2438000 CPU: 7275.25, 0.00297341/step Wall: 7275.25, 0.00297341/step, 2.11608 hours remaining, 208.707031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2438000 748.5404 2070.8718 1929.5936 108.7739 -205871.6945 17519.6033 0.0000 0.0000 34233.6186 -149260.6929 298.9707 -183494.3116 -149165.3565 298.4615 -129.7841 -99.7462 557581.4113 -12.0920 -12.2198 PRESSURE: 2438200 -78.6046 43.0983 9.55669 43.0984 197.114 46.3825 9.55708 46.382 -41.0379 GPRESSURE: 2438200 -21.2617 0.138111 75.661 19.2535 202.268 7.46343 -4.22136 140.53 -14.5117 PRESSAVG: 2438200 -50.7889 7.26922 -11.1116 7.2692 33.1896 62.228 -11.1116 62.228 -19.2265 GPRESSAVG: 2438200 -50.7361 6.63315 -10.7814 4.75122 33.5858 62.5595 -12.3949 62.4733 -19.8098 TIMING: 2438200 CPU: 7275.84, 0.00296463/step Wall: 7275.84, 0.00296463/step, 2.10966 hours remaining, 208.707031 MB of memory in use. ENERGY: 2438200 763.9251 2082.8392 1944.3168 114.3717 -206215.8194 17958.7356 0.0000 0.0000 34233.2422 -149118.3889 298.9674 -183351.6310 -149019.4867 298.8154 25.8238 55.4982 556736.4696 -12.2752 -12.3200 PRESSURE: 2438400 -23.3132 -16.8525 -12.3809 -16.8529 -203.089 142.298 -12.382 142.299 266.871 GPRESSURE: 2438400 40.9505 -68.9608 70.8092 31.1743 -149.437 99.075 -151.112 102.704 243.381 PRESSAVG: 2438400 0.489079 -6.39663 -13.4025 -6.39667 1.35867 6.70616 -13.4025 6.70629 4.62351 GPRESSAVG: 2438400 0.983386 -9.11551 -13.2063 -1.84407 1.1672 6.98746 -12.9393 6.8085 3.91644 TIMING: 2438400 CPU: 7276.44, 0.00296232/step Wall: 7276.44, 0.00296232/step, 2.10785 hours remaining, 208.707031 MB of memory in use. ENERGY: 2438400 747.8423 2070.6820 1913.5703 105.2299 -205977.4534 17759.7748 0.0000 0.0000 34325.3536 -149055.0004 299.7719 -183380.3541 -148965.1640 298.8435 13.4896 44.9650 559305.0226 2.1571 2.0223 PRESSURE: 2438600 -109.948 42.1397 9.77193 42.14 -40.9313 23.6468 9.77235 23.6461 -73.4563 GPRESSURE: 2438600 -34.9742 -26.8627 34.1151 48.0749 -12.7279 104.684 -14.7407 -42.1272 -64.2561 PRESSAVG: 2438600 -2.85507 -25.9799 -21.993 -25.9799 -17.6456 37.7889 -21.9929 37.7889 -3.99527 GPRESSAVG: 2438600 -4.13121 -24.8881 -23.1055 -26.2515 -16.6613 41.8345 -22.3799 36.6614 -3.6772 TIMING: 2438600 CPU: 7277.03, 0.00294457/step Wall: 7277.03, 0.00294457/step, 2.09506 hours remaining, 208.707031 MB of memory in use. ENERGY: 2438600 749.3512 2140.9184 1935.1931 100.1329 -205935.2466 17645.8059 0.0000 0.0000 34419.0682 -148944.7770 300.5903 -183363.8451 -148853.1776 299.8953 -74.7787 -37.3194 557595.7144 -8.1653 -8.1566 PRESSURE: 2438800 353.802 12.3734 16.8069 12.3729 53.6387 -51.8612 16.8071 -51.8619 80.6694 GPRESSURE: 2438800 418.329 37.0217 49.981 62.5043 28.5732 19.6573 26.923 -66.778 136.366 PRESSAVG: 2438800 2.2188 -3.42877 -26.9689 -3.42856 25.6557 41.0866 -26.9689 41.0865 -25.2077 GPRESSAVG: 2438800 1.84941 -3.63886 -27.3403 -3.41001 25.5478 38.9905 -25.8136 42.6521 -24.4473 TIMING: 2438800 CPU: 7277.62, 0.00298675/step Wall: 7277.62, 0.00298675/step, 2.12491 hours remaining, 208.707031 MB of memory in use. ENERGY: 2438800 732.2590 2065.3047 1902.7261 111.4252 -206247.2487 18096.7467 0.0000 0.0000 34389.7776 -148949.0093 300.3345 -183338.7869 -148857.3825 300.3798 162.7034 194.4229 556883.3379 0.8889 0.9833 PRESSURE: 2439000 26.1117 11.2022 55.2439 11.2033 125.644 -57.9202 55.2448 -57.9216 -72.2605 GPRESSURE: 2439000 21.5832 86.6608 59.9114 19.6452 195.66 -23.7981 -29.9749 -29.5558 -39.619 PRESSAVG: 2439000 7.17249 25.5804 23.4638 25.5804 -24.2434 -48.2553 23.4638 -48.2553 17.99 GPRESSAVG: 2439000 8.7805 27.0756 24.0714 22.8438 -24.7552 -50.4978 21.4786 -48.0498 17.9988 TIMING: 2439000 CPU: 7278.22, 0.00297455/step Wall: 7278.22, 0.00297455/step, 2.11607 hours remaining, 208.839844 MB of memory in use. ENERGY: 2439000 745.3385 2082.4497 1932.8549 108.3077 -206189.0446 17765.7278 0.0000 0.0000 34412.0504 -149142.3156 300.5290 -183554.3660 -149049.9791 300.1036 26.4985 59.2079 556566.7748 0.3064 0.6747 PRESSURE: 2439200 -103.142 -25.8779 -131.6 -25.8791 -102.775 -101.953 -131.599 -101.951 -91.309 GPRESSURE: 2439200 -94.6845 28.3379 -94.8174 -42.9336 -102.348 -160.546 -63.251 -85.3444 -4.98779 PRESSAVG: 2439200 -57.3779 42.925 -1.85496 42.925 26.5328 -30.2289 -1.8551 -30.229 34.6595 GPRESSAVG: 2439200 -58.5768 41.7848 -3.02408 44.4196 27.1659 -28.4911 -0.837969 -33.9201 34.6183 TIMING: 2439200 CPU: 7278.81, 0.0029632/step Wall: 7278.81, 0.0029632/step, 2.10782 hours remaining, 208.839844 MB of memory in use. ENERGY: 2439200 743.8998 2106.4291 1949.1196 114.0547 -205965.0558 17619.4982 0.0000 0.0000 34427.5397 -149004.5147 300.6643 -183432.0544 -148910.0578 300.4279 -99.0755 -67.3401 558095.7202 1.2715 1.0691 PRESSURE: 2439400 -382.513 -48.5808 79.2262 -48.5804 -164.015 -2.22797 79.2259 -2.22935 -97.5689 GPRESSURE: 2439400 -270.902 12.3363 -3.85861 -140.211 -157.84 11.832 127.217 38.4716 -113.025 PRESSAVG: 2439400 -21.4799 0.272975 1.61852 0.272985 4.85148 -3.14455 1.61861 -3.14465 56.2957 GPRESSAVG: 2439400 -21.5 1.36666 1.96605 -0.907997 5.11864 -3.65886 2.80461 -1.14751 55.9641 TIMING: 2439400 CPU: 7279.41, 0.00299452/step Wall: 7279.41, 0.00299452/step, 2.12993 hours remaining, 208.839844 MB of memory in use. ENERGY: 2439400 729.4088 2089.5609 1942.1713 113.3381 -205839.8845 17529.8149 0.0000 0.0000 34503.2541 -148932.3364 301.3255 -183435.5905 -148835.9081 299.9390 -214.6990 -180.5889 558974.5121 13.2224 13.1942 PRESSURE: 2439600 -116.75 -11.2355 39.9366 -11.2349 55.7147 -161.858 39.9371 -161.859 -1.4066 GPRESSURE: 2439600 -105.541 -11.447 28.4253 -21.4831 86.7053 -116.307 76.4227 -150.872 52.0069 PRESSAVG: 2439600 -71.6772 -13.8025 52.7946 -13.8024 27.2014 65.4463 52.7947 65.4464 11.3488 GPRESSAVG: 2439600 -71.6646 -15.8598 51.2749 -12.3609 25.6606 64.2871 53.8011 67.7471 12.5066 TIMING: 2439600 CPU: 7280.01, 0.00298333/step Wall: 7280.01, 0.00298333/step, 2.12181 hours remaining, 208.839844 MB of memory in use. ENERGY: 2439600 744.0976 2076.0957 1931.2988 123.8636 -205798.8011 17808.0203 0.0000 0.0000 34125.0009 -148990.4241 298.0221 -183115.4250 -148890.6685 300.1522 -20.8140 11.0572 558402.9139 -11.0423 -11.1658 PRESSURE: 2439800 -134.812 51.4875 -7.58708 51.4877 -135.352 -14.9797 -7.58669 -14.9794 94.9536 GPRESSURE: 2439800 -70.4685 21.8863 -15.2138 109.316 -125.229 -22.1447 -80.6509 18.7866 118.259 PRESSAVG: 2439800 -15.4058 -54.9169 53.3828 -54.9169 -13.7569 16.6382 53.3829 16.6381 20.9293 GPRESSAVG: 2439800 -14.6027 -54.3316 54.8679 -54.3943 -13.3557 17.2103 51.3076 13.5261 20.8197 TIMING: 2439800 CPU: 7280.6, 0.00297354/step Wall: 7280.6, 0.00297354/step, 2.11468 hours remaining, 208.839844 MB of memory in use. ENERGY: 2439800 745.3936 2065.2024 1923.5013 112.6918 -206216.0874 17966.2113 0.0000 0.0000 34372.5160 -149030.5710 300.1837 -183403.0870 -148930.8502 300.1994 -58.4033 -25.8128 557067.0908 -2.7445 -2.3796 PRESSURE: 2440000 -47.4945 -75.5528 7.40813 -75.5532 -184.434 -86.6916 7.40761 -86.6902 -131.86 GPRESSURE: 2440000 -15.7811 -64.4931 33.5803 0.520527 -119.376 -39.4022 -50.7616 32.5109 -117.852 PRESSAVG: 2440000 27.652 28.2041 -24.8547 28.204 -17.5118 41.0133 -24.8546 41.0133 62.8428 GPRESSAVG: 2440000 27.7004 28.6087 -24.5339 28.4614 -16.6365 42.5187 -24.4485 41.3387 62.5227 TIMING: 2440000 CPU: 7281.19, 0.00293986/step Wall: 7281.19, 0.00293986/step, 2.09056 hours remaining, 208.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2440000 743.9213 2047.0195 1945.8957 115.5753 -205521.5421 17561.9164 0.0000 0.0000 34009.1711 -149098.0428 297.0105 -183107.2139 -148998.2314 299.9653 -121.2630 -84.3360 558150.4027 24.3277 24.5288 PRESSURE: 2440200 -189.103 -3.59577 25.5828 -3.59487 -2.65759 -118.212 25.583 -118.21 -291.538 GPRESSURE: 2440200 -133.794 42.9611 -79.2776 74.0837 14.6861 -117.985 168.936 -142.057 -263.213 PRESSAVG: 2440200 11.7389 -17.5366 -9.86677 -17.5367 -1.69609 -36.7713 -9.86678 -36.7712 25.5523 GPRESSAVG: 2440200 11.4211 -19.3224 -10.1823 -17.1039 -2.86234 -37.1586 -8.72646 -38.3982 26.2831 TIMING: 2440200 CPU: 7281.78, 0.00297248/step Wall: 7281.78, 0.00297248/step, 2.1136 hours remaining, 208.839844 MB of memory in use. ENERGY: 2440200 732.8115 2085.6836 1965.4678 114.0122 -205910.6229 17503.6913 0.0000 0.0000 34369.8282 -149139.1284 300.1603 -183508.9565 -149044.5441 299.5644 -161.0995 -127.4402 558291.2265 11.8651 11.6140 LDB: ============= START OF LOAD BALANCING ============== 7285.33 LDB: ============== END OF LOAD BALANCING =============== 7285.33 LDB: =============== DONE WITH MIGRATION ================ 7285.33 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 7285.64 LDB: Largest compute 4773 load 0.025490 is 21.6% of average load 0.118247 LDB: Average compute 0.001727 is 1.5% of average load 0.118247 LDB: TIME 7285.64 LOAD: AVG 0.118247 MAX 0.204892 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.547 MB LDB: TIME 7285.64 LOAD: AVG 0.118247 MAX 0.204892 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.547 MB LDB: TIME 7285.64 LOAD: AVG 0.118247 MAX 0.204892 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.547 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7285.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7285.65 PRESSURE: 2440400 183.169 0.964962 122.932 0.966023 140.999 -74.9254 122.932 -74.9271 46.761 GPRESSURE: 2440400 239.152 28.2944 104.094 -27.4451 234.216 6.36164 93.3476 -87.998 -5.89973 PRESSAVG: 2440400 -15.8986 -20.1192 49.8659 -20.1192 -7.66312 -37.4441 49.866 -37.4441 7.73884 GPRESSAVG: 2440400 -15.6945 -19.4074 48.7366 -21.9384 -7.88738 -38.328 49.4816 -36.3327 6.83002 TIMING: 2440400 CPU: 7282.4, 0.00306066/step Wall: 7282.4, 0.00306066/step, 2.17613 hours remaining, 207.089844 MB of memory in use. ENERGY: 2440400 717.1675 2093.8406 1959.7139 122.0163 -206353.1642 18080.3751 0.0000 0.0000 34226.1682 -149153.8825 298.9056 -183380.0508 -149060.8742 300.1737 123.6431 155.8226 556765.3596 -5.2743 -5.5840 PRESSURE: 2440600 -3.94425 -55.1291 -121.337 -55.1284 -54.1398 52.5447 -121.338 52.5447 96.4486 GPRESSURE: 2440600 61.2351 -102.66 -175.096 17.9757 -24.352 25.9327 4.20223 -45.4156 93.5899 PRESSAVG: 2440600 4.19657 24.2015 3.0848 24.2015 19.0482 -22.1452 3.08477 -22.1452 -32.2982 GPRESSAVG: 2440600 4.56596 24.6901 2.29735 25.2188 18.9322 -20.4068 4.56059 -22.0786 -32.6635 TIMING: 2440600 CPU: 7282.99, 0.00298892/step Wall: 7282.99, 0.00298892/step, 2.12496 hours remaining, 207.089844 MB of memory in use. ENERGY: 2440600 774.7780 2137.0556 1917.5330 119.5652 -206160.4809 17880.2815 0.0000 0.0000 34333.8857 -148997.3820 299.8464 -183331.2676 -148903.1123 299.6735 12.7882 43.4910 558093.7084 -3.0178 -3.0551 PRESSURE: 2440800 -145.094 -47.1722 -318.374 -47.1725 115.33 50.4368 -318.374 50.4382 38.2841 GPRESSURE: 2440800 -122.069 -101.122 -178.862 -30.9467 128.496 15.7571 -304.554 81.5765 99.829 PRESSAVG: 2440800 24.8321 -48.8339 -15.7176 -48.8339 -58.5931 13.1078 -15.7174 13.1078 51.3237 GPRESSAVG: 2440800 22.879 -47.1298 -13.9125 -50.5668 -57.943 11.8412 -16.6812 13.6581 52.825 TIMING: 2440800 CPU: 7283.59, 0.00297232/step Wall: 7283.59, 0.00297232/step, 2.11299 hours remaining, 207.089844 MB of memory in use. ENERGY: 2440800 710.7244 2078.4847 1931.2266 123.0644 -206019.8435 17628.8379 0.0000 0.0000 34491.3522 -149056.1533 301.2216 -183547.5054 -148956.3946 300.5756 2.8402 35.4185 556391.8993 5.8542 5.9203 PRESSURE: 2441000 328.872 47.5455 114.011 47.5461 -67.297 122.023 114.012 122.023 -144.391 GPRESSURE: 2441000 374.942 -38.7769 185.966 50.7316 -22.9075 168.913 14.2722 182.941 -133.315 PRESSAVG: 2441000 14.7069 -11.8731 7.15756 -11.8731 -20.659 6.47595 7.1576 6.47578 7.09315 GPRESSAVG: 2441000 15.7494 -13.7052 7.8006 -9.85537 -21.0782 5.01123 5.02896 8.19724 6.4526 TIMING: 2441000 CPU: 7284.18, 0.00297387/step Wall: 7284.18, 0.00297387/step, 2.11393 hours remaining, 207.289062 MB of memory in use. ENERGY: 2441000 719.0330 2150.0370 1921.3864 124.3372 -205873.2899 17778.9791 0.0000 0.0000 34229.1507 -148950.3665 298.9317 -183179.5172 -148853.3032 300.7036 39.0611 72.9066 557002.4362 0.3804 0.3746 PRESSURE: 2441200 -259.116 64.8991 -69.2179 64.9 -54.9053 154.904 -69.2169 154.906 -130.127 GPRESSURE: 2441200 -206.716 14.5425 -63.3196 -10.089 -39.7113 98.4769 -73.7391 118.338 -97.3962 PRESSAVG: 2441200 -54.9289 -0.248369 42.279 -0.248289 -3.34998 9.54499 42.279 9.54488 41.0248 GPRESSAVG: 2441200 -55.3121 -0.367031 40.4027 0.302497 -4.01507 11.1695 42.6857 8.69244 41.9261 TIMING: 2441200 CPU: 7284.78, 0.00296831/step Wall: 7284.78, 0.00296831/step, 2.10981 hours remaining, 207.289062 MB of memory in use. ENERGY: 2441200 717.6274 2083.0338 1911.7074 110.5257 -205702.4193 17436.6806 0.0000 0.0000 34466.0700 -148976.7743 301.0008 -183442.8444 -148882.9785 300.2913 -148.0496 -114.6077 557858.4533 -5.7514 -5.8003 PRESSURE: 2441400 203.214 -34.3152 -0.468469 -34.3152 -142.832 18.8984 -0.469439 18.8971 -290.19 GPRESSURE: 2441400 222.902 -94.8776 48.8717 6.52083 -94.6834 -21.6538 10.5809 57.7544 -263.062 PRESSAVG: 2441400 -21.1641 -7.81563 -56.4074 -7.81561 -17.7105 15.4476 -56.4074 15.4476 13.8334 GPRESSAVG: 2441400 -21.0222 -5.33247 -55.8584 -9.75339 -16.3575 14.466 -55.0006 14.996 12.1045 TIMING: 2441400 CPU: 7285.37, 0.00297985/step Wall: 7285.37, 0.00297985/step, 2.11785 hours remaining, 207.289062 MB of memory in use. ENERGY: 2441400 766.1036 2034.5988 1935.9536 112.6351 -205568.5272 17678.5760 0.0000 0.0000 33768.6528 -149272.0074 294.9100 -183040.6601 -149180.6165 299.2501 -76.6023 -44.9476 557284.6175 -8.3471 -8.4251 PRESSURE: 2441600 207.029 75.41 -58.9126 75.4095 108.962 137.082 -58.9135 137.083 202.957 GPRESSURE: 2441600 239.709 -28.2716 -120.481 149.56 143.546 196.568 -59.473 145.051 223.523 PRESSAVG: 2441600 4.79843 30.9682 -23.9999 30.9683 -18.3729 16.8639 -23.9999 16.864 22.4828 GPRESSAVG: 2441600 3.93866 30.3452 -24.267 30.4573 -19.0671 19.1256 -22.663 17.5034 23.7427 TIMING: 2441600 CPU: 7285.97, 0.00296303/step Wall: 7285.96, 0.00296303/step, 2.10573 hours remaining, 207.289062 MB of memory in use. ENERGY: 2441600 730.9893 2090.1025 1924.3995 116.0228 -206676.1390 18193.6137 0.0000 0.0000 34283.2352 -149337.7760 299.4040 -183621.0112 -149240.2547 298.7087 172.9829 202.2592 556701.8718 2.9695 2.8714 PRESSURE: 2441800 -240.759 52.0302 18.0219 52.0302 -85.0565 94.7456 18.0216 94.748 -36.9332 GPRESSURE: 2441800 -221.456 16.1605 -20.5679 105.017 -66.8591 116.896 38.8289 -12.1904 23.7417 PRESSAVG: 2441800 32.7673 20.4103 16.2678 20.4102 -64.7986 52.623 16.2678 52.6229 20.1949 GPRESSAVG: 2441800 32.7765 19.4659 15.9049 18.6303 -64.1476 51.5425 14.8719 50.7706 20.1047 TIMING: 2441800 CPU: 7286.56, 0.00298713/step Wall: 7286.56, 0.00298713/step, 2.12269 hours remaining, 207.289062 MB of memory in use. ENERGY: 2441800 739.1268 2092.2073 1910.1316 110.5646 -206065.0263 17635.0803 0.0000 0.0000 34120.8968 -149457.0188 297.9863 -183577.9156 -149356.7078 297.8297 -120.9162 -88.1910 558379.9701 -3.9455 -3.7555 PRESSURE: 2442000 -44.1193 -180.002 -32.713 -180.001 -185.958 -68.6142 -32.7115 -68.6152 -89.8773 GPRESSURE: 2442000 18.142 -60.5911 -66.2046 -304.057 -177.903 -49.5208 47.7617 -67.1495 -66.0104 PRESSAVG: 2442000 5.33152 18.2757 6.80085 18.2758 -28.2526 3.7736 6.8009 3.7736 38.0784 GPRESSAVG: 2442000 5.12817 17.2431 7.06839 19.196 -29.4175 4.75433 6.72064 3.94003 39.2783 TIMING: 2442000 CPU: 7287.16, 0.00296661/step Wall: 7287.16, 0.00296661/step, 2.10794 hours remaining, 207.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2442000 779.2342 2136.6838 1909.9851 120.6826 -206210.6727 17682.6324 0.0000 0.0000 34243.3734 -149338.0812 299.0559 -183581.4545 -149242.0427 298.7743 -106.6515 -75.2572 556721.7225 5.0524 4.9963 PRESSURE: 2442200 -159.297 20.5418 55.6049 20.5439 -183.007 120.564 55.605 120.563 60.0881 GPRESSURE: 2442200 -156.566 79.3905 -25.3264 -64.353 -148.332 89.3053 115.566 127.952 118.584 PRESSAVG: 2442200 -98.9399 13.1671 30.2763 13.167 16.8156 12.035 30.2763 12.0348 49.1458 GPRESSAVG: 2442200 -98.161 13.6021 30.6368 14.1163 17.0374 12.3012 31.0859 12.1968 48.1954 TIMING: 2442200 CPU: 7287.75, 0.00296445/step Wall: 7287.75, 0.00296445/step, 2.10624 hours remaining, 207.289062 MB of memory in use. ENERGY: 2442200 782.6234 2088.2300 1940.9556 96.1075 -206284.0342 17665.5856 0.0000 0.0000 34535.5621 -149174.9700 301.6077 -183710.5321 -149086.8592 299.1441 -94.0718 -62.1045 557532.0946 -10.9928 -10.9761 PRESSURE: 2442400 163.978 108.437 69.6587 108.437 95.634 67.4495 69.6582 67.4492 352.86 GPRESSURE: 2442400 185.174 79.02 46.9311 180.214 98.9714 82.8504 186.857 -7.99275 413.811 PRESSAVG: 2442400 -35.3102 -3.7295 8.29394 -3.72952 -53.3425 25.7551 8.29405 25.755 58.5172 GPRESSAVG: 2442400 -35.5633 -4.03824 8.71849 -2.20811 -52.25 25.8186 6.08418 26.717 58.3241 TIMING: 2442400 CPU: 7288.34, 0.00296154/step Wall: 7288.34, 0.00296154/step, 2.10401 hours remaining, 207.289062 MB of memory in use. ENERGY: 2442400 759.7578 2075.8844 1912.3546 107.0629 -206259.1357 17988.3078 0.0000 0.0000 34228.4527 -149187.3155 298.9256 -183415.7681 -149094.9395 299.4326 204.1575 232.6521 557201.1870 -10.0452 -9.8297 PRESSURE: 2442600 -317.906 46.6809 -199.207 46.6806 -191.695 155.97 -199.209 155.968 -147.756 GPRESSURE: 2442600 -294.244 66.6456 -249.374 129.013 -149.79 197.982 -152.357 74.5201 -106.656 PRESSAVG: 2442600 -56.3274 -17.9802 -42.6678 -17.9802 0.514488 10.0617 -42.6678 10.0617 27.1495 GPRESSAVG: 2442600 -55.4026 -16.5598 -44.1277 -17.3315 -1.34122 9.61123 -43.0754 9.38633 28.2387 TIMING: 2442600 CPU: 7288.93, 0.00295251/step Wall: 7288.93, 0.00295251/step, 2.09743 hours remaining, 207.289062 MB of memory in use. ENERGY: 2442600 763.1923 2056.1544 1911.8997 110.2755 -205548.3147 17378.8319 0.0000 0.0000 34126.7029 -149201.2579 298.0370 -183327.9609 -149102.5406 299.6213 -219.1190 -183.5631 559004.0749 -9.5545 -9.5017 PRESSURE: 2442800 165.213 38.1651 -98.3565 38.1644 240.309 -93.4365 -98.3567 -93.435 -118.43 GPRESSURE: 2442800 188.455 -15.2614 -29.2857 29.9188 263.104 -110.807 -55.0704 -73.9846 -67.5841 PRESSAVG: 2442800 -3.52166 -37.6798 -42.7701 -37.6797 34.159 18.6873 -42.77 18.6873 19.261 GPRESSAVG: 2442800 -5.07938 -38.4814 -40.2316 -39.4038 35.2757 18.8173 -42.6507 18.5673 19.4066 TIMING: 2442800 CPU: 7289.52, 0.00295504/step Wall: 7289.52, 0.00295504/step, 2.09906 hours remaining, 207.289062 MB of memory in use. ENERGY: 2442800 772.5346 2120.0713 1937.6805 107.2902 -206425.5661 18015.0299 0.0000 0.0000 34330.3028 -149142.6569 299.8151 -183472.9596 -149045.9157 299.3117 95.6971 127.9916 558904.1449 16.6328 16.5343 PRESSURE: 2443000 -187.954 58.9562 -9.24583 58.956 -225.625 108.195 -9.24685 108.195 210.593 GPRESSURE: 2443000 -88.8797 108.604 -30.3321 -31.5935 -201.295 130.077 26.8239 57.6881 186.175 PRESSAVG: 2443000 48.6066 24.2501 -38.1259 24.2503 -42.7283 13.4011 -38.1259 13.401 -42.0626 GPRESSAVG: 2443000 49.3167 25.3639 -38.287 22.8617 -43.6283 11.7452 -38.0511 15.1142 -41.3919 TIMING: 2443000 CPU: 7290.12, 0.0029649/step Wall: 7290.12, 0.0029649/step, 2.1059 hours remaining, 207.289062 MB of memory in use. ENERGY: 2443000 721.8051 2130.9404 1930.7506 129.1679 -206151.9463 17807.0040 0.0000 0.0000 34347.4158 -149084.8625 299.9645 -183432.2784 -148992.5933 299.5612 -67.6619 -34.6666 560045.1302 -12.0614 -11.9012 PRESSURE: 2443200 -9.15176 -58.5467 -66.7116 -58.5471 72.8681 39.662 -66.7136 39.6606 -35.1415 GPRESSURE: 2443200 -3.66139 -48.676 -81.231 -14.2703 63.2168 -5.77215 -104.966 -50.9566 61.7284 PRESSAVG: 2443200 -53.8905 9.25388 -43.4791 9.25384 3.58304 6.30343 -43.479 6.30347 35.7787 GPRESSAVG: 2443200 -54.4237 7.41963 -43.7598 10.5911 4.95183 6.51919 -41.3197 6.11821 35.166 TIMING: 2443200 CPU: 7290.71, 0.00295236/step Wall: 7290.71, 0.00295236/step, 2.09683 hours remaining, 207.289062 MB of memory in use. ENERGY: 2443200 768.5264 2101.8501 1944.6868 114.9387 -206655.5044 18045.6880 0.0000 0.0000 34527.0246 -149152.7899 301.5331 -183679.8145 -149061.4401 300.2716 9.5249 40.4280 558322.2972 -4.8429 -4.7686 PRESSURE: 2443400 -104.957 21.6968 -22.3835 21.696 -155.518 161.698 -22.3834 161.697 323.729 GPRESSURE: 2443400 -151.138 -7.93339 -56.1447 -13.4019 -71.8903 223.696 -11.4033 171.226 374.871 PRESSAVG: 2443400 -48.4423 1.976 14.7351 1.97606 -35.3284 34.2941 14.7351 34.2939 38.4984 GPRESSAVG: 2443400 -47.7602 2.50191 15.481 2.68577 -35.6603 35.7869 12.5593 34.2344 38.7508 TIMING: 2443400 CPU: 7291.3, 0.00294868/step Wall: 7291.3, 0.00294868/step, 2.09406 hours remaining, 207.289062 MB of memory in use. ENERGY: 2443400 764.6263 2104.4960 1940.8822 109.5079 -206259.4750 17897.3548 0.0000 0.0000 34330.2745 -149112.3332 299.8148 -183442.6078 -149009.1280 299.6330 21.0846 50.6142 557905.5813 -15.0908 -14.8899 PRESSURE: 2443600 102.991 -210.124 -183.905 -210.124 -169.791 -160.143 -183.904 -160.142 95.9189 GPRESSURE: 2443600 71.7384 -254.843 -150.463 -76.3115 -51.792 -86.1633 -173.196 -147.07 98.8721 PRESSAVG: 2443600 -13.8046 -21.8134 3.04052 -21.8135 27.9745 42.6665 3.04063 42.6665 23.7615 GPRESSAVG: 2443600 -13.0495 -23.2266 3.12007 -19.4454 28.7357 43.5014 2.78585 41.805 22.8652 TIMING: 2443600 CPU: 7291.89, 0.00295317/step Wall: 7291.89, 0.00295317/step, 2.09708 hours remaining, 207.289062 MB of memory in use. ENERGY: 2443600 804.1678 2100.2388 1939.8594 117.2518 -206243.9513 17946.5557 0.0000 0.0000 34237.3670 -149098.5108 299.0034 -183335.8778 -149001.2305 299.2669 9.7062 39.6062 558893.5453 12.6438 12.8505 PRESSURE: 2443800 -59.0587 111.054 69.0572 111.054 -257.513 43.2929 69.056 43.2924 -56.5225 GPRESSURE: 2443800 -35.5386 70.6562 108.956 108.309 -216.21 165.286 81.5394 -42.014 -31.7582 PRESSAVG: 2443800 21.2182 -85.9386 41.6461 -85.9385 34.6 -10.2582 41.646 -10.2582 -4.66089 GPRESSAVG: 2443800 20.4113 -85.7765 40.4421 -88.969 34.7325 -9.99261 44.0371 -11.6403 -4.13726 TIMING: 2443800 CPU: 7292.48, 0.00296071/step Wall: 7292.48, 0.00296071/step, 2.10227 hours remaining, 207.289062 MB of memory in use. ENERGY: 2443800 770.5677 2026.2378 1922.3038 118.2555 -206118.2766 17691.7537 0.0000 0.0000 34430.6746 -149158.4835 300.6916 -183589.1580 -149063.3071 299.4955 -124.3648 -94.5024 558239.6158 17.0525 17.0022 PRESSURE: 2444000 -281.089 -31.9459 -42.7703 -31.9449 -97.8477 -216.7 -42.771 -216.699 221.007 GPRESSURE: 2444000 -278.007 22.0887 18.8392 -88.1559 -9.67449 -250.313 -39.8835 -207.257 228.091 PRESSAVG: 2444000 -38.1177 -36.5169 -8.54149 -36.517 -1.94357 -5.68585 -8.54146 -5.68586 36.3467 GPRESSAVG: 2444000 -37.409 -34.607 -8.047 -36.3403 -3.04414 -6.57375 -10.3683 -3.46702 36.93 TIMING: 2444000 CPU: 7293.07, 0.00296937/step Wall: 7293.07, 0.00296937/step, 2.10825 hours remaining, 207.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2444000 734.3183 2048.8988 1937.0200 114.8103 -206130.9680 17603.2214 0.0000 0.0000 34285.3611 -149407.3380 299.4226 -183692.6992 -149307.6114 299.0795 -52.6434 -19.8635 556721.2259 -1.2382 -1.1744 PRESSURE: 2444200 -372.2 125.674 -17.1543 125.674 85.2918 -16.2622 -17.1555 -16.2632 -82.8162 GPRESSURE: 2444200 -303.125 156.629 -32.9508 100.8 87.1124 -17.628 -72.9645 -127.741 -51.4285 PRESSAVG: 2444200 -31.4744 -4.17427 -11.7609 -4.1743 29.4609 -50.4922 -11.7608 -50.4923 18.9687 GPRESSAVG: 2444200 -31.6148 -4.95736 -12.8456 -4.48785 29.543 -50.3927 -11.9133 -52.4296 18.826 TIMING: 2444200 CPU: 7293.67, 0.00297213/step Wall: 7293.67, 0.00297213/step, 2.11005 hours remaining, 207.289062 MB of memory in use. ENERGY: 2444200 716.7994 2112.7620 1952.2714 112.6111 -206040.5152 17496.1997 0.0000 0.0000 34132.3980 -149517.4736 298.0867 -183649.8716 -149416.3202 298.6364 -123.2413 -89.1471 556606.0810 5.6517 5.5847 LDB: ============= START OF LOAD BALANCING ============== 7297.21 LDB: ============== END OF LOAD BALANCING =============== 7297.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7297.21 LDB: ============= START OF LOAD BALANCING ============== 7297.51 LDB: Largest compute 4773 load 0.026724 is 22.6% of average load 0.118230 LDB: Average compute 0.001735 is 1.5% of average load 0.118230 LDB: TIME 7297.52 LOAD: AVG 0.11823 MAX 0.203438 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.066 MB LDB: TIME 7297.52 LOAD: AVG 0.11823 MAX 0.203438 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.07 MB LDB: TIME 7297.52 LOAD: AVG 0.11823 MAX 0.203438 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.07 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7297.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7297.52 PRESSURE: 2444400 221.612 28.9277 79.4604 28.927 106.582 -37.3375 79.4622 -37.338 239.887 GPRESSURE: 2444400 232.011 -60.5928 66.5491 48.4577 137.928 -142.486 72.7017 -30.7269 304.535 PRESSAVG: 2444400 -14.6033 21.1323 -33.9894 21.1325 -23.4702 62.1793 -33.9894 62.1793 34.2108 GPRESSAVG: 2444400 -13.5449 21.6804 -34.3063 22.3217 -23.9606 61.692 -33.4834 61.6123 34.2009 TIMING: 2444400 CPU: 7294.27, 0.00302654/step Wall: 7294.27, 0.00302654/step, 2.14851 hours remaining, 207.484375 MB of memory in use. ENERGY: 2444400 704.0432 2056.4711 1918.1303 123.6961 -206504.7478 18004.9769 0.0000 0.0000 34076.4995 -149620.9307 297.5985 -183697.4302 -149522.5417 298.3705 189.3602 224.8246 556278.6762 -1.2876 -1.1015 PRESSURE: 2444600 33.7974 -12.9097 98.6902 -12.909 -74.9837 135.872 98.6908 135.873 -117.915 GPRESSURE: 2444600 48.9107 -3.39172 68.1988 -37.9521 -16.5369 109.339 85.4181 147.306 -94.4212 PRESSAVG: 2444600 49.0364 26.2299 0.43306 26.2298 -18.7943 47.4755 0.433127 47.4755 -24.4534 GPRESSAVG: 2444600 48.5324 25.3738 2.59782 25.1998 -18.123 46.6379 -0.654678 50.0706 -24.9001 TIMING: 2444600 CPU: 7294.86, 0.00296223/step Wall: 7294.86, 0.00296223/step, 2.10269 hours remaining, 207.484375 MB of memory in use. ENERGY: 2444600 761.5441 2067.3123 1942.0584 121.1749 -206185.4488 17587.2284 0.0000 0.0000 33923.3378 -149782.7928 296.2609 -183706.1307 -149683.3509 297.8147 -53.0339 -20.6825 556621.9541 1.9296 1.8365 PRESSURE: 2444800 -137.225 -169.81 -209.796 -169.81 187.257 -7.91641 -209.797 -7.91542 -72.3896 GPRESSURE: 2444800 -84.9374 -193.676 -124.495 -175.703 207.462 42.4046 -236.634 -29.381 -40.6242 PRESSAVG: 2444800 -96.2498 30.2748 -31.5952 30.2749 13.0873 19.5515 -31.5953 19.5515 42.0055 GPRESSAVG: 2444800 -96.2548 32.5666 -33.129 29.6591 12.7196 20.4609 -29.7134 18.3835 42.9263 TIMING: 2444800 CPU: 7295.46, 0.00297955/step Wall: 7295.46, 0.00297955/step, 2.11482 hours remaining, 207.484375 MB of memory in use. ENERGY: 2444800 728.5564 2070.1421 1925.9653 105.3061 -206744.5057 17981.0275 0.0000 0.0000 34012.0166 -149921.4916 297.0354 -183933.5082 -149819.9894 297.2621 -7.4524 27.3000 557749.4720 -13.7190 -13.5363 PRESSURE: 2445000 26.0921 83.8662 -11.633 83.8658 118.68 1.4699 -11.634 1.46961 -114.039 GPRESSURE: 2445000 72.0761 130.214 25.5884 114.384 102.885 11.0261 -39.6332 -24.0845 -44.5416 PRESSAVG: 2445000 38.5429 -34.8314 14.8613 -34.8313 -24.6305 -12.4222 14.8614 -12.4222 49.6329 GPRESSAVG: 2445000 38.1793 -34.9031 16.1646 -33.6035 -24.9426 -12.3236 14.8912 -11.6023 50.2776 TIMING: 2445000 CPU: 7296.05, 0.00296968/step Wall: 7296.05, 0.00296968/step, 2.10765 hours remaining, 207.484375 MB of memory in use. ENERGY: 2445000 738.6368 2100.0567 1906.1100 112.6631 -206874.0924 18042.8566 0.0000 0.0000 34201.0955 -149772.6737 298.6867 -183973.7692 -149674.5755 297.3148 10.2441 43.4732 557577.3041 21.1818 21.1715 PRESSURE: 2445200 -73.8858 81.1504 -38.5737 81.1506 -210.489 -88.1562 -38.5751 -88.1543 148.754 GPRESSURE: 2445200 -98.9438 82.5333 -5.63182 41.6854 -121.402 -166.031 -19.5698 -46.1717 188.876 PRESSAVG: 2445200 40.1823 -5.82601 21.7385 -5.826 -28.5485 7.488 21.7385 7.48796 23.2101 GPRESSAVG: 2445200 40.236 -7.57426 20.832 -5.13352 -27.3951 6.91306 20.4041 6.45818 22.1036 TIMING: 2445200 CPU: 7296.65, 0.00299344/step Wall: 7296.65, 0.00299344/step, 2.12435 hours remaining, 207.484375 MB of memory in use. ENERGY: 2445200 752.1953 2134.1248 1914.8105 121.5393 -206524.8155 17755.5421 0.0000 0.0000 33948.5455 -149898.0580 296.4811 -183846.6035 -149803.6884 297.8538 -45.2071 -10.4901 556002.1193 11.6146 11.6482 PRESSURE: 2445400 556.119 -71.7224 91.022 -71.7226 202.301 12.4131 91.0228 12.4129 306.618 GPRESSURE: 2445400 650.448 -75.7158 -14.4375 -125.41 214.253 0.812871 127.88 -5.35973 304.959 PRESSAVG: 2445400 -37.7669 -53.0086 -25.4842 -53.0085 -31.6958 -22.887 -25.4841 -22.8869 54.8782 GPRESSAVG: 2445400 -38.0674 -52.3505 -25.7345 -55.0239 -32.7025 -24.4184 -24.8844 -21.6465 56.2442 TIMING: 2445400 CPU: 7297.25, 0.00298068/step Wall: 7297.25, 0.00298068/step, 2.11512 hours remaining, 207.484375 MB of memory in use. ENERGY: 2445400 719.2789 2086.4750 1932.0403 109.6679 -207393.6805 18503.3956 0.0000 0.0000 34165.6650 -149877.1578 298.3773 -184042.8228 -149787.6384 297.4752 355.0131 389.8869 556395.4777 -4.8615 -4.8419 PRESSURE: 2445600 -78.2339 54.2282 -36.0741 54.2273 -101.828 -119.104 -36.0748 -119.103 -84.1881 GPRESSURE: 2445600 -56.2004 -18.3031 -153.936 103.555 -19.9675 -162.656 62.4792 -51.6947 -93.0194 PRESSAVG: 2445600 28.2122 -1.53307 28.6603 -1.53304 -17.7995 -13.4071 28.6603 -13.407 -7.40795 GPRESSAVG: 2445600 28.9322 -1.98797 29.436 0.15536 -16.8704 -13.5048 30.007 -11.7688 -9.02168 TIMING: 2445600 CPU: 7297.84, 0.00296899/step Wall: 7297.84, 0.00296899/step, 2.10667 hours remaining, 207.484375 MB of memory in use. ENERGY: 2445600 735.7689 2106.9347 1923.9602 109.1470 -206793.3624 17984.0258 0.0000 0.0000 34004.6653 -149928.8605 296.9712 -183933.5258 -149836.6768 297.5827 -88.0834 -56.3958 557346.9112 1.0016 1.0134 PRESSURE: 2445800 -112.815 -135.185 80.3389 -135.185 144.953 -204.363 80.3396 -204.361 128.896 GPRESSURE: 2445800 -98.4887 -183.836 113.55 -68.8564 176.299 -234.44 44.2053 -177.068 170.145 PRESSAVG: 2445800 3.76877 -17.4567 54.1828 -17.4567 -19.8189 -59.108 54.1828 -59.108 11.4779 GPRESSAVG: 2445800 3.81818 -17.5001 54.4421 -19.187 -20.4557 -58.7744 51.6311 -60.3565 11.8837 TIMING: 2445800 CPU: 7298.44, 0.00297913/step Wall: 7298.44, 0.00297913/step, 2.11369 hours remaining, 207.484375 MB of memory in use. ENERGY: 2445800 731.9928 2136.8688 1933.7371 116.4376 -206552.1089 17802.9752 0.0000 0.0000 34063.5391 -149766.5582 297.4854 -183830.0973 -149667.0240 297.4309 53.6781 82.6517 557647.2364 -1.5241 -1.5846 PRESSURE: 2446000 32.6213 -30.884 -73.5111 -30.882 286.593 66.878 -73.5112 66.8806 -60.5044 GPRESSURE: 2446000 58.5589 -64.6605 -76.7458 -26.9974 292.74 51.5587 -75.1896 3.88299 -3.58777 PRESSAVG: 2446000 -17.2441 6.3109 63.6331 6.31089 -25.0092 1.37797 63.6331 1.37799 42.0266 GPRESSAVG: 2446000 -17.301 4.20228 62.8173 9.56383 -25.4857 2.03676 65.9761 0.236 42.9995 TIMING: 2446000 CPU: 7299.04, 0.00300032/step Wall: 7299.04, 0.00300032/step, 2.12856 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2446000 738.0120 2098.7734 1932.2577 119.2823 -207056.0901 18185.4783 0.0000 0.0000 34158.6538 -149823.6327 298.3160 -183982.2865 -149728.0441 297.9717 86.2365 115.9039 557296.5272 -0.0755 0.0709 PRESSURE: 2446200 201.347 -53.1597 40.5601 -53.1611 -107.775 -197.928 40.5589 -197.931 -70.3946 GPRESSURE: 2446200 183.674 -55.8253 11.5846 -50.8275 -13.3334 -211.948 52.1221 -151.845 -63.2982 PRESSAVG: 2446200 34.2086 -16.6817 15.8366 -16.6817 -15.7135 68.371 15.8367 68.371 3.13109 GPRESSAVG: 2446200 33.2277 -14.9621 15.514 -19.1902 -14.0556 68.8038 14.4912 68.3903 2.94233 TIMING: 2446200 CPU: 7299.63, 0.00297701/step Wall: 7299.63, 0.00297701/step, 2.11186 hours remaining, 207.484375 MB of memory in use. ENERGY: 2446200 740.1119 2031.8876 1884.5456 90.9417 -206647.9334 17900.1512 0.0000 0.0000 34130.3744 -149869.9210 298.0690 -184000.2954 -149768.6251 297.6843 7.7257 35.6809 555846.9964 7.2087 7.3715 PRESSURE: 2446400 208.808 -103.713 68.5873 -103.712 -206.401 135.291 68.5878 135.29 20.6721 GPRESSURE: 2446400 208.393 -142.383 66.7457 -93.7508 -173.454 135.165 66.7871 165.05 82.2156 PRESSAVG: 2446400 -14.743 -25.8046 37.9144 -25.8044 -19.3302 9.49233 37.9145 9.49233 11.1045 GPRESSAVG: 2446400 -14.318 -24.4547 38.5535 -25.9368 -20.5667 9.04285 39.2494 8.97169 12.0946 TIMING: 2446400 CPU: 7300.23, 0.0029593/step Wall: 7300.23, 0.0029593/step, 2.09913 hours remaining, 207.484375 MB of memory in use. ENERGY: 2446400 735.8034 2060.9802 1913.7021 114.1269 -206585.9682 17745.3832 0.0000 0.0000 34022.5548 -149993.4176 297.1274 -184015.9724 -149898.6408 296.9233 7.6931 39.0516 555802.6194 -7.6562 -7.5967 PRESSURE: 2446600 -238.743 -2.40854 11.1367 -2.40825 -5.96764 61.9243 11.1372 61.9237 -80.6807 GPRESSURE: 2446600 -164.771 -126.622 19.0768 108.91 6.62918 37.2229 54.3876 -3.92779 -69.0136 PRESSAVG: 2446600 -18.3598 6.59458 23.1266 6.59465 18.1563 42.3934 23.1267 42.3934 -21.6201 GPRESSAVG: 2446600 -18.1545 5.79835 25.0328 6.00985 17.9579 43.9364 20.8259 40.7352 -21.4305 TIMING: 2446600 CPU: 7300.82, 0.00296043/step Wall: 7300.82, 0.00296043/step, 2.09977 hours remaining, 207.484375 MB of memory in use. ENERGY: 2446600 754.9980 2070.7296 1919.1767 102.4029 -206655.8762 17763.7012 0.0000 0.0000 34079.1915 -149965.6764 297.6221 -184044.8679 -149872.4880 297.3733 -108.4640 -75.7184 556433.9380 -7.2746 -7.2090 PRESSURE: 2446800 -44.7684 189.321 54.7946 189.32 120.286 -22.1194 54.7947 -22.1196 65.0446 GPRESSURE: 2446800 -41.9136 148.522 35.732 209.689 189.584 40.0287 -18.9238 -48.8018 98.9999 PRESSAVG: 2446800 -20.9836 -21.7498 28.4931 -21.7497 -2.27659 40.504 28.4931 40.5041 19.5627 GPRESSAVG: 2446800 -22.5076 -22.9293 27.9362 -22.1336 -0.978504 39.3933 30.5467 44.4628 19.7115 TIMING: 2446800 CPU: 7301.41, 0.0029479/step Wall: 7301.41, 0.0029479/step, 2.09072 hours remaining, 207.484375 MB of memory in use. ENERGY: 2446800 757.9788 2068.2066 1944.1134 119.8259 -206706.3229 17944.6437 0.0000 0.0000 33999.9883 -149871.5663 296.9304 -183871.5545 -149775.7078 297.3982 46.8541 82.2234 556164.5371 -1.2325 -1.2582 PRESSURE: 2447000 -47.0632 -128.608 -149.237 -128.61 164.515 40.4375 -149.238 40.4373 -200.746 GPRESSURE: 2447000 -7.0569 -196.513 -58.1479 -100.234 156.401 78.8886 -172.827 1.05763 -145.41 PRESSAVG: 2447000 30.4523 26.1006 27.3974 26.1007 78.3188 -14.0341 27.3975 -14.034 -105.563 GPRESSAVG: 2447000 31.5883 26.4353 26.8527 26.1191 77.2266 -13.6096 27.0424 -15.9763 -105.645 TIMING: 2447000 CPU: 7302, 0.00295081/step Wall: 7302, 0.00295081/step, 2.09262 hours remaining, 207.484375 MB of memory in use. ENERGY: 2447000 746.6367 2030.6917 1929.2901 108.9636 -206749.4499 17923.5955 0.0000 0.0000 34249.8536 -149760.4188 299.1125 -184010.2724 -149661.3241 297.7338 -27.7646 1.3112 555736.0209 1.0692 1.0565 PRESSURE: 2447200 147.236 -34.7608 35.3133 -34.7612 113.2 136.11 35.3121 136.11 272.679 GPRESSURE: 2447200 197.12 -40.1495 104.834 -132.246 159.381 125.394 -15.1841 146.236 270.991 PRESSAVG: 2447200 -28.8167 3.76837 28.5675 3.76834 14.378 -7.62957 28.5674 -7.62967 23.8341 GPRESSAVG: 2447200 -28.4006 1.75776 29.7699 5.24933 14.1787 -9.2005 27.838 -5.1333 23.5047 TIMING: 2447200 CPU: 7302.59, 0.00296149/step Wall: 7302.59, 0.00296149/step, 2.10002 hours remaining, 207.484375 MB of memory in use. ENERGY: 2447200 746.2524 2073.9740 1912.2529 107.6874 -206945.2615 18068.7031 0.0000 0.0000 34347.0523 -149689.3394 299.9614 -184036.3917 -149591.5330 297.6829 177.7049 209.1636 555537.7561 3.1318 3.0943 PRESSURE: 2447400 -156.533 58.8767 135.007 58.8783 49.2377 -50.8934 135.007 -50.8917 191.871 GPRESSURE: 2447400 -101.426 49.4999 118.118 4.28205 83.5668 -109.954 69.4853 23.4642 200.135 PRESSAVG: 2447400 2.62083 15.5417 17.6292 15.5418 -27.8034 6.75353 17.6292 6.75351 70.1975 GPRESSAVG: 2447400 3.03142 15.4155 16.3599 15.4718 -26.9103 9.2193 17.9657 4.12171 69.4654 TIMING: 2447400 CPU: 7303.19, 0.00300033/step Wall: 7303.19, 0.00300033/step, 2.1274 hours remaining, 207.484375 MB of memory in use. ENERGY: 2447400 757.1695 2054.2467 1952.8399 107.3900 -206714.6065 17954.4172 0.0000 0.0000 34244.3085 -149644.2348 299.0641 -183888.5433 -149545.7763 298.8760 28.1918 60.7587 556582.8731 15.0050 15.1955 PRESSURE: 2447600 47.5927 16.0309 75.349 16.0301 185.16 -14.3726 75.3492 -14.3724 109.243 GPRESSURE: 2447600 63.2666 23.9256 22.4871 -60.1035 194.125 3.82388 103.842 -27.2696 168.078 PRESSAVG: 2447600 0.715198 1.62499 51.879 1.62499 -34.7878 55.781 51.8791 55.781 31.1788 GPRESSAVG: 2447600 -0.055024 4.0532 53.7688 -0.191498 -34.9737 53.9803 50.3633 55.4388 31.8202 TIMING: 2447600 CPU: 7303.79, 0.00298942/step Wall: 7303.79, 0.00298942/step, 2.1195 hours remaining, 207.484375 MB of memory in use. ENERGY: 2447600 715.0694 2102.4307 1935.0330 107.5047 -207092.8029 18150.3046 0.0000 0.0000 34308.1086 -149774.3519 299.6212 -184082.4605 -149674.1253 298.2138 113.9987 141.8231 556264.1169 -0.9646 -1.0695 PRESSURE: 2447800 -167.646 -166.229 17.8299 -166.23 -146.748 81.3247 17.8293 81.3263 -238.976 GPRESSURE: 2447800 -96.9591 -178.358 74.1373 -136.158 -166.932 70.9636 77.758 73.1175 -178.896 PRESSAVG: 2447800 -52.6729 3.01858 -37.4957 3.01857 38.0849 49.2355 -37.4957 49.2355 1.24711 GPRESSAVG: 2447800 -53.3191 0.602619 -37.4882 4.85718 38.6944 49.9308 -36.661 47.9974 1.55377 TIMING: 2447800 CPU: 7304.39, 0.00299477/step Wall: 7304.39, 0.00299477/step, 2.12313 hours remaining, 207.484375 MB of memory in use. ENERGY: 2447800 757.9908 2072.2885 1933.8919 110.2029 -206422.7980 17697.7902 0.0000 0.0000 34087.2721 -149763.3616 297.6926 -183850.6338 -149677.2688 298.4960 -184.4567 -147.5957 556437.9695 -4.4470 -4.3570 PRESSURE: 2448000 191.648 86.964 -73.3956 86.9617 -86.5394 230.183 -73.396 230.184 9.66989 GPRESSURE: 2448000 155.107 146.172 -71.2885 28.1733 18.455 252.89 -19.2843 235.134 41.3923 PRESSAVG: 2448000 34.6616 25.4342 10.1549 25.4342 -38.9417 65.5743 10.1549 65.5744 7.53701 GPRESSAVG: 2448000 35.3437 29.3895 8.68031 23.3732 -38.2909 63.59 9.49836 68.3352 6.79961 TIMING: 2448000 CPU: 7304.98, 0.0029866/step Wall: 7304.98, 0.0029866/step, 2.11717 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2448000 738.6388 2123.9305 1944.5075 119.0796 -206471.1833 17888.4406 0.0000 0.0000 34161.0220 -149495.5644 298.3367 -183656.5864 -149400.8410 298.6245 38.2596 71.6515 556694.6592 1.0856 1.2842 PRESSURE: 2448200 67.4494 -116.055 77.767 -116.055 219.778 43.965 77.7677 43.966 281.735 GPRESSURE: 2448200 160.171 -121.575 82.2924 -112.221 222.076 17.5113 55.1722 20.3669 285.247 PRESSAVG: 2448200 19.9583 8.34593 -57.4643 8.34592 20.2598 12.1737 -57.4644 12.1737 -21.3377 GPRESSAVG: 2448200 20.7095 7.30855 -56.4308 8.31487 18.1118 12.5458 -56.3872 12.3929 -20.2311 TIMING: 2448200 CPU: 7305.58, 0.00295874/step Wall: 7305.58, 0.00295874/step, 2.09725 hours remaining, 207.484375 MB of memory in use. ENERGY: 2448200 722.8957 2114.9214 1935.2021 115.3145 -206951.3752 18096.6646 0.0000 0.0000 34378.3173 -149588.0596 300.2344 -183966.3769 -149496.5890 298.4840 189.6542 222.4978 555033.7412 6.2934 6.1967 LDB: ============= START OF LOAD BALANCING ============== 7309.12 LDB: ============== END OF LOAD BALANCING =============== 7309.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7309.12 LDB: ============= START OF LOAD BALANCING ============== 7309.42 LDB: Largest compute 4773 load 0.027552 is 23.3% of average load 0.118312 LDB: Average compute 0.001746 is 1.5% of average load 0.118312 LDB: TIME 7309.42 LOAD: AVG 0.118312 MAX 0.203087 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.023 MB LDB: TIME 7309.42 LOAD: AVG 0.118312 MAX 0.203087 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.027 MB LDB: TIME 7309.42 LOAD: AVG 0.118312 MAX 0.203087 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.027 MB LDB: ============== END OF LOAD BALANCING =============== 7309.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7309.43 PRESSURE: 2448400 117.707 -60.1261 -107.903 -60.1257 128.037 13.399 -107.904 13.3989 2.83451 GPRESSURE: 2448400 176.725 3.70719 -190.251 -54.9143 123.387 20.6465 -31.0033 23.882 37.5314 PRESSAVG: 2448400 20.4173 -17.4248 -51.1281 -17.4247 5.38346 12.655 -51.1281 12.655 -42.1753 GPRESSAVG: 2448400 19.3598 -15.9385 -50.9015 -16.6091 6.2479 14.2529 -51.8198 11.8208 -42.2157 TIMING: 2448400 CPU: 7306.18, 0.0030196/step Wall: 7306.18, 0.0030196/step, 2.14022 hours remaining, 206.000000 MB of memory in use. ENERGY: 2448400 734.8931 2088.9440 1927.6456 112.0084 -206598.6277 18103.5543 0.0000 0.0000 33992.0023 -149639.5799 296.8606 -183631.5822 -149544.3099 298.4090 82.8595 112.5480 557846.3948 -5.4582 -5.5360 PRESSURE: 2448600 94.4926 -42.0219 -29.7419 -42.0226 -172.56 19.5583 -29.7425 19.56 -21.2838 GPRESSURE: 2448600 142.191 -41.8658 5.33586 -36.8757 -123.54 31.07 -106.891 -12.6331 -28.4159 PRESSAVG: 2448600 27.1009 -42.8845 -51.7524 -42.8846 23.0241 15.8203 -51.7524 15.8202 -40.9959 GPRESSAVG: 2448600 27.3641 -42.8237 -49.7932 -43.5938 22.7173 15.0893 -51.2598 15.9294 -41.3712 TIMING: 2448600 CPU: 7306.78, 0.00297619/step Wall: 7306.78, 0.00297619/step, 2.10929 hours remaining, 206.000000 MB of memory in use. ENERGY: 2448600 737.4424 2058.1084 1943.6950 99.9017 -206454.6343 17685.2853 0.0000 0.0000 34406.7567 -149523.4447 300.4828 -183930.2014 -149425.8279 298.6940 -33.1170 -3.2550 557873.4949 3.0430 2.9034 PRESSURE: 2448800 -20.2578 -2.49572 96.1588 -2.49483 110.482 -22.6318 96.1584 -22.632 46.1372 GPRESSURE: 2448800 -30.5011 -103.976 141.791 -32.0085 174.737 35.4924 86.9629 -22.7333 86.9164 PRESSAVG: 2448800 35.1064 -65.6042 -22.8253 -65.6042 50.4877 14.9055 -22.8253 14.9056 -100.325 GPRESSAVG: 2448800 34.0968 -67.724 -24.552 -64.0543 50.7832 15.8643 -23.2232 15.6327 -99.6776 TIMING: 2448800 CPU: 7307.37, 0.00295457/step Wall: 7307.37, 0.00295457/step, 2.09381 hours remaining, 206.000000 MB of memory in use. ENERGY: 2448800 736.3600 2074.5783 1919.6499 106.7821 -206242.6837 17793.4312 0.0000 0.0000 34108.9023 -149502.9799 297.8815 -183611.8822 -149408.3299 298.0529 45.4538 77.0508 557244.4169 -4.9102 -4.9325 PRESSURE: 2449000 -1.40803 -133.963 12.9155 -133.963 -130.878 -10.7329 12.9162 -10.7358 132.694 GPRESSURE: 2449000 4.20413 -85.3832 -9.12434 -48.0624 -138.524 19.8073 -55.8835 -111.977 241.478 PRESSAVG: 2449000 70.0616 -77.2184 -6.53391 -77.2184 -74.3527 9.81652 -6.53404 9.81652 30.4517 GPRESSAVG: 2449000 69.9097 -77.0951 -8.16684 -77.0629 -74.4853 8.09041 -6.37211 8.57908 30.5255 TIMING: 2449000 CPU: 7307.96, 0.00297901/step Wall: 7307.96, 0.00297901/step, 2.11096 hours remaining, 206.000000 MB of memory in use. ENERGY: 2449000 744.1600 2057.9748 1954.8940 123.8017 -206473.4014 17944.1879 0.0000 0.0000 34086.5803 -149561.8027 297.6866 -183648.3830 -149469.8714 298.0031 0.1361 35.7195 558288.2730 8.7202 8.6500 PRESSURE: 2449200 -8.87363 -50.7062 -184.36 -50.7049 46.0893 -79.8428 -184.36 -79.8421 -80.5534 GPRESSURE: 2449200 -19.5556 -43.1507 -101.375 -84.3289 103.217 -91.9246 -210.847 -105.071 -31.6394 PRESSAVG: 2449200 11.035 -91.0602 11.4315 -91.0601 -20.0196 -9.9685 11.4316 -9.96865 -13.3776 GPRESSAVG: 2449200 12.3411 -90.141 11.2887 -91.2067 -19.7792 -8.08339 12.2506 -9.8771 -14.5585 TIMING: 2449200 CPU: 7308.55, 0.00296363/step Wall: 7308.55, 0.00296363/step, 2.0999 hours remaining, 206.000000 MB of memory in use. ENERGY: 2449200 710.2833 2044.5289 1944.3619 123.5977 -206373.3023 17809.7652 0.0000 0.0000 34331.2288 -149409.5364 299.8232 -183740.7652 -149315.6616 298.5514 -14.4459 17.3406 559496.0308 -7.4541 -7.3322 PRESSURE: 2449400 -145.525 15.349 103.677 15.349 -222.833 -105.296 103.678 -105.296 -103.418 GPRESSURE: 2449400 -58.6557 93.8464 81.8263 -27.0833 -196.198 -179.447 87.8501 -87.7323 -128.752 PRESSAVG: 2449400 34.8493 29.8634 81.3891 29.8634 37.6398 -17.3071 81.3892 -17.3072 -18.5757 GPRESSAVG: 2449400 35.3466 28.6999 83.4702 30.3735 37.1644 -18.5005 80.4957 -16.7293 -18.9883 TIMING: 2449400 CPU: 7309.15, 0.00295395/step Wall: 7309.15, 0.00295395/step, 2.09287 hours remaining, 206.000000 MB of memory in use. ENERGY: 2449400 746.2836 2065.1297 1926.2654 126.1028 -206080.0185 17653.2703 0.0000 0.0000 34241.3940 -149321.5726 299.0386 -183562.9666 -149228.0474 298.6314 -157.2584 -127.8686 558949.8778 17.9711 17.8409 PRESSURE: 2449600 197.393 64.4688 44.8554 64.469 131.448 -119.804 44.8555 -119.804 75.9261 GPRESSURE: 2449600 233.29 -19.4387 15.0931 115.452 150.201 -110.205 103.975 -115.305 112.223 PRESSAVG: 2449600 -14.5964 43.7411 32.9515 43.7411 42.168 -29.9991 32.9515 -29.9991 -29.3108 GPRESSAVG: 2449600 -14.5645 43.7654 31.5777 44.0535 41.3563 -28.0483 33.7987 -29.6924 -28.3791 TIMING: 2449600 CPU: 7309.74, 0.00296741/step Wall: 7309.74, 0.00296741/step, 2.10224 hours remaining, 206.000000 MB of memory in use. ENERGY: 2449600 747.6644 2055.7293 1965.1985 111.4375 -206206.9804 17965.8017 0.0000 0.0000 34120.5089 -149240.6402 297.9829 -183361.1490 -149151.7703 298.8693 134.9223 165.2382 558169.4710 -0.5797 -0.5291 PRESSURE: 2449800 -240.56 -159.175 -9.33642 -159.176 177.052 123.322 -9.33653 123.321 -69.1523 GPRESSURE: 2449800 -177.519 -142.294 -11.0501 -157.758 208.059 214.987 -17.0723 65.4534 -71.9324 PRESSAVG: 2449800 -2.28051 -17.7137 -32.1469 -17.7136 51.6633 59.2764 -32.1469 59.2764 -34.594 GPRESSAVG: 2449800 -3.37768 -17.9121 -31.979 -17.2568 52.1406 58.5141 -33.0401 57.6463 -33.9517 TIMING: 2449800 CPU: 7310.34, 0.0029877/step Wall: 7310.34, 0.0029877/step, 2.11645 hours remaining, 206.000000 MB of memory in use. ENERGY: 2449800 736.5196 2065.0089 1921.1244 115.8789 -206240.0627 17737.6789 0.0000 0.0000 34346.9760 -149316.8760 299.9607 -183663.8520 -149217.7849 298.9985 -44.2201 -13.7973 557104.0277 4.9296 4.9371 PRESSURE: 2450000 92.4357 107.328 32.2279 107.328 -266.857 41.5575 32.2285 41.5567 -142.157 GPRESSURE: 2450000 91.5874 101.746 -73.2787 64.2544 -168.957 12.9909 31.9737 56.0598 -145.999 PRESSAVG: 2450000 41.2106 12.11 -12.4025 12.1099 -42.1014 16.0225 -12.4026 16.0224 -23.2191 GPRESSAVG: 2450000 41.5301 10.9933 -10.8032 10.3949 -42.2477 15.0911 -11.6566 18.3483 -23.7253 TIMING: 2450000 CPU: 7310.93, 0.00297246/step Wall: 7310.93, 0.00297246/step, 2.1055 hours remaining, 206.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2450000 759.1260 2068.0259 1918.9080 101.2598 -205972.5792 17643.4883 0.0000 0.0000 34098.6245 -149383.1468 297.7918 -183481.7713 -149282.4839 299.2802 -105.5263 -74.4562 559174.0487 -8.0366 -8.1476 PRESSURE: 2450200 -102.88 6.30687 -32.3454 6.30621 60.9607 7.41934 -32.3455 7.41822 -115.428 GPRESSURE: 2450200 -66.3868 -59.7754 -37.4679 77.4006 104.423 -0.209796 -100.984 -22.247 -94.2349 PRESSAVG: 2450200 44.0547 27.033 -2.30515 27.0331 1.20095 -19.5981 -2.30519 -19.5981 -40.326 GPRESSAVG: 2450200 43.4625 28.5579 -3.74038 28.3474 0.953295 -19.6156 -1.69847 -18.9055 -40.1935 TIMING: 2450200 CPU: 7311.52, 0.00294316/step Wall: 7311.52, 0.00294316/step, 2.08457 hours remaining, 206.000000 MB of memory in use. ENERGY: 2450200 778.3835 2059.2265 1906.2535 105.9520 -206299.1673 17759.0408 0.0000 0.0000 34311.6731 -149378.6378 299.6524 -183690.3109 -149280.0921 298.4633 -52.4489 -18.7328 557069.7622 1.6432 1.4074 PRESSURE: 2450400 139.234 45.8997 193.485 45.8999 -16.3213 59.8512 193.485 59.8507 299.17 GPRESSURE: 2450400 189.141 56.7165 153.996 45.8509 1.04842 -75.9766 211.179 154.83 321.229 PRESSAVG: 2450400 52.9507 17.708 14.2799 17.708 -7.12495 4.15769 14.2799 4.15784 -5.04304 GPRESSAVG: 2450400 52.8811 18.1626 13.788 17.5887 -6.14174 5.41406 14.0049 3.88193 -5.69509 TIMING: 2450400 CPU: 7312.11, 0.00294425/step Wall: 7312.11, 0.00294425/step, 2.08518 hours remaining, 206.000000 MB of memory in use. ENERGY: 2450400 740.2528 2089.1627 1938.2898 109.6637 -206247.1307 17989.2647 0.0000 0.0000 34121.5523 -149258.9449 297.9920 -183380.4972 -149158.2719 298.9395 140.6943 170.4729 557414.8156 13.5942 13.6814 PRESSURE: 2450600 127.732 -41.395 138.289 -41.3955 58.8234 -31.3979 138.291 -31.397 155.272 GPRESSURE: 2450600 163.466 -46.3843 130.465 -40.4155 142.033 -81.2626 162.12 -43.4319 137.841 PRESSAVG: 2450600 24.9804 -13.6669 -32.5336 -13.667 -42.3422 0.747819 -32.5335 0.747781 25.0819 GPRESSAVG: 2450600 24.1517 -14.0691 -32.688 -12.972 -42.3922 0.00274662 -34.6764 0.474663 25.2305 TIMING: 2450600 CPU: 7312.7, 0.00294562/step Wall: 7312.7, 0.00294562/step, 2.08599 hours remaining, 206.000000 MB of memory in use. ENERGY: 2450600 725.5971 2021.5081 1937.8774 110.0439 -206367.2968 17977.9366 0.0000 0.0000 34451.9273 -149142.4063 300.8773 -183594.3336 -149039.0601 299.7159 113.9423 147.7799 558369.5828 2.5734 2.3300 PRESSURE: 2450800 -286.212 -11.0911 -22.6526 -11.0924 78.6086 -64.108 -22.6525 -64.108 -0.378969 GPRESSURE: 2450800 -277.784 -84.9648 -99.7415 -41.9456 119.53 -33.4614 12.3114 -46.4178 35.7615 PRESSAVG: 2450800 -52.1714 -18.6673 -0.323483 -18.6673 57.4261 -38.2694 -0.323441 -38.2695 22.0344 GPRESSAVG: 2450800 -52.4667 -17.4432 0.29385 -19.914 55.9466 -37.8944 1.3848 -38.9084 23.1865 TIMING: 2450800 CPU: 7313.29, 0.00295197/step Wall: 7313.29, 0.00295197/step, 2.09033 hours remaining, 206.000000 MB of memory in use. ENERGY: 2450800 729.2948 2078.0093 1874.6233 106.6979 -206206.5445 17750.5178 0.0000 0.0000 34360.3689 -149307.0326 300.0776 -183667.4015 -149202.8274 299.3135 -69.3275 -40.8309 558563.2797 9.0964 8.8888 PRESSURE: 2451000 19.0999 67.4702 63.96 67.4716 222.504 -87.0403 63.9598 -87.0417 -26.8235 GPRESSURE: 2451000 96.8417 65.9539 40.1986 29.3598 244.419 -119.212 138.333 5.80665 -20.8813 PRESSAVG: 2451000 -33.8419 -12.2561 -43.3571 -12.2562 15.1727 -20.2121 -43.357 -20.212 24.107 GPRESSAVG: 2451000 -33.4388 -12.6122 -44.2331 -12.5089 15.8909 -20.9805 -44.1155 -18.5316 22.4336 TIMING: 2451000 CPU: 7313.87, 0.00292088/step Wall: 7313.87, 0.00292088/step, 2.06814 hours remaining, 206.000000 MB of memory in use. ENERGY: 2451000 738.8484 2062.2866 1911.3522 111.7899 -206516.5379 17996.4588 0.0000 0.0000 34406.1092 -149289.6929 300.4771 -183695.8021 -149184.7116 298.7985 71.5935 106.7931 556964.3635 1.8126 1.6286 PRESSURE: 2451200 225.139 42.6558 -221.139 42.6563 -24.5389 -47.3539 -221.139 -47.3557 48.0974 GPRESSURE: 2451200 272.585 138.993 -161.887 82.6934 15.589 -50.0525 -211.476 -39.54 44.5753 PRESSAVG: 2451200 47.9174 -10.4321 18.0558 -10.4321 -17.42 4.55309 18.0558 4.5531 -12.9418 GPRESSAVG: 2451200 48.6289 -9.37347 17.5936 -9.10358 -16.997 5.6685 18.4685 3.23126 -14.2764 TIMING: 2451200 CPU: 7314.46, 0.00292711/step Wall: 7314.46, 0.00292711/step, 2.07239 hours remaining, 206.000000 MB of memory in use. ENERGY: 2451200 707.5289 2116.8337 1937.7839 109.6691 -206267.2913 17901.3076 0.0000 0.0000 34228.5317 -149265.6363 298.9263 -183494.1680 -149173.7602 299.5552 82.8991 110.9163 557268.5785 5.8519 5.7852 PRESSURE: 2451400 -390.348 -35.5007 77.626 -35.5 -130.117 136.846 77.6257 136.847 -259.622 GPRESSURE: 2451400 -340.694 -42.7424 108.143 -7.91748 -113.472 78.3006 81.1065 176.324 -237.05 PRESSAVG: 2451400 30.6032 -42.787 14.578 -42.7869 -27.6611 -27.6089 14.578 -27.6089 5.64827 GPRESSAVG: 2451400 29.923 -44.0034 14.5974 -42.3628 -28.1894 -26.9235 15.8018 -27.5966 6.8081 TIMING: 2451400 CPU: 7315.05, 0.00295428/step Wall: 7315.05, 0.00295428/step, 2.09147 hours remaining, 206.000000 MB of memory in use. ENERGY: 2451400 768.9808 2093.9297 1893.6916 122.3129 -205439.0065 17322.2225 0.0000 0.0000 34147.4402 -149090.4287 298.2181 -183237.8689 -148996.1187 298.9900 -260.0289 -230.4051 557704.3932 2.8635 2.8472 PRESSURE: 2451600 70.7886 -99.4507 117.492 -99.4508 71.6246 -78.8557 117.493 -78.8547 -37.7012 GPRESSURE: 2451600 89.135 -19.6765 174.03 -137.691 111.118 -83.9181 34.226 -45.6122 -2.61278 PRESSAVG: 2451600 -3.70999 31.2271 45.3148 31.2271 -28.7855 -15.1702 45.3147 -15.1701 20.3296 GPRESSAVG: 2451600 -3.68775 31.4893 43.9448 29.2547 -27.6375 -16.6707 44.3264 -15.2965 19.4497 TIMING: 2451600 CPU: 7315.64, 0.00296415/step Wall: 7315.64, 0.00296415/step, 2.09829 hours remaining, 206.000000 MB of memory in use. ENERGY: 2451600 762.3470 2036.2968 1940.9255 115.3826 -206303.8932 18020.7278 0.0000 0.0000 34442.7025 -148985.5110 300.7967 -183428.2136 -148897.9038 299.0954 34.9040 65.8802 556715.2961 -4.0553 -3.9585 PRESSURE: 2451800 134.255 -126.374 -107.745 -126.374 133.359 -167.515 -107.745 -167.514 67.3481 GPRESSURE: 2451800 200.923 -111.034 -106.011 -97.8419 122.135 -116.872 -106.331 -108.216 115.567 PRESSAVG: 2451800 -20.0518 30.9371 -40.3185 30.9371 -28.3404 -28.3752 -40.3184 -28.3751 37.5457 GPRESSAVG: 2451800 -18.8661 32.3312 -39.4341 31.0638 -29.9642 -27.5908 -40.8434 -28.5609 38.0156 TIMING: 2451800 CPU: 7316.23, 0.00292832/step Wall: 7316.23, 0.00292832/step, 2.07276 hours remaining, 206.000000 MB of memory in use. ENERGY: 2451800 694.5468 2097.2080 1917.0915 116.8850 -206192.7609 17873.2814 0.0000 0.0000 34310.2725 -149183.4756 299.6401 -183493.7482 -149086.2322 299.4162 111.6542 146.2083 558395.9157 -3.6155 -3.6049 PRESSURE: 2452000 262.932 11.1666 -61.7923 11.1672 -93.573 -74.7666 -61.7919 -74.7633 120.173 GPRESSURE: 2452000 322.693 62.5799 -105.591 -64.9555 -22.0221 -73.035 -35.7184 -61.4848 103.385 PRESSAVG: 2452000 -47.3969 -16.7935 -34.3589 -16.7935 56.2644 -68.8454 -34.3589 -68.8454 22.334 GPRESSAVG: 2452000 -47.5823 -17.6913 -34.5505 -17.7443 56.7392 -68.8392 -34.2178 -69.4975 22.4638 TIMING: 2452000 CPU: 7316.81, 0.00293091/step Wall: 7316.81, 0.00293091/step, 2.07443 hours remaining, 206.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2452000 738.0298 2074.6490 1926.2335 114.8954 -206423.3647 18071.8949 0.0000 0.0000 34193.0937 -149304.5684 298.6168 -183497.6621 -149203.1574 299.2816 96.5106 134.6852 558387.0753 10.4005 10.5402 PRESSURE: 2452200 -408.364 145.058 -162.273 145.06 -213.718 -11.6031 -162.273 -11.6034 -230.541 GPRESSURE: 2452200 -333.706 80.0773 -79.59 176.716 -225.843 -10.3998 -234.515 -31.1291 -206.23 PRESSAVG: 2452200 -6.93375 -54.7528 -6.66908 -54.7528 53.1169 -19.9691 -6.66902 -19.9692 -41.1707 GPRESSAVG: 2452200 -8.14985 -53.5894 -5.34355 -54.6918 54.1343 -18.808 -6.78587 -21.2419 -41.2125 TIMING: 2452200 CPU: 7317.4, 0.00292847/step Wall: 7317.4, 0.00292847/step, 2.07254 hours remaining, 206.000000 MB of memory in use. ENERGY: 2452200 747.1269 2116.8383 1970.8737 105.8992 -206007.9724 17489.5800 0.0000 0.0000 34235.1008 -149342.5535 298.9837 -183577.6543 -149246.7809 298.9480 -284.2076 -255.2598 558257.9498 1.6708 1.5906 LDB: ============= START OF LOAD BALANCING ============== 7320.94 LDB: ============== END OF LOAD BALANCING =============== 7320.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7320.94 LDB: ============= START OF LOAD BALANCING ============== 7321.24 LDB: Largest compute 4796 load 0.024756 is 20.9% of average load 0.118238 LDB: Average compute 0.001736 is 1.5% of average load 0.118238 LDB: TIME 7321.24 LOAD: AVG 0.118238 MAX 0.202058 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.793 MB LDB: TIME 7321.24 LOAD: AVG 0.118238 MAX 0.202058 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: TIME 7321.24 LOAD: AVG 0.118238 MAX 0.202058 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: ============== END OF LOAD BALANCING =============== 7321.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7321.25 PRESSURE: 2452400 -38.675 -46.3569 -75.2613 -46.3566 200.173 -7.66788 -75.2604 -7.66714 42.5924 GPRESSURE: 2452400 29.9954 -30.809 -208.566 -16.489 200.049 -74.7364 -15.7262 32.5552 68.4042 PRESSAVG: 2452400 56.3627 -21.9772 -18.4296 -21.9773 -1.39504 39.5463 -18.4296 39.5465 -7.19849 GPRESSAVG: 2452400 57.8677 -22.7108 -19.848 -20.7688 -2.74535 39.2723 -18.422 40.265 -7.23062 TIMING: 2452400 CPU: 7318, 0.00299698/step Wall: 7318, 0.00299698/step, 2.12086 hours remaining, 207.226562 MB of memory in use. ENERGY: 2452400 733.1499 2012.1759 1895.1217 94.0492 -206568.7328 18020.2354 0.0000 0.0000 34334.5021 -149479.4986 299.8517 -183814.0007 -149380.8232 298.5006 68.0303 99.4830 558025.7552 15.9231 15.9639 PRESSURE: 2452600 8.75849 54.5763 28.5479 54.5747 -31.8433 34.0426 28.5477 34.0426 177.352 GPRESSURE: 2452600 27.7743 90.7488 49.5878 122.218 2.40156 57.3197 20.5692 72.5261 219.385 PRESSAVG: 2452600 -14.9222 26.9685 -14.5441 26.9684 10.8489 -33.8597 -14.5441 -33.8597 29.0411 GPRESSAVG: 2452600 -15.4921 25.2066 -14.5455 27.8368 9.73639 -34.6647 -14.5008 -32.6802 30.7488 TIMING: 2452600 CPU: 7318.59, 0.00298316/step Wall: 7318.59, 0.00298316/step, 2.11092 hours remaining, 207.226562 MB of memory in use. ENERGY: 2452600 721.2171 2071.6324 1934.9303 107.4037 -206824.5445 18004.4460 0.0000 0.0000 34382.2284 -149602.6867 300.2686 -183984.9150 -149508.1056 298.5361 51.4223 83.1870 557147.4076 8.3226 8.3310 PRESSURE: 2452800 -230.227 -41.6396 44.7726 -41.6374 -186.953 55.53 44.7724 55.5296 153.012 GPRESSURE: 2452800 -166.687 -83.9057 50.3327 -83.3836 -182.312 106.439 22.0733 71.1283 182.326 PRESSAVG: 2452800 -1.2985 1.55559 -23.6855 1.55551 -66.2233 51.3949 -23.6855 51.395 74.6824 GPRESSAVG: 2452800 -1.1819 1.26031 -21.9045 2.15555 -65.0233 52.4217 -23.1848 50.1447 73.1293 TIMING: 2452800 CPU: 7319.19, 0.0029731/step Wall: 7319.19, 0.0029731/step, 2.10363 hours remaining, 207.226562 MB of memory in use. ENERGY: 2452800 722.3608 2090.3253 1920.2756 120.8532 -206435.2275 17871.6649 0.0000 0.0000 34128.2172 -149581.5306 298.0502 -183709.7478 -149493.5378 298.6621 -88.0559 -55.5574 557540.0589 2.3869 2.3080 PRESSURE: 2453000 -209.497 38.4792 51.3242 38.4772 -20.3051 75.0413 51.3241 75.0396 -79.0171 GPRESSURE: 2453000 -160.375 32.0401 91.3906 33.9059 -42.6952 122.306 19.2432 104.003 -27.5384 PRESSAVG: 2453000 5.59711 -42.1906 -7.65158 -42.1906 -46.3304 71.7835 -7.6515 71.7834 40.5759 GPRESSAVG: 2453000 5.161 -41.8452 -6.74985 -44.6901 -46.2993 72.586 -8.70864 73.2369 40.7651 TIMING: 2453000 CPU: 7319.79, 0.00298675/step Wall: 7319.79, 0.00298675/step, 2.11313 hours remaining, 207.226562 MB of memory in use. ENERGY: 2453000 752.7911 2066.6388 1945.5854 98.8658 -206522.3145 17792.6903 0.0000 0.0000 34313.0444 -149552.6988 299.6644 -183865.7432 -149457.5542 299.0421 -102.9399 -76.8696 557442.6364 -0.0525 -0.1244 PRESSURE: 2453200 -57.1959 7.45058 115.64 7.45119 -279.387 56.4192 115.64 56.418 336.435 GPRESSURE: 2453200 14.8465 -77.1526 19.7024 17.2515 -244.025 63.2855 82.3394 129.622 328.417 PRESSAVG: 2453200 -46.905 -30.1546 -23.0943 -30.1546 6.39955 19.1075 -23.0943 19.1073 21.154 GPRESSAVG: 2453200 -47.9079 -28.6272 -24.7832 -31.4708 6.90134 19.1239 -21.866 17.5989 21.5934 TIMING: 2453200 CPU: 7320.38, 0.00294636/step Wall: 7320.38, 0.00294636/step, 2.08438 hours remaining, 207.226562 MB of memory in use. ENERGY: 2453200 702.2906 2088.5525 1916.7457 110.8956 -206604.9075 18025.2875 0.0000 0.0000 34263.9006 -149497.2349 299.2352 -183761.1355 -149400.1831 298.3595 -0.0492 33.0794 558971.6282 -6.4505 -6.4710 PRESSURE: 2453400 192.61 3.60706 -97.3138 3.60731 176.853 -159.855 -97.3153 -159.854 231.836 GPRESSURE: 2453400 245.894 -12.195 -87.3413 36.3225 127.674 -170.048 -180.417 -114.852 313.066 PRESSAVG: 2453400 -67.3339 -18.5455 -28.1529 -18.5454 18.6836 -40.1128 -28.153 -40.1128 68.4822 GPRESSAVG: 2453400 -66.8551 -19.5839 -27.7479 -16.7319 17.2713 -40.7089 -29.7813 -39.9585 70.0793 TIMING: 2453400 CPU: 7320.97, 0.00296775/step Wall: 7320.97, 0.00296775/step, 2.09935 hours remaining, 207.347656 MB of memory in use. ENERGY: 2453400 721.3108 2082.6152 1916.9180 104.0688 -206646.8845 18125.7095 0.0000 0.0000 34229.7211 -149466.5411 298.9367 -183696.2622 -149365.5541 298.6630 200.4330 228.8780 557470.1729 6.6107 6.8318 PRESSURE: 2453600 -61.2128 193.843 -93.7878 193.845 270.976 36.9748 -93.7899 36.9743 -120.256 GPRESSURE: 2453600 -59.7359 171.353 -178.511 162.275 242.203 23.7673 -20.6123 2.97574 -15.623 PRESSAVG: 2453600 -87.6525 -33.0483 -17.1284 -33.0483 58.5467 -32.5248 -17.1283 -32.5247 6.52245 GPRESSAVG: 2453600 -87.1759 -35.029 -15.169 -31.9554 58.7215 -35.6548 -17.7075 -30.7663 5.79157 TIMING: 2453600 CPU: 7321.56, 0.00295546/step Wall: 7321.56, 0.00295546/step, 2.0905 hours remaining, 207.347656 MB of memory in use. ENERGY: 2453600 757.6009 2108.6727 1954.5139 114.1647 -206439.9814 17899.6142 0.0000 0.0000 33960.6219 -149644.7931 296.5866 -183605.4150 -149551.7320 298.4975 29.8357 55.6147 557723.9731 -7.5278 -7.5543 PRESSURE: 2453800 -89.4324 -33.0894 14.9645 -33.0898 -257.472 -49.4093 14.9656 -49.4112 -126.364 GPRESSURE: 2453800 -45.3154 54.5616 -11.1496 -102.924 -205.395 -35.4976 -5.29634 26.9176 -138.526 PRESSAVG: 2453800 -36.4703 -14.8304 -71.0493 -14.8302 12.2257 -3.16631 -71.0494 -3.16644 1.64083 GPRESSAVG: 2453800 -36.7159 -12.7326 -73.7279 -15.9533 11.8677 -1.10793 -68.9048 -3.58058 2.51119 TIMING: 2453800 CPU: 7322.15, 0.00295623/step Wall: 7322.15, 0.00295623/step, 2.09088 hours remaining, 207.347656 MB of memory in use. ENERGY: 2453800 771.9342 2092.2100 1922.9849 121.2202 -206578.2205 17834.8103 0.0000 0.0000 34134.2954 -149700.7655 298.1033 -183835.0609 -149599.8221 297.9465 -157.7561 -129.7454 558860.5573 -7.5346 -7.4457 PRESSURE: 2454000 -54.395 85.0971 31.945 85.0977 -123.285 10.3404 31.9462 10.3396 193.731 GPRESSURE: 2454000 -112.749 73.649 -21.8744 102.693 -24.4409 -3.54614 61.8281 23.2701 247.944 PRESSAVG: 2454000 -12.4875 -36.6488 4.33532 -36.6487 34.7527 -6.19356 4.33533 -6.19369 -49.6612 GPRESSAVG: 2454000 -13.5399 -35.9388 4.68898 -36.6322 35.5587 -7.81157 3.50535 -6.26008 -49.4713 TIMING: 2454000 CPU: 7322.74, 0.00294558/step Wall: 7322.74, 0.00294558/step, 2.08318 hours remaining, 207.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2454000 706.5245 2067.2525 1944.2847 105.5221 -206580.5008 17886.1193 0.0000 0.0000 34150.8697 -149719.9280 298.2480 -183870.7977 -149627.8902 297.5642 5.3503 36.9180 557414.2017 -9.1320 -9.1508 PRESSURE: 2454200 45.2222 -78.3896 -8.36095 -78.3906 270.27 -99.5715 -8.36103 -99.5704 252.866 GPRESSURE: 2454200 95.8632 -113.424 2.00136 -39.4412 297.848 -130.931 -37.6047 -50.8271 281.84 PRESSAVG: 2454200 -57.9053 -20.3425 -50.0237 -20.3425 20.1105 -30.295 -50.0237 -30.2951 21.374 GPRESSAVG: 2454200 -56.0428 -20.5566 -48.3953 -21.29 19.685 -28.7503 -50.73 -30.5981 19.8042 TIMING: 2454200 CPU: 7323.33, 0.00292604/step Wall: 7323.33, 0.00292604/step, 2.0692 hours remaining, 207.347656 MB of memory in use. ENERGY: 2454200 722.3265 2071.6801 1945.3600 113.8700 -206916.4220 18289.2660 0.0000 0.0000 34070.0653 -149703.8541 297.5424 -183773.9194 -149603.3427 297.2250 189.4528 225.1836 556945.1957 -5.4736 -5.5179 PRESSURE: 2454400 -33.7169 -266.082 -92.0828 -266.083 -70.6849 -60.7428 -92.0831 -60.7432 -2.55956 GPRESSURE: 2454400 -12.7949 -272.449 -52.2531 -230.473 -55.0845 -92.1861 -107.713 -81.9145 48.657 PRESSAVG: 2454400 -3.63099 -42.9513 -20.769 -42.9514 43.7611 -19.6159 -20.769 -19.6158 -33.696 GPRESSAVG: 2454400 -3.86954 -43.1591 -20.9642 -42.1838 43.4192 -19.9469 -20.139 -19.336 -33.333 TIMING: 2454400 CPU: 7323.92, 0.0029593/step Wall: 7323.92, 0.0029593/step, 2.09255 hours remaining, 207.347656 MB of memory in use. ENERGY: 2454400 737.6603 2085.5301 1917.7461 98.7689 -206481.3355 17808.9337 0.0000 0.0000 34043.6530 -149789.0435 297.3117 -183832.6965 -149691.7944 297.9484 -35.6538 -6.4075 556701.4121 2.1447 2.0722 PRESSURE: 2454600 48.0603 14.1557 73.0215 14.1562 168.619 67.2333 73.0224 67.2327 -118.787 GPRESSURE: 2454600 83.828 -66.9882 75.1063 51.3969 170.819 -13.5614 75.2984 60.7913 -64.0534 PRESSAVG: 2454600 -3.85324 -7.03993 -20.9651 -7.03988 -1.80483 -29.2723 -20.9649 -29.2721 13.3097 GPRESSAVG: 2454600 -4.0155 -8.32737 -21.7421 -7.27255 -0.473571 -29.4964 -22.1919 -28.149 12.5805 TIMING: 2454600 CPU: 7324.51, 0.00294328/step Wall: 7324.51, 0.00294328/step, 2.08106 hours remaining, 207.347656 MB of memory in use. ENERGY: 2454600 721.2895 2024.1672 1920.2626 104.5120 -206629.2684 17870.9107 0.0000 0.0000 34307.2351 -149680.8913 299.6136 -183988.1264 -149590.9222 298.2640 32.6310 63.5313 556347.8341 2.5505 2.6972 PRESSURE: 2454800 -196.561 106.616 -41.2244 106.614 149.45 85.5714 -41.2226 85.5706 279.889 GPRESSURE: 2454800 -124.959 152.19 -17.7143 67.0434 160.286 66.49 -80.6798 101.948 279.159 PRESSAVG: 2454800 -46.618 -16.5126 -9.08142 -16.5126 64.5018 -51.6468 -9.08148 -51.6469 -10.4393 GPRESSAVG: 2454800 -46.4158 -15.4069 -9.95185 -17.5543 63.1732 -50.1798 -6.23114 -51.8252 -9.4029 TIMING: 2454800 CPU: 7325.1, 0.00297261/step Wall: 7325.1, 0.00297261/step, 2.10164 hours remaining, 207.347656 MB of memory in use. ENERGY: 2454800 744.2257 2107.2472 1900.6161 107.0726 -206483.3506 17799.9410 0.0000 0.0000 34296.6234 -149527.6246 299.5209 -183824.2481 -149443.8659 298.9438 77.5928 104.8285 556157.7842 2.4815 2.4515 PRESSURE: 2455000 -81.0791 185.901 -88.5898 185.901 248.273 39.6629 -88.591 39.6623 341.579 GPRESSURE: 2455000 -56.3606 243.935 -24.1048 183.427 268.417 16.0387 -142.59 42.6348 391.621 PRESSAVG: 2455000 -68.6896 -13.5 -51.7157 -13.5 -22.087 -76.9332 -51.7157 -76.9333 90.2394 GPRESSAVG: 2455000 -69.1768 -13.0343 -51.6108 -13.7054 -21.648 -78.1873 -52.8074 -77.3362 89.697 TIMING: 2455000 CPU: 7325.69, 0.0029583/step Wall: 7325.69, 0.0029583/step, 2.09135 hours remaining, 207.347656 MB of memory in use. ENERGY: 2455000 705.5768 2062.3780 1936.5254 126.1741 -206798.5177 18339.1275 0.0000 0.0000 34102.3289 -149526.4070 297.8241 -183628.7359 -149434.8642 298.3519 169.5908 201.2258 559243.0264 -0.1791 -0.3759 PRESSURE: 2455200 -356.622 -36.6184 87.1341 -36.6194 -175.475 -87.9396 87.1361 -87.9387 -163.188 GPRESSURE: 2455200 -368.919 12.9201 -31.3418 -49.535 -150.848 -77.9391 40.2159 -12.6416 -98.8243 PRESSAVG: 2455200 0.834756 8.26784 -37.1296 8.26792 -2.77967 -33.3068 -37.1296 -33.3068 35.1998 GPRESSAVG: 2455200 2.57856 6.24614 -35.1366 11.0555 -2.96662 -33.3751 -39.114 -35.4223 33.7546 TIMING: 2455200 CPU: 7326.28, 0.0029545/step Wall: 7326.28, 0.0029545/step, 2.0885 hours remaining, 207.550781 MB of memory in use. ENERGY: 2455200 792.8800 2066.6690 1944.1231 111.4017 -206407.2050 17690.5312 0.0000 0.0000 34154.3917 -149647.2083 298.2788 -183801.6001 -149552.2678 298.3260 -231.7618 -206.1970 558042.8464 11.0850 11.1222 PRESSURE: 2455400 -246.055 32.7099 -131.099 32.7093 -93.1348 8.62854 -131.098 8.62877 -48.9762 GPRESSURE: 2455400 -226.988 1.55955 -91.4264 50.7869 -73.6296 141.525 -121.196 -57.6078 20.155 PRESSAVG: 2455400 -72.2413 0.738801 -22.171 0.738717 21.2397 -40.4688 -22.1709 -40.4688 41.4571 GPRESSAVG: 2455400 -74.0845 2.56908 -22.8442 0.994638 21.9622 -41.0402 -21.7127 -38.3186 42.3974 TIMING: 2455400 CPU: 7326.88, 0.00297079/step Wall: 7326.88, 0.00297079/step, 2.09986 hours remaining, 207.550781 MB of memory in use. ENERGY: 2455400 716.0077 2101.3314 1933.1124 117.6448 -206460.4396 17830.2268 0.0000 0.0000 34134.8705 -149627.2462 298.1083 -183762.1166 -149532.6543 298.4047 -129.3886 -93.4877 558463.3150 -3.1815 -3.2416 PRESSURE: 2455600 -165.041 -96.463 131.34 -96.4624 -134.343 -68.6817 131.34 -68.6817 -3.12606 GPRESSURE: 2455600 -160.661 -18.952 127.523 -118.5 -51.2027 -69.127 107.988 -47.3367 7.77413 PRESSAVG: 2455600 0.830648 7.66557 3.25039 7.6655 -7.85648 68.9714 3.25039 68.9714 38.6636 GPRESSAVG: 2455600 1.44421 8.41689 1.90997 5.78523 -8.06853 69.2475 5.93622 69.0903 38.3058 TIMING: 2455600 CPU: 7327.47, 0.00296282/step Wall: 7327.47, 0.00296282/step, 2.09405 hours remaining, 207.550781 MB of memory in use. ENERGY: 2455600 747.6750 2221.0996 1918.8004 115.0850 -206795.4362 17787.9941 0.0000 0.0000 34332.7867 -149671.9954 299.8368 -184004.7821 -149574.2862 298.4353 -100.8367 -68.0298 556106.9343 10.5459 10.5605 PRESSURE: 2455800 -194.458 4.29157 -156.527 4.29231 -54.3824 -34.8259 -156.527 -34.8248 152.371 GPRESSURE: 2455800 -171.295 64.3927 -109.574 -42.5465 12.6815 33.6211 -77.1654 -106.527 152.537 PRESSAVG: 2455800 -66.5555 2.92626 10.729 2.92628 60.1518 -18.8463 10.7289 -18.8463 60.0894 GPRESSAVG: 2455800 -67.9436 0.257699 11.5196 3.13543 61.2581 -18.2897 8.58998 -20.4281 60.787 TIMING: 2455800 CPU: 7328.06, 0.00296761/step Wall: 7328.06, 0.00296761/step, 2.09728 hours remaining, 207.550781 MB of memory in use. ENERGY: 2455800 737.7066 2089.0977 1914.7045 128.5378 -206670.9229 17851.1010 0.0000 0.0000 34182.5155 -149767.2597 298.5244 -183949.7753 -149672.1855 298.6935 -32.1565 -2.0256 556263.7320 17.8952 18.0338 PRESSURE: 2456000 -358.479 121.264 41.5213 121.264 12.4301 23.3874 41.5211 23.3881 202.274 GPRESSURE: 2456000 -329.937 152.771 56.9374 103.625 117.943 -10.1026 7.57179 59.9406 163.754 PRESSAVG: 2456000 -58.8987 -53.0352 -49.81 -53.0351 25.6086 16.0231 -49.8099 16.0231 -2.52566 GPRESSAVG: 2456000 -56.8109 -52.5572 -49.1169 -52.3997 24.7391 14.4176 -49.0669 15.8204 -3.18335 TIMING: 2456000 CPU: 7328.66, 0.00296052/step Wall: 7328.66, 0.00296051/step, 2.0921 hours remaining, 207.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2456000 735.0154 2119.7690 1946.1842 113.8156 -206543.4075 17865.6844 0.0000 0.0000 34091.4192 -149671.5197 297.7288 -183762.9389 -149571.7507 298.3114 -47.9249 -16.0800 558559.9882 -11.9386 -11.7517 PRESSURE: 2456200 124.96 7.59537 89.5773 7.59638 -241.169 76.4154 89.5772 76.4153 -40.8302 GPRESSURE: 2456200 107.598 50.5363 69.9202 -87.0129 -196.284 60.2361 100.951 -7.88627 25.5114 PRESSAVG: 2456200 -25.4237 -17.799 -14.9494 -17.7989 -45.5057 -2.84275 -14.9494 -2.84273 45.0604 GPRESSAVG: 2456200 -24.9523 -14.3231 -16.17 -18.6846 -46.5183 0.578393 -15.5839 -3.44648 46.1644 TIMING: 2456200 CPU: 7329.25, 0.00295865/step Wall: 7329.25, 0.00295865/step, 2.09062 hours remaining, 207.550781 MB of memory in use. ENERGY: 2456200 707.7215 2095.0153 1949.6595 118.1701 -206106.1410 17704.0678 0.0000 0.0000 33957.8852 -149573.6217 296.5627 -183531.5068 -149484.2921 298.1268 -52.3464 -21.0581 557586.2356 -8.6230 -8.4354 LDB: ============= START OF LOAD BALANCING ============== 7332.8 LDB: ============== END OF LOAD BALANCING =============== 7332.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7332.8 LDB: ============= START OF LOAD BALANCING ============== 7333.09 LDB: Largest compute 4796 load 0.025822 is 21.8% of average load 0.118272 LDB: Average compute 0.001746 is 1.5% of average load 0.118272 LDB: TIME 7333.1 LOAD: AVG 0.118272 MAX 0.200727 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 7333.1 LOAD: AVG 0.118272 MAX 0.200727 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 7333.1 LOAD: AVG 0.118272 MAX 0.200727 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7333.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7333.1 PRESSURE: 2456400 185.816 -3.35346 -103.781 -3.35343 102.545 -16.3996 -103.781 -16.3999 12.3265 GPRESSURE: 2456400 222.204 21.4871 -36.7153 45.9113 155.314 28.425 -139.034 -33.7946 20.681 PRESSAVG: 2456400 21.7183 28.1155 -35.338 28.1155 -38.3566 -30.0599 -35.338 -30.06 -6.02927 GPRESSAVG: 2456400 21.2163 26.6668 -32.6338 26.8715 -38.7662 -29.7126 -34.9239 -29.37 -4.80642 TIMING: 2456400 CPU: 7329.85, 0.00301778/step Wall: 7329.85, 0.00301778/step, 2.13223 hours remaining, 206.972656 MB of memory in use. ENERGY: 2456400 770.0850 2112.2280 1925.9855 131.2525 -206639.5636 17969.0548 0.0000 0.0000 34279.8799 -149451.0779 299.3747 -183730.9578 -149354.3343 298.3297 100.2292 132.7328 556317.6774 -7.5558 -7.4521 PRESSURE: 2456600 10.5028 248.01 90.8826 248.009 -27.0242 -117.399 90.8829 -117.399 194.391 GPRESSURE: 2456600 29.1878 304.108 48.0734 238.352 44.8254 -113.356 77.07 -38.8341 193.021 PRESSAVG: 2456600 -57.7594 14.1578 37.912 14.1579 17.3524 -22.1519 37.912 -22.1519 18.6069 GPRESSAVG: 2456600 -57.646 13.1499 36.1134 15.5352 18.225 -22.8907 36.9931 -21.1184 17.4523 TIMING: 2456600 CPU: 7330.44, 0.00292983/step Wall: 7330.44, 0.00292983/step, 2.06992 hours remaining, 206.972656 MB of memory in use. ENERGY: 2456600 757.9499 2054.2765 1966.7117 109.0330 -206361.4129 17908.7189 0.0000 0.0000 34072.7472 -149491.9757 297.5658 -183564.7229 -149386.7559 298.4060 59.2900 89.0114 556852.8663 -7.2667 -7.3229 PRESSURE: 2456800 -250.81 30.4406 55.8438 30.4397 -12.9421 -1.99541 55.8431 -1.99601 -98.6227 GPRESSURE: 2456800 -186.33 68.4995 93.9918 31.3068 57.4869 46.9887 41.1367 -98.7938 -132.978 PRESSAVG: 2456800 14.5329 59.1928 57.7895 59.1928 -20.0642 -38.4166 57.7895 -38.4166 -36.7651 GPRESSAVG: 2456800 15.6622 58.8099 56.9594 61.0405 -20.8027 -39.5378 58.3397 -40.2868 -37.5615 TIMING: 2456800 CPU: 7331.03, 0.0029637/step Wall: 7331.03, 0.0029637/step, 2.09369 hours remaining, 206.972656 MB of memory in use. ENERGY: 2456800 785.7845 2093.9840 1925.6898 121.6608 -206154.3123 17812.1565 0.0000 0.0000 34114.0950 -149300.9416 297.9269 -183415.0366 -149199.9919 298.8413 -120.7917 -87.2737 558143.0393 -14.0988 -14.2340 PRESSURE: 2457000 188.759 89.4527 29.4075 89.4526 -192.022 22.5476 29.4078 22.5458 319.333 GPRESSURE: 2457000 156.364 105.373 62.9003 25.6955 -67.21 29.3189 39.6716 -43.5023 329.283 PRESSAVG: 2457000 -10.7101 22.6295 29.7195 22.6294 31.3467 -35.5485 29.7196 -35.5485 18.205 GPRESSAVG: 2457000 -12.2732 23.0853 30.1539 20.3375 32.4873 -35.4713 29.416 -34.4049 18.8783 TIMING: 2457000 CPU: 7331.63, 0.0029737/step Wall: 7331.63, 0.0029737/step, 2.10059 hours remaining, 206.972656 MB of memory in use. ENERGY: 2457000 717.7586 2103.6662 1966.3548 107.0848 -206597.9774 18062.0670 0.0000 0.0000 34146.3597 -149494.6864 298.2087 -183641.0461 -149401.8189 298.4262 105.3567 139.4791 558419.4225 12.9472 13.0308 PRESSURE: 2457200 -481.524 -80.0176 -160.535 -80.0186 -331.206 49.2336 -160.534 49.2317 -87.7308 GPRESSURE: 2457200 -437.673 13.7397 -170.984 -99.2075 -322.757 -62.67 -183.428 39.1363 -37.8873 PRESSAVG: 2457200 -57.798 -13.4669 34.3664 -13.4669 -21.0668 -30.047 34.3663 -30.0469 59.4038 GPRESSAVG: 2457200 -57.4623 -11.7466 33.0433 -12.1712 -21.7336 -31.3136 36.1338 -28.7512 59.4963 TIMING: 2457200 CPU: 7332.22, 0.00294968/step Wall: 7332.22, 0.00294968/step, 2.08346 hours remaining, 206.972656 MB of memory in use. ENERGY: 2457200 744.2278 2145.2613 1934.1219 116.4176 -206041.0186 17503.6970 0.0000 0.0000 34163.5989 -149433.6942 298.3592 -183597.2931 -149339.6784 298.4736 -300.1537 -266.1058 558862.5402 -6.4870 -6.5665 PRESSURE: 2457400 -31.6939 -66.7546 -62.6918 -66.756 -36.4187 -11.841 -62.6915 -11.8403 -251.521 GPRESSURE: 2457400 3.04447 -75.3224 67.4313 -116.162 -53.186 17.3367 -116.458 -73.0986 -177.062 PRESSAVG: 2457400 -27.7597 33.5693 -6.34996 33.5694 13.1302 -40.5709 -6.34996 -40.571 8.71675 GPRESSAVG: 2457400 -27.9022 31.189 -4.02169 31.1491 15.2163 -38.4835 -9.18244 -43.4072 7.52911 TIMING: 2457400 CPU: 7332.81, 0.00295736/step Wall: 7332.81, 0.00295736/step, 2.08872 hours remaining, 206.972656 MB of memory in use. ENERGY: 2457400 745.7785 2069.1808 1944.3282 127.8872 -206183.6787 17600.7989 0.0000 0.0000 34152.4475 -149543.2575 298.2618 -183695.7050 -149458.0157 298.7695 -106.5446 -75.7344 558229.3025 -1.9709 -1.7189 PRESSURE: 2457600 5.58751 -77.4825 14.5537 -77.4823 -10.2293 -89.6178 14.5529 -89.6165 85.2173 GPRESSURE: 2457600 78.0631 -90.983 29.3515 -117.783 34.4782 -82.8282 -65.8256 -68.9742 49.9371 PRESSAVG: 2457600 -34.9268 -53.137 -9.87004 -53.1369 75.8304 -29.9047 -9.86999 -29.9045 -8.98957 GPRESSAVG: 2457600 -34.6771 -50.4316 -12.4815 -50.8666 74.1077 -30.5052 -7.23321 -29.2573 -7.3705 TIMING: 2457600 CPU: 7333.39, 0.00294206/step Wall: 7333.39, 0.00294206/step, 2.07775 hours remaining, 207.082031 MB of memory in use. ENERGY: 2457600 739.8032 2120.5537 1956.5074 109.1759 -206500.7000 17921.3484 0.0000 0.0000 34110.9070 -149542.4045 297.8990 -183653.3115 -149438.7618 298.4499 26.8585 54.1594 556851.0088 10.6380 10.6867 PRESSURE: 2457800 -96.3559 -60.3602 -86.9962 -60.3603 -166.275 113.586 -86.9962 113.586 -53.822 GPRESSURE: 2457800 -103.101 -72.2667 -102.865 -48.1915 -112.216 173.213 -116.369 130.062 -10.4146 PRESSAVG: 2457800 -97.4844 -33.0979 0.111013 -33.0978 80.3981 -8.77107 0.111002 -8.77102 32.1691 GPRESSAVG: 2457800 -97.0486 -34.4364 -0.278381 -34.3011 80.3856 -11.7481 -0.826887 -7.71678 32.2775 TIMING: 2457800 CPU: 7333.98, 0.00292802/step Wall: 7333.98, 0.00292802/step, 2.06767 hours remaining, 207.082031 MB of memory in use. ENERGY: 2457800 751.9530 2057.0668 1932.8177 111.3453 -206367.3584 17811.0271 0.0000 0.0000 34226.2108 -149476.9377 298.9060 -183703.1485 -149375.4808 299.0098 -105.4843 -75.2440 558085.6878 5.0276 5.2048 PRESSURE: 2458000 16.0168 -111.492 43.9554 -111.493 48.8426 11.11 43.9548 11.1106 -357.607 GPRESSURE: 2458000 86.1141 -79.6661 24.0144 -120.632 75.7953 0.477061 61.7803 23.036 -355.873 PRESSAVG: 2458000 43.8439 22.1079 -10.4689 22.1079 -30.3761 82.6755 -10.4689 82.6754 1.77756 GPRESSAVG: 2458000 44.7463 23.7439 -8.09364 22.6199 -30.4843 84.8074 -10.2426 82.1528 1.13641 TIMING: 2458000 CPU: 7334.57, 0.00294924/step Wall: 7334.57, 0.00294924/step, 2.08249 hours remaining, 207.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2458000 721.1489 2045.7261 1940.6909 109.2605 -206170.7478 17733.5567 0.0000 0.0000 34357.3286 -149263.0361 300.0511 -183620.3648 -149162.2231 299.5969 -97.5824 -64.6547 559378.8808 5.0818 5.1328 PRESSURE: 2458200 -22.1823 -1.22988 -177.6 -1.22954 -42.0548 -78.6626 -177.601 -78.6626 184.621 GPRESSURE: 2458200 32.8961 13.3327 -143.099 103.071 2.19292 -112.67 -216.161 -35.1511 174.799 PRESSAVG: 2458200 65.4892 -17.735 -57.7005 -17.735 17.0277 43.5407 -57.7006 43.5407 -18.0614 GPRESSAVG: 2458200 64.9182 -19.8444 -59.5718 -17.8718 17.2844 43.3885 -58.7277 43.6331 -17.7699 TIMING: 2458200 CPU: 7335.16, 0.00296761/step Wall: 7335.16, 0.00296761/step, 2.0953 hours remaining, 207.082031 MB of memory in use. ENERGY: 2458200 775.5893 2105.6110 1942.0278 119.5538 -206348.5825 17933.4043 0.0000 0.0000 34201.3291 -149271.0673 298.6887 -183472.3964 -149171.3819 298.6861 40.1280 69.9628 557156.5840 21.4851 21.4776 PRESSURE: 2458400 94.8244 -74.687 26.795 -74.687 -63.2171 -19.4633 26.7957 -19.4626 181.496 GPRESSURE: 2458400 100.648 -73.9012 63.2622 -98.1839 -68.1892 -14.9472 32.1506 27.7457 264.879 PRESSAVG: 2458400 23.7182 -20.2723 -21.5699 -20.2722 -42.341 34.9155 -21.5699 34.9156 1.25222 GPRESSAVG: 2458400 23.8369 -19.4675 -20.956 -19.9613 -42.0348 36.3198 -19.2427 34.2228 1.54799 TIMING: 2458400 CPU: 7335.76, 0.00296673/step Wall: 7335.76, 0.00296673/step, 2.09451 hours remaining, 207.082031 MB of memory in use. ENERGY: 2458400 757.1477 2102.8570 1951.4788 104.6500 -206731.0576 18081.5480 0.0000 0.0000 34481.0969 -149252.2792 301.1320 -183733.3761 -149149.6705 299.0284 71.0345 99.1125 558359.1139 -5.7902 -5.5500 PRESSURE: 2458600 -59.6846 -103.713 6.70349 -103.713 18.8038 -93.6966 6.70342 -93.6973 -108.262 GPRESSURE: 2458600 15.2205 -79.4926 32.4594 -111.283 46.5583 -28.3359 -32.0845 -225.917 -104.851 PRESSAVG: 2458600 53.8776 32.5004 -18.9149 32.5004 -35.6113 -34.1122 -18.9148 -34.1123 10.9117 GPRESSAVG: 2458600 53.5873 30.7689 -18.1628 34.7146 -36.3099 -35.1139 -19.3793 -34.1635 12.1466 TIMING: 2458600 CPU: 7336.35, 0.00297109/step Wall: 7336.35, 0.00297109/step, 2.09743 hours remaining, 207.082031 MB of memory in use. ENERGY: 2458600 745.2805 2072.1360 1933.2768 106.2386 -206001.3084 17870.6949 0.0000 0.0000 34109.3313 -149164.3502 297.8853 -183273.6815 -149062.0877 299.2131 -49.7144 -14.3573 559103.1430 9.7260 9.8080 PRESSURE: 2458800 20.5148 76.2479 -89.5805 76.2484 208.153 9.58958 -89.5803 9.59151 -204.957 GPRESSURE: 2458800 69.7579 88.7156 -180.659 32.625 225.781 -123.273 -28.122 75.854 -167.539 PRESSAVG: 2458800 41.3932 1.12289 -41.1588 1.12279 28.0615 22.0471 -41.1588 22.047 -20.8201 GPRESSAVG: 2458800 41.841 2.70805 -42.1689 -0.417035 28.9055 22.757 -42.0786 22.981 -21.6304 TIMING: 2458800 CPU: 7336.94, 0.00296051/step Wall: 7336.94, 0.00296051/step, 2.08979 hours remaining, 207.082031 MB of memory in use. ENERGY: 2458800 785.3550 2102.1138 1944.9783 105.5590 -206297.4167 17926.0621 0.0000 0.0000 34172.4933 -149260.8552 298.4369 -183433.3485 -149169.7898 299.4297 7.9038 42.6666 557850.9443 16.2115 16.3720 PRESSURE: 2459000 -130.018 -31.6729 42.5603 -31.6719 24.7339 -155.442 42.5606 -155.443 -129.712 GPRESSURE: 2459000 -72.0498 -15.8349 17.4626 0.582169 14.3063 -141.015 104.982 -129.691 -77.1342 PRESSAVG: 2459000 -0.249145 -18.5344 -56.5664 -18.5344 -15.4967 11.6074 -56.5665 11.6073 73.2064 GPRESSAVG: 2459000 -0.171062 -18.9443 -56.9089 -19.4709 -15.9292 9.69106 -55.4651 11.9898 73.0601 TIMING: 2459000 CPU: 7337.54, 0.00297927/step Wall: 7337.54, 0.00297927/step, 2.10287 hours remaining, 207.082031 MB of memory in use. ENERGY: 2459000 748.1495 2100.2949 1934.0144 110.7489 -206582.3658 17874.2471 0.0000 0.0000 34400.0018 -149414.9093 300.4238 -183814.9111 -149321.9910 298.8575 -78.3318 -44.9593 557535.0143 19.1535 18.9866 PRESSURE: 2459200 -157.894 10.3631 -79.4379 10.3634 116.536 1.96089 -79.4375 1.96055 55.9086 GPRESSURE: 2459200 -152.178 53.1776 -34.7996 18.2576 136.184 91.6914 -177.86 -96.7274 123.935 PRESSAVG: 2459200 -16.496 -19.0628 -21.8284 -19.0627 56.2645 7.84162 -21.8284 7.84175 -22.9202 GPRESSAVG: 2459200 -16.0747 -18.5496 -21.8895 -19.6936 55.9239 9.27534 -23.0408 7.08976 -22.2381 TIMING: 2459200 CPU: 7338.13, 0.00293977/step Wall: 7338.13, 0.00293977/step, 2.07483 hours remaining, 207.082031 MB of memory in use. ENERGY: 2459200 760.2972 2159.9694 1946.5338 113.1992 -206461.0654 17924.4656 0.0000 0.0000 34374.3597 -149182.2405 300.1998 -183556.6002 -149088.8239 299.4115 4.8501 35.9803 557251.8879 5.6161 5.8704 PRESSURE: 2459400 66.5608 -63.4218 -210.057 -63.4231 -70.1761 -146.885 -210.057 -146.885 114.194 GPRESSURE: 2459400 113.059 -91.1013 -191.067 -63.0625 -7.55624 -145.562 -152.553 -165.669 98.4221 PRESSAVG: 2459400 40.9715 62.9977 -82.6709 62.9976 24.0834 -26.9208 -82.6709 -26.9208 -11.7414 GPRESSAVG: 2459400 41.476 61.5493 -81.314 63.5764 23.9227 -27.6355 -82.8989 -23.2417 -11.577 TIMING: 2459400 CPU: 7338.72, 0.00297873/step Wall: 7338.72, 0.00297873/step, 2.10216 hours remaining, 207.082031 MB of memory in use. ENERGY: 2459400 765.6501 2072.5326 1944.5747 111.7374 -206215.0977 17861.8958 0.0000 0.0000 34231.4299 -149227.2772 298.9516 -183458.7072 -149140.0044 299.4771 36.8594 67.9748 557528.4814 17.7712 17.9406 PRESSURE: 2459600 -198.613 -59.1259 169.116 -59.1256 -3.68024 225.982 169.115 225.982 14.0535 GPRESSURE: 2459600 -182.675 -10.444 182.296 -21.4856 65.5259 179.105 119.909 213.168 28.6521 PRESSAVG: 2459600 8.89944 20.0347 -71.7481 20.0346 -7.09984 -10.0269 -71.7482 -10.0269 4.98802 GPRESSAVG: 2459600 8.91409 20.269 -71.1349 21.5687 -7.04418 -8.26691 -72.9312 -11.6625 5.48485 TIMING: 2459600 CPU: 7339.32, 0.00296374/step Wall: 7339.32, 0.00296374/step, 2.09141 hours remaining, 207.082031 MB of memory in use. ENERGY: 2459600 778.1428 2152.6181 1927.8439 113.8985 -206221.4763 17814.4156 0.0000 0.0000 34155.3151 -149279.2421 298.2869 -183434.5572 -149177.8397 299.9486 -62.7467 -29.4990 557926.6785 2.2625 2.4516 PRESSURE: 2459800 -17.0514 85.39 100.301 85.3888 -14.2744 -184.887 100.301 -184.887 -95.6709 GPRESSURE: 2459800 31.4543 84.2712 74.9446 85.2889 20.258 -223.383 91.2614 -44.8883 -88.9551 PRESSAVG: 2459800 -7.77823 12.4099 -21.9076 12.4099 2.83254 -51.5632 -21.9076 -51.5632 0.169938 GPRESSAVG: 2459800 -7.15575 13.2626 -26.1006 9.71565 3.08969 -53.7155 -19.668 -51.8261 -0.958929 TIMING: 2459800 CPU: 7339.91, 0.00295828/step Wall: 7339.91, 0.00295828/step, 2.0874 hours remaining, 207.082031 MB of memory in use. ENERGY: 2459800 747.1607 2078.7038 1950.6204 124.1293 -206066.7688 17655.4186 0.0000 0.0000 34238.3674 -149272.3685 299.0122 -183510.7359 -149176.8304 299.7547 -42.3322 -12.4143 557335.3724 -1.5919 -1.6750 PRESSURE: 2460000 -201.148 -61.7122 -15.3129 -61.712 -100.915 -158.303 -15.3133 -158.303 91.5447 GPRESSURE: 2460000 -214.752 -117.894 -16.1882 -92.6068 -44.2192 -113.129 -11.1321 -97.1707 139.288 PRESSAVG: 2460000 29.4437 9.35537 -9.40279 9.35542 24.3513 -42.3686 -9.40277 -42.3684 -21.3035 GPRESSAVG: 2460000 29.0293 7.67756 -5.85034 11.4967 24.527 -40.1864 -10.7841 -43.2078 -21.2421 TIMING: 2460000 CPU: 7340.5, 0.0029799/step Wall: 7340.5, 0.0029799/step, 2.10249 hours remaining, 207.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2460000 738.3984 2145.9287 1937.2367 108.8684 -205960.3035 17574.0470 0.0000 0.0000 34166.3378 -149289.4865 298.3831 -183455.8244 -149199.6565 299.8771 -70.1727 -39.8945 558258.5573 10.8305 10.7714 PRESSURE: 2460200 114.694 108.601 67.3099 108.6 -344.866 53.2837 67.3095 53.2839 194.158 GPRESSURE: 2460200 107.024 85.162 24.5488 151.869 -305.703 41.4109 36.745 135.136 261.794 PRESSAVG: 2460200 33.0492 -6.67751 61.9751 -6.67751 -23.1974 36.4679 61.9751 36.468 -7.34568 GPRESSAVG: 2460200 33.9422 -7.37479 60.0293 -5.85498 -22.7796 35.9037 62.6057 36.7489 -8.59557 TIMING: 2460200 CPU: 7341.09, 0.00294651/step Wall: 7341.09, 0.00294651/step, 2.07876 hours remaining, 207.082031 MB of memory in use. ENERGY: 2460200 750.1481 2159.9711 1934.1254 108.2838 -206514.1887 17892.9830 0.0000 0.0000 34287.3638 -149381.3135 299.4401 -183668.6773 -149274.2094 299.1132 -12.0049 21.0382 557437.5677 0.8354 0.8557 LDB: ============= START OF LOAD BALANCING ============== 7344.64 LDB: ============== END OF LOAD BALANCING =============== 7344.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7344.64 LDB: ============= START OF LOAD BALANCING ============== 7344.94 LDB: Largest compute 4773 load 0.027455 is 23.2% of average load 0.118181 LDB: Average compute 0.001742 is 1.5% of average load 0.118181 LDB: TIME 7344.94 LOAD: AVG 0.118181 MAX 0.200144 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.738 MB LDB: TIME 7344.94 LOAD: AVG 0.118181 MAX 0.200144 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.738 MB LDB: TIME 7344.94 LOAD: AVG 0.118181 MAX 0.200144 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.738 MB LDB: ============== END OF LOAD BALANCING =============== 7344.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7344.94 PRESSURE: 2460400 95.42 -31.6338 -272.636 -31.6332 93.6192 -157.986 -272.636 -157.986 -101.813 GPRESSURE: 2460400 123.448 -83.8218 -274.058 -42.8144 128.816 -79.2331 -190.896 -213.418 -66.011 PRESSAVG: 2460400 -27.2553 -15.108 1.99023 -15.108 14.7162 -25.5083 1.99022 -25.5083 27.5985 GPRESSAVG: 2460400 -28.0963 -14.5147 5.7314 -18.4229 14.4973 -24.9987 1.16798 -26.2613 28.2256 TIMING: 2460400 CPU: 7341.69, 0.00300904/step Wall: 7341.69, 0.00300904/step, 2.12271 hours remaining, 207.226562 MB of memory in use. ENERGY: 2460400 735.1054 2025.8099 1943.2682 124.7104 -206366.0947 17749.0774 0.0000 0.0000 34354.0263 -149434.0971 300.0223 -183788.1234 -149336.0272 298.7456 29.0755 62.0843 556300.4407 5.0198 4.8755 PRESSURE: 2460600 23.083 48.3275 62.4724 48.3268 -48.5351 -109.951 62.4719 -109.952 43.52 GPRESSURE: 2460600 74.6106 245.943 -61.3521 65.2988 -32.2823 -164.942 94.296 -61.0534 79.4287 PRESSAVG: 2460600 -44.8837 86.7644 63.1478 86.7645 -39.5955 -1.89836 63.1479 -1.8983 122.664 GPRESSAVG: 2460600 -44.4893 87.6891 61.3035 90.1168 -39.9801 -1.10155 63.8506 -0.458504 122.699 TIMING: 2460600 CPU: 7342.28, 0.00295165/step Wall: 7342.28, 0.00295165/step, 2.08206 hours remaining, 207.226562 MB of memory in use. ENERGY: 2460600 727.7146 2092.5332 1923.1648 121.5560 -206654.8235 17921.1308 0.0000 0.0000 34406.2962 -149462.4278 300.4787 -183868.7240 -149367.9317 299.2609 6.0226 40.5857 556282.9736 12.7281 12.7433 PRESSURE: 2460800 -11.6582 -38.6756 138.955 -38.6751 30.6234 -184.984 138.956 -184.984 -232.212 GPRESSURE: 2460800 1.02951 -13.2877 112.889 -57.2064 46.9 -211.733 130.483 -203.488 -166.439 PRESSAVG: 2460800 -7.18669 39.5258 -55.1964 39.5258 14.1112 -39.6091 -55.1964 -39.6091 1.35411 GPRESSAVG: 2460800 -9.18306 40.9869 -55.8141 36.8733 15.0936 -40.944 -55.9077 -41.0693 2.23246 TIMING: 2460800 CPU: 7342.87, 0.00292181/step Wall: 7342.87, 0.00292181/step, 2.06085 hours remaining, 207.226562 MB of memory in use. ENERGY: 2460800 751.5873 2065.6733 1943.2574 109.1069 -206328.1104 17796.4705 0.0000 0.0000 34191.1110 -149470.9039 298.5995 -183662.0149 -149379.3401 299.3185 -71.0824 -39.5033 557119.3599 2.7595 2.7143 PRESSURE: 2461000 -88.6462 -118.303 90.67 -118.303 16.9875 70.0772 90.6714 70.0754 -40.4673 GPRESSURE: 2461000 -83.6727 -138.987 35.5642 -82.0372 117.496 60.0254 116.4 57.3745 -52.5402 PRESSAVG: 2461000 -25.7183 55.5317 -1.13705 55.5318 -20.6122 29.9289 -1.13699 29.9289 25.4326 GPRESSAVG: 2461000 -24.6179 52.8414 0.0672123 56.4404 -21.0458 29.9785 -0.783154 31.0596 25.2166 TIMING: 2461000 CPU: 7343.45, 0.00292439/step Wall: 7343.45, 0.00292439/step, 2.06251 hours remaining, 207.226562 MB of memory in use. ENERGY: 2461000 735.4001 2112.3793 1920.7900 113.2899 -206297.8916 17694.0860 0.0000 0.0000 34209.9997 -149511.9464 298.7644 -183721.9462 -149411.5914 299.1503 -37.3753 -6.2389 556971.9823 -6.9660 -6.8157 PRESSURE: 2461200 -70.4749 -132.546 -9.77135 -132.545 -300.503 32.7705 -9.77099 32.7693 -280.592 GPRESSURE: 2461200 -73.5836 -192.073 -46.6755 -45.2523 -195.369 53.4834 -12.9927 35.2879 -289.721 PRESSAVG: 2461200 5.63417 20.0661 8.29385 20.0661 3.01249 44.9544 8.29386 44.9542 -13.017 GPRESSAVG: 2461200 6.62691 19.9515 6.15556 21.3426 2.10508 44.5119 8.70358 44.3876 -13.0442 TIMING: 2461200 CPU: 7344.05, 0.00296441/step Wall: 7344.05, 0.00296441/step, 2.09057 hours remaining, 207.226562 MB of memory in use. ENERGY: 2461200 724.4629 2138.6041 1926.2378 107.7475 -206125.5634 17521.4714 0.0000 0.0000 34160.7369 -149546.3028 298.3342 -183707.0397 -149456.1217 298.5338 -217.1901 -186.2244 557286.5344 -1.4568 -1.4374 PRESSURE: 2461400 -81.6253 71.7906 57.317 71.7912 -90.1668 20.4036 57.3171 20.4043 11.4564 GPRESSURE: 2461400 -97.5885 106.473 -34.5298 48.1424 -52.1205 -6.5166 15.8711 21.8961 85.3033 PRESSAVG: 2461400 -15.533 0.0565641 8.112 0.0565989 -17.9027 26.4038 8.11192 26.4037 47.0907 GPRESSAVG: 2461400 -16.8231 1.65711 7.43139 -1.28664 -17.5509 27.0989 8.56605 25.9903 47.965 TIMING: 2461400 CPU: 7344.65, 0.00299874/step Wall: 7344.65, 0.00299874/step, 2.11461 hours remaining, 207.226562 MB of memory in use. ENERGY: 2461400 739.7338 2097.8009 1927.0951 114.7137 -206309.6126 17729.6572 0.0000 0.0000 34154.8711 -149545.7407 298.2830 -183700.6118 -149451.2151 298.9223 -53.4452 -21.4686 556359.0033 4.5517 4.5303 PRESSURE: 2461600 -6.03694 35.6009 122.642 35.6005 65.4729 56.3311 122.643 56.3296 54.0504 GPRESSURE: 2461600 -17.803 23.2316 63.3393 -0.835714 107.966 62.2703 151.743 -15.9088 113.385 PRESSAVG: 2461600 -4.3129 -1.77508 -4.39626 -1.77512 47.4897 37.8871 -4.39632 37.8872 -45.9416 GPRESSAVG: 2461600 -3.60959 0.281256 -2.89631 -1.78542 47.7194 38.6497 -3.00608 35.8502 -47.2092 TIMING: 2461600 CPU: 7345.24, 0.00296767/step Wall: 7345.24, 0.00296767/step, 2.09254 hours remaining, 207.226562 MB of memory in use. ENERGY: 2461600 745.1137 2072.0843 1905.4098 115.3890 -206848.8392 18013.0199 0.0000 0.0000 34339.1401 -149658.6824 299.8923 -183997.8226 -149572.3716 298.8183 37.8288 67.8493 557175.8888 -0.9216 -1.0331 PRESSURE: 2461800 -19.6916 -62.4996 -44.7891 -62.5005 35.6637 21.9455 -44.7905 21.9468 -153.408 GPRESSURE: 2461800 -26.7182 -49.8256 -73.2012 -29.5778 61.694 10.496 -33.8716 -4.20971 -78.8481 PRESSAVG: 2461800 18.6978 30.0466 -13.8619 30.0467 44.6424 25.7151 -13.8619 25.7151 -25.5518 GPRESSAVG: 2461800 18.101 29.1193 -14.6103 29.29 44.4109 25.8925 -16.2226 26.5797 -24.7439 TIMING: 2461800 CPU: 7345.83, 0.00294974/step Wall: 7345.83, 0.00294974/step, 2.07973 hours remaining, 207.226562 MB of memory in use. ENERGY: 2461800 728.8932 2092.4090 1907.5825 108.3177 -206141.5833 17558.5920 0.0000 0.0000 34122.5251 -149623.2638 298.0005 -183745.7890 -149527.9643 297.9712 -45.8121 -14.6241 557482.1595 12.5961 12.5893 PRESSURE: 2462000 -310.313 141.176 60.0501 141.177 -218.766 -112.193 60.0508 -112.193 186.415 GPRESSURE: 2462000 -287.583 143.014 41.1069 120.527 -155.537 -117.647 70.5469 -127.929 209.975 PRESSAVG: 2462000 18.2484 40.5497 -10.9809 40.5496 -43.3613 -3.16381 -10.9809 -3.16381 33.2557 GPRESSAVG: 2462000 16.6246 37.45 -10.1709 40.4793 -42.6014 -4.36459 -10.0848 -2.79989 34.9655 TIMING: 2462000 CPU: 7346.42, 0.0029531/step Wall: 7346.42, 0.0029531/step, 2.08193 hours remaining, 207.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2462000 738.6384 1987.0456 1931.0200 99.9544 -206401.6851 17710.1722 0.0000 0.0000 34261.3690 -149673.4855 299.2131 -183934.8544 -149570.8544 297.7499 -114.2214 -77.7148 557981.3316 2.7143 2.9962 PRESSURE: 2462200 -93.3243 131.69 -69.8271 131.69 -166.635 79.5994 -69.8282 79.5999 -164.799 GPRESSURE: 2462200 -8.29898 139.265 -81.0683 147.279 -105.398 78.4279 -119.781 30.2297 -222.028 PRESSAVG: 2462200 12.2162 66.994 -18.5348 66.9939 19.3797 2.42298 -18.5348 2.42294 -15.1862 GPRESSAVG: 2462200 15.0844 68.2772 -18.5111 68.9587 19.3034 2.2036 -20.0627 2.05864 -17.8854 TIMING: 2462200 CPU: 7347.01, 0.0029525/step Wall: 7347.01, 0.0029525/step, 2.08135 hours remaining, 207.265625 MB of memory in use. ENERGY: 2462200 720.9599 2113.9738 1936.2268 103.1804 -206178.5719 17629.0647 0.0000 0.0000 34073.2698 -149601.8966 297.5703 -183675.1664 -149513.8957 298.0697 -141.5860 -111.9083 556412.4123 5.4699 5.5008 PRESSURE: 2462400 -82.9382 -67.3287 -13.3851 -67.3285 -20.2466 -62.3577 -13.3867 -62.3591 -134.889 GPRESSURE: 2462400 -59.7281 -13.9022 -3.83281 -153.824 -31.9359 -73.2373 15.4235 -61.6289 -52.6135 PRESSAVG: 2462400 -27.4264 65.8353 -20.6459 65.8353 -11.2804 3.88142 -20.646 3.88144 8.32864 GPRESSAVG: 2462400 -26.9231 64.9699 -20.5036 65.5155 -12.3486 2.13287 -19.1064 6.22848 9.97238 TIMING: 2462400 CPU: 7347.61, 0.00297931/step Wall: 7347.61, 0.00297931/step, 2.10009 hours remaining, 207.265625 MB of memory in use. ENERGY: 2462400 784.1536 2067.4467 1931.7605 104.3739 -206345.9612 17777.6571 0.0000 0.0000 34376.1823 -149304.3871 300.2157 -183680.5694 -149212.8944 298.3405 -79.3580 -48.0925 556716.4381 -10.1261 -9.7665 PRESSURE: 2462600 133.865 -73.8009 -54.0312 -73.8011 64.8807 36.496 -54.0319 36.4943 -36.4506 GPRESSURE: 2462600 159.359 -78.2316 -12.3014 -56.1183 46.781 76.2671 -28.278 -81.4933 56.7399 PRESSAVG: 2462600 -20.368 -21.1463 0.201938 -21.1463 -12.6548 12.5976 0.201877 12.5977 49.3503 GPRESSAVG: 2462600 -20.892 -19.8703 -1.18146 -22.7856 -11.5525 13.3106 0.657474 11.2514 48.9974 TIMING: 2462600 CPU: 7348.2, 0.00297424/step Wall: 7348.2, 0.00297424/step, 2.09634 hours remaining, 207.265625 MB of memory in use. ENERGY: 2462600 739.6958 2094.5822 1937.0610 101.3134 -206317.1631 17882.9004 0.0000 0.0000 34293.8092 -149267.8011 299.4964 -183561.6103 -149174.3007 299.7438 54.0984 87.6267 555703.3957 5.4425 5.5176 PRESSURE: 2462800 -82.9698 26.7017 -105.821 26.7015 138.891 -175.539 -105.821 -175.539 72.9014 GPRESSURE: 2462800 -10.9879 2.29429 -120.385 -20.0152 131.259 -96.9015 -177.496 -126.183 97.043 PRESSAVG: 2462800 -24.7643 -31.3651 -6.42916 -31.3651 10.5272 13.2191 -6.42914 13.2191 -44.0504 GPRESSAVG: 2462800 -25.333 -31.6673 -4.91848 -30.6197 10.5613 15.0115 -8.60014 15.4841 -43.4377 TIMING: 2462800 CPU: 7348.79, 0.00294703/step Wall: 7348.79, 0.00294703/step, 2.077 hours remaining, 207.265625 MB of memory in use. ENERGY: 2462800 766.0751 2044.2178 1940.9216 120.6350 -206160.1088 17888.1961 0.0000 0.0000 34229.8531 -149170.2102 298.9378 -183400.0633 -149075.6605 298.6981 42.9408 72.4380 556318.2314 -19.4292 -19.4032 PRESSURE: 2463000 8.28978 -66.7089 69.1728 -66.7098 139.287 26.4856 69.172 26.4859 117.335 GPRESSURE: 2463000 69.9022 -61.7561 50.3408 -62.2541 137.417 -50.4103 21.2646 22.2361 163.36 PRESSAVG: 2463000 -44.3228 -65.213 -21.1717 -65.2132 55.1471 64.5097 -21.1716 64.5097 30.5137 GPRESSAVG: 2463000 -43.6699 -64.5533 -23.6632 -65.7471 54.6932 63.5321 -20.1313 63.093 30.691 TIMING: 2463000 CPU: 7349.38, 0.00293578/step Wall: 7349.38, 0.00293578/step, 2.06891 hours remaining, 207.265625 MB of memory in use. ENERGY: 2463000 757.2548 2107.4291 1928.6230 99.9530 -206191.3464 17893.4897 0.0000 0.0000 34138.4743 -149266.1226 298.1398 -183404.5969 -149170.8448 299.8248 88.3037 123.5599 556529.9858 13.7793 13.9047 PRESSURE: 2463200 300.004 7.26774 18.4501 7.26774 -11.1045 11.405 18.4495 11.4034 3.56788 GPRESSURE: 2463200 363.626 -32.4322 -74.4112 35.2513 -25.4659 45.1329 88.6582 30.238 42.7953 PRESSAVG: 2463200 69.2196 -18.562 -2.87615 -18.562 14.421 -24.4191 -2.87619 -24.4192 -53.8832 GPRESSAVG: 2463200 68.8741 -20.3455 -2.48353 -17.3537 14.6829 -24.1093 -2.8519 -23.5853 -54.1109 TIMING: 2463200 CPU: 7349.97, 0.00293805/step Wall: 7349.97, 0.00293805/step, 2.07035 hours remaining, 207.265625 MB of memory in use. ENERGY: 2463200 762.4736 2089.4289 1929.9316 122.5344 -206436.7475 17935.5248 0.0000 0.0000 34346.3911 -149250.4631 299.9556 -183596.8542 -149151.8215 298.7437 97.4891 126.9851 556331.7686 9.9191 9.8154 PRESSURE: 2463400 61.7628 -76.9905 208.192 -76.9909 286.767 58.9191 208.192 58.9205 104.984 GPRESSURE: 2463400 86.3513 -54.3273 114.396 -0.772852 290.563 85.0452 220.312 75.6407 177.725 PRESSAVG: 2463400 35.4121 -28.865 21.7558 -28.8651 44.4192 18.7097 21.7558 18.7097 -66.3321 GPRESSAVG: 2463400 34.6226 -28.4911 23.0909 -30.316 44.2032 19.188 22.4268 17.2987 -65.7158 TIMING: 2463400 CPU: 7350.55, 0.00292274/step Wall: 7350.55, 0.00292274/step, 2.0594 hours remaining, 207.265625 MB of memory in use. ENERGY: 2463400 759.6115 2013.4602 1946.6032 106.6053 -206289.0513 17835.1911 0.0000 0.0000 34388.6141 -149238.9658 300.3243 -183627.5799 -149139.7131 298.9936 151.1713 184.8799 554810.9858 4.4997 4.3700 PRESSURE: 2463600 164.172 27.756 117.316 27.7564 -149.961 197.245 117.316 197.244 90.5484 GPRESSURE: 2463600 159.715 19.8211 128.718 -9.74914 -111.4 137.182 112.623 175.327 135.605 PRESSAVG: 2463600 53.5401 19.6232 -20.1003 19.6233 14.1311 -32.2103 -20.1004 -32.2103 -40.053 GPRESSAVG: 2463600 54.3193 20.3326 -20.6308 21.3277 15.2334 -32.1369 -19.9313 -31.9081 -41.8524 TIMING: 2463600 CPU: 7351.14, 0.002937/step Wall: 7351.14, 0.002937/step, 2.06928 hours remaining, 207.265625 MB of memory in use. ENERGY: 2463600 779.9737 2096.2808 1953.5532 128.0580 -206439.8883 17932.0065 0.0000 0.0000 34222.8738 -149327.1422 298.8769 -183550.0160 -149230.1647 298.7550 34.9199 61.3067 556014.3093 9.2060 9.2334 PRESSURE: 2463800 -153.251 -44.8723 -169.002 -44.8719 -120.888 34.1577 -169.003 34.1558 -19.6332 GPRESSURE: 2463800 -126.364 -18.3756 -47.7522 -42.8187 -31.0874 46.0067 -115.338 -49.4289 -38.3742 PRESSAVG: 2463800 71.7407 -10.1421 -35.2669 -10.1421 7.68882 14.6913 -35.2668 14.6913 -66.5327 GPRESSAVG: 2463800 71.9257 -9.9283 -35.3228 -12.2587 8.16614 13.9054 -36.6274 13.3587 -66.6607 TIMING: 2463800 CPU: 7351.73, 0.00297631/step Wall: 7351.73, 0.00297631/step, 2.09681 hours remaining, 207.265625 MB of memory in use. ENERGY: 2463800 748.8033 2139.6099 1939.3439 115.6250 -206067.1264 17748.5595 0.0000 0.0000 34172.5433 -149202.6415 298.4373 -183375.1848 -149105.1393 299.4090 -97.9240 -65.2750 557886.7689 4.2989 4.4771 PRESSURE: 2464000 -105.925 -139.764 14.1003 -139.765 42.0876 -91.6462 14.1009 -91.647 26.7755 GPRESSURE: 2464000 -103.159 -179.182 -67.1066 -101.789 94.4715 -16.878 -17.0879 -171.736 76.3133 PRESSAVG: 2464000 22.7048 2.63758 -10.0687 2.63754 -12.7893 8.42587 -10.0687 8.42585 5.13868 GPRESSAVG: 2464000 22.8475 2.92064 -8.59373 3.14273 -13.5597 7.7626 -11.6507 8.85649 6.03594 TIMING: 2464000 CPU: 7352.33, 0.0029753/step Wall: 7352.33, 0.0029753/step, 2.09593 hours remaining, 207.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2464000 736.6710 2119.4009 1966.2661 111.8217 -206211.8769 17819.7170 0.0000 0.0000 34303.1566 -149154.8435 299.5780 -183458.0002 -149054.8778 300.0658 -12.3540 22.5421 558272.7002 5.0180 5.1079 PRESSURE: 2464200 122.582 77.0251 -103.34 77.0257 -142.184 -116.207 -103.34 -116.21 -21.7767 GPRESSURE: 2464200 131.07 108.541 -189.013 65.6752 -35.8839 -5.72595 -119.864 -142.487 -36.7879 PRESSAVG: 2464200 40.6853 -118.083 -54.449 -118.083 -24.9835 -45.0666 -54.4489 -45.0666 -5.72216 GPRESSAVG: 2464200 40.2041 -120.556 -55.2026 -115.539 -24.4839 -45.3061 -53.8983 -41.9584 -6.27672 TIMING: 2464200 CPU: 7352.92, 0.00297191/step Wall: 7352.92, 0.00297191/step, 2.09338 hours remaining, 207.265625 MB of memory in use. ENERGY: 2464200 749.0377 2132.4697 1947.6396 118.5011 -206380.8134 17924.8977 0.0000 0.0000 34277.9703 -149230.2973 299.3580 -183508.2676 -149133.1810 299.2479 -13.7929 19.4659 557949.5374 3.3265 3.1478 LDB: ============= START OF LOAD BALANCING ============== 7356.47 LDB: ============== END OF LOAD BALANCING =============== 7356.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7356.47 LDB: ============= START OF LOAD BALANCING ============== 7356.78 LDB: Largest compute 4773 load 0.027228 is 23.0% of average load 0.118214 LDB: Average compute 0.001749 is 1.5% of average load 0.118214 LDB: TIME 7356.78 LOAD: AVG 0.118214 MAX 0.207265 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.754 MB LDB: TIME 7356.78 LOAD: AVG 0.118214 MAX 0.207265 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.961 MB LDB: TIME 7356.78 LOAD: AVG 0.118214 MAX 0.207265 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.961 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7356.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7356.79 PRESSURE: 2464400 -201.019 -24.8091 -101.168 -24.8093 -63.9243 58.8585 -101.168 58.8577 -142.668 GPRESSURE: 2464400 -165.965 8.42776 -29.444 -43.4653 -24.8486 103.415 -146.89 14.6368 -127.916 PRESSAVG: 2464400 26.3801 -34.2306 -39.9552 -34.2306 -20.8054 4.96906 -39.9552 4.96907 1.02342 GPRESSAVG: 2464400 26.1029 -33.0247 -39.9119 -35.2372 -20.7717 5.52928 -40.7678 2.10412 1.00685 TIMING: 2464400 CPU: 7353.54, 0.00306299/step Wall: 7353.54, 0.00306299/step, 2.15736 hours remaining, 206.714844 MB of memory in use. ENERGY: 2464400 777.0298 2099.2298 1956.9884 114.3836 -206377.4407 17801.5541 0.0000 0.0000 34365.6649 -149262.5900 300.1239 -183628.2550 -149166.2970 299.4086 -135.8704 -106.2431 557109.9653 2.1994 2.1127 PRESSURE: 2464600 -279.138 -0.354215 80.2864 -0.354474 -173.967 -141.066 80.2865 -141.066 -83.4166 GPRESSURE: 2464600 -228.378 79.127 104.106 -3.51774 -156.887 -46.136 66.2476 -200.87 -60.5657 PRESSAVG: 2464600 -62.2624 -7.44967 16.5417 -7.44963 -8.3492 -17.8344 16.5417 -17.8344 54.7998 GPRESSAVG: 2464600 -62.0921 -6.01505 14.8626 -8.35743 -9.13417 -18.6933 20.4439 -16.936 55.052 TIMING: 2464600 CPU: 7354.13, 0.00297803/step Wall: 7354.13, 0.00297803/step, 2.09736 hours remaining, 206.714844 MB of memory in use. ENERGY: 2464600 783.8560 2144.0027 1912.7561 114.5576 -206194.0449 17557.3849 0.0000 0.0000 34364.9706 -149316.5169 300.1178 -183681.4875 -149227.0682 299.5610 -178.8404 -148.6101 557913.6456 -5.2706 -5.3914 PRESSURE: 2464800 42.7795 -59.5623 177.388 -59.5633 -197.943 74.0954 177.387 74.0943 -29.8151 GPRESSURE: 2464800 61.6036 -28.0104 204.212 -13.3773 -161.295 5.69036 138.841 95.6876 14.9438 PRESSAVG: 2464800 -24.6646 4.84305 14.0976 4.84306 2.46807 51.8255 14.0975 51.8255 42.493 GPRESSAVG: 2464800 -23.779 3.47682 15.2088 7.23102 2.08549 50.4054 10.5394 53.829 41.7895 TIMING: 2464800 CPU: 7354.72, 0.00296416/step Wall: 7354.72, 0.00296416/step, 2.08743 hours remaining, 206.714844 MB of memory in use. ENERGY: 2464800 773.0463 2068.3920 1946.4088 111.7408 -206214.8011 17759.8630 0.0000 0.0000 34338.5720 -149216.7783 299.8873 -183555.3503 -149119.4782 299.4639 -61.6596 -28.2493 555476.7220 6.7655 6.6987 PRESSURE: 2465000 -33.9617 -73.0571 73.8355 -73.0579 46.9297 -34.3208 73.8358 -34.32 78.3646 GPRESSURE: 2465000 9.31979 -22.9581 93.2773 -58.4392 38.0598 -35.8648 84.8647 -79.0905 145.525 PRESSAVG: 2465000 -55.2161 -52.7766 33.4495 -52.7766 -18.1179 -16.0535 33.4494 -16.0536 28.8792 GPRESSAVG: 2465000 -55.5492 -51.0226 33.4293 -56.3134 -18.0647 -14.2231 34.5854 -18.369 29.5222 TIMING: 2465000 CPU: 7355.32, 0.00296084/step Wall: 7355.32, 0.00296084/step, 2.08493 hours remaining, 206.714844 MB of memory in use. ENERGY: 2465000 766.5014 2027.4061 1939.7007 122.6871 -206343.3496 17923.1596 0.0000 0.0000 34348.8962 -149214.9987 299.9775 -183563.8948 -149120.5439 299.5109 30.4442 64.3016 556399.7788 -14.8183 -14.6972 PRESSURE: 2465200 -231.542 -79.1672 101.617 -79.1672 93.9585 94.7003 101.618 94.7002 -64.675 GPRESSURE: 2465200 -277.191 -153.415 73.8574 -52.5961 169.07 32.5137 146.706 134.712 15.3061 PRESSAVG: 2465200 -38.1362 -11.2955 62.6577 -11.2956 50.6821 -15.196 62.6577 -15.1961 35.2166 GPRESSAVG: 2465200 -36.5822 -13.7152 61.6671 -9.23749 50.9276 -15.9501 63.4165 -14.7014 34.5493 TIMING: 2465200 CPU: 7355.91, 0.00298081/step Wall: 7355.91, 0.00298081/step, 2.09882 hours remaining, 206.714844 MB of memory in use. ENERGY: 2465200 773.2796 2119.0797 1950.7805 110.5721 -206331.2465 17873.0016 0.0000 0.0000 34356.9784 -149147.5546 300.0480 -183504.5330 -149051.7204 299.9956 -67.4195 -30.9382 557062.1131 15.9208 16.2982 PRESSURE: 2465400 172.702 -3.50144 82.0569 -3.50115 119.407 -81.4228 82.0573 -81.4222 202.356 GPRESSURE: 2465400 168.762 -1.20765 50.3115 85.4333 157.493 -61.4661 118.117 -39.1755 263.834 PRESSAVG: 2465400 40.0646 -48.3579 25.5309 -48.3579 -54.4847 8.5712 25.5309 8.57135 8.11352 GPRESSAVG: 2465400 38.9086 -48.9893 27.135 -48.1621 -53.3603 10.8835 24.0173 8.37723 7.48295 TIMING: 2465400 CPU: 7356.51, 0.00299737/step Wall: 7356.51, 0.00299737/step, 2.11031 hours remaining, 206.714844 MB of memory in use. ENERGY: 2465400 733.6958 2105.1137 1919.5657 103.9803 -206514.8715 18067.4239 0.0000 0.0000 34154.8303 -149430.2618 298.2826 -183585.0921 -149335.8730 299.3060 164.8214 196.6964 557041.0175 -2.1022 -2.3229 PRESSURE: 2465600 -66.3961 24.12 -32.3359 24.1197 -250.954 108.133 -32.3361 108.132 -123.268 GPRESSURE: 2465600 0.00262932 69.4037 -46.4179 27.7112 -202.785 61.3215 -13.6228 230.987 -138.631 PRESSAVG: 2465600 1.82619 -45.3553 -21.0298 -45.3553 -39.4998 15.3573 -21.0299 15.3572 5.53759 GPRESSAVG: 2465600 1.74152 -44.0306 -21.0785 -45.991 -42.283 14.5198 -20.3258 17.5256 8.51163 TIMING: 2465600 CPU: 7357.11, 0.00297966/step Wall: 7357.11, 0.00297966/step, 2.09768 hours remaining, 206.714844 MB of memory in use. ENERGY: 2465600 718.3735 2100.0797 1937.2568 116.8751 -205986.9893 17538.3346 0.0000 0.0000 34113.4678 -149462.6018 297.9214 -183576.0696 -149364.7804 298.3560 -146.8728 -113.8046 558677.2585 -10.7120 -10.6766 PRESSURE: 2465800 100.47 34.2906 121.008 34.2896 57.7603 63.8971 121.008 63.8987 80.4253 GPRESSURE: 2465800 111.589 7.26916 126.476 55.5007 78.9809 14.3358 117.835 112.891 141.886 PRESSAVG: 2465800 7.43215 12.7363 12.7451 12.7363 -2.95665 46.8175 12.7452 46.8176 43.7247 GPRESSAVG: 2465800 7.47758 12.074 11.2831 12.9475 -0.741146 45.5001 13.7497 45.4422 41.3174 TIMING: 2465800 CPU: 7357.71, 0.00299738/step Wall: 7357.71, 0.00299738/step, 2.10999 hours remaining, 206.714844 MB of memory in use. ENERGY: 2465800 751.5802 2090.9288 1975.6312 114.7783 -206482.1739 18052.3200 0.0000 0.0000 34258.6753 -149238.2600 299.1895 -183496.9353 -149142.7251 298.7202 79.5520 110.8189 557584.0395 16.0667 16.0179 PRESSURE: 2466000 -1.56771 -2.07883 -7.06809 -2.08005 -78.4832 -22.5407 -7.06825 -22.541 271.394 GPRESSURE: 2466000 27.2056 22.6293 -47.0194 89.4817 -22.0642 -59.857 95.5477 -15.5993 282.925 PRESSAVG: 2466000 -57.6998 -6.8845 47.456 -6.88454 31.6599 10.1088 47.456 10.1089 9.73866 GPRESSAVG: 2466000 -57.4197 -5.22885 47.3176 -7.82964 31.2198 11.4293 47.2588 9.40898 10.8772 TIMING: 2466000 CPU: 7358.3, 0.00297288/step Wall: 7358.3, 0.00297288/step, 2.09257 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2466000 753.0340 2080.3868 1974.2732 101.3351 -206225.8368 17698.6991 0.0000 0.0000 34203.7994 -149414.3091 298.7103 -183618.1085 -149317.8846 298.7760 63.7812 96.0220 555269.9790 -5.4337 -5.1075 PRESSURE: 2466200 13.6614 28.6355 50.6303 28.6356 -98.2538 61.1559 50.6302 61.157 84.4162 GPRESSURE: 2466200 -13.8663 78.5761 154.13 9.79051 -26.8113 23.0224 91.4788 91.1018 133.535 PRESSAVG: 2466200 -38.1581 14.7217 33.4388 14.7218 82.0301 59.4708 33.4388 59.4708 -26.2063 GPRESSAVG: 2466200 -38.2885 11.6919 33.8553 17.5662 82.6411 60.2936 34.1543 60.1916 -26.9893 TIMING: 2466200 CPU: 7358.89, 0.00294545/step Wall: 7358.89, 0.00294545/step, 2.07311 hours remaining, 206.714844 MB of memory in use. ENERGY: 2466200 718.1108 2116.7857 1980.6554 118.7946 -206196.2070 17737.9713 0.0000 0.0000 34116.3958 -149407.4935 297.9470 -183523.8893 -149318.9564 298.9127 -0.0588 30.9524 555653.9819 5.8885 5.7878 PRESSURE: 2466400 -612.07 -192.323 -52.8379 -192.325 -25.6893 11.1311 -52.8377 11.1321 -313.96 GPRESSURE: 2466400 -563.734 -208.562 -76.5659 -181.563 5.41018 49.2227 -65.3516 -42.0563 -296.791 PRESSAVG: 2466400 -118.402 26.915 27.3503 26.915 30.8685 11.4528 27.3502 11.4528 53.783 GPRESSAVG: 2466400 -119.156 27.5811 28.359 25.7282 30.5879 11.1549 25.9768 11.5595 54.4601 TIMING: 2466400 CPU: 7359.48, 0.00295177/step Wall: 7359.48, 0.00295177/step, 2.07739 hours remaining, 206.714844 MB of memory in use. ENERGY: 2466400 771.2296 2060.1485 1957.1549 108.5481 -206055.8037 17559.3806 0.0000 0.0000 34202.7254 -149396.6166 298.7009 -183599.3420 -149294.7791 298.8056 -317.2397 -285.0383 558332.8209 -11.2501 -11.3694 PRESSURE: 2466600 143.327 149.245 94.0639 149.246 17.2432 39.1577 94.0621 39.1569 -328.328 GPRESSURE: 2466600 209 140.527 106.078 39.2724 -0.121541 84.8407 143.358 30.1816 -280.183 PRESSAVG: 2466600 -11.4099 27.9021 -8.1844 27.9022 11.7078 34.4699 -8.18437 34.47 -0.602888 GPRESSAVG: 2466600 -11.0488 27.9845 -8.56655 28.8983 10.2579 33.5936 -6.8439 33.6537 -0.30977 TIMING: 2466600 CPU: 7360.07, 0.00293273/step Wall: 7360.07, 0.00293273/step, 2.06383 hours remaining, 206.714844 MB of memory in use. ENERGY: 2466600 739.0805 2031.3798 1927.3206 115.9960 -206194.9328 17886.6909 0.0000 0.0000 34215.8421 -149278.6230 298.8155 -183494.4651 -149181.7133 299.2701 -55.9191 -23.7683 556772.7363 -0.1016 -0.3669 PRESSURE: 2466800 216.264 -2.67694 -10.4943 -2.6775 342.222 -4.62815 -10.4948 -4.62786 125.856 GPRESSURE: 2466800 240.073 30.6167 -10.8119 14.6629 362.441 -61.8991 -8.24651 -19.573 176.835 PRESSAVG: 2466800 81.0856 -10.6926 39.061 -10.6926 27.0237 12.3797 39.0611 12.3798 -79.2463 GPRESSAVG: 2466800 81.6829 -9.76677 38.1207 -11.6809 26.4598 10.3079 38.7311 13.9802 -79.086 TIMING: 2466800 CPU: 7360.66, 0.00297354/step Wall: 7360.66, 0.00297354/step, 2.09238 hours remaining, 206.714844 MB of memory in use. ENERGY: 2466800 727.6433 2032.5221 1944.2857 111.0387 -206876.9256 18396.7810 0.0000 0.0000 34317.8956 -149346.7591 299.7067 -183664.6547 -149241.9965 299.1793 228.1143 259.7831 556796.6166 9.6210 9.6856 PRESSURE: 2467000 144.549 -162.893 87.4496 -162.893 109.48 -152.636 87.451 -152.637 -144.998 GPRESSURE: 2467000 193.427 -176.79 46.802 -93.0175 92.2349 -167.061 156.776 -93.6294 -71.604 PRESSAVG: 2467000 99.7933 -5.29275 43.0375 -5.29278 -36.5471 -55.1801 43.0377 -55.1802 -39.6065 GPRESSAVG: 2467000 99.2821 -5.57885 41.731 -4.45036 -35.1204 -52.7377 43.5014 -56.9604 -40.1876 TIMING: 2467000 CPU: 7361.25, 0.00294201/step Wall: 7361.25, 0.00294201/step, 2.07003 hours remaining, 206.714844 MB of memory in use. ENERGY: 2467000 765.4653 2130.4964 1927.1625 125.6281 -206197.7056 17862.5843 0.0000 0.0000 34024.2602 -149362.1090 297.1423 -183386.3692 -149276.3555 299.2574 36.3438 71.3526 557443.9556 7.8799 7.9914 PRESSURE: 2467200 -121.197 -177.501 -126.336 -177.501 -138.434 -50.5656 -126.336 -50.5644 73.7372 GPRESSURE: 2467200 -67.1241 -114.897 -222.808 -230.526 -122.417 8.67168 -25.0363 -40.8613 97.3574 PRESSAVG: 2467200 -1.95984 21.0663 -31.5885 21.0663 -63.9665 -62.9915 -31.5885 -62.9915 47.1848 GPRESSAVG: 2467200 -1.48968 21.9325 -30.0093 20.7567 -64.4088 -65.0741 -32.9002 -61.6415 46.7667 TIMING: 2467200 CPU: 7361.84, 0.00293645/step Wall: 7361.84, 0.00293645/step, 2.06596 hours remaining, 206.714844 MB of memory in use. ENERGY: 2467200 713.6536 2083.4362 1938.0685 106.7045 -206012.2805 17745.8073 0.0000 0.0000 33965.0648 -149459.5457 296.6254 -183424.6104 -149356.5477 298.2209 -61.9646 -30.7278 559037.3987 -6.2472 -6.3773 PRESSURE: 2467400 102.254 -30.5811 -21.6115 -30.5811 135.845 89.7189 -21.6117 89.7187 -19.4185 GPRESSURE: 2467400 89.1592 -32.0645 -77.3497 -26.8677 158.768 4.74974 21.1713 93.7517 69.7614 PRESSAVG: 2467400 -62.9957 -11.6786 -45.2265 -11.6787 12.4637 4.32176 -45.2265 4.32172 55.1221 GPRESSAVG: 2467400 -62.7269 -11.698 -45.428 -10.2461 11.6777 3.24654 -43.9062 4.62204 56.162 TIMING: 2467400 CPU: 7362.43, 0.00295807/step Wall: 7362.43, 0.00295807/step, 2.081 hours remaining, 206.714844 MB of memory in use. ENERGY: 2467400 744.5627 2120.3030 1919.7151 104.5671 -206504.6869 18070.1952 0.0000 0.0000 34076.1336 -149469.2103 297.5953 -183545.3439 -149372.7841 298.2111 72.8936 105.8962 558178.8797 1.5300 1.7043 PRESSURE: 2467600 -272.935 106.929 -67.2868 106.927 -235.276 -52.8155 -67.2855 -52.8149 -363.708 GPRESSURE: 2467600 -280.715 120.908 -84.3577 42.4211 -232.466 -63.5698 104.901 -10.4021 -259.942 PRESSAVG: 2467600 -8.16933 66.0351 -47.9195 66.0352 43.1181 50.4184 -47.9195 50.4183 -36.7955 GPRESSAVG: 2467600 -8.0515 65.8264 -48.003 65.014 43.5509 51.3697 -47.0896 49.2447 -37.8696 TIMING: 2467600 CPU: 7363.02, 0.00294082/step Wall: 7363.02, 0.00294082/step, 2.0687 hours remaining, 206.714844 MB of memory in use. ENERGY: 2467600 769.8111 2087.9720 1946.0943 118.4051 -205944.5345 17350.3371 0.0000 0.0000 34200.3572 -149471.5577 298.6802 -183671.9149 -149374.5803 297.8659 -290.6393 -257.7075 558323.8377 -0.6156 -0.7900 PRESSURE: 2467800 -162.222 -58.8353 -41.3589 -58.8338 -369.789 -50.261 -41.3593 -50.2606 -79.4274 GPRESSURE: 2467800 -119.047 -11.2877 -72.4233 -190.295 -339.135 -51.2641 -81.1444 -52.2507 -60.1556 PRESSAVG: 2467800 -5.63373 51.9917 -30.9679 51.9918 -13.5567 10.9108 -30.9678 10.9109 -28.4699 GPRESSAVG: 2467800 -5.51481 50.5738 -30.1288 53.0907 -14.1019 13.164 -32.131 11.7691 -27.6888 TIMING: 2467800 CPU: 7363.61, 0.00297182/step Wall: 7363.61, 0.00297182/step, 2.09035 hours remaining, 206.714844 MB of memory in use. ENERGY: 2467800 722.7724 2096.8316 1923.7545 117.4259 -205828.4469 17487.3147 0.0000 0.0000 34140.8591 -149339.4887 298.1606 -183480.3478 -149239.5330 298.7764 -203.8129 -172.7794 557876.0199 -15.8868 -15.7685 PRESSURE: 2468000 285.349 -187.819 -66.6605 -187.819 19.5421 16.2746 -66.662 16.2752 -129.172 GPRESSURE: 2468000 285.998 -182.402 -174.544 -110.946 32.8798 15.9986 -62.856 -42.3562 -57.8048 PRESSAVG: 2468000 25.8388 -4.86954 15.9768 -4.86955 34.5621 14.9966 15.9768 14.9965 -21.7705 GPRESSAVG: 2468000 25.6536 -2.96293 14.6365 -4.2509 33.988 12.574 15.7345 15.432 -21.0557 TIMING: 2468000 CPU: 7364.21, 0.00297325/step Wall: 7364.21, 0.00297325/step, 2.09118 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2468000 786.2005 2104.5594 1932.1792 112.6781 -206724.4408 18157.5410 0.0000 0.0000 34259.9334 -149371.3492 299.2005 -183631.2826 -149282.3798 298.7664 58.5730 87.0242 557559.8067 12.8768 12.8619 PRESSURE: 2468200 -46.5065 10.8189 126.052 10.8176 -178.94 14.073 126.05 14.073 73.5422 GPRESSURE: 2468200 23.0843 70.0308 74.6269 -13.5992 -180.947 97.0436 139.453 -36.1512 110.54 PRESSAVG: 2468200 63.0971 -29.6085 -18.4869 -29.6085 -33.0626 26.7383 -18.4868 26.7382 -36.1159 GPRESSAVG: 2468200 63.0282 -30.5761 -17.6091 -28.7679 -31.7595 29.2048 -17.5556 25.6539 -37.3886 TIMING: 2468200 CPU: 7364.8, 0.00294734/step Wall: 7364.8, 0.00294734/step, 2.0728 hours remaining, 206.714844 MB of memory in use. ENERGY: 2468200 724.0752 2095.4309 1926.4910 111.4358 -206328.5642 17852.4954 0.0000 0.0000 34283.3295 -149335.3064 299.4048 -183618.6359 -149235.9803 298.8508 -50.6348 -15.7743 558512.9879 -2.0272 -2.0400 LDB: ============= START OF LOAD BALANCING ============== 7368.34 LDB: ============== END OF LOAD BALANCING =============== 7368.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7368.34 LDB: ============= START OF LOAD BALANCING ============== 7368.64 LDB: Largest compute 4796 load 0.026102 is 22.1% of average load 0.118255 LDB: Average compute 0.001738 is 1.5% of average load 0.118255 LDB: TIME 7368.64 LOAD: AVG 0.118255 MAX 0.198806 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 7368.64 LOAD: AVG 0.118255 MAX 0.198806 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: TIME 7368.64 LOAD: AVG 0.118255 MAX 0.198806 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: ============== END OF LOAD BALANCING =============== 7368.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7368.64 PRESSURE: 2468400 165.194 -143.049 1.11313 -143.05 -39.3916 27.0382 1.11181 27.0376 -91.0741 GPRESSURE: 2468400 108.919 -214.629 -105.343 -31.7636 24.2147 39.6699 87.9872 80.4316 -16.258 PRESSAVG: 2468400 28.639 30.4482 20.9619 30.4481 -21.3182 -6.72687 20.9618 -6.72681 24.1415 GPRESSAVG: 2468400 27.6136 32.0102 22.027 28.866 -21.5936 -8.01719 22.0772 -5.59076 25.4443 TIMING: 2468400 CPU: 7365.39, 0.00299284/step Wall: 7365.39, 0.00299284/step, 2.10463 hours remaining, 206.714844 MB of memory in use. ENERGY: 2468400 744.0060 2090.3684 1934.8886 121.8033 -205912.3537 17674.3997 0.0000 0.0000 34128.4565 -149218.4311 298.0523 -183346.8876 -149125.5881 299.0564 11.5761 38.9584 559247.7957 10.4874 10.4881 PRESSURE: 2468600 -89.5379 -110.723 -156.601 -110.72 102.116 -114.967 -156.601 -114.968 31.0996 GPRESSURE: 2468600 -41.7528 -80.6172 -221.838 -176.725 82.4989 -175.607 -143.014 -93.0324 81.0213 PRESSAVG: 2468600 11.0994 -40.6348 -12.8961 -40.6348 -68.6354 -20.5204 -12.8961 -20.5205 61.5663 GPRESSAVG: 2468600 11.0673 -43.767 -14.7796 -40.3831 -68.6084 -20.5542 -14.5465 -20.7423 61.3054 TIMING: 2468600 CPU: 7365.98, 0.00293703/step Wall: 7365.98, 0.00293703/step, 2.06522 hours remaining, 206.714844 MB of memory in use. ENERGY: 2468600 715.7084 2058.7335 1940.2301 108.0895 -206216.1784 17786.8306 0.0000 0.0000 34318.3224 -149288.2638 299.7104 -183606.5863 -149189.6331 299.0633 14.5591 40.5891 557738.1300 1.3435 1.2547 PRESSURE: 2468800 -116.36 -67.8014 6.76755 -67.8004 -23.5611 -89.3922 6.7679 -89.3914 -307.608 GPRESSURE: 2468800 -48.7919 -29.7798 41.8319 1.21277 -0.930167 -150.656 -48.3408 -65.7193 -298.559 PRESSAVG: 2468800 4.22637 37.5734 -1.303 37.5734 0.880225 -86.6384 -1.30299 -86.6382 24.2177 GPRESSAVG: 2468800 4.73162 40.4485 0.261327 37.7249 0.708585 -87.7601 -1.4962 -85.7829 23.4955 TIMING: 2468800 CPU: 7366.57, 0.00295862/step Wall: 7366.57, 0.00295862/step, 2.08024 hours remaining, 206.714844 MB of memory in use. ENERGY: 2468800 743.1248 2167.8683 1927.9260 118.8410 -206175.5587 17727.8148 0.0000 0.0000 34212.2224 -149277.7614 298.7838 -183489.9838 -149177.6101 298.8827 -149.1764 -116.0937 557945.2502 9.7748 9.6452 PRESSURE: 2469000 -164.607 -189.544 101.795 -189.544 -386.282 -85.4568 101.795 -85.4587 154.704 GPRESSURE: 2469000 -165.546 -124.648 63.5626 -214.126 -345.694 -37.2469 167.3 -98.9817 215.216 PRESSAVG: 2469000 67.4137 6.58491 29.2267 6.58494 -38.3303 -20.4151 29.2268 -20.4151 -34.8473 GPRESSAVG: 2469000 65.9546 3.61722 28.1146 6.84864 -37.9537 -19.9104 31.1841 -20.1562 -33.6595 TIMING: 2469000 CPU: 7367.17, 0.0029707/step Wall: 7367.17, 0.0029707/step, 2.08857 hours remaining, 206.714844 MB of memory in use. ENERGY: 2469000 808.4255 2123.3698 1925.6634 109.3191 -206385.9806 17835.0860 0.0000 0.0000 34268.7415 -149315.3754 299.2774 -183584.1169 -149221.6512 298.3291 -132.0616 -98.6746 558959.3250 -1.9213 -1.8862 PRESSURE: 2469200 -342.644 148.879 -60.9829 148.878 -34.7511 -36.4868 -60.9832 -36.4869 -259.524 GPRESSURE: 2469200 -284.146 96.1711 -70.9987 150.296 -4.29285 -29.5789 -70.4481 -29.6241 -252.133 PRESSAVG: 2469200 3.73298 80.1258 18.2524 80.1258 7.92204 24.0852 18.2523 24.0852 -26.7459 GPRESSAVG: 2469200 4.60225 80.2905 18.2889 80.5228 8.10323 25.593 16.9147 22.8071 -28.5809 TIMING: 2469200 CPU: 7367.76, 0.00297124/step Wall: 7367.76, 0.00297124/step, 2.08878 hours remaining, 206.714844 MB of memory in use. ENERGY: 2469200 711.3998 2085.3786 1924.8527 113.3917 -206162.2439 17738.7913 0.0000 0.0000 34191.6954 -149396.7344 298.6046 -183588.4298 -149304.5763 299.2025 -212.3064 -180.1905 560244.3315 -5.0303 -5.2918 PRESSURE: 2469400 -8.37023 36.1836 56.2663 36.185 -176.285 100.073 56.2675 100.072 -53.8417 GPRESSURE: 2469400 41.1185 20.2474 96.6762 -54.2168 -181.777 91.6916 -8.83312 76.99 -13.1618 PRESSAVG: 2469400 -24.5024 41.7325 12.6261 41.7325 -24.8129 -42.0698 12.6262 -42.0698 -16.4142 GPRESSAVG: 2469400 -25.0443 42.6974 12.1441 40.4767 -24.2854 -42.6088 11.5692 -42.0531 -15.937 TIMING: 2469400 CPU: 7368.35, 0.00294482/step Wall: 7368.35, 0.00294482/step, 2.07005 hours remaining, 206.714844 MB of memory in use. ENERGY: 2469400 745.1377 2131.5474 1910.0032 110.4763 -206287.9686 17718.9402 0.0000 0.0000 34075.6716 -149596.1921 297.5913 -183671.8638 -149500.1746 298.4571 -79.4989 -51.2733 557257.4885 -21.9099 -21.7556 PRESSURE: 2469600 -11.9931 -7.88526 -18.9451 -7.88428 92.488 -144.264 -18.9451 -144.263 -229.766 GPRESSURE: 2469600 38.2416 -38.9161 -78.8899 18.6118 66.6853 -87.8923 -31.6603 -104.944 -154.509 PRESSAVG: 2469600 -55.5952 -17.4657 21.439 -17.4657 43.7082 1.94944 21.4389 1.94928 10.552 GPRESSAVG: 2469600 -54.341 -16.3768 23.1197 -18.6847 43.3626 1.88389 21.2016 2.43861 9.86887 TIMING: 2469600 CPU: 7368.94, 0.00293907/step Wall: 7368.94, 0.00293907/step, 2.06584 hours remaining, 206.714844 MB of memory in use. ENERGY: 2469600 771.9516 2099.3880 1913.4067 103.2774 -206457.1233 17785.6004 0.0000 0.0000 34074.6197 -149708.8796 297.5821 -183783.4993 -149611.8293 297.5764 -49.7570 -16.5273 557927.9666 -0.4450 -0.3698 PRESSURE: 2469800 123.437 -55.3603 -70.3453 -55.3604 -195.526 40.3733 -70.3451 40.3743 19.1049 GPRESSURE: 2469800 191.891 -70.6346 -25.1812 13.5487 -146.08 26.4254 -62.6753 54.0761 1.9173 PRESSAVG: 2469800 57.3647 -32.5543 -47.825 -32.5543 -29.8771 14.2459 -47.825 14.2458 -9.42482 GPRESSAVG: 2469800 56.9275 -34.3492 -48.7281 -31.7727 -30.169 11.4242 -47.1238 14.9534 -8.74065 TIMING: 2469800 CPU: 7369.53, 0.00293741/step Wall: 7369.53, 0.00293741/step, 2.06451 hours remaining, 206.714844 MB of memory in use. ENERGY: 2469800 758.7853 2077.7318 1949.7176 101.8027 -206403.3656 17809.6819 0.0000 0.0000 33957.5217 -149748.1247 296.5595 -183705.6463 -149657.4462 298.0199 -17.6612 15.9092 556871.0250 6.0209 6.0059 PRESSURE: 2470000 -45.6123 -133.741 75.4015 -133.741 157.941 -36.5704 75.4007 -36.5677 -66.0392 GPRESSURE: 2470000 15.1616 -224.848 7.52691 -162.358 131.214 -85.243 176.83 -17.9056 -12.7538 PRESSAVG: 2470000 -92.3976 2.76384 -4.09924 2.76375 -33.444 -16.7643 -4.0993 -16.7644 84.9138 GPRESSAVG: 2470000 -92.5225 1.14004 -3.84705 3.28392 -33.9163 -14.8492 -3.14341 -17.5216 85.1101 TIMING: 2470000 CPU: 7370.12, 0.00295609/step Wall: 7370.12, 0.00295609/step, 2.07748 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2470000 755.8331 2086.5802 1935.2905 112.1423 -206701.9369 18053.6340 0.0000 0.0000 34050.8108 -149707.6459 297.3742 -183758.4567 -149607.1800 297.7082 15.4297 44.5407 557980.1153 -13.6426 -13.7762 PRESSURE: 2470200 -71.564 -58.2217 -48.1603 -58.2222 -56.3866 33.8785 -48.1598 33.8788 -51.2243 GPRESSURE: 2470200 -81.535 -66.0776 -124.61 -75.1836 -9.3672 -7.28526 -44.3634 21.2704 0.0715502 PRESSAVG: 2470200 -17.1232 4.51879 -8.0092 4.51874 -14.4977 -19.488 -8.00916 -19.4881 21.5486 GPRESSAVG: 2470200 -15.8294 5.44154 -8.09317 4.98103 -15.9775 -18.7318 -9.59551 -20.1591 21.0745 TIMING: 2470200 CPU: 7370.71, 0.00295527/step Wall: 7370.71, 0.00295527/step, 2.07673 hours remaining, 206.714844 MB of memory in use. ENERGY: 2470200 766.3058 2094.9830 1942.9820 109.1762 -206275.0405 17716.2690 0.0000 0.0000 34020.7209 -149624.6036 297.1114 -183645.3245 -149528.1837 297.6542 -59.7249 -30.2769 557634.1311 -3.3574 -3.5775 PRESSURE: 2470400 -70.3521 -30.8638 -217.013 -30.8648 -326.926 3.29506 -217.011 3.296 262.001 GPRESSURE: 2470400 4.70461 29.7047 -197.764 -46.8245 -314.389 43.1098 -169.466 -18.9631 273.069 PRESSAVG: 2470400 -22.4596 -14.1833 -35.064 -14.1832 -45.8817 -38.3348 -35.064 -38.3348 81.8105 GPRESSAVG: 2470400 -23.4462 -12.349 -33.3091 -15.3521 -44.4763 -40.3489 -34.6681 -35.4204 81.6131 TIMING: 2470400 CPU: 7371.3, 0.00296544/step Wall: 7371.3, 0.00296544/step, 2.08372 hours remaining, 206.714844 MB of memory in use. ENERGY: 2470400 738.9196 2074.2734 1948.6643 101.5590 -206318.5210 17765.6567 0.0000 0.0000 34084.0188 -149605.4291 297.6642 -183689.4480 -149513.2139 297.0694 -45.0924 -12.2053 556796.3316 4.4897 4.5635 PRESSURE: 2470600 -60.0564 -32.9433 -62.515 -32.9424 41.6894 137.364 -62.5155 137.363 111.769 GPRESSURE: 2470600 57.979 -74.9163 -89.4803 -18.5184 24.3799 194.333 25.4321 82.1989 106.442 PRESSAVG: 2470600 27.0619 -36.2263 -16.8394 -36.2263 -52.4621 -21.1156 -16.8393 -21.1157 16.9275 GPRESSAVG: 2470600 26.4071 -36.3004 -19.3358 -36.722 -52.9163 -19.1795 -16.6945 -23.5844 18.0649 TIMING: 2470600 CPU: 7371.9, 0.00297334/step Wall: 7371.9, 0.00297334/step, 2.0891 hours remaining, 206.714844 MB of memory in use. ENERGY: 2470600 707.9267 2132.9054 1947.5261 101.2758 -206287.8670 17867.8736 0.0000 0.0000 33928.3353 -149602.0241 296.3046 -183530.3595 -149513.1098 297.9908 31.1339 62.9337 557835.2848 -2.8242 -2.8148 PRESSURE: 2470800 -131.616 128.453 -51.0242 128.453 137.758 -82.4198 -51.0248 -82.421 31.4351 GPRESSURE: 2470800 -93.1763 150.274 -99.6741 64.9832 144.053 -10.8522 -99.837 -74.4717 74.8174 PRESSAVG: 2470800 -71.4273 -58.9578 10.1549 -58.9579 40.062 12.2939 10.1548 12.2939 41.047 GPRESSAVG: 2470800 -70.8275 -58.6495 10.9458 -59.6196 39.2713 11.0216 9.66929 14.413 41.5308 TIMING: 2470800 CPU: 7372.49, 0.00298743/step Wall: 7372.49, 0.00298743/step, 2.09884 hours remaining, 206.714844 MB of memory in use. ENERGY: 2470800 708.2195 2073.5132 1918.8231 105.2414 -206561.3558 17965.3139 0.0000 0.0000 34217.8992 -149572.3455 298.8334 -183790.2448 -149472.2189 297.7943 12.5258 41.8979 557804.1108 3.2272 3.3249 PRESSURE: 2471000 84.4046 -67.0842 -11.3584 -67.083 92.8367 -49.3068 -11.3578 -49.3073 -16.6439 GPRESSURE: 2471000 95.4289 -2.92027 -94.9568 17.4259 119.57 -13.262 21.5625 -96.2375 34.8989 PRESSAVG: 2471000 6.98375 36.8767 -6.2767 36.8767 -3.3993 -0.377547 -6.27671 -0.377561 -5.10851 GPRESSAVG: 2471000 6.79994 34.4702 -5.77477 39.6798 -2.53113 -0.577516 -7.39469 -4.02432 -5.55534 TIMING: 2471000 CPU: 7373.09, 0.00299093/step Wall: 7373.09, 0.00299093/step, 2.10113 hours remaining, 206.714844 MB of memory in use. ENERGY: 2471000 718.6663 2085.2173 1959.0824 110.4044 -206728.4263 18123.5765 0.0000 0.0000 34172.5827 -149558.8967 298.4377 -183731.4794 -149459.6461 297.9933 53.5325 83.2992 558245.0218 -0.5080 -0.4288 PRESSURE: 2471200 -99.7051 -116.209 -12.1131 -116.208 201.976 170.579 -12.1137 170.578 -144.643 GPRESSURE: 2471200 -37.2823 9.72184 -85.9679 -161.426 251.817 184.876 97.4309 131.601 -139.04 PRESSAVG: 2471200 3.01599 7.6691 -23.8516 7.66903 75.7873 41.0476 -23.8517 41.0476 -57.076 GPRESSAVG: 2471200 2.38428 9.35976 -25.9772 6.38019 77.1393 40.2893 -21.6029 43.4048 -57.3457 TIMING: 2471200 CPU: 7373.69, 0.0029897/step Wall: 7373.69, 0.0029897/step, 2.1001 hours remaining, 206.714844 MB of memory in use. ENERGY: 2471200 736.8765 2126.5645 1949.7143 103.1064 -206375.3650 17765.7950 0.0000 0.0000 34291.1878 -149402.1206 299.4735 -183693.3083 -149311.1558 298.5580 -14.1241 25.1648 557843.4554 7.2425 7.3926 PRESSURE: 2471400 94.559 -88.8648 43.5361 -88.8649 -97.7935 39.712 43.5383 39.7116 -59.5204 GPRESSURE: 2471400 198.182 -27.4585 27.6853 -136.22 -102.93 -13.5624 49.5916 83.8704 -64.0517 PRESSAVG: 2471400 -9.65938 -8.04634 -10.5735 -8.04633 46.1732 -25.0713 -10.5735 -25.0712 -17.0684 GPRESSAVG: 2471400 -9.58887 -6.96218 -9.69015 -8.85013 46.5926 -25.9044 -13.4152 -23.934 -17.4473 TIMING: 2471400 CPU: 7374.29, 0.0029805/step Wall: 7374.29, 0.0029805/step, 2.09347 hours remaining, 206.714844 MB of memory in use. ENERGY: 2471400 752.8074 2033.1898 1926.7694 111.1579 -206484.9476 17917.4490 0.0000 0.0000 34371.2263 -149372.3477 300.1725 -183743.5741 -149279.3979 298.9201 -20.9183 10.3999 557872.3275 6.4818 6.5188 PRESSURE: 2471600 -156.199 89.6263 -74.4079 89.6266 -68.486 -45.2647 -74.4074 -45.2626 -102.065 GPRESSURE: 2471600 -107.439 -3.79561 -58.7365 86.742 -74.6292 -99.8918 -82.3845 -46.6242 -53.2003 PRESSAVG: 2471600 26.8791 -11.2565 38.2855 -11.2564 -28.2015 5.50035 38.2855 5.50032 14.2985 GPRESSAVG: 2471600 27.5735 -11.8701 39.7666 -10.6789 -30.7049 5.98119 39.1675 4.03277 15.8237 TIMING: 2471600 CPU: 7374.87, 0.00293783/step Wall: 7374.87, 0.00293783/step, 2.06334 hours remaining, 206.714844 MB of memory in use. ENERGY: 2471600 741.7973 2071.9709 1913.9504 96.3320 -206063.4204 17590.5259 0.0000 0.0000 34484.4908 -149164.3531 301.1616 -183648.8439 -149068.8907 299.3178 -108.9166 -78.4229 557595.8205 4.3254 4.2308 PRESSURE: 2471800 12.6199 -35.9481 144.515 -35.9487 -223.681 -114.182 144.515 -114.181 -284.919 GPRESSURE: 2471800 32.0236 -48.1239 145.001 4.80987 -212.375 -119.123 117.291 -104.377 -213.982 PRESSAVG: 2471800 20.9177 26.3107 37.9435 26.3108 -33.5622 2.76109 37.9434 2.76128 29.2242 GPRESSAVG: 2471800 19.6188 26.0264 38.4748 27.7879 -31.3426 4.87401 37.1929 1.66133 28.1793 TIMING: 2471800 CPU: 7375.47, 0.00295876/step Wall: 7375.47, 0.00295876/step, 2.07787 hours remaining, 206.714844 MB of memory in use. ENERGY: 2471800 751.4034 2124.7940 1905.3249 111.6117 -205804.3937 17518.7384 0.0000 0.0000 34280.5290 -149111.9923 299.3804 -183392.5212 -149018.2710 299.2619 -165.3267 -131.4445 557047.7654 5.5266 5.4852 PRESSURE: 2472000 -172.994 48.8897 129.406 48.8906 110.356 -115.182 129.406 -115.181 7.82459 GPRESSURE: 2472000 -131.847 39.392 170.405 -2.59779 214.744 -221.233 125.449 -8.86623 -31.3749 PRESSAVG: 2472000 -52.1063 15.6165 -22.2298 15.6164 -2.60538 -17.9848 -22.2298 -17.9848 48.0203 GPRESSAVG: 2472000 -52.0986 15.4658 -22.1634 14.1094 -2.27511 -20.3139 -21.0522 -17.259 47.9158 TIMING: 2472000 CPU: 7376.06, 0.0029696/step Wall: 7376.06, 0.0029696/step, 2.08532 hours remaining, 206.714844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2472000 743.0302 2090.2205 1933.9130 116.7482 -205974.1997 17791.9961 0.0000 0.0000 34319.0098 -148979.2821 299.7164 -183298.2918 -148878.1478 300.2065 -18.2709 17.1741 557232.4462 -2.2305 -2.1526 PRESSURE: 2472200 -50.1573 122.925 -20.5334 122.924 -30.6302 72.4324 -20.5324 72.4308 -31.5475 GPRESSURE: 2472200 -46.6608 39.0575 -44.2947 116.679 69.0479 20.5873 -35.494 108.446 -35.2631 PRESSAVG: 2472200 10.5952 -15.4732 6.08336 -15.4731 7.64131 -10.6829 6.08343 -10.6828 -20.2524 GPRESSAVG: 2472200 11.1662 -16.8172 4.18313 -14.1364 6.76262 -9.9724 6.14181 -9.85405 -20.0286 TIMING: 2472200 CPU: 7376.65, 0.00296008/step Wall: 7376.65, 0.00296008/step, 2.07847 hours remaining, 206.714844 MB of memory in use. ENERGY: 2472200 770.3124 2114.2290 1924.6555 111.1088 -206271.9253 17891.3836 0.0000 0.0000 34460.7753 -148999.4606 300.9545 -183460.2359 -148904.3436 300.5060 -37.4450 -4.2920 557176.0876 -0.6720 -0.6999 LDB: ============= START OF LOAD BALANCING ============== 7380.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7380.2 LDB: =============== DONE WITH MIGRATION ================ 7380.2 LDB: ============= START OF LOAD BALANCING ============== 7380.5 LDB: Largest compute 4773 load 0.025811 is 21.8% of average load 0.118224 LDB: Average compute 0.001741 is 1.5% of average load 0.118224 LDB: TIME 7380.5 LOAD: AVG 0.118224 MAX 0.201598 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 7380.5 LOAD: AVG 0.118224 MAX 0.201598 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.918 MB LDB: TIME 7380.5 LOAD: AVG 0.118224 MAX 0.201598 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.918 MB LDB: ============== END OF LOAD BALANCING =============== 7380.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7380.51 PRESSURE: 2472400 288.268 117.247 96.2733 117.246 475.47 12.5996 96.2726 12.6002 5.55668 GPRESSURE: 2472400 281.109 151.143 96.8246 52.5941 498.708 4.55135 34.8935 -10.4512 79.7816 PRESSAVG: 2472400 40.1291 6.93593 -86.454 6.93592 -23.4789 26.0486 -86.4541 26.0486 -16.0535 GPRESSAVG: 2472400 40.0148 10.3763 -85.2814 3.57404 -23.7031 23.589 -88.3609 27.5133 -16.0891 TIMING: 2472400 CPU: 7377.26, 0.00302651/step Wall: 7377.26, 0.00302651/step, 2.12495 hours remaining, 207.226562 MB of memory in use. ENERGY: 2472400 721.5929 2105.3349 1953.9012 105.4774 -206405.9997 18133.8291 0.0000 0.0000 34524.5395 -148861.3246 301.5114 -183385.8641 -148765.6974 300.2018 256.4316 286.5329 557380.0152 0.1989 0.0742 PRESSURE: 2472600 -46.4735 209.196 21.5732 209.196 -100.965 -202.575 21.5731 -202.576 -119.977 GPRESSURE: 2472600 -20.2924 192.028 -65.7479 167.182 -99.8984 -208.014 114.293 -152.133 -57.5876 PRESSAVG: 2472600 4.07477 -7.11407 -15.4636 -7.11412 43.0787 2.21568 -15.4635 2.21584 -20.7753 GPRESSAVG: 2472600 4.77531 -7.91358 -16.8476 -4.65408 43.0265 2.59592 -13.873 1.05178 -20.9029 TIMING: 2472600 CPU: 7377.85, 0.00295645/step Wall: 7377.85, 0.00295645/step, 2.07559 hours remaining, 207.429688 MB of memory in use. ENERGY: 2472600 708.0969 2075.8887 1945.1694 115.1943 -205992.9125 17743.8871 0.0000 0.0000 34474.4842 -148930.1919 301.0742 -183404.6762 -148826.5983 300.3794 -89.1384 -59.2595 559664.9432 8.7927 8.9663 PRESSURE: 2472800 121.699 134.781 -124.164 134.782 -51.7469 -54.3495 -124.165 -54.3517 -386 GPRESSURE: 2472800 109.977 87.8364 -138.621 133.921 -28.4333 3.18088 -46.4041 -66.8751 -309.334 PRESSAVG: 2472800 -54.8102 3.76754 32.7023 3.76754 46.3361 -7.17792 32.7022 -7.17794 12.5573 GPRESSAVG: 2472800 -55.0808 2.86376 35.2032 4.48315 46.6762 -5.66916 32.6666 -7.83866 12.669 TIMING: 2472800 CPU: 7378.44, 0.00295295/step Wall: 7378.44, 0.00295295/step, 2.07297 hours remaining, 207.429688 MB of memory in use. ENERGY: 2472800 750.3280 2145.3591 1938.1130 116.3666 -206094.8295 17840.4236 0.0000 0.0000 34319.7352 -148984.5040 299.7228 -183304.2392 -148896.0781 299.8756 -105.3493 -75.9302 559040.9618 1.3610 1.4215 PRESSURE: 2473000 -166.902 134.779 64.0326 134.778 61.9167 -56.0552 64.0318 -56.0562 -223.955 GPRESSURE: 2473000 -161.073 166.295 103.193 136.327 81.3361 -32.1976 40.5512 -37.4754 -155.793 PRESSAVG: 2473000 34.884 3.66873 40.6728 3.66875 -7.05664 -15.8353 40.6727 -15.8354 -37.4739 GPRESSAVG: 2473000 33.2743 2.73842 40.8314 3.54899 -6.84504 -15.1336 38.4525 -16.4878 -36.7667 TIMING: 2473000 CPU: 7379.03, 0.00296818/step Wall: 7379.03, 0.00296818/step, 2.0835 hours remaining, 207.429688 MB of memory in use. ENERGY: 2473000 746.9834 2087.3551 1953.3834 107.6157 -206200.9810 17833.2571 0.0000 0.0000 34440.8597 -149031.5266 300.7806 -183472.3863 -148930.9431 300.2155 -109.6466 -78.5102 558566.5132 -3.2155 -3.4458 PRESSURE: 2473200 83.7721 -186.228 -32.1193 -186.228 -385.305 -119.812 -32.1186 -119.812 -275.414 GPRESSURE: 2473200 165.343 -117.686 -28.4628 -223.689 -388.878 -134.518 22.4907 -135.969 -247.863 PRESSAVG: 2473200 28.3001 -14.7536 6.91667 -14.7535 -34.9383 -67.4776 6.91656 -67.4777 18.1949 GPRESSAVG: 2473200 30.7491 -15.3585 3.39501 -16.0214 -35.6189 -67.239 10.791 -67.5037 17.1914 TIMING: 2473200 CPU: 7379.63, 0.00296471/step Wall: 7379.63, 0.00296471/step, 2.0809 hours remaining, 207.429688 MB of memory in use. ENERGY: 2473200 806.8073 2109.9321 1968.5195 115.8827 -206008.9373 17627.5590 0.0000 0.0000 34343.4321 -149036.8046 299.9297 -183380.2367 -148945.6159 300.8150 -192.3155 -157.1326 558919.7483 3.8522 4.1072 PRESSURE: 2473400 -116.816 -255.483 -150.844 -255.481 73.6878 -14.9099 -150.843 -14.9093 -259.095 GPRESSURE: 2473400 -81.4585 -234.975 -110.319 -188.225 74.414 6.25236 -182.256 -110.577 -201.071 PRESSAVG: 2473400 46.8118 -71.8086 -64.4867 -71.8086 -60.0615 -66.1103 -64.4867 -66.1102 4.98116 GPRESSAVG: 2473400 46.2368 -70.2938 -64.1523 -70.9042 -59.1369 -66.4834 -65.7476 -64.3641 4.57535 TIMING: 2473400 CPU: 7380.21, 0.00294714/step Wall: 7380.21, 0.00294714/step, 2.0684 hours remaining, 207.429688 MB of memory in use. ENERGY: 2473400 720.0842 2124.0284 1916.8241 112.2032 -205798.5748 17631.2165 0.0000 0.0000 34250.5500 -149043.6684 299.1186 -183294.2184 -148947.5111 299.7011 -100.7410 -69.3718 558450.2037 -2.7562 -2.7749 PRESSURE: 2473600 -349.134 80.6868 -34.6719 80.6874 -117.455 143.702 -34.6708 143.701 -427.663 GPRESSURE: 2473600 -284.045 140.658 -44.9357 16.1389 -60.7695 264.555 -114.309 134.895 -459.791 PRESSAVG: 2473600 -68.6249 7.95881 -48.6703 7.95876 -9.46886 -24.2711 -48.6704 -24.2711 49.9725 GPRESSAVG: 2473600 -68.3554 7.89962 -46.6891 7.79083 -9.97084 -24.2128 -48.5655 -24.1888 50.8319 TIMING: 2473600 CPU: 7380.81, 0.00296004/step Wall: 7380.81, 0.00296004/step, 2.07729 hours remaining, 207.429688 MB of memory in use. ENERGY: 2473600 792.3692 2129.9804 1951.8057 120.3413 -206166.3063 17573.2349 0.0000 0.0000 34385.5170 -149213.0578 300.2973 -183598.5749 -149128.0596 299.7453 -298.0840 -268.2017 557838.8981 -9.3738 -9.1648 PRESSURE: 2473800 -60.558 29.8617 80.8587 29.8609 208.91 -10.452 80.8592 -10.4511 12.525 GPRESSURE: 2473800 -19.2637 -23.8738 -49.8726 84.9328 245.088 60.8592 199.423 -22.6969 28.4422 PRESSAVG: 2473800 -15.9589 32.963 -12.0738 32.963 25.7399 -11.7565 -12.0737 -11.7566 14.96 GPRESSAVG: 2473800 -16.3407 33.3175 -12.4092 32.0592 25.9093 -10.7089 -13.1226 -12.1798 15.4252 TIMING: 2473800 CPU: 7381.41, 0.00300077/step Wall: 7381.41, 0.00300077/step, 2.10571 hours remaining, 207.429688 MB of memory in use. ENERGY: 2473800 759.7214 2129.3915 1938.9969 120.5269 -206436.6584 17821.2868 0.0000 0.0000 34346.3126 -149320.4223 299.9549 -183666.7349 -149217.9488 299.6769 53.6256 84.7555 556381.2333 8.2470 8.3313 PRESSURE: 2474000 -54.8235 -48.218 94.9196 -48.2179 -122.509 86.8908 94.919 86.8887 -25.2322 GPRESSURE: 2474000 -23.3266 32.3948 37.1051 -139.25 -102.506 53.7012 162.029 66.839 33.7759 PRESSAVG: 2474000 49.8819 -31.6767 -30.5905 -31.6767 24.6896 -9.43047 -30.5906 -9.43043 -37.3979 GPRESSAVG: 2474000 50.6736 -31.8832 -31.928 -30.4222 24.1348 -7.15976 -25.9334 -11.2909 -38.0246 TIMING: 2474000 CPU: 7382, 0.00297995/step Wall: 7382, 0.00297995/step, 2.09093 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2474000 766.9257 2124.6217 1915.8286 109.2413 -206360.6758 17804.1986 0.0000 0.0000 34207.7914 -149432.0685 298.7452 -183639.8599 -149341.1141 298.4675 -67.5216 -30.6856 557146.1078 12.3912 12.2613 PRESSURE: 2474200 4.3496 30.737 196.074 30.7374 -28.2978 -72.0243 196.074 -72.0239 -276.847 GPRESSURE: 2474200 15.4527 54.8391 147.708 10.0024 -8.15268 -41.8966 176.209 -116.848 -217.237 PRESSAVG: 2474200 -20.5452 37.8817 56.8459 37.8817 -31.1021 12.5514 56.8458 12.5513 17.1747 GPRESSAVG: 2474200 -21.5235 37.3769 57.8799 37.923 -29.4849 10.03 55.5005 15.1742 17.1435 TIMING: 2474200 CPU: 7382.6, 0.00297798/step Wall: 7382.6, 0.00297798/step, 2.08938 hours remaining, 207.429688 MB of memory in use. ENERGY: 2474200 789.4327 2076.9548 1895.1228 113.6870 -206472.8774 17893.9824 0.0000 0.0000 34312.3437 -149391.3540 299.6582 -183703.6977 -149284.6082 299.0402 -100.2650 -69.9790 557072.2082 -11.4909 -11.2883 PRESSURE: 2474400 -25.6227 162.385 125.998 162.386 -329.675 -72.821 125.999 -72.8217 -129.353 GPRESSURE: 2474400 -10.371 83.9807 149.459 150.423 -327.475 -94.274 86.0597 -15.4672 -58.1748 PRESSAVG: 2474400 26.3412 8.71359 -3.26711 8.71362 -15.9388 8.29687 -3.26705 8.2968 -8.69201 GPRESSAVG: 2474400 26.2543 9.16286 -5.0109 5.65509 -16.5279 6.14787 -4.27702 8.47083 -8.72813 TIMING: 2474400 CPU: 7383.2, 0.00300655/step Wall: 7383.2, 0.00300655/step, 2.10926 hours remaining, 207.429688 MB of memory in use. ENERGY: 2474400 770.3522 2143.3352 1922.8324 109.5303 -205968.1257 17465.5033 0.0000 0.0000 34100.1893 -149456.3830 297.8054 -183556.5723 -149357.8730 298.4099 -161.5502 -132.0070 558730.6471 0.5701 0.3328 PRESSURE: 2474600 374.599 103.12 16.1101 103.121 362.507 -61.139 16.1091 -61.1382 97.627 GPRESSURE: 2474600 358.645 130.031 79.1132 84.4708 392.436 -15.1574 -99.3462 5.43268 168.447 PRESSAVG: 2474600 -54.6932 -24.3453 4.09177 -24.3453 -1.61626 -19.5983 4.09171 -19.5983 51.9657 GPRESSAVG: 2474600 -54.2472 -23.5307 6.68654 -21.99 -2.48942 -17.3937 2.63586 -19.1625 52.2876 TIMING: 2474600 CPU: 7383.79, 0.00294497/step Wall: 7383.79, 0.00294497/step, 2.0659 hours remaining, 207.429688 MB of memory in use. ENERGY: 2474600 731.0249 2097.9008 1938.5717 124.3355 -206738.4345 18138.6555 0.0000 0.0000 34329.9952 -149377.9507 299.8124 -183707.9459 -149286.7255 300.1284 278.2444 306.5092 555546.4637 -1.4479 -1.4830 PRESSURE: 2474800 293.75 8.08197 57.598 8.08339 71.232 85.186 57.5979 85.186 -122.561 GPRESSURE: 2474800 341.496 15.9053 -11.4367 27.2973 89.1301 35.0408 74.465 133.475 -99.1786 PRESSAVG: 2474800 6.13467 6.20931 -19.6164 6.20932 2.06323 24.4112 -19.6163 24.4111 4.33032 GPRESSAVG: 2474800 6.88654 5.5801 -21.2884 6.34538 1.23115 24.3106 -18.4385 22.3459 3.98632 TIMING: 2474800 CPU: 7384.38, 0.0029651/step Wall: 7384.38, 0.0029651/step, 2.07985 hours remaining, 207.429688 MB of memory in use. ENERGY: 2474800 766.9993 2159.2125 1912.8621 124.6517 -206360.6790 17886.9402 0.0000 0.0000 34219.9481 -149290.0651 298.8513 -183510.0132 -149192.8650 298.8711 80.8070 110.4826 556733.5769 4.1761 4.0347 PRESSURE: 2475000 -51.2874 -128.378 16.9252 -128.379 -11.6496 -18.6591 16.9243 -18.6598 -120.053 GPRESSURE: 2475000 -16.8843 -139.356 123.411 -181.812 25.5386 67.2241 -64.0932 -69.0312 -115.36 PRESSAVG: 2475000 8.84698 37.6299 0.215521 37.6299 4.76376 12.1141 0.215545 12.114 -2.7375 GPRESSAVG: 2475000 7.90174 38.8546 1.69257 37.8905 5.80253 12.3075 1.56368 13.1722 -3.24068 TIMING: 2475000 CPU: 7384.98, 0.00298896/step Wall: 7384.98, 0.00298896/step, 2.09642 hours remaining, 207.429688 MB of memory in use. ENERGY: 2475000 798.7477 2124.7369 1950.1934 118.3661 -206077.9223 17761.5759 0.0000 0.0000 34090.5993 -149233.7030 297.7217 -183324.3023 -149136.0156 299.3995 -60.9965 -35.5686 557410.4501 3.6244 3.4879 PRESSURE: 2475200 -100.216 142.332 27.1789 142.332 -79.7933 86.9289 27.1799 86.9296 -240.128 GPRESSURE: 2475200 -74.4253 155.873 21.2463 132.21 -44.2468 100.194 -35.7681 6.83496 -216.615 PRESSAVG: 2475200 58.1089 25.6543 15.1098 25.6542 -7.88858 -13.3257 15.1097 -13.3256 -64.3969 GPRESSAVG: 2475200 57.6885 22.8064 14.0253 26.4624 -8.64451 -15.5646 14.0551 -12.2596 -63.6108 TIMING: 2475200 CPU: 7385.58, 0.00297614/step Wall: 7385.58, 0.00297614/step, 2.08727 hours remaining, 207.429688 MB of memory in use. ENERGY: 2475200 776.8492 2062.4533 1920.3017 122.7573 -206288.1030 17705.1852 0.0000 0.0000 34468.5228 -149232.0334 301.0222 -183700.5563 -149134.8799 299.4983 -140.0459 -111.7622 557002.3950 -4.7255 -4.8556 PRESSURE: 2475400 104.868 -135.162 46.9062 -135.162 26.8036 -62.5662 46.9064 -62.5649 87.5249 GPRESSURE: 2475400 106.247 -80.1724 77.4703 -98.3081 60.3184 18.2099 54.1121 -82.5192 143.343 PRESSAVG: 2475400 23.0727 34.7312 19.0038 34.7313 -4.52435 -30.2128 19.0038 -30.2128 19.8308 GPRESSAVG: 2475400 22.9017 36.7789 19.0639 34.0781 -2.7274 -27.6936 17.8016 -35.4885 18.2076 TIMING: 2475400 CPU: 7386.17, 0.0029681/step Wall: 7386.17, 0.0029681/step, 2.08146 hours remaining, 207.429688 MB of memory in use. ENERGY: 2475400 772.1788 2136.2307 1929.4535 126.5553 -206417.0509 18005.0449 0.0000 0.0000 34133.7919 -149313.7958 298.0989 -183447.5877 -149218.2701 299.6504 73.0655 103.3028 556735.1514 12.7931 12.7940 PRESSURE: 2475600 56.9329 48.5024 125.486 48.5023 45.6957 -94.6023 125.487 -94.603 168.696 GPRESSURE: 2475600 98.7077 55.3422 55.4548 89.3763 3.29914 -122.289 141.661 -88.5319 251.053 PRESSAVG: 2475600 -28.0951 -22.0725 -1.11081 -22.0726 3.32904 -43.6056 -1.11081 -43.6057 39.1922 GPRESSAVG: 2475600 -29.1154 -22.8858 -0.640667 -21.7 2.78337 -43.5194 0.26876 -42.1655 40.3907 TIMING: 2475600 CPU: 7386.76, 0.0029787/step Wall: 7386.76, 0.0029787/step, 2.08873 hours remaining, 207.429688 MB of memory in use. ENERGY: 2475600 774.4522 2133.2227 1948.8687 102.1615 -206192.0242 17997.7275 0.0000 0.0000 34057.0597 -149178.5319 297.4288 -183235.5916 -149074.4869 299.2273 90.4414 117.6868 557916.9620 4.8087 4.6862 PRESSURE: 2475800 -188.55 -64.7197 4.84143 -64.7215 -82.8082 90.8234 4.83973 90.8231 45.4703 GPRESSURE: 2475800 -222.024 -80.5434 23.8911 -36.1703 5.35168 128.713 4.82861 68.4404 87.9523 PRESSAVG: 2475800 33.5893 52.0801 53.5971 52.0801 33.0739 10.081 53.597 10.0809 -27.0163 GPRESSAVG: 2475800 34.4301 53.0225 52.6029 50.3353 33.1418 7.76127 53.033 11.5856 -27.7587 TIMING: 2475800 CPU: 7387.35, 0.00294827/step Wall: 7387.35, 0.00294827/step, 2.06723 hours remaining, 207.429688 MB of memory in use. ENERGY: 2475800 726.4940 2115.8210 1943.8782 113.6729 -206085.4481 17785.9808 0.0000 0.0000 34066.7462 -149332.8550 297.5134 -183399.6012 -149230.3268 298.1207 -75.2961 -42.9068 558176.6518 13.2156 13.2711 PRESSURE: 2476000 57.3611 182.659 -92.9471 182.661 27.7764 -28.5553 -92.9471 -28.5562 172.307 GPRESSURE: 2476000 47.9064 193.085 -95.8105 268.251 41.4638 -71.7738 -20.1539 -2.51716 272.459 PRESSAVG: 2476000 24.2968 15.3607 -68.3769 15.3607 11.7533 -68.4536 -68.3769 -68.4536 -58.4486 GPRESSAVG: 2476000 24.4793 15.5839 -69.389 17.1435 12.5312 -66.5302 -68.4298 -69.2746 -59.2199 TIMING: 2476000 CPU: 7387.95, 0.00296005/step Wall: 7387.95, 0.00296005/step, 2.07532 hours remaining, 207.429688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2476000 750.7293 2075.4889 1925.0266 108.3021 -206762.6769 18155.2769 0.0000 0.0000 34240.0268 -149507.8262 299.0267 -183747.8531 -149406.1753 298.2504 85.8150 120.6099 556998.1890 -7.4662 -7.4031 PRESSURE: 2476200 -173.568 -95.7754 74.1165 -95.7747 226.915 -107.639 74.1164 -107.639 98.0533 GPRESSURE: 2476200 -79.4474 -136.009 51.5602 -104.019 239.497 -131.336 115.291 -82.6884 97.3463 PRESSAVG: 2476200 11.3542 59.7288 -45.8303 59.7287 -9.9491 8.75051 -45.8303 8.75047 35.5637 GPRESSAVG: 2476200 11.0255 59.5194 -45.9367 56.3918 -10.7312 6.73518 -45.6746 10.1303 36.5214 TIMING: 2476200 CPU: 7388.54, 0.0029708/step Wall: 7388.54, 0.0029708/step, 2.0827 hours remaining, 207.429688 MB of memory in use. ENERGY: 2476200 732.6619 2134.9926 1933.1109 111.1966 -206474.7228 17989.5952 0.0000 0.0000 34259.3547 -149313.8110 299.1955 -183573.1657 -149204.3411 298.5952 50.4669 85.7986 558267.5543 12.3229 12.2719 LDB: ============= START OF LOAD BALANCING ============== 7392.08 LDB: ============== END OF LOAD BALANCING =============== 7392.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7392.09 LDB: ============= START OF LOAD BALANCING ============== 7392.38 LDB: Largest compute 4773 load 0.027328 is 23.1% of average load 0.118209 LDB: Average compute 0.001752 is 1.5% of average load 0.118209 LDB: TIME 7392.39 LOAD: AVG 0.118209 MAX 0.203804 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.16 MB LDB: TIME 7392.39 LOAD: AVG 0.118209 MAX 0.203804 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.16 MB LDB: TIME 7392.39 LOAD: AVG 0.118209 MAX 0.203804 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.16 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7392.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7392.39 PRESSURE: 2476400 -6.28859 -111.863 140.553 -111.863 23.4736 -304.155 140.552 -304.156 18.7205 GPRESSURE: 2476400 1.00727 -147.358 105.703 -89.5063 70.1213 -269.544 94.8719 -204.102 72.5948 PRESSAVG: 2476400 -53.1129 -47.0141 -60.945 -47.0141 6.38432 -43.2216 -60.945 -43.2215 23.3028 GPRESSAVG: 2476400 -53.3419 -45.9126 -62.071 -45.6616 5.29959 -42.6816 -60.6942 -42.0558 24.1037 TIMING: 2476400 CPU: 7389.14, 0.00301251/step Wall: 7389.14, 0.00301251/step, 2.11177 hours remaining, 207.417969 MB of memory in use. ENERGY: 2476400 775.8618 2105.0166 1932.4937 108.6580 -206319.0551 17934.5295 0.0000 0.0000 34145.9223 -149316.5731 298.2048 -183462.4954 -149224.2096 298.5396 11.9685 47.9078 557014.5034 -7.8086 -7.9796 PRESSURE: 2476600 19.7185 54.5934 34.2516 54.5941 17.7536 107.096 34.2517 107.097 -182.81 GPRESSURE: 2476600 69.1741 119.524 19.0519 111.222 20.494 152.82 50.084 51.1461 -134.655 PRESSAVG: 2476600 -63.9904 6.93394 27.362 6.93402 27.7793 -24.9213 27.3621 -24.9212 31.3139 GPRESSAVG: 2476600 -63.9109 4.8275 29.9198 8.01835 27.989 -26.0036 27.1058 -24.1267 30.4343 TIMING: 2476600 CPU: 7389.73, 0.00294579/step Wall: 7389.73, 0.00294579/step, 2.06483 hours remaining, 207.621094 MB of memory in use. ENERGY: 2476600 712.8827 2137.8361 1936.1954 112.6751 -205935.6463 17621.6018 0.0000 0.0000 34133.6898 -149280.7654 298.0980 -183414.4553 -149185.9374 299.4644 -48.4459 -14.9957 556547.5230 -1.6324 -1.8292 PRESSURE: 2476800 8.15671 -16.2397 -70.7668 -16.2397 -302.167 -3.6335 -70.7665 -3.63277 -91.1861 GPRESSURE: 2476800 37.3722 19.8554 39.6765 -31.9036 -301.114 27.2535 -157.185 22.487 -29.588 PRESSAVG: 2476800 9.86161 -29.9566 22.4107 -29.9566 27.945 -0.0662563 22.4108 -0.066314 -27.8875 GPRESSAVG: 2476800 8.45502 -29.7227 21.7093 -28.8757 28.2094 3.46107 21.7739 -3.91283 -27.2843 TIMING: 2476800 CPU: 7390.33, 0.00297023/step Wall: 7390.33, 0.00297023/step, 2.0818 hours remaining, 207.621094 MB of memory in use. ENERGY: 2476800 754.2793 2080.4463 1939.6704 110.2543 -206182.4651 17783.1079 0.0000 0.0000 34235.0083 -149279.6985 298.9828 -183514.7069 -149185.7937 299.0793 -128.3988 -97.7767 557621.8006 3.3064 3.1267 PRESSURE: 2477000 66.1389 31.985 -0.25557 31.9854 80.2896 45.6043 -0.254967 45.6037 -36.6233 GPRESSURE: 2477000 91.8153 49.2047 3.48539 109.83 138.956 63.5645 -33.8621 89.3182 -15.6994 PRESSAVG: 2477000 12.3167 -44.7794 88.5432 -44.7794 3.86291 40.6949 88.5432 40.6949 -31.2287 GPRESSAVG: 2477000 11.1995 -42.9894 87.3369 -46.6246 5.31715 37.1865 89.7837 45.7168 -31.697 TIMING: 2477000 CPU: 7390.93, 0.00300315/step Wall: 7390.93, 0.00300315/step, 2.10471 hours remaining, 207.621094 MB of memory in use. ENERGY: 2477000 741.7495 2087.7952 1928.4248 117.1109 -206217.7408 17853.1302 0.0000 0.0000 34164.6993 -149324.8309 298.3688 -183489.5302 -149221.6343 298.8893 36.6017 71.6906 556960.1636 -5.0164 -5.0601 PRESSURE: 2477200 44.5213 65.101 -99.5287 65.1026 -290.255 -66.6648 -99.5286 -66.6653 -156.563 GPRESSURE: 2477200 -7.74553 57.3124 -50.7841 131.115 -167.339 -128.28 -141.765 -96.3224 -127.453 PRESSAVG: 2477200 -5.84063 3.55753 6.94434 3.55749 -27.2184 45.2394 6.94441 45.2395 58.6674 GPRESSAVG: 2477200 -4.79499 5.1232 10.657 3.19829 -27.5263 48.0107 6.64206 41.449 57.9321 TIMING: 2477200 CPU: 7391.52, 0.00297164/step Wall: 7391.52, 0.00297164/step, 2.08246 hours remaining, 207.621094 MB of memory in use. ENERGY: 2477200 754.9722 2123.9458 1919.2219 119.9230 -206189.1159 17737.2720 0.0000 0.0000 34363.5010 -149170.2799 300.1050 -183533.7810 -149076.5970 298.9465 -134.0990 -100.8459 558828.5218 8.5361 8.5369 PRESSURE: 2477400 -81.2602 133.999 -46.1894 133.998 116.582 36.561 -46.1899 36.5616 -356.178 GPRESSURE: 2477400 -87.4401 123.208 -118.303 184.813 140.466 47.1406 -8.95946 55.7139 -283.831 PRESSAVG: 2477400 2.41478 -51.6916 26.161 -51.6916 27.7782 19.2534 26.1609 19.2533 -54.8863 GPRESSAVG: 2477400 1.71737 -52.7813 24.853 -50.2824 27.4486 20.1559 27.0011 20.2978 -53.7026 TIMING: 2477400 CPU: 7392.11, 0.00296208/step Wall: 7392.11, 0.00296208/step, 2.0756 hours remaining, 207.621094 MB of memory in use. ENERGY: 2477400 751.0491 2087.1311 1945.3630 115.9905 -206286.7303 17654.2118 0.0000 0.0000 34413.3137 -149319.6712 300.5400 -183732.9848 -149224.2343 299.5475 -106.9521 -76.9350 557976.9622 -8.2311 -8.1789 PRESSURE: 2477600 100.082 -66.629 -124.377 -66.6293 -319.615 -67.6573 -124.376 -67.6571 -137.398 GPRESSURE: 2477600 147.425 -17.5171 -41.7935 -95.9899 -323.306 -68.3269 -176.208 -44.3864 -84.4262 PRESSAVG: 2477600 -33.9497 -80.0751 17.457 -80.0751 14.4808 7.66614 17.4569 7.66614 54.0426 GPRESSAVG: 2477600 -33.0993 -80.4511 16.6709 -81.5724 14.2401 6.08775 16.6026 6.40901 53.5622 TIMING: 2477600 CPU: 7392.7, 0.0029557/step Wall: 7392.7, 0.0029557/step, 2.07096 hours remaining, 207.628906 MB of memory in use. ENERGY: 2477600 735.9569 2123.4184 1937.7728 120.0285 -205903.3062 17489.3498 0.0000 0.0000 34269.3113 -149227.4686 299.2824 -183496.7800 -149127.6467 299.2064 -118.9770 -86.7689 558215.6280 11.5246 11.5677 PRESSURE: 2477800 43.2235 72.3894 105.706 72.389 -72.9288 -129.113 105.706 -129.114 118.414 GPRESSURE: 2477800 109.806 68.2478 127.077 80.3751 -26.1829 -105.675 31.795 -179.326 85.0551 PRESSAVG: 2477800 -19.2234 -44.1818 23.3159 -44.1818 -55.8017 4.7254 23.3159 4.72534 43.6974 GPRESSAVG: 2477800 -19.4032 -44.5858 25.9146 -42.9157 -55.3289 4.46108 19.7578 7.63299 42.88 TIMING: 2477800 CPU: 7393.3, 0.00298251/step Wall: 7393.3, 0.00298251/step, 2.08958 hours remaining, 207.667969 MB of memory in use. ENERGY: 2477800 730.8373 2141.2304 1941.4666 115.5291 -206332.5783 17750.2873 0.0000 0.0000 34400.2365 -149252.9911 300.4258 -183653.2276 -149154.1695 298.6426 29.5696 56.2259 556911.0462 -10.4426 -10.6174 PRESSURE: 2478000 148.132 -64.1646 5.97542 -64.1653 128.912 -29.1597 5.97544 -29.1603 304.575 GPRESSURE: 2478000 181.131 -52.3591 17.0493 -4.20475 191.628 -9.27048 80.8348 -67.4512 310.12 PRESSAVG: 2478000 -51.1017 -4.02815 16.9856 -4.02813 -41.4212 -14.6812 16.9856 -14.6812 84.5292 GPRESSAVG: 2478000 -51.7657 -4.90418 13.5466 -5.13837 -41.3167 -14.0091 18.6793 -16.5286 84.9356 TIMING: 2478000 CPU: 7393.89, 0.00295963/step Wall: 7393.89, 0.00295963/step, 2.07339 hours remaining, 207.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2478000 745.4381 2099.5183 1914.2471 121.6165 -206608.1707 18187.4971 0.0000 0.0000 34422.2825 -149117.5711 300.6184 -183539.8536 -149028.0932 299.9550 193.8732 227.6264 555989.2100 -2.6646 -2.7156 PRESSURE: 2478200 -72.1375 -59.8187 6.84305 -59.8196 166.883 42.0046 6.84314 42.0044 206.336 GPRESSURE: 2478200 14.2086 -44.5151 -26.4958 -69.452 162.241 143.901 95.1866 17.8818 224.248 PRESSAVG: 2478200 -68.8878 -31.4835 46.1926 -31.4836 33.47 -72.0074 46.1925 -72.0074 61.0468 GPRESSAVG: 2478200 -67.9419 -30.853 46.1556 -29.365 32.1023 -70.7099 47.5449 -73.5538 61.4019 TIMING: 2478200 CPU: 7394.49, 0.00296299/step Wall: 7394.49, 0.00296299/step, 2.07558 hours remaining, 207.667969 MB of memory in use. ENERGY: 2478200 715.0463 2087.6558 1958.8863 108.7487 -206200.7264 17809.2653 0.0000 0.0000 34279.2778 -149241.8464 299.3695 -183521.1241 -149142.7521 299.2927 100.3604 133.5660 557151.1676 8.5430 8.5208 PRESSURE: 2478400 -17.8339 -38.4959 79.7727 -38.4955 -79.7839 20.7927 79.7728 20.7915 -293.602 GPRESSURE: 2478400 16.281 -19.7969 82.117 -56.4588 -52.8102 55.5904 73.2429 19.5875 -244.096 PRESSAVG: 2478400 -48.941 -44.4078 41.1022 -44.4078 42.5741 13.5257 41.1023 13.5257 2.27116 GPRESSAVG: 2478400 -50.0462 -43.7024 42.5702 -45.418 44.753 14.1047 39.9556 16.013 1.35374 TIMING: 2478400 CPU: 7395.08, 0.00295382/step Wall: 7395.08, 0.00295382/step, 2.06899 hours remaining, 207.667969 MB of memory in use. ENERGY: 2478400 731.1359 2084.5681 1948.3952 110.3424 -206005.4318 17669.5071 0.0000 0.0000 34341.8389 -149119.6442 299.9158 -183461.4830 -149019.6333 299.4372 -130.4065 -93.5418 559100.8351 -1.3653 -1.3132 PRESSURE: 2478600 -102.338 111.178 115.222 111.178 -32.1526 -94.5227 115.221 -94.5226 -130.009 GPRESSURE: 2478600 -58.5051 67.3475 182.352 124.137 -22.3278 -67.0991 132.817 -160.515 -76.5397 PRESSAVG: 2478600 -9.4293 -7.84884 20.0598 -7.84892 33.9693 -30.4475 20.0598 -30.4476 5.35069 GPRESSAVG: 2478600 -8.46001 -8.25122 20.4501 -8.69485 31.8779 -33.0063 20.0799 -29.6878 6.82138 TIMING: 2478600 CPU: 7395.67, 0.0029493/step Wall: 7395.67, 0.0029493/step, 2.06566 hours remaining, 207.667969 MB of memory in use. ENERGY: 2478600 715.1243 2081.9062 1934.4940 106.9848 -205996.2879 17800.6039 0.0000 0.0000 34268.0848 -149089.0900 299.2717 -183357.1747 -148995.5286 300.1269 -88.1666 -52.4575 559092.7731 9.9636 10.0798 PRESSURE: 2478800 -216.819 -24.4001 60.6176 -24.3993 -17.6944 -106.441 60.6163 -106.44 -136.769 GPRESSURE: 2478800 -198.16 -22.3513 42.4143 36.6849 7.22739 -18.3008 84.3914 -175.144 -101.375 PRESSAVG: 2478800 -28.5313 27.733 40.225 27.7331 -2.11198 4.08369 40.225 4.08365 7.66351 GPRESSAVG: 2478800 -29.0908 28.0956 37.7041 28.2156 -1.3864 5.17123 40.909 4.94154 6.83637 TIMING: 2478800 CPU: 7396.26, 0.00297121/step Wall: 7396.26, 0.00297121/step, 2.08084 hours remaining, 207.667969 MB of memory in use. ENERGY: 2478800 748.5767 2078.6401 1940.7775 110.4210 -205930.4358 17601.6279 0.0000 0.0000 34377.0465 -149073.3461 300.2233 -183450.3926 -148976.2753 300.0687 -123.7609 -97.4359 559970.7583 -7.6599 -7.8803 PRESSURE: 2479000 -116.255 -56.5093 155.408 -56.5092 134.766 -40.0549 155.409 -40.0554 -26.8325 GPRESSURE: 2479000 -39.6479 -59.4989 79.3306 -53.0824 186.044 -54.3861 76.5495 -35.1452 -58.0913 PRESSAVG: 2479000 37.7357 4.74754 30.3224 4.74747 12.0954 -19.0001 30.3224 -19.0001 7.52406 GPRESSAVG: 2479000 38.1822 4.14365 31.2093 3.62989 12.6629 -18.0532 28.5536 -20.3901 7.11376 TIMING: 2479000 CPU: 7396.85, 0.00295864/step Wall: 7396.85, 0.00295864/step, 2.07187 hours remaining, 207.667969 MB of memory in use. ENERGY: 2479000 708.3595 2076.1414 1946.4069 106.0471 -206006.4224 17740.5941 0.0000 0.0000 34439.2608 -148989.6126 300.7666 -183428.8734 -148885.9066 300.5455 -2.7738 29.4350 557717.3044 19.1184 19.3196 PRESSURE: 2479200 34.1155 29.0724 19.6387 29.0723 -31.5707 -172.302 19.6385 -172.3 -178.113 GPRESSURE: 2479200 110.014 -15.4198 119.691 56.0557 -20.1561 -126.338 -8.04433 -263.379 -160.8 PRESSAVG: 2479200 -37.042 23.2686 62.8952 23.2686 3.80095 -68.3115 62.8952 -68.3115 7.61066 GPRESSAVG: 2479200 -36.8048 23.0576 63.3624 24.6267 3.43906 -70.0692 63.1741 -67.4177 7.53632 TIMING: 2479200 CPU: 7397.44, 0.0029415/step Wall: 7397.44, 0.0029415/step, 2.0597 hours remaining, 207.667969 MB of memory in use. ENERGY: 2479200 722.1162 2098.4964 1936.6309 111.8394 -206182.8048 17742.8159 0.0000 0.0000 34554.3883 -149016.5177 301.7721 -183570.9060 -148925.5644 299.6275 -58.5228 -23.6474 556423.6902 -8.5435 -8.6098 PRESSURE: 2479400 -22.283 -8.45446 56.9798 -8.45432 -66.0504 -35.264 56.9785 -35.2642 -9.73359 GPRESSURE: 2479400 -11.8872 -23.1224 -17.8699 13.8078 -0.816644 42.8284 115.456 -51.8053 6.65577 PRESSAVG: 2479400 -23.6373 5.78262 82.6335 5.78264 46.5427 -62.7608 82.6334 -62.7608 -25.1327 GPRESSAVG: 2479400 -23.3136 4.54071 83.3789 4.55448 46.5662 -61.2773 83.8344 -65.6419 -25.266 TIMING: 2479400 CPU: 7398.03, 0.00296679/step Wall: 7398.03, 0.00296679/step, 2.07725 hours remaining, 207.667969 MB of memory in use. ENERGY: 2479400 737.5700 2088.8834 1928.4677 116.3191 -206062.4180 17901.7559 0.0000 0.0000 34203.9805 -149085.4416 298.7119 -183289.4220 -148988.8423 299.4041 -32.6890 -2.0160 558870.3883 -0.7424 -0.6711 PRESSURE: 2479600 -380.408 -209.172 9.16229 -209.172 -394.882 -119.153 9.16193 -119.153 -181.505 GPRESSURE: 2479600 -306.263 -243.277 -59.2387 -161.357 -389.663 -50.3889 161.422 -234.605 -159.321 PRESSAVG: 2479600 28.6896 14.5582 28.8071 14.5582 -36.7387 -92.3021 28.8071 -92.302 11.3118 GPRESSAVG: 2479600 27.95 13.7775 27.2285 16.1724 -36.8919 -91.1212 28.8147 -90.477 12.2389 TIMING: 2479600 CPU: 7398.63, 0.00298624/step Wall: 7398.63, 0.00298624/step, 2.0907 hours remaining, 207.667969 MB of memory in use. ENERGY: 2479600 735.5720 2091.8827 1911.0287 110.7489 -205573.5218 17266.7246 0.0000 0.0000 34346.5990 -149110.9658 299.9574 -183457.5648 -149011.8264 298.6982 -318.9317 -285.0826 558713.4698 1.0876 1.0990 PRESSURE: 2479800 -236.76 11.3679 -76.2758 11.3687 -94.4904 -208.863 -76.2742 -208.863 -257.793 GPRESSURE: 2479800 -198.603 25.2835 -64.797 27.8195 -54.0798 -174.024 -99.7515 -191.046 -238.181 PRESSAVG: 2479800 39.6488 -2.9842 -24.7903 -2.98417 -10.6728 25.4602 -24.7902 25.4602 -19.6411 GPRESSAVG: 2479800 40.0008 -1.36311 -21.93 -4.78214 -10.5503 23.7125 -24.4148 24.7491 -20.4016 TIMING: 2479800 CPU: 7399.23, 0.00298451/step Wall: 7399.23, 0.00298451/step, 2.08932 hours remaining, 207.667969 MB of memory in use. ENERGY: 2479800 733.9825 2100.5912 1941.3904 128.2613 -205546.3453 17443.8542 0.0000 0.0000 34055.2769 -149142.9889 297.4132 -183198.2657 -149049.9843 299.6695 -196.3476 -163.6210 557126.0502 3.1116 3.0163 PRESSURE: 2480000 34.4306 117.77 -73.4359 117.77 79.1126 -87.3202 -73.4361 -87.3204 -99.1015 GPRESSURE: 2480000 62.3371 110.196 -63.6722 72.2112 134.323 -29.864 -67.0077 -85.1956 -75.1876 PRESSAVG: 2480000 -15.2678 6.94055 -14.394 6.94052 -62.2079 -40.2302 -14.394 -40.2302 20.3541 GPRESSAVG: 2480000 -13.6456 6.63652 -15.7137 6.81502 -62.5951 -41.002 -15.3135 -38.4349 19.3288 TIMING: 2480000 CPU: 7399.82, 0.00297451/step Wall: 7399.82, 0.00297451/step, 2.08216 hours remaining, 207.667969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2480000 721.2364 2144.8271 1927.6684 111.0417 -206466.1179 17843.0412 0.0000 0.0000 34324.9921 -149393.3110 299.7687 -183718.3031 -149291.4142 299.2054 4.8139 40.4909 555773.8698 -19.0405 -18.9706 PRESSURE: 2480200 -326.933 -23.0217 197.99 -23.0229 -35.8091 43.4813 197.99 43.4801 -189.648 GPRESSURE: 2480200 -330.671 5.25512 88.7572 -17.2777 -10.3084 54.7837 226.686 21.3959 -116.923 PRESSAVG: 2480200 -32.6344 -3.97783 -10.4281 -3.97783 -71.6172 12.4228 -10.4281 12.4228 69.5827 GPRESSAVG: 2480200 -34.2268 -4.78136 -11.7408 -2.36461 -69.7433 14.8972 -8.79349 10.8026 68.931 TIMING: 2480200 CPU: 7400.41, 0.00294269/step Wall: 7400.41, 0.00294269/step, 2.05972 hours remaining, 207.667969 MB of memory in use. ENERGY: 2480200 741.9295 2092.5519 1937.7172 127.4661 -206053.5829 17617.2520 0.0000 0.0000 34142.1064 -149394.5598 298.1715 -183536.6662 -149290.2506 298.4534 -184.1300 -152.6340 557767.2779 -11.5563 -11.6797 LDB: ============= START OF LOAD BALANCING ============== 7403.95 LDB: ============== END OF LOAD BALANCING =============== 7403.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7403.96 LDB: ============= START OF LOAD BALANCING ============== 7404.25 LDB: Largest compute 4773 load 0.026237 is 22.2% of average load 0.118204 LDB: Average compute 0.001754 is 1.5% of average load 0.118204 LDB: TIME 7404.26 LOAD: AVG 0.118204 MAX 0.204516 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 7404.26 LOAD: AVG 0.118204 MAX 0.204516 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.488 MB LDB: TIME 7404.26 LOAD: AVG 0.118204 MAX 0.204516 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7404.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7404.26 PRESSURE: 2480400 -155.79 -10.4397 -5.87392 -10.4387 -14.0282 67.4408 -5.87259 67.4421 -150.614 GPRESSURE: 2480400 -164.363 51.219 -42.4531 -12.5608 32.1424 175.199 31.3146 14.8573 -94.7953 PRESSAVG: 2480400 -23.7038 -6.46918 34.9148 -6.46921 10.7175 60.3241 34.9148 60.3241 19.6367 GPRESSAVG: 2480400 -22.8781 -5.98217 34.4953 -7.55814 9.95675 59.0965 33.9367 59.7289 19.2986 TIMING: 2480400 CPU: 7401.01, 0.00300279/step Wall: 7401.01, 0.00300279/step, 2.10162 hours remaining, 207.535156 MB of memory in use. ENERGY: 2480400 761.1534 2064.6688 1921.7922 109.6891 -206168.6441 17633.9213 0.0000 0.0000 34257.6997 -149419.7197 299.1810 -183677.4194 -149324.7019 298.6249 -106.8109 -75.6719 557168.5824 2.2168 2.1257 PRESSURE: 2480600 -204.291 68.524 -52.2718 68.5232 -68.3022 -28.6517 -52.2711 -28.6513 -93.3 GPRESSURE: 2480600 -200.767 36.7575 -59.2608 65.2395 -70.2916 -25.9789 -37.1215 -115.134 7.24942 PRESSAVG: 2480600 23.7482 -2.06459 -11.0544 -2.06453 -5.98341 55.7587 -11.0545 55.7587 9.09822 GPRESSAVG: 2480600 23.3455 -3.09032 -9.59292 0.273107 -5.73977 55.2423 -11.922 56.523 9.5661 TIMING: 2480600 CPU: 7401.6, 0.00295222/step Wall: 7401.6, 0.00295222/step, 2.06606 hours remaining, 207.738281 MB of memory in use. ENERGY: 2480600 729.4267 2073.0592 1925.6518 122.8876 -206200.8750 17726.7780 0.0000 0.0000 34327.2604 -149295.8113 299.7885 -183623.0717 -149208.8343 298.9110 -121.9646 -87.9364 557736.1291 8.9543 9.0573 PRESSURE: 2480800 -54.3308 -57.7965 -50.9993 -57.7965 80.6208 109.267 -50.9986 109.267 -75.3612 GPRESSURE: 2480800 3.47819 -92.5684 -128.884 39.5751 120.41 90.2057 -190.116 177.164 -76.0352 PRESSAVG: 2480800 13.0641 -16.9128 -17.0291 -16.9128 -26.0573 26.9925 -17.029 26.9924 16.3324 GPRESSAVG: 2480800 12.5016 -16.6469 -17.0582 -17.8679 -26.9236 27.7491 -18.1005 27.4312 17.959 TIMING: 2480800 CPU: 7402.2, 0.00297392/step Wall: 7402.2, 0.00297392/step, 2.08108 hours remaining, 207.738281 MB of memory in use. ENERGY: 2480800 707.3138 2075.2272 1937.5883 115.3398 -206105.5547 17854.3805 0.0000 0.0000 34248.7496 -149166.9555 299.1028 -183415.7051 -149072.7387 299.1491 -16.3571 15.9509 558391.1863 1.1130 1.1790 PRESSURE: 2481000 -134.77 -33.4986 -16.7894 -33.4984 55.9095 49.558 -16.7884 49.5569 -18.9283 GPRESSURE: 2481000 -127.345 -6.26489 -44.674 -49.4864 100.06 -114.436 24.5941 47.8928 21.2828 PRESSAVG: 2481000 -5.91523 -11.5554 3.69199 -11.5553 -56.3724 21.499 3.69207 21.4991 -6.75571 GPRESSAVG: 2481000 -5.7954 -11.004 3.7566 -11.4752 -56.7861 19.1016 5.80273 20.6675 -7.16537 TIMING: 2481000 CPU: 7402.79, 0.0029629/step Wall: 7402.79, 0.00296291/step, 2.07321 hours remaining, 207.738281 MB of memory in use. ENERGY: 2481000 754.9206 2052.4860 1920.8179 96.6621 -206088.0582 17822.8878 0.0000 0.0000 34312.5410 -149127.7427 299.6600 -183440.2838 -149027.8272 299.1269 -32.5961 -2.0008 559419.9986 -23.0144 -23.2490 PRESSURE: 2481200 -84.1148 -49.0929 -33.229 -49.0923 186.418 184.619 -33.2289 184.619 -203.496 GPRESSURE: 2481200 -49.0444 -52.652 -82.5657 33.3458 160.503 117.554 -67.5716 189.843 -128.515 PRESSAVG: 2481200 -33.8483 -113.719 -17.6733 -113.719 33.6651 -10.2819 -17.6733 -10.2818 -41.1416 GPRESSAVG: 2481200 -32.6696 -112.578 -18.87 -114.228 33.2346 -8.94774 -19.2059 -11.4675 -41.8871 TIMING: 2481200 CPU: 7403.39, 0.00299796/step Wall: 7403.39, 0.00299796/step, 2.09757 hours remaining, 207.738281 MB of memory in use. ENERGY: 2481200 748.2765 2065.5220 1936.4621 109.8884 -206357.0661 17855.4813 0.0000 0.0000 34469.2733 -149172.1625 301.0287 -183641.4358 -149068.5664 299.5752 -33.7310 -5.6854 558194.6714 -13.7749 -13.7741 PRESSURE: 2481400 136.438 10.7923 -8.01756 10.7907 85.717 -49.9526 -8.01806 -49.9497 -21.8135 GPRESSURE: 2481400 175.162 20.3719 47.9732 -117.101 126.962 48.7677 11.5548 -94.3174 -7.45288 PRESSAVG: 2481400 6.9131 0.579208 -18.8731 0.579161 -29.5681 28.4621 -18.873 28.4621 25.1772 GPRESSAVG: 2481400 7.4826 -0.613558 -17.5121 1.44423 -29.7984 29.1052 -17.5787 30.5338 24.5789 TIMING: 2481400 CPU: 7403.99, 0.00298969/step Wall: 7403.99, 0.00298969/step, 2.09162 hours remaining, 207.996094 MB of memory in use. ENERGY: 2481400 737.2131 2066.9059 1954.2881 109.6227 -206159.4720 17875.9797 0.0000 0.0000 34303.9934 -149111.4692 299.5853 -183415.4625 -149009.8520 299.0834 66.7803 98.2238 556506.5192 0.8407 0.7544 PRESSURE: 2481600 352.467 -44.8594 5.20693 -44.8591 -277.984 -37.2328 5.2077 -37.2323 -123.508 GPRESSURE: 2481600 363.566 3.38832 -21.4603 23.4639 -204.847 -50.1512 12.8805 57.7009 -112.518 PRESSAVG: 2481600 64.7818 27.3256 31.3247 27.3256 -0.295812 9.09173 31.3247 9.09186 -44.7023 GPRESSAVG: 2481600 63.7825 26.8575 28.7162 27.3998 0.0709062 9.90795 32.6798 8.81531 -43.5153 TIMING: 2481600 CPU: 7404.58, 0.00294844/step Wall: 7404.58, 0.00294844/step, 2.0626 hours remaining, 207.996094 MB of memory in use. ENERGY: 2481600 730.1967 2056.5412 1938.7697 112.2211 -205927.2300 17730.9533 0.0000 0.0000 34295.4028 -149063.1452 299.5103 -183358.5481 -148971.5130 299.2260 -16.3420 15.4004 555819.5201 6.5946 6.7794 PRESSURE: 2481800 21.4059 183.576 -148.018 183.576 -22.7307 1.14615 -148.019 1.14609 192.286 GPRESSURE: 2481800 2.96128 194.146 -40.4777 188.202 52.347 7.46193 -202.928 0.395337 237.366 PRESSAVG: 2481800 59.9567 7.2901 16.074 7.29017 -14.8268 -24.1669 16.0739 -24.1669 -58.3121 GPRESSAVG: 2481800 60.7332 8.27062 17.9902 5.4 -14.493 -25.0914 16.2966 -23.8814 -59.5531 TIMING: 2481800 CPU: 7405.17, 0.00298644/step Wall: 7405.17, 0.00298644/step, 2.08902 hours remaining, 207.996094 MB of memory in use. ENERGY: 2481800 768.1904 2053.9177 1935.5146 108.3839 -205991.0017 17898.2304 0.0000 0.0000 34270.8037 -148955.9611 299.2955 -183226.7648 -148860.0284 299.8205 63.6539 97.5581 555759.1588 -4.3941 -4.4376 PRESSURE: 2482000 -208.19 -86.278 -40.1502 -86.278 -371.018 -32.4138 -40.1504 -32.4134 -100.764 GPRESSURE: 2482000 -160.219 -64.8498 -41.3796 5.41548 -378.012 45.9219 24.8679 -106.999 -45.3892 PRESSAVG: 2482000 12.2129 -21.4233 2.70667 -21.4234 -23.5137 7.50369 2.70668 7.50371 43.7481 GPRESSAVG: 2482000 10.4146 -22.9093 2.37642 -18.6085 -22.4883 7.60649 1.97776 7.43657 44.4887 TIMING: 2482000 CPU: 7405.77, 0.00297915/step Wall: 7405.77, 0.00297915/step, 2.08375 hours remaining, 207.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2482000 762.0976 2075.2463 1913.5165 117.9655 -205365.5620 17416.1848 0.0000 0.0000 34218.9321 -148861.6192 298.8424 -183080.5513 -148759.4967 300.0882 -226.6572 -194.5402 557999.0323 10.8158 10.8050 PRESSURE: 2482200 286.41 55.1843 -7.10626 55.1852 241.434 -36.0894 -7.10635 -36.0894 180.296 GPRESSURE: 2482200 295.373 9.1818 25.2075 96.2292 323.918 14.1333 -96.9174 -77.7875 192.932 PRESSAVG: 2482200 5.34831 -6.94464 39.9474 -6.94459 87.5519 35.5963 39.9475 35.5962 -32.8535 GPRESSAVG: 2482200 6.77757 -4.46429 39.3952 -10.0884 86.1514 36.4156 40.0455 34.5199 -32.9229 TIMING: 2482200 CPU: 7406.36, 0.00295479/step Wall: 7406.36, 0.00295479/step, 2.06655 hours remaining, 207.996094 MB of memory in use. ENERGY: 2482200 749.8725 2091.3237 1947.6209 116.9506 -206350.7836 18145.8975 0.0000 0.0000 34317.5880 -148981.5304 299.7040 -183299.1184 -148888.5136 299.9753 236.0468 270.7414 557661.1610 20.0155 20.0020 PRESSURE: 2482400 323.771 -69.3777 -191.396 -69.3779 41.2227 122.332 -191.395 122.333 76.5338 GPRESSURE: 2482400 331.927 -61.2085 -264.108 -37.822 74.5772 78.068 -121.203 122.753 130.285 PRESSAVG: 2482400 -28.0686 39.9338 36.674 39.9338 13.7183 -16.1955 36.674 -16.1953 5.76202 GPRESSAVG: 2482400 -28.2098 37.5836 35.7069 41.1398 15.004 -15.2388 38.4334 -14.9815 5.52564 TIMING: 2482400 CPU: 7406.95, 0.00296634/step Wall: 7406.95, 0.00296634/step, 2.07446 hours remaining, 207.996094 MB of memory in use. ENERGY: 2482400 726.1295 2133.7529 1928.6953 121.0403 -206623.1959 18249.6208 0.0000 0.0000 34288.8044 -149175.1527 299.4527 -183463.9572 -149083.2330 299.9593 147.1758 178.9298 558674.5999 -2.8628 -2.5600 PRESSURE: 2482600 94.1286 -14.7434 -6.76965 -14.7421 82.384 -142.618 -6.77026 -142.619 -91.2802 GPRESSURE: 2482600 180.157 -25.8602 -58.864 32.3118 66.6476 -172.644 33.3598 -102.436 -71.3605 PRESSAVG: 2482600 -12.9327 4.81179 6.81219 4.81185 8.66226 -30.8247 6.81221 -30.8248 -12.2129 GPRESSAVG: 2482600 -13.1135 4.6989 8.93819 4.08098 8.73196 -32.3156 2.78928 -30.2742 -12.4674 TIMING: 2482600 CPU: 7407.55, 0.00296027/step Wall: 7407.55, 0.00296027/step, 2.07005 hours remaining, 207.996094 MB of memory in use. ENERGY: 2482600 755.7312 2025.1249 1940.8281 114.2062 -206152.5909 17883.5693 0.0000 0.0000 34212.7976 -149220.3336 298.7889 -183433.1312 -149116.0096 299.1934 28.4108 58.4815 557560.5840 -5.4944 -5.6163 PRESSURE: 2482800 28.9363 -9.2169 33.8778 -9.21792 209.482 -121.526 33.8787 -121.526 216.183 GPRESSURE: 2482800 83.6177 -10.2717 31.0024 3.07713 200.375 -97.6442 108.614 -135.176 276.475 PRESSAVG: 2482800 10.1135 1.9479 -17.1615 1.94793 42.352 -39.0501 -17.1616 -39.0501 -20.2353 GPRESSAVG: 2482800 10.9365 1.71931 -18.8814 4.05619 41.3239 -38.9872 -14.7116 -38.8407 -19.7927 TIMING: 2482800 CPU: 7408.14, 0.00296321/step Wall: 7408.14, 0.00296321/step, 2.07194 hours remaining, 207.996094 MB of memory in use. ENERGY: 2482800 751.4980 2075.3547 1958.5465 110.6423 -206721.8912 18087.0455 0.0000 0.0000 34212.7409 -149526.0632 298.7884 -183738.8041 -149432.6289 298.6628 151.5338 186.8226 555718.8620 10.7434 10.8226 PRESSURE: 2483000 -228.262 184.48 69.1643 184.48 60.9201 -116.283 69.1645 -116.284 -190.53 GPRESSURE: 2483000 -166.797 163.039 41.492 209.757 32.1632 -91.9312 126.516 -64.1739 -126.941 PRESSAVG: 2483000 9.06784 8.14502 -27.3616 8.14505 40.3622 11.4551 -27.3615 11.4552 -77.2268 GPRESSAVG: 2483000 8.47742 8.89751 -24.4977 6.82229 39.869 10.9447 -29.0071 13.1042 -76.2436 TIMING: 2483000 CPU: 7408.73, 0.00293199/step Wall: 7408.73, 0.00293199/step, 2.04995 hours remaining, 207.996094 MB of memory in use. ENERGY: 2483000 743.8398 2066.6245 1945.5321 104.9090 -206391.9161 17774.2508 0.0000 0.0000 34157.1106 -149599.6493 298.3025 -183756.7599 -149501.9853 298.6381 -119.2908 -87.1917 557427.0576 -9.2656 -9.2991 PRESSURE: 2483200 -244.011 2.77753 40.8291 2.77606 -30.5705 14.9444 40.8282 14.9439 35.9417 GPRESSURE: 2483200 -168.623 -73.2487 16.204 51.954 10.2435 29.1908 60.557 61.2353 11.624 PRESSAVG: 2483200 -70.1938 -3.11131 -22.2173 -3.11139 66.1868 -5.20488 -22.2172 -5.2048 43.6829 GPRESSAVG: 2483200 -70.1411 -3.12524 -23.6049 -2.67996 67.1506 -2.61061 -22.5522 -7.69316 42.5762 TIMING: 2483200 CPU: 7409.31, 0.00294697/step Wall: 7409.31, 0.00294697/step, 2.06026 hours remaining, 207.996094 MB of memory in use. ENERGY: 2483200 742.2595 2100.5006 1916.0148 103.9178 -206439.8746 17781.2007 0.0000 0.0000 34580.8965 -149215.0846 302.0036 -183795.9811 -149113.8950 298.9635 -79.5467 -48.9185 557145.4342 13.2253 13.1953 PRESSURE: 2483400 8.43628 -32.007 -115.462 -32.0056 -46.1384 168.45 -115.462 168.449 -26.5193 GPRESSURE: 2483400 62.8986 -38.1619 -120.147 -52.7394 -73.2442 140.986 -99.7571 39.204 36.6879 PRESSAVG: 2483400 -26.3994 55.529 -36.38 55.529 51.1878 16.395 -36.3799 16.3951 -20.654 GPRESSAVG: 2483400 -26.0729 54.1906 -37.6727 54.895 50.7187 12.5445 -34.4594 17.3826 -20.8597 TIMING: 2483400 CPU: 7409.91, 0.00295587/step Wall: 7409.91, 0.00295587/step, 2.06632 hours remaining, 207.996094 MB of memory in use. ENERGY: 2483400 733.9279 2102.3174 1909.9899 114.5467 -206234.2508 17790.1331 0.0000 0.0000 34333.5097 -149249.8260 299.8431 -183583.3357 -149160.2002 299.2842 -21.4072 8.7808 556926.2700 1.3781 1.2620 PRESSURE: 2483600 -233.298 -148.911 74.6468 -148.912 -235.872 -9.14084 74.645 -9.141 -219.229 GPRESSURE: 2483600 -228.506 -100.159 98.6543 -106.769 -158.957 -59.5193 81.9956 6.35701 -201.329 PRESSAVG: 2483600 -46.8853 25.5156 27.737 25.5156 29.8835 3.52403 27.7371 3.52402 -22.9394 GPRESSAVG: 2483600 -47.2451 23.9696 28.1516 28.0006 30.7077 3.20884 28.7015 5.27342 -22.9279 TIMING: 2483600 CPU: 7410.5, 0.00295689/step Wall: 7410.5, 0.00295689/step, 2.06687 hours remaining, 207.996094 MB of memory in use. ENERGY: 2483600 751.3581 2107.0808 1944.0780 116.8955 -205816.7474 17539.7984 0.0000 0.0000 34108.6287 -149248.9080 297.8791 -183357.5367 -149161.7987 299.0932 -229.4663 -196.2639 557472.4887 -13.3137 -13.1551 PRESSURE: 2483800 -134.767 34.1495 119.597 34.1497 -260.076 -32.0926 119.599 -32.0935 -55.0198 GPRESSURE: 2483800 -108.312 -68.8893 132.109 44.2955 -190.068 -138.572 83.4295 25.5132 -59.8718 PRESSAVG: 2483800 -46.673 -9.60966 56.8383 -9.60971 57.9381 -2.27621 56.8382 -2.27631 2.03504 GPRESSAVG: 2483800 -46.7086 -7.08147 55.8303 -12.4008 57.0257 1.35218 55.2264 -5.25326 3.36141 TIMING: 2483800 CPU: 7411.09, 0.00297947/step Wall: 7411.09, 0.00297947/step, 2.08249 hours remaining, 207.996094 MB of memory in use. ENERGY: 2483800 738.4967 2108.7559 1928.5538 115.7234 -205925.7440 17434.1967 0.0000 0.0000 34320.9223 -149279.0951 299.7332 -183600.0175 -149178.4360 299.2820 -149.9543 -119.4172 556567.4241 4.4334 4.5595 PRESSURE: 2484000 31.4707 -9.47969 -89.7304 -9.47983 -338.417 56.5718 -89.729 56.5739 80.8961 GPRESSURE: 2484000 122.842 -24.8097 -26.7333 -31.6865 -276.79 146.249 -114.446 -49.1291 32.1131 PRESSAVG: 2484000 40.4576 -34.7656 47.6854 -34.7656 -35.3969 -34.2937 47.6854 -34.2936 14.8845 GPRESSAVG: 2484000 41.8178 -34.0363 49.3491 -36.0494 -35.03 -36.0704 47.7554 -32.2225 13.5723 TIMING: 2484000 CPU: 7411.68, 0.00295066/step Wall: 7411.68, 0.00295066/step, 2.06219 hours remaining, 207.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2484000 771.2468 2108.9398 1944.5627 125.5758 -206179.2965 17659.4054 0.0000 0.0000 34357.0702 -149212.4959 300.0488 -183569.5661 -149118.1126 299.5196 -75.3501 -40.6117 556130.7164 6.6484 6.7867 PRESSURE: 2484200 70.7115 -48.6419 13.9502 -48.6415 199.916 45.9015 13.9511 45.902 66.4807 GPRESSURE: 2484200 89.8207 -38.1501 61.2374 4.00448 207.92 -12.474 179.49 8.94374 136.662 PRESSAVG: 2484200 7.22502 -22.4972 20.5029 -22.4971 -26.0993 -16.495 20.5029 -16.4951 33.3555 GPRESSAVG: 2484200 6.78245 -22.9643 19.0706 -22.2078 -26.6511 -16.2066 21.2014 -18.9023 34.5225 TIMING: 2484200 CPU: 7412.28, 0.00296585/step Wall: 7412.28, 0.00296585/step, 2.07264 hours remaining, 207.996094 MB of memory in use. ENERGY: 2484200 752.4411 2147.3971 1935.9820 122.7610 -206583.6242 18052.8677 0.0000 0.0000 34349.0306 -149223.1447 299.9786 -183572.1753 -149126.2915 299.8937 112.3694 144.8008 555988.8230 4.8271 4.8846 LDB: ============= START OF LOAD BALANCING ============== 7415.82 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7415.82 LDB: =============== DONE WITH MIGRATION ================ 7415.82 LDB: ============= START OF LOAD BALANCING ============== 7416.11 LDB: Largest compute 4796 load 0.025236 is 21.3% of average load 0.118207 LDB: Average compute 0.001744 is 1.5% of average load 0.118207 LDB: TIME 7416.12 LOAD: AVG 0.118207 MAX 0.202014 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 7416.12 LOAD: AVG 0.118207 MAX 0.202014 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.004 MB LDB: TIME 7416.12 LOAD: AVG 0.118207 MAX 0.202014 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.004 MB LDB: ============== END OF LOAD BALANCING =============== 7416.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7416.12 PRESSURE: 2484400 -127.063 33.766 166.166 33.7653 202.181 94.3566 166.168 94.3571 50.5294 GPRESSURE: 2484400 -89.7941 23.4634 184.058 7.71373 193.5 96.9485 141.533 78.9663 126.894 PRESSAVG: 2484400 -48.9301 -38.7907 -58.7146 -38.7908 14.2949 2.89403 -58.7146 2.89413 37.6508 GPRESSAVG: 2484400 -48.0917 -37.5845 -59.1736 -38.1568 14.5307 1.15636 -58.2401 5.63724 36.7143 TIMING: 2484400 CPU: 7412.87, 0.00298442/step Wall: 7412.87, 0.00298442/step, 2.08545 hours remaining, 208.054688 MB of memory in use. ENERGY: 2484400 771.8864 2064.1634 1923.1394 115.7954 -206322.0095 17868.8784 0.0000 0.0000 34212.9742 -149365.1723 298.7904 -183578.1465 -149273.6946 299.3973 41.8826 76.8665 557130.9040 1.0052 1.0511 PRESSURE: 2484600 -59.3093 108.367 -52.266 108.369 -110.748 31.5731 -52.2666 31.5731 -251.031 GPRESSURE: 2484600 -29.2598 85.1405 -71.723 202.417 -74.4397 10.6148 -4.04327 54.0319 -224.38 PRESSAVG: 2484600 -19.1872 -16.76 -23.1738 -16.76 33.9061 45.8791 -23.1738 45.8791 -17.3636 GPRESSAVG: 2484600 -20.0492 -18.8298 -22.4296 -14.8053 34.2532 46.7858 -22.746 46.4345 -16.5249 TIMING: 2484600 CPU: 7413.46, 0.002942/step Wall: 7413.46, 0.002942/step, 2.05564 hours remaining, 208.296875 MB of memory in use. ENERGY: 2484600 774.1405 2072.6708 1923.2732 112.9166 -206467.1633 17920.9429 0.0000 0.0000 34360.8183 -149302.4011 300.0816 -183663.2194 -149205.7704 299.3579 -140.3628 -109.3599 557445.0569 -0.8816 -0.7737 PRESSURE: 2484800 23.3673 68.6865 173.374 68.6868 -176.24 173 173.375 173 -94.7856 GPRESSURE: 2484800 39.125 138.238 117.173 0.698076 -176.837 158.543 141.9 168.742 -1.78782 PRESSAVG: 2484800 40.2416 24.491 34.3752 24.4911 7.31149 38.7945 34.3752 38.7945 -37.8612 GPRESSAVG: 2484800 41.0481 25.9398 33.3881 21.6272 6.2874 38.9368 33.6157 36.1791 -37.3457 TIMING: 2484800 CPU: 7414.05, 0.00295706/step Wall: 7414.05, 0.00295706/step, 2.066 hours remaining, 208.296875 MB of memory in use. ENERGY: 2484800 750.7208 2049.1398 1921.4848 103.1318 -206231.8989 17750.4812 0.0000 0.0000 34463.9474 -149192.9930 300.9822 -183656.9404 -149100.3981 299.8508 -82.5527 -46.5000 557616.1729 3.2306 3.3299 PRESSURE: 2485000 12.9176 4.75271 -67.6383 4.75214 50.1343 -10.2405 -67.6385 -10.2415 -165.087 GPRESSURE: 2485000 -8.00884 -11.2245 -14.1468 -24.0014 87.6706 37.0024 7.92852 -13.1854 -84.9936 PRESSAVG: 2485000 -26.6707 7.55061 12.6123 7.55062 23.9972 -37.5337 12.6122 -37.5336 -26.4941 GPRESSAVG: 2485000 -27.0633 6.31088 12.9684 8.64236 25.0598 -35.9317 11.1609 -37.4815 -26.6616 TIMING: 2485000 CPU: 7414.65, 0.00296374/step Wall: 7414.65, 0.00296374/step, 2.0705 hours remaining, 208.296875 MB of memory in use. ENERGY: 2485000 745.6351 2076.6419 1919.1671 114.5061 -206059.3742 17859.2039 0.0000 0.0000 34137.7326 -149206.4875 298.1333 -183344.2201 -149107.9720 299.6484 -34.0118 -1.7773 558073.2261 -9.7225 -9.5551 PRESSURE: 2485200 -256.113 42.885 -54.3801 42.8851 -84.6253 -50.3378 -54.3802 -50.3375 -127.673 GPRESSURE: 2485200 -186.996 42.2028 8.25904 42.524 -69.2337 -18.1924 -43.1133 -2.47728 -119.911 PRESSAVG: 2485200 -15.5228 -8.49317 19.7994 -8.49328 -21.5225 -13.4151 19.7994 -13.4152 61.3644 GPRESSAVG: 2485200 -15.5168 -8.11763 20.7393 -8.3035 -21.416 -14.1314 19.6905 -13.8742 61.2597 TIMING: 2485200 CPU: 7415.24, 0.00296051/step Wall: 7415.24, 0.00296051/step, 2.06808 hours remaining, 208.296875 MB of memory in use. ENERGY: 2485200 712.4564 2049.3943 1929.4968 111.9470 -205739.6969 17594.2386 0.0000 0.0000 34069.7960 -149272.3678 297.5400 -183342.1639 -149176.0433 299.1984 -156.1371 -125.3803 559403.6550 8.1064 8.1090 PRESSURE: 2485400 24.8926 -52.5612 15.4373 -52.5624 -287.304 -230.703 15.437 -230.702 -236.518 GPRESSURE: 2485400 39.1668 -2.08977 3.69203 -20.1103 -256.497 -241.188 -41.4274 -204.727 -196.976 PRESSAVG: 2485400 71.1138 67.151 62.6573 67.151 -77.3739 -7.08973 62.6573 -7.08971 16.8799 GPRESSAVG: 2485400 71.9747 68.6534 62.2379 67.2605 -77.2078 -6.20336 63.0276 -7.21147 16.0947 TIMING: 2485400 CPU: 7415.83, 0.00295541/step Wall: 7415.83, 0.00295541/step, 2.06435 hours remaining, 208.296875 MB of memory in use. ENERGY: 2485400 724.8865 2027.5899 1909.8175 103.1968 -205705.3136 17538.2992 0.0000 0.0000 34123.7087 -149277.8150 298.0108 -183401.5238 -149180.4477 298.6051 -166.3096 -138.1022 559028.7338 3.5399 3.6205 PRESSURE: 2485600 101.576 -110.918 -123.68 -110.918 -126.553 101.677 -123.68 101.677 24.428 GPRESSURE: 2485600 129.739 -153.003 -125.163 -83.3038 -127.536 173.03 -32.4431 13.9511 91.625 PRESSAVG: 2485600 7.34219 14.6938 -7.12628 14.6938 -34.2446 -30.0072 -7.12628 -30.0072 4.96556 GPRESSAVG: 2485600 6.55381 11.9867 -8.29967 14.4908 -34.7332 -29.4916 -5.7409 -28.7017 6.53772 TIMING: 2485600 CPU: 7416.42, 0.00294209/step Wall: 7416.42, 0.00294208/step, 2.05488 hours remaining, 208.296875 MB of memory in use. ENERGY: 2485600 737.5836 2102.6444 1913.7154 110.5136 -206235.5522 17851.1176 0.0000 0.0000 34256.5406 -149263.4370 299.1709 -183519.9776 -149162.3890 298.2670 -0.1832 31.2761 558087.4717 -7.3123 -7.2139 PRESSURE: 2485800 135.088 9.26486 167.589 9.26317 1.60214 236.317 167.59 236.318 -140.677 GPRESSURE: 2485800 177.507 -66.3247 163.22 88.7347 -19.2613 183.595 149.288 216.243 -66.2546 PRESSAVG: 2485800 43.0011 -34.3411 62.7567 -34.341 22.3577 52.0177 62.7569 52.0178 -98.6513 GPRESSAVG: 2485800 44.0051 -33.49 63.0237 -34.5434 21.8159 51.7703 62.5917 51.7624 -99.037 TIMING: 2485800 CPU: 7417.01, 0.00294981/step Wall: 7417.01, 0.00294981/step, 2.06011 hours remaining, 208.296875 MB of memory in use. ENERGY: 2485800 738.6711 2031.8310 1920.1547 118.3026 -205841.3677 17790.1599 0.0000 0.0000 34141.8981 -149100.3502 298.1697 -183242.2483 -149010.7511 298.8713 -1.3289 30.6638 557637.4425 -11.0975 -11.0720 PRESSURE: 2486000 259.565 -126.006 171.584 -126.005 106.461 -136.952 171.583 -136.954 -311.646 GPRESSURE: 2486000 307.376 -208.251 85.8853 -112.417 97.4746 -125.117 195.839 -134.874 -256.992 PRESSAVG: 2486000 84.2824 -15.3164 30.2409 -15.3164 13.3026 19.2937 30.2409 19.2937 -41.7539 GPRESSAVG: 2486000 84.7315 -14.7787 32.4216 -15.7249 13.8366 18.3194 26.7642 18.2228 -42.7298 TIMING: 2486000 CPU: 7417.6, 0.00295359/step Wall: 7417.6, 0.00295359/step, 2.06259 hours remaining, 208.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2486000 736.7472 2049.3555 1956.5824 105.5755 -205893.2605 17729.4137 0.0000 0.0000 34102.4964 -149213.0898 297.8256 -183315.5862 -149114.7857 299.6273 18.1268 49.2864 557016.8273 18.6103 18.6128 PRESSURE: 2486200 87.5576 68.9636 12.9527 68.9627 77.1053 -44.0278 12.9543 -44.0276 -405.2 GPRESSURE: 2486200 119.418 6.45415 0.97596 76.6178 130.634 -21.0542 14.2308 -20.2888 -386.176 PRESSAVG: 2486200 -5.13719 -5.39557 52.28 -5.39563 23.5331 -39.7789 52.28 -39.7789 -2.93527 GPRESSAVG: 2486200 -5.56102 -4.7499 52.6218 -4.73551 23.4195 -38.7942 54.7214 -39.7272 -2.5132 TIMING: 2486200 CPU: 7418.19, 0.00297113/step Wall: 7418.19, 0.00297113/step, 2.07467 hours remaining, 208.382812 MB of memory in use. ENERGY: 2486200 769.8600 2135.8866 1911.8732 99.5686 -205946.0395 17694.4547 0.0000 0.0000 34164.3428 -149170.0536 298.3657 -183334.3965 -149079.8547 298.8408 -80.1791 -45.3747 558015.8568 5.1535 5.1151 PRESSURE: 2486400 66.9528 115.216 -128.997 115.216 16.8684 -80.1884 -128.995 -80.1885 -83.7371 GPRESSURE: 2486400 124.108 173.159 -93.8658 104.081 27.9622 -100.089 -113.304 -38.9813 -52.805 PRESSAVG: 2486400 1.10708 -24.999 -3.33738 -24.9991 1.03981 -31.6595 -3.33739 -31.6595 -39.3181 GPRESSAVG: 2486400 2.82425 -27.6834 -4.68583 -26.3219 -0.415178 -31.882 -4.53639 -30.4608 -39.2811 TIMING: 2486400 CPU: 7418.78, 0.00296023/step Wall: 7418.78, 0.00296023/step, 2.0669 hours remaining, 208.382812 MB of memory in use. ENERGY: 2486400 752.7236 2117.6526 1890.4645 113.7378 -205959.7263 17851.1612 0.0000 0.0000 34041.0334 -149192.9531 297.2888 -183233.9865 -149098.5389 299.2477 0.0280 33.0884 558894.9355 -12.3904 -12.2907 PRESSURE: 2486600 -134.526 -133.394 -45.7859 -133.394 -291.409 9.93021 -45.7864 9.92939 -579.636 GPRESSURE: 2486600 -167.593 -83.1617 -42.7888 -146.749 -257.541 63.5295 -61.9469 1.59505 -485.023 PRESSAVG: 2486600 38.5742 -24.9668 -80.962 -24.9668 -49.8318 -10.1334 -80.962 -10.1334 17.1569 GPRESSAVG: 2486600 36.623 -23.8472 -82.0172 -24.9534 -49.2126 -11.0178 -78.8991 -9.00896 17.9178 TIMING: 2486600 CPU: 7419.38, 0.00297207/step Wall: 7419.38, 0.00297207/step, 2.075 hours remaining, 208.382812 MB of memory in use. ENERGY: 2486600 741.1714 2097.3961 1942.9681 111.4301 -205691.3701 17359.1460 0.0000 0.0000 34344.0104 -149095.2480 299.9348 -183439.2584 -148996.7384 299.4610 -335.1903 -303.3855 559816.2712 1.9664 1.7761 PRESSURE: 2486800 -198.141 -72.0903 -13.9884 -72.0897 -210.698 28.2876 -13.9883 28.2864 24.0993 GPRESSURE: 2486800 -183.232 -28.0261 43.8419 -70.1237 -166.809 66.8411 -30.8261 63.479 61.2621 PRESSAVG: 2486800 10.2412 36.5712 -21.8979 36.5712 -18.5544 1.44282 -21.898 1.44294 -14.5306 GPRESSAVG: 2486800 10.6513 37.8955 -21.5154 36.9011 -19.0769 0.625281 -23.5349 1.47234 -14.4805 TIMING: 2486800 CPU: 7419.98, 0.00298287/step Wall: 7419.98, 0.00298287/step, 2.08238 hours remaining, 208.382812 MB of memory in use. ENERGY: 2486800 766.6042 2094.0756 1936.9083 101.5829 -205971.4583 17732.2808 0.0000 0.0000 34145.6145 -149194.3920 298.2021 -183340.0065 -149102.0350 298.8955 -128.2464 -96.2594 559282.9208 -7.6146 -7.6354 PRESSURE: 2487000 2.37014 4.68761 315.113 4.68797 22.0905 5.09988 315.113 5.10027 -54.4983 GPRESSURE: 2487000 -17.3452 -10.6245 377.444 51.7552 107.667 29.927 287.063 -32.694 -39.2393 PRESSAVG: 2487000 11.3399 -14.1818 -43.1753 -14.1819 27.1223 42.6175 -43.1752 42.6175 -30.2334 GPRESSAVG: 2487000 10.9225 -14.8924 -41.5583 -13.8671 27.864 42.8858 -44.0361 40.5179 -30.7038 TIMING: 2487000 CPU: 7420.57, 0.00296912/step Wall: 7420.57, 0.00296912/step, 2.07261 hours remaining, 208.382812 MB of memory in use. ENERGY: 2487000 748.4742 2053.8913 1925.5460 106.6845 -205976.0135 17689.7903 0.0000 0.0000 34296.7288 -149154.8983 299.5219 -183451.6272 -149054.5046 299.1321 -10.0125 17.0274 556969.4752 2.7429 2.6942 PRESSURE: 2487200 113.433 -36.4458 48.6971 -36.4458 -121.938 48.7271 48.6978 48.7264 -229.386 GPRESSURE: 2487200 128.886 -124.298 86.5949 45.7554 -65.8229 31.0649 71.7 73.4035 -201.217 PRESSAVG: 2487200 18.5056 49.8804 6.76725 49.8804 -14.2215 27.1619 6.76709 27.1619 -51.3145 GPRESSAVG: 2487200 18.1836 49.1615 6.83434 50.8704 -13.6 28.2884 7.17771 29.035 -50.9088 TIMING: 2487200 CPU: 7421.16, 0.00295535/step Wall: 7421.16, 0.00295535/step, 2.06284 hours remaining, 208.382812 MB of memory in use. ENERGY: 2487200 796.8210 2125.8346 1909.9672 127.9859 -205874.1535 17646.4977 0.0000 0.0000 34264.1503 -149002.8967 299.2373 -183267.0470 -148908.3582 300.4330 -79.2972 -46.0515 557448.8367 -15.6768 -15.4418 PRESSURE: 2487400 -35.6525 -106.359 -199.816 -106.358 119.443 -46.9111 -199.817 -46.9121 241.177 GPRESSURE: 2487400 30.7402 -94.7808 -102.882 -71.1086 111.148 -72.1447 -213.015 12.2176 279.536 PRESSAVG: 2487400 92.2425 -11.2096 -38.9186 -11.2096 -70.9082 35.2699 -38.9187 35.2699 -18.0519 GPRESSAVG: 2487400 92.462 -12.6794 -40.0285 -12.2015 -70.8823 33.8546 -36.093 35.4866 -18.0828 TIMING: 2487400 CPU: 7421.75, 0.00295718/step Wall: 7421.75, 0.00295718/step, 2.06395 hours remaining, 208.382812 MB of memory in use. ENERGY: 2487400 754.7074 2111.5922 1948.8183 107.5139 -206316.5834 18031.0317 0.0000 0.0000 34318.2003 -149044.7196 299.7094 -183362.9199 -148954.4266 300.1878 108.3225 140.4747 557772.0346 1.0941 1.1656 PRESSURE: 2487600 79.4965 57.2183 108.902 57.2176 -57.5515 143.604 108.902 143.603 -91.3863 GPRESSURE: 2487600 100.91 73.7114 97.4048 98.6729 10.5808 10.6908 105.27 270.33 -92.4113 PRESSAVG: 2487600 -40.8616 -35.1615 -37.8593 -35.1615 10.9135 23.9116 -37.8593 23.9116 29.7436 GPRESSAVG: 2487600 -40.3634 -36.5071 -39.5936 -33.0024 10.7671 23.0606 -38.6996 22.2428 29.4759 TIMING: 2487600 CPU: 7422.34, 0.00295158/step Wall: 7422.34, 0.00295158/step, 2.05988 hours remaining, 208.382812 MB of memory in use. ENERGY: 2487600 749.2181 2071.8961 1946.9395 113.8492 -206036.1642 17724.6656 0.0000 0.0000 34353.2590 -149076.3367 300.0156 -183429.5957 -148969.8694 300.3207 -23.1471 6.3599 558522.8844 -0.0682 -0.0401 PRESSURE: 2487800 -18.2752 -52.8501 -55.9207 -52.85 -129.31 72.4187 -55.9204 72.4194 59.2828 GPRESSURE: 2487800 19.7206 -65.8023 -85.7568 -62.087 -92.6658 28.051 53.1772 77.9236 75.1657 PRESSAVG: 2487800 -32.234 -58.5997 12.488 -58.5997 -28.4944 5.13351 12.4881 5.1335 61.0929 GPRESSAVG: 2487800 -32.1255 -55.5646 11.4194 -60.9697 -28.4238 5.1307 13.2993 6.13465 61.3131 TIMING: 2487800 CPU: 7422.93, 0.00295178/step Wall: 7422.93, 0.00295178/step, 2.05985 hours remaining, 208.382812 MB of memory in use. ENERGY: 2487800 693.3733 2056.6080 1917.4090 108.0513 -206189.5246 17706.6085 0.0000 0.0000 34356.4065 -149351.0679 300.0430 -183707.4744 -149245.2664 300.0578 -29.4340 0.7402 556769.3231 0.1215 0.2546 PRESSURE: 2488000 203.468 25.7811 -34.7044 25.7807 -197.711 -295.108 -34.7039 -295.108 -98.6797 GPRESSURE: 2488000 275.148 -6.90823 -34.3668 76.9681 -204.84 -267.409 -57.5321 -310.853 -82.0926 PRESSAVG: 2488000 44.8938 83.4374 9.49381 83.4374 11.2939 -55.9893 9.49377 -55.9893 -21.9217 GPRESSAVG: 2488000 44.4249 82.1151 12.4568 84.879 11.2033 -54.1858 6.872 -56.2437 -21.1641 TIMING: 2488000 CPU: 7423.52, 0.00294256/step Wall: 7423.52, 0.00294256/step, 2.05326 hours remaining, 208.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2488000 753.0636 2113.4659 1934.3095 116.1830 -206177.4938 17861.8476 0.0000 0.0000 34049.2478 -149349.3763 297.3605 -183398.6241 -149251.5403 297.9639 -30.9744 -3.9285 558146.1205 11.4220 11.4880 PRESSURE: 2488200 153.26 -130.412 -41.65 -130.413 -173.254 -92.3184 -41.6502 -92.317 -222.577 GPRESSURE: 2488200 180.002 -118.245 -84.1088 -203.046 -119.933 -4.75049 -80.6649 -124.588 -197.655 PRESSAVG: 2488200 83.4799 -10.3681 -28.6484 -10.3681 -69.5728 -27.145 -28.6483 -27.1452 -53.9603 GPRESSAVG: 2488200 83.8542 -10.6499 -29.8183 -10.0483 -70.2047 -28.1323 -28.7209 -29.2146 -53.6771 TIMING: 2488200 CPU: 7424.12, 0.00297614/step Wall: 7424.12, 0.00297614/step, 2.07652 hours remaining, 208.382812 MB of memory in use. ENERGY: 2488200 760.8561 2078.0273 1940.2920 118.8531 -205951.1260 17755.9296 0.0000 0.0000 33953.0317 -149344.1362 296.5203 -183297.1679 -149251.2640 298.2874 -80.8571 -45.8619 558508.2245 -13.3510 -13.3425 LDB: ============= START OF LOAD BALANCING ============== 7427.66 LDB: ============== END OF LOAD BALANCING =============== 7427.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7427.67 LDB: ============= START OF LOAD BALANCING ============== 7427.97 LDB: Largest compute 4773 load 0.026640 is 22.5% of average load 0.118257 LDB: Average compute 0.001752 is 1.5% of average load 0.118257 LDB: TIME 7427.97 LOAD: AVG 0.118257 MAX 0.206024 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.023 MB LDB: TIME 7427.97 LOAD: AVG 0.118257 MAX 0.206024 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.023 MB LDB: TIME 7427.97 LOAD: AVG 0.118257 MAX 0.206024 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.023 MB LDB: ============== END OF LOAD BALANCING =============== 7427.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7427.98 PRESSURE: 2488400 -87.9476 -114.586 -9.5414 -114.585 80.8682 58.6929 -9.54258 58.6934 -47.2255 GPRESSURE: 2488400 -71.3891 -109.553 -53.8311 -74.8889 119.753 111.397 57.8882 43.5183 -7.50069 PRESSAVG: 2488400 32.3572 -77.4587 9.52848 -77.4586 -47.1592 -16.1733 9.52851 -16.1733 -4.96725 GPRESSAVG: 2488400 32.3207 -76.1419 9.67603 -78.361 -46.4937 -16.0499 10.7025 -13.9139 -5.70515 TIMING: 2488400 CPU: 7424.73, 0.00305441/step Wall: 7424.73, 0.00305441/step, 2.13096 hours remaining, 206.535156 MB of memory in use. ENERGY: 2488400 739.8944 2126.8188 1924.2176 102.6891 -205989.8179 17755.6677 0.0000 0.0000 34240.7968 -149099.7336 299.0334 -183340.5303 -149007.1332 299.0018 -18.1016 13.6211 557916.5070 -6.5897 -6.6261 PRESSURE: 2488600 -142.239 -0.649189 106.084 -0.649905 -189.984 44.9972 106.086 44.9986 -75.2732 GPRESSURE: 2488600 -110.947 72.1186 45.4453 -50.6481 -154.414 118.314 228.143 20.4325 -35.8337 PRESSAVG: 2488600 -34.5218 -46.3722 47.3458 -46.3722 35.8641 -52.0168 47.3458 -52.0169 37.2675 GPRESSAVG: 2488600 -34.6284 -44.0663 47.6501 -47.5403 34.811 -52.5961 46.4707 -51.6754 38.2161 TIMING: 2488600 CPU: 7425.33, 0.00300292/step Wall: 7425.33, 0.00300292/step, 2.09487 hours remaining, 206.535156 MB of memory in use. ENERGY: 2488600 799.5901 2101.4849 1936.5726 101.9307 -206022.8046 17782.0057 0.0000 0.0000 34167.2430 -149133.9775 298.3910 -183301.2205 -149038.5700 299.5406 -135.8321 -100.3981 557491.7032 12.8699 12.7995 PRESSURE: 2488800 8.87698 17.0422 220.551 17.0425 20.1657 307.151 220.551 307.15 -115.355 GPRESSURE: 2488800 41.153 14.9174 249.598 92.8 44.7172 366.087 170.018 185.405 -80.97 PRESSAVG: 2488800 0.029107 -11.4302 87.9698 -11.4301 -64.9475 81.4587 87.9699 81.4587 18.3812 GPRESSAVG: 2488800 -1.60132 -12.7555 86.7519 -10.2711 -63.4748 82.6005 89.6504 82.3147 18.1638 TIMING: 2488800 CPU: 7425.92, 0.00298227/step Wall: 7425.92, 0.00298227/step, 2.0803 hours remaining, 206.535156 MB of memory in use. ENERGY: 2488800 739.5260 2068.8244 1920.3929 115.4023 -206361.9840 17912.1816 0.0000 0.0000 34444.9185 -149160.7383 300.8160 -183605.6568 -149064.8903 299.3587 -28.7707 1.6334 558391.8333 -15.5124 -15.6374 PRESSURE: 2489000 230.301 87.1608 34.3854 87.1604 -162.834 -75.8611 34.385 -75.8603 8.09982 GPRESSURE: 2489000 252.073 -2.03911 -3.10791 35.8061 -119.729 -136.777 27.6013 -13.8309 34.2416 PRESSAVG: 2489000 38.3776 -31.0641 37.0618 -31.064 -42.751 33.1412 37.0617 33.1412 -27.0529 GPRESSAVG: 2489000 39.892 -33.4207 35.6952 -30.0022 -43.6959 30.3006 38.7358 32.6854 -27.4561 TIMING: 2489000 CPU: 7426.52, 0.00297697/step Wall: 7426.52, 0.00297697/step, 2.07644 hours remaining, 206.589844 MB of memory in use. ENERGY: 2489000 743.1828 2089.7408 1935.1673 109.1836 -206500.3259 18029.5722 0.0000 0.0000 34255.0204 -149338.4588 299.1576 -183593.4792 -149237.3335 299.2370 25.1890 55.5286 557421.3181 -10.4754 -10.4200 PRESSURE: 2489200 222.33 19.0106 -26.6234 19.0108 -31.0362 18.6879 -26.6232 18.6876 -188.193 GPRESSURE: 2489200 257.313 -6.84553 10.2302 -12.9359 37.5014 112.195 -98.705 -58.7258 -188.504 PRESSAVG: 2489200 81.2879 -44.1626 -0.403878 -44.1626 -21.4878 -7.57747 -0.403895 -7.5775 -23.168 GPRESSAVG: 2489200 81.5612 -44.6554 1.93639 -44.6631 -20.6741 -4.5787 -2.90057 -6.98055 -24.4906 TIMING: 2489200 CPU: 7427.11, 0.00296667/step Wall: 7427.11, 0.00296667/step, 2.06909 hours remaining, 206.589844 MB of memory in use. ENERGY: 2489200 769.4284 2047.8800 1916.8946 98.8592 -206353.4925 17927.2945 0.0000 0.0000 34409.7430 -149183.3928 300.5088 -183593.1358 -149090.1350 299.4025 1.0336 35.4366 557645.1337 12.2107 12.1322 PRESSURE: 2489400 -245.175 127.037 -134.072 127.038 190.132 61.5248 -134.072 61.5252 78.3271 GPRESSURE: 2489400 -117.594 149.339 -124.336 101.31 139.605 22.0133 -162.128 95.9821 100.3 PRESSAVG: 2489400 -23.6428 -14.9042 -60.631 -14.9042 -5.82288 7.27229 -60.6311 7.27229 25.1392 GPRESSAVG: 2489400 -24.9924 -13.5814 -62.2679 -15.6427 -5.93733 4.84682 -58.7683 5.19181 26.3227 TIMING: 2489400 CPU: 7427.71, 0.00298722/step Wall: 7427.71, 0.00298722/step, 2.08325 hours remaining, 206.589844 MB of memory in use. ENERGY: 2489400 735.8836 2089.6871 1941.4465 120.4404 -206181.2132 17697.2804 0.0000 0.0000 34373.0469 -149223.4282 300.1884 -183596.4751 -149128.7502 298.9064 7.7612 40.7702 556867.0376 -1.4421 -1.5357 PRESSURE: 2489600 -137.679 97.0272 0.553891 97.0279 -168.458 -54.9365 0.554408 -54.9371 -82.3931 GPRESSURE: 2489600 -37.2438 105.25 12.2995 115.829 -192.415 -54.9415 51.9433 -74.6467 -69.2599 PRESSAVG: 2489600 43.8488 -53.0292 38.7033 -53.0292 -9.9969 -12.7812 38.7034 -12.7813 -32.2062 GPRESSAVG: 2489600 45.1957 -54.1151 37.5139 -51.3625 -10.975 -13.0999 37.9731 -11.4298 -32.4997 TIMING: 2489600 CPU: 7428.31, 0.00298023/step Wall: 7428.31, 0.00298023/step, 2.07821 hours remaining, 206.589844 MB of memory in use. ENERGY: 2489600 724.8111 2115.4442 1951.8469 127.5263 -205866.3092 17431.8432 0.0000 0.0000 34211.9099 -149302.9275 298.7811 -183514.8374 -149197.1160 298.6181 -129.5101 -99.6395 557480.8051 0.5486 0.5737 PRESSURE: 2489800 61.5938 10.9812 90.6982 10.9826 164.326 -0.124357 90.6976 -0.12329 158.278 GPRESSURE: 2489800 62.2155 22.1253 144.779 -40.238 206.236 34.0549 19.0324 42.325 204.28 PRESSAVG: 2489800 54.5887 13.6518 -3.64834 13.6518 -72.7377 43.8001 -3.64831 43.8002 76.2617 GPRESSAVG: 2489800 54.5828 13.12 -0.408237 13.3635 -72.0287 45.167 -4.47146 42.0384 75.3413 TIMING: 2489800 CPU: 7428.9, 0.00299115/step Wall: 7428.9, 0.00299115/step, 2.08566 hours remaining, 206.589844 MB of memory in use. ENERGY: 2489800 762.3950 2112.1423 1921.0410 111.3028 -206328.7649 17887.7221 0.0000 0.0000 34199.7929 -149334.3687 298.6753 -183534.1617 -149233.3743 298.3716 128.0660 157.5771 555943.5548 19.3709 19.2985 PRESSURE: 2490000 -86.2718 -190.669 153.196 -190.668 -114.538 56.3041 153.196 56.303 68.9045 GPRESSURE: 2490000 -26.9475 -147.57 142.408 -146.16 -46.397 23.9488 200.035 128.744 49.9055 PRESSAVG: 2490000 -45.9511 -23.2843 -15.5197 -23.2842 7.22666 36.2797 -15.5197 36.2796 60.8306 GPRESSAVG: 2490000 -47.4788 -22.3766 -17.9147 -22.7044 7.51593 37.7726 -14.7218 35.1703 61.5608 TIMING: 2490000 CPU: 7429.5, 0.00298296/step Wall: 7429.5, 0.00298296/step, 2.07979 hours remaining, 206.589844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2490000 761.9274 2094.4025 1956.8798 104.6579 -206219.2547 17785.3135 0.0000 0.0000 34239.1243 -149276.9492 299.0188 -183516.0736 -149182.8047 299.4516 -43.9685 -7.8130 557729.6892 7.3687 7.1993 PRESSURE: 2490200 -43.7658 -113.742 51.3237 -113.742 -129.265 -178.574 51.3245 -178.575 -2.2654 GPRESSURE: 2490200 -6.21517 -122.121 160.199 -105.837 -120.378 -146.108 16.3596 -130.287 61.1073 PRESSAVG: 2490200 -31.1971 4.88634 60.5373 4.88641 -20.5713 -32.3804 60.5373 -32.3804 32.6895 GPRESSAVG: 2490200 -30.7565 5.1087 61.5815 4.16196 -20.9608 -33.8523 60.5688 -30.5136 32.0751 TIMING: 2490200 CPU: 7430.09, 0.00296892/step Wall: 7430.09, 0.00296892/step, 2.06983 hours remaining, 206.656250 MB of memory in use. ENERGY: 2490200 753.4331 2101.8715 1956.0074 107.4770 -206118.8660 17781.6171 0.0000 0.0000 34296.3432 -149122.1169 299.5185 -183418.4600 -149027.5526 299.3774 -58.4322 -21.8286 557770.8149 -6.3596 -6.5474 PRESSURE: 2490400 177.893 -85.9282 -40.1236 -85.9284 173.606 -41.753 -40.1235 -41.7529 -123.092 GPRESSURE: 2490400 181.065 -61.8003 -51.5859 -64.4315 274.215 42.5059 15.4145 -107.368 -124.12 PRESSAVG: 2490400 15.3418 -3.91738 18.9454 -3.91738 2.30521 -8.62723 18.9453 -8.62724 -16.074 GPRESSAVG: 2490400 15.4633 -3.25187 19.3586 -3.49537 0.875983 -7.86572 17.3528 -8.39161 -15.4784 TIMING: 2490400 CPU: 7430.69, 0.00296489/step Wall: 7430.69, 0.00296489/step, 2.06686 hours remaining, 206.656250 MB of memory in use. ENERGY: 2490400 726.1310 2118.1450 1940.4062 110.3769 -206055.6989 17796.2573 0.0000 0.0000 34234.6062 -149129.7762 298.9793 -183364.3824 -149040.1704 299.3408 76.1356 110.3867 558103.6177 0.5243 0.2870 PRESSURE: 2490600 -28.6649 44.4739 -22.8858 44.4738 -304.126 -20.5885 -22.8863 -20.5883 -1.3262 GPRESSURE: 2490600 -2.85126 66.4701 -7.8317 25.0836 -268.288 113.213 -58.8606 -97.257 40.338 PRESSAVG: 2490600 0.332991 -8.20685 -10.1756 -8.20678 -18.3626 -24.752 -10.1757 -24.7519 57.0143 GPRESSAVG: 2490600 0.823927 -10.0817 -10.4738 -6.99339 -18.5576 -24.7117 -10.4682 -25.6133 56.4462 TIMING: 2490600 CPU: 7431.28, 0.00296257/step Wall: 7431.28, 0.00296257/step, 2.06508 hours remaining, 206.656250 MB of memory in use. ENERGY: 2490600 730.6336 2103.3403 1942.1784 119.3375 -206001.1310 17624.2645 0.0000 0.0000 34350.7891 -149130.5877 299.9940 -183481.3768 -149033.9935 298.9139 -111.3725 -76.9336 556758.1454 12.9949 12.9042 PRESSURE: 2490800 140.226 25.8513 -79.8309 25.8515 29.4682 10.615 -79.8294 10.6148 65.8717 GPRESSURE: 2490800 198.248 -17.0021 19.8965 69.5885 75.5954 54.0718 -89.6614 -68.3704 49.0451 PRESSAVG: 2490800 16.9058 0.606471 -35.0838 0.606471 3.43787 18.5348 -35.0837 18.5348 3.4749 GPRESSAVG: 2490800 15.9281 0.329881 -35.1305 1.65301 4.77545 16.8439 -34.9712 19.2127 3.32498 TIMING: 2490800 CPU: 7431.87, 0.00295731/step Wall: 7431.87, 0.00295731/step, 2.06125 hours remaining, 206.656250 MB of memory in use. ENERGY: 2490800 718.7858 2111.1833 1933.6819 115.9115 -206335.0242 17892.0922 0.0000 0.0000 34230.2523 -149333.1172 298.9413 -183563.3695 -149239.0536 299.6137 78.5219 107.6295 556842.8632 7.9395 8.0095 PRESSURE: 2491000 -16.4934 60.34 -266.314 60.3406 95.1357 -139.529 -266.314 -139.528 193.395 GPRESSURE: 2491000 55.2343 163.048 -192.15 -18.6408 100.062 -200.65 -243.741 -158.236 210.651 PRESSAVG: 2491000 51.7749 -14.2797 -37.712 -14.2797 -41.8911 -12.0177 -37.712 -12.0177 40.049 GPRESSAVG: 2491000 53.0188 -15.214 -37.5628 -16.6254 -43.4922 -10.6153 -35.9905 -11.1073 39.5709 TIMING: 2491000 CPU: 7432.46, 0.0029504/step Wall: 7432.46, 0.0029504/step, 2.05627 hours remaining, 206.695312 MB of memory in use. ENERGY: 2491000 757.1771 2082.6386 1951.8410 111.7648 -206286.6359 18012.4277 0.0000 0.0000 34260.1427 -149110.6440 299.2023 -183370.7867 -149015.4190 298.9417 90.6790 121.9822 556445.9975 16.6443 16.3658 PRESSURE: 2491200 -190.975 24.2601 168.766 24.2619 -74.0603 -3.13417 168.767 -3.133 -5.43303 GPRESSURE: 2491200 -135.204 35.0339 172.826 -50.2747 -64.9179 -42.1947 104.284 -20.1939 31.4425 PRESSAVG: 2491200 12.76 21.0809 -5.43216 21.0808 -109.266 -26.6957 -5.43219 -26.6957 56.5247 GPRESSAVG: 2491200 11.6313 23.3822 -4.42577 18.5709 -107.993 -26.632 -6.87668 -29.5861 56.4278 TIMING: 2491200 CPU: 7433.05, 0.0029413/step Wall: 7433.05, 0.0029413/step, 2.04976 hours remaining, 206.695312 MB of memory in use. ENERGY: 2491200 712.9276 2070.5452 1960.4104 121.8805 -205534.7085 17565.0939 0.0000 0.0000 34072.7713 -149031.0796 297.5660 -183103.8509 -148930.1410 299.2248 -90.1562 -56.2265 557536.7239 -13.3270 -13.3112 PRESSURE: 2491400 0.781656 78.6343 -166.008 78.6352 36.832 -17.2455 -166.008 -17.2442 -103.876 GPRESSURE: 2491400 9.43758 -51.26 -241.244 55.4506 111.661 -10.614 -77.6752 19.3505 -97.6187 PRESSAVG: 2491400 47.9463 39.1551 -9.26899 39.1551 -23.166 -39.8723 -9.26915 -39.8723 23.1627 GPRESSAVG: 2491400 47.8935 39.6514 -10.7575 42.2873 -23.5436 -39.4246 -9.2218 -40.3304 23.6689 TIMING: 2491400 CPU: 7433.64, 0.00295284/step Wall: 7433.64, 0.00295284/step, 2.05764 hours remaining, 206.695312 MB of memory in use. ENERGY: 2491400 758.2467 2014.6775 1919.5278 105.8243 -206042.7228 17807.8622 0.0000 0.0000 34289.3705 -149147.2138 299.4576 -183436.5843 -149057.4723 299.3439 -22.0875 7.8266 558032.4201 15.9810 16.0063 PRESSURE: 2491600 -64.2366 42.5532 -65.6384 42.5543 -51.1924 -92.1667 -65.6387 -92.1678 31.1753 GPRESSURE: 2491600 -7.95299 -53.6294 -100.552 36.5947 -53.9284 -155.934 -18.8815 -126.894 73.4345 PRESSAVG: 2491600 8.97686 44.4144 -49.9904 44.4144 -15.2045 -7.83762 -49.9903 -7.83755 31.8215 GPRESSAVG: 2491600 8.85607 44.8628 -51.8726 43.246 -15.2723 -9.36151 -48.4839 -5.45737 32.9375 TIMING: 2491600 CPU: 7434.23, 0.00296284/step Wall: 7434.23, 0.00296284/step, 2.06444 hours remaining, 206.695312 MB of memory in use. ENERGY: 2491600 729.7163 2074.1223 1908.1901 104.5845 -206037.4831 17729.8242 0.0000 0.0000 34295.3218 -149195.7239 299.5096 -183491.0456 -149089.4034 299.7157 -28.0846 3.8511 556699.5902 8.5313 8.8404 PRESSURE: 2491800 -189.34 -42.7268 -136.958 -42.727 101.573 -38.5093 -136.957 -38.5085 -56.9348 GPRESSURE: 2491800 -143.375 -46.0311 -162.439 12.0194 112.343 -45.1875 -117.813 -9.37017 -15.2073 PRESSAVG: 2491800 -95.7886 29.1861 -34.4569 29.1861 31.8499 -40.0907 -34.4569 -40.0907 -1.54962 GPRESSAVG: 2491800 -95.1368 28.7209 -33.1635 31.9532 32.4829 -39.9461 -35.832 -40.106 -2.8949 TIMING: 2491800 CPU: 7434.83, 0.00297507/step Wall: 7434.83, 0.00297507/step, 2.0728 hours remaining, 206.695312 MB of memory in use. ENERGY: 2491800 762.8847 2097.1149 1946.5764 114.5585 -205909.3755 17657.0886 0.0000 0.0000 34388.7163 -148942.4362 300.3252 -183331.1525 -148849.6206 300.2937 -48.2340 -15.4134 554890.3392 -21.8294 -21.8496 PRESSURE: 2492000 140.361 29.2946 -85.0427 29.2937 -167.78 177.787 -85.0429 177.788 -25.4789 GPRESSURE: 2492000 155.99 -55.1794 -129.98 45.9036 -154.379 154.43 -96.6756 97.918 32.3887 PRESSAVG: 2492000 54.486 73.7801 -15.9071 73.7801 -20.8805 62.5324 -15.9071 62.5324 -35.9598 GPRESSAVG: 2492000 54.1699 74.8412 -14.808 69.1392 -21.2953 62.397 -17.8906 61.5944 -35.3667 TIMING: 2492000 CPU: 7435.43, 0.00299822/step Wall: 7435.43, 0.00299822/step, 2.08876 hours remaining, 206.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2492000 771.7831 2126.6788 1937.4893 98.8162 -205926.2563 17763.0274 0.0000 0.0000 34326.8251 -148901.6365 299.7847 -183228.4616 -148813.2200 300.4223 -17.6326 11.3332 555767.1447 -0.7847 -0.8307 PRESSURE: 2492200 -149.007 195.336 83.9492 195.336 148.672 9.25164 83.9477 9.25246 17.4154 GPRESSURE: 2492200 -107.292 199.453 136.779 239.294 185.99 66.4842 46.3585 -44.0739 25.7308 PRESSAVG: 2492200 -46.3877 44.4977 26.0612 44.4977 20.9972 6.03505 26.0611 6.03528 19.1062 GPRESSAVG: 2492200 -45.7035 43.8436 26.9598 46.5367 19.6856 7.05266 27.5072 6.03076 19.4934 TIMING: 2492200 CPU: 7436.03, 0.00299198/step Wall: 7436.03, 0.00299198/step, 2.08425 hours remaining, 206.695312 MB of memory in use. ENERGY: 2492200 733.4417 2047.3387 1968.6955 104.5625 -205713.5073 17657.2751 0.0000 0.0000 34283.0130 -148919.1808 299.4021 -183202.1938 -148825.0475 300.3979 5.6936 34.8097 557189.2403 -2.0947 -2.1748 LDB: ============= START OF LOAD BALANCING ============== 7439.58 LDB: ============== END OF LOAD BALANCING =============== 7439.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7439.58 LDB: ============= START OF LOAD BALANCING ============== 7439.88 LDB: Largest compute 4773 load 0.027590 is 23.3% of average load 0.118207 LDB: Average compute 0.001743 is 1.5% of average load 0.118207 LDB: TIME 7439.88 LOAD: AVG 0.118207 MAX 0.203449 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.184 MB LDB: TIME 7439.88 LOAD: AVG 0.118207 MAX 0.203449 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.184 MB LDB: TIME 7439.88 LOAD: AVG 0.118207 MAX 0.203449 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.184 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7439.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7439.88 PRESSURE: 2492400 -141.398 49.994 23.979 49.9939 -23.3605 151.205 23.9776 151.206 368.229 GPRESSURE: 2492400 -71.8185 -39.7329 -78.6974 61.2327 35.293 186.07 21.3487 123.826 332.464 PRESSAVG: 2492400 11.8516 39.6183 26.1934 39.6184 -31.6289 36.9557 26.1933 36.9558 104.391 GPRESSAVG: 2492400 10.6245 39.4323 23.4458 39.9793 -28.9929 36.5078 29.6202 39.0621 103.231 TIMING: 2492400 CPU: 7436.63, 0.00304019/step Wall: 7436.63, 0.00304019/step, 2.11766 hours remaining, 207.441406 MB of memory in use. ENERGY: 2492400 741.3039 2081.8625 1949.0717 119.9955 -206079.0013 17849.6316 0.0000 0.0000 34412.3143 -148924.8219 300.5313 -183337.1362 -148831.4275 300.7936 67.8234 98.6461 555681.2100 28.2046 28.2875 PRESSURE: 2492600 -519.319 -36.2848 -41.9865 -36.2856 -317.807 -46.8151 -41.986 -46.8154 -329.446 GPRESSURE: 2492600 -465.666 13.0668 32.0019 -34.6327 -256.672 -57.0145 -77.2437 -5.38948 -327.823 PRESSAVG: 2492600 -59.5996 31.224 -55.4497 31.2239 -12.5837 19.644 -55.4496 19.6439 23.4111 GPRESSAVG: 2492600 -59.3368 30.5837 -55.7424 31.1502 -13.5284 19.6678 -55 17.1429 24.3605 TIMING: 2492600 CPU: 7437.23, 0.00296463/step Wall: 7437.23, 0.00296463/step, 2.06486 hours remaining, 207.441406 MB of memory in use. ENERGY: 2492600 735.6535 2084.2022 1933.8435 109.6369 -205487.5744 17117.8332 0.0000 0.0000 34443.5540 -149062.8511 300.8041 -183506.4051 -148964.8275 298.9366 -388.8573 -350.0540 558038.8402 -16.2574 -16.1682 PRESSURE: 2492800 -256.01 133.362 -10.592 133.361 -75.8245 10.6586 -10.592 10.6592 -306.751 GPRESSURE: 2492800 -179.718 161.204 21.6549 49.1643 -60.3155 60.0152 -44.811 -63.6071 -301.145 PRESSAVG: 2492800 -32.8304 -7.09702 20.0038 -7.09705 34.8464 26.6191 20.0038 26.6191 15.035 GPRESSAVG: 2492800 -31.0366 -4.18987 21.3116 -8.83079 35.0536 27.39 16.1695 27.8208 13.0508 TIMING: 2492800 CPU: 7437.82, 0.0029462/step Wall: 7437.82, 0.0029462/step, 2.05186 hours remaining, 207.441406 MB of memory in use. ENERGY: 2492800 726.2348 2169.3676 1911.0225 100.6345 -205443.3990 17333.5760 0.0000 0.0000 34291.2328 -148911.3307 299.4739 -183202.5636 -148813.1479 300.3398 -212.8619 -180.3930 557411.2716 5.6837 5.6893 PRESSURE: 2493000 -4.62852 -6.56522 -53.6595 -6.56386 -126.878 110.088 -53.6595 110.087 -174.365 GPRESSURE: 2493000 95.9137 40.1886 -111.125 -72.7888 -102.391 104.738 -37.5189 98.7364 -209.373 PRESSAVG: 2493000 -22.2481 32.2208 49.3509 32.2209 38.4862 16.6428 49.3509 16.6427 -45.4545 GPRESSAVG: 2493000 -22.8482 29.9281 51.6148 34.4565 38.0823 16.2233 49.5794 14.9435 -44.413 TIMING: 2493000 CPU: 7438.41, 0.00294682/step Wall: 7438.41, 0.00294682/step, 2.05213 hours remaining, 207.441406 MB of memory in use. ENERGY: 2493000 753.3052 2085.3139 1942.4521 118.6053 -205682.8458 17624.7873 0.0000 0.0000 34318.1276 -148840.2544 299.7087 -183158.3820 -148743.5836 300.8206 -101.9571 -71.9503 558661.7654 -9.7388 -9.7263 PRESSURE: 2493200 -40.4386 -32.987 -104.462 -32.9865 -88.9422 78.3589 -104.464 78.3582 418.348 GPRESSURE: 2493200 -24.301 36.5293 -160.039 -74.7773 -19.0897 113.184 -119.359 -19.3478 426.657 PRESSAVG: 2493200 30.8792 15.1174 -24.4248 15.1174 -64.1299 -5.0761 -24.4247 -5.07609 30.5108 GPRESSAVG: 2493200 30.2542 14.6463 -26.9394 15.1029 -63.9106 -3.58403 -22.3229 -5.99216 30.7999 TIMING: 2493200 CPU: 7439, 0.00295465/step Wall: 7439, 0.00295465/step, 2.05742 hours remaining, 207.441406 MB of memory in use. ENERGY: 2493200 735.2467 2031.8659 1946.0337 122.1801 -206444.7775 18116.9579 0.0000 0.0000 34647.1729 -148845.3203 302.5824 -183492.4931 -148747.7810 300.4413 96.3225 127.7554 558232.9886 -0.9133 -0.9521 PRESSURE: 2493400 -104.933 -72.2914 5.77652 -72.292 327.674 -21.6207 5.77724 -21.6203 148.38 GPRESSURE: 2493400 -87.9514 -71.7804 17.7499 -68.8895 364.992 30.4045 79.7791 -56.11 179.876 PRESSAVG: 2493400 -2.85008 -53.1967 -0.336697 -53.1966 27.8888 5.96309 -0.33662 5.96317 -2.46229 GPRESSAVG: 2493400 -3.25757 -53.4815 0.0695772 -53.9037 28.546 2.93261 -1.77308 8.4722 -1.98233 TIMING: 2493400 CPU: 7439.59, 0.00296237/step Wall: 7439.59, 0.00296237/step, 2.06263 hours remaining, 207.441406 MB of memory in use. ENERGY: 2493400 749.7793 2128.5709 1957.2741 101.1015 -205804.1038 17863.2495 0.0000 0.0000 34145.1776 -148858.9510 298.1983 -183004.1286 -148761.0493 299.4567 123.7072 152.3056 559514.1274 7.5255 7.7687 PRESSURE: 2493600 207.237 48.7359 60.2885 48.7365 95.6674 43.8518 60.2877 43.8522 32.7809 GPRESSURE: 2493600 190.054 83.2898 63.634 21.9167 166.366 10.0817 21.3647 65.9016 76.1081 PRESSAVG: 2493600 -16.5275 -10.5577 -12.5332 -10.5577 65.6173 -48.0145 -12.5333 -48.0145 15.7501 GPRESSAVG: 2493600 -15.4884 -10.3735 -12.2775 -10.7483 64.1004 -49.4482 -12.8799 -48.05 16.1892 TIMING: 2493600 CPU: 7440.18, 0.00296702/step Wall: 7440.18, 0.00296702/step, 2.06571 hours remaining, 207.441406 MB of memory in use. ENERGY: 2493600 766.9764 2122.0813 1980.4043 110.2233 -206261.8825 18009.0602 0.0000 0.0000 34364.3122 -148908.8248 300.1121 -183273.1371 -148820.6876 299.4830 111.8950 144.1761 558716.6987 21.6133 21.6004 PRESSURE: 2493800 -67.4605 170.959 43.533 170.958 35.5524 -20.1342 43.5325 -20.1339 132.793 GPRESSURE: 2493800 -40.5157 149.479 60.135 190.648 87.1652 -26.9638 19.5105 39.9748 143.725 PRESSAVG: 2493800 -47.0723 -1.13608 -12.3939 -1.13609 -30.0535 -8.27975 -12.394 -8.2799 39.2829 GPRESSAVG: 2493800 -47.4108 -0.00934419 -11.6778 -1.81556 -29.1383 -6.19174 -13.3429 -7.9679 38.7272 TIMING: 2493800 CPU: 7440.78, 0.00296618/step Wall: 7440.78, 0.00296618/step, 2.06496 hours remaining, 207.441406 MB of memory in use. ENERGY: 2493800 784.9615 2057.1786 1923.0378 121.7223 -206033.8664 17773.5600 0.0000 0.0000 34334.6402 -149038.7660 299.8530 -183373.4062 -148945.1969 299.7203 33.6282 63.4581 557994.6671 -12.6143 -12.6073 PRESSURE: 2494000 -80.1962 89.0632 17.9634 89.0643 -228.033 -120.851 17.9633 -120.851 -353.104 GPRESSURE: 2494000 -39.5097 -0.150702 -5.76753 82.8004 -290.521 -124.435 -21.3239 -124.808 -237.414 PRESSAVG: 2494000 -17.456 30.2103 -7.056 30.2103 10.0053 7.11998 -7.05599 7.11997 -5.36283 GPRESSAVG: 2494000 -17.0201 30.5947 -8.99538 30.2676 10.3125 6.04457 -4.71071 6.43998 -5.19183 TIMING: 2494000 CPU: 7441.37, 0.00297378/step Wall: 7441.37, 0.00297378/step, 2.07008 hours remaining, 207.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2494000 741.1215 2063.2811 1945.9240 116.1322 -205534.4830 17353.0479 0.0000 0.0000 34339.6068 -148975.3696 299.8963 -183314.9764 -148870.5325 299.9277 -220.4442 -189.1482 558579.4485 -4.2712 -3.9665 PRESSURE: 2494200 32.1335 133.393 -203.546 133.394 -21.6753 -18.5452 -203.544 -18.5457 -11.6781 GPRESSURE: 2494200 96.3 48.0913 -242.98 127.801 -46.4269 -57.5878 -101.612 -9.26802 42.224 PRESSAVG: 2494200 16.1712 22.2539 -72.2971 22.254 -21.3871 32.0579 -72.2971 32.058 19.2824 GPRESSAVG: 2494200 15.6622 22.1657 -74.26 23.3609 -21.8704 34.9644 -70.2624 30.3211 20.7126 TIMING: 2494200 CPU: 7441.97, 0.0029751/step Wall: 7441.97, 0.0029751/step, 2.07083 hours remaining, 207.441406 MB of memory in use. ENERGY: 2494200 718.5972 2097.4786 1926.0634 103.7101 -205917.5348 17676.1945 0.0000 0.0000 34392.2460 -149003.2450 300.3560 -183395.4910 -148907.0293 300.3526 -0.4066 30.6990 557175.4932 4.6888 4.8348 PRESSURE: 2494400 -78.3822 -36.0455 -30.2706 -36.0453 -248.631 54.2035 -30.2712 54.2024 -340.579 GPRESSURE: 2494400 -4.9734 150.526 -41.9837 -146.596 -276.034 -45.451 -40.4586 77.1133 -288.675 PRESSAVG: 2494400 72.9161 28.6786 -69.216 28.6786 -70.8972 52.325 -69.216 52.325 -4.7763 GPRESSAVG: 2494400 73.1533 28.4371 -63.6536 27.7112 -70.3131 52.1413 -72.7999 51.7098 -5.70751 TIMING: 2494400 CPU: 7442.56, 0.00298904/step Wall: 7442.56, 0.00298904/step, 2.08037 hours remaining, 207.441406 MB of memory in use. ENERGY: 2494400 769.5720 2084.1351 1916.1694 114.0107 -205506.6609 17323.1947 0.0000 0.0000 34367.4858 -148932.0932 300.1398 -183299.5790 -148840.4228 299.9559 -222.5307 -189.8943 556821.1467 -0.9192 -0.9558 PRESSURE: 2494600 352.971 -6.56461 -42.1258 -6.56494 -56.0775 -119.954 -42.1244 -119.954 74.7688 GPRESSURE: 2494600 419.075 21.288 34.1601 34.8799 -30.5162 -59.4789 -86.364 -100.527 86.2118 PRESSAVG: 2494600 -12.5336 28.4074 -25.6214 28.4073 8.32671 -0.515059 -25.6214 -0.515026 5.88369 GPRESSAVG: 2494600 -12.3199 29.2856 -27.3012 28.9526 7.89997 -3.50371 -25.1128 2.57753 5.92456 TIMING: 2494600 CPU: 7443.16, 0.00298247/step Wall: 7443.16, 0.00298247/step, 2.07563 hours remaining, 207.441406 MB of memory in use. ENERGY: 2494600 800.3596 2102.7254 1933.1998 121.0466 -206266.1993 18149.7186 0.0000 0.0000 34326.4388 -148832.7106 299.7813 -183159.1494 -148736.2153 300.4971 123.8873 158.2569 555842.3650 0.5589 0.5016 PRESSURE: 2494800 -50.953 123.356 -34.0084 123.356 -69.4377 214.887 -34.0081 214.886 97.1366 GPRESSURE: 2494800 -52.4322 86.7696 12.3347 207.447 -69.7858 244.883 -102.327 177.448 188.949 PRESSAVG: 2494800 -13.5885 -0.0266659 -1.66833 -0.0266871 -1.73477 9.86419 -1.66839 9.86431 17.6937 GPRESSAVG: 2494800 -13.4796 0.113918 -1.47231 1.64952 -2.01524 12.2262 -1.70901 10.3337 18.3377 TIMING: 2494800 CPU: 7443.75, 0.00295549/step Wall: 7443.75, 0.00295549/step, 2.05669 hours remaining, 207.441406 MB of memory in use. ENERGY: 2494800 746.2066 2113.5866 1961.0156 114.1915 -206166.9905 17780.3505 0.0000 0.0000 34518.6787 -148932.9611 301.4602 -183451.6397 -148836.8771 300.8651 -7.7514 22.2437 557861.6167 0.7901 0.9476 PRESSURE: 2495000 -45.8687 -75.4757 269.655 -75.4768 -61.5145 1.65791 269.655 1.65805 11.0418 GPRESSURE: 2495000 -46.1175 -45.9405 255.888 -180.981 -44.0335 -16.7951 241.961 19.855 86.555 PRESSAVG: 2495000 -18.319 7.85786 46.3094 7.85787 -55.5937 20.3361 46.3093 20.3361 43.1208 GPRESSAVG: 2495000 -17.7774 6.87123 46.3193 6.09368 -55.0828 20.8795 46.9562 17.6138 41.4766 TIMING: 2495000 CPU: 7444.35, 0.00297127/step Wall: 7444.35, 0.00297127/step, 2.06751 hours remaining, 207.441406 MB of memory in use. ENERGY: 2495000 737.0212 2090.1430 1939.4691 117.0840 -205828.0466 17478.1419 0.0000 0.0000 34396.1537 -149070.0339 300.3902 -183466.1876 -148970.3334 300.0922 -32.1138 -1.1986 557728.4837 -10.2639 -10.4612 PRESSURE: 2495200 -27.1601 -116.503 41.0473 -116.503 -245.785 -166.759 41.0461 -166.759 -44.1477 GPRESSURE: 2495200 12.1589 -86.0477 -47.4045 -58.137 -218.61 -138.147 -13.4698 -170.249 -9.02151 PRESSAVG: 2495200 22.8697 -30.5953 29.9235 -30.5953 -12.4579 -14.9802 29.9234 -14.9803 -25.8555 GPRESSAVG: 2495200 22.8942 -30.1351 29.6849 -30.2907 -13.7373 -15.3477 29.3521 -14.6418 -24.8449 TIMING: 2495200 CPU: 7444.94, 0.00296349/step Wall: 7444.94, 0.00296349/step, 2.06193 hours remaining, 207.441406 MB of memory in use. ENERGY: 2495200 765.4645 2075.3039 1950.4843 118.4816 -205661.7638 17576.3896 0.0000 0.0000 34333.7986 -148841.8414 299.8456 -183175.6400 -148743.1884 299.8357 -105.6976 -71.8243 556332.2253 -5.1479 -5.2293 PRESSURE: 2495400 308.452 79.9322 65.7193 79.9339 -127.024 -37.606 65.7196 -37.6054 -126.407 GPRESSURE: 2495400 311.588 128.034 77.6542 38.9687 -74.4326 -22.4682 100.346 -53.6097 -77.6224 PRESSAVG: 2495400 42.2895 5.61512 50.914 5.61509 72.2282 -45.784 50.9139 -45.784 -34.9892 GPRESSAVG: 2495400 41.7231 5.13388 49.4047 6.13528 72.7692 -45.3773 52.7821 -45.4362 -35.0172 TIMING: 2495400 CPU: 7445.53, 0.00295525/step Wall: 7445.53, 0.00295525/step, 2.05603 hours remaining, 207.441406 MB of memory in use. ENERGY: 2495400 763.4067 2030.8046 1920.5777 112.7112 -206195.9163 17752.8286 0.0000 0.0000 34551.4993 -149064.0882 301.7468 -183615.5875 -148957.1109 300.2369 18.3402 53.1778 556633.4706 26.5095 26.4917 PRESSURE: 2495600 28.7136 104.522 141.734 104.522 10.3855 188.993 141.735 188.993 -125.329 GPRESSURE: 2495600 74.4921 109.934 194.063 133.658 24.3778 209.812 148.58 90.1096 -97.3597 PRESSAVG: 2495600 40.8054 48.7589 41.1041 48.7588 -42.0473 -6.67544 41.1041 -6.67547 1.73809 GPRESSAVG: 2495600 41.2082 49.2193 40.4181 48.0014 -42.7925 -6.45795 41.0839 -6.83458 2.05258 TIMING: 2495600 CPU: 7446.12, 0.00294335/step Wall: 7446.12, 0.00294335/step, 2.04759 hours remaining, 207.441406 MB of memory in use. ENERGY: 2495600 715.7342 2063.8723 1919.3870 107.8630 -205738.0971 17741.5568 0.0000 0.0000 34242.9170 -148946.7668 299.0519 -183189.6838 -148846.9753 300.2407 -28.7433 0.5034 558727.1371 0.1654 0.1561 PRESSURE: 2495800 -285.971 88.7254 -15.5515 88.7244 -112.746 -51.4608 -15.5519 -51.4605 202.589 GPRESSURE: 2495800 -277.51 69.6509 -0.560834 92.3713 -35.7818 -75.4628 -10.6607 -79.9118 213.945 PRESSAVG: 2495800 6.65968 49.2398 -27.2689 49.2398 15.791 17.811 -27.2689 17.811 -28.5171 GPRESSAVG: 2495800 8.43314 48.5423 -25.4473 47.403 16.0867 15.752 -28.8725 19.369 -30.4348 TIMING: 2495800 CPU: 7446.71, 0.00293721/step Wall: 7446.71, 0.00293721/step, 2.04316 hours remaining, 207.441406 MB of memory in use. ENERGY: 2495800 747.8475 2061.5897 1912.2104 99.4629 -206022.4582 17727.0809 0.0000 0.0000 34730.1892 -148744.0774 303.3074 -183474.2666 -148653.8700 300.2373 -65.3756 -33.1155 558881.2999 -2.0221 -1.9717 PRESSURE: 2496000 49.8856 -145.197 -171.59 -145.197 330.647 -59.6145 -171.592 -59.6161 -172.918 GPRESSURE: 2496000 118.738 -130.713 -149.832 -165.553 326.415 -57.7497 -170.71 -21.1398 -148.739 PRESSAVG: 2496000 -52.8076 22.4562 -58.8263 22.4563 71.4296 11.1139 -58.8263 11.1138 -25.7298 GPRESSAVG: 2496000 -53.2642 22.7627 -59.9992 22.5393 71.6895 11.8942 -57.5302 9.50195 -25.4018 TIMING: 2496000 CPU: 7447.29, 0.00292873/step Wall: 7447.29, 0.00292873/step, 2.0371 hours remaining, 207.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2496000 752.7561 2080.6449 1930.8332 123.3654 -205933.3532 17881.7488 0.0000 0.0000 34277.9857 -148886.0190 299.3582 -183164.0047 -148794.9388 300.0056 69.2050 98.8048 558315.0640 -2.3693 -2.3255 PRESSURE: 2496200 -13.2033 -122.177 -53.1817 -122.176 -40.5207 -44.1755 -53.1811 -44.1759 -135.285 GPRESSURE: 2496200 37.7213 -129.939 -207.608 -107.874 -28.2337 -6.90146 52.1845 -56.1694 -108.973 PRESSAVG: 2496200 76.3509 -42.4201 23.6166 -42.4201 4.98666 -27.4255 23.6165 -27.4254 -85.6338 GPRESSAVG: 2496200 74.8935 -41.737 22.6033 -41.3528 6.1602 -25.9441 21.5517 -27.7668 -85.3683 TIMING: 2496200 CPU: 7447.89, 0.00299361/step Wall: 7447.89, 0.0029936/step, 2.08205 hours remaining, 207.441406 MB of memory in use. ENERGY: 2496200 784.4832 2106.9742 1933.9940 109.8718 -206023.2316 17722.6507 0.0000 0.0000 34532.2121 -148833.0456 301.5784 -183365.2577 -148734.5741 299.7393 -63.0030 -33.1618 558132.6509 -1.4321 -1.4382 LDB: ============= START OF LOAD BALANCING ============== 7451.44 LDB: ============== END OF LOAD BALANCING =============== 7451.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7451.44 LDB: ============= START OF LOAD BALANCING ============== 7451.74 LDB: Largest compute 4773 load 0.027517 is 23.3% of average load 0.118220 LDB: Average compute 0.001756 is 1.5% of average load 0.118220 LDB: TIME 7451.74 LOAD: AVG 0.11822 MAX 0.20501 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.105 MB LDB: TIME 7451.74 LOAD: AVG 0.11822 MAX 0.20501 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.309 MB LDB: TIME 7451.74 LOAD: AVG 0.11822 MAX 0.20501 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.309 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7451.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7451.75 PRESSURE: 2496400 61.3884 -35.4182 -69.0051 -35.4183 150.959 -24.676 -69.0056 -24.6774 -177.78 GPRESSURE: 2496400 78.1451 -33.131 -46.9208 26.0717 119.503 11.261 -45.7811 -68.9611 -58.9554 PRESSAVG: 2496400 51.7947 -35.7791 14.4576 -35.779 -64.3953 1.97747 14.4576 1.97766 -27.0615 GPRESSAVG: 2496400 51.4241 -35.714 17.5154 -36.9845 -65.5236 2.42368 15.4296 2.52095 -25.4544 TIMING: 2496400 CPU: 7448.5, 0.0030564/step Wall: 7448.5, 0.0030564/step, 2.12556 hours remaining, 207.996094 MB of memory in use. ENERGY: 2496400 726.0069 2053.3796 1918.2817 118.5112 -205621.5569 17702.5865 0.0000 0.0000 34450.5279 -148652.2631 300.8650 -183102.7910 -148555.2892 300.0921 11.5226 46.2310 558745.9739 -13.2207 -13.1846 PRESSURE: 2496600 -215.288 64.0462 -36.8283 64.047 33.1085 38.122 -36.8288 38.1214 85.2089 GPRESSURE: 2496600 -209.542 89.4337 -80.2942 49.0416 86.4015 -11.0856 -18.2523 -4.55109 129.015 PRESSAVG: 2496600 11.5622 -54.9382 -66.1577 -54.9381 19.4358 78.3018 -66.1577 78.3018 -45.501 GPRESSAVG: 2496600 11.9956 -55.8286 -67.0146 -54.8867 19.4486 75.0421 -66.969 79.0151 -45.8971 TIMING: 2496600 CPU: 7449.1, 0.0030042/step Wall: 7449.1, 0.0030042/step, 2.08909 hours remaining, 208.066406 MB of memory in use. ENERGY: 2496600 720.7214 2079.9093 1936.5213 122.5344 -205363.6312 17375.4570 0.0000 0.0000 34400.1350 -148728.3529 300.4249 -183128.4879 -148631.6300 300.8083 -32.3236 1.9580 557894.3988 -4.8344 -4.8176 PRESSURE: 2496800 307.065 -56.8117 67.7381 -56.8108 -48.218 -44.6722 67.7391 -44.6741 85.558 GPRESSURE: 2496800 342.051 -59.3699 99.8964 -22.2978 -33.4289 66.3248 -9.38536 -89.2842 119.986 PRESSAVG: 2496800 5.33166 -26.9841 -35.1042 -26.9842 52.8645 -14.1675 -35.1041 -14.1675 -51.3668 GPRESSAVG: 2496800 5.44726 -27.5144 -34.6645 -24.9687 53.4572 -11.8921 -36.8677 -16.6716 -52.3266 TIMING: 2496800 CPU: 7449.7, 0.00300296/step Wall: 7449.7, 0.00300296/step, 2.08806 hours remaining, 208.066406 MB of memory in use. ENERGY: 2496800 736.2201 2059.4164 1903.8295 108.2476 -206198.9469 18024.9845 0.0000 0.0000 34662.9736 -148703.2752 302.7204 -183366.2488 -148603.6596 300.7937 114.8016 142.8691 558980.0609 2.2764 2.1926 PRESSURE: 2497000 -1.96994 -89.6464 -141.046 -89.6449 111.846 -23.7465 -141.047 -23.7469 -11.7544 GPRESSURE: 2497000 46.0367 -80.3028 -235.831 -117.414 77.4377 -21.5124 -102.326 -18.3398 66.1842 PRESSAVG: 2497000 -87.9405 -20.662 -48.9557 -20.6619 87.2515 2.97154 -48.9557 2.97148 -5.73168 GPRESSAVG: 2497000 -87.5652 -19.6807 -50.1558 -22.4207 86.1823 4.8058 -45.7573 2.70071 -5.27938 TIMING: 2497000 CPU: 7450.3, 0.00299977/step Wall: 7450.3, 0.00299977/step, 2.08568 hours remaining, 208.066406 MB of memory in use. ENERGY: 2497000 752.4729 2055.9393 1887.1016 108.5323 -206291.1463 18026.5941 0.0000 0.0000 34646.6858 -148813.8203 302.5781 -183460.5061 -148720.0276 300.5492 32.7072 63.2195 558745.6090 -2.1402 -2.2208 PRESSURE: 2497200 -213.934 26.6406 103.173 26.6419 138.251 -155.854 103.175 -155.854 200.318 GPRESSURE: 2497200 -152.354 -3.93851 136.167 51.1685 131.927 -219.546 40.5122 -112.906 248.344 PRESSAVG: 2497200 9.55923 -0.68861 19.9637 -0.688643 41.4017 -6.20301 19.9637 -6.20296 -11.0774 GPRESSAVG: 2497200 8.7462 0.277571 20.5982 0.00866982 41.2736 -7.34075 17.1124 -5.92014 -10.5139 TIMING: 2497200 CPU: 7450.9, 0.00298203/step Wall: 7450.9, 0.00298203/step, 2.07317 hours remaining, 208.066406 MB of memory in use. ENERGY: 2497200 787.1112 2047.7430 1925.1811 120.4037 -205934.0935 17821.6507 0.0000 0.0000 34454.7593 -148777.2444 300.9020 -183232.0038 -148677.3308 300.6247 41.5450 75.9720 557528.5788 13.2945 13.1686 PRESSURE: 2497400 -47.4516 4.43625 -41.8746 4.4349 88.056 38.2913 -41.873 38.29 -95.1784 GPRESSURE: 2497400 -50.3352 -20.9109 7.10177 13.5991 99.4108 -31.4299 -36.1095 89.1866 -28.9995 PRESSAVG: 2497400 0.0700533 -4.40212 -20.1874 -4.40216 57.2538 -63.1022 -20.1875 -63.1022 -44.2319 GPRESSAVG: 2497400 1.18096 -6.43488 -20.7985 -2.60345 56.9627 -65.0184 -19.4468 -60.8035 -45.3157 TIMING: 2497400 CPU: 7451.49, 0.00296435/step Wall: 7451.49, 0.00296435/step, 2.06072 hours remaining, 208.066406 MB of memory in use. ENERGY: 2497400 751.8596 2048.3698 1932.6779 125.9876 -205766.8810 17610.4125 0.0000 0.0000 34344.5863 -148952.9873 299.9398 -183297.5736 -148859.0491 299.9735 -18.1914 6.6920 557465.6603 4.3640 4.2760 PRESSURE: 2497600 1.98155 -84.9409 -34.4305 -84.9406 -45.3651 174.959 -34.4303 174.958 82.8807 GPRESSURE: 2497600 14.1088 -10.1422 -52.1645 -50.6039 16.4015 159.15 -78.2575 107.555 112.157 PRESSAVG: 2497600 22.8309 -27.263 11.9826 -27.2629 -7.00429 -24.4715 11.9826 -24.4714 -26.9366 GPRESSAVG: 2497600 23.9501 -26.5944 13.1354 -28.1144 -6.91695 -22.2165 9.32234 -27.3079 -27.7451 TIMING: 2497600 CPU: 7452.08, 0.00295668/step Wall: 7452.08, 0.00295668/step, 2.05522 hours remaining, 208.066406 MB of memory in use. ENERGY: 2497600 748.2293 2039.8582 1919.5594 121.6031 -205852.6251 17658.2550 0.0000 0.0000 34430.8938 -148934.2264 300.6936 -183365.1202 -148830.0054 300.4759 13.1657 47.5559 557267.7489 -3.7033 -3.5706 PRESSURE: 2497800 152.214 26.7736 30.6082 26.7745 303.383 -92.9709 30.6083 -92.9723 59.3765 GPRESSURE: 2497800 209.048 35.8899 -13.8205 -38.3011 337.254 -120.59 68.659 -79.2762 69.8603 PRESSAVG: 2497800 9.18074 -49.1147 6.785 -49.1146 -6.1015 -7.87034 6.78509 -7.87032 29.511 GPRESSAVG: 2497800 8.3336 -49.4968 6.42179 -50.1176 -4.77726 -9.31327 8.96735 -3.88991 29.1722 TIMING: 2497800 CPU: 7452.68, 0.00296331/step Wall: 7452.68, 0.00296331/step, 2.05966 hours remaining, 208.066406 MB of memory in use. ENERGY: 2497800 732.7964 2086.6627 1888.0404 106.1224 -206263.3120 18080.6041 0.0000 0.0000 34398.4105 -148970.6755 300.4099 -183369.0860 -148875.6616 300.3486 171.6580 205.3877 556732.5648 10.8634 10.9095 PRESSURE: 2498000 -185.379 -68.8309 -187.817 -68.8311 -14.6109 -4.97917 -187.818 -4.97923 -175.563 GPRESSURE: 2498000 -105.417 -17.3566 -109.92 -89.739 -39.1212 -0.232969 -199.832 -45.1384 -124.898 PRESSAVG: 2498000 26.1665 -40.0362 -13.2575 -40.0362 -57.5021 -34.5805 -13.2576 -34.5805 -5.45528 GPRESSAVG: 2498000 26.0776 -39.655 -13.045 -39.534 -58.6817 -35.6833 -12.7723 -36.6632 -4.09337 TIMING: 2498000 CPU: 7453.27, 0.00295682/step Wall: 7453.27, 0.00295682/step, 2.05499 hours remaining, 208.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2498000 752.3741 2003.6715 1911.7354 108.1678 -205845.6569 17667.8995 0.0000 0.0000 34392.4500 -149009.3588 300.3578 -183401.8087 -148910.6980 300.2841 -125.1843 -89.8123 558786.8954 -12.2636 -12.2325 PRESSURE: 2498200 -206.651 -73.7061 -25.6086 -73.706 -31.8508 -55.6139 -25.607 -55.6135 -283.383 GPRESSURE: 2498200 -188.453 -72.3208 -106.614 -42.4901 -16.6746 -43.8715 45.3629 -36.8849 -223.719 PRESSAVG: 2498200 44.5215 -1.10242 -35.8994 -1.10243 -19.4559 -36.7345 -35.8993 -36.7345 5.80219 GPRESSAVG: 2498200 43.4499 -3.09351 -37.6339 -0.24163 -18.5607 -33.7991 -33.563 -38.3507 5.80854 TIMING: 2498200 CPU: 7453.86, 0.00296968/step Wall: 7453.86, 0.00296968/step, 2.06377 hours remaining, 208.066406 MB of memory in use. ENERGY: 2498200 697.1985 2085.9663 1921.7143 115.5507 -205930.3358 17631.7977 0.0000 0.0000 34449.3299 -149028.7785 300.8546 -183478.1084 -148931.4390 299.9980 -173.9616 -142.9488 558239.9863 10.2893 10.2326 PRESSURE: 2498400 76.443 -84.7167 -28.009 -84.7182 -394.906 91.4471 -28.0088 91.4449 272.895 GPRESSURE: 2498400 142.899 -86.8968 12.1648 24.3481 -389.546 151.186 -74.2531 39.4526 284.188 PRESSAVG: 2498400 -19.5131 -28.4767 9.52474 -28.4767 -16.3892 36.0675 9.52474 36.0675 16.7143 GPRESSAVG: 2498400 -18.7526 -26.8001 8.798 -28.2223 -16.6897 33.079 6.29877 40.1067 16.333 TIMING: 2498400 CPU: 7454.45, 0.00295109/step Wall: 7454.45, 0.00295109/step, 2.05068 hours remaining, 208.066406 MB of memory in use. ENERGY: 2498400 732.1810 2128.6193 1913.4950 113.2693 -206179.9619 17859.2045 0.0000 0.0000 34296.0476 -149137.1452 299.5159 -183433.1928 -149039.9392 299.8845 -15.1893 12.5136 557463.2915 -6.3960 -6.3698 PRESSURE: 2498600 37.7897 -14.0965 0.0958553 -14.0957 73.559 37.0872 0.0968595 37.0875 25.1757 GPRESSURE: 2498600 51.1025 -133.341 40.0408 31.5413 156.94 -63.7404 24.0436 106.131 35.1201 PRESSAVG: 2498600 66.7157 -30.5145 15.0911 -30.5145 -23.2177 -8.04798 15.0911 -8.04784 12.9402 GPRESSAVG: 2498600 67.1071 -31.7303 16.3252 -30.66 -23.026 -5.80173 15.7733 -12.2177 12.6363 TIMING: 2498600 CPU: 7455.04, 0.00296369/step Wall: 7455.04, 0.00296369/step, 2.05927 hours remaining, 208.066406 MB of memory in use. ENERGY: 2498600 745.0084 2054.1532 1901.3761 109.9702 -206064.8054 17695.2224 0.0000 0.0000 34390.1645 -149168.9105 300.3379 -183559.0750 -149071.9655 299.3170 45.5081 81.0541 555867.0494 18.8128 18.9058 PRESSURE: 2498800 -49.5527 -99.0254 80.8544 -99.0248 -189.029 45.1533 80.8527 45.1521 -120.379 GPRESSURE: 2498800 -57.4624 -189.799 100.783 -71.1977 -146.839 114.443 13.6131 3.01634 -56.9568 PRESSAVG: 2498800 40.5681 -51.7501 58.9261 -51.7501 -35.2818 28.4333 58.9262 28.4333 -0.696311 GPRESSAVG: 2498800 39.8494 -50.2608 57.6411 -54.0797 -33.8599 27.2576 60.2132 30.0744 -0.666929 TIMING: 2498800 CPU: 7455.64, 0.00298394/step Wall: 7455.64, 0.00298394/step, 2.07318 hours remaining, 208.066406 MB of memory in use. ENERGY: 2498800 730.1775 2129.5887 1908.6246 121.5362 -205818.3049 17535.8564 0.0000 0.0000 34257.6476 -149134.8738 299.1806 -183392.5215 -149041.1557 299.2442 -119.6533 -87.0861 558688.7026 1.5300 1.7742 PRESSURE: 2499000 -72.1936 11.4903 5.44522 11.4893 1.09182 -7.14824 5.4463 -7.14816 -176.312 GPRESSURE: 2499000 -43.7484 -68.884 38.1716 10.8128 -12.5833 -14.1663 -5.00512 -11.5018 -105.425 PRESSAVG: 2499000 -36.2284 -19.7781 -12.0367 -19.7782 10.5126 18.0077 -12.0368 18.0077 28.4929 GPRESSAVG: 2499000 -35.9054 -20.2414 -10.9408 -16.8896 9.16224 16.6446 -13.0177 17.3157 29.2198 TIMING: 2499000 CPU: 7456.23, 0.00297104/step Wall: 7456.23, 0.00297104/step, 2.06405 hours remaining, 208.066406 MB of memory in use. ENERGY: 2499000 756.3301 2132.6047 1911.3140 106.5761 -206310.5813 17806.5901 0.0000 0.0000 34333.8813 -149263.2850 299.8463 -183597.1663 -149165.9046 299.7821 -82.4713 -53.9189 558626.8943 0.9257 0.8255 PRESSURE: 2499200 -197.181 -86.7343 -208.238 -86.7353 -149.849 41.4637 -208.24 41.4627 -9.22646 GPRESSURE: 2499200 -245.944 -55.7561 -260.44 -48.0243 -88.6609 29.1462 -179.043 29.0222 73.24 PRESSAVG: 2499200 -102.133 3.17806 9.7257 3.17799 14.353 -2.41686 9.72565 -2.41692 81.9153 GPRESSAVG: 2499200 -102.494 4.1694 9.7489 1.17152 14.3433 -0.966012 9.42773 -0.983509 82.1901 TIMING: 2499200 CPU: 7456.83, 0.00296979/step Wall: 7456.83, 0.00296979/step, 2.06301 hours remaining, 208.066406 MB of memory in use. ENERGY: 2499200 745.3181 2097.7248 1923.7359 116.1117 -206070.9034 17719.9155 0.0000 0.0000 34252.5178 -149215.5796 299.1358 -183468.0974 -149124.2694 299.6851 -118.7520 -87.1216 558308.5967 -1.9548 -1.9868 PRESSURE: 2499400 67.0404 -23.5312 56.1725 -23.5304 72.4876 198.131 56.1731 198.133 59.7452 GPRESSURE: 2499400 40.2545 -16.9857 98.9118 -104.114 116.679 189.894 -51.1725 95.688 128.121 PRESSAVG: 2499400 -30.7768 -19.8111 -1.11125 -19.8111 32.671 10.4154 -1.11127 10.4155 -25.8218 GPRESSAVG: 2499400 -30.7103 -20.6842 1.16164 -18.5932 33.7173 10.4358 -1.17288 10.3395 -26.9527 TIMING: 2499400 CPU: 7457.42, 0.00297009/step Wall: 7457.42, 0.00297009/step, 2.06306 hours remaining, 208.066406 MB of memory in use. ENERGY: 2499400 680.2492 2119.8615 1914.4672 104.3564 -206273.8240 17881.8208 0.0000 0.0000 34374.4594 -149198.6095 300.2007 -183573.0689 -149099.9893 299.0893 66.4244 95.0183 558477.8999 -7.9758 -7.9819 PRESSURE: 2499600 -40.6781 -156.431 -102.369 -156.431 -39.3175 -15.9269 -102.369 -15.9265 37.8346 GPRESSURE: 2499600 3.88193 -34.1629 -94.8152 -210.606 -5.04101 -33.0653 -137.876 20.9854 48.666 PRESSAVG: 2499600 -24.5606 -23.8551 -16.8497 -23.8551 46.9173 31.5917 -16.8497 31.5918 37.6671 GPRESSAVG: 2499600 -24.0379 -23.1381 -19.5141 -26.3328 46.9763 32.8241 -18.8616 32.3471 38.5832 TIMING: 2499600 CPU: 7458.01, 0.00294172/step Wall: 7458.01, 0.00294172/step, 2.04319 hours remaining, 208.066406 MB of memory in use. ENERGY: 2499600 745.5666 2101.8466 1938.3637 112.6794 -206096.7347 17661.6193 0.0000 0.0000 34306.4141 -149230.2450 299.6064 -183536.6591 -149146.6492 298.8717 -14.0537 15.8357 557767.8182 20.0079 20.5072 PRESSURE: 2499800 -224.294 -115.46 -145.212 -115.46 53.08 143.787 -145.213 143.787 165.246 GPRESSURE: 2499800 -171.603 -93.213 -182.785 -69.6476 10.2382 111.697 -114.172 126.19 242.334 PRESSAVG: 2499800 -57.5769 2.093 -33.8435 2.09293 -45.2218 -12.5131 -33.8435 -12.5132 53.1906 GPRESSAVG: 2499800 -57.5732 1.17854 -34.3018 2.5082 -45.0196 -14.3912 -29.6331 -13.7716 53.1735 TIMING: 2499800 CPU: 7458.6, 0.00293854/step Wall: 7458.6, 0.00293854/step, 2.04082 hours remaining, 208.066406 MB of memory in use. ENERGY: 2499800 768.7737 2129.0510 1930.6265 118.2101 -206259.9039 17767.8792 0.0000 0.0000 34239.5027 -149305.8608 299.0221 -183545.3635 -149204.1686 299.1163 -1.9895 26.9895 557514.2859 -16.5360 -16.4731 PRESSURE: 2500000 -68.4507 -285.747 -54.8206 -285.746 -182.29 30.3845 -54.8209 30.3848 -16.864 GPRESSURE: 2500000 -43.9412 -246.114 -90.4213 -266.388 -158.936 30.5395 -25.2412 43.2631 35.2639 PRESSAVG: 2500000 56.871 -71.9779 -47.1246 -71.9779 -36.9287 2.5784 -47.1247 2.57832 24.2971 GPRESSAVG: 2500000 57.1942 -72.3084 -47.876 -72.2069 -37.3577 1.89857 -45.5546 4.49883 24.3088 TIMING: 2500000 CPU: 7459.19, 0.00295704/step Wall: 7459.19, 0.00295704/step, 2.0535 hours remaining, 208.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2500000 761.7786 2110.5965 1935.8644 106.3882 -206264.4676 17687.8262 0.0000 0.0000 34393.0504 -149268.9632 300.3631 -183662.0136 -149166.3271 299.3908 -89.2014 -55.8710 557552.9743 14.7464 14.7151 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2500000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 2500000 WRITING COORDINATES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2500200 -151.301 32.1448 19.057 32.1452 76.2905 1.28027 19.0573 1.27984 93.5093 GPRESSURE: 2500200 -152.603 83.1585 -44.2095 67.8851 124.64 24.4314 1.56786 -27.5091 132.816 PRESSAVG: 2500200 -55.903 -60.5894 -29.27 -60.5894 31.2465 -22.8207 -29.2699 -22.8208 33.4401 GPRESSAVG: 2500200 -55.7015 -61.3255 -27.5917 -59.9731 31.104 -21.3279 -32.7718 -24.3539 33.1748 TIMING: 2500200 CPU: 7459.86, 0.00335244/step Wall: 7459.86, 0.00335244/step, 2.3279 hours remaining, 208.066406 MB of memory in use. ENERGY: 2500200 722.2071 2120.5711 1932.7960 120.1953 -206502.3382 17896.5247 0.0000 0.0000 34410.7564 -149299.2877 300.5177 -183710.0441 -149205.8319 298.8368 6.1663 34.9512 556680.1765 2.9278 2.8591 LDB: ============= START OF LOAD BALANCING ============== 7463.41 LDB: ============== END OF LOAD BALANCING =============== 7463.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7463.41 LDB: ============= START OF LOAD BALANCING ============== 7463.71 LDB: Largest compute 4773 load 0.027331 is 23.1% of average load 0.118197 LDB: Average compute 0.001748 is 1.5% of average load 0.118197 LDB: TIME 7463.71 LOAD: AVG 0.118197 MAX 0.203287 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.543 MB LDB: TIME 7463.71 LOAD: AVG 0.118197 MAX 0.203287 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.543 MB LDB: TIME 7463.71 LOAD: AVG 0.118197 MAX 0.203287 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.543 MB LDB: ============== END OF LOAD BALANCING =============== 7463.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7463.72 PRESSURE: 2500400 -61.101 127.826 -256.354 127.828 -20.869 -49.5499 -256.352 -49.5508 89.1542 GPRESSURE: 2500400 -55.8466 81.3485 -300.504 139.247 0.116024 -31.9176 -222.938 -83.067 163.725 PRESSAVG: 2500400 -11.4548 -26.3 20.083 -26.3 -19.6719 -32.5909 20.083 -32.5909 40.4346 GPRESSAVG: 2500400 -11.549 -24.5274 19.9961 -28.4025 -19.5029 -31.1157 19.8176 -33.6274 40.8639 TIMING: 2500400 CPU: 7460.47, 0.003048/step Wall: 7460.47, 0.003048/step, 2.11633 hours remaining, 208.824219 MB of memory in use. ENERGY: 2500400 759.1739 2110.3710 1917.7332 102.8402 -206580.7366 17809.6771 0.0000 0.0000 34600.6871 -149280.2542 302.1764 -183880.9413 -149180.8462 299.6898 2.3947 35.9982 556519.0769 3.1026 3.2706 PRESSURE: 2500600 -189.418 48.7036 8.72904 48.7039 -8.71344 -142.532 8.72802 -142.533 56.0891 GPRESSURE: 2500600 -115.975 17.8701 -28.1224 -7.01073 19.0426 -158.951 21.7532 -82.4801 68.4483 PRESSAVG: 2500600 -49.7533 2.75639 -45.2836 2.75635 -26.7386 -13.3237 -45.2837 -13.3237 74.5495 GPRESSAVG: 2500600 -49.804 3.14192 -45.0434 4.75358 -26.6977 -14.1905 -42.7169 -11.5413 74.6682 TIMING: 2500600 CPU: 7461.06, 0.00295913/step Wall: 7461.06, 0.00295913/step, 2.05446 hours remaining, 209.023438 MB of memory in use. ENERGY: 2500600 768.9101 2088.3838 1908.0474 92.1964 -206147.0753 17735.3551 0.0000 0.0000 34408.5493 -149145.6331 300.4984 -183554.1824 -149052.2113 299.3234 -47.3473 -9.4946 558378.7858 -0.6474 -0.6112 PRESSURE: 2500800 154.474 -37.9875 -44.46 -37.9875 -154.572 20.1939 -44.4582 20.1939 122.867 GPRESSURE: 2500800 216.765 -49.7492 -27.3998 44.3727 -182.29 13.0179 -24.7529 1.33746 177.255 PRESSAVG: 2500800 -5.13257 -26.5213 5.07029 -26.5212 -82.0326 7.08428 5.07042 7.08425 32.1923 GPRESSAVG: 2500800 -4.9851 -27.7697 4.68805 -26.3946 -82.0836 6.5598 2.69976 7.90623 31.685 TIMING: 2500800 CPU: 7461.66, 0.00297316/step Wall: 7461.66, 0.00297316/step, 2.06404 hours remaining, 209.023438 MB of memory in use. ENERGY: 2500800 752.9215 2138.7357 1943.4863 120.8540 -206339.8065 17895.6168 0.0000 0.0000 34304.4626 -149183.7296 299.5894 -183488.1921 -149088.0417 299.4267 40.9228 70.5766 556281.9739 -18.3243 -18.4613 PRESSURE: 2501000 -99.2251 -6.64523 -146.724 -6.6456 -11.9785 14.3389 -146.724 14.3387 16.2073 GPRESSURE: 2501000 -88.0866 -77.0684 -165.852 44.5409 44.2649 -22.4652 -120.077 -24.6231 43.5909 PRESSAVG: 2501000 -3.52655 8.38728 -24.9597 8.38709 16.0701 -7.66037 -24.9596 -7.66037 9.18339 GPRESSAVG: 2501000 -3.03235 7.99877 -24.8521 8.30411 16.2109 -7.38201 -25.3103 -10.0152 7.93087 TIMING: 2501000 CPU: 7462.25, 0.00297629/step Wall: 7462.25, 0.00297629/step, 2.06604 hours remaining, 209.023438 MB of memory in use. ENERGY: 2501000 779.1013 2043.7389 1939.7622 106.7812 -205989.6766 17772.1252 0.0000 0.0000 34105.3942 -149242.7736 297.8509 -183348.1678 -149142.5965 299.7785 -31.6654 -0.0769 557964.7857 7.2423 7.0365 PRESSURE: 2501200 -307.258 47.7 -23.6348 47.7013 53.2806 -1.91042 -23.634 -1.91129 26.4532 GPRESSURE: 2501200 -304.118 90.0858 -43.536 110.289 148.413 6.07631 70.9033 41.2018 25.7251 PRESSAVG: 2501200 -49.1065 30.2583 -11.8508 30.2584 -37.7859 -1.82351 -11.8509 -1.82353 41.4404 GPRESSAVG: 2501200 -49.7076 30.733 -12.7578 29.3027 -39.0775 -2.63329 -10.7152 -0.643399 42.7954 TIMING: 2501200 CPU: 7462.84, 0.00294568/step Wall: 7462.84, 0.00294568/step, 2.04463 hours remaining, 209.023438 MB of memory in use. ENERGY: 2501200 729.7039 2067.0573 1940.6718 98.5382 -206064.1158 17672.0551 0.0000 0.0000 34292.0576 -149264.0319 299.4811 -183556.0895 -149164.1112 298.9697 -75.8413 -43.3265 557898.0015 -15.1507 -15.3299 PRESSURE: 2501400 190.37 -72.1246 165.825 -72.1252 -18.8831 5.20343 165.826 5.20302 -190.364 GPRESSURE: 2501400 230.186 -113.001 188.479 -30.5929 -6.83135 -6.14173 106.307 30.9414 -148.596 PRESSAVG: 2501400 4.60587 7.28038 -1.05337 7.28041 16.9748 -48.6748 -1.05334 -48.6748 -4.39388 GPRESSAVG: 2501400 4.08991 7.99573 1.65477 8.19121 17.1254 -47.1333 -0.808603 -49.4585 -4.76948 TIMING: 2501400 CPU: 7463.43, 0.00296751/step Wall: 7463.43, 0.00296751/step, 2.05961 hours remaining, 209.023438 MB of memory in use. ENERGY: 2501400 734.8102 2073.2552 1942.4265 109.4441 -205947.2805 17724.1006 0.0000 0.0000 34215.8220 -149147.4220 298.8153 -183363.2439 -149056.0709 298.9450 -6.2923 24.9197 557521.7215 5.7289 5.4819 PRESSURE: 2501600 276.64 -58.6907 -57.3658 -58.6915 -185.459 97.5788 -57.3671 97.5779 81.6022 GPRESSURE: 2501600 284.833 -7.55317 46.2719 -36.4706 -164.676 109.224 -130.399 118.067 159.744 PRESSAVG: 2501600 75.8776 2.76468 -9.476 2.76462 -14.2039 -2.67986 -9.476 -2.67991 -31.8195 GPRESSAVG: 2501600 76.121 2.52963 -11.871 1.88948 -14.8349 -2.6515 -9.7986 -1.8441 -32.0276 TIMING: 2501600 CPU: 7464.03, 0.00295479/step Wall: 7464.03, 0.00295479/step, 2.05062 hours remaining, 209.023438 MB of memory in use. ENERGY: 2501600 740.0036 2079.7089 1920.5011 104.5216 -206062.2562 17977.3503 0.0000 0.0000 34295.7836 -148944.3870 299.5136 -183240.1706 -148841.0826 299.9003 57.5942 93.3004 557059.4535 9.9514 9.7528 PRESSURE: 2501800 -168.491 -33.294 120.183 -33.2949 146.887 3.81939 120.183 3.82059 12.301 GPRESSURE: 2501800 -115.848 -18.2571 191.296 9.22737 187.247 -8.43764 60.0414 -35.5248 14.6162 PRESSAVG: 2501800 34.9536 11.6793 -24.2374 11.6792 -9.49583 -16.5155 -24.2374 -16.5154 -13.2074 GPRESSAVG: 2501800 35.0168 11.7281 -23.254 13.0957 -9.10718 -18.8011 -23.3272 -16.3441 -13.6566 TIMING: 2501800 CPU: 7464.62, 0.00296032/step Wall: 7464.62, 0.00296032/step, 2.0543 hours remaining, 209.023438 MB of memory in use. ENERGY: 2501800 730.5870 2053.3427 1937.7377 113.0009 -206023.2225 17777.5641 0.0000 0.0000 34544.6319 -148866.3582 301.6869 -183410.9901 -148769.0664 299.8160 -3.1009 28.6716 557101.7487 4.0835 4.0844 PRESSURE: 2502000 314.589 -73.2423 31.3344 -73.2415 23.862 -158.523 31.3343 -158.523 424.158 GPRESSURE: 2502000 366.495 -42.3671 29.7417 -126.757 60.6655 -295.102 17.6628 -93.0741 427.097 PRESSAVG: 2502000 -8.66381 -45.5424 34.9652 -45.5423 -13.4993 1.90207 34.9652 1.90204 37.8201 GPRESSAVG: 2502000 -9.38309 -45.483 34.1601 -45.962 -13.5789 3.12277 35.1278 -0.262425 38.8979 TIMING: 2502000 CPU: 7465.21, 0.00296195/step Wall: 7465.21, 0.00296195/step, 2.05526 hours remaining, 209.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2502000 750.8342 2077.9292 1906.4243 106.6267 -206029.7883 18076.9505 0.0000 0.0000 34168.6289 -148942.3945 298.4031 -183111.0234 -148846.8469 300.3731 254.2030 284.7524 556552.0367 5.2190 5.3120 PRESSURE: 2502200 -16.3208 19.0044 220.48 19.0045 -241.442 170.71 220.48 170.71 -223.313 GPRESSURE: 2502200 32.5335 -1.99165 225.811 7.13422 -179.621 152.803 195.696 133.752 -248.634 PRESSAVG: 2502200 66.0513 -28.9528 14.6266 -28.9528 20.6097 -43.28 14.6265 -43.2799 -51.16 GPRESSAVG: 2502200 65.4019 -30.3695 14.4373 -28.7425 21.5039 -41.8475 12.9738 -43.6169 -52.4628 TIMING: 2502200 CPU: 7465.8, 0.00294316/step Wall: 7465.8, 0.00294316/step, 2.04206 hours remaining, 209.023438 MB of memory in use. ENERGY: 2502200 735.8118 2096.6724 1913.6968 113.7049 -205958.6378 17587.5897 0.0000 0.0000 34436.5336 -149074.6287 300.7428 -183511.1623 -148976.2629 299.4811 -160.3584 -131.9071 557201.4926 11.8337 11.4810 PRESSURE: 2502400 -41.7435 -1.2051 16.7665 -1.20472 50.1878 -85.1094 16.7683 -85.1075 35.2737 GPRESSURE: 2502400 -50.3248 -32.4063 9.64919 47.6635 119.152 -76.2775 -62.1181 -58.4844 63.073 PRESSAVG: 2502400 20.2682 -17.3257 32.5457 -17.3257 15.6963 -4.49322 32.5458 -4.49319 -16.7499 GPRESSAVG: 2502400 19.4703 -16.0238 32.1896 -16.7225 15.3912 -6.72846 32.755 -4.16213 -15.9025 TIMING: 2502400 CPU: 7466.39, 0.00293517/step Wall: 7466.39, 0.00293517/step, 2.03636 hours remaining, 209.023438 MB of memory in use. ENERGY: 2502400 763.2226 2092.0139 1887.8510 119.1011 -206024.5580 17838.2637 0.0000 0.0000 34302.9796 -149021.1262 299.5765 -183324.1058 -148916.8746 299.8842 14.5727 43.9667 557068.8779 6.4048 6.3196 PRESSURE: 2502600 68.7261 170.225 32.348 170.225 -107.975 111.034 32.3477 111.036 -147.375 GPRESSURE: 2502600 76.9449 129.922 125.722 211.471 -102.682 96.8268 26.321 114.762 -57.0683 PRESSAVG: 2502600 -35.3576 54.7524 33.3751 54.7524 -18.7212 19.8355 33.375 19.8355 56.5307 GPRESSAVG: 2502600 -34.0847 54.8441 35.3004 54.3284 -20.3375 20.1038 33.0496 22.1399 56.6661 TIMING: 2502600 CPU: 7466.98, 0.00297552/step Wall: 7466.98, 0.00297552/step, 2.06419 hours remaining, 209.023438 MB of memory in use. ENERGY: 2502600 726.4586 2078.9427 1903.5792 119.4029 -205830.2590 17773.1023 0.0000 0.0000 34524.4137 -148704.3594 301.5103 -183228.7731 -148601.0305 300.4355 -62.2080 -27.6017 558274.0875 0.8173 0.7480 PRESSURE: 2502800 20.9836 40.9281 28.9809 40.9286 -109.955 -22.548 28.9821 -22.5475 100.627 GPRESSURE: 2502800 61.6466 87.0078 100.315 12.7538 -64.9477 -32.1343 32.1338 -10.9084 110.561 PRESSAVG: 2502800 -40.7895 55.6074 24.65 55.6074 -13.2103 20.5496 24.6501 20.5496 15.7007 GPRESSAVG: 2502800 -40.8068 55.6533 22.7259 54.9528 -12.0934 22.0757 24.7769 18.2443 14.782 TIMING: 2502800 CPU: 7467.58, 0.00298089/step Wall: 7467.58, 0.00298089/step, 2.06774 hours remaining, 209.023438 MB of memory in use. ENERGY: 2502800 762.5328 2112.7881 1937.9403 111.5082 -205850.6772 17696.8622 0.0000 0.0000 34558.7874 -148670.2582 301.8105 -183229.0456 -148574.2269 300.6702 3.8854 35.7534 559255.6508 -12.7664 -12.7061 PRESSURE: 2503000 269.666 41.8419 -91.3283 41.8426 -156.258 -186.374 -91.3287 -186.374 71.7908 GPRESSURE: 2503000 249.803 -51.6928 7.51111 71.5923 -67.3355 -191.203 -85.9761 -173.764 98.404 PRESSAVG: 2503000 -11.9237 -42.0808 4.12455 -42.0808 -3.58772 -73.2651 4.12453 -73.2653 30.466 GPRESSAVG: 2503000 -11.5239 -41.205 5.5031 -41.9259 -3.61388 -73.7955 3.75243 -71.9433 29.6816 TIMING: 2503000 CPU: 7468.17, 0.00297111/step Wall: 7468.17, 0.00297111/step, 2.0608 hours remaining, 209.023438 MB of memory in use. ENERGY: 2503000 724.4429 2068.1936 1957.3792 119.4894 -205696.4055 17666.0019 0.0000 0.0000 34225.0451 -148935.8535 298.8958 -183160.8986 -148848.3086 300.1072 61.7327 93.6239 558396.8291 4.9849 4.8480 PRESSURE: 2503200 -202.252 -37.1347 227.903 -37.1358 -154.331 -186.586 227.902 -186.586 -63.514 GPRESSURE: 2503200 -114.647 49.1951 278.49 -43.0743 -153.765 -120.066 237.189 -267.087 -57.4534 PRESSAVG: 2503200 -46.7767 -11.3667 33.3124 -11.3667 -0.357185 -53.821 33.3124 -53.821 0.331971 GPRESSAVG: 2503200 -47.4581 -11.7392 33.4515 -11.53 -0.347232 -53.7479 34.3099 -52.3369 0.989437 TIMING: 2503200 CPU: 7468.76, 0.00295139/step Wall: 7468.76, 0.00295139/step, 2.04695 hours remaining, 209.023438 MB of memory in use. ENERGY: 2503200 736.5912 2106.0218 1913.3367 112.3737 -205534.8902 17607.0233 0.0000 0.0000 34182.5770 -148876.9665 298.5249 -183059.5435 -148775.5060 299.8437 -140.0323 -108.6219 558762.6114 -15.6006 -15.6053 PRESSURE: 2503400 151.899 39.7177 115.975 39.7168 -30.9882 10.8679 115.976 10.8675 49.2237 GPRESSURE: 2503400 204.61 -37.5182 126.065 106.598 1.90485 -9.82868 129.054 21.9133 58.0382 PRESSAVG: 2503400 92.0655 -25.308 56.1491 -25.3081 -7.71709 -47.873 56.1493 -47.873 -81.0026 GPRESSAVG: 2503400 92.5354 -25.8801 55.057 -24.867 -8.14877 -47.0412 57.8366 -48.3087 -80.7488 TIMING: 2503400 CPU: 7469.36, 0.0029687/step Wall: 7469.36, 0.0029687/step, 2.05879 hours remaining, 209.023438 MB of memory in use. ENERGY: 2503400 762.1003 2035.8258 1966.3198 108.2484 -205641.0053 17602.6609 0.0000 0.0000 34407.7867 -148758.0634 300.4918 -183165.8501 -148662.9675 299.9391 56.7116 88.1843 556167.2393 1.1153 1.2126 PRESSURE: 2503600 276.637 35.0536 -53.0246 35.0544 50.3157 25.3668 -53.0241 25.3664 123.761 GPRESSURE: 2503600 324.76 -6.08095 -33.7612 87.888 72.7641 92.4179 -129.574 0.791443 161.262 PRESSAVG: 2503600 -4.78368 -20.2659 54.8002 -20.2658 23.8754 -80.3523 54.8002 -80.3523 -27.6609 GPRESSAVG: 2503600 -5.75589 -21.3498 54.592 -19.1727 23.9502 -81.4039 54.3121 -82.3028 -26.7603 TIMING: 2503600 CPU: 7469.95, 0.00296918/step Wall: 7469.95, 0.00296918/step, 2.05896 hours remaining, 209.023438 MB of memory in use. ENERGY: 2503600 742.0122 2100.7881 1910.7353 108.3258 -206252.6240 17969.6402 0.0000 0.0000 34467.4263 -148953.6962 301.0126 -183421.1225 -148861.6144 300.5610 150.2378 186.2620 556398.4961 -2.8564 -2.8553 PRESSURE: 2503800 -113.674 7.40897 82.1143 7.40997 -205.492 34.1564 82.1144 34.1558 19.6423 GPRESSURE: 2503800 -60.2897 36.6389 81.0113 -98.7841 -218.729 87.3023 55.2246 27.3931 74.031 PRESSAVG: 2503800 62.7494 26.6673 16.5489 26.6672 -50.6497 -0.272288 16.549 -0.272176 7.36871 GPRESSAVG: 2503800 63.0623 29.3873 16.0372 25.4117 -50.5879 0.254785 16.2211 1.23162 6.95057 TIMING: 2503800 CPU: 7470.54, 0.00296784/step Wall: 7470.54, 0.00296784/step, 2.05787 hours remaining, 209.023438 MB of memory in use. ENERGY: 2503800 776.2201 2101.5836 1906.4160 115.7666 -205766.5605 17720.9283 0.0000 0.0000 34199.5868 -148946.0592 298.6735 -183145.6460 -148853.1320 300.1872 -99.8412 -68.3293 557878.9228 6.4895 6.4750 PRESSURE: 2504000 -204.989 -6.14399 114.082 -6.14317 -167.541 -113.458 114.081 -113.457 -382.753 GPRESSURE: 2504000 -155.949 -64.2368 112.418 24.6625 -110.553 -179.193 147.36 -76.3497 -396.646 PRESSAVG: 2504000 -18.6156 -5.02515 -14.0185 -5.02505 4.25751 13.6027 -14.0185 13.6028 -22.2322 GPRESSAVG: 2504000 -17.059 -6.26108 -13.9119 -4.71007 3.99503 13.5826 -13.3675 12.8481 -23.2476 TIMING: 2504000 CPU: 7471.14, 0.00297835/step Wall: 7471.14, 0.00297835/step, 2.06499 hours remaining, 209.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2504000 736.9906 2058.8200 1933.9666 113.1007 -205297.2222 17323.2215 0.0000 0.0000 34189.4565 -148941.6662 298.5850 -183131.1227 -148847.5689 299.5064 -251.7609 -221.0492 558859.7080 -12.1968 -12.1038 PRESSURE: 2504200 -121.444 -162.864 40.6576 -162.865 129.294 36.2412 40.6582 36.2392 -124.701 GPRESSURE: 2504200 -121.882 -40.1824 193.711 -299.635 120.925 115.186 -90.6744 64.1682 -4.26411 PRESSAVG: 2504200 -6.17158 -45.2433 -35.8238 -45.2433 -29.39 -2.93419 -35.8238 -2.93421 53.0456 GPRESSAVG: 2504200 -6.97388 -44.7908 -35.908 -46.6672 -30.4566 -3.30054 -38.3138 -2.58123 54.9028 TIMING: 2504200 CPU: 7471.73, 0.00293819/step Wall: 7471.73, 0.00293819/step, 2.03698 hours remaining, 209.023438 MB of memory in use. ENERGY: 2504200 742.5974 2079.2401 1936.1624 108.0979 -206115.9483 17909.3702 0.0000 0.0000 34299.3439 -149041.1364 299.5447 -183340.4803 -148948.8890 300.1607 -38.9505 -1.7402 559153.6884 5.8280 5.8241 LDB: ============= START OF LOAD BALANCING ============== 7475.27 LDB: ============== END OF LOAD BALANCING =============== 7475.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7475.27 LDB: ============= START OF LOAD BALANCING ============== 7475.57 LDB: Largest compute 4773 load 0.026783 is 22.7% of average load 0.118198 LDB: Average compute 0.001738 is 1.5% of average load 0.118198 LDB: TIME 7475.57 LOAD: AVG 0.118198 MAX 0.201003 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.203 MB LDB: TIME 7475.57 LOAD: AVG 0.118198 MAX 0.201003 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: TIME 7475.57 LOAD: AVG 0.118198 MAX 0.201003 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: ============== END OF LOAD BALANCING =============== 7475.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7475.58 PRESSURE: 2504400 28.7776 -123.809 -38.4091 -123.808 -266.629 167.742 -38.4077 167.742 -287.288 GPRESSURE: 2504400 22.318 -91.0364 5.16645 -84.0349 -213.546 224.857 -5.01742 73.1095 -230.427 PRESSAVG: 2504400 -12.7012 -92.3909 -28.4549 -92.3909 -31.6965 22.4581 -28.4548 22.4581 73.1994 GPRESSAVG: 2504400 -12.3079 -93.255 -26.8559 -92.7012 -30.275 22.6968 -26.8405 20.8006 71.6423 TIMING: 2504400 CPU: 7472.33, 0.00300162/step Wall: 7472.33, 0.00300162/step, 2.08079 hours remaining, 208.507812 MB of memory in use. ENERGY: 2504400 723.9500 2118.2383 1956.0940 120.2596 -205398.1799 17245.4275 0.0000 0.0000 34289.8935 -148944.3170 299.4622 -183234.2105 -148845.4406 299.3917 -175.0463 -140.5515 558076.0630 9.6005 9.6864 PRESSURE: 2504600 -184.769 10.0859 -157.695 10.0858 -35.1637 -152.358 -157.696 -152.358 -63.6125 GPRESSURE: 2504600 -170.681 63.6532 -160.253 22.8602 43.5205 -154.768 -170.243 -167.481 -57.5842 PRESSAVG: 2504600 12.9983 -38.0559 9.41035 -38.056 12.407 -15.6663 9.41031 -15.6664 15.4841 GPRESSAVG: 2504600 13.1772 -39.0556 7.6113 -34.4548 12.4113 -14.6262 8.6433 -16.5442 15.5145 TIMING: 2504600 CPU: 7472.92, 0.00296987/step Wall: 7472.92, 0.00296987/step, 2.05861 hours remaining, 208.765625 MB of memory in use. ENERGY: 2504600 771.4355 2092.9771 1966.9574 124.0779 -205702.4931 17729.3520 0.0000 0.0000 34351.8147 -148665.8786 300.0029 -183017.6932 -148569.5316 300.3633 -94.5151 -61.5815 558069.1707 13.6298 13.7010 PRESSURE: 2504800 -11.8345 -28.2734 -18.0259 -28.2728 -206.484 -86.9864 -18.0263 -86.9854 -56.2997 GPRESSURE: 2504800 -14.9913 -28.6451 -48.3451 -60.4321 -131.591 -129.589 27.5551 -1.73224 -39.893 PRESSAVG: 2504800 16.6778 -3.56407 13.569 -3.56402 -47.1209 -49.9086 13.569 -49.9086 10.9179 GPRESSAVG: 2504800 16.9192 -2.48723 15.1975 -6.95409 -46.475 -51.3629 12.3987 -47.9402 9.78721 TIMING: 2504800 CPU: 7473.51, 0.00296164/step Wall: 7473.51, 0.00296164/step, 2.05275 hours remaining, 208.839844 MB of memory in use. ENERGY: 2504800 722.5427 2091.4733 1959.0495 117.2709 -205538.8855 17497.4737 0.0000 0.0000 34509.7359 -148641.3395 301.3821 -183151.0755 -148543.7694 301.1190 -91.5396 -62.1584 559461.5249 -6.5084 -6.5896 PRESSURE: 2505000 28.2542 -182.678 -37.3117 -182.678 99.2512 80.4904 -37.3131 80.491 42.9992 GPRESSURE: 2505000 87.1734 -197.854 43.0074 -72.0451 127.033 48.3881 -191.297 -3.29442 51.2823 PRESSAVG: 2505000 -3.28308 -21.9179 -41.1231 -21.9179 21.3718 -34.7576 -41.1231 -34.7575 -30.0612 GPRESSAVG: 2505000 -4.47468 -22.5391 -43.5979 -18.8888 21.1868 -35.7645 -37.8819 -34.3352 -29.6538 TIMING: 2505000 CPU: 7474.11, 0.0030004/step Wall: 7474.11, 0.0030004/step, 2.07944 hours remaining, 208.839844 MB of memory in use. ENERGY: 2505000 733.0544 2055.6125 1931.8093 113.5939 -205684.4269 17709.3790 0.0000 0.0000 34371.2581 -148769.7196 300.1727 -183140.9778 -148678.2142 301.0183 56.8348 88.4961 557685.2574 -3.9908 -4.3139 PRESSURE: 2505200 90.1927 128.438 -206.549 128.438 71.8305 39.1548 -206.55 39.1541 -20.2866 GPRESSURE: 2505200 126.492 95.9275 -244.353 161.285 76.8503 -13.5466 -159.16 38.9503 20.5739 PRESSAVG: 2505200 9.50243 14.9926 -50.1167 14.9926 79.0158 -44.9652 -50.1167 -44.9652 -72.7814 GPRESSAVG: 2505200 8.89935 13.5674 -47.6754 13.4834 78.0975 -45.6792 -49.8711 -43.4086 -71.1586 TIMING: 2505200 CPU: 7474.71, 0.00296553/step Wall: 7474.71, 0.00296553/step, 2.05511 hours remaining, 208.839844 MB of memory in use. ENERGY: 2505200 736.2319 2030.0590 1939.5221 112.9620 -205827.9882 17748.0071 0.0000 0.0000 34389.4577 -148871.7484 300.3317 -183261.2061 -148768.7040 300.0762 47.2455 74.6388 557866.4478 5.2456 5.2794 PRESSURE: 2505400 124.362 -131.445 20.3039 -131.445 128.566 -79.433 20.3041 -79.4332 155.425 GPRESSURE: 2505400 104.725 -112.207 20.6853 -168.648 180.644 -38.7056 -15.6214 -121.676 223.292 PRESSAVG: 2505400 32.2451 -9.38297 -49.6997 -9.38306 27.08 4.94486 -49.6997 4.94485 -16.2178 GPRESSAVG: 2505400 32.2797 -8.25341 -49.3806 -10.4784 26.8256 7.94926 -52.4272 3.98701 -16.8015 TIMING: 2505400 CPU: 7475.3, 0.00295124/step Wall: 7475.3, 0.00295124/step, 2.04505 hours remaining, 208.839844 MB of memory in use. ENERGY: 2505400 763.1633 2087.1437 1929.0037 117.2143 -206318.3926 17992.4105 0.0000 0.0000 34377.4969 -149051.9602 300.2272 -183429.4571 -148958.2515 299.7468 136.1174 169.5534 556587.3500 14.3691 14.1013 PRESSURE: 2505600 219.549 122.556 114.424 122.556 130.098 -6.2853 114.425 -6.28459 56.0179 GPRESSURE: 2505600 241.552 85.793 139.19 161.111 135.452 4.06079 98.6397 43.6047 117.818 PRESSAVG: 2505600 40.91 -1.9579 -23.5172 -1.95789 5.69665 40.2792 -23.5172 40.2792 -49.067 GPRESSAVG: 2505600 40.9443 -2.86237 -26.1656 0.547584 6.04648 38.3694 -20.3849 39.2083 -49.9471 TIMING: 2505600 CPU: 7475.89, 0.00296516/step Wall: 7475.89, 0.00296516/step, 2.05453 hours remaining, 208.839844 MB of memory in use. ENERGY: 2505600 771.6738 2102.8408 1964.3195 109.6372 -206398.3232 17886.4410 0.0000 0.0000 34513.8717 -149049.5391 301.4182 -183563.4108 -148955.6341 300.4134 135.2215 164.9410 556176.3816 -0.8201 -0.9854 PRESSURE: 2505800 250.348 72.3385 106.787 72.3385 142.918 -44.0294 106.786 -44.0297 -94.877 GPRESSURE: 2505800 230.829 93.2264 132.39 109.009 210.427 -108.934 8.45542 25.891 -43.7436 PRESSAVG: 2505800 -8.87455 -3.02518 -3.79725 -3.02505 23.0104 7.99623 -3.79726 7.99627 10.8824 GPRESSAVG: 2505800 -9.6762 -1.98346 -2.76864 -4.71336 22.7675 9.2045 -4.74339 8.17349 11.1335 TIMING: 2505800 CPU: 7476.48, 0.00296728/step Wall: 7476.48, 0.00296728/step, 2.05583 hours remaining, 208.839844 MB of memory in use. ENERGY: 2505800 735.8570 2061.0179 1921.2718 104.4777 -205908.8758 17838.4547 0.0000 0.0000 34306.8864 -148940.9103 299.6106 -183247.7967 -148841.9023 300.1401 99.4628 132.5043 557407.4177 8.3394 8.0749 PRESSURE: 2506000 -97.3196 192.461 6.62757 192.462 38.3139 123.684 6.6269 123.686 -177.441 GPRESSURE: 2506000 -104.541 163.64 -33.3624 240.938 37.9341 78.8029 46.1754 140.633 -74.3542 PRESSAVG: 2506000 10.5203 -21.2556 46.7628 -21.2555 -8.79367 -13.9788 46.7627 -13.9786 -0.915885 GPRESSAVG: 2506000 11.2361 -19.9714 48.3868 -19.5381 -9.88327 -17.2936 46.0004 -13.0995 -0.498994 TIMING: 2506000 CPU: 7477.07, 0.00294886/step Wall: 7477.07, 0.00294886/step, 2.0429 hours remaining, 208.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2506000 759.5862 2076.7856 1929.9909 108.3861 -205861.4454 17763.6475 0.0000 0.0000 34173.2646 -149049.7844 298.4436 -183223.0490 -148948.3999 299.6299 -78.8157 -46.9871 558062.3316 0.2702 0.2846 PRESSURE: 2506200 182.574 20.5042 120.97 20.5032 -39.5692 73.6366 120.97 73.6368 232.871 GPRESSURE: 2506200 224.268 -23.8112 -7.06638 57.2557 -3.3456 -1.46459 249.244 70.8962 271.68 PRESSAVG: 2506200 -46.115 -1.66125 69.0914 -1.66119 -15.1608 -3.50152 69.0915 -3.50171 27.1479 GPRESSAVG: 2506200 -46.1954 -2.99266 67.9725 -1.22775 -14.608 -1.19084 70.587 -4.57291 26.6919 TIMING: 2506200 CPU: 7477.67, 0.00297087/step Wall: 7477.67, 0.00297087/step, 2.05799 hours remaining, 208.839844 MB of memory in use. ENERGY: 2506200 742.9504 2009.6922 1966.0967 111.7500 -206076.3645 17857.3143 0.0000 0.0000 34336.9588 -149051.6021 299.8732 -183388.5609 -148955.6691 300.3343 125.2921 164.2010 557776.4767 -11.3759 -11.3705 PRESSURE: 2506400 85.256 -100.867 82.6356 -100.866 151.707 -19.0316 82.6359 -19.0305 212.087 GPRESSURE: 2506400 94.1444 -103.451 129.997 -113.337 236.076 -37.5738 22.1455 53.8036 221.882 PRESSAVG: 2506400 -12.2378 21.246 -17.609 21.246 24.2419 -38.644 -17.609 -38.644 2.57175 GPRESSAVG: 2506400 -11.8474 21.3034 -18.7072 18.7941 23.3642 -36.6689 -18.9023 -38.8076 2.82923 TIMING: 2506400 CPU: 7478.26, 0.00295035/step Wall: 7478.26, 0.00295035/step, 2.04361 hours remaining, 208.839844 MB of memory in use. ENERGY: 2506400 730.7800 2014.1626 1948.6368 122.2318 -206296.2575 18013.2656 0.0000 0.0000 34145.8753 -149321.3055 298.2044 -183467.1808 -149227.3152 299.5109 149.6832 184.0341 557351.2680 4.8586 4.7820 PRESSURE: 2506600 17.7823 18.5704 11.5906 18.5708 122.867 16.825 11.5911 16.825 -220.66 GPRESSURE: 2506600 -18.928 -16.6046 20.6559 15.4419 176.862 63.6517 23.6242 23.1206 -143.535 PRESSAVG: 2506600 30.665 -15.126 -37.7778 -15.126 -32.15 -9.10698 -37.7778 -9.10704 -21.1455 GPRESSAVG: 2506600 31.1869 -16.3139 -36.6774 -13.6786 -33.1881 -11.7309 -38.166 -8.29565 -20.1448 TIMING: 2506600 CPU: 7478.85, 0.0029715/step Wall: 7478.85, 0.0029715/step, 2.05809 hours remaining, 208.839844 MB of memory in use. ENERGY: 2506600 746.7238 2137.1947 1938.5450 115.1432 -206629.2271 17997.3103 0.0000 0.0000 34346.1365 -149348.1736 299.9534 -183694.3101 -149257.4621 298.7777 -26.6700 4.7998 558770.5955 -7.5435 -7.3820 PRESSURE: 2506800 37.3816 -101.876 -123.493 -101.877 -9.86164 81.4833 -123.494 81.4831 -9.05752 GPRESSURE: 2506800 70.5001 -28.9291 -173.33 -123.162 -3.09537 122.344 -157.497 85.3468 42.1211 PRESSAVG: 2506800 23.6292 18.203 -49.3384 18.203 -14.8884 23.5546 -49.3384 23.5545 6.73674 GPRESSAVG: 2506800 23.6905 19.0707 -49.4622 17.3225 -13.4711 24.419 -51.0246 22.4649 5.602 TIMING: 2506800 CPU: 7479.45, 0.00297736/step Wall: 7479.45, 0.00297736/step, 2.06199 hours remaining, 208.839844 MB of memory in use. ENERGY: 2506800 753.7793 2034.0112 1926.5231 98.1385 -206321.1663 17883.5542 0.0000 0.0000 34340.7106 -149284.4493 299.9060 -183625.1600 -149193.7049 298.8622 6.1542 36.5086 557692.2122 5.1592 5.2738 PRESSURE: 2507000 160.797 -11.0311 -239.512 -11.0312 83.2418 101.773 -239.512 101.774 212.726 GPRESSURE: 2507000 205.426 25.4221 -191.363 -27.2717 140.053 53.3353 -216.994 137.486 205.15 PRESSAVG: 2507000 4.2473 41.4624 -31.0885 41.4623 -31.8113 40.9124 -31.0885 40.9124 -8.33539 GPRESSAVG: 2507000 2.53173 40.6672 -29.8638 43.0363 -30.681 39.3985 -30.1279 42.1187 -7.23461 TIMING: 2507000 CPU: 7480.04, 0.0029483/step Wall: 7480.04, 0.0029483/step, 2.0417 hours remaining, 208.839844 MB of memory in use. ENERGY: 2507000 766.2131 2058.0881 1929.6819 113.8130 -206635.5256 18167.0873 0.0000 0.0000 34257.8462 -149342.7960 299.1823 -183600.6422 -149246.5074 298.7117 152.2551 183.5431 557124.2573 -11.9664 -11.7946 PRESSURE: 2507200 -145.557 3.63401 264.702 3.63441 -481.761 -54.306 264.701 -54.305 17.4449 GPRESSURE: 2507200 -105.634 14.907 229.496 14.8388 -424.72 -128.77 201.392 -13.3051 11.7184 PRESSAVG: 2507200 -25.4265 27.8906 -48.76 27.8906 -3.48988 -53.4535 -48.7601 -53.4534 -2.72738 GPRESSAVG: 2507200 -25.0773 27.6468 -51.2625 27.9873 -4.13733 -53.6913 -49.6745 -53.8333 -2.49888 TIMING: 2507200 CPU: 7480.63, 0.00297481/step Wall: 7480.63, 0.00297481/step, 2.05989 hours remaining, 208.839844 MB of memory in use. ENERGY: 2507200 751.4107 1999.2819 1916.9787 105.0224 -205996.7302 17618.8693 0.0000 0.0000 34313.8488 -149291.3184 299.6714 -183605.1672 -149199.2029 299.5174 -203.2911 -172.8785 558895.9848 -10.5479 -10.5712 PRESSURE: 2507400 8.9623 -78.1493 38.4951 -78.1484 -181.342 -114.216 38.4932 -114.215 -182.939 GPRESSURE: 2507400 13.4606 -82.9577 122.814 -85.8265 -81.4948 -67.6216 6.56493 -102.205 -186.959 PRESSAVG: 2507400 47.0581 -28.2018 10.4304 -28.2018 -30.5352 -47.3561 10.4304 -47.356 -38.9596 GPRESSAVG: 2507400 47.2415 -27.3524 10.5917 -31.1303 -30.1564 -45.3818 12.5514 -49.2265 -39.8293 TIMING: 2507400 CPU: 7481.23, 0.00297307/step Wall: 7481.23, 0.00297307/step, 2.05852 hours remaining, 208.839844 MB of memory in use. ENERGY: 2507400 753.6136 2001.8596 1985.8184 118.0311 -206048.5537 17755.9602 0.0000 0.0000 33992.7904 -149440.4802 296.8675 -183433.2707 -149351.9195 298.6702 -118.4398 -84.9977 558710.1323 -7.4789 -7.5814 PRESSURE: 2507600 -57.9886 -72.7905 103.574 -72.7913 35.1666 38.437 103.572 38.438 -169.85 GPRESSURE: 2507600 -25.1968 -26.5987 15.8132 -132.597 50.9402 -31.9609 66.7531 60.12 -119.135 PRESSAVG: 2507600 -19.0576 -19.5916 30.9079 -19.5917 95.6013 -38.7571 30.908 -38.757 -5.26088 GPRESSAVG: 2507600 -20.0092 -19.5371 31.0017 -18.2174 95.0743 -39.9813 30.4208 -37.8732 -3.56743 TIMING: 2507600 CPU: 7481.82, 0.00296023/step Wall: 7481.82, 0.00296023/step, 2.04946 hours remaining, 208.839844 MB of memory in use. ENERGY: 2507600 736.5908 2038.4436 1938.2244 117.9637 -206121.8765 17843.5684 0.0000 0.0000 34060.0344 -149387.0512 297.4548 -183447.0856 -149295.1161 299.3248 -64.2241 -31.1304 558258.2246 23.7609 23.8326 PRESSURE: 2507800 -62.7383 -182.681 199.773 -182.682 130.605 74.7252 199.773 74.7268 -96.9268 GPRESSURE: 2507800 -25.751 -145.562 162.287 -144.959 180.066 53.6658 221.732 99.3518 -80.6644 PRESSAVG: 2507800 -10.6576 -27.3998 39.4053 -27.3998 5.93397 40.4332 39.4052 40.4332 -26.2976 GPRESSAVG: 2507800 -9.806 -28.8607 41.4408 -25.4806 6.93128 41.6513 37.4167 41.3326 -28.0712 TIMING: 2507800 CPU: 7482.42, 0.00300296/step Wall: 7482.42, 0.00300296/step, 2.07888 hours remaining, 208.839844 MB of memory in use. ENERGY: 2507800 756.4783 2046.6485 1943.7809 113.7648 -206329.7221 17834.1631 0.0000 0.0000 34359.7588 -149275.1277 300.0723 -183634.8866 -149187.7787 298.9079 -9.6867 24.5503 557361.1790 -10.3404 -10.3153 PRESSURE: 2508000 -357.963 -153.482 7.23661 -153.482 263.885 -95.3645 7.2367 -95.3637 62.1646 GPRESSURE: 2508000 -329.596 -178.128 50.392 -155.459 335.248 -77.8635 16.6251 -14.7426 63.6535 PRESSAVG: 2508000 -66.9053 -84.6235 13.3673 -84.6235 9.46852 33.8495 13.3673 33.8495 32.241 GPRESSAVG: 2508000 -68.002 -80.26 11.2691 -87.2477 9.50981 32.4003 15.1115 33.8995 32.8215 TIMING: 2508000 CPU: 7483.02, 0.00299637/step Wall: 7483.02, 0.00299637/step, 2.07416 hours remaining, 208.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2508000 724.8867 2056.8174 1932.7327 104.7561 -206107.6098 17776.8421 0.0000 0.0000 34209.6759 -149301.8989 298.7616 -183511.5747 -149208.6137 299.5404 -10.6380 23.1020 556933.8745 -8.3986 -8.5569 PRESSURE: 2508200 -211.799 59.5826 136.767 59.5828 -255.693 -132.412 136.767 -132.41 37.8108 GPRESSURE: 2508200 -133.935 -34.1821 168.794 76.6364 -227.258 -93.3385 81.7619 -151.206 29.4206 PRESSAVG: 2508200 -36.372 8.3649 13.2735 8.36494 -54.0935 -36.8373 13.2736 -36.8373 65.4952 GPRESSAVG: 2508200 -35.6749 4.86428 15.1271 10.4927 -55.1664 -36.7758 11.078 -38.7724 65.3625 TIMING: 2508200 CPU: 7483.62, 0.00298787/step Wall: 7483.62, 0.00298787/step, 2.06811 hours remaining, 208.839844 MB of memory in use. ENERGY: 2508200 736.0010 1972.8830 1944.3347 102.5403 -205918.5976 17528.6998 0.0000 0.0000 34238.4002 -149395.7386 299.0125 -183634.1388 -149294.9640 298.9465 -143.2269 -110.5909 557994.0015 -8.3234 -8.4929 LDB: ============= START OF LOAD BALANCING ============== 7487.16 LDB: ============== END OF LOAD BALANCING =============== 7487.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7487.16 LDB: ============= START OF LOAD BALANCING ============== 7487.46 LDB: Largest compute 4796 load 0.025529 is 21.6% of average load 0.118193 LDB: Average compute 0.001735 is 1.5% of average load 0.118193 LDB: TIME 7487.46 LOAD: AVG 0.118193 MAX 0.203042 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.836 MB LDB: TIME 7487.46 LOAD: AVG 0.118193 MAX 0.203042 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.836 MB LDB: TIME 7487.46 LOAD: AVG 0.118193 MAX 0.203042 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.836 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7487.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7487.47 PRESSURE: 2508400 -40.3573 -242.704 -79.4669 -242.704 85.3818 -149.056 -79.4663 -149.056 115.261 GPRESSURE: 2508400 21.5863 -203.633 -172.644 -162.012 115.397 -144.063 -30.4385 -146.974 119.504 PRESSAVG: 2508400 -18.8352 52.2353 -10.0069 52.2352 -13.5812 -47.4624 -10.0068 -47.4623 13.8531 GPRESSAVG: 2508400 -18.6601 52.0715 -11.5719 51.8178 -13.2703 -46.4249 -8.35789 -48.0208 13.0181 TIMING: 2508400 CPU: 7484.22, 0.00300464/step Wall: 7484.22, 0.00300464/step, 2.07954 hours remaining, 207.285156 MB of memory in use. ENERGY: 2508400 720.0863 2012.3711 1943.7905 120.4248 -205994.0670 17876.9130 0.0000 0.0000 34143.6657 -149176.8156 298.1851 -183320.4814 -149076.5169 299.2587 53.4285 85.4960 558371.1238 -6.1878 -6.3041 PRESSURE: 2508600 -150.286 187.123 52.2682 187.124 -89.266 28.3744 52.2674 28.3742 -66.7007 GPRESSURE: 2508600 -120.383 81.3461 4.95713 225.789 -82.1907 27.6582 -39.6458 32.1986 -7.14863 PRESSAVG: 2508600 0.839679 7.19542 42.6463 7.1954 -27.3948 73.0149 42.6464 73.0149 80.5142 GPRESSAVG: 2508600 0.429231 8.86653 43.4667 7.18787 -27.4709 71.8306 42.5051 74.7316 81.1016 TIMING: 2508600 CPU: 7484.81, 0.00296826/step Wall: 7484.81, 0.00296826/step, 2.0542 hours remaining, 207.355469 MB of memory in use. ENERGY: 2508600 751.0578 2080.2749 1921.2001 105.4509 -206039.3883 17747.7355 0.0000 0.0000 34360.0489 -149073.6203 300.0749 -183433.6692 -148974.6959 299.6423 -102.0841 -69.9074 558090.8622 17.9864 18.0200 PRESSURE: 2508800 -222.605 -71.2224 107.303 -71.2229 -37.4798 -11.8694 107.301 -11.8704 -130.376 GPRESSURE: 2508800 -157.56 85.8609 107.867 -190.275 -90.8585 -49.3561 110.407 -5.21028 -56.2887 PRESSAVG: 2508800 16.7378 -12.517 22.041 -12.517 -33.2979 43.078 22.0411 43.0781 -20.1002 GPRESSAVG: 2508800 17.0823 -11.5751 22.6912 -15.0302 -33.1393 42.5858 21.7303 43.4075 -19.5042 TIMING: 2508800 CPU: 7485.4, 0.00297147/step Wall: 7485.4, 0.00297147/step, 2.05626 hours remaining, 207.355469 MB of memory in use. ENERGY: 2508800 734.0187 2026.9100 1936.0583 110.0447 -205671.1717 17426.9110 0.0000 0.0000 34230.7053 -149206.5237 298.9453 -183437.2290 -149106.7353 298.9633 -130.1535 -101.5692 557863.2879 -12.2201 -11.8537 PRESSURE: 2509000 86.7537 -83.8245 67.6842 -83.8238 53.0247 41.9349 67.6868 41.9335 -203.502 GPRESSURE: 2509000 124.425 -40.4818 102.434 -120.703 102.149 -17.3058 44.7637 101.077 -195.278 PRESSAVG: 2509000 54.1142 -7.22673 68.1081 -7.22678 36.8174 3.55545 68.1082 3.55545 -17.2493 GPRESSAVG: 2509000 54.7085 -5.33796 65.9381 -6.18741 37.5646 3.16953 67.6186 1.63163 -18.2279 TIMING: 2509000 CPU: 7486, 0.0029892/step Wall: 7486, 0.0029892/step, 2.06836 hours remaining, 207.355469 MB of memory in use. ENERGY: 2509000 743.6438 2021.4903 1937.9460 113.6869 -206415.4011 17887.4306 0.0000 0.0000 34345.3627 -149365.8407 299.9466 -183711.2035 -149264.6699 299.8214 -21.2412 10.4318 557378.6663 24.5608 24.6817 PRESSURE: 2509200 17.4762 -258.982 -131.132 -258.982 348.618 76.7393 -131.134 76.7384 -149.375 GPRESSURE: 2509200 -6.97636 -195.169 -146.427 -242.574 410.437 180.403 -105.826 15.0089 -80.4234 PRESSAVG: 2509200 -70.6209 -28.6795 -43.8725 -28.6794 46.0594 28.0006 -43.8725 28.0006 19.9054 GPRESSAVG: 2509200 -71.0408 -30.2847 -41.8732 -27.0299 45.3734 29.762 -45.218 28.0569 21.0002 TIMING: 2509200 CPU: 7486.59, 0.00296374/step Wall: 7486.59, 0.00296374/step, 2.05058 hours remaining, 207.355469 MB of memory in use. ENERGY: 2509200 738.6173 2063.7073 1955.5340 105.4020 -206620.6210 18016.1483 0.0000 0.0000 34447.5034 -149293.7087 300.8386 -183741.2121 -149194.2011 299.2030 72.2396 107.6791 556830.4102 -1.5520 -1.5557 PRESSURE: 2509400 27.56 -96.3065 -84.927 -96.308 173.709 250.739 -84.9271 250.736 75.617 GPRESSURE: 2509400 71.9752 -40.2959 -92.7404 -36.4594 260.702 199.425 -148.09 206.019 60.0162 PRESSAVG: 2509400 -7.74801 -23.0745 -31.4183 -23.0745 38.768 4.77753 -31.4184 4.77736 -17.109 GPRESSAVG: 2509400 -9.14283 -23.8499 -32.5444 -23.5465 40.0671 4.1421 -29.9242 5.85267 -17.1458 TIMING: 2509400 CPU: 7487.19, 0.0029803/step Wall: 7487.19, 0.0029803/step, 2.06187 hours remaining, 207.355469 MB of memory in use. ENERGY: 2509400 745.9452 2128.9974 1910.9723 112.3283 -206310.5754 17963.9820 0.0000 0.0000 34323.8857 -149124.4645 299.7590 -183448.3502 -149026.1583 299.4559 92.2953 130.8978 556473.5659 4.6370 4.5928 PRESSURE: 2509600 101.409 -73.1087 -121.598 -73.1092 36.3939 -106.661 -121.598 -106.66 233.128 GPRESSURE: 2509600 126.161 -89.7071 -4.60466 -127.457 80.77 -122.575 -166.897 -74.865 268.59 PRESSAVG: 2509600 -50.9481 -41.8609 -33.4088 -41.861 58.6611 -5.87361 -33.4088 -5.87368 -8.69495 GPRESSAVG: 2509600 -50.6104 -43.3302 -33.0749 -41.6367 58.5759 -6.51387 -34.5217 -5.83662 -8.85575 TIMING: 2509600 CPU: 7487.78, 0.00296959/step Wall: 7487.78, 0.00296959/step, 2.05429 hours remaining, 207.355469 MB of memory in use. ENERGY: 2509600 706.8969 2069.1740 1928.1651 109.5375 -206201.1038 18037.6651 0.0000 0.0000 34211.9604 -149137.7047 298.7816 -183349.6651 -149037.6548 299.3861 123.6436 158.5070 558175.5048 -0.3273 -0.2967 PRESSURE: 2509800 38.5663 -24.7183 21.9229 -24.7179 -55.809 -79.4721 21.9216 -79.472 34.7686 GPRESSURE: 2509800 56.1124 -15.8008 -43.6909 -0.588802 6.99395 14.7539 -31.2264 -161.374 44.6006 PRESSAVG: 2509800 34.7686 3.04031 19.4557 3.04027 -20.857 -14.4267 19.4558 -14.4266 -7.79764 GPRESSAVG: 2509800 35.0749 4.32467 17.533 3.40926 -21.8237 -13.7027 20.5243 -15.1394 -7.23859 TIMING: 2509800 CPU: 7488.38, 0.00295177/step Wall: 7488.38, 0.00295178/step, 2.04181 hours remaining, 207.355469 MB of memory in use. ENERGY: 2509800 742.1460 2103.8867 1935.9009 120.8279 -206399.5089 17852.7498 0.0000 0.0000 34422.9048 -149221.0927 300.6238 -183643.9975 -149123.2679 299.6729 5.8420 35.9023 558461.5329 2.0380 2.0042 PRESSURE: 2510000 80.6416 82.1212 161.223 82.1207 -22.7182 129.48 161.223 129.482 154.817 GPRESSURE: 2510000 132.436 56.6492 124.958 31.5524 -18.5095 94.2544 192.749 138.995 194.22 PRESSAVG: 2510000 40.4762 10.8279 10.3301 10.8279 -13.9998 -7.59766 10.3302 -7.59779 59.1591 GPRESSAVG: 2510000 41.2256 10.4313 10.286 10.3154 -14.0123 -8.12486 12.4694 -8.36075 58.6093 TIMING: 2510000 CPU: 7488.97, 0.00297404/step Wall: 7488.97, 0.00297404/step, 2.05705 hours remaining, 207.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2510000 744.1182 2102.7033 1927.2344 97.2438 -206030.9811 17793.2295 0.0000 0.0000 34359.5928 -149006.8592 300.0709 -183366.4520 -148906.5555 299.8133 70.9135 102.7154 556698.8602 28.5452 28.6075 PRESSURE: 2510200 -120.371 41.4654 -143.889 41.4666 -196.827 -102.126 -143.888 -102.126 -19.7709 GPRESSURE: 2510200 -63.0041 106.876 -156.31 25.9766 -142.423 -108.773 -157.051 -139.374 -27.5743 PRESSAVG: 2510200 -20.0401 -33.3051 40.4329 -33.305 -1.60921 31.788 40.433 31.788 20.8301 GPRESSAVG: 2510200 -20.8171 -32.7374 42.2226 -33.7613 -1.05337 31.1619 37.5552 32.4908 20.9178 TIMING: 2510200 CPU: 7489.56, 0.00297522/step Wall: 7489.56, 0.00297522/step, 2.05769 hours remaining, 207.355469 MB of memory in use. ENERGY: 2510200 783.8392 2079.6865 1937.4562 98.0216 -205870.0639 17718.0010 0.0000 0.0000 34322.5248 -148930.5348 299.7471 -183253.0595 -148833.1379 300.3390 -112.3231 -77.6672 559650.2668 -0.2731 -0.3176 PRESSURE: 2510400 48.1154 195.741 -207.734 195.742 -165.918 -96.2246 -207.734 -96.2249 -266.318 GPRESSURE: 2510400 63.0918 183.171 -236.64 167.628 -119.195 -35.1444 -186.14 -128.281 -237.563 PRESSAVG: 2510400 -43.9501 -14.3555 -34.8475 -14.3554 61.2762 -38.6055 -34.8475 -38.6054 -41.3843 GPRESSAVG: 2510400 -43.339 -15.4459 -34.9388 -13.0457 59.9267 -37.3662 -33.6867 -37.2047 -40.5304 TIMING: 2510400 CPU: 7490.16, 0.00296356/step Wall: 7490.16, 0.00296356/step, 2.04947 hours remaining, 207.355469 MB of memory in use. ENERGY: 2510400 739.0129 2104.1431 1940.6292 102.4903 -205792.5492 17601.8492 0.0000 0.0000 34198.4800 -149105.9445 298.6638 -183304.4245 -149001.6967 299.6427 -128.0402 -97.8886 557295.1666 -8.0194 -7.9809 PRESSURE: 2510600 60.6448 70.5952 33.2108 70.5949 231.638 -36.0044 33.2098 -36.0038 290.843 GPRESSURE: 2510600 87.5268 108.651 27.5193 131.183 273.114 -11.6145 -27.4424 44.3423 320.165 PRESSAVG: 2510600 29.4912 -2.54942 -51.4177 -2.54947 -14.728 46.7872 -51.4177 46.7872 15.0855 GPRESSAVG: 2510600 28.8001 -0.949742 -51.3671 -3.67467 -13.825 46.2955 -50.6522 46.0932 14.9743 TIMING: 2510600 CPU: 7490.75, 0.00294136/step Wall: 7490.75, 0.00294136/step, 2.03395 hours remaining, 207.355469 MB of memory in use. ENERGY: 2510600 710.7374 2164.4363 1948.3052 118.9663 -206466.0343 18055.4367 0.0000 0.0000 34447.5151 -149020.6372 300.8387 -183468.1523 -148926.8533 299.9437 194.3753 226.9353 556008.3969 9.9495 9.9831 PRESSURE: 2510800 -37.1188 142.164 165.716 142.165 -52.9375 -11.5906 165.715 -11.5913 158.892 GPRESSURE: 2510800 -38.7425 45.9544 175.287 166.451 22.6329 20.7089 109.232 -70.9564 192.952 PRESSAVG: 2510800 -38.5122 49.5392 2.16222 49.5391 6.98037 22.6565 2.16216 22.6566 58.7051 GPRESSAVG: 2510800 -38.9201 48.3847 2.11972 50.0436 7.51564 25.385 1.60472 19.6459 58.9209 TIMING: 2510800 CPU: 7491.33, 0.00294011/step Wall: 7491.33, 0.00294011/step, 2.03292 hours remaining, 207.355469 MB of memory in use. ENERGY: 2510800 756.6764 2040.5074 1923.3121 111.5163 -205907.1115 17823.4738 0.0000 0.0000 34025.4565 -149226.1689 297.1528 -183251.6254 -149132.6783 299.0428 22.9452 58.9473 557686.3233 9.0578 9.1721 PRESSURE: 2511000 -90.1034 27.5822 -12.9046 27.5832 47.907 -20.0215 -12.9051 -20.02 -49.799 GPRESSURE: 2511000 -44.4798 86.8194 7.765 131.607 114.817 -64.1115 59.4081 -86.1618 -70.2174 PRESSAVG: 2511000 -39.8458 -7.8396 -21.792 -7.83956 39.3335 7.39342 -21.792 7.39336 -16.6795 GPRESSAVG: 2511000 -38.613 -8.07667 -22.5942 -6.8585 39.4161 3.30759 -20.7694 9.83713 -17.718 TIMING: 2511000 CPU: 7491.92, 0.00294083/step Wall: 7491.92, 0.00294083/step, 2.03326 hours remaining, 207.355469 MB of memory in use. ENERGY: 2511000 751.3958 2081.2355 1943.7738 117.7592 -206624.5941 18038.1327 0.0000 0.0000 34349.6066 -149342.6904 299.9837 -183692.2971 -149251.8392 298.9469 -30.6651 0.0399 557553.6465 -5.7306 -5.6383 PRESSURE: 2511200 -109.878 83.5861 15.0647 83.585 161.625 -66.0649 15.0641 -66.0664 2.64682 GPRESSURE: 2511200 -52.0379 -1.01761 -49.1986 114.26 239.869 41.7951 78.2095 -128.927 -44.9428 PRESSAVG: 2511200 -1.11609 4.33595 -26.7663 4.33588 48.7765 12.3604 -26.7662 12.3604 -12.9227 GPRESSAVG: 2511200 -0.991778 4.29042 -26.5145 2.07542 48.962 13.1175 -27.0375 14.3585 -13.2694 TIMING: 2511200 CPU: 7492.52, 0.00297207/step Wall: 7492.52, 0.00297207/step, 2.05469 hours remaining, 207.355469 MB of memory in use. ENERGY: 2511200 704.0544 2110.3053 1931.1898 120.8347 -205968.5920 17741.8542 0.0000 0.0000 34202.1675 -149158.1861 298.6960 -183360.3536 -149072.8744 299.1550 18.1314 47.6293 557219.9569 11.5792 11.5669 PRESSURE: 2511400 -201.835 -181.892 31.6713 -181.891 -48.1268 1.7577 31.6717 1.75829 -132.755 GPRESSURE: 2511400 -238.705 -160.998 -54.8827 -224.213 17.5701 -39.2367 92.4451 97.7208 -69.1944 PRESSAVG: 2511400 -2.34837 -12.6763 -13.2823 -12.6763 16.0073 -24.6218 -13.2822 -24.6217 -9.10717 GPRESSAVG: 2511400 -4.24664 -12.6025 -14.0384 -10.9313 15.8521 -23.8799 -14.0514 -26.2638 -7.17325 TIMING: 2511400 CPU: 7493.11, 0.00294299/step Wall: 7493.11, 0.00294299/step, 2.03442 hours remaining, 207.355469 MB of memory in use. ENERGY: 2511400 752.6941 2127.7132 1955.1450 113.7528 -205482.5669 17394.9390 0.0000 0.0000 34076.8119 -149061.5110 297.6013 -183138.3229 -148962.4368 299.1122 -127.5723 -96.7763 558791.5246 1.5172 1.4774 PRESSURE: 2511600 -170.477 -96.8535 133.373 -96.8531 -240.192 58.0622 133.372 58.0622 -34.0574 GPRESSURE: 2511600 -166.854 -110.313 73.6904 -27.9889 -201.378 102.338 150.158 91.6287 14.603 PRESSAVG: 2511600 -30.0872 -23.293 10.9234 -23.293 10.687 64.2038 10.9234 64.2038 53.6536 GPRESSAVG: 2511600 -30.669 -21.5265 13.6056 -25.4061 11.8145 64.4574 11.6169 65.311 53.0158 TIMING: 2511600 CPU: 7493.7, 0.00295819/step Wall: 7493.7, 0.00295819/step, 2.04477 hours remaining, 207.355469 MB of memory in use. ENERGY: 2511600 734.3515 2115.5116 1953.4338 109.7081 -205905.1591 17713.1146 0.0000 0.0000 34236.8026 -149042.2368 298.9985 -183279.0395 -148954.0779 298.6701 -148.2421 -117.8763 559603.6620 11.4178 11.3871 PRESSURE: 2511800 -133.931 125.024 -34.4487 125.024 -152.259 -11.3772 -34.4482 -11.3784 -84.1115 GPRESSURE: 2511800 -97.938 142.667 -25.9319 75.3101 -88.6305 -60.5812 -7.47052 41.4644 -77.1165 PRESSAVG: 2511800 23.5041 42.8798 -38.6182 42.8797 -10.8602 40.3295 -38.6182 40.3293 23.2479 GPRESSAVG: 2511800 24.1792 41.4431 -40.9364 42.7647 -11.3288 40.8523 -40.5806 39.3396 22.9894 TIMING: 2511800 CPU: 7494.28, 0.00293832/step Wall: 7494.28, 0.00293832/step, 2.03087 hours remaining, 207.355469 MB of memory in use. ENERGY: 2511800 736.7112 2087.7524 1942.7570 116.4243 -205779.4854 17639.5305 0.0000 0.0000 34328.3434 -148927.9666 299.7980 -183256.3100 -148829.0721 299.7066 -123.4339 -87.8950 558855.2814 11.9639 11.9466 PRESSURE: 2512000 -109.012 19.6345 -34.4579 19.6342 65.8248 18.326 -34.4582 18.3276 -114.447 GPRESSURE: 2512000 -46.4889 70.4248 4.0218 -32.4732 48.039 43.6028 -14.9002 35.0403 -58.8517 PRESSAVG: 2512000 -4.10844 9.76091 59.4881 9.76087 -23.5855 -7.83053 59.4881 -7.83051 -17.2675 GPRESSAVG: 2512000 -3.57519 8.62653 61.4858 12.2713 -24.1986 -8.39969 60.8856 -5.52284 -17.0643 TIMING: 2512000 CPU: 7494.88, 0.00295684/step Wall: 7494.88, 0.00295684/step, 2.0435 hours remaining, 207.355469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2512000 749.7972 2053.6604 1979.8582 109.7983 -205811.0524 17705.6440 0.0000 0.0000 34216.3678 -148995.9266 298.8201 -183212.2944 -148895.6863 299.5376 -52.5449 -19.1005 558470.1765 -14.9871 -14.9460 PRESSURE: 2512200 174.534 -159.783 127.952 -159.782 -40.204 4.98451 127.951 4.98464 -21.691 GPRESSURE: 2512200 239.036 -138.158 140.018 -152.866 -55.734 6.64823 129.783 -16.1922 26.076 PRESSAVG: 2512200 3.28463 25.7807 11.6158 25.7807 -15.7296 -30.975 11.6158 -30.9751 -22.0213 GPRESSAVG: 2512200 3.97108 27.7194 11.0081 26.0034 -16.6613 -30.3787 11.8851 -33.6137 -21.9334 TIMING: 2512200 CPU: 7495.47, 0.00294953/step Wall: 7495.47, 0.00294953/step, 2.03829 hours remaining, 207.355469 MB of memory in use. ENERGY: 2512200 689.7538 2061.5741 1956.3883 124.1655 -205971.0619 17855.8896 0.0000 0.0000 34445.6773 -148837.6132 300.8227 -183283.2905 -148738.1430 299.5860 37.5465 69.7928 558720.1287 -11.4887 -11.5412 LDB: ============= START OF LOAD BALANCING ============== 7499.01 LDB: ============== END OF LOAD BALANCING =============== 7499.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7499.01 LDB: ============= START OF LOAD BALANCING ============== 7499.31 LDB: Largest compute 4773 load 0.027818 is 23.5% of average load 0.118278 LDB: Average compute 0.001738 is 1.5% of average load 0.118278 LDB: TIME 7499.31 LOAD: AVG 0.118278 MAX 0.201616 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.086 MB LDB: TIME 7499.31 LOAD: AVG 0.118278 MAX 0.201616 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.09 MB LDB: TIME 7499.31 LOAD: AVG 0.118278 MAX 0.201616 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.09 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7499.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7499.32 PRESSURE: 2512400 -63.9514 -132.93 76.089 -132.93 87.2353 -144.171 76.0898 -144.171 -138.895 GPRESSURE: 2512400 -17.7668 -122.782 30.5682 -93.1601 83.7287 -182.056 116.607 -102.818 -89.4162 PRESSAVG: 2512400 -23.6738 -12.1345 -1.09746 -12.1345 10.6352 6.96767 -1.09745 6.96772 -33.2515 GPRESSAVG: 2512400 -24.193 -11.285 -1.04751 -13.6409 11.7676 4.99632 -1.01536 8.26842 -33.54 TIMING: 2512400 CPU: 7496.07, 0.00300745/step Wall: 7496.07, 0.00300745/step, 2.07815 hours remaining, 207.601562 MB of memory in use. ENERGY: 2512400 748.2228 2003.2206 1960.2790 128.1512 -206033.1269 17846.5910 0.0000 0.0000 34656.0699 -148690.5924 302.6601 -183346.6623 -148588.7427 300.6092 -38.5371 -7.8181 558217.5949 -15.4300 -15.3218 PRESSURE: 2512600 -0.747976 -40.3689 54.2732 -40.3686 -342.778 67.3532 54.2735 67.3534 46.2765 GPRESSURE: 2512600 5.51044 -1.66534 22.3602 -6.17072 -278.241 97.351 12.3044 40.5835 71.3492 PRESSAVG: 2512600 3.63523 -8.89237 -32.755 -8.89242 43.9022 14.51 -32.755 14.5101 18.8588 GPRESSAVG: 2512600 3.42291 -8.11301 -33.3715 -10.2464 43.7631 17.2783 -32.8304 12.1268 19.7612 TIMING: 2512600 CPU: 7496.65, 0.00292573/step Wall: 7496.65, 0.00292573/step, 2.02152 hours remaining, 207.601562 MB of memory in use. ENERGY: 2512600 692.0181 2044.2210 1948.1877 112.3472 -205658.3127 17544.9238 0.0000 0.0000 34347.5680 -148969.0469 299.9659 -183316.6150 -148864.7931 300.4206 -99.0831 -67.1273 558409.1319 22.1321 22.3157 PRESSURE: 2512800 -164.718 -9.93219 9.17198 -9.93005 -165.489 99.2704 9.17379 99.2727 50.2358 GPRESSURE: 2512800 -125.195 46.8978 24.5227 4.77653 -94.6783 124.837 39.2717 42.3176 40.8411 PRESSAVG: 2512800 70.0916 27.3582 -9.72448 27.3582 23.6218 1.71186 -9.72452 1.71187 -80.4413 GPRESSAVG: 2512800 70.5052 27.7484 -9.76733 26.9528 23.2754 0.639032 -9.17039 3.03883 -80.2091 TIMING: 2512800 CPU: 7497.25, 0.00296855/step Wall: 7497.25, 0.00296855/step, 2.05094 hours remaining, 207.601562 MB of memory in use. ENERGY: 2512800 735.8761 2076.7103 1939.6098 103.8816 -205457.7749 17691.2450 0.0000 0.0000 34153.6652 -148756.7869 298.2725 -182910.4521 -148661.4848 300.2702 -93.3235 -59.6774 557999.9313 4.4240 4.5238 PRESSURE: 2513000 -216.69 135.74 100.636 135.74 -89.5246 38.6985 100.636 38.6991 -64.4768 GPRESSURE: 2513000 -182.7 115.626 97.1123 62.9904 -149.415 144.085 87.0481 23.5572 58.0178 PRESSAVG: 2513000 -1.55541 25.3728 5.43232 25.3728 31.0037 2.31759 5.43229 2.31756 -62.7858 GPRESSAVG: 2513000 -1.99208 24.9801 5.91989 26.9939 31.7922 5.59135 5.28829 2.42088 -63.7242 TIMING: 2513000 CPU: 7497.84, 0.00295708/step Wall: 7497.84, 0.00295708/step, 2.04285 hours remaining, 207.601562 MB of memory in use. ENERGY: 2513000 778.3505 2115.0628 1950.0435 106.7049 -205721.6401 17639.8559 0.0000 0.0000 34402.5825 -148729.0400 300.4463 -183131.6225 -148637.8127 300.6187 -123.5637 -91.3658 559108.3044 -11.1125 -11.3081 PRESSURE: 2513200 201.903 -13.7546 -151.508 -13.7556 122.864 -107.757 -151.507 -107.757 83.0076 GPRESSURE: 2513200 245.025 24.8031 -134.898 -18.0031 223.382 -97.5533 -124.857 -198.34 41.2758 PRESSAVG: 2513200 22.7363 17.9715 25.8728 17.9715 29.1777 -36.0536 25.8729 -36.0535 7.10537 GPRESSAVG: 2513200 21.7423 16.8123 26.1999 18.0337 28.7032 -38.3693 26.4476 -36.93 8.30052 TIMING: 2513200 CPU: 7498.43, 0.00294363/step Wall: 7498.43, 0.00294363/step, 2.03339 hours remaining, 207.601562 MB of memory in use. ENERGY: 2513200 730.5469 2072.5387 1977.7197 109.8683 -206027.1289 18067.4740 0.0000 0.0000 34271.3216 -148797.6598 299.3000 -183068.9813 -148698.6418 300.7767 135.9249 169.8942 558662.4873 19.6731 19.5820 PRESSURE: 2513400 75.6551 -71.2808 34.6968 -71.2813 333.868 112.085 34.6972 112.086 39.1287 GPRESSURE: 2513400 140.481 -42.1388 3.47765 -154.165 289.904 120.305 61.8799 98.6161 121.691 PRESSAVG: 2513400 41.4267 4.06656 -2.18492 4.06648 41.5218 1.67805 -2.18496 1.67811 -26.6046 GPRESSAVG: 2513400 42.5729 3.26217 -1.84101 3.36864 41.8245 1.97737 -4.2278 4.19587 -28.1081 TIMING: 2513400 CPU: 7499.02, 0.00295586/step Wall: 7499.02, 0.00295586/step, 2.04168 hours remaining, 207.601562 MB of memory in use. ENERGY: 2513400 725.9987 2071.1231 1927.3165 105.1073 -206423.6535 18138.1170 0.0000 0.0000 34467.3345 -148988.6565 301.0118 -183455.9909 -148898.2990 300.3553 149.5507 184.0254 556466.8840 18.7813 18.7631 PRESSURE: 2513600 -113.03 243.053 -78.6581 243.053 13.547 -61.6362 -78.6586 -61.6349 49.5988 GPRESSURE: 2513600 -95.0371 284.909 4.88917 166.248 74.9653 -80.3555 -145.638 -39.6265 76.4131 PRESSAVG: 2513600 4.0362 -15.6329 -31.3795 -15.6329 26.6347 10.9663 -31.3796 10.9663 -63.1129 GPRESSAVG: 2513600 3.272 -15.0405 -30.2408 -16.2716 25.5094 11.7625 -31.8266 9.65122 -61.8222 TIMING: 2513600 CPU: 7499.61, 0.00296362/step Wall: 7499.61, 0.00296362/step, 2.04687 hours remaining, 207.601562 MB of memory in use. ENERGY: 2513600 763.6119 2049.8817 1938.9731 116.0758 -206068.3684 17877.3085 0.0000 0.0000 34448.6846 -148873.8328 300.8489 -183322.5175 -148773.6071 300.0044 -16.6280 18.7805 558611.7024 -10.8140 -11.0136 PRESSURE: 2513800 -37.2659 50.844 -54.3085 50.8446 -157.688 -53.8253 -54.3084 -53.825 -246.534 GPRESSURE: 2513800 -27.4048 90.5099 -58.9702 20.2286 -155.566 -158.042 -34.6808 -68.4006 -162.311 PRESSAVG: 2513800 18.6798 -15.5119 2.57725 -15.5119 31.1499 -36.6863 2.57717 -36.6863 -53.276 GPRESSAVG: 2513800 18.526 -14.9985 0.252446 -13.9015 32.4194 -40.9837 4.56521 -34.2361 -54.8532 TIMING: 2513800 CPU: 7500.21, 0.00298207/step Wall: 7500.21, 0.00298207/step, 2.05945 hours remaining, 207.601562 MB of memory in use. ENERGY: 2513800 735.0222 2086.9662 1919.8092 112.6435 -205746.8209 17653.1273 0.0000 0.0000 34332.9157 -148906.3369 299.8379 -183239.2526 -148810.8464 300.1163 -147.1628 -115.0938 559814.0352 -1.1488 -1.3026 PRESSURE: 2514000 -114.051 -104.561 219.939 -104.56 -101.002 100.902 219.94 100.902 -114.25 GPRESSURE: 2514000 -124.644 -58.4944 42.777 -156.579 -52.6022 74.1699 339.904 51.9009 -44.9131 PRESSAVG: 2514000 -22.5227 7.63671 9.83023 7.63676 -18.5182 -13.2385 9.8302 -13.2385 6.44384 GPRESSAVG: 2514000 -22.3881 6.34965 9.17147 6.66539 -19.6105 -8.96412 10.4778 -15.9729 7.1458 TIMING: 2514000 CPU: 7500.8, 0.00297259/step Wall: 7500.8, 0.00297259/step, 2.05274 hours remaining, 207.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2514000 783.3158 2107.6517 1930.4831 108.2854 -206058.7568 17809.1137 0.0000 0.0000 34345.0846 -148974.8225 299.9442 -183319.9072 -148879.8706 299.5737 -109.7679 -74.0530 558000.8426 -11.5323 -11.6176 PRESSURE: 2514200 10.1422 -104.636 28.5577 -104.636 195.885 -59.8158 28.5583 -59.8157 -46.467 GPRESSURE: 2514200 55.9247 -188.213 -5.94603 -85.7836 197.104 18.6851 38.5945 -87.8463 5.83721 PRESSAVG: 2514200 -8.27413 -34.1788 45.3316 -34.1787 18.8496 43.3915 45.3317 43.3916 -1.0865 GPRESSAVG: 2514200 -8.12265 -33.1598 45.8545 -33.0263 17.4961 43.1244 43.9787 45.1097 -0.524539 TIMING: 2514200 CPU: 7501.39, 0.00294854/step Wall: 7501.39, 0.00294854/step, 2.03597 hours remaining, 207.601562 MB of memory in use. ENERGY: 2514200 760.0918 2083.7676 1941.0945 117.5031 -206346.3002 17801.0032 0.0000 0.0000 34593.4365 -149049.4036 302.1131 -183642.8401 -148950.1247 300.0064 53.1868 86.2887 556424.2361 3.1630 2.9496 PRESSURE: 2514400 -261.184 71.8369 117.373 71.8362 94.8807 43.0398 117.373 43.0402 50.4441 GPRESSURE: 2514400 -225.541 72.2079 210.389 -0.914457 105.988 61.1715 72.288 73.0536 103.462 PRESSAVG: 2514400 7.91627 -20.7981 2.0759 -20.798 -17.5223 30.1557 2.0759 30.1557 23.4403 GPRESSAVG: 2514400 8.10792 -24.2593 3.51772 -20.9095 -16.2316 29.5384 1.46808 31.069 22.3073 TIMING: 2514400 CPU: 7501.98, 0.00293078/step Wall: 7501.98, 0.00293078/step, 2.02354 hours remaining, 207.601562 MB of memory in use. ENERGY: 2514400 754.2840 2129.3724 1924.4235 131.6329 -206062.8013 17785.3232 0.0000 0.0000 34173.4570 -149164.3084 298.4453 -183337.7653 -149076.7429 299.7572 -38.6197 -5.3635 557973.4267 4.6114 4.7279 PRESSURE: 2514600 -213.101 -113.204 -55.0291 -113.204 -102.578 -19.5862 -55.0291 -19.5858 -164.934 GPRESSURE: 2514600 -209.319 -127.941 -0.599361 -98.0461 -74.5347 24.5436 -4.99741 -27.827 -97.2667 PRESSAVG: 2514600 -30.4931 -52.9802 24.3983 -52.9802 44.7014 6.95138 24.3982 6.95139 9.31056 GPRESSAVG: 2514600 -30.0832 -49.5034 23.3211 -54.1321 44.9352 5.97963 26.6676 7.21437 8.66559 TIMING: 2514600 CPU: 7502.56, 0.00293763/step Wall: 7502.56, 0.00293762/step, 2.0281 hours remaining, 207.601562 MB of memory in use. ENERGY: 2514600 752.3757 2087.7787 1965.6915 130.6812 -205966.7861 17725.8821 0.0000 0.0000 34188.1928 -149116.1841 298.5740 -183304.3769 -149016.9665 299.1417 -160.2046 -127.0402 557841.1556 7.8396 7.8392 PRESSURE: 2514800 24.1871 -234.018 -85.9158 -234.018 -48.6802 -157.697 -85.9161 -157.696 -82.7986 GPRESSURE: 2514800 93.5046 -243.534 -123.925 -245.398 -42.9869 -239.599 -111.573 -123.042 -67.2096 PRESSAVG: 2514800 27.5014 -11.9918 -49.2472 -11.9918 21.4645 -11.0776 -49.2472 -11.0776 -22.1347 GPRESSAVG: 2514800 26.33 -12.6071 -49.8024 -10.4874 20.9656 -12.2137 -49.545 -11.4379 -20.7813 TIMING: 2514800 CPU: 7503.15, 0.00292345/step Wall: 7503.15, 0.00292345/step, 2.01815 hours remaining, 207.601562 MB of memory in use. ENERGY: 2514800 764.0779 2076.3546 1955.3880 104.7320 -206019.7719 17872.9428 0.0000 0.0000 34121.3495 -149124.9274 297.9902 -183246.2768 -149022.3897 299.4400 -35.7639 -5.5640 559214.6711 8.9437 8.8381 PRESSURE: 2515000 -112.92 42.7551 77.6194 42.7555 226.446 -22.5889 77.6196 -22.5881 -95.7639 GPRESSURE: 2515000 -81.3407 121.234 141.686 13.8176 237.152 12.6263 50.2375 -121.369 -47.1165 PRESSAVG: 2515000 13.3742 -4.8172 11.6859 -4.81709 5.86962 -26.4384 11.6859 -26.4383 4.04921 GPRESSAVG: 2515000 14.5498 -3.90975 11.667 -5.43034 5.38769 -23.562 11.6187 -29.4558 3.41994 TIMING: 2515000 CPU: 7503.74, 0.00294235/step Wall: 7503.74, 0.00294235/step, 2.03104 hours remaining, 207.601562 MB of memory in use. ENERGY: 2515000 763.0374 2049.8564 1956.5769 105.9499 -206001.2649 17728.0434 0.0000 0.0000 34266.4412 -149131.3595 299.2574 -183397.8007 -149034.9624 299.3746 5.9207 36.2317 558192.8569 7.7644 7.7858 PRESSURE: 2515200 167.141 -23.7665 -23.255 -23.7669 -58.8902 46.3662 -23.255 46.3644 46.9489 GPRESSURE: 2515200 162.157 -32.2162 28.6549 -20.1096 -4.27303 109.048 -86.2478 22.1256 99.2383 PRESSAVG: 2515200 4.64009 -23.6679 36.2506 -23.6679 -23.9874 12.9793 36.2507 12.9793 -18.5025 GPRESSAVG: 2515200 2.52584 -24.4057 36.0522 -24.2956 -22.4853 11.7381 37.1486 15.3855 -17.7364 TIMING: 2515200 CPU: 7504.33, 0.00294209/step Wall: 7504.33, 0.00294209/step, 2.0307 hours remaining, 207.863281 MB of memory in use. ENERGY: 2515200 727.8187 2118.1527 1937.0732 117.8916 -205932.1322 17692.3350 0.0000 0.0000 34281.1746 -149057.6865 299.3860 -183338.8611 -148957.1504 300.0412 51.7332 85.7075 556736.7845 -12.6166 -12.5653 PRESSURE: 2515400 60.564 -107.691 -62.9602 -107.691 -269.528 -131.939 -62.9613 -131.94 110.318 GPRESSURE: 2515400 77.9267 -39.8257 27.9033 -54.9595 -217.774 -147.668 -106.865 -194.029 133.795 PRESSAVG: 2515400 0.642164 -10.524 5.89735 -10.5241 1.92734 -21.9319 5.89741 -21.9319 -40.1278 GPRESSAVG: 2515400 1.86224 -10.4611 7.15612 -10.2166 0.295699 -22.6509 4.7715 -23.6273 -40.0513 TIMING: 2515400 CPU: 7504.91, 0.0029231/step Wall: 7504.91, 0.0029231/step, 2.01742 hours remaining, 207.863281 MB of memory in use. ENERGY: 2515400 715.8258 2127.1121 1948.3782 106.5163 -205828.6406 17626.3259 0.0000 0.0000 34503.1499 -148801.3325 301.3246 -183304.4824 -148700.2755 299.8641 -32.8818 -2.0174 557806.7691 -12.5194 -12.6311 PRESSURE: 2515600 51.1736 -140.589 36.7223 -140.591 -85.3112 -13.0018 36.7221 -13.0021 -359.762 GPRESSURE: 2515600 72.2043 -184.85 -10.599 -74.3536 -124.414 21.0744 61.1437 -10.7563 -241.597 PRESSAVG: 2515600 17.8828 2.29367 -0.748058 2.29363 -1.65293 -58.1613 -0.747893 -58.1613 9.66238 GPRESSAVG: 2515600 18.8414 1.96535 -0.67671 2.26723 -2.63182 -57.7355 -0.530419 -56.9503 9.54746 TIMING: 2515600 CPU: 7505.5, 0.00292276/step Wall: 7505.5, 0.00292276/step, 2.01703 hours remaining, 207.863281 MB of memory in use. ENERGY: 2515600 737.2041 2136.9812 1941.5735 121.3274 -205544.0343 17470.6061 0.0000 0.0000 34421.2916 -148715.0503 300.6097 -183136.3420 -148615.7651 300.6540 -131.2998 -97.9354 557941.1597 8.6308 8.5857 PRESSURE: 2515800 -79.317 100.397 -52.0545 100.398 20.6175 -24.4428 -52.055 -24.4427 -51.7453 GPRESSURE: 2515800 -34.1585 112.765 32.236 -55.292 42.8946 -75.4714 -70.9896 -1.52276 -12.1987 PRESSAVG: 2515800 -17.8173 -40.6205 3.08323 -40.6205 37.7705 52.3155 3.08319 52.3154 -18.4165 GPRESSAVG: 2515800 -19.0365 -40.2998 4.36654 -40.7988 38.8952 53.1941 3.37832 51.4256 -18.1718 TIMING: 2515800 CPU: 7506.08, 0.00290329/step Wall: 7506.08, 0.00290329/step, 2.00343 hours remaining, 207.863281 MB of memory in use. ENERGY: 2515800 757.9083 2111.8424 1928.8762 112.7023 -205559.9221 17571.9914 0.0000 0.0000 34352.4537 -148724.1477 300.0085 -183076.6015 -148627.9686 300.4445 -36.8150 -1.1542 557009.5835 0.5122 0.5623 PRESSURE: 2516000 -274.689 151.102 -212.378 151.104 -193.398 50.6684 -212.377 50.6685 -3.16509 GPRESSURE: 2516000 -242.895 155.419 -168.787 116.992 -135.782 -2.36332 -133.276 65.1981 11.6429 PRESSAVG: 2516000 -52.3871 -114.698 18.6752 -114.698 16.8118 26.1206 18.6752 26.1206 20.3686 GPRESSAVG: 2516000 -52.7116 -113.722 16.2587 -115.396 16.224 25.301 18.9665 26.984 21.2714 TIMING: 2516000 CPU: 7506.66, 0.00292773/step Wall: 7506.66, 0.00292773/step, 2.02013 hours remaining, 207.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2516000 738.3562 2085.9249 1966.7641 110.3055 -205130.5156 17333.7586 0.0000 0.0000 34466.0161 -148429.3902 301.0003 -182895.4062 -148328.2719 301.5701 -157.0840 -122.3447 558663.1241 -5.0689 -5.0721 PRESSURE: 2516200 51.7557 -218.639 -17.6296 -218.639 75.4606 42.3222 -17.6291 42.3217 113.684 GPRESSURE: 2516200 54.6623 -218.177 -17.216 -220.174 127.598 54.4995 -88.7234 116.35 150.55 PRESSAVG: 2516200 -39.1278 -58.2379 -38.0227 -58.2379 14.5279 18.9314 -38.0227 18.9314 13.4209 GPRESSAVG: 2516200 -38.9802 -60.5334 -39.5134 -57.1989 14.5732 20.3647 -36.9843 18.7186 12.8715 TIMING: 2516200 CPU: 7507.26, 0.00297364/step Wall: 7507.26, 0.00297364/step, 2.05165 hours remaining, 207.863281 MB of memory in use. ENERGY: 2516200 762.0100 2106.8878 1938.0624 126.4141 -205890.5974 17819.6201 0.0000 0.0000 34523.1941 -148614.4090 301.4996 -183137.6031 -148520.1605 301.0250 80.3000 110.9368 558408.5141 -3.7263 -3.8452 LDB: ============= START OF LOAD BALANCING ============== 7510.8 LDB: ============== END OF LOAD BALANCING =============== 7510.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7510.8 LDB: ============= START OF LOAD BALANCING ============== 7511.1 LDB: Largest compute 4773 load 0.026682 is 22.6% of average load 0.118290 LDB: Average compute 0.001733 is 1.5% of average load 0.118290 LDB: TIME 7511.1 LOAD: AVG 0.11829 MAX 0.202288 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.727 MB LDB: TIME 7511.1 LOAD: AVG 0.11829 MAX 0.202288 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.727 MB LDB: TIME 7511.1 LOAD: AVG 0.11829 MAX 0.202288 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.727 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7511.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7511.11 PRESSURE: 2516400 -123.367 -61.8816 -14.8491 -61.8808 24.6265 21.481 -14.8477 21.4812 181.955 GPRESSURE: 2516400 -54.9114 -161.148 -59.3057 -99.6617 39.7271 74.5957 23.3394 -24.2848 196.571 PRESSAVG: 2516400 -63.4726 -46.9991 -27.4943 -46.9991 10.6157 -25.5486 -27.4941 -25.5485 26.0636 GPRESSAVG: 2516400 -62.4056 -45.7038 -26.2405 -47.3323 10.6424 -25.6634 -27.9137 -27.196 25.0261 TIMING: 2516400 CPU: 7507.86, 0.0029981/step Wall: 7507.86, 0.0029981/step, 2.06836 hours remaining, 206.578125 MB of memory in use. ENERGY: 2516400 754.3551 2120.8983 1948.5470 118.3499 -206102.9081 17963.7673 0.0000 0.0000 34557.0564 -148639.9342 301.7954 -183196.9906 -148539.2918 301.3859 27.7384 60.4622 557491.7789 -8.9311 -8.9124 PRESSURE: 2516600 -464.048 -79.8476 85.2574 -79.8477 -105.416 146.854 85.2582 146.855 29.5641 GPRESSURE: 2516600 -454.774 -126.722 124.032 -122.562 -28.6842 69.9682 -4.2657 197.458 29.4837 PRESSAVG: 2516600 -64.3266 -17.5794 3.66263 -17.5795 9.46395 37.8525 3.66272 37.8526 56.5994 GPRESSAVG: 2516600 -64.6319 -20.8028 3.54208 -16.2357 9.2235 36.3349 3.59639 41.4472 57.3143 TIMING: 2516600 CPU: 7508.45, 0.00296143/step Wall: 7508.45, 0.00296143/step, 2.04289 hours remaining, 206.578125 MB of memory in use. ENERGY: 2516600 746.5451 2104.5133 1945.3747 116.1793 -205609.5133 17508.8324 0.0000 0.0000 34545.0492 -148643.0193 301.6905 -183188.0684 -148552.6600 301.3162 -179.9667 -151.3248 558851.6280 0.5789 0.6353 PRESSURE: 2516800 -343.989 95.7045 107.832 95.7037 -316.482 -83.8919 107.831 -83.8907 -237.164 GPRESSURE: 2516800 -312.093 117.287 47.9158 27.4291 -328.243 -63.2252 99.5671 -22.2551 -155.793 PRESSAVG: 2516800 3.22559 -24.0569 16.2338 -24.057 10.0064 -37.0692 16.2338 -37.0692 -6.66314 GPRESSAVG: 2516800 3.32596 -21.3378 16.8878 -25.1721 10.4671 -36.812 13.7675 -38.7787 -7.39325 TIMING: 2516800 CPU: 7509.04, 0.00297484/step Wall: 7509.04, 0.00297484/step, 2.05198 hours remaining, 206.578125 MB of memory in use. ENERGY: 2516800 776.1650 2062.0797 1956.6344 115.4165 -205110.0441 17281.8700 0.0000 0.0000 34271.9054 -148645.9731 299.3051 -182917.8785 -148541.3659 300.7085 -299.2114 -265.3762 559308.1632 2.1896 2.1333 PRESSURE: 2517000 92.6347 9.13873 183.556 9.13886 101.805 56.9967 183.556 56.9958 25.5747 GPRESSURE: 2517000 159.342 68.5602 161.282 28.9713 82.2614 54.4546 72.5606 -5.17232 71.4383 PRESSAVG: 2517000 96.6029 -30.1882 -3.98591 -30.1883 9.44765 -44.3812 -3.98599 -44.3813 -61.2194 GPRESSAVG: 2517000 96.0309 -31.7648 -5.35666 -29.6113 11.0941 -45.4347 -2.73054 -44.7332 -62.3529 TIMING: 2517000 CPU: 7509.63, 0.00293904/step Wall: 7509.63, 0.00293904/step, 2.02712 hours remaining, 206.578125 MB of memory in use. ENERGY: 2517000 759.8717 2151.5554 1948.2250 114.1728 -206100.5759 17968.6285 0.0000 0.0000 34280.5700 -148877.5524 299.3807 -183158.1225 -148786.5595 300.6711 73.3380 104.3472 557277.4420 14.9437 14.9240 PRESSURE: 2517200 55.7076 -17.2528 135.036 -17.2527 114.453 -155.795 135.036 -155.795 120.226 GPRESSURE: 2517200 114.356 -56.7026 72.2957 31.6747 117.659 -164.666 158.273 -120.901 151.503 PRESSAVG: 2517200 54.9073 -24.7632 -44.0894 -24.7631 -16.8026 11.4019 -44.0894 11.4018 26.548 GPRESSAVG: 2517200 55.0656 -25.3793 -43.2649 -23.9634 -18.2938 11.955 -44.9482 12.7365 28.3072 TIMING: 2517200 CPU: 7510.22, 0.00292779/step Wall: 7510.22, 0.00292779/step, 2.0192 hours remaining, 206.578125 MB of memory in use. ENERGY: 2517200 723.3073 2083.5317 1928.0061 108.7147 -206239.4149 18023.8374 0.0000 0.0000 34543.2258 -148828.7919 301.6746 -183372.0177 -148727.5222 300.2399 96.7953 127.8393 558442.2075 21.5509 21.6930 PRESSURE: 2517400 -80.4554 -25.468 -77.1174 -25.4669 -231.787 -91.3686 -77.1176 -91.3678 -124.981 GPRESSURE: 2517400 24.7441 41.7105 -43.5838 4.06972 -224.947 -97.7868 -100.049 -87.0258 -140.309 PRESSAVG: 2517400 5.28823 -20.4451 -20.0811 -20.445 -68.924 -33.0516 -20.0812 -33.0516 49.788 GPRESSAVG: 2517400 5.51703 -18.208 -19.4067 -23.1358 -68.5362 -31.2726 -19.173 -35.0204 49.5831 TIMING: 2517400 CPU: 7510.81, 0.00294994/step Wall: 7510.81, 0.00294994/step, 2.03431 hours remaining, 206.578125 MB of memory in use. ENERGY: 2517400 770.6605 2097.8720 1944.8988 116.4894 -205670.3030 17512.0380 0.0000 0.0000 34267.0776 -148961.2666 299.2629 -183228.3442 -148860.3268 300.1235 -145.7412 -113.5041 558701.6673 -4.6159 -4.4787 PRESSURE: 2517600 220.253 -82.9721 -118.447 -82.9721 273.588 35.3747 -118.446 35.3746 248.292 GPRESSURE: 2517600 237.557 -146.869 -133.442 -184.175 276.375 -3.40022 -111.973 -22.8974 309.808 PRESSAVG: 2517600 -27.2262 11.3115 2.37534 11.3115 -15.7088 -36.6968 2.3753 -36.6969 42.1079 GPRESSAVG: 2517600 -27.5086 10.3677 1.43333 11.8846 -15.7882 -37.9206 2.22843 -33.2931 42.7153 TIMING: 2517600 CPU: 7511.39, 0.00294185/step Wall: 7511.39, 0.00294185/step, 2.02857 hours remaining, 206.578125 MB of memory in use. ENERGY: 2517600 775.5715 2083.5877 1944.0752 99.2939 -206200.6009 17963.6226 0.0000 0.0000 34233.3135 -149101.1364 298.9680 -183334.4499 -149008.2931 299.1686 247.3777 274.5799 557157.6806 -0.2757 -0.1939 PRESSURE: 2517800 -202.788 -47.277 116.262 -47.2782 68.6664 66.9497 116.262 66.9504 -47.9194 GPRESSURE: 2517800 -212.508 -17.8394 93.5709 -16.3856 99.9677 -48.3697 150.643 118.987 34.4255 PRESSAVG: 2517800 -28.7823 -29.1245 -27.4787 -29.1244 22.69 -48.0149 -27.4787 -48.0149 49.9363 GPRESSAVG: 2517800 -27.7087 -28.6945 -28.4942 -29.0665 22.6399 -47.1478 -27.3648 -49.668 49.0588 TIMING: 2517800 CPU: 7511.98, 0.00293118/step Wall: 7511.98, 0.00293118/step, 2.02105 hours remaining, 206.578125 MB of memory in use. ENERGY: 2517800 746.7243 2079.7498 1934.9858 124.5844 -206197.0670 17851.6955 0.0000 0.0000 34477.1729 -148982.1543 301.0977 -183459.3271 -148886.6765 300.6710 -60.6804 -26.0382 558080.1547 14.6146 14.6633 PRESSURE: 2518000 -221.932 38.1726 -89.3031 38.1721 -156.339 31.8335 -89.3024 31.8339 -13.3718 GPRESSURE: 2518000 -159.704 58.6386 -24.9947 -44.1947 -118.59 -18.2984 -21.5417 31.3945 -19.0668 PRESSAVG: 2518000 42.6848 39.6865 -64.8432 39.6865 5.9401 79.0976 -64.8432 79.0976 0.91349 GPRESSAVG: 2518000 42.9 40.9412 -63.33 39.9728 6.0589 77.8488 -63.6647 79.1592 -0.337979 TIMING: 2518000 CPU: 7512.57, 0.0029296/step Wall: 7512.57, 0.0029296/step, 2.0198 hours remaining, 206.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2518000 770.5111 2121.8565 1935.7242 106.8180 -205902.1643 17576.4490 0.0000 0.0000 34327.0960 -149063.7094 299.7871 -183390.8054 -148974.6532 299.6756 -130.5476 -99.1204 558221.6234 16.5128 16.2070 PRESSURE: 2518200 21.7743 -32.7292 185.826 -32.7285 50.6792 -115.523 185.827 -115.523 126.389 GPRESSURE: 2518200 90.784 -49.3873 205.133 28.9768 73.8657 -84.7468 67.89 -212.764 140.133 PRESSAVG: 2518200 31.8 -3.43252 -31.4678 -3.43253 -2.94285 17.0711 -31.4677 17.0712 -15.3426 GPRESSAVG: 2518200 30.7164 -2.29814 -31.5074 -5.81147 -2.48727 17.839 -32.2232 17.7484 -14.9684 TIMING: 2518200 CPU: 7513.16, 0.00296405/step Wall: 7513.16, 0.00296405/step, 2.04339 hours remaining, 206.578125 MB of memory in use. ENERGY: 2518200 719.6526 2122.0886 1927.4047 106.6454 -205895.4095 17687.2530 0.0000 0.0000 34281.0889 -149051.2763 299.3853 -183332.3652 -148948.1708 299.6436 66.2808 101.5943 558550.6808 4.5048 4.4202 PRESSURE: 2518400 -303.703 -20.5883 33.4176 -20.5879 -47.1341 -38.0518 33.417 -38.0501 74.4237 GPRESSURE: 2518400 -263.181 -12.6594 -41.1614 -19.204 -23.207 -38.282 113.754 -112.758 111.007 PRESSAVG: 2518400 -26.8043 2.21448 1.86755 2.21451 39.1125 1.61939 1.86759 1.6194 -8.6427 GPRESSAVG: 2518400 -26.4347 1.04884 0.951352 4.23268 37.7453 -0.995286 1.10007 0.72644 -7.24552 TIMING: 2518400 CPU: 7513.75, 0.0029362/step Wall: 7513.75, 0.0029362/step, 2.02402 hours remaining, 206.578125 MB of memory in use. ENERGY: 2518400 780.1211 2097.0437 1927.8533 106.3128 -205917.1476 17686.3892 0.0000 0.0000 34355.2090 -148964.2185 300.0326 -183319.4275 -148871.7368 299.6938 -92.1379 -58.4604 559302.9780 1.2219 1.3550 PRESSURE: 2518600 56.6729 5.25145 -31.3998 5.25114 63.3468 -77.4672 -31.4006 -77.4686 288.828 GPRESSURE: 2518600 118.199 -11.7998 -44.6095 28.5967 136.011 -83.2308 -22.7067 -162.363 256.438 PRESSAVG: 2518600 -11.6692 17.1534 6.84325 17.1533 7.66422 -5.39059 6.84331 -5.39064 13.6674 GPRESSAVG: 2518600 -12.1358 18.6776 6.3431 17.297 8.25716 -2.42872 5.80435 -8.12888 13.9246 TIMING: 2518600 CPU: 7514.33, 0.00294037/step Wall: 7514.33, 0.00294037/step, 2.02673 hours remaining, 206.578125 MB of memory in use. ENERGY: 2518600 748.2011 2149.0629 1937.9002 111.3037 -206427.8633 18009.1869 0.0000 0.0000 34357.9458 -149114.2627 300.0565 -183472.2086 -149013.9713 299.7701 136.2826 170.2159 557832.4211 3.2208 3.3486 PRESSURE: 2518800 -177.095 23.7663 124.092 23.767 -167.13 -89.9107 124.093 -89.9084 -17.554 GPRESSURE: 2518800 -177.411 50.8687 157.017 -1.8649 -130.063 -74.8613 56.6933 -76.6832 43.1138 PRESSAVG: 2518800 6.31654 -52.6044 -22.1366 -52.6043 54.2803 -10.3208 -22.1366 -10.3208 -77.7609 GPRESSAVG: 2518800 6.8628 -52.7336 -19.5249 -53.6164 54.7541 -12.9354 -22.0082 -7.07916 -78.6069 TIMING: 2518800 CPU: 7514.93, 0.00297092/step Wall: 7514.93, 0.00297092/step, 2.04762 hours remaining, 206.578125 MB of memory in use. ENERGY: 2518800 745.3160 2101.0240 1949.4840 132.3605 -205796.7515 17585.0202 0.0000 0.0000 34228.2107 -149055.3361 298.9235 -183283.5469 -148956.7445 299.2058 -120.5931 -88.1200 558048.4855 -5.7213 -5.6633 PRESSURE: 2519000 149.244 148.638 -55.2051 148.638 -38.0209 -130.226 -55.2051 -130.225 -98.1149 GPRESSURE: 2519000 161.762 54.7439 -98.6312 132.513 -21.4918 -239.219 -59.1448 -31.798 -33.2904 PRESSAVG: 2519000 41.4364 -30.7744 -21.5666 -30.7745 -38.0139 8.03141 -21.5665 8.03136 28.9746 GPRESSAVG: 2519000 42.414 -34.1259 -22.1188 -29.9053 -39.4754 8.97221 -19.8155 7.69846 29.2258 TIMING: 2519000 CPU: 7515.52, 0.0029494/step Wall: 7515.52, 0.0029494/step, 2.03263 hours remaining, 206.578125 MB of memory in use. ENERGY: 2519000 726.3745 2126.8201 1964.2693 115.5396 -206072.7391 17865.8755 0.0000 0.0000 34271.5213 -149002.3388 299.3017 -183273.8601 -148903.3666 300.3047 4.3695 35.6598 558229.2645 10.7990 10.7214 PRESSURE: 2519200 216.728 10.7367 280.517 10.737 37.9599 -164.849 280.517 -164.85 -18.3649 GPRESSURE: 2519200 245.321 12.1524 239.485 -60.5789 39.509 -98.2358 305.597 -99.6542 41.466 PRESSAVG: 2519200 49.2869 20.6979 19.1442 20.6979 -67.7726 10.5009 19.1442 10.5009 14.5784 GPRESSAVG: 2519200 49.7941 23.9049 18.9443 18.4148 -68.5429 12.1948 19.7616 9.80393 13.8058 TIMING: 2519200 CPU: 7516.11, 0.00297205/step Wall: 7516.11, 0.00297205/step, 2.04807 hours remaining, 206.578125 MB of memory in use. ENERGY: 2519200 720.3654 2106.1842 1938.9577 121.5111 -205913.1003 17816.2769 0.0000 0.0000 34133.1710 -149076.6339 298.0935 -183209.8050 -148981.0221 299.5855 78.7742 108.7652 558640.8314 -1.3024 -1.6477 PRESSURE: 2519400 400.263 -41.524 -22.786 -41.5256 209.006 113.405 -22.7862 113.404 131.902 GPRESSURE: 2519400 411.596 24.8344 -42.7483 -34.0141 263.557 79.2941 -53.5733 94.1977 174.595 PRESSAVG: 2519400 29.9432 -32.7674 63.8118 -32.7675 -25.9912 60.3631 63.8119 60.3631 -9.97097 GPRESSAVG: 2519400 28.5433 -33.2559 62.6701 -31.1725 -25.0311 57.1505 63.3059 61.2407 -9.26239 TIMING: 2519400 CPU: 7516.71, 0.00296973/step Wall: 7516.71, 0.00296973/step, 2.04631 hours remaining, 206.578125 MB of memory in use. ENERGY: 2519400 798.9501 2129.2578 1925.2454 108.8123 -206604.9134 18210.1629 0.0000 0.0000 34319.4172 -149113.0677 299.7200 -183432.4849 -149018.9676 299.3877 247.0571 283.2495 557201.1925 -2.0063 -1.9167 PRESSURE: 2519600 -199.962 23.3552 10.8634 23.3567 103.055 174.216 10.8638 174.216 -248.093 GPRESSURE: 2519600 -174.726 125.627 21.5561 66.2406 144.068 207.747 -23.8908 99.8697 -212.919 PRESSAVG: 2519600 -47.9801 36.2516 42.9314 36.2516 0.421521 12.0986 42.9315 12.0987 86.4182 GPRESSAVG: 2519600 -47.1203 35.3274 43.8789 36.34 -0.532456 11.5378 40.4116 12.896 86.2604 TIMING: 2519600 CPU: 7517.31, 0.00299909/step Wall: 7517.31, 0.00299909/step, 2.06638 hours remaining, 206.578125 MB of memory in use. ENERGY: 2519600 769.4512 2016.0251 1954.6032 107.4415 -205890.1796 17650.7770 0.0000 0.0000 34201.1677 -149190.7138 298.6873 -183391.8815 -149096.7355 298.9343 -115.0002 -81.1922 558623.9765 12.9532 12.8692 PRESSURE: 2519800 -237.121 149.047 3.50229 149.047 -103.261 118.809 3.50105 118.811 -8.70762 GPRESSURE: 2519800 -155.151 138.78 71.4531 162.979 -113.79 159.743 21.1983 105.821 10.0524 PRESSAVG: 2519800 -31.4365 69.7027 3.10049 69.7027 10.6287 20.6473 3.10053 20.6473 19.1324 GPRESSAVG: 2519800 -31.2544 70.3609 3.66484 71.689 10.0165 23.0282 5.87077 18.3678 19.3601 TIMING: 2519800 CPU: 7517.9, 0.0029833/step Wall: 7517.9, 0.0029833/step, 2.05533 hours remaining, 206.578125 MB of memory in use. ENERGY: 2519800 747.9955 1983.2623 1958.6916 106.5554 -206261.8246 17606.3268 0.0000 0.0000 34544.3753 -149314.6177 301.6846 -183858.9930 -149212.0216 299.0552 -116.3633 -86.2962 557880.5819 -0.5585 -0.6259 PRESSURE: 2520000 -109.712 51.7451 38.3837 51.7433 -11.8494 -11.3107 38.3826 -11.3109 -265.877 GPRESSURE: 2520000 -37.2193 75.6994 53.9607 65.8234 30.2437 3.03837 -7.99196 -27.6281 -281.487 PRESSAVG: 2520000 50.8292 36.7808 68.8165 36.7808 -28.8151 -19.2679 68.8165 -19.268 -16.8038 GPRESSAVG: 2520000 49.3427 37.1769 68.8074 33.8291 -26.7202 -19.8818 66.9474 -17.4455 -16.8547 TIMING: 2520000 CPU: 7518.5, 0.00296332/step Wall: 7518.5, 0.00296332/step, 2.04139 hours remaining, 206.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2520000 752.4273 2082.9530 1955.7738 116.2084 -206252.2169 17789.0235 0.0000 0.0000 34119.7815 -149436.0495 297.9765 -183555.8309 -149334.1070 298.2619 -129.1459 -96.1543 559213.7825 1.7367 1.9226 PRESSURE: 2520200 126.511 65.8105 170.227 65.8111 -1.37457 83.7254 170.229 83.7263 219.941 GPRESSURE: 2520200 141.059 47.6238 200.541 58.188 46.0225 15.9587 159.528 70.2154 250.599 PRESSAVG: 2520200 -28.982 16.096 30.2869 16.0958 -42.2663 -11.8337 30.2868 -11.8337 37.5487 GPRESSAVG: 2520200 -28.3708 16.264 28.9765 16.759 -42.8358 -11.3416 31.1568 -13.1459 37.7939 TIMING: 2520200 CPU: 7519.09, 0.00299073/step Wall: 7519.09, 0.00299073/step, 2.06011 hours remaining, 206.699219 MB of memory in use. ENERGY: 2520200 745.5451 2022.0986 1917.0127 112.0015 -205949.3107 17753.6379 0.0000 0.0000 34141.3657 -149257.6492 298.1650 -183399.0149 -149159.7260 298.4984 115.0257 145.8936 557043.6554 -11.2332 -11.1375 LDB: ============= START OF LOAD BALANCING ============== 7522.64 LDB: ============== END OF LOAD BALANCING =============== 7522.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7522.64 LDB: ============= START OF LOAD BALANCING ============== 7522.94 LDB: Largest compute 4773 load 0.026911 is 22.7% of average load 0.118320 LDB: Average compute 0.001734 is 1.5% of average load 0.118320 LDB: TIME 7522.94 LOAD: AVG 0.11832 MAX 0.201615 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.723 MB LDB: TIME 7522.94 LOAD: AVG 0.11832 MAX 0.201615 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.723 MB LDB: TIME 7522.94 LOAD: AVG 0.11832 MAX 0.201615 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.723 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7522.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7522.95 PRESSURE: 2520400 -12.9331 -0.737511 47.9863 -0.737395 -101.112 79.9436 47.9859 79.9435 -171.547 GPRESSURE: 2520400 -78.5636 24.004 84.1089 -37.1392 -23.2497 91.9325 43.9091 108.372 -97.6428 PRESSAVG: 2520400 56.0796 -14.44 -19.4054 -14.4399 -4.75641 -3.7189 -19.4055 -3.71895 -29.3871 GPRESSAVG: 2520400 55.5411 -15.6683 -18.846 -13.1507 -4.68677 -4.41506 -19.0711 -2.48376 -29.0707 TIMING: 2520400 CPU: 7519.7, 0.00300742/step Wall: 7519.7, 0.00300742/step, 2.07145 hours remaining, 206.335938 MB of memory in use. ENERGY: 2520400 722.9484 2097.9485 1919.8143 114.1224 -206258.3998 17840.5256 0.0000 0.0000 34316.0164 -149247.0242 299.6903 -183563.0406 -149151.4649 299.1319 -95.1974 -66.4854 559105.2926 7.3120 7.2612 PRESSURE: 2520600 -429.021 108.571 179.913 108.57 -75.3946 130.542 179.912 130.542 -84.7833 GPRESSURE: 2520600 -390.624 104.733 192.341 69.1689 -50.7944 107.038 84.6805 176.494 -50.9127 PRESSAVG: 2520600 -40.8029 3.24349 23.8088 3.24365 44.6473 25.4101 23.8089 25.4102 3.66368 GPRESSAVG: 2520600 -40.417 4.69832 23.6074 1.37698 44.413 26.7859 23.8099 26.4761 3.81549 TIMING: 2520600 CPU: 7520.28, 0.0029441/step Wall: 7520.28, 0.0029441/step, 2.02767 hours remaining, 206.539062 MB of memory in use. ENERGY: 2520600 744.8074 2093.6235 1951.6855 122.0282 -205696.7121 17389.6804 0.0000 0.0000 34165.6747 -149229.2125 298.3773 -183394.8872 -149137.3451 298.8297 -196.3998 -164.1104 558480.1128 2.5027 2.6038 PRESSURE: 2520800 -257.406 186.753 -124.205 186.753 137.035 134.749 -124.205 134.749 82.7538 GPRESSURE: 2520800 -213.948 159.862 -160.109 92.2575 210.903 189.397 -186.464 165.366 61.588 PRESSAVG: 2520800 -18.7442 14.0466 -37.0049 14.0466 18.9528 -22.5424 -37.0048 -22.5425 -27.5561 GPRESSAVG: 2520800 -17.671 11.2336 -37.2299 16.0684 19.0339 -22.2965 -38.5864 -24.04 -28.3677 TIMING: 2520800 CPU: 7520.87, 0.0029278/step Wall: 7520.87, 0.0029278/step, 2.01628 hours remaining, 206.539062 MB of memory in use. ENERGY: 2520800 747.1780 2119.3069 1926.2190 98.7969 -206351.1859 17939.3950 0.0000 0.0000 34260.5326 -149259.7575 299.2058 -183520.2901 -149159.5952 298.6319 -12.5391 19.5143 557833.5505 -9.1158 -9.0016 PRESSURE: 2521000 -99.8441 -92.3966 184.593 -92.3958 -157.121 8.26399 184.593 8.26492 23.7664 GPRESSURE: 2521000 -67.8883 -83.4276 175.086 -126.527 -108.603 5.35039 149.764 -36.3368 56.3292 PRESSAVG: 2521000 0.207755 27.8762 -28.4143 27.8763 12.6244 46.0388 -28.4142 46.0389 -35.3368 GPRESSAVG: 2521000 -0.437213 30.1344 -28.2296 28.4632 12.5303 46.393 -24.3084 45.2494 -34.1865 TIMING: 2521000 CPU: 7521.46, 0.0029664/step Wall: 7521.46, 0.0029664/step, 2.0427 hours remaining, 206.539062 MB of memory in use. ENERGY: 2521000 780.3194 2102.7845 1923.3841 107.5771 -206166.9574 17637.7719 0.0000 0.0000 34408.8641 -149206.2563 300.5012 -183615.1204 -149113.6899 298.8248 -77.7330 -40.0541 556918.6015 -7.5016 -7.3645 PRESSURE: 2521200 -509.715 58.2031 4.68137 58.2026 -211.213 -73.6567 4.68168 -73.6563 -168.168 GPRESSURE: 2521200 -432.09 135.601 62.3371 31.3321 -212.436 -21.5662 -62.5242 -163.282 -165.488 PRESSAVG: 2521200 -37.6278 5.90025 16.0353 5.90031 70.1092 -63.7509 16.0353 -63.7508 -32.3766 GPRESSAVG: 2521200 -38.2457 6.92047 16.9823 3.1251 69.9895 -65.9066 16.0523 -62.2419 -32.1749 TIMING: 2521200 CPU: 7522.05, 0.00295005/step Wall: 7522.05, 0.00295005/step, 2.03128 hours remaining, 206.539062 MB of memory in use. ENERGY: 2521200 780.0343 2155.8562 1927.2926 110.4816 -205823.3012 17398.9725 0.0000 0.0000 34212.5293 -149238.1347 298.7865 -183450.6640 -149146.4163 298.9058 -296.3653 -270.0049 556808.7571 0.0349 -0.1437 PRESSURE: 2521400 221.277 -154.35 -84.2848 -154.35 -71.512 22.0018 -84.2837 22.0026 21.383 GPRESSURE: 2521400 249.569 -147.059 -105.921 -100.509 -30.4559 64.583 -23.1118 -62.4798 53.4318 PRESSAVG: 2521400 53.8306 -54.7484 -25.4878 -54.7484 0.976675 51.6191 -25.4878 51.6192 -52.2529 GPRESSAVG: 2521400 54.9956 -54.8332 -26.2296 -52.966 0.0972405 53.1926 -28.4896 50.8994 -52.6983 TIMING: 2521400 CPU: 7522.64, 0.00295203/step Wall: 7522.64, 0.00295203/step, 2.03247 hours remaining, 206.539062 MB of memory in use. ENERGY: 2521400 702.2367 2115.7049 1935.4962 109.5788 -206380.5306 17790.5538 0.0000 0.0000 34389.2675 -149337.6927 300.3300 -183726.9602 -149235.1860 298.7581 57.0492 90.8483 556889.8729 0.8514 0.7982 PRESSURE: 2521600 92.7568 -89.1243 50.756 -89.1235 59.8559 -80.9444 50.7559 -80.9436 86.6736 GPRESSURE: 2521600 114.869 -66.5607 94.0826 -95.8668 116.329 -69.4509 38.8465 -117.865 107.263 PRESSAVG: 2521600 6.97913 -9.66692 -31.3121 -9.66687 -16.5192 18.6657 -31.3121 18.6658 -9.45437 GPRESSAVG: 2521600 5.44917 -9.60014 -30.9698 -11.5646 -14.7654 16.9663 -29.101 19.3439 -9.65264 TIMING: 2521600 CPU: 7523.23, 0.00294064/step Wall: 7523.23, 0.00294064/step, 2.02447 hours remaining, 206.539062 MB of memory in use. ENERGY: 2521600 759.9877 2127.9092 1945.3308 110.0114 -206479.2295 17953.3715 0.0000 0.0000 34103.3311 -149479.2878 297.8329 -183582.6189 -149384.6873 298.9217 79.7621 112.8206 555477.8683 -6.3315 -6.3230 PRESSURE: 2521800 -204.347 -3.77195 77.1747 -3.77168 78.0242 -110.51 77.1738 -110.51 -27.0411 GPRESSURE: 2521800 -174.007 -1.65666 44.8779 46.5364 109.824 -84.6352 98.6242 -136.173 15.1995 PRESSAVG: 2521800 -5.30002 -3.37572 -0.0771778 -3.37572 -17.9777 -26.1327 -0.0771043 -26.1327 -2.43187 GPRESSAVG: 2521800 -5.48207 -3.93716 -0.861526 -2.96658 -17.9453 -25.1011 -2.16543 -27.214 -2.49782 TIMING: 2521800 CPU: 7523.82, 0.00295473/step Wall: 7523.82, 0.00295473/step, 2.034 hours remaining, 206.539062 MB of memory in use. ENERGY: 2521800 732.4212 2132.7314 1923.7539 105.8357 -206309.2675 17885.1643 0.0000 0.0000 34089.4037 -149439.9572 297.7112 -183529.3610 -149336.7572 298.6700 -51.1213 -16.3280 558600.8916 -8.5699 -8.6417 PRESSURE: 2522000 256.433 -58.7449 76.6435 -58.7457 -287.023 38.0626 76.6428 38.0637 72.3046 GPRESSURE: 2522000 268.13 71.3376 24.1763 -111.636 -233.168 31.2125 119.844 22.1331 117.041 PRESSAVG: 2522000 7.9498 -36.0757 13.0884 -36.0756 -47.6103 -51.5741 13.0885 -51.5741 36.6427 GPRESSAVG: 2522000 9.74847 -38.1076 12.2948 -34.5843 -49.5159 -52.3663 15.6888 -51.7127 36.3166 TIMING: 2522000 CPU: 7524.42, 0.0029746/step Wall: 7524.42, 0.0029746/step, 2.04751 hours remaining, 206.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2522000 770.9965 2063.3068 1929.7754 113.3519 -206425.6009 17879.2343 0.0000 0.0000 34231.4863 -149437.4497 298.9521 -183668.9360 -149348.9591 298.6456 13.9049 50.6679 557208.2564 -1.0059 -1.1503 PRESSURE: 2522200 -132.32 19.6157 -183.151 19.6161 7.42768 125.434 -183.152 125.432 -223.86 GPRESSURE: 2522200 -35.5782 69.4194 -186.233 -24.8715 12.8274 28.4275 -214.356 63.7613 -241.911 PRESSAVG: 2522200 21.3802 19.0719 -61.1113 19.0718 7.62604 -11.1093 -61.1112 -11.1093 42.5824 GPRESSAVG: 2522200 20.0511 21.0348 -60.3051 17.3891 7.88124 -10.8546 -62.9486 -9.83679 44.0442 TIMING: 2522200 CPU: 7525.01, 0.00295087/step Wall: 7525.01, 0.00295087/step, 2.03102 hours remaining, 206.539062 MB of memory in use. ENERGY: 2522200 749.8390 2107.5532 1936.7913 110.6489 -206098.6002 17604.3521 0.0000 0.0000 34212.9501 -149376.4656 298.7902 -183589.4158 -149274.0325 298.9032 -116.2510 -88.2206 557946.6840 23.8629 23.9922 PRESSURE: 2522400 98.3288 -131.978 105.85 -131.978 -328.791 129.349 105.851 129.348 -235.427 GPRESSURE: 2522400 155.54 -97.6513 32.9164 -99.1629 -301.202 125.903 103.596 235.756 -218.186 PRESSAVG: 2522400 -52.0468 -42.9457 -34.61 -42.9458 26.9923 3.29988 -34.6098 3.29984 -0.173548 GPRESSAVG: 2522400 -52.2451 -41.4988 -35.6336 -43.3609 27.1906 3.59323 -33.998 2.98741 -0.352749 TIMING: 2522400 CPU: 7525.6, 0.00295613/step Wall: 7525.6, 0.00295613/step, 2.03448 hours remaining, 206.539062 MB of memory in use. ENERGY: 2522400 760.5267 2092.4116 1943.6506 110.1151 -205998.4108 17555.4040 0.0000 0.0000 34213.3989 -149322.9038 298.7941 -183536.3027 -149230.0498 299.2330 -155.2963 -121.2825 559001.7877 -8.4093 -8.4691 PRESSURE: 2522600 -74.2334 -188.407 -155.553 -188.405 56.858 -106.431 -155.552 -106.432 71.5783 GPRESSURE: 2522600 -38.8519 -121.035 -247.165 -229.555 80.2092 -98.343 -50.6843 -129.012 97.4226 PRESSAVG: 2522600 -46.7303 8.04485 -85.3707 8.04484 8.18514 4.1923 -85.3706 4.19232 3.21097 GPRESSAVG: 2522600 -46.4643 5.97737 -83.6977 10.2639 7.67135 5.09143 -85.2959 5.23517 3.29607 TIMING: 2522600 CPU: 7526.19, 0.00294208/step Wall: 7526.19, 0.00294208/step, 2.02464 hours remaining, 206.539062 MB of memory in use. ENERGY: 2522600 768.2649 2144.5657 1937.9410 104.5929 -206178.4275 17748.0671 0.0000 0.0000 34277.6261 -149197.3697 299.3550 -183474.9959 -149105.5959 299.2492 18.0676 46.2600 557392.8644 -11.7781 -11.8323 PRESSURE: 2522800 -239.835 2.76341 -62.8563 2.76411 -89.3326 110.406 -62.8565 110.406 -16.4093 GPRESSURE: 2522800 -228.776 5.31915 -49.7372 -71.2447 -80.4724 -16.6763 -84.8637 131.892 60.4152 PRESSAVG: 2522800 -19.0498 2.43868 -30.8309 2.43873 30.8038 -7.39054 -30.831 -7.39054 -23.861 GPRESSAVG: 2522800 -19.1136 0.628385 -31.6543 2.78651 31.7708 -9.27321 -29.5327 -7.75642 -24.9266 TIMING: 2522800 CPU: 7526.78, 0.00297019/step Wall: 7526.78, 0.00297019/step, 2.04382 hours remaining, 206.539062 MB of memory in use. ENERGY: 2522800 749.6193 2082.2725 1932.3659 114.2816 -205833.7735 17719.6598 0.0000 0.0000 34164.8464 -149070.7279 298.3701 -183235.5743 -148979.8147 299.6646 -115.1922 -82.9443 560438.7235 -4.0357 -4.0898 PRESSURE: 2523000 56.8103 177.094 174.066 177.094 126.967 55.6113 174.065 55.6101 -44.4616 GPRESSURE: 2523000 75.9194 239.624 138.969 171.34 144.859 -31.579 239.731 85.8449 -0.610204 PRESSAVG: 2523000 -46.9567 22.2708 -10.8186 22.2707 42.6512 -0.0789025 -10.8186 -0.0789079 -17.3348 GPRESSAVG: 2523000 -47.5773 26.9017 -10.8901 19.1934 43.487 -0.353984 -12.8552 -2.29227 -17.8496 TIMING: 2523000 CPU: 7527.38, 0.00296829/step Wall: 7527.38, 0.00296829/step, 2.04235 hours remaining, 206.539062 MB of memory in use. ENERGY: 2523000 733.8076 2089.7103 1926.1093 118.6676 -206805.5232 18241.3672 0.0000 0.0000 34539.3346 -149156.5267 301.6406 -183695.8613 -149057.7519 299.5727 46.4387 73.3895 560057.2462 -7.2134 -7.3133 PRESSURE: 2523200 181.921 -11.6539 -47.033 -11.6525 0.318026 204.932 -47.0317 204.932 -232.02 GPRESSURE: 2523200 157.645 -25.126 49.9849 -66.2367 55.8431 192.912 -61.4222 113.749 -152.969 PRESSAVG: 2523200 22.2347 -6.5778 10.7959 -6.57783 -13.6308 33.41 10.796 33.41 -36.3878 GPRESSAVG: 2523200 22.3672 -8.81748 10.7788 -4.40875 -14.0426 32.7426 11.037 34.0738 -35.9977 TIMING: 2523200 CPU: 7527.97, 0.0029584/step Wall: 7527.97, 0.0029584/step, 2.03538 hours remaining, 206.539062 MB of memory in use. ENERGY: 2523200 699.9480 2111.6921 1916.4390 114.3154 -205869.1858 17714.3201 0.0000 0.0000 34111.3446 -149201.1266 297.9029 -183312.4712 -149107.9223 299.4653 -16.5935 20.1730 558375.6837 -9.2613 -9.2244 PRESSURE: 2523400 -126.254 38.6398 -35.4044 38.6389 216.075 116.512 -35.4051 116.513 -82.0233 GPRESSURE: 2523400 -76.8473 58.7619 -50.0935 57.9225 211.862 69.2207 12.4763 137.182 -28.4539 PRESSAVG: 2523400 -34.62 6.06831 -11.4922 6.06836 61.3904 9.82979 -11.4921 9.82974 -11.2683 GPRESSAVG: 2523400 -33.9673 4.20624 -10.7525 7.20967 60.7639 12.7877 -11.3976 7.90515 -11.3623 TIMING: 2523400 CPU: 7528.56, 0.00295948/step Wall: 7528.56, 0.00295948/step, 2.03596 hours remaining, 206.539062 MB of memory in use. ENERGY: 2523400 773.0094 2079.7664 1918.4241 109.3102 -206104.1721 17655.4038 0.0000 0.0000 34303.1939 -149265.0643 299.5783 -183568.2582 -149170.9145 298.6713 2.5990 35.5204 556038.6779 5.1674 5.1448 PRESSURE: 2523600 407.637 62.6846 -113.346 62.6856 85.7206 31.5413 -113.346 31.5413 198.256 GPRESSURE: 2523600 412.871 8.87354 -35.037 120.24 125.807 3.3957 -84.9898 74.5532 255.788 PRESSAVG: 2523600 90.9734 14.4878 -46.4012 14.488 -30.5291 26.6614 -46.4012 26.6614 -71.9414 GPRESSAVG: 2523600 90.7596 16.8525 -45.469 13.5845 -31.4347 25.0476 -47.2311 28.3173 -71.3918 TIMING: 2523600 CPU: 7529.15, 0.00297335/step Wall: 7529.15, 0.00297335/step, 2.04534 hours remaining, 206.539062 MB of memory in use. ENERGY: 2523600 770.9997 2106.2605 1932.5951 96.7428 -206878.8161 18282.7496 0.0000 0.0000 34324.2407 -149365.2276 299.7621 -183689.4683 -149271.7399 299.6599 230.5377 264.8218 555888.9906 -3.8324 -4.0223 PRESSURE: 2523800 -73.1166 -68.6916 -79.7618 -68.6917 -188.241 -61.9556 -79.7625 -61.9557 -301.074 GPRESSURE: 2523800 -70.8864 -122.996 -96.4983 14.7927 -103.164 -81.0306 -110.533 -86.6352 -289.091 PRESSAVG: 2523800 20.7074 -9.2447 -33.9506 -9.2447 5.99596 -18.7442 -33.9506 -18.7442 -26.5578 GPRESSAVG: 2523800 20.2985 -9.48166 -35.9132 -9.01476 7.26859 -18.8542 -32.5222 -19.8462 -27.2794 TIMING: 2523800 CPU: 7529.74, 0.00294218/step Wall: 7529.74, 0.00294218/step, 2.02373 hours remaining, 206.539062 MB of memory in use. ENERGY: 2523800 729.3139 2123.4523 1937.0977 119.7626 -206228.4254 17571.8295 0.0000 0.0000 34271.2649 -149475.7045 299.2995 -183746.9694 -149376.1845 298.7587 -187.4772 -154.3806 558083.9446 0.0485 0.0959 PRESSURE: 2524000 -13.2202 162.308 222.554 162.307 -215.725 39.1504 222.554 39.1496 -26.3342 GPRESSURE: 2524000 50.4353 148.831 131.311 221.16 -254.402 123.874 254.844 103.619 31.7555 PRESSAVG: 2524000 42.6682 11.005 -16.6576 11.005 -17.557 -19.2995 -16.6577 -19.2995 -36.7802 GPRESSAVG: 2524000 44.433 11.1139 -17.6848 10.4892 -17.9524 -18.9033 -15.793 -18.0858 -37.6736 TIMING: 2524000 CPU: 7530.33, 0.00294282/step Wall: 7530.33, 0.00294282/step, 2.024 hours remaining, 206.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2524000 792.7502 2048.7858 1915.1490 108.5258 -206270.0903 17702.2756 0.0000 0.0000 34268.6690 -149433.9349 299.2768 -183702.6039 -149342.5550 298.9976 -85.0932 -57.4039 557919.2961 -3.8897 -3.7310 PRESSURE: 2524200 -233.738 76.0386 -16.7915 76.0378 -190.553 -81.5085 -16.7912 -81.509 -257.538 GPRESSURE: 2524200 -194.108 -30.1697 39.6265 96.5336 -179.807 -210.312 -70.8265 -47.2717 -204.852 PRESSAVG: 2524200 -66.1304 15.366 -34.4601 15.3661 35.286 -20.0565 -34.4601 -20.0566 33.8298 GPRESSAVG: 2524200 -68.814 13.1267 -31.7072 15.0079 35.4774 -19.4097 -36.8775 -19.0614 35.9745 TIMING: 2524200 CPU: 7530.92, 0.0029445/step Wall: 7530.92, 0.0029445/step, 2.025 hours remaining, 206.539062 MB of memory in use. ENERGY: 2524200 737.3041 1997.2386 1964.2759 117.7023 -205886.0569 17402.0147 0.0000 0.0000 34193.2689 -149474.2525 298.6183 -183667.5213 -149370.1117 298.7345 -227.2766 -192.9222 556985.5190 0.9951 0.8793 LDB: ============= START OF LOAD BALANCING ============== 7534.47 LDB: ============== END OF LOAD BALANCING =============== 7534.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7534.47 LDB: ============= START OF LOAD BALANCING ============== 7534.76 LDB: Largest compute 4773 load 0.027809 is 23.5% of average load 0.118305 LDB: Average compute 0.001735 is 1.5% of average load 0.118305 LDB: TIME 7534.77 LOAD: AVG 0.118305 MAX 0.204341 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.848 MB LDB: TIME 7534.77 LOAD: AVG 0.118305 MAX 0.204341 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.09 MB LDB: TIME 7534.77 LOAD: AVG 0.118305 MAX 0.204341 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.09 MB LDB: ============== END OF LOAD BALANCING =============== 7534.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7534.77 PRESSURE: 2524400 -209.429 39.589 196.767 39.5895 -57.2671 -118.11 196.767 -118.11 68.1739 GPRESSURE: 2524400 -165.556 34.4103 192.388 -62.3577 2.00241 -86.3303 239.767 -139.054 62.1746 PRESSAVG: 2524400 -30.7252 14.4558 56.0559 14.4559 -45.1362 -55.1006 56.056 -55.1006 21.0549 GPRESSAVG: 2524400 -28.9878 16.0722 54.3841 14.2748 -46.2736 -54.8652 57.1417 -56.3578 20.4551 TIMING: 2524400 CPU: 7531.52, 0.00301899/step Wall: 7531.52, 0.00301899/step, 2.07606 hours remaining, 206.296875 MB of memory in use. ENERGY: 2524400 764.5795 2044.6677 1934.2317 108.1918 -206080.0957 17654.1166 0.0000 0.0000 34103.7620 -149470.5464 297.8366 -183574.3084 -149378.7577 298.6620 -66.1740 -33.7930 557828.7980 -18.2688 -18.2688 PRESSURE: 2524600 -58.1504 -4.17091 37.9495 -4.17082 278.907 110.279 37.9496 110.28 149.605 GPRESSURE: 2524600 -45.2662 75.8812 -13.0983 2.26663 290.307 80.9923 107.25 75.3916 209.824 PRESSAVG: 2524600 -85.7884 18.6364 -3.96985 18.6364 40.9934 -2.31873 -3.96979 -2.3188 31.4236 GPRESSAVG: 2524600 -86.5418 17.6091 -2.29352 19.5463 42.3744 -4.16808 -5.07636 0.0255193 31.3683 TIMING: 2524600 CPU: 7532.11, 0.00295585/step Wall: 7532.11, 0.00295585/step, 2.03248 hours remaining, 206.296875 MB of memory in use. ENERGY: 2524600 744.6597 2021.7900 1932.2547 121.9545 -206729.9295 18189.8218 0.0000 0.0000 34292.4144 -149427.0344 299.4842 -183719.4488 -149333.9562 298.8208 123.4536 151.6213 558752.4510 -4.4571 -4.2664 PRESSURE: 2524800 -239.318 104.267 141.405 104.266 -251.85 -77.1216 141.404 -77.121 -209.768 GPRESSURE: 2524800 -183.129 148.708 159.273 94.3174 -195.365 -37.3212 175.226 -23.4994 -214.194 PRESSAVG: 2524800 -7.66039 5.92583 7.26664 5.92587 37.1174 -61.6866 7.26667 -61.6867 4.53687 GPRESSAVG: 2524800 -8.09602 5.59451 6.09125 6.48394 37.6068 -62.429 9.82446 -62.7979 4.57796 TIMING: 2524800 CPU: 7532.71, 0.00296305/step Wall: 7532.71, 0.00296305/step, 2.03726 hours remaining, 206.296875 MB of memory in use. ENERGY: 2524800 768.4292 2086.7052 1931.8397 107.4549 -205971.1497 17527.1822 0.0000 0.0000 34104.4998 -149445.0386 297.8431 -183549.5384 -149346.8088 298.7656 -233.6454 -197.5627 558778.7930 11.3313 11.3629 PRESSURE: 2525000 -265.136 -3.07585 -0.283956 -3.07614 11.3282 125.209 -0.28397 125.21 -6.71908 GPRESSURE: 2525000 -195.743 104.604 21.1931 28.9882 75.2977 139.909 -37.8206 137.63 -40.4773 PRESSAVG: 2525000 4.41572 54.6362 36.6917 54.6362 -20.6607 -15.159 36.6917 -15.1589 41.0613 GPRESSAVG: 2525000 4.47249 54.0862 38.368 55.4097 -19.6355 -11.3993 33.6104 -15.4731 40.11 TIMING: 2525000 CPU: 7533.3, 0.00297155/step Wall: 7533.3, 0.00297155/step, 2.04294 hours remaining, 206.296875 MB of memory in use. ENERGY: 2525000 761.9905 2004.1672 1933.1100 111.3914 -206078.4552 17729.9183 0.0000 0.0000 34031.1081 -149506.7697 297.2021 -183537.8778 -149405.1389 298.6690 -86.8422 -53.6410 559254.4525 8.2721 8.3157 PRESSURE: 2525200 -157.252 178.052 27.6617 178.051 -52.4845 49.4424 27.6627 49.4413 -118.201 GPRESSURE: 2525200 -129.617 107.944 36.1916 242.882 -29.4937 53.8143 14.4189 42.4032 -66.4322 PRESSAVG: 2525200 -42.0705 58.757 -9.8742 58.757 42.467 -1.00875 -9.87412 -1.00866 6.89125 GPRESSAVG: 2525200 -42.6444 60.1964 -10.6801 55.9363 41.2406 -5.47484 -9.1095 -0.941066 8.00505 TIMING: 2525200 CPU: 7533.9, 0.00297701/step Wall: 7533.9, 0.00297701/step, 2.04653 hours remaining, 206.296875 MB of memory in use. ENERGY: 2525200 757.0321 2099.5222 1940.2565 118.4222 -206052.6387 17691.3042 0.0000 0.0000 34111.7903 -149334.3111 297.9067 -183446.1014 -149234.7948 298.1724 -109.3123 -75.1808 558305.8332 2.4293 2.2004 PRESSURE: 2525400 5.00923 -71.7142 -117.415 -71.7143 -186.318 -174.442 -117.415 -174.441 -103.066 GPRESSURE: 2525400 -39.7566 -67.6172 -140.268 -35.7419 -93.3577 -116.269 -93.4008 -164.409 -63.1226 PRESSAVG: 2525400 -26.8715 12.0227 -4.157 12.0227 39.0859 -52.4585 -4.15697 -52.4584 -60.97 GPRESSAVG: 2525400 -27.103 11.4341 -4.87408 13.1589 38.2413 -48.675 -4.7449 -52.3174 -59.9264 TIMING: 2525400 CPU: 7534.5, 0.00299061/step Wall: 7534.5, 0.00299061/step, 2.05572 hours remaining, 206.296875 MB of memory in use. ENERGY: 2525400 700.6883 2150.8523 1921.7325 113.9990 -205955.3160 17575.7559 0.0000 0.0000 34317.2554 -149175.0326 299.7011 -183492.2879 -149079.3929 298.9445 -94.7915 -65.4123 557281.8656 -16.2519 -16.2627 PRESSURE: 2525600 32.101 208.483 -104.878 208.483 248.79 172.592 -104.878 172.591 -266.69 GPRESSURE: 2525600 28.5665 162.901 -175.863 207.263 304.989 199.099 -140.939 80.7476 -214.568 PRESSAVG: 2525600 14.2781 21.9152 4.05235 21.9153 44.0241 31.9399 4.05235 31.94 -56.5806 GPRESSAVG: 2525600 15.2573 21.7795 3.58516 22.0293 44.9167 29.4349 5.48603 31.1322 -58.4057 TIMING: 2525600 CPU: 7535.09, 0.0029858/step Wall: 7535.09, 0.0029858/step, 2.05224 hours remaining, 206.554688 MB of memory in use. ENERGY: 2525600 746.5851 2054.8672 1927.3775 110.4642 -206170.5974 17972.7218 0.0000 0.0000 34208.9636 -149149.6180 298.7554 -183358.5817 -149056.0728 299.8108 4.7336 39.6626 556975.4587 0.5739 0.5894 PRESSURE: 2525800 -248.543 -74.6685 -67.1042 -74.6691 -69.5498 -28.6047 -67.1051 -28.6039 -140.746 GPRESSURE: 2525800 -181.256 -75.5176 -13.4477 -117.925 -38.7425 27.6159 -159.936 -60.3925 -131.44 PRESSAVG: 2525800 -24.3991 -64.5236 -20.9101 -64.5236 84.2554 52.0525 -20.91 52.0525 -42.4504 GPRESSAVG: 2525800 -24.2148 -63.3682 -20.7817 -63.4477 84.3206 53.8593 -21.2447 52.3579 -42.7296 TIMING: 2525800 CPU: 7535.69, 0.00299342/step Wall: 7535.69, 0.00299342/step, 2.05731 hours remaining, 206.554688 MB of memory in use. ENERGY: 2525800 761.7712 2104.0326 1946.7628 115.8573 -206094.7493 17619.6427 0.0000 0.0000 34488.5367 -149058.1460 301.1970 -183546.6828 -148966.7912 300.1017 -152.9462 -117.1463 557933.9846 5.8020 5.7921 PRESSURE: 2526000 23.9625 59.7976 -38.3479 59.7996 -159.674 -53.0169 -38.3481 -53.0168 14.5546 GPRESSURE: 2526000 83.9302 67.8735 -46.5295 26.8643 -128.79 -78.5754 62.5314 -42.1238 25.7193 PRESSAVG: 2526000 -35.6966 33.4686 -33.4828 33.4687 49.3096 -17.8596 -33.4829 -17.8597 -30.6685 GPRESSAVG: 2526000 -35.9238 33.7581 -32.3684 33.9072 47.9607 -18.8934 -35.2606 -19.289 -29.1932 TIMING: 2526000 CPU: 7536.28, 0.00296268/step Wall: 7536.28, 0.00296268/step, 2.03602 hours remaining, 206.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2526000 781.6807 2089.6548 1912.3916 115.3263 -205958.2452 17668.8072 0.0000 0.0000 34446.1262 -148944.2585 300.8266 -183390.3847 -148854.9026 300.4781 -40.3856 -6.3802 557652.3953 -5.6851 -5.7188 PRESSURE: 2526200 101.709 26.9894 -20.8892 26.9898 40.8113 -4.79283 -20.8882 -4.79454 186.506 GPRESSURE: 2526200 180.846 51.1014 30.5074 -38.9744 24.2733 -17.1876 15.2275 27.5139 221.688 PRESSAVG: 2526200 -34.1385 -41.355 34.136 -41.3549 93.2514 82.6258 34.1361 82.6258 -35.4686 GPRESSAVG: 2526200 -33.9427 -38.9736 33.1493 -43.5938 93.9041 80.5688 37.6844 83.5095 -36.3938 TIMING: 2526200 CPU: 7536.88, 0.00298067/step Wall: 7536.88, 0.00298067/step, 2.04822 hours remaining, 206.554688 MB of memory in use. ENERGY: 2526200 757.9266 2099.6155 1908.6072 119.9925 -206041.1472 17833.2501 0.0000 0.0000 34299.1383 -149022.6168 299.5429 -183321.7551 -148923.2922 300.2743 109.6753 142.2693 557078.2607 7.8815 7.8559 PRESSURE: 2526400 -64.3156 -124.057 -41.8586 -124.056 44.0202 53.7356 -41.8587 53.7359 -295.118 GPRESSURE: 2526400 -39.9765 -81.043 -9.94309 -152.74 115.619 71.7648 -138.673 36.6463 -289.454 PRESSAVG: 2526400 59.4931 -51.6899 45.1551 -51.6899 -15.5508 3.9876 45.1552 3.98768 -34.4864 GPRESSAVG: 2526400 58.4777 -53.8131 41.9894 -50.8994 -14.5823 7.0816 44.6932 3.46297 -34.4117 TIMING: 2526400 CPU: 7537.47, 0.00295953/step Wall: 7537.47, 0.00295953/step, 2.03353 hours remaining, 206.554688 MB of memory in use. ENERGY: 2526400 737.3950 2078.1192 1933.9399 123.9243 -205752.9491 17641.9029 0.0000 0.0000 34387.9630 -148849.7048 300.3186 -183237.6678 -148757.1213 300.2338 -105.1377 -71.2705 558032.6396 3.1520 3.1612 PRESSURE: 2526600 -433.02 -6.38114 96.0617 -6.38025 28.2594 -97.6304 96.0617 -97.6305 55.4688 GPRESSURE: 2526600 -337.707 -76.5895 51.8734 69.5558 15.7465 -115.316 135.899 -97.7943 82.5609 PRESSAVG: 2526600 45.624 8.8444 12.7998 8.84446 60.9523 -43.0487 12.7999 -43.0487 -109.834 GPRESSAVG: 2526600 47.6584 8.07183 14.8512 10.9051 59.1473 -41.8906 12.4547 -44.3131 -109.753 TIMING: 2526600 CPU: 7538.07, 0.00299207/step Wall: 7538.07, 0.00299207/step, 2.05572 hours remaining, 206.554688 MB of memory in use. ENERGY: 2526600 779.3377 2136.3597 1919.8988 107.7194 -205904.3827 17752.7531 0.0000 0.0000 34315.7477 -148892.5664 299.6880 -183208.3142 -148800.2446 300.7071 -116.4307 -79.7999 559258.8094 -1.0858 -0.9826 PRESSURE: 2526800 45.0384 199.416 -75.6311 199.417 -197.55 -34.6276 -75.632 -34.6289 -219.239 GPRESSURE: 2526800 75.7292 186.001 -64.3355 130.221 -160.082 -11.445 -76.5416 25.5718 -195.312 PRESSAVG: 2526800 21.8489 13.5878 -4.09748 13.5879 -56.5314 -103.071 -4.09744 -103.071 30.3111 GPRESSAVG: 2526800 19.9945 15.5337 -3.6687 11.6252 -56.3564 -103.728 -3.29766 -102.652 31.2858 TIMING: 2526800 CPU: 7538.66, 0.00297325/step Wall: 7538.66, 0.00297325/step, 2.04262 hours remaining, 206.554688 MB of memory in use. ENERGY: 2526800 741.3993 2084.8362 1954.2834 114.8055 -205856.9499 17743.5444 0.0000 0.0000 34253.2778 -148964.8033 299.1424 -183218.0811 -148870.3854 300.3849 -123.9168 -93.2215 558473.2458 -1.4571 -1.6920 PRESSURE: 2527000 -107.134 15.7469 -206.71 15.7466 -81.9383 -253.967 -206.711 -253.966 -118.262 GPRESSURE: 2527000 -91.5526 -99.2593 -244.168 98.9782 -39.0517 -205.486 -66.6234 -153.636 -76.5967 PRESSAVG: 2527000 27.5575 60.1736 14.807 60.1736 -5.00312 -14.9651 14.807 -14.9651 -1.72723 GPRESSAVG: 2527000 28.0127 57.6544 14.0432 61.651 -4.25123 -16.1037 14.5498 -13.8354 -2.60176 TIMING: 2527000 CPU: 7539.25, 0.00294142/step Wall: 7539.25, 0.00294142/step, 2.02059 hours remaining, 206.554688 MB of memory in use. ENERGY: 2527000 733.6290 2140.8001 1947.6783 117.6302 -206455.9213 17744.3930 0.0000 0.0000 34556.2317 -149215.5590 301.7882 -183771.7907 -149123.6190 299.7534 -102.4448 -69.0670 556633.7632 6.9424 7.0532 PRESSURE: 2527200 -132.947 103.161 81.3027 103.16 -216.201 22.9826 81.3013 22.984 -478.832 GPRESSURE: 2527200 -96.1178 113.7 122.725 111.853 -183.151 23.4794 65.9468 -0.912832 -456.686 PRESSAVG: 2527200 47.1736 20.9171 -52.3581 20.9171 -16.3422 -2.38722 -52.3581 -2.38727 -56.2132 GPRESSAVG: 2527200 46.1764 22.4282 -52.5208 21.4878 -17.0909 -2.41705 -53.6325 -2.50144 -55.1516 TIMING: 2527200 CPU: 7539.85, 0.0029843/step Wall: 7539.85, 0.0029843/step, 2.04988 hours remaining, 206.554688 MB of memory in use. ENERGY: 2527200 775.8212 2108.3214 1908.6942 116.9864 -205801.4484 17374.0620 0.0000 0.0000 34267.8340 -149249.7292 299.2695 -183517.5632 -149156.3093 299.9839 -275.9933 -245.3183 555657.2871 -8.4606 -8.6887 PRESSURE: 2527400 -134.486 6.79177 -80.252 6.79165 -254.24 0.202547 -80.253 0.203564 135.963 GPRESSURE: 2527400 -97.3327 4.60218 -45.0716 63.6045 -211.308 -57.2241 -47.9743 -34.5747 150.821 PRESSAVG: 2527400 -28.3562 -21.2102 -3.1039 -21.2103 3.43576 35.5125 -3.10395 35.5126 -19.8402 GPRESSAVG: 2527400 -27.7554 -21.073 -2.2082 -22.8115 3.61247 37.5122 -1.70297 34.0973 -20.7884 TIMING: 2527400 CPU: 7540.44, 0.00294076/step Wall: 7540.44, 0.00294076/step, 2.01981 hours remaining, 206.554688 MB of memory in use. ENERGY: 2527400 763.1033 2128.6449 1913.1784 108.0490 -205958.0428 17666.1519 0.0000 0.0000 34000.6624 -149378.2529 296.9362 -183378.9153 -149282.5001 299.0748 -84.2545 -52.6066 558745.7130 -14.9202 -14.9771 PRESSURE: 2527600 -67.0446 50.7492 122.056 50.7495 56.0041 8.78053 122.055 8.78091 246.622 GPRESSURE: 2527600 -83.1008 121.076 105.674 -16.6805 77.174 89.0612 198.052 -25.5706 344.511 PRESSAVG: 2527600 -13.5076 -9.70651 -6.37467 -9.70646 -2.07621 54.9805 -6.37472 54.9805 21.9822 GPRESSAVG: 2527600 -14.1101 -10.2944 -8.63356 -10.0161 -1.97167 53.0113 -5.69763 56.9052 22.6724 TIMING: 2527600 CPU: 7541.03, 0.00294969/step Wall: 7541.03, 0.00294969/step, 2.02578 hours remaining, 206.554688 MB of memory in use. ENERGY: 2527600 720.7975 2132.3717 1933.8693 122.7982 -206413.8080 17928.4087 0.0000 0.0000 34211.6193 -149363.9434 298.7786 -183575.5627 -149264.0444 298.8457 78.5271 112.8613 556226.1319 2.1328 2.1969 PRESSURE: 2527800 417.756 -118.444 8.02997 -118.443 81.5205 -105.144 8.03013 -105.144 141.484 GPRESSURE: 2527800 374.343 -59.8068 -32.4797 -153.351 194.427 -88.1415 21.7001 -152.08 175.832 PRESSAVG: 2527800 12.1854 -27.1927 -9.67043 -27.1928 -54.502 -26.6736 -9.67045 -26.6737 14.5888 GPRESSAVG: 2527800 11.6092 -27.4295 -7.72299 -26.2142 -53.4695 -25.9161 -10.022 -27.4495 14.325 TIMING: 2527800 CPU: 7541.62, 0.00295706/step Wall: 7541.62, 0.00295706/step, 2.03068 hours remaining, 206.554688 MB of memory in use. ENERGY: 2527800 744.0227 2040.0421 1924.7859 112.3348 -206452.1982 18152.6687 0.0000 0.0000 34205.2131 -149273.1308 298.7226 -183478.3439 -149178.8254 298.4774 213.5866 248.2006 555613.7372 -9.2426 -9.1784 PRESSURE: 2528000 32.8148 -36.992 -18.0909 -36.9925 -251.061 -35.8203 -18.0928 -35.8204 64.3989 GPRESSURE: 2528000 33.8324 -113.127 -12.6257 64.823 -169.209 -57.3855 -68.6545 -145.54 86.0685 PRESSAVG: 2528000 29.3794 -18.562 -19.4781 -18.562 -12.0775 -24.3253 -19.478 -24.3253 -25.9239 GPRESSAVG: 2528000 29.8031 -19.0342 -17.2851 -18.9239 -12.546 -24.4017 -21.7597 -22.3892 -26.2509 TIMING: 2528000 CPU: 7542.21, 0.00295984/step Wall: 7542.21, 0.00295984/step, 2.03242 hours remaining, 206.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2528000 757.8231 2040.2842 1938.5714 106.1210 -206422.0196 17843.4056 0.0000 0.0000 34379.4959 -149356.3183 300.2447 -183735.8142 -149266.2083 298.6653 -51.2823 -16.4362 557130.4649 -2.8740 -2.9979 PRESSURE: 2528200 -279.664 83.3946 -29.3857 83.3949 -236.745 -54.6908 -29.3853 -54.6907 -91.9307 GPRESSURE: 2528200 -227.35 33.5157 -41.7546 38.8855 -204.115 -13.3096 34.7792 -130.463 -78.8556 PRESSAVG: 2528200 29.2271 22.5633 -23.5265 22.5634 -36.0083 -13.8866 -23.5265 -13.8866 -9.06238 GPRESSAVG: 2528200 29.1634 22.2098 -24.6074 22.6363 -36.4127 -14.8889 -22.1906 -15.2735 -8.95407 TIMING: 2528200 CPU: 7542.81, 0.0029756/step Wall: 7542.81, 0.0029756/step, 2.04308 hours remaining, 206.554688 MB of memory in use. ENERGY: 2528200 762.7025 2129.3861 1932.1179 120.9738 -205846.8103 17531.6727 0.0000 0.0000 34080.7704 -149289.1869 297.6358 -183369.9573 -149200.2740 298.8480 -202.7800 -170.1069 558340.3975 -5.2812 -5.4011 LDB: ============= START OF LOAD BALANCING ============== 7546.36 LDB: ============== END OF LOAD BALANCING =============== 7546.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7546.36 LDB: ============= START OF LOAD BALANCING ============== 7546.66 LDB: Largest compute 4773 load 0.026253 is 22.2% of average load 0.118308 LDB: Average compute 0.001727 is 1.5% of average load 0.118308 LDB: TIME 7546.66 LOAD: AVG 0.118308 MAX 0.204958 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.07 MB LDB: TIME 7546.66 LOAD: AVG 0.118308 MAX 0.204958 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.133 MB LDB: TIME 7546.66 LOAD: AVG 0.118308 MAX 0.204958 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.133 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7546.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7546.67 PRESSURE: 2528400 -264.207 140.288 -2.23635 140.287 -276.736 134.424 -2.2358 134.424 -114.431 GPRESSURE: 2528400 -226.064 200.116 20.6338 83.1803 -237.51 113.679 13.4122 158.622 -106.997 PRESSAVG: 2528400 21.6651 -6.36438 -1.47304 -6.36433 -26.3222 52.986 -1.47306 52.9861 -13.3741 GPRESSAVG: 2528400 21.6348 -5.18431 -1.95705 -6.91332 -25.7234 54.2532 -0.00289629 53.6912 -13.1135 TIMING: 2528400 CPU: 7543.42, 0.0030464/step Wall: 7543.42, 0.0030464/step, 2.09152 hours remaining, 207.007812 MB of memory in use. ENERGY: 2528400 790.4545 2146.0701 1916.5472 104.8307 -205951.4430 17551.7951 0.0000 0.0000 34301.5060 -149140.2394 299.5636 -183441.7454 -149040.5884 299.1607 -218.4580 -190.1902 558285.3703 -6.0104 -5.7340 PRESSURE: 2528600 -173.303 98.4396 46.2702 98.4397 -161.701 -128.643 46.2701 -128.643 -4.45424 GPRESSURE: 2528600 -119.487 140.109 -5.56221 55.1954 -128.042 -170.601 73.2653 -64.5033 4.13479 PRESSAVG: 2528600 -41.1659 -1.19871 18.8604 -1.19873 4.37713 23.1965 18.8604 23.1966 11.7932 GPRESSAVG: 2528600 -41.3029 -1.24384 20.9365 -2.30256 4.75255 22.4543 16.2398 24.2488 11.607 TIMING: 2528600 CPU: 7544.01, 0.00297182/step Wall: 7544.01, 0.00297182/step, 2.04015 hours remaining, 207.007812 MB of memory in use. ENERGY: 2528600 743.7861 2032.6499 1950.8049 111.7150 -206061.3546 17639.3905 0.0000 0.0000 34300.0528 -149282.9554 299.5509 -183583.0082 -149188.8412 299.6737 -113.1528 -81.1312 556077.0397 -8.3319 -8.3145 PRESSURE: 2528800 -169.373 65.2986 37.8824 65.297 -240.333 241.929 37.8821 241.928 -226.874 GPRESSURE: 2528800 -160.124 102.921 76.6133 -0.682946 -215.787 207.072 135.048 276.074 -163.452 PRESSAVG: 2528800 -31.7466 32.8286 64.4428 32.8287 4.24716 -19.7405 64.4428 -19.7404 25.0037 GPRESSAVG: 2528800 -30.645 34.9769 63.4921 33.1133 3.25292 -19.6708 66.0774 -20.3178 25.1001 TIMING: 2528800 CPU: 7544.61, 0.00298939/step Wall: 7544.61, 0.00298939/step, 2.05205 hours remaining, 207.007812 MB of memory in use. ENERGY: 2528800 755.9244 2117.8450 1963.7106 108.9949 -206136.8228 17622.3176 0.0000 0.0000 34318.0405 -149249.9899 299.7080 -183568.0303 -149152.4097 299.8591 -212.1931 -179.7875 556923.0203 -0.8319 -0.7640 PRESSURE: 2529000 -284.661 41.0263 -260.35 41.0256 -212.762 145.625 -260.349 145.628 -246.877 GPRESSURE: 2529000 -219.427 71.7636 -256.7 -66.4321 -169.248 160.414 -230.938 82.8983 -257.105 PRESSAVG: 2529000 15.27 25.2541 -31.6066 25.2542 -20.9089 -23.8391 -31.6065 -23.8392 -6.98657 GPRESSAVG: 2529000 15.6745 23.4915 -32.0059 25.6342 -20.0547 -23.0147 -32.1489 -23.4711 -7.84152 TIMING: 2529000 CPU: 7545.2, 0.00297658/step Wall: 7545.2, 0.00297658/step, 2.04309 hours remaining, 207.007812 MB of memory in use. ENERGY: 2529000 772.8956 2124.8556 1898.2026 124.1335 -205739.4153 17476.3931 0.0000 0.0000 34234.1550 -149108.7800 298.9754 -183342.9349 -149016.4795 299.4898 -248.0999 -215.2601 558299.1864 -4.2085 -4.0739 PRESSURE: 2529200 28.6949 -86.788 48.2834 -86.7878 19.8254 22.1443 48.2841 22.1427 229.046 GPRESSURE: 2529200 19.3565 -210.379 -1.05063 23.5343 73.1244 48.1215 9.41819 -24.6392 277.594 PRESSAVG: 2529200 7.79915 -20.8869 -26.1551 -20.8869 15.6206 56.6397 -26.155 56.6397 -5.05162 GPRESSAVG: 2529200 6.82231 -22.227 -29.2674 -19.5909 15.5708 56.2801 -24.4105 55.388 -3.94043 TIMING: 2529200 CPU: 7545.8, 0.002973/step Wall: 7545.8, 0.002973/step, 2.04047 hours remaining, 207.007812 MB of memory in use. ENERGY: 2529200 771.7494 2075.7716 1934.3195 105.1726 -206247.0608 18079.1080 0.0000 0.0000 34353.9001 -148927.0394 300.0212 -183280.9395 -148828.7632 300.4565 92.5220 123.3583 557485.9134 6.1227 6.1509 PRESSURE: 2529400 68.3098 41.0394 109.793 41.0381 -143.022 -54.1469 109.793 -54.1476 -89.6714 GPRESSURE: 2529400 46.5592 89.5222 102.94 -36.8929 -102.936 -30.015 150.334 -46.3275 -7.63551 PRESSAVG: 2529400 -4.79201 18.2762 6.68941 18.2762 16.0868 39.5981 6.68942 39.5981 -10.8597 GPRESSAVG: 2529400 -5.51204 19.2903 10.273 17.3463 16.822 40.4951 6.18524 38.8863 -9.82853 TIMING: 2529400 CPU: 7546.39, 0.00297331/step Wall: 7546.39, 0.00297331/step, 2.04052 hours remaining, 207.007812 MB of memory in use. ENERGY: 2529400 738.8842 2125.0974 1935.6635 117.1893 -205808.0132 17636.2650 0.0000 0.0000 34326.9952 -148927.9185 299.7862 -183254.9137 -148831.6356 300.3658 -54.7946 -21.3374 558486.7530 0.1450 0.4938 PRESSURE: 2529600 -209.284 31.222 53.3799 31.2232 -121.605 73.1888 53.3805 73.1889 -80.32 GPRESSURE: 2529600 -198.029 -24.6638 18.1205 56.7601 -44.9541 125.855 103.201 3.93527 -81.0413 PRESSAVG: 2529600 -40.3293 55.0305 20.8757 55.0306 5.07561 4.70522 20.8757 4.70523 15.3011 GPRESSAVG: 2529600 -39.4711 54.1624 17.9019 56.4329 4.57543 5.05655 22.3357 3.49669 15.0161 TIMING: 2529600 CPU: 7546.98, 0.00295739/step Wall: 7546.98, 0.00295739/step, 2.02943 hours remaining, 207.007812 MB of memory in use. ENERGY: 2529600 747.8165 2067.1632 1954.5960 136.8547 -205649.1101 17492.1966 0.0000 0.0000 34356.9708 -148893.5124 300.0480 -183250.4832 -148799.9580 300.2832 -137.0695 -108.0080 558052.8502 -6.6509 -6.6265 PRESSURE: 2529800 -178.501 -54.8528 -2.27496 -54.8527 -84.8343 -86.228 -2.27505 -86.2288 -100.462 GPRESSURE: 2529800 -97.3263 -0.486728 -2.33888 -81.386 -128.848 -123.158 6.42097 -58.3964 -43.5969 PRESSAVG: 2529800 -19.6493 36.9473 53.4437 36.9472 -15.6559 -7.86094 53.4437 -7.86088 30.2873 GPRESSAVG: 2529800 -18.6248 38.9437 56.9256 36.1584 -15.8986 -9.95541 50.7041 -6.99109 29.3633 TIMING: 2529800 CPU: 7547.58, 0.00300083/step Wall: 7547.58, 0.00300083/step, 2.05907 hours remaining, 207.007812 MB of memory in use. ENERGY: 2529800 753.1916 2106.9770 1910.9425 112.4078 -205796.4824 17520.1270 0.0000 0.0000 34369.7587 -149023.0779 300.1597 -183392.8365 -148919.7869 300.3084 -121.2655 -89.9238 556788.8241 -1.6726 -1.7200 PRESSURE: 2530000 128.567 -52.5423 -138.048 -52.5424 -170.858 -195.953 -138.048 -195.955 -146.216 GPRESSURE: 2530000 165.698 -95.4323 -136.215 -82.0941 -143.126 -193.475 -167.915 -105.109 -108.301 PRESSAVG: 2530000 11.1059 24.3145 -18.5799 24.3144 -37.7443 9.34194 -18.5798 9.34192 35.6435 GPRESSAVG: 2530000 10.5579 23.0708 -20.6167 24.9393 -36.9945 9.36965 -16.6454 11.7697 35.7663 TIMING: 2530000 CPU: 7548.18, 0.00300156/step Wall: 7548.18, 0.00300156/step, 2.0594 hours remaining, 207.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2530000 732.4918 2043.1150 1938.2313 109.7462 -205817.8275 17614.6093 0.0000 0.0000 34250.3540 -149129.2801 299.1169 -183379.6340 -149032.0712 300.1179 -62.8359 -28.5764 556897.2209 3.0017 3.1099 PRESSURE: 2530200 -78.3124 -75.285 16.8122 -75.2854 -89.4177 -140.727 16.8128 -140.728 101.093 GPRESSURE: 2530200 -7.61498 -33.362 -7.72303 -141.045 -76.3238 -96.861 9.67388 -136.288 117.316 PRESSAVG: 2530200 -1.36639 8.54566 -38.756 8.54566 -24.2836 -46.3346 -38.756 -46.3346 66.6603 GPRESSAVG: 2530200 -0.862733 9.48994 -37.6491 7.56955 -25.7527 -45.2376 -40.4988 -48.536 67.4614 TIMING: 2530200 CPU: 7548.77, 0.0029443/step Wall: 7548.77, 0.0029443/step, 2.01996 hours remaining, 207.007812 MB of memory in use. ENERGY: 2530200 708.2782 2058.2630 1941.8583 122.9235 -206090.3238 17846.8935 0.0000 0.0000 34137.1060 -149275.0013 298.1278 -183412.1073 -149178.2112 299.1309 -22.2125 11.1258 556657.5611 13.6701 13.6153 PRESSURE: 2530400 29.8497 -73.3979 114.619 -73.3985 137.162 18.1469 114.618 18.147 -12.6008 GPRESSURE: 2530400 45.7666 -89.7935 252.523 -76.5855 171.54 -26.602 59.1774 80.2289 31.6007 PRESSAVG: 2530400 43.5697 -8.05892 -5.96539 -8.05892 -9.73483 -51.9827 -5.96534 -51.9826 16.8654 GPRESSAVG: 2530400 43.062 -5.25492 -4.8139 -9.34002 -8.5487 -51.2684 -6.25013 -50.8769 16.1 TIMING: 2530400 CPU: 7549.37, 0.00296579/step Wall: 7549.37, 0.00296579/step, 2.03453 hours remaining, 207.007812 MB of memory in use. ENERGY: 2530400 737.0608 2096.6265 1941.9641 100.0215 -206624.7592 18051.3876 0.0000 0.0000 34381.0000 -149316.6987 300.2578 -183697.6987 -149219.5748 298.9201 51.4704 82.9690 556713.0394 16.9001 16.8711 PRESSURE: 2530600 -26.3922 -85.3996 99.4626 -85.3995 -68.7272 76.5194 99.4626 76.5197 56.7493 GPRESSURE: 2530600 12.7686 -136.163 58.8868 -35.2072 31.8287 58.0245 147.399 118.954 46.8444 PRESSAVG: 2530600 18.0348 45.3259 -18.0699 45.3259 10.2917 -56.5406 -18.0698 -56.5406 -42.7147 GPRESSAVG: 2530600 18.4941 40.2741 -19.4767 48.9526 10.0705 -58.1285 -17.3846 -57.8957 -43.0623 TIMING: 2530600 CPU: 7549.96, 0.00296192/step Wall: 7549.96, 0.00296192/step, 2.03171 hours remaining, 207.007812 MB of memory in use. ENERGY: 2530600 766.0793 2072.5145 1901.2003 105.0100 -206574.7679 18098.9319 0.0000 0.0000 34295.6560 -149335.3759 299.5125 -183631.0319 -149238.8159 298.3634 -12.7900 30.4805 557329.9732 -4.7961 -4.8325 PRESSURE: 2530800 45.3767 -13.9057 -111.432 -13.9056 -57.9774 -15.0313 -111.431 -15.0326 44.6003 GPRESSURE: 2530800 80.6332 -46.1643 -44.3502 -45.6222 -47.6331 -26.9835 -128.862 21.532 99.5832 PRESSAVG: 2530800 -24.2313 -18.2229 15.3509 -18.223 -8.81631 -23.0202 15.3507 -23.0201 12.6895 GPRESSAVG: 2530800 -24.5669 -15.5226 15.1404 -19.9728 -9.44037 -25.3272 15.2807 -20.447 13.6505 TIMING: 2530800 CPU: 7550.55, 0.00294277/step Wall: 7550.55, 0.00294277/step, 2.01841 hours remaining, 207.007812 MB of memory in use. ENERGY: 2530800 736.6247 2079.7403 1922.5755 117.5572 -206121.8158 17742.6470 0.0000 0.0000 34302.1054 -149220.5657 299.5688 -183522.6711 -149125.5345 299.5012 10.6665 44.1944 556212.0117 -6.7861 -6.7856 PRESSURE: 2531000 -87.3036 -165.139 -141.029 -165.139 118.248 -64.1297 -141.029 -64.1297 -13.0336 GPRESSURE: 2531000 -24.7746 -251.739 -84.7877 -106.645 112.119 2.27627 -75.8648 -35.8162 15.9851 PRESSAVG: 2531000 -25.0465 -68.2977 8.22059 -68.2977 38.3388 -29.5833 8.22056 -29.5832 5.03245 GPRESSAVG: 2531000 -25.0705 -70.3256 7.4008 -67.321 39.0965 -25.8593 8.8723 -31.3541 4.20009 TIMING: 2531000 CPU: 7551.14, 0.0029658/step Wall: 7551.14, 0.0029658/step, 2.03405 hours remaining, 207.007812 MB of memory in use. ENERGY: 2531000 724.9518 2109.5881 1966.8347 120.1858 -206437.4703 17854.1947 0.0000 0.0000 34282.5747 -149379.1405 299.3983 -183661.7152 -149287.7070 299.4066 5.9704 34.4430 557364.3601 6.1083 6.0754 PRESSURE: 2531200 -241.806 211.566 334.268 211.566 -201.512 -91.6548 334.269 -91.6538 -69.1896 GPRESSURE: 2531200 -231.808 208.173 252.211 173.894 -142.815 -125.489 341.427 -118.434 -41.5934 PRESSAVG: 2531200 1.82005 -3.50133 63.9513 -3.5014 3.65382 48.5304 63.9513 48.5305 23.5719 GPRESSAVG: 2531200 0.895042 -2.02728 63.9809 -4.83363 5.13202 48.438 63.7771 46.8969 23.4185 TIMING: 2531200 CPU: 7551.73, 0.00294428/step Wall: 7551.73, 0.00294428/step, 2.01912 hours remaining, 207.007812 MB of memory in use. ENERGY: 2531200 731.6640 2103.2027 1933.1738 106.4566 -205963.3127 17521.5885 0.0000 0.0000 34112.4058 -149454.8213 297.9121 -183567.2270 -149365.2980 299.3773 -170.8357 -138.7388 556688.2527 9.6819 9.8152 PRESSURE: 2531400 -236.993 83.4674 -99.7383 83.4681 258.312 59.0635 -99.7389 59.0606 83.1693 GPRESSURE: 2531400 -127.613 98.5891 -83.1229 12.1933 212.678 82.1804 -69.1265 119.127 122.102 PRESSAVG: 2531400 -14.0635 -10.9775 28.6099 -10.9775 12.0825 25.2308 28.6098 25.2308 -4.96136 GPRESSAVG: 2531400 -13.4284 -11.1679 28.7017 -8.41827 10.5904 25.649 29.8089 26.0762 -4.58748 TIMING: 2531400 CPU: 7552.32, 0.00295255/step Wall: 7552.32, 0.00295255/step, 2.02463 hours remaining, 207.007812 MB of memory in use. ENERGY: 2531400 729.0089 2065.5240 1914.4962 100.6758 -206234.8853 17758.3592 0.0000 0.0000 34246.8350 -149419.9863 299.0861 -183666.8213 -149321.4452 298.3504 34.8291 69.0555 554907.6569 -2.3141 -2.4752 PRESSURE: 2531600 154.555 130.696 -148.203 130.695 79.515 45.8386 -148.203 45.8394 208.485 GPRESSURE: 2531600 174.879 73.7789 -150.696 164.673 152.672 -5.5143 -148.84 198.264 215.724 PRESSAVG: 2531600 -23.5642 19.0074 -37.5968 19.0074 22.8207 39.2927 -37.5968 39.2927 25.6678 GPRESSAVG: 2531600 -23.7354 18.879 -37.7257 16.4063 23.285 37.1971 -37.6407 41.1174 25.2351 TIMING: 2531600 CPU: 7552.91, 0.00294649/step Wall: 7552.91, 0.00294649/step, 2.02031 hours remaining, 207.007812 MB of memory in use. ENERGY: 2531600 717.9157 2055.6474 1911.3681 101.0398 -206293.2417 17943.0449 0.0000 0.0000 34077.1986 -149487.0271 297.6047 -183564.2258 -149394.6548 298.3768 147.5183 181.0919 556473.2684 8.3081 8.2616 PRESSURE: 2531800 -267.779 -48.2293 4.32999 -48.23 -284.388 68.6511 4.33028 68.6509 -41.0036 GPRESSURE: 2531800 -216.543 -42.3246 59.7186 -45.6972 -233.471 -32.6304 -32.4797 147.718 -61.6961 PRESSAVG: 2531800 51.434 16.8337 -37.5409 16.8338 -45.076 -26.2373 -37.541 -26.2373 -8.23482 GPRESSAVG: 2531800 51.8916 17.395 -37.2036 17.9909 -44.9857 -24.5469 -38.6067 -27.2012 -7.97402 TIMING: 2531800 CPU: 7553.5, 0.00293481/step Wall: 7553.5, 0.00293481/step, 2.01214 hours remaining, 207.007812 MB of memory in use. ENERGY: 2531800 731.7612 2135.2431 1905.6907 122.7775 -206027.7031 17594.5491 0.0000 0.0000 33979.4190 -149558.2627 296.7507 -183537.6816 -149462.6721 298.1110 -197.7235 -170.5701 557465.4547 -0.6256 -0.3560 PRESSURE: 2532000 -16.4707 -4.45298 132.99 -4.45289 10.797 18.3567 132.991 18.3573 -74.2517 GPRESSURE: 2532000 20.0017 8.30978 151.432 -15.3959 87.1319 25.9712 106.773 103.536 -76.8093 PRESSAVG: 2532000 -22.3349 -20.4515 25.3158 -20.4515 -2.29126 28.6072 25.3159 28.6074 15.854 GPRESSAVG: 2532000 -21.4333 -21.3333 25.802 -19.7166 -2.61138 30.1378 25.7593 27.7967 15.6637 TIMING: 2532000 CPU: 7554.09, 0.00294526/step Wall: 7554.09, 0.00294526/step, 2.01914 hours remaining, 207.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2532000 768.3360 2046.5885 1936.6469 112.8554 -206406.7815 17839.6785 0.0000 0.0000 34099.9664 -149602.7098 297.8035 -183702.6762 -149506.2787 297.7878 -26.6418 10.1081 556421.7073 -2.9241 -2.7937 PRESSURE: 2532200 111.598 246.238 -9.13271 246.238 -51.9022 5.85949 -9.13392 5.86045 -181.876 GPRESSURE: 2532200 142.237 252.574 -90.4419 216.921 -83.1018 -49.7022 73.4267 37.8819 -97.4887 PRESSAVG: 2532200 -2.36575 -11.7446 -6.67907 -11.7446 69.6546 -2.00241 -6.67911 -2.0024 -48.4851 GPRESSAVG: 2532200 -4.09728 -12.3077 -6.74728 -12.7339 69.1345 -4.21484 -5.75609 -0.360046 -46.9126 TIMING: 2532200 CPU: 7554.67, 0.00292003/step Wall: 7554.67, 0.00292003/step, 2.00168 hours remaining, 207.007812 MB of memory in use. ENERGY: 2532200 754.2724 2040.6694 1936.9997 119.6267 -206522.7226 17878.1472 0.0000 0.0000 34189.7838 -149603.2235 298.5879 -183793.0072 -149508.4510 297.4095 -40.7268 -12.7845 558073.7615 6.2679 6.0416 LDB: ============= START OF LOAD BALANCING ============== 7558.21 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7558.21 LDB: =============== DONE WITH MIGRATION ================ 7558.22 LDB: ============= START OF LOAD BALANCING ============== 7558.51 LDB: Largest compute 4773 load 0.027682 is 23.4% of average load 0.118299 LDB: Average compute 0.001731 is 1.5% of average load 0.118299 LDB: TIME 7558.51 LOAD: AVG 0.118299 MAX 0.206268 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.496 MB LDB: TIME 7558.51 LOAD: AVG 0.118299 MAX 0.206268 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.496 MB LDB: TIME 7558.51 LOAD: AVG 0.118299 MAX 0.206268 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.496 MB LDB: ============== END OF LOAD BALANCING =============== 7558.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7558.52 PRESSURE: 2532400 58.2529 -67.0125 -26.5218 -67.0115 -233.277 -36.9358 -26.522 -36.9358 -134.685 GPRESSURE: 2532400 80.6738 -95.0965 4.00451 -3.1206 -217.381 -131.38 -151.244 34.677 -70.4403 PRESSAVG: 2532400 42.2952 -26.8256 -49.1601 -26.8256 -8.53046 58.1892 -49.16 58.1893 -7.30598 GPRESSAVG: 2532400 43.573 -24.7136 -50.1785 -26.9406 -8.15714 57.3654 -48.8879 55.8687 -9.12991 TIMING: 2532400 CPU: 7555.27, 0.00300047/step Wall: 7555.27, 0.00300047/step, 2.05666 hours remaining, 208.328125 MB of memory in use. ENERGY: 2532400 745.2181 2088.9560 1917.8325 105.5299 -206330.9207 17764.7334 0.0000 0.0000 34005.0617 -149703.5892 296.9747 -183708.6509 -149609.4396 297.9595 -103.2364 -69.0492 558609.0545 8.8196 8.7620 PRESSURE: 2532600 27.913 66.192 20.0691 66.1914 343.886 -78.7769 20.0688 -78.7783 337.319 GPRESSURE: 2532600 121.547 84.0542 74.2458 35.8971 358.683 -84.6113 58.1974 -11.0958 339.415 PRESSAVG: 2532600 -14.1866 34.819 -45.7466 34.819 12.8264 21.4633 -45.7466 21.4633 1.78793 GPRESSAVG: 2532600 -13.817 33.1235 -45.3194 35.394 12.6583 21.6287 -45.7672 22.6575 2.82085 TIMING: 2532600 CPU: 7555.86, 0.0029628/step Wall: 7555.86, 0.0029628/step, 2.03067 hours remaining, 208.328125 MB of memory in use. ENERGY: 2532600 725.9490 2070.6576 1898.8055 116.7893 -206694.0401 18100.1497 0.0000 0.0000 34130.5892 -149651.0999 298.0709 -183781.6891 -149554.5137 298.1202 236.3728 273.2150 555965.1920 0.1426 0.5540 PRESSURE: 2532800 312.408 80.8324 84.8781 80.8337 252.532 -40.2706 84.879 -40.2711 -12.1675 GPRESSURE: 2532800 300.306 144.053 88.5603 93.5538 348.654 -32.161 21.7699 -50.0667 4.99275 PRESSAVG: 2532800 31.0119 17.6056 43.0484 17.6055 11.2159 32.1723 43.0485 32.1722 -20.4831 GPRESSAVG: 2532800 30.0775 18.6454 43.4723 16.0528 11.8855 33.8543 42.1832 31.1195 -19.8659 TIMING: 2532800 CPU: 7556.46, 0.00297823/step Wall: 7556.46, 0.00297823/step, 2.04108 hours remaining, 208.328125 MB of memory in use. ENERGY: 2532800 729.1290 1987.6663 1945.6258 103.8452 -206722.2115 18078.2471 0.0000 0.0000 34223.8215 -149653.8764 298.8851 -183877.6979 -149553.5694 297.8758 184.2576 217.9841 556868.1866 7.2482 7.3657 PRESSURE: 2533000 260.961 26.0455 109.94 26.0456 79.073 102.004 109.941 102.004 264.279 GPRESSURE: 2533000 268.425 85.1273 100.38 -90.5542 118.18 62.8269 85.7149 61.1332 329.122 PRESSAVG: 2533000 67.7143 62.9742 25.5532 62.9742 10.3471 7.01591 25.5532 7.01592 -39.3995 GPRESSAVG: 2533000 68.2253 63.1166 26.1054 63.7032 10.4893 6.08747 27.1487 7.86772 -39.7675 TIMING: 2533000 CPU: 7557.05, 0.00297376/step Wall: 7557.05, 0.00297376/step, 2.03785 hours remaining, 208.328125 MB of memory in use. ENERGY: 2533000 717.8223 2028.6364 1893.0856 113.4727 -206902.6817 18199.2305 0.0000 0.0000 34345.7393 -149604.6949 299.9499 -183950.4342 -149506.8974 298.5995 201.4379 238.5757 555569.8938 12.8873 12.9823 PRESSURE: 2533200 -126.944 76.1575 -290.634 76.1582 99.6666 -91.0186 -290.635 -91.0175 -228.133 GPRESSURE: 2533200 -136.051 83.2564 -288.75 61.4861 112.065 -61.386 -352.701 -75.877 -139.232 PRESSAVG: 2533200 -42.0241 -6.52667 -8.99383 -6.52661 17.4885 -10.3611 -8.99391 -10.3611 -3.34838 GPRESSAVG: 2533200 -42.6545 -7.08297 -9.09058 -5.71861 17.5222 -9.4874 -11.8125 -10.2105 -3.16026 TIMING: 2533200 CPU: 7557.64, 0.00295478/step Wall: 7557.64, 0.00295478/step, 2.02468 hours remaining, 208.328125 MB of memory in use. ENERGY: 2533200 736.8410 2092.8409 1924.2881 96.9664 -206352.3876 17754.5656 0.0000 0.0000 34197.1807 -149549.7049 298.6525 -183746.8857 -149445.6951 298.9515 -85.1365 -54.4063 555826.7121 -9.2947 -9.4309 PRESSURE: 2533400 139.193 -8.98676 -149.696 -8.98792 -59.3573 -98.4106 -149.696 -98.4117 -113.586 GPRESSURE: 2533400 131.863 -2.61464 -152.898 -18.8205 -34.4008 -198.376 -125.579 -48.4233 -38.9148 PRESSAVG: 2533400 6.30185 5.56032 -43.1231 5.56035 14.4797 12.3517 -43.1232 12.3516 11.8644 GPRESSAVG: 2533400 6.73774 5.50415 -44.5956 5.26528 13.6992 12.5751 -41.9137 12.6606 12.0127 TIMING: 2533400 CPU: 7558.23, 0.00294021/step Wall: 7558.23, 0.00294021/step, 2.01453 hours remaining, 208.328125 MB of memory in use. ENERGY: 2533400 751.9917 2092.1824 1935.3122 118.3738 -206603.8498 17810.9828 0.0000 0.0000 34298.6218 -149596.3851 299.5384 -183895.0069 -149495.4854 298.5269 -11.2501 19.5158 556177.0302 10.8820 10.8166 PRESSURE: 2533600 197.978 -167.659 49.3255 -167.659 16.077 -100.502 49.3265 -100.501 -143.451 GPRESSURE: 2533600 252.004 -146.274 77.8515 -131.926 52.1874 -174.483 17.1583 -154.732 -133.728 PRESSAVG: 2533600 123.671 34.2015 38.7623 34.2015 -105.415 -29.5396 38.7623 -29.5396 -29.5605 GPRESSAVG: 2533600 123.804 34.4947 38.0301 33.3306 -104.389 -31.193 40.1721 -29.3794 -29.8872 TIMING: 2533600 CPU: 7558.82, 0.00294902/step Wall: 7558.82, 0.00294902/step, 2.02041 hours remaining, 208.328125 MB of memory in use. ENERGY: 2533600 792.4345 2031.2929 1955.8224 98.4003 -206750.1700 17948.1873 0.0000 0.0000 34287.8943 -149636.1384 299.4447 -183924.0327 -149529.9172 298.6989 23.5347 56.8211 556930.3233 -3.7683 -3.4906 PRESSURE: 2533800 -313.115 -130.132 38.4466 -130.132 -99.8468 -225.044 38.4451 -225.045 -210.588 GPRESSURE: 2533800 -320.274 -150.278 35.5457 -165.783 -50.0464 -223.19 89.086 -152.658 -150.731 PRESSAVG: 2533800 78.1314 -1.43492 43.2783 -1.43496 -44.9825 -72.9953 43.2783 -72.9953 13.2809 GPRESSAVG: 2533800 78.0092 -2.68811 42.5012 1.67136 -45.7188 -73.2359 44.0494 -73.376 13.6311 TIMING: 2533800 CPU: 7559.41, 0.00294067/step Wall: 7559.41, 0.00294067/step, 2.01452 hours remaining, 208.328125 MB of memory in use. ENERGY: 2533800 775.9948 2096.9565 1923.7673 114.1172 -206069.0887 17527.1365 0.0000 0.0000 34045.2494 -149585.8669 297.3256 -183631.1163 -149493.9984 298.3598 -207.8499 -173.6841 557454.5333 15.4766 15.3072 PRESSURE: 2534000 -174.141 61.9763 101.949 61.9767 204.762 -65.3439 101.949 -65.3452 22.0263 GPRESSURE: 2534000 -142.642 72.7896 109.917 69.4764 233.716 -66.5916 69.7205 -90.9801 57.3384 PRESSAVG: 2534000 -42.142 -4.29178 56.5636 -4.29174 38.9162 -40.2933 56.5636 -40.2933 3.20685 GPRESSAVG: 2534000 -41.5102 -4.04116 59.7541 -5.05276 39.1391 -39.7997 54.7854 -39.7636 2.50138 TIMING: 2534000 CPU: 7560, 0.00295242/step Wall: 7560, 0.00295242/step, 2.02241 hours remaining, 208.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2534000 767.3807 2098.2862 1935.0406 107.8360 -206324.7528 17848.3608 0.0000 0.0000 34200.6826 -149367.1660 298.6831 -183567.8485 -149271.3155 298.5103 17.5490 49.4707 557948.8276 -0.0063 0.0435 PRESSURE: 2534200 86.6114 -167.779 -125.703 -167.78 -98.7282 137.423 -125.703 137.423 -37.2281 GPRESSURE: 2534200 81.8483 -145.414 -153.862 -237.288 -28.7933 132.958 -99.5094 105.969 2.46579 PRESSAVG: 2534200 59.3987 8.97692 42.9143 8.97692 -26.4972 6.60516 42.9143 6.60532 -25.4849 GPRESSAVG: 2534200 59.48 8.4997 39.4752 8.69358 -26.1522 8.00867 45.5237 4.99586 -25.463 TIMING: 2534200 CPU: 7560.59, 0.00295542/step Wall: 7560.59, 0.00295542/step, 2.0243 hours remaining, 208.328125 MB of memory in use. ENERGY: 2534200 740.9631 2130.4541 1930.6921 114.8989 -206324.9053 17752.5232 0.0000 0.0000 34354.0347 -149301.3392 300.0223 -183655.3739 -149199.1334 299.5110 -16.4483 18.5069 557638.8919 2.4722 2.6216 PRESSURE: 2534400 44.7522 35.4193 -94.906 35.4199 92.4424 44.8482 -94.9066 44.8483 -26.7306 GPRESSURE: 2534400 49.2513 47.6894 -123.494 14.7693 90.273 66.7462 -133.45 0.0236943 69.5972 PRESSAVG: 2534400 4.88211 -21.2357 -30.8975 -21.2356 -19.4082 45.7016 -30.8975 45.7015 17.3218 GPRESSAVG: 2534400 4.12695 -22.8498 -28.9221 -19.306 -18.7753 45.6124 -33.6183 44.9673 17.4812 TIMING: 2534400 CPU: 7561.18, 0.00294488/step Wall: 7561.18, 0.00294488/step, 2.01691 hours remaining, 208.328125 MB of memory in use. ENERGY: 2534400 726.4300 2059.1596 1942.4942 101.4119 -206340.9069 17686.3362 0.0000 0.0000 34552.7949 -149272.2801 301.7582 -183825.0750 -149171.3689 299.0902 36.8213 69.7072 556393.8867 0.9319 0.9443 PRESSURE: 2534600 65.3767 93.6102 -13.1508 93.6097 -165.593 -276.84 -13.1509 -276.841 -105.949 GPRESSURE: 2534600 77.1369 100.329 -26.0478 87.9702 -161.432 -229.005 -58.812 -223.706 -44.3793 PRESSAVG: 2534600 13.5641 34.8852 -14.9477 34.8852 -18.3197 -34.3216 -14.9477 -34.3215 24.4453 GPRESSAVG: 2534600 13.678 38.0073 -15.1936 32.5308 -19.6912 -35.4205 -12.7705 -31.7092 25.4478 TIMING: 2534600 CPU: 7561.77, 0.00294483/step Wall: 7561.77, 0.00294483/step, 2.01672 hours remaining, 208.328125 MB of memory in use. ENERGY: 2534600 762.6683 2085.0321 1936.1922 104.9393 -206421.5354 17856.2803 0.0000 0.0000 34376.7724 -149299.6507 300.2209 -183676.4232 -149202.9138 299.1587 -68.7217 -42.8914 557286.7404 6.5633 6.4782 PRESSURE: 2534800 -86.1024 7.54122 -0.390673 7.53985 145.362 169.742 -0.389647 169.742 29.7497 GPRESSURE: 2534800 -110.114 -13.4872 130.132 21.32 164.974 152.311 -90.9618 161.291 119.064 PRESSAVG: 2534800 -67.584 17.8512 -14.4974 17.8511 -24.7216 -10.8153 -14.4974 -10.8153 56.2806 GPRESSAVG: 2534800 -67.7545 17.423 -15.6996 17.6429 -24.6165 -11.9118 -13.5905 -10.3991 55.8511 TIMING: 2534800 CPU: 7562.36, 0.00296478/step Wall: 7562.36, 0.00296478/step, 2.03022 hours remaining, 208.328125 MB of memory in use. ENERGY: 2534800 780.0952 2138.0789 1922.0371 125.6701 -206576.3195 18066.7580 0.0000 0.0000 34193.5715 -149350.1087 298.6210 -183543.6802 -149252.2825 299.4071 29.6697 57.9748 556753.2940 -12.0083 -12.1733 PRESSURE: 2535000 21.1749 41.8162 -92.0682 41.8169 176.463 35.8503 -92.0679 35.8509 -29.5747 GPRESSURE: 2535000 137.698 21.5206 -133.973 -34.296 159.766 52.211 -102.171 84.1733 -36.9536 PRESSAVG: 2535000 24.687 8.74245 -47.0921 8.74235 -75.9899 13.4068 -47.0922 13.4067 63.3239 GPRESSAVG: 2535000 25.5265 9.71473 -46.7219 7.6715 -76.8958 14.2237 -47.8313 11.2475 62.8063 TIMING: 2535000 CPU: 7562.96, 0.0030028/step Wall: 7562.96, 0.0030028/step, 2.05608 hours remaining, 208.328125 MB of memory in use. ENERGY: 2535000 751.0201 2101.7112 1934.0656 120.2014 -206564.3062 18093.7785 0.0000 0.0000 34310.9651 -149252.5644 299.6462 -183563.5295 -149158.8373 299.3825 56.0210 86.8369 558117.3860 4.0070 3.8123 PRESSURE: 2535200 -311.391 143.796 121.676 143.797 -28.2841 -8.09401 121.675 -8.09356 319.569 GPRESSURE: 2535200 -265.402 84.85 41.5902 115.181 14.7596 -48.0108 113.565 16.9372 325.704 PRESSAVG: 2535200 -40.2622 -34.4061 -15.0138 -34.4062 10.2093 19.4138 -15.0138 19.4137 29.1366 GPRESSAVG: 2535200 -40.1496 -36.2129 -13.3428 -33.3722 10.2515 20.4024 -16.2717 20.5895 29.2058 TIMING: 2535200 CPU: 7563.56, 0.00298055/step Wall: 7563.56, 0.00298055/step, 2.04068 hours remaining, 208.328125 MB of memory in use. ENERGY: 2535200 714.5263 2131.7370 1965.9303 112.2591 -206202.6967 17762.0031 0.0000 0.0000 34261.8559 -149254.3851 299.2173 -183516.2409 -149152.5666 299.3388 -6.7020 25.0205 558341.5712 -0.3054 -0.2308 PRESSURE: 2535400 -311.769 57.8017 47.7489 57.8019 79.3407 148.507 47.749 148.507 -128.6 GPRESSURE: 2535400 -292.755 48.4667 51.7753 97.7909 65.3046 147.652 64.2621 126.856 -23.0209 PRESSAVG: 2535400 -70.467 5.34836 -58.9787 5.3484 7.96678 -1.0385 -58.9787 -1.03854 31.0655 GPRESSAVG: 2535400 -71.5335 6.54311 -59.9582 4.70312 9.26745 0.175725 -57.6313 -2.79316 30.8025 TIMING: 2535400 CPU: 7564.15, 0.00297317/step Wall: 7564.15, 0.00297317/step, 2.03547 hours remaining, 208.328125 MB of memory in use. ENERGY: 2535400 753.6498 2088.6361 1928.3581 105.5306 -206043.4254 17620.8484 0.0000 0.0000 34408.9403 -149137.4620 300.5018 -183546.4023 -149036.4879 299.9552 -120.3427 -83.4903 557515.6538 -10.4782 -10.4879 PRESSURE: 2535600 -127.468 88.7848 21.8672 88.7843 -148.542 122.132 21.8668 122.133 52.9799 GPRESSURE: 2535600 -116.363 53.1684 -42.0952 63.2898 -74.5481 121.935 50.2864 127.118 71.7909 PRESSAVG: 2535600 31.1999 -20.8704 10.648 -20.8703 2.50943 30.8389 10.6481 30.8388 -0.479805 GPRESSAVG: 2535600 31.5703 -21.0994 10.8861 -20.8624 1.61855 30.5491 9.56919 30.0083 -0.544358 TIMING: 2535600 CPU: 7564.75, 0.00297362/step Wall: 7564.75, 0.00297362/step, 2.03561 hours remaining, 208.328125 MB of memory in use. ENERGY: 2535600 768.4542 2139.9907 1922.0879 101.0381 -206143.9593 17807.5837 0.0000 0.0000 34268.9522 -149135.8525 299.2793 -183404.8047 -149043.5036 300.0209 -74.3431 -39.7069 558033.8179 11.0765 10.8815 PRESSURE: 2535800 -133.713 -8.59332 14.4767 -8.59314 -311.778 119.514 14.476 119.514 -304.806 GPRESSURE: 2535800 -97.0728 28.3524 38.9518 -43.6913 -291.759 196.369 24.305 116.777 -265.537 PRESSAVG: 2535800 2.68285 -42.8118 -3.8208 -42.8119 -10.8001 4.14007 -3.82069 4.14015 -39.7194 GPRESSAVG: 2535800 1.51854 -43.7685 -4.65576 -42.2658 -10.1686 2.82724 -1.23322 6.20026 -39.154 TIMING: 2535800 CPU: 7565.35, 0.00298983/step Wall: 7565.35, 0.00298983/step, 2.04654 hours remaining, 208.328125 MB of memory in use. ENERGY: 2535800 762.5007 2117.7460 1952.9592 126.1428 -205492.5244 17240.2469 0.0000 0.0000 34178.8544 -149114.0743 298.4924 -183292.9287 -149027.1211 299.5657 -250.0994 -218.1228 557789.8809 -15.9456 -15.9347 PRESSURE: 2536000 -268.692 -30.6452 68.2202 -30.6469 127.459 117.983 68.22 117.984 -240.844 GPRESSURE: 2536000 -171.117 43.9504 57.6211 -96.3391 150.685 84.5806 72.8916 98.5412 -254.514 PRESSAVG: 2536000 -23.744 -22.7613 -6.18472 -22.7613 -65.2745 37.3748 -6.18468 37.3749 60.9442 GPRESSAVG: 2536000 -22.6822 -22.3442 -5.27278 -22.8721 -66.4954 36.5103 -7.92334 34.6941 60.5913 TIMING: 2536000 CPU: 7565.94, 0.00296637/step Wall: 7565.94, 0.00296637/step, 2.03032 hours remaining, 208.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2536000 764.6400 2071.6959 1901.9541 119.3959 -205931.7786 17658.8477 0.0000 0.0000 34213.9180 -149201.3270 298.7987 -183415.2450 -149104.1951 298.7861 -127.3587 -91.6486 558421.9205 -9.3581 -9.5288 PRESSURE: 2536200 255.941 -75.2332 -0.438642 -75.2339 -55.2587 38.9587 -0.439384 38.9596 -262.476 GPRESSURE: 2536200 249.506 -85.0878 -90.162 -134.664 23.6147 59.9031 -115.771 21.9659 -234.478 PRESSAVG: 2536200 -24.7028 54.8089 -15.624 54.8091 42.6244 -14.1266 -15.624 -14.1265 -28.4437 GPRESSAVG: 2536200 -24.9261 54.8307 -16.5475 54.5526 43.753 -12.2204 -16.0652 -12.9467 -28.785 TIMING: 2536200 CPU: 7566.53, 0.00296651/step Wall: 7566.53, 0.00296651/step, 2.03025 hours remaining, 208.328125 MB of memory in use. ENERGY: 2536200 756.4444 2125.9533 1927.0158 112.2540 -206135.9171 17816.2051 0.0000 0.0000 34349.6762 -149048.3682 299.9843 -183398.0444 -148951.8593 299.3310 -20.5977 12.8808 558915.2214 -3.5074 -3.3194 LDB: ============= START OF LOAD BALANCING ============== 7570.08 LDB: ============== END OF LOAD BALANCING =============== 7570.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7570.08 LDB: ============= START OF LOAD BALANCING ============== 7570.38 LDB: Largest compute 4773 load 0.028983 is 24.5% of average load 0.118211 LDB: Average compute 0.001730 is 1.5% of average load 0.118211 LDB: TIME 7570.38 LOAD: AVG 0.118211 MAX 0.201434 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.754 MB LDB: TIME 7570.38 LOAD: AVG 0.118211 MAX 0.201434 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.754 MB LDB: TIME 7570.38 LOAD: AVG 0.118211 MAX 0.201434 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.754 MB LDB: ============== END OF LOAD BALANCING =============== 7570.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7570.39 PRESSURE: 2536400 -23.4459 26.7983 35.6945 26.7986 29.9437 156.581 35.6944 156.58 265.339 GPRESSURE: 2536400 6.19133 40.458 104.193 50.1348 132.637 173.055 78.8434 155.215 238.256 PRESSAVG: 2536400 12.3102 -57.1359 -4.51928 -57.136 -4.54398 60.7453 -4.51926 60.7453 -19.7986 GPRESSAVG: 2536400 12.335 -54.3007 -2.82 -58.7771 -6.10189 58.8657 -3.47457 61.0945 -19.1609 TIMING: 2536400 CPU: 7567.14, 0.00302104/step Wall: 7567.14, 0.00302104/step, 2.0674 hours remaining, 205.824219 MB of memory in use. ENERGY: 2536400 730.9172 2126.7983 1942.2265 117.6730 -206407.8130 18024.7699 0.0000 0.0000 34420.7573 -149044.6708 300.6050 -183465.4280 -148953.4297 299.4624 90.6123 125.6947 557007.5453 -4.0108 -4.3093 PRESSURE: 2536600 50.0163 -133.545 84.3733 -133.545 -84.6225 62.4653 84.3736 62.4654 85.8021 GPRESSURE: 2536600 9.79461 -104.419 51.3909 -151.699 -43.006 27.8698 1.25494 46.1665 184.062 PRESSAVG: 2536600 -53.4358 -24.1632 -28.2934 -24.1633 24.6107 3.34467 -28.2934 3.34461 -3.77709 GPRESSAVG: 2536600 -53.1431 -24.8176 -28.1654 -23.4755 25.1193 3.47555 -29.2812 2.35984 -4.28161 TIMING: 2536600 CPU: 7567.73, 0.00294932/step Wall: 7567.73, 0.00294932/step, 2.01815 hours remaining, 205.824219 MB of memory in use. ENERGY: 2536600 749.0732 2138.9434 1945.7788 105.9012 -206313.9597 17889.1568 0.0000 0.0000 34364.6283 -149120.4780 300.1148 -183485.1063 -149028.2980 299.7344 17.0653 50.2834 557632.1076 -10.8674 -10.7685 PRESSURE: 2536800 -35.6861 177.695 7.25355 177.693 -183.809 129.091 7.2548 129.091 34.3779 GPRESSURE: 2536800 3.38767 113.586 28.968 158.586 -146.523 196.803 23.8082 149.664 56.8218 PRESSAVG: 2536800 -49.9887 -52.2552 2.6165 -52.2552 33.2198 -13.0162 2.6166 -13.0163 36.775 GPRESSAVG: 2536800 -50.3942 -53.0131 0.790626 -51.8893 32.9617 -13.0539 3.0409 -13.2901 37.4109 TIMING: 2536800 CPU: 7568.31, 0.00293017/step Wall: 7568.31, 0.00293017/step, 2.00489 hours remaining, 205.824219 MB of memory in use. ENERGY: 2536800 766.7784 2079.9620 1953.6164 102.7164 -206642.6594 18140.2026 0.0000 0.0000 34395.1879 -149204.1956 300.3817 -183599.3835 -149115.6307 299.9086 -61.7057 -28.7711 558087.3008 6.6687 6.6595 PRESSURE: 2537000 -195.566 -162.706 24.8143 -162.707 -55.7688 153.876 24.8147 153.876 -36.669 GPRESSURE: 2537000 -178.886 -174.275 87.5012 -90.5306 20.9796 193.165 -82.5278 113.72 -22.2265 PRESSAVG: 2537000 -27.3933 -41.6829 32.6745 -41.683 42.7482 21.2823 32.6746 21.2824 -7.43986 GPRESSAVG: 2537000 -27.8484 -41.264 35.1735 -40.6496 43.2251 21.7566 31.883 21.651 -7.31962 TIMING: 2537000 CPU: 7568.9, 0.00295413/step Wall: 7568.9, 0.00295413/step, 2.02111 hours remaining, 205.824219 MB of memory in use. ENERGY: 2537000 763.3371 2088.5016 1927.3435 103.0597 -206237.8244 17804.2308 0.0000 0.0000 34104.3761 -149446.9757 297.8420 -183551.3518 -149349.8664 299.6495 -96.0013 -60.0444 558087.9589 2.6383 2.6857 PRESSURE: 2537200 -83.6547 52.4671 -48.8542 52.4661 -256.412 -34.9892 -48.8539 -34.9901 -628.276 GPRESSURE: 2537200 -50.5999 -11.5052 -101.164 47.3843 -216.229 -12.6988 -57.9352 -146.379 -605.224 PRESSAVG: 2537200 -17.6514 -3.91779 7.40246 -3.9178 3.98591 -1.75622 7.40254 -1.75608 11.0517 GPRESSAVG: 2537200 -17.0374 -4.02368 5.97369 -6.25 4.25033 -0.453919 10.0739 -2.40408 10.4227 TIMING: 2537200 CPU: 7569.5, 0.00297354/step Wall: 7569.5, 0.00297354/step, 2.03423 hours remaining, 205.824219 MB of memory in use. ENERGY: 2537200 746.4301 2011.6874 1940.3196 103.7308 -205648.4431 17374.5380 0.0000 0.0000 34215.6110 -149256.1261 298.8134 -183471.7371 -149157.1523 299.2497 -322.7809 -290.6844 559420.5892 -0.8713 -0.7881 PRESSURE: 2537400 386.938 17.5571 -92.5178 17.5576 92.2849 26.2508 -92.5183 26.2497 189.151 GPRESSURE: 2537400 443.135 74.6957 -28.3968 -112.663 163.886 -11.0251 -197.43 152.65 183.58 PRESSAVG: 2537400 20.9092 57.4718 -11.2998 57.4718 35.6057 -4.41935 -11.2997 -4.41937 -83.2611 GPRESSAVG: 2537400 20.5884 59.0675 -11.8516 59.5185 36.3744 -6.17707 -13.9348 -3.9263 -83.5824 TIMING: 2537400 CPU: 7570.1, 0.00299314/step Wall: 7570.1, 0.00299314/step, 2.04747 hours remaining, 205.824219 MB of memory in use. ENERGY: 2537400 742.8165 2046.5470 1937.6745 108.3467 -206350.2856 18023.9365 0.0000 0.0000 34310.9690 -149179.9955 299.6462 -183490.9644 -149091.7852 299.4025 222.7912 263.5338 557120.4286 -8.9154 -8.8732 PRESSURE: 2537600 -98.9425 -31.8234 22.9614 -31.8234 142.754 14.6635 22.9612 14.6645 318.942 GPRESSURE: 2537600 -51.247 -32.2493 2.58448 -50.5 186.665 -87.6017 13.474 63.7834 322.044 PRESSAVG: 2537600 -9.84064 53.622 5.30692 53.6219 36.3635 -5.83604 5.30698 -5.83603 -6.70917 GPRESSAVG: 2537600 -8.01051 50.5684 5.37203 53.5297 34.527 -5.10904 3.72703 -5.1841 -6.88273 TIMING: 2537600 CPU: 7570.69, 0.00297727/step Wall: 7570.69, 0.00297727/step, 2.03645 hours remaining, 205.824219 MB of memory in use. ENERGY: 2537600 736.6507 2073.6260 1958.9472 111.2969 -206685.7893 18062.1648 0.0000 0.0000 34574.7610 -149168.3427 301.9500 -183743.1037 -149072.2581 299.7481 120.9179 152.4873 555851.9218 6.6046 6.5446 PRESSURE: 2537800 -6.39752 26.263 39.0146 26.2628 -2.02098 -134.144 39.0134 -134.143 -102.862 GPRESSURE: 2537800 70.9076 45.3419 61.3892 -35.4068 -49.0483 -231.884 92.4228 -134.559 -33.2286 PRESSAVG: 2537800 70.2735 21.5734 -18.1837 21.5733 -56.4032 -51.804 -18.1836 -51.804 -8.68041 GPRESSAVG: 2537800 69.8786 24.2843 -18.4517 22.2314 -55.636 -53.4687 -16.3531 -52.977 -8.59505 TIMING: 2537800 CPU: 7571.29, 0.002989/step Wall: 7571.29, 0.002989/step, 2.04431 hours remaining, 205.824219 MB of memory in use. ENERGY: 2537800 770.0114 2078.7884 1946.5131 99.3788 -205920.8550 17657.5164 0.0000 0.0000 34201.2711 -149167.3757 298.6882 -183368.6468 -149076.9188 300.0232 -37.0936 -3.7898 556581.0249 1.7300 1.8825 PRESSURE: 2538000 -86.2256 46.1007 164.051 46.1007 -10.9183 -213.431 164.051 -213.432 -102.472 GPRESSURE: 2538000 -37.355 20.8691 201.832 47.8665 -23.9778 -184.12 195.671 -154.893 -51.4352 PRESSAVG: 2538000 35.7641 31.6893 18.2634 31.6892 -29.5109 -32.0567 18.2634 -32.0568 -0.328934 GPRESSAVG: 2538000 36.8908 30.4706 17.5135 31.6987 -29.1274 -29.6209 19.0791 -32.2777 -0.992994 TIMING: 2538000 CPU: 7571.88, 0.00295712/step Wall: 7571.88, 0.00295712/step, 2.02234 hours remaining, 205.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2538000 714.5140 2117.9887 1923.3351 105.3840 -206023.0990 17510.4034 0.0000 0.0000 34320.6800 -149330.7939 299.7310 -183651.4739 -149237.1101 299.0633 -66.5385 -37.5894 557281.1628 1.9748 2.2568 PRESSURE: 2538200 -102.188 9.81215 -25.0881 9.81152 133.208 205.399 -25.089 205.4 -254.716 GPRESSURE: 2538200 -70.3112 -16.6784 86.6039 -18.6249 188.211 161.377 -88.8697 259.068 -252.185 PRESSAVG: 2538200 99.4085 5.66609 53.7464 5.66614 -17.9404 16.1651 53.7464 16.1653 -53.7799 GPRESSAVG: 2538200 97.886 6.68709 53.9552 5.18785 -17.6269 13.5154 54.0524 15.672 -52.8204 TIMING: 2538200 CPU: 7572.48, 0.0029728/step Wall: 7572.48, 0.0029728/step, 2.0329 hours remaining, 205.824219 MB of memory in use. ENERGY: 2538200 724.1687 2040.6231 1886.6436 107.6782 -205953.2020 17634.3137 0.0000 0.0000 34267.0213 -149292.7534 299.2624 -183559.7747 -149192.0596 298.8634 -74.5655 -44.7618 559124.7182 9.2294 9.1463 PRESSURE: 2538400 -131.172 132.06 -67.4021 132.06 106.215 114.421 -67.4004 114.42 172.495 GPRESSURE: 2538400 -123.665 143.58 -81.0916 133.358 155.123 227.332 -75.3295 60.25 215.003 PRESSAVG: 2538400 22.5994 39.8413 13.3266 39.8412 -18.3418 50.3996 13.3267 50.3994 -28.5477 GPRESSAVG: 2538400 22.472 38.5522 13.3799 39.2825 -18.9653 50.169 11.5061 50.8318 -28.2991 TIMING: 2538400 CPU: 7573.08, 0.0030105/step Wall: 7573.08, 0.0030105/step, 2.05851 hours remaining, 205.824219 MB of memory in use. ENERGY: 2538400 744.3774 2057.4742 1942.8111 117.1500 -206382.3708 17977.3707 0.0000 0.0000 34093.6892 -149449.4981 297.7487 -183543.1873 -149358.2962 298.7734 49.1796 82.1537 557818.2688 -8.0967 -8.2641 PRESSURE: 2538600 379.197 -152.026 -56.3203 -152.025 -104.158 34.8402 -56.3206 34.8403 356.983 GPRESSURE: 2538600 378.017 -112.538 108.433 -222.089 -40.3207 -11.7621 -70.0143 41.7189 386.807 PRESSAVG: 2538600 38.6271 19.3387 -10.0004 19.3386 16.0494 10.0093 -10.0005 10.0092 18.8428 GPRESSAVG: 2538600 39.1904 20.0457 -8.9917 20.0404 17.2208 11.3676 -8.98049 9.68285 17.4069 TIMING: 2538600 CPU: 7573.68, 0.00301679/step Wall: 7573.68, 0.00301679/step, 2.06265 hours remaining, 205.824219 MB of memory in use. ENERGY: 2538600 754.1995 2072.6532 1908.9152 123.2463 -206925.1327 18182.3326 0.0000 0.0000 34572.1096 -149311.6763 301.9268 -183883.7859 -149217.3021 298.9317 210.6737 241.5012 556896.4288 24.5065 24.6060 PRESSURE: 2538800 169.637 -75.927 4.93641 -75.9287 -7.09469 52.7486 4.93508 52.7512 295.064 GPRESSURE: 2538800 185.305 -68.3197 56.6109 -107.991 14.3988 43.429 -0.656592 76.7098 344.86 PRESSAVG: 2538800 42.0545 -23.5257 1.12226 -23.5255 -3.92892 -50.7574 1.12222 -50.7575 -17.744 GPRESSAVG: 2538800 41.8002 -24.2974 1.52473 -24.1839 -4.01974 -53.6278 0.858303 -48.4799 -17.299 TIMING: 2538800 CPU: 7574.28, 0.00299671/step Wall: 7574.28, 0.00299671/step, 2.04875 hours remaining, 205.824219 MB of memory in use. ENERGY: 2538800 718.5303 2117.3851 1928.2338 122.2511 -206197.2499 17807.0128 0.0000 0.0000 34273.7764 -149230.0604 299.3214 -183503.8368 -149139.8588 299.6109 152.5353 181.5212 557086.4842 6.7939 6.8271 PRESSURE: 2539000 -62.2425 30.6778 60.7322 30.6792 125.928 -93.4066 60.732 -93.4057 268.586 GPRESSURE: 2539000 -48.3239 149.673 86.8296 88.4059 179.129 -128.336 -56.5055 -107.392 305.451 PRESSAVG: 2539000 12.4649 58.1778 -23.8465 58.1779 -45.0643 17.912 -23.8464 17.9119 48.2411 GPRESSAVG: 2539000 12.8949 59.2858 -24.591 59.0751 -44.0002 22.8474 -24.9165 15.183 47.1311 TIMING: 2539000 CPU: 7574.87, 0.00295258/step Wall: 7574.87, 0.00295258/step, 2.01842 hours remaining, 205.824219 MB of memory in use. ENERGY: 2539000 699.1894 2119.2484 1922.6283 124.7191 -206490.3409 18043.9741 0.0000 0.0000 34240.8165 -149339.7651 299.0336 -183580.5816 -149244.2970 299.6526 110.7572 145.4187 558220.5843 5.2139 5.3419 PRESSURE: 2539200 -172.704 156.315 -77.9858 156.315 -100.343 -59.7978 -77.9847 -59.7983 286.298 GPRESSURE: 2539200 -141.168 90.2477 -98.3698 125.161 -38.1035 -33.1718 -44.1446 -55.8518 280.91 PRESSAVG: 2539200 -11.0366 2.99156 -38.3258 2.99154 -28.1756 32.5502 -38.3258 32.5502 36.4674 GPRESSAVG: 2539200 -12.2171 3.22506 -39.2965 1.24079 -28.1665 28.4799 -36.7873 34.4036 37.8722 TIMING: 2539200 CPU: 7575.46, 0.00294066/step Wall: 7575.46, 0.00294066/step, 2.01011 hours remaining, 205.824219 MB of memory in use. ENERGY: 2539200 745.7550 2105.0250 1938.6054 107.9556 -206431.9749 17971.8851 0.0000 0.0000 34144.4876 -149418.2611 298.1923 -183562.7487 -149324.7236 298.9545 4.4171 33.8792 557695.9952 -0.9149 -0.8371 PRESSURE: 2539400 -220.632 136.532 -24.4963 136.532 101.882 -194.11 -24.4969 -194.11 202.902 GPRESSURE: 2539400 -196.896 131.446 -30.4896 131.397 179.271 -210.866 -6.45819 -148.006 196.992 PRESSAVG: 2539400 -28.6701 23.5773 -16.9908 23.5774 6.48078 4.0524 -16.9908 4.05234 42.3773 GPRESSAVG: 2539400 -28.0806 20.6805 -18.1334 27.1989 5.27897 3.24033 -15.635 1.93564 42.8973 TIMING: 2539400 CPU: 7576.05, 0.00295804/step Wall: 7576.05, 0.00295803/step, 2.02182 hours remaining, 205.824219 MB of memory in use. ENERGY: 2539400 740.2358 2107.2666 1946.9236 98.8832 -206339.0665 18022.6797 0.0000 0.0000 34136.4280 -149286.6496 298.1219 -183423.0776 -149199.0208 298.4691 28.0505 59.7893 557667.5922 6.7293 6.6985 PRESSURE: 2539600 -64.8809 -38.8639 -30.9438 -38.8642 111.543 -117.307 -30.9429 -117.306 -66.5152 GPRESSURE: 2539600 -26.3799 15.6931 36.2652 -10.05 146.305 -138.32 -17.7704 -188.054 -34.8773 PRESSAVG: 2539600 -13.0433 60.9487 54.1883 60.9486 -20.0563 -32.779 54.1882 -32.779 33.0762 GPRESSAVG: 2539600 -14.1962 61.5129 55.8735 57.9789 -19.3023 -32.7969 53.9992 -30.6005 33.6288 TIMING: 2539600 CPU: 7576.65, 0.00297331/step Wall: 7576.65, 0.00297331/step, 2.03209 hours remaining, 205.824219 MB of memory in use. ENERGY: 2539600 722.4694 2124.3384 1910.2158 118.7685 -206591.0112 17908.0717 0.0000 0.0000 34446.9873 -149360.1601 300.8341 -183807.1474 -149265.8953 299.2190 -6.6177 28.3491 556390.9337 -0.0078 0.0434 PRESSURE: 2539800 31.5259 -117.39 81.789 -117.391 96.7746 227.878 81.7884 227.877 336.61 GPRESSURE: 2539800 156.595 -153.941 79.1608 -190.43 126.934 257.197 71.5542 265.914 287.986 PRESSAVG: 2539800 -38.3062 9.10511 -12.3535 9.10506 13.4799 12.0403 -12.3535 12.0404 17.5452 GPRESSAVG: 2539800 -37.6918 8.38364 -10.7817 9.50589 13.4955 11.6752 -13.0293 11.6827 17.1576 TIMING: 2539800 CPU: 7577.24, 0.00294834/step Wall: 7577.24, 0.00294834/step, 2.01486 hours remaining, 205.824219 MB of memory in use. ENERGY: 2539800 686.0800 2082.3344 1919.6033 116.5409 -206467.6371 18005.9478 0.0000 0.0000 34295.7169 -149361.4139 299.5130 -183657.1307 -149270.5814 299.3963 154.9702 190.5047 555867.4083 -2.4270 -2.3462 PRESSURE: 2540000 272.098 34.7379 37.4268 34.7373 72.7628 131.275 37.4279 131.275 238.286 GPRESSURE: 2540000 286.252 84.9764 88.8487 -16.844 102.933 104.287 15.6113 85.8018 277.346 PRESSAVG: 2540000 -35.4657 45.705 24.3914 45.705 -21.1868 2.61131 24.3915 2.61125 51.3999 GPRESSAVG: 2540000 -36.2862 47.9662 25.411 47.3244 -20.2563 4.32511 22.59 2.1099 51.4433 TIMING: 2540000 CPU: 7577.83, 0.00298234/step Wall: 7577.83, 0.00298234/step, 2.03793 hours remaining, 205.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2540000 745.5448 2130.2797 1893.8587 114.7106 -206204.4360 18038.2134 0.0000 0.0000 34206.8331 -149074.9957 298.7368 -183281.8289 -148987.5175 299.4937 194.3822 222.1769 556684.9877 -1.7509 -1.6997 PRESSURE: 2540200 -37.0309 96.2333 4.53296 96.2342 -2.39813 -109.501 4.53329 -109.501 204.205 GPRESSURE: 2540200 15.2599 59.6482 23.6782 25.0803 48.8173 -88.3379 -51.0587 -62.3073 198.346 PRESSAVG: 2540200 55.6629 53.3166 24.9648 53.3166 -51.7668 -7.55338 24.9649 -7.55349 30.6134 GPRESSAVG: 2540200 57.1114 52.2383 20.4453 52.7664 -51.4729 -7.61062 24.9679 -8.988 28.328 TIMING: 2540200 CPU: 7578.42, 0.00296191/step Wall: 7578.42, 0.00296191/step, 2.02381 hours remaining, 205.824219 MB of memory in use. ENERGY: 2540200 746.1803 2102.4356 1932.0340 108.9499 -205953.5699 17833.2924 0.0000 0.0000 34323.0025 -148907.6752 299.7513 -183230.6776 -148810.0985 300.4742 54.9252 87.4742 558477.1976 11.5032 11.3222 LDB: ============= START OF LOAD BALANCING ============== 7581.97 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7581.97 LDB: =============== DONE WITH MIGRATION ================ 7581.97 LDB: ============= START OF LOAD BALANCING ============== 7582.27 LDB: Largest compute 4773 load 0.028469 is 24.1% of average load 0.118213 LDB: Average compute 0.001735 is 1.5% of average load 0.118213 LDB: TIME 7582.27 LOAD: AVG 0.118213 MAX 0.202297 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.109 MB LDB: TIME 7582.27 LOAD: AVG 0.118213 MAX 0.202297 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.152 MB LDB: TIME 7582.27 LOAD: AVG 0.118213 MAX 0.202297 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.152 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7582.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7582.28 PRESSURE: 2540400 -265.422 -43.1922 -23.2419 -43.1926 -57.8222 -25.211 -23.2426 -25.2109 -50.0351 GPRESSURE: 2540400 -219.417 -10.317 -112.919 -79.8699 -34.1147 -69.8224 60.6139 -34.6282 -17.9626 PRESSAVG: 2540400 -32.5472 6.30432 25.1643 6.30434 -55.4989 -1.04866 25.1642 -1.04877 64.0449 GPRESSAVG: 2540400 -32.3672 6.22763 28.2306 5.6219 -56.5982 -0.911341 24.6159 0.415109 65.1225 TIMING: 2540400 CPU: 7579.03, 0.00300803/step Wall: 7579.03, 0.00300803/step, 2.05515 hours remaining, 207.050781 MB of memory in use. ENERGY: 2540400 753.4346 2155.4076 1927.8574 118.8945 -205978.0001 17546.8172 0.0000 0.0000 34597.8426 -148877.7463 302.1516 -183475.5889 -148783.3106 301.2059 -124.4265 -90.4980 557678.6085 -8.0004 -7.9476 PRESSURE: 2540600 154.571 32.701 126.221 32.7013 0.860745 -95.8059 126.22 -95.8054 -569.089 GPRESSURE: 2540600 146.216 4.42446 135.546 62.6342 55.3804 -123.35 149.383 -82.8118 -517.588 PRESSAVG: 2540600 33.8562 42.2368 57.4874 42.2369 -19.9832 -41.1961 57.4874 -41.196 -24.878 GPRESSAVG: 2540600 33.0477 42.8748 56.1099 42.2058 -20.3864 -40.8214 60.1697 -42.9698 -23.7453 TIMING: 2540600 CPU: 7579.62, 0.00298865/step Wall: 7579.62, 0.00298865/step, 2.04175 hours remaining, 207.050781 MB of memory in use. ENERGY: 2540600 721.7313 2125.9583 1917.3020 125.5154 -206016.0143 17644.7931 0.0000 0.0000 34596.7897 -148883.9245 302.1424 -183480.7141 -148779.6168 301.5912 -137.8859 -105.3305 558395.0212 -3.6683 -3.6947 PRESSURE: 2540800 210.002 -40.739 94.1717 -40.7384 140.268 -136.265 94.1733 -136.265 219.157 GPRESSURE: 2540800 247.392 -17.8356 160.091 -39.2604 150.096 -103.157 58.3566 -198.952 265.881 PRESSAVG: 2540800 -2.56139 27.326 52.8165 27.3259 29.153 -31.3233 52.8166 -31.3232 -5.39257 GPRESSAVG: 2540800 -3.18746 23.9801 54.067 28.6572 30.7771 -33.2224 50.3023 -28.8315 -6.54003 TIMING: 2540800 CPU: 7580.21, 0.00295687/step Wall: 7580.21, 0.00295687/step, 2.01987 hours remaining, 207.050781 MB of memory in use. ENERGY: 2540800 738.8390 2139.8166 1916.4106 109.1588 -206498.7170 17966.7980 0.0000 0.0000 34547.2722 -149080.4217 301.7099 -183627.6939 -148984.3066 300.9960 189.8087 221.1231 556684.9370 7.0664 7.0166 PRESSURE: 2541000 -11.5843 237.288 -21.4319 237.287 152.313 110.601 -21.4328 110.602 74.1623 GPRESSURE: 2541000 31.7851 214.966 10.2703 230.979 176.344 118.323 -25.8261 110.238 90.5837 PRESSAVG: 2541000 -5.4732 48.1813 4.75606 48.1813 -7.40907 6.24918 4.75603 6.24903 -23.0507 GPRESSAVG: 2541000 -3.71117 50.9804 3.19939 48.4975 -8.94732 6.28632 5.70827 4.18866 -22.6861 TIMING: 2541000 CPU: 7580.81, 0.00295684/step Wall: 7580.81, 0.00295684/step, 2.01969 hours remaining, 207.050781 MB of memory in use. ENERGY: 2541000 763.0922 2115.9857 1964.6852 112.6674 -206237.3917 17923.9672 0.0000 0.0000 34152.8253 -149204.1687 298.2651 -183356.9939 -149105.6949 300.1586 71.6302 99.5708 558750.0132 -11.9777 -11.7815 PRESSURE: 2541200 84.7623 -97.0186 41.6047 -97.0179 23.6201 -110.536 41.6046 -110.538 168.123 GPRESSURE: 2541200 82.7706 -103.107 38.1526 -83.5862 127.9 -71.5265 105.266 -71.3048 159.492 PRESSAVG: 2541200 -39.2156 1.96388 11.4431 1.96394 -10.4109 20.0365 11.4432 20.0365 11.5708 GPRESSAVG: 2541200 -39.8513 2.83372 11.0149 0.101758 -10.5319 20.3088 12.2116 22.6167 13.0597 TIMING: 2541200 CPU: 7581.4, 0.00295411/step Wall: 7581.4, 0.00295411/step, 2.01766 hours remaining, 207.050781 MB of memory in use. ENERGY: 2541200 726.0817 2106.9668 1961.3413 107.7536 -206307.4765 17927.8440 0.0000 0.0000 34372.8834 -149104.6057 300.1869 -183477.4890 -149008.7157 299.2096 92.1684 123.3872 558270.9774 -12.6852 -12.4412 PRESSURE: 2541400 150.131 -22.4078 200.098 -22.409 -165.893 -131.81 200.098 -131.812 4.51344 GPRESSURE: 2541400 123.799 -43.1015 165.664 11.5205 -163.303 -146.913 216.475 -111.569 131.297 PRESSAVG: 2541400 -21.1072 9.08417 6.34421 9.08418 22.8898 5.58187 6.34427 5.58179 -8.1358 GPRESSAVG: 2541400 -20.8621 6.79623 7.29389 11.0363 23.6108 6.36667 5.61231 3.68112 -8.69634 TIMING: 2541400 CPU: 7581.99, 0.00296085/step Wall: 7581.99, 0.00296085/step, 2.02209 hours remaining, 207.050781 MB of memory in use. ENERGY: 2541400 751.6178 2090.6704 1951.9980 107.4636 -205813.3836 17670.6000 0.0000 0.0000 34185.1163 -149055.9175 298.5471 -183241.0338 -148958.1763 299.7120 -3.7495 30.5974 557558.1693 -2.1177 -1.9826 PRESSURE: 2541600 334.078 -107.77 89.6663 -107.769 -87.3276 -5.55868 89.667 -5.5599 169.044 GPRESSURE: 2541600 342.535 -127.694 39.0785 -125.327 -42.0941 -24.633 75.7146 -119.648 213.551 PRESSAVG: 2541600 -14.9519 -27.9449 33.592 -27.945 35.9585 0.555505 33.592 0.555379 -21.1735 GPRESSAVG: 2541600 -15.751 -26.507 32.8087 -29.1327 36.6914 -1.89935 33.1564 2.30498 -21.0834 TIMING: 2541600 CPU: 7582.58, 0.00294996/step Wall: 7582.58, 0.00294996/step, 2.01449 hours remaining, 207.050781 MB of memory in use. ENERGY: 2541600 754.4940 2108.8529 1927.1728 113.5610 -206503.8200 18090.5834 0.0000 0.0000 34394.0833 -149115.0725 300.3721 -183509.1558 -149015.6337 299.3264 138.5982 171.3306 556374.3740 -0.0556 -0.0477 PRESSURE: 2541800 61.4649 -164.446 -37.7595 -164.446 86.4789 -71.3577 -37.7607 -71.3578 85.6838 GPRESSURE: 2541800 105.911 -218.742 -63.3049 -145.182 108.634 -65.9857 -56.2613 -139.095 109.344 PRESSAVG: 2541800 43.4812 -34.2348 -19.1944 -34.2348 -83.6268 -35.1143 -19.1942 -35.1144 70.0533 GPRESSAVG: 2541800 43.6859 -34.5096 -19.7259 -34.4377 -84.4261 -33.4578 -17.7404 -36.6565 70.6621 TIMING: 2541800 CPU: 7583.17, 0.00296688/step Wall: 7583.17, 0.00296688/step, 2.02588 hours remaining, 207.351562 MB of memory in use. ENERGY: 2541800 722.3161 2159.0403 1923.2291 110.7454 -206476.3561 18090.7626 0.0000 0.0000 34296.0682 -149174.1944 299.5161 -183470.2626 -149081.6057 300.0988 77.8759 107.9632 558757.4894 9.9692 9.9740 PRESSURE: 2542000 -54.6914 -69.9242 56.7346 -69.9247 -36.8942 34.5061 56.7336 34.5067 153.161 GPRESSURE: 2542000 -0.24985 -49.0991 70.1815 -84.2116 5.63663 -20.5036 87.7271 -8.23133 142.747 PRESSAVG: 2542000 -18.9074 -36.4004 -0.226019 -36.4005 23.3779 -3.80388 -0.226092 -3.80385 -10.3894 GPRESSAVG: 2542000 -19.4732 -34.4871 -0.0810661 -37.9343 24.0348 -4.0132 0.613236 -3.61354 -10.4984 TIMING: 2542000 CPU: 7583.77, 0.00297769/step Wall: 7583.77, 0.00297769/step, 2.0331 hours remaining, 207.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2542000 739.8020 2140.0854 1946.0294 132.1020 -206124.5679 17821.1067 0.0000 0.0000 34137.8987 -149207.5436 298.1348 -183345.4424 -149106.0156 299.8702 20.5252 49.3781 558630.1439 -1.9730 -1.9790 PRESSURE: 2542200 -346.526 79.8122 16.0867 79.8128 -23.8608 121.579 16.0875 121.578 -384.53 GPRESSURE: 2542200 -333.366 -3.38631 -89.1511 115.086 -5.60313 190.638 58.4939 114.43 -329.399 PRESSAVG: 2542200 -58.6922 -11.5813 43.3591 -11.5813 53.4532 1.36905 43.3591 1.36906 -7.2492 GPRESSAVG: 2542200 -58.5882 -12.9492 41.6569 -10.4928 51.9786 2.40389 42.3001 2.78839 -5.97295 TIMING: 2542200 CPU: 7584.37, 0.00299348/step Wall: 7584.37, 0.00299348/step, 2.04371 hours remaining, 207.351562 MB of memory in use. ENERGY: 2542200 743.0748 2214.6525 1936.5261 118.3943 -205905.5489 17592.0699 0.0000 0.0000 34135.2026 -149165.6287 298.1112 -183300.8312 -149069.4505 299.1429 -251.6390 -222.7891 559777.6180 -4.1628 -4.1942 PRESSURE: 2542400 -29.9788 18.9991 71.2542 19.0012 13.1232 125.113 71.2539 125.115 -129.759 GPRESSURE: 2542400 -13.5351 50.6107 92.3298 18.8294 48.503 40.9356 63.8474 113.185 -68.0839 PRESSAVG: 2542400 -37.2356 -24.4651 79.8853 -24.4651 8.06629 -7.81168 79.8852 -7.81166 -14.1541 GPRESSAVG: 2542400 -36.435 -23.0454 82.211 -23.5709 8.04912 -8.40031 77.469 -7.64361 -14.976 TIMING: 2542400 CPU: 7584.96, 0.00297801/step Wall: 7584.96, 0.00297801/step, 2.03299 hours remaining, 207.351562 MB of memory in use. ENERGY: 2542400 755.5601 2064.7150 1940.6036 111.3460 -206393.7501 17803.6954 0.0000 0.0000 34411.6584 -149306.1716 300.5256 -183717.8300 -149209.0053 299.1654 -48.8714 -11.0387 557774.0056 -14.4411 -14.4539 PRESSURE: 2542600 198.606 41.7768 -56.5462 41.7779 219.497 -45.9054 -56.5463 -45.9061 279.112 GPRESSURE: 2542600 231.14 91.5692 -29.3773 -1.13434 277.285 -74.8044 -70.5925 23.8323 269.094 PRESSAVG: 2542600 -22.908 27.7516 -16.3359 27.7516 -22.1882 5.77779 -16.336 5.7777 36.9659 GPRESSAVG: 2542600 -23.6282 27.7951 -17.3119 26.5403 -21.6712 3.1201 -15.9044 3.37764 36.4715 TIMING: 2542600 CPU: 7585.56, 0.00297255/step Wall: 7585.56, 0.00297255/step, 2.0291 hours remaining, 207.351562 MB of memory in use. ENERGY: 2542600 722.3042 2093.6135 1913.4575 120.9530 -206280.5017 18039.0775 0.0000 0.0000 34098.8608 -149292.2351 297.7938 -183391.0959 -149194.4339 298.7602 232.4049 259.1731 557999.4022 -2.7101 -2.9426 PRESSURE: 2542800 44.4854 -124.381 31.5707 -124.38 -312.373 -138.581 31.5701 -138.581 -56.7674 GPRESSURE: 2542800 85.094 -138.97 48.8085 -110.34 -309.684 -159.097 31.1144 -129.999 -16.607 PRESSAVG: 2542800 35.3348 28.2863 32.766 28.2863 -47.6591 9.2497 32.766 9.24973 -6.02641 GPRESSAVG: 2542800 36.4762 27.3324 33.03 29.9301 -48.2703 10.5545 33.7668 10.3873 -6.24982 TIMING: 2542800 CPU: 7586.15, 0.00296579/step Wall: 7586.15, 0.00296579/step, 2.02431 hours remaining, 207.351562 MB of memory in use. ENERGY: 2542800 748.3991 2114.4810 1926.1900 109.3883 -205846.1503 17618.7680 0.0000 0.0000 34229.1013 -149099.8227 298.9313 -183328.9239 -148995.2353 299.0576 -108.2183 -80.3991 558337.9920 -6.1169 -6.0146 PRESSURE: 2543000 -8.64584 -205.998 48.6541 -206 -76.9704 -30.5585 48.6553 -30.5586 -219.293 GPRESSURE: 2543000 -26.2022 -239.38 56.8726 -233.225 26.0005 -14.5303 83.8365 -6.62051 -212.688 PRESSAVG: 2543000 73.0001 15.2213 17.2068 15.2214 -27.2786 -12.7945 17.2067 -12.7946 -66.5581 GPRESSAVG: 2543000 71.0719 14.4908 17.4698 15.8762 -26.2197 -12.6628 17.6582 -13.3081 -65.3327 TIMING: 2543000 CPU: 7586.75, 0.00297535/step Wall: 7586.75, 0.00297535/step, 2.03067 hours remaining, 207.351562 MB of memory in use. ENERGY: 2543000 758.3430 2152.3354 1911.4758 110.4427 -205848.3232 17482.3211 0.0000 0.0000 34203.8664 -149229.5388 298.7109 -183433.4053 -149140.7336 299.2163 -101.6365 -70.9632 557545.9239 -6.9455 -6.8269 PRESSURE: 2543200 131.867 -56.9 22.1801 -56.8997 -65.6993 23.5174 22.1797 23.518 -13.4768 GPRESSURE: 2543200 160.747 -8.39606 42.056 -70.9463 -7.06093 58.4387 67.7135 -6.49317 -10.2958 PRESSAVG: 2543200 -25.1265 -2.92571 8.16641 -2.92566 61.1254 -27.4157 8.16646 -27.4158 -38.5197 GPRESSAVG: 2543200 -24.0085 -3.63914 9.90163 -2.13178 60.6334 -26.0138 6.98965 -28.9094 -38.6362 TIMING: 2543200 CPU: 7587.34, 0.00298079/step Wall: 7587.34, 0.00298079/step, 2.03422 hours remaining, 207.351562 MB of memory in use. ENERGY: 2543200 739.0616 2055.8048 1923.6121 106.6186 -206215.8297 17901.8791 0.0000 0.0000 34076.9397 -149411.9138 297.6024 -183488.8535 -149316.9830 298.7135 17.5635 47.7968 557737.9949 -0.8402 -0.6704 PRESSURE: 2543400 157.784 78.5326 -186.082 78.5326 142.84 18.8646 -186.08 18.8653 17.4038 GPRESSURE: 2543400 146.467 82.1806 -132.696 -10.1909 221.983 96.3098 -205.652 -55.172 52.249 PRESSAVG: 2543400 58.9661 37.8096 -37.1627 37.8096 13.8266 -8.06317 -37.1627 -8.06307 -69.8334 GPRESSAVG: 2543400 58.7133 40.1007 -40.2233 33.4553 14.7844 -6.96634 -33.1412 -7.20011 -70.3495 TIMING: 2543400 CPU: 7587.93, 0.00296418/step Wall: 7587.93, 0.00296418/step, 2.02272 hours remaining, 207.351562 MB of memory in use. ENERGY: 2543400 734.7010 2034.4022 1950.2919 116.0015 -206261.4133 17908.9095 0.0000 0.0000 34315.2967 -149201.8105 299.6840 -183517.1072 -149107.9513 299.0381 106.0091 140.2330 557432.9013 0.9865 1.0494 PRESSURE: 2543600 -29.4228 -152.963 141.436 -152.964 -31.4907 -6.32716 141.434 -6.327 -214.407 GPRESSURE: 2543600 44.2075 -111.475 161.582 -129.312 5.01754 -78.2707 46.6176 -22.678 -222.997 PRESSAVG: 2543600 -22.0161 51.5677 -10.9945 51.5677 69.092 14.7795 -10.9944 14.7794 -32.7182 GPRESSAVG: 2543600 -21.3021 49.2646 -8.62529 53.936 67.7282 12.633 -14.2147 14.5919 -31.4125 TIMING: 2543600 CPU: 7588.53, 0.00297414/step Wall: 7588.53, 0.00297414/step, 2.02935 hours remaining, 207.351562 MB of memory in use. ENERGY: 2543600 755.6839 2141.8137 1915.3975 102.7267 -205933.1230 17615.6340 0.0000 0.0000 34376.7441 -149025.1230 300.2207 -183401.8671 -148929.0897 299.7817 -91.7734 -57.9240 558678.5502 4.7859 5.0045 PRESSURE: 2543800 -89.4066 -16.6797 -191.712 -16.6806 -112.778 209.575 -191.711 209.574 -40.4094 GPRESSURE: 2543800 -38.1882 -31.9355 -91.6523 -6.33863 -80.6566 248.374 -272.938 253.267 -20.2572 PRESSAVG: 2543800 -64.6998 -20.8508 1.46474 -20.8507 59.2787 54.245 1.46473 54.2449 3.38002 GPRESSAVG: 2543800 -65.1216 -18.1864 -0.49623 -20.8522 60.9026 56.4647 0.911716 51.4611 2.22038 TIMING: 2543800 CPU: 7589.13, 0.00299432/step Wall: 7589.13, 0.00299432/step, 2.04296 hours remaining, 207.351562 MB of memory in use. ENERGY: 2543800 764.9492 2090.4083 1947.6516 115.9544 -206109.0621 17754.6590 0.0000 0.0000 34273.6631 -149161.7766 299.3204 -183435.4397 -149069.6595 300.5918 -80.8647 -46.3673 558473.4973 -0.6804 -0.6662 PRESSURE: 2544000 -215.504 -28.6472 76.3209 -28.6472 -217.236 222.315 76.3204 222.313 -13.5302 GPRESSURE: 2544000 -169.657 2.31048 60.9956 -52.7394 -212.519 317.483 43.7577 150.187 19.5579 PRESSAVG: 2544000 -17.9811 -56.4864 13.1233 -56.4864 27.3221 13.4283 13.1233 13.4282 -21.8985 GPRESSAVG: 2544000 -18.7484 -57.8145 13.284 -56.6677 27.4201 10.8839 13.9686 17.6813 -20.8649 TIMING: 2544000 CPU: 7589.72, 0.00298339/step Wall: 7589.72, 0.00298339/step, 2.03534 hours remaining, 207.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2544000 754.6125 2058.5391 1917.7947 104.3843 -206240.6360 17626.8784 0.0000 0.0000 34255.9044 -149522.5227 299.1653 -183778.4270 -149421.9271 299.4717 -148.7566 -120.8728 557181.2800 -4.1859 -4.0644 PRESSURE: 2544200 135.692 85.1776 81.1939 85.1789 222.405 -155.097 81.1931 -155.097 13.0228 GPRESSURE: 2544200 204.885 57.1592 28.0571 34.6865 210.765 -45.7535 109.504 -211.23 53.9801 PRESSAVG: 2544200 6.90604 42.9492 -28.756 42.9492 -5.65808 -0.0910326 -28.756 -0.0911554 -27.6304 GPRESSAVG: 2544200 7.21154 43.1517 -28.7063 44.0608 -5.32677 1.32124 -27.6809 -1.25049 -28.2743 TIMING: 2544200 CPU: 7590.32, 0.0029597/step Wall: 7590.32, 0.0029597/step, 2.01901 hours remaining, 207.351562 MB of memory in use. ENERGY: 2544200 721.1772 2065.3547 1941.0550 120.3898 -206643.0761 18017.1073 0.0000 0.0000 34207.8224 -149570.1697 298.7454 -183777.9921 -149488.2523 298.8050 123.7065 156.5431 556809.3372 -8.7942 -8.7965 LDB: ============= START OF LOAD BALANCING ============== 7593.86 LDB: ============== END OF LOAD BALANCING =============== 7593.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7593.87 LDB: ============= START OF LOAD BALANCING ============== 7594.16 LDB: Largest compute 4773 load 0.028276 is 23.9% of average load 0.118227 LDB: Average compute 0.001735 is 1.5% of average load 0.118227 LDB: TIME 7594.17 LOAD: AVG 0.118227 MAX 0.204043 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.027 MB LDB: TIME 7594.17 LOAD: AVG 0.118227 MAX 0.204043 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.027 MB LDB: TIME 7594.17 LOAD: AVG 0.118227 MAX 0.204043 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.027 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7594.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7594.17 PRESSURE: 2544400 -242.858 -109.823 85.5594 -109.823 17.3648 119.888 85.5588 119.889 -160.064 GPRESSURE: 2544400 -209.706 -98.8241 102.753 -27.1199 20.8261 217.462 113.715 -5.32189 -96.6744 PRESSAVG: 2544400 -57.9461 17.979 -3.60985 17.979 34.7773 69.3157 -3.60983 69.3157 13.3811 GPRESSAVG: 2544400 -57.0084 18.206 -3.58176 17.5394 34.6483 68.8282 -4.49959 68.4592 13.39 TIMING: 2544400 CPU: 7590.92, 0.00303377/step Wall: 7590.92, 0.00303377/step, 2.06937 hours remaining, 206.539062 MB of memory in use. ENERGY: 2544400 727.6650 2137.0942 1897.7222 101.1256 -206184.5085 17581.7017 0.0000 0.0000 34245.8834 -149493.3166 299.0778 -183739.2000 -149399.3384 298.8687 -128.5190 -95.1848 558300.7177 -3.2626 -2.9900 PRESSURE: 2544600 -12.5016 -44.6054 95.0647 -44.6048 -256.584 106.269 95.0631 106.27 -67.5751 GPRESSURE: 2544600 -20.6731 -61.78 32.9623 -45.4233 -221.542 147.311 107.483 81.5973 10.8269 PRESSAVG: 2544600 -67.4691 -29.5876 4.46316 -29.5876 28.829 19.0803 4.46327 19.0804 60.1891 GPRESSAVG: 2544600 -68.2103 -30.8052 5.09877 -28.2698 30.6401 19.6517 4.53246 18.3788 59.5611 TIMING: 2544600 CPU: 7591.51, 0.00295656/step Wall: 7591.51, 0.00295656/step, 2.01654 hours remaining, 206.539062 MB of memory in use. ENERGY: 2544600 740.5821 2040.9147 1886.6620 105.1327 -206422.9410 18027.5735 0.0000 0.0000 34125.0540 -149497.0219 298.0226 -183622.0759 -149402.6454 298.0847 -112.2202 -77.1295 558261.0437 7.1830 7.3303 PRESSURE: 2544800 -241.421 170.947 58.1328 170.947 -11.9791 83.2856 58.1326 83.2846 65.0098 GPRESSURE: 2544800 -203.178 169.447 126.585 221.184 34.1595 86.196 37.7488 120.268 71.2909 PRESSAVG: 2544800 23.7516 -50.4915 -28.6786 -50.4916 -8.98486 16.759 -28.6785 16.7589 -36.1424 GPRESSAVG: 2544800 23.6867 -51.521 -30.3442 -50.1109 -10.0367 15.9212 -28.7851 19.3917 -35.7961 TIMING: 2544800 CPU: 7592.11, 0.0029994/step Wall: 7592.11, 0.0029994/step, 2.04559 hours remaining, 206.539062 MB of memory in use. ENERGY: 2544800 720.4224 2110.1993 1906.8898 118.5968 -206235.0423 17831.2745 0.0000 0.0000 34136.4467 -149411.2129 298.1221 -183547.6595 -149322.4546 298.2445 -62.7969 -32.5758 558507.5656 -7.1252 -7.3821 PRESSURE: 2545000 -174.746 -227.892 -90.5742 -227.892 -288.834 130.032 -90.575 130.032 -227.406 GPRESSURE: 2545000 -114.824 -211.84 -26.5271 -215.243 -280.581 149.089 -109.173 121.319 -211.335 PRESSAVG: 2545000 -86.5031 -50.2466 23.0926 -50.2465 38.6603 22.5914 23.0926 22.5915 27.3046 GPRESSAVG: 2545000 -83.98 -48.5686 25.2249 -52.7386 37.665 22.9691 22.4048 21.5336 25.46 TIMING: 2545000 CPU: 7592.71, 0.00298382/step Wall: 7592.71, 0.00298382/step, 2.0348 hours remaining, 206.539062 MB of memory in use. ENERGY: 2545000 741.7485 2124.7459 1919.0561 105.7866 -206077.3641 17541.1013 0.0000 0.0000 34374.7048 -149270.2208 300.2028 -183644.9256 -149174.7120 299.3497 -230.3287 -202.2464 557928.7653 -6.8461 -6.9517 PRESSURE: 2545200 -391.714 2.24644 23.1113 2.24539 -250.834 -104.176 23.11 -104.176 -197.737 GPRESSURE: 2545200 -384.171 16.0213 109.722 14.4598 -198.596 -117.43 41.2737 -93.9638 -163.151 PRESSAVG: 2545200 -25.7244 -27.5316 -36.8309 -27.5316 8.39316 11.5315 -36.8309 11.5316 45.5963 GPRESSAVG: 2545200 -27.9126 -29.0832 -39.1294 -25.0736 9.53919 11.7459 -35.4957 12.4942 46.532 TIMING: 2545200 CPU: 7593.3, 0.00296044/step Wall: 7593.3, 0.00296044/step, 2.01869 hours remaining, 206.539062 MB of memory in use. ENERGY: 2545200 749.5251 2040.4582 1914.0299 107.1583 -205983.7276 17345.7511 0.0000 0.0000 34344.8818 -149481.9232 299.9424 -183826.8051 -149383.8862 298.3409 -280.0950 -248.6395 557998.5003 9.4217 9.3862 PRESSURE: 2545400 -52.2662 142.473 131.011 142.474 118.503 -34.9518 131.011 -34.9521 -21.7732 GPRESSURE: 2545400 -38.1477 103.135 78.3695 205.539 124 -85.2157 151.338 -24.1874 51.581 PRESSAVG: 2545400 8.46052 -1.5282 16.6253 -1.52818 -9.96114 -18.9171 16.6254 -18.9171 12.6195 GPRESSAVG: 2545400 8.15417 -1.45882 17.2619 -2.34858 -9.94657 -19.1078 15.198 -18.501 12.7519 TIMING: 2545400 CPU: 7593.9, 0.00299405/step Wall: 7593.9, 0.00299405/step, 2.04144 hours remaining, 206.539062 MB of memory in use. ENERGY: 2545400 716.7720 2077.5810 1945.3504 125.4054 -206099.0278 17631.9163 0.0000 0.0000 34042.1487 -149559.8540 297.2986 -183602.0027 -149459.4374 298.7293 14.8214 45.8110 556684.2216 3.7063 3.6532 PRESSURE: 2545600 -95.3187 24.9992 -22.0995 24.9981 115.442 -45.4258 -22.1018 -45.4266 19.0104 GPRESSURE: 2545600 -51.0637 77.5888 -57.0298 -47.2161 136.216 -7.48561 54.0543 -154.482 58.6443 PRESSAVG: 2545600 20.1568 -38.5723 -51.8273 -38.5723 28.1349 5.49635 -51.8272 5.49627 -50.1267 GPRESSAVG: 2545600 20.2584 -37.5833 -51.0299 -38.334 27.7145 4.99863 -48.5524 3.70348 -49.8091 TIMING: 2545600 CPU: 7594.5, 0.00298264/step Wall: 7594.5, 0.00298264/step, 2.0335 hours remaining, 206.539062 MB of memory in use. ENERGY: 2545600 743.5185 2101.5773 1931.5789 128.9218 -206498.3900 17756.1411 0.0000 0.0000 34130.5282 -149706.1240 298.0704 -183836.6523 -149619.6143 298.0410 13.0446 47.9322 556010.4835 -0.6117 -0.6121 PRESSURE: 2545800 163.518 -12.2571 108.597 -12.2572 -221.23 78.817 108.597 78.8167 -11.4797 GPRESSURE: 2545800 151.233 -78.2418 78.2248 36.8899 -139.287 57.2034 91.8047 101.3 25.07 PRESSAVG: 2545800 25.6916 0.717815 53.0722 0.717824 6.1899 42.9449 53.0722 42.9449 -17.2162 GPRESSAVG: 2545800 25.5836 0.879287 53.7078 -0.29982 5.86162 42.6517 49.5718 44.4033 -16.3909 TIMING: 2545800 CPU: 7595.09, 0.00297648/step Wall: 7595.09, 0.00297648/step, 2.02913 hours remaining, 206.539062 MB of memory in use. ENERGY: 2545800 771.0407 2034.2216 1928.5329 110.3463 -206493.3854 17944.9468 0.0000 0.0000 34143.8854 -149560.4117 298.1870 -183704.2971 -149459.1636 298.6524 -23.0638 12.3389 557066.9712 4.8885 5.0181 PRESSURE: 2546000 -19.95 -93.8998 43.9804 -93.9005 167.291 156.935 43.9816 156.936 -122.022 GPRESSURE: 2546000 -23.2454 -62.9456 30.4271 -152.861 216.137 221.628 7.87084 117.407 -58.4884 PRESSAVG: 2546000 70.692 15.5735 12.4969 15.5735 48.2771 24.1583 12.4969 24.1584 -100.841 GPRESSAVG: 2546000 72.6415 17.199 9.98431 14.5812 47.741 23.5069 15.2762 22.3781 -102.259 TIMING: 2546000 CPU: 7595.69, 0.00296649/step Wall: 7595.69, 0.00296649/step, 2.02216 hours remaining, 206.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2546000 702.5826 2077.0218 1934.0592 118.2337 -206205.3103 17774.2519 0.0000 0.0000 34187.1224 -149412.0387 298.5646 -183599.1610 -149318.9128 298.2489 8.4397 44.8009 557687.8272 6.0426 6.0411 PRESSURE: 2546200 -215.359 32.6487 -103.419 32.6485 -85.439 42.2595 -103.42 42.2584 -22.6593 GPRESSURE: 2546200 -198.351 28.804 -109.952 78.8271 -33.837 107.525 -104.013 83.8536 6.25474 PRESSAVG: 2546200 -1.54727 -15.3397 5.34659 -15.3396 -29.7765 -8.05086 5.34667 -8.05085 27.8031 GPRESSAVG: 2546200 -1.17391 -20.0258 5.93443 -11.8435 -30.3529 -5.22845 4.85999 -8.01789 27.2375 TIMING: 2546200 CPU: 7596.28, 0.00294855/step Wall: 7596.28, 0.00294854/step, 2.00976 hours remaining, 206.539062 MB of memory in use. ENERGY: 2546200 752.1099 2099.6167 1932.9617 110.4186 -206242.5220 17728.7541 0.0000 0.0000 34370.9721 -149247.6888 300.1702 -183618.6609 -149155.7257 299.3404 -107.8192 -75.3111 558797.8065 -1.1735 -1.4297 PRESSURE: 2546400 -48.2872 -62.6761 42.7971 -62.6753 -72.4356 78.258 42.7966 78.2593 -96.4958 GPRESSURE: 2546400 0.0505045 -23.1245 82.3726 -108.385 -111.325 59.8155 135.983 91.5455 8.02995 PRESSAVG: 2546400 -39.44 -7.4109 57.8107 -7.41089 -23.1413 6.67821 57.8106 6.67829 76.5491 GPRESSAVG: 2546400 -39.7859 -2.31602 56.9998 -9.7954 -22.1091 4.84418 58.9245 7.52407 75.7304 TIMING: 2546400 CPU: 7596.87, 0.00297749/step Wall: 7596.87, 0.00297749/step, 2.02933 hours remaining, 206.539062 MB of memory in use. ENERGY: 2546400 747.0785 2110.3753 1929.9814 121.3978 -206160.6273 17735.7232 0.0000 0.0000 34194.4518 -149321.6192 298.6287 -183516.0710 -149226.0617 299.2828 -72.4062 -34.4149 557142.7387 4.6560 4.6118 PRESSURE: 2546600 96.266 124.856 136.694 124.857 -27.3156 88.3195 136.695 88.3201 91.1197 GPRESSURE: 2546600 160.36 123.605 161.219 119.045 23.9694 18.3094 57.7267 71.8668 85.5065 PRESSAVG: 2546600 13.5727 11.1655 84.4424 11.1655 21.3623 13.8268 84.4424 13.8267 -2.68658 GPRESSAVG: 2546600 12.5577 11.6152 85.8927 12.1172 22.3409 13.1632 83.2684 15.0751 -2.27034 TIMING: 2546600 CPU: 7597.47, 0.00297781/step Wall: 7597.47, 0.00297781/step, 2.02937 hours remaining, 206.539062 MB of memory in use. ENERGY: 2546600 754.4154 2108.9135 1956.5302 136.9773 -206593.4714 17944.2129 0.0000 0.0000 34391.1744 -149301.2476 300.3467 -183692.4220 -149205.7090 298.7715 53.3567 89.9451 557050.7126 10.7495 10.8761 PRESSURE: 2546800 -14.7249 -65.6311 -43.7469 -65.6315 -80.0992 -163.686 -43.7453 -163.688 78.3599 GPRESSURE: 2546800 31.3772 5.06062 24.7913 -89.86 -44.9762 -261.427 25.798 -168.388 107.135 PRESSAVG: 2546800 -39.3051 32.0626 -3.89226 32.0626 -6.70521 -16.7344 -3.89216 -16.7345 -5.01865 GPRESSAVG: 2546800 -39.2387 30.7771 -4.88024 31.9328 -8.02126 -16.3834 -3.65808 -19.1273 -3.22722 TIMING: 2546800 CPU: 7598.07, 0.00298941/step Wall: 7598.07, 0.00298941/step, 2.03712 hours remaining, 206.539062 MB of memory in use. ENERGY: 2546800 721.4256 2085.6867 1917.7150 114.8274 -206209.4793 17715.3039 0.0000 0.0000 34409.5491 -149244.9716 300.5072 -183654.5208 -149148.5733 298.4493 -5.4881 31.1788 557031.9298 -17.0097 -16.8290 PRESSURE: 2547000 -136.348 -91.9258 -248.606 -91.9275 1.30241 106.259 -248.607 106.26 -110.401 GPRESSURE: 2547000 -89.8211 -42.5874 -284.064 -89.1875 56.3385 96.109 -209.178 111.678 -119.2 PRESSAVG: 2547000 24.9489 -12.6285 -32.5459 -12.6285 -10.4981 24.4184 -32.5458 24.4185 -6.36654 GPRESSAVG: 2547000 25.7461 -10.437 -30.9913 -15.7048 -10.2641 26.4414 -33.1129 24.3639 -6.86654 TIMING: 2547000 CPU: 7598.66, 0.00298686/step Wall: 7598.66, 0.00298686/step, 2.03521 hours remaining, 206.539062 MB of memory in use. ENERGY: 2547000 758.8105 2134.4455 1919.7969 114.2645 -206122.4558 17683.8280 0.0000 0.0000 34311.7768 -149199.5336 299.6533 -183511.3104 -149108.3766 299.2777 -81.8152 -50.8942 556588.8670 2.6948 2.8718 PRESSURE: 2547200 11.4071 -35.4519 166.089 -35.4512 -66.0124 123.021 166.09 123.021 -112.559 GPRESSURE: 2547200 27.6107 -42.0679 198.601 -94.7776 -48.2066 221.324 172.481 31.131 -33.7695 PRESSAVG: 2547200 29.2081 -3.94685 -37.1577 -3.94684 112.78 -33.3748 -37.1577 -33.3746 -76.6882 GPRESSAVG: 2547200 28.5414 -8.01857 -37.3282 0.147733 112.74 -35.3321 -37.262 -31.1853 -76.0911 TIMING: 2547200 CPU: 7599.26, 0.00300443/step Wall: 7599.26, 0.00300443/step, 2.04702 hours remaining, 206.539062 MB of memory in use. ENERGY: 2547200 767.3126 2123.7030 1961.3898 118.8108 -206340.6458 17924.4389 0.0000 0.0000 34148.8609 -149296.1299 298.2305 -183444.9908 -149194.4516 299.1579 -55.7215 -18.1218 557503.8051 21.7666 21.7302 PRESSURE: 2547400 16.1943 181.539 13.2745 181.539 -291.455 145.567 13.2743 145.566 -282.254 GPRESSURE: 2547400 3.40868 181.972 -69.5631 75.9597 -255.709 69.8821 66.4381 224.323 -199.768 PRESSAVG: 2547400 7.50953 -19.196 -43.0525 -19.1961 -57.8343 32.1894 -43.0524 32.1894 24.4556 GPRESSAVG: 2547400 8.96149 -18.2233 -43.8211 -19.4221 -57.7162 31.9766 -42.0301 33.1253 23.7077 TIMING: 2547400 CPU: 7599.86, 0.00296816/step Wall: 7599.86, 0.00296816/step, 2.02214 hours remaining, 206.539062 MB of memory in use. ENERGY: 2547400 742.8877 2116.3809 1944.2729 114.5795 -205860.3838 17463.1246 0.0000 0.0000 34257.5589 -149221.5793 299.1798 -183479.1382 -149125.5990 298.6279 -185.8384 -150.6893 558828.8760 -8.6230 -8.3490 PRESSURE: 2547600 86.8279 14.2104 15.8853 14.2113 -141.276 -12.5199 15.8849 -12.5199 297.397 GPRESSURE: 2547600 136.879 -28.5203 44.93 105.084 -83.7183 87.105 45.8802 -30.7593 281.03 PRESSAVG: 2547600 -59.4749 29.5118 14.7758 29.5118 17.3461 -44.2874 14.7756 -44.2875 37.7809 GPRESSAVG: 2547600 -59.4038 29.5189 13.7191 27.1567 16.4554 -43.0345 15.9894 -45.9408 38.6799 TIMING: 2547600 CPU: 7600.45, 0.00294858/step Wall: 7600.45, 0.00294859/step, 2.00864 hours remaining, 206.539062 MB of memory in use. ENERGY: 2547600 769.1868 2053.0147 1929.2323 111.5381 -206654.5398 18044.7372 0.0000 0.0000 34418.7756 -149328.0551 300.5877 -183746.8308 -149229.8406 299.2473 80.9828 111.3970 557326.9522 -1.4493 -1.4228 PRESSURE: 2547800 95.5208 -36.7659 -76.8847 -36.7646 -242.514 25.5347 -76.8849 25.5349 -242.302 GPRESSURE: 2547800 101.034 -88.64 -59.1532 -41.4566 -188.311 138.228 -65.7064 -27.2825 -218.525 PRESSAVG: 2547800 34.3657 17.359 5.46169 17.359 -66.7058 36.5461 5.46179 36.5461 31.1043 GPRESSAVG: 2547800 33.5818 17.2097 5.9987 17.3478 -66.5607 36.9799 4.3624 35.2408 31.9873 TIMING: 2547800 CPU: 7601.04, 0.00294326/step Wall: 7601.04, 0.00294326/step, 2.00485 hours remaining, 206.539062 MB of memory in use. ENERGY: 2547800 752.2676 2044.2292 1932.8542 117.5209 -206198.5164 17620.5148 0.0000 0.0000 34490.8399 -149240.2898 301.2171 -183731.1296 -149144.1747 298.5921 -129.7648 -101.9340 556673.0824 -0.4119 -0.3305 PRESSURE: 2548000 -21.6356 79.3024 1.51019 79.3032 82.2206 5.17157 1.50901 5.17083 -119.899 GPRESSURE: 2548000 -21.9276 94.2357 -47.299 31.8053 147.472 -31.6327 11.7237 26.279 -88.2047 PRESSAVG: 2548000 11.1174 64.7754 3.58117 64.7755 -57.2167 -19.4333 3.5812 -19.4332 17.1907 GPRESSAVG: 2548000 12.0376 61.8388 4.58484 66.2761 -57.6053 -19.9632 1.28445 -19.8028 17.14 TIMING: 2548000 CPU: 7601.63, 0.00296038/step Wall: 7601.63, 0.00296038/step, 2.01635 hours remaining, 206.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2548000 708.7726 2087.0218 1972.7493 96.3297 -206099.7051 17673.7838 0.0000 0.0000 34395.5634 -149165.4845 300.3850 -183561.0479 -149068.2642 298.9169 -19.7712 12.4465 556657.9068 -9.6362 -9.4759 PRESSURE: 2548200 94.573 -2.72883 -47.4523 -2.73 2.69291 -181.805 -47.4521 -181.805 -153.067 GPRESSURE: 2548200 83.755 8.46169 28.16 -8.69448 15.952 -165.617 -42.1272 -224.192 -64.1825 PRESSAVG: 2548200 42.4745 -29.4721 38.7729 -29.472 -55.657 -25.8084 38.7729 -25.8084 1.07077 GPRESSAVG: 2548200 41.4783 -28.7979 38.4002 -29.5828 -54.7205 -26.8348 38.0336 -25.1282 0.375713 TIMING: 2548200 CPU: 7602.21, 0.00293061/step Wall: 7602.21, 0.00293061/step, 1.99591 hours remaining, 206.539062 MB of memory in use. ENERGY: 2548200 723.5046 2111.2921 1947.4370 118.5646 -205996.9861 17598.4922 0.0000 0.0000 34251.0428 -149246.6528 299.1229 -183497.6957 -149151.1458 299.5099 -18.6005 11.8415 556161.6560 -4.0372 -4.2889 LDB: ============= START OF LOAD BALANCING ============== 7605.76 LDB: ============== END OF LOAD BALANCING =============== 7605.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7605.76 LDB: ============= START OF LOAD BALANCING ============== 7606.06 LDB: Largest compute 4773 load 0.027692 is 23.4% of average load 0.118269 LDB: Average compute 0.001731 is 1.5% of average load 0.118269 LDB: TIME 7606.06 LOAD: AVG 0.118269 MAX 0.204545 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.824 MB LDB: TIME 7606.06 LOAD: AVG 0.118269 MAX 0.204545 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.887 MB LDB: TIME 7606.06 LOAD: AVG 0.118269 MAX 0.204545 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.887 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7606.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7606.07 PRESSURE: 2548400 -74.2234 -147.881 -87.3259 -147.881 -139.295 -115.446 -87.3256 -115.445 175.338 GPRESSURE: 2548400 -21.0419 -113.904 -98.803 -122.537 -141.058 -110.802 -84.627 -140.099 221.318 PRESSAVG: 2548400 3.15317 -35.105 -7.75372 -35.105 -47.99 -43.7038 -7.75377 -43.704 55.181 GPRESSAVG: 2548400 3.74299 -31.4852 -5.52734 -37.1152 -48.6388 -44.6414 -7.21803 -42.3286 55.072 TIMING: 2548400 CPU: 7602.82, 0.00300605/step Wall: 7602.82, 0.00300605/step, 2.04712 hours remaining, 206.718750 MB of memory in use. ENERGY: 2548400 738.0409 2058.3393 1944.1540 98.8952 -206352.0572 17816.8575 0.0000 0.0000 34271.9127 -149423.8576 299.3051 -183695.7703 -149328.4894 298.9849 -12.7271 19.7392 556360.4011 3.4480 3.3921 PRESSURE: 2548600 218.127 -11.5938 -46.739 -11.5933 240.744 17.2194 -46.7392 17.2197 204.639 GPRESSURE: 2548600 316.91 -12.5517 -153.366 1.85186 222.166 94.3271 -30.3435 21.1922 222.063 PRESSAVG: 2548600 58.1407 -52.1131 -10.7341 -52.1131 23.6502 -22.1242 -10.7341 -22.1241 -48.1786 GPRESSAVG: 2548600 58.7726 -54.2227 -12.5089 -52.0097 22.9142 -19.9087 -10.6517 -23.8065 -47.9322 TIMING: 2548600 CPU: 7603.4, 0.00292572/step Wall: 7603.4, 0.00292572/step, 1.99225 hours remaining, 206.718750 MB of memory in use. ENERGY: 2548600 718.1150 2131.6246 1939.8423 112.6557 -206465.4017 17938.0437 0.0000 0.0000 34299.6512 -149325.4692 299.5474 -183625.1204 -149230.9626 298.3696 221.1701 253.7130 555362.7859 11.2041 11.2515 PRESSURE: 2548800 279.723 -55.8436 -40.0124 -55.8432 251.463 -25.8967 -40.0119 -25.8973 -105.456 GPRESSURE: 2548800 287.458 -78.7195 -13.2085 -83.7586 328.153 38.9819 -38.8062 48.4719 -96.1232 PRESSAVG: 2548800 29.2668 -23.4054 -50.2494 -23.4054 23.1048 -4.73254 -50.2494 -4.73253 -78.8266 GPRESSAVG: 2548800 28.3357 -24.1553 -50.4892 -22.9775 25.1604 -4.92974 -48.258 -2.6446 -79.5362 TIMING: 2548800 CPU: 7603.99, 0.00296815/step Wall: 7603.99, 0.00296815/step, 2.02098 hours remaining, 206.718750 MB of memory in use. ENERGY: 2548800 737.2167 2089.7835 1937.9196 102.4954 -206798.4991 18206.6880 0.0000 0.0000 34185.2860 -149539.1100 298.5486 -183724.3960 -149444.3008 298.8137 141.9099 173.1625 556210.2852 -8.8183 -8.6800 PRESSURE: 2549000 -131.739 251.189 -9.17281 251.188 12.6143 134.058 -9.17275 134.057 -140.739 GPRESSURE: 2549000 -126.102 211.22 -50.3322 272.04 53.4151 172.746 31.3345 168.059 -97.3724 PRESSAVG: 2549000 33.2213 11.786 -21.8587 11.786 18.9384 14.0762 -21.8587 14.0763 -23.5329 GPRESSAVG: 2549000 34.9632 14.5259 -20.9943 13.0464 16.5913 13.9483 -24.7499 12.5381 -22.833 TIMING: 2549000 CPU: 7604.59, 0.00298711/step Wall: 7604.59, 0.00298711/step, 2.03372 hours remaining, 206.718750 MB of memory in use. ENERGY: 2549000 772.5044 2108.2749 1929.6229 108.5993 -206187.3270 17601.9188 0.0000 0.0000 34132.5612 -149533.8455 298.0881 -183666.4066 -149433.9745 298.4739 -86.6212 -56.6864 556314.6675 9.5423 9.5738 PRESSURE: 2549200 -390.626 -64.2814 95.3805 -64.2819 -211.418 132.484 95.3808 132.484 -76.6699 GPRESSURE: 2549200 -379.221 -178.134 108.603 -20.2069 -123.025 135.934 39.2501 82.949 -68.0298 PRESSAVG: 2549200 -48.4805 -15.5121 13.3013 -15.5121 33.959 -13.562 13.3013 -13.5621 15.8048 GPRESSAVG: 2549200 -50.264 -19.0649 10.6239 -14.486 36.0567 -13.2229 16.0859 -15.347 16.0074 TIMING: 2549200 CPU: 7605.18, 0.00295929/step Wall: 7605.18, 0.00295929/step, 2.01462 hours remaining, 206.718750 MB of memory in use. ENERGY: 2549200 731.9101 2073.2397 1955.9826 119.3238 -206436.3729 17603.3035 0.0000 0.0000 34324.5678 -149628.0455 299.7650 -183952.6133 -149529.3692 298.4250 -226.2378 -190.0917 557496.8914 0.4278 0.6000 PRESSURE: 2549400 32.7919 -77.2162 -110.124 -77.2164 187.335 157.207 -110.126 157.204 -15.6048 GPRESSURE: 2549400 20.5389 -99.4504 -76.0632 -29.5642 169.219 192.419 -34.8679 180.596 100.026 PRESSAVG: 2549400 -76.3716 6.76594 28.465 6.76587 11.4605 30.8003 28.4649 30.8004 74.0644 GPRESSAVG: 2549400 -76.4854 7.15427 30.4478 5.16791 11.7131 30.355 25.2165 33.6566 73.4043 TIMING: 2549400 CPU: 7605.77, 0.0029453/step Wall: 7605.77, 0.0029453/step, 2.00493 hours remaining, 206.718750 MB of memory in use. ENERGY: 2549400 752.8904 2100.8412 1937.7213 103.8631 -206628.5414 18048.5367 0.0000 0.0000 34031.3759 -149653.3128 297.2045 -183684.6887 -149565.6207 297.8784 68.1741 96.5947 555970.8660 3.0511 2.8774 PRESSURE: 2549600 19.7865 16.436 71.1132 16.4356 -21.5199 16.7505 71.1133 16.748 222.363 GPRESSURE: 2549600 41.2969 -74.5946 55.9541 30.6491 -19.7965 26.7549 77.9329 -74.5428 291.659 PRESSAVG: 2549600 -87.9291 57.9848 56.1767 57.9848 50.8784 -2.38663 56.1766 -2.38658 69.0673 GPRESSAVG: 2549600 -88.2173 58.8536 53.4529 58.227 51.0705 -2.03238 57.8043 -4.70377 69.0247 TIMING: 2549600 CPU: 7606.36, 0.00296049/step Wall: 7606.36, 0.00296049/step, 2.0151 hours remaining, 206.718750 MB of memory in use. ENERGY: 2549600 744.6258 2065.5805 1982.0079 116.2261 -206516.9416 17754.0172 0.0000 0.0000 34188.1427 -149666.3413 298.5736 -183854.4840 -149566.3744 298.4868 73.5433 104.3865 555290.1992 10.6722 10.6260 PRESSURE: 2549800 237.22 -3.84182 -0.0368613 -3.8438 73.2704 119.454 -0.0366951 119.455 138.085 GPRESSURE: 2549800 333.237 30.9026 -34.5313 -31.2361 34.4604 52.5828 55.5159 131.285 179.013 PRESSAVG: 2549800 -3.35161 89.7475 20.8508 89.7476 -67.9835 0.809817 20.8508 0.809791 55.5015 GPRESSAVG: 2549800 -2.89761 89.6985 22.2782 88.6109 -68.721 0.412081 20.5209 2.83047 56.2873 TIMING: 2549800 CPU: 7606.96, 0.00296277/step Wall: 7606.96, 0.00296277/step, 2.01649 hours remaining, 206.718750 MB of memory in use. ENERGY: 2549800 744.9292 2084.5268 1949.4226 110.6493 -206506.9097 18047.9977 0.0000 0.0000 34015.3650 -149554.0192 297.0646 -183569.3842 -149457.8940 298.1018 149.5253 182.2368 555941.1168 -5.2779 -5.1104 PRESSURE: 2550000 -146.395 -11.7352 -213.333 -11.7355 -251.197 72.1621 -213.332 72.1608 -290.918 GPRESSURE: 2550000 -151.885 19.3842 -179.036 -3.72546 -226.205 86.435 -244.359 44.2476 -214.252 PRESSAVG: 2550000 0.896431 13.4564 -17.1385 13.4564 -26.734 48.8676 -17.1386 48.8676 36.3667 GPRESSAVG: 2550000 -0.0194676 13.181 -16.6301 12.8158 -25.9488 47.5681 -15.827 49.3976 36.3736 TIMING: 2550000 CPU: 7607.55, 0.00296036/step Wall: 7607.55, 0.00296036/step, 2.01469 hours remaining, 206.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2550000 743.4795 2061.4063 1929.3791 110.3261 -206225.7971 17580.3841 0.0000 0.0000 34134.2033 -149666.6187 298.1025 -183800.8220 -149566.7375 298.5034 -229.5031 -197.4475 557110.9775 3.5097 3.4684 PRESSURE: 2550200 -122.587 -24.496 64.6368 -24.4959 162.745 -73.0279 64.636 -73.0296 -95.9941 GPRESSURE: 2550200 -83.4768 -33.5174 92.4192 -43.7313 209.007 21.8316 89.1455 -168.272 -74.3573 PRESSAVG: 2550200 38.0938 -9.60021 -45.9405 -9.60022 -24.8546 23.252 -45.9405 23.2518 31.3102 GPRESSAVG: 2550200 39.043 -10.4259 -48.7406 -8.81266 -25.5832 26.3951 -47.0133 19.5074 31.0797 TIMING: 2550200 CPU: 7608.14, 0.00295441/step Wall: 7608.14, 0.00295441/step, 2.01048 hours remaining, 206.718750 MB of memory in use. ENERGY: 2550200 747.8892 2101.0637 1954.2193 122.0512 -206502.6544 17818.8309 0.0000 0.0000 34306.5844 -149452.0158 299.6079 -183758.6001 -149356.8302 298.9897 -18.6120 17.0575 554937.2279 14.8498 14.8465 PRESSURE: 2550400 -114.628 -67.267 -30.6682 -67.2668 -300.462 -46.3063 -30.6668 -46.304 -202.185 GPRESSURE: 2550400 -110.125 -11.689 14.1809 -63.8443 -252.432 -99.4519 -12.0586 -17.9059 -147.865 PRESSAVG: 2550400 23.4939 -9.75014 17.2554 -9.75014 -2.72054 70.9499 17.2553 70.95 -17.8243 GPRESSAVG: 2550400 22.9367 -8.80744 19.969 -8.65143 -1.84714 67.3173 18.1452 73.131 -18.1923 TIMING: 2550400 CPU: 7608.73, 0.002952/step Wall: 7608.73, 0.002952/step, 2.00867 hours remaining, 206.718750 MB of memory in use. ENERGY: 2550400 744.4094 2088.3279 1916.6022 108.7953 -206339.2435 17640.1212 0.0000 0.0000 34245.7728 -149595.2147 299.0769 -183840.9875 -149491.3751 298.7256 -205.7583 -170.1407 556347.3486 0.9830 0.9658 PRESSURE: 2550600 70.3988 -66.0539 -149.951 -66.0539 -114.545 -100.521 -149.951 -100.522 359.236 GPRESSURE: 2550600 80.1058 -64.4553 -108.433 -110.81 -68.2564 -11.5245 -147.664 -147.232 413.571 PRESSAVG: 2550600 -44.6323 16.8143 -32.607 16.8144 86.1761 8.95675 -32.6071 8.95675 -29.487 GPRESSAVG: 2550600 -45.1653 14.9522 -31.9778 15.9989 86.495 8.83808 -31.3908 8.3906 -29.635 TIMING: 2550600 CPU: 7609.32, 0.00293217/step Wall: 7609.32, 0.00293217/step, 1.99501 hours remaining, 206.718750 MB of memory in use. ENERGY: 2550600 746.1420 2089.8663 1934.8423 111.5614 -206726.5142 18102.0218 0.0000 0.0000 34182.2691 -149559.8112 298.5223 -183742.0803 -149461.3643 298.6647 105.0299 141.8069 557937.1691 4.0189 3.8983 PRESSURE: 2550800 -210.943 -91.2825 -40.7945 -91.2831 -243.503 -283.016 -40.7935 -283.017 -111.361 GPRESSURE: 2550800 -167.776 -12.6343 -124.861 -123.281 -207.028 -238.268 -20.0813 -244.29 -89.8199 PRESSAVG: 2550800 20.0619 -8.27392 -23.6009 -8.27388 -31.8993 -19.5345 -23.6008 -19.5345 -33.4163 GPRESSAVG: 2550800 20.4875 -5.65416 -24.5233 -8.57942 -32.8167 -18.3436 -26.8383 -20.8808 -32.6214 TIMING: 2550800 CPU: 7609.9, 0.00293842/step Wall: 7609.9, 0.00293842/step, 1.99911 hours remaining, 206.718750 MB of memory in use. ENERGY: 2550800 754.4259 2171.8725 1951.4029 108.2008 -206276.2564 17604.6735 0.0000 0.0000 34216.7392 -149468.9416 298.8233 -183685.6808 -149370.3003 298.3899 -188.6020 -154.8748 557391.2154 -15.0846 -14.9835 PRESSURE: 2551000 44.9942 57.9466 -93.9153 57.9459 74.8463 -10.224 -93.9158 -10.2226 56.7962 GPRESSURE: 2551000 45.2429 159.478 -139.213 42.2863 110.809 28.7565 -71.3497 -55.6342 111.281 PRESSAVG: 2551000 -9.86689 -9.63879 -6.32948 -9.63891 13.3468 0.539074 -6.32952 0.539106 -0.594957 GPRESSAVG: 2551000 -10.7241 -10.543 -7.27897 -9.53578 14.4098 -0.0221361 -4.82212 0.580523 -0.43977 TIMING: 2551000 CPU: 7610.5, 0.00296739/step Wall: 7610.5, 0.00296739/step, 2.01865 hours remaining, 206.718750 MB of memory in use. ENERGY: 2551000 776.5836 2082.6149 1943.4761 111.8030 -206625.4999 18087.7075 0.0000 0.0000 34324.6950 -149298.6198 299.7661 -183623.3148 -149202.8532 298.9302 58.8789 89.1108 558287.7604 0.9617 1.0820 PRESSURE: 2551200 124.16 6.04225 -46.1564 6.04196 121.657 -38.6002 -46.1553 -38.601 104.573 GPRESSURE: 2551200 123.246 12.6606 -77.5492 -66.1814 172.979 -129.254 -42.9633 17.4027 143.126 PRESSAVG: 2551200 12.0902 35.8645 -19.1235 35.8644 28.7035 14.3677 -19.1235 14.3676 -10.3745 GPRESSAVG: 2551200 14.019 37.4843 -16.5554 34.1934 27.7356 14.8012 -20.6301 14.1591 -11.4854 TIMING: 2551200 CPU: 7611.09, 0.00293904/step Wall: 7611.09, 0.00293904/step, 1.9992 hours remaining, 206.718750 MB of memory in use. ENERGY: 2551200 750.4116 2089.3613 1928.1219 108.3795 -206362.1279 17970.3140 0.0000 0.0000 34365.7674 -149149.7721 300.1248 -183515.5395 -149054.7549 299.9397 116.7966 146.4501 555885.2352 10.1397 10.0897 PRESSURE: 2551400 189.604 140.637 -13.5489 140.636 214.233 16.7225 -13.5495 16.7221 134.794 GPRESSURE: 2551400 212.358 88.4019 -98.4956 225.121 245.693 6.51965 68.962 54.3544 170.893 PRESSAVG: 2551400 -28.4972 49.6868 25.3742 49.6866 -8.23696 -29.1134 25.3743 -29.1135 -7.24712 GPRESSAVG: 2551400 -28.314 50.2271 24.7751 51.4618 -8.66683 -27.1903 26.5159 -29.0395 -6.50757 TIMING: 2551400 CPU: 7611.68, 0.00295326/step Wall: 7611.68, 0.00295326/step, 2.00871 hours remaining, 206.718750 MB of memory in use. ENERGY: 2551400 741.7347 2082.2980 1937.4118 122.1937 -206504.2524 18036.3043 0.0000 0.0000 34307.1014 -149277.2086 299.6124 -183584.3100 -149178.3733 299.2842 179.5435 209.6481 555761.5334 -14.6604 -14.4961 PRESSURE: 2551600 -16.849 77.8179 -143.847 77.8178 -112.622 26.7637 -143.847 26.7641 13.4704 GPRESSURE: 2551600 15.3909 199.386 -101.206 70.7636 -65.6027 25.9274 -149.505 42.4627 47.7457 PRESSAVG: 2551600 37.508 74.8401 31.1583 74.8401 4.76069 -26.5349 31.1582 -26.5348 -25.8038 GPRESSAVG: 2551600 36.9689 73.7546 30.955 75.7927 5.16921 -27.122 29.9478 -27.3409 -25.7727 TIMING: 2551600 CPU: 7612.26, 0.00293978/step Wall: 7612.26, 0.00293978/step, 1.99938 hours remaining, 206.718750 MB of memory in use. ENERGY: 2551600 766.3021 2093.3485 1933.1844 98.2835 -206384.8151 17892.2146 0.0000 0.0000 34324.1999 -149277.2819 299.7618 -183601.4819 -149182.7186 299.1569 -38.6668 -0.8220 556811.6801 5.4883 5.4551 PRESSURE: 2551800 92.4068 -56.3048 -5.07181 -56.3045 149.859 -8.33794 -5.07247 -8.3387 115.468 GPRESSURE: 2551800 183.22 -67.5099 11.8475 -72.0771 161.874 -79.4432 6.81354 -26.1285 121.57 PRESSAVG: 2551800 17.6457 -6.35075 7.51938 -6.35074 5.86576 18.9691 7.51932 18.9693 5.84629 GPRESSAVG: 2551800 17.2599 -8.95581 7.63211 -5.99515 5.86433 15.6657 7.67823 19.8733 5.56221 TIMING: 2551800 CPU: 7612.86, 0.00295901/step Wall: 7612.86, 0.00295901/step, 2.01229 hours remaining, 206.718750 MB of memory in use. ENERGY: 2551800 713.2729 2075.7445 1917.8119 116.9341 -206190.9861 17955.3705 0.0000 0.0000 34192.5024 -149219.3500 298.6116 -183411.8524 -149120.2485 299.1399 119.2446 155.5546 557011.2526 9.7859 9.5621 PRESSURE: 2552000 44.9619 -241.577 28.1423 -241.577 -67.5896 -113.638 28.1426 -113.637 9.13948 GPRESSURE: 2552000 14.5998 -191.97 0.173175 -258.678 1.91899 -116.045 18.0938 -172.146 55.3243 PRESSAVG: 2552000 47.5695 -34.6095 -5.11795 -34.6096 -61.1956 0.308433 -5.118 0.308379 -1.80887 GPRESSAVG: 2552000 46.1898 -32.495 -4.43043 -33.9292 -60.7052 3.87095 -4.4018 -2.21032 -1.13286 TIMING: 2552000 CPU: 7613.45, 0.00294793/step Wall: 7613.45, 0.00294793/step, 2.00459 hours remaining, 206.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2552000 762.6680 2120.0955 1907.6852 108.2908 -206047.3674 17840.3509 0.0000 0.0000 34189.5799 -149118.6972 298.5861 -183308.2771 -149019.0954 299.3215 -4.4961 23.9477 558486.6335 -5.1450 -5.2161 PRESSURE: 2552200 -177.051 -41.3724 155.746 -41.3722 -122.579 -8.88743 155.747 -8.88757 -123.41 GPRESSURE: 2552200 -186.482 -26.1275 104.885 -59.5642 -75.6995 -7.8125 162.913 49.9002 -73.8635 PRESSAVG: 2552200 58.453 -16.5703 6.07334 -16.5702 -0.971475 77.3818 6.07332 77.3818 -56.4529 GPRESSAVG: 2552200 59.2543 -16.1516 4.24739 -18.4615 -1.62933 75.0877 7.93551 79.9496 -56.7901 TIMING: 2552200 CPU: 7614.03, 0.00293584/step Wall: 7614.03, 0.00293584/step, 1.99621 hours remaining, 206.718750 MB of memory in use. ENERGY: 2552200 762.1119 2097.3089 1944.9075 109.8187 -205768.4555 17695.8535 0.0000 0.0000 34039.0564 -149119.3986 297.2715 -183158.4550 -149026.2282 299.5237 -141.0134 -112.0149 558030.1664 0.3429 0.2783 LDB: ============= START OF LOAD BALANCING ============== 7617.57 LDB: ============== END OF LOAD BALANCING =============== 7617.57 LDB: =============== DONE WITH MIGRATION ================ 7617.58 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 7617.87 LDB: Largest compute 4773 load 0.029369 is 24.8% of average load 0.118243 LDB: Average compute 0.001735 is 1.5% of average load 0.118243 LDB: TIME 7617.87 LOAD: AVG 0.118243 MAX 0.200876 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.977 MB LDB: TIME 7617.87 LOAD: AVG 0.118243 MAX 0.200876 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.98 MB LDB: TIME 7617.87 LOAD: AVG 0.118243 MAX 0.200876 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.98 MB LDB: ============== END OF LOAD BALANCING =============== 7617.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7617.88 PRESSURE: 2552400 113.447 -88.2702 24.6746 -88.2697 268.941 -79.7519 24.6743 -79.7516 11.9419 GPRESSURE: 2552400 193.231 -29.4576 46.0073 -65.4219 275.25 -133.731 16.066 -2.64593 17.2793 PRESSAVG: 2552400 -56.7377 -30.338 7.4529 -30.338 71.4522 23.7762 7.45292 23.7763 -10.7186 GPRESSAVG: 2552400 -55.8747 -30.7704 7.34042 -30.8441 71.7339 26.3803 6.47696 23.4414 -12.2522 TIMING: 2552400 CPU: 7614.63, 0.00298029/step Wall: 7614.63, 0.00298029/step, 2.02627 hours remaining, 207.449219 MB of memory in use. ENERGY: 2552400 734.4839 2088.7652 1937.0771 108.5551 -206319.8571 18119.1121 0.0000 0.0000 34245.4610 -149086.4027 299.0741 -183331.8637 -148986.1295 299.0995 131.4433 161.9200 558898.2656 1.3320 1.2023 PRESSURE: 2552600 -48.5749 20.3658 46.7701 20.3674 -12.5853 -61.4195 46.7707 -61.4191 100.352 GPRESSURE: 2552600 -2.92378 39.2387 8.36199 29.4897 11.5675 -62.3669 17.8353 -86.0098 136.872 PRESSAVG: 2552600 31.9086 -32.5316 -13.4911 -32.5316 -28.1752 -37.7159 -13.4909 -37.7158 -23.5907 GPRESSAVG: 2552600 30.5169 -33.0688 -11.9108 -31.9496 -28.0848 -38.8561 -15.1201 -38.2711 -22.7583 TIMING: 2552600 CPU: 7615.21, 0.00292325/step Wall: 7615.21, 0.00292325/step, 1.98732 hours remaining, 207.652344 MB of memory in use. ENERGY: 2552600 746.3443 2073.0259 1963.7892 102.4432 -206066.8937 17896.2326 0.0000 0.0000 34157.5868 -149127.4716 298.3067 -183285.0584 -149028.2815 299.4848 13.0640 48.5051 558750.1721 -6.6191 -6.7754 PRESSURE: 2552800 219.851 10.9529 -59.4357 10.953 99.2176 38.7363 -59.4354 38.7369 67.0475 GPRESSURE: 2552800 254.675 -32.0854 -20.9018 64.1626 128.949 -0.336487 -42.4589 72.2198 94.7999 PRESSAVG: 2552800 13.5229 -9.80708 -55.9593 -9.80704 7.93179 2.20536 -55.9593 2.20542 -17.0134 GPRESSAVG: 2552800 13.9325 -8.39583 -56.4904 -9.92515 8.38619 2.53387 -54.8078 3.59686 -17.0323 TIMING: 2552800 CPU: 7615.8, 0.00295137/step Wall: 7615.8, 0.00295137/step, 2.00628 hours remaining, 207.652344 MB of memory in use. ENERGY: 2552800 739.6096 2115.0709 1923.0762 96.9923 -206270.8493 18017.8069 0.0000 0.0000 34190.0756 -149188.2179 298.5904 -183378.2935 -149100.8460 299.4929 128.7053 159.4746 559000.7327 1.4804 1.7621 PRESSURE: 2553000 -11.0016 135.22 159.244 135.222 -105.004 31.7693 159.244 31.7687 382.185 GPRESSURE: 2553000 -34.4185 56.5806 153.085 136.004 1.81485 62.8652 135.325 87.0804 376.046 PRESSAVG: 2553000 -71.2258 -24.4464 -48.8292 -24.4462 40.6512 12.6269 -48.8292 12.6269 31.7279 GPRESSAVG: 2553000 -71.5429 -25.9287 -49.5321 -23.2695 40.1441 10.5755 -49.1275 11.6756 32.155 TIMING: 2553000 CPU: 7616.39, 0.00295066/step Wall: 7616.39, 0.00295066/step, 2.00563 hours remaining, 207.652344 MB of memory in use. ENERGY: 2553000 722.8551 2153.7816 1936.2640 109.4829 -206130.0764 17825.0766 0.0000 0.0000 34314.0999 -149068.5163 299.6736 -183382.6162 -148967.2419 299.1877 88.7266 114.4807 557654.4780 0.3844 0.2521 PRESSURE: 2553200 222.046 -138.326 -36.33 -138.327 113.348 152.534 -36.33 152.533 -102.211 GPRESSURE: 2553200 218.758 -74.6615 -19.6969 -116.771 187.565 214.996 -102.633 90.0816 -79.0721 PRESSAVG: 2553200 -33.2352 -27.3773 -8.19739 -27.3773 -23.7465 -25.2091 -8.19736 -25.2092 70.6888 GPRESSAVG: 2553200 -34.3966 -25.9659 -8.33589 -28.6052 -22.4231 -25.3753 -8.08111 -24.5435 70.5545 TIMING: 2553200 CPU: 7616.98, 0.002944/step Wall: 7616.98, 0.002944/step, 2.00094 hours remaining, 207.652344 MB of memory in use. ENERGY: 2553200 766.7354 2078.7249 1940.5601 111.8539 -206361.3223 18100.2382 0.0000 0.0000 34205.7782 -149157.4316 298.7276 -183363.2098 -149061.8499 299.4549 77.7280 109.0838 557137.9297 4.5690 4.5783 PRESSURE: 2553400 -120.045 -96.2809 128.354 -96.2822 -5.53836 195.985 128.355 195.984 27.8943 GPRESSURE: 2553400 -86.4544 -32.5747 132.647 -81.1615 63.2232 170.761 91.1785 159.98 36.8389 PRESSAVG: 2553400 -55.3622 -48.55 -29.0137 -48.55 7.29364 45.7846 -29.0137 45.7846 6.16068 GPRESSAVG: 2553400 -54.5529 -48.6932 -29.8768 -48.1103 6.51736 44.9799 -28.2699 45.9229 6.37668 TIMING: 2553400 CPU: 7617.58, 0.00296732/step Wall: 7617.58, 0.00296732/step, 2.01663 hours remaining, 207.652344 MB of memory in use. ENERGY: 2553400 699.0674 2102.0821 1938.9530 117.4785 -205921.6888 17596.3021 0.0000 0.0000 34299.2661 -149168.5396 299.5440 -183467.8057 -149080.3263 299.3591 -32.5630 4.5359 557273.9157 -13.9693 -13.8863 PRESSURE: 2553600 80.3682 17.7766 71.0781 17.7781 28.1501 29.8527 71.0775 29.852 -109.814 GPRESSURE: 2553600 98.278 -57.0791 123.086 109.003 28.6312 81.2313 26.9311 4.63891 -28.6593 PRESSAVG: 2553600 28.5662 26.0556 16.3143 26.0557 10.3445 31.5485 16.3144 31.5486 -80.2997 GPRESSAVG: 2553600 28.8585 24.4022 17.5038 26.0357 9.98266 33.8254 16.0276 30.8269 -80.7496 TIMING: 2553600 CPU: 7618.17, 0.00294482/step Wall: 7618.17, 0.00294482/step, 2.00117 hours remaining, 207.652344 MB of memory in use. ENERGY: 2553600 742.0844 2067.1341 1922.6055 101.8748 -205914.2069 17588.5606 0.0000 0.0000 34214.9944 -149276.9531 298.8081 -183491.9475 -149184.1597 298.7622 -0.4321 32.7500 556098.3895 -13.7964 -13.9695 PRESSURE: 2553800 -182.627 125.08 140.278 125.08 71.3629 141.445 140.278 141.447 -119.962 GPRESSURE: 2553800 -141.551 94.2001 98.4709 185.472 70.5563 91.9283 100.373 253.288 -71.594 PRESSAVG: 2553800 14.9651 -46.5011 41.4844 -46.5012 22.2832 49.2721 41.4846 49.2721 -13.989 GPRESSAVG: 2553800 13.9659 -44.6913 42.923 -46.0602 22.2994 46.6698 41.1564 50.8685 -13.0167 TIMING: 2553800 CPU: 7618.75, 0.00294621/step Wall: 7618.75, 0.00294621/step, 2.00195 hours remaining, 207.652344 MB of memory in use. ENERGY: 2553800 759.3966 2094.6808 1929.6441 109.4223 -206164.7143 17728.9923 0.0000 0.0000 34231.3418 -149311.2363 298.9508 -183542.5781 -149221.6352 299.2419 -77.0753 -47.5296 557632.0136 7.7531 7.7496 PRESSURE: 2554000 364.753 -5.65978 13.5507 -5.65897 -239.148 96.6522 13.5512 96.6509 113.58 GPRESSURE: 2554000 344.822 -9.83202 52.7736 2.92158 -153.874 151.574 10.1891 16.319 149.171 PRESSAVG: 2554000 79.1906 -9.91979 26.4463 -9.91972 -59.0846 48.3685 26.4463 48.3687 -7.52509 GPRESSAVG: 2554000 79.7968 -10.5595 25.5795 -11.5608 -58.5749 49.4738 26.6781 47.52 -8.31523 TIMING: 2554000 CPU: 7619.34, 0.00294473/step Wall: 7619.34, 0.00294473/step, 2.00078 hours remaining, 207.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2554000 731.7534 2088.0863 1924.8731 107.4026 -206468.6486 17987.6701 0.0000 0.0000 34277.7694 -149351.0936 299.3563 -183628.8630 -149256.6960 298.8483 79.7280 113.3731 558003.4292 4.1936 4.3022 PRESSURE: 2554200 107.881 -55.7628 -58.9684 -55.7623 61.4008 221.543 -58.9658 221.543 -93.7252 GPRESSURE: 2554200 179.429 -112.779 -50.3624 -118.102 62.9608 197.368 -64.4854 156.922 -71.2832 PRESSAVG: 2554200 87.0332 6.39167 -28.4983 6.39169 -25.4102 -23.1573 -28.4983 -23.1573 -42.3865 GPRESSAVG: 2554200 88.3791 5.20891 -28.4391 5.86206 -27.1711 -20.9925 -28.5086 -24.6961 -42.2906 TIMING: 2554200 CPU: 7619.93, 0.00293023/step Wall: 7619.93, 0.00293023/step, 1.99076 hours remaining, 207.652344 MB of memory in use. ENERGY: 2554200 746.9405 2118.8965 1910.9127 106.3527 -206594.5627 17937.4737 0.0000 0.0000 34187.7970 -149586.1897 298.5705 -183773.9867 -149489.0412 298.6100 25.1856 57.0355 556705.5795 6.4122 6.3058 PRESSURE: 2554400 214.121 -33.0158 -113.591 -33.0159 -29.7923 111.726 -113.592 111.725 26.5343 GPRESSURE: 2554400 230.241 -88.6668 -155.674 52.9756 43.7241 73.364 -94.6838 98.755 37.9377 PRESSAVG: 2554400 96.003 -7.60631 21.7018 -7.60633 -29.8927 -16.6931 21.7019 -16.6931 -50.3229 GPRESSAVG: 2554400 94.5787 -4.62212 21.1193 -8.80153 -29.3853 -17.8024 22.5637 -16.5738 -49.7348 TIMING: 2554400 CPU: 7620.52, 0.00295732/step Wall: 7620.52, 0.00295732/step, 2.00901 hours remaining, 207.652344 MB of memory in use. ENERGY: 2554400 777.9372 2086.7060 1959.0121 106.5354 -206657.9562 18144.5777 0.0000 0.0000 34108.5705 -149474.6173 297.8786 -183583.1878 -149384.7757 297.6361 70.2876 103.9677 556411.9792 5.2625 5.1529 PRESSURE: 2554600 -69.607 24.7599 92.8409 24.7601 -264.407 -113.183 92.8394 -113.184 -86.1534 GPRESSURE: 2554600 -83.0928 109.147 99.5382 27.0852 -260.154 -121.335 -55.4193 -103.274 7.00469 PRESSAVG: 2554600 47.6476 29.0679 37.6308 29.068 24.6982 1.69979 37.6307 1.69989 -52.0811 GPRESSAVG: 2554600 47.6167 27.409 39.6173 30.7768 25.3022 1.48193 35.3845 4.85872 -52.9602 TIMING: 2554600 CPU: 7621.11, 0.00292325/step Wall: 7621.11, 0.00292325/step, 1.9857 hours remaining, 207.652344 MB of memory in use. ENERGY: 2554600 759.8708 2130.5918 1927.6091 119.4557 -206278.4907 17708.8606 0.0000 0.0000 34234.8411 -149397.2615 298.9814 -183632.1026 -149302.0349 298.6761 -140.0557 -112.0806 557330.5184 6.7549 6.6529 PRESSURE: 2554800 -221.447 -64.1183 -53.2468 -64.1162 -13.779 -112.761 -53.246 -112.762 137.455 GPRESSURE: 2554800 -186.063 -52.8051 -53.3853 -21.0554 52.5865 -98.7913 20.013 -129.382 141.253 PRESSAVG: 2554800 -32.1307 21.4929 33.7484 21.4928 33.2586 -14.5749 33.7484 -14.5749 21.9647 GPRESSAVG: 2554800 -31.9193 21.4031 30.8483 20.4781 32.3325 -13.3197 37.3577 -17.3352 22.8638 TIMING: 2554800 CPU: 7621.69, 0.00293707/step Wall: 7621.69, 0.00293707/step, 1.99492 hours remaining, 207.652344 MB of memory in use. ENERGY: 2554800 752.8570 2080.7017 1930.1429 116.3876 -206493.1234 17956.1529 0.0000 0.0000 34140.2772 -149516.6041 298.1555 -183656.8813 -149416.6053 298.9674 -32.5904 2.5922 556618.2462 7.6975 7.7590 PRESSURE: 2555000 -44.1635 137.111 29.1503 137.111 37.4943 -19.6148 29.1495 -19.6161 -133.169 GPRESSURE: 2555000 -15.3813 75.7154 6.71596 156.916 82.3638 -66.0257 10.4985 -24.8556 -125.302 PRESSAVG: 2555000 11.1854 42.6145 1.55727 42.6144 1.71774 13.8965 1.55731 13.8964 20.731 GPRESSAVG: 2555000 12.1551 41.9145 2.53345 44.3935 2.58287 10.4978 -0.335852 16.239 19.2807 TIMING: 2555000 CPU: 7622.28, 0.0029359/step Wall: 7622.28, 0.0029359/step, 1.99397 hours remaining, 207.652344 MB of memory in use. ENERGY: 2555000 733.2479 2098.8050 1940.3878 127.8956 -206013.8598 17634.7983 0.0000 0.0000 34216.2508 -149262.4744 298.8190 -183478.7252 -149171.3699 299.3280 -46.6127 -19.4400 556088.5279 11.2114 11.3396 PRESSURE: 2555200 5.12755 -13.0563 -89.2504 -13.0554 63.7044 14.0166 -89.2503 14.0148 -150.582 GPRESSURE: 2555200 54.9171 -3.74634 -169.389 -30.8868 97.1545 32.5662 -9.50228 67.3267 -123.753 PRESSAVG: 2555200 27.8686 18.5128 -42.6906 18.5128 22.9301 20.1044 -42.6906 20.1045 -37.9642 GPRESSAVG: 2555200 27.6745 17.9872 -45.7291 16.7258 21.0844 22.6003 -41.3205 17.3533 -36.021 TIMING: 2555200 CPU: 7622.87, 0.00295048/step Wall: 7622.87, 0.00295048/step, 2.0037 hours remaining, 207.652344 MB of memory in use. ENERGY: 2555200 714.9810 2153.3118 1938.4704 127.3221 -205856.7460 17537.9423 0.0000 0.0000 34253.8662 -149130.8521 299.1475 -183384.7183 -149031.6208 299.7157 -27.2499 9.4397 554540.2132 4.2782 4.2460 PRESSURE: 2555400 253.251 -56.1041 -142.651 -56.1049 352.702 34.3551 -142.65 34.3554 -169.74 GPRESSURE: 2555400 321 21.9121 -185.056 16.297 328.733 93.3548 -98.6302 -49.9386 -107.023 PRESSAVG: 2555400 22.9544 8.00817 -84.5542 8.00812 -4.43005 -7.78487 -84.5542 -7.78489 -17.0872 GPRESSAVG: 2555400 22.5848 7.41845 -79.6043 11.2054 -4.11647 -7.97682 -86.3449 -6.67581 -16.4291 TIMING: 2555400 CPU: 7623.46, 0.00295748/step Wall: 7623.46, 0.00295748/step, 2.00829 hours remaining, 207.652344 MB of memory in use. ENERGY: 2555400 775.0873 2135.8433 1923.1279 102.9157 -206598.2292 18085.7409 0.0000 0.0000 34299.2393 -149276.2748 299.5438 -183575.5141 -149178.9657 299.5253 145.4043 180.9033 553591.5686 0.4791 0.6797 PRESSURE: 2555600 -169.313 -13.8322 -112.5 -13.833 -257.796 -21.12 -112.498 -21.1192 39.9307 GPRESSURE: 2555600 -137.915 -56.4682 -36.0841 2.46203 -240.588 78.0759 -184.859 -51.0267 88.1535 PRESSAVG: 2555600 -51.5986 -0.613582 -7.34164 -0.613612 63.6839 16.4903 -7.34163 16.4903 44.8925 GPRESSAVG: 2555600 -50.0056 0.725404 -9.55853 -1.93547 64.2204 16.9602 -7.40222 15.5662 42.9461 TIMING: 2555600 CPU: 7624.05, 0.00295484/step Wall: 7624.05, 0.00295484/step, 2.00633 hours remaining, 207.652344 MB of memory in use. ENERGY: 2555600 739.6507 2093.5110 1888.8928 123.7039 -206197.5390 17512.4633 0.0000 0.0000 34455.2110 -149384.1064 300.9059 -183839.3174 -149284.8895 298.9286 -129.0595 -96.7833 554681.4858 18.9926 19.0536 PRESSURE: 2555800 -169.662 61.8076 20.4304 61.8072 -135.34 -63.4576 20.4305 -63.4578 -215.377 GPRESSURE: 2555800 -143.416 -21.1291 -136.6 24.8164 -90.2393 73.1439 82.7915 -131.526 -197.74 PRESSAVG: 2555800 -9.45603 3.60669 11.2902 3.60664 19.6065 -0.869147 11.2902 -0.869107 17.5858 GPRESSAVG: 2555800 -12.1956 4.69885 9.17816 2.87871 20.8712 0.0155654 12.9068 -1.56836 19.7054 TIMING: 2555800 CPU: 7624.64, 0.00293835/step Wall: 7624.64, 0.00293835/step, 1.99498 hours remaining, 207.652344 MB of memory in use. ENERGY: 2555800 717.3962 2152.0327 1957.7905 123.3466 -205957.4344 17402.5733 0.0000 0.0000 34185.4007 -149418.8943 298.5496 -183604.2951 -149314.3241 298.8537 -173.4597 -143.7983 557194.2585 9.2454 9.4603 PRESSURE: 2556000 -41.3337 123.295 -146.622 123.295 -190.737 102.868 -146.622 102.869 124.425 GPRESSURE: 2556000 -0.644562 111.142 -109.582 145.4 -142.42 158.232 -155.053 -9.34412 129.567 PRESSAVG: 2556000 16.8365 24.1476 -10.0982 24.1477 -15.8564 -14.9506 -10.0982 -14.9506 -8.27149 GPRESSAVG: 2556000 19.4248 23.7274 -5.9781 22.9294 -16.3062 -17.8737 -10.972 -11.8722 -10.7417 TIMING: 2556000 CPU: 7625.23, 0.00293987/step Wall: 7625.23, 0.00293987/step, 1.99585 hours remaining, 207.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2556000 703.6737 2131.8205 1949.0554 100.6673 -206664.8623 17733.8602 0.0000 0.0000 34408.6168 -149637.1684 300.4990 -184045.7852 -149539.4153 298.8068 -35.8819 -4.4992 556910.9363 -2.4305 -2.5410 PRESSURE: 2556200 3.94119 -161.56 -258.851 -161.561 17.1907 -36.084 -258.85 -36.0841 -106.237 GPRESSURE: 2556200 -17.4773 -119.955 -284.332 -170.597 111.393 -55.5701 -217.126 1.81003 -82.1985 PRESSAVG: 2556200 52.5607 26.1375 -53.2538 26.1375 -36.7157 6.66689 -53.2538 6.66677 -1.33511 GPRESSAVG: 2556200 51.2476 26.1517 -56.3477 27.6422 -36.4233 8.64733 -54.3409 6.01468 -0.0441606 TIMING: 2556200 CPU: 7625.82, 0.00296412/step Wall: 7625.82, 0.00296411/step, 2.01214 hours remaining, 207.652344 MB of memory in use. ENERGY: 2556200 746.0039 2018.2162 1939.2786 116.7199 -206491.7794 17769.7137 0.0000 0.0000 34132.1004 -149769.7468 298.0841 -183901.8471 -149666.6561 298.1463 -28.3684 3.9057 556094.7104 4.8366 4.9267 LDB: ============= START OF LOAD BALANCING ============== 7629.37 LDB: ============== END OF LOAD BALANCING =============== 7629.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7629.37 LDB: ============= START OF LOAD BALANCING ============== 7629.67 LDB: Largest compute 4773 load 0.028105 is 23.8% of average load 0.118276 LDB: Average compute 0.001728 is 1.5% of average load 0.118276 LDB: TIME 7629.67 LOAD: AVG 0.118276 MAX 0.201018 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.613 MB LDB: TIME 7629.67 LOAD: AVG 0.118276 MAX 0.201018 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.613 MB LDB: TIME 7629.67 LOAD: AVG 0.118276 MAX 0.201018 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7629.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7629.68 PRESSURE: 2556400 217.797 120.933 2.52739 120.932 24.6085 20.7363 2.52783 20.7371 -192.242 GPRESSURE: 2556400 251.742 58.5582 -53.1248 108.172 38.0238 63.3156 20.8998 -28.3432 -150.263 PRESSAVG: 2556400 55.8421 25.2143 -40.0911 25.2144 -12.3262 -44.8784 -40.0911 -44.8785 -14.4986 GPRESSAVG: 2556400 58.68 26.0846 -39.1783 24.1198 -13.1624 -45.1219 -40.6815 -46.2986 -17.1044 TIMING: 2556400 CPU: 7626.43, 0.00301983/step Wall: 7626.43, 0.00301983/step, 2.04979 hours remaining, 207.382812 MB of memory in use. ENERGY: 2556400 749.0436 2084.5073 1946.0878 102.9191 -206295.1193 17712.1378 0.0000 0.0000 34176.7393 -149523.6844 298.4740 -183700.4237 -149423.4044 298.7229 16.7212 46.5008 555091.0128 9.6725 9.4711 PRESSURE: 2556600 -17.4365 14.1834 14.039 14.1844 -297.913 136.903 14.0402 136.902 136.323 GPRESSURE: 2556600 -64.3743 -3.22864 -31.7986 0.671889 -224.367 175.994 49.2544 97.4372 196.989 PRESSAVG: 2556600 59.9157 74.5207 -42.6754 74.5206 -102.664 24.1073 -42.6754 24.1074 41.4399 GPRESSAVG: 2556600 57.4925 74.8933 -44.5613 73.5497 -102.849 24.2664 -39.1448 24.4399 44.3048 TIMING: 2556600 CPU: 7627.02, 0.00294961/step Wall: 7627.02, 0.00294961/step, 2.00197 hours remaining, 207.382812 MB of memory in use. ENERGY: 2556600 722.7526 2088.1714 1912.1231 111.6555 -206289.6741 17626.5038 0.0000 0.0000 34337.3724 -149491.0952 299.8768 -183828.4676 -149391.8490 299.1590 -59.6754 -30.5840 555779.9581 -0.4363 -0.3505 PRESSURE: 2556800 47.8889 186.101 -15.2006 186.099 -246.732 -54.0346 -15.2002 -54.035 160.171 GPRESSURE: 2556800 33.5997 193.64 -34.4791 133.864 -206.038 -80.4884 -9.74988 26.4562 225.544 PRESSAVG: 2556800 23.9532 8.48668 -18.4783 8.48664 -12.1701 63.9083 -18.4784 63.9083 41.3723 GPRESSAVG: 2556800 24.9125 6.48712 -14.6081 11.5908 -10.4227 64.4244 -20.6577 64.1867 39.1689 TIMING: 2556800 CPU: 7627.6, 0.00293656/step Wall: 7627.6, 0.00293656/step, 1.99295 hours remaining, 207.382812 MB of memory in use. ENERGY: 2556800 737.2538 2109.2660 1938.3917 116.5719 -206410.4087 17903.9153 0.0000 0.0000 34211.0637 -149393.9463 298.7737 -183605.0100 -149303.4836 298.7252 -12.8906 17.7019 556610.8272 17.7185 17.8862 PRESSURE: 2557000 -373.839 -102.163 -212.862 -102.163 -292.701 97.4803 -212.863 97.4805 -28.3938 GPRESSURE: 2557000 -307.568 -149.426 -181.036 -32.575 -290.81 117.358 -182.325 126.234 -15.6214 PRESSAVG: 2557000 -19.7503 30.2544 -4.72671 30.2543 24.3432 52.8714 -4.72669 52.8713 16.7429 GPRESSAVG: 2557000 -19.3621 32.9317 -6.56998 28.3363 22.1242 50.0998 -3.49612 52.9129 18.4361 TIMING: 2557000 CPU: 7628.19, 0.00293282/step Wall: 7628.19, 0.00293282/step, 1.99024 hours remaining, 207.382812 MB of memory in use. ENERGY: 2557000 744.9644 2127.1390 1924.0431 112.5425 -205829.9880 17431.2432 0.0000 0.0000 34039.4628 -149450.5930 297.2751 -183490.0558 -149362.4877 298.9147 -231.6444 -204.6665 556799.1595 7.1119 7.0661 PRESSURE: 2557200 104.62 30.3107 94.3186 30.3112 67.149 -120.601 94.3189 -120.6 -4.20486 GPRESSURE: 2557200 144.313 44.6942 76.7376 121.707 61.9645 -36.1817 128.008 -64.8322 51.5214 PRESSAVG: 2557200 14.547 7.36235 -24.431 7.3624 39.8189 21.0546 -24.431 21.0547 -33.981 GPRESSAVG: 2557200 14.0936 7.36495 -24.2354 8.26454 41.7812 22.2346 -24.4436 20.2896 -35.8275 TIMING: 2557200 CPU: 7628.78, 0.00294982/step Wall: 7628.78, 0.00294982/step, 2.00161 hours remaining, 207.382812 MB of memory in use. ENERGY: 2557200 700.5603 2073.8209 1943.2243 125.2657 -206320.9524 17694.8335 0.0000 0.0000 34440.3181 -149342.9296 300.7759 -183783.2477 -149242.9784 299.0986 55.8548 85.9330 556017.0929 6.7950 6.6824 PRESSURE: 2557400 -438.737 116.416 122.512 116.414 -57.2264 89.0458 122.511 89.0453 -293.543 GPRESSURE: 2557400 -356.927 121.151 155.002 45.4349 -29.162 -2.26797 46.2757 162.187 -303.285 PRESSAVG: 2557400 -32.7502 59.205 22.2762 59.2049 14.034 -34.733 22.2761 -34.7329 -11.7691 GPRESSAVG: 2557400 -33.5007 58.8904 21.5294 59.1855 13.5424 -34.8164 23.5931 -34.7316 -10.6434 TIMING: 2557400 CPU: 7629.37, 0.00296764/step Wall: 7629.37, 0.00296763/step, 2.01354 hours remaining, 207.382812 MB of memory in use. ENERGY: 2557400 819.7139 2111.2292 1954.4206 116.2729 -205941.1805 17443.5567 0.0000 0.0000 34067.9470 -149428.0401 297.5239 -183495.9871 -149329.2976 299.1688 -263.1689 -229.7912 558584.6846 -10.1618 -10.2006 PRESSURE: 2557600 -264.586 -14.612 34.1636 -14.6124 -283.726 -47.5359 34.1644 -47.5344 -193.042 GPRESSURE: 2557600 -256.256 -111.609 41.2385 54.9321 -198.635 -21.0284 26.4586 -58.8126 -188.335 PRESSAVG: 2557600 -22.5653 30.6755 5.23338 30.6754 -3.56943 -37.5403 5.23339 -37.5402 24.3979 GPRESSAVG: 2557600 -21.9837 30.9773 4.20425 31.7823 -3.63177 -38.0608 4.25688 -35.7737 23.8146 TIMING: 2557600 CPU: 7629.97, 0.00296662/step Wall: 7629.97, 0.00296662/step, 2.01269 hours remaining, 207.382812 MB of memory in use. ENERGY: 2557600 737.4862 2134.9645 1948.2677 100.2218 -206031.5022 17421.0858 0.0000 0.0000 34389.3735 -149300.1027 300.3310 -183689.4762 -149203.5993 299.3576 -247.1179 -214.4089 556942.2056 -0.5789 -0.6003 PRESSURE: 2557800 49.9986 91.843 125.93 91.8438 -212.323 -71.0032 125.93 -71.002 186.379 GPRESSURE: 2557800 103.885 60.2352 143.22 42.7326 -238.48 -25.1814 115.936 -25.4435 257.653 PRESSAVG: 2557800 5.83659 52.2244 -9.84111 52.2243 -66.6459 -12.324 -9.84105 -12.3241 64.1863 GPRESSAVG: 2557800 3.89414 52.8945 -7.73241 49.6892 -66.0734 -11.8861 -10.325 -15.3894 65.2889 TIMING: 2557800 CPU: 7630.56, 0.0029864/step Wall: 7630.56, 0.0029864/step, 2.02594 hours remaining, 207.382812 MB of memory in use. ENERGY: 2557800 749.8708 2084.0999 1932.2678 124.3920 -206083.4891 17709.9911 0.0000 0.0000 34134.3927 -149348.4748 298.1041 -183482.8675 -149249.4263 298.8977 8.0179 41.0191 557094.8493 1.1256 1.0366 PRESSURE: 2558000 -44.9721 -52.2848 129.841 -52.2856 -187.248 -42.6024 129.84 -42.603 -114.961 GPRESSURE: 2558000 34.0224 -86.4206 95.8516 -122.008 -158.317 -48.4455 108.921 -98.4212 -117.448 PRESSAVG: 2558000 13.7739 22.6278 63.4892 22.6278 -16.9402 -65.7714 63.4891 -65.7714 32.5049 GPRESSAVG: 2558000 15.5173 20.5176 63.7178 24.533 -16.9409 -65.4605 61.7053 -63.6316 30.9261 TIMING: 2558000 CPU: 7631.16, 0.0029798/step Wall: 7631.16, 0.0029798/step, 2.0213 hours remaining, 207.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2558000 763.6974 2095.9606 1936.8396 114.1374 -206502.9404 17763.5616 0.0000 0.0000 34434.6215 -149394.1222 300.7261 -183828.7437 -149295.0525 299.0588 -115.7269 -80.5808 557114.9520 9.7795 9.8342 PRESSURE: 2558200 6.12998 21.8655 -127.118 21.8654 -200.571 -9.08159 -127.119 -9.08215 -44.4363 GPRESSURE: 2558200 14.9088 -1.5444 -165.686 -21.1899 -153.681 53.2271 -79.7353 -63.3465 11.7322 PRESSAVG: 2558200 13.6331 -31.472 66.86 -31.4721 -3.20805 -73.3741 66.86 -73.3741 15.0549 GPRESSAVG: 2558200 13.6875 -28.6212 64.5324 -34.1681 -2.82736 -71.0677 69.2821 -73.6541 14.5884 TIMING: 2558200 CPU: 7631.75, 0.00295672/step Wall: 7631.75, 0.00295672/step, 2.00548 hours remaining, 207.382812 MB of memory in use. ENERGY: 2558200 765.6218 2030.8402 1952.5407 107.6880 -206307.9839 17809.9535 0.0000 0.0000 34353.6096 -149287.7301 300.0186 -183641.3397 -149187.1374 299.2831 -79.6258 -42.3466 558669.2707 8.4933 8.4828 PRESSURE: 2558400 159.906 -116.623 103.281 -116.624 -179.076 25.477 103.28 25.4771 -19.4232 GPRESSURE: 2558400 173.84 -56.1564 45.6277 -74.6613 -120.932 -28.2302 144.613 88.7833 6.21959 PRESSAVG: 2558400 -9.20376 9.94942 15.8537 9.94943 60.4965 2.39978 15.8537 2.39981 -30.5371 GPRESSAVG: 2558400 -9.71487 8.3146 16.5154 12.7134 60.1108 -0.0633073 14.9407 0.958577 -29.997 TIMING: 2558400 CPU: 7632.34, 0.00295313/step Wall: 7632.34, 0.00295313/step, 2.00288 hours remaining, 207.382812 MB of memory in use. ENERGY: 2558400 735.9037 2097.6282 1954.0744 121.3625 -206352.1065 17979.3123 0.0000 0.0000 34285.2713 -149178.5541 299.4218 -183463.8254 -149085.8929 299.8554 -12.8643 19.7092 558966.7209 6.9186 6.7997 PRESSURE: 2558600 -50.3588 -48.1231 97.3283 -48.1236 -4.31108 42.7068 97.3287 42.7073 254.602 GPRESSURE: 2558600 -1.79852 -121.767 170.362 -1.67341 10.7415 4.51241 91.424 46.9725 276.498 PRESSAVG: 2558600 -31.914 -7.1657 0.454516 -7.16575 -7.25382 54.2916 0.454529 54.2915 43.2231 GPRESSAVG: 2558600 -32.6358 -7.11307 1.75565 -8.03538 -6.50194 53.3491 1.16013 56.524 43.2836 TIMING: 2558600 CPU: 7632.93, 0.00293874/step Wall: 7632.93, 0.00293874/step, 1.99296 hours remaining, 207.382812 MB of memory in use. ENERGY: 2558600 724.3770 2178.4215 1930.6358 124.1516 -206099.5260 17720.2189 0.0000 0.0000 34295.9540 -149125.7672 299.5151 -183421.7212 -149025.3468 299.4973 66.6442 95.1471 558249.8775 1.3518 1.3819 PRESSURE: 2558800 -95.8932 -53.6911 4.39479 -53.6915 -115.284 71.1677 4.39491 71.1676 -131.064 GPRESSURE: 2558800 -100.772 -10.2824 -49.1519 -37.7616 -63.282 27.5843 44.1932 54.7755 -78.1506 PRESSAVG: 2558800 7.6661 -35.8419 42.7383 -35.842 26.4739 23.2667 42.7384 23.2668 -4.02905 GPRESSAVG: 2558800 7.682 -34.4764 40.2056 -37.2391 25.6414 24.6173 42.0508 22.0599 -3.40221 TIMING: 2558800 CPU: 7633.52, 0.00296086/step Wall: 7633.52, 0.00296086/step, 2.0078 hours remaining, 207.382812 MB of memory in use. ENERGY: 2558800 736.0391 2089.1185 1912.7596 99.1888 -206097.8909 17738.5053 0.0000 0.0000 34307.2052 -149215.0743 299.6134 -183522.2795 -149110.2260 299.7819 -114.0804 -80.7347 558878.3850 10.0370 9.9737 PRESSURE: 2559000 -56.4051 84.062 68.6634 84.0606 -219.832 -18.8309 68.6629 -18.8292 -2.38539 GPRESSURE: 2559000 -79.8251 42.2025 58.2477 72.9827 -177.036 46.9483 55.8239 -75.6036 69.5739 PRESSAVG: 2559000 43.2707 -12.6857 22.041 -12.6857 -31.4222 22.4275 22.041 22.4274 27.3483 GPRESSAVG: 2559000 43.6289 -14.2125 23.76 -11.4143 -31.4165 21.6265 22.625 21.8799 27.2346 TIMING: 2559000 CPU: 7634.11, 0.00294823/step Wall: 7634.11, 0.00294823/step, 1.99906 hours remaining, 207.382812 MB of memory in use. ENERGY: 2559000 746.7785 2143.9887 1931.2134 119.2434 -206005.1745 17606.0137 0.0000 0.0000 34189.3877 -149268.5492 298.5844 -183457.9370 -149180.0520 299.4547 -92.8742 -62.4292 556730.8174 13.0656 13.1490 PRESSURE: 2559200 -115.658 134.652 108.579 134.653 20.6988 28.6122 108.578 28.6125 102.234 GPRESSURE: 2559200 -42.683 130.144 162.78 188.257 37.5641 -3.4457 93.653 74.4782 107.505 PRESSAVG: 2559200 -8.46666 58.3353 -30.139 58.3351 1.4872 -32.9852 -30.1389 -32.9852 38.718 GPRESSAVG: 2559200 -8.74541 59.4604 -29.4563 57.0362 1.28647 -33.3457 -31.3305 -33.1565 39.4105 TIMING: 2559200 CPU: 7634.71, 0.00297105/step Wall: 7634.71, 0.00297105/step, 2.01437 hours remaining, 207.382812 MB of memory in use. ENERGY: 2559200 739.3582 2088.1034 1934.2336 105.5921 -205951.2550 17785.9413 0.0000 0.0000 34080.0251 -149218.0012 297.6293 -183298.0263 -149116.3650 299.1708 2.4248 34.1288 558392.3002 10.5795 10.6505 PRESSURE: 2559400 -9.34944 97.0743 81.4351 97.0738 97.2903 -44.3927 81.4351 -44.3917 -84.0477 GPRESSURE: 2559400 27.5851 181.623 118.912 96.4973 108.707 -4.11002 70.2412 -40.6916 -32.4533 PRESSAVG: 2559400 -30.5122 13.911 63.3875 13.9109 23.0598 -4.95674 63.3876 -4.95676 30.1647 GPRESSAVG: 2559400 -29.2707 10.7553 62.0542 15.8316 21.3429 -3.21323 64.7205 -4.58887 30.2294 TIMING: 2559400 CPU: 7635.29, 0.00293272/step Wall: 7635.29, 0.00293272/step, 1.98822 hours remaining, 207.382812 MB of memory in use. ENERGY: 2559400 729.8055 2065.7981 1952.9145 98.8892 -205870.2046 17713.4424 0.0000 0.0000 34204.9526 -149104.4023 298.7204 -183309.3550 -149008.0182 299.5659 1.2977 34.6129 558277.2050 7.5707 7.4338 PRESSURE: 2559600 -372.063 -123.894 11.2963 -123.894 -119.492 -77.8408 11.2964 -77.8418 62.0675 GPRESSURE: 2559600 -334.608 -112.834 -4.1823 -151.665 -145.529 -118.861 -35.9598 32.6182 158.503 PRESSAVG: 2559600 -19.0065 0.271437 9.39841 0.271398 10.0897 41.2418 9.39846 41.2418 13.8562 GPRESSAVG: 2559600 -18.8506 4.62126 11.6606 -3.2426 10.7504 41.7528 7.49477 40.3105 12.7064 TIMING: 2559600 CPU: 7635.88, 0.00293891/step Wall: 7635.88, 0.00293891/step, 1.99225 hours remaining, 207.382812 MB of memory in use. ENERGY: 2559600 758.6241 2032.8989 1934.7076 113.5622 -205659.6950 17553.3112 0.0000 0.0000 34224.0295 -149042.5615 298.8870 -183266.5911 -148949.0746 299.7089 -143.1625 -107.2114 557595.6449 1.6465 1.5354 PRESSURE: 2559800 -263.101 82.3575 35.7171 82.3563 -178.659 135.905 35.7174 135.905 302.597 GPRESSURE: 2559800 -251.243 52.2113 -15.8807 104.223 -132.354 131.91 73.2351 158.162 341.126 PRESSAVG: 2559800 -49.3589 -20.411 42.8744 -20.411 14.9985 39.7082 42.8744 39.7082 49.4574 GPRESSAVG: 2559800 -50.7866 -20.3388 41.3236 -19.4441 15.5298 38.7738 44.7553 40.9356 50.4616 TIMING: 2559800 CPU: 7636.47, 0.00293918/step Wall: 7636.47, 0.00293918/step, 1.99228 hours remaining, 207.382812 MB of memory in use. ENERGY: 2559800 725.7358 2079.3132 1955.4012 101.5714 -206145.4042 17879.8106 0.0000 0.0000 34231.1424 -149172.4295 298.9491 -183403.5720 -149082.0043 299.3573 -46.3876 -14.1570 559019.7326 5.0323 5.0683 PRESSURE: 2560000 125.466 74.4404 -12.2758 74.4408 -37.103 70.5928 -12.276 70.591 -104.739 GPRESSURE: 2560000 168.989 97.1196 -49.5006 88.2646 -32.2741 40.602 -67.5994 142.945 -71.3711 PRESSAVG: 2560000 -87.6923 5.41713 22.3583 5.41726 71.4598 48.7251 22.3582 48.7251 18.7068 GPRESSAVG: 2560000 -87.843 3.30429 21.5565 8.6614 71.713 50.4145 21.3641 46.7559 18.8281 TIMING: 2560000 CPU: 7637.06, 0.00294541/step Wall: 7637.06, 0.00294542/step, 1.99634 hours remaining, 207.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2560000 710.7416 2075.8944 1920.1081 99.9764 -206310.9660 17925.6381 0.0000 0.0000 34306.1356 -149272.4719 299.6040 -183578.6075 -149188.8001 298.4403 -5.4588 21.7812 557908.5862 0.8248 0.8993 PRESSURE: 2560200 -154.196 -52.9311 161.3 -52.9305 -84.4524 -27.3761 161.301 -27.3759 -18.3116 GPRESSURE: 2560200 -112.855 -92.1787 198.144 -37.1985 -46.0396 -46.3815 90.3866 -5.84398 17.6228 PRESSAVG: 2560200 28.6806 8.31026 68.9782 8.31027 55.9204 -27.7411 68.9782 -27.741 -13.2933 GPRESSAVG: 2560200 29.0328 8.99806 69.3608 6.03151 55.2497 -27.801 69.2577 -27.5841 -13.322 TIMING: 2560200 CPU: 7637.64, 0.00294301/step Wall: 7637.64, 0.00294301/step, 1.99454 hours remaining, 207.382812 MB of memory in use. ENERGY: 2560200 725.9059 2048.2660 1927.2184 117.2831 -205798.1184 17724.0868 0.0000 0.0000 33979.4689 -149275.8892 296.7512 -183255.3581 -149182.4452 297.8010 -85.6534 -47.0906 558822.7251 23.7692 23.6535 LDB: ============= START OF LOAD BALANCING ============== 7641.19 LDB: ============== END OF LOAD BALANCING =============== 7641.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7641.2 LDB: ============= START OF LOAD BALANCING ============== 7641.49 LDB: Largest compute 4773 load 0.027205 is 23.0% of average load 0.118275 LDB: Average compute 0.001724 is 1.5% of average load 0.118275 LDB: TIME 7641.49 LOAD: AVG 0.118275 MAX 0.20528 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.68 MB LDB: TIME 7641.49 LOAD: AVG 0.118275 MAX 0.20528 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.68 MB LDB: TIME 7641.49 LOAD: AVG 0.118275 MAX 0.20528 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.68 MB LDB: ============== END OF LOAD BALANCING =============== 7641.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7641.5 PRESSURE: 2560400 56.8084 -183.599 26.31 -183.599 62.1415 -118.249 26.3086 -118.25 10.2785 GPRESSURE: 2560400 36.4066 -145.956 29.8383 -159.641 103.533 -175.534 28.5635 -48.9823 90.756 PRESSAVG: 2560400 45.2127 8.4812 -6.24312 8.4812 -59.4522 2.57389 -6.24312 2.57385 -33.8988 GPRESSAVG: 2560400 44.536 7.55319 -4.82408 10.4155 -58.8473 0.774616 -7.57277 6.86724 -33.6317 TIMING: 2560400 CPU: 7638.25, 0.00302916/step Wall: 7638.25, 0.00302916/step, 2.05276 hours remaining, 206.167969 MB of memory in use. ENERGY: 2560400 765.7135 2098.5365 1939.6971 119.9485 -206376.2405 18157.6895 0.0000 0.0000 33971.6067 -149323.0485 296.6825 -183294.6552 -149237.1726 298.0127 43.0762 76.8985 559045.2191 -16.0461 -15.9810 PRESSURE: 2560600 200.647 -148.646 132.411 -148.646 112.913 -72.5053 132.41 -72.5067 125.849 GPRESSURE: 2560600 251.281 -133.525 75.0132 -184.05 121.824 -97.7845 81.3131 32.5234 159.297 PRESSAVG: 2560600 -24.4582 -34.2967 8.54256 -34.2967 -30.2454 -31.7144 8.54259 -31.7145 50.6476 GPRESSAVG: 2560600 -24.2067 -34.3564 7.59695 -35.6016 -29.9739 -31.4266 7.55828 -35.8845 50.1266 TIMING: 2560600 CPU: 7638.84, 0.00296158/step Wall: 7638.84, 0.00296158/step, 2.0068 hours remaining, 206.167969 MB of memory in use. ENERGY: 2560600 717.8301 2108.9136 1935.9267 114.1409 -206259.8758 17932.8592 0.0000 0.0000 34119.7702 -149330.4352 297.9764 -183450.2054 -149224.7206 298.6037 146.4694 177.4671 558308.0024 -1.3520 -1.3514 PRESSURE: 2560800 52.5458 -66.8834 -177.727 -66.8842 -38.3435 196.415 -177.728 196.416 -48.1369 GPRESSURE: 2560800 124.438 -56.5209 -227.74 -49.7258 -75.7504 176.513 -157.233 174.416 23.8546 PRESSAVG: 2560800 -1.44247 -8.76561 -10.5597 -8.76561 21.0374 -67.6265 -10.5598 -67.6265 9.08313 GPRESSAVG: 2560800 -0.778456 -7.69063 -10.7409 -8.78302 20.434 -66.9446 -8.96152 -65.3625 9.12037 TIMING: 2560800 CPU: 7639.44, 0.00297295/step Wall: 7639.44, 0.00297295/step, 2.01434 hours remaining, 206.167969 MB of memory in use. ENERGY: 2560800 713.5664 2118.3817 1931.1732 111.5298 -206337.3679 17856.0234 0.0000 0.0000 34395.0223 -149211.6710 300.3803 -183606.6933 -149117.5323 298.8263 -11.3115 24.1809 557701.2906 9.5593 9.5920 PRESSURE: 2561000 -187.997 18.5831 291.333 18.582 152.381 62.2608 291.332 62.2617 -128.289 GPRESSURE: 2561000 -150.722 -90.3745 300.845 145.238 146.383 66.1521 284.671 -13.1991 -62.9627 PRESSAVG: 2561000 -0.0147906 23.2801 8.25355 23.2802 -49.8927 -26.5128 8.25353 -26.5128 38.1817 GPRESSAVG: 2561000 0.965413 21.356 9.05449 24.8772 -49.8392 -25.7573 6.18318 -26.7762 37.4394 TIMING: 2561000 CPU: 7640.03, 0.00296449/step Wall: 7640.03, 0.00296449/step, 2.00844 hours remaining, 206.167969 MB of memory in use. ENERGY: 2561000 735.2378 2052.2435 1956.6397 111.8548 -205822.4073 17674.1889 0.0000 0.0000 34180.8767 -149111.3660 298.5101 -183292.2426 -149009.6259 299.2065 -54.6350 -22.4337 558674.6133 -3.9086 -3.8114 PRESSURE: 2561200 16.6978 -73.8911 71.2603 -73.8911 56.0601 3.89007 71.2601 3.88986 -202.952 GPRESSURE: 2561200 -7.64514 -77.9635 -10.3759 -86.7107 55.5725 82.7625 100.826 -70.5264 -89.7325 PRESSAVG: 2561200 -6.4348 11.6388 40.6127 11.6387 14.6421 -27.3029 40.6126 -27.303 54.5876 GPRESSAVG: 2561200 -7.06749 13.1944 39.2435 9.37226 14.6372 -27.5896 43.2546 -28.7561 55.1158 TIMING: 2561200 CPU: 7640.62, 0.00295138/step Wall: 7640.62, 0.00295138/step, 1.9994 hours remaining, 206.167969 MB of memory in use. ENERGY: 2561200 748.3301 2120.5701 1936.3964 117.4682 -206160.4014 17739.5630 0.0000 0.0000 34439.7195 -149058.3541 300.7706 -183498.0736 -148967.5992 299.6933 -43.3981 -13.9350 558393.4078 20.9316 20.8952 PRESSURE: 2561400 -16.5625 -75.8135 81.023 -75.8142 -126.346 -106.614 81.0228 -106.614 -209.619 GPRESSURE: 2561400 27.763 -95.8776 52.702 -51.8189 -72.4578 -146.702 134.091 -36.648 -203.344 PRESSAVG: 2561400 20.1482 -0.50625 17.4722 -0.506244 -38.889 12.1418 17.4722 12.1419 -21.807 GPRESSAVG: 2561400 20.9613 -1.20703 18.1648 0.577809 -38.75 13.1801 16.9071 13.166 -22.2283 TIMING: 2561400 CPU: 7641.21, 0.00295186/step Wall: 7641.21, 0.00295186/step, 1.99956 hours remaining, 206.167969 MB of memory in use. ENERGY: 2561400 786.9231 2102.8959 1962.0719 107.4127 -206262.1992 17798.4563 0.0000 0.0000 34409.5582 -149094.8812 300.5072 -183504.4394 -148994.2106 299.9523 -117.5090 -82.6797 559090.5370 -13.5160 -13.3390 PRESSURE: 2561600 -35.8779 66.9488 -51.8422 66.9476 -141.614 -125.016 -51.8423 -125.018 -90.686 GPRESSURE: 2561600 -25.5388 -76.062 -94.6981 83.2993 -135.736 -30.8412 -34.9274 -113.219 -14.188 PRESSAVG: 2561600 21.6609 18.4228 10.9422 18.4229 34.8446 21.7015 10.9422 21.7015 -63.1557 GPRESSAVG: 2561600 21.7148 18.1152 11.2405 19.8055 35.702 21.896 10.7489 20.8738 -64.3449 TIMING: 2561600 CPU: 7641.8, 0.00294795/step Wall: 7641.8, 0.00294795/step, 1.99674 hours remaining, 206.167969 MB of memory in use. ENERGY: 2561600 771.0060 2114.7050 1946.3473 104.8012 -206421.0050 17763.7177 0.0000 0.0000 34434.2430 -149286.1848 300.7228 -183720.4279 -149195.8924 299.2431 -89.3925 -58.4874 556461.9582 -2.2167 -2.3094 PRESSURE: 2561800 -141.939 139.332 106.289 139.333 34.9835 -79.9448 106.29 -79.9447 141.964 GPRESSURE: 2561800 -149.701 91.7711 138.637 163.916 54.4171 -133.072 145.337 -64.3381 211.558 PRESSAVG: 2561800 -44.0156 12.4005 -26.9528 12.4005 -12.8489 -38.5917 -26.9529 -38.5917 60.1013 GPRESSAVG: 2561800 -45.3931 10.8515 -26.6969 12.9207 -12.0826 -38.854 -25.7693 -37.8849 60.8569 TIMING: 2561800 CPU: 7642.4, 0.00297558/step Wall: 7642.4, 0.00297558/step, 2.01529 hours remaining, 206.167969 MB of memory in use. ENERGY: 2561800 733.5672 2081.3643 1922.1309 96.2146 -206434.1608 17879.5889 0.0000 0.0000 34162.5696 -149558.7253 298.3502 -183721.2949 -149454.8417 298.7676 11.6695 38.7580 556104.2315 1.0789 1.1271 PRESSURE: 2562000 26.5636 137.263 -85.1494 137.263 88.3479 37.441 -85.1502 37.4416 1.0498 GPRESSURE: 2562000 73.7092 75.2219 -53.0905 193.85 160.806 62.0239 -77.7136 59.8587 -20.0925 PRESSAVG: 2562000 -77.9684 -3.64133 -42.6198 -3.64116 90.6777 2.77836 -42.6198 2.77844 -0.349166 GPRESSAVG: 2562000 -77.7718 -2.82286 -43.0056 -5.27491 90.2518 1.45989 -43.9673 2.29487 -0.0198174 TIMING: 2562000 CPU: 7642.99, 0.00298135/step Wall: 7642.99, 0.00298135/step, 2.01904 hours remaining, 206.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2562000 766.4018 2095.0047 1951.8066 99.7045 -206554.7341 17961.5659 0.0000 0.0000 34205.0297 -149475.2209 298.7210 -183680.2506 -149386.4792 298.1597 38.6538 71.4742 556599.8479 4.1201 4.1534 PRESSURE: 2562200 147.064 -31.1246 62.3708 -31.125 -136.58 34.8127 62.3699 34.8138 26.8051 GPRESSURE: 2562200 170.867 -19.5795 42.0869 5.16456 -100.394 16.8095 6.17985 67.8643 78.4267 PRESSAVG: 2562200 21.7282 65.3589 -7.47575 65.3588 -30.4277 21.2777 -7.47566 21.2777 12.1231 GPRESSAVG: 2562200 21.1581 66.3161 -7.06901 63.9007 -30.1019 21.2048 -9.36879 22.4896 12.5358 TIMING: 2562200 CPU: 7643.58, 0.00294442/step Wall: 7643.58, 0.00294442/step, 1.99386 hours remaining, 206.167969 MB of memory in use. ENERGY: 2562200 756.1413 2109.3056 1942.3868 112.4909 -206391.7440 17917.7106 0.0000 0.0000 34231.7562 -149321.9526 298.9544 -183553.7088 -149229.0710 298.4932 12.4298 49.6332 556665.4041 1.1412 1.1973 PRESSURE: 2562400 -76.4565 38.6218 -47.9596 38.6226 -101.379 104.233 -47.9594 104.234 -249.091 GPRESSURE: 2562400 -55.9259 30.1007 -28.9997 -19.3076 -94.0889 99.3839 -50.6061 168.205 -178.508 PRESSAVG: 2562400 -76.0317 6.38993 12.95 6.38991 15.1246 22.3288 12.9499 22.3288 76.6141 GPRESSAVG: 2562400 -76.2188 5.45847 11.3363 8.03202 15.5076 22.9445 15.9236 21.568 76.2063 TIMING: 2562400 CPU: 7644.17, 0.00294843/step Wall: 7644.17, 0.00294843/step, 1.99642 hours remaining, 206.167969 MB of memory in use. ENERGY: 2562400 776.2580 2091.3010 1932.4262 102.0496 -206251.8543 17786.0406 0.0000 0.0000 34339.7654 -149224.0136 299.8977 -183563.7790 -149124.9716 298.8573 -142.3089 -109.5076 557619.9168 5.2357 5.1650 PRESSURE: 2562600 -129.035 97.939 34.0295 97.9389 -37.724 -62.8346 34.0288 -62.8341 -112.664 GPRESSURE: 2562600 -47.9723 67.9327 -73.9458 91.4228 6.31413 -64.7802 -74.8404 -153.319 -143.692 PRESSAVG: 2562600 89.4614 18.5226 4.52206 18.5227 -27.5582 2.82964 4.52219 2.8297 -23.4556 GPRESSAVG: 2562600 89.6153 19.2065 5.22347 17.7483 -28.3626 2.51976 5.6015 2.7145 -22.9012 TIMING: 2562600 CPU: 7644.76, 0.00293629/step Wall: 7644.76, 0.00293629/step, 1.98803 hours remaining, 206.167969 MB of memory in use. ENERGY: 2562600 737.6661 2063.1413 1933.7681 124.9884 -206404.0773 17846.9299 0.0000 0.0000 34366.3317 -149331.2519 300.1297 -183697.5836 -149237.9996 299.4409 -93.1413 -61.7835 557724.8217 12.8159 12.7838 PRESSURE: 2562800 -89.2428 -61.7306 83.6093 -61.7317 -18.2663 -96.4239 83.6095 -96.4242 -166.876 GPRESSURE: 2562800 -40.4541 -37.8558 92.8254 -107.871 5.58775 -46.3781 43.8976 -51.1435 -143.402 PRESSAVG: 2562800 11.2563 10.7233 -21.763 10.7234 18.2888 24.2355 -21.763 24.2355 -28.1245 GPRESSAVG: 2562800 11.7567 12.0927 -21.0085 9.8681 18.6572 22.4887 -23.3073 26.0844 -28.905 TIMING: 2562800 CPU: 7645.35, 0.00297911/step Wall: 7645.35, 0.00297911/step, 2.01686 hours remaining, 206.167969 MB of memory in use. ENERGY: 2562800 730.7199 2089.4083 1938.1080 120.2691 -206284.7380 17814.9237 0.0000 0.0000 34166.1971 -149425.1119 298.3819 -183591.3089 -149334.5916 298.7804 -91.4618 -59.4229 558689.8543 0.4735 0.5030 PRESSURE: 2563000 -69.6631 33.6058 117.075 33.6065 94.2699 -43.5014 117.075 -43.5022 108.204 GPRESSURE: 2563000 -59.932 23.2439 164.504 74.8338 114.25 -147.717 98.9868 33.4579 166.89 PRESSAVG: 2563000 -19.3525 85.2107 -17.3355 85.2106 4.06936 -5.65681 -17.3356 -5.6568 39.1423 GPRESSAVG: 2563000 -19.9778 81.8477 -18.2087 87.2691 3.97995 -4.46136 -16.5069 -6.62071 39.1225 TIMING: 2563000 CPU: 7645.95, 0.00297254/step Wall: 7645.95, 0.00297254/step, 2.01224 hours remaining, 206.167969 MB of memory in use. ENERGY: 2563000 753.3883 2112.7149 1928.2455 107.5756 -206478.1797 18025.7648 0.0000 0.0000 34318.7127 -149231.7777 299.7139 -183550.4904 -149131.5240 299.9781 44.2702 73.7358 557945.0676 7.9531 7.7082 PRESSURE: 2563200 72.3715 163.686 47.7704 163.686 106.006 135.323 47.7704 135.321 32.2382 GPRESSURE: 2563200 55.6542 121.813 87.9819 209.77 151.215 144.03 59.1857 77.0589 89.6933 PRESSAVG: 2563200 -33.3492 -3.29762 4.32173 -3.29759 -10.6646 -3.21891 4.3217 -3.2189 50.0257 GPRESSAVG: 2563200 -31.8584 -3.35718 3.85773 -3.72394 -12.3866 -2.31708 3.47536 -3.9869 49.6872 TIMING: 2563200 CPU: 7646.54, 0.00295911/step Wall: 7646.54, 0.00295911/step, 2.00299 hours remaining, 206.167969 MB of memory in use. ENERGY: 2563200 732.5757 2122.8539 1957.8187 108.8460 -206252.5795 17943.7056 0.0000 0.0000 34109.5359 -149277.2436 297.8871 -183386.7795 -149175.2185 300.0411 70.2053 98.8542 558541.2822 2.0040 1.8141 PRESSURE: 2563400 -20.2289 -2.00194 88.0043 -2.00311 187.388 -85.2959 88.0044 -85.2961 142.601 GPRESSURE: 2563400 -22.5197 -23.9716 70.3969 12.6854 248.273 -12.4974 56.3183 -122.455 183.429 PRESSAVG: 2563400 10.1641 -19.6815 4.4863 -19.6815 -0.269103 13.5878 4.48632 13.5879 30.4308 GPRESSAVG: 2563400 8.69851 -18.1372 6.69874 -20.6833 -0.277087 16.3098 5.20023 11.3436 31.3617 TIMING: 2563400 CPU: 7647.13, 0.00296799/step Wall: 7647.13, 0.00296799/step, 2.00883 hours remaining, 206.167969 MB of memory in use. ENERGY: 2563400 741.1952 2115.6055 1944.3797 101.0771 -206633.4485 18044.5988 0.0000 0.0000 34296.5023 -149390.0899 299.5199 -183686.5922 -149294.1257 299.9246 103.2535 136.3943 556068.3876 13.4419 13.2610 PRESSURE: 2563600 -37.9596 -70.1059 58.562 -70.1068 347.726 -132.93 58.5623 -132.93 66.698 GPRESSURE: 2563600 -37.2737 -16.4643 26.4862 -33.0703 314.328 -75.5238 133.56 -138.723 194.461 PRESSAVG: 2563600 -25.8383 -8.19764 -24.6838 -8.19773 -5.93652 -3.26426 -24.6838 -3.26419 -15.3671 GPRESSAVG: 2563600 -24.9887 -8.03805 -27.6064 -6.98285 -6.25703 -5.97852 -24.708 0.226871 -15.9005 TIMING: 2563600 CPU: 7647.73, 0.00296391/step Wall: 7647.73, 0.00296391/step, 2.00591 hours remaining, 206.167969 MB of memory in use. ENERGY: 2563600 739.1487 2088.6239 1950.0692 126.7195 -206544.9945 17967.0439 0.0000 0.0000 34321.4213 -149351.9681 299.7375 -183673.3893 -149255.7809 298.6873 125.4880 157.1716 557876.9379 -15.7140 -15.7154 PRESSURE: 2563800 0.468668 -30.3362 -118.085 -30.3364 -74.1549 -137.183 -118.086 -137.182 -46.6151 GPRESSURE: 2563800 13.967 45.5038 -179.693 -132.992 11.5968 -72.856 -7.6007 -126.38 -38.5593 PRESSAVG: 2563800 29.2215 -27.1783 15.2457 -27.1783 38.1547 4.06317 15.2457 4.06311 -22.9184 GPRESSAVG: 2563800 29.4408 -27.2891 17.0757 -27.9874 38.561 4.61597 15.1301 3.72954 -22.9642 TIMING: 2563800 CPU: 7648.32, 0.00295991/step Wall: 7648.32, 0.00295991/step, 2.00303 hours remaining, 206.167969 MB of memory in use. ENERGY: 2563800 722.6974 2074.0091 1938.0176 118.6254 -205948.6905 17539.6626 0.0000 0.0000 34364.1892 -149191.4893 300.1110 -183555.6785 -149102.5637 299.5338 -40.1004 -4.3318 556518.1019 14.8193 15.0125 PRESSURE: 2564000 -120.391 60.0637 -86.1606 60.0636 -355.317 80.5994 -86.1618 80.6001 -364.227 GPRESSURE: 2564000 -39.2186 -0.122925 -100.884 199.054 -344.043 6.10303 -81.5993 85.9081 -352.867 PRESSAVG: 2564000 60.8558 -26.0732 36.5035 -26.0731 -86.6575 14.2019 36.5034 14.2019 -8.273 GPRESSAVG: 2564000 59.8364 -27.1444 34.7648 -24.1351 -85.7839 13.4701 36.3112 14.7862 -7.78667 TIMING: 2564000 CPU: 7648.91, 0.00297016/step Wall: 7648.91, 0.00297015/step, 2.0098 hours remaining, 206.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2564000 748.4921 2156.0452 1935.7248 108.7355 -205411.9464 17329.8424 0.0000 0.0000 33999.5505 -149133.5558 296.9265 -183133.1063 -149036.2626 299.4586 -279.9783 -245.3763 557586.4129 -11.3582 -11.2447 PRESSURE: 2564200 -306.012 -0.700888 -29.2098 -0.700592 -429.404 -258.625 -29.209 -258.626 -263.372 GPRESSURE: 2564200 -305.003 74.8183 -67.3276 -30.8024 -355.413 -257.441 -114.698 -321.228 -233.873 PRESSAVG: 2564200 7.11249 -6.30329 -8.19563 -6.30332 17.1317 -49.5632 -8.19569 -49.5632 4.47101 GPRESSAVG: 2564200 8.21046 -5.2478 -5.22691 -7.24751 16.2732 -47.5845 -9.13301 -49.7434 4.16621 TIMING: 2564200 CPU: 7649.5, 0.00294424/step Wall: 7649.5, 0.00294424/step, 1.9921 hours remaining, 206.167969 MB of memory in use. ENERGY: 2564200 738.4361 2147.9808 1932.5938 134.7062 -205552.6915 17161.6234 0.0000 0.0000 34466.8112 -148970.5400 301.0072 -183437.3512 -148875.3560 299.9571 -332.9293 -298.0965 557595.5312 9.5717 9.5500 LDB: ============= START OF LOAD BALANCING ============== 7653.05 LDB: ============== END OF LOAD BALANCING =============== 7653.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7653.05 LDB: ============= START OF LOAD BALANCING ============== 7653.34 LDB: Largest compute 4773 load 0.028151 is 23.8% of average load 0.118213 LDB: Average compute 0.001730 is 1.5% of average load 0.118213 LDB: TIME 7653.35 LOAD: AVG 0.118213 MAX 0.202506 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.68 MB LDB: TIME 7653.35 LOAD: AVG 0.118213 MAX 0.202506 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: TIME 7653.35 LOAD: AVG 0.118213 MAX 0.202506 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7653.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7653.35 PRESSURE: 2564400 -213.944 16.6261 -148.771 16.6258 -95.2788 -50.0307 -148.772 -50.0296 -216.605 GPRESSURE: 2564400 -164.873 4.4799 -145.06 41.6578 -72.2414 -100.341 -158.921 -101.526 -188.785 PRESSAVG: 2564400 -14.7756 15.8004 8.43255 15.8004 22.1067 -9.87332 8.43258 -9.8733 -19.021 GPRESSAVG: 2564400 -15.5535 15.6149 6.27861 18.2809 22.1276 -10.044 10.5882 -10.6368 -18.1329 TIMING: 2564400 CPU: 7650.1, 0.00301054/step Wall: 7650.1, 0.00301054/step, 2.03679 hours remaining, 207.742188 MB of memory in use. ENERGY: 2564400 742.8586 2142.3218 1906.3565 101.2472 -205270.6062 17222.6722 0.0000 0.0000 34149.9845 -149005.1655 298.2403 -183155.1500 -148905.5006 299.6095 -175.2758 -141.9666 558365.0666 -3.8967 -3.8529 PRESSURE: 2564600 -251.827 14.8201 111.224 14.8185 -210.705 -79.4619 111.224 -79.4631 -190.515 GPRESSURE: 2564600 -212.801 -11.4927 91.8634 -59.6413 -139.609 4.07609 80.9459 -166.868 -187.317 PRESSAVG: 2564600 -12.8921 -46.4435 -22.1228 -46.4436 2.88184 -47.6634 -22.1228 -47.6634 -12.9359 GPRESSAVG: 2564600 -13.5587 -46.3136 -22.2103 -50.6432 3.64593 -46.9361 -23.1165 -45.6774 -13.0838 TIMING: 2564600 CPU: 7650.69, 0.00294927/step Wall: 7650.69, 0.00294927/step, 1.99518 hours remaining, 207.945312 MB of memory in use. ENERGY: 2564600 753.8334 2090.7056 1928.4395 106.8797 -206028.2670 17654.7143 0.0000 0.0000 34522.7408 -148970.9537 301.4957 -183493.6945 -148872.5291 300.1503 -217.6822 -179.9088 556865.4064 -7.6487 -7.6655 PRESSURE: 2564800 40.4341 2.72993 115.84 2.72908 167.781 -123.048 115.839 -123.049 84.166 GPRESSURE: 2564800 87.1615 -53.8955 174.708 27.7603 129.715 -70.4793 110.042 -134.465 181.834 PRESSAVG: 2564800 -6.04481 -35.5174 -18.8786 -35.5175 11.9746 -48.2865 -18.8785 -48.2866 20.8878 GPRESSAVG: 2564800 -5.7732 -35.781 -20.055 -34.3864 12.0694 -49.8257 -17.7151 -47.9861 20.2437 TIMING: 2564800 CPU: 7651.29, 0.00298221/step Wall: 7651.29, 0.00298221/step, 2.0173 hours remaining, 207.945312 MB of memory in use. ENERGY: 2564800 740.7465 2067.4486 1933.6058 104.4301 -206372.3366 18061.5035 0.0000 0.0000 34270.3671 -149194.2350 299.2916 -183464.6020 -149102.0328 299.5606 97.4604 132.9035 557575.9684 8.9392 8.8467 PRESSURE: 2565000 136.45 104.195 58.6272 104.195 -22.4062 216.235 58.6278 216.236 -12.6611 GPRESSURE: 2565000 147.593 22.1046 54.7221 78.4002 -22.4793 210.107 77.3944 163.087 71.7595 PRESSAVG: 2565000 16.6113 45.2943 18.0684 45.2942 0.920294 -13.2999 18.0685 -13.3 -20.999 GPRESSAVG: 2565000 17.5162 47.1684 22.0327 45.0105 -0.38001 -12.4915 14.8236 -15.1029 -21.128 TIMING: 2565000 CPU: 7651.88, 0.00296086/step Wall: 7651.88, 0.00296086/step, 2.00269 hours remaining, 207.945312 MB of memory in use. ENERGY: 2565000 718.6774 2122.3302 1951.7635 105.2504 -206352.8916 17854.5611 0.0000 0.0000 34284.0578 -149316.2511 299.4112 -183600.3089 -149224.2559 299.1104 33.7944 65.6245 556757.4208 -1.1558 -1.3306 PRESSURE: 2565200 177.166 -19.7106 32.0078 -19.7109 -314.708 -62.9444 32.0074 -62.9444 14.7733 GPRESSURE: 2565200 183.862 -54.6586 3.0021 -67.3894 -284.237 -22.4618 -35.116 -6.6169 73.0192 PRESSAVG: 2565200 -43.0801 29.0572 5.18184 29.0571 -59.8165 23.1129 5.18184 23.113 99.646 GPRESSAVG: 2565200 -43.936 25.9896 4.06597 29.7117 -60.4181 20.645 5.92546 24.4823 101.161 TIMING: 2565200 CPU: 7652.47, 0.00295898/step Wall: 7652.47, 0.00295898/step, 2.00126 hours remaining, 207.945312 MB of memory in use. ENERGY: 2565200 767.3188 2096.4911 1959.3350 120.1219 -206158.0515 17678.0531 0.0000 0.0000 34200.1363 -149336.5954 298.6783 -183536.7316 -149235.3448 298.9170 -40.9230 -9.1187 557590.9564 -1.0835 -1.0643 PRESSURE: 2565400 79.1852 27.6868 22.8594 27.6885 -218.847 28.5974 22.8592 28.5975 55.2697 GPRESSURE: 2565400 103.939 -83.0658 27.7634 70.0145 -166.252 93.0914 32.4318 -16.9287 76.0082 PRESSAVG: 2565400 24.1198 33.6462 1.12375 33.6462 -43.9464 -2.46482 1.12382 -2.46468 28.3224 GPRESSAVG: 2565400 24.901 36.2405 1.10102 34.9491 -43.6348 -0.708144 1.34348 -2.7917 27.5629 TIMING: 2565400 CPU: 7653.07, 0.00296299/step Wall: 7653.07, 0.00296299/step, 2.00381 hours remaining, 207.945312 MB of memory in use. ENERGY: 2565400 719.1779 2052.1911 1946.5157 120.0763 -206043.6343 17747.5426 0.0000 0.0000 34205.6700 -149252.4606 298.7266 -183458.1306 -149157.7228 299.0721 -28.1306 4.5650 557146.8471 2.8319 2.9430 PRESSURE: 2565600 233.116 -96.2172 19.8516 -96.2167 193.988 -10.8587 19.8531 -10.8579 -53.16 GPRESSURE: 2565600 234.915 -44.4529 -77.0412 -166.626 256.913 -42.171 22.2623 -56.0054 -19.1442 PRESSAVG: 2565600 -11.984 26.2012 25.6281 26.2012 16.2517 -15.5915 25.6281 -15.5916 40.3171 GPRESSAVG: 2565600 -12.9824 25.0701 25.2625 24.6552 17.6922 -15.8529 26.7249 -15.2922 40.0634 TIMING: 2565600 CPU: 7653.66, 0.00294898/step Wall: 7653.66, 0.00294898/step, 1.99416 hours remaining, 207.945312 MB of memory in use. ENERGY: 2565600 717.5991 2102.9624 1951.5189 122.2974 -206183.8757 17876.7947 0.0000 0.0000 34315.7588 -149096.9444 299.6881 -183412.7032 -148999.3400 299.6840 124.6480 157.5615 556635.1567 14.8616 14.9244 PRESSURE: 2565800 -83.4245 -123.797 85.2754 -123.797 25.1424 12.2336 85.2764 12.2337 -76.3762 GPRESSURE: 2565800 -71.5047 -64.631 93.7261 -117.095 67.0934 2.41265 97.4738 -6.7825 -43.3198 PRESSAVG: 2565800 34.5088 -12.5688 36.0196 -12.5688 18.5175 67.9021 36.0196 67.9022 -51.0776 GPRESSAVG: 2565800 34.5075 -14.8303 32.6771 -10.8281 17.3951 68.7139 37.3218 65.6377 -50.3691 TIMING: 2565800 CPU: 7654.24, 0.00293478/step Wall: 7654.24, 0.00293478/step, 1.9844 hours remaining, 207.945312 MB of memory in use. ENERGY: 2565800 780.9538 2079.9498 1922.9929 114.7638 -205563.4602 17522.0275 0.0000 0.0000 34099.1388 -149043.6336 297.7963 -183142.7724 -148948.5645 299.3394 -44.8861 -15.9104 557116.8734 0.6496 0.5112 PRESSURE: 2566000 -195.175 88.972 74.092 88.9718 -318.142 63.6665 74.091 63.6658 -337.516 GPRESSURE: 2566000 -132.985 217.352 27.0119 11.1378 -295.874 94.539 94.2657 100.645 -333.116 PRESSAVG: 2566000 52.1387 -10.1739 34.179 -10.1739 -34.17 -5.71179 34.179 -5.71172 -9.98534 GPRESSAVG: 2566000 52.7811 -8.82456 37.5346 -13.3575 -34.3691 -7.31135 31.2657 -3.76029 -10.7443 TIMING: 2566000 CPU: 7654.83, 0.00294935/step Wall: 7654.83, 0.00294935/step, 1.99409 hours remaining, 207.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2566000 746.8913 2130.4882 1918.7491 111.0464 -205733.5655 17368.5865 0.0000 0.0000 34426.7292 -149031.0749 300.6572 -183457.8041 -148932.3268 300.4491 -283.6109 -253.9915 559388.9208 2.6611 2.5559 PRESSURE: 2566200 -235.062 35.596 16.4 35.5971 254.162 211.325 16.399 211.326 -184.692 GPRESSURE: 2566200 -160.7 -29.6049 -87.5837 43.8237 280.216 229.886 27.4101 194.442 -181.768 PRESSAVG: 2566200 16.8211 -7.93994 7.33532 -7.9399 11.0701 32.9572 7.3353 32.957 -33.7941 GPRESSAVG: 2566200 16.1382 -9.0181 6.6542 -6.03367 12.3059 33.145 9.39019 34.5648 -34.0387 TIMING: 2566200 CPU: 7655.43, 0.0029616/step Wall: 7655.43, 0.0029616/step, 2.0022 hours remaining, 207.945312 MB of memory in use. ENERGY: 2566200 776.6208 2081.4530 1947.2892 125.4406 -205586.6681 17560.4990 0.0000 0.0000 34104.4147 -148990.9508 297.8423 -183095.3655 -148890.3486 299.7519 -55.1971 -20.7507 557590.6843 -1.9677 -1.8649 PRESSURE: 2566400 -312.892 8.47564 142.47 8.47556 -194.939 98.38 142.471 98.381 -134.048 GPRESSURE: 2566400 -268.59 48.7293 123.39 -42.9143 -127.718 51.3227 188.605 82.3783 -142.249 PRESSAVG: 2566400 -39.4866 -44.8362 41.9004 -44.8363 15.1523 83.1457 41.9003 83.1458 28.1617 GPRESSAVG: 2566400 -41.2406 -43.2908 39.4044 -45.7237 16.1594 82.1354 42.5984 82.5098 29.002 TIMING: 2566400 CPU: 7656.01, 0.00293838/step Wall: 7656.01, 0.00293838/step, 1.98635 hours remaining, 207.945312 MB of memory in use. ENERGY: 2566400 760.0544 2108.2195 1934.6448 106.4313 -205390.4824 17325.1325 0.0000 0.0000 34096.9500 -149059.0498 297.7771 -183155.9999 -148961.6974 299.0791 -213.9596 -179.5194 558224.6987 1.2758 1.3069 PRESSURE: 2566600 -198.495 -2.58519 96.7712 -2.58564 -222.354 -85.9012 96.7711 -85.9017 -125.364 GPRESSURE: 2566600 -137.64 26.4093 53.1585 -77.5466 -210.198 -71.7085 148.02 -109.173 -98.548 PRESSAVG: 2566600 -24.9972 15.3638 -14.2401 15.3638 53.6603 11.6261 -14.2401 11.6262 -45.5928 GPRESSAVG: 2566600 -23.4409 14.2675 -11.0704 14.6848 52.3202 12.266 -17.0597 10.9189 -45.294 TIMING: 2566600 CPU: 7656.61, 0.0029656/step Wall: 7656.61, 0.0029656/step, 2.00458 hours remaining, 207.945312 MB of memory in use. ENERGY: 2566600 759.0499 2041.5970 1946.7985 112.1926 -205656.3996 17492.8770 0.0000 0.0000 34293.9284 -149009.9561 299.4974 -183303.8845 -148901.1353 299.3161 -182.0712 -148.7953 557943.9519 -5.6432 -5.4716 PRESSURE: 2566800 -310.438 -35.0383 -98.1794 -35.0394 35.7808 20.8105 -98.1788 20.8104 25.5294 GPRESSURE: 2566800 -259.537 -44.366 -203.138 15.6507 41.8335 66.4817 18.5732 -51.0435 75.4146 PRESSAVG: 2566800 -24.0144 -39.0791 21.0969 -39.0791 -36.5139 17.4149 21.097 17.4149 61.6498 GPRESSAVG: 2566800 -23.522 -37.7453 19.2207 -39.3918 -37.1833 19.9066 23.3962 16.77 61.9931 TIMING: 2566800 CPU: 7657.2, 0.00297952/step Wall: 7657.2, 0.00297952/step, 2.01382 hours remaining, 207.945312 MB of memory in use. ENERGY: 2566800 754.0897 2135.9536 1922.9309 115.3129 -206045.5889 17786.6407 0.0000 0.0000 34312.4825 -149018.1784 299.6594 -183330.6609 -148922.0836 300.2483 -83.0425 -47.4297 558044.8434 0.3739 0.4293 PRESSURE: 2567000 -141.775 -152.524 8.01595 -152.524 -54.9217 -90.5922 8.01646 -90.5918 -74.4027 GPRESSURE: 2567000 -73.0004 -80.8859 19.2945 -205.992 -4.37766 -42.1173 4.08231 -144.106 -90.1808 PRESSAVG: 2567000 -39.5546 70.0572 -6.96456 70.0573 41.8862 5.56069 -6.9646 5.56079 -46.7667 GPRESSAVG: 2567000 -39.8511 69.3579 -4.94141 71.827 41.8078 3.36895 -9.12474 5.27576 -46.9686 TIMING: 2567000 CPU: 7657.79, 0.00295102/step Wall: 7657.79, 0.00295102/step, 1.9944 hours remaining, 207.945312 MB of memory in use. ENERGY: 2567000 763.1344 2046.9483 1933.0910 122.6869 -206303.7471 17789.2480 0.0000 0.0000 34487.5503 -149161.0883 301.1884 -183648.6386 -149058.3637 299.5897 -90.3666 -55.8530 558522.7447 -14.8117 -15.0040 PRESSURE: 2567200 -65.1831 -71.627 39.0142 -71.627 -130.864 -170.065 39.014 -170.066 42.6662 GPRESSURE: 2567200 -52.3496 -6.21788 105.74 -61.6577 -109.139 -87.0347 17.3882 -208.259 93.8818 PRESSAVG: 2567200 -60.6158 -64.0715 34.6327 -64.0715 59.7424 17.9417 34.6328 17.9418 59.4627 GPRESSAVG: 2567200 -61.6536 -66.2601 32.0649 -62.9903 60.5021 18.1405 36.5818 18.4208 59.8031 TIMING: 2567200 CPU: 7658.38, 0.00294724/step Wall: 7658.38, 0.00294724/step, 1.99168 hours remaining, 207.945312 MB of memory in use. ENERGY: 2567200 740.3168 2086.6319 1945.8309 114.5785 -206158.7329 17838.7409 0.0000 0.0000 34354.0383 -149078.5956 300.0224 -183432.6339 -148976.5876 299.4754 -51.1269 -22.5357 557887.0146 19.5298 19.5506 PRESSURE: 2567400 -15.6836 -34.0078 102.685 -34.0077 167.97 -4.95092 102.683 -4.95027 50.7671 GPRESSURE: 2567400 12.4017 -6.14156 127.666 -54.5018 186.584 -36.3595 133.111 3.13963 96.8973 PRESSAVG: 2567400 -68.8306 -31.0097 45.4652 -31.0097 49.9041 -52.1037 45.4653 -52.1037 38.1075 GPRESSAVG: 2567400 -69.2982 -28.7857 47.1816 -32.8376 49.4635 -52.004 46.1337 -53.228 38.7902 TIMING: 2567400 CPU: 7658.98, 0.00298082/step Wall: 7658.98, 0.00298082/step, 2.01421 hours remaining, 207.945312 MB of memory in use. ENERGY: 2567400 713.0274 2054.6484 1958.9703 105.4227 -206012.4643 17886.0611 0.0000 0.0000 34216.3809 -149077.9533 298.8202 -183294.3342 -148978.3906 299.9652 67.6844 98.6276 557863.9920 6.3937 6.3185 PRESSURE: 2567600 47.4122 -34.0132 89.2236 -34.0132 311.104 157.389 89.2226 157.39 76.524 GPRESSURE: 2567600 47.4712 71.0317 19.2973 -70.2437 368.597 92.868 159.696 216.543 119.101 PRESSAVG: 2567600 -75.6333 1.06887 66.391 1.06889 32.1397 -27.6922 66.391 -27.6922 39.9907 GPRESSAVG: 2567600 -75.8847 -0.499558 64.5263 1.66219 33.6663 -28.4185 66.9017 -26.0027 38.6888 TIMING: 2567600 CPU: 7659.57, 0.00294509/step Wall: 7659.57, 0.00294509/step, 1.9899 hours remaining, 207.945312 MB of memory in use. ENERGY: 2567600 756.5490 2086.1049 1941.1792 107.7523 -206222.4455 17909.6037 0.0000 0.0000 34267.8458 -149153.4106 299.2696 -183421.2564 -149067.1944 299.4806 145.0134 178.3898 556326.4604 -1.1676 -1.1765 PRESSURE: 2567800 -106.617 -130.23 -8.10138 -130.23 72.7138 65.5039 -8.10231 65.5054 -73.4858 GPRESSURE: 2567800 -103.293 -118.782 44.7552 -126.946 126.103 83.4515 -2.50485 21.6177 -38.4103 PRESSAVG: 2567800 -85.1875 15.2927 55.7954 15.2927 66.6049 7.3389 55.7953 7.33889 -7.7848 GPRESSAVG: 2567800 -84.1418 16.8788 55.0124 15.2646 64.4921 9.79818 54.0792 5.57107 -6.58588 TIMING: 2567800 CPU: 7660.16, 0.00295803/step Wall: 7660.16, 0.00295803/step, 1.99848 hours remaining, 207.945312 MB of memory in use. ENERGY: 2567800 727.9320 2085.0199 1951.5048 116.7637 -205850.6210 17700.2184 0.0000 0.0000 34058.1534 -149211.0290 297.4383 -183269.1823 -149117.4774 298.7813 -35.7963 -5.2002 557609.4767 -8.7891 -8.7452 PRESSURE: 2568000 84.4235 -19.1337 -86.5042 -19.1348 0.764275 167.148 -86.5032 167.146 252.431 GPRESSURE: 2568000 115.04 21.0003 -16.9518 -3.60638 60.7236 134.155 -66.9048 249.479 258.926 PRESSAVG: 2568000 -13.3716 -10.7042 9.34525 -10.7042 -13.143 23.8102 9.34519 23.8102 37.5268 GPRESSAVG: 2568000 -13.9447 -12.2669 12.7596 -10.053 -12.4478 22.3153 7.11965 24.3338 37.6047 TIMING: 2568000 CPU: 7660.75, 0.00296788/step Wall: 7660.75, 0.00296788/step, 2.00497 hours remaining, 207.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2568000 749.1244 2133.4900 1910.4850 103.0582 -206638.9704 18074.5519 0.0000 0.0000 34350.1955 -149318.0653 299.9888 -183668.2608 -149226.9363 298.5537 112.5395 144.8964 557962.8735 3.6707 3.7374 PRESSURE: 2568200 -7.74662 28.5444 -115.324 28.5447 -224.838 -35.6125 -115.323 -35.6133 108.019 GPRESSURE: 2568200 -8.42601 34.3486 -78.7906 -32.6847 -195.135 -33.6378 -138.544 -21.1509 170.926 PRESSAVG: 2568200 -28.3246 8.46215 17.5388 8.46227 80.9432 -29.1042 17.5387 -29.1042 -15.1654 GPRESSAVG: 2568200 -29.0288 9.33258 16.5072 7.30048 82.1464 -29.3286 18.8451 -28.179 -15.9429 TIMING: 2568200 CPU: 7661.34, 0.00295758/step Wall: 7661.34, 0.00295758/step, 1.99785 hours remaining, 207.945312 MB of memory in use. ENERGY: 2568200 769.1059 2083.2772 1932.1428 116.5561 -206504.6345 17940.1342 0.0000 0.0000 34215.2971 -149448.1212 298.8107 -183663.4183 -149352.6101 299.4959 -41.5218 -10.8785 558678.9608 12.4844 12.3916 LDB: ============= START OF LOAD BALANCING ============== 7664.89 LDB: ============== END OF LOAD BALANCING =============== 7664.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7664.89 LDB: ============= START OF LOAD BALANCING ============== 7665.19 LDB: Largest compute 4773 load 0.028957 is 24.5% of average load 0.118181 LDB: Average compute 0.001722 is 1.5% of average load 0.118181 LDB: TIME 7665.2 LOAD: AVG 0.118181 MAX 0.199652 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.23 MB LDB: TIME 7665.2 LOAD: AVG 0.118181 MAX 0.199652 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: TIME 7665.2 LOAD: AVG 0.118181 MAX 0.199652 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7665.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7665.2 PRESSURE: 2568400 -12.9233 -88.4959 -123.973 -88.4951 3.98033 -15.1358 -123.973 -15.1367 3.15192 GPRESSURE: 2568400 10.6831 -108.873 -19.1239 -44.2824 56.7529 -69.1524 -131.488 16.5799 26.3595 PRESSAVG: 2568400 83.1087 -15.4333 7.82995 -15.4333 42.0136 16.8248 7.82992 16.8248 -87.7342 GPRESSAVG: 2568400 84.5706 -14.8924 7.13582 -15.8275 40.4815 17.8331 8.05744 17.677 -87.5092 TIMING: 2568400 CPU: 7661.95, 0.00304552/step Wall: 7661.95, 0.00304552/step, 2.05708 hours remaining, 206.718750 MB of memory in use. ENERGY: 2568400 772.3226 2089.9675 1922.6423 106.4960 -206399.1532 17856.3601 0.0000 0.0000 34258.2353 -149393.1295 299.1857 -183651.3648 -149292.5291 298.7950 -1.9304 31.2652 557817.9178 12.4627 12.5143 PRESSURE: 2568600 4.9218 -116.3 -38.6192 -116.302 133.048 -56.6617 -38.6194 -56.6617 8.62517 GPRESSURE: 2568600 42.5497 -85.7733 -38.4121 -161.894 176.034 -80.1597 41.1881 -33.6421 30.794 PRESSAVG: 2568600 38.8723 -11.7006 26.7392 -11.7006 9.71677 10.1134 26.7392 10.1133 -75.7212 GPRESSAVG: 2568600 38.0204 -10.3045 28.1784 -13.3743 9.70934 8.85759 26.4769 7.81387 -75.5918 TIMING: 2568600 CPU: 7662.55, 0.00297063/step Wall: 7662.55, 0.00297063/step, 2.00633 hours remaining, 206.718750 MB of memory in use. ENERGY: 2568600 781.5548 2064.2910 1948.4372 111.5137 -206434.3192 17920.4206 0.0000 0.0000 34386.9311 -149221.1708 300.3096 -183608.1019 -149124.9169 299.3418 48.8649 83.1260 557910.7648 -9.0441 -9.2874 PRESSURE: 2568800 -258.45 -60.3999 -103.683 -60.4012 -25.5666 145.728 -103.684 145.726 162.927 GPRESSURE: 2568800 -217.628 -81.2967 -93.1102 -47.8507 -0.477534 118.593 -186.202 193.379 204.32 PRESSAVG: 2568800 2.90308 -55.3925 40.9889 -55.3924 1.1063 -61.5377 40.9889 -61.5377 -24.5092 GPRESSAVG: 2568800 3.81135 -56.7625 42.2026 -53.5833 0.989492 -61.8255 39.3115 -62.3652 -25.2571 TIMING: 2568800 CPU: 7663.14, 0.00296575/step Wall: 7663.14, 0.00296575/step, 2.00287 hours remaining, 206.718750 MB of memory in use. ENERGY: 2568800 710.8991 2064.9864 1921.0426 120.4002 -206117.8684 17872.9260 0.0000 0.0000 34065.2823 -149362.3316 297.5006 -183427.6140 -149267.1032 298.8450 -40.3630 -4.5954 557953.8063 -6.8333 -6.8188 PRESSURE: 2569000 -92.1759 -14.8633 -237.846 -14.8627 179.537 -85.3515 -237.846 -85.35 72.2146 GPRESSURE: 2569000 -58.497 -25.4908 -247.605 51.8771 199.98 -159.365 -229.124 -57.5558 105.179 PRESSAVG: 2569000 -10.5714 -3.09409 -0.296473 -3.09401 -30.9884 -9.77429 -0.29641 -9.77424 -19.4046 GPRESSAVG: 2569000 -10.0634 -4.03071 -2.12406 -3.30134 -31.5296 -8.7157 2.36999 -8.64331 -19.0887 TIMING: 2569000 CPU: 7663.73, 0.00296593/step Wall: 7663.73, 0.00296593/step, 2.00283 hours remaining, 206.718750 MB of memory in use. ENERGY: 2569000 728.6713 2099.5106 1961.3006 128.1093 -206265.1706 17907.3882 0.0000 0.0000 34005.7367 -149434.4538 296.9806 -183440.1905 -149343.8373 298.5123 53.1917 82.2205 557278.7815 -20.3215 -20.2272 PRESSURE: 2569200 -82.4126 -237.087 70.5339 -237.087 -347.18 -82.0564 70.5327 -82.0561 -130.806 GPRESSURE: 2569200 -37.5121 -176.424 100.839 -268.562 -287.852 -125.886 69.8766 -13.2749 -139.042 PRESSAVG: 2569200 -28.203 -5.23958 6.13825 -5.23954 34.3241 -22.7141 6.13829 -22.7141 -1.24304 GPRESSAVG: 2569200 -28.816 -3.83005 6.71962 -5.63307 34.5763 -22.582 3.60788 -22.5623 -0.964283 TIMING: 2569200 CPU: 7664.32, 0.00294886/step Wall: 7664.32, 0.00294886/step, 1.99114 hours remaining, 206.718750 MB of memory in use. ENERGY: 2569200 717.6109 2086.2778 1926.4728 119.7367 -205988.4238 17537.3570 0.0000 0.0000 34071.1355 -149529.8331 297.5517 -183600.9686 -149426.1480 298.7231 -186.7994 -154.8021 558165.0089 1.6260 1.5987 PRESSURE: 2569400 57.2201 -56.2337 -65.5673 -56.2342 -107.108 113.386 -65.5673 113.386 -135.683 GPRESSURE: 2569400 93.9022 -100.238 24.0018 -79.8932 -77.7939 83.9731 -2.29564 92.3186 -104.964 PRESSAVG: 2569400 -19.0417 32.1626 33.5197 32.1626 1.26277 -6.22662 33.5197 -6.22653 26.523 GPRESSAVG: 2569400 -20.6793 32.5215 35.1184 33.2476 2.61244 -5.14425 34.8577 -8.14677 27.4367 TIMING: 2569400 CPU: 7664.91, 0.0029351/step Wall: 7664.91, 0.0029351/step, 1.98168 hours remaining, 206.718750 MB of memory in use. ENERGY: 2569400 739.0251 2093.1664 1973.8123 120.1739 -206253.9197 17657.2627 0.0000 0.0000 34111.6112 -149558.8680 297.9052 -183670.4792 -149458.4127 297.9038 -61.8572 -29.6184 558031.5796 2.9147 3.1233 PRESSURE: 2569600 -5.11257 -86.9114 1.44088 -86.9106 -169.7 -58.9754 1.43994 -58.9753 -5.20719 GPRESSURE: 2569600 39.8877 -118.223 32.9469 -136.261 -142.561 -74.3057 -36.4672 -48.4063 10.7568 PRESSAVG: 2569600 86.2026 -3.08172 74.3778 -3.08167 -37.9521 13.6033 74.3779 13.6032 -30.054 GPRESSAVG: 2569600 88.3914 -3.49402 73.2787 -4.89564 -38.664 10.7096 74.7306 16.9022 -31.6971 TIMING: 2569600 CPU: 7665.5, 0.00293263/step Wall: 7665.5, 0.00293263/step, 1.97985 hours remaining, 206.718750 MB of memory in use. ENERGY: 2569600 771.1977 2096.1923 1928.2968 108.2789 -206279.8109 17836.5361 0.0000 0.0000 34097.0171 -149442.2921 297.7777 -183539.3092 -149348.0995 298.5867 -60.0067 -30.6390 558053.9551 6.0655 6.0101 PRESSURE: 2569800 -120.11 -54.5811 86.0478 -54.5819 46.2066 -32.9762 86.0462 -32.9746 -69.1253 GPRESSURE: 2569800 -60.8129 9.95472 63.4399 -5.1077 24.7929 -12.3687 124.899 -43.8247 -2.58616 PRESSAVG: 2569800 -26.1863 27.0137 8.53253 27.0137 49.5869 -30.2126 8.5326 -30.2125 -42.1242 GPRESSAVG: 2569800 -26.8134 27.0467 7.43084 29.2681 49.3552 -28.3923 8.23584 -32.0208 -41.3688 TIMING: 2569800 CPU: 7666.08, 0.00292081/step Wall: 7666.08, 0.00292081/step, 1.97171 hours remaining, 206.718750 MB of memory in use. ENERGY: 2569800 752.7280 2128.5729 1912.9961 112.2751 -206497.9700 17906.2378 0.0000 0.0000 34357.5457 -149327.6144 300.0530 -183685.1601 -149226.6280 299.1817 -47.6762 -12.8687 558309.0262 -6.2412 -6.2756 PRESSURE: 2570000 -134.244 -110.045 -98.6757 -110.044 -60.5103 -30.739 -98.6769 -30.7389 157.208 GPRESSURE: 2570000 -67.6116 -177.671 -114.433 -114.843 -20.1448 -36.9698 -61.0817 81.9339 150.169 PRESSAVG: 2570000 -31.6732 -26.6794 -26.7435 -26.6793 -5.61357 -27.9036 -26.7435 -27.9035 16.3601 GPRESSAVG: 2570000 -31.3198 -27.8293 -26.2384 -28.6044 -5.16317 -29.5191 -27.8294 -24.8304 15.7988 TIMING: 2570000 CPU: 7666.67, 0.0029389/step Wall: 7666.67, 0.0029389/step, 1.98376 hours remaining, 206.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2570000 764.4355 2137.4498 1933.9999 108.3477 -206042.0637 17727.6143 0.0000 0.0000 34114.0495 -149256.1669 297.9265 -183370.2165 -149161.5256 298.7822 -12.5156 20.8041 557442.0600 -6.9756 -6.8947 PRESSURE: 2570200 -187.452 21.7625 31.4407 21.7608 53.6407 -34.9588 31.4406 -34.9588 78.7295 GPRESSURE: 2570200 -154.193 77.1636 96.9232 -49.1247 93.3495 -62.2684 20.6772 -10.6377 96.8907 PRESSAVG: 2570200 -39.7497 44.3945 -6.97983 44.3944 9.44525 -22.8874 -6.97991 -22.8874 76.138 GPRESSAVG: 2570200 -40.2156 44.8677 -8.46174 45.897 9.26449 -21.3491 -4.75768 -24.8027 77.2817 TIMING: 2570200 CPU: 7667.26, 0.00294394/step Wall: 7667.26, 0.00294394/step, 1.98699 hours remaining, 206.718750 MB of memory in use. ENERGY: 2570200 743.6302 2094.5470 1928.1264 121.4564 -206424.0378 17777.7415 0.0000 0.0000 34333.3200 -149425.2163 299.8414 -183758.5362 -149332.8140 298.1881 -18.3606 12.0157 556677.3058 15.2779 15.4435 PRESSURE: 2570400 181.181 107.952 -28.6899 107.952 -215.794 -136.425 -28.6889 -136.425 -53.6773 GPRESSURE: 2570400 269.052 161.169 -28.0873 123.839 -219.019 -46.9572 -81.9047 -140.237 -37.192 PRESSAVG: 2570400 -40.4125 -4.82453 -8.90246 -4.82457 -33.7506 -30.0766 -8.90256 -30.0766 30.2741 GPRESSAVG: 2570400 -38.9927 -3.22781 -5.95907 -5.15667 -35.9731 -29.4571 -10.7547 -30.2203 30.6279 TIMING: 2570400 CPU: 7667.84, 0.00293854/step Wall: 7667.84, 0.00293854/step, 1.98319 hours remaining, 206.718750 MB of memory in use. ENERGY: 2570400 787.8049 2098.3309 1949.5561 110.3892 -206038.0640 17632.5490 0.0000 0.0000 34154.7461 -149304.6878 298.2819 -183459.4339 -149212.5666 298.3268 -29.4302 4.2804 556626.4314 -14.6297 -14.7793 PRESSURE: 2570600 15.8032 159.175 -51.6978 159.174 38.2257 -25.2448 -51.6982 -25.2444 -368.898 GPRESSURE: 2570600 17.3345 140.667 -62.0872 114.659 58.169 -86.1806 -96.6572 44.6448 -300.481 PRESSAVG: 2570600 -49.4333 16.2059 -54.4139 16.2059 36.1945 5.23728 -54.4138 5.23735 9.78833 GPRESSAVG: 2570600 -48.8731 17.2874 -56.021 16.7253 36.9471 4.33842 -53.1191 6.04873 8.39733 TIMING: 2570600 CPU: 7668.43, 0.00294386/step Wall: 7668.43, 0.00294386/step, 1.98662 hours remaining, 206.718750 MB of memory in use. ENERGY: 2570600 765.1013 2050.1083 1943.8608 105.0124 -206159.8951 17736.5942 0.0000 0.0000 34289.4363 -149269.7819 299.4582 -183559.2182 -149176.1218 299.0210 -104.9565 -74.9925 556381.6996 -1.1501 -1.1762 PRESSURE: 2570800 48.5075 -62.4706 -223.392 -62.4711 -114.275 -139.983 -223.392 -139.981 37.1002 GPRESSURE: 2570800 91.3967 -69.3726 -185.24 -66.6877 -142.801 -143.319 -216.76 -77.7778 121.686 PRESSAVG: 2570800 11.5503 69.8609 3.61506 69.861 8.27031 42.4406 3.61503 42.4407 4.686 GPRESSAVG: 2570800 10.4962 67.3321 3.59825 70.4109 9.05575 43.2277 3.87713 41.8989 5.27323 TIMING: 2570800 CPU: 7669.02, 0.00294726/step Wall: 7669.02, 0.00294726/step, 1.98875 hours remaining, 206.718750 MB of memory in use. ENERGY: 2570800 735.7271 2126.4533 1944.1365 118.5372 -206206.2481 17828.8993 0.0000 0.0000 34167.5563 -149284.9384 298.3938 -183452.4947 -149189.8986 298.4257 -9.5559 23.4274 557254.9318 8.1689 8.2751 PRESSURE: 2571000 -59.8931 7.73445 66.9898 7.7352 37.4703 -23.0012 66.991 -23.0003 -80.6023 GPRESSURE: 2571000 6.9314 49.7206 106.009 12.6257 81.6529 -53.3279 74.9282 12.1301 -91.457 PRESSAVG: 2571000 -3.04606 50.6196 9.29864 50.6198 31.6072 -7.56851 9.29872 -7.56863 -27.4254 GPRESSAVG: 2571000 -4.0128 51.2059 8.57287 50.4647 32.2177 -7.97108 8.72192 -7.24629 -27.3588 TIMING: 2571000 CPU: 7669.61, 0.00294186/step Wall: 7669.61, 0.00294186/step, 1.98494 hours remaining, 206.718750 MB of memory in use. ENERGY: 2571000 720.6681 2091.6837 1908.1635 128.4127 -206144.5695 17689.4624 0.0000 0.0000 34289.1326 -149317.0466 299.4555 -183606.1792 -149218.5779 299.4647 -34.3417 -0.9576 557246.9874 0.3786 0.2821 PRESSURE: 2571200 -3.09031 78.429 -147.025 78.4303 84.8727 44.6151 -147.024 44.6155 -231.258 GPRESSURE: 2571200 22.6343 54.4459 -80.7122 -1.33797 140.854 -13.0106 -111.378 49.5542 -215.382 PRESSAVG: 2571200 -54.8784 9.58208 -42.239 9.58198 82.7398 -25.1335 -42.239 -25.1334 -40.6908 GPRESSAVG: 2571200 -53.9695 10.8532 -39.7783 7.21888 82.8231 -26.2929 -41.4556 -25.4067 -41.8732 TIMING: 2571200 CPU: 7670.2, 0.00293898/step Wall: 7670.2, 0.00293898/step, 1.98283 hours remaining, 206.718750 MB of memory in use. ENERGY: 2571200 763.5552 2144.8455 1927.9852 111.6078 -206227.6380 17755.3682 0.0000 0.0000 34364.1442 -149160.1319 300.1106 -183524.2761 -149065.3413 299.8399 -49.8251 -17.2979 556931.2361 -4.2765 -4.3399 PRESSURE: 2571400 13.36 78.7993 -107.923 78.7989 251.444 -94.8875 -107.922 -94.8885 109.854 GPRESSURE: 2571400 56.891 88.0352 -106.14 60.8477 286.252 7.4297 -61.9718 -88.0757 124.67 PRESSAVG: 2571400 -27.0161 22.591 28.9511 22.591 -17.7154 36.4136 28.951 36.4135 15.0761 GPRESSAVG: 2571400 -27.0466 22.6414 28.7945 23.0406 -18.7122 36.4486 28.0176 37.3558 15.7961 TIMING: 2571400 CPU: 7670.79, 0.00296577/step Wall: 7670.79, 0.00296577/step, 2.00074 hours remaining, 206.718750 MB of memory in use. ENERGY: 2571400 715.7262 2104.5481 1959.4354 113.2779 -206364.2047 17929.3517 0.0000 0.0000 34333.7005 -149208.1648 299.8447 -183541.8653 -149111.9217 299.4265 124.8857 155.9376 557293.1788 -9.8851 -9.9876 PRESSURE: 2571600 -42.7792 37.7499 220.163 37.7499 -94.2723 8.60896 220.164 8.60962 -29.342 GPRESSURE: 2571600 15.3143 85.2753 268.34 -9.68826 -44.2559 37.7517 179.752 -23.6932 -35.1643 PRESSAVG: 2571600 -14.8908 44.1909 46.978 44.1911 26.1831 3.79859 46.9781 3.79843 -25.8819 GPRESSAVG: 2571600 -14.4377 45.324 45.8042 42.8107 27.4133 4.12351 46.7445 3.72598 -27.5302 TIMING: 2571600 CPU: 7671.38, 0.00296166/step Wall: 7671.38, 0.00296166/step, 1.99781 hours remaining, 206.718750 MB of memory in use. ENERGY: 2571600 753.5826 2086.6752 1951.0983 105.9422 -206197.5098 17795.3683 0.0000 0.0000 34197.9015 -149306.9417 298.6588 -183504.8432 -149208.8891 298.8601 -55.4645 -21.3686 557244.4057 -4.8632 -4.8515 PRESSURE: 2571800 115.483 126.363 143.473 126.363 37.716 206.428 143.474 206.428 -116.82 GPRESSURE: 2571800 186.183 42.0104 188.016 177.328 51.8272 136.816 83.2305 278.331 -102.555 PRESSAVG: 2571800 24.7902 79.1097 1.46646 79.1097 0.93389 -15.5784 1.46651 -15.5784 -29.4076 GPRESSAVG: 2571800 22.7806 76.398 1.49768 81.2239 -0.288892 -13.8696 2.36394 -15.9819 -25.9284 TIMING: 2571800 CPU: 7671.97, 0.00293621/step Wall: 7671.97, 0.00293621/step, 1.98047 hours remaining, 206.718750 MB of memory in use. ENERGY: 2571800 739.9327 2102.2650 1927.8067 121.1991 -206046.2411 17713.8887 0.0000 0.0000 34096.9091 -149344.2398 297.7768 -183441.1489 -149257.2969 298.5770 12.1263 45.1517 556809.6244 -1.2278 -1.1456 PRESSURE: 2572000 -363.938 -1.55557 53.6133 -1.55539 -35.6249 126.415 53.6131 126.416 -182.57 GPRESSURE: 2572000 -362.18 91.5179 59.8886 6.33158 -16.982 40.8477 75.0502 188.26 -94.7633 PRESSAVG: 2572000 60.9712 10.5982 -54.0821 10.5982 -32.7259 49.8644 -54.0821 49.8644 -9.11727 GPRESSAVG: 2572000 61.8875 11.4366 -54.9416 10.299 -31.8019 48.0916 -55.4972 50.1892 -11.0705 TIMING: 2572000 CPU: 7672.56, 0.00294838/step Wall: 7672.56, 0.00294838/step, 1.98852 hours remaining, 206.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2572000 761.2913 2109.5074 1941.6270 116.4319 -205807.0487 17574.2666 0.0000 0.0000 34065.7392 -149238.1853 297.5046 -183303.9244 -149143.4998 299.4651 -194.0443 -157.9750 557758.7670 6.3760 6.3384 PRESSURE: 2572200 -183.236 5.6641 -125.446 5.66421 -40.7807 1.53959 -125.446 1.53922 132.849 GPRESSURE: 2572200 -157.061 -23.2748 -84.0606 -21.7162 -3.93856 -67.3594 -116.495 -24.0011 162.311 PRESSAVG: 2572200 17.8274 -54.8873 -19.3993 -54.8873 28.7433 9.71421 -19.3993 9.71418 -64.0839 GPRESSAVG: 2572200 17.4258 -55.4701 -19.3021 -54.9586 29.0373 9.42375 -17.0255 10.1626 -64.1344 TIMING: 2572200 CPU: 7673.15, 0.00296586/step Wall: 7673.15, 0.00296586/step, 2.00014 hours remaining, 206.718750 MB of memory in use. ENERGY: 2572200 739.5882 2085.7654 1933.0200 129.1061 -206223.2884 17784.7714 0.0000 0.0000 34209.8250 -149341.2123 298.7629 -183551.0373 -149247.6261 299.0068 -30.3893 0.4374 557010.0685 -5.8377 -5.8904 LDB: ============= START OF LOAD BALANCING ============== 7676.7 LDB: ============== END OF LOAD BALANCING =============== 7676.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7676.7 LDB: ============= START OF LOAD BALANCING ============== 7677 LDB: Largest compute 4773 load 0.028347 is 24.0% of average load 0.118252 LDB: Average compute 0.001732 is 1.5% of average load 0.118252 LDB: TIME 7677.01 LOAD: AVG 0.118252 MAX 0.199785 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.719 MB LDB: TIME 7677.01 LOAD: AVG 0.118252 MAX 0.199785 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: TIME 7677.01 LOAD: AVG 0.118252 MAX 0.199785 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: ============== END OF LOAD BALANCING =============== 7677.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7677.01 PRESSURE: 2572400 -5.6107 76.7082 -74.8766 76.7096 -167.256 -15.3745 -74.8753 -15.3748 -169.848 GPRESSURE: 2572400 30.8145 129.745 -105.785 63.724 -118.314 -5.0813 -88.4395 -46.7283 -149.111 PRESSAVG: 2572400 14.8027 -48.3866 24.3365 -48.3867 -11.7979 -64.05 24.3365 -64.0499 -30.9288 GPRESSAVG: 2572400 14.6145 -47.9148 24.6641 -46.9388 -11.4151 -62.8466 22.2816 -65.0472 -31.523 TIMING: 2572400 CPU: 7673.76, 0.00303566/step Wall: 7673.76, 0.00303566/step, 2.04705 hours remaining, 207.031250 MB of memory in use. ENERGY: 2572400 758.0065 2069.4066 1907.7231 106.1086 -206449.7040 17925.0645 0.0000 0.0000 34191.4370 -149491.9576 298.6023 -183683.3947 -149401.0775 298.7843 -114.2382 -78.8701 558023.4729 -9.3080 -9.4412 PRESSURE: 2572600 -10.1233 96.2026 174.537 96.2015 -229.176 -141.685 174.537 -141.684 73.748 GPRESSURE: 2572600 11.8463 66.1895 266.907 119.855 -198.918 -12.196 81.9088 -136.838 119.426 PRESSAVG: 2572600 1.21913 39.9275 33.5415 39.9275 15.1882 -46.3014 33.5415 -46.3015 11.6719 GPRESSAVG: 2572600 1.15254 40.5156 34.7314 38.2936 14.4193 -46.0312 33.579 -43.3186 12.3381 TIMING: 2572600 CPU: 7674.35, 0.00292421/step Wall: 7674.35, 0.00292421/step, 1.97173 hours remaining, 207.273438 MB of memory in use. ENERGY: 2572600 732.6584 2075.2167 1913.3331 111.7373 -206397.9259 17929.7564 0.0000 0.0000 34097.3417 -149537.8823 297.7806 -183635.2240 -149444.7409 299.0151 -55.1839 -22.5486 558136.0458 9.3597 9.3033 PRESSURE: 2572800 13.9525 170.182 50.2888 170.183 -125.97 -103.944 50.2883 -103.943 -132.769 GPRESSURE: 2572800 133.645 199.012 75.3637 181.588 -104.75 -102.356 76.5929 -52.5017 -182.787 PRESSAVG: 2572800 28.2619 55.0291 81.5882 55.029 3.88272 -69.0944 81.5882 -69.0943 -16.1455 GPRESSAVG: 2572800 27.6971 55.3332 80.8746 54.9042 4.26093 -69.6011 81.8917 -71.7617 -15.4312 TIMING: 2572800 CPU: 7674.94, 0.00297056/step Wall: 7674.94, 0.00297056/step, 2.00282 hours remaining, 207.273438 MB of memory in use. ENERGY: 2572800 750.2021 2138.2494 1940.0668 114.4827 -206476.1916 17880.6477 0.0000 0.0000 34057.8504 -149594.6926 297.4357 -183652.5430 -149500.8032 298.3466 -81.5954 -51.2972 559383.6478 5.3330 5.5089 PRESSURE: 2573000 82.3291 -52.6506 56.2789 -52.6491 -90.1866 -135.844 56.2787 -135.844 -118.884 GPRESSURE: 2573000 112.597 -59.3697 61.9579 -87.704 -56.355 -99.324 130.899 -130.46 -91.2555 PRESSAVG: 2573000 28.4938 -24.6079 80.0106 -24.6079 15.3582 -26.443 80.0107 -26.443 -54.7079 GPRESSAVG: 2573000 30.2454 -26.5817 80.1137 -24.8383 14.1357 -26.9874 78.7999 -26.3205 -55.3298 TIMING: 2573000 CPU: 7675.53, 0.00296531/step Wall: 7675.53, 0.00296531/step, 1.99911 hours remaining, 207.273438 MB of memory in use. ENERGY: 2573000 769.8917 2154.2587 1934.1727 110.4896 -206384.6160 18006.2774 0.0000 0.0000 34091.5401 -149317.9858 297.7299 -183409.5259 -149226.8570 298.5285 -42.2471 -11.6712 558814.0235 -3.6186 -3.6496 PRESSURE: 2573200 12.2752 25.0045 -141.319 25.0045 -55.7608 36.4507 -141.319 36.4496 125.085 GPRESSURE: 2573200 12.1155 92.433 -106.692 -31.9257 28.8633 59.448 -30.0988 60.3566 138.815 PRESSAVG: 2573200 -4.20829 -11.5855 7.28879 -11.5855 -41.3101 -23.0247 7.28882 -23.0247 43.983 GPRESSAVG: 2573200 -5.27371 -10.2358 7.127 -11.2424 -40.0075 -22.5717 9.35628 -23.8217 44.2316 TIMING: 2573200 CPU: 7676.12, 0.00294537/step Wall: 7676.12, 0.00294537/step, 1.9855 hours remaining, 207.273438 MB of memory in use. ENERGY: 2573200 757.4249 2073.7579 1927.6152 112.2627 -206515.8801 17921.3990 0.0000 0.0000 34458.9325 -149264.4879 300.9384 -183723.4204 -149166.9508 299.7457 27.1998 59.9315 558095.5730 -0.5118 -0.3499 PRESSURE: 2573400 -13.994 -30.239 -140.414 -30.2384 -216.742 -76.7318 -140.414 -76.7304 -100.57 GPRESSURE: 2573400 8.83434 -54.9466 -35.7573 1.49561 -198.763 -80.8239 -187.238 -46.9541 -45.2267 PRESSAVG: 2573400 -55.6049 13.4098 -32.9669 13.4098 -4.15057 6.91454 -32.9668 6.91461 63.7802 GPRESSAVG: 2573400 -55.4644 11.0306 -32.0436 13.6635 -5.2599 5.40154 -35.0656 9.65905 64.0335 TIMING: 2573400 CPU: 7676.71, 0.00294375/step Wall: 7676.71, 0.00294375/step, 1.98425 hours remaining, 207.273438 MB of memory in use. ENERGY: 2573400 740.6807 2069.1460 1902.9048 116.1063 -205857.0725 17675.9366 0.0000 0.0000 34210.2012 -149142.0970 298.7662 -183352.2982 -149035.7594 299.9624 -110.4354 -78.3850 559124.9150 1.3416 1.1031 PRESSURE: 2573600 125.659 66.2832 -100.359 66.2818 53.7603 96.6361 -100.359 96.6351 206.377 GPRESSURE: 2573600 169.519 39.0149 -159.706 11.7326 80.758 97.6452 -57.2989 48.6026 227.429 PRESSAVG: 2573600 22.3312 9.99219 -47.5615 9.99221 10.3789 -4.18193 -47.5614 -4.18193 -28.0142 GPRESSAVG: 2573600 22.8752 9.41133 -48.022 11.0941 8.71123 -2.86713 -47.5135 -5.66008 -27.4563 TIMING: 2573600 CPU: 7677.3, 0.00294736/step Wall: 7677.3, 0.00294736/step, 1.98652 hours remaining, 207.273438 MB of memory in use. ENERGY: 2573600 762.8576 2112.9644 1923.2693 100.5061 -206454.9540 17983.4065 0.0000 0.0000 34440.9565 -149130.9935 300.7814 -183571.9499 -149029.8528 299.5952 128.5989 159.2353 557172.7169 1.5653 1.3767 PRESSURE: 2573800 -216.824 -6.05107 -60.9054 -6.05105 -168.2 84.2219 -60.904 84.2205 75.4516 GPRESSURE: 2573800 -182.065 58.5911 -60.5575 -52.2788 -59.1962 82.5033 -110.356 73.1698 34.9684 PRESSAVG: 2573800 -46.2682 17.0571 5.15089 17.0571 -10.5186 -53.7419 5.1509 -53.7419 52.2516 GPRESSAVG: 2573800 -47.3573 20.6073 7.54354 16.7101 -7.93708 -53.5802 3.38002 -52.7698 50.3868 TIMING: 2573800 CPU: 7677.89, 0.00293577/step Wall: 7677.89, 0.00293577/step, 1.97855 hours remaining, 207.273438 MB of memory in use. ENERGY: 2573800 736.4627 2125.0894 1909.5469 113.6075 -205930.1160 17614.4373 0.0000 0.0000 34383.3041 -149047.6681 300.2779 -183430.9722 -148955.8171 299.9788 -103.1906 -68.7642 557998.9253 -1.5117 -1.6358 PRESSURE: 2574000 -36.2582 96.4118 79.0244 96.4112 4.0589 -150.756 79.0246 -150.755 -123.233 GPRESSURE: 2574000 69.5102 33.5218 152.457 136.31 11.0611 -140.635 35.7285 -194.664 -142.726 PRESSAVG: 2574000 -65.4334 27.7063 -16.8131 27.7062 44.5257 -13.8164 -16.8131 -13.8164 4.94299 GPRESSAVG: 2574000 -65.4313 25.6229 -19.3087 27.4095 43.6233 -14.8555 -14.9097 -15.1333 5.89648 TIMING: 2574000 CPU: 7678.48, 0.00296149/step Wall: 7678.48, 0.00296149/step, 1.99571 hours remaining, 207.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2574000 776.1515 2051.4492 1923.1933 111.2197 -206238.6788 17819.9286 0.0000 0.0000 34435.4026 -149121.3338 300.7329 -183556.7364 -149018.9378 299.2844 -51.8109 -20.7184 556657.1108 -5.3216 -5.3038 PRESSURE: 2574200 -189.244 -149.101 -147.142 -149.101 -120.955 163.876 -147.141 163.876 124.581 GPRESSURE: 2574200 -163.903 -214.478 -194.96 -144.493 -101.484 180.094 -96.9201 28.4805 184.288 PRESSAVG: 2574200 26.4 0.94713 -45.1053 0.947245 -27.0339 23.7579 -45.1052 23.7578 19.0844 GPRESSAVG: 2574200 26.4615 1.90027 -45.4002 -0.471252 -27.5064 22.8482 -44.3949 24.2931 19.0446 TIMING: 2574200 CPU: 7679.07, 0.0029423/step Wall: 7679.07, 0.0029423/step, 1.98262 hours remaining, 207.273438 MB of memory in use. ENERGY: 2574200 743.3809 2079.2642 1918.4120 106.4346 -206155.0735 17825.8031 0.0000 0.0000 34403.3514 -149078.4274 300.4530 -183481.7787 -148976.0895 298.9268 -61.8724 -27.0332 559312.3653 6.1502 5.9999 PRESSURE: 2574400 6.39515 171.602 99.1261 171.601 87.0787 143.517 99.1249 143.518 -237.989 GPRESSURE: 2574400 76.7302 93.2254 96.3222 208.27 63.5224 112.501 35.8421 131.789 -195.721 PRESSAVG: 2574400 2.35501 -12.2594 -40.572 -12.2594 15.5238 18.5851 -40.5719 18.5851 -35.0743 GPRESSAVG: 2574400 2.4089 -13.4742 -39.5559 -10.603 16.8587 18.3825 -41.5812 18.5473 -36.0315 TIMING: 2574400 CPU: 7679.66, 0.00294338/step Wall: 7679.66, 0.00294338/step, 1.98318 hours remaining, 207.394531 MB of memory in use. ENERGY: 2574400 733.5010 2097.8113 1929.0197 118.0608 -205707.8482 17643.5998 0.0000 0.0000 34160.4533 -149025.4024 298.3317 -183185.8557 -148933.8704 299.6463 -48.1716 -18.4894 558549.0457 -5.7318 -5.5880 PRESSURE: 2574600 -209.823 13.0372 -82.2522 13.0377 -181.285 -51.2475 -82.2521 -51.2467 -315.756 GPRESSURE: 2574600 -143.358 -8.66005 -18.4648 59.4793 -220.23 -46.7092 -117.759 -64.1305 -248.477 PRESSAVG: 2574600 -7.95167 3.53457 5.70523 3.53458 64.6241 46.1601 5.70521 46.16 -41.3442 GPRESSAVG: 2574600 -7.64767 3.46862 5.93445 5.89693 63.9471 46.9004 6.68146 45.2458 -41.1273 TIMING: 2574600 CPU: 7680.25, 0.00295343/step Wall: 7680.25, 0.00295343/step, 1.98979 hours remaining, 207.394531 MB of memory in use. ENERGY: 2574600 737.6666 2072.9349 1946.1492 103.4244 -205964.2522 17596.8779 0.0000 0.0000 34476.9961 -149030.2029 301.0962 -183507.1991 -148935.0914 299.4482 -235.6213 -204.0216 559362.4121 5.1094 5.0574 PRESSURE: 2574800 -2.46248 -42.403 -205.796 -42.4033 -173.612 29.8335 -205.797 29.8341 -171.187 GPRESSURE: 2574800 47.2507 -107.237 -181.639 -4.68689 -170.425 14.8993 -216.472 36.9165 -121.22 PRESSAVG: 2574800 -53.721 -37.4994 -23.8676 -37.4995 27.7881 43.7219 -23.8676 43.7219 4.68219 GPRESSAVG: 2574800 -53.9042 -37.6744 -23.5521 -38.2874 27.9672 43.1535 -24.6194 44.2758 4.61951 TIMING: 2574800 CPU: 7680.84, 0.00296886/step Wall: 7680.84, 0.00296886/step, 2.00002 hours remaining, 207.394531 MB of memory in use. ENERGY: 2574800 779.3792 2097.1714 1897.6875 106.2108 -206183.7984 17853.0507 0.0000 0.0000 34367.0244 -149083.2743 300.1358 -183450.2987 -148993.5991 299.9886 -115.7536 -81.4647 557640.2859 -7.0836 -7.1058 PRESSURE: 2575000 280.614 -113.273 -48.1608 -113.271 239.669 -48.4282 -48.1595 -48.4282 315.376 GPRESSURE: 2575000 256.893 -163.302 -45.7647 -20.5665 300.789 -32.8171 -73.5434 -3.52262 378.437 PRESSAVG: 2575000 -43.9847 -5.67906 -80.2188 -5.67909 68.3661 50.2593 -80.2189 50.2594 -15.4249 GPRESSAVG: 2575000 -43.6382 -3.24228 -80.2639 -7.3724 68.265 52.0869 -80.6912 51.2239 -15.4956 TIMING: 2575000 CPU: 7681.43, 0.00294928/step Wall: 7681.43, 0.00294928/step, 1.98667 hours remaining, 207.394531 MB of memory in use. ENERGY: 2575000 757.4845 2111.2921 1914.2241 123.8984 -206300.8539 18139.8619 0.0000 0.0000 34160.4487 -149093.6442 298.3317 -183254.0929 -148994.6978 300.1028 278.5529 312.0397 554796.7238 2.9855 3.0437 PRESSURE: 2575200 -161.62 -40.4851 -39.2205 -40.4848 -191.892 -10.3855 -39.2192 -10.3849 -231.384 GPRESSURE: 2575200 -138.555 -64.7861 33.3724 -158.381 -193.353 -86.3931 4.08883 8.99316 -164.049 PRESSAVG: 2575200 -32.4799 -32.9759 -29.7543 -32.9759 23.1105 17.2488 -29.7543 17.2488 -0.293682 GPRESSAVG: 2575200 -34.8333 -35.7089 -31.5116 -32.7139 23.0945 15.4857 -27.5632 15.6997 2.0247 TIMING: 2575200 CPU: 7682.02, 0.00295959/step Wall: 7682.02, 0.00295959/step, 1.99345 hours remaining, 207.394531 MB of memory in use. ENERGY: 2575200 722.5891 2092.5035 1924.0639 119.1685 -205723.9343 17486.6321 0.0000 0.0000 34361.5655 -149017.4117 300.0881 -183378.9772 -148923.0853 299.6250 -194.9653 -165.3190 556193.4555 -3.2211 -3.2380 PRESSURE: 2575400 -258.943 -56.9461 -123.759 -56.9452 -202.386 96.1709 -123.76 96.1729 -159.325 GPRESSURE: 2575400 -209.509 -88.5811 -68.9136 75.2957 -181.944 109.638 -162.864 138.618 -130.839 PRESSAVG: 2575400 43.5176 -18.9772 -0.736358 -18.9773 -6.78162 49.7371 -0.736324 49.737 -53.7834 GPRESSAVG: 2575400 44.5321 -19.1204 2.2178 -16.8474 -5.87883 50.3354 -2.81821 50.3859 -55.8751 TIMING: 2575400 CPU: 7682.61, 0.00294723/step Wall: 7682.61, 0.00294723/step, 1.98496 hours remaining, 207.394531 MB of memory in use. ENERGY: 2575400 738.6406 2085.7802 1945.9036 114.3831 -205547.6132 17366.8753 0.0000 0.0000 34177.2735 -149118.7569 298.4786 -183296.0303 -149021.9576 299.4024 -206.8849 -174.0975 557200.0472 -5.6825 -5.7406 PRESSURE: 2575600 24.3405 24.1118 -20.6417 24.1117 78.9404 -60.15 -20.6426 -60.1495 56.6816 GPRESSURE: 2575600 73.616 6.83778 -27.4727 -10.01 64.5363 -22.1913 2.86314 -90.7756 126.282 PRESSAVG: 2575600 -16.6634 47.9277 -51.2563 47.9276 63.3451 14.9556 -51.2562 14.9555 -30.1803 GPRESSAVG: 2575600 -15.8385 49.7372 -52.1805 46.4791 63.6114 15.9874 -52.2415 16.1051 -31.3584 TIMING: 2575600 CPU: 7683.21, 0.00296635/step Wall: 7683.21, 0.00296635/step, 1.99767 hours remaining, 207.394531 MB of memory in use. ENERGY: 2575600 742.7602 2075.8586 1957.9207 120.0930 -206212.8393 17827.8470 0.0000 0.0000 34230.5099 -149257.8500 298.9436 -183488.3599 -149163.8101 298.8349 53.3208 88.1446 556495.2546 5.5005 5.4715 PRESSURE: 2575800 -205.496 -77.5785 88.5916 -77.5774 -372.175 -1.99555 88.5918 -1.99441 -105.401 GPRESSURE: 2575800 -174.335 -83.838 177.55 -37.4777 -322.189 -9.923 68.1512 -12.6924 -73.4154 PRESSAVG: 2575800 -24.7725 46.6373 -31.8423 46.6374 52.193 3.18281 -31.8423 3.18275 -24.809 GPRESSAVG: 2575800 -25.7928 47.799 -33.6696 45.2195 51.2132 2.99436 -29.0701 0.424736 -23.0625 TIMING: 2575800 CPU: 7683.8, 0.00297402/step Wall: 7683.8, 0.00297402/step, 2.00267 hours remaining, 207.394531 MB of memory in use. ENERGY: 2575800 743.0406 2050.8520 1940.1793 106.6037 -205749.9492 17328.1220 0.0000 0.0000 34235.5381 -149345.6135 298.9875 -183581.1516 -149247.7205 299.3050 -227.6909 -189.9798 556207.2995 0.8705 0.7860 PRESSURE: 2576000 172.151 43.3258 -188.292 43.3264 25.4454 -111.833 -188.293 -111.833 131.364 GPRESSURE: 2576000 172.829 35.4459 -182.362 -17.3744 112.264 -34.1442 -218.289 -160.802 155.465 PRESSAVG: 2576000 92.1756 -63.8988 62.4745 -63.8987 -81.0981 2.37621 62.4744 2.37623 -9.27854 GPRESSAVG: 2576000 93.3661 -67.1858 64.9134 -63.2121 -81.76 2.39247 59.835 1.26379 -9.92376 TIMING: 2576000 CPU: 7684.39, 0.00294959/step Wall: 7684.39, 0.00294959/step, 1.98606 hours remaining, 207.394531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2576000 743.4975 2105.7485 1937.5156 116.6620 -206206.5805 17810.3579 0.0000 0.0000 34246.1303 -149246.6687 299.0800 -183492.7990 -149153.9828 299.4789 109.6535 146.8530 555989.1685 0.5996 0.5608 PRESSURE: 2576200 34.699 3.67962 191.991 3.68073 -155.173 -116.164 191.991 -116.164 148.539 GPRESSURE: 2576200 3.23189 -12.9554 193.282 18.3208 -109.306 -98.9063 166.714 -162.636 228.782 PRESSAVG: 2576200 12.6211 3.49635 48.4362 3.49634 -50.5863 18.7872 48.4362 18.7873 56.8362 GPRESSAVG: 2576200 11.5822 5.06212 47.5089 3.65839 -50.461 18.728 48.809 20.7045 56.9101 TIMING: 2576200 CPU: 7684.98, 0.00294235/step Wall: 7684.98, 0.00294235/step, 1.98102 hours remaining, 207.394531 MB of memory in use. ENERGY: 2576200 736.7493 2090.3300 1935.5892 110.5788 -206176.7962 17784.9892 0.0000 0.0000 34219.0520 -149299.5077 298.8435 -183518.5596 -149202.6330 299.4362 9.3551 40.9026 556292.7462 6.2903 6.0104 LDB: ============= START OF LOAD BALANCING ============== 7688.52 LDB: ============== END OF LOAD BALANCING =============== 7688.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7688.53 LDB: ============= START OF LOAD BALANCING ============== 7688.82 LDB: Largest compute 4773 load 0.026583 is 22.5% of average load 0.118237 LDB: Average compute 0.001741 is 1.5% of average load 0.118237 LDB: TIME 7688.82 LOAD: AVG 0.118237 MAX 0.201602 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.289 MB LDB: TIME 7688.83 LOAD: AVG 0.118237 MAX 0.201602 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.398 MB LDB: TIME 7688.83 LOAD: AVG 0.118237 MAX 0.201602 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.398 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7688.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7688.83 PRESSURE: 2576400 -156.359 31.6521 -192.514 31.6521 -27.2505 25.0165 -192.514 25.0179 113.531 GPRESSURE: 2576400 -160.455 38.1704 -180.279 40.3783 49.1115 -3.60302 -103.803 22.1852 128.564 PRESSAVG: 2576400 -2.72028 -19.5639 -42.2356 -19.5638 -8.73118 -53.4851 -42.2357 -53.4851 5.87448 GPRESSAVG: 2576400 -2.35918 -21.4839 -43.8893 -19.4596 -8.25073 -55.6019 -42.4093 -52.6004 4.90567 TIMING: 2576400 CPU: 7685.58, 0.00300678/step Wall: 7685.58, 0.00300677/step, 2.02423 hours remaining, 206.519531 MB of memory in use. ENERGY: 2576400 771.9516 2089.5578 1949.8704 117.9799 -206132.3674 17558.0757 0.0000 0.0000 34300.3598 -149344.5722 299.5536 -183644.9320 -149249.9623 299.2836 -23.3596 5.7403 556322.4396 -1.8590 -1.9014 PRESSURE: 2576600 -133.078 -76.6066 -91.2386 -76.6085 -81.385 66.8787 -91.238 66.8791 531.785 GPRESSURE: 2576600 -105.529 -80.5675 -40.2233 -81.6324 -48.25 15.1285 -17.4721 63.6588 566.079 PRESSAVG: 2576600 -21.3118 -44.5586 21.8869 -44.5587 -1.51134 -55.1889 21.8869 -55.1889 18.0873 GPRESSAVG: 2576600 -20.9384 -42.7876 23.9783 -42.7031 -1.2787 -54.2942 21.4934 -55.0407 17.6782 TIMING: 2576600 CPU: 7686.17, 0.00295406/step Wall: 7686.17, 0.00295406/step, 1.98857 hours remaining, 206.777344 MB of memory in use. ENERGY: 2576600 777.8346 2082.3378 1945.5615 112.3729 -206046.8645 17836.8831 0.0000 0.0000 34173.2988 -149118.5758 298.4439 -183291.8746 -149021.4047 299.7458 105.7741 137.4334 555657.8173 -1.5786 -1.5130 PRESSURE: 2576800 -394.746 100.185 -61.8132 100.186 -27.4865 43.6303 -61.8134 43.6305 -172.302 GPRESSURE: 2576800 -325.132 151.543 -120.281 4.85725 -28.3621 73.2935 -45.5441 46.437 -127.156 PRESSAVG: 2576800 -36.9249 -8.40968 -9.82524 -8.40962 -43.1192 -32.2909 -9.82512 -32.2911 30.9868 GPRESSAVG: 2576800 -37.2056 -9.18401 -11.0144 -9.71311 -43.8865 -32.3469 -7.69164 -32.0315 31.9078 TIMING: 2576800 CPU: 7686.77, 0.00297928/step Wall: 7686.77, 0.00297928/step, 2.00538 hours remaining, 206.777344 MB of memory in use. ENERGY: 2576800 791.1570 2121.7457 1913.4708 109.8311 -205658.5919 17409.2340 0.0000 0.0000 34139.6243 -149173.5290 298.1498 -183313.1533 -149069.6939 299.6700 -198.1779 -160.2169 557667.7907 -16.3524 -16.3947 PRESSURE: 2577000 -239.43 265.202 12.2409 265.203 -238.473 46.3374 12.2429 46.3367 -169.502 GPRESSURE: 2577000 -223.181 287.352 7.39353 258.223 -193.14 158.06 -10.8952 14.0556 -135.968 PRESSAVG: 2577000 -23.5905 6.76788 11.039 6.76781 -1.21913 14.6479 11.0389 14.648 26.1397 GPRESSAVG: 2577000 -22.895 6.94237 13.5728 5.9558 -1.17244 15.6828 8.486 12.7451 25.5633 TIMING: 2577000 CPU: 7687.37, 0.00299728/step Wall: 7687.37, 0.00299728/step, 2.01734 hours remaining, 206.777344 MB of memory in use. ENERGY: 2577000 733.2582 2081.5657 1918.8200 110.8376 -205792.3404 17484.0613 0.0000 0.0000 34313.3555 -149150.4421 299.6671 -183463.7977 -149052.6708 298.7665 -215.8016 -184.0962 558065.8725 0.4433 0.4986 PRESSURE: 2577200 202.663 -25.931 8.84331 -25.9307 -164.63 55.9436 8.84216 55.9437 -386.752 GPRESSURE: 2577200 227.326 -42.4385 113.167 50.942 -114.595 116.091 -48.576 101.858 -357.796 PRESSAVG: 2577200 -3.20947 12.6318 22.2374 12.6318 30.6563 47.9553 22.2374 47.9553 -6.83803 GPRESSAVG: 2577200 -4.33032 12.4846 19.787 13.1039 30.7531 48.3748 24.2707 47.6485 -5.92646 TIMING: 2577200 CPU: 7687.96, 0.00298308/step Wall: 7687.96, 0.00298308/step, 2.00761 hours remaining, 206.777344 MB of memory in use. ENERGY: 2577200 773.3650 2093.0305 1936.4214 115.8775 -205913.0312 17595.4677 0.0000 0.0000 34281.5178 -149117.3514 299.3890 -183398.8692 -149027.0247 300.3688 -116.2396 -81.6881 556366.4930 6.8696 6.8321 PRESSURE: 2577400 -380.505 55.6338 24.3103 55.6338 -320.564 109.023 24.3097 109.023 -233.587 GPRESSURE: 2577400 -390.687 129.481 -82.8956 -68.3353 -234.96 179.605 141.178 87.0495 -211.734 PRESSAVG: 2577400 7.56364 -28.0464 26.9977 -28.0465 25.1366 34.6442 26.9976 34.6441 -42.581 GPRESSAVG: 2577400 8.1802 -29.7723 26.7741 -27.1349 24.3875 34.9768 25.3255 35.215 -42.4216 TIMING: 2577400 CPU: 7688.56, 0.00298004/step Wall: 7688.56, 0.00298004/step, 2.0054 hours remaining, 206.777344 MB of memory in use. ENERGY: 2577400 754.8792 2089.7372 1927.6596 103.1780 -205744.1585 17192.9969 0.0000 0.0000 34523.6172 -149152.0904 301.5033 -183675.7076 -149054.4935 299.8133 -311.5519 -279.1270 555870.2421 -3.2936 -3.2846 PRESSURE: 2577600 -135.2 -134.937 94.8717 -134.937 39.1084 -59.6847 94.8722 -59.6838 -86.2968 GPRESSURE: 2577600 -108.585 -109.297 115.206 -129.196 46.8845 -64.4665 36.7477 -17.468 -18.6349 PRESSAVG: 2577600 4.67484 -57.5493 -5.40453 -57.5494 16.3364 9.78401 -5.40458 9.78397 20.0644 GPRESSAVG: 2577600 4.86999 -55.6521 -3.56002 -59.4933 17.2557 9.94133 -5.73983 11.9676 19.3738 TIMING: 2577600 CPU: 7689.16, 0.00297553/step Wall: 7689.16, 0.00297553/step, 2.0022 hours remaining, 206.777344 MB of memory in use. ENERGY: 2577600 723.8617 2084.5663 1946.4011 96.6594 -205782.2983 17536.1206 0.0000 0.0000 34428.0698 -148966.6193 300.6689 -183394.6891 -148875.1425 300.0899 -60.7961 -26.7786 556636.4456 13.6919 13.8332 PRESSURE: 2577800 21.9337 -34.6799 167.191 -34.6792 -89.1801 139.552 167.191 139.551 75.5048 GPRESSURE: 2577800 23.0455 -44.6985 93.4545 13.1818 -43.9066 118.871 172.529 128.267 104.616 PRESSAVG: 2577800 -42.7342 -56.5963 15.3625 -56.5963 66.9031 42.8292 15.3624 42.8291 -21.8056 GPRESSAVG: 2577800 -42.7591 -55.6971 12.7811 -55.5677 67.1599 41.64 17.2463 41.5121 -21.9847 TIMING: 2577800 CPU: 7689.75, 0.00297318/step Wall: 7689.75, 0.00297318/step, 2.00046 hours remaining, 206.777344 MB of memory in use. ENERGY: 2577800 773.4235 2059.3648 1940.0921 103.3933 -206191.4858 17773.8215 0.0000 0.0000 34434.8541 -149106.5364 300.7281 -183541.3905 -149011.3831 300.1370 2.7528 27.9184 555542.7510 0.7878 0.8054 PRESSURE: 2578000 -84.2761 -62.5966 -18.576 -62.5955 -53.9536 -60.3243 -18.5768 -60.325 -234.873 GPRESSURE: 2578000 -31.9074 -33.0399 -62.7293 -84.8091 -0.844787 -39.3652 -47.7967 -31.4512 -248.464 PRESSAVG: 2578000 21.9486 -10.0092 20.3891 -10.0092 10.8376 39.2785 20.3892 39.2785 25.0136 GPRESSAVG: 2578000 22.0483 -11.1327 22.2298 -10.6982 9.48937 38.9853 19.0452 40.2197 26.5523 TIMING: 2578000 CPU: 7690.35, 0.00299223/step Wall: 7690.35, 0.00299223/step, 2.01311 hours remaining, 206.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2578000 737.1018 2124.7419 1919.2469 128.1759 -206022.6380 17637.7812 0.0000 0.0000 34160.8143 -149314.7760 298.3349 -183475.5903 -149215.7109 299.8280 -124.3674 -93.7387 556136.8126 19.2666 19.3633 PRESSURE: 2578200 -283.238 -41.1522 -112.671 -41.1528 -399.989 -60.3793 -112.672 -60.378 -325.897 GPRESSURE: 2578200 -272.607 -29.8204 -97.8929 -71.8591 -400.501 -85.1803 -133.131 -35.5708 -225.721 PRESSAVG: 2578200 -5.83341 -55.7485 6.05471 -55.7485 -45.6178 11.8185 6.05454 11.8185 12.9116 GPRESSAVG: 2578200 -6.45993 -57.3697 5.43502 -54.3455 -44.8412 12.8601 7.25035 11.5551 12.7029 TIMING: 2578200 CPU: 7690.95, 0.00299049/step Wall: 7690.95, 0.00299049/step, 2.01177 hours remaining, 207.058594 MB of memory in use. ENERGY: 2578200 758.1437 2075.2503 1935.0652 111.9478 -205563.6081 17324.5205 0.0000 0.0000 33847.8006 -149510.8801 295.6013 -183358.6806 -149407.2665 298.6885 -336.3745 -299.6095 558259.3537 -12.8465 -12.8661 PRESSURE: 2578400 142.819 -12.4306 15.4584 -12.4299 -185.296 -172.674 15.4595 -172.675 -128.338 GPRESSURE: 2578400 112.085 33.4524 4.20435 -57.0197 -113.757 -148.445 -1.58811 -149.998 -78.9607 PRESSAVG: 2578400 -24.1267 -46.0153 13.2461 -46.0154 38.5511 -4.82584 13.2463 -4.8258 30.3965 GPRESSAVG: 2578400 -23.1193 -44.1537 12.912 -47.9137 38.2358 -7.09235 13.5512 -3.64242 29.6011 TIMING: 2578400 CPU: 7691.54, 0.00295288/step Wall: 7691.54, 0.00295288/step, 1.98631 hours remaining, 207.113281 MB of memory in use. ENERGY: 2578400 754.8070 2043.1482 1924.7064 119.3508 -206470.6856 17853.1861 0.0000 0.0000 34189.3155 -149586.1716 298.5838 -183775.4872 -149492.6245 298.6641 -56.9383 -26.8773 556946.3614 14.9403 14.9059 PRESSURE: 2578600 -44.2597 -119.162 52.7686 -119.163 26.0868 -220.46 52.768 -220.461 19.6697 GPRESSURE: 2578600 55.8542 -108.308 112.674 -119.093 22.9677 -167.42 -17.8122 -204.849 13.3314 PRESSAVG: 2578600 1.651 -40.2646 12.9431 -40.2646 -49.3531 29.5298 12.9431 29.5298 55.3607 GPRESSAVG: 2578600 2.5539 -39.0895 14.1586 -38.5411 -50.4064 31.3519 12.9337 27.6874 55.3821 TIMING: 2578600 CPU: 7692.12, 0.00293625/step Wall: 7692.12, 0.00293625/step, 1.97495 hours remaining, 207.113281 MB of memory in use. ENERGY: 2578600 727.8863 2098.9173 1925.7757 115.3323 -206537.8400 17846.7978 0.0000 0.0000 34155.0202 -149668.1103 298.2843 -183823.1305 -149569.2954 297.9313 0.4990 30.7178 556881.3859 2.5529 2.5099 PRESSURE: 2578800 -1.20961 -31.0011 80.5746 -31.0019 -172.275 -59.2279 80.5754 -59.2258 106.74 GPRESSURE: 2578800 12.365 -21.7042 149.283 -103.707 -149.045 -118.319 38.683 -24.3527 169.173 PRESSAVG: 2578800 -18.088 -0.570643 51.8211 -0.570649 -18.3892 -20.4343 51.8211 -20.4343 39.1767 GPRESSAVG: 2578800 -18.6986 -3.05657 50.8155 -1.34995 -16.958 -18.7347 51.2091 -19.4802 39.3779 TIMING: 2578800 CPU: 7692.72, 0.00296713/step Wall: 7692.72, 0.00296713/step, 1.99556 hours remaining, 207.113281 MB of memory in use. ENERGY: 2578800 764.8458 2105.1084 1902.5236 111.8046 -206547.7841 17813.0086 0.0000 0.0000 34024.5019 -149825.9912 297.1444 -183850.4931 -149723.3257 297.9504 -22.2484 10.8308 555926.6107 0.8998 1.2405 PRESSURE: 2579000 -184.685 -175.344 120.616 -175.343 137.775 16.0836 120.617 16.084 95.598 GPRESSURE: 2579000 -131.343 -118.973 201.703 -194.603 104.775 -35.2932 47.218 40.3146 176.141 PRESSAVG: 2579000 28.8416 -22.4965 26.5926 -22.4966 -16.8824 -35.0222 26.5926 -35.0221 43.176 GPRESSAVG: 2579000 27.9066 -21.5923 27.9905 -19.5568 -16.7599 -38.403 27.519 -34.1784 43.8255 TIMING: 2579000 CPU: 7693.31, 0.00295887/step Wall: 7693.31, 0.00295887/step, 1.98984 hours remaining, 207.121094 MB of memory in use. ENERGY: 2579000 737.3992 2139.3813 1921.2098 103.3021 -206665.0736 18069.8739 0.0000 0.0000 34057.0710 -149636.8364 297.4289 -183693.9074 -149534.2599 297.3320 16.2294 49.8579 557573.9920 18.3784 18.3241 PRESSURE: 2579200 -181.021 99.9001 -39.0686 99.9001 -26.9337 112.69 -39.0688 112.69 62.8626 GPRESSURE: 2579200 -129.838 33.0203 48.7291 95.5318 -6.78344 72.2734 -159.014 135.451 79.7928 PRESSAVG: 2579200 -8.06723 47.3427 -12.0097 47.3428 -76.6789 21.7821 -12.0097 21.7821 81.3738 GPRESSAVG: 2579200 -7.77634 46.9228 -12.4497 46.9382 -76.3542 23.0091 -13.3724 20.0069 81.2173 TIMING: 2579200 CPU: 7693.9, 0.00293707/step Wall: 7693.9, 0.00293707/step, 1.97502 hours remaining, 207.121094 MB of memory in use. ENERGY: 2579200 737.9889 2117.4569 1960.9509 111.3307 -206413.4772 17697.1546 0.0000 0.0000 34186.8530 -149601.7422 298.5623 -183788.5952 -149506.7552 298.0522 -48.3641 -18.9430 557567.9786 -1.1241 -0.9711 PRESSURE: 2579400 -213.428 -184.94 53.1707 -184.939 -57.0584 -175.87 53.1701 -175.871 193.516 GPRESSURE: 2579400 -175.722 -215.797 35.3233 -105.651 -1.01973 -163.015 -80.9434 -188.389 183.165 PRESSAVG: 2579400 -66.4035 -5.54226 -58.1788 -5.54226 -17.4412 31.4128 -58.1788 31.4128 64.4417 GPRESSAVG: 2579400 -65.1506 -5.80916 -59.092 -7.13136 -18.2562 30.9469 -57.2788 32.0152 64.1971 TIMING: 2579400 CPU: 7694.48, 0.00293169/step Wall: 7694.48, 0.00293169/step, 1.97123 hours remaining, 207.121094 MB of memory in use. ENERGY: 2579400 725.3582 2082.1577 1952.0715 111.4903 -206388.4215 17700.8738 0.0000 0.0000 34347.0704 -149469.3996 299.9615 -183816.4700 -149379.7803 298.0649 -25.6566 2.1412 557872.3999 -6.4677 -6.4032 PRESSURE: 2579600 -75.7801 55.3717 2.72 55.372 2.0681 78.9916 2.71944 78.9907 -168.56 GPRESSURE: 2579600 -7.54434 95.0642 -79.7799 -7.74962 -56.3359 -31.3564 54.9168 110.965 -104.031 PRESSAVG: 2579600 -37.3072 -36.4756 -47.2905 -36.4755 -42.874 45.8967 -47.2906 45.8967 62.6769 GPRESSAVG: 2579600 -38.5767 -36.3602 -46.5039 -36.181 -42.5839 46.7368 -48.4054 44.7704 63.6947 TIMING: 2579600 CPU: 7695.08, 0.00296697/step Wall: 7695.08, 0.00296697/step, 1.99479 hours remaining, 207.121094 MB of memory in use. ENERGY: 2579600 783.3149 2124.3912 1915.3713 114.3581 -206177.4238 17748.3041 0.0000 0.0000 34176.9432 -149314.7411 298.4757 -183491.6843 -149221.2652 298.1542 -80.7572 -55.9703 558096.7243 -5.8348 -5.8220 PRESSURE: 2579800 -223.663 34.0091 43.0779 34.0086 34.5332 66.8702 43.0777 66.8718 -187.354 GPRESSURE: 2579800 -196.16 75.0061 -19.7532 79.4681 72.0534 39.3301 43.2945 107.105 -150.973 PRESSAVG: 2579800 -57.9516 14.9094 4.5472 14.9094 49.2889 39.2948 4.54722 39.2948 57.8489 GPRESSAVG: 2579800 -57.6261 15.4127 6.58335 16.0951 49.2407 39.4538 4.81496 38.6665 57.4661 TIMING: 2579800 CPU: 7695.67, 0.00297496/step Wall: 7695.67, 0.00297496/step, 2 hours remaining, 207.121094 MB of memory in use. ENERGY: 2579800 727.6015 2075.8232 1914.3185 116.8659 -205816.4741 17578.4095 0.0000 0.0000 34079.7586 -149323.6969 297.6270 -183403.4555 -149227.0669 298.9500 -125.4947 -91.6934 557782.0505 16.3954 16.3603 PRESSURE: 2580000 14.6845 100.757 -17.2415 100.756 51.8682 -28.0417 -17.2401 -28.0407 -60.6429 GPRESSURE: 2580000 19.8646 70.3001 -119.45 71.9309 136.548 -11.7318 27.4044 -34.9187 -46.8883 PRESSAVG: 2580000 -54.4027 15.6043 -33.8625 15.6044 37.6506 41.5908 -33.8625 41.5908 27.6715 GPRESSAVG: 2580000 -53.4396 16.4655 -36.3055 13.0958 37.1958 41.5071 -32.0756 42.9224 26.9842 TIMING: 2580000 CPU: 7696.27, 0.0029779/step Wall: 7696.27, 0.0029779/step, 2.00181 hours remaining, 207.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2580000 726.8370 2018.9271 1931.1481 108.6217 -206066.5738 17682.8449 0.0000 0.0000 34279.9763 -149318.2185 299.3756 -183598.1948 -149218.8333 299.0112 1.9699 36.5080 557057.1670 3.6398 3.5801 PRESSURE: 2580200 -108.393 80.5533 35.5121 80.5529 76.3577 -28.3293 35.5123 -28.3287 192.017 GPRESSURE: 2580200 -19.6755 89.0028 27.2945 69.4593 136.115 -22.7432 57.2219 -45.3104 127.524 PRESSAVG: 2580200 -24.625 -0.55927 -25.5924 -0.559211 22.9839 35.2299 -25.5924 35.2297 46.1268 GPRESSAVG: 2580200 -26.1955 0.145651 -23.3126 -0.930778 23.7837 34.0448 -28.2344 34.9412 46.5437 TIMING: 2580200 CPU: 7696.86, 0.0029858/step Wall: 7696.86, 0.0029858/step, 2.00695 hours remaining, 207.121094 MB of memory in use. ENERGY: 2580200 758.4690 2081.1214 1919.4806 119.6985 -206163.1468 17865.4403 0.0000 0.0000 34163.3818 -149255.5553 298.3573 -183418.9371 -149159.7160 298.6640 53.3272 81.3214 558732.7205 14.8286 14.7106 LDB: ============= START OF LOAD BALANCING ============== 7700.41 LDB: ============== END OF LOAD BALANCING =============== 7700.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7700.42 LDB: ============= START OF LOAD BALANCING ============== 7700.72 LDB: Largest compute 4773 load 0.027215 is 23.0% of average load 0.118205 LDB: Average compute 0.001729 is 1.5% of average load 0.118205 LDB: TIME 7700.72 LOAD: AVG 0.118205 MAX 0.206419 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.656 MB LDB: TIME 7700.72 LOAD: AVG 0.118205 MAX 0.206419 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.859 MB LDB: TIME 7700.72 LOAD: AVG 0.118205 MAX 0.206419 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.859 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7700.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7700.73 PRESSURE: 2580400 67.7142 -130.856 -15.5288 -130.856 87.1641 -118.372 -15.5276 -118.374 141.252 GPRESSURE: 2580400 73.103 -37.4713 -43.3364 -236.822 93.8178 -152.807 -75.3602 9.19107 213.87 PRESSAVG: 2580400 73.4735 -11.9187 -12.9476 -11.9187 -49.1563 -1.45445 -12.9476 -1.45455 -7.92265 GPRESSAVG: 2580400 74.9788 -12.3672 -12.8912 -11.1985 -50.2959 -2.95568 -11.4794 0.270307 -8.31305 TIMING: 2580400 CPU: 7697.48, 0.00306585/step Wall: 7697.48, 0.00306585/step, 2.06059 hours remaining, 207.230469 MB of memory in use. ENERGY: 2580400 699.8253 2064.6564 1953.4784 107.1957 -206291.7610 17968.3912 0.0000 0.0000 34181.0107 -149317.2033 298.5113 -183498.2140 -149217.2159 299.0026 98.7100 126.9304 558896.1970 5.4649 5.4566 PRESSURE: 2580600 -288.383 94.2708 55.9313 94.271 -467.073 131.593 55.9306 131.594 -76.0204 GPRESSURE: 2580600 -244.813 124.887 69.0379 136.195 -381.142 196.835 -0.631082 76.5708 -90.3167 PRESSAVG: 2580600 71.0613 -11.6721 -14.9025 -11.6721 -40.2291 8.25813 -14.9025 8.25802 16.8828 GPRESSAVG: 2580600 70.6615 -11.8211 -15.1526 -9.57876 -38.6366 11.1468 -16.3168 6.18354 16.1878 TIMING: 2580600 CPU: 7698.07, 0.00297324/step Wall: 7698.07, 0.00297324/step, 1.99819 hours remaining, 207.230469 MB of memory in use. ENERGY: 2580600 737.4858 2079.3798 1952.2215 106.7865 -205866.6335 17546.8621 0.0000 0.0000 34285.9967 -149157.9011 299.4281 -183443.8978 -149055.3990 299.4565 -277.1587 -238.7570 557404.7769 15.9050 16.0709 PRESSURE: 2580800 -252.837 -30.2652 -7.86121 -30.265 -211.89 -155.505 -7.86039 -155.506 29.5645 GPRESSURE: 2580800 -259.618 -91.9868 1.35955 -35.7945 -116.491 -175.49 -6.93324 -143.405 40.471 PRESSAVG: 2580800 20.9223 30.41 -19.345 30.41 -77.2716 -41.2028 -19.345 -41.2029 5.55477 GPRESSAVG: 2580800 20.2958 29.1411 -19.5154 30.8581 -76.8547 -41.2949 -17.9393 -41.4721 5.64031 TIMING: 2580800 CPU: 7698.67, 0.00296526/step Wall: 7698.67, 0.00296526/step, 1.99265 hours remaining, 207.230469 MB of memory in use. ENERGY: 2580800 739.7087 2069.2763 1929.9819 113.7589 -205798.7392 17543.7195 0.0000 0.0000 34075.9587 -149326.3353 297.5938 -183402.2940 -149228.6555 299.1653 -145.0543 -111.8794 558393.8336 -16.9315 -16.9729 PRESSURE: 2581000 -477.996 -82.0317 48.5199 -82.0314 -222.795 -0.484988 48.5195 -0.484931 -206.977 GPRESSURE: 2581000 -423.311 -37.2473 10.6046 -116.601 -206.491 61.4752 124.592 -54.089 -181.879 PRESSAVG: 2581000 -42.0991 46.0169 -9.75084 46.0169 16.8065 0.755781 -9.75072 0.755797 -2.11762 GPRESSAVG: 2581000 -41.2717 46.7198 -10.3852 44.1716 15.1796 0.628405 -9.11664 -0.262268 -0.850398 TIMING: 2581000 CPU: 7699.26, 0.00299394/step Wall: 7699.26, 0.00299394/step, 2.01176 hours remaining, 207.230469 MB of memory in use. ENERGY: 2581000 742.7424 2063.9580 1929.1403 93.2197 -205922.4502 17406.1145 0.0000 0.0000 34455.8758 -149231.3994 300.9117 -183687.2752 -149134.8188 299.2747 -302.5892 -270.5604 558636.1189 -9.1367 -8.9808 PRESSURE: 2581200 -153.908 -96.2101 -11.5182 -96.2096 -126.08 -25.3847 -11.5168 -25.383 -170.798 GPRESSURE: 2581200 -167.169 -145.101 -64.3486 -6.51438 -127.227 -17.73 -14.4732 32.5041 -69.9094 PRESSAVG: 2581200 -4.59574 7.40261 19.6865 7.40257 0.950635 62.5577 19.6865 62.5577 -30.774 GPRESSAVG: 2581200 -5.21626 7.98117 19.7333 8.51575 0.55264 62.988 19.5959 64.0368 -30.063 TIMING: 2581200 CPU: 7699.86, 0.00299887/step Wall: 7699.86, 0.00299887/step, 2.0149 hours remaining, 207.230469 MB of memory in use. ENERGY: 2581200 778.6876 2113.5023 1919.5114 102.5603 -205990.1097 17580.4399 0.0000 0.0000 34386.3531 -149109.0550 300.3046 -183495.4081 -149010.5295 299.8415 -150.2621 -121.4349 558892.7711 -11.4730 -11.5755 PRESSURE: 2581400 107.112 -5.81869 -16.3283 -5.81917 -163.779 -127.263 -16.3269 -127.263 -8.83388 GPRESSURE: 2581400 157.312 -45.1375 4.0671 103.198 -157.827 -171.091 -41.994 -119.632 15.331 PRESSAVG: 2581400 17.5528 21.9907 -58.9626 21.9906 -24.9294 -20.223 -58.9626 -20.2229 10.767 GPRESSAVG: 2581400 17.9934 21.3298 -59.4348 21.0669 -24.7858 -22.2744 -59.3217 -19.2516 10.2853 TIMING: 2581400 CPU: 7700.47, 0.00300778/step Wall: 7700.47, 0.00300778/step, 2.02073 hours remaining, 207.230469 MB of memory in use. ENERGY: 2581400 734.5598 2097.5035 1928.7143 124.0280 -206040.6884 17873.2450 0.0000 0.0000 34044.0362 -149238.6015 297.3150 -183282.6377 -149140.3529 298.9574 -21.8336 4.9386 557107.6381 1.1301 1.1643 PRESSURE: 2581600 12.0656 -181.403 53.7935 -181.404 99.8576 -60.5102 53.7934 -60.51 -124.197 GPRESSURE: 2581600 24.8855 -146.332 28.765 -205.019 107.562 -78.5024 33.8071 -103.976 -50.082 PRESSAVG: 2581600 24.1435 48.3088 -8.98199 48.3088 -22.1574 -35.5777 -8.98199 -35.5777 5.50569 GPRESSAVG: 2581600 25.5919 47.1052 -7.17632 49.4901 -23.1123 -35.463 -9.92368 -36.3066 5.35087 TIMING: 2581600 CPU: 7701.06, 0.00298901/step Wall: 7701.06, 0.00298901/step, 2.00795 hours remaining, 207.230469 MB of memory in use. ENERGY: 2581600 768.5949 2085.7664 1934.4738 113.0430 -206282.4637 17917.1241 0.0000 0.0000 34350.8244 -149112.6371 299.9943 -183463.4615 -149016.5406 299.2189 -4.0912 27.4553 557888.8239 2.4973 2.6101 PRESSURE: 2581800 -39.5709 -29.0107 -66.2838 -29.0116 91.6934 27.6124 -66.2843 27.6117 176.632 GPRESSURE: 2581800 -37.0408 -43.8931 -40.7677 -61.0395 152.461 44.0369 0.690866 -7.06193 218.183 PRESSAVG: 2581800 -25.1105 66.5114 -44.4921 66.5115 34.5039 -10.0716 -44.4922 -10.0717 3.63731 GPRESSAVG: 2581800 -26.164 66.9721 -47.4994 66.6644 35.1428 -7.72148 -44.1624 -10.1654 3.98966 TIMING: 2581800 CPU: 7701.66, 0.00300305/step Wall: 7701.66, 0.00300305/step, 2.01722 hours remaining, 207.230469 MB of memory in use. ENERGY: 2581800 756.9101 2138.7676 1930.8280 134.5571 -206771.9267 18046.5560 0.0000 0.0000 34493.8193 -149270.4886 301.2431 -183764.3079 -149177.3826 299.4381 76.2516 111.2012 555720.0081 4.3436 4.3228 PRESSURE: 2582000 58.1531 18.1246 -41.6986 18.1234 117.636 123.308 -41.7 123.31 -216.069 GPRESSURE: 2582000 124.266 30.768 17.6024 -19.1844 112.474 110.956 -84.905 90.295 -187.844 PRESSAVG: 2582000 -65.6379 31.6141 -20.6082 31.6141 79.888 45.4051 -20.6082 45.4051 -27.6088 GPRESSAVG: 2582000 -65.0422 30.9441 -18.7453 31.8821 80.6709 42.6146 -20.52 47.564 -28.1712 TIMING: 2582000 CPU: 7702.26, 0.00299106/step Wall: 7702.26, 0.00299106/step, 2.009 hours remaining, 207.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2582000 757.6049 2067.3881 1946.4432 118.3624 -206181.1256 17695.1716 0.0000 0.0000 34317.7060 -149278.4493 299.7051 -183596.1553 -149183.2768 299.1589 -13.4266 16.2987 557415.7106 -4.4529 -4.1808 PRESSURE: 2582200 14.3299 -89.8963 -156.365 -89.8954 20.124 10.2135 -156.364 10.2125 116.384 GPRESSURE: 2582200 14.0665 -87.8079 -24.2118 -65.9716 134.027 -19.1423 -255.538 40.6252 91.6756 PRESSAVG: 2582200 -92.9651 14.1645 -24.5756 14.1645 91.3136 8.85986 -24.5757 8.85988 -23.6649 GPRESSAVG: 2582200 -93.6388 14.7091 -23.4323 14.7271 90.4277 11.0262 -27.6131 7.92118 -22.5175 TIMING: 2582200 CPU: 7702.86, 0.00297972/step Wall: 7702.86, 0.00297972/step, 2.00121 hours remaining, 207.230469 MB of memory in use. ENERGY: 2582200 723.9631 2087.3502 1910.1375 117.9039 -205965.5704 17744.1913 0.0000 0.0000 34234.0842 -149147.9402 298.9748 -183382.0244 -149047.1701 299.1208 50.2794 79.9230 557494.4931 -8.4388 -8.5762 PRESSURE: 2582400 -280.465 2.35239 -31.5268 2.35248 -118.763 -99.8889 -31.5275 -99.8885 18.1679 GPRESSURE: 2582400 -205.723 -3.51483 -32.5685 -0.82382 -94.7242 31.689 2.32678 -166.808 33.3287 PRESSAVG: 2582400 -32.4322 24.8776 -58.5527 24.8775 30.4902 -22.5132 -58.5527 -22.5131 11.4149 GPRESSAVG: 2582400 -32.4074 25.8874 -59.8999 22.364 31.7658 -21.9945 -54.0916 -24.2144 9.8184 TIMING: 2582400 CPU: 7703.45, 0.00295881/step Wall: 7703.45, 0.00295881/step, 1.987 hours remaining, 207.230469 MB of memory in use. ENERGY: 2582400 706.9441 2109.3500 1950.3294 127.5763 -205879.1448 17500.8578 0.0000 0.0000 34367.5603 -149116.5269 300.1405 -183484.0872 -149015.4647 299.5811 -127.0198 -89.0395 558214.5588 3.1576 3.0589 PRESSURE: 2582600 106.114 91.0206 29.2572 91.0219 -105.655 -87.5356 29.257 -87.536 -48.3036 GPRESSURE: 2582600 119.897 120.625 24.1572 46.6487 -65.0835 -64.3342 68.7715 -35.2998 -6.44 PRESSAVG: 2582600 67.8544 -48.9477 -9.0772 -48.9477 -29.3605 -10.1964 -9.07724 -10.1964 -36.3316 GPRESSAVG: 2582600 69.0234 -48.8302 -9.97165 -47.8513 -31.2064 -10.3926 -10.5785 -10.5114 -35.9891 TIMING: 2582600 CPU: 7704.04, 0.00294098/step Wall: 7704.04, 0.00294098/step, 1.97487 hours remaining, 207.230469 MB of memory in use. ENERGY: 2582600 746.0294 2087.3411 1945.9661 117.1325 -206217.9600 17990.1558 0.0000 0.0000 34289.3439 -149041.9911 299.4574 -183331.3350 -148943.3719 299.6731 -15.9482 16.1244 559581.9209 0.7208 0.6093 PRESSURE: 2582800 133.256 -63.0728 -18.7269 -63.0728 10.3935 -130.405 -18.7264 -130.406 236.647 GPRESSURE: 2582800 121.088 12.4489 -126.748 -79.6592 71.4027 -61.9145 27.8502 -55.8071 289.462 PRESSAVG: 2582800 15.0645 14.7038 10.0851 14.7039 -53.5415 -34.8523 10.0852 -34.8523 36.7556 GPRESSAVG: 2582800 14.4459 16.6669 9.31036 12.8679 -54.2318 -37.4492 11.5206 -32.7219 37.8742 TIMING: 2582800 CPU: 7704.63, 0.00295419/step Wall: 7704.63, 0.00295419/step, 1.98358 hours remaining, 207.230469 MB of memory in use. ENERGY: 2582800 746.6526 2107.7602 1937.6936 113.6505 -206152.1511 17980.5443 0.0000 0.0000 34323.0108 -148942.8392 299.7514 -183265.8499 -148853.2714 299.8944 126.7654 160.6509 558384.6547 -0.5738 -0.6373 PRESSURE: 2583000 -58.3665 29.7636 -118.592 29.7626 -183.382 18.9386 -118.592 18.9394 -98.0672 GPRESSURE: 2583000 -63.0215 8.12067 -73.0612 0.698777 -178.046 27.9433 -151.147 -36.1362 -1.84646 PRESSAVG: 2583000 19.5185 -15.3854 20.5704 -15.3854 -25.2036 -40.7129 20.5704 -40.713 37.3617 GPRESSAVG: 2583000 18.7658 -18.7452 21.6266 -11.1256 -23.9104 -38.3535 19.1605 -42.6275 37.2101 TIMING: 2583000 CPU: 7705.22, 0.00296126/step Wall: 7705.22, 0.00296126/step, 1.98816 hours remaining, 207.230469 MB of memory in use. ENERGY: 2583000 745.2870 2061.3811 1937.1182 119.6505 -205775.4860 17572.4976 0.0000 0.0000 34465.3864 -148874.1652 300.9948 -183339.5516 -148775.8259 300.9810 -113.2720 -80.9712 557167.4019 10.5589 10.6885 PRESSURE: 2583200 46.358 1.34348 -121.994 1.34369 107.521 121.557 -121.993 121.557 -11.7155 GPRESSURE: 2583200 23.7067 28.8174 -117.715 -62.4464 175.407 59.0135 -184.479 107.133 58.3131 PRESSAVG: 2583200 12.6851 18.203 12.8033 18.2029 54.4707 40.4376 12.8033 40.4377 -35.8028 GPRESSAVG: 2583200 11.4359 18.7581 12.1906 15.907 54.6148 39.3146 14.7336 40.7772 -34.8966 TIMING: 2583200 CPU: 7705.82, 0.00297318/step Wall: 7705.82, 0.00297318/step, 1.996 hours remaining, 207.230469 MB of memory in use. ENERGY: 2583200 755.9963 2081.8495 1951.0811 111.6411 -205889.2195 17809.1795 0.0000 0.0000 34370.8808 -148808.5911 300.1695 -183179.4720 -148719.4771 300.4405 47.3879 85.8088 557343.4613 10.4510 10.3847 PRESSURE: 2583400 -98.7296 -36.0805 -108.933 -36.0807 -102.956 15.5985 -108.933 15.599 -195.818 GPRESSURE: 2583400 -30.9774 15.2051 -48.2969 -153.802 -106.526 18.0924 -76.1768 -19.0043 -167.113 PRESSAVG: 2583400 -22.2684 -34.4119 5.20859 -34.4119 -45.3846 -6.04451 5.20852 -6.04452 10.5289 GPRESSAVG: 2583400 -19.5823 -34.3237 3.3304 -36.072 -46.7163 -6.81523 5.38696 -5.17989 9.70413 TIMING: 2583400 CPU: 7706.41, 0.00298163/step Wall: 7706.41, 0.00298163/step, 2.0015 hours remaining, 207.230469 MB of memory in use. ENERGY: 2583400 753.1730 2148.0211 1934.6327 114.2664 -205735.2853 17470.6331 0.0000 0.0000 34328.6754 -148985.8835 299.8009 -183314.5590 -148898.0948 300.2210 -132.5012 -101.5386 558605.1614 -19.0414 -18.8648 PRESSURE: 2583600 -271.692 -153.571 -183.85 -153.571 42.4196 179.646 -183.851 179.646 4.10405 GPRESSURE: 2583600 -296.214 -125.94 -299.237 -66.7657 111.341 180.621 -129.32 228.488 71.1364 PRESSAVG: 2583600 0.507751 -100.902 -53.6644 -100.902 -0.936672 -8.53781 -53.6644 -8.53775 27.5923 GPRESSAVG: 2583600 -0.446943 -100.53 -51.8565 -99.7707 -1.07224 -6.5564 -54.4425 -10.2435 29.1203 TIMING: 2583600 CPU: 7707, 0.00295703/step Wall: 7707, 0.00295703/step, 1.98483 hours remaining, 207.230469 MB of memory in use. ENERGY: 2583600 768.4886 2079.5790 1952.3836 103.8232 -206232.8809 17687.6837 0.0000 0.0000 34446.0946 -149194.8282 300.8263 -183640.9229 -149101.2180 299.4914 -75.0560 -37.9121 557689.7159 9.0545 9.2004 PRESSURE: 2583800 -421.373 -31.3515 77.1505 -31.351 -33.8283 55.4013 77.1486 55.4018 -381.111 GPRESSURE: 2583800 -360.41 -95.2145 120.655 -3.25713 -63.9634 109.62 122.124 73.5592 -324.337 PRESSAVG: 2583800 49.367 -9.33714 32.1384 -9.33713 -48.354 58.8966 32.1384 58.8966 -18.2056 GPRESSAVG: 2583800 47.8047 -8.82132 33.6888 -8.57141 -46.7293 55.5459 31.2209 61.3718 -19.253 TIMING: 2583800 CPU: 7707.59, 0.00295806/step Wall: 7707.59, 0.00295806/step, 1.98535 hours remaining, 207.230469 MB of memory in use. ENERGY: 2583800 767.5322 2079.6914 1939.9036 115.3791 -205528.5761 17272.8990 0.0000 0.0000 34298.6969 -149054.4739 299.5391 -183353.1708 -148964.8267 299.7379 -278.7708 -249.5699 556922.5171 -5.7309 -6.0592 PRESSURE: 2584000 -40.2585 -58.3477 -18.0279 -58.35 -108.209 -94.9547 -18.0273 -94.9556 -67.8532 GPRESSURE: 2584000 -90.3126 -102.9 -76.4321 -46.1432 -2.68053 -175.096 125.154 -35.4449 -19.1597 PRESSAVG: 2584000 28.6038 -1.30135 22.4413 -1.30139 55.2835 19.5247 22.4413 19.5246 -56.6753 GPRESSAVG: 2584000 29.3851 -3.20806 20.1485 -0.992515 54.5041 21.5349 24.6929 19.5789 -57.0969 TIMING: 2584000 CPU: 7708.19, 0.0029586/step Wall: 7708.19, 0.0029586/step, 1.98555 hours remaining, 207.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2584000 735.5435 2147.7455 1965.4639 118.5366 -205976.8892 17608.9294 0.0000 0.0000 34453.6706 -148946.9999 300.8925 -183400.6705 -148857.0563 299.5745 -72.1070 -37.3843 556901.6206 9.0707 8.9308 PRESSURE: 2584200 139.878 -93.5718 201.307 -93.5714 -70.7808 184.848 201.306 184.847 193.111 GPRESSURE: 2584200 139.307 -113.909 209.911 -38.297 -3.63038 155.62 218.664 265.372 217.542 PRESSAVG: 2584200 11.3634 18.3493 20.1376 18.3493 -73.3757 49.7828 20.1376 49.7828 23.7997 GPRESSAVG: 2584200 10.7196 19.2765 19.8734 19.5271 -71.9857 49.6367 19.664 50.8259 23.1381 TIMING: 2584200 CPU: 7708.78, 0.00297069/step Wall: 7708.78, 0.00297069/step, 1.9935 hours remaining, 207.230469 MB of memory in use. ENERGY: 2584200 711.6086 2116.8867 1953.1900 116.3013 -206132.7291 17878.0162 0.0000 0.0000 34294.9510 -149061.7751 299.5063 -183356.7262 -148979.3587 299.9648 87.4028 117.7398 557075.1935 -12.7375 -12.7093 LDB: ============= START OF LOAD BALANCING ============== 7712.33 LDB: ============== END OF LOAD BALANCING =============== 7712.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7712.33 LDB: ============= START OF LOAD BALANCING ============== 7712.63 LDB: Largest compute 4773 load 0.025866 is 21.9% of average load 0.118274 LDB: Average compute 0.001734 is 1.5% of average load 0.118274 LDB: TIME 7712.63 LOAD: AVG 0.118274 MAX 0.204814 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.719 MB LDB: TIME 7712.63 LOAD: AVG 0.118274 MAX 0.204814 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: TIME 7712.63 LOAD: AVG 0.118274 MAX 0.204814 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7712.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7712.64 PRESSURE: 2584400 -169.731 80.1607 158.622 80.1614 17.771 7.23077 158.622 7.22971 -108.419 GPRESSURE: 2584400 -58.8775 30.4161 228.554 88.0172 23.9866 103.133 37.1004 8.33738 -136.679 PRESSAVG: 2584400 -21.5675 8.64365 30.5884 8.64372 -40.2775 50.2024 30.5883 50.2024 23.3616 GPRESSAVG: 2584400 -21.5052 10.0604 33.7187 7.31518 -41.1077 50.8712 27.0365 49.0899 23.9665 TIMING: 2584400 CPU: 7709.39, 0.00303902/step Wall: 7709.39, 0.00303902/step, 2.03918 hours remaining, 207.933594 MB of memory in use. ENERGY: 2584400 719.8026 2099.1343 1945.4809 99.3655 -205763.0625 17631.7885 0.0000 0.0000 34390.5056 -148876.9852 300.3408 -183267.4907 -148792.3698 300.1854 -86.7927 -57.1900 558586.1131 -12.8278 -12.8821 PRESSURE: 2584600 -177.392 -43.7373 36.6927 -43.7373 106.255 30.6056 36.6922 30.6069 136.245 GPRESSURE: 2584600 -105.223 1.7674 94.0188 -95.0987 78.9985 40.997 -42.7369 43.2038 187.65 PRESSAVG: 2584600 7.08344 33.2256 4.65096 33.2257 -14.1565 48.7154 4.65088 48.7155 13.7589 GPRESSAVG: 2584600 7.82188 30.7769 3.72579 33.0594 -14.0335 47.5436 6.03223 48.6289 12.901 TIMING: 2584600 CPU: 7709.98, 0.00296588/step Wall: 7709.98, 0.00296588/step, 1.98994 hours remaining, 208.136719 MB of memory in use. ENERGY: 2584600 772.1108 2089.2304 1925.3496 102.8072 -205820.1515 17833.6884 0.0000 0.0000 34161.9247 -148935.0403 298.3446 -183096.9650 -148842.0824 300.2058 21.7027 53.8085 558136.1038 2.2286 2.2298 PRESSURE: 2584800 -24.3969 99.4189 102.445 99.4184 -194.225 -101.753 102.446 -101.753 31.9651 GPRESSURE: 2584800 0.0689335 139.094 45.8232 44.7374 -107.352 -145.097 109.497 -154.144 20.4316 PRESSAVG: 2584800 -21.1982 7.26235 -41.7348 7.26235 -7.73288 -1.415 -41.7348 -1.41503 31.675 GPRESSAVG: 2584800 -21.2652 9.20303 -44.6714 4.75037 -8.04073 -1.50642 -37.4965 -0.318681 31.8588 TIMING: 2584800 CPU: 7710.57, 0.00295722/step Wall: 7710.57, 0.00295722/step, 1.98396 hours remaining, 208.136719 MB of memory in use. ENERGY: 2584800 751.4707 2049.3419 1949.1381 123.2805 -206077.3242 17897.9041 0.0000 0.0000 34321.7573 -148984.4316 299.7404 -183306.1889 -148888.5952 300.0690 -62.2188 -28.9504 557937.5055 0.9146 0.8509 PRESSURE: 2585000 -231.597 200.561 -163.358 200.561 -49.8958 -52.8643 -163.357 -52.8651 -149.109 GPRESSURE: 2585000 -166.095 156.298 -68.2163 213.03 -48.8291 -81.0621 -189.098 -14.7038 -117.28 PRESSAVG: 2585000 36.2048 -3.37494 -41.355 -3.37487 -60.3822 -1.7634 -41.3551 -1.7634 6.5722 GPRESSAVG: 2585000 35.5378 -4.26779 -40.0535 -2.59231 -60.4339 -3.17122 -46.2971 -1.88238 7.20349 TIMING: 2585000 CPU: 7711.16, 0.00295907/step Wall: 7711.16, 0.00295907/step, 1.98504 hours remaining, 208.136719 MB of memory in use. ENERGY: 2585000 738.3397 2074.3179 1913.3308 111.0582 -205960.9522 17796.4660 0.0000 0.0000 34340.0371 -148987.4026 299.9001 -183327.4397 -148899.2325 299.8564 -143.5339 -110.7348 559410.5397 -5.8684 -5.8975 PRESSURE: 2585200 10.5911 85.3613 4.29376 85.3621 54.2822 232.261 4.29522 232.262 -173.581 GPRESSURE: 2585200 86.7766 46.6845 19.9924 85.5402 46.9113 195.854 -55.9969 199.527 -133.884 PRESSAVG: 2585200 18.5454 28.6638 -54.4462 28.6638 -12.1156 17.6691 -54.4462 17.669 -11.7044 GPRESSAVG: 2585200 17.9501 28.0545 -53.21 31.3476 -12.4567 17.0904 -53.3485 18.8949 -11.0219 TIMING: 2585200 CPU: 7711.76, 0.00298128/step Wall: 7711.76, 0.00298128/step, 1.99978 hours remaining, 208.136719 MB of memory in use. ENERGY: 2585200 712.9168 2116.3943 1944.1260 110.4958 -205879.7633 17667.8743 0.0000 0.0000 34201.0129 -149126.9431 298.6860 -183327.9560 -149032.5829 300.4466 -36.2360 -0.0654 556891.8156 -1.7582 -1.8428 PRESSURE: 2585400 244.381 -134.767 211.23 -134.767 -155.639 33.9194 211.23 33.9205 -14.1574 GPRESSURE: 2585400 320.905 -125.889 221.415 -171.683 -128.991 -4.82633 240.206 39.5942 -24.8329 PRESSAVG: 2585400 50.0016 23.4059 -14.858 23.406 -29.8242 85.1855 -14.858 85.1855 3.82834 GPRESSAVG: 2585400 50.3532 25.1485 -15.59 21.5942 -30.077 87.1946 -16.1623 82.9396 3.32772 TIMING: 2585400 CPU: 7712.36, 0.00298733/step Wall: 7712.36, 0.00298733/step, 2.00367 hours remaining, 208.136719 MB of memory in use. ENERGY: 2585400 740.3013 2067.3799 1957.6058 101.6375 -206075.4572 17740.4212 0.0000 0.0000 34350.3818 -149117.7297 299.9904 -183468.1115 -149024.2535 299.4961 24.8615 55.6935 556922.4944 8.0019 7.8680 PRESSURE: 2585600 46.9235 59.6788 226.471 59.6792 41.0714 170.469 226.469 170.469 -103.418 GPRESSURE: 2585600 17.2431 79.3453 244.954 77.4032 126.543 182.488 248.329 288.503 -61.9838 PRESSAVG: 2585600 30.9392 16.0912 57.3225 16.0913 -20.6991 49.7977 57.3225 49.7977 -14.4005 GPRESSAVG: 2585600 30.5199 14.9706 56.6939 16.7105 -18.5531 51.4213 60.1993 50.2568 -16.0295 TIMING: 2585600 CPU: 7712.95, 0.00297958/step Wall: 7712.95, 0.00297958/step, 1.99831 hours remaining, 208.136719 MB of memory in use. ENERGY: 2585600 702.9210 2171.7796 1971.0435 102.8076 -206131.6796 17822.2563 0.0000 0.0000 34344.6613 -149016.2103 299.9405 -183360.8716 -148928.4485 299.1947 -5.1409 27.2674 557453.5737 -1.3868 -1.3542 PRESSURE: 2585800 -106.311 78.6173 28.1621 78.6163 -242.117 -24.2906 28.162 -24.29 90.2647 GPRESSURE: 2585800 -65.6709 17.1816 -1.95995 64.0661 -155.323 23.5587 153.17 -56.1244 67.0846 PRESSAVG: 2585800 20.3501 2.1437 39.2445 2.14365 74.0863 -1.8263 39.2445 -1.82628 -73.0559 GPRESSAVG: 2585800 19.6619 2.90924 38.684 1.84507 73.1608 -2.61323 39.5623 -1.95821 -72.2013 TIMING: 2585800 CPU: 7713.55, 0.00297749/step Wall: 7713.55, 0.00297749/step, 1.99674 hours remaining, 208.136719 MB of memory in use. ENERGY: 2585800 746.7192 2081.5144 1952.1407 123.8715 -206152.8649 17821.7536 0.0000 0.0000 34337.8104 -149089.0551 299.8806 -183426.8655 -148993.7855 299.8104 -86.0543 -51.3030 558748.8925 7.1268 6.8738 PRESSURE: 2586000 -147.271 17.5467 -129.416 17.5461 50.3271 157.595 -129.415 157.594 5.04423 GPRESSURE: 2586000 -66.9165 -37.9745 -162.093 -54.2878 108.931 203.102 -101.706 180.927 -17.8145 PRESSAVG: 2586000 -46.9211 5.20278 -20.7545 5.20266 5.65446 76.7171 -20.7545 76.717 1.57597 GPRESSAVG: 2586000 -45.669 4.83479 -18.5216 4.57117 5.83157 75.2525 -21.8799 77.9062 0.663181 TIMING: 2586000 CPU: 7714.15, 0.00297484/step Wall: 7714.15, 0.00297484/step, 1.9948 hours remaining, 208.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2586000 724.4776 2119.1672 1929.5018 117.8613 -205708.0879 17778.0550 0.0000 0.0000 34131.4810 -148907.5440 298.0787 -183039.0250 -148806.7737 299.4334 -30.6331 8.0667 558561.8527 -13.2302 -13.0581 PRESSURE: 2586200 -205.316 99.2632 177.704 99.2626 -285.696 2.64662 177.703 2.64558 42.1933 GPRESSURE: 2586200 -179.142 130.226 30.1145 91.2414 -237.761 99.7561 177.176 -63.2145 58.0702 PRESSAVG: 2586200 35.0852 -28.9527 46.1478 -28.9528 28.2709 59.7718 46.1477 59.7718 -59.7809 GPRESSAVG: 2586200 33.8603 -28.7841 44.0301 -27.2942 28.5004 61.5718 46.8768 58.7937 -58.6961 TIMING: 2586200 CPU: 7714.74, 0.00298339/step Wall: 7714.74, 0.00298339/step, 2.00036 hours remaining, 208.136719 MB of memory in use. ENERGY: 2586200 738.1240 2089.6599 1941.7848 104.8107 -205818.9028 17523.8527 0.0000 0.0000 34464.2055 -148956.4652 300.9845 -183420.6707 -148858.0641 299.4899 -149.6060 -119.6110 558774.6697 1.1918 1.2216 PRESSURE: 2586400 -270.063 98.4046 101.535 98.404 -375.074 -149.969 101.537 -149.968 -165.632 GPRESSURE: 2586400 -249.462 99.2698 76.7019 53.5806 -364.22 -159.736 95.9872 -197.04 -97.9526 PRESSAVG: 2586400 -38.8158 14.2019 55.0579 14.2021 -77.6315 43.0819 55.0579 43.0818 108.044 GPRESSAVG: 2586400 -37.128 14.387 53.879 11.6144 -78.4983 42.4728 53.9235 43.03 107.432 TIMING: 2586400 CPU: 7715.34, 0.00299857/step Wall: 7715.34, 0.00299857/step, 2.01038 hours remaining, 208.136719 MB of memory in use. ENERGY: 2586400 738.0799 2143.0649 1929.4168 104.2301 -205541.4353 17315.8720 0.0000 0.0000 34131.0714 -149179.7003 298.0751 -183310.7717 -149086.5775 299.1104 -270.2565 -237.2114 559136.4608 -2.8012 -2.7316 PRESSURE: 2586600 167.617 -102.259 54.6599 -102.258 -34.2999 -104.014 54.66 -104.016 -137.853 GPRESSURE: 2586600 178.452 -102.031 2.28902 3.28737 61.0798 -96.7289 43.9286 -70.3521 -145.016 PRESSAVG: 2586600 37.9676 -13.991 25.7676 -13.9911 -6.00472 -24.9088 25.7676 -24.9088 -1.62722 GPRESSAVG: 2586600 37.1006 -14.9583 28.4743 -12.3902 -6.41874 -23.4992 24.1172 -25.5201 -0.458139 TIMING: 2586600 CPU: 7715.94, 0.00298348/step Wall: 7715.94, 0.00298348/step, 2.00009 hours remaining, 208.136719 MB of memory in use. ENERGY: 2586600 732.6270 2082.8555 1957.5966 110.8001 -206156.2681 17774.7346 0.0000 0.0000 34323.4970 -149174.1573 299.7556 -183497.6543 -149075.8669 299.2227 -1.5123 31.5051 558782.6151 10.1119 10.0746 PRESSURE: 2586800 -15.5398 74.3476 -13.3006 74.3473 38.5525 -114.213 -13.3001 -114.212 41.8564 GPRESSURE: 2586800 -16.9912 73.9463 73.0144 63.4341 60.5558 -39.6256 -108.707 -136.857 113.594 PRESSAVG: 2586800 -0.13014 14.1977 41.5653 14.1977 -50.6915 23.776 41.5653 23.776 25.3546 GPRESSAVG: 2586800 -0.332543 12.6817 41.9061 13.9853 -50.0174 23.1859 41.5696 24.2618 25.1263 TIMING: 2586800 CPU: 7716.53, 0.00296879/step Wall: 7716.53, 0.00296879/step, 1.99008 hours remaining, 208.136719 MB of memory in use. ENERGY: 2586800 720.1225 2109.9531 1975.7927 125.8140 -206228.3332 17864.5047 0.0000 0.0000 34254.6064 -149177.5398 299.1540 -183432.1462 -149085.3401 299.0773 21.6230 52.3861 558767.2173 -8.4890 -8.4079 PRESSURE: 2587000 125.498 133.022 109.954 133.022 244.513 20.0143 109.953 20.0141 -232.976 GPRESSURE: 2587000 173.658 72.8734 128.938 139.924 266.583 3.30256 66.11 -11.0954 -205.495 PRESSAVG: 2587000 12.2265 6.53669 17.4768 6.5367 0.607864 33.0352 17.4767 33.0351 -41.0683 GPRESSAVG: 2587000 13.0988 8.30794 16.7033 7.79782 0.311833 33.2632 19.2442 32.0933 -41.8382 TIMING: 2587000 CPU: 7717.13, 0.00298841/step Wall: 7717.13, 0.00298841/step, 2.00307 hours remaining, 208.136719 MB of memory in use. ENERGY: 2587000 776.7897 2157.8128 1929.0647 113.7068 -206340.5463 17885.7188 0.0000 0.0000 34108.9096 -149368.5440 297.8816 -183477.4536 -149276.3481 299.2506 45.6782 78.2488 556324.6642 -9.4113 -9.4759 PRESSURE: 2587200 -140.34 9.34796 -21.2262 9.34897 30.9377 -52.6642 -21.2255 -52.6648 37.0341 GPRESSURE: 2587200 -60.9681 -23.4892 25.9223 50.7404 43.6729 -97.7014 -53.941 -87.1455 39.6448 PRESSAVG: 2587200 17.0814 15.0719 17.6964 15.0718 1.01119 0.896388 17.6964 0.896523 -8.70876 GPRESSAVG: 2587200 17.3416 13.6666 14.9956 15.4517 1.12612 -1.05183 16.4208 2.55342 -8.69241 TIMING: 2587200 CPU: 7717.73, 0.00300203/step Wall: 7717.73, 0.00300203/step, 2.01203 hours remaining, 208.136719 MB of memory in use. ENERGY: 2587200 765.7877 2032.7358 1931.7626 112.0590 -206207.8704 17797.4908 0.0000 0.0000 34291.9732 -149276.0612 299.4803 -183568.0344 -149177.9076 298.9610 -24.1226 7.4499 556394.4542 3.1279 3.2584 PRESSURE: 2587400 13.2551 33.9697 101.516 33.9691 -349.519 -118.888 101.515 -118.888 -215.859 GPRESSURE: 2587400 38.4411 60.5469 178.698 2.52202 -283.859 -110.263 6.79509 -44.9164 -205.244 PRESSAVG: 2587400 -84.3557 14.6442 -11.812 14.6442 46.4334 3.14707 -11.812 3.14714 -13.5441 GPRESSAVG: 2587400 -85.1779 16.894 -11.7806 13.411 47.3082 4.54949 -10.5884 2.94735 -13.5533 TIMING: 2587400 CPU: 7718.32, 0.00297279/step Wall: 7718.32, 0.00297279/step, 1.99227 hours remaining, 208.136719 MB of memory in use. ENERGY: 2587400 743.7709 2073.0890 1957.1868 127.3718 -205984.3487 17555.2722 0.0000 0.0000 34189.1965 -149338.4614 298.5828 -183527.6579 -149243.6816 298.9125 -184.0411 -150.2208 558440.5689 -17.1554 -17.1410 PRESSURE: 2587600 1.11431 -181.114 -12.3534 -181.115 -275.002 6.6957 -12.3533 6.69617 -142.189 GPRESSURE: 2587600 12.6602 -197.957 19.284 -169.073 -191.588 -33.4413 -53.3962 49.7597 -139.578 PRESSAVG: 2587600 31.8827 12.4261 13.9284 12.4261 20.0637 -25.882 13.9284 -25.882 -48.3102 GPRESSAVG: 2587600 31.452 8.07329 14.6803 16.2621 19.6164 -25.9887 12.6518 -26.4768 -47.0138 TIMING: 2587600 CPU: 7718.92, 0.0029744/step Wall: 7718.92, 0.0029744/step, 1.99318 hours remaining, 208.136719 MB of memory in use. ENERGY: 2587600 788.3195 2092.9579 1933.4000 116.2278 -206032.5544 17721.3187 0.0000 0.0000 34144.6756 -149235.6549 298.1939 -183380.3305 -149141.8265 298.7978 -138.6922 -106.1687 557531.1089 1.2121 1.3515 PRESSURE: 2587800 -207.835 -70.1686 130.084 -70.1695 -184.586 77.3823 130.083 77.3815 -152.078 GPRESSURE: 2587800 -170.574 5.42753 197.26 -103.215 -139.143 57.8418 118.782 66.3903 -134.937 PRESSAVG: 2587800 11.8509 -20.8278 24.069 -20.8277 -6.01177 17.5783 24.069 17.5784 -49.0537 GPRESSAVG: 2587800 13.6562 -15.666 25.9147 -25.1021 -6.30265 18.0169 23.8113 16.3106 -50.0553 TIMING: 2587800 CPU: 7719.51, 0.00296269/step Wall: 7719.51, 0.00296269/step, 1.98517 hours remaining, 208.136719 MB of memory in use. ENERGY: 2587800 778.5610 2084.6920 1931.8424 112.1449 -206238.8120 17568.1394 0.0000 0.0000 34496.1137 -149267.3185 301.2631 -183763.4322 -149171.4099 299.2179 -181.4996 -148.2180 557796.9677 -14.4048 -14.2339 PRESSURE: 2588000 -111.3 67.3103 -21.8697 67.3085 65.6395 -89.7223 -21.8689 -89.7219 6.40539 GPRESSURE: 2588000 -49.216 72.9413 2.87781 21.9971 61.7511 -12.3059 -70.7283 -195.149 47.4236 PRESSAVG: 2588000 34.4219 -0.3545 28.0177 -0.354575 -31.9712 2.50367 28.0178 2.50362 -16.7914 GPRESSAVG: 2588000 32.5249 -1.56594 26.3826 0.120452 -31.0027 0.791516 28.1001 3.75857 -15.7255 TIMING: 2588000 CPU: 7720.1, 0.00295578/step Wall: 7720.1, 0.00295578/step, 1.98037 hours remaining, 208.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2588000 766.9198 2131.1644 1945.9450 129.3534 -206662.0392 17912.8061 0.0000 0.0000 34447.9701 -149327.8804 300.8427 -183775.8506 -149232.6521 299.0091 -13.0851 19.9862 557792.6383 -4.7802 -4.7345 PRESSURE: 2588200 420.459 96.6821 64.9204 96.6821 -122.816 -148.851 64.9213 -148.852 69.4285 GPRESSURE: 2588200 457.674 8.89781 102.049 193.178 -97.4674 -147.196 90.9402 -160.215 112.35 PRESSAVG: 2588200 26.8907 1.48537 40.0455 1.48539 -40.3353 10.7628 40.0455 10.7627 27.7576 GPRESSAVG: 2588200 28.9504 -0.577107 42.6912 3.21384 -41.7729 11.9931 39.7271 11.1353 27.5283 TIMING: 2588200 CPU: 7720.69, 0.00295467/step Wall: 7720.69, 0.00295467/step, 1.97947 hours remaining, 208.136719 MB of memory in use. ENERGY: 2588200 756.2247 2115.4955 1933.8476 108.8637 -206655.2858 18206.5937 0.0000 0.0000 34249.6581 -149284.6025 299.1108 -183534.2605 -149183.8058 300.0582 122.3570 157.5190 557071.7469 4.7710 4.9019 LDB: ============= START OF LOAD BALANCING ============== 7724.24 LDB: ============== END OF LOAD BALANCING =============== 7724.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7724.24 LDB: ============= START OF LOAD BALANCING ============== 7724.54 LDB: Largest compute 4773 load 0.026552 is 22.5% of average load 0.118267 LDB: Average compute 0.001734 is 1.5% of average load 0.118267 LDB: TIME 7724.54 LOAD: AVG 0.118267 MAX 0.205326 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 7724.55 LOAD: AVG 0.118267 MAX 0.205326 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206 MB LDB: TIME 7724.55 LOAD: AVG 0.118267 MAX 0.205326 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7724.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7724.55 PRESSURE: 2588400 -96.3044 27.402 191.761 27.4013 -4.14028 -102.821 191.76 -102.823 187.93 GPRESSURE: 2588400 -24.6715 -1.60346 214.863 55.5523 39.2019 -49.5844 165.878 -145.034 173.062 PRESSAVG: 2588400 9.89149 3.69096 19.9908 3.69095 -42.4619 -64.0114 19.9909 -64.0115 -1.54129 GPRESSAVG: 2588400 11.089 5.21875 18.3622 3.99445 -41.5086 -64.5922 20.7335 -64.1812 -3.17793 TIMING: 2588400 CPU: 7721.3, 0.00303715/step Wall: 7721.3, 0.00303715/step, 2.03455 hours remaining, 208.253906 MB of memory in use. ENERGY: 2588400 725.9017 2048.3195 1939.4464 121.5845 -206424.5254 17861.2659 0.0000 0.0000 34341.1222 -149386.8852 299.9096 -183728.0075 -149282.3392 299.7906 29.1618 62.5307 556164.0604 -11.3706 -11.1992 PRESSURE: 2588600 -141.647 -20.6789 -178.182 -20.6799 -9.50844 51.6937 -178.183 51.693 116.24 GPRESSURE: 2588600 -56.5121 23.757 -120.081 -86.1128 20.0873 9.79584 -145.726 122.989 97.8247 PRESSAVG: 2588600 -14.6737 43.8534 9.11143 43.8534 14.0891 9.29653 9.11153 9.29664 6.05264 GPRESSAVG: 2588600 -16.3142 43.4091 7.96764 44.6235 14.3286 8.80188 9.22155 9.16001 7.68355 TIMING: 2588600 CPU: 7721.89, 0.00294382/step Wall: 7721.89, 0.00294382/step, 1.97187 hours remaining, 208.253906 MB of memory in use. ENERGY: 2588600 794.2811 2177.2125 1945.8570 103.7009 -206073.1241 17668.7124 0.0000 0.0000 34131.2309 -149252.1294 298.0765 -183383.3602 -149154.3800 299.3067 -11.6385 20.4666 556479.5407 1.8227 1.8993 PRESSURE: 2588800 -27.3038 -48.4224 -98.5785 -48.4218 194.697 -57.3089 -98.5792 -57.3084 20.8778 GPRESSURE: 2588800 0.200617 -82.2947 -130.383 7.75732 206.242 -48.7345 -86.9049 -22.0207 78.9214 PRESSAVG: 2588800 -44.6527 38.4772 -44.9229 38.4771 7.71254 35.051 -44.9229 35.051 8.4925 GPRESSAVG: 2588800 -44 39.8067 -46.4369 35.3762 6.23899 34.6655 -43.6341 35.178 8.97942 TIMING: 2588800 CPU: 7722.48, 0.00293442/step Wall: 7722.48, 0.00293442/step, 1.96541 hours remaining, 208.253906 MB of memory in use. ENERGY: 2588800 715.7362 2128.2893 1941.9140 121.4064 -206397.1759 17832.7199 0.0000 0.0000 34247.0868 -149410.0234 299.0883 -183657.1101 -149310.2672 299.1795 62.7571 95.1215 556348.6499 -9.4826 -9.5939 PRESSURE: 2589000 -41.8063 -23.5632 -1.67449 -23.5625 -66.5693 -18.7006 -1.67595 -18.701 -101.318 GPRESSURE: 2589000 -32.9653 -47.6244 68.8834 51.2326 7.19978 35.5823 -63.2102 -68.6894 -97.9207 PRESSAVG: 2589000 -5.20201 -12.6136 -21.6794 -12.6136 -62.5352 14.9378 -21.6795 14.9377 19.3378 GPRESSAVG: 2589000 -6.28052 -13.4457 -18.8529 -12.5245 -61.1194 16.4135 -23.6833 14.9639 18.5263 TIMING: 2589000 CPU: 7723.07, 0.00294847/step Wall: 7723.07, 0.00294847/step, 1.97466 hours remaining, 208.253906 MB of memory in use. ENERGY: 2589000 772.9298 2126.4999 1929.0426 114.8784 -206255.0317 17772.6663 0.0000 0.0000 34015.4875 -149523.5271 297.0657 -183539.0146 -149440.3240 298.3914 -69.8980 -41.2287 557178.4520 -16.1331 -16.2912 PRESSURE: 2589200 -261.642 70.2065 62.0014 70.207 -79.3899 146.264 62.0008 146.265 -131.639 GPRESSURE: 2589200 -225.26 -9.30955 76.1822 118.999 -34.3647 159.387 81.2794 100.67 -104.926 PRESSAVG: 2589200 -5.98331 11.7017 -28.146 11.7017 -1.6666 10.9149 -28.146 10.9149 9.93288 GPRESSAVG: 2589200 -5.38934 9.96039 -29.7965 11.2241 -2.3582 9.79444 -28.0021 10.3633 10.0686 TIMING: 2589200 CPU: 7723.65, 0.00292359/step Wall: 7723.65, 0.00292359/step, 1.95783 hours remaining, 208.253906 MB of memory in use. ENERGY: 2589200 761.3295 2040.2111 1949.7353 119.0625 -206008.7310 17439.3971 0.0000 0.0000 34234.7770 -149464.2186 298.9808 -183698.9956 -149369.1508 298.5490 -157.5569 -121.5170 556857.2143 0.7610 0.7737 PRESSURE: 2589400 -89.9247 90.101 73.7543 90.0999 3.76609 -92.3936 73.7534 -92.3929 36.6 GPRESSURE: 2589400 -29.5031 116.938 127.056 74.0155 20.0037 0.776572 72.2316 -62.8716 54.4251 PRESSAVG: 2589400 9.53752 -11.2363 10.7258 -11.2362 25.4142 -37.3712 10.7256 -37.3712 -16.1976 GPRESSAVG: 2589400 8.32947 -10.0137 9.62723 -9.69735 25.2268 -35.7429 11.3004 -37.4205 -15.3003 TIMING: 2589400 CPU: 7724.24, 0.00296058/step Wall: 7724.24, 0.00296058/step, 1.98244 hours remaining, 208.253906 MB of memory in use. ENERGY: 2589400 743.4006 2100.6959 1962.5724 115.4416 -206323.5043 17791.1449 0.0000 0.0000 34106.9387 -149503.3104 297.8644 -183610.2491 -149403.5391 298.0614 -16.5195 14.9752 557132.2521 6.2514 6.0853 PRESSURE: 2589600 5.29544 -159.387 -243.622 -159.388 -213.136 -85.9677 -243.622 -85.9692 -37.6104 GPRESSURE: 2589600 59.165 -271.145 -264.372 -151.714 -226.123 -84.9942 -200.575 -47.8788 15.5728 PRESSAVG: 2589600 33.3509 17.5085 -50.1713 17.5084 -0.0980209 -34.2827 -50.1713 -34.2826 -37.6231 GPRESSAVG: 2589600 33.5074 18.1633 -49.4452 17.0937 1.06741 -35.1848 -48.847 -34.2739 -38.6802 TIMING: 2589600 CPU: 7724.84, 0.00295712/step Wall: 7724.84, 0.00295712/step, 1.97996 hours remaining, 208.253906 MB of memory in use. ENERGY: 2589600 731.9510 2096.8012 1945.6702 104.8481 -206322.6632 17810.8990 0.0000 0.0000 34170.7917 -149461.7020 298.4220 -183632.4936 -149374.3297 298.5920 -81.8170 -50.4618 557284.3542 -1.4567 -1.3685 PRESSURE: 2589800 214.029 -29.8957 -99.0161 -29.8977 -174.443 -66.5994 -99.0158 -66.5993 -256.833 GPRESSURE: 2589800 208.55 27.9059 -183.672 11.9644 -86.3364 -2.42897 11.5247 -91.5652 -240.044 PRESSAVG: 2589800 -63.6698 11.727 -46.8412 11.7272 10.4438 -27.622 -46.8412 -27.6219 48.8079 GPRESSAVG: 2589800 -63.953 11.527 -46.2598 10.4259 10.2078 -25.0349 -46.6457 -27.7021 48.952 TIMING: 2589800 CPU: 7725.42, 0.00293262/step Wall: 7725.42, 0.00293262/step, 1.96339 hours remaining, 208.253906 MB of memory in use. ENERGY: 2589800 749.1077 2090.7600 1943.3702 119.1349 -206118.8778 17696.2585 0.0000 0.0000 34018.2824 -149501.9642 297.0901 -183520.2466 -149409.9888 298.5686 -72.4160 -39.2767 556716.0032 -1.4727 -1.5978 PRESSURE: 2590000 41.1327 82.0162 -60.4572 82.015 116.543 95.6184 -60.4576 95.617 -93.6278 GPRESSURE: 2590000 109.954 61.9656 -126.212 144.933 91.1402 131.399 0.412737 128.866 -45.0246 PRESSAVG: 2590000 3.65083 1.49314 -51.3813 1.4931 0.705324 15.9809 -51.3813 15.9808 -28.6131 GPRESSAVG: 2590000 4.04433 -0.168101 -51.6094 1.50322 1.50245 13.6837 -52.7751 16.9965 -29.7045 TIMING: 2590000 CPU: 7726.01, 0.00294311/step Wall: 7726.01, 0.00294311/step, 1.97025 hours remaining, 208.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2590000 764.2370 2145.0112 1916.1885 120.2333 -206171.4104 17843.2716 0.0000 0.0000 34051.7998 -149330.6690 297.3828 -183382.4688 -149233.6230 298.4586 21.3493 52.0232 557664.2044 -8.0856 -8.0526 PRESSURE: 2590200 189.611 -16.2702 84.7341 -16.2706 60.8866 -73.6104 84.7334 -73.6112 371.914 GPRESSURE: 2590200 234.788 -82.4408 88.8843 -8.10479 111.864 -43.5405 111.226 -71.8717 379.9 PRESSAVG: 2590200 24.7947 21.7848 -23.2904 21.7848 3.1792 1.92827 -23.2905 1.92842 14.6927 GPRESSAVG: 2590200 23.9 21.8137 -22.2532 22.7339 2.78222 1.69229 -23.186 1.59051 16.2754 TIMING: 2590200 CPU: 7726.6, 0.00295655/step Wall: 7726.6, 0.00295655/step, 1.97908 hours remaining, 208.253906 MB of memory in use. ENERGY: 2590200 742.7467 2052.4394 1927.5862 119.7742 -206357.8057 17976.1115 0.0000 0.0000 34179.2530 -149359.8947 298.4959 -183539.1477 -149260.0674 298.7329 207.4707 242.1837 558059.8521 14.2222 14.3192 PRESSURE: 2590400 -56.9828 -81.4708 13.2941 -81.4705 159.04 -105.746 13.2941 -105.746 155.776 GPRESSURE: 2590400 -1.82342 -63.8587 40.3244 -79.3805 154.468 -70.4696 70.689 -145.596 213.377 PRESSAVG: 2590400 -108.612 -4.73683 8.69042 -4.73681 59.5995 -2.59426 8.69044 -2.59414 45.741 GPRESSAVG: 2590400 -107.802 -3.27268 8.79366 -5.72639 59.6719 -3.81323 9.72401 -2.33745 44.7894 TIMING: 2590400 CPU: 7727.19, 0.00296227/step Wall: 7727.19, 0.00296227/step, 1.98275 hours remaining, 208.253906 MB of memory in use. ENERGY: 2590400 741.0790 2080.9016 1936.6886 117.3953 -206357.2167 18040.3152 0.0000 0.0000 34186.6940 -149254.1431 298.5609 -183440.8371 -149156.0626 298.3654 85.9442 122.0072 558753.9856 -1.0904 -1.1135 PRESSURE: 2590600 -10.9404 137.723 178.646 137.723 49.959 10.2621 178.646 10.2612 12.4616 GPRESSURE: 2590600 74.8465 89.3545 98.4928 257.724 72.0084 -34.1395 193.175 64.7653 25.2265 PRESSAVG: 2590600 8.52281 20.3025 7.88245 20.3026 27.1948 16.4967 7.88253 16.4967 -46.2822 GPRESSAVG: 2590600 8.30182 18.3769 5.7624 21.3715 25.7715 16.906 7.26453 16.6737 -44.4102 TIMING: 2590600 CPU: 7727.79, 0.00296564/step Wall: 7727.79, 0.00296564/step, 1.98484 hours remaining, 208.253906 MB of memory in use. ENERGY: 2590600 770.1603 2052.8447 1953.3327 124.2765 -206594.9367 18049.2795 0.0000 0.0000 34460.6370 -149184.4058 300.9533 -183645.0429 -149086.6548 299.6177 17.1600 57.3605 558102.4701 -3.5215 -3.4456 PRESSURE: 2590800 15.2894 -26.1344 -29.1785 -26.1344 -79.1823 23.8591 -29.178 23.8602 52.094 GPRESSURE: 2590800 38.4229 -28.0033 70.4754 8.4626 -13.7657 38.6932 -115.038 -27.957 63.6079 PRESSAVG: 2590800 10.1933 47.0324 -10.9532 47.0325 -58.6984 10.2279 -10.9531 10.2279 76.2917 GPRESSAVG: 2590800 9.95061 48.07 -10.4577 46.5061 -57.9043 10.3983 -10.7884 11.0455 75.7236 TIMING: 2590800 CPU: 7728.38, 0.0029595/step Wall: 7728.38, 0.0029595/step, 1.98056 hours remaining, 208.253906 MB of memory in use. ENERGY: 2590800 720.5135 2083.9395 1902.2847 108.6461 -206101.2742 17736.5140 0.0000 0.0000 34395.0830 -149154.2934 300.3808 -183549.3765 -149058.4698 300.0566 -3.9330 29.4217 557073.9775 9.2622 9.2566 PRESSURE: 2591000 -243.993 43.7822 80.3141 43.7826 159.625 -212.101 80.3142 -212.1 82.3832 GPRESSURE: 2591000 -228.38 93.489 206.818 -36.2064 211.156 -203.041 -17.8741 -200.214 101.31 PRESSAVG: 2591000 -66.3834 16.8197 -22.7594 16.8198 -19.5291 -28.7894 -22.7594 -28.7894 79.3483 GPRESSAVG: 2591000 -65.6425 18.053 -21.2065 15.9324 -19.3605 -28.7526 -22.0173 -30.8294 79.0062 TIMING: 2591000 CPU: 7728.97, 0.00297553/step Wall: 7728.97, 0.00297553/step, 1.99112 hours remaining, 208.253906 MB of memory in use. ENERGY: 2591000 715.6719 2124.8203 1940.9090 113.2901 -206124.1611 17701.8034 0.0000 0.0000 34422.0226 -149105.6438 300.6161 -183527.6664 -149015.2485 300.1966 -0.6618 28.0286 557355.2304 -2.1881 -1.9989 PRESSURE: 2591200 -208.533 -157.987 138.816 -157.988 -145.69 60.2905 138.816 60.2918 137.584 GPRESSURE: 2591200 -158.338 -185.368 86.2497 -106.355 -100.444 78.9691 137.984 34.431 131.035 PRESSAVG: 2591200 48.8338 -23.9651 34.9268 -23.965 -10.1315 -56.147 34.9268 -56.147 6.37984 GPRESSAVG: 2591200 48.3675 -26.7723 35.7761 -22.0861 -10.0661 -55.2068 32.9343 -56.085 6.62659 TIMING: 2591200 CPU: 7729.57, 0.00296379/step Wall: 7729.57, 0.00296379/step, 1.98311 hours remaining, 208.253906 MB of memory in use. ENERGY: 2591200 714.0037 2065.1394 1960.1250 107.3950 -205709.4246 17594.3612 0.0000 0.0000 34305.3897 -148963.0106 299.5975 -183268.4002 -148867.8646 300.0344 -72.2131 -42.5824 558821.0116 15.0274 14.9760 PRESSURE: 2591400 -4.76871 -153.336 -34.5736 -153.336 -326.576 -12.9958 -34.5729 -12.9946 -294.292 GPRESSURE: 2591400 89.2384 -151.538 23.4139 -212.731 -279.475 7.02329 -71.5161 -42.852 -330.22 PRESSAVG: 2591400 -53.0232 -38.0478 58.5988 -38.0478 12.3693 -39.6957 58.5989 -39.6956 21.3808 GPRESSAVG: 2591400 -52.704 -35.499 57.7438 -38.1826 12.4276 -39.5969 59.9874 -39.8047 21.0629 TIMING: 2591400 CPU: 7730.16, 0.0029677/step Wall: 7730.16, 0.0029677/step, 1.98556 hours remaining, 208.253906 MB of memory in use. ENERGY: 2591400 736.5265 2162.6146 1944.5386 100.1019 -205843.3286 17454.3376 0.0000 0.0000 34450.1516 -148995.0576 300.8617 -183445.2092 -148894.4496 300.2292 -208.5457 -173.4856 559011.8386 -6.4243 -6.4045 PRESSURE: 2591600 -57.4282 -28.2306 27.0422 -28.229 -138.619 -170.315 27.042 -170.317 58.2379 GPRESSURE: 2591600 -39.5223 -66.6766 -23.9271 -64.139 -24.7496 -236.3 18.6964 -127.187 29.1716 PRESSAVG: 2591600 47.2821 -18.624 9.76453 -18.6239 -20.0124 41.3389 9.76465 41.339 -31.4354 GPRESSAVG: 2591600 47.1558 -17.8615 8.63194 -20.5675 -19.6873 40.7851 9.40835 42.2422 -31.8126 TIMING: 2591600 CPU: 7730.76, 0.00300051/step Wall: 7730.76, 0.00300051/step, 2.00734 hours remaining, 208.253906 MB of memory in use. ENERGY: 2591600 735.2452 2060.0704 1944.9320 125.3633 -205949.1700 17682.6489 0.0000 0.0000 34177.6278 -149223.2825 298.4817 -183400.9103 -149120.6597 299.5990 -45.9363 -11.7001 557558.6996 -1.3886 -1.4480 PRESSURE: 2591800 -86.6611 39.0832 34.7927 39.083 86.8217 -106.303 34.7926 -106.302 56.4784 GPRESSURE: 2591800 -10.5116 55.6758 30.3942 -3.56976 99.3943 -120.626 31.3875 -149.25 70.183 PRESSAVG: 2591800 31.5957 -34.3332 3.87218 -34.3331 -20.0722 -57.7159 3.87215 -57.7158 12.0744 GPRESSAVG: 2591800 31.1605 -35.359 2.19522 -34.1972 -21.7465 -58.3165 5.33778 -58.3487 13.9519 TIMING: 2591800 CPU: 7731.35, 0.00296834/step Wall: 7731.35, 0.00296834/step, 1.98565 hours remaining, 208.253906 MB of memory in use. ENERGY: 2591800 738.5509 2115.1941 1918.4695 108.0125 -206009.3063 17725.3675 0.0000 0.0000 33975.3912 -149428.3206 296.7155 -183403.7118 -149335.3069 298.3197 18.8796 53.0219 558599.5061 7.8660 7.7886 PRESSURE: 2592000 -151.159 -49.1111 -3.6123 -49.111 -245.365 166.419 -3.61255 166.42 -35.4717 GPRESSURE: 2592000 -84.5982 -74.3118 26.9402 -13.1196 -198.659 172.865 -13.478 159.11 -47.7953 PRESSAVG: 2592000 -46.1446 1.76986 -22.4792 1.76988 -1.83397 5.73429 -22.4792 5.73432 18.5065 GPRESSAVG: 2592000 -46.8961 0.960665 -19.7999 3.17717 -0.400257 6.55535 -25.844 6.55231 17.0807 TIMING: 2592000 CPU: 7731.95, 0.00297903/step Wall: 7731.95, 0.00297903/step, 1.99264 hours remaining, 208.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2592000 731.2800 2124.5658 1907.7290 104.3545 -206292.0178 17762.6442 0.0000 0.0000 34235.4698 -149425.9745 298.9869 -183661.4443 -149322.0457 298.8504 -143.9987 -110.3510 558420.4303 -9.8240 -10.0719 PRESSURE: 2592200 210.339 -84.2514 2.66543 -84.2513 -139.35 -25.5556 2.66674 -25.5563 -164.309 GPRESSURE: 2592200 265.663 -128.853 81.27 -160.379 -111.051 -44.9964 14.6394 -16.3644 -137.017 PRESSAVG: 2592200 -62.3268 -43.1568 -8.83073 -43.1568 5.4943 -11.9575 -8.83074 -11.9574 14.849 GPRESSAVG: 2592200 -62.392 -41.8879 -10.6307 -45.0176 5.55792 -11.7491 -6.1365 -13.3562 14.6085 TIMING: 2592200 CPU: 7732.55, 0.00297565/step Wall: 7732.55, 0.00297565/step, 1.99021 hours remaining, 208.253906 MB of memory in use. ENERGY: 2592200 740.3316 2048.2309 1949.1405 105.8791 -206369.6282 17819.0610 0.0000 0.0000 34329.3624 -149377.6228 299.8069 -183706.9852 -149268.0581 299.5390 -31.1065 5.8648 557452.8481 -13.9945 -14.0752 LDB: ============= START OF LOAD BALANCING ============== 7736.09 LDB: ============== END OF LOAD BALANCING =============== 7736.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7736.09 LDB: ============= START OF LOAD BALANCING ============== 7736.39 LDB: Largest compute 4773 load 0.025368 is 21.5% of average load 0.118199 LDB: Average compute 0.001737 is 1.5% of average load 0.118199 LDB: TIME 7736.39 LOAD: AVG 0.118199 MAX 0.202265 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.52 MB LDB: TIME 7736.39 LOAD: AVG 0.118199 MAX 0.202265 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.52 MB LDB: TIME 7736.39 LOAD: AVG 0.118199 MAX 0.202265 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.52 MB LDB: ============== END OF LOAD BALANCING =============== 7736.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7736.4 PRESSURE: 2592400 -166.692 187.594 229.663 187.593 57.0564 44.2131 229.663 44.2132 -203.128 GPRESSURE: 2592400 -174.167 170.225 223.135 99.7613 128.281 72.8354 328.715 64.6431 -178.179 PRESSAVG: 2592400 -49.5042 -18.009 47.2887 -18.009 9.4294 -23.1358 47.2887 -23.1358 40.9206 GPRESSAVG: 2592400 -49.1813 -19.8578 48.7101 -16.7926 8.36492 -23.9813 47.6266 -22.414 41.6709 TIMING: 2592400 CPU: 7733.15, 0.00300512/step Wall: 7733.15, 0.00300512/step, 2.00975 hours remaining, 207.289062 MB of memory in use. ENERGY: 2592400 783.5563 2106.4261 1936.6436 102.9492 -206769.5159 17897.1390 0.0000 0.0000 34366.9999 -149575.8020 300.1356 -183942.8018 -149477.0275 298.3898 -104.2547 -74.6882 558124.6572 0.2819 0.2848 PRESSURE: 2592600 -221.04 -171.654 103.643 -171.654 -87.6478 62.4871 103.644 62.4852 -52.3037 GPRESSURE: 2592600 -201.571 -222.894 100.672 -143.535 -45.2125 55.4274 137.918 5.84663 -14.9788 PRESSAVG: 2592600 -76.0108 -11.1403 35.3693 -11.1403 22.0102 -31.0585 35.3692 -31.0585 55.5624 GPRESSAVG: 2592600 -75.6713 -10.0552 34.7732 -11.7158 21.4416 -29.9517 35.1012 -29.5735 56.3039 TIMING: 2592600 CPU: 7733.74, 0.00296378/step Wall: 7733.74, 0.00296378/step, 1.98195 hours remaining, 207.289062 MB of memory in use. ENERGY: 2592600 767.5153 1999.2530 1931.0078 99.2848 -206566.9605 18016.5273 0.0000 0.0000 34253.2730 -149500.0993 299.1424 -183753.3723 -149405.5455 298.6250 -120.3304 -87.2540 559385.6326 0.5206 0.6914 PRESSURE: 2592800 27.3045 114.737 26.0994 114.737 -77.4534 -28.9012 26.0991 -28.9006 -112.262 GPRESSURE: 2592800 57.5514 122.827 -29.8736 92.9072 -39.7633 -53.6575 34.0979 -57.4576 -78.8741 PRESSAVG: 2592800 -78.0069 24.9116 58.4601 24.9116 20.5359 -3.00769 58.4601 -3.00782 32.6073 GPRESSAVG: 2592800 -78.059 24.3798 58.967 23.9323 20.9701 -2.86538 57.6393 -5.5964 32.2341 TIMING: 2592800 CPU: 7734.33, 0.00297444/step Wall: 7734.33, 0.00297444/step, 1.98891 hours remaining, 207.289062 MB of memory in use. ENERGY: 2592800 740.7440 2080.2693 1955.4077 116.2197 -206377.2964 17864.0635 0.0000 0.0000 34193.0392 -149427.5531 298.6163 -183620.5922 -149326.3223 299.0396 -54.1371 -20.3620 559830.7141 -8.2879 -8.2849 PRESSURE: 2593000 -127.154 82.7287 -45.795 82.7273 -411.91 281.977 -45.7961 281.976 -67.1766 GPRESSURE: 2593000 -87.7146 125.258 -39.0575 49.9084 -342.471 173.311 -46.0554 228.663 -81.02 PRESSAVG: 2593000 -1.23075 -5.70381 49.6224 -5.7037 10.4502 -17.5631 49.6224 -17.563 -12.5017 GPRESSAVG: 2593000 -0.822801 -4.3386 49.1951 -3.924 11.1505 -19.3623 52.1339 -16.7777 -13.0734 TIMING: 2593000 CPU: 7734.93, 0.00299258/step Wall: 7734.93, 0.00299258/step, 2.00087 hours remaining, 207.289062 MB of memory in use. ENERGY: 2593000 721.7543 2040.8412 1949.7086 115.2093 -206265.8889 17715.8441 0.0000 0.0000 34331.0098 -149391.5217 299.8212 -183722.5314 -149296.6760 298.4744 -202.0802 -170.4018 559545.4031 -1.0941 -0.9152 PRESSURE: 2593200 -110.638 -135.597 -30.8732 -135.597 -46.4671 68.5708 -30.8714 68.5704 -101.692 GPRESSURE: 2593200 -96.1 -120.86 11.6327 -79.5284 15.6724 100.526 -79.5178 -63.753 -85.8836 PRESSAVG: 2593200 -0.927536 -14.2046 16.2846 -14.2045 -24.0794 -0.786027 16.2845 -0.78597 15.1703 GPRESSAVG: 2593200 -0.95541 -17.2733 16.3348 -13.6073 -23.5049 -0.893138 11.9741 -0.532165 14.7754 TIMING: 2593200 CPU: 7735.53, 0.00296536/step Wall: 7735.53, 0.00296536/step, 1.98251 hours remaining, 207.289062 MB of memory in use. ENERGY: 2593200 747.8153 2016.2358 1936.8799 108.4863 -206146.2001 17711.2482 0.0000 0.0000 34174.4973 -149451.0373 298.4544 -183625.5346 -149358.5672 298.4030 -86.2657 -55.4371 558094.6066 -3.2789 -3.2283 PRESSURE: 2593400 262.692 185.333 -97.4752 185.333 -34.4529 -197.53 -97.4735 -197.53 43.8178 GPRESSURE: 2593400 244.132 131.04 -80.4413 219.403 3.09199 -136.81 -108.896 -146.966 107.44 PRESSAVG: 2593400 11.465 93.188 -46.3551 93.1881 2.29273 16.9064 -46.3551 16.9063 13.936 GPRESSAVG: 2593400 10.9346 92.2126 -44.9955 93.0634 2.10547 19.41 -44.9373 15.4976 15.1565 TIMING: 2593400 CPU: 7736.11, 0.00294538/step Wall: 7736.11, 0.00294538/step, 1.96899 hours remaining, 207.289062 MB of memory in use. ENERGY: 2593400 777.5941 2065.6056 1941.0024 104.3062 -206401.5388 17967.4108 0.0000 0.0000 34348.4570 -149197.1627 299.9736 -183545.6197 -149096.0287 298.8259 90.6857 118.2215 556571.6797 9.2312 9.3989 PRESSURE: 2593600 -177.393 13.8939 85.7826 13.892 -28.2863 47.2106 85.7815 47.2106 -172.276 GPRESSURE: 2593600 -212.394 -4.96914 61.7268 19.4307 43.8958 70.2039 107.125 40.9685 -111.452 PRESSAVG: 2593600 -53.2467 7.32226 -21.0047 7.32221 13.0466 8.73154 -21.0047 8.73161 76.3456 GPRESSAVG: 2593600 -52.9849 8.89237 -24.163 8.15516 13.0893 6.44562 -18.407 11.0178 76.0857 TIMING: 2593600 CPU: 7736.7, 0.00294004/step Wall: 7736.7, 0.00294004/step, 1.96525 hours remaining, 207.289062 MB of memory in use. ENERGY: 2593600 752.7417 2142.5101 1952.7711 107.4114 -206062.5572 17505.8984 0.0000 0.0000 34341.5038 -149259.7207 299.9129 -183601.2245 -149162.1748 299.2521 -125.9851 -93.3168 555793.8155 12.0485 12.0634 PRESSURE: 2593800 -79.7256 42.6968 -163.749 42.698 88.9361 -4.10125 -163.75 -4.10263 -214.241 GPRESSURE: 2593800 -13.3665 78.4817 -179.802 129.161 129.362 25.4228 -156.32 -10.1021 -234.371 PRESSAVG: 2593800 -21.841 -15.0293 -4.6744 -15.0294 70.3196 9.50918 -4.67439 9.50905 -48.5862 GPRESSAVG: 2593800 -21.8103 -14.3557 -2.54597 -18.0794 69.98 11.7337 -6.76369 8.23774 -48.6588 TIMING: 2593800 CPU: 7737.29, 0.00295466/step Wall: 7737.29, 0.00295466/step, 1.97486 hours remaining, 207.289062 MB of memory in use. ENERGY: 2593800 774.9979 2134.9390 1948.3136 117.8141 -206348.4969 17790.9957 0.0000 0.0000 34312.0159 -149269.4207 299.6554 -183581.4366 -149174.3478 299.0165 -68.3437 -39.4584 556865.7504 -0.0359 -0.1630 PRESSURE: 2594000 11.0496 96.3415 43.0728 96.3406 37.1703 -227.104 43.0739 -227.104 41.5824 GPRESSURE: 2594000 74.1346 102.129 94.43 53.5 101.953 -132.949 46.3127 -215.632 5.273 PRESSAVG: 2594000 65.2315 27.3187 -60.9556 27.3187 -48.1882 -23.3945 -60.9556 -23.3945 20.1006 GPRESSAVG: 2594000 65.6639 29.4173 -60.0625 25.401 -48.1851 -24.2408 -62.6729 -22.7567 19.4385 TIMING: 2594000 CPU: 7737.88, 0.0029499/step Wall: 7737.88, 0.0029499/step, 1.97152 hours remaining, 207.289062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2594000 748.0767 2088.2042 1954.4422 122.0525 -206186.0712 17762.9241 0.0000 0.0000 34218.8317 -149291.5398 298.8416 -183510.3715 -149190.1623 298.7174 29.9341 60.4535 557690.7569 12.3813 12.3058 PRESSURE: 2594200 -50.7244 0.926629 -13.8121 0.928666 -122.992 -18.4636 -13.8089 -18.4638 -116.619 GPRESSURE: 2594200 -56.713 -63.9549 -61.1754 23.06 -112.819 -85.0168 17.4797 31.3633 -11.5567 PRESSAVG: 2594200 -23.13 -20.8701 -13.9501 -20.8701 -3.9325 2.35933 -13.9499 2.35934 -12.3149 GPRESSAVG: 2594200 -22.8883 -21.7217 -15.6221 -19.2564 -4.50086 2.56518 -12.6287 2.66227 -12.2347 TIMING: 2594200 CPU: 7738.48, 0.00298312/step Wall: 7738.48, 0.00298312/step, 1.99356 hours remaining, 207.488281 MB of memory in use. ENERGY: 2594200 746.5992 2065.4796 1960.2078 126.1034 -206150.3423 17806.8715 0.0000 0.0000 34255.7356 -149189.3451 299.1639 -183445.0807 -149090.8649 298.7903 -96.7783 -60.3630 557606.0935 -13.1258 -13.2080 PRESSURE: 2594400 132.834 60.7585 -36.6806 60.758 202.858 40.356 -36.6806 40.3571 1.27038 GPRESSURE: 2594400 149.404 60.8121 -56.5533 138.087 270.925 7.96988 40.5319 2.72197 19.8453 PRESSAVG: 2594400 -119.078 -0.202489 -42.2704 -0.202569 79.6517 5.31678 -42.2705 5.31676 51.1387 GPRESSAVG: 2594400 -118.708 -1.5948 -43.8387 1.94476 79.0138 3.32086 -41.8887 6.37775 51.4817 TIMING: 2594400 CPU: 7739.07, 0.00297246/step Wall: 7739.07, 0.00297246/step, 1.98626 hours remaining, 207.488281 MB of memory in use. ENERGY: 2594400 746.7870 2114.2405 1959.8465 120.2374 -206383.7957 17868.3426 0.0000 0.0000 34088.5887 -149485.7529 297.7041 -183574.3416 -149387.8444 298.8166 112.3209 146.7248 556273.5843 3.9042 3.9290 PRESSURE: 2594600 -27.3079 -9.0083 233.723 -9.0084 -17.1487 -140.626 233.723 -140.626 228.162 GPRESSURE: 2594600 3.82276 -43.5323 164.213 62.7998 6.61753 -48.3966 157.387 -277.237 275.464 PRESSAVG: 2594600 -26.2511 -4.10249 65.0864 -4.10244 18.1708 28.4142 65.0866 28.4144 -11.0511 GPRESSAVG: 2594600 -27.4561 -1.42923 66.0537 -6.51921 17.9939 27.0523 64.3702 28.4167 -9.78344 TIMING: 2594600 CPU: 7739.67, 0.00296841/step Wall: 7739.67, 0.00296841/step, 1.98339 hours remaining, 207.488281 MB of memory in use. ENERGY: 2594600 767.1150 2085.9924 1953.1253 104.9596 -206457.7650 17916.8843 0.0000 0.0000 34356.7525 -149272.9360 300.0461 -183629.6886 -149175.5761 298.6301 61.2351 95.3015 556637.4604 -6.3771 -6.4152 PRESSURE: 2594800 342.386 -54.7486 -192.766 -54.7495 100.941 -108.648 -192.765 -108.648 -154.411 GPRESSURE: 2594800 375.617 32.5201 -183.842 -63.0013 44.7644 -59.3437 -84.2327 -119.22 -28.7826 PRESSAVG: 2594800 -7.45294 -23.973 -6.65324 -23.973 -1.34288 -6.58097 -6.65325 -6.58086 -7.65131 GPRESSAVG: 2594800 -6.21048 -24.3571 -4.61349 -23.6223 -0.376781 -3.11416 -6.06434 -8.85125 -9.35209 TIMING: 2594800 CPU: 7740.26, 0.0029731/step Wall: 7740.26, 0.0029731/step, 1.98636 hours remaining, 207.488281 MB of memory in use. ENERGY: 2594800 742.3647 2067.3963 1968.7170 103.1087 -206427.9524 17998.5495 0.0000 0.0000 34390.2050 -149157.6112 300.3382 -183547.8162 -149055.0226 299.5217 96.3051 130.5328 556268.8219 -5.4824 -5.3131 PRESSURE: 2595000 63.0971 -119.788 83.3579 -119.787 -180.624 40.3776 83.3574 40.3782 -85.6798 GPRESSURE: 2595000 118.173 -116.851 67.3768 -144 -174.318 91.877 108.672 -1.34264 -55.0991 PRESSAVG: 2595000 32.6959 -13.1539 13.6859 -13.154 -51.4721 -33.8027 13.6859 -33.8025 19.3726 GPRESSAVG: 2595000 31.7353 -15.8118 13.9134 -11.5976 -51.0376 -37.4251 12.1981 -32.9118 20.0076 TIMING: 2595000 CPU: 7740.86, 0.00296197/step Wall: 7740.86, 0.00296197/step, 1.97876 hours remaining, 207.488281 MB of memory in use. ENERGY: 2595000 735.1814 2098.1480 1932.9175 109.4663 -206189.1450 17779.9031 0.0000 0.0000 34327.7786 -149205.7501 299.7930 -183533.5287 -149106.5615 298.9246 -67.7355 -37.0811 557776.3309 0.1988 0.2351 PRESSURE: 2595200 -149.165 -39.6763 -162.871 -39.6761 27.0156 25.9815 -162.87 25.9809 79.5213 GPRESSURE: 2595200 -142.533 -123.531 -56.3924 43.4328 115.684 49.609 -200.459 2.08883 87.1514 PRESSAVG: 2595200 2.02847 -15.7004 7.92288 -15.7004 2.73475 27.7057 7.92293 27.7056 13.4181 GPRESSAVG: 2595200 1.67919 -15.9246 8.08841 -16.2827 2.93367 30.5432 8.62068 27.0317 13.8647 TIMING: 2595200 CPU: 7741.45, 0.00297984/step Wall: 7741.45, 0.00297984/step, 1.99053 hours remaining, 207.488281 MB of memory in use. ENERGY: 2595200 721.5454 2062.9885 1965.6549 109.1911 -206532.4061 18018.9958 0.0000 0.0000 34351.6667 -149302.3638 300.0016 -183654.0304 -149200.6768 298.7110 -14.2092 20.1006 557056.5933 6.0605 6.1592 PRESSURE: 2595400 -75.2259 23.4027 52.1719 23.4035 -77.8027 49.896 52.1712 49.8951 41.0338 GPRESSURE: 2595400 -71.7134 20.6821 10.9429 34.3143 -59.6003 -14.3092 117.347 28.9307 125.968 PRESSAVG: 2595400 -59.1201 -15.0652 17.6557 -15.0652 31.8474 17.1776 17.6556 17.1776 54.2756 GPRESSAVG: 2595400 -57.7171 -13.9613 16.2902 -15.639 31.6136 18.0797 18.6913 15.1474 53.515 TIMING: 2595400 CPU: 7742.04, 0.00296442/step Wall: 7742.04, 0.00296442/step, 1.98007 hours remaining, 207.488281 MB of memory in use. ENERGY: 2595400 780.3542 2113.5692 1951.5613 111.5817 -205950.0761 17686.9944 0.0000 0.0000 34151.8112 -149154.2042 298.2563 -183306.0154 -149066.1015 299.3652 -37.3316 -1.7818 557325.4495 9.0010 9.1371 PRESSURE: 2595600 15.2769 -81.5828 153.27 -81.5831 -79.3561 -44.0942 153.27 -44.0944 14.4979 GPRESSURE: 2595600 38.0552 -42.5569 193.969 -107.003 -90.9067 -110.12 77.6062 57.4306 97.6823 PRESSAVG: 2595600 -38.1758 1.47056 13.7134 1.47058 -22.8389 53.0303 13.7133 53.0304 19.2781 GPRESSAVG: 2595600 -39.0193 1.73495 16.1096 2.72776 -22.9936 49.6924 12.2183 56.43 21.3236 TIMING: 2595600 CPU: 7742.63, 0.00294276/step Wall: 7742.63, 0.00294276/step, 1.96543 hours remaining, 207.488281 MB of memory in use. ENERGY: 2595600 761.1625 2136.6105 1948.9209 115.0772 -206007.7803 17784.8690 0.0000 0.0000 34266.0053 -148995.1348 299.2535 -183261.1401 -148904.0827 300.1623 -16.5271 14.9436 558824.9030 -13.9122 -13.5631 PRESSURE: 2595800 -87.5577 65.5669 -164.755 65.5676 -38.3361 -66.0753 -164.755 -66.0756 153.652 GPRESSURE: 2595800 -87.5978 115.652 -182.65 72.4209 37.4661 -68.2299 -159.744 -14.5445 168.914 PRESSAVG: 2595800 16.8899 9.36856 -57.9025 9.36865 -53.7793 94.7675 -57.9024 94.7674 42.1629 GPRESSAVG: 2595800 16.2461 10.2314 -59.1529 7.73741 -52.3857 95.5712 -57.6583 95.8158 41.5943 TIMING: 2595800 CPU: 7743.23, 0.00296751/step Wall: 7743.23, 0.00296751/step, 1.9818 hours remaining, 207.488281 MB of memory in use. ENERGY: 2595800 770.2104 2082.1498 1916.0197 103.6541 -206587.2251 17885.1871 0.0000 0.0000 34487.9242 -149342.0797 301.1916 -183830.0040 -149240.2755 299.0774 9.2527 39.5942 557169.0565 1.7578 1.8183 PRESSURE: 2596000 37.267 -57.5748 -122.253 -57.5747 -210.214 -154.525 -122.252 -154.524 137.667 GPRESSURE: 2596000 104.759 -103.547 -69.85 -34.5856 -200.291 -165.195 -202.66 -114.932 165.233 PRESSAVG: 2596000 -18.4685 21.8673 -1.40618 21.8673 -8.36226 43.8889 -1.40605 43.8889 5.0081 GPRESSAVG: 2596000 -16.4615 21.1283 -0.161354 22.8975 -8.72524 43.8819 -0.937992 42.6952 3.40789 TIMING: 2596000 CPU: 7743.83, 0.00299953/step Wall: 7743.83, 0.00299953/step, 2.00302 hours remaining, 207.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2596000 773.0359 2096.6361 1946.8138 114.2563 -206182.1999 17704.0159 0.0000 0.0000 34155.1158 -149392.3261 298.2851 -183547.4419 -149296.4698 298.2592 -11.7600 23.2338 556238.4108 -7.2742 -7.2596 PRESSURE: 2596200 -168.152 8.26811 -183.527 8.26813 -153.311 111.035 -183.527 111.035 -22.201 GPRESSURE: 2596200 -143.724 -2.38798 -221.926 38.028 -67.1461 35.0811 -212.576 124.285 -36.5476 PRESSAVG: 2596200 4.783 18.6376 -25.7876 18.6375 -33.7775 -18.3592 -25.7876 -18.3592 37.9849 GPRESSAVG: 2596200 3.48238 20.0201 -27.1055 17.6046 -33.808 -16.4696 -25.1904 -20.0854 39.1685 TIMING: 2596200 CPU: 7744.42, 0.00296266/step Wall: 7744.42, 0.00296266/step, 1.97824 hours remaining, 207.488281 MB of memory in use. ENERGY: 2596200 711.0889 2091.6544 1949.5482 111.5038 -206138.6304 17639.2326 0.0000 0.0000 34170.3463 -149465.2562 298.4181 -183635.6025 -149371.2776 298.4277 -114.5547 -82.4724 558541.5709 2.9968 2.9476 LDB: ============= START OF LOAD BALANCING ============== 7747.97 LDB: ============== END OF LOAD BALANCING =============== 7747.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7747.97 LDB: ============= START OF LOAD BALANCING ============== 7748.27 LDB: Largest compute 4773 load 0.027433 is 23.2% of average load 0.118284 LDB: Average compute 0.001739 is 1.5% of average load 0.118284 LDB: TIME 7748.27 LOAD: AVG 0.118284 MAX 0.201696 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.031 MB LDB: TIME 7748.27 LOAD: AVG 0.118284 MAX 0.201696 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.234 MB LDB: TIME 7748.27 LOAD: AVG 0.118284 MAX 0.201696 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.234 MB LDB: ============== END OF LOAD BALANCING =============== 7748.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7748.27 PRESSURE: 2596400 -249.337 119.14 -10.7923 119.14 180.966 10.4293 -10.7919 10.4307 -143.711 GPRESSURE: 2596400 -207.327 203.332 33.9307 41.6701 201.829 13.2423 -0.652136 -51.7744 -124.863 PRESSAVG: 2596400 7.56104 -7.60128 -29.6174 -7.60131 -15.2133 -29.9424 -29.6174 -29.9423 49.7123 GPRESSAVG: 2596400 7.59852 -8.37586 -31.3794 -6.00902 -14.9798 -30.9033 -27.1842 -28.8808 48.9131 TIMING: 2596400 CPU: 7745.02, 0.00302779/step Wall: 7745.02, 0.00302779/step, 2.02155 hours remaining, 207.542969 MB of memory in use. ENERGY: 2596400 777.7513 2118.4476 1948.9860 120.1399 -206053.8196 17574.3260 0.0000 0.0000 34016.8424 -149497.3263 297.0775 -183514.1688 -149404.8930 298.5704 -70.6937 -43.4537 556512.6134 14.0200 13.8439 PRESSURE: 2596600 138.344 121.528 85.0247 121.529 60.6128 -31.3367 85.0247 -31.336 -18.124 GPRESSURE: 2596600 170.189 120.898 133.648 113.062 62.8682 41.1628 75.6534 -66.7447 42.0075 PRESSAVG: 2596600 -13.1832 25.6418 42.3109 25.6418 33.9067 -3.22735 42.3109 -3.22741 -1.71575 GPRESSAVG: 2596600 -14.497 26.0723 43.3504 24.6866 33.1283 -3.24897 41.3965 -2.3257 0.116811 TIMING: 2596600 CPU: 7745.62, 0.00295704/step Wall: 7745.62, 0.00295704/step, 1.97415 hours remaining, 207.785156 MB of memory in use. ENERGY: 2596600 748.5302 2031.6910 1930.8272 108.0618 -206451.4401 17950.4874 0.0000 0.0000 34092.4955 -149589.3471 297.7382 -183681.8425 -149481.1822 297.7763 60.2778 91.6883 557221.8658 6.3359 6.2494 PRESSURE: 2596800 149.146 96.8898 -42.6887 96.8904 33.2122 -106.964 -42.6893 -106.964 329.765 GPRESSURE: 2596800 206.951 59.3958 -53.307 135.12 26.6017 -103.555 -80.7183 -85.034 372.488 PRESSAVG: 2596800 -64.3496 29.5062 78.6833 29.5063 43.0832 3.79095 78.6833 3.79106 11.6072 GPRESSAVG: 2596800 -64.0892 30.3194 79.1534 28.4553 44.6229 3.89022 78.6404 2.08243 9.40438 TIMING: 2596800 CPU: 7746.21, 0.00297888/step Wall: 7746.21, 0.00297888/step, 1.98857 hours remaining, 207.785156 MB of memory in use. ENERGY: 2596800 732.9607 2062.5807 1921.6130 108.8483 -206667.6040 18036.0820 0.0000 0.0000 34191.6428 -149613.8765 298.6041 -183805.5193 -149511.9257 298.1671 170.7080 202.0135 556305.1625 -3.2197 -3.3540 PRESSURE: 2597000 -56.4494 15.959 35.4818 15.9596 -89.6027 -19.4122 35.4811 -19.4123 -97.9565 GPRESSURE: 2597000 -18.0347 10.7255 19.1014 41.97 -93.434 -71.5878 0.578647 60.4774 -53.5068 PRESSAVG: 2597000 40.5955 21.3309 24.5294 21.3309 -47.4258 87.88 24.5293 87.8799 -9.91614 GPRESSAVG: 2597000 41.0639 23.0186 24.9411 20.1658 -49.9047 86.1692 23.773 88.7392 -8.33682 TIMING: 2597000 CPU: 7746.8, 0.00296326/step Wall: 7746.8, 0.00296326/step, 1.97797 hours remaining, 207.785156 MB of memory in use. ENERGY: 2597000 737.7317 2101.0671 1925.1158 120.6466 -206205.0041 17788.8484 0.0000 0.0000 34039.3530 -149492.2415 297.2741 -183531.5945 -149399.1324 298.1363 -81.3362 -54.9919 557319.2833 -5.5822 -5.7259 PRESSURE: 2597200 179.915 162.688 15.4518 162.69 -158.82 -156.895 15.4527 -156.895 55.4156 GPRESSURE: 2597200 163.267 52.486 4.73294 130.04 -92.8605 -99.8088 -15.3284 -140.618 97.0752 PRESSAVG: 2597200 29.6366 33.4654 -27.9814 33.4655 -67.3986 14.4778 -27.9813 14.4777 33.4367 GPRESSAVG: 2597200 29.7495 31.8326 -26.7093 34.3135 -66.7875 19.1611 -30.7284 12.6602 32.4637 TIMING: 2597200 CPU: 7747.39, 0.00294819/step Wall: 7747.39, 0.00294819/step, 1.96775 hours remaining, 207.785156 MB of memory in use. ENERGY: 2597200 751.6830 2088.3391 1935.5699 110.4071 -206667.2604 18013.1497 0.0000 0.0000 34203.8110 -149564.3007 298.7104 -183768.1117 -149471.7274 297.8065 25.5036 55.8274 556489.8140 -1.4418 -1.5248 PRESSURE: 2597400 259.63 -196.876 -70.767 -196.876 191.957 -70.7857 -70.7658 -70.7838 156.277 GPRESSURE: 2597400 241.944 -238.239 -89.8411 -265.12 257.352 -69.5829 -68.7834 -40.4171 203.378 PRESSAVG: 2597400 25.0549 -36.7082 -14.4612 -36.7082 -62.9145 12.464 -14.4612 12.464 27.2925 GPRESSAVG: 2597400 24.1421 -35.9521 -18.0475 -35.9811 -63.1473 9.02321 -11.9917 13.1923 28.2214 TIMING: 2597400 CPU: 7747.98, 0.00295109/step Wall: 7747.98, 0.00295109/step, 1.96953 hours remaining, 207.785156 MB of memory in use. ENERGY: 2597400 770.5780 2126.0833 1945.2525 117.9614 -206649.8908 18172.3500 0.0000 0.0000 34050.7731 -149466.8925 297.3739 -183517.6657 -149370.2461 297.7965 202.6214 234.2248 557363.6781 -3.5224 -3.5946 PRESSURE: 2597600 -261.395 118.066 -34.4284 118.067 -126.753 -143.664 -34.429 -143.665 -89.2739 GPRESSURE: 2597600 -247.732 122.366 -56.4191 87.1856 -68.2172 -129.288 -19.7269 -144.416 -63.2081 PRESSAVG: 2597600 5.28418 4.44887 -60.8231 4.44889 -16.305 19.4426 -60.8232 19.4427 -9.89309 GPRESSAVG: 2597600 6.26392 1.68679 -58.5658 5.0125 -16.2828 21.0223 -61.2302 19.614 -11.1604 TIMING: 2597600 CPU: 7748.57, 0.00293671/step Wall: 7748.57, 0.00293671/step, 1.95977 hours remaining, 207.785156 MB of memory in use. ENERGY: 2597600 743.6223 2085.6592 1926.5770 113.5071 -206229.4287 17610.4449 0.0000 0.0000 34311.1373 -149438.4809 299.6477 -183749.6182 -149345.5016 298.4749 -159.1404 -126.3858 557579.7767 -6.9713 -7.0598 PRESSURE: 2597800 -157.135 118.441 142.557 118.44 -43.6196 3.67027 142.559 3.67007 141.661 GPRESSURE: 2597800 -96.5498 128.085 232.185 115.338 23.1602 -87.1341 114.173 -17.1454 113.33 PRESSAVG: 2597800 21.8827 35.7712 11.4129 35.7713 24.4345 42.495 11.4128 42.4949 -32.5828 GPRESSAVG: 2597800 22.2487 38.1288 10.2219 32.8065 24.0577 41.023 13.0713 42.64 -32.5044 TIMING: 2597800 CPU: 7749.17, 0.00298166/step Wall: 7749.17, 0.00298166/step, 1.98959 hours remaining, 207.785156 MB of memory in use. ENERGY: 2597800 761.8925 2100.8215 1919.7426 99.2307 -206267.7738 17800.5208 0.0000 0.0000 34204.9353 -149380.6304 298.7202 -183585.5656 -149281.3851 299.0253 -19.6979 13.3134 556377.2930 4.5781 4.6007 PRESSURE: 2598000 -298.405 75.2172 -51.9921 75.2179 -10.0324 131.761 -51.9923 131.763 163.112 GPRESSURE: 2598000 -199.197 34.1202 -74.6465 106.648 -1.22748 208.203 -28.4271 26.1982 156.736 PRESSAVG: 2598000 -28.0515 3.23295 49.3743 3.23301 -40.4006 50.718 49.3742 50.718 20.4874 GPRESSAVG: 2598000 -28.6041 1.55394 49.261 5.28506 -39.1114 51.0479 49.3401 53.2133 20.018 TIMING: 2598000 CPU: 7749.76, 0.00296187/step Wall: 7749.76, 0.00296187/step, 1.97622 hours remaining, 207.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2598000 725.6798 2102.3275 1928.2542 111.7444 -206177.8632 17785.8304 0.0000 0.0000 34174.6075 -149349.4194 298.4553 -183524.0269 -149260.7751 298.4090 -48.4417 -14.5628 557426.5134 -15.9882 -15.8992 PRESSURE: 2598200 -251.563 43.8447 77.4318 43.8439 137.555 96.8132 77.4312 96.8123 -217.923 GPRESSURE: 2598200 -181.201 99.7785 107.056 10.1157 155.808 114.021 -19.7385 129.732 -218.487 PRESSAVG: 2598200 -19.2842 72.0956 11.476 72.0956 39.1269 42.5483 11.476 42.5483 35.151 GPRESSAVG: 2598200 -20.0262 73.3993 12.0117 72.7676 39.0077 41.8082 11.9021 41.5525 36.1165 TIMING: 2598200 CPU: 7750.35, 0.00296066/step Wall: 7750.35, 0.00296066/step, 1.97525 hours remaining, 207.839844 MB of memory in use. ENERGY: 2598200 731.7891 2067.4412 1925.9258 105.7336 -205954.8886 17549.2884 0.0000 0.0000 34254.9263 -149319.7843 299.1568 -183574.7106 -149216.4924 299.2779 -110.6437 -81.2934 557048.2765 18.3312 18.3660 PRESSURE: 2598400 -197.109 -22.1247 32.6771 -22.1258 -32.7139 -305.988 32.6751 -305.988 -131.983 GPRESSURE: 2598400 -178.241 -95.9638 101.767 -51.9155 77.0973 -291.34 -50.8814 -275.65 -161.738 PRESSAVG: 2598400 -19.7204 35.2194 -6.30822 35.2194 97.9171 47.6461 -6.30828 47.6461 -93.7672 GPRESSAVG: 2598400 -19.2347 36.4534 -5.06061 33.3468 97.3742 47.5255 -8.15346 46.6673 -93.6299 TIMING: 2598400 CPU: 7750.94, 0.00295702/step Wall: 7750.94, 0.00295702/step, 1.97266 hours remaining, 207.839844 MB of memory in use. ENERGY: 2598400 739.4439 2071.9228 1907.9471 108.2798 -206281.1730 17722.9288 0.0000 0.0000 34372.4504 -149358.2002 300.1832 -183730.6506 -149257.3002 299.0649 -120.6018 -87.6273 555710.4931 -5.1902 -5.1635 PRESSURE: 2598600 -295.871 0.384296 -132.217 0.38343 48.9951 87.8562 -132.217 87.8553 -67.6546 GPRESSURE: 2598600 -219.929 -82.0704 -172.317 139.784 67.7328 81.6623 -159.245 78.7712 -61.8338 PRESSAVG: 2598600 -49.3734 28.8104 -33.0727 28.8104 106.286 62.8704 -33.0727 62.8704 -29.025 GPRESSAVG: 2598600 -50.1033 25.3244 -33.194 30.6022 106.909 60.1178 -30.6127 63.8791 -28.9197 TIMING: 2598600 CPU: 7751.53, 0.00294472/step Wall: 7751.53, 0.00294472/step, 1.96429 hours remaining, 207.839844 MB of memory in use. ENERGY: 2598600 776.6902 2052.1357 1952.3951 114.6542 -206040.1553 17694.5988 0.0000 0.0000 34418.4178 -149031.2635 300.5846 -183449.6813 -148934.0815 299.5876 -104.8435 -71.3434 558819.0564 9.2959 9.2952 PRESSURE: 2598800 -35.1916 -62.0767 54.6732 -62.0752 56.3787 -35.3789 54.6731 -35.3808 -242.145 GPRESSURE: 2598800 -3.68074 -103.462 21.7719 2.52514 75.8417 5.91842 137.643 -22.4745 -194.645 PRESSAVG: 2598800 -76.8901 3.69519 -33.6667 3.69522 54.6576 -21.1363 -33.6668 -21.1363 -0.685062 GPRESSAVG: 2598800 -76.2504 4.98297 -34.2754 4.74665 55.1755 -17.8764 -35.4289 -23.0132 -1.79431 TIMING: 2598800 CPU: 7752.12, 0.00295554/step Wall: 7752.12, 0.00295554/step, 1.97135 hours remaining, 207.839844 MB of memory in use. ENERGY: 2598800 731.7378 2118.0748 1937.2016 112.1665 -205973.6691 17596.1932 0.0000 0.0000 34438.2314 -149040.0638 300.7576 -183478.2952 -148944.1673 299.7890 -73.6525 -40.8280 558649.0597 -7.6392 -7.6231 PRESSURE: 2599000 -106.017 -9.80086 27.7053 -9.80004 58.9386 -28.2685 27.704 -28.2705 -241.306 GPRESSURE: 2599000 -69.1867 57.5439 55.3647 -24.4312 59.4876 -21.4928 -12.6403 -26.2128 -174.63 PRESSAVG: 2599000 -0.161981 23.5981 -30.8877 23.598 86.0995 9.21759 -30.8877 9.21761 -94.2716 GPRESSAVG: 2599000 -0.364625 24.0361 -32.6096 24.3856 84.8608 7.65447 -30.5705 10.1723 -92.8901 TIMING: 2599000 CPU: 7752.71, 0.00294957/step Wall: 7752.71, 0.00294957/step, 1.9672 hours remaining, 207.839844 MB of memory in use. ENERGY: 2599000 737.2048 2035.6772 1922.2517 116.8437 -206005.4856 17849.8174 0.0000 0.0000 34153.8317 -149189.8590 298.2739 -183343.6908 -149089.8492 299.7590 -96.1279 -61.4430 558807.7892 -2.7780 -2.7980 PRESSURE: 2599200 -111.637 61.3297 -107.93 61.3291 -136.815 110.479 -107.928 110.479 -115.676 GPRESSURE: 2599200 -53.455 23.2417 -140.526 32.3304 -127.475 124.271 -44.399 51.1283 -89.8238 PRESSAVG: 2599200 3.98038 7.27309 -35.5324 7.27306 36.2237 -25.1858 -35.5324 -25.1859 -55.6216 GPRESSAVG: 2599200 3.39716 7.70649 -35.2707 5.61117 36.3184 -24.6072 -35.4976 -24.6708 -55.5957 TIMING: 2599200 CPU: 7753.31, 0.00296593/step Wall: 7753.31, 0.00296593/step, 1.97795 hours remaining, 207.839844 MB of memory in use. ENERGY: 2599200 711.3283 2054.2746 1945.4888 102.6981 -206005.3238 17458.0357 0.0000 0.0000 34394.8589 -149338.6393 300.3789 -183733.4982 -149240.6582 298.7010 -121.3763 -90.2514 558137.7065 -5.1392 -5.2934 PRESSURE: 2599400 115.234 -5.58058 11.0703 -5.58213 -325.673 -9.40442 11.0706 -9.40451 -237.831 GPRESSURE: 2599400 128.073 -32.9508 35.6712 15.7939 -312.897 24.8609 33.0032 -50.0642 -167.742 PRESSAVG: 2599400 13.7622 3.3146 -54.3947 3.3147 -13.6153 -28.4071 -54.3947 -28.4071 -14.3668 GPRESSAVG: 2599400 13.867 2.76048 -55.459 4.74094 -12.8759 -26.312 -54.049 -30.0796 -15.2709 TIMING: 2599400 CPU: 7753.9, 0.00295416/step Wall: 7753.9, 0.00295416/step, 1.96993 hours remaining, 207.839844 MB of memory in use. ENERGY: 2599400 716.8191 2097.0461 1955.5561 110.9263 -206115.9064 17637.8935 0.0000 0.0000 34219.9848 -149377.6804 298.8516 -183597.6652 -149276.4110 298.5241 -149.4235 -117.5219 557720.1452 -4.7400 -4.7599 PRESSURE: 2599600 17.7166 -4.94688 -61.6399 -4.94749 143.81 104.863 -61.6401 104.861 -140.655 GPRESSURE: 2599600 69.1019 6.56419 -77.293 -131.157 161.34 105.146 13.9645 88.6745 -105.271 PRESSAVG: 2599600 5.31182 -18.2356 -21.1039 -18.2357 -38.4769 23.4655 -21.1039 23.4653 50.9562 GPRESSAVG: 2599600 6.92088 -16.3919 -19.8371 -20.6246 -40.3862 21.5747 -21.6529 24.1081 52.0321 TIMING: 2599600 CPU: 7754.49, 0.00294634/step Wall: 7754.49, 0.00294634/step, 1.96455 hours remaining, 207.839844 MB of memory in use. ENERGY: 2599600 755.1723 2060.1048 1910.5079 111.0887 -206185.0669 17822.1482 0.0000 0.0000 34115.8241 -149410.2209 297.9420 -183526.0449 -149322.9923 298.3231 6.9572 41.7236 557380.5515 5.9304 6.1889 PRESSURE: 2599800 -57.2881 29.5399 -73.0637 29.5401 -198.894 -28.1205 -73.0619 -28.1216 -47.9593 GPRESSURE: 2599800 14.7834 -51.1075 -103.272 134.02 -184.069 -22.7217 16.5082 -59.8158 -36.8958 PRESSAVG: 2599800 61.7307 2.8268 -31.1922 2.82682 47.9129 -12.3858 -31.1922 -12.3858 -100.067 GPRESSAVG: 2599800 61.0971 1.88278 -29.4278 4.61654 49.1381 -11.3126 -32.8249 -13.5321 -100.164 TIMING: 2599800 CPU: 7755.08, 0.00294861/step Wall: 7755.08, 0.00294861/step, 1.9659 hours remaining, 207.839844 MB of memory in use. ENERGY: 2599800 726.5544 2122.2326 1922.8288 108.0100 -206043.2360 17676.0136 0.0000 0.0000 34051.9393 -149435.6573 297.3841 -183487.5967 -149343.2606 298.0643 -101.3804 -68.7270 558248.1711 3.1923 3.3569 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 2600000 WRITING COORDINATES TO RESTART FILE AT STEP 2600000 FINISHED WRITING RESTART COORDINATES PRESSURE: 2600000 -181.425 -9.7252 80.1596 -9.72493 -66.682 -5.90162 80.16 -5.90181 -163.354 GPRESSURE: 2600000 -111.954 -22.5683 -6.87276 -34.2776 -25.6608 -58.9664 194.753 -42.0173 -176.355 PRESSAVG: 2600000 -10.3096 -45.4563 -1.31152 -45.4564 14.8952 24.2396 -1.31153 24.2394 -28.2621 GPRESSAVG: 2600000 -12.3607 -45.5997 -2.05056 -45.2792 15.573 25.1525 -0.619178 25.166 -27.2486 TIMING: 2600000 CPU: 7755.68, 0.00299965/step Wall: 7755.68, 0.00299965/step, 1.99976 hours remaining, 207.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2600000 765.9748 2093.1177 1932.9438 118.1750 -206325.2057 17689.2758 0.0000 0.0000 34331.5244 -149394.1944 299.8257 -183725.7188 -149291.6335 298.7344 -137.1535 -104.6564 556570.4661 -7.8921 -8.0121 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2600000 WRITING VELOCITIES TO RESTART FILE AT STEP 2600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2600200 -170.722 -42.0937 -0.510851 -42.0949 -38.183 157.129 -0.510515 157.129 -154.174 GPRESSURE: 2600200 -162.446 -83.3899 -13.7789 -70.7667 27.2321 188.526 -62.1966 80.1783 -130.696 PRESSAVG: 2600200 -21.2384 -6.41138 -8.83386 -6.41127 28.057 27.352 -8.83394 27.352 -11.8745 GPRESSAVG: 2600200 -20.1058 -7.33167 -9.74646 -7.71917 27.9907 24.8278 -9.04795 28.8056 -13.0296 TIMING: 2600200 CPU: 7756.27, 0.00298893/step Wall: 7756.27, 0.00298893/step, 1.99246 hours remaining, 207.996094 MB of memory in use. ENERGY: 2600200 763.2143 2108.0945 1934.3482 113.3620 -206115.2922 17594.9255 0.0000 0.0000 34083.6221 -149517.7256 297.6607 -183601.3477 -149419.8091 298.5904 -121.0264 -88.6368 557346.7501 -1.6853 -1.7149 LDB: ============= START OF LOAD BALANCING ============== 7759.82 LDB: ============== END OF LOAD BALANCING =============== 7759.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7759.82 LDB: ============= START OF LOAD BALANCING ============== 7760.12 LDB: Largest compute 4773 load 0.028936 is 24.5% of average load 0.118286 LDB: Average compute 0.001745 is 1.5% of average load 0.118286 LDB: TIME 7760.12 LOAD: AVG 0.118286 MAX 0.200868 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.031 MB LDB: TIME 7760.12 LOAD: AVG 0.118286 MAX 0.200868 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.043 MB LDB: TIME 7760.12 LOAD: AVG 0.118286 MAX 0.200868 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.043 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7760.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7760.12 PRESSURE: 2600400 60.6232 -254.361 -91.3918 -254.36 207.078 211.966 -91.3911 211.966 7.66257 GPRESSURE: 2600400 92.762 -182.799 -90.1517 -309.389 218.155 186.68 -146.193 228.58 71.807 PRESSAVG: 2600400 22.8235 -42.2264 -1.85667 -42.2264 12.2065 42.9639 -1.8567 42.9641 -31.7153 GPRESSAVG: 2600400 23.9295 -41.9265 -1.79288 -40.9734 12.4657 43.3226 -0.744165 42.0955 -32.8607 TIMING: 2600400 CPU: 7756.87, 0.00300272/step Wall: 7756.87, 0.00300272/step, 2.00148 hours remaining, 206.519531 MB of memory in use. ENERGY: 2600400 737.1645 2092.7532 1931.0564 109.0163 -206159.9481 17764.7538 0.0000 0.0000 34161.7211 -149363.4829 298.3428 -183525.2039 -149271.5349 298.9934 91.7878 127.5748 556463.4085 1.1049 1.1782 PRESSURE: 2600600 67.8174 48.7204 -77.9558 48.7213 149.417 58.0311 -77.9557 58.0301 -161.207 GPRESSURE: 2600600 140.091 23.5544 -147.385 122.92 173.149 28.3134 45.5568 -2.94551 -163.209 PRESSAVG: 2600600 -22.034 -14.8108 -36.3144 -14.8109 54.0655 9.38076 -36.3144 9.38092 -65.5847 GPRESSAVG: 2600600 -23.8073 -13.9206 -36.4162 -15.8247 55.1814 6.58306 -37.8539 11.9945 -65.2619 TIMING: 2600600 CPU: 7757.47, 0.00295638/step Wall: 7757.47, 0.00295638/step, 1.97043 hours remaining, 206.722656 MB of memory in use. ENERGY: 2600600 760.2811 2125.1643 1930.6706 127.5487 -206371.5657 17840.7803 0.0000 0.0000 34198.2235 -149388.8971 298.6616 -183587.1206 -149297.9832 298.6467 18.6760 50.0105 556936.4591 -11.1844 -11.2959 PRESSURE: 2600800 80.0251 126.771 69.5277 126.771 -294.434 142.576 69.5261 142.576 -171.419 GPRESSURE: 2600800 86.0614 152.792 56.7122 137.681 -254.242 115.857 83.9461 169.991 -117.694 PRESSAVG: 2600800 15.9618 44.459 -24.726 44.4591 -8.64975 -28.4514 -24.726 -28.4515 23.0273 GPRESSAVG: 2600800 16.492 43.568 -26.1695 46.4029 -10.4413 -25.2546 -23.366 -32.2895 24.0484 TIMING: 2600800 CPU: 7758.06, 0.00297226/step Wall: 7758.06, 0.00297226/step, 1.98085 hours remaining, 206.722656 MB of memory in use. ENERGY: 2600800 750.4333 2060.5401 1946.1594 106.3050 -206331.9191 17782.1561 0.0000 0.0000 34293.5558 -149392.7694 299.4942 -183686.3253 -149301.0529 299.0482 -128.6090 -95.2913 557578.2757 10.1131 10.0331 PRESSURE: 2601000 -302.836 164.293 11.0427 164.292 -252.702 70.0038 11.0418 70.0034 -241.454 GPRESSURE: 2601000 -269.509 270.916 -26.1654 61.6519 -237.645 75.0382 37.7011 115.232 -190.496 PRESSAVG: 2601000 -30.4844 35.618 13.8463 35.6179 22.8902 30.8753 13.8464 30.8752 72.7095 GPRESSAVG: 2601000 -31.0886 35.701 13.8059 34.8026 23.3181 29.2249 13.0567 32.2106 72.4429 TIMING: 2601000 CPU: 7758.65, 0.00294925/step Wall: 7758.65, 0.00294925/step, 1.96534 hours remaining, 206.722656 MB of memory in use. ENERGY: 2601000 766.5964 2059.2842 1963.6779 113.9493 -206226.6002 17602.4873 0.0000 0.0000 34260.1315 -149460.4736 299.2022 -183720.6051 -149362.9521 299.3341 -265.6640 -232.5499 557678.6580 21.7051 21.5575 PRESSURE: 2601200 140.479 36.1281 4.3221 36.1285 -18.9197 -75.65 4.3228 -75.6516 -158.783 GPRESSURE: 2601200 193.844 -3.51964 -12.7524 61.0579 0.627247 -72.7844 -64.8025 -139.817 -124.54 PRESSAVG: 2601200 -50.0202 46.2362 42.6068 46.2362 -35.4745 3.35677 42.6068 3.35667 40.1903 GPRESSAVG: 2601200 -49.1216 45.5308 42.5404 45.272 -35.9485 4.29877 43.0871 4.17977 39.6927 TIMING: 2601200 CPU: 7759.24, 0.00295342/step Wall: 7759.24, 0.00295342/step, 1.96796 hours remaining, 206.722656 MB of memory in use. ENERGY: 2601200 754.1927 2075.7536 1936.5406 112.7216 -206328.2720 17842.6643 0.0000 0.0000 34129.9124 -149476.4868 298.0650 -183606.3992 -149382.8657 298.8520 -12.4079 23.3105 556965.1717 -15.1015 -15.1258 PRESSURE: 2601400 -334.275 -46.5912 0.674005 -46.5916 -129.55 -81.3882 0.674053 -81.3894 -63.7261 GPRESSURE: 2601400 -308.307 -14.9607 -34.1631 -55.4373 -104.557 -71.7307 -1.11698 -105.338 -13.0903 PRESSAVG: 2601400 -48.6822 -3.31814 20.6015 -3.31815 -31.5186 21.9492 20.6014 21.9493 62.939 GPRESSAVG: 2601400 -47.9279 -3.82902 21.5794 -3.53436 -31.4936 22.0135 19.9288 21.9478 62.0997 TIMING: 2601400 CPU: 7759.84, 0.00297338/step Wall: 7759.84, 0.00297338/step, 1.9811 hours remaining, 206.761719 MB of memory in use. ENERGY: 2601400 742.1428 2122.8704 1941.9180 105.0765 -205825.7138 17299.4960 0.0000 0.0000 34347.3852 -149266.8250 299.9643 -183614.2101 -149171.4610 299.4114 -175.8504 -141.9846 556057.1844 -5.7539 -5.7740 PRESSURE: 2601600 -112.824 -8.95916 -39.4163 -8.95992 27.4505 118.47 -39.4148 118.471 -59.8558 GPRESSURE: 2601600 -49.0098 30.7621 32.7353 -41.6638 85.9307 36.3891 -36.2433 168.844 -74.7556 PRESSAVG: 2601600 39.7289 19.9229 -8.56384 19.9228 12.9991 8.00382 -8.56386 8.00385 -16.7892 GPRESSAVG: 2601600 38.6064 21.6654 -8.90193 19.6175 12.578 8.37403 -7.7543 8.73011 -15.5544 TIMING: 2601600 CPU: 7760.43, 0.00297242/step Wall: 7760.43, 0.00297242/step, 1.98029 hours remaining, 206.761719 MB of memory in use. ENERGY: 2601600 743.5836 2069.1671 1935.8680 106.4974 -206131.6267 17811.3578 0.0000 0.0000 34147.1443 -149318.0086 298.2155 -183465.1529 -149217.9741 299.2274 -48.4098 -12.6116 557542.2810 11.9796 11.8767 PRESSURE: 2601800 -128.533 -3.36897 -163.856 -3.37014 108.775 7.83346 -163.857 7.83382 205.93 GPRESSURE: 2601800 -105.482 38.2821 -88.249 -18.9546 173.5 112.37 -183.654 -34.9287 205.436 PRESSAVG: 2601800 23.8885 4.94336 -79.4759 4.94339 -52.9666 -36.5224 -79.4759 -36.5224 24.8349 GPRESSAVG: 2601800 23.7058 3.31478 -80.4324 6.08153 -52.5792 -35.0072 -79.4489 -37.5903 24.2791 TIMING: 2601800 CPU: 7761.03, 0.00300277/step Wall: 7761.03, 0.00300277/step, 2.00035 hours remaining, 206.761719 MB of memory in use. ENERGY: 2601800 733.8077 2100.8435 1921.5129 117.7178 -206453.1409 17969.5852 0.0000 0.0000 34256.7279 -149352.9459 299.1725 -183609.6738 -149258.1320 299.7967 62.0576 91.1514 557972.4338 -1.4144 -1.5314 PRESSURE: 2602000 -60.6203 134.356 66.9857 134.355 -177.482 -34.9751 66.987 -34.976 125.58 GPRESSURE: 2602000 -57.6645 143.462 157.926 135.27 -99.3389 -81.1077 88.2085 2.81541 140.341 PRESSAVG: 2602000 4.67228 -33.3482 -46.5715 -33.3481 -5.29997 -27.0415 -46.5714 -27.0415 -12.3026 GPRESSAVG: 2602000 4.09207 -33.9179 -44.9916 -33.4124 -4.05816 -30.3411 -46.9571 -26.1363 -13.4013 TIMING: 2602000 CPU: 7761.62, 0.00296748/step Wall: 7761.62, 0.00296748/step, 1.97667 hours remaining, 206.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2602000 745.1152 2080.5394 1972.9552 110.4462 -206330.3908 17889.0759 0.0000 0.0000 34241.9121 -149290.3469 299.0431 -183532.2589 -149185.2098 298.5358 -37.5073 -5.5541 559114.7876 -4.3101 -4.4558 PRESSURE: 2602200 -149.803 13.3995 -66.2047 13.3992 -257.537 -17.6099 -66.2054 -17.6089 -193.3 GPRESSURE: 2602200 -94.6633 9.73153 -53.5604 1.70684 -241.933 -81.0906 -56.0885 -3.75751 -189.296 PRESSAVG: 2602200 -10.6316 1.30878 5.69209 1.30876 -28.8014 20.6638 5.69206 20.6638 37.4083 GPRESSAVG: 2602200 -10.9442 2.8816 4.84665 -0.139317 -30.6423 23.0402 5.69076 20.2202 39.4757 TIMING: 2602200 CPU: 7762.22, 0.00296397/step Wall: 7762.22, 0.00296397/step, 1.97417 hours remaining, 206.761719 MB of memory in use. ENERGY: 2602200 787.3799 2157.4726 1928.8057 109.1935 -205981.9821 17503.6165 0.0000 0.0000 34196.3444 -149299.1695 298.6452 -183495.5139 -149206.4439 298.9148 -200.2135 -175.2976 558215.9024 -0.6749 -0.7036 PRESSURE: 2602400 150.759 -177.423 -109.407 -177.423 -27.3253 61.8996 -109.406 61.8991 -52.4181 GPRESSURE: 2602400 173.558 -111.282 -130.102 -148.961 -16.7452 16.6575 -51.8505 101.055 4.08437 PRESSAVG: 2602400 -7.93015 -27.241 3.79655 -27.241 0.471989 -13.6509 3.79659 -13.6508 23.7763 GPRESSAVG: 2602400 -7.65433 -29.3158 4.33351 -27.3165 1.23783 -13.5795 5.55849 -14.8192 22.1426 TIMING: 2602400 CPU: 7762.81, 0.00295219/step Wall: 7762.81, 0.00295219/step, 1.96616 hours remaining, 206.761719 MB of memory in use. ENERGY: 2602400 761.5948 2083.4493 1952.9633 125.0459 -206459.5254 17880.5646 0.0000 0.0000 34181.0596 -149474.8480 298.5117 -183655.9076 -149383.7049 299.0074 23.6719 53.6323 555032.1364 5.4394 5.2420 PRESSURE: 2602600 202.071 54.7964 179.439 54.7964 105.17 -81.8477 179.437 -81.8481 127.067 GPRESSURE: 2602600 205.564 93.3074 262.257 6.93859 191.359 -25.0817 126.224 -70.7715 134.637 PRESSAVG: 2602600 30.9646 -24.1646 13.722 -24.1646 -12.045 -1.34053 13.722 -1.34056 11.4288 GPRESSAVG: 2602600 31.1086 -22.8733 13.6989 -23.6343 -11.8197 -0.111134 12.7792 -0.221115 10.9666 TIMING: 2602600 CPU: 7763.4, 0.0029598/step Wall: 7763.4, 0.0029598/step, 1.97106 hours remaining, 206.761719 MB of memory in use. ENERGY: 2602600 756.8185 2097.0055 1937.3911 116.1877 -206661.0620 18017.6349 0.0000 0.0000 34090.0455 -149645.9788 297.7168 -183736.0243 -149551.9106 298.4146 144.7694 177.1869 555480.1579 10.1161 10.0852 PRESSURE: 2602800 -83.4345 151.022 -107.312 151.023 65.2715 1.27213 -107.312 1.272 -236.72 GPRESSURE: 2602800 -68.5762 147.243 -110.406 103.088 76.2537 -31.4617 -139.985 97.0828 -168.407 PRESSAVG: 2602800 -24.4368 40.2116 -11.0782 40.2117 54.0431 -10.9655 -11.0781 -10.9655 40.1997 GPRESSAVG: 2602800 -23.3809 39.4037 -12.2469 41.8178 53.6347 -11.2156 -11.8343 -10.9788 39.8665 TIMING: 2602800 CPU: 7763.99, 0.00296075/step Wall: 7763.99, 0.00296075/step, 1.97153 hours remaining, 206.761719 MB of memory in use. ENERGY: 2602800 746.1994 2079.6047 1930.8314 111.6177 -206353.3096 17730.7546 0.0000 0.0000 34312.1353 -149442.1666 299.6564 -183754.3019 -149355.1251 298.8052 -84.9610 -53.5765 555958.4048 23.2687 23.3735 PRESSURE: 2603000 -62.4129 -2.33829 91.3059 -2.33743 -378.444 109.461 91.3061 109.46 -149.345 GPRESSURE: 2603000 -87.3122 -13.2276 195.613 -6.19342 -302.327 101.941 -23.3474 49.7429 -111.336 PRESSAVG: 2603000 42.7101 46.3993 53.0484 46.3993 0.712247 17.4471 53.0484 17.4472 -21.9232 GPRESSAVG: 2603000 42.3055 48.3244 54.1673 43.387 0.368591 17.2013 53.0051 15.0415 -21.216 TIMING: 2603000 CPU: 7764.59, 0.0029699/step Wall: 7764.59, 0.0029699/step, 1.97746 hours remaining, 206.761719 MB of memory in use. ENERGY: 2603000 752.7318 2087.3692 1926.2689 119.8824 -206216.3765 17534.1072 0.0000 0.0000 34304.2543 -149491.7627 299.5876 -183796.0170 -149401.7121 299.1104 -196.7340 -166.9915 557825.2251 7.1664 7.1527 PRESSURE: 2603200 127.509 -7.17111 -85.2152 -7.17062 -192.084 -84.1571 -85.2144 -84.1563 -194.035 GPRESSURE: 2603200 164.139 -36.9099 -67.486 102.818 -143.641 -31.3873 -73.2944 -94.9735 -183.464 PRESSAVG: 2603200 -30.8968 6.46656 15.1548 6.4665 11.0257 16.4364 15.1548 16.4365 -22.6942 GPRESSAVG: 2603200 -31.7475 4.53735 14.1151 10.6138 12.1086 15.7801 15.3597 16.2551 -22.614 TIMING: 2603200 CPU: 7765.18, 0.00295067/step Wall: 7765.18, 0.00295067/step, 1.96449 hours remaining, 206.761719 MB of memory in use. ENERGY: 2603200 726.9106 2146.9753 1945.2948 110.5009 -205932.0221 17409.4089 0.0000 0.0000 34243.8616 -149349.0701 299.0602 -183592.9317 -149253.3433 298.7359 -86.2031 -54.3218 556901.0552 -14.1885 -14.0843 PRESSURE: 2603400 206.01 59.3569 -90.219 59.3569 198.038 -10.908 -90.2176 -10.9067 38.5343 GPRESSURE: 2603400 292.64 136.27 -135.688 14.5901 150.575 -66.331 -3.14475 78.5076 90.708 PRESSAVG: 2603400 53.0654 37.0914 -11.7012 37.0914 -55.4786 -8.9684 -11.7012 -8.96833 27.6389 GPRESSAVG: 2603400 53.188 36.3705 -11.0931 34.8387 -55.4079 -8.59214 -13.4426 -8.49054 27.24 TIMING: 2603400 CPU: 7765.77, 0.00295135/step Wall: 7765.77, 0.00295135/step, 1.96478 hours remaining, 206.761719 MB of memory in use. ENERGY: 2603400 698.2229 2118.2115 1937.6429 114.9988 -206717.3841 18085.8510 0.0000 0.0000 34284.4487 -149478.0082 299.4146 -183762.4569 -149381.9360 298.5708 147.5273 177.9745 556428.2014 8.4086 8.3400 PRESSURE: 2603600 125.286 -54.4008 137.88 -54.4008 -60.4547 -83.4521 137.881 -83.4527 -238.722 GPRESSURE: 2603600 160.929 -106.515 127.637 46.0921 1.18372 -93.3523 66.7085 -47.3917 -234.959 PRESSAVG: 2603600 66.5163 -65.3088 12.2873 -65.3089 -31.4706 -14.0121 12.2874 -14.0122 -1.68055 GPRESSAVG: 2603600 67.3026 -63.1331 11.9588 -64.9875 -30.0307 -13.8326 14.2091 -13.484 -3.45152 TIMING: 2603600 CPU: 7766.36, 0.00295714/step Wall: 7766.36, 0.00295714/step, 1.96847 hours remaining, 206.761719 MB of memory in use. ENERGY: 2603600 733.3383 2132.4029 1936.7544 120.0649 -206313.0997 17747.5947 0.0000 0.0000 34078.6708 -149564.2738 297.6175 -183642.9446 -149456.3971 298.8171 -57.9636 -24.2819 557828.3344 11.1217 11.2734 PRESSURE: 2603800 -3.93405 -11.1415 1.19838 -11.1413 121.815 -54.0595 1.19808 -54.0597 -5.82551 GPRESSURE: 2603800 0.97579 -70.2298 -2.98953 51.5636 175.133 -52.0963 46.0516 -107.448 38.473 PRESSAVG: 2603800 -9.59482 -18.1488 6.43957 -18.1488 -12.6272 -16.2228 6.43971 -16.2228 12.3255 GPRESSAVG: 2603800 -10.0318 -17.9025 6.40842 -18.8641 -14.5996 -16.4868 7.34441 -16.3129 14.0752 TIMING: 2603800 CPU: 7766.95, 0.00295532/step Wall: 7766.95, 0.00295532/step, 1.96709 hours remaining, 206.761719 MB of memory in use. ENERGY: 2603800 741.2422 2046.7946 1930.2155 99.6797 -206398.2305 17890.9445 0.0000 0.0000 33949.9626 -149739.3914 296.4935 -183689.3540 -149645.1918 298.4902 37.3520 71.5273 556983.4755 -3.2988 -3.5187 PRESSURE: 2604000 98.0399 -103.734 -67.0008 -103.735 253.74 -152.92 -67.0005 -152.92 -2.45616 GPRESSURE: 2604000 112.56 -61.0487 -126.486 -119.106 279.513 -176.496 -148.673 -137.107 56.738 PRESSAVG: 2604000 -14.8855 26.1552 1.32889 26.1551 52.1327 4.62617 1.32893 4.62627 -0.784937 GPRESSAVG: 2604000 -14.3355 26.0831 1.02073 26.4486 51.8442 5.66631 -3.06367 5.9955 -1.49762 TIMING: 2604000 CPU: 7767.54, 0.00296376/step Wall: 7767.54, 0.00296376/step, 1.97255 hours remaining, 206.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2604000 740.4136 2063.8008 1923.3585 117.5034 -206710.5418 18075.8505 0.0000 0.0000 34068.0902 -149721.5248 297.5251 -183789.6150 -149616.3005 298.1779 116.4413 149.6037 556304.2028 12.1541 12.0037 PRESSURE: 2604200 -43.8267 51.9169 -48.2256 51.9163 -27.8355 30.2774 -48.2268 30.2755 298.175 GPRESSURE: 2604200 -14.6237 33.8125 -82.7831 123.699 9.17606 98.0288 -47.4555 -24.0077 323.171 PRESSAVG: 2604200 -79.9659 47.3873 -78.1851 47.3873 42.6993 -12.1335 -78.1851 -12.1334 57.8428 GPRESSAVG: 2604200 -81.2008 44.8976 -78.7742 49.5457 43.1612 -14.4136 -74.4129 -10.2929 57.9687 TIMING: 2604200 CPU: 7768.13, 0.00294591/step Wall: 7768.13, 0.0029459/step, 1.9605 hours remaining, 206.761719 MB of memory in use. ENERGY: 2604200 727.2191 2073.0753 1960.7398 102.9681 -206409.7645 17834.4286 0.0000 0.0000 34091.5977 -149619.7360 297.7304 -183711.3336 -149522.3470 297.9622 75.5043 105.9077 556918.6829 6.8588 6.6430 LDB: ============= START OF LOAD BALANCING ============== 7771.68 LDB: ============== END OF LOAD BALANCING =============== 7771.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7771.68 LDB: ============= START OF LOAD BALANCING ============== 7771.97 LDB: Largest compute 4773 load 0.028190 is 23.8% of average load 0.118281 LDB: Average compute 0.001741 is 1.5% of average load 0.118281 LDB: TIME 7771.98 LOAD: AVG 0.118281 MAX 0.20459 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.207 MB LDB: TIME 7771.98 LOAD: AVG 0.118281 MAX 0.20459 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.211 MB LDB: TIME 7771.98 LOAD: AVG 0.118281 MAX 0.20459 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.211 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7771.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7771.98 PRESSURE: 2604400 -180.306 -7.44285 74.1589 -7.4428 189.433 -102.946 74.1574 -102.947 0.73318 GPRESSURE: 2604400 -117.793 45.2489 48.4528 -61.0186 199.961 -86.6938 83.1062 -88.3439 27.105 PRESSAVG: 2604400 -31.3391 22.9798 -57.5095 22.9797 -19.6339 -16.2222 -57.5096 -16.2221 26.4535 GPRESSAVG: 2604400 -31.3363 22.9861 -56.7359 20.7988 -20.9242 -13.9111 -58.2294 -18.7441 27.3629 TIMING: 2604400 CPU: 7768.73, 0.00301629/step Wall: 7768.73, 0.00301629/step, 2.00718 hours remaining, 206.222656 MB of memory in use. ENERGY: 2604400 752.7957 2062.5644 1918.7546 105.4215 -206494.7242 17923.7143 0.0000 0.0000 34118.5965 -149612.8771 297.9662 -183731.4737 -149512.4651 298.4962 3.2867 36.4245 557160.3298 -8.1731 -8.2992 PRESSURE: 2604600 2.40171 6.6936 6.12754 6.69255 117.418 -44.7078 6.12783 -44.7073 -260.021 GPRESSURE: 2604600 -20.511 -47.5634 35.9968 18.2834 213.168 -30.0122 44.854 -31.4366 -223.737 PRESSAVG: 2604600 -6.29704 49.8244 -51.2409 49.8243 4.53514 -16.5476 -51.2409 -16.5476 16.3564 GPRESSAVG: 2604600 -6.39913 53.2338 -50.3541 49.9626 5.15304 -18.5312 -51.707 -16.865 16.8304 TIMING: 2604600 CPU: 7769.33, 0.00297544/step Wall: 7769.33, 0.00297544/step, 1.97983 hours remaining, 206.222656 MB of memory in use. ENERGY: 2604600 717.0476 2077.8130 1907.2738 110.6037 -206097.4766 17704.2940 0.0000 0.0000 33958.1095 -149622.3349 296.5646 -183580.4444 -149529.5704 298.5110 -46.7337 -10.3602 557325.8015 4.8648 5.1948 PRESSURE: 2604800 -292.607 123.493 -20.9134 123.494 -195.352 44.9217 -20.9136 44.9199 -34.986 GPRESSURE: 2604800 -275.654 68.9019 -3.29019 216.694 -132.629 51.9522 9.01685 49.32 -11.9274 PRESSAVG: 2604800 -21.2882 70.4299 17.798 70.43 -32.8827 -13.2894 17.798 -13.2895 40.1617 GPRESSAVG: 2604800 -21.1516 69.0593 17.3435 70.408 -32.2545 -15.8288 18.4068 -11.4116 39.3123 TIMING: 2604800 CPU: 7769.92, 0.00297331/step Wall: 7769.92, 0.00297331/step, 1.97824 hours remaining, 206.222656 MB of memory in use. ENERGY: 2604800 778.2753 2069.3659 1946.3578 112.9751 -205936.1857 17679.5104 0.0000 0.0000 33961.0511 -149388.6502 296.5903 -183349.7013 -149295.8531 298.2138 -174.3151 -140.0702 558266.6806 -4.6697 -4.6979 PRESSURE: 2605000 121.502 -259.589 21.595 -259.59 -16.6578 -59.3373 21.5945 -59.3367 -59.731 GPRESSURE: 2605000 190.123 -227.43 25.1407 -220.116 -23.9339 -5.23436 33.4844 -102.921 -39.674 PRESSAVG: 2605000 0.272194 22.9936 21.5209 22.9936 20.9303 -73.073 21.521 -73.0731 -35.4155 GPRESSAVG: 2605000 0.159185 21.7791 21.1058 24.3637 21.2922 -71.0129 22.214 -74.1969 -36.0578 TIMING: 2605000 CPU: 7770.51, 0.00294356/step Wall: 7770.51, 0.00294356/step, 1.95828 hours remaining, 206.222656 MB of memory in use. ENERGY: 2605000 769.4679 2059.7745 1942.2533 117.0815 -206809.6081 18145.5675 0.0000 0.0000 34292.4145 -149483.0489 299.4842 -183775.4634 -149385.0423 297.9879 15.0379 42.1717 557995.2341 -4.7377 -4.8688 PRESSURE: 2605200 87.2694 48.4125 -170.026 48.4117 -78.2563 -37.4462 -170.027 -37.4456 126.822 GPRESSURE: 2605200 184.384 -7.17653 -91.9432 32.2775 -60.2766 -45.6498 -185.942 -55.9476 106.89 PRESSAVG: 2605200 36.6578 6.06822 -29.9541 6.06822 -20.1567 -62.0235 -29.9541 -62.0235 -12.5483 GPRESSAVG: 2605200 36.5209 6.44177 -28.5565 5.81738 -20.6261 -60.9804 -30.1466 -62.376 -11.8543 TIMING: 2605200 CPU: 7771.1, 0.00295603/step Wall: 7771.1, 0.00295603/step, 1.96642 hours remaining, 206.222656 MB of memory in use. ENERGY: 2605200 739.1304 2098.9830 1914.0195 109.6465 -206859.1852 18253.7315 0.0000 0.0000 34278.2464 -149465.4280 299.3605 -183743.6744 -149365.3565 297.7867 45.2783 76.9992 558574.1536 1.3176 1.3469 PRESSURE: 2605400 -96.5922 31.2531 91.3158 31.2517 -136.421 91.3667 91.3162 91.3659 -164.775 GPRESSURE: 2605400 -64.8011 -9.05538 40.0743 38.7783 -124.156 62.8331 126.625 78.3171 -117.607 PRESSAVG: 2605400 39.414 29.2112 -27.4449 29.2113 -57.7751 8.98774 -27.4449 8.98777 4.87647 GPRESSAVG: 2605400 40.323 28.961 -27.0684 30.005 -58.8862 7.33595 -27.5362 9.03842 4.90869 TIMING: 2605400 CPU: 7771.69, 0.0029429/step Wall: 7771.69, 0.0029429/step, 1.95752 hours remaining, 206.222656 MB of memory in use. ENERGY: 2605400 761.0710 2079.4206 1945.2692 120.5243 -206385.6989 17791.0627 0.0000 0.0000 34382.8329 -149305.5182 300.2738 -183688.3511 -149203.8498 299.2877 -132.5962 -102.1882 557969.8650 -4.4949 -4.5515 PRESSURE: 2605600 60.0121 34.5232 214.643 34.5233 -33.0597 -41.1904 214.643 -41.1917 26.6694 GPRESSURE: 2605600 126.536 -41.4963 233.496 74.9747 -7.82073 21.9899 159.622 -20.0182 27.9638 PRESSAVG: 2605600 -55.8747 -0.15857 -6.96166 -0.158487 55.5301 -19.5267 -6.96169 -19.5265 8.41232 GPRESSAVG: 2605600 -56.0475 2.78505 -8.32511 -1.74305 55.4188 -18.5209 -7.24342 -19.8571 8.56148 TIMING: 2605600 CPU: 7772.28, 0.0029312/step Wall: 7772.28, 0.0029312/step, 1.94957 hours remaining, 206.222656 MB of memory in use. ENERGY: 2605600 726.1162 2099.1885 1951.8938 99.6081 -206742.7741 17728.1206 0.0000 0.0000 34856.6034 -149281.2436 304.4114 -184137.8470 -149186.1711 300.0909 17.8739 48.8930 556431.9511 2.6892 2.6443 PRESSURE: 2605800 -220.15 -70.7653 -75.5525 -70.7644 18.6977 39.56 -75.5524 39.5609 109.118 GPRESSURE: 2605800 -200.809 -67.1416 -127.889 -114.655 39.3605 61.3473 -69.4105 4.7204 164.054 PRESSAVG: 2605800 34.4533 -76.1193 -6.0287 -76.1193 6.72175 -33.9847 -6.02866 -33.9847 -59.9408 GPRESSAVG: 2605800 35.7441 -77.19 -5.90494 -76.3599 6.51224 -35.7541 -4.98524 -33.262 -61.3403 TIMING: 2605800 CPU: 7772.87, 0.00293979/step Wall: 7772.87, 0.00293979/step, 1.95512 hours remaining, 206.222656 MB of memory in use. ENERGY: 2605800 733.3020 2148.7106 1952.9556 115.8832 -206145.4132 17674.8624 0.0000 0.0000 34247.5472 -149272.1523 299.0923 -183519.6995 -149174.5009 300.0579 -30.7782 0.8687 557134.8030 -6.2552 -6.3613 PRESSURE: 2606000 147.007 -124.005 53.386 -124.004 154.834 20.4071 53.3859 20.4067 -56.9311 GPRESSURE: 2606000 191.763 -63.3184 35.7759 -175.305 189.975 -49.4954 3.00165 54.4178 -48.6004 PRESSAVG: 2606000 59.8534 23.338 -12.314 23.3381 6.31673 1.95645 -12.314 1.95638 -16.6257 GPRESSAVG: 2606000 59.1858 22.8812 -12.657 23.8732 6.22155 4.07114 -13.9729 0.860271 -15.3601 TIMING: 2606000 CPU: 7773.45, 0.00292884/step Wall: 7773.45, 0.00292884/step, 1.94768 hours remaining, 206.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2606000 757.7245 2138.9654 1940.7648 114.4052 -206470.0842 17911.0812 0.0000 0.0000 34353.8769 -149253.2661 300.0210 -183607.1431 -149155.3132 299.2133 81.6364 111.0459 555626.4348 16.5148 16.6824 PRESSURE: 2606200 -267.354 -20.9998 122.749 -21.0004 83.5905 -76.1581 122.749 -76.1584 3.02787 GPRESSURE: 2606200 -223.493 52.8532 68.2982 -19.6375 121.204 -48.6228 68.4483 -93.9103 14.2422 PRESSAVG: 2606200 -45.1616 38.2577 33.9176 38.2577 60.8098 11.7813 33.9178 11.7812 4.70008 GPRESSAVG: 2606200 -45.342 37.0467 35.348 37.8094 61.998 11.5685 32.924 12.9484 3.99088 TIMING: 2606200 CPU: 7774.04, 0.0029387/step Wall: 7774.04, 0.0029387/step, 1.95407 hours remaining, 206.222656 MB of memory in use. ENERGY: 2606200 820.8903 2089.0148 1942.7727 98.8256 -206101.8657 17799.2123 0.0000 0.0000 34130.9915 -149220.1586 298.0744 -183351.1500 -149115.2572 300.6246 -60.2451 -29.3490 555904.0176 6.7828 6.8823 PRESSURE: 2606400 216.259 -100.465 83.0263 -100.465 172.031 155.282 83.0268 155.282 120.023 GPRESSURE: 2606400 260.736 -156.468 19.4757 -36.5835 196.454 170.476 77.4616 124.894 144.525 PRESSAVG: 2606400 13.2399 -33.5607 15.8657 -33.5607 14.138 34.8129 15.8658 34.813 -7.38328 GPRESSAVG: 2606400 13.0609 -33.9201 13.1431 -33.674 13.0028 35.24 17.2737 34.2337 -5.97377 TIMING: 2606400 CPU: 7774.63, 0.00295976/step Wall: 7774.63, 0.00295976/step, 1.96791 hours remaining, 206.222656 MB of memory in use. ENERGY: 2606400 737.2823 2090.7110 1959.2883 121.9200 -206139.4008 17850.5354 0.0000 0.0000 34359.7904 -149019.8735 300.0726 -183379.6639 -148920.4872 300.3216 169.4379 200.5714 556421.4589 6.6649 6.6967 PRESSURE: 2606600 -184.342 -33.2063 90.1364 -33.2069 -7.55555 -74.3026 90.1362 -74.3016 362.464 GPRESSURE: 2606600 -137.389 -81.9604 121.919 -82.4775 29.4855 -83.932 79.2552 -18.1592 377.279 PRESSAVG: 2606600 33.3439 -45.2197 93.2435 -45.2198 18.2537 42.5562 93.2435 42.5561 -21.9822 GPRESSAVG: 2606600 32.3348 -43.5995 93.8676 -47.0215 19.3629 42.998 93.3268 43.2158 -21.8074 TIMING: 2606600 CPU: 7775.22, 0.00295912/step Wall: 7775.22, 0.00295912/step, 1.96732 hours remaining, 206.222656 MB of memory in use. ENERGY: 2606600 738.5355 2096.0143 1960.6405 116.6024 -206145.5256 17722.1246 0.0000 0.0000 34379.8334 -149131.7750 300.2476 -183511.6083 -149032.2079 300.1883 56.8557 89.7920 556009.9765 9.8718 9.9635 PRESSURE: 2606800 10.813 294.571 -94.538 294.57 65.0976 -8.88651 -94.5387 -8.88704 69.3856 GPRESSURE: 2606800 64.7242 222.686 -99.9636 271.047 93.0781 -26.8269 -122.612 36.616 80.408 PRESSAVG: 2606800 -35.6508 6.64438 -57.1823 6.6444 -10.6728 -18.9535 -57.1824 -18.9536 60.6846 GPRESSAVG: 2606800 -33.1493 6.0404 -56.5665 8.38212 -11.5666 -20.7186 -58.8748 -19.5587 58.7844 TIMING: 2606800 CPU: 7775.82, 0.00296515/step Wall: 7775.82, 0.00296515/step, 1.97117 hours remaining, 206.222656 MB of memory in use. ENERGY: 2606800 704.4372 2103.7814 1914.3088 124.7353 -206205.6412 17857.7369 0.0000 0.0000 34521.1225 -148979.5190 301.4815 -183500.6416 -148877.7940 300.0578 48.4321 79.4034 556873.3153 4.7870 4.6895 PRESSURE: 2607000 -57.5122 -167.765 140.781 -167.766 51.9552 87.76 140.782 87.7595 -93.5308 GPRESSURE: 2607000 -59.1473 -75.0908 83.8566 -166.722 85.6069 120.105 174.125 121.778 -43.0388 PRESSAVG: 2607000 -77.7283 -22.7924 -25.3653 -22.7924 20.2758 81.8968 -25.3652 81.8967 45.3094 GPRESSAVG: 2607000 -80.5784 -22.021 -26.0633 -24.1696 20.4295 80.3468 -24.0251 83.5204 47.9361 TIMING: 2607000 CPU: 7776.41, 0.00295395/step Wall: 7776.41, 0.00295395/step, 1.96355 hours remaining, 206.222656 MB of memory in use. ENERGY: 2607000 724.2180 2150.1526 1948.7243 115.6440 -205786.9779 17572.4803 0.0000 0.0000 34419.8328 -148855.9260 300.5970 -183275.7588 -148759.4158 299.7717 -33.0293 -5.5264 557499.6440 -4.0477 -4.0709 PRESSURE: 2607200 -69.3026 -37.2932 -6.25869 -37.2931 -87.279 7.69342 -6.25946 7.6921 -46.0378 GPRESSURE: 2607200 -71.2914 -7.5112 -24.8006 -7.18694 -29.1484 58.0907 84.9359 37.9128 0.31356 PRESSAVG: 2607200 -3.94843 -2.76391 -25.2473 -2.76388 -41.9834 -5.82057 -25.2474 -5.8206 40.9903 GPRESSAVG: 2607200 -2.79621 -3.77832 -23.7851 -1.8914 -42.3774 -5.36881 -23.7915 -5.22414 40.5684 TIMING: 2607200 CPU: 7777, 0.00297018/step Wall: 7777, 0.00297018/step, 1.97418 hours remaining, 206.222656 MB of memory in use. ENERGY: 2607200 731.9614 2078.4661 1938.7734 109.1593 -206042.3132 17868.8212 0.0000 0.0000 34426.3988 -148888.7331 300.6543 -183315.1319 -148788.9590 299.9189 -67.5398 -33.3754 556903.2486 -1.6472 -1.5351 PRESSURE: 2607400 -122.977 125.13 47.9089 125.129 -20.493 -87.833 47.9098 -87.8323 -120.915 GPRESSURE: 2607400 -29.1595 161.544 65.5145 64.5172 5.216 -91.1809 -79.1797 -69.5959 -117.765 PRESSAVG: 2607400 -23.2019 -19.072 41.9215 -19.072 -17.1744 -34.8844 41.9215 -34.8845 55.0068 GPRESSAVG: 2607400 -23.4216 -19.9856 42.0972 -18.162 -16.551 -33.6853 39.995 -37.9978 54.6292 TIMING: 2607400 CPU: 7777.59, 0.00293826/step Wall: 7777.59, 0.00293826/step, 1.9528 hours remaining, 206.222656 MB of memory in use. ENERGY: 2607400 728.8014 2036.4245 1935.8790 103.0183 -205728.6760 17579.5110 0.0000 0.0000 34205.8210 -149139.2209 298.7279 -183345.0419 -149047.9126 300.0405 -88.1283 -47.2362 560263.0321 4.8768 4.8855 PRESSURE: 2607600 -89.5445 32.4682 45.207 32.4681 -405.446 -63.2389 45.2081 -63.2381 -274.212 GPRESSURE: 2607600 -53.6052 10.3035 -11.5884 5.66717 -347.657 -16.9825 -11.525 -146.086 -252.528 PRESSAVG: 2607600 -68.7897 23.0293 35.0285 23.0293 35.4879 1.31256 35.0285 1.31251 5.80299 GPRESSAVG: 2607600 -67.524 23.5459 34.2564 22.5327 35.8844 -0.17827 36.9727 5.30822 4.69526 TIMING: 2607600 CPU: 7778.18, 0.00293624/step Wall: 7778.18, 0.00293624/step, 1.95129 hours remaining, 206.222656 MB of memory in use. ENERGY: 2607600 781.3183 2076.3599 1924.5135 100.1909 -205605.4113 17396.0711 0.0000 0.0000 34208.9930 -149117.9646 298.7556 -183326.9577 -149015.5109 298.6234 -256.4006 -217.9299 559627.1506 -9.1663 -8.9815 PRESSURE: 2607800 21.0358 46.4371 44.1582 46.437 -39.9717 -111.842 44.1588 -111.841 71.3066 GPRESSURE: 2607800 44.9929 41.3411 72.0091 59.3406 46.1298 -101.474 40.8595 -192.486 67.7732 PRESSAVG: 2607800 47.7368 -27.7432 20.9068 -27.7432 2.28254 -5.78556 20.9068 -5.78569 -37.0822 GPRESSAVG: 2607800 46.3701 -26.6819 20.4486 -28.1997 3.84537 -3.84918 19.1976 -8.67907 -36.7454 TIMING: 2607800 CPU: 7778.76, 0.00294278/step Wall: 7778.76, 0.00294278/step, 1.95548 hours remaining, 206.222656 MB of memory in use. ENERGY: 2607800 713.7575 2050.8401 1964.7573 120.9609 -205853.7521 17671.9852 0.0000 0.0000 34175.6349 -149155.8162 298.4643 -183331.4511 -149063.0880 299.5831 17.4569 52.9653 557623.5401 4.3124 4.4900 PRESSURE: 2608000 87.4005 -40.4559 -12.3809 -40.4561 -180.529 -221.233 -12.3808 -221.234 -166.512 GPRESSURE: 2608000 67.0454 -20.1637 -81.0329 -11.8415 -154.297 -242.277 1.24774 -248.774 -87.5554 PRESSAVG: 2608000 7.82396 12.0446 16.8262 12.0446 -17.6322 -77.9733 16.8262 -77.9733 6.12217 GPRESSAVG: 2608000 9.02643 10.2271 18.0611 12.2243 -19.4437 -78.4985 16.498 -78.9252 6.68162 TIMING: 2608000 CPU: 7779.35, 0.00294452/step Wall: 7779.35, 0.00294452/step, 1.95647 hours remaining, 206.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2608000 737.9414 2149.2622 1943.9986 110.0909 -206031.2385 17581.6766 0.0000 0.0000 34172.3370 -149335.9318 298.4355 -183508.2688 -149239.3582 299.0570 -86.5467 -58.2689 557187.0336 -1.2287 -1.2452 PRESSURE: 2608200 -81.819 14.2902 53.1188 14.2904 -367.719 29.3978 53.1193 29.3979 16.5636 GPRESSURE: 2608200 3.6223 13.6662 24.2268 -15.6257 -370.841 -55.4234 57.3813 34.2189 41.581 PRESSAVG: 2608200 53.8268 -18.5952 0.33017 -18.5953 -60.7564 -6.29341 0.330143 -6.29337 44.5585 GPRESSAVG: 2608200 54.4504 -16.0292 0.308818 -19.3285 -61.0393 -7.68795 0.135394 -3.93518 44.2763 TIMING: 2608200 CPU: 7779.94, 0.00293609/step Wall: 7779.94, 0.00293609/step, 1.95071 hours remaining, 206.222656 MB of memory in use. ENERGY: 2608200 761.6743 2155.3955 1931.7585 111.8329 -205994.5800 17568.9098 0.0000 0.0000 34315.0034 -149150.0057 299.6815 -183465.0091 -149051.1339 299.4465 -144.3249 -108.5459 556818.2088 12.5429 12.5625 LDB: ============= START OF LOAD BALANCING ============== 7783.48 LDB: ============== END OF LOAD BALANCING =============== 7783.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7783.49 LDB: ============= START OF LOAD BALANCING ============== 7783.78 LDB: Largest compute 4773 load 0.028457 is 24.1% of average load 0.118239 LDB: Average compute 0.001746 is 1.5% of average load 0.118239 LDB: TIME 7783.78 LOAD: AVG 0.118239 MAX 0.199928 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.758 MB LDB: TIME 7783.78 LOAD: AVG 0.118239 MAX 0.199928 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.758 MB LDB: TIME 7783.78 LOAD: AVG 0.118239 MAX 0.199928 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.758 MB LDB: ============== END OF LOAD BALANCING =============== 7783.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7783.79 PRESSURE: 2608400 74.6415 -270.323 -22.141 -270.324 -59.9926 -142.299 -22.1398 -142.298 119.377 GPRESSURE: 2608400 119.007 -379.015 -37.7174 -115.527 -30.7555 -97.4286 7.86643 -152.102 144.988 PRESSAVG: 2608400 47.0839 -50.6489 22.6792 -50.6489 36.1298 -53.6587 22.6792 -53.6588 -59.3868 GPRESSAVG: 2608400 44.9382 -51.3761 20.9829 -49.2909 37.1439 -53.2355 23.9346 -54.919 -58.5014 TIMING: 2608400 CPU: 7780.54, 0.00298692/step Wall: 7780.54, 0.00298692/step, 1.98431 hours remaining, 207.503906 MB of memory in use. ENERGY: 2608400 737.7980 2084.2887 1964.7230 109.9639 -205971.1697 17770.3603 0.0000 0.0000 34219.0788 -149084.9570 298.8437 -183304.0359 -148986.0751 299.6987 44.6753 77.7462 558177.4746 7.9423 7.8602 PRESSURE: 2608600 315.556 93.6044 -56.0605 93.6042 -45.6675 -231.187 -56.0605 -231.185 184.593 GPRESSURE: 2608600 350.239 29.2247 -10.5326 140.818 18.9808 -209.793 40.6317 -230.611 183.126 PRESSAVG: 2608600 20.3728 -38.1929 -7.70655 -38.1928 49.111 -64.7205 -7.70645 -64.7206 -7.87605 GPRESSAVG: 2608600 20.3931 -37.4452 -7.22482 -37.797 49.3201 -64.4782 -8.51162 -64.2021 -8.85627 TIMING: 2608600 CPU: 7781.13, 0.00294241/step Wall: 7781.13, 0.00294241/step, 1.95457 hours remaining, 207.703125 MB of memory in use. ENERGY: 2608600 749.2827 2090.2196 1957.1700 98.4118 -206403.1512 17934.4693 0.0000 0.0000 34433.4304 -149140.1674 300.7157 -183573.5978 -149047.5093 299.4531 151.4937 184.1150 556038.7108 20.5359 20.2856 PRESSURE: 2608800 -225.988 -95.0435 -161.131 -95.0442 -80.063 -26.1607 -161.132 -26.1605 58.581 GPRESSURE: 2608800 -246.32 -134.483 -162.38 -77.7711 -16.9208 -37.4142 -146.53 -114.059 123.569 PRESSAVG: 2608800 -21.7404 -23.5638 10.7309 -23.5639 -5.16494 8.59474 10.7309 8.59468 49.569 GPRESSAVG: 2608800 -20.8076 -24.3957 12.1532 -24.3343 -6.10253 11.0265 12.3446 6.75067 49.5958 TIMING: 2608800 CPU: 7781.72, 0.0029584/step Wall: 7781.72, 0.0029584/step, 1.96503 hours remaining, 207.703125 MB of memory in use. ENERGY: 2608800 760.5798 2129.2650 1932.2656 111.8248 -205832.7960 17746.4114 0.0000 0.0000 34171.0583 -148981.3911 298.4244 -183152.4494 -148889.1278 299.6427 -82.4902 -46.5573 558253.5071 7.5546 7.5619 PRESSURE: 2609000 38.4861 85.9874 -13.8473 85.9878 -57.0254 24.7524 -13.8474 24.7532 -44.9631 GPRESSURE: 2609000 109.589 117.394 -22.8994 164.739 -77.0259 17.5425 -13.9305 -10.2216 13.9687 PRESSAVG: 2609000 4.13946 2.75268 -30.0346 2.75271 10.654 -59.3696 -30.0346 -59.3698 4.63522 GPRESSAVG: 2609000 2.79023 3.55553 -30.3938 3.75505 10.9755 -60.1164 -31.3015 -58.1087 5.32542 TIMING: 2609000 CPU: 7782.31, 0.00296048/step Wall: 7782.31, 0.00296048/step, 1.96625 hours remaining, 207.703125 MB of memory in use. ENERGY: 2609000 745.5055 2119.3313 1928.4036 106.9089 -205811.9196 17551.5706 0.0000 0.0000 34165.5966 -149194.6030 298.3767 -183360.1997 -149096.3594 299.6024 -21.1675 15.5106 556927.5997 6.4762 6.3637 PRESSURE: 2609200 12.6721 -9.17971 -2.28662 -9.18064 -61.1375 48.9435 -2.28684 48.9424 -189.969 GPRESSURE: 2609200 15.2111 -129.401 -84.2719 56.6451 -23.7283 52.4838 38.3334 23.7602 -147.444 PRESSAVG: 2609200 36.3707 5.79188 3.0053 5.79185 -6.82872 -4.25437 3.00524 -4.25448 -32.8491 GPRESSAVG: 2609200 36.7338 4.69628 1.92468 5.53749 -7.14248 -6.15743 3.02767 -3.07763 -33.3733 TIMING: 2609200 CPU: 7782.9, 0.0029694/step Wall: 7782.9, 0.0029694/step, 1.97201 hours remaining, 207.703125 MB of memory in use. ENERGY: 2609200 712.2755 2079.6360 1932.0308 109.2166 -206089.6700 17665.4666 0.0000 0.0000 34208.2491 -149382.7954 298.7491 -183591.0445 -149288.6793 299.8035 -79.4782 -51.9869 557435.9530 -1.1024 -1.2607 PRESSURE: 2609400 -53.0549 -24.3925 -18.5218 -24.3925 14.0055 73.0461 -18.5217 73.0466 70.2052 GPRESSURE: 2609400 -0.410867 3.66408 -114.383 -18.3442 54.5745 30.7593 -8.08017 57.1343 77.5988 PRESSAVG: 2609400 -9.75254 32.8691 -7.1852 32.8691 -35.0111 -21.4427 -7.18533 -21.4427 6.27923 GPRESSAVG: 2609400 -10.2358 32.7937 -7.41478 33.6369 -33.5161 -20.5046 -5.73348 -21.7724 5.64448 TIMING: 2609400 CPU: 7783.5, 0.00295553/step Wall: 7783.5, 0.00295553/step, 1.96263 hours remaining, 207.703125 MB of memory in use. ENERGY: 2609400 774.8426 2086.0492 1914.7037 103.9294 -206246.8798 17880.2395 0.0000 0.0000 34109.8246 -149377.2907 297.8896 -183487.1154 -149281.3639 298.7689 10.3853 43.9208 557036.3017 -12.8281 -12.7025 PRESSURE: 2609600 120.388 26.2915 0.926033 26.2912 -190.179 159.113 0.927072 159.112 86.6388 GPRESSURE: 2609600 181.117 3.19028 -18.5737 15.6998 -140.587 119.901 43.703 182.467 74.2747 PRESSAVG: 2609600 45.0557 2.96415 -11.301 2.96415 -57.1464 -25.1056 -11.3011 -25.1056 19.2682 GPRESSAVG: 2609600 45.9229 2.91305 -10.2186 3.42984 -58.9244 -27.2565 -11.4578 -25.2244 20.1325 TIMING: 2609600 CPU: 7784.09, 0.00296345/step Wall: 7784.09, 0.00296345/step, 1.96773 hours remaining, 207.703125 MB of memory in use. ENERGY: 2609600 729.3928 2098.1106 1920.4133 106.0200 -206298.0826 17772.6167 0.0000 0.0000 34376.0860 -149295.4434 300.2149 -183671.5294 -149200.2367 299.2766 5.6160 38.2682 556489.2137 2.3925 2.3770 PRESSURE: 2609800 195.505 -116.466 -29.6871 -116.465 -18.5595 -81.322 -29.6872 -81.321 -126.818 GPRESSURE: 2609800 226.436 -188.006 -58.6275 -30.7839 34.6262 -11.6137 48.2032 -152.421 -124.238 PRESSAVG: 2609800 -40.2701 7.25632 9.95102 7.25626 73.7234 -13.1222 9.95103 -13.1222 -24.8185 GPRESSAVG: 2609800 -39.8779 6.50108 9.39055 7.976 73.3588 -12.6836 8.26077 -15.0464 -24.8964 TIMING: 2609800 CPU: 7784.68, 0.00296927/step Wall: 7784.68, 0.00296927/step, 1.97143 hours remaining, 207.703125 MB of memory in use. ENERGY: 2609800 739.3875 2134.2142 1943.6145 105.7569 -206211.4217 17694.8535 0.0000 0.0000 34291.7336 -149301.8616 299.4782 -183593.5952 -149207.0342 299.3411 16.7092 45.6078 554739.4887 2.8783 2.8615 PRESSURE: 2610000 -182.301 90.3665 114.692 90.3655 -103.052 60.3804 114.691 60.38 -248.962 GPRESSURE: 2610000 -207.916 36.8733 107.236 81.045 -25.9963 22.6829 101.331 102.347 -203.234 PRESSAVG: 2610000 45.1717 -19.662 -7.28004 -19.662 29.1593 -8.67144 -7.28004 -8.67144 -67.8148 GPRESSAVG: 2610000 42.7796 -18.0732 -6.40016 -20.0289 31.4722 -7.88088 -6.49318 -7.08818 -67.4046 TIMING: 2610000 CPU: 7785.27, 0.00293809/step Wall: 7785.27, 0.00293809/step, 1.95057 hours remaining, 207.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2610000 767.2809 2089.3798 1936.8822 118.5809 -205795.2573 17428.7242 0.0000 0.0000 34203.0335 -149251.3759 298.7036 -183454.4094 -149161.3193 299.3427 -178.1049 -145.7157 556463.1972 2.1721 2.2824 PRESSURE: 2610200 74.2619 100.919 251.137 100.919 -114.702 31.8351 251.136 31.8347 75.8026 GPRESSURE: 2610200 112.863 153.465 226.606 93.7007 -75.1835 58.7972 254.401 46.3225 101.376 PRESSAVG: 2610200 31.4659 43.367 42.9466 43.367 2.66028 0.0685608 42.9466 0.0685502 -30.6248 GPRESSAVG: 2610200 33.5428 41.7112 41.2346 46.4292 0.95474 0.654753 43.4988 -0.675583 -30.8835 TIMING: 2610200 CPU: 7785.86, 0.00296716/step Wall: 7785.86, 0.00296716/step, 1.9697 hours remaining, 207.703125 MB of memory in use. ENERGY: 2610200 737.7890 2056.9814 1960.5991 119.0371 -206336.0144 17914.0917 0.0000 0.0000 34326.6287 -149220.8873 299.7830 -183547.5161 -149125.4796 298.9230 11.7874 46.3519 555572.8131 1.1671 1.2047 PRESSURE: 2610400 405.203 1.85205 172.767 1.85122 147.219 181.159 172.767 181.16 73.8559 GPRESSURE: 2610400 424.608 16.6612 97.0879 -8.762 179.543 205.832 108.831 148.805 120.578 PRESSAVG: 2610400 54.7298 17.6651 28.3486 17.6652 -6.89025 8.96077 28.3486 8.96082 -35.9628 GPRESSAVG: 2610400 53.7638 19.0415 28.2644 14.8234 -6.80815 9.97519 28.7411 7.97708 -35.0956 TIMING: 2610400 CPU: 7786.45, 0.00296028/step Wall: 7786.45, 0.00296028/step, 1.96497 hours remaining, 207.703125 MB of memory in use. ENERGY: 2610400 750.6005 2117.2898 1930.8016 111.9200 -206423.2745 17982.5241 0.0000 0.0000 34378.0730 -149152.0656 300.2323 -183530.1386 -149053.5451 299.6861 208.7591 241.5763 556397.9858 3.9589 3.9533 PRESSURE: 2610600 -53.3356 71.8552 34.6667 71.8551 17.6737 3.61008 34.6667 3.61195 58.5604 GPRESSURE: 2610600 -47.4022 127.813 44.8283 -9.10482 78.2436 14.5853 -57.7801 -41.4348 69.5156 PRESSAVG: 2610600 -29.8797 -45.9216 4.83254 -45.9215 61.4443 67.2988 4.83252 67.2988 -18.9982 GPRESSAVG: 2610600 -29.6393 -43.4972 5.10304 -47.6622 62.2865 64.4543 4.16886 70.6869 -20.6773 TIMING: 2610600 CPU: 7787.04, 0.00294407/step Wall: 7787.04, 0.00294407/step, 1.95404 hours remaining, 207.703125 MB of memory in use. ENERGY: 2610600 760.7536 2081.3644 1937.8547 117.8973 -206261.5232 17823.1046 0.0000 0.0000 34406.7943 -149133.7543 300.4831 -183540.5486 -149034.8930 299.5409 7.6328 33.4523 557661.1421 4.1888 3.9900 PRESSURE: 2610800 148.214 1.59428 24.7946 1.59562 143.063 56.484 24.7957 56.4833 73.6953 GPRESSURE: 2610800 151.675 56.2623 24.676 -189.24 179.337 -7.00304 -6.48363 117.036 129.584 PRESSAVG: 2610800 -52.1981 -23.7079 -15.7295 -23.7079 -27.3394 -5.9397 -15.7294 -5.93967 23.0933 GPRESSAVG: 2610800 -52.0885 -23.3415 -16.5399 -24.8303 -28.4508 -5.91897 -15.593 -5.89787 24.3326 TIMING: 2610800 CPU: 7787.63, 0.00294015/step Wall: 7787.63, 0.00294015/step, 1.95128 hours remaining, 207.703125 MB of memory in use. ENERGY: 2610800 745.9892 2126.6499 1935.5660 115.4468 -206552.0273 18027.2220 0.0000 0.0000 34252.0995 -149349.0539 299.1321 -183601.1534 -149248.2704 299.6053 121.6574 153.5319 557387.7091 -18.8147 -18.7355 PRESSURE: 2611000 8.77833 106.897 11.2097 106.898 25.1441 90.9964 11.2085 90.997 83.6295 GPRESSURE: 2611000 95.5342 147.339 39.0241 54.7077 86.634 42.2111 54.261 189.772 39.0539 PRESSAVG: 2611000 22.7775 17.9915 20.5141 17.9915 6.38269 19.3558 20.514 19.3558 -54.3186 GPRESSAVG: 2611000 22.8734 14.846 20.7583 20.6656 6.02333 21.1919 21.3718 18.6173 -54.0764 TIMING: 2611000 CPU: 7788.22, 0.00294139/step Wall: 7788.22, 0.00294139/step, 1.95194 hours remaining, 207.703125 MB of memory in use. ENERGY: 2611000 801.7076 2106.0167 1911.7921 119.8649 -206556.1570 18234.8743 0.0000 0.0000 34031.3209 -149350.5804 297.2040 -183381.9014 -149261.1177 298.7958 39.1840 73.7407 559110.2646 -8.3861 -8.3932 PRESSURE: 2611200 -243.71 0.350896 242.116 0.349017 170.208 -111.714 242.117 -111.715 -158.081 GPRESSURE: 2611200 -197.172 -19.4124 322.79 -6.16946 234.991 -59.4556 268.314 -117.5 -171.858 PRESSAVG: 2611200 6.52471 -36.9919 19.1825 -36.992 6.39014 -33.063 19.1826 -33.063 -41.5878 GPRESSAVG: 2611200 6.12724 -36.9636 20.3215 -37.4338 8.04697 -33.0044 18.2358 -34.2184 -42.8958 TIMING: 2611200 CPU: 7788.81, 0.00294592/step Wall: 7788.81, 0.00294592/step, 1.95478 hours remaining, 207.703125 MB of memory in use. ENERGY: 2611200 764.7257 2065.9989 1906.9158 103.1411 -206276.0121 17702.9990 0.0000 0.0000 34365.5108 -149366.7208 300.1226 -183732.2316 -149270.8121 299.0655 -77.1943 -44.6796 557191.5915 -9.5576 -9.5739 PRESSURE: 2611400 88.4829 -116.73 40.4209 -116.729 32.1242 58.95 40.4216 58.9491 -84.664 GPRESSURE: 2611400 151.203 -61.4625 -20.5022 -113.415 81.2537 13.6549 60.468 53.5346 -98.9866 PRESSAVG: 2611400 -61.6865 -101.549 -6.33234 -101.549 48.3832 -3.19892 -6.33238 -3.19898 6.91338 GPRESSAVG: 2611400 -61.7058 -100.574 -8.65044 -101.902 47.2518 -3.50297 -4.84919 -0.644713 7.09614 TIMING: 2611400 CPU: 7789.4, 0.00294484/step Wall: 7789.4, 0.00294484/step, 1.9539 hours remaining, 207.703125 MB of memory in use. ENERGY: 2611400 693.2154 2095.4852 1956.0955 110.4418 -205919.4342 17664.7095 0.0000 0.0000 34144.5002 -149254.9865 298.1924 -183399.4867 -149157.4586 299.4043 11.9811 44.4899 556565.7148 -2.1300 -2.4526 PRESSURE: 2611600 -239.083 45.9127 -222.552 45.9124 121.089 33.5336 -222.552 33.5344 103.922 GPRESSURE: 2611600 -173.945 -36.0453 -213.47 178.691 122.168 22.6844 -198.016 54.0477 134.37 PRESSAVG: 2611600 48.2107 8.09913 -4.54645 8.09909 -9.32185 71.8447 -4.54636 71.8447 -0.61867 GPRESSAVG: 2611600 48.4668 6.68879 -2.32784 10.8231 -9.59125 71.5355 -6.08912 70.6117 -0.570677 TIMING: 2611600 CPU: 7789.99, 0.00295798/step Wall: 7789.99, 0.00295798/step, 1.96246 hours remaining, 207.703125 MB of memory in use. ENERGY: 2611600 729.8291 2036.6306 1920.9594 107.6510 -205775.8547 17600.0413 0.0000 0.0000 34218.9061 -149161.8372 298.8422 -183380.7434 -149053.2907 299.1861 -4.6906 27.5309 557144.9829 12.7567 12.7683 PRESSURE: 2611800 -193.447 17.2318 -85.92 17.2332 -225.465 1.90259 -85.9195 1.90316 -217.151 GPRESSURE: 2611800 -179.517 -36.1754 -131.459 -12.291 -95.7746 -41.0374 -59.2255 127.402 -258.852 PRESSAVG: 2611800 -51.4848 27.3077 -55.4989 27.3077 30.2011 83.3525 -55.4988 83.3525 -1.52552 GPRESSAVG: 2611800 -51.8204 27.468 -57.1478 27.5416 31.4708 85.1411 -55.3906 83.1022 -2.3555 TIMING: 2611800 CPU: 7790.57, 0.00292107/step Wall: 7790.57, 0.00292107/step, 1.9378 hours remaining, 207.703125 MB of memory in use. ENERGY: 2611800 757.5828 2110.4726 1947.5507 121.0322 -205737.2175 17350.1839 0.0000 0.0000 34376.3860 -149074.0092 300.2175 -183450.3952 -148977.6540 299.3091 -212.0212 -178.0477 557033.2197 -7.6031 -7.5684 PRESSURE: 2612000 218.538 160.751 -42.531 160.751 5.08808 91.9315 -42.5304 91.9307 -60.1801 GPRESSURE: 2612000 212.529 197.488 -38.9745 14.7718 34.9812 91.4259 -58.2934 3.33226 12.5767 PRESSAVG: 2612000 27.7288 -0.522796 30.8923 -0.522805 -7.22867 16.4571 30.8923 16.4572 -50.7405 GPRESSAVG: 2612000 27.9864 1.62448 30.5764 -3.20544 -8.54148 14.2528 30.639 16.7934 -49.3341 TIMING: 2612000 CPU: 7791.16, 0.00293772/step Wall: 7791.16, 0.00293772/step, 1.94869 hours remaining, 207.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2612000 758.3056 2049.2428 1921.1081 107.9724 -206119.3997 17861.7959 0.0000 0.0000 34374.3459 -149046.6291 300.1997 -183420.9750 -148944.8084 299.2145 54.4818 86.6956 557156.4741 -10.0801 -9.9630 PRESSURE: 2612200 -223.278 -10.8003 -15.6679 -10.8002 129.471 31.0081 -15.6683 31.0085 -330.346 GPRESSURE: 2612200 -158.876 -49.9069 -32.3349 -5.22674 132.229 24.9589 66.497 75.0111 -300.544 PRESSAVG: 2612200 31.3601 13.4244 -15.4659 13.4245 39.3549 15.3273 -15.466 15.3272 -27.7135 GPRESSAVG: 2612200 31.846 12.5036 -15.0361 15.9703 39.4036 16.7275 -14.6295 14.8164 -28.1311 TIMING: 2612200 CPU: 7791.75, 0.00293717/step Wall: 7791.75, 0.00293717/step, 1.94816 hours remaining, 207.703125 MB of memory in use. ENERGY: 2612200 753.8694 2084.3351 1969.5797 116.4709 -206103.9149 17651.2866 0.0000 0.0000 34312.9442 -149215.4289 299.6635 -183528.3731 -149121.7102 298.9386 -141.3843 -109.0637 556951.9193 14.3338 14.3728 LDB: ============= START OF LOAD BALANCING ============== 7795.3 LDB: ============== END OF LOAD BALANCING =============== 7795.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7795.3 LDB: ============= START OF LOAD BALANCING ============== 7795.59 LDB: Largest compute 4773 load 0.028289 is 23.9% of average load 0.118244 LDB: Average compute 0.001735 is 1.5% of average load 0.118244 LDB: TIME 7795.6 LOAD: AVG 0.118244 MAX 0.202796 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 7795.6 LOAD: AVG 0.118244 MAX 0.202796 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 7795.6 LOAD: AVG 0.118244 MAX 0.202796 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: ============== END OF LOAD BALANCING =============== 7795.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7795.6 PRESSURE: 2612400 -19.7612 -178.181 -2.44134 -178.182 15.0071 209.624 -2.44122 209.624 -368.599 GPRESSURE: 2612400 13.6418 -85.2995 22.9643 -200.304 47.1583 207.387 -90.1252 209.75 -341.56 PRESSAVG: 2612400 -27.9798 29.9082 -49.3498 29.9082 136.798 30.0269 -49.3498 30.0269 -75.346 GPRESSAVG: 2612400 -29.3013 29.4535 -50.2353 29.2442 137.751 30.5637 -49.5906 28.9838 -75.2976 TIMING: 2612400 CPU: 7792.35, 0.00301764/step Wall: 7792.35, 0.00301765/step, 2.00137 hours remaining, 206.734375 MB of memory in use. ENERGY: 2612400 736.6428 2029.9549 1948.6382 110.1165 -205838.4486 17517.9717 0.0000 0.0000 34232.5181 -149262.6063 298.9611 -183495.1245 -149162.7905 298.5616 -124.4509 -93.5867 556390.8432 11.1575 11.0506 PRESSURE: 2612600 -129.054 -50.7906 83.1444 -50.7906 -36.6029 30.6848 83.1452 30.6838 -233.229 GPRESSURE: 2612600 -135.215 -81.7236 140.198 -34.7531 25.7171 42.3215 119.9 -22.0819 -196.917 PRESSAVG: 2612600 -61.6346 -33.1695 -43.3297 -33.1696 58.9066 20.4577 -43.3297 20.4578 -39.8701 GPRESSAVG: 2612600 -60.0116 -33.187 -42.1462 -34.3377 58.0966 20.9625 -42.6228 19.9982 -40.2603 TIMING: 2612600 CPU: 7792.94, 0.00293959/step Wall: 7792.94, 0.00293959/step, 1.94944 hours remaining, 206.734375 MB of memory in use. ENERGY: 2612600 739.6557 2115.8923 1932.3272 123.5704 -206011.0133 17573.0817 0.0000 0.0000 34377.0163 -149149.4696 300.2230 -183526.4859 -149049.4158 298.8225 -132.9619 -102.1382 556702.1200 -14.1994 -14.0584 PRESSURE: 2612800 50.8834 40.1159 17.4955 40.1158 -73.5207 -52.1494 17.4946 -52.1482 -289.763 GPRESSURE: 2612800 126.008 79.1553 110.735 -5.70493 -33.9603 -34.1357 -19.4316 -135.445 -313.056 PRESSAVG: 2612800 -8.73076 49.8229 -18.8712 49.8228 57.8474 -6.00487 -18.8712 -6.00477 -31.7479 GPRESSAVG: 2612800 -9.25815 49.2204 -18.674 50.633 58.4053 -7.77966 -19.6462 -4.53634 -30.9918 TIMING: 2612800 CPU: 7793.53, 0.00294211/step Wall: 7793.53, 0.00294211/step, 1.95094 hours remaining, 206.734375 MB of memory in use. ENERGY: 2612800 752.2240 2083.3533 1939.9943 112.3437 -206043.0204 17716.6903 0.0000 0.0000 34256.4739 -149181.9409 299.1703 -183438.4148 -149085.4069 299.5413 -104.1333 -73.6693 558176.9749 5.7896 6.0518 PRESSURE: 2613000 67.775 2.98417 6.47023 2.98274 101.299 39.2198 6.46924 39.2195 -27.0866 GPRESSURE: 2613000 80.7319 39.3846 45.6765 -62.0933 129.536 42.9644 21.803 71.1675 16.4387 PRESSAVG: 2613000 -49.6826 -39.0827 -15.8013 -39.0827 100.829 42.5547 -15.8014 42.5548 -31.3278 GPRESSAVG: 2613000 -50.4494 -38.0141 -15.8335 -37.7244 101.518 44.2071 -15.593 42.7495 -31.6221 TIMING: 2613000 CPU: 7794.13, 0.00298286/step Wall: 7794.13, 0.00298286/step, 1.9778 hours remaining, 206.734375 MB of memory in use. ENERGY: 2613000 746.9475 2064.6031 1954.6152 111.2853 -206357.3190 17980.1000 0.0000 0.0000 34380.3840 -149119.3839 300.2524 -183499.7680 -149016.4818 299.5900 47.3292 75.5690 557917.6928 6.6064 6.4822 PRESSURE: 2613200 -86.2481 -20.501 51.7118 -20.501 -501.38 62.8266 51.7122 62.8255 -11.254 GPRESSURE: 2613200 -58.101 -95.3855 59.2615 1.54089 -465.469 74.9495 46.1964 124.149 40.6234 PRESSAVG: 2613200 38.3918 -20.8881 70.3312 -20.8881 -56.7675 28.8799 70.3312 28.88 20.93 GPRESSAVG: 2613200 39.5666 -21.3714 70.5421 -21.997 -57.4138 29.2963 71.9673 27.4193 21.3001 TIMING: 2613200 CPU: 7794.72, 0.00297896/step Wall: 7794.72, 0.00297896/step, 1.97505 hours remaining, 206.734375 MB of memory in use. ENERGY: 2613200 723.5838 2126.6922 1919.1196 120.0271 -205894.2265 17544.2912 0.0000 0.0000 34441.7327 -149018.7799 300.7882 -183460.5126 -148918.1163 299.9233 -199.6275 -160.9822 559437.8965 0.8514 1.1510 PRESSURE: 2613400 73.7778 -55.1647 -94.017 -55.1644 -102.651 86.464 -94.016 86.4639 -233.555 GPRESSURE: 2613400 68.7982 -18.9634 -73.0448 -47.9311 -37.0727 88.862 2.6059 109.632 -198.36 PRESSAVG: 2613400 28.1837 -51.2723 8.86793 -51.2722 -3.0861 -4.87353 8.86791 -4.87353 -30.4684 GPRESSAVG: 2613400 27.8465 -50.7716 9.20471 -50.35 -3.42783 -5.33697 7.64122 -5.26828 -30.643 TIMING: 2613400 CPU: 7795.32, 0.00298466/step Wall: 7795.32, 0.00298466/step, 1.97866 hours remaining, 206.734375 MB of memory in use. ENERGY: 2613400 770.1287 2130.8522 1940.7349 121.7532 -206091.6815 17836.6688 0.0000 0.0000 34241.5974 -149049.9463 299.0404 -183291.5437 -148960.0170 299.9847 -87.4761 -55.5448 557999.7722 -1.7903 -2.0748 PRESSURE: 2613600 14.8859 -138.461 -106.8 -138.46 -113.544 -3.04037 -106.801 -3.04059 100.909 GPRESSURE: 2613600 35.5905 -169.061 -92.1544 -87.4218 -11.5955 85.298 -137.013 -107.324 82.7274 PRESSAVG: 2613600 -12.1428 30.7296 26.6055 30.7295 -10.0417 0.711109 26.6057 0.711102 -0.271486 GPRESSAVG: 2613600 -12.195 31.2992 26.3643 28.4458 -9.68596 1.39461 27.4009 -0.243097 -0.534251 TIMING: 2613600 CPU: 7795.91, 0.00296625/step Wall: 7795.91, 0.00296625/step, 1.96629 hours remaining, 206.734375 MB of memory in use. ENERGY: 2613600 747.1023 2161.6489 1931.8806 109.4550 -206457.2385 18066.3770 0.0000 0.0000 34304.9775 -149135.7973 299.5939 -183440.7748 -149041.7499 299.9828 0.7503 35.5741 558325.1397 -7.4854 -7.4717 PRESSURE: 2613800 -124.326 -165.167 42.8544 -165.166 -135.858 182.593 42.8552 182.593 -143.148 GPRESSURE: 2613800 -81.5335 -150.007 -36.3995 -186.691 -96.3397 82.3155 113.763 223.516 -124.5 PRESSAVG: 2613800 40.3934 -38.7995 -0.767424 -38.7995 25.6949 11.3906 -0.767406 11.3907 -68.3478 GPRESSAVG: 2613800 39.9656 -39.6432 0.217858 -39.4653 26.7841 10.4468 -2.98123 12.3088 -68.7799 TIMING: 2613800 CPU: 7796.5, 0.00294385/step Wall: 7796.5, 0.00294385/step, 1.95128 hours remaining, 206.734375 MB of memory in use. ENERGY: 2613800 739.4028 2142.8343 1955.2394 114.9108 -205853.9636 17551.0870 0.0000 0.0000 34174.3971 -149176.0921 298.4535 -183350.4893 -149077.6163 299.3888 -134.4442 -100.7911 558668.6204 -0.7532 -0.6767 PRESSURE: 2614000 139.29 -133.264 93.6183 -133.264 -226.732 20.4862 93.6199 20.4859 58.381 GPRESSURE: 2614000 244.54 -155.907 30.474 -113.206 -232.511 -4.47221 117.99 -60.1449 74.1005 PRESSAVG: 2614000 56.7071 -25.402 20.7926 -25.402 -4.59319 -53.2609 20.7926 -53.2609 -46.6939 GPRESSAVG: 2614000 57.6544 -24.3084 19.2701 -24.1448 -6.85487 -53.2426 20.5439 -51.4316 -45.4009 TIMING: 2614000 CPU: 7797.09, 0.00295403/step Wall: 7797.09, 0.00295403/step, 1.95787 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2614000 767.7719 2075.9175 1943.2813 113.1666 -206371.3502 17880.7735 0.0000 0.0000 34215.1306 -149375.3088 298.8092 -183590.4394 -149280.0454 299.1516 -9.6870 28.7099 556797.8381 1.8067 1.7996 PRESSURE: 2614200 -223.502 -80.0795 -19.7923 -80.0801 4.94887 -134.82 -19.7933 -134.819 1.76928 GPRESSURE: 2614200 -210.941 -10.7729 -84.9606 -77.2297 15.9713 -160.148 35.2869 -106.513 49.5729 PRESSAVG: 2614200 -21.4786 -23.5561 19.0431 -23.5561 53.8812 -32.7248 19.0432 -32.7248 38.6312 GPRESSAVG: 2614200 -21.9486 -23.2303 19.4557 -24.1185 54.2366 -34.0429 19.0939 -33.5656 38.5675 TIMING: 2614200 CPU: 7797.68, 0.00296678/step Wall: 7797.68, 0.00296678/step, 1.96615 hours remaining, 206.734375 MB of memory in use. ENERGY: 2614200 738.6334 2133.6757 1941.3128 106.2051 -206310.3933 17789.1204 0.0000 0.0000 34270.2420 -149331.2039 299.2905 -183601.4459 -149233.4058 299.0343 -72.2612 -48.4656 557640.6860 23.6780 23.6185 PRESSURE: 2614400 -52.8851 -15.1741 -34.1645 -15.1742 158.247 -73.0442 -34.1635 -73.0455 -41.6362 GPRESSURE: 2614400 32.9636 58.8282 -17.7033 -12.4165 125.11 -98.0337 -51.8531 -106.904 -9.27319 PRESSAVG: 2614400 49.4594 -22.9481 7.73063 -22.9481 -31.9692 23.593 7.73062 23.593 -7.80318 GPRESSAVG: 2614400 49.2488 -25.4216 7.17592 -21.0837 -31.9587 25.5647 7.60828 23.1993 -7.77851 TIMING: 2614400 CPU: 7798.29, 0.00300417/step Wall: 7798.29, 0.00300417/step, 1.99077 hours remaining, 206.734375 MB of memory in use. ENERGY: 2614400 765.2814 2112.3060 1957.3879 124.7482 -206527.3691 18003.7708 0.0000 0.0000 34096.0194 -149467.8555 297.7690 -183563.8749 -149372.3280 299.2597 21.2420 49.6002 556022.7584 3.2290 3.1705 PRESSURE: 2614600 95.9116 -30.4992 -82.0826 -30.4998 -162.869 176.947 -82.0824 176.946 -166.245 GPRESSURE: 2614600 70.6667 -119.19 -72.5711 -53.0161 -106.379 224.412 -142.191 228.179 -100.008 PRESSAVG: 2614600 -14.8635 30.1268 -52.0018 30.1268 -28.7754 2.95946 -52.0018 2.95958 11.5787 GPRESSAVG: 2614600 -14.3043 30.8712 -50.6627 28.8678 -29.4947 0.660089 -53.3191 3.72685 11.4169 TIMING: 2614600 CPU: 7798.88, 0.00298818/step Wall: 7798.88, 0.00298818/step, 1.98 hours remaining, 206.734375 MB of memory in use. ENERGY: 2614600 775.8895 2095.8709 1939.5342 112.7907 -206360.5223 17787.5352 0.0000 0.0000 34271.9420 -149376.9598 299.3054 -183648.9018 -149270.1506 299.6267 -77.7340 -45.2402 556986.6664 -10.6867 -10.7941 PRESSURE: 2614800 103.259 -133.271 15.2976 -133.271 70.7327 37.5737 15.2981 37.5731 52.8491 GPRESSURE: 2614800 143.865 -216.654 33.9246 -113.211 71.9942 17.0006 20.0889 9.04122 98.8788 PRESSAVG: 2614800 29.9126 -12.1665 -27.1609 -12.1664 -30.8337 27.8149 -27.1608 27.8148 40.9145 GPRESSAVG: 2614800 30.0055 -12.1499 -26.6524 -14.9204 -30.2236 27.13 -26.21 26.7022 39.8579 TIMING: 2614800 CPU: 7799.47, 0.00294953/step Wall: 7799.47, 0.00294953/step, 1.95423 hours remaining, 206.734375 MB of memory in use. ENERGY: 2614800 749.8652 2097.2315 1927.0823 111.2868 -206576.3421 18042.6625 0.0000 0.0000 34311.8518 -149336.3619 299.6539 -183648.2137 -149242.9557 299.7298 75.6138 104.9127 556466.7533 13.3311 13.2133 PRESSURE: 2615000 -188.453 -20.3607 -136.583 -20.3615 12.3499 -156.094 -136.584 -156.094 122.011 GPRESSURE: 2615000 -123.602 56.8137 -130.458 -55.7167 36.923 -95.8257 -127.443 -165.265 130.472 PRESSAVG: 2615000 -96.8999 -57.1608 6.94916 -57.1607 35.868 -57.9554 6.94912 -57.9555 37.6577 GPRESSAVG: 2615000 -97.673 -56.7361 6.14166 -54.5162 35.9363 -57.2432 5.13377 -56.0568 38.0829 TIMING: 2615000 CPU: 7800.06, 0.00294902/step Wall: 7800.06, 0.00294902/step, 1.95373 hours remaining, 206.734375 MB of memory in use. ENERGY: 2615000 785.6953 2151.4992 1957.5586 121.2329 -206587.3591 18023.0912 0.0000 0.0000 34244.6611 -149303.6208 299.0671 -183548.2819 -149208.7998 299.0749 -18.0306 14.5976 557415.8956 -7.7914 -7.8846 PRESSURE: 2615200 -85.0362 8.41634 -130.481 8.41562 -145.986 90.011 -130.48 90.0111 45.6758 GPRESSURE: 2615200 -71.523 -18.8109 -119.878 33.328 -35.1048 53.839 -172.371 53.6742 8.11035 PRESSAVG: 2615200 -13.0587 -54.3184 -40.1499 -54.3183 56.7203 24.0496 -40.15 24.0497 -22.4232 GPRESSAVG: 2615200 -14.1805 -54.053 -39.1097 -54.8748 57.2729 27.8807 -39.1295 20.6439 -22.1239 TIMING: 2615200 CPU: 7800.67, 0.00302272/step Wall: 7800.67, 0.00302272/step, 2.00239 hours remaining, 206.734375 MB of memory in use. ENERGY: 2615200 797.2377 2089.3725 1947.0223 107.8269 -206030.2005 17716.7715 0.0000 0.0000 34150.9581 -149221.0116 298.2488 -183371.9697 -149132.9513 299.9439 -61.7821 -32.8391 556879.2752 7.0794 6.9895 PRESSURE: 2615400 11.1353 45.2613 101.625 45.2615 -36.6636 5.99681 101.626 5.99746 -183.957 GPRESSURE: 2615400 17.5029 101.232 58.3408 4.93132 48.1794 35.9007 138.995 -19.3715 -157.327 PRESSAVG: 2615400 14.1616 -12.0915 7.80188 -12.0916 16.2425 8.69099 7.80188 8.69094 -30.7307 GPRESSAVG: 2615400 14.7491 -15.1374 5.87843 -10.8321 15.7988 5.65983 9.39217 10.3394 -30.7126 TIMING: 2615400 CPU: 7801.26, 0.00297211/step Wall: 7801.26, 0.00297211/step, 1.96869 hours remaining, 206.734375 MB of memory in use. ENERGY: 2615400 732.4800 2143.9809 1953.6203 120.4266 -206270.4342 17895.5849 0.0000 0.0000 34254.9133 -149169.4280 299.1567 -183424.3413 -149075.8243 299.0261 -69.8284 -30.5484 558567.3669 -0.1089 -0.0549 PRESSURE: 2615600 -127.535 -124.922 -192.789 -124.923 63.2284 -106.782 -192.788 -106.782 77.6837 GPRESSURE: 2615600 -104.924 -122.641 -154.479 -178.288 84.9103 -73.8896 -270.656 -141.921 136.033 PRESSAVG: 2615600 37.8637 -22.3412 -41.0345 -22.3411 17.2739 11.5844 -41.0344 11.5844 -77.1265 GPRESSAVG: 2615600 37.8245 -19.722 -41.3474 -22.5429 18.3994 11.4025 -41.4213 11.9246 -78.0782 TIMING: 2615600 CPU: 7801.85, 0.00294803/step Wall: 7801.85, 0.00294803/step, 1.95258 hours remaining, 206.734375 MB of memory in use. ENERGY: 2615600 709.0191 2101.8575 1970.4047 117.3270 -206246.2454 17844.7103 0.0000 0.0000 34223.3952 -149279.5315 298.8814 -183502.9267 -149179.5205 299.1698 4.4591 38.6732 557267.4455 -7.3296 -7.2847 PRESSURE: 2615800 -205.302 -182.422 -37.3137 -182.422 182.978 65.9464 -37.3158 65.9484 -15.9386 GPRESSURE: 2615800 -165.643 -134.672 -139.233 -216.308 238.125 -42.0585 -59.1133 148.962 -21.3538 PRESSAVG: 2615800 29.8498 -44.7374 -55.349 -44.7374 23.404 8.52495 -55.3491 8.52497 6.11885 GPRESSAVG: 2615800 29.46 -46.011 -54.324 -45.7913 23.348 8.74992 -54.6742 8.94183 5.55176 TIMING: 2615800 CPU: 7802.44, 0.00293893/step Wall: 7802.44, 0.00293893/step, 1.94639 hours remaining, 206.734375 MB of memory in use. ENERGY: 2615800 775.7182 2116.1893 1933.2348 118.0954 -206578.5603 17938.1819 0.0000 0.0000 34361.5976 -149335.5430 300.0884 -183697.1406 -149237.2285 299.3960 -12.7543 17.0430 556819.8882 19.7909 19.4533 PRESSURE: 2616000 -170.652 -37.183 -55.2962 -37.1842 118.871 -88.0006 -55.297 -87.9999 -96.4897 GPRESSURE: 2616000 -150.781 -56.1387 -114.303 38.1319 158.567 -79.3082 -16.9891 -109.419 -50.5854 PRESSAVG: 2616000 -0.616621 -7.88826 -26.4289 -7.88823 34.9915 -4.99151 -26.4289 -4.99149 -37.8153 GPRESSAVG: 2616000 -0.639871 -8.49655 -25.8601 -5.62221 34.0819 -3.51625 -28.8006 -3.32137 -36.2947 TIMING: 2616000 CPU: 7803.03, 0.0029455/step Wall: 7803.03, 0.0029455/step, 1.95058 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2616000 758.6483 2103.8084 1935.1970 112.2258 -205902.2094 17557.5604 0.0000 0.0000 34028.2133 -149406.5561 297.1768 -183434.7694 -149314.8387 298.6584 -49.4236 -14.2663 557002.6655 -1.1468 -0.9509 PRESSURE: 2616200 146.332 -109.681 78.0249 -109.681 -7.15551 160.197 78.0255 160.197 86.8784 GPRESSURE: 2616200 132.599 -185.535 107.585 -42.1683 79.1313 192.739 46.3225 130.981 116.937 PRESSAVG: 2616200 33.1337 -19.9438 16.0463 -19.9438 15.7174 4.37393 16.0463 4.3739 -30.8286 GPRESSAVG: 2616200 32.0014 -18.3356 16.7733 -21.7368 16.5027 2.61453 17.2005 3.48843 -30.9246 TIMING: 2616200 CPU: 7803.62, 0.00294851/step Wall: 7803.62, 0.00294851/step, 1.95241 hours remaining, 206.734375 MB of memory in use. ENERGY: 2616200 743.9529 2104.5373 1957.7952 111.4054 -206602.4613 18025.3490 0.0000 0.0000 34305.7681 -149353.6533 299.6008 -183659.4214 -149256.8296 298.5119 75.3517 109.5559 557192.1029 6.0075 5.8598 LDB: ============= START OF LOAD BALANCING ============== 7807.17 LDB: ============== END OF LOAD BALANCING =============== 7807.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7807.17 LDB: ============= START OF LOAD BALANCING ============== 7807.47 LDB: Largest compute 4773 load 0.028551 is 24.1% of average load 0.118240 LDB: Average compute 0.001743 is 1.5% of average load 0.118240 LDB: TIME 7807.47 LOAD: AVG 0.11824 MAX 0.203323 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 7807.47 LOAD: AVG 0.11824 MAX 0.203323 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.449 MB LDB: TIME 7807.47 LOAD: AVG 0.11824 MAX 0.203323 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.449 MB LDB: ============== END OF LOAD BALANCING =============== 7807.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7807.47 PRESSURE: 2616400 -46.9038 -4.59615 -115.953 -4.59411 158.27 -173.514 -115.954 -173.514 84.9355 GPRESSURE: 2616400 -19.8929 -22.8801 -42.0103 72.4488 172.801 -118.718 -191.779 -45.8715 126.914 PRESSAVG: 2616400 -9.02232 -49.7583 8.04622 -49.7583 -34.6686 -15.6993 8.04613 -15.6993 25.293 GPRESSAVG: 2616400 -6.80284 -49.9708 6.149 -50.1228 -35.096 -11.9267 9.35674 -19.0324 23.6626 TIMING: 2616400 CPU: 7804.22, 0.00303261/step Wall: 7804.22, 0.00303261/step, 2.00793 hours remaining, 209.816406 MB of memory in use. ENERGY: 2616400 697.5541 2101.6718 1935.3681 108.6316 -206467.0183 17994.0915 0.0000 0.0000 34167.0009 -149462.7004 298.3889 -183629.7013 -149367.2192 299.2079 65.4339 93.2739 558544.3605 -6.1326 -6.0787 PRESSURE: 2616600 20.6623 -147.72 -17.0044 -147.719 -85.2645 59.123 -17.004 59.1238 95.1519 GPRESSURE: 2616600 51.7512 -226.098 -48.461 -87.8709 -40.988 -11.5746 -86.1684 143.084 121.148 PRESSAVG: 2616600 14.8716 -24.968 -2.79336 -24.9682 15.8436 -6.29933 -2.79336 -6.29928 -13.5846 GPRESSAVG: 2616600 13.9922 -25.2283 -2.76421 -23.2403 15.7245 -7.94494 -4.64254 -5.29138 -12.2238 TIMING: 2616600 CPU: 7804.82, 0.00298177/step Wall: 7804.82, 0.00298177/step, 1.9741 hours remaining, 210.015625 MB of memory in use. ENERGY: 2616600 730.5214 2084.2331 1947.4723 113.3997 -206501.2870 17883.1478 0.0000 0.0000 34218.2259 -149524.2868 298.8363 -183742.5126 -149420.9987 298.8562 10.1832 43.9702 558898.3999 5.7102 5.8310 PRESSURE: 2616800 -115.069 -20.3504 5.18959 -20.3505 149.201 -112.325 5.1899 -112.326 -48.8532 GPRESSURE: 2616800 -71.9159 -37.0352 58.7739 -68.0285 140.738 -161.033 3.53967 -42.0716 34.3819 PRESSAVG: 2616800 65.6445 -23.7734 35.1664 -23.7735 -44.702 -5.65019 35.1664 -5.65012 -6.79781 GPRESSAVG: 2616800 65.4501 -24.0136 36.0439 -23.9327 -45.2678 -7.4271 35.5082 -3.56356 -5.50697 TIMING: 2616800 CPU: 7805.41, 0.00296144/step Wall: 7805.41, 0.00296144/step, 1.96047 hours remaining, 210.015625 MB of memory in use. ENERGY: 2616800 747.4002 2017.1190 1934.5022 117.3876 -206881.8014 18092.8612 0.0000 0.0000 34353.8148 -149618.7163 300.0204 -183972.5311 -149533.5479 299.2875 -4.9071 34.4013 558380.6316 4.7149 4.8918 PRESSURE: 2617000 -154.99 38.6717 -46.9241 38.6719 -48.0569 51.8096 -46.924 51.8096 86.0788 GPRESSURE: 2617000 -124.121 19.1559 -22.9893 53.8784 36.5355 110.16 -41.1352 -38.6086 74.6457 PRESSAVG: 2617000 53.9649 -6.41432 38.9757 -6.41422 1.12292 17.5854 38.9758 17.5854 -13.3035 GPRESSAVG: 2617000 53.2882 -5.12852 38.6269 -5.87984 1.54853 18.4579 41.2803 14.9751 -13.5016 TIMING: 2617000 CPU: 7806, 0.00295843/step Wall: 7806, 0.00295843/step, 1.95832 hours remaining, 210.015625 MB of memory in use. ENERGY: 2617000 716.2612 2094.4479 1935.0296 112.3454 -206410.5827 17702.3239 0.0000 0.0000 34333.9805 -149516.1941 299.8472 -183850.1746 -149421.9594 298.6312 -38.9893 -4.3131 558119.2981 13.9281 13.7784 PRESSURE: 2617200 174.683 104.043 166.458 104.044 100.763 -60.982 166.457 -60.9822 -21.2881 GPRESSURE: 2617200 190.512 22.099 148.295 156.259 56.3135 -52.4101 218.486 -63.2136 106.845 PRESSAVG: 2617200 32.8594 -32.22 21.7024 -32.22 -19.5899 -3.40688 21.7023 -3.40684 -34.9471 GPRESSAVG: 2617200 32.8876 -31.698 22.0456 -34.0342 -19.4258 -2.93249 18.1033 -3.62964 -35.1875 TIMING: 2617200 CPU: 7806.6, 0.00296399/step Wall: 7806.6, 0.00296399/step, 1.96183 hours remaining, 210.015625 MB of memory in use. ENERGY: 2617200 740.8487 2091.5383 1940.3543 105.5976 -206565.3851 18059.5758 0.0000 0.0000 34009.2479 -149618.2226 297.0112 -183627.4704 -149524.2479 297.8373 84.7194 117.8903 558662.9672 -7.2259 -7.2419 PRESSURE: 2617400 -57.7259 5.76406 -52.8035 5.76212 -55.559 -37.9178 -52.8031 -37.9181 -0.82195 GPRESSURE: 2617400 27.4948 74.7572 -15.8675 -30.4175 -28.3677 12.7552 10.958 -64.8833 -11.2417 PRESSAVG: 2617400 -14.7105 -38.0322 -12.0627 -38.0322 -11.3197 22.0452 -12.0626 22.0452 -15.937 GPRESSAVG: 2617400 -12.9191 -37.2829 -13.2385 -36.6728 -11.1659 23.2285 -10.5372 24.3285 -17.7333 TIMING: 2617400 CPU: 7807.19, 0.00293912/step Wall: 7807.19, 0.00293912/step, 1.94521 hours remaining, 210.015625 MB of memory in use. ENERGY: 2617400 772.7620 2083.5600 1895.6500 120.2871 -206442.2262 17941.8955 0.0000 0.0000 34003.3508 -149624.7208 296.9597 -183628.0717 -149524.1841 297.9218 -38.0356 -4.0382 559111.9870 -13.9891 -13.9394 PRESSURE: 2617600 55.9116 116.552 -98.0362 116.551 -183.263 -98.906 -98.0363 -98.9064 197.627 GPRESSURE: 2617600 85.9684 127.168 -123.565 107.517 -104.071 -135.554 -97.1695 -83.9567 192.767 PRESSAVG: 2617600 128.36 77.2671 -53.8584 77.2671 -52.6425 -19.7605 -53.8584 -19.7605 -48.3504 GPRESSAVG: 2617600 129.155 74.7728 -54.6366 77.3779 -53.4551 -21.609 -53.8048 -22.4424 -47.7203 TIMING: 2617600 CPU: 7807.77, 0.00293293/step Wall: 7807.77, 0.00293293/step, 1.94095 hours remaining, 210.015625 MB of memory in use. ENERGY: 2617600 721.2812 2099.7905 1925.9992 110.1257 -206654.0776 18095.9918 0.0000 0.0000 33950.9416 -149749.9477 296.5020 -183700.8892 -149658.8182 297.8398 23.4252 58.2216 558641.9610 9.1222 9.3265 PRESSURE: 2617800 90.0505 -59.8889 95.2432 -59.8892 -6.95788 -218.815 95.2425 -218.815 -319.205 GPRESSURE: 2617800 107.249 -98.6999 67.3142 -53.2714 -48.6344 -194.498 101.74 -215.101 -189.313 PRESSAVG: 2617800 -20.8446 24.6525 50.4179 24.6525 1.65571 -99.3359 50.4178 -99.3359 30.2794 GPRESSAVG: 2617800 -20.4801 23.2762 51.5311 25.7356 1.14426 -99.0378 51.0962 -97.4247 30.2391 TIMING: 2617800 CPU: 7808.36, 0.0029571/step Wall: 7808.36, 0.0029571/step, 1.95678 hours remaining, 210.015625 MB of memory in use. ENERGY: 2617800 713.5453 2124.9703 1931.8309 121.0094 -206674.2253 17743.1799 0.0000 0.0000 34415.9146 -149623.7750 300.5627 -184039.6896 -149531.9197 297.8686 -78.7042 -43.5661 556214.5675 3.6968 3.6344 PRESSURE: 2618000 -334.567 -42.2493 -47.3427 -42.25 9.12462 47.8797 -47.3434 47.8793 -118.767 GPRESSURE: 2618000 -277.065 -45.1064 -60.9815 -32.7588 31.3066 98.8565 -37.9642 -6.08684 -107.362 PRESSAVG: 2618000 -106.084 9.13334 16.1147 9.13331 67.9613 -54.3285 16.1149 -54.3285 19.283 GPRESSAVG: 2618000 -107.566 10.0364 14.7414 9.79215 69.3712 -53.8009 18.9602 -54.8047 19.4005 TIMING: 2618000 CPU: 7808.96, 0.00297123/step Wall: 7808.96, 0.00297123/step, 1.96596 hours remaining, 210.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2618000 742.4254 2111.2156 1913.9028 103.5134 -206544.8219 17724.2640 0.0000 0.0000 34263.1674 -149686.3333 299.2288 -183949.5007 -149587.5833 298.0666 -148.0698 -117.7069 556312.8160 -6.2800 -6.2646 PRESSURE: 2618200 -47.3662 -19.0079 35.5924 -19.0089 -1.30098 26.2131 35.5923 26.2138 59.2482 GPRESSURE: 2618200 -31.2303 10.354 -1.69122 11.6594 61.9499 51.8814 -26.0627 -3.86069 65.5885 PRESSAVG: 2618200 -34.625 1.22258 -24.881 1.22257 -9.71257 -65.5701 -24.8809 -65.5701 64.3388 GPRESSAVG: 2618200 -35.2834 3.58823 -22.5786 -1.39525 -9.64432 -66.0231 -26.9856 -66.0622 63.9385 TIMING: 2618200 CPU: 7809.55, 0.00298015/step Wall: 7809.55, 0.00298015/step, 1.9717 hours remaining, 210.015625 MB of memory in use. ENERGY: 2618200 709.3603 2115.8175 1955.9105 104.1837 -206352.4476 17651.2141 0.0000 0.0000 34137.8315 -149678.1300 298.1342 -183815.9615 -149583.3316 298.3266 3.5270 32.1027 555400.5499 6.6671 6.3369 PRESSURE: 2618400 101.213 18.8759 168.07 18.8769 -204.612 -94.6745 168.07 -94.6751 228.183 GPRESSURE: 2618400 85.9534 -46.9958 61.2004 67.489 -81.9387 -45.501 178.428 -29.063 216.18 PRESSAVG: 2618400 14.2588 8.78543 -5.25417 8.78546 -8.54941 -47.0711 -5.25423 -47.0711 28.0201 GPRESSAVG: 2618400 13.7113 8.79718 -6.31184 9.91514 -8.18429 -45.6833 -5.60725 -47.6865 28.0845 TIMING: 2618400 CPU: 7810.15, 0.00298486/step Wall: 7810.15, 0.00298486/step, 1.97465 hours remaining, 210.015625 MB of memory in use. ENERGY: 2618400 758.8301 2085.8907 1951.7787 97.5030 -206819.3688 17964.7214 0.0000 0.0000 34447.8560 -149512.7889 300.8417 -183960.6448 -149411.7469 298.4784 41.5946 73.3982 557456.7476 11.2432 11.2038 PRESSURE: 2618600 57.5854 26.6962 93.5309 26.6961 27.6606 0.271317 93.5303 0.272901 -14.3699 GPRESSURE: 2618600 46.5239 39.0056 69.7514 10.5302 67.6757 -17.5589 56.3584 -24.3662 54.7303 PRESSAVG: 2618600 57.5289 19.2143 50.0054 19.2144 -65.4812 -1.1127 50.0054 -1.11251 27.579 GPRESSAVG: 2618600 59.7822 18.5536 50.6064 17.0352 -66.8821 -2.72338 50.0195 -0.184845 26.7367 TIMING: 2618600 CPU: 7810.75, 0.00299441/step Wall: 7810.75, 0.00299441/step, 1.9808 hours remaining, 210.015625 MB of memory in use. ENERGY: 2618600 740.5354 2066.2920 1934.0920 99.2632 -206580.8342 17909.7111 0.0000 0.0000 34238.8638 -149592.0767 299.0165 -183830.9405 -149496.2228 299.1617 23.6254 56.3100 557037.1399 6.5422 6.5456 PRESSURE: 2618800 -110.106 -14.0575 5.56429 -14.0578 -46.1333 31.2756 5.56542 31.275 -260.945 GPRESSURE: 2618800 -97.0256 31.7695 -42.7415 -55.388 10.9008 49.315 -47.1579 -14.2049 -224.458 PRESSAVG: 2618800 9.92995 55.0373 37.1794 55.0373 9.85277 -76.8276 37.1794 -76.8276 23.0163 GPRESSAVG: 2618800 8.69705 54.5537 36.3246 56.3844 8.93304 -74.7294 38.5953 -78.8291 25.0267 TIMING: 2618800 CPU: 7811.35, 0.00299524/step Wall: 7811.35, 0.00299524/step, 1.98118 hours remaining, 210.015625 MB of memory in use. ENERGY: 2618800 740.8303 2184.1804 1932.4909 115.4455 -206459.7051 17675.0983 0.0000 0.0000 34372.2687 -149439.3909 300.1816 -183811.6596 -149338.7749 298.9931 -139.0613 -103.5276 557799.4058 14.2663 14.2189 PRESSURE: 2619000 0.185124 241.335 23.615 241.335 15.568 -95.991 23.6152 -95.9911 32.1554 GPRESSURE: 2619000 2.07307 235.312 78.7694 210.309 57.308 -2.50321 73.9109 -142.946 68.392 PRESSAVG: 2619000 35.3121 63.9976 -2.3839 63.9975 35.6997 21.7323 -2.38392 21.7323 -48.6184 GPRESSAVG: 2619000 35.6095 64.0767 -1.71317 64.2794 37.0887 18.9664 -4.51028 22.5952 -50.8668 TIMING: 2619000 CPU: 7811.94, 0.00296981/step Wall: 7811.94, 0.00296981/step, 1.9642 hours remaining, 210.015625 MB of memory in use. ENERGY: 2619000 749.5655 2067.3009 1965.9959 104.6322 -206542.6587 17872.8033 0.0000 0.0000 34092.4163 -149689.9446 297.7376 -183782.3609 -149593.4170 298.7545 15.9695 42.5910 556965.1986 7.4644 7.2771 PRESSURE: 2619200 109.327 -126.255 -130.567 -126.255 -154.993 4.49008 -130.564 4.48889 43.8843 GPRESSURE: 2619200 124.449 -70.7124 -192.868 -116.952 -35.256 100.138 -14.2098 -0.0818564 17.5147 PRESSAVG: 2619200 -20.5664 -14.1127 53.9405 -14.1128 1.74198 -8.98053 53.9405 -8.98054 -14.4517 GPRESSAVG: 2619200 -20.4915 -14.9513 53.8051 -12.4774 0.747394 -6.35648 53.67 -8.03516 -13.2872 TIMING: 2619200 CPU: 7812.54, 0.0029669/step Wall: 7812.54, 0.0029669/step, 1.96211 hours remaining, 210.015625 MB of memory in use. ENERGY: 2619200 744.6789 2105.8966 1940.8471 110.2198 -206776.5530 18067.9241 0.0000 0.0000 34142.4629 -149664.5236 298.1746 -183806.9865 -149567.6046 298.3792 -0.5938 35.5691 558400.2405 -11.0921 -11.0104 PRESSURE: 2619400 -65.4868 -58.2121 90.3447 -58.2114 -50.9793 -79.1257 90.3448 -79.1241 56.1521 GPRESSURE: 2619400 -23.5511 -89.0381 151.629 -61.3351 41.3211 -61.1069 117.697 -82.6349 27.5527 PRESSAVG: 2619400 28.6719 16.8988 20.9746 16.8989 45.456 18.0716 20.9746 18.0716 -42.4533 GPRESSAVG: 2619400 28.7118 18.7928 19.9733 12.9238 46.2825 18.4968 23.9645 17.6097 -43.0709 TIMING: 2619400 CPU: 7813.13, 0.00295871/step Wall: 7813.13, 0.00295871/step, 1.95653 hours remaining, 210.015625 MB of memory in use. ENERGY: 2619400 795.6353 2105.2034 1935.2103 117.0279 -206439.9401 17791.3558 0.0000 0.0000 34145.2873 -149550.2201 298.1993 -183695.5074 -149459.4178 299.5157 -20.1047 15.1075 557598.6315 10.5582 10.6411 PRESSURE: 2619600 80.5015 -8.00958 -37.2005 -8.00863 -170.129 -87.9534 -37.2 -87.9555 -90.5026 GPRESSURE: 2619600 151.282 -9.48054 -28.4808 28.3867 -173.696 -74.9121 96.7116 -10.9644 -69.4707 PRESSAVG: 2619600 10.6095 16.8827 20.2796 16.8826 17.221 -3.63418 20.2797 -3.63425 -39.9331 GPRESSAVG: 2619600 11.4479 16.3396 20.8824 19.3965 15.858 -4.15838 18.6583 -3.96391 -39.5338 TIMING: 2619600 CPU: 7813.72, 0.00294116/step Wall: 7813.72, 0.00294116/step, 1.94476 hours remaining, 210.015625 MB of memory in use. ENERGY: 2619600 750.6419 2134.7467 1947.0888 109.0264 -206233.2691 17602.7743 0.0000 0.0000 34143.4680 -149545.5229 298.1834 -183688.9909 -149449.9082 298.7657 -60.0432 -30.6280 555394.1137 -4.0342 -4.0760 PRESSURE: 2619800 38.3719 150.66 92.7001 150.659 -240.168 78.2729 92.7016 78.2729 178.633 GPRESSURE: 2619800 81.3898 102.764 63.6979 155.628 -195.275 75.0299 78.5544 -9.95463 180.902 PRESSAVG: 2619800 70.3486 59.4365 22.6821 59.4365 -26.7248 -11.9243 22.6821 -11.9242 -18.4384 GPRESSAVG: 2619800 69.3552 59.3746 25.407 59.3197 -25.6754 -11.1171 21.3376 -12.3471 -18.1667 TIMING: 2619800 CPU: 7814.31, 0.00294843/step Wall: 7814.31, 0.00294843/step, 1.94941 hours remaining, 210.015625 MB of memory in use. ENERGY: 2619800 746.1952 2057.4427 1922.4309 112.4590 -206226.1003 17872.8646 0.0000 0.0000 34081.1700 -149433.5378 297.6393 -183514.7078 -149335.3914 298.4022 -7.7210 22.3390 556737.0946 8.3951 8.5044 PRESSURE: 2620000 30.6843 92.8012 207.022 92.8011 74.1475 29.8776 207.022 29.8791 -35.2217 GPRESSURE: 2620000 78.5882 101.104 112.07 97.0836 61.9597 -23.2446 183.86 63.6901 20.3813 PRESSAVG: 2620000 -70.891 6.55754 62.0237 6.55747 55.0285 5.24307 62.0237 5.243 -10.3066 GPRESSAVG: 2620000 -70.8924 7.36233 59.991 8.28216 54.6205 3.84702 63.1014 4.48584 -9.75595 TIMING: 2620000 CPU: 7814.89, 0.00293278/step Wall: 7814.89, 0.00293278/step, 1.9389 hours remaining, 210.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2620000 769.0755 2097.7917 1958.6707 112.4747 -206492.5700 17882.2905 0.0000 0.0000 34179.6916 -149492.5754 298.4997 -183672.2669 -149394.6542 299.2491 23.2034 53.6431 556042.4386 -8.7230 -8.6759 PRESSURE: 2620200 -351.465 125.637 65.456 125.638 -2.6441 -203.727 65.4556 -203.728 86.4113 GPRESSURE: 2620200 -251.142 187.518 125.783 129.982 18.0831 -206.58 75.7984 -123.654 59.4648 PRESSAVG: 2620200 -115.781 7.66371 -6.51061 7.66372 48.5569 -27.893 -6.51059 -27.893 42.4099 GPRESSAVG: 2620200 -116.297 7.36337 -4.43547 7.59103 48.5753 -27.1497 -7.61587 -28.6652 42.6298 TIMING: 2620200 CPU: 7815.48, 0.00292641/step Wall: 7815.48, 0.00292641/step, 1.93452 hours remaining, 210.015625 MB of memory in use. ENERGY: 2620200 777.4275 2050.4616 1948.0609 119.1867 -206439.0911 17941.5603 0.0000 0.0000 34212.2178 -149390.1763 298.7838 -183602.3941 -149291.5832 299.3656 -89.2324 -57.8648 557414.4486 -8.2713 -8.3639 LDB: ============= START OF LOAD BALANCING ============== 7819.02 LDB: ============== END OF LOAD BALANCING =============== 7819.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7819.02 LDB: ============= START OF LOAD BALANCING ============== 7819.32 LDB: Largest compute 4773 load 0.026511 is 22.4% of average load 0.118303 LDB: Average compute 0.001746 is 1.5% of average load 0.118303 LDB: TIME 7819.32 LOAD: AVG 0.118303 MAX 0.203536 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.012 MB LDB: TIME 7819.32 LOAD: AVG 0.118303 MAX 0.203536 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: TIME 7819.32 LOAD: AVG 0.118303 MAX 0.203536 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: ============== END OF LOAD BALANCING =============== 7819.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7819.33 PRESSURE: 2620400 -93.2441 -5.84331 -281.283 -5.84391 -280.495 -130.502 -281.281 -130.502 -169.93 GPRESSURE: 2620400 -96.9635 -93.1928 -259.092 55.907 -233.109 -127.23 -250.382 -190.168 -115.797 PRESSAVG: 2620400 -62.4509 -21.3136 -32.8044 -21.3135 60.3532 -34.3463 -32.8044 -34.3462 1.1782 GPRESSAVG: 2620400 -61.6027 -22.371 -33.6998 -24.1887 58.6903 -33.9832 -31.4298 -32.4283 2.25152 TIMING: 2620400 CPU: 7816.08, 0.00299754/step Wall: 7816.08, 0.00299754/step, 1.98138 hours remaining, 207.949219 MB of memory in use. ENERGY: 2620400 765.0246 2103.2764 1952.1498 114.4176 -206437.9753 17851.9052 0.0000 0.0000 34372.1458 -149279.0559 300.1805 -183651.2017 -149180.2086 299.7222 -181.2228 -148.6231 558073.5569 -0.3065 -0.2203 PRESSURE: 2620600 -32.0945 -156.895 -14.3174 -156.896 -194.595 102.615 -14.3178 102.614 -301.94 GPRESSURE: 2620600 -20.2084 -194.113 -48.0147 -124.232 -183.382 58.0353 -5.82174 35.0606 -224.07 PRESSAVG: 2620600 17.926 -42.5915 30.9459 -42.5915 25.8465 12.3118 30.946 12.3118 -47.7113 GPRESSAVG: 2620600 16.7702 -43.1089 31.3241 -39.401 28.2966 11.0408 30.7616 13.1724 -49.1041 TIMING: 2620600 CPU: 7816.67, 0.00295518/step Wall: 7816.67, 0.00295518/step, 1.95321 hours remaining, 207.949219 MB of memory in use. ENERGY: 2620600 753.4393 2103.5887 1962.3947 131.9618 -205983.1860 17631.9095 0.0000 0.0000 34226.2441 -149173.6477 298.9063 -183399.8918 -149072.8209 299.5913 -176.2099 -142.5533 557252.9943 -1.3129 -1.3458 PRESSURE: 2620800 -283.598 -54.5301 -145.774 -54.5305 -223.703 24.8675 -145.775 24.8675 65.0263 GPRESSURE: 2620800 -273.327 -77.2729 -141.736 -86.9807 -164.341 5.52707 -136.15 142.48 91.143 PRESSAVG: 2620800 -38.0847 -41.0531 18.9843 -41.0531 13.2837 27.1277 18.9843 27.1276 -11.0273 GPRESSAVG: 2620800 -38.1734 -38.4491 20.0939 -44.8436 11.9402 29.0425 19.1108 28.2895 -9.5567 TIMING: 2620800 CPU: 7817.25, 0.0029359/step Wall: 7817.25, 0.0029359/step, 1.9403 hours remaining, 207.949219 MB of memory in use. ENERGY: 2620800 757.7635 2085.8349 1947.1130 114.1588 -206166.1716 17745.2648 0.0000 0.0000 34366.9379 -149149.0986 300.1350 -183516.0365 -149055.4801 299.5931 -147.4250 -115.5083 558965.7071 -11.9427 -11.9299 PRESSURE: 2621000 122.35 -31.4395 -127.395 -31.4386 134.391 -162.352 -127.395 -162.353 38.7334 GPRESSURE: 2621000 170.852 -38.4848 -247.212 51.5615 128.872 -201.232 -131.728 -112.13 90.8276 PRESSAVG: 2621000 1.00564 -10.2714 -41.4892 -10.2714 -56.5141 -0.407033 -41.4892 -0.40706 14.571 GPRESSAVG: 2621000 0.767139 -13.5244 -45.7867 -7.0402 -54.8635 -1.63927 -39.5712 -2.67028 13.0653 TIMING: 2621000 CPU: 7817.84, 0.00293758/step Wall: 7817.84, 0.00293758/step, 1.94125 hours remaining, 207.949219 MB of memory in use. ENERGY: 2621000 738.9556 2150.4110 1924.7261 115.2463 -206504.2009 17981.4806 0.0000 0.0000 34263.4302 -149329.9512 299.2311 -183593.3814 -149231.0808 300.0118 98.4912 130.1838 557353.1157 -13.6458 -13.6770 PRESSURE: 2621200 116.188 -12.2371 38.4899 -12.2358 251.545 -38.3519 38.4905 -38.3509 0.0232681 GPRESSURE: 2621200 121.727 23.4432 -14.9777 10.136 255.829 -60.5928 66.4242 -76.2617 81.2177 PRESSAVG: 2621200 67.4117 15.6527 0.596068 15.6527 -39.5167 -10.6544 0.595993 -10.6544 25.4975 GPRESSAVG: 2621200 66.7638 18.0496 2.41474 14.8042 -39.2715 -12.6775 -2.15715 -9.27264 25.5183 TIMING: 2621200 CPU: 7818.43, 0.00296165/step Wall: 7818.43, 0.00296165/step, 1.95699 hours remaining, 207.949219 MB of memory in use. ENERGY: 2621200 713.0487 2128.0415 1927.1637 107.1124 -206295.8369 17906.5465 0.0000 0.0000 34205.0859 -149308.8383 298.7215 -183513.9242 -149212.3605 298.7924 122.5854 152.9244 556300.7541 17.7975 17.6702 PRESSURE: 2621400 -131.31 118.704 10.9655 118.704 60.9487 29.0404 10.9651 29.0411 -3.27055 GPRESSURE: 2621400 -75.2065 90.4149 1.00797 23.6318 14.6706 -39.6123 -15.4557 38.9902 78.3258 PRESSAVG: 2621400 -63.5974 24.2704 -78.8039 24.2704 21.61 -10.146 -78.8039 -10.146 8.64342 GPRESSAVG: 2621400 -63.6816 23.1543 -78.4488 25.5605 19.7997 -8.09631 -77.4168 -12.6138 10.1547 TIMING: 2621400 CPU: 7819.02, 0.00294901/step Wall: 7819.02, 0.00294901/step, 1.94847 hours remaining, 207.949219 MB of memory in use. ENERGY: 2621400 744.6750 2146.8423 1930.9778 107.6848 -206516.4437 17873.1438 0.0000 0.0000 34299.6794 -149413.4406 299.5476 -183713.1200 -149318.0951 299.2233 -24.5440 5.9300 558093.3674 -11.1147 -11.2424 PRESSURE: 2621600 116.868 83.3179 60.2173 83.3178 -273.921 49.3774 60.2178 49.3743 -92.2665 GPRESSURE: 2621600 86.4461 37.7875 37.5963 56.5635 -206.536 88.0565 66.9316 46.7483 -30.2778 PRESSAVG: 2621600 -21.9737 32.9978 -2.6205 32.9978 14.0272 -20.1524 -2.62061 -20.1522 26.1243 GPRESSAVG: 2621600 -21.0664 31.6828 -2.06401 34.3224 16.4411 -19.8553 -2.11708 -18.3456 23.1002 TIMING: 2621600 CPU: 7819.62, 0.00295505/step Wall: 7819.62, 0.00295505/step, 1.9523 hours remaining, 207.949219 MB of memory in use. ENERGY: 2621600 762.1334 2065.2521 1933.4944 123.0757 -206592.9440 17923.7762 0.0000 0.0000 34376.2197 -149408.9925 300.2161 -183785.2122 -149313.0137 299.0752 -83.1064 -50.1225 558070.8032 6.0593 6.1583 PRESSURE: 2621800 -190.892 41.6172 -62.0539 41.6171 -148.714 -42.2583 -62.0555 -42.2581 -266.984 GPRESSURE: 2621800 -125.788 104.587 -103.047 -10.9209 -138.109 23.734 0.20281 -41.7919 -247.148 PRESSAVG: 2621800 -10.3586 0.374042 -43.5915 0.373955 -12.6318 -39.3404 -43.5914 -39.3405 -9.55266 GPRESSAVG: 2621800 -9.52577 1.70772 -43.9538 -2.44032 -14.4678 -39.9682 -44.1827 -40.3357 -8.41929 TIMING: 2621800 CPU: 7820.21, 0.00296251/step Wall: 7820.21, 0.00296251/step, 1.95706 hours remaining, 207.949219 MB of memory in use. ENERGY: 2621800 746.8430 2097.3483 1949.1001 147.6973 -205986.5437 17520.8587 0.0000 0.0000 34068.4633 -149456.2329 297.5284 -183524.6963 -149360.9003 299.0489 -202.1966 -170.3484 557970.3597 -10.8477 -10.8043 PRESSURE: 2622000 -173.096 38.0323 2.63677 38.0336 53.4406 238.268 2.63682 238.269 -86.6979 GPRESSURE: 2622000 -146.16 70.0012 47.3237 35.9303 88.1705 222.128 -12.8434 204.88 -54.47 PRESSAVG: 2622000 -66.9527 12.7527 42.9303 12.7527 8.13547 13.8712 42.9303 13.8712 23.7183 GPRESSAVG: 2622000 -68.0428 13.2295 41.856 13.4205 8.25691 13.4344 42.2996 13.8851 24.5991 TIMING: 2622000 CPU: 7820.8, 0.00297661/step Wall: 7820.8, 0.0029766/step, 1.96621 hours remaining, 207.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2622000 798.1370 2102.9880 1927.4153 115.2145 -206309.0777 17682.2369 0.0000 0.0000 34251.2579 -149431.8281 299.1248 -183683.0860 -149334.8361 298.4925 -68.7844 -37.4864 556475.1385 -11.6997 -11.7289 PRESSURE: 2622200 53.9007 40.2348 109.174 40.2348 81.1881 11.8174 109.173 11.8172 -29.0836 GPRESSURE: 2622200 54.8178 41.0626 231.911 48.3016 163.478 33.7251 -4.48267 -31.9491 -14.4528 PRESSAVG: 2622200 30.4238 90.7581 23.4744 90.7581 13.1089 27.0031 23.4744 27.0031 10.8534 GPRESSAVG: 2622200 30.6761 91.6763 23.5241 88.7016 14.0444 26.5082 23.3314 27.4492 9.4624 TIMING: 2622200 CPU: 7821.39, 0.00295813/step Wall: 7821.39, 0.00295813/step, 1.95385 hours remaining, 207.949219 MB of memory in use. ENERGY: 2622200 719.4029 2153.1270 1932.5066 106.5451 -206142.5068 17797.5895 0.0000 0.0000 34058.1680 -149375.1676 297.4385 -183433.3356 -149275.0817 298.1551 35.3351 67.9476 557574.9353 18.1287 18.0610 PRESSURE: 2622400 80.368 87.5257 -109.062 87.5235 6.45211 -134.469 -109.061 -134.469 -150.712 GPRESSURE: 2622400 137.445 30.5272 16.9695 72.2029 19.7103 -123.134 -162.55 -157.97 -121.48 PRESSAVG: 2622400 29.2514 56.7833 -28.6375 56.7833 4.08227 -11.1232 -28.6375 -11.1231 -11.4795 GPRESSAVG: 2622400 28.8019 54.3115 -28.6415 58.8712 3.27904 -12.1624 -27.9646 -11.0039 -11.0883 TIMING: 2622400 CPU: 7821.98, 0.0029436/step Wall: 7821.98, 0.0029436/step, 1.94409 hours remaining, 207.949219 MB of memory in use. ENERGY: 2622400 750.4234 2072.7317 1948.3208 127.3807 -206673.1434 17834.1757 0.0000 0.0000 34552.7955 -149387.3156 301.7582 -183940.1111 -149293.7835 299.3718 -21.2972 11.8916 556561.9958 7.2847 6.9976 PRESSURE: 2622600 -389.2 143.816 -51.9053 143.817 -251.23 54.2007 -51.9054 54.201 -190.196 GPRESSURE: 2622600 -346.202 95.4507 -18.9695 129.057 -271.715 122.442 -49.5646 -69.0038 -120.912 PRESSAVG: 2622600 -4.54626 40.6546 20.6933 40.6546 -33.0113 -6.4653 20.6932 -6.4654 16.7833 GPRESSAVG: 2622600 -4.76658 42.1837 20.3541 39.4923 -33.4853 -2.33148 21.1878 -7.19193 17.3571 TIMING: 2622600 CPU: 7822.57, 0.00294695/step Wall: 7822.57, 0.00294695/step, 1.94613 hours remaining, 207.949219 MB of memory in use. ENERGY: 2622600 745.7554 2091.9559 1928.8160 117.0410 -206012.9338 17519.7352 0.0000 0.0000 34201.1037 -149408.5265 298.6867 -183609.6302 -149311.7553 299.2411 -276.8754 -246.2763 558259.8273 -6.9247 -6.9649 PRESSURE: 2622800 -149.872 -40.9354 -89.7115 -40.9348 -287.658 -28.0444 -89.71 -28.0455 -152.855 GPRESSURE: 2622800 -140.956 -6.90667 -56.6778 -37.9342 -192.216 -32.0502 -71.1598 20.5647 -161.695 PRESSAVG: 2622800 21.7384 19.828 -46.8136 19.8279 10.9643 -7.14585 -46.8135 -7.14583 11.9255 GPRESSAVG: 2622800 23.7723 18.9633 -47.3745 18.9377 11.4002 -8.00707 -48.0455 -7.26307 10.0275 TIMING: 2622800 CPU: 7823.16, 0.00294033/step Wall: 7823.16, 0.00294033/step, 1.9416 hours remaining, 207.949219 MB of memory in use. ENERGY: 2622800 730.5457 2051.9396 1914.0961 114.4996 -205962.3891 17492.0297 0.0000 0.0000 34338.4270 -149320.8515 299.8860 -183659.2785 -149225.6171 299.2470 -196.7951 -164.9559 556817.1253 14.8761 15.0667 PRESSURE: 2623000 -127.521 93.5363 -142.652 93.5384 -4.17469 -173.263 -142.652 -173.263 112.641 GPRESSURE: 2623000 -95.7398 74.1128 -129.434 120.108 55.2931 -239.921 -91.5344 -103.844 132.188 PRESSAVG: 2623000 51.1415 1.0014 7.19337 1.00132 -22.1806 -7.82471 7.19338 -7.82474 15.4905 GPRESSAVG: 2623000 49.6637 3.08605 8.18861 3.48934 -21.6436 -8.23328 6.8281 -8.39281 16.506 TIMING: 2623000 CPU: 7823.75, 0.00294098/step Wall: 7823.75, 0.00294098/step, 1.94186 hours remaining, 207.949219 MB of memory in use. ENERGY: 2623000 764.9076 2084.9006 1917.8929 116.5276 -206519.8294 17994.5520 0.0000 0.0000 34269.5399 -149371.5087 299.2844 -183641.0486 -149270.9972 298.3375 -6.3515 30.5805 557367.6303 14.8171 14.8420 PRESSURE: 2623200 -175.68 -10.3837 109.849 -10.3836 21.976 88.1413 109.849 88.1422 -152.117 GPRESSURE: 2623200 -150.222 -56.7452 153.555 32.9218 21.3518 86.319 110.492 46.8193 -77.7055 PRESSAVG: 2623200 27.4924 49.6981 33.9098 49.6981 -51.3916 15.1953 33.9097 15.1952 9.79625 GPRESSAVG: 2623200 27.4197 48.1683 33.3723 48.3836 -51.5746 14.8579 33.3693 15.6429 9.95364 TIMING: 2623200 CPU: 7824.34, 0.00294903/step Wall: 7824.34, 0.00294903/step, 1.94702 hours remaining, 207.949219 MB of memory in use. ENERGY: 2623200 755.7100 2104.3308 1927.9937 115.6127 -206368.3641 17880.4058 0.0000 0.0000 34026.3712 -149557.9399 297.1608 -183584.3111 -149460.1912 298.1126 -101.9402 -68.8585 558786.8231 -4.7010 -4.7337 PRESSURE: 2623400 430.026 70.8611 -97.9831 70.8599 -252.124 228.543 -97.9833 228.542 157.278 GPRESSURE: 2623400 453.709 122.525 -73.9305 80.0571 -239.66 148.488 -52.6775 212.694 226.89 PRESSAVG: 2623400 -3.28489 2.63998 -5.44456 2.63996 0.947606 33.8723 -5.4445 33.8724 2.14005 GPRESSAVG: 2623400 -3.52605 3.1154 -4.82971 2.35998 0.490986 34.0462 -5.24675 34.7875 2.61246 TIMING: 2623400 CPU: 7824.93, 0.00294841/step Wall: 7824.93, 0.00294841/step, 1.94644 hours remaining, 207.949219 MB of memory in use. ENERGY: 2623400 760.2682 2136.8291 1948.4547 96.5532 -206649.4151 18063.2741 0.0000 0.0000 34246.5350 -149397.5008 299.0835 -183644.0358 -149303.6139 298.3894 111.7266 146.9794 557753.7453 -0.0657 -0.1409 PRESSURE: 2623600 291.836 171.418 -22.4258 171.418 -282.362 -197.874 -22.4261 -197.874 -101.743 GPRESSURE: 2623600 268.997 24.8535 -29.4146 223.724 -209.866 -187.169 -8.24017 -255.689 -61.8385 PRESSAVG: 2623600 9.29043 6.73227 -34.2755 6.7322 29.2345 -46.9964 -34.2755 -46.9965 -54.0293 GPRESSAVG: 2623600 9.84346 4.24688 -33.0087 9.47343 29.9449 -49.1219 -36.0006 -46.6275 -54.5444 TIMING: 2623600 CPU: 7825.52, 0.00294972/step Wall: 7825.52, 0.00294972/step, 1.94714 hours remaining, 207.949219 MB of memory in use. ENERGY: 2623600 730.0469 2119.8677 1945.5180 109.6816 -206569.4104 18024.6362 0.0000 0.0000 33970.0147 -149669.6452 296.6686 -183639.6599 -149581.9662 298.7705 -30.7563 -0.9026 558168.7606 -5.1681 -4.9187 PRESSURE: 2623800 39.904 -13.1688 -35.9646 -13.1695 -8.51435 -100.143 -35.9655 -100.144 -55.039 GPRESSURE: 2623800 75.6911 -84.8654 32.1442 30.8704 69.8935 -104.017 71.5076 -133.911 -70.7641 PRESSAVG: 2623800 2.81889 7.16707 58.3604 7.1671 50.8833 -69.2283 58.3603 -69.2283 -98.7574 GPRESSAVG: 2623800 2.80088 8.57467 57.7693 5.05217 49.6747 -66.8824 60.6552 -71.3281 -97.3793 TIMING: 2623800 CPU: 7826.11, 0.00296641/step Wall: 7826.11, 0.00296641/step, 1.958 hours remaining, 207.949219 MB of memory in use. ENERGY: 2623800 709.2196 2118.3861 1933.3251 126.5354 -206662.9032 17846.8359 0.0000 0.0000 34225.6508 -149702.9505 298.9011 -183928.6012 -149598.6774 297.4304 -7.8831 24.9402 558135.4568 -15.0184 -14.9679 PRESSURE: 2624000 -35.9144 80.7763 70.9672 80.7767 -144.464 80.5734 70.968 80.5731 -261.08 GPRESSURE: 2624000 -44.3752 134.926 12.3415 36.6278 -74.7874 60.5022 92.6292 74.2867 -209.275 PRESSAVG: 2624000 37.8455 49.8588 14.8402 49.8588 -36.184 -22.0644 14.8401 -22.0644 -18.9335 GPRESSAVG: 2624000 37.0984 49.9963 12.3095 49.8299 -34.3109 -22.7181 14.7288 -19.2463 -20.1621 TIMING: 2624000 CPU: 7826.7, 0.00295172/step Wall: 7826.7, 0.00295172/step, 1.94814 hours remaining, 207.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2624000 741.4434 2104.1060 1932.3212 106.4891 -206098.9519 17560.8637 0.0000 0.0000 34067.1557 -149586.5728 297.5169 -183653.7285 -149494.7890 298.1359 -147.1527 -109.4792 557827.2132 -5.7573 -5.7915 PRESSURE: 2624200 -164.79 47.8993 -75.7294 47.8988 -168.796 -5.78252 -75.7288 -5.78295 -200.828 GPRESSURE: 2624200 -176.451 87.6328 -148.804 34.9965 -90.7047 -69.1379 -76.3927 -3.88436 -180.944 PRESSAVG: 2624200 31.3783 71.4016 -9.72597 71.4016 -37.8158 14.6764 -9.72599 14.6764 -45.958 GPRESSAVG: 2624200 30.414 71.2856 -7.38629 71.4883 -38.0311 15.0424 -9.93248 13.4553 -45.0687 TIMING: 2624200 CPU: 7827.3, 0.00296791/step Wall: 7827.3, 0.00296791/step, 1.95865 hours remaining, 207.949219 MB of memory in use. ENERGY: 2624200 732.5979 2077.0913 1938.0621 100.7986 -206400.3066 17834.6026 0.0000 0.0000 34034.5773 -149682.5768 297.2324 -183717.1541 -149580.6054 297.8489 -178.1381 -149.3667 560128.0736 -17.4652 -17.5619 LDB: ============= START OF LOAD BALANCING ============== 7830.84 LDB: ============== END OF LOAD BALANCING =============== 7830.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7830.85 LDB: ============= START OF LOAD BALANCING ============== 7831.14 LDB: Largest compute 4773 load 0.026867 is 22.7% of average load 0.118266 LDB: Average compute 0.001740 is 1.5% of average load 0.118266 LDB: TIME 7831.15 LOAD: AVG 0.118266 MAX 0.204184 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 7831.15 LOAD: AVG 0.118266 MAX 0.204184 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: TIME 7831.15 LOAD: AVG 0.118266 MAX 0.204184 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: ============== END OF LOAD BALANCING =============== 7831.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7831.15 PRESSURE: 2624400 -63.2048 81.4181 -28.7228 81.4163 77.5815 51.3178 -28.7233 51.3189 67.4504 GPRESSURE: 2624400 14.3958 166.565 -77.772 16.3638 81.3248 43.7537 118.554 11.388 85.6572 PRESSAVG: 2624400 16.0031 15.1881 47.3757 15.1881 35.7612 24.1591 47.3756 24.1591 -29.6123 GPRESSAVG: 2624400 18.1562 14.5105 47.8388 14.8593 35.7931 24.0445 46.6612 24.8544 -31.2812 TIMING: 2624400 CPU: 7827.9, 0.00303217/step Wall: 7827.9, 0.00303217/step, 2.0009 hours remaining, 206.718750 MB of memory in use. ENERGY: 2624400 761.5838 2042.0202 1941.6479 113.5811 -206849.6481 18140.4744 0.0000 0.0000 34205.3006 -149645.0402 298.7234 -183850.3408 -149549.7093 297.2476 27.2757 60.4593 557658.4690 7.3840 7.5560 PRESSURE: 2624600 -65.7559 -6.77396 23.6577 -6.77427 -160.826 58.7479 23.6564 58.7486 24.5555 GPRESSURE: 2624600 -37.5706 -4.5313 -9.39648 -64.7183 -120.669 67.8773 9.71102 110.331 49.8329 PRESSAVG: 2624600 -20.1793 -3.73494 -19.7269 -3.73498 -1.23532 36.5369 -19.727 36.5369 41.3669 GPRESSAVG: 2624600 -21.5577 -3.48506 -21.4284 -3.65348 -0.799968 34.7764 -18.6125 35.4881 42.2799 TIMING: 2624600 CPU: 7828.5, 0.00297294/step Wall: 7828.5, 0.00297294/step, 1.96164 hours remaining, 206.718750 MB of memory in use. ENERGY: 2624600 723.0149 2052.6721 1964.0351 124.9903 -206683.6989 17935.3593 0.0000 0.0000 34172.4466 -149711.1806 298.4365 -183883.6272 -149614.1695 298.3156 -67.3420 -36.1357 557125.4655 6.6508 6.6408 PRESSURE: 2624800 -212.244 -86.288 -241.812 -86.2873 -197.226 -31.7608 -241.812 -31.7608 -56.922 GPRESSURE: 2624800 -171.863 -141.488 -234.353 -1.10662 -184.448 -79.6164 -258.573 -23.407 -14.2057 PRESSAVG: 2624800 40.193 -38.0933 -31.1433 -38.0932 -64.8838 14.4305 -31.1434 14.4305 20.1788 GPRESSAVG: 2624800 40.5823 -38.3722 -29.9708 -35.2299 -65.2178 15.5273 -31.7212 14.0075 19.8864 TIMING: 2624800 CPU: 7829.09, 0.0029426/step Wall: 7829.09, 0.0029426/step, 1.94146 hours remaining, 206.718750 MB of memory in use. ENERGY: 2624800 752.9361 2087.3591 1937.1433 104.5688 -206248.5833 17592.8018 0.0000 0.0000 34203.0010 -149570.7733 298.7033 -183773.7743 -149477.3328 298.2246 -155.4642 -123.5057 556800.6751 -1.5040 -1.5830 PRESSURE: 2625000 -25.7999 70.6923 -20.4399 70.6914 -123.757 -13.9468 -20.4397 -13.9467 -24.9999 GPRESSURE: 2625000 -8.41261 45.5722 -9.20438 67.4274 -80.3848 66.5475 24.8705 -28.3383 18.1059 PRESSAVG: 2625000 -3.26674 -20.1107 -72.1319 -20.1107 -26.5509 22.8194 -72.1318 22.8195 19.6214 GPRESSAVG: 2625000 -3.00087 -19.5449 -72.4513 -25.2042 -27.9392 23.1762 -72.3752 23.6952 20.169 TIMING: 2625000 CPU: 7829.68, 0.00295929/step Wall: 7829.68, 0.00295929/step, 1.95231 hours remaining, 206.718750 MB of memory in use. ENERGY: 2625000 745.9974 2050.5706 1920.5303 105.6596 -206527.9192 17768.2062 0.0000 0.0000 34325.7536 -149611.2016 299.7753 -183936.9551 -149512.3578 298.2667 -58.1855 -23.5638 556567.6317 -3.3988 -3.5904 PRESSURE: 2625200 42.7831 -70.5988 113.312 -70.5986 110.672 -196.973 113.312 -196.972 56.0278 GPRESSURE: 2625200 23.8891 -119.02 153.438 -49.1277 146.157 -153.749 94.5748 -180.806 127.943 PRESSAVG: 2625200 -12.4759 26.2773 -67.4772 26.2773 5.02922 -2.87589 -67.4772 -2.87589 17.2956 GPRESSAVG: 2625200 -13.6901 25.6843 -67.6717 27.6309 5.8915 -3.13551 -68.4505 -3.13278 17.4956 TIMING: 2625200 CPU: 7830.27, 0.00294587/step Wall: 7830.27, 0.00294586/step, 1.94329 hours remaining, 206.718750 MB of memory in use. ENERGY: 2625200 730.5806 2128.1393 1941.7060 116.3561 -206425.7042 17939.3074 0.0000 0.0000 34117.3204 -149452.2943 297.9550 -183569.6147 -149351.7491 297.9033 69.8275 99.3295 556597.3944 3.2830 3.2323 PRESSURE: 2625400 352.319 -88.6621 41.6482 -88.6612 301.39 -101.343 41.6482 -101.343 277.875 GPRESSURE: 2625400 347.702 -143.901 -8.04564 -82.972 364.492 -79.207 31.6567 -28.8034 310.507 PRESSAVG: 2625400 -27.3583 7.5778 -12.5291 7.57786 -7.24056 -25.0366 -12.529 -25.0368 41.05 GPRESSAVG: 2625400 -26.5834 7.95335 -12.6715 9.88711 -6.78482 -23.6615 -9.63058 -25.2396 40.425 TIMING: 2625400 CPU: 7830.86, 0.0029592/step Wall: 7830.86, 0.0029592/step, 1.95192 hours remaining, 206.718750 MB of memory in use. ENERGY: 2625400 736.7260 2089.5229 1922.5953 123.7936 -206495.6514 18186.2467 0.0000 0.0000 34053.1069 -149383.6602 297.3943 -183436.7671 -149284.0095 298.4240 310.5279 340.9003 555573.5120 2.1504 2.3523 PRESSURE: 2625600 -23.2532 63.8384 -14.1157 63.8377 69.2992 -78.2187 -14.115 -78.2199 -90.9229 GPRESSURE: 2625600 11.738 189.773 -61.7155 -67.8397 102.148 -128.383 5.75738 7.09325 -65.0813 PRESSAVG: 2625600 -4.04802 -20.4289 -7.38882 -20.4287 25.7344 -56.5826 -7.38877 -56.5826 -48.9341 GPRESSAVG: 2625600 -3.83868 -18.3225 -4.65161 -23.9872 24.9229 -59.1195 -8.89775 -56.2091 -48.8414 TIMING: 2625600 CPU: 7831.45, 0.00294751/step Wall: 7831.45, 0.00294751/step, 1.94404 hours remaining, 206.718750 MB of memory in use. ENERGY: 2625600 731.8698 2104.8806 1920.0921 119.3496 -206652.2164 17828.8713 0.0000 0.0000 34504.7050 -149442.4482 301.3382 -183947.1531 -149348.2140 298.9582 -14.9590 16.2681 555844.1870 -9.0826 -9.2524 PRESSURE: 2625800 -142.78 102.792 -1.06243 102.792 -94.8193 66.7933 -1.06195 66.7948 -109.486 GPRESSURE: 2625800 -179.122 -3.14379 3.33283 193.543 -36.8317 84.6102 -8.68617 78.8992 -42.8018 PRESSAVG: 2625800 14.7694 -13.2716 42.3949 -13.2716 49.014 -9.26412 42.3949 -9.26413 -40.2776 GPRESSAVG: 2625800 15.7057 -15.002 40.7453 -10.8529 49.9781 -6.26205 40.3991 -10.149 -42.0282 TIMING: 2625800 CPU: 7832.04, 0.00297607/step Wall: 7832.04, 0.00297607/step, 1.96272 hours remaining, 206.718750 MB of memory in use. ENERGY: 2625800 736.0603 2043.3413 1937.8490 107.9555 -206223.3057 17584.4932 0.0000 0.0000 34403.7985 -149409.8079 300.4569 -183813.6064 -149310.2619 299.0539 -115.6952 -86.2520 556878.0840 7.8353 7.8852 PRESSURE: 2626000 -158.623 -102.156 29.6431 -102.156 66.5011 -23.8801 29.6426 -23.8802 148.835 GPRESSURE: 2626000 -120.877 -131.806 0.774314 -140.849 139.517 55.4613 1.41208 -50.9164 134.016 PRESSAVG: 2626000 -29.2474 -8.9843 29.6523 -8.98436 6.76451 -17.3026 29.6523 -17.3026 8.33742 GPRESSAVG: 2626000 -31.2343 -9.58925 28.3126 -10.321 6.2945 -19.4616 31.9667 -18.4106 10.9906 TIMING: 2626000 CPU: 7832.64, 0.0029808/step Wall: 7832.64, 0.0029808/step, 1.96567 hours remaining, 206.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2626000 786.2531 2072.2645 1918.3803 116.8378 -206354.7630 17893.0003 0.0000 0.0000 34175.8640 -149392.1630 298.4663 -183568.0270 -149297.0120 299.1694 18.9043 50.8855 556989.8437 -4.7151 -4.6498 PRESSURE: 2626200 -145.146 -70.949 -131.412 -70.9499 -328.079 -145.003 -131.412 -145.005 -302.172 GPRESSURE: 2626200 -92.3816 -23.6085 -51.1916 -132.764 -330.982 -66.5813 -28.9743 -116.114 -246.851 PRESSAVG: 2626200 -3.1643 -29.1417 -8.87228 -29.1416 -55.8668 -4.12399 -8.87236 -4.12391 66.5618 GPRESSAVG: 2626200 -1.49885 -28.296 -8.86029 -29.6864 -56.0096 -4.77405 -7.91163 -1.60315 65.2451 TIMING: 2626200 CPU: 7833.23, 0.002948/step Wall: 7833.23, 0.002948/step, 1.94388 hours remaining, 206.718750 MB of memory in use. ENERGY: 2626200 760.7826 2130.0955 1963.3817 111.6301 -206115.8872 17474.8336 0.0000 0.0000 34256.6787 -149418.4849 299.1721 -183675.1637 -149334.8803 299.1275 -258.4654 -223.4048 557473.1562 2.5102 2.5789 PRESSURE: 2626400 -43.3692 -47.3687 184.506 -47.3693 118.162 -188.993 184.506 -188.993 -114.566 GPRESSURE: 2626400 -6.66275 -26.6296 158.453 -40.7341 144.483 -130.845 167.838 -231.175 -73.7967 PRESSAVG: 2626400 31.0493 -60.688 -1.70886 -60.6879 -43.9284 -31.7124 -1.70871 -31.7123 -0.00779668 GPRESSAVG: 2626400 29.4071 -60.7528 -1.71782 -59.6384 -42.131 -32.4492 -2.48939 -29.7961 -0.224073 TIMING: 2626400 CPU: 7833.82, 0.00294083/step Wall: 7833.82, 0.00294083/step, 1.93899 hours remaining, 206.718750 MB of memory in use. ENERGY: 2626400 747.8680 2067.5053 1944.0780 118.3498 -206561.8886 17913.7564 0.0000 0.0000 34300.7521 -149469.5789 299.5570 -183770.3311 -149369.5728 299.5149 -13.2577 21.3413 557142.2096 -4.2957 -4.3160 PRESSURE: 2626600 23.959 186.871 -173.759 186.871 58.4599 117.65 -173.76 117.651 51.347 GPRESSURE: 2626600 86.3483 182.702 -150.343 233.281 110.866 56.892 -229.469 78.14 32.8085 PRESSAVG: 2626600 -33.5223 15.1811 -28.5027 15.1812 48.6099 -83.0785 -28.5026 -83.0784 -31.3098 GPRESSAVG: 2626600 -32.3898 16.1386 -28.71 14.6785 46.0545 -84.1878 -28.8165 -85.0127 -30.7553 TIMING: 2626600 CPU: 7834.41, 0.00295019/step Wall: 7834.41, 0.00295019/step, 1.945 hours remaining, 206.718750 MB of memory in use. ENERGY: 2626600 740.3068 2096.7171 1955.9064 113.2343 -206323.2843 17821.2323 0.0000 0.0000 34084.7924 -149511.0950 297.6710 -183595.8874 -149416.6629 298.6149 44.5886 76.6743 557709.1478 -5.4074 -5.6969 PRESSURE: 2626800 -70.7709 -39.4583 -23.0218 -39.457 -340.877 58.7586 -23.0211 58.7579 -258.381 GPRESSURE: 2626800 -91.1997 -62.4228 49.6495 -10.9053 -232.465 45.4712 -77.0152 96.0086 -255.783 PRESSAVG: 2626800 11.1219 10.1835 -36.0709 10.1834 40.1179 -0.504152 -36.071 -0.504223 -51.3685 GPRESSAVG: 2626800 10.6234 10.8897 -33.1802 11.3406 39.9131 2.02982 -38.4027 -0.443354 -50.9424 TIMING: 2626800 CPU: 7835, 0.00296479/step Wall: 7835, 0.00296479/step, 1.95446 hours remaining, 206.718750 MB of memory in use. ENERGY: 2626800 760.7017 2102.0856 1941.3155 117.7113 -205949.2784 17472.1837 0.0000 0.0000 34104.9821 -149450.2985 297.8473 -183555.2806 -149363.2393 298.4581 -223.3427 -193.1492 557602.5046 -0.0429 -0.1353 PRESSURE: 2627000 52.1036 -102.662 7.5495 -102.661 226.911 211.237 7.54906 211.238 150.411 GPRESSURE: 2627000 88.7824 -73.1843 1.11938 -133.091 245.204 255.017 -42.6888 188.439 202.501 PRESSAVG: 2627000 -10.8839 -87.3114 38.509 -87.3114 -12.7751 34.0399 38.509 34.0397 10.5636 GPRESSAVG: 2627000 -12.0679 -87.199 36.7678 -88.5048 -11.3298 35.2417 40.4509 33.345 10.6247 TIMING: 2627000 CPU: 7835.59, 0.00295559/step Wall: 7835.59, 0.00295559/step, 1.94822 hours remaining, 206.718750 MB of memory in use. ENERGY: 2627000 697.5611 2068.3677 1935.4417 117.1638 -206518.9658 17975.9339 0.0000 0.0000 34254.2571 -149470.2405 299.1509 -183724.4976 -149365.6823 299.0975 143.1418 178.8291 556838.7120 -4.3651 -4.2577 PRESSURE: 2627200 -204.21 0.896161 -39.9547 0.896494 74.3791 25.106 -39.9554 25.1051 -265.985 GPRESSURE: 2627200 -115.821 -4.43679 -2.47761 -12.5384 81.9302 -12.5868 1.38084 -13.8169 -255.711 PRESSAVG: 2627200 10.8447 3.65882 84.8589 3.65888 3.28803 23.0482 84.8589 23.0481 -30.3997 GPRESSAVG: 2627200 13.6456 2.03538 84.9281 3.35942 1.31618 23.596 84.2117 23.0384 -31.0237 TIMING: 2627200 CPU: 7836.18, 0.00296338/step Wall: 7836.18, 0.00296338/step, 1.9532 hours remaining, 206.718750 MB of memory in use. ENERGY: 2627200 746.0678 2046.2554 1922.5588 105.6768 -205779.0147 17498.0944 0.0000 0.0000 34183.8567 -149276.5048 298.5361 -183460.3614 -149174.4861 298.7754 -131.9385 -96.5340 557023.9606 -5.4223 -5.3540 PRESSURE: 2627400 -64.0068 -113.14 37.3917 -113.141 213.514 -75.4564 37.393 -75.4542 8.04161 GPRESSURE: 2627400 9.61947 -163.275 38.3036 -84.2718 229.168 -104.531 159.645 69.4676 14.7225 PRESSAVG: 2627400 66.3077 14.72 0.0145289 14.72 -14.531 -32.3857 0.0144631 -32.3856 22.8442 GPRESSAVG: 2627400 65.2578 14.9614 0.197158 14.998 -12.5969 -34.2066 0.120554 -31.4227 21.9999 TIMING: 2627400 CPU: 7836.78, 0.00300416/step Wall: 7836.78, 0.00300416/step, 1.97991 hours remaining, 206.718750 MB of memory in use. ENERGY: 2627400 721.0703 2100.9730 1927.0380 104.9302 -206140.1517 17722.0126 0.0000 0.0000 34213.8243 -149350.3033 298.7978 -183564.1276 -149253.4595 298.8269 52.5161 84.5032 559096.1895 24.8736 24.8869 PRESSURE: 2627600 82.2587 27.3471 35.9715 27.3473 -33.3956 53.3398 35.9719 53.3407 32.6388 GPRESSURE: 2627600 125.468 7.63242 85.507 -9.01092 -0.697369 60.9004 83.5086 -20.8121 54.4393 PRESSAVG: 2627600 -5.6782 -24.4404 31.0998 -24.4404 28.8893 8.77759 31.0999 8.77764 -0.161779 GPRESSAVG: 2627600 -6.40249 -25.6949 30.899 -22.7096 29.3662 8.63106 31.7548 8.61699 -0.0505973 TIMING: 2627600 CPU: 7837.39, 0.00302431/step Wall: 7837.39, 0.00302431/step, 1.99302 hours remaining, 206.718750 MB of memory in use. ENERGY: 2627600 737.1689 2082.1914 1941.5803 103.0704 -206276.9858 17918.7294 0.0000 0.0000 34202.4657 -149291.7796 298.6986 -183494.2454 -149197.4420 298.8403 27.1673 59.7367 558088.7691 7.6831 7.6377 PRESSURE: 2627800 136.619 56.9087 35.3694 56.9092 168.721 -84.6242 35.3703 -84.6247 16.131 GPRESSURE: 2627800 119.551 63.5291 2.8661 44.0505 255.932 -54.24 -32.7971 -84.2498 43.6986 PRESSAVG: 2627800 64.1275 -36.7428 -54.3865 -36.7427 -30.8954 -39.5934 -54.3865 -39.5935 -51.5223 GPRESSAVG: 2627800 64.0844 -35.0444 -53.9714 -38.4447 -31.8335 -39.135 -55.4814 -40.9962 -50.9821 TIMING: 2627800 CPU: 7837.98, 0.00297052/step Wall: 7837.98, 0.00297052/step, 1.95741 hours remaining, 206.718750 MB of memory in use. ENERGY: 2627800 774.4777 2039.1830 1931.3104 129.2019 -206517.0023 18041.5435 0.0000 0.0000 34251.3601 -149349.9257 299.1256 -183601.2858 -149256.1154 298.9052 107.1570 139.7271 556296.0936 -6.0967 -6.2438 PRESSURE: 2628000 -203.361 -138.247 13.4136 -138.247 61.916 24.5031 13.4142 24.5042 -338.397 GPRESSURE: 2628000 -164.191 -130.592 28.1887 -152.443 121.224 3.03175 -22.0169 80.1615 -333.982 PRESSAVG: 2628000 4.54073 -23.5241 -4.83777 -23.524 -8.99665 12.7325 -4.83773 12.7324 -9.06621 GPRESSAVG: 2628000 5.11378 -26.5891 -5.48757 -20.8388 -8.55878 13.0423 -3.70376 12.0265 -9.83795 TIMING: 2628000 CPU: 7838.58, 0.00297254/step Wall: 7838.58, 0.00297254/step, 1.95858 hours remaining, 206.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2628000 758.5133 2102.0938 1899.0090 108.6641 -206198.6605 17604.7973 0.0000 0.0000 34389.7197 -149335.8633 300.3340 -183725.5830 -149235.5653 298.6251 -159.9472 -125.6499 557668.6679 -4.5074 -4.4276 PRESSURE: 2628200 -62.2804 41.6585 86.5963 41.6577 60.4769 -185.559 86.5959 -185.557 -56.8954 GPRESSURE: 2628200 -56.5571 58.285 168.653 -32.6315 108.62 -177.257 5.86286 -113.142 -15.6579 PRESSAVG: 2628200 4.84684 -48.3199 -26.9747 -48.32 23.6958 -26.8809 -26.9748 -26.8809 -11.5038 GPRESSAVG: 2628200 5.03497 -45.6284 -24.9281 -49.7752 23.6421 -27.3588 -28.9677 -26.2861 -11.7313 TIMING: 2628200 CPU: 7839.17, 0.00297346/step Wall: 7839.17, 0.00297346/step, 1.95902 hours remaining, 206.718750 MB of memory in use. ENERGY: 2628200 775.1581 2059.3640 1927.7625 108.6137 -206056.2315 17725.4510 0.0000 0.0000 34002.1340 -149457.7482 296.9491 -183459.8822 -149360.1309 298.9973 -19.5663 12.1350 556636.3965 5.6796 5.6486 LDB: ============= START OF LOAD BALANCING ============== 7842.72 LDB: ============== END OF LOAD BALANCING =============== 7842.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7842.72 LDB: ============= START OF LOAD BALANCING ============== 7843.02 LDB: Largest compute 4773 load 0.027691 is 23.4% of average load 0.118281 LDB: Average compute 0.001738 is 1.5% of average load 0.118281 LDB: TIME 7843.02 LOAD: AVG 0.118281 MAX 0.199685 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.031 MB LDB: TIME 7843.02 LOAD: AVG 0.118281 MAX 0.199685 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.035 MB LDB: TIME 7843.02 LOAD: AVG 0.118281 MAX 0.199685 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.035 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7843.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7843.03 PRESSURE: 2628400 217.121 -54.7953 16.587 -54.7967 141.926 8.18879 16.586 8.1889 265.481 GPRESSURE: 2628400 290.382 -21.7978 -32.2977 -85.1079 145.385 -48.2299 87.2133 7.39806 293.61 PRESSAVG: 2628400 31.7662 1.45291 47.0148 1.45297 -29.6507 -17.3975 47.0147 -17.3975 1.71532 GPRESSAVG: 2628400 31.8963 2.5474 45.0982 0.553404 -29.6643 -18.5938 48.3836 -16.2882 2.25968 TIMING: 2628400 CPU: 7839.78, 0.00301675/step Wall: 7839.78, 0.00301675/step, 1.98737 hours remaining, 207.175781 MB of memory in use. ENERGY: 2628400 720.2381 2074.8594 1937.1857 107.3861 -206466.3623 18036.2490 0.0000 0.0000 34141.2377 -149449.2063 298.1639 -183590.4440 -149348.7163 298.6696 208.1759 243.1260 556069.0584 1.2770 1.4972 PRESSURE: 2628600 -32.379 -10.7921 22.1798 -10.7923 -63.0949 124.867 22.1792 124.869 -232.823 GPRESSURE: 2628600 -38.7182 -44.3239 25.7799 77.3093 44.9517 87.6474 4.94483 79.9721 -247.716 PRESSAVG: 2628600 30.9819 14.7894 -2.45713 14.7894 -16.9727 42.7223 -2.4571 42.7223 14.2782 GPRESSAVG: 2628600 30.8798 12.8323 -3.15765 16.2231 -15.6673 44.0332 -4.45102 43.3074 13.0646 TIMING: 2628600 CPU: 7840.37, 0.00294837/step Wall: 7840.37, 0.00294837/step, 1.94216 hours remaining, 207.378906 MB of memory in use. ENERGY: 2628600 731.4074 2067.1088 1902.2762 104.4404 -206374.3774 17759.3782 0.0000 0.0000 34335.2735 -149474.4929 299.8585 -183809.7664 -149377.9558 298.7696 -109.4323 -80.4941 556716.3447 9.4291 9.4257 PRESSURE: 2628800 72.2263 37.6856 109.309 37.6849 -33.8421 -33.8592 109.308 -33.8583 73.1182 GPRESSURE: 2628800 37.4318 98.6243 106.923 82.4789 -15.9445 35.4897 142.321 -127.723 177.638 PRESSAVG: 2628800 -51.7585 64.3919 15.0792 64.392 59.6427 8.54719 15.0792 8.54718 -12.0377 GPRESSAVG: 2628800 -51.5584 63.7818 16.8151 63.4339 59.1287 7.79562 15.5638 8.08367 -11.569 TIMING: 2628800 CPU: 7840.96, 0.00296604/step Wall: 7840.96, 0.00296604/step, 1.95363 hours remaining, 207.378906 MB of memory in use. ENERGY: 2628800 748.2144 2083.8977 1930.2684 111.6843 -206606.9961 17942.5470 0.0000 0.0000 34080.7494 -149709.6348 297.6357 -183790.3843 -149619.7866 298.3448 37.1675 66.3751 556537.7509 -1.3845 -1.3329 PRESSURE: 2629000 -63.6877 3.51196 51.9952 3.51174 -416.253 44.9187 51.9947 44.9196 -421.91 GPRESSURE: 2629000 -92.3539 -12.7105 20.5576 -77.9385 -352.626 31.3744 17.36 69.2727 -359.377 PRESSAVG: 2629000 -0.45476 -11.5525 -35.9491 -11.5525 -7.80621 -56.7598 -35.9491 -56.7597 3.29117 GPRESSAVG: 2629000 0.116114 -11.9822 -35.7168 -11.058 -9.05439 -54.1551 -34.5452 -59.0029 4.20792 TIMING: 2629000 CPU: 7841.55, 0.00297501/step Wall: 7841.55, 0.00297501/step, 1.95938 hours remaining, 207.437500 MB of memory in use. ENERGY: 2629000 732.6082 2003.9393 1963.5026 124.4873 -206195.1931 17484.6728 0.0000 0.0000 34225.0131 -149660.9698 298.8956 -183885.9829 -149562.3171 298.0529 -300.6169 -268.1190 557576.0268 -1.6566 -1.5768 PRESSURE: 2629200 46.7027 -144.929 55.6686 -144.929 -61.9 -98.8179 55.6678 -98.8186 -105.084 GPRESSURE: 2629200 69.1533 -95.5474 -33.3285 -171.876 -30.4752 -99.1327 149.748 -98.8701 -69.753 PRESSAVG: 2629200 79.2382 4.45834 7.56398 4.45843 -4.99946 -34.3965 7.56407 -34.3964 -51.1139 GPRESSAVG: 2629200 77.8411 6.16719 7.54628 4.571 -3.47089 -33.1603 4.96936 -34.0305 -51.8853 TIMING: 2629200 CPU: 7842.15, 0.00295614/step Wall: 7842.15, 0.00295614/step, 1.94678 hours remaining, 207.437500 MB of memory in use. ENERGY: 2629200 733.8927 2046.5574 1940.4087 120.7324 -206026.8959 17514.5215 0.0000 0.0000 34174.6417 -149496.1414 298.4556 -183670.7831 -149394.3537 298.3240 -40.0938 -10.3583 556434.9671 7.7083 7.4950 PRESSURE: 2629400 115.966 -36.428 -2.58685 -36.4273 -154.392 118.16 -2.58664 118.163 -78.6299 GPRESSURE: 2629400 133.69 17.7468 -37.6279 -79.4733 -74.994 167.814 -36.2618 64.5457 -71.7027 PRESSAVG: 2629400 18.1587 -47.716 -32.3985 -47.716 1.16041 -51.4646 -32.3985 -51.4645 -44.7599 GPRESSAVG: 2629400 20.7863 -49.5995 -33.3307 -47.8674 -0.349279 -54.1128 -30.9093 -50.4103 -45.6764 TIMING: 2629400 CPU: 7842.74, 0.00297655/step Wall: 7842.74, 0.00297655/step, 1.96006 hours remaining, 207.437500 MB of memory in use. ENERGY: 2629400 754.2914 2060.4846 1931.0809 109.1335 -206222.8431 17700.8914 0.0000 0.0000 34164.0884 -149502.8729 298.3635 -183666.9613 -149408.9491 298.9093 -39.0187 -4.3356 555143.8839 -8.4802 -8.4131 PRESSURE: 2629600 -172.152 40.7692 58.6461 40.7692 -90.8722 -90.3603 58.6459 -90.3606 -70.6379 GPRESSURE: 2629600 -160.67 56.7758 -14.3146 106.005 -82.6615 34.8997 121.46 -148.948 5.67247 PRESSAVG: 2629600 26.7104 17.2355 5.12725 17.2355 -39.7721 -69.4443 5.12726 -69.4443 8.59738 GPRESSAVG: 2629600 23.5998 19.1521 3.86226 18.9824 -38.1058 -69.8075 7.19458 -67.4807 10.1725 TIMING: 2629600 CPU: 7843.33, 0.00296831/step Wall: 7843.33, 0.00296831/step, 1.95446 hours remaining, 207.437500 MB of memory in use. ENERGY: 2629600 759.0209 2085.7832 1920.0378 115.0210 -206341.5813 17702.2161 0.0000 0.0000 34077.6337 -149681.8686 297.6085 -183759.5023 -149587.9295 298.5745 -111.2205 -79.2196 557241.2826 -1.4881 -1.4445 PRESSURE: 2629800 -344.061 59.198 -147.025 59.1979 -92.6131 167.324 -147.026 167.325 14.7164 GPRESSURE: 2629800 -321.951 105.066 -187.101 44.015 -75.6128 226.277 -184.333 88.3908 66.0371 PRESSAVG: 2629800 -30.4036 59.1658 -100.597 59.1656 -38.1158 -11.1179 -100.597 -11.118 43.1194 GPRESSAVG: 2629800 -30.0123 59.0698 -98.6894 57.9208 -38.5568 -9.40745 -100.695 -12.6488 43.2235 TIMING: 2629800 CPU: 7843.93, 0.00297182/step Wall: 7843.93, 0.00297182/step, 1.95662 hours remaining, 207.437500 MB of memory in use. ENERGY: 2629800 715.6614 2115.7772 1925.1517 104.9776 -205817.9194 17641.5317 0.0000 0.0000 33808.8515 -149505.9683 295.2611 -183314.8198 -149413.1336 298.3374 -140.6525 -110.5090 558970.1099 -8.4667 -8.4485 PRESSURE: 2630000 -304.798 83.8047 165.265 83.805 35.6313 56.6461 165.264 56.6462 -246.263 GPRESSURE: 2630000 -195.833 30.546 156.584 112.455 16.7854 4.7278 146.356 63.1718 -248.777 PRESSAVG: 2630000 -80.1439 5.19938 33.6407 5.19945 9.31517 52.8626 33.6407 52.8626 65.2829 GPRESSAVG: 2630000 -79.5436 4.31589 29.7999 6.18827 10.1437 50.7095 35.0789 54.6457 63.7615 TIMING: 2630000 CPU: 7844.52, 0.00296884/step Wall: 7844.52, 0.00296884/step, 1.95449 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2630000 740.4976 2071.5545 1927.0115 111.6686 -206299.2297 17672.0824 0.0000 0.0000 34240.9149 -149535.5002 299.0344 -183776.4152 -149441.7349 298.4709 -171.8100 -142.6082 556929.8454 -1.8486 -1.8795 PRESSURE: 2630200 8.05259 123.815 -154.023 123.814 254.526 -25.1824 -154.023 -25.1837 -212.802 GPRESSURE: 2630200 21.6557 57.313 -105.842 169.378 275.2 28.9879 -136.791 -24.0927 -160.557 PRESSAVG: 2630200 -45.8489 37.9883 -29.4259 37.9883 46.1466 17.3662 -29.426 17.3663 -32.9759 GPRESSAVG: 2630200 -46.6478 39.0268 -27.6824 37.0502 46.2901 18.7456 -29.5121 16.0667 -32.479 TIMING: 2630200 CPU: 7845.12, 0.00298417/step Wall: 7845.12, 0.00298417/step, 1.96441 hours remaining, 207.574219 MB of memory in use. ENERGY: 2630200 727.3826 1997.2650 1942.8364 118.0293 -206216.1768 17879.0787 0.0000 0.0000 33971.4482 -149580.1366 296.6811 -183551.5848 -149489.6134 298.2054 16.5922 45.4330 556045.2436 -10.8927 -10.9456 PRESSURE: 2630400 39.4964 11.7196 54.5396 11.7199 31.7088 14.6108 54.5396 14.6095 -25.8935 GPRESSURE: 2630400 90.5439 -2.73114 52.6445 -30.9761 14.4884 -28.658 -43.3602 -36.1024 42.1781 PRESSAVG: 2630400 -13.7379 32.9095 -5.20102 32.9096 44.7369 10.5461 -5.20102 10.5461 -35.1201 GPRESSAVG: 2630400 -12.92 32.1289 -4.38589 32.3391 44.3829 8.40904 -6.23813 12.3879 -35.7512 TIMING: 2630400 CPU: 7845.71, 0.00295915/step Wall: 7845.71, 0.00295915/step, 1.94778 hours remaining, 207.574219 MB of memory in use. ENERGY: 2630400 769.5157 2000.3772 1948.4114 108.6219 -205904.4375 17734.3747 0.0000 0.0000 34060.2643 -149282.8723 297.4568 -183343.1366 -149186.1962 298.9457 15.1039 49.0701 555536.9280 -1.3737 -1.4294 PRESSURE: 2630600 -92.2248 -5.80541 -140.271 -5.80422 -240.917 -46.0891 -140.271 -46.0884 -242.806 GPRESSURE: 2630600 -73.2205 -20.5274 -137.002 -159.813 -192.202 -29.4994 -101.71 -49.3871 -216.838 PRESSAVG: 2630600 7.29177 12.6122 -24.2603 12.6123 14.9058 -13.5479 -24.2603 -13.5479 -30.758 GPRESSAVG: 2630600 7.94509 13.0805 -23.9825 12.2376 14.4623 -12.0073 -26.1831 -15.4798 -30.1622 TIMING: 2630600 CPU: 7846.31, 0.00301242/step Wall: 7846.31, 0.00301242/step, 1.98267 hours remaining, 207.574219 MB of memory in use. ENERGY: 2630600 746.3562 2093.5605 1932.7457 107.7384 -206107.6003 17655.1448 0.0000 0.0000 34181.3371 -149390.7177 298.5141 -183572.0548 -149291.5641 298.9592 -191.9828 -160.7534 558286.4484 -2.8535 -2.5849 PRESSURE: 2630800 -278.248 -16.1847 -153.144 -16.1836 -98.5124 -39.3715 -153.143 -39.371 -292.731 GPRESSURE: 2630800 -258.138 -57.6904 -128.303 -31.121 -79.7386 -28.942 -100.454 -48.9029 -238.045 PRESSAVG: 2630800 -57.9552 5.892 -49.5616 5.89191 10.4433 2.12672 -49.5615 2.1268 4.44811 GPRESSAVG: 2630800 -57.5219 8.05236 -51.3956 5.97293 11.4172 2.47951 -47.2424 1.59095 3.42152 TIMING: 2630800 CPU: 7846.92, 0.00300846/step Wall: 7846.92, 0.00300846/step, 1.9799 hours remaining, 207.574219 MB of memory in use. ENERGY: 2630800 783.4226 2084.5576 1964.2229 122.8406 -206324.8806 17633.3768 0.0000 0.0000 34201.7589 -149534.7012 298.6925 -183736.4601 -149435.0105 298.7359 -223.1637 -191.9739 557797.6783 -14.3546 -14.2277 PRESSURE: 2631000 -39.8863 -88.8818 31.5577 -88.8816 -12.0192 -65.1843 31.5587 -65.1856 -30.3334 GPRESSURE: 2631000 4.80076 -72.725 14.9835 -1.91681 14.2895 -144.429 62.5986 -26.9352 -10.2036 PRESSAVG: 2631000 -16.7542 2.74492 -24.4169 2.74489 -5.05265 -12.6597 -24.4169 -12.6596 10.1315 GPRESSAVG: 2631000 -15.9232 2.49015 -21.3074 1.67653 -5.28159 -12.6974 -25.0775 -11.3368 10.0233 TIMING: 2631000 CPU: 7847.52, 0.00301205/step Wall: 7847.52, 0.00301205/step, 1.98209 hours remaining, 207.574219 MB of memory in use. ENERGY: 2631000 707.4802 2110.4269 1933.7647 115.2498 -206107.5380 17674.9331 0.0000 0.0000 33960.2306 -149605.4527 296.5831 -183565.6833 -149501.6941 298.1067 -27.4129 2.9622 557001.8561 -3.8918 -3.7272 PRESSURE: 2631200 271.835 -76.2003 -71.7388 -76.2011 -130.642 91.4182 -71.738 91.4188 46.5838 GPRESSURE: 2631200 301.642 -70.5696 -105.98 -46.4239 -128.454 113.665 -61.2852 90.4292 108.969 PRESSAVG: 2631200 24.6893 -59.891 27.1037 -59.8909 9.30907 20.0802 27.1036 20.0803 14.968 GPRESSAVG: 2631200 22.7665 -61.7664 24.5243 -57.9723 9.8175 20.1305 26.9853 19.5301 16.4866 TIMING: 2631200 CPU: 7848.12, 0.00300114/step Wall: 7848.12, 0.00300114/step, 1.97475 hours remaining, 207.574219 MB of memory in use. ENERGY: 2631200 727.6335 2086.1889 1939.2697 128.3759 -206734.7081 18094.5020 0.0000 0.0000 34169.0372 -149589.7009 298.4067 -183758.7380 -149507.5464 298.4307 62.5922 94.0521 556617.5834 16.3221 16.3569 PRESSURE: 2631400 -96.8783 147.925 16.3865 147.925 -159.1 -35.172 16.3871 -35.1731 -229.846 GPRESSURE: 2631400 -67.8447 137.362 140.455 106.846 -110.474 -97.4247 24.3061 -62.0514 -208.877 PRESSAVG: 2631400 12.9353 -20.3288 -0.525118 -20.3288 -41.9182 9.86365 -0.525112 9.86367 32.5731 GPRESSAVG: 2631400 12.7903 -19.6351 1.26797 -22.489 -41.9462 10.6042 -0.324937 8.65948 32.7127 TIMING: 2631400 CPU: 7848.71, 0.00296098/step Wall: 7848.71, 0.00296098/step, 1.94816 hours remaining, 207.574219 MB of memory in use. ENERGY: 2631400 739.4832 2086.8290 1976.3654 118.7491 -206212.5625 17614.5311 0.0000 0.0000 34207.0786 -149469.5262 298.7389 -183676.6047 -149372.8334 298.3662 -161.9412 -129.0651 557561.6089 1.1967 1.1856 PRESSURE: 2631600 174.929 96.0873 76.1632 96.0887 14.3992 15.8351 76.1634 15.8357 -100.24 GPRESSURE: 2631600 207.345 113.834 93.5984 95.4165 79.845 75.0727 27.4396 4.39851 -106.544 PRESSAVG: 2631600 77.4584 53.0384 67.783 53.0384 -22.0933 28.777 67.783 28.777 -57.2264 GPRESSAVG: 2631600 78.6759 52.229 66.6427 54.1438 -22.525 28.3957 67.9755 30.2555 -58.0251 TIMING: 2631600 CPU: 7849.31, 0.00297807/step Wall: 7849.31, 0.00297807/step, 1.95924 hours remaining, 207.574219 MB of memory in use. ENERGY: 2631600 714.0483 2117.9790 1926.2947 113.2716 -206233.2862 17837.4914 0.0000 0.0000 34121.7034 -149402.4978 297.9933 -183524.2012 -149305.5736 298.4445 29.6961 60.2151 557415.5630 -0.6204 -0.6248 PRESSURE: 2631800 309.253 -0.878406 -111.394 -0.879088 107.772 -156.027 -111.395 -156.025 283.191 GPRESSURE: 2631800 328.163 -56.7956 -131.501 45.1973 169.053 -145.831 -74.8235 -154.86 288.908 PRESSAVG: 2631800 33.656 4.03915 -0.60708 4.03918 -4.74361 25.9419 -0.60715 25.9419 -8.31542 GPRESSAVG: 2631800 32.6022 3.28848 -1.49134 4.28543 -4.06468 25.5051 1.67128 26.523 -8.4176 TIMING: 2631800 CPU: 7849.9, 0.00296023/step Wall: 7849.9, 0.00296023/step, 1.94734 hours remaining, 207.574219 MB of memory in use. ENERGY: 2631800 757.9192 2105.1480 1971.7317 109.5047 -206906.7548 18324.3005 0.0000 0.0000 34189.7196 -149448.4311 298.5873 -183638.1507 -149356.5268 298.8321 233.4053 262.0415 556056.4029 6.8656 6.7067 PRESSURE: 2632000 110.721 -37.4205 0.647084 -37.4212 70.8601 -60.6301 0.646965 -60.6305 -158.241 GPRESSURE: 2632000 174.607 -6.23684 -13.9181 -163.046 92.6483 36.6012 25.3628 -151.264 -148.779 PRESSAVG: 2632000 69.893 -5.06014 49.1907 -5.06018 44.7333 -23.9018 49.1907 -23.9019 -55.5886 GPRESSAVG: 2632000 70.1052 -3.3084 51.3198 -3.64972 45.0791 -24.1601 47.1739 -24.7126 -55.9667 TIMING: 2632000 CPU: 7850.49, 0.00296688/step Wall: 7850.49, 0.00296688/step, 1.95154 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2632000 726.3810 2103.9948 1940.9585 116.6460 -206229.7726 17600.0956 0.0000 0.0000 34270.0033 -149471.6934 299.2885 -183741.6967 -149375.3515 299.2896 7.7800 39.4921 556339.1277 19.6793 19.7392 PRESSURE: 2632200 3.6873 -86.1656 -22.5921 -86.1659 -86.9264 132.885 -22.5938 132.885 -169.118 GPRESSURE: 2632200 22.5715 -184.176 -74.1468 3.87879 -20.546 -15.1345 -6.6381 218.906 -155.307 PRESSAVG: 2632200 -37.8143 2.48967 34.0531 2.48961 27.6906 -44.6567 34.053 -44.6566 -9.51527 GPRESSAVG: 2632200 -39.1525 0.106732 32.0494 2.00454 28.3636 -45.4228 35.8034 -43.9921 -9.28111 TIMING: 2632200 CPU: 7851.07, 0.00291632/step Wall: 7851.07, 0.00291632/step, 1.91813 hours remaining, 207.574219 MB of memory in use. ENERGY: 2632200 746.9181 2089.9487 1937.8173 110.5821 -206108.8241 17685.9964 0.0000 0.0000 33950.2195 -149587.3420 296.4957 -183537.5614 -149490.3264 298.4900 -84.1192 -51.0939 557538.7069 -6.5463 -6.6900 LDB: ============= START OF LOAD BALANCING ============== 7854.62 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7854.62 LDB: =============== DONE WITH MIGRATION ================ 7854.62 LDB: ============= START OF LOAD BALANCING ============== 7854.92 LDB: Largest compute 4773 load 0.027178 is 23.0% of average load 0.118197 LDB: Average compute 0.001725 is 1.5% of average load 0.118197 LDB: TIME 7854.92 LOAD: AVG 0.118197 MAX 0.198381 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 7854.92 LOAD: AVG 0.118197 MAX 0.198381 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.078 MB LDB: TIME 7854.92 LOAD: AVG 0.118197 MAX 0.198381 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.078 MB LDB: ============== END OF LOAD BALANCING =============== 7854.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7854.92 PRESSURE: 2632400 -92.7048 34.2984 95.7799 34.2987 -117.387 -71.2974 95.7796 -71.297 107.382 GPRESSURE: 2632400 -91.6967 30.8685 127.583 35.1853 -92.587 -172.647 92.0409 -19.1499 185.006 PRESSAVG: 2632400 34.9554 -38.7914 48.8599 -38.7913 1.6029 -1.65042 48.8598 -1.65041 2.97507 GPRESSAVG: 2632400 36.1254 -38.8246 49.657 -37.8918 0.291205 -1.42664 48.293 -3.56235 3.44094 TIMING: 2632400 CPU: 7851.67, 0.00299866/step Wall: 7851.67, 0.00299866/step, 1.97212 hours remaining, 207.042969 MB of memory in use. ENERGY: 2632400 718.0213 2074.3040 1933.0115 114.1312 -206328.6473 17755.1289 0.0000 0.0000 34317.0924 -149416.9580 299.6997 -183734.0504 -149323.5473 298.5721 -34.2367 0.2409 557832.7311 13.1778 13.2858 PRESSURE: 2632600 161.798 -167.819 43.4359 -167.818 104.876 -30.4472 43.4347 -30.446 -28.6022 GPRESSURE: 2632600 172.641 -127.977 -5.71204 -216.073 68.844 -46.3805 53.109 -172.706 87.81 PRESSAVG: 2632600 6.79483 18.6031 6.99713 18.6031 12.2564 -37.2256 6.99705 -37.2255 28.2648 GPRESSAVG: 2632600 6.68209 20.5715 7.05327 18.2655 12.2901 -37.9659 6.40143 -36.0581 28.3428 TIMING: 2632600 CPU: 7852.27, 0.00298545/step Wall: 7852.27, 0.00298545/step, 1.96327 hours remaining, 207.042969 MB of memory in use. ENERGY: 2632600 755.4822 2045.7636 1945.5481 108.4029 -206502.4585 18005.8704 0.0000 0.0000 33965.5640 -149675.8273 296.6297 -183641.3913 -149580.0555 298.3600 79.3573 109.7648 556679.7689 15.7720 15.7717 PRESSURE: 2632800 124.596 -91.8137 -10.8899 -91.8146 -112.51 29.7553 -10.8898 29.7552 -194.913 GPRESSURE: 2632800 180.306 -135.692 -30.0301 -33.8773 -124.189 31.1556 -81.4472 115.431 -147.456 PRESSAVG: 2632800 -14.5853 -9.28698 10.3088 -9.28695 -41.3194 9.24891 10.3087 9.24893 32.5622 GPRESSAVG: 2632800 -14.5997 -9.48016 10.3044 -10.3951 -41.528 9.41553 9.83929 10.0906 33.0353 TIMING: 2632800 CPU: 7852.87, 0.00297959/step Wall: 7852.87, 0.00297959/step, 1.95925 hours remaining, 207.082031 MB of memory in use. ENERGY: 2632800 736.5042 2018.9199 1940.6211 102.1231 -206456.6974 17851.9559 0.0000 0.0000 34146.5488 -149660.0244 298.2103 -183806.5732 -149564.5572 298.1196 -60.9423 -30.4464 558442.3684 -7.7808 -7.6975 PRESSURE: 2633000 -11.5006 -130.898 47.7828 -130.898 210.334 113.687 47.7817 113.687 28.6815 GPRESSURE: 2633000 21.7029 -184.39 38.0375 -83.7396 180.559 161.402 97.9073 79.1337 122.016 PRESSAVG: 2633000 12.9307 24.8125 9.24223 24.8125 21.8528 10.3534 9.24219 10.3536 -57.4435 GPRESSAVG: 2633000 12.1612 25.476 10.1645 24.7443 21.7143 12.1957 9.59488 8.14656 -56.6367 TIMING: 2633000 CPU: 7853.46, 0.00296602/step Wall: 7853.46, 0.00296601/step, 1.95015 hours remaining, 207.082031 MB of memory in use. ENERGY: 2633000 751.8687 2041.0941 1950.4895 106.0726 -206858.2688 18144.6019 0.0000 0.0000 34172.8324 -149691.3095 298.4398 -183864.1419 -149601.8749 297.6932 75.8384 108.0928 558289.8289 -7.5533 -7.5871 PRESSURE: 2633200 -15.2459 114.476 80.5139 114.474 205.611 -53.773 80.5134 -53.7735 -264.797 GPRESSURE: 2633200 42.4895 49.4052 73.2639 71.6674 203.659 -14.4534 109.98 -63.6673 -227.455 PRESSAVG: 2633200 67.6405 49.7008 -7.76752 49.7008 -10.7895 8.66416 -7.76746 8.66414 -68.2942 GPRESSAVG: 2633200 68.8204 47.3909 -8.86863 49.416 -11.5571 6.9103 -9.21924 10.1882 -68.5724 TIMING: 2633200 CPU: 7854.06, 0.00298594/step Wall: 7854.06, 0.00298594/step, 1.96309 hours remaining, 207.285156 MB of memory in use. ENERGY: 2633200 706.3374 2080.8709 1941.2815 101.5909 -206592.7926 17791.6790 0.0000 0.0000 34134.3858 -149836.6469 298.1041 -183971.0327 -149740.0860 297.6803 -24.8107 6.2312 558498.1634 -3.8144 -3.7697 PRESSURE: 2633400 40.9137 3.00342 11.6885 3.00305 285.618 173.842 11.6881 173.84 108.259 GPRESSURE: 2633400 133.65 -32.2967 -22.7391 -31.5151 272.684 90.6127 105.331 157.042 134.228 PRESSAVG: 2633400 18.3989 48.8434 51.6109 48.8434 11.488 40.299 51.6109 40.2991 7.86305 GPRESSAVG: 2633400 16.8021 49.1495 51.0868 50.2063 13.3077 41.7445 53.4072 39.4234 7.4438 TIMING: 2633400 CPU: 7854.65, 0.00298213/step Wall: 7854.65, 0.00298213/step, 1.96042 hours remaining, 207.285156 MB of memory in use. ENERGY: 2633400 735.8731 2100.9366 1919.2372 109.0841 -207134.7986 18287.5639 0.0000 0.0000 34172.2694 -149809.8343 298.4349 -183982.1037 -149715.3261 297.8039 144.9301 180.1874 557753.4827 12.5833 12.5179 PRESSURE: 2633600 141.643 114.247 -136.26 114.246 -129.656 -46.0978 -136.259 -46.0976 -196.567 GPRESSURE: 2633600 123.259 136.577 -148.673 135.653 -94.4061 -65.6766 -66.0557 -25.2797 -119.098 PRESSAVG: 2633600 -15.467 -0.530164 27.9806 -0.530187 23.737 -49.0918 27.9806 -49.0919 -16.8996 GPRESSAVG: 2633600 -14.7301 0.885034 27.1202 -1.01699 23.2802 -50.1873 27.004 -48.1431 -17.1568 TIMING: 2633600 CPU: 7855.25, 0.00300498/step Wall: 7855.25, 0.00300498/step, 1.97527 hours remaining, 207.285156 MB of memory in use. ENERGY: 2633600 770.3988 2145.2922 1922.1880 113.1158 -207290.0193 18059.5603 0.0000 0.0000 34254.9864 -150024.4778 299.1573 -184279.4642 -149929.7086 297.1925 -61.5267 -30.0820 557200.3941 -2.8765 -2.8689 PRESSURE: 2633800 245.355 28.4356 8.46492 28.4348 196.475 -46.0029 8.46465 -46.0044 218.97 GPRESSURE: 2633800 252.078 -20.8631 66.7702 10.1613 215.254 -9.92098 -79.9648 -99.7474 288.232 PRESSAVG: 2633800 18.0464 13.8636 61.8076 13.8636 29.4901 -78.3312 61.8076 -78.3313 3.52126 GPRESSAVG: 2633800 18.2566 15.2173 63.3683 12.5104 28.4032 -77.1545 60.9268 -78.8356 4.08165 TIMING: 2633800 CPU: 7855.86, 0.00300357/step Wall: 7855.86, 0.00300357/step, 1.97418 hours remaining, 207.285156 MB of memory in use. ENERGY: 2633800 712.4308 2144.7775 1933.2838 120.9940 -207412.7720 18310.5226 0.0000 0.0000 33984.9560 -150205.8074 296.7991 -184190.7634 -150116.2436 297.1452 220.2664 251.8547 556873.1611 17.0192 16.9138 PRESSURE: 2634000 -38.7161 -111.01 -53.7539 -111.01 117.643 166.051 -53.7549 166.05 -115.989 GPRESSURE: 2634000 32.1857 -144.932 -78.1649 -99.4845 112.27 156.792 26.3212 85.6926 -96.3002 PRESSAVG: 2634000 72.4066 57.3311 -33.5464 57.331 -15.4062 26.2317 -33.5464 26.2318 -55.2366 GPRESSAVG: 2634000 72.3374 55.3293 -33.8739 59.0842 -15.2198 26.4419 -31.2832 25.4191 -55.9439 TIMING: 2634000 CPU: 7856.45, 0.00296194/step Wall: 7856.45, 0.00296194/step, 1.94665 hours remaining, 207.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2634000 739.7351 2102.2261 1967.8110 104.8397 -206870.8448 17805.5853 0.0000 0.0000 34125.9698 -150024.6778 298.0306 -184150.6476 -149929.9348 297.1273 -12.3542 16.0517 556787.4224 0.5879 0.3912 PRESSURE: 2634200 -149.576 50.5765 -77.279 50.5776 113.166 -132.081 -77.2783 -132.081 -110.358 GPRESSURE: 2634200 -125.272 -62.1287 -100.369 56.331 91.0052 -139.279 -76.0574 -113.513 -17.5824 PRESSAVG: 2634200 34.458 68.7329 -25.8225 68.733 16.8338 -4.70773 -25.8226 -4.70775 -48.1422 GPRESSAVG: 2634200 33.2535 71.5619 -25.195 66.3681 16.6863 -5.15717 -26.666 -5.06381 -46.7403 TIMING: 2634200 CPU: 7857.04, 0.00296618/step Wall: 7857.04, 0.00296618/step, 1.94927 hours remaining, 207.285156 MB of memory in use. ENERGY: 2634200 766.5620 2146.2110 1953.8683 113.9255 -206607.8155 17705.2871 0.0000 0.0000 34067.1372 -149854.8243 297.5168 -183921.9615 -149759.1585 297.6536 -48.9227 -17.2831 555938.3657 1.0498 1.0665 PRESSURE: 2634400 -41.0534 -102.019 35.3935 -102.017 -192.217 -11.183 35.3942 -11.1835 -7.57394 GPRESSURE: 2634400 -31.8061 -100.844 16.8308 -69.035 -130.705 -12.8809 15.4929 -83.4032 18.8605 PRESSAVG: 2634400 -7.17081 10.239 3.01607 10.2391 46.613 -42.7455 3.01615 -42.7455 -18.3868 GPRESSAVG: 2634400 -6.78357 6.8174 3.73093 13.2338 47.3788 -43.1765 3.0168 -40.7119 -19.4243 TIMING: 2634400 CPU: 7857.63, 0.00296716/step Wall: 7857.63, 0.00296716/step, 1.94975 hours remaining, 207.285156 MB of memory in use. ENERGY: 2634400 698.0371 2161.8058 1943.3730 107.6251 -206539.5042 17685.1304 0.0000 0.0000 34052.7724 -149890.7604 297.3913 -183943.5328 -149791.5005 297.3551 -80.2815 -47.8836 557214.1915 7.0185 7.0570 PRESSURE: 2634600 -161.656 -27.216 -94.2435 -27.2176 87.8339 0.31239 -94.2443 0.313296 116.856 GPRESSURE: 2634600 -129.413 -42.1467 35.1083 -2.76081 131.532 35.2546 -164.922 8.67026 134.71 PRESSAVG: 2634600 -35.2661 10.8233 -70.7405 10.8233 3.40667 13.2847 -70.7405 13.2847 53.6715 GPRESSAVG: 2634600 -35.1129 13.5472 -71.5624 8.02921 4.02271 13.6071 -70.5918 12.9696 52.7258 TIMING: 2634600 CPU: 7858.23, 0.00298061/step Wall: 7858.23, 0.00298061/step, 1.95843 hours remaining, 207.285156 MB of memory in use. ENERGY: 2634600 754.4771 2097.8754 1934.7716 96.9871 -206757.7575 17999.2698 0.0000 0.0000 34214.6014 -149659.7751 298.8046 -183874.3765 -149565.6203 297.6976 14.3447 45.6098 555049.5236 7.2707 7.2118 PRESSURE: 2634800 -155.049 111.155 51.859 111.155 -134.577 -175.238 51.8593 -175.238 124.737 GPRESSURE: 2634800 -88.0794 75.1946 -16.9082 59.8888 -153.441 -67.0765 81.113 -183.151 174.487 PRESSAVG: 2634800 -18.9195 -21.6602 9.75394 -21.66 23.6573 -14.3893 9.75396 -14.3893 2.22729 GPRESSAVG: 2634800 -19.3143 -21.6193 10.1632 -22.2798 22.6465 -15.4068 6.28689 -15.4771 2.61881 TIMING: 2634800 CPU: 7858.84, 0.00303828/step Wall: 7858.84, 0.00303828/step, 1.99615 hours remaining, 207.285156 MB of memory in use. ENERGY: 2634800 786.0962 2088.1022 1936.2352 119.8653 -206660.5930 17778.2600 0.0000 0.0000 34172.4320 -149779.6020 298.4363 -183952.0341 -149680.0832 298.8309 -54.9631 -22.3445 555722.4112 2.3217 1.9837 PRESSURE: 2635000 -27.9962 -1.02429 139.565 -1.02462 117.299 122.44 139.568 122.44 157.73 GPRESSURE: 2635000 -19.4938 30.0631 62.0654 85.8491 168.258 136.685 173.4 80.144 194.156 PRESSAVG: 2635000 -13.9528 -11.3059 32.3279 -11.3058 -8.78446 -22.8508 32.3279 -22.8508 1.747 GPRESSAVG: 2635000 -14.6272 -11.8736 31.5618 -9.69189 -7.87233 -20.2673 33.1109 -22.7408 1.26162 TIMING: 2635000 CPU: 7859.43, 0.00297854/step Wall: 7859.43, 0.00297854/step, 1.95673 hours remaining, 207.285156 MB of memory in use. ENERGY: 2635000 746.0986 2080.8201 1950.2926 115.1845 -206869.7261 18046.1422 0.0000 0.0000 34362.6502 -149568.5380 300.0976 -183931.1882 -149471.7171 297.8347 82.3443 114.3066 556419.0237 -6.9968 -7.0793 PRESSURE: 2635200 137.301 -71.9738 -46.606 -71.9736 138.493 208.145 -46.6055 208.148 48.8951 GPRESSURE: 2635200 242.52 -36.3877 -25.9588 -128.554 155.655 194.909 -42.0084 114.109 27.7682 PRESSAVG: 2635200 32.329 -10.5281 -33.0611 -10.5282 -45.7184 65.7852 -33.0611 65.7852 0.714481 GPRESSAVG: 2635200 33.171 -8.87332 -31.565 -12.2823 -47.0118 62.8743 -32.0089 66.4414 0.919161 TIMING: 2635200 CPU: 7860.03, 0.00297966/step Wall: 7860.03, 0.00297966/step, 1.95731 hours remaining, 207.285156 MB of memory in use. ENERGY: 2635200 682.0031 2120.0373 1970.3527 111.5796 -206331.4566 17856.7400 0.0000 0.0000 33973.5380 -149617.2058 296.6994 -183590.7438 -149530.8373 298.8034 108.2296 141.9812 555945.1634 -4.2250 -4.3072 PRESSURE: 2635400 164.396 -87.7382 -21.6126 -87.7377 -117.859 -185.668 -21.6126 -185.667 69.3084 GPRESSURE: 2635400 250.254 -139.432 -51.1832 52.0451 -52.1585 -73.0349 8.22331 -112.91 14.3661 PRESSAVG: 2635400 28.5831 -14.969 -32.4841 -14.9691 -9.72956 22.2901 -32.4842 22.2902 -71.7293 GPRESSAVG: 2635400 28.7378 -16.5398 -32.6086 -12.3723 -8.637 23.0467 -31.9556 22.2285 -73.1187 TIMING: 2635400 CPU: 7860.62, 0.00296998/step Wall: 7860.62, 0.00296998/step, 1.95078 hours remaining, 207.285156 MB of memory in use. ENERGY: 2635400 715.3424 2091.4546 1919.6955 105.9677 -206603.4157 17934.9986 0.0000 0.0000 34277.5035 -149558.4535 299.3540 -183835.9570 -149466.2549 298.4785 38.6152 70.8206 557519.1512 -17.6253 -17.6726 PRESSURE: 2635600 96.8809 126.15 16.0619 126.15 -19.6715 -130.114 16.0619 -130.115 328.922 GPRESSURE: 2635600 160.111 90.9619 64.3587 122.085 25.5603 -95.7264 23.1634 -135.17 321.71 PRESSAVG: 2635600 49.2032 -38.5276 -38.6758 -38.5276 -17.4024 41.0018 -38.6759 41.0019 15.3872 GPRESSAVG: 2635600 50.679 -39.0974 -41.8645 -39.8349 -19.1453 39.7294 -37.7539 41.6675 15.3675 TIMING: 2635600 CPU: 7861.22, 0.002997/step Wall: 7861.22, 0.002997/step, 1.96836 hours remaining, 207.285156 MB of memory in use. ENERGY: 2635600 728.5651 2062.3522 1914.2818 114.5694 -206711.8711 18219.1706 0.0000 0.0000 34174.0868 -149498.8452 298.4508 -183672.9320 -149405.4244 298.6313 135.3773 169.1271 557137.3795 15.7293 15.6337 PRESSURE: 2635800 -340.533 -118.948 -52.0043 -118.948 -20.4253 43.9525 -52.0037 43.9532 2.25903 GPRESSURE: 2635800 -292.224 -62.967 6.1883 -180.904 12.7091 -9.33732 -31.8416 61.824 25.6801 PRESSAVG: 2635800 33.8598 -38.2384 -23.1997 -38.2383 -35.1433 -8.13088 -23.1996 -8.13093 9.82636 GPRESSAVG: 2635800 32.5163 -38.6082 -19.659 -38.4201 -34.4025 -6.90167 -25.0065 -8.63622 9.93455 TIMING: 2635800 CPU: 7861.82, 0.00298102/step Wall: 7861.82, 0.00298102/step, 1.9577 hours remaining, 207.285156 MB of memory in use. ENERGY: 2635800 740.7349 2074.2120 1940.3679 109.8357 -206205.4481 17651.0469 0.0000 0.0000 34453.0451 -149236.2056 300.8870 -183689.2507 -149134.6062 299.4176 -119.5666 -84.6116 557239.5238 2.8476 2.6828 PRESSURE: 2636000 -66.3409 2.49718 -79.4027 2.49646 -234.972 -201.138 -79.4022 -201.142 156.535 GPRESSURE: 2636000 -35.5627 -22.4312 -98.9493 56.723 -165.872 -255.026 -138.856 -156.376 159.711 PRESSAVG: 2636000 -17.4296 -11.2054 -27.7526 -11.2054 -8.75626 -12.9776 -27.7527 -12.9777 27.6313 GPRESSAVG: 2636000 -18.1537 -10.6733 -27.5058 -13.0969 -8.4936 -12.2122 -29.1918 -13.4264 28.4774 TIMING: 2636000 CPU: 7862.42, 0.0029789/step Wall: 7862.42, 0.0029789/step, 1.95615 hours remaining, 207.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2636000 746.1552 2064.0462 1929.6500 114.4093 -206113.4051 17736.3477 0.0000 0.0000 34401.9383 -149120.8585 300.4407 -183522.7968 -149021.9353 299.3390 -48.2592 -13.9079 557648.6347 0.4818 0.6100 PRESSURE: 2636200 111.187 -106.527 -92.8571 -106.528 -274.779 39.5536 -92.8567 39.5532 -58.4028 GPRESSURE: 2636200 164.325 -92.5593 -48.3807 -85.4056 -230.463 64.5038 -86.0436 -39.1126 -50.8889 PRESSAVG: 2636200 -8.61407 23.1764 6.26081 23.1763 -39.474 16.9716 6.2608 16.9715 17.4146 GPRESSAVG: 2636200 -8.25729 22.6944 5.45334 25.826 -39.3546 15.8071 7.93082 16.5342 17.5437 TIMING: 2636200 CPU: 7863.01, 0.00298641/step Wall: 7863.01, 0.00298641/step, 1.96091 hours remaining, 207.285156 MB of memory in use. ENERGY: 2636200 773.9170 2071.7185 1911.2104 97.4310 -206194.7589 17907.1069 0.0000 0.0000 34491.3200 -148942.0551 301.2213 -183433.3751 -148843.1035 299.5842 -73.9983 -39.0089 556974.4261 -10.2245 -10.0227 LDB: ============= START OF LOAD BALANCING ============== 7866.56 LDB: ============== END OF LOAD BALANCING =============== 7866.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7866.57 LDB: ============= START OF LOAD BALANCING ============== 7866.87 LDB: Largest compute 4773 load 0.027686 is 23.4% of average load 0.118294 LDB: Average compute 0.001732 is 1.5% of average load 0.118294 LDB: TIME 7866.87 LOAD: AVG 0.118294 MAX 0.204572 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 7866.87 LOAD: AVG 0.118294 MAX 0.204572 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.078 MB LDB: TIME 7866.87 LOAD: AVG 0.118294 MAX 0.204572 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7866.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7866.88 PRESSURE: 2636400 11.2335 56.9918 -191.288 56.9916 22.0901 6.11172 -191.288 6.11085 112.403 GPRESSURE: 2636400 56.3799 -7.56562 -219.872 99.6931 63.0081 -20.5713 -173.306 2.8685 132.18 PRESSAVG: 2636400 35.6246 23.5569 -48.8719 23.5569 -41.4711 -6.93544 -48.8719 -6.93554 -15.1924 GPRESSAVG: 2636400 36.5875 24.0192 -47.2432 22.1512 -41.9646 -4.74468 -47.5467 -8.01417 -15.7559 TIMING: 2636400 CPU: 7863.63, 0.00307285/step Wall: 7863.63, 0.00307285/step, 2.0175 hours remaining, 206.222656 MB of memory in use. ENERGY: 2636400 730.7373 2046.3783 1928.8782 121.3191 -205930.6225 17901.7263 0.0000 0.0000 34308.3732 -148893.2102 299.6236 -183201.5833 -148796.6964 300.1817 48.5755 83.8558 557494.2712 -7.0130 -7.0444 PRESSURE: 2636600 -273.7 131.141 -12.9226 131.14 -159.058 -194.9 -12.9231 -194.899 2.12163 GPRESSURE: 2636600 -260.972 230.171 74.2523 56.3574 -123.112 -239.625 -34.7842 -67.753 38.2692 PRESSAVG: 2636600 -44.7914 54.1312 -42.257 54.1311 21.7766 13.9061 -42.2571 13.906 -1.33521 GPRESSAVG: 2636600 -46.0728 55.7731 -42.3709 54.5937 21.467 12.3414 -42.7648 16.8726 -0.206923 TIMING: 2636600 CPU: 7864.22, 0.0029564/step Wall: 7864.22, 0.0029564/step, 1.94088 hours remaining, 206.222656 MB of memory in use. ENERGY: 2636600 753.5046 2138.4581 1919.9895 116.3007 -205982.9204 17689.6489 0.0000 0.0000 34344.1078 -149020.9108 299.9356 -183365.0187 -148927.5768 300.5550 -143.5452 -115.2715 557919.0174 -8.1167 -8.2709 PRESSURE: 2636800 -60.0263 -10.5373 -184.591 -10.5375 26.6099 66.5502 -184.591 66.5499 49.5581 GPRESSURE: 2636800 -16.8923 8.45606 -95.3813 -94.9446 46.9659 35.2213 -240.479 121.628 70.9414 PRESSAVG: 2636800 -18.4984 -10.536 -26.4877 -10.5359 -11.2466 25.2266 -26.4877 25.2266 45.839 GPRESSAVG: 2636800 -17.6526 -13.023 -27.8978 -8.91044 -10.1559 26.2875 -24.9832 24.2678 43.6154 TIMING: 2636800 CPU: 7864.81, 0.00295679/step Wall: 7864.81, 0.00295679/step, 1.94097 hours remaining, 206.222656 MB of memory in use. ENERGY: 2636800 776.2208 2078.0655 1935.4864 107.9572 -206198.3659 17887.3209 0.0000 0.0000 34313.8069 -149099.5082 299.6710 -183413.3151 -148997.8661 300.2850 5.3805 33.6716 557122.4894 5.3647 5.2689 PRESSURE: 2637000 366.862 54.3087 35.9814 54.3066 116.259 38.5845 35.981 38.585 -96.8823 GPRESSURE: 2637000 357.078 72.5251 -29.3571 28.2173 179.473 78.6429 35.3628 5.83237 -56.0321 PRESSAVG: 2637000 -2.85603 -44.6958 -38.1934 -44.6958 -18.2049 24.1392 -38.1935 24.1393 -6.23209 GPRESSAVG: 2637000 -3.64788 -43.7934 -40.1498 -43.1932 -18.9676 23.4754 -39.2593 24.1146 -4.7064 TIMING: 2637000 CPU: 7865.4, 0.00296338/step Wall: 7865.4, 0.00296338/step, 1.94513 hours remaining, 206.222656 MB of memory in use. ENERGY: 2637000 774.6749 2026.9157 1928.3218 106.1738 -206344.5724 18077.8332 0.0000 0.0000 34454.8013 -148975.8518 300.9023 -183430.6531 -148877.2594 300.0306 128.7464 160.1730 556503.4625 -9.0977 -9.1073 PRESSURE: 2637200 40.1482 -65.4991 -80.4342 -65.4989 71.7556 5.07946 -80.4346 5.079 -147.372 GPRESSURE: 2637200 88.7211 -92.6458 -137.041 -90.7728 140.559 -7.46009 -94.3803 -83.3657 -171.201 PRESSAVG: 2637200 -11.0071 50.0197 -89.2635 50.0197 6.79466 -9.33043 -89.2636 -9.33038 4.57126 GPRESSAVG: 2637200 -12.1194 50.7061 -87.2117 46.9188 8.25312 -9.19895 -89.1728 -10.5881 4.07827 TIMING: 2637200 CPU: 7865.99, 0.0029579/step Wall: 7865.99, 0.0029579/step, 1.94137 hours remaining, 206.222656 MB of memory in use. ENERGY: 2637200 745.6906 2085.8680 1916.4146 105.6178 -206005.7086 17801.1421 0.0000 0.0000 34262.2729 -149088.7025 299.2210 -183350.9755 -148989.4934 300.0969 -11.8229 19.3596 557733.9963 0.1196 0.0707 PRESSURE: 2637400 182.118 -105.493 6.87811 -105.493 -227.777 -0.0614181 6.87779 -0.0620733 90.9835 GPRESSURE: 2637400 221.627 -101.27 -32.3231 -46.1272 -183.01 48.3374 -41.2297 -77.3972 125.218 PRESSAVG: 2637400 -30.5454 -20.3103 -25.7421 -20.3102 17.5339 -49.6301 -25.7421 -49.63 -34.7375 GPRESSAVG: 2637400 -29.4287 -20.5976 -25.2164 -18.435 15.7771 -47.5625 -26.1382 -51.8604 -34.3769 TIMING: 2637400 CPU: 7866.59, 0.00296388/step Wall: 7866.59, 0.00296388/step, 1.94513 hours remaining, 206.222656 MB of memory in use. ENERGY: 2637400 772.2461 2060.0119 1934.6121 107.7773 -206017.5137 17904.3112 0.0000 0.0000 34202.5483 -149036.0070 298.6994 -183238.5552 -148948.3300 299.9897 15.1082 54.6115 556860.7994 -15.9163 -16.0095 PRESSURE: 2637600 105.247 -101.322 26.7625 -101.323 283.318 118.582 26.7621 118.582 203.73 GPRESSURE: 2637600 154.446 -16.6567 28.4762 -204.699 310.658 62.6889 53.116 138.076 233.652 PRESSAVG: 2637600 39.1552 -62.6041 13.8618 -62.6041 1.78621 -28.4803 13.8618 -28.4803 -47.7995 GPRESSAVG: 2637600 39.0235 -62.8872 14.0099 -63.8394 3.03275 -28.295 12.2786 -26.6892 -48.4604 TIMING: 2637600 CPU: 7867.17, 0.00293935/step Wall: 7867.17, 0.00293935/step, 1.92887 hours remaining, 206.222656 MB of memory in use. ENERGY: 2637600 737.9567 2083.9848 1943.1488 106.0746 -205888.5475 17881.2643 0.0000 0.0000 34404.1576 -148731.9605 300.4601 -183136.1182 -148634.4141 300.5068 197.4315 232.9188 557050.7443 -2.2860 -2.1347 PRESSURE: 2637800 173.989 -47.2898 -1.23107 -47.2897 -90.6114 4.3472 -1.23179 4.3469 86.9553 GPRESSURE: 2637800 227.793 -82.8157 -89.3646 -80.7884 -48.4888 -92.8644 -2.75104 3.74136 70.7459 PRESSAVG: 2637800 27.6416 -8.08442 -4.39883 -8.08452 -33.7283 35.0402 -4.39875 35.0402 -18.4033 GPRESSAVG: 2637800 28.2655 -9.94896 -4.09456 -6.45029 -34.323 35.1086 -4.34828 35.4726 -18.2408 TIMING: 2637800 CPU: 7867.77, 0.00295097/step Wall: 7867.77, 0.00295097/step, 1.93633 hours remaining, 206.222656 MB of memory in use. ENERGY: 2637800 746.8187 2082.8050 1934.2438 98.5330 -205903.1984 17867.0256 0.0000 0.0000 34507.5712 -148666.2012 301.3632 -183173.7724 -148570.3059 300.2917 56.7777 83.3500 558261.2236 -8.1633 -8.0994 PRESSURE: 2638000 51.0989 -4.8685 98.3766 -4.87008 -278.7 97.7185 98.376 97.7175 16.3976 GPRESSURE: 2638000 84.9648 4.3995 81.6471 -8.77674 -220.699 16.0086 66.7819 96.6161 25.8801 PRESSAVG: 2638000 81.0456 -55.7352 -18.2008 -55.7351 -72.1236 57.3226 -18.2009 57.3226 22.4546 GPRESSAVG: 2638000 80.8108 -55.8438 -18.7607 -54.8571 -71.5315 56.1921 -16.7911 56.264 22.6303 TIMING: 2638000 CPU: 7868.35, 0.00294406/step Wall: 7868.35, 0.00294406/step, 1.93163 hours remaining, 206.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2638000 769.6220 2146.5498 1931.1815 123.3252 -206225.5748 17745.1400 0.0000 0.0000 34661.3959 -148848.3604 302.7066 -183509.7564 -148749.3550 301.0657 -70.4013 -36.6180 558674.2910 10.4589 10.6365 PRESSURE: 2638200 -86.7272 -105.521 -10.268 -105.521 -79.8175 -46.1785 -10.268 -46.1789 -2.49802 GPRESSURE: 2638200 -31.9745 -103.382 52.533 -116.587 -46.0885 -7.35045 -55.0587 -96.3573 3.45425 PRESSAVG: 2638200 28.4021 -38.8638 29.2522 -38.8638 1.2367 10.921 29.2522 10.9211 -26.6201 GPRESSAVG: 2638200 28.1801 -36.9214 28.2132 -41.4444 1.45152 11.9098 31.3129 10.1209 -26.215 TIMING: 2638200 CPU: 7868.94, 0.00293852/step Wall: 7868.94, 0.00293852/step, 1.92783 hours remaining, 206.222656 MB of memory in use. ENERGY: 2638200 741.1166 2113.4753 1937.3843 107.4623 -206160.7339 17773.6270 0.0000 0.0000 34408.9981 -149078.6704 300.5023 -183487.6685 -148977.9528 300.4341 -56.3476 -24.8696 558189.6959 1.0062 1.1389 PRESSURE: 2638400 -172.421 52.0961 11.303 52.0963 -66.014 97.4157 11.3036 97.4146 -130.161 GPRESSURE: 2638400 -121.232 -21.192 -6.97489 152.923 -7.25809 147.008 -4.48429 162.542 -133.082 PRESSAVG: 2638400 -3.65157 -27.6103 -30.0477 -27.6103 23.0459 -59.8126 -30.0478 -59.8126 -17.4505 GPRESSAVG: 2638400 -3.88059 -26.7807 -29.5886 -26.5937 23.0206 -60.1778 -32.9502 -58.9657 -16.3539 TIMING: 2638400 CPU: 7869.53, 0.00294458/step Wall: 7869.53, 0.00294458/step, 1.93164 hours remaining, 206.222656 MB of memory in use. ENERGY: 2638400 724.0995 2112.7661 1952.1170 123.6398 -205825.5862 17536.0000 0.0000 0.0000 34282.1339 -149094.8301 299.3944 -183376.9639 -149002.3559 299.6801 -122.8655 -87.1904 557504.0474 0.6479 0.9287 PRESSURE: 2638600 74.4164 27.0975 -56.8148 27.0981 112.373 53.8232 -56.8145 53.8228 -108.279 GPRESSURE: 2638600 118.277 48.2171 -43.3018 73.1255 144.274 -40.0564 -44.6629 93.5851 -86.4852 PRESSAVG: 2638600 -38.1469 37.2811 -21.4662 37.281 23.0144 10.3097 -21.4663 10.3097 -8.64092 GPRESSAVG: 2638600 -38.1438 36.2983 -21.575 37.8668 23.7259 8.89859 -18.9484 11.3563 -9.08842 TIMING: 2638600 CPU: 7870.12, 0.00295017/step Wall: 7870.12, 0.00295017/step, 1.93515 hours remaining, 206.222656 MB of memory in use. ENERGY: 2638600 732.3523 2071.4358 1936.4588 114.5819 -206091.1411 17774.8931 0.0000 0.0000 34393.9126 -149067.5067 300.3706 -183461.4193 -148970.0257 299.7064 26.1701 58.6883 557738.6227 -7.9245 -7.8354 PRESSURE: 2638800 -34.3465 -52.1341 116.595 -52.1339 -173.397 20.3798 116.595 20.38 -66.7581 GPRESSURE: 2638800 -50.5267 -52.878 127.867 -67.4873 -103.928 6.98421 97.7271 79.9803 -31.6512 PRESSAVG: 2638800 41.1349 -25.114 -5.72177 -25.114 2.49804 25.6005 -5.72173 25.6005 -54.1696 GPRESSAVG: 2638800 40.809 -23.3704 -4.76638 -28.4337 2.00177 28.6491 -7.18138 24.6337 -53.2642 TIMING: 2638800 CPU: 7870.72, 0.00297494/step Wall: 7870.72, 0.00297494/step, 1.95123 hours remaining, 206.222656 MB of memory in use. ENERGY: 2638800 737.0636 2115.0184 1916.3915 115.5428 -205915.7725 17638.6219 0.0000 0.0000 34248.8247 -149144.3096 299.1035 -183393.1342 -149039.2583 300.3587 -91.5007 -62.0353 558166.6344 -3.5122 -3.4845 PRESSURE: 2639000 122.162 105.315 -62.9516 105.316 -153.986 38.2805 -62.9525 38.279 10.3981 GPRESSURE: 2639000 123.094 146.804 -58.366 79.9376 -132.503 16.9751 -50.7583 35.611 91.8167 PRESSAVG: 2639000 13.03 27.6 -20.1957 27.6 2.15331 45.3549 -20.1957 45.3549 -13.534 GPRESSAVG: 2639000 13.6988 26.024 -21.2959 29.5314 1.56631 44.8143 -19.1911 44.4722 -13.7134 TIMING: 2639000 CPU: 7871.31, 0.00295902/step Wall: 7871.31, 0.00295902/step, 1.94062 hours remaining, 206.222656 MB of memory in use. ENERGY: 2639000 751.1115 2089.2617 1914.3359 98.8100 -206499.5507 18111.6748 0.0000 0.0000 34349.8358 -149184.5211 299.9857 -183534.3569 -149087.2792 299.3663 -7.1419 27.4692 557809.4494 0.5497 0.5172 PRESSURE: 2639200 -45.9714 -46.1374 -22.389 -46.1383 39.1251 19.361 -22.3869 19.3607 -367.947 GPRESSURE: 2639200 24.2977 -27.1286 -85.9392 37.7413 91.2999 80.8688 12.8879 -35.3813 -392.706 PRESSAVG: 2639200 -42.7107 39.7546 -5.51745 39.7546 -0.0834249 -6.16788 -5.51738 -6.16799 54.8536 GPRESSAVG: 2639200 -42.2454 41.2789 -5.9094 41.424 0.024814 -7.59287 -5.0434 -3.68413 53.6367 TIMING: 2639200 CPU: 7871.9, 0.00296722/step Wall: 7871.9, 0.00296722/step, 1.94584 hours remaining, 206.222656 MB of memory in use. ENERGY: 2639200 756.0036 2093.3558 1947.7941 115.5708 -206047.9508 17710.8500 0.0000 0.0000 34298.0757 -149126.3008 299.5336 -183424.3765 -149029.5980 299.6499 -124.9312 -92.3696 557823.5733 4.0198 3.8054 PRESSURE: 2639400 -21.5364 -111.811 32.0989 -111.809 265.039 18.5808 32.0979 18.5801 -23.4793 GPRESSURE: 2639400 51.846 -150.647 84.5674 -134.181 189.483 40.7886 -2.74862 5.99758 74.2553 PRESSAVG: 2639400 -14.6134 3.42838 23.891 3.42832 7.23058 -23.6166 23.8911 -23.6166 24.6957 GPRESSAVG: 2639400 -15.7723 1.82266 25.5685 2.67257 6.67618 -23.2165 24.8594 -24.9481 25.9002 TIMING: 2639400 CPU: 7872.49, 0.00294032/step Wall: 7872.49, 0.00294032/step, 1.92803 hours remaining, 206.222656 MB of memory in use. ENERGY: 2639400 674.7227 2112.1941 1970.1475 107.8639 -205931.1484 17823.2157 0.0000 0.0000 34139.8395 -149103.1650 298.1517 -183243.0045 -149003.8270 298.8397 73.3411 105.1947 558322.2503 5.7709 5.6013 PRESSURE: 2639600 -286.906 66.3412 -26.638 66.3412 -290.947 -144.913 -26.6379 -144.913 -52.8704 GPRESSURE: 2639600 -210.223 72.7464 -109.893 11.1305 -252.551 -168.577 7.74317 -133.564 -71.7344 PRESSAVG: 2639600 11.2098 -35.112 25.4359 -35.1121 -13.1956 20.98 25.436 20.98 22.8439 GPRESSAVG: 2639600 12.3844 -35.6584 23.326 -34.4199 -12.472 20.4397 23.5566 19.2415 21.746 TIMING: 2639600 CPU: 7873.08, 0.00293373/step Wall: 7873.08, 0.00293373/step, 1.92355 hours remaining, 206.222656 MB of memory in use. ENERGY: 2639600 750.2530 2134.7449 1941.9258 113.6310 -205591.2129 17382.5157 0.0000 0.0000 34084.2724 -149183.8702 297.6664 -183268.1426 -149084.0216 299.4003 -210.2411 -178.1697 558301.5118 6.9527 7.2195 PRESSURE: 2639800 86.4848 -180.129 77.6399 -180.129 209.056 62.7396 77.6385 62.7379 -309.189 GPRESSURE: 2639800 119.247 -122.045 41.679 -236.561 241.52 26.3334 50.399 25.268 -280.515 PRESSAVG: 2639800 -9.66333 -20.828 29.6698 -20.8279 42.558 -7.07059 29.6698 -7.07062 -20.3606 GPRESSAVG: 2639800 -10.0653 -19.245 30.2211 -22.6454 43.0417 -7.2639 30.0385 -4.61086 -20.4367 TIMING: 2639800 CPU: 7873.67, 0.00297704/step Wall: 7873.67, 0.00297704/step, 1.95178 hours remaining, 206.222656 MB of memory in use. ENERGY: 2639800 760.5469 2111.7629 1923.5233 100.3140 -205947.8719 17643.9822 0.0000 0.0000 34247.0953 -149160.6472 299.0884 -183407.7426 -149065.0076 299.4031 -4.5493 26.7508 557094.8699 4.1780 4.1799 PRESSURE: 2640000 380.123 -198.577 -99.6203 -198.579 -104.113 39.4992 -99.62 39.4992 -270.366 GPRESSURE: 2640000 383.029 -162.183 -26.3599 -206.959 -82.6381 -29.903 -93.1112 57.9708 -210.564 PRESSAVG: 2640000 75.9567 -44.341 38.4405 -44.341 -28.0734 -34.1536 38.4405 -34.1536 -24.3523 GPRESSAVG: 2640000 76.4664 -44.8881 37.6076 -44.9674 -28.7345 -31.6183 39.0525 -35.8088 -24.5869 TIMING: 2640000 CPU: 7874.26, 0.00295537/step Wall: 7874.26, 0.00295537/step, 1.93741 hours remaining, 206.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2640000 769.8216 2097.4934 1955.0278 106.3799 -206414.2757 17981.4923 0.0000 0.0000 34309.0747 -149194.9860 299.6297 -183504.0607 -149096.8106 299.2222 1.8815 29.9425 557854.6762 7.8437 7.7150 PRESSURE: 2640200 37.1276 -22.3396 -25.9589 -22.3399 99.0793 -13.2231 -25.9588 -13.2228 162.768 GPRESSURE: 2640200 98.6496 -11.6933 39.8086 14.1478 107.052 -44.7434 -39.9135 2.16937 192.27 PRESSAVG: 2640200 33.9291 -51.1412 -8.37949 -51.1412 -24.6824 1.84 -8.37956 1.84012 -19.5123 GPRESSAVG: 2640200 34.1672 -52.2499 -6.94974 -49.5919 -25.3949 1.5627 -9.05373 2.97549 -18.1995 TIMING: 2640200 CPU: 7874.85, 0.00295197/step Wall: 7874.85, 0.00295197/step, 1.93502 hours remaining, 206.222656 MB of memory in use. ENERGY: 2640200 758.3384 2074.9581 1941.1644 107.7099 -206440.9366 17998.5390 0.0000 0.0000 34489.0445 -149071.1822 301.2014 -183560.2267 -148965.0459 300.3964 99.6582 132.6573 559018.4884 -3.4219 -3.1424 LDB: ============= START OF LOAD BALANCING ============== 7878.4 LDB: ============== END OF LOAD BALANCING =============== 7878.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7878.4 LDB: ============= START OF LOAD BALANCING ============== 7878.69 LDB: Largest compute 4773 load 0.028348 is 24.0% of average load 0.118279 LDB: Average compute 0.001727 is 1.5% of average load 0.118279 LDB: TIME 7878.7 LOAD: AVG 0.118279 MAX 0.20115 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 7878.7 LOAD: AVG 0.118279 MAX 0.20115 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: TIME 7878.7 LOAD: AVG 0.118279 MAX 0.20115 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7878.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7878.7 PRESSURE: 2640400 -168.579 -131.133 144.218 -131.134 -3.58721 14.882 144.219 14.8826 -344.664 GPRESSURE: 2640400 -166.278 -105.195 197.535 -98.867 50.5819 44.1917 109.147 -19.2301 -296.985 PRESSAVG: 2640400 -62.8558 -4.98582 49.1381 -4.98588 -6.55061 14.4492 49.138 14.4493 -11.9496 GPRESSAVG: 2640400 -62.7259 -4.53113 48.5248 -5.40623 -5.88387 11.5197 50.8866 13.704 -12.5469 TIMING: 2640400 CPU: 7875.45, 0.00299663/step Wall: 7875.45, 0.00299663/step, 1.96412 hours remaining, 205.820312 MB of memory in use. ENERGY: 2640400 802.8545 2121.7373 1949.2783 108.6595 -206168.9365 17717.1782 0.0000 0.0000 34391.3151 -149077.9135 300.3479 -183469.2286 -148974.0852 300.2320 -172.2767 -137.5606 557748.5388 -27.1187 -27.0522 PRESSURE: 2640600 -19.3176 -111.064 8.84473 -111.065 -108.874 135.051 8.84437 135.052 131.481 GPRESSURE: 2640600 72.6766 -39.8053 20.0181 -169.868 -127.398 117.895 70.1545 159.639 157.615 PRESSAVG: 2640600 38.0613 -20.3067 10.1408 -20.3068 -22.5103 26.0676 10.1408 26.0676 13.2759 GPRESSAVG: 2640600 37.2021 -20.1042 8.50664 -19.6637 -22.0547 28.4531 10.0804 26.3296 13.1041 TIMING: 2640600 CPU: 7876.04, 0.00294429/step Wall: 7876.04, 0.00294429/step, 1.92966 hours remaining, 206.019531 MB of memory in use. ENERGY: 2640600 768.9754 2089.1732 1947.2142 118.3579 -206390.1887 17909.7079 0.0000 0.0000 34437.2141 -149119.5459 300.7488 -183556.7601 -149025.5485 300.3020 1.0965 34.2980 556452.2097 9.6090 9.4172 PRESSURE: 2640800 -62.1019 99.0181 62.0308 99.0188 -31.1141 143.214 62.0309 143.212 -23.8345 GPRESSURE: 2640800 37.9686 129.424 6.80342 -2.76841 -15.6361 17.38 75.2217 204.098 -39.4278 PRESSAVG: 2640800 -23.4566 -14.7908 -18.3124 -14.7908 2.11859 45.8614 -18.3124 45.8614 14.1338 GPRESSAVG: 2640800 -22.3229 -14.8052 -16.236 -15.4165 0.942001 45.0138 -20.3035 45.6159 14.0007 TIMING: 2640800 CPU: 7876.63, 0.00295418/step Wall: 7876.63, 0.00295418/step, 1.93597 hours remaining, 206.019531 MB of memory in use. ENERGY: 2640800 720.5495 2025.0620 1961.4977 115.4192 -205962.0135 17699.7612 0.0000 0.0000 34317.0484 -149122.6754 299.6993 -183439.7239 -149017.7646 300.0392 -39.0168 -5.6984 557080.1233 -2.4014 -2.4601 PRESSURE: 2641000 223.833 142.959 151.322 142.959 129.226 -164.462 151.321 -164.46 152.501 GPRESSURE: 2641000 229.194 95.5026 176.061 69.3784 190.794 -89.8451 122.655 -154.516 181.82 PRESSAVG: 2641000 14.231 26.5473 -32.5093 26.5473 -39.7867 -14.1623 -32.5094 -14.1624 0.116826 GPRESSAVG: 2641000 13.6539 25.2246 -32.8546 26.5246 -38.9937 -14.4067 -31.0469 -13.8687 -0.0797275 TIMING: 2641000 CPU: 7877.23, 0.00297457/step Wall: 7877.23, 0.00297457/step, 1.94917 hours remaining, 206.019531 MB of memory in use. ENERGY: 2641000 755.7727 2148.4572 1905.0348 126.3128 -206635.2856 18062.5086 0.0000 0.0000 34507.4671 -149129.7324 301.3623 -183637.1995 -149032.6723 300.3946 168.5199 200.6025 555640.3109 -8.4796 -8.4731 PRESSURE: 2641200 -51.5292 94.5425 89.3293 94.5418 -460.602 87.2454 89.3309 87.2446 -229.476 GPRESSURE: 2641200 -30.2116 -0.424337 14.5091 101.9 -446.675 217.892 121.852 -15.9908 -173.454 PRESSAVG: 2641200 63.4726 3.77391 46.6681 3.77393 -58.6347 -17.8514 46.6681 -17.8513 -20.1621 GPRESSAVG: 2641200 64.1878 3.50712 47.9155 4.38746 -60.1695 -17.0504 45.5153 -20.2675 -19.2573 TIMING: 2641200 CPU: 7877.82, 0.00298171/step Wall: 7877.82, 0.00298171/step, 1.95368 hours remaining, 206.019531 MB of memory in use. ENERGY: 2641200 791.6580 2064.6546 1927.0715 122.7559 -206071.4981 17468.6580 0.0000 0.0000 34347.8644 -149348.8357 299.9684 -183696.7000 -149255.3254 299.6315 -247.2026 -216.7800 557056.5532 -5.1080 -5.0797 PRESSURE: 2641400 -116.259 -30.7399 135.376 -30.7398 49.7457 -20.8416 135.375 -20.8393 -302.882 GPRESSURE: 2641400 -86.0329 -98.8588 157.902 38.0683 68.6548 40.4946 104.839 9.02924 -250.632 PRESSAVG: 2641400 2.48615 13.5845 37.6051 13.5845 -19.8099 -26.3469 37.605 -26.3468 33.2806 GPRESSAVG: 2641400 1.81582 15.1612 36.5575 12.4464 -18.9891 -26.1416 37.8078 -24.7256 32.7015 TIMING: 2641400 CPU: 7878.42, 0.00298071/step Wall: 7878.42, 0.00298071/step, 1.95286 hours remaining, 206.019531 MB of memory in use. ENERGY: 2641400 769.4350 2070.5008 1955.9867 112.9386 -205903.1150 17677.1195 0.0000 0.0000 34026.1327 -149291.0017 297.1587 -183317.1344 -149197.5411 298.7809 -123.1317 -89.3368 557133.7622 5.3189 5.1761 PRESSURE: 2641600 -194.162 -129.446 -87.122 -129.445 -36.524 2.15205 -87.1204 2.15367 -79.0483 GPRESSURE: 2641600 -131.018 -136.118 -155.167 -147.503 41.036 7.41391 -59.3929 -11.2458 -121.534 PRESSAVG: 2641600 -38.0421 -55.7957 61.3386 -55.7956 4.24253 -2.73261 61.3385 -2.73254 22.4514 GPRESSAVG: 2641600 -37.2993 -55.964 61.499 -55.7126 4.04342 -3.66923 60.6814 -0.928095 21.9035 TIMING: 2641600 CPU: 7879.01, 0.0029475/step Wall: 7879.01, 0.0029475/step, 1.93094 hours remaining, 206.019531 MB of memory in use. ENERGY: 2641600 734.7981 2093.9767 1928.5179 111.5105 -206305.9880 17616.9609 0.0000 0.0000 34415.4218 -149404.8021 300.5584 -183820.2239 -149305.7021 299.0811 -103.2449 -70.5053 556523.1546 -3.7827 -3.7841 PRESSURE: 2641800 -5.42697 91.8203 -33.7437 91.82 -25.6753 1.63932 -33.7451 1.63909 -75.1471 GPRESSURE: 2641800 47.493 -17.4913 -22.2278 98.3234 -11.7582 -92.5225 7.82143 90.3805 -49.709 PRESSAVG: 2641800 11.1353 -31.4707 -35.5451 -31.4707 -37.7632 -31.0506 -35.5451 -31.0506 17.277 GPRESSAVG: 2641800 10.1102 -30.448 -37.6893 -32.9591 -37.116 -31.2795 -32.2461 -32.4784 17.4512 TIMING: 2641800 CPU: 7879.6, 0.0029533/step Wall: 7879.6, 0.00295329/step, 1.93457 hours remaining, 206.019531 MB of memory in use. ENERGY: 2641800 774.7221 2056.2702 1919.5048 121.0283 -206439.5462 17785.6481 0.0000 0.0000 34413.7212 -149368.6514 300.5436 -183782.3726 -149268.5394 298.9073 -35.4164 -4.6581 556215.2360 -3.1170 -3.1849 PRESSURE: 2642000 65.5765 142.791 -13.2148 142.79 -27.5064 209.938 -13.2142 209.939 309.033 GPRESSURE: 2642000 62.1171 130.455 -96.1457 173.226 -9.80138 156.079 -18.2767 302.281 385.957 PRESSAVG: 2642000 -38.5147 -53.177 -32.4636 -53.177 13.3872 47.0312 -32.4636 47.0311 41.023 GPRESSAVG: 2642000 -37.703 -53.4232 -30.3334 -53.6491 13.1237 47.7428 -35.0676 47.2612 40.533 TIMING: 2642000 CPU: 7880.19, 0.00294861/step Wall: 7880.19, 0.00294861/step, 1.93134 hours remaining, 206.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2642000 730.0732 2045.8258 1935.0051 106.6654 -206039.0042 17834.0606 0.0000 0.0000 34092.0091 -149295.3648 297.7340 -183387.3740 -149197.1262 299.1805 115.7009 146.0910 557875.5163 5.2985 5.3179 PRESSURE: 2642200 -19.5419 14.3163 138.314 14.3166 150.006 80.9185 138.314 80.918 -231.331 GPRESSURE: 2642200 36.9011 52.4329 95.8759 -26.6024 172.605 135.207 77.2066 95.4801 -209.998 PRESSAVG: 2642200 -12.4961 -9.30892 -9.33081 -9.3089 29.0113 21.83 -9.33078 21.83 -37.1529 GPRESSAVG: 2642200 -11.7851 -9.59627 -7.37339 -7.55705 29.173 22.0007 -11.7545 22.1258 -37.4438 TIMING: 2642200 CPU: 7880.78, 0.00297411/step Wall: 7880.78, 0.00297411/step, 1.94788 hours remaining, 206.261719 MB of memory in use. ENERGY: 2642200 756.4851 2085.5133 1926.2492 104.9199 -206191.6473 17853.1686 0.0000 0.0000 34169.2461 -149296.0651 298.4085 -183465.3112 -149204.5529 299.4172 -33.6223 -0.1640 557422.0798 -6.8792 -6.6853 PRESSURE: 2642400 -92.5359 121.51 -149.721 121.511 20.8118 -151.749 -149.721 -151.75 -107.001 GPRESSURE: 2642400 -25.3873 58.8828 -146.368 128.268 52.9732 -136.585 -103.667 -195.641 -115.104 PRESSAVG: 2642400 -48.2527 13.97 -39.4993 13.97 20.5005 17.0466 -39.4993 17.0466 2.44762 GPRESSAVG: 2642400 -49.0007 13.5957 -41.0379 14.4286 19.5749 16.327 -35.9952 17.1695 3.69878 TIMING: 2642400 CPU: 7881.38, 0.00296458/step Wall: 7881.38, 0.00296458/step, 1.94147 hours remaining, 206.261719 MB of memory in use. ENERGY: 2642400 757.3558 2008.8463 1923.5735 115.6945 -206271.6481 17800.0877 0.0000 0.0000 34293.4901 -149372.6001 299.4936 -183666.0902 -149276.0610 298.8790 -59.5751 -29.1728 557173.3497 -8.4349 -8.5757 PRESSURE: 2642600 -125.436 -132.46 15.5195 -132.459 -263.308 -63.5669 15.5201 -63.5665 -319.818 GPRESSURE: 2642600 -149.445 -195.438 -22.7843 -74.0592 -194.827 -14.3569 -42.0829 -18.1338 -273.434 PRESSAVG: 2642600 17.2101 -12.3661 -93.5338 -12.3661 39.0217 -34.3111 -93.5339 -34.3111 -15.6646 GPRESSAVG: 2642600 16.7433 -12.6773 -91.3299 -12.8724 39.2364 -33.5795 -97.7735 -34.3231 -15.3206 TIMING: 2642600 CPU: 7881.97, 0.002948/step Wall: 7881.97, 0.002948/step, 1.93045 hours remaining, 206.261719 MB of memory in use. ENERGY: 2642600 726.4952 2100.4065 1922.4933 123.0988 -205564.3335 17446.4284 0.0000 0.0000 34256.6732 -148988.7381 299.1720 -183245.4113 -148886.9930 299.6652 -236.1873 -205.9022 558853.9188 13.5224 13.5530 PRESSURE: 2642800 -36.6548 -156.726 -34.4203 -156.726 299.517 -29.1639 -34.4204 -29.1638 -104.428 GPRESSURE: 2642800 13.5969 -217.917 16.2728 -113.998 337.582 -19.2836 -97.8604 -30.6184 -116.907 PRESSAVG: 2642800 -8.84034 -21.025 -15.2244 -21.0251 25.3333 -37.5872 -15.2245 -37.5872 33.2843 GPRESSAVG: 2642800 -10.041 -20.4624 -17.7941 -20.3929 25.9161 -39.133 -11.8325 -37.6922 33.6623 TIMING: 2642800 CPU: 7882.55, 0.00294218/step Wall: 7882.55, 0.00294218/step, 1.92647 hours remaining, 206.261719 MB of memory in use. ENERGY: 2642800 675.5432 1999.5577 1924.3941 116.5491 -205593.7791 17649.2613 0.0000 0.0000 34301.7559 -148926.7179 299.5658 -183228.4738 -148832.3207 300.0650 52.8114 78.0904 557060.7115 16.5924 16.5125 PRESSURE: 2643000 -152.062 -94.5685 81.2159 -94.5691 15.329 89.3943 81.2156 89.3928 -119.517 GPRESSURE: 2643000 -81.0456 -50.4226 35.9668 -108.733 -8.83248 101.172 26.1413 13.7292 -69.5284 PRESSAVG: 2643000 -10.5484 -23.625 -22.2741 -23.6249 7.39195 23.2983 -22.2742 23.2983 -29.8875 GPRESSAVG: 2643000 -8.83889 -22.9661 -23.7159 -23.0318 6.19728 22.7956 -21.9429 25.3965 -30.7491 TIMING: 2643000 CPU: 7883.14, 0.00294279/step Wall: 7883.14, 0.00294279/step, 1.92671 hours remaining, 206.261719 MB of memory in use. ENERGY: 2643000 769.0287 2075.6333 1930.8306 109.2476 -205892.0785 17612.3221 0.0000 0.0000 34446.2723 -148948.7440 300.8279 -183395.0162 -148850.1253 299.9411 -85.4166 -53.1355 557572.7011 -11.0146 -11.1302 PRESSURE: 2643200 208.122 -10.6391 16.7752 -10.6399 334.352 -89.9765 16.7751 -89.9755 260.321 GPRESSURE: 2643200 260.995 -10.7078 26.4617 90.7724 355.584 -42.2392 76.8061 -84.9879 282.023 PRESSAVG: 2643200 46.8293 -45.0468 -30.1161 -45.0467 11.3119 21.973 -30.1161 21.9729 -48.8088 GPRESSAVG: 2643200 46.1181 -45.4674 -28.3041 -45.8394 13.2563 24.1677 -31.0774 19.4687 -50.0134 TIMING: 2643200 CPU: 7883.74, 0.00295991/step Wall: 7883.74, 0.00295991/step, 1.93776 hours remaining, 206.261719 MB of memory in use. ENERGY: 2643200 751.6946 2101.3041 1942.0758 125.7731 -206592.6774 18226.6121 0.0000 0.0000 34457.6765 -148987.5412 300.9275 -183445.2178 -148894.6246 299.6068 267.5986 299.5341 555836.6344 3.1108 3.1203 PRESSURE: 2643400 -187.85 147.445 20.3579 147.444 -90.0496 -107.128 20.3589 -107.128 -141.243 GPRESSURE: 2643400 -124.024 118.634 6.2047 193.003 -71.2877 -131.338 53.0255 -50.5172 -118.882 PRESSAVG: 2643400 22.0346 -25.194 -2.37468 -25.1941 36.8585 6.38624 -2.3747 6.38628 2.19071 GPRESSAVG: 2643400 22.952 -26.007 -2.04713 -26.0314 35.2323 4.609 -2.38419 6.06332 2.85497 TIMING: 2643400 CPU: 7884.33, 0.00295051/step Wall: 7884.33, 0.00295051/step, 1.93144 hours remaining, 206.261719 MB of memory in use. ENERGY: 2643400 741.6386 2057.3755 1931.2273 113.4740 -205686.2727 17514.9056 0.0000 0.0000 34333.9668 -148993.6849 299.8471 -183327.6517 -148894.7088 300.0156 -139.7142 -104.7312 557317.2162 20.3613 20.3464 PRESSURE: 2643600 341.286 71.8595 -11.977 71.8601 8.85802 9.89559 -11.9767 9.89439 35.9217 GPRESSURE: 2643600 406.54 79.4219 10.9414 129.431 1.72177 26.7668 -7.92676 -50.0883 62.8123 PRESSAVG: 2643600 -10.2964 46.0873 -22.7922 46.0873 -63.5942 -43.0284 -22.7923 -43.0284 14.3902 GPRESSAVG: 2643600 -12.214 46.005 -23.2994 46.5833 -61.4442 -43.8947 -23.179 -42.0947 13.9295 TIMING: 2643600 CPU: 7884.92, 0.00296284/step Wall: 7884.92, 0.00296284/step, 1.93934 hours remaining, 206.261719 MB of memory in use. ENERGY: 2643600 736.1506 2058.6280 1929.4698 121.3406 -206372.5199 18046.6578 0.0000 0.0000 34161.7901 -149318.4830 298.3434 -183480.2731 -149218.0316 298.6348 128.6886 157.0248 555743.9526 -19.8335 -19.9095 PRESSURE: 2643800 -31.0911 111.713 80.8486 111.713 -239.663 83.5894 80.8496 83.5878 81.6403 GPRESSURE: 2643800 -0.391227 115.068 71.8363 166.792 -174.172 114.924 53.318 134.292 90.9857 PRESSAVG: 2643800 70.8037 40.9916 27.8219 40.9916 17.6699 -36.7469 27.822 -36.747 -33.8402 GPRESSAVG: 2643800 70.5041 42.244 27.2155 41.3282 15.1137 -34.7222 28.2871 -35.8006 -31.1792 TIMING: 2643800 CPU: 7885.51, 0.00295447/step Wall: 7885.51, 0.00295447/step, 1.9337 hours remaining, 206.261719 MB of memory in use. ENERGY: 2643800 761.4180 2047.7626 1970.1956 125.0099 -206286.3166 17792.3399 0.0000 0.0000 34229.0785 -149360.5120 298.9311 -183589.5905 -149264.0641 298.9394 -63.0379 -27.8592 556966.3544 18.2111 18.1462 PRESSURE: 2644000 42.6838 -111.962 -71.1029 -111.961 -133.386 66.6475 -71.1035 66.6464 16.7583 GPRESSURE: 2644000 85.537 -186.094 -55.9654 -74.0592 -139.52 114.644 -107.402 23.8257 71.2089 PRESSAVG: 2644000 66.1414 -46.3022 47.5825 -46.3021 -12.2248 5.96887 47.5825 5.96894 -7.51936 GPRESSAVG: 2644000 66.674 -47.9421 47.8523 -47.5858 -10.7756 4.90093 46.6536 5.02853 -9.27875 TIMING: 2644000 CPU: 7886.1, 0.00296177/step Wall: 7886.1, 0.00296177/step, 1.93831 hours remaining, 206.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2644000 749.3527 2034.5109 1947.1924 116.4219 -206116.7681 17618.6940 0.0000 0.0000 34388.8839 -149261.7123 300.3267 -183650.5962 -149163.4375 299.5054 -24.6481 5.7420 556795.1927 15.4658 15.5399 PRESSURE: 2644200 -221.465 -198.406 -55.0406 -198.408 -445.484 117.385 -55.0404 117.387 -291.785 GPRESSURE: 2644200 -207.023 -192.844 38.6839 -165.873 -374.173 106.032 -100.309 88.0273 -283.026 PRESSAVG: 2644200 59.3499 -32.3153 -1.60968 -32.3154 -45.412 26.7579 -1.6096 26.758 16.5701 GPRESSAVG: 2644200 59.801 -29.8757 -1.4692 -31.335 -45.444 26.198 -0.955204 26.0726 16.3565 TIMING: 2644200 CPU: 7886.69, 0.00296895/step Wall: 7886.69, 0.00296895/step, 1.94285 hours remaining, 206.261719 MB of memory in use. ENERGY: 2644200 769.4420 2064.1238 1914.0809 106.7478 -205861.3247 17439.1382 0.0000 0.0000 34315.9000 -149251.8920 299.6893 -183567.7920 -149153.8801 299.4931 -319.5782 -288.0740 557895.4501 10.1693 10.2379 LDB: ============= START OF LOAD BALANCING ============== 7890.24 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7890.24 LDB: =============== DONE WITH MIGRATION ================ 7890.24 LDB: ============= START OF LOAD BALANCING ============== 7890.54 LDB: Largest compute 4773 load 0.028623 is 24.2% of average load 0.118203 LDB: Average compute 0.001733 is 1.5% of average load 0.118203 LDB: TIME 7890.55 LOAD: AVG 0.118203 MAX 0.202764 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 7890.55 LOAD: AVG 0.118203 MAX 0.202764 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.707 MB LDB: TIME 7890.55 LOAD: AVG 0.118203 MAX 0.202764 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.707 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7890.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7890.55 PRESSURE: 2644400 -114.633 -71.9329 91.6216 -71.9339 -234.32 -58.2231 91.6208 -58.2228 -443.545 GPRESSURE: 2644400 -57.1386 -90.0804 71.1676 -13.3498 -240.527 41.5127 89.2216 -39.0334 -390.943 PRESSAVG: 2644400 47.0951 -40.9431 38.6515 -40.9432 -73.1647 4.50054 38.6515 4.5005 50.2321 GPRESSAVG: 2644400 47.2612 -44.052 38.558 -41.2028 -73.0563 4.66047 37.8643 5.07639 50.1252 TIMING: 2644400 CPU: 7887.3, 0.00303994/step Wall: 7887.3, 0.00303994/step, 1.98913 hours remaining, 207.246094 MB of memory in use. ENERGY: 2644400 759.3262 2053.5842 1928.6853 117.9835 -205737.7414 17271.5213 0.0000 0.0000 34170.7108 -149435.9302 298.4213 -183606.6410 -149338.4870 299.2014 -264.1661 -229.5362 558682.5140 8.0542 8.1100 PRESSURE: 2644600 46.0731 -122.151 -130.969 -122.15 -63.8662 -38.4436 -130.969 -38.4436 -120.393 GPRESSURE: 2644600 106.697 -93.2459 -55.239 -140.573 -40.3992 13.6513 -174.926 -31.6409 -101.854 PRESSAVG: 2644600 13.1903 -70.6429 21.5861 -70.6429 -11.3325 -47.3133 21.5861 -47.3133 2.35657 GPRESSAVG: 2644600 12.6147 -69.8027 20.9516 -69.7574 -10.5425 -46.2074 21.6166 -47.7798 1.98042 TIMING: 2644600 CPU: 7887.9, 0.00296559/step Wall: 7887.9, 0.00296559/step, 1.94032 hours remaining, 207.246094 MB of memory in use. ENERGY: 2644600 718.9816 1982.8194 1944.4341 111.4661 -206054.7696 17488.7791 0.0000 0.0000 34409.8578 -149398.4315 300.5098 -183808.2894 -149304.5299 298.6226 -46.0621 -11.8521 555275.7419 1.4048 1.3509 PRESSURE: 2644800 102.91 22.2615 101.232 22.2621 -162.323 -1.34395 101.231 -1.34548 -206.873 GPRESSURE: 2644800 31.3386 42.3642 130.068 -21.3553 -80.6282 19.8466 33.5492 -24.499 -132.505 PRESSAVG: 2644800 0.0207634 -12.5214 41.676 -12.5215 25.4915 -64.4227 41.676 -64.4227 -1.529 GPRESSAVG: 2644800 -0.246487 -9.19552 41.6135 -13.5661 24.8668 -64.2605 44.7591 -63.6639 -0.656076 TIMING: 2644800 CPU: 7888.49, 0.00296248/step Wall: 7888.49, 0.00296248/step, 1.93812 hours remaining, 207.246094 MB of memory in use. ENERGY: 2644800 730.2072 2017.5909 1934.6908 116.8026 -205995.3867 17509.1136 0.0000 0.0000 34351.4076 -149335.5740 299.9994 -183686.9816 -149245.3768 299.3846 -88.7620 -60.5981 556260.3670 7.9944 7.9881 PRESSURE: 2645000 -185.58 -104.597 84.6512 -104.598 148.001 -63.9058 84.6518 -63.9064 -95.3208 GPRESSURE: 2645000 -91.4682 -129.183 121.39 -74.3463 157.119 -43.2072 47.3138 -113.326 -91.1209 PRESSAVG: 2645000 20.166 -9.57977 16.956 -9.57991 -39.116 0.769189 16.9559 0.769299 -6.87253 GPRESSAVG: 2645000 20.4795 -12.4827 18.34 -7.06805 -39.6039 -0.309253 15.335 -0.285006 -7.06093 TIMING: 2645000 CPU: 7889.08, 0.00294194/step Wall: 7889.08, 0.00294194/step, 1.92452 hours remaining, 207.246094 MB of memory in use. ENERGY: 2645000 737.4603 2099.8247 1928.5606 122.5304 -206213.6088 17755.5530 0.0000 0.0000 34267.6050 -149302.0748 299.2675 -183569.6798 -149205.9538 299.7095 -44.3001 -8.4901 556724.9493 -8.6075 -8.7284 PRESSURE: 2645200 -176.129 1.95445 13.431 1.95404 44.7132 54.0436 13.4307 54.0434 -26.0393 GPRESSURE: 2645200 -126.209 -29.6813 88.8925 -11.2184 71.5145 78.5087 -21.8497 58.7218 -1.36754 PRESSAVG: 2645200 -27.2121 -17.3103 18.8082 -17.3105 1.10195 16.2852 18.8081 16.2852 54.7891 GPRESSAVG: 2645200 -26.8334 -15.9053 20.1112 -19.7075 0.0518319 16.6467 17.089 15.7035 55.7007 TIMING: 2645200 CPU: 7889.67, 0.00295547/step Wall: 7889.67, 0.00295547/step, 1.93321 hours remaining, 207.246094 MB of memory in use. ENERGY: 2645200 748.9190 2066.9893 1899.2957 135.3234 -206195.5789 17778.9776 0.0000 0.0000 34358.0430 -149208.0308 300.0573 -183566.0738 -149116.8118 298.7989 -52.4851 -18.6872 556961.0892 9.5596 9.6397 PRESSURE: 2645400 2.38165 -101.181 -113.974 -101.182 154.714 -198.186 -113.973 -198.185 -203.477 GPRESSURE: 2645400 11.9429 -72.7354 -122.093 -151.59 189.333 -268.314 -171.844 -71.8709 -160.484 PRESSAVG: 2645400 70.696 14.2088 5.84979 14.2088 -44.3042 -32.2645 5.84976 -32.2645 -28.7138 GPRESSAVG: 2645400 70.9704 12.7136 3.70885 15.3084 -44.026 -31.594 7.53753 -31.3377 -29.559 TIMING: 2645400 CPU: 7890.26, 0.00297907/step Wall: 7890.26, 0.00297907/step, 1.94848 hours remaining, 207.246094 MB of memory in use. ENERGY: 2645400 742.2579 2079.1831 1913.5155 127.0060 -205892.2927 17567.3434 0.0000 0.0000 34119.9639 -149343.0229 297.9781 -183462.9868 -149242.7181 299.2872 -15.4604 13.5971 556445.3903 -0.7740 -0.8715 PRESSURE: 2645600 118.262 116.367 104.465 116.366 -58.04 -35.373 104.466 -35.3725 41.3346 GPRESSURE: 2645600 112.461 94.3675 1.20659 158.034 -32.4952 -16.5543 184.941 -44.0934 130.222 PRESSAVG: 2645600 50.9738 53.2994 57.6217 53.2994 -43.2836 -79.5195 57.6217 -79.5194 9.52697 GPRESSAVG: 2645600 50.9735 53.1573 55.9192 51.4875 -43.1496 -79.4152 58.609 -80.2043 9.8044 TIMING: 2645600 CPU: 7890.85, 0.00294944/step Wall: 7890.85, 0.00294944/step, 1.92893 hours remaining, 207.246094 MB of memory in use. ENERGY: 2645600 731.9056 2088.7498 1917.3507 104.4658 -206333.1245 17758.1331 0.0000 0.0000 34303.6068 -149428.9126 299.5819 -183732.5194 -149340.0877 298.7005 33.8523 70.0628 556661.9834 5.7391 5.8761 PRESSURE: 2645800 -159.403 -116.272 91.2518 -116.271 -236.579 105.287 91.251 105.285 -157.002 GPRESSURE: 2645800 -168.285 -52.8303 7.66982 -257.52 -105.336 31.1122 58.8395 213.554 -178.908 PRESSAVG: 2645800 -1.74486 -17.4464 6.97537 -17.4463 -9.79385 -19.1622 6.97539 -19.1624 23.2443 GPRESSAVG: 2645800 -1.62072 -16.6288 7.83271 -16.5783 -9.79837 -20.725 6.1475 -18.996 23.2545 TIMING: 2645800 CPU: 7891.45, 0.00297262/step Wall: 7891.45, 0.00297261/step, 1.94392 hours remaining, 207.246094 MB of memory in use. ENERGY: 2645800 777.5849 2061.1938 1904.9442 105.2290 -206447.4936 18012.3673 0.0000 0.0000 34236.6848 -149349.4896 298.9975 -183586.1744 -149251.9722 299.3059 -184.3282 -150.8431 558806.3416 3.9019 3.9451 PRESSURE: 2646000 -170.127 2.09781 -275.908 2.09828 144.053 -27.3714 -275.908 -27.3729 -94.5196 GPRESSURE: 2646000 -139.427 -57.0197 -306.413 62.0758 180.651 -77.4993 -208.921 60.843 -64.0988 PRESSAVG: 2646000 23.9768 -10.1094 20.1423 -10.1093 32.7616 -31.2687 20.1423 -31.2687 -46.3165 GPRESSAVG: 2646000 23.7292 -9.5752 22.0791 -11.1652 33.2986 -31.4522 18.856 -30.7862 -46.0483 TIMING: 2646000 CPU: 7892.04, 0.00296224/step Wall: 7892.04, 0.00296224/step, 1.93698 hours remaining, 207.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2646000 710.9858 2094.7298 1922.8071 113.7146 -206167.6484 17720.4111 0.0000 0.0000 34195.4461 -149409.5537 298.6373 -183604.9998 -149310.6534 298.9813 -40.1977 -7.6250 558429.1743 3.4740 3.6599 PRESSURE: 2646200 8.70295 144.609 -152.174 144.609 278.926 -17.7634 -152.175 -17.7638 -98.2335 GPRESSURE: 2646200 74.5776 225.861 -82.3699 130.132 225.731 -53.4275 -158.915 -3.44834 -25.41 PRESSAVG: 2646200 -14.536 21.5178 8.8555 21.5177 8.3773 -75.4888 8.85542 -75.4889 -9.4999 GPRESSAVG: 2646200 -13.0248 22.2316 9.18454 22.2571 7.95878 -74.6803 8.27926 -75.4883 -10.0857 TIMING: 2646200 CPU: 7892.64, 0.00297947/step Wall: 7892.64, 0.00297947/step, 1.94808 hours remaining, 207.246094 MB of memory in use. ENERGY: 2646200 756.6895 2079.7056 1917.2364 125.7575 -206370.0325 17881.9965 0.0000 0.0000 34136.7624 -149471.8845 298.1248 -183608.6469 -149377.1495 298.7733 63.1317 91.6329 558875.6423 -5.2195 -5.0506 PRESSURE: 2646400 -84.0563 -3.35786 75.1049 -3.35765 -195.193 11.0157 75.1043 11.0162 -88.9866 GPRESSURE: 2646400 -65.2314 -21.0206 76.9009 7.72322 -120.273 14.0151 74.6301 -1.26485 -74.4937 PRESSAVG: 2646400 48.2583 -8.50132 -11.7893 -8.50133 19.1419 -88.5819 -11.7893 -88.5819 -68.9722 GPRESSAVG: 2646400 46.8278 -11.4295 -11.8589 -5.35963 21.5036 -87.6132 -12.0397 -91.2321 -69.9276 TIMING: 2646400 CPU: 7893.24, 0.00299563/step Wall: 7893.24, 0.00299563/step, 1.95848 hours remaining, 207.246094 MB of memory in use. ENERGY: 2646400 774.7787 2121.9005 1933.4880 117.6040 -206207.9366 17605.9853 0.0000 0.0000 34363.0326 -149291.1474 300.1009 -183654.1800 -149197.7177 299.7180 -122.7453 -86.6661 557443.0821 -0.5240 -0.5321 PRESSURE: 2646600 35.1145 42.7264 56.6731 42.7254 -39.9193 -4.62242 56.6722 -4.62259 -94.3257 GPRESSURE: 2646600 80.3011 -106.675 54.2344 85.1485 -21.4267 -0.4432 89.2451 -98.825 -57.5827 PRESSAVG: 2646600 11.7678 -60.2147 -9.24811 -60.2146 -12.3364 -55.3432 -9.2481 -55.3432 -5.50964 GPRESSAVG: 2646600 12.1973 -59.2845 -9.89177 -62.3655 -14.6949 -54.568 -7.31885 -54.3737 -4.39219 TIMING: 2646600 CPU: 7893.83, 0.00296104/step Wall: 7893.83, 0.00296104/step, 1.9357 hours remaining, 207.246094 MB of memory in use. ENERGY: 2646600 744.9335 2087.1528 1918.5801 112.2757 -205997.5039 17826.7328 0.0000 0.0000 34093.4855 -149214.3436 297.7469 -183307.8291 -149113.4479 299.2659 -33.0435 0.4306 556933.9782 -2.0261 -2.2966 PRESSURE: 2646800 189.968 -48.8453 119.17 -48.8444 283.628 87.5599 119.168 87.5596 192.115 GPRESSURE: 2646800 231.037 -75.4196 33.6263 -82.6233 356.157 -3.51106 95.6497 126.924 180.655 PRESSAVG: 2646800 -2.53427 -0.333755 -0.206841 -0.333765 -35.2132 3.27654 -0.206925 3.27647 72.4688 GPRESSAVG: 2646800 -3.05715 0.96187 1.96982 -0.294205 -34.3213 1.5557 -1.95499 3.85828 71.9004 TIMING: 2646800 CPU: 7894.42, 0.00297813/step Wall: 7894.42, 0.00297813/step, 1.9467 hours remaining, 207.246094 MB of memory in use. ENERGY: 2646800 776.7763 2151.0742 1910.6082 119.6011 -206278.1546 18031.6823 0.0000 0.0000 34241.2568 -149047.1557 299.0374 -183288.4125 -148956.2745 299.7009 221.9035 255.9496 557284.0105 11.5738 11.5073 PRESSURE: 2647000 -238.861 -16.2978 2.60416 -16.2982 82.6097 3.56236 2.60473 3.56311 -55.9702 GPRESSURE: 2647000 -212.239 24.9631 75.8099 -50.9438 111.524 -51.5582 -50.338 -54.6655 -30.2676 PRESSAVG: 2647000 44.0435 -13.6899 -14.0776 -13.6899 37.8131 9.08493 -14.0776 9.08487 -79.5124 GPRESSAVG: 2647000 42.4444 -13.3275 -16.0561 -14.9038 38.2295 7.80189 -13.6212 10.5122 -78.5846 TIMING: 2647000 CPU: 7895.01, 0.002956/step Wall: 7895.01, 0.002956/step, 1.93207 hours remaining, 207.246094 MB of memory in use. ENERGY: 2647000 765.4557 2106.5127 1921.8239 116.1022 -205727.5173 17658.1946 0.0000 0.0000 34215.4415 -148943.9868 298.8120 -183159.4282 -148853.0307 299.2901 -70.7404 -43.6610 558316.6813 0.7814 0.6964 PRESSURE: 2647200 -111.458 -87.3893 -42.4123 -87.3891 -90.5176 -147.732 -42.4117 -147.733 9.99587 GPRESSURE: 2647200 -95.1534 -116.819 55.789 -62.2695 -14.7326 -117.231 -28.4745 -146.252 28.4461 PRESSAVG: 2647200 -19.7025 -59.8483 15.6348 -59.8482 54.905 -24.6572 15.6348 -24.6572 -41.7131 GPRESSAVG: 2647200 -18.5159 -60.3611 16.0883 -59.6984 54.0715 -21.8622 13.5806 -25.598 -42.0981 TIMING: 2647200 CPU: 7895.61, 0.0029752/step Wall: 7895.61, 0.0029752/step, 1.94446 hours remaining, 207.246094 MB of memory in use. ENERGY: 2647200 764.5227 2122.6330 1946.8512 116.8296 -206230.9369 17920.7729 0.0000 0.0000 34454.8584 -148904.4692 300.9028 -183359.3276 -148808.8969 300.6891 -63.9931 -27.1466 558454.9997 -2.1702 -2.1808 PRESSURE: 2647400 -139.815 -111.09 7.8925 -111.09 162.505 -18.2829 7.89272 -18.2835 -28.9961 GPRESSURE: 2647400 -134.776 -28.1143 -6.24326 -94.9952 200.562 -7.93556 13.3205 40.6762 26.0338 PRESSAVG: 2647400 0.300563 -27.6167 -33.6812 -27.6166 54.7568 -33.4813 -33.6811 -33.4814 -9.32847 GPRESSAVG: 2647400 0.228758 -28.7307 -36.2095 -27.5225 53.5914 -34.3657 -30.75 -33.8425 -8.41929 TIMING: 2647400 CPU: 7896.2, 0.00295477/step Wall: 7896.2, 0.00295477/step, 1.93094 hours remaining, 207.246094 MB of memory in use. ENERGY: 2647400 756.5837 2069.4477 1950.2061 119.5403 -206044.2061 17808.4160 0.0000 0.0000 34425.4017 -148914.6106 300.6456 -183340.0122 -148815.4231 300.7237 -2.1021 30.6064 556544.4443 15.2430 15.1336 PRESSURE: 2647600 -215.622 71.6344 -8.70142 71.6345 -49.9357 -4.78537 -8.70117 -4.78551 -54.0282 GPRESSURE: 2647600 -206.139 36.8833 -64.806 22.6537 3.04274 -55.2187 -46.0554 22.3006 -16.308 PRESSAVG: 2647600 -21.1506 -7.13213 3.56355 -7.13213 -3.79161 -28.1791 3.56359 -28.179 20.1451 GPRESSAVG: 2647600 -20.6901 -5.9777 4.00335 -8.07982 -3.20227 -28.0165 2.36371 -27.0132 19.2455 TIMING: 2647600 CPU: 7896.79, 0.00297043/step Wall: 7896.79, 0.00297043/step, 1.94101 hours remaining, 207.246094 MB of memory in use. ENERGY: 2647600 790.0893 2058.8804 1939.5367 121.4547 -206186.6969 17887.1117 0.0000 0.0000 34352.1107 -149037.5135 300.0055 -183389.6242 -148935.6232 299.7812 -106.5287 -73.1346 557325.2514 -1.5990 -1.5489 PRESSURE: 2647800 -191.763 15.3594 -104.764 15.3589 -186.164 -108.135 -104.763 -108.135 -74.5781 GPRESSURE: 2647800 -161.986 8.65698 -107.725 -7.94824 -120.798 -120.091 -87.2428 -90.1448 -73.0581 PRESSAVG: 2647800 11.9311 -4.77453 -46.1041 -4.77444 -31.9082 -17.1963 -46.104 -17.1964 42.4937 GPRESSAVG: 2647800 12.1869 -7.73722 -44.9663 -3.79077 -31.952 -19.1834 -45.9218 -17.8502 41.7887 TIMING: 2647800 CPU: 7897.38, 0.00294187/step Wall: 7897.38, 0.00294187/step, 1.92219 hours remaining, 207.246094 MB of memory in use. ENERGY: 2647800 755.2467 2095.5436 1905.0504 130.7680 -206126.3598 17622.2183 0.0000 0.0000 34318.3203 -149299.2126 299.7104 -183617.5329 -149201.6433 299.8354 -150.8350 -118.6142 557003.0635 7.5055 7.3412 PRESSURE: 2648000 237.371 -0.247969 58.6849 -0.248382 -92.5074 -112.013 58.6826 -112.012 73.0535 GPRESSURE: 2648000 242.583 81.4905 159.839 -49.7227 -64.5843 -222.144 -81.9903 -157.938 150.011 PRESSAVG: 2648000 -37.5569 -6.70962 -38.958 -6.70957 -26.3188 -93.1886 -38.958 -93.1886 9.96996 GPRESSAVG: 2648000 -37.6849 -5.46768 -38.1182 -5.73513 -27.9862 -92.32 -39.7933 -92.3579 11.6533 TIMING: 2648000 CPU: 7897.97, 0.00295276/step Wall: 7897.97, 0.00295276/step, 1.92914 hours remaining, 207.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2648000 763.3253 2088.8227 1917.0434 112.6373 -206328.3192 18058.8162 0.0000 0.0000 34145.0936 -149242.5808 298.1976 -183387.6744 -149147.9085 299.3325 72.6390 109.3366 556915.7519 -17.9686 -18.0059 PRESSURE: 2648200 -230.334 -110.987 -48.34 -110.987 -110.709 60.5977 -48.3395 60.5975 -355.644 GPRESSURE: 2648200 -242.872 -89.5356 -58.0221 -100.663 -52.931 48.9251 -12.4847 66.2478 -314.455 PRESSAVG: 2648200 -43.9107 -6.50025 -2.65463 -6.50029 1.46734 -6.38684 -2.65466 -6.38681 11.9184 GPRESSAVG: 2648200 -45.1533 -4.71426 -4.18743 -7.19723 2.92969 -5.18938 -1.45812 -8.67403 11.2888 TIMING: 2648200 CPU: 7898.57, 0.00297086/step Wall: 7898.57, 0.00297086/step, 1.94079 hours remaining, 207.246094 MB of memory in use. ENERGY: 2648200 737.7924 2098.8748 1924.5593 113.2054 -205674.2319 17421.7854 0.0000 0.0000 34221.8625 -149156.1520 298.8680 -183378.0145 -149056.6512 299.4331 -232.2289 -203.4195 557887.7209 -10.1750 -10.3116 LDB: ============= START OF LOAD BALANCING ============== 7902.11 LDB: ============== END OF LOAD BALANCING =============== 7902.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7902.12 LDB: ============= START OF LOAD BALANCING ============== 7902.41 LDB: Largest compute 4773 load 0.028257 is 23.9% of average load 0.118241 LDB: Average compute 0.001725 is 1.5% of average load 0.118241 LDB: TIME 7902.41 LOAD: AVG 0.118241 MAX 0.202246 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.18 MB LDB: TIME 7902.41 LOAD: AVG 0.118241 MAX 0.202246 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.184 MB LDB: TIME 7902.41 LOAD: AVG 0.118241 MAX 0.202246 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.184 MB LDB: ============== END OF LOAD BALANCING =============== 7902.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7902.42 PRESSURE: 2648400 -56.4177 164.778 64.7564 164.776 -112.657 -2.35299 64.7566 -2.35336 37.0819 GPRESSURE: 2648400 -24.1328 185.256 26.0392 85.2076 -103.764 -49.5371 110.323 -56.5701 69.5296 PRESSAVG: 2648400 4.05191 -20.1112 21.3689 -20.1112 58.3271 22.3772 21.3689 22.3771 -84.5226 GPRESSAVG: 2648400 5.68548 -22.2123 23.1083 -19.5824 57.6154 21.5573 21.4613 22.2776 -85.2036 TIMING: 2648400 CPU: 7899.17, 0.00301206/step Wall: 7899.17, 0.00301206/step, 1.96754 hours remaining, 207.949219 MB of memory in use. ENERGY: 2648400 714.4657 2100.6879 1910.8959 111.4976 -205946.6133 17708.9743 0.0000 0.0000 34177.5088 -149222.5831 298.4807 -183400.0919 -149126.8751 298.8533 -43.9976 -19.4557 558045.0309 -7.3812 -7.3009 PRESSURE: 2648600 -172.726 8.81618 43.0743 8.81604 54.0173 -61.7702 43.0746 -61.7715 135.483 GPRESSURE: 2648600 -168.252 13.6503 25.3053 61.1373 81.2903 -30.4524 97.3039 -113.792 206.252 PRESSAVG: 2648600 -16.2741 -11.0148 0.675577 -11.0147 22.037 -2.026 0.675567 -2.02595 4.10136 GPRESSAVG: 2648600 -16.5427 -9.63211 1.45834 -11.2587 22.3048 -1.26356 -0.554351 -0.503869 4.15517 TIMING: 2648600 CPU: 7899.76, 0.00294642/step Wall: 7899.76, 0.00294642/step, 1.92451 hours remaining, 207.949219 MB of memory in use. ENERGY: 2648600 745.9070 2049.8950 1954.1279 125.7708 -206274.2798 17835.4428 0.0000 0.0000 34224.2177 -149338.9186 298.8886 -183563.1363 -149244.6007 299.0038 5.5915 39.7636 556852.7866 3.2881 3.3058 PRESSURE: 2648800 -168.092 -0.409331 1.17632 -0.409572 -94.5512 22.869 1.17665 22.8685 -202.734 GPRESSURE: 2648800 -100.5 -47.0701 24.333 -82.7196 -59.5215 -64.4171 -27.7525 72.8944 -196.408 PRESSAVG: 2648800 -22.3102 4.66666 23.5644 4.66663 18.681 64.5778 23.5645 64.5777 3.90829 GPRESSAVG: 2648800 -22.9318 5.26418 20.8205 2.85859 18.9352 62.6092 25.7974 63.7839 4.40819 TIMING: 2648800 CPU: 7900.35, 0.00296559/step Wall: 7900.35, 0.00296559/step, 1.93686 hours remaining, 207.949219 MB of memory in use. ENERGY: 2648800 725.8002 2053.9628 1953.4543 124.7228 -206099.2093 17667.6421 0.0000 0.0000 34178.5890 -149395.0382 298.4901 -183573.6272 -149300.1974 299.3955 -155.1257 -118.8096 557529.2393 0.0931 0.1372 PRESSURE: 2649000 198.711 -33.0567 -2.71326 -33.0574 304.565 90.2934 -2.71417 90.2948 32.9339 GPRESSURE: 2649000 244.167 -116.929 15.5846 2.1737 298.31 160.682 108.168 40.4443 84.8582 PRESSAVG: 2649000 19.5865 48.7368 -37.6609 48.7367 -9.22065 76.0109 -37.6608 76.0108 36.9008 GPRESSAVG: 2649000 19.5364 47.6888 -38.2201 49.5669 -8.85508 78.5321 -39.5432 76.5973 36.7039 TIMING: 2649000 CPU: 7900.95, 0.00296265/step Wall: 7900.95, 0.00296266/step, 1.93478 hours remaining, 207.949219 MB of memory in use. ENERGY: 2649000 725.8487 2053.1122 1952.3133 102.2186 -206453.7594 18117.3447 0.0000 0.0000 34291.8229 -149211.0991 299.4790 -183502.9220 -149122.2593 298.8237 178.7364 209.1118 557407.8576 15.7555 15.7951 PRESSURE: 2649200 -71.7966 -209.374 2.05749 -209.374 -16.885 -45.5262 2.05652 -45.5266 -234.253 GPRESSURE: 2649200 -18.5841 -206.431 76.661 -267.518 -31.2607 -39.9306 -13.8742 -28.1695 -179.141 PRESSAVG: 2649200 0.355287 -29.7868 -28.0648 -29.7868 76.2303 -21.6024 -28.0648 -21.6024 -59.9208 GPRESSAVG: 2649200 0.434427 -29.9181 -25.8398 -30.1772 75.8331 -23.4337 -26.6424 -22.4187 -59.4108 TIMING: 2649200 CPU: 7901.54, 0.00297885/step Wall: 7901.54, 0.00297885/step, 1.94519 hours remaining, 207.949219 MB of memory in use. ENERGY: 2649200 783.2093 2097.6749 1938.7194 118.1162 -206227.4596 17732.0720 0.0000 0.0000 34361.8423 -149195.8255 300.0905 -183557.6678 -149096.7513 299.4889 -107.6447 -76.3286 557896.0044 5.5549 5.6189 PRESSURE: 2649400 -73.6956 -12.9241 -127.947 -12.9246 23.9483 -10.4342 -127.947 -10.4329 -8.35684 GPRESSURE: 2649400 -25.8554 -94.1271 -128.472 42.5644 44.7103 -52.6952 -12.7089 111.518 10.198 PRESSAVG: 2649400 27.4199 24.3969 -19.1302 24.3969 24.2583 44.2061 -19.1302 44.2061 -81.8202 GPRESSAVG: 2649400 27.8796 24.0011 -20.208 26.3051 22.9508 44.2179 -18.821 46.8976 -81.3276 TIMING: 2649400 CPU: 7902.14, 0.00299688/step Wall: 7902.14, 0.00299688/step, 1.9568 hours remaining, 207.949219 MB of memory in use. ENERGY: 2649400 773.5747 2080.9146 1942.4656 111.0727 -206315.8003 17864.4203 0.0000 0.0000 34480.3753 -149062.9771 301.1257 -183543.3524 -148972.6203 299.9389 -19.3680 9.6843 558529.6916 -10.0474 -10.1657 PRESSURE: 2649600 71.3603 39.2482 46.8088 39.2485 -2.56223 29.9231 46.8089 29.9234 87.9337 GPRESSURE: 2649600 71.4716 46.3428 45.3252 62.1046 82.6166 50.0426 10.023 -34.5703 90.5328 PRESSAVG: 2649600 -26.187 16.1696 12.1698 16.1698 72.4071 59.4472 12.1698 59.4472 -31.0319 GPRESSAVG: 2649600 -27.5375 16.3641 15.5559 15.007 73.5152 60.6199 10.0624 58.0211 -31.2941 TIMING: 2649600 CPU: 7902.74, 0.00297792/step Wall: 7902.74, 0.00297792/step, 1.94425 hours remaining, 207.949219 MB of memory in use. ENERGY: 2649600 699.4831 2072.2153 1927.1015 106.5375 -206007.8367 17934.9861 0.0000 0.0000 34319.0477 -148948.4656 299.7168 -183267.5133 -148848.5779 299.8781 52.2439 81.5403 559433.6252 5.0627 4.8945 PRESSURE: 2649800 -423.173 129.02 177.24 129.02 -323.16 203.472 177.239 203.472 -327.226 GPRESSURE: 2649800 -425.799 112.121 164.649 127.895 -236.687 212.291 125.228 147.427 -325.153 PRESSAVG: 2649800 2.76457 29.2723 12.2057 29.2722 36.3428 39.3856 12.2057 39.3856 -28.353 GPRESSAVG: 2649800 3.36261 30.2489 10.5966 26.5917 36.1868 39.2699 11.6907 39.1549 -28.9454 TIMING: 2649800 CPU: 7903.33, 0.00297136/step Wall: 7903.33, 0.00297135/step, 1.9398 hours remaining, 207.949219 MB of memory in use. ENERGY: 2649800 746.9548 2082.0001 1977.2093 116.6367 -205226.1424 17245.7326 0.0000 0.0000 34070.2946 -148987.3144 297.5444 -183057.6090 -148896.0346 299.8706 -357.8529 -329.2130 560064.4875 3.5848 3.5347 PRESSURE: 2650000 -200.549 -25.8516 95.3607 -25.8507 197.2 -156.932 95.3612 -156.93 31.9645 GPRESSURE: 2650000 -155.004 -7.33774 107.985 -42.9586 236.333 -127.147 37.9506 -200.286 39.4119 PRESSAVG: 2650000 -78.583 9.14996 34.4063 9.14997 37.316 38.915 34.4062 38.9151 -25.3198 GPRESSAVG: 2650000 -76.9108 8.41006 34.7636 11.6313 36.5057 39.0825 35.0857 39.532 -26.0202 TIMING: 2650000 CPU: 7903.92, 0.00297334/step Wall: 7903.92, 0.00297334/step, 1.94093 hours remaining, 207.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2650000 745.4161 2080.3863 1966.9779 106.2556 -206434.9925 17965.1964 0.0000 0.0000 34397.2756 -149173.4847 300.4000 -183570.7603 -149078.7253 300.0740 9.5386 40.2469 557286.0124 -22.1956 -22.1418 PRESSURE: 2650200 -90.399 -43.8294 12.8188 -43.8291 -341.673 0.749219 12.818 0.749092 23.1148 GPRESSURE: 2650200 -79.2193 41.0634 28.5801 -216.42 -220.32 -32.8307 57.5193 -21.8417 -18.9602 PRESSAVG: 2650200 -9.67879 1.59412 7.10469 1.59412 -12.2331 2.78565 7.10471 2.78561 37.79 GPRESSAVG: 2650200 -10.9335 -0.692143 4.56401 0.867711 -11.2681 2.16892 8.07215 1.2626 37.8555 TIMING: 2650200 CPU: 7904.52, 0.00298244/step Wall: 7904.52, 0.00298244/step, 1.9467 hours remaining, 207.949219 MB of memory in use. ENERGY: 2650200 784.5620 2065.3482 1956.1214 107.0817 -206213.2477 17646.8476 0.0000 0.0000 34306.5796 -149346.7072 299.6079 -183653.2868 -149256.9360 299.4424 -136.3191 -106.1664 556771.5314 5.2927 5.2179 PRESSURE: 2650400 252.607 87.3994 79.5437 87.3987 -22.7842 28.5026 79.5447 28.5023 322.87 GPRESSURE: 2650400 223.048 60.77 105.506 102.487 78.352 -20.9421 113.336 36.8181 351.972 PRESSAVG: 2650400 -3.2803 -24.4338 27.2837 -24.4337 -7.00752 29.2752 27.2837 29.2752 44.073 GPRESSAVG: 2650400 -2.90739 -21.1892 28.6716 -23.7721 -7.95499 28.0815 27.7638 30.8848 44.7608 TIMING: 2650400 CPU: 7905.11, 0.0029616/step Wall: 7905.11, 0.0029616/step, 1.93294 hours remaining, 207.949219 MB of memory in use. ENERGY: 2650400 748.8894 2052.3303 1918.4071 105.1833 -206512.1971 18111.3268 0.0000 0.0000 34112.7940 -149463.2660 297.9155 -183576.0600 -149365.5179 298.8021 184.2310 217.7908 556503.3966 11.2617 11.2995 PRESSURE: 2650600 -60.6975 -44.6415 -81.3391 -44.6403 -140.989 30.9971 -81.3406 30.9979 20.7732 GPRESSURE: 2650600 -2.88724 31.0129 -130.693 -43.8531 -78.0093 -30.9387 -130.384 113.733 7.30326 PRESSAVG: 2650600 -7.48454 -31.2982 -15.9037 -31.2981 -23.6001 -27.3191 -15.9037 -27.3191 10.3904 GPRESSAVG: 2650600 -7.80324 -31.4146 -14.7854 -32.7576 -22.0187 -27.5919 -16.9207 -26.7447 9.42247 TIMING: 2650600 CPU: 7905.71, 0.00295904/step Wall: 7905.71, 0.00295904/step, 1.9311 hours remaining, 207.949219 MB of memory in use. ENERGY: 2650600 784.4324 2060.7564 1966.6329 125.4196 -206287.2068 17679.7799 0.0000 0.0000 34198.8129 -149471.3726 298.6667 -183670.1855 -149379.3891 297.8783 -60.3046 -24.5311 557376.0443 -6.8981 -6.7998 PRESSURE: 2650800 158.674 3.93521 -119.918 3.93598 -11.5045 -23.1594 -119.918 -23.1569 55.7352 GPRESSURE: 2650800 155.385 -41.4208 -131.678 15.2582 100.012 1.28068 -69.1097 -29.2 47.9473 PRESSAVG: 2650800 -0.18869 28.6658 -28.5349 28.6657 -15.5929 10.0397 -28.5348 10.0397 19.3228 GPRESSAVG: 2650800 -0.354655 26.8411 -29.5279 29.7731 -15.6612 11.74 -28.6277 8.75773 19.6362 TIMING: 2650800 CPU: 7906.3, 0.00299782/step Wall: 7906.3, 0.00299782/step, 1.95624 hours remaining, 207.949219 MB of memory in use. ENERGY: 2650800 733.7282 2077.7837 1955.6062 95.7790 -206214.3792 17990.9247 0.0000 0.0000 34085.6165 -149274.9409 297.6782 -183360.5574 -149172.9961 298.8487 67.6348 101.1147 558707.5755 1.1804 1.2068 PRESSURE: 2651000 -30.7377 -7.42574 220.299 -7.42554 -204.834 70.6284 220.298 70.6284 -225.387 GPRESSURE: 2651000 6.35302 -43.1512 143.23 -101.385 -169.394 115.673 208.362 -9.42093 -205.586 PRESSAVG: 2651000 18.3584 10.6974 -3.24044 10.6973 38.8175 -21.6875 -3.24043 -21.6875 -35.3109 GPRESSAVG: 2651000 19.0413 12.6381 -2.60007 8.78816 38.1321 -23.4018 -3.32172 -21.3221 -35.3272 TIMING: 2651000 CPU: 7906.9, 0.00297086/step Wall: 7906.9, 0.00297086/step, 1.93849 hours remaining, 207.949219 MB of memory in use. ENERGY: 2651000 792.3829 2066.9349 1939.2297 110.0959 -205802.6960 17512.0141 0.0000 0.0000 34217.4559 -149164.5825 298.8296 -183382.0384 -149065.5344 298.4855 -153.6528 -122.8755 557898.7601 7.2883 7.2820 PRESSURE: 2651200 -318.494 103.515 -40.075 103.516 152.886 116.384 -40.0737 116.385 -211.136 GPRESSURE: 2651200 -309.032 46.4401 14.5327 55.2021 209.321 107.349 -107.634 155.246 -178.036 PRESSAVG: 2651200 34.9632 20.8971 -47.8266 20.8972 42.9869 -9.29206 -47.8265 -9.29205 -84.8961 GPRESSAVG: 2651200 34.5216 21.349 -48.683 22.0263 43.8402 -8.51829 -47.0152 -9.44494 -85.2049 TIMING: 2651200 CPU: 7907.49, 0.00295528/step Wall: 7907.49, 0.00295528/step, 1.92815 hours remaining, 207.949219 MB of memory in use. ENERGY: 2651200 767.2247 2058.2231 1940.7148 102.9346 -205848.2921 17682.6118 0.0000 0.0000 34244.7636 -149051.8195 299.0680 -183296.5831 -148954.0510 298.9450 -125.5812 -92.5822 559699.8986 -2.3153 -2.2810 PRESSURE: 2651400 50.4405 205.043 41.2651 205.042 -281.9 57.1167 41.2641 57.1162 -309.549 GPRESSURE: 2651400 30.668 204.569 19.9547 199.723 -254.56 -11.3458 136.35 51.3492 -234.974 PRESSAVG: 2651400 -5.14443 24.555 -26.7861 24.555 -21.3352 -51.2177 -26.786 -51.2176 1.42397 GPRESSAVG: 2651400 -5.21232 23.372 -25.9222 25.2102 -22.0497 -51.8921 -28.455 -49.1379 2.41388 TIMING: 2651400 CPU: 7908.08, 0.00295608/step Wall: 7908.08, 0.00295608/step, 1.92852 hours remaining, 207.949219 MB of memory in use. ENERGY: 2651400 753.9945 2046.7874 1935.2027 119.6201 -205791.1563 17573.8080 0.0000 0.0000 34325.5302 -149036.2134 299.7734 -183361.7436 -148942.6552 298.8694 -180.3363 -152.9553 559710.7102 -8.3519 -8.2827 PRESSURE: 2651600 -151.913 100.086 171.217 100.086 -164.366 25.5315 171.217 25.5313 -292.397 GPRESSURE: 2651600 -135.038 178.462 117.596 76.9037 -78.7829 -90.0536 86.0391 -8.47858 -302.046 PRESSAVG: 2651600 -15.9567 -20.998 -6.32576 -20.998 44.9189 -1.55568 -6.3258 -1.55558 -19.9677 GPRESSAVG: 2651600 -15.2917 -22.044 -8.11179 -20.3125 44.4204 -1.21229 -5.33468 -5.07587 -20.8262 TIMING: 2651600 CPU: 7908.67, 0.00295991/step Wall: 7908.67, 0.00295991/step, 1.93085 hours remaining, 207.949219 MB of memory in use. ENERGY: 2651600 746.6592 2106.0642 1923.2375 102.8010 -205699.1974 17497.9684 0.0000 0.0000 34208.2898 -149114.1774 298.7495 -183322.4672 -149012.2029 299.0239 -202.8920 -171.9554 559888.2106 2.9982 2.7675 PRESSURE: 2651800 179.088 23.4126 37.2002 23.4127 -78.0219 -96.8687 37.2006 -96.8689 356.232 GPRESSURE: 2651800 222.007 28.0858 -5.62346 10.4881 -74.6407 -31.1609 84.3207 -74.0524 409.615 PRESSAVG: 2651800 25.9423 -24.317 39.3559 -24.3171 -49.1681 -15.1425 39.356 -15.1424 21.744 GPRESSAVG: 2651800 24.4354 -21.862 42.1198 -25.4265 -48.8147 -13.0402 38.8879 -14.5666 22.3736 TIMING: 2651800 CPU: 7909.27, 0.00297533/step Wall: 7909.27, 0.00297533/step, 1.94074 hours remaining, 207.949219 MB of memory in use. ENERGY: 2651800 724.0753 2097.3747 1930.3672 105.5054 -206092.4690 17934.3490 0.0000 0.0000 34242.6873 -149058.1101 299.0499 -183300.7974 -148956.5402 299.5423 152.4326 185.6606 557408.2928 -0.4939 -0.6686 PRESSURE: 2652000 -99.2106 -29.9949 160.412 -29.9962 -68.7885 147.109 160.412 147.11 -148.22 GPRESSURE: 2652000 -43.045 -45.0441 165.195 -26.7977 -67.3377 29.2516 162.928 221.148 -103.521 PRESSAVG: 2652000 -37.0521 -34.7187 26.3931 -34.7187 -56.6967 13.0667 26.3932 13.0667 55.8343 GPRESSAVG: 2652000 -36.0694 -36.7457 25.3241 -34.5742 -57.0522 12.0802 27.1134 13.9026 55.3874 TIMING: 2652000 CPU: 7909.87, 0.00299227/step Wall: 7909.87, 0.00299227/step, 1.95162 hours remaining, 207.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2652000 766.9272 2106.6138 1951.2207 113.7296 -205842.2307 17541.5997 0.0000 0.0000 34299.6088 -149062.5309 299.5470 -183362.1396 -148969.8557 300.2572 -105.4065 -71.3013 557425.3918 -12.6382 -12.5781 PRESSURE: 2652200 228.625 -227.217 -151.914 -227.218 196.731 -60.2503 -151.915 -60.2495 132.334 GPRESSURE: 2652200 276.963 -249.256 -80.485 -202.433 240.859 -100.525 -208.815 -8.22027 151.98 PRESSAVG: 2652200 15.4601 -22.2763 -6.45744 -22.2763 -6.12852 45.9631 -6.45748 45.9631 -21.4722 GPRESSAVG: 2652200 14.4969 -21.4606 -8.07114 -21.698 -5.22747 46.5658 -6.65515 46.3172 -20.7456 TIMING: 2652200 CPU: 7910.47, 0.00301527/step Wall: 7910.47, 0.00301527/step, 1.96646 hours remaining, 207.949219 MB of memory in use. ENERGY: 2652200 744.6353 2089.6415 1950.5577 121.8272 -206286.2995 18149.2609 0.0000 0.0000 34197.4211 -149032.9559 298.6546 -183230.3770 -148939.3470 299.6142 185.8967 223.2673 557172.5279 -4.0469 -3.8254 LDB: ============= START OF LOAD BALANCING ============== 7914.02 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7914.02 LDB: =============== DONE WITH MIGRATION ================ 7914.02 LDB: ============= START OF LOAD BALANCING ============== 7914.32 LDB: Largest compute 4773 load 0.027176 is 23.0% of average load 0.118209 LDB: Average compute 0.001737 is 1.5% of average load 0.118209 LDB: TIME 7914.33 LOAD: AVG 0.118209 MAX 0.203241 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.934 MB LDB: TIME 7914.33 LOAD: AVG 0.118209 MAX 0.203241 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.934 MB LDB: TIME 7914.33 LOAD: AVG 0.118209 MAX 0.203241 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.934 MB LDB: ============== END OF LOAD BALANCING =============== 7914.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7914.33 PRESSURE: 2652400 -238.253 31.6897 -16.3821 31.6906 51.2348 197.538 -16.3821 197.537 62.1858 GPRESSURE: 2652400 -224.868 -25.0024 -123.215 80.5262 102.381 154.679 -42.1648 145.956 102.279 PRESSAVG: 2652400 -17.3033 13.5796 -2.23238 13.5796 17.244 -21.8636 -2.23234 -21.8637 12.4241 GPRESSAVG: 2652400 -16.9101 12.2614 -2.36325 14.3289 17.0097 -21.102 -2.37799 -23.5022 12.2969 TIMING: 2652400 CPU: 7911.08, 0.00306817/step Wall: 7911.08, 0.00306817/step, 2.00079 hours remaining, 209.296875 MB of memory in use. ENERGY: 2652400 748.5255 2075.0928 1961.3168 118.8609 -205807.8134 17694.1252 0.0000 0.0000 34141.3194 -149068.5729 298.1646 -183209.8923 -148978.7838 299.7929 -41.6106 -6.7357 557160.6231 4.1216 4.1322 PRESSURE: 2652600 129.219 51.3565 157.182 51.3562 125.769 231.023 157.183 231.022 124.747 GPRESSURE: 2652600 124.814 38.4806 104.358 7.79479 183.353 222.16 120.919 201.69 167.91 PRESSAVG: 2652600 -16.3176 5.40322 4.71151 5.40322 5.05051 58.8978 4.71141 58.8977 48.2316 GPRESSAVG: 2652600 -16.2443 5.76373 5.06362 4.17186 5.13781 58.2752 3.97468 59.7084 47.6129 TIMING: 2652600 CPU: 7911.68, 0.00299456/step Wall: 7911.68, 0.00299456/step, 1.95262 hours remaining, 209.367188 MB of memory in use. ENERGY: 2652600 755.7058 2053.0827 1917.4807 114.9952 -206369.8369 17968.0259 0.0000 0.0000 34289.6620 -149270.8846 299.4601 -183560.5466 -149172.8439 299.6261 126.5782 158.6923 555646.1417 12.3215 12.1688 PRESSURE: 2652800 -227.584 36.3656 97.018 36.3665 -142.955 -4.70434 97.0193 -4.70316 -106.388 GPRESSURE: 2652800 -225.244 85.6416 193.971 -39.8421 -79.2483 -28.5061 58.6719 -54.9227 -69.929 PRESSAVG: 2652800 37.859 18.7327 26.4687 18.7328 1.80256 -49.7003 26.4687 -49.7004 -0.345664 GPRESSAVG: 2652800 37.7954 20.4341 27.0167 19.0566 2.49388 -50.5446 27.5544 -49.4564 -1.29414 TIMING: 2652800 CPU: 7912.28, 0.00297397/step Wall: 7912.28, 0.00297397/step, 1.93903 hours remaining, 209.367188 MB of memory in use. ENERGY: 2652800 780.7549 2076.8817 1918.1173 104.8563 -206117.9298 17769.0367 0.0000 0.0000 34121.1308 -149347.1520 297.9883 -183468.2828 -149252.3692 298.4570 -158.9758 -124.8071 557425.7120 13.1053 12.9984 PRESSURE: 2653000 -86.9646 103.69 -186.104 103.689 5.57279 -211.753 -186.104 -211.753 127.589 GPRESSURE: 2653000 3.75214 55.7862 -100.54 53.959 12.4667 -76.2409 -187.023 -228.172 123.561 PRESSAVG: 2653000 -57.6783 -17.3181 -7.72281 -17.3181 20.0947 13.593 -7.72288 13.593 10.7599 GPRESSAVG: 2653000 -57.7764 -19.6043 -9.01462 -16.3686 19.3296 13.9967 -8.40861 13.7862 11.8287 TIMING: 2653000 CPU: 7912.87, 0.00294605/step Wall: 7912.87, 0.00294605/step, 1.92066 hours remaining, 209.367188 MB of memory in use. ENERGY: 2653000 733.1374 2159.9850 1916.5021 111.0513 -206411.6527 17937.8945 0.0000 0.0000 34180.9321 -149372.1503 298.5106 -183553.0823 -149281.0637 297.8488 15.3989 46.5933 556778.4334 -8.9412 -8.8727 PRESSURE: 2653200 162.944 85.6552 -95.1047 85.6563 272.408 -13.8503 -95.1035 -13.849 -27.1915 GPRESSURE: 2653200 163.677 160.913 -34.0747 -8.7221 303.013 -3.5359 -165.487 -77.2267 51.1973 PRESSAVG: 2653200 -70.5415 47.0677 -19.0083 47.0677 35.729 34.255 -19.0083 34.2551 21.0851 GPRESSAVG: 2653200 -69.6662 49.5611 -17.5248 43.8921 35.976 34.5301 -18.8549 33.0601 20.3532 TIMING: 2653200 CPU: 7913.46, 0.00295046/step Wall: 7913.46, 0.00295046/step, 1.92337 hours remaining, 209.367188 MB of memory in use. ENERGY: 2653200 738.5799 2149.7875 1948.0313 109.7023 -206401.2088 18027.2817 0.0000 0.0000 34102.0249 -149325.8011 297.8215 -183427.8260 -149234.0207 298.5696 136.0534 172.6291 556602.3311 -4.5758 -4.4457 PRESSURE: 2653400 -184.864 230.736 -98.7657 230.735 124.788 -88.2513 -98.7655 -88.2509 154.656 GPRESSURE: 2653400 -119.428 127.666 -128.296 278.373 169.242 -103.742 -185.668 -88.5391 150.602 PRESSAVG: 2653400 -24.7423 23.6018 -17.9505 23.6017 -58.5186 -51.3578 -17.9505 -51.3579 71.7409 GPRESSAVG: 2653400 -25.6416 20.4088 -20.3845 27.0896 -59.1483 -50.4886 -17.3318 -52.8792 72.8186 TIMING: 2653400 CPU: 7914.05, 0.00296975/step Wall: 7914.05, 0.00296975/step, 1.93578 hours remaining, 209.367188 MB of memory in use. ENERGY: 2653400 783.5515 2131.0521 1920.6897 106.5150 -206629.5274 17879.2544 0.0000 0.0000 34184.3177 -149624.1469 298.5401 -183808.4646 -149533.3339 298.4244 31.5268 66.8051 555899.3226 -3.8400 -3.9904 PRESSURE: 2653600 250.709 -33.8326 -167.065 -33.8314 69.8647 -45.8721 -167.065 -45.8712 56.1262 GPRESSURE: 2653600 276.664 24.059 -193.704 -57.3032 50.4077 -77.4332 -157.253 -76.9433 141.737 PRESSAVG: 2653600 -27.049 9.36094 -83.2827 9.36097 57.5811 101.685 -83.2827 101.685 -15.4375 GPRESSAVG: 2653600 -26.5778 11.7239 -82.0207 8.65569 57.1152 98.3734 -84.4542 103.425 -15.8382 TIMING: 2653600 CPU: 7914.64, 0.00294969/step Wall: 7914.64, 0.00294969/step, 1.92254 hours remaining, 209.367188 MB of memory in use. ENERGY: 2653600 707.1005 2115.0093 1933.0951 116.7466 -206633.1567 18004.6910 0.0000 0.0000 34123.1001 -149633.4141 298.0055 -183756.5142 -149534.7030 297.7366 125.5666 156.2696 556649.8960 5.0315 4.8998 PRESSURE: 2653800 -365.888 7.95977 -97.6929 7.95909 -159.846 71.1429 -97.6933 71.1418 -254.77 GPRESSURE: 2653800 -340.438 -97.9961 -115.094 111.24 -166.993 71.2568 -78.5994 144.646 -174.181 PRESSAVG: 2653800 -31.9704 -34.5582 -39.3154 -34.5582 8.49706 15.3185 -39.3154 15.3184 33.3854 GPRESSAVG: 2653800 -32.5728 -35.5205 -38.545 -33.852 9.18347 17.8381 -38.5316 15.9753 33.3212 TIMING: 2653800 CPU: 7915.24, 0.00297533/step Wall: 7915.24, 0.00297533/step, 1.93909 hours remaining, 209.367188 MB of memory in use. ENERGY: 2653800 726.2874 2012.6791 1951.8247 111.7386 -205805.3214 17424.9378 0.0000 0.0000 34247.4555 -149330.3983 299.0915 -183577.8538 -149243.4029 298.3484 -260.1679 -227.2041 557876.5718 3.3040 3.3106 PRESSURE: 2654000 -124.705 -32.6579 51.2901 -32.6593 -122.527 202.509 51.2888 202.508 -177.994 GPRESSURE: 2654000 -124.949 -29.4563 -14.1163 26.661 -40.0493 147.242 22.4882 152.59 -157.566 PRESSAVG: 2654000 -9.47228 -4.52437 -5.31779 -4.52444 -20.8221 3.04762 -5.31789 3.04756 -12.2411 GPRESSAVG: 2654000 -10.1365 -4.1792 -6.11409 -4.74426 -20.8628 0.511869 -5.36316 3.40195 -10.8612 TIMING: 2654000 CPU: 7915.83, 0.00297118/step Wall: 7915.83, 0.00297118/step, 1.93622 hours remaining, 209.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2654000 738.9292 2064.3803 1933.3544 100.6096 -206253.2144 17716.0753 0.0000 0.0000 34219.2495 -149480.6162 298.8452 -183699.8658 -149387.9754 299.0246 -141.7423 -107.5214 558245.6415 -14.1785 -13.9535 PRESSURE: 2654200 33.8616 -114.377 -19.119 -114.377 40.9052 -158.633 -19.118 -158.632 57.5097 GPRESSURE: 2654200 64.1908 -132.38 -67.1478 -129.936 26.3759 -118.518 -42.9694 -199.919 124.376 PRESSAVG: 2654200 12.264 65.3348 -35.6166 65.3348 17.6115 -34.572 -35.6166 -34.572 -17.5445 GPRESSAVG: 2654200 12.2235 65.0058 -35.1574 63.3232 18.1234 -32.406 -36.775 -34.9647 -17.9872 TIMING: 2654200 CPU: 7916.43, 0.00297968/step Wall: 7916.43, 0.00297968/step, 1.94159 hours remaining, 209.367188 MB of memory in use. ENERGY: 2654200 745.1944 2141.3277 1939.1166 110.2378 -206436.4189 17917.4735 0.0000 0.0000 34372.7342 -149210.3347 300.1856 -183583.0689 -149112.5704 299.0873 44.0922 71.6475 557767.9970 4.1103 4.1199 PRESSURE: 2654400 75.426 -30.7317 51.5437 -30.731 68.0734 -203.023 51.5444 -203.022 45.2038 GPRESSURE: 2654400 136.225 -71.8642 8.26548 -60.9538 107.962 -169.861 112.666 -172.065 44.8616 PRESSAVG: 2654400 -20.4903 17.0731 -46.5378 17.0729 7.78292 42.7193 -46.5378 42.7193 59.6069 GPRESSAVG: 2654400 -20.3857 17.219 -46.0749 19.0664 7.59773 42.4038 -46.9022 42.8295 59.4569 TIMING: 2654400 CPU: 7917.02, 0.00298516/step Wall: 7917.02, 0.00298516/step, 1.945 hours remaining, 209.367188 MB of memory in use. ENERGY: 2654400 775.5712 2157.6419 1923.1040 117.7867 -206298.6471 17963.7673 0.0000 0.0000 34163.5015 -149197.2745 298.3584 -183360.7760 -149103.5284 300.1578 62.9011 96.3495 556577.0965 15.6332 15.5563 PRESSURE: 2654600 63.2075 102.567 83.1848 102.567 87.914 60.4236 83.1858 60.422 16.902 GPRESSURE: 2654600 73.7455 108.604 78.2507 142.701 60.1024 84.6836 55.1396 -36.508 129.854 PRESSAVG: 2654600 -35.1819 47.5755 -3.30466 47.5754 92.3494 -10.0587 -3.30461 -10.0586 -68.6135 GPRESSAVG: 2654600 -34.7335 48.2465 -2.9721 45.2601 92.2319 -8.58217 -3.29885 -10.1136 -69.2149 TIMING: 2654600 CPU: 7917.62, 0.00297743/step Wall: 7917.62, 0.00297743/step, 1.9398 hours remaining, 209.367188 MB of memory in use. ENERGY: 2654600 767.5589 2152.9304 1941.4229 114.5119 -206198.4966 17858.4917 0.0000 0.0000 34283.5375 -149080.0433 299.4067 -183363.5808 -148993.0014 300.0651 56.0078 87.9006 557773.8807 -3.8153 -3.9055 PRESSURE: 2654800 227.085 -44.5435 -213.448 -44.5425 259.668 -267.035 -213.449 -267.033 -139.482 GPRESSURE: 2654800 227.964 -58.0237 -226.133 -17.1835 365.488 -189.982 -167.742 -242.637 -146.589 PRESSAVG: 2654800 25.6857 15.4432 -1.00126 15.4433 40.7605 -28.2634 -1.00133 -28.2633 -40.7669 GPRESSAVG: 2654800 26.12 15.2018 0.053464 16.2621 41.7354 -28.5073 -1.36512 -29.8536 -42.2131 TIMING: 2654800 CPU: 7918.21, 0.00295704/step Wall: 7918.21, 0.00295704/step, 1.92634 hours remaining, 209.367188 MB of memory in use. ENERGY: 2654800 759.4244 2103.6187 1945.7203 107.6696 -206618.0635 18200.4434 0.0000 0.0000 34247.4111 -149253.7759 299.0912 -183501.1870 -149162.1315 299.7596 115.7571 148.9544 558160.6803 8.5598 8.5474 PRESSURE: 2655000 -103.245 36.4815 -84.628 36.48 -150.28 -70.9956 -84.6294 -70.9963 30.0045 GPRESSURE: 2655000 -27.9568 -74.3233 -73.2108 112.291 -165.092 -72.8749 -12.2744 -122.757 71.6706 PRESSAVG: 2655000 83.1733 -37.4027 -45.6461 -37.4028 -5.71232 8.71142 -45.646 8.71141 -50.7842 GPRESSAVG: 2655000 82.4034 -37.7893 -48.2005 -35.9625 -6.40482 7.57072 -43.5253 11.5248 -49.592 TIMING: 2655000 CPU: 7918.8, 0.00294589/step Wall: 7918.8, 0.00294589/step, 1.91892 hours remaining, 209.367188 MB of memory in use. ENERGY: 2655000 768.0727 2162.0103 1942.6442 114.1435 -206019.5200 17588.0284 0.0000 0.0000 34245.7746 -149198.8463 299.0769 -183444.6209 -149105.8550 299.6376 -74.5067 -40.4595 557915.3544 8.8923 8.8022 PRESSURE: 2655200 -50.6725 -63.0251 -55.6192 -63.0253 -77.3096 30.0132 -55.6188 30.0125 -330.003 GPRESSURE: 2655200 -35.8175 -28.8379 -74.9158 -50.033 -52.0933 44.6276 -48.7366 28.8192 -285.893 PRESSAVG: 2655200 43.1143 3.47033 -31.0982 3.47045 -1.30385 -35.6122 -31.0983 -35.6123 -38.4305 GPRESSAVG: 2655200 44.1338 3.55936 -31.5104 1.72568 -1.87427 -35.2631 -31.9317 -36.9293 -38.9702 TIMING: 2655200 CPU: 7919.4, 0.00299033/step Wall: 7919.4, 0.00299033/step, 1.9477 hours remaining, 209.367188 MB of memory in use. ENERGY: 2655200 735.0686 2069.2297 1946.8933 104.0761 -205868.3456 17544.7991 0.0000 0.0000 34230.0984 -149238.1805 298.9400 -183468.2788 -149137.3073 299.3799 -152.6616 -124.6013 558346.5167 1.1267 1.0964 PRESSURE: 2655400 -82.9234 -167.631 -106.747 -167.632 16.6655 -46.7838 -106.748 -46.7845 -48.1546 GPRESSURE: 2655400 -54.0135 -120.149 -100.004 -151.334 -4.56708 -96.1368 -112.092 -23.8089 34.7624 PRESSAVG: 2655400 -99.6156 -19.3953 -46.5302 -19.3953 12.3345 -39.3966 -46.5301 -39.3965 84.7943 GPRESSAVG: 2655400 -99.4678 -20.5927 -44.7578 -18.2479 12.0886 -37.9908 -46.6307 -40.5052 84.9521 TIMING: 2655400 CPU: 7919.99, 0.00295691/step Wall: 7919.99, 0.00295691/step, 1.92577 hours remaining, 209.367188 MB of memory in use. ENERGY: 2655400 749.7960 2050.4469 1937.0018 115.9130 -206272.1374 17857.5364 0.0000 0.0000 34350.6603 -149210.7829 299.9929 -183561.4432 -149108.8159 299.0902 -38.1375 -7.9394 558970.1430 -0.8289 -0.8090 PRESSURE: 2655600 -465.894 -56.5895 2.57535 -56.589 22.9553 -3.39837 2.57498 -3.39726 283.913 GPRESSURE: 2655600 -399.704 -49.0732 -48.3366 -104.694 -1.54411 17.7853 -27.1896 -60.1326 338.468 PRESSAVG: 2655600 -32.8122 7.50642 -74.3982 7.50635 -9.08207 -10.7987 -74.3982 -10.7988 -2.04961 GPRESSAVG: 2655600 -31.9209 7.06785 -75.6349 5.54601 -8.24123 -12.9858 -73.7541 -10.1459 -3.90609 TIMING: 2655600 CPU: 7920.58, 0.00295805/step Wall: 7920.58, 0.00295805/step, 1.92635 hours remaining, 209.367188 MB of memory in use. ENERGY: 2655600 733.9352 2090.4433 1974.1975 111.1383 -205947.9297 17726.4347 0.0000 0.0000 34128.7771 -149183.0037 298.0551 -183311.7808 -149091.8971 298.7563 -53.0087 -20.9269 557321.0644 -14.6480 -14.6894 PRESSURE: 2655800 143.16 -70.9053 180.574 -70.9057 -22.5406 -106.226 180.575 -106.226 29.4484 GPRESSURE: 2655800 143.337 -31.8439 168.117 -108.972 82.7556 -78.9021 289.238 -127.776 16.4173 PRESSAVG: 2655800 1.17216 -23.2792 42.5249 -23.2793 20.4319 2.24532 42.525 2.24532 -27.3154 GPRESSAVG: 2655800 0.478431 -21.3642 40.8596 -23.7115 20.1992 2.65012 43.3686 2.13414 -26.7352 TIMING: 2655800 CPU: 7921.18, 0.00298545/step Wall: 7921.18, 0.00298545/step, 1.94403 hours remaining, 209.367188 MB of memory in use. ENERGY: 2655800 752.7325 2089.7602 1912.9863 114.1477 -205816.9277 17794.9898 0.0000 0.0000 34106.6183 -149045.6929 297.8616 -183152.3112 -148945.5592 299.1788 50.0227 80.8367 557683.9696 -1.9038 -2.0192 PRESSURE: 2656000 103.355 18.2694 -30.3364 18.2685 -178.966 39.0368 -30.338 39.0362 -18.5862 GPRESSURE: 2656000 117.609 -10.0983 5.30824 20.5681 -152.593 34.7825 3.39988 53.586 18.082 PRESSAVG: 2656000 10.3278 -11.1127 6.94501 -11.1126 -35.3256 -59.3852 6.94516 -59.3853 2.2008 GPRESSAVG: 2656000 9.51175 -10.188 8.40617 -9.89778 -36.157 -57.6246 4.66689 -59.5763 3.73473 TIMING: 2656000 CPU: 7921.77, 0.00295858/step Wall: 7921.77, 0.00295858/step, 1.92636 hours remaining, 209.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2656000 723.1222 2076.8048 1930.9420 105.0758 -205926.4899 17794.7267 0.0000 0.0000 34314.1210 -148981.6975 299.6738 -183295.8185 -148885.7458 299.7317 -31.3993 -5.6340 558692.8400 -7.5990 -7.6368 PRESSURE: 2656200 27.2665 25.1712 42.6047 25.1706 -167.105 168.878 42.6036 168.878 -116.867 GPRESSURE: 2656200 33.4929 -21.9457 30.3699 59.3327 -145.546 215.464 53.3582 97.304 -50.6108 PRESSAVG: 2656200 59.9095 -6.8098 7.42698 -6.80968 -42.9275 6.91309 7.42702 6.91306 -16.0935 GPRESSAVG: 2656200 59.1833 -9.06742 7.7738 -6.5515 -41.5631 7.69029 7.94116 6.62688 -16.8965 TIMING: 2656200 CPU: 7922.35, 0.0029191/step Wall: 7922.35, 0.0029191/step, 1.9005 hours remaining, 209.367188 MB of memory in use. ENERGY: 2656200 722.2660 2125.1197 1910.1696 128.0015 -205740.4827 17620.1153 0.0000 0.0000 34195.7517 -149039.0588 298.6400 -183234.8105 -148945.8567 299.2278 -85.5686 -54.2211 558436.7149 0.2962 0.2412 LDB: ============= START OF LOAD BALANCING ============== 7925.9 LDB: ============== END OF LOAD BALANCING =============== 7925.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7925.9 LDB: ============= START OF LOAD BALANCING ============== 7926.19 LDB: Largest compute 4773 load 0.026648 is 22.5% of average load 0.118339 LDB: Average compute 0.001724 is 1.5% of average load 0.118339 LDB: TIME 7926.2 LOAD: AVG 0.118339 MAX 0.203185 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.797 MB LDB: TIME 7926.2 LOAD: AVG 0.118339 MAX 0.203185 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.801 MB LDB: TIME 7926.2 LOAD: AVG 0.118339 MAX 0.203185 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.801 MB LDB: ============== END OF LOAD BALANCING =============== 7926.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7926.2 PRESSURE: 2656400 105.6 -81.1808 -13.8351 -81.1797 -79.3633 -91.4269 -13.836 -91.4275 -101.325 GPRESSURE: 2656400 160.602 -59.062 -2.1908 -69.7779 -55.0621 -89.0513 -44.5894 -26.6531 -76.0552 PRESSAVG: 2656400 84.6623 -54.8471 -25.2711 -54.8471 -62.5503 40.2626 -25.271 40.2626 -11.7526 GPRESSAVG: 2656400 85.6781 -55.5479 -26.1225 -53.9316 -62.5888 37.6544 -24.459 41.2705 -12.942 TIMING: 2656400 CPU: 7922.95, 0.00299915/step Wall: 7922.95, 0.00299915/step, 1.95244 hours remaining, 208.015625 MB of memory in use. ENERGY: 2656400 753.1250 2128.9962 1965.3207 107.2498 -206202.2731 17641.7980 0.0000 0.0000 34295.4778 -149310.3056 299.5109 -183605.7834 -149221.1547 300.1022 -25.0296 9.8282 555322.3225 3.4531 3.3824 PRESSURE: 2656600 -43.5271 -75.5232 65.0877 -75.5232 -165.308 184.933 65.0872 184.932 -411.077 GPRESSURE: 2656600 -14.7108 -50.7581 62.9566 -115.213 -152.378 170.26 107.432 213.856 -357.112 PRESSAVG: 2656600 122.118 -25.0106 -36.9545 -25.0105 -75.7014 93.3976 -36.9545 93.3976 -65.5478 GPRESSAVG: 2656600 120.763 -22.3763 -34.7545 -26.8016 -75.8796 92.8564 -38.6846 93.1716 -64.0504 TIMING: 2656600 CPU: 7923.54, 0.00293599/step Wall: 7923.54, 0.00293599/step, 1.91117 hours remaining, 208.218750 MB of memory in use. ENERGY: 2656600 757.3946 2060.4176 1919.9183 105.3661 -205723.2330 17353.3469 0.0000 0.0000 34146.2024 -149380.5871 298.2073 -183526.7894 -149288.3493 299.0424 -206.6375 -174.7336 557227.8044 -6.3771 -6.3890 PRESSURE: 2656800 97.2837 13.8552 163.6 13.8555 -14.8079 157.446 163.599 157.446 -178.704 GPRESSURE: 2656800 150.77 62.6032 165.406 -46.8792 15.7939 95.9085 139.528 217.408 -174.888 PRESSAVG: 2656800 72.7834 -20.9588 -4.22366 -20.9588 -4.92692 36.3687 -4.22365 36.3687 -57.3194 GPRESSAVG: 2656800 73.2136 -21.7878 -4.73412 -18.726 -4.90767 37.1897 -3.88347 36.2318 -58.0783 TIMING: 2656800 CPU: 7924.13, 0.00293253/step Wall: 7924.13, 0.00293253/step, 1.90875 hours remaining, 208.218750 MB of memory in use. ENERGY: 2656800 737.0304 2053.7182 1927.4943 111.5544 -206117.2241 17643.0557 0.0000 0.0000 34323.8724 -149320.4987 299.7589 -183644.3711 -149225.6365 299.0949 -32.0759 -2.7746 556228.9542 3.5124 3.4092 PRESSURE: 2657000 -15.8939 -62.3226 -20.5947 -62.323 -53.8799 -30.2155 -20.5949 -30.2161 193.329 GPRESSURE: 2657000 15.0246 -137.06 -34.7414 -32.3543 22.8047 -107.636 -78.246 -57.2742 194.197 PRESSAVG: 2657000 67.0447 36.549 24.247 36.549 -2.54575 3.981 24.247 3.98088 -47.8373 GPRESSAVG: 2657000 67.4655 35.8912 24.7421 33.9691 -3.00023 4.42704 24.4958 1.96919 -48.0089 TIMING: 2657000 CPU: 7924.72, 0.00298155/step Wall: 7924.72, 0.00298155/step, 1.9405 hours remaining, 208.218750 MB of memory in use. ENERGY: 2657000 742.7905 2086.5364 1923.6212 101.6166 -205985.6920 17588.6167 0.0000 0.0000 34358.1033 -149184.4072 300.0579 -183542.5105 -149084.4892 299.8436 41.1851 77.3422 556591.1456 5.5539 5.4855 PRESSURE: 2657200 -329.7 -44.4244 -138.363 -44.4235 -50.6065 21.9282 -138.364 21.9286 -99.7431 GPRESSURE: 2657200 -338.053 -84.2412 -191.242 -16.7023 17.7585 48.3576 -98.9263 34.2263 -60.6824 PRESSAVG: 2657200 -4.21119 -11.8218 7.29411 -11.8217 5.80701 -21.1404 7.29427 -21.1404 -19.1475 GPRESSAVG: 2657200 -3.47686 -12.171 6.7685 -9.31938 4.76396 -20.7415 8.87359 -19.583 -18.5841 TIMING: 2657200 CPU: 7925.31, 0.00295959/step Wall: 7925.31, 0.00295959/step, 1.92604 hours remaining, 208.218750 MB of memory in use. ENERGY: 2657200 747.8047 2098.3892 1921.4530 101.7135 -205936.6841 17582.5876 0.0000 0.0000 34233.0292 -149251.7069 298.9656 -183484.7361 -149158.3605 299.3538 -160.0166 -126.9924 558419.9183 -5.8506 -5.7657 PRESSURE: 2657400 -36.2263 -20.4035 -30.4701 -20.402 76.7511 -111.579 -30.4699 -111.579 22.8664 GPRESSURE: 2657400 7.68736 134.147 -8.11172 -114.742 117.493 -142.808 -204.351 -115.047 34.0005 PRESSAVG: 2657400 27.0462 -40.024 4.56902 -40.0241 33.0524 30.2098 4.56896 30.2098 -14.8401 GPRESSAVG: 2657400 26.5582 -38.8315 3.42551 -41.8357 33.2612 30.4578 3.7538 27.6892 -14.564 TIMING: 2657400 CPU: 7925.91, 0.00295687/step Wall: 7925.91, 0.00295687/step, 1.9241 hours remaining, 208.218750 MB of memory in use. ENERGY: 2657400 746.0520 2121.2005 1933.3513 135.1973 -206250.3240 17842.1854 0.0000 0.0000 34078.9061 -149393.4315 297.6196 -183472.3376 -149297.7461 299.0998 21.1304 53.0602 558602.9972 15.0862 15.0851 PRESSURE: 2657600 230.641 -101.179 205.382 -101.18 38.5285 72.6998 205.381 72.7016 149.861 GPRESSURE: 2657600 260.215 -210.021 235.898 -95.022 90.5743 108.473 225.051 43.4988 167.892 PRESSAVG: 2657600 -35.8075 -15.6154 22.1374 -15.6155 56.0353 -55.0415 22.1373 -55.0414 -63.2521 GPRESSAVG: 2657600 -36.7033 -14.8616 24.6551 -15.9319 57.7237 -53.2873 22.3131 -53.9679 -63.5923 TIMING: 2657600 CPU: 7926.5, 0.00295061/step Wall: 7926.5, 0.00295061/step, 1.91986 hours remaining, 208.218750 MB of memory in use. ENERGY: 2657600 764.0590 2053.3905 1936.6653 125.3830 -206465.4283 18039.0050 0.0000 0.0000 34148.1634 -149398.7621 298.2244 -183546.9255 -149303.8625 298.8283 139.6770 172.8938 557511.8983 -14.3414 -14.1906 PRESSURE: 2657800 -164.47 12.457 -122.786 12.4576 238.147 -168.902 -122.786 -168.902 -234.257 GPRESSURE: 2657800 -118.568 -65.6506 -107.096 71.524 270.164 -110.119 -111.518 -98.7348 -215.329 PRESSAVG: 2657800 17.4722 -2.42335 -18.6462 -2.42341 20.9212 -31.6806 -18.6462 -31.6807 -6.28364 GPRESSAVG: 2657800 18.5623 -1.62729 -19.3312 -4.47235 20.1877 -35.4178 -17.4405 -29.5517 -7.10866 TIMING: 2657800 CPU: 7927.09, 0.00295664/step Wall: 7927.09, 0.00295664/step, 1.92362 hours remaining, 208.218750 MB of memory in use. ENERGY: 2657800 766.3070 2120.5592 1938.9585 120.3669 -206183.7982 17628.1228 0.0000 0.0000 34093.6526 -149515.8311 297.7483 -183609.4837 -149427.0069 298.9791 -53.5267 -21.2443 556862.0018 10.7032 10.5471 PRESSURE: 2658000 -43.4951 -103.342 -30.3776 -103.344 -43.9253 124.16 -30.378 124.162 -78.1839 GPRESSURE: 2658000 -25.8452 -7.53874 43.9153 -176.292 -0.545919 163.253 -131.09 121.136 -41.9247 PRESSAVG: 2658000 -48.4117 -57.3294 13.9145 -57.3294 38.2723 22.3104 13.9144 22.3104 25.2139 GPRESSAVG: 2658000 -49.4668 -59.961 13.0161 -53.4002 38.3301 23.9195 11.8556 18.654 26.021 TIMING: 2658000 CPU: 7927.68, 0.00295508/step Wall: 7927.68, 0.00295508/step, 1.92245 hours remaining, 208.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2658000 724.9874 2118.3788 1929.2093 116.6917 -206244.2341 17744.5815 0.0000 0.0000 34012.5438 -149597.8417 297.0400 -183610.3855 -149506.1642 298.4635 -55.2014 -22.7720 557039.1351 5.0248 4.9614 PRESSURE: 2658200 -156.264 12.3638 -78.5044 12.3631 -173.598 -73.1671 -78.5044 -73.1683 -206.253 GPRESSURE: 2658200 -197.961 54.2136 -92.8693 26.5584 -147.798 -79.3179 -2.65113 -78.6044 -100.12 PRESSAVG: 2658200 13.2141 18.5126 49.262 18.5126 1.84474 27.2647 49.262 27.2646 -13.6001 GPRESSAVG: 2658200 14.104 19.0462 48.4539 16.6234 3.16435 27.422 51.3533 29.4856 -15.1986 TIMING: 2658200 CPU: 7928.27, 0.00294681/step Wall: 7928.27, 0.00294681/step, 1.9169 hours remaining, 208.218750 MB of memory in use. ENERGY: 2658200 734.4958 2085.0251 1918.8714 118.1783 -206106.5464 17506.2941 0.0000 0.0000 34111.4526 -149632.2291 297.9038 -183743.6817 -149527.0917 298.1316 -178.7050 -148.6264 557448.7989 0.4863 0.6899 PRESSURE: 2658400 210.264 -61.5286 -101.099 -61.5269 23.8886 119.28 -101.099 119.28 -86.1695 GPRESSURE: 2658400 318.997 -157.986 -75.0088 -38.5201 1.17392 73.4588 -37.67 139.028 -83.4093 PRESSAVG: 2658400 -24.8563 10.3598 9.40346 10.36 60.2582 54.1006 9.40348 54.1006 -12.8936 GPRESSAVG: 2658400 -24.3766 11.2685 8.71346 9.50289 59.6861 52.5535 9.12306 55.0813 -12.8566 TIMING: 2658400 CPU: 7928.86, 0.00294033/step Wall: 7928.86, 0.00294033/step, 1.91252 hours remaining, 208.218750 MB of memory in use. ENERGY: 2658400 720.7966 2056.3771 1905.8270 115.4999 -206235.8342 17661.9669 0.0000 0.0000 34202.1176 -149573.2491 298.6956 -183775.3667 -149470.4317 298.4610 49.3277 78.9206 555386.0038 7.5027 7.4843 PRESSURE: 2658600 -136.135 89.7489 -66.3723 89.7506 -91.5187 160.056 -66.3738 160.056 153.019 GPRESSURE: 2658600 -113.454 83.3928 -48.1625 133.369 -22.089 202.913 -109.359 159.545 143.62 PRESSAVG: 2658600 -32.4084 14.3376 38.7803 14.3376 42.5368 46.6795 38.7804 46.6795 -73.6291 GPRESSAVG: 2658600 -32.6167 13.6034 39.2046 17.7792 43.5955 47.7111 39.0585 44.6821 -74.4763 TIMING: 2658600 CPU: 7929.44, 0.00293984/step Wall: 7929.44, 0.00293984/step, 1.91204 hours remaining, 208.218750 MB of memory in use. ENERGY: 2658600 742.1964 2063.4126 1925.9052 110.2015 -206305.0540 17824.3776 0.0000 0.0000 34112.2064 -149526.7545 297.9104 -183638.9608 -149424.2789 298.4726 -24.8780 2.6924 557401.3664 -21.1669 -21.1659 PRESSURE: 2658800 -212.903 135.557 72.8166 135.558 -71.995 -70.3489 72.816 -70.3497 117.918 GPRESSURE: 2658800 -125.396 68.8028 82.4104 176.472 -51.1526 -49.0859 -2.53703 -64.9174 109.472 PRESSAVG: 2658800 -27.2654 -44.2069 22.4773 -44.2068 16.689 -49.1787 22.4772 -49.1787 5.00815 GPRESSAVG: 2658800 -27.8662 -42.9709 23.4637 -48.2566 16.3831 -49.2736 21.792 -48.2529 5.99793 TIMING: 2658800 CPU: 7930.03, 0.0029415/step Wall: 7930.03, 0.0029415/step, 1.91295 hours remaining, 208.218750 MB of memory in use. ENERGY: 2658800 742.3067 2038.5197 1927.3414 100.5958 -206266.3123 17747.9982 0.0000 0.0000 34326.2413 -149383.3092 299.7796 -183709.5505 -149292.5320 299.1342 -55.6601 -22.3590 557193.2843 -1.8561 -1.8284 PRESSURE: 2659000 296.392 150.397 49.1017 150.396 18.8376 69.8977 49.1024 69.8984 261.295 GPRESSURE: 2659000 356.416 143.506 71.8646 106.209 55.8276 82.6141 -4.12941 11.8281 262.92 PRESSAVG: 2659000 10.7944 62.5719 23.8488 62.5719 -60.9423 20.8869 23.8488 20.8868 -2.16966 GPRESSAVG: 2659000 10.9654 62.4687 23.4871 65.8963 -61.1895 23.418 21.8839 20.0457 -2.10097 TIMING: 2659000 CPU: 7930.62, 0.00293783/step Wall: 7930.62, 0.00293783/step, 1.9104 hours remaining, 208.218750 MB of memory in use. ENERGY: 2659000 748.2447 2141.5564 1918.0229 110.4333 -206452.5387 17938.8599 0.0000 0.0000 34114.3760 -149481.0456 297.9293 -183595.4216 -149390.8881 298.5406 192.1749 225.0545 556631.6966 -17.4392 -17.4417 PRESSURE: 2659200 -257.135 -101.933 12.293 -101.934 -48.3019 114.707 12.2935 114.708 -79.1992 GPRESSURE: 2659200 -185.546 -133.286 -33.4383 -95.8282 -53.4616 177.7 25.8084 53.2702 -37.2519 PRESSAVG: 2659200 37.9202 23.0715 5.45046 23.0715 -37.414 0.765539 5.45048 0.765582 14.6062 GPRESSAVG: 2659200 37.8032 22.5268 3.46776 22.1115 -38.0926 -1.87028 7.74912 1.38826 14.7097 TIMING: 2659200 CPU: 7931.2, 0.0029221/step Wall: 7931.2, 0.0029221/step, 1.90002 hours remaining, 208.218750 MB of memory in use. ENERGY: 2659200 764.2168 2097.7424 1925.4834 108.5525 -206040.4248 17645.1785 0.0000 0.0000 34094.1194 -149405.1318 297.7524 -183499.2512 -149310.2025 298.6887 -128.2119 -92.0866 556889.3763 5.0375 4.8067 PRESSURE: 2659400 -102.505 -120.988 -24.0088 -120.989 -85.6204 -146.375 -24.0089 -146.376 -2.71094 GPRESSURE: 2659400 -119.954 -189.079 -16.2942 -50.8735 -48.8797 -177.47 -13.1944 -101.36 92.063 PRESSAVG: 2659400 -14.4893 -69.7041 -36.1394 -69.7041 -7.68471 32.7035 -36.1395 32.7036 20.6801 GPRESSAVG: 2659400 -14.3135 -70.2419 -34.1129 -69.3083 -7.78095 33.5411 -36.9827 33.2814 20.4641 TIMING: 2659400 CPU: 7931.79, 0.0029219/step Wall: 7931.79, 0.0029219/step, 1.89972 hours remaining, 208.218750 MB of memory in use. ENERGY: 2659400 740.5257 2063.8071 1918.9042 124.2992 -206245.9612 17874.2608 0.0000 0.0000 33961.0663 -149563.0978 296.5904 -183524.1641 -149476.3449 298.2878 -63.6121 -25.5902 558616.0211 -0.4980 -0.5434 PRESSURE: 2659600 -136.239 -158.406 44.4003 -158.407 -66.3822 48.0896 44.4029 48.09 -170.755 GPRESSURE: 2659600 -140.122 -91.018 59.7079 -203.495 -48.388 28.1201 62.2457 81.3227 -80.573 PRESSAVG: 2659600 10.8093 12.7097 12.6322 12.7097 42.8077 44.9219 12.6323 44.922 -40.3582 GPRESSAVG: 2659600 10.3353 13.6714 14.8911 14.1291 43.3411 45.3667 11.3195 43.9711 -40.9817 TIMING: 2659600 CPU: 7932.38, 0.00293547/step Wall: 7932.38, 0.00293547/step, 1.90838 hours remaining, 208.218750 MB of memory in use. ENERGY: 2659600 709.4756 2083.9603 1924.0708 106.6219 -206234.7216 17653.3684 0.0000 0.0000 34176.7063 -149580.5182 298.4737 -183757.2246 -149487.2581 298.5953 -124.4585 -89.6943 557738.7200 4.4196 4.2316 PRESSURE: 2659800 33.0939 -212.449 58.0029 -212.45 24.9804 -89.4639 58.0026 -89.4632 -75.6335 GPRESSURE: 2659800 3.68123 -207.502 55.4738 -100.631 119.484 -58.1408 105.221 -40.351 -60.9103 PRESSAVG: 2659800 -34.5397 -41.731 54.7671 -41.731 43.2119 42.3746 54.7671 42.3745 -3.33548 GPRESSAVG: 2659800 -34.5174 -42.2034 52.4848 -41.8179 43.3306 42.7417 55.2224 41.1482 -3.00613 TIMING: 2659800 CPU: 7932.96, 0.00294099/step Wall: 7932.96, 0.00294099/step, 1.91181 hours remaining, 208.218750 MB of memory in use. ENERGY: 2659800 734.6762 2113.7436 1934.6044 102.7461 -206037.2413 17611.5079 0.0000 0.0000 34170.8423 -149369.1208 298.4225 -183539.9631 -149275.5352 298.4439 -5.8530 20.7518 556427.2024 1.7789 1.9357 PRESSURE: 2660000 -10.9044 -62.2176 -0.529251 -62.2185 5.71603 -95.6226 -0.528863 -95.6235 2.81689 GPRESSURE: 2660000 34.4363 -35.6112 -67.128 -69.4034 49.1981 -79.1627 -20.9002 -128.224 12.3268 PRESSAVG: 2660000 12.4784 32.4335 98.0487 32.4335 4.22799 11.0326 98.0486 11.0326 23.4237 GPRESSAVG: 2660000 13.3917 33.2842 101.226 29.3401 3.53472 11.0116 96.0406 10.2529 23.0092 TIMING: 2660000 CPU: 7933.56, 0.00297138/step Wall: 7933.56, 0.00297138/step, 1.9314 hours remaining, 208.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2660000 754.1297 2140.0671 1952.9949 94.9045 -206026.9693 17720.2766 0.0000 0.0000 34259.4162 -149105.1803 299.1960 -183364.5965 -149011.3865 299.1660 -0.7905 31.9871 556499.4160 13.3767 13.3118 PRESSURE: 2660200 201.823 -25.2771 -144.724 -25.2768 -111.398 -8.32546 -144.724 -8.32596 12.6048 GPRESSURE: 2660200 233.389 -21.0911 -222.99 -57.2554 -99.4993 35.1076 -116.766 -21.4709 66.98 PRESSAVG: 2660200 11.9679 45.9362 -13.0455 45.936 6.04826 3.88717 -13.0455 3.88729 -26.4484 GPRESSAVG: 2660200 12.3601 46.6815 -17.3578 47.0943 6.28942 2.75412 -9.16678 6.40989 -26.6744 TIMING: 2660200 CPU: 7934.15, 0.00295895/step Wall: 7934.15, 0.00295895/step, 1.92315 hours remaining, 208.218750 MB of memory in use. ENERGY: 2660200 769.4206 2100.7442 1930.4683 112.7936 -206182.4930 17966.5852 0.0000 0.0000 34304.8503 -148997.6308 299.5928 -183302.4811 -148898.0472 300.3980 34.3435 66.9565 558208.9285 -2.8108 -2.6749 LDB: ============= START OF LOAD BALANCING ============== 7937.69 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7937.69 LDB: =============== DONE WITH MIGRATION ================ 7937.7 LDB: ============= START OF LOAD BALANCING ============== 7937.99 LDB: Largest compute 4773 load 0.026300 is 22.2% of average load 0.118322 LDB: Average compute 0.001731 is 1.5% of average load 0.118322 LDB: TIME 7937.99 LOAD: AVG 0.118322 MAX 0.201473 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.223 MB LDB: TIME 7937.99 LOAD: AVG 0.118322 MAX 0.201473 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.227 MB LDB: TIME 7937.99 LOAD: AVG 0.118322 MAX 0.201473 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.227 MB LDB: ============== END OF LOAD BALANCING =============== 7937.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7938 PRESSURE: 2660400 43.6886 188.398 11.6901 188.399 -18.8973 231.725 11.6899 231.725 -118.793 GPRESSURE: 2660400 71.527 159.106 18.6302 147.405 52.9578 205.429 -21.2092 270.324 -113.971 PRESSAVG: 2660400 56.8721 69.7166 -2.74748 69.7166 -13.2655 -21.9609 -2.74748 -21.961 -57.2851 GPRESSAVG: 2660400 55.9409 68.9361 0.268211 68.2026 -12.1174 -21.1029 -4.47021 -23.2321 -57.1702 TIMING: 2660400 CPU: 7934.75, 0.00299648/step Wall: 7934.75, 0.00299648/step, 1.94738 hours remaining, 208.015625 MB of memory in use. ENERGY: 2660400 776.7976 2116.2849 1927.9548 113.7907 -205833.8752 17601.7578 0.0000 0.0000 34323.3861 -148973.9034 299.7547 -183297.2895 -148875.0608 300.3776 -31.3340 3.5047 558349.0522 -4.5595 -4.4489 PRESSURE: 2660600 -4.07916 45.8769 -83.8278 45.8767 -274.087 -7.49345 -83.828 -7.49318 -40.0794 GPRESSURE: 2660600 -32.2951 9.55518 -77.8569 25.8981 -133.99 31.8072 -79.5516 -27.2222 -73.5885 PRESSAVG: 2660600 71.7778 7.0219 -3.25882 7.02184 -45.4513 -13.759 -3.25881 -13.7591 -17.3721 GPRESSAVG: 2660600 71.0023 8.42345 -3.7162 8.8215 -45.7055 -14.0015 -1.94734 -13.7521 -16.2483 TIMING: 2660600 CPU: 7935.34, 0.00294984/step Wall: 7935.34, 0.00294984/step, 1.9169 hours remaining, 208.015625 MB of memory in use. ENERGY: 2660600 745.8490 2112.5516 1957.6265 105.3375 -205840.9493 17639.0295 0.0000 0.0000 34227.5863 -149052.9690 298.9180 -183280.5553 -148956.2927 299.3468 -106.0818 -79.9579 558643.8480 2.9848 3.0161 PRESSURE: 2660800 -17.6283 122.385 -51.4743 122.384 -279.602 -108.623 -51.4749 -108.625 148.155 GPRESSURE: 2660800 -21.037 90.8119 -33.9788 110.027 -213.66 -103.426 -88.6793 -153.766 186.488 PRESSAVG: 2660800 67.9438 20.2854 46.5988 20.2853 -32.8292 -57.5961 46.5988 -57.5961 -63.5178 GPRESSAVG: 2660800 68.6345 18.4616 45.8571 19.7468 -32.7197 -58.4791 46.2613 -56.8196 -64.4522 TIMING: 2660800 CPU: 7935.93, 0.00294173/step Wall: 7935.93, 0.00294173/step, 1.91147 hours remaining, 208.140625 MB of memory in use. ENERGY: 2660800 707.5922 2069.6155 1957.8919 111.4991 -205577.0178 17543.4959 0.0000 0.0000 34270.4274 -148916.4959 299.2922 -183186.9233 -148819.0298 299.7820 -49.6920 -16.0695 557910.5602 -9.4677 -9.5124 PRESSURE: 2661000 193.055 -6.87621 8.84789 -6.87659 -70.0794 -118.818 8.84745 -118.819 52.6444 GPRESSURE: 2661000 187.958 91.2671 10.5968 11.3062 -33.584 -63.4993 -27.1498 -144.891 124.639 PRESSAVG: 2661000 20.4502 17.32 63.044 17.32 -27.342 -31.249 63.044 -31.249 19.2661 GPRESSAVG: 2661000 20.803 18.1578 62.1907 18.9123 -27.3577 -31.5127 61.8501 -30.0715 19.3323 TIMING: 2661000 CPU: 7936.52, 0.00294319/step Wall: 7936.52, 0.00294319/step, 1.91225 hours remaining, 208.140625 MB of memory in use. ENERGY: 2661000 739.9211 2083.8529 1893.4177 101.5208 -205858.9406 17765.7971 0.0000 0.0000 34465.4414 -148808.9896 300.9953 -183274.4311 -148712.8571 300.1851 58.5398 93.0042 557838.6269 4.1248 4.2592 PRESSURE: 2661200 -188.013 -37.8001 24.8627 -37.7995 -235.467 -12.1666 24.8623 -12.1685 -39.7548 GPRESSURE: 2661200 -116.011 15.054 -18.3964 -61.1552 -227.16 5.06518 -12.2399 34.1262 -34.626 PRESSAVG: 2661200 74.5498 4.49815 60.5741 4.4982 -43.351 -62.0211 60.5742 -62.0212 -22.8123 GPRESSAVG: 2661200 74.064 5.11154 60.1576 3.19309 -43.0358 -62.6912 61.4128 -64.7718 -22.5982 TIMING: 2661200 CPU: 7937.1, 0.00292154/step Wall: 7937.1, 0.00292154/step, 1.89803 hours remaining, 208.140625 MB of memory in use. ENERGY: 2661200 775.8398 2023.4359 1929.4210 107.9417 -205696.5843 17515.7712 0.0000 0.0000 34410.2555 -148933.9193 300.5133 -183344.1748 -148842.8783 300.0850 -154.4115 -125.9326 558623.3044 2.7955 2.8100 PRESSURE: 2661400 -107.822 121.088 -132.48 121.088 -117.148 34.0713 -132.48 34.0727 98.6209 GPRESSURE: 2661400 -42.5163 145.297 -99.3229 99.7607 -90.9273 -10.4444 -13.5213 117.32 108.352 PRESSAVG: 2661400 -18.3364 49.9509 13.2942 49.9509 41.7806 -0.839145 13.2943 -0.839147 -32.1287 GPRESSAVG: 2661400 -18.3136 49.4515 14.3874 49.3378 41.6838 -1.33922 12.8515 3.76811 -31.447 TIMING: 2661400 CPU: 7937.69, 0.00294935/step Wall: 7937.69, 0.00294935/step, 1.91593 hours remaining, 208.140625 MB of memory in use. ENERGY: 2661400 734.6113 2056.4008 1898.6073 99.5842 -205671.3762 17627.6049 0.0000 0.0000 34346.3643 -148908.2034 299.9553 -183254.5677 -148815.8930 299.9075 -42.1163 -8.3640 558512.9991 -2.8948 -2.6923 PRESSURE: 2661600 -221.117 16.4528 4.42087 16.4523 -185.148 -38.8727 4.42062 -38.873 -313.084 GPRESSURE: 2661600 -215.966 101.691 -61.2929 -4.70728 -88.764 -54.3688 7.26757 -5.03116 -312.59 PRESSAVG: 2661600 11.1886 -11.9329 -15.0514 -11.933 66.9286 -4.59718 -15.0515 -4.59721 -48.4178 GPRESSAVG: 2661600 11.4121 -10.722 -13.5189 -9.99135 68.1855 -3.96964 -15.9915 -6.76294 -50.199 TIMING: 2661600 CPU: 7938.29, 0.00298653/step Wall: 7938.29, 0.00298653/step, 1.93992 hours remaining, 208.140625 MB of memory in use. ENERGY: 2661600 787.6538 2031.9555 1926.9176 113.6447 -205788.7217 17638.6334 0.0000 0.0000 34419.7696 -148870.1471 300.5964 -183289.9167 -148778.9788 300.0689 -239.7832 -205.7733 559233.9747 9.8998 9.7995 PRESSURE: 2661800 -176.946 53.6426 148.504 53.6414 -252.412 93.582 148.504 93.5822 -168.152 GPRESSURE: 2661800 -179.437 154.935 148.146 -36.3153 -255.279 76.4092 182.51 -28.6431 -70.7694 PRESSAVG: 2661800 60.7906 -34.3012 14.9268 -34.3013 11.0986 36.4378 14.9267 36.4378 -58.5705 GPRESSAVG: 2661800 60.6533 -36.1654 14.5682 -32.4104 10.1121 38.7573 15.334 35.0608 -57.074 TIMING: 2661800 CPU: 7938.88, 0.00298742/step Wall: 7938.88, 0.00298742/step, 1.94033 hours remaining, 208.140625 MB of memory in use. ENERGY: 2661800 743.4584 2057.5655 1930.8150 118.6793 -205754.8375 17425.8911 0.0000 0.0000 34529.6514 -148948.7769 301.5560 -183478.4283 -148846.3991 300.3478 -199.1703 -168.4951 556538.0595 4.4396 4.5638 PRESSURE: 2662000 153.202 -68.5057 45.1035 -68.505 -31.662 80.6318 45.1033 80.632 -111.004 GPRESSURE: 2662000 219.455 -91.1029 50.9328 11.72 29.8183 54.7804 26.1727 49.5875 -148.901 PRESSAVG: 2662000 11.0224 -0.989196 40.7405 -0.989086 49.387 14.4451 40.7405 14.445 -44.6189 GPRESSAVG: 2662000 11.1528 0.975611 42.4414 -2.20811 48.9888 14.5313 39.2493 14.6676 -44.0891 TIMING: 2662000 CPU: 7939.48, 0.00299572/step Wall: 7939.48, 0.00299572/step, 1.94556 hours remaining, 208.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2662000 735.8534 2078.5340 1953.8520 124.4479 -206111.2769 17778.5146 0.0000 0.0000 34465.9970 -148974.0780 301.0001 -183440.0750 -148875.7525 300.2170 3.5122 33.4575 557391.0736 5.2635 5.3508 PRESSURE: 2662200 -36.1354 46.0002 -128.637 45.9985 79.504 -31.4426 -128.637 -31.4414 127.718 GPRESSURE: 2662200 5.63476 34.3408 -181.333 11.8261 74.7677 -78.4651 -138.562 -9.94798 191.9 PRESSAVG: 2662200 32.3987 -36.8023 -48.1348 -36.8025 7.76371 -42.5181 -48.1348 -42.5181 -5.62326 GPRESSAVG: 2662200 31.9223 -38.7311 -49.8315 -36.5187 8.13958 -43.7016 -47.5798 -41.8752 -5.93571 TIMING: 2662200 CPU: 7940.08, 0.00299503/step Wall: 7940.08, 0.00299503/step, 1.94494 hours remaining, 208.140625 MB of memory in use. ENERGY: 2662200 732.9704 2023.6536 1940.7592 105.3093 -206064.1701 17921.3039 0.0000 0.0000 34225.9818 -149114.1919 298.9040 -183340.1737 -149011.2662 299.6619 57.0288 90.7675 556959.3452 11.5130 11.3754 PRESSURE: 2662400 -104.473 256.906 -116.153 256.907 15.7433 -81.5985 -116.153 -81.6004 256.212 GPRESSURE: 2662400 -91.006 272.59 -102.239 191.169 44.7354 -154.383 -77.6085 -58.9398 308.966 PRESSAVG: 2662400 -54.5699 32.6183 0.789393 32.6183 101.985 10.3146 0.789385 10.3146 -68.701 GPRESSAVG: 2662400 -53.5001 31.7003 2.83602 32.0618 102.199 10.3573 0.958001 10.1765 -69.7717 TIMING: 2662400 CPU: 7940.68, 0.00297937/step Wall: 7940.68, 0.00297937/step, 1.9346 hours remaining, 208.140625 MB of memory in use. ENERGY: 2662400 714.1842 2110.2147 1930.9434 133.4362 -206353.9423 17930.0981 0.0000 0.0000 34410.8737 -149124.1919 300.5187 -183535.0656 -149024.8918 299.7048 55.8274 87.5651 557755.3702 -7.0954 -7.0243 PRESSURE: 2662600 110.457 -41.4611 37.9354 -41.4612 214.874 2.23307 37.9359 2.2325 -55.7371 GPRESSURE: 2662600 139.108 -47.9925 -44.6266 -104.815 157.345 -11.4823 17.4932 -20.1059 58.4045 PRESSAVG: 2662600 -64.8541 -7.08577 15.4308 -7.08586 32.3668 28.1705 15.4308 28.1705 62.2882 GPRESSAVG: 2662600 -64.2195 -4.23982 13.3257 -7.61594 29.5629 27.8843 16.3642 29.3532 64.414 TIMING: 2662600 CPU: 7941.27, 0.00297317/step Wall: 7941.27, 0.00297317/step, 1.93041 hours remaining, 208.140625 MB of memory in use. ENERGY: 2662600 740.5250 2144.3145 1934.9160 115.9474 -206119.3398 17848.6912 0.0000 0.0000 34228.0171 -149106.9287 298.9218 -183334.9458 -149014.8478 299.3857 89.8648 118.2860 557663.5245 9.9336 9.9192 PRESSURE: 2662800 -329.836 54.8269 195.4 54.8269 -156.981 211.544 195.4 211.543 -282.713 GPRESSURE: 2662800 -255.972 45.3467 241.797 82.1752 -118.224 141.004 143.854 204.866 -291.151 PRESSAVG: 2662800 -58.7471 34.8667 31.1777 34.8668 -2.30719 21.8375 31.1776 21.8374 63.7844 GPRESSAVG: 2662800 -59.1188 34.8175 32.8339 34.6426 -0.218043 22.7394 31.1101 20.6976 62.6879 TIMING: 2662800 CPU: 7941.87, 0.0029607/step Wall: 7941.87, 0.0029607/step, 1.92215 hours remaining, 208.140625 MB of memory in use. ENERGY: 2662800 717.8854 2083.8517 1928.3671 123.0915 -205474.4889 17146.3212 0.0000 0.0000 34335.5304 -149139.4417 299.8607 -183474.9721 -149044.4448 299.8846 -256.5102 -221.7823 558146.9178 0.9101 1.1170 PRESSURE: 2663000 -291.41 159.751 -4.62918 159.751 -129.273 17.902 -4.63018 17.9001 -127.454 GPRESSURE: 2663000 -191.483 133.478 176.104 98.7614 -141.181 51.5221 -55.6933 29.5557 -129.46 PRESSAVG: 2663000 -44.155 13.9243 -28.2623 13.9243 35.7462 20.9886 -28.2622 20.9887 33.7983 GPRESSAVG: 2663000 -45.2396 10.6137 -27.2448 13.7934 36.8119 22.8352 -29.1515 20.3577 33.6649 TIMING: 2663000 CPU: 7942.46, 0.00295288/step Wall: 7942.46, 0.00295288/step, 1.91691 hours remaining, 208.140625 MB of memory in use. ENERGY: 2663000 776.9757 2111.4111 1920.0561 104.0996 -205923.6588 17662.5701 0.0000 0.0000 34055.1563 -149293.3899 297.4121 -183348.5462 -149198.1110 299.1868 -182.7126 -154.0414 558218.8451 8.4632 8.4124 PRESSURE: 2663200 212 -129.405 122.837 -129.405 -371.489 -60.0537 122.836 -60.0529 -165.083 GPRESSURE: 2663200 275.975 -115.974 119.084 -115.061 -361.049 -4.59629 101.286 -135.271 -135.392 PRESSAVG: 2663200 12.2655 -20.2767 -11.6593 -20.2766 -21.9239 -11.9997 -11.6593 -11.9996 -8.76702 GPRESSAVG: 2663200 13.8142 -17.7525 -12.0401 -19.5289 -22.8568 -15.5839 -11.3696 -11.1025 -9.08437 TIMING: 2663200 CPU: 7943.05, 0.00295959/step Wall: 7943.05, 0.00295959/step, 1.92111 hours remaining, 208.140625 MB of memory in use. ENERGY: 2663200 763.3028 2066.6658 1945.3366 124.4373 -206001.4980 17573.1197 0.0000 0.0000 34154.2441 -149374.3916 298.2775 -183528.6357 -149284.0020 298.7991 -108.1906 -73.4886 557096.2498 -6.1418 -6.0423 PRESSURE: 2663400 -271.839 24.0135 -95.5838 24.0144 -132.318 79.8366 -95.5838 79.8369 -9.88076 GPRESSURE: 2663400 -231.49 62.8786 -92.3756 25.1631 -119.381 44.1155 -107.376 167.799 38.8309 PRESSAVG: 2663400 51.0676 -34.4871 -25.5677 -34.4871 -30.6882 27.393 -25.5679 27.393 11.1 GPRESSAVG: 2663400 50.2917 -35.7434 -25.5587 -34.8403 -30.5773 27.1803 -25.5753 29.4107 11.4406 TIMING: 2663400 CPU: 7943.64, 0.00294791/step Wall: 7943.64, 0.00294791/step, 1.91336 hours remaining, 208.140625 MB of memory in use. ENERGY: 2663400 773.5152 2073.8824 1940.0833 116.8736 -206296.6291 17673.8542 0.0000 0.0000 34460.6617 -149257.7588 300.9535 -183718.4204 -149154.6313 299.5074 -138.0125 -104.0136 556198.6295 10.4931 10.3850 PRESSURE: 2663600 0.602756 91.875 -13.3923 91.874 -122.539 -71.0668 -13.3926 -71.0637 -12.7952 GPRESSURE: 2663600 -3.01798 115.818 -33.2827 6.14664 -32.4156 -21.9298 -30.0489 -169.259 -1.2606 PRESSAVG: 2663600 -82.1999 -71.9539 14.2278 -71.9539 99.0057 -40.9352 14.2279 -40.9353 39.5267 GPRESSAVG: 2663600 -81.9014 -71.9778 13.9097 -72.5114 99.1305 -38.9257 13.8594 -43.3849 39.3584 TIMING: 2663600 CPU: 7944.23, 0.00296647/step Wall: 7944.23, 0.00296647/step, 1.92524 hours remaining, 208.140625 MB of memory in use. ENERGY: 2663600 754.7307 2104.9304 1939.0866 131.0957 -206246.7686 17861.7147 0.0000 0.0000 34233.5165 -149221.6940 298.9698 -183455.2104 -149121.1342 300.4268 -44.9106 -12.2314 556638.5000 18.7775 18.8625 PRESSURE: 2663800 -142.816 -79.144 19.4381 -79.144 143.901 -1.90486 19.4367 -1.90533 17.1865 GPRESSURE: 2663800 -127.09 -150.467 27.9247 18.1184 121.3 -12.66 32.866 64.8194 121.604 PRESSAVG: 2663800 -68.788 -14.8027 9.61987 -14.8026 20.2154 38.1407 9.61973 38.1408 74.3422 GPRESSAVG: 2663800 -68.5674 -15.6729 8.75575 -12.4666 21.0144 37.0272 11.5912 39.3302 73.6659 TIMING: 2663800 CPU: 7944.82, 0.0029627/step Wall: 7944.82, 0.0029627/step, 1.92263 hours remaining, 208.140625 MB of memory in use. ENERGY: 2663800 725.2089 2066.9489 1914.0891 95.3203 -206317.9515 17937.9106 0.0000 0.0000 34211.2817 -149367.1921 298.7756 -183578.4737 -149265.0656 299.6201 6.0906 38.6048 557839.0532 8.5899 8.7043 PRESSURE: 2664000 37.5138 59.1659 4.94499 59.1665 -26.1343 -62.398 4.9433 -62.3981 44.3213 GPRESSURE: 2664000 38.9679 84.2106 48.5295 142.225 33.5132 -63.3658 -14.1076 47.3147 76.1899 PRESSAVG: 2664000 -68.2565 35.7362 -6.05844 35.7363 11.3635 -33.9613 -6.05855 -33.9613 20.6547 GPRESSAVG: 2664000 -67.7758 37.2106 -7.29049 33.1975 10.0024 -31.5022 -5.44738 -34.2964 21.4079 TIMING: 2664000 CPU: 7945.41, 0.00292151/step Wall: 7945.41, 0.00292151/step, 1.89573 hours remaining, 208.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2664000 754.1850 2127.8650 1943.4483 112.2685 -206225.7193 17814.4463 0.0000 0.0000 34126.0517 -149347.4545 298.0313 -183473.5061 -149258.2979 299.0408 18.5669 49.5570 557568.0662 -12.0794 -12.1218 PRESSURE: 2664200 237.519 -116.545 -55.0534 -116.545 30.5574 -227.725 -55.0536 -227.724 170.438 GPRESSURE: 2664200 230.389 -92.5317 -92.8782 -90.6498 138.515 -259.794 -79.3782 -222.908 170.014 PRESSAVG: 2664200 18.0863 32.924 -41.2313 32.9241 -30.6739 -52.4088 -41.2313 -52.4088 36.5566 GPRESSAVG: 2664200 16.6485 33.0957 -40.3672 34.223 -29.5194 -52.2507 -44.437 -53.699 36.7456 TIMING: 2664200 CPU: 7946, 0.00295458/step Wall: 7946, 0.00295458/step, 1.91703 hours remaining, 208.378906 MB of memory in use. ENERGY: 2664200 717.2831 2074.6873 1931.7649 109.4835 -206455.2807 17949.3593 0.0000 0.0000 34214.6144 -149458.0881 298.8047 -183672.7025 -149358.4271 298.3596 146.1715 179.6392 557915.7416 7.9897 7.9582 LDB: ============= START OF LOAD BALANCING ============== 7949.55 LDB: ============== END OF LOAD BALANCING =============== 7949.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7949.55 LDB: ============= START OF LOAD BALANCING ============== 7949.85 LDB: Largest compute 4773 load 0.026811 is 22.7% of average load 0.118317 LDB: Average compute 0.001734 is 1.5% of average load 0.118317 LDB: TIME 7949.85 LOAD: AVG 0.118317 MAX 0.20461 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.535 MB LDB: TIME 7949.85 LOAD: AVG 0.118317 MAX 0.20461 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.535 MB LDB: TIME 7949.85 LOAD: AVG 0.118317 MAX 0.20461 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.535 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7949.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7949.85 PRESSURE: 2664400 -170.614 25.3057 -140.822 25.3049 55.9947 44.578 -140.823 44.5781 -3.2083 GPRESSURE: 2664400 -85.3233 -27.5067 -190.167 29.9031 32.9019 58.5409 -99.3575 34.2215 29.4772 PRESSAVG: 2664400 -25.3552 20.6531 -21.0875 20.6532 -21.1648 -57.6151 -21.0874 -57.615 24.9857 GPRESSAVG: 2664400 -24.9736 20.2178 -21.7946 19.2924 -22.0717 -56.3157 -18.6932 -56.9221 25.1434 TIMING: 2664400 CPU: 7946.6, 0.00303112/step Wall: 7946.6, 0.00303112/step, 1.96653 hours remaining, 207.816406 MB of memory in use. ENERGY: 2664400 751.8451 2067.5955 1924.1040 112.2075 -206330.6705 17932.1579 0.0000 0.0000 34079.7886 -149462.9718 297.6273 -183542.7604 -149373.1216 298.6282 -39.2760 -7.6480 557726.1650 -7.1781 -7.3006 PRESSURE: 2664600 -227.94 242.436 42.7453 242.437 -235.707 83.0966 42.7459 83.0973 6.11549 GPRESSURE: 2664600 -178.965 265.228 2.97623 131.991 -207.094 61.8332 14.6341 141.203 24.6069 PRESSAVG: 2664600 8.18954 60.9197 34.0535 60.9196 -0.708042 22.7006 34.0534 22.7007 14.0629 GPRESSAVG: 2664600 9.1364 61.5988 35.1896 60.4868 0.090272 19.5883 31.3436 23.8407 12.4404 TIMING: 2664600 CPU: 7947.19, 0.00293531/step Wall: 7947.19, 0.00293531/step, 1.9042 hours remaining, 207.816406 MB of memory in use. ENERGY: 2664600 759.7655 2032.8791 1939.3375 121.0730 -206257.3496 17655.4190 0.0000 0.0000 34076.1856 -149672.6899 297.5958 -183748.8754 -149576.1943 298.6017 -152.5103 -120.4841 556918.3655 7.1815 7.2224 PRESSURE: 2664800 88.9318 3.51848 -92.6492 3.51714 288.341 -121.261 -92.6497 -121.262 136.294 GPRESSURE: 2664800 108.716 45.2331 -90.2786 26.2665 312.74 -109.535 -81.9138 -144.036 192.724 PRESSAVG: 2664800 53.1797 40.4865 33.62 40.4865 3.50044 25.9701 33.62 25.9702 -53.5299 GPRESSAVG: 2664800 51.7228 40.5529 32.4427 40.2835 3.22553 24.8077 36.0444 25.9877 -51.8568 TIMING: 2664800 CPU: 7947.78, 0.00295699/step Wall: 7947.78, 0.00295699/step, 1.9181 hours remaining, 207.816406 MB of memory in use. ENERGY: 2664800 730.9057 2063.7457 1918.3277 95.5842 -206550.9837 18086.6247 0.0000 0.0000 34118.1443 -149537.6513 297.9622 -183655.7956 -149446.8553 298.2318 171.1890 204.7265 556637.6230 1.0501 1.0305 PRESSURE: 2665000 -46.1725 3.46748 84.004 3.46827 -50.1334 158.009 84.0039 158.01 79.7317 GPRESSURE: 2665000 -7.08897 -46.8793 103.256 -7.88685 18.1013 115.939 113.085 167.503 70.1302 PRESSAVG: 2665000 27.2877 31.2333 -22.3063 31.2333 -1.95754 13.4217 -22.3062 13.4217 11.5168 GPRESSAVG: 2665000 27.7981 29.7126 -20.5688 32.1937 -2.3279 15.1054 -23.1406 13.3325 11.4547 TIMING: 2665000 CPU: 7948.37, 0.00293167/step Wall: 7948.37, 0.00293167/step, 1.90151 hours remaining, 207.816406 MB of memory in use. ENERGY: 2665000 774.4228 2077.0527 1930.0313 115.4542 -206537.5952 17922.8624 0.0000 0.0000 34320.2420 -149397.5299 299.7272 -183717.7719 -149307.1366 298.7466 -5.5247 27.0475 556769.1181 12.2823 12.3083 PRESSURE: 2665200 -325.464 -8.7372 -21.8183 -8.7399 -411.37 -198.91 -21.8193 -198.911 -144.091 GPRESSURE: 2665200 -321.61 21.8045 -91.3544 34.3588 -381.329 -154.577 -42.2561 -213.113 -87.5926 PRESSAVG: 2665200 8.01764 34.2141 -39.4043 34.2143 -10.3284 15.6476 -39.4042 15.6476 35.4225 GPRESSAVG: 2665200 7.65462 34.5979 -39.3422 33.44 -9.42005 16.7696 -39.617 15.2466 34.8966 TIMING: 2665200 CPU: 7948.96, 0.002936/step Wall: 7948.96, 0.002936/step, 1.90416 hours remaining, 207.816406 MB of memory in use. ENERGY: 2665200 749.5185 2147.7463 1927.0906 115.9235 -206177.6890 17511.0371 0.0000 0.0000 34380.1954 -149346.1776 300.2508 -183726.3730 -149249.7634 299.3235 -293.6416 -263.5107 558369.8561 11.0373 11.0437 PRESSURE: 2665400 -302.503 22.2045 -85.5239 22.2031 244.587 82.0565 -85.5244 82.0565 181.328 GPRESSURE: 2665400 -203.386 42.1636 -106.029 -85.1234 263.055 50.2773 -44.7045 54.6571 161.33 PRESSAVG: 2665400 -54.5053 -10.0179 -19.8545 -10.0179 -10.7 9.4945 -19.8545 9.49458 2.3141 GPRESSAVG: 2665400 -54.4438 -9.82723 -21.006 -11.077 -10.5906 9.39118 -18.0624 9.83796 1.9425 TIMING: 2665400 CPU: 7949.55, 0.00297027/step Wall: 7949.55, 0.00297027/step, 1.92622 hours remaining, 207.816406 MB of memory in use. ENERGY: 2665400 711.0953 2174.4001 1911.4290 114.5669 -206200.3222 17768.8685 0.0000 0.0000 34232.0467 -149287.9156 298.9570 -183519.9624 -149196.4233 299.3340 41.1377 73.6661 556461.2727 -20.9637 -21.0306 PRESSURE: 2665600 -157.055 -68.2734 3.36395 -68.2717 350.445 -60.8905 3.36455 -60.8934 -204.12 GPRESSURE: 2665600 -126.884 -119.356 39.3729 -45.1003 362.252 -18.9777 -61.4827 -41.4423 -135.578 PRESSAVG: 2665600 -44.004 20.6273 -36.0628 20.6273 50.0504 -65.9438 -36.0628 -65.9439 -24.4483 GPRESSAVG: 2665600 -43.4936 21.1824 -36.6878 22.0128 49.5333 -64.6554 -36.5777 -66.5389 -24.2081 TIMING: 2665600 CPU: 7950.15, 0.00297142/step Wall: 7950.15, 0.00297142/step, 1.9268 hours remaining, 207.816406 MB of memory in use. ENERGY: 2665600 743.8353 2152.8995 1944.3072 110.3589 -206204.1641 17757.2647 0.0000 0.0000 34098.8896 -149396.6088 297.7941 -183495.4984 -149292.5546 299.1135 -3.5770 33.2632 555823.2363 -6.1340 -6.0561 PRESSURE: 2665800 -238.137 -165.849 -19.6765 -165.847 -76.6138 -122.044 -19.6754 -122.044 -324.301 GPRESSURE: 2665800 -166.298 -201.614 -77.1215 -126.363 -48.5761 -99.0637 15.87 -96.6828 -316.76 PRESSAVG: 2665800 -81.8207 38.991 28.319 38.9909 99.3509 -1.72735 28.3189 -1.72736 15.8624 GPRESSAVG: 2665800 -82.2414 39.47 29.7875 38.0637 99.3665 -2.3905 27.3373 -1.00481 16.5653 TIMING: 2665800 CPU: 7950.73, 0.00293939/step Wall: 7950.73, 0.00293939/step, 1.90587 hours remaining, 207.816406 MB of memory in use. ENERGY: 2665800 752.6076 2180.6108 1926.5328 112.0941 -206011.0045 17407.0990 0.0000 0.0000 34188.8908 -149443.1693 298.5801 -183632.0601 -149352.1136 298.5117 -213.0171 -177.2113 556584.6165 11.1309 11.2302 PRESSURE: 2666000 74.6174 -67.4876 -291.269 -67.486 -77.4119 -83.5733 -291.27 -83.5733 229.085 GPRESSURE: 2666000 95.5562 -79.6858 -239.143 -0.847826 -18.8382 -40.9288 -357.822 -78.7192 227.505 PRESSAVG: 2666000 8.53961 19.5711 20.9477 19.571 -38.3287 -19.507 20.9478 -19.5071 -14.575 GPRESSAVG: 2666000 7.97905 18.3839 18.9056 20.5594 -37.2667 -20.7432 23.2621 -18.2083 -14.7771 TIMING: 2666000 CPU: 7951.32, 0.00294949/step Wall: 7951.32, 0.00294949/step, 1.91226 hours remaining, 207.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2666000 722.6988 2119.7288 1960.9764 115.0037 -206614.7956 17991.9589 0.0000 0.0000 34071.6344 -149632.7946 297.5561 -183704.4290 -149536.6831 298.4519 75.4302 101.4076 556225.6847 -14.7880 -14.6882 PRESSURE: 2666200 -170.416 107.561 95.4733 107.56 370.078 -90.5892 95.4721 -90.5889 -17.7973 GPRESSURE: 2666200 -95.8863 44.2029 36.8719 77.9301 360.456 -101.001 162.205 -49.3842 6.37027 PRESSAVG: 2666200 -5.11143 6.22977 48.4403 6.22977 -5.83021 -51.2043 48.4404 -51.2043 -6.39286 GPRESSAVG: 2666200 -3.46999 5.88578 50.1662 7.53848 -7.10776 -51.1224 47.4348 -52.9764 -6.4442 TIMING: 2666200 CPU: 7951.92, 0.00296747/step Wall: 7951.92, 0.00296747/step, 1.92375 hours remaining, 207.816406 MB of memory in use. ENERGY: 2666200 735.5356 2093.0660 1944.0999 113.1362 -206557.6309 17823.3630 0.0000 0.0000 34199.9077 -149648.5225 298.6763 -183848.4302 -149554.2274 297.6949 60.6213 90.3134 556942.5359 -5.7782 -5.6740 PRESSURE: 2666400 305.51 36.5033 115.215 36.5032 -29.2106 92.907 115.214 92.906 -11.2281 GPRESSURE: 2666400 317.753 72.4063 139.084 -27.1717 0.489025 46.4132 139.152 146.376 50.1663 PRESSAVG: 2666400 6.4904 46.4096 30.8319 46.4096 -8.10792 -4.39603 30.8318 -4.39615 30.7625 GPRESSAVG: 2666400 5.70323 46.648 30.3171 45.2819 -6.81365 -3.37954 28.6632 -6.46837 30.4196 TIMING: 2666400 CPU: 7952.51, 0.00298207/step Wall: 7952.51, 0.00298207/step, 1.93305 hours remaining, 207.816406 MB of memory in use. ENERGY: 2666400 719.9233 2117.2277 1933.6905 106.5318 -207141.2406 18205.0681 0.0000 0.0000 34300.5193 -149758.2798 299.5550 -184058.7992 -149661.6331 297.9836 88.3572 122.8027 557571.4731 9.7150 9.7697 PRESSURE: 2666600 7.44895 140.485 -58.0874 140.484 230.817 195.499 -58.0871 195.497 215.937 GPRESSURE: 2666600 -14.1392 181.957 32.9051 87.2572 283.065 135.099 -9.59706 160.587 291.748 PRESSAVG: 2666600 -75.4942 44.0359 -4.84781 44.036 83.3267 -18.4126 -4.84789 -18.4127 -11.1132 GPRESSAVG: 2666600 -75.1193 43.2346 -2.97761 43.4277 81.7346 -19.8443 -6.72943 -15.8158 -9.87989 TIMING: 2666600 CPU: 7953.1, 0.00294251/step Wall: 7953.1, 0.00294251/step, 1.90724 hours remaining, 207.816406 MB of memory in use. ENERGY: 2666600 772.4822 2098.3500 1938.1146 116.9445 -207234.7429 18293.8020 0.0000 0.0000 34243.9138 -149771.1359 299.0606 -184015.0497 -149682.5329 298.3694 151.4012 186.8910 557280.3714 -1.0936 -1.0882 PRESSURE: 2666800 31.3936 180.423 296.593 180.422 353.398 83.5154 296.593 83.5168 208.452 GPRESSURE: 2666800 57.4929 92.0256 268.994 109.725 370.29 130.38 279.392 46.5464 263.019 PRESSAVG: 2666800 5.52716 76.1896 -65.5495 76.1897 -15.6123 4.72348 -65.5495 4.7235 30.9457 GPRESSAVG: 2666800 4.9462 78.3791 -69.0154 77.6379 -13.8703 5.94787 -60.8018 2.45456 29.6449 TIMING: 2666800 CPU: 7953.69, 0.00292828/step Wall: 7953.69, 0.00292828/step, 1.89785 hours remaining, 208.019531 MB of memory in use. ENERGY: 2666800 767.6641 2070.6442 1913.9085 122.3647 -206971.4300 18168.8476 0.0000 0.0000 34164.6194 -149763.3816 298.3681 -183928.0010 -149669.4714 298.0745 197.7480 230.2674 555572.0107 6.9535 6.9069 PRESSURE: 2667000 -88.2808 83.9711 184.855 83.971 -0.123044 -13.4848 184.856 -13.4835 250.238 GPRESSURE: 2667000 -86.4367 72.4532 237.652 152.371 33.6104 -17.9195 26.6662 32.6299 308.651 PRESSAVG: 2667000 -91.1312 7.99284 30.5004 7.99293 57.9227 -3.0846 30.5003 -3.08446 44.0348 GPRESSAVG: 2667000 -90.9133 7.66478 32.5366 6.36694 57.9325 -3.16729 28.8044 -1.90967 43.6546 TIMING: 2667000 CPU: 7954.28, 0.00295032/step Wall: 7954.28, 0.00295032/step, 1.91197 hours remaining, 208.019531 MB of memory in use. ENERGY: 2667000 712.2170 2073.7719 1916.5972 116.6420 -206565.6151 17986.3119 0.0000 0.0000 34126.8349 -149633.2402 298.0381 -183760.0751 -149541.9349 298.3031 53.9447 85.2749 555443.2221 3.6088 3.5579 PRESSURE: 2667200 62.9809 -29.3486 80.7847 -29.3504 -94.941 -111.244 80.7846 -111.243 304.124 GPRESSURE: 2667200 72.3907 77.9326 101.446 -119.838 -14.248 -172.991 85.1657 -106.842 334.059 PRESSAVG: 2667200 -55.5208 39.2259 60.842 39.2259 36.1415 11.6937 60.8419 11.6938 45.9081 GPRESSAVG: 2667200 -54.6116 38.8818 58.701 38.1948 36.1024 9.8158 62.342 14.8169 44.5721 TIMING: 2667200 CPU: 7954.87, 0.0029394/step Wall: 7954.87, 0.0029394/step, 1.90473 hours remaining, 208.019531 MB of memory in use. ENERGY: 2667200 718.1153 2077.3353 1906.0898 105.5312 -206108.4324 17792.2286 0.0000 0.0000 34063.2271 -149445.9052 297.4826 -183509.1322 -149358.2488 298.3537 90.7213 130.7339 554715.7866 8.8430 8.6877 PRESSURE: 2667400 -6.12665 109.106 32.6945 109.106 -143.209 -31.4351 32.6945 -31.4365 -187.963 GPRESSURE: 2667400 41.3356 117.362 3.2982 132.065 -128.657 -79.1917 100.567 58.4476 -144.823 PRESSAVG: 2667400 39.429 74.5821 36.2334 74.582 -53.2274 27.7655 36.2334 27.7656 7.52936 GPRESSAVG: 2667400 38.4697 74.5805 36.2279 75.0849 -52.939 27.9018 35.7685 26.7002 8.52019 TIMING: 2667400 CPU: 7955.45, 0.00294737/step Wall: 7955.45, 0.00294737/step, 1.90973 hours remaining, 208.019531 MB of memory in use. ENERGY: 2667400 728.5474 2077.2876 1949.0820 109.2286 -206344.1022 17812.6419 0.0000 0.0000 34049.8403 -149617.4744 297.3657 -183667.3147 -149522.6670 297.8692 -112.4329 -77.3816 558560.9218 -2.0897 -1.9831 PRESSURE: 2667600 11.5723 -21.9918 17.6183 -21.9915 22.6849 -30.3787 17.6165 -30.3785 -66.772 GPRESSURE: 2667600 53.9063 -15.6534 19.6417 -1.06553 14.431 19.1438 -0.589027 -111.293 -11.2802 PRESSAVG: 2667600 77.2137 42.5357 25.7905 42.5358 -21.0643 4.77685 25.7905 4.77672 -46.4019 GPRESSAVG: 2667600 77.4451 40.9222 27.7363 43.3298 -21.6601 4.2337 22.5118 4.95568 -45.8976 TIMING: 2667600 CPU: 7956.05, 0.00295995/step Wall: 7956.05, 0.00295995/step, 1.91772 hours remaining, 208.019531 MB of memory in use. ENERGY: 2667600 772.6831 2060.7831 1922.2577 100.1928 -206601.0338 17933.3126 0.0000 0.0000 34206.8210 -149604.9834 298.7367 -183811.8045 -149506.3726 297.6195 -10.8383 19.0190 556672.8305 3.2492 3.2958 PRESSURE: 2667800 -167.121 60.2837 170.69 60.2834 -54.8356 -1.39132 170.691 -1.39187 -170.135 GPRESSURE: 2667800 -127.908 15.5957 92.8126 142.83 -86.4857 5.75534 191.47 -41.0841 -77.5118 PRESSAVG: 2667800 -16.7034 20.0161 -32.2964 20.0161 7.87553 -61.0388 -32.2963 -61.0389 -3.10627 GPRESSAVG: 2667800 -15.8213 19.7234 -32.4695 19.3195 7.48245 -58.6462 -30.8646 -64.1562 -3.83526 TIMING: 2667800 CPU: 7956.64, 0.0029585/step Wall: 7956.64, 0.0029585/step, 1.91661 hours remaining, 208.019531 MB of memory in use. ENERGY: 2667800 711.4401 2063.8164 1918.1366 106.1878 -206087.3690 17540.7251 0.0000 0.0000 34207.4407 -149539.6223 298.7421 -183747.0630 -149437.5607 297.8023 -130.6972 -97.3020 559219.2753 -3.9781 -4.0580 PRESSURE: 2668000 -372.088 -14.8203 -13.2092 -14.8206 96.659 -116.173 -13.2079 -116.174 83.2622 GPRESSURE: 2668000 -321.614 -26.2907 -34.3807 34.8687 140.592 -65.9954 47.7592 -197.384 99.4968 PRESSAVG: 2668000 10.947 -27.053 24.2868 -27.0529 13.2039 -28.16 24.2868 -28.16 21.9581 GPRESSAVG: 2668000 9.92174 -24.5753 22.4621 -26.9285 13.4689 -31.2335 26.1504 -25.4819 22.7811 TIMING: 2668000 CPU: 7957.23, 0.00295011/step Wall: 7957.23, 0.00295011/step, 1.91102 hours remaining, 208.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2668000 708.5898 2105.9739 1922.9049 111.8547 -206507.0346 17921.2006 0.0000 0.0000 34332.9266 -149403.5840 299.8380 -183736.5106 -149308.6591 298.3441 -64.0557 -27.1752 557404.6192 15.3697 15.3906 PRESSURE: 2668200 105.681 131.235 -3.59062 131.236 47.0643 91.2165 -3.58989 91.218 122.17 GPRESSURE: 2668200 85.6486 139.937 30.4957 80.0742 125.741 30.3228 -38.1551 171.215 160.895 PRESSAVG: 2668200 0.971642 -1.89637 -6.28341 -1.89642 -26.0793 14.9089 -6.28342 14.9088 19.3127 GPRESSAVG: 2668200 1.88356 -2.23869 -6.37229 -0.679978 -26.1047 15.3033 -6.82835 14.1876 18.0764 TIMING: 2668200 CPU: 7957.82, 0.00294927/step Wall: 7957.82, 0.00294927/step, 1.91031 hours remaining, 208.019531 MB of memory in use. ENERGY: 2668200 728.9528 2059.5089 1934.8885 104.6616 -206355.0071 18031.1155 0.0000 0.0000 34120.1626 -149375.7173 297.9799 -183495.8799 -149276.8550 298.3227 91.6384 124.0949 557506.7266 -1.9317 -2.0483 LDB: ============= START OF LOAD BALANCING ============== 7961.36 LDB: ============== END OF LOAD BALANCING =============== 7961.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7961.37 LDB: ============= START OF LOAD BALANCING ============== 7961.66 LDB: Largest compute 4773 load 0.028297 is 23.9% of average load 0.118197 LDB: Average compute 0.001740 is 1.5% of average load 0.118197 LDB: TIME 7961.66 LOAD: AVG 0.118197 MAX 0.199399 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.824 MB LDB: TIME 7961.66 LOAD: AVG 0.118197 MAX 0.199399 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.883 MB LDB: TIME 7961.66 LOAD: AVG 0.118197 MAX 0.199399 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.883 MB LDB: ============== END OF LOAD BALANCING =============== 7961.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7961.67 PRESSURE: 2668400 -95.3127 -55.0488 -32.6247 -55.0482 132.159 -65.3332 -32.6241 -65.3323 45.1304 GPRESSURE: 2668400 -40.7536 18.4207 -79.5956 -85.9882 121.953 -157.805 -57.1682 -63.8268 89.3012 PRESSAVG: 2668400 -38.3769 -24.7868 -73.9195 -24.7868 0.223145 5.27958 -73.9194 5.27954 61.1235 GPRESSAVG: 2668400 -38.5124 -24.9063 -71.5718 -24.6067 -0.393279 6.48124 -76.4399 3.70433 61.278 TIMING: 2668400 CPU: 7958.42, 0.00300176/step Wall: 7958.42, 0.00300176/step, 1.94414 hours remaining, 206.847656 MB of memory in use. ENERGY: 2668400 743.5037 2111.7410 1938.2769 108.4926 -206224.7692 17890.0745 0.0000 0.0000 33856.8515 -149575.8289 295.6803 -183432.6804 -149479.9293 298.0880 27.3256 56.8337 557006.6191 7.6566 7.4574 PRESSURE: 2668600 -10.5814 -113.846 34.8644 -113.846 -238.509 -291.749 34.8653 -291.748 -179.941 GPRESSURE: 2668600 2.19904 -226.328 -28.5557 -54.6245 -196.707 -179.345 1.27785 -347.969 -131.576 PRESSAVG: 2668600 -2.37236 -51.6649 8.84845 -51.6649 17.214 -59.7337 8.84842 -59.7338 -6.96781 GPRESSAVG: 2668600 -2.89151 -52.8322 7.97159 -52.7687 16.5103 -60.3807 10.5059 -58.1868 -6.36074 TIMING: 2668600 CPU: 7959, 0.00292824/step Wall: 7959, 0.00292824/step, 1.89636 hours remaining, 207.046875 MB of memory in use. ENERGY: 2668600 734.8116 2074.3720 1946.5520 111.5614 -206124.9897 17537.4171 0.0000 0.0000 34187.3694 -149532.9064 298.5668 -183720.2757 -149445.9227 298.3078 -143.0102 -108.6947 554667.4970 2.6246 2.4193 PRESSURE: 2668800 -45.9957 -37.0639 -120.861 -37.0629 -44.5085 -25.0842 -120.861 -25.083 -43.9369 GPRESSURE: 2668800 65.1901 -66.0413 -62.5289 -70.3294 -67.09 15.8069 -104.105 -71.648 -30.8338 PRESSAVG: 2668800 17.1551 -29.869 6.06647 -29.869 10.7867 -35.1388 6.06648 -35.1388 28.899 GPRESSAVG: 2668800 17.4423 -29.9317 6.44574 -29.0171 12.0819 -33.9352 6.39998 -36.385 27.5715 TIMING: 2668800 CPU: 7959.59, 0.00294598/step Wall: 7959.59, 0.00294598/step, 1.90768 hours remaining, 207.046875 MB of memory in use. ENERGY: 2668800 730.1057 2068.4169 1943.5394 111.6830 -206464.1723 17860.8224 0.0000 0.0000 34213.4120 -149536.1930 298.7942 -183749.6050 -149438.1216 298.7278 -44.8137 -10.9112 555981.5892 18.9470 19.0319 PRESSURE: 2669000 -222.74 -41.503 130.908 -41.5027 27.6209 222.263 130.909 222.264 147.034 GPRESSURE: 2669000 -174.525 -51.1321 105.548 7.20606 76.3347 150.952 139.201 152.949 143.183 PRESSAVG: 2669000 -55.0316 4.5292 -25.1297 4.52912 11.7851 51.029 -25.1297 51.029 10.1439 GPRESSAVG: 2669000 -56.2281 6.97436 -25.2865 3.03366 11.6564 50.7446 -26.4984 50.4287 11.5259 TIMING: 2669000 CPU: 7960.19, 0.00296815/step Wall: 7960.19, 0.00296815/step, 1.92188 hours remaining, 207.046875 MB of memory in use. ENERGY: 2669000 773.8511 2039.7762 1917.9914 111.1935 -206424.6973 17780.9564 0.0000 0.0000 34427.5180 -149373.4108 300.6641 -183800.9288 -149275.9475 299.2427 -16.0285 14.9975 556317.6373 -11.0342 -11.0152 PRESSURE: 2669200 19.5515 -14.2397 -73.904 -14.2401 -30.0015 -252.038 -73.9048 -252.039 -194.289 GPRESSURE: 2669200 23.3951 -63.6407 -29.7239 57.6182 23.1872 -189.584 -138.992 -332.788 -159.103 PRESSAVG: 2669200 3.35357 10.126 13.7482 10.126 54.4072 -6.45159 13.7483 -6.45159 -15.7902 GPRESSAVG: 2669200 4.39754 9.56378 14.0358 10.914 54.839 -7.59162 14.0134 -6.24512 -17.0995 TIMING: 2669200 CPU: 7960.78, 0.00296869/step Wall: 7960.78, 0.00296869/step, 1.92206 hours remaining, 207.046875 MB of memory in use. ENERGY: 2669200 758.3463 2164.5425 1928.5828 96.4902 -206064.9124 17757.9555 0.0000 0.0000 34294.0741 -149064.9211 299.4987 -183358.9952 -148970.5152 300.1011 -68.2464 -37.5069 558371.0323 13.9902 14.0457 PRESSURE: 2669400 -147.325 47.6074 -125.141 47.6064 -48.5136 -185.784 -125.14 -185.783 -59.2226 GPRESSURE: 2669400 -86.6579 54.0345 -99.6657 74.2948 21.4522 -182.668 -175.382 -127.539 -78.4226 PRESSAVG: 2669400 -50.442 27.5327 11.7545 27.5327 39.8771 -29.6455 11.7546 -29.6454 29.3606 GPRESSAVG: 2669400 -50.3909 26.3582 12.2593 27.7939 38.785 -29.8729 12.316 -29.0501 30.1391 TIMING: 2669400 CPU: 7961.38, 0.00299644/step Wall: 7961.38, 0.00299644/step, 1.93986 hours remaining, 207.046875 MB of memory in use. ENERGY: 2669400 730.7335 2106.6726 1944.6318 110.7568 -206215.0161 17778.0085 0.0000 0.0000 34424.0042 -149120.2087 300.6334 -183544.2129 -149021.9280 299.5403 -85.0203 -47.8761 557819.0457 6.2652 6.1777 PRESSURE: 2669600 17.7533 106.085 60.5547 106.085 82.4975 86.343 60.5563 86.3429 -66.8204 GPRESSURE: 2669600 43.047 50.6825 25.6621 122.03 43.8347 121.243 73.468 87.9178 42.317 PRESSAVG: 2669600 -29.5896 -23.786 2.1936 -23.7859 7.59997 -10.3438 2.19357 -10.3438 48.8057 GPRESSAVG: 2669600 -30.3041 -23.9208 0.589874 -23.4051 8.16151 -9.54075 3.32257 -8.44266 48.9981 TIMING: 2669600 CPU: 7961.97, 0.00297406/step Wall: 7961.97, 0.00297406/step, 1.92521 hours remaining, 207.046875 MB of memory in use. ENERGY: 2669600 774.0672 2136.6623 1950.4371 104.0127 -206075.3531 17680.1425 0.0000 0.0000 34185.1232 -149244.9080 298.5472 -183430.0312 -149147.8829 299.6551 11.1435 43.0662 557763.4233 8.9387 8.9518 PRESSURE: 2669800 102.902 168.315 2.05347 168.315 -195.436 -27.4284 2.05399 -27.4284 202.714 GPRESSURE: 2669800 110.982 165.79 33.8801 257.128 -102.81 -11.2364 -35.7075 -9.00486 201.425 PRESSAVG: 2669800 7.60497 9.67751 -50.1684 9.67758 -66.5177 34.2623 -50.1683 34.2622 31.0721 GPRESSAVG: 2669800 7.71797 10.7065 -49.5069 11.4493 -67.7928 34.9044 -52.9528 32.4057 32.7599 TIMING: 2669800 CPU: 7962.57, 0.00297019/step Wall: 7962.57, 0.00297019/step, 1.92254 hours remaining, 207.046875 MB of memory in use. ENERGY: 2669800 753.0860 2078.5036 1957.4699 115.5724 -206193.9673 17840.0402 0.0000 0.0000 34288.4149 -149160.8803 299.4493 -183449.2953 -149061.1255 299.6229 36.7262 69.8659 556883.0829 -9.2802 -9.1050 PRESSURE: 2670000 50.2837 -123.117 139.762 -123.118 -92.0582 -49.9815 139.762 -49.9821 141.785 GPRESSURE: 2670000 77.9102 -213.408 173.829 -113.301 -88.6764 22.0131 111.152 -94.0592 194.134 PRESSAVG: 2670000 -11.4556 -85.4682 -9.10146 -85.4683 -71.2393 8.01443 -9.10155 8.0144 42.1313 GPRESSAVG: 2670000 -11.3628 -86.9904 -9.03208 -87.369 -69.5422 7.99593 -6.53666 7.58002 40.357 TIMING: 2670000 CPU: 7963.16, 0.00297821/step Wall: 7963.16, 0.00297821/step, 1.92756 hours remaining, 207.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2670000 731.8907 2099.7661 1955.3735 113.8176 -206129.2355 17883.5514 0.0000 0.0000 34263.7903 -149081.0460 299.2342 -183344.8363 -148984.4107 299.8140 33.3368 61.1227 558284.9782 -13.5212 -13.5160 PRESSURE: 2670200 -330.456 -31.9616 -44.4952 -31.9616 -152.385 -182.087 -44.4942 -182.086 41.8989 GPRESSURE: 2670200 -346.784 -59.7485 -10.1299 -7.63674 -117.324 -201.512 -19.9535 -131.701 120.248 PRESSAVG: 2670200 8.97226 -38.904 45.268 -38.904 53.6081 -7.20932 45.2681 -7.20946 1.87243 GPRESSAVG: 2670200 9.67725 -39.3713 44.697 -39.7974 51.6674 -8.61482 44.8764 -5.07657 3.40457 TIMING: 2670200 CPU: 7963.76, 0.00298229/step Wall: 7963.76, 0.00298229/step, 1.93004 hours remaining, 207.046875 MB of memory in use. ENERGY: 2670200 759.1816 2071.7841 1941.3744 122.5951 -205947.9774 17690.9458 0.0000 0.0000 34082.8093 -149279.2872 297.6537 -183362.0965 -149183.1834 299.1918 -146.9808 -114.6201 558326.9397 21.4842 21.5831 PRESSURE: 2670400 120.763 39.0344 -94.5185 39.034 371.798 -197.897 -94.5174 -197.897 195.565 GPRESSURE: 2670400 153.531 -5.96721 -94.7098 95.9467 395.142 -227.022 -38.403 -180.196 240.901 PRESSAVG: 2670400 -18.2256 -21.5863 -29.0768 -21.5863 5.42898 -68.958 -29.0768 -68.9582 -8.47135 GPRESSAVG: 2670400 -19.3761 -21.7099 -29.4846 -20.0402 6.18156 -66.5063 -28.5187 -71.9231 -7.87344 TIMING: 2670400 CPU: 7964.35, 0.00294336/step Wall: 7964.35, 0.00294336/step, 1.90468 hours remaining, 207.046875 MB of memory in use. ENERGY: 2670400 722.5611 2155.5834 1912.8231 114.6861 -206273.8431 18080.9364 0.0000 0.0000 34257.2033 -149030.0497 299.1767 -183287.2530 -148944.4746 299.7491 229.3755 263.1913 557550.4657 -7.0893 -7.0226 PRESSURE: 2670600 17.2218 161.546 70.271 161.547 -113.227 24.2922 70.272 24.2934 -79.5448 GPRESSURE: 2670600 3.7878 156.257 34.1252 155.671 -72.0786 57.8984 129.131 97.503 -20.915 PRESSAVG: 2670600 -45.3279 -61.8068 34.9747 -61.8068 0.267065 -28.5394 34.9746 -28.5393 42.1403 GPRESSAVG: 2670600 -45.0406 -61.4665 35.1323 -62.5903 1.53497 -30.0536 36.5941 -27.7093 40.3797 TIMING: 2670600 CPU: 7964.94, 0.00294729/step Wall: 7964.94, 0.00294729/step, 1.90706 hours remaining, 207.046875 MB of memory in use. ENERGY: 2670600 762.4767 2039.8544 1942.3129 114.2643 -205693.5847 17545.2704 0.0000 0.0000 34251.4458 -149037.9603 299.1264 -183289.4061 -148938.1600 299.7244 -58.5167 -29.7353 557367.5664 -0.9735 -1.0420 PRESSURE: 2670800 -6.68754 -12.9516 -57.0036 -12.9515 -76.1375 -11.6477 -57.003 -11.6447 -47.2258 GPRESSURE: 2670800 -30.5854 -61.8936 -90.5758 10.255 11.0434 9.6635 -38.3194 93.115 -19.7076 PRESSAVG: 2670800 -23.8104 -12.0552 -35.5771 -12.0551 15.7854 -5.60456 -35.577 -5.60448 -18.3556 GPRESSAVG: 2670800 -24.0038 -9.75224 -34.0955 -12.8915 15.5302 -8.84989 -37.5707 -5.36337 -17.9352 TIMING: 2670800 CPU: 7965.53, 0.00297233/step Wall: 7965.53, 0.00297233/step, 1.9231 hours remaining, 207.046875 MB of memory in use. ENERGY: 2670800 703.8381 2071.1958 1906.3327 121.9080 -206080.8719 17896.2603 0.0000 0.0000 34387.6405 -148993.6966 300.3158 -183381.3370 -148892.8130 299.6419 -43.3503 -13.0832 559119.8070 -8.7935 -8.8029 PRESSURE: 2671000 89.6888 142.792 -114.723 142.792 -121.657 -152.015 -114.723 -152.014 83.5936 GPRESSURE: 2671000 93.012 187.587 -127.72 109.884 -90.4212 -108.114 -82.8298 -127.748 140.277 PRESSAVG: 2671000 -16.805 -20.7841 10.5667 -20.7841 -11.4349 51.4126 10.5666 51.4126 9.32108 GPRESSAVG: 2671000 -16.7892 -22.011 8.93952 -19.7621 -11.6391 53.7401 9.69196 53.4987 9.53954 TIMING: 2671000 CPU: 7966.12, 0.00295542/step Wall: 7966.12, 0.00295542/step, 1.91199 hours remaining, 207.046875 MB of memory in use. ENERGY: 2671000 752.7964 2089.5539 1938.1665 125.1091 -206008.6008 17984.0649 0.0000 0.0000 34089.6523 -149029.2578 297.7134 -183118.9101 -148942.8040 299.8297 17.2084 47.6227 559781.8496 -6.3063 -6.2963 PRESSURE: 2671200 -187.234 -157.367 -150.887 -157.365 56.1832 -93.644 -150.887 -93.6433 59.2518 GPRESSURE: 2671200 -149.77 -159.836 -105.922 -176.303 93.4001 -36.0973 -179.32 -60.9339 82.9296 PRESSAVG: 2671200 -40.341 64.6474 4.95 64.6475 23.3536 58.7325 4.95004 58.7326 7.60209 GPRESSAVG: 2671200 -39.5134 65.4058 4.29673 64.0742 22.3644 57.8716 5.52954 57.1207 7.50833 TIMING: 2671200 CPU: 7966.71, 0.00294157/step Wall: 7966.71, 0.00294157/step, 1.90287 hours remaining, 207.046875 MB of memory in use. ENERGY: 2671200 764.4800 2093.3966 1916.3368 116.6481 -206289.6680 17857.1926 0.0000 0.0000 34405.5027 -149136.1113 300.4718 -183541.6139 -149050.3257 299.4562 -23.9329 8.8532 559333.2479 -3.1284 -3.2136 PRESSURE: 2671400 -22.6986 18.8625 99.1391 18.8638 80.8115 102.216 99.1385 102.216 223.73 GPRESSURE: 2671400 27.6968 20.5329 131.651 17.6946 93.6605 44.4151 81.548 88.9481 264.074 PRESSAVG: 2671400 -5.2217 61.9828 2.3398 61.9826 -25.1968 25.1652 2.33985 25.1652 26.7014 GPRESSAVG: 2671400 -5.24348 61.5287 3.74469 63.0588 -25.0577 26.5892 1.5273 23.959 27.0579 TIMING: 2671400 CPU: 7967.3, 0.0029558/step Wall: 7967.3, 0.0029558/step, 1.91191 hours remaining, 207.046875 MB of memory in use. ENERGY: 2671400 746.3399 2056.7649 1894.5201 112.7750 -206347.7492 18018.0593 0.0000 0.0000 34166.2295 -149353.0605 298.3822 -183519.2900 -149252.4926 299.3205 93.9478 128.4772 557583.4822 -1.2390 -1.0811 PRESSURE: 2671600 309.817 79.645 -21.6933 79.6454 -110.87 105.195 -21.6919 105.194 15.4967 GPRESSURE: 2671600 299.764 124.234 -18.9775 97.5706 -76.8426 212.577 59.5036 109.371 86.5427 PRESSAVG: 2671600 10.1274 31.0747 9.96978 31.0746 -2.71361 16.9754 9.96968 16.9754 -51.2415 GPRESSAVG: 2671600 9.5363 31.2869 8.69638 29.84 -1.1151 17.9577 12.9122 18.3517 -52.1306 TIMING: 2671600 CPU: 7967.9, 0.00296175/step Wall: 7967.9, 0.00296175/step, 1.91559 hours remaining, 207.046875 MB of memory in use. ENERGY: 2671600 749.6746 2103.7460 1919.4206 114.6355 -206582.1486 17984.8205 0.0000 0.0000 34312.2755 -149397.5759 299.6576 -183709.8514 -149311.7425 298.7813 71.4813 103.1549 557103.8983 -14.6092 -14.5698 PRESSURE: 2671800 -117.813 43.6512 -51.2979 43.6532 93.1922 13.205 -51.2975 13.2061 -251.472 GPRESSURE: 2671800 -115.126 51.9653 -39.9502 35.9193 156.385 61.4345 -93.711 -21.0488 -225.434 PRESSAVG: 2671800 17.8545 -14.4323 39.5852 -14.4323 -21.5448 25.315 39.5851 25.315 26.4714 GPRESSAVG: 2671800 19.7704 -13.2126 40.6658 -16.4442 -22.6836 23.8649 36.3143 25.1708 26.3451 TIMING: 2671800 CPU: 7968.5, 0.0029961/step Wall: 7968.5, 0.0029961/step, 1.93764 hours remaining, 207.046875 MB of memory in use. ENERGY: 2671800 729.7135 2080.5480 1963.1257 121.6921 -206461.5140 17840.8756 0.0000 0.0000 34301.4258 -149424.1334 299.5629 -183725.5592 -149328.5284 299.5462 -92.0310 -61.3919 557418.8392 7.5937 7.8106 PRESSURE: 2672000 34.5979 94.7797 17.6896 94.7818 71.7051 -14.5207 17.6902 -14.5199 167.762 GPRESSURE: 2672000 122.166 -2.21335 20.1489 164.996 101.079 2.2372 100.694 -4.5287 148.358 PRESSAVG: 2672000 8.90975 60.2719 9.27295 60.2718 8.99968 -88.5409 9.27301 -88.5407 -20.8107 GPRESSAVG: 2672000 7.27223 58.4962 8.41542 62.0791 8.99507 -87.8217 12.4733 -90.1161 -19.6607 TIMING: 2672000 CPU: 7969.09, 0.00296572/step Wall: 7969.09, 0.00296572/step, 1.91783 hours remaining, 207.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2672000 741.0704 2038.4783 1930.1630 111.5034 -205998.8462 17796.4513 0.0000 0.0000 34169.7461 -149211.4338 298.4129 -183381.1799 -149118.0841 298.8322 91.3551 123.8680 556205.0025 -0.9671 -1.1311 PRESSURE: 2672200 27.7152 77.4925 -135.487 77.4922 -70.931 60.7305 -135.488 60.7319 -153.424 GPRESSURE: 2672200 124.74 99.4735 -135.496 35.9809 -74.8121 86.5782 -103.226 42.4369 -146.521 PRESSAVG: 2672200 -11.8898 -24.3602 53.3843 -24.3601 -47.1919 -52.0873 53.3844 -52.0873 56.6437 GPRESSAVG: 2672200 -11.9722 -25.2737 53.1482 -24.8238 -46.4666 -52.7044 50.119 -50.5708 56.2333 TIMING: 2672200 CPU: 7969.68, 0.00296338/step Wall: 7969.68, 0.00296338/step, 1.91616 hours remaining, 207.046875 MB of memory in use. ENERGY: 2672200 763.5923 2072.9418 1932.5401 109.9993 -206229.9383 17798.6370 0.0000 0.0000 34326.7355 -149225.4924 299.7839 -183552.2278 -149129.1183 299.7264 -65.5466 -32.1979 557689.2993 -0.8127 -0.7352 LDB: ============= START OF LOAD BALANCING ============== 7973.23 LDB: ============== END OF LOAD BALANCING =============== 7973.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7973.23 LDB: ============= START OF LOAD BALANCING ============== 7973.53 LDB: Largest compute 4773 load 0.028824 is 24.4% of average load 0.118325 LDB: Average compute 0.001738 is 1.5% of average load 0.118325 LDB: TIME 7973.53 LOAD: AVG 0.118325 MAX 0.203753 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.27 MB LDB: TIME 7973.53 LOAD: AVG 0.118325 MAX 0.203753 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.27 MB LDB: TIME 7973.53 LOAD: AVG 0.118325 MAX 0.203753 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.27 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7973.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7973.54 PRESSURE: 2672400 -328.053 -30.6957 0.982155 -30.6948 -79.5932 -18.0484 0.982582 -18.0483 -445.588 GPRESSURE: 2672400 -331.752 -84.2984 1.84147 -45.5168 -45.4608 5.35376 -38.89 19.6231 -363.212 PRESSAVG: 2672400 -1.97337 49.1822 -22.8325 49.1821 79.2508 -88.8033 -22.8324 -88.8032 -51.2752 GPRESSAVG: 2672400 -1.34326 51.1888 -21.3485 50.0125 79.0382 -87.2159 -21.3222 -89.9893 -51.5575 TIMING: 2672400 CPU: 7970.29, 0.00302729/step Wall: 7970.29, 0.00302729/step, 1.95731 hours remaining, 206.531250 MB of memory in use. ENERGY: 2672400 726.8028 2089.9109 1900.1300 104.2156 -205778.3071 17404.2248 0.0000 0.0000 34406.8982 -149146.1248 300.4840 -183553.0230 -149050.1757 299.4656 -284.4114 -246.8082 557601.6596 8.6674 8.7125 PRESSURE: 2672600 194.677 127.294 77.8122 127.294 183.445 -31.752 77.8124 -31.753 -14.8882 GPRESSURE: 2672600 246.81 89.5972 120.697 127.248 190.885 10.4735 130.635 -42.8065 18.185 PRESSAVG: 2672600 -48.6201 69.0683 -38.1801 69.0683 44.5234 -8.80992 -38.1801 -8.80998 23.7813 GPRESSAVG: 2672600 -48.994 67.2532 -38.6525 68.7405 43.9542 -7.21048 -39.8876 -9.92533 24.3553 TIMING: 2672600 CPU: 7970.88, 0.00295803/step Wall: 7970.88, 0.00295803/step, 1.91237 hours remaining, 206.531250 MB of memory in use. ENERGY: 2672600 750.1029 2063.8502 1934.7710 95.1430 -206004.4643 17983.4312 0.0000 0.0000 34173.5825 -149003.5835 298.4464 -183177.1660 -148910.1211 300.1408 121.0781 151.9599 557711.7754 6.5615 6.4385 PRESSURE: 2672800 33.7445 28.1663 -120.506 28.1653 -52.4599 61.6362 -120.504 61.6387 -7.97048 GPRESSURE: 2672800 98.3534 55.9419 -114.85 -73.4585 -62.5435 88.6402 -119.144 87.7282 40.5987 PRESSAVG: 2672800 1.8089 -45.6517 -16.7589 -45.6518 -50.2514 -9.88272 -16.7589 -9.88279 22.4964 GPRESSAVG: 2672800 1.64213 -43.908 -18.2258 -45.1025 -49.6217 -12.2862 -15.4423 -8.9927 22.262 TIMING: 2672800 CPU: 7971.47, 0.00297313/step Wall: 7971.47, 0.00297313/step, 1.92196 hours remaining, 206.531250 MB of memory in use. ENERGY: 2672800 760.7909 2106.8567 1941.0243 121.1634 -205954.8003 17748.9621 0.0000 0.0000 34345.9615 -148930.0413 299.9518 -183276.0029 -148838.3650 300.7182 -8.8953 25.4695 557814.8914 -8.6487 -8.5725 PRESSURE: 2673000 -153.785 -10.5704 10.5496 -10.5697 -125.471 -34.492 10.5496 -34.4917 164.455 GPRESSURE: 2673000 -30.5242 39.3126 74.0445 -48.3001 -154.304 41.5875 27.2659 -109.099 194.501 PRESSAVG: 2673000 4.58969 -17.209 -37.2493 -17.209 -47.16 3.53344 -37.2493 3.53341 19.378 GPRESSAVG: 2673000 4.00804 -20.0134 -35.7786 -16.9137 -46.4985 4.60024 -38.5809 2.89262 19.7154 TIMING: 2673000 CPU: 7972.07, 0.00298955/step Wall: 7972.07, 0.00298955/step, 1.93241 hours remaining, 206.531250 MB of memory in use. ENERGY: 2673000 706.7588 2067.7271 1927.3506 97.7251 -205937.1176 17770.8013 0.0000 0.0000 34339.5573 -149027.1975 299.8959 -183366.7548 -148927.2729 300.1022 -38.2671 3.2241 558366.5370 -7.7308 -7.5917 PRESSURE: 2673200 -122.024 -49.8517 -75.0664 -49.851 -140.988 37.6352 -75.0666 37.6353 61.7595 GPRESSURE: 2673200 -103.861 -37.2083 -125.745 6.02116 -71.6161 74.1296 -125.082 -20.3264 66.488 PRESSAVG: 2673200 -31.2031 1.74931 25.8188 1.74932 -15.0968 -7.34869 25.8188 -7.34879 0.114661 GPRESSAVG: 2673200 -30.3317 4.41691 25.3213 1.66797 -16.3685 -6.88539 26.6017 -8.61162 0.0885916 TIMING: 2673200 CPU: 7972.67, 0.0029776/step Wall: 7972.67, 0.0029776/step, 1.92452 hours remaining, 206.531250 MB of memory in use. ENERGY: 2673200 732.5278 2081.4569 1928.9171 113.9882 -205668.7756 17664.3352 0.0000 0.0000 34176.7390 -148970.8116 298.4740 -183147.5506 -148873.7758 299.9071 -67.0844 -36.3297 558933.2276 -15.3951 -15.5372 PRESSURE: 2673400 -50.233 131.48 -44.4842 131.48 -1.21035 187.979 -44.4835 187.981 -111.307 GPRESSURE: 2673400 -17.3198 111.018 -81.5362 92.5672 7.12796 92.213 -25.1029 204.074 -63.9312 PRESSAVG: 2673400 33.5398 3.19451 19.7315 3.1945 -15.7084 2.05263 19.7315 2.05254 -1.89206 GPRESSAVG: 2673400 33.814 2.30942 20.4022 2.21649 -14.8515 1.61496 20.317 2.89992 -2.85865 TIMING: 2673400 CPU: 7973.26, 0.00295303/step Wall: 7973.26, 0.00295303/step, 1.90848 hours remaining, 206.531250 MB of memory in use. ENERGY: 2673400 700.7872 2144.4029 1926.8156 124.6538 -205665.0802 17623.7757 0.0000 0.0000 34260.4664 -148884.1787 299.2052 -183144.6451 -148789.1368 299.9658 -54.2501 -24.7077 558538.9126 5.3131 5.3679 PRESSURE: 2673600 195.517 140.623 -58.8554 140.623 38.4939 -34.197 -58.8568 -34.197 186.332 GPRESSURE: 2673600 227.196 92.9189 -31.0614 172.649 40.1126 -18.6496 -181.208 -43.1119 249.699 PRESSAVG: 2673600 -29.4259 -22.4074 3.15527 -22.4075 -52.9712 16.4545 3.15533 16.4545 55.4336 GPRESSAVG: 2673600 -30.4807 -22.1655 2.61888 -23.465 -53.0284 15.7244 3.88601 16.6002 56.1191 TIMING: 2673600 CPU: 7973.85, 0.00296267/step Wall: 7973.85, 0.00296267/step, 1.91455 hours remaining, 206.531250 MB of memory in use. ENERGY: 2673600 761.3559 2110.3410 1929.0887 117.1199 -206196.9155 18063.5188 0.0000 0.0000 34433.5776 -148781.9136 300.7170 -183215.4912 -148684.5618 300.1994 140.1143 172.3360 558323.5493 -8.9878 -9.1300 PRESSURE: 2673800 -167.195 -56.7945 15.9699 -56.7961 86.2064 -6.98895 15.9696 -6.9877 162.386 GPRESSURE: 2673800 -151.126 -32.0397 70.9297 -29.1629 94.7268 9.84396 98.254 6.2551 232.55 PRESSAVG: 2673800 -44.5172 -7.71995 12.6126 -7.71988 32.089 23.6586 12.6126 23.6586 49.3241 GPRESSAVG: 2673800 -43.8383 -8.6755 12.6968 -4.83464 32.0033 24.2777 12.4279 23.2607 48.9814 TIMING: 2673800 CPU: 7974.44, 0.00294494/step Wall: 7974.44, 0.00294494/step, 1.90292 hours remaining, 206.531250 MB of memory in use. ENERGY: 2673800 747.7818 2122.3094 1934.4595 104.7229 -205636.7794 17585.7479 0.0000 0.0000 34476.7003 -148665.0576 301.0936 -183141.7579 -148571.2511 300.6051 27.1326 58.7171 557047.7743 12.2987 12.3822 PRESSURE: 2674000 54.9677 -52.6785 -17.9227 -52.6783 -81.0257 9.04786 -17.9221 9.04694 -40.0127 GPRESSURE: 2674000 155.51 -55.9941 -10.7152 -4.03751 -112.536 -14.0925 -37.7555 69.6708 -10.337 PRESSAVG: 2674000 -9.34295 -30.5994 13.2104 -30.5993 -32.6401 33.7739 13.2105 33.7738 92.5545 GPRESSAVG: 2674000 -10.2543 -29.6248 13.3995 -31.3812 -32.4188 34.741 12.031 33.3275 93.1282 TIMING: 2674000 CPU: 7975.03, 0.00296049/step Wall: 7975.03, 0.00296049/step, 1.9128 hours remaining, 206.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2674000 743.5828 2121.1446 1947.8259 124.9271 -205541.4774 17600.2881 0.0000 0.0000 34344.8833 -148658.8257 299.9424 -183003.7089 -148559.7382 300.8524 -22.0236 10.8788 557433.1402 16.8571 16.8183 PRESSURE: 2674200 26.8012 -37.4559 18.4827 -37.4562 174.394 -16.8162 18.4834 -16.8171 126.848 GPRESSURE: 2674200 75.5485 -61.2748 23.1435 24.9305 162.887 10.509 7.74958 -60.0752 176.436 PRESSAVG: 2674200 -76.6407 -32.6534 -14.1752 -32.6534 29.6382 -3.0424 -14.1752 -3.04243 36.2173 GPRESSAVG: 2674200 -75.1335 -33.4676 -14.6425 -31.3337 29.0263 -4.60361 -13.7002 -2.59275 35.5559 TIMING: 2674200 CPU: 7975.62, 0.00295725/step Wall: 7975.62, 0.00295725/step, 1.91054 hours remaining, 206.531250 MB of memory in use. ENERGY: 2674200 717.4365 2130.3860 1900.9468 114.0167 -205975.0899 18053.9399 0.0000 0.0000 34360.0370 -148698.3270 300.0747 -183058.3640 -148600.2842 300.8755 109.3476 138.2906 558197.2625 -3.5951 -3.5171 PRESSURE: 2674400 -264.425 -35.357 37.492 -35.3567 -199.501 -117.896 37.4926 -117.895 -74.8158 GPRESSURE: 2674400 -229.264 -23.6871 106.719 -113.613 -171.929 -110.701 76.1335 -85.5335 -44.242 PRESSAVG: 2674400 -76.0613 -5.47422 -11.2955 -5.4743 59.7162 13.2129 -11.2956 13.2131 25.0763 GPRESSAVG: 2674400 -76.0349 -4.71643 -9.95041 -5.68204 59.2425 13.0095 -12.1814 14.3635 25.0431 TIMING: 2674400 CPU: 7976.21, 0.00296408/step Wall: 7976.21, 0.00296408/step, 1.9148 hours remaining, 206.531250 MB of memory in use. ENERGY: 2674400 749.0365 2152.4535 1963.9285 126.1117 -205943.6177 17556.9390 0.0000 0.0000 34620.6038 -148774.5447 302.3503 -183395.1485 -148679.9358 300.8111 -179.5807 -148.4782 558690.6190 2.9104 2.7502 PRESSURE: 2674600 -399.335 -97.9809 -57.3309 -97.9816 72.0579 140.063 -57.3304 140.064 -94.4042 GPRESSURE: 2674600 -329.914 -138.49 -69.9489 -97.5364 78.4784 141.047 -1.89707 209.417 -64.3088 PRESSAVG: 2674600 24.2772 -44.1008 10.8541 -44.1008 110.047 13.9026 10.8542 13.9025 -105.813 GPRESSAVG: 2674600 24.0129 -44.9086 8.40842 -44.1268 110.351 16.1069 13.1015 13.4868 -105.654 TIMING: 2674600 CPU: 7976.8, 0.00292625/step Wall: 7976.8, 0.00292625/step, 1.89019 hours remaining, 206.531250 MB of memory in use. ENERGY: 2674600 755.2228 2103.3747 1927.1821 126.4200 -205719.7294 17683.4209 0.0000 0.0000 34378.0816 -148746.0273 300.2323 -183124.1088 -148649.5725 300.4049 -140.5603 -105.2480 560447.8137 9.5040 9.5700 PRESSURE: 2674800 -136.963 60.8601 11.0511 60.859 -63.4361 -11.8175 11.0516 -11.8177 -244.667 GPRESSURE: 2674800 -91.9666 88.3043 0.00476838 -16.5991 -7.46987 -61.2056 8.9617 18.17 -226.325 PRESSAVG: 2674800 -78.2084 -26.8643 -10.6667 -26.8643 103.643 -32.8058 -10.6667 -32.8058 -34.9144 GPRESSAVG: 2674800 -78.0473 -26.4831 -9.27968 -29.3854 103.845 -34.5264 -13.7898 -32.1824 -34.9376 TIMING: 2674800 CPU: 7977.39, 0.00295165/step Wall: 7977.39, 0.00295165/step, 1.90644 hours remaining, 206.531250 MB of memory in use. ENERGY: 2674800 760.3016 2084.7647 1937.8178 114.4297 -206193.2066 17766.2097 0.0000 0.0000 34522.1870 -149007.4961 301.4908 -183529.6831 -148914.1651 299.9929 -148.3555 -108.5871 558738.4783 -3.1600 -3.0466 PRESSURE: 2675000 65.7713 50.1811 -52.1403 50.1808 30.2085 54.9972 -52.1405 54.9988 159.776 GPRESSURE: 2675000 143.918 38.3106 -129.837 100.219 8.35389 51.4301 35.0679 45.1621 185.74 PRESSAVG: 2675000 14.8468 -36.4551 -21.5914 -36.4551 41.1134 -17.1678 -21.5914 -17.1678 0.0608548 GPRESSAVG: 2675000 14.4722 -35.7994 -21.341 -34.6894 40.8226 -18.3807 -19.8998 -18.5027 0.400607 TIMING: 2675000 CPU: 7977.98, 0.00293955/step Wall: 7977.98, 0.00293955/step, 1.89846 hours remaining, 206.531250 MB of memory in use. ENERGY: 2675000 747.5961 2080.9044 1904.0510 118.1760 -206022.5692 17960.4610 0.0000 0.0000 34250.3436 -148961.0371 299.1168 -183211.3807 -148866.1387 299.7997 85.2518 112.6704 559147.8530 18.6737 18.5651 PRESSURE: 2675200 43.7269 -0.0496374 230.304 -0.0492749 368.601 135.825 230.303 135.826 -77.2664 GPRESSURE: 2675200 96.8986 -10.0167 163.409 26.8155 417.623 80.8907 206.125 188.086 -86.8057 PRESSAVG: 2675200 12.7523 48.2555 36.8163 48.2554 54.6879 32.8929 36.8162 32.893 -87.635 GPRESSAVG: 2675200 13.2986 47.7329 35.0127 48.2285 54.1596 34.702 38.1257 33.5891 -87.6211 TIMING: 2675200 CPU: 7978.57, 0.00293329/step Wall: 7978.57, 0.00293329/step, 1.89426 hours remaining, 206.531250 MB of memory in use. ENERGY: 2675200 736.0750 2122.1161 1945.4538 127.3606 -206125.9682 17895.9029 0.0000 0.0000 34322.8440 -148976.2158 299.7499 -183299.0598 -148883.3059 300.0496 111.6872 142.5718 558506.2432 -6.7316 -6.7210 PRESSURE: 2675400 326.328 1.32007 11.5476 1.31955 222.438 45.2406 11.5478 45.2416 -160.227 GPRESSURE: 2675400 330.806 44.0729 19.3054 -19.1049 251.457 26.4182 -11.1883 -11.5003 -97.9157 PRESSAVG: 2675400 48.8267 54.5937 78.8977 54.5936 -68.6971 9.34732 78.8976 9.34724 -20.5081 GPRESSAVG: 2675400 47.9093 53.8266 80.6116 54.2836 -67.5546 8.48169 77.4707 9.28261 -20.3441 TIMING: 2675400 CPU: 7979.15, 0.00294294/step Wall: 7979.15, 0.00294294/step, 1.90032 hours remaining, 206.531250 MB of memory in use. ENERGY: 2675400 727.4220 2064.6921 1950.9254 101.4200 -205944.6184 17835.1827 0.0000 0.0000 34271.2524 -148993.7238 299.2994 -183264.9762 -148892.8457 300.2375 129.5131 161.4489 558756.7058 -13.4595 -13.3298 PRESSURE: 2675600 75.3288 -42.2211 117.257 -42.221 -241.666 45.752 117.257 45.7525 -212.842 GPRESSURE: 2675600 98.0172 38.8713 32.2427 -83.6026 -121.984 71.0367 42.5477 61.0044 -242.216 PRESSAVG: 2675600 27.2627 -28.7898 54.8392 -28.7897 20.8283 -29.3856 54.8392 -29.3856 -31.178 GPRESSAVG: 2675600 27.6445 -27.199 54.0108 -29.5077 20.6276 -29.3 56.1156 -30.1045 -31.0512 TIMING: 2675600 CPU: 7979.74, 0.00293655/step Wall: 7979.74, 0.00293655/step, 1.89603 hours remaining, 206.531250 MB of memory in use. ENERGY: 2675600 775.1956 2103.9590 1932.5270 114.2224 -206014.9063 17725.0276 0.0000 0.0000 34356.5396 -149007.4350 300.0442 -183363.9747 -148915.3269 300.0405 -126.3931 -88.7276 558911.1082 5.6377 5.7403 PRESSURE: 2675800 -343.171 -56.5796 43.7899 -56.578 -309.917 -67.9024 43.7915 -67.9031 -99.0646 GPRESSURE: 2675800 -326.585 -69.9801 54.929 -74.4355 -260.717 -53.7076 -12.6601 -12.9489 -70.5611 PRESSAVG: 2675800 -21.3264 18.2742 17.0512 18.2741 5.52203 7.17489 17.0512 7.17482 35.4016 GPRESSAVG: 2675800 -21.7852 17.094 17.9491 20.1321 5.3611 7.77237 16.4694 6.22893 35.8593 TIMING: 2675800 CPU: 7980.33, 0.00295266/step Wall: 7980.33, 0.00295266/step, 1.90627 hours remaining, 206.531250 MB of memory in use. ENERGY: 2675800 740.8182 2086.0300 1926.5136 112.7001 -205791.4916 17434.1563 0.0000 0.0000 34388.7027 -149102.5707 300.3251 -183491.2734 -149009.5651 299.3652 -250.7175 -219.2877 558228.2217 6.5324 6.4784 PRESSURE: 2676000 -170.488 58.8115 -26.0681 58.8104 -15.124 82.5855 -26.0683 82.5847 -60.7721 GPRESSURE: 2676000 -144.048 69.7433 -145.236 66.2953 -37.1969 110.971 63.8777 42.9489 29.4276 PRESSAVG: 2676000 17.5718 7.10338 32.3268 7.10333 5.96993 62.8046 32.3268 62.8045 -11.724 GPRESSAVG: 2676000 18.7355 9.59531 30.2903 6.57888 6.40547 62.234 34.2378 63.1498 -13.1111 TIMING: 2676000 CPU: 7980.92, 0.00293925/step Wall: 7980.92, 0.00293925/step, 1.89745 hours remaining, 206.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2676000 760.7265 2077.2402 1925.8638 121.1515 -206013.1911 17746.0342 0.0000 0.0000 34287.1458 -149095.0289 299.4382 -183382.1747 -148997.8242 299.6310 -82.1281 -50.6056 558873.8209 3.9392 4.0100 PRESSURE: 2676200 -246.369 -52.4152 113.295 -52.4154 -26.5744 -133.847 113.295 -133.848 -7.7559 GPRESSURE: 2676200 -215.392 10.3184 89.3439 -54.7515 7.92843 -122.613 106.555 -230.183 26.0269 PRESSAVG: 2676200 -48.5259 -64.8806 28.688 -64.8806 36.4425 -24.3471 28.6881 -24.3472 -4.57612 GPRESSAVG: 2676200 -47.5184 -66.4614 29.3555 -67.6624 35.0532 -23.6438 28.8131 -24.9235 -4.32999 TIMING: 2676200 CPU: 7981.51, 0.0029516/step Wall: 7981.51, 0.0029516/step, 1.90526 hours remaining, 206.531250 MB of memory in use. ENERGY: 2676200 755.7846 2126.9408 1919.3969 104.1203 -206152.1506 17854.7519 0.0000 0.0000 34142.8936 -149248.2625 298.1784 -183391.1561 -149152.6009 299.4485 -93.5665 -60.4789 559122.0265 -5.5532 -5.5984 LDB: ============= START OF LOAD BALANCING ============== 7985.06 LDB: ============== END OF LOAD BALANCING =============== 7985.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7985.06 LDB: ============= START OF LOAD BALANCING ============== 7985.36 LDB: Largest compute 4773 load 0.028862 is 24.4% of average load 0.118166 LDB: Average compute 0.001738 is 1.5% of average load 0.118166 LDB: TIME 7985.36 LOAD: AVG 0.118166 MAX 0.201485 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.727 MB LDB: TIME 7985.36 LOAD: AVG 0.118166 MAX 0.201485 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.727 MB LDB: TIME 7985.36 LOAD: AVG 0.118166 MAX 0.201485 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.727 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7985.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7985.36 PRESSURE: 2676400 -112.994 -30.9273 -90.2341 -30.9262 39.5944 31.4723 -90.234 31.472 -192.835 GPRESSURE: 2676400 -46.4659 -4.11538 -148.889 -76.1234 -7.98575 37.1814 -94.232 44.7588 -126.199 PRESSAVG: 2676400 -83.7461 -24.028 44.0955 -24.028 19.4261 -34.4619 44.0955 -34.4619 44.1007 GPRESSAVG: 2676400 -84.5942 -24.8353 44.1851 -21.2186 20.2907 -35.5861 42.9481 -34.2705 43.6146 TIMING: 2676400 CPU: 7982.11, 0.00302067/step Wall: 7982.11, 0.00302067/step, 1.94967 hours remaining, 206.734375 MB of memory in use. ENERGY: 2676400 791.9300 2113.2864 1940.2950 120.6012 -206244.1335 17956.7691 0.0000 0.0000 34116.5110 -149204.7409 297.9480 -183321.2519 -149107.9047 298.6715 -88.7451 -60.2170 558093.7991 -6.7398 -6.8963 PRESSURE: 2676600 15.5323 -177.354 241.906 -177.354 318.515 -42.8142 241.906 -42.8154 225.868 GPRESSURE: 2676600 14.0229 -103.662 266.046 -196.314 360.907 -20.652 164.713 -104.686 279.984 PRESSAVG: 2676600 -73.1112 -33.1873 10.5965 -33.1872 66.5227 -78.7357 10.5965 -78.7357 29.075 GPRESSAVG: 2676600 -73.3372 -31.8106 11.5142 -33.6585 65.311 -77.6896 10.3119 -79.7315 30.7898 TIMING: 2676600 CPU: 7982.7, 0.00294092/step Wall: 7982.7, 0.00294092/step, 1.89803 hours remaining, 206.734375 MB of memory in use. ENERGY: 2676600 740.9100 2072.8102 1910.4123 121.8117 -206210.6550 17857.0305 0.0000 0.0000 34259.4695 -149248.2108 299.1965 -183507.6803 -149152.7114 299.2576 186.6384 218.3047 557070.0054 7.4955 7.5879 PRESSURE: 2676800 -17.6631 20.1616 -197.823 20.1607 -112.118 -43.3561 -197.824 -43.3555 83.7804 GPRESSURE: 2676800 -30.2615 148.451 -275.943 5.22988 -56.8901 15.7953 -149.013 -104.851 127.727 PRESSAVG: 2676800 -64.3607 -0.936466 -39.4636 -0.936476 63.5958 -55.7291 -39.4636 -55.7292 -18.585 GPRESSAVG: 2676800 -64.5019 1.19008 -38.9128 -2.38202 64.666 -55.5102 -41.092 -54.112 -19.2029 TIMING: 2676800 CPU: 7983.3, 0.00296592/step Wall: 7983.3, 0.00296592/step, 1.914 hours remaining, 206.734375 MB of memory in use. ENERGY: 2676800 752.8474 2068.3974 1927.3588 108.5844 -205905.7331 17779.1820 0.0000 0.0000 34065.0636 -149204.2996 297.4987 -183269.3632 -149102.1377 299.0254 -15.3334 13.5253 558215.8371 -6.4500 -6.3462 PRESSURE: 2677000 -224.941 -29.2719 33.8445 -29.2705 -22.561 136.691 33.8441 136.692 -128.155 GPRESSURE: 2677000 -174.507 -45.3996 68.6267 -27.7213 -13.6707 122.385 12.7739 123.233 -86.4009 PRESSAVG: 2677000 -37.1176 -18.8436 0.0203948 -18.8437 -20.3941 -9.01987 0.0203971 -9.0199 27.0526 GPRESSAVG: 2677000 -37.0296 -22.5587 -0.778465 -15.4601 -21.2765 -9.4763 0.703053 -8.95914 27.7248 TIMING: 2677000 CPU: 7983.88, 0.00293256/step Wall: 7983.88, 0.00293256/step, 1.89232 hours remaining, 206.734375 MB of memory in use. ENERGY: 2677000 774.2097 2062.5910 1940.7629 113.9004 -205867.0814 17622.5461 0.0000 0.0000 34215.3735 -149137.6979 298.8114 -183353.0714 -149042.6995 299.2500 -125.2189 -91.5261 558223.1911 -10.1530 -10.1938 PRESSURE: 2677200 159.075 -163.634 -41.5346 -163.634 -118.3 -129.165 -41.5346 -129.166 130.336 GPRESSURE: 2677200 211.402 -175.851 -194.197 -166.857 -51.7646 -184.813 -21.9019 -150.91 104.399 PRESSAVG: 2677200 -64.1902 -75.309 -30.8333 -75.3089 24.5841 27.6668 -30.8334 27.6669 38.3891 GPRESSAVG: 2677200 -62.9934 -72.1488 -30.7584 -78.0056 23.1586 27.0107 -31.2753 28.2991 38.2256 TIMING: 2677200 CPU: 7984.48, 0.00297139/step Wall: 7984.48, 0.00297139/step, 1.91721 hours remaining, 206.734375 MB of memory in use. ENERGY: 2677200 714.7992 2082.3187 1964.1564 108.3097 -206293.1372 17925.7488 0.0000 0.0000 34309.2519 -149188.5525 299.6312 -183497.8044 -149101.7235 298.8513 57.0370 88.0123 557519.0113 -0.4057 -0.5364 PRESSURE: 2677400 -200.5 -265.521 -42.3955 -265.521 84.3476 40.1105 -42.395 40.1091 66.4 GPRESSURE: 2677400 -150.101 -234.521 44.1764 -269.43 125.207 108.466 -33.8487 -28.2087 69.2493 PRESSAVG: 2677400 -84.662 -46.4316 58.0494 -46.4317 -12.1617 5.97743 58.0492 5.97748 70.47 GPRESSAVG: 2677400 -86.1551 -47.424 57.5627 -45.1468 -9.77872 4.21226 58.5417 6.85096 69.5502 TIMING: 2677400 CPU: 7985.07, 0.00298219/step Wall: 7985.07, 0.00298219/step, 1.92401 hours remaining, 206.734375 MB of memory in use. ENERGY: 2677400 742.3667 2075.1800 1928.3545 114.5694 -206074.5931 17766.7540 0.0000 0.0000 34327.4248 -149119.9437 299.7899 -183447.3685 -149020.8476 299.4160 -16.5843 14.7850 558130.9658 -8.7846 -8.7945 PRESSURE: 2677600 -174.971 68.9079 -285.232 68.9071 11.1019 79.8002 -285.231 79.8007 154.747 GPRESSURE: 2677600 -129.561 22.7649 -237.931 84.8851 23.593 88.763 -314.839 26.978 195.936 PRESSAVG: 2677600 -69.0064 -80.5254 -23.2341 -80.5254 80.9697 83.1584 -23.2341 83.1585 17.8534 GPRESSAVG: 2677600 -69.8944 -79.4557 -22.7048 -82.2588 79.9602 84.6453 -20.5987 82.5732 19.3244 TIMING: 2677600 CPU: 7985.67, 0.00296686/step Wall: 7985.67, 0.00296686/step, 1.91396 hours remaining, 206.734375 MB of memory in use. ENERGY: 2677600 716.5461 2092.7202 1951.8178 113.7487 -206063.7210 17694.4218 0.0000 0.0000 34379.9366 -149114.5298 300.2485 -183494.4664 -149014.0842 299.1640 -3.0406 29.9893 556190.3088 9.9389 9.7967 PRESSURE: 2677800 -9.17958 -13.0964 -32.3565 -13.0966 -238.396 165.433 -32.3567 165.432 -65.0322 GPRESSURE: 2677800 5.94703 31.7084 -24.7236 24.5183 -189.429 126.573 -36.5147 197.251 -39.5525 PRESSAVG: 2677800 -43.4674 25.8811 -24.8081 25.8811 62.7677 64.0777 -24.8081 64.0776 10.2363 GPRESSAVG: 2677800 -42.9019 23.054 -24.9418 29.393 63.4338 63.9612 -26.4421 66.2316 8.99051 TIMING: 2677800 CPU: 7986.26, 0.00294791/step Wall: 7986.26, 0.00294791/step, 1.90157 hours remaining, 206.734375 MB of memory in use. ENERGY: 2677800 762.7200 2038.7697 1936.9330 116.2832 -205878.0137 17625.8977 0.0000 0.0000 34244.1437 -149153.2665 299.0626 -183397.4102 -149051.8242 299.6155 -104.2024 -74.3449 557867.8395 9.8455 9.8408 PRESSURE: 2678000 151.139 -81.3578 98.8015 -81.3568 260.416 103.585 98.8022 103.585 117.472 GPRESSURE: 2678000 210.933 -82.7238 80.5606 -119.59 268.537 77.7964 85.1133 74.3891 158.18 PRESSAVG: 2678000 32.389 29.2737 3.97945 29.2737 30.9938 72.3622 3.97946 72.3622 -59.4318 GPRESSAVG: 2678000 31.8023 32.5556 3.95188 27.9565 31.4147 74.2685 4.9806 70.4077 -59.4283 TIMING: 2678000 CPU: 7986.85, 0.00296861/step Wall: 7986.85, 0.00296861/step, 1.91475 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2678000 733.1432 2053.0295 1942.0093 111.2899 -206128.1410 17896.8371 0.0000 0.0000 34151.7184 -149240.1136 298.2555 -183391.8320 -149145.9752 299.6627 176.3422 212.5503 556818.6829 1.3170 1.2629 PRESSURE: 2678200 -216.748 -85.0324 165.072 -85.0333 -241.678 15.9411 165.072 15.944 -224.022 GPRESSURE: 2678200 -176.673 -58.1533 198.252 -156.793 -194.357 -78.2901 126.825 69.4799 -224.836 PRESSAVG: 2678200 -39.6396 -19.118 11.6806 -19.1179 35.4862 38.9229 11.6804 38.923 -13.5423 GPRESSAVG: 2678200 -39.7598 -20.195 12.2021 -18.675 34.6472 39.5693 10.8062 38.581 -12.6766 TIMING: 2678200 CPU: 7987.44, 0.00295897/step Wall: 7987.44, 0.00295897/step, 1.90837 hours remaining, 206.734375 MB of memory in use. ENERGY: 2678200 768.3975 2076.7154 1953.2406 105.6962 -205872.8826 17461.1438 0.0000 0.0000 34149.5604 -149358.1287 298.2366 -183507.6891 -149264.5081 298.5312 -227.4828 -198.6219 557579.1241 -5.8986 -5.9297 PRESSURE: 2678400 -199.227 -51.0922 71.1958 -51.0934 -18.6594 -48.8135 71.1957 -48.8159 355.308 GPRESSURE: 2678400 -116.88 35.2998 137.821 -126.351 4.61471 -113.607 131.83 -82.2238 352.376 PRESSAVG: 2678400 50.0261 -8.80177 17.8874 -8.80168 -3.95911 -29.2078 17.8874 -29.2077 -31.6893 GPRESSAVG: 2678400 51.2969 -7.11778 17.993 -10.1579 -5.0032 -32.2336 17.9203 -29.3783 -31.978 TIMING: 2678400 CPU: 7988.03, 0.00294375/step Wall: 7988.03, 0.00294375/step, 1.89839 hours remaining, 206.734375 MB of memory in use. ENERGY: 2678400 753.1448 2094.9057 1952.4117 129.4137 -206375.6599 17829.5433 0.0000 0.0000 34263.4801 -149352.7606 299.2315 -183616.2407 -149261.2660 298.8578 45.8073 80.0368 557059.4545 4.7926 4.7719 PRESSURE: 2678600 -23.0306 39.6288 -61.0385 39.6296 -81.038 -93.6124 -61.0375 -93.6127 -142.366 GPRESSURE: 2678600 -50.2707 -42.0884 -97.089 144.919 -76.9815 -114.514 -99.4063 -119.999 -14.6726 PRESSAVG: 2678600 -30.3949 -52.4125 25.6433 -52.4125 42.9812 -92.2423 25.6434 -92.2424 7.52766 GPRESSAVG: 2678600 -30.6766 -54.3914 25.0392 -51.0227 43.5433 -89.7538 25.637 -92.4831 6.31689 TIMING: 2678600 CPU: 7988.62, 0.00294311/step Wall: 7988.62, 0.00294311/step, 1.89781 hours remaining, 206.734375 MB of memory in use. ENERGY: 2678600 781.6769 2130.1328 1913.4856 110.6605 -206502.5718 17787.5028 0.0000 0.0000 34149.6229 -149629.4903 298.2372 -183779.1132 -149528.9152 299.1996 -82.1448 -47.3083 556701.1421 6.7046 6.3945 PRESSURE: 2678800 39.9435 8.29933 -105.146 8.29792 -45.5174 -1.43437 -105.147 -1.43355 -307.481 GPRESSURE: 2678800 108.212 131.364 -140.533 -38.4506 14.9331 16.9685 -146.788 -23.5414 -335.187 PRESSAVG: 2678800 51.0815 -52.7771 31.2592 -52.7771 56.9609 31.5809 31.2593 31.581 -102.395 GPRESSAVG: 2678800 50.6325 -53.2633 29.424 -53.6492 56.8828 28.3152 32.1349 33.7395 -102.52 TIMING: 2678800 CPU: 7989.21, 0.00296032/step Wall: 7989.21, 0.00296032/step, 1.90875 hours remaining, 206.734375 MB of memory in use. ENERGY: 2678800 721.5202 2080.7225 1954.5765 114.6878 -206226.5065 17596.5776 0.0000 0.0000 34153.3495 -149605.0722 298.2697 -183758.4217 -149509.1761 297.9758 -104.3515 -70.6806 556135.7921 1.8824 1.6651 PRESSURE: 2679000 64.5646 46.8227 -107.842 46.8231 126.899 98.0427 -107.843 98.0431 -51.226 GPRESSURE: 2679000 103.599 -7.32986 -135.823 9.10479 156.108 43.1781 -93.021 113.157 -34.0478 PRESSAVG: 2679000 3.78085 -15.482 -32.6655 -15.4819 20.6325 -17.5504 -32.6654 -17.5505 2.57548 GPRESSAVG: 2679000 2.48204 -15.6619 -30.09 -14.8327 20.9438 -15.4954 -34.7036 -19.8824 3.40564 TIMING: 2679000 CPU: 7989.8, 0.00295702/step Wall: 7989.8, 0.00295702/step, 1.90645 hours remaining, 206.734375 MB of memory in use. ENERGY: 2679000 770.8485 2037.5022 1968.8235 118.4474 -206324.9537 17902.5025 0.0000 0.0000 34092.0581 -149434.7714 297.7344 -183526.8296 -149336.4963 298.2928 46.7457 75.2197 557133.4215 8.9963 8.9438 PRESSURE: 2679200 147.303 -69.827 -66.4827 -69.8265 -40.9073 110.869 -66.4827 110.868 -37.2091 GPRESSURE: 2679200 182.456 -28.7665 -45.0965 -105.998 8.28991 62.0029 -142.023 100.063 -14.8666 PRESSAVG: 2679200 26.2144 2.82135 -58.6584 2.82155 -56.092 62.5594 -58.6583 62.5595 49.0916 GPRESSAVG: 2679200 26.964 3.17711 -59.1171 3.27946 -56.3498 62.0401 -57.0512 63.9846 48.8833 TIMING: 2679200 CPU: 7990.39, 0.00295302/step Wall: 7990.39, 0.00295302/step, 1.90371 hours remaining, 206.734375 MB of memory in use. ENERGY: 2679200 722.1519 2020.2503 1937.0756 122.9475 -206454.4124 17932.9386 0.0000 0.0000 34185.4777 -149533.5708 298.5503 -183719.0485 -149436.1048 298.3652 23.0621 58.6266 557184.3986 6.4046 6.4992 PRESSURE: 2679400 -15.6509 -102.991 111.166 -102.991 -124.332 -152.475 111.167 -152.476 20.5982 GPRESSURE: 2679400 58.696 8.98699 138.084 -86.5541 -75.9265 -212.304 38.31 -97.3433 -15.6218 PRESSAVG: 2679400 -17.2339 15.4972 -38.5083 15.4972 24.959 17.5956 -38.5084 17.5956 -6.82661 GPRESSAVG: 2679400 -16.9537 17.3137 -40.6418 15.1394 23.966 16.8597 -39.9754 17.3468 -7.22653 TIMING: 2679400 CPU: 7990.98, 0.0029464/step Wall: 7990.98, 0.0029464/step, 1.89928 hours remaining, 206.734375 MB of memory in use. ENERGY: 2679400 755.9297 2095.6319 1922.0611 90.8592 -206781.0141 18054.1237 0.0000 0.0000 34274.4946 -149587.9140 299.3277 -183862.4086 -149494.4200 298.6858 -39.7948 -10.9508 557646.8973 0.2995 -0.0714 PRESSURE: 2679600 -246.969 -98.1549 34.3233 -98.1555 203.773 -63.3222 34.3241 -63.3227 -516.671 GPRESSURE: 2679600 -241.518 -33.3098 33.2801 -143.904 240.139 -70.0395 54.1586 -58.6662 -461.527 PRESSAVG: 2679600 -10.6972 51.7517 22.8234 51.7516 -4.3468 -3.20849 22.8234 -3.20848 7.49663 GPRESSAVG: 2679600 -11.2981 51.8086 27.2306 50.9185 -4.14811 -3.98312 22.6495 -2.65497 8.54086 TIMING: 2679600 CPU: 7991.57, 0.00295865/step Wall: 7991.57, 0.00295865/step, 1.90701 hours remaining, 206.734375 MB of memory in use. ENERGY: 2679600 754.9509 2097.1155 1943.5440 119.1958 -206055.8912 17519.0542 0.0000 0.0000 34332.7054 -149289.3255 299.8361 -183622.0308 -149189.8978 298.7372 -186.6221 -154.3023 557632.2487 -2.5158 -2.3018 PRESSURE: 2679800 -271.743 -172.398 -5.88188 -172.398 -189.935 14.5258 -5.88151 14.5233 -36.515 GPRESSURE: 2679800 -222.151 -138.806 82.8628 -125.979 -211.605 -57.5954 -39.6037 -31.5213 23.2239 PRESSAVG: 2679800 13.6748 37.8338 -14.7713 37.8339 48.4636 -33.0213 -14.7714 -33.0214 -53.1656 GPRESSAVG: 2679800 13.2397 38.3307 -17.4669 35.7475 48.3815 -28.2835 -14.539 -34.7366 -53.5327 TIMING: 2679800 CPU: 7992.16, 0.00295637/step Wall: 7992.16, 0.00295637/step, 1.90538 hours remaining, 206.734375 MB of memory in use. ENERGY: 2679800 733.5649 1976.0600 1940.9963 110.7285 -205921.1537 17453.3824 0.0000 0.0000 34397.4342 -149308.9875 300.4013 -183706.4217 -149209.9794 298.9218 -166.0642 -136.8441 556806.1783 2.9910 2.6962 PRESSURE: 2680000 -25.3711 7.10912 104.18 7.10909 -72.33 -25.456 104.179 -25.4547 167.446 GPRESSURE: 2680000 13.374 -9.64924 48.8838 88.9304 -48.8751 -49.1343 158.808 -32.7116 197.808 PRESSAVG: 2680000 -15.3024 -11.4635 -1.2708 -11.4635 -5.21019 1.94622 -1.27092 1.94621 53.0498 GPRESSAVG: 2680000 -14.8638 -13.0179 -1.97793 -9.69601 -4.62449 -0.822815 -0.0980441 4.00905 52.5674 TIMING: 2680000 CPU: 7992.75, 0.00295016/step Wall: 7992.75, 0.00295016/step, 1.90122 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2680000 748.6176 2074.9280 1920.8663 107.4934 -206344.4398 17891.0582 0.0000 0.0000 34346.6522 -149254.8241 299.9579 -183601.4763 -149155.6656 299.0804 23.2481 54.1024 557807.1036 10.8457 11.0264 PRESSURE: 2680200 -215.907 -15.2012 -75.7395 -15.2019 24.4611 -17.5466 -75.7388 -17.5476 -97.8338 GPRESSURE: 2680200 -216.09 -10.9828 -77.0038 -82.0626 77.7414 -18.5728 -105.904 73.9897 -47.1321 PRESSAVG: 2680200 -23.0938 18.4402 12.9403 18.4402 53.2241 0.563414 12.9402 0.563362 24.6556 GPRESSAVG: 2680200 -22.1181 18.1895 15.0828 19.8185 52.6521 1.43066 11.5868 0.194355 24.8687 TIMING: 2680200 CPU: 7993.35, 0.00296934/step Wall: 7993.35, 0.00296934/step, 1.91341 hours remaining, 206.734375 MB of memory in use. ENERGY: 2680200 728.7996 2063.5692 1948.8743 127.9322 -206310.5027 17757.6093 0.0000 0.0000 34222.4600 -149461.2582 298.8733 -183683.7181 -149354.1764 299.2454 -96.4264 -61.8268 556758.8995 18.2619 18.4676 LDB: ============= START OF LOAD BALANCING ============== 7996.9 LDB: ============== END OF LOAD BALANCING =============== 7996.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7996.9 LDB: ============= START OF LOAD BALANCING ============== 7997.2 LDB: Largest compute 4773 load 0.028379 is 24.0% of average load 0.118295 LDB: Average compute 0.001735 is 1.5% of average load 0.118295 LDB: TIME 7997.2 LOAD: AVG 0.118295 MAX 0.20416 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.18 MB LDB: TIME 7997.2 LOAD: AVG 0.118295 MAX 0.20416 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.184 MB LDB: TIME 7997.2 LOAD: AVG 0.118295 MAX 0.20416 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.184 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7997.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7997.21 PRESSURE: 2680400 135.561 -42.7544 77.2947 -42.7545 -223.267 150.209 77.2959 150.208 94.9197 GPRESSURE: 2680400 110.926 -82.4774 8.64699 5.57222 -124.426 198.021 72.7346 104.985 106.814 PRESSAVG: 2680400 120.299 0.27156 -56.5838 0.271671 -41.0295 -8.35742 -56.5837 -8.35736 -56.9602 GPRESSAVG: 2680400 119.068 0.910096 -59.7785 -1.00941 -40.0171 -9.69001 -54.9557 -7.24639 -57.4172 TIMING: 2680400 CPU: 7993.96, 0.00303521/step Wall: 7993.96, 0.00303521/step, 1.95569 hours remaining, 207.949219 MB of memory in use. ENERGY: 2680400 754.2649 2079.2741 1937.1853 105.0163 -206165.6669 17798.6279 0.0000 0.0000 34074.9392 -149416.3591 297.5849 -183491.2983 -149324.2426 298.7850 2.4045 31.1048 557179.5133 7.4363 7.2114 PRESSURE: 2680600 330.468 64.0251 153.332 64.0248 -86.4604 -21.0821 153.334 -21.0809 -65.1094 GPRESSURE: 2680600 377.308 10.0204 150.525 71.4007 -59.9595 -3.49124 201.278 -31.2985 -46.1902 PRESSAVG: 2680600 83.4912 46.0569 11.1461 46.0569 2.28398 -1.9545 11.1461 -1.95434 -39.1983 GPRESSAVG: 2680600 83.2085 45.7725 14.6422 47.8358 1.7667 -0.37654 8.40044 -1.73266 -38.2525 TIMING: 2680600 CPU: 7994.55, 0.00295802/step Wall: 7994.55, 0.00295802/step, 1.90579 hours remaining, 207.949219 MB of memory in use. ENERGY: 2680600 776.6836 2088.2993 1955.4411 109.3808 -206476.7655 17849.3391 0.0000 0.0000 34184.6203 -149513.0014 298.5428 -183697.6217 -149417.7788 298.9799 59.6326 90.3860 556247.2940 15.5256 15.5743 PRESSURE: 2680800 -135.516 16.2242 -80.1047 16.224 -8.28494 4.55745 -80.104 4.55674 -9.20095 GPRESSURE: 2680800 -64.4578 -40.082 -74.015 50.8383 50.9303 -43.0239 -118.083 0.760223 -42.8306 PRESSAVG: 2680800 65.5405 23.2478 -2.51879 23.2478 -108.827 -12.4086 -2.51872 -12.4084 35.43 GPRESSAVG: 2680800 66.0424 21.9243 -3.73826 21.5543 -108.735 -12.7953 -0.860166 -13.8758 34.0507 TIMING: 2680800 CPU: 7995.15, 0.00299411/step Wall: 7995.15, 0.00299411/step, 1.92887 hours remaining, 207.949219 MB of memory in use. ENERGY: 2680800 791.6823 2089.1218 1929.9275 110.9077 -206526.1646 17831.4053 0.0000 0.0000 34440.4764 -149332.6436 300.7772 -183773.1200 -149236.3023 298.8336 -51.0006 -18.7860 557348.4234 -2.6188 -2.8808 PRESSURE: 2681000 -393.936 47.4033 -45.922 47.4009 -24.4014 -115.377 -45.922 -115.379 -11.0496 GPRESSURE: 2681000 -371.157 42.9294 -49.7167 17.9107 36.9528 -20.8945 -125.744 -125.851 10.5772 PRESSAVG: 2681000 11.8575 -28.2691 -48.1087 -28.2691 -0.808276 -38.913 -48.1087 -38.9131 56.7495 GPRESSAVG: 2681000 12.4768 -27.297 -47.109 -28.7547 -1.18753 -38.6731 -48.7921 -39.678 56.6624 TIMING: 2681000 CPU: 7995.74, 0.00297506/step Wall: 7995.74, 0.00297506/step, 1.91643 hours remaining, 207.949219 MB of memory in use. ENERGY: 2681000 778.9878 2084.2007 1936.7781 109.1950 -206196.3112 17678.5364 0.0000 0.0000 34321.8451 -149286.7679 299.7412 -183608.6131 -149186.0030 299.3513 -143.1291 -107.8757 557877.8321 22.5996 22.6506 PRESSURE: 2681200 -203.886 -46.7155 -61.4107 -46.7157 -232.459 -9.3249 -61.4099 -9.3252 -390.868 GPRESSURE: 2681200 -175.632 12.7315 0.219268 -44.2259 -193.692 -43.0817 -191.513 33.9669 -354.397 PRESSAVG: 2681200 37.1773 -23.6109 -35.0977 -23.6108 -55.7519 60.5842 -35.0977 60.5842 14.0141 GPRESSAVG: 2681200 36.5002 -24.4819 -36.1442 -22.4011 -56.1387 59.7136 -35.1906 60.3938 14.8091 TIMING: 2681200 CPU: 7996.33, 0.00293941/step Wall: 7996.33, 0.00293941/step, 1.8933 hours remaining, 207.949219 MB of memory in use. ENERGY: 2681200 771.9362 2065.6608 1947.4129 114.9325 -205893.8704 17418.6552 0.0000 0.0000 34279.1846 -149296.0882 299.3686 -183575.2728 -149197.6259 298.6581 -275.7377 -241.2403 558508.2785 -1.5202 -1.6098 PRESSURE: 2681400 -91.641 -104.754 -92.3483 -104.754 16.6472 -16.7019 -92.3488 -16.702 133.023 GPRESSURE: 2681400 -48.082 -154.864 -109.265 -79.5431 2.67239 -26.9576 11.8925 -1.80889 194.382 PRESSAVG: 2681400 7.85128 2.58988 -43.5778 2.58992 -32.5377 0.0292892 -43.5778 0.0293195 51.8708 GPRESSAVG: 2681400 7.27257 2.41658 -46.0023 4.5118 -31.7182 1.61587 -42.1218 0.2224 51.32 TIMING: 2681400 CPU: 7996.92, 0.00293934/step Wall: 7996.92, 0.00293934/step, 1.8931 hours remaining, 207.949219 MB of memory in use. ENERGY: 2681400 731.6615 2141.7857 1918.7958 123.9918 -206453.8998 17758.8030 0.0000 0.0000 34541.5707 -149237.2912 301.6601 -183778.8619 -149141.4039 299.5155 19.3429 49.6575 557273.6321 9.0615 8.9581 PRESSURE: 2681600 -81.6622 65.6559 106.906 65.6562 203.178 27.5614 106.904 27.5597 334.165 GPRESSURE: 2681600 -72.5936 107.027 87.9141 101.766 267.798 41.4674 101.963 -8.73745 352.926 PRESSAVG: 2681600 -37.5961 -9.41137 -7.8486 -9.41146 67.6237 -66.0639 -7.84862 -66.0639 10.7554 GPRESSAVG: 2681600 -36.9516 -8.12144 -7.2039 -9.7312 67.2337 -66.7502 -7.79341 -67.1999 10.3633 TIMING: 2681600 CPU: 7997.51, 0.00295167/step Wall: 7997.51, 0.00295167/step, 1.90088 hours remaining, 207.949219 MB of memory in use. ENERGY: 2681600 715.0581 2050.0252 1941.3485 112.3592 -206518.6172 18132.8037 0.0000 0.0000 34181.5110 -149385.5115 298.5156 -183567.0226 -149288.7216 299.2013 151.8935 182.7100 556792.8083 13.5943 13.5485 PRESSURE: 2681800 2.47062 -49.2514 9.57465 -49.2527 130.733 64.9665 9.57477 64.9668 83.4913 GPRESSURE: 2681800 79.8777 -27.7222 23.1769 6.43029 122.826 61.2983 -18.5927 119.517 109.669 PRESSAVG: 2681800 -49.5253 27.7045 -16.7775 27.7046 46.8119 5.05948 -16.7774 5.05939 -3.66038 GPRESSAVG: 2681800 -50.4385 25.6311 -15.5681 26.0757 47.7411 5.29809 -17.7058 6.41061 -3.699 TIMING: 2681800 CPU: 7998.09, 0.00293267/step Wall: 7998.09, 0.00293267/step, 1.88847 hours remaining, 207.949219 MB of memory in use. ENERGY: 2681800 751.2638 2162.9046 1919.7859 116.9508 -206483.4156 17908.7048 0.0000 0.0000 34450.2759 -149173.5297 300.8628 -183623.8056 -149080.7779 299.7829 72.2316 104.1241 558296.6046 -2.1246 -2.1321 PRESSURE: 2682000 -44.6041 26.6738 -18.066 26.6748 -39.7516 -2.54985 -18.0647 -2.5487 -175.078 GPRESSURE: 2682000 -35.4579 57.6874 19.8225 10.9013 -3.78506 -72.3943 -31.7499 18.6404 -127.237 PRESSAVG: 2682000 26.1054 -33.66 27.0535 -33.6601 58.8865 10.7877 27.0534 10.7877 -58.0513 GPRESSAVG: 2682000 26.9505 -32.7052 26.9136 -32.646 58.4206 9.8049 25.4413 11.2558 -58.2327 TIMING: 2682000 CPU: 7998.68, 0.00292018/step Wall: 7998.68, 0.00292018/step, 1.88027 hours remaining, 207.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2682000 739.9688 2124.9021 1935.2360 120.2844 -206134.3990 17627.5711 0.0000 0.0000 34386.1103 -149200.3263 300.3025 -183586.4366 -149101.2735 299.6135 -86.4780 -55.4933 558236.1314 8.9802 9.0461 PRESSURE: 2682200 -31.3462 -259.012 36.5571 -259.012 24.7024 -3.0959 36.5581 -3.09625 13.9316 GPRESSURE: 2682200 -54.95 -279.277 -30.5561 -235.5 95.2803 -49.2202 105.6 50.2434 67.5187 PRESSAVG: 2682200 2.38557 -4.68709 -41.8291 -4.68723 -2.58263 -42.1478 -41.8291 -42.1477 -20.7529 GPRESSAVG: 2682200 2.51299 -4.82405 -42.1211 -4.92197 -3.68725 -43.0689 -39.7797 -41.7744 -20.1617 TIMING: 2682200 CPU: 7999.26, 0.00293072/step Wall: 7999.26, 0.00293072/step, 1.88689 hours remaining, 207.949219 MB of memory in use. ENERGY: 2682200 755.3541 2060.3186 1952.8273 115.3493 -206081.1868 17797.2274 0.0000 0.0000 34204.9248 -149195.1853 298.7201 -183400.1102 -149099.1074 300.1739 2.4293 35.9496 557046.6640 -6.9833 -7.1120 PRESSURE: 2682400 227.891 19.7455 2.88974 19.7456 39.2284 61.7526 2.88913 61.7527 171.182 GPRESSURE: 2682400 242.282 32.4031 23.5245 -42.6472 40.8728 90.0175 -95.351 14.0555 251.206 PRESSAVG: 2682400 -50.9638 -30.5504 56.1178 -30.5504 -10.1756 0.0309993 56.1178 0.0311006 50.1799 GPRESSAVG: 2682400 -52.1778 -28.5275 55.3463 -29.9151 -10.0852 0.61642 56.8679 0.393038 50.9241 TIMING: 2682400 CPU: 7999.85, 0.00293721/step Wall: 7999.85, 0.00293721/step, 1.89091 hours remaining, 207.949219 MB of memory in use. ENERGY: 2682400 712.6343 2101.2083 1931.9674 112.6092 -206348.6012 17900.1941 0.0000 0.0000 34136.7810 -149453.2070 298.1250 -183589.9880 -149360.0603 299.4861 146.1004 178.1200 555675.6689 -3.6532 -3.7796 PRESSURE: 2682600 -95.185 -50.4844 -105.763 -50.4842 -64.0124 -81.0128 -105.762 -81.0139 -64.7355 GPRESSURE: 2682600 -79.2369 2.56472 -106.032 -39.6461 -2.04933 -18.6236 -77.0082 -204.146 -44.7301 PRESSAVG: 2682600 -26.2784 6.58441 -40.1061 6.58449 45.3891 15.423 -40.106 15.4229 -30.839 GPRESSAVG: 2682600 -25.221 6.94945 -40.2079 5.56672 45.2726 16.4662 -41.2652 14.9726 -32.2753 TIMING: 2682600 CPU: 8000.45, 0.00296869/step Wall: 8000.45, 0.00296869/step, 1.91101 hours remaining, 207.949219 MB of memory in use. ENERGY: 2682600 746.6374 2123.3325 1958.9059 104.4681 -206446.5995 17780.3430 0.0000 0.0000 34106.4110 -149626.5017 297.8598 -183732.9126 -149529.6395 298.6091 -74.6443 -42.0054 558058.2188 -3.9094 -4.0746 PRESSURE: 2682800 -209.183 27.7485 -28.2206 27.7472 -214.356 -65.8885 -28.2198 -65.8879 -353.673 GPRESSURE: 2682800 -192.688 -12.6373 -43.0135 72.5328 -117.845 37.127 15.4063 -137.808 -360.829 PRESSAVG: 2682800 -8.87515 11.8507 -18.4109 11.8507 6.80349 -29.631 -18.4109 -29.631 12.4096 GPRESSAVG: 2682800 -10.386 11.3267 -19.2888 11.7361 7.37283 -28.8381 -18.5079 -30.9446 13.2675 TIMING: 2682800 CPU: 8001.03, 0.00294905/step Wall: 8001.03, 0.00294905/step, 1.8982 hours remaining, 207.949219 MB of memory in use. ENERGY: 2682800 758.3180 2074.5882 1941.4331 99.9476 -206228.1358 17672.4902 0.0000 0.0000 34045.9380 -149635.4207 297.3316 -183681.3587 -149537.0739 298.5501 -259.0706 -223.7873 557929.3619 3.4460 3.4181 PRESSURE: 2683000 7.22951 183.344 -3.32321 183.344 -236.35 117.809 -3.32301 117.809 85.1824 GPRESSURE: 2683000 47.4783 190.927 40.6941 150.736 -188.617 71.4906 60.5808 197.749 86.4011 PRESSAVG: 2683000 7.09161 -40.8199 -4.03409 -40.8198 -15.7585 -29.1334 -4.03411 -29.1334 14.7594 GPRESSAVG: 2683000 7.13688 -40.3084 -1.27402 -41.772 -15.5241 -29.7258 -4.05639 -28.3786 14.3525 TIMING: 2683000 CPU: 8001.63, 0.00299718/step Wall: 8001.63, 0.00299718/step, 1.92902 hours remaining, 207.949219 MB of memory in use. ENERGY: 2683000 730.9905 2143.1351 1943.5119 117.1610 -206435.0851 17701.1292 0.0000 0.0000 34173.5512 -149625.6062 298.4461 -183799.1574 -149530.9007 297.8746 -47.9794 -18.2459 556599.8158 2.0308 1.9884 PRESSURE: 2683200 -74.8523 -132.261 -170.924 -132.261 -142.518 21.1577 -170.922 21.1582 57.4864 GPRESSURE: 2683200 -51.31 -152.562 -124.204 -95.2148 -103.897 -9.28766 -148.007 13.7657 96.3415 PRESSAVG: 2683200 -33.5554 -2.57423 62.1894 -2.57418 5.19993 -15.1874 62.1894 -15.1874 43.8008 GPRESSAVG: 2683200 -33.5894 -3.77643 62.0499 -1.43628 4.97299 -15.0811 61.9773 -16.6571 43.9879 TIMING: 2683200 CPU: 8002.23, 0.00298484/step Wall: 8002.23, 0.00298484/step, 1.92091 hours remaining, 207.949219 MB of memory in use. ENERGY: 2683200 741.2463 2139.2897 1913.7234 117.9805 -206548.9029 17816.3932 0.0000 0.0000 34247.9915 -149572.2783 299.0962 -183820.2698 -149477.9445 298.4815 -53.2947 -19.6220 557328.0580 5.1484 5.1238 PRESSURE: 2683400 144.793 78.199 -90.6686 78.1999 -189.823 -181.373 -90.6693 -181.372 -116.568 GPRESSURE: 2683400 160.932 78.448 -63.8953 35.1093 -127.315 -85.1539 -191.446 -183.826 -98.1197 PRESSAVG: 2683400 21.7753 -22.4757 -5.25838 -22.4757 -33.5169 4.4616 -5.25837 4.46149 -48.2326 GPRESSAVG: 2683400 21.9026 -22.9757 -4.70654 -21.5677 -32.4394 3.11422 -6.11478 6.9801 -49.7107 TIMING: 2683400 CPU: 8002.82, 0.00293545/step Wall: 8002.82, 0.00293545/step, 1.88896 hours remaining, 207.949219 MB of memory in use. ENERGY: 2683400 746.1884 2057.3640 1932.9967 104.6147 -206050.6357 17592.3546 0.0000 0.0000 34157.1707 -149459.9466 298.3031 -183617.1173 -149360.3506 298.3758 -53.8660 -21.5007 557195.6455 -19.9914 -20.0825 PRESSURE: 2683600 23.1829 156.137 57.1856 156.137 -155.365 -113.666 57.1867 -113.667 27.3385 GPRESSURE: 2683600 51.9446 116.687 169.652 87.1616 -79.7681 -66.7401 63.9301 -83.4547 19.1398 PRESSAVG: 2683600 -4.19113 30.5252 -40.2927 30.5253 82.0737 6.17512 -40.2928 6.17523 -55.9633 GPRESSAVG: 2683600 -3.85359 31.1086 -41.6992 30.788 80.9688 5.2401 -38.6161 6.84247 -55.1717 TIMING: 2683600 CPU: 8003.41, 0.00293604/step Wall: 8003.41, 0.00293604/step, 1.88918 hours remaining, 207.949219 MB of memory in use. ENERGY: 2683600 749.1955 2107.3861 1935.1945 128.1376 -206402.9727 17663.8862 0.0000 0.0000 34331.1348 -149488.0380 299.8223 -183819.1728 -149395.5148 298.8375 -34.9480 -2.8946 555673.8870 7.3064 7.3145 PRESSURE: 2683800 -142.175 88.9081 86.9893 88.9075 -185.436 116.86 86.988 116.861 -236.006 GPRESSURE: 2683800 -112.077 82.0631 34.1102 188.928 -180.728 104.474 67.5835 143.061 -162.077 PRESSAVG: 2683800 51.9449 68.7385 0.57722 68.7385 16.8292 -61.5386 0.577218 -61.5387 -73.0016 GPRESSAVG: 2683800 52.6253 68.4615 1.20554 67.8622 16.3142 -62.205 0.497187 -62.486 -72.9644 TIMING: 2683800 CPU: 8004, 0.00295819/step Wall: 8004, 0.00295819/step, 1.90326 hours remaining, 207.949219 MB of memory in use. ENERGY: 2683800 750.4480 2106.5226 1929.4023 135.9954 -206558.1960 17801.2649 0.0000 0.0000 34414.1157 -149420.4470 300.5470 -183834.5627 -149332.3288 298.8117 -187.8724 -151.6274 557542.0381 -1.4092 -1.3417 PRESSURE: 2684000 -168.283 8.6359 126.463 8.63594 -295.499 66.5463 126.461 66.5439 -157.035 GPRESSURE: 2684000 -180.391 6.56454 125.925 -70.2811 -261.366 15.5272 7.97458 72.187 -88.2941 PRESSAVG: 2684000 41.9595 50.0454 -10.677 50.0455 -9.76563 -21.4456 -10.6771 -21.4457 -18.6386 GPRESSAVG: 2684000 40.4922 49.6918 -10.9721 51.6672 -8.81334 -18.778 -11.2984 -22.9876 -18.24 TIMING: 2684000 CPU: 8004.59, 0.00294491/step Wall: 8004.59, 0.00294491/step, 1.89456 hours remaining, 207.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2684000 761.6172 2128.7443 1936.6451 127.5870 -206010.5203 17324.0943 0.0000 0.0000 34252.3331 -149479.4993 299.1341 -183731.8324 -149386.1956 299.2362 -206.9388 -176.6837 555769.9359 4.5184 4.4796 PRESSURE: 2684200 328.654 143.989 5.85371 143.989 -206.825 26.4302 5.85487 26.4305 370.815 GPRESSURE: 2684200 364.43 85.7662 -19.9176 131.387 -144.769 -49.2186 27.8982 -28.6241 365.114 PRESSAVG: 2684200 -6.87001 37.0434 11.5722 37.0433 2.8416 65.8119 11.5722 65.8119 -40.8483 GPRESSAVG: 2684200 -5.60989 37.5754 13.4551 37.271 1.94732 63.4487 10.6598 65.693 -40.9935 TIMING: 2684200 CPU: 8005.17, 0.00292696/step Wall: 8005.17, 0.00292696/step, 1.88285 hours remaining, 207.949219 MB of memory in use. ENERGY: 2684200 748.8108 2126.5538 1949.8748 110.9623 -206979.9120 18197.4860 0.0000 0.0000 34140.5416 -149705.6828 298.1578 -183846.2244 -149609.0438 298.7860 164.2148 194.9249 556190.3143 -14.9589 -14.8854 LDB: ============= START OF LOAD BALANCING ============== 8008.71 LDB: ============== END OF LOAD BALANCING =============== 8008.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8008.71 LDB: ============= START OF LOAD BALANCING ============== 8009.01 LDB: Largest compute 4773 load 0.028495 is 24.1% of average load 0.118219 LDB: Average compute 0.001747 is 1.5% of average load 0.118219 LDB: TIME 8009.01 LOAD: AVG 0.118219 MAX 0.204394 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.023 MB LDB: TIME 8009.01 LOAD: AVG 0.118219 MAX 0.204394 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.023 MB LDB: TIME 8009.01 LOAD: AVG 0.118219 MAX 0.204394 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.023 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8009.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8009.02 PRESSURE: 2684400 41.984 278.885 23.7906 278.887 107.665 -32.4346 23.7904 -32.4351 -355.223 GPRESSURE: 2684400 55.7446 225.676 60.5326 215.458 122.705 71.2963 -71.9932 -21.2271 -282.369 PRESSAVG: 2684400 75.6064 -24.1096 19.9951 -24.1097 -42.4352 23.0532 19.9952 23.0533 -12.7604 GPRESSAVG: 2684400 74.7577 -24.979 15.9673 -24.8316 -40.992 24.3063 22.4372 26.0845 -13.0702 TIMING: 2684400 CPU: 8005.77, 0.00297794/step Wall: 8005.77, 0.00297794/step, 1.91548 hours remaining, 206.535156 MB of memory in use. ENERGY: 2684400 722.3855 2156.5734 1912.5687 122.0929 -206375.7294 17636.7648 0.0000 0.0000 34227.9932 -149597.3509 298.9216 -183825.3441 -149503.5635 298.8192 -68.5246 -34.6400 556645.7758 6.8036 6.8985 PRESSURE: 2684600 124.621 84.418 88.6021 84.4176 -152.403 38.402 88.6019 38.4023 -179.903 GPRESSURE: 2684600 71.8997 36.8763 33.9115 14.1558 -88.459 82.8585 86.4813 14.9164 -102.273 PRESSAVG: 2684600 19.0111 20.2625 -16.5941 20.2626 -13.7828 70.5755 -16.5942 70.5756 -17.9976 GPRESSAVG: 2684600 17.9729 21.3521 -14.629 21.3998 -14.426 69.6223 -16.8906 69.3821 -17.1412 TIMING: 2684600 CPU: 8006.36, 0.00294265/step Wall: 8006.36, 0.00294265/step, 1.89262 hours remaining, 206.535156 MB of memory in use. ENERGY: 2684600 736.0285 2167.6356 1913.9746 97.8753 -206136.5721 17668.5131 0.0000 0.0000 34081.1872 -149471.3579 297.6395 -183552.5451 -149383.3625 298.5619 -69.2284 -39.6106 557247.5307 -4.2564 -4.5314 PRESSURE: 2684800 -121.207 -43.5238 -126.043 -43.5234 -252.698 -135.783 -126.042 -135.784 22.0813 GPRESSURE: 2684800 -49.8569 -36.5599 -136.531 -88.2472 -243.632 -136.422 -99.8006 -168.519 38.5181 PRESSAVG: 2684800 -4.20877 17.2088 14.3556 17.2089 5.34693 1.7943 14.3556 1.79433 -3.65847 GPRESSAVG: 2684800 -3.05799 15.6655 13.1303 16.1562 5.42705 2.90236 13.1735 0.0296976 -4.63421 TIMING: 2684800 CPU: 8006.94, 0.00293767/step Wall: 8006.94, 0.00293767/step, 1.88925 hours remaining, 206.535156 MB of memory in use. ENERGY: 2684800 724.0781 2112.4696 1949.0961 122.2279 -206198.1490 17615.2875 0.0000 0.0000 34046.5012 -149628.4887 297.3366 -183674.9899 -149529.9482 297.7373 -117.2747 -84.9902 556835.1492 -0.8401 -0.7551 PRESSURE: 2685000 84.5582 80.1181 -117.918 80.1163 98.0097 -51.4518 -117.917 -51.4519 35.2521 GPRESSURE: 2685000 155.196 83.8253 -119.75 -3.8938 111.972 -76.8626 -168.956 -34.3881 61.4001 PRESSAVG: 2685000 -82.9763 58.2497 15.2428 58.2497 14.0036 19.4013 15.2429 19.4012 75.4186 GPRESSAVG: 2685000 -83.1053 58.2408 16.5115 59.7236 13.1626 16.0737 15.6118 20.4859 76.5264 TIMING: 2685000 CPU: 8007.53, 0.00293381/step Wall: 8007.53, 0.00293381/step, 1.8866 hours remaining, 206.535156 MB of memory in use. ENERGY: 2685000 745.3148 2103.5973 1950.6582 117.1479 -206483.7004 17974.5433 0.0000 0.0000 34046.0492 -149546.3898 297.3326 -183592.4390 -149458.3270 298.6218 72.6066 109.5228 555987.2921 2.1486 2.1945 PRESSURE: 2685200 -415.682 -10.7539 80.8661 -10.7545 32.3512 94.6846 80.8679 94.6843 -131.519 GPRESSURE: 2685200 -357.074 34.9598 55.7787 -47.3542 44.329 105.552 47.7475 17.4704 -105.755 PRESSAVG: 2685200 4.56834 36.0519 -4.6861 36.0519 -12.8288 -26.769 -4.68613 -26.769 55.047 GPRESSAVG: 2685200 5.12685 38.1787 -5.64668 34.5491 -12.4526 -27.3771 -4.72764 -26.6988 53.713 TIMING: 2685200 CPU: 8008.12, 0.00293697/step Wall: 8008.12, 0.00293698/step, 1.88847 hours remaining, 206.535156 MB of memory in use. ENERGY: 2685200 801.0081 2083.7284 1946.9235 123.1998 -206607.0339 17762.2970 0.0000 0.0000 34367.7509 -149522.1262 300.1421 -183889.8771 -149421.7930 298.1451 -171.6165 -139.5002 556578.1225 15.5955 15.4624 PRESSURE: 2685400 -86.4001 -92.4863 34.623 -92.4859 -80.7049 11.8471 34.6226 11.8462 -107.444 GPRESSURE: 2685400 -95.2746 -99.7844 96.8538 -52.4542 -12.4325 99.0096 42.3739 -36.3573 -48.1226 PRESSAVG: 2685400 -6.93527 -25.1128 35.3993 -25.1127 4.30233 6.83103 35.3994 6.8309 -5.83956 GPRESSAVG: 2685400 -8.44278 -25.4766 36.7768 -26.1828 4.45022 7.53126 36.2899 9.27151 -4.39534 TIMING: 2685400 CPU: 8008.71, 0.00294166/step Wall: 8008.71, 0.00294166/step, 1.89132 hours remaining, 206.535156 MB of memory in use. ENERGY: 2685400 748.6434 2079.9919 1926.7596 123.4239 -206293.5766 17774.7496 0.0000 0.0000 34166.6493 -149473.3590 298.3858 -183640.0082 -149383.0510 298.6469 -91.5162 -51.9433 557337.6838 -2.8242 -2.7960 PRESSURE: 2685600 -226.679 -125.577 -3.26465 -125.579 19.7924 34.9177 -3.26446 34.918 -181.854 GPRESSURE: 2685600 -215.218 -87.3709 -108.326 -73.2397 6.42945 28.1439 -16.4413 38.9339 -70.5847 PRESSAVG: 2685600 -17.6397 -10.7658 23.2117 -10.7658 22.8394 1.30426 23.2118 1.30423 -22.0995 GPRESSAVG: 2685600 -16.6765 -11.6839 23.334 -10.8316 22.0238 3.4551 22.3551 -1.75322 -22.5276 TIMING: 2685600 CPU: 8009.29, 0.00291967/step Wall: 8009.29, 0.00291967/step, 1.87703 hours remaining, 206.535156 MB of memory in use. ENERGY: 2685600 756.4177 2071.0782 1934.0168 115.5445 -205993.0189 17527.7438 0.0000 0.0000 34052.9571 -149535.2607 297.3929 -183588.2178 -149439.2427 298.2385 -129.5800 -93.1246 557848.2562 -5.6333 -5.7268 PRESSURE: 2685800 86.0014 -150.073 -105.218 -150.073 -167.036 -20.5829 -105.218 -20.5826 -96.8759 GPRESSURE: 2685800 66.0306 -133.446 -109.636 -21.427 -117.312 -40.0482 -110.983 -18.5362 -31.3148 PRESSAVG: 2685800 -51.1717 39.8681 -41.1845 39.8681 1.58279 -29.2331 -41.1845 -29.2332 34.1346 GPRESSAVG: 2685800 -51.5166 39.0082 -43.0339 41.9857 1.53435 -31.8267 -39.6553 -26.6709 33.966 TIMING: 2685800 CPU: 8009.88, 0.00294344/step Wall: 8009.88, 0.00294344/step, 1.89214 hours remaining, 206.535156 MB of memory in use. ENERGY: 2685800 765.4147 2093.8373 1910.6181 105.5418 -206101.5617 17746.5495 0.0000 0.0000 34116.6464 -149362.9539 297.9492 -183479.6003 -149273.2709 298.9054 -59.3035 -27.5320 557250.6987 -5.1514 -5.3387 PRESSURE: 2686000 -95.0437 123.752 -91.4309 123.754 -13.2269 3.95916 -91.4303 3.95964 -227.151 GPRESSURE: 2686000 -61.2606 89.6487 -74.3883 120.137 -16.3697 -28.5794 8.01677 44.1895 -139.121 PRESSAVG: 2686000 10.7385 31.2777 15.909 31.2777 -21.1049 23.42 15.9089 23.4201 -11.9019 GPRESSAVG: 2686000 12.2519 31.7572 14.8689 31.2661 -22.1902 26.533 17.904 22.011 -11.9205 TIMING: 2686000 CPU: 8010.47, 0.00295158/step Wall: 8010.47, 0.00295158/step, 1.89721 hours remaining, 206.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2686000 769.6702 2050.3246 1936.9154 106.1598 -206067.1300 17555.9337 0.0000 0.0000 34353.7852 -149294.3411 300.0202 -183648.1263 -149197.7009 299.6332 -111.8072 -72.2505 556211.8693 -7.4227 -7.2863 PRESSURE: 2686200 43.4165 25.8137 119.921 25.8137 55.0949 -128.765 119.921 -128.765 -151.862 GPRESSURE: 2686200 142.007 71.5749 98.7384 -21.088 30.2901 -198.677 30.257 -87.0945 -132.497 PRESSAVG: 2686200 20.9356 7.6436 -22.3443 7.64357 7.54291 -10.499 -22.3442 -10.4991 -31.5943 GPRESSAVG: 2686200 20.0344 7.30539 -19.9735 6.90638 9.62068 -12.5942 -27.8464 -9.89572 -32.9007 TIMING: 2686200 CPU: 8011.07, 0.00298958/step Wall: 8011.07, 0.00298958/step, 1.92147 hours remaining, 206.535156 MB of memory in use. ENERGY: 2686200 744.8876 2031.3834 1947.2309 119.7602 -205643.9018 17540.8358 0.0000 0.0000 33989.9652 -149269.8386 296.8428 -183259.8037 -149172.8657 298.6444 -17.7837 13.2667 556886.3154 -1.0386 -1.0819 PRESSURE: 2686400 167.135 -20.9249 -141.864 -20.9256 -82.4394 -31.5433 -141.865 -31.5446 108.505 GPRESSURE: 2686400 186.755 -17.4266 -129.632 2.33623 -46.9101 12.1438 -164.335 -81.2241 165.776 PRESSAVG: 2686400 13.1558 -41.7588 -85.8518 -41.7588 10.872 -13.3978 -85.8518 -13.3977 23.7568 GPRESSAVG: 2686400 12.2082 -40.0969 -85.9768 -45.148 10.293 -12.0652 -83.6255 -12.4841 25.0425 TIMING: 2686400 CPU: 8011.66, 0.00298877/step Wall: 8011.66, 0.00298877/step, 1.92078 hours remaining, 206.535156 MB of memory in use. ENERGY: 2686400 722.3429 2117.6762 1966.2558 110.2123 -206577.3416 18119.2101 0.0000 0.0000 34019.3158 -149522.3285 297.0991 -183541.6443 -149427.3822 298.7517 64.4002 101.8735 557948.3704 15.9282 15.8479 PRESSURE: 2686600 141.769 -10.3448 76.8379 -10.3449 80.3158 101.288 76.8386 101.289 -31.7566 GPRESSURE: 2686600 182.391 -3.30257 85.5596 5.30031 47.3316 187.908 97.1627 30.2869 61.4023 PRESSAVG: 2686600 20.8602 -36.7812 25.4829 -36.7812 5.46408 11.793 25.4829 11.793 1.56503 GPRESSAVG: 2686600 22.3628 -38.6695 25.2992 -33.9484 3.50749 11.633 25.4228 11.5838 1.48134 TIMING: 2686600 CPU: 8012.26, 0.00296588/step Wall: 8012.26, 0.00296588/step, 1.90591 hours remaining, 206.535156 MB of memory in use. ENERGY: 2686600 771.1499 2076.7932 1936.8353 110.3806 -206537.9814 18046.9069 0.0000 0.0000 34202.4296 -149393.4859 298.6983 -183595.9155 -149298.7710 298.5135 63.4426 97.0415 558286.5810 9.2964 9.1172 PRESSURE: 2686800 66.2468 -82.997 3.20517 -82.9962 -91.5178 21.8751 3.20569 21.8737 79.0737 GPRESSURE: 2686800 98.3122 -74.4343 -49.3766 -92.2905 -81.4579 17.941 -2.14073 13.615 136.995 PRESSAVG: 2686800 22.1351 -37.2813 -0.144346 -37.2813 -1.19522 -34.812 -0.144374 -34.8121 14.0775 GPRESSAVG: 2686800 20.2368 -37.6598 0.144153 -36.2279 0.93772 -36.0206 -0.0813976 -34.5899 13.2971 TIMING: 2686800 CPU: 8012.85, 0.00294603/step Wall: 8012.85, 0.00294603/step, 1.89299 hours remaining, 206.535156 MB of memory in use. ENERGY: 2686800 753.9254 2078.3020 1927.4848 116.5527 -206551.2649 17861.6853 0.0000 0.0000 34236.4660 -149576.8486 298.9956 -183813.3147 -149479.1106 299.1635 17.9342 51.2830 556844.8783 11.6725 11.4905 PRESSURE: 2687000 -32.6987 -76.2542 -238.093 -76.2533 113.95 51.7776 -238.094 51.7771 285.559 GPRESSURE: 2687000 -43.768 -25.5222 -146.254 -91.8367 188.299 58.8464 -276.964 92.2474 316.216 PRESSAVG: 2687000 34.3029 -1.88061 -11.5047 -1.88063 -64.1954 34.0764 -11.5047 34.0764 6.79658 GPRESSAVG: 2687000 34.9694 -1.20458 -11.1915 -1.05952 -64.8066 33.896 -11.6388 33.0909 6.98221 TIMING: 2687000 CPU: 8013.44, 0.00295095/step Wall: 8013.44, 0.00295095/step, 1.89599 hours remaining, 206.535156 MB of memory in use. ENERGY: 2687000 759.9360 2054.3336 1893.2889 111.8465 -206752.8493 18052.0972 0.0000 0.0000 34234.5502 -149646.7968 298.9788 -183881.3470 -149544.3654 298.2723 122.2700 153.5820 555798.2359 -7.6987 -7.6183 PRESSURE: 2687200 13.5749 -21.1649 -71.691 -21.1659 225.743 33.922 -71.691 33.9218 -50.8346 GPRESSURE: 2687200 41.8536 -70.6732 -148.18 -105.756 292.8 84.5878 -35.3906 -51.7767 -39.8469 PRESSAVG: 2687200 35.3803 -14.8244 -52.1252 -14.8244 -26.5417 18.9718 -52.1252 18.9718 49.4111 GPRESSAVG: 2687200 36.0087 -14.1264 -52.9504 -16.2228 -26.5567 19.6374 -50.3441 18.705 48.7965 TIMING: 2687200 CPU: 8014.03, 0.00295304/step Wall: 8014.03, 0.00295304/step, 1.89717 hours remaining, 206.535156 MB of memory in use. ENERGY: 2687200 721.0460 2047.1872 1906.4473 110.6201 -206274.0013 17856.9590 0.0000 0.0000 34098.6244 -149533.1174 297.7918 -183631.7418 -149434.5195 298.6251 62.8277 98.2688 556692.2666 19.4166 19.4162 PRESSURE: 2687400 -78.2418 -35.8165 -65.9772 -35.816 32.3482 6.0193 -65.9757 6.01948 -87.4837 GPRESSURE: 2687400 -68.2498 -74.7056 -75.3735 -8.23041 97.8123 45.172 -95.3473 11.0905 -51.2086 PRESSAVG: 2687400 9.53162 -7.90285 -11.8993 -7.90292 -28.5086 19.5448 -11.8992 19.5448 29.6418 GPRESSAVG: 2687400 10.4624 -9.1072 -13.58 -6.91196 -28.9698 17.8884 -11.3097 20.9939 29.3649 TIMING: 2687400 CPU: 8014.62, 0.00295433/step Wall: 8014.62, 0.00295433/step, 1.89783 hours remaining, 206.535156 MB of memory in use. ENERGY: 2687400 715.2282 2035.1538 1899.1795 121.3896 -206082.3224 17679.2640 0.0000 0.0000 34219.3963 -149412.7110 298.8465 -183632.1073 -149307.5613 299.0485 -44.4591 -7.2154 557302.3962 3.5549 3.6192 PRESSURE: 2687600 -174.229 103.071 -37.7963 103.071 -61.2997 -12.206 -37.7951 -12.2068 170.388 GPRESSURE: 2687600 -165.759 138.611 50.6213 82.2862 7.05262 17.0666 -74.6073 -13.0893 187.015 PRESSAVG: 2687600 48.2523 -16.7153 4.10684 -16.7152 -0.556302 0.24262 4.10685 0.242559 -43.5421 GPRESSAVG: 2687600 46.3614 -19.0078 6.00895 -16.2805 -0.343128 1.59409 2.61221 0.309457 -42.9812 TIMING: 2687600 CPU: 8015.21, 0.00294127/step Wall: 8015.21, 0.00294127/step, 1.88928 hours remaining, 206.535156 MB of memory in use. ENERGY: 2687600 748.2990 2101.6738 1919.6686 110.8600 -206217.5475 17769.0605 0.0000 0.0000 34279.6707 -149288.3148 299.3729 -183567.9855 -149191.0139 299.0174 -21.7136 9.4361 556785.1405 1.3846 1.0124 PRESSURE: 2687800 -77.68 4.67454 -109.764 4.67321 -37.9438 -97.6132 -109.764 -97.6108 -179.423 GPRESSURE: 2687800 -53.2325 23.623 -63.9511 86.5 -69.1261 -131.865 -27.5985 -152.6 -82.0396 PRESSAVG: 2687800 59.117 -7.33125 -47.7448 -7.33129 -55.9175 -25.7969 -47.7448 -25.7969 3.35462 GPRESSAVG: 2687800 58.6319 -5.90082 -46.9611 -7.40492 -56.4354 -25.0158 -47.8285 -26.9174 4.25546 TIMING: 2687800 CPU: 8015.8, 0.00294714/step Wall: 8015.8, 0.00294714/step, 1.89288 hours remaining, 206.535156 MB of memory in use. ENERGY: 2687800 768.3887 2106.1579 1929.1154 114.3992 -206093.5774 17661.3221 0.0000 0.0000 34253.9545 -149260.2396 299.1483 -183514.1941 -149158.1951 299.4311 -98.3488 -68.1327 556273.4177 2.1847 2.1507 PRESSURE: 2688000 -364.526 53.1104 -21.2889 53.1103 -44.4168 21.5865 -21.2895 21.5879 -39.1804 GPRESSURE: 2688000 -289.123 175.635 -29.7165 4.86471 -50.0949 26.369 -68.033 23.7034 -12.8563 PRESSAVG: 2688000 -53.5949 5.09521 10.8045 5.09524 10.2538 -11.5924 10.8045 -11.5923 -0.666619 GPRESSAVG: 2688000 -51.588 6.05554 9.04122 3.8028 10.4333 -10.2034 12.6993 -12.761 -2.3431 TIMING: 2688000 CPU: 8016.38, 0.00293493/step Wall: 8016.38, 0.00293493/step, 1.88488 hours remaining, 206.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2688000 768.4213 2095.0114 1955.3991 107.8104 -205816.9628 17553.7594 0.0000 0.0000 34355.8317 -148980.7296 300.0380 -183336.5612 -148879.8087 300.5316 -149.3744 -117.3582 557956.1891 -14.6692 -14.4993 PRESSURE: 2688200 -139.835 87.3974 -34.7033 87.3987 30.88 -10.3585 -34.7032 -10.359 248.081 GPRESSURE: 2688200 -75.8882 150.313 18.7386 88.1114 44.1384 -21.8238 45.7037 1.55862 273.945 PRESSAVG: 2688200 -43.3553 -16.7682 -42.7259 -16.7682 68.2119 9.80143 -42.7259 9.80153 -7.64509 GPRESSAVG: 2688200 -42.4981 -17.5702 -43.4625 -15.7086 68.6003 8.35826 -43.1117 12.1784 -8.54837 TIMING: 2688200 CPU: 8016.98, 0.00296013/step Wall: 8016.98, 0.00296013/step, 1.9009 hours remaining, 206.535156 MB of memory in use. ENERGY: 2688200 731.6893 2109.8733 1942.5467 126.8590 -206384.8673 17730.0730 0.0000 0.0000 34546.8722 -149196.9537 301.7064 -183743.8259 -149093.1812 300.0642 46.3755 80.7317 556196.4683 5.7372 5.8513 LDB: ============= START OF LOAD BALANCING ============== 8020.52 LDB: ============== END OF LOAD BALANCING =============== 8020.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8020.52 LDB: ============= START OF LOAD BALANCING ============== 8020.82 LDB: Largest compute 4773 load 0.028519 is 24.1% of average load 0.118173 LDB: Average compute 0.001745 is 1.5% of average load 0.118173 LDB: TIME 8020.82 LOAD: AVG 0.118173 MAX 0.205291 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.535 MB LDB: TIME 8020.82 LOAD: AVG 0.118173 MAX 0.205291 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.535 MB LDB: TIME 8020.82 LOAD: AVG 0.118173 MAX 0.205291 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.535 MB LDB: ============== END OF LOAD BALANCING =============== 8020.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8020.83 PRESSURE: 2688400 -93.3308 145.657 32.4116 145.657 -338.958 -115.477 32.4129 -115.478 -169.597 GPRESSURE: 2688400 -117.659 166.195 97.6628 92.8636 -264.913 -151.636 -24.1333 -64.4562 -115.524 PRESSAVG: 2688400 15.8375 0.268594 -7.43127 0.268565 11.3777 38.0394 -7.43133 38.0395 -20.2365 GPRESSAVG: 2688400 13.3081 1.81054 -5.86647 -0.156078 12.4283 37.7378 -7.79307 36.8894 -18.6408 TIMING: 2688400 CPU: 8017.58, 0.00301139/step Wall: 8017.58, 0.00301139/step, 1.93364 hours remaining, 208.078125 MB of memory in use. ENERGY: 2688400 753.4283 2075.2594 1933.9488 109.0058 -205841.0342 17447.8962 0.0000 0.0000 34446.6558 -149074.8399 300.8312 -183521.4957 -148976.7733 299.2069 -200.6285 -166.0317 557845.6002 2.3262 2.3652 PRESSURE: 2688600 2.3148 55.2647 -20.8301 55.2654 35.6012 109.249 -20.8305 109.247 -224.667 GPRESSURE: 2688600 95.8077 31.3748 31.3185 20.6008 90.5764 102.511 -31.6152 106.352 -280.086 PRESSAVG: 2688600 -18.7971 54.3596 3.93905 54.3597 22.2919 -38.59 3.93907 -38.59 0.0132149 GPRESSAVG: 2688600 -17.9238 54.8768 4.60812 52.7928 22.0513 -38.7951 2.37012 -38.8279 -0.558976 TIMING: 2688600 CPU: 8018.16, 0.0029269/step Wall: 8018.16, 0.0029269/step, 1.87923 hours remaining, 208.218750 MB of memory in use. ENERGY: 2688600 719.9017 2107.5362 1932.9648 116.8002 -205724.7321 17539.2248 0.0000 0.0000 34179.7570 -149128.5475 298.5003 -183308.3045 -149033.3359 299.8167 -62.2502 -31.2340 557599.8560 1.1693 1.1895 PRESSURE: 2688800 93.8841 -176.63 -70.9901 -176.63 -18.2023 -98.8158 -70.9896 -98.8164 54.4751 GPRESSURE: 2688800 113.691 -133.913 -54.0698 -203.425 26.0422 -122.925 -52.2859 -90.9062 81.4727 PRESSAVG: 2688800 -49.6357 11.5465 -30.1076 11.5464 92.2516 18.7867 -30.1077 18.7868 -30.0323 GPRESSAVG: 2688800 -49.3491 10.1163 -29.4873 13.0945 92.1758 20.3825 -28.0258 18.3918 -30.6639 TIMING: 2688800 CPU: 8018.75, 0.00294403/step Wall: 8018.75, 0.00294403/step, 1.89007 hours remaining, 208.218750 MB of memory in use. ENERGY: 2688800 753.0764 2115.9928 1924.9774 112.6976 -206071.3847 17715.0731 0.0000 0.0000 34330.7233 -149118.8441 299.8187 -183449.5675 -149011.7416 299.4723 43.3857 73.7352 556940.5961 4.1945 4.0543 PRESSURE: 2689000 126.445 -182.108 -262.911 -182.109 107.656 30.9235 -262.912 30.9224 20.1552 GPRESSURE: 2689000 98.9062 -218.108 -213.176 -159.971 125.599 -26.5289 -187.897 57.2223 118.519 PRESSAVG: 2689000 -42.6389 -39.0224 -2.13924 -39.0225 61.8957 -27.2537 -2.13921 -27.2537 -42.3491 GPRESSAVG: 2689000 -42.7692 -38.1468 -2.46299 -38.8419 60.6567 -29.63 -2.80547 -26.9684 -40.7153 TIMING: 2689000 CPU: 8019.34, 0.00295377/step Wall: 8019.34, 0.00295377/step, 1.89616 hours remaining, 208.218750 MB of memory in use. ENERGY: 2689000 729.7749 2135.8140 1928.5852 114.7704 -206227.9643 17786.8050 0.0000 0.0000 34226.9245 -149305.2902 298.9122 -183532.2147 -149212.6049 298.4001 84.7519 114.3413 555613.6561 -7.6974 -7.6093 PRESSURE: 2689200 374.759 13.591 -79.9043 13.5897 60.9863 -45.8319 -79.9047 -45.8331 -245.3 GPRESSURE: 2689200 438.657 12.7131 -52.9411 24.6635 64.974 9.13871 -168.808 -117.521 -208.662 PRESSAVG: 2689200 9.6388 -24.7132 -70.4819 -24.7132 -22.6726 37.168 -70.4819 37.168 22.1504 GPRESSAVG: 2689200 9.59735 -25.4751 -70.9577 -24.8046 -20.8379 37.047 -71.5849 38.0073 20.7837 TIMING: 2689200 CPU: 8019.93, 0.00295245/step Wall: 8019.93, 0.00295245/step, 1.89514 hours remaining, 208.218750 MB of memory in use. ENERGY: 2689200 750.2600 2061.7880 1917.8354 110.1451 -206178.2668 17846.9480 0.0000 0.0000 34213.7775 -149277.5128 298.7974 -183491.2903 -149175.9365 299.1067 63.4819 98.3232 557383.3610 3.0388 3.1810 PRESSURE: 2689400 102.517 70.836 -22.8527 70.8353 87.118 91.9089 -22.8525 91.9092 -42.4474 GPRESSURE: 2689400 98.4732 32.1965 17.8824 69.5529 93.67 114.673 -6.0329 9.18096 61.4699 PRESSAVG: 2689400 5.17482 11.0082 -27.6221 11.0082 14.6642 38.1726 -27.6221 38.1725 -19.4146 GPRESSAVG: 2689400 4.62857 11.2383 -29.579 10.1024 14.4665 39.5172 -26.2675 35.7215 -18.6028 TIMING: 2689400 CPU: 8020.52, 0.0029341/step Wall: 8020.52, 0.0029341/step, 1.8832 hours remaining, 208.218750 MB of memory in use. ENERGY: 2689400 751.3194 2137.9327 1946.5027 101.9803 -206274.1621 17876.7798 0.0000 0.0000 34270.6806 -149188.9665 299.2944 -183459.6471 -149093.8257 299.0764 49.0624 84.5377 557476.0278 0.1415 0.1641 PRESSURE: 2689600 -48.395 -16.0448 -76.397 -16.0434 -278.054 113.61 -76.3979 113.611 -69.4089 GPRESSURE: 2689600 -16.4117 34.9555 -21.146 -161.144 -194.469 91.2374 -158.639 131.542 -79.3705 PRESSAVG: 2689600 -41.9587 -17.581 -38.437 -17.581 95.9041 -3.88387 -38.437 -3.88381 7.79608 GPRESSAVG: 2689600 -41.2715 -16.0876 -35.8184 -16.8645 94.6338 -3.93447 -37.2242 -1.60588 9.05513 TIMING: 2689600 CPU: 8021.11, 0.00296224/step Wall: 8021.11, 0.00296224/step, 1.9011 hours remaining, 208.218750 MB of memory in use. ENERGY: 2689600 731.8014 2145.1630 1933.1759 102.1423 -206117.4685 17684.6968 0.0000 0.0000 34359.3072 -149161.1818 300.0684 -183520.4890 -149063.4468 299.7146 -131.9527 -96.7503 556616.4108 20.5805 20.8058 PRESSURE: 2689800 4.99257 11.4937 -130.077 11.4955 148.234 -145.228 -130.077 -145.228 128.933 GPRESSURE: 2689800 92.5435 41.1008 -122.525 44.6137 125.299 -169.79 -206.604 -129.729 159.904 PRESSAVG: 2689800 -83.6161 46.9073 -11.672 46.9072 23.8443 50.3378 -11.6719 50.3376 6.05452 GPRESSAVG: 2689800 -82.998 44.4802 -10.8915 47.1945 24.8407 50.2804 -13.4657 50.0212 4.72613 TIMING: 2689800 CPU: 8021.7, 0.00296068/step Wall: 8021.7, 0.00296068/step, 1.89993 hours remaining, 208.218750 MB of memory in use. ENERGY: 2689800 729.8719 2137.9808 1935.7746 98.0989 -206159.4085 17810.2330 0.0000 0.0000 34189.1970 -149258.2523 298.5828 -183447.4494 -149167.5223 299.4495 94.0532 125.9157 555900.3914 -17.9058 -17.8104 PRESSURE: 2690000 -161.009 51.5785 -96.4199 51.5796 65.9624 205.098 -96.4192 205.097 25.1977 GPRESSURE: 2690000 -166.666 33.4327 -94.0629 9.54605 148.918 182.969 -144.847 172.557 41.3199 PRESSAVG: 2690000 3.34846 -17.0825 -31.3599 -17.0826 40.2224 66.0837 -31.3598 66.0838 -34.654 GPRESSAVG: 2690000 2.84335 -17.7154 -31.9518 -15.8451 39.8649 65.5283 -30.7063 65.8618 -33.7261 TIMING: 2690000 CPU: 8022.3, 0.00297538/step Wall: 8022.3, 0.00297538/step, 1.9092 hours remaining, 208.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2690000 747.7575 2082.4594 1919.6670 103.9577 -206124.2801 17672.9366 0.0000 0.0000 34162.3731 -149435.1287 298.3485 -183597.5019 -149342.2112 298.7415 -23.2831 7.8574 558264.9971 2.9723 2.9940 PRESSURE: 2690200 -58.9048 -84.0137 -7.13808 -84.0142 -132.577 -1.6045 -7.1395 -1.60513 18.9736 GPRESSURE: 2690200 -59.3613 -29.6768 3.86321 -78.8254 -84.7198 71.9677 -30.2187 -42.4015 84.7755 PRESSAVG: 2690200 -63.6559 35.4663 -20.0724 35.4664 35.4531 61.7819 -20.0725 61.7819 13.6569 GPRESSAVG: 2690200 -64.1846 36.0803 -22.932 33.8786 36.0511 63.2882 -19.1974 61.4071 12.9769 TIMING: 2690200 CPU: 8022.89, 0.0029619/step Wall: 8022.89, 0.0029619/step, 1.90039 hours remaining, 208.218750 MB of memory in use. ENERGY: 2690200 766.7300 2058.1419 1901.7264 114.0136 -206319.3132 17853.7220 0.0000 0.0000 34315.7336 -149309.2457 299.6878 -183624.9793 -149217.2140 299.1698 -57.5027 -19.7685 557486.5095 -4.8486 -5.0522 PRESSURE: 2690400 141.155 -81.9598 -126.193 -81.96 107.091 132.231 -126.193 132.231 148.323 GPRESSURE: 2690400 180.838 -108.741 -147.593 -48.6595 184.931 197.352 -82.507 147.354 131.189 PRESSAVG: 2690400 95.0525 -0.469999 -42.4958 -0.470012 0.484166 45.9006 -42.4958 45.9008 -45.0122 GPRESSAVG: 2690400 95.1625 0.69172 -40.9836 -0.4485 0.112616 45.5666 -44.2517 47.4705 -44.7135 TIMING: 2690400 CPU: 8023.49, 0.00297628/step Wall: 8023.49, 0.00297628/step, 1.90945 hours remaining, 208.218750 MB of memory in use. ENERGY: 2690400 730.5559 2079.4824 1913.9813 107.6318 -206451.6673 17981.5103 0.0000 0.0000 34164.1400 -149474.3656 298.3639 -183638.5056 -149380.5007 298.9444 132.1896 165.6526 556286.3370 16.8415 16.8539 PRESSURE: 2690600 274.925 -147.032 -20.2671 -147.033 278.6 -8.19781 -20.2671 -8.19777 18.7744 GPRESSURE: 2690600 311.781 -86.9744 30.5764 -272.461 305.005 -15.6415 -63.0792 -10.4576 74.074 PRESSAVG: 2690600 70.4642 -0.823229 -70.9333 -0.82334 38.7924 12.961 -70.9334 12.9611 -64.6011 GPRESSAVG: 2690600 70.8159 -1.68077 -70.9522 -0.55997 38.905 12.9753 -70.1592 9.91704 -65.2798 TIMING: 2690600 CPU: 8024.08, 0.00294651/step Wall: 8024.08, 0.00294651/step, 1.89018 hours remaining, 208.218750 MB of memory in use. ENERGY: 2690600 753.8895 1994.9557 1916.9985 107.5142 -206519.2841 18148.1540 0.0000 0.0000 34260.7012 -149337.0711 299.2072 -183597.7723 -149241.6342 298.8316 190.7665 230.2866 556589.2118 14.8852 14.8137 PRESSURE: 2690800 -88.3877 -33.2029 44.0489 -33.203 -9.1988 -18.5379 44.0487 -18.5381 -124.392 GPRESSURE: 2690800 -75.963 -8.35983 23.0536 -62.1245 -10.763 24.671 44.9975 14.0966 -63.0148 PRESSAVG: 2690800 50.0868 -21.7163 -1.2686 -21.7162 -27.1958 2.70669 -1.26855 2.70661 -47.6006 GPRESSAVG: 2690800 49.0103 -20.2911 -0.300055 -23.4222 -27.3378 3.48766 0.733101 6.60075 -47.0442 TIMING: 2690800 CPU: 8024.66, 0.00294402/step Wall: 8024.66, 0.00294402/step, 1.88843 hours remaining, 208.218750 MB of memory in use. ENERGY: 2690800 788.4472 2069.2702 1903.0736 94.9131 -206085.5498 17590.1769 0.0000 0.0000 34348.4582 -149291.2106 299.9736 -183639.6688 -149193.5387 299.3054 -73.9930 -49.9136 557314.1748 -8.2365 -8.4572 PRESSURE: 2691000 -92.9942 -121.558 -60.7972 -121.558 -176.614 3.67346 -60.7965 3.67249 -20.594 GPRESSURE: 2691000 2.01575 1.64066 -11.0101 -172.921 -139.931 26.3027 -74.3716 -32.2015 -28.7271 PRESSAVG: 2691000 -18.6217 18.6956 9.97424 18.6956 23.7526 56.2954 9.97426 56.2954 24.9698 GPRESSAVG: 2691000 -18.1562 17.9893 10.6685 19.8932 24.0227 56.9282 8.20862 53.4005 24.4181 TIMING: 2691000 CPU: 8025.26, 0.00296346/step Wall: 8025.26, 0.00296346/step, 1.90073 hours remaining, 208.218750 MB of memory in use. ENERGY: 2691000 728.7754 2063.4814 1919.3902 115.2697 -205980.2266 17683.2454 0.0000 0.0000 34081.4672 -149388.5972 297.6419 -183470.0644 -149298.2477 298.6514 -96.7341 -55.5475 557072.4939 10.0336 10.0949 PRESSURE: 2691200 -48.9884 -111.582 64.4452 -111.581 -109.19 -34.8553 64.4442 -34.8566 -21.0381 GPRESSURE: 2691200 -2.57738 -163.038 36.1711 -26.6736 -84.7868 -7.39517 83.7719 17.0341 -0.613975 PRESSAVG: 2691200 -55.9981 -7.57908 -15.3121 -7.57905 65.363 55.1488 -15.3121 55.1487 -13.9736 GPRESSAVG: 2691200 -55.6378 -8.05527 -15.1317 -7.37434 64.3998 52.8012 -14.6947 56.7376 -13.3787 TIMING: 2691200 CPU: 8025.85, 0.00296103/step Wall: 8025.85, 0.00296103/step, 1.89901 hours remaining, 208.218750 MB of memory in use. ENERGY: 2691200 764.5209 2001.2116 1953.5791 134.1007 -206020.1398 17552.3516 0.0000 0.0000 34345.9069 -149268.4691 299.9513 -183614.3760 -149170.3287 298.6556 -59.7387 -29.3260 557726.3127 -1.5362 -1.5389 PRESSURE: 2691400 163.055 46.0676 84.7099 46.0701 187.576 132.849 84.7085 132.848 -125.591 GPRESSURE: 2691400 191.247 47.4221 109.379 -9.40538 193.29 124.956 104.06 52.9761 -61.4141 PRESSAVG: 2691400 -75.6223 -68.5534 -28.3013 -68.5534 117.388 2.20369 -28.3014 2.20383 -46.1929 GPRESSAVG: 2691400 -76.6581 -66.9906 -28.1121 -68.2446 117.96 5.3303 -31.7055 -0.17545 -46.0128 TIMING: 2691400 CPU: 8026.44, 0.00296259/step Wall: 8026.44, 0.00296259/step, 1.89985 hours remaining, 208.218750 MB of memory in use. ENERGY: 2691400 743.6057 2010.2464 1939.4477 127.1263 -206219.9573 17903.9947 0.0000 0.0000 34284.8792 -149210.6573 299.4184 -183495.5365 -149110.0069 298.8550 75.0134 107.7078 558186.2980 -1.4757 -1.5702 PRESSURE: 2691600 -57.4913 33.0493 -46.5029 33.0513 266.181 49.0833 -46.5028 49.0826 79.5282 GPRESSURE: 2691600 -15.5997 3.2124 -18.2085 31.6149 254.47 110.92 -22.9745 -6.493 142.912 PRESSAVG: 2691600 15.8527 -2.77236 -0.245478 -2.77236 27.7379 3.89019 -0.245566 3.89024 -44.5362 GPRESSAVG: 2691600 15.5925 -2.29265 -0.698879 -4.66348 26.5886 -0.254802 2.2778 6.85683 -43.8114 TIMING: 2691600 CPU: 8027.03, 0.00296024/step Wall: 8027.03, 0.00296023/step, 1.89817 hours remaining, 208.218750 MB of memory in use. ENERGY: 2691600 747.8774 2051.4684 1951.8250 111.9584 -205963.2885 17982.8946 0.0000 0.0000 33946.9005 -149170.3643 296.4667 -183117.2647 -149067.8706 298.3386 96.0726 127.2606 558333.0418 -0.3152 -0.5434 PRESSURE: 2691800 -43.2863 -79.6843 96.1263 -79.6847 -191.317 -114.419 96.126 -114.419 -96.5532 GPRESSURE: 2691800 -45.1854 -136.668 101.473 20.3981 -123.097 -129.938 101.401 -71.3262 -69.4765 PRESSAVG: 2691800 -41.3874 -5.20448 41.8108 -5.20452 39.3298 -1.68776 41.8108 -1.6878 47.328 GPRESSAVG: 2691800 -41.4523 -5.49444 41.9344 -5.09321 39.9611 -0.369108 41.2576 -1.27692 46.4632 TIMING: 2691800 CPU: 8027.62, 0.00293218/step Wall: 8027.62, 0.00293218/step, 1.88002 hours remaining, 208.218750 MB of memory in use. ENERGY: 2691800 767.9254 2146.2906 1927.4851 111.0986 -206068.9091 17705.1169 0.0000 0.0000 34210.2856 -149200.7069 298.7669 -183410.9925 -149105.8763 299.2222 -110.3854 -79.2529 557698.3644 15.0901 14.9907 PRESSURE: 2692000 -14.2475 6.69607 -105.139 6.69576 -201.527 53.3551 -105.14 53.3554 260.937 GPRESSURE: 2692000 48.6168 -37.1542 -30.523 16.5662 -190.721 75.5859 -18.7635 21.1625 298.272 PRESSAVG: 2692000 73.6185 3.79546 -32.2655 3.79536 -41.5802 -24.2912 -32.2655 -24.2912 -68.2502 GPRESSAVG: 2692000 74.4809 2.46035 -32.6979 4.46068 -42.4086 -23.6185 -29.8822 -24.5754 -68.2404 TIMING: 2692000 CPU: 8028.21, 0.0029363/step Wall: 8028.21, 0.00293629/step, 1.88249 hours remaining, 208.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2692000 747.0821 2133.7985 1961.3845 110.1246 -206027.7503 17681.3181 0.0000 0.0000 34269.4515 -149124.5910 299.2836 -183394.0425 -149025.9815 300.0375 15.0541 52.0561 557022.1658 -12.0706 -12.0560 PRESSURE: 2692200 197.034 90.3529 18.0405 90.3521 111.949 56.5612 18.0391 56.5604 12.3994 GPRESSURE: 2692200 194.904 84.5797 -17.2292 128.778 153.184 82.359 -5.12969 -7.15535 71.5034 PRESSAVG: 2692200 44.1771 -2.1657 -30.424 -2.1657 11.3654 -1.3545 -30.4241 -1.35445 -44.4622 GPRESSAVG: 2692200 43.5501 -1.65049 -31.8472 -1.62334 12.1908 -1.8417 -33.0504 -1.4489 -44.3582 TIMING: 2692200 CPU: 8028.8, 0.00294699/step Wall: 8028.8, 0.00294699/step, 1.88919 hours remaining, 208.218750 MB of memory in use. ENERGY: 2692200 729.6213 2095.1432 1935.0868 113.6203 -206608.4853 18047.0811 0.0000 0.0000 34627.0889 -149060.8436 302.4070 -183687.9325 -148971.6536 300.0698 107.1274 139.8638 556634.7827 3.6934 3.7942 LDB: ============= START OF LOAD BALANCING ============== 8032.34 LDB: ============== END OF LOAD BALANCING =============== 8032.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8032.34 LDB: ============= START OF LOAD BALANCING ============== 8032.64 LDB: Largest compute 4773 load 0.027195 is 23.0% of average load 0.118314 LDB: Average compute 0.001738 is 1.5% of average load 0.118314 LDB: TIME 8032.64 LOAD: AVG 0.118314 MAX 0.205925 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.047 MB LDB: TIME 8032.64 LOAD: AVG 0.118314 MAX 0.205925 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.25 MB LDB: TIME 8032.64 LOAD: AVG 0.118314 MAX 0.205925 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8032.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8032.65 PRESSURE: 2692400 41.4183 43.8619 -18.51 43.8604 180.047 200.353 -18.5099 200.353 -83.9732 GPRESSURE: 2692400 80.1303 82.3549 -19.8594 7.80319 198.595 212.091 -32.5022 142.504 -65.881 PRESSAVG: 2692400 -6.26019 -34.137 -1.55154 -34.137 52.9246 7.85846 -1.5515 7.85846 -46.7362 GPRESSAVG: 2692400 -6.40648 -31.0373 -0.488198 -35.5149 52.0645 6.76538 -0.662459 8.57472 -46.4258 TIMING: 2692400 CPU: 8029.4, 0.0030068/step Wall: 8029.4, 0.0030068/step, 1.92736 hours remaining, 207.246094 MB of memory in use. ENERGY: 2692400 710.3022 2093.0138 1936.7434 132.4023 -205893.0919 17694.2732 0.0000 0.0000 34261.1164 -149065.2407 299.2109 -183326.3571 -148969.0166 299.7559 45.8305 70.9481 557569.3502 -0.0239 -0.2559 PRESSURE: 2692600 -228.367 105.663 -95.497 105.661 111.131 56.0409 -95.4967 56.0419 -138.57 GPRESSURE: 2692600 -200.119 157.724 -47.6509 57.2922 132.654 -34.384 -170.191 35.9042 -94.1144 PRESSAVG: 2692600 7.87008 72.3267 -36.6575 72.3266 34.2754 -24.9651 -36.6574 -24.965 -43.8495 GPRESSAVG: 2692600 7.13654 69.8071 -36.5314 73.4552 34.2306 -22.5391 -36.7794 -26.8126 -43.0872 TIMING: 2692600 CPU: 8029.99, 0.00296178/step Wall: 8029.99, 0.00296178/step, 1.89834 hours remaining, 207.246094 MB of memory in use. ENERGY: 2692600 754.7902 2046.3998 1946.4749 123.0204 -206138.5594 17675.9754 0.0000 0.0000 34494.3944 -149097.5045 301.2481 -183591.8989 -148998.9752 299.6153 -85.2688 -53.8599 557632.5843 -0.5680 -0.5733 PRESSURE: 2692800 -15.1223 -115.28 -42.8638 -115.281 -40.5257 78.1989 -42.8635 78.1985 29.2016 GPRESSURE: 2692800 4.40562 -195.454 -109.588 -52.0793 6.44839 117.113 -115.021 76.9794 74.1238 PRESSAVG: 2692800 47.602 -44.57 32.5811 -44.5701 -8.92355 31.9378 32.5811 31.9378 -41.4548 GPRESSAVG: 2692800 48.1614 -43.9608 33.6505 -43.8202 -8.86912 32.3619 31.2667 31.9571 -42.0952 TIMING: 2692800 CPU: 8030.58, 0.00295369/step Wall: 8030.58, 0.00295369/step, 1.89299 hours remaining, 207.246094 MB of memory in use. ENERGY: 2692800 750.2668 2144.3934 1914.1380 129.7035 -205858.1501 17811.5288 0.0000 0.0000 34233.2191 -148874.9004 298.9672 -183108.1195 -148785.1845 300.5552 -8.8154 28.3259 558383.5850 -0.9255 -0.9343 PRESSURE: 2693000 -119.006 51.8795 57.1273 51.8804 138.339 -21.1602 57.1262 -21.1585 33.1573 GPRESSURE: 2693000 -84.7473 24.6901 7.96407 28.9368 189.389 -7.57038 80.9549 -59.13 27.8432 PRESSAVG: 2693000 -11.627 -58.7542 -11.099 -58.7542 46.192 25.9277 -11.099 25.9275 -1.66431 GPRESSAVG: 2693000 -11.9648 -58.1609 -13.9097 -60.0914 46.6799 25.5157 -10.7616 26.0033 -2.18289 TIMING: 2693000 CPU: 8031.17, 0.00291697/step Wall: 8031.17, 0.00291697/step, 1.86929 hours remaining, 207.246094 MB of memory in use. ENERGY: 2693000 729.8045 2143.7994 1929.6770 118.5035 -206109.4632 17860.0433 0.0000 0.0000 34469.9300 -148857.7055 301.0345 -183327.6355 -148758.3928 300.7360 17.4970 44.1618 557283.2772 10.9669 10.8441 PRESSURE: 2693200 190.462 -50.7142 39.8978 -50.7135 -5.00915 -39.4826 39.8974 -39.4825 103.117 GPRESSURE: 2693200 255.339 -58.137 166.018 -45.3421 56.2937 39.5106 48.9283 -140.059 86.474 PRESSAVG: 2693200 27.2883 10.5051 -34.8613 10.5051 -16.0738 27.5342 -34.8614 27.5341 -37.1564 GPRESSAVG: 2693200 27.3191 10.3254 -32.2276 10.643 -16.111 26.8496 -34.1709 27.455 -36.9493 TIMING: 2693200 CPU: 8031.75, 0.0029333/step Wall: 8031.75, 0.0029333/step, 1.8796 hours remaining, 207.246094 MB of memory in use. ENERGY: 2693200 735.5445 2204.7442 1913.8969 116.8016 -205949.2297 17922.8656 0.0000 0.0000 34382.8262 -148672.5508 300.2738 -183055.3770 -148576.1497 300.3666 96.1902 132.7021 557723.9389 -8.6473 -8.5804 PRESSURE: 2693400 -155.272 41.0285 -138.188 41.0288 -129.497 -117.275 -138.189 -117.274 -88.0965 GPRESSURE: 2693400 -159.172 72.1249 -146.457 -12.5168 -93.4178 -108.574 -100.668 -50.5583 -6.95397 PRESSAVG: 2693400 52.5822 7.4763 18.4671 7.47631 -9.65853 57.5187 18.4671 57.5187 -39.0894 GPRESSAVG: 2693400 51.7963 6.78876 19.0729 8.63148 -9.45776 57.1084 19.147 60.1839 -38.2137 TIMING: 2693400 CPU: 8032.34, 0.00294245/step Wall: 8032.34, 0.00294245/step, 1.8853 hours remaining, 207.246094 MB of memory in use. ENERGY: 2693400 767.3792 2125.2380 1922.6167 119.8836 -205502.4472 17611.2138 0.0000 0.0000 34217.7056 -148738.4102 298.8317 -182956.1158 -148644.3397 300.1386 -124.2884 -86.5147 559484.0660 1.2781 1.3749 PRESSURE: 2693600 75.9858 -240.192 -131.384 -240.191 -46.4496 -51.3154 -131.384 -51.3134 -17.5903 GPRESSURE: 2693600 160.993 -202.023 -74.1418 -237.106 -18.5007 -93.1789 -92.0866 -62.3662 -35.7945 PRESSAVG: 2693600 32.7685 42.2375 -32.4115 42.2375 -9.01963 -48.2637 -32.4114 -48.2636 1.80482 GPRESSAVG: 2693600 33.9881 43.0202 -33.167 42.5623 -9.71142 -48.5719 -33.8197 -48.6875 0.989908 TIMING: 2693600 CPU: 8032.93, 0.00294595/step Wall: 8032.93, 0.00294595/step, 1.88737 hours remaining, 207.246094 MB of memory in use. ENERGY: 2693600 728.2108 2139.3893 1910.8634 115.1460 -206060.4520 17939.9019 0.0000 0.0000 34416.2722 -148810.6683 300.5659 -183226.9405 -148716.8060 300.7750 3.9820 35.5659 558592.9635 8.5179 8.4222 PRESSURE: 2693800 184.511 -39.742 -136.254 -39.7415 -53.3284 -7.14978 -136.254 -7.1498 -76.1425 GPRESSURE: 2693800 232.264 -104.447 -155.586 38.1586 -4.48689 53.4075 -60.2559 -44.1987 -65.1002 PRESSAVG: 2693800 64.562 29.7566 6.91515 29.7565 -45.3785 22.432 6.91517 22.4321 -20.8793 GPRESSAVG: 2693800 65.3566 29.9799 8.74097 29.069 -46.6013 22.6588 7.69175 22.2522 -20.2032 TIMING: 2693800 CPU: 8033.52, 0.00293866/step Wall: 8033.52, 0.00293866/step, 1.88254 hours remaining, 207.246094 MB of memory in use. ENERGY: 2693800 741.2402 2088.1222 1918.8594 119.8257 -205840.2998 17826.2256 0.0000 0.0000 34391.5580 -148754.4688 300.3500 -183146.0268 -148660.5826 300.3845 18.3467 54.2255 557662.5853 -0.5653 -0.4826 PRESSURE: 2694000 -53.1766 126.002 30.2307 126.002 -12.4137 17.421 30.2309 17.4222 69.3414 GPRESSURE: 2694000 -42.1349 88.4425 131.908 179.334 68.4399 -81.444 6.1061 44.0285 53.8178 PRESSAVG: 2694000 57.685 69.2348 -21.4663 69.2347 -72.7661 2.29279 -21.4662 2.29277 -7.76087 GPRESSAVG: 2694000 57.4175 69.1784 -22.6015 70.0518 -71.982 2.71551 -21.4455 3.37693 -8.76031 TIMING: 2694000 CPU: 8034.11, 0.00294095/step Wall: 8034.11, 0.00294095/step, 1.88384 hours remaining, 207.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2694000 689.5410 2077.3822 1924.6909 109.6706 -205718.7578 17683.2979 0.0000 0.0000 34447.6695 -148786.5057 300.8401 -183234.1753 -148681.9767 300.3363 1.2504 26.7076 558401.2035 -7.6140 -7.7749 PRESSURE: 2694200 168.869 103.299 -0.175221 103.297 75.3232 -72.3861 -0.174886 -72.3856 192.251 GPRESSURE: 2694200 199.92 100.331 -53.4426 61.2223 115.11 -105.794 9.75958 -3.68634 210.982 PRESSAVG: 2694200 9.77601 61.0689 27.362 61.0689 -63.2193 38.4682 27.362 38.4683 52.6523 GPRESSAVG: 2694200 9.13535 59.1019 28.0871 61.5631 -62.9703 41.2966 27.2124 34.6017 53.2441 TIMING: 2694200 CPU: 8034.7, 0.00295624/step Wall: 8034.7, 0.00295624/step, 1.89347 hours remaining, 207.246094 MB of memory in use. ENERGY: 2694200 726.0054 2092.7968 1925.0434 94.4995 -206097.0450 17917.5066 0.0000 0.0000 34412.1843 -148929.0091 300.5302 -183341.1933 -148833.7901 301.0814 145.4810 175.3375 556782.0628 -0.2636 -0.1970 PRESSURE: 2694400 -26.8204 -191.257 0.834446 -191.257 -128.546 115.107 0.835313 115.107 15.7646 GPRESSURE: 2694400 16.4182 -175.07 -7.57824 -134.935 -118.96 190.873 50.9178 51.7907 59.0131 PRESSAVG: 2694400 73.0492 -22.6042 -29.2419 -22.6043 -109.536 -12.6043 -29.2419 -12.6045 22.8407 GPRESSAVG: 2694400 73.6726 -20.6882 -30.7957 -22.468 -110.253 -16.7881 -29.178 -9.57488 22.2934 TIMING: 2694400 CPU: 8035.29, 0.00294851/step Wall: 8035.29, 0.00294851/step, 1.88836 hours remaining, 207.246094 MB of memory in use. ENERGY: 2694400 755.2617 2087.9468 1910.3849 121.3052 -205693.4050 17674.2157 0.0000 0.0000 34325.7171 -148818.5735 299.7750 -183144.2906 -148730.7171 300.2586 -46.5338 -14.5097 557182.4547 -4.5486 -4.7624 PRESSURE: 2694600 -116.672 -34.7517 -26.7949 -34.7519 139.864 20.7687 -26.7945 20.7687 -116.908 GPRESSURE: 2694600 -113.079 -60.3811 -30.5653 -95.783 161.143 22.4502 -6.15475 14.9833 -30.7459 PRESSAVG: 2694600 63.086 43.935 -23.2485 43.9351 -18.33 40.3346 -23.2485 40.3346 -29.6067 GPRESSAVG: 2694600 62.893 45.6631 -24.7854 41.8128 -18.6068 42.0499 -21.8561 40.0517 -29.4153 TIMING: 2694600 CPU: 8035.87, 0.00293541/step Wall: 8035.87, 0.00293541/step, 1.8798 hours remaining, 207.246094 MB of memory in use. ENERGY: 2694600 732.1928 2127.6275 1901.6863 100.4426 -205637.7423 17612.2000 0.0000 0.0000 34307.3109 -148856.2823 299.6143 -183163.5932 -148763.3373 300.4249 -31.2387 5.7727 557234.8316 5.0498 4.9570 PRESSURE: 2694800 -83.1516 -75.6282 -184.299 -75.6279 6.1369 -156.544 -184.299 -156.544 -107.296 GPRESSURE: 2694800 -15.7502 54.4307 -255.204 -54.4425 21.7776 -156.837 -132.964 -105 -76.9245 PRESSAVG: 2694800 -26.9326 11.7038 -23.8775 11.7039 -13.0893 15.5371 -23.8774 15.537 66.1204 GPRESSAVG: 2694800 -27.51 8.60873 -23.2788 15.774 -11.8963 16.5566 -24.414 15.3324 65.3205 TIMING: 2694800 CPU: 8036.47, 0.00295994/step Wall: 8036.47, 0.00295994/step, 1.89535 hours remaining, 207.246094 MB of memory in use. ENERGY: 2694800 749.9266 2124.9056 1906.3072 119.0179 -205529.2793 17487.0897 0.0000 0.0000 34497.2332 -148644.7991 301.2729 -183142.0323 -148548.4813 301.3763 -61.4370 -23.6324 557491.9799 8.6995 8.6381 PRESSURE: 2695000 -214.838 -72.0011 -109.32 -72.0012 -130.805 -55.6449 -109.322 -55.646 -293.632 GPRESSURE: 2695000 -164.351 -43.1052 -101.392 -96.1148 -83.9946 -41.1515 -72.3716 -98.0704 -285.743 PRESSAVG: 2695000 47.7003 40.3589 -12.2038 40.3589 -14.8621 37.6486 -12.2037 37.6486 -51.1196 GPRESSAVG: 2695000 47.9963 41.2218 -11.2355 37.9576 -14.6271 35.919 -11.9996 38.5449 -51.3433 TIMING: 2695000 CPU: 8037.06, 0.00295163/step Wall: 8037.06, 0.00295163/step, 1.88987 hours remaining, 207.246094 MB of memory in use. ENERGY: 2695000 749.9399 2052.3804 1908.7042 115.8569 -205802.8213 17561.7211 0.0000 0.0000 34580.6520 -148833.5670 302.0014 -183414.2189 -148734.2052 300.8102 -213.0917 -178.0294 558930.0090 -6.0938 -5.9914 PRESSURE: 2695200 -208.538 -118.331 -62.6196 -118.33 -59.5508 14.5391 -62.6198 14.5393 33.1935 GPRESSURE: 2695200 -149.269 -156.61 -30.218 -130.621 -59.5017 -43.2163 -121.025 111.08 82.7146 PRESSAVG: 2695200 27.5803 -39.236 -49.6901 -39.236 -7.53223 -13.2683 -49.69 -13.2683 -2.96186 GPRESSAVG: 2695200 27.0939 -38.7255 -50.1376 -40.0739 -9.27912 -11.5534 -51.2965 -14.0522 -0.392988 TIMING: 2695200 CPU: 8037.64, 0.00294259/step Wall: 8037.64, 0.00294259/step, 1.88391 hours remaining, 207.246094 MB of memory in use. ENERGY: 2695200 714.7296 2122.2147 1936.2033 113.0966 -205761.3009 17691.2065 0.0000 0.0000 34311.8533 -148871.9968 299.6539 -183183.8501 -148776.0842 300.5188 -78.2985 -42.0187 557874.5206 5.6954 5.8072 PRESSURE: 2695400 -53.1786 -47.4097 161.868 -47.4096 -203.682 -37.2927 161.868 -37.2938 -146.293 GPRESSURE: 2695400 -25.1457 -33.4266 104.866 -45.4798 -217.135 24.029 139.153 -15.6196 -67.6461 PRESSAVG: 2695400 -20.098 -16.3719 28.8053 -16.3719 5.74662 8.66844 28.8053 8.6683 51.4248 GPRESSAVG: 2695400 -20.0824 -17.3292 29.3266 -16.2702 7.56943 8.07773 28.9692 9.4631 49.7767 TIMING: 2695400 CPU: 8038.23, 0.00294078/step Wall: 8038.23, 0.00294078/step, 1.88259 hours remaining, 207.246094 MB of memory in use. ENERGY: 2695400 758.8430 2129.7272 1914.9827 117.5036 -205995.4064 17647.0596 0.0000 0.0000 34493.3326 -148933.9578 301.2389 -183427.2904 -148834.3300 300.5963 -134.3845 -103.3090 558604.5083 12.3578 12.4212 PRESSURE: 2695600 101.943 -153.139 6.23997 -153.139 135.174 -133.774 6.23941 -133.775 -213.549 GPRESSURE: 2695600 159.065 -66.6527 -24.704 -200.69 121.006 -124.356 -75.3798 -125.663 -162.128 PRESSAVG: 2695600 -28.4577 22.3442 30.9106 22.3441 14.0232 11.7062 30.9106 11.7061 13.7518 GPRESSAVG: 2695600 -29.2626 21.4696 29.2318 21.8544 14.8827 10.6578 30.9479 11.5009 14.28 TIMING: 2695600 CPU: 8038.82, 0.00293764/step Wall: 8038.82, 0.00293764/step, 1.88042 hours remaining, 207.246094 MB of memory in use. ENERGY: 2695600 795.1866 2089.9882 1938.8551 124.5023 -206060.4711 17834.6270 0.0000 0.0000 34270.7130 -149006.5989 299.2947 -183277.3119 -148911.8375 300.0384 7.8562 39.3142 558098.3431 -0.2275 -0.0333 PRESSURE: 2695800 -290.264 19.7811 42.9111 19.7805 -226.493 65.7032 42.9102 65.7046 37.1719 GPRESSURE: 2695800 -267.645 44.9289 24.1309 69.8935 -153.005 97.5554 53.4005 62.6761 55.8839 PRESSAVG: 2695800 -59.2268 -69.5614 42.1792 -69.5614 22.7868 -8.28067 42.1792 -8.28066 21.52 GPRESSAVG: 2695800 -58.2226 -67.4125 42.1975 -68.4517 22.242 -7.83217 44.1492 -9.54739 21.6964 TIMING: 2695800 CPU: 8039.41, 0.00294131/step Wall: 8039.41, 0.00294131/step, 1.8826 hours remaining, 207.246094 MB of memory in use. ENERGY: 2695800 750.2986 2081.5338 1921.7608 101.6107 -205977.0621 17675.5900 0.0000 0.0000 34494.3865 -148951.8817 301.2481 -183446.2682 -148859.2707 300.4333 -159.8617 -121.5889 559927.0480 -4.9733 -4.7614 PRESSURE: 2696000 161.011 -40.7648 -148.442 -40.7648 266.771 186.377 -148.444 186.377 3.01387 GPRESSURE: 2696000 182.523 -20.3104 -206.523 -58.0172 291.961 106.513 -114.692 243.301 57.6009 PRESSAVG: 2696000 -105.959 -0.572793 -42.6389 -0.572837 -16.4223 40.0773 -42.6389 40.0775 68.8565 GPRESSAVG: 2696000 -106.542 -0.827841 -42.3153 -1.88427 -15.4913 38.5952 -43.3191 42.1123 68.5923 TIMING: 2696000 CPU: 8040, 0.00295112/step Wall: 8040, 0.00295112/step, 1.88872 hours remaining, 207.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2696000 743.2498 2143.7682 1916.5669 122.0697 -205785.1404 17885.4953 0.0000 0.0000 34227.1658 -148746.8246 298.9144 -182973.9904 -148654.2504 300.7514 143.5987 177.3617 558076.6782 -17.8417 -17.8136 PRESSURE: 2696200 64.213 -75.5939 82.0356 -75.5936 24.4225 3.55551 82.0359 3.55525 137.524 GPRESSURE: 2696200 110.466 -102.701 44.1092 -48.6066 36.8754 -127.669 15.0338 22.8132 166.705 PRESSAVG: 2696200 13.506 -36.9107 -43.9232 -36.9106 16.8848 -4.59658 -43.9232 -4.59654 -35.589 GPRESSAVG: 2696200 15.2014 -36.5887 -43.3994 -35.17 16.1408 -2.1771 -43.0776 -6.63002 -37.0885 TIMING: 2696200 CPU: 8040.59, 0.00294283/step Wall: 8040.59, 0.00294283/step, 1.88325 hours remaining, 207.246094 MB of memory in use. ENERGY: 2696200 763.2778 2120.4688 1925.6577 119.7257 -206124.4823 17853.5513 0.0000 0.0000 34502.6072 -148839.1938 301.3198 -183341.8009 -148742.5261 300.5567 75.3865 104.6820 557529.1313 -1.7327 -1.9154 LDB: ============= START OF LOAD BALANCING ============== 8044.13 LDB: ============== END OF LOAD BALANCING =============== 8044.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8044.13 LDB: ============= START OF LOAD BALANCING ============== 8044.43 LDB: Largest compute 4773 load 0.027505 is 23.2% of average load 0.118366 LDB: Average compute 0.001745 is 1.5% of average load 0.118366 LDB: TIME 8044.43 LOAD: AVG 0.118366 MAX 0.204848 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 8044.43 LOAD: AVG 0.118366 MAX 0.204848 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.078 MB LDB: TIME 8044.43 LOAD: AVG 0.118366 MAX 0.204848 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.078 MB LDB: ============== END OF LOAD BALANCING =============== 8044.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8044.44 PRESSURE: 2696400 -39.8182 44.188 -60.5017 44.1856 -139.493 -94.2928 -60.5016 -94.2933 -84.5371 GPRESSURE: 2696400 27.8543 -38.3524 -29.2251 44.8515 -122.364 -117.901 -63.7019 -90.5038 -77.0974 PRESSAVG: 2696400 -50.6882 3.68069 -75.2101 3.68073 47.9455 9.54097 -75.2101 9.54094 27.2578 GPRESSAVG: 2696400 -51.7372 2.64705 -73.1846 1.80928 48.8128 9.85882 -75.1269 11.6083 27.9496 TIMING: 2696400 CPU: 8041.19, 0.00300551/step Wall: 8041.19, 0.00300551/step, 1.92319 hours remaining, 206.734375 MB of memory in use. ENERGY: 2696400 761.6034 2148.1120 1937.7210 119.3474 -206408.1850 17782.9743 0.0000 0.0000 34336.2745 -149322.1523 299.8672 -183658.4268 -149218.0765 300.4868 -87.9496 -57.2024 557289.7827 8.1717 8.3417 PRESSURE: 2696600 -138.105 -112.205 118.143 -112.206 -62.529 1.1048 118.143 1.10654 122.201 GPRESSURE: 2696600 -101.511 -149.111 124.118 -129.273 -53.4655 -12.0889 78.3107 76.6295 180.022 PRESSAVG: 2696600 35.2533 9.98837 22.0959 9.98825 -11.0362 29.6995 22.0959 29.6996 21.7175 GPRESSAVG: 2696600 35.6279 10.009 20.2921 11.5786 -11.9674 28.9385 20.4543 28.2832 22.5534 TIMING: 2696600 CPU: 8041.78, 0.0029588/step Wall: 8041.78, 0.0029588/step, 1.89314 hours remaining, 206.734375 MB of memory in use. ENERGY: 2696600 740.6852 2173.8062 1954.1475 121.3294 -206291.7075 17776.0879 0.0000 0.0000 34255.3918 -149270.2594 299.1609 -183525.6512 -149187.8625 298.8217 -26.1441 8.3487 557574.4859 15.3115 15.4046 PRESSURE: 2696800 -9.01972 8.49647 8.28246 8.49642 -8.74706 -58.2636 8.28183 -58.2641 -98.6366 GPRESSURE: 2696800 16.4858 -16.9477 45.5944 6.46458 50.4106 -100.574 33.4565 34.1131 -86.9135 PRESSAVG: 2696800 17.4682 -84.4435 58.2421 -84.4434 -10.9949 33.4772 58.2421 33.4772 -19.2511 GPRESSAVG: 2696800 17.2379 -82.9796 58.195 -85.8428 -10.031 34.0749 58.4705 33.2091 -19.7566 TIMING: 2696800 CPU: 8042.37, 0.00294616/step Wall: 8042.37, 0.00294616/step, 1.88489 hours remaining, 206.734375 MB of memory in use. ENERGY: 2696800 738.5814 2078.5875 1941.1941 110.8989 -205926.3242 17551.9060 0.0000 0.0000 34398.9742 -149106.1821 300.4148 -183505.1562 -149007.5057 299.2127 -38.8011 -6.6724 556884.7340 -4.2593 -4.1832 PRESSURE: 2697000 237.491 -2.24593 39.1324 -2.24669 18.6516 69.218 39.1318 69.2181 -89.9491 GPRESSURE: 2697000 238.961 57.9405 79.9614 -52.4906 68.7536 99.2835 27.3695 43.2193 -48.9255 PRESSAVG: 2697000 28.9465 -21.5556 13.0772 -21.5557 -46.574 9.663 13.0771 9.66286 1.06437 GPRESSAVG: 2697000 27.296 -22.7004 11.2962 -18.8253 -45.6967 9.27135 14.3224 9.68887 2.15413 TIMING: 2697000 CPU: 8042.96, 0.00297168/step Wall: 8042.96, 0.00297168/step, 1.90105 hours remaining, 206.734375 MB of memory in use. ENERGY: 2697000 729.0828 2119.1734 1926.7904 124.1924 -206167.7482 17790.1927 0.0000 0.0000 34390.1236 -149088.1929 300.3375 -183478.3165 -148990.3882 299.3411 55.3977 86.2629 557257.3625 -5.5211 -5.4155 PRESSURE: 2697200 27.24 33.3404 21.9854 33.3396 435.79 57.2449 21.984 57.2449 21.8498 GPRESSURE: 2697200 116.885 57.6488 21.3809 -10.2882 427.631 26.4617 39.7745 29.2504 42.2203 PRESSAVG: 2697200 74.7486 -47.4146 4.86468 -47.4147 -32.481 -21.4531 4.86477 -21.4533 -42.334 GPRESSAVG: 2697200 75.7037 -46.0788 6.81156 -52.456 -34.2355 -20.9607 3.98311 -20.1181 -41.5215 TIMING: 2697200 CPU: 8043.56, 0.00298004/step Wall: 8043.56, 0.00298004/step, 1.90624 hours remaining, 206.734375 MB of memory in use. ENERGY: 2697200 771.3188 2085.8441 1918.7117 109.6627 -206379.1770 18041.7481 0.0000 0.0000 34268.6366 -149183.2549 299.2765 -183451.8915 -149084.7301 299.7334 161.6267 195.5786 557954.2555 -0.0221 -0.0178 PRESSURE: 2697400 -106.415 62.196 -64.8836 62.1958 290.804 5.57786 -64.8829 5.57817 121.86 GPRESSURE: 2697400 -64.9132 23.065 -139.917 37.0233 397.54 -13.5793 -51.0879 66.4216 80.8607 PRESSAVG: 2697400 -43.798 16.33 -31.7485 16.3299 53.161 2.27005 -31.7484 2.27008 11.6652 GPRESSAVG: 2697400 -43.1282 13.1384 -33.0576 19.1031 55.0987 2.69087 -32.9746 2.61682 9.24468 TIMING: 2697400 CPU: 8044.16, 0.00298206/step Wall: 8044.16, 0.00298206/step, 1.90736 hours remaining, 206.734375 MB of memory in use. ENERGY: 2697400 797.2495 2091.6922 1931.8991 119.0401 -206123.6915 17896.1077 0.0000 0.0000 34134.5775 -149153.1253 298.1058 -183287.7028 -149060.8018 300.2653 102.0830 137.8291 557049.4175 7.0094 7.0717 PRESSURE: 2697600 103.536 -127.239 9.39271 -127.239 30.4405 -35.4105 9.39245 -35.4109 -40.6715 GPRESSURE: 2697600 147.241 -117.879 50.7843 -122.052 33.0876 65.6273 53.9206 -35.6567 23.3753 PRESSAVG: 2697600 -22.5523 -11.6778 12.9025 -11.6777 5.19398 -14.883 12.9024 -14.8831 12.3058 GPRESSAVG: 2697600 -23.1436 -9.16177 15.3888 -12.2147 4.84274 -15.083 15.4697 -15.4914 13.7403 TIMING: 2697600 CPU: 8044.75, 0.00297466/step Wall: 8044.75, 0.00297466/step, 1.90246 hours remaining, 206.734375 MB of memory in use. ENERGY: 2697600 779.6553 2124.4879 1955.2552 109.4928 -206432.2129 17977.1239 0.0000 0.0000 34514.1021 -148972.0958 301.4202 -183486.1979 -148877.9332 300.2774 31.1017 67.9012 556307.7630 -1.6842 -1.5202 PRESSURE: 2697800 -61.7839 -136.769 83.2471 -136.769 10.0346 42.2349 83.2463 42.2358 -108.845 GPRESSURE: 2697800 12.4631 -133.728 49.9245 -122.205 39.9031 106.743 80.0213 -27.1096 -106.683 PRESSAVG: 2697800 -44.8051 -41.0289 -17.8393 -41.0289 -1.145 21.6741 -17.8394 21.674 43.3087 GPRESSAVG: 2697800 -45.1682 -42.132 -18.1742 -40.6832 -1.56792 23.1692 -20.3864 21.9724 44.9519 TIMING: 2697800 CPU: 8045.34, 0.00293765/step Wall: 8045.34, 0.00293765/step, 1.87863 hours remaining, 206.734375 MB of memory in use. ENERGY: 2697800 751.7829 2088.3824 1939.9484 111.4282 -206016.2793 17740.9875 0.0000 0.0000 34359.6961 -149024.0539 300.0718 -183383.7500 -148924.5950 299.6264 -53.5313 -18.1057 558156.9854 -0.8805 -0.5947 PRESSURE: 2698000 -235.684 30.1469 -72.7063 30.1482 -264.965 110.525 -72.7053 110.525 -257.527 GPRESSURE: 2698000 -187.099 15.84 -0.851134 124.108 -227.621 133.035 -108.138 43.3662 -232.9 PRESSAVG: 2698000 4.92663 14.6201 6.20109 14.6201 -15.1566 15.6169 6.20116 15.6169 22.2868 GPRESSAVG: 2698000 5.0006 15.8728 6.19577 14.7968 -15.0007 12.5876 5.14183 16.2028 22.4766 TIMING: 2698000 CPU: 8045.93, 0.00294882/step Wall: 8045.93, 0.00294882/step, 1.88561 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2698000 807.0747 2046.2535 1924.5365 113.9570 -205917.5622 17598.2680 0.0000 0.0000 34453.9856 -148973.4867 300.8952 -183427.4724 -148878.9976 300.1291 -252.7256 -215.8733 557292.2815 4.0190 4.1588 PRESSURE: 2698200 -209.159 -8.79937 14.5472 -8.7993 -36.0736 -8.2313 14.5474 -8.23057 265.769 GPRESSURE: 2698200 -145.041 30.2548 -75.831 -112.583 -12.1216 -98.7195 47.8215 -44.4532 272.668 PRESSAVG: 2698200 0.770182 4.76904 0.963603 4.76912 8.78712 -36.7218 0.963656 -36.7217 54.7588 GPRESSAVG: 2698200 2.42068 4.07284 0.949405 5.81547 8.99598 -36.2403 2.56844 -36.9298 53.6058 TIMING: 2698200 CPU: 8046.51, 0.00292073/step Wall: 8046.51, 0.00292073/step, 1.86749 hours remaining, 206.734375 MB of memory in use. ENERGY: 2698200 747.2697 2086.4373 1968.3867 115.7211 -206331.9780 17962.7410 0.0000 0.0000 34526.2984 -148925.1238 301.5268 -183451.4222 -148834.8542 301.0989 6.8454 38.5017 556436.0208 21.4387 21.6742 PRESSURE: 2698400 -165.366 -206.47 -68.9049 -206.471 -132.747 131.568 -68.9046 131.567 -184.86 GPRESSURE: 2698400 -154.886 -220.521 -40.4476 -178.005 -105.537 156.871 -91.7555 73.5344 -118.62 PRESSAVG: 2698400 -92.3637 13.0804 -8.47582 13.0805 56.0672 30.5286 -8.47573 30.5286 12.4175 GPRESSAVG: 2698400 -94.085 13.1558 -8.94861 13.2976 55.9221 29.6997 -8.65485 31.0676 14.6184 TIMING: 2698400 CPU: 8047.1, 0.00292476/step Wall: 8047.1, 0.00292476/step, 1.8699 hours remaining, 206.734375 MB of memory in use. ENERGY: 2698400 722.0010 2106.2294 1927.2224 119.3362 -205815.1735 17591.5923 0.0000 0.0000 34437.1448 -148911.6474 300.7482 -183348.7922 -148817.2705 300.8372 -160.9911 -126.3478 557246.0866 -7.9597 -7.8482 PRESSURE: 2698600 109.247 93.9913 -214.147 93.992 18.1055 4.97816 -214.148 4.9785 -106.298 GPRESSURE: 2698600 108.025 23.78 -276.896 181.036 73.6481 24.609 -181.252 -5.7107 -77.9825 PRESSAVG: 2698600 70.1745 -54.6312 -17.4948 -54.6312 -45.6419 -40.3495 -17.4949 -40.3496 15.004 GPRESSAVG: 2698600 71.4538 -54.6367 -18.2006 -53.5173 -46.3461 -39.5202 -18.4314 -40.86 13.8195 TIMING: 2698600 CPU: 8047.69, 0.00296137/step Wall: 8047.69, 0.00296137/step, 1.89314 hours remaining, 206.734375 MB of memory in use. ENERGY: 2698600 714.5631 2112.1169 1935.6697 122.7101 -205781.2710 17588.2332 0.0000 0.0000 34355.9669 -148952.0111 300.0392 -183307.9780 -148855.9519 300.3867 7.0182 34.5636 557086.2398 13.1788 12.9757 PRESSURE: 2698800 143.166 -57.7318 107.943 -57.731 309.208 73.1934 107.943 73.1931 -8.51638 GPRESSURE: 2698800 131.728 -17.5205 251.062 -83.9726 337.305 30.4238 117.833 30.7435 60.8209 PRESSAVG: 2698800 36.1835 -2.00936 1.79797 -2.00939 23.4641 13.1516 1.79799 13.1516 9.78686 GPRESSAVG: 2698800 35.2464 0.197906 2.09924 -4.18501 24.3967 14.3201 1.20295 12.2179 10.1734 TIMING: 2698800 CPU: 8048.28, 0.00294816/step Wall: 8048.28, 0.00294816/step, 1.88453 hours remaining, 206.734375 MB of memory in use. ENERGY: 2698800 738.7910 2080.6411 1948.0811 120.8429 -206255.1451 18003.3846 0.0000 0.0000 34252.7868 -149110.6176 299.1381 -183363.4043 -149010.4763 300.3039 147.9524 176.6179 556960.1048 23.1448 23.2722 PRESSURE: 2699000 -289.349 -54.1763 -6.17482 -54.1775 -115.584 -93.2812 -6.17468 -93.2805 -76.4821 GPRESSURE: 2699000 -247.674 -26.0125 -79.8773 -78.5471 -93.3715 -89.0422 -45.9335 -91.2625 -44.8173 PRESSAVG: 2699000 -12.8085 1.14978 -77.2195 1.1497 -38.1511 4.04853 -77.2195 4.04854 34.9673 GPRESSAVG: 2699000 -10.8042 -1.49595 -75.8089 1.77714 -38.8028 2.61421 -77.2019 4.97017 34.1733 TIMING: 2699000 CPU: 8048.87, 0.00294923/step Wall: 8048.87, 0.00294923/step, 1.88505 hours remaining, 206.734375 MB of memory in use. ENERGY: 2699000 745.2526 2141.2831 1905.8825 111.7785 -205954.1470 17514.4070 0.0000 0.0000 34468.1351 -149067.4082 301.0188 -183535.5433 -148966.3304 299.6483 -160.4718 -128.6208 557164.8133 -5.3307 -5.1446 PRESSURE: 2699200 102.082 -41.8151 48.3238 -41.8152 -79.0006 -5.47303 48.3233 -5.47501 43.4019 GPRESSURE: 2699200 88.4229 -30.2646 7.87472 -27.742 22.4228 118.466 11.0153 -66.0118 64.5118 PRESSAVG: 2699200 -58.7894 7.66622 31.4658 7.66617 25.5461 -1.00189 31.4658 -1.00197 20.4138 GPRESSAVG: 2699200 -58.9938 7.67693 31.5516 8.00902 25.3253 -0.334918 32.1078 -0.366721 20.7948 TIMING: 2699200 CPU: 8049.46, 0.00295838/step Wall: 8049.46, 0.00295838/step, 1.89073 hours remaining, 206.734375 MB of memory in use. ENERGY: 2699200 752.1034 2073.0407 1935.4847 113.4317 -205917.5026 17814.4278 0.0000 0.0000 34297.2298 -148931.7845 299.5262 -183229.0143 -148832.6220 300.0651 22.1613 58.4525 557516.9121 -4.2765 -4.2913 PRESSURE: 2699400 26.582 -27.3917 -167.703 -27.3911 178.097 -41.0295 -167.702 -41.0291 473.25 GPRESSURE: 2699400 69.5585 22.0275 -148.702 -47.8508 167.598 -75.939 -168.261 -57.9317 532.343 PRESSAVG: 2699400 -98.9289 4.13561 -21.9456 4.13555 -3.74645 9.07565 -21.9457 9.07566 85.7151 GPRESSAVG: 2699400 -100.225 3.83958 -22.0951 4.25861 -4.66721 6.19586 -22.2329 8.41843 87.8453 TIMING: 2699400 CPU: 8050.05, 0.00296347/step Wall: 8050.05, 0.00296347/step, 1.89382 hours remaining, 206.734375 MB of memory in use. ENERGY: 2699400 746.7838 2149.5078 1953.6597 126.6088 -206076.8337 18008.1320 0.0000 0.0000 34432.7240 -148659.4176 300.7095 -183092.1417 -148555.4060 300.3354 225.9763 256.5000 557169.0777 -5.6534 -5.6821 PRESSURE: 2699600 -185.1 3.31212 -58.8804 3.31136 73.6315 10.524 -58.8804 10.5241 -10.9026 GPRESSURE: 2699600 -91.0676 81.8207 -74.3722 50.0366 111.171 1.12226 -33.2279 -71.7127 -55.5518 PRESSAVG: 2699600 -28.38 -8.89703 -33.3207 -8.89706 0.456857 -18.1465 -33.3207 -18.1466 53.7157 GPRESSAVG: 2699600 -27.8342 -7.67262 -31.3227 -8.3119 0.986247 -16.3096 -34.6745 -18.7924 52.5111 TIMING: 2699600 CPU: 8050.65, 0.00296466/step Wall: 8050.65, 0.00296466/step, 1.89442 hours remaining, 206.734375 MB of memory in use. ENERGY: 2699600 758.3481 2116.2590 1958.9581 102.8307 -205650.2184 17515.1650 0.0000 0.0000 34609.5335 -148589.1240 302.2537 -183198.6575 -148495.2644 301.2246 -40.7904 -11.8162 558565.8087 8.5975 8.5544 PRESSURE: 2699800 17.2374 -97.6735 -127.744 -97.675 -192.11 -87.8489 -127.743 -87.8495 -316.499 GPRESSURE: 2699800 12.4874 -94.854 -65.8701 -90.2356 -174.199 -33.4415 -83.913 -111.97 -233.987 PRESSAVG: 2699800 7.77728 51.6969 -70.9788 51.6968 -0.140209 16.3618 -70.9787 16.3618 11.6455 GPRESSAVG: 2699800 7.97085 50.7783 -71.3838 50.6759 0.678728 15.1769 -69.8366 16.2076 10.8615 TIMING: 2699800 CPU: 8051.24, 0.00296955/step Wall: 8051.24, 0.00296955/step, 1.89738 hours remaining, 206.734375 MB of memory in use. ENERGY: 2699800 792.8047 2157.5274 1947.3408 109.6949 -205688.0784 17679.6415 0.0000 0.0000 34421.2622 -148579.8068 300.6094 -183001.0690 -148492.7993 300.8822 -163.7908 -131.8998 559074.6451 6.4275 6.5037 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 2700000 WRITING COORDINATES TO RESTART FILE AT STEP 2700000 FINISHED WRITING RESTART COORDINATES PRESSURE: 2700000 202.147 213.093 165.055 213.09 -4.27119 122.338 165.053 122.336 112.513 GPRESSURE: 2700000 260.177 228.883 184.845 149.132 34.3066 82.3718 94.5119 171.9 125.624 PRESSAVG: 2700000 29.7808 39.1212 11.5819 39.1211 -44.2633 47.027 11.5818 47.027 -4.63309 GPRESSAVG: 2700000 30.2538 39.6014 9.12539 39.3723 -45.3238 48.0757 12.3699 48.7352 -3.64865 TIMING: 2700000 CPU: 8051.85, 0.00303272/step Wall: 8051.85, 0.00303272/step, 1.93757 hours remaining, 206.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2700000 728.7792 2132.3966 1953.3504 111.7691 -206035.2819 18015.0558 0.0000 0.0000 34257.2916 -148836.6392 299.1774 -183093.9308 -148739.4078 300.4670 103.4627 140.0360 558815.9462 -6.3719 -6.2396 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2700000 WRITING VELOCITIES TO RESTART FILE AT STEP 2700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2700200 -80.3503 47.7221 -22.3377 47.7213 -254.083 58.1804 -22.3375 58.1797 -82.2574 GPRESSURE: 2700200 -42.2342 8.90714 -98.9203 41.2007 -141.524 -13.4605 23.7799 -3.03654 -127.226 PRESSAVG: 2700200 24.7386 -4.48774 -5.16134 -4.48772 18.8661 8.2238 -5.16134 8.2238 -27.5301 GPRESSAVG: 2700200 25.2806 -3.40545 -3.79468 -3.79873 18.4118 8.86307 -6.25902 8.45099 -27.8886 TIMING: 2700200 CPU: 8052.45, 0.00300133/step Wall: 8052.45, 0.00300133/step, 1.91735 hours remaining, 206.859375 MB of memory in use. ENERGY: 2700200 737.6901 2121.0126 1936.8566 118.1572 -205871.8170 17618.2338 0.0000 0.0000 34363.8692 -148975.9974 300.1082 -183339.8666 -148873.1389 300.4638 -138.8967 -103.6612 558159.3126 5.3582 5.2679 LDB: ============= START OF LOAD BALANCING ============== 8056 LDB: ============== END OF LOAD BALANCING =============== 8056 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8056 LDB: ============= START OF LOAD BALANCING ============== 8056.3 LDB: Largest compute 4773 load 0.027558 is 23.3% of average load 0.118240 LDB: Average compute 0.001743 is 1.5% of average load 0.118240 LDB: TIME 8056.3 LOAD: AVG 0.11824 MAX 0.205171 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 8056.3 LOAD: AVG 0.11824 MAX 0.205171 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: TIME 8056.3 LOAD: AVG 0.11824 MAX 0.205171 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8056.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8056.31 PRESSURE: 2700400 8.32279 -197.807 130.081 -197.807 -70.5432 -51.3533 130.082 -51.3552 -90.6843 GPRESSURE: 2700400 -22.984 -317.245 146.13 -199.153 -6.19434 -54.4623 103.397 -30.1914 -25.3987 PRESSAVG: 2700400 73.6032 -17.1715 74.5271 -17.1715 -40.2561 -4.90307 74.5271 -4.9031 -48.1921 GPRESSAVG: 2700400 72.5405 -19.9601 74.2176 -17.9567 -39.7413 -5.34131 74.7298 -4.99046 -47.67 TIMING: 2700400 CPU: 8053.06, 0.00305996/step Wall: 8053.06, 0.00305996/step, 1.95463 hours remaining, 207.179688 MB of memory in use. ENERGY: 2700400 719.8106 2074.2874 1945.0619 125.6122 -205724.2329 17568.7383 0.0000 0.0000 34294.0216 -148996.7009 299.4982 -183290.7225 -148902.9648 300.1956 -50.9682 -18.1923 556886.4524 -4.9483 -4.9569 PRESSURE: 2700600 -262.616 93.621 -260.122 93.6216 -190.947 38.9858 -260.123 38.985 50.1824 GPRESSURE: 2700600 -211.954 155.989 -202.96 167.646 -118.205 36.6407 -214.423 -14.2999 30.45 PRESSAVG: 2700600 59.5904 -20.9848 21.4707 -20.9847 -28.453 5.85247 21.4706 5.85247 14.9751 GPRESSAVG: 2700600 59.3987 -18.1685 20.3513 -24.0462 -27.0758 5.11559 22.9526 5.54545 13.767 TIMING: 2700600 CPU: 8053.66, 0.00297979/step Wall: 8053.66, 0.00297979/step, 1.90326 hours remaining, 207.179688 MB of memory in use. ENERGY: 2700600 741.1848 2151.6792 1934.1726 107.1982 -205661.0475 17435.8144 0.0000 0.0000 34099.6695 -149191.3288 297.8009 -183290.9983 -149088.7563 299.4772 -134.4602 -99.9032 557085.1830 15.3708 15.3633 PRESSURE: 2700800 189.43 69.0986 74.5198 69.0988 -186.713 -68.2325 74.5199 -68.2309 -238.982 GPRESSURE: 2700800 203.338 67.9134 54.9929 48.5685 -164.987 -46.2676 50.9986 -27.5505 -190.361 PRESSAVG: 2700800 37.867 -18.0858 -25.6104 -18.0857 -36.1506 20.1911 -25.6103 20.1912 5.73924 GPRESSAVG: 2700800 38.0296 -18.5751 -24.4421 -15.1449 -37.5887 21.7706 -25.287 21.5788 7.17999 TIMING: 2700800 CPU: 8054.25, 0.00296776/step Wall: 8054.25, 0.00296776/step, 1.89541 hours remaining, 207.179688 MB of memory in use. ENERGY: 2700800 729.1727 2036.8301 1956.7054 111.1405 -206074.2448 17829.0722 0.0000 0.0000 34180.0148 -149231.3091 298.5026 -183411.3238 -149133.0648 299.0450 -78.7549 -50.6700 558910.0761 2.4852 2.5403 PRESSURE: 2701000 -116.642 22.1042 -154.993 22.1046 -323.475 130.286 -154.993 130.285 51.9508 GPRESSURE: 2701000 -85.4007 22.5121 -182.742 8.54824 -259.226 139.799 -169.696 132.723 47.5279 PRESSAVG: 2701000 25.0351 32.8248 -17.3689 32.8249 -14.288 -27.8537 -17.3689 -27.8538 -27.373 GPRESSAVG: 2701000 24.503 33.8036 -17.5679 32.8718 -13.74 -26.0775 -18.6561 -30.4278 -27.5724 TIMING: 2701000 CPU: 8054.84, 0.00295361/step Wall: 8054.84, 0.00295361/step, 1.88621 hours remaining, 207.179688 MB of memory in use. ENERGY: 2701000 743.1962 2043.7414 1963.0098 114.2510 -206441.9496 17860.5174 0.0000 0.0000 34393.4693 -149323.7646 300.3667 -183717.2339 -149227.2945 298.6330 -129.3887 -99.0331 558079.8018 -5.5419 -5.6031 PRESSURE: 2701200 -41.5706 -28.5195 48.2202 -28.5203 -212.349 -28.9471 48.2206 -28.9464 38.88 GPRESSURE: 2701200 20.0608 -93.0024 12.6768 -73.1292 -172.774 -19.8439 16.3645 -30.7971 31.551 PRESSAVG: 2701200 15.4647 12.6413 -4.36663 12.6414 7.90009 64.2273 -4.36667 64.2272 -0.596994 GPRESSAVG: 2701200 16.0855 11.4231 -2.96368 12.114 7.82517 61.0013 -5.66576 65.9093 -1.24965 TIMING: 2701200 CPU: 8055.43, 0.00296762/step Wall: 8055.43, 0.00296762/step, 1.89499 hours remaining, 207.179688 MB of memory in use. ENERGY: 2701200 717.5107 2072.7668 1945.7977 115.6436 -205975.4792 17722.1719 0.0000 0.0000 34226.3763 -149175.2122 298.9075 -183401.5885 -149079.2542 299.2757 -71.6799 -40.3874 560131.3669 7.5893 7.5537 PRESSURE: 2701400 7.13162 -97.1952 14.0823 -97.1951 180.374 -18.8666 14.0832 -18.8651 -200.398 GPRESSURE: 2701400 -19.5184 -44.9339 0.338272 -109.418 231.217 -38.4444 31.4568 -48.7373 -140.917 PRESSAVG: 2701400 -41.7186 -11.539 9.37627 -11.539 -48.0889 12.0765 9.37619 12.0766 97.7707 GPRESSAVG: 2701400 -41.7399 -11.8712 7.72272 -12.4842 -48.6913 10.9509 10.3153 12.7627 98.772 TIMING: 2701400 CPU: 8056.03, 0.00297953/step Wall: 8056.03, 0.00297953/step, 1.90243 hours remaining, 207.179688 MB of memory in use. ENERGY: 2701400 745.0566 2112.3825 1940.5706 114.2172 -206202.0992 17914.5110 0.0000 0.0000 34324.5352 -149050.8261 299.7647 -183375.3613 -148952.2177 299.6613 -4.2973 23.5938 560113.2060 2.6544 2.7803 PRESSURE: 2701600 -237.028 40.7826 -112.293 40.7818 -157.523 -39.0886 -112.293 -39.0887 -255.407 GPRESSURE: 2701600 -214.89 -6.70351 -121.342 16.57 -111.549 -28.694 -44.3295 -60.932 -219.545 PRESSAVG: 2701600 -13.1794 -19.2477 -31.7235 -19.2477 7.1399 11.383 -31.7234 11.3831 -24.4147 GPRESSAVG: 2701600 -13.2719 -20.5833 -32.1852 -17.5114 8.68141 14.023 -30.7131 11.8476 -25.612 TIMING: 2701600 CPU: 8056.62, 0.00297878/step Wall: 8056.62, 0.00297878/step, 1.90179 hours remaining, 207.179688 MB of memory in use. ENERGY: 2701600 766.5065 2052.3168 1926.1646 102.9245 -205772.0114 17691.5732 0.0000 0.0000 34092.1521 -149140.3736 297.7352 -183232.5257 -149046.1466 299.3157 -216.6525 -181.9944 559125.6726 -10.1514 -10.0675 PRESSURE: 2701800 -283.118 89.8695 20.751 89.8697 -109.157 -31.141 20.7497 -31.1416 -108.7 GPRESSURE: 2701800 -226.484 124.249 -27.1352 137.626 -95.0194 50.3783 42.5501 -33.0508 -77.6241 PRESSAVG: 2701800 -83.665 -43.8475 -38.3024 -43.8474 -21.9275 23.3948 -38.3023 23.3949 94.7428 GPRESSAVG: 2701800 -83.7849 -43.0994 -36.3543 -46.1044 -21.7533 22.5583 -39.2931 22.0573 94.6388 TIMING: 2701800 CPU: 8057.23, 0.00301212/step Wall: 8057.23, 0.00301212/step, 1.92291 hours remaining, 207.179688 MB of memory in use. ENERGY: 2701800 755.0206 2095.0814 1946.3594 121.0931 -205594.9021 17487.5721 0.0000 0.0000 34209.9792 -148979.7963 298.7643 -183189.7755 -148877.5096 299.4956 -166.9918 -133.0426 558284.7775 -3.6166 -3.6331 PRESSURE: 2702000 177.824 -12.8648 -48.673 -12.8639 166.391 -91.5464 -48.6731 -91.5479 262.87 GPRESSURE: 2702000 258.712 -38.1322 77.4718 49.0791 93.8646 14.4499 -80.3094 -185.965 367.772 PRESSAVG: 2702000 -3.95362 10.0854 -15.1183 10.0855 -5.86136 -16.0242 -15.1183 -16.0242 -4.15099 GPRESSAVG: 2702000 -3.40567 10.5521 -16.0625 10.251 -8.37469 -13.7647 -15.561 -17.4901 -1.69651 TIMING: 2702000 CPU: 8057.83, 0.00299396/step Wall: 8057.83, 0.00299396/step, 1.91115 hours remaining, 207.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2702000 712.3870 2067.1037 1911.5018 119.3197 -206277.8665 18140.4639 0.0000 0.0000 34489.7820 -148837.3083 301.2078 -183327.0903 -148736.8161 299.9597 202.3618 240.1161 558303.8186 -4.6553 -4.4923 PRESSURE: 2702200 -26.6115 13.354 85.5637 13.3553 151.55 -53.7792 85.5635 -53.7789 13.328 GPRESSURE: 2702200 -1.4103 52.3885 86.9803 -46.7733 169.22 -47.7225 55.1668 -33.4858 66.6551 PRESSAVG: 2702200 29.6909 -18.9119 -7.23178 -18.9118 -44.3837 -10.0971 -7.23172 -10.0973 9.9467 GPRESSAVG: 2702200 30.7197 -19.5732 -6.0996 -19.4784 -43.6348 -9.59927 -6.18434 -10.2081 8.80511 TIMING: 2702200 CPU: 8058.42, 0.00297088/step Wall: 8058.42, 0.00297088/step, 1.89625 hours remaining, 207.179688 MB of memory in use. ENERGY: 2702200 748.8831 2067.9564 1963.4973 127.1334 -205972.2016 17750.6958 0.0000 0.0000 34441.4364 -148872.5992 300.7856 -183314.0355 -148766.7924 300.3595 46.0888 78.1549 557878.1079 -1.5820 -1.3700 PRESSURE: 2702400 -185.467 -105.711 -64.2283 -105.711 -184.964 100.021 -64.2271 100.021 -152.632 GPRESSURE: 2702400 -95.2071 -59.8153 -121.755 -43.5656 -185.935 113.534 19.2436 88.7312 -139.804 PRESSAVG: 2702400 -33.27 -22.4601 -9.84589 -22.4603 14.0188 15.7451 -9.8459 15.7451 -16.7863 GPRESSAVG: 2702400 -33.6431 -22.115 -11.1081 -21.2879 14.7185 13.7722 -10.2386 18.6798 -17.5754 TIMING: 2702400 CPU: 8059.01, 0.00296552/step Wall: 8059.01, 0.00296552/step, 1.89266 hours remaining, 207.179688 MB of memory in use. ENERGY: 2702400 759.4042 2072.7044 1936.4088 108.5063 -206049.5359 17741.9447 0.0000 0.0000 34504.0825 -148926.4848 301.3327 -183430.5674 -148826.7112 300.7188 -174.3544 -140.3155 558984.6279 -12.0125 -12.1667 PRESSURE: 2702600 -63.8269 -70.5318 -47.7125 -70.5321 -81.8775 50.1116 -47.7129 50.1097 61.5679 GPRESSURE: 2702600 -23.7634 -65.4031 -37.62 -51.0927 -40.9233 26.4602 -120.576 63.1128 88.1054 PRESSAVG: 2702600 -37.8729 -2.22655 -0.573095 -2.22657 67.4014 49.0047 -0.573152 49.0048 -2.6814 GPRESSAVG: 2702600 -38.4031 -2.12351 1.87672 -2.34902 67.6968 49.2606 -0.64843 46.4401 -2.43326 TIMING: 2702600 CPU: 8059.6, 0.00295629/step Wall: 8059.6, 0.00295629/step, 1.8866 hours remaining, 207.179688 MB of memory in use. ENERGY: 2702600 750.5226 2108.3972 1919.3424 106.8320 -205946.3129 17675.4002 0.0000 0.0000 34290.4952 -149095.3234 299.4674 -183385.8186 -149003.6252 300.0636 -28.0455 7.8062 558290.3864 8.9490 8.9535 PRESSURE: 2702800 12.1355 -91.435 -81.1793 -91.4362 22.4531 25.9238 -81.1795 25.9245 119.525 GPRESSURE: 2702800 80.1754 -108.45 -58.6403 -47.1634 38.0405 39.5257 -70.42 36.0253 127.762 PRESSAVG: 2702800 -46.4958 -2.53366 -6.34398 -2.53358 48.8447 50.1919 -6.344 50.192 35.5709 GPRESSAVG: 2702800 -46.971 -2.50332 -7.45261 -1.27456 49.1012 52.4632 -6.53245 49.9771 35.8019 TIMING: 2702800 CPU: 8060.19, 0.002945/step Wall: 8060.19, 0.002945/step, 1.87923 hours remaining, 207.179688 MB of memory in use. ENERGY: 2702800 768.5087 2086.7646 1913.2298 101.8827 -206245.4642 17939.4099 0.0000 0.0000 34379.7231 -149055.9455 300.2467 -183435.6686 -148957.1731 299.9371 51.3712 81.9926 558602.9167 12.6400 12.6440 PRESSURE: 2703000 -342.038 -96.7228 164.658 -96.7214 23.9166 -70.0249 164.657 -70.0271 -374.561 GPRESSURE: 2703000 -295.484 -148.373 243.026 2.06228 47.9062 -8.99853 43.1515 -172.533 -347.305 PRESSAVG: 2703000 -17.0019 5.67909 -22.9045 5.67909 56.3782 33.3534 -22.9045 33.3534 -27.5315 GPRESSAVG: 2703000 -16.621 5.09978 -23.1931 5.80609 56.2487 32.0128 -22.0476 35.835 -27.6362 TIMING: 2703000 CPU: 8060.79, 0.00296368/step Wall: 8060.79, 0.00296368/step, 1.89099 hours remaining, 207.179688 MB of memory in use. ENERGY: 2703000 777.8121 2110.2681 1925.3979 113.0702 -205591.7649 17457.1748 0.0000 0.0000 34268.4495 -148939.5923 299.2749 -183208.0418 -148852.8059 300.2113 -230.8944 -198.2945 558585.8363 3.9483 3.9972 PRESSURE: 2703200 -169.585 84.8958 -57.2118 84.8963 72.4414 58.6556 -57.2127 58.6572 386.743 GPRESSURE: 2703200 -130.796 46.4828 -102.67 163.67 89.0129 -9.97369 -58.2924 107.463 406.929 PRESSAVG: 2703200 -37.5033 32.0817 -31.1933 32.0818 27.9662 -12.4041 -31.1933 -12.4041 21.9074 GPRESSAVG: 2703200 -36.8647 32.3252 -33.1759 32.4588 28.742 -11.4963 -29.9793 -15.5192 20.0902 TIMING: 2703200 CPU: 8061.38, 0.00294802/step Wall: 8061.38, 0.00294802/step, 1.88084 hours remaining, 207.179688 MB of memory in use. ENERGY: 2703200 750.4712 2118.3242 1902.4161 100.4478 -206042.6996 17920.5297 0.0000 0.0000 34581.0036 -148669.5070 302.0045 -183250.5106 -148573.1248 300.7326 96.5331 121.7151 558570.7041 4.1234 3.9891 PRESSURE: 2703400 48.7482 -57.4839 6.26305 -57.4822 79.7183 85.6762 6.26191 85.6755 -205.694 GPRESSURE: 2703400 6.55469 -94.2835 -30.0793 -59.7765 117.116 185.169 25.9035 71.5237 -103.324 PRESSAVG: 2703400 2.86722 -29.7359 -85.4565 -29.7359 -25.479 18.8574 -85.4564 18.8574 37.5554 GPRESSAVG: 2703400 2.64806 -29.4377 -83.5721 -31.1986 -27.5568 18.0242 -87.0215 20.015 39.9978 TIMING: 2703400 CPU: 8061.96, 0.00294207/step Wall: 8061.96, 0.00294207/step, 1.87688 hours remaining, 207.179688 MB of memory in use. ENERGY: 2703400 742.6515 2173.5624 1924.3903 102.4956 -206045.8052 17709.8109 0.0000 0.0000 34561.6386 -148831.2561 301.8354 -183392.8947 -148731.4522 300.7737 -25.7423 6.7821 556749.3618 4.9812 5.0297 PRESSURE: 2703600 -275.957 -7.46423 -108.785 -7.46384 -94.3552 -167.432 -108.786 -167.43 -87.3145 GPRESSURE: 2703600 -227.354 -75.4852 -138.506 30.7138 -65.8808 -244.434 -62.2526 -130.456 -69.8283 PRESSAVG: 2703600 78.6751 -5.24124 -20.9626 -5.24118 2.71078 7.94621 -20.9627 7.94623 -81.5139 GPRESSAVG: 2703600 78.7154 -4.16769 -23.688 -5.89066 4.62876 7.56717 -19.5509 7.85526 -82.81 TIMING: 2703600 CPU: 8062.55, 0.00295089/step Wall: 8062.55, 0.00295089/step, 1.88234 hours remaining, 207.179688 MB of memory in use. ENERGY: 2703600 760.2724 2118.5056 1934.2066 97.8578 -205889.0199 17502.1006 0.0000 0.0000 34478.1217 -148997.9553 301.1060 -183476.0770 -148899.2531 300.3698 -152.5422 -121.0212 556833.4821 -0.0427 0.1780 PRESSURE: 2703800 -27.2104 146.153 -23.3611 146.154 -61.9629 83.15 -23.3606 83.1476 67.8016 GPRESSURE: 2703800 43.9568 151.314 -68.6201 133.463 -27.1473 13.0431 -42.7303 58.4759 55.1593 PRESSAVG: 2703800 38.9675 23.4693 -39.4065 23.4692 -54.9281 19.8227 -39.4065 19.8226 20.6514 GPRESSAVG: 2703800 39.6023 24.268 -37.1726 23.8434 -55.7526 18.2289 -40.7136 20.2243 21.2708 TIMING: 2703800 CPU: 8063.14, 0.00294671/step Wall: 8063.14, 0.00294671/step, 1.87951 hours remaining, 207.179688 MB of memory in use. ENERGY: 2703800 720.5528 2077.0049 1973.7412 115.2246 -205737.5510 17675.5077 0.0000 0.0000 34243.2956 -148932.2241 299.0552 -183175.5197 -148836.4941 299.5890 -7.1239 23.9896 556327.9153 1.5636 1.7068 PRESSURE: 2704000 148.115 146.158 58.0649 146.16 259.251 -27.2407 58.0656 -27.2401 162.335 GPRESSURE: 2704000 187.472 117.413 77.3469 66.1366 286.46 23.1208 71.5222 -49.2239 200.12 PRESSAVG: 2704000 51.7627 62.6014 -27.3135 62.6016 -19.3561 31.4364 -27.3135 31.4363 -13.9176 GPRESSAVG: 2704000 52.105 61.7031 -25.4462 60.6935 -19.5397 32.36 -27.9035 30.9985 -14.2546 TIMING: 2704000 CPU: 8063.74, 0.00296249/step Wall: 8063.74, 0.00296249/step, 1.88941 hours remaining, 207.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2704000 694.6665 2078.5687 1927.1562 120.1066 -206286.6461 18013.3364 0.0000 0.0000 34523.5547 -148929.2570 301.5028 -183452.8117 -148824.2276 299.6193 189.9004 224.6840 555973.3752 6.1630 6.1035 PRESSURE: 2704200 -219.803 56.4504 -95.681 56.4506 -82.7105 -124.051 -95.6815 -124.05 -48.2287 GPRESSURE: 2704200 -132.354 123.459 -67.0715 49.1834 -84.0596 -168.394 -135.656 -97.8599 -34.9894 PRESSAVG: 2704200 41.4245 38.2432 -19.2392 38.2433 -31.8972 26.4472 -19.2391 26.4471 13.3575 GPRESSAVG: 2704200 40.734 36.8286 -19.8059 40.1621 -32.1025 27.7648 -18.8713 25.72 13.8559 TIMING: 2704200 CPU: 8064.33, 0.00298844/step Wall: 8064.33, 0.00298844/step, 1.90579 hours remaining, 207.179688 MB of memory in use. ENERGY: 2704200 730.8463 2078.8083 1944.0579 117.4732 -205848.7108 17519.3642 0.0000 0.0000 34478.0786 -148980.0823 301.1056 -183458.1609 -148882.5988 300.7037 -116.9141 -83.8011 557302.0861 7.6282 7.4958 LDB: ============= START OF LOAD BALANCING ============== 8067.88 LDB: ============== END OF LOAD BALANCING =============== 8067.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8067.88 LDB: ============= START OF LOAD BALANCING ============== 8068.18 LDB: Largest compute 4773 load 0.026746 is 22.6% of average load 0.118381 LDB: Average compute 0.001741 is 1.5% of average load 0.118381 LDB: TIME 8068.18 LOAD: AVG 0.118381 MAX 0.206119 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.949 MB LDB: TIME 8068.18 LOAD: AVG 0.118381 MAX 0.206119 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.949 MB LDB: TIME 8068.18 LOAD: AVG 0.118381 MAX 0.206119 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8068.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8068.19 PRESSURE: 2704400 -59.8665 64.9223 49.4185 64.9227 -42.8021 36.6538 49.4183 36.654 201.086 GPRESSURE: 2704400 14.2139 71.8106 -44.3422 138.769 -54.1053 -10.7385 41.9524 -8.79938 222.009 PRESSAVG: 2704400 25.4387 28.4322 9.46485 28.4322 -3.73953 12.5249 9.46474 12.5249 62.7752 GPRESSAVG: 2704400 25.2002 30.5209 9.11082 27.3315 -3.30763 12.3908 9.82642 12.5242 62.5758 TIMING: 2704400 CPU: 8064.94, 0.00301507/step Wall: 8064.94, 0.00301507/step, 1.92261 hours remaining, 206.390625 MB of memory in use. ENERGY: 2704400 708.6933 2138.7588 1936.1361 97.3433 -206125.8578 17927.9053 0.0000 0.0000 34188.0091 -149129.0119 298.5724 -183317.0210 -149029.7026 299.8197 32.8057 60.7057 559082.0331 28.1581 28.1561 PRESSURE: 2704600 -151.675 -100.567 95.2933 -100.567 34.9072 -19.9225 95.294 -19.922 143.683 GPRESSURE: 2704600 -102.592 12.4602 87.3482 -178.838 49.6264 -37.7776 0.651901 12.8747 179.736 PRESSAVG: 2704600 58.7622 12.505 43.6822 12.5049 8.21547 34.6289 43.6821 34.6289 -44.4808 GPRESSAVG: 2704600 60.3581 11.4246 43.7558 14.0558 6.57236 35.5474 42.2228 35.9895 -44.4102 TIMING: 2704600 CPU: 8065.53, 0.00298983/step Wall: 8065.53, 0.00298983/step, 1.90635 hours remaining, 206.390625 MB of memory in use. ENERGY: 2704600 750.6752 2119.8144 1896.8329 119.2071 -206112.1034 17741.9857 0.0000 0.0000 34406.5614 -149077.0267 300.4811 -183483.5881 -148977.1425 300.2307 8.9719 42.2567 557634.7588 7.4990 7.5067 PRESSURE: 2704800 -52.1336 75.8467 -163.079 75.8476 -239.559 -95.6138 -163.079 -95.6151 -269.254 GPRESSURE: 2704800 -48.9133 112.982 -157.409 10.6329 -207.257 -66.1535 -171.245 -203.355 -204.062 PRESSAVG: 2704800 4.49287 18.9969 -4.88361 18.9968 12.909 -26.7291 -4.8836 -26.7292 -43.1061 GPRESSAVG: 2704800 3.68091 20.9474 -3.8362 17.3157 13.6915 -28.2897 -5.18574 -27.9958 -42.9913 TIMING: 2704800 CPU: 8066.13, 0.002968/step Wall: 8066.13, 0.002968/step, 1.89226 hours remaining, 206.390625 MB of memory in use. ENERGY: 2704800 774.8950 2039.7930 1926.6756 99.2158 -205706.1468 17625.0950 0.0000 0.0000 34077.8308 -149162.6416 297.6102 -183240.4724 -149064.5487 299.7509 -186.9822 -153.4109 557943.1323 -8.5681 -8.5396 PRESSURE: 2705000 -59.9468 -49.6397 0.244224 -49.6392 -126.174 -9.6066 0.244941 -9.60518 -101.759 GPRESSURE: 2705000 -75.0488 -22.7782 41.3095 -71.6367 -115.959 -39.4533 -30.5533 10.1435 -3.2473 PRESSAVG: 2705000 38.9853 -6.14881 -5.34547 -6.14887 -7.83241 3.17467 -5.34537 3.17467 -51.1218 GPRESSAVG: 2705000 37.1479 -8.93429 -4.36601 -2.22611 -6.37087 3.09843 -4.35808 3.9559 -50.1868 TIMING: 2705000 CPU: 8066.72, 0.00294412/step Wall: 8066.72, 0.00294412/step, 1.87688 hours remaining, 206.390625 MB of memory in use. ENERGY: 2705000 772.2112 2068.6806 1955.7065 113.5176 -206277.0636 17806.3762 0.0000 0.0000 34286.1972 -149274.3741 299.4299 -183560.5713 -149178.6016 299.6916 -95.9600 -64.7518 559374.9771 -6.6563 -6.4699 PRESSURE: 2705200 -13.0038 32.0037 90.0634 32.0036 -150.818 60.3189 90.0642 60.3219 -63.809 GPRESSURE: 2705200 20.2879 61.1891 59.0344 87.4754 -113.759 63.0281 87.3368 24.1419 -41.4988 PRESSAVG: 2705200 41.6004 -38.7522 7.6242 -38.7521 -54.8599 17.2623 7.6242 17.2623 0.989081 GPRESSAVG: 2705200 42.8503 -39.3023 5.97649 -38.3801 -54.6434 19.0202 8.96063 15.8561 -0.486428 TIMING: 2705200 CPU: 8067.31, 0.00295784/step Wall: 8067.31, 0.00295784/step, 1.88546 hours remaining, 206.390625 MB of memory in use. ENERGY: 2705200 747.0408 2100.2039 1945.4284 108.7429 -206116.5172 17712.1443 0.0000 0.0000 34122.7753 -149380.1817 298.0027 -183502.9569 -149287.0291 298.7173 -75.8770 -44.9901 558270.8032 -4.0901 -4.0932 PRESSURE: 2705400 -14.503 230.128 -105.683 230.129 -25.826 41.4356 -105.682 41.4363 -94.4255 GPRESSURE: 2705400 59.501 219.51 -143.619 219.476 -47.6638 104.288 -79.006 -28.5761 -38.2119 PRESSAVG: 2705400 60.3731 -44.2657 -22.0402 -44.2658 -9.6838 32.0534 -22.0402 32.0535 -52.2494 GPRESSAVG: 2705400 60.3257 -41.5595 -22.4335 -47.4504 -10.0331 31.1424 -23.281 31.9692 -52.2059 TIMING: 2705400 CPU: 8067.9, 0.00297082/step Wall: 8067.9, 0.00297082/step, 1.89357 hours remaining, 206.390625 MB of memory in use. ENERGY: 2705400 738.0281 2096.4262 1927.4447 112.6391 -206256.2875 17823.8788 0.0000 0.0000 34222.6008 -149335.2697 298.8745 -183557.8705 -149236.8522 299.0457 -44.9182 -8.7916 558898.0727 -0.5200 -0.6378 PRESSURE: 2705600 -6.57402 -83.6651 32.3092 -83.6662 -414.366 -13.7149 32.3081 -13.7154 -133.259 GPRESSURE: 2705600 22.7854 -72.2933 -26.79 -134.033 -410.89 -63.7071 75.7931 50.8494 -68.7907 PRESSAVG: 2705600 26.3021 -0.408954 -12.1152 -0.408852 -35.2496 -2.51655 -12.1152 -2.51655 62.3304 GPRESSAVG: 2705600 25.6905 -2.72887 -11.4782 -1.21053 -34.9402 -4.23128 -12.4003 -0.303169 62.4204 TIMING: 2705600 CPU: 8068.49, 0.00295035/step Wall: 8068.49, 0.00295035/step, 1.88036 hours remaining, 206.390625 MB of memory in use. ENERGY: 2705600 769.8578 2061.9188 1954.0946 107.8215 -205807.0244 17530.8417 0.0000 0.0000 34143.3901 -149239.0999 298.1827 -183382.4900 -149150.3038 298.8725 -184.7328 -152.2984 559211.9703 17.7943 17.7236 PRESSURE: 2705800 -106.419 -90.9662 62.5041 -90.9679 -78.5199 153.1 62.5055 153.1 -254.798 GPRESSURE: 2705800 -133.264 -29.4002 21.5829 -96.7319 -5.09168 95.0446 56.4362 190.409 -212.441 PRESSAVG: 2705800 38.2299 28.4677 17.4107 28.4678 -53.1126 -14.6111 17.4107 -14.6111 -35.7213 GPRESSAVG: 2705800 38.7817 30.3767 17.2875 28.0359 -53.6702 -13.2158 17.9689 -14.2418 -35.9125 TIMING: 2705800 CPU: 8069.08, 0.00295283/step Wall: 8069.08, 0.00295283/step, 1.88177 hours remaining, 206.390625 MB of memory in use. ENERGY: 2705800 780.1046 2109.9764 1945.0657 125.2116 -205708.0546 17488.4294 0.0000 0.0000 34150.6260 -149108.6408 298.2459 -183259.2669 -149007.1437 299.3558 -146.5788 -116.9320 559029.2842 -16.8680 -16.9337 PRESSURE: 2706000 -477.334 -23.8103 -64.9917 -23.8118 -139.742 -0.148159 -64.9928 -0.145345 -80.0333 GPRESSURE: 2706000 -478.656 -63.6465 -49.9238 -64.0551 -70.7882 29.4418 -123.18 -20.2638 -62.7627 PRESSAVG: 2706000 16.7929 -31.4231 -20.8323 -31.423 0.483074 9.97163 -20.8323 9.97163 -23.6275 GPRESSAVG: 2706000 16.283 -31.0676 -19.0214 -29.3014 0.339439 10.2752 -21.7065 8.17993 -23.2142 TIMING: 2706000 CPU: 8069.67, 0.00295659/step Wall: 8069.67, 0.00295659/step, 1.884 hours remaining, 206.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2706000 757.7177 2106.4589 1940.7482 109.8095 -205745.7976 17395.6185 0.0000 0.0000 34166.2128 -149269.2321 298.3820 -183435.4448 -149170.6342 299.6071 -232.3699 -204.0689 557818.8751 -2.1172 -2.1973 PRESSURE: 2706200 -166.094 166.751 -203.955 166.751 -31.225 75.6665 -203.956 75.6667 -434.641 GPRESSURE: 2706200 -103.141 202.124 -216.007 80.5506 -50.5858 17.0177 -171.3 62.8867 -377.725 PRESSAVG: 2706200 -9.45528 58.927 -46.6204 58.927 38.1379 14.347 -46.6203 14.347 -22.3884 GPRESSAVG: 2706200 -10.02 55.2065 -48.5271 59.8945 38.1505 12.0948 -45.0521 14.4547 -21.8833 TIMING: 2706200 CPU: 8070.27, 0.00297002/step Wall: 8070.27, 0.00297002/step, 1.8924 hours remaining, 206.390625 MB of memory in use. ENERGY: 2706200 774.7921 2080.1320 1934.8886 113.2305 -206142.4736 17642.2725 0.0000 0.0000 34230.1407 -149367.0172 298.9403 -183597.1579 -149270.9041 299.4080 -210.6534 -177.1505 558039.9508 2.0981 2.0824 PRESSURE: 2706400 271.412 -15.1018 75.6608 -15.1006 225.671 126.133 75.6608 126.133 -47.6201 GPRESSURE: 2706400 261.655 86.1035 67.0818 -75.8778 276.428 208.348 46.9613 75.8561 11.4009 PRESSAVG: 2706400 55.0541 34.3529 -68.4574 34.3529 -2.57004 7.55918 -68.4574 7.55921 -53.5059 GPRESSAVG: 2706400 56.9961 36.3411 -67.0184 32.0945 -2.7722 10.7737 -70.7577 4.84703 -54.7984 TIMING: 2706400 CPU: 8070.86, 0.0029747/step Wall: 8070.86, 0.0029747/step, 1.89521 hours remaining, 206.390625 MB of memory in use. ENERGY: 2706400 746.4650 2053.2243 1953.6046 119.9788 -206389.9510 17984.4553 0.0000 0.0000 34275.3387 -149256.8842 299.3351 -183532.2229 -149166.2951 299.5207 149.8213 183.1613 556718.2403 -0.3406 -0.1915 PRESSURE: 2706600 -83.4537 -77.8676 -41.5037 -77.8673 159.915 64.5937 -41.5036 64.5946 166.02 GPRESSURE: 2706600 -37.7023 -88.2405 -157.195 -87.2985 209.409 88.0712 -57.0056 49.444 169.01 PRESSAVG: 2706600 -13.4594 -12.1802 -20.1405 -12.1802 -2.54176 79.969 -20.1406 79.969 12.7422 GPRESSAVG: 2706600 -13.9574 -12.5745 -20.9518 -10.3587 -2.41721 78.1645 -19.4009 82.7194 13.019 TIMING: 2706600 CPU: 8071.46, 0.00298322/step Wall: 8071.46, 0.00298322/step, 1.90048 hours remaining, 206.390625 MB of memory in use. ENERGY: 2706600 730.5246 2140.1812 1954.1099 100.2352 -206331.7027 17849.1229 0.0000 0.0000 34390.9688 -149166.5600 300.3449 -183557.5288 -149077.0373 299.4480 80.8272 113.5720 555084.0951 -1.0863 -1.1185 PRESSURE: 2706800 384.158 -166.386 104.126 -166.386 -113.567 -20.4737 104.127 -20.4734 73.6383 GPRESSURE: 2706800 439.034 -121.861 180.927 -206.87 -72.4314 -17.1932 70.1274 26.8763 79.0002 PRESSAVG: 2706800 -47.2673 -44.696 66.4816 -44.6961 60.7207 12.8635 66.4816 12.8634 41.7971 GPRESSAVG: 2706800 -46.2149 -44.0532 67.6373 -44.9583 59.8128 11.6789 67.2226 11.6229 41.424 TIMING: 2706800 CPU: 8072.05, 0.00294351/step Wall: 8072.05, 0.00294351/step, 1.87501 hours remaining, 206.390625 MB of memory in use. ENERGY: 2706800 736.0330 2065.0122 1940.0608 118.7618 -205890.6811 17812.8372 0.0000 0.0000 34158.9470 -149059.0290 298.3186 -183217.9760 -148966.4096 300.2056 114.7430 148.5342 557043.6968 18.4168 18.3407 PRESSURE: 2707000 -16.2501 -51.9967 -26.4477 -51.9965 -215.217 21.9781 -26.448 21.9771 -88.0886 GPRESSURE: 2707000 16.4862 -90.9556 -6.25855 -86.7635 -159.841 -63.2142 -63.4012 58.2575 -66.8548 PRESSAVG: 2707000 -33.5965 -33.6323 9.79179 -33.6324 -19.2207 26.2157 9.79183 26.2157 46.2679 GPRESSAVG: 2707000 -34.3985 -35.651 8.41999 -34.4599 -17.8085 27.636 9.48543 27.692 45.6464 TIMING: 2707000 CPU: 8072.64, 0.00294217/step Wall: 8072.64, 0.00294217/step, 1.874 hours remaining, 206.390625 MB of memory in use. ENERGY: 2707000 764.9876 2056.1040 1909.9269 112.8103 -205696.5825 17625.4619 0.0000 0.0000 34197.8562 -149029.4356 298.6584 -183227.2918 -148934.4393 299.1460 -106.5186 -70.0699 558263.8402 -2.1831 -2.1869 PRESSURE: 2707200 -22.6489 -57.9303 171.85 -57.9314 -232.727 50.0878 171.849 50.0887 10.6797 GPRESSURE: 2707200 8.844 24.0722 145.685 -119.238 -205.518 75.9164 232.815 118.628 35.6475 PRESSAVG: 2707200 -14.4308 10.5343 12.5314 10.5343 -8.11988 4.70292 12.5314 4.70288 -3.91937 GPRESSAVG: 2707200 -15.2476 14.7842 13.7571 12.5933 -8.51402 5.76373 11.8571 3.92227 -2.75722 TIMING: 2707200 CPU: 8073.23, 0.00294797/step Wall: 8073.23, 0.00294797/step, 1.87753 hours remaining, 206.390625 MB of memory in use. ENERGY: 2707200 783.1761 2015.4547 1969.9805 113.5024 -205917.9946 17720.8272 0.0000 0.0000 34236.5857 -149078.4681 298.9966 -183315.0538 -148977.7254 299.8405 -81.5653 -53.6755 558089.4388 -8.8233 -8.8396 PRESSURE: 2707400 -263.535 116.72 -178.109 116.72 -130.475 1.16638 -178.109 1.16772 -98.8378 GPRESSURE: 2707400 -255.283 50.2844 -179.68 103.834 -86.2608 64.438 -149.455 -91.7342 -63.11 PRESSAVG: 2707400 -33.8395 13.5402 5.27212 13.5403 -20.5483 -17.0896 5.27218 -17.0896 61.3557 GPRESSAVG: 2707400 -34.1752 10.1745 3.40821 11.2866 -20.1587 -17.3302 4.45237 -17.3509 61.4976 TIMING: 2707400 CPU: 8073.82, 0.00295969/step Wall: 8073.82, 0.00295969/step, 1.88483 hours remaining, 206.390625 MB of memory in use. ENERGY: 2707400 761.4555 2103.8571 1917.1657 117.6728 -205903.2941 17634.8096 0.0000 0.0000 34252.1904 -149116.1431 299.1329 -183368.3334 -149015.1735 299.3024 -164.2826 -134.8846 558957.0495 2.3227 2.3879 PRESSURE: 2707600 -22.2551 -85.1963 68.5462 -85.1963 -5.68575 -27.0163 68.5452 -27.0178 86.9305 GPRESSURE: 2707600 4.81394 -81.1122 78.5405 -56.9768 35.6386 -96.7346 115.135 -34.8403 107.83 PRESSAVG: 2707600 -69.7798 17.7268 32.3089 17.7268 44.1651 -5.93448 32.3089 -5.93434 13.4568 GPRESSAVG: 2707600 -70.1853 17.0461 32.6603 19.1718 44.4278 -7.28817 34.4034 -5.83749 13.6706 TIMING: 2707600 CPU: 8074.42, 0.00298254/step Wall: 8074.42, 0.00298254/step, 1.89921 hours remaining, 206.390625 MB of memory in use. ENERGY: 2707600 751.1318 2090.6955 1938.3574 110.3845 -206008.6662 17660.0787 0.0000 0.0000 34247.4295 -149210.5887 299.0913 -183458.0182 -149118.3840 299.4446 19.6632 49.4275 556801.7653 -4.0526 -4.0290 PRESSURE: 2707800 -291.415 -4.6613 -107.474 -4.66201 121.908 -104.644 -107.474 -104.645 64.4405 GPRESSURE: 2707800 -261.315 -31.5344 -86.4773 -48.4904 152.754 -123.05 -114.387 -53.5375 100.129 PRESSAVG: 2707800 -52.7254 16.2889 11.7338 16.289 45.6952 29.91 11.7338 29.9101 16.5857 GPRESSAVG: 2707800 -51.3207 18.1638 11.0585 14.9935 45.5974 32.0033 11.6573 28.8622 15.4216 TIMING: 2707800 CPU: 8075.01, 0.0029688/step Wall: 8075.01, 0.0029688/step, 1.8903 hours remaining, 206.390625 MB of memory in use. ENERGY: 2707800 747.9806 2060.4123 1940.2363 114.9995 -206082.0535 17760.2075 0.0000 0.0000 34178.0745 -149280.1427 298.4856 -183458.2173 -149193.2381 299.2172 -35.0224 -2.8105 557021.4937 3.1852 3.2328 PRESSURE: 2708000 -148.889 68.7089 39.3879 68.7084 217.813 -183.04 39.3882 -183.039 80.4292 GPRESSURE: 2708000 -116.444 -0.645526 68.6346 145.565 248.61 -224.873 30.4104 -175.775 103.569 PRESSAVG: 2708000 -43.2076 -26.017 -37.6465 -26.017 -28.8203 4.00876 -37.6464 4.0087 14.8522 GPRESSAVG: 2708000 -43.7172 -26.283 -36.9112 -24.6345 -27.6428 3.95395 -39.9121 4.81942 14.3702 TIMING: 2708000 CPU: 8075.6, 0.00297603/step Wall: 8075.6, 0.00297604/step, 1.89474 hours remaining, 206.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2708000 749.4700 2038.0987 1933.2653 105.6191 -206330.4656 17852.5572 0.0000 0.0000 34289.5995 -149361.8558 299.4596 -183651.4554 -149267.1457 298.5423 49.7843 78.5784 557022.7336 -19.0586 -18.9966 PRESSURE: 2708200 -194.988 27.0338 116.649 27.0347 -82.94 -167.355 116.651 -167.354 126.749 GPRESSURE: 2708200 -197.794 61.4032 120.906 -8.75919 -21.5447 -143.311 86.7823 -64.726 166.246 PRESSAVG: 2708200 -12.3242 29.4894 -7.9303 29.4894 55.4237 -53.0521 -7.93029 -53.0521 -22.0236 GPRESSAVG: 2708200 -12.5049 28.8787 -7.11836 28.3519 54.2606 -53.0912 -7.01231 -54.1522 -20.9558 TIMING: 2708200 CPU: 8076.2, 0.00296182/step Wall: 8076.2, 0.00296182/step, 1.88553 hours remaining, 206.390625 MB of memory in use. ENERGY: 2708200 723.7484 2121.8954 1932.9238 127.2573 -206319.0948 17782.3518 0.0000 0.0000 34388.3955 -149242.5226 300.3224 -183630.9182 -149152.8706 299.0120 -50.3930 -17.6975 556923.2817 7.0253 6.9333 LDB: ============= START OF LOAD BALANCING ============== 8079.74 LDB: ============== END OF LOAD BALANCING =============== 8079.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8079.75 LDB: ============= START OF LOAD BALANCING ============== 8080.04 LDB: Largest compute 4773 load 0.027252 is 23.0% of average load 0.118288 LDB: Average compute 0.001746 is 1.5% of average load 0.118288 LDB: TIME 8080.04 LOAD: AVG 0.118288 MAX 0.206399 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.09 MB LDB: TIME 8080.04 LOAD: AVG 0.118288 MAX 0.206399 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.328 MB LDB: TIME 8080.04 LOAD: AVG 0.118288 MAX 0.206399 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.328 MB LDB: ============== END OF LOAD BALANCING =============== 8080.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8080.05 PRESSURE: 2708400 -127.431 -60.1495 -81.0781 -60.1481 -128.207 -90.6303 -81.0798 -90.6305 194.723 GPRESSURE: 2708400 -92.5217 0.145748 -175.044 -6.58552 -104.954 -89.5934 -5.53307 -72.957 231.313 PRESSAVG: 2708400 -37.9912 -10.287 16.4658 -10.287 8.39427 26.4586 16.4659 26.4586 14.5714 GPRESSAVG: 2708400 -37.1648 -11.0866 14.4677 -11.3116 7.79265 27.2279 17.8703 27.6123 14.4123 TIMING: 2708400 CPU: 8076.8, 0.00302011/step Wall: 8076.8, 0.00302011/step, 1.92247 hours remaining, 208.054688 MB of memory in use. ENERGY: 2708400 739.5846 2090.2344 1942.1108 116.3919 -206031.8219 17687.0325 0.0000 0.0000 34375.1564 -149081.3113 300.2068 -183456.4677 -148989.1394 298.2976 -20.3050 11.2790 558091.1878 -5.0085 -4.9866 PRESSURE: 2708600 -120.658 -42.8704 115.118 -42.8702 -39.5751 63.5652 115.118 63.5654 -117.976 GPRESSURE: 2708600 -44.8261 41.123 117.679 -153.106 -7.35805 -4.00692 83.9667 74.3987 -127.703 PRESSAVG: 2708600 -47.8058 24.0092 16.9459 24.0092 25.5787 -65.0146 16.9459 -65.0146 35.0305 GPRESSAVG: 2708600 -48.3101 23.9941 19.4377 24.7278 26.3561 -65.8891 14.7889 -66.8763 35.1407 TIMING: 2708600 CPU: 8077.4, 0.00297191/step Wall: 8077.4, 0.00297191/step, 1.89162 hours remaining, 208.253906 MB of memory in use. ENERGY: 2708600 734.6381 2075.9572 1976.3110 103.0228 -205584.5589 17420.2495 0.0000 0.0000 34130.8219 -149143.5584 298.0730 -183274.3804 -149049.2973 300.2834 -92.7361 -59.9623 557622.9045 4.2678 4.3956 PRESSURE: 2708800 -324.249 28.1155 -35.6458 28.1153 -183.23 17.0592 -35.6466 17.0606 -152.384 GPRESSURE: 2708800 -351.672 -40.5549 -44.9478 103.049 -108.388 -46.9391 -0.282526 17.5288 -93.0636 PRESSAVG: 2708800 -65.1138 63.1736 17.1229 63.1735 38.8507 22.8838 17.1228 22.8839 -2.89869 GPRESSAVG: 2708800 -65.0187 63.8523 17.7883 63.178 38.4161 21.4421 17.7481 23.6412 -3.07552 TIMING: 2708800 CPU: 8077.99, 0.00295242/step Wall: 8077.99, 0.00295242/step, 1.87905 hours remaining, 208.253906 MB of memory in use. ENERGY: 2708800 777.9930 2087.6808 1918.5858 113.5723 -205658.5520 17316.3983 0.0000 0.0000 34317.2951 -149127.0267 299.7015 -183444.3218 -149021.1873 299.8939 -219.9541 -184.3743 556618.3683 -9.7206 -9.8927 PRESSURE: 2709000 29.5233 -43.1366 231.773 -43.1371 -41.4662 103.674 231.773 103.674 29.2176 GPRESSURE: 2709000 19.887 -34.7931 183.188 -3.98809 -2.72249 72.6203 234.918 100.877 89.55 PRESSAVG: 2709000 -28.6577 52.2071 -5.36016 52.2071 48.1302 -14.614 -5.36014 -14.6139 -30.4163 GPRESSAVG: 2709000 -28.2309 51.4311 -6.4729 51.4163 48.2198 -13.8104 -5.47344 -14.1135 -30.6939 TIMING: 2709000 CPU: 8078.58, 0.00297243/step Wall: 8078.58, 0.00297243/step, 1.89162 hours remaining, 208.253906 MB of memory in use. ENERGY: 2709000 736.9749 2123.1824 1936.5731 115.2055 -206143.6262 17720.7872 0.0000 0.0000 34254.8217 -149256.0814 299.1559 -183510.9030 -149158.8377 299.2560 5.7582 35.5715 555413.5499 -3.6480 -3.5684 PRESSURE: 2709200 -220.995 -56.0999 187.274 -56.0997 213.806 -76.8374 187.273 -76.8378 74.3731 GPRESSURE: 2709200 -205.019 -22.3554 212.689 -22.5098 276.475 -88.534 117.123 81.0089 92.6732 PRESSAVG: 2709200 -68.8697 10.3638 37.5579 10.3638 31.6101 46.4295 37.5579 46.4294 -10.2533 GPRESSAVG: 2709200 -70.095 9.88271 37.4779 12.1745 31.339 45.382 37.8606 48.0853 -8.86604 TIMING: 2709200 CPU: 8079.18, 0.0029991/step Wall: 8079.18, 0.0029991/step, 1.90842 hours remaining, 208.253906 MB of memory in use. ENERGY: 2709200 736.2990 2079.7563 1943.1132 112.1183 -206410.8692 17712.5113 0.0000 0.0000 34471.1588 -149355.9123 301.0452 -183827.0711 -149257.5704 299.3304 22.3947 54.7097 555063.0260 -15.8376 -15.8740 PRESSURE: 2709400 -102.702 180.588 102.062 180.587 163.2 -4.1548 102.062 -4.15374 215.617 GPRESSURE: 2709400 3.63536 176.09 140.39 170.964 226.344 66.505 123.855 22.6639 148.344 PRESSAVG: 2709400 4.19037 28.5628 -48.4946 28.5627 -6.94859 -18.6779 -48.4948 -18.678 -5.05475 GPRESSAVG: 2709400 5.54739 29.3376 -49.5258 27.4961 -6.23767 -16.0282 -47.3832 -21.1445 -7.16124 TIMING: 2709400 CPU: 8079.78, 0.00298419/step Wall: 8079.78, 0.00298419/step, 1.89877 hours remaining, 208.253906 MB of memory in use. ENERGY: 2709400 765.1182 2106.9712 1910.0319 123.4675 -206590.7215 18041.9465 0.0000 0.0000 34286.2253 -149356.9609 299.4301 -183643.1861 -149260.6392 299.8351 92.0385 126.1079 556038.7248 -2.6043 -2.6172 PRESSURE: 2709600 -44.9529 -133.435 74.5955 -133.435 23.8531 209.898 74.5943 209.897 -387.585 GPRESSURE: 2709600 -35.6248 -90.8912 -26.6631 -112.851 103.34 180.903 128.336 216.593 -369.123 PRESSAVG: 2709600 -16.649 33.8485 19.802 33.8484 -20.5873 -22.3957 19.802 -22.3956 -19.2698 GPRESSAVG: 2709600 -16.5799 32.7488 21.3617 34.9823 -21.3211 -24.3164 18.3494 -20.6434 -18.6052 TIMING: 2709600 CPU: 8080.37, 0.0029761/step Wall: 8080.37, 0.0029761/step, 1.89346 hours remaining, 208.253906 MB of memory in use. ENERGY: 2709600 775.1397 2097.5488 1927.8339 105.3530 -205863.3513 17558.3961 0.0000 0.0000 34108.2940 -149290.7859 297.8762 -183399.0799 -149195.7318 298.3662 -136.2283 -100.4692 557269.6993 -18.8353 -18.8354 PRESSURE: 2709800 -149.707 6.88627 14.4671 6.88577 7.4258 -51.9335 14.4672 -51.9354 -323.801 GPRESSURE: 2709800 -54.4925 -8.72637 58.0235 -43.334 31.3002 -115.683 -54.7493 41.8528 -335.78 PRESSAVG: 2709800 47.3891 -20.8222 7.79599 -20.8222 22.0065 -29.9957 7.79601 -29.9956 -53.7346 GPRESSAVG: 2709800 46.5761 -18.3569 6.66054 -22.5614 23.0389 -30.5872 8.00375 -31.4285 -53.7351 TIMING: 2709800 CPU: 8080.97, 0.00297657/step Wall: 8080.97, 0.00297657/step, 1.89359 hours remaining, 208.253906 MB of memory in use. ENERGY: 2709800 765.5812 2079.3562 1933.7062 104.0290 -205869.5834 17491.2597 0.0000 0.0000 34345.7733 -149149.8779 299.9502 -183495.6512 -149051.0526 299.7623 -155.3609 -119.6575 557910.6179 5.2203 5.2933 PRESSURE: 2710000 -80.9676 66.1556 -44.2966 66.1541 -20.2581 -98.4817 -44.297 -98.481 -293.646 GPRESSURE: 2710000 -77.6115 151.066 -19.6391 26.9968 21.5539 -128.364 -0.446593 -97.1237 -249.748 PRESSAVG: 2710000 -21.5104 24.7407 -36.0549 24.7407 28.8936 -31.1249 -36.0548 -31.1249 -52.4724 GPRESSAVG: 2710000 -21.7122 23.4308 -36.8822 24.1866 28.3511 -29.8424 -36.5736 -31.3221 -51.8331 TIMING: 2710000 CPU: 8081.57, 0.00299464/step Wall: 8081.57, 0.00299464/step, 1.90492 hours remaining, 208.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2710000 760.6196 2126.4160 1923.6232 126.3646 -206035.9804 17617.7276 0.0000 0.0000 34298.3708 -149182.8586 299.5362 -183481.2294 -149085.5701 300.1359 -131.6239 -101.9352 557599.2633 -15.0297 -15.0647 PRESSURE: 2710200 -294.297 5.86093 73.5297 5.86146 43.3565 -71.1161 73.5297 -71.1156 227.803 GPRESSURE: 2710200 -251.371 78.255 100.633 -8.58807 59.9846 -164.643 68.585 -53.5505 257.446 PRESSAVG: 2710200 31.4428 -13.3547 6.17206 -13.3548 6.33887 -41.7102 6.17205 -41.7101 -30.5026 GPRESSAVG: 2710200 31.5017 -12.2102 6.39302 -12.3644 6.67897 -42.8871 7.73922 -42.1149 -30.1436 TIMING: 2710200 CPU: 8082.16, 0.00299244/step Wall: 8082.16, 0.00299244/step, 1.90336 hours remaining, 208.253906 MB of memory in use. ENERGY: 2710200 801.8403 2119.7448 1932.2083 102.6637 -206472.3702 17925.8339 0.0000 0.0000 34210.1080 -149379.9711 298.7654 -183590.0791 -149290.2475 299.3710 -7.7125 22.0198 556259.6996 2.4263 2.6790 PRESSURE: 2710400 -43.8514 127.578 170.766 127.578 332.165 -34.1668 170.766 -34.1661 289.225 GPRESSURE: 2710400 35.3696 5.09257 153.518 114.37 331.429 8.2164 125.364 18.2877 306.378 PRESSAVG: 2710400 -62.9155 19.9836 65.9421 19.9835 5.77347 -47.0204 65.9422 -47.0205 27.8228 GPRESSAVG: 2710400 -63.1102 18.0857 65.572 21.5076 5.46627 -45.6374 66.2239 -45.119 27.8744 TIMING: 2710400 CPU: 8082.76, 0.00299359/step Wall: 8082.76, 0.00299359/step, 1.90392 hours remaining, 208.253906 MB of memory in use. ENERGY: 2710400 747.6189 2061.2691 1948.9354 110.7197 -206615.9289 18055.8288 0.0000 0.0000 34356.1089 -149335.4481 300.0404 -183691.5570 -149240.1751 299.4955 192.5127 224.3920 555910.1814 -9.7731 -9.9232 PRESSURE: 2710600 -241.461 -28.695 53.5556 -28.6929 71.6325 104.743 53.5562 104.744 36.748 GPRESSURE: 2710600 -216.838 -125.088 49.5801 11.7233 105.155 143.453 9.84825 59.8148 72.1457 PRESSAVG: 2710600 -4.14691 -25.3632 41.4684 -25.3632 -13.4331 -0.00749004 41.4684 -0.00738867 56.5528 GPRESSAVG: 2710600 -2.92158 -25.234 43.7503 -26.4146 -13.2193 -1.5679 37.8883 -1.37956 55.132 TIMING: 2710600 CPU: 8083.36, 0.00299675/step Wall: 8083.36, 0.00299675/step, 1.90577 hours remaining, 208.253906 MB of memory in use. ENERGY: 2710600 745.0757 2118.8195 1918.8635 102.4466 -206143.0263 17682.8064 0.0000 0.0000 34258.1630 -149316.8516 299.1851 -183575.0146 -149221.3968 299.2347 -44.3603 -13.1789 557727.4284 12.9909 12.9970 PRESSURE: 2710800 -358.551 -17.8327 -9.63583 -17.8317 -100.382 -29.3616 -9.63493 -29.3629 1.01985 GPRESSURE: 2710800 -307.236 -48.7465 81.5949 -51.5731 -110.998 -57.1575 -8.63005 39.9326 62.0217 PRESSAVG: 2710800 13.8082 17.0943 6.25155 17.0944 31.2781 5.00554 6.25157 5.00553 -54.7264 GPRESSAVG: 2710800 12.8781 18.2282 5.41825 16.5792 32.0417 4.22676 8.44786 5.10116 -54.4552 TIMING: 2710800 CPU: 8083.96, 0.00299424/step Wall: 8083.96, 0.00299424/step, 1.904 hours remaining, 208.253906 MB of memory in use. ENERGY: 2710800 764.8512 2122.5168 1946.1912 106.3679 -206059.1313 17466.4365 0.0000 0.0000 34251.5112 -149401.2565 299.1270 -183652.7678 -149301.1937 298.8917 -152.6379 -118.7372 555608.6001 -3.2134 -3.1785 PRESSURE: 2711000 -108.223 -13.4535 -11.501 -13.4538 -149.846 -10.6128 -11.5008 -10.6134 84.1767 GPRESSURE: 2711000 -41.5945 -31.4008 68.4493 -2.09695 -112.226 -15.9814 -90.0754 -45.1657 74.1973 PRESSAVG: 2711000 29.3753 47.0998 -17.6195 47.0999 0.825029 -4.2269 -17.6195 -4.22694 9.27399 GPRESSAVG: 2711000 30.6805 46.2058 -17.2467 50.6126 -0.288543 -2.56 -19.308 -4.17262 9.13062 TIMING: 2711000 CPU: 8084.56, 0.0029868/step Wall: 8084.56, 0.0029868/step, 1.89911 hours remaining, 208.253906 MB of memory in use. ENERGY: 2711000 716.9225 2042.5061 1922.5508 110.2238 -206054.4452 17571.0680 0.0000 0.0000 34206.9361 -149484.2380 298.7377 -183691.1741 -149385.2060 298.1553 -57.9641 -26.5412 556056.7479 13.1581 13.1742 PRESSURE: 2711200 -39.7685 -97.5203 12.4675 -97.52 -270.127 -28.0468 12.4661 -28.047 -98.0712 GPRESSURE: 2711200 1.4489 -47.5679 -33.6561 -1.56312 -197.257 -69.6988 -11.9382 -90.8864 -120.333 PRESSAVG: 2711200 -17.3405 3.83792 27.5501 3.83783 49.5166 -18.9136 27.5501 -18.9137 -33.088 GPRESSAVG: 2711200 -18.2566 3.59445 26.1495 4.12557 49.499 -18.9767 30.3805 -20.2284 -32.4588 TIMING: 2711200 CPU: 8085.16, 0.00300352/step Wall: 8085.16, 0.00300352/step, 1.90957 hours remaining, 208.253906 MB of memory in use. ENERGY: 2711200 766.3346 2097.3321 1922.2241 106.5287 -206220.0283 17514.8231 0.0000 0.0000 34398.3735 -149414.4123 300.4096 -183812.7858 -149323.0230 298.7439 -135.9889 -105.3803 555291.6057 -0.3040 -0.4054 PRESSURE: 2711400 -88.6468 -25.0541 69.7226 -25.0533 -36.5848 19.0876 69.724 19.0888 -232.719 GPRESSURE: 2711400 -70.7944 -25.4486 69.8603 85.0459 -7.279 78.0806 123.417 74.7507 -186.073 PRESSAVG: 2711400 33.2514 38.9167 -25.2572 38.9167 -9.66013 -11.206 -25.2572 -11.206 -29.3416 GPRESSAVG: 2711400 32.642 41.1255 -23.9645 37.0167 -9.34046 -14.4111 -27.8763 -8.57831 -28.6635 TIMING: 2711400 CPU: 8085.76, 0.00297984/step Wall: 8085.76, 0.00297984/step, 1.89435 hours remaining, 208.253906 MB of memory in use. ENERGY: 2711400 723.6643 2089.3294 1919.7662 110.7423 -206189.6557 17577.0613 0.0000 0.0000 34388.4805 -149380.6118 300.3232 -183769.0923 -149281.2745 299.0001 -119.3170 -88.0489 555407.8647 -1.9168 -1.7873 PRESSURE: 2711600 21.6256 -28.5101 89.9362 -28.5105 75.9877 220.959 89.9353 220.96 -131.996 GPRESSURE: 2711600 91.7856 -9.56925 61.1801 -141.725 70.7108 172.735 142.822 276.275 -105.8 PRESSAVG: 2711600 15.1303 -24.5023 21.5795 -24.5022 91.7431 -32.6673 21.5795 -32.6674 -118.226 GPRESSAVG: 2711600 16.0693 -27.8203 22.1836 -24.7166 91.404 -31.9778 22.6908 -33.281 -119.374 TIMING: 2711600 CPU: 8086.36, 0.00300891/step Wall: 8086.36, 0.00300891/step, 1.91266 hours remaining, 208.253906 MB of memory in use. ENERGY: 2711600 712.1215 2111.1101 1948.7829 106.1879 -206414.5138 17835.1264 0.0000 0.0000 34367.3278 -149333.8572 300.1384 -183701.1850 -149234.9534 299.0317 -11.4609 18.8987 556116.1304 -3.7842 -3.9670 PRESSURE: 2711800 -239.968 -24.4778 -190.528 -24.4775 172.383 45.1526 -190.527 45.1512 -10.9741 GPRESSURE: 2711800 -173.01 -0.388722 -312.466 17.6218 190.468 83.6256 -163.693 -3.3218 -3.11166 PRESSAVG: 2711800 -11.9482 11.957 39.4623 11.9568 47.2774 -34.2017 39.4623 -34.2018 -31.0778 GPRESSAVG: 2711800 -12.7762 15.6816 39.2638 10.4374 46.9407 -32.3702 39.3335 -34.1072 -29.8984 TIMING: 2711800 CPU: 8086.96, 0.00300374/step Wall: 8086.96, 0.00300374/step, 1.90921 hours remaining, 208.253906 MB of memory in use. ENERGY: 2711800 738.2282 2086.3808 1955.4030 110.7259 -206349.6995 17878.9986 0.0000 0.0000 34335.0026 -149244.9604 299.8561 -183579.9630 -149142.1024 299.1649 -26.1863 4.7823 557309.3852 1.4171 1.4220 PRESSURE: 2712000 -166.714 3.22652 37.7472 3.22633 -97.5802 47.4802 37.7447 47.4797 -232.712 GPRESSURE: 2712000 -127.979 38.9242 48.4958 -30.9216 -48.9652 -4.67779 24.6737 56.1096 -229.023 PRESSAVG: 2712000 -18.6396 53.0406 0.243925 53.0406 74.1328 -46.778 0.24386 -46.778 -85.4704 GPRESSAVG: 2712000 -18.4981 52.18 -0.660527 54.701 74.261 -46.4916 -0.260038 -47.694 -85.4995 TIMING: 2712000 CPU: 8087.56, 0.00299374/step Wall: 8087.56, 0.00299374/step, 1.90269 hours remaining, 208.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2712000 738.5290 2024.0191 1951.8919 113.5633 -206138.6818 17604.8175 0.0000 0.0000 34339.4602 -149366.4008 299.8950 -183705.8610 -149272.6781 299.8526 -165.6690 -135.3224 556968.0680 -9.9924 -9.9122 PRESSURE: 2712200 -190.392 -16.5781 95.2401 -16.5777 70.4382 -84.533 95.2412 -84.5325 10.9641 GPRESSURE: 2712200 -133.761 15.9498 17.3506 -60.9258 104.333 -109.833 147.291 -96.2587 2.10703 PRESSAVG: 2712200 16.8724 9.95966 17.9072 9.9597 23.5051 -34.1202 17.9073 -34.1201 -38.0308 GPRESSAVG: 2712200 16.7032 10.1893 16.0859 8.56028 24.0285 -36.3186 18.8368 -33.3472 -38.2016 TIMING: 2712200 CPU: 8088.15, 0.00298768/step Wall: 8088.15, 0.00298768/step, 1.89867 hours remaining, 208.253906 MB of memory in use. ENERGY: 2712200 780.0138 2095.5524 1921.5576 126.2012 -206750.8062 17996.1777 0.0000 0.0000 34549.9553 -149281.3483 301.7334 -183831.3036 -149186.4430 299.5600 -36.3297 -9.1070 556685.1694 0.7822 0.8434 LDB: ============= START OF LOAD BALANCING ============== 8091.7 LDB: ============== END OF LOAD BALANCING =============== 8091.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8091.71 LDB: ============= START OF LOAD BALANCING ============== 8092 LDB: Largest compute 4773 load 0.029302 is 24.8% of average load 0.118268 LDB: Average compute 0.001744 is 1.5% of average load 0.118268 LDB: TIME 8092.01 LOAD: AVG 0.118268 MAX 0.205095 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 8092.01 LOAD: AVG 0.118268 MAX 0.205095 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 8092.01 LOAD: AVG 0.118268 MAX 0.205095 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 8092.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8092.01 PRESSURE: 2712400 -222.049 -98.8153 -40.446 -98.8146 -107.794 -107.152 -40.4473 -107.153 42.459 GPRESSURE: 2712400 -156.239 -101.912 48.6941 -130.318 -44.5957 -135.006 -73.5226 -170.678 13.2707 PRESSAVG: 2712400 -5.40857 48.2367 -41.0541 48.2367 42.1907 -3.50721 -41.0541 -3.50735 -49.1457 GPRESSAVG: 2712400 -4.32495 47.79 -40.2751 50.8758 41.2653 -2.48316 -40.8076 -4.07811 -49.1838 TIMING: 2712400 CPU: 8088.76, 0.00304096/step Wall: 8088.76, 0.00304096/step, 1.93236 hours remaining, 206.085938 MB of memory in use. ENERGY: 2712400 729.2537 2045.6560 1942.6765 123.2741 -206285.3030 17713.5973 0.0000 0.0000 34302.0746 -149428.7707 299.5685 -183730.8453 -149332.4137 299.5337 -95.7946 -62.5213 556995.1169 -4.1212 -4.0812 PRESSURE: 2712600 152.077 41.3279 -67.6507 41.3277 126.202 207.715 -67.6512 207.714 23.6864 GPRESSURE: 2712600 186.876 33.5273 -38.4681 39.4145 153.934 139.954 -50.6418 221.236 57.6039 PRESSAVG: 2712600 16.4629 0.0575651 10.6763 0.0575514 -25.3561 -54.5799 10.6762 -54.58 41.3748 GPRESSAVG: 2712600 15.7939 0.618153 11.8525 -1.18217 -25.4734 -55.1915 8.6929 -54.1873 42.3888 TIMING: 2712600 CPU: 8089.36, 0.0029736/step Wall: 8089.36, 0.0029736/step, 1.88939 hours remaining, 206.085938 MB of memory in use. ENERGY: 2712600 721.4899 2093.2247 1932.0235 107.5655 -206774.4435 18123.7104 0.0000 0.0000 34493.8844 -149302.5451 301.2437 -183796.4295 -149203.8634 299.3680 100.6548 132.8045 556448.3765 10.8272 10.9031 PRESSURE: 2712800 17.3469 47.705 118.843 47.7038 33.332 2.43429 118.843 2.43489 -90.798 GPRESSURE: 2712800 51.425 -16.3427 139.038 38.6927 24.1342 59.4218 175.275 30.4361 -32.1066 PRESSAVG: 2712800 -14.2601 27.9143 43.548 27.9143 -17.4237 -19.647 43.5481 -19.647 -37.7258 GPRESSAVG: 2712800 -13.8722 26.2747 42.8325 28.4253 -16.7636 -18.0371 45.5342 -19.3699 -39.1857 TIMING: 2712800 CPU: 8089.95, 0.00296298/step Wall: 8089.95, 0.00296298/step, 1.88248 hours remaining, 206.085938 MB of memory in use. ENERGY: 2712800 767.9109 2084.0518 1956.7402 124.2968 -206335.0246 17771.3754 0.0000 0.0000 34309.0792 -149321.5703 299.6297 -183630.6496 -149227.7981 299.0701 -13.3731 14.4842 557322.1567 -23.1365 -23.2739 PRESSURE: 2713000 -262.399 -204.284 116.223 -204.285 -324.214 22.1402 116.223 22.1402 -219.347 GPRESSURE: 2713000 -186.457 -228.925 65.5308 -209.593 -320.031 -33.3824 102.558 -11.9821 -208.815 PRESSAVG: 2713000 10.9555 -62.5069 49.998 -62.5068 1.94496 1.46358 49.998 1.46373 27.2819 GPRESSAVG: 2713000 10.6322 -60.892 50.6912 -63.0445 2.17191 0.66746 48.8367 -0.484942 27.3316 TIMING: 2713000 CPU: 8090.54, 0.00293362/step Wall: 8090.54, 0.00293362/step, 1.86367 hours remaining, 206.085938 MB of memory in use. ENERGY: 2713000 720.3511 2129.1952 1926.4297 115.0137 -206030.6958 17644.0190 0.0000 0.0000 34238.6249 -149257.0622 299.0144 -183495.6872 -149159.1203 299.4748 -268.6533 -238.4345 557550.2838 13.3941 13.3785 PRESSURE: 2713200 132.448 14.7008 66.5025 14.7018 -77.1168 -58.1933 66.5031 -58.1938 233.387 GPRESSURE: 2713200 184.97 6.83662 -8.81113 -8.32501 -3.21955 -165.628 106.8 -6.47329 206.84 PRESSAVG: 2713200 30.078 -17.5548 37.5545 -17.5549 -88.6453 -17.7346 37.5545 -17.7346 19.7887 GPRESSAVG: 2713200 31.145 -19.2324 38.6797 -17.5845 -89.3799 -17.8248 36.8446 -16.7623 19.5266 TIMING: 2713200 CPU: 8091.12, 0.00292868/step Wall: 8091.12, 0.00292868/step, 1.86036 hours remaining, 206.085938 MB of memory in use. ENERGY: 2713200 724.1997 2087.6716 1953.5969 106.7646 -206619.6012 18051.9024 0.0000 0.0000 34227.4085 -149468.0575 298.9165 -183695.4660 -149373.4024 299.0441 96.2393 129.5301 557058.5732 -12.9262 -12.9028 PRESSURE: 2713400 79.8823 -83.4236 81.1394 -83.4244 -104.938 166.173 81.1395 166.174 -83.7917 GPRESSURE: 2713400 72.0471 -44.233 139.904 -81.1479 -34.076 129.946 87.1527 136.663 -53.9868 PRESSAVG: 2713400 116.051 -67.1058 68.6142 -67.1057 -54.3165 9.54804 68.6141 9.54803 -59.8722 GPRESSAVG: 2713400 115.942 -65.3048 67.2957 -67.0256 -54.6212 10.1611 71.6922 8.55873 -59.6124 TIMING: 2713400 CPU: 8091.71, 0.00295923/step Wall: 8091.71, 0.00295923/step, 1.8796 hours remaining, 206.085938 MB of memory in use. ENERGY: 2713400 752.1153 2131.3814 1955.8148 116.2807 -206640.9052 17977.7674 0.0000 0.0000 34222.0092 -149485.5364 298.8693 -183707.5456 -149393.0022 298.8582 -36.2826 -5.3386 556185.0837 0.6207 0.5695 PRESSURE: 2713600 99.6865 28.7192 -54.6103 28.7195 132.015 25.1614 -54.6103 25.1614 45.3579 GPRESSURE: 2713600 114.206 -60.4069 -54.3231 179.89 171.509 60.309 -25.6104 45.9412 82.5474 PRESSAVG: 2713600 26.4833 -13.4112 18.5672 -13.4111 -45.6066 -1.67305 18.5673 -1.6731 38.6326 GPRESSAVG: 2713600 25.2504 -17.1373 18.5108 -10.7441 -44.6881 -3.63574 18.4018 -0.248465 38.8335 TIMING: 2713600 CPU: 8092.31, 0.00298416/step Wall: 8092.31, 0.00298416/step, 1.89527 hours remaining, 206.085938 MB of memory in use. ENERGY: 2713600 758.9618 2115.7494 1961.7646 116.6549 -206183.6128 17735.1677 0.0000 0.0000 34091.1701 -149404.1443 297.7267 -183495.3144 -149319.1441 298.4337 92.3533 122.7543 556605.5208 6.5031 6.4653 PRESSURE: 2713800 54.5201 -62.2886 -58.4277 -62.2884 -132.625 32.859 -58.4277 32.8591 -101.464 GPRESSURE: 2713800 75.6145 -69.4033 -95.995 -63.7461 -127.194 -31.6462 -102.887 54.5647 -34.8172 PRESSAVG: 2713800 24.1554 -3.04946 -36.0555 -3.04958 -18.915 -22.391 -36.0554 -22.3911 -13.3253 GPRESSAVG: 2713800 24.7086 -0.825495 -35.6411 -5.05744 -18.7732 -21.0345 -36.9103 -21.2375 -14.4754 TIMING: 2713800 CPU: 8092.9, 0.00296199/step Wall: 8092.9, 0.00296199/step, 1.88103 hours remaining, 206.085938 MB of memory in use. ENERGY: 2713800 723.7729 2160.2641 1946.1288 109.0048 -206263.4681 17787.4815 0.0000 0.0000 34239.0926 -149297.7233 299.0185 -183536.8160 -149199.3843 299.3425 -59.8563 -28.7989 557563.5166 -2.6950 -2.8467 PRESSURE: 2714000 300.777 8.94919 74.983 8.94865 -288.862 105.806 74.9829 105.806 -52.9054 GPRESSURE: 2714000 301.509 37.5186 150.99 -50.1748 -214.245 185.742 84.1438 94.4642 -35.0059 PRESSAVG: 2714000 6.37672 -21.1353 -10.7374 -21.1353 -21.7382 -25.2999 -10.7375 -25.2999 37.6562 GPRESSAVG: 2714000 7.20528 -20.1254 -8.75142 -22.9252 -21.3898 -26.8923 -13.6335 -25.6669 37.0814 TIMING: 2714000 CPU: 8093.49, 0.00294539/step Wall: 8093.49, 0.00294539/step, 1.87032 hours remaining, 206.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2714000 730.4278 2054.0259 1947.1590 128.5927 -206117.3945 17697.2930 0.0000 0.0000 34182.8617 -149377.0344 298.5274 -183559.8961 -149282.2248 298.9233 -13.6634 17.4193 556876.3863 7.4316 7.6323 PRESSURE: 2714200 185.39 -2.72805 19.9269 -2.72766 -3.65369 -3.80247 19.9268 -3.80235 77.793 GPRESSURE: 2714200 277.228 98.8686 20.0391 -67.4031 -2.41188 -12.3355 39.3989 -19.5775 87.5416 PRESSAVG: 2714200 34.8835 15.1417 -10.2176 15.1416 0.938998 -11.562 -10.2176 -11.5619 -35.2512 GPRESSAVG: 2714200 34.11 14.5702 -10.4063 16.4223 -0.0158152 -9.25195 -8.93981 -14.8699 -33.9231 TIMING: 2714200 CPU: 8094.08, 0.00293618/step Wall: 8094.08, 0.00293618/step, 1.86431 hours remaining, 206.085938 MB of memory in use. ENERGY: 2714200 723.0434 2099.0350 1981.1852 121.3324 -206432.4794 17940.5486 0.0000 0.0000 34312.7175 -149254.6173 299.6615 -183567.3348 -149155.8453 299.2890 86.5099 120.7858 557209.3855 0.1904 0.0570 PRESSURE: 2714400 -63.9055 -36.1219 -266.844 -36.1229 147.177 91.3013 -266.844 91.2989 -154.75 GPRESSURE: 2714400 -15.9951 -14.3762 -303.239 -71.9395 171.247 144.709 -327.153 31.7499 -138.36 PRESSAVG: 2714400 38.6299 29.0333 -9.00572 29.0332 23.4975 -41.1776 -9.00566 -41.1776 -28.6681 GPRESSAVG: 2714400 37.9698 27.7649 -9.18202 30.1998 23.9397 -40.1502 -7.8055 -41.0097 -27.9442 TIMING: 2714400 CPU: 8094.67, 0.00294954/step Wall: 8094.67, 0.00294954/step, 1.87263 hours remaining, 206.085938 MB of memory in use. ENERGY: 2714400 723.8657 2131.5996 1923.7394 108.0221 -206087.6777 17848.0308 0.0000 0.0000 34078.2216 -149274.1985 297.6136 -183352.4200 -149182.1259 299.6235 -23.8262 5.6308 558548.8051 11.1531 11.3218 PRESSURE: 2714600 -176.558 57.0669 119.631 57.0679 -160.086 -167.792 119.632 -167.794 87.2773 GPRESSURE: 2714600 -145.778 125.638 125.263 94.9889 -104.935 -130.16 170.927 -240.252 88.0099 PRESSAVG: 2714600 -47.8858 -18.49 -35.1126 -18.4899 47.6459 -23.5436 -35.1126 -23.5436 -38.2594 GPRESSAVG: 2714600 -47.5165 -16.0474 -36.8906 -18.4704 47.4451 -24.7339 -33.4477 -21.807 -37.984 TIMING: 2714600 CPU: 8095.26, 0.00295743/step Wall: 8095.26, 0.00295743/step, 1.87747 hours remaining, 206.085938 MB of memory in use. ENERGY: 2714600 800.4071 2113.9375 1950.1283 96.7327 -206070.4861 17764.7748 0.0000 0.0000 34286.1063 -149058.3994 299.4291 -183344.5057 -148962.3399 299.1939 -83.1220 -54.2343 556649.8810 -12.8331 -12.6851 PRESSURE: 2714800 -261.472 63.6824 59.7242 63.6815 -228.006 -61.4664 59.724 -61.467 -118.031 GPRESSURE: 2714800 -205.232 82.9822 63.7758 28.719 -213.319 -56.2339 -12.5287 -90.8165 -87.5662 PRESSAVG: 2714800 6.92305 59.8893 -19.003 59.8892 21.4364 -79.6662 -19.0029 -79.6663 -3.73409 GPRESSAVG: 2714800 6.20871 59.0013 -19.0396 60.9637 21.7499 -79.0061 -19.9337 -79.847 -3.32502 TIMING: 2714800 CPU: 8095.86, 0.00298062/step Wall: 8095.86, 0.00298062/step, 1.89203 hours remaining, 206.085938 MB of memory in use. ENERGY: 2714800 763.7919 2141.3832 1977.7316 121.7468 -205723.7820 17425.4916 0.0000 0.0000 34328.0425 -148965.5944 299.7953 -183293.6369 -148871.7523 300.0317 -202.5033 -168.7057 557222.4722 8.2084 8.2112 PRESSURE: 2715000 -76.1852 -19.9671 72.6745 -19.9673 67.5182 -179.142 72.6745 -179.144 -115.026 GPRESSURE: 2715000 -51.8627 -59.0628 16.0914 -6.92647 78.9042 -151.899 52.2878 -127.376 -37.8781 PRESSAVG: 2715000 -15.9574 16.3911 3.32928 16.3909 16.1401 -9.51187 3.32928 -9.51195 17.7356 GPRESSAVG: 2715000 -14.8228 15.8765 3.17117 16.2717 15.5853 -9.8143 3.08685 -10.7585 16.8068 TIMING: 2715000 CPU: 8096.45, 0.00298307/step Wall: 8096.45, 0.00298307/step, 1.89342 hours remaining, 206.085938 MB of memory in use. ENERGY: 2715000 747.0271 2125.8352 1920.6750 96.3991 -205711.5601 17562.2276 0.0000 0.0000 34207.0417 -149052.3543 298.7386 -183259.3960 -148957.3176 300.2131 -41.2311 -3.6122 556413.2919 5.9728 5.8565 PRESSURE: 2715200 63.5585 -101.853 98.0672 -101.853 191.291 14.7822 98.0678 14.7824 110.241 GPRESSURE: 2715200 94.6681 -33.7304 153.254 -99.2201 243.252 69.651 78.4499 -67.3201 135.111 PRESSAVG: 2715200 7.12241 11.356 -14.4292 11.356 23.4906 -30.3731 -14.4292 -30.373 -88.1773 GPRESSAVG: 2715200 6.66731 12.8384 -12.2323 10.9577 23.3411 -30.1349 -13.9366 -28.6795 -87.6803 TIMING: 2715200 CPU: 8097.05, 0.00296338/step Wall: 8097.05, 0.00296338/step, 1.88076 hours remaining, 206.085938 MB of memory in use. ENERGY: 2715200 737.4575 2088.7596 1942.8556 144.1763 -206326.7832 18059.9817 0.0000 0.0000 34269.1588 -149084.3938 299.2811 -183353.5526 -148993.9061 299.2518 121.6966 157.6771 556831.5942 -19.1881 -19.2240 PRESSURE: 2715400 346.014 138.424 164.063 138.424 -17.0034 -58.5852 164.062 -58.5851 32.5593 GPRESSURE: 2715400 369.079 12.3795 143.56 126.41 -4.63531 -89.4527 194.486 2.20451 92.4928 PRESSAVG: 2715400 20.3387 -23.1827 33.88 -23.1826 14.0151 -18.4494 33.88 -18.4493 29.3841 GPRESSAVG: 2715400 20.8573 -23.7769 32.3189 -23.6544 13.7158 -19.4056 34.2021 -18.2341 29.2829 TIMING: 2715400 CPU: 8097.64, 0.00297735/step Wall: 8097.64, 0.00297735/step, 1.88946 hours remaining, 206.085938 MB of memory in use. ENERGY: 2715400 738.7715 2090.4561 1958.0943 112.6670 -205970.3400 17918.0572 0.0000 0.0000 34179.9956 -148972.2982 298.5024 -183152.2938 -148882.2717 299.0845 120.5232 152.3121 556540.6112 21.2460 21.2853 PRESSURE: 2715600 177.158 36.7655 -3.8442 36.7662 88.8117 -99.5553 -3.84424 -99.5552 171.787 GPRESSURE: 2715600 232.73 50.2306 90.2442 -18.8012 121.277 -37.945 -15.6265 -80.8045 176.684 PRESSAVG: 2715600 31.5472 -32.1001 -6.47354 -32.1 -90.3891 -17.2775 -6.4735 -17.2775 29.4529 GPRESSAVG: 2715600 30.244 -31.6227 -5.80368 -33.2122 -89.7164 -16.8489 -6.05641 -18.1056 30.3747 TIMING: 2715600 CPU: 8098.24, 0.00298514/step Wall: 8098.24, 0.00298514/step, 1.89424 hours remaining, 206.085938 MB of memory in use. ENERGY: 2715600 772.3536 2073.1857 1946.8258 116.2966 -206324.9414 18082.9720 0.0000 0.0000 34352.6802 -148980.6275 300.0105 -183333.3077 -148886.1447 299.5677 145.9190 176.8969 557150.1803 -9.7963 -9.6993 PRESSURE: 2715800 336.004 -88.121 129.464 -88.1215 -164.676 12.9578 129.465 12.9572 31.9306 GPRESSURE: 2715800 340.111 -46.72 148.847 -81.5123 -112.342 98.4674 119.498 16.0344 72.0967 PRESSAVG: 2715800 65.9947 -29.3944 54.5721 -29.3944 -49.6916 69.6784 54.572 69.6783 -13.5744 GPRESSAVG: 2715800 66.3643 -30.1889 56.4373 -27.9284 -49.6935 70.871 53.8791 69.3891 -14.2335 TIMING: 2715800 CPU: 8098.84, 0.0029856/step Wall: 8098.84, 0.0029856/step, 1.89436 hours remaining, 206.085938 MB of memory in use. ENERGY: 2715800 769.5012 2151.4748 1931.7320 112.0635 -206712.1687 18020.4532 0.0000 0.0000 34811.8160 -148915.1280 304.0202 -183726.9440 -148823.2926 300.1978 67.7530 99.9550 556996.2508 0.9096 0.8125 PRESSURE: 2716000 -136.228 -191.455 -47.5183 -191.455 -20.8978 141.253 -47.5176 141.254 -42.9446 GPRESSURE: 2716000 -111.832 -181.431 -99.3465 -187.709 2.56431 198.606 -81.9822 97.6507 2.92708 PRESSAVG: 2716000 28.8603 -24.6054 16.1381 -24.6054 6.26751 54.2488 16.1382 54.2489 -31.5807 GPRESSAVG: 2716000 28.8019 -24.1541 14.1707 -24.3519 5.29657 55.6716 13.4625 54.6351 -30.5537 TIMING: 2716000 CPU: 8099.43, 0.00298069/step Wall: 8099.43, 0.00298069/step, 1.89108 hours remaining, 206.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2716000 741.4253 2088.7639 1939.3308 115.6636 -205849.5433 17565.4530 0.0000 0.0000 34346.7694 -149052.1373 299.9589 -183398.9067 -148956.8517 300.2702 -66.6900 -35.4467 557734.3105 1.1824 1.1816 PRESSURE: 2716200 -196.265 -73.8303 212.557 -73.8291 -91.182 40.801 212.558 40.8016 -135.415 GPRESSURE: 2716200 -167.639 -95.476 163.947 -97.6008 -69.2677 23.2278 221.365 -21.1485 -92.8459 PRESSAVG: 2716200 25.4007 -23.0942 -10.5408 -23.0941 32.9708 35.4649 -10.5408 35.465 -18.5814 GPRESSAVG: 2716200 26.1425 -23.3504 -10.8671 -22.8608 33.2994 33.3208 -9.04261 35.0835 -19.7093 TIMING: 2716200 CPU: 8100.03, 0.00298063/step Wall: 8100.03, 0.00298063/step, 1.89088 hours remaining, 206.085938 MB of memory in use. ENERGY: 2716200 718.9007 2094.6989 1957.2005 102.7698 -205767.3214 17500.3440 0.0000 0.0000 34469.4263 -148923.9812 301.0301 -183393.4075 -148827.0642 299.9234 -140.9538 -109.9175 557454.2153 13.2634 13.2442 LDB: ============= START OF LOAD BALANCING ============== 8103.58 LDB: ============== END OF LOAD BALANCING =============== 8103.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8103.58 LDB: ============= START OF LOAD BALANCING ============== 8103.88 LDB: Largest compute 4773 load 0.028846 is 24.4% of average load 0.118358 LDB: Average compute 0.001736 is 1.5% of average load 0.118358 LDB: TIME 8103.88 LOAD: AVG 0.118358 MAX 0.206719 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.598 MB LDB: TIME 8103.88 LOAD: AVG 0.118358 MAX 0.206719 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.598 MB LDB: TIME 8103.88 LOAD: AVG 0.118358 MAX 0.206719 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.598 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8103.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8103.89 PRESSURE: 2716400 -176.881 -148.713 85.5989 -148.714 -110.527 6.78594 85.5987 6.78694 -27.5814 GPRESSURE: 2716400 -92.8794 -125.396 38.9398 -194.907 -39.6555 -22.3264 74.3315 1.16279 -85.3749 PRESSAVG: 2716400 -4.78356 -12.5245 6.90299 -12.5245 21.8212 35.8986 6.90296 35.8987 -43.7194 GPRESSAVG: 2716400 -4.87206 -11.1952 7.01517 -15.154 21.0245 35.521 7.92318 36.5065 -42.8086 TIMING: 2716400 CPU: 8100.64, 0.00304586/step Wall: 8100.64, 0.00304586/step, 1.93209 hours remaining, 206.597656 MB of memory in use. ENERGY: 2716400 744.1885 2097.7394 1926.0921 125.8060 -205875.8777 17589.4772 0.0000 0.0000 34365.5439 -149027.0305 300.1228 -183392.5744 -148934.0880 300.2081 -104.9964 -72.6366 559305.9113 -8.8939 -8.8854 PRESSURE: 2716600 -162.152 -61.9845 -133.189 -61.9843 165.956 13.0309 -133.188 13.0305 -102.185 GPRESSURE: 2716600 -110.599 -55.0025 -86.3516 -95.404 194.877 25.215 -243.9 31.0112 -83.0443 PRESSAVG: 2716600 -10.6411 -2.21506 -3.4326 -2.21503 8.21027 -2.6068 -3.43262 -2.60684 24.4395 GPRESSAVG: 2716600 -10.2179 -4.34002 0.285315 0.897236 8.63952 -4.44102 -5.92209 -1.0365 23.9253 TIMING: 2716600 CPU: 8101.24, 0.00298995/step Wall: 8101.24, 0.00298995/step, 1.89646 hours remaining, 206.597656 MB of memory in use. ENERGY: 2716600 741.5548 2036.2315 1921.8484 127.0628 -205988.4715 17667.6871 0.0000 0.0000 34395.4743 -149098.6126 300.3842 -183494.0869 -148999.1780 299.0613 -32.7936 0.4112 557057.6504 7.3362 7.4490 PRESSURE: 2716800 -48.6612 -181.317 -86.6289 -181.316 0.826995 147.647 -86.6284 147.647 161.117 GPRESSURE: 2716800 2.34731 -182.997 -92.7479 -220.556 65.3707 175.716 -5.43665 116.37 136.685 PRESSAVG: 2716800 -44.0305 -22.8474 17.1603 -22.8474 73.5196 -48.7431 17.1603 -48.743 -42.5882 GPRESSAVG: 2716800 -43.4031 -21.3818 15.8169 -23.7644 74.2156 -48.2876 18.6121 -52.1339 -43.6538 TIMING: 2716800 CPU: 8101.83, 0.00296494/step Wall: 8101.83, 0.00296494/step, 1.88043 hours remaining, 206.664062 MB of memory in use. ENERGY: 2716800 737.8654 2076.4560 1967.9874 115.6317 -206044.0128 17787.9565 0.0000 0.0000 34332.3680 -149025.7478 299.8331 -183358.1158 -148932.0389 299.8952 37.7611 68.1343 556909.7662 -4.3664 -4.2804 PRESSURE: 2717000 -247.723 44.7066 46.4696 44.7054 -119.74 -20.6315 46.471 -20.6323 -166.214 GPRESSURE: 2717000 -189.696 20.092 -41.2198 75.1641 -107.413 -85.5842 62.5311 6.0239 -144.277 PRESSAVG: 2717000 -21.9849 -9.34915 -33.0207 -9.34912 60.1376 -3.31923 -33.0206 -3.31909 -72.8899 GPRESSAVG: 2717000 -22.805 -10.6384 -32.8031 -8.60616 59.6166 -1.35405 -34.1815 -0.578536 -71.6645 TIMING: 2717000 CPU: 8102.42, 0.00297309/step Wall: 8102.42, 0.00297309/step, 1.88543 hours remaining, 206.664062 MB of memory in use. ENERGY: 2717000 761.8342 2149.0335 1948.2554 102.9400 -205676.6461 17462.1034 0.0000 0.0000 34132.8418 -149119.6378 298.0906 -183252.4796 -149019.8859 299.8848 -177.8925 -147.1285 558223.6205 -11.5791 -11.6177 PRESSURE: 2717200 -115.151 45.5078 -20.4375 45.508 -282.642 13.2617 -20.4365 13.26 -79.6934 GPRESSURE: 2717200 -74.2341 57.3189 -99.9179 25.6883 -219.901 26.0884 -48.5022 -21.7636 -97.184 PRESSAVG: 2717200 30.6976 27.979 -18.342 27.9791 38.5838 8.20342 -18.342 8.20337 -77.5763 GPRESSAVG: 2717200 31.1038 28.6136 -20.4479 27.3542 39.0334 6.25342 -16.2463 8.28624 -78.2256 TIMING: 2717200 CPU: 8103.01, 0.00294789/step Wall: 8103.01, 0.00294789/step, 1.86929 hours remaining, 206.664062 MB of memory in use. ENERGY: 2717200 757.2101 2107.6725 1928.2151 120.6051 -206282.4918 17661.1296 0.0000 0.0000 34608.4621 -149099.1972 302.2443 -183707.6593 -148992.4561 299.5727 -159.1623 -130.4397 557289.5163 -2.7649 -2.6961 PRESSURE: 2717400 -233.15 47.929 -98.5483 47.9301 -203.302 33.8959 -98.5489 33.8968 -273.365 GPRESSURE: 2717400 -225.427 1.13325 -71.6666 22.0497 -227.872 75.3013 -145.343 38.4733 -161.189 PRESSAVG: 2717400 26.5663 43.1657 -8.75428 43.1656 3.39321 11.8534 -8.75412 11.8533 -44.5126 GPRESSAVG: 2717400 26.7998 41.1326 -8.27728 44.1014 3.03401 13.9638 -9.23941 11.005 -44.7132 TIMING: 2717400 CPU: 8103.61, 0.00297268/step Wall: 8103.61, 0.00297268/step, 1.88485 hours remaining, 206.664062 MB of memory in use. ENERGY: 2717400 739.5697 2140.1986 1935.6873 116.4964 -205595.2623 17295.7086 0.0000 0.0000 34361.4362 -149006.1655 300.0870 -183367.6017 -148901.5696 300.7930 -236.6056 -204.8295 557804.7046 -4.8510 -4.9598 PRESSURE: 2717600 -23.2019 -24.3018 10.8086 -24.3023 -173.875 126.062 10.8087 126.062 -213.539 GPRESSURE: 2717600 9.36588 -75.9277 -4.5498 10.5385 -131.622 57.5873 46.7913 232.218 -185.933 PRESSAVG: 2717600 35.3881 46.8241 48.7903 46.8241 -48.3147 46.4349 48.7903 46.4349 -47.2529 GPRESSAVG: 2717600 35.6464 48.0565 47.8886 44.6248 -49.7116 45.9326 47.9704 46.6594 -46.6878 TIMING: 2717600 CPU: 8104.21, 0.00298713/step Wall: 8104.21, 0.00298713/step, 1.89384 hours remaining, 206.664062 MB of memory in use. ENERGY: 2717600 773.7553 2083.2959 1916.4478 118.4017 -206045.7951 17599.9727 0.0000 0.0000 34548.8371 -149005.0846 301.7236 -183553.9217 -148907.7905 299.8699 -136.8719 -102.7295 556006.6868 -20.0598 -20.2510 PRESSURE: 2717800 -94.2329 131.973 49.1236 131.972 -75.4358 152.626 49.1222 152.626 -34.4938 GPRESSURE: 2717800 -80.222 76.474 85.8289 103.765 -37.7268 100.199 -13.9703 103.407 16.8608 PRESSAVG: 2717800 -28.6385 -3.88708 58.6291 -3.88706 32.3049 51.3446 58.6292 51.3446 9.30566 GPRESSAVG: 2717800 -29.5129 -5.59298 60.9039 -3.25298 32.5992 52.5315 59.1712 51.3131 9.84685 TIMING: 2717800 CPU: 8104.8, 0.00298733/step Wall: 8104.8, 0.00298733/step, 1.8938 hours remaining, 206.664062 MB of memory in use. ENERGY: 2717800 769.9242 2110.4160 1928.6816 109.2813 -205865.9446 17598.2153 0.0000 0.0000 34289.3489 -149060.0774 299.4574 -183349.4263 -148963.8888 299.3731 -68.0542 -33.6960 556945.7409 4.3240 4.3110 PRESSURE: 2718000 132.723 -10.3395 198.676 -10.3387 -48.1613 5.34193 198.675 5.34213 -186.251 GPRESSURE: 2718000 156.973 -90.8847 171.982 64.6535 -7.01919 150.997 209.358 -2.26852 -154.128 PRESSAVG: 2718000 -30.0547 -9.25316 16.7167 -9.25301 53.0611 42.6118 16.7167 42.6119 -24.5387 GPRESSAVG: 2718000 -29.9958 -8.21381 15.8111 -9.10091 53.8723 43.1073 15.6971 41.8552 -25.7457 TIMING: 2718000 CPU: 8105.4, 0.00298443/step Wall: 8105.4, 0.00298443/step, 1.8918 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2718000 716.0316 2125.1447 1926.9119 115.1489 -206265.5802 17765.7363 0.0000 0.0000 34301.5896 -149315.0172 299.5643 -183616.6068 -149221.5072 299.0915 -33.8964 -1.3916 557448.2603 -0.5108 -0.6231 PRESSURE: 2718200 -304.704 -40.3734 65.2075 -40.3733 -149.348 40.1787 65.207 40.1784 -138.968 GPRESSURE: 2718200 -326.975 9.99484 94.8342 -86.1558 -120.76 23.2887 6.68534 43.6525 -55.8136 PRESSAVG: 2718200 -17.0435 30.0271 3.20313 30.0271 26.1007 -49.2899 3.20303 -49.2899 -24.9669 GPRESSAVG: 2718200 -17.1121 31.9326 3.97087 30.0376 25.0341 -49.9786 3.28604 -49.0237 -23.8877 TIMING: 2718200 CPU: 8105.99, 0.00296727/step Wall: 8105.99, 0.00296727/step, 1.88076 hours remaining, 206.734375 MB of memory in use. ENERGY: 2718200 720.8925 2060.4118 1940.9507 103.7277 -205821.1840 17519.8572 0.0000 0.0000 34060.8150 -149414.5292 297.4616 -183475.3442 -149315.1425 298.7717 -197.6736 -167.8498 558725.0210 -5.3032 -5.3219 PRESSURE: 2718400 89.4434 128.796 -139.312 128.797 186.046 67.4585 -139.313 67.4601 -101.127 GPRESSURE: 2718400 159.389 141.649 -174.538 58.3138 204.295 -25.5591 -119.479 105.03 -90.8264 PRESSAVG: 2718400 -17.6307 55.7978 17.7964 55.7979 7.1204 -46.3077 17.7965 -46.3076 18.5188 GPRESSAVG: 2718400 -17.7763 55.9134 15.9958 54.7745 8.89077 -48.8566 18.0986 -45.7663 17.0996 TIMING: 2718400 CPU: 8106.58, 0.00294501/step Wall: 8106.58, 0.00294501/step, 1.86648 hours remaining, 206.734375 MB of memory in use. ENERGY: 2718400 725.7397 2187.7155 1910.8046 134.0963 -206580.9244 18056.9963 0.0000 0.0000 34169.1051 -149396.4670 298.4073 -183565.5721 -149302.3589 298.7479 58.1210 90.9526 557481.0276 2.6695 2.7380 PRESSURE: 2718600 -6.3116 39.72 -114.727 39.7198 182.046 -62.7496 -114.728 -62.7491 237.146 GPRESSURE: 2718600 26.1662 121.421 -105.421 25.8204 202.998 -87.2054 -117.649 -125.469 277.502 PRESSAVG: 2718600 23.6929 85.4487 -26.3025 85.4488 46.281 -24.9312 -26.3024 -24.9313 -23.9137 GPRESSAVG: 2718600 23.4278 85.0204 -24.8476 86.2828 46.9289 -23.5641 -25.1633 -26.3828 -24.3281 TIMING: 2718600 CPU: 8107.18, 0.00298009/step Wall: 8107.18, 0.00298009/step, 1.88855 hours remaining, 206.800781 MB of memory in use. ENERGY: 2718600 769.1181 2039.0554 1929.8700 113.1633 -206739.9686 18154.3911 0.0000 0.0000 34347.9910 -149386.3798 299.9695 -183734.3708 -149292.6662 298.6099 137.6270 168.8887 557316.9452 15.3534 15.3429 PRESSURE: 2718800 -68.8708 -52.2294 56.1504 -52.2287 45.1842 -34.0012 56.1508 -34.0034 -90.4114 GPRESSURE: 2718800 -45.2627 -16.4034 145.716 21.039 73.2936 -13.0301 2.79922 52.2999 -48.6081 PRESSAVG: 2718800 -63.7504 52.8535 25.6619 52.8534 40.777 -24.5729 25.6619 -24.573 20.3819 GPRESSAVG: 2718800 -64.189 52.6791 27.6691 52.1825 39.9058 -24.3172 23.4936 -23.2991 22.1994 TIMING: 2718800 CPU: 8107.78, 0.00298755/step Wall: 8107.78, 0.00298755/step, 1.89311 hours remaining, 206.800781 MB of memory in use. ENERGY: 2718800 763.6325 2032.1628 1927.5186 102.5151 -206439.9930 17955.5947 0.0000 0.0000 34347.3781 -149311.1912 299.9642 -183658.5693 -149213.4712 299.2815 -38.0327 -6.8591 557446.5307 -0.8638 -0.6946 PRESSURE: 2719000 54.1749 -33.3115 176.236 -33.3121 166.266 -47.1064 176.237 -47.107 3.05811 GPRESSURE: 2719000 65.1698 4.32794 95.905 -24.5119 234.755 -78.4127 172.644 -1.54742 15.0196 PRESSAVG: 2719000 -41.6376 -12.4617 15.3802 -12.4616 -13.3475 -50.7785 15.3802 -50.7784 54.2798 GPRESSAVG: 2719000 -40.0229 -12.4848 11.9795 -12.094 -14.0774 -51.2227 18.1157 -48.6861 52.9636 TIMING: 2719000 CPU: 8108.37, 0.00297045/step Wall: 8108.37, 0.00297045/step, 1.88211 hours remaining, 206.800781 MB of memory in use. ENERGY: 2719000 714.1147 2039.7009 1937.4994 95.3087 -206181.2164 17969.5046 0.0000 0.0000 34093.5067 -149331.5814 297.7471 -183425.0881 -149233.3017 298.8093 74.4997 104.9815 557222.9744 -0.2351 -0.3789 PRESSURE: 2719200 -184.259 116.426 123.778 116.425 -262.039 130.626 123.777 130.627 -56.4531 GPRESSURE: 2719200 -157.219 69.4939 117.28 167.026 -231.439 112.003 116.861 124.286 -16.3849 PRESSAVG: 2719200 -58.2395 -63.208 3.56608 -63.208 26.8753 -8.10342 3.56605 -8.10348 36.3133 GPRESSAVG: 2719200 -58.7462 -62.8145 6.18195 -62.0231 26.5587 -8.79329 1.12146 -9.58033 36.7592 TIMING: 2719200 CPU: 8108.96, 0.00296213/step Wall: 8108.96, 0.00296213/step, 1.87667 hours remaining, 206.800781 MB of memory in use. ENERGY: 2719200 756.8711 2030.3222 1948.0317 107.8536 -206160.1918 17614.2905 0.0000 0.0000 34177.7593 -149525.0634 298.4829 -183702.8227 -149429.0324 298.6935 -167.5835 -135.0141 556504.3546 1.6497 1.5239 PRESSURE: 2719400 -311.46 154.509 24.4725 154.51 -154.454 15.7464 24.4719 15.7462 -104.103 GPRESSURE: 2719400 -264.378 159.585 82.7085 132.526 -118.271 23.3786 28.687 61.5462 -86.2673 PRESSAVG: 2719400 5.37326 13.9983 -13.7829 13.9983 -36.9187 15.868 -13.7829 15.868 15.1015 GPRESSAVG: 2719400 3.89524 16.3688 -16.4663 13.7845 -36.9652 15.5328 -11.6266 17.3682 16.532 TIMING: 2719400 CPU: 8109.56, 0.00296972/step Wall: 8109.56, 0.00296972/step, 1.88132 hours remaining, 206.800781 MB of memory in use. ENERGY: 2719400 727.9778 2105.9177 1947.7979 117.9276 -206082.5904 17580.7527 0.0000 0.0000 34003.8049 -149598.4119 296.9637 -183602.2168 -149505.5406 297.8856 -190.0058 -156.3054 557079.6217 -5.4813 -5.5126 PRESSURE: 2719600 35.6824 193.377 11.6533 193.377 -108.208 53.3534 11.6543 53.3545 -114.045 GPRESSURE: 2719600 72.3474 127.086 -17.1454 228.518 -82.2319 54.3266 8.63429 43.2989 -94.2685 PRESSAVG: 2719600 21.1208 47.6784 -19.255 47.6783 5.72157 16.5737 -19.255 16.5736 -54.1915 GPRESSAVG: 2719600 21.6845 48.2794 -18.4826 45.7382 5.96779 17.0004 -18.7595 13.5691 -55.7144 TIMING: 2719600 CPU: 8110.15, 0.00297767/step Wall: 8110.15, 0.00297767/step, 1.88619 hours remaining, 206.800781 MB of memory in use. ENERGY: 2719600 715.1761 2102.1182 1925.5516 100.8698 -206205.2100 17672.6139 0.0000 0.0000 34336.0926 -149352.7879 299.8656 -183688.8805 -149253.7282 299.2092 -62.1902 -34.7177 558036.9019 -9.1164 -9.3541 PRESSURE: 2719800 -180.789 111.137 -89.0771 111.136 -209.79 -68.312 -89.0759 -68.3132 39.0435 GPRESSURE: 2719800 -124.909 46.8409 -100.155 161.961 -172.235 -74.5053 -34.7698 -9.19816 35.6487 PRESSAVG: 2719800 -4.3825 -8.57317 15.6554 -8.57328 -6.89914 46.743 15.6555 46.743 3.01127 GPRESSAVG: 2719800 -4.42221 -10.6272 15.4475 -4.81847 -7.26093 47.9902 15.3235 46.2831 3.1881 TIMING: 2719800 CPU: 8110.75, 0.00297069/step Wall: 8110.75, 0.00297069/step, 1.8816 hours remaining, 206.800781 MB of memory in use. ENERGY: 2719800 744.8052 2088.9290 1940.7397 105.6459 -205966.6637 17730.5725 0.0000 0.0000 33877.1235 -149478.8479 295.8573 -183355.9715 -149383.5021 299.0302 -117.1783 -87.1653 558357.0981 -2.7568 -2.8317 PRESSURE: 2720000 -52.8922 -69.7809 -92.1113 -69.7807 104.233 -12.9405 -92.1119 -12.941 -69.9016 GPRESSURE: 2720000 70.8634 -63.9975 -81.3607 -96.9599 102.898 -64.1839 -102.459 -22.3009 -90.96 PRESSAVG: 2720000 17.2095 -5.31306 -30.6529 -5.31304 -15.7675 -27.9857 -30.6527 -27.9857 38.4834 GPRESSAVG: 2720000 17.9208 -6.00604 -30.0907 -8.67214 -16.5902 -29.1094 -30.9732 -24.8833 38.7308 TIMING: 2720000 CPU: 8111.34, 0.00298607/step Wall: 8111.34, 0.00298607/step, 1.89118 hours remaining, 206.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2720000 720.5799 2034.5213 1940.0034 117.5921 -206235.5583 17713.3755 0.0000 0.0000 34343.3811 -149366.1050 299.9293 -183709.4861 -149263.3677 298.6388 -6.1870 27.6006 555440.2846 13.3085 13.3538 PRESSURE: 2720200 -31.8506 76.5596 2.93857 76.5608 -93.037 90.2349 2.93766 90.2329 81.5406 GPRESSURE: 2720200 -47.0023 28.5571 -54.0974 105.234 -2.13735 83.3688 -17.7521 7.84093 93.1162 PRESSAVG: 2720200 -23.5688 -4.61509 -7.83633 -4.61515 2.32087 38.2204 -7.83639 38.2205 3.07071 GPRESSAVG: 2720200 -24.806 -3.10555 -5.95197 -2.49439 3.24284 38.1192 -7.36735 35.5758 3.6987 TIMING: 2720200 CPU: 8111.94, 0.00297996/step Wall: 8111.94, 0.00297996/step, 1.88714 hours remaining, 206.800781 MB of memory in use. ENERGY: 2720200 752.2754 2088.7039 1947.7264 109.6383 -206459.6122 17784.5669 0.0000 0.0000 34413.2017 -149363.4996 300.5390 -183776.7014 -149258.9831 299.2726 -14.4490 14.6588 556224.5894 -6.0591 -5.9548 LDB: ============= START OF LOAD BALANCING ============== 8115.49 LDB: ============== END OF LOAD BALANCING =============== 8115.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8115.49 LDB: ============= START OF LOAD BALANCING ============== 8115.78 LDB: Largest compute 4773 load 0.029251 is 24.7% of average load 0.118214 LDB: Average compute 0.001739 is 1.5% of average load 0.118214 LDB: TIME 8115.79 LOAD: AVG 0.118214 MAX 0.204886 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 8115.79 LOAD: AVG 0.118214 MAX 0.204886 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 8115.79 LOAD: AVG 0.118214 MAX 0.204886 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8115.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8115.79 PRESSURE: 2720400 151.55 83.6567 141.57 83.6581 -92.7469 80.2281 141.571 80.2287 5.1761 GPRESSURE: 2720400 217.203 85.4094 197.393 95.0636 -51.2763 -4.24328 104.961 153.793 -17.3421 PRESSAVG: 2720400 -15.5185 61.1862 4.20869 61.186 -36.8993 23.0302 4.20863 23.0302 92.777 GPRESSAVG: 2720400 -14.8979 59.8894 3.50521 60.8947 -37.7891 22.6788 4.77018 25.367 93.6902 TIMING: 2720400 CPU: 8112.54, 0.00302424/step Wall: 8112.54, 0.00302424/step, 1.91502 hours remaining, 207.503906 MB of memory in use. ENERGY: 2720400 778.7692 2121.7755 1937.5038 115.6113 -206325.1332 17851.3502 0.0000 0.0000 34040.7211 -149479.4020 297.2861 -183520.1232 -149380.3616 298.8546 21.3265 49.5282 556968.4954 13.4531 13.6677 PRESSURE: 2720600 -253.196 -83.0514 -22.4012 -83.0529 -204.836 36.8242 -22.4025 36.8248 88.3461 GPRESSURE: 2720600 -187.544 -98.6766 40.8406 -86.962 -160.142 -2.61604 6.27666 45.493 74.9194 PRESSAVG: 2720600 -18.5987 -22.7791 15.6599 -22.7792 -4.42292 4.82964 15.6599 4.82961 42.0418 GPRESSAVG: 2720600 -17.0177 -23.6294 16.137 -24.0915 -5.23578 6.19662 13.9343 3.54193 40.7308 TIMING: 2720600 CPU: 8113.14, 0.00298277/step Wall: 8113.14, 0.00298277/step, 1.88859 hours remaining, 207.503906 MB of memory in use. ENERGY: 2720600 753.2852 2108.2172 1903.7916 119.7632 -206248.7122 17752.1576 0.0000 0.0000 34112.3987 -149499.0987 297.9121 -183611.4973 -149393.1766 298.4345 -123.2288 -90.9221 557591.4691 6.3401 6.1591 PRESSURE: 2720800 154.075 -21.005 -162.825 -21.0049 302.947 -142.605 -162.825 -142.606 -38.3022 GPRESSURE: 2720800 160.003 0.0362724 -186.529 -51.1716 267.437 -220.117 -137.224 -123.799 85.2684 PRESSAVG: 2720800 -34.4236 6.9946 -1.3101 6.99466 14.7464 -37.2948 -1.31016 -37.2948 -2.50016 GPRESSAVG: 2720800 -36.2826 10.7466 -3.11458 5.00412 16.5971 -36.5187 0.675945 -36.1882 -2.1878 TIMING: 2720800 CPU: 8113.74, 0.0029979/step Wall: 8113.74, 0.0029979/step, 1.898 hours remaining, 207.503906 MB of memory in use. ENERGY: 2720800 769.3173 2106.7144 1928.4472 108.2566 -206542.5658 18229.5920 0.0000 0.0000 33982.2370 -149418.0014 296.7753 -183400.2384 -149323.5552 298.3538 139.5733 170.9028 559819.7388 -7.3925 -7.2911 PRESSURE: 2721000 -152.306 -23.7093 -161.96 -23.71 -25.5322 87.2789 -161.96 87.278 -56.1602 GPRESSURE: 2721000 -79.578 -57.2168 -260.95 10.8453 -1.11889 134.183 -116.537 -73.336 -49.4447 PRESSAVG: 2721000 -10.2725 41.993 10.8543 41.9929 21.1892 -29.305 10.8544 -29.305 -32.2547 GPRESSAVG: 2721000 -9.83813 39.3826 10.2798 45.5724 20.0485 -29.9909 11.8837 -30.4504 -32.3643 TIMING: 2721000 CPU: 8114.34, 0.00298368/step Wall: 8114.34, 0.00298368/step, 1.88883 hours remaining, 207.503906 MB of memory in use. ENERGY: 2721000 720.6417 2078.9066 1953.3141 105.7839 -206409.6630 17920.5705 0.0000 0.0000 34340.7018 -149289.7443 299.9059 -183630.4462 -149187.2809 298.1758 -77.9996 -43.3805 559540.4681 -7.1127 -7.3846 PRESSURE: 2721200 -41.1932 55.3088 -166.721 55.3092 -376.359 -5.66801 -166.721 -5.66857 -50.8615 GPRESSURE: 2721200 -58.6725 41.0019 -53.3178 116.415 -307.143 100.29 -155.406 -21.3204 -22.4641 PRESSAVG: 2721200 85.1201 -14.4607 22.7648 -14.4607 -23.8609 11.1916 22.7647 11.1915 -8.08845 GPRESSAVG: 2721200 85.8868 -14.1901 23.5109 -16.3971 -23.1152 11.2161 20.945 10.7324 -9.40897 TIMING: 2721200 CPU: 8114.94, 0.00299527/step Wall: 8114.94, 0.00299527/step, 1.89601 hours remaining, 207.503906 MB of memory in use. ENERGY: 2721200 782.2760 2065.3818 1945.2384 111.7302 -206134.0703 17616.1676 0.0000 0.0000 34093.2917 -149519.9846 297.7452 -183613.2763 -149426.8040 298.8413 -156.1378 -129.4266 558042.0395 17.7236 17.7875 PRESSURE: 2721400 179.106 63.3279 -119.576 63.3287 232.479 -149.928 -119.576 -149.929 30.0456 GPRESSURE: 2721400 204.714 39.368 -82.742 85.8501 245.466 -221.992 -132.139 -146.348 80.4077 PRESSAVG: 2721400 44.369 11.9986 19.2611 11.9986 -45.1255 -62.5683 19.2612 -62.5684 9.61773 GPRESSAVG: 2721400 42.1858 12.0619 17.966 11.7277 -44.989 -62.6043 18.9727 -60.4054 11.8146 TIMING: 2721400 CPU: 8115.53, 0.00299722/step Wall: 8115.53, 0.00299722/step, 1.89707 hours remaining, 207.503906 MB of memory in use. ENERGY: 2721400 744.0042 2139.0492 1930.4260 121.4809 -206979.7188 18202.4515 0.0000 0.0000 34493.4515 -149348.8556 301.2399 -183842.3071 -149250.9773 299.8769 147.2102 176.8628 556260.0197 2.9537 3.0038 PRESSURE: 2721600 -84.5531 29.3556 18.7394 29.3538 68.9665 89.6492 18.7389 89.6505 138.449 GPRESSURE: 2721600 -43.5607 -49.7425 -20.6786 60.2328 94.9214 132.913 48.95 75.7778 159.64 PRESSAVG: 2721600 30.2831 32.9164 37.6822 32.9164 -54.8657 16.8242 37.6823 16.8242 19.8431 GPRESSAVG: 2721600 30.6685 30.7593 38.608 31.9192 -53.9218 17.456 38.612 14.4277 18.5014 TIMING: 2721600 CPU: 8116.13, 0.00299944/step Wall: 8116.13, 0.00299944/step, 1.89832 hours remaining, 207.503906 MB of memory in use. ENERGY: 2721600 735.1298 2161.9755 1953.5378 116.3850 -206346.6699 17806.6473 0.0000 0.0000 33900.3477 -149672.6467 296.0602 -183572.9944 -149576.7231 298.2582 40.9540 70.3337 555762.2839 -1.5798 -1.5840 PRESSURE: 2721800 57.107 27.177 -44.5571 27.1767 -314.946 95.0321 -44.5565 95.0345 -290.411 GPRESSURE: 2721800 78.8527 -44.7161 -52.782 -24.4206 -270.838 6.55046 -66.7304 129.446 -251.673 PRESSAVG: 2721800 5.37565 22.3951 24.3837 22.395 13.2162 11.6066 24.3838 11.6066 -31.3712 GPRESSAVG: 2721800 6.23997 23.7268 25.6389 24.3522 12.4167 10.387 23.5344 13.5587 -31.1145 TIMING: 2721800 CPU: 8116.73, 0.00299107/step Wall: 8116.73, 0.00299107/step, 1.89285 hours remaining, 207.503906 MB of memory in use. ENERGY: 2721800 740.8719 2073.2199 1921.4993 112.5139 -206488.2105 17749.6117 0.0000 0.0000 34389.0944 -149501.3995 300.3285 -183890.4939 -149414.9203 298.3327 -182.7499 -147.8860 557398.2327 -4.2598 -4.1526 PRESSURE: 2722000 319.041 -169.246 -50.4628 -169.246 285.633 102.96 -50.4612 102.96 74.7357 GPRESSURE: 2722000 339.234 -199.258 2.75463 -143.462 328.615 143.479 -42.2851 34.8226 113.249 PRESSAVG: 2722000 63.2388 -36.5468 -29.8314 -36.5468 -41.9197 3.82611 -29.8315 3.82612 -14.7995 GPRESSAVG: 2722000 62.5735 -35.8337 -29.3094 -37.0022 -41.4863 7.1891 -28.6303 0.70772 -14.9975 TIMING: 2722000 CPU: 8117.33, 0.00297714/step Wall: 8117.33, 0.00297714/step, 1.88387 hours remaining, 207.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2722000 691.3678 2047.2179 1945.7724 111.2902 -206826.6122 18121.0961 0.0000 0.0000 34304.9205 -149604.9473 299.5934 -183909.8678 -149502.2805 299.2832 226.4700 260.3660 555433.6701 2.1732 2.0299 PRESSURE: 2722200 -75.7815 -177.007 110.378 -177.008 343.765 48.3226 110.377 48.3235 67.7292 GPRESSURE: 2722200 -32.2995 -182.645 151.435 -114.805 385.235 46.0477 115.355 40.3762 81.7123 PRESSAVG: 2722200 12.1595 -8.99771 71.0171 -8.99774 6.31144 24.2159 71.0172 24.2159 -33.5599 GPRESSAVG: 2722200 11.1076 -9.907 70.8842 -8.94851 6.27475 20.197 73.5737 26.6398 -32.6826 TIMING: 2722200 CPU: 8117.92, 0.00297142/step Wall: 8117.92, 0.00297142/step, 1.88009 hours remaining, 207.503906 MB of memory in use. ENERGY: 2722200 720.9112 2077.3823 1935.9731 110.0579 -206529.5432 17964.6797 0.0000 0.0000 34376.5196 -149344.0194 300.2187 -183720.5390 -149251.4887 299.5064 111.9041 144.8825 556450.9834 -5.0296 -5.1001 PRESSURE: 2722400 82.9529 0.309096 -221.92 0.309269 -94.1866 -114.116 -221.921 -114.118 138.916 GPRESSURE: 2722400 110.229 7.16563 -109.411 30.1551 3.55262 -101.2 -177.074 -121.345 107.85 PRESSAVG: 2722400 -2.78882 -45.6285 8.778 -45.6286 16.0501 62.7575 8.77794 62.7574 -6.52468 GPRESSAVG: 2722400 -1.95833 -46.7009 8.10279 -45.4549 15.3122 64.619 6.29855 62.2903 -6.25916 TIMING: 2722400 CPU: 8118.52, 0.00299905/step Wall: 8118.52, 0.00299905/step, 1.8974 hours remaining, 207.503906 MB of memory in use. ENERGY: 2722400 778.8128 2094.0467 1924.0871 123.5290 -206458.8273 17995.0967 0.0000 0.0000 34296.3702 -149246.8849 299.5187 -183543.2550 -149154.5900 299.4626 42.5609 73.8770 556256.6255 2.2455 2.3649 PRESSURE: 2722600 281.474 -23.3857 5.57095 -23.3862 -124.662 -108.436 5.57033 -108.436 -22.6967 GPRESSURE: 2722600 272.355 -11.0636 9.76893 -76.7229 -99.4169 -110.042 60.2607 -116.405 58.7783 PRESSAVG: 2722600 7.59096 11.9777 -43.3451 11.9776 -65.3377 -8.16903 -43.3449 -8.1691 48.0623 GPRESSAVG: 2722600 7.88238 13.1387 -43.9894 11.3267 -65.4317 -7.94934 -43.3929 -8.69327 47.6941 TIMING: 2722600 CPU: 8119.11, 0.00295366/step Wall: 8119.11, 0.00295366/step, 1.86852 hours remaining, 207.503906 MB of memory in use. ENERGY: 2722600 709.7038 2061.9921 1953.0045 115.6741 -206235.2285 17838.5558 0.0000 0.0000 34253.8758 -149302.4224 299.1476 -183556.2982 -149209.4761 299.3824 44.7051 77.2387 555555.8441 -3.2281 -3.2851 PRESSURE: 2722800 -143.353 33.5463 -38.0962 33.5445 10.3118 30.6289 -38.0958 30.6284 -87.1283 GPRESSURE: 2722800 -84.2404 -3.23673 -40.6181 70.4029 -5.74946 105.036 -41.3406 -92.1215 -45.3871 PRESSAVG: 2722800 -20.879 12.72 20.9938 12.72 15.6231 -14.9059 20.994 -14.9059 -0.980054 GPRESSAVG: 2722800 -20.7179 13.5686 22.1552 13.3588 17.4543 -14.8288 22.081 -14.8698 -3.18041 TIMING: 2722800 CPU: 8119.7, 0.00294978/step Wall: 8119.7, 0.00294978/step, 1.8659 hours remaining, 207.503906 MB of memory in use. ENERGY: 2722800 722.4532 2091.7371 1943.4950 112.2660 -206108.1282 17627.4947 0.0000 0.0000 34283.6132 -149327.0692 299.4073 -183610.6824 -149229.8944 299.3348 -73.3900 -45.1256 555722.6218 -2.0786 -2.1480 PRESSURE: 2723000 283.696 85.883 60.8296 85.8838 188.197 -83.0168 60.8295 -83.0168 308.35 GPRESSURE: 2723000 316.581 93.3304 68.4211 111.521 224.221 -46.3416 72.5875 -127.859 338.704 PRESSAVG: 2723000 3.59142 26.7563 18.1247 26.7563 25.6856 -40.2597 18.1247 -40.2598 -23.543 GPRESSAVG: 2723000 2.99352 24.6557 14.3642 28.0833 25.3009 -40.8644 19.6641 -39.823 -22.5094 TIMING: 2723000 CPU: 8120.29, 0.00294628/step Wall: 8120.29, 0.00294628/step, 1.86352 hours remaining, 207.503906 MB of memory in use. ENERGY: 2723000 717.3019 2121.1558 1945.0263 118.7568 -206480.1692 18049.3554 0.0000 0.0000 34163.9403 -149364.6327 298.3622 -183528.5730 -149274.1467 299.1074 260.0808 293.1690 555329.4763 1.9113 1.9283 PRESSURE: 2723200 -193.925 -87.3842 -131.773 -87.384 -79.4251 73.335 -131.774 73.3354 45.9891 GPRESSURE: 2723200 -171.462 -66.8537 -102.026 -112.762 -59.9401 89.2542 -34.0734 97.5619 95.8959 PRESSAVG: 2723200 -37.3228 -25.9489 27.3438 -25.9489 -22.1796 11.5258 27.3438 11.5258 105.926 GPRESSAVG: 2723200 -38.3792 -23.3448 29.2094 -26.2866 -22.7606 10.491 24.8799 12.4738 107.386 TIMING: 2723200 CPU: 8120.89, 0.00297166/step Wall: 8120.89, 0.00297166/step, 1.87941 hours remaining, 207.503906 MB of memory in use. ENERGY: 2723200 757.7028 2057.9112 1921.0433 113.8717 -206064.8296 17779.2390 0.0000 0.0000 34234.5724 -149200.4893 298.9790 -183435.0616 -149102.8968 299.2003 -75.7869 -45.1687 557617.3797 15.4744 15.4153 PRESSURE: 2723400 -141.301 181.148 -41.2865 181.149 13.1272 38.3962 -41.2861 38.3959 -107.218 GPRESSURE: 2723400 -45.5322 148.085 -85.0322 149.86 17.2063 3.4356 -83.3513 -4.38652 -106.542 PRESSAVG: 2723400 34.475 68.7281 -7.26825 68.7283 28.972 23.9226 -7.2682 23.9227 -59.8391 GPRESSAVG: 2723400 35.0555 67.1925 -6.13819 67.5346 27.9318 23.2092 -6.94673 22.3889 -59.5614 TIMING: 2723400 CPU: 8121.48, 0.00298202/step Wall: 8121.48, 0.00298202/step, 1.8858 hours remaining, 207.503906 MB of memory in use. ENERGY: 2723400 739.1337 2072.1612 1943.8702 92.4406 -205981.1499 17661.3263 0.0000 0.0000 34109.0026 -149363.2153 297.8824 -183472.2179 -149268.3274 299.0363 -78.4640 -44.9560 557490.7035 1.2027 1.1420 PRESSURE: 2723600 -133.877 -42.9399 -27.0783 -42.9399 69.8274 75.3077 -27.0796 75.3067 48.2554 GPRESSURE: 2723600 -122.148 91.6601 -65.6865 -50.6489 127.208 75.4321 34.3895 47.3687 74.5452 PRESSAVG: 2723600 -16.9545 -25.0745 -11.3776 -25.0746 78.5924 43.2963 -11.3776 43.2963 -71.0977 GPRESSAVG: 2723600 -16.8953 -24.8441 -10.6862 -24.4207 79.8101 45.7206 -12.68 40.4624 -71.9052 TIMING: 2723600 CPU: 8122.08, 0.00295925/step Wall: 8122.08, 0.00295925/step, 1.87123 hours remaining, 207.503906 MB of memory in use. ENERGY: 2723600 723.2139 2091.6651 1937.3159 107.2737 -206612.9686 17992.9565 0.0000 0.0000 34337.1342 -149423.4093 299.8747 -183760.5435 -149329.2921 299.1968 -5.2649 26.5351 557523.3108 -3.1533 -2.9968 PRESSURE: 2723800 105.131 79.4609 32.3887 79.4595 -70.2316 19.8786 32.3902 19.8772 -341.763 GPRESSURE: 2723800 116.574 160.373 -2.59385 -12.3087 -50.5666 50.1215 -0.372932 20.1293 -272.598 PRESSAVG: 2723800 24.8744 20.1165 21.8348 20.1166 15.7775 6.12017 21.8348 6.12025 -0.692031 GPRESSAVG: 2723800 25.9899 18.8895 16.8991 18.8591 14.3319 6.64508 23.3689 8.97832 0.133784 TIMING: 2723800 CPU: 8122.67, 0.00299055/step Wall: 8122.67, 0.00299055/step, 1.89086 hours remaining, 207.503906 MB of memory in use. ENERGY: 2723800 741.4500 2082.7246 1929.8645 108.4311 -206374.4695 17877.4923 0.0000 0.0000 34326.7298 -149307.7772 299.7839 -183634.5070 -149213.0075 298.3983 -102.2881 -68.8634 559214.8364 13.3200 13.4852 PRESSURE: 2724000 -9.84636 -3.5378 -73.9501 -3.53836 22.5667 -106.613 -73.9501 -106.612 86.7571 GPRESSURE: 2724000 48.7179 3.21786 -8.22422 13.3005 37.8473 -158.537 -63.4699 -74.0873 125.561 PRESSAVG: 2724000 27.9634 -8.74075 -15.4735 -8.74067 22.0853 46.8198 -15.4734 46.8198 -72.1409 GPRESSAVG: 2724000 28.696 -8.51663 -9.7903 -9.0896 23.5644 43.8203 -17.1396 48.7081 -73.4371 TIMING: 2724000 CPU: 8123.27, 0.00300074/step Wall: 8123.27, 0.00300074/step, 1.89713 hours remaining, 207.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2724000 764.3814 2076.7979 1946.7159 107.4564 -206669.2624 18131.5056 0.0000 0.0000 34235.2078 -149407.1974 298.9846 -183642.4053 -149310.5644 298.5726 33.1591 70.7088 557376.6570 -7.3641 -7.0589 PRESSURE: 2724200 133.759 -197.376 76.2202 -197.376 62.6161 -55.7219 76.2197 -55.723 -61.174 GPRESSURE: 2724200 202.919 -156.126 62.9827 -227.219 78.2558 -45.0341 106.587 -64.9573 -47.0379 PRESSAVG: 2724200 9.79265 -84.5901 -12.3087 -84.5901 19.2991 -13.717 -12.3086 -13.7171 -17.6664 GPRESSAVG: 2724200 9.17976 -83.9489 -12.993 -82.5053 19.0064 -12.1929 -9.93325 -16.9343 -16.5767 TIMING: 2724200 CPU: 8123.87, 0.00296588/step Wall: 8123.87, 0.00296588/step, 1.87493 hours remaining, 207.503906 MB of memory in use. ENERGY: 2724200 759.8045 2075.9625 1936.6700 118.3843 -206460.3515 17910.0271 0.0000 0.0000 34252.8752 -149406.6279 299.1389 -183659.5031 -149311.0777 298.5425 45.0672 78.0456 557145.4300 3.8085 3.8698 LDB: ============= START OF LOAD BALANCING ============== 8127.41 LDB: ============== END OF LOAD BALANCING =============== 8127.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8127.42 LDB: ============= START OF LOAD BALANCING ============== 8127.71 LDB: Largest compute 4773 load 0.029861 is 25.3% of average load 0.118257 LDB: Average compute 0.001736 is 1.5% of average load 0.118257 LDB: TIME 8127.72 LOAD: AVG 0.118257 MAX 0.207687 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.797 MB LDB: TIME 8127.72 LOAD: AVG 0.118257 MAX 0.207687 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.797 MB LDB: TIME 8127.72 LOAD: AVG 0.118257 MAX 0.207687 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.797 MB LDB: ============== END OF LOAD BALANCING =============== 8127.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8127.72 PRESSURE: 2724400 -153.8 96.9893 -130.96 96.9902 29.2959 -59.138 -130.96 -59.1387 45.4781 GPRESSURE: 2724400 -82.7802 81.549 -99.3252 107.484 57.5182 -25.1292 -175.889 -65.557 44.8076 PRESSAVG: 2724400 12.3327 -10.7325 -10.3344 -10.7324 8.30002 -30.8332 -10.3344 -30.8331 -25.5571 GPRESSAVG: 2724400 12.9336 -10.3676 -8.80067 -12.6229 8.69886 -29.5639 -10.4858 -30.7999 -26.6205 TIMING: 2724400 CPU: 8124.47, 0.0030353/step Wall: 8124.47, 0.0030353/step, 1.91865 hours remaining, 206.734375 MB of memory in use. ENERGY: 2724400 735.5426 2069.8650 1908.2132 113.8053 -206594.0032 18016.6477 0.0000 0.0000 34199.9724 -149549.9570 298.6769 -183749.9294 -149455.7856 298.4770 -26.3420 6.5152 557500.5568 -1.6414 -1.6627 PRESSURE: 2724600 1.63988 -127.778 27.4219 -127.78 162.254 160.448 27.4215 160.45 23.5716 GPRESSURE: 2724600 13.8551 -65.3712 62.5566 -125.122 171.855 212.587 -3.19642 52.6619 114.459 PRESSAVG: 2724600 -25.5069 0.750663 20.6942 0.750644 37.9782 -19.0689 20.6941 -19.0689 0.248112 GPRESSAVG: 2724600 -26.1996 2.26871 19.716 1.8613 37.116 -18.3706 20.8545 -18.8509 1.74054 TIMING: 2724600 CPU: 8125.07, 0.00298021/step Wall: 8125.07, 0.00298021/step, 1.88366 hours remaining, 206.933594 MB of memory in use. ENERGY: 2724600 752.2053 2127.1613 1913.0265 104.2350 -206502.3568 17975.0486 0.0000 0.0000 34169.4061 -149461.2740 298.4099 -183630.6801 -149362.9748 298.5514 62.4884 100.0564 556010.2993 4.2398 4.2190 PRESSURE: 2724800 -15.8463 -0.687243 18.9622 -0.686403 -197.166 -5.29298 18.9622 -5.29237 -58.2816 GPRESSURE: 2724800 -16.4799 -29.2592 -64.1485 65.9762 -163.319 4.43935 101.901 26.3141 -4.61109 PRESSAVG: 2724800 -31.1092 -48.8842 12.0035 -48.8842 24.1658 -17.6745 12.0035 -17.6745 -0.422729 GPRESSAVG: 2724800 -32.356 -51.203 12.8413 -47.729 25.2216 -19.4782 11.1836 -16.6274 -0.8592 TIMING: 2724800 CPU: 8125.66, 0.00296601/step Wall: 8125.66, 0.00296601/step, 1.87452 hours remaining, 206.933594 MB of memory in use. ENERGY: 2724800 756.7167 2043.2463 1939.5046 109.2130 -206529.5930 17854.0103 0.0000 0.0000 34311.4340 -149515.4680 299.6503 -183826.9020 -149415.5858 298.4138 -90.4314 -61.4700 556691.8751 -2.4554 -2.6645 PRESSURE: 2725000 286.768 70.5498 1.52676 70.5498 -41.1859 228.729 1.5267 228.728 96.1757 GPRESSURE: 2725000 349.953 22.8631 50.1086 111.606 19.7621 225.225 27.9804 215.799 93.0737 PRESSAVG: 2725000 -16.3109 -4.80931 41.655 -4.8094 12.5846 -9.7194 41.6549 -9.7194 31.0151 GPRESSAVG: 2725000 -16.2353 -4.62829 39.5235 -8.77433 11.5865 -8.16775 42.3949 -9.49585 32.2806 TIMING: 2725000 CPU: 8126.25, 0.00295067/step Wall: 8126.25, 0.00295067/step, 1.86466 hours remaining, 206.933594 MB of memory in use. ENERGY: 2725000 780.6057 2107.8924 1945.4275 95.5048 -206778.3732 18085.7006 0.0000 0.0000 34396.7430 -149366.4992 300.3953 -183763.2422 -149270.0788 299.1209 113.9193 154.2628 555593.7380 9.0963 9.2106 PRESSURE: 2725200 -190.518 65.4655 -34.9044 65.4653 3.44349 23.8781 -34.9043 23.8772 -209.278 GPRESSURE: 2725200 -145.196 52.5501 -9.90802 15.973 60.9893 -31.2917 -62.7535 84.9595 -208.413 PRESSAVG: 2725200 14.5214 31.5242 -66.8671 31.5242 -10.1847 58.4543 -66.8671 58.4542 62.7223 GPRESSAVG: 2725200 14.8472 32.4066 -67.9997 33.7823 -8.72165 58.0113 -66.6446 58.935 61.1224 TIMING: 2725200 CPU: 8126.84, 0.00295686/step Wall: 8126.84, 0.00295686/step, 1.86841 hours remaining, 206.933594 MB of memory in use. ENERGY: 2725200 749.0709 2083.7829 1937.2340 104.5814 -206131.5927 17603.6276 0.0000 0.0000 34306.0465 -149347.2495 299.6032 -183653.2959 -149241.8857 299.0854 -132.1177 -97.5400 556865.6886 22.3530 22.4160 PRESSURE: 2725400 119.955 62.611 29.7631 62.6115 111.12 20.9204 29.7628 20.9206 243.991 GPRESSURE: 2725400 198.491 105.304 14.0214 122.735 139.189 -19.4462 79.7818 39.8869 228.839 PRESSAVG: 2725400 -24.3848 1.08416 -23.5761 1.08412 20.1162 23.8161 -23.5761 23.8161 11.4614 GPRESSAVG: 2725400 -25.1959 1.10746 -23.6029 1.91099 19.5474 25.8542 -24.0888 22.2568 12.4348 TIMING: 2725400 CPU: 8127.43, 0.00294282/step Wall: 8127.43, 0.00294282/step, 1.85937 hours remaining, 206.933594 MB of memory in use. ENERGY: 2725400 763.2943 2095.1375 1958.4884 113.6822 -206525.0502 18212.1870 0.0000 0.0000 34141.9333 -149240.3275 298.1700 -183382.2608 -149139.6046 299.6346 158.3550 188.8395 557082.9224 2.3976 2.2621 PRESSURE: 2725600 54.6426 -120.225 78.599 -120.226 -174.478 -183.484 78.5984 -183.484 -133.05 GPRESSURE: 2725600 64.7483 -89.3786 71.6998 -131.726 -167.962 -236.906 41.5201 -58.162 -51.3907 PRESSAVG: 2725600 -47.8818 24.9758 75.1237 24.9757 14.9357 13.6669 75.1237 13.6668 42.0435 GPRESSAVG: 2725600 -46.3954 24.9321 75.6074 25.0647 14.8477 10.3491 74.8964 15.3517 40.4685 TIMING: 2725600 CPU: 8128.02, 0.0029406/step Wall: 8128.02, 0.0029406/step, 1.85781 hours remaining, 206.933594 MB of memory in use. ENERGY: 2725600 761.4436 2118.4724 1944.9666 106.3969 -206301.9954 17761.4748 0.0000 0.0000 34267.9225 -149341.3187 299.2703 -183609.2411 -149240.7552 298.7696 -84.2949 -51.5349 558468.2533 3.0325 2.9736 PRESSURE: 2725800 103.13 -40.4252 109.989 -40.4247 222.203 -17.4742 109.989 -17.4757 51.3193 GPRESSURE: 2725800 72.3545 -74.6192 109.901 -36.3673 298.542 -18.0449 137.321 -40.8374 117.22 PRESSAVG: 2725800 -4.66496 -2.61423 -11.6741 -2.61421 26.6875 10.253 -11.674 10.2529 -5.94051 GPRESSAVG: 2725800 -5.32703 -3.374 -12.3823 -1.81188 27.0224 11.2901 -9.59903 9.51702 -5.31401 TIMING: 2725800 CPU: 8128.61, 0.00295975/step Wall: 8128.61, 0.00295975/step, 1.86974 hours remaining, 206.933594 MB of memory in use. ENERGY: 2725800 735.8140 2098.7136 1936.2003 115.8983 -206758.5280 18192.4489 0.0000 0.0000 34283.9811 -149395.4719 299.4105 -183679.4530 -149297.0081 299.4312 125.5507 162.7056 558238.9220 5.3607 5.4605 PRESSURE: 2726000 193.934 -158.035 37.3527 -158.037 -278.912 77.4648 37.3528 77.4649 113.95 GPRESSURE: 2726000 271.462 -91.6962 1.49072 -237.513 -246.327 40.3391 91.8273 65.869 117.606 PRESSAVG: 2726000 -7.88445 15.8694 -22.4056 15.8694 9.58218 67.4308 -22.4055 67.4308 -6.55793 GPRESSAVG: 2726000 -7.78106 16.3227 -19.5599 13.8317 9.45089 67.8031 -24.9179 68.2945 -6.29276 TIMING: 2726000 CPU: 8129.2, 0.00295411/step Wall: 8129.2, 0.00295411/step, 1.86601 hours remaining, 206.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2726000 733.2806 2081.6233 1939.7115 116.2810 -206337.9238 17797.8316 0.0000 0.0000 34231.9363 -149437.2594 298.9560 -183669.1957 -149343.7238 298.6376 9.6574 47.5801 556713.2044 -1.6201 -1.5410 PRESSURE: 2726200 -121.893 121.971 105.246 121.97 -167.259 -98.369 105.247 -98.3685 200.848 GPRESSURE: 2726200 -109.309 168.192 134.247 62.5649 -134.632 -87.1056 99.3849 -81.3375 243.516 PRESSAVG: 2726200 -4.88454 -45.4038 -2.81033 -45.4038 -52.0885 10.0042 -2.81033 10.004 62.3531 GPRESSAVG: 2726200 -4.47384 -44.229 -3.57441 -44.4551 -51.544 8.72999 -3.09733 10.7873 61.5885 TIMING: 2726200 CPU: 8129.8, 0.00297136/step Wall: 8129.8, 0.00297136/step, 1.87674 hours remaining, 206.933594 MB of memory in use. ENERGY: 2726200 775.7124 2095.0182 1928.3134 114.3580 -206309.9375 17937.4576 0.0000 0.0000 33939.9575 -149519.1205 296.4061 -183459.0780 -149421.5831 298.5189 -29.4350 -0.1417 558020.4177 1.7933 1.8569 PRESSURE: 2726400 228.435 -108.316 14.0448 -108.318 -55.0422 -30.0919 14.0449 -30.091 175.525 GPRESSURE: 2726400 240.203 -161.219 20.1151 -34.6758 18.0394 -23.7625 39.9928 -34.7621 188.946 PRESSAVG: 2726400 7.62981 61.1806 67.4057 61.1806 18.4116 -38.9602 67.4056 -38.9601 -16.627 GPRESSAVG: 2726400 6.69746 61.546 65.5497 61.5699 17.4348 -37.9219 67.2586 -39.4684 -14.0961 TIMING: 2726400 CPU: 8130.39, 0.00297791/step Wall: 8130.39, 0.00297791/step, 1.88072 hours remaining, 206.933594 MB of memory in use. ENERGY: 2726400 736.2575 2069.2895 1940.3109 103.1576 -206695.5287 18039.0569 0.0000 0.0000 34422.5736 -149384.8827 300.6209 -183807.4563 -149285.2812 298.2821 116.3059 149.0627 557905.0142 3.1381 3.3454 PRESSURE: 2726600 -3.89623 -44.1411 57.9971 -44.141 -225.966 -105.994 57.9988 -105.993 -89.6772 GPRESSURE: 2726600 16.5402 -9.26715 42.4727 -48.671 -194.233 -119.146 -43.4189 -74.2362 -51.8444 PRESSAVG: 2726600 65.8551 -6.26562 10.4092 -6.26561 -43.1283 -34.7364 10.4091 -34.7365 -3.98504 GPRESSAVG: 2726600 68.0822 -7.00031 10.6655 -8.80301 -43.2954 -33.643 10.8731 -36.4924 -5.75653 TIMING: 2726600 CPU: 8130.98, 0.00295563/step Wall: 8130.98, 0.00295563/step, 1.86648 hours remaining, 206.933594 MB of memory in use. ENERGY: 2726600 708.6678 2102.4808 1919.4186 98.8336 -206309.9286 17746.7494 0.0000 0.0000 34478.5887 -149255.1898 301.1101 -183733.7785 -149154.8536 298.4965 -106.5132 -76.5123 557618.7481 6.2473 6.3434 PRESSURE: 2726800 -82.9095 48.8618 11.6776 48.8615 -116.158 102.618 11.6787 102.617 149.081 GPRESSURE: 2726800 -0.370715 4.74475 -5.65527 68.1753 -102.218 147.488 20.9184 -18.3499 178.817 PRESSAVG: 2726800 -35.0415 10.2883 -27.734 10.2883 41.2697 4.44587 -27.734 4.44589 6.85992 GPRESSAVG: 2726800 -36.6413 9.50201 -27.1915 12.4702 42.8494 5.64039 -27.3231 4.50806 7.4329 TIMING: 2726800 CPU: 8131.58, 0.00296451/step Wall: 8131.58, 0.00296451/step, 1.87193 hours remaining, 206.933594 MB of memory in use. ENERGY: 2726800 721.0953 2158.6660 1926.4550 117.3561 -206190.2674 17854.4199 0.0000 0.0000 34175.3948 -149236.8802 298.4622 -183412.2751 -149143.6173 299.0551 -16.6620 25.4095 557569.7558 4.3627 4.5470 PRESSURE: 2727000 -107.604 -197.773 -270.645 -197.772 -245.846 -0.552371 -270.643 -0.553103 10.5312 GPRESSURE: 2727000 -101.995 -239.352 -372.415 -174.995 -143.227 15.5855 -166.881 -4.10601 2.88391 PRESSAVG: 2727000 22.838 38.5179 18.033 38.5179 -32.6767 36.4351 18.0331 36.435 -7.15505 GPRESSAVG: 2727000 22.0754 38.7214 14.7705 38.8909 -31.5538 33.206 20.0384 38.0993 -7.27961 TIMING: 2727000 CPU: 8132.17, 0.00295188/step Wall: 8132.17, 0.00295188/step, 1.86378 hours remaining, 206.933594 MB of memory in use. ENERGY: 2727000 732.4204 2098.2519 1934.9272 109.6300 -206291.1961 17748.7111 0.0000 0.0000 34312.0230 -149355.2325 299.6554 -183667.2555 -149262.7155 298.4121 -114.3061 -80.7793 558303.8955 -5.6646 -5.5860 PRESSURE: 2727200 -237.881 -43.0154 -12.4706 -43.0146 -165.549 139.589 -12.4709 139.588 -182.847 GPRESSURE: 2727200 -202.715 -8.25984 -45.6789 -80.9494 -155.296 40.9159 37.9194 220.525 -132.064 PRESSAVG: 2727200 -23.5007 -34.1289 -12.402 -34.129 4.21817 5.94166 -12.4019 5.94166 56.6446 GPRESSAVG: 2727200 -21.1885 -34.2288 -8.67793 -33.8157 2.73676 7.58175 -14.0093 6.08049 55.2369 TIMING: 2727200 CPU: 8132.76, 0.002984/step Wall: 8132.76, 0.002984/step, 1.8839 hours remaining, 206.933594 MB of memory in use. ENERGY: 2727200 746.7517 2051.3535 1905.5620 105.3348 -206142.7224 17608.6654 0.0000 0.0000 34316.3658 -149408.6891 299.6934 -183725.0549 -149312.7647 299.3633 -195.4256 -163.3582 557539.9439 12.4540 12.2617 PRESSURE: 2727400 -44.1962 -64.7374 -32.3563 -64.7367 -139.737 22.4836 -32.3559 22.4833 -351.219 GPRESSURE: 2727400 -0.551221 -27.1365 -4.60487 -76.979 -142.001 132.794 -69.6058 -34.5575 -299.275 PRESSAVG: 2727400 -7.41256 15.5713 -30.3926 15.5713 64.6996 29.3391 -30.3926 29.339 -62.8658 GPRESSAVG: 2727400 -8.51585 16.7172 -32.3293 13.5894 64.3602 29.401 -29.2716 27.3707 -61.3858 TIMING: 2727400 CPU: 8133.36, 0.00296625/step Wall: 8133.36, 0.00296625/step, 1.87253 hours remaining, 206.933594 MB of memory in use. ENERGY: 2727400 767.1680 2071.7677 1951.3592 118.4823 -206115.3057 17707.7880 0.0000 0.0000 34082.8008 -149415.9398 297.6536 -183498.7405 -149318.3760 299.0201 -178.3841 -147.2757 556630.9531 -1.8596 -1.8472 PRESSURE: 2727600 -172.632 187.609 14.9259 187.609 196.936 -102.907 14.9266 -102.907 360.743 GPRESSURE: 2727600 -139.345 222.079 -47.1431 216.127 263.321 -123.853 23.5492 -83.9794 370.236 PRESSAVG: 2727600 41.3855 40.7328 33.7508 40.7327 -31.5589 8.62121 33.7508 8.6212 -20.1781 GPRESSAVG: 2727600 41.016 39.0627 35.3072 41.5178 -31.2218 8.46433 31.5631 8.3292 -19.9452 TIMING: 2727600 CPU: 8133.96, 0.00298603/step Wall: 8133.96, 0.00298603/step, 1.88485 hours remaining, 206.933594 MB of memory in use. ENERGY: 2727600 713.1378 2036.0489 1941.2814 115.8534 -206239.5456 17880.1210 0.0000 0.0000 34208.2076 -149344.8955 298.7488 -183553.1030 -149249.9089 298.7609 128.3491 164.7374 556859.7960 -3.4505 -3.3836 PRESSURE: 2727800 92.6654 5.22851 -82.4549 5.22795 -103.36 3.25159 -82.4537 3.25214 -143.303 GPRESSURE: 2727800 142.556 22.7092 -103.817 10.1877 -103.79 62.4436 -24.8693 -68.5309 -99.4642 PRESSAVG: 2727800 28.0728 -12.758 -2.45671 -12.7579 24.3023 31.4699 -2.45674 31.4698 -21.7433 GPRESSAVG: 2727800 27.0515 -13.4948 -3.26345 -11.5138 25.5972 29.4776 -3.42586 33.7562 -22.2935 TIMING: 2727800 CPU: 8134.55, 0.00297631/step Wall: 8134.55, 0.00297631/step, 1.87855 hours remaining, 206.933594 MB of memory in use. ENERGY: 2727800 761.9218 2076.3251 1953.4713 111.0068 -205917.8420 17575.0621 0.0000 0.0000 34080.0602 -149359.9947 297.6296 -183440.0549 -149258.8857 298.6599 -51.3325 -20.2326 557186.2814 10.2106 10.1184 PRESSURE: 2728000 91.4549 101.527 190.395 101.526 -97.3342 241.39 190.395 241.389 111.341 GPRESSURE: 2728000 93.7863 107.872 202.992 151.139 -52.4471 283.52 193.778 150.077 171.478 PRESSAVG: 2728000 67.2148 30.5955 -3.67819 30.5954 -38.1049 1.24327 -3.67819 1.24331 -31.5213 GPRESSAVG: 2728000 67.8516 32.7166 -3.75837 30.7433 -38.1059 2.11278 -2.30556 -0.469352 -32.0264 TIMING: 2728000 CPU: 8135.14, 0.00295076/step Wall: 8135.14, 0.00295076/step, 1.86226 hours remaining, 206.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2728000 759.0247 2060.8140 1924.1604 108.8807 -206404.2070 17917.4451 0.0000 0.0000 34372.8009 -149261.0812 300.1862 -183633.8821 -149155.4602 299.5083 35.1538 70.9391 556501.5359 -0.8038 -0.7602 PRESSURE: 2728200 -37.3234 0.681621 -70.0216 0.680713 99.5301 -46.0162 -70.0225 -46.0148 111.282 GPRESSURE: 2728200 -8.39599 58.796 -48.9622 -22.1063 150.995 8.33524 -72.384 -66.61 129.869 PRESSAVG: 2728200 -52.3835 16.1519 13.1526 16.1519 7.64859 9.01554 13.1526 9.0156 30.8903 GPRESSAVG: 2728200 -52.6071 14.9629 14.9687 14.5134 6.86304 13.3782 10.3795 8.3198 31.7023 TIMING: 2728200 CPU: 8135.73, 0.00295561/step Wall: 8135.73, 0.00295561/step, 1.86516 hours remaining, 206.933594 MB of memory in use. ENERGY: 2728200 724.1530 2090.9209 1937.5222 111.7058 -206412.0198 17885.8513 0.0000 0.0000 34142.7791 -149519.0875 298.1774 -183661.8666 -149424.1033 298.9625 57.8295 90.8226 556116.6708 -4.6149 -4.6806 LDB: ============= START OF LOAD BALANCING ============== 8139.28 LDB: ============== END OF LOAD BALANCING =============== 8139.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8139.28 LDB: ============= START OF LOAD BALANCING ============== 8139.58 LDB: Largest compute 4773 load 0.028765 is 24.3% of average load 0.118319 LDB: Average compute 0.001735 is 1.5% of average load 0.118319 LDB: TIME 8139.58 LOAD: AVG 0.118319 MAX 0.204618 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 8139.58 LOAD: AVG 0.118319 MAX 0.204618 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 8139.58 LOAD: AVG 0.118319 MAX 0.204618 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: ============== END OF LOAD BALANCING =============== 8139.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8139.59 PRESSURE: 2728400 250.518 -39.8586 78.2183 -39.8589 129.46 7.36304 78.2181 7.36146 186.263 GPRESSURE: 2728400 277.539 1.99435 63.7709 -0.209062 175.121 2.11245 84.3961 -35.0984 211.085 PRESSAVG: 2728400 28.8851 22.0162 -25.2687 22.0161 2.18897 -11.0923 -25.2687 -11.0922 39.8713 GPRESSAVG: 2728400 29.0872 21.9503 -23.4894 23.3658 2.23418 -12.0437 -26.6136 -9.76736 39.264 TIMING: 2728400 CPU: 8136.34, 0.00302897/step Wall: 8136.34, 0.00302897/step, 1.91128 hours remaining, 208.015625 MB of memory in use. ENERGY: 2728400 720.8132 2059.6978 1943.1141 117.6536 -206476.8938 17952.5990 0.0000 0.0000 34157.0722 -149525.9439 298.3022 -183683.0161 -149425.4829 298.2871 188.7469 221.2481 556165.8870 23.6485 23.5284 PRESSURE: 2728600 78.3444 30.6411 39.2653 30.6413 -259.668 -12.9157 39.2652 -12.9146 -112.106 GPRESSURE: 2728600 109.907 35.923 128.83 81.2585 -231.765 -70.2581 -37.6394 26.6107 -58.7872 PRESSAVG: 2728600 26.0124 -20.1633 39.9554 -20.1634 -9.44915 -34.887 39.9554 -34.887 5.83138 GPRESSAVG: 2728600 25.4227 -20.1736 36.0046 -18.4279 -8.27236 -36.6805 42.6329 -38.2135 5.1747 TIMING: 2728600 CPU: 8136.93, 0.00296525/step Wall: 8136.93, 0.00296525/step, 1.87091 hours remaining, 208.253906 MB of memory in use. ENERGY: 2728600 743.4976 2113.1760 1955.2681 123.0868 -206378.8375 17726.1007 0.0000 0.0000 34051.8284 -149665.8798 297.3831 -183717.7082 -149575.2510 297.8589 -97.8096 -60.2150 555795.1224 7.4649 7.4417 PRESSURE: 2728800 -82.0571 -45.4133 49.5998 -45.4142 -0.0715245 -63.9551 49.5997 -63.9557 279.78 GPRESSURE: 2728800 -66.1522 3.10419 75.5876 -40.6691 44.6298 -42.2425 48.2814 -59.9797 312.309 PRESSAVG: 2728800 -0.910039 -29.3982 56.1152 -29.3982 -24.8662 27.0113 56.1151 27.0113 31.114 GPRESSAVG: 2728800 -0.505562 -29.8229 56.9458 -29.4306 -24.9756 27.2817 57.0099 29.9147 30.514 TIMING: 2728800 CPU: 8137.52, 0.00293408/step Wall: 8137.52, 0.00293408/step, 1.85108 hours remaining, 208.343750 MB of memory in use. ENERGY: 2728800 777.1639 2081.9340 1923.9008 118.2380 -206962.7952 18129.8900 0.0000 0.0000 34322.3806 -149609.2879 299.7459 -183931.6685 -149509.5824 298.4105 65.8838 96.9289 556438.5748 1.7793 1.6776 PRESSURE: 2729000 -136.206 30.4372 225.358 30.4371 117.733 -114.539 225.359 -114.539 88.2675 GPRESSURE: 2729000 -51.2458 132.31 184.144 -0.513276 121.419 -24.5216 219.24 -93.1172 103.781 PRESSAVG: 2729000 -88.3845 -31.3313 18.2272 -31.3312 -10.2888 -12.1281 18.2272 -12.1282 132.41 GPRESSAVG: 2729000 -88.3492 -31.658 18.8717 -32.2509 -10.6086 -11.1826 17.8867 -12.9375 133.037 TIMING: 2729000 CPU: 8138.11, 0.0029553/step Wall: 8138.11, 0.00295531/step, 1.8643 hours remaining, 208.343750 MB of memory in use. ENERGY: 2729000 726.3641 2123.9430 1943.4489 125.7040 -206494.5634 17804.1764 0.0000 0.0000 34216.6663 -149554.2607 298.8227 -183770.9269 -149453.5626 298.4805 23.2650 57.9848 555365.1134 11.2457 11.3596 PRESSURE: 2729200 -152.163 19.8505 49.2577 19.8513 -82.1448 -45.1517 49.2582 -45.1506 -10.9154 GPRESSURE: 2729200 -121.696 -5.06579 -35.3433 17.9551 -86.9191 -72.242 121.601 81.3492 62.2083 PRESSAVG: 2729200 32.1566 51.609 78.8147 51.609 -60.6002 -67.3079 78.8146 -67.3078 11.4842 GPRESSAVG: 2729200 32.3487 52.5871 78.6012 53.4231 -61.0511 -68.6004 77.2381 -66.7042 11.9764 TIMING: 2729200 CPU: 8138.7, 0.00295723/step Wall: 8138.7, 0.00295723/step, 1.86535 hours remaining, 208.343750 MB of memory in use. ENERGY: 2729200 710.1870 2109.4044 1964.9624 111.8300 -206445.8735 17818.7844 0.0000 0.0000 34208.7962 -149521.9091 298.7539 -183730.7053 -149423.3543 298.3552 -81.7410 -48.8024 557938.4156 -5.6531 -5.5753 PRESSURE: 2729400 -144.241 36.8832 21.7549 36.8828 -268.77 64.0088 21.7534 64.0086 -259.471 GPRESSURE: 2729400 -93.5518 -51.6555 134.053 83.3795 -256.374 4.44211 17.5562 71.6751 -226.36 PRESSAVG: 2729400 51.7406 -13.6899 78.3182 -13.69 -72.6793 -18.3629 78.3181 -18.363 -16.4112 GPRESSAVG: 2729400 51.793 -14.4087 77.9913 -15.2247 -72.6203 -17.1769 79.1928 -19.0553 -16.4416 TIMING: 2729400 CPU: 8139.29, 0.00295844/step Wall: 8139.29, 0.00295844/step, 1.86595 hours remaining, 208.343750 MB of memory in use. ENERGY: 2729400 747.3138 2108.4572 1890.3511 114.4175 -206277.0082 17680.5400 0.0000 0.0000 34289.2000 -149446.7285 299.4561 -183735.9285 -149337.1682 298.6902 -224.1608 -192.0954 558119.2102 -12.4500 -12.4230 PRESSURE: 2729600 139.929 7.51659 88.3332 7.51795 -74.6395 -2.40551 88.3334 -2.40805 227.588 GPRESSURE: 2729600 202.609 85.1873 -33.0868 -117.133 12.3839 -0.635766 156.996 86.2386 181.278 PRESSAVG: 2729600 33.5095 -50.0024 14.3781 -50.0024 -5.12964 -6.49946 14.3781 -6.49931 -19.8409 GPRESSAVG: 2729600 33.002 -47.2072 13.858 -49.9854 -3.46517 -9.5364 14.7615 -3.83064 -21.1856 TIMING: 2729600 CPU: 8139.89, 0.00299128/step Wall: 8139.89, 0.00299128/step, 1.8865 hours remaining, 208.343750 MB of memory in use. ENERGY: 2729600 732.0664 2148.2454 1964.7020 115.4102 -206437.4957 18076.1258 0.0000 0.0000 34104.7856 -149296.1605 297.8456 -183400.9461 -149201.6098 298.0091 97.6261 132.0906 556601.1309 2.8463 2.7838 PRESSURE: 2729800 -176.284 -162.356 -4.36053 -162.356 -134.721 24.925 -4.36047 24.9251 -101.572 GPRESSURE: 2729800 -124.118 -162.728 25.3767 -133.125 -86.9199 36.4891 19.0169 -25.5205 -112.732 PRESSAVG: 2729800 20.7826 -39.0897 15.4252 -39.0897 -49.1459 -8.94171 15.4252 -8.9418 5.27841 GPRESSAVG: 2729800 20.7368 -40.4377 15.0659 -39.8783 -49.5317 -6.87231 14.4953 -11.472 5.96764 TIMING: 2729800 CPU: 8140.48, 0.00297204/step Wall: 8140.48, 0.00297204/step, 1.8742 hours remaining, 208.343750 MB of memory in use. ENERGY: 2729800 759.1358 2071.3777 1935.7155 107.7512 -205894.5126 17510.4534 0.0000 0.0000 34205.7492 -149304.3298 298.7273 -183510.0790 -149198.9839 298.8435 -137.5256 -107.9235 556202.7371 -7.6950 -7.6091 PRESSURE: 2730000 47.1392 53.7649 -18.9292 53.765 133.168 55.1059 -18.9277 55.1061 -94.1105 GPRESSURE: 2730000 36.1998 41.866 65.6391 69.0641 162.016 -87.0474 -77.1555 98.9388 -2.72672 PRESSAVG: 2730000 30.499 15.1566 16.0442 15.1566 -35.5921 -12.1999 16.0442 -12.1997 -15.7454 GPRESSAVG: 2730000 31.1017 14.038 18.2798 15.8164 -35.1456 -12.6387 14.9003 -11.9997 -15.959 TIMING: 2730000 CPU: 8141.07, 0.00294303/step Wall: 8141.07, 0.00294303/step, 1.85574 hours remaining, 208.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2730000 762.1328 2076.0060 1933.9536 110.9959 -206622.5572 17827.0565 0.0000 0.0000 34604.1002 -149308.3122 302.2062 -183912.4124 -149210.4160 299.3103 28.7323 65.1632 554579.1801 -6.9462 -6.6676 PRESSURE: 2730200 153.704 0.0532023 60.5283 0.0538173 96.1503 -82.3634 60.5294 -82.3616 -25.6554 GPRESSURE: 2730200 173.498 1.43555 99.7311 17.3574 128.483 -53.8814 66.3742 -116.335 16.8778 PRESSAVG: 2730200 0.71167 -32.5253 -17.7857 -32.5253 -7.91384 36.2113 -17.7857 36.2113 12.8268 GPRESSAVG: 2730200 0.433364 -31.7359 -19.9124 -31.5017 -8.02699 35.902 -17.6233 38.5234 13.4864 TIMING: 2730200 CPU: 8141.67, 0.00296245/step Wall: 8141.67, 0.00296245/step, 1.86782 hours remaining, 208.343750 MB of memory in use. ENERGY: 2730200 748.8277 2119.8813 1934.8723 116.1079 -206172.0291 17802.3959 0.0000 0.0000 34062.1607 -149387.7832 297.4733 -183449.9440 -149292.4254 299.7424 74.7331 106.2863 556333.2256 1.8749 1.9643 PRESSURE: 2730400 278.496 197.507 -69.3045 197.509 -88.9938 -30.324 -69.3028 -30.3247 64.6804 GPRESSURE: 2730400 308.555 173.149 -4.47823 171.356 -46.5134 13.1328 -37.1148 -30.7575 83.3238 PRESSAVG: 2730400 4.16586 47.8812 42.2507 47.8812 7.81387 -1.47821 42.2508 -1.47826 -17.3352 GPRESSAVG: 2730400 5.21044 49.2213 42.7419 45.0579 7.36371 -0.0980774 42.5689 -4.46047 -18.4539 TIMING: 2730400 CPU: 8142.26, 0.00295663/step Wall: 8142.26, 0.00295663/step, 1.86399 hours remaining, 208.343750 MB of memory in use. ENERGY: 2730400 753.4832 2178.9872 1931.8531 98.8302 -206661.1623 18041.9914 0.0000 0.0000 34207.4534 -149448.5637 298.7422 -183656.0172 -149352.6374 298.3663 84.7274 115.1218 556264.0319 -1.7852 -1.9599 PRESSURE: 2730600 132.126 -6.43422 59.7606 -6.4356 155.622 -45.2898 59.7611 -45.2889 -181.083 GPRESSURE: 2730600 174.838 -24.7878 150.779 -80.7992 109.342 13.1489 65.6686 -43.1788 -95.3455 PRESSAVG: 2730600 90.2624 -9.25387 25.1491 -9.25381 -15.0191 41.6773 25.149 41.6773 -58.0905 GPRESSAVG: 2730600 89.3602 -12.8167 26.8239 -5.9225 -15.1945 39.3776 24.3942 41.8977 -56.9316 TIMING: 2730600 CPU: 8142.85, 0.00297282/step Wall: 8142.85, 0.00297282/step, 1.87403 hours remaining, 208.343750 MB of memory in use. ENERGY: 2730600 760.2558 2090.7341 1925.4937 118.3841 -206860.8145 17906.2689 0.0000 0.0000 34474.6684 -149585.0095 301.0759 -184059.6779 -149496.9738 298.4012 35.5549 62.9450 556365.7099 5.7176 5.7447 PRESSURE: 2730800 -225.914 135.759 -164.495 135.758 -91.6808 33.8622 -164.495 33.8607 143.316 GPRESSURE: 2730800 -170.129 137.631 -106.811 84.469 -70.6167 94.187 -254.919 12.1012 183.089 PRESSAVG: 2730800 -8.65103 1.9701 8.52373 1.97013 44.865 35.1237 8.52374 35.1238 -31.6924 GPRESSAVG: 2730800 -7.93407 4.10833 6.95804 0.377102 45.2998 37.1224 9.71326 34.2181 -32.4431 TIMING: 2730800 CPU: 8143.45, 0.00298386/step Wall: 8143.45, 0.00298386/step, 1.88083 hours remaining, 208.343750 MB of memory in use. ENERGY: 2730800 727.8766 2045.0561 1923.4904 119.8548 -206032.0200 17670.6272 0.0000 0.0000 34053.7681 -149491.3467 297.4000 -183545.1149 -149388.1000 298.6756 -58.0928 -19.2189 557596.6970 1.5072 1.6409 PRESSURE: 2731000 144.564 43.7968 80.0938 43.797 -92.9994 -24.8728 80.0948 -24.872 -107.506 GPRESSURE: 2731000 214.309 95.3473 54.3259 39.3868 -101.874 29.6649 56.0575 42.8183 -73.4769 PRESSAVG: 2731000 59.1372 -21.0352 25.3989 -21.0352 -62.9925 -4.31563 25.3988 -4.31573 -24.7546 GPRESSAVG: 2731000 59.1268 -19.5352 25.6574 -21.6599 -62.7156 -4.7609 24.9954 -2.22068 -25.0934 TIMING: 2731000 CPU: 8144.04, 0.00296749/step Wall: 8144.04, 0.00296749/step, 1.87034 hours remaining, 208.343750 MB of memory in use. ENERGY: 2731000 740.1541 2114.6115 1949.0711 114.2542 -206600.4626 17822.8577 0.0000 0.0000 34365.5650 -149493.9489 300.1230 -183859.5139 -149397.4029 298.5253 -18.6474 12.9862 557030.3426 -9.5366 -9.5607 PRESSURE: 2731200 -59.2698 -42.8071 -103.065 -42.8084 64.3292 -25.0062 -103.065 -25.0052 41.1954 GPRESSURE: 2731200 -7.68113 -60.561 -44.4167 -2.76921 53.4171 4.33878 -111.696 -23.5872 95.1289 PRESSAVG: 2731200 8.73114 -76.3095 -6.53967 -76.3096 18.5557 15.4517 -6.53968 15.4517 -14.4059 GPRESSAVG: 2731200 7.89013 -75.9017 -7.63444 -77.6672 18.8497 14.9519 -6.10795 14.4395 -13.8936 TIMING: 2731200 CPU: 8144.64, 0.00298132/step Wall: 8144.64, 0.00298132/step, 1.87889 hours remaining, 208.343750 MB of memory in use. ENERGY: 2731200 703.0916 2018.1922 1906.7811 103.4902 -206322.8164 17858.9148 0.0000 0.0000 34188.0794 -149544.2671 298.5730 -183732.3465 -149448.2106 298.2696 15.4183 46.9549 558575.5771 4.2936 4.2821 PRESSURE: 2731400 -297.165 76.9444 24.4668 76.9446 -65.4979 -77.174 24.4668 -77.174 -124.036 GPRESSURE: 2731400 -204.055 -110.364 108.379 150.286 -14.7005 -39.171 -69.1098 -72.0543 -171.22 PRESSAVG: 2731400 -29.8556 7.29712 1.9978 7.29719 53.8908 -5.64457 1.99772 -5.64462 -34.1813 GPRESSAVG: 2731400 -29.3381 4.28267 4.19465 10.4511 52.8662 -6.34779 1.48594 -5.51463 -33.9566 TIMING: 2731400 CPU: 8145.23, 0.00296018/step Wall: 8145.23, 0.00296018/step, 1.86541 hours remaining, 208.343750 MB of memory in use. ENERGY: 2731400 716.4644 2085.1663 1962.7469 120.8200 -206110.2398 17606.0080 0.0000 0.0000 34172.2282 -149446.8061 298.4346 -183619.0342 -149349.2104 298.7128 -162.2330 -129.9919 557479.2684 -3.3820 -3.4762 PRESSURE: 2731600 75.3399 56.2942 6.02272 56.2939 -106.485 121.951 6.02359 121.952 -130.129 GPRESSURE: 2731600 109.707 39.0908 -120.307 16.3667 -57.6087 -9.2212 23.9193 135.563 -121.996 PRESSAVG: 2731600 -36.3465 29.178 -45.349 29.1779 10.3872 21.3069 -45.349 21.3068 -7.97308 GPRESSAVG: 2731600 -36.4577 32.1427 -47.0398 28.9369 12.1689 21.3174 -43.654 20.4654 -8.99175 TIMING: 2731600 CPU: 8145.82, 0.0029512/step Wall: 8145.82, 0.0029512/step, 1.85958 hours remaining, 208.343750 MB of memory in use. ENERGY: 2731600 711.5899 2108.5546 1921.0153 100.3322 -206117.8435 17779.0910 0.0000 0.0000 34115.1720 -149382.0885 297.9363 -183497.2605 -149284.2277 298.9033 -53.7580 -23.2991 557361.3623 -11.3108 -11.0935 PRESSURE: 2731800 -110.224 114.502 160.309 114.501 -297.78 108.818 160.309 108.818 -117.863 GPRESSURE: 2731800 -72.9683 131.111 144.023 94.3816 -257.273 119.735 119.58 155.006 -103.788 PRESSAVG: 2731800 -29.0022 48.9885 49.524 48.9886 11.0421 56.4953 49.524 56.4952 10.5414 GPRESSAVG: 2731800 -29.7237 48.2513 49.1624 47.3321 10.7938 58.4738 48.9264 55.7885 11.02 TIMING: 2731800 CPU: 8146.41, 0.00296106/step Wall: 8146.41, 0.00296106/step, 1.86563 hours remaining, 208.343750 MB of memory in use. ENERGY: 2731800 758.6440 2087.8001 1912.4370 109.2441 -206170.4395 17612.9214 0.0000 0.0000 34389.4835 -149299.9092 300.3319 -183689.3928 -149203.3130 299.3020 -175.2889 -144.6763 556372.8180 -2.4729 -2.6366 PRESSURE: 2732000 -277.913 -99.0572 3.28229 -99.0562 -200.236 109.629 3.28208 109.631 -29.7444 GPRESSURE: 2732000 -184.734 -74.836 19.4329 -89.5251 -202.943 113.786 -18.3825 42.7939 -11.906 PRESSAVG: 2732000 2.24696 -18.1252 -36.8824 -18.1253 8.29322 36.9317 -36.8823 36.9317 26.4886 GPRESSAVG: 2732000 2.75845 -16.589 -35.2163 -19.4993 7.67591 35.9386 -38.1128 37.5973 27.0284 TIMING: 2732000 CPU: 8147.01, 0.00297202/step Wall: 8147.01, 0.00297202/step, 1.87237 hours remaining, 208.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2732000 746.3975 2086.3154 1919.0634 105.0418 -206143.3839 17686.9969 0.0000 0.0000 34147.1758 -149452.3930 298.2158 -183599.5689 -149360.5294 299.6177 -169.2978 -133.1942 557570.2709 12.3429 12.4876 PRESSURE: 2732200 -89.3857 -3.06473 -40.4948 -3.06432 49.881 30.1473 -40.4948 30.1457 -6.60715 GPRESSURE: 2732200 -76.7725 16.9727 -73.2489 -94.313 65.4351 45.6733 -8.35896 1.08442 55.7256 PRESSAVG: 2732200 -64.695 24.7356 1.03445 24.7356 41.9239 25.4544 1.03444 25.4544 -1.47576 GPRESSAVG: 2732200 -66.0058 23.5841 -0.860828 27.6863 42.7849 26.46 2.62919 25.1873 -0.765737 TIMING: 2732200 CPU: 8147.6, 0.00296626/step Wall: 8147.6, 0.00296626/step, 1.86858 hours remaining, 208.343750 MB of memory in use. ENERGY: 2732200 703.2214 2073.1281 1914.9881 119.2304 -206145.5192 17686.2124 0.0000 0.0000 34339.8055 -149308.9333 299.8981 -183648.7387 -149210.3803 299.1872 -15.3706 14.7961 557872.6727 -8.0823 -7.9955 LDB: ============= START OF LOAD BALANCING ============== 8151.14 LDB: ============== END OF LOAD BALANCING =============== 8151.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8151.15 LDB: ============= START OF LOAD BALANCING ============== 8151.44 LDB: Largest compute 4773 load 0.026836 is 22.7% of average load 0.118276 LDB: Average compute 0.001739 is 1.5% of average load 0.118276 LDB: TIME 8151.44 LOAD: AVG 0.118276 MAX 0.203492 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.793 MB LDB: TIME 8151.44 LOAD: AVG 0.118276 MAX 0.203492 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.801 MB LDB: TIME 8151.44 LOAD: AVG 0.118276 MAX 0.203492 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.801 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8151.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8151.45 PRESSURE: 2732400 -31.0526 -62.9346 -113.153 -62.9355 46.9025 80.6159 -113.153 80.6153 24.1989 GPRESSURE: 2732400 0.233472 -129.599 -108.405 -39.6088 73.879 159.036 -32.3769 0.381942 68.0098 PRESSAVG: 2732400 -27.4603 -19.1066 -34.4852 -19.1066 36.7033 16.4639 -34.4853 16.4638 -22.4546 GPRESSAVG: 2732400 -26.3025 -18.7801 -33.2181 -22.9338 35.7706 15.8523 -36.7255 16.9986 -23.4497 TIMING: 2732400 CPU: 8148.2, 0.00300142/step Wall: 8148.2, 0.00300142/step, 1.89056 hours remaining, 206.535156 MB of memory in use. ENERGY: 2732400 741.7896 2059.5809 1922.8478 105.7498 -206669.0039 17999.1846 0.0000 0.0000 34463.8902 -149375.9610 300.9817 -183839.8512 -149284.9528 299.2568 13.3496 47.3741 556296.1491 -4.4039 -4.6605 PRESSURE: 2732600 212.619 8.36962 60.6692 8.3713 268.492 -151.435 60.6682 -151.436 5.71092 GPRESSURE: 2732600 188.321 -29.7713 82.6265 76.0119 333.78 -94.919 73.2295 -130.943 59.4851 PRESSAVG: 2732600 -38.9067 -24.1177 5.63968 -24.1177 22.54 19.9876 5.63971 19.9876 17.4219 GPRESSAVG: 2732600 -39.7295 -23.3202 5.30457 -21.7615 23.0338 20.4787 7.30664 18.9291 17.4369 TIMING: 2732600 CPU: 8148.8, 0.00297487/step Wall: 8148.8, 0.00297487/step, 1.87367 hours remaining, 206.535156 MB of memory in use. ENERGY: 2732600 725.6789 2152.0374 1931.0040 104.0141 -206288.4190 17884.1551 0.0000 0.0000 34091.1507 -149400.3787 297.7265 -183491.5294 -149311.0745 299.3293 162.2741 193.8620 556403.6479 0.3517 0.2471 PRESSURE: 2732800 42.3544 95.5553 125.334 95.5548 -88.3867 85.5298 125.333 85.5294 -327.94 GPRESSURE: 2732800 59.343 181.229 144.904 44.3768 -57.3105 42.6987 221.42 25.4494 -286.463 PRESSAVG: 2732800 68.7951 62.2065 40.7803 62.2066 58.1951 -25.9272 40.7803 -25.9273 -118.116 GPRESSAVG: 2732800 68.191 61.2734 41.2433 61.8398 58.0787 -27.3904 41.4342 -25.0799 -118.067 TIMING: 2732800 CPU: 8149.39, 0.00297075/step Wall: 8149.39, 0.00297075/step, 1.87091 hours remaining, 206.535156 MB of memory in use. ENERGY: 2732800 738.6486 2132.4017 1942.5387 113.7143 -206071.6238 17600.3285 0.0000 0.0000 34123.8678 -149420.1243 298.0122 -183543.9920 -149323.1995 298.7212 -124.6575 -94.8103 557566.4993 2.9582 2.7343 PRESSURE: 2733000 -217.705 -69.1431 138.58 -69.1432 -196.336 180.213 138.581 180.21 -204.898 GPRESSURE: 2733000 -236.059 -40.801 124.839 11.6432 -186.707 272.454 188.024 189.18 -93.4203 PRESSAVG: 2733000 -0.884955 4.35725 10.3605 4.35725 62.1337 33.8578 10.3604 33.8577 -45.9716 GPRESSAVG: 2733000 -1.00466 5.33968 9.83313 3.51116 62.9924 32.479 10.2287 34.6457 -46.0892 TIMING: 2733000 CPU: 8149.98, 0.00297165/step Wall: 8149.98, 0.00297165/step, 1.87131 hours remaining, 206.535156 MB of memory in use. ENERGY: 2733000 782.8480 2138.4495 1941.9282 108.9135 -206348.3045 17651.8054 0.0000 0.0000 34244.7585 -149479.6014 299.0680 -183724.3599 -149381.6592 299.0247 -206.3127 -172.0622 556360.2294 5.0924 5.2995 PRESSURE: 2733200 3.62888 74.9752 -75.8327 74.9749 -59.6087 53.5594 -75.8322 53.5602 43.5127 GPRESSURE: 2733200 44.3216 95.6923 -86.3974 124.027 -66.8157 65.2203 -8.21379 36.8884 98.8777 PRESSAVG: 2733200 -16.7434 63.6806 31.9389 63.6806 -11.9657 73.4494 31.939 73.4495 14.616 GPRESSAVG: 2733200 -16.5186 62.542 32.4949 65.878 -13.0429 75.9186 29.7134 72.2207 15.7243 TIMING: 2733200 CPU: 8150.58, 0.00296362/step Wall: 8150.58, 0.00296362/step, 1.86609 hours remaining, 206.535156 MB of memory in use. ENERGY: 2733200 781.8212 2071.7740 1931.0347 116.3160 -206702.1165 17934.1802 0.0000 0.0000 34149.2794 -149717.7110 298.2342 -183866.9904 -149618.1991 298.5720 -4.1557 25.4612 555634.3242 -4.6977 -4.6124 PRESSURE: 2733400 -162.028 -39.4269 -130.716 -39.4287 -339.788 -2.6643 -130.716 -2.66572 5.83015 GPRESSURE: 2733400 -160.18 27.437 -141.328 -65.7247 -308.957 72.1046 -154.536 -6.48976 59.932 PRESSAVG: 2733400 -66.066 12.4553 22.7083 12.4553 1.26885 33.0001 22.7083 33.0002 85.2008 GPRESSAVG: 2733400 -65.5698 11.8801 21.2982 11.3893 1.55109 33.0837 23.8618 33.3285 84.7891 TIMING: 2733400 CPU: 8151.17, 0.0029521/step Wall: 8151.17, 0.0029521/step, 1.85868 hours remaining, 206.535156 MB of memory in use. ENERGY: 2733400 800.3259 2103.6356 1959.9344 108.1557 -206320.5978 17681.1175 0.0000 0.0000 33999.1987 -149668.2301 296.9235 -183667.4287 -149567.0551 298.4218 -165.3287 -136.4017 555963.6295 6.8012 6.9235 PRESSURE: 2733600 201.82 -59.2345 -33.864 -59.2352 -313.821 143.843 -33.8625 143.842 -45.6097 GPRESSURE: 2733600 190.015 22.8589 -31.9089 -43.0414 -250.365 178.702 1.31986 98.4367 4.17195 PRESSAVG: 2733600 7.73233 -8.02376 54.4803 -8.02368 -20.5175 63.2146 54.4804 63.2145 -8.51837 GPRESSAVG: 2733600 7.74262 -9.43202 55.0758 -6.56278 -20.9158 62.4515 55.483 62.6876 -7.80516 TIMING: 2733600 CPU: 8151.76, 0.00296967/step Wall: 8151.76, 0.00296967/step, 1.86957 hours remaining, 206.535156 MB of memory in use. ENERGY: 2733600 775.3767 2056.9884 1925.7047 123.0089 -206455.2583 17689.2389 0.0000 0.0000 34110.1176 -149774.8231 297.8921 -183884.9406 -149675.9652 298.6472 -52.5370 -18.7259 555115.7993 -7.1012 -6.9928 PRESSURE: 2733800 -227.61 -7.12898 105.324 -7.12963 -101.549 104.379 105.326 104.377 -25.9338 GPRESSURE: 2733800 -107.629 64.0374 94.9287 -58.805 -76.6177 94.2409 66.8561 123.1 -69.25 PRESSAVG: 2733800 36.3631 16.362 76.8336 16.3619 -7.42941 63.1957 76.8337 63.1956 13.3277 GPRESSAVG: 2733800 35.5759 16.3387 76.0112 16.8734 -6.37006 64.9586 75.3994 62.0097 12.9292 TIMING: 2733800 CPU: 8152.35, 0.0029691/step Wall: 8152.35, 0.0029691/step, 1.86905 hours remaining, 206.535156 MB of memory in use. ENERGY: 2733800 781.1810 2090.3758 1927.1125 117.8813 -206630.2364 17869.3900 0.0000 0.0000 34055.8328 -149788.4629 297.4181 -183844.2957 -149690.0571 298.4476 -118.3642 -84.4991 556106.8253 14.0871 14.0450 PRESSURE: 2734000 112.644 -15.9528 -117.652 -15.9526 22.8223 169.583 -117.651 169.584 -46.9277 GPRESSURE: 2734000 162.444 -72.3181 -44.8305 -54.8521 62.949 35.4175 -49.2089 151.201 -38.5969 PRESSAVG: 2734000 -73.3757 -8.22536 -25.6492 -8.22546 -28.0895 62.0736 -25.6492 62.0737 67.7194 GPRESSAVG: 2734000 -72.6856 -8.92838 -23.6927 -9.98359 -28.8315 60.7213 -25.6663 61.6962 68.1025 TIMING: 2734000 CPU: 8152.95, 0.00296463/step Wall: 8152.95, 0.00296463/step, 1.86607 hours remaining, 206.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2734000 734.0884 2138.3121 1943.7410 129.8976 -206498.3239 17678.0613 0.0000 0.0000 34303.5878 -149570.6355 299.5818 -183874.2234 -149474.4822 297.7120 29.5129 62.2653 554158.0372 -11.2486 -11.1382 PRESSURE: 2734200 74.4838 46.8838 -79.9104 46.8839 47.9388 -0.245298 -79.9117 -0.245014 -36.3076 GPRESSURE: 2734200 77.0568 69.4687 -52.2317 45.7885 71.2901 -169.672 -149.073 -25.1815 33.2675 PRESSAVG: 2734200 38.9602 -13.3725 11.3449 -13.3725 -62.8564 28.7285 11.3449 28.7285 -12.3788 GPRESSAVG: 2734200 38.3768 -11.4455 9.41516 -14.2187 -61.509 27.3686 11.6697 28.5958 -13.262 TIMING: 2734200 CPU: 8153.54, 0.00294432/step Wall: 8153.54, 0.00294432/step, 1.85312 hours remaining, 206.535156 MB of memory in use. ENERGY: 2734200 757.7432 2121.9104 1928.9903 111.0240 -206532.0908 17819.7898 0.0000 0.0000 34372.7317 -149419.9014 300.1856 -183792.6331 -149325.3754 298.7499 28.7050 60.5381 555710.6883 -12.0917 -12.1314 PRESSURE: 2734400 73.5549 28.2608 80.3893 28.2597 -66.6509 23.354 80.3907 23.3545 -19.0548 GPRESSURE: 2734400 112.542 18.3921 -24.4919 -2.36442 -33.1859 -11.0651 41.6275 68.0318 8.96827 PRESSAVG: 2734400 -3.58878 41.646 -3.4159 41.646 18.5681 -25.5441 -3.41588 -25.544 -9.00724 GPRESSAVG: 2734400 -2.5088 40.4452 -4.26748 41.5149 17.646 -22.7975 -2.95476 -24.1067 -9.29622 TIMING: 2734400 CPU: 8154.13, 0.00295851/step Wall: 8154.13, 0.00295851/step, 1.86189 hours remaining, 206.535156 MB of memory in use. ENERGY: 2734400 751.6907 2070.3235 1955.6478 118.7848 -206033.5314 17708.4416 0.0000 0.0000 34020.5866 -149408.0564 297.1102 -183428.6431 -149310.4069 298.5711 -4.0503 29.4414 557710.3656 1.9907 1.9470 PRESSURE: 2734600 -50.5295 152.113 109.885 152.114 -40.8951 -16.487 109.885 -16.4879 -54.539 GPRESSURE: 2734600 -24.794 158.337 87.2252 122.775 -29.4336 -14.3551 116.695 10.535 9.87927 PRESSAVG: 2734600 -4.89629 35.4756 62.8088 35.4757 -16.4841 -59.8984 62.8089 -59.8984 20.9701 GPRESSAVG: 2734600 -5.85306 37.3319 63.2166 33.8008 -17.3484 -61.5495 61.8272 -60.2997 22.7345 TIMING: 2734600 CPU: 8154.72, 0.00297798/step Wall: 8154.72, 0.00297798/step, 1.87398 hours remaining, 206.535156 MB of memory in use. ENERGY: 2734600 716.5912 2121.5103 1907.8630 107.7475 -206551.8994 18031.5593 0.0000 0.0000 34279.9269 -149386.7011 299.3751 -183666.6281 -149285.3162 298.7936 -48.6545 -14.7828 558904.2910 -0.1368 -0.1556 PRESSURE: 2734800 29.1135 -6.90532 -63.5157 -6.90581 -81.2758 132.568 -63.5158 132.567 -107.439 GPRESSURE: 2734800 133.904 80.9465 -56.608 -14.2259 -102.414 77.6117 7.28063 84.7263 -105.175 PRESSAVG: 2734800 -38.902 7.16785 50.0587 7.16783 -27.2119 -28.6495 50.0587 -28.6495 34.2746 GPRESSAVG: 2734800 -39.0749 8.57045 50.8474 9.22603 -25.2561 -27.7359 50.3528 -28.8086 32.7785 TIMING: 2734800 CPU: 8155.32, 0.00298027/step Wall: 8155.32, 0.00298027/step, 1.87525 hours remaining, 206.535156 MB of memory in use. ENERGY: 2734800 747.5041 2134.9722 1943.6804 114.3618 -206253.7908 17897.1071 0.0000 0.0000 34262.0844 -149154.0808 299.2193 -183416.1651 -149053.2862 299.1025 -53.2003 -24.5616 557544.8605 -10.6131 -10.5175 PRESSURE: 2735000 8.05709 226.796 162.645 226.796 -181.559 -160.896 162.645 -160.897 105.212 GPRESSURE: 2735000 56.7201 259.157 162.407 189.124 -115.187 -258.692 123.098 -159.313 89.4817 PRESSAVG: 2735000 11.2441 22.3694 75.6001 22.3694 -35.3508 -35.3695 75.6002 -35.3694 45.9007 GPRESSAVG: 2735000 12.1766 20.3026 77.3144 23.093 -36.2694 -36.3301 74.9484 -34.5475 45.6008 TIMING: 2735000 CPU: 8155.91, 0.00297007/step Wall: 8155.91, 0.00297007/step, 1.86867 hours remaining, 206.535156 MB of memory in use. ENERGY: 2735000 781.0819 2134.2434 1948.7955 121.0754 -206111.9445 17862.8140 0.0000 0.0000 34232.6465 -149031.2878 298.9622 -183263.9343 -148934.4805 299.8304 -22.7632 10.3383 557397.3870 7.2647 7.1693 PRESSURE: 2735200 -213.553 93.0926 46.627 93.0933 -382.282 -22.8918 46.6267 -22.8914 -211.37 GPRESSURE: 2735200 -229.851 112.407 28.0762 112.354 -353.832 -17.451 93.9219 24.1717 -141.013 PRESSAVG: 2735200 -6.39483 69.8236 56.4576 69.8236 -42.4984 -20.5737 56.4578 -20.5737 41.4206 GPRESSAVG: 2735200 -6.60694 70.9611 57.0398 70.731 -42.6581 -22.3966 56.2687 -21.2712 42.1857 TIMING: 2735200 CPU: 8156.51, 0.0029994/step Wall: 8156.51, 0.0029994/step, 1.88696 hours remaining, 206.535156 MB of memory in use. ENERGY: 2735200 714.2595 2132.0405 1931.6805 115.9536 -205639.5408 17408.9895 0.0000 0.0000 34317.5264 -149019.0910 299.7035 -183336.6173 -148919.8817 299.6571 -269.0684 -241.5652 558620.7111 -2.4909 -2.3598 PRESSURE: 2735400 -140.628 5.23377 33.4019 5.23337 156.472 -23.3813 33.4019 -23.3824 34.0288 GPRESSURE: 2735400 -135.953 -7.95083 49.3694 64.8099 199.518 39.9465 15.6659 -124.17 79.8628 PRESSAVG: 2735400 -54.2712 30.0493 -0.881174 30.0494 -10.6758 2.77048 -0.88118 2.77038 79.2274 GPRESSAVG: 2735400 -52.8943 28.8815 -1.13404 29.6942 -11.0241 5.15189 -2.18277 2.43486 77.9978 TIMING: 2735400 CPU: 8157.11, 0.0029889/step Wall: 8157.11, 0.0029889/step, 1.88018 hours remaining, 206.535156 MB of memory in use. ENERGY: 2735400 717.1292 2107.2523 1936.8152 116.1111 -205846.5775 17723.5010 0.0000 0.0000 34252.3092 -148993.4596 299.1339 -183245.7688 -148894.7863 299.3024 16.6245 47.8094 556809.0511 4.7601 4.6931 PRESSURE: 2735600 58.6038 -86.2662 168.09 -86.2669 65.4737 66.6232 168.09 66.6208 -37.1923 GPRESSURE: 2735600 108.021 -17.4043 222.643 -133.95 135.709 13.6908 125.511 142.62 -70.0075 PRESSAVG: 2735600 -28.6525 6.4416 43.6529 6.44162 6.5427 -47.2726 43.653 -47.2727 -5.10081 GPRESSAVG: 2735600 -31.2559 7.36403 44.4845 5.16625 8.81661 -49.5173 45.0502 -45.817 -5.20973 TIMING: 2735600 CPU: 8157.7, 0.00296333/step Wall: 8157.7, 0.00296333/step, 1.86394 hours remaining, 206.535156 MB of memory in use. ENERGY: 2735600 777.0880 2077.8615 1924.9160 113.8388 -205628.4920 17517.2335 0.0000 0.0000 34318.3205 -148899.2335 299.7104 -183217.5540 -148803.9434 299.3126 28.9617 57.9073 555497.1235 -9.0702 -9.2163 PRESSURE: 2735800 -22.8686 -117.254 147.319 -117.253 194.878 4.82989 147.321 4.82875 520.852 GPRESSURE: 2735800 37.2377 -8.97035 77.2624 -206.915 168.605 53.5327 223.839 48.4824 580.039 PRESSAVG: 2735800 29.1999 -54.5973 -4.20137 -54.5972 9.64134 -12.5734 -4.20146 -12.5736 -17.3637 GPRESSAVG: 2735800 30.4525 -53.6871 -5.28295 -54.2641 8.07855 -9.28697 -2.04062 -12.8527 -17.2199 TIMING: 2735800 CPU: 8158.3, 0.00297393/step Wall: 8158.3, 0.00297393/step, 1.87044 hours remaining, 206.535156 MB of memory in use. ENERGY: 2735800 744.1025 2107.7430 1971.2995 105.7400 -206110.5238 18008.6135 0.0000 0.0000 34267.9784 -148905.0469 299.2708 -183173.0254 -148803.0477 300.8366 230.9539 261.9605 555657.6019 7.1592 7.1037 PRESSURE: 2736000 27.153 -120.492 93.832 -120.492 103.138 165.794 93.8311 165.795 -318.725 GPRESSURE: 2736000 75.792 -109.959 101.956 -67.9792 143.615 107.479 59.0093 221.522 -296.413 PRESSAVG: 2736000 0.256534 -63.0889 21.4204 -63.0889 56.3311 -1.06607 21.4203 -1.06604 -46.6288 GPRESSAVG: 2736000 -0.372224 -65.9653 21.8008 -60.8023 57.0245 -3.30142 19.9191 -3.38727 -46.3062 TIMING: 2736000 CPU: 8158.89, 0.00296442/step Wall: 8158.89, 0.00296442/step, 1.86429 hours remaining, 206.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2736000 732.6644 2136.5204 1936.4086 113.0014 -205376.2375 17285.1457 0.0000 0.0000 34333.1244 -148839.3726 299.8397 -183172.4970 -148739.4956 300.6356 -62.8113 -25.6689 556908.1778 3.3196 3.4487 PRESSURE: 2736200 -84.345 -18.7897 -15.0648 -18.7888 -159.655 -40.3063 -15.0634 -40.3065 -136.166 GPRESSURE: 2736200 -88.4525 -4.08342 62.7935 4.49828 -124.539 2.69643 -90.3879 -34.9338 -77.8462 PRESSAVG: 2736200 -19.1233 10.5426 23.3375 10.5426 3.55113 -11.8209 23.3375 -11.8209 47.9122 GPRESSAVG: 2736200 -18.8268 12.5941 20.5675 7.68516 3.04134 -9.58272 24.8026 -10.139 47.784 TIMING: 2736200 CPU: 8159.48, 0.0029581/step Wall: 8159.48, 0.0029581/step, 1.86015 hours remaining, 206.535156 MB of memory in use. ENERGY: 2736200 742.8344 2104.4031 1961.5648 121.6686 -205723.5585 17522.5572 0.0000 0.0000 34483.6115 -148786.9189 301.1540 -183270.5304 -148693.3871 300.2384 -126.7219 -96.9458 557603.7177 10.7800 10.6662 LDB: ============= START OF LOAD BALANCING ============== 8163.03 LDB: ============== END OF LOAD BALANCING =============== 8163.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8163.03 LDB: ============= START OF LOAD BALANCING ============== 8163.33 LDB: Largest compute 4773 load 0.027215 is 23.0% of average load 0.118211 LDB: Average compute 0.001754 is 1.5% of average load 0.118211 LDB: TIME 8163.33 LOAD: AVG 0.118211 MAX 0.204297 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.023 MB LDB: TIME 8163.33 LOAD: AVG 0.118211 MAX 0.204297 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.023 MB LDB: TIME 8163.33 LOAD: AVG 0.118211 MAX 0.204297 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.023 MB LDB: ============== END OF LOAD BALANCING =============== 8163.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8163.34 PRESSURE: 2736400 -257.303 29.4906 -84.3171 29.491 -61.2913 55.4292 -84.3173 55.4306 69.3803 GPRESSURE: 2736400 -170.19 89.6833 -120.921 48.6068 -35.0562 24.682 -98.0322 98.7459 55.5568 PRESSAVG: 2736400 -44.2814 -41.8138 -31.2542 -41.8138 37.9879 -3.08904 -31.2542 -3.08889 37.3916 GPRESSAVG: 2736400 -43.9469 -40.8842 -29.1138 -42.4223 38.4911 -4.03753 -31.3323 -1.7369 37.1729 TIMING: 2736400 CPU: 8160.09, 0.00301912/step Wall: 8160.09, 0.00301912/step, 1.89835 hours remaining, 208.015625 MB of memory in use. ENERGY: 2736400 777.0765 2147.5227 1951.9861 111.4076 -206105.4059 18017.5358 0.0000 0.0000 34327.4476 -148772.4296 299.7901 -183099.8772 -148680.9840 300.6329 -83.0714 -49.8965 558264.3253 10.3661 10.5724 PRESSURE: 2736600 31.4293 201.325 -88.4459 201.326 -170.4 51.7837 -88.4459 51.7843 -54.0392 GPRESSURE: 2736600 76.5422 172.07 -64.7908 208.015 -151.11 52.7946 -71.3435 2.66749 -24.8335 PRESSAVG: 2736600 20.5102 -9.94986 37.8057 -9.94984 -63.3473 -43.4242 37.8057 -43.4242 18.5945 GPRESSAVG: 2736600 19.4559 -10.043 36.1556 -8.51383 -63.4453 -43.8815 37.8962 -44.5615 19.5147 TIMING: 2736600 CPU: 8160.68, 0.00296587/step Wall: 8160.68, 0.00296587/step, 1.86471 hours remaining, 208.015625 MB of memory in use. ENERGY: 2736600 734.1490 2094.4175 1948.2130 109.0184 -205415.6139 17463.6756 0.0000 0.0000 34213.7838 -148852.3566 298.7975 -183066.1404 -148753.2204 299.6328 -64.3368 -33.1338 558043.0201 -8.0809 -8.1582 PRESSURE: 2736800 -131.535 55.0222 -77.6872 55.0232 66.3036 -0.915731 -77.6869 -0.915238 -86.5406 GPRESSURE: 2736800 -115.688 67.9852 -36.2492 23.9668 110.233 -42.2748 -107.981 -27.2595 -65.0044 PRESSAVG: 2736800 -63.188 22.7285 30.217 22.7285 75.287 -26.7836 30.217 -26.7835 6.66915 GPRESSAVG: 2736800 -62.5877 21.9534 32.7207 22.1301 75.3919 -27.0173 29.0145 -26.3944 6.49349 TIMING: 2736800 CPU: 8161.27, 0.00297212/step Wall: 8161.27, 0.00297212/step, 1.86848 hours remaining, 208.015625 MB of memory in use. ENERGY: 2736800 716.8730 2097.8719 1926.3918 114.4774 -205947.8248 17578.9475 0.0000 0.0000 34493.4752 -149019.7879 301.2401 -183513.2631 -148911.0544 300.3478 -50.5908 -23.4864 557561.4809 6.2560 6.4326 PRESSURE: 2737000 268.853 -176.835 -4.95169 -176.834 -73.7336 -221.497 -4.95026 -221.499 -22.1944 GPRESSURE: 2737000 232.384 -89.6896 33.4521 -246.053 1.67969 -204.626 -58.994 -189.088 39.9614 PRESSAVG: 2737000 15.0144 -2.97126 -18.2314 -2.97127 55.3906 -50.9668 -18.2314 -50.9668 -104.349 GPRESSAVG: 2737000 15.2345 -2.53857 -20.4113 -0.946263 55.7339 -49.756 -17.8394 -51.5904 -105.061 TIMING: 2737000 CPU: 8161.87, 0.00296364/step Wall: 8161.87, 0.00296364/step, 1.86298 hours remaining, 208.015625 MB of memory in use. ENERGY: 2737000 776.7920 2087.9367 1950.7389 126.4679 -206274.2593 17923.9476 0.0000 0.0000 34280.7763 -149127.5998 299.3825 -183408.3761 -149035.6016 300.0931 57.6415 91.3417 555562.0909 -11.3145 -11.3643 PRESSURE: 2737200 -22.1217 -186.784 -57.1316 -186.784 -363.871 -2.57693 -57.1316 -2.57759 -113.446 GPRESSURE: 2737200 50.161 -219.575 -52.3199 -120.904 -330.229 12.7982 30.1386 -21.7941 -125.45 PRESSAVG: 2737200 4.47068 -33.3532 12.3154 -33.3531 -15.5981 20.1429 12.3153 20.1429 13.0839 GPRESSAVG: 2737200 4.70437 -32.8862 12.5595 -33.9817 -16.9234 18.9232 13.818 23.232 13.9359 TIMING: 2737200 CPU: 8162.46, 0.00296242/step Wall: 8162.46, 0.00296242/step, 1.86204 hours remaining, 208.015625 MB of memory in use. ENERGY: 2737200 753.4897 2022.9751 1931.8391 108.4877 -206021.9343 17560.6861 0.0000 0.0000 34603.6372 -149040.8195 302.2022 -183644.4566 -148944.2357 300.1740 -166.4796 -135.1726 557853.0450 0.6522 0.5723 PRESSURE: 2737400 -7.10351 -133.357 -8.11764 -133.355 45.219 -11.8278 -8.1181 -11.8279 209.393 GPRESSURE: 2737400 55.0758 -134.2 -79.0758 -133.463 55.0697 -10.9869 -12.0653 20.7508 241.943 PRESSAVG: 2737400 -76.3193 -16.0808 -4.84193 -16.0808 19.8152 -23.3346 -4.84188 -23.3346 66.3996 GPRESSAVG: 2737400 -76.5833 -18.0302 -4.08882 -15.9455 20.6675 -20.3256 -5.75752 -26.2179 66.608 TIMING: 2737400 CPU: 8163.05, 0.00293768/step Wall: 8163.05, 0.00293768/step, 1.84633 hours remaining, 208.015625 MB of memory in use. ENERGY: 2737400 739.3959 2074.1213 1941.0438 109.0334 -206228.5359 17810.2247 0.0000 0.0000 34560.7237 -148993.9931 301.8274 -183554.7168 -148891.1716 300.0683 82.5028 117.3630 556377.0089 3.2985 3.5641 PRESSURE: 2737600 -335.54 -8.89829 15.7676 -8.89704 -46.4298 7.84542 15.7678 7.84458 -153.898 GPRESSURE: 2737600 -300.523 -22.6119 -23.3141 62.4936 -27.3795 37.7329 83.7617 -29.1931 -111.522 PRESSAVG: 2737600 -10.6485 10.619 -17.6275 10.6189 -16.5771 -10.038 -17.6276 -10.038 -1.53506 GPRESSAVG: 2737600 -11.6205 12.9435 -16.6019 8.65476 -16.4769 -9.62734 -17.4312 -9.66547 -1.3096 TIMING: 2737600 CPU: 8163.64, 0.00294681/step Wall: 8163.64, 0.00294681/step, 1.85191 hours remaining, 208.015625 MB of memory in use. ENERGY: 2737600 745.8134 2035.0897 1944.5912 111.9083 -205665.0226 17462.9089 0.0000 0.0000 34409.1684 -148955.5427 300.5038 -183364.7111 -148863.9357 299.8830 -178.6226 -146.4750 557987.4823 -9.5869 -9.8024 PRESSURE: 2737800 -380.877 -45.1081 -135.831 -45.1055 93.7042 115.73 -135.831 115.729 -205.045 GPRESSURE: 2737800 -359.656 -67.2559 -179.227 -127.781 113.298 167.96 -161.871 12.4607 -142.205 PRESSAVG: 2737800 -69.9881 -11.0413 -40.0375 -11.0411 30.0475 -23.7178 -40.0374 -23.718 26.1434 GPRESSAVG: 2737800 -68.9901 -12.3258 -40.0171 -8.44564 29.7883 -24.5159 -42.3929 -23.3632 25.4748 TIMING: 2737800 CPU: 8164.23, 0.0029491/step Wall: 8164.23, 0.0029491/step, 1.85318 hours remaining, 208.015625 MB of memory in use. ENERGY: 2737800 722.4307 2100.6511 1892.3953 110.8116 -205522.4500 17477.2824 0.0000 0.0000 34228.9700 -148989.9090 298.9301 -183218.8789 -148893.8007 299.1193 -164.0726 -129.5210 557778.1016 -4.5991 -4.5757 PRESSURE: 2738000 31.0031 -14.295 117.505 -14.2953 -293.844 -5.40904 117.504 -5.41 -123.003 GPRESSURE: 2738000 103.475 56.1964 -1.8045 -29.52 -290.714 -7.34691 133.876 -8.03972 -96.8544 PRESSAVG: 2738000 73.8958 -58.6757 -7.11257 -58.6757 -26.5646 27.5206 -7.11271 27.5206 -23.878 GPRESSAVG: 2738000 73.4658 -58.0218 -7.4506 -59.0715 -25.5324 24.8172 -5.84019 28.4762 -24.5223 TIMING: 2738000 CPU: 8164.82, 0.00297025/step Wall: 8164.82, 0.00297025/step, 1.86631 hours remaining, 208.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2738000 777.1179 2082.4396 1900.8920 116.5911 -205930.0641 17651.6729 0.0000 0.0000 34350.5101 -149050.8404 299.9915 -183401.3506 -148956.6779 299.6123 -128.6145 -94.6977 556370.4609 7.8177 7.8037 PRESSURE: 2738200 -42.8504 62.1218 107.77 62.1213 -122.159 12.3124 107.77 12.3128 -183.911 GPRESSURE: 2738200 -20.4664 134.432 120.343 12.6674 -76.322 70.5895 126.036 -51.0598 -147.752 PRESSAVG: 2738200 30.8012 -2.88126 31.0832 -2.88126 -54.4072 -40.9235 31.0832 -40.9233 22.9662 GPRESSAVG: 2738200 31.3443 -2.35633 30.406 -3.34342 -54.6315 -38.5238 33.325 -42.5679 23.0446 TIMING: 2738200 CPU: 8165.42, 0.00298021/step Wall: 8165.42, 0.00298021/step, 1.8724 hours remaining, 208.015625 MB of memory in use. ENERGY: 2738200 793.7038 2069.5705 1920.0700 108.7215 -205959.2739 17696.5240 0.0000 0.0000 34209.1260 -149161.5581 298.7568 -183370.6841 -149066.0413 299.1906 -116.3068 -81.5134 558572.6040 -0.2133 -0.0809 PRESSURE: 2738400 84.8429 25.8938 -127.046 25.893 -103.447 73.3839 -127.045 73.385 -288.657 GPRESSURE: 2738400 63.1713 23.8765 -3.99521 24.8107 -78.3356 80.0481 -201.562 66.1431 -210.157 PRESSAVG: 2738400 50.1404 -25.1887 10.2283 -25.1887 26.7332 -32.5166 10.2284 -32.5166 -33.5829 GPRESSAVG: 2738400 49.5487 -26.1846 10.5585 -24.7246 26.6803 -34.2069 8.14073 -31.3746 -33.3189 TIMING: 2738400 CPU: 8166.01, 0.00297516/step Wall: 8166.01, 0.00297516/step, 1.86906 hours remaining, 208.015625 MB of memory in use. ENERGY: 2738400 699.2567 2035.2616 1944.8086 122.4294 -205904.7818 17673.7132 0.0000 0.0000 34209.3222 -149219.9901 298.7585 -183429.3123 -149122.9625 299.0019 -102.4202 -75.1072 557982.7966 14.4302 14.3034 PRESSURE: 2738600 -64.5621 47.7108 67.3405 47.7119 43.5013 62.2242 67.34 62.2235 -529.507 GPRESSURE: 2738600 -36.9431 43.0003 140.113 55.7686 72.8192 14.5167 -12.964 46.9866 -484.494 PRESSAVG: 2738600 15.8342 -31.5882 51.6002 -31.5881 35.9257 -12.3939 51.6002 -12.3938 -1.77333 GPRESSAVG: 2738600 15.1066 -29.268 49.9133 -33.2442 35.9911 -11.2479 54.4236 -13.3393 -0.698606 TIMING: 2738600 CPU: 8166.61, 0.00297982/step Wall: 8166.61, 0.00297982/step, 1.87183 hours remaining, 208.015625 MB of memory in use. ENERGY: 2738600 759.0670 2110.3515 1928.8009 97.8027 -206031.4157 17659.8643 0.0000 0.0000 34089.5521 -149385.9772 297.7125 -183475.5293 -149292.5393 299.0210 -183.5226 -149.5393 558000.2875 16.6622 16.7997 PRESSURE: 2738800 4.39455 -91.8351 -43.7739 -91.836 -133.261 70.7453 -43.7754 70.746 29.5546 GPRESSURE: 2738800 21.3841 -154.31 -72.9455 -89.4864 -59.1275 -10.6386 -6.57907 65.9178 38.9736 PRESSAVG: 2738800 20.2745 6.07602 -61.1616 6.07596 -7.37111 -1.4644 -61.1616 -1.46432 -13.0849 GPRESSAVG: 2738800 21.7325 3.8423 -60.0748 8.0666 -7.93873 -0.582459 -64.1009 -2.22408 -13.2715 TIMING: 2738800 CPU: 8167.2, 0.00296267/step Wall: 8167.2, 0.00296267/step, 1.86089 hours remaining, 208.015625 MB of memory in use. ENERGY: 2738800 732.9470 2119.2506 1943.8998 107.6008 -206079.4114 17785.0837 0.0000 0.0000 34193.7908 -149196.8387 298.6229 -183390.6295 -149096.9580 298.9325 -33.1041 0.4100 558348.6224 -0.0605 0.1741 PRESSURE: 2739000 -288.369 -100.809 99.7141 -100.809 -54.1484 -39.2403 99.7136 -39.2409 -169.856 GPRESSURE: 2739000 -216.721 -64.6918 91.5418 -33.5198 -130.203 -63.2789 73.2951 -8.57053 -59.1172 PRESSAVG: 2739000 30.0455 -28.9024 -36.9569 -28.9024 -23.6095 -35.6393 -36.9568 -35.6393 -9.84971 GPRESSAVG: 2739000 29.3465 -27.706 -36.2053 -30.6014 -22.8142 -36.95 -36.394 -33.5979 -9.61148 TIMING: 2739000 CPU: 8167.79, 0.0029426/step Wall: 8167.79, 0.0029426/step, 1.84812 hours remaining, 208.015625 MB of memory in use. ENERGY: 2739000 741.4774 2093.5213 1941.4545 103.1530 -205585.9559 17427.6306 0.0000 0.0000 34365.4927 -148913.2265 300.1224 -183278.7192 -148815.4114 299.4215 -170.7910 -135.3470 558607.2000 -1.1379 -1.0264 PRESSURE: 2739200 182.642 127.928 -57.9545 127.929 -247.276 -17.3492 -57.9535 -17.3489 165.749 GPRESSURE: 2739200 190.319 61.8916 41.4956 162.344 -204.652 33.3823 -45.6548 -46.2957 217.768 PRESSAVG: 2739200 4.0974 -18.6434 11.6835 -18.6435 -69.9726 -28.3864 11.6835 -28.3862 43.2518 GPRESSAVG: 2739200 4.69177 -17.626 10.9167 -18.9059 -71.8648 -28.1996 13.0587 -29.7229 44.0642 TIMING: 2739200 CPU: 8168.38, 0.00296099/step Wall: 8168.38, 0.00296099/step, 1.8595 hours remaining, 208.015625 MB of memory in use. ENERGY: 2739200 713.7889 2125.8428 1922.7923 107.2629 -205738.2901 17570.1767 0.0000 0.0000 34454.0400 -148844.3865 300.8957 -183298.4266 -148749.7503 299.6937 33.7050 67.8117 556901.8503 -7.5411 -7.7030 PRESSURE: 2739400 15.3421 36.7992 83.3373 36.7988 -291.579 -41.6164 83.3366 -41.6166 -42.0279 GPRESSURE: 2739400 49.8282 18.3793 153.452 3.9974 -220.236 0.681971 69.0473 -46.1448 -55.6028 PRESSAVG: 2739400 94.1856 33.2018 81.9791 33.2018 -68.2201 -28.7161 81.9792 -28.716 2.25955 GPRESSAVG: 2739400 93.6086 30.8186 83.4675 35.2463 -67.3261 -29.6708 80.4939 -28.7513 1.74188 TIMING: 2739400 CPU: 8168.98, 0.0029975/step Wall: 8168.98, 0.0029975/step, 1.88226 hours remaining, 208.015625 MB of memory in use. ENERGY: 2739400 741.9923 2095.0518 1945.2632 103.5469 -205797.7056 17523.2240 0.0000 0.0000 34254.2006 -149134.4268 299.1505 -183388.6274 -149040.4920 300.1153 -106.0883 -75.3368 557005.4569 9.4084 9.3415 PRESSURE: 2739600 -82.46 177.833 -116.831 177.833 -160.41 -206.36 -116.83 -206.36 -239.601 GPRESSURE: 2739600 -73.2982 292.986 -128.673 116.157 -64.708 -151.575 -180.088 -223.155 -254.489 PRESSAVG: 2739600 -28.7658 31.6579 44.529 31.6579 -52.2515 -65.1483 44.5289 -65.1483 83.5373 GPRESSAVG: 2739600 -28.3539 33.2202 43.0933 30.094 -53.0069 -63.8138 44.4493 -65.3713 83.3316 TIMING: 2739600 CPU: 8169.57, 0.00296232/step Wall: 8169.57, 0.00296232/step, 1.86001 hours remaining, 208.015625 MB of memory in use. ENERGY: 2739600 766.7019 2092.9570 1922.0380 115.6928 -205801.2765 17592.4674 0.0000 0.0000 34180.0687 -149131.3507 298.5030 -183311.4194 -149037.5036 299.2209 -160.8234 -130.8317 557061.0400 0.8400 0.6569 PRESSURE: 2739800 -34.7391 47.7415 -45.5576 47.7403 129.073 106.278 -45.5564 106.278 49.2313 GPRESSURE: 2739800 14.5095 75.8469 -33.8928 103.305 114.495 126.274 -4.91054 60.9409 111.758 PRESSAVG: 2739800 34.0203 27.6941 -24.877 27.694 22.6407 -1.11459 -24.8771 -1.11467 -18.8003 GPRESSAVG: 2739800 33.6665 29.064 -23.5969 25.3921 23.567 -0.710027 -23.5584 -2.82993 -19.7141 TIMING: 2739800 CPU: 8170.16, 0.00295087/step Wall: 8170.16, 0.00295087/step, 1.85265 hours remaining, 208.015625 MB of memory in use. ENERGY: 2739800 719.9711 2058.8934 1913.5819 105.2348 -206577.5934 18118.6199 0.0000 0.0000 34401.9591 -149259.3332 300.4409 -183661.2923 -149171.4004 299.5111 47.8552 80.2541 557695.9985 12.6202 12.5064 PRESSURE: 2740000 -111.88 -38.7558 46.8579 -38.7547 1.74939 -55.9399 46.8573 -55.9403 -201.895 GPRESSURE: 2740000 -125.101 7.64058 -43.3536 -127.18 97.8958 -180.951 123.592 129.285 -199.012 PRESSAVG: 2740000 -34.3349 46.3142 -9.60837 46.3141 25.3406 -29.2867 -9.60841 -29.2867 3.16488 GPRESSAVG: 2740000 -34.5882 44.2299 -10.3961 48.2264 25.572 -29.4482 -11.5111 -29.1556 3.73097 TIMING: 2740000 CPU: 8170.76, 0.00298126/step Wall: 8170.76, 0.00298126/step, 1.87157 hours remaining, 208.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2740000 715.4487 2112.5355 1928.1385 110.1805 -205908.0080 17540.5357 0.0000 0.0000 34291.5374 -149209.6318 299.4765 -183501.1692 -149104.1121 299.5092 -104.0085 -75.4054 556611.4288 -1.9431 -1.7618 PRESSURE: 2740200 176.588 -203.487 -4.51669 -203.485 -112.489 63.3148 -4.51613 63.3137 -1.09279 GPRESSURE: 2740200 232.922 -180.055 -24.0281 -249.595 -39.9965 73.693 49.6488 70.0275 -32.4626 PRESSAVG: 2740200 42.2521 -56.2612 -24.8106 -56.2612 -3.87423 9.40445 -24.8106 9.40426 -19.8551 GPRESSAVG: 2740200 41.6879 -55.2607 -23.206 -55.0984 -3.29914 10.2864 -24.5072 8.79416 -19.2799 TIMING: 2740200 CPU: 8171.35, 0.00297702/step Wall: 8171.35, 0.00297702/step, 1.86874 hours remaining, 208.015625 MB of memory in use. ENERGY: 2740200 737.1456 2081.5016 1926.0020 110.7273 -205883.0295 17459.7643 0.0000 0.0000 34328.8307 -149239.0579 299.8022 -183567.8887 -149139.1681 299.4297 21.0021 53.4876 556935.2204 6.1742 6.3696 LDB: ============= START OF LOAD BALANCING ============== 8174.9 LDB: ============== END OF LOAD BALANCING =============== 8174.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8174.9 LDB: ============= START OF LOAD BALANCING ============== 8175.2 LDB: Largest compute 4773 load 0.027558 is 23.3% of average load 0.118258 LDB: Average compute 0.001741 is 1.5% of average load 0.118258 LDB: TIME 8175.2 LOAD: AVG 0.118258 MAX 0.202374 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.535 MB LDB: TIME 8175.2 LOAD: AVG 0.118258 MAX 0.202374 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.539 MB LDB: TIME 8175.2 LOAD: AVG 0.118258 MAX 0.202374 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.539 MB LDB: ============== END OF LOAD BALANCING =============== 8175.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8175.21 PRESSURE: 2740400 212.049 31.3253 -23.7971 31.325 -146.899 91.909 -23.7953 91.9114 -64.1234 GPRESSURE: 2740400 256.032 -7.38685 -120.293 57.0578 -89.4679 77.9055 -56.3049 160.624 -65.0971 PRESSAVG: 2740400 73.193 -15.0493 8.61627 -15.0494 -30.8868 23.1395 8.61634 23.1395 -58.5634 GPRESSAVG: 2740400 74.7068 -16.1202 9.34936 -16.3127 -32.1032 20.9506 7.30505 25.3466 -59.0244 TIMING: 2740400 CPU: 8171.96, 0.00300269/step Wall: 8171.96, 0.00300269/step, 1.88469 hours remaining, 207.558594 MB of memory in use. ENERGY: 2740400 742.5090 2058.0925 1906.1631 113.4501 -206355.1754 17994.9291 0.0000 0.0000 34256.7056 -149283.3259 299.1723 -183540.0315 -149186.9123 299.0547 0.3424 33.8223 558814.8156 -5.4191 -5.4736 PRESSURE: 2740600 -5.64048 100.138 -113.926 100.136 79.7221 -149.788 -113.926 -149.789 145.072 GPRESSURE: 2740600 7.25115 141.672 -93.6337 50.8232 136.676 -180.28 -103.551 -99.3409 172.872 PRESSAVG: 2740600 20.0169 7.05472 -22.7678 7.05469 -47.2463 63.2805 -22.7679 63.2806 -9.00973 GPRESSAVG: 2740600 18.686 5.59481 -24.6059 8.9767 -47.1673 64.4448 -22.641 61.5176 -8.37035 TIMING: 2740600 CPU: 8172.55, 0.00295166/step Wall: 8172.55, 0.00295166/step, 1.8525 hours remaining, 207.757812 MB of memory in use. ENERGY: 2740600 705.6710 2049.1533 1939.5516 96.6257 -206273.2379 17974.6590 0.0000 0.0000 34184.6547 -149322.9224 298.5431 -183507.5772 -149224.5233 298.9245 73.0511 105.6000 558026.0040 -12.0797 -12.2839 PRESSURE: 2740800 3.65755 -44.954 106.694 -44.9543 160.255 6.53368 106.694 6.53387 163.109 GPRESSURE: 2740800 65.6568 -85.4241 -14.1323 -13.5445 138.644 -83.2 181.12 54.4636 227.017 PRESSAVG: 2740800 5.87031 13.9843 -33.4011 13.9842 -17.023 -1.92515 -33.4012 -1.92515 -4.37433 GPRESSAVG: 2740800 6.47947 15.8174 -34.3189 12.6588 -17.4615 -4.28829 -30.5843 -0.852645 -4.45689 TIMING: 2740800 CPU: 8173.14, 0.00296447/step Wall: 8173.14, 0.00296447/step, 1.86037 hours remaining, 207.757812 MB of memory in use. ENERGY: 2740800 734.4762 2086.2834 1936.2747 110.8003 -206517.9859 17888.9021 0.0000 0.0000 34476.6391 -149284.6101 301.0931 -183761.2492 -149189.6790 299.1912 109.0070 143.7726 557647.4335 -5.1757 -5.1463 PRESSURE: 2741000 -63.9992 37.6968 49.0201 37.6979 -63.4272 -142.295 49.0203 -142.295 -22.0608 GPRESSURE: 2741000 -23.7365 20.8954 97.0132 2.68562 -10.8725 -216.305 -15.2714 -81.886 -11.708 PRESSAVG: 2741000 -35.9447 -13.0218 23.4368 -13.0219 12.9217 46.4517 23.4369 46.4516 19.9079 GPRESSAVG: 2741000 -36.4409 -14.4823 24.272 -12.866 13.0336 46.7497 22.8455 45.0264 20.4842 TIMING: 2741000 CPU: 8173.74, 0.00298339/step Wall: 8173.74, 0.00298339/step, 1.87208 hours remaining, 207.757812 MB of memory in use. ENERGY: 2741000 753.7815 2041.4930 1926.2457 112.4049 -206082.0041 17732.6225 0.0000 0.0000 34391.5554 -149123.9009 300.3500 -183515.4563 -149024.8569 299.6600 -49.8291 -15.4390 556960.0633 -1.0384 -0.9743 PRESSURE: 2741200 34.1031 155.427 -60.9732 155.428 -179.359 -127.33 -60.974 -127.33 -49.9827 GPRESSURE: 2741200 93.0676 208.626 -136.146 50.1483 -166.736 -70.1485 23.939 -56.8548 -30.9102 PRESSAVG: 2741200 -25.8853 36.1422 -3.24558 36.1421 36.4768 2.65532 -3.24562 2.6553 -21.6404 GPRESSAVG: 2741200 -25.5422 38.4055 -3.39755 33.9088 37.621 1.96435 -4.15545 4.50997 -22.6059 TIMING: 2741200 CPU: 8174.33, 0.00296031/step Wall: 8174.33, 0.00296031/step, 1.85743 hours remaining, 207.757812 MB of memory in use. ENERGY: 2741200 758.8188 2081.4986 1940.8155 119.7178 -206520.7191 17921.7833 0.0000 0.0000 34390.7202 -149307.3650 300.3427 -183698.0852 -149210.6707 299.5644 -65.0796 -34.8595 556841.3120 -3.6830 -3.5090 PRESSURE: 2741400 -318.563 -130.875 -90.2579 -130.875 -400.27 218.821 -90.257 218.823 -190.828 GPRESSURE: 2741400 -312.051 -164.321 -166.506 -25.3073 -361.655 230.84 -119.997 215.905 -141.897 PRESSAVG: 2741400 -10.2568 71.5463 -12.5479 71.5464 -49.5121 51.4766 -12.548 51.4765 14.4833 GPRESSAVG: 2741400 -10.5492 70.6413 -13.1047 73.3402 -50.0503 53.192 -11.018 50.2177 15.1688 TIMING: 2741400 CPU: 8174.92, 0.00296386/step Wall: 8174.92, 0.00296386/step, 1.85949 hours remaining, 207.757812 MB of memory in use. ENERGY: 2741400 751.2462 2053.9073 1929.2396 118.5771 -206071.9371 17442.8017 0.0000 0.0000 34407.6252 -149368.5399 300.4903 -183776.1652 -149264.2190 299.7297 -303.2203 -271.8676 558284.2165 -15.0952 -15.1436 PRESSURE: 2741600 -159.101 18.2695 -109.026 18.2699 -158.194 93.9574 -109.026 93.9569 -271.937 GPRESSURE: 2741600 -133.134 -16.2313 -180.717 21.2401 -124.476 23.6491 -123.483 114.291 -236.878 PRESSAVG: 2741600 47.5893 -27.8866 -18.2107 -27.8867 31.1326 83.057 -18.2108 83.057 -47.0191 GPRESSAVG: 2741600 48.5596 -27.6892 -18.8147 -29.3029 30.1359 83.2648 -18.4611 83.4779 -46.964 TIMING: 2741600 CPU: 8175.51, 0.00294606/step Wall: 8175.51, 0.00294606/step, 1.84816 hours remaining, 207.757812 MB of memory in use. ENERGY: 2741600 797.1368 2082.3242 1947.9735 113.5863 -205942.8318 17600.6028 0.0000 0.0000 33956.1878 -149445.0204 296.5478 -183401.2082 -149350.6457 298.8023 -196.4109 -164.8292 557562.8074 10.5676 10.5772 PRESSURE: 2741800 -151.466 14.6711 -129.148 14.6707 92.9868 61.2743 -129.148 61.2753 -60.6465 GPRESSURE: 2741800 -129.484 51.5779 -142.266 -11.2778 132.158 -20.1427 -74.6353 114.153 -11.6243 PRESSAVG: 2741800 -33.1689 47.2498 -40.017 47.2497 -44.1746 40.3662 -40.017 40.3662 10.8791 GPRESSAVG: 2741800 -33.393 47.0167 -40.642 48.0257 -43.8223 39.1584 -41.5445 40.6706 10.8064 TIMING: 2741800 CPU: 8176.1, 0.00296473/step Wall: 8176.1, 0.00296473/step, 1.85971 hours remaining, 207.757812 MB of memory in use. ENERGY: 2741800 771.9839 2113.5186 1946.3158 103.4043 -206440.2742 17873.1252 0.0000 0.0000 34213.4169 -149418.5095 298.7943 -183631.9263 -149320.8253 298.1810 -39.7086 -2.9834 557435.8246 -22.1548 -22.1363 PRESSURE: 2742000 -294.014 -41.6472 -84.1041 -41.647 113.816 -21.3632 -84.1057 -21.3641 47.0332 GPRESSURE: 2742000 -220.646 -80.0209 -33.7949 -78.9976 111.543 -52.8015 -25.8395 -10.1095 76.2553 PRESSAVG: 2742000 -71.2698 9.9846 -0.993663 9.98445 36.2951 12.2858 -0.993702 12.2859 31.6638 GPRESSAVG: 2742000 -70.9128 9.04645 2.12821 9.73057 35.7261 13.1345 -1.03193 10.2895 32.1386 TIMING: 2742000 CPU: 8176.7, 0.00298799/step Wall: 8176.7, 0.00298799/step, 1.87413 hours remaining, 207.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2742000 770.6646 2085.7408 1948.3870 121.8136 -206132.0678 17827.5755 0.0000 0.0000 34167.6579 -149210.2283 298.3947 -183377.8862 -149113.6166 298.9738 -44.3882 -10.9494 557302.3424 -1.1037 -1.0160 PRESSURE: 2742200 82.69 -26.2879 11.2961 -26.2861 -90.8381 -94.8638 11.2948 -94.8652 175.768 GPRESSURE: 2742200 88.5098 19.8789 33.6836 -103.882 -44.3066 -46.0709 -22.7894 -123.966 217.764 PRESSAVG: 2742200 -10.0674 -19.3361 -47.074 -19.3362 15.2495 -16.9545 -47.0739 -16.9545 -21.812 GPRESSAVG: 2742200 -11.2425 -18.6019 -48.0228 -19.4636 16.4991 -16.2912 -47.0353 -15.0638 -22.238 TIMING: 2742200 CPU: 8177.29, 0.00297145/step Wall: 8177.29, 0.00297145/step, 1.8636 hours remaining, 207.757812 MB of memory in use. ENERGY: 2742200 718.5195 2121.9981 1926.7161 118.7968 -206457.4652 18010.9455 0.0000 0.0000 34362.5289 -149197.9604 300.0965 -183560.4893 -149098.4218 298.7796 55.8732 87.3224 557362.5296 -5.5433 -5.6604 PRESSURE: 2742400 29.5409 126.029 -17.2442 126.028 -71.6155 6.61089 -17.2455 6.61177 -6.61527 GPRESSURE: 2742400 65.1843 167.233 -98.8053 127.209 -55.7048 -51.6697 -74.5431 40.612 53.0836 PRESSAVG: 2742400 20.795 -3.62925 17.0051 -3.62926 -65.7732 -13.4701 17.0051 -13.4701 12.9441 GPRESSAVG: 2742400 21.4302 -1.66733 14.8557 -4.02165 -66.7745 -13.906 17.9139 -13.8125 13.3853 TIMING: 2742400 CPU: 8177.89, 0.00297816/step Wall: 8177.89, 0.00297816/step, 1.86764 hours remaining, 207.757812 MB of memory in use. ENERGY: 2742400 741.8650 2094.2360 1915.2445 113.4272 -206079.4772 17670.6829 0.0000 0.0000 34310.1700 -149233.8517 299.6392 -183544.0217 -149143.5092 299.3373 -16.2299 20.8544 557688.1189 -10.6780 -10.6530 PRESSURE: 2742600 92.8867 98.1466 -58.6857 98.1472 26.068 -178.079 -58.6846 -178.079 72.2641 GPRESSURE: 2742600 137.757 17.6642 -28.7982 91.6786 67.4866 -211.535 -43.9724 -170.411 79.7179 PRESSAVG: 2742600 34.7173 16.2375 7.69963 16.2377 -103.75 -46.3866 7.69962 -46.3866 70.6312 GPRESSAVG: 2742600 33.9623 14.0333 8.80638 18.557 -103.054 -47.0331 8.34387 -46.7065 70.4237 TIMING: 2742600 CPU: 8178.48, 0.00294349/step Wall: 8178.48, 0.00294349/step, 1.84573 hours remaining, 207.757812 MB of memory in use. ENERGY: 2742600 775.9458 2083.1098 1983.6093 120.7715 -206376.3735 17876.8766 0.0000 0.0000 34379.6405 -149156.4201 300.2460 -183536.0606 -149059.6179 299.3587 63.7396 94.9873 556011.5886 0.5330 0.4441 PRESSURE: 2742800 -155.68 -31.9452 -130.803 -31.9455 -218.466 102.009 -130.802 102.01 10.8991 GPRESSURE: 2742800 -135.94 -54.9116 -213.783 -98.8741 -199.369 146.084 -163.881 95.1848 77.7378 PRESSAVG: 2742800 -12.7676 1.40538 4.62373 1.40539 -62.5495 6.66864 4.62374 6.66872 67.5037 GPRESSAVG: 2742800 -12.2946 2.02747 3.87457 0.524436 -62.4925 8.20147 3.73455 6.45357 67.4404 TIMING: 2742800 CPU: 8179.07, 0.00294387/step Wall: 8179.07, 0.00294387/step, 1.84581 hours remaining, 207.757812 MB of memory in use. ENERGY: 2742800 708.3988 2079.9876 1944.9462 126.9925 -205500.3014 17445.5054 0.0000 0.0000 34190.1013 -149004.3696 298.5907 -183194.4709 -148913.3609 300.2869 -121.0825 -85.8571 558237.2198 -2.6045 -2.4489 PRESSURE: 2743000 -186.37 98.0114 160.202 98.0114 -146.303 28.3007 160.2 28.2993 -284.176 GPRESSURE: 2743000 -106.003 93.183 142.39 86.8648 -169.514 -43.5469 126.574 68.8229 -239.659 PRESSAVG: 2743000 11.7036 61.5704 -42.7666 61.5704 -28.9105 13.33 -42.7666 13.33 -22.7856 GPRESSAVG: 2743000 11.7233 60.6996 -42.525 61.5554 -28.3997 12.7716 -44.5111 12.9028 -23.2284 TIMING: 2743000 CPU: 8179.66, 0.00295555/step Wall: 8179.66, 0.00295555/step, 1.85297 hours remaining, 207.757812 MB of memory in use. ENERGY: 2743000 726.5614 2106.8146 1926.3422 121.3481 -205617.8430 17383.4941 0.0000 0.0000 34415.5404 -148937.7421 300.5595 -183353.2825 -148841.3621 300.2978 -205.6161 -171.7253 558759.8052 -13.3308 -13.3016 PRESSURE: 2743200 -212.902 68.1835 140.251 68.1825 84.8682 -121.862 140.25 -121.863 168.864 GPRESSURE: 2743200 -144.515 -28.0218 114.229 121.458 94.6109 -148.603 163.752 -189.527 186.788 PRESSAVG: 2743200 -83.5955 -13.5403 0.986497 -13.5402 -3.43529 -18.2463 0.986559 -18.2464 61.9127 GPRESSAVG: 2743200 -81.0803 -12.5271 1.49814 -12.5131 -4.89397 -17.515 1.91869 -19.2822 61.1724 TIMING: 2743200 CPU: 8180.25, 0.00295911/step Wall: 8180.25, 0.00295911/step, 1.85504 hours remaining, 207.757812 MB of memory in use. ENERGY: 2743200 741.6892 2122.5844 1920.4740 106.0134 -205968.6418 17829.5848 0.0000 0.0000 34333.0899 -148915.2061 299.8394 -183248.2960 -148815.1735 299.9131 13.6100 45.6280 558448.5647 -8.3727 -8.2673 PRESSURE: 2743400 -200.398 -97.2084 150.556 -97.2078 -59.0288 27.235 150.557 27.2341 -32.2336 GPRESSURE: 2743400 -142.271 -46.065 142.27 -74.0254 -37.6973 -65.2262 239.253 12.4237 -8.4156 PRESSAVG: 2743400 -37.0692 11.5471 12.8572 11.5472 5.38613 -28.0185 12.8571 -28.0184 22.7862 GPRESSAVG: 2743400 -38.6275 12.9366 10.6023 9.2113 6.1881 -28.7818 14.603 -26.0007 23.0125 TIMING: 2743400 CPU: 8180.84, 0.0029724/step Wall: 8180.84, 0.0029724/step, 1.8632 hours remaining, 207.757812 MB of memory in use. ENERGY: 2743400 758.6647 2040.9106 1940.4364 133.0225 -205841.3182 17829.8987 0.0000 0.0000 34389.6992 -148748.6861 300.3338 -183138.3853 -148651.1432 300.7983 -97.2201 -62.7946 557736.9820 -2.9656 -3.1423 PRESSURE: 2743600 65.8291 24.0854 -26.7752 24.0847 64.7518 -43.4023 -26.7768 -43.4015 -38.8092 GPRESSURE: 2743600 77.2696 45.4307 62.6985 10.4185 138.539 -105.144 -93.2776 -60.203 -29.6282 PRESSAVG: 2743600 -45.7323 -16.053 -26.9012 -16.0531 57.5725 47.6292 -26.9012 47.6292 19.2024 GPRESSAVG: 2743600 -47.3131 -19.0841 -24.2578 -14.2107 57.0818 49.6678 -28.4208 43.8187 21.0413 TIMING: 2743600 CPU: 8181.44, 0.00297488/step Wall: 8181.44, 0.00297488/step, 1.86459 hours remaining, 207.757812 MB of memory in use. ENERGY: 2743600 734.2193 2031.1249 1932.6226 116.3513 -205851.7788 17703.8518 0.0000 0.0000 34428.0075 -148905.6012 300.6684 -183333.6088 -148806.6961 300.6549 30.5906 62.0603 556638.2574 10.3475 10.2700 PRESSURE: 2743800 88.9229 31.5271 -192.14 31.5278 -23.4751 60.1678 -192.14 60.1679 99.5852 GPRESSURE: 2743800 93.7078 80.5715 -165.141 -26.8152 42.5719 48.3613 -96.1898 26.7234 123.928 PRESSAVG: 2743800 16.6622 -26.6887 19.3053 -26.6887 15.7531 27.832 19.3053 27.8319 25.3515 GPRESSAVG: 2743800 18.085 -24.4484 17.1837 -27.6964 15.3767 26.3125 20.6931 30.6308 24.1677 TIMING: 2743800 CPU: 8182.03, 0.00297422/step Wall: 8182.03, 0.00297422/step, 1.86401 hours remaining, 207.757812 MB of memory in use. ENERGY: 2743800 693.5343 2102.9149 1929.8187 107.0830 -205796.7963 17714.6802 0.0000 0.0000 34298.4000 -148950.3653 299.5365 -183248.7652 -148848.6148 300.5522 55.0110 86.7359 557728.7087 19.2556 19.2098 PRESSURE: 2744000 -171.298 54.5355 59.5933 54.534 -219.555 29.067 59.5937 29.0665 -285.214 GPRESSURE: 2744000 -131.584 53.9957 30.1155 36.1678 -166.116 59.9488 57.2304 4.71155 -271.18 PRESSAVG: 2744000 -26.268 39.3594 66.2921 39.3595 -54.6646 44.782 66.2921 44.7819 84.6756 GPRESSAVG: 2744000 -25.7864 39.4298 65.5789 41.1412 -54.5168 45.1304 64.8009 43.3327 84.3243 TIMING: 2744000 CPU: 8182.63, 0.00299661/step Wall: 8182.63, 0.00299661/step, 1.87787 hours remaining, 207.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2744000 755.2712 2152.0268 1945.5669 107.0490 -205956.4494 17438.2482 0.0000 0.0000 34473.5535 -149084.7340 301.0661 -183558.2874 -148989.9787 299.6926 -225.3552 -189.6265 558994.1498 1.2477 1.3404 PRESSURE: 2744200 -105.666 -12.1886 187.631 -12.1875 11.6671 123.12 187.63 123.118 172.436 GPRESSURE: 2744200 -86.4513 -62.8248 108.202 -61.7547 56.8154 90.5379 201.983 106.639 214.99 PRESSAVG: 2744200 21.4553 10.324 11.0375 10.3241 -4.28213 -47.512 11.0375 -47.512 23.4927 GPRESSAVG: 2744200 20.5634 8.70976 12.6402 8.71024 -4.17237 -48.0964 9.53293 -44.518 23.9662 TIMING: 2744200 CPU: 8183.23, 0.00295557/step Wall: 8183.23, 0.00295557/step, 1.85199 hours remaining, 207.757812 MB of memory in use. ENERGY: 2744200 709.5287 2099.3324 1915.3089 109.7659 -205974.9531 17675.4339 0.0000 0.0000 34277.1580 -149188.4253 299.3509 -183465.5833 -149093.2630 299.9312 26.1458 61.7847 557132.3837 13.5553 13.4524 LDB: ============= START OF LOAD BALANCING ============== 8186.77 LDB: ============== END OF LOAD BALANCING =============== 8186.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8186.77 LDB: ============= START OF LOAD BALANCING ============== 8187.07 LDB: Largest compute 4773 load 0.027618 is 23.4% of average load 0.118227 LDB: Average compute 0.001744 is 1.5% of average load 0.118227 LDB: TIME 8187.07 LOAD: AVG 0.118227 MAX 0.203822 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.535 MB LDB: TIME 8187.07 LOAD: AVG 0.118227 MAX 0.203822 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.535 MB LDB: TIME 8187.07 LOAD: AVG 0.118227 MAX 0.203822 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.535 MB LDB: ============== END OF LOAD BALANCING =============== 8187.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8187.08 PRESSURE: 2744400 75.6628 79.9292 114.609 79.9286 130.446 78.4326 114.608 78.434 206.551 GPRESSURE: 2744400 127.234 18.5057 171.963 101.322 174.264 6.52245 147.82 80.2294 211.126 PRESSAVG: 2744400 -24.1789 -21.0018 -8.39975 -21.0017 -88.7231 -13.2182 -8.39971 -13.2183 58.1685 GPRESSAVG: 2744400 -23.335 -22.1268 -9.25239 -20.3944 -88.8369 -12.9885 -5.98742 -14.3503 57.4428 TIMING: 2744400 CPU: 8183.83, 0.00300921/step Wall: 8183.83, 0.00300921/step, 1.88544 hours remaining, 207.820312 MB of memory in use. ENERGY: 2744400 698.5361 2066.1514 1932.3541 122.4988 -206301.0441 18045.9711 0.0000 0.0000 34172.2800 -149263.2526 298.4350 -183435.5326 -149166.7901 299.1965 137.5533 170.8747 557673.7391 -18.2445 -18.2431 PRESSURE: 2744600 117.859 -27.8746 -84.7225 -27.8752 133.88 -68.4874 -84.723 -68.4877 -2.16575 GPRESSURE: 2744600 175.68 -44.4976 -40.1118 52.8096 142.77 -80.5767 -96.7111 -61.1575 17.9411 PRESSAVG: 2744600 31.5961 57.0829 -33.249 57.0828 12.3018 27.3371 -33.2491 27.3373 -3.6744 GPRESSAVG: 2744600 31.8662 58.4231 -33.5618 57.1664 12.4075 28.1895 -33.2213 24.7129 -3.57897 TIMING: 2744600 CPU: 8184.42, 0.0029527/step Wall: 8184.42, 0.0029527/step, 1.84987 hours remaining, 207.820312 MB of memory in use. ENERGY: 2744600 714.7068 2064.1085 1956.5392 112.2619 -206114.0906 17745.1566 0.0000 0.0000 34391.5089 -149129.8088 300.3496 -183521.3176 -149027.3996 298.8113 83.1911 112.1302 556483.6392 13.4078 13.5649 PRESSURE: 2744800 -198.252 -59.9488 38.663 -59.9477 -220.899 73.7371 38.6633 73.7367 123.567 GPRESSURE: 2744800 -228.747 -67.7248 78.2965 -73.1897 -169.287 103.88 109.049 41.0482 192.714 PRESSAVG: 2744800 16.2132 -47.9804 11.7211 -47.9805 -40.5204 -8.44095 11.7211 -8.44098 -4.70951 GPRESSAVG: 2744800 16.2239 -48.2451 12.5979 -45.7695 -40.5035 -8.94642 10.307 -6.79481 -4.64185 TIMING: 2744800 CPU: 8185.01, 0.0029464/step Wall: 8185.01, 0.0029464/step, 1.84576 hours remaining, 207.820312 MB of memory in use. ENERGY: 2744800 726.3204 2055.3413 1949.1288 113.2558 -205983.7312 17635.1538 0.0000 0.0000 34306.8806 -149197.6505 299.6105 -183504.5311 -149105.6694 299.6169 -98.5280 -68.4399 556634.1672 -9.6722 -9.6405 PRESSURE: 2745000 129.954 108.436 51.8922 108.437 -1.61625 -175.386 51.8912 -175.386 -78.5632 GPRESSURE: 2745000 153.618 102.095 94.06 86.0163 69.831 -220.105 30.1392 -49.4319 -73.7836 PRESSAVG: 2745000 -22.6492 -27.6567 61.6001 -27.6566 32.4563 -21.595 61.6002 -21.595 -9.54197 GPRESSAVG: 2745000 -23.0158 -27.6432 62.1591 -28.6024 33.0311 -22.5304 61.4919 -19.0876 -9.88489 TIMING: 2745000 CPU: 8185.6, 0.00294163/step Wall: 8185.6, 0.00294163/step, 1.8426 hours remaining, 207.937500 MB of memory in use. ENERGY: 2745000 733.9580 2123.3997 1929.8653 119.6146 -206017.5111 17587.3735 0.0000 0.0000 34281.0014 -149242.2986 299.3845 -183523.3000 -149136.8707 299.3014 16.5916 49.8883 556337.8553 0.0884 0.0435 PRESSURE: 2745200 79.4345 0.044343 -22.5813 0.0433509 -8.28019 47.6015 -22.5817 47.6034 -374.276 GPRESSURE: 2745200 65.661 29.7224 -82.7454 -68.6726 32.7143 82.534 10.563 94.5108 -297.945 PRESSAVG: 2745200 19.2888 8.52175 39.7578 8.52178 -9.36337 -37.2129 39.7577 -37.2128 -9.28269 GPRESSAVG: 2745200 18.9634 7.22363 39.0036 7.46397 -9.76626 -35.9137 41.0713 -40.028 -8.16137 TIMING: 2745200 CPU: 8186.18, 0.00293049/step Wall: 8186.18, 0.00293049/step, 1.83546 hours remaining, 207.937500 MB of memory in use. ENERGY: 2745200 759.2352 2086.6130 1935.3760 119.5612 -206050.9789 17605.0138 0.0000 0.0000 34164.7643 -149380.4155 298.3694 -183545.1798 -149280.8706 299.0371 -101.0404 -66.5234 557504.2489 0.2142 0.3453 PRESSURE: 2745400 10.0255 -85.1621 -96.9388 -85.1618 259.424 289.962 -96.9389 289.963 154.532 GPRESSURE: 2745400 3.91207 -134.119 -23.5727 -82.2008 357.27 273.089 -143.596 298.971 153.689 PRESSAVG: 2745400 13.7792 -17.9042 -6.71782 -17.9043 22.327 -41.0227 -6.71795 -41.0228 -14.9366 GPRESSAVG: 2745400 14.1572 -17.6808 -5.3745 -17.5595 21.9302 -42.063 -8.0132 -40.8704 -15.0363 TIMING: 2745400 CPU: 8186.78, 0.00298702/step Wall: 8186.78, 0.00298702/step, 1.8707 hours remaining, 207.937500 MB of memory in use. ENERGY: 2745400 741.5489 2089.1356 1946.9274 112.2854 -206395.9471 18002.9936 0.0000 0.0000 34262.5706 -149240.4857 299.2236 -183503.0562 -149140.5696 299.0835 141.3272 171.6236 555907.7632 7.0565 7.0170 PRESSURE: 2745600 138.304 4.06158 59.151 4.0616 -187.538 13.1601 59.1513 13.1588 -39.7323 GPRESSURE: 2745600 113.92 5.91397 11.9528 8.74273 -95.4689 -27.9786 192.148 -20.1043 -23.139 PRESSAVG: 2745600 54.6879 -41.2078 -23.5137 -41.2078 -44.4812 34.0258 -23.5138 34.0258 -19.0833 GPRESSAVG: 2745600 53.2242 -39.4094 -24.7276 -41.8252 -43.0819 32.9465 -23.5976 35.3972 -18.526 TIMING: 2745600 CPU: 8187.37, 0.00296271/step Wall: 8187.37, 0.00296271/step, 1.85532 hours remaining, 207.937500 MB of memory in use. ENERGY: 2745600 749.5067 2075.0616 1950.8990 115.2505 -205972.4332 17707.4077 0.0000 0.0000 34109.8706 -149264.4372 297.8900 -183374.3078 -149161.3729 299.8410 -29.6556 -1.5627 557089.1215 -2.9589 -2.7946 PRESSURE: 2745800 52.002 91.7465 -96.0471 91.7466 -167.374 -5.22883 -96.0482 -5.23142 -230.905 GPRESSURE: 2745800 111.513 127.905 -148.568 75.6038 -213.306 128.621 -100.802 -6.92156 -141.734 PRESSAVG: 2745800 47.5016 10.3628 -7.6302 10.3628 -27.677 6.662 -7.63033 6.66209 -8.62424 GPRESSAVG: 2745800 49.2117 10.7687 -6.69685 7.86704 -28.9985 6.73641 -7.05162 8.16568 -8.84848 TIMING: 2745800 CPU: 8187.96, 0.00296743/step Wall: 8187.96, 0.00296743/step, 1.85811 hours remaining, 207.937500 MB of memory in use. ENERGY: 2745800 801.2777 2110.3980 1929.2516 108.2253 -206338.0560 17837.2262 0.0000 0.0000 34193.8241 -149357.8532 298.6232 -183551.6773 -149266.2481 299.0500 -115.4258 -81.1760 557448.6741 3.7335 3.7882 PRESSURE: 2746000 8.85972 31.2538 264.252 31.2556 -56.5231 -88.9027 264.251 -88.9025 69.8164 GPRESSURE: 2746000 -1.90536 24.0411 251.934 63.4912 -17.71 -37.9516 128.97 -77.0928 130.17 PRESSAVG: 2746000 -4.1592 8.20109 42.4979 8.20103 -39.2625 55.319 42.4979 55.319 42.0566 GPRESSAVG: 2746000 -5.6961 6.49413 41.2476 11.1766 -38.3822 56.3132 42.694 53.4383 42.5006 TIMING: 2746000 CPU: 8188.55, 0.00295113/step Wall: 8188.55, 0.00295113/step, 1.84773 hours remaining, 207.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2746000 749.2341 2021.0016 1907.2300 108.4312 -206371.3744 17919.7011 0.0000 0.0000 34160.9165 -149504.8600 298.3358 -183665.7765 -149400.1932 298.4854 7.3843 36.8515 557691.0170 -0.4550 -0.5259 PRESSURE: 2746200 -21.2625 -157.835 68.6128 -157.834 -146.156 -126.022 68.6123 -126.021 -170.714 GPRESSURE: 2746200 44.108 -164.477 -5.98045 -117.783 -130.651 -116.935 152.704 -168.353 -151.24 PRESSAVG: 2746200 20.5506 59.8205 -22.733 59.8204 -14.1673 25.173 -22.7329 25.173 -30.0991 GPRESSAVG: 2746200 22.0514 60.1246 -21.6648 58.5138 -14.7429 27.7153 -24.59 23.8564 -31.002 TIMING: 2746200 CPU: 8189.15, 0.00295433/step Wall: 8189.15, 0.00295433/step, 1.84958 hours remaining, 207.937500 MB of memory in use. ENERGY: 2746200 783.8081 2057.0016 1930.1507 118.1159 -205963.0764 17593.3624 0.0000 0.0000 34187.8900 -149292.7477 298.5713 -183480.6377 -149193.8625 298.6823 -112.7108 -79.2612 557094.9092 -7.9053 -7.8978 PRESSURE: 2746400 -258.362 -11.5036 -8.2008 -11.5029 -337.571 -180.415 -8.20143 -180.414 -258.278 GPRESSURE: 2746400 -205.238 2.47656 -35.1966 -16.8859 -317.066 -160.538 -93.5907 -107.14 -234.685 PRESSAVG: 2746400 44.4381 -63.7673 -0.769762 -63.7673 1.82425 21.7128 -0.769746 21.7128 -7.52311 GPRESSAVG: 2746400 44.7933 -62.3315 -3.73118 -63.9363 1.24397 19.2218 0.659129 24.176 -7.34474 TIMING: 2746400 CPU: 8189.74, 0.00298998/step Wall: 8189.74, 0.00298998/step, 1.87173 hours remaining, 207.937500 MB of memory in use. ENERGY: 2746400 723.5397 2095.5953 1927.6188 101.5456 -205555.6927 17154.7758 0.0000 0.0000 34247.1813 -149305.4362 299.0892 -183552.6175 -149212.7083 298.6070 -284.7370 -252.3299 557239.9652 12.9131 12.8975 PRESSURE: 2746600 -282.952 -69.6042 -132.967 -69.6053 111.176 -18.8246 -132.967 -18.8249 13.9269 GPRESSURE: 2746600 -265.831 -92.487 -47.2912 -142.269 187.968 35.963 -200.704 14.6142 20.0515 PRESSAVG: 2746600 14.5893 27.3693 -35.0721 27.3692 41.5093 -4.36487 -35.0721 -4.36486 -79.6051 GPRESSAVG: 2746600 13.4939 25.5144 -32.7325 27.4112 41.7637 -5.95805 -34.6959 -5.40938 -78.4423 TIMING: 2746600 CPU: 8190.34, 0.00299596/step Wall: 8190.34, 0.00299596/step, 1.87531 hours remaining, 207.937500 MB of memory in use. ENERGY: 2746600 760.7680 2114.7334 1937.3817 100.6753 -206128.9949 17625.0738 0.0000 0.0000 34234.9963 -149355.3662 298.9827 -183590.3626 -149258.8884 299.2388 -52.6164 -19.2704 555905.6747 -7.8355 -7.7283 PRESSURE: 2746800 150.911 -72.7083 101.974 -72.7083 141.642 332.118 101.973 332.118 112.959 GPRESSURE: 2746800 190.758 -109.68 27.322 -24.5665 186.741 281.161 131.225 338.876 138.762 PRESSAVG: 2746800 -32.3362 -0.099919 -43.5861 -0.0999009 42.9089 28.0927 -43.5861 28.0927 -18.4679 GPRESSAVG: 2746800 -32.5151 1.23103 -47.0944 0.293288 42.8167 29.3303 -42.3826 28.3617 -18.362 TIMING: 2746800 CPU: 8190.94, 0.00299403/step Wall: 8190.94, 0.00299403/step, 1.87393 hours remaining, 207.937500 MB of memory in use. ENERGY: 2746800 752.7633 2093.8924 1936.8686 122.7206 -206435.2047 18008.8613 0.0000 0.0000 34278.6266 -149241.4720 299.3638 -183520.0986 -149150.1985 298.6559 135.1707 172.0870 556839.3747 -2.6317 -2.6868 PRESSURE: 2747000 -14.5079 111.107 -8.29552 111.106 -42.0454 -75.2876 -8.2948 -75.2875 98.3273 GPRESSURE: 2747000 7.67495 85.2584 -18.3024 101.185 -47.038 -264.025 -3.43795 -73.9692 185.148 PRESSAVG: 2747000 -65.6273 7.46533 -9.45993 7.46523 58.7081 13.8622 -9.45994 13.8623 1.01541 GPRESSAVG: 2747000 -65.4336 8.57365 -6.86024 7.04804 59.4733 12.4437 -12.2421 11.4976 0.0372723 TIMING: 2747000 CPU: 8191.54, 0.0029853/step Wall: 8191.54, 0.0029853/step, 1.8683 hours remaining, 207.937500 MB of memory in use. ENERGY: 2747000 766.7204 2141.5787 1931.4283 123.3848 -206144.4936 17836.9303 0.0000 0.0000 34338.2052 -149006.2458 299.8841 -183344.4510 -148907.9445 300.0127 13.9247 48.5950 557169.7152 -1.9679 -1.9743 PRESSURE: 2747200 -5.32713 -97.7008 82.8029 -97.701 -227.702 -42.7841 82.8028 -42.7844 -307.948 GPRESSURE: 2747200 27.2424 -76.9827 107.055 -171.641 -145.243 -39.6804 31.3073 -15.074 -320.944 PRESSAVG: 2747200 40.2108 -5.48006 -22.5844 -5.48009 -11.6311 1.38756 -22.5845 1.38754 -2.47275 GPRESSAVG: 2747200 40.4606 -7.31072 -24.1819 -5.29543 -12.78 2.1319 -20.2426 2.39468 -1.09073 TIMING: 2747200 CPU: 8192.13, 0.00296253/step Wall: 8192.13, 0.00296253/step, 1.85388 hours remaining, 207.937500 MB of memory in use. ENERGY: 2747200 765.2688 1989.3466 1955.9066 105.9307 -205856.1479 17729.1884 0.0000 0.0000 34387.9632 -148922.5435 300.3186 -183310.5067 -148828.2156 299.8891 -180.3258 -146.3147 559442.7930 8.7023 8.8633 PRESSURE: 2747400 4.97123 -139.469 -27 -139.469 -47.5634 -72.9318 -27.0012 -72.9314 223.742 GPRESSURE: 2747400 7.77598 -241.775 -58.971 -111.016 63.0141 -112.041 -30.6776 -59.1198 222.84 PRESSAVG: 2747400 3.59034 -6.2172 -1.53485 -6.21712 -58.9552 42.7763 -1.53481 42.7763 48.0882 GPRESSAVG: 2747400 3.95626 -6.36713 -1.46317 -5.84858 -57.8248 42.3275 -1.25893 44.0189 47.06 TIMING: 2747400 CPU: 8192.73, 0.00299858/step Wall: 8192.73, 0.00299858/step, 1.87628 hours remaining, 207.937500 MB of memory in use. ENERGY: 2747400 718.6799 2081.9756 1930.8988 118.5391 -205874.2226 17701.2237 0.0000 0.0000 34374.8913 -148948.0142 300.2045 -183322.9055 -148846.4416 299.8784 60.3831 97.8768 557918.9853 -2.4256 -2.2695 PRESSURE: 2747600 144.519 -14.5765 72.9697 -14.5766 126.93 -77.5763 72.9694 -77.5754 89.0568 GPRESSURE: 2747600 190.809 -30.337 77.7429 -20.4138 168.345 -18.6565 61.2201 -25.8008 95.6281 PRESSAVG: 2747600 -16.8329 58.8804 -34.0274 58.8804 -79.2355 -17.9274 -34.0275 -17.9275 7.31908 GPRESSAVG: 2747600 -16.3564 58.0514 -32.9156 60.223 -81.0824 -15.4325 -34.4201 -17.1563 8.65138 TIMING: 2747600 CPU: 8193.32, 0.00296576/step Wall: 8193.32, 0.00296576/step, 1.85558 hours remaining, 207.937500 MB of memory in use. ENERGY: 2747600 716.4223 2035.6910 1959.9258 127.0504 -206057.2107 17918.4233 0.0000 0.0000 34429.8892 -148869.8088 300.6848 -183299.6980 -148778.4664 300.4629 120.1686 151.5939 557502.0798 -29.5831 -29.5958 PRESSURE: 2747800 -132.196 -214.001 73.326 -214.001 -36.3957 81.4117 73.3253 81.411 141.771 GPRESSURE: 2747800 -98.4792 -235.133 144.959 -122.816 34.9236 63.6051 128.646 30.628 130.822 PRESSAVG: 2747800 24.5218 -17.1187 69.6668 -17.1187 -29.709 7.5205 69.6668 7.52051 -20.054 GPRESSAVG: 2747800 23.1738 -17.8806 70.1989 -17.3245 -27.4298 5.66726 70.4071 5.77536 -20.7107 TIMING: 2747800 CPU: 8193.91, 0.00294641/step Wall: 8193.91, 0.00294641/step, 1.84331 hours remaining, 207.937500 MB of memory in use. ENERGY: 2747800 729.0210 2094.8586 1976.3513 121.4210 -205969.3335 17661.4555 0.0000 0.0000 34344.1648 -149042.0612 299.9361 -183386.2260 -148950.9874 300.5406 -8.9404 22.4222 557584.3955 -8.4137 -8.3222 PRESSURE: 2748000 19.7765 70.8209 -102.158 70.822 -254.454 54.8146 -102.157 54.8161 36.9865 GPRESSURE: 2748000 105.706 65.3167 -179.981 10.5849 -263.851 46.1046 -83.5147 51.7241 64.7555 PRESSAVG: 2748000 44.7383 -26.892 2.97989 -26.8921 -70.5396 34.6079 2.97996 34.6079 8.17816 GPRESSAVG: 2748000 45.6534 -26.6145 0.134877 -28.3662 -70.8989 33.383 2.9372 35.8328 7.42824 TIMING: 2748000 CPU: 8194.51, 0.00296183/step Wall: 8194.51, 0.00296183/step, 1.85279 hours remaining, 207.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2748000 757.6692 2094.8168 1950.5568 124.6563 -205844.4290 17506.2873 0.0000 0.0000 34242.3737 -149168.0690 299.0472 -183410.4427 -149075.3045 299.4245 -65.8969 -31.1299 557801.1321 -5.8744 -5.9391 PRESSURE: 2748200 -286.539 -34.2465 14.2365 -34.2461 74.4002 -40.7399 14.2361 -40.742 175.63 GPRESSURE: 2748200 -272.019 -82.7866 48.4362 -52.7691 123.982 -28.9737 -23.2967 -32.0992 210.366 PRESSAVG: 2748200 26.3385 8.31728 -62.5514 8.31729 -8.92378 -6.87043 -62.5515 -6.87047 34.4939 GPRESSAVG: 2748200 25.8261 7.72649 -60.4167 8.79429 -8.92405 -4.65299 -64.3783 -7.22197 35.0297 TIMING: 2748200 CPU: 8195.1, 0.00295087/step Wall: 8195.1, 0.00295087/step, 1.84577 hours remaining, 207.937500 MB of memory in use. ENERGY: 2748200 790.6934 2081.2559 1974.1955 112.1818 -205840.8562 17591.5204 0.0000 0.0000 34274.5760 -149016.4332 299.3284 -183291.0092 -148919.0885 300.4020 -12.1697 20.7763 556626.9178 17.3029 17.3106 LDB: ============= START OF LOAD BALANCING ============== 8198.64 LDB: ============== END OF LOAD BALANCING =============== 8198.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8198.64 LDB: ============= START OF LOAD BALANCING ============== 8198.94 LDB: Largest compute 4773 load 0.026437 is 22.4% of average load 0.118285 LDB: Average compute 0.001748 is 1.5% of average load 0.118285 LDB: TIME 8198.94 LOAD: AVG 0.118285 MAX 0.205411 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 8198.94 LOAD: AVG 0.118285 MAX 0.205411 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.793 MB LDB: TIME 8198.94 LOAD: AVG 0.118285 MAX 0.205411 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.793 MB LDB: ============== END OF LOAD BALANCING =============== 8198.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8198.95 PRESSURE: 2748400 -62.6981 156.423 -9.74349 156.422 -44.3902 -204.93 -9.7449 -204.929 -15.1901 GPRESSURE: 2748400 -4.64039 105.538 -10.3596 104.477 11.3238 -203.834 -14.1531 -117.225 -19.8052 PRESSAVG: 2748400 -47.7001 -10.5842 39.2127 -10.5842 26.043 8.02097 39.2126 8.02112 39.8557 GPRESSAVG: 2748400 -48.2952 -9.29853 39.7785 -10.1325 25.9585 7.71599 40.2158 8.35977 40.8777 TIMING: 2748400 CPU: 8195.7, 0.00301074/step Wall: 8195.7, 0.00301074/step, 1.88305 hours remaining, 207.046875 MB of memory in use. ENERGY: 2748400 785.0266 2110.3251 1959.1079 104.6366 -206107.3438 17746.9403 0.0000 0.0000 34395.7187 -149005.5885 300.3864 -183401.3072 -148900.9708 300.2909 -40.7595 -4.3739 557596.1739 6.0662 6.1804 PRESSURE: 2748600 -243.945 8.75397 19.1668 8.7542 4.27366 131.863 19.167 131.861 11.3617 GPRESSURE: 2748600 -164.132 12.8676 105.787 -77.6643 -10.5378 142.815 77.5171 95.2318 53.0979 PRESSAVG: 2748600 -32.7523 -49.3655 32.2685 -49.3655 -28.8802 -29.9473 32.2686 -29.9474 10.0376 GPRESSAVG: 2748600 -31.8478 -49.2771 30.9726 -49.2366 -28.442 -31.3983 31.8151 -30.8991 8.85893 TIMING: 2748600 CPU: 8196.29, 0.0029672/step Wall: 8196.29, 0.0029672/step, 1.85565 hours remaining, 207.046875 MB of memory in use. ENERGY: 2748600 758.1888 2112.3430 1972.3960 120.0437 -205968.7448 17647.1793 0.0000 0.0000 34329.0889 -149029.5050 299.8045 -183358.5940 -148937.6021 299.7464 -76.1031 -40.5239 558779.1791 -17.1983 -17.1436 PRESSURE: 2748800 -12.9924 44.2054 17.2454 44.2066 -12.4334 -7.35043 17.2458 -7.35181 -173.234 GPRESSURE: 2748800 -34.3689 0.476537 50.812 82.1272 11.0285 -9.77209 18.0622 -15.9437 -89.0622 PRESSAVG: 2748800 16.744 39.0139 75.1015 39.0137 -31.2888 19.5782 75.1016 19.5783 21.0416 GPRESSAVG: 2748800 16.0255 38.8304 76.8208 38.5696 -30.9136 21.0308 73.2071 20.0816 21.2106 TIMING: 2748800 CPU: 8196.89, 0.00297815/step Wall: 8196.89, 0.00297815/step, 1.86233 hours remaining, 207.046875 MB of memory in use. ENERGY: 2748800 753.9779 2111.8283 1957.4086 134.4534 -205877.2376 17692.1942 0.0000 0.0000 34195.6971 -149031.6780 298.6395 -183227.3752 -148937.7519 298.8222 -66.2199 -37.4675 558361.4905 2.1656 2.1075 PRESSURE: 2749000 96.6803 184.545 -9.89271 184.545 47.9198 -19.721 -9.89294 -19.7208 -45.445 GPRESSURE: 2749000 115.261 165.768 -25.2826 189.793 79.5828 40.9623 -17.1158 20.1712 -3.71339 PRESSAVG: 2749000 16.3611 30.7209 33.0261 30.7208 31.8756 15.8686 33.0261 15.8687 -49.8582 GPRESSAVG: 2749000 16.8608 30.3338 29.6506 31.035 31.825 15.485 37.3159 15.8622 -50.1892 TIMING: 2749000 CPU: 8197.48, 0.00295772/step Wall: 8197.48, 0.00295772/step, 1.8494 hours remaining, 207.246094 MB of memory in use. ENERGY: 2749000 755.5124 2125.4458 1939.1422 125.8814 -206374.7138 17960.4846 0.0000 0.0000 34233.3007 -149234.9467 298.9679 -183468.2474 -149138.5596 299.2308 33.0517 63.7101 557859.9985 -0.5405 -0.5011 PRESSURE: 2749200 -46.942 -85.1272 42.3346 -85.1273 -70.8968 -91.2135 42.3341 -91.2135 116.226 GPRESSURE: 2749200 8.9031 -115.702 70.5326 -124.039 -45.4358 -113.615 67.7643 -112.507 121.56 PRESSAVG: 2749200 21.6189 69.0415 33.0809 69.0416 76.5401 -19.9521 33.081 -19.9521 -55.8339 GPRESSAVG: 2749200 21.5549 69.7678 35.054 68.9021 75.877 -21.5784 31.6821 -19.342 -54.9792 TIMING: 2749200 CPU: 8198.07, 0.0029681/step Wall: 8198.07, 0.0029681/step, 1.85572 hours remaining, 207.246094 MB of memory in use. ENERGY: 2749200 757.9770 2083.4190 1936.7214 127.8289 -206357.1920 17801.0275 0.0000 0.0000 34595.9501 -149054.2680 302.1350 -183650.2181 -148959.9734 299.5084 -0.5374 28.3423 556774.5882 14.1084 14.1509 PRESSURE: 2749400 24.8113 22.7161 126.152 22.7169 -315.908 125.075 126.152 125.073 -288.301 GPRESSURE: 2749400 35.6091 28.4366 158.884 73.7021 -289.352 196.957 -9.41126 138.705 -222.092 PRESSAVG: 2749400 34.4491 -28.5636 13.5582 -28.5636 -27.1158 -21.8761 13.5583 -21.876 12.6915 GPRESSAVG: 2749400 34.7046 -28.3794 13.2049 -29.5949 -25.9031 -21.0703 11.7314 -21.1766 11.226 TIMING: 2749400 CPU: 8198.66, 0.00295287/step Wall: 8198.66, 0.00295287/step, 1.84603 hours remaining, 207.246094 MB of memory in use. ENERGY: 2749400 770.9975 2100.3599 1928.8872 110.1781 -205592.2908 17309.0838 0.0000 0.0000 34360.5305 -149012.2537 300.0791 -183372.7842 -148912.1985 299.9082 -193.1327 -158.6115 556442.5100 6.6749 6.6759 PRESSURE: 2749600 -148.282 9.91418 97.0884 9.9127 -87.1189 94.9912 97.089 94.9901 -6.9612 GPRESSURE: 2749600 -109.84 41.0418 164.133 28.6751 -44.037 110.393 69.848 176.136 12.6361 PRESSAVG: 2749600 -20.4543 -8.00495 46.6814 -8.00497 -22.5787 6.85359 46.6815 6.85367 27.1689 GPRESSAVG: 2749600 -20.7239 -8.09194 47.3279 -7.48021 -23.6528 8.27914 46.1439 4.7585 28.436 TIMING: 2749600 CPU: 8199.25, 0.00295003/step Wall: 8199.25, 0.00295003/step, 1.84409 hours remaining, 207.246094 MB of memory in use. ENERGY: 2749600 779.0132 2065.4892 1959.4545 100.4574 -205926.8933 17648.5835 0.0000 0.0000 34246.3488 -149127.5466 299.0819 -183373.8954 -149030.0740 299.7447 -80.7875 -47.0804 557342.4439 -5.2880 -5.3136 PRESSURE: 2749800 -203.854 -71.4667 307.701 -71.4667 87.2344 106.048 307.701 106.049 -31.9218 GPRESSURE: 2749800 -168.417 5.89075 236.901 -68.3255 127.989 53.6398 276.913 121.927 -15.4952 PRESSAVG: 2749800 -58.8515 -22.769 45.1906 -22.769 15.3349 1.48531 45.1906 1.4853 29.6453 GPRESSAVG: 2749800 -59.6135 -22.2509 42.5504 -24.2235 16.4889 0.242223 48.0107 2.20935 29.4459 TIMING: 2749800 CPU: 8199.84, 0.00295438/step Wall: 8199.84, 0.00295438/step, 1.84665 hours remaining, 207.246094 MB of memory in use. ENERGY: 2749800 737.0429 2116.4079 1972.9773 122.4444 -206052.1363 17755.6316 0.0000 0.0000 34250.1957 -149097.4364 299.1155 -183347.6322 -149000.4037 299.2906 -49.5137 -18.6409 557123.7578 -4.6238 -4.5596 PRESSURE: 2750000 -142.153 -92.5975 62.6063 -92.597 -32.7925 -82.6004 62.6078 -82.6016 108.217 GPRESSURE: 2750000 -133.982 -103.103 -76.0362 -98.0664 -15.5297 -117.508 156.829 -99.9063 184.438 PRESSAVG: 2750000 -33.7827 11.6593 34.6433 11.6593 52.9777 -35.3441 34.6432 -35.344 18.1759 GPRESSAVG: 2750000 -33.5657 11.0185 35.6595 13.3837 52.675 -32.7991 33.8939 -36.3758 18.7434 TIMING: 2750000 CPU: 8200.44, 0.00297645/step Wall: 8200.44, 0.00297645/step, 1.86028 hours remaining, 207.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2750000 735.6166 2103.5258 1952.5267 125.9361 -206336.7233 17937.4421 0.0000 0.0000 34568.0206 -148913.6555 301.8911 -183481.6762 -148818.9243 300.1921 -22.2429 11.6420 557800.4768 12.4570 12.6176 PRESSURE: 2750200 81.5044 156.094 219.779 156.094 -12.478 -23.5775 219.78 -23.5779 242.596 GPRESSURE: 2750200 141.089 117.458 215.69 140.259 -0.455055 39.5763 252.318 -76.8264 267.755 PRESSAVG: 2750200 -20.1568 -25.2973 47.3266 -25.2973 -25.3303 -29.615 47.3266 -29.615 77.9695 GPRESSAVG: 2750200 -20.262 -24.7973 48.0622 -25.7096 -25.8078 -32.334 45.0196 -26.9114 78.6248 TIMING: 2750200 CPU: 8201.03, 0.00296341/step Wall: 8201.03, 0.00296341/step, 1.85197 hours remaining, 207.246094 MB of memory in use. ENERGY: 2750200 752.2940 2102.2088 1983.0890 116.8349 -206196.0271 17987.6643 0.0000 0.0000 34265.8022 -148988.1340 299.2518 -183253.9362 -148893.8349 300.2952 103.8742 136.1295 557342.3739 10.8275 10.8516 PRESSURE: 2750400 20.2123 -49.1605 -23.8125 -49.1608 170.884 -199.992 -23.8101 -199.992 150.55 GPRESSURE: 2750400 32.3186 -64.4245 -31.1241 -13.6687 167.446 -173.764 -22.2107 -252.241 233.441 PRESSAVG: 2750400 30.3564 15.584 35.1745 15.5839 -35.0545 1.6418 35.1744 1.64187 31.3309 GPRESSAVG: 2750400 30.5898 15.9041 36.8999 16.1322 -35.7319 1.34685 35.8443 1.79466 31.598 TIMING: 2750400 CPU: 8201.62, 0.00294782/step Wall: 8201.62, 0.00294782/step, 1.84206 hours remaining, 207.246094 MB of memory in use. ENERGY: 2750400 771.9598 2095.3694 1932.5436 108.3863 -206360.7411 18129.4068 0.0000 0.0000 34420.3275 -148902.7477 300.6013 -183323.0752 -148803.7333 300.0799 113.8821 144.4020 559062.8262 8.8776 8.8186 PRESSURE: 2750600 -59.0248 15.7118 1.28594 15.7143 -103.821 -20.9837 1.28649 -20.9846 -288.628 GPRESSURE: 2750600 -32.8993 87.1103 87.7327 -6.94501 -38.9976 2.67466 8.02508 -38.1884 -274.739 PRESSAVG: 2750600 51.4835 -2.11933 -64.8929 -2.11928 14.5822 -6.64915 -64.8929 -6.64928 -70.3301 GPRESSAVG: 2750600 52.2094 -4.21181 -65.2793 -1.59042 14.7966 -6.00046 -65.7062 -8.02922 -71.104 TIMING: 2750600 CPU: 8202.21, 0.0029638/step Wall: 8202.21, 0.0029638/step, 1.85188 hours remaining, 207.246094 MB of memory in use. ENERGY: 2750600 772.5240 2094.7950 1956.5232 108.2024 -205984.1301 17794.1107 0.0000 0.0000 34273.5817 -148984.3931 299.3197 -183257.9748 -148881.3895 300.0227 -150.4911 -115.5452 559610.7871 -1.4214 -1.3660 PRESSURE: 2750800 -189.906 -75.6488 -33.9116 -75.6481 -50.0464 223.541 -33.9111 223.541 99.016 GPRESSURE: 2750800 -202.375 -29.2193 -30.1537 -100.757 39.1941 169.662 -29.6659 254.393 121.372 PRESSAVG: 2750800 34.83 59.9516 -50.3769 59.9517 18.196 6.29648 -50.3768 6.29644 -11.0993 GPRESSAVG: 2750800 33.3977 60.1704 -50.2745 57.8349 19.6789 6.32287 -50.6641 5.45831 -10.7586 TIMING: 2750800 CPU: 8202.8, 0.00295121/step Wall: 8202.8, 0.00295121/step, 1.84385 hours remaining, 207.246094 MB of memory in use. ENERGY: 2750800 764.0040 2182.9696 1948.2057 116.1536 -206152.7192 17760.5409 0.0000 0.0000 34580.8685 -148799.9768 302.0033 -183380.8454 -148705.1650 300.7679 -46.9788 -13.9366 557725.8229 13.9756 14.1060 PRESSURE: 2751000 246.958 0.939835 -128.687 0.941587 51.2279 206.274 -128.688 206.274 168.187 GPRESSURE: 2751000 251.039 1.11158 -137.727 68.2618 106.796 193.748 -102.03 257.849 203.809 PRESSAVG: 2751000 -5.4846 -27.916 14.8865 -27.916 9.96843 94.6315 14.8865 94.6315 23.5579 GPRESSAVG: 2751000 -4.14474 -26.2639 15.2378 -26.326 8.74338 94.3623 13.5603 96.9264 23.1634 TIMING: 2751000 CPU: 8203.4, 0.00295379/step Wall: 8203.4, 0.00295379/step, 1.8453 hours remaining, 207.246094 MB of memory in use. ENERGY: 2751000 735.0422 2083.0978 1944.7432 108.7961 -206441.4922 18029.1584 0.0000 0.0000 34641.3875 -148899.2669 302.5319 -183540.6544 -148794.5160 300.6588 155.4575 187.2147 556279.2947 9.3472 9.2540 PRESSURE: 2751200 -67.6057 -51.3474 104.242 -51.3476 -100.647 -59.4376 104.241 -59.4375 -62.2449 GPRESSURE: 2751200 -50.76 -44.5862 85.585 -58.9845 -65.1025 -69.9827 96.9708 -142.404 -22.0937 PRESSAVG: 2751200 -21.097 -2.96892 64.0975 -2.96888 1.78382 10.5955 64.0975 10.5955 13.2341 GPRESSAVG: 2751200 -21.7702 -4.96215 64.1399 -4.18642 2.29831 10.0288 66.8399 9.61885 13.1471 TIMING: 2751200 CPU: 8203.99, 0.00296359/step Wall: 8203.99, 0.00296359/step, 1.85125 hours remaining, 207.246094 MB of memory in use. ENERGY: 2751200 734.3504 2104.6990 1953.3830 122.7779 -205775.0996 17509.0929 0.0000 0.0000 34271.2669 -149079.5294 299.2995 -183350.7963 -148979.3523 300.1619 -76.8327 -45.9854 556275.0028 -2.0264 -2.1082 PRESSURE: 2751400 154.553 -0.870438 65.7725 -0.872519 -115.148 20.6726 65.7734 20.6712 97.2838 GPRESSURE: 2751400 132.682 -73.1134 13.0708 38.2996 -3.62973 97.0424 102.315 -39.3523 109.601 PRESSAVG: 2751400 12.8754 49.0402 12.3931 49.0402 -23.988 24.3094 12.3931 24.3093 -1.37775 GPRESSAVG: 2751400 10.9525 50.0732 11.7281 48.5385 -22.4839 26.2714 12.3992 23.0115 -1.3754 TIMING: 2751400 CPU: 8204.58, 0.00294984/step Wall: 8204.58, 0.00294984/step, 1.8425 hours remaining, 207.246094 MB of memory in use. ENERGY: 2751400 747.8462 2104.0917 1947.5576 109.7068 -206177.0586 17808.8535 0.0000 0.0000 34285.1334 -149173.8693 299.4206 -183459.0028 -149075.1647 299.6883 45.5630 79.5513 555913.0070 -4.1635 -4.3023 PRESSURE: 2751600 387.166 68.0821 -26.6501 68.0819 70.025 13.3225 -26.6493 13.3229 -44.5394 GPRESSURE: 2751600 417.81 76.1268 -85.8634 25.4466 150.389 55.4394 44.1958 33.8861 -45.8552 PRESSAVG: 2751600 6.94474 -2.21638 4.72732 -2.21633 41.984 -2.78903 4.72732 -2.78904 -45.7242 GPRESSAVG: 2751600 8.16087 -1.60211 3.66599 -1.88979 41.3651 -4.70215 3.42853 -2.32981 -45.7537 TIMING: 2751600 CPU: 8205.17, 0.00296311/step Wall: 8205.17, 0.00296311/step, 1.85063 hours remaining, 207.246094 MB of memory in use. ENERGY: 2751600 791.0972 2083.0890 1948.2958 103.9984 -206303.6895 17997.7628 0.0000 0.0000 34285.5530 -149093.8934 299.4243 -183379.4464 -148996.1657 299.4126 137.5506 174.1145 555892.3648 1.0682 1.2574 PRESSURE: 2751800 173.963 -121.177 -66.9504 -121.177 -76.9671 -231.46 -66.9503 -231.458 -6.18319 GPRESSURE: 2751800 143.26 -157.551 -32.4139 -120.183 -36.1639 -167.653 -81.3326 -234.302 78.3047 PRESSAVG: 2751800 13.1256 -21.4387 52.0774 -21.4389 17.7178 -22.428 52.0774 -22.4281 1.50798 GPRESSAVG: 2751800 12.2671 -22.5803 52.396 -18.5967 16.7189 -21.8794 52.91 -22.098 3.46499 TIMING: 2751800 CPU: 8205.76, 0.00294638/step Wall: 8205.76, 0.00294638/step, 1.84001 hours remaining, 207.246094 MB of memory in use. ENERGY: 2751800 790.5150 2104.7136 1945.0196 112.4330 -206475.8791 17907.0791 0.0000 0.0000 34435.9787 -149180.1400 300.7380 -183616.1188 -149085.3567 300.0805 30.2710 61.8001 556322.7893 10.7838 10.8170 PRESSURE: 2752000 -47.4277 -135.915 104.297 -135.915 -120.415 -138.193 104.298 -138.193 107.546 GPRESSURE: 2752000 11.8465 -93.6857 54.5974 -59.4884 -105.35 -112.108 99.5763 -146.785 131.86 PRESSAVG: 2752000 4.85615 12.3696 31.9877 12.3695 15.6755 -10.0112 31.9879 -10.0112 46.9545 GPRESSAVG: 2752000 5.09953 12.5772 32.3986 10.7334 16.7626 -8.86271 34.5523 -11.0366 45.6763 TIMING: 2752000 CPU: 8206.35, 0.00297324/step Wall: 8206.35, 0.00297324/step, 1.85662 hours remaining, 207.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2752000 741.5140 2099.5501 1947.7514 115.5436 -206510.2998 17791.7188 0.0000 0.0000 34343.0846 -149471.1372 299.9267 -183814.2218 -149379.8733 298.6243 -20.0989 12.7854 555672.1837 22.4954 22.5128 PRESSURE: 2752200 -209.825 -55.6511 54.8006 -55.6504 -184.464 74.2451 54.8014 74.2446 -160.787 GPRESSURE: 2752200 -207.533 -0.198887 26.6494 -55.0323 -191.788 57.4408 44.7739 63.1528 -56.3909 PRESSAVG: 2752200 -41.877 -5.23902 -39.9412 -5.23905 -31.0061 3.59738 -39.9413 3.59754 73.8535 GPRESSAVG: 2752200 -42.0602 -5.42158 -41.7034 -6.84587 -31.3315 3.01817 -40.9213 2.97923 74.3994 TIMING: 2752200 CPU: 8206.95, 0.00296869/step Wall: 8206.95, 0.00296869/step, 1.85362 hours remaining, 207.246094 MB of memory in use. ENERGY: 2752200 770.7315 2064.8211 1979.2114 114.5801 -206083.2605 17707.4183 0.0000 0.0000 34156.4785 -149290.0197 298.2970 -183446.4981 -149194.9255 299.1587 -185.0255 -151.9039 559583.1961 0.3235 0.3359 LDB: ============= START OF LOAD BALANCING ============== 8210.5 LDB: ============== END OF LOAD BALANCING =============== 8210.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8210.5 LDB: ============= START OF LOAD BALANCING ============== 8210.8 LDB: Largest compute 4773 load 0.027077 is 22.9% of average load 0.118249 LDB: Average compute 0.001741 is 1.5% of average load 0.118249 LDB: TIME 8210.8 LOAD: AVG 0.118249 MAX 0.204735 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 8210.8 LOAD: AVG 0.118249 MAX 0.204735 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 8210.8 LOAD: AVG 0.118249 MAX 0.204735 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8210.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8210.8 PRESSURE: 2752400 -14.972 111.321 -56.9211 111.32 69.8266 -107.661 -56.9224 -107.661 7.44857 GPRESSURE: 2752400 33.0936 129.25 -183.761 49.1322 67.7685 -56.0918 -100.462 -86.7182 64.1713 PRESSAVG: 2752400 21.9349 43.0673 -12.5475 43.0673 -1.92164 8.6068 -12.5476 8.60685 -2.90598 GPRESSAVG: 2752400 21.9749 42.4978 -12.2059 45.0201 -2.18091 9.35928 -13.269 9.48774 -2.39014 TIMING: 2752400 CPU: 8207.55, 0.00303059/step Wall: 8207.55, 0.00303059/step, 1.8921 hours remaining, 207.246094 MB of memory in use. ENERGY: 2752400 719.4236 2074.9081 1955.8481 117.6891 -206347.9352 17970.7767 0.0000 0.0000 34159.5962 -149349.6935 298.3242 -183509.2897 -149246.5988 299.1570 20.7677 55.0111 557234.3342 5.7024 5.8013 PRESSURE: 2752600 -205.153 91.2393 -85.5509 91.2396 -324.176 -144.991 -85.5508 -144.992 61.9768 GPRESSURE: 2752600 -218.108 102.003 -13.3201 130.019 -212.745 -128.626 -90.5899 -139.728 61.4465 PRESSAVG: 2752600 38.7025 48.6908 -88.368 48.6908 -7.70304 -46.7934 -88.368 -46.7933 -27.3346 GPRESSAVG: 2752600 39.017 50.4654 -85.9188 47.1424 -6.74543 -47.5666 -88.6752 -46.2808 -28.2272 TIMING: 2752600 CPU: 8208.15, 0.00297696/step Wall: 8208.15, 0.00297696/step, 1.85845 hours remaining, 207.449219 MB of memory in use. ENERGY: 2752600 743.4803 2066.9678 1961.1522 119.9057 -205995.5839 17546.5386 0.0000 0.0000 34115.6559 -149441.8835 297.9405 -183557.5394 -149344.1707 298.8663 -155.7839 -123.1355 558100.9305 1.2216 1.3481 PRESSURE: 2752800 -251.568 -225.096 -63.1314 -225.096 -168.6 87.9144 -63.1318 87.9164 73.2937 GPRESSURE: 2752800 -226.822 -171.91 -14.3191 -220.752 -107.809 99.6093 -90.1452 -17.9788 87.5818 PRESSAVG: 2752800 0.471728 -11.0232 31.9023 -11.0232 -78.5012 -41.6206 31.9024 -41.6207 72.5224 GPRESSAVG: 2752800 1.45766 -10.188 31.0127 -11.4623 -78.4007 -44.0119 32.3679 -40.9501 71.8405 TIMING: 2752800 CPU: 8208.74, 0.00297152/step Wall: 8208.74, 0.00297152/step, 1.85489 hours remaining, 207.449219 MB of memory in use. ENERGY: 2752800 747.4344 2104.2490 1938.5210 109.9250 -206181.0518 17719.1314 0.0000 0.0000 33988.2999 -149573.4912 296.8283 -183561.7911 -149479.3532 297.9033 -115.6246 -82.3500 558257.8522 -1.8357 -1.7009 PRESSURE: 2753000 133.915 146.985 -123.725 146.986 -111.369 75.0443 -123.726 75.042 3.63489 GPRESSURE: 2753000 174.853 2.11059 -159.484 189.731 -60.3487 147.302 -89.4645 129.548 21.6321 PRESSAVG: 2753000 13.6254 11.6899 -1.12062 11.6898 -63.6896 3.26999 -1.12067 3.2699 51.4572 GPRESSAVG: 2753000 13.2606 10.1963 -2.60815 11.8775 -64.1388 3.206 -1.93221 3.39915 52.6265 TIMING: 2753000 CPU: 8209.34, 0.00295963/step Wall: 8209.34, 0.00295963/step, 1.8473 hours remaining, 207.449219 MB of memory in use. ENERGY: 2753000 754.6625 2068.3622 1935.2843 110.0520 -206794.5487 18045.4738 0.0000 0.0000 34330.1445 -149550.5695 299.8137 -183880.7140 -149455.3671 298.8265 8.7270 45.3789 555883.2536 0.4644 0.5827 PRESSURE: 2753200 133.677 88.2936 90.5293 88.2936 -201.224 -79.498 90.5304 -79.4987 38.0138 GPRESSURE: 2753200 167.519 71.2479 108.011 117.693 -178.296 -134.429 139.004 -82.2149 83.2133 PRESSAVG: 2753200 73.8932 11.5756 -63.1082 11.5756 -18.4371 -32.2571 -63.1084 -32.257 -41.4708 GPRESSAVG: 2753200 74.3183 13.0447 -62.261 11.5231 -19.2001 -32.4464 -61.366 -32.7962 -41.0004 TIMING: 2753200 CPU: 8209.93, 0.00295685/step Wall: 8209.93, 0.00295685/step, 1.8454 hours remaining, 207.449219 MB of memory in use. ENERGY: 2753200 726.9092 2086.8151 1925.7611 117.9113 -205958.4580 17669.5082 0.0000 0.0000 34091.6587 -149339.8944 297.7309 -183431.5531 -149245.4261 298.7775 -9.8444 24.1455 557404.5268 4.6618 4.7059 PRESSURE: 2753400 268.891 0.395338 -3.21684 0.397397 43.5819 -68.0243 -3.21553 -68.0231 -341.028 GPRESSURE: 2753400 257.46 3.68417 -3.0277 -18.4117 63.0875 -62.5464 9.21048 -105.16 -247.377 PRESSAVG: 2753400 50.2885 28.8144 9.31176 28.8144 -26.8226 9.17153 9.31179 9.17164 -13.7433 GPRESSAVG: 2753400 49.8999 27.2846 11.6501 28.5149 -26.1638 10.7266 5.75966 8.52279 -14.1169 TIMING: 2753400 CPU: 8210.52, 0.00294728/step Wall: 8210.52, 0.00294728/step, 1.83926 hours remaining, 207.449219 MB of memory in use. ENERGY: 2753400 723.7934 2043.1822 1957.7026 109.3510 -206221.7784 17914.4076 0.0000 0.0000 34271.3178 -149202.0239 299.2999 -183473.3417 -149104.2393 298.8954 -9.5183 24.3902 558422.5296 3.2408 3.2064 PRESSURE: 2753600 75.1995 -87.0923 -52.3709 -87.0925 174.882 32.5322 -52.37 32.5319 -29.4181 GPRESSURE: 2753600 116.115 31.2212 -68.0963 -177.164 177.313 61.3402 -62.5303 18.3072 6.60999 PRESSAVG: 2753600 96.3532 -12.5562 13.9287 -12.556 -23.9267 0.545014 13.9288 0.545014 -43.0584 GPRESSAVG: 2753600 96.5821 -11.2469 8.86145 -12.1838 -23.765 1.03848 17.237 0.418108 -43.3753 TIMING: 2753600 CPU: 8211.11, 0.00294973/step Wall: 8211.11, 0.00294973/step, 1.84063 hours remaining, 207.449219 MB of memory in use. ENERGY: 2753600 747.2679 2116.8317 1925.7414 112.0232 -206361.8707 17919.0579 0.0000 0.0000 34165.1772 -149375.7715 298.3730 -183540.9487 -149279.8353 299.0530 73.5546 100.0125 556601.5848 9.7894 9.8139 PRESSURE: 2753800 -103.831 -140.323 8.00177 -140.324 -127.43 -61.2121 8.00089 -61.2127 -240.209 GPRESSURE: 2753800 -68.184 -62.5823 54.4203 -134.018 -117.808 -96.7612 -45.0301 11.6408 -201.054 PRESSAVG: 2753800 33.0103 10.0015 28.8452 10.0016 7.94069 41.2897 28.8452 41.2898 -19.3481 GPRESSAVG: 2753800 33.9886 10.6159 31.4209 9.62533 6.71724 40.4993 27.7738 43.202 -19.4951 TIMING: 2753800 CPU: 8211.7, 0.00298112/step Wall: 8211.7, 0.00298112/step, 1.86006 hours remaining, 207.449219 MB of memory in use. ENERGY: 2753800 773.5156 2123.3400 1924.9715 105.3960 -205958.3995 17409.9024 0.0000 0.0000 34116.4515 -149504.8224 297.9475 -183621.2739 -149407.0438 298.9767 -157.1562 -129.0156 556898.2311 7.2009 7.0703 PRESSURE: 2754000 26.5066 58.4679 56.5363 58.4677 -254.713 67.1118 56.5362 67.1118 123.124 GPRESSURE: 2754000 77.7444 130.732 52.9753 -2.05794 -209.287 89.6146 44.5562 111.237 124.889 PRESSAVG: 2754000 -7.46745 9.09612 2.76394 9.09615 -0.719657 2.62586 2.76391 2.62584 34.2068 GPRESSAVG: 2754000 -8.77967 7.15068 2.71096 12.3993 1.00434 3.44403 3.02879 0.751962 33.7676 TIMING: 2754000 CPU: 8212.29, 0.00294349/step Wall: 8212.29, 0.00294349/step, 1.83641 hours remaining, 207.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2754000 738.0638 2102.3753 1940.1284 101.9638 -206056.5166 17668.9935 0.0000 0.0000 34188.9811 -149316.0107 298.5809 -183504.9918 -149222.4968 298.4870 -35.0275 -2.2180 557119.9594 8.6732 8.6641 PRESSURE: 2754200 -45.0127 -57.6627 117.301 -57.6618 198.101 -17.3074 117.301 -17.3079 -198.202 GPRESSURE: 2754200 -37.4232 -6.00564 95.0283 -42.6014 223.97 -22.1138 11.7791 -78.2492 -137.897 PRESSAVG: 2754200 -57.2706 7.92759 1.05678 7.92757 9.15302 -37.6228 1.05685 -37.6228 49.8718 GPRESSAVG: 2754200 -56.7724 7.68879 -0.581392 6.74836 8.73916 -37.6744 0.597903 -35.447 49.2222 TIMING: 2754200 CPU: 8212.87, 0.00291231/step Wall: 8212.87, 0.00291231/step, 1.81679 hours remaining, 207.449219 MB of memory in use. ENERGY: 2754200 768.2571 2124.8191 1932.3544 106.0282 -206213.4169 17809.4148 0.0000 0.0000 34331.6233 -149140.9201 299.8266 -183472.5434 -149046.6916 299.2583 -15.0380 16.2163 556071.5704 0.5847 0.3963 PRESSURE: 2754400 121.648 103.22 117.513 103.22 -149.15 -46.5289 117.513 -46.5275 -51.9003 GPRESSURE: 2754400 193.954 143.277 82.716 89.7104 -74.1301 -56.7655 93.8933 -32.2557 -97.9545 PRESSAVG: 2754400 12.7036 23.6304 -30.6605 23.6302 9.74043 -1.22453 -30.6605 -1.22459 30.6022 GPRESSAVG: 2754400 11.1611 26.3261 -30.1973 21.717 10.0587 -1.62861 -30.5491 -1.65517 31.5533 TIMING: 2754400 CPU: 8213.46, 0.00295462/step Wall: 8213.46, 0.00295462/step, 1.84303 hours remaining, 207.449219 MB of memory in use. ENERGY: 2754400 732.2753 2084.8330 1950.0692 108.7391 -206457.6572 17959.9143 0.0000 0.0000 34390.5288 -149231.2976 300.3410 -183621.8264 -149127.1790 299.6949 -26.4672 7.2900 557268.3129 17.6821 17.5910 PRESSURE: 2754600 -96.6943 -21.1014 -125.108 -21.1006 7.73369 34.5537 -125.108 34.5532 109.332 GPRESSURE: 2754600 -74.0372 -14.2201 -81.7487 -29.4377 91.4213 82.6178 -132.45 11.9316 108.732 PRESSAVG: 2754600 23.7246 18.3786 5.40198 18.3786 -92.1653 19.8939 5.40201 19.8939 79.6208 GPRESSAVG: 2754600 23.3556 15.1907 8.55196 20.2369 -91.3285 21.2276 5.13491 17.866 78.8261 TIMING: 2754600 CPU: 8214.06, 0.00297927/step Wall: 8214.06, 0.00297927/step, 1.85823 hours remaining, 207.449219 MB of memory in use. ENERGY: 2754600 738.3412 2066.8022 1918.4277 113.7390 -206554.6810 17850.9167 0.0000 0.0000 34439.8675 -149426.5867 300.7719 -183866.4542 -149325.3105 299.0301 6.7905 42.0387 556337.0414 3.7267 3.6178 PRESSURE: 2754800 70.2 -39.1278 -12.0446 -39.1268 8.26734 162.718 -12.0466 162.718 -23.0456 GPRESSURE: 2754800 114.809 5.89 27.004 -130.543 25.9938 84.3455 -48.3426 176.64 16.7383 PRESSAVG: 2754800 11.5006 -2.04925 -20.5674 -2.04934 -7.99414 43.9904 -20.5674 43.9904 30.6777 GPRESSAVG: 2754800 12.6058 -0.713691 -24.6543 -3.71202 -9.76633 43.3911 -18.9376 45.5261 31.7756 TIMING: 2754800 CPU: 8214.66, 0.00297254/step Wall: 8214.66, 0.00297254/step, 1.85387 hours remaining, 207.449219 MB of memory in use. ENERGY: 2754800 692.9148 2100.3905 1933.4009 116.9071 -206414.3289 17777.5647 0.0000 0.0000 34338.1532 -149454.9975 299.8836 -183793.1507 -149360.4461 298.6742 18.4739 52.5137 556390.0686 11.3947 11.5384 PRESSURE: 2755000 270.883 -41.7084 102.304 -41.7091 63.1091 -42.2462 102.304 -42.2456 181.961 GPRESSURE: 2755000 321.312 -79.1325 40.8038 -9.17019 104.576 -54.3794 144.929 -17.417 191.001 PRESSAVG: 2755000 -35.7072 34.7574 56.8963 34.7574 12.545 44.3387 56.8964 44.3388 -1.28944 GPRESSAVG: 2755000 -35.9238 33.0244 58.1222 35.4682 12.9124 42.6222 55.4155 44.3568 -1.1925 TIMING: 2755000 CPU: 8215.25, 0.00297857/step Wall: 8215.25, 0.00297857/step, 1.85747 hours remaining, 207.449219 MB of memory in use. ENERGY: 2755000 765.1865 2090.4960 1959.2547 107.7419 -206809.9011 18169.8862 0.0000 0.0000 34228.9357 -149488.4003 298.9298 -183717.3359 -149393.3175 298.7937 171.9846 205.6297 556700.7679 -8.1505 -8.0680 PRESSURE: 2755200 -56.13 40.7871 8.57195 40.7883 65.9871 -125.937 8.57239 -125.937 -92.7541 GPRESSURE: 2755200 -14.6709 53.2716 17.1451 106.159 114.715 -176.414 73.0132 -89.9195 -97.0561 PRESSAVG: 2755200 27.7229 12.7933 25.8599 12.7933 -21.3672 -20.801 25.8599 -20.801 4.91423 GPRESSAVG: 2755200 27.6532 14.1962 25.5771 11.4819 -20.3783 -19.6766 26.6447 -21.2874 3.7031 TIMING: 2755200 CPU: 8215.84, 0.00294967/step Wall: 8215.84, 0.00294967/step, 1.83928 hours remaining, 207.449219 MB of memory in use. ENERGY: 2755200 720.6869 2058.5416 1945.4055 111.0711 -206390.9757 17873.5350 0.0000 0.0000 34141.2961 -149540.4395 298.1644 -183681.7356 -149441.4448 297.9649 -27.6323 0.9960 556815.1052 3.7567 3.6593 PRESSURE: 2755400 -317.036 167.876 -153.616 167.877 -214.354 -82.821 -153.617 -82.8209 -359.961 GPRESSURE: 2755400 -257.487 226.39 -228.861 42.1532 -193.454 -58.8124 -114.408 -69.1365 -340.491 PRESSAVG: 2755400 59.3125 32.4864 -9.92564 32.4864 -18.2144 -60.7538 -9.92567 -60.7539 -30.4416 GPRESSAVG: 2755400 57.9327 31.0578 -9.72662 33.3666 -19.1884 -61.8353 -11.0243 -61.8989 -28.755 TIMING: 2755400 CPU: 8216.43, 0.00296251/step Wall: 8216.43, 0.00296251/step, 1.84713 hours remaining, 207.449219 MB of memory in use. ENERGY: 2755400 755.4796 2113.0016 1945.2516 108.0814 -206274.8183 17535.4826 0.0000 0.0000 34310.5638 -149506.9576 299.6427 -183817.5215 -149407.8161 298.6147 -297.1171 -263.8109 558801.6116 3.5522 3.3298 PRESSURE: 2755600 31.1201 10.9162 61.0323 10.9162 -77.5157 28.1651 61.032 28.1656 77.7764 GPRESSURE: 2755600 -12.4238 -124.15 38.7605 11.1413 -37.4549 15.1565 147.297 36.8082 175.795 PRESSAVG: 2755600 26.9351 32.8557 2.953 32.8556 -84.7791 22.1891 2.95296 22.1892 73.8097 GPRESSAVG: 2755600 27.8193 34.8542 3.80116 30.9978 -84.5551 25.4278 4.58935 19.9171 73.0468 TIMING: 2755600 CPU: 8217.02, 0.00295616/step Wall: 8217.02, 0.00295616/step, 1.843 hours remaining, 207.449219 MB of memory in use. ENERGY: 2755600 731.9566 2110.5438 1940.7274 108.7371 -205927.3453 17518.7587 0.0000 0.0000 34223.8263 -149292.7954 298.8852 -183516.6217 -149195.7321 298.4364 10.4603 41.9722 556464.2754 5.3219 5.4370 PRESSURE: 2755800 -30.2385 -118.58 108.111 -118.579 146.784 -177.138 108.111 -177.139 155.891 GPRESSURE: 2755800 -18.9246 -158.283 10.191 -165.412 113.261 -129.429 142.702 -253.039 285.835 PRESSAVG: 2755800 8.13573 5.04783 12.3908 5.04779 -16.9609 -25.8603 12.3908 -25.8603 -3.41412 GPRESSAVG: 2755800 8.07736 1.8357 12.815 7.64457 -16.7392 -29.3453 10.0633 -22.411 -3.07256 TIMING: 2755800 CPU: 8217.62, 0.00297466/step Wall: 8217.62, 0.00297466/step, 1.85437 hours remaining, 207.449219 MB of memory in use. ENERGY: 2755800 782.1440 2144.2245 1927.8455 120.3519 -206591.4930 18146.1879 0.0000 0.0000 34049.7764 -149420.9628 297.3652 -183470.7392 -149326.0932 298.5367 90.8123 126.7241 556768.1455 -4.0798 -3.9115 PRESSURE: 2756000 -76.3539 -124.611 -31.379 -124.61 -181.112 21.7897 -31.3772 21.7889 -227.632 GPRESSURE: 2756000 -44.2846 -126.897 -93.786 -90.3181 -138.07 5.64766 -63.7954 49.9598 -210.901 PRESSAVG: 2756000 -26.7503 22.2637 -18.2079 22.2638 -0.482124 -45.9825 -18.208 -45.9826 -5.53366 GPRESSAVG: 2756000 -26.3194 24.4198 -19.7304 19.3946 -1.1723 -47.2205 -18.4432 -46.756 -5.4141 TIMING: 2756000 CPU: 8218.21, 0.00297374/step Wall: 8218.21, 0.00297374/step, 1.85363 hours remaining, 207.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2756000 731.9507 2078.2802 1914.2187 109.2925 -206052.3442 17684.9247 0.0000 0.0000 34144.1219 -149389.5554 298.1891 -183533.6773 -149297.7728 297.8843 -161.6992 -131.0851 558450.8636 -10.9220 -10.9686 PRESSURE: 2756200 -27.995 6.26893 -138.727 6.26908 -90.7331 -83.022 -138.727 -83.0211 -190.414 GPRESSURE: 2756200 -42.2681 -0.173839 -95.6905 109.432 -18.6061 14.9901 -66.6124 -117.942 -140.361 PRESSAVG: 2756200 85.3489 -31.6339 -27.1614 -31.6338 10.4418 48.9008 -27.1614 48.9008 -78.0825 GPRESSAVG: 2756200 84.7611 -29.8646 -26.263 -29.8248 11.8125 52.1897 -25.4445 49.8778 -78.6172 TIMING: 2756200 CPU: 8218.81, 0.00298344/step Wall: 8218.81, 0.00298344/step, 1.85951 hours remaining, 207.449219 MB of memory in use. ENERGY: 2756200 740.0534 2056.7237 1939.6424 113.7965 -206285.7201 17802.1845 0.0000 0.0000 34166.9698 -149466.3498 298.3886 -183633.3196 -149369.5875 298.4438 -103.0472 -67.0785 557901.5625 5.9027 5.9855 LDB: ============= START OF LOAD BALANCING ============== 8222.36 LDB: ============== END OF LOAD BALANCING =============== 8222.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8222.36 LDB: ============= START OF LOAD BALANCING ============== 8222.66 LDB: Largest compute 4773 load 0.027626 is 23.4% of average load 0.118253 LDB: Average compute 0.001736 is 1.5% of average load 0.118253 LDB: TIME 8222.66 LOAD: AVG 0.118253 MAX 0.206027 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.668 MB LDB: TIME 8222.66 LOAD: AVG 0.118253 MAX 0.206027 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.668 MB LDB: TIME 8222.66 LOAD: AVG 0.118253 MAX 0.206027 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.668 MB LDB: ============== END OF LOAD BALANCING =============== 8222.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8222.67 PRESSURE: 2756400 -100.971 -41.2191 -183.185 -41.2196 -201.371 -11.4146 -183.185 -11.4142 33.2637 GPRESSURE: 2756400 -81.1276 74.7438 -239.183 -77.7618 -151.094 -14.1504 -108.054 -23.0315 71.8984 PRESSAVG: 2756400 3.70007 27.7077 13.2594 27.7076 -71.0877 -16.4369 13.2594 -16.437 54.0962 GPRESSAVG: 2756400 3.61031 28.9057 12.3913 28.8913 -71.5786 -17.9978 13.7914 -17.8073 54.2819 TIMING: 2756400 CPU: 8219.42, 0.00303737/step Wall: 8219.42, 0.00303737/step, 1.89295 hours remaining, 206.925781 MB of memory in use. ENERGY: 2756400 755.1292 2024.7029 1926.0795 112.0090 -206211.4193 17830.2850 0.0000 0.0000 34115.4003 -149447.8134 297.9383 -183563.2137 -149353.2887 298.1674 -89.6927 -53.4412 559341.0359 -4.4305 -4.5621 PRESSURE: 2756600 -306.278 -37.4356 2.49288 -37.4355 -182.668 -161.699 2.49302 -161.699 -226.599 GPRESSURE: 2756600 -244.11 -60.1253 47.9909 -62.8891 -171.995 -203.411 8.9282 -138.018 -208.149 PRESSAVG: 2756600 69.5541 -31.4852 5.05423 -31.4852 -37.5941 -46.3979 5.05429 -46.3978 -62.2557 GPRESSAVG: 2756600 70.1009 -34.8961 5.04185 -32.135 -37.231 -47.6387 3.75434 -45.5636 -63.3092 TIMING: 2756600 CPU: 8220.02, 0.00300362/step Wall: 8220.02, 0.00300363/step, 1.87176 hours remaining, 206.925781 MB of memory in use. ENERGY: 2756600 736.0752 2073.3425 1891.1522 106.6420 -206128.6162 17513.7642 0.0000 0.0000 34319.2650 -149488.3751 299.7187 -183807.6401 -149393.9440 298.0011 -238.5151 -208.0846 558861.3410 -10.0986 -10.1464 PRESSURE: 2756800 -101.132 -7.99027 -30.2087 -7.98986 2.45348 84.1222 -30.2087 84.1203 68.408 GPRESSURE: 2756800 -95.8773 -5.66652 -14.4795 67.6332 90.442 145.964 40.3026 26.9845 72.3722 PRESSAVG: 2756800 -50.2741 -54.662 -7.13522 -54.6619 68.8297 18.0364 -7.1352 18.0365 24.0641 GPRESSAVG: 2756800 -49.6885 -55.4647 -5.99848 -52.5871 67.707 19.1356 -5.63644 18.8103 23.9929 TIMING: 2756800 CPU: 8220.61, 0.00297534/step Wall: 8220.61, 0.00297534/step, 1.85397 hours remaining, 207.042969 MB of memory in use. ENERGY: 2756800 732.2899 2080.9141 1935.7531 120.9825 -205966.2488 17631.7763 0.0000 0.0000 34221.2361 -149243.2967 298.8626 -183464.5328 -149146.1584 299.0991 -10.0902 22.3123 557171.0591 14.2066 14.0038 PRESSURE: 2757000 43.7751 181.477 -65.048 181.477 -157.4 108.399 -65.0487 108.4 -90.7664 GPRESSURE: 2757000 142.261 159.102 -126.265 234.066 -159.118 83.6968 -21.8207 168.654 -89.773 PRESSAVG: 2757000 -66.3788 11.2569 -16.2679 11.2569 -52.328 -25.0283 -16.2679 -25.0282 102.976 GPRESSAVG: 2757000 -67.8029 11.8687 -17.2217 10.3418 -50.7139 -25.3066 -17.9042 -25.5367 102.66 TIMING: 2757000 CPU: 8221.2, 0.00295226/step Wall: 8221.2, 0.00295227/step, 1.83943 hours remaining, 207.042969 MB of memory in use. ENERGY: 2757000 720.7876 2132.2576 1926.3479 119.1523 -206278.3230 17715.7723 0.0000 0.0000 34315.4235 -149348.5819 299.6851 -183664.0054 -149246.4992 299.3961 -68.1305 -35.5433 557411.1167 -5.2436 -5.2854 PRESSURE: 2757200 68.8352 -4.52784 -115.879 -4.52685 90.3032 21.206 -115.879 21.2049 -71.0423 GPRESSURE: 2757200 99.537 -28.7533 -124.788 31.1562 114.154 95.5175 -55.7597 37.452 -36.3873 PRESSAVG: 2757200 -60.3822 52.9685 26.3762 52.9685 -6.28966 13.6073 26.3762 13.6073 62.918 GPRESSAVG: 2757200 -59.046 53.1174 27.4794 51.8751 -6.94483 15.3024 25.7176 11.8632 63.0713 TIMING: 2757200 CPU: 8221.79, 0.00294552/step Wall: 8221.79, 0.00294552/step, 1.83506 hours remaining, 207.042969 MB of memory in use. ENERGY: 2757200 779.6975 2107.1447 1941.4896 106.5601 -206362.7429 18013.0755 0.0000 0.0000 34074.5237 -149340.2518 297.5813 -183414.7755 -149251.4040 298.7545 29.3654 59.1012 558475.1106 -1.2513 -0.9732 PRESSURE: 2757400 -303.234 -94.356 9.4232 -94.3551 -84.8653 -16.0229 9.42256 -16.0227 -98.2873 GPRESSURE: 2757400 -245.856 -152.481 129.374 -80.5531 -90.7704 44.3403 -100.631 -53.4431 -39.6375 PRESSAVG: 2757400 10.6896 16.3683 27.7933 16.3683 -104.599 21.9167 27.7933 21.9167 61.4082 GPRESSAVG: 2757400 10.5777 16.8487 28.3347 18.0613 -105.874 20.4561 28.4179 23.2993 62.6771 TIMING: 2757400 CPU: 8222.39, 0.00295716/step Wall: 8222.39, 0.00295716/step, 1.84215 hours remaining, 207.042969 MB of memory in use. ENERGY: 2757400 792.1712 2086.4753 1910.0941 108.6659 -206152.0199 17596.6473 0.0000 0.0000 34319.2916 -149338.6744 299.7189 -183657.9660 -149242.3518 298.9779 -162.1289 -125.4213 558067.1042 -10.8336 -10.8730 PRESSURE: 2757600 -6.45348 -211.112 55.3323 -211.112 -215.41 27.4736 55.3323 27.4745 -183.511 GPRESSURE: 2757600 -53.8728 -187.117 75.6457 -150.922 -107.221 63.982 -45.614 141.427 -154.6 PRESSAVG: 2757600 -2.28152 -5.70632 -22.2821 -5.70636 -5.22176 1.36968 -22.282 1.36968 12.1755 GPRESSAVG: 2757600 -2.36473 -7.03703 -21.8905 -4.85 -4.55536 1.61625 -21.7948 2.62971 11.2002 TIMING: 2757600 CPU: 8222.98, 0.00297756/step Wall: 8222.98, 0.00297756/step, 1.85469 hours remaining, 207.042969 MB of memory in use. ENERGY: 2757600 734.8684 2086.6474 1941.5243 105.5104 -206690.4944 18003.8467 0.0000 0.0000 34586.1853 -149231.9118 302.0498 -183818.0972 -149132.3462 299.5630 -135.1249 -105.2313 558716.6227 1.5574 1.4267 PRESSURE: 2757800 65.2286 144.235 171.029 144.236 5.29198 -101.36 171.029 -101.359 28.4323 GPRESSURE: 2757800 43.1693 63.5994 145.218 103.3 63.0089 -205.792 167.986 -99.1924 93.6745 PRESSAVG: 2757800 59.8589 -29.1158 73.1745 -29.1157 -4.47101 -13.7906 73.1744 -13.7906 -42.2581 GPRESSAVG: 2757800 58.2323 -29.6587 72.8581 -31.7476 -3.82989 -15.2207 71.9056 -14.7654 -41.5086 TIMING: 2757800 CPU: 8223.58, 0.00298621/step Wall: 8223.58, 0.00298621/step, 1.85991 hours remaining, 207.042969 MB of memory in use. ENERGY: 2757800 738.1681 2083.4662 1953.4391 105.3011 -206292.8499 17713.6767 0.0000 0.0000 34356.5438 -149342.2549 300.0442 -183698.7988 -149243.5346 298.9991 32.9843 66.6176 555703.7856 4.3766 4.2980 PRESSURE: 2758000 -84.7067 5.09562 64.1908 5.09578 -117.974 -42.037 64.1914 -42.0375 -20.9757 GPRESSURE: 2758000 -62.019 12.2834 -24.4046 -21.1456 -66.3119 -1.84076 90.8278 -72.5407 -6.59174 PRESSAVG: 2758000 -5.21804 -15.5104 36.5525 -15.5104 43.4489 17.7535 36.5526 17.7534 -12.2028 GPRESSAVG: 2758000 -2.80517 -14.4286 34.5843 -16.8098 41.1177 17.4812 36.0628 17.1095 -12.7177 TIMING: 2758000 CPU: 8224.18, 0.00299339/step Wall: 8224.18, 0.00299339/step, 1.86422 hours remaining, 207.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2758000 751.0714 2128.1254 1931.0255 115.1666 -206016.7687 17637.9799 0.0000 0.0000 34139.7858 -149313.6141 298.1512 -183453.3999 -149217.5637 298.9269 -74.5523 -44.9742 555744.5965 8.6760 8.5316 PRESSURE: 2758200 -92.4246 20.8933 -40.2829 20.8937 194.912 -28.2536 -40.2826 -28.2529 345.052 GPRESSURE: 2758200 -31.0676 39.1513 -32.9493 3.99681 194.756 9.92625 -113.543 -79.61 388.902 PRESSAVG: 2758200 -56.023 0.598492 27.86 0.598398 -12.1218 -34.6609 27.86 -34.6609 52.0784 GPRESSAVG: 2758200 -57.8612 1.86462 28.6833 1.61622 -10.2679 -32.8874 28.4407 -33.9495 52.0773 TIMING: 2758200 CPU: 8224.77, 0.00295075/step Wall: 8224.77, 0.00295075/step, 1.8375 hours remaining, 207.042969 MB of memory in use. ENERGY: 2758200 745.8562 2058.8350 1944.1161 113.7139 -206910.6695 18276.5525 0.0000 0.0000 34323.1774 -149448.4185 299.7528 -183771.5959 -149348.6811 298.2908 149.1798 184.1968 557202.4037 -5.3555 -5.3506 PRESSURE: 2758400 -103.483 -149.954 28.5334 -149.953 -37.0771 -159.576 28.5336 -159.575 -131.729 GPRESSURE: 2758400 -103.091 -45.4356 56.5779 -214.101 11.366 -179.335 -0.146558 -160.859 -80.6963 PRESSAVG: 2758400 8.50658 22.5463 20.0112 22.5463 -32.7455 23.2175 20.0112 23.2175 7.53339 GPRESSAVG: 2758400 9.43445 19.7311 19.0928 23.3708 -34.1554 23.3786 20.6404 22.3738 8.31117 TIMING: 2758400 CPU: 8225.36, 0.00294844/step Wall: 8225.36, 0.00294844/step, 1.83589 hours remaining, 207.042969 MB of memory in use. ENERGY: 2758400 758.7854 2109.8926 1943.8575 121.0102 -206332.3902 17720.3061 0.0000 0.0000 34265.8272 -149412.7112 299.2520 -183678.5384 -149315.3560 298.5949 -90.7630 -57.4737 557218.7140 -5.5685 -5.4699 PRESSURE: 2758600 -28.7909 -60.1575 10.5828 -60.158 -165.142 162 10.582 162.003 -362.63 GPRESSURE: 2758600 -24.7005 -30.4753 51.9536 -96.6519 -151.948 93.3812 -72.6665 124.21 -291.416 PRESSAVG: 2758600 29.9235 -10.5925 36.2473 -10.5924 -9.90126 -44.9262 36.2474 -44.9262 -25.8282 GPRESSAVG: 2758600 30.0676 -11.0457 38.8812 -11.003 -9.27257 -46.945 34.9045 -43.753 -26.5491 TIMING: 2758600 CPU: 8225.95, 0.00297027/step Wall: 8225.95, 0.00297027/step, 1.84932 hours remaining, 207.042969 MB of memory in use. ENERGY: 2758600 729.9509 2095.5232 1920.3792 118.9127 -206145.0123 17593.8420 0.0000 0.0000 34254.3659 -149432.0383 299.1519 -183686.4042 -149334.1811 298.6519 -185.5212 -156.0215 557405.2503 -1.9353 -1.9180 PRESSURE: 2758800 16.7171 130.067 129.875 130.067 -191.307 -24.0708 129.875 -24.0698 -78.8997 GPRESSURE: 2758800 22.2077 39.1152 121.438 122.2 -163.726 31.8387 139.296 -93.2992 -24.9536 PRESSAVG: 2758800 42.9673 -35.3597 52.751 -35.3598 20.7391 -8.99438 52.7509 -8.9943 -42.5088 GPRESSAVG: 2758800 42.5337 -33.8313 49.5217 -33.4736 19.8711 -7.10292 53.4594 -10.2142 -41.1908 TIMING: 2758800 CPU: 8226.55, 0.00297336/step Wall: 8226.55, 0.00297336/step, 1.85108 hours remaining, 207.042969 MB of memory in use. ENERGY: 2758800 757.1118 2075.2064 1945.6488 103.9578 -206207.4876 17701.9009 0.0000 0.0000 34365.7850 -149257.8769 300.1249 -183623.6619 -149167.5130 298.9384 -84.4966 -55.4905 556079.6416 7.0659 7.0713 PRESSURE: 2759000 155.02 117.343 -77.1677 117.343 10.8272 -33.7266 -77.1681 -33.7278 122.429 GPRESSURE: 2759000 203.052 218.772 -21.1978 70.3258 17.7027 7.74421 -116.267 -49.1285 171.58 PRESSAVG: 2759000 -22.1612 42.8738 39.2526 42.8738 79.1079 19.0989 39.2526 19.0989 -25.9634 GPRESSAVG: 2759000 -23.399 44.2335 40.2447 40.0771 79.2706 17.1686 39.4731 20.3991 -24.9623 TIMING: 2759000 CPU: 8227.14, 0.00296191/step Wall: 8227.14, 0.00296191/step, 1.84379 hours remaining, 207.042969 MB of memory in use. ENERGY: 2759000 756.2115 2091.8081 1934.5443 106.8957 -206410.5527 17846.9084 0.0000 0.0000 34269.8156 -149404.3690 299.2868 -183674.1846 -149313.9115 298.5600 96.0921 130.7781 556624.2802 10.3278 10.3031 PRESSURE: 2759200 -21.7165 64.9858 -157.724 64.986 -260.25 0.158875 -157.723 0.157025 31.8624 GPRESSURE: 2759200 -13.7027 65.6036 -166.296 29.3378 -236.866 10.7561 -176.72 -35.5485 96.3408 PRESSAVG: 2759200 36.9532 -17.4012 -39.091 -17.4012 45.3078 -3.8575 -39.091 -3.85747 -71.6043 GPRESSAVG: 2759200 38.1879 -19.1391 -36.1186 -17.6288 45.6677 -2.50621 -42.0285 -5.54208 -72.4599 TIMING: 2759200 CPU: 8227.74, 0.00299023/step Wall: 8227.74, 0.00299022/step, 1.86125 hours remaining, 207.042969 MB of memory in use. ENERGY: 2759200 792.3501 2075.6509 1933.1325 102.0173 -206482.6951 17903.5100 0.0000 0.0000 34249.7540 -149426.2803 299.1116 -183676.0343 -149336.6111 298.0975 -83.3682 -51.4093 557954.3690 3.5522 3.7986 PRESSURE: 2759400 -340.132 -114.345 -110.966 -114.345 -231.623 -103.77 -110.965 -103.771 100.903 GPRESSURE: 2759400 -306.504 -126.868 -147.439 -70.5227 -179.011 -59.2947 -92.8521 -88.903 108.209 PRESSAVG: 2759400 -60.6545 -3.54852 -8.17425 -3.54852 -8.91218 19.7469 -8.17423 19.7469 13.6674 GPRESSAVG: 2759400 -60.208 -3.25166 -9.08677 -3.1078 -8.39543 21.4068 -5.82635 19.4313 12.3141 TIMING: 2759400 CPU: 8228.33, 0.00295785/step Wall: 8228.33, 0.00295785/step, 1.84094 hours remaining, 207.042969 MB of memory in use. ENERGY: 2759400 740.9225 2033.1472 1914.5097 105.9211 -206142.2633 17706.9576 0.0000 0.0000 34222.1303 -149418.6748 298.8704 -183640.8051 -149313.3728 298.4873 -156.9506 -125.7686 558955.5636 -18.6331 -18.7631 PRESSURE: 2759600 -90.1068 -117.075 -44.3562 -117.076 66.1116 191.809 -44.3549 191.809 -20.5668 GPRESSURE: 2759600 -32.3089 -151.764 -101.175 -144.142 122.872 193.543 47.8449 183.341 -43.3764 PRESSAVG: 2759600 -10.8974 -47.2331 -19.69 -47.233 -4.42459 -1.83516 -19.6901 -1.83518 2.24017 GPRESSAVG: 2759600 -11.8821 -47.7107 -19.3943 -47.0251 -3.05132 -3.49253 -19.8172 -2.4358 2.41136 TIMING: 2759600 CPU: 8228.92, 0.00295787/step Wall: 8228.92, 0.00295787/step, 1.84078 hours remaining, 207.042969 MB of memory in use. ENERGY: 2759600 697.3607 2100.2203 1940.0222 115.7519 -206277.0113 17954.5986 0.0000 0.0000 34138.8339 -149330.2237 298.1429 -183469.0576 -149233.8773 298.4724 -14.8540 15.7289 558251.3126 -4.3606 -4.1740 PRESSURE: 2759800 -181.062 153.443 -117.947 153.442 -110.609 -179.458 -117.946 -179.455 -110.228 GPRESSURE: 2759800 -168.662 128.329 -52.0781 136.541 -69.2677 -85.9163 -150.703 -265.827 -74.8318 PRESSAVG: 2759800 60.3203 -23.5484 -29.8399 -23.5484 -23.1156 5.03125 -29.84 5.03119 13.8002 GPRESSAVG: 2759800 61.3487 -23.7083 -29.6637 -22.4451 -24.0773 6.93255 -29.7068 6.03156 13.9696 TIMING: 2759800 CPU: 8229.51, 0.00296231/step Wall: 8229.51, 0.00296231/step, 1.84338 hours remaining, 207.042969 MB of memory in use. ENERGY: 2759800 767.8425 2037.2943 1949.8553 107.8881 -205888.3121 17657.6236 0.0000 0.0000 34079.5990 -149288.2095 297.6256 -183367.8084 -149194.2928 299.4172 -133.9665 -104.2539 559155.6793 17.0016 17.0804 PRESSURE: 2760000 36.6427 60.3242 -5.25956 60.3241 55.4895 -5.76415 -5.26092 -5.76377 -95.9139 GPRESSURE: 2760000 95.8138 93.5357 -34.291 50.4537 79.1436 34.7171 -4.65194 76.7397 -75.0009 PRESSAVG: 2760000 0.860202 -32.9347 -47.7661 -32.9348 38.4422 -53.3416 -47.7661 -53.3416 -64.5788 GPRESSAVG: 2760000 0.637175 -32.1893 -47.3596 -31.6729 38.08 -55.4442 -47.6762 -53.5472 -63.874 TIMING: 2760000 CPU: 8230.1, 0.0029556/step Wall: 8230.1, 0.0029556/step, 1.83904 hours remaining, 207.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2760000 752.2104 2096.2352 1926.2634 136.5902 -206236.2767 17869.9542 0.0000 0.0000 34123.6981 -149331.3252 298.0107 -183455.0234 -149238.9247 299.4295 -1.2606 33.3188 558698.5887 -8.4255 -8.3856 PRESSURE: 2760200 -150.663 -13.3912 81.4207 -13.3909 131.676 201.818 81.4197 201.818 -204.192 GPRESSURE: 2760200 -161.27 -44.018 30.908 15.0054 167.445 161.275 148.577 202.972 -131.55 PRESSAVG: 2760200 -44.5629 -38.0977 -7.89603 -38.0977 32.812 15.8703 -7.89594 15.8705 -22.6738 GPRESSAVG: 2760200 -45.4844 -40.0612 -8.59525 -38.3457 32.8721 15.8564 -8.43474 15.9182 -22.1004 TIMING: 2760200 CPU: 8230.69, 0.00295694/step Wall: 8230.69, 0.00295694/step, 1.83971 hours remaining, 207.042969 MB of memory in use. ENERGY: 2760200 737.9597 2059.1632 1920.4026 118.0059 -206559.1514 17881.5167 0.0000 0.0000 34488.6833 -149353.4200 301.1982 -183842.1033 -149255.0528 299.0274 -74.3930 -41.7918 558329.0341 -11.4749 -11.5709 LDB: ============= START OF LOAD BALANCING ============== 8234.24 LDB: ============== END OF LOAD BALANCING =============== 8234.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8234.24 LDB: ============= START OF LOAD BALANCING ============== 8234.54 LDB: Largest compute 4773 load 0.027457 is 23.2% of average load 0.118313 LDB: Average compute 0.001741 is 1.5% of average load 0.118313 LDB: TIME 8234.54 LOAD: AVG 0.118313 MAX 0.205745 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.215 MB LDB: TIME 8234.54 LOAD: AVG 0.118313 MAX 0.205745 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.219 MB LDB: TIME 8234.54 LOAD: AVG 0.118313 MAX 0.205745 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.219 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8234.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8234.55 PRESSURE: 2760400 -13.8202 15.748 -80.108 15.7463 -135.2 128.355 -80.1078 128.354 -77.7108 GPRESSURE: 2760400 -4.60161 30.0643 7.06535 19.7234 -84.9155 109.475 -125.338 72.3833 -45.8082 PRESSAVG: 2760400 2.22693 17.2962 -2.55212 17.2961 50.3967 47.4134 -2.55212 47.4134 -63.7242 GPRESSAVG: 2760400 3.58123 17.5171 -3.31643 18.1246 50.4178 45.3217 -2.33781 48.1487 -65.0046 TIMING: 2760400 CPU: 8231.3, 0.00300973/step Wall: 8231.3, 0.00300973/step, 1.87239 hours remaining, 208.007812 MB of memory in use. ENERGY: 2760400 720.0786 2068.2902 1973.5883 116.1329 -206130.2653 17715.9327 0.0000 0.0000 34150.8150 -149385.4276 298.2476 -183536.2426 -149293.1905 299.3208 -75.5770 -45.1084 557820.6073 -3.7002 -3.6685 PRESSURE: 2760600 126.566 51.4689 -26.03 51.468 -192.832 0.440371 -26.0305 0.440419 -305.855 GPRESSURE: 2760600 99.0329 88.8044 -35.1167 37.8132 -124.888 80.4334 27.4738 42.0687 -243.125 PRESSAVG: 2760600 -54.8961 -26.1732 -23.4906 -26.1733 93.7115 3.58077 -23.4906 3.58081 12.0281 GPRESSAVG: 2760600 -56.2837 -24.8723 -22.3656 -26.7237 93.6233 4.37876 -22.7058 4.05651 12.7175 TIMING: 2760600 CPU: 8231.89, 0.00299047/step Wall: 8231.89, 0.00299047/step, 1.86024 hours remaining, 208.007812 MB of memory in use. ENERGY: 2760600 736.2381 2075.7942 1933.0366 113.7703 -205788.3823 17477.2940 0.0000 0.0000 34210.0382 -149242.2109 298.7648 -183452.2491 -149146.9660 299.1926 -124.0401 -89.6598 557429.9841 16.9478 16.6857 PRESSURE: 2760800 -182.149 -49.4461 16.8348 -49.4466 254.014 -72.2571 16.8355 -72.2571 -153.56 GPRESSURE: 2760800 -151.562 -52.5668 100.86 6.11329 290.496 -57.7114 -16.0946 -126.098 -138.262 PRESSAVG: 2760800 27.8702 -21.7976 -18.0893 -21.7977 64.345 -19.462 -18.0894 -19.462 -90.9245 GPRESSAVG: 2760800 27.4484 -21.2798 -20.2128 -23.7394 64.6469 -17.7102 -18.5618 -21.3349 -91.4049 TIMING: 2760800 CPU: 8232.49, 0.00296004/step Wall: 8232.49, 0.00296004/step, 1.84114 hours remaining, 208.007812 MB of memory in use. ENERGY: 2760800 752.7745 2078.0407 1926.0019 115.8781 -206309.5843 17726.7935 0.0000 0.0000 34217.0802 -149493.0154 298.8263 -183710.0956 -149391.9059 298.4180 -27.2314 0.2241 557112.8855 0.4302 0.2302 PRESSURE: 2761000 -88.5066 -14.911 71.1265 -14.9096 169.892 -34.0682 71.1251 -34.0679 94.8581 GPRESSURE: 2761000 -56.345 -9.90734 87.6754 -29.0927 184.958 -92.6864 102.067 35.348 148.542 PRESSAVG: 2761000 39.9334 -17.7074 45.265 -17.7074 49.0937 27.0995 45.2649 27.0995 -78.893 GPRESSAVG: 2761000 39.862 -17.1732 45.9079 -16.7813 48.4947 24.7625 44.5642 29.0263 -78.0121 TIMING: 2761000 CPU: 8233.08, 0.00298176/step Wall: 8233.08, 0.00298176/step, 1.85449 hours remaining, 208.007812 MB of memory in use. ENERGY: 2761000 733.4010 2104.7488 1936.9898 114.5158 -206426.5004 18054.3609 0.0000 0.0000 33958.4530 -149524.0311 296.5676 -183482.4841 -149429.4129 297.9807 58.7477 92.3849 556673.8569 3.3780 3.4482 PRESSURE: 2761200 21.8095 -17.6632 166.765 -17.6629 -175.918 -15.5706 166.767 -15.57 -12.8624 GPRESSURE: 2761200 31.6537 -26.6362 180.026 -40.1685 -106.793 -16.833 199.564 28.1102 8.66805 PRESSAVG: 2761200 -35.4862 -9.68007 33.0407 -9.68007 69.9902 22.4755 33.0407 22.4756 -54.95 GPRESSAVG: 2761200 -36.0934 -9.1892 34.7185 -10.4099 70.7876 23.1422 32.8595 24.1009 -54.7586 TIMING: 2761200 CPU: 8233.67, 0.0029474/step Wall: 8233.67, 0.0029474/step, 1.83295 hours remaining, 208.007812 MB of memory in use. ENERGY: 2761200 712.0527 2080.0191 1953.5861 116.4730 -206337.6146 17745.0832 0.0000 0.0000 34216.5976 -149513.8029 298.8221 -183730.4005 -149416.0290 298.9057 -55.6568 -22.1569 557096.0649 -6.8154 -6.6881 PRESSURE: 2761400 -141.734 7.87149 -71.001 7.87114 116.098 84.0856 -71.0017 84.0864 126.021 GPRESSURE: 2761400 -150.295 26.3732 -87.5924 -6.97376 161.671 72.3263 -5.43268 158.581 178.218 PRESSAVG: 2761400 -40.2459 -86.1995 -26.088 -86.1994 20.6318 27.6919 -26.088 27.692 25.5642 GPRESSAVG: 2761400 -39.4883 -86.9654 -26.9164 -83.9913 19.7276 28.4512 -26.5051 26.6218 25.8671 TIMING: 2761400 CPU: 8234.26, 0.00295468/step Wall: 8234.26, 0.00295468/step, 1.83732 hours remaining, 208.007812 MB of memory in use. ENERGY: 2761400 743.7713 2077.9622 1960.1873 107.8880 -206645.2583 17952.6488 0.0000 0.0000 34408.8922 -149393.9085 300.5014 -183802.8007 -149300.4969 298.7614 33.4616 63.1978 557474.9940 1.9834 2.0355 PRESSURE: 2761600 51.7617 -37.3572 41.5733 -37.3571 -120.102 64.7315 41.5732 64.729 189.488 GPRESSURE: 2761600 55.271 -60.3001 146.064 -28.6827 -86.4686 148.659 -22.3791 -0.498421 248.238 PRESSAVG: 2761600 -13.2465 -73.3256 -38.0064 -73.3257 27.9918 -21.5754 -38.0065 -21.5755 -22.8424 GPRESSAVG: 2761600 -13.3584 -73.7805 -36.8824 -75.4852 28.5848 -20.8845 -37.8538 -23.1314 -22.9513 TIMING: 2761600 CPU: 8234.86, 0.00297367/step Wall: 8234.86, 0.00297366/step, 1.84896 hours remaining, 208.007812 MB of memory in use. ENERGY: 2761600 738.1795 1980.5119 1920.8842 103.1173 -206396.5084 17923.8761 0.0000 0.0000 34330.5341 -149399.4052 299.8171 -183729.9393 -149298.2271 299.2127 40.3825 72.3469 558219.5264 -2.6990 -2.5749 PRESSURE: 2761800 -282.366 -69.1809 -117.69 -69.1798 -77.4302 -23.6604 -117.689 -23.6626 -69.8471 GPRESSURE: 2761800 -233.498 -12.3811 -139.051 -65.1438 -16.4353 41.3778 -152.45 2.39443 -84.4916 PRESSAVG: 2761800 13.3852 1.32148 -62.2361 1.32146 11.355 -45.2494 -62.2362 -45.2494 -35.3855 GPRESSAVG: 2761800 14.2215 3.91614 -62.1636 2.49988 10.3447 -45.0747 -61.4846 -45.2338 -35.5646 TIMING: 2761800 CPU: 8235.45, 0.00297187/step Wall: 8235.45, 0.00297187/step, 1.84768 hours remaining, 208.007812 MB of memory in use. ENERGY: 2761800 727.4705 2028.6267 1931.8206 110.9152 -205970.9233 17616.4192 0.0000 0.0000 34151.3543 -149404.3168 298.2523 -183555.6710 -149306.9255 299.0002 -143.2145 -111.4750 559996.1450 -3.5484 -3.6661 PRESSURE: 2762000 16.0339 145.703 -45.3674 145.702 -170.263 -235.703 -45.3694 -235.702 -128.031 GPRESSURE: 2762000 34.8978 157.116 -79.203 97.5252 -143.876 -190.717 -51.0431 -277.641 -75.7987 PRESSAVG: 2762000 5.34598 -22.4629 -6.2001 -22.4629 -28.3834 58.7404 -6.20009 58.7403 35.1879 GPRESSAVG: 2762000 4.38634 -23.4635 -8.40082 -23.8721 -27.1727 55.9754 -5.18386 59.8483 34.8543 TIMING: 2762000 CPU: 8236.05, 0.0029891/step Wall: 8236.05, 0.0029891/step, 1.85822 hours remaining, 208.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2762000 775.2441 2052.8772 1909.8363 109.2390 -206395.2212 17854.9296 0.0000 0.0000 34274.2187 -149418.8763 299.3253 -183693.0951 -149323.5127 298.8054 -94.0865 -61.5923 558203.9163 4.0502 4.0227 PRESSURE: 2762200 -77.9774 -23.2247 -58.3028 -23.2242 206.926 -68.9499 -58.3024 -68.9504 126 GPRESSURE: 2762200 -30.8745 -35.6192 -28.6236 33.0887 216.921 -19.3289 -83.1862 -55.6409 157.513 PRESSAVG: 2762200 60.6797 19.2733 16.3452 19.2733 -50.1995 35.0686 16.3454 35.0685 17.0412 GPRESSAVG: 2762200 60.9999 17.6524 14.8579 19.6205 -51.3149 37.2165 16.1258 35.0116 17.4011 TIMING: 2762200 CPU: 8236.64, 0.00296981/step Wall: 8236.64, 0.00296981/step, 1.84607 hours remaining, 208.007812 MB of memory in use. ENERGY: 2762200 774.3325 2088.1262 1947.4658 105.6761 -206407.7821 17905.7444 0.0000 0.0000 34187.3387 -149399.0983 298.5665 -183586.4370 -149307.9035 298.9321 84.9828 114.5198 556834.6111 9.1738 9.0287 PRESSURE: 2762400 -128.741 60.6269 71.6111 60.6265 -203.391 -93.4737 71.6121 -93.4741 67.1658 GPRESSURE: 2762400 -93.8445 34.753 44.5678 76.3442 -149.028 -48.054 117.119 -69.146 71.4881 PRESSAVG: 2762400 22.0657 -65.4717 10.5182 -65.4718 17.7303 -34.1507 10.5181 -34.1506 -10.9465 GPRESSAVG: 2762400 21.2005 -63.114 13.258 -66.2652 17.679 -33.6688 8.53219 -33.6899 -10.2599 TIMING: 2762400 CPU: 8237.23, 0.00294901/step Wall: 8237.23, 0.00294901/step, 1.83297 hours remaining, 208.007812 MB of memory in use. ENERGY: 2762400 720.6074 2081.6027 1955.3012 118.1976 -205937.6139 17410.3722 0.0000 0.0000 34252.6631 -149398.8697 299.1370 -183651.5327 -149299.4191 299.6857 -88.3219 -57.1281 555269.1206 9.6165 9.5399 PRESSURE: 2762600 -167.888 55.3512 -48.6396 55.3525 -209.383 4.86654 -48.6395 4.86679 47.0599 GPRESSURE: 2762600 -122.149 -38.2247 -76.8733 117.897 -185.02 20.5882 -95.895 27.4431 77.2869 PRESSAVG: 2762600 -18.0526 -48.6784 21.4312 -48.6783 -27.1397 27.0796 21.4312 27.0796 73.9971 GPRESSAVG: 2762600 -17.4913 -49.5077 21.8686 -45.6897 -26.2781 26.8462 21.6134 27.3071 72.6039 TIMING: 2762600 CPU: 8237.82, 0.00295848/step Wall: 8237.82, 0.00295848/step, 1.83869 hours remaining, 208.007812 MB of memory in use. ENERGY: 2762600 779.5473 2087.6971 1958.4063 111.3248 -206093.8587 17655.5179 0.0000 0.0000 34188.7397 -149312.6257 298.5788 -183501.3653 -149217.5125 299.3300 -110.0704 -76.6274 557091.1370 9.6016 9.6115 PRESSURE: 2762800 66.1959 -97.2459 135.805 -97.2459 -22.7259 -77.1922 135.805 -77.193 124.146 GPRESSURE: 2762800 103.11 -154.04 179.624 -110.651 25.5688 -32.2177 142.642 -65.4596 129.518 PRESSAVG: 2762800 10.1912 18.0026 -3.01441 18.0026 -55.2943 -47.2803 -3.0145 -47.2803 27.5302 GPRESSAVG: 2762800 10.8987 19.4951 -5.01692 15.0978 -55.9145 -49.0507 -2.35322 -47.7662 26.6802 TIMING: 2762800 CPU: 8238.42, 0.00296818/step Wall: 8238.42, 0.00296818/step, 1.84456 hours remaining, 208.007812 MB of memory in use. ENERGY: 2762800 750.8697 2077.4297 1933.4730 104.6316 -206274.1690 17905.6882 0.0000 0.0000 34215.9831 -149286.0938 298.8167 -183502.0769 -149191.6497 298.6812 55.8721 86.0657 556837.2109 -5.8576 -6.1119 PRESSURE: 2763000 278.173 -86.2885 84.2435 -86.2889 -253.864 -141.686 84.2449 -141.685 -50.8404 GPRESSURE: 2763000 288.526 -68.8516 96.8809 -62.6511 -195.21 -99.4289 142.364 -178.957 -20.2064 PRESSAVG: 2763000 49.8987 -11.6853 27.9996 -11.6853 8.5545 -28.13 27.9996 -28.1299 -64.0705 GPRESSAVG: 2763000 49.4674 -14.3815 27.5607 -9.60809 7.94325 -26.6406 28.2844 -28.9568 -63.3348 TIMING: 2763000 CPU: 8239.01, 0.00295009/step Wall: 8239.01, 0.00295009/step, 1.83315 hours remaining, 208.007812 MB of memory in use. ENERGY: 2763000 734.5647 2083.4614 1928.4009 110.7170 -206012.8420 17734.4223 0.0000 0.0000 34168.1119 -149253.1638 298.3986 -183421.2757 -149153.7205 299.4497 -8.8439 24.3699 555746.6616 -1.8724 -1.9747 PRESSURE: 2763200 -348.211 -20.4577 -136.415 -20.4588 -10.787 148.112 -136.413 148.111 -115.736 GPRESSURE: 2763200 -300.637 51.2263 -155.293 13.5778 24.2339 178.071 -94.793 142.212 -100.856 PRESSAVG: 2763200 -38.9504 -20.7695 -16.9581 -20.7695 2.39069 -5.81148 -16.9582 -5.81151 -8.26479 GPRESSAVG: 2763200 -38.4645 -19.7832 -16.7426 -18.6633 2.6337 -7.66318 -17.075 -5.10888 -8.85539 TIMING: 2763200 CPU: 8239.6, 0.00297945/step Wall: 8239.6, 0.00297945/step, 1.85123 hours remaining, 208.007812 MB of memory in use. ENERGY: 2763200 686.5659 2030.5444 1920.1987 124.7164 -205686.8334 17488.1792 0.0000 0.0000 33899.8336 -149536.7951 296.0557 -183436.6288 -149444.4852 298.0571 -158.2448 -125.7530 557730.8010 -14.9415 -14.8954 PRESSURE: 2763400 57.2151 248.913 44.2301 248.913 -107.002 47.0201 44.2282 47.0198 -95.8593 GPRESSURE: 2763400 59.5914 229.388 94.4012 234.731 -47.5717 102.342 47.5272 0.373841 -58.2139 PRESSAVG: 2763400 -61.2715 19.2535 8.86271 19.2535 91.4647 30.3936 8.86268 30.3937 -48.1476 GPRESSAVG: 2763400 -61.2664 17.6233 9.79974 18.3082 90.9506 33.1702 9.07814 28.7667 -48.0685 TIMING: 2763400 CPU: 8240.2, 0.00298916/step Wall: 8240.2, 0.00298916/step, 1.8571 hours remaining, 208.007812 MB of memory in use. ENERGY: 2763400 738.7623 1987.1356 1913.8829 119.7839 -206106.2097 17625.4006 0.0000 0.0000 34138.8578 -149582.3866 298.1431 -183721.2444 -149479.6290 298.2013 -48.5488 -15.3981 556983.8011 -5.9848 -6.1281 PRESSURE: 2763600 69.5077 -57.8911 -216.171 -57.8907 -117.822 24.9832 -216.17 24.9823 -3.98756 GPRESSURE: 2763600 103.918 46.5564 -247.345 -52.4142 -24.0044 47.8875 -179.984 -37.1958 -32.6302 PRESSAVG: 2763600 16.9923 40.8941 7.62849 40.8942 72.167 3.17296 7.62868 3.17283 -74.9578 GPRESSAVG: 2763600 15.9116 43.9302 6.87402 40.0859 72.5968 1.59355 8.32059 2.29322 -74.4315 TIMING: 2763600 CPU: 8240.8, 0.00299515/step Wall: 8240.8, 0.00299515/step, 1.86065 hours remaining, 208.007812 MB of memory in use. ENERGY: 2763600 751.6780 2081.4996 1949.5012 120.0364 -206361.5555 17738.1666 0.0000 0.0000 34090.2964 -149630.3773 297.7190 -183720.6737 -149539.7380 297.5327 -17.4339 15.7612 556493.5319 4.7338 4.6923 PRESSURE: 2763800 28.1969 -29.5504 63.5422 -29.5488 -25.805 -43.044 63.543 -43.0439 -305.324 GPRESSURE: 2763800 54.9654 -28.7593 83.9064 -17.1762 3.91458 -88.0393 146.495 -25.63 -280.009 PRESSAVG: 2763800 64.0346 2.12026 13.8564 2.12021 50.1338 -8.30548 13.8565 -8.30556 -60.7047 GPRESSAVG: 2763800 64.0924 0.70477 12.8187 2.53274 49.6503 -9.12351 14.2545 -5.17445 -60.5543 TIMING: 2763800 CPU: 8241.39, 0.00296109/step Wall: 8241.39, 0.00296109/step, 1.83933 hours remaining, 208.007812 MB of memory in use. ENERGY: 2763800 735.5766 2100.4535 1947.5758 108.1355 -206252.5364 17606.6382 0.0000 0.0000 34126.5432 -149627.6136 298.0356 -183754.1568 -149538.0036 297.4729 -100.9775 -73.7097 556535.6156 17.8212 17.7294 PRESSURE: 2764000 -30.5604 97.4155 111.154 97.4172 -84.9846 130.831 111.153 130.831 -253.172 GPRESSURE: 2764000 -31.4132 94.1203 90.7587 98.0953 -67.8438 49.5206 82.4718 133.146 -168.203 PRESSAVG: 2764000 54.987 -6.22095 75.2804 -6.22096 -12.9994 36.6215 75.2804 36.6216 -18.581 GPRESSAVG: 2764000 54.6792 -6.62193 77.0897 -6.88968 -11.9115 37.9662 74.5924 36.6742 -19.1321 TIMING: 2764000 CPU: 8241.99, 0.00296578/step Wall: 8241.99, 0.00296578/step, 1.84208 hours remaining, 208.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2764000 760.6819 2052.2382 1937.1758 114.1040 -206213.7550 17642.3241 0.0000 0.0000 34314.5467 -149392.6844 299.6775 -183707.2311 -149295.2917 298.3626 -122.9058 -89.1533 556503.6686 7.8022 7.8785 PRESSURE: 2764200 -95.3929 -60.6798 146.014 -60.6783 -161.041 214.985 146.013 214.983 93.5039 GPRESSURE: 2764200 -15.7352 -40.0053 170.506 -78.9524 -169.5 150.138 195.246 264.668 129.415 PRESSAVG: 2764200 56.9547 24.0198 55.7209 24.0198 -74.8708 1.12403 55.7209 1.12395 15.5069 GPRESSAVG: 2764200 56.9968 24.3436 56.4858 24.6396 -76.7334 1.24221 52.7207 0.0719154 17.5032 TIMING: 2764200 CPU: 8242.58, 0.00298821/step Wall: 8242.58, 0.00298821/step, 1.85584 hours remaining, 208.007812 MB of memory in use. ENERGY: 2764200 772.2421 2093.1691 1939.4198 109.2173 -206173.5300 17688.2379 0.0000 0.0000 34063.2703 -149507.9736 297.4830 -183571.2439 -149418.1842 299.0786 -54.3100 -18.6067 557568.1641 -0.8031 -0.7445 LDB: ============= START OF LOAD BALANCING ============== 8246.13 LDB: ============== END OF LOAD BALANCING =============== 8246.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8246.14 LDB: ============= START OF LOAD BALANCING ============== 8246.43 LDB: Largest compute 4773 load 0.027136 is 22.9% of average load 0.118251 LDB: Average compute 0.001745 is 1.5% of average load 0.118251 LDB: TIME 8246.44 LOAD: AVG 0.118251 MAX 0.204419 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.035 MB LDB: TIME 8246.44 LOAD: AVG 0.118251 MAX 0.204419 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.098 MB LDB: TIME 8246.44 LOAD: AVG 0.118251 MAX 0.204419 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.098 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8246.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8246.44 PRESSURE: 2764400 242.491 -37.2449 38.4744 -37.2453 -4.27822 34.4367 38.4753 34.4367 79.8334 GPRESSURE: 2764400 248.83 -47.1779 23.8616 -36.4742 1.13549 -5.90691 -39.5984 75.0971 155.643 PRESSAVG: 2764400 64.6719 28.174 -6.66622 28.174 -96.4545 20.4166 -6.66617 20.4166 21.6509 GPRESSAVG: 2764400 65.4807 28.4216 -9.77536 27.606 -95.1803 21.1553 -4.54331 20.1564 19.5955 TIMING: 2764400 CPU: 8243.19, 0.00304242/step Wall: 8243.19, 0.00304242/step, 1.88934 hours remaining, 205.945312 MB of memory in use. ENERGY: 2764400 728.2240 2094.7527 1932.9773 120.3502 -206368.8684 17967.4433 0.0000 0.0000 34221.1307 -149303.9903 298.8616 -183525.1210 -149210.9459 298.5653 106.0152 135.2027 557315.6431 -3.3772 -3.3680 PRESSURE: 2764600 -53.45 -64.2713 -47.4766 -64.2728 -226.944 92.4636 -47.4765 92.4629 45.5704 GPRESSURE: 2764600 -32.8562 -99.4286 -75.7506 -108.13 -151.92 7.5402 12.2184 200.288 40.2417 PRESSAVG: 2764600 40.1961 8.12525 -40.2337 8.12511 -24.8506 32.3856 -40.2337 32.3857 54.6185 GPRESSAVG: 2764600 39.9592 10.0258 -38.8025 7.71497 -24.8335 31.1784 -39.7642 32.4103 55.4345 TIMING: 2764600 CPU: 8243.78, 0.00294084/step Wall: 8243.78, 0.00294084/step, 1.8261 hours remaining, 205.945312 MB of memory in use. ENERGY: 2764600 754.1493 2100.8175 1963.3577 130.8631 -206330.8864 17727.1529 0.0000 0.0000 34407.8896 -149246.6565 300.4927 -183654.5461 -149151.9554 298.7431 -78.2744 -48.1781 557803.1761 23.3214 23.5201 PRESSURE: 2764800 -194.952 31.1451 -3.98798 31.1437 -191.782 39.0523 -3.98906 39.0527 -368.504 GPRESSURE: 2764800 -90.9405 65.335 -31.5539 -53.686 -227.499 22.1964 50.7439 31.3165 -337.122 PRESSAVG: 2764800 -6.87923 6.25765 12.2758 6.25766 -19.487 12.2663 12.2757 12.2664 -0.401241 GPRESSAVG: 2764800 -6.06267 4.28359 13.3812 7.59292 -20.3886 12.3062 11.6371 12.3669 -0.145473 TIMING: 2764800 CPU: 8244.37, 0.00293356/step Wall: 8244.37, 0.00293356/step, 1.82141 hours remaining, 205.945312 MB of memory in use. ENERGY: 2764800 793.8523 2068.2815 1947.5252 110.4174 -206286.0466 17576.0278 0.0000 0.0000 34420.4850 -149369.4575 300.6027 -183789.9425 -149271.1211 299.0949 -251.7462 -218.5206 558882.2931 -8.9225 -8.8656 PRESSURE: 2765000 -76.3303 -6.59394 9.62913 -6.59524 -109.561 87.5587 9.6294 87.5593 -261.833 GPRESSURE: 2765000 1.66771 -23.5467 74.2645 10.1964 -134.349 135.822 -30.2849 55.0426 -221.862 PRESSAVG: 2765000 -27.6156 8.77322 -44.7129 8.7732 -15.2382 47.5749 -44.7128 47.575 37.6796 GPRESSAVG: 2765000 -28.6287 9.85714 -45.0054 6.61217 -13.9108 47.4301 -45.503 47.5141 37.4503 TIMING: 2765000 CPU: 8244.95, 0.00292981/step Wall: 8244.95, 0.00292981/step, 1.81892 hours remaining, 205.945312 MB of memory in use. ENERGY: 2765000 757.8000 2068.3715 1975.9072 102.8979 -206378.2849 17729.8922 0.0000 0.0000 34196.6668 -149546.7493 298.6480 -183743.4161 -149452.2887 298.7081 -149.2414 -118.1811 558659.0243 -1.7247 -1.6964 PRESSURE: 2765200 345.677 -65.92 135.121 -65.921 250.615 -12.7356 135.121 -12.7369 103.899 GPRESSURE: 2765200 381.433 -30.3833 -17.6165 -97.834 319.016 -35.5551 229.586 55.2222 93.2375 PRESSAVG: 2765200 22.1191 -24.2654 -20.2285 -24.2655 32.0852 -3.85055 -20.2285 -3.85053 -1.25789 GPRESSAVG: 2765200 21.7625 -25.831 -19.8868 -22.8239 32.7875 -2.57427 -19.7367 -5.59825 -1.21502 TIMING: 2765200 CPU: 8245.55, 0.00296211/step Wall: 8245.55, 0.00296211/step, 1.83881 hours remaining, 205.945312 MB of memory in use. ENERGY: 2765200 716.2301 2109.0183 1919.8800 101.3015 -206604.1723 18208.9583 0.0000 0.0000 34086.0004 -149462.7836 297.6815 -183548.7840 -149366.7050 298.1245 233.3970 264.5621 558291.9026 17.6488 17.7783 PRESSURE: 2765400 -33.2546 -15.2621 1.56913 -15.2628 -405.907 47.8195 1.56909 47.8188 -35.4431 GPRESSURE: 2765400 -15.561 -60.9741 67.1165 83.8577 -357.589 16.4427 -77.8914 60.0831 2.01408 PRESSAVG: 2765400 -47.4864 -18.0323 -44.1732 -18.0323 35.0977 12.8065 -44.1732 12.8065 23.3965 GPRESSAVG: 2765400 -46.5273 -17.4124 -44.5181 -17.2944 32.6566 9.58865 -45.3973 15.997 23.853 TIMING: 2765400 CPU: 8246.14, 0.0029503/step Wall: 8246.14, 0.0029503/step, 1.83132 hours remaining, 205.945312 MB of memory in use. ENERGY: 2765400 745.6969 2152.0392 1923.5816 125.9387 -206215.5030 17695.9227 0.0000 0.0000 33893.7703 -149678.5534 296.0027 -183572.3238 -149587.0497 297.9967 -158.2017 -123.7120 558645.4553 3.6692 3.3274 PRESSURE: 2765600 -174.151 11.4212 -140.108 11.4199 -86.1259 -152.929 -140.107 -152.927 -60.4362 GPRESSURE: 2765600 -124.608 -64.4865 -108.891 84.1049 -39.1059 -106.436 -209.327 -225.41 -68.1269 PRESSAVG: 2765600 14.0368 -4.73905 25.6278 -4.73911 -44.8084 -68.8246 25.6278 -68.8245 56.5913 GPRESSAVG: 2765600 14.4118 -3.60011 22.7348 -6.6315 -45.3722 -68.0524 27.7294 -68.5398 57.0921 TIMING: 2765600 CPU: 8246.73, 0.00296878/step Wall: 8246.73, 0.00296878/step, 1.84262 hours remaining, 205.945312 MB of memory in use. ENERGY: 2765600 747.0498 2046.3722 1927.7306 113.1214 -206312.7303 17774.1243 0.0000 0.0000 34138.0721 -149566.2598 298.1363 -183704.3319 -149461.4467 297.9441 -106.9044 -77.2802 558637.1292 8.6066 8.7106 PRESSURE: 2765800 -26.6452 -10.7487 67.256 -10.748 -80.6732 -107.657 67.2564 -107.657 -66.6428 GPRESSURE: 2765800 -52.741 -12.9756 78.295 58.9131 2.90566 -53.9583 80.2599 -153.43 -28.186 PRESSAVG: 2765800 -9.72654 -0.723261 -70.0972 -0.723227 23.6957 -33.8009 -70.0972 -33.8009 -39.7401 GPRESSAVG: 2765800 -10.2236 -0.355485 -67.8857 -0.18748 25.0166 -32.3134 -70.2961 -38.3803 -40.6268 TIMING: 2765800 CPU: 8247.32, 0.00297338/step Wall: 8247.32, 0.00297338/step, 1.84531 hours remaining, 205.945312 MB of memory in use. ENERGY: 2765800 756.6432 2098.9682 1931.7494 118.7524 -206126.3777 17675.4657 0.0000 0.0000 34162.7408 -149382.0581 298.3517 -183544.7988 -149281.6045 298.2518 -57.9870 -26.0071 557581.2466 -8.5903 -8.6112 PRESSURE: 2766000 236.194 -21.1382 190.196 -21.1377 -45.2275 16.6774 190.196 16.6778 156.121 GPRESSURE: 2766000 258.865 64.7916 132.753 -85.2209 -58.6377 31.3711 206.138 -37.6256 242.828 PRESSAVG: 2766000 -40.9177 -28.3231 40.1593 -28.3232 12.6259 -43.7799 40.1593 -43.7799 18.7143 GPRESSAVG: 2766000 -41.209 -29.9893 39.5439 -28.406 12.0081 -43.6276 38.7208 -42.339 19.0804 TIMING: 2766000 CPU: 8247.92, 0.00298095/step Wall: 8247.92, 0.00298095/step, 1.84984 hours remaining, 205.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2766000 737.9029 2064.4324 1937.5030 109.2894 -206585.2124 18008.0595 0.0000 0.0000 34327.2856 -149400.7394 299.7887 -183728.0250 -149305.9138 298.9807 115.6959 147.6852 556854.8248 -3.1925 -3.3735 PRESSURE: 2766200 -272.261 -148.289 -0.244371 -148.29 -103.228 85.0445 -0.243782 85.0449 -143.519 GPRESSURE: 2766200 -222.472 -173.987 38.7056 -137.567 -70.405 82.219 -51.425 36.7685 -121.757 PRESSAVG: 2766200 -24.7303 -29.4358 -3.34119 -29.4358 22.2349 -53.3527 -3.34119 -53.3526 -10.1776 GPRESSAVG: 2766200 -25.0873 -30.5237 -2.4152 -29.3933 22.9117 -55.0537 -1.39214 -50.94 -10.7256 TIMING: 2766200 CPU: 8248.51, 0.00294614/step Wall: 8248.51, 0.00294614/step, 1.82808 hours remaining, 205.945312 MB of memory in use. ENERGY: 2766200 802.2202 2070.5276 1951.4486 118.1912 -206449.7830 17717.4385 0.0000 0.0000 34332.4011 -149457.5558 299.8334 -183789.9569 -149371.4801 298.5789 -173.0030 -138.2113 556093.2777 -4.2243 -4.3004 PRESSURE: 2766400 -11.2962 -15.7031 126.748 -15.7022 40.4294 -49.0451 126.747 -49.0459 -75.5633 GPRESSURE: 2766400 -9.78067 -92.1734 165.48 -22.6707 113.513 -71.2995 150.159 -14.7321 -40.6125 PRESSAVG: 2766400 44.7502 -47.8726 18.1467 -47.8725 -20.8776 -52.694 18.1468 -52.6941 17.7654 GPRESSAVG: 2766400 44.8876 -45.1022 18.832 -48.732 -21.9056 -51.9134 17.1793 -53.6413 18.34 TIMING: 2766400 CPU: 8249.1, 0.0029524/step Wall: 8249.1, 0.0029524/step, 1.8318 hours remaining, 205.945312 MB of memory in use. ENERGY: 2766400 765.8735 2103.0611 1912.6995 107.5897 -206141.4500 17721.8852 0.0000 0.0000 34180.5372 -149349.8040 298.5071 -183530.3411 -149255.3373 298.6875 -15.4767 21.0401 555750.3977 13.8793 13.7740 PRESSURE: 2766600 283.665 -120.013 45.1174 -120.014 21.6605 -50.6404 45.1175 -50.6403 184.709 GPRESSURE: 2766600 294.91 -66.1096 39.7969 -95.8669 88.9893 -139.066 38.1777 21.4714 204.959 PRESSAVG: 2766600 -2.30145 -16.9421 -8.99256 -16.9421 -6.13554 -18.7915 -8.99258 -18.7916 7.04441 GPRESSAVG: 2766600 -2.82403 -18.9067 -9.68352 -15.6255 -4.87868 -19.8722 -9.48008 -17.8732 6.35324 TIMING: 2766600 CPU: 8249.69, 0.00295541/step Wall: 8249.69, 0.00295541/step, 1.8335 hours remaining, 205.945312 MB of memory in use. ENERGY: 2766600 771.7921 2071.6016 1929.4775 112.8483 -206918.2660 18153.8886 0.0000 0.0000 34461.4184 -149417.2394 300.9601 -183878.6579 -149314.1609 299.9834 163.3446 196.2861 554070.0517 -0.4642 -0.4498 PRESSURE: 2766800 -82.3349 254.18 -64.864 254.181 -107.029 20.8586 -64.8635 20.8591 10.8811 GPRESSURE: 2766800 -57.1444 288.858 -82.3795 198.248 -111.441 -59.5333 -80.418 111.66 81.3732 PRESSAVG: 2766800 21.0006 -14.025 -39.0717 -14.025 -38.5898 -75.8399 -39.0717 -75.8398 29.9774 GPRESSAVG: 2766800 21.352 -12.8912 -39.0175 -14.5503 -39.4947 -75.614 -37.9903 -76.169 30.402 TIMING: 2766800 CPU: 8250.28, 0.00293188/step Wall: 8250.28, 0.00293188/step, 1.81874 hours remaining, 205.945312 MB of memory in use. ENERGY: 2766800 730.5592 2112.4357 1934.8070 108.5430 -205913.6510 17643.1838 0.0000 0.0000 34131.5900 -149252.5322 298.0797 -183384.1223 -149157.3370 299.3246 -59.4942 -29.0708 557366.0949 4.1294 4.0864 PRESSURE: 2767000 -114.439 -96.4365 87.8922 -96.4363 121.544 90.9178 87.8927 90.917 49.5186 GPRESSURE: 2767000 -33.6898 -125.535 162.843 -66.9322 99.7747 144.129 128.534 24.5817 84.6944 PRESSAVG: 2767000 -5.92563 -5.07647 -7.17271 -5.07643 11.0522 -51.5958 -7.17263 -51.5958 38.651 GPRESSAVG: 2767000 -5.34205 -2.60344 -7.2794 -4.66671 10.788 -51.5581 -8.05423 -52.5375 38.3841 TIMING: 2767000 CPU: 8250.87, 0.00293953/step Wall: 8250.87, 0.00293953/step, 1.82333 hours remaining, 205.945312 MB of memory in use. ENERGY: 2767000 769.6895 2079.6727 1936.4853 118.0781 -206165.3342 17779.5581 0.0000 0.0000 34200.3853 -149281.4652 298.6805 -183481.8505 -149184.6481 299.4006 18.8745 50.2598 556337.5215 14.5925 14.6100 PRESSURE: 2767200 -145.805 -63.4833 100.46 -63.4838 -12.915 32.0667 100.458 32.0662 -21.2874 GPRESSURE: 2767200 -123.356 -23.798 102.02 -10.5148 11.7714 46.9596 123.917 86.2963 22.6646 PRESSAVG: 2767200 10.5912 -19.576 -58.8546 -19.5759 62.9734 -7.07083 -58.8545 -7.07091 -63.3959 GPRESSAVG: 2767200 10.4394 -21.7131 -59.1466 -20.5428 62.8951 -3.80943 -58.6543 -8.05144 -62.8881 TIMING: 2767200 CPU: 8251.46, 0.00294772/step Wall: 8251.46, 0.00294772/step, 1.82824 hours remaining, 205.945312 MB of memory in use. ENERGY: 2767200 738.0404 2179.0311 1948.2526 110.3253 -205989.1495 17565.8451 0.0000 0.0000 34263.1868 -149184.4682 299.2289 -183447.6550 -149100.2198 299.4110 -60.0023 -29.6398 556599.6924 3.3896 3.4821 PRESSURE: 2767400 78.9894 -61.748 7.00777 -61.7482 92.8692 45.9557 7.00643 45.9571 53.8388 GPRESSURE: 2767400 109.873 -65.7598 -72.8552 -68.9116 159.02 28.6016 17.0628 45.7732 58.7751 PRESSAVG: 2767400 26.4521 30.1921 0.508615 30.1921 -37.8746 -47.2053 0.508605 -47.2052 13.4541 GPRESSAVG: 2767400 26.0638 29.6886 -0.400865 31.2299 -36.5692 -49.7183 0.0226352 -46.9056 12.1059 TIMING: 2767400 CPU: 8252.04, 0.00294167/step Wall: 8252.04, 0.00294167/step, 1.82433 hours remaining, 205.945312 MB of memory in use. ENERGY: 2767400 746.8512 2063.7650 1915.0635 125.3930 -206456.5521 17917.7662 0.0000 0.0000 34287.8079 -149399.9054 299.4440 -183687.7133 -149300.8836 299.4389 75.2324 109.2227 556933.9721 0.6772 0.5335 PRESSURE: 2767600 -259.688 117.824 -104.084 117.825 -189.163 62.4835 -104.082 62.4836 -263.355 GPRESSURE: 2767600 -244.896 135.145 -13.6908 152.575 -178.942 48.0193 -126.509 52.684 -181.421 PRESSAVG: 2767600 -76.3883 17.3549 21.2565 17.3549 12.8614 -28.5064 21.2566 -28.5063 54.8305 GPRESSAVG: 2767600 -76.6241 17.4547 21.7805 17.799 11.8744 -27.112 20.6693 -28.3049 56.2365 TIMING: 2767600 CPU: 8252.63, 0.00292669/step Wall: 8252.63, 0.00292669/step, 1.81487 hours remaining, 205.945312 MB of memory in use. ENERGY: 2767600 732.7039 2043.1783 1931.4269 118.9920 -206032.6828 17482.2367 0.0000 0.0000 34247.6752 -149476.4699 299.0935 -183724.1450 -149381.4699 299.3807 -237.4020 -201.7526 558850.5988 -2.8988 -2.8378 PRESSURE: 2767800 119.049 -2.41835 54.7049 -2.41873 41.9579 42.5575 54.7043 42.5582 304.133 GPRESSURE: 2767800 179.47 -43.1091 108.051 28.186 76.454 48.255 60.4587 67.7259 299.969 PRESSAVG: 2767800 -13.3013 -7.00602 -1.68016 -7.00598 -46.9758 7.70068 -1.6802 7.7006 45.5835 GPRESSAVG: 2767800 -12.5267 -7.22672 -0.548675 -9.0641 -46.9474 6.61242 -1.88765 10.5017 45.2988 TIMING: 2767800 CPU: 8253.22, 0.00293892/step Wall: 8253.22, 0.00293892/step, 1.8223 hours remaining, 205.945312 MB of memory in use. ENERGY: 2767800 692.4511 2082.6074 1955.8244 100.9663 -206710.4031 18259.8532 0.0000 0.0000 34284.9064 -149333.7944 299.4186 -183618.7008 -149231.6909 299.3783 155.0466 185.2977 558104.5859 -4.8979 -4.7251 PRESSURE: 2768000 31.9194 66.2027 81.4373 66.2019 80.6598 127.852 81.4379 127.852 211.79 GPRESSURE: 2768000 116.32 -2.36137 59.7336 106.638 93.0527 119.047 127.619 185.982 217.219 PRESSAVG: 2768000 -12.4864 -25.9012 64.8268 -25.9012 25.0232 64.1841 64.8268 64.184 -3.50247 GPRESSAVG: 2768000 -14.3559 -26.3106 63.1416 -23.6863 26.592 63.776 66.1137 63.1715 -3.57033 TIMING: 2768000 CPU: 8253.8, 0.00291765/step Wall: 8253.8, 0.00291765/step, 1.80894 hours remaining, 205.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2768000 708.0590 2114.0280 1952.0950 131.0414 -206466.1898 18100.5468 0.0000 0.0000 34356.7922 -149103.6273 300.0464 -183460.4195 -149017.2451 299.5674 108.1229 142.1974 558940.6012 3.0114 2.8886 PRESSURE: 2768200 -144.688 77.4741 182.857 77.4747 -156.267 149.203 182.858 149.204 -186.1 GPRESSURE: 2768200 -104.635 95.0333 225.481 218.936 -136.376 30.6528 117.599 178.547 -158.969 PRESSAVG: 2768200 -4.94171 49.9733 -32.1874 49.9733 -39.1013 -46.9608 -32.1875 -46.9608 48.0064 GPRESSAVG: 2768200 -3.546 51.8685 -29.8146 47.8602 -41.1563 -46.5934 -35.301 -48.3322 49.2292 TIMING: 2768200 CPU: 8254.39, 0.00294207/step Wall: 8254.39, 0.00294207/step, 1.82392 hours remaining, 205.945312 MB of memory in use. ENERGY: 2768200 779.1185 2116.9197 1964.4272 135.5766 -205811.8271 17509.0510 0.0000 0.0000 34149.9346 -149156.7995 298.2399 -183306.7341 -149059.0162 299.9315 -162.3518 -133.3265 558010.5527 1.3211 1.5090 LDB: ============= START OF LOAD BALANCING ============== 8257.93 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8257.93 LDB: =============== DONE WITH MIGRATION ================ 8257.94 LDB: ============= START OF LOAD BALANCING ============== 8258.23 LDB: Largest compute 4773 load 0.027076 is 22.9% of average load 0.118270 LDB: Average compute 0.001745 is 1.5% of average load 0.118270 LDB: TIME 8258.23 LOAD: AVG 0.11827 MAX 0.202947 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.457 MB LDB: TIME 8258.23 LOAD: AVG 0.11827 MAX 0.202947 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.66 MB LDB: TIME 8258.23 LOAD: AVG 0.11827 MAX 0.202947 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.66 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8258.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8258.24 PRESSURE: 2768400 141.439 -70.7176 -20.4777 -70.7174 19.8125 290.804 -20.4774 290.805 73.0731 GPRESSURE: 2768400 200.26 -52.6376 -66.2 -168.061 33.3202 245.379 -15.6884 276.774 94.8674 PRESSAVG: 2768400 1.50824 22.6 -5.06515 22.6 -7.56838 -32.9581 -5.0652 -32.9582 15.844 GPRESSAVG: 2768400 1.91543 18.0357 -8.13248 24.5002 -7.31154 -32.8327 -1.58412 -33.4364 15.0538 TIMING: 2768400 CPU: 8254.99, 0.00301204/step Wall: 8254.99, 0.00301204/step, 1.86713 hours remaining, 207.292969 MB of memory in use. ENERGY: 2768400 744.4586 2097.5880 1958.3965 121.5206 -206261.1478 18005.8149 0.0000 0.0000 34218.0936 -149115.2756 298.8351 -183333.3693 -149021.9124 300.2733 78.1083 109.4824 558168.2845 3.2613 3.2192 PRESSURE: 2768600 3.84586 82.224 263.756 82.2245 131.445 -97.482 263.756 -97.4813 355.731 GPRESSURE: 2768600 -3.40501 113.539 248.827 30.2829 215.23 -53.9306 283.104 -109.067 367.912 PRESSAVG: 2768600 24.0555 -61.3135 33.8259 -61.3136 -86.0606 34.7307 33.8259 34.7308 39.8448 GPRESSAVG: 2768600 23.9093 -57.8275 36.2328 -62.101 -85.7691 34.6509 31.7711 34.0056 39.3059 TIMING: 2768600 CPU: 8255.58, 0.00296802/step Wall: 8255.58, 0.00296802/step, 1.83968 hours remaining, 207.292969 MB of memory in use. ENERGY: 2768600 770.4295 2104.9590 1954.7650 108.0553 -206386.5108 18071.2068 0.0000 0.0000 34315.3118 -149061.7833 299.6842 -183377.0952 -148968.6340 299.5126 163.6740 193.2456 556828.3343 -7.3868 -7.5180 PRESSURE: 2768800 -200.691 -14.894 -101.717 -14.8936 -91.1244 109.929 -101.716 109.929 -0.128013 GPRESSURE: 2768800 -199.729 17.4411 -158.555 9.24342 -37.5117 73.4996 -87.1888 42.1598 43.0763 PRESSAVG: 2768800 -13.3384 -36.5862 -39.0109 -36.5861 28.9745 -6.65507 -39.0109 -6.65501 -9.97589 GPRESSAVG: 2768800 -12.9521 -36.7338 -39.5051 -38.0754 29.622 -6.38181 -38.0449 -5.63307 -10.9789 TIMING: 2768800 CPU: 8256.18, 0.00299224/step Wall: 8256.18, 0.00299224/step, 1.85452 hours remaining, 207.292969 MB of memory in use. ENERGY: 2768800 776.0697 2081.4235 1923.0155 118.9412 -205739.7764 17588.1019 0.0000 0.0000 34026.7980 -149225.4266 297.1645 -183252.2246 -149134.3380 299.4322 -97.3145 -64.7215 557716.4132 1.8867 1.8970 PRESSURE: 2769000 -25.4018 119.644 -94.3752 119.643 -105.036 47.1056 -94.3756 47.1065 -126.507 GPRESSURE: 2769000 -1.37287 135.105 14.2269 85.4814 -69.8054 103.291 -87.2537 69.0689 -92.9122 PRESSAVG: 2769000 -20.7457 -6.78757 0.098623 -6.78769 41.2899 10.3364 0.0985987 10.3364 -37.7918 GPRESSAVG: 2769000 -20.1599 -7.39766 0.798283 -5.95508 41.7944 12.2165 0.66446 9.74151 -38.3688 TIMING: 2769000 CPU: 8256.78, 0.00299393/step Wall: 8256.78, 0.00299393/step, 1.85541 hours remaining, 207.292969 MB of memory in use. ENERGY: 2769000 743.1600 2055.0385 1948.0595 102.6928 -205878.4865 17618.8874 0.0000 0.0000 34083.8393 -149326.8088 297.6626 -183410.6482 -149226.3764 298.4682 -85.6484 -54.6968 556893.0057 -5.7492 -5.5781 PRESSURE: 2769200 160.459 57.5316 53.6548 57.5311 161.883 -5.90176 53.6554 -5.90224 15.8026 GPRESSURE: 2769200 203.162 33.954 57.95 28.9053 159.361 35.3655 122.122 -27.8499 85.7969 PRESSAVG: 2769200 70.3186 32.8302 -15.9939 32.8303 -19.4787 54.7579 -15.9939 54.7579 -26.0661 GPRESSAVG: 2769200 69.3527 33.702 -17.1485 32.6465 -18.9528 53.9782 -17.205 54.6464 -24.7863 TIMING: 2769200 CPU: 8257.38, 0.00296472/step Wall: 8257.38, 0.00296472/step, 1.83714 hours remaining, 207.292969 MB of memory in use. ENERGY: 2769200 752.3779 2107.1719 1936.6011 109.3867 -206434.2405 17890.0266 0.0000 0.0000 34124.4765 -149514.1997 298.0175 -183638.6762 -149422.5993 298.6252 112.7147 149.4402 554200.9838 8.2579 8.5379 PRESSURE: 2769400 -28.2964 -125.638 221.263 -125.639 304.349 -44.4822 221.262 -44.4821 177.032 GPRESSURE: 2769400 -3.59689 -47.6782 265.252 -90.1048 395.772 -30.6419 148.058 -5.64257 164.128 PRESSAVG: 2769400 17.2403 -73.5032 23.152 -73.5032 26.7099 15.4222 23.152 15.4221 -22.7947 GPRESSAVG: 2769400 17.5652 -75.428 23.8212 -73.7125 26.3789 15.8919 21.8541 14.9389 -22.5008 TIMING: 2769400 CPU: 8257.97, 0.00297724/step Wall: 8257.97, 0.00297724/step, 1.84473 hours remaining, 207.292969 MB of memory in use. ENERGY: 2769400 714.1301 2075.8558 1954.4781 111.2360 -206458.0501 17883.4519 0.0000 0.0000 34291.5068 -149427.3912 299.4763 -183718.8981 -149328.0925 298.8305 151.0282 185.4341 556107.4051 7.0518 7.1478 PRESSURE: 2769600 -68.3015 -97.3698 24.9903 -97.3684 -171.952 0.726344 24.9895 0.726884 -55.2112 GPRESSURE: 2769600 -59.5675 -91.252 -23.2592 -78.7167 -147.754 -42.2941 42.1407 -44.5487 -7.01498 PRESSAVG: 2769600 -17.8571 -71.9538 21.5286 -71.9536 67.9797 -36.5912 21.5286 -36.5912 -56.6568 GPRESSAVG: 2769600 -17.9908 -71.9637 18.7076 -70.641 68.4676 -37.9204 24.8852 -35.6558 -57.1966 TIMING: 2769600 CPU: 8258.56, 0.00296315/step Wall: 8258.56, 0.00296315/step, 1.83584 hours remaining, 207.292969 MB of memory in use. ENERGY: 2769600 693.7970 2101.6246 1920.3375 106.8971 -205922.2172 17453.8055 0.0000 0.0000 34201.1856 -149444.5699 298.6875 -183645.7555 -149348.9069 298.5064 -98.4883 -71.4455 558377.1220 -2.1781 -2.2400 PRESSURE: 2769800 191.748 -103.588 31.5354 -103.59 18.4832 85.1994 31.5352 85.2005 207.798 GPRESSURE: 2769800 250.687 -38.6992 20.927 -119.702 63.7263 66.8394 131.067 47.433 197.693 PRESSAVG: 2769800 -17.3278 53.3957 19.6437 53.3957 -21.2934 -32.7352 19.6437 -32.7354 -2.83108 GPRESSAVG: 2769800 -16.4191 52.5159 22.5368 53.4777 -21.1788 -33.4681 15.9944 -31.7361 -3.64879 TIMING: 2769800 CPU: 8259.16, 0.00297427/step Wall: 8259.16, 0.00297427/step, 1.84256 hours remaining, 207.292969 MB of memory in use. ENERGY: 2769800 771.1947 2125.8838 1947.7440 121.8179 -206611.0367 18037.6154 0.0000 0.0000 34112.8614 -149493.9195 297.9161 -183606.7809 -149398.6376 298.3670 139.3429 170.7021 556659.3878 -13.8174 -13.7489 PRESSURE: 2770000 -19.3517 60.5967 -6.18308 60.5961 191.125 36.5039 -6.18323 36.5042 92.0497 GPRESSURE: 2770000 -8.69081 16.3356 -60.8458 54.1357 212.93 74.0442 9.80034 32.989 156.038 PRESSAVG: 2770000 -2.05938 -13.2123 13.0087 -13.2122 58.1566 13.8907 13.0086 13.8907 -79.5839 GPRESSAVG: 2770000 -3.1572 -11.7787 12.3258 -13.7114 57.6844 16.0888 15.3436 12.8707 -77.7127 TIMING: 2770000 CPU: 8259.76, 0.00301565/step Wall: 8259.76, 0.00301565/step, 1.86803 hours remaining, 207.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2770000 707.2765 2076.6968 1924.2875 114.5757 -206084.4073 17661.1451 0.0000 0.0000 34223.2738 -149377.1519 298.8804 -183600.4257 -149276.7713 298.1450 87.9412 120.0923 557374.8857 -7.8289 -7.7285 PRESSURE: 2770200 -78.1846 56.8288 -159.599 56.8284 -315.379 112.585 -159.599 112.585 106.058 GPRESSURE: 2770200 -43.9741 4.21722 -111.707 118.203 -265.926 138.179 -115.443 96.6402 118.144 PRESSAVG: 2770200 -16.4271 29.3231 1.38729 29.3229 -42.5574 26.453 1.38718 26.453 49.5326 GPRESSAVG: 2770200 -17.1245 31.7682 1.39958 28.1472 -42.8321 26.1977 2.09986 26.1145 50.6311 TIMING: 2770200 CPU: 8260.36, 0.00297479/step Wall: 8260.36, 0.00297479/step, 1.84255 hours remaining, 207.292969 MB of memory in use. ENERGY: 2770200 759.8648 2079.7529 1935.7994 124.4555 -206289.1964 17794.3715 0.0000 0.0000 34148.0379 -149446.9143 298.2233 -183594.9522 -149348.5464 299.0132 -95.8352 -63.9188 557270.1679 -3.1507 -3.1085 PRESSURE: 2770400 -13.8555 29.3397 -63.2318 29.3404 -262.501 116.355 -63.2321 116.356 54.229 GPRESSURE: 2770400 16.0488 26.7084 -51.8301 41.4354 -216.785 117.065 -101.574 119.11 78.1725 PRESSAVG: 2770400 -8.13319 39.657 -22.3484 39.657 -19.4658 17.9666 -22.3485 17.9666 18.8169 GPRESSAVG: 2770400 -7.75045 38.628 -23.8996 40.5109 -19.7199 17.779 -24.0583 18.1693 18.4465 TIMING: 2770400 CPU: 8260.95, 0.0029634/step Wall: 8260.95, 0.0029634/step, 1.83533 hours remaining, 207.292969 MB of memory in use. ENERGY: 2770400 818.4594 2099.5072 1912.7009 99.7921 -206583.2896 17882.2819 0.0000 0.0000 34437.9549 -149332.5931 300.7552 -183770.5480 -149222.6834 299.4958 -74.0423 -40.8546 556568.7376 -2.9273 -3.0079 PRESSURE: 2770600 -25.2471 62.4053 -36.9371 62.4057 -196.645 17.6318 -36.9367 17.6307 -68.5543 GPRESSURE: 2770600 61.5361 14.1037 46.8806 79.6288 -184.699 6.83831 -92.7676 6.39274 -56.7098 PRESSAVG: 2770600 15.0655 -17.1653 4.28121 -17.1654 -20.6371 4.6789 4.2812 4.67876 23.9082 GPRESSAVG: 2770600 15.7966 -18.3694 5.16824 -16.7312 -20.5485 5.66916 3.72845 4.01591 22.939 TIMING: 2770600 CPU: 8261.54, 0.00296919/step Wall: 8261.54, 0.00296919/step, 1.83876 hours remaining, 207.292969 MB of memory in use. ENERGY: 2770600 791.0743 2119.0421 1944.4404 116.1059 -205999.8199 17612.9678 0.0000 0.0000 34232.1713 -149184.0180 298.9581 -183416.1893 -149090.2525 300.1462 -96.8156 -59.9575 557257.5201 6.1122 6.0624 PRESSURE: 2770800 -72.0386 55.7844 -15.8673 55.7857 197.992 159.733 -15.8673 159.734 107.62 GPRESSURE: 2770800 -52.4371 55.1083 -46.8627 92.9673 192.837 99.8421 -65.931 168.555 186.193 PRESSAVG: 2770800 -33.3592 -11.8644 2.47046 -11.8644 -9.80388 28.0662 2.47038 28.0662 3.64807 GPRESSAVG: 2770800 -34.0891 -11.9173 2.33558 -12.5682 -10.1949 26.6727 2.82685 27.7061 4.65624 TIMING: 2770800 CPU: 8262.13, 0.00294403/step Wall: 8262.13, 0.00294403/step, 1.82301 hours remaining, 207.292969 MB of memory in use. ENERGY: 2770800 784.1058 2144.7803 1924.6587 119.6607 -206636.4105 18059.9210 0.0000 0.0000 34346.6864 -149256.5974 299.9582 -183603.2838 -149164.1396 299.7183 77.8577 108.8640 557281.1173 -13.1717 -13.2093 PRESSURE: 2771000 -9.68584 -212.713 -50.1953 -212.712 -72.514 10.8262 -50.1946 10.8264 11.1905 GPRESSURE: 2771000 65.4209 -207.296 -23.5792 -240.102 -40.2371 7.7997 -77.98 -84.5762 4.5595 PRESSAVG: 2771000 25.0799 -57.6763 -33.7931 -57.6763 42.9013 23.0377 -33.7931 23.0378 6.08284 GPRESSAVG: 2771000 24.8457 -55.4834 -34.1864 -58.1397 44.5144 21.3014 -35.5984 23.3375 5.0564 TIMING: 2771000 CPU: 8262.72, 0.00295322/step Wall: 8262.72, 0.00295322/step, 1.82853 hours remaining, 207.292969 MB of memory in use. ENERGY: 2771000 792.0631 2120.7124 1957.5386 114.2484 -206217.6266 17802.7832 0.0000 0.0000 34223.8939 -149206.3868 298.8858 -183430.2808 -149109.7988 299.4323 -23.6698 9.9144 557741.5366 24.6880 24.8055 PRESSURE: 2771200 5.2187 -76.6958 -159.217 -76.6958 27.4056 -188.781 -159.218 -188.779 -186.962 GPRESSURE: 2771200 22.6677 -101.878 -104.236 20.4735 36.4425 -241.749 -226.613 -159.012 -119.899 PRESSAVG: 2771200 -57.4569 -40.9058 -64.1906 -40.9058 44.0092 -2.50421 -64.1907 -2.50422 19.3306 GPRESSAVG: 2771200 -57.0279 -42.6342 -65.0796 -38.9375 43.6574 -1.14179 -60.9579 -2.95857 19.4013 TIMING: 2771200 CPU: 8263.31, 0.00295205/step Wall: 8263.31, 0.00295205/step, 1.82764 hours remaining, 207.292969 MB of memory in use. ENERGY: 2771200 761.8903 2133.0038 1921.6803 105.4099 -205922.1090 17591.8977 0.0000 0.0000 34243.8128 -149164.4142 299.0597 -183408.2270 -149065.1247 300.0867 -51.4458 -20.2630 557054.3450 1.9610 2.0102 PRESSURE: 2771400 64.3623 -54.4266 -36.6105 -54.4265 153.174 91.9728 -36.61 91.9734 -224.614 GPRESSURE: 2771400 76.8828 -94.165 12.596 -114.675 129.55 74.247 -54.9601 48.5285 -114.076 PRESSAVG: 2771400 -23.6568 -25.5831 -82.976 -25.5832 79.4967 -32.4588 -82.9759 -32.4588 -31.3823 GPRESSAVG: 2771400 -22.9958 -25.1331 -82.648 -26.5736 79.0395 -30.4647 -84.0481 -33.178 -31.3721 TIMING: 2771400 CPU: 8263.9, 0.00296003/step Wall: 8263.9, 0.00296003/step, 1.83242 hours remaining, 207.292969 MB of memory in use. ENERGY: 2771400 768.5933 2088.6310 1959.0986 110.7363 -206114.1627 17841.2084 0.0000 0.0000 34146.0096 -149199.8855 298.2056 -183345.8951 -149097.3527 299.7926 -2.3594 30.7858 556827.3388 8.1525 8.2238 PRESSURE: 2771600 -90.7825 -12.5622 216.744 -12.5623 -114.315 19.8294 216.745 19.8325 34.1176 GPRESSURE: 2771600 74.0004 37.4297 205.393 45.5386 -156.398 38.7434 133.06 14.2022 0.408103 PRESSAVG: 2771600 33.8883 12.5336 -9.48886 12.5337 -53.8544 15.1907 -9.48879 15.1907 18.0349 GPRESSAVG: 2771600 33.4111 13.2469 -8.70368 13.6701 -54.3004 12.6601 -8.47572 15.8404 18.6698 TIMING: 2771600 CPU: 8264.49, 0.00294797/step Wall: 8264.49, 0.00294797/step, 1.82479 hours remaining, 207.292969 MB of memory in use. ENERGY: 2771600 718.2537 2129.4015 1939.7745 115.1986 -205838.2617 17526.0434 0.0000 0.0000 34354.0013 -149055.5888 300.0220 -183409.5901 -148964.6560 299.0785 -56.9933 -27.3300 558117.8517 -0.6437 -0.7398 PRESSURE: 2771800 17.4168 -51.1289 111.253 -51.1285 -211.066 20.1143 111.253 20.1151 117.795 GPRESSURE: 2771800 23.3874 -115.398 58.0627 -41.1228 -101.171 -40.0867 107.275 7.5853 104.698 PRESSAVG: 2771800 52.4682 8.62391 -11.1107 8.6239 8.44004 63.8545 -11.1107 63.8545 -31.391 GPRESSAVG: 2771800 51.8668 6.49404 -11.8297 9.863 9.25798 65.8955 -10.7822 64.8008 -31.6833 TIMING: 2771800 CPU: 8265.09, 0.00297362/step Wall: 8265.09, 0.00297362/step, 1.8405 hours remaining, 207.292969 MB of memory in use. ENERGY: 2771800 741.7861 2156.2187 1925.4426 95.9857 -205929.4072 17618.2697 0.0000 0.0000 34195.8360 -149195.8684 298.6407 -183391.7044 -149091.0784 300.0514 -25.2847 8.9715 557574.8381 9.8391 9.8138 PRESSURE: 2772000 138.213 -250.896 24.9843 -250.897 362.287 192.382 24.9842 192.381 85.9028 GPRESSURE: 2772000 133.919 -237.556 -3.46832 -266.684 402.233 139.809 25.7429 214.694 143.236 PRESSAVG: 2772000 -16.1969 -37.3248 3.79621 -37.3248 14.4513 24.1425 3.79612 24.1425 -49.5981 GPRESSAVG: 2772000 -15.8188 -33.7961 4.40251 -41.1161 15.8777 22.7897 2.76239 23.8763 -50.8755 TIMING: 2772000 CPU: 8265.68, 0.00296569/step Wall: 8265.68, 0.00296569/step, 1.83543 hours remaining, 207.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2772000 738.5739 2102.3315 1964.6713 104.4799 -206540.6814 18136.6252 0.0000 0.0000 34482.3859 -149011.6137 301.1433 -183493.9996 -148916.0125 299.7979 195.4675 226.4627 555505.7666 -17.1146 -16.9388 PRESSURE: 2772200 140.702 -148.876 56.3044 -148.877 -330.32 -56.3699 56.3042 -56.3707 -170.346 GPRESSURE: 2772200 167.959 -143.881 -12.5468 -137.358 -266.078 24.5207 47.3473 -34.6224 -171.481 PRESSAVG: 2772200 -15.8679 -67.0927 -48.1491 -67.0928 59.0236 23.6188 -48.1491 23.6189 -6.03688 GPRESSAVG: 2772200 -16.1839 -68.0845 -47.1563 -64.431 57.4664 24.079 -49.4793 23.5567 -4.30512 TIMING: 2772200 CPU: 8266.27, 0.00296333/step Wall: 8266.27, 0.00296333/step, 1.83381 hours remaining, 207.292969 MB of memory in use. ENERGY: 2772200 778.1829 2136.0022 1928.2516 94.7936 -205895.8143 17519.0543 0.0000 0.0000 34242.2847 -149197.2450 299.0464 -183439.5297 -149108.7546 300.0315 -119.9881 -89.8667 556106.3807 12.3729 12.3258 LDB: ============= START OF LOAD BALANCING ============== 8269.82 LDB: ============== END OF LOAD BALANCING =============== 8269.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8269.82 LDB: ============= START OF LOAD BALANCING ============== 8270.12 LDB: Largest compute 4773 load 0.026991 is 22.8% of average load 0.118307 LDB: Average compute 0.001742 is 1.5% of average load 0.118307 LDB: TIME 8270.12 LOAD: AVG 0.118307 MAX 0.206203 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.461 MB LDB: TIME 8270.12 LOAD: AVG 0.118307 MAX 0.206203 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.66 MB LDB: TIME 8270.12 LOAD: AVG 0.118307 MAX 0.206203 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.66 MB LDB: ============== END OF LOAD BALANCING =============== 8270.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8270.13 PRESSURE: 2772400 -89.7971 21.2488 -153.764 21.2488 -253.572 -152.559 -153.764 -152.558 -215.217 GPRESSURE: 2772400 -71.9744 43.4997 -119.634 -62.8422 -233.529 -157.668 -186.572 -59.6632 -155.258 PRESSAVG: 2772400 -16.9269 8.67448 15.0481 8.6745 -11.2263 5.90416 15.0482 5.90427 20.7449 GPRESSAVG: 2772400 -15.9808 10.6911 12.6202 6.59154 -12.0311 5.33959 15.2547 6.83741 20.5782 TIMING: 2772400 CPU: 8266.88, 0.00300704/step Wall: 8266.88, 0.00300704/step, 1.86069 hours remaining, 206.691406 MB of memory in use. ENERGY: 2772400 774.4614 2103.9270 1936.5864 113.0540 -205756.2443 17362.3820 0.0000 0.0000 34092.3118 -149373.5217 297.7366 -183465.8335 -149274.9824 299.6050 -186.1952 -153.5872 557413.4420 -2.4694 -2.4779 PRESSURE: 2772600 -242.689 -134.773 -119.408 -134.773 -273.85 -42.9434 -119.409 -42.9427 -211.582 GPRESSURE: 2772600 -217.234 -141.528 -61.6715 -79.3663 -226.868 -107.299 -147.429 44.9483 -171.665 PRESSAVG: 2772600 -30.7415 -59.0432 -5.1448 -59.0433 77.4768 -16.6221 -5.14471 -16.622 -26.8091 GPRESSAVG: 2772600 -31.5338 -63.0086 -5.13447 -55.9825 78.6064 -16.8526 -4.69253 -17.2733 -27.0258 TIMING: 2772600 CPU: 8267.47, 0.00294902/step Wall: 8267.47, 0.00294902/step, 1.82462 hours remaining, 206.691406 MB of memory in use. ENERGY: 2772600 752.2251 2104.6332 1971.9137 103.1621 -206247.5132 17390.3325 0.0000 0.0000 34236.5255 -149688.7211 298.9961 -183925.2466 -149596.7211 298.4863 -242.7069 -205.2555 556730.6651 6.6421 6.6823 PRESSURE: 2772800 -171.359 -60.1111 270.661 -60.1111 -75.4508 -85.4079 270.663 -85.4069 -38.4883 GPRESSURE: 2772800 -74.7987 -90.2074 285.257 -63.8088 -67.9957 -185.397 272.024 -35.6998 -32.2102 PRESSAVG: 2772800 -43.2784 -0.966147 23.5905 -0.966205 57.0133 -4.43035 23.5904 -4.43031 -22.0902 GPRESSAVG: 2772800 -42.8199 -0.940662 25.9739 -1.41504 56.3542 -4.53558 22.9623 -4.80558 -21.8354 TIMING: 2772800 CPU: 8268.06, 0.00295249/step Wall: 8268.06, 0.00295249/step, 1.82661 hours remaining, 206.691406 MB of memory in use. ENERGY: 2772800 751.1672 2089.4318 1947.6507 121.3487 -206479.6653 17771.5893 0.0000 0.0000 34150.8174 -149647.6602 298.2476 -183798.4776 -149546.7224 298.5789 -95.0994 -58.3349 557053.7534 -2.7851 -2.7670 PRESSURE: 2773000 -24.5613 -8.38939 43.0196 -8.38977 -73.2208 12.5904 43.0201 12.5917 -200.358 GPRESSURE: 2773000 12.0747 -46.3271 49.8763 -53.9971 -43.9418 73.1059 -45.8549 5.72619 -154.406 PRESSAVG: 2773000 11.707 -49.6213 -19.5877 -49.6213 25.8783 40.7223 -19.5877 40.7223 -12.2205 GPRESSAVG: 2773000 10.3732 -50.1055 -21.4358 -50.0498 27.0991 39.8513 -18.8992 41.3832 -12.7454 TIMING: 2773000 CPU: 8268.65, 0.00294508/step Wall: 8268.65, 0.00294508/step, 1.82186 hours remaining, 206.691406 MB of memory in use. ENERGY: 2773000 747.7480 2071.4736 1943.3056 99.9717 -206277.1289 17636.0550 0.0000 0.0000 34180.4810 -149598.0940 298.5066 -183778.5750 -149504.5271 298.0295 -99.3801 -62.0912 556897.1577 8.4549 8.2423 PRESSURE: 2773200 -65.601 83.0812 -83.429 83.0811 19.7019 -83.9891 -83.4282 -83.9888 -110.246 GPRESSURE: 2773200 -15.1203 82.3503 -70.3114 189.035 36.3062 -61.6572 -86.1496 -100.238 -76.4455 PRESSAVG: 2773200 -42.7002 -86.1133 -10.1571 -86.1132 29.3866 18.11 -10.1571 18.1101 6.62646 GPRESSAVG: 2773200 -41.9628 -86.8124 -8.26284 -85.0951 27.9372 19.0461 -12.569 18.2386 6.84105 TIMING: 2773200 CPU: 8269.23, 0.00294471/step Wall: 8269.23, 0.00294471/step, 1.82147 hours remaining, 206.691406 MB of memory in use. ENERGY: 2773200 744.9469 2021.4722 1967.4028 111.3660 -206689.5795 17989.1455 0.0000 0.0000 34267.6526 -149587.5935 299.2679 -183855.2462 -149489.0418 298.5559 -52.0485 -18.4199 558205.0280 -2.2290 -2.3948 PRESSURE: 2773400 -239.97 88.8527 101.872 88.8523 170.409 -53.8113 101.87 -53.8128 147.08 GPRESSURE: 2773400 -178.907 15.7093 66.8995 155.196 187.087 -78.2113 131.745 -35.296 158.878 PRESSAVG: 2773400 11.969 36.4006 -68.3693 36.4007 -29.556 -3.45229 -68.3692 -3.45232 11.5224 GPRESSAVG: 2773400 11.5357 37.3356 -71.1374 34.0743 -29.8284 -3.11696 -64.7249 -3.49686 11.7739 TIMING: 2773400 CPU: 8269.83, 0.002995/step Wall: 8269.83, 0.002995/step, 1.85241 hours remaining, 206.691406 MB of memory in use. ENERGY: 2773400 720.9424 2134.1290 1944.2619 109.2884 -206593.4348 17963.4586 0.0000 0.0000 34087.5401 -149633.8144 297.6950 -183721.3545 -149543.4012 299.1570 25.8397 55.6858 557967.2995 -2.0215 -2.1729 PRESSURE: 2773600 -118.37 -132.298 25.6081 -132.299 302.412 -72.5018 25.6099 -72.5025 94.7573 GPRESSURE: 2773600 -55.046 -49.4221 -63.8508 -147.09 272.929 -203.125 74.3688 -47.9612 142.104 PRESSAVG: 2773600 -34.7614 -9.82616 -35.926 -9.82615 11.8645 -24.6696 -35.926 -24.6696 6.0238 GPRESSAVG: 2773600 -35.3921 -10.811 -34.3151 -6.74624 13.6209 -24.6581 -38.6723 -24.9688 4.67127 TIMING: 2773600 CPU: 8270.43, 0.00297269/step Wall: 8270.43, 0.00297269/step, 1.83844 hours remaining, 206.691406 MB of memory in use. ENERGY: 2773600 729.7211 2109.8557 1950.6435 106.5035 -206617.3580 18139.1075 0.0000 0.0000 34071.8994 -149509.6273 297.5584 -183581.5267 -149413.4270 297.9685 92.9332 119.9956 556555.4661 -5.6244 -5.7000 PRESSURE: 2773800 -106.39 -61.4535 5.29798 -61.4534 -165.354 -40.5816 5.29862 -40.582 -216.251 GPRESSURE: 2773800 -80.4611 -50.4999 119.207 -48.5904 -155.004 -57.4103 19.9036 -3.64604 -163.265 PRESSAVG: 2773800 15.7698 -49.4496 -8.47608 -49.4495 16.3589 -23.526 -8.47606 -23.5259 -7.28363 GPRESSAVG: 2773800 16.9218 -48.298 -7.95618 -51.2586 16.3469 -23.6056 -7.01222 -23.4924 -8.29062 TIMING: 2773800 CPU: 8271.02, 0.00297581/step Wall: 8271.02, 0.00297581/step, 1.84021 hours remaining, 206.691406 MB of memory in use. ENERGY: 2773800 733.8068 2114.0996 1960.2337 105.5884 -206005.1906 17610.3801 0.0000 0.0000 33930.4492 -149550.6327 296.3231 -183481.0818 -149449.2989 298.6957 -162.6650 -132.9102 558006.0831 8.2817 8.3260 PRESSURE: 2774000 51.5541 -17.0064 199.956 -17.0071 -261.676 -25.1234 199.956 -25.1223 -355.064 GPRESSURE: 2774000 105.784 -37.1341 215.69 -2.48642 -264.333 -24.8766 191.42 -26.3893 -298.553 PRESSAVG: 2774000 28.2064 -10.6092 -34.5243 -10.6092 8.23683 15.5021 -34.5243 15.5023 -18.3748 GPRESSAVG: 2774000 27.4813 -11.6614 -35.1955 -8.56391 6.89789 16.3413 -33.9716 15.0311 -15.9061 TIMING: 2774000 CPU: 8271.61, 0.00294892/step Wall: 8271.61, 0.00294892/step, 1.82342 hours remaining, 206.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2774000 754.6390 2049.5593 1949.0010 108.1791 -206202.6240 17547.3524 0.0000 0.0000 34186.5300 -149607.3632 298.5595 -183793.8932 -149509.1379 297.9732 -188.3952 -152.3674 557052.5281 6.0228 6.1577 PRESSURE: 2774200 37.8864 32.0401 183.039 32.0399 -107.147 -60.8726 183.038 -60.8721 -524.091 GPRESSURE: 2774200 47.9736 66.3051 135.315 -73.0508 -112.047 -71.6784 244.942 -15.2744 -422.212 PRESSAVG: 2774200 27.7261 45.4518 31.6856 45.4518 -41.8455 15.4163 31.6856 15.4164 16.4769 GPRESSAVG: 2774200 28.1361 47.4528 32.1498 40.8477 -41.5381 13.9927 30.2166 14.1687 15.9238 TIMING: 2774200 CPU: 8272.2, 0.00293326/step Wall: 8272.2, 0.00293326/step, 1.81357 hours remaining, 206.691406 MB of memory in use. ENERGY: 2774200 782.1308 2081.3109 1919.1006 117.2448 -206139.8449 17609.1368 0.0000 0.0000 34000.4529 -149630.4680 296.9344 -183630.9209 -149534.8991 298.4336 -197.7838 -162.0952 556856.9054 0.7858 0.8406 PRESSURE: 2774400 -246.712 -50.9304 41.3249 -50.9291 -6.20076 70.2994 41.3247 70.2993 72.304 GPRESSURE: 2774400 -272.05 -120.678 -31.9181 -59.8998 57.8843 0.54308 125.812 91.7455 123.789 PRESSAVG: 2774400 -33.0154 -8.19714 2.22047 -8.19723 25.4792 -2.45085 2.22047 -2.45092 23.2073 GPRESSAVG: 2774400 -32.9488 -8.77754 1.98672 -6.08152 25.689 -1.35902 2.07904 -1.26848 22.8512 TIMING: 2774400 CPU: 8272.79, 0.0029418/step Wall: 8272.79, 0.0029418/step, 1.81868 hours remaining, 206.691406 MB of memory in use. ENERGY: 2774400 729.6059 2094.9382 1924.3833 122.4267 -206417.8228 17684.5594 0.0000 0.0000 34524.9079 -149337.0014 301.5146 -183861.9093 -149238.9680 298.6681 -60.2030 -30.1255 556589.2464 5.2237 5.1971 PRESSURE: 2774600 -58.1206 67.1111 -76.2843 67.1113 -35.1873 -68.1392 -76.2834 -68.1409 265.717 GPRESSURE: 2774600 30.0396 94.3555 -48.0117 79.8516 -38.6508 -103.371 -50.6416 -58.672 263.249 PRESSAVG: 2774600 -4.80131 -23.7883 -30.5803 -23.7882 -8.45873 -73.6202 -30.5805 -73.6203 -2.0062 GPRESSAVG: 2774600 -4.15087 -24.9801 -32.2293 -23.9941 -8.77147 -73.7992 -28.947 -72.534 -2.58271 TIMING: 2774600 CPU: 8273.38, 0.00296075/step Wall: 8273.38, 0.00296075/step, 1.83024 hours remaining, 206.691406 MB of memory in use. ENERGY: 2774600 766.8631 2121.1658 1937.2643 112.9145 -206445.1924 17814.6856 0.0000 0.0000 34415.0216 -149277.2776 300.5549 -183692.2992 -149182.3932 299.4523 57.4697 84.8793 556183.9384 -5.0887 -5.1683 PRESSURE: 2774800 -86.4008 3.10351 20.6578 3.10398 -38.6507 -75.806 20.6591 -75.8051 -55.3123 GPRESSURE: 2774800 -48.3763 27.9527 53.8996 -21.7282 -10.2487 -126.534 4.37149 -31.1697 -27.472 PRESSAVG: 2774800 -0.997058 28.3116 23.8329 28.3116 20.6348 17.1693 23.833 17.1694 9.06645 GPRESSAVG: 2774800 -0.327196 29.9784 26.3846 28.2083 20.1879 17.6345 22.5694 16.1963 9.16232 TIMING: 2774800 CPU: 8273.97, 0.00295184/step Wall: 8273.97, 0.00295184/step, 1.82457 hours remaining, 206.691406 MB of memory in use. ENERGY: 2774800 801.1086 2099.6159 1916.7290 116.7704 -206338.4099 17845.1664 0.0000 0.0000 34409.6726 -149149.3470 300.5082 -183559.0196 -149059.8520 300.0689 -60.1212 -28.6990 557172.7308 9.5681 9.6743 PRESSURE: 2775000 -162.776 -105.882 23.8503 -105.881 -103.469 -10.6363 23.8506 -10.6357 -167.848 GPRESSURE: 2775000 -144.438 -56.6296 31.5534 -134.248 -60.5984 2.93696 12.5933 -69.9562 -120.023 PRESSAVG: 2775000 -32.0695 19.3353 6.93663 19.3351 -26.0972 -7.94067 6.93657 -7.94066 82.6953 GPRESSAVG: 2775000 -33.292 18.6096 5.63554 19.8753 -25.9773 -8.10497 9.39987 -6.76345 84.0048 TIMING: 2775000 CPU: 8274.56, 0.00295513/step Wall: 8274.56, 0.00295513/step, 1.82643 hours remaining, 206.691406 MB of memory in use. ENERGY: 2775000 738.0883 2146.2012 1950.7149 109.5313 -205977.3679 17663.9891 0.0000 0.0000 34126.6083 -149242.2349 298.0362 -183368.8432 -149144.4108 299.6728 -144.6974 -108.3532 556877.9297 8.1762 8.2452 PRESSURE: 2775200 -61.8805 75.1103 0.534834 75.1103 -135.753 -45.358 0.535207 -45.3579 167.15 GPRESSURE: 2775200 -18.6052 53.5051 -1.984 196.083 -119.263 -51.0833 31.3642 -11.7426 198.371 PRESSAVG: 2775200 12.2613 -15.3033 51.6275 -15.3033 -53.4514 40.1909 51.6274 40.1909 20.0034 GPRESSAVG: 2775200 12.8847 -16.777 52.2371 -14.7803 -53.3931 39.993 49.9608 38.358 18.902 TIMING: 2775200 CPU: 8275.15, 0.00294536/step Wall: 8275.15, 0.00294536/step, 1.82023 hours remaining, 206.691406 MB of memory in use. ENERGY: 2775200 749.6788 2087.7147 1950.5963 110.0059 -205988.6262 17591.2812 0.0000 0.0000 33936.9879 -149562.3612 296.3802 -183499.3492 -149463.0138 298.3835 -10.1611 20.1677 556358.2597 -7.0622 -7.2021 PRESSURE: 2775400 -148.262 161.152 90.3244 161.152 -115.151 -28.717 90.3239 -28.7183 -193.099 GPRESSURE: 2775400 -100.422 191.988 138.935 81.6737 -81.9768 -94.603 12.5679 9.78089 -177.55 PRESSAVG: 2775400 -6.32092 47.0526 4.49129 47.0527 -41.1673 -10.3355 4.4913 -10.3355 20.8969 GPRESSAVG: 2775400 -7.36492 47.4449 4.5983 46.9808 -40.9127 -9.90576 3.685 -10.3515 21.6845 TIMING: 2775400 CPU: 8275.75, 0.00297525/step Wall: 8275.75, 0.00297525/step, 1.83854 hours remaining, 206.691406 MB of memory in use. ENERGY: 2775400 773.6315 2098.6165 1953.2042 110.9258 -206533.8748 17611.2250 0.0000 0.0000 34290.8107 -149695.4610 299.4702 -183986.2717 -149597.1558 297.9927 -152.1709 -119.9827 556592.6477 -8.8638 -8.8644 PRESSURE: 2775600 -0.519449 -106.883 117.045 -106.883 34.4579 -5.00057 117.045 -5.00102 -320.31 GPRESSURE: 2775600 6.5303 -136.625 83.5554 -120.025 57.2603 -21.3448 210.182 -45.8891 -258.867 PRESSAVG: 2775600 -25.2994 50.7583 26.4505 50.7583 58.3421 36.2366 26.4505 36.2366 -22.8144 GPRESSAVG: 2775600 -24.2486 51.3832 27.9416 51.1093 57.2073 34.3798 27.2985 36.2046 -22.81 TIMING: 2775600 CPU: 8276.34, 0.00296599/step Wall: 8276.34, 0.00296599/step, 1.83265 hours remaining, 206.691406 MB of memory in use. ENERGY: 2775600 781.1983 2160.8783 1952.2384 116.0398 -206503.9240 17890.4541 0.0000 0.0000 34019.6313 -149583.4838 297.1019 -183603.1151 -149484.5554 298.3414 -95.4571 -65.0255 557592.7835 3.4094 3.3829 PRESSURE: 2775800 -29.2765 156.473 123.246 156.473 18.3862 -140.193 123.246 -140.196 -45.3166 GPRESSURE: 2775800 -14.2985 189.393 108.029 108.395 85.4904 -172.96 4.16125 -173.807 -30.9328 PRESSAVG: 2775800 8.02529 53.5718 62.6266 53.5719 12.7499 -18.3748 62.6266 -18.3748 -47.9264 GPRESSAVG: 2775800 7.22961 54.4538 59.8548 52.558 13.7183 -15.5577 62.1792 -19.7521 -48.1764 TIMING: 2775800 CPU: 8276.93, 0.00296753/step Wall: 8276.93, 0.00296753/step, 1.83344 hours remaining, 206.691406 MB of memory in use. ENERGY: 2775800 719.7582 2128.5701 1985.7163 123.0341 -206631.7116 17962.3104 0.0000 0.0000 34238.9788 -149473.3437 299.0175 -183712.3226 -149376.0668 298.5143 -18.7356 13.4197 556710.9781 -9.0504 -9.0762 PRESSURE: 2776000 114.098 -18.224 72.8468 -18.2233 261.802 31.4062 72.8454 31.4057 23.4177 GPRESSURE: 2776000 161.475 36.3321 79.8468 -11.5206 266.259 39.5457 3.72141 45.2219 72.0506 PRESSAVG: 2776000 -34.0132 -20.3811 -39.9816 -20.381 31.9874 -13.4301 -39.9816 -13.4301 30.363 GPRESSAVG: 2776000 -32.6581 -18.9324 -39.2668 -19.7377 30.7597 -13.7128 -40.0929 -13.6533 30.2461 TIMING: 2776000 CPU: 8277.53, 0.00298221/step Wall: 8277.53, 0.00298221/step, 1.84234 hours remaining, 206.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2776000 764.8278 2075.3720 1960.9951 110.4792 -206799.4438 18025.4579 0.0000 0.0000 34315.9210 -149546.3908 299.6895 -183862.3118 -149444.6286 299.0163 133.1058 166.5949 554365.1939 9.4457 9.4492 PRESSURE: 2776200 74.7184 -7.87698 -65.463 -7.87704 29.5084 -99.9404 -65.4629 -99.9404 188.891 GPRESSURE: 2776200 104.863 -14.7007 -81.8614 -101.984 76.4771 -101.907 -83.5998 -95.4479 214.714 PRESSAVG: 2776200 -42.674 42.6663 8.99465 42.6663 61.1323 -42.2879 8.99471 -42.2881 -8.87058 GPRESSAVG: 2776200 -43.3589 40.5143 8.07584 41.7834 62.3791 -43.7154 10.4926 -39.119 -9.69701 TIMING: 2776200 CPU: 8278.12, 0.00297059/step Wall: 8278.12, 0.00297059/step, 1.835 hours remaining, 206.691406 MB of memory in use. ENERGY: 2776200 729.9853 2100.5988 1949.2103 104.3523 -206465.3645 17999.5083 0.0000 0.0000 34017.6731 -149564.0366 297.0848 -183581.7096 -149460.6764 298.8870 97.7059 132.0182 556439.0968 3.1959 3.1077 LDB: ============= START OF LOAD BALANCING ============== 8281.67 LDB: ============== END OF LOAD BALANCING =============== 8281.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8281.67 LDB: ============= START OF LOAD BALANCING ============== 8281.97 LDB: Largest compute 4773 load 0.027036 is 22.9% of average load 0.118307 LDB: Average compute 0.001744 is 1.5% of average load 0.118307 LDB: TIME 8281.97 LOAD: AVG 0.118307 MAX 0.205811 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.973 MB LDB: TIME 8281.97 LOAD: AVG 0.118307 MAX 0.205811 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.973 MB LDB: TIME 8281.97 LOAD: AVG 0.118307 MAX 0.205811 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.973 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8281.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8281.98 PRESSURE: 2776400 14.2874 111.035 167.588 111.036 259.924 -81.143 167.586 -81.1444 30.2566 GPRESSURE: 2776400 -15.003 243.902 159.996 -53.857 308.162 -79.6156 95.4982 -116.407 100.538 PRESSAVG: 2776400 -82.5167 42.5854 18.1139 42.5855 22.0685 -27.3479 18.1138 -27.348 53.7253 GPRESSAVG: 2776400 -81.5375 40.3282 19.8686 44.8501 21.1913 -26.7068 17.1349 -29.9541 53.1528 TIMING: 2776400 CPU: 8278.73, 0.00303226/step Wall: 8278.73, 0.00303226/step, 1.87293 hours remaining, 207.488281 MB of memory in use. ENERGY: 2776400 761.9935 2020.7052 2007.5251 109.8130 -206780.2391 17965.3041 0.0000 0.0000 34267.1250 -149647.7733 299.2633 -183914.8983 -149550.3398 298.2505 101.4893 131.2321 555609.0577 -2.2410 -2.3978 PRESSURE: 2776600 -114.779 -10.9682 -77.8319 -10.9688 400.893 -55.355 -77.8331 -55.3557 -4.06826 GPRESSURE: 2776600 -47.3553 -6.44566 -30.8673 -74.9829 386.539 -105.559 -115.272 13.4107 45.5925 PRESSAVG: 2776600 -50.8803 -24.6022 -28.2288 -24.6023 12.6586 -68.9222 -28.2289 -68.9222 36.4038 GPRESSAVG: 2776600 -52.5044 -22.789 -26.1121 -25.8719 12.8007 -67.8562 -30.0967 -67.9534 37.0872 TIMING: 2776600 CPU: 8279.32, 0.00294429/step Wall: 8279.32, 0.00294429/step, 1.81842 hours remaining, 207.691406 MB of memory in use. ENERGY: 2776600 733.6553 2099.5484 1947.0885 119.0684 -206526.4096 17973.7974 0.0000 0.0000 34120.2461 -149533.0055 297.9806 -183653.2516 -149434.4560 298.6418 94.0155 128.2589 556977.0757 -0.6060 -0.8722 PRESSURE: 2776800 154.342 -202.841 -56.8345 -202.841 162.301 -139.993 -56.8351 -139.993 -1.6673 GPRESSURE: 2776800 182.003 -178.419 -26.339 -213.578 224.861 -103.224 -27.1929 -99.3013 4.19537 PRESSAVG: 2776800 -8.09521 24.0668 -20.9625 24.0669 24.1195 -17.5228 -20.9624 -17.5229 -33.1359 GPRESSAVG: 2776800 -8.30687 25.2416 -22.6547 22.5963 25.1384 -16.9763 -19.2935 -17.3254 -34.2808 TIMING: 2776800 CPU: 8279.91, 0.00295324/step Wall: 8279.91, 0.00295324/step, 1.82379 hours remaining, 207.691406 MB of memory in use. ENERGY: 2776800 730.0816 2067.2520 1929.8170 102.8671 -206500.8314 18029.2468 0.0000 0.0000 34170.4544 -149471.1126 298.4191 -183641.5669 -149372.9795 298.0444 104.9919 137.0200 556153.0522 -5.7039 -5.8164 PRESSURE: 2777000 -129.125 -54.366 -256.664 -54.3659 -276.417 -60.6204 -256.663 -60.62 -239.679 GPRESSURE: 2777000 -127.803 -106.775 -215.217 -62.6182 -196.982 -206.512 -216.561 1.00781 -229.468 PRESSAVG: 2777000 69.9788 4.25093 18.7396 4.25101 5.03831 2.37473 18.7397 2.37478 -47.1544 GPRESSAVG: 2777000 69.2532 4.51495 18.0643 5.36918 4.74253 -0.350238 18.1247 4.89629 -46.1697 TIMING: 2777000 CPU: 8280.51, 0.00299365/step Wall: 8280.51, 0.00299365/step, 1.84858 hours remaining, 207.691406 MB of memory in use. ENERGY: 2777000 768.5251 2005.1328 1970.2886 115.1688 -206061.0052 17546.0340 0.0000 0.0000 34092.0851 -149563.7707 297.7347 -183655.8558 -149461.7748 297.7827 -215.0735 -184.7512 556867.8824 9.2876 9.2753 PRESSURE: 2777200 122.692 -11.1982 -94.9779 -11.1994 140.74 -40.2024 -94.9778 -40.2016 -94.0878 GPRESSURE: 2777200 143.93 -48.593 -91.6091 -78.0004 189.882 -59.1912 -77.5147 -27.4949 -60.0252 PRESSAVG: 2777200 -0.213616 -67.3544 -18.6894 -67.3543 44.4424 37.7981 -18.6895 37.798 -4.32115 GPRESSAVG: 2777200 -0.0706088 -67.8714 -20.6193 -67.2588 44.8447 41.1098 -16.8185 34.3693 -4.82983 TIMING: 2777200 CPU: 8281.1, 0.00295923/step Wall: 8281.1, 0.00295923/step, 1.82716 hours remaining, 207.691406 MB of memory in use. ENERGY: 2777200 754.2599 2080.4186 1945.8980 113.5116 -206691.4581 18021.7566 0.0000 0.0000 34162.4906 -149613.1228 298.3495 -183775.6134 -149512.3951 298.7093 56.4480 91.2624 555241.6061 13.3025 13.3148 PRESSURE: 2777400 -30.3692 79.2128 -132.61 79.2127 -28.4771 39.9105 -132.609 39.9106 -245.272 GPRESSURE: 2777400 20.7969 14.1059 -71.7719 106.422 -31.0443 59.9223 -243.376 -51.3419 -190.342 PRESSAVG: 2777400 -91.6191 -38.1573 6.39558 -38.1574 140.224 25.9111 6.39547 25.9111 -31.5493 GPRESSAVG: 2777400 -91.5619 -39.9832 7.54457 -38.0201 139.726 23.495 4.17147 27.1038 -30.9007 TIMING: 2777400 CPU: 8281.69, 0.00296196/step Wall: 8281.69, 0.00296196/step, 1.82868 hours remaining, 207.691406 MB of memory in use. ENERGY: 2777400 741.1617 2136.5794 1935.7728 111.4598 -206408.7883 17705.6455 0.0000 0.0000 34227.5886 -149550.5805 298.9180 -183778.1691 -149449.3001 298.3068 -101.3726 -66.8631 557680.1915 5.6853 5.7546 PRESSURE: 2777600 124.38 138.15 104.176 138.15 218.52 57.8913 104.177 57.8917 22.546 GPRESSURE: 2777600 109.957 86.8471 98.8429 143.782 262.643 78.2231 127.62 111.437 94.134 PRESSAVG: 2777600 0.112319 -7.74145 4.3685 -7.74138 62.8056 4.60595 4.36853 4.6059 -47.0282 GPRESSAVG: 2777600 1.37595 -6.49891 4.06116 -7.01924 61.9089 5.09668 5.64015 4.62382 -47.4284 TIMING: 2777600 CPU: 8282.28, 0.00295616/step Wall: 8282.28, 0.00295616/step, 1.82493 hours remaining, 207.691406 MB of memory in use. ENERGY: 2777600 707.2301 2172.3656 1931.6974 110.6304 -206249.6444 17862.3134 0.0000 0.0000 34092.3442 -149373.0632 297.7369 -183465.4074 -149280.5707 297.9735 121.8154 155.5782 556633.6174 5.2966 5.2855 PRESSURE: 2777800 -104.165 66.873 -46.6949 66.8734 -14.9993 -23.5286 -46.6954 -23.5268 -125.235 GPRESSURE: 2777800 -63.3369 138.296 -42.6909 94.7333 12.1258 37.3476 -16.7547 -43.0982 -111.435 PRESSAVG: 2777800 31.4055 -38.4297 4.12599 -38.4296 3.19424 -49.8714 4.12591 -49.8714 -46.5477 GPRESSAVG: 2777800 30.8238 -37.2072 4.89009 -41.1376 4.42588 -51.6304 5.15902 -49.8598 -46.7078 TIMING: 2777800 CPU: 8282.87, 0.00296035/step Wall: 8282.87, 0.00296035/step, 1.82736 hours remaining, 207.691406 MB of memory in use. ENERGY: 2777800 751.0216 2128.3316 1917.9566 103.3725 -205924.7533 17556.0163 0.0000 0.0000 34145.1708 -149322.8839 298.1983 -183468.0547 -149224.8036 298.4565 -81.4665 -54.2155 558090.3076 -3.9827 -3.8193 PRESSURE: 2778000 -99.8279 -180.068 0.965866 -180.067 -56.8955 36.2581 0.964992 36.2606 -69.2724 GPRESSURE: 2778000 -83.3302 -221.246 -17.3445 -200.969 -16.8568 19.9316 27.6105 20.2627 -22.9805 PRESSAVG: 2778000 -11.4639 57.9378 35.4784 57.9378 36.9771 10.5016 35.4783 10.5017 -10.9869 GPRESSAVG: 2778000 -11.0705 57.1351 34.0892 58.9719 36.755 11.8962 34.5983 11.4652 -11.7068 TIMING: 2778000 CPU: 8283.47, 0.00295205/step Wall: 8283.47, 0.00295205/step, 1.82207 hours remaining, 207.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2778000 731.7201 2113.2673 1911.8616 107.8912 -206306.1873 17655.6406 0.0000 0.0000 34170.0124 -149615.7942 298.4152 -183785.8066 -149516.7136 297.6528 -75.3319 -41.0558 557086.0117 4.8421 4.6592 PRESSURE: 2778200 42.6664 22.0947 -60.7502 22.0948 -246.877 5.07391 -60.749 5.07305 -175.349 GPRESSURE: 2778200 106.656 27.8015 -76.2837 11.2441 -239.37 -34.1679 -170.594 -26.4335 -160.152 PRESSAVG: 2778200 31.1146 -30.1009 29.3472 -30.101 -60.5118 11.2256 29.3472 11.2255 18.4651 GPRESSAVG: 2778200 32.3526 -29.7929 29.9313 -31.923 -61.7691 10.631 29.6682 11.4048 18.5683 TIMING: 2778200 CPU: 8284.05, 0.00294387/step Wall: 8284.05, 0.00294387/step, 1.81686 hours remaining, 207.691406 MB of memory in use. ENERGY: 2778200 747.0840 2045.9011 1948.0039 122.0505 -206449.8255 17749.4591 0.0000 0.0000 34244.6204 -149592.7065 299.0668 -183837.3269 -149494.0779 297.7870 -126.5198 -97.6221 559619.2252 -3.6440 -3.6161 PRESSURE: 2778400 -198.161 -75.3037 5.83224 -75.3042 128.225 112.38 5.83191 112.379 -276.059 GPRESSURE: 2778400 -159.711 -76.764 33.0546 -73.8807 174.958 99.5745 30.2775 65.254 -261.837 PRESSAVG: 2778400 8.99338 -32.5541 53.1097 -32.5541 -57.7902 -8.16479 53.1097 -8.16482 50.732 GPRESSAVG: 2778400 7.86079 -32.9475 54.4454 -30.9848 -56.412 -7.68146 51.8792 -10.4119 51.4436 TIMING: 2778400 CPU: 8284.65, 0.00297522/step Wall: 8284.65, 0.00297522/step, 1.83604 hours remaining, 207.691406 MB of memory in use. ENERGY: 2778400 743.4683 2111.5961 1935.6967 109.9914 -205973.6540 17659.5321 0.0000 0.0000 33983.1317 -149430.2377 296.7831 -183413.3694 -149331.8807 298.0536 -115.3316 -82.1969 559035.1262 0.6451 0.9641 PRESSURE: 2778600 -6.19222 -96.4758 199.396 -96.4758 -69.8613 -1.14169 199.397 -1.14099 -167.099 GPRESSURE: 2778600 -30.057 -173.648 215.156 -18.5623 -10.9421 43.8965 100.269 52.2357 -94.9752 PRESSAVG: 2778600 0.574985 -6.81349 16.3104 -6.81351 -6.37874 -3.95487 16.3105 -3.95485 -24.4846 GPRESSAVG: 2778600 0.980318 -5.95928 14.6667 -6.53854 -6.08433 -2.77376 16.5114 -2.78123 -25.3033 TIMING: 2778600 CPU: 8285.24, 0.00295446/step Wall: 8285.24, 0.00295446/step, 1.82306 hours remaining, 207.691406 MB of memory in use. ENERGY: 2778600 726.6353 2096.1257 1952.8251 103.6045 -206261.2292 17705.2186 0.0000 0.0000 34171.4761 -149505.3438 298.4280 -183676.8199 -149410.0051 298.0442 -81.0507 -45.3248 558322.1321 -10.0961 -10.1358 PRESSURE: 2778800 -10.4939 173.568 -208.203 173.568 25.6828 55.2949 -208.202 55.2938 105.366 GPRESSURE: 2778800 48.7126 230.992 -172.236 188.011 51.0255 96.4942 -212.991 -51.3852 128.465 PRESSAVG: 2778800 25.5116 -1.12439 50.788 -1.12443 -22.6475 -4.04596 50.7881 -4.04606 -20.16 GPRESSAVG: 2778800 25.462 -2.99085 50.2264 -2.20213 -23.7508 -5.99482 50.9751 -3.14917 -19.1137 TIMING: 2778800 CPU: 8285.83, 0.00295548/step Wall: 8285.83, 0.00295548/step, 1.82353 hours remaining, 207.691406 MB of memory in use. ENERGY: 2778800 760.2163 2074.5288 1946.6417 109.3054 -206853.1530 18091.9317 0.0000 0.0000 34057.5410 -149812.9882 297.4330 -183870.5292 -149724.4371 297.7776 40.1848 76.0678 557472.5673 -5.7653 -5.8008 PRESSURE: 2779000 35.5848 -51.0614 -113.169 -51.0612 -205.001 78.3705 -113.17 78.3707 -57.1222 GPRESSURE: 2779000 56.981 -118.226 24.3338 -14.5839 -171.266 41.2418 -214.751 178.239 -30.4356 PRESSAVG: 2779000 11.9237 -4.64533 -24.1121 -4.64532 23.4331 11.0293 -24.1121 11.0294 -24.2855 GPRESSAVG: 2779000 12.2103 -4.24633 -22.388 -3.73421 22.8886 10.8948 -23.3963 10.017 -24.3742 TIMING: 2779000 CPU: 8286.43, 0.00297204/step Wall: 8286.43, 0.00297204/step, 1.83359 hours remaining, 207.691406 MB of memory in use. ENERGY: 2779000 753.6476 2125.6211 1909.9020 108.2062 -206705.7379 17836.4864 0.0000 0.0000 34082.7851 -149889.0896 297.6534 -183971.8746 -149796.1541 297.4429 -75.5127 -48.2401 557257.3779 3.6904 3.5749 PRESSURE: 2779200 84.5839 -42.0646 37.8448 -42.0651 117.876 -5.38831 37.8462 -5.39008 225.276 GPRESSURE: 2779200 106.964 -52.1323 90.5675 -96.1101 149.658 43.9475 -50.0457 -65.6449 281.035 PRESSAVG: 2779200 24.2132 -36.4478 -42.5716 -36.4478 18.8069 -13.1199 -42.5716 -13.1198 13.9932 GPRESSAVG: 2779200 24.7248 -34.0827 -44.2546 -37.5565 18.7471 -13.0338 -42.2829 -12.3349 13.9199 TIMING: 2779200 CPU: 8287.01, 0.00294217/step Wall: 8287.01, 0.00294217/step, 1.81499 hours remaining, 207.691406 MB of memory in use. ENERGY: 2779200 726.8894 2073.7589 1917.9564 112.6038 -207164.3919 18263.7700 0.0000 0.0000 34060.6647 -150008.7488 297.4603 -184069.4135 -149917.3370 297.8072 142.5788 179.2187 556532.2651 19.0044 19.1306 PRESSURE: 2779400 31.1363 -9.02169 203.387 -9.02276 28.8546 -203.113 203.387 -203.113 -257.131 GPRESSURE: 2779400 54.5366 -108.376 202.039 6.19007 104.605 -139.261 94.8504 -149.057 -260.247 PRESSAVG: 2779400 -69.4115 -63.4858 17.4561 -63.4858 21.6812 -1.70695 17.4562 -1.70682 -0.833751 GPRESSAVG: 2779400 -70.1191 -65.0005 19.1157 -62.0942 22.2426 -2.32141 16.8632 -2.57142 -0.545889 TIMING: 2779400 CPU: 8287.61, 0.00296744/step Wall: 8287.61, 0.00296744/step, 1.83041 hours remaining, 207.691406 MB of memory in use. ENERGY: 2779400 735.5910 2138.6947 1931.8838 99.4285 -206719.3600 17819.1952 0.0000 0.0000 33911.4234 -150083.1434 296.1569 -183994.5668 -149988.8217 296.4445 -65.7132 -33.7019 556885.2775 -16.1880 -16.1408 PRESSURE: 2779600 54.1309 -67.6546 89.9625 -67.6557 72.5611 41.2018 89.9629 41.2038 -78.7452 GPRESSURE: 2779600 8.43946 -30.1243 15.714 -75.341 189.163 66.8689 107.365 19.8921 -52.7172 PRESSAVG: 2779600 -3.59113 -66.1313 -12.3267 -66.1314 63.768 12.4415 -12.3268 12.4415 -13.4495 GPRESSAVG: 2779600 -3.83078 -65.8283 -12.4628 -66.7495 63.2963 13.0497 -14.0222 13.7725 -12.7893 TIMING: 2779600 CPU: 8288.2, 0.00294857/step Wall: 8288.2, 0.00294857/step, 1.81861 hours remaining, 207.691406 MB of memory in use. ENERGY: 2779600 754.9261 2125.1533 1926.5030 111.4024 -206347.8583 17744.1446 0.0000 0.0000 33707.3448 -149978.3842 294.3746 -183685.7289 -149883.2821 297.2754 15.9823 48.2952 555885.3818 15.5758 15.5587 PRESSURE: 2779800 -111.976 68.3806 97.23 68.3812 -162.515 -9.29373 97.2303 -9.29393 131.537 GPRESSURE: 2779800 -38.4534 -18.537 91.4792 76.8012 -115.335 -12.0135 113.906 -29.6455 120.424 PRESSAVG: 2779800 -7.05345 -34.354 8.91801 -34.3538 47.47 -47.7325 8.91797 -47.7326 -37.8423 GPRESSAVG: 2779800 -5.79122 -33.9925 6.53439 -34.0176 47.0582 -47.504 11.1063 -48.8433 -38.7795 TIMING: 2779800 CPU: 8288.79, 0.00295288/step Wall: 8288.79, 0.00295288/step, 1.8211 hours remaining, 207.691406 MB of memory in use. ENERGY: 2779800 752.1933 2049.9197 1928.8604 108.0458 -206568.0828 17844.7212 0.0000 0.0000 33961.7461 -149922.5963 296.5964 -183884.3424 -149821.8247 297.3147 -47.6511 -11.1212 557334.3030 0.8581 0.8292 PRESSURE: 2780000 -203.431 -104.249 272.012 -104.249 96.7623 24.363 272.012 24.3624 -62.4113 GPRESSURE: 2780000 -134.92 -142.207 252.196 -107.251 115.157 26.5473 179.802 49.3377 -43.2996 PRESSAVG: 2780000 -24.8812 -35.3594 30.6693 -35.3593 30.8556 -44.7162 30.6692 -44.7163 -11.3131 GPRESSAVG: 2780000 -25.837 -37.6602 33.3806 -35.9556 32.6374 -45.4904 29.6153 -44.4246 -12.3892 TIMING: 2780000 CPU: 8289.38, 0.00294421/step Wall: 8289.38, 0.00294421/step, 1.8156 hours remaining, 207.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2780000 755.9515 2122.2809 1938.2446 115.1969 -206562.8190 17744.1094 0.0000 0.0000 34203.1933 -149683.8424 298.7050 -183887.0357 -149590.7250 297.2347 -56.3602 -21.0206 557175.1952 -1.7796 -1.8629 PRESSURE: 2780200 142.07 95.0598 -40.3165 95.0592 120.347 42.266 -40.3174 42.2661 22.7176 GPRESSURE: 2780200 187.46 112.739 -53.3021 18.0425 146.796 66.2185 -85.0288 65.0034 32.4902 PRESSAVG: 2780200 -14.2202 -23.0003 44.8245 -23.0002 12.9189 -8.8929 44.8244 -8.89293 17.0137 GPRESSAVG: 2780200 -14.9349 -21.3938 43.573 -23.5264 11.1604 -7.51822 45.868 -9.30826 18.7465 TIMING: 2780200 CPU: 8289.97, 0.00294581/step Wall: 8289.97, 0.00294581/step, 1.81642 hours remaining, 207.691406 MB of memory in use. ENERGY: 2780200 741.9956 2100.6156 1974.9290 116.7574 -206489.0312 17930.5071 0.0000 0.0000 33996.5131 -149627.7134 296.9000 -183624.2265 -149533.3941 297.6014 95.0448 122.2490 557193.3337 5.2375 4.9907 LDB: ============= START OF LOAD BALANCING ============== 8293.51 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8293.51 LDB: =============== DONE WITH MIGRATION ================ 8293.51 LDB: ============= START OF LOAD BALANCING ============== 8293.81 LDB: Largest compute 4773 load 0.026252 is 22.2% of average load 0.118367 LDB: Average compute 0.001740 is 1.5% of average load 0.118367 LDB: TIME 8293.81 LOAD: AVG 0.118367 MAX 0.2063 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.465 MB LDB: TIME 8293.81 LOAD: AVG 0.118367 MAX 0.2063 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.465 MB LDB: TIME 8293.81 LOAD: AVG 0.118367 MAX 0.2063 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.465 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8293.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8293.82 PRESSURE: 2780400 21.3302 109.821 -5.81932 109.82 195.687 -58.4193 -5.81804 -58.4208 28.8817 GPRESSURE: 2780400 74.6335 97.538 31.8344 58.1478 192.563 -68.1615 14.1635 -9.40363 63.6631 PRESSAVG: 2780400 23.2779 -13.2814 -19.938 -13.2814 1.75835 50.188 -19.9379 50.1879 -58.7535 GPRESSAVG: 2780400 23.9974 -14.1535 -19.9764 -13.8323 2.30822 48.2476 -19.762 52.1777 -59.5899 TIMING: 2780400 CPU: 8290.57, 0.00301719/step Wall: 8290.57, 0.00301719/step, 1.86026 hours remaining, 206.464844 MB of memory in use. ENERGY: 2780400 758.2590 2102.7406 1949.4275 120.5757 -206850.7169 18072.8185 0.0000 0.0000 34255.6882 -149591.2075 299.1634 -183846.8957 -149494.8777 298.5933 81.9661 110.2867 557866.9828 -11.2391 -11.0948 PRESSURE: 2780600 95.2094 -25.8781 -79.5277 -25.8785 347.862 61.4138 -79.5277 61.4149 -77.1833 GPRESSURE: 2780600 117.988 -45.2717 -148.871 47.6677 381.278 37.5495 19.4976 66.1193 -46.3245 PRESSAVG: 2780600 -5.8607 -55.3193 31.5258 -55.3193 38.6276 42.1084 31.5257 42.1084 -22.6461 GPRESSAVG: 2780600 -6.89412 -56.4645 31.4283 -53.919 39.3939 42.19 33.6189 43.5214 -22.552 TIMING: 2780600 CPU: 8291.16, 0.00295891/step Wall: 8291.16, 0.00295891/step, 1.82417 hours remaining, 206.464844 MB of memory in use. ENERGY: 2780600 781.0313 2073.0966 1955.9184 110.2418 -207188.2321 18362.6309 0.0000 0.0000 34205.5187 -149699.7944 298.7253 -183905.3131 -149609.1796 298.1966 121.9626 150.9803 557598.7274 3.3736 3.3159 PRESSURE: 2780800 -94.9596 79.4889 -23.3319 79.4889 -157.747 -17.4129 -23.3325 -17.4136 131.778 GPRESSURE: 2780800 -67.2181 74.7273 -56.7371 10.3538 -78.4749 17.6053 15.6065 -92.4536 106.308 PRESSAVG: 2780800 43.1064 15.4954 -64.3263 15.4955 -47.8351 34.2226 -64.3263 34.2226 20.1238 GPRESSAVG: 2780800 43.1592 19.514 -63.3609 12.6719 -48.3564 35.0005 -66.9282 30.0392 20.9629 TIMING: 2780800 CPU: 8291.76, 0.00298369/step Wall: 8291.76, 0.00298369/step, 1.83928 hours remaining, 206.464844 MB of memory in use. ENERGY: 2780800 738.2842 2128.8692 1933.1782 115.0463 -206856.3841 17999.9103 0.0000 0.0000 34241.9079 -149699.1881 299.0431 -183941.0960 -149600.3207 298.2392 -40.3097 -13.1285 557677.1963 5.1317 5.2552 PRESSURE: 2781000 -364.399 40.0102 -34.9012 40.0101 -359.844 -13.6 -34.9019 -13.5995 -185.673 GPRESSURE: 2781000 -319.818 40.8762 0.313829 70.7604 -306.161 -29.319 10.2877 -73.4559 -187.979 PRESSAVG: 2781000 -6.06264 -4.44081 -34.4178 -4.44087 -31.8936 -37.3164 -34.4179 -37.3165 34.5664 GPRESSAVG: 2781000 -6.0462 -6.30844 -33.1084 -1.31786 -31.4879 -37.2506 -33.6754 -35.8149 33.7936 TIMING: 2781000 CPU: 8292.35, 0.00297422/step Wall: 8292.35, 0.00297422/step, 1.83327 hours remaining, 206.464844 MB of memory in use. ENERGY: 2781000 787.6612 2077.3168 1923.3668 117.7264 -206586.5307 17656.9507 0.0000 0.0000 34205.1698 -149818.3390 298.7223 -184023.5088 -149715.7720 297.7217 -303.3055 -271.3194 557935.7143 -1.1299 -1.2468 PRESSURE: 2781200 -168.179 18.2361 317.136 18.2362 -108.977 -10.4553 317.136 -10.4554 -508.848 GPRESSURE: 2781200 -164.954 1.71394 244.629 -49.1613 -109.306 -47.2124 362.046 76.4857 -427.196 PRESSAVG: 2781200 24.8669 -28.81 41.5864 -28.8101 -52.1285 -17.2297 41.5864 -17.2295 22.3991 GPRESSAVG: 2781200 25.537 -29.2176 41.0342 -29.4932 -53.1186 -16.5355 39.907 -17.0329 23.076 TIMING: 2781200 CPU: 8292.94, 0.00295451/step Wall: 8292.94, 0.00295451/step, 1.82096 hours remaining, 206.464844 MB of memory in use. ENERGY: 2781200 780.4802 2028.8287 1923.0658 120.7804 -206340.9243 17607.7769 0.0000 0.0000 34113.2388 -149766.7535 297.9194 -183879.9923 -149660.8839 297.8072 -262.0010 -233.8185 558654.3599 -1.6209 -1.5019 PRESSURE: 2781400 -41.9414 -35.1611 -105.855 -35.1612 263.566 8.55024 -105.854 8.55034 -244.813 GPRESSURE: 2781400 30.3711 -71.0419 -90.5891 -2.72068 222.702 -26.7142 -84.4642 122.215 -189.812 PRESSAVG: 2781400 40.9874 -6.27533 41.0143 -6.2753 -0.43922 37.3912 41.0144 37.3912 -7.43968 GPRESSAVG: 2781400 41.1812 -7.62638 40.152 -6.91921 -0.839098 37.6904 40.8829 40.0601 -7.49485 TIMING: 2781400 CPU: 8293.53, 0.00294519/step Wall: 8293.53, 0.00294519/step, 1.81506 hours remaining, 206.464844 MB of memory in use. ENERGY: 2781400 770.0581 2077.7514 1940.7430 121.4035 -206941.7377 18002.5830 0.0000 0.0000 34259.2050 -149769.9935 299.1942 -184029.1986 -149669.2322 297.0493 -7.7293 21.0871 557024.0656 11.0362 10.9491 PRESSURE: 2781600 405.33 133.072 -25.8291 133.073 121.372 131.656 -25.8296 131.654 5.30312 GPRESSURE: 2781600 408.666 157.737 9.15733 92.9741 186.689 98.6693 -19.4483 108.553 22.4774 PRESSAVG: 2781600 39.8341 46.8531 17.0459 46.8531 -0.410464 -15.6311 17.046 -15.6311 -52.1161 GPRESSAVG: 2781600 39.0724 49.0161 17.4614 46.5496 0.942974 -16.6297 18.3871 -16.7253 -52.8306 TIMING: 2781600 CPU: 8294.12, 0.00293759/step Wall: 8294.12, 0.00293759/step, 1.81021 hours remaining, 206.464844 MB of memory in use. ENERGY: 2781600 750.2383 2129.9559 1908.1607 110.7126 -206865.2180 18242.9819 0.0000 0.0000 34007.4118 -149715.7568 296.9952 -183723.1685 -149623.3302 297.6421 177.3350 205.9441 556316.6942 -4.2308 -4.2718 PRESSURE: 2781800 9.60613 -131.405 146.325 -131.406 -164.501 -144.58 146.325 -144.579 -21.1125 GPRESSURE: 2781800 36.0554 -124.101 211.31 -112.495 -115.139 -151.427 117.79 -204.967 0.857911 PRESSAVG: 2781800 -9.60996 73.0116 6.41136 73.0117 5.96112 -2.51185 6.41139 -2.51207 33.1463 GPRESSAVG: 2781800 -9.15975 70.6665 7.72817 74.9365 5.00536 -1.85672 4.45172 -1.35809 33.5475 TIMING: 2781800 CPU: 8294.71, 0.00294444/step Wall: 8294.71, 0.00294444/step, 1.81427 hours remaining, 206.464844 MB of memory in use. ENERGY: 2781800 790.8652 2055.0150 1936.8504 108.4223 -206475.5993 17843.0171 0.0000 0.0000 34144.6647 -149596.7645 298.1938 -183741.4292 -149502.0572 297.9198 -58.6690 -26.0752 556785.4719 9.8325 9.7977 PRESSURE: 2782000 26.9717 -177.816 58.7183 -177.816 -38.2581 262.534 58.7179 262.535 -131.495 GPRESSURE: 2782000 67.0767 -204.169 47.7133 -254.95 -39.6942 207.34 73.9183 294.49 -68.8139 PRESSAVG: 2782000 49.7573 -6.98823 6.95384 -6.98827 -30.3095 51.2317 6.95381 51.2318 -21.6052 GPRESSAVG: 2782000 50.1425 -6.11861 3.96493 -6.55793 -30.0562 50.3986 8.56496 49.4096 -22.6067 TIMING: 2782000 CPU: 8295.3, 0.00293338/step Wall: 8295.3, 0.00293338/step, 1.80729 hours remaining, 206.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2782000 732.0090 2066.5307 1933.5458 111.7389 -206327.9917 17594.7220 0.0000 0.0000 34336.8832 -149552.5620 299.8725 -183889.4452 -149461.2219 298.8934 -47.5938 -13.8105 556002.2431 -0.7191 -0.8401 PRESSURE: 2782200 -119.227 -51.0749 101.956 -51.075 -33.5835 -103.823 101.955 -103.821 1.12204 GPRESSURE: 2782200 -84.9731 -98.8442 167.045 -24.4347 -25.2894 -107.95 77.0935 -27.1835 58.4013 PRESSAVG: 2782200 10.8117 -25.06 17.5766 -25.0601 -29.3314 51.5379 17.5764 51.5379 34.2376 GPRESSAVG: 2782200 9.96526 -25.7186 18.9152 -26.5293 -29.5018 52.2109 17.6789 51.3909 35.3443 TIMING: 2782200 CPU: 8295.89, 0.00295184/step Wall: 8295.89, 0.00295184/step, 1.8185 hours remaining, 206.464844 MB of memory in use. ENERGY: 2782200 755.2077 2118.7846 1932.7137 110.8561 -206655.2436 17804.1298 0.0000 0.0000 34261.4838 -149672.0679 299.2141 -183933.5517 -149581.3386 298.7317 -50.5627 -17.2871 555715.4058 5.2393 5.2692 PRESSURE: 2782400 2.67901 55.6551 -38.2132 55.6545 -34.5647 58.5286 -38.212 58.5287 -1.37763 GPRESSURE: 2782400 25.6339 51.1453 17.3127 46.3771 0.634512 25.1723 -86.8756 167.045 30.3642 PRESSAVG: 2782400 26.2825 27.0965 41.201 27.0965 -13.3871 -17.6196 41.201 -17.6197 -11.2693 GPRESSAVG: 2782400 26.6531 26.9686 42.3756 27.0601 -13.781 -17.3744 39.8717 -17.2233 -10.7625 TIMING: 2782400 CPU: 8296.48, 0.00296182/step Wall: 8296.48, 0.00296182/step, 1.82448 hours remaining, 206.464844 MB of memory in use. ENERGY: 2782400 746.6808 2065.0748 1949.7984 105.2997 -206358.9073 17746.3122 0.0000 0.0000 34110.1763 -149635.5650 297.8927 -183745.7413 -149540.6929 298.0624 -11.0878 18.8776 556510.9733 0.5420 0.7032 PRESSURE: 2782600 -217.573 -56.1214 -20.3853 -56.1211 123.915 -164.336 -20.3864 -164.336 -194.117 GPRESSURE: 2782600 -200.091 -71.4532 -12.5418 -85.6299 136.65 -73.0395 -62.9607 -276.254 -134.99 PRESSAVG: 2782600 -2.1029 -51.9313 -15.1383 -51.9313 25.8586 5.51888 -15.1382 5.51902 -24.4178 GPRESSAVG: 2782600 -1.86409 -50.2269 -16.338 -51.5467 24.5825 6.88676 -13.7431 5.05887 -23.7542 TIMING: 2782600 CPU: 8297.07, 0.002949/step Wall: 8297.07, 0.002949/step, 1.81642 hours remaining, 206.464844 MB of memory in use. ENERGY: 2782600 700.6296 2062.0368 1940.9409 108.8879 -206349.4027 17628.3659 0.0000 0.0000 34328.1812 -149580.3603 299.7965 -183908.5416 -149483.8670 297.9621 -95.9249 -66.1434 558502.9593 -0.2207 -0.3453 PRESSURE: 2782800 -174.184 37.3325 -141.241 37.3315 95.8585 89.627 -141.24 89.6258 -104.864 GPRESSURE: 2782800 -138.244 -21.3967 -59.4483 17.3973 105.221 14.2403 -261.96 105.263 -52.2409 PRESSAVG: 2782800 -18.7486 10.3347 -6.80025 10.3347 85.7624 0.887438 -6.80022 0.887538 -81.7267 GPRESSAVG: 2782800 -19.1123 7.38965 -7.23343 12.6268 86.2187 -1.40597 -8.2828 4.04768 -82.304 TIMING: 2782800 CPU: 8297.66, 0.00294547/step Wall: 8297.66, 0.00294547/step, 1.81408 hours remaining, 206.464844 MB of memory in use. ENERGY: 2782800 745.1151 2117.5898 1917.5385 113.9708 -206607.2830 17795.4184 0.0000 0.0000 34315.2680 -149602.3824 299.6838 -183917.6504 -149515.0363 299.1060 -61.0629 -28.4211 557710.8397 -4.9043 -5.0659 PRESSURE: 2783000 1.48715 176.862 16.9396 176.861 54.2102 146.983 16.9391 146.984 -294.636 GPRESSURE: 2783000 62.4194 115.867 -40.2281 163.326 51.2268 77.5795 63.0591 157.919 -257.15 PRESSAVG: 2783000 -31.1399 12.5037 -63.5376 12.5037 72.4997 36.4026 -63.5377 36.4027 -58.3999 GPRESSAVG: 2783000 -30.3956 15.3169 -63.3044 8.83652 72.3663 35.1501 -64.0735 35.2414 -58.8031 TIMING: 2783000 CPU: 8298.25, 0.00294403/step Wall: 8298.25, 0.00294403/step, 1.81303 hours remaining, 206.464844 MB of memory in use. ENERGY: 2783000 753.4706 2111.6483 1947.5987 100.0121 -206488.8487 17746.5106 0.0000 0.0000 34352.7600 -149476.8483 300.0112 -183829.6082 -149383.5942 299.3473 -79.6461 -47.8345 557197.8902 -5.6800 -5.6108 PRESSURE: 2783200 -172.702 36.0385 162.328 36.0381 -131.589 -84.3774 162.328 -84.3769 -154.819 GPRESSURE: 2783200 -89.0774 46.0513 168.296 73.6553 -70.6506 -118.587 105.301 -48.8704 -202.881 PRESSAVG: 2783200 -15.3355 12.0379 8.04682 12.0379 62.0114 23.3915 8.04685 23.3915 -46.9992 GPRESSAVG: 2783200 -16.4175 13.8782 7.15448 12.8462 62.5444 26.0454 9.74034 23.0807 -46.4673 TIMING: 2783200 CPU: 8298.84, 0.00295471/step Wall: 8298.84, 0.00295471/step, 1.81944 hours remaining, 206.464844 MB of memory in use. ENERGY: 2783200 759.8755 2095.7980 1963.0563 111.5680 -206361.7198 17772.2055 0.0000 0.0000 34167.8859 -149491.3305 298.3966 -183659.2165 -149394.5713 298.4866 -153.0369 -120.8696 557778.0299 -0.1077 -0.1135 PRESSURE: 2783400 -172.61 -1.70248 0.168442 -1.70226 -188.578 39.7532 0.168601 39.7533 -208.425 GPRESSURE: 2783400 -105.036 26.6021 42.0031 50.1843 -239.23 -21.9776 0.427557 43.3777 -126.631 PRESSAVG: 2783400 52.8754 -29.269 55.2619 -29.269 -38.2999 6.41017 55.2619 6.41024 0.780254 GPRESSAVG: 2783400 52.9722 -31.9102 56.4823 -27.6682 -38.3439 3.99546 56.8164 6.18935 1.17924 TIMING: 2783400 CPU: 8299.43, 0.00296941/step Wall: 8299.43, 0.00296941/step, 1.82833 hours remaining, 206.464844 MB of memory in use. ENERGY: 2783400 753.7397 2119.4886 1960.4612 107.9304 -205821.4594 17492.0208 0.0000 0.0000 34201.5059 -149186.3128 298.6903 -183387.8187 -149090.9127 299.7635 -189.8710 -156.9655 557467.9686 5.1186 5.2692 PRESSURE: 2783600 57.852 214.657 111.214 214.657 -155.309 -11.2772 111.213 -11.2773 -57.7752 GPRESSURE: 2783600 73.2134 211.038 138.953 153.62 -88.2212 -31.8159 121.098 -23.6386 -26.2786 PRESSAVG: 2783600 8.53229 55.2569 50.1242 55.2569 -51.3546 10.9342 50.1241 10.9343 18.5292 GPRESSAVG: 2783600 8.87621 56.0742 50.6537 55.1974 -49.9508 10.8814 48.4984 11.2411 16.7339 TIMING: 2783600 CPU: 8300.03, 0.00299345/step Wall: 8300.03, 0.00299345/step, 1.84297 hours remaining, 206.464844 MB of memory in use. ENERGY: 2783600 742.4103 2111.1698 1975.8397 111.9487 -205933.4622 17606.4197 0.0000 0.0000 34260.8319 -149124.8420 299.2084 -183385.6739 -149028.1020 299.8558 -51.7442 -13.7621 557401.2601 -8.0977 -8.1136 PRESSURE: 2783800 78.444 94.773 -54.9821 94.7734 -312.793 125.008 -54.9818 125.006 -189.495 GPRESSURE: 2783800 67.7114 130.469 -84.0473 33.1287 -204.39 185.357 -60.828 131.146 -195.662 PRESSAVG: 2783800 64.992 -5.91441 3.91901 -5.91439 -53.2672 -20.8693 3.91912 -20.8692 -19.7396 GPRESSAVG: 2783800 64.5481 -5.76557 3.32138 -6.54085 -53.0089 -19.974 3.67943 -21.5304 -19.4133 TIMING: 2783800 CPU: 8300.63, 0.00301863/step Wall: 8300.63, 0.00301863/step, 1.8583 hours remaining, 206.464844 MB of memory in use. ENERGY: 2783800 745.9466 2112.7788 1939.5343 113.6560 -206210.5907 17662.7005 0.0000 0.0000 34344.9930 -149290.9815 299.9434 -183635.9745 -149194.4617 298.8529 -141.2815 -110.7802 558669.0670 -2.6716 -2.6247 PRESSURE: 2784000 -2.73734 230.7 -84.1228 230.7 -163.595 139.109 -84.1227 139.108 -64.1378 GPRESSURE: 2784000 69.4485 89.8591 -122.875 178.66 -129.066 169.713 -60.4259 128.227 -80.8152 PRESSAVG: 2784000 33.1418 41.4093 -18.6404 41.4093 5.93165 3.83266 -18.6404 3.83263 -4.96646 GPRESSAVG: 2784000 32.5035 41.0545 -19.2008 41.1034 4.22237 8.40364 -19.7076 2.13388 -3.26611 TIMING: 2784000 CPU: 8301.23, 0.00296175/step Wall: 8301.23, 0.00296175/step, 1.82312 hours remaining, 206.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2784000 758.1469 2084.5441 1948.5320 108.8046 -206126.2311 17743.5729 0.0000 0.0000 34428.5691 -149054.0615 300.6733 -183482.6307 -148952.8635 299.7433 -76.8235 -46.8108 559952.6837 11.3690 11.1532 PRESSURE: 2784200 -68.2534 -95.1645 34.3232 -95.1635 75.9786 27.9924 34.3233 27.9928 -375.481 GPRESSURE: 2784200 -48.0483 -58.8826 216.384 -95.5618 118.025 64.1268 -104.306 44.8558 -330.309 PRESSAVG: 2784200 122.77 -32.8714 -44.8601 -32.8712 10.2941 14.9242 -44.8601 14.9241 -98.565 GPRESSAVG: 2784200 123.892 -32.4412 -44.222 -32.4644 10.3098 12.2006 -43.6299 16.1255 -99.2411 TIMING: 2784200 CPU: 8301.82, 0.00299401/step Wall: 8301.82, 0.00299401/step, 1.84281 hours remaining, 206.464844 MB of memory in use. ENERGY: 2784200 744.1056 2152.6853 1941.4198 111.8938 -205695.6526 17656.5960 0.0000 0.0000 34088.5172 -149000.4349 297.7035 -183088.9521 -148905.0026 299.1850 -122.5853 -86.7773 560948.6354 11.4996 11.6536 LDB: ============= START OF LOAD BALANCING ============== 8305.37 LDB: ============== END OF LOAD BALANCING =============== 8305.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8305.37 LDB: ============= START OF LOAD BALANCING ============== 8305.67 LDB: Largest compute 4773 load 0.028637 is 24.2% of average load 0.118322 LDB: Average compute 0.001741 is 1.5% of average load 0.118322 LDB: TIME 8305.67 LOAD: AVG 0.118322 MAX 0.204428 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.723 MB LDB: TIME 8305.67 LOAD: AVG 0.118322 MAX 0.204428 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.723 MB LDB: TIME 8305.67 LOAD: AVG 0.118322 MAX 0.204428 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.723 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8305.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8305.68 PRESSURE: 2784400 -55.5551 76.357 -40.4701 76.3584 203.205 37.9186 -40.471 37.9192 208.919 GPRESSURE: 2784400 -42.4874 182.084 -79.8542 38.9137 269.807 39.9343 21.8198 -28.1541 231.844 PRESSAVG: 2784400 -27.2353 -33.5705 38.9574 -33.5705 13.3316 -39.9724 38.9575 -39.9724 20.6839 GPRESSAVG: 2784400 -28.0647 -33.3726 40.3743 -35.4574 13.3356 -42.9381 37.7667 -39.2614 21.19 TIMING: 2784400 CPU: 8302.43, 0.00302111/step Wall: 8302.43, 0.00302111/step, 1.85933 hours remaining, 207.039062 MB of memory in use. ENERGY: 2784400 730.5425 2126.9068 1952.8275 122.0881 -206234.0777 17929.3178 0.0000 0.0000 34246.4303 -149125.9647 299.0826 -183372.3951 -149036.1044 299.2778 118.8564 153.0546 557590.5207 2.2600 2.1536 PRESSURE: 2784600 125.957 29.5774 151.431 29.5768 -74.0075 -95.7397 151.431 -95.7395 69.5654 GPRESSURE: 2784600 158.072 -14.7524 169.155 127.12 -23.5428 -60.878 120.949 -213.777 97.6946 PRESSAVG: 2784600 -64.525 -1.88632 12.0403 -1.88635 40.3356 -7.64498 12.0403 -7.64487 60.1846 GPRESSAVG: 2784600 -64.2323 -2.16573 9.93855 1.17771 39.3321 -5.23731 13.2591 -7.89948 60.1774 TIMING: 2784600 CPU: 8303.03, 0.00299146/step Wall: 8303.03, 0.00299146/step, 1.84091 hours remaining, 207.296875 MB of memory in use. ENERGY: 2784600 752.5747 2117.2202 1950.6739 115.8543 -206236.1498 17861.2300 0.0000 0.0000 34220.8746 -149217.7221 298.8594 -183438.5966 -149114.0810 299.3285 40.5051 77.4079 557529.2196 11.9984 11.7591 PRESSURE: 2784800 -6.43455 -28.8761 19.3424 -28.8755 -151.91 44.9013 19.343 44.9019 7.31535 GPRESSURE: 2784800 26.2058 -115.677 29.6016 59.1663 -202.745 7.30727 26.7711 96.1329 111.732 PRESSAVG: 2784800 30.3463 -13.7784 13.1884 -13.7784 20.1411 -50.4588 13.1884 -50.4586 -74.4274 GPRESSAVG: 2784800 29.5967 -14.1527 15.0146 -14.017 21.2954 -49.9259 12.3859 -50.2816 -75.4281 TIMING: 2784800 CPU: 8303.62, 0.00296614/step Wall: 8303.62, 0.00296614/step, 1.82517 hours remaining, 207.371094 MB of memory in use. ENERGY: 2784800 763.5160 2091.6846 1948.7930 105.9186 -206229.6790 17714.7077 0.0000 0.0000 34467.9138 -149137.1454 301.0169 -183605.0592 -149047.8839 300.0122 -50.3431 -21.6025 556769.5834 -7.9800 -8.1787 PRESSURE: 2785000 -219.751 119.95 -46.0785 119.95 -258.781 47.1899 -46.0788 47.1904 -117.536 GPRESSURE: 2785000 -163.016 142.57 -111.616 93.3358 -195.241 34.6635 -22.2205 48.5456 -120.273 PRESSAVG: 2785000 -40.2858 -6.93866 27.426 -6.93869 49.8393 -49.9162 27.4259 -49.9163 16.1787 GPRESSAVG: 2785000 -40.0455 -6.26866 25.9937 -9.10524 48.7244 -50.2732 27.6758 -48.561 17.7996 TIMING: 2785000 CPU: 8304.21, 0.00296086/step Wall: 8304.21, 0.00296086/step, 1.82175 hours remaining, 207.371094 MB of memory in use. ENERGY: 2785000 756.6520 2116.1066 1930.2750 109.3489 -205809.5133 17464.9820 0.0000 0.0000 34367.9149 -149064.2339 300.1435 -183432.1488 -148963.4042 299.5279 -198.6891 -159.5099 557382.1229 8.5774 8.8262 PRESSURE: 2785200 278.652 -58.9006 51.5373 -58.9013 51.983 25.6567 51.5364 25.6558 70.2709 GPRESSURE: 2785200 279.341 -20.5549 69.4429 -40.4866 96.9447 -31.1146 120.656 27.9732 139.848 PRESSAVG: 2785200 8.88191 11.5719 58.2977 11.5719 23.8989 25.2708 58.2976 25.2708 -14.0465 GPRESSAVG: 2785200 8.69344 10.8958 59.1849 14.9697 25.4284 25.1839 58.3508 22.7753 -14.896 TIMING: 2785200 CPU: 8304.81, 0.00297357/step Wall: 8304.81, 0.00297357/step, 1.82941 hours remaining, 207.574219 MB of memory in use. ENERGY: 2785200 749.2481 2031.0398 1932.3166 121.5983 -206164.1503 17930.6031 0.0000 0.0000 34367.5293 -149031.8151 300.1402 -183399.3444 -148945.4332 299.7039 133.6352 172.0444 556800.1850 6.2448 6.4086 PRESSURE: 2785400 -284.69 5.61113 -109.509 5.61146 129.817 -109.769 -109.508 -109.771 -196.201 GPRESSURE: 2785400 -263.089 -70.8633 -181.08 88.4712 165.601 -137.996 -15.5316 -113.941 -156.384 PRESSAVG: 2785400 6.55633 -19.2491 4.07693 -19.2492 53.7184 -2.38682 4.077 -2.38679 -102.08 GPRESSAVG: 2785400 5.67471 -17.5414 3.70522 -21.9366 52.7415 -3.13971 2.31886 -1.68332 -100.886 TIMING: 2785400 CPU: 8305.4, 0.00298837/step Wall: 8305.4, 0.00298837/step, 1.83835 hours remaining, 207.574219 MB of memory in use. ENERGY: 2785400 737.9240 2119.4241 1952.8166 102.6378 -205719.7006 17521.4577 0.0000 0.0000 34536.7927 -148748.6477 301.6184 -183285.4405 -148656.3278 300.6056 -117.0245 -84.6241 558539.1685 -13.9351 -14.1567 PRESSURE: 2785600 -90.165 -64.8297 -112.138 -64.8289 -97.0555 -153.89 -112.137 -153.891 147.843 GPRESSURE: 2785600 -66.2616 -17.9989 -104.222 -80.8812 -40.6656 -127.22 -132.373 -133.788 165.2 PRESSAVG: 2785600 10.4089 18.5613 5.93119 18.5613 47.1162 -64.5045 5.93115 -64.5046 -1.3397 GPRESSAVG: 2785600 11.034 17.9372 5.97019 18.3844 47.0539 -63.0219 7.16226 -61.4039 -2.08598 TIMING: 2785600 CPU: 8306, 0.00295926/step Wall: 8306, 0.00295926/step, 1.82027 hours remaining, 207.574219 MB of memory in use. ENERGY: 2785600 709.0640 2067.3502 1976.3710 120.0938 -205593.6921 17597.9751 0.0000 0.0000 34334.2491 -148788.5890 299.8495 -183122.8380 -148690.4230 300.4481 -13.1258 19.4243 557354.9772 18.7285 18.6673 PRESSURE: 2785800 -200.316 -55.5524 -59.6405 -55.5534 -181.023 121.64 -59.6381 121.638 -263.266 GPRESSURE: 2785800 -176.785 -119.21 -33.6778 -69.0463 -111.265 87.2045 -90.8488 85.4477 -253.031 PRESSAVG: 2785800 9.24611 9.80817 -60.4703 9.80815 3.83802 6.37578 -60.4703 6.3757 -17.675 GPRESSAVG: 2785800 10.4449 8.96818 -61.7571 10.771 3.51243 6.81218 -60.0879 1.49144 -18.27 TIMING: 2785800 CPU: 8306.6, 0.00299341/step Wall: 8306.6, 0.00299341/step, 1.84111 hours remaining, 207.574219 MB of memory in use. ENERGY: 2785800 788.3764 2125.8761 1930.2224 123.8526 -205955.5842 17635.2894 0.0000 0.0000 34442.0234 -148909.9439 300.7908 -183351.9673 -148818.8521 300.3112 -214.8685 -180.3605 558509.8788 -1.5303 -1.4376 PRESSURE: 2786000 226.732 -68.9705 -67.3893 -68.9713 -137.159 15.1847 -67.3885 15.1846 75.1958 GPRESSURE: 2786000 302.744 -30.1906 -84.9369 -22.6673 -104.405 -33.3357 -102.483 62.6863 69.1627 PRESSAVG: 2786000 -15.2675 29.0212 1.41745 29.021 -41.0673 19.6851 1.41734 19.6851 6.69306 GPRESSAVG: 2786000 -16.2164 30.1736 0.668823 28.2221 -39.8932 19.0227 3.37724 20.0274 6.31996 TIMING: 2786000 CPU: 8307.19, 0.00298584/step Wall: 8307.19, 0.00298584/step, 1.83629 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2786000 772.1404 2009.4493 1973.4119 119.4428 -206268.5774 17942.9070 0.0000 0.0000 34532.5362 -148918.6898 301.5812 -183451.2260 -148813.6603 300.0185 54.9230 89.1672 557312.5256 -16.5472 -16.5965 PRESSURE: 2786200 40.3387 -129.437 46.1219 -129.438 61.3057 -69.2456 46.1208 -69.2464 150.343 GPRESSURE: 2786200 86.6133 -139.377 -43.676 -153.476 73.3819 8.52958 28.9095 -201.826 185.001 PRESSAVG: 2786200 66.0637 2.48583 -13.165 2.48581 -39.924 -42.309 -13.165 -42.309 17.1953 GPRESSAVG: 2786200 66.6127 2.21673 -11.7473 3.50098 -42.0358 -42.0264 -15.7284 -42.1193 18.4565 TIMING: 2786200 CPU: 8307.79, 0.00296826/step Wall: 8307.79, 0.00296826/step, 1.82532 hours remaining, 207.574219 MB of memory in use. ENERGY: 2786200 730.4493 2112.8964 1934.1339 119.5933 -206091.5046 17889.0124 0.0000 0.0000 34296.9252 -149008.4941 299.5236 -183305.4193 -148906.0798 300.4473 83.9956 114.9989 557528.8491 14.4450 14.3445 PRESSURE: 2786400 -14.6175 -136.2 37.5427 -136.2 366.626 -293.125 37.5442 -293.125 225.78 GPRESSURE: 2786400 16.8453 -122.733 19.4087 -186.372 395.413 -239.476 75.9741 -191.444 269.719 PRESSAVG: 2786400 20.7611 -48.4601 -35.7814 -48.46 22.3106 0.637058 -35.7814 0.637023 -21.4105 GPRESSAVG: 2786400 21.2153 -47.8743 -36.2323 -48.1115 22.8112 0.03183 -34.7285 1.99065 -22.2903 TIMING: 2786400 CPU: 8308.38, 0.00296613/step Wall: 8308.38, 0.00296613/step, 1.82384 hours remaining, 207.574219 MB of memory in use. ENERGY: 2786400 739.0641 2104.2934 1915.5591 120.3889 -206412.4076 17958.8426 0.0000 0.0000 34484.9153 -149089.3442 301.1653 -183574.2594 -148984.0918 299.8197 192.5960 227.3260 555750.4758 7.2204 7.2454 PRESSURE: 2786600 -52.6011 169.609 119.73 169.609 -147.683 11.7844 119.729 11.7849 41.6069 GPRESSURE: 2786600 -56.3085 199.4 102.134 122.241 -60.6739 -7.74198 99.3059 22.5401 73.3056 PRESSAVG: 2786600 -14.7507 58.3003 -3.76157 58.3002 58.351 -20.5786 -3.76169 -20.5787 -38.4636 GPRESSAVG: 2786600 -15.3619 57.618 -2.54576 56.851 59.8701 -19.4224 -2.14154 -21.2766 -38.8471 TIMING: 2786600 CPU: 8308.97, 0.00295824/step Wall: 8308.97, 0.00295824/step, 1.81883 hours remaining, 207.574219 MB of memory in use. ENERGY: 2786600 706.3220 2193.8482 1924.7829 119.2222 -205549.3893 17498.0015 0.0000 0.0000 34229.6078 -148877.6047 298.9357 -183107.2125 -148787.3372 299.7336 -52.8926 -14.5590 557733.1701 1.7122 1.8870 PRESSURE: 2786800 -131.48 -21.259 19.8854 -21.2577 98.3916 5.36855 19.8847 5.36862 140.63 GPRESSURE: 2786800 -92.0053 -16.9601 -39.9988 -14.9295 143.138 22.8006 27.6272 -20.0603 157.161 PRESSAVG: 2786800 -72.3945 28.0534 2.15195 28.0533 16.8164 26.6453 2.15192 26.6452 31.7571 GPRESSAVG: 2786800 -72.2562 30.106 0.27054 27.595 14.569 26.6975 1.38148 26.3067 33.8222 TIMING: 2786800 CPU: 8309.57, 0.00299741/step Wall: 8309.57, 0.00299741/step, 1.84274 hours remaining, 207.574219 MB of memory in use. ENERGY: 2786800 727.6310 2078.2557 1972.6102 128.9222 -205867.6529 17571.1749 0.0000 0.0000 34455.0060 -148934.0530 300.9041 -183389.0589 -148843.5591 300.3322 35.8474 69.4312 557330.2377 -7.9403 -7.9550 PRESSURE: 2787000 -517.994 -83.8195 -64.3258 -83.8186 -141.999 115.704 -64.3242 115.705 -67.1634 GPRESSURE: 2787000 -465.462 -64.9762 59.55 -127.17 -103.995 171.558 -62.2302 42.1784 -63.8888 PRESSAVG: 2787000 -59.0682 -29.0315 -1.09967 -29.0316 -4.2811 52.0527 -1.09956 52.0527 2.74936 GPRESSAVG: 2787000 -58.5667 -29.6035 0.554495 -28.4583 -3.35187 51.2687 -2.91515 53.3082 1.14358 TIMING: 2787000 CPU: 8310.17, 0.00298087/step Wall: 8310.17, 0.00298087/step, 1.83241 hours remaining, 207.574219 MB of memory in use. ENERGY: 2787000 722.3315 2090.5616 1920.4441 119.5059 -205549.4481 17423.5273 0.0000 0.0000 34375.5057 -148897.5721 300.2098 -183273.0777 -148806.1311 300.1689 -242.3856 -211.1153 558921.4869 -20.2000 -20.2583 PRESSURE: 2787200 -84.2059 121.004 -18.8133 121.005 -263.343 -247.397 -18.8143 -247.397 -490.099 GPRESSURE: 2787200 -107.715 115.114 -24.7613 74.483 -246.449 -181.137 -39.2546 -169.23 -388.919 PRESSAVG: 2787200 -32.9679 19.8927 16.0808 19.8928 9.89955 3.36874 16.0809 3.36861 27.1564 GPRESSAVG: 2787200 -32.6005 18.6267 14.6744 20.4184 10.413 2.97533 17.2724 3.70392 25.8256 TIMING: 2787200 CPU: 8310.76, 0.00296579/step Wall: 8310.76, 0.00296579/step, 1.82297 hours remaining, 207.574219 MB of memory in use. ENERGY: 2787200 717.7504 2082.6708 1936.1752 120.7962 -205610.2536 17329.6016 0.0000 0.0000 34437.0907 -148986.1687 300.7477 -183423.2594 -148883.6254 300.4438 -279.2161 -247.6945 558269.6057 1.3627 1.2127 PRESSURE: 2787400 26.9159 -47.8263 60.323 -47.8246 -71.936 16.6465 60.3226 16.647 1.15987 GPRESSURE: 2787400 137.194 -91.2881 112.141 -41.0172 -49.2988 -50.8879 68.5745 -18.7173 -30.9636 PRESSAVG: 2787400 36.4798 -24.6954 -17.4595 -24.6954 12.9729 25.817 -17.4595 25.817 -7.11828 GPRESSAVG: 2787400 35.1007 -24.0056 -18.0803 -23.8187 13.6439 26.9502 -16.9142 23.1448 -6.56901 TIMING: 2787400 CPU: 8311.36, 0.00300817/step Wall: 8311.36, 0.00300817/step, 1.84885 hours remaining, 207.574219 MB of memory in use. ENERGY: 2787400 803.1979 2085.3941 1955.3769 115.6350 -206069.8698 17740.9589 0.0000 0.0000 34399.1070 -148970.2000 300.4160 -183369.3070 -148876.8443 300.5522 -14.6201 18.9770 557413.2218 14.1115 14.0585 PRESSURE: 2787600 246.687 -234.095 -73.1241 -234.095 197.087 -47.4179 -73.1245 -47.4176 395.917 GPRESSURE: 2787600 214.757 -259.352 -122.581 -276.591 309.409 -13.0356 28.7653 -59.3295 418.281 PRESSAVG: 2787600 21.2229 -30.9628 -17.1285 -30.9629 -2.83701 55.7662 -17.1286 55.7661 -1.76279 GPRESSAVG: 2787600 20.5977 -30.3395 -14.5949 -32.0569 -3.40601 52.46 -20.1319 59.8828 -0.940173 TIMING: 2787600 CPU: 8311.96, 0.00301344/step Wall: 8311.96, 0.00301344/step, 1.85193 hours remaining, 207.574219 MB of memory in use. ENERGY: 2787600 728.6512 2150.7208 1919.3908 108.2503 -206622.8413 18294.2024 0.0000 0.0000 34366.1920 -149055.4338 300.1285 -183421.6258 -148961.9383 299.7969 279.8970 314.1493 556855.7998 5.5410 5.4172 PRESSURE: 2787800 66.3516 148.517 -111.036 148.519 -105.145 28.4548 -111.036 28.4543 60.7154 GPRESSURE: 2787800 112.362 23.9696 -71.0356 216.723 -75.5657 -35.6193 -105.167 88.8715 92.2976 PRESSAVG: 2787800 3.04223 -23.1923 -51.4297 -23.1923 6.60101 -5.67796 -51.4296 -5.67794 -21.0249 GPRESSAVG: 2787800 3.76102 -23.6285 -53.6795 -22.3783 5.73034 -3.81919 -49.405 -6.5617 -21.634 TIMING: 2787800 CPU: 8312.56, 0.00295905/step Wall: 8312.56, 0.00295905/step, 1.81834 hours remaining, 207.574219 MB of memory in use. ENERGY: 2787800 787.7023 2108.1812 1960.5810 107.6747 -206091.9362 17863.9504 0.0000 0.0000 34188.2018 -149075.6449 298.5741 -183263.8467 -148983.0106 300.4499 7.3075 43.0312 557458.4618 -3.7939 -4.0475 PRESSURE: 2788000 52.0114 -61.8553 32.8652 -61.8546 -28.9045 108.214 32.8657 108.213 -145.275 GPRESSURE: 2788000 99.1862 -46.1872 158.131 -93.6557 24.196 41.4146 23.3238 241.474 -143.106 PRESSAVG: 2788000 -28.0971 -4.52799 -39.6129 -4.5279 -13.9813 -3.54767 -39.6129 -3.5476 37.4919 GPRESSAVG: 2788000 -28.5219 -5.18203 -39.7254 -3.88648 -14.1061 -1.92305 -37.5536 -5.42087 37.4132 TIMING: 2788000 CPU: 8313.15, 0.00295435/step Wall: 8313.15, 0.00295435/step, 1.81528 hours remaining, 207.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2788000 796.8974 2180.1953 1902.6241 106.4173 -206021.6224 17724.6655 0.0000 0.0000 34368.1092 -148942.7135 300.1452 -183310.8227 -148854.0064 299.6302 -40.7227 -6.5745 557457.3447 -1.5288 -1.7382 PRESSURE: 2788200 -187.184 -40.6787 -9.83286 -40.6797 20.6955 -10.2371 -9.834 -10.2376 60.3775 GPRESSURE: 2788200 -137.514 -75.7728 -7.30323 6.24194 53.1185 31.6156 -45.0869 9.87013 77.053 PRESSAVG: 2788200 9.20142 -10.1683 36.4843 -10.1683 -10.1809 -29.2554 36.4843 -29.2554 7.80079 GPRESSAVG: 2788200 8.75358 -10.925 37.4452 -10.274 -9.89739 -30.6607 34.9563 -27.7049 7.56566 TIMING: 2788200 CPU: 8313.74, 0.00295411/step Wall: 8313.74, 0.00295411/step, 1.81497 hours remaining, 207.574219 MB of memory in use. ENERGY: 2788200 791.6444 2059.6687 1926.6557 117.9737 -205773.2606 17745.7923 0.0000 0.0000 34211.4514 -148920.0745 298.7771 -183131.5259 -148821.4354 300.4875 -35.3703 -2.4476 557876.0237 2.2738 2.1406 LDB: ============= START OF LOAD BALANCING ============== 8317.28 LDB: ============== END OF LOAD BALANCING =============== 8317.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8317.29 LDB: ============= START OF LOAD BALANCING ============== 8317.58 LDB: Largest compute 4773 load 0.027763 is 23.5% of average load 0.118280 LDB: Average compute 0.001739 is 1.5% of average load 0.118280 LDB: TIME 8317.59 LOAD: AVG 0.11828 MAX 0.20194 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.008 MB LDB: TIME 8317.59 LOAD: AVG 0.11828 MAX 0.20194 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.039 MB LDB: TIME 8317.59 LOAD: AVG 0.11828 MAX 0.20194 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8317.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8317.59 PRESSURE: 2788400 -264.727 -34.2145 -38.1903 -34.2133 -7.87198 78.6814 -38.1907 78.6817 5.38743 GPRESSURE: 2788400 -199.725 -61.0806 -79.2864 9.83262 25.3619 73.7768 -67.8682 75.4756 15.863 PRESSAVG: 2788400 -50.2364 -23.3428 -20.2911 -23.3428 54.287 27.7335 -20.2911 27.7335 -1.57129 GPRESSAVG: 2788400 -50.084 -22.0354 -19.2376 -24.0362 54.8607 27.2978 -20.0915 26.5095 -2.11522 TIMING: 2788400 CPU: 8314.34, 0.00301979/step Wall: 8314.34, 0.00301979/step, 1.85516 hours remaining, 206.648438 MB of memory in use. ENERGY: 2788400 745.9622 2157.3435 1938.6940 108.5773 -205628.4139 17487.9137 0.0000 0.0000 34204.3885 -148985.5347 298.7154 -183189.9233 -148893.0426 300.0777 -89.0707 -52.8332 557519.0329 0.8264 0.8871 PRESSURE: 2788600 209.189 -93.6721 13.5355 -93.6732 -72.1959 -33.8614 13.5358 -33.8615 -152.136 GPRESSURE: 2788600 244.047 -52.0066 -27.8243 -88.1313 -72.4487 -64.2389 63.8088 -92.7489 -91.1482 PRESSAVG: 2788600 1.4465 -19.3526 -22.4409 -19.3526 80.1885 -22.2399 -22.4409 -22.2399 -11.8496 GPRESSAVG: 2788600 1.25823 -22.3142 -23.8152 -17.7713 79.1845 -21.4586 -22.0111 -24.1687 -10.3799 TIMING: 2788600 CPU: 8314.93, 0.00295246/step Wall: 8314.93, 0.00295246/step, 1.81363 hours remaining, 206.648438 MB of memory in use. ENERGY: 2788600 747.8849 2089.1701 1941.0173 103.3660 -206091.1767 17959.2274 0.0000 0.0000 34154.8281 -149095.6828 298.2826 -183250.5109 -148995.8306 299.6825 -5.0477 26.8168 558121.4836 23.2618 23.3543 PRESSURE: 2788800 -60.09 95.2511 -203.252 95.2508 -225.274 -188.213 -203.253 -188.212 82.832 GPRESSURE: 2788800 1.74029 90.0625 -154.746 69.5123 -205.163 -184.544 -161.396 -62.793 104.45 PRESSAVG: 2788800 64.6707 -40.57 7.11924 -40.57 -23.0142 33.2294 7.11923 33.2293 -6.25792 GPRESSAVG: 2788800 64.9591 -38.5631 7.83182 -40.8131 -22.3618 31.1474 6.34913 37.3312 -6.96105 TIMING: 2788800 CPU: 8315.53, 0.00296624/step Wall: 8315.53, 0.00296624/step, 1.82193 hours remaining, 206.648438 MB of memory in use. ENERGY: 2788800 743.6370 2081.3024 1912.0391 115.5882 -206403.7540 17720.4535 0.0000 0.0000 34582.2064 -149248.5274 302.0150 -183830.7338 -149150.0783 299.9838 -67.5108 -32.9909 556871.6936 11.7995 11.8787 PRESSURE: 2789000 -168.251 25.2389 121.175 25.2384 -23.83 89.6188 121.176 89.6184 190.051 GPRESSURE: 2789000 -166.409 139.116 108.884 -58.4705 25.0926 142.146 111.405 90.4108 241.309 PRESSAVG: 2789000 -4.55137 23.817 21.8867 23.817 -8.48276 -1.16725 21.8868 -1.1673 -1.40891 GPRESSAVG: 2789000 -4.53987 23.0617 18.8987 24.111 -8.0746 -0.323224 22.4664 -1.70807 -1.56727 TIMING: 2789000 CPU: 8316.12, 0.00296951/step Wall: 8316.12, 0.00296952/step, 1.82378 hours remaining, 206.648438 MB of memory in use. ENERGY: 2789000 724.6455 2079.8064 1932.6319 104.9171 -205923.3228 17583.9773 0.0000 0.0000 34319.2788 -149178.0658 299.7188 -183497.3446 -149081.2454 299.0920 -0.6766 33.3311 556245.2052 -4.8143 -4.7272 PRESSURE: 2789200 -136.128 -214.665 -104.67 -214.665 73.8405 187.891 -104.67 187.889 18.1173 GPRESSURE: 2789200 -97.3853 -280.724 -191.562 -277.264 104.701 168.929 -130.685 153.465 39.9791 PRESSAVG: 2789200 -56.8314 23.4127 9.81201 23.4128 31.8577 33.7616 9.81196 33.7618 13.5286 GPRESSAVG: 2789200 -58.4688 24.0445 12.8047 21.8583 31.6191 35.7734 7.23419 31.2499 14.8819 TIMING: 2789200 CPU: 8316.71, 0.00295886/step Wall: 8316.71, 0.00295886/step, 1.81707 hours remaining, 206.648438 MB of memory in use. ENERGY: 2789200 751.6335 2031.8938 1942.1552 107.5027 -205953.2163 17770.5195 0.0000 0.0000 34255.4364 -149094.0751 299.1612 -183349.5115 -148999.6387 299.5497 -14.7236 15.7651 557419.5904 -3.8151 -3.9893 PRESSURE: 2789400 -83.5799 -45.7325 -131.641 -45.7342 89.7606 86.1678 -131.64 86.1681 -280.261 GPRESSURE: 2789400 -56.3307 -35.6626 -37.4798 -115.371 71.8025 107.739 -200.526 9.93151 -191.07 PRESSAVG: 2789400 8.68905 -16.3481 -48.6918 -16.348 22.3591 40.2719 -48.6918 40.2719 -13.4777 GPRESSAVG: 2789400 10.0493 -15.5736 -49.0196 -15.6303 22.2503 41.3081 -48.2349 39.8262 -14.5151 TIMING: 2789400 CPU: 8317.3, 0.00296219/step Wall: 8317.3, 0.00296219/step, 1.81895 hours remaining, 206.648438 MB of memory in use. ENERGY: 2789400 767.3906 2048.8109 1950.3799 119.9287 -205939.4322 17654.2190 0.0000 0.0000 34224.6894 -149174.0136 298.8927 -183398.7030 -149074.0081 299.8625 -91.3602 -58.5326 556689.6137 5.8568 5.9282 PRESSURE: 2789600 -197.05 -163.708 -43.3743 -163.708 -189.142 -33.3569 -43.3752 -33.356 -287.346 GPRESSURE: 2789600 -191.011 -159.973 -45.2228 -172.774 -141.543 -21.0453 -12.5337 -59.58 -222.509 PRESSAVG: 2789600 -2.0814 -32.1604 -18.5085 -32.1604 -28.5779 -1.07866 -18.5084 -1.07865 4.55508 GPRESSAVG: 2789600 -0.672429 -32.692 -18.2273 -33.191 -28.865 -0.101785 -19.046 -1.68862 3.92727 TIMING: 2789600 CPU: 8317.9, 0.00299882/step Wall: 8317.9, 0.00299882/step, 1.84128 hours remaining, 206.648438 MB of memory in use. ENERGY: 2789600 767.8888 2027.3334 1952.1206 119.1926 -205923.3585 17610.6723 0.0000 0.0000 34353.2723 -149092.8784 300.0157 -183446.1507 -149001.0021 299.4786 -224.5126 -185.0211 557099.5435 -8.7014 -8.5367 PRESSURE: 2789800 152.464 -190.682 67.8705 -190.681 59.1277 -42.768 67.8691 -42.7686 -132.319 GPRESSURE: 2789800 141.208 -154.199 80.1463 -162.868 164.698 -0.755404 2.98469 -57.3297 -118.824 PRESSAVG: 2789800 -17.1637 0.894997 -15.8823 0.895013 48.3744 29.249 -15.8823 29.249 -15.1694 GPRESSAVG: 2789800 -17.9089 1.09625 -15.2895 1.39259 48.268 26.7117 -14.9954 30.1426 -14.4528 TIMING: 2789800 CPU: 8318.5, 0.00299165/step Wall: 8318.5, 0.00299165/step, 1.8367 hours remaining, 206.675781 MB of memory in use. ENERGY: 2789800 763.8901 2035.3741 1968.4143 122.0640 -206366.1530 17987.1274 0.0000 0.0000 34537.2726 -148952.0105 301.6226 -183489.2831 -148855.0016 299.9641 26.4243 62.3606 557857.0803 5.3471 5.3021 PRESSURE: 2790000 -102.294 179.03 62.2784 179.03 -16.4663 19.1478 62.2805 19.1463 198.307 GPRESSURE: 2790000 -79.3595 156.246 64.4243 204.917 22.2008 72.6861 56.2778 -70.2643 239.771 PRESSAVG: 2790000 63.1122 -30.0094 -22.6285 -30.0094 14.1146 -52.4338 -22.6286 -52.4338 -18.4222 GPRESSAVG: 2790000 63.8078 -28.1579 -24.3208 -31.4969 13.5841 -52.4008 -21.3867 -50.6786 -18.6577 TIMING: 2790000 CPU: 8319.1, 0.00299858/step Wall: 8319.1, 0.00299858/step, 1.8408 hours remaining, 206.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2790000 706.5384 2085.2147 1955.1519 121.9335 -205666.9232 17554.0886 0.0000 0.0000 34331.1386 -148912.8575 299.8224 -183243.9961 -148814.3110 300.3336 26.5156 60.8706 557608.7214 19.6015 19.5781 PRESSURE: 2790200 -204.295 6.89908 -5.20405 6.89981 -111.537 67.1074 -5.20407 67.107 -328.347 GPRESSURE: 2790200 -201.459 -9.34794 -118.158 63.8847 -65.922 64.5149 136.288 17.0131 -267.071 PRESSAVG: 2790200 -22.734 3.91424 -49.4476 3.91431 -48.8391 4.97801 -49.4476 4.97801 59.5944 GPRESSAVG: 2790200 -22.4744 2.38297 -48.8183 5.20648 -49.1012 3.94537 -50.7436 4.90335 60.0258 TIMING: 2790200 CPU: 8319.7, 0.00298661/step Wall: 8319.7, 0.00298661/step, 1.83328 hours remaining, 206.675781 MB of memory in use. ENERGY: 2790200 784.2216 2060.6350 1953.1380 104.1966 -205748.4169 17642.5107 0.0000 0.0000 34357.8111 -148845.9038 300.0553 -183203.7149 -148752.5370 300.1055 -214.7266 -178.1506 558747.1667 -3.9929 -3.8499 PRESSURE: 2790400 51.3083 -89.0003 39.0491 -88.9982 -149.504 -210.33 39.0492 -210.332 -257.553 GPRESSURE: 2790400 85.7982 -154.137 122.227 -6.15639 -143.459 -230.277 -2.77363 -254.848 -204.777 PRESSAVG: 2790400 39.5325 -47.467 -25.2535 -47.4669 -8.68661 -45.285 -25.2534 -45.2849 6.09205 GPRESSAVG: 2790400 38.4003 -46.5575 -24.6834 -48.6365 -8.41099 -42.8457 -24.4918 -46.7847 6.4252 TIMING: 2790400 CPU: 8320.29, 0.00296143/step Wall: 8320.29, 0.00296143/step, 1.81766 hours remaining, 206.675781 MB of memory in use. ENERGY: 2790400 725.3617 2112.4156 1934.0122 110.4881 -205370.0196 17278.1520 0.0000 0.0000 34304.7563 -148904.8339 299.5920 -183209.5902 -148805.0529 300.6050 -118.5831 -87.4793 558126.3835 12.3127 12.1382 PRESSURE: 2790600 -380.954 156.685 173.74 156.685 -332.037 114.272 173.738 114.272 -75.6018 GPRESSURE: 2790600 -331.998 143.347 205.443 207.647 -320.078 85.3067 203.233 94.9132 -43.1355 PRESSAVG: 2790600 -19.0012 54.4877 38.4511 54.4876 65.967 -17.5567 38.451 -17.5567 -23.3271 GPRESSAVG: 2790600 -18.5565 54.3241 36.6242 56.0455 64.8074 -17.5186 40.1259 -16.9268 -23.3196 TIMING: 2790600 CPU: 8320.88, 0.0029653/step Wall: 8320.88, 0.0029653/step, 1.81987 hours remaining, 206.675781 MB of memory in use. ENERGY: 2790600 747.5929 2107.1591 1944.6707 108.7731 -205392.2694 17322.6222 0.0000 0.0000 34241.2099 -148920.2415 299.0370 -183161.4514 -148827.9989 300.1929 -262.8640 -231.7371 558574.2491 7.8796 7.6438 PRESSURE: 2790800 -89.4407 -23.8314 -4.00472 -23.8305 -198.594 -40.6051 -4.00571 -40.6055 -157.884 GPRESSURE: 2790800 -92.8893 -45.6506 25.4391 -49.9156 -105.97 -113.852 4.97062 7.39981 -147.58 PRESSAVG: 2790800 -41.9095 -71.0691 -2.36351 -71.0692 6.69405 10.2179 -2.36362 10.2179 -1.95904 GPRESSAVG: 2790800 -42.8576 -73.461 -1.25241 -70.7859 8.69273 10.1324 -3.94881 9.33224 -2.76728 TIMING: 2790800 CPU: 8321.48, 0.00296143/step Wall: 8321.48, 0.00296143/step, 1.81733 hours remaining, 206.675781 MB of memory in use. ENERGY: 2790800 733.7812 2085.0133 1936.7224 105.9479 -205805.9382 17630.8048 0.0000 0.0000 34381.5362 -148932.1323 300.2625 -183313.6686 -148824.6153 300.7469 -148.6398 -115.4797 558240.9384 -12.3915 -12.3107 PRESSURE: 2791000 154.471 -52.6267 32.9376 -52.6256 -47.4308 2.49941 32.9372 2.49897 -154.529 GPRESSURE: 2791000 155.112 -56.215 31.4075 -65.8622 70.1681 156.1 45.2885 -57.4795 -184.668 PRESSAVG: 2791000 -5.21906 18.5021 47.9533 18.5019 -0.998436 0.613304 47.9532 0.613235 -3.58335 GPRESSAVG: 2791000 -4.82898 19.1285 47.6587 18.5242 -3.17117 0.741888 47.331 1.29911 -1.9952 TIMING: 2791000 CPU: 8322.07, 0.00296705/step Wall: 8322.07, 0.00296705/step, 1.82061 hours remaining, 206.675781 MB of memory in use. ENERGY: 2791000 730.8040 2135.0609 1949.2111 116.9968 -205872.1827 17704.6357 0.0000 0.0000 34221.3990 -149014.0751 298.8640 -183235.4741 -148921.9940 299.9562 -15.8297 13.5375 557809.6612 -3.2669 -3.3318 PRESSURE: 2791200 131.793 -151.786 -44.1911 -151.787 -120.865 -100.05 -44.1919 -100.05 -58.8258 GPRESSURE: 2791200 166.798 -158.996 -183.851 -171.247 -103.023 -45.785 -6.8348 -53.1393 -22.7843 PRESSAVG: 2791200 -1.33073 -0.289195 25.4464 -0.289187 12.207 -52.1384 25.4464 -52.1382 -8.34132 GPRESSAVG: 2791200 -0.587575 0.770771 27.4083 -1.73438 11.7117 -51.6521 24.8067 -51.1195 -8.99341 TIMING: 2791200 CPU: 8322.66, 0.00295013/step Wall: 8322.66, 0.00295013/step, 1.81007 hours remaining, 206.675781 MB of memory in use. ENERGY: 2791200 742.2073 2066.4501 1933.5705 118.4693 -205941.5576 17801.7612 0.0000 0.0000 34165.2822 -149113.8171 298.3739 -183279.0993 -149020.1514 299.6137 -15.9657 13.6636 559417.4262 0.8450 0.7102 PRESSURE: 2791400 -129.515 36.6988 -10.0933 36.6997 -235.948 56.2499 -10.0942 56.2508 -139.762 GPRESSURE: 2791400 -73.6418 8.51267 37.0841 -25.8038 -216.207 29.0505 -70.5483 49.3101 -127.85 PRESSAVG: 2791400 33.547 -28.9738 29.157 -28.9739 -76.6626 -6.25224 29.157 -6.25226 92.4454 GPRESSAVG: 2791400 33.1056 -27.5447 26.9016 -28.7922 -74.9729 -7.33978 30.6608 -6.55921 91.193 TIMING: 2791400 CPU: 8323.25, 0.00295982/step Wall: 8323.25, 0.00295982/step, 1.81585 hours remaining, 206.675781 MB of memory in use. ENERGY: 2791400 743.1335 2049.4179 1935.0501 123.1038 -205831.5219 17590.3637 0.0000 0.0000 34108.4039 -149282.0490 297.8772 -183390.4529 -149182.7478 299.4765 -168.4083 -139.2328 559880.3485 16.4433 16.4419 PRESSURE: 2791600 -77.1154 68.5436 -128.12 68.5439 139.025 -137.707 -128.12 -137.708 110.3 GPRESSURE: 2791600 22.6773 116.795 -146.269 43.1677 145.38 -120.763 -90.2653 -167.628 110.127 PRESSAVG: 2791600 -8.3618 -2.14619 -27.441 -2.14604 14.4977 49.188 -27.441 49.188 11.0872 GPRESSAVG: 2791600 -7.62786 -2.56159 -27.0728 -0.10165 13.4647 48.5966 -28.7463 51.8001 11.1961 TIMING: 2791600 CPU: 8323.84, 0.00293244/step Wall: 8323.84, 0.00293244/step, 1.79889 hours remaining, 206.675781 MB of memory in use. ENERGY: 2791600 740.0917 2060.5999 1918.8714 111.6090 -206319.5001 17948.5085 0.0000 0.0000 34322.1696 -149217.6500 299.7440 -183539.8196 -149124.3527 298.5688 57.4033 92.7279 557705.0692 5.7410 5.6776 PRESSURE: 2791800 -61.8052 -149.676 66.4695 -149.676 -184.358 -35.8211 66.4687 -35.8204 42.2319 GPRESSURE: 2791800 -27.3724 -190.153 74.3536 -217.736 -171.956 -104.225 124.816 -7.02098 103.69 PRESSAVG: 2791800 -35.2294 12.798 19.6202 12.7981 -4.9327 -28.4816 19.6202 -28.4815 -18.2564 GPRESSAVG: 2791800 -37.4435 11.7111 20.819 11.9124 -4.22474 -26.8776 20.6537 -30.5687 -16.4261 TIMING: 2791800 CPU: 8324.43, 0.00295299/step Wall: 8324.43, 0.00295299/step, 1.81133 hours remaining, 206.675781 MB of memory in use. ENERGY: 2791800 735.3548 2096.3455 1931.2660 110.9548 -206026.4820 17821.2835 0.0000 0.0000 34271.5280 -149059.7494 299.3018 -183331.2774 -148967.0861 299.8933 -67.9771 -31.8794 559256.7415 -19.4728 -19.3648 PRESSURE: 2792000 16.4663 28.9213 -21.3362 28.9215 -271.667 205.855 -21.3363 205.856 -287.312 GPRESSURE: 2792000 64.0064 87.6951 68.6417 80.3824 -241.501 167.595 -83.3728 248.307 -259.172 PRESSAVG: 2792000 -41.4315 -12.1314 34.4279 -12.1313 25.8268 15.4079 34.4279 15.408 33.5501 GPRESSAVG: 2792000 -39.6399 -13.3683 33.4758 -12.0914 24.9698 13.092 32.3358 16.4563 32.5769 TIMING: 2792000 CPU: 8325.03, 0.00299823/step Wall: 8325.03, 0.00299823/step, 1.83891 hours remaining, 206.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2792000 740.3174 2139.2142 1926.2235 113.1880 -206256.8116 17725.6907 0.0000 0.0000 34584.7587 -149027.4190 302.0373 -183612.1777 -148934.9266 299.9135 -180.8374 -145.5556 558687.2167 5.9818 5.9689 PRESSURE: 2792200 -501.253 -13.4623 37.1167 -13.4627 90.7999 -53.8067 37.1165 -53.8078 -65.1822 GPRESSURE: 2792200 -463.04 8.13472 29.169 -27.718 116.893 -60.5679 37.6738 -97.1478 -42.7374 PRESSAVG: 2792200 -1.60498 11.2106 23.1917 11.2106 -25.4193 44.4742 23.1917 44.4742 72.7669 GPRESSAVG: 2792200 -1.91093 13.5985 24.2097 10.7268 -25.3709 47.6025 25.2936 43.1362 72.603 TIMING: 2792200 CPU: 8325.63, 0.00298679/step Wall: 8325.63, 0.00298679/step, 1.83173 hours remaining, 206.675781 MB of memory in use. ENERGY: 2792200 727.9206 2111.5613 1942.7793 101.1331 -205781.3494 17470.8818 0.0000 0.0000 34110.7712 -149316.3021 297.8978 -183427.0733 -149214.1701 299.2803 -158.5449 -129.6282 557697.5190 15.2476 15.1071 LDB: ============= START OF LOAD BALANCING ============== 8329.18 LDB: ============== END OF LOAD BALANCING =============== 8329.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8329.18 LDB: ============= START OF LOAD BALANCING ============== 8329.48 LDB: Largest compute 4773 load 0.029515 is 25.0% of average load 0.118282 LDB: Average compute 0.001737 is 1.5% of average load 0.118282 LDB: TIME 8329.48 LOAD: AVG 0.118282 MAX 0.205981 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.957 MB LDB: TIME 8329.48 LOAD: AVG 0.118282 MAX 0.205981 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.957 MB LDB: TIME 8329.48 LOAD: AVG 0.118282 MAX 0.205981 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.957 MB LDB: ============== END OF LOAD BALANCING =============== 8329.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8329.49 PRESSURE: 2792400 26.2856 -71.4307 15.4955 -71.4313 56.8996 -182.02 15.4948 -182.019 86.3847 GPRESSURE: 2792400 27.0405 -151.915 -16.6412 -46.5739 145.724 -119.73 53.6271 -149.254 101.784 PRESSAVG: 2792400 -35.8889 -59.8182 -10.0449 -59.8182 69.6156 -12.4067 -10.0449 -12.4068 -1.54435 GPRESSAVG: 2792400 -36.7437 -61.3594 -8.24577 -59.5643 71.3392 -14.3055 -11.1011 -12.3577 -2.29745 TIMING: 2792400 CPU: 8326.24, 0.00305409/step Wall: 8326.24, 0.00305409/step, 1.87284 hours remaining, 206.222656 MB of memory in use. ENERGY: 2792400 708.3343 2113.4835 1923.4154 118.7548 -206358.2359 17865.8527 0.0000 0.0000 34445.8162 -149182.5789 300.8239 -183628.3951 -149086.0209 299.1972 56.5233 91.5163 556686.4473 10.7275 10.7660 PRESSURE: 2792600 26.8606 -201.64 -115.469 -201.64 -2.0842 70.7354 -115.467 70.734 29.5235 GPRESSURE: 2792600 82.0826 -223.908 -95.1975 -202.522 -25.0045 48.8374 -126.891 69.5731 87.3861 PRESSAVG: 2792600 -33.9636 -0.79215 2.64312 -0.792191 -3.41051 -25.5338 2.64314 -25.5339 47.446 GPRESSAVG: 2792600 -33.7681 -0.818688 2.0135 0.64435 -3.99137 -25.8031 4.05581 -25.7474 47.6211 TIMING: 2792600 CPU: 8326.83, 0.00297296/step Wall: 8326.83, 0.00297296/step, 1.82292 hours remaining, 206.222656 MB of memory in use. ENERGY: 2792600 735.5080 2059.8263 1930.2022 129.1833 -205943.9499 17760.9296 0.0000 0.0000 34334.4002 -148993.9002 299.8509 -183328.3004 -148899.0272 299.9530 18.1000 48.1548 557644.2847 3.3573 3.2872 PRESSURE: 2792800 -268.793 64.0135 70.4573 64.0145 -240.75 -172.023 70.4576 -172.022 -86.423 GPRESSURE: 2792800 -192.403 -52.2739 -31.7419 74.6258 -257.596 -143.093 127.523 -165.642 -34.8226 PRESSAVG: 2792800 -14.7774 -26.56 -0.579655 -26.5599 -5.37111 -24.5283 -0.579638 -24.5284 28.5718 GPRESSAVG: 2792800 -14.1613 -24.0226 -2.12658 -28.0611 -6.81598 -23.8209 -0.296826 -25.4657 29.626 TIMING: 2792800 CPU: 8327.42, 0.00296613/step Wall: 8327.42, 0.00296613/step, 1.81857 hours remaining, 206.222656 MB of memory in use. ENERGY: 2792800 726.9644 2109.0151 1955.2679 101.7285 -205538.6100 17394.1454 0.0000 0.0000 34165.7472 -149085.7415 298.3780 -183251.4887 -148983.9577 299.3600 -198.6553 -161.6071 557682.5164 2.8078 2.8829 PRESSURE: 2793000 287.641 74.8039 55.1583 74.8033 244.999 -70.9635 55.1573 -70.9647 160.142 GPRESSURE: 2793000 356.078 43.3279 139.632 71.9008 251.511 -30.0612 -79.5024 0.302287 171.552 PRESSAVG: 2793000 15.4545 34.2987 21.2147 34.2987 15.9827 -21.4623 21.2148 -21.4623 -29.7694 GPRESSAVG: 2793000 15.6015 28.6064 22.3288 37.3018 15.9537 -21.5812 19.6056 -20.179 -29.7859 TIMING: 2793000 CPU: 8328.02, 0.00297305/step Wall: 8328.02, 0.00297305/step, 1.82264 hours remaining, 206.222656 MB of memory in use. ENERGY: 2793000 732.5061 2148.1556 1929.6479 128.8383 -206521.9990 18124.0377 0.0000 0.0000 34236.9672 -149221.8463 299.0000 -183458.8136 -149117.0397 299.7020 230.9276 259.7137 556183.7246 0.5560 0.5898 PRESSURE: 2793200 60.3741 -85.5668 -43.2627 -85.5662 111.944 6.2804 -43.2637 6.28108 241.251 GPRESSURE: 2793200 33.1767 -7.75987 -122.19 -88.686 240.357 13.9116 -55.981 -56.5349 230.589 PRESSAVG: 2793200 34.6149 40.5493 22.8195 40.5493 -33.1556 -23.4393 22.8195 -23.4393 38.6444 GPRESSAVG: 2793200 34.7183 43.3526 19.5097 37.4971 -32.2812 -25.785 25.0813 -23.1083 37.5866 TIMING: 2793200 CPU: 8328.61, 0.00294909/step Wall: 8328.61, 0.00294909/step, 1.8078 hours remaining, 206.222656 MB of memory in use. ENERGY: 2793200 741.5473 2082.7321 1950.5780 123.5259 -206418.1217 17873.2605 0.0000 0.0000 34431.6467 -149214.8310 300.7001 -183646.4777 -149123.1488 299.3969 137.8563 168.0410 555008.3645 13.3679 13.3412 PRESSURE: 2793400 -205.179 -85.296 -21.8581 -85.2935 170.06 42.5134 -21.8571 42.5128 116.6 GPRESSURE: 2793400 -114.015 -118.763 -43.4844 4.0242 193.947 2.06335 -95.7245 110.808 102.016 PRESSAVG: 2793400 -43.4997 -11.3859 30.0215 -11.3858 -25.8946 -16.3902 30.0214 -16.3902 79.4188 GPRESSAVG: 2793400 -43.6534 -10.6227 32.6339 -9.3752 -26.5203 -13.1886 27.0719 -14.3827 80.1549 TIMING: 2793400 CPU: 8329.2, 0.00295119/step Wall: 8329.2, 0.00295119/step, 1.80891 hours remaining, 206.222656 MB of memory in use. ENERGY: 2793400 734.7048 2114.9538 1932.6159 125.6496 -206018.3685 17587.2239 0.0000 0.0000 34294.9365 -149228.2841 299.5062 -183523.2205 -149126.7034 299.7150 27.1602 60.6495 554945.5850 3.3415 3.3270 PRESSURE: 2793600 -7.91384 88.0332 -71.5171 88.0331 220.942 -2.5819 -71.5185 -2.58292 40.8759 GPRESSURE: 2793600 41.0074 103.352 8.55137 93.5724 255.841 -75.6786 -66.0901 60.6703 46.0451 PRESSAVG: 2793600 2.31075 -23.3714 28.6466 -23.3713 -3.14535 -29.242 28.6467 -29.2421 34.0322 GPRESSAVG: 2793600 1.65537 -24.3926 29.5157 -26.6161 -2.82053 -29.4562 30.705 -32.4022 34.8982 TIMING: 2793600 CPU: 8329.79, 0.00296008/step Wall: 8329.79, 0.00296008/step, 1.8142 hours remaining, 206.222656 MB of memory in use. ENERGY: 2793600 766.3287 2172.0915 1938.7923 119.8432 -206435.5117 18050.6891 0.0000 0.0000 34329.5112 -149058.2558 299.8082 -183387.7669 -148962.3930 299.2756 84.6347 114.2977 557109.1950 11.0659 11.2443 PRESSURE: 2793800 124.267 0.141407 -21.5174 0.1411 261.383 133.614 -21.5171 133.613 121.46 GPRESSURE: 2793800 140.621 -3.29052 -39.6063 -1.24643 277.926 93.3539 -111.463 123.516 187.265 PRESSAVG: 2793800 -62.013 -3.57942 -22.8612 -3.57952 61.8817 8.25589 -22.8612 8.25596 -30.4594 GPRESSAVG: 2793800 -61.5276 -2.02171 -25.8566 -3.02301 61.8296 8.19407 -22.3431 9.59562 -30.5199 TIMING: 2793800 CPU: 8330.38, 0.00295127/step Wall: 8330.38, 0.00295127/step, 1.80864 hours remaining, 206.222656 MB of memory in use. ENERGY: 2793800 756.4608 2109.6694 1960.2184 97.7588 -206353.3962 17956.6299 0.0000 0.0000 34460.1800 -149012.4789 300.9493 -183472.6589 -148916.0186 300.2949 169.0366 201.9373 557564.3860 -10.1969 -10.0726 PRESSURE: 2794000 208.383 107.699 -51.2996 107.699 243.919 -69.8595 -51.3009 -69.8579 -103.14 GPRESSURE: 2794000 195.203 89.149 -67.5767 58.2054 259.07 -77.0943 -21.4139 -29.724 -9.14263 PRESSAVG: 2794000 -50.8246 -11.2063 -5.35215 -11.2063 30.6133 -10.9701 -5.35211 -10.9702 35.721 GPRESSAVG: 2794000 -52.1277 -14.245 -2.44108 -8.94144 30.1548 -13.65 -6.09351 -9.80696 36.7005 TIMING: 2794000 CPU: 8330.97, 0.00296081/step Wall: 8330.97, 0.00296081/step, 1.81432 hours remaining, 206.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2794000 736.9281 2111.0176 1946.7591 116.0794 -206507.0431 18095.7069 0.0000 0.0000 34454.3895 -149046.1626 300.8988 -183500.5521 -148951.0021 300.4879 116.3874 148.3767 558050.0500 5.1699 4.9092 PRESSURE: 2794200 23.6585 100.948 2.99558 100.947 25.9208 74.967 2.99413 74.9668 165.829 GPRESSURE: 2794200 102.31 98.5976 -43.8827 166.381 28.2254 -21.897 -2.37968 97.0922 203.514 PRESSAVG: 2794200 -60.9654 -5.38994 4.37421 -5.38996 31.705 25.6588 4.37423 25.6587 9.91893 GPRESSAVG: 2794200 -59.7987 -3.61279 4.83673 -4.45161 31.4557 26.8297 2.6229 25.4235 9.41442 TIMING: 2794200 CPU: 8331.56, 0.00295623/step Wall: 8331.56, 0.00295623/step, 1.81135 hours remaining, 206.222656 MB of memory in use. ENERGY: 2794200 731.5682 2142.2082 1969.8020 112.5748 -206350.9032 18046.6295 0.0000 0.0000 34389.4347 -148958.6857 300.3315 -183348.1204 -148863.7690 300.2901 71.8029 111.3501 558375.9106 -6.4472 -6.3096 PRESSURE: 2794400 -106.555 -217.986 -229.111 -217.986 -180.291 -169.854 -229.112 -169.857 -15.1643 GPRESSURE: 2794400 -54.9117 -185.075 -210.755 -181.193 -155.172 -141.897 -180.336 -199.011 20.7936 PRESSAVG: 2794400 14.7686 -18.95 -18.8736 -18.95 -48.0959 -36.3957 -18.8736 -36.3957 41.0969 GPRESSAVG: 2794400 14.6605 -19.7769 -21.3156 -19.619 -46.7217 -36.9219 -16.5165 -38.1167 40.4394 TIMING: 2794400 CPU: 8332.16, 0.00299001/step Wall: 8332.16, 0.00299001/step, 1.83188 hours remaining, 206.222656 MB of memory in use. ENERGY: 2794400 737.5433 2092.0078 1941.5015 111.1904 -205884.2113 17677.9040 0.0000 0.0000 34290.6889 -149033.3755 299.4691 -183324.0644 -148931.2903 300.0688 -100.6699 -63.0968 557905.4647 2.5899 2.7927 PRESSURE: 2794600 60.5861 -72.6348 131.77 -72.6359 -254.174 87.472 131.771 87.4729 -74.3631 GPRESSURE: 2794600 81.6996 -26.9672 166.574 -77.1553 -188.16 87.2611 60.8695 64.3571 -65.6114 PRESSAVG: 2794600 -7.60221 -31.4777 -80.3401 -31.4776 20.421 1.34838 -80.3401 1.34832 35.196 GPRESSAVG: 2794600 -7.6829 -32.5158 -79.0539 -31.3306 19.5536 2.87989 -82.0691 3.28148 35.518 TIMING: 2794600 CPU: 8332.76, 0.00300692/step Wall: 8332.76, 0.00300692/step, 1.84207 hours remaining, 206.222656 MB of memory in use. ENERGY: 2794600 776.1177 2110.3194 1937.4052 100.5840 -205939.3584 17632.5050 0.0000 0.0000 34359.2037 -149023.2233 300.0675 -183382.4270 -148925.6157 299.6671 -89.3172 -57.3571 557781.2610 16.0049 15.7962 PRESSURE: 2794800 54.1597 -62.8121 -1.53687 -62.811 -147.929 57.4261 -1.53615 57.4266 -83.2214 GPRESSURE: 2794800 94.6 -44.6474 2.59115 -69.5149 -79.1823 83.5069 15.2765 21.4501 -96.3943 PRESSAVG: 2794800 24.1328 -6.91299 21.1464 -6.91302 -63.3769 24.5001 21.1464 24.5002 7.52058 GPRESSAVG: 2794800 23.0824 -4.62043 22.7822 -7.48018 -62.4214 24.6837 21.8497 22.4376 7.5715 TIMING: 2794800 CPU: 8333.36, 0.0029661/step Wall: 8333.36, 0.0029661/step, 1.8169 hours remaining, 206.222656 MB of memory in use. ENERGY: 2794800 738.3708 2064.3742 1938.5974 132.6026 -205763.3910 17635.2600 0.0000 0.0000 34280.3317 -148973.8543 299.3787 -183254.1860 -148874.6451 300.2037 -58.9969 -26.9922 559534.5657 -10.5745 -10.5892 PRESSURE: 2795000 -268.24 -110.763 16.4669 -110.763 -279.293 128.542 16.4673 128.541 87.9135 GPRESSURE: 2795000 -240.533 -10.6533 63.4016 -122.061 -216.334 153.402 -55.7902 79.6819 98.7609 PRESSAVG: 2795000 -48.6224 -52.7843 -35.5167 -52.7842 0.729729 11.6729 -35.5166 11.6729 18.502 GPRESSAVG: 2795000 -48.1053 -52.0271 -36.0956 -54.0137 -0.691416 11.1285 -36.9553 12.9315 19.6535 TIMING: 2795000 CPU: 8333.95, 0.00295864/step Wall: 8333.95, 0.00295864/step, 1.81216 hours remaining, 206.222656 MB of memory in use. ENERGY: 2795000 749.0850 2114.8621 1940.1390 107.3987 -205812.4310 17495.4941 0.0000 0.0000 34506.3333 -148899.1188 301.3524 -183405.4520 -148803.6014 300.0357 -153.2065 -119.3687 558515.8976 -9.7969 -9.7144 PRESSURE: 2795200 59.147 -1.28282 155.045 -1.2825 343.845 -110.233 155.046 -110.234 21.0666 GPRESSURE: 2795200 62.1148 48.2313 205.95 -48.9776 397.112 -74.4308 144.51 -75.6851 61.7266 PRESSAVG: 2795200 -22.6052 -25.1512 -19.6237 -25.1512 -15.1301 -12.8658 -19.6237 -12.8657 13.81 GPRESSAVG: 2795200 -23.1046 -25.393 -19.725 -22.5279 -13.5588 -12.9741 -18.12 -14.1236 12.7579 TIMING: 2795200 CPU: 8334.54, 0.00296899/step Wall: 8334.54, 0.00296899/step, 1.81834 hours remaining, 206.222656 MB of memory in use. ENERGY: 2795200 730.6996 2087.5750 1909.9599 118.0340 -206143.4539 17881.2420 0.0000 0.0000 34438.9868 -148976.9567 300.7642 -183415.9435 -148879.6976 300.2062 141.3529 173.6512 555361.9148 -7.9751 -7.9685 PRESSURE: 2795400 -201.13 69.52 -55.7538 69.5194 -206.339 11.5701 -55.7539 11.5714 40.5401 GPRESSURE: 2795400 -149.187 20.709 -89.7639 170.253 -168.032 -14.7304 44.4684 49.1595 56.7289 PRESSAVG: 2795400 -100.536 12.1546 -14.7212 12.1545 -8.56442 1.0909 -14.7212 1.09091 100.287 GPRESSAVG: 2795400 -99.7513 10.5118 -16.576 10.1939 -8.45782 -0.498846 -12.2468 3.60758 99.1714 TIMING: 2795400 CPU: 8335.14, 0.00300585/step Wall: 8335.14, 0.00300586/step, 1.84075 hours remaining, 206.222656 MB of memory in use. ENERGY: 2795400 777.5363 2037.4503 1959.0446 116.1821 -206232.8358 17768.5203 0.0000 0.0000 34425.7173 -149148.3849 300.6484 -183574.1022 -149049.7776 299.9803 -122.3095 -86.8300 556723.5208 -2.9376 -3.0126 PRESSURE: 2795600 -3.76801 -83.9284 -43.3908 -83.9295 85.9957 -99.0412 -43.3904 -99.0402 -49.956 GPRESSURE: 2795600 33.0747 -81.0867 -51.7508 -71.8012 143.131 -82.99 -19.2312 -121.889 -52.686 PRESSAVG: 2795600 27.6029 -92.6383 -14.4089 -92.6384 -3.93284 -0.668394 -14.4088 -0.668459 11.1105 GPRESSAVG: 2795600 27.7507 -91.5398 -13.3351 -91.2134 -4.1716 -2.38565 -16.778 -1.13361 11.0908 TIMING: 2795600 CPU: 8335.74, 0.00298825/step Wall: 8335.74, 0.00298825/step, 1.82981 hours remaining, 206.222656 MB of memory in use. ENERGY: 2795600 718.0100 2059.0358 1952.1478 100.7246 -206118.0000 17707.5907 0.0000 0.0000 34391.6264 -149188.8646 300.3506 -183580.4910 -149095.2839 299.5254 10.7572 41.1731 557084.1970 11.5935 11.5566 PRESSURE: 2795800 -180.557 -221.466 -138.332 -221.466 -18.33 48.4599 -138.333 48.4611 -0.476692 GPRESSURE: 2795800 -159.154 -250.078 -30.4602 -202.167 -21.5774 34.7832 -174.812 109 80.5113 PRESSAVG: 2795800 7.12103 -42.1056 -103.388 -42.1055 33.2466 4.16674 -103.388 4.16673 -38.5528 GPRESSAVG: 2795800 6.53993 -44.2228 -103.087 -41.2633 32.8118 6.82491 -105.261 3.10054 -38.0758 TIMING: 2795800 CPU: 8336.34, 0.0029696/step Wall: 8336.34, 0.0029696/step, 1.81822 hours remaining, 206.222656 MB of memory in use. ENERGY: 2795800 765.0212 2015.9891 1934.3592 113.4962 -205988.5761 17722.8021 0.0000 0.0000 34167.9474 -149268.9609 298.3972 -183436.9082 -149171.8383 299.0894 -66.4547 -33.4067 558632.3110 0.6049 0.4253 PRESSURE: 2796000 -102.526 113.58 81.9285 113.581 -112.914 44.8931 81.9285 44.8924 56.4021 GPRESSURE: 2796000 -5.13148 25.6612 2.87389 277.126 -137.909 12.4564 120.905 103.36 87.2338 PRESSAVG: 2796000 15.6044 25.7225 1.67367 25.7225 6.95432 -12.836 1.67365 -12.8361 5.4828 GPRESSAVG: 2796000 15.6431 27.5261 0.475777 24.4748 6.68118 -12.3273 4.13841 -14.6218 5.66035 TIMING: 2796000 CPU: 8336.93, 0.00296374/step Wall: 8336.93, 0.00296374/step, 1.81447 hours remaining, 206.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2796000 754.8585 2095.6266 1949.7053 128.2910 -206413.7496 17912.5578 0.0000 0.0000 34390.3855 -149182.3248 300.3398 -183572.7104 -149086.0104 299.0085 -53.0127 -18.6024 558236.8073 9.3472 9.3282 PRESSURE: 2796200 -121.933 100.797 -91.9641 100.796 -27.5352 -221.334 -91.9647 -221.334 -153.009 GPRESSURE: 2796200 -100.176 167.797 -100.01 96.672 -1.92248 -196.095 -50.6621 -182.919 -96.1458 PRESSAVG: 2796200 -54.0146 46.5256 8.9082 46.5256 -8.62066 1.97742 8.90823 1.97735 53.0285 GPRESSAVG: 2796200 -54.3074 48.6957 8.90613 44.8244 -8.39073 2.8479 7.45116 2.36452 52.7418 TIMING: 2796200 CPU: 8337.52, 0.0029811/step Wall: 8337.52, 0.0029811/step, 1.82493 hours remaining, 206.222656 MB of memory in use. ENERGY: 2796200 762.4356 2074.3206 1944.8169 113.1171 -205456.9173 17439.1607 0.0000 0.0000 34064.5089 -149058.5575 297.4938 -183123.0665 -148961.3119 299.5146 -100.8255 -66.0814 558365.0453 -3.2023 -3.3188 LDB: ============= START OF LOAD BALANCING ============== 8341.07 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8341.07 LDB: =============== DONE WITH MIGRATION ================ 8341.07 LDB: ============= START OF LOAD BALANCING ============== 8341.37 LDB: Largest compute 4773 load 0.028970 is 24.5% of average load 0.118232 LDB: Average compute 0.001734 is 1.5% of average load 0.118232 LDB: TIME 8341.37 LOAD: AVG 0.118232 MAX 0.200307 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 8341.37 LOAD: AVG 0.118232 MAX 0.200307 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.281 MB LDB: TIME 8341.37 LOAD: AVG 0.118232 MAX 0.200307 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.281 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8341.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8341.38 PRESSURE: 2796400 -69.1464 -72.2763 91.7693 -72.2762 -122.847 -159.074 91.7688 -159.073 149.891 GPRESSURE: 2796400 -85.5624 -114.289 -10.4426 -86.1484 -56.3595 -93.8427 124.961 -124.493 185.137 PRESSAVG: 2796400 -13.2491 30.7884 53.5265 30.7884 -39.1451 -39.2951 53.5265 -39.295 64.6409 GPRESSAVG: 2796400 -11.8377 30.0038 55.4769 32.1417 -39.7891 -40.4517 52.4816 -38.1574 63.2017 TIMING: 2796400 CPU: 8338.13, 0.00300979/step Wall: 8338.13, 0.00300979/step, 1.84233 hours remaining, 207.949219 MB of memory in use. ENERGY: 2796400 745.5571 2090.5403 1931.4114 133.4217 -205740.5221 17567.0970 0.0000 0.0000 34253.7193 -149018.7754 299.1462 -183272.4947 -148920.6827 299.7547 -14.0343 14.4051 557327.4119 4.0822 3.8583 PRESSURE: 2796600 -44.7255 155.074 -130.097 155.074 78.3019 8.12825 -130.096 8.12912 -11.1129 GPRESSURE: 2796600 0.695863 207.03 -86.468 69.4279 85.0761 -81.5054 -160.987 64.3766 31.3292 PRESSAVG: 2796600 -1.51744 12.652 32.239 12.652 -65.9328 -79.1779 32.239 -79.178 30.7837 GPRESSAVG: 2796600 -2.19772 10.3708 32.746 13.7432 -65.9301 -77.9604 33.7381 -79.7905 31.5719 TIMING: 2796600 CPU: 8338.72, 0.0029455/step Wall: 8338.72, 0.0029455/step, 1.80281 hours remaining, 208.015625 MB of memory in use. ENERGY: 2796600 753.9847 2051.5722 1942.9808 106.5312 -206084.2252 17883.5009 0.0000 0.0000 34193.7664 -149151.8890 298.6227 -183345.6554 -149055.6263 299.0984 7.4878 39.0337 555961.3631 -12.2222 -12.1853 PRESSURE: 2796800 263.186 8.48266 -14.2778 8.48289 59.826 -78.6864 -14.2774 -78.685 -104.673 GPRESSURE: 2796800 318.119 -10.165 -35.1044 -93.0365 105.994 -128.319 50.9554 -37.1305 -122.168 PRESSAVG: 2796800 -5.9531 -61.2484 -28.2497 -61.2485 34.5735 -93.9682 -28.2496 -93.9683 -37.6897 GPRESSAVG: 2796800 -6.27064 -61.4805 -30.4116 -62.115 34.4222 -95.1197 -28.3444 -96.5141 -37.1741 TIMING: 2796800 CPU: 8339.31, 0.00295253/step Wall: 8339.31, 0.00295253/step, 1.80695 hours remaining, 208.015625 MB of memory in use. ENERGY: 2796800 740.4813 2087.8219 1931.5629 118.8614 -205747.6746 17715.2031 0.0000 0.0000 34097.8456 -149055.8983 297.7850 -183153.7440 -148971.2802 298.5555 72.7797 100.6480 557489.4597 -3.0231 -3.0075 PRESSURE: 2797000 -60.8553 4.40649 15.2119 4.40636 62.5069 -44.0062 15.2115 -44.0076 2.07807 GPRESSURE: 2797000 -48.528 -56.4716 23.892 35.6204 136.039 -34.0474 -44.712 -10.6531 -11.2411 PRESSAVG: 2797000 28.0523 -14.0823 0.477441 -14.0824 31.2784 -73.0739 0.477473 -73.0739 -16.3698 GPRESSAVG: 2797000 29.0927 -11.3389 2.13835 -13.7101 31.4053 -74.4299 1.37229 -69.4886 -17.4978 TIMING: 2797000 CPU: 8339.9, 0.00295156/step Wall: 8339.9, 0.00295156/step, 1.80619 hours remaining, 208.015625 MB of memory in use. ENERGY: 2797000 738.1749 2145.5915 1956.1041 110.5685 -206185.5441 17656.0749 0.0000 0.0000 34202.3660 -149376.6642 298.6978 -183579.0302 -149287.9863 299.1480 1.2432 25.4234 556795.0562 14.3203 14.3334 PRESSURE: 2797200 -180.771 -24.7725 87.5305 -24.7716 -81.2127 -107.992 87.5311 -107.993 -212.933 GPRESSURE: 2797200 -215.128 36.1315 121.149 -57.2905 2.73452 7.86612 54.422 -177.734 -170.996 PRESSAVG: 2797200 -64.1078 -11.4077 52.7377 -11.4076 55.0252 -67.8034 52.7377 -67.8034 36.7792 GPRESSAVG: 2797200 -64.5766 -11.778 53.4774 -12.1601 55.0456 -64.5949 50.6836 -70.821 37.7388 TIMING: 2797200 CPU: 8340.48, 0.00293815/step Wall: 8340.48, 0.00293815/step, 1.79782 hours remaining, 208.015625 MB of memory in use. ENERGY: 2797200 758.0224 2086.0197 1945.2900 107.6161 -205760.4065 17554.3418 0.0000 0.0000 34010.7585 -149298.3580 297.0244 -183309.1165 -149203.6039 298.9886 -158.3056 -127.7964 558303.9869 9.2322 9.4026 PRESSURE: 2797400 275.575 137.925 80.2135 137.925 32.1317 -29.7568 80.2143 -29.7569 -198.292 GPRESSURE: 2797400 259.891 151.743 -13.8073 210.067 95.7527 -5.79322 112.337 -63.75 -148.253 PRESSAVG: 2797400 -69.6494 4.23022 52.4716 4.2301 25.3412 -43.2952 52.4716 -43.2953 11.2337 GPRESSAVG: 2797400 -70.7398 3.8324 51.4905 4.93571 25.5587 -44.9576 53.9651 -42.1552 12.4497 TIMING: 2797400 CPU: 8341.07, 0.00293405/step Wall: 8341.07, 0.00293405/step, 1.79515 hours remaining, 208.015625 MB of memory in use. ENERGY: 2797400 730.5379 2110.9844 1938.2454 114.7336 -206338.0865 17877.4029 0.0000 0.0000 34304.5778 -149261.6046 299.5904 -183566.1823 -149166.2198 299.0278 36.4716 69.1302 558022.7658 -11.0248 -10.9105 PRESSURE: 2797600 -166.853 -108.509 194.926 -108.508 174.251 -144.934 194.926 -144.934 88.1349 GPRESSURE: 2797600 -143.964 -206.45 134.53 -93.0327 220.481 -100.943 224.722 -124.957 112.737 PRESSAVG: 2797600 8.83243 -0.696633 5.70397 -0.696646 -3.9494 -31.8954 5.70388 -31.8953 5.36159 GPRESSAVG: 2797600 10.3396 -1.60959 3.85626 0.81055 -4.77617 -33.6144 4.7637 -32.3672 4.59844 TIMING: 2797600 CPU: 8341.66, 0.00296084/step Wall: 8341.66, 0.00296084/step, 1.81138 hours remaining, 208.015625 MB of memory in use. ENERGY: 2797600 718.9830 2125.8572 1939.1142 124.0041 -205741.9469 17473.0033 0.0000 0.0000 34113.6569 -149247.3282 297.9230 -183360.9851 -149148.4002 298.8436 31.8444 63.0843 555995.9084 3.4149 3.3873 PRESSURE: 2797800 -186.886 -15.7568 -178.072 -15.7576 -130.656 -87.5445 -178.074 -87.5451 -204.67 GPRESSURE: 2797800 -184.093 -49.4601 -243.98 -50.2433 -107.843 -85.2861 -47.4068 -61.0131 -147.961 PRESSAVG: 2797800 42.9841 -48.5719 43.3518 -48.5719 -56.892 -42.6438 43.3517 -42.6437 45.2336 GPRESSAVG: 2797800 42.5452 -49.6604 44.5746 -48.9804 -55.8704 -41.4751 45.032 -41.1252 44.5784 TIMING: 2797800 CPU: 8342.26, 0.0030044/step Wall: 8342.26, 0.0030044/step, 1.83786 hours remaining, 208.015625 MB of memory in use. ENERGY: 2797800 788.5027 2094.3093 1934.7192 116.3097 -206121.4628 17805.6102 0.0000 0.0000 34150.0975 -149231.9142 298.2413 -183382.0117 -149138.2637 299.3896 -174.0703 -146.6324 557220.3709 10.4419 10.4178 PRESSURE: 2798000 -26.3044 27.0453 108.296 27.0461 122.008 147.147 108.296 147.147 176.481 GPRESSURE: 2798000 27.0016 -15.5795 61.1887 30.8724 123.264 106.063 111.191 196.873 228.147 PRESSAVG: 2798000 14.2511 -63.2254 43.1188 -63.2254 -66.5944 -20.1219 43.1188 -20.1219 68.6003 GPRESSAVG: 2798000 15.1777 -62.9754 44.3516 -62.3686 -68.2166 -18.9448 40.3198 -22.523 68.974 TIMING: 2798000 CPU: 8342.86, 0.00297997/step Wall: 8342.86, 0.00297997/step, 1.82275 hours remaining, 208.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2798000 736.0512 2113.6863 1931.9221 103.7689 -206213.5843 17842.3416 0.0000 0.0000 34307.7013 -149178.1130 299.6177 -183485.8142 -149078.2822 300.0904 90.7282 126.1374 555350.3216 5.4190 5.3117 PRESSURE: 2798200 -122.274 -25.3373 9.16408 -25.3377 -269.5 -65.6757 9.16323 -65.6748 -208.871 GPRESSURE: 2798200 -64.2617 -35.5581 8.24322 -48.8426 -255.959 -70.4949 13.5185 -1.79381 -182.511 PRESSAVG: 2798200 26.8703 -33.1543 13.6234 -33.1544 12.8726 28.5412 13.6234 28.5412 8.88073 GPRESSAVG: 2798200 26.0484 -32.0884 12.4021 -33.5203 13.1103 27.7514 15.9884 29.269 9.07507 TIMING: 2798200 CPU: 8343.45, 0.00295032/step Wall: 8343.45, 0.00295032/step, 1.80445 hours remaining, 208.015625 MB of memory in use. ENERGY: 2798200 733.7085 2117.6422 1913.5270 113.4583 -206047.7916 17446.5066 0.0000 0.0000 34230.7813 -149492.1677 298.9459 -183722.9490 -149393.8813 298.9094 -200.2151 -167.5773 556602.2936 16.2079 16.0779 PRESSURE: 2798400 231.339 -141.557 -243.635 -141.558 -6.87335 -15.8655 -243.636 -15.8644 146.343 GPRESSURE: 2798400 212.034 -162.808 -243.604 -168.718 71.1342 -87.5942 -246.787 -37.1574 176.157 PRESSAVG: 2798400 42.8238 -23.6829 2.95934 -23.6829 -41.5138 -35.1847 2.95936 -35.1846 5.01006 GPRESSAVG: 2798400 43.113 -23.1368 3.43864 -24.3006 -41.5778 -36.8939 1.2608 -35.1909 5.4458 TIMING: 2798400 CPU: 8344.04, 0.00295362/step Wall: 8344.04, 0.00295362/step, 1.8063 hours remaining, 208.015625 MB of memory in use. ENERGY: 2798400 744.8192 2055.1228 1940.8996 116.0165 -206613.4456 18123.1472 0.0000 0.0000 34287.8829 -149345.5573 299.4446 -183633.4402 -149254.6063 298.9862 123.6030 153.1085 555746.1043 2.1067 2.3270 PRESSURE: 2798600 -195.116 51.0502 14.1119 51.0495 102.743 -95.073 14.111 -95.0738 81.0385 GPRESSURE: 2798600 -207.697 50.3755 13.9102 55.5345 146.592 -100.906 66.8495 -78.9994 145.037 PRESSAVG: 2798600 35.8401 51.5278 -24.5539 51.5278 21.4344 56.7367 -24.5539 56.7368 -19.5049 GPRESSAVG: 2798600 34.8039 51.1746 -24.4387 51.5199 22.3045 57.224 -20.9278 56.0023 -19.2396 TIMING: 2798600 CPU: 8344.64, 0.00297745/step Wall: 8344.64, 0.00297745/step, 1.82071 hours remaining, 208.015625 MB of memory in use. ENERGY: 2798600 754.2956 2120.5772 1949.9981 121.0009 -206430.2092 17708.5215 0.0000 0.0000 34374.6584 -149401.1576 300.2024 -183775.8160 -149313.1602 299.4645 -3.7780 27.9775 555619.6655 12.5899 12.6229 PRESSURE: 2798800 -20.5807 148.409 111.73 148.41 73.6156 -33.7639 111.731 -33.7653 139.991 GPRESSURE: 2798800 -12.982 132.347 94.3988 120.614 81.0281 -32.7055 131.145 -97.5597 216.637 PRESSAVG: 2798800 -29.9216 48.6867 2.47581 48.6866 25.5424 -8.62402 2.47582 -8.62416 59.1671 GPRESSAVG: 2798800 -28.2885 47.7802 0.51855 48.398 25.5228 -8.73967 2.8035 -6.94749 58.0833 TIMING: 2798800 CPU: 8345.23, 0.0029903/step Wall: 8345.23, 0.0029903/step, 1.8284 hours remaining, 208.015625 MB of memory in use. ENERGY: 2798800 769.1001 2021.4339 1960.0060 116.7087 -206304.6238 17910.7882 0.0000 0.0000 34278.1101 -149248.4767 299.3593 -183526.5869 -149151.6865 299.7330 64.3421 94.8943 557630.7652 18.2626 18.4392 PRESSURE: 2799000 -110.73 62.65 -114.391 62.6508 -229.062 126.192 -114.39 126.191 18.1018 GPRESSURE: 2799000 -99.275 4.66149 -111.888 50.8712 -171.398 119.125 -119.039 4.61154 52.9379 PRESSAVG: 2799000 -28.915 0.0537359 -22.322 0.0538203 -30.365 18.0791 -22.322 18.079 68.9766 GPRESSAVG: 2799000 -29.5982 0.300141 -21.409 1.4512 -30.8747 19.3399 -23.8387 17.2144 69.9998 TIMING: 2799000 CPU: 8345.83, 0.00296421/step Wall: 8345.83, 0.00296421/step, 1.81229 hours remaining, 208.015625 MB of memory in use. ENERGY: 2799000 780.8731 2076.2668 1913.4312 115.5461 -206231.8743 17838.5396 0.0000 0.0000 34374.0895 -149133.1281 300.1975 -183507.2176 -149025.3346 299.1243 -107.2301 -72.5785 558685.9255 3.2322 3.1756 PRESSURE: 2799200 -129.117 60.2519 6.62468 60.252 -225.373 -76.9646 6.62576 -76.9642 -41.9481 GPRESSURE: 2799200 -103.575 7.90802 132.774 53.7294 -185.692 -30.153 0.244197 -96.7478 -8.05296 PRESSAVG: 2799200 -1.12899 16.9582 -18.3064 16.9582 -36.3457 -9.71415 -18.3063 -9.71417 52.6223 GPRESSAVG: 2799200 -0.732666 15.7765 -18.6972 18.3347 -37.255 -11.1529 -17.5266 -9.78998 53.4274 TIMING: 2799200 CPU: 8346.42, 0.00296238/step Wall: 8346.42, 0.00296238/step, 1.811 hours remaining, 208.015625 MB of memory in use. ENERGY: 2799200 759.5063 2054.7307 1927.8592 109.8976 -206044.4010 17730.7487 0.0000 0.0000 34166.9914 -149294.6671 298.3888 -183461.6584 -149195.9294 299.4119 -132.1462 -99.1065 558470.0715 5.0492 5.1466 PRESSURE: 2799400 185.41 77.0052 234.257 77.0047 -56.3579 -157.368 234.257 -157.366 -40.983 GPRESSURE: 2799400 274.165 3.36882 224.116 84.148 -37.309 -156.52 263.947 -137.753 -59.8427 PRESSAVG: 2799400 -56.4987 137.845 18.8638 137.845 -58.3493 20.3279 18.8638 20.3279 94.5497 GPRESSAVG: 2799400 -55.9065 138.676 21.8312 134.926 -57.4532 19.819 17.4417 19.867 93.1053 TIMING: 2799400 CPU: 8347.02, 0.00297843/step Wall: 8347.02, 0.00297843/step, 1.82065 hours remaining, 208.015625 MB of memory in use. ENERGY: 2799400 759.3921 2072.2852 1950.6944 100.4981 -206477.8204 17904.4699 0.0000 0.0000 34308.0522 -149382.4285 299.6208 -183690.4807 -149279.9659 298.7739 29.3565 59.0045 557694.6733 -6.7661 -6.7515 PRESSURE: 2799600 154.791 54.332 -27.3793 54.3326 -103.711 119.3 -27.3787 119.301 240.7 GPRESSURE: 2799600 155.978 -8.7985 -19.8259 32.3663 -55.7791 232.602 -107.006 35.9877 289.114 PRESSAVG: 2799600 -9.00685 38.3739 -2.34482 38.374 3.7851 31.328 -2.34474 31.3281 6.65228 GPRESSAVG: 2799600 -9.02575 39.9575 -4.26691 39.8644 3.71852 33.4509 -0.576006 31.3916 6.65816 TIMING: 2799600 CPU: 8347.61, 0.00295112/step Wall: 8347.61, 0.00295112/step, 1.80379 hours remaining, 208.015625 MB of memory in use. ENERGY: 2799600 725.4064 2140.7074 1944.0006 132.6466 -206483.3715 17898.2576 0.0000 0.0000 34232.6470 -149409.7059 298.9622 -183642.3529 -149316.8691 299.4071 97.2601 129.7709 556832.2262 0.4768 0.4503 PRESSURE: 2799800 -77.3213 115.65 102.097 115.65 -227.364 1.48244 102.096 1.48267 47.6836 GPRESSURE: 2799800 -74.2966 130.16 60.3539 127.715 -160.669 -29.8268 209.211 -19.0109 84.2669 PRESSAVG: 2799800 6.75686 6.01554 -1.84022 6.01556 -27.6911 50.1692 -1.8403 50.1692 34.1927 GPRESSAVG: 2799800 5.54494 5.77726 -1.10774 5.64476 -27.7398 51.0009 -0.358661 50.1552 35.3354 TIMING: 2799800 CPU: 8348.2, 0.00296147/step Wall: 8348.2, 0.00296148/step, 1.80995 hours remaining, 208.015625 MB of memory in use. ENERGY: 2799800 776.5038 2098.1098 1934.2101 96.9789 -206658.5570 18024.3257 0.0000 0.0000 34307.7115 -149420.7172 299.6178 -183728.4287 -149323.9497 298.8756 -85.6674 -50.2328 557698.7789 4.4195 4.3802 PRESSURE: 2800000 -28.1085 100.382 -107.77 100.382 -66.4323 212.697 -107.769 212.696 -270.265 GPRESSURE: 2800000 16.0864 96.7378 -78.2712 107.287 -37.2208 243.336 -71.3888 181.139 -249.938 PRESSAVG: 2800000 -33.0131 19.7608 20.3529 19.7607 42.0054 47.8745 20.3529 47.8745 -16.5222 GPRESSAVG: 2800000 -32.3766 21.5434 18.7087 17.4145 42.2942 45.3258 18.7341 47.1699 -17.6591 TIMING: 2800000 CPU: 8348.79, 0.00296844/step Wall: 8348.79, 0.00296844/step, 1.81404 hours remaining, 208.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2800000 754.3393 2101.7910 1923.1380 112.3721 -206425.1457 17675.2746 0.0000 0.0000 34352.9850 -149505.2456 300.0132 -183858.2306 -149410.4828 298.5087 -121.6018 -90.3576 557443.2990 -2.5099 -2.5805 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2800000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 2800000 WRITING COORDINATES TO RESTART FILE AT STEP 2800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2800200 77.4935 -204.316 204.983 -204.316 51.5182 80.3126 204.983 80.3121 -111.362 GPRESSURE: 2800200 90.9212 -212.078 223.859 -152.061 86.7537 149.757 103.807 38.044 -67.581 PRESSAVG: 2800200 0.829021 44.2089 45.277 44.2089 3.36639 -28.9819 45.2771 -28.982 37.215 GPRESSAVG: 2800200 0.479286 43.1029 46.5524 47.7878 2.91409 -28.4597 44.0205 -27.7275 37.9995 TIMING: 2800200 CPU: 8349.4, 0.00302526/step Wall: 8349.4, 0.00302526/step, 1.8486 hours remaining, 208.015625 MB of memory in use. ENERGY: 2800200 757.2729 2083.0807 1952.8262 112.4609 -206711.9894 17995.5305 0.0000 0.0000 34314.9909 -149495.8273 299.6813 -183810.8181 -149409.5232 298.3678 5.8832 36.6980 557793.2161 13.8035 13.7976 LDB: ============= START OF LOAD BALANCING ============== 8352.94 LDB: ============== END OF LOAD BALANCING =============== 8352.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8352.94 LDB: ============= START OF LOAD BALANCING ============== 8353.24 LDB: Largest compute 4773 load 0.027508 is 23.3% of average load 0.118309 LDB: Average compute 0.001734 is 1.5% of average load 0.118309 LDB: TIME 8353.24 LOAD: AVG 0.118309 MAX 0.201632 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.02 MB LDB: TIME 8353.24 LOAD: AVG 0.118309 MAX 0.201632 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.02 MB LDB: TIME 8353.24 LOAD: AVG 0.118309 MAX 0.201632 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.02 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8353.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8353.25 PRESSURE: 2800400 -36.8537 234.25 49.2867 234.249 -24.331 -51.777 49.2866 -51.7769 109.249 GPRESSURE: 2800400 24.1457 234.933 66.0854 235.762 -55.4134 -76.0445 -19.4489 -5.27224 176.803 PRESSAVG: 2800400 -14.9589 -36.8731 -3.19784 -36.873 -10.3805 -56.565 -3.19792 -56.5649 18.5288 GPRESSAVG: 2800400 -15.9822 -37.5981 -3.41396 -36.891 -11.2236 -56.0709 -3.18258 -59.1835 20.0355 TIMING: 2800400 CPU: 8350, 0.00299894/step Wall: 8350, 0.00299894/step, 1.83235 hours remaining, 207.246094 MB of memory in use. ENERGY: 2800400 766.5311 2135.1410 1920.9916 120.1476 -206317.3354 17712.5988 0.0000 0.0000 34284.9299 -149376.9955 299.4188 -183661.9254 -149288.1894 299.9076 16.0215 48.5119 557454.5545 -2.2702 -2.3901 PRESSURE: 2800600 108.032 67.7713 167.849 67.7708 10.9662 -171.178 167.849 -171.176 -106.552 GPRESSURE: 2800600 145.293 209.307 148.413 -38.1352 63.7047 -156.339 169.017 -210.818 -90.5448 PRESSAVG: 2800600 0.0621893 45.8295 -48.9727 45.8296 17.9131 -2.13964 -48.9727 -2.13959 -3.57381 GPRESSAVG: 2800600 0.0632454 45.6822 -51.6493 44.4419 18.7046 -1.97762 -48.306 0.399257 -4.20784 TIMING: 2800600 CPU: 8350.59, 0.00294507/step Wall: 8350.59, 0.00294507/step, 1.79927 hours remaining, 207.246094 MB of memory in use. ENERGY: 2800600 784.9021 2088.8310 1928.3853 101.9687 -206360.7140 17840.8270 0.0000 0.0000 34242.6645 -149373.1353 299.0497 -183615.7998 -149280.9557 299.0089 4.1487 39.4843 557198.0342 4.8005 4.8533 PRESSURE: 2800800 8.99267 100.086 -75.1694 100.086 -47.9637 -35.1048 -75.1701 -35.1052 -92.8475 GPRESSURE: 2800800 13.038 166.789 -71.712 75.4885 39.2003 -8.6307 -49.0355 54.9858 -89.3976 PRESSAVG: 2800800 -6.44191 55.471 -30.1694 55.4711 -56.6086 20.0482 -30.1694 20.0482 39.0414 GPRESSAVG: 2800800 -4.95352 56.3853 -28.6732 56.5631 -56.4601 20.8392 -31.5394 19.0987 37.4628 TIMING: 2800800 CPU: 8351.18, 0.00297127/step Wall: 8351.18, 0.00297127/step, 1.81512 hours remaining, 207.246094 MB of memory in use. ENERGY: 2800800 731.5981 2112.8098 1925.3523 114.9066 -205978.4047 17727.0359 0.0000 0.0000 34231.0747 -149135.6273 298.9485 -183366.7021 -149037.4099 298.8925 -43.9395 -12.3864 558499.9919 -8.0030 -7.9836 PRESSURE: 2801000 -205.779 -127.352 -119.378 -127.353 85.6614 5.7273 -119.378 5.72918 -94.4056 GPRESSURE: 2801000 -138.764 -109.441 -76.4278 -197.529 141.695 -18.5706 -126.129 -53.89 -121.018 PRESSAVG: 2801000 13.6736 22.9799 -72.7028 22.9799 -2.14891 16.5903 -72.7029 16.5902 3.87206 GPRESSAVG: 2801000 13.57 23.932 -72.156 21.6324 -1.20043 14.2985 -71.2945 17.2393 3.72425 TIMING: 2801000 CPU: 8351.78, 0.00299133/step Wall: 8351.78, 0.00299133/step, 1.8272 hours remaining, 207.246094 MB of memory in use. ENERGY: 2801000 803.2815 2148.8949 1913.0595 120.4191 -206137.5480 17808.1523 0.0000 0.0000 34226.3251 -149117.4156 298.9070 -183343.7407 -149017.5159 299.5471 -71.5076 -39.3621 558154.1575 5.1323 5.3646 PRESSURE: 2801200 -29.4181 126.899 102.411 126.899 163.251 -25.0257 102.413 -25.0255 -133.992 GPRESSURE: 2801200 -26.5071 145.157 84.0953 168.326 217.097 -166.354 161.265 25.1505 -84.4898 PRESSAVG: 2801200 -21.0365 -2.26721 -60.9772 -2.26725 -3.52977 -29.741 -60.9772 -29.7409 -17.8935 GPRESSAVG: 2801200 -21.1 -2.90066 -61.1539 -0.318687 -3.94491 -29.1019 -61.4112 -30.5139 -17.1697 TIMING: 2801200 CPU: 8352.37, 0.00297436/step Wall: 8352.37, 0.00297436/step, 1.81667 hours remaining, 207.246094 MB of memory in use. ENERGY: 2801200 730.8569 2124.1455 1952.9528 123.5035 -205989.4607 17600.6280 0.0000 0.0000 34426.5785 -149030.7955 300.6559 -183457.3739 -148938.7371 299.5648 -0.0529 35.3665 558204.4245 -14.1533 -14.0715 PRESSURE: 2801400 -95.7714 56.3556 155.836 56.3546 -203.8 -72.0211 155.835 -72.0217 229.699 GPRESSURE: 2801400 -56.1471 55.1693 198.101 5.69086 -156.573 -105.235 185.729 -34.2242 246.849 PRESSAVG: 2801400 -16.5993 23.41 -13.879 23.4099 -55.878 -27.4344 -13.8789 -27.4343 48.7888 GPRESSAVG: 2801400 -16.3515 24.5025 -13.9842 21.2987 -57.1933 -26.5466 -13.7946 -26.8988 49.6036 TIMING: 2801400 CPU: 8352.96, 0.00294771/step Wall: 8352.96, 0.00294771/step, 1.80023 hours remaining, 207.246094 MB of memory in use. ENERGY: 2801400 764.4502 2131.6894 1924.5120 123.9111 -206205.3955 17795.2466 0.0000 0.0000 34290.4965 -149175.0897 299.4674 -183465.5862 -149071.4624 300.1567 -23.2906 11.3762 557698.1393 -7.8961 -7.9804 PRESSURE: 2801600 32.5133 322.619 -103.19 322.618 -19.0063 111.379 -103.189 111.379 -88.2782 GPRESSURE: 2801600 128.951 198.663 -39.3168 324.577 41.305 145.557 -148.347 101.669 -148.728 PRESSAVG: 2801600 15.6434 15.8723 -77.8628 15.8723 -61.3751 -6.37879 -77.8628 -6.37865 18.1717 GPRESSAVG: 2801600 16.6448 14.644 -77.5154 16.4539 -60.217 -6.61044 -80.0739 -5.49806 15.7952 TIMING: 2801600 CPU: 8353.55, 0.00295115/step Wall: 8353.55, 0.00295115/step, 1.80217 hours remaining, 207.246094 MB of memory in use. ENERGY: 2801600 745.1550 2099.1557 1935.3718 114.1581 -206179.3929 17789.8342 0.0000 0.0000 34316.6593 -149179.0587 299.6959 -183495.7181 -149079.6012 299.6687 -24.9238 7.1760 557069.6533 -9.1867 -9.2590 PRESSURE: 2801800 112.952 42.86 2.78085 42.8592 -94.2677 109.437 2.78086 109.436 -176.47 GPRESSURE: 2801800 138.852 64.2759 -67.5826 78.3992 -101.305 66.6469 48.0488 207.239 -102.495 PRESSAVG: 2801800 96.812 23.95 -67.4588 23.9501 -27.0334 -1.11716 -67.4587 -1.11714 -18.6463 GPRESSAVG: 2801800 95.3563 24.8686 -68.8804 23.2304 -27.3811 -1.19641 -65.4425 -2.33722 -16.4032 TIMING: 2801800 CPU: 8354.14, 0.00295228/step Wall: 8354.14, 0.00295228/step, 1.8027 hours remaining, 207.246094 MB of memory in use. ENERGY: 2801800 744.4762 2116.2296 1932.7542 112.6814 -206004.9739 17628.5799 0.0000 0.0000 34193.1612 -149277.0914 298.6174 -183470.2527 -149180.7141 298.9337 -52.5949 -21.6494 557334.2398 17.0441 17.1907 PRESSURE: 2802000 136.463 -13.1532 125.639 -13.1533 23.695 150.096 125.638 150.096 -139.963 GPRESSURE: 2802000 155.357 -75.5796 58.1455 -5.19153 105.552 138.228 103.878 179.464 -139.191 PRESSAVG: 2802000 0.192031 11.6104 11.1179 11.6103 -6.93951 -4.25694 11.1178 -4.25685 17.3278 GPRESSAVG: 2802000 1.03083 10.6612 10.3222 13.4689 -6.59948 -4.0878 13.319 -5.36951 16.246 TIMING: 2802000 CPU: 8354.74, 0.00296337/step Wall: 8354.74, 0.00296337/step, 1.8093 hours remaining, 207.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2802000 759.8338 2069.7619 1945.7172 96.8038 -206556.0762 17985.3394 0.0000 0.0000 34294.8575 -149403.7625 299.5055 -183698.6200 -149300.9479 299.4468 6.7315 40.5726 556601.7229 3.5268 3.5591 PRESSURE: 2802200 -39.0362 97.7822 91.0682 97.7822 0.233185 93.1319 91.0699 93.1324 -42.697 GPRESSURE: 2802200 4.72016 94.4413 103.864 73.3515 51.9128 122.088 78.5607 69.231 -37.8751 PRESSAVG: 2802200 -6.045 35.4863 -20.765 35.4863 -15.3502 22.4868 -20.765 22.4868 24.4286 GPRESSAVG: 2802200 -6.22797 34.626 -19.8537 34.5581 -15.5996 21.8899 -22.5617 24.3368 24.5512 TIMING: 2802200 CPU: 8355.33, 0.00298382/step Wall: 8355.33, 0.00298382/step, 1.82162 hours remaining, 207.246094 MB of memory in use. ENERGY: 2802200 712.1180 2099.5772 1930.9507 121.4737 -206107.8493 17619.1146 0.0000 0.0000 34275.1432 -149349.4718 299.3334 -183624.6151 -149253.6532 299.4575 -27.1667 6.2526 555748.0379 1.0112 0.9079 PRESSURE: 2802400 157.252 132.385 27.7611 132.383 -154.259 -10.6158 27.7624 -10.617 -159.702 GPRESSURE: 2802400 178.09 78.2395 -45.668 83.9944 -125.137 -42.2876 74.077 -28.8512 -112.092 PRESSAVG: 2802400 45.3119 67.0572 -21.8078 67.0572 -31.2422 20.6045 -21.8078 20.6046 -8.61023 GPRESSAVG: 2802400 44.6229 67.6949 -23.0561 68.0927 -31.2245 20.3788 -20.6732 21.1222 -8.19587 TIMING: 2802400 CPU: 8355.93, 0.0029689/step Wall: 8355.93, 0.0029689/step, 1.81235 hours remaining, 207.246094 MB of memory in use. ENERGY: 2802400 726.2384 2094.8224 1928.6935 107.2551 -206116.0680 17682.7425 0.0000 0.0000 34224.5267 -149351.7894 298.8913 -183576.3161 -149255.2925 298.7085 -52.2365 -19.7131 557572.7473 1.8198 1.7342 PRESSURE: 2802600 23.9827 208.466 21.3496 208.465 -44.2654 116.359 21.3507 116.359 21.7197 GPRESSURE: 2802600 18.7136 183.041 6.98514 185.41 49.8296 151.009 37.4952 72.7417 23.705 PRESSAVG: 2802600 62.244 51.6487 16.8192 51.6487 -59.6559 22.6305 16.8192 22.6306 -1.24805 GPRESSAVG: 2802600 62.7537 50.1707 18.1955 50.5886 -59.6296 24.7232 16.8321 20.9637 -1.71371 TIMING: 2802600 CPU: 8356.52, 0.00297543/step Wall: 8356.52, 0.00297543/step, 1.81617 hours remaining, 207.246094 MB of memory in use. ENERGY: 2802600 766.1835 2043.8799 1936.2972 91.4383 -206271.9361 17836.3060 0.0000 0.0000 34234.3772 -149363.4541 298.9773 -183597.8313 -149268.0203 298.5766 0.4790 30.7494 555976.9233 0.4467 0.4701 PRESSURE: 2802800 -126.167 205.12 85.5943 205.12 149.437 -84.9702 85.595 -84.9702 -58.0257 GPRESSURE: 2802800 -76.7808 169.085 113.221 170.169 148.702 -105.887 28.3699 16.6625 -0.423587 PRESSAVG: 2802800 9.38907 65.4639 5.27535 65.4639 22.0444 -23.5575 5.27534 -23.5576 -68.2988 GPRESSAVG: 2802800 9.01635 66.2504 4.27712 67.1624 21.296 -24.7152 4.09199 -21.0623 -67.3279 TIMING: 2802800 CPU: 8357.11, 0.00295458/step Wall: 8357.11, 0.00295458/step, 1.80328 hours remaining, 207.246094 MB of memory in use. ENERGY: 2802800 732.9872 1992.6542 1933.3977 104.5734 -206045.4551 17671.0346 0.0000 0.0000 34125.4866 -149485.3214 298.0264 -183610.8080 -149387.5279 298.6271 -11.5852 23.8326 555851.3232 -12.2885 -12.3385 PRESSURE: 2803000 113.865 86.2496 -19.6211 86.2506 25.7089 18.4685 -19.6219 18.4665 135.863 GPRESSURE: 2803000 98.0155 82.1219 -3.30262 142.968 80.2826 24.5288 -26.8845 -76.7506 189.606 PRESSAVG: 2803000 28.2506 48.1178 15.7006 48.1178 -22.2626 35.4286 15.7006 35.4287 54.3183 GPRESSAVG: 2803000 29.4629 48.1163 16.0725 49.765 -22.2191 35.317 15.6483 34.7835 53.67 TIMING: 2803000 CPU: 8357.7, 0.00293973/step Wall: 8357.7, 0.00293973/step, 1.79405 hours remaining, 207.246094 MB of memory in use. ENERGY: 2803000 747.3759 2123.9102 1930.0649 109.3453 -206546.1757 17907.7914 0.0000 0.0000 34126.3296 -149601.3583 298.0337 -183727.6879 -149507.9412 298.3554 91.8122 122.6346 556053.7337 20.1021 20.3046 PRESSURE: 2803200 -58.6401 187.545 154.075 187.546 125.484 143.016 154.074 143.014 -164.381 GPRESSURE: 2803200 -22.213 135.739 184.71 163.156 148.009 85.0239 97.8772 56.507 -123.842 PRESSAVG: 2803200 -17.0518 39.5432 -19.9387 39.5433 1.75901 14.7338 -19.9386 14.7338 -10.8458 GPRESSAVG: 2803200 -18.7024 40.1305 -18.6861 36.8667 2.94187 15.6674 -17.7836 13.3203 -10.3866 TIMING: 2803200 CPU: 8358.29, 0.002929/step Wall: 8358.29, 0.002929/step, 1.78734 hours remaining, 207.246094 MB of memory in use. ENERGY: 2803200 736.4831 2085.2847 1958.9003 110.6769 -206727.3032 17892.4732 0.0000 0.0000 34263.4158 -149680.0693 299.2309 -183943.4851 -149581.9081 297.7324 -32.5123 0.6511 556385.0362 -8.7129 -8.7157 PRESSURE: 2803400 -131.823 100.178 -50.8679 100.178 -21.6302 70.4933 -50.8679 70.4926 -98.6418 GPRESSURE: 2803400 -144.266 8.5707 -57.2454 45.421 33.987 24 -39.4917 68.6375 -53.789 PRESSAVG: 2803400 48.5546 30.4048 13.9187 30.4047 -47.5044 52.9862 13.9187 52.9861 8.78074 GPRESSAVG: 2803400 49.5146 32.5312 13.05 28.8594 -46.7583 51.6862 11.6804 53.0457 7.83031 TIMING: 2803400 CPU: 8358.87, 0.00293615/step Wall: 8358.87, 0.00293615/step, 1.79154 hours remaining, 207.246094 MB of memory in use. ENERGY: 2803400 722.0446 2105.1938 1959.4430 119.9280 -206453.6039 17783.6406 0.0000 0.0000 34153.2480 -149610.1059 298.2688 -183763.3540 -149512.7715 298.3216 -84.0316 -54.6893 556808.6240 3.2770 3.5288 PRESSURE: 2803600 206.516 4.13853 11.9165 4.13977 219.278 -206.075 11.9164 -206.077 -351.41 GPRESSURE: 2803600 221.511 -18.9846 -24.7327 -97.1941 259.605 -235.652 -35.6281 -165.639 -307.995 PRESSAVG: 2803600 32.6589 24.444 -13.9224 24.444 11.3277 7.05836 -13.9224 7.05829 -68.1647 GPRESSAVG: 2803600 32.2227 21.897 -13.431 25.3047 10.2178 6.87014 -14.0613 7.79663 -66.21 TIMING: 2803600 CPU: 8359.46, 0.00293693/step Wall: 8359.46, 0.00293693/step, 1.79185 hours remaining, 207.246094 MB of memory in use. ENERGY: 2803600 740.6371 2113.1250 1925.3826 93.8784 -206478.9569 17983.2556 0.0000 0.0000 34069.9976 -149552.6806 297.5418 -183622.6783 -149459.3242 298.5224 24.7946 57.7070 558508.9090 -8.0594 -7.9231 PRESSURE: 2803800 58.7156 -31.1414 -92.2247 -31.1398 29.3595 28.6132 -92.2256 28.6144 -150.383 GPRESSURE: 2803800 130.466 -18.847 -46.3029 -54.4029 0.864485 -5.49012 -85.2363 44.7926 -101.011 PRESSAVG: 2803800 45.2681 11.9757 26.9244 11.9758 48.7158 -47.0493 26.9244 -47.0493 -53.4409 GPRESSAVG: 2803800 45.5832 12.8304 24.8153 11.7223 48.2362 -46.8771 28.4797 -46.2096 -53.0137 TIMING: 2803800 CPU: 8360.05, 0.00296054/step Wall: 8360.05, 0.00296054/step, 1.80609 hours remaining, 207.246094 MB of memory in use. ENERGY: 2803800 759.7467 2139.1745 1968.3030 113.8875 -206666.7849 18038.4192 0.0000 0.0000 34015.4794 -149631.7745 297.0656 -183647.2539 -149528.1078 297.9959 -20.7693 10.1065 557872.4666 13.5143 13.6019 PRESSURE: 2804000 107.581 74.739 -81.2815 74.7392 88.8453 -219.58 -81.2814 -219.582 -26.5495 GPRESSURE: 2804000 101.457 57.1508 -132.225 77.858 158.21 -230.462 -30.3798 -136.203 18.0863 PRESSAVG: 2804000 -45.7071 -9.44546 -45.8732 -9.44553 2.49833 -8.81175 -45.8732 -8.81163 -7.26142 GPRESSAVG: 2804000 -45.7163 -9.34726 -44.8725 -9.78034 4.06349 -8.60195 -45.9794 -10.784 -8.81927 TIMING: 2804000 CPU: 8360.65, 0.0029671/step Wall: 8360.65, 0.0029671/step, 1.80993 hours remaining, 207.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2804000 731.6988 2080.8695 1927.7003 109.8116 -206566.1993 17972.1672 0.0000 0.0000 34193.6383 -149550.3135 298.6215 -183743.9518 -149456.7740 297.8434 56.6257 92.5845 558651.9032 -16.8234 -16.8240 PRESSURE: 2804200 -311.997 -67.4144 17.2615 -67.4134 38.5717 31.8087 17.2601 31.8086 -246.812 GPRESSURE: 2804200 -305.306 -91.0185 -20.8377 37.7436 55.8316 14.0397 -3.13247 121.934 -174.72 PRESSAVG: 2804200 46.4575 -23.3939 -2.70741 -23.394 28.5229 -5.04929 -2.70746 -5.04917 -67.9606 GPRESSAVG: 2804200 45.5438 -22.6889 -2.17264 -22.965 28.3022 -4.63954 -2.90984 -5.15782 -67.3535 TIMING: 2804200 CPU: 8361.24, 0.00297249/step Wall: 8361.24, 0.00297249/step, 1.81305 hours remaining, 207.246094 MB of memory in use. ENERGY: 2804200 802.8349 2092.8481 1965.7473 114.9868 -206634.3713 17955.3268 0.0000 0.0000 34089.9962 -149612.6312 297.7164 -183702.6275 -149514.1308 298.6398 -173.4125 -141.3982 558258.7941 2.3399 2.1641 LDB: ============= START OF LOAD BALANCING ============== 8364.79 LDB: ============== END OF LOAD BALANCING =============== 8364.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8364.79 LDB: ============= START OF LOAD BALANCING ============== 8365.09 LDB: Largest compute 4773 load 0.028500 is 24.1% of average load 0.118209 LDB: Average compute 0.001738 is 1.5% of average load 0.118209 LDB: TIME 8365.09 LOAD: AVG 0.118209 MAX 0.203299 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 8365.09 LOAD: AVG 0.118209 MAX 0.203299 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: TIME 8365.09 LOAD: AVG 0.118209 MAX 0.203299 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8365.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8365.1 PRESSURE: 2804400 -5.02561 11.2641 -7.11308 11.2639 13.7587 74.2605 -7.11326 74.26 -211.3 GPRESSURE: 2804400 39.6581 88.2063 -34.5757 -109.821 62.1694 144.95 -49.3219 69.5983 -206.955 PRESSAVG: 2804400 1.79123 -22.8266 -53.1491 -22.8267 53.839 1.65683 -53.149 1.65695 -95.5469 GPRESSAVG: 2804400 3.22142 -21.9128 -53.5767 -23.8893 52.8984 2.23627 -53.0627 0.172941 -95.7544 TIMING: 2804400 CPU: 8361.85, 0.00304523/step Wall: 8361.85, 0.00304523/step, 1.85725 hours remaining, 207.304688 MB of memory in use. ENERGY: 2804400 755.2180 2126.9015 1956.8045 115.7094 -206689.9400 17919.5731 0.0000 0.0000 34107.6769 -149708.0566 297.8708 -183815.7335 -149610.1249 298.4617 -67.5224 -35.0426 556888.3279 -13.3055 -13.2115 PRESSURE: 2804600 304.861 -70.9144 62.8503 -70.9133 62.0124 77.1752 62.8505 77.1748 133.258 GPRESSURE: 2804600 301.384 -15.9604 102.939 -163.522 148.055 117.934 83.7112 81.013 156.204 PRESSAVG: 2804600 20.5516 18.1259 -68.8093 18.126 4.50319 26.2654 -68.8092 26.2654 -32.8574 GPRESSAVG: 2804600 19.9353 18.6863 -68.9341 17.3862 4.8339 25.385 -68.836 28.2576 -32.6538 TIMING: 2804600 CPU: 8362.44, 0.00293183/step Wall: 8362.44, 0.00293183/step, 1.78793 hours remaining, 207.503906 MB of memory in use. ENERGY: 2804600 777.2532 2061.6385 1941.9172 110.5892 -207006.9273 18088.0563 0.0000 0.0000 34178.5797 -149848.8932 298.4900 -184027.4729 -149749.6609 298.3943 166.7107 201.8813 554565.3183 -2.6009 -2.6282 PRESSURE: 2804800 -45.3445 53.1106 -6.79673 53.111 -58.3216 22.7529 -6.79687 22.7531 -163.607 GPRESSURE: 2804800 0.87885 116.337 46.2109 -33.764 -45.0298 14.7321 -96.1225 34.0758 -129.286 PRESSAVG: 2804800 2.08209 3.72417 -44.5882 3.72409 0.00942162 4.89344 -44.5882 4.89347 -36.2106 GPRESSAVG: 2804800 1.55189 0.613008 -42.5495 6.13003 0.113099 5.76802 -46.1518 4.64268 -35.8887 TIMING: 2804800 CPU: 8363.02, 0.00293795/step Wall: 8363.02, 0.00293795/step, 1.7915 hours remaining, 207.503906 MB of memory in use. ENERGY: 2804800 765.1191 2080.9338 1962.4619 123.8575 -206625.8209 17753.5303 0.0000 0.0000 34086.4182 -149853.5002 297.6852 -183939.9183 -149754.8871 298.2489 -89.0911 -57.8122 556050.5867 -11.3730 -11.4079 PRESSURE: 2805000 61.3451 -136.149 60.9241 -136.148 -124.725 32.6186 60.9231 32.6157 -131.019 GPRESSURE: 2805000 60.1245 -83.8243 65.1579 -180.642 -53.8204 47.0448 55.6468 43.488 -103.836 PRESSAVG: 2805000 26.6912 -2.90999 15.1409 -2.91009 -23.3402 11.2794 15.141 11.2795 -21.7157 GPRESSAVG: 2805000 26.7091 -0.957129 10.9458 -2.90575 -24.3769 10.9473 19.6086 10.7122 -20.7698 TIMING: 2805000 CPU: 8363.61, 0.00294862/step Wall: 8363.61, 0.00294862/step, 1.79784 hours remaining, 207.503906 MB of memory in use. ENERGY: 2805000 785.3154 2114.9220 1932.2036 108.2052 -206772.5017 17966.0127 0.0000 0.0000 34088.7576 -149777.0852 297.7056 -183865.8428 -149677.2099 298.0321 -64.7998 -32.5108 554549.2697 -6.1216 -6.1459 PRESSURE: 2805200 241.155 89.5991 236.295 89.5988 -414.39 -112.715 236.296 -112.714 -133.398 GPRESSURE: 2805200 250.286 131.791 278.156 109.05 -351.958 -63.3277 234.532 -199.085 -98.989 PRESSAVG: 2805200 33.7733 -33.7851 41.3565 -33.7851 18.1446 -90.8542 41.3566 -90.8542 -53.1206 GPRESSAVG: 2805200 33.4168 -32.9363 43.1938 -34.1602 20.2177 -88.2175 41.0319 -90.3052 -54.8158 TIMING: 2805200 CPU: 8364.2, 0.00294731/step Wall: 8364.2, 0.00294731/step, 1.79688 hours remaining, 207.761719 MB of memory in use. ENERGY: 2805200 751.9714 2106.1711 1932.4106 118.1724 -206529.4348 17560.2289 0.0000 0.0000 34202.9258 -149857.5548 298.7027 -184060.4805 -149747.6145 297.9541 -102.2110 -66.8870 556342.9849 -0.4009 -0.3938 PRESSURE: 2805400 -74.1998 91.7927 21.566 91.7916 -81.7332 -15.21 21.5655 -15.2101 -256.506 GPRESSURE: 2805400 -38.2904 117.116 32.1758 119.972 -22.2049 -61.1754 -19.4991 58.6435 -269.485 PRESSAVG: 2805400 13.6406 38.3156 6.80315 38.3156 3.76527 -8.77564 6.80316 -8.77551 -43.6249 GPRESSAVG: 2805400 12.625 38.21 7.63721 37.0652 3.47481 -12.7819 4.26853 -7.33072 -42.3112 TIMING: 2805400 CPU: 8364.79, 0.00294535/step Wall: 8364.79, 0.00294535/step, 1.79552 hours remaining, 207.761719 MB of memory in use. ENERGY: 2805400 746.3315 2103.4243 1948.8719 118.6381 -206290.3326 17457.8277 0.0000 0.0000 34165.8742 -149749.3650 298.3791 -183915.2392 -149652.6313 298.4248 -137.4798 -109.9935 556380.9094 -8.7397 -8.7371 PRESSURE: 2805600 3.56516 -12.5392 57.0041 -12.5396 236.723 43.9542 57.0039 43.9527 14.769 GPRESSURE: 2805600 8.56759 39.8272 18.863 10.6464 221.427 94.4535 67.8555 61.3892 118.083 PRESSAVG: 2805600 21.2015 36.4026 -10.7227 36.4026 45.3633 -11.6204 -10.7226 -11.6204 -44.7978 GPRESSAVG: 2805600 22.0811 35.4292 -12.8876 36.8363 45.0332 -11.2953 -9.84703 -11.8866 -45.3481 TIMING: 2805600 CPU: 8365.38, 0.00294718/step Wall: 8365.38, 0.00294718/step, 1.79647 hours remaining, 207.761719 MB of memory in use. ENERGY: 2805600 761.9910 2008.4027 1946.3674 112.1921 -206319.9919 17936.0388 0.0000 0.0000 34004.3685 -149550.6315 296.9686 -183555.0000 -149451.9280 297.4750 85.0192 116.0259 555579.8346 7.2557 7.2554 PRESSURE: 2805800 301.948 136.11 -20.4143 136.108 -24.8398 173.786 -20.4147 173.786 283.568 GPRESSURE: 2805800 358.831 176.361 9.80886 80.5142 -5.62801 217.35 -76.0933 168.625 314.252 PRESSAVG: 2805800 -17.5427 -27.5002 -24.1829 -27.5003 -24.1849 62.5871 -24.1828 62.5869 62.3563 GPRESSAVG: 2805800 -17.4332 -27.9701 -21.8753 -28.0133 -24.4791 63.7427 -25.9045 59.8577 63.3415 TIMING: 2805800 CPU: 8365.97, 0.0029648/step Wall: 8365.97, 0.0029648/step, 1.80704 hours remaining, 207.761719 MB of memory in use. ENERGY: 2805800 739.1812 2087.2456 1913.9226 95.8778 -206826.7288 17998.6667 0.0000 0.0000 34335.5125 -149656.3223 299.8606 -183991.8348 -149553.4788 298.8582 186.8919 222.4853 555615.5031 6.8762 7.1430 PRESSURE: 2806000 141.619 84.6734 151.53 84.6743 -22.2277 106.198 151.531 106.198 103.79 GPRESSURE: 2806000 171.547 112.101 99.1219 3.7972 -29.4187 42.9203 178.848 61.1107 171.29 PRESSAVG: 2806000 56.836 -4.54001 26.2322 -4.53997 -56.7665 13.7172 26.2323 13.7172 -4.20782 GPRESSAVG: 2806000 57.7271 -4.39685 26.882 -4.28619 -56.965 10.5378 26.5211 15.3939 -5.52979 TIMING: 2806000 CPU: 8366.57, 0.00297757/step Wall: 8366.57, 0.00297757/step, 1.81466 hours remaining, 207.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2806000 740.0054 2103.0030 1942.9299 121.5975 -206715.8223 18016.7534 0.0000 0.0000 34179.0772 -149612.4560 298.4944 -183791.5331 -149526.3731 298.5988 74.3937 104.4731 556186.7279 -1.3795 -1.5892 PRESSURE: 2806200 -185.94 -23.7325 41.9692 -23.7313 -450.204 -24.2935 41.9696 -24.2939 -215.067 GPRESSURE: 2806200 -145.235 14.1576 71.9515 -20.4128 -452.956 12.0564 -28.6038 -124.058 -147.068 PRESSAVG: 2806200 -3.07334 -43.1066 49.2469 -43.1065 -39.522 -23.8813 49.247 -23.8814 52.8127 GPRESSAVG: 2806200 -3.09505 -42.3222 49.148 -43.5082 -39.065 -20.2434 48.4308 -25.0981 51.7241 TIMING: 2806200 CPU: 8367.16, 0.00295085/step Wall: 8367.16, 0.00295085/step, 1.79822 hours remaining, 207.761719 MB of memory in use. ENERGY: 2806200 794.4443 2035.6956 1921.9155 110.8032 -206188.1069 17580.0871 0.0000 0.0000 34130.9526 -149614.2087 298.0741 -183745.1612 -149515.9984 298.4300 -283.7371 -248.4200 558611.7075 3.4058 3.1880 PRESSURE: 2806400 38.105 -103.282 -53.3293 -103.282 -17.7521 -81.5667 -53.3284 -81.5673 134.237 GPRESSURE: 2806400 58.9536 -98.5899 37.6564 -92.656 -0.0607076 -73.152 -13.4895 -88.0247 187.006 PRESSAVG: 2806400 -29.6668 31.6076 27.0319 31.6076 -28.0958 -14.3902 27.0318 -14.3902 14.5151 GPRESSAVG: 2806400 -29.5191 31.3637 26.6621 31.3142 -28.4848 -17.4497 26.8126 -12.007 14.9967 TIMING: 2806400 CPU: 8367.75, 0.00295831/step Wall: 8367.75, 0.00295831/step, 1.80259 hours remaining, 207.761719 MB of memory in use. ENERGY: 2806400 745.4768 2094.3438 1951.9597 115.9670 -206570.0797 17906.5440 0.0000 0.0000 34057.6178 -149698.1705 297.4336 -183755.7883 -149601.7981 298.0859 51.5299 81.9662 555599.6792 -14.4158 -14.3358 PRESSURE: 2806600 4.64257 115.5 168.129 115.5 143.551 -130.026 168.13 -130.026 -58.8201 GPRESSURE: 2806600 82.9432 207.517 159.861 59.0941 176.496 -147.693 106.551 -110.995 -76.5797 PRESSAVG: 2806600 19.1717 -15.6919 0.493789 -15.6919 33.7039 -36.4353 0.493791 -36.4354 24.4295 GPRESSAVG: 2806600 19.1077 -18.433 0.127735 -14.5183 33.5661 -35.8711 0.705953 -38.3151 24.4515 TIMING: 2806600 CPU: 8368.35, 0.00297639/step Wall: 8368.35, 0.00297639/step, 1.81345 hours remaining, 207.761719 MB of memory in use. ENERGY: 2806600 737.4465 2050.5948 1961.2365 102.0957 -206619.9188 17872.6777 0.0000 0.0000 34144.8204 -149751.0473 298.1952 -183895.8676 -149650.8733 297.7596 29.7912 60.9532 557215.2265 25.7684 25.7084 PRESSURE: 2806800 10.3342 -21.4318 13.5428 -21.4303 -192.884 26.6744 13.5432 26.6756 -132.162 GPRESSURE: 2806800 3.35462 28.8125 21.4759 -121.948 -177.83 20.2528 -111.589 -25.3029 -41.6736 PRESSAVG: 2806800 -23.5669 77.1904 60.5506 77.1904 25.3588 -48.41 60.5505 -48.4099 36.8369 GPRESSAVG: 2806800 -23.7619 77.9158 60.5702 78.0202 25.8997 -45.7996 61.049 -49.4009 36.8171 TIMING: 2806800 CPU: 8368.94, 0.00295232/step Wall: 8368.94, 0.00295232/step, 1.79862 hours remaining, 207.761719 MB of memory in use. ENERGY: 2806800 728.5723 2138.4374 1940.1522 110.3302 -206594.3472 17709.9040 0.0000 0.0000 34074.4985 -149892.4526 297.5811 -183966.9511 -149791.0038 297.7974 -104.9039 -72.0496 556874.2415 12.8763 12.9850 PRESSURE: 2807000 106.583 79.7505 -9.25655 79.75 -102.624 33.8145 -9.25645 33.8174 -336.679 GPRESSURE: 2807000 59.5918 18.5263 28.2327 108.319 -77.6382 -23.0915 -5.92446 43.2434 -216.502 PRESSAVG: 2807000 98.4111 3.8912 -5.28492 3.89117 -19.4716 -37.2789 -5.28495 -37.2789 -26.0792 GPRESSAVG: 2807000 97.4431 4.11249 -4.2149 3.2293 -19.5308 -38.0803 -3.39711 -37.3229 -24.3675 TIMING: 2807000 CPU: 8369.53, 0.00296296/step Wall: 8369.53, 0.00296296/step, 1.80494 hours remaining, 207.761719 MB of memory in use. ENERGY: 2807000 771.2916 2080.3295 1946.5871 114.5202 -206276.7406 17789.2348 0.0000 0.0000 33914.1407 -149660.6367 296.1806 -183574.7774 -149566.1979 297.8291 -110.9068 -78.1830 557617.6422 17.6201 17.8483 PRESSURE: 2807200 -24.5412 38.5767 -44.1935 38.5769 -159.738 -27.7896 -44.1943 -27.7903 19.6896 GPRESSURE: 2807200 2.22526 26.2222 -88.1447 -12.689 -102.197 -55.0498 -19.508 -29.5746 38.8881 PRESSAVG: 2807200 -53.2883 -28.5751 48.0977 -28.5752 97.8154 2.35893 48.0977 2.35882 -44.1357 GPRESSAVG: 2807200 -53.2636 -27.8809 46.0511 -29.4765 97.9061 1.76532 46.1613 3.89766 -44.5356 TIMING: 2807200 CPU: 8370.12, 0.00292963/step Wall: 8370.12, 0.00292963/step, 1.78447 hours remaining, 207.761719 MB of memory in use. ENERGY: 2807200 706.2137 2117.5361 1922.6268 118.6807 -206208.4084 17779.4055 0.0000 0.0000 34035.7279 -149528.2177 297.2425 -183563.9456 -149427.4088 297.9179 -54.8632 -20.3613 558860.3717 0.1305 0.0357 PRESSURE: 2807400 91.8309 -159.786 -12.592 -159.786 3.77322 177.765 -12.5927 177.766 -80.3274 GPRESSURE: 2807400 138.755 -107.529 -67.4229 -139.225 45.9774 235.546 -59.2368 157.519 -68.113 PRESSAVG: 2807400 46.9302 17.6384 -25.9145 17.6384 11.6993 -14.9726 -25.9145 -14.9725 -64.5803 GPRESSAVG: 2807400 47.4204 19.5719 -24.7165 18.2364 11.1532 -14.2779 -26.8137 -15.9568 -63.7463 TIMING: 2807400 CPU: 8370.71, 0.00295489/step Wall: 8370.71, 0.00295489/step, 1.79969 hours remaining, 207.761719 MB of memory in use. ENERGY: 2807400 761.9004 2104.6121 1944.4447 115.7322 -206467.2843 17962.7067 0.0000 0.0000 33932.2271 -149645.6611 296.3386 -183577.8882 -149557.0734 297.8546 5.0922 38.8732 556843.3053 -1.9836 -1.7242 PRESSURE: 2807600 -237.442 -121.096 -8.42012 -121.096 -339.9 -164.444 -8.41931 -164.443 -307.859 GPRESSURE: 2807600 -200.773 -142.382 -16.3435 -121.053 -312.063 -45.8445 -62.6792 -265.451 -276.172 PRESSAVG: 2807600 -43.1297 5.56479 -30.1209 5.56481 30.5236 10.8368 -30.121 10.8367 23.3729 GPRESSAVG: 2807600 -42.2751 3.15243 -29.9382 6.15658 30.3013 10.1639 -28.4638 11.4843 22.3812 TIMING: 2807600 CPU: 8371.3, 0.00296596/step Wall: 8371.3, 0.00296596/step, 1.80627 hours remaining, 207.761719 MB of memory in use. ENERGY: 2807600 783.5071 2117.0936 1914.8398 122.5187 -206063.3573 17391.6437 0.0000 0.0000 34111.2203 -149622.5341 297.9018 -183733.7545 -149531.3584 298.3903 -295.0670 -263.0026 556771.9392 3.5890 3.4691 PRESSURE: 2807800 49.2147 72.0975 -4.69422 72.0969 -18.1797 75.8785 -4.69363 75.8785 -21.47 GPRESSURE: 2807800 79.5873 9.67423 -85.6785 85.1475 -53.559 -5.99374 54.9951 129.59 82.7764 PRESSAVG: 2807800 4.14584 64.7949 -44.2732 64.7948 23.7063 -40.8516 -44.2733 -40.8517 -52.543 GPRESSAVG: 2807800 3.63177 64.8575 -45.9637 64.1342 24.2817 -40.3591 -43.8332 -42.1161 -53.4973 TIMING: 2807800 CPU: 8371.89, 0.00296788/step Wall: 8371.89, 0.00296788/step, 1.80727 hours remaining, 207.761719 MB of memory in use. ENERGY: 2807800 767.6921 2041.8711 1917.2796 113.9572 -206179.4496 17653.5059 0.0000 0.0000 34188.1641 -149496.9796 298.5737 -183685.1437 -149399.9007 298.3879 3.1883 36.2682 557164.1829 -8.2303 -8.5279 PRESSURE: 2808000 -52.8094 -50.3752 -2.03347 -50.3763 -26.6052 -79.4105 -2.03339 -79.4107 95.4995 GPRESSURE: 2808000 -28.5082 -60.7173 2.88721 -7.05267 -16.491 -67.5417 -39.3882 -51.0933 153.665 PRESSAVG: 2808000 -29.5474 6.56042 -29.5023 6.56031 22.7965 -37.6902 -29.5023 -37.6902 48.702 GPRESSAVG: 2808000 -29.6337 7.75123 -28.0106 7.11072 21.5142 -38.5052 -29.4723 -36.4324 49.4409 TIMING: 2808000 CPU: 8372.49, 0.00296228/step Wall: 8372.49, 0.00296228/step, 1.8037 hours remaining, 207.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2808000 750.4939 2117.1462 1930.5249 115.2119 -206473.3900 17778.2971 0.0000 0.0000 34403.8822 -149377.8338 300.4577 -183781.7160 -149284.3467 298.6966 5.3616 36.2220 556306.1167 13.9837 13.7738 PRESSURE: 2808200 -5.05668 12.7339 97.432 12.7341 -149.05 -175.871 97.4333 -175.87 14.3116 GPRESSURE: 2808200 24.9895 -56.9186 111.012 48.2612 -136.262 -216.034 65.0155 -189.112 66.0782 PRESSAVG: 2808200 -12.7249 -5.88343 -13.9452 -5.88347 37.2845 -49.9867 -13.9453 -49.9866 -11.8767 GPRESSAVG: 2808200 -14.6545 -6.3716 -13.8882 -5.25385 38.7316 -48.6946 -14.7478 -51.5698 -11.9048 TIMING: 2808200 CPU: 8373.08, 0.00299321/step Wall: 8373.08, 0.00299321/step, 1.82237 hours remaining, 207.761719 MB of memory in use. ENERGY: 2808200 734.2635 2081.1482 1927.4290 111.0788 -206312.7711 17708.9783 0.0000 0.0000 34349.9670 -149399.9062 299.9868 -183749.8732 -149301.4195 298.6563 -46.5984 -15.0648 555424.8880 4.2276 4.0574 LDB: ============= START OF LOAD BALANCING ============== 8376.63 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8376.63 LDB: =============== DONE WITH MIGRATION ================ 8376.63 LDB: ============= START OF LOAD BALANCING ============== 8376.93 LDB: Largest compute 4773 load 0.026806 is 22.7% of average load 0.118215 LDB: Average compute 0.001744 is 1.5% of average load 0.118215 LDB: TIME 8376.94 LOAD: AVG 0.118215 MAX 0.203414 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.824 MB LDB: TIME 8376.94 LOAD: AVG 0.118215 MAX 0.203414 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.914 MB LDB: TIME 8376.94 LOAD: AVG 0.118215 MAX 0.203414 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.914 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8376.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8376.94 PRESSURE: 2808400 -48.4201 102.739 -71.3334 102.74 250.829 75.4889 -71.3329 75.4879 117.889 GPRESSURE: 2808400 28.5224 153.847 -129.623 5.9378 230.159 57.4856 -13.0641 49.4997 172.404 PRESSAVG: 2808400 -6.27474 -19.1504 25.8051 -19.1505 -35.4347 -48.4543 25.8052 -48.4542 35.2822 GPRESSAVG: 2808400 -4.69616 -21.532 25.5694 -17.8336 -36.8989 -50.1626 27.149 -48.2022 35.3817 TIMING: 2808400 CPU: 8373.69, 0.00304497/step Wall: 8373.69, 0.00304497/step, 1.85371 hours remaining, 208.488281 MB of memory in use. ENERGY: 2808400 743.6088 2064.6704 1950.7086 117.7965 -206769.8417 18052.2943 0.0000 0.0000 34335.1845 -149505.5786 299.8577 -183840.7631 -149409.3977 298.4804 106.7661 143.6954 555303.7465 -2.1424 -2.0711 PRESSURE: 2808600 -106.382 -17.4848 144.731 -17.4862 44.2768 -268.099 144.73 -268.1 -308.797 GPRESSURE: 2808600 -56.9356 -28.0968 134.575 4.32079 43.0425 -239.296 88.072 -189.24 -268.15 PRESSAVG: 2808600 -44.962 -14.9238 61.7208 -14.9238 41.3105 -7.3967 61.7209 -7.39674 20.6713 GPRESSAVG: 2808600 -46.0485 -13.6836 63.419 -16.6933 41.2276 -6.62261 61.0263 -7.03977 21.3477 TIMING: 2808600 CPU: 8374.29, 0.00297634/step Wall: 8374.29, 0.00297634/step, 1.81177 hours remaining, 208.488281 MB of memory in use. ENERGY: 2808600 754.0800 2153.1611 1947.6847 122.0034 -206395.6883 17641.5283 0.0000 0.0000 34165.9529 -149611.2779 298.3798 -183777.2307 -149509.0396 298.4539 -123.6341 -94.0144 557681.6733 5.6733 5.5089 PRESSURE: 2808800 173.452 15.3328 47.1862 15.334 55.6366 101.9 47.1861 101.901 19.7232 GPRESSURE: 2808800 170.412 14.2614 15.2435 -21.1777 168.619 90.3051 40.1867 -9.8087 2.55526 PRESSAVG: 2808800 -9.44798 -9.26244 46.6994 -9.26245 3.21317 33.162 46.6995 33.162 30.5016 GPRESSAVG: 2808800 -9.78749 -7.93653 46.0632 -9.68988 3.25276 32.7646 47.9936 33.7001 30.7944 TIMING: 2808800 CPU: 8374.89, 0.0029975/step Wall: 8374.89, 0.0029975/step, 1.82448 hours remaining, 208.488281 MB of memory in use. ENERGY: 2808800 742.1083 2064.4774 1936.4444 117.6668 -206510.1894 17886.7244 0.0000 0.0000 34165.5136 -149597.2545 298.3759 -183762.7681 -149494.1945 298.0645 82.9371 113.8621 556622.1881 8.0889 8.0866 PRESSURE: 2809000 -29.9853 -9.48855 37.7458 -9.48714 -11.8971 -131.875 37.7472 -131.875 -259.739 GPRESSURE: 2809000 -41.3122 0.74602 84.1278 14.4067 49.3199 -176.269 126.53 -107.855 -215.577 PRESSAVG: 2809000 48.3771 13.2178 -25.3369 13.2179 -2.86763 -47.5217 -25.3369 -47.5217 -32.1174 GPRESSAVG: 2809000 49.3337 12.8841 -26.1461 14.0365 -3.05385 -48.4989 -26.5048 -50.1791 -32.9167 TIMING: 2809000 CPU: 8375.49, 0.00300255/step Wall: 8375.49, 0.00300255/step, 1.82739 hours remaining, 208.488281 MB of memory in use. ENERGY: 2809000 759.1769 2097.0023 1935.6817 123.5573 -206656.7201 17939.8899 0.0000 0.0000 34252.7137 -149548.6982 299.1375 -183801.4119 -149455.1010 298.8250 -100.5406 -69.1899 557581.4976 4.4640 4.4544 PRESSURE: 2809200 165.939 -90.9164 -7.86362 -90.9168 -192.35 87.1503 -7.86438 87.1523 22.0623 GPRESSURE: 2809200 200.255 -48.4673 31.0943 -59.5551 -137.591 45.5864 -169.137 88.6049 30.089 PRESSAVG: 2809200 2.51177 23.7642 -5.95717 23.7642 -23.188 -4.2602 -5.95716 -4.2602 33.1248 GPRESSAVG: 2809200 2.22159 22.9628 -5.9115 23.2844 -22.6703 -3.0421 -6.40149 -2.51594 32.8096 TIMING: 2809200 CPU: 8376.08, 0.00295563/step Wall: 8376.08, 0.00295563/step, 1.79867 hours remaining, 208.488281 MB of memory in use. ENERGY: 2809200 743.5275 2117.8701 1933.8089 107.7611 -206654.4642 18004.7747 0.0000 0.0000 34174.7244 -149571.9975 298.4564 -183746.7219 -149479.8392 298.2208 -1.4497 30.9176 557134.5267 4.1495 4.1203 PRESSURE: 2809400 -52.0795 3.05708 -2.76703 3.05672 -191.935 122.617 -2.76678 122.616 -40.1399 GPRESSURE: 2809400 -2.56625 -111.63 -41.0616 86.853 -184.128 109.941 -12.3382 247.78 14.5217 PRESSAVG: 2809400 -32.4564 31.1275 10.1245 31.1275 -11.1533 3.34571 10.1245 3.34575 28.1098 GPRESSAVG: 2809400 -32.0962 31.5291 10.0099 31.1956 -11.4932 2.41391 10.2592 2.7176 28.4152 TIMING: 2809400 CPU: 8376.67, 0.00296844/step Wall: 8376.67, 0.00296844/step, 1.8063 hours remaining, 208.488281 MB of memory in use. ENERGY: 2809400 776.7506 2109.1453 1919.7423 114.8305 -206364.2173 17844.8420 0.0000 0.0000 34074.9864 -149523.9201 297.5853 -183598.9065 -149425.6813 298.5664 -94.7182 -57.3908 557684.4045 -5.1666 -5.0581 PRESSURE: 2809600 66.8366 48.7171 69.8143 48.7164 -53.7812 -66.6251 69.8158 -66.6247 -17.9274 GPRESSURE: 2809600 87.8 138.477 69.4805 31.1646 1.03783 -56.6912 30.8734 -41.4765 8.33117 PRESSAVG: 2809600 67.0642 -35.3119 31.9029 -35.3119 53.4781 5.61188 31.9028 5.61183 -82.6424 GPRESSAVG: 2809600 66.8928 -35.2009 33.8724 -34.8527 54.7202 4.09214 32.2492 6.65177 -83.2061 TIMING: 2809600 CPU: 8377.27, 0.00296705/step Wall: 8377.27, 0.00296705/step, 1.80529 hours remaining, 208.488281 MB of memory in use. ENERGY: 2809600 780.7323 2056.1610 1931.0296 109.7038 -206727.3228 17874.2830 0.0000 0.0000 34410.7790 -149564.6342 300.5179 -183975.4132 -149468.0996 297.6263 -1.6240 32.3897 556539.1900 12.6333 12.8023 PRESSURE: 2809800 49.9979 14.3285 -111.25 14.3297 -13.2661 -20.8034 -111.25 -20.8064 49.5832 GPRESSURE: 2809800 70.2136 86.1201 -107.555 -59.6841 -11.9517 3.38719 -168.912 -81.7171 135.728 PRESSAVG: 2809800 -50.614 -21.6902 -27.9152 -21.6902 -22.1734 10.3826 -27.9152 10.3824 54.5807 GPRESSAVG: 2809800 -50.3201 -23.5146 -29.646 -20.0225 -22.955 10.7395 -27.9909 10.834 55.3639 TIMING: 2809800 CPU: 8377.86, 0.00294065/step Wall: 8377.86, 0.00294065/step, 1.78906 hours remaining, 208.488281 MB of memory in use. ENERGY: 2809800 763.3142 2105.6874 1946.5561 104.4116 -206780.3686 18114.5459 0.0000 0.0000 34195.5338 -149550.3197 298.6381 -183745.8535 -149459.8342 298.1437 28.7717 64.6632 557083.4444 -6.0689 -5.9704 PRESSURE: 2810000 -55.9105 -94.2666 2.8616 -94.2664 111.303 17.2618 2.86218 17.2624 110.662 GPRESSURE: 2810000 -56.9875 -146.524 66.3831 -28.7454 102.954 -27.6618 -23.6968 55.4558 213.278 PRESSAVG: 2810000 -17.4343 -68.8983 -18.5182 -68.8984 31.9404 51.6894 -18.5181 51.6893 4.87851 GPRESSAVG: 2810000 -17.144 -68.5574 -19.5163 -71.7043 32.1666 51.152 -18.3718 49.652 3.87096 TIMING: 2810000 CPU: 8378.44, 0.00293595/step Wall: 8378.44, 0.00293595/step, 1.78604 hours remaining, 208.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2810000 746.8871 2065.1861 1943.9637 130.1879 -206666.0734 17916.5560 0.0000 0.0000 34235.2558 -149628.0369 298.9850 -183863.2927 -149523.8436 298.4917 55.3516 86.4148 557180.0273 6.4616 6.2978 PRESSURE: 2810200 -19.7846 -55.3074 265.944 -55.3075 -13.6448 37.1314 265.944 37.1312 164.07 GPRESSURE: 2810200 -24.0448 -47.6593 284.75 -165.016 41.8906 148.602 181.187 43.2914 207.503 PRESSAVG: 2810200 5.2059 -35.9711 36.7202 -35.971 -46.6455 45.9237 36.7201 45.9236 31.8817 GPRESSAVG: 2810200 4.7513 -34.6028 36.8785 -34.767 -47.7469 47.4245 36.9026 46.9639 33.1217 TIMING: 2810200 CPU: 8379.03, 0.00295836/step Wall: 8379.03, 0.00295836/step, 1.7995 hours remaining, 208.691406 MB of memory in use. ENERGY: 2810200 755.5678 2053.7884 1932.0762 119.1139 -206354.0085 17754.6861 0.0000 0.0000 34124.8779 -149613.8982 298.0210 -183738.7762 -149515.8035 297.6067 43.5470 75.1163 555879.9733 -3.1860 -3.2913 PRESSURE: 2810400 18.3166 23.9172 167.754 23.9179 -137.829 121.468 167.753 121.468 87.8788 GPRESSURE: 2810400 41.5488 -47.4202 126.101 74.3041 -106.597 162.722 202.125 34.2847 136.612 PRESSAVG: 2810400 -6.58396 2.47127 63.6593 2.47125 -1.23341 42.1554 63.6593 42.1555 5.38417 GPRESSAVG: 2810400 -6.56889 2.53456 61.6704 1.84585 -0.741827 40.426 65.708 42.053 5.10701 TIMING: 2810400 CPU: 8379.62, 0.00294481/step Wall: 8379.62, 0.00294481/step, 1.7911 hours remaining, 208.691406 MB of memory in use. ENERGY: 2810400 758.1602 2051.9981 1949.5373 118.8044 -206489.6706 17919.4176 0.0000 0.0000 34099.2678 -149592.4852 297.7974 -183691.7530 -149488.3272 297.7972 -10.5445 23.8544 558213.6786 -0.8111 -0.7346 PRESSURE: 2810600 -117.595 304.719 -191.906 304.718 -131.455 -117.318 -191.906 -117.319 -173.818 GPRESSURE: 2810600 -80.3651 216.006 -163.942 326.557 -99.1818 -104.242 -117.774 -66.9639 -148.862 PRESSAVG: 2810600 -0.515221 13.0807 -6.05871 13.0808 -64.6036 26.7222 -6.05875 26.7222 72.5485 GPRESSAVG: 2810600 -1.16065 12.6117 -3.1732 14.4831 -64.7396 29.7315 -6.8077 24.9682 72.788 TIMING: 2810600 CPU: 8380.21, 0.00295924/step Wall: 8380.21, 0.00295924/step, 1.79971 hours remaining, 208.691406 MB of memory in use. ENERGY: 2810600 721.4863 2062.6604 1941.5582 116.5787 -206269.1283 17667.0218 0.0000 0.0000 34182.3244 -149577.4984 298.5227 -183759.8229 -149475.5199 298.1525 -140.9556 -109.4696 558579.3012 2.4766 2.2959 PRESSURE: 2810800 16.7136 58.3451 121.613 58.3458 59.7128 115.784 121.613 115.784 -277.478 GPRESSURE: 2810800 4.87947 69.1498 129.502 112.319 98.0376 -2.30261 11.693 138.087 -199.877 PRESSAVG: 2810800 31.1268 6.31067 -60.8962 6.31066 -17.1077 3.6911 -60.8961 3.69116 41.7217 GPRESSAVG: 2810800 31.1059 3.29658 -60.3581 8.45959 -16.7044 -1.42539 -60.5992 6.00402 41.1514 TIMING: 2810800 CPU: 8380.8, 0.0029352/step Wall: 8380.8, 0.0029352/step, 1.78493 hours remaining, 208.757812 MB of memory in use. ENERGY: 2810800 726.3211 2087.2477 1914.7252 105.3523 -206247.9433 17703.3046 0.0000 0.0000 34200.5187 -149510.4738 298.6816 -183710.9925 -149416.1498 298.4240 -67.0173 -32.3200 557322.6539 18.5803 18.5176 PRESSURE: 2811000 24.8171 -142.645 105.143 -142.646 -43.6405 34.6215 105.143 34.6212 -59.1561 GPRESSURE: 2811000 62.5838 -227.548 49.1606 -117.144 -30.7476 24.0433 184.428 36.531 -15.2929 PRESSAVG: 2811000 98.734 -32.2179 47.4274 -32.2178 -50.947 57.9917 47.4275 57.9917 -65.0314 GPRESSAVG: 2811000 99.9386 -30.8909 45.2143 -33.895 -51.5276 60.7693 48.1029 56.2869 -65.6584 TIMING: 2811000 CPU: 8381.39, 0.00292539/step Wall: 8381.39, 0.00292539/step, 1.7788 hours remaining, 208.816406 MB of memory in use. ENERGY: 2811000 767.5075 2116.4581 1905.3632 116.8550 -206419.1679 17783.5421 0.0000 0.0000 34205.0936 -149524.3483 298.7216 -183729.4419 -149424.2114 299.0579 -25.9932 5.5144 559053.5840 -5.7481 -5.7491 PRESSURE: 2811200 29.6427 -181.383 85.6884 -181.383 141.426 81.3699 85.6893 81.3713 -288.612 GPRESSURE: 2811200 79.2312 -126.775 5.56227 -193.662 121.221 107.075 44.9918 123.245 -214.777 PRESSAVG: 2811200 49.729 -24.7138 -0.721187 -24.7137 -4.7315 1.47234 -0.72116 1.47233 -73.672 GPRESSAVG: 2811200 50.0525 -22.1891 0.483534 -26.4208 -4.73991 3.51018 -2.52637 1.15743 -74.018 TIMING: 2811200 CPU: 8381.97, 0.00290749/step Wall: 8381.97, 0.00290749/step, 1.76775 hours remaining, 208.816406 MB of memory in use. ENERGY: 2811200 735.3049 2065.0623 1920.3489 114.9055 -206788.4162 17895.7245 0.0000 0.0000 34511.1162 -149545.9540 301.3942 -184057.0702 -149453.7496 298.3751 -39.1809 -4.7749 557030.6803 -9.5582 -9.5685 PRESSURE: 2811400 -19.4329 68.8778 25.3889 68.8774 239.354 24.3593 25.3877 24.3586 196.428 GPRESSURE: 2811400 7.74708 92.1525 30.1443 110.548 281.63 106.248 73.9255 -36.2073 238.023 PRESSAVG: 2811400 20.1392 -8.2761 58.3417 -8.27612 29.8941 18.3717 58.3417 18.3716 8.29552 GPRESSAVG: 2811400 19.0389 -8.87629 56.897 -7.96483 31.0021 16.5778 59.6344 19.287 8.4528 TIMING: 2811400 CPU: 8382.55, 0.00290727/step Wall: 8382.55, 0.00290727/step, 1.76746 hours remaining, 208.816406 MB of memory in use. ENERGY: 2811400 732.6756 2170.0175 1930.2354 101.8878 -206764.6424 18306.3637 0.0000 0.0000 33993.3413 -149530.1212 296.8723 -183523.4625 -149438.2018 298.9237 138.7829 175.8001 559051.4751 19.4429 19.4980 PRESSURE: 2811600 -28.6977 248.708 -113.896 248.708 84.1164 -41.3835 -113.896 -41.3834 73.6303 GPRESSURE: 2811600 77.4927 224.838 -166.112 204.137 58.7129 -31.3785 -77.5917 13.6521 104.223 PRESSAVG: 2811600 -30.938 -19.9492 -15.2296 -19.9492 34.2409 -34.1259 -15.2295 -34.126 38.9903 GPRESSAVG: 2811600 -29.7084 -21.6767 -15.4286 -20.1504 33.124 -33.2383 -14.9979 -34.369 38.8046 TIMING: 2811600 CPU: 8383.13, 0.00292037/step Wall: 8383.13, 0.00292037/step, 1.77526 hours remaining, 208.816406 MB of memory in use. ENERGY: 2811600 724.5905 2120.1151 1903.2705 107.6167 -206724.6901 17916.7251 0.0000 0.0000 34322.0211 -149630.3512 299.7427 -183952.3723 -149537.6529 298.2752 43.0163 80.1430 558234.8282 14.0977 14.0734 PRESSURE: 2811800 22.4052 10.3633 140.68 10.3625 -57.6908 162.498 140.679 162.499 -62.2989 GPRESSURE: 2811800 14.3875 -11.7624 147.616 25.4471 37.6018 79.4044 108.884 212.656 -50.4399 PRESSAVG: 2811800 22.6316 21.2091 13.6766 21.2091 -40.8515 -32.929 13.6766 -32.929 -7.52655 GPRESSAVG: 2811800 21.5736 22.4656 14.3031 21.4508 -39.5417 -33.8382 13.2944 -33.6337 -7.16244 TIMING: 2811800 CPU: 8383.72, 0.00294159/step Wall: 8383.72, 0.00294159/step, 1.788 hours remaining, 208.816406 MB of memory in use. ENERGY: 2811800 739.1625 2078.5574 1930.3790 108.4525 -206233.1873 17660.4431 0.0000 0.0000 34003.6969 -149712.4961 296.9627 -183716.1929 -149615.9958 298.3361 -32.5282 0.5165 557460.5170 -8.5821 -8.3768 PRESSURE: 2812000 115.725 38.9412 52.7762 38.9413 2.88675 0.887403 52.7762 0.887202 30.5033 GPRESSURE: 2812000 131.401 -31.024 59.9734 106.072 42.2167 112.077 48.6948 -19.8398 69.4844 PRESSAVG: 2812000 13.9389 -55.2714 7.75031 -55.2715 3.65022 -5.78824 7.75026 -5.78827 -34.9556 GPRESSAVG: 2812000 14.4989 -55.1083 8.45552 -54.2023 2.99371 -6.51051 7.30924 -4.03638 -34.6227 TIMING: 2812000 CPU: 8384.31, 0.00295429/step Wall: 8384.31, 0.00295429/step, 1.79555 hours remaining, 208.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2812000 734.9056 2067.2666 1935.0131 120.4149 -206667.9755 18018.7997 0.0000 0.0000 34216.5473 -149575.0283 298.8216 -183791.5756 -149475.8096 298.4411 49.7050 81.0340 557784.0994 -5.7888 -5.7100 PRESSURE: 2812200 -73.3521 -21.7436 -56.1661 -21.7441 -291.431 -134.314 -56.1664 -134.313 -14.3178 GPRESSURE: 2812200 -50.1599 -105.396 -63.4138 -15.7109 -237.601 -131.043 -21.5374 -92.0642 16.5557 PRESSAVG: 2812200 4.02125 -29.6522 50.4754 -29.6521 14.3676 2.81609 50.4755 2.81612 12.7513 GPRESSAVG: 2812200 3.71294 -27.7537 49.7495 -30.4355 15.219 3.73067 50.2656 1.93215 11.7342 TIMING: 2812200 CPU: 8384.9, 0.00294884/step Wall: 8384.9, 0.00294884/step, 1.79208 hours remaining, 208.816406 MB of memory in use. ENERGY: 2812200 754.9293 2011.4490 1919.1546 106.4649 -206606.0701 17854.5291 0.0000 0.0000 34600.5071 -149359.0361 302.1748 -183959.5432 -149262.9122 299.1980 -126.3671 -90.4016 558171.6849 10.3801 10.2220 LDB: ============= START OF LOAD BALANCING ============== 8388.45 LDB: ============== END OF LOAD BALANCING =============== 8388.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8388.45 LDB: ============= START OF LOAD BALANCING ============== 8388.74 LDB: Largest compute 4773 load 0.027629 is 23.4% of average load 0.118278 LDB: Average compute 0.001743 is 1.5% of average load 0.118278 LDB: TIME 8388.75 LOAD: AVG 0.118278 MAX 0.199976 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.223 MB LDB: TIME 8388.75 LOAD: AVG 0.118278 MAX 0.199976 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.223 MB LDB: TIME 8388.75 LOAD: AVG 0.118278 MAX 0.199976 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8388.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8388.75 PRESSURE: 2812400 -269.89 73.5834 126.615 73.5839 -131.334 92.4022 126.615 92.4034 -143.283 GPRESSURE: 2812400 -247.493 58.6201 58.7742 57.2651 -63.7323 121.769 147.852 142.552 -126.329 PRESSAVG: 2812400 12.4483 -2.26129 51.3822 -2.26128 -33.3657 -53.8671 51.3822 -53.8671 65.101 GPRESSAVG: 2812400 13.0009 -4.33036 52.8044 -0.901853 -34.8795 -52.3421 49.5698 -55.0425 65.9627 TIMING: 2812400 CPU: 8385.5, 0.00299992/step Wall: 8385.5, 0.00299992/step, 1.82295 hours remaining, 206.222656 MB of memory in use. ENERGY: 2812400 794.1723 2056.2431 1911.6771 100.2398 -206131.4840 17587.5844 0.0000 0.0000 34172.1738 -149509.3935 298.4341 -183681.5674 -149407.0318 299.5242 -181.5024 -145.8516 557710.8885 14.7279 14.6947 PRESSURE: 2812600 -311.271 -71.4908 -128.234 -71.4917 -63.0899 -4.85905 -128.235 -4.86033 -35.1507 GPRESSURE: 2812600 -255.24 -8.1592 -217.645 -87.1384 -22.642 -28.5631 -100.548 -31.6253 -39.8778 PRESSAVG: 2812600 -89.7103 -36.5458 10.2098 -36.5458 40.3305 -8.44982 10.2098 -8.44979 51.6333 GPRESSAVG: 2812600 -89.5131 -35.9383 8.68816 -37.9427 40.9319 -10.4977 10.8057 -7.77887 50.6905 TIMING: 2812600 CPU: 8386.09, 0.00295017/step Wall: 8386.09, 0.00295017/step, 1.79256 hours remaining, 206.261719 MB of memory in use. ENERGY: 2812600 749.7985 2092.9950 1931.4327 112.9857 -206293.0759 17694.8978 0.0000 0.0000 34327.8642 -149383.1020 299.7938 -183710.9662 -149287.1488 298.9266 -136.5040 -105.9200 560219.4444 0.7512 0.7031 PRESSURE: 2812800 251.509 -53.4022 8.79982 -53.4028 152.013 -132.25 8.80016 -132.25 -116.584 GPRESSURE: 2812800 249.44 -144.751 4.07838 17.2972 176.922 -63.2063 -41.6997 -145.929 -48.0693 PRESSAVG: 2812800 -33.7747 -67.9104 -1.32987 -67.9104 -26.218 50.8131 -1.32999 50.813 49.1923 GPRESSAVG: 2812800 -35.0556 -67.9918 1.78687 -68.2143 -25.5807 51.5109 -1.99578 52.2619 49.8759 TIMING: 2812800 CPU: 8386.68, 0.00293971/step Wall: 8386.68, 0.00293971/step, 1.78604 hours remaining, 206.261719 MB of memory in use. ENERGY: 2812800 730.1766 2112.6948 1921.7637 114.0880 -206473.7264 18013.2336 0.0000 0.0000 34136.5675 -149445.2021 298.1231 -183581.7697 -149347.8622 298.2826 95.6458 126.0975 558300.9741 -3.6001 -3.5868 PRESSURE: 2813000 -274.243 -92.6663 -68.8611 -92.668 -324.971 112.158 -68.8622 112.157 -101.647 GPRESSURE: 2813000 -217.065 -16.988 -90.185 -80.0172 -346.733 89.1479 -11.2255 20.6113 -43.6477 PRESSAVG: 2813000 44.0145 -20.7593 -32.1715 -20.7593 -30.7774 21.2936 -32.1715 21.2935 -18.8228 GPRESSAVG: 2813000 44.6711 -21.7911 -35.1337 -19.7323 -31.3219 21.1265 -30.4825 19.3586 -18.9151 TIMING: 2813000 CPU: 8387.27, 0.0029475/step Wall: 8387.27, 0.0029475/step, 1.79061 hours remaining, 206.261719 MB of memory in use. ENERGY: 2813000 746.0539 2050.2237 1933.0965 118.5443 -206194.3282 17584.1612 0.0000 0.0000 34198.2533 -149563.9953 298.6619 -183762.2486 -149464.4107 298.7457 -233.6204 -202.4821 558386.6349 -1.8619 -1.8553 PRESSURE: 2813200 -197.378 -4.52175 -149.444 -4.5226 385.159 -19.4681 -149.443 -19.4682 122.604 GPRESSURE: 2813200 -97.9684 -23.8404 -87.7954 -44.8629 354.458 -4.07168 -197.233 23.6084 142.388 PRESSAVG: 2813200 24.0809 -1.10627 4.14448 -1.10627 23.6006 -6.78942 4.14454 -6.78945 -18.6088 GPRESSAVG: 2813200 23.8635 -0.0526539 6.41456 -3.16344 23.5556 -7.05027 3.73697 -7.86596 -18.4502 TIMING: 2813200 CPU: 8387.86, 0.00296664/step Wall: 8387.86, 0.00296664/step, 1.80207 hours remaining, 206.261719 MB of memory in use. ENERGY: 2813200 695.3108 2079.4008 1929.1311 111.5500 -206351.2689 17906.4313 0.0000 0.0000 33927.9218 -149701.5230 296.3010 -183629.4449 -149606.1639 297.8251 103.4616 132.9592 558166.3725 9.6909 9.6563 PRESSURE: 2813400 -35.7889 17.8204 48.8887 17.8202 -18.8466 9.62563 48.8887 9.62663 -93.047 GPRESSURE: 2813400 2.97761 38.1386 38.3822 67.3356 64.9346 -36.2572 16.5042 104.835 -108.166 PRESSAVG: 2813400 19.1525 -17.7282 36.3247 -17.7283 35.8094 4.54008 36.3246 4.54009 -23.9393 GPRESSAVG: 2813400 19.3393 -19.0544 33.9767 -14.9253 35.1219 5.80497 36.9092 6.86818 -23.3977 TIMING: 2813400 CPU: 8388.45, 0.0029362/step Wall: 8388.45, 0.0029362/step, 1.78341 hours remaining, 206.261719 MB of memory in use. ENERGY: 2813400 770.3251 2039.4068 1904.7049 115.1982 -206093.1106 17681.0604 0.0000 0.0000 34064.2779 -149518.1373 297.4918 -183582.4152 -149429.1444 297.5199 -49.2275 -13.4178 556571.9885 10.3409 10.3545 PRESSURE: 2813600 46.5838 21.1003 -54.2933 21.0999 148.187 -54.0133 -54.2936 -54.013 84.5 GPRESSURE: 2813600 70.7544 137.248 -62.2121 -56.2148 230.909 -29.4477 -48.32 -59.8405 64.5583 PRESSAVG: 2813600 48.9547 30.1126 4.04753 30.1126 -57.337 41.49 4.0476 41.4899 51.6883 GPRESSAVG: 2813600 48.4629 31.3621 5.97294 28.9367 -55.5482 40.5903 2.13476 41.1308 50.9495 TIMING: 2813600 CPU: 8389.04, 0.00293739/step Wall: 8389.04, 0.00293739/step, 1.78398 hours remaining, 206.261719 MB of memory in use. ENERGY: 2813600 751.1444 2041.5465 1947.1630 114.0515 -206528.2161 17938.5518 0.0000 0.0000 34182.3991 -149553.3599 298.5234 -183735.7589 -149454.0868 297.9119 93.0902 122.0740 556092.8218 14.4354 14.6214 PRESSURE: 2813800 105.138 -18.8068 -100.895 -18.8064 -172.111 42.8714 -100.895 42.8723 169.536 GPRESSURE: 2813800 164.608 -5.90311 -106.363 -33.0351 -202.913 -15.9633 -136.265 19.344 255.152 PRESSAVG: 2813800 -5.18713 2.99914 28.4309 2.99912 -64.6367 -36.9117 28.4309 -36.9117 76.1215 GPRESSAVG: 2813800 -4.96853 3.99705 30.0674 2.87476 -65.584 -37.104 27.7432 -37.0227 76.8538 TIMING: 2813800 CPU: 8389.63, 0.00295253/step Wall: 8389.63, 0.00295253/step, 1.79301 hours remaining, 206.261719 MB of memory in use. ENERGY: 2813800 759.5493 2073.0049 1917.7849 114.0966 -206557.3811 17986.1937 0.0000 0.0000 34039.3753 -149667.3764 297.2743 -183706.7517 -149574.6350 298.0061 34.1877 72.2821 556912.3138 2.0992 2.1004 PRESSURE: 2814000 -27.2561 -42.0843 143.633 -42.0849 129.483 129.735 143.633 129.734 239.313 GPRESSURE: 2814000 -5.29346 -51.04 183.213 -138.519 138.738 189.232 63.5455 123.733 310.699 PRESSAVG: 2814000 19.9367 -8.99538 29.8699 -8.99542 -39.2329 -34.2431 29.8699 -34.2431 1.81038 GPRESSAVG: 2814000 20.4269 -9.79625 27.1036 -6.2918 -39.4478 -33.5875 31.3338 -34.5085 1.87259 TIMING: 2814000 CPU: 8390.21, 0.00293008/step Wall: 8390.21, 0.00293008/step, 1.77921 hours remaining, 206.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2814000 716.3714 2109.4209 1927.9177 97.9581 -206659.9695 17976.4767 0.0000 0.0000 34272.5587 -149559.2661 299.3108 -183831.8248 -149469.1828 298.5203 113.8467 148.0480 556469.6318 -5.8286 -5.7161 PRESSURE: 2814200 -47.3826 -53.2073 260.66 -53.2067 -99.0325 -140.628 260.66 -140.628 -45.4162 GPRESSURE: 2814200 -24.2051 -53.7773 298.875 -57.1023 -83.8779 -170.07 272.819 -124.684 21.1004 PRESSAVG: 2814200 -31.2225 -8.81521 -5.51671 -8.81526 -37.9612 37.3388 -5.5167 37.3388 18.9176 GPRESSAVG: 2814200 -31.5094 -9.12993 -5.37811 -12.3461 -36.6832 39.0335 -6.35793 36.4617 17.8174 TIMING: 2814200 CPU: 8390.81, 0.00295283/step Wall: 8390.81, 0.00295283/step, 1.79286 hours remaining, 206.261719 MB of memory in use. ENERGY: 2814200 782.2777 2029.5013 1928.7866 116.2122 -206447.2475 17851.6136 0.0000 0.0000 34117.2909 -149621.5652 297.9548 -183738.8562 -149527.6597 298.2403 -63.9438 -28.9942 559478.4934 -16.7554 -16.7918 PRESSURE: 2814400 -38.3442 -132.093 -201.964 -132.094 -141.783 75.3559 -201.964 75.3571 16.2553 GPRESSURE: 2814400 71.5593 -135.626 -211.669 -184.989 -148.611 -24.2356 -254.514 100.459 15.2775 PRESSAVG: 2814400 -26.3081 -12.0831 -32.0529 -12.0832 -18.7471 -16.2084 -32.0528 -16.2084 22.824 GPRESSAVG: 2814400 -25.9396 -13.6919 -33.622 -10.0549 -19.3761 -17.3332 -29.6978 -16.3706 23.6705 TIMING: 2814400 CPU: 8391.39, 0.00294269/step Wall: 8391.39, 0.00294269/step, 1.78654 hours remaining, 206.261719 MB of memory in use. ENERGY: 2814400 756.6601 2034.5459 1935.5482 105.6102 -206323.2080 17818.8381 0.0000 0.0000 34160.6938 -149511.3118 298.3338 -183672.0056 -149411.7190 298.0416 -54.6238 -20.5912 557771.4768 -7.4104 -7.2151 PRESSURE: 2814600 -211.512 -200.797 57.1689 -200.796 -357.867 -83.7264 57.168 -83.7271 -40.4862 GPRESSURE: 2814600 -166.465 -210.559 3.21113 -201.609 -302.454 -61.6273 11.4954 -84.0025 -55.9056 PRESSAVG: 2814600 -39.8863 -18.3164 2.96086 -18.3163 36.134 27.4567 2.96091 27.4566 35.2713 GPRESSAVG: 2814600 -40.0985 -17.6618 4.54742 -18.8203 34.9872 25.7082 3.01605 29.6328 36.3185 TIMING: 2814600 CPU: 8391.99, 0.00296515/step Wall: 8391.99, 0.00296515/step, 1.80001 hours remaining, 206.261719 MB of memory in use. ENERGY: 2814600 720.2284 2090.5053 1947.0196 113.9316 -206019.0182 17462.2900 0.0000 0.0000 34197.2216 -149487.8217 298.6528 -183685.0433 -149395.9479 298.2425 -203.2885 -174.9414 557793.3224 10.5063 10.4024 PRESSURE: 2814800 57.2845 78.3792 -5.48265 78.3788 -41.2775 123.166 -5.48358 123.165 -57.6154 GPRESSURE: 2814800 78.2604 107.907 -76.9534 50.9917 -13.8679 132.114 1.24384 140.179 -11.2927 PRESSAVG: 2814800 24.4392 2.20509 9.86716 2.20517 -16.9871 61.118 9.867 61.118 -63.9773 GPRESSAVG: 2814800 23.6863 3.02401 9.95597 1.37906 -14.7791 61.0577 9.24792 61.2464 -65.3583 TIMING: 2814800 CPU: 8392.58, 0.00297226/step Wall: 8392.58, 0.00297226/step, 1.80416 hours remaining, 206.261719 MB of memory in use. ENERGY: 2814800 727.4376 2077.9777 1963.4725 112.3502 -206341.4557 17727.3233 0.0000 0.0000 34200.2801 -149532.6143 298.6796 -183732.8944 -149433.8519 298.6116 -13.8695 17.7000 557872.4613 -18.8417 -18.8170 PRESSURE: 2815000 -96.8827 41.0031 -55.2423 41.0048 -303.131 26.3217 -55.2428 26.3206 50.7351 GPRESSURE: 2815000 -50.504 45.709 -54.9098 64.2602 -297.493 -65.928 -48.4982 -85.3957 73.1327 PRESSAVG: 2815000 45.7086 -21.2089 -16.2166 -21.2089 -68.1659 31.7069 -16.2167 31.7069 -5.68003 GPRESSAVG: 2815000 46.0257 -21.5861 -14.4273 -21.6053 -69.8492 31.1862 -16.6567 32.467 -4.67098 TIMING: 2815000 CPU: 8393.17, 0.00296409/step Wall: 8393.17, 0.00296409/step, 1.79904 hours remaining, 206.261719 MB of memory in use. ENERGY: 2815000 771.1644 2082.4951 1970.3250 124.3921 -205972.7217 17701.9076 0.0000 0.0000 33849.5267 -149472.9108 295.6163 -183322.4375 -149381.5507 298.1122 -116.4261 -91.6213 556753.5167 -9.3791 -9.4982 PRESSURE: 2815200 228.557 -88.5131 -66.6353 -88.513 -126.069 145.764 -66.6362 145.764 79.0237 GPRESSURE: 2815200 264.511 -210.817 -18.5975 -22.314 -90.0016 205.622 -114.779 165.207 93.2062 PRESSAVG: 2815200 14.0775 15.7203 -25.5111 15.7202 -17.9722 40.0975 -25.5111 40.0975 20.843 GPRESSAVG: 2815200 13.317 13.5108 -26.6496 16.4134 -17.5899 41.468 -24.6739 38.3381 21.2597 TIMING: 2815200 CPU: 8393.76, 0.00294137/step Wall: 8393.76, 0.00294137/step, 1.78509 hours remaining, 206.261719 MB of memory in use. ENERGY: 2815200 760.8731 2082.2729 1945.9415 121.5020 -206631.6395 18039.3608 0.0000 0.0000 34311.6938 -149369.9954 299.6526 -183681.6892 -149269.1951 298.3044 60.5037 89.2386 558475.2253 5.6495 5.6623 PRESSURE: 2815400 216.462 -81.1972 82.3579 -81.1966 109.617 3.42685 82.3596 3.42658 22.4349 GPRESSURE: 2815400 285.89 -63.6415 170.985 -85.7331 152.286 63.5279 129.871 18.3384 4.90043 PRESSAVG: 2815400 52.9322 2.34998 -67.9207 2.35003 -102.892 -15.4025 -67.9207 -15.4025 30.0111 GPRESSAVG: 2815400 53.2598 4.6387 -67.1135 1.3158 -102.811 -15.929 -68.3156 -16.0785 28.8102 TIMING: 2815400 CPU: 8394.35, 0.00292833/step Wall: 8394.35, 0.00292833/step, 1.77701 hours remaining, 206.261719 MB of memory in use. ENERGY: 2815400 721.6544 2086.3403 1964.1924 121.8965 -206400.6660 17857.7927 0.0000 0.0000 34378.8020 -149269.9879 300.2386 -183648.7898 -149170.2168 299.6865 116.1715 147.6923 556115.8005 -6.6495 -6.9138 PRESSURE: 2815600 20.4528 -55.6301 1.18145 -55.6308 213.184 -215.829 1.18238 -215.826 97.8547 GPRESSURE: 2815600 41.8196 -91.8128 8.2661 -22.051 210.212 -176.523 -17.9961 -174.698 173.799 PRESSAVG: 2815600 75.3984 12.0083 34.0236 12.0083 -47.2318 21.5711 34.0236 21.5711 7.9526 GPRESSAVG: 2815600 75.2468 11.1238 34.6767 13.556 -47.2082 21.0784 32.9938 21.9903 8.75514 TIMING: 2815600 CPU: 8394.94, 0.00294892/step Wall: 8394.94, 0.00294892/step, 1.78934 hours remaining, 206.261719 MB of memory in use. ENERGY: 2815600 772.7242 2085.1486 1949.7658 104.7202 -206586.7192 18071.5958 0.0000 0.0000 34183.3783 -149419.3864 298.5319 -183602.7647 -149329.4085 299.0101 110.4971 141.9434 556845.8141 12.0397 12.2646 PRESSURE: 2815800 -297.615 69.4262 -32.2946 69.4263 207.61 94.928 -32.2953 94.9286 -94.7288 GPRESSURE: 2815800 -235.96 -1.62496 -93.6257 -15.9451 244.05 32.0365 91.6581 89.549 -96.9046 PRESSAVG: 2815800 19.8789 -20.9165 -2.78405 -20.9164 3.93517 -6.53644 -2.78416 -6.53639 -28.1552 GPRESSAVG: 2815800 19.3014 -20.8838 -5.1807 -23.7324 4.1195 -6.01317 -0.0244651 -5.9906 -27.7069 TIMING: 2815800 CPU: 8395.53, 0.00295982/step Wall: 8395.53, 0.00295982/step, 1.79579 hours remaining, 206.261719 MB of memory in use. ENERGY: 2815800 722.8387 2171.6813 1951.2889 120.4822 -206437.4874 17665.1966 0.0000 0.0000 34294.8750 -149511.1247 299.5057 -183805.9996 -149408.8223 298.5502 -61.5779 -29.6047 556761.3065 -1.4470 -1.4287 PRESSURE: 2816000 -151.622 97.0765 2.12584 97.0774 -499.407 -216.106 2.1237 -216.106 -182.77 GPRESSURE: 2816000 -117.499 60.0911 -44.143 47.8736 -462.723 -133.291 71.1376 -188.387 -139.69 PRESSAVG: 2816000 -63.7287 -25.1172 54.9315 -25.117 -26.3268 21.3379 54.9316 21.3379 41.3839 GPRESSAVG: 2816000 -62.0359 -25.2936 54.1791 -24.2457 -26.5208 22.2565 54.141 20.3284 40.0566 TIMING: 2816000 CPU: 8396.12, 0.00295024/step Wall: 8396.12, 0.00295024/step, 1.78981 hours remaining, 206.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2816000 795.5564 2068.4987 1950.4108 125.3481 -206242.2064 17637.8667 0.0000 0.0000 34280.3394 -149384.1863 299.3787 -183664.5257 -149281.6806 299.1985 -277.9330 -239.9707 558421.9590 -16.2239 -16.1667 PRESSURE: 2816200 203.382 -80.9181 -7.62155 -80.917 66.5159 -93.3141 -7.62156 -93.316 23.1026 GPRESSURE: 2816200 200.698 67.6715 3.88852 -171.827 118.473 -152.123 -102.851 -68.9867 68.8994 PRESSAVG: 2816200 102.886 38.5758 -38.2877 38.5758 13.319 31.8763 -38.2877 31.8762 -66.9658 GPRESSAVG: 2816200 101.921 39.967 -34.4817 39.4285 12.2852 31.0614 -41.0385 31.7906 -64.6424 TIMING: 2816200 CPU: 8396.71, 0.00294432/step Wall: 8396.71, 0.00294432/step, 1.78606 hours remaining, 206.261719 MB of memory in use. ENERGY: 2816200 695.1452 2079.9173 1934.6290 115.3350 -206367.6101 17924.0273 0.0000 0.0000 34299.1367 -149319.4196 299.5429 -183618.5563 -149219.0150 298.9603 97.6669 129.3570 556337.1656 16.4132 16.5212 LDB: ============= START OF LOAD BALANCING ============== 8400.26 LDB: ============== END OF LOAD BALANCING =============== 8400.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8400.26 LDB: ============= START OF LOAD BALANCING ============== 8400.55 LDB: Largest compute 4773 load 0.027670 is 23.4% of average load 0.118234 LDB: Average compute 0.001740 is 1.5% of average load 0.118234 LDB: TIME 8400.56 LOAD: AVG 0.118234 MAX 0.20244 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 8400.56 LOAD: AVG 0.118234 MAX 0.20244 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.445 MB LDB: TIME 8400.56 LOAD: AVG 0.118234 MAX 0.20244 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.445 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8400.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8400.56 PRESSURE: 2816400 24.295 -22.7911 -265.152 -22.7908 -346.478 -115.676 -265.151 -115.676 -2.32849 GPRESSURE: 2816400 23.5651 -123.697 -301.103 7.84244 -276.454 -106.292 -223.728 -56.2557 28.6275 PRESSAVG: 2816400 17.7034 -29.8579 -66.2744 -29.8579 26.6947 -39.0467 -66.2743 -39.0465 -43.0199 GPRESSAVG: 2816400 18.2126 -30.7989 -65.5372 -29.6684 26.968 -39.8093 -64.5759 -38.361 -43.8909 TIMING: 2816400 CPU: 8397.31, 0.003014/step Wall: 8397.31, 0.003014/step, 1.82816 hours remaining, 206.734375 MB of memory in use. ENERGY: 2816400 755.3167 2056.7131 1929.9399 116.8497 -206090.8421 17565.6919 0.0000 0.0000 34202.0744 -149464.2564 298.6952 -183666.3308 -149370.0298 298.5467 -108.1706 -74.7537 556251.1151 0.4594 0.4299 PRESSURE: 2816600 255.123 85.3696 41.7708 85.3713 76.4438 -167.945 41.7709 -167.943 198.818 GPRESSURE: 2816600 324.992 56.2247 8.70592 3.96695 63.8674 -109.002 23.0133 -119.384 231.745 PRESSAVG: 2816600 50.2201 51.6805 -57.3438 51.6805 12.6963 -34.3638 -57.3439 -34.3639 -33.1338 GPRESSAVG: 2816600 50.1298 50.8488 -59.8451 52.3977 12.8366 -35.1269 -56.5784 -33.1034 -33.3268 TIMING: 2816600 CPU: 8397.9, 0.00295284/step Wall: 8397.9, 0.00295284/step, 1.7909 hours remaining, 206.734375 MB of memory in use. ENERGY: 2816600 744.5914 2102.9840 1966.9915 97.4252 -206391.2200 17931.9495 0.0000 0.0000 34204.0248 -149343.2537 298.7123 -183547.2785 -149247.5249 298.1334 176.7950 206.8681 555805.6736 9.9275 9.8799 PRESSURE: 2816800 42.1795 -12.5666 67.2829 -12.5673 234.406 15.7472 67.2833 15.7477 -89.3436 GPRESSURE: 2816800 37.5297 122.671 58.7729 23.8716 261.117 24.6468 68.0306 -41.9229 -17.638 PRESSAVG: 2816800 -7.4018 3.78946 16.8795 3.7895 0.983772 2.87964 16.8796 2.87966 36.517 GPRESSAVG: 2816800 -8.10141 5.71249 15.1477 3.26542 0.850865 3.11704 17.782 1.60109 37.0662 TIMING: 2816800 CPU: 8398.5, 0.0029676/step Wall: 8398.5, 0.0029676/step, 1.79968 hours remaining, 206.734375 MB of memory in use. ENERGY: 2816800 746.0409 2079.6883 1961.1545 122.5182 -206548.2724 17976.4050 0.0000 0.0000 34335.4713 -149326.9942 299.8602 -183662.4655 -149238.2891 298.7521 62.4140 93.6695 557902.6316 10.0330 9.9386 PRESSURE: 2817000 -31.4186 194.928 -3.29002 194.93 3.31741 141.636 -3.29102 141.636 -240.567 GPRESSURE: 2817000 -49.1497 223.508 18.8045 172.138 36.183 61.2296 9.15091 146.992 -164.637 PRESSAVG: 2817000 -27.3141 50.2763 6.56572 50.2763 45.1335 25.7953 6.56575 25.7953 -0.300089 GPRESSAVG: 2817000 -27.4472 48.706 8.73629 49.9357 46.6681 24.4539 5.11459 26.0634 -2.04797 TIMING: 2817000 CPU: 8399.09, 0.00298397/step Wall: 8399.09, 0.00298397/step, 1.80945 hours remaining, 206.734375 MB of memory in use. ENERGY: 2817000 755.8033 2129.3991 1930.4431 116.5736 -206018.3191 17727.7539 0.0000 0.0000 34154.3034 -149204.0427 298.2780 -183358.3460 -149105.5477 299.0349 -89.5561 -59.2013 556955.5253 5.8398 5.7243 PRESSURE: 2817200 -328.721 18.4562 9.16968 18.4571 -201.771 69.2864 9.16874 69.2862 181.285 GPRESSURE: 2817200 -236.201 -53.3966 -34.6126 98.8976 -204.125 68.7259 2.10532 23.995 186.756 PRESSAVG: 2817200 -56.8201 45.6707 -34.0894 45.6707 58.4815 37.4383 -34.0893 37.4383 2.83927 GPRESSAVG: 2817200 -56.5363 45.7182 -36.3519 47.4087 57.6247 38.223 -32.0445 36.7813 3.67355 TIMING: 2817200 CPU: 8399.69, 0.00297334/step Wall: 8399.69, 0.00297334/step, 1.80284 hours remaining, 206.734375 MB of memory in use. ENERGY: 2817200 722.8323 2138.1807 1942.9211 106.6109 -205928.6745 17624.1713 0.0000 0.0000 34338.2708 -149055.6874 299.8847 -183393.9582 -148949.1160 299.8715 -116.4025 -84.5232 557696.4523 1.5002 1.5873 PRESSURE: 2817400 38.2961 110.874 -99.0816 110.875 -106.18 93.6628 -99.0818 93.6631 -187.057 GPRESSURE: 2817400 117.421 108.927 -67.4465 65.34 -70.6394 97.4631 -61.6376 27.4963 -197.349 PRESSAVG: 2817400 1.26332 -10.7373 -77.5485 -10.7373 0.442918 13.6989 -77.5486 13.6988 11.101 GPRESSAVG: 2817400 2.59199 -10.8468 -76.9907 -12.7439 0.0172143 13.4412 -79.984 15.3531 10.8546 TIMING: 2817400 CPU: 8400.29, 0.00299108/step Wall: 8400.29, 0.00299108/step, 1.81343 hours remaining, 206.734375 MB of memory in use. ENERGY: 2817400 682.9133 2061.8840 1921.3299 113.6054 -206188.5654 17782.7453 0.0000 0.0000 34436.6156 -149189.4719 300.7435 -183626.0875 -149088.4577 299.2143 -84.9803 -50.1890 559008.6838 4.2691 4.4879 PRESSURE: 2817600 0.799485 18.5121 -171.908 18.5135 294.648 -97.2956 -171.908 -97.2951 50.1392 GPRESSURE: 2817600 61.7583 -37.9581 -156.397 95.7116 245.19 -77.7953 -204.663 -50.5233 138.454 PRESSAVG: 2817600 -26.1154 34.5788 -84.2223 34.5789 -6.11433 -24.1145 -84.2222 -24.1145 37.5227 GPRESSAVG: 2817600 -26.1401 34.8582 -84.3035 34.0014 -6.12143 -21.2464 -83.4132 -26.6462 37.0126 TIMING: 2817600 CPU: 8400.88, 0.00298872/step Wall: 8400.88, 0.00298872/step, 1.81183 hours remaining, 206.734375 MB of memory in use. ENERGY: 2817600 776.3410 2132.8147 1959.8476 117.1509 -206372.7063 17930.5176 0.0000 0.0000 34189.2075 -149266.8270 298.5829 -183456.0345 -149173.1602 299.3563 115.1955 148.4674 556492.6361 1.7643 1.5837 PRESSURE: 2817800 -84.5759 -98.5997 71.9233 -98.5986 -71.7755 -42.5218 71.9243 -42.5211 58.9322 GPRESSURE: 2817800 -59.387 -82.1031 102.929 -62.8842 -24.2251 -22.4057 55.3283 -81.801 72.8338 PRESSAVG: 2817800 47.5305 57.5835 -6.26627 57.5835 2.36262 -94.7792 -6.26622 -94.7792 -48.036 GPRESSAVG: 2817800 46.9502 58.2461 -4.71155 58.0177 2.17771 -95.8836 -7.42717 -93.9331 -47.5688 TIMING: 2817800 CPU: 8401.48, 0.00299403/step Wall: 8401.48, 0.00299403/step, 1.81488 hours remaining, 206.937500 MB of memory in use. ENERGY: 2817800 733.8520 2144.5517 1932.2674 121.8090 -205948.8302 17593.5947 0.0000 0.0000 34154.5735 -149268.1818 298.2804 -183422.7553 -149169.8517 298.8501 -32.4731 -3.5928 557514.0333 0.6190 0.5197 PRESSURE: 2818000 -112.974 229.453 49.5788 229.453 -128.099 -21.1479 49.5786 -21.1465 -461.239 GPRESSURE: 2818000 -88.8551 192.811 35.4895 168.54 -112.524 -17.5738 89.6881 -41.2115 -382.491 PRESSAVG: 2818000 -63.158 3.26701 4.21372 3.26705 70.6173 -28.3857 4.21381 -28.3857 -22.2398 GPRESSAVG: 2818000 -63.3164 3.72091 4.24257 1.87684 70.6659 -28.4321 5.40646 -26.9419 -22.4175 TIMING: 2818000 CPU: 8402.08, 0.00297969/step Wall: 8402.08, 0.00297969/step, 1.80602 hours remaining, 206.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2818000 753.4434 2082.0899 1931.1490 114.6386 -206095.5132 17684.6032 0.0000 0.0000 34310.9979 -149218.5912 299.6465 -183529.5891 -149121.4418 299.4404 -234.1038 -194.6235 557954.3294 -4.9268 -5.0227 PRESSURE: 2818200 144.776 -88.3618 -251.11 -88.3627 79.6485 142.7 -251.11 142.699 -227.881 GPRESSURE: 2818200 174.681 -97.85 -282.635 -78.7484 114.824 158.979 -284.323 105.2 -192.086 PRESSAVG: 2818200 22.4475 -57.6987 65.3113 -57.6988 55.8406 5.22175 65.3113 5.22194 -29.7606 GPRESSAVG: 2818200 23.0169 -59.0242 64.0611 -55.2522 55.5105 4.64633 63.5014 3.31557 -30.2275 TIMING: 2818200 CPU: 8402.67, 0.00296198/step Wall: 8402.67, 0.00296198/step, 1.79512 hours remaining, 206.937500 MB of memory in use. ENERGY: 2818200 741.6977 2128.0726 1949.4419 113.9510 -206326.3905 17844.5488 0.0000 0.0000 34163.8445 -149384.8339 298.3614 -183548.6784 -149287.7671 299.3443 -1.1520 32.4730 556412.1087 16.1758 16.1000 PRESSURE: 2818400 -6.37512 41.6844 -8.47574 41.6842 -363.751 75.2675 -8.47521 75.2687 -358.194 GPRESSURE: 2818400 -20.3068 126.323 48.639 69.5534 -266.477 43.5187 -27.3634 66.3286 -340.898 PRESSAVG: 2818400 -12.5627 -28.1387 -48.4378 -28.1386 29.0049 24.8563 -48.4378 24.8562 13.5392 GPRESSAVG: 2818400 -13.9557 -27.8887 -45.8678 -28.3943 30.475 25.0747 -46.2714 26.4639 13.3973 TIMING: 2818400 CPU: 8403.26, 0.00295352/step Wall: 8403.26, 0.00295352/step, 1.78983 hours remaining, 206.937500 MB of memory in use. ENERGY: 2818400 763.3131 2111.6775 1927.6711 114.5776 -206058.9033 17370.5651 0.0000 0.0000 34495.9843 -149275.1148 301.2620 -183771.0991 -149179.4833 298.8500 -242.7733 -209.2273 556035.5817 9.9938 9.9722 PRESSURE: 2818600 -335.935 101.757 190.949 101.756 -91.1251 -59.8653 190.947 -59.8654 -216.274 GPRESSURE: 2818600 -322.651 106.859 238.382 74.1077 -116.922 -110.778 101.775 -21.9126 -111.705 PRESSAVG: 2818600 -30.4657 7.92616 49.9914 7.92605 6.34608 7.00482 49.9914 7.00482 38.7616 GPRESSAVG: 2818600 -30.0192 9.27637 47.4209 7.26674 6.16806 5.29217 47.8792 6.96462 38.3496 TIMING: 2818600 CPU: 8403.85, 0.00295908/step Wall: 8403.85, 0.00295908/step, 1.79304 hours remaining, 206.937500 MB of memory in use. ENERGY: 2818600 763.2984 2141.0119 1929.8972 102.5436 -205770.7527 17426.5647 0.0000 0.0000 34284.4372 -149122.9998 299.4145 -183407.4370 -149035.9475 299.9477 -214.4445 -183.7593 559065.9829 4.8806 4.8328 PRESSURE: 2818800 82.8545 81.6665 66.2656 81.6667 -61.4541 -38.2 66.2662 -38.2001 -85.4375 GPRESSURE: 2818800 55.282 2.30103 34.9062 153.907 42.2113 -6.6907 132.862 13.3306 -48.2105 PRESSAVG: 2818800 -69.654 -19.137 9.5905 -19.1369 72.4691 -0.866465 9.59052 -0.866555 6.39804 GPRESSAVG: 2818800 -69.7468 -19.2771 9.68049 -20.7937 71.8865 -0.87576 13.2662 0.0957535 7.00629 TIMING: 2818800 CPU: 8404.44, 0.0029286/step Wall: 8404.44, 0.0029286/step, 1.7744 hours remaining, 206.937500 MB of memory in use. ENERGY: 2818800 783.1401 2127.0973 1946.9051 117.2062 -206102.9815 17641.3200 0.0000 0.0000 34348.2613 -149139.0514 299.9719 -183487.3127 -149047.5881 299.6231 -21.3457 16.4276 556113.8999 3.0710 3.0486 PRESSURE: 2819000 -32.0266 50.4255 -131.514 50.426 -182.195 63.5239 -131.514 63.5243 45.8281 GPRESSURE: 2819000 30.6819 22.0381 -136.217 73.2014 -161.198 49.4351 -158.603 46.4995 65.1328 PRESSAVG: 2819000 -32.2844 57.9295 -22.903 57.9294 -29.8836 10.6043 -22.903 10.6044 10.5918 GPRESSAVG: 2819000 -31.3886 57.7743 -21.6052 59.3503 -29.6212 12.1087 -25.3993 11.2253 10.0751 TIMING: 2819000 CPU: 8405.03, 0.00295343/step Wall: 8405.03, 0.00295343/step, 1.78929 hours remaining, 206.937500 MB of memory in use. ENERGY: 2819000 725.9209 2132.1856 1947.2518 107.4206 -205914.2277 17686.0399 0.0000 0.0000 34309.8957 -149005.5132 299.6369 -183315.4090 -148902.7138 300.3496 -56.1310 -21.7943 558820.5170 -17.1921 -16.9782 PRESSURE: 2819200 65.9513 -0.0445045 -142.906 -0.0451357 218.762 -3.37448 -142.906 -3.3755 214.381 GPRESSURE: 2819200 81.9872 -56.5481 -171.232 -40.7997 286.839 -39.1102 -145.328 -58.6827 222.717 PRESSAVG: 2819200 18.1941 -4.90908 -44.2104 -4.90908 5.45198 -79.0077 -44.2104 -79.0076 29.1233 GPRESSAVG: 2819200 18.5828 -5.59377 -43.8254 -4.62044 4.81036 -80.9359 -43.2844 -80.3783 28.8744 TIMING: 2819200 CPU: 8405.62, 0.00296601/step Wall: 8405.62, 0.00296601/step, 1.79674 hours remaining, 206.937500 MB of memory in use. ENERGY: 2819200 742.7563 2140.4659 1973.9504 123.2870 -206845.1063 18134.8877 0.0000 0.0000 34488.0096 -149241.7495 301.1924 -183729.7591 -149149.2794 299.8641 166.3647 197.1809 556869.8360 17.5898 17.4225 PRESSURE: 2819400 115.431 -52.7754 63.5308 -52.7755 -117.939 11.4294 63.5307 11.4318 -243.359 GPRESSURE: 2819400 90.0733 -90.4177 94.2177 -173.906 -102.506 43.8394 94.4294 -31.1322 -139.82 PRESSAVG: 2819400 39.4669 -38.7184 -38.6191 -38.7185 -39.3406 -35.0003 -38.6191 -35.0003 3.75843 GPRESSAVG: 2819400 37.812 -37.3424 -39.7148 -39.3202 -40.4327 -32.2015 -37.1141 -37.3013 6.20276 TIMING: 2819400 CPU: 8406.21, 0.0029465/step Wall: 8406.21, 0.0029465/step, 1.78476 hours remaining, 206.937500 MB of memory in use. ENERGY: 2819400 787.5910 2121.1027 1939.4420 114.5275 -206445.2755 17823.7889 0.0000 0.0000 34453.5711 -149205.2524 300.8916 -183658.8235 -149116.1948 299.7577 -81.9555 -50.7510 556284.9942 1.2949 1.1940 PRESSURE: 2819600 -95.2494 217.769 175.416 217.769 -232.073 40.4519 175.416 40.4511 -215.257 GPRESSURE: 2819600 -50.4818 137.014 297.836 188.698 -168.128 84.9138 126.947 44.9771 -224.98 PRESSAVG: 2819600 40.0894 -38.5675 -12.6069 -38.5675 15.4547 21.2919 -12.6068 21.2918 -45.1762 GPRESSAVG: 2819600 41.0156 -40.4976 -9.21809 -37.2332 17.1056 21.3628 -14.6658 23.8406 -47.9754 TIMING: 2819600 CPU: 8406.8, 0.00294693/step Wall: 8406.8, 0.00294692/step, 1.78485 hours remaining, 206.937500 MB of memory in use. ENERGY: 2819600 776.0778 2123.7687 1931.2354 120.3314 -205826.2892 17603.6350 0.0000 0.0000 34305.9763 -148965.2645 299.6026 -183271.2408 -148868.6533 300.6280 -180.8601 -147.8633 557006.8286 3.4560 3.3819 PRESSURE: 2819800 -3.49388 -3.49099 -75.0358 -3.49194 -296.538 57.3275 -75.0361 57.3278 -129.277 GPRESSURE: 2819800 81.9997 -40.1401 -194.455 18.1755 -220.781 38.0814 -44.3056 65.6233 -185.746 PRESSAVG: 2819800 33.2951 -4.82736 25.615 -4.82728 -7.92934 16.3663 25.615 16.3664 10.1575 GPRESSAVG: 2819800 34.5616 -4.05175 22.9756 -4.81235 -9.60631 15.0512 26.3599 16.0873 10.4236 TIMING: 2819800 CPU: 8407.4, 0.00299414/step Wall: 8407.4, 0.00299414/step, 1.81328 hours remaining, 206.937500 MB of memory in use. ENERGY: 2819800 764.2530 2174.8429 1957.6208 118.1525 -206168.0187 17771.4721 0.0000 0.0000 34310.3443 -149071.3331 299.6408 -183381.6774 -148978.0201 300.8859 -143.1031 -108.1757 557755.8285 11.8411 11.7929 PRESSURE: 2820000 177.383 -66.632 -116.252 -66.6311 55.6667 -1.40125 -116.253 -1.39925 230.218 GPRESSURE: 2820000 189.665 -92.8717 -125.216 -51.8065 77.0635 72.4585 -53.1332 -43.6601 294.244 PRESSAVG: 2820000 13.6788 44.0721 -10.0231 44.0721 35.152 -26.1113 -10.0231 -26.1112 -10.3758 GPRESSAVG: 2820000 12.8358 43.3855 -7.72857 44.3544 36.1417 -25.0855 -10.8713 -28.1257 -10.5741 TIMING: 2820000 CPU: 8408, 0.00299635/step Wall: 8408, 0.00299635/step, 1.81446 hours remaining, 206.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2820000 758.2138 2071.6461 1961.5284 103.7172 -206326.4329 18052.9924 0.0000 0.0000 34266.1546 -149112.1803 299.2549 -183378.3349 -149017.7189 299.9693 154.4225 186.9908 555458.6702 12.8184 12.8011 PRESSURE: 2820200 177.259 -159.595 -137.096 -159.594 161.311 82.3961 -137.096 82.3964 -14.2558 GPRESSURE: 2820200 257.231 -107.898 -79.5883 -102.054 247.158 109.118 -162.041 82.52 -74.1354 PRESSAVG: 2820200 -120.228 36.0121 -19.9231 36.0121 43.8542 34.7733 -19.9231 34.7732 69.5722 GPRESSAVG: 2820200 -121.005 38.0947 -22.2059 33.6917 43.457 34.2229 -18.788 35.8364 70.3488 TIMING: 2820200 CPU: 8408.59, 0.00296679/step Wall: 8408.59, 0.00296679/step, 1.79639 hours remaining, 206.937500 MB of memory in use. ENERGY: 2820200 773.6373 2063.5151 1936.7172 113.5867 -206278.8691 17983.6747 0.0000 0.0000 34426.3829 -148981.3553 300.6542 -183407.7382 -148885.3300 300.0443 108.1049 143.4179 555290.5299 -2.2670 -2.3997 LDB: ============= START OF LOAD BALANCING ============== 8412.14 LDB: ============== END OF LOAD BALANCING =============== 8412.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8412.14 LDB: ============= START OF LOAD BALANCING ============== 8412.44 LDB: Largest compute 4773 load 0.027870 is 23.6% of average load 0.118237 LDB: Average compute 0.001750 is 1.5% of average load 0.118237 LDB: TIME 8412.45 LOAD: AVG 0.118237 MAX 0.205118 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 8412.45 LOAD: AVG 0.118237 MAX 0.205118 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.258 MB LDB: TIME 8412.45 LOAD: AVG 0.118237 MAX 0.205118 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.258 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8412.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8412.45 PRESSURE: 2820400 -181.614 21.6584 110.408 21.6579 -140.214 -21.8056 110.409 -21.8049 -295.044 GPRESSURE: 2820400 -177.047 85.9653 152.981 3.63327 -73.5138 26.9091 2.9802 -37.1478 -269.572 PRESSAVG: 2820400 -10.6758 19.1197 40.4752 19.1196 15.4288 -25.5366 40.4752 -25.5364 5.03886 GPRESSAVG: 2820400 -10.6148 18.1975 40.2752 20.5404 15.2221 -25.32 38.8987 -25.0811 5.49724 TIMING: 2820400 CPU: 8409.2, 0.00304493/step Wall: 8409.2, 0.00304493/step, 1.84354 hours remaining, 208.488281 MB of memory in use. ENERGY: 2820400 765.7959 2107.9076 1955.7765 114.4296 -205893.3709 17569.8251 0.0000 0.0000 34204.6403 -149174.9959 298.7176 -183379.6362 -149076.5482 300.3665 -205.6242 -173.3775 557085.0245 3.2639 3.3682 PRESSURE: 2820600 -306.831 -45.3894 -47.8026 -45.389 -70.276 -107.529 -47.8021 -107.529 30.1858 GPRESSURE: 2820600 -304.691 -42.3759 -35.2728 -132.825 -25.6595 -147.84 -55.8039 -202.096 75.7932 PRESSAVG: 2820600 26.5347 -38.4533 3.63433 -38.4532 -48.4602 -12.1857 3.63433 -12.1856 9.86075 GPRESSAVG: 2820600 25.6823 -38.2626 4.49453 -38.0946 -48.0253 -12.8373 4.79418 -11.0092 10.5495 TIMING: 2820600 CPU: 8409.8, 0.00298559/step Wall: 8409.8, 0.00298559/step, 1.80744 hours remaining, 208.488281 MB of memory in use. ENERGY: 2820600 757.4963 2083.4225 1942.4315 111.3212 -206184.7259 17774.8684 0.0000 0.0000 34439.2880 -149075.8978 300.7669 -183515.1859 -148980.0202 299.6928 -115.6405 -84.8523 558030.6287 -4.0216 -3.9311 PRESSURE: 2820800 0.227167 -29.3494 -34.0451 -29.3489 -189.457 61.3608 -34.0462 61.3586 -258.675 GPRESSURE: 2820800 44.1703 -40.8332 -47.7298 -22.7778 -122.729 154.22 -26.0485 7.62302 -281.964 PRESSAVG: 2820800 30.4168 54.0283 -47.1437 54.0282 -29.9782 -8.25545 -47.1437 -8.25553 -0.451875 GPRESSAVG: 2820800 31.889 54.1595 -49.3714 52.6412 -29.4827 -9.74802 -47.6498 -8.71001 -2.37628 TIMING: 2820800 CPU: 8410.39, 0.00295611/step Wall: 8410.39, 0.00295611/step, 1.78943 hours remaining, 208.488281 MB of memory in use. ENERGY: 2820800 749.6588 2084.3315 1935.6498 110.2270 -206063.6639 17576.2191 0.0000 0.0000 34354.7148 -149252.8629 300.0283 -183607.5777 -149153.8683 299.4462 -149.3015 -120.1741 558383.4051 -0.0044 0.0100 PRESSURE: 2821000 -151.151 90.4748 173.256 90.4734 -96.7153 -102.382 173.256 -102.381 -199.907 GPRESSURE: 2821000 -133.94 85.6318 249.862 136.15 -63.234 -76.955 86.3222 -119.292 -153.155 PRESSAVG: 2821000 39.9983 49.2641 -10.4075 49.264 -34.008 39.8354 -10.4075 39.8354 -3.75092 GPRESSAVG: 2821000 39.7587 48.957 -8.41485 50.4019 -34.684 42.1171 -10.5492 38.1727 -2.92866 TIMING: 2821000 CPU: 8410.98, 0.00296435/step Wall: 8410.98, 0.00296435/step, 1.79425 hours remaining, 208.488281 MB of memory in use. ENERGY: 2821000 713.7004 2122.5231 1928.9011 114.9643 -205438.9627 17353.1421 0.0000 0.0000 34147.2092 -149058.5226 298.2161 -183205.7318 -148962.9486 299.6713 -149.2575 -116.7760 557515.9963 0.7465 0.7153 PRESSURE: 2821200 67.9768 -82.4647 -119.509 -82.4652 139.093 88.2133 -119.508 88.2134 37.4765 GPRESSURE: 2821200 67.0754 -115.837 -191.231 -34.4384 196.267 124.108 -50.3071 23.2516 83.4931 PRESSAVG: 2821200 -16.67 3.65344 24.6226 3.65346 -61.5677 1.52579 24.6226 1.52588 79.0097 GPRESSAVG: 2821200 -16.9989 2.56777 25.9182 5.12707 -60.7302 0.319528 24.6037 1.43838 78.7726 TIMING: 2821200 CPU: 8411.57, 0.00295832/step Wall: 8411.57, 0.00295832/step, 1.79044 hours remaining, 208.488281 MB of memory in use. ENERGY: 2821200 732.8335 2073.5031 1950.2262 115.8971 -206567.8977 18138.1790 0.0000 0.0000 34350.6854 -149206.5734 299.9931 -183557.2589 -149110.1847 299.0902 81.5154 115.6118 556603.7924 0.2573 0.3478 PRESSURE: 2821400 7.25791 -105.709 -95.834 -105.708 -199.058 -82.8787 -95.8329 -82.8787 -87.6584 GPRESSURE: 2821400 -2.8028 -150.667 -22.0115 -41.9367 -180.557 -35.0474 -53.5751 -165.563 -2.30598 PRESSAVG: 2821400 -1.44019 17.0986 -6.5908 17.0986 -2.10889 13.6995 -6.59085 13.6995 -27.6688 GPRESSAVG: 2821400 -0.774786 18.1493 -8.86015 15.1163 -2.51414 15.705 -6.21765 12.8554 -28.0308 TIMING: 2821400 CPU: 8412.16, 0.00294587/step Wall: 8412.16, 0.00294587/step, 1.78274 hours remaining, 208.488281 MB of memory in use. ENERGY: 2821400 757.3635 2105.2132 1947.3868 104.1204 -206608.6286 17892.0960 0.0000 0.0000 34436.9010 -149365.5476 300.7460 -183802.4487 -149270.8339 299.6060 -93.1527 -61.8887 557034.7114 -10.4060 -10.4399 PRESSURE: 2821600 -242.681 -133.268 31.1009 -133.269 -193.516 86.285 31.1009 86.2843 -293.288 GPRESSURE: 2821600 -269.881 -150.991 34.1456 -111.277 -123.445 8.98986 28.9585 65.3303 -236.05 PRESSAVG: 2821600 -37.6743 -34.2655 -9.18698 -34.2653 -2.85225 17.1478 -9.18706 17.1478 16.1989 GPRESSAVG: 2821600 -38.9463 -34.8611 -9.75062 -34.7661 -3.27997 16.4419 -8.83442 18.2111 18.0969 TIMING: 2821600 CPU: 8412.75, 0.00294897/step Wall: 8412.75, 0.00294897/step, 1.78445 hours remaining, 208.488281 MB of memory in use. ENERGY: 2821600 796.8902 2086.3433 1943.6758 111.1615 -206085.0412 17521.8100 0.0000 0.0000 34348.4385 -149276.7219 299.9735 -183625.1604 -149182.1343 299.4766 -243.1616 -209.7917 558290.3177 -8.1092 -8.0431 PRESSURE: 2821800 -212.492 -33.7555 -4.074 -33.7555 89.5148 -53.0231 -4.07375 -53.0235 -295.728 GPRESSURE: 2821800 -181.583 10.6134 -76.5357 -37.3117 162.324 -49.4644 42.383 -29.4626 -289.57 PRESSAVG: 2821800 7.58096 -46.9818 -22.5136 -46.9818 12.9074 10.14 -22.5136 10.1399 -61.0039 GPRESSAVG: 2821800 7.85204 -48.4297 -22.3053 -46.2136 13.8097 11.008 -23.3238 9.42096 -62.4236 TIMING: 2821800 CPU: 8413.35, 0.00298/step Wall: 8413.35, 0.00298/step, 1.80307 hours remaining, 208.488281 MB of memory in use. ENERGY: 2821800 795.7312 2079.2144 1948.1531 120.0933 -206291.2397 17706.3014 0.0000 0.0000 34338.6558 -149303.0906 299.8880 -183641.7463 -149210.7172 299.5036 -139.5685 -102.9430 557647.3676 -13.5052 -13.5873 PRESSURE: 2822000 54.6176 73.3181 237.355 73.3176 -185.221 107.121 237.355 107.121 5.19987 GPRESSURE: 2822000 37.1371 111.965 219.66 -2.12137 -92.6839 155.424 224.6 102.026 37.7718 PRESSAVG: 2822000 8.50258 -22.5849 27.368 -22.585 49.8537 -14.2395 27.368 -14.2395 -62.2297 GPRESSAVG: 2822000 8.52222 -22.7238 27.1756 -22.7571 50.237 -15.1686 26.6467 -13.6435 -62.2533 TIMING: 2822000 CPU: 8413.95, 0.0029897/step Wall: 8413.95, 0.0029897/step, 1.80877 hours remaining, 208.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2822000 768.4340 2099.0446 1917.9000 124.5261 -206262.0740 17745.0223 0.0000 0.0000 34219.1381 -149388.0089 298.8442 -183607.1471 -149288.8106 298.9795 -41.8011 -5.9250 557211.2734 -1.2911 -1.1647 PRESSURE: 2822200 -68.4492 34.5629 62.2118 34.563 -204.371 -36.1868 62.2124 -36.1873 -58.4052 GPRESSURE: 2822200 -26.5359 23.3458 47.6325 59.5622 -156.898 -69.1862 92.8253 -105.403 -48.3147 PRESSAVG: 2822200 68.1597 -30.1567 -41.8357 -30.1566 -21.5761 20.8829 -41.8357 20.8829 -33.0366 GPRESSAVG: 2822200 69.3632 -30.546 -40.569 -29.1627 -22.1795 22.5443 -38.8775 20.1513 -33.8577 TIMING: 2822200 CPU: 8414.54, 0.00296212/step Wall: 8414.54, 0.00296212/step, 1.79192 hours remaining, 208.488281 MB of memory in use. ENERGY: 2822200 770.3474 2138.4736 1947.1836 105.1715 -206218.6460 17730.0174 0.0000 0.0000 34213.1026 -149314.3498 298.7915 -183527.4524 -149220.7013 298.4940 -110.4083 -77.2497 557213.2171 4.5157 4.4420 PRESSURE: 2822400 -35.9204 -52.1436 44.2238 -52.144 -49.8895 -87.3411 44.225 -87.3429 -4.85926 GPRESSURE: 2822400 -34.354 -144.551 0.00844822 -33.4505 9.24635 -98.1543 13.9438 -94.2729 14.8695 PRESSAVG: 2822400 -50.4161 -27.3655 39.7108 -27.3655 20.1975 -50.8468 39.7108 -50.8469 0.661229 GPRESSAVG: 2822400 -52.2824 -27.4558 39.4808 -27.9326 20.2316 -50.9117 38.0309 -49.3577 2.74816 TIMING: 2822400 CPU: 8415.13, 0.00295197/step Wall: 8415.13, 0.00295197/step, 1.78561 hours remaining, 208.488281 MB of memory in use. ENERGY: 2822400 703.0019 2082.2568 1935.0664 117.7124 -206124.3447 17842.6437 0.0000 0.0000 34345.8166 -149097.8470 299.9506 -183443.6636 -149002.4093 299.4611 -30.2231 -3.4127 558032.4420 -9.8525 -9.7675 PRESSURE: 2822600 -28.0207 -75.1348 59.7758 -75.1352 -27.0076 72.2337 59.776 72.2333 -144.67 GPRESSURE: 2822600 -42.2161 -39.7678 138.127 -48.2242 17.3654 104.642 25.1557 39.61 -73.2829 PRESSAVG: 2822600 -31.8207 -28.5106 -8.53776 -28.5106 22.9763 -43.6359 -8.53779 -43.6359 -7.58847 GPRESSAVG: 2822600 -30.3011 -27.3457 -9.7975 -27.6914 22.6417 -45.9192 -8.22306 -42.3282 -9.68427 TIMING: 2822600 CPU: 8415.72, 0.00295959/step Wall: 8415.72, 0.00295959/step, 1.79006 hours remaining, 208.488281 MB of memory in use. ENERGY: 2822600 767.0653 2088.2941 1927.9730 108.2506 -206248.9513 17909.6463 0.0000 0.0000 34114.0712 -149333.6509 297.9267 -183447.7221 -149239.2463 299.2042 -66.5660 -32.7112 558567.6568 -5.4776 -5.7812 PRESSURE: 2822800 -61.6527 -179.157 169.268 -179.158 258.831 172.129 169.267 172.13 120.774 GPRESSURE: 2822800 4.89671 -202.72 127.246 -140.833 274.228 75.8441 162.443 198.409 125.117 PRESSAVG: 2822800 43.6946 -61.2868 -25.3641 -61.2868 -65.9153 -27.8051 -25.3641 -27.8052 -17.9757 GPRESSAVG: 2822800 42.701 -63.1134 -26.5451 -60.0829 -65.345 -29.4894 -25.6423 -29.4287 -17.9453 TIMING: 2822800 CPU: 8416.32, 0.0029775/step Wall: 8416.32, 0.0029775/step, 1.80073 hours remaining, 208.488281 MB of memory in use. ENERGY: 2822800 750.2139 2133.5555 1935.4219 100.3074 -206524.6352 18029.8516 0.0000 0.0000 34236.1243 -149339.1607 298.9926 -183575.2850 -149232.5515 298.7860 105.9841 134.7475 556440.1754 -13.3988 -13.5298 PRESSURE: 2823000 40.3163 11.6825 14.0894 11.6843 235.958 -99.238 14.0897 -99.239 -64.7925 GPRESSURE: 2823000 84.7718 8.44979 -65.9208 76.0562 247.467 -142.005 34.8324 -108.397 -16.1428 PRESSAVG: 2823000 32.6456 -22.5422 -17.3286 -22.5421 -2.62455 30.9002 -17.3286 30.9001 -29.6864 GPRESSAVG: 2823000 32.184 -21.3104 -15.3932 -24.9284 -2.23121 33.9772 -16.6229 31.7348 -28.9597 TIMING: 2823000 CPU: 8416.92, 0.00299217/step Wall: 8416.92, 0.00299217/step, 1.80943 hours remaining, 208.488281 MB of memory in use. ENERGY: 2823000 733.1088 2032.2890 1949.4629 107.8834 -206030.6106 17861.2798 0.0000 0.0000 34001.4047 -149345.1819 296.9427 -183346.5867 -149244.6131 298.6516 70.4940 105.3654 557747.9330 0.1116 0.3310 PRESSURE: 2823200 -41.432 -87.0463 40.1306 -87.0466 -77.0669 -40.804 40.1305 -40.8046 -141.196 GPRESSURE: 2823200 -33.5212 -23.5243 -13.193 -97.2257 17.7172 -74.9542 72.7285 -24.1297 -146.967 PRESSAVG: 2823200 10.9914 -9.6666 14.9488 -9.66662 -17.9651 -47.7474 14.9488 -47.7473 -33.3406 GPRESSAVG: 2823200 11.5466 -9.99032 15.9957 -9.46461 -19.1661 -46.6086 15.0637 -48.2246 -32.7688 TIMING: 2823200 CPU: 8417.52, 0.00300598/step Wall: 8417.52, 0.00300598/step, 1.81762 hours remaining, 208.488281 MB of memory in use. ENERGY: 2823200 797.3638 2043.3938 1932.0409 105.9604 -206391.6116 17768.1055 0.0000 0.0000 34221.6511 -149523.0961 298.8662 -183744.7472 -149425.9461 298.5113 -86.5651 -54.2571 556257.5342 -13.4381 -13.4628 PRESSURE: 2823400 -9.0495 119.383 107.975 119.383 -91.2233 13.7433 107.975 13.7443 -80.0437 GPRESSURE: 2823400 31.9824 141.097 110.407 121.626 -56.9653 91.1423 116.675 -41.2958 -67.1239 PRESSAVG: 2823400 -25.6949 -5.59426 23.4938 -5.59422 18.4632 -48.0323 23.4938 -48.0323 -3.28605 GPRESSAVG: 2823400 -25.2214 -4.60647 23.3908 -3.64919 18.7166 -48.8432 23.0328 -47.7714 -3.4077 TIMING: 2823400 CPU: 8418.11, 0.0029738/step Wall: 8418.11, 0.0029738/step, 1.79799 hours remaining, 208.488281 MB of memory in use. ENERGY: 2823400 735.7863 2038.5774 1927.4223 110.2612 -206456.1721 17786.8981 0.0000 0.0000 34244.3609 -149612.8659 299.0645 -183857.2268 -149510.0020 298.2572 -60.1055 -30.7023 556821.7901 -3.5059 -3.3041 PRESSURE: 2823600 -196.311 -213.843 57.0453 -213.844 87.7593 52.2629 57.045 52.2639 -162.891 GPRESSURE: 2823600 -157.782 -267.44 82.5701 -175.067 46.0117 102.224 56.7089 58.5921 -68.5148 PRESSAVG: 2823600 8.56861 6.57431 1.30633 6.57427 3.60662 -46.5268 1.30638 -46.5268 -23.6993 GPRESSAVG: 2823600 7.72319 6.33337 2.89261 4.88744 4.14252 -48.8001 0.978287 -46.6064 -24.0381 TIMING: 2823600 CPU: 8418.7, 0.00296476/step Wall: 8418.7, 0.00296476/step, 1.79236 hours remaining, 208.488281 MB of memory in use. ENERGY: 2823600 779.6328 2017.1026 1926.6659 111.4703 -206508.9761 17901.6736 0.0000 0.0000 34241.8901 -149530.5407 299.0429 -183772.4309 -149439.0115 298.5798 -90.4810 -60.0950 557212.5555 -3.8414 -4.0575 PRESSURE: 2823800 -87.0618 -159.95 32.1871 -159.951 -277.646 -84.9838 32.1887 -84.9828 -49.1238 GPRESSURE: 2823800 -45.123 -168.186 38.2247 -86.8572 -243.215 -92.4006 17.3188 -74.1069 -17.8176 PRESSAVG: 2823800 -33.2612 -36.8353 12.968 -36.8352 75.3032 -0.273425 12.968 -0.273333 -60.515 GPRESSAVG: 2823800 -32.5857 -36.1361 11.7351 -37.2476 75.7765 1.52346 11.557 -0.628868 -62.1466 TIMING: 2823800 CPU: 8419.3, 0.00297627/step Wall: 8419.3, 0.00297627/step, 1.79916 hours remaining, 208.488281 MB of memory in use. ENERGY: 2823800 776.5562 2036.8303 1929.1799 108.4970 -206166.4324 17891.3641 0.0000 0.0000 33990.3569 -149433.6481 296.8462 -183424.0050 -149340.8589 299.0277 -137.9437 -102.0518 558396.3287 -6.1577 -6.3186 PRESSURE: 2824000 -173.151 97.6553 -12.2975 97.655 8.82139 -11.4029 -12.2974 -11.4043 -248.456 GPRESSURE: 2824000 -157.594 127.216 -59.6063 85.7542 56.5073 16.663 -3.09314 -42.074 -216.126 PRESSAVG: 2824000 23.8721 -19.2336 18.8623 -19.2335 70.2868 7.93139 18.8624 7.93137 -41.7236 GPRESSAVG: 2824000 22.8431 -19.3717 15.2219 -19.5256 69.3755 7.26246 23.8993 8.41405 -39.5691 TIMING: 2824000 CPU: 8419.89, 0.00295532/step Wall: 8419.89, 0.00295532/step, 1.78633 hours remaining, 208.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2824000 790.8116 2150.0375 1953.0010 114.1539 -206680.0667 17834.4598 0.0000 0.0000 34224.6619 -149612.9408 298.8925 -183837.6028 -149519.6071 298.7903 -137.5950 -105.7373 557012.7915 17.4784 17.5498 PRESSURE: 2824200 -283.52 -35.9188 35.8611 -35.9186 213.079 -72.5558 35.8613 -72.5537 41.061 GPRESSURE: 2824200 -220.358 -22.2355 8.18442 -97.3622 232.958 -61.609 18.9574 -57.0491 44.4722 PRESSAVG: 2824200 19.7124 40.8543 -25.925 40.8543 -2.10985 32.3305 -25.9251 32.3306 -1.52329 GPRESSAVG: 2824200 19.9806 40.2727 -25.2017 41.4027 -1.69843 32.5094 -28.2438 33.1656 -2.27704 TIMING: 2824200 CPU: 8420.48, 0.00296701/step Wall: 8420.48, 0.00296701/step, 1.79323 hours remaining, 208.488281 MB of memory in use. ENERGY: 2824200 794.9686 2001.3867 1919.0876 127.0161 -206369.1202 17783.1288 0.0000 0.0000 34083.1007 -149660.4316 297.6562 -183743.5323 -149562.8526 298.5148 -9.7933 19.0242 558047.7656 5.3598 5.3350 LDB: ============= START OF LOAD BALANCING ============== 8424.03 LDB: ============== END OF LOAD BALANCING =============== 8424.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8424.03 LDB: ============= START OF LOAD BALANCING ============== 8424.33 LDB: Largest compute 4773 load 0.027175 is 23.0% of average load 0.118145 LDB: Average compute 0.001744 is 1.5% of average load 0.118145 LDB: TIME 8424.33 LOAD: AVG 0.118145 MAX 0.201833 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.82 MB LDB: TIME 8424.33 LOAD: AVG 0.118145 MAX 0.201833 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.82 MB LDB: TIME 8424.33 LOAD: AVG 0.118145 MAX 0.201833 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.82 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8424.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8424.34 PRESSURE: 2824400 -48.2114 -37.4344 48.5195 -37.4331 -108.27 -113.277 48.5202 -113.276 -92.6912 GPRESSURE: 2824400 -62.2113 33.7577 -15.0378 -83.1524 -58.9151 -22.8762 81.2709 -159.524 -9.48219 PRESSAVG: 2824400 -13.8503 -19.6377 0.870662 -19.6378 44.6316 -74.1398 0.870659 -74.1398 -41.4329 GPRESSAVG: 2824400 -14.7029 -18.7127 3.58443 -20.598 44.243 -73.5767 0.446962 -76.1925 -40.0561 TIMING: 2824400 CPU: 8421.09, 0.00301616/step Wall: 8421.09, 0.00301616/step, 1.82276 hours remaining, 206.734375 MB of memory in use. ENERGY: 2824400 725.8931 2085.9767 1989.2330 119.7995 -206628.9379 17814.1113 0.0000 0.0000 34235.7842 -149658.1401 298.9896 -183893.9243 -149559.2356 298.7469 -83.0575 -43.5362 558491.2400 -3.5505 -3.5053 PRESSURE: 2824600 221.211 -0.962735 -89.5656 -0.963175 162.596 83.4346 -89.5656 83.4355 -276.734 GPRESSURE: 2824600 204.915 60.7982 -37.3597 -54.2898 194.168 163.303 -116.345 9.00224 -197.138 PRESSAVG: 2824600 -15.1058 -29.0373 41.8656 -29.0373 -19.6272 -51.0908 41.8656 -51.0909 27.5066 GPRESSAVG: 2824600 -15.3054 -28.1422 42.4709 -28.7009 -17.7995 -51.4509 40.6775 -49.6176 25.8287 TIMING: 2824600 CPU: 8421.68, 0.00293806/step Wall: 8421.68, 0.00293806/step, 1.77541 hours remaining, 206.734375 MB of memory in use. ENERGY: 2824600 693.3527 2066.7037 1940.1694 110.7249 -206445.0955 17887.4642 0.0000 0.0000 34232.3543 -149514.3264 298.9597 -183746.6807 -149413.1846 298.6122 35.6909 67.3147 557226.5330 -2.4088 -2.4254 PRESSURE: 2824800 264.476 -133.033 132.468 -133.033 55.0118 -15.8136 132.469 -15.8127 -43.2825 GPRESSURE: 2824800 305.395 -128.728 83.8015 -163.5 68.5139 -46.0098 142.791 -92.5667 7.20286 PRESSAVG: 2824800 71.915 -23.9725 -27.8799 -23.9725 -32.4521 -5.47214 -27.8798 -5.47215 -33.406 GPRESSAVG: 2824800 72.0518 -25.3609 -31.4391 -23.8299 -34.0076 -5.30196 -28.0338 -7.29231 -32.1537 TIMING: 2824800 CPU: 8422.27, 0.00296107/step Wall: 8422.27, 0.00296107/step, 1.78914 hours remaining, 206.937500 MB of memory in use. ENERGY: 2824800 774.3635 2112.5731 1977.6696 117.4631 -206922.9897 18114.6124 0.0000 0.0000 34337.5012 -149488.8068 299.8779 -183826.3080 -149387.0988 298.6336 92.0684 127.0372 555666.0632 2.0190 1.9635 PRESSURE: 2825000 61.888 -37.6084 -39.7406 -37.6085 207.891 -171.85 -39.7394 -171.849 146.657 GPRESSURE: 2825000 111.241 -23.6466 -101.019 14.463 263.991 -183.959 -107.191 -56.0558 150.014 PRESSAVG: 2825000 38.0865 16.9828 -11.1194 16.9828 -26.8177 -76.735 -11.1194 -76.7349 -3.36203 GPRESSAVG: 2825000 38.7129 17.3518 -8.4786 16.2341 -26.0981 -78.1797 -12.0976 -74.412 -4.77106 TIMING: 2825000 CPU: 8422.86, 0.00294814/step Wall: 8422.86, 0.00294814/step, 1.78117 hours remaining, 206.937500 MB of memory in use. ENERGY: 2825000 755.1643 2071.1743 1935.9799 112.7346 -206732.3085 18148.1673 0.0000 0.0000 34295.4096 -149413.6784 299.5103 -183709.0880 -149315.3402 299.0663 138.8121 175.0819 557254.7839 2.6356 2.6146 PRESSURE: 2825200 135.666 -50.1086 142.977 -50.1083 -39.8876 -42.9414 142.979 -42.942 -121.261 GPRESSURE: 2825200 127.605 -46.7057 165.766 -70.5472 20.422 -55.6055 33.6186 -12.7288 -81.368 PRESSAVG: 2825200 37.1303 -13.3481 -32.9733 -13.348 -13.1058 -5.03127 -32.9732 -5.03123 6.89662 GPRESSAVG: 2825200 37.2869 -14.0965 -32.5796 -11.3908 -13.5202 -4.19108 -31.7956 -7.07559 6.66277 TIMING: 2825200 CPU: 8423.45, 0.00295012/step Wall: 8423.45, 0.00295012/step, 1.7822 hours remaining, 206.937500 MB of memory in use. ENERGY: 2825200 731.3949 2062.5736 1960.9693 108.7663 -206493.0558 17902.3610 0.0000 0.0000 34259.3766 -149467.6141 299.1957 -183726.9908 -149377.4005 299.0029 -8.4942 22.2197 558700.1789 10.3070 10.1432 PRESSURE: 2825400 -0.290525 71.1561 135.201 71.1573 211.055 79.0243 135.202 79.0239 206.648 GPRESSURE: 2825400 -21.6399 135.867 74.4745 -31.9988 264.801 165.907 227.955 67.5393 268.603 PRESSAVG: 2825400 59.4036 -7.24004 -11.3235 -7.24007 7.71198 10.9138 -11.3235 10.9139 -47.1066 GPRESSAVG: 2825400 58.4451 -6.85353 -12.6773 -7.69594 7.10172 12.2772 -11.6716 11.3657 -46.0932 TIMING: 2825400 CPU: 8424.04, 0.00293902/step Wall: 8424.04, 0.00293902/step, 1.77533 hours remaining, 206.937500 MB of memory in use. ENERGY: 2825400 764.8178 2091.1598 1929.6065 108.2068 -206396.6142 18057.0151 0.0000 0.0000 33980.3512 -149465.4569 296.7589 -183445.8081 -149367.9062 298.4280 139.1378 170.5882 557355.2054 6.6697 6.4846 PRESSURE: 2825600 37.6186 -132.769 -35.1931 -132.768 31.0174 137.963 -35.1935 137.962 266.56 GPRESSURE: 2825600 134.251 -145.727 73.0577 -190.388 52.4004 129.973 -119.366 179.81 253.147 PRESSAVG: 2825600 -13.057 -18.8931 -11.8391 -18.8931 22.4501 21.8455 -11.8391 21.8454 19.8991 GPRESSAVG: 2825600 -12.0432 -20.8987 -11.9057 -19.2927 21.7635 19.3645 -11.8441 21.902 20.1681 TIMING: 2825600 CPU: 8424.62, 0.00294859/step Wall: 8424.62, 0.00294859/step, 1.78095 hours remaining, 206.937500 MB of memory in use. ENERGY: 2825600 771.0244 2074.5217 1939.1823 111.5617 -206548.0490 18001.0918 0.0000 0.0000 34184.6422 -149466.0247 298.5430 -183650.6669 -149375.7210 297.9554 111.7319 146.5994 558109.0907 9.7641 9.9628 PRESSURE: 2825800 206.302 -6.80563 -194.265 -6.80531 -85.6851 56.7165 -194.264 56.7149 -46.644 GPRESSURE: 2825800 193.651 132.709 -200.702 5.11848 -47.7701 78.6953 -182.105 77.9574 34.8668 PRESSAVG: 2825800 102.911 2.12006 -39.4912 2.12012 -31.5193 -24.0873 -39.4913 -24.0873 -53.1745 GPRESSAVG: 2825800 102.896 6.63669 -38.8778 0.0385132 -30.8652 -24.052 -37.562 -24.4839 -53.5387 TIMING: 2825800 CPU: 8425.22, 0.0029564/step Wall: 8425.22, 0.0029564/step, 1.7855 hours remaining, 206.937500 MB of memory in use. ENERGY: 2825800 746.3029 2094.2576 1953.6185 107.9759 -206787.8756 18057.2693 0.0000 0.0000 34328.5935 -149499.8580 299.8001 -183828.4515 -149406.6827 298.2754 24.6575 60.2491 557077.9078 6.0723 6.1641 PRESSURE: 2826000 -200.848 18.4119 111.985 18.411 90.1123 20.5099 111.984 20.5104 -5.05369 GPRESSURE: 2826000 -84.4434 -28.7409 104.405 62.8317 64.5297 123.519 179.815 -77.4239 10.0434 PRESSAVG: 2826000 36.4006 46.2969 -36.4503 46.2969 -41.5762 31.4426 -36.4504 31.4426 -5.94664 GPRESSAVG: 2826000 37.9118 45.3042 -35.4323 47.4113 -42.8084 31.2356 -37.5766 32.7278 -6.19336 TIMING: 2826000 CPU: 8425.81, 0.00295904/step Wall: 8425.81, 0.00295904/step, 1.78693 hours remaining, 206.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2826000 755.2189 2127.4352 1908.8914 97.6661 -206586.1586 17981.5957 0.0000 0.0000 34110.7335 -149604.6178 297.8975 -183715.3513 -149504.9048 298.5354 -38.5964 -3.2901 555091.3053 -3.7074 -3.6966 PRESSURE: 2826200 22.611 -98.4255 25.2856 -98.4277 -72.7762 17.9905 25.2857 17.9901 131.695 GPRESSURE: 2826200 32.5393 -48.082 58.5364 -202.84 -16.2975 -44.7599 37.6739 26.5798 162.465 PRESSAVG: 2826200 -52.08 2.97752 28.1017 2.97748 19.0686 -22.911 28.1017 -22.9112 14.0802 GPRESSAVG: 2826200 -53.2617 0.344118 24.7946 3.83519 19.9153 -24.2849 28.9196 -22.6936 14.5754 TIMING: 2826200 CPU: 8426.4, 0.00297279/step Wall: 8426.4, 0.00297279/step, 1.79507 hours remaining, 206.937500 MB of memory in use. ENERGY: 2826200 731.4531 2085.3726 1925.8638 105.3868 -206519.2704 17849.2635 0.0000 0.0000 34201.6342 -149620.2964 298.6914 -183821.9306 -149525.1191 298.0546 27.1765 59.5690 555444.8455 -6.3104 -6.2570 PRESSURE: 2826400 13.0791 69.5567 -101.73 69.5574 165.938 -21.6125 -101.729 -21.6143 -129.08 GPRESSURE: 2826400 74.0241 -44.3552 -20.0788 122.628 165.055 -137.866 -157.842 53.2062 -93.0893 PRESSAVG: 2826400 -11.4551 29.6452 -16.5288 29.6451 -48.3851 10.3684 -16.5288 10.3684 106.423 GPRESSAVG: 2826400 -13.0906 30.2236 -14.6964 28.9407 -47.0854 12.2541 -18.3301 8.18899 106.153 TIMING: 2826400 CPU: 8427, 0.0029905/step Wall: 8427, 0.0029905/step, 1.8056 hours remaining, 206.937500 MB of memory in use. ENERGY: 2826400 729.4449 2074.5901 1948.4478 112.1160 -206194.2776 17828.6966 0.0000 0.0000 33998.9200 -149502.0622 296.9210 -183500.9822 -149407.5516 297.7395 16.6458 48.6633 558153.8428 15.5274 15.3257 PRESSURE: 2826600 -166.74 -37.052 -6.14786 -37.0525 -133.435 -163.726 -6.14799 -163.726 -208.678 GPRESSURE: 2826600 -143.283 -87.1669 -28.2102 -32.729 -103.44 -135.008 -43.3962 -200.733 -147.749 PRESSAVG: 2826600 -7.133 -21.1328 -1.48517 -21.1328 7.63894 -7.26808 -1.48518 -7.26803 10.0968 GPRESSAVG: 2826600 -6.68089 -20.5729 -1.2294 -20.6101 6.4486 -5.95548 -0.0407114 -8.23365 10.7078 TIMING: 2826600 CPU: 8427.6, 0.00300393/step Wall: 8427.6, 0.00300393/step, 1.81354 hours remaining, 206.937500 MB of memory in use. ENERGY: 2826600 760.0753 2057.8058 1918.5135 113.1228 -206483.6192 17808.1025 0.0000 0.0000 33909.4822 -149916.5171 296.1399 -183825.9993 -149826.4818 298.3092 -169.6177 -131.4910 558610.1800 3.5342 3.4918 PRESSURE: 2826800 210.682 188.77 -97.9061 188.771 22.7525 -37.7479 -97.9053 -37.7479 -45.4346 GPRESSURE: 2826800 310.872 268.397 -64.6344 113.285 2.07869 -33.8507 -169.054 -14.5627 -26.3653 PRESSAVG: 2826800 26.7432 -35.5254 -23.6462 -35.5254 -6.16815 8.39935 -23.6462 8.39928 -8.1689 GPRESSAVG: 2826800 27.8526 -35.4312 -23.3387 -35.0092 -5.81863 6.43631 -25.3824 12.1808 -9.68218 TIMING: 2826800 CPU: 8428.21, 0.0030354/step Wall: 8428.21, 0.0030354/step, 1.83237 hours remaining, 206.937500 MB of memory in use. ENERGY: 2826800 761.6715 2058.5409 1948.4092 118.4229 -206938.3940 18057.4208 0.0000 0.0000 34102.5960 -149891.3327 297.8265 -183993.9287 -149790.6084 297.5789 62.6668 95.5284 556893.7895 4.1354 4.1172 PRESSURE: 2827000 71.7614 186.177 61.2901 186.178 -92.0669 -97.8975 61.2906 -97.897 -282.784 GPRESSURE: 2827000 134.643 197.727 47.4487 184.585 -142.544 -52.1511 119.722 -223.822 -205.679 PRESSAVG: 2827000 49.7405 20.7516 -47.267 20.7516 -48.902 11.3571 -47.2669 11.357 -36.2847 GPRESSAVG: 2827000 48.7572 19.5633 -47.9603 21.3952 -48.4807 10.7703 -45.8112 10.7841 -35.7714 TIMING: 2827000 CPU: 8428.81, 0.0030037/step Wall: 8428.81, 0.0030037/step, 1.81307 hours remaining, 206.937500 MB of memory in use. ENERGY: 2827000 759.8070 2116.9478 1962.7414 114.0709 -206313.1833 17655.4512 0.0000 0.0000 33955.7449 -149748.4199 296.5440 -183704.1649 -149657.0169 297.7152 -101.0298 -71.1934 557916.4303 -11.8154 -11.8317 PRESSURE: 2827200 -88.3705 -140.835 26.3349 -140.835 -64.4473 30.408 26.335 30.4071 -170.216 GPRESSURE: 2827200 -75.1933 -99.4156 55.5535 -29.3589 -56.1027 14.2334 32.8258 73.413 -95.4317 PRESSAVG: 2827200 7.62557 2.81714 8.73398 2.81708 -10.9503 -48.1971 8.73404 -48.1971 29.8388 GPRESSAVG: 2827200 7.43045 4.09015 8.95503 2.09065 -11.3616 -46.6514 9.25017 -48.3654 30.1193 TIMING: 2827200 CPU: 8429.41, 0.00298859/step Wall: 8429.41, 0.00298859/step, 1.80378 hours remaining, 206.937500 MB of memory in use. ENERGY: 2827200 754.4815 2109.5903 1944.9319 107.9937 -206440.1329 17778.6805 0.0000 0.0000 34038.5641 -149705.8908 297.2672 -183744.4549 -149608.2905 298.3411 -107.6781 -75.5759 556910.3292 8.8380 8.7294 PRESSURE: 2827400 -104.657 -98.4649 -87.0171 -98.466 -232.188 -134.231 -87.0177 -134.233 -52.1275 GPRESSURE: 2827400 -94.7391 -83.2391 -49.9698 -86.5762 -199.052 -140.686 -66.0948 -158.581 5.28387 PRESSAVG: 2827400 3.79042 -4.67844 7.65638 -4.67842 -83.3057 -78.1651 7.65633 -78.1651 32.4925 GPRESSAVG: 2827400 4.60549 -4.48174 8.98382 -5.00297 -81.7287 -78.7955 3.68901 -78.3817 30.3908 TIMING: 2827400 CPU: 8430, 0.00295377/step Wall: 8430, 0.00295377/step, 1.7826 hours remaining, 206.937500 MB of memory in use. ENERGY: 2827400 768.1668 2015.7660 1907.1238 112.2873 -206507.3728 17801.5336 0.0000 0.0000 34181.5915 -149720.9039 298.5163 -183902.4954 -149620.6355 297.9420 -129.6573 -96.1691 557724.4630 -15.6742 -15.5775 PRESSURE: 2827600 135.287 75.6858 30.1738 75.6848 -217.32 -128.16 30.1741 -128.159 -260.677 GPRESSURE: 2827600 179.43 106.565 -31.4071 29.435 -217.398 -150.755 62.6117 -89.7673 -192.534 PRESSAVG: 2827600 66.3387 -39.1682 35.7027 -39.1682 -10.5787 -63.7328 35.7028 -63.7328 -36.9056 GPRESSAVG: 2827600 65.8416 -39.0416 33.765 -37.7627 -10.9845 -63.1468 38.3619 -64.6252 -35.9237 TIMING: 2827600 CPU: 8430.6, 0.00299106/step Wall: 8430.6, 0.00299106/step, 1.80494 hours remaining, 206.937500 MB of memory in use. ENERGY: 2827600 724.9361 2021.4130 1946.0201 125.0941 -205888.4610 17442.3123 0.0000 0.0000 33925.6214 -149703.0641 296.2809 -183628.6855 -149612.2448 296.9943 -114.2366 -76.8341 556900.2696 6.2848 6.3111 PRESSURE: 2827800 -212.958 12.0858 23.9472 12.0867 -198.085 129.933 23.9452 129.932 -310.284 GPRESSURE: 2827800 -212.419 -60.0881 57.4298 24.5165 -139.261 77.1328 -11.5932 238.99 -268.789 PRESSAVG: 2827800 29.9538 11.6411 50.7148 11.641 18.3144 -63.5465 50.7148 -63.5464 -53.2506 GPRESSAVG: 2827800 29.7051 13.0557 50.5885 9.29137 18.2747 -64.3457 51.1496 -62.8619 -53.0688 TIMING: 2827800 CPU: 8431.19, 0.00294667/step Wall: 8431.19, 0.00294667/step, 1.77799 hours remaining, 206.937500 MB of memory in use. ENERGY: 2827800 779.2752 2054.6709 1938.1069 124.9131 -206516.1820 17618.8307 0.0000 0.0000 34290.0158 -149710.3694 299.4632 -184000.3852 -149615.2541 297.9027 -240.4421 -206.8231 556414.5976 -1.6608 -1.6963 PRESSURE: 2828000 -265.12 45.0321 -167.598 45.0324 -216.521 -93.5199 -167.598 -93.5196 80.8706 GPRESSURE: 2828000 -222.442 19.9661 -115.604 23.7204 -122.253 -41.167 -154.359 -42.7842 43.0192 PRESSAVG: 2828000 19.5104 25.4232 -3.91242 25.4232 -11.269 -41.7435 -3.91244 -41.7435 5.48893 GPRESSAVG: 2828000 19.868 22.2269 -3.87338 26.345 -10.62 -41.6896 -4.07697 -41.258 4.22339 TIMING: 2828000 CPU: 8431.78, 0.00297943/step Wall: 8431.78, 0.00297943/step, 1.79759 hours remaining, 206.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2828000 723.3641 2077.2017 1945.6996 104.2603 -206274.6402 17640.6657 0.0000 0.0000 33977.0637 -149806.3851 296.7301 -183783.4488 -149711.0955 297.7134 -133.5903 -100.5584 557184.1320 4.5768 4.4905 PRESSURE: 2828200 -29.136 -168.446 25.8927 -168.446 -70.0415 -151.875 25.8922 -151.875 121.381 GPRESSURE: 2828200 -67.1116 -209.198 -19.3655 -141.327 14.4362 -98.9739 -14.613 -177.377 180.906 PRESSAVG: 2828200 -13.1568 31.969 -36.3486 31.969 46.5819 22.8497 -36.3485 22.8497 -22.2557 GPRESSAVG: 2828200 -14.7355 32.0164 -37.0584 31.0058 47.7667 23.6539 -36.8201 20.5827 -22.0513 TIMING: 2828200 CPU: 8432.38, 0.0029797/step Wall: 8432.38, 0.0029797/step, 1.79758 hours remaining, 206.937500 MB of memory in use. ENERGY: 2828200 751.5763 2055.4523 1951.4644 117.8405 -206785.5068 17928.1528 0.0000 0.0000 33989.7364 -149991.2840 296.8408 -183981.0205 -149901.7072 296.8572 7.4010 42.7436 556432.9749 3.7231 3.6600 LDB: ============= START OF LOAD BALANCING ============== 8435.93 LDB: ============== END OF LOAD BALANCING =============== 8435.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8435.93 LDB: ============= START OF LOAD BALANCING ============== 8436.23 LDB: Largest compute 4773 load 0.027815 is 23.5% of average load 0.118267 LDB: Average compute 0.001732 is 1.5% of average load 0.118267 LDB: TIME 8436.23 LOAD: AVG 0.118267 MAX 0.20433 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 8436.23 LOAD: AVG 0.118267 MAX 0.20433 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.934 MB LDB: TIME 8436.23 LOAD: AVG 0.118267 MAX 0.20433 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.934 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8436.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8436.24 PRESSURE: 2828400 -121.166 -5.88052 -20.6279 -5.87909 113.403 83.694 -20.6268 83.6944 -188.272 GPRESSURE: 2828400 -41.9815 -5.81598 23.855 11.6857 133.835 45.3607 -27.2365 77.0544 -181.881 PRESSAVG: 2828400 -41.6536 -22.1995 -30.6233 -22.1994 29.2972 -9.62278 -30.6233 -9.62274 4.66127 GPRESSAVG: 2828400 -40.4528 -22.4749 -30.929 -20.0462 27.1994 -9.4551 -31.0399 -8.77701 6.06006 TIMING: 2828400 CPU: 8432.99, 0.00304995/step Wall: 8432.99, 0.00304995/step, 1.8398 hours remaining, 206.734375 MB of memory in use. ENERGY: 2828400 759.6971 1995.3471 1951.9923 100.5695 -206489.2449 17714.4907 0.0000 0.0000 33995.7612 -149971.3870 296.8934 -183967.1482 -149869.4720 296.8146 -65.3450 -30.0093 555114.0880 -2.5650 -2.3978 PRESSURE: 2828600 -158.016 -28.124 -27.4486 -28.1246 -148.266 -250.149 -27.45 -250.15 -225.086 GPRESSURE: 2828600 -137.449 -100.8 15.0624 9.78344 -114.132 -212.736 -33.0501 -279.145 -194.399 PRESSAVG: 2828600 -11.8552 24.5609 10.627 24.561 -48.565 -23.3331 10.6271 -23.3331 77.2387 GPRESSAVG: 2828600 -12.209 25.4327 11.5352 25.0112 -48.4133 -24.333 10.2839 -22.4773 77.035 TIMING: 2828600 CPU: 8433.58, 0.00297351/step Wall: 8433.58, 0.00297351/step, 1.79352 hours remaining, 206.734375 MB of memory in use. ENERGY: 2828600 744.6175 2158.5183 1924.4533 107.8533 -206307.6678 17641.5786 0.0000 0.0000 33847.9735 -149882.6734 295.6028 -183730.6469 -149789.9596 297.3914 -177.1223 -148.6599 557273.1975 5.6062 5.4709 PRESSURE: 2828800 -153.705 -18.1389 -54.765 -18.139 -74.8884 83.6662 -54.765 83.6673 -78.8603 GPRESSURE: 2828800 -109.433 5.41133 -58.9929 -5.55251 8.55104 68.3612 -65.0371 38.6365 -105.324 PRESSAVG: 2828800 -61.639 35.4625 -37.2715 35.4624 19.4362 47.4959 -37.2716 47.496 24.8358 GPRESSAVG: 2828800 -61.3556 36.779 -37.9595 34.5436 19.6387 46.7384 -35.5206 47.1478 24.1884 TIMING: 2828800 CPU: 8434.18, 0.00297999/step Wall: 8434.18, 0.00297999/step, 1.79726 hours remaining, 206.734375 MB of memory in use. ENERGY: 2828800 754.4549 2074.6096 1933.9848 102.2130 -206649.3586 17852.3886 0.0000 0.0000 34084.2204 -149847.4874 297.6660 -183931.7078 -149754.8420 296.8591 -102.4846 -68.7352 557530.3488 -5.7890 -5.8428 PRESSURE: 2829000 -70.1615 -9.25937 -119.553 -9.25987 39.5739 10.1784 -119.554 10.1804 -133.696 GPRESSURE: 2829000 -47.1103 -20.2067 -112.157 65.1743 53.6388 51.8078 -196.735 -57.1945 -81.3981 PRESSAVG: 2829000 3.75861 -29.8275 48.1371 -29.8275 3.28182 -9.35163 48.1371 -9.35152 -9.5885 GPRESSAVG: 2829000 3.5356 -30.9499 46.4799 -28.4985 2.77144 -7.25958 47.1676 -9.59693 -9.05155 TIMING: 2829000 CPU: 8434.77, 0.00295898/step Wall: 8434.77, 0.00295898/step, 1.78443 hours remaining, 206.734375 MB of memory in use. ENERGY: 2829000 728.1291 2069.4481 1920.4079 120.8264 -206416.3554 17775.8787 0.0000 0.0000 34305.2570 -149496.4082 299.5963 -183801.6652 -149404.5141 297.8185 -54.7612 -24.9565 557191.0147 -0.8494 -0.9148 PRESSURE: 2829200 3.63812 27.2824 -13.0273 27.2828 48.6913 -36.4019 -13.0275 -36.4017 -137.313 GPRESSURE: 2829200 37.961 33.7744 28.1179 36.3432 109.126 -20.4943 -43.1752 -120.53 -120.25 PRESSAVG: 2829200 4.92584 40.7245 -27.5522 40.7245 43.2749 -26.3419 -27.5523 -26.3417 -58.7844 GPRESSAVG: 2829200 4.61563 39.9514 -25.7677 39.6128 44.8043 -26.927 -26.658 -25.7298 -59.6714 TIMING: 2829200 CPU: 8435.36, 0.00295199/step Wall: 8435.36, 0.00295199/step, 1.78005 hours remaining, 206.734375 MB of memory in use. ENERGY: 2829200 730.2330 2080.2374 1930.9420 126.5303 -206325.3076 17765.3982 0.0000 0.0000 34352.4003 -149339.5665 300.0081 -183691.9668 -149244.8142 298.8908 -28.3278 8.9456 557073.9939 -3.5279 -3.4172 PRESSURE: 2829400 -43.6125 112.735 50.8792 112.735 -73.1648 -98.2217 50.879 -98.221 64.0495 GPRESSURE: 2829400 58.8601 162.115 50.7576 94.7356 -0.138604 -81.5928 59.5714 -134.54 -4.81877 PRESSAVG: 2829400 4.87691 16.9458 14.1465 16.9458 65.6383 13.4238 14.1465 13.424 -68.3891 GPRESSAVG: 2829400 4.66851 14.6867 13.7721 18.5785 66.3581 11.9701 12.8059 13.403 -68.3523 TIMING: 2829400 CPU: 8435.96, 0.00297572/step Wall: 8435.96, 0.00297572/step, 1.79419 hours remaining, 206.734375 MB of memory in use. ENERGY: 2829400 761.1888 2051.4725 1920.6757 109.6043 -206630.6687 18048.4258 0.0000 0.0000 34566.2827 -149173.0189 301.8759 -183739.3016 -149075.8721 299.6477 -17.5759 17.9676 557991.2573 0.7087 0.8914 PRESSURE: 2829600 -361.922 -100.285 84.3014 -100.285 17.4264 -80.6088 84.3028 -80.608 91.6435 GPRESSURE: 2829600 -366.857 -8.51075 77.8638 -175.949 60.805 -47.8721 55.0014 -166.958 156.514 PRESSAVG: 2829600 -24.4858 -68.3846 -8.29066 -68.3846 38.865 -14.0376 -8.29067 -14.0376 -28.9785 GPRESSAVG: 2829600 -24.4831 -66.2821 -9.38608 -71.5547 37.4505 -12.9671 -8.29621 -13.9448 -27.5728 TIMING: 2829600 CPU: 8436.55, 0.00297323/step Wall: 8436.55, 0.00297323/step, 1.79253 hours remaining, 206.734375 MB of memory in use. ENERGY: 2829600 771.5075 2100.9552 1920.3152 111.3468 -206309.6793 17824.2621 0.0000 0.0000 34087.9192 -149493.3734 297.6983 -183581.2926 -149401.4503 299.1712 -84.2841 -49.8458 557713.7192 -4.8664 -4.8685 PRESSURE: 2829800 95.0496 -20.7805 -93.5669 -20.7815 204.816 -32.6156 -93.5676 -32.6168 155.4 GPRESSURE: 2829800 132.906 -19.1773 -104.217 -28.1754 222.025 -75.8062 -110.166 10.3499 191.978 PRESSAVG: 2829800 -80.0681 -20.8246 -1.5385 -20.8245 63.1988 -31.2394 -1.53845 -31.2394 30.1692 GPRESSAVG: 2829800 -80.1368 -20.4911 -1.05487 -20.5451 62.8397 -31.086 0.64643 -31.1183 30.4172 TIMING: 2829800 CPU: 8437.15, 0.00300029/step Wall: 8437.15, 0.00300029/step, 1.80867 hours remaining, 206.734375 MB of memory in use. ENERGY: 2829800 725.9692 2172.3257 1930.6159 115.1799 -206813.9044 18202.1667 0.0000 0.0000 34107.3899 -149560.2572 297.8683 -183667.6470 -149466.0253 298.6750 151.7553 182.3028 555726.2191 4.4333 4.3734 PRESSURE: 2830000 -156.319 49.0173 33.1384 49.0161 -79.9784 -176.179 33.139 -176.178 -135.234 GPRESSURE: 2830000 -119.896 90.4133 90.7739 -62.0009 -51.5415 -116.296 58.8512 -208.498 -109.445 PRESSAVG: 2830000 16.7756 -40.555 -8.91433 -40.5551 -10.6249 -18.0821 -8.91434 -18.0821 50.79 GPRESSAVG: 2830000 16.6478 -39.4209 -8.27335 -41.5522 -10.9195 -17.3829 -8.07627 -17.276 50.9229 TIMING: 2830000 CPU: 8437.75, 0.00298049/step Wall: 8437.75, 0.00298049/step, 1.79657 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2830000 720.4291 2152.0637 1912.8254 103.8966 -206418.0993 17731.8157 0.0000 0.0000 34355.2126 -149441.8564 300.0326 -183797.0689 -149345.1050 299.1206 -123.8436 -93.6274 557099.6813 18.9802 18.8837 PRESSURE: 2830200 198.285 -82.3379 -44.319 -82.3362 -47.7226 38.186 -44.3196 38.1865 330.252 GPRESSURE: 2830200 244.274 -41.7404 3.93363 -55.6036 -18.7147 -10.7755 29.9794 87.6928 351.853 PRESSAVG: 2830200 -43.5006 -19.3111 14.3747 -19.3111 9.54893 -52.1796 14.3747 -52.1794 45.1019 GPRESSAVG: 2830200 -44.1513 -21.8092 14.3777 -17.7795 10.0053 -54.0576 12.6977 -51.8166 44.5494 TIMING: 2830200 CPU: 8438.34, 0.0029781/step Wall: 8438.34, 0.0029781/step, 1.79497 hours remaining, 206.734375 MB of memory in use. ENERGY: 2830200 733.5422 2121.6982 1925.2900 109.3385 -206861.8721 18130.5357 0.0000 0.0000 34437.1732 -149404.2943 300.7484 -183841.4675 -149314.7839 299.8313 160.2716 192.4706 556711.8318 3.7167 3.4678 PRESSURE: 2830400 267.155 -64.93 -88.5769 -64.9293 204.379 -48.1971 -88.5776 -48.1967 15.9016 GPRESSURE: 2830400 331.212 -167.537 -64.5478 29.741 210.732 54.3399 -35.0055 66.205 58.5558 PRESSAVG: 2830400 14.2991 -24.2612 -11.3476 -24.2612 -32.6641 -30.7642 -11.3477 -30.7642 21.8747 GPRESSAVG: 2830400 14.0281 -23.5976 -10.7057 -25.4043 -33.1314 -28.5989 -11.684 -33.594 22.9286 TIMING: 2830400 CPU: 8438.94, 0.00299295/step Wall: 8438.94, 0.00299295/step, 1.80375 hours remaining, 206.734375 MB of memory in use. ENERGY: 2830400 739.7745 2086.8805 1907.2378 102.9856 -206430.7258 18052.5748 0.0000 0.0000 34131.9714 -149409.3012 298.0830 -183541.2726 -149312.0323 299.1589 162.4787 200.1666 556340.7803 1.1699 1.2751 PRESSURE: 2830600 -42.4153 31.1515 -25.4761 31.1528 -246.274 -144.12 -25.4761 -144.12 -44.9611 GPRESSURE: 2830600 -14.1015 -33.3871 -111.861 70.6743 -171.97 -226.376 -45.1466 -144.155 -51.2079 PRESSAVG: 2830600 -18.9173 18.2988 28.3502 18.2987 -99.5373 -6.34432 28.3502 -6.34427 76.568 GPRESSAVG: 2830600 -18.586 17.9462 25.6206 22.0181 -99.2929 -8.47731 29.0583 -2.97609 76.6342 TIMING: 2830600 CPU: 8439.54, 0.00297497/step Wall: 8439.54, 0.00297497/step, 1.79275 hours remaining, 206.734375 MB of memory in use. ENERGY: 2830600 746.6255 2135.1719 1910.7355 115.6780 -206403.8508 17808.8568 0.0000 0.0000 34189.7718 -149497.0113 298.5878 -183686.7831 -149399.9577 298.9253 -111.2168 -79.0931 559151.6661 -13.9622 -13.7482 PRESSURE: 2830800 262.923 170.689 117.222 170.688 119.888 -0.308668 117.223 -0.308994 25.1352 GPRESSURE: 2830800 250.076 165.609 131.352 136.599 171.389 9.25165 105.422 -45.5308 77.4187 PRESSAVG: 2830800 11.8194 40.3219 41.8001 40.3219 -16.9075 2.76425 41.8002 2.76421 11.5733 GPRESSAVG: 2830800 11.6968 42.313 43.4743 37.9932 -15.6534 4.79099 42.4792 1.46533 10.4765 TIMING: 2830800 CPU: 8440.13, 0.00297121/step Wall: 8440.13, 0.00297121/step, 1.79032 hours remaining, 206.734375 MB of memory in use. ENERGY: 2830800 713.2125 2090.5722 1936.4858 119.5306 -206525.0587 18077.1244 0.0000 0.0000 34200.1825 -149387.9507 298.6787 -183588.1332 -149301.3721 298.8589 135.9822 166.2946 557497.0525 2.1617 2.1733 PRESSURE: 2831000 56.1546 -53.1925 48.1966 -53.1925 85.659 -5.97496 48.1973 -5.97414 49.5868 GPRESSURE: 2831000 121.727 -126.345 93.5814 39.9596 107.837 85.2901 5.76346 -84.0005 55.4492 PRESSAVG: 2831000 -40.26 -23.0308 30.4513 -23.0308 -6.61403 -21.6591 30.4513 -21.659 67.3017 GPRESSAVG: 2831000 -39.6889 -23.7772 30.7606 -22.4592 -8.32769 -21.4339 29.9049 -21.2186 68.3849 TIMING: 2831000 CPU: 8440.72, 0.00295963/step Wall: 8440.72, 0.00295963/step, 1.78318 hours remaining, 206.734375 MB of memory in use. ENERGY: 2831000 766.6669 2086.1790 1910.3737 126.6346 -206525.6765 17885.8607 0.0000 0.0000 34370.0150 -149379.9466 300.1619 -183749.9616 -149285.4993 299.3726 63.8001 95.0044 556419.7334 6.8092 6.7894 PRESSURE: 2831200 -25.6127 55.9051 75.3321 55.905 -112.002 -12.3772 75.3321 -12.3767 -1.12795 GPRESSURE: 2831200 -6.52842 -9.58121 77.728 102.506 -109.457 -45.2996 119.792 -6.85013 74.1073 PRESSAVG: 2831200 -33.69 46.2362 -23.5818 46.2362 57.357 20.9011 -23.5817 20.9011 -46.2812 GPRESSAVG: 2831200 -35.5945 45.238 -22.4205 47.3076 58.4011 18.888 -24.4044 20.7704 -46.4071 TIMING: 2831200 CPU: 8441.31, 0.00293593/step Wall: 8441.31, 0.00293593/step, 1.76874 hours remaining, 206.734375 MB of memory in use. ENERGY: 2831200 749.2617 2136.0274 1960.2144 110.8170 -206343.5170 17697.3053 0.0000 0.0000 34266.9251 -149422.9661 299.2616 -183689.8912 -149335.1403 299.4766 -46.2477 -13.9593 557069.8186 -7.5381 -7.8668 PRESSURE: 2831400 -336.876 -8.28073 -88.3487 -8.27972 57.2342 -56.5689 -88.3494 -56.5691 -3.58819 GPRESSURE: 2831400 -287.169 -5.07557 -87.8029 -57.5825 43.4478 -44.9991 -187.072 -98.9984 53.4996 PRESSAVG: 2831400 -25.3471 42.6249 -68.2477 42.6249 -10.567 -84.2077 -68.2478 -84.2076 21.0941 GPRESSAVG: 2831400 -25.7341 44.2573 -67.7089 41.202 -10.9103 -84.228 -68.2721 -83.8359 21.4466 TIMING: 2831400 CPU: 8441.9, 0.00295031/step Wall: 8441.9, 0.00295031/step, 1.77723 hours remaining, 206.734375 MB of memory in use. ENERGY: 2831400 776.7732 2097.6842 1931.5897 108.7525 -206416.2244 17828.3760 0.0000 0.0000 34309.4048 -149363.6440 299.6326 -183673.0488 -149272.1867 299.0767 -94.4101 -63.4073 557343.4974 -4.9400 -5.0659 PRESSURE: 2831600 1.57046 61.8367 109.549 61.8353 110.124 -83.7171 109.549 -83.7187 -325.361 GPRESSURE: 2831600 -12.0928 -15.0821 103.844 111.576 127.235 -35.2957 75.2653 -119.213 -226.891 PRESSAVG: 2831600 -110.589 -22.6546 -1.76104 -22.6547 88.1064 75.0103 -1.76098 75.0103 25.9851 GPRESSAVG: 2831600 -110.131 -24.3116 -3.70659 -22.921 87.6636 76.6146 0.407791 72.5275 25.65 TIMING: 2831600 CPU: 8442.49, 0.00294062/step Wall: 8442.49, 0.00294062/step, 1.77123 hours remaining, 206.734375 MB of memory in use. ENERGY: 2831600 758.3571 2087.2589 1927.4405 117.2765 -205964.5747 17561.4603 0.0000 0.0000 34287.4034 -149225.3780 299.4404 -183512.7814 -149124.6061 298.2471 -71.2221 -37.2498 557359.5412 1.1675 1.0610 PRESSURE: 2831800 87.1381 154.484 -25.9452 154.485 -94.9499 -64.281 -25.9453 -64.2811 -32.7276 GPRESSURE: 2831800 166.783 191.742 -87.55 171.56 -107.511 -51.0591 -55.9779 -11.1024 -2.42399 PRESSAVG: 2831800 5.3447 -13.7511 52.3064 -13.751 20.355 35.0303 52.3064 35.0303 -3.45559 GPRESSAVG: 2831800 5.65233 -12.5269 51.6443 -13.1813 20.4317 34.9279 52.6859 36.4347 -3.85628 TIMING: 2831800 CPU: 8443.08, 0.00296817/step Wall: 8443.08, 0.00296817/step, 1.78767 hours remaining, 206.734375 MB of memory in use. ENERGY: 2831800 761.9975 2059.0237 1965.3758 93.8750 -206514.8174 17884.9762 0.0000 0.0000 34509.8067 -149239.7626 301.3827 -183749.5694 -149138.3485 299.6580 -13.5131 18.9493 557912.4876 7.4147 7.4093 PRESSURE: 2832000 -149.276 97.0754 -26.1047 97.0769 37.5888 -21.2663 -26.104 -21.2683 -113.258 GPRESSURE: 2832000 -134.275 132.496 -4.91663 61.68 78.8713 -36.8535 -11.8425 -76.5008 -67.9561 PRESSAVG: 2832000 -75.3625 13.0532 -15.5727 13.0531 2.29595 -6.02893 -15.5727 -6.029 77.1046 GPRESSAVG: 2832000 -76.3605 11.6917 -16.812 14.9386 3.08518 -9.25674 -16.8188 -4.98765 77.3111 TIMING: 2832000 CPU: 8443.67, 0.00296709/step Wall: 8443.67, 0.00296709/step, 1.78685 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2832000 792.9208 2056.7503 1933.9278 106.8132 -206302.7620 17794.5985 0.0000 0.0000 34231.5740 -149386.1775 298.9528 -183617.7514 -149295.2458 298.9385 -74.9817 -41.1198 556996.5137 1.3460 1.3453 PRESSURE: 2832200 92.1173 3.80002 -14.1449 3.79962 50.5756 180.143 -14.1447 180.143 105.288 GPRESSURE: 2832200 146.788 20.9177 76.809 -27.5821 48.6151 195.367 -37.8014 200.915 149.126 PRESSAVG: 2832200 -75.0376 -26.9257 7.03201 -26.9257 7.12242 -29.9615 7.03209 -29.9614 28.3405 GPRESSAVG: 2832200 -75.5232 -27.0271 10.7679 -28.622 7.92124 -24.7254 5.32999 -32.5695 27.9435 TIMING: 2832200 CPU: 8444.28, 0.00302187/step Wall: 8444.28, 0.00302187/step, 1.81967 hours remaining, 206.734375 MB of memory in use. ENERGY: 2832200 777.1094 2092.2272 1951.9381 107.0176 -206540.2806 18044.6932 0.0000 0.0000 34213.2025 -149354.0926 298.7924 -183567.2951 -149252.9631 298.9443 82.6605 114.8430 557066.1424 -13.1916 -13.2195 LDB: ============= START OF LOAD BALANCING ============== 8447.83 LDB: ============== END OF LOAD BALANCING =============== 8447.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8447.84 LDB: ============= START OF LOAD BALANCING ============== 8448.14 LDB: Largest compute 4773 load 0.027762 is 23.5% of average load 0.118258 LDB: Average compute 0.001733 is 1.5% of average load 0.118258 LDB: TIME 8448.14 LOAD: AVG 0.118258 MAX 0.207043 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 8448.14 LOAD: AVG 0.118258 MAX 0.207043 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.328 MB LDB: TIME 8448.14 LOAD: AVG 0.118258 MAX 0.207043 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.328 MB LDB: ============== END OF LOAD BALANCING =============== 8448.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8448.15 PRESSURE: 2832400 -251.103 -24.8161 -153.426 -24.8171 115.314 -171.638 -153.426 -171.637 -160.909 GPRESSURE: 2832400 -262.405 -89.7975 -154.005 -12.3421 147.957 -147.157 -98.7387 -241.254 -99.9705 PRESSAVG: 2832400 15.2444 2.50761 -11.9995 2.50753 0.598761 -29.6442 -11.9995 -29.6441 16.9974 GPRESSAVG: 2832400 15.3716 2.44473 -14.2023 2.15007 0.525374 -31.8406 -8.9943 -28.8892 16.4714 TIMING: 2832400 CPU: 8444.9, 0.0030952/step Wall: 8444.9, 0.0030952/step, 1.86365 hours remaining, 207.437500 MB of memory in use. ENERGY: 2832400 749.5552 2025.5312 1926.5819 109.3177 -206330.8457 17875.4370 0.0000 0.0000 34218.3800 -149426.0428 298.8376 -183644.4228 -149325.3166 299.6483 -98.8990 -71.4728 558153.6793 10.9468 10.7894 PRESSURE: 2832600 -7.24491 -48.1853 26.6796 -48.1859 -20.713 40.367 26.68 40.3669 64.0894 GPRESSURE: 2832600 3.92221 -53.6422 3.14721 -51.7781 39.722 74.4686 18.4975 76.0262 82.9963 PRESSAVG: 2832600 -23.1334 -67.2496 -45.25 -67.2497 13.548 -6.43767 -45.2501 -6.43768 -18.5834 GPRESSAVG: 2832600 -22.0081 -65.1259 -44.5175 -66.4826 12.5065 -6.73783 -47.4448 -5.98054 -18.2687 TIMING: 2832600 CPU: 8445.5, 0.00299156/step Wall: 8445.5, 0.00299156/step, 1.80108 hours remaining, 207.437500 MB of memory in use. ENERGY: 2832600 739.2046 2081.8836 1957.1419 125.5417 -206403.8349 17954.4954 0.0000 0.0000 34054.3466 -149491.2211 297.4051 -183545.5677 -149402.8792 298.6506 12.0438 42.2135 557562.0211 -9.3896 -9.2568 PRESSURE: 2832800 -113.004 -23.5276 18.9278 -23.5269 -79.865 -68.1213 18.9266 -68.1188 -90.6194 GPRESSURE: 2832800 -82.721 -115.812 14.6383 77.58 -24.3756 -95.2659 -40.6966 -99.379 -77.7204 PRESSAVG: 2832800 21.5577 -2.50807 -27.1211 -2.50801 -21.2275 46.6596 -27.1211 46.6595 -20.3402 GPRESSAVG: 2832800 21.2213 -2.80768 -27.9331 -3.4043 -21.1167 46.0723 -26.0028 47.3291 -20.1013 TIMING: 2832800 CPU: 8446.09, 0.00295732/step Wall: 8446.09, 0.00295732/step, 1.78031 hours remaining, 207.437500 MB of memory in use. ENERGY: 2832800 753.3959 2116.6823 1946.0302 100.7966 -206279.7445 17756.5613 0.0000 0.0000 33922.1216 -149684.1565 296.2503 -183606.2782 -149588.0006 297.9617 -94.4962 -61.6057 556693.7905 -6.6700 -6.6656 PRESSURE: 2833000 -157.002 92.0803 -86.0795 92.0798 -38.403 -126.335 -86.079 -126.334 110.92 GPRESSURE: 2833000 -105.75 116.877 -113.84 -58.1047 45.0812 -182.492 -103.633 -122.186 82.3561 PRESSAVG: 2833000 14.9794 -7.97215 53.0594 -7.97214 17.9367 -10.9022 53.0594 -10.9022 13.5447 GPRESSAVG: 2833000 14.1336 -9.11528 53.597 -7.32988 18.7672 -9.67631 53.0797 -11.0313 13.9776 TIMING: 2833000 CPU: 8446.68, 0.00296692/step Wall: 8446.68, 0.00296692/step, 1.78592 hours remaining, 207.437500 MB of memory in use. ENERGY: 2833000 720.5359 2091.7671 1942.6971 117.3915 -206322.8676 17832.9411 0.0000 0.0000 34170.9985 -149446.5363 298.4238 -183617.5349 -149356.2794 298.4352 -28.1616 7.2291 556923.1448 15.4869 15.6261 PRESSURE: 2833200 -129.348 19.615 -22.1286 19.6152 -169.603 6.26937 -22.1282 6.26962 28.9888 GPRESSURE: 2833200 -98.8514 28.4263 -65.7288 -38.7513 -111.604 -28.4521 -17.3599 -16.5266 36.915 PRESSAVG: 2833200 -29.7916 23.4644 64.0666 23.4645 39.2952 -48.2939 64.0666 -48.2939 -11.0987 GPRESSAVG: 2833200 -29.5418 22.747 64.0687 23.6673 39.6204 -50.2926 62.1107 -48.3729 -11.3409 TIMING: 2833200 CPU: 8447.28, 0.0029886/step Wall: 8447.28, 0.0029886/step, 1.79881 hours remaining, 207.437500 MB of memory in use. ENERGY: 2833200 708.6054 2083.8040 1935.0938 106.6006 -206088.4884 17716.2152 0.0000 0.0000 34219.2152 -149318.9542 298.8449 -183538.1694 -149224.8690 298.8977 -89.9874 -57.8468 557373.9919 -0.5317 -0.4208 PRESSURE: 2833400 142.145 -7.81988 -85.9175 -7.81954 134.487 -111.249 -85.9178 -111.25 240.004 GPRESSURE: 2833400 177.947 -40.235 -77.8967 -22.0085 158.177 -95.5332 -5.91377 -149.289 270.342 PRESSAVG: 2833400 18.6431 -38.1657 -26.4973 -38.1657 25.1288 -68.8169 -26.4973 -68.8169 -30.9464 GPRESSAVG: 2833400 17.7689 -36.1036 -26.9903 -40.7687 25.3728 -68.0908 -24.1055 -67.361 -30.6568 TIMING: 2833400 CPU: 8447.87, 0.00294963/step Wall: 8447.87, 0.00294963/step, 1.77519 hours remaining, 207.445312 MB of memory in use. ENERGY: 2833400 722.8312 2085.9236 1928.1040 117.8018 -206638.1184 18195.9437 0.0000 0.0000 34132.2153 -149455.2988 298.0851 -183587.5141 -149362.7157 298.3823 172.2120 202.1553 556791.4995 4.2751 4.1616 PRESSURE: 2833600 95.6546 130.496 53.7395 130.494 97.5759 71.7984 53.7395 71.7964 -144.7 GPRESSURE: 2833600 152.224 124.146 71.5261 148.366 166.94 43.4783 58.8531 97.9178 -155.505 PRESSAVG: 2833600 -31.1598 22.0209 18.858 22.0209 40.4845 -21.3717 18.8579 -21.3717 9.34135 GPRESSAVG: 2833600 -30.1966 21.3528 19.7072 21.8746 40.3071 -22.1203 17.954 -23.0562 8.93591 TIMING: 2833600 CPU: 8448.46, 0.00297516/step Wall: 8448.46, 0.00297516/step, 1.79039 hours remaining, 207.445312 MB of memory in use. ENERGY: 2833600 785.7017 2083.9564 1916.0026 111.8297 -206608.0911 18063.1962 0.0000 0.0000 34162.4056 -149484.9989 298.3488 -183647.4045 -149401.9270 298.5644 16.1767 54.5533 557405.2046 6.2220 6.3488 PRESSURE: 2833800 -258.47 -44.469 -110.987 -44.47 -110.206 39.0794 -110.987 39.079 -194.489 GPRESSURE: 2833800 -246.213 -63.2402 -48.4856 44.8364 -80.4108 188.757 -42.7167 -58.5522 -131.104 PRESSAVG: 2833800 48.1002 66.2066 43.6034 66.2065 23.222 47.1249 43.6034 47.125 -103.834 GPRESSAVG: 2833800 48.3264 66.291 42.9366 68.6957 21.9472 48.8579 44.5571 46.8482 -102.954 TIMING: 2833800 CPU: 8449.05, 0.00295327/step Wall: 8449.05, 0.00295327/step, 1.77705 hours remaining, 207.445312 MB of memory in use. ENERGY: 2833800 752.6499 2079.8960 1940.8248 116.5308 -206273.4410 17707.3145 0.0000 0.0000 34235.0734 -149441.1517 298.9834 -183676.2251 -149350.5784 298.5667 -187.7215 -152.5762 558932.9857 -10.8373 -10.8934 PRESSURE: 2834000 -284.152 -11.1834 -47.6497 -11.1819 -381.37 -9.49082 -47.6506 -9.49239 -98.5164 GPRESSURE: 2834000 -220.38 71.9573 -39.9727 -14.3683 -318.737 -21.0039 -42.4636 25.6644 -129.317 PRESSAVG: 2834000 13.3341 1.25796 30.5626 1.25805 -7.01587 3.29625 30.5627 3.2963 -1.32737 GPRESSAVG: 2834000 11.8647 -0.116496 30.2939 0.0772386 -5.6375 2.00678 30.643 4.70235 -1.21526 TIMING: 2834000 CPU: 8449.64, 0.00293781/step Wall: 8449.64, 0.00293781/step, 1.76758 hours remaining, 207.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2834000 767.0967 2075.0693 1955.1702 109.2552 -205989.4998 17546.8524 0.0000 0.0000 34019.7720 -149516.2841 297.1031 -183536.0561 -149425.8087 298.3539 -254.6796 -222.8113 558944.4452 1.6636 1.6706 PRESSURE: 2834200 -65.0166 -54.5192 -43.3263 -54.5189 -6.53259 -72.8581 -43.3258 -72.8596 -57.9933 GPRESSURE: 2834200 -13.7008 -46.9842 -66.4966 -31.1179 -8.91229 -91.5513 -19.2344 -121.515 -11.9741 PRESSAVG: 2834200 -45.8759 -42.9944 47.3356 -42.9945 47.1462 30.6127 47.3356 30.6126 7.68838 GPRESSAVG: 2834200 -44.7027 -41.5989 48.0444 -45.6783 45.8851 29.9046 47.112 29.4621 7.29832 TIMING: 2834200 CPU: 8450.23, 0.00295234/step Wall: 8450.23, 0.00295234/step, 1.77616 hours remaining, 207.445312 MB of memory in use. ENERGY: 2834200 720.5296 2081.4046 1922.1609 117.4933 -206619.6397 17862.0849 0.0000 0.0000 34219.4931 -149696.4734 298.8473 -183915.9665 -149598.8271 297.8712 -43.1809 -11.5291 557648.1357 2.9862 2.8269 PRESSURE: 2834400 -173.117 -53.5431 -62.3496 -53.5427 -193.001 24.3342 -62.3484 24.3351 -93.2599 GPRESSURE: 2834400 -130.077 -75.3845 -23.7432 -115.54 -195.91 106.182 -55.5324 -3.70774 -37.6124 PRESSAVG: 2834400 14.4896 -100.94 -10.5177 -100.94 15.856 6.3748 -10.5178 6.37474 -39.7125 GPRESSAVG: 2834400 12.6235 -100.696 -9.6984 -99.3385 18.2074 7.82608 -9.79619 5.71684 -40.1078 TIMING: 2834400 CPU: 8450.82, 0.00295493/step Wall: 8450.82, 0.00295493/step, 1.77755 hours remaining, 207.445312 MB of memory in use. ENERGY: 2834400 786.3463 2084.3848 1930.9473 131.0703 -206441.4484 17858.8353 0.0000 0.0000 33987.7352 -149662.1292 296.8233 -183649.8644 -149574.3810 298.0258 -153.1260 -121.1997 559098.4029 -3.1223 -3.0923 PRESSURE: 2834600 -80.9957 109.732 8.39332 109.731 -159.363 -25.2634 8.39326 -25.2628 -151.929 GPRESSURE: 2834600 -69.5646 159.556 76.2833 132.331 -133.312 -96.9709 -20.1962 -14.5108 -84.5724 PRESSAVG: 2834600 10.7101 -4.67277 -26.9749 -4.67281 -24.1415 -28.0526 -26.9749 -28.0526 9.20014 GPRESSAVG: 2834600 12.2861 -4.5774 -27.479 -5.61563 -25.6672 -27.9475 -27.9669 -27.1378 8.94583 TIMING: 2834600 CPU: 8451.42, 0.0029816/step Wall: 8451.42, 0.0029816/step, 1.79343 hours remaining, 207.445312 MB of memory in use. ENERGY: 2834600 739.9003 2072.3471 1938.0303 116.8666 -206478.7772 17785.0136 0.0000 0.0000 34089.3689 -149737.2505 297.7109 -183826.6194 -149643.1887 297.7744 -130.7625 -95.8162 557313.3830 -1.4104 -1.4784 PRESSURE: 2834800 -106.492 56.0583 -75.037 56.0593 120.264 -101.342 -75.0364 -101.343 103.7 GPRESSURE: 2834800 -121.164 28.4456 -59.4657 101.428 148.236 -65.5563 -160.387 -152.555 180.09 PRESSAVG: 2834800 46.1153 -13.912 -76.5951 -13.9119 -68.7392 -61.6506 -76.595 -61.6504 -17.7228 GPRESSAVG: 2834800 44.6429 -14.1995 -77.9985 -12.97 -67.805 -61.2519 -74.4063 -64.0212 -17.191 TIMING: 2834800 CPU: 8452.02, 0.0029867/step Wall: 8452.02, 0.0029867/step, 1.79633 hours remaining, 207.445312 MB of memory in use. ENERGY: 2834800 724.3753 2054.3584 1916.8581 122.5424 -206763.2494 18123.2257 0.0000 0.0000 34158.8815 -149663.0080 298.3180 -183821.8895 -149572.2254 297.7545 39.1575 69.0542 557764.2487 -13.4489 -13.4510 PRESSURE: 2835000 -112.745 7.30248 16.3414 7.30161 -96.4315 -205.516 16.3415 -205.517 -101.744 GPRESSURE: 2835000 -59.5341 14.9411 53.8209 30.7075 -26.6725 -201.97 -7.0759 -180.495 -129.085 PRESSAVG: 2835000 -68.1237 -2.1812 16.88 -2.18127 -4.40043 -26.1692 16.8799 -26.1691 88.9354 GPRESSAVG: 2835000 -67.5705 -2.20747 17.1268 -1.15768 -5.55298 -25.6578 15.5122 -22.504 89.3994 TIMING: 2835000 CPU: 8452.61, 0.00295431/step Wall: 8452.61, 0.00295431/step, 1.77669 hours remaining, 207.445312 MB of memory in use. ENERGY: 2835000 688.4629 2095.7074 1949.7004 125.2683 -206374.6060 17569.7059 0.0000 0.0000 34258.3884 -149687.3726 299.1870 -183945.7610 -149587.8887 297.2565 -103.6402 -71.7638 557670.7046 5.4704 5.4253 PRESSURE: 2835200 59.8454 6.20924 -33.682 6.20947 -128.355 109.642 -33.6827 109.642 80.773 GPRESSURE: 2835200 77.6015 -8.69034 -16.4446 -84.4215 -78.2593 101.487 30.1642 47.1775 118.222 PRESSAVG: 2835200 -12.7529 22.9708 -35.4489 22.9708 -4.40005 30.092 -35.4488 30.0921 4.85722 GPRESSAVG: 2835200 -12.6054 22.4414 -38.3895 21.7384 -3.96805 28.7755 -33.4936 28.6175 3.82917 TIMING: 2835200 CPU: 8453.2, 0.0029569/step Wall: 8453.2, 0.0029569/step, 1.77808 hours remaining, 207.445312 MB of memory in use. ENERGY: 2835200 698.3327 2110.2092 1918.0495 115.0684 -206553.3967 17914.6329 0.0000 0.0000 34319.2418 -149477.8622 299.7185 -183797.1039 -149379.4499 297.9064 4.0879 39.1880 556743.1867 -4.0986 -4.2481 PRESSURE: 2835400 -102.897 -187.499 52.6958 -187.499 -143.483 -124.38 52.6962 -124.381 76.9176 GPRESSURE: 2835400 -74.5201 -208.288 81.9969 -256.238 -85.4981 -158.454 47.7019 -42.794 91.9452 PRESSAVG: 2835400 -13.1632 -82.7952 -5.27563 -82.7952 -77.0493 65.3954 -5.27572 65.3955 68.385 GPRESSAVG: 2835400 -13.5156 -82.9993 -1.47695 -81.8088 -77.4477 65.9961 -8.16849 63.7984 68.9335 TIMING: 2835400 CPU: 8453.79, 0.00297701/step Wall: 8453.79, 0.00297701/step, 1.79001 hours remaining, 207.445312 MB of memory in use. ENERGY: 2835400 735.1392 2049.6474 1954.6757 110.4201 -206613.3889 17999.8462 0.0000 0.0000 34429.1175 -149334.5427 300.6780 -183763.6602 -149237.0741 298.8334 -56.4878 -22.6910 557702.2121 -7.2758 -7.3433 PRESSURE: 2835600 162.507 -150.402 -41.8638 -150.401 -175.411 -56.2693 -41.8643 -56.2697 89.6851 GPRESSURE: 2835600 170.804 -174.434 -29.6498 -103.738 -103.58 -61.295 -94.9121 -19.8128 108.436 PRESSAVG: 2835600 35.549 -0.633913 -18.9263 -0.633856 -80.9132 -27.1367 -18.9263 -27.1368 31.6397 GPRESSAVG: 2835600 36.8479 0.547725 -21.0235 -2.22976 -80.5866 -26.5296 -17.7516 -26.5567 30.4671 TIMING: 2835600 CPU: 8454.39, 0.0029834/step Wall: 8454.39, 0.0029834/step, 1.79369 hours remaining, 207.445312 MB of memory in use. ENERGY: 2835600 708.6564 2104.0629 1941.9314 113.1605 -206086.7606 17681.6173 0.0000 0.0000 34194.4003 -149342.9319 298.6282 -183537.3322 -149251.5876 298.9264 25.5936 58.5532 557415.4151 -4.5748 -4.4239 PRESSURE: 2835800 -260.817 39.3343 67.8396 39.3342 1.45694 28.5926 67.8389 28.5926 -321.215 GPRESSURE: 2835800 -246.858 1.68385 35.6724 -49.5541 84.8341 -10.5954 67.0861 75.0644 -323.997 PRESSAVG: 2835800 44.7493 12.9618 -45.1916 12.9618 -54.6132 5.31 -45.1916 5.31006 -25.9397 GPRESSAVG: 2835800 44.1518 11.324 -44.899 15.532 -55.4254 6.10511 -46.0638 4.54681 -24.0755 TIMING: 2835800 CPU: 8454.98, 0.00295381/step Wall: 8454.98, 0.00295381/step, 1.77573 hours remaining, 207.445312 MB of memory in use. ENERGY: 2835800 711.8976 2050.2570 1943.3510 126.8554 -206000.3132 17558.3202 0.0000 0.0000 34211.9063 -149397.7256 298.7811 -183609.6319 -149302.8513 298.9976 -193.5250 -162.0070 557552.6874 -11.9345 -11.7830 PRESSURE: 2836000 -17.2108 -110.073 -16.9825 -110.073 51.0535 65.1936 -16.9832 65.1938 -76.9487 GPRESSURE: 2836000 38.7066 -96.1326 29.8717 -64.1546 105.235 158.061 -74.3704 95.0979 -87.6214 PRESSAVG: 2836000 -25.7475 -14.6572 -66.3347 -14.6572 -2.12166 65.2948 -66.3347 65.2948 13.0299 GPRESSAVG: 2836000 -25.1364 -13.4286 -64.1996 -16.1407 -1.50106 63.5657 -67.5048 67.0266 12.0719 TIMING: 2836000 CPU: 8455.58, 0.00298178/step Wall: 8455.58, 0.00298178/step, 1.79238 hours remaining, 207.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2836000 731.7084 2096.4101 1970.3472 116.4618 -206357.6893 17835.7684 0.0000 0.0000 34273.9534 -149333.0401 299.3230 -183606.9935 -149239.0406 298.6187 -14.3686 18.7732 557726.0268 -4.9464 -4.8552 PRESSURE: 2836200 -123.74 126.666 -21.0732 126.664 -112.929 169.019 -21.0729 169.02 196.048 GPRESSURE: 2836200 -58.3167 90.218 -0.0731864 92.0462 -96.4566 144.066 -70.7515 139.396 214.67 PRESSAVG: 2836200 2.40491 -17.9881 -22.9587 -17.9881 4.88391 50.3085 -22.9586 50.3085 30.0202 GPRESSAVG: 2836200 0.632032 -18.0009 -24.5133 -18.5363 5.69848 50.6553 -21.9802 48.3195 30.3027 TIMING: 2836200 CPU: 8456.17, 0.002948/step Wall: 8456.17, 0.002948/step, 1.77191 hours remaining, 207.445312 MB of memory in use. ENERGY: 2836200 779.1634 2141.5921 1951.9368 108.3549 -206326.8170 17784.6471 0.0000 0.0000 34319.5135 -149241.6092 299.7208 -183561.1227 -149144.6874 299.7340 -13.5404 19.9657 556980.0893 12.4363 12.2111 LDB: ============= START OF LOAD BALANCING ============== 8459.71 LDB: ============== END OF LOAD BALANCING =============== 8459.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8459.71 LDB: ============= START OF LOAD BALANCING ============== 8460.01 LDB: Largest compute 4773 load 0.026127 is 22.1% of average load 0.118248 LDB: Average compute 0.001739 is 1.5% of average load 0.118248 LDB: TIME 8460.01 LOAD: AVG 0.118248 MAX 0.203685 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 8460.01 LOAD: AVG 0.118248 MAX 0.203685 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.02 MB LDB: TIME 8460.01 LOAD: AVG 0.118248 MAX 0.203685 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.02 MB LDB: ============== END OF LOAD BALANCING =============== 8460.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8460.02 PRESSURE: 2836400 -248.9 -43.196 51.1973 -43.1953 201.285 -20.4281 51.1983 -20.427 -1.18194 GPRESSURE: 2836400 -202.481 5.37214 -29.6618 -78.3836 254.606 -86.8846 97.5746 22.6972 -12.604 PRESSAVG: 2836400 -9.59423 -15.1445 29.3851 -15.1445 16.3384 -18.2238 29.3851 -18.2238 44.3277 GPRESSAVG: 2836400 -9.75667 -15.7578 29.4757 -15.8111 15.2708 -18.7851 30.5275 -17.6056 45.713 TIMING: 2836400 CPU: 8456.77, 0.00301566/step Wall: 8456.77, 0.00301566/step, 1.81241 hours remaining, 207.042969 MB of memory in use. ENERGY: 2836400 736.5170 2075.1264 1952.2702 117.9989 -206308.4154 17820.7049 0.0000 0.0000 34349.4865 -149256.3115 299.9826 -183605.7980 -149155.2414 299.9952 -16.2658 13.1738 555328.1126 17.0240 17.0757 PRESSURE: 2836600 -230.546 77.6957 31.3504 77.6949 80.0241 75.3855 31.3494 75.3844 -132.429 GPRESSURE: 2836600 -212.326 128.335 104.68 70.4328 126.091 159.399 31.1011 144.113 -92.083 PRESSAVG: 2836600 -41.2693 -18.0405 -1.83829 -18.0405 38.7297 -47.4188 -1.8383 -47.4188 5.20455 GPRESSAVG: 2836600 -40.599 -17.8566 -1.73398 -14.9064 40.3165 -46.5369 -3.10068 -49.0267 2.81212 TIMING: 2836600 CPU: 8457.37, 0.00300754/step Wall: 8457.37, 0.00300754/step, 1.80737 hours remaining, 207.246094 MB of memory in use. ENERGY: 2836600 717.6495 2120.3151 1913.9253 109.8570 -205976.1604 17547.6981 0.0000 0.0000 34300.6546 -149266.0610 299.5561 -183566.7156 -149171.2831 299.7697 -94.3170 -59.4393 556479.8360 0.8883 0.8432 PRESSURE: 2836800 -295.623 -66.7041 -74.1614 -66.7042 -411.605 -37.8098 -74.1616 -37.8098 -96.1918 GPRESSURE: 2836800 -271.063 -51.6753 -102.02 -48.3016 -354.691 80.4339 -46.4471 -107.615 -78.5068 PRESSAVG: 2836800 -59.1172 20.2221 0.391849 20.2221 -2.7386 31.6657 0.391882 31.6658 50.9099 GPRESSAVG: 2836800 -58.9705 18.0875 -0.412065 19.7454 -3.03107 31.005 0.791926 34.4633 51.7158 TIMING: 2836800 CPU: 8457.97, 0.00297856/step Wall: 8457.97, 0.00297856/step, 1.78978 hours remaining, 207.246094 MB of memory in use. ENERGY: 2836800 752.8896 2107.5150 1965.1404 105.2027 -205820.9150 17462.6689 0.0000 0.0000 34243.0372 -149184.4612 299.0530 -183427.4984 -149084.4996 300.6818 -267.8067 -234.7534 557978.8341 -3.6486 -3.4286 PRESSURE: 2837000 -57.8704 -166.75 46.5771 -166.751 -520.637 21.6916 46.5765 21.6924 -285.209 GPRESSURE: 2837000 -53.2202 -101.212 60.58 -222.442 -426.285 20.6798 82.447 55.6068 -280.206 PRESSAVG: 2837000 -35.841 -43.9535 -78.396 -43.9535 14.1543 -33.0996 -78.396 -33.0997 19.8289 GPRESSAVG: 2837000 -35.9078 -43.1267 -77.2969 -45.4587 13.1098 -32.2894 -78.5474 -34.8069 21.3754 TIMING: 2837000 CPU: 8458.56, 0.00297995/step Wall: 8458.56, 0.00297995/step, 1.79045 hours remaining, 207.246094 MB of memory in use. ENERGY: 2837000 750.0934 2068.5008 1928.4830 116.7134 -205513.9339 17333.0992 0.0000 0.0000 34234.0891 -149082.9549 298.9748 -183317.0440 -148992.5805 299.6424 -287.9057 -253.2371 559233.8116 -0.6192 -0.4742 PRESSURE: 2837200 55.9802 120.802 121.835 120.803 -67.9804 -36.586 121.835 -36.5867 -90.728 GPRESSURE: 2837200 97.5448 97.2458 168.418 58.6992 -12.4009 -64.4068 59.4409 -49.8748 -90.5283 PRESSAVG: 2837200 6.88873 -21.3075 -39.7252 -21.3075 -22.5292 -3.94291 -39.7252 -3.94307 -64.0671 GPRESSAVG: 2837200 6.47638 -21.0904 -39.2323 -20.2208 -21.7178 -4.99352 -40.2581 -2.33225 -64.8699 TIMING: 2837200 CPU: 8459.17, 0.00300801/step Wall: 8459.17, 0.00300801/step, 1.80715 hours remaining, 207.246094 MB of memory in use. ENERGY: 2837200 780.3378 2066.4085 1932.6554 110.8098 -206131.7228 17827.1180 0.0000 0.0000 34226.9199 -149187.4733 298.9122 -183414.3932 -149090.6945 299.6898 -34.2427 -1.7948 556823.2048 -26.5692 -26.7038 PRESSURE: 2837400 -32.5174 -32.8477 -43.2645 -32.8468 251.792 -50.6118 -43.2638 -50.6129 113.137 GPRESSURE: 2837400 -55.5092 -3.89345 -150.359 -84.7245 275.792 -149.328 -0.168097 8.6855 207.186 PRESSAVG: 2837400 -64.3567 -5.17723 -27.3949 -5.17722 17.6135 10.865 -27.395 10.865 62.4838 GPRESSAVG: 2837400 -63.7689 -5.35484 -29.2608 -7.20189 16.9152 10.4196 -24.6983 12.3648 62.3979 TIMING: 2837400 CPU: 8459.77, 0.00301165/step Wall: 8459.77, 0.00301165/step, 1.80917 hours remaining, 207.246094 MB of memory in use. ENERGY: 2837400 728.1028 2088.0738 1924.8631 127.0712 -206448.5659 17991.8127 0.0000 0.0000 34348.6304 -149240.0119 299.9751 -183588.6424 -149142.3530 299.2547 110.8041 142.4897 556953.7816 5.2469 5.1814 PRESSURE: 2837600 -74.0614 82.0097 -90.5393 82.01 -15.9323 -92.2993 -90.5399 -92.2974 143.63 GPRESSURE: 2837600 -8.75957 -15.04 -143.626 118.533 -25.154 -85.7592 -135.25 -100.843 184.349 PRESSAVG: 2837600 -31.077 13.4704 -25.6795 13.4703 29.9073 -9.49121 -25.6795 -9.49119 62.1565 GPRESSAVG: 2837600 -30.272 14.542 -25.7327 13.8877 29.8632 -8.05536 -26.1842 -12.4065 61.4212 TIMING: 2837600 CPU: 8460.37, 0.00302019/step Wall: 8460.37, 0.00302019/step, 1.81413 hours remaining, 207.246094 MB of memory in use. ENERGY: 2837600 727.7032 2124.9870 1969.8897 124.2194 -206178.7245 17876.1071 0.0000 0.0000 34224.9529 -149130.8653 298.8950 -183355.8182 -149040.1225 299.4498 17.8788 50.1451 558052.6192 20.3289 20.3375 PRESSURE: 2837800 78.2315 -102.731 -27.5668 -102.732 35.1521 117.119 -27.5662 117.12 142.381 GPRESSURE: 2837800 114.403 -48.5107 -12.6312 -126.928 24.5885 114.673 -42.3347 103.605 214.936 PRESSAVG: 2837800 -53.0064 -15.6897 43.2145 -15.6898 12.0323 -17.5069 43.2145 -17.5068 29.6795 GPRESSAVG: 2837800 -53.3284 -15.6648 43.3353 -14.6958 11.7791 -19.4407 43.9573 -17.0803 30.1473 TIMING: 2837800 CPU: 8460.98, 0.00304165/step Wall: 8460.98, 0.00304165/step, 1.82685 hours remaining, 207.246094 MB of memory in use. ENERGY: 2837800 769.0872 2080.6737 1953.0435 114.2151 -206443.7473 18009.8527 0.0000 0.0000 34343.2934 -149173.5816 299.9285 -183516.8750 -149078.5796 300.3309 85.2550 117.9760 554714.9280 -3.7649 -3.8007 PRESSURE: 2838000 -248.83 105.027 36.8128 105.028 -50.4333 122.838 36.8126 122.837 -132.504 GPRESSURE: 2838000 -249.707 83.0601 34.8397 84.7375 27.9017 166.84 44.954 135.209 -118.856 PRESSAVG: 2838000 30.3297 -26.1415 -12.3441 -26.1415 -24.413 44.4122 -12.3441 44.4122 11.8435 GPRESSAVG: 2838000 28.847 -26.4594 -13.4987 -26.1436 -22.8089 44.3338 -13.4548 46.5938 11.4562 TIMING: 2838000 CPU: 8461.59, 0.00305452/step Wall: 8461.59, 0.00305452/step, 1.83441 hours remaining, 207.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2838000 746.7571 2052.3721 1940.8413 118.3066 -206309.4082 17802.2310 0.0000 0.0000 34502.8167 -149146.0832 301.3217 -183648.9000 -149051.4325 300.3414 -143.9224 -113.5536 558072.3235 5.9201 5.8314 PRESSURE: 2838200 -230.525 -6.8027 142.192 -6.80298 -48.1469 -148.892 142.191 -148.892 -233.286 GPRESSURE: 2838200 -233.644 1.71297 170.503 -11.2917 -27.1245 -59.1762 31.2277 -150.86 -156.565 PRESSAVG: 2838200 -9.58965 -10.355 10.9071 -10.355 -43.78 -17.6251 10.9071 -17.6253 52.1569 GPRESSAVG: 2838200 -8.65355 -11.959 13.5471 -8.48251 -45.5498 -17.8432 7.88817 -18.3431 52.7935 TIMING: 2838200 CPU: 8462.2, 0.00305195/step Wall: 8462.2, 0.00305195/step, 1.8327 hours remaining, 207.246094 MB of memory in use. ENERGY: 2838200 730.0231 2117.6200 1971.2136 125.0998 -206042.9242 17645.8147 0.0000 0.0000 34218.4753 -149234.6778 298.8385 -183453.1531 -149140.2851 299.4528 -170.6527 -139.1110 556909.2765 -0.4042 -0.4700 PRESSURE: 2838400 125.89 -82.6677 -49.8529 -82.6684 -289.395 -57.5298 -49.8542 -57.5308 -176.997 GPRESSURE: 2838400 132.76 -1.75287 -100.817 -159.822 -218.285 -1.19907 -63.894 -139.682 -147.654 PRESSAVG: 2838400 25.7914 -37.9679 25.1502 -37.968 -3.44649 3.80154 25.1501 3.80149 -43.0498 GPRESSAVG: 2838400 24.9216 -36.0609 23.4126 -39.8665 -3.56477 5.08985 25.9972 3.10889 -42.3771 TIMING: 2838400 CPU: 8462.8, 0.00298243/step Wall: 8462.8, 0.00298243/step, 1.79078 hours remaining, 207.246094 MB of memory in use. ENERGY: 2838400 705.8885 2072.3495 1933.1106 117.4415 -206094.8738 17707.7713 0.0000 0.0000 34121.1581 -149437.1544 297.9886 -183558.3125 -149345.3256 299.0677 -113.5006 -77.7265 558001.2686 -6.9016 -7.0068 PRESSURE: 2838600 -209.066 9.3486 -201.196 9.34876 -158.22 290.463 -201.196 290.462 -13.05 GPRESSURE: 2838600 -202.312 -25.9258 -242.481 5.59342 -136.737 238.266 -164.067 353.182 56.4299 PRESSAVG: 2838600 -42.35 -7.41839 -30.3705 -7.41844 -29.1931 -15.6018 -30.3705 -15.6017 58.4811 GPRESSAVG: 2838600 -41.4434 -7.6418 -30.4479 -6.8695 -28.2452 -16.8217 -29.7302 -14.5366 56.7499 TIMING: 2838600 CPU: 8463.39, 0.00297366/step Wall: 8463.39, 0.00297366/step, 1.78535 hours remaining, 207.246094 MB of memory in use. ENERGY: 2838600 738.5807 2036.2858 1922.7873 118.2313 -205887.6832 17641.9417 0.0000 0.0000 34149.1008 -149280.7557 298.2326 -183429.8565 -149175.5236 298.4024 -126.7786 -94.2062 557917.3829 -4.3540 -4.3129 PRESSURE: 2838800 40.9775 -6.05499 123.769 -6.05571 -128.647 217.393 123.769 217.392 -162.691 GPRESSURE: 2838800 102.773 -50.1879 75.1036 19.5991 -89.4651 176.838 96.9911 149.268 -155.618 PRESSAVG: 2838800 -12.7434 -37.0422 -23.9216 -37.0423 -1.11715 56.7456 -23.9215 56.7456 49.6126 GPRESSAVG: 2838800 -13.2704 -38.2297 -21.0016 -37.4463 -1.33149 57.2069 -24.8946 56.1625 50.3544 TIMING: 2838800 CPU: 8463.98, 0.00296096/step Wall: 8463.98, 0.00296096/step, 1.77756 hours remaining, 207.246094 MB of memory in use. ENERGY: 2838800 750.4095 2088.5774 1946.0279 99.2301 -206171.1394 17753.4278 0.0000 0.0000 34245.6461 -149287.8207 299.0757 -183533.4667 -149195.4267 299.3857 -83.4538 -47.4369 557843.9370 11.9173 11.9175 PRESSURE: 2839000 121.194 -46.8928 -37.7835 -46.8933 189.941 -89.6699 -37.7844 -89.6686 -140.158 GPRESSURE: 2839000 170.096 -40.0662 62.0185 -80.0687 226.651 -124.371 -61.5977 -63.467 -129.694 PRESSAVG: 2839000 81.0171 -16.7564 65.5973 -16.7565 -80.2381 20.9316 65.5974 20.9315 -39.6339 GPRESSAVG: 2839000 80.3476 -15.166 64.1265 -17.5813 -81.1406 20.5445 66.5795 21.1133 -38.3558 TIMING: 2839000 CPU: 8464.58, 0.00298182/step Wall: 8464.58, 0.00298182/step, 1.78992 hours remaining, 207.246094 MB of memory in use. ENERGY: 2839000 751.3079 2105.1845 1918.1019 109.4382 -206858.2178 18111.3974 0.0000 0.0000 34500.5501 -149362.2378 301.3019 -183862.7879 -149262.7007 299.3626 56.9924 89.0178 558345.9322 -12.9516 -13.0496 PRESSURE: 2839200 94.2108 26.4043 -26.9598 26.4032 -23.7756 -48.2058 -26.9596 -48.205 -107.517 GPRESSURE: 2839200 112.241 35.4464 -46.8344 27.6691 8.25629 11.4663 12.2466 -49.17 -63.225 PRESSAVG: 2839200 37.0392 -8.49581 23.7106 -8.49572 -42.3136 -16.7572 23.7107 -16.7572 -8.12212 GPRESSAVG: 2839200 37.3897 -9.85051 25.1389 -7.1235 -41.8122 -17.081 22.9275 -16.9048 -9.50475 TIMING: 2839200 CPU: 8465.18, 0.00297276/step Wall: 8465.18, 0.00297276/step, 1.78432 hours remaining, 207.246094 MB of memory in use. ENERGY: 2839200 748.1924 2103.7058 1922.7342 121.7709 -206289.7656 17795.7617 0.0000 0.0000 34097.8856 -149499.7149 297.7853 -183597.6006 -149398.9513 298.0589 -12.3607 19.0908 557352.3330 -4.4655 -4.6424 PRESSURE: 2839400 71.6911 -63.6982 -8.12307 -63.6985 -20.884 14.0294 -8.12197 14.0305 -163.221 GPRESSURE: 2839400 144.674 -14.6778 -3.68232 -77.3895 -34.0683 -79.1966 95.1001 85.0923 -128.043 PRESSAVG: 2839400 67.5865 -22.5771 12.568 -22.5772 -43.1595 18.1502 12.568 18.1503 -71.4602 GPRESSAVG: 2839400 69.0075 -21.634 10.5348 -21.5893 -42.8616 18.2186 14.7427 17.4485 -73.3527 TIMING: 2839400 CPU: 8465.77, 0.00296194/step Wall: 8465.77, 0.00296195/step, 1.77766 hours remaining, 207.246094 MB of memory in use. ENERGY: 2839400 711.4761 2056.3435 1949.0580 111.9841 -206257.9663 17683.8449 0.0000 0.0000 34214.1496 -149531.1101 298.8007 -183745.2597 -149434.9635 298.7638 -37.4712 -5.8127 556429.7111 -15.6777 -15.7356 PRESSURE: 2839600 -95.0907 -74.1517 -5.64028 -74.1516 -142.646 83.6161 -5.63939 83.6159 25.6837 GPRESSURE: 2839600 -127.45 -49.2667 -30.4182 -86.9003 -95.4748 102.754 18.2319 69.7442 93.4357 PRESSAVG: 2839600 31.1908 -61.4801 19.8243 -61.4801 -50.686 20.1816 19.8242 20.1816 -22.4107 GPRESSAVG: 2839600 29.2245 -59.78 18.7359 -63.8132 -50.6497 19.589 18.9418 20.683 -20.262 TIMING: 2839600 CPU: 8466.36, 0.00296961/step Wall: 8466.36, 0.00296961/step, 1.7821 hours remaining, 207.246094 MB of memory in use. ENERGY: 2839600 681.3798 2074.8950 1924.4132 108.7183 -205754.8636 17421.1158 0.0000 0.0000 33948.8383 -149595.5031 296.4836 -183544.3415 -149496.7318 297.8111 -70.6843 -43.1630 556569.0760 -13.9686 -13.8958 PRESSURE: 2839800 -167.155 -139.314 -127.714 -139.315 -132.207 15.1032 -127.714 15.1025 -200.951 GPRESSURE: 2839800 -70.9127 -117.822 -125.126 -121.699 -138.849 54.8715 -39.2555 13.1692 -200.871 PRESSAVG: 2839800 79.1183 8.81356 70.5861 8.81364 6.55797 -3.00017 70.5861 -3.00016 -15.1602 GPRESSAVG: 2839800 79.9281 7.84361 72.132 11.8842 4.13262 -3.20555 69.5154 -2.30785 -13.6031 TIMING: 2839800 CPU: 8466.96, 0.00296756/step Wall: 8466.96, 0.00296756/step, 1.7807 hours remaining, 207.246094 MB of memory in use. ENERGY: 2839800 734.6420 2073.6483 1953.3978 119.7077 -206327.8489 17577.1283 0.0000 0.0000 34179.7303 -149689.5945 298.5001 -183869.3248 -149592.1527 297.8084 -166.7707 -136.8776 556553.2323 23.5054 23.4859 PRESSURE: 2840000 -310.411 92.2188 6.80828 92.2187 74.3094 -78.0708 6.80816 -78.0727 -268.293 GPRESSURE: 2840000 -261.222 30.5056 34.1772 79.7975 165.545 -40.6021 9.51049 -48.8453 -314.442 PRESSAVG: 2840000 -19.7606 -19.233 -46.4451 -19.2331 -4.23936 17.6705 -46.4451 17.6705 16.4976 GPRESSAVG: 2840000 -19.3967 -19.4516 -48.1655 -20.1425 -2.41715 18.6297 -45.7896 16.8801 14.8017 TIMING: 2840000 CPU: 8467.55, 0.00296112/step Wall: 8467.55, 0.00296112/step, 1.77667 hours remaining, 207.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2840000 742.2657 2081.1818 1922.4164 111.6947 -205977.0257 17571.5569 0.0000 0.0000 34049.6143 -149498.2959 297.3638 -183547.9103 -149411.2688 297.7313 -168.1314 -136.7061 557103.9202 -2.5008 -2.3374 PRESSURE: 2840200 -84.2597 -143.15 -220.231 -143.15 -170.218 60.8433 -220.233 60.8428 65.5419 GPRESSURE: 2840200 -60.7348 -115.478 -269.375 -176.405 -173.784 78.5968 -256.355 72.381 140.195 PRESSAVG: 2840200 -21.6362 3.86462 32.5685 3.86468 88.5584 7.49938 32.5685 7.49946 -48.902 GPRESSAVG: 2840200 -22.3828 4.71084 34.4633 2.24559 89.5641 7.06099 32.5764 8.85366 -48.529 TIMING: 2840200 CPU: 8468.14, 0.00294869/step Wall: 8468.14, 0.00294869/step, 1.76905 hours remaining, 207.246094 MB of memory in use. ENERGY: 2840200 733.5479 2044.6910 1957.1634 102.2468 -205743.5565 17415.5961 0.0000 0.0000 34015.7425 -149474.5688 297.0679 -183490.3113 -149382.3437 297.9976 -62.9788 -31.4413 555239.7846 6.0067 6.2174 LDB: ============= START OF LOAD BALANCING ============== 8471.68 LDB: ============== END OF LOAD BALANCING =============== 8471.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8471.68 LDB: ============= START OF LOAD BALANCING ============== 8471.98 LDB: Largest compute 4773 load 0.027938 is 23.6% of average load 0.118163 LDB: Average compute 0.001737 is 1.5% of average load 0.118163 LDB: TIME 8471.98 LOAD: AVG 0.118163 MAX 0.200108 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.074 MB LDB: TIME 8471.98 LOAD: AVG 0.118163 MAX 0.200108 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.137 MB LDB: TIME 8471.98 LOAD: AVG 0.118163 MAX 0.200108 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.137 MB LDB: ============== END OF LOAD BALANCING =============== 8471.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8471.98 PRESSURE: 2840400 -63.3504 -76.0715 153.517 -76.0717 -41.8072 89.7221 153.516 89.7212 120.371 GPRESSURE: 2840400 -4.88653 -75.3295 46.5749 60.4368 -6.17758 -1.02469 228.131 113.731 126.997 PRESSAVG: 2840400 1.82925 -36.5951 3.97117 -36.5951 38.2471 10.4732 3.97109 10.4732 15.648 GPRESSAVG: 2840400 0.605857 -38.8605 2.15287 -33.8777 39.2953 10.4769 5.41992 9.20707 15.5731 TIMING: 2840400 CPU: 8468.73, 0.00298452/step Wall: 8468.73, 0.00298452/step, 1.79038 hours remaining, 207.179688 MB of memory in use. ENERGY: 2840400 747.0979 2073.2013 1917.2617 122.9028 -206258.4691 17831.6524 0.0000 0.0000 34087.0399 -149479.3132 297.6906 -183566.3530 -149380.7937 298.4050 5.0711 38.6441 555927.9051 18.5748 18.4914 PRESSURE: 2840600 68.4393 66.0726 26.2483 66.0735 -48.7238 -30.8423 26.2486 -30.8432 -14.7858 GPRESSURE: 2840600 122.25 131.546 16.6392 65.0182 -11.23 -75.037 9.30343 -90.0426 8.80138 PRESSAVG: 2840600 -37.5155 -13.5441 7.72892 -13.5441 16.0024 -35.7849 7.72893 -35.7848 15.5588 GPRESSAVG: 2840600 -37.2476 -13.8682 9.55708 -15.33 16.3578 -36.179 7.08732 -33.8461 14.5549 TIMING: 2840600 CPU: 8469.32, 0.00294124/step Wall: 8469.32, 0.00294124/step, 1.76425 hours remaining, 207.179688 MB of memory in use. ENERGY: 2840600 727.2003 2069.9621 1945.2134 104.8172 -206463.7370 17831.6965 0.0000 0.0000 34266.3852 -149518.4624 299.2569 -183784.8475 -149427.0211 298.4120 1.6432 39.9404 556756.9928 -1.9848 -2.1116 PRESSURE: 2840800 103.218 169.856 -38.4126 169.855 -104.173 -62.4709 -38.4135 -62.4694 52.0367 GPRESSURE: 2840800 140.938 161.602 -111.107 223.839 -65.0438 -116.564 -50.6937 -30.4428 69.7133 PRESSAVG: 2840800 -21.3266 41.188 -16.0238 41.1878 5.8683 4.03859 -16.0237 4.03871 12.639 GPRESSAVG: 2840800 -20.8845 42.2632 -16.7557 42.6327 4.66999 4.09755 -13.7681 2.4739 13.3135 TIMING: 2840800 CPU: 8469.91, 0.0029571/step Wall: 8469.91, 0.0029571/step, 1.7736 hours remaining, 207.179688 MB of memory in use. ENERGY: 2840800 762.5039 2097.7044 1950.5537 101.9322 -206094.4279 17575.6991 0.0000 0.0000 34189.9399 -149416.0947 298.5892 -183606.0345 -149328.3194 298.4448 17.0272 48.5359 556752.2051 -0.9398 -0.9670 PRESSURE: 2841000 -445.675 -73.0735 -181.247 -73.0751 -154.198 -29.0704 -181.247 -29.0698 -427.425 GPRESSURE: 2841000 -420.308 -29.8922 -225.607 -92.8376 -105.271 -20.7463 -239.842 -112.073 -401.683 PRESSAVG: 2841000 8.68874 -2.12162 -39.1679 -2.12162 -63.6457 9.30624 -39.1678 9.3062 -5.39966 GPRESSAVG: 2841000 8.76425 -0.221431 -37.6529 -4.1079 -63.2289 8.97884 -40.6817 8.26163 -5.9031 TIMING: 2841000 CPU: 8470.5, 0.0029431/step Wall: 8470.5, 0.0029431/step, 1.76504 hours remaining, 207.238281 MB of memory in use. ENERGY: 2841000 726.2019 2072.6428 1904.5138 106.2448 -205629.4489 17253.5508 0.0000 0.0000 34080.3860 -149485.9087 297.6325 -183566.2947 -149386.1055 298.6691 -342.4328 -309.0874 560231.9919 -20.1189 -20.1226 PRESSURE: 2841200 -106.152 187.816 66.3628 187.816 47.4069 70.1131 66.3635 70.1122 -94.2026 GPRESSURE: 2841200 -112.318 254.644 141.376 94.6457 122.607 117.621 44.2265 97.7815 -70.7734 PRESSAVG: 2841200 -17.8433 69.5455 14.9837 69.5454 5.57961 3.57141 14.9838 3.57149 -28.751 GPRESSAVG: 2841200 -18.2366 69.7981 14.9691 69.5278 5.34665 3.38856 12.2106 4.29656 -28.269 TIMING: 2841200 CPU: 8471.09, 0.00294015/step Wall: 8471.09, 0.00294015/step, 1.76311 hours remaining, 207.238281 MB of memory in use. ENERGY: 2841200 768.4337 2113.4926 1944.5267 116.3214 -206642.5250 17966.1519 0.0000 0.0000 34443.9015 -149289.6972 300.8072 -183733.5987 -149192.7661 299.1764 -50.9825 -20.1615 557544.5662 -13.6715 -13.7197 PRESSURE: 2841400 -292.43 -221.601 -12.5957 -221.603 15.1269 74.0186 -12.5941 74.0199 -241.213 GPRESSURE: 2841400 -260.148 -245.969 -5.5728 -169.94 -16.4503 69.8595 -52.2791 107.679 -142.1 PRESSAVG: 2841400 -55.8496 -19.7 24.9974 -19.7001 32.5459 59.6315 24.9975 59.6315 46.3497 GPRESSAVG: 2841400 -55.0856 -23.5976 23.4821 -18.2281 31.0507 58.9078 25.2219 61.3312 47.1208 TIMING: 2841400 CPU: 8471.69, 0.00298192/step Wall: 8471.69, 0.00298192/step, 1.78799 hours remaining, 207.238281 MB of memory in use. ENERGY: 2841400 717.4936 2030.7674 1950.3941 116.7622 -206102.1829 17572.3356 0.0000 0.0000 34302.9877 -149411.4423 299.5765 -183714.4300 -149316.5277 298.9900 -172.8387 -139.5662 559158.3994 7.6820 7.6953 PRESSURE: 2841600 15.0857 179.482 -55.4536 179.483 51.9063 131.401 -55.4533 131.4 121.897 GPRESSURE: 2841600 64.9985 194.836 -129.688 196.925 41.7278 196.736 -60.9173 157.225 177.733 PRESSAVG: 2841600 -69.3453 -26.1052 -33.6039 -26.1052 32.1842 32.0805 -33.6039 32.0806 21.6262 GPRESSAVG: 2841600 -68.8931 -24.6958 -32.5363 -26.0817 31.4267 34.6019 -33.2186 30.5123 22.086 TIMING: 2841600 CPU: 8472.28, 0.00294869/step Wall: 8472.28, 0.00294869/step, 1.7679 hours remaining, 207.238281 MB of memory in use. ENERGY: 2841600 777.6350 2118.0604 1928.6962 106.4036 -206491.5356 17993.2514 0.0000 0.0000 34112.0408 -149455.4481 297.9089 -183567.4889 -149366.6709 299.0036 62.9631 94.8198 558481.5533 -5.1783 -5.1268 PRESSURE: 2841800 136.062 85.7824 273.899 85.7836 79.2214 32.8905 273.899 32.8898 98.0461 GPRESSURE: 2841800 170.501 -23.7946 241.78 119.803 114.737 80.9763 182.932 36.9746 135.996 PRESSAVG: 2841800 -23.5193 5.58997 -22.6367 5.59003 43.7938 64.2704 -22.6367 64.2704 -1.2002 GPRESSAVG: 2841800 -23.8234 5.21021 -22.8358 6.4489 44.8545 63.7774 -21.9063 64.4786 -2.07639 TIMING: 2841800 CPU: 8472.87, 0.00295237/step Wall: 8472.87, 0.00295237/step, 1.76995 hours remaining, 207.238281 MB of memory in use. ENERGY: 2841800 744.3940 2067.3082 1914.9783 122.2731 -206482.1397 18078.4756 0.0000 0.0000 34370.6725 -149184.0379 300.1676 -183554.7104 -149090.1498 299.3082 104.4431 140.4111 557984.2918 6.3581 6.3182 PRESSURE: 2842000 -366.48 50.8867 31.6407 50.8859 85.5638 136.638 31.6399 136.64 -100.623 GPRESSURE: 2842000 -263.638 -2.22104 106.593 54.8972 131.524 86.4662 56.9515 188.134 -146.452 PRESSAVG: 2842000 -30.2398 45.2171 -22.7636 45.2171 24.4148 27.197 -22.7637 27.1971 -17.6272 GPRESSAVG: 2842000 -30.8853 45.6466 -21.7425 41.8995 25.2449 25.7799 -22.6555 26.4786 -17.9309 TIMING: 2842000 CPU: 8473.46, 0.00297192/step Wall: 8473.46, 0.00297192/step, 1.7815 hours remaining, 207.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2842000 753.5009 2055.1769 1923.2376 110.2164 -206291.3015 17846.0026 0.0000 0.0000 34229.5009 -149373.6661 298.9347 -183603.1670 -149268.9342 299.2296 -127.1796 -92.8552 558780.5259 -7.8174 -7.8571 PRESSURE: 2842200 -268.048 44.4842 -30.4477 44.484 -133.171 -4.9719 -30.4471 -4.97257 -254.63 GPRESSURE: 2842200 -241.258 157.174 54.5622 -80.4833 -80.2424 14.4172 -63.5735 -0.44965 -231.939 PRESSAVG: 2842200 -4.90589 -13.3215 7.10199 -13.3215 -8.45257 65.2676 7.10204 65.2675 21.214 GPRESSAVG: 2842200 -3.46547 -10.4278 5.25047 -12.4503 -10.6458 64.2562 7.87548 67.4106 21.9726 TIMING: 2842200 CPU: 8474.07, 0.00303187/step Wall: 8474.07, 0.00303187/step, 1.81727 hours remaining, 207.238281 MB of memory in use. ENERGY: 2842200 764.7181 2043.0391 1910.8568 115.6881 -206296.0241 17667.0997 0.0000 0.0000 34241.4228 -149553.1995 299.0389 -183794.6223 -149459.7206 298.7118 -218.6164 -184.4800 558584.8221 2.6185 2.6204 PRESSURE: 2842400 -22.0837 -26.3453 -211.284 -26.3444 -20.8695 107.643 -211.284 107.643 85.3141 GPRESSURE: 2842400 67.5754 55.0585 -239.107 -31.0868 -32.6825 152.639 -216.425 96.2862 110.142 PRESSAVG: 2842400 40.4546 5.63815 -71.8973 5.63812 -57.0537 70.4349 -71.8972 70.4349 38.3029 GPRESSAVG: 2842400 39.8304 2.03588 -71.5567 7.57982 -55.8819 72.9555 -73.2638 67.2256 37.0361 TIMING: 2842400 CPU: 8474.67, 0.00298604/step Wall: 8474.67, 0.00298604/step, 1.78963 hours remaining, 207.238281 MB of memory in use. ENERGY: 2842400 734.8499 2106.3477 1917.4235 109.5851 -206469.2253 17803.1753 0.0000 0.0000 34110.3900 -149687.4539 297.8945 -183797.8439 -149594.9075 298.2234 14.1203 48.3451 557199.9813 7.2346 6.9949 PRESSURE: 2842600 -28.5457 -184.897 87.0292 -184.897 68.3332 -13.0608 87.0305 -13.0614 -169.034 GPRESSURE: 2842600 33.2501 -138.653 113.793 -212.343 55.6527 -95.562 -3.11607 38.9495 -121.712 PRESSAVG: 2842600 10.3335 4.90398 13.2194 4.90395 -42.7881 14.6398 13.2193 14.6398 45.8139 GPRESSAVG: 2842600 11.2314 5.48365 13.8654 3.8687 -43.535 13.4805 15.603 14.9116 45.3731 TIMING: 2842600 CPU: 8475.26, 0.00298272/step Wall: 8475.26, 0.00298271/step, 1.78747 hours remaining, 207.238281 MB of memory in use. ENERGY: 2842600 723.2217 2014.0949 1942.1454 116.9968 -206369.3206 17703.6087 0.0000 0.0000 34301.7427 -149567.5104 299.5657 -183869.2531 -149467.5771 298.7386 -43.0823 -10.9365 558071.5354 4.4531 4.3565 PRESSURE: 2842800 72.5424 -41.1168 112.596 -41.1172 -153.149 -50.7624 112.595 -50.7607 -107.059 GPRESSURE: 2842800 91.0101 10.5035 167.685 -136.938 -91.2182 -80.4169 154.401 -56.8574 -91.7696 PRESSAVG: 2842800 29.1085 -29.2141 16.9214 -29.2141 -85.3541 6.68557 16.9215 6.68563 45.0229 GPRESSAVG: 2842800 29.475 -29.3481 15.6964 -29.3432 -85.0139 6.55983 15.9406 6.94926 44.5083 TIMING: 2842800 CPU: 8475.86, 0.00297259/step Wall: 8475.86, 0.00297259/step, 1.78124 hours remaining, 207.238281 MB of memory in use. ENERGY: 2842800 719.2399 2111.8454 1932.0695 120.1731 -206714.3122 17851.5368 0.0000 0.0000 34389.5984 -149589.8490 300.3329 -183979.4474 -149496.0978 298.3994 -62.5552 -30.6592 557090.0587 -3.7409 -3.6769 PRESSURE: 2843000 -8.08226 -157.11 218.692 -157.108 -18.0972 54.9775 218.692 54.977 -106.345 GPRESSURE: 2843000 -1.10993 -195.808 261.707 -232.272 -16.9647 -39.5043 103.244 113.313 -5.06952 PRESSAVG: 2843000 28.9759 3.20025 18.8461 3.20026 -1.45658 -12.2176 18.8462 -12.2177 -61.3789 GPRESSAVG: 2843000 26.7056 4.11425 21.3659 2.02786 -1.30411 -13.6345 18.1433 -11.3063 -59.6269 TIMING: 2843000 CPU: 8476.45, 0.00295521/step Wall: 8476.45, 0.00295521/step, 1.77066 hours remaining, 207.238281 MB of memory in use. ENERGY: 2843000 772.4388 2101.0820 1924.0517 118.0108 -206411.0922 17775.1312 0.0000 0.0000 34145.7442 -149574.6335 298.2033 -183720.3777 -149484.8563 298.3356 -44.1747 -7.7147 557872.8507 -11.2865 -11.4085 PRESSURE: 2843200 83.6582 13.5289 25.2052 13.5291 151.553 10.3781 25.2063 10.3784 -41.1788 GPRESSURE: 2843200 74.1655 -37.3269 -8.5479 12.9211 215.375 48.7815 24.1624 39.152 0.0967332 PRESSAVG: 2843200 -29.3974 -35.1871 60.1979 -35.187 -6.03592 27.7338 60.198 27.7338 3.10481 GPRESSAVG: 2843200 -28.9538 -34.5259 59.7185 -34.1942 -7.20885 30.2669 61.1414 27.4035 3.61776 TIMING: 2843200 CPU: 8477.04, 0.00297562/step Wall: 8477.04, 0.00297562/step, 1.78273 hours remaining, 207.238281 MB of memory in use. ENERGY: 2843200 765.5256 2116.6080 1943.0781 106.5620 -206826.6605 18173.8972 0.0000 0.0000 34456.7782 -149264.2115 300.9196 -183720.9896 -149168.1885 298.4170 64.6775 96.5457 558128.2886 -10.7762 -10.8483 PRESSURE: 2843400 -21.6687 -22.9704 -92.3541 -22.9709 -120.575 170.305 -92.3556 170.307 96.0082 GPRESSURE: 2843400 0.744371 -22.3491 -132.669 11.088 -73.9921 169.253 -106.052 105.159 126.562 PRESSAVG: 2843400 29.2191 21.3221 -0.796172 21.322 -56.9024 10.8697 -0.796198 10.8697 14.7588 GPRESSAVG: 2843400 30.4366 22.9523 0.383806 19.5566 -57.3601 8.64242 -0.32751 10.2247 13.5927 TIMING: 2843400 CPU: 8477.63, 0.00295787/step Wall: 8477.63, 0.00295787/step, 1.77193 hours remaining, 207.238281 MB of memory in use. ENERGY: 2843400 764.1938 2123.7947 1926.3142 104.4609 -206455.3739 17924.0578 0.0000 0.0000 34298.4237 -149314.1289 299.5367 -183612.5525 -149220.6174 299.1544 -15.4119 17.7714 557833.3676 -4.3082 -4.4436 PRESSURE: 2843600 -32.6899 -26.1163 18.8779 -26.1157 167.739 3.78412 18.8769 3.78461 -125.5 GPRESSURE: 2843600 -25.4933 -84.9624 47.4184 79.0657 196.234 71.1234 59.0374 -47.2909 -65.5306 PRESSAVG: 2843600 50.261 -40.3788 -70.0431 -40.3788 -15.6015 28.8393 -70.0432 28.8394 -81.7858 GPRESSAVG: 2843600 49.9309 -41.3713 -69.4263 -38.6634 -14.4154 30.9438 -71.8929 30.1927 -82.3182 TIMING: 2843600 CPU: 8478.22, 0.00293321/step Wall: 8478.22, 0.00293321/step, 1.75699 hours remaining, 207.238281 MB of memory in use. ENERGY: 2843600 745.8687 2116.1700 1952.0168 124.4118 -206335.3924 17896.0050 0.0000 0.0000 34176.2701 -149324.6501 298.4699 -183500.9202 -149229.6572 299.4896 3.1830 35.0701 558328.7291 -15.7088 -15.6009 PRESSURE: 2843800 -175.932 -24.3605 -150.951 -24.3599 -318.592 59.1614 -150.952 59.1593 -90.3706 GPRESSURE: 2843800 -129.669 -54.5864 -214.731 46.5688 -290.442 11.1389 -140.22 -17.3413 -68.051 PRESSAVG: 2843800 11.3352 -19.9475 -32.4349 -19.9475 3.72845 -1.02878 -32.4349 -1.02884 -23.751 GPRESSAVG: 2843800 10.962 -20.4814 -34.0707 -18.7073 2.28679 -2.74319 -30.8264 -1.58054 -22.989 TIMING: 2843800 CPU: 8478.81, 0.00295327/step Wall: 8478.81, 0.00295327/step, 1.76885 hours remaining, 207.371094 MB of memory in use. ENERGY: 2843800 731.4960 2107.9919 1920.1823 114.8124 -205974.2432 17443.0120 0.0000 0.0000 34328.3201 -149328.4286 299.7978 -183656.7486 -149220.4309 298.7757 -194.9650 -162.7207 557715.4631 -2.8958 -3.2467 PRESSURE: 2844000 -335.189 -62.9276 -105.726 -62.9284 7.06064 108.079 -105.725 108.077 -33.5037 GPRESSURE: 2844000 -321.848 -53.9236 -35.0193 -93.8074 27.6623 94.0197 -113.449 167.165 42.046 PRESSAVG: 2844000 10.936 -13.7048 -19.8205 -13.7048 11.7355 -7.66623 -19.8205 -7.66628 -13.1261 GPRESSAVG: 2844000 10.9645 -14.4624 -19.1048 -15.6095 12.2834 -7.07471 -20.0361 -8.97158 -13.1331 TIMING: 2844000 CPU: 8479.4, 0.00296399/step Wall: 8479.4, 0.00296399/step, 1.7751 hours remaining, 207.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2844000 749.5412 2137.8346 1939.5546 108.1157 -206391.9271 17844.5938 0.0000 0.0000 34268.5598 -149343.7275 299.2759 -183612.2872 -149240.2921 299.0199 -120.5440 -84.0466 557141.2663 3.1818 3.3716 PRESSURE: 2844200 168.205 -121.052 -148.405 -121.051 9.021 38.4573 -148.405 38.4583 93.3147 GPRESSURE: 2844200 208.901 -151.027 -208.177 -160.497 43.3953 28.896 -101.965 81.0852 110.001 PRESSAVG: 2844200 -33.7349 -39.471 -9.59852 -39.471 54.6808 26.3831 -9.59845 26.383 -23.6533 GPRESSAVG: 2844200 -33.8276 -34.7201 -8.84285 -40.3586 53.7624 26.7708 -9.94657 27.5353 -23.0164 TIMING: 2844200 CPU: 8479.99, 0.00295359/step Wall: 8479.99, 0.00295359/step, 1.76871 hours remaining, 207.371094 MB of memory in use. ENERGY: 2844200 709.8649 2036.0592 1941.4104 103.9017 -206683.6504 17947.7002 0.0000 0.0000 34227.3113 -149717.4028 298.9156 -183944.7141 -149622.7074 299.0462 90.1803 120.7657 553777.2525 -0.9025 -1.0272 LDB: ============= START OF LOAD BALANCING ============== 8483.54 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8483.54 LDB: =============== DONE WITH MIGRATION ================ 8483.54 LDB: ============= START OF LOAD BALANCING ============== 8483.84 LDB: Largest compute 4773 load 0.027165 is 23.0% of average load 0.118244 LDB: Average compute 0.001740 is 1.5% of average load 0.118244 LDB: TIME 8483.84 LOAD: AVG 0.118244 MAX 0.202006 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 8483.84 LOAD: AVG 0.118244 MAX 0.202006 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.086 MB LDB: TIME 8483.84 LOAD: AVG 0.118244 MAX 0.202006 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.086 MB LDB: ============== END OF LOAD BALANCING =============== 8483.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8483.85 PRESSURE: 2844400 31.8789 -123.398 134.183 -123.399 -78.6599 -108.493 134.183 -108.493 -198.336 GPRESSURE: 2844400 99.0384 -109.741 96.8597 -66.5745 -88.8986 -137.218 107.402 -108.93 -151.045 PRESSAVG: 2844400 11.0638 -36.8412 -17.4693 -36.8412 -3.4366 -29.2488 -17.4692 -29.2487 9.68091 GPRESSAVG: 2844400 10.6524 -39.4868 -17.8338 -34.7225 -1.88914 -29.4294 -18.593 -29.7542 8.74455 TIMING: 2844400 CPU: 8480.6, 0.00300354/step Wall: 8480.6, 0.00300354/step, 1.79846 hours remaining, 206.734375 MB of memory in use. ENERGY: 2844400 802.8416 2080.8696 1934.3914 101.0477 -206657.5166 17846.6927 0.0000 0.0000 34244.6314 -149647.0423 299.0669 -183891.6736 -149550.6826 297.8334 -81.7056 -46.9683 555394.9490 5.7694 5.8359 PRESSURE: 2844600 45.4497 -243.603 48.3516 -243.602 -58.7783 7.30247 48.3514 7.30274 188.109 GPRESSURE: 2844600 78.2721 -134.424 58.493 -196.577 -55.6093 -27.5405 65.7948 -71.7441 258.543 PRESSAVG: 2844600 38.0876 -125.169 -6.58043 -125.169 14.2134 -0.472172 -6.58043 -0.472186 -60.5696 GPRESSAVG: 2844600 38.1076 -124.047 -6.302 -124.765 12.6943 -0.344372 -4.97995 -0.467985 -59.093 TIMING: 2844600 CPU: 8481.19, 0.00295882/step Wall: 8481.19, 0.00295882/step, 1.77151 hours remaining, 206.734375 MB of memory in use. ENERGY: 2844600 752.8598 2106.4602 1923.7499 114.3674 -206346.7810 17838.5608 0.0000 0.0000 33936.8284 -149673.9545 296.3788 -183610.7829 -149579.5342 298.4604 58.2600 93.7354 555904.6788 -2.7562 -2.7637 PRESSURE: 2844800 173.062 -64.2872 167.779 -64.2861 -255.915 -3.29127 167.78 -3.29052 -162.123 GPRESSURE: 2844800 232.802 -122.814 109.44 46.4345 -242.386 -12.3401 161.598 51.2033 -138.442 PRESSAVG: 2844800 3.52331 -28.5577 49.4993 -28.5577 -0.686439 -28.185 49.4994 -28.185 -13.7646 GPRESSAVG: 2844800 2.78878 -31.6139 48.9844 -27.9782 0.114761 -27.9 49.9086 -28.4914 -13.9738 TIMING: 2844800 CPU: 8481.78, 0.00298101/step Wall: 8481.78, 0.00298101/step, 1.78463 hours remaining, 206.734375 MB of memory in use. ENERGY: 2844800 715.2325 2105.2405 1915.4992 101.4743 -206455.4603 17813.7005 0.0000 0.0000 34201.7282 -149602.5850 298.6922 -183804.3133 -149512.2359 299.2017 -81.6589 -49.3417 557958.8751 -3.6426 -3.6901 PRESSURE: 2845000 -62.2441 -133.958 -23.7949 -133.957 68.8993 -144.698 -23.7957 -144.699 64.9021 GPRESSURE: 2845000 -25.0947 -22.5031 -38.1354 -136.309 99.9347 -150.395 -21.1361 -118.197 90.6239 PRESSAVG: 2845000 -25.8932 -28.9628 36.1853 -28.9628 22.3489 26.5273 36.1852 26.5272 23.7041 GPRESSAVG: 2845000 -25.2001 -25.4135 38.2568 -30.4753 22.299 25.8929 36.18 28.6902 23.1383 TIMING: 2845000 CPU: 8482.38, 0.00297457/step Wall: 8482.38, 0.00297457/step, 1.78061 hours remaining, 206.734375 MB of memory in use. ENERGY: 2845000 750.9852 2092.1316 1928.0454 105.2060 -206525.4892 17875.3966 0.0000 0.0000 34208.5787 -149565.1458 298.7520 -183773.7244 -149464.8660 298.5847 23.8524 55.1546 557106.4716 6.7199 6.7458 PRESSURE: 2845200 -26.7911 -41.5383 -137.621 -41.5379 95.8851 -56.6601 -137.62 -56.6604 -209.906 GPRESSURE: 2845200 -12.836 -114.03 -186.181 32.4557 115.625 -27.3728 -48.7075 -74.4074 -139.813 PRESSAVG: 2845200 -62.7109 0.758466 -25.9039 0.758534 4.75792 -0.30339 -25.9039 -0.303423 84.6115 GPRESSAVG: 2845200 -61.9361 -2.92024 -28.3095 0.865005 4.83639 2.86965 -25.8012 -6.22166 83.2966 TIMING: 2845200 CPU: 8482.97, 0.00297148/step Wall: 8482.97, 0.00297148/step, 1.77859 hours remaining, 206.734375 MB of memory in use. ENERGY: 2845200 735.0587 2102.7998 1916.2491 108.0454 -206467.1012 17793.5995 0.0000 0.0000 34057.1475 -149754.2011 297.4295 -183811.3486 -149657.5967 297.7863 -46.9372 -12.3413 556802.0444 8.8862 8.7323 PRESSURE: 2845400 115.59 62.2083 -16.9262 62.2095 115.872 -103.463 -16.9271 -103.463 373.409 GPRESSURE: 2845400 194.491 -52.0727 7.40294 132.1 150.319 -102.298 3.88201 -125.524 373.504 PRESSAVG: 2845400 -37.3076 21.6287 -70.4221 21.6287 47.2878 -55.1679 -70.4221 -55.168 -4.35074 GPRESSAVG: 2845400 -37.2001 22.4044 -70.3204 23.0628 48.2172 -58.3967 -69.5527 -51.5386 -5.10519 TIMING: 2845400 CPU: 8483.57, 0.002997/step Wall: 8483.57, 0.002997/step, 1.7937 hours remaining, 206.734375 MB of memory in use. ENERGY: 2845400 731.2478 2043.4077 1904.8944 114.8911 -206352.5731 17871.9494 0.0000 0.0000 33961.9347 -149724.2481 296.5980 -183686.1828 -149625.2618 296.9984 201.6238 239.4381 556095.1651 1.8765 1.9706 PRESSURE: 2845600 208.095 175.342 -50.1742 175.341 -37.0937 -20.0985 -50.1749 -20.0973 -269.39 GPRESSURE: 2845600 210.254 175.316 -28.422 174.511 36.0705 -84.3972 -66.0902 -48.2603 -259.759 PRESSAVG: 2845600 4.26593 54.6015 -28.2517 54.6015 7.87906 13.7073 -28.2516 13.7075 9.43482 GPRESSAVG: 2845600 3.07277 57.4333 -27.8178 53.4106 8.28199 11.2454 -28.8372 14.3545 9.89829 TIMING: 2845600 CPU: 8484.17, 0.00298631/step Wall: 8484.17, 0.00298631/step, 1.78714 hours remaining, 206.734375 MB of memory in use. ENERGY: 2845600 715.2121 2091.7309 1927.4740 124.2415 -206571.0026 17938.7023 0.0000 0.0000 34143.3604 -149630.2813 298.1825 -183773.6417 -149534.9417 297.7642 -32.7961 -4.4782 558347.3428 7.1933 7.0844 PRESSURE: 2845800 142.975 5.86191 -277.121 5.8627 -45.3894 -37.1477 -277.121 -37.1478 -216.815 GPRESSURE: 2845800 214.27 28.4062 -298.054 13.3842 -91.438 -98.5399 -185.996 -0.329853 -138.86 PRESSAVG: 2845800 49.4223 -13.4045 3.17868 -13.4045 7.30169 46.5166 3.17876 46.5167 -66.9752 GPRESSAVG: 2845800 51.3647 -15.9898 1.43117 -13.4445 4.11783 50.204 4.00744 47.7127 -66.4155 TIMING: 2845800 CPU: 8484.76, 0.00297744/step Wall: 8484.76, 0.00297744/step, 1.78167 hours remaining, 206.734375 MB of memory in use. ENERGY: 2845800 781.2773 2108.9296 1918.0161 108.9546 -206274.8851 17734.6516 0.0000 0.0000 34117.9538 -149505.1022 297.9606 -183623.0559 -149411.9398 298.3724 -39.7429 -5.3427 556693.0549 -3.4171 -3.6443 PRESSURE: 2846000 51.0197 -31.9969 -55.1411 -31.9977 -163.178 40.0057 -55.1415 40.0051 -60.2735 GPRESSURE: 2846000 34.9383 -121.168 -101.021 -18.2057 -79.6086 -25.777 -65.7328 28.7397 -36.5962 PRESSAVG: 2846000 -5.85984 -3.99628 -32.3002 -3.99626 40.1117 5.59263 -32.3002 5.59277 -55.2027 GPRESSAVG: 2846000 -7.65858 -4.06374 -31.2638 -4.6712 42.2735 3.57203 -31.9466 5.19732 -55.6645 TIMING: 2846000 CPU: 8485.36, 0.00297107/step Wall: 8485.36, 0.00297107/step, 1.77769 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2846000 707.6124 2090.0341 1962.1538 112.3662 -206485.7331 17757.9149 0.0000 0.0000 34150.4836 -149705.1681 298.2447 -183855.6517 -149604.2762 298.1884 -57.4771 -27.0888 556387.5773 -6.9836 -7.0165 PRESSURE: 2846200 -34.6789 -22.402 -0.898619 -22.4008 166.674 -181.287 -0.898773 -181.289 102.688 GPRESSURE: 2846200 48.8886 -53.97 10.4662 -107.71 217.579 -135.521 -39.5355 -157.839 72.4588 PRESSAVG: 2846200 30.8222 -1.83256 22.7982 -1.8325 34.8754 -27.8749 22.7982 -27.875 -27.984 GPRESSAVG: 2846200 31.0638 0.786433 23.4458 -3.53729 35.9753 -24.9897 20.7761 -27.8119 -28.9239 TIMING: 2846200 CPU: 8485.96, 0.00299531/step Wall: 8485.96, 0.00299531/step, 1.79203 hours remaining, 206.734375 MB of memory in use. ENERGY: 2846200 702.7841 2081.5514 1932.3642 120.8645 -206934.4703 18109.9425 0.0000 0.0000 34250.8733 -149736.0904 299.1214 -183986.9636 -149641.9888 298.1646 78.2277 112.9753 557446.1259 12.5712 12.7051 PRESSURE: 2846400 156.625 27.1257 99.0826 27.1263 132.757 43.9318 99.0837 43.932 -31.2097 GPRESSURE: 2846400 222.121 31.4072 61.523 42.3892 143.187 5.30837 90.701 -18.8423 -1.07557 PRESSAVG: 2846400 7.69176 39.8004 -13.4594 39.8004 10.9037 -78.5823 -13.4594 -78.5822 26.041 GPRESSAVG: 2846400 7.52831 37.256 -14.2144 41.9505 8.71957 -81.4756 -11.9059 -78.3931 28.8766 TIMING: 2846400 CPU: 8486.55, 0.00296844/step Wall: 8486.55, 0.00296844/step, 1.77579 hours remaining, 206.734375 MB of memory in use. ENERGY: 2846400 731.6078 2124.6391 1923.3315 105.0083 -206204.0012 17728.6199 0.0000 0.0000 33852.2633 -149738.5312 295.6402 -183590.7945 -149639.3184 297.7875 86.0576 121.4105 556703.9500 14.8788 15.0415 PRESSURE: 2846600 333.267 -29.6039 87.4323 -29.6027 50.3385 79.4851 87.4333 79.4855 221.894 GPRESSURE: 2846600 368.433 45.2022 93.5298 -54.7805 72.9457 110.3 121.464 24.2686 256.35 PRESSAVG: 2846600 39.4576 36.7761 76.4064 36.7761 0.234869 -48.1873 76.4064 -48.1872 -1.35539 GPRESSAVG: 2846600 39.7027 38.1326 76.9926 35.0782 2.65841 -47.2384 75.3315 -50.1043 -3.93249 TIMING: 2846600 CPU: 8487.14, 0.00294568/step Wall: 8487.14, 0.00294568/step, 1.76201 hours remaining, 206.734375 MB of memory in use. ENERGY: 2846600 764.0512 1991.5756 1934.6633 111.0955 -207043.3794 18165.9857 0.0000 0.0000 34259.8719 -149816.1362 299.2000 -184076.0081 -149713.5445 297.6738 201.8332 232.5760 556814.0851 12.7790 12.8095 PRESSURE: 2846800 97.9754 23.7744 -210.186 23.7737 257.93 152.035 -210.186 152.035 249.687 GPRESSURE: 2846800 106.933 -36.7507 -154.6 -7.47546 274.274 235.609 -196.376 191.387 316.782 PRESSAVG: 2846800 -29.8129 15.6768 13.2683 15.6769 6.84772 -10.2093 13.2684 -10.2093 -0.867777 GPRESSAVG: 2846800 -31.0712 14.7788 13.9884 16.244 5.62345 -11.3673 14.0016 -9.86705 1.07951 TIMING: 2846800 CPU: 8487.73, 0.00296529/step Wall: 8487.73, 0.00296529/step, 1.77357 hours remaining, 206.734375 MB of memory in use. ENERGY: 2846800 743.1172 2061.1582 1919.3043 106.0966 -206905.0583 18175.0336 0.0000 0.0000 34039.5466 -149860.8019 297.2758 -183900.3485 -149765.8961 296.8950 201.8639 232.6629 556335.9507 -7.9443 -8.1228 PRESSURE: 2847000 -271.764 3.82147 72.1237 3.82161 -181.115 45.7366 72.124 45.737 -276.096 GPRESSURE: 2847000 -237.529 50.7916 55.802 25.2843 -82.0523 73.1291 83.7553 -103.121 -304.543 PRESSAVG: 2847000 11.2186 61.371 4.44576 61.3711 3.82813 -42.5216 4.4457 -42.5217 -30.5674 GPRESSAVG: 2847000 12.1165 62.1171 3.98649 62.5417 4.16684 -42.061 3.80975 -42.5225 -31.8445 TIMING: 2847000 CPU: 8488.33, 0.00298178/step Wall: 8488.33, 0.00298178/step, 1.78327 hours remaining, 206.734375 MB of memory in use. ENERGY: 2847000 761.2232 2078.4711 1931.7087 116.2835 -206645.1832 17838.6026 0.0000 0.0000 34088.0894 -149830.8047 297.6998 -183918.8941 -149738.8587 297.2692 -242.9916 -208.0414 558795.4432 -5.1736 -5.1870 PRESSURE: 2847200 -219.334 27.8975 -25.9231 27.8984 116.002 -193.761 -25.9243 -193.759 97.0473 GPRESSURE: 2847200 -190.591 -20.7885 -18.7413 56.9192 132.137 -293.907 -28.0763 -114.046 141.847 PRESSAVG: 2847200 -47.7972 51.7875 -20.1742 51.7876 -41.3032 -9.68871 -20.1742 -9.68871 65.0653 GPRESSAVG: 2847200 -48.463 51.9931 -21.6267 51.7968 -40.6521 -8.61578 -19.269 -7.67183 65.3178 TIMING: 2847200 CPU: 8488.93, 0.00299093/step Wall: 8488.93, 0.00299092/step, 1.78857 hours remaining, 206.734375 MB of memory in use. ENERGY: 2847200 731.3362 2136.9449 1932.2865 114.8696 -206472.8345 17905.1628 0.0000 0.0000 34099.6616 -149552.5729 297.8008 -183652.2345 -149453.7647 297.7764 -2.0950 27.7973 557896.6591 -8.0117 -7.9324 PRESSURE: 2847400 15.2437 78.9531 16.8507 78.9525 -370.023 72.9004 16.8507 72.9011 -56.4451 GPRESSURE: 2847400 38.6924 52.8109 42.4823 96.3522 -301.606 13.6115 28.5741 26.1118 -46.9614 PRESSAVG: 2847400 -1.07848 60.965 -21.6025 60.965 5.19919 0.500755 -21.6026 0.500703 20.5293 GPRESSAVG: 2847400 -1.80795 59.2599 -21.995 60.3141 4.75285 -1.72624 -22.8305 -2.1712 21.2656 TIMING: 2847400 CPU: 8489.52, 0.00297269/step Wall: 8489.52, 0.00297269/step, 1.77751 hours remaining, 206.734375 MB of memory in use. ENERGY: 2847400 762.1662 2099.6525 1942.1020 99.0382 -206395.3139 17773.6655 0.0000 0.0000 34225.5618 -149493.1278 298.9003 -183718.6896 -149402.0136 298.1261 -137.0749 -103.2917 557455.8009 8.2167 8.0702 PRESSURE: 2847600 269.816 51.9673 79.3678 51.9668 157.979 -4.94962 79.368 -4.94825 166.473 GPRESSURE: 2847600 312.834 28.2664 23.4787 -98.9554 153.469 -11.2158 58.8522 -53.8338 233.504 PRESSAVG: 2847600 11.1475 -42.8626 -32.1544 -42.8626 -45.2118 -7.68966 -32.1544 -7.6897 6.94949 GPRESSAVG: 2847600 12.3342 -42.0365 -33.5032 -41.4182 -45.2289 -5.75634 -31.3081 -5.88784 6.2213 TIMING: 2847600 CPU: 8490.12, 0.00297622/step Wall: 8490.12, 0.00297622/step, 1.77945 hours remaining, 206.734375 MB of memory in use. ENERGY: 2847600 742.9793 2068.4629 1911.9915 116.0792 -206989.6189 18146.8358 0.0000 0.0000 34473.3280 -149529.9422 301.0641 -184003.2702 -149430.6203 298.7501 198.0892 233.2688 556693.4598 -9.0383 -8.8911 PRESSURE: 2847800 -172.021 55.3838 156.198 55.3833 -182.967 -40.088 156.198 -40.0882 164.727 GPRESSURE: 2847800 -120.518 48.7091 122.789 -0.970432 -190.744 32.6674 81.4252 -70.0433 222.305 PRESSAVG: 2847800 6.31027 15.1036 -1.17867 15.1035 -65.6385 21.5038 -1.17867 21.5036 56.55 GPRESSAVG: 2847800 5.8732 15.8771 0.567652 13.242 -65.4271 23.2112 -2.05017 20.9572 56.814 TIMING: 2847800 CPU: 8490.72, 0.00298563/step Wall: 8490.72, 0.00298563/step, 1.78491 hours remaining, 206.734375 MB of memory in use. ENERGY: 2847800 718.0947 2101.8310 1933.8102 118.1902 -206442.0135 17857.9538 0.0000 0.0000 34120.3625 -149591.7710 297.9816 -183712.1335 -149496.1537 298.3371 -63.4204 -29.6523 558138.1151 -0.9261 -0.9133 PRESSURE: 2848000 82.9125 -89.5339 -49.7837 -89.5322 10.4266 -5.96927 -49.7831 -5.96819 -72.1187 GPRESSURE: 2848000 59.4277 -29.8599 -26.0199 -77.4135 85.0565 -38.2326 -66.2188 9.8476 -27.0759 PRESSAVG: 2848000 -3.06836 7.97693 -34.4814 7.97692 3.25643 19.4681 -34.4814 19.4681 37.1225 GPRESSAVG: 2848000 -2.04403 11.0129 -34.4599 5.03327 2.35526 18.7609 -35.922 19.2408 37.1974 TIMING: 2848000 CPU: 8491.31, 0.00297421/step Wall: 8491.31, 0.00297421/step, 1.77792 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2848000 771.7615 2091.6191 1941.9599 119.7767 -206615.5817 17839.6852 0.0000 0.0000 34178.0583 -149672.7210 298.4855 -183850.7793 -149585.5732 298.1257 7.0735 39.1361 556352.1635 12.4369 12.5029 PRESSURE: 2848200 -27.5791 -20.2532 -162.966 -20.2535 2.08002 -23.1357 -162.965 -23.137 83.2506 GPRESSURE: 2848200 -23.934 -2.03027 -216.836 -55.6628 72.8015 11.9342 -82.8699 50.2221 104.014 PRESSAVG: 2848200 15.998 -44.0582 -79.2122 -44.0583 -37.3667 43.7763 -79.2122 43.7763 0.298601 GPRESSAVG: 2848200 14.7526 -45.0784 -79.0924 -41.7763 -37.2496 41.7931 -79.1025 43.5356 0.471463 TIMING: 2848200 CPU: 8491.91, 0.00300965/step Wall: 8491.91, 0.00300965/step, 1.79893 hours remaining, 206.734375 MB of memory in use. ENERGY: 2848200 732.6544 2059.9485 1953.4194 116.8271 -206605.1881 17978.1384 0.0000 0.0000 34017.4176 -149746.7828 297.0826 -183764.2003 -149645.9028 298.0451 19.2505 50.9605 556062.4198 -7.0234 -7.3418 LDB: ============= START OF LOAD BALANCING ============== 8495.46 LDB: ============== END OF LOAD BALANCING =============== 8495.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8495.47 LDB: ============= START OF LOAD BALANCING ============== 8495.76 LDB: Largest compute 4773 load 0.027032 is 22.9% of average load 0.118262 LDB: Average compute 0.001733 is 1.5% of average load 0.118262 LDB: TIME 8495.77 LOAD: AVG 0.118262 MAX 0.203241 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 8495.77 LOAD: AVG 0.118262 MAX 0.203241 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.285 MB LDB: TIME 8495.77 LOAD: AVG 0.118262 MAX 0.203241 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.285 MB LDB: ============== END OF LOAD BALANCING =============== 8495.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8495.77 PRESSURE: 2848400 -147.593 -46.28 25.6784 -46.2798 -363.362 30.1739 25.6774 30.1745 -34.3303 GPRESSURE: 2848400 -133.123 -16.5084 15.1556 -64.0804 -336.86 140.45 48.5535 -15.5355 21.4123 PRESSAVG: 2848400 -27.8642 -18.2775 -40.3814 -18.2775 -26.5089 8.87423 -40.3814 8.87432 9.26891 GPRESSAVG: 2848400 -26.8708 -19.1277 -41.7354 -16.8951 -27.6976 11.3736 -39.8242 7.8324 9.41682 TIMING: 2848400 CPU: 8492.52, 0.00304893/step Wall: 8492.52, 0.00304893/step, 1.82224 hours remaining, 207.503906 MB of memory in use. ENERGY: 2848400 771.9142 2144.4989 1929.6958 108.6606 -206490.1060 17734.7584 0.0000 0.0000 34090.0452 -149710.5329 297.7168 -183800.5781 -149619.7116 297.2520 -181.7616 -149.5233 557680.0702 -15.0347 -15.0505 PRESSURE: 2848600 4.13463 32.0985 3.96364 32.0997 -182.049 -144.598 3.96379 -144.596 -102.944 GPRESSURE: 2848600 17.4341 24.1106 -95.9151 132.182 -129.48 -132.9 12.6811 -141.778 -69.0417 PRESSAVG: 2848600 21.94 14.4657 -18.1699 14.4658 -46.7456 38.9236 -18.1699 38.9236 40.1647 GPRESSAVG: 2848600 20.6416 13.1997 -17.2131 13.8902 -44.8477 36.3817 -18.3252 40.0662 39.7466 TIMING: 2848600 CPU: 8493.12, 0.0029974/step Wall: 8493.12, 0.0029974/step, 1.79128 hours remaining, 207.503906 MB of memory in use. ENERGY: 2848600 777.0019 2092.2602 1924.1518 109.8133 -206770.3194 18063.2402 0.0000 0.0000 34214.5383 -149589.3138 298.8041 -183803.8521 -149490.3764 298.5736 -93.6194 -60.3624 558916.9474 5.1197 5.1802 PRESSURE: 2848800 13.7509 -29.5225 19.5537 -29.5229 -211.408 -186.357 19.553 -186.357 -72.7451 GPRESSURE: 2848800 43.3954 -9.87457 39.8727 -60.9555 -178.717 -116.469 7.9101 -206.164 -25.1859 PRESSAVG: 2848800 23.5807 19.9497 -25.7936 19.9497 -52.4841 -15.4293 -25.7936 -15.4293 18.5967 GPRESSAVG: 2848800 25.4207 20.8004 -26.8333 18.9835 -53.4849 -12.4897 -25.0345 -15.4805 17.9421 TIMING: 2848800 CPU: 8493.72, 0.00299258/step Wall: 8493.72, 0.00299258/step, 1.78823 hours remaining, 207.503906 MB of memory in use. ENERGY: 2848800 705.4190 2072.4159 1940.8915 115.1906 -206138.3724 17737.1082 0.0000 0.0000 34140.5582 -149426.7890 298.1580 -183567.3472 -149336.8956 298.1459 -90.1342 -53.5026 557940.4207 -3.4356 -3.3740 PRESSURE: 2849000 119.1 53.5925 -57.9954 53.5925 -6.8164 -3.40374 -57.9954 -3.40403 -209.15 GPRESSURE: 2849000 142.92 -106.223 -61.7056 94.501 48.8507 65.4776 -89.5277 -26.3156 -179.095 PRESSAVG: 2849000 76.001 -22.0033 -56.6613 -22.0033 -32.3576 20.2641 -56.6613 20.2641 -26.1156 GPRESSAVG: 2849000 75.2257 -19.8701 -56.094 -20.5089 -32.0294 17.3114 -55.7967 21.3408 -25.2352 TIMING: 2849000 CPU: 8494.31, 0.00295903/step Wall: 8494.31, 0.00295903/step, 1.76802 hours remaining, 207.503906 MB of memory in use. ENERGY: 2849000 779.4925 2061.6125 1917.9615 126.3705 -206100.8649 17722.2500 0.0000 0.0000 34182.5495 -149310.6284 298.5247 -183493.1779 -149215.4695 298.9800 -32.2887 4.2254 557785.3892 5.8426 5.9870 PRESSURE: 2849200 142.098 143.657 -76.9777 143.657 355.378 41.9873 -76.9786 41.9883 217.639 GPRESSURE: 2849200 183.674 166.773 -45.8804 129.214 369.949 85.4976 -140.142 30.3073 254.575 PRESSAVG: 2849200 17.1879 46.23 -2.71066 46.2301 -33.996 45.8927 -2.71068 45.8927 48.6798 GPRESSAVG: 2849200 16.9004 45.2739 -1.14447 43.7433 -34.6195 48.5472 -5.58139 44.9901 49.465 TIMING: 2849200 CPU: 8494.9, 0.00293858/step Wall: 8494.9, 0.00293858/step, 1.75564 hours remaining, 207.503906 MB of memory in use. ENERGY: 2849200 737.5929 2082.3250 1916.8174 109.1669 -206644.9288 18129.6179 0.0000 0.0000 34358.4937 -149310.9150 300.0613 -183669.4087 -149211.0790 298.6406 238.3717 269.3995 557518.2214 10.6239 10.5820 PRESSURE: 2849400 90.9792 -106.279 -146.748 -106.278 56.0638 -195.599 -146.746 -195.598 175.283 GPRESSURE: 2849400 98.0955 -165.198 -182.095 -115.163 119.272 -280.053 -102.301 -119.664 189.015 PRESSAVG: 2849400 13.8318 43.4261 -34.9463 43.4261 -43.1835 -25.9944 -34.9463 -25.9943 8.99869 GPRESSAVG: 2849400 13.9555 42.25 -36.926 46.0733 -43.1164 -27.6655 -33.8158 -26.6721 8.02268 TIMING: 2849400 CPU: 8495.49, 0.00293665/step Wall: 8495.49, 0.00293665/step, 1.75433 hours remaining, 207.503906 MB of memory in use. ENERGY: 2849400 744.0894 2079.4183 1912.3298 114.9547 -206307.3820 17889.8710 0.0000 0.0000 34243.8158 -149322.9030 299.0598 -183566.7188 -149222.3405 298.5192 107.4421 135.4607 558497.5016 -6.7843 -7.0461 PRESSURE: 2849600 -91.392 49.084 -23.178 49.0843 -76.592 145.395 -23.1785 145.394 -165.595 GPRESSURE: 2849600 -52.6162 58.4774 2.05963 39.097 -19.1021 178.164 -39.9345 142.13 -156.37 PRESSAVG: 2849600 49.6341 -15.7321 12.8295 -15.7321 9.03885 1.28646 12.8295 1.28641 -66.8887 GPRESSAVG: 2849600 50.6659 -16.7073 12.2108 -15.348 8.5726 0.677473 14.1353 0.386752 -67.6009 TIMING: 2849600 CPU: 8496.08, 0.00296718/step Wall: 8496.08, 0.00296718/step, 1.7724 hours remaining, 207.503906 MB of memory in use. ENERGY: 2849600 739.1480 2093.0362 1949.1020 116.8181 -206157.9168 17692.5681 0.0000 0.0000 34174.8166 -149392.4279 298.4572 -183567.2444 -149298.7524 299.0288 -111.1931 -76.0295 557514.5067 -2.7386 -2.7875 PRESSURE: 2849800 -115.402 -6.25795 25.5316 -6.25771 129.697 9.53533 25.531 9.53401 99.6534 GPRESSURE: 2849800 -91.9142 82.0185 91.4481 25.3867 176.475 -72.0536 -67.1722 31.6022 135.367 PRESSAVG: 2849800 -10.5151 -28.1839 8.16728 -28.1838 11.0785 35.6301 8.16733 35.6301 -4.03498 GPRESSAVG: 2849800 -10.7071 -27.3298 8.37487 -28.9255 10.6272 36.1791 8.69722 35.6392 -2.95136 TIMING: 2849800 CPU: 8496.68, 0.00298314/step Wall: 8496.68, 0.00298314/step, 1.78176 hours remaining, 207.503906 MB of memory in use. ENERGY: 2849800 739.4808 2073.0303 1931.5873 103.0125 -206497.6436 17958.2914 0.0000 0.0000 34263.6915 -149428.5498 299.2333 -183692.2413 -149333.8058 298.0940 37.9829 73.3091 558389.3281 -1.1572 -1.0104 PRESSURE: 2850000 -49.1966 42.7195 11.5585 42.7194 -104.24 39.5997 11.5592 39.5993 9.25742 GPRESSURE: 2850000 -34.988 -14.2568 65.082 89.6491 -86.0567 132.615 -51.1322 21.4399 81.2438 PRESSAVG: 2850000 35.05 0.205205 -38.2348 0.205276 -58.8722 14.4184 -38.2348 14.4185 38.3872 GPRESSAVG: 2850000 34.5282 1.85589 -37.8397 -0.567691 -58.1667 13.3283 -40.6242 16.2268 38.9699 TIMING: 2850000 CPU: 8497.27, 0.00297749/step Wall: 8497.27, 0.00297749/step, 1.77822 hours remaining, 207.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2850000 727.8089 2087.5862 1908.2811 114.4150 -206359.8216 17901.5808 0.0000 0.0000 34334.1290 -149286.0205 299.8485 -183620.1495 -149193.9925 298.9016 -48.0597 -13.2670 558378.6887 4.8550 5.1105 PRESSURE: 2850200 -373.958 -38.2909 -221.567 -38.2903 -8.40537 -8.0145 -221.567 -8.01308 -42.3835 GPRESSURE: 2850200 -290.936 -39.5818 -187.603 -78.0081 40.8611 35.5945 -113.865 -63.8508 -84.332 PRESSAVG: 2850200 -15.135 28.3107 -41.5131 28.3108 -12.8556 3.37018 -41.5132 3.37022 6.7604 GPRESSAVG: 2850200 -15.4073 27.3615 -41.5516 28.7885 -12.3291 5.15203 -39.4685 2.65932 5.96681 TIMING: 2850200 CPU: 8497.87, 0.0029694/step Wall: 8497.87, 0.0029694/step, 1.77323 hours remaining, 207.503906 MB of memory in use. ENERGY: 2850200 690.2286 2060.1590 1925.1986 113.5624 -206411.3262 17756.8481 0.0000 0.0000 34451.0378 -149414.2917 300.8695 -183865.3295 -149315.3962 299.0070 -141.5822 -111.4690 558913.3412 -7.0767 -7.2565 PRESSURE: 2850400 108.439 -118.855 -74.558 -118.854 -120.835 94.2806 -74.5575 94.2806 66.3284 GPRESSURE: 2850400 104.539 -143.362 2.99984 -133.58 -12.2545 88.423 -44.5922 120.984 70.0234 PRESSAVG: 2850400 -55.2805 10.2174 -74.255 10.2175 49.6901 9.4505 -74.2549 9.45044 -27.2904 GPRESSAVG: 2850400 -54.7959 9.57514 -73.5675 10.448 48.6529 8.64643 -75.3388 10.3684 -26.525 TIMING: 2850400 CPU: 8498.46, 0.00298549/step Wall: 8498.46, 0.00298549/step, 1.78267 hours remaining, 207.503906 MB of memory in use. ENERGY: 2850400 703.3631 2079.2899 1956.6330 117.8146 -206732.5458 18063.8430 0.0000 0.0000 34296.9974 -149514.6048 299.5242 -183811.6022 -149418.4549 298.8642 17.9774 54.1026 557849.5607 -10.9602 -10.8894 PRESSURE: 2850600 302.309 10.5204 -96.6075 10.5195 120.016 105.245 -96.6083 105.246 153.593 GPRESSURE: 2850600 279.695 -22.2852 -122.52 58.8152 150.062 43.5559 -144.486 76.702 245.444 PRESSAVG: 2850600 56.5387 62.7397 -78.8807 62.7396 -40.3542 -39.2508 -78.8807 -39.2509 30.043 GPRESSAVG: 2850600 56.5761 63.6418 -79.4609 62.835 -40.1054 -39.7022 -78.8506 -40.2432 29.5749 TIMING: 2850600 CPU: 8499.06, 0.0029603/step Wall: 8499.06, 0.0029603/step, 1.76746 hours remaining, 207.503906 MB of memory in use. ENERGY: 2850600 746.8176 2017.2261 1978.2422 117.9895 -206963.8174 18219.5253 0.0000 0.0000 34424.1776 -149459.8391 300.6349 -183884.0167 -149373.9780 299.1638 191.9725 225.0668 558139.4184 15.4091 15.3485 PRESSURE: 2850800 -263.35 1.89001 -126.994 1.88872 -81.8038 19.3756 -126.995 19.3751 -168.733 GPRESSURE: 2850800 -229.398 -5.68899 -72.1883 51.3147 -43.6043 33.8651 -89.596 67.0403 -133.331 PRESSAVG: 2850800 9.20801 21.55 -22.9621 21.5501 3.1271 -6.51117 -22.9621 -6.51115 1.63865 GPRESSAVG: 2850800 8.90878 20.5281 -21.8741 21.0282 3.03788 -6.40268 -22.4486 -5.67005 1.55101 TIMING: 2850800 CPU: 8499.65, 0.00299025/step Wall: 8499.65, 0.00299025/step, 1.78518 hours remaining, 207.503906 MB of memory in use. ENERGY: 2850800 766.7690 2125.4131 1944.2667 118.0365 -206034.0547 17746.4315 0.0000 0.0000 33921.1889 -149411.9490 296.2422 -183333.1378 -149326.6789 298.8438 -171.2957 -135.4444 559493.3467 4.6579 4.4992 PRESSURE: 2851000 83.9939 107.425 6.69813 107.425 -175.814 169.362 6.69978 169.363 -201.655 GPRESSURE: 2851000 144.825 178.267 12.4917 71.6689 -120.521 178.2 -13.0222 142.298 -202.977 PRESSAVG: 2851000 -22.1655 -26.5867 -23.2875 -26.5866 50.5706 -13.163 -23.2875 -13.163 -0.539597 GPRESSAVG: 2851000 -22.721 -26.1033 -24.0143 -27.0532 50.59 -13.8759 -22.3809 -12.0636 -0.455875 TIMING: 2851000 CPU: 8500.25, 0.00296185/step Wall: 8500.25, 0.00296185/step, 1.76806 hours remaining, 207.503906 MB of memory in use. ENERGY: 2851000 771.4515 2082.8882 1939.8000 112.3493 -206269.0225 17773.6893 0.0000 0.0000 34221.9802 -149366.8640 298.8691 -183588.8442 -149271.0996 298.6803 -97.8252 -59.5577 559163.9044 9.2885 9.1377 PRESSURE: 2851200 174.286 -50.2723 80.0745 -50.2727 -272.689 -34.094 80.0745 -34.0933 -118.609 GPRESSURE: 2851200 144.348 -54.3624 42.9008 35.3288 -225.644 19.7435 109.679 -21.9025 -29.2525 PRESSAVG: 2851200 25.9604 -8.71437 33.384 -8.71433 -37.2644 -48.3242 33.384 -48.3243 34.803 GPRESSAVG: 2851200 25.3936 -8.76425 33.3687 -6.37647 -36.9717 -47.257 32.3798 -50.8722 35.673 TIMING: 2851200 CPU: 8500.84, 0.00296581/step Wall: 8500.84, 0.00296581/step, 1.77026 hours remaining, 207.503906 MB of memory in use. ENERGY: 2851200 760.4048 2093.2719 1926.0499 119.7719 -205958.2534 17645.3640 0.0000 0.0000 34306.4678 -149106.9231 299.6069 -183413.3909 -149015.2321 299.6553 -72.3370 -36.8497 559146.3114 7.8330 8.0316 PRESSURE: 2851400 3.29982 161.224 59.7481 161.224 82.0058 -92.0336 59.7478 -92.0333 334.125 GPRESSURE: 2851400 98.6935 85.2586 4.62848 188.512 67.0622 -139.194 78.2301 -40.0642 352.919 PRESSAVG: 2851400 53.2735 1.71456 43.221 1.71451 -53.3924 -34.8978 43.2209 -34.8978 24.2734 GPRESSAVG: 2851400 54.6348 3.33592 42.3184 0.262442 -53.4841 -35.896 43.5806 -32.8584 23.9026 TIMING: 2851400 CPU: 8501.43, 0.00295615/step Wall: 8501.43, 0.00295615/step, 1.76433 hours remaining, 207.503906 MB of memory in use. ENERGY: 2851400 715.3884 2119.1675 1950.8548 120.5262 -206278.8194 17946.1135 0.0000 0.0000 34323.1692 -149103.5998 299.7528 -183426.7690 -149008.9255 299.6686 139.8103 172.8916 557141.5346 8.0515 8.3511 PRESSURE: 2851600 108.242 -340.001 -16.6634 -340 -69.7617 -108.528 -16.6642 -108.528 161.69 GPRESSURE: 2851600 123.238 -320.605 40.1367 -378.516 -5.5854 -79.9054 -44.57 -84.815 191.778 PRESSAVG: 2851600 35.0294 -33.5783 -5.2358 -33.5784 -1.28453 -33.2775 -5.23581 -33.2776 -14.0975 GPRESSAVG: 2851600 33.892 -34.1433 -6.66254 -33.8023 0.714668 -31.5212 -5.69954 -36.0511 -15.1438 TIMING: 2851600 CPU: 8502.02, 0.00294603/step Wall: 8502.02, 0.00294603/step, 1.75813 hours remaining, 207.503906 MB of memory in use. ENERGY: 2851600 751.6599 2083.8933 1948.5972 107.0685 -206087.2238 17783.3476 0.0000 0.0000 34167.2287 -149245.4284 298.3909 -183412.6572 -149148.0721 299.2257 66.7236 103.1436 556748.4658 6.5491 6.4876 PRESSURE: 2851800 -44.2176 22.7963 29.3987 22.7962 7.42202 -51.7379 29.3985 -51.7372 55.6643 GPRESSURE: 2851800 -28.4489 10.3835 32.2381 84.5622 106.623 -106.595 32.3934 120.007 35.1174 PRESSAVG: 2851800 36.4208 -22.6518 75.8701 -22.6518 -18.4839 -54.1155 75.8702 -54.1155 12.5021 GPRESSAVG: 2851800 37.3448 -25.3034 80.0779 -19.8898 -20.412 -53.901 73.9561 -53.3254 13.0378 TIMING: 2851800 CPU: 8502.61, 0.00296907/step Wall: 8502.61, 0.00296907/step, 1.77171 hours remaining, 207.503906 MB of memory in use. ENERGY: 2851800 734.6122 2116.0359 1941.1833 107.8493 -206008.8938 17789.6876 0.0000 0.0000 34391.8596 -148927.6659 300.3527 -183319.5255 -148829.1604 298.9660 6.2896 37.7639 558203.4406 10.1463 9.9902 PRESSURE: 2852000 -189.518 87.6329 -7.05773 87.6339 -297.547 -55.2976 -7.05646 -55.2995 -192.892 GPRESSURE: 2852000 -151.621 152.6 -3.95469 -17.403 -273.431 -59.3088 -43.0831 -51.3292 -145.374 PRESSAVG: 2852000 34.1988 -12.3942 6.69068 -12.3943 -37.0318 2.15239 6.69071 2.1524 38.292 GPRESSAVG: 2852000 34.0571 -9.93814 5.29468 -14.1167 -36.2226 1.68555 8.62419 3.62908 37.2757 TIMING: 2852000 CPU: 8503.21, 0.00297127/step Wall: 8503.21, 0.00297127/step, 1.77286 hours remaining, 207.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2852000 743.5450 2097.2019 1927.2570 137.0111 -205640.8428 17461.4414 0.0000 0.0000 34290.2530 -148984.1335 299.4653 -183274.3864 -148889.7445 299.8281 -226.6522 -190.1423 558577.0047 11.8196 11.7034 PRESSURE: 2852200 183.255 153.566 -98.1078 153.565 23.8118 54.9725 -98.1077 54.9728 159.579 GPRESSURE: 2852200 184.398 143.264 -62.1488 210.852 105.166 4.94678 -81.6164 41.3575 178.203 PRESSAVG: 2852200 38.8989 24.8804 -39.7709 24.8804 -1.49698 28.056 -39.7708 28.056 -84.6638 GPRESSAVG: 2852200 37.6868 26.9909 -37.1399 22.9078 -2.48283 27.8897 -41.8239 27.2773 -83.4019 TIMING: 2852200 CPU: 8503.8, 0.00296907/step Wall: 8503.8, 0.00296907/step, 1.77138 hours remaining, 207.503906 MB of memory in use. ENERGY: 2852200 737.2890 2149.3326 1923.5988 112.9588 -205719.1410 17738.8743 0.0000 0.0000 34193.7127 -148863.3748 298.6222 -183057.0875 -148770.6097 298.9378 122.2153 155.9222 557940.3391 -15.7540 -16.0660 LDB: ============= START OF LOAD BALANCING ============== 8507.35 LDB: ============== END OF LOAD BALANCING =============== 8507.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8507.35 LDB: ============= START OF LOAD BALANCING ============== 8507.65 LDB: Largest compute 4773 load 0.027925 is 23.6% of average load 0.118177 LDB: Average compute 0.001743 is 1.5% of average load 0.118177 LDB: TIME 8507.65 LOAD: AVG 0.118177 MAX 0.202724 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.18 MB LDB: TIME 8507.65 LOAD: AVG 0.118177 MAX 0.202724 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.18 MB LDB: TIME 8507.65 LOAD: AVG 0.118177 MAX 0.202724 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.18 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8507.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8507.65 PRESSURE: 2852400 -249.607 107.63 4.34062 107.63 -268.927 -108.933 4.34073 -108.931 -118.944 GPRESSURE: 2852400 -205.267 53.4167 -178.804 99.2796 -231.678 -87.9111 131.355 -128.87 -103.183 PRESSAVG: 2852400 14.1987 -23.2647 10.0252 -23.2647 18.8615 -40.9832 10.0253 -40.983 48.0692 GPRESSAVG: 2852400 14.0416 -25.8174 5.39033 -21.9374 19.3972 -40.7829 12.6363 -40.5591 48.0287 TIMING: 2852400 CPU: 8504.4, 0.0030149/step Wall: 8504.4, 0.0030149/step, 1.79856 hours remaining, 207.246094 MB of memory in use. ENERGY: 2852400 742.5771 2099.6104 1920.8748 117.5576 -205964.0999 17510.9264 0.0000 0.0000 34509.9392 -149062.6143 301.3839 -183572.5535 -148964.7082 299.7858 -212.4927 -180.0427 558810.3425 27.0431 27.1558 PRESSURE: 2852600 322.284 -63.9825 -14.896 -63.9836 92.2118 -71.6382 -14.8951 -71.6371 199.819 GPRESSURE: 2852600 310.093 -142.7 -87.0551 -81.4359 136.451 -38.8962 -20.3527 -63.2838 262.654 PRESSAVG: 2852600 18.0436 -17.3323 -10.1789 -17.3324 -48.4728 1.90569 -10.1788 1.90582 13.6171 GPRESSAVG: 2852600 18.9379 -14.7317 -7.05576 -18.874 -49.0836 2.72138 -11.8917 3.67668 13.5485 TIMING: 2852600 CPU: 8505, 0.00296903/step Wall: 8505, 0.00296903/step, 1.77102 hours remaining, 207.507812 MB of memory in use. ENERGY: 2852600 745.3029 2067.1002 1927.8046 114.6145 -206095.0226 17994.3274 0.0000 0.0000 34128.4052 -149117.4679 298.0519 -183245.8730 -149031.6334 299.4139 204.7716 236.3993 557394.3969 -5.6040 -5.5324 PRESSURE: 2852800 310.75 -129.541 -39.0935 -129.542 -39.2287 -0.289964 -39.0918 -0.289958 177.295 GPRESSURE: 2852800 317 -173.595 -21.5688 -106.619 26.0075 9.43877 32.5666 -9.43936 189.775 PRESSAVG: 2852800 -1.30689 -46.385 5.9106 -46.385 -29.6163 45.7781 5.91061 45.7781 3.07928 GPRESSAVG: 2852800 -0.862469 -48.3145 5.18485 -44.7652 -29.8933 45.2295 5.0529 42.6399 2.54817 TIMING: 2852800 CPU: 8505.58, 0.00292321/step Wall: 8505.58, 0.00292321/step, 1.74353 hours remaining, 207.507812 MB of memory in use. ENERGY: 2852800 735.4161 2133.2722 1924.2421 113.1388 -206264.6114 17961.3412 0.0000 0.0000 34302.7329 -149094.4682 299.5743 -183397.2011 -149002.9720 299.6853 149.6055 177.5943 556626.9978 -9.2813 -9.4025 PRESSURE: 2853000 174.139 -24.5213 -63.7007 -24.5218 132.566 -246.744 -63.7012 -246.745 -157.983 GPRESSURE: 2853000 161.276 -8.735 -16.279 -55.3392 142.056 -170.77 -81.8482 -270.994 -55.9397 PRESSAVG: 2853000 7.67292 -34.3466 3.38354 -34.3466 22.9724 -3.92514 3.38353 -3.92509 -4.10969 GPRESSAVG: 2853000 6.21685 -34.6861 5.14378 -34.1636 22.9711 -5.0768 5.16278 -0.732482 -3.20428 TIMING: 2853000 CPU: 8506.17, 0.00291317/step Wall: 8506.17, 0.00291317/step, 1.73738 hours remaining, 207.507812 MB of memory in use. ENERGY: 2853000 757.0660 2072.4149 1929.2318 124.2127 -206118.5014 17817.0462 0.0000 0.0000 34176.6940 -149241.8359 298.4736 -183418.5299 -149149.7769 299.5532 49.5743 82.4641 556854.7668 8.8452 8.6612 PRESSURE: 2853200 -371.348 -143.666 52.7679 -143.666 -159.371 38.7312 52.7664 38.7308 -160.836 GPRESSURE: 2853200 -316.953 -122.614 45.6816 -100.878 -178.704 1.86504 107.336 73.2715 -93.5519 PRESSAVG: 2853200 48.6711 15.1154 7.69089 15.1153 -23.9938 35.2303 7.69093 35.2303 -11.1323 GPRESSAVG: 2853200 48.9641 14.959 5.96384 14.8515 -22.8973 35.7627 8.69499 35.1707 -12.291 TIMING: 2853200 CPU: 8506.75, 0.00292984/step Wall: 8506.75, 0.00292984/step, 1.74716 hours remaining, 207.507812 MB of memory in use. ENERGY: 2853200 728.5008 2093.4477 1945.3557 116.7315 -206003.0976 17485.7144 0.0000 0.0000 34342.5364 -149290.8109 299.9219 -183633.3473 -149194.9605 299.2537 -230.5182 -196.4030 557428.7342 4.5150 4.5919 PRESSURE: 2853400 7.73881 2.09823 40.2835 2.09792 -23.5113 47.8153 40.2834 47.8158 186.694 GPRESSURE: 2853400 87.4188 3.03622 48.0668 -18.3704 -1.55564 66.912 -16.2187 -43.4586 189.04 PRESSAVG: 2853400 -27.2222 -3.90181 51.6458 -3.90174 -3.13523 -69.8034 51.6457 -69.8034 21.6337 GPRESSAVG: 2853400 -26.7619 -1.86354 51.2304 -4.34557 -4.15457 -71.1291 51.9953 -69.8715 22.1918 TIMING: 2853400 CPU: 8507.34, 0.0029458/step Wall: 8507.34, 0.0029458/step, 1.75651 hours remaining, 207.507812 MB of memory in use. ENERGY: 2853400 777.3338 2083.4704 1964.6072 112.4048 -206393.9557 18038.6269 0.0000 0.0000 34144.3547 -149273.1580 298.1911 -183417.5127 -149176.9123 298.9778 56.9737 91.6345 557858.6393 -2.9079 -2.9082 PRESSURE: 2853600 -8.82093 51.9148 86.4649 51.9162 155.678 -0.952442 86.4664 -0.952989 162.447 GPRESSURE: 2853600 11.9969 44.3194 23.8409 46.2603 175.242 68.3239 120.13 -3.76476 235.002 PRESSAVG: 2853600 36.4747 61.6577 39.0466 61.6577 -35.2862 -27.1018 39.0467 -27.1019 29.1968 GPRESSAVG: 2853600 35.6545 61.5579 38.768 62.3255 -35.1002 -26.7776 38.5607 -25.8129 29.747 TIMING: 2853600 CPU: 8507.93, 0.00294109/step Wall: 8507.93, 0.00294109/step, 1.75354 hours remaining, 207.507812 MB of memory in use. ENERGY: 2853600 718.0688 2123.2166 1925.1641 107.6452 -206407.3127 18027.8196 0.0000 0.0000 34162.1548 -149343.2435 298.3466 -183505.3984 -149250.6589 298.9463 103.1015 140.7470 557273.6249 10.1284 10.1004 PRESSURE: 2853800 -97.1658 -39.5792 124.315 -39.5782 -3.07502 -16.7444 124.315 -16.7447 -49.784 GPRESSURE: 2853800 -135.48 -21.8901 35.2134 -48.5216 8.91652 -56.6638 147.342 141.226 66.4208 PRESSAVG: 2853800 -44.7223 -58.7752 -20.4384 -58.7751 -5.55602 -69.6304 -20.4384 -69.6304 60.9084 GPRESSAVG: 2853800 -43.6733 -61.2039 -20.4412 -58.3084 -5.32179 -69.0974 -19.4281 -71.0796 60.0449 TIMING: 2853800 CPU: 8508.52, 0.00295103/step Wall: 8508.52, 0.00295103/step, 1.7593 hours remaining, 207.507812 MB of memory in use. ENERGY: 2853800 737.3393 2038.8066 1935.4487 116.3715 -206060.2687 17569.0201 0.0000 0.0000 34452.3627 -149210.9199 300.8811 -183663.2825 -149109.4185 299.1040 -50.0083 -20.0474 556942.0847 3.5434 3.6833 PRESSURE: 2854000 -121.012 -48.5166 -8.37945 -48.5163 -131.699 -116.717 -8.3796 -116.719 86.081 GPRESSURE: 2854000 -84.0878 -34.2429 33.9733 -31.7584 -120.065 -122.224 -24.2774 -75.0029 129.815 PRESSAVG: 2854000 52.2152 -37.4622 11.4465 -37.4623 -4.54596 -38.7856 11.4466 -38.7854 -33.7384 GPRESSAVG: 2854000 51.8214 -37.6617 12.3549 -37.094 -3.94846 -38.4318 10.6476 -36.9873 -33.6011 TIMING: 2854000 CPU: 8509.11, 0.0029589/step Wall: 8509.11, 0.0029589/step, 1.76383 hours remaining, 207.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2854000 764.0621 2092.4430 1922.5271 109.9965 -205647.2370 17625.3111 0.0000 0.0000 34046.1445 -149086.7527 297.3334 -183132.8972 -148991.1152 299.2568 -55.5432 -24.7794 558090.0087 4.6436 4.7573 PRESSURE: 2854200 -4.30146 -150.877 165.939 -150.878 -35.5707 -214.552 165.939 -214.552 -160.5 GPRESSURE: 2854200 82.4892 -140.518 181.567 -73.8278 -0.290131 -173.307 142.512 -246.652 -183.092 PRESSAVG: 2854200 40.645 -32.1182 20.254 -32.1181 -45.8655 -61.6746 20.254 -61.6745 -6.31844 GPRESSAVG: 2854200 40.4636 -30.4891 21.1868 -32.4352 -45.9613 -60.7746 17.6167 -63.9883 -5.92518 TIMING: 2854200 CPU: 8509.7, 0.00295637/step Wall: 8509.7, 0.00295637/step, 1.76216 hours remaining, 207.507812 MB of memory in use. ENERGY: 2854200 755.1281 2084.9697 1928.0769 111.5614 -205839.6278 17598.6134 0.0000 0.0000 34354.3428 -149006.9355 300.0250 -183361.2783 -148912.0145 299.8313 -66.7908 -33.6309 557417.6742 -3.8463 -3.8076 PRESSURE: 2854400 24.627 104.124 -154.938 104.125 -179.886 -127.627 -154.938 -127.627 -134.071 GPRESSURE: 2854400 56.1326 115.722 -131.811 38.8817 -117.641 -147.38 -248.297 -76.8516 -127.476 PRESSAVG: 2854400 28.1514 62.7497 29.097 62.7496 -56.5181 -112.78 29.097 -112.78 30.2032 GPRESSAVG: 2854400 27.6387 59.9312 27.2385 63.2427 -55.2045 -110.363 32.5041 -114.476 29.7997 TIMING: 2854400 CPU: 8510.29, 0.00295253/step Wall: 8510.29, 0.00295253/step, 1.75971 hours remaining, 207.507812 MB of memory in use. ENERGY: 2854400 759.0588 2054.6754 1925.3804 120.7269 -205965.2430 17676.6003 0.0000 0.0000 34644.9395 -148783.8616 302.5629 -183428.8011 -148685.7454 300.3229 -96.4434 -62.9947 557756.7394 0.6122 0.7446 PRESSURE: 2854600 -138.246 -96.1378 26.6226 -96.1381 -249.94 -12.0852 26.6213 -12.0862 -49.3933 GPRESSURE: 2854600 -76.8119 -68.1444 70.8454 -99.1817 -237.068 -101.445 60.9161 34.0044 -30.4459 PRESSAVG: 2854600 -0.771115 -16.8725 -20.4651 -16.8725 1.16974 -7.06837 -20.4651 -7.06835 -10.0108 GPRESSAVG: 2854600 0.155167 -14.7353 -18.5189 -18.9701 -0.390893 -11.263 -21.4818 -2.68783 -9.26857 TIMING: 2854600 CPU: 8510.88, 0.00293985/step Wall: 8510.88, 0.00293985/step, 1.75199 hours remaining, 207.507812 MB of memory in use. ENERGY: 2854600 780.5668 2103.1697 1925.9698 112.8549 -205854.6171 17608.6070 0.0000 0.0000 34648.9473 -148674.5015 302.5979 -183323.4488 -148576.6048 300.9607 -145.8595 -114.7754 557534.5378 -3.2041 -3.1681 PRESSURE: 2854800 -254.18 74.1968 -10.1549 74.1961 226.278 -36.9523 -10.1538 -36.9525 -244.235 GPRESSURE: 2854800 -232.712 -1.46751 60.5514 91.906 253.08 -56.3762 -59.3687 52.7822 -199.675 PRESSAVG: 2854800 -16.9853 -6.44741 12.3761 -6.44734 30.2232 -21.3722 12.3762 -21.3722 -7.48399 GPRESSAVG: 2854800 -17.7078 -5.88345 10.6359 -6.39581 31.0504 -20.478 12.6984 -21.1084 -7.71442 TIMING: 2854800 CPU: 8511.47, 0.00294894/step Wall: 8511.47, 0.00294894/step, 1.75724 hours remaining, 207.507812 MB of memory in use. ENERGY: 2854800 733.8761 2043.9707 1932.6452 109.3814 -205545.9952 17540.3099 0.0000 0.0000 34365.1850 -148820.6268 300.1197 -183185.8118 -148720.8937 300.9110 -90.7123 -59.7692 558608.7427 1.9180 1.8761 PRESSURE: 2855000 -16.5009 -1.92501 -98.3891 -1.92489 51.7064 -92.2014 -98.3897 -92.202 -23.2376 GPRESSURE: 2855000 3.37702 -16.762 -16.3697 -59.2101 74.6057 -87.9524 -47.4367 -95.7479 23.9889 PRESSAVG: 2855000 -67.1171 39.8632 -17.4522 39.8631 79.5813 7.64623 -17.4521 7.64622 -20.0332 GPRESSAVG: 2855000 -65.5048 39.9292 -17.6785 40.1616 79.7182 7.50238 -17.7059 5.97649 -21.3539 TIMING: 2855000 CPU: 8512.07, 0.00298245/step Wall: 8512.07, 0.00298245/step, 1.77704 hours remaining, 207.507812 MB of memory in use. ENERGY: 2855000 778.8950 2097.7794 1916.9413 127.7439 -205667.7807 17675.7113 0.0000 0.0000 34086.1489 -148984.5609 297.6828 -183070.7098 -148889.9908 300.0907 3.9893 33.9905 557297.7834 -2.5230 -2.3801 PRESSURE: 2855200 -36.1504 33.6357 171.263 33.6366 74.399 -169.774 171.264 -169.773 -186.94 GPRESSURE: 2855200 6.26616 69.5894 98.1571 91.0069 132.528 -302.264 205.6 -153.797 -190.101 PRESSAVG: 2855200 23.1275 9.20645 19.8181 9.20652 103.961 -7.95341 19.8181 -7.95343 -82.1973 GPRESSAVG: 2855200 21.9617 9.20358 20.5378 10.1226 103.476 -9.03703 19.7013 -6.63238 -80.591 TIMING: 2855200 CPU: 8512.65, 0.00292749/step Wall: 8512.65, 0.00292749/step, 1.74413 hours remaining, 207.535156 MB of memory in use. ENERGY: 2855200 732.6385 2090.6547 1935.1255 112.2872 -205946.3786 17776.0758 0.0000 0.0000 34258.3108 -149041.2862 299.1863 -183299.5969 -148949.1241 299.4510 -49.5637 -17.1023 557754.6803 14.9636 14.9488 PRESSURE: 2855400 -202.269 -82.2904 66.3441 -82.2905 2.82159 45.728 66.3439 45.7268 -129.257 GPRESSURE: 2855400 -133.755 -97.1144 28.5 -24.1904 -6.80725 4.36389 86.124 133.881 -92.8984 PRESSAVG: 2855400 69.6006 -11.0783 49.9963 -11.0782 -55.977 6.11809 49.9963 6.11818 -3.66384 GPRESSAVG: 2855400 69.7617 -12.0479 49.253 -11.9243 -56.4379 7.03544 48.0239 5.42259 -3.72927 TIMING: 2855400 CPU: 8513.24, 0.00294771/step Wall: 8513.24, 0.00294771/step, 1.75602 hours remaining, 207.535156 MB of memory in use. ENERGY: 2855400 723.9590 2144.4811 1963.7497 105.5255 -206145.1507 17628.8199 0.0000 0.0000 34485.5609 -149093.0546 301.1710 -183578.6154 -148997.0624 299.5199 -109.5679 -77.8203 558589.4960 3.3199 3.1982 PRESSURE: 2855600 -76.1844 80.2075 -60.81 80.2086 -151.244 75.2413 -60.8091 75.2416 12.0205 GPRESSURE: 2855600 -43.4024 24.0712 -133.237 78.6805 -99.2536 175.664 42.0062 37.3828 27.7927 PRESSAVG: 2855600 36.6212 -42.9757 -41.1819 -42.9757 -43.8338 -15.7398 -41.1818 -15.7398 -14.5826 GPRESSAVG: 2855600 36.7298 -43.8434 -42.0501 -43.3772 -43.4799 -13.5048 -38.2806 -16.4888 -14.7525 TIMING: 2855600 CPU: 8513.83, 0.00296004/step Wall: 8513.83, 0.00296004/step, 1.7632 hours remaining, 207.535156 MB of memory in use. ENERGY: 2855600 769.5535 2086.8698 1936.6161 111.9984 -206309.5171 17937.1614 0.0000 0.0000 34509.1258 -148958.1921 301.3768 -183467.3179 -148862.3260 299.9296 -71.8026 -38.2878 559108.1921 -7.2650 -7.1675 PRESSURE: 2855800 -54.6298 -88.8641 34.4406 -88.864 53.1595 38.7237 34.4404 38.724 52.7399 GPRESSURE: 2855800 -23.9197 -18.3218 -13.6851 -209.865 57.4893 -23.37 41.5599 25.9369 118.951 PRESSAVG: 2855800 87.4404 18.2686 -29.0171 18.2686 -7.66521 -37.2518 -29.0171 -37.2518 24.5426 GPRESSAVG: 2855800 86.6693 18.8338 -29.7517 18.7304 -7.45377 -38.5134 -29.3964 -36.4396 24.6445 TIMING: 2855800 CPU: 8514.43, 0.00299239/step Wall: 8514.43, 0.00299239/step, 1.7823 hours remaining, 207.535156 MB of memory in use. ENERGY: 2855800 728.9536 2119.7260 1947.7645 108.8389 -206001.8575 17793.1526 0.0000 0.0000 34533.1994 -148770.2224 301.5870 -183303.4218 -148673.7648 300.9582 17.0899 50.8402 559266.3376 34.7726 34.6200 PRESSURE: 2856000 240.715 -62.3116 193.274 -62.3128 9.60492 -126.903 193.273 -126.904 -0.76799 GPRESSURE: 2856000 327.739 -111.504 104.19 7.8227 17.0166 -107.949 189.645 -192.223 18.8979 PRESSAVG: 2856000 58.7991 4.7959 -1.6295 4.79589 -36.732 -70.5626 -1.62949 -70.5626 -34.744 GPRESSAVG: 2856000 60.0421 5.92228 -1.2521 4.84778 -37.8144 -72.3876 -0.444971 -69.9869 -34.5935 TIMING: 2856000 CPU: 8515.03, 0.00297752/step Wall: 8515.03, 0.00297752/step, 1.77328 hours remaining, 207.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2856000 762.4631 2129.5331 1966.1840 117.9851 -205954.6424 17892.7072 0.0000 0.0000 34308.6317 -148777.1381 299.6258 -183085.7699 -148679.0665 301.4382 83.1841 121.2178 559090.8316 -4.2256 -4.1219 PRESSURE: 2856200 366.668 -25.6708 -3.64416 -25.6707 31.8358 -29.9868 -3.6449 -29.9874 28.7624 GPRESSURE: 2856200 435.695 -5.79273 -63.2392 -34.4789 75.5493 -144.391 14.8447 88.0828 20.1583 PRESSAVG: 2856200 30.6586 -23.2685 34.507 -23.2684 7.46933 -28.9756 34.507 -28.9757 -11.1694 GPRESSAVG: 2856200 29.9898 -25.1541 36.3438 -22.5389 8.7257 -29.7156 33.1898 -29.122 -11.2082 TIMING: 2856200 CPU: 8515.62, 0.0029457/step Wall: 8515.62, 0.0029457/step, 1.75416 hours remaining, 207.535156 MB of memory in use. ENERGY: 2856200 691.4263 2168.3898 1952.7314 118.4964 -206361.4158 18034.6904 0.0000 0.0000 34527.2086 -148868.4728 301.5347 -183395.6815 -148772.3703 299.6557 142.4219 177.1342 559101.9150 8.9862 9.1691 LDB: ============= START OF LOAD BALANCING ============== 8519.16 LDB: ============== END OF LOAD BALANCING =============== 8519.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8519.16 LDB: ============= START OF LOAD BALANCING ============== 8519.46 LDB: Largest compute 4773 load 0.026294 is 22.2% of average load 0.118358 LDB: Average compute 0.001736 is 1.5% of average load 0.118358 LDB: TIME 8519.46 LOAD: AVG 0.118358 MAX 0.200824 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.047 MB LDB: TIME 8519.46 LOAD: AVG 0.118358 MAX 0.200824 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.051 MB LDB: TIME 8519.46 LOAD: AVG 0.118358 MAX 0.200824 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.051 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8519.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8519.47 PRESSURE: 2856400 127.029 -172.402 -4.53188 -172.401 280.135 -25.7754 -4.53264 -25.7766 -36.4913 GPRESSURE: 2856400 190.005 -289.213 52.6272 -128.962 305.122 -96.0214 -109.52 45.0633 -25.5153 PRESSAVG: 2856400 13.5664 -51.797 12.8231 -51.7969 15.4888 -19.3933 12.8231 -19.3933 -56.4183 GPRESSAVG: 2856400 14.4847 -50.1986 13.991 -53.0103 14.0398 -17.3145 11.5341 -20.3953 -55.9685 TIMING: 2856400 CPU: 8516.22, 0.00299911/step Wall: 8516.22, 0.00299911/step, 1.7858 hours remaining, 208.722656 MB of memory in use. ENERGY: 2856400 737.1010 2087.6150 1980.0918 109.9988 -205809.8031 17820.8698 0.0000 0.0000 34301.9773 -148772.1494 299.5677 -183074.1267 -148671.7559 300.8506 123.5577 156.5371 558556.1639 -9.1210 -9.1480 PRESSURE: 2856600 208.945 -78.0979 39.3055 -78.0983 80.7029 -3.32468 39.305 -3.32337 33.2276 GPRESSURE: 2856600 206.357 -125.383 28.7884 -5.75086 166.548 -25.1373 -41.148 43.3784 43.1175 PRESSAVG: 2856600 34.593 -31.5583 -3.02879 -31.5582 10.6377 45.4386 -3.02885 45.4387 -16.765 GPRESSAVG: 2856600 33.9664 -33.2533 -3.13707 -30.2779 11.0816 44.8318 -2.76056 46.9456 -16.3981 TIMING: 2856600 CPU: 8516.81, 0.00296808/step Wall: 8516.81, 0.00296808/step, 1.76716 hours remaining, 208.925781 MB of memory in use. ENERGY: 2856600 748.6224 2101.3981 1931.7257 111.3131 -205703.7790 17765.6416 0.0000 0.0000 34237.6305 -148807.4476 299.0057 -183045.0781 -148707.9653 300.0896 107.6250 138.6741 558220.3968 9.4886 9.5500 PRESSURE: 2856800 -104.159 73.3454 58.7749 73.3448 -176.981 -75.5626 58.7756 -75.561 -70.4401 GPRESSURE: 2856800 -112.21 30.901 67.6423 103.561 -109.245 -116.227 85.2342 -34.1149 -32.8193 PRESSAVG: 2856800 -21.8799 19.2135 -10.6047 19.2135 25.5994 53.8478 -10.6047 53.8478 -15.6843 GPRESSAVG: 2856800 -21.6434 18.7909 -11.9938 20.1854 25.0519 53.9935 -10.4014 52.5185 -15.3621 TIMING: 2856800 CPU: 8517.4, 0.00296186/step Wall: 8517.4, 0.00296186/step, 1.76329 hours remaining, 208.925781 MB of memory in use. ENERGY: 2856800 770.8894 2078.1522 1904.3878 123.1836 -205585.8925 17693.0352 0.0000 0.0000 34193.0800 -148823.1643 298.6167 -183016.2443 -148730.6360 299.7907 -117.1934 -84.7581 559919.2528 -3.9883 -3.9845 PRESSURE: 2857000 12.7591 107.444 160.252 107.443 -194.362 -34.3957 160.252 -34.3956 -209.857 GPRESSURE: 2857000 8.22395 150.191 211.54 103.443 -127.905 -22.1283 87.9078 -57.291 -170.236 PRESSAVG: 2857000 59.7579 -3.6375 11.4041 -3.63742 -44.7856 68.0421 11.4041 68.0421 -25.4714 GPRESSAVG: 2857000 58.895 -1.55587 12.1284 -4.88484 -44.8744 68.0961 12.6046 68.0832 -24.4147 TIMING: 2857000 CPU: 8517.99, 0.00295649/step Wall: 8517.99, 0.00295649/step, 1.75993 hours remaining, 208.925781 MB of memory in use. ENERGY: 2857000 795.4730 2151.1859 1957.0060 117.9963 -205665.2857 17564.9052 0.0000 0.0000 34241.3404 -148837.3789 299.0381 -183078.7193 -148740.8586 300.2089 -130.4868 -96.6388 559434.0506 -3.4997 -3.4647 PRESSURE: 2857200 -85.0592 -166.19 11.9822 -166.19 -84.3216 50.4175 11.9796 50.419 -68.4346 GPRESSURE: 2857200 -62.2242 -76.0505 68.7672 -245.605 -5.01404 -77.3696 -66.9582 89.8777 -60.2142 PRESSAVG: 2857200 13.5063 -42.4351 17.8331 -42.435 -17.9322 52.3833 17.8332 52.3834 10.7158 GPRESSAVG: 2857200 13.5079 -42.9603 16.5862 -42.6 -16.9332 52.1404 16.953 53.2088 9.77574 TIMING: 2857200 CPU: 8518.59, 0.00297939/step Wall: 8518.59, 0.00297939/step, 1.7734 hours remaining, 208.925781 MB of memory in use. ENERGY: 2857200 769.4880 2117.1097 1919.9160 116.3170 -205573.5210 17557.3310 0.0000 0.0000 34303.7350 -148789.6243 299.5830 -183093.3593 -148691.7237 299.5165 -79.2718 -42.4842 559563.1816 2.0966 2.1168 PRESSURE: 2857400 92.4585 8.63636 -117.599 8.63685 -132.702 -52.2113 -117.599 -52.2118 -228.875 GPRESSURE: 2857400 104.658 17.2828 -95.2855 9.48075 -86.8673 -127.388 -127.23 15.0239 -197.08 PRESSAVG: 2857400 -25.2132 -57.2965 -24.8631 -57.2966 -2.58199 14.8257 -24.8631 14.8257 19.1606 GPRESSAVG: 2857400 -25.1373 -58.7398 -24.0154 -57.5357 -2.0792 15.2969 -26.9992 13.7802 18.566 TIMING: 2857400 CPU: 8519.18, 0.00297125/step Wall: 8519.18, 0.00297125/step, 1.76839 hours remaining, 208.925781 MB of memory in use. ENERGY: 2857400 717.8725 2061.6866 1934.0802 107.3305 -205706.2716 17493.9533 0.0000 0.0000 34349.2606 -149042.0879 299.9806 -183391.3485 -148938.2992 300.2064 -89.7062 -59.7631 559128.9305 -2.8782 -2.8835 PRESSURE: 2857600 -53.1568 -45.5746 62.2901 -45.5758 -220.44 -130.699 62.2882 -130.699 -127.258 GPRESSURE: 2857600 -49.0636 36.6153 12.5414 -11.5289 -167 -169.563 98.3565 -131.805 -83.9027 PRESSAVG: 2857600 -2.00188 10.1032 -14.4637 10.1031 -13.7596 -35.2552 -14.4637 -35.2552 -3.86503 GPRESSAVG: 2857600 -2.15487 11.318 -15.7498 9.97371 -14.1068 -34.1447 -13.3234 -35.7634 -3.5267 TIMING: 2857600 CPU: 8519.78, 0.00296094/step Wall: 8519.78, 0.00296094/step, 1.76209 hours remaining, 208.925781 MB of memory in use. ENERGY: 2857600 778.3601 2028.8465 1910.4970 106.2584 -205838.3738 17444.6342 0.0000 0.0000 34544.0695 -149025.7081 301.6820 -183569.7775 -148923.4751 300.0318 -133.6183 -99.9887 556848.7580 -6.5422 -6.5961 PRESSURE: 2857800 -17.7148 75.0205 22.7145 75.0211 13.0473 -18.9358 22.7142 -18.936 100.632 GPRESSURE: 2857800 -6.44963 114.342 43.529 114.178 54.0847 23.8806 14.1676 -48.1824 145.721 PRESSAVG: 2857800 9.61649 -11.3135 -21.0574 -11.3136 -18.7763 -1.87453 -21.0573 -1.87438 13.6797 GPRESSAVG: 2857800 9.43243 -10.8626 -17.6257 -11.4902 -18.2442 -1.43993 -20.4192 -1.09123 12.6645 TIMING: 2857800 CPU: 8520.37, 0.00297262/step Wall: 8520.37, 0.00297262/step, 1.76887 hours remaining, 209.050781 MB of memory in use. ENERGY: 2857800 716.5917 2083.4088 1940.6627 119.1883 -205951.1441 17783.0614 0.0000 0.0000 34455.8782 -148852.3530 300.9118 -183308.2312 -148753.5898 301.0278 31.9883 64.4519 557242.4752 1.5066 1.2842 PRESSURE: 2858000 -30.5646 132.769 -35.8522 132.77 -44.356 88.6237 -35.8526 88.6238 19.3693 GPRESSURE: 2858000 33.6693 111.946 40.922 118.098 -70.3106 106.094 -68.4439 -8.79076 76.1879 PRESSAVG: 2858000 -26.4144 -25.6299 2.41721 -25.6299 10.698 9.14552 2.41721 9.14551 -13.7154 GPRESSAVG: 2858000 -25.9781 -26.2438 0.539877 -24.8705 11.0358 8.49776 0.989133 8.16116 -14.7749 TIMING: 2858000 CPU: 8520.96, 0.00295715/step Wall: 8520.96, 0.00295715/step, 1.75951 hours remaining, 209.117188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2858000 723.2544 2111.9530 1925.3016 106.4321 -205956.3687 17741.1485 0.0000 0.0000 34454.8755 -148893.4036 300.9030 -183348.2792 -148800.8181 300.8708 -18.5171 13.1822 557021.9747 -9.8106 -9.9058 PRESSURE: 2858200 -223.836 84.4236 82.3556 84.4226 -152.257 -50.3491 82.3563 -50.3486 -197.71 GPRESSURE: 2858200 -156.659 172.084 45.0549 55.6239 -127.564 2.15898 157.93 -73.0334 -191.04 PRESSAVG: 2858200 -52.2208 1.46273 35.1698 1.46283 20.3031 36.2971 35.1698 36.2971 60.5265 GPRESSAVG: 2858200 -52.4311 0.907698 34.6142 1.13169 19.1935 37.1765 36.4508 36.4429 62.3282 TIMING: 2858200 CPU: 8521.55, 0.00295859/step Wall: 8521.55, 0.00295859/step, 1.7602 hours remaining, 209.117188 MB of memory in use. ENERGY: 2858200 771.8536 2108.9183 1939.4454 106.3699 -205588.7878 17345.3997 0.0000 0.0000 34286.7600 -149030.0408 299.4348 -183316.8008 -148928.3426 300.4840 -191.2675 -158.4211 557457.1551 9.5363 9.6969 PRESSURE: 2858400 34.7215 194.308 -69.9235 194.308 -110.198 127.071 -69.9233 127.071 268.627 GPRESSURE: 2858400 72.3882 62.6572 -15.7348 237.864 -53.7927 150.678 -40.8197 137.506 266.473 PRESSAVG: 2858400 66.7705 -12.4186 89.8202 -12.4186 -27.0563 -15.7227 89.8202 -15.7228 -21.5232 GPRESSAVG: 2858400 66.5897 -13.3112 89.8909 -12.6807 -26.6637 -18.4031 89.7912 -15.2529 -21.1581 TIMING: 2858400 CPU: 8522.15, 0.00296496/step Wall: 8522.15, 0.00296496/step, 1.76382 hours remaining, 209.117188 MB of memory in use. ENERGY: 2858400 734.8111 2102.0758 1965.2146 117.1128 -206067.7189 17859.8453 0.0000 0.0000 34378.3054 -148910.3540 300.2343 -183288.6593 -148818.9536 299.4173 64.3835 95.0229 557353.3970 6.0637 6.2560 PRESSURE: 2858600 -155.753 -27.4311 49.0521 -27.4318 -126.039 132.364 49.0516 132.363 -217.96 GPRESSURE: 2858600 -152.788 14.9571 75.1952 -37.2595 -106.273 64.3865 54.6114 153.144 -142.54 PRESSAVG: 2858600 -10.1423 44.0653 1.41503 44.0652 -47.3863 -47.6838 1.4151 -47.6838 79.9143 GPRESSAVG: 2858600 -10.3826 44.2985 2.0649 43.1429 -47.0134 -46.1453 2.22541 -48.6935 79.7801 TIMING: 2858600 CPU: 8522.74, 0.00297825/step Wall: 8522.74, 0.00297825/step, 1.77156 hours remaining, 209.117188 MB of memory in use. ENERGY: 2858600 781.6302 2074.7032 1921.6218 105.2374 -205558.7788 17367.0135 0.0000 0.0000 34394.9195 -148913.6534 300.3794 -183308.5729 -148813.5728 300.2646 -166.5839 -133.8669 557135.9510 7.4619 7.4614 PRESSURE: 2858800 -9.85445 -198.648 -79.1251 -198.649 -58.1357 -33.1358 -79.1264 -33.1355 118.085 GPRESSURE: 2858800 22.6384 -192.586 -90.5235 -137.306 -65.7425 -30.0041 -81.1878 -5.46199 194.054 PRESSAVG: 2858800 3.85951 -17.499 22.4199 -17.499 -27.1618 -15.8379 22.4198 -15.838 47.0848 GPRESSAVG: 2858800 3.74318 -14.4415 21.5644 -16.2154 -26.4129 -17.1389 22.3731 -13.6546 46.7779 TIMING: 2858800 CPU: 8523.33, 0.00294747/step Wall: 8523.33, 0.00294747/step, 1.75309 hours remaining, 209.117188 MB of memory in use. ENERGY: 2858800 739.5189 2102.7483 1937.0412 126.5674 -205765.9635 17612.1356 0.0000 0.0000 34399.4225 -148848.5296 300.4187 -183247.9521 -148742.0296 299.7581 16.6983 50.3168 557285.1049 7.9275 8.0361 PRESSURE: 2859000 -4.7632 -49.4078 180.885 -49.4068 108.322 -113.399 180.885 -113.399 -7.66947 GPRESSURE: 2859000 29.1836 -87.5761 201.38 -36.5316 97.3708 21.0743 190.735 -167.331 54.6918 PRESSAVG: 2859000 -15.1439 59.5994 2.46802 59.5994 52.4042 -19.1041 2.46797 -19.1041 -26.5171 GPRESSAVG: 2859000 -14.3994 58.6469 4.28003 58.3367 50.7001 -17.8948 1.13499 -22.5071 -25.7301 TIMING: 2859000 CPU: 8523.92, 0.00294681/step Wall: 8523.92, 0.00294681/step, 1.75253 hours remaining, 209.117188 MB of memory in use. ENERGY: 2859000 762.9754 2138.3305 1931.0205 117.1374 -206001.1983 17735.9314 0.0000 0.0000 34311.8605 -149003.9426 299.6540 -183315.8031 -148917.0163 300.1603 31.9631 60.4154 557384.2982 3.5811 3.5235 PRESSURE: 2859200 19.5652 93.4443 -147.695 93.4448 -297.179 56.1218 -147.693 56.1198 367.971 GPRESSURE: 2859200 79.3952 96.8804 -120.91 63.4601 -277.598 109.104 -47.4776 -26.0284 398.334 PRESSAVG: 2859200 -25.7244 79.2162 -1.28902 79.2162 -37.0745 30.5936 -1.28907 30.5937 76.6034 GPRESSAVG: 2859200 -26.7498 78.1162 -3.15181 80.0289 -35.763 31.6104 0.611855 32.4979 76.5468 TIMING: 2859200 CPU: 8524.51, 0.00294404/step Wall: 8524.51, 0.00294404/step, 1.75072 hours remaining, 209.117188 MB of memory in use. ENERGY: 2859200 740.2676 2085.9641 1975.1889 104.8180 -206192.9435 17843.5156 0.0000 0.0000 34353.0130 -149090.1764 300.0134 -183443.1894 -148991.7423 299.5600 30.1192 66.7103 557388.5634 4.6015 4.6780 PRESSURE: 2859400 17.1737 224.443 -129.21 224.442 -79.2218 -49.4691 -129.209 -49.469 92.3654 GPRESSURE: 2859400 75.3386 201.648 -69.6269 238.725 -49.2068 -1.75834 -174.792 -76.2906 105.073 PRESSAVG: 2859400 -19.9048 42.1353 -13.1014 42.1352 -26.1147 -31.8949 -13.1013 -31.895 37.06 GPRESSAVG: 2859400 -19.0453 42.8498 -12.9432 41.9412 -26.611 -32.9495 -12.9354 -30.4312 37.0275 TIMING: 2859400 CPU: 8525.1, 0.00293007/step Wall: 8525.1, 0.00293007/step, 1.74225 hours remaining, 209.117188 MB of memory in use. ENERGY: 2859400 760.6358 2076.4728 1936.8545 124.9316 -205977.7476 17786.7462 0.0000 0.0000 34214.2401 -149077.8665 298.8015 -183292.1066 -148978.3644 299.2075 10.1057 43.7351 557665.4399 -2.9865 -2.8763 PRESSURE: 2859600 -47.1627 -63.0927 33.116 -63.091 99.2415 41.2416 33.1167 41.2412 90.2469 GPRESSURE: 2859600 -18.5964 16.6813 80.8028 -140.598 131.725 -19.2773 0.658896 -35.3752 127.578 PRESSAVG: 2859600 -82.2165 31.9612 7.60422 31.9613 16.1296 -22.4373 7.60419 -22.4371 47.6831 GPRESSAVG: 2859600 -81.6206 33.8351 7.64109 31.59 16.2178 -20.981 7.51078 -25.7726 47.4651 TIMING: 2859600 CPU: 8525.68, 0.00293495/step Wall: 8525.68, 0.00293495/step, 1.74499 hours remaining, 209.117188 MB of memory in use. ENERGY: 2859600 783.4277 2034.8559 1902.9393 113.3237 -206087.0978 17904.8501 0.0000 0.0000 34440.5795 -148907.1217 300.7781 -183347.7012 -148809.0078 299.8041 47.4419 80.2354 556812.9456 -6.1346 -5.9793 PRESSURE: 2859800 -126.837 12.4238 -116.387 12.4228 -167.216 -105.775 -116.388 -105.774 -154.645 GPRESSURE: 2859800 -109.126 13.3801 -53.866 30.2281 -119.891 -136.03 -118.755 -49.3743 -125.301 PRESSAVG: 2859800 -54.1574 37.3413 -40.1473 37.3413 32.7491 -19.1266 -40.1473 -19.1265 40.8674 GPRESSAVG: 2859800 -53.6466 35.5086 -40.2535 38.9241 32.2512 -20.3781 -40.08 -17.5002 41.1762 TIMING: 2859800 CPU: 8526.27, 0.00292043/step Wall: 8526.27, 0.00292043/step, 1.73619 hours remaining, 209.117188 MB of memory in use. ENERGY: 2859800 755.3844 2080.7248 1957.4015 109.1013 -205585.0361 17340.1539 0.0000 0.0000 34334.3955 -149007.8747 299.8508 -183342.2702 -148902.0871 300.1511 -149.5660 -118.1060 557088.2527 6.4864 6.5936 PRESSURE: 2860000 -259.762 -66.2014 1.01574 -66.2028 -39.11 -11.934 1.01484 -11.9326 -168.901 GPRESSURE: 2860000 -227.597 -78.2329 53.0646 -182.427 -11.7732 44.8655 -28.1302 -108.158 -124.042 PRESSAVG: 2860000 -9.01258 27.5143 -17.1932 27.5143 -15.6434 41.8131 -17.1931 41.8132 42.673 GPRESSAVG: 2860000 -10.0436 27.1791 -16.0951 25.6671 -15.9742 39.517 -18.2687 44.1499 43.358 TIMING: 2860000 CPU: 8526.86, 0.00294794/step Wall: 8526.86, 0.00294794/step, 1.75239 hours remaining, 209.117188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2860000 753.7426 2110.4566 1913.0518 117.6865 -205923.2457 17508.2342 0.0000 0.0000 34445.7325 -149074.3415 300.8231 -183520.0740 -148980.8051 300.0340 -155.9244 -121.1372 556835.0471 6.0057 5.7801 PRESSURE: 2860200 -82.7864 -14.0474 -12.6342 -14.0473 169.005 -38.2109 -12.6338 -38.2103 -83.6205 GPRESSURE: 2860200 -29.4367 22.4157 -0.249467 -2.53435 225.937 -33.9991 45.265 -108.884 -94.129 PRESSAVG: 2860200 -50.2309 -16.7451 -62.8785 -16.7451 20.8838 19.95 -62.8784 19.95 17.3505 GPRESSAVG: 2860200 -49.796 -15.4017 -62.9071 -17.1308 20.2955 23.2134 -61.1147 18.16 17.5901 TIMING: 2860200 CPU: 8527.45, 0.00296025/step Wall: 8527.45, 0.00296025/step, 1.75954 hours remaining, 209.117188 MB of memory in use. ENERGY: 2860200 767.3355 2118.7523 1907.4633 110.3796 -206173.5545 17853.3484 0.0000 0.0000 34302.2827 -149113.9927 299.5704 -183416.2754 -149021.0731 299.6859 0.8659 34.1237 556356.9030 -3.9989 -3.9702 LDB: ============= START OF LOAD BALANCING ============== 8530.99 LDB: ============== END OF LOAD BALANCING =============== 8530.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8530.99 LDB: ============= START OF LOAD BALANCING ============== 8531.29 LDB: Largest compute 4773 load 0.026777 is 22.7% of average load 0.118214 LDB: Average compute 0.001739 is 1.5% of average load 0.118214 LDB: TIME 8531.29 LOAD: AVG 0.118214 MAX 0.200182 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 8531.29 LOAD: AVG 0.118214 MAX 0.200182 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.738 MB LDB: TIME 8531.29 LOAD: AVG 0.118214 MAX 0.200182 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.738 MB LDB: ============== END OF LOAD BALANCING =============== 8531.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8531.3 PRESSURE: 2860400 -77.7162 -80.1048 151.571 -80.1054 -108.362 -124.702 151.57 -124.703 105.458 GPRESSURE: 2860400 -64.6695 40.5544 231.624 -48.4947 -24.6556 -88.9939 82.7852 -102.719 115.505 PRESSAVG: 2860400 -10.9106 62.9397 -16.9194 62.9396 -10.741 24.5985 -16.9193 24.5986 -0.0222676 GPRESSAVG: 2860400 -10.2519 61.1645 -20.1578 63.8854 -10.7983 24.3306 -16.4865 25.1411 -0.881393 TIMING: 2860400 CPU: 8528.05, 0.00300514/step Wall: 8528.05, 0.00300514/step, 1.78606 hours remaining, 207.246094 MB of memory in use. ENERGY: 2860400 745.9844 2034.2512 1937.7039 106.8151 -205786.0347 17612.1515 0.0000 0.0000 34301.3540 -149047.7746 299.5623 -183349.1286 -148945.3364 299.6570 -26.8731 8.7267 557888.0277 -7.2246 -7.3105 PRESSURE: 2860600 -39.3161 64.1489 -5.72955 64.1485 -28.4287 -33.8863 -5.72953 -33.8857 -104.892 GPRESSURE: 2860600 -65.6519 88.1516 -15.1889 71.1516 54.2304 -71.8224 -24.6192 -39.869 -62.1439 PRESSAVG: 2860600 -2.9054 -12.1845 -19.9968 -12.1845 -6.84932 40.7992 -19.9967 40.7992 3.77307 GPRESSAVG: 2860600 -4.43938 -11.8253 -17.0745 -11.3817 -6.28718 42.156 -21.6804 38.4297 4.53033 TIMING: 2860600 CPU: 8528.64, 0.00294464/step Wall: 8528.64, 0.00294464/step, 1.74994 hours remaining, 207.246094 MB of memory in use. ENERGY: 2860600 713.2651 2063.4075 1963.4085 115.2390 -205741.7044 17480.3332 0.0000 0.0000 34395.3866 -149010.6645 300.3835 -183406.0511 -148922.4810 299.6285 -57.5457 -24.5218 557608.9532 -1.9939 -2.0654 PRESSURE: 2860800 -39.1909 -135.299 -161.473 -135.3 -32.3813 22.9689 -161.473 22.9697 3.22849 GPRESSURE: 2860800 -20.2978 -112.846 -189.851 -114.752 0.259296 45.511 -125.069 11.181 36.6891 PRESSAVG: 2860800 -60.2577 9.34389 -42.8709 9.34384 45.7271 -38.6416 -42.871 -38.6416 4.86469 GPRESSAVG: 2860800 -59.6805 10.9468 -44.2742 8.12017 46.0595 -40.6488 -42.3068 -35.8778 4.08041 TIMING: 2860800 CPU: 8529.23, 0.0029529/step Wall: 8529.23, 0.0029529/step, 1.75468 hours remaining, 207.246094 MB of memory in use. ENERGY: 2860800 716.7201 2054.7855 1952.4410 102.0689 -205747.2001 17684.4780 0.0000 0.0000 34161.9495 -149074.7570 298.3448 -183236.7065 -148981.6966 299.3585 -22.7812 5.5502 556797.2217 -3.2220 -3.1802 PRESSURE: 2861000 -213.224 -55.4975 -59.0378 -55.497 9.78327 34.6012 -59.0378 34.6002 -43.1924 GPRESSURE: 2861000 -126.731 -52.3611 4.18676 -15.9755 -35.3441 66.4545 -37.8989 -5.17076 15.7766 PRESSAVG: 2861000 6.12529 12.525 -23.3081 12.525 57.1419 -45.8486 -23.3082 -45.8487 -41.2964 GPRESSAVG: 2861000 6.43887 11.969 -23.0419 12.1711 56.7076 -45.7449 -22.6296 -46.2179 -40.8828 TIMING: 2861000 CPU: 8529.83, 0.00297717/step Wall: 8529.83, 0.00297717/step, 1.76894 hours remaining, 207.246094 MB of memory in use. ENERGY: 2861000 732.9601 2094.2556 1924.3835 109.4252 -205775.2596 17551.5836 0.0000 0.0000 34308.9288 -149053.7227 299.6284 -183362.6516 -148955.9348 299.8650 -82.2110 -48.7663 557014.4978 7.3236 7.4212 PRESSURE: 2861200 -1.29638 3.94456 -85.0571 3.94536 -56.025 -73.8608 -85.057 -73.8612 -309.61 GPRESSURE: 2861200 37.105 73.7544 -98.0568 0.46347 -52.5027 -67.7234 -66.3206 -26.5118 -261.644 PRESSAVG: 2861200 7.54437 -11.603 33.9886 -11.603 -14.8661 -23.8911 33.9886 -23.8911 27.7003 GPRESSAVG: 2861200 7.0324 -11.5125 37.4408 -12.7478 -15.366 -23.8196 32.0755 -24.3748 28.7922 TIMING: 2861200 CPU: 8530.41, 0.00293846/step Wall: 8530.41, 0.00293846/step, 1.74577 hours remaining, 207.246094 MB of memory in use. ENERGY: 2861200 777.7264 2124.2620 1925.3226 119.6604 -206156.8467 17726.2787 0.0000 0.0000 34403.4827 -149080.1138 300.4542 -183483.5965 -148984.1397 300.3066 -122.3103 -92.3471 558218.8566 6.7928 6.8195 PRESSURE: 2861400 86.7836 126.153 -123.572 126.155 160.901 66.9741 -123.572 66.9745 233.89 GPRESSURE: 2861400 123.088 110.235 -143.371 36.5952 179.178 115.073 -87.56 80.0766 268.382 PRESSAVG: 2861400 2.98532 -22.135 -11.1769 -22.135 -8.20658 -48.4065 -11.1768 -48.4065 24.5533 GPRESSAVG: 2861400 2.69652 -23.023 -13.6223 -19.5313 -6.99569 -48.8918 -12.4338 -49.4104 23.3208 TIMING: 2861400 CPU: 8531.01, 0.0029833/step Wall: 8531.01, 0.0029833/step, 1.77224 hours remaining, 207.246094 MB of memory in use. ENERGY: 2861400 748.0822 2110.0893 1943.9046 126.8418 -206542.3328 18162.0668 0.0000 0.0000 34224.1375 -149227.2106 298.8879 -183451.3482 -149136.0463 299.4912 160.5247 190.2162 557586.2417 6.4440 6.3406 PRESSURE: 2861600 -151.19 135.992 -90.2663 135.992 -52.9257 50.5318 -90.2653 50.532 108.662 GPRESSURE: 2861600 -53.8461 179.633 -85.092 63.1188 41.1324 15.0177 -34.9626 24.2761 17.7503 PRESSAVG: 2861600 -14.8421 30.7994 23.0354 30.7993 -8.58849 1.2957 23.0354 1.29562 14.9773 GPRESSAVG: 2861600 -16.407 30.1944 22.7421 29.8399 -8.45843 1.84397 26.9196 0.879055 15.6495 TIMING: 2861600 CPU: 8531.6, 0.00297043/step Wall: 8531.6, 0.00297043/step, 1.76444 hours remaining, 207.246094 MB of memory in use. ENERGY: 2861600 702.8593 2096.5952 1938.7299 124.5716 -206099.0962 17863.4799 0.0000 0.0000 34243.4154 -149129.4450 299.0563 -183372.8604 -149025.1954 298.7352 -31.8179 1.6789 557991.7674 -2.8178 -3.0720 PRESSURE: 2861800 -48.3426 146.085 -59.0292 146.084 -242.236 73.5597 -59.0288 73.5583 95.7479 GPRESSURE: 2861800 -11.7253 74.9911 -113.253 205.75 -170.395 23.8526 -25.8314 157.323 82.2064 PRESSAVG: 2861800 13.3428 -6.17638 -23.7909 -6.17635 -28.4116 49.7178 -23.7909 49.7179 31.4214 GPRESSAVG: 2861800 13.6281 -5.73888 -22.9135 -5.63494 -28.6053 49.0366 -25.6604 50.9969 31.8109 TIMING: 2861800 CPU: 8532.19, 0.00294895/step Wall: 8532.19, 0.00294895/step, 1.75151 hours remaining, 207.246094 MB of memory in use. ENERGY: 2861800 783.1405 2083.3061 1926.4676 123.1488 -206072.4481 17741.9395 0.0000 0.0000 34469.1028 -148945.3427 301.0272 -183414.4456 -148841.5115 299.2022 -64.9435 -33.3045 558015.4390 5.4509 5.6112 PRESSURE: 2862000 -173.906 94.4281 231.324 94.4274 7.99292 71.8 231.326 71.7992 98.7822 GPRESSURE: 2862000 -124.361 147.867 306.974 41.1712 14.5906 83.7389 189.891 68.4519 138.05 PRESSAVG: 2862000 -0.723226 30.0698 -6.57988 30.0697 22.3665 -49.9208 -6.57992 -49.9208 -58.6274 GPRESSAVG: 2862000 0.597374 31.1224 -8.01069 28.3499 21.3442 -50.3198 -6.11953 -48.8076 -58.8453 TIMING: 2862000 CPU: 8532.78, 0.00294706/step Wall: 8532.78, 0.00294706/step, 1.75022 hours remaining, 207.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2862000 762.0438 2065.7684 1935.9822 128.3798 -205539.3283 17546.9277 0.0000 0.0000 34395.3052 -148704.9213 300.3828 -183100.2265 -148611.7639 301.0283 -22.3768 9.4264 557826.5198 -12.3280 -12.3013 PRESSURE: 2862200 234.485 85.6832 -80.9495 85.6829 91.4686 140.672 -80.9508 140.673 -44.013 GPRESSURE: 2862200 310.127 124.249 -103.644 23.3241 129.194 87.5687 -58.8638 141.727 -70.1215 PRESSAVG: 2862200 45.5722 18.3545 -25.0088 18.3546 -57.7975 18.373 -25.0088 18.3731 -4.0351 GPRESSAVG: 2862200 45.0572 17.1079 -24.8952 20.0946 -57.3015 18.1705 -24.5544 17.5631 -3.96948 TIMING: 2862200 CPU: 8533.37, 0.00295232/step Wall: 8533.37, 0.00295232/step, 1.75318 hours remaining, 207.304688 MB of memory in use. ENERGY: 2862200 737.1626 2040.9702 1926.7805 113.3667 -205981.9071 17867.2395 0.0000 0.0000 34386.6946 -148909.6931 300.3076 -183296.3876 -148811.0905 300.8751 93.9801 123.0666 557572.6699 -5.4201 -5.4046 PRESSURE: 2862400 234.786 39.4381 31.3431 39.4387 -70.5679 -134.038 31.3426 -134.039 139.239 GPRESSURE: 2862400 261.91 96.6569 25.3486 8.30248 -62.9143 -227.794 18.258 -19.8092 192.099 PRESSAVG: 2862400 110.858 22.6616 -39.2113 22.6617 -30.4305 29.2663 -39.2114 29.2663 -12.0386 GPRESSAVG: 2862400 111.295 23.3312 -37.1612 21.0687 -30.0986 29.1022 -40.073 29.9188 -12.6111 TIMING: 2862400 CPU: 8533.96, 0.00293954/step Wall: 8533.96, 0.00293954/step, 1.74543 hours remaining, 207.304688 MB of memory in use. ENERGY: 2862400 737.4119 2114.1094 1931.3927 110.3158 -206382.1013 18076.3734 0.0000 0.0000 34541.1344 -148871.3636 301.6563 -183412.4981 -148775.1084 300.0664 101.1524 130.3647 556576.3959 22.7964 22.8616 PRESSURE: 2862600 6.8893 54.7072 8.45167 54.7079 -62.2519 71.8528 8.45202 71.8512 -91.0248 GPRESSURE: 2862600 5.53375 48.0999 6.58834 58.4099 1.60059 -9.34697 -10.166 18.1945 -59.4386 PRESSAVG: 2862600 -26.885 9.96335 25.1868 9.96334 15.0658 -27.2806 25.1867 -27.2805 -4.30052 GPRESSAVG: 2862600 -27.7453 10.2021 22.9139 9.81406 14.9812 -23.6969 25.3185 -29.2107 -3.80757 TIMING: 2862600 CPU: 8534.55, 0.00296698/step Wall: 8534.55, 0.00296698/step, 1.76156 hours remaining, 207.304688 MB of memory in use. ENERGY: 2862600 743.3256 2118.3363 1922.9026 114.2822 -206016.1728 17749.9215 0.0000 0.0000 34557.4906 -148809.9141 301.7992 -183367.4047 -148711.2636 300.9178 -48.7958 -17.4348 557380.8401 -5.3732 -5.5239 PRESSURE: 2862800 -201.648 -82.4409 -39.4184 -82.4416 129.528 47.6167 -39.4174 47.6163 129.022 GPRESSURE: 2862800 -133.156 -92.0893 -32.89 -62.031 168.018 150.359 13.6099 13.8381 122.566 PRESSAVG: 2862800 -43.3003 14.8843 12.9836 14.8843 31.4757 -26.5215 12.9835 -26.5214 59.3444 GPRESSAVG: 2862800 -41.9697 13.4872 14.1666 16.6723 30.2687 -29.6954 12.7311 -25.8179 58.9068 TIMING: 2862800 CPU: 8535.15, 0.00297565/step Wall: 8535.15, 0.00297565/step, 1.76655 hours remaining, 207.304688 MB of memory in use. ENERGY: 2862800 785.6810 2051.5405 1914.9770 110.2794 -206078.6627 17940.7035 0.0000 0.0000 34440.1973 -148835.2840 300.7748 -183275.4814 -148737.9573 300.9542 18.9674 52.4760 557387.7938 15.8399 15.7353 PRESSURE: 2863000 -50.1721 144.854 28.8332 144.854 -85.8566 -72.9237 28.8322 -72.9244 -455.064 GPRESSURE: 2863000 41.2758 176.24 50.5035 147.611 -55.1627 -25.7858 32.5881 -1.3057 -460.899 PRESSAVG: 2863000 -29.0847 35.3356 21.3529 35.3356 29.2862 40.7604 21.3529 40.7604 24.0635 GPRESSAVG: 2863000 -30.339 37.3336 21.6658 34.7905 30.2206 42.1097 22.4413 41.2929 24.1049 TIMING: 2863000 CPU: 8535.75, 0.00297863/step Wall: 8535.75, 0.00297863/step, 1.76815 hours remaining, 207.304688 MB of memory in use. ENERGY: 2863000 807.4687 2083.6380 1920.2678 133.1026 -205667.8569 17546.4817 0.0000 0.0000 34301.5619 -148875.3363 299.5641 -183176.8982 -148777.1051 300.2844 -197.0309 -158.2619 558136.9265 8.0884 7.9955 PRESSURE: 2863200 -123.715 94.1568 19.016 94.1559 -328.825 143.549 19.0167 143.549 -102.203 GPRESSURE: 2863200 -81.1699 20.2662 -82.6657 73.4605 -294.916 187.364 49.3024 106.325 -86.4487 PRESSAVG: 2863200 -19.5305 -1.8443 19.0455 -1.84424 -26.0011 48.4052 19.0457 48.4053 12.2384 GPRESSAVG: 2863200 -19.0809 -1.23779 20.2245 -2.79025 -27.5144 48.1274 17.1264 47.3378 13.4735 TIMING: 2863200 CPU: 8536.34, 0.00296144/step Wall: 8536.34, 0.00296144/step, 1.75778 hours remaining, 207.304688 MB of memory in use. ENERGY: 2863200 756.0554 2103.2892 1932.1079 116.7785 -205642.4997 17505.1296 0.0000 0.0000 34261.3918 -148967.7474 299.2133 -183229.1391 -148865.6388 299.6557 -184.9145 -154.1782 558187.9218 -11.0977 -11.0406 PRESSURE: 2863400 63.9042 169.371 -73.2148 169.37 -81.5437 -1.69327 -73.2158 -1.69332 -41.7888 GPRESSURE: 2863400 65.6383 139.987 -158.078 181.209 -24.6148 -18.9701 -69.0994 -5.42649 4.01618 PRESSAVG: 2863400 61.2597 -7.08751 62.9373 -7.08753 17.8368 5.58962 62.9373 5.5897 -25.9232 GPRESSAVG: 2863400 59.9967 -7.20453 59.5096 -6.30518 19.8014 6.46291 64.5454 5.26807 -26.6683 TIMING: 2863400 CPU: 8536.93, 0.00295665/step Wall: 8536.93, 0.00295665/step, 1.75477 hours remaining, 207.332031 MB of memory in use. ENERGY: 2863400 740.8874 2100.8193 1936.9382 110.0846 -205959.8976 17789.9607 0.0000 0.0000 34407.9099 -148873.2975 300.4928 -183281.2074 -148775.9536 300.6270 -19.8094 15.0132 557613.6875 17.7244 17.7099 PRESSURE: 2863600 146.04 66.9191 30.8561 66.9192 297.114 -86.1897 30.8573 -86.1888 -34.4157 GPRESSURE: 2863600 227.932 158.964 54.9398 45.7893 331.603 -103.364 -3.93276 -65.7568 -60.2617 PRESSAVG: 2863600 77.9667 5.5886 8.25139 5.58851 -73.8353 2.84171 8.25132 2.84181 -15.9364 GPRESSAVG: 2863600 77.8321 5.17607 12.463 5.05712 -74.7731 0.552552 8.26182 4.79946 -14.9183 TIMING: 2863600 CPU: 8537.52, 0.00296215/step Wall: 8537.52, 0.00296215/step, 1.75787 hours remaining, 207.332031 MB of memory in use. ENERGY: 2863600 735.7683 2098.3457 1928.2972 117.6561 -206254.5776 17904.5731 0.0000 0.0000 34383.2679 -149086.6693 300.2776 -183469.9372 -148989.2290 300.2487 136.2461 166.4241 556878.9189 -3.9350 -3.9531 PRESSURE: 2863800 -48.6077 86.1644 38.2118 86.1645 -56.7402 61.2697 38.2124 61.2705 153.751 GPRESSURE: 2863800 -17.1084 48.2969 7.08248 138.149 -8.44934 -80.9048 11.6021 93.8166 173.384 PRESSAVG: 2863800 -7.31108 -5.55625 -3.4436 -5.5563 3.62245 -6.56505 -3.44362 -6.56512 -7.22371 GPRESSAVG: 2863800 -6.95414 -8.20423 -4.72165 -3.61386 3.98043 -4.77961 -4.72204 -8.91565 -7.88604 TIMING: 2863800 CPU: 8538.12, 0.0029743/step Wall: 8538.12, 0.0029743/step, 1.76491 hours remaining, 207.332031 MB of memory in use. ENERGY: 2863800 757.9947 2090.7265 1919.6070 111.4566 -206301.8875 17901.2268 0.0000 0.0000 34418.1838 -149102.6921 300.5826 -183520.8758 -149014.1576 299.2889 16.1344 49.2753 557152.7546 -3.6374 -3.6199 PRESSURE: 2864000 101.655 40.0951 -51.4891 40.0958 -222.515 124.55 -51.4905 124.551 -137.507 GPRESSURE: 2864000 122.164 63.281 -72.8933 -2.23395 -172.176 47.8278 -112.977 118.828 -110.603 PRESSAVG: 2864000 62.4567 -9.78636 -20.0255 -9.78633 -52.7326 35.0783 -20.0254 35.0783 14.9743 GPRESSAVG: 2864000 62.8471 -6.22673 -21.8839 -10.2535 -53.083 33.8613 -18.4745 35.7889 14.6634 TIMING: 2864000 CPU: 8538.71, 0.00296983/step Wall: 8538.71, 0.00296983/step, 1.7621 hours remaining, 207.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2864000 779.8587 2097.6066 1926.1021 120.6134 -206309.7750 17845.6807 0.0000 0.0000 34352.1954 -149187.7181 300.0063 -183539.9135 -149091.1232 299.9712 -86.1224 -53.5385 557120.1049 8.2328 8.1425 PRESSURE: 2864200 -40.3432 -7.5705 -43.7683 -7.57023 -70.1536 94.4794 -43.7689 94.4802 -6.13858 GPRESSURE: 2864200 32.3689 -13.254 19.3966 -25.0543 -81.3994 121.772 -89.8563 77.6951 21.548 PRESSAVG: 2864200 52.3869 19.3823 -10.4383 19.3823 -23.6183 7.72548 -10.4383 7.7255 6.8131 GPRESSAVG: 2864200 51.3915 17.0968 -8.9609 18.8817 -23.7885 8.39679 -9.63531 8.94337 8.34202 TIMING: 2864200 CPU: 8539.3, 0.00295372/step Wall: 8539.3, 0.00295372/step, 1.75238 hours remaining, 207.332031 MB of memory in use. ENERGY: 2864200 737.8466 2045.4745 1932.8794 119.7915 -206121.1922 17692.9520 0.0000 0.0000 34331.8132 -149260.4350 299.8283 -183592.2482 -149157.0670 299.4843 -38.8785 -9.1608 556963.1687 11.8606 11.9817 LDB: ============= START OF LOAD BALANCING ============== 8542.85 LDB: ============== END OF LOAD BALANCING =============== 8542.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8542.85 LDB: ============= START OF LOAD BALANCING ============== 8543.14 LDB: Largest compute 4773 load 0.028491 is 24.1% of average load 0.118276 LDB: Average compute 0.001737 is 1.5% of average load 0.118276 LDB: TIME 8543.14 LOAD: AVG 0.118276 MAX 0.201915 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 8543.14 LOAD: AVG 0.118276 MAX 0.201915 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 8543.14 LOAD: AVG 0.118276 MAX 0.201915 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8543.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8543.15 PRESSURE: 2864400 103.405 -83.8533 49.558 -83.8524 -98.6984 -39.9693 49.5575 -39.9708 -119.585 GPRESSURE: 2864400 118.834 14.9142 45.9857 -114.287 -122.799 -34.0156 137.858 -47.969 -15.8833 PRESSAVG: 2864400 52.7323 -2.98457 -42.9877 -2.98472 -35.6114 33.4682 -42.9878 33.4681 -17.686 GPRESSAVG: 2864400 52.3199 0.831167 -42.7964 -4.23457 -35.2334 33.4088 -43.9379 32.9916 -17.3232 TIMING: 2864400 CPU: 8539.9, 0.00299815/step Wall: 8539.9, 0.00299814/step, 1.77857 hours remaining, 206.734375 MB of memory in use. ENERGY: 2864400 709.1151 2089.3922 1941.8030 108.0820 -205917.4442 17598.3564 0.0000 0.0000 34420.6683 -149050.0274 300.6043 -183470.6957 -148949.9715 299.4049 -38.2927 -6.6163 557076.2593 -0.1884 -0.0789 PRESSURE: 2864600 -228.24 -33.0426 69.4077 -33.0425 -304.641 1.32125 69.4085 1.32103 -28.9162 GPRESSURE: 2864600 -191.639 -66.8219 -7.98055 27.6495 -237.254 37.8796 5.03403 -83.0789 -30.614 PRESSAVG: 2864600 -21.6561 9.15152 1.24966 9.15142 -6.56365 2.64979 1.24958 2.64971 -5.4438 GPRESSAVG: 2864600 -20.9647 7.4053 2.59194 8.04975 -6.2057 3.19004 -1.87917 1.47169 -6.28735 TIMING: 2864600 CPU: 8540.49, 0.00296091/step Wall: 8540.49, 0.00296091/step, 1.75631 hours remaining, 206.734375 MB of memory in use. ENERGY: 2864600 742.1845 2064.7517 1922.4930 122.8891 -205546.5749 17458.1497 0.0000 0.0000 34236.2753 -148999.8317 298.9939 -183236.1070 -148906.3195 299.8561 -187.2659 -153.1691 557213.4029 -11.2212 -11.1526 PRESSURE: 2864800 -56.7444 -62.0016 221.914 -62.0008 -88.778 9.82504 221.915 9.8251 96.8156 GPRESSURE: 2864800 5.09978 50.8008 260.704 -130.115 -56.3295 88.7417 183.278 -11.6981 101.704 PRESSAVG: 2864800 -43.4351 -46.1847 52.3128 -46.1847 32.3893 23.0077 52.3128 23.0077 0.223086 GPRESSAVG: 2864800 -42.1191 -46.8878 49.7176 -46.5567 31.0575 25.2796 55.8588 21.4942 0.500242 TIMING: 2864800 CPU: 8541.09, 0.00296365/step Wall: 8541.09, 0.00296365/step, 1.75777 hours remaining, 206.773438 MB of memory in use. ENERGY: 2864800 698.9035 2139.1472 1943.9657 112.0353 -205909.1118 17664.4026 0.0000 0.0000 34481.3038 -148869.3537 301.1338 -183350.6575 -148776.3875 300.0927 -16.2356 16.8249 556913.2464 -3.6076 -3.5204 PRESSURE: 2865000 18.1903 -25.7048 109.776 -25.7038 -67.2242 -19.0222 109.775 -19.0226 249.36 GPRESSURE: 2865000 76.1319 2.39175 167.685 -67.2967 9.75835 14.5908 50.9388 -37.5388 220.853 PRESSAVG: 2865000 -59.8467 -4.49402 -26.2024 -4.49404 -12.6242 5.09278 -26.2024 5.09287 33.7784 GPRESSAVG: 2865000 -60.6234 -5.56249 -25.9336 -2.68322 -10.7046 0.418078 -28.2016 9.2619 32.8145 TIMING: 2865000 CPU: 8541.68, 0.00295917/step Wall: 8541.68, 0.00295917/step, 1.75495 hours remaining, 206.773438 MB of memory in use. ENERGY: 2865000 720.1319 2079.6787 1943.3611 111.5089 -206063.3476 17898.1903 0.0000 0.0000 34406.1867 -148904.2899 300.4778 -183310.4766 -148795.1524 300.1786 66.7753 102.2479 558415.2138 -12.8975 -12.8378 PRESSURE: 2865200 -157.218 85.0402 55.1348 85.0413 -102.028 67.3049 55.1349 67.3062 -106.437 GPRESSURE: 2865200 -148.267 40.8916 14.9019 115.884 -88.9215 64.3831 140.41 123.525 -30.578 PRESSAVG: 2865200 -37.2807 -12.7472 26.4658 -12.7471 36.0967 23.476 26.4659 23.476 3.95735 GPRESSAVG: 2865200 -38.1744 -13.6342 26.2602 -12.7394 36.2756 24.1957 28.4911 21.5641 4.87616 TIMING: 2865200 CPU: 8542.27, 0.00294459/step Wall: 8542.27, 0.00294459/step, 1.74614 hours remaining, 206.773438 MB of memory in use. ENERGY: 2865200 712.2806 2064.8190 1942.4097 111.1687 -205760.5934 17608.3692 0.0000 0.0000 34483.5717 -148837.9746 301.1536 -183321.5462 -148743.7705 300.6187 -121.8944 -89.2556 558835.2526 0.9245 0.9925 PRESSURE: 2865400 243.14 -31.3903 32.2809 -31.3906 -24.7123 50.7721 32.2803 50.7743 26.7472 GPRESSURE: 2865400 233.819 -21.3539 -17.1114 -53.2329 31.8937 148.485 86.852 -22.0643 67.8205 PRESSAVG: 2865400 -74.664 24.754 17.1356 24.754 74.3542 59.4297 17.1357 59.4296 1.29258 GPRESSAVG: 2865400 -73.3618 25.1852 19.7635 24.2247 73.8999 61.9072 14.2179 59.9761 0.1832 TIMING: 2865400 CPU: 8542.86, 0.00298338/step Wall: 8542.86, 0.00298338/step, 1.76898 hours remaining, 206.773438 MB of memory in use. ENERGY: 2865400 753.0454 2064.1116 1949.0350 106.3199 -205693.6569 17706.6340 0.0000 0.0000 34343.0210 -148771.4900 299.9261 -183114.5111 -148667.4040 300.4283 81.7249 111.1777 559758.4019 0.3276 0.2404 PRESSURE: 2865600 -304.122 -133.328 102.994 -133.328 -148.304 -49.3306 102.993 -49.3314 -71.0457 GPRESSURE: 2865600 -262.61 -114.38 82.1706 -168.688 -137.188 -87.4679 140.234 26.6899 -34.8338 PRESSAVG: 2865600 49.3441 -29.7956 56.0212 -29.7956 -1.71216 14.156 56.0212 14.1559 -45.768 GPRESSAVG: 2865600 48.9548 -28.4472 52.7106 -28.6895 -1.38294 13.7109 57.1834 13.4367 -45.7374 TIMING: 2865600 CPU: 8543.46, 0.00296507/step Wall: 8543.46, 0.00296507/step, 1.75796 hours remaining, 206.773438 MB of memory in use. ENERGY: 2865600 737.7476 2148.5353 1936.3562 118.2828 -205775.2903 17620.5048 0.0000 0.0000 34355.7500 -148858.1136 300.0373 -183213.8636 -148774.0045 300.3952 -174.4907 -144.8771 559698.5177 0.6213 0.6115 PRESSURE: 2865800 -4.02109 -96.8255 50.983 -96.8271 321.145 62.9999 50.9829 63.0004 118.263 GPRESSURE: 2865800 2.8191 -180.627 138.226 9.04412 415.409 -37.0637 107.63 219.133 119.814 PRESSAVG: 2865800 -93.0198 -1.9566 30.3911 -1.95662 19.4542 64.2995 30.3911 64.2995 64.8129 GPRESSAVG: 2865800 -92.835 -2.25964 30.8065 -2.83827 18.2266 64.753 33.3959 62.4855 66.0082 TIMING: 2865800 CPU: 8544.05, 0.00299055/step Wall: 8544.05, 0.00299055/step, 1.7729 hours remaining, 206.773438 MB of memory in use. ENERGY: 2865800 756.0585 2124.1814 1881.8990 119.7321 -206127.5887 18004.7781 0.0000 0.0000 34403.1328 -148837.8068 300.4511 -183240.9396 -148738.7902 300.0470 145.1289 179.3476 557759.3011 -2.9176 -2.8668 PRESSURE: 2866000 -10.0608 -159.306 115.605 -159.308 86.1359 85.6527 115.605 85.6541 -256.194 GPRESSURE: 2866000 0.363008 -144.307 66.2564 -160.462 123.236 110.284 142.797 38.9573 -215.037 PRESSAVG: 2866000 -48.0263 -17.6055 52.854 -17.6055 23.4799 32.8973 52.8539 32.8973 63.8357 GPRESSAVG: 2866000 -48.2104 -17.1428 53.287 -18.434 24.7461 34.3547 50.8471 33.9036 63.0718 TIMING: 2866000 CPU: 8544.65, 0.00297686/step Wall: 8544.65, 0.00297686/step, 1.76462 hours remaining, 206.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2866000 705.3593 2181.9695 1946.7569 118.8213 -206191.5497 17904.2576 0.0000 0.0000 34381.8146 -148952.5705 300.2649 -183334.3851 -148861.0464 300.0337 -60.0397 -30.4791 558872.3919 13.0964 13.2025 PRESSURE: 2866200 243.114 -13.7412 131.37 -13.7407 -93.5718 -122.653 131.37 -122.652 136.869 GPRESSURE: 2866200 267.366 14.6236 152.621 -77.6601 -53.3898 -45.5245 159.268 -113.011 172.398 PRESSAVG: 2866200 -0.00384922 -22.5073 35.746 -22.5073 -30.7096 -7.82169 35.7459 -7.82173 16.68 GPRESSAVG: 2866200 -0.538789 -22.6163 35.2995 -22.802 -31.5409 -7.30946 35.2887 -6.03968 17.9 TIMING: 2866200 CPU: 8545.24, 0.00294928/step Wall: 8545.24, 0.00294928/step, 1.74811 hours remaining, 206.773438 MB of memory in use. ENERGY: 2866200 738.6995 2111.4913 1940.8383 121.1258 -206378.2709 18077.1175 0.0000 0.0000 34329.2684 -149059.7300 299.8060 -183388.9984 -148970.5895 300.1708 95.4704 128.7913 558636.1406 -4.6778 -4.7266 PRESSURE: 2866400 74.8627 -3.15459 -6.98819 -3.15504 99.2105 -98.2612 -6.98947 -98.2606 -84.3678 GPRESSURE: 2866400 113.234 19.8818 -133.451 -32.3573 133.09 -88.8676 -14.0198 -77.2164 -65.465 PRESSAVG: 2866400 -4.53796 12.1484 5.74781 12.1483 18.0354 -24.6287 5.7478 -24.6288 -19.4875 GPRESSAVG: 2866400 -4.77572 11.1657 6.05908 13.3 17.5336 -26.8732 6.50296 -26.326 -19.2851 TIMING: 2866400 CPU: 8545.83, 0.00296055/step Wall: 8545.83, 0.00296055/step, 1.75462 hours remaining, 206.773438 MB of memory in use. ENERGY: 2866400 748.9560 2141.2034 1952.6638 104.0300 -205702.1777 17728.9069 0.0000 0.0000 34040.1754 -148986.2423 297.2813 -183026.4177 -148889.6036 299.9925 29.9018 60.2864 557834.0079 -1.9967 -2.1757 PRESSURE: 2866600 -158.477 33.6728 -122.123 33.6731 -195.023 56.8951 -122.125 56.8962 -36.7554 GPRESSURE: 2866600 -107.688 41.168 -57.3677 -31.355 -152.536 102.529 -195.403 5.89996 -29.9877 PRESSAVG: 2866600 -70.5765 12.0249 -30.8278 12.0248 27.6996 31.5657 -30.8277 31.5657 49.0121 GPRESSAVG: 2866600 -70.9191 12.8268 -31.132 10.2179 28.3332 30.2028 -31.4817 34.4475 48.1489 TIMING: 2866600 CPU: 8546.42, 0.00295938/step Wall: 8546.42, 0.00295938/step, 1.75376 hours remaining, 206.773438 MB of memory in use. ENERGY: 2866600 716.3436 2087.8552 1914.8288 101.5691 -205643.9995 17433.0709 0.0000 0.0000 34361.1811 -149029.1509 300.0847 -183390.3320 -148931.2947 300.5050 -130.0850 -96.7374 556138.9549 2.0450 1.8543 PRESSURE: 2866800 -234.529 -46.638 108.68 -46.6359 -29.3781 16.2953 108.68 16.2972 -95.6487 GPRESSURE: 2866800 -146.59 -41.0312 159.95 -82.2882 -41.3543 27.2762 78.7273 110.462 -68.9302 PRESSAVG: 2866800 19.9465 -38.384 41.1151 -38.3839 26.3615 49.3699 41.1152 49.3699 -38.5823 GPRESSAVG: 2866800 20.1908 -39.0319 42.6414 -38.6966 25.6039 51.1569 39.5328 45.7737 -38.2603 TIMING: 2866800 CPU: 8547.02, 0.00296527/step Wall: 8547.02, 0.00296527/step, 1.75709 hours remaining, 206.773438 MB of memory in use. ENERGY: 2866800 781.5945 2112.3853 1948.3929 107.0442 -205922.7998 17558.8256 0.0000 0.0000 34332.5007 -149082.0566 299.8343 -183414.5573 -148984.1501 299.4671 -119.8519 -85.6248 557059.1953 2.5752 2.5115 PRESSURE: 2867000 -31.7823 48.0502 -82.9635 48.0494 63.6168 55.3361 -82.9634 55.3352 80.2313 GPRESSURE: 2867000 -0.0409742 135.709 -53.6827 -10.1963 97.3251 36.1729 -108.354 46.167 98.5092 PRESSAVG: 2867000 -25.4332 -19.0509 10.097 -19.0509 -16.6059 35.5095 10.097 35.5095 42.5832 GPRESSAVG: 2867000 -25.8622 -18.1298 9.28158 -17.297 -16.0137 36.1494 11.8586 36.7371 42.1948 TIMING: 2867000 CPU: 8547.61, 0.00294655/step Wall: 8547.61, 0.00294655/step, 1.74583 hours remaining, 206.773438 MB of memory in use. ENERGY: 2867000 742.4175 2119.2467 1929.7999 122.2761 -206156.2386 17867.3934 0.0000 0.0000 34349.9682 -149025.1368 299.9868 -183375.1050 -148927.3801 299.6633 37.3553 65.2645 555602.1891 0.1813 0.1063 PRESSURE: 2867200 369.563 -27.4492 69.6038 -27.4485 327.993 143.247 69.6043 143.247 195.542 GPRESSURE: 2867200 397.763 -109.958 43.5714 -74.3673 350.95 204.908 68.6584 112.194 226.151 PRESSAVG: 2867200 14.9817 22.5923 -6.67951 22.5923 93.1345 67.9964 -6.67945 67.9964 -73.7591 GPRESSAVG: 2867200 14.51 21.8519 -7.83153 20.5783 93.2901 65.1819 -7.28206 68.7503 -73.7987 TIMING: 2867200 CPU: 8548.2, 0.00298959/step Wall: 8548.2, 0.00298959/step, 1.77117 hours remaining, 206.773438 MB of memory in use. ENERGY: 2867200 739.7690 2037.4399 1955.7607 113.5113 -206237.7361 18076.7604 0.0000 0.0000 34322.0843 -148992.4105 299.7433 -183314.4948 -148897.7073 299.7903 297.6995 324.9548 555952.4778 11.4523 11.3338 PRESSURE: 2867400 105.387 179.655 -33.4396 179.656 -70.0837 39.362 -33.4388 39.362 214.096 GPRESSURE: 2867400 152.331 168.774 -40.0256 259.329 -65.1418 151.1 -43.236 32.1467 253.927 PRESSAVG: 2867400 24.1465 0.583278 31.5344 0.583259 -40.7443 -40.1102 31.5344 -40.1103 11.9876 GPRESSAVG: 2867400 23.7268 1.56259 32.1779 2.51613 -41.0438 -36.4121 32.8706 -42.797 12.8574 TIMING: 2867400 CPU: 8548.8, 0.00298079/step Wall: 8548.8, 0.00298079/step, 1.76579 hours remaining, 206.773438 MB of memory in use. ENERGY: 2867400 718.7816 2099.8307 1930.1333 124.2159 -206081.3169 17866.2070 0.0000 0.0000 34369.5909 -148972.5574 300.1582 -183342.1483 -148878.2963 300.1472 83.1329 113.7054 556608.1583 -1.5368 -1.4865 PRESSURE: 2867600 -27.5252 7.54847 -97.2507 7.54775 -207.939 0.541141 -97.2515 0.539881 115.857 GPRESSURE: 2867600 80.0716 -37.1476 -75.2647 3.74205 -235.247 23.581 -105.705 5.1178 139.936 PRESSAVG: 2867600 -81.5426 15.2812 -23.8407 15.2812 48.7881 -10.8055 -23.8408 -10.8054 57.0701 GPRESSAVG: 2867600 -80.8498 14.2829 -22.8555 14.4194 48.7897 -12.0803 -25.5731 -9.88042 56.5269 TIMING: 2867600 CPU: 8549.4, 0.0029797/step Wall: 8549.4, 0.0029797/step, 1.76498 hours remaining, 206.773438 MB of memory in use. ENERGY: 2867600 725.6463 2055.2689 1958.5495 114.4528 -205660.7649 17631.7206 0.0000 0.0000 34181.3543 -148993.7725 298.5143 -183175.1268 -148894.9370 300.0645 -39.8691 -5.0800 557900.4321 8.1052 8.1556 PRESSURE: 2867800 12.9774 -149.041 -206.897 -149.04 -50.2618 34.4947 -206.896 34.4944 74.5827 GPRESSURE: 2867800 11.618 -87.879 -127.785 -115.077 -25.7759 38.3384 -263.329 33.8463 161.39 PRESSAVG: 2867800 -39.8334 16.7168 -25.3185 16.7167 15.2353 -13.1049 -25.3186 -13.1049 -3.48152 GPRESSAVG: 2867800 -39.3313 16.5962 -27.0533 17.5198 16.7363 -13.5506 -25.4774 -11.8675 -4.54348 TIMING: 2867800 CPU: 8549.98, 0.00294588/step Wall: 8549.98, 0.00294588/step, 1.74478 hours remaining, 206.773438 MB of memory in use. ENERGY: 2867800 752.9427 2022.0155 1948.7213 110.3575 -206210.2488 17969.9708 0.0000 0.0000 34472.3281 -148933.9129 301.0554 -183406.2410 -148841.3546 300.7078 12.4328 49.0775 557394.9797 -9.3599 -9.0462 PRESSURE: 2868000 -141.167 -3.66866 200.257 -3.66944 -34.8338 57.083 200.257 57.0829 -210.279 GPRESSURE: 2868000 -39.894 -1.47264 203.911 74.9883 -69.6599 44.2003 171.766 84.3435 -169.293 PRESSAVG: 2868000 13.9802 18.0541 37.4704 18.0541 -59.1489 39.0286 37.4705 39.0287 63.1818 GPRESSAVG: 2868000 13.7849 16.8167 38.8784 19.0795 -60.3198 37.3902 36.6769 38.9651 64.0864 TIMING: 2868000 CPU: 8550.58, 0.00296222/step Wall: 8550.58, 0.00296222/step, 1.75429 hours remaining, 206.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2868000 747.5497 2097.5850 1939.9216 108.4129 -205937.6826 17693.2208 0.0000 0.0000 34375.1163 -148975.8763 300.2064 -183350.9926 -148877.7862 300.7263 -128.7596 -92.9491 556973.7054 6.0044 5.8505 PRESSURE: 2868200 183.415 45.7166 157.158 45.717 -41.8365 -27.5154 157.158 -27.5151 -43.2555 GPRESSURE: 2868200 219.816 -2.94958 155.285 73.9546 -0.608794 -14.3364 138.306 -28.0407 -20.2681 PRESSAVG: 2868200 71.7612 -19.1621 61.7911 -19.1622 -40.8963 11.4903 61.7911 11.4903 -29.9303 GPRESSAVG: 2868200 72.191 -16.8585 62.4748 -20.2603 -40.3885 12.4908 62.8712 10.0528 -30.4573 TIMING: 2868200 CPU: 8551.17, 0.0029429/step Wall: 8551.17, 0.0029429/step, 1.74268 hours remaining, 206.773438 MB of memory in use. ENERGY: 2868200 694.1075 2072.4690 1930.1725 114.5845 -206122.2952 17585.7328 0.0000 0.0000 34725.3501 -148999.8789 303.2651 -183725.2290 -148893.2622 300.5186 32.7743 66.3131 556797.1861 0.3115 0.4484 LDB: ============= START OF LOAD BALANCING ============== 8554.71 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8554.71 LDB: =============== DONE WITH MIGRATION ================ 8554.71 LDB: ============= START OF LOAD BALANCING ============== 8555.01 LDB: Largest compute 4773 load 0.028437 is 24.0% of average load 0.118330 LDB: Average compute 0.001740 is 1.5% of average load 0.118330 LDB: TIME 8555.01 LOAD: AVG 0.11833 MAX 0.202205 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 8555.01 LOAD: AVG 0.11833 MAX 0.202205 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.25 MB LDB: TIME 8555.01 LOAD: AVG 0.11833 MAX 0.202205 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.25 MB LDB: ============== END OF LOAD BALANCING =============== 8555.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8555.02 PRESSURE: 2868400 67.8372 -1.74902 62.0941 -1.74897 -119.052 -48.4701 62.0945 -48.4697 -207.113 GPRESSURE: 2868400 71.8112 -54.0763 117.154 47.9829 -63.2251 -74.2173 9.44592 15.9096 -173.168 PRESSAVG: 2868400 28.0665 6.15959 30.341 6.15953 -25.3432 -25.8181 30.3411 -25.8181 -5.9803 GPRESSAVG: 2868400 26.977 5.19577 27.9594 7.80696 -24.9843 -25.7551 31.5325 -24.8353 -5.06521 TIMING: 2868400 CPU: 8551.77, 0.0030263/step Wall: 8551.77, 0.0030263/step, 1.79191 hours remaining, 208.015625 MB of memory in use. ENERGY: 2868400 740.1233 2067.7477 1945.0621 129.6177 -205844.9963 17683.7591 0.0000 0.0000 34255.6697 -149023.0166 299.1633 -183278.6863 -148930.2027 300.2162 -86.1093 -54.8607 557796.6884 -1.0857 -1.0241 PRESSURE: 2868600 95.4964 210.256 -142.457 210.256 -23.3312 221.061 -142.458 221.061 -186.817 GPRESSURE: 2868600 29.1962 245.134 -153.333 286.584 82.1803 138.037 -72.8249 280.607 -121.298 PRESSAVG: 2868600 25.3576 -13.4257 4.73549 -13.4256 -41.1629 65.4254 4.73551 65.4254 13.3647 GPRESSAVG: 2868600 24.9348 -12.1355 6.12752 -13.4836 -40.7461 65.9889 3.54972 65.7318 13.4539 TIMING: 2868600 CPU: 8552.36, 0.00294162/step Wall: 8552.36, 0.00294162/step, 1.7416 hours remaining, 208.218750 MB of memory in use. ENERGY: 2868600 765.0024 2097.5545 1944.7285 104.9726 -205863.8232 17638.2867 0.0000 0.0000 34474.2155 -148839.0630 301.0719 -183313.2785 -148741.1297 300.4419 -38.2173 -3.3071 556865.4350 -0.8135 -0.7858 PRESSURE: 2868800 -288.095 64.1812 -163.418 64.1814 -242.9 -22.8683 -163.419 -22.8699 -219.709 GPRESSURE: 2868800 -204.205 62.2882 -132.572 119.805 -197.688 -49.2463 -148.764 -29.3946 -250.848 PRESSAVG: 2868800 16.356 -45.3264 -20.1785 -45.3264 -52.9439 32.8436 -20.1786 32.8435 16.4982 GPRESSAVG: 2868800 17.3578 -46.689 -20.4024 -46.8488 -53.5199 32.0219 -18.2905 32.7966 16.2379 TIMING: 2868800 CPU: 8552.95, 0.00294161/step Wall: 8552.95, 0.00294161/step, 1.74144 hours remaining, 208.218750 MB of memory in use. ENERGY: 2868800 784.1961 2113.0490 1939.8393 119.6569 -205515.2247 17437.5308 0.0000 0.0000 34285.3370 -148835.6156 299.4224 -183120.9525 -148742.4023 300.2543 -250.2346 -217.5806 558396.3515 -6.6966 -6.6414 PRESSURE: 2869000 -423.926 -152.309 75.5517 -152.309 -262.305 -94.5443 75.5526 -94.5441 -340.284 GPRESSURE: 2869000 -367.131 -176.134 60.3252 -130.585 -238.34 -112.681 150.685 -38.2405 -307.541 PRESSAVG: 2869000 -5.00799 -10.9042 0.704335 -10.9043 -32.0369 -41.4789 0.704363 -41.479 55.5366 GPRESSAVG: 2869000 -5.28976 -12.3647 0.641276 -10.4769 -31.9221 -41.7971 0.892127 -41.8626 55.2869 TIMING: 2869000 CPU: 8553.54, 0.00297222/step Wall: 8553.54, 0.00297222/step, 1.75939 hours remaining, 208.218750 MB of memory in use. ENERGY: 2869000 762.6769 2083.5830 1965.2813 119.7930 -205181.9785 17188.2742 0.0000 0.0000 34241.1995 -148821.1704 299.0369 -183062.3700 -148721.5450 300.4718 -342.1718 -304.3373 559938.8341 6.1639 6.0250 PRESSURE: 2869200 -527.74 -102.528 -60.4852 -102.527 57.8994 -10.8386 -60.484 -10.8386 78.1501 GPRESSURE: 2869200 -477.271 -127.921 -57.75 -92.9532 40.9287 36.4528 -58.3117 -15.894 145.887 PRESSAVG: 2869200 -40.993 28.7996 -22.023 28.7996 2.08487 -18.4995 -22.0229 -18.4997 14.1372 GPRESSAVG: 2869200 -40.3293 30.2299 -23.6508 27.8577 0.985319 -18.4375 -24.6708 -16.0953 15.0189 TIMING: 2869200 CPU: 8554.14, 0.0029791/step Wall: 8554.14, 0.0029791/step, 1.7633 hours remaining, 208.218750 MB of memory in use. ENERGY: 2869200 756.1030 2072.0151 1940.7316 131.7580 -205551.9133 17496.1642 0.0000 0.0000 34266.4764 -148888.6651 299.2577 -183155.1414 -148789.0659 299.9208 -130.5634 -96.8182 557867.1556 -8.2570 -8.1084 PRESSURE: 2869400 -62.2037 -30.0897 -244.347 -30.0886 -155.178 -60.5318 -244.348 -60.5316 -142.381 GPRESSURE: 2869400 -101.637 -16.7423 -268.775 -15.3517 -86.7876 -51.468 -244.076 18.3506 -52.3014 PRESSAVG: 2869400 -57.3655 -56.2709 -39.3118 -56.2708 5.85019 0.499931 -39.3119 0.499895 46.034 GPRESSAVG: 2869400 -57.4976 -56.4845 -37.3082 -55.4632 7.50892 0.665012 -37.9876 -0.148044 44.3354 TIMING: 2869400 CPU: 8554.73, 0.00297541/step Wall: 8554.73, 0.00297541/step, 1.76095 hours remaining, 208.218750 MB of memory in use. ENERGY: 2869400 732.1264 2102.5166 1968.3649 114.9729 -205987.8957 17701.4247 0.0000 0.0000 34259.3969 -149109.0932 299.1958 -183368.4901 -149012.4194 299.6057 -119.9210 -80.2419 557592.4916 -1.8271 -1.8844 PRESSURE: 2869600 -51.1676 -120.904 -2.90302 -120.903 -8.14284 229.543 -2.90381 229.541 -20.3739 GPRESSURE: 2869600 -20.5292 -62.1726 -7.55892 -159.475 20.792 204.408 -13.0145 195.885 17.9863 PRESSAVG: 2869600 -21.5607 17.9788 6.89983 17.9788 -29.7333 -2.54834 6.89982 -2.54843 34.4348 GPRESSAVG: 2869600 -22.341 17.8493 7.51451 19.6327 -29.7765 -1.65155 7.4422 -4.60785 35.5787 TIMING: 2869600 CPU: 8555.33, 0.00296411/step Wall: 8555.33, 0.00296411/step, 1.75409 hours remaining, 208.218750 MB of memory in use. ENERGY: 2869600 744.2964 2112.0075 1971.5065 121.0376 -206287.6652 17838.4797 0.0000 0.0000 34445.7589 -149054.5785 300.8234 -183500.3375 -148964.6302 300.1724 -26.5614 6.0830 556794.4730 -5.6197 -5.5129 PRESSURE: 2869800 -110.234 -58.5707 0.172565 -58.5698 122.72 -97.1084 0.171838 -97.1096 220.609 GPRESSURE: 2869800 -88.3455 -39.2521 48.6832 -27.9949 148.817 -99.1335 -19.6153 -58.8846 276.141 PRESSAVG: 2869800 -74.7114 -6.37636 70.1338 -6.37649 31.5132 -60.7799 70.1337 -60.7799 77.0324 GPRESSAVG: 2869800 -74.4351 -6.16592 69.7361 -9.84816 31.1115 -61.9873 69.747 -60.7779 77.02 TIMING: 2869800 CPU: 8555.91, 0.00294158/step Wall: 8555.91, 0.00294158/step, 1.7406 hours remaining, 208.218750 MB of memory in use. ENERGY: 2869800 740.4261 2012.5269 1919.3308 121.9153 -206348.3954 18184.3272 0.0000 0.0000 34120.7060 -149249.1631 297.9846 -183369.8691 -149149.0986 300.0282 77.6983 112.2043 557444.1601 11.2781 11.2321 PRESSURE: 2870000 -142.264 57.8436 -24.5597 57.8434 -209.075 -5.32246 -24.5597 -5.32313 -159.403 GPRESSURE: 2870000 -138.232 73.0929 9.25079 28.8214 -148.913 -15.1666 -26.1673 -5.01821 -123.101 PRESSAVG: 2870000 -8.77408 27.5512 31.2091 27.5511 -27.9285 -59.1383 31.2092 -59.1383 23.2731 GPRESSAVG: 2870000 -8.05719 28.9863 31.2541 29.5293 -29.2738 -58.7298 31.1262 -57.005 23.8754 TIMING: 2870000 CPU: 8556.5, 0.00293245/step Wall: 8556.5, 0.00293245/step, 1.73503 hours remaining, 208.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2870000 775.1540 2070.9776 1950.1511 108.1799 -206118.5284 17692.3560 0.0000 0.0000 34304.4066 -149217.3031 299.5889 -183521.7097 -149127.2484 299.4673 -170.2475 -136.7489 559528.0921 -4.4765 -4.4852 PRESSURE: 2870200 180.803 55.3584 -84.4685 55.3579 12.7253 -66.4675 -84.4699 -66.4682 -223.45 GPRESSURE: 2870200 259.782 106.751 -37.2665 60.5768 29.1443 -69.7689 -64.0978 -119.898 -223.956 PRESSAVG: 2870200 54.1364 2.04114 -17.2815 2.04129 -40.0679 -14.1237 -17.2815 -14.1236 -1.08465 GPRESSAVG: 2870200 54.0117 0.578387 -19.3173 2.01531 -40.1275 -12.9947 -15.4999 -14.9523 -1.47128 TIMING: 2870200 CPU: 8557.09, 0.00292984/step Wall: 8557.09, 0.00292984/step, 1.73332 hours remaining, 208.218750 MB of memory in use. ENERGY: 2870200 725.8718 2031.6836 1916.2955 124.5206 -206239.9478 17700.5383 0.0000 0.0000 34223.0251 -149518.0129 298.8782 -183741.0380 -149417.5784 298.6503 -9.9740 21.6568 557824.7789 4.3280 4.1377 PRESSURE: 2870400 148.517 -46.6661 48.3088 -46.6664 132.523 -180.284 48.3083 -180.285 -212.483 GPRESSURE: 2870400 222.058 -43.5354 -0.0335167 7.69609 138.586 -168.519 -18.9078 -212.43 -199.001 PRESSAVG: 2870400 28.2009 51.2679 58.5915 51.2678 2.2311 9.96124 58.5916 9.96123 -30.2223 GPRESSAVG: 2870400 27.3911 51.424 59.6727 51.2205 3.6962 10.7432 57.477 9.19107 -31.1441 TIMING: 2870400 CPU: 8557.68, 0.00296802/step Wall: 8557.68, 0.00296802/step, 1.75575 hours remaining, 208.218750 MB of memory in use. ENERGY: 2870400 755.6927 2058.4803 1942.5119 103.7323 -206343.8157 17889.0101 0.0000 0.0000 34043.4719 -149550.9165 297.3101 -183594.3883 -149459.5675 297.9414 22.8522 53.8811 558993.8427 0.0699 -0.0189 PRESSURE: 2870600 -204.347 60.1224 -27.0644 60.123 -153.477 65.0289 -27.0636 65.027 -40.8743 GPRESSURE: 2870600 -140.715 77.5836 -69.6974 42.075 -119.055 90.2055 23.0215 64.7451 -55.022 PRESSAVG: 2870600 22.5625 3.52695 -9.32844 3.52701 -20.7183 1.81505 -9.32838 1.81517 6.63865 GPRESSAVG: 2870600 23.6734 4.55514 -12.4077 2.61224 -22.4078 0.914555 -6.728 2.26795 7.62051 TIMING: 2870600 CPU: 8558.28, 0.00297805/step Wall: 8558.28, 0.00297805/step, 1.76152 hours remaining, 208.218750 MB of memory in use. ENERGY: 2870600 739.5075 2093.6934 1964.8023 113.3127 -206178.6523 17792.1080 0.0000 0.0000 34040.6999 -149434.5285 297.2859 -183475.2283 -149342.3220 297.8113 -132.8995 -104.9305 558607.3701 2.8276 2.9620 PRESSURE: 2870800 -104.473 88.9949 -240.171 88.9957 -88.5101 11.9262 -240.17 11.926 -65.0034 GPRESSURE: 2870800 -96.5822 155.947 -276.868 52.2833 -22.9664 14.6471 -219.203 -34.4283 -43.6173 PRESSAVG: 2870800 -28.7904 22.2401 -27.9583 22.2402 24.0435 29.5362 -27.9583 29.5363 21.1236 GPRESSAVG: 2870800 -29.5336 21.3526 -26.2801 22.7767 25.2043 28.7379 -29.0003 28.3489 20.6411 TIMING: 2870800 CPU: 8558.87, 0.00299421/step Wall: 8558.87, 0.00299421/step, 1.77091 hours remaining, 208.218750 MB of memory in use. ENERGY: 2870800 735.4726 2081.9759 1961.4659 100.0714 -206320.7285 17839.2387 0.0000 0.0000 34204.8287 -149397.6753 298.7193 -183602.5041 -149304.0247 298.1295 -85.9954 -54.3887 556799.4686 5.4589 5.4373 PRESSURE: 2871000 -40.8995 -16.2276 -113.42 -16.2294 144.698 -6.85391 -113.42 -6.85394 -57.6309 GPRESSURE: 2871000 -61.2032 -27.4337 -64.9437 -26.7076 181.696 42.0164 -33.8351 50.7648 33.6882 PRESSAVG: 2871000 -0.536306 -16.4345 -3.06052 -16.4345 -1.32922 9.90662 -3.06052 9.90666 -30.3721 GPRESSAVG: 2871000 0.141207 -16.9082 -1.80579 -17.958 -1.67459 10.4101 -4.56584 9.29208 -30.2119 TIMING: 2871000 CPU: 8559.47, 0.00296184/step Wall: 8559.47, 0.00296183/step, 1.7516 hours remaining, 208.218750 MB of memory in use. ENERGY: 2871000 755.9831 2028.0639 1951.4970 121.0729 -206344.9979 17837.7701 0.0000 0.0000 34345.0388 -149305.5721 299.9438 -183650.6109 -149202.6067 299.0074 15.3893 51.3938 557718.4077 -10.7459 -10.5818 PRESSURE: 2871200 -54.3695 169.167 72.8539 169.165 98.2944 12.6202 72.8524 12.6195 -78.4749 GPRESSURE: 2871200 15.1844 153.455 121.339 183.964 93.9818 83.8296 101.642 -41.8442 -40.041 PRESSAVG: 2871200 -4.02824 10.2246 -11.7734 10.2246 18.6891 -36.5684 -11.7734 -36.5684 -0.646952 GPRESSAVG: 2871200 -4.25195 12.7945 -13.913 9.43177 19.1613 -35.6404 -12.073 -34.0057 -0.326145 TIMING: 2871200 CPU: 8560.06, 0.0029743/step Wall: 8560.06, 0.0029743/step, 1.7588 hours remaining, 208.218750 MB of memory in use. ENERGY: 2871200 730.5101 2095.2667 1948.4657 115.0689 -206096.3657 17828.2177 0.0000 0.0000 34237.3447 -149141.4919 299.0032 -183378.8367 -149041.2269 299.5367 -11.5166 23.0417 558474.6943 4.6713 4.8611 PRESSURE: 2871400 -168.001 124.763 63.0206 124.763 -317.284 7.49908 63.0212 7.50021 67.4983 GPRESSURE: 2871400 -133.521 81.99 53.2201 60.3403 -242.812 26.0941 102.65 4.63671 72.2088 PRESSAVG: 2871400 7.51836 54.5697 -61.6659 54.5698 -2.88819 -16.0441 -61.6659 -16.0442 -19.4917 GPRESSAVG: 2871400 7.82447 51.1913 -57.8219 55.6513 -3.6075 -16.4069 -62.9605 -16.8652 -19.4565 TIMING: 2871400 CPU: 8560.66, 0.00298373/step Wall: 8560.66, 0.00298373/step, 1.76421 hours remaining, 208.218750 MB of memory in use. ENERGY: 2871400 734.9850 2087.5169 1948.9848 107.2165 -206163.1039 17793.3936 0.0000 0.0000 34386.1410 -149104.8661 300.3027 -183491.0071 -149011.5575 299.6152 -139.2622 -101.3746 558889.6849 -4.9539 -5.0798 PRESSURE: 2871600 -27.9815 93.3776 27.6976 93.3774 87.1928 4.5328 27.6958 4.5323 -94.4936 GPRESSURE: 2871600 16.6501 199.547 -12.2203 56.6826 60.6613 2.54271 59.222 -23.4287 -15.7891 PRESSAVG: 2871600 63.4256 -11.4653 -58.1705 -11.4653 -30.1367 -4.58826 -58.1704 -4.58831 -27.4298 GPRESSAVG: 2871600 63.9066 -9.24818 -61.3895 -10.5471 -30.5469 -1.82842 -55.3539 -7.68705 -27.418 TIMING: 2871600 CPU: 8561.25, 0.00296228/step Wall: 8561.25, 0.00296228/step, 1.75137 hours remaining, 208.218750 MB of memory in use. ENERGY: 2871600 758.3437 2088.8264 1949.4026 119.4958 -206231.6999 17952.9146 0.0000 0.0000 34474.3673 -148888.3496 301.0732 -183362.7168 -148795.2819 299.9449 -11.7608 20.5074 559286.4594 1.9530 1.9806 PRESSURE: 2871800 -259.893 -38.7909 -22.5514 -38.7912 -73.6364 -42.528 -22.5518 -42.5258 -139.252 GPRESSURE: 2871800 -179.32 -94.6423 -67.9771 -72.6261 -64.3937 -22.4287 -21.6487 -24.2087 -130.164 PRESSAVG: 2871800 23.0137 -12.2936 23.7892 -12.2936 -22.5299 -19.6439 23.7893 -19.6439 -7.77586 GPRESSAVG: 2871800 23.5311 -12.5882 23.6242 -14.653 -22.759 -21.2263 23.1885 -18.0454 -7.8006 TIMING: 2871800 CPU: 8561.84, 0.00295431/step Wall: 8561.84, 0.00295431/step, 1.74649 hours remaining, 208.218750 MB of memory in use. ENERGY: 2871800 751.2797 2127.2532 1935.1337 119.0195 -206093.7768 17705.3445 0.0000 0.0000 34402.9226 -149052.8237 300.4493 -183455.7462 -148957.7468 299.8775 -157.5938 -124.6259 560335.2176 -2.4307 -2.3429 PRESSURE: 2872000 -197.419 -58.8607 -14.9932 -58.8609 252.888 45.8923 -14.9951 45.8915 -74.1112 GPRESSURE: 2872000 -167.803 -13.4569 -8.53731 -67.0531 283.813 95.1744 52.91 37.9534 -51.6538 PRESSAVG: 2872000 -40.5953 -33.9894 25.8641 -33.9894 41.6169 24.1127 25.8643 24.1127 0.0424693 GPRESSAVG: 2872000 -41.792 -33.7968 26.7248 -31.3732 42.7139 24.3736 25.7328 25.0156 -0.578327 TIMING: 2872000 CPU: 8562.43, 0.00294515/step Wall: 8562.43, 0.00294515/step, 1.74091 hours remaining, 208.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2872000 682.9200 2144.9362 1913.0603 118.8024 -206101.2972 17782.0823 0.0000 0.0000 34271.6147 -149187.8814 299.3025 -183459.4961 -149091.3148 300.1576 -6.2140 21.4522 558330.9137 0.3547 0.1145 PRESSURE: 2872200 359.792 -58.8771 78.3781 -58.8786 533.975 104.027 78.3789 104.028 118.998 GPRESSURE: 2872200 391.447 -65.8691 132.823 -41.3301 511.205 131.253 -3.52951 102.234 206.019 PRESSAVG: 2872200 13.1995 -88.9221 -11.5415 -88.9221 10.5847 -0.38493 -11.5416 -0.384956 -14.328 GPRESSAVG: 2872200 13.8347 -88.7586 -12.2688 -91.0851 9.94673 -2.76995 -11.1182 0.293508 -15.2946 TIMING: 2872200 CPU: 8563.02, 0.00293228/step Wall: 8563.02, 0.00293228/step, 1.73314 hours remaining, 208.218750 MB of memory in use. ENERGY: 2872200 711.2529 2123.4191 1920.3577 112.4221 -206568.1214 18285.6886 0.0000 0.0000 34336.4621 -149078.5189 299.8689 -183414.9810 -148982.3108 300.1012 337.5884 369.5568 558657.7549 3.1521 2.8289 LDB: ============= START OF LOAD BALANCING ============== 8566.56 LDB: ============== END OF LOAD BALANCING =============== 8566.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8566.56 LDB: ============= START OF LOAD BALANCING ============== 8566.85 LDB: Largest compute 4773 load 0.028044 is 23.7% of average load 0.118264 LDB: Average compute 0.001745 is 1.5% of average load 0.118264 LDB: TIME 8566.86 LOAD: AVG 0.118264 MAX 0.198086 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.223 MB LDB: TIME 8566.86 LOAD: AVG 0.118264 MAX 0.198086 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.281 MB LDB: TIME 8566.86 LOAD: AVG 0.118264 MAX 0.198086 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.281 MB LDB: ============== END OF LOAD BALANCING =============== 8566.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8566.86 PRESSURE: 2872400 242.796 -22.8488 105.613 -22.8485 -20.6046 -105.492 105.612 -105.491 -158.882 GPRESSURE: 2872400 273.489 -12.0172 48.1097 -31.0404 7.12722 -52.2584 133.275 -185.055 -115.637 PRESSAVG: 2872400 0.720733 -48.7415 22.9103 -48.7415 5.89327 -57.4425 22.9103 -57.4426 1.37523 GPRESSAVG: 2872400 0.765729 -48.745 22.3418 -47.986 5.95503 -53.4169 22.2325 -60.1966 1.05891 TIMING: 2872400 CPU: 8563.61, 0.00297885/step Wall: 8563.61, 0.00297885/step, 1.7605 hours remaining, 206.734375 MB of memory in use. ENERGY: 2872400 725.6801 2137.4849 1944.2259 106.2476 -206025.9298 17895.3302 0.0000 0.0000 34228.2531 -148988.7081 298.9238 -183216.9611 -148895.2284 299.7420 21.1032 54.9931 560098.3819 2.6631 2.5932 PRESSURE: 2872600 -37.339 -64.6544 76.9386 -64.6537 64.5445 93.5728 76.9383 93.5731 134.217 GPRESSURE: 2872600 -57.3319 -107.817 51.4669 -103.444 121.343 79.7392 118.921 67.974 186.69 PRESSAVG: 2872600 -35.3652 -1.72249 9.85385 -1.7225 40.0632 26.0974 9.8539 26.0973 -50.636 GPRESSAVG: 2872600 -35.7441 -1.48147 10.6316 -0.251829 40.6592 23.2848 10.0803 28.3597 -51.1934 TIMING: 2872600 CPU: 8564.21, 0.00296487/step Wall: 8564.21, 0.00296487/step, 1.75207 hours remaining, 206.734375 MB of memory in use. ENERGY: 2872600 708.8736 2117.8615 1926.7436 106.6527 -205864.4750 17681.5815 0.0000 0.0000 34316.5225 -149006.2396 299.6947 -183322.7622 -148902.4227 299.3642 53.8074 83.5672 556681.4713 -15.3127 -15.4261 PRESSURE: 2872800 -71.0246 88.5082 -55.1007 88.5082 -226.155 44.9548 -55.1004 44.9553 -224.286 GPRESSURE: 2872800 -45.403 32.4953 -21.7894 -27.3711 -234.062 2.90731 -137.373 161.135 -141.1 PRESSAVG: 2872800 3.89583 0.458015 -40.3513 0.457936 -4.72905 -13.7122 -40.3513 -13.7122 46.161 GPRESSAVG: 2872800 3.05632 -1.58789 -41.7431 -0.566022 -5.45377 -11.8794 -40.0341 -14.5404 47.8495 TIMING: 2872800 CPU: 8564.8, 0.00295426/step Wall: 8564.8, 0.00295426/step, 1.74564 hours remaining, 206.734375 MB of memory in use. ENERGY: 2872800 753.2362 2091.6307 1952.5484 102.2780 -205791.3778 17574.2481 0.0000 0.0000 34290.7884 -149026.6481 299.4700 -183317.4365 -148929.4110 299.9645 -173.8217 -140.1884 558196.2905 15.1093 15.1507 PRESSURE: 2873000 297.2 -49.6655 97.9432 -49.6657 -176.136 50.9484 97.9419 50.9485 -166.861 GPRESSURE: 2873000 311.251 -4.22641 147.649 -13.7505 -132.075 103.315 110.698 118.378 -120.283 PRESSAVG: 2873000 -35.0559 -5.33939 16.6028 -5.33936 41.2962 30.1416 16.6028 30.1416 -60.5396 GPRESSAVG: 2873000 -35.0114 -3.32282 17.3718 -3.77812 42.2055 27.4625 17.5582 31.6133 -61.0281 TIMING: 2873000 CPU: 8565.39, 0.00296349/step Wall: 8565.39, 0.00296349/step, 1.75093 hours remaining, 206.734375 MB of memory in use. ENERGY: 2873000 722.6964 2129.2828 1922.7832 125.2682 -205563.1305 17557.9405 0.0000 0.0000 34181.2802 -148923.8791 298.5136 -183105.1593 -148823.3232 299.8774 -15.2659 19.6308 557757.7884 -18.0998 -17.9447 PRESSURE: 2873200 -260.943 -53.8165 95.3108 -53.8166 -152.454 132.593 95.3123 132.593 25.279 GPRESSURE: 2873200 -181.714 -17.3395 91.7401 -131.457 -169.272 39.0613 189.37 136.68 57.022 PRESSAVG: 2873200 45.6249 -18.7557 28.6586 -18.7557 -98.8213 28.7377 28.6586 28.7377 70.1389 GPRESSAVG: 2873200 46.5978 -19.4077 28.7032 -19.509 -100.608 29.4545 28.1206 28.7693 70.2169 TIMING: 2873200 CPU: 8565.98, 0.00295434/step Wall: 8565.98, 0.00295434/step, 1.74536 hours remaining, 206.734375 MB of memory in use. ENERGY: 2873200 745.7017 2032.2441 1962.9953 108.5780 -205656.2042 17482.1392 0.0000 0.0000 34338.8107 -148985.7352 299.8894 -183324.5459 -148887.0187 299.8831 -129.3727 -97.9880 558384.0658 5.6475 5.4024 PRESSURE: 2873400 -232.239 105.715 98.761 105.715 -109.438 27.6795 98.7605 27.6798 -160.27 GPRESSURE: 2873400 -169.444 74.53 120.705 22.1397 -117.316 37.3918 97.2585 54.0263 -127.508 PRESSAVG: 2873400 125.006 -15.3114 41.5163 -15.3113 -91.0797 44.8184 41.5162 44.8185 -41.0742 GPRESSAVG: 2873400 125.354 -15.9205 40.6539 -16.0798 -91.2876 45.3695 40.963 44.346 -41.1544 TIMING: 2873400 CPU: 8566.57, 0.00293632/step Wall: 8566.57, 0.00293632/step, 1.73455 hours remaining, 206.734375 MB of memory in use. ENERGY: 2873400 749.5569 2079.6832 1948.3150 128.0544 -205899.7654 17577.4364 0.0000 0.0000 34476.3057 -148940.4139 301.0902 -183416.7195 -148844.1693 299.8176 -167.3156 -138.0892 558960.2993 -2.3827 -2.3628 PRESSURE: 2873600 97.9269 -83.4565 -42.7859 -83.4568 -20.1667 -5.43103 -42.7864 -5.43147 26.646 GPRESSURE: 2873600 94.2185 -67.7124 -78.8794 -28.4352 -2.66619 29.3218 8.64138 -15.4271 107.545 PRESSAVG: 2873600 -8.81822 19.1474 24.0749 19.1473 -13.6306 0.128943 24.0749 0.128952 44.7259 GPRESSAVG: 2873600 -8.61563 18.7461 23.4881 22.1215 -13.3295 -0.0848807 24.8065 -0.758996 44.8256 TIMING: 2873600 CPU: 8567.16, 0.00296212/step Wall: 8567.16, 0.00296212/step, 1.74963 hours remaining, 206.734375 MB of memory in use. ENERGY: 2873600 757.0494 2127.2083 1952.0948 111.5396 -206284.3443 17960.9411 0.0000 0.0000 34511.7569 -148863.7542 301.3998 -183375.5111 -148762.5800 300.2090 34.8021 66.3658 558251.2487 7.4257 7.6268 PRESSURE: 2873800 72.4817 157.829 -83.0753 157.83 -67.0503 -103.706 -83.0742 -103.705 144.414 GPRESSURE: 2873800 81.9839 133.996 -54.1416 154.301 -14.5613 -175.335 -55.1231 -97.4339 175.7 PRESSAVG: 2873800 -11.8503 28.1099 22.5338 28.11 122.527 -2.82138 22.5339 -2.82126 -117.793 GPRESSAVG: 2873800 -13.1681 27.4654 24.5595 25.5697 123.135 -2.02773 21.1993 -1.53387 -117.409 TIMING: 2873800 CPU: 8567.75, 0.00295256/step Wall: 8567.75, 0.00295256/step, 1.74382 hours remaining, 206.734375 MB of memory in use. ENERGY: 2873800 762.6036 2057.5763 1923.9178 116.5721 -206044.3617 17925.8995 0.0000 0.0000 34387.3901 -148870.4023 300.3136 -183257.7924 -148782.5847 300.4719 49.9485 81.0408 557643.0186 -2.3723 -2.4807 PRESSURE: 2874000 11.1774 210.186 -175.977 210.187 27.7064 33.1791 -175.978 33.1782 81.9871 GPRESSURE: 2874000 40.847 229.768 -134.902 274.273 81.011 -7.35655 -169.941 -28.9152 85.5284 PRESSAVG: 2874000 5.68556 76.3616 -38.4209 76.3616 -28.5078 65.6415 -38.4209 65.6418 11.5447 GPRESSAVG: 2874000 6.10938 78.1498 -38.0716 76.4828 -28.2956 63.6312 -39.7832 64.7017 10.8985 TIMING: 2874000 CPU: 8568.34, 0.00296532/step Wall: 8568.34, 0.00296532/step, 1.75118 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2874000 734.5253 2097.4508 1928.3310 112.8356 -205780.8443 17755.6317 0.0000 0.0000 34405.7863 -148746.2835 300.4743 -183152.0698 -148650.7936 300.3733 40.2903 69.1288 557706.0123 -3.7592 -3.7626 PRESSURE: 2874200 70.2361 165.849 -161.341 165.85 -41.4435 114.918 -161.341 114.92 -164.126 GPRESSURE: 2874200 87.6398 230.288 -145.946 68.9493 33.8746 70.9303 -284.979 113.248 -139.533 PRESSAVG: 2874200 24.8665 50.4214 -16.7415 50.4215 24.5503 41.9104 -16.7414 41.9103 -32.0395 GPRESSAVG: 2874200 24.6839 50.9957 -18.1208 50.3912 24.09 43.307 -16.1365 41.5825 -31.8199 TIMING: 2874200 CPU: 8568.94, 0.00295555/step Wall: 8568.94, 0.00295555/step, 1.74525 hours remaining, 206.734375 MB of memory in use. ENERGY: 2874200 761.7479 2058.5032 1945.7221 110.7245 -205910.1698 17598.9255 0.0000 0.0000 34681.5417 -148753.0048 302.8825 -183434.5465 -148655.1859 301.2414 -45.1112 -6.0062 555865.3372 5.7924 5.6514 PRESSURE: 2874400 -229.056 -60.3505 -227.829 -60.3515 250.175 75.4652 -227.829 75.466 200.958 GPRESSURE: 2874400 -175.371 -57.7722 -291.572 -134.316 295.211 21.7581 -272.724 6.38964 185.604 PRESSAVG: 2874400 0.404967 43.4225 -6.07159 43.4226 14.1908 38.7871 -6.07157 38.7872 35.5036 GPRESSAVG: 2874400 1.13766 42.5856 -5.92254 43.9522 14.112 38.3527 -6.39407 37.4444 34.9019 TIMING: 2874400 CPU: 8569.53, 0.00295569/step Wall: 8569.53, 0.00295569/step, 1.74517 hours remaining, 206.734375 MB of memory in use. ENERGY: 2874400 711.6938 2117.5616 1954.5218 116.3091 -205857.2587 17762.1952 0.0000 0.0000 34211.6092 -148983.3680 298.7785 -183194.9772 -148890.8596 299.9018 74.0256 101.8146 557652.5410 16.6998 16.7172 PRESSURE: 2874600 -62.4755 218.416 -134.912 218.415 48.4869 236.982 -134.912 236.98 71.5486 GPRESSURE: 2874600 -65.0957 130.729 -84.3641 290.799 118.45 293.859 -165.177 277.59 105.974 PRESSAVG: 2874600 10.0727 28.351 -9.21378 28.351 4.80917 20.0466 -9.21389 20.0467 -28.0846 GPRESSAVG: 2874600 9.89832 28.668 -8.04451 28.6101 4.74178 19.9239 -9.79182 21.1598 -27.4959 TIMING: 2874600 CPU: 8570.12, 0.00295602/step Wall: 8570.12, 0.00295602/step, 1.7452 hours remaining, 206.734375 MB of memory in use. ENERGY: 2874600 761.2159 2104.5200 1978.4519 118.2660 -206099.4170 17745.5430 0.0000 0.0000 34475.0442 -148916.3760 301.0791 -183391.4202 -148821.2406 300.9822 19.1867 53.1092 556392.5726 -4.4009 -4.2853 PRESSURE: 2874800 0.160544 26.5693 83.8008 26.5696 13.2815 47.7245 83.7993 47.7231 165.431 GPRESSURE: 2874800 42.727 14.4095 76.0933 -20.1428 -11.1619 2.8678 70.981 79.093 252.3 PRESSAVG: 2874800 -18.5332 35.3696 -33.787 35.3696 -33.8503 38.9092 -33.787 38.9092 57.0638 GPRESSAVG: 2874800 -19.6613 34.112 -36.8675 35.5178 -32.789 39.0154 -31.6158 38.9595 56.9632 TIMING: 2874800 CPU: 8570.7, 0.00293647/step Wall: 8570.7, 0.00293647/step, 1.7335 hours remaining, 206.734375 MB of memory in use. ENERGY: 2874800 734.9216 2131.0238 1955.6439 105.4836 -205759.7198 17525.5913 0.0000 0.0000 34479.8119 -148827.2436 301.1208 -183307.0555 -148726.0756 300.8841 59.6245 94.6217 556579.8160 1.5601 1.5043 PRESSURE: 2875000 64.9856 -62.3601 101.816 -62.3605 20.3403 -48.6941 101.817 -48.6939 -9.23158 GPRESSURE: 2875000 114.559 -23.9425 119.163 -87.1869 45.7537 -83.6193 147.311 -31.3641 17.6709 PRESSAVG: 2875000 46.2909 0.50914 43.8169 0.509047 55.079 -37.7811 43.8171 -37.781 -76.2708 GPRESSAVG: 2875000 46.5855 0.125591 44.3322 1.61182 55.4396 -36.7611 43.2496 -39.3525 -77.2442 TIMING: 2875000 CPU: 8571.29, 0.00293381/step Wall: 8571.29, 0.00293381/step, 1.73176 hours remaining, 206.734375 MB of memory in use. ENERGY: 2875000 757.2821 2092.9520 1940.0949 105.9484 -206187.4904 17984.0220 0.0000 0.0000 34275.7299 -149031.4612 299.3385 -183307.1910 -148930.8751 300.9110 25.3648 59.3278 557663.0557 8.3663 8.2603 PRESSURE: 2875200 228.587 108.392 -63.6721 108.392 196.624 64.0034 -63.6706 64.0068 67.7901 GPRESSURE: 2875200 293.916 50.8128 -95.0853 101.847 181.748 113.595 43.2519 -5.8735 102.732 PRESSAVG: 2875200 -55.7207 -49.7205 19.5708 -49.7205 127.1 -10.7269 19.5708 -10.727 -37.7248 GPRESSAVG: 2875200 -56.0959 -48.1374 20.0414 -51.5465 126.777 -12.423 21.4948 -8.34091 -37.8787 TIMING: 2875200 CPU: 8571.88, 0.00293942/step Wall: 8571.88, 0.00293942/step, 1.73491 hours remaining, 206.734375 MB of memory in use. ENERGY: 2875200 750.6348 2049.9160 1930.4547 118.2826 -206584.4772 18178.4834 0.0000 0.0000 34505.6121 -149051.0936 301.3461 -183556.7057 -148955.4205 300.4395 164.3337 192.7988 558636.9020 11.2182 10.9340 PRESSURE: 2875400 -210.512 5.56373 -57.1067 5.56353 -91.6376 55.0451 -57.1069 55.0456 -310.034 GPRESSURE: 2875400 -194.981 31.0221 -59.6228 14.235 -50.3829 2.97813 -77.4313 83.2229 -279.521 PRESSAVG: 2875400 -62.3514 -3.26922 0.563342 -3.26934 46.1045 28.2882 0.563314 28.2882 -20.8324 GPRESSAVG: 2875400 -62.9112 -2.26347 2.01476 -4.21289 45.8784 29.3808 -3.16268 27.9933 -19.6337 TIMING: 2875400 CPU: 8572.47, 0.00293759/step Wall: 8572.47, 0.00293759/step, 1.73367 hours remaining, 206.734375 MB of memory in use. ENERGY: 2875400 749.9190 2097.1956 1960.9546 103.6515 -206151.8724 17730.0522 0.0000 0.0000 34278.2594 -149231.8401 299.3606 -183510.0995 -149147.2792 299.6741 -204.0612 -174.9615 559067.2380 -12.3597 -12.2221 PRESSURE: 2875600 -34.8133 281.048 -29.9691 281.048 -63.5863 58.5033 -29.9695 58.5035 -56.0964 GPRESSURE: 2875600 -55.2971 268.208 99.4932 295.156 -16.1687 16.7235 -131.629 86.6072 6.93737 PRESSAVG: 2875600 23.2996 13.0854 3.16672 13.0854 7.74611 40.2173 3.16666 40.2174 -23.2433 GPRESSAVG: 2875600 23.1115 11.8276 3.69037 15.5481 8.66417 40.5083 3.75208 40.9125 -23.8085 TIMING: 2875600 CPU: 8573.06, 0.00295021/step Wall: 8573.06, 0.00295021/step, 1.74095 hours remaining, 206.734375 MB of memory in use. ENERGY: 2875600 693.3851 2075.1337 1946.1673 119.4847 -206284.8975 17755.8648 0.0000 0.0000 34303.5365 -149391.3255 299.5813 -183694.8620 -149291.2288 298.8791 -51.4987 -21.5095 557522.1063 2.6008 2.6557 PRESSURE: 2875800 49.5749 175.81 5.45442 175.809 257.725 17.5856 5.45527 17.5872 87.2748 GPRESSURE: 2875800 46.0034 169.469 83.712 98.6946 305.995 151.678 25.992 -20.8478 152.116 PRESSAVG: 2875800 -27.6829 34.3184 26.6377 34.3184 59.1776 33.2779 26.6378 33.2778 -23.0829 GPRESSAVG: 2875800 -26.7905 34.7123 25.0992 32.4461 59.1876 32.2833 27.4752 32.759 -23.7436 TIMING: 2875800 CPU: 8573.65, 0.00295781/step Wall: 8573.65, 0.00295781/step, 1.74527 hours remaining, 206.734375 MB of memory in use. ENERGY: 2875800 754.3112 2053.1578 1922.3497 102.6194 -206347.3185 17885.1485 0.0000 0.0000 34276.2554 -149353.4765 299.3431 -183629.7318 -149247.5485 298.7826 131.5251 168.0381 557587.8280 2.8039 2.8845 PRESSURE: 2876000 -167.062 3.72036 50.6697 3.71982 -204.362 8.63041 50.6693 8.63053 -269.932 GPRESSURE: 2876000 -87.5105 -75.5895 77.0079 -25.6592 -220.534 12.7201 21.3929 -115.037 -239.99 PRESSAVG: 2876000 47.3625 34.1748 -1.78555 34.1748 -29.3919 -36.1349 -1.78553 -36.1349 -60.2486 GPRESSAVG: 2876000 48.3763 32.6751 -1.69367 34.9095 -30.8882 -37.1726 -2.33738 -37.0292 -59.6352 TIMING: 2876000 CPU: 8574.24, 0.0029798/step Wall: 8574.24, 0.0029798/step, 1.75808 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2876000 813.3881 2081.7117 1939.7070 116.9475 -206174.1175 17635.9612 0.0000 0.0000 34326.1555 -149260.2465 299.7789 -183586.4019 -149160.2519 298.5152 -213.7851 -182.6783 557294.3862 -14.0927 -14.0490 PRESSURE: 2876200 -41.1531 -100.63 132.407 -100.63 -92.0419 -90.6857 132.407 -90.6851 -11.7819 GPRESSURE: 2876200 10.7383 -242.458 100.532 -73.8652 -112.36 -119.599 104.563 -85.0301 60.4381 PRESSAVG: 2876200 -0.354871 -10.4673 18.1588 -10.4673 -63.2418 -50.1163 18.1588 -50.1163 35.4603 GPRESSAVG: 2876200 0.214508 -9.09356 18.1673 -10.9969 -62.9069 -49.5169 17.9504 -52.616 34.873 TIMING: 2876200 CPU: 8574.84, 0.00296046/step Wall: 8574.84, 0.00296046/step, 1.74651 hours remaining, 206.734375 MB of memory in use. ENERGY: 2876200 741.9731 2065.9431 1947.1634 117.2575 -206149.5561 17687.7959 0.0000 0.0000 34243.2571 -149346.1662 299.0549 -183589.4232 -149249.1826 299.3823 -48.3257 -13.7277 558048.6377 -9.3788 -9.2731 LDB: ============= START OF LOAD BALANCING ============== 8578.38 LDB: ============== END OF LOAD BALANCING =============== 8578.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8578.38 LDB: ============= START OF LOAD BALANCING ============== 8578.68 LDB: Largest compute 4773 load 0.026981 is 22.8% of average load 0.118178 LDB: Average compute 0.001740 is 1.5% of average load 0.118178 LDB: TIME 8578.68 LOAD: AVG 0.118178 MAX 0.201323 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 8578.68 LOAD: AVG 0.118178 MAX 0.201323 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.703 MB LDB: TIME 8578.68 LOAD: AVG 0.118178 MAX 0.201323 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.703 MB LDB: ============== END OF LOAD BALANCING =============== 8578.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8578.69 PRESSURE: 2876400 -127.589 0.119312 -4.36892 0.118407 -159.569 -118.118 -4.36899 -118.118 90.0987 GPRESSURE: 2876400 -107.205 -13.5817 -68.9617 -63.1391 -94.6274 -20.5605 -45.4902 -95.6037 105.254 PRESSAVG: 2876400 5.70237 -44.6078 -39.2328 -44.6078 17.203 34.8505 -39.2327 34.8505 20.4186 GPRESSAVG: 2876400 3.58619 -44.8204 -40.7274 -45.7131 18.8173 34.2394 -37.0024 40.1593 20.8369 TIMING: 2876400 CPU: 8575.44, 0.00299751/step Wall: 8575.44, 0.00299751/step, 1.7682 hours remaining, 206.222656 MB of memory in use. ENERGY: 2876400 747.8014 2067.6832 1936.2862 110.2939 -206086.5225 17617.3550 0.0000 0.0000 34035.6523 -149571.4504 297.2418 -183607.1027 -149477.7204 298.4482 -65.6864 -32.1928 556802.8342 14.4413 14.4135 PRESSURE: 2876600 51.4668 -33.2196 -162.89 -33.2186 -7.28597 114.569 -162.889 114.569 -264.022 GPRESSURE: 2876600 114.816 63.7347 -133.933 -103.048 46.136 109.759 -184.499 221.663 -287.408 PRESSAVG: 2876600 -0.94714 -8.84626 -29.2629 -8.84633 18.2654 -18.6605 -29.2629 -18.6606 -9.75295 GPRESSAVG: 2876600 0.578678 -8.2634 -28.5085 -8.85668 17.5904 -18.7215 -31.4494 -20.0311 -10.8294 TIMING: 2876600 CPU: 8576.03, 0.00295273/step Wall: 8576.03, 0.00295273/step, 1.74162 hours remaining, 206.222656 MB of memory in use. ENERGY: 2876600 741.1036 2125.6939 1916.5711 116.4997 -206242.2344 17776.8305 0.0000 0.0000 34044.0587 -149521.4770 297.3152 -183565.5357 -149425.4438 298.4878 -73.2803 -42.1521 556862.5570 2.5218 2.4466 PRESSURE: 2876800 -171.367 23.1339 -29.8346 23.1331 -88.6191 -10.0412 -29.8352 -10.0422 129.129 GPRESSURE: 2876800 -106.137 64.5468 -46.031 -42.6406 -67.7616 70.7985 19.4905 -63.8603 149.997 PRESSAVG: 2876800 21.2062 19.8479 9.34363 19.8481 -12.8128 -28.7771 9.34351 -28.7771 16.5848 GPRESSAVG: 2876800 20.8039 18.6967 10.3402 21.0863 -11.8499 -27.6492 9.3377 -29.3077 16.4338 TIMING: 2876800 CPU: 8576.62, 0.00295007/step Wall: 8576.62, 0.00295007/step, 1.73989 hours remaining, 206.222656 MB of memory in use. ENERGY: 2876800 749.5693 2054.6455 1937.3328 115.2724 -206578.9415 17892.4364 0.0000 0.0000 34264.5580 -149565.1272 299.2409 -183829.6851 -149479.2463 299.0855 -43.6192 -7.9675 556173.0538 8.3261 8.4626 PRESSURE: 2877000 41.5985 -25.8008 8.39766 -25.8007 198.693 52.1116 8.39767 52.1129 -156.329 GPRESSURE: 2877000 41.8149 89.4678 -19.4832 10.361 241.369 -11.0196 32.6517 51.5414 -99.0708 PRESSAVG: 2877000 21.9941 10.801 37.9193 10.8009 -19.2486 -11.5221 37.9194 -11.5221 -6.01888 GPRESSAVG: 2877000 20.7 11.1826 36.3173 10.2044 -19.9656 -11.6777 40.052 -11.6614 -4.24796 TIMING: 2877000 CPU: 8577.2, 0.00292163/step Wall: 8577.2, 0.00292163/step, 1.72295 hours remaining, 206.222656 MB of memory in use. ENERGY: 2877000 707.9163 2111.0985 1934.8395 110.2074 -206394.3231 17833.0794 0.0000 0.0000 34242.6774 -149454.5046 299.0498 -183697.1820 -149353.5258 298.6413 27.9876 61.3711 557397.1794 -1.0911 -1.1712 PRESSURE: 2877200 65.5105 16.7452 -187.305 16.7439 -155.205 -25.5172 -187.305 -25.5164 94.458 GPRESSURE: 2877200 116.55 25.3851 -204.787 51.988 -124.123 16.1498 -102.115 -41.6623 122.456 PRESSAVG: 2877200 -14.7263 68.2584 -10.5618 68.2583 -3.02199 11.5923 -10.5618 11.5923 42.7335 GPRESSAVG: 2877200 -15.3192 67.4442 -9.89968 70.1914 -3.36304 11.885 -11.6804 11.0863 43.3672 TIMING: 2877200 CPU: 8577.78, 0.00291511/step Wall: 8577.78, 0.00291511/step, 1.71894 hours remaining, 206.222656 MB of memory in use. ENERGY: 2877200 750.9142 2074.1353 1921.9660 116.3751 -206421.1664 17873.6674 0.0000 0.0000 34467.0700 -149217.0384 301.0095 -183684.1084 -149124.4064 298.9403 1.5880 38.2942 557218.4033 8.3284 8.2283 PRESSURE: 2877400 -299.237 68.845 -143.047 68.8459 -122.73 2.33375 -143.047 2.33502 -65.2025 GPRESSURE: 2877400 -247.327 10.1479 -118.731 143.192 -115.465 -15.9162 -97.8701 -78.5192 -31.2557 PRESSAVG: 2877400 -25.518 58.7547 -59.8578 58.7547 18.203 -30.2073 -59.8578 -30.2074 -7.48782 GPRESSAVG: 2877400 -25.0852 60.4614 -59.8882 57.3779 19.0427 -30.8334 -60.6825 -29.5832 -9.08257 TIMING: 2877400 CPU: 8578.37, 0.00292593/step Wall: 8578.37, 0.00292593/step, 1.72516 hours remaining, 206.261719 MB of memory in use. ENERGY: 2877400 764.2193 2117.5676 1914.3692 110.3804 -206129.2929 17703.9911 0.0000 0.0000 34495.5804 -149023.1849 301.2585 -183518.7653 -148922.9084 300.1244 -162.3900 -131.3493 557419.7710 -4.9343 -5.0417 PRESSURE: 2877600 -26.8103 10.3185 -68.5523 10.3192 225.791 84.1633 -68.5515 84.1621 55.6899 GPRESSURE: 2877600 42.0017 35.0941 -64.1335 92.2581 240.355 116.757 -102.637 89.2191 76.4222 PRESSAVG: 2877600 -65.1112 47.364 -7.84025 47.3641 45.5781 29.2002 -7.84033 29.2002 23.8846 GPRESSAVG: 2877600 -64.056 47.4963 -8.461 46.604 43.9606 29.9397 -5.55307 28.7326 24.5615 TIMING: 2877600 CPU: 8578.96, 0.00294674/step Wall: 8578.96, 0.00294674/step, 1.73727 hours remaining, 206.261719 MB of memory in use. ENERGY: 2877600 763.5762 2104.1748 1934.8973 129.2422 -205710.8087 17656.4449 0.0000 0.0000 34245.0839 -148877.3892 299.0708 -183122.4731 -148774.4838 300.2714 84.8901 119.5928 555839.0530 1.4505 1.4887 PRESSURE: 2877800 -181.641 3.68362 -183.001 3.68441 117.726 -31.4855 -183 -31.4847 82.0484 GPRESSURE: 2877800 -141.298 164.311 -185.205 -94.4698 129.067 -34.7665 -174.679 -46.2885 125.422 PRESSAVG: 2877800 -83.4207 -11.98 -9.17804 -11.98 67.1294 -46.824 -9.17801 -46.8241 19.2824 GPRESSAVG: 2877800 -83.6468 -11.3016 -8.49084 -12.8976 68.7667 -46.1146 -10.6442 -48.6521 18.4427 TIMING: 2877800 CPU: 8579.55, 0.00297531/step Wall: 8579.55, 0.00297531/step, 1.75395 hours remaining, 206.261719 MB of memory in use. ENERGY: 2877800 739.4284 2066.8636 1938.6181 107.2348 -205801.9441 17787.9337 0.0000 0.0000 34222.5000 -148939.3655 298.8736 -183161.8655 -148843.2455 300.2310 6.0445 37.7302 556785.7450 0.9970 1.1875 PRESSURE: 2878000 -103.253 -12.383 140.325 -12.3821 167.432 50.2699 140.326 50.2701 74.8291 GPRESSURE: 2878000 -86.5718 -78.6108 178.482 17.7458 188.565 51.9434 58.6681 27.122 144.599 PRESSAVG: 2878000 -19.4351 31.8531 20.2774 31.8531 8.26606 -8.95508 20.2774 -8.95506 43.9549 GPRESSAVG: 2878000 -18.7557 29.9156 20.7352 32.7855 7.65512 -9.45002 19.7976 -7.47607 44.3528 TIMING: 2878000 CPU: 8580.15, 0.00295854/step Wall: 8580.15, 0.00295854/step, 1.7439 hours remaining, 206.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2878000 786.1718 2105.8681 1932.2275 112.9924 -206236.3194 17913.6663 0.0000 0.0000 34505.3032 -148880.0902 301.3434 -183385.3934 -148790.3511 300.3946 46.3359 82.1975 556755.0775 10.9286 11.0841 PRESSURE: 2878200 103.885 -37.8839 155.272 -37.8847 -81.7776 6.77364 155.273 6.77292 134.855 GPRESSURE: 2878200 125.352 -116.215 121.164 -48.3533 -41.0578 -128.062 205.919 88.2644 167.925 PRESSAVG: 2878200 -5.95866 -56.8532 10.6248 -56.8532 -28.2508 -4.60884 10.6248 -4.60885 51.1954 GPRESSAVG: 2878200 -7.77397 -55.8384 10.2485 -56.1512 -26.9243 -6.27639 9.7328 -2.48064 51.1618 TIMING: 2878200 CPU: 8580.74, 0.0029606/step Wall: 8580.74, 0.0029606/step, 1.74494 hours remaining, 206.261719 MB of memory in use. ENERGY: 2878200 736.4952 2083.2829 1955.0283 123.0846 -206322.1751 17822.3415 0.0000 0.0000 34582.4055 -149019.5371 302.0167 -183601.9426 -148927.2062 300.5028 52.3210 84.0731 555804.6889 5.6620 5.4878 PRESSURE: 2878400 137.306 -23.6641 -20.1579 -23.6652 -39.1258 -17.2763 -20.1574 -17.2782 185.456 GPRESSURE: 2878400 149.614 65.7818 17.3668 -16.9215 38.0743 -40.0486 -81.5222 -15.1622 200.287 PRESSAVG: 2878400 -21.9204 -39.3837 -39.1762 -39.3837 -50.9759 10.0811 -39.1763 10.081 55.9774 GPRESSAVG: 2878400 -20.6162 -39.8244 -39.8096 -39.4112 -51.8411 10.1391 -38.5015 10.2922 55.9443 TIMING: 2878400 CPU: 8581.33, 0.0029664/step Wall: 8581.33, 0.0029664/step, 1.7482 hours remaining, 206.261719 MB of memory in use. ENERGY: 2878400 764.0584 2095.2888 1959.8577 123.6356 -206108.4816 17865.9950 0.0000 0.0000 34164.0748 -149135.5714 298.3634 -183299.6462 -149041.6946 299.6022 94.5454 129.3251 555973.0337 -5.6396 -5.5043 PRESSURE: 2878600 -123.424 11.2053 29.7566 11.2049 192.694 -50.3451 29.7568 -50.3448 -110.902 GPRESSURE: 2878600 -56.8188 9.74342 10.0693 68.2027 231.969 -6.31714 67.2124 -70.1676 -112.102 PRESSAVG: 2878600 9.75525 16.5786 36.0374 16.5787 16.1868 11.156 36.0374 11.1561 22.006 GPRESSAVG: 2878600 9.79976 17.5556 33.3366 15.658 16.7113 11.2463 36.4932 10.2324 21.9695 TIMING: 2878600 CPU: 8581.93, 0.00297616/step Wall: 8581.93, 0.00297616/step, 1.75379 hours remaining, 206.261719 MB of memory in use. ENERGY: 2878600 734.8225 2150.8244 1943.7294 129.6057 -206017.2074 17725.5138 0.0000 0.0000 34230.8864 -149101.8252 298.9468 -183332.7116 -149006.1842 299.1654 -13.8774 21.0162 556341.5287 15.9827 16.1602 PRESSURE: 2878800 -337.841 -207.835 -44.0311 -207.835 -173.681 -218.026 -44.0307 -218.026 -159.055 GPRESSURE: 2878800 -322.561 -215.137 -102.856 -277.399 -166.814 -167.533 46.4635 -178.81 -79.5871 PRESSAVG: 2878800 -46.4377 33.5303 21.5346 33.5303 26.2001 -29.8662 21.5347 -29.8663 -27.6145 GPRESSAVG: 2878800 -46.9007 32.4235 24.8026 32.8372 25.953 -29.9821 22.8474 -30.0007 -27.1242 TIMING: 2878800 CPU: 8582.52, 0.00296351/step Wall: 8582.52, 0.00296351/step, 1.74617 hours remaining, 206.261719 MB of memory in use. ENERGY: 2878800 783.7622 2132.1296 1948.4128 119.4630 -206010.4200 17483.7962 0.0000 0.0000 34392.0363 -149150.8198 300.3542 -183542.8562 -149055.8765 299.8169 -223.5257 -189.6539 557101.9106 -15.9507 -16.0240 PRESSURE: 2879000 216.788 -16.6048 -0.539435 -16.6045 -183.789 14.2147 -0.539009 14.2127 -110.591 GPRESSURE: 2879000 204.862 -22.8741 -88.3548 42.0715 -126.23 -71.8834 89.9326 -9.72026 -68.4468 PRESSAVG: 2879000 -6.37924 -7.37047 43.1203 -7.37052 -7.56008 -31.1281 43.1203 -31.128 32.578 GPRESSAVG: 2879000 -6.12643 -7.69371 44.3206 -6.48767 -6.1877 -30.9166 40.9264 -30.8383 31.3195 TIMING: 2879000 CPU: 8583.11, 0.00296841/step Wall: 8583.11, 0.00296841/step, 1.74889 hours remaining, 206.261719 MB of memory in use. ENERGY: 2879000 734.7051 2112.1762 1958.6051 126.7775 -206206.1278 17839.1645 0.0000 0.0000 34411.5204 -149023.1789 300.5244 -183434.6993 -148924.1506 300.1759 -25.8637 3.3951 558537.7213 6.2129 6.3351 PRESSURE: 2879200 155.282 149.788 -207.252 149.788 275.194 12.2133 -207.252 12.2108 179.373 GPRESSURE: 2879200 164.443 184.203 -244.151 146.499 319.196 41.8059 -130.923 63.7207 226.736 PRESSAVG: 2879200 23.9432 -18.8772 -0.897074 -18.8772 -22.8953 -16.3308 -0.897129 -16.331 -3.15135 GPRESSAVG: 2879200 23.598 -19.7968 -1.46867 -16.7685 -24.0162 -15.247 0.384974 -16.1654 -2.0878 TIMING: 2879200 CPU: 8583.7, 0.00294216/step Wall: 8583.7, 0.00294216/step, 1.73326 hours remaining, 206.261719 MB of memory in use. ENERGY: 2879200 725.8607 2045.5380 1950.4513 113.9468 -206114.9446 18037.1288 0.0000 0.0000 34145.9884 -149096.0305 298.2054 -183242.0189 -149000.9244 299.2018 203.2830 236.7917 556970.5226 -0.7011 -0.8353 PRESSURE: 2879400 69.8663 -165.478 116.337 -165.478 27.537 -144.99 116.337 -144.99 -49.6328 GPRESSURE: 2879400 95.2813 -177.096 147.501 -107.837 42.077 -135.594 65.6783 -141.828 19.5346 PRESSAVG: 2879400 -36.3869 -27.9693 -25.9795 -27.9693 18.9197 -5.26303 -25.9795 -5.26307 3.38746 GPRESSAVG: 2879400 -36.0807 -28.6557 -28.1211 -29.1566 19.9836 -7.50617 -25.5272 -5.08668 2.38127 TIMING: 2879400 CPU: 8584.29, 0.00294865/step Wall: 8584.29, 0.00294865/step, 1.73692 hours remaining, 206.261719 MB of memory in use. ENERGY: 2879400 753.7866 2102.5024 1953.6204 111.4070 -206040.4797 17839.0497 0.0000 0.0000 34430.4563 -148849.6574 300.6897 -183280.1137 -148748.2321 300.2441 15.9235 52.2976 558851.0681 -4.6932 -4.5719 PRESSURE: 2879600 -118.162 166.477 -99.5976 166.478 -54.2766 2.56411 -99.5975 2.56291 -144.758 GPRESSURE: 2879600 -63.582 144.534 -76.1821 215.952 -74.1742 84.0256 -93.4974 -44.3186 -86.8038 PRESSAVG: 2879600 -18.3894 -42.5956 29.5894 -42.5955 54.8511 -30.2129 29.5893 -30.2128 29.249 GPRESSAVG: 2879600 -17.5345 -41.7751 31.992 -41.2335 53.1197 -26.9646 28.8583 -31.1867 29.5795 TIMING: 2879600 CPU: 8584.88, 0.00293774/step Wall: 8584.88, 0.00293774/step, 1.73033 hours remaining, 206.261719 MB of memory in use. ENERGY: 2879600 782.2170 2095.5234 1954.3591 110.0058 -206198.5757 17688.7183 0.0000 0.0000 34437.4792 -149130.2728 300.7511 -183567.7521 -149033.6366 299.9882 -105.7323 -74.8533 557994.3070 21.9036 21.7216 PRESSURE: 2879800 120.391 -2.64239 -72.0555 -2.64239 18.5714 229.384 -72.0559 229.383 169.14 GPRESSURE: 2879800 194.112 54.5317 -92.415 -18.457 23.7172 116.461 6.96954 190.948 194.449 PRESSAVG: 2879800 18.7913 -4.76068 -28.1796 -4.76069 30.2464 7.24669 -28.1796 7.24677 -33.1524 GPRESSAVG: 2879800 17.8233 -4.96896 -31.504 -6.8029 32.4287 4.77897 -29.1214 5.48796 -34.2911 TIMING: 2879800 CPU: 8585.47, 0.00294798/step Wall: 8585.47, 0.00294798/step, 1.7362 hours remaining, 206.261719 MB of memory in use. ENERGY: 2879800 724.6204 2087.2389 1926.5260 117.6380 -206179.4243 17827.0270 0.0000 0.0000 34438.2352 -149058.1388 300.7577 -183496.3740 -148961.1798 299.9596 102.7007 137.4262 556944.5108 5.2951 5.3203 PRESSURE: 2880000 -183.385 -123.566 70.8815 -123.566 100.313 -37.9179 70.8809 -37.9193 -87.1404 GPRESSURE: 2880000 -171.087 -235.131 -31.758 -73.6863 84.1421 -35.7715 71.6488 -44.0504 15.3279 PRESSAVG: 2880000 20.0776 -51.5816 21.1823 -51.5816 19.4091 -15.0672 21.1824 -15.0672 -56.2016 GPRESSAVG: 2880000 20.2258 -50.2391 21.0047 -51.5979 18.0561 -14.671 21.6392 -12.4256 -55.0485 TIMING: 2880000 CPU: 8586.05, 0.00293652/step Wall: 8586.05, 0.00293652/step, 1.72928 hours remaining, 206.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2880000 747.6759 2077.5863 1938.5861 108.7767 -205790.5654 17540.0421 0.0000 0.0000 34370.5061 -149007.3923 300.1662 -183377.8984 -148909.1875 299.4040 -56.7372 -23.8723 557285.5723 -5.5717 -5.5889 PRESSURE: 2880200 -113.355 -115.388 -37.0261 -115.388 -293.523 41.4953 -37.0269 41.4941 -65.1911 GPRESSURE: 2880200 -75.2754 -103.756 -79.2636 -101.692 -257.671 40.6646 34.0207 -20.8665 -40.7253 PRESSAVG: 2880200 -3.75112 -56.4691 61.9964 -56.4691 22.4667 -7.03805 61.9965 -7.03809 -4.38702 GPRESSAVG: 2880200 -1.62742 -55.384 64.0208 -59.8981 21.5715 -6.88341 63.2253 -7.14653 -5.30536 TIMING: 2880200 CPU: 8586.64, 0.00293046/step Wall: 8586.64, 0.00293046/step, 1.72556 hours remaining, 206.261719 MB of memory in use. ENERGY: 2880200 744.8505 2121.8476 1942.1093 114.0406 -205875.0916 17540.7146 0.0000 0.0000 34228.4638 -149183.0652 298.9257 -183411.5290 -149087.9278 299.8489 -157.3564 -124.5571 557512.2090 4.7762 4.8796 LDB: ============= START OF LOAD BALANCING ============== 8590.18 LDB: ============== END OF LOAD BALANCING =============== 8590.18 LDB: =============== DONE WITH MIGRATION ================ 8590.19 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 8590.48 LDB: Largest compute 4773 load 0.028470 is 24.1% of average load 0.118268 LDB: Average compute 0.001740 is 1.5% of average load 0.118268 LDB: TIME 8590.48 LOAD: AVG 0.118268 MAX 0.198804 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 8590.48 LOAD: AVG 0.118268 MAX 0.198804 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: TIME 8590.48 LOAD: AVG 0.118268 MAX 0.198804 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: ============== END OF LOAD BALANCING =============== 8590.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8590.49 PRESSURE: 2880400 -105.992 -73.1391 15.3897 -73.1399 171.241 39.3972 15.3897 39.3975 97.1655 GPRESSURE: 2880400 -69.0728 -84.0486 -62.4896 4.69025 180.286 15.3183 20.2973 83.6713 136.837 PRESSAVG: 2880400 18.4108 -69.2975 15.3137 -69.2976 1.56454 -8.57069 15.3137 -8.57076 -62.8353 GPRESSAVG: 2880400 16.833 -70.6029 14.6395 -66.7821 2.80923 -9.52098 14.7847 -6.67232 -62.5008 TIMING: 2880400 CPU: 8587.24, 0.00297098/step Wall: 8587.24, 0.00297098/step, 1.74925 hours remaining, 206.535156 MB of memory in use. ENERGY: 2880400 753.0212 2092.5036 1938.2079 116.1628 -206366.8604 17849.9345 0.0000 0.0000 34360.4897 -149256.5407 300.0787 -183617.0304 -149159.9774 299.8287 54.1382 82.6835 555828.0733 -14.2867 -14.2862 PRESSURE: 2880600 172.692 -23.0229 -38.5076 -23.0241 137.535 169.662 -38.5078 169.661 67.5643 GPRESSURE: 2880600 201.917 42.2352 -120.784 -54.2596 162.132 230.611 -5.26725 138.563 127.102 PRESSAVG: 2880600 -1.05037 -15.7532 7.90576 -15.7534 21.7775 41.1484 7.90579 41.1483 -15.1995 GPRESSAVG: 2880600 0.0450887 -16.4533 8.71149 -15.409 21.7861 41.1296 8.01454 38.1439 -16.3695 TIMING: 2880600 CPU: 8587.82, 0.00294462/step Wall: 8587.82, 0.00294462/step, 1.73356 hours remaining, 206.535156 MB of memory in use. ENERGY: 2880600 721.4417 2078.6966 1964.6816 125.7766 -206475.8408 18025.5801 0.0000 0.0000 34334.2125 -149225.4516 299.8492 -183559.6641 -149126.4264 299.6448 125.9304 163.7173 555797.0578 1.8425 1.8206 PRESSURE: 2880800 -67.6683 73.6729 -178.443 73.6738 144.234 47.7086 -178.441 47.7093 25.7164 GPRESSURE: 2880800 20.2908 67.911 -203.339 200.845 213.998 33.3322 -111.522 136.4 -27.4517 PRESSAVG: 2880800 -9.77355 29.6973 -63.7623 29.6972 41.1596 -31.5739 -63.7622 -31.574 -45.8501 GPRESSAVG: 2880800 -10.1631 31.6055 -64.1956 29.5889 40.4579 -29.8652 -63.6312 -31.0875 -44.8959 TIMING: 2880800 CPU: 8588.41, 0.0029234/step Wall: 8588.41, 0.0029234/step, 1.72091 hours remaining, 206.535156 MB of memory in use. ENERGY: 2880800 751.5692 2094.5234 1950.5600 117.0513 -206336.4934 17782.6053 0.0000 0.0000 34458.3182 -149181.8661 300.9331 -183640.1842 -149089.5159 299.7815 34.0942 68.9456 554325.8389 -4.8214 -4.8670 PRESSURE: 2881000 47.9559 -53.4483 -42.8132 -53.4477 255.699 -103.994 -42.8122 -103.995 82.6801 GPRESSURE: 2881000 162.752 24.0331 -1.50776 -49.2519 280.995 -56.2894 -59.6522 -29.215 17.6743 PRESSAVG: 2881000 68.434 27.2951 -3.09535 27.295 57.0097 37.1234 -3.09541 37.1234 -134.167 GPRESSAVG: 2881000 68.6028 26.9393 -2.02077 27.6167 56.3954 34.4839 -3.12156 40.8234 -133.641 TIMING: 2881000 CPU: 8588.99, 0.00292743/step Wall: 8588.99, 0.00292743/step, 1.72312 hours remaining, 206.535156 MB of memory in use. ENERGY: 2881000 728.9859 2051.0622 1963.6974 119.4227 -206464.9755 17926.5612 0.0000 0.0000 34701.7667 -148973.4793 303.0592 -183675.2460 -148873.4645 300.3394 128.7784 153.8071 556482.9058 -2.9077 -2.8809 PRESSURE: 2881200 -213.656 64.4821 43.1156 64.4798 -25.6459 -13.5206 43.1164 -13.5218 -109.723 GPRESSURE: 2881200 -133.226 101.101 40.7577 70.6679 -47.5404 -6.34346 44.6006 -112.917 -80.9171 PRESSAVG: 2881200 32.6786 22.2676 8.37022 22.2677 -25.1885 2.15844 8.37027 2.15844 -31.1039 GPRESSAVG: 2881200 31.8059 21.8233 6.71723 24.017 -24.1866 2.66598 7.7922 -1.61759 -30.8643 TIMING: 2881200 CPU: 8589.59, 0.00297143/step Wall: 8589.59, 0.00297143/step, 1.74885 hours remaining, 206.535156 MB of memory in use. ENERGY: 2881200 745.4539 2078.7774 1949.4283 97.5181 -205795.9144 17428.0594 0.0000 0.0000 34422.6588 -149074.0186 300.6216 -183496.6774 -148979.4743 300.3983 -116.3417 -87.2277 558405.1454 -7.8713 -7.7483 PRESSURE: 2881400 -121.172 78.0266 -0.800077 78.0269 -71.2322 -81.8266 -0.798298 -81.8298 -22.4173 GPRESSURE: 2881400 -31.7223 46.0018 28.1799 73.8816 -67.8454 -77.3495 -44.761 -125.332 -21.2738 PRESSAVG: 2881400 16.7279 -24.8907 -9.10387 -24.8907 34.7988 4.72844 -9.10394 4.72847 -21.0228 GPRESSAVG: 2881400 17.2297 -24.5036 -7.29193 -24.9135 34.2498 5.94184 -10.9267 4.90565 -20.9927 TIMING: 2881400 CPU: 8590.18, 0.0029727/step Wall: 8590.18, 0.0029727/step, 1.74943 hours remaining, 206.535156 MB of memory in use. ENERGY: 2881400 750.5353 2074.6862 1944.8094 113.5527 -205662.5946 17397.0285 0.0000 0.0000 34361.7757 -149020.2066 300.0899 -183381.9823 -148920.5804 300.4676 -71.6070 -40.2805 556292.6726 10.1680 10.1623 PRESSURE: 2881600 -259.421 -99.3511 -62.2702 -99.3519 -301.85 -179.217 -62.271 -179.217 -378.607 GPRESSURE: 2881600 -198.337 -136.25 76.1523 -123.768 -302.168 -162.667 -76.9081 -109.495 -338.944 PRESSAVG: 2881600 38.278 17.5193 -24.1302 17.5192 -94.9867 51.2924 -24.1301 51.2923 -16.4489 GPRESSAVG: 2881600 38.0921 15.8225 -25.6396 17.579 -93.7407 52.2205 -22.8473 51.8977 -16.4862 TIMING: 2881600 CPU: 8590.78, 0.00295993/step Wall: 8590.78, 0.00295993/step, 1.74175 hours remaining, 206.535156 MB of memory in use. ENERGY: 2881600 740.6840 2078.9939 1965.2733 112.2077 -205511.1462 17284.6088 0.0000 0.0000 34306.8048 -149022.5737 299.6099 -183329.3785 -148921.6588 300.6828 -313.2924 -279.8163 558607.8208 -24.3859 -24.0449 PRESSURE: 2881800 129.174 -40.7768 -53.9686 -40.7767 240.545 41.4744 -53.9682 41.4754 -271.58 GPRESSURE: 2881800 162.639 -70.5761 -16.4442 -62.3518 312.915 25.973 -56.1196 14.536 -266.992 PRESSAVG: 2881800 12.828 2.3827 0.694726 2.38269 -25.1256 39.0863 0.694596 39.0863 -16.1759 GPRESSAVG: 2881800 13.5108 4.04884 0.358662 0.622258 -24.4952 38.1539 1.24914 39.0958 -17.4519 TIMING: 2881800 CPU: 8591.37, 0.00296065/step Wall: 8591.37, 0.00296065/step, 1.74201 hours remaining, 206.535156 MB of memory in use. ENERGY: 2881800 719.8008 2097.6800 1950.5510 98.1286 -206067.7723 17740.1167 0.0000 0.0000 34257.9744 -149203.5208 299.1834 -183461.4952 -149106.7031 300.0434 32.7130 69.5207 558121.8131 -9.4912 -9.4788 PRESSURE: 2882000 23.4643 -215.411 143.293 -215.41 240.043 14.6789 143.293 14.6787 215.01 GPRESSURE: 2882000 57.5061 -155.099 58.2786 -191.802 254.547 33.173 202.122 -18.3563 258.858 PRESSAVG: 2882000 55.6049 -9.43377 -6.57181 -9.43378 -7.76292 -23.1382 -6.57182 -23.1382 -17.0168 GPRESSAVG: 2882000 54.9221 -8.38803 -3.89212 -7.2917 -9.06762 -21.2222 -6.90431 -23.3956 -14.694 TIMING: 2882000 CPU: 8591.96, 0.00295353/step Wall: 8591.96, 0.00295353/step, 1.73766 hours remaining, 206.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2882000 682.3216 2094.1022 1932.4765 120.3573 -206358.0576 17999.7225 0.0000 0.0000 34365.6527 -149163.4249 300.1238 -183529.0775 -149068.1301 299.5015 159.5058 190.3036 557721.6602 10.2750 10.3868 PRESSURE: 2882200 -43.1104 119.115 -170.305 119.117 -1.92438 46.6966 -170.305 46.6964 192.094 GPRESSURE: 2882200 32.091 51.9086 -179.424 126.182 58.3694 76.4306 -118.626 -3.61293 157.68 PRESSAVG: 2882200 45.9705 5.92305 53.9715 5.92302 -14.4438 64.2062 53.9714 64.2063 -2.4728 GPRESSAVG: 2882200 47.1298 4.37794 52.0895 3.76161 -13.2409 62.0355 54.7923 64.5923 -4.97756 TIMING: 2882200 CPU: 8592.55, 0.00295505/step Wall: 8592.55, 0.00295505/step, 1.73839 hours remaining, 206.535156 MB of memory in use. ENERGY: 2882200 777.4163 2138.0645 1943.6152 111.7440 -206493.7772 17998.0084 0.0000 0.0000 34322.4936 -149202.4352 299.7469 -183524.9288 -149101.6129 299.5547 49.0199 82.7135 557498.4395 9.6846 9.6371 PRESSURE: 2882400 -9.49218 16.6584 -84.8558 16.6581 47.2749 -173.417 -84.8561 -173.419 -58.0767 GPRESSURE: 2882400 34.7698 1.37779 -111.883 52.9328 71.987 -165.965 -98.8584 -154.443 -21.8357 PRESSAVG: 2882400 67.3877 56.824 32.6111 56.824 -62.5437 -20.1424 32.6111 -20.1423 37.131 GPRESSAVG: 2882400 67.5161 55.3343 33.0551 58.3872 -63.8839 -19.5259 31.7335 -20.6128 38.1242 TIMING: 2882400 CPU: 8593.14, 0.00295065/step Wall: 8593.14, 0.00295065/step, 1.73564 hours remaining, 206.535156 MB of memory in use. ENERGY: 2882400 766.2453 2100.4601 1922.9434 118.2527 -206282.3811 17850.9473 0.0000 0.0000 34346.7932 -149176.7392 299.9591 -183523.5324 -149083.2554 299.9970 -6.7647 28.3070 556822.8858 13.9917 13.9188 PRESSURE: 2882600 -114.61 -113.126 38.7485 -113.126 242.202 58.611 38.7497 58.6104 -142.391 GPRESSURE: 2882600 -84.9316 -21.3712 61.1207 -179.106 297.829 138.262 99.0246 -18.78 -118.012 PRESSAVG: 2882600 45.6 18.5197 44.0328 18.5198 -32.6091 -31.0283 44.0329 -31.0282 -32.1796 GPRESSAVG: 2882600 45.6623 18.9694 43.3907 17.8975 -31.3019 -30.4842 44.4364 -31.0441 -33.0451 TIMING: 2882600 CPU: 8593.73, 0.00297485/step Wall: 8593.73, 0.00297485/step, 1.74971 hours remaining, 206.535156 MB of memory in use. ENERGY: 2882600 736.1899 2118.9305 1912.0745 105.4057 -206077.4848 17604.2415 0.0000 0.0000 34334.0550 -149266.5877 299.8478 -183600.6427 -149166.6741 300.1494 -4.9330 31.6283 557069.4604 -6.3963 -6.2282 PRESSURE: 2882800 -177.799 58.3469 -5.47189 58.3463 -56.3429 -96.4606 -5.47136 -96.4598 -245.118 GPRESSURE: 2882800 -154.72 83.9531 84.9497 117.396 10.5195 -178.473 -35.1849 -67.499 -226.332 PRESSAVG: 2882800 -20.8916 83.8099 22.7459 83.8098 7.69987 32.9949 22.7458 32.9949 55.1985 GPRESSAVG: 2882800 -20.8738 85.186 23.6848 83.8431 7.05747 31.4421 21.5672 33.4159 55.5913 TIMING: 2882800 CPU: 8594.33, 0.00298786/step Wall: 8594.33, 0.00298786/step, 1.75719 hours remaining, 206.535156 MB of memory in use. ENERGY: 2882800 727.3316 2083.6530 1973.0441 106.7780 -206201.7196 17684.7049 0.0000 0.0000 34272.7294 -149353.4787 299.3123 -183626.2080 -149249.2396 299.4653 -159.7532 -123.5106 557596.6100 14.0023 13.9250 PRESSURE: 2883000 -47.9158 -33.3927 -7.24183 -33.3918 -73.2522 76.1174 -7.2411 76.1172 96.1683 GPRESSURE: 2883000 -7.61227 -19.912 -38.6598 40.2015 -27.1037 109.199 9.89412 85.6408 106.423 PRESSAVG: 2883000 -16.8582 28.9179 11.2065 28.9179 30.0622 -3.28586 11.2065 -3.28589 -5.85656 GPRESSAVG: 2883000 -17.361 29.7886 11.6091 28.7788 30.5132 -3.73532 12.2591 -2.11394 -5.11528 TIMING: 2883000 CPU: 8594.93, 0.00301065/step Wall: 8594.93, 0.00301065/step, 1.77043 hours remaining, 206.535156 MB of memory in use. ENERGY: 2883000 748.9537 2051.7472 1968.1552 110.0489 -206551.1997 17860.2939 0.0000 0.0000 34169.2077 -149642.7931 298.4082 -183812.0008 -149545.2579 297.6964 -8.3332 23.9025 556527.8575 2.4492 2.6790 PRESSURE: 2883200 207.406 -14.4577 77.8536 -14.4585 -189.802 38.4543 77.8549 38.4536 57.4758 GPRESSURE: 2883200 214.722 -88.6518 89.5611 17.0651 -136.639 43.6323 127.068 87.6201 95.1468 PRESSAVG: 2883200 1.08102 14.1649 44.7513 14.1649 -38.3823 14.0888 44.7513 14.0887 9.6322 GPRESSAVG: 2883200 1.75811 12.2494 43.1945 15.4406 -39.0323 17.0098 43.1141 11.1177 9.84754 TIMING: 2883200 CPU: 8595.53, 0.00296389/step Wall: 8595.53, 0.00296389/step, 1.74277 hours remaining, 206.535156 MB of memory in use. ENERGY: 2883200 745.4494 2055.7493 1961.3369 119.6202 -206425.4854 17868.8485 0.0000 0.0000 34208.6707 -149465.8104 298.7528 -183674.4812 -149372.7036 297.9911 25.0263 57.7432 557422.1637 -9.2230 -9.1422 PRESSURE: 2883400 -300.531 154.319 22.7591 154.32 -196.62 102.207 22.76 102.209 -96.231 GPRESSURE: 2883400 -283.321 188.421 -50.4351 90.4769 -141.783 110.241 85.7404 83.0524 -86.0472 PRESSAVG: 2883400 35.3082 40.5726 -12.091 40.5726 3.73272 15.0887 -12.091 15.0887 -25.8151 GPRESSAVG: 2883400 35.5513 41.5601 -12.9757 40.065 5.32285 11.9348 -10.6775 17.6394 -27.1664 TIMING: 2883400 CPU: 8596.13, 0.00300593/step Wall: 8596.13, 0.00300593/step, 1.76732 hours remaining, 206.535156 MB of memory in use. ENERGY: 2883400 784.0321 2080.4400 1948.6954 99.7152 -206234.3942 17620.1097 0.0000 0.0000 34256.0927 -149445.3092 299.1670 -183701.4019 -149355.5516 298.7434 -197.7938 -170.3836 557990.0923 4.4086 4.5693 PRESSURE: 2883600 85.3808 -63.8761 -40.7196 -63.8749 -1.29594 -80.633 -40.7202 -80.6334 -42.8607 GPRESSURE: 2883600 147.798 -13.4025 -57.5777 -52.5084 3.33779 -62.1761 -41.7657 -86.8903 -10.6712 PRESSAVG: 2883600 -7.30115 51.9082 6.34543 51.9081 18.1237 25.9988 6.34542 25.9989 11.9977 GPRESSAVG: 2883600 -6.93334 50.8505 9.01822 50.6993 17.8416 27.7591 6.52438 24.123 12.3004 TIMING: 2883600 CPU: 8596.73, 0.00300254/step Wall: 8596.73, 0.00300254/step, 1.76516 hours remaining, 206.535156 MB of memory in use. ENERGY: 2883600 785.2301 2059.9544 1944.4060 115.5205 -206309.8636 17938.6259 0.0000 0.0000 34217.4197 -149248.7071 298.8292 -183466.1267 -149147.5141 299.2355 13.7414 46.8216 557444.4438 7.6068 7.7362 PRESSURE: 2883800 136.007 95.7088 -251.782 95.7082 11.2012 -80.8414 -251.782 -80.8414 -61.1405 GPRESSURE: 2883800 188.829 85.4437 -172.005 36.8594 6.50228 -95.6898 -248.888 -48.2567 -17.9937 PRESSAVG: 2883800 -41.394 -14.2028 -18.4466 -14.2029 35.8072 11.5795 -18.4466 11.5794 -4.16441 GPRESSAVG: 2883800 -42.4446 -13.3786 -20.6967 -14.2822 36.7982 11.2519 -18.7271 11.0783 -4.13511 TIMING: 2883800 CPU: 8597.33, 0.00298594/step Wall: 8597.33, 0.00298594/step, 1.75523 hours remaining, 206.535156 MB of memory in use. ENERGY: 2883800 735.3494 2124.5771 1935.7224 113.4250 -206013.0969 17785.3130 0.0000 0.0000 34127.0494 -149191.6608 298.0400 -183318.7102 -149098.1789 298.6983 28.6893 59.1125 556823.6393 -3.2504 -3.2605 PRESSURE: 2884000 -21.9992 -10.1616 -46.8855 -10.1621 -145.584 -113.694 -46.8852 -113.694 20.0667 GPRESSURE: 2884000 -6.72403 -103.912 -110.204 -11.8053 -123.131 -186.928 -99.6983 -37.6005 77.7486 PRESSAVG: 2884000 -21.3159 -21.6031 -36.4214 -21.6031 24.0312 -9.48163 -36.4215 -9.4815 -0.0769462 GPRESSAVG: 2884000 -22.2438 -22.1094 -37.6156 -21.4318 22.7369 -9.6562 -34.8325 -7.71323 1.25286 TIMING: 2884000 CPU: 8597.92, 0.00296463/step Wall: 8597.92, 0.00296463/step, 1.74255 hours remaining, 206.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2884000 733.5984 2118.6924 1925.4092 89.4315 -206047.4514 17742.7173 0.0000 0.0000 34084.8675 -149352.7351 297.6716 -183437.6025 -149259.9101 298.9231 -49.1722 -17.3690 558829.0578 0.8794 0.5820 PRESSURE: 2884200 -257.886 91.9891 -129.956 91.9875 179.66 182.977 -129.956 182.979 -232.969 GPRESSURE: 2884200 -218.221 136.818 -73.7025 124.102 163.8 134.002 -122.129 183.5 -160.013 PRESSAVG: 2884200 -9.2282 11.6769 -40.6461 11.6769 10.5435 11.6558 -40.6461 11.6558 -4.66506 GPRESSAVG: 2884200 -8.06009 11.0489 -39.3883 14.2622 9.09934 12.9803 -41.5908 10.8692 -4.45467 TIMING: 2884200 CPU: 8598.52, 0.00301104/step Wall: 8598.52, 0.00301104/step, 1.76966 hours remaining, 206.535156 MB of memory in use. ENERGY: 2884200 799.0264 2116.8916 1927.5781 117.1107 -205907.9881 17699.4651 0.0000 0.0000 34072.4972 -149175.4190 297.5636 -183247.9162 -149082.1813 298.5631 -103.7316 -71.4779 559435.9689 -1.1166 -1.1385 LDB: ============= START OF LOAD BALANCING ============== 8602.07 LDB: ============== END OF LOAD BALANCING =============== 8602.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8602.07 LDB: ============= START OF LOAD BALANCING ============== 8602.38 LDB: Largest compute 4773 load 0.027930 is 23.6% of average load 0.118200 LDB: Average compute 0.001737 is 1.5% of average load 0.118200 LDB: TIME 8602.38 LOAD: AVG 0.1182 MAX 0.203433 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.078 MB LDB: TIME 8602.38 LOAD: AVG 0.1182 MAX 0.203433 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.078 MB LDB: TIME 8602.38 LOAD: AVG 0.1182 MAX 0.203433 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.078 MB LDB: ============== END OF LOAD BALANCING =============== 8602.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8602.39 PRESSURE: 2884400 -64.2696 -63.2467 -45.2298 -63.2465 -126.863 -46.4102 -45.2297 -46.4097 -172.195 GPRESSURE: 2884400 -31.1857 -120.285 -126.366 -41.6933 -114.027 14.3951 22.7302 -117.137 -120.846 PRESSAVG: 2884400 -19.5996 34.8138 -9.98829 34.8137 76.051 38.8409 -9.98832 38.8409 -42.4193 GPRESSAVG: 2884400 -19.1315 36.1357 -9.29166 30.1321 76.9571 37.797 -10.9201 39.395 -42.9442 TIMING: 2884400 CPU: 8599.14, 0.00308055/step Wall: 8599.14, 0.00308055/step, 1.81034 hours remaining, 206.531250 MB of memory in use. ENERGY: 2884400 771.3623 2087.4680 1956.3871 103.8250 -206288.2572 17772.1167 0.0000 0.0000 34225.0247 -149372.0735 298.8957 -183597.0982 -149280.1996 298.6163 -121.1093 -88.6861 556698.6194 4.6774 4.9605 PRESSURE: 2884600 -115.366 -34.1903 -24.6255 -34.1905 53.4428 -92.5041 -24.6245 -92.5059 -60.4285 GPRESSURE: 2884600 -102.872 -13.4758 -35.7077 -46.9626 133.212 -93.312 -39.5624 -3.56379 -46.2363 PRESSAVG: 2884600 8.73537 -26.3891 4.85701 -26.3892 33.6798 -45.2338 4.85706 -45.2338 19.7878 GPRESSAVG: 2884600 10.3516 -26.2811 3.41879 -23.0969 32.9754 -46.3018 6.31364 -44.473 18.9499 TIMING: 2884600 CPU: 8599.74, 0.00300382/step Wall: 8599.74, 0.00300382/step, 1.76508 hours remaining, 206.730469 MB of memory in use. ENERGY: 2884600 723.6030 2120.2179 1968.5668 110.9038 -206251.2565 17908.5962 0.0000 0.0000 34062.3421 -149357.0267 297.4749 -183419.3688 -149266.2608 298.9822 -40.7840 -5.2988 557859.0109 20.7343 20.7590 PRESSURE: 2884800 207.075 -121.849 20.2603 -121.849 189.101 -110.817 20.2621 -110.816 106.622 GPRESSURE: 2884800 253.269 -154.884 90.9248 -27.4148 234.445 -116.697 -68.7353 -111.2 117.719 PRESSAVG: 2884800 34.5677 -76.2774 -32.0642 -76.2774 2.12987 -44.3312 -32.0641 -44.3312 -41.2528 GPRESSAVG: 2884800 33.1977 -75.7794 -31.1378 -77.8951 2.98019 -43.4443 -32.592 -44.8697 -41.3685 TIMING: 2884800 CPU: 8600.33, 0.00298784/step Wall: 8600.33, 0.00298784/step, 1.75552 hours remaining, 206.730469 MB of memory in use. ENERGY: 2884800 792.0688 2064.6930 1905.7942 117.2092 -206547.8005 18148.9387 0.0000 0.0000 34143.4717 -149375.6249 298.1834 -183519.0966 -149288.0475 298.5999 167.5990 201.8110 556766.1895 -1.5184 -1.7302 PRESSURE: 2885000 -91.6397 -50.9896 26.6625 -50.9899 -92.6174 -95.3178 26.6615 -95.3173 -86.8154 GPRESSURE: 2885000 -31.5516 -78.239 22.7404 -52.1151 -22.7689 -30.1621 104.987 -10.133 -110.713 PRESSAVG: 2885000 -47.4132 43.1384 -22.8794 43.1383 96.8473 -38.0199 -22.8794 -38.02 -16.4132 GPRESSAVG: 2885000 -46.5146 43.5578 -22.9136 44.3982 95.3673 -37.1696 -24.5583 -35.4972 -15.2492 TIMING: 2885000 CPU: 8600.93, 0.00297937/step Wall: 8600.93, 0.00297937/step, 1.75038 hours remaining, 206.730469 MB of memory in use. ENERGY: 2885000 743.2118 2122.2637 1965.2258 121.6084 -206055.0857 17609.5390 0.0000 0.0000 34343.2615 -149149.9756 299.9282 -183493.2371 -149055.1749 299.3274 -90.3575 -55.0112 558580.0305 11.0069 11.2012 PRESSURE: 2885200 -153.095 -57.3842 -32.4504 -57.3844 -185.473 32.7005 -32.4504 32.7017 -186.879 GPRESSURE: 2885200 -105.008 -25.4626 -37.8336 -36.6648 -138.439 42.4469 6.35917 -26.5876 -181.498 PRESSAVG: 2885200 -67.5883 -10.1074 -0.0228412 -10.1073 10.7975 2.8754 -0.0228414 2.87543 31.7541 GPRESSAVG: 2885200 -69.4975 -10.2642 -0.464746 -10.8203 12.5459 2.10743 2.2141 0.823333 31.9982 TIMING: 2885200 CPU: 8601.53, 0.00298823/step Wall: 8601.53, 0.00298823/step, 1.75542 hours remaining, 206.730469 MB of memory in use. ENERGY: 2885200 740.0315 2017.2624 1949.7252 99.4409 -205804.1012 17587.5304 0.0000 0.0000 34250.7584 -149159.3524 299.1204 -183410.1108 -149062.9969 299.6742 -175.1490 -141.6486 559349.4458 -8.3456 -8.3178 PRESSURE: 2885400 90.3605 -2.59744 96.5543 -2.59673 -38.5951 -9.88858 96.5529 -9.88757 43.1521 GPRESSURE: 2885400 124.42 -96.3572 79.7604 67.4627 -13.753 66.4386 66.1961 -13.0625 86.6755 PRESSAVG: 2885400 -30.313 10.7342 -16.317 10.7343 -31.2428 40.7762 -16.317 40.776 53.3557 GPRESSAVG: 2885400 -28.0682 7.68386 -15.9859 11.635 -32.7837 40.63 -16.4304 41.7127 52.8587 TIMING: 2885400 CPU: 8602.12, 0.00294634/step Wall: 8602.12, 0.00294635/step, 1.73065 hours remaining, 206.730469 MB of memory in use. ENERGY: 2885400 774.7265 2103.8567 1903.6812 119.1989 -206148.0740 17890.0487 0.0000 0.0000 34372.5875 -148983.9745 300.1844 -183356.5619 -148891.2191 299.4386 31.6392 65.7808 557029.5646 -2.7334 -2.6644 PRESSURE: 2885600 73.76 -17.6176 -136.32 -17.6162 88.9083 -72.5373 -136.319 -72.5386 -222.896 GPRESSURE: 2885600 97.746 -124.716 -137.231 58.483 82.812 -86.6203 -197.58 -25.448 -140.939 PRESSAVG: 2885600 28.1934 -2.61679 -1.13348 -2.61687 -16.6734 -15.5354 -1.13345 -15.5353 -9.84957 GPRESSAVG: 2885600 26.3381 -0.558394 -2.42247 -3.97647 -17.6402 -14.3148 -1.6733 -17.6451 -7.35522 TIMING: 2885600 CPU: 8602.71, 0.00296232/step Wall: 8602.71, 0.00296232/step, 1.73987 hours remaining, 206.730469 MB of memory in use. ENERGY: 2885600 742.0640 2132.8304 1956.1485 113.0062 -205932.9322 17700.3636 0.0000 0.0000 34295.3753 -148993.1442 299.5100 -183288.5195 -148908.8398 300.0240 -20.0757 13.2063 556033.5165 0.5568 0.4475 PRESSURE: 2885800 9.44119 -283.909 9.50114 -283.908 84.1007 95.6383 9.5021 95.6384 -63.6479 GPRESSURE: 2885800 63.3156 -287.475 -22.1931 -130.484 102.453 147.694 -52.6926 43.722 -46.4697 PRESSAVG: 2885800 0.952288 -51.1765 -28.128 -51.1764 -35.5516 -7.51085 -28.128 -7.51085 10.7806 GPRESSAVG: 2885800 1.89124 -49.9883 -27.7991 -50.3127 -34.0834 -7.50002 -30.573 -6.99205 8.14036 TIMING: 2885800 CPU: 8603.3, 0.00296439/step Wall: 8603.3, 0.00296439/step, 1.74092 hours remaining, 206.730469 MB of memory in use. ENERGY: 2885800 730.1862 2073.1286 1938.4030 118.8179 -205609.0836 17592.7469 0.0000 0.0000 34096.3178 -149059.4832 297.7716 -183155.8009 -148970.9762 299.8168 9.9646 39.7664 556653.2406 -7.9396 -8.0173 PRESSURE: 2886000 206.352 27.2854 177.4 27.2858 41.0939 165.68 177.399 165.681 47.5938 GPRESSURE: 2886000 274.1 69.2992 231.584 -25.4771 33.1955 71.9445 119.34 205.492 87.87 PRESSAVG: 2886000 40.251 6.94762 -18.2636 6.94761 -52.5395 29.5157 -18.2636 29.5159 20.5791 GPRESSAVG: 2886000 40.8154 5.61827 -18.0692 5.35199 -52.5243 28.8357 -14.9245 29.4698 20.2909 TIMING: 2886000 CPU: 8603.9, 0.00296536/step Wall: 8603.9, 0.00296536/step, 1.74132 hours remaining, 206.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2886000 765.5104 2118.2044 1945.0228 105.1970 -206350.3724 18030.3404 0.0000 0.0000 34284.6017 -149101.4956 299.4160 -183386.0973 -149005.3493 300.5516 98.3467 131.7218 557496.2874 2.7635 2.8607 PRESSURE: 2886200 -92.4558 -8.74184 6.31843 -8.74282 42.6197 -42.2272 6.31874 -42.2277 -131.11 GPRESSURE: 2886200 -29.5784 63.5991 27.2898 41.3289 43.0859 -11.2557 -9.99369 14.0641 -93.1454 PRESSAVG: 2886200 -86.3231 16.498 10.1638 16.498 24.8203 -44.8916 10.1639 -44.8916 63.3359 GPRESSAVG: 2886200 -87.2964 19.4537 10.9838 17.0208 24.6917 -43.9197 10.1463 -44.0274 64.6183 TIMING: 2886200 CPU: 8604.49, 0.00296388/step Wall: 8604.49, 0.00296388/step, 1.74029 hours remaining, 206.730469 MB of memory in use. ENERGY: 2886200 732.6441 2128.3719 1905.2110 109.8394 -206063.2958 17766.1757 0.0000 0.0000 34195.4471 -149225.6066 298.6373 -183421.0536 -149130.4831 299.6096 -60.3154 -26.5460 558481.1674 0.6110 0.6712 PRESSURE: 2886400 -71.9657 -111.042 81.1397 -111.043 -68.457 -61.0868 81.1405 -61.087 15.9714 GPRESSURE: 2886400 -77.454 -80.2145 140.495 -197.337 -4.23027 -88.6115 58.2655 -95.8508 61.0367 PRESSAVG: 2886400 -40.2923 9.37665 -39.5934 9.37662 63.4053 15.1128 -39.5934 15.1127 6.63582 GPRESSAVG: 2886400 -40.4516 7.86663 -40.2435 8.33067 62.4521 16.5123 -40.5337 14.9152 7.62207 TIMING: 2886400 CPU: 8605.08, 0.00294574/step Wall: 8605.08, 0.00294574/step, 1.72948 hours remaining, 206.730469 MB of memory in use. ENERGY: 2886400 764.5235 2117.2438 1981.3845 111.2745 -205986.4694 17617.5345 0.0000 0.0000 34159.3734 -149235.1353 298.3223 -183394.5087 -149136.8666 299.3366 -41.4838 -6.8825 555817.1533 9.9163 9.8742 PRESSURE: 2886600 -189.114 -27.4379 89.9984 -27.4368 -339.814 -88.6173 89.9985 -88.6179 -310.951 GPRESSURE: 2886600 -140.37 -39.6097 76.6859 -11.6834 -286.372 -98.6129 114.354 -43.8993 -305.567 PRESSAVG: 2886600 -3.67373 -44.005 -9.01982 -44.0051 -41.7368 37.0274 -9.01985 37.0274 75.4347 GPRESSAVG: 2886600 -2.9789 -43.928 -6.85243 -42.8789 -41.6705 32.4951 -8.8792 38.9524 74.1133 TIMING: 2886600 CPU: 8605.67, 0.00296087/step Wall: 8605.67, 0.00296087/step, 1.73819 hours remaining, 206.730469 MB of memory in use. ENERGY: 2886600 739.7519 2094.0102 1967.5233 105.9970 -206073.8933 17484.6191 0.0000 0.0000 34211.5606 -149470.4312 298.7781 -183681.9918 -149373.4019 299.5751 -279.9596 -244.1032 556632.6582 10.0081 9.8213 PRESSURE: 2886800 -114.709 -110.831 53.163 -110.832 -195.588 107.539 53.1627 107.538 -98.3769 GPRESSURE: 2886800 -97.4681 -61.506 2.93848 -119.195 -146.933 127.356 51.2531 33.6523 -65.0595 PRESSAVG: 2886800 -34.6208 -60.5259 14.7866 -60.5259 0.542793 46.9359 14.7865 46.9358 13.5095 GPRESSAVG: 2886800 -34.3495 -61.3907 11.567 -59.1799 0.114127 50.0203 16.1729 43.84 13.2825 TIMING: 2886800 CPU: 8606.26, 0.00295754/step Wall: 8606.26, 0.00295754/step, 1.73608 hours remaining, 206.730469 MB of memory in use. ENERGY: 2886800 715.7967 2076.6075 1956.2929 114.0565 -206200.0909 17634.2878 0.0000 0.0000 34159.3081 -149543.7414 298.3217 -183703.0495 -149445.1770 298.4299 -136.2247 -103.1534 557289.3227 -6.8562 -6.9843 PRESSURE: 2887000 -135.217 -1.62022 31.4015 -1.62021 28.3393 138.338 31.4019 138.337 4.90763 GPRESSURE: 2887000 -106.858 -31.7074 -20.2281 86.2979 30.2603 159.132 -1.85149 146.948 60.8387 PRESSAVG: 2887000 -6.45947 -32.6429 34.576 -32.6429 -15.1678 59.1952 34.5759 59.1952 46.1351 GPRESSAVG: 2887000 -6.30018 -32.0052 36.2767 -33.435 -16.398 60.1482 33.0122 61.5386 47.3385 TIMING: 2887000 CPU: 8606.86, 0.00297039/step Wall: 8606.86, 0.00297039/step, 1.74345 hours remaining, 206.730469 MB of memory in use. ENERGY: 2887000 766.4009 2087.4192 1949.6043 108.4035 -206373.5893 17885.5006 0.0000 0.0000 34070.2602 -149506.0006 297.5441 -183576.2608 -149409.7437 298.5164 -33.9899 -5.2530 559118.6601 8.1693 8.2134 PRESSURE: 2887200 -196.085 -159.778 5.96762 -159.778 134.237 -4.49559 5.96547 -4.49645 -294.543 GPRESSURE: 2887200 -146.459 -142.382 81.3112 -110.956 147.226 14.7617 -3.55271 39.9675 -263.318 PRESSAVG: 2887200 -21.3709 17.611 45.3321 17.6109 22.676 -3.27128 45.332 -3.27119 -9.20024 GPRESSAVG: 2887200 -22.6196 18.2958 46.6679 16.1881 25.2682 -3.47505 43.7292 -3.78325 -10.6113 TIMING: 2887200 CPU: 8607.45, 0.00296203/step Wall: 8607.45, 0.00296203/step, 1.73838 hours remaining, 206.730469 MB of memory in use. ENERGY: 2887200 750.0649 2092.6142 1951.1268 116.0205 -206593.5883 17887.3423 0.0000 0.0000 34328.3364 -149468.0831 299.7979 -183796.4195 -149373.4011 298.8765 -118.7970 -87.5169 559395.9929 -2.6317 -2.6542 PRESSURE: 2887400 -165.225 -19.724 -1.22595 -19.7246 -245.091 143.455 -1.22622 143.455 -136.638 GPRESSURE: 2887400 -127.848 -66.4449 56.3992 -38.7144 -170.462 183.5 -26.4336 141.882 -147.086 PRESSAVG: 2887400 -29.3891 1.65638 -43.7715 1.65646 87.1739 4.12639 -43.7715 4.12642 -44.99 GPRESSAVG: 2887400 -29.7523 -0.335463 -44.081 2.9089 86.0826 2.09437 -42.2733 5.30495 -43.8459 TIMING: 2887400 CPU: 8608.04, 0.00297681/step Wall: 8608.04, 0.00297681/step, 1.74689 hours remaining, 206.730469 MB of memory in use. ENERGY: 2887400 771.9902 2077.8233 1931.6319 118.4098 -206249.6477 17803.1496 0.0000 0.0000 34062.5602 -149484.0828 297.4768 -183546.6430 -149385.0962 297.9980 -182.3184 -148.4654 560506.1326 4.2649 4.1615 PRESSURE: 2887600 229.619 -31.4209 -46.5588 -31.4216 -38.8966 8.50478 -46.5588 8.50341 -267.589 GPRESSURE: 2887600 207.87 36.873 -95.4454 -59.4611 -1.99898 23.111 57.0275 76.5498 -192.662 PRESSAVG: 2887600 3.09154 -6.08126 20.8194 -6.08128 -17.6675 64.0733 20.8193 64.0734 -8.64727 GPRESSAVG: 2887600 3.90391 -5.2812 18.9342 -6.35328 -17.7908 66.8129 21.3609 62.0472 -8.75044 TIMING: 2887600 CPU: 8608.64, 0.00296605/step Wall: 8608.64, 0.00296605/step, 1.74041 hours remaining, 206.730469 MB of memory in use. ENERGY: 2887600 749.0372 2123.8434 1937.4418 108.5583 -206655.3745 17972.3455 0.0000 0.0000 34234.7770 -149529.3713 298.9808 -183764.1482 -149436.3506 297.9603 -25.6222 4.4030 559827.7612 -7.7411 -7.5458 PRESSURE: 2887800 86.942 -49.9094 9.06722 -49.9093 -155.755 90.1953 9.06675 90.196 229.924 GPRESSURE: 2887800 138.282 -91.7585 -12.5351 -40.858 -89.4638 91.4002 61.5008 80.0842 204.284 PRESSAVG: 2887800 -13.4776 16.4566 -24.9415 16.4565 7.45036 -29.72 -24.9414 -29.72 5.60801 GPRESSAVG: 2887800 -12.1247 16.0356 -25.4167 16.8184 8.23488 -31.3195 -25.9294 -30.6164 3.87864 TIMING: 2887800 CPU: 8609.23, 0.00296846/step Wall: 8609.23, 0.00296846/step, 1.74166 hours remaining, 206.730469 MB of memory in use. ENERGY: 2887800 737.0542 2128.4413 1950.7677 111.0370 -206738.1060 18115.7316 0.0000 0.0000 34311.0253 -149384.0489 299.6467 -183695.0742 -149288.8568 298.4612 53.7036 84.3674 559210.2392 -0.1397 -0.0037 PRESSURE: 2888000 266.227 34.0802 -223.435 34.0808 310.925 100.837 -223.434 100.836 35.68 GPRESSURE: 2888000 291.369 17.1269 -229.568 63.8559 298.092 48.7418 -189.76 159.385 106.35 PRESSAVG: 2888000 76.8279 -2.42591 50.4104 -2.42595 -82.9944 -3.40128 50.4104 -3.40144 -28.8176 GPRESSAVG: 2888000 74.8821 -2.83722 52.8326 -2.93176 -82.2475 -1.10046 50.1006 -3.64252 -27.1956 TIMING: 2888000 CPU: 8609.82, 0.00294551/step Wall: 8609.82, 0.00294551/step, 1.72803 hours remaining, 206.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2888000 741.6304 2082.9538 1962.1914 110.0119 -206985.1445 18352.9173 0.0000 0.0000 34233.5196 -149501.9201 298.9698 -183735.4397 -149400.7737 299.1717 204.2772 231.9371 556617.2113 -11.6613 -11.5203 PRESSURE: 2888200 244.476 -147.583 65.0482 -147.583 243.741 -73.3828 65.0472 -73.3833 106.751 GPRESSURE: 2888200 296.244 -99.6242 32.8094 -206.666 279.204 -118.838 -82.55 -11.5443 116.501 PRESSAVG: 2888200 50.7663 -17.3962 -9.35455 -17.3963 -5.02086 -54.1925 -9.35454 -54.1925 -32.2962 GPRESSAVG: 2888200 50.7697 -15.6284 -10.2308 -17.5853 -5.62823 -56.9956 -7.96936 -53.0498 -32.3917 TIMING: 2888200 CPU: 8610.41, 0.0029381/step Wall: 8610.41, 0.0029381/step, 1.72352 hours remaining, 206.730469 MB of memory in use. ENERGY: 2888200 743.8335 2090.2761 1975.1788 124.1462 -206605.7802 18077.4112 0.0000 0.0000 34279.5035 -149315.4308 299.3714 -183594.9343 -149218.4133 299.2189 198.3225 230.6494 557697.1803 4.4831 4.2499 LDB: ============= START OF LOAD BALANCING ============== 8613.95 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8613.95 LDB: =============== DONE WITH MIGRATION ================ 8613.96 LDB: ============= START OF LOAD BALANCING ============== 8614.25 LDB: Largest compute 4773 load 0.027882 is 23.6% of average load 0.118274 LDB: Average compute 0.001735 is 1.5% of average load 0.118274 LDB: TIME 8614.26 LOAD: AVG 0.118274 MAX 0.201693 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.531 MB LDB: TIME 8614.26 LOAD: AVG 0.118274 MAX 0.201693 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.535 MB LDB: TIME 8614.26 LOAD: AVG 0.118274 MAX 0.201693 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.535 MB LDB: ============== END OF LOAD BALANCING =============== 8614.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8614.26 PRESSURE: 2888400 -262.339 216.416 -6.19541 216.416 -101.197 -243.025 -6.19469 -243.025 -1.05793 GPRESSURE: 2888400 -259.108 201.423 -7.83882 222.825 -26.9091 -254.851 -30.3646 -229.821 28.8251 PRESSAVG: 2888400 35.5026 -12.4877 -29.4677 -12.4878 -16.9603 32.1641 -29.4677 32.1641 19.7237 GPRESSAVG: 2888400 36.1747 -14.4872 -28.88 -10.9119 -17.4984 30.4532 -30.3252 33.8671 19.3426 TIMING: 2888400 CPU: 8611.01, 0.00302891/step Wall: 8611.01, 0.0030289/step, 1.77662 hours remaining, 206.019531 MB of memory in use. ENERGY: 2888400 745.8476 2096.1986 1952.1138 125.2535 -206280.8018 17788.6179 0.0000 0.0000 34267.4955 -149305.2749 299.2666 -183572.7705 -149203.4846 299.7546 -121.5312 -85.7307 557740.7098 12.7553 12.6730 PRESSURE: 2888600 -178.455 69.0437 104.905 69.0444 -219.244 142.465 104.905 142.466 -25.6168 GPRESSURE: 2888600 -157.024 23.6295 91.0917 116.983 -204.049 116.193 153.198 179.684 31.9266 PRESSAVG: 2888600 36.7796 -12.9754 -30.5736 -12.9755 -71.6737 13.3996 -30.5736 13.3996 -10.3289 GPRESSAVG: 2888600 36.7503 -13.3253 -29.9045 -12.9157 -73.0272 18.1777 -30.2209 10.6874 -9.1305 TIMING: 2888600 CPU: 8611.6, 0.00295302/step Wall: 8611.6, 0.00295302/step, 1.73195 hours remaining, 206.019531 MB of memory in use. ENERGY: 2888600 753.9451 2150.7286 1942.1912 114.5232 -206180.9466 17667.7946 0.0000 0.0000 34265.1569 -149286.6070 299.2461 -183551.7639 -149193.8723 299.5949 -141.1053 -109.7155 558876.3913 -15.0743 -15.1358 PRESSURE: 2888800 -196.633 -149.676 125.183 -149.676 -189.638 0.357844 125.183 0.358291 181.075 GPRESSURE: 2888800 -161.218 -177.762 215.794 -159.831 -134.061 29.0448 77.3624 32.3832 197.298 PRESSAVG: 2888800 -6.71446 -10.2739 -16.4962 -10.274 10.2767 -13.0316 -16.4962 -13.0315 11.1497 GPRESSAVG: 2888800 -7.11538 -8.9301 -18.8618 -10.7211 12.3424 -14.8482 -14.097 -11.8329 10.096 TIMING: 2888800 CPU: 8612.19, 0.00295164/step Wall: 8612.19, 0.00295164/step, 1.73098 hours remaining, 206.019531 MB of memory in use. ENERGY: 2888800 726.2052 2173.0092 1968.8347 109.0036 -206498.3283 17690.5660 0.0000 0.0000 34431.2549 -149399.4547 300.6967 -183830.7096 -149302.1888 299.1040 -68.3987 -32.6605 556682.6900 4.9040 5.1077 PRESSURE: 2889000 220.948 75.8465 -76.5762 75.8461 59.9849 -49.2812 -76.5763 -49.2807 -109.715 GPRESSURE: 2889000 264.667 136.882 -168.544 -43.3514 61.3495 -155.399 -0.576178 21.0284 -64.1896 PRESSAVG: 2889000 49.7094 -32.519 14.6035 -32.5191 -116.121 24.5722 14.6035 24.5722 28.1824 GPRESSAVG: 2889000 50.1024 -32.7489 14.0577 -33.8463 -118.071 24.0844 12.8964 25.214 30.0214 TIMING: 2889000 CPU: 8612.78, 0.0029395/step Wall: 8612.78, 0.0029395/step, 1.72369 hours remaining, 206.019531 MB of memory in use. ENERGY: 2889000 763.9948 2139.8211 1965.8605 113.0663 -206846.5724 18141.6021 0.0000 0.0000 34490.1454 -149232.0821 301.2110 -183722.2275 -149131.8159 299.3538 57.0729 87.2755 555230.1116 -12.7430 -12.6490 PRESSURE: 2889200 9.00231 88.0483 16.0648 88.0483 -140.012 -50.9684 16.0645 -50.9704 -177.872 GPRESSURE: 2889200 87.698 61.7192 -57.8133 107.069 -116.961 -62.291 6.22637 -57.0283 -177.239 PRESSAVG: 2889200 84.099 17.319 28.0022 17.319 -59.5027 -29.1094 28.0022 -29.1093 -4.09462 GPRESSAVG: 2889200 83.142 15.9575 31.719 18.9846 -57.8332 -29.566 27.7009 -29.2898 -5.02016 TIMING: 2889200 CPU: 8613.37, 0.00296254/step Wall: 8613.37, 0.00296254/step, 1.73704 hours remaining, 206.261719 MB of memory in use. ENERGY: 2889200 741.1809 2090.1304 1937.0139 116.7986 -206203.2662 17794.4533 0.0000 0.0000 34206.5756 -149317.1135 298.7345 -183523.6891 -149221.4044 299.1429 -102.9605 -68.8342 558666.1959 6.8339 6.7629 PRESSURE: 2889400 26.1438 64.3175 4.73136 64.3169 -6.97224 -66.1098 4.73218 -66.109 331.346 GPRESSURE: 2889400 54.0881 31.1028 -29.8692 31.3576 84.3732 -122.085 16.3251 -58.3561 311.643 PRESSAVG: 2889400 65.3022 -15.3819 6.57947 -15.382 -65.5461 -31.3424 6.57944 -31.3423 4.91551 GPRESSAVG: 2889400 65.9544 -14.2473 5.67261 -16.4351 -66.1524 -34.5328 5.23408 -29.6991 4.38172 TIMING: 2889400 CPU: 8613.97, 0.00296125/step Wall: 8613.97, 0.00296125/step, 1.73611 hours remaining, 206.261719 MB of memory in use. ENERGY: 2889400 722.1910 2181.4145 1918.2180 117.0248 -206317.5064 17906.4223 0.0000 0.0000 34150.0728 -149322.1629 298.2411 -183472.2357 -149213.8036 299.3383 116.8392 150.0346 556964.8471 1.5572 1.3946 PRESSURE: 2889600 53.5078 61.4341 -68.5596 61.4348 -6.15061 113.171 -68.5618 113.172 119.869 GPRESSURE: 2889600 61.1034 117.068 13.4038 67.6734 66.7703 144.112 -71.2221 76.2882 141.455 PRESSAVG: 2889600 25.4631 23.412 -13.8717 23.4121 -11.5885 -8.46458 -13.8717 -8.46467 -11.4626 GPRESSAVG: 2889600 25.6581 22.1469 -13.0265 25.8176 -12.4414 -4.56223 -13.8906 -12.1844 -10.5397 TIMING: 2889600 CPU: 8614.56, 0.00296847/step Wall: 8614.56, 0.00296847/step, 1.74018 hours remaining, 206.261719 MB of memory in use. ENERGY: 2889600 738.3565 2130.0727 1961.6922 111.8525 -206453.2036 17745.1722 0.0000 0.0000 34353.5218 -149412.5356 300.0179 -183766.0574 -149313.0793 299.0116 55.7420 89.7764 556664.8841 0.8040 0.8923 PRESSURE: 2889800 -68.9294 -1.17029 67.4423 -1.17053 -142.51 -26.6601 67.4414 -26.6607 -220.281 GPRESSURE: 2889800 41.6032 -5.50005 62.9605 58.6 -192.918 -8.71088 55.8074 -67.6769 -184.837 PRESSAVG: 2889800 80.0061 -8.11153 -17.124 -8.11159 -30.9988 26.5654 -17.124 26.5655 -28.4308 GPRESSAVG: 2889800 80.3 -6.84923 -18.0564 -9.22691 -30.0837 26.6068 -16.6113 26.4826 -30.2616 TIMING: 2889800 CPU: 8615.16, 0.00298114/step Wall: 8615.16, 0.00298114/step, 1.74744 hours remaining, 206.261719 MB of memory in use. ENERGY: 2889800 743.9493 2081.7186 1965.2990 107.8518 -205897.5342 17510.5820 0.0000 0.0000 34116.3716 -149371.7621 297.9468 -183488.1336 -149273.5557 298.8193 -143.9069 -112.0506 557314.6715 6.8589 6.6516 PRESSURE: 2890000 195.416 17.4878 -132.242 17.4884 72.7044 -19.9141 -132.242 -19.9141 135.885 GPRESSURE: 2890000 232.492 -133.546 -51.4363 139.956 54.8715 76.5254 -176.964 -95.7346 216.419 PRESSAVG: 2890000 -44.8022 -24.4592 51.7471 -24.4591 -35.0432 13.7803 51.7472 13.7801 62.5275 GPRESSAVG: 2890000 -45.6935 -25.4953 52.1809 -23.3032 -35.4356 13.2344 52.7857 15.6623 63.8619 TIMING: 2890000 CPU: 8615.75, 0.00298313/step Wall: 8615.75, 0.00298313/step, 1.74845 hours remaining, 206.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2890000 709.4731 2110.3050 1911.6191 127.5426 -206476.5394 17975.3787 0.0000 0.0000 34291.0492 -149351.1717 299.4723 -183642.2209 -149261.1006 298.4817 134.6685 167.9275 555431.6350 -5.7726 -5.7557 PRESSURE: 2890200 -67.2429 28.2169 -6.95285 28.2176 4.02594 1.53134 -6.95321 1.5319 -127.519 GPRESSURE: 2890200 -53.6134 76.8008 18.0235 -17.3569 51.4005 -5.85204 -75.459 10.633 -88.1517 PRESSAVG: 2890200 -58.9305 -2.72586 23.6098 -2.72605 55.2642 -18.1766 23.6098 -18.1766 -6.2143 GPRESSAVG: 2890200 -57.151 -2.64277 21.7087 -4.41035 55.9777 -17.3674 23.4294 -18.33 -8.71599 TIMING: 2890200 CPU: 8616.34, 0.0029503/step Wall: 8616.34, 0.0029503/step, 1.72904 hours remaining, 206.261719 MB of memory in use. ENERGY: 2890200 720.3477 2113.9435 1932.5275 126.3902 -206015.8707 17760.6672 0.0000 0.0000 34032.9235 -149329.0711 297.2180 -183361.9946 -149234.6205 299.4896 -63.5787 -30.1216 557930.8471 -3.2935 -3.2964 PRESSURE: 2890400 83.4246 11.2855 -94.0018 11.2861 -38.4329 -71.3587 -94.0021 -71.358 -60.1917 GPRESSURE: 2890400 90.8535 -19.8526 -69.6959 43.8806 30.684 -38.7285 -130.48 -97.8311 -42.8224 PRESSAVG: 2890400 17.5747 -34.3068 -18.8391 -34.3067 48.0651 -19.6317 -18.8391 -19.6316 -40.3586 GPRESSAVG: 2890400 15.7717 -34.4577 -18.1066 -32.6004 47.3547 -20.0009 -18.99 -20.8423 -37.4025 TIMING: 2890400 CPU: 8616.93, 0.00295714/step Wall: 8616.93, 0.00295714/step, 1.73288 hours remaining, 206.261719 MB of memory in use. ENERGY: 2890400 708.0838 2090.9568 1970.8991 137.8931 -206159.4140 17776.4641 0.0000 0.0000 34064.4877 -149410.6295 297.4936 -183475.1172 -149317.1188 299.4152 -5.0667 26.2383 556846.2176 8.4271 8.5746 PRESSURE: 2890600 -151.469 -97.18 225.564 -97.1802 -16.4231 -1.57835 225.564 -1.57982 -103.421 GPRESSURE: 2890600 -141.352 -127.267 133.737 -53.557 -34.6709 -21.5245 208.567 17.3449 -18.7865 PRESSAVG: 2890600 19.8482 -2.12947 12.7624 -2.12953 -15.3429 23.327 12.7624 23.3269 -5.37439 GPRESSAVG: 2890600 21.4474 -0.68522 11.7987 -5.36721 -15.6529 22.7742 14.5841 24.4381 -6.34562 TIMING: 2890600 CPU: 8617.53, 0.00298694/step Wall: 8617.53, 0.00298694/step, 1.75018 hours remaining, 206.261719 MB of memory in use. ENERGY: 2890600 753.6974 2128.6841 1950.3596 114.6154 -206640.3694 17786.3618 0.0000 0.0000 34349.6619 -149556.9893 299.9841 -183906.6512 -149469.3719 298.3660 -90.4376 -64.9364 555824.1077 -0.2897 -0.1837 PRESSURE: 2890800 -143.639 16.4106 126.522 16.4108 -232.727 76.2692 126.523 76.2679 -166.152 GPRESSURE: 2890800 -101.586 34.6814 104.052 15.5558 -226.651 114.873 76.4014 0.394028 -124.955 PRESSAVG: 2890800 22.7158 -65.8259 -0.425579 -65.8261 26.1043 -29.597 -0.425635 -29.5969 -31.6904 GPRESSAVG: 2890800 22.1014 -67.6817 1.20912 -64.5428 27.1574 -30.8419 -1.42217 -28.98 -31.8527 TIMING: 2890800 CPU: 8618.13, 0.00297358/step Wall: 8618.13, 0.00297358/step, 1.74219 hours remaining, 206.261719 MB of memory in use. ENERGY: 2890800 771.0717 2109.6138 1956.1525 117.1579 -206407.2679 17593.4900 0.0000 0.0000 34127.1920 -149732.5901 298.0413 -183859.7820 -149631.0978 298.9020 -180.8392 -151.0640 557715.0900 5.7099 5.8020 PRESSURE: 2891000 161.581 -142.857 -19.6579 -142.858 56.9591 76.4911 -19.6585 76.4906 127.54 GPRESSURE: 2891000 198.084 -71.6354 -98.842 -143.219 77.7655 78.3956 -76.5579 97.4739 157.881 PRESSAVG: 2891000 33.8919 -48.9239 -15.6333 -48.924 18.1157 -9.25443 -15.6332 -9.25452 1.1932 GPRESSAVG: 2891000 32.8649 -50.1348 -16.6087 -46.7271 18.1202 -7.9129 -15.8747 -9.07338 2.06243 TIMING: 2891000 CPU: 8618.72, 0.00297594/step Wall: 8618.72, 0.00297594/step, 1.74341 hours remaining, 206.261719 MB of memory in use. ENERGY: 2891000 753.8542 2164.3477 1930.0703 105.2433 -206402.8403 17804.5479 0.0000 0.0000 34012.6588 -149632.1180 297.0410 -183644.7768 -149540.9859 298.3326 115.3601 144.5768 554975.9511 17.7336 17.6825 PRESSURE: 2891200 235.731 29.4208 87.7337 29.421 -10.2816 79.8094 87.7339 79.8103 162.421 GPRESSURE: 2891200 310.309 108.234 159.981 -8.14851 20.2481 69.7965 93.0695 100.604 162.761 PRESSAVG: 2891200 47.8785 -49.5478 -74.73 -49.5478 -65.9614 9.74142 -74.7301 9.74146 40.2623 GPRESSAVG: 2891200 47.3237 -48.578 -75.9622 -48.3161 -65.7231 10.8913 -73.7906 7.68011 39.7457 TIMING: 2891200 CPU: 8619.31, 0.00295534/step Wall: 8619.31, 0.00295535/step, 1.73118 hours remaining, 206.261719 MB of memory in use. ENERGY: 2891200 749.1814 2123.2958 1943.4001 109.3728 -206525.3137 17866.6728 0.0000 0.0000 34303.9673 -149429.4234 299.5851 -183733.3907 -149324.1667 298.5529 129.2901 164.4395 554801.4386 7.3932 7.1154 PRESSURE: 2891400 -88.866 -22.0602 -108.449 -22.06 -33.7568 -64.3167 -108.449 -64.3158 132.044 GPRESSURE: 2891400 -62.6213 -66.3726 -208.494 -17.6638 -5.61214 -119.691 -101.926 -141.067 169.978 PRESSAVG: 2891400 -5.57898 -92.6539 -19.5655 -92.6539 -4.2253 25.8604 -19.5655 25.8604 -24.5823 GPRESSAVG: 2891400 -3.40332 -93.3592 -17.9368 -95.2863 -5.66571 23.9351 -21.5376 26.9709 -25.471 TIMING: 2891400 CPU: 8619.91, 0.00296611/step Wall: 8619.91, 0.00296611/step, 1.73732 hours remaining, 206.261719 MB of memory in use. ENERGY: 2891400 749.4438 2063.5206 1928.1745 115.6671 -206067.6236 17608.5142 0.0000 0.0000 34119.8816 -149482.4219 297.9774 -183602.3035 -149388.7722 299.1400 3.1402 33.9149 556913.3092 -11.4622 -11.5133 PRESSURE: 2891600 10.3431 -17.0796 111.705 -17.0799 275.773 21.5182 111.705 21.5185 -64.6411 GPRESSURE: 2891600 63.4448 -29.5245 86.1378 -62.4502 272.864 50.705 33.2206 2.19065 -19.5845 PRESSAVG: 2891600 32.3557 5.83731 -57.0261 5.83723 20.4996 8.86569 -57.0261 8.86568 -34.2571 GPRESSAVG: 2891600 31.3984 5.95375 -55.9497 5.95048 20.2126 9.02152 -58.933 9.47958 -32.4121 TIMING: 2891600 CPU: 8620.5, 0.00295381/step Wall: 8620.5, 0.00295381/step, 1.72995 hours remaining, 206.261719 MB of memory in use. ENERGY: 2891600 753.8247 2070.4209 1911.6527 110.5612 -206637.9465 18097.1135 0.0000 0.0000 34327.2184 -149367.1551 299.7881 -183694.3735 -149263.1048 298.8446 73.8249 105.5746 557107.3654 6.1994 6.3996 PRESSURE: 2891800 87.7752 -28.6268 -173.429 -28.6279 125.901 -41.4657 -173.428 -41.4669 -104.979 GPRESSURE: 2891800 89.2255 30.8431 -188.594 -63.9016 181.433 -44.5052 -145.563 -92.7453 -53.1115 PRESSAVG: 2891800 -11.0746 -24.7299 36.8151 -24.73 44.5181 -17.7324 36.815 -17.7325 -53.9079 GPRESSAVG: 2891800 -12.0938 -23.0295 34.7755 -26.4742 45.8306 -14.6417 39.5481 -18.7249 -54.2394 TIMING: 2891800 CPU: 8621.09, 0.00295409/step Wall: 8621.09, 0.0029541/step, 1.72995 hours remaining, 206.261719 MB of memory in use. ENERGY: 2891800 750.9210 2129.1977 1898.1762 95.4643 -206306.2469 17980.1836 0.0000 0.0000 34257.7022 -149194.6020 299.1810 -183452.3042 -149090.1531 298.9562 36.2324 72.5157 557633.3690 -6.8215 -6.8342 PRESSURE: 2892000 -113.645 278.058 -7.20352 278.06 -80.4759 -134.368 -7.20295 -134.369 -79.8749 GPRESSURE: 2892000 -65.6038 257.373 14.8459 257.287 -23.9768 -47.8761 46.3767 -57.858 -83.0503 PRESSAVG: 2892000 -29.6692 -13.9079 47.4751 -13.9079 81.2826 -10.7243 47.4749 -10.7243 -42.765 GPRESSAVG: 2892000 -28.9148 -16.1051 48.5956 -12.7492 80.5889 -12.2113 48.4712 -9.54538 -43.486 TIMING: 2892000 CPU: 8621.68, 0.0029498/step Wall: 8621.68, 0.0029498/step, 1.72727 hours remaining, 206.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2892000 780.6990 2065.7507 1940.9873 115.6707 -206040.6835 17652.7334 0.0000 0.0000 34209.4265 -149275.4158 298.7594 -183484.8423 -149172.3691 299.4161 -91.3318 -57.5436 557710.1794 2.9495 2.7294 PRESSURE: 2892200 22.6699 -42.9067 8.34075 -42.9061 40.2573 -29.0081 8.34175 -29.0074 -28.8768 GPRESSURE: 2892200 29.6452 -5.40848 40.1636 -65.0615 100.179 -37.4103 -6.53381 -63.2235 6.44474 PRESSAVG: 2892200 -24.9058 -29.1724 -6.8739 -29.1724 49.7395 -22.3898 -6.87388 -22.3899 27.5307 GPRESSAVG: 2892200 -25.0233 -29.4063 -5.41328 -27.9567 49.9467 -24.2755 -10.1741 -21.656 27.5716 TIMING: 2892200 CPU: 8622.27, 0.00296135/step Wall: 8622.27, 0.00296135/step, 1.73387 hours remaining, 206.261719 MB of memory in use. ENERGY: 2892200 726.5860 2120.3087 1958.4651 116.2032 -206019.3731 17826.1857 0.0000 0.0000 34014.9472 -149256.6771 297.0610 -183271.6243 -149162.2953 299.6515 11.3501 45.4228 558452.8742 17.4548 17.4983 LDB: ============= START OF LOAD BALANCING ============== 8625.82 LDB: ============== END OF LOAD BALANCING =============== 8625.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8625.82 LDB: ============= START OF LOAD BALANCING ============== 8626.12 LDB: Largest compute 4773 load 0.028511 is 24.1% of average load 0.118267 LDB: Average compute 0.001736 is 1.5% of average load 0.118267 LDB: TIME 8626.12 LOAD: AVG 0.118267 MAX 0.201835 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 8626.12 LOAD: AVG 0.118267 MAX 0.201835 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.512 MB LDB: TIME 8626.12 LOAD: AVG 0.118267 MAX 0.201835 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.512 MB LDB: ============== END OF LOAD BALANCING =============== 8626.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8626.13 PRESSURE: 2892400 469.141 11.2857 -85.0491 11.2836 -5.35938 -28.0715 -85.047 -28.0711 -80.6697 GPRESSURE: 2892400 437.573 73.8602 -117.705 16.2432 50.2327 -77.5478 -51.8009 -10.5289 -3.77648 PRESSAVG: 2892400 7.08965 -59.8669 40.1482 -59.867 6.79191 -0.525962 40.1483 -0.52603 -5.26988 GPRESSAVG: 2892400 7.03815 -59.9211 38.7167 -61.0998 7.41368 1.6625 40.9432 -2.01405 -5.83486 TIMING: 2892400 CPU: 8622.88, 0.00304028/step Wall: 8622.88, 0.00304028/step, 1.77991 hours remaining, 206.734375 MB of memory in use. ENERGY: 2892400 748.2129 2067.7494 1937.1670 109.4083 -206484.1860 18122.3336 0.0000 0.0000 34315.3670 -149183.9479 299.6846 -183499.3148 -149091.6596 298.8497 127.7038 161.3429 558549.2480 2.8706 2.8723 PRESSURE: 2892600 -228.989 -128.846 73.1417 -128.845 -244.695 -109.45 73.1412 -109.451 -429.25 GPRESSURE: 2892600 -186.222 -168.331 95.383 -183.718 -228.69 -114.219 79.9203 -52.6117 -387.801 PRESSAVG: 2892600 28.1806 -69.5398 -49.2293 -69.5397 -18.2909 1.33645 -49.2292 1.33648 -43.0501 GPRESSAVG: 2892600 29.7596 -69.281 -49.6798 -67.6003 -19.4021 1.73975 -47.9963 0.95339 -43.3578 TIMING: 2892600 CPU: 8623.47, 0.00296787/step Wall: 8623.47, 0.00296787/step, 1.73736 hours remaining, 206.933594 MB of memory in use. ENERGY: 2892600 740.6290 2043.5699 1951.4115 120.2588 -205779.5146 17536.6638 0.0000 0.0000 34326.5002 -149060.4814 299.7819 -183386.9816 -148969.6244 299.9566 -300.9782 -267.5709 560894.0230 -11.0535 -11.0001 PRESSURE: 2892800 -87.4628 -14.1411 30.9013 -14.1409 116.557 -124.416 30.9024 -124.417 -27.9306 GPRESSURE: 2892800 -72.2985 122.861 109.739 -39.2677 156.79 -126.333 -32.5343 -110.867 23.1474 PRESSAVG: 2892800 -42.7031 7.45029 -28.4288 7.45032 -10.4676 27.6123 -28.4288 27.6123 53.8824 GPRESSAVG: 2892800 -43.4167 7.41356 -26.7431 6.81723 -11.5358 25.0192 -30.49 29.12 55.4557 TIMING: 2892800 CPU: 8624.06, 0.00294941/step Wall: 8624.06, 0.00294941/step, 1.72639 hours remaining, 206.933594 MB of memory in use. ENERGY: 2892800 740.0806 2070.6783 1929.3072 114.8980 -206211.2915 17895.6384 0.0000 0.0000 34463.8960 -148996.7931 300.9818 -183460.6891 -148894.5734 300.0336 0.3880 35.8795 559098.9703 0.2372 0.1677 PRESSURE: 2893000 -208.709 -33.4979 103.045 -33.4992 -192.095 111.103 103.045 111.104 -51.9051 GPRESSURE: 2893000 -129.548 23.1123 62.3369 15.3026 -181.147 16.6237 170.668 177.278 -35.0992 PRESSAVG: 2893000 -55.1454 12.4704 35.063 12.4704 14.6621 35.1198 35.063 35.1199 1.76569 GPRESSAVG: 2893000 -55.6807 13.7179 32.145 10.9134 15.5449 34.707 37.1532 33.9043 1.13175 TIMING: 2893000 CPU: 8624.66, 0.00296844/step Wall: 8624.66, 0.00296844/step, 1.73736 hours remaining, 206.933594 MB of memory in use. ENERGY: 2893000 774.5868 2111.9923 1946.0008 121.0682 -205761.0105 17533.2098 0.0000 0.0000 34499.3904 -148774.7621 301.2918 -183274.1525 -148676.0696 300.3730 -150.9032 -115.2646 558469.2384 -12.9059 -13.0014 PRESSURE: 2893200 312.013 -77.8336 -114.241 -77.8331 9.18302 44.5539 -114.241 44.5533 -49.4244 GPRESSURE: 2893200 326.856 -14.9457 -179.077 -60.6124 25.5781 -34.0619 -154.187 167.471 7.52415 PRESSAVG: 2893200 17.1415 -7.39807 -68.5093 -7.39808 8.78025 -9.84386 -68.5093 -9.84388 -40.3767 GPRESSAVG: 2893200 17.1618 -6.7146 -68.193 -5.79479 9.92153 -8.60202 -68.0913 -9.40499 -41.8817 TIMING: 2893200 CPU: 8625.24, 0.00293927/step Wall: 8625.24, 0.00293927/step, 1.72012 hours remaining, 206.933594 MB of memory in use. ENERGY: 2893200 767.2481 2070.2189 1954.7095 120.9509 -206087.3249 17904.6032 0.0000 0.0000 34524.1106 -148745.4837 301.5076 -183269.5943 -148656.4968 301.3647 90.5905 119.9860 558050.9853 -4.8183 -4.9328 PRESSURE: 2893400 -97.3705 -93.5244 -71.9746 -93.5248 19.0921 84.8387 -71.9738 84.8384 0.00199425 GPRESSURE: 2893400 -30.8852 -20.2459 -144.227 -111.48 59.7548 65.7391 -54.4335 96.9622 -11.1131 PRESSAVG: 2893400 -37.7304 -12.5869 -38.4851 -12.5869 15.5278 15.0267 -38.4852 15.0266 27.6699 GPRESSAVG: 2893400 -38.8268 -14.0216 -37.5243 -14.2191 14.3316 14.0955 -40.3265 16.409 29.8706 TIMING: 2893400 CPU: 8625.84, 0.00296246/step Wall: 8625.84, 0.00296246/step, 1.73353 hours remaining, 206.933594 MB of memory in use. ENERGY: 2893400 757.8695 2015.4601 1938.4756 100.4218 -205815.2606 17720.9726 0.0000 0.0000 34298.1543 -148983.9067 299.5343 -183282.0610 -148889.7366 300.2529 -26.0921 5.9188 558455.4977 1.8225 1.7918 PRESSURE: 2893600 -242.694 21.3093 -86.9265 21.3084 -8.27815 95.3744 -86.9269 95.3742 -30.9976 GPRESSURE: 2893600 -194.522 74.6787 -68.9534 -67.7197 -6.62793 50.095 -16.684 168.21 25.6956 PRESSAVG: 2893600 -19.0358 -35.7821 16.0147 -35.782 40.9212 57.8493 16.0147 57.8493 3.57322 GPRESSAVG: 2893600 -17.5391 -35.2066 13.5121 -33.6061 41.2053 59.4774 18.3031 55.8622 2.16739 TIMING: 2893600 CPU: 8626.42, 0.00293978/step Wall: 8626.42, 0.00293978/step, 1.7201 hours remaining, 206.933594 MB of memory in use. ENERGY: 2893600 747.4077 2081.7114 1914.9721 99.3889 -205921.6125 17689.3932 0.0000 0.0000 34323.7622 -149064.9770 299.7580 -183388.7392 -148962.5812 299.8023 -93.9898 -58.4847 558168.9630 8.4862 8.6112 PRESSURE: 2893800 -212.415 -59.2606 36.7935 -59.2618 19.092 80.0458 36.7925 80.0458 30.7204 GPRESSURE: 2893800 -123.775 -53.9694 60.1423 -28.3305 41.5058 147.233 24.2785 90.3138 25.2084 PRESSAVG: 2893800 -9.54702 -61.1287 9.29843 -61.1288 18.1647 -11.5155 9.29852 -11.5155 -3.16631 GPRESSAVG: 2893800 -11.07 -60.3434 11.2603 -62.0533 19.0744 -9.55539 6.70747 -11.1827 -2.97381 TIMING: 2893800 CPU: 8627.02, 0.00297327/step Wall: 8627.02, 0.00297327/step, 1.73953 hours remaining, 206.933594 MB of memory in use. ENERGY: 2893800 743.4768 2042.6334 1917.4938 114.1772 -206344.8206 17997.1881 0.0000 0.0000 34382.1898 -149147.6614 300.2682 -183529.8512 -149049.5385 299.9531 -54.2009 -19.0204 557770.9362 1.8171 1.6769 PRESSURE: 2894000 -205.768 76.4532 44.2733 76.4528 -5.88597 54.2434 44.274 54.2447 201.696 GPRESSURE: 2894000 -181.827 121.196 66.628 -2.53066 10.9962 91.0778 -22.7663 154.189 282.62 PRESSAVG: 2894000 -41.615 -13.3279 -23.7125 -13.328 28.8724 48.9416 -23.7125 48.9417 39.7804 GPRESSAVG: 2894000 -39.0142 -12.7594 -23.2735 -14.7797 27.4165 47.0136 -22.9147 49.6327 38.7545 TIMING: 2894000 CPU: 8627.61, 0.00297733/step Wall: 8627.61, 0.00297734/step, 1.74174 hours remaining, 206.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2894000 757.3735 2131.5775 1959.2310 120.0358 -206358.0886 17924.3008 0.0000 0.0000 34438.2079 -149027.3622 300.7574 -183465.5700 -148927.2653 300.3219 -3.3195 37.2631 556131.3153 9.0126 9.0523 PRESSURE: 2894200 -163.496 142.089 -151.256 142.089 120.217 129.574 -151.257 129.574 -33.0355 GPRESSURE: 2894200 -108.63 124.562 -182.91 169.303 174.663 68.9343 -121.377 149.103 -47.1964 PRESSAVG: 2894200 -42.6829 33.0252 -2.62211 33.0251 3.66861 12.9589 -2.62217 12.9588 37.9944 GPRESSAVG: 2894200 -44.4511 31.9993 -4.11935 34.8522 4.12589 14.4283 -2.60081 12.4372 39.5178 TIMING: 2894200 CPU: 8628.21, 0.00298707/step Wall: 8628.21, 0.00298707/step, 1.74727 hours remaining, 206.933594 MB of memory in use. ENERGY: 2894200 769.7285 2032.7866 1930.4003 110.7362 -206324.8563 17781.7669 0.0000 0.0000 34569.1443 -149130.2935 301.9009 -183699.4379 -149031.6983 300.1184 -25.4382 6.2787 556808.8972 -0.3400 -0.2691 PRESSURE: 2894400 61.8563 -94.2272 -4.32675 -94.2263 155.5 -187.295 -4.32662 -187.296 123.306 GPRESSURE: 2894400 37.5563 -161.036 39.7708 -10.3682 190.523 -122.284 69.4148 -180.352 191.758 PRESSAVG: 2894400 23.1925 -17.0135 -27.2503 -17.0135 7.67259 22.8891 -27.2503 22.889 -15.5183 GPRESSAVG: 2894400 24.0855 -17.4827 -25.2842 -15.2188 7.37972 19.8256 -26.0939 23.8086 -16.197 TIMING: 2894400 CPU: 8628.8, 0.00296135/step Wall: 8628.8, 0.00296135/step, 1.73206 hours remaining, 206.933594 MB of memory in use. ENERGY: 2894400 728.7557 2114.6662 1930.1165 106.1782 -206373.2603 17986.4255 0.0000 0.0000 34315.7927 -149191.3253 299.6884 -183507.1181 -149091.8422 299.7603 113.5543 139.9459 556993.0313 5.1156 5.0894 PRESSURE: 2894600 -60.3345 114.717 -169.671 114.717 -65.9952 10.1227 -169.671 10.1213 -155.418 GPRESSURE: 2894600 -42.9585 76.4994 -199.121 130.67 -55.4255 -8.91522 -157.198 56.4276 -102.516 PRESSAVG: 2894600 4.67469 -44.9192 -47.0966 -44.9193 48.2038 -18.9976 -47.0967 -18.9976 -36.6181 GPRESSAVG: 2894600 3.08361 -44.0082 -47.5278 -47.8081 48.6599 -17.6072 -45.3706 -19.9646 -35.6755 TIMING: 2894600 CPU: 8629.4, 0.00297961/step Wall: 8629.4, 0.00297961/step, 1.74258 hours remaining, 206.933594 MB of memory in use. ENERGY: 2894600 758.9468 2109.8049 1936.1387 109.6637 -206072.7581 17788.9967 0.0000 0.0000 34366.9967 -149002.2105 300.1355 -183369.2072 -148905.7221 300.1485 -93.9159 -66.9666 557196.2194 5.4201 5.3560 PRESSURE: 2894800 -193.391 -87.2179 -86.7282 -87.2188 -300.553 -124.222 -86.7285 -124.22 -110.938 GPRESSURE: 2894800 -235.503 -61.7157 -95.2873 -91.5317 -226.404 -294.524 -70.6653 -91.8115 -47.0739 PRESSAVG: 2894800 17.2569 -12.0322 1.19351 -12.0322 67.1123 3.29235 1.19347 3.29237 -40.2004 GPRESSAVG: 2894800 17.6562 -11.2173 1.43445 -11.6659 67.0247 4.02961 0.141065 3.7779 -40.5614 TIMING: 2894800 CPU: 8629.99, 0.0029581/step Wall: 8629.99, 0.0029581/step, 1.72983 hours remaining, 206.933594 MB of memory in use. ENERGY: 2894800 748.8636 2124.7936 1926.3523 112.4270 -206237.5204 17670.4493 0.0000 0.0000 34446.4711 -149208.1633 300.8296 -183654.6345 -149117.3030 300.1127 -201.6275 -169.6600 557832.3967 14.7229 14.7065 PRESSURE: 2895000 -247.882 -20.8899 -62.832 -20.8899 -220.45 107.165 -62.8329 107.164 -139.131 GPRESSURE: 2895000 -232.625 0.767372 -11.2336 -18.6418 -180.3 98.1885 -43.6872 146.191 -92.389 PRESSAVG: 2895000 -8.13067 -15.3474 3.67961 -15.3473 6.69888 32.786 3.67954 32.786 -14.5872 GPRESSAVG: 2895000 -8.6887 -14.9948 1.93494 -16.5486 7.37363 31.2005 3.31228 33.9155 -13.9549 TIMING: 2895000 CPU: 8630.58, 0.00296075/step Wall: 8630.58, 0.00296075/step, 1.73122 hours remaining, 206.933594 MB of memory in use. ENERGY: 2895000 725.4471 2094.0889 1943.0849 106.6101 -205681.5859 17465.0771 0.0000 0.0000 34404.6206 -148942.6572 300.4641 -183347.2778 -148845.7750 299.7735 -202.4873 -168.4379 557933.1456 -5.3397 -5.0900 PRESSURE: 2895200 -99.7443 -25.6953 67.5472 -25.6958 160.336 -25.3288 67.5466 -25.3298 97.6748 GPRESSURE: 2895200 -69.1615 -29.1749 67.6915 1.21245 240.401 -38.5532 81.795 -43.2176 83.9213 PRESSAVG: 2895200 -19.591 -9.81836 -26.7975 -9.81833 -78.1887 -37.1574 -26.7975 -37.1574 63.2514 GPRESSAVG: 2895200 -18.4343 -11.985 -26.5241 -7.27428 -78.854 -35.5728 -24.489 -39.1497 62.5968 TIMING: 2895200 CPU: 8631.18, 0.00296635/step Wall: 8631.18, 0.00296635/step, 1.73433 hours remaining, 206.933594 MB of memory in use. ENERGY: 2895200 717.0970 2170.7205 1925.4437 130.9048 -206130.5228 17786.2445 0.0000 0.0000 34416.7834 -148983.3290 300.5703 -183400.1123 -148882.2764 300.1662 52.7553 85.0537 556219.3520 -11.5094 -11.5639 PRESSURE: 2895400 120.536 3.52544 -210.071 3.52633 -127.424 -115.072 -210.07 -115.073 -136.766 GPRESSURE: 2895400 128.239 -21.8348 -303.078 57.5132 -72.6951 -151.333 -150.59 -13.017 -96.7927 PRESSAVG: 2895400 -53.4004 -7.21326 -42.0027 -7.21316 25.6301 -82.1763 -42.0026 -82.1763 76.6942 GPRESSAVG: 2895400 -53.0915 -4.37703 -40.5932 -6.72644 26.6455 -81.2775 -45.6169 -81.9527 75.4956 TIMING: 2895400 CPU: 8631.77, 0.00297386/step Wall: 8631.77, 0.00297385/step, 1.73855 hours remaining, 206.933594 MB of memory in use. ENERGY: 2895400 770.3519 2075.1382 1921.9032 111.9300 -206028.1476 17718.0403 0.0000 0.0000 34324.2999 -149106.4841 299.7626 -183430.7840 -149006.6802 300.0418 -47.8844 -13.7496 558096.8944 16.3079 16.3499 PRESSURE: 2895600 41.1599 -52.0536 87.5531 -52.0539 -86.5278 -135.93 87.5533 -135.932 -98.174 GPRESSURE: 2895600 82.9813 42.5706 97.8135 -47.9004 -40.7094 -68.7091 106.696 -178.764 -86.3715 PRESSAVG: 2895600 -18.1673 16.3493 -54.4708 16.3493 48.5396 -43.3516 -54.4709 -43.3517 19.4568 GPRESSAVG: 2895600 -18.286 14.3052 -54.8485 15.6877 49.3498 -44.3417 -52.8912 -44.1475 18.9853 TIMING: 2895600 CPU: 8632.37, 0.00298234/step Wall: 8632.37, 0.00298234/step, 1.74335 hours remaining, 206.933594 MB of memory in use. ENERGY: 2895600 728.7539 2129.8291 1941.9923 112.4070 -205952.4352 17730.1770 0.0000 0.0000 34308.6640 -149000.6120 299.6261 -183309.2759 -148908.5142 300.5343 -47.8473 -14.6999 559483.4992 16.6097 16.6830 PRESSURE: 2895800 -84.8714 -168.15 42.4954 -168.149 90.8618 206.511 42.4941 206.511 172.07 GPRESSURE: 2895800 -0.787719 -112.981 3.8121 -121.066 100.21 222.858 70.4849 180.433 176.509 PRESSAVG: 2895800 -28.3301 -40.3284 -21.6817 -40.3284 21.9077 -3.05639 -21.6817 -3.0564 -36.6322 GPRESSAVG: 2895800 -28.4485 -41.9269 -20.4907 -41.5626 21.9169 -3.72974 -22.3884 -2.3245 -35.8405 TIMING: 2895800 CPU: 8632.96, 0.00297436/step Wall: 8632.96, 0.00297436/step, 1.73851 hours remaining, 206.933594 MB of memory in use. ENERGY: 2895800 740.7791 2141.0395 1929.3969 112.6100 -206210.5980 17928.3827 0.0000 0.0000 34319.2237 -149039.1660 299.7183 -183358.3897 -148944.0643 300.0742 59.3534 91.9771 558196.2229 -14.3516 -14.1240 PRESSURE: 2896000 -41.4599 -125.058 -4.96222 -125.057 36.2892 -71.437 -4.96042 -71.4374 -10.1948 GPRESSURE: 2896000 -44.027 -170.765 -151.892 -134.752 51.3492 -40.3562 74.5673 -147.149 80.9567 PRESSAVG: 2896000 33.6795 -5.78041 2.05497 -5.78038 39.0398 -23.5813 2.05502 -23.5814 -33.3808 GPRESSAVG: 2896000 33.7892 -4.40053 -0.267847 -4.98023 37.8477 -22.324 4.37248 -25.7883 -32.073 TIMING: 2896000 CPU: 8633.56, 0.00298215/step Wall: 8633.56, 0.00298215/step, 1.7429 hours remaining, 206.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2896000 738.6861 2126.3907 1949.6469 106.5166 -205811.0717 17735.3766 0.0000 0.0000 34131.7364 -149022.7184 298.0809 -183154.4548 -148930.0490 299.4803 -5.1218 29.4263 559049.8785 13.1129 13.1879 PRESSURE: 2896200 -25.0246 -127.147 -249.937 -127.147 -141.731 -34.0092 -249.937 -34.0089 108.404 GPRESSURE: 2896200 1.15632 -94.3056 -166.499 -86.2733 -115.677 -41.4408 -307.426 -82.43 145.853 PRESSAVG: 2896200 -54.6046 4.29628 8.15674 4.29623 5.22524 7.27643 8.15679 7.27634 33.5317 GPRESSAVG: 2896200 -54.1969 3.81498 9.57115 5.02586 5.4515 7.71103 8.44134 9.22356 32.2346 TIMING: 2896200 CPU: 8634.15, 0.0029586/step Wall: 8634.15, 0.0029586/step, 1.72897 hours remaining, 206.933594 MB of memory in use. ENERGY: 2896200 719.1924 2134.3208 1950.3578 106.0031 -206501.4887 17931.4845 0.0000 0.0000 34454.8960 -149205.2341 300.9032 -183660.1301 -149116.4429 299.9351 -19.4504 10.4440 558643.2732 -5.2826 -5.5036 LDB: ============= START OF LOAD BALANCING ============== 8637.7 LDB: ============== END OF LOAD BALANCING =============== 8637.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8637.7 LDB: ============= START OF LOAD BALANCING ============== 8638 LDB: Largest compute 4773 load 0.026731 is 22.6% of average load 0.118230 LDB: Average compute 0.001739 is 1.5% of average load 0.118230 LDB: TIME 8638 LOAD: AVG 0.11823 MAX 0.199403 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 8638 LOAD: AVG 0.11823 MAX 0.199403 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 8638 LOAD: AVG 0.11823 MAX 0.199403 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8638 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8638 PRESSURE: 2896400 33.5742 83.2878 -72.9152 83.2881 45.6544 -57.7909 -72.9137 -57.7912 -36.3986 GPRESSURE: 2896400 89.0724 88.0309 -78.1601 21.9671 77.8147 -35.9178 -104.73 -73.6865 -39.7272 PRESSAVG: 2896400 -61.1087 3.34418 -42.1685 3.34422 -40.7927 0.648833 -42.1684 0.648744 55.8809 GPRESSAVG: 2896400 -61.4755 3.82179 -41.7194 3.76583 -40.0065 1.63303 -43.1477 -0.323322 55.5179 TIMING: 2896400 CPU: 8634.75, 0.00301497/step Wall: 8634.75, 0.00301497/step, 1.76175 hours remaining, 206.734375 MB of memory in use. ENERGY: 2896400 754.5723 2122.2264 1920.5638 113.2400 -206394.9973 17870.2592 0.0000 0.0000 34407.3855 -149206.7500 300.4883 -183614.1355 -149107.6563 299.6995 14.2766 42.3866 557313.4604 -15.3402 -15.3213 PRESSURE: 2896600 -260.675 -165.242 53.0163 -165.242 -43.9811 -28.6733 53.0161 -28.6736 -3.39189 GPRESSURE: 2896600 -264.925 -174.693 139.013 -205.903 20.7202 -61.2706 71.8525 -67.4027 23.9391 PRESSAVG: 2896600 51.3077 -25.4576 -6.42302 -25.4576 -52.1309 5.552 -6.42296 5.55204 14.0218 GPRESSAVG: 2896600 51.4899 -24.7887 -4.85647 -26.6804 -53.0893 4.69466 -6.20062 5.00604 14.6814 TIMING: 2896600 CPU: 8635.34, 0.00293705/step Wall: 8635.34, 0.00293705/step, 1.71605 hours remaining, 206.734375 MB of memory in use. ENERGY: 2896600 767.5421 2068.3964 1926.1287 117.9729 -206247.3930 17749.2494 0.0000 0.0000 34404.2465 -149213.8570 300.4608 -183618.1035 -149112.2653 299.5587 -102.6826 -73.4219 558098.5638 4.3995 4.3606 PRESSURE: 2896800 -36.3254 70.9673 194.311 70.9672 -261.423 -93.4554 194.313 -93.455 -96.083 GPRESSURE: 2896800 -7.09426 35.7411 114.685 15.2818 -233.895 -87.2847 177.036 -113.776 -63.5554 PRESSAVG: 2896800 -9.79607 -34.8648 7.91134 -34.8648 -15.1888 -9.10516 7.91135 -9.1051 2.91969 GPRESSAVG: 2896800 -8.66985 -35.1776 5.43499 -35.7326 -15.4286 -10.323 8.64985 -7.41207 1.57309 TIMING: 2896800 CPU: 8635.93, 0.00293754/step Wall: 8635.93, 0.00293754/step, 1.71618 hours remaining, 206.734375 MB of memory in use. ENERGY: 2896800 788.8293 2119.8838 1911.2867 108.8229 -206101.5622 17838.3943 0.0000 0.0000 34091.9646 -149242.3807 297.7336 -183334.3453 -149142.7577 299.0215 -131.2772 -101.5149 558251.6130 -7.3550 -7.5084 PRESSURE: 2897000 260.299 -0.360966 18.2155 -0.359372 55.2482 -66.2386 18.2139 -66.2374 27.3181 GPRESSURE: 2897000 366.462 44.5242 -37.4193 9.42599 57.4144 -56.3755 44.3493 -121.421 16.9005 PRESSAVG: 2897000 39.427 29.9937 13.3252 29.9936 -24.1076 -33.1742 13.3252 -33.1742 18.0453 GPRESSAVG: 2897000 39.0117 29.5168 15.947 31.0143 -23.8647 -34.0182 11.9404 -33.5336 18.5211 TIMING: 2897000 CPU: 8636.52, 0.0029406/step Wall: 8636.52, 0.0029406/step, 1.7178 hours remaining, 206.734375 MB of memory in use. ENERGY: 2897000 756.1045 2123.9296 1951.7834 112.7785 -206316.0530 17970.8711 0.0000 0.0000 34077.1754 -149323.4105 297.6044 -183400.5859 -149226.2249 298.5645 114.2884 146.9256 557203.2320 11.1215 11.2227 PRESSURE: 2897200 -7.78777 97.3182 49.7689 97.3199 -151.684 -40.5083 49.7684 -40.5079 -142.433 GPRESSURE: 2897200 7.09181 69.1882 -22.9413 113.786 -86.2771 -11.3191 100.537 -18.1697 -128.522 PRESSAVG: 2897200 70.9489 12.3368 17.4588 12.3366 -32.7044 11.0237 17.4588 11.0238 -55.2158 GPRESSAVG: 2897200 70.8534 11.2544 15.6778 13.9842 -31.7408 12.495 18.7467 9.78313 -56.7035 TIMING: 2897200 CPU: 8637.11, 0.00298342/step Wall: 8637.11, 0.00298342/step, 1.74265 hours remaining, 206.734375 MB of memory in use. ENERGY: 2897200 771.2186 2138.6367 1967.4193 125.5059 -206212.3740 17653.1861 0.0000 0.0000 34415.5423 -149140.8651 300.5595 -183556.4074 -149049.3574 299.2359 -100.6348 -69.2359 557656.2999 -5.6571 -5.8636 PRESSURE: 2897400 164.963 -33.5301 183.323 -33.531 49.8716 31.9299 183.321 31.9299 -246.281 GPRESSURE: 2897400 175.282 64.1334 116.272 -81.4418 53.5201 9.01332 251.866 56.3284 -167.99 PRESSAVG: 2897400 -30.4173 -54.4235 30.6336 -54.4235 31.7565 9.39346 30.6336 9.39349 9.4502 GPRESSAVG: 2897400 -30.4278 -51.1718 32.155 -57.7855 31.074 9.95479 31.4287 11.7763 10.307 TIMING: 2897400 CPU: 8637.71, 0.00298928/step Wall: 8637.71, 0.00298928/step, 1.74591 hours remaining, 206.734375 MB of memory in use. ENERGY: 2897400 753.3823 2111.5662 1923.9878 119.2783 -205866.7219 17795.4906 0.0000 0.0000 34163.2970 -148999.7197 298.3566 -183163.0167 -148909.1357 299.2754 -10.4822 20.2705 558358.2958 3.5965 3.6511 PRESSURE: 2897600 286.684 -118.578 85.4328 -118.578 193.366 -105.23 85.433 -105.231 307.402 GPRESSURE: 2897600 287.691 -91.5792 170.471 -140.713 229.155 -43.1638 54.8961 -30.3803 370.632 PRESSAVG: 2897600 60.0595 -81.898 49.5587 -81.898 -17.2721 2.71034 49.5588 2.71045 -46.1157 GPRESSAVG: 2897600 61.1033 -84.7547 49.9098 -79.5923 -17.6361 2.48007 48.8761 1.21032 -46.5352 TIMING: 2897600 CPU: 8638.31, 0.00297319/step Wall: 8638.31, 0.00297319/step, 1.73634 hours remaining, 206.734375 MB of memory in use. ENERGY: 2897600 773.0557 2076.0831 1930.3880 111.7281 -206448.5102 18152.5219 0.0000 0.0000 34348.7050 -149056.0284 299.9758 -183404.7334 -148958.1195 300.0852 262.4840 295.8261 557542.6804 -1.1095 -1.0226 PRESSURE: 2897800 -25.5355 125.823 100.815 125.822 127.214 154.675 100.815 154.675 -128.369 GPRESSURE: 2897800 -3.30961 119.205 27.5816 137.965 166.441 143.626 138.754 131.469 -91.9831 PRESSAVG: 2897800 45.3733 -80.7114 7.59199 -80.7113 -2.12452 13.2393 7.59202 13.2391 -43.8488 GPRESSAVG: 2897800 45.2766 -78.1656 5.24728 -82.7341 -2.35874 12.7479 9.02159 14.9363 -43.5448 TIMING: 2897800 CPU: 8638.9, 0.00297849/step Wall: 8638.9, 0.00297849/step, 1.73927 hours remaining, 206.734375 MB of memory in use. ENERGY: 2897800 739.8904 2093.5356 1921.2572 108.2434 -205677.2280 17588.2910 0.0000 0.0000 34273.9618 -148952.0486 299.3230 -183226.0104 -148842.1064 299.9400 -8.8967 23.7160 558189.7657 -0.2000 -0.2090 PRESSURE: 2898000 -227.104 105.281 56.4962 105.282 111.303 -48.4476 56.4962 -48.4469 -1.7033 GPRESSURE: 2898000 -206.611 104.793 32.7373 110.088 170.635 -100.574 -23.7342 -40.3069 7.36339 PRESSAVG: 2898000 -119.656 23.6693 -27.5125 23.6693 -23.8701 -23.3745 -27.5126 -23.3745 94.3432 GPRESSAVG: 2898000 -120.157 21.5075 -28.6074 26.3601 -23.4961 -23.5964 -29.2994 -23.4247 94.5774 TIMING: 2898000 CPU: 8639.5, 0.00297614/step Wall: 8639.5, 0.00297614/step, 1.73774 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2898000 767.9448 2089.8392 1930.4816 114.9811 -205949.7116 17856.1822 0.0000 0.0000 34235.3691 -148954.9137 298.9860 -183190.2828 -148851.7803 300.2647 -39.1682 -9.5375 558005.7217 -16.3943 -16.3586 PRESSURE: 2898200 -57.1095 -43.8659 -203.021 -43.8647 -78.8742 139.276 -203.022 139.277 -27.2873 GPRESSURE: 2898200 -31.6577 -100.964 -274.35 0.308866 -84.6104 86.1287 -52.4449 93.9687 43.2281 PRESSAVG: 2898200 -53.2659 -9.96937 29.8406 -9.9693 45.8264 6.17974 29.8406 6.17977 26.5133 GPRESSAVG: 2898200 -53.7136 -11.9452 30.7477 -10.5537 46.0628 7.02151 30.861 5.07903 26.8483 TIMING: 2898200 CPU: 8640.09, 0.00296959/step Wall: 8640.09, 0.00296959/step, 1.73375 hours remaining, 206.734375 MB of memory in use. ENERGY: 2898200 740.0356 2067.8394 1927.0525 119.5898 -205479.1563 17601.9097 0.0000 0.0000 34180.4358 -148842.2936 298.5062 -183022.7294 -148748.6451 300.1808 -54.4237 -24.3467 558515.8344 6.3579 6.3992 PRESSURE: 2898400 38.9107 20.3571 159.457 20.3558 -52.7981 -79.4605 159.457 -79.46 14.6416 GPRESSURE: 2898400 6.09616 53.3043 121.759 21.9986 9.93365 37.1727 98.5792 -100.706 82.0166 PRESSAVG: 2898400 -51.8388 15.9375 -73.9479 15.9374 79.1275 -10.7352 -73.9479 -10.7351 -49.0742 GPRESSAVG: 2898400 -51.5089 18.4046 -74.063 15.0167 79.0694 -11.0324 -74.0465 -8.8195 -49.4275 TIMING: 2898400 CPU: 8640.69, 0.00297371/step Wall: 8640.69, 0.00297371/step, 1.73599 hours remaining, 206.734375 MB of memory in use. ENERGY: 2898400 734.3228 2208.8789 1920.3632 130.0837 -206079.0320 17849.4278 0.0000 0.0000 34407.6756 -148828.2799 300.4908 -183235.9555 -148733.1160 300.4818 0.2514 32.6821 558813.1602 -7.2618 -7.2890 PRESSURE: 2898600 -137.585 305.146 -42.1023 305.144 -146.665 10.3477 -42.1014 10.3469 -68.4037 GPRESSURE: 2898600 -107.449 406.608 -31.4947 185.107 -97.6529 19.8179 -17.8268 -8.13052 -47.3967 PRESSAVG: 2898600 -85.6066 38.1416 1.84182 38.1416 1.83973 30.6592 1.84174 30.6593 42.6152 GPRESSAVG: 2898600 -85.3955 36.2068 2.65299 37.9451 1.69499 31.644 1.479 28.8321 42.493 TIMING: 2898600 CPU: 8641.28, 0.00295296/step Wall: 8641.28, 0.00295296/step, 1.72371 hours remaining, 206.734375 MB of memory in use. ENERGY: 2898600 757.3760 2200.2973 1951.6474 118.8369 -206172.5819 17740.5919 0.0000 0.0000 34466.6788 -148937.1536 301.0061 -183403.8324 -148847.3733 300.9368 -117.5512 -84.1664 558711.7766 -13.7172 -13.7358 PRESSURE: 2898800 -110.575 118.551 -18.2752 118.551 -250.988 13.511 -18.2766 13.5106 -154.16 GPRESSURE: 2898800 -59.0859 177.478 -47.9656 27.3839 -188.35 18.3361 22.0331 50.7967 -153.947 PRESSAVG: 2898800 3.26616 12.1562 12.4614 12.1561 13.6924 -1.4217 12.4614 -1.42162 -15.1373 GPRESSAVG: 2898800 2.18753 13.2477 13.1673 12.3036 13.3331 -2.90444 10.9718 -0.944697 -13.8142 TIMING: 2898800 CPU: 8641.87, 0.0029459/step Wall: 8641.87, 0.0029459/step, 1.71943 hours remaining, 206.734375 MB of memory in use. ENERGY: 2898800 807.6569 2098.5641 1952.8911 121.7901 -205942.7003 17577.3989 0.0000 0.0000 34268.9018 -149115.4973 299.2788 -183384.3992 -149015.6431 300.2254 -171.9077 -133.7941 558450.6807 0.6071 0.5688 PRESSURE: 2899000 -11.7832 -62.8272 -36.3966 -62.8281 70.2872 130.327 -36.3959 130.326 -142.269 GPRESSURE: 2899000 0.844149 -82.6672 -54.1308 34.2652 114.304 48.6845 -36.4523 146.262 -98.3969 PRESSAVG: 2899000 5.3038 -18.683 5.01206 -18.6831 -51.785 24.9138 5.01207 24.9137 15.8856 GPRESSAVG: 2899000 5.83422 -19.1971 4.45042 -16.4432 -51.0685 23.2832 6.77214 23.958 13.9432 TIMING: 2899000 CPU: 8642.45, 0.00292689/step Wall: 8642.45, 0.00292689/step, 1.70817 hours remaining, 206.734375 MB of memory in use. ENERGY: 2899000 737.2820 2086.8961 1912.8947 121.0057 -206186.1794 17875.3800 0.0000 0.0000 34329.2533 -149123.4675 299.8059 -183452.7209 -149020.1716 300.1075 -27.9218 5.5838 556850.5471 -10.1985 -10.4304 PRESSURE: 2899200 -10.3628 -32.9028 95.6164 -32.9019 -170.774 -109.672 95.6155 -109.673 87.8307 GPRESSURE: 2899200 44.6878 -54.137 97.2168 -50.1248 -136.5 -150.264 89.0156 -88.6139 93.8859 PRESSAVG: 2899200 -11.7429 34.4607 16.506 34.4607 52.4685 -48.3489 16.506 -48.3488 -9.20651 GPRESSAVG: 2899200 -11.9004 34.2413 14.6347 33.4031 51.2883 -47.0056 16.9643 -45.8851 -8.26224 TIMING: 2899200 CPU: 8643.04, 0.00293545/step Wall: 8643.04, 0.00293545/step, 1.713 hours remaining, 206.734375 MB of memory in use. ENERGY: 2899200 788.3858 2128.3442 1957.3057 107.5842 -206213.7864 17774.5547 0.0000 0.0000 34341.1269 -149116.4850 299.9096 -183457.6119 -149011.9110 299.8546 -31.1021 0.6914 557134.6781 10.5064 10.3752 PRESSURE: 2899400 161.333 120.684 -88.6403 120.685 -134.189 75.5753 -88.6407 75.575 -60.7 GPRESSURE: 2899400 172.289 158.447 10.1712 155.557 -105.666 84.2404 -43.4066 118.55 -9.17962 PRESSAVG: 2899400 0.392833 -3.93681 32.3457 -3.93682 72.5902 -49.5765 32.3457 -49.5764 -57.3739 GPRESSAVG: 2899400 0.784733 -3.01709 36.6187 -3.77402 72.9431 -52.1639 31.6093 -49.1365 -57.6969 TIMING: 2899400 CPU: 8643.63, 0.00294962/step Wall: 8643.63, 0.00294962/step, 1.72111 hours remaining, 206.734375 MB of memory in use. ENERGY: 2899400 714.9002 2149.9026 1957.6955 110.0868 -206141.4812 17736.2811 0.0000 0.0000 34486.8434 -148985.7717 301.1822 -183472.6150 -148884.6955 300.1239 -11.1852 19.1479 557905.8211 5.2030 5.3436 PRESSURE: 2899600 325.341 76.0084 -158.093 76.0085 392.934 239.53 -158.094 239.53 159.979 GPRESSURE: 2899600 417.864 14.5505 -237.047 155.523 370.053 290.273 -81.2713 243.547 205.97 PRESSAVG: 2899600 2.93082 -14.5965 -14.9762 -14.5965 23.9971 6.8784 -14.9762 6.87841 -4.03656 GPRESSAVG: 2899600 3.53989 -15.0605 -18.8411 -13.4084 23.3334 10.1932 -15.7491 3.79582 -3.93977 TIMING: 2899600 CPU: 8644.22, 0.00294406/step Wall: 8644.22, 0.00294406/step, 1.7177 hours remaining, 206.734375 MB of memory in use. ENERGY: 2899600 752.4116 2039.8286 1921.5093 104.9977 -206457.8296 18066.9965 0.0000 0.0000 34314.8175 -149257.2684 299.6798 -183572.0859 -149161.6260 299.3789 292.7513 331.2955 556154.8861 7.6305 7.6445 PRESSURE: 2899800 97.3569 -54.4014 204.111 -54.4013 -178.685 167.236 204.113 167.237 -138.491 GPRESSURE: 2899800 84.5752 -24.2086 230.228 -119.289 -118.133 191.46 214.714 108.523 -95.1909 PRESSAVG: 2899800 4.55185 -49.4454 12.1771 -49.4454 48.7831 42.7673 12.1771 42.7674 -57.9876 GPRESSAVG: 2899800 4.94467 -48.9195 13.9888 -51.6536 49.4604 43.2499 13.0536 42.7183 -58.9674 TIMING: 2899800 CPU: 8644.81, 0.00295715/step Wall: 8644.81, 0.00295715/step, 1.72517 hours remaining, 206.734375 MB of memory in use. ENERGY: 2899800 747.2168 2066.4012 1932.4291 106.7045 -206126.0229 17647.9373 0.0000 0.0000 34241.0496 -149384.2844 299.0356 -183625.3340 -149290.6208 298.7866 -73.2731 -42.9163 556861.7758 -1.5509 -1.5208 PRESSURE: 2900000 -162.212 137.595 85.7085 137.596 63.2091 -37.1041 85.7073 -37.1039 -24.7431 GPRESSURE: 2900000 -124.782 186.564 69.3719 133.62 65.7813 -105.704 129.548 36.4699 35.7278 PRESSAVG: 2900000 -12.6073 -14.97 17.1193 -14.97 -10.9333 -8.48145 17.1193 -8.48135 51.6239 GPRESSAVG: 2900000 -13.1796 -16.2252 16.9597 -14.2318 -11.8 -9.25436 17.1181 -6.95532 52.8341 TIMING: 2900000 CPU: 8645.4, 0.00297632/step Wall: 8645.4, 0.00297632/step, 1.73619 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2900000 739.4968 2116.1512 1914.0177 119.0761 -206387.0342 17770.5504 0.0000 0.0000 34474.9328 -149252.8093 301.0782 -183727.7421 -149157.2163 298.8679 -41.2487 -7.7576 556307.1699 9.3611 9.2848 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2900000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 2900000 WRITING COORDINATES TO RESTART FILE AT STEP 2900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2900200 -162.548 -66.5876 -184.102 -66.5886 -50.2516 -27.1258 -184.102 -27.1261 -26.9708 GPRESSURE: 2900200 -93.2888 -55.7375 -112.001 -10.3303 19.6333 -85.9354 -190.99 -34.9491 -73.3185 PRESSAVG: 2900200 -31.7799 26.8403 -33.91 26.8402 15.5729 -69.6477 -33.91 -69.6476 4.87864 GPRESSAVG: 2900200 -32.6834 27.3393 -32.7397 29.3494 16.22 -71.6623 -34.4784 -67.6422 4.72326 TIMING: 2900200 CPU: 8646.02, 0.00307869/step Wall: 8646.02, 0.00307869/step, 1.79573 hours remaining, 206.859375 MB of memory in use. ENERGY: 2900200 764.6990 2124.0864 1892.0448 106.8589 -206419.0198 17865.0796 0.0000 0.0000 34147.9086 -149518.3424 298.2222 -183666.2510 -149421.9543 298.6311 -79.9236 -48.9913 557298.7307 -3.7761 -3.9134 LDB: ============= START OF LOAD BALANCING ============== 8649.56 LDB: ============== END OF LOAD BALANCING =============== 8649.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8649.56 LDB: ============= START OF LOAD BALANCING ============== 8649.86 LDB: Largest compute 4773 load 0.028757 is 24.3% of average load 0.118293 LDB: Average compute 0.001742 is 1.5% of average load 0.118293 LDB: TIME 8649.86 LOAD: AVG 0.118293 MAX 0.20008 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.371 MB LDB: TIME 8649.86 LOAD: AVG 0.118293 MAX 0.20008 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.574 MB LDB: TIME 8649.86 LOAD: AVG 0.118293 MAX 0.20008 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.574 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8649.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8649.87 PRESSURE: 2900400 27.0209 -109.741 -111.603 -109.74 -59.0741 -25.3316 -111.603 -25.3326 43.6254 GPRESSURE: 2900400 29.9864 -128.907 -128.425 -70.6964 -23.1678 -23.0402 -78.0767 24.4118 102.059 PRESSAVG: 2900400 0.764689 -38.1344 -61.3946 -38.1344 28.433 -16.6613 -61.3946 -16.6613 -13.7005 GPRESSAVG: 2900400 1.76963 -38.1426 -62.5025 -39.7836 28.2493 -15.2176 -60.6667 -18.8007 -14.1331 TIMING: 2900400 CPU: 8646.62, 0.00298261/step Wall: 8646.62, 0.00298261/step, 1.73952 hours remaining, 206.023438 MB of memory in use. ENERGY: 2900400 718.5134 2106.2909 1947.3569 111.8693 -206702.4246 17947.6621 0.0000 0.0000 34493.7889 -149376.9430 301.2428 -183870.7320 -149277.6177 299.1073 3.8574 36.2927 557997.1448 5.1658 5.2953 PRESSURE: 2900600 -95.4151 -22.0019 -57.0961 -22.0021 -41.6226 -85.3791 -57.0966 -85.3791 -155.94 GPRESSURE: 2900600 -92.476 11.322 -109.184 24.3474 14.5329 29.2302 -33.102 -103.223 -109.081 PRESSAVG: 2900600 12.9503 -15.6249 7.67798 -15.6249 45.4932 -33.6601 7.67796 -33.6602 -4.6401 GPRESSAVG: 2900600 12.4692 -15.8235 8.85532 -16.303 45.5408 -34.5154 7.81982 -34.3923 -4.43155 TIMING: 2900600 CPU: 8647.2, 0.0029327/step Wall: 8647.2, 0.0029327/step, 1.71025 hours remaining, 206.023438 MB of memory in use. ENERGY: 2900600 779.3232 2078.8097 1938.4471 121.8290 -206283.6593 17845.0483 0.0000 0.0000 34280.7627 -149239.4393 299.3824 -183520.2021 -149138.5373 299.0013 -97.6594 -62.3415 557421.8005 17.9344 17.8595 PRESSURE: 2900800 54.8872 -202.168 -120.554 -202.168 -26.4525 36.1001 -120.554 36.0983 10.009 GPRESSURE: 2900800 20.4255 -199.588 -128.674 -203.009 37.4581 7.50138 -67.7282 34.875 75.4934 PRESSAVG: 2900800 29.8924 -88.6831 39.1 -88.6831 -46.6499 14.5622 39.1 14.5623 91.3231 GPRESSAVG: 2900800 31.0824 -88.8195 40.8415 -88.1543 -47.3985 14.4468 37.5435 17.175 91.0594 TIMING: 2900800 CPU: 8647.79, 0.00293182/step Wall: 8647.79, 0.00293182/step, 1.70958 hours remaining, 206.023438 MB of memory in use. ENERGY: 2900800 753.2707 2048.0129 1926.0293 104.9603 -206517.7614 17969.9559 0.0000 0.0000 34499.3913 -149216.1410 301.2918 -183715.5323 -149117.0807 299.6480 12.8146 44.4590 558487.7488 24.8552 24.9144 PRESSURE: 2901000 120.04 179.401 -172.269 179.4 -229.739 10.2941 -172.269 10.2929 -94.9228 GPRESSURE: 2901000 129.641 183.176 -65.7121 79.2894 -198.258 -11.8998 -111.912 8.85617 -34.9428 PRESSAVG: 2901000 -5.87814 -56.5756 6.97298 -56.5756 -66.6934 7.02769 6.97298 7.02771 27.741 GPRESSAVG: 2901000 -7.69174 -55.6295 7.8018 -57.4764 -66.042 8.86648 6.48865 4.90249 28.3096 TIMING: 2901000 CPU: 8648.37, 0.00292325/step Wall: 8648.37, 0.00292325/step, 1.70442 hours remaining, 206.023438 MB of memory in use. ENERGY: 2901000 727.2170 2045.3519 1934.4130 128.7566 -206205.3769 17811.5206 0.0000 0.0000 34438.9152 -149119.2026 300.7636 -183558.1178 -149022.4420 299.9548 -68.2073 -34.5198 558803.5626 -14.9435 -15.1414 PRESSURE: 2901200 -278.107 -58.1392 96.2936 -58.139 -254.231 41.1056 96.2917 41.1047 24.4891 GPRESSURE: 2901200 -231.539 -141.335 140.114 -71.3485 -213.687 50.0767 129.881 -0.229302 26.6441 PRESSAVG: 2901200 53.1196 -40.2173 21.7291 -40.2174 -56.1677 6.17586 21.729 6.17587 36.4708 GPRESSAVG: 2901200 53.9339 -40.6149 19.2421 -40.2766 -56.2378 4.99275 23.6592 5.95148 35.9631 TIMING: 2901200 CPU: 8648.96, 0.00292909/step Wall: 8648.96, 0.00292909/step, 1.70766 hours remaining, 206.023438 MB of memory in use. ENERGY: 2901200 741.7878 2101.4120 1966.8564 131.9209 -205811.2869 17426.9043 0.0000 0.0000 34286.0196 -149156.3858 299.4283 -183442.4055 -149060.3617 299.8819 -169.2833 -139.5271 558056.5804 11.1409 11.2197 PRESSURE: 2901400 -26.484 -12.2959 105.99 -12.2937 101.796 120.52 105.991 120.52 23.6812 GPRESSURE: 2901400 25.811 -49.904 48.5847 2.7008 153.1 145.8 118.575 105.594 12.6242 PRESSAVG: 2901400 9.55226 -31.6647 6.60966 -31.6647 38.6825 -19.8254 6.60963 -19.8254 -11.847 GPRESSAVG: 2901400 9.21497 -31.6719 5.65421 -30.2551 39.5111 -20.6493 7.23866 -18.1583 -12.8171 TIMING: 2901400 CPU: 8649.55, 0.00294018/step Wall: 8649.55, 0.00294018/step, 1.71396 hours remaining, 206.023438 MB of memory in use. ENERGY: 2901400 763.0283 2128.5622 1960.9947 113.3161 -206569.0326 18123.4312 0.0000 0.0000 34312.3573 -149167.3429 299.6584 -183479.7001 -149067.9065 300.3803 32.9979 63.8452 557482.4891 12.1293 11.9697 PRESSURE: 2901600 295.364 -39.2542 103.228 -39.2541 183.786 -108.177 103.227 -108.179 192.045 GPRESSURE: 2901600 279.144 -102.872 62.3991 -8.54693 235.576 -190.942 96.9484 -105.164 268.114 PRESSAVG: 2901600 44.0674 10.0809 -13.3722 10.0808 14.7161 -24.8744 -13.3722 -24.8744 -23.25 GPRESSAVG: 2901600 44.2077 10.5865 -12.1916 10.3334 13.3837 -25.2107 -14.0577 -26.1411 -22.2972 TIMING: 2901600 CPU: 8650.13, 0.00291378/step Wall: 8650.13, 0.00291378/step, 1.69841 hours remaining, 206.023438 MB of memory in use. ENERGY: 2901600 728.2608 2066.0280 1917.1421 116.1604 -206060.5596 17949.9460 0.0000 0.0000 34281.5109 -149001.5115 299.3890 -183283.0224 -148912.6249 300.1523 223.7316 260.9450 557846.6969 11.8445 11.7647 PRESSURE: 2901800 92.5341 -86.3787 24.798 -86.378 47.6797 -48.9462 24.7979 -48.9467 -103.19 GPRESSURE: 2901800 101.206 -63.1402 39.863 -29.2872 41.4661 7.02908 12.1236 -48.0815 1.2422 PRESSAVG: 2901800 8.62853 -7.50297 14.528 -7.503 -4.89719 21.9861 14.5279 21.9863 10.7657 GPRESSAVG: 2901800 7.7708 -8.74423 14.8868 -8.07747 -3.44819 21.5604 12.6272 22.1373 9.96456 TIMING: 2901800 CPU: 8650.72, 0.00292861/step Wall: 8650.72, 0.00292861/step, 1.70689 hours remaining, 206.023438 MB of memory in use. ENERGY: 2901800 747.1204 2101.0748 1953.6703 111.8576 -206308.2302 17815.6280 0.0000 0.0000 34515.7820 -149063.0970 301.4349 -183578.8790 -148968.4406 299.4708 12.3413 47.9715 557438.3036 4.8323 4.7624 PRESSURE: 2902000 108.83 6.88624 -73.0328 6.88648 257.975 25.3608 -73.0338 25.3608 -61.8869 GPRESSURE: 2902000 122.288 -13.0343 -130.467 48.5695 277.463 -39.0189 22.8634 70.2717 -8.66741 PRESSAVG: 2902000 -11.6179 -3.18143 -1.71337 -3.18144 -2.3779 11.7364 -1.71334 11.7362 23.2208 GPRESSAVG: 2902000 -10.8523 -3.12184 -3.99109 -2.79424 -2.56874 12.5845 -0.0936452 12.4724 22.6944 TIMING: 2902000 CPU: 8651.3, 0.0029464/step Wall: 8651.3, 0.0029464/step, 1.7171 hours remaining, 206.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2902000 731.0908 2063.7988 1938.4765 111.5729 -206228.2561 18018.0583 0.0000 0.0000 34212.4896 -149152.7693 298.7862 -183365.2589 -149056.0970 300.0362 101.6390 130.3612 556412.9211 3.0750 3.0911 PRESSURE: 2902200 -104.844 230.444 -175.838 230.445 36.9778 -44.6781 -175.839 -44.6773 -13.1868 GPRESSURE: 2902200 -103.701 112.369 -229.869 285.905 81.7505 -113.406 -129.083 66.8041 41.4712 PRESSAVG: 2902200 -20.168 -19.634 19.0599 -19.634 -21.7241 -11.1011 19.0598 -11.1011 6.54389 GPRESSAVG: 2902200 -20.1717 -18.3834 19.6129 -20.0798 -23.0455 -11.2677 19.0723 -11.1921 7.94724 TIMING: 2902200 CPU: 8651.89, 0.00293117/step Wall: 8651.89, 0.00293117/step, 1.70806 hours remaining, 206.023438 MB of memory in use. ENERGY: 2902200 773.6083 2024.8310 1940.8303 122.4680 -206200.0766 17968.4643 0.0000 0.0000 34075.9438 -149293.9308 297.5937 -183369.8746 -149198.5320 298.5795 -27.0177 6.5069 557589.5448 -11.7827 -11.7567 PRESSURE: 2902400 219.369 -205.403 41.1018 -205.403 -91.9778 -185.86 41.1022 -185.86 -36.1122 GPRESSURE: 2902400 270.533 -154.787 88.3856 -164.064 -131.941 -184.687 47.2532 -124.222 49.8052 PRESSAVG: 2902400 62.995 24.3183 -6.50137 24.3183 -52.0368 -26.4934 -6.50145 -26.4934 -9.01936 GPRESSAVG: 2902400 64.2871 25.8696 -6.26539 24.614 -51.8837 -27.0355 -7.22845 -26.6524 -11.0139 TIMING: 2902400 CPU: 8652.48, 0.00293872/step Wall: 8652.48, 0.00293872/step, 1.7123 hours remaining, 206.023438 MB of memory in use. ENERGY: 2902400 700.5156 2064.3418 1970.2672 117.6269 -206111.2165 17929.3659 0.0000 0.0000 34233.7660 -149095.3332 298.9720 -183329.0992 -149006.8718 299.2983 30.4264 62.7988 558597.1723 0.6463 0.4632 PRESSURE: 2902600 148.079 42.2843 -145.676 42.2845 -224.353 4.32873 -145.677 4.32844 -389.786 GPRESSURE: 2902600 138.015 10.5095 -153.838 19.8454 -175.99 52.1645 -46.9233 55.3493 -325.297 PRESSAVG: 2902600 13.4911 37.8048 12.6447 37.8047 -43.6212 14.2415 12.6447 14.2415 62.995 GPRESSAVG: 2902600 10.8386 35.4706 13.6426 36.4636 -41.7408 15.139 11.2822 12.808 63.7286 TIMING: 2902600 CPU: 8653.07, 0.0029579/step Wall: 8653.07, 0.0029579/step, 1.72331 hours remaining, 206.023438 MB of memory in use. ENERGY: 2902600 754.0379 2074.9262 1937.8058 121.6100 -206118.8844 17734.1452 0.0000 0.0000 34288.7405 -149207.6188 299.4521 -183496.3593 -149101.2670 299.7535 -155.3534 -121.0908 557495.8254 10.9550 10.9421 PRESSURE: 2902800 -18.9592 10.3497 54.2438 10.3508 -125.496 39.379 54.2438 39.3761 175.555 GPRESSURE: 2902800 11.5785 40.5835 20.0956 68.6102 -116.594 -27.8241 -27.4304 35.9964 226.992 PRESSAVG: 2902800 -22.6482 18.3126 51.1749 18.3126 -5.24932 27.7298 51.1749 27.7298 43.1775 GPRESSAVG: 2902800 -21.115 17.8317 50.4207 20.0698 -6.38212 27.0475 51.2404 28.9424 42.5629 TIMING: 2902800 CPU: 8653.66, 0.00296463/step Wall: 8653.66, 0.00296463/step, 1.72706 hours remaining, 206.023438 MB of memory in use. ENERGY: 2902800 765.7673 2064.6514 1940.6120 108.4320 -206418.2310 17879.2366 0.0000 0.0000 34436.9356 -149222.5962 300.7463 -183659.5318 -149125.1607 299.4320 10.3664 40.6589 558624.0999 5.0933 5.0219 PRESSURE: 2903000 266.297 103.751 102.052 103.751 114.653 53.3446 102.052 53.344 43.8135 GPRESSURE: 2903000 256.266 151.325 129.757 159.918 146.602 58.4301 155.826 16.6027 114.694 PRESSAVG: 2903000 66.2113 34.1708 29.2136 34.1708 -90.2427 10.7302 29.2136 10.7303 -5.34893 GPRESSAVG: 2903000 65.607 33.262 30.4994 33.0196 -91.8277 12.1574 29.8192 9.41293 -3.27337 TIMING: 2903000 CPU: 8654.25, 0.00293938/step Wall: 8654.25, 0.00293938/step, 1.71219 hours remaining, 206.023438 MB of memory in use. ENERGY: 2903000 760.6273 2089.2870 1967.8060 112.1531 -206038.7698 17918.4046 0.0000 0.0000 34209.8889 -148980.6029 298.7635 -183190.4918 -148884.8787 300.3483 141.5880 172.5208 556522.0198 -9.7934 -9.8313 PRESSURE: 2903200 -9.03884 126.026 -78.4091 126.025 53.774 -1.00204 -78.4087 -1.00276 -113.715 GPRESSURE: 2903200 6.14798 41.5795 -6.03527 156.592 74.392 -11.0065 -106.571 14.9773 -48.6776 PRESSAVG: 2903200 -9.15838 -20.1779 4.00657 -20.178 -41.4075 -2.48285 4.00664 -2.48287 -0.320456 GPRESSAVG: 2903200 -8.88201 -16.9694 4.64346 -21.7254 -40.4661 -1.66615 2.57041 -2.21481 -1.18021 TIMING: 2903200 CPU: 8654.84, 0.00293644/step Wall: 8654.84, 0.00293644/step, 1.71032 hours remaining, 206.023438 MB of memory in use. ENERGY: 2903200 743.2343 2133.0837 1959.9230 120.6054 -205950.3015 17768.6526 0.0000 0.0000 34242.6020 -148982.2006 299.0492 -183224.8026 -148884.9290 300.6190 -22.9932 10.6208 557047.4932 -16.9621 -16.8428 PRESSURE: 2903400 -20.3486 122.517 -72.8916 122.519 24.5344 96.2212 -72.8921 96.221 -3.64551 GPRESSURE: 2903400 79.5337 101.474 -52.1798 136.757 39.919 13.6778 -82.6412 126.463 -22.2504 PRESSAVG: 2903400 36.0639 2.21904 14.1952 2.21921 12.4694 -15.4282 14.1952 -15.4283 -15.7425 GPRESSAVG: 2903400 36.2629 -0.521269 14.5955 3.31983 11.9938 -18.3912 16.0229 -14.3821 -15.4223 TIMING: 2903400 CPU: 8655.43, 0.00294368/step Wall: 8655.43, 0.00294368/step, 1.71437 hours remaining, 206.023438 MB of memory in use. ENERGY: 2903400 737.4511 2078.3330 1951.3512 101.3589 -205810.1996 17690.7013 0.0000 0.0000 34162.5878 -149088.4163 298.3504 -183251.0040 -148993.1041 299.5565 0.1801 32.4008 556757.4618 10.9303 10.9448 PRESSURE: 2903600 -80.9916 -53.9443 -8.3608 -53.944 -298.769 -278.116 -8.3596 -278.115 -59.2391 GPRESSURE: 2903600 -69.8586 0.847568 23.3859 -18.2386 -193.92 -275.429 11.4971 -299.191 -56.986 PRESSAVG: 2903600 -32.1363 8.63663 14.0934 8.63658 -29.4429 -29.7306 14.0933 -29.7307 89.4246 GPRESSAVG: 2903600 -31.7671 11.5768 10.8691 6.98775 -30.0678 -27.7847 13.5794 -29.2745 89.0831 TIMING: 2903600 CPU: 8656.02, 0.00297506/step Wall: 8656.02, 0.00297506/step, 1.73247 hours remaining, 206.023438 MB of memory in use. ENERGY: 2903600 754.1145 2083.8959 1944.0426 107.9436 -205759.0523 17492.6932 0.0000 0.0000 34393.7502 -148982.6122 300.3692 -183376.3624 -148884.0341 299.9667 -146.3333 -106.9216 555920.0763 9.2818 9.0827 PRESSURE: 2903800 -56.2423 84.7806 -83.2508 84.7817 32.714 23.2982 -83.2489 23.2993 -62.307 GPRESSURE: 2903800 -44.6957 118.029 -4.04542 -102.618 78.0028 6.60199 -10.56 -24.3369 -12.1619 PRESSAVG: 2903800 56.066 23.8231 -3.91377 23.8232 36.8181 19.3539 -3.91368 19.3538 -47.8865 GPRESSAVG: 2903800 55.1901 20.947 -0.712988 24.4209 37.9425 18.7249 -3.1738 18.683 -48.5964 TIMING: 2903800 CPU: 8656.61, 0.00295855/step Wall: 8656.61, 0.00295855/step, 1.7227 hours remaining, 206.023438 MB of memory in use. ENERGY: 2903800 742.1032 2103.5195 1947.1840 114.4203 -205881.4935 17551.4986 0.0000 0.0000 34484.6392 -148938.1286 301.1629 -183422.7679 -148836.2222 300.9642 -28.6117 7.0484 555774.7138 14.9992 14.8454 PRESSURE: 2904000 -122.424 88.5383 172.187 88.537 -153.442 -38.6057 172.187 -38.6063 -143.489 GPRESSURE: 2904000 -109.331 81.3251 128.969 52.428 -72.1983 -37.1283 275.206 -42.073 -134.518 PRESSAVG: 2904000 -9.26877 13.1327 -45.1466 13.1327 50.3921 -36.809 -45.1465 -36.809 10.8989 GPRESSAVG: 2904000 -9.01566 14.4393 -46.5691 13.0203 50.2402 -36.5044 -47.3376 -34.7616 10.7738 TIMING: 2904000 CPU: 8657.2, 0.00295187/step Wall: 8657.2, 0.00295187/step, 1.71864 hours remaining, 206.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2904000 726.4082 2110.7053 1955.4346 122.6813 -205981.2455 17541.1840 0.0000 0.0000 34579.3893 -148945.4427 301.9904 -183524.8320 -148838.9986 300.9059 -139.7850 -105.3490 557134.4237 17.3407 17.3328 PRESSURE: 2904200 41.9998 -85.7707 225.221 -85.7698 -331.129 -48.4459 225.22 -48.4469 -232.728 GPRESSURE: 2904200 56.7852 -101.45 174.563 -69.3247 -324.745 13.8221 312.126 -65.4844 -160.493 PRESSAVG: 2904200 8.06232 34.5909 43.3638 34.5908 31.7702 42.3232 43.3638 42.3232 4.68378 GPRESSAVG: 2904200 7.9748 34.441 43.3204 35.6077 31.2722 40.3227 44.1524 43.3035 4.85469 TIMING: 2904200 CPU: 8657.8, 0.00295923/step Wall: 8657.8, 0.00295923/step, 1.72276 hours remaining, 206.023438 MB of memory in use. ENERGY: 2904200 738.6935 2075.2892 1959.1921 114.5957 -205977.3589 17483.9817 0.0000 0.0000 34572.5496 -149033.0571 301.9307 -183605.6067 -148929.0807 300.6706 -173.9525 -142.8176 557215.6256 14.8388 14.7006 LDB: ============= START OF LOAD BALANCING ============== 8661.34 LDB: ============== END OF LOAD BALANCING =============== 8661.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8661.34 LDB: ============= START OF LOAD BALANCING ============== 8661.64 LDB: Largest compute 4773 load 0.027400 is 23.2% of average load 0.118184 LDB: Average compute 0.001743 is 1.5% of average load 0.118184 LDB: TIME 8661.64 LOAD: AVG 0.118184 MAX 0.201483 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.797 MB LDB: TIME 8661.64 LOAD: AVG 0.118184 MAX 0.201483 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.801 MB LDB: TIME 8661.64 LOAD: AVG 0.118184 MAX 0.201483 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.801 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8661.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8661.65 PRESSURE: 2904400 151.524 -177.154 -56.1089 -177.153 129.22 -75.6663 -56.1082 -75.6676 -225.405 GPRESSURE: 2904400 182.707 -177.416 -48.7845 -123.324 148.085 90.7161 37.4527 -140.11 -163.134 PRESSAVG: 2904400 48.8569 -19.8447 44.2972 -19.8446 -73.3045 -8.6774 44.2972 -8.67755 -11.8825 GPRESSAVG: 2904400 48.8329 -20.5047 43.965 -18.2756 -73.0568 -4.81669 42.8677 -12.627 -12.3752 TIMING: 2904400 CPU: 8658.4, 0.0030197/step Wall: 8658.4, 0.0030197/step, 1.7578 hours remaining, 207.503906 MB of memory in use. ENERGY: 2904400 680.6031 2078.6174 1940.2938 115.5387 -205729.7010 17540.7679 0.0000 0.0000 34320.3682 -149053.5119 299.7283 -183373.8801 -148957.2455 299.9528 18.4462 55.8857 558044.2310 -12.1100 -12.1997 PRESSURE: 2904600 -138.504 77.0884 31.0001 77.0875 26.6909 1.67808 31 1.67778 -230.577 GPRESSURE: 2904600 -152.491 141.461 -80.3459 65.6993 105.781 -60.9648 21.7389 -23.4534 -197.405 PRESSAVG: 2904600 60.1238 13.9579 1.30531 13.958 -13.3135 -73.6991 1.30531 -73.699 -30.7635 GPRESSAVG: 2904600 60.9417 14.6057 1.32249 13.7448 -14.2455 -76.1619 -0.892652 -73.5759 -30.57 TIMING: 2904600 CPU: 8658.99, 0.0029591/step Wall: 8658.99, 0.0029591/step, 1.72236 hours remaining, 207.503906 MB of memory in use. ENERGY: 2904600 745.1902 1992.0763 1952.8529 107.5763 -205610.5156 17567.8636 0.0000 0.0000 34203.7524 -149041.2039 298.7099 -183244.9563 -148946.9355 299.7075 -114.1301 -81.3713 558908.1613 5.3489 5.3754 PRESSURE: 2904800 86.882 -26.9688 105.358 -26.9691 -208.887 51.1149 105.359 51.1154 -119.543 GPRESSURE: 2904800 112.719 -85.8428 186.735 63.7332 -195.267 13.6105 64.9223 73.5681 -65.7188 PRESSAVG: 2904800 -63.1816 21.5025 -36.8581 21.5025 26.6967 -23.9215 -36.8581 -23.9214 34.1143 GPRESSAVG: 2904800 -64.1959 22.6804 -34.8901 19.5822 27.3744 -22.89 -34.4552 -24.4862 34.1663 TIMING: 2904800 CPU: 8659.58, 0.00296404/step Wall: 8659.58, 0.00296404/step, 1.72507 hours remaining, 207.503906 MB of memory in use. ENERGY: 2904800 786.6224 2103.6496 1921.4117 105.1856 -206020.2989 17774.5002 0.0000 0.0000 34373.3860 -148955.5434 300.1913 -183328.9294 -148864.2048 299.2457 -80.5160 -49.4224 558047.5525 -0.7902 -0.8851 PRESSURE: 2905000 16.5912 -54.0818 18.823 -54.0837 92.9762 99.0439 18.824 99.0431 20.8719 GPRESSURE: 2905000 51.454 -24.712 -19.6002 29.1329 116.489 82.7488 111.971 41.3156 69.3318 PRESSAVG: 2905000 1.93254 -13.2109 -9.74598 -13.2109 22.162 -39.0253 -9.74605 -39.0254 -42.292 GPRESSAVG: 2905000 2.86866 -13.049 -8.65923 -12.8977 21.0098 -38.2901 -10.6193 -38.2623 -42.1459 TIMING: 2905000 CPU: 8660.17, 0.0029373/step Wall: 8660.17, 0.0029373/step, 1.70934 hours remaining, 207.503906 MB of memory in use. ENERGY: 2905000 756.0425 2150.3482 1943.1971 117.9407 -206273.5935 18100.5252 0.0000 0.0000 34399.4325 -148806.1074 300.4188 -183205.5399 -148711.3863 299.8345 43.4798 79.0916 559295.7110 -6.0658 -6.0891 PRESSURE: 2905200 103.754 -34.9804 230.756 -34.9797 158.129 -57.5278 230.756 -57.527 -248.876 GPRESSURE: 2905200 136.809 -77.8912 207.312 -75.3821 205.721 -8.34058 234.632 -88.6587 -231.296 PRESSAVG: 2905200 -6.443 6.62115 17.3301 6.62111 -44.0021 -3.26738 17.3302 -3.26731 2.64573 GPRESSAVG: 2905200 -8.28769 4.72504 16.335 6.60161 -42.2539 -1.89917 16.1545 -3.89407 2.79007 TIMING: 2905200 CPU: 8660.76, 0.00294791/step Wall: 8660.76, 0.00294791/step, 1.71535 hours remaining, 207.503906 MB of memory in use. ENERGY: 2905200 745.8425 2099.2178 1957.7356 115.9181 -205718.3541 17768.6720 0.0000 0.0000 34110.5864 -148920.3817 297.8962 -183030.9681 -148825.3796 300.4037 4.3356 37.0779 558172.9081 -15.9331 -15.9172 PRESSURE: 2905400 -117.042 210.072 -56.2731 210.073 -241.552 231.195 -56.2738 231.195 176.943 GPRESSURE: 2905400 -108.953 244.919 -6.75273 104.203 -159.804 197.489 -185.135 265.745 170.736 PRESSAVG: 2905400 73.8297 -2.51574 -35.4166 -2.51561 4.40765 0.541371 -35.4166 0.541323 -57.3459 GPRESSAVG: 2905400 75.1864 -2.36178 -36.8331 -1.92494 3.06541 -4.09211 -34.8644 3.79789 -57.5458 TIMING: 2905400 CPU: 8661.36, 0.00297587/step Wall: 8661.36, 0.00297587/step, 1.73146 hours remaining, 207.503906 MB of memory in use. ENERGY: 2905400 749.3251 2073.1599 1946.5531 110.7916 -205956.5954 17744.3093 0.0000 0.0000 34477.4985 -148854.9579 301.1006 -183332.4564 -148754.4365 299.9866 -60.5504 -32.6736 557703.7881 6.9638 6.9020 PRESSURE: 2905600 -197.285 2.71395 61.7407 2.71377 -17.4023 -105.647 61.7394 -105.646 78.9172 GPRESSURE: 2905600 -208.15 -20.2602 115.316 13.5803 4.47789 -59.7158 97.0826 -71.3735 166.998 PRESSAVG: 2905600 -16.1163 -17.9391 21.6726 -17.9392 -5.59738 -9.18493 21.6726 -9.18489 1.59215 GPRESSAVG: 2905600 -16.1037 -16.7818 21.2941 -19.1178 -5.05644 -6.28891 22.7798 -12.7889 0.723694 TIMING: 2905600 CPU: 8661.95, 0.00297223/step Wall: 8661.95, 0.00297223/step, 1.72918 hours remaining, 207.503906 MB of memory in use. ENERGY: 2905600 745.7272 2064.7524 1965.5627 107.8826 -205886.0455 17790.0802 0.0000 0.0000 34332.5183 -148879.5222 299.8344 -183212.0404 -148781.4457 299.9995 -45.2566 -12.2246 558777.3115 -6.7072 -6.8121 PRESSURE: 2905800 145.51 -8.86631 -18.7408 -8.86521 159.489 5.35035 -18.7403 5.34863 46.4081 GPRESSURE: 2905800 150.596 -39.7205 20.3255 -33.4179 182.445 -44.9043 88.3196 84.1528 102.356 PRESSAVG: 2905800 -33.86 -45.1798 -25.3046 -45.1798 26.7939 41.3708 -25.3046 41.3707 2.80327 GPRESSAVG: 2905800 -33.7535 -45.3028 -24.1488 -44.365 27.0127 40.3384 -25.8396 42.7106 2.42417 TIMING: 2905800 CPU: 8662.55, 0.00297984/step Wall: 8662.55, 0.00297984/step, 1.73344 hours remaining, 207.503906 MB of memory in use. ENERGY: 2905800 730.5999 2130.6518 1949.4688 113.6300 -206306.4770 17944.1430 0.0000 0.0000 34629.5674 -148808.4161 302.4286 -183437.9835 -148709.6227 300.4815 117.1357 145.1323 559670.8131 -1.4209 -1.4389 PRESSURE: 2906000 79.4443 -37.6456 165.029 -37.6454 -110.389 -104.161 165.029 -104.159 -206.085 GPRESSURE: 2906000 86.721 25.3226 203.932 -57.0948 -91.2838 -14.8627 81.0068 -85.9927 -137.817 PRESSAVG: 2906000 27.5582 -18.1326 23.164 -18.1327 42.0876 -23.188 23.164 -23.1879 -10.1243 GPRESSAVG: 2906000 27.1 -18.038 21.0496 -18.4531 42.5782 -21.4649 22.8948 -23.8879 -9.72429 TIMING: 2906000 CPU: 8663.13, 0.00293622/step Wall: 8663.13, 0.00293622/step, 1.7079 hours remaining, 207.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2906000 745.0486 2108.0919 1899.4599 114.3171 -206038.9001 17926.1179 0.0000 0.0000 34586.3313 -148659.5334 302.0510 -183245.8647 -148564.3941 300.9672 -79.0098 -47.4600 560160.0606 19.8405 19.9846 PRESSURE: 2906200 -141.578 -50.6551 -74.2537 -50.6545 54.2084 34.0698 -74.2549 34.0698 -157.51 GPRESSURE: 2906200 -79.5449 -41.9445 -114.79 -35.2199 101.727 75.0817 -151.444 14.0815 -169.344 PRESSAVG: 2906200 -7.99996 -19.4308 41.0774 -19.4308 45.6504 -29.12 41.0774 -29.12 -60.1234 GPRESSAVG: 2906200 -7.96339 -18.8648 40.4146 -19.8263 46.0438 -30.4358 43.8824 -26.1142 -60.4408 TIMING: 2906200 CPU: 8663.72, 0.00293771/step Wall: 8663.72, 0.00293771/step, 1.70861 hours remaining, 207.503906 MB of memory in use. ENERGY: 2906200 759.4946 2079.0173 1914.2791 117.9842 -205753.7737 17740.7654 0.0000 0.0000 34320.7850 -148821.4480 299.7320 -183142.2330 -148732.9126 300.3451 -81.6266 -49.0537 559611.9593 -7.4910 -7.4534 PRESSURE: 2906400 -238.222 -71.6124 -154.194 -71.6138 91.9983 -21.7062 -154.193 -21.7074 -61.3002 GPRESSURE: 2906400 -196.124 -84.4285 -140.495 -85.6431 91.9232 -73.8257 -112.721 21.1481 -15.506 PRESSAVG: 2906400 25.3919 -20.3811 -11.4144 -20.3811 61.7665 -8.01014 -11.4144 -8.0102 -120.832 GPRESSAVG: 2906400 25.8179 -21.3478 -11.2623 -19.7217 60.7723 -10.1193 -11.1012 -10.1498 -120.401 TIMING: 2906400 CPU: 8664.3, 0.00291554/step Wall: 8664.3, 0.00291554/step, 1.69555 hours remaining, 207.503906 MB of memory in use. ENERGY: 2906400 733.6816 2109.1994 1949.3450 105.2424 -206040.4115 17810.3552 0.0000 0.0000 34426.0101 -148906.5778 300.6509 -183332.5879 -148809.6806 299.9998 -69.1746 -39.9021 558789.1301 -11.2246 -11.2703 PRESSURE: 2906600 57.0071 -23.9947 125.647 -23.9932 -126.737 37.9777 125.647 37.9793 -3.69283 GPRESSURE: 2906600 68.4356 -140.284 184.511 41.6743 -76.1449 -48.5326 46.6378 57.4757 5.76146 PRESSAVG: 2906600 34.4146 -8.09895 -18.3355 -8.09904 31.3257 -13.5209 -18.3355 -13.521 -103.086 GPRESSAVG: 2906600 34.4346 -7.71496 -17.6907 -7.35418 31.4149 -11.6501 -21.5516 -13.4946 -102.892 TIMING: 2906600 CPU: 8664.89, 0.00293632/step Wall: 8664.89, 0.00293632/step, 1.70747 hours remaining, 207.503906 MB of memory in use. ENERGY: 2906600 767.4358 2094.7600 1931.5842 103.5818 -206349.4392 17905.0593 0.0000 0.0000 34520.2829 -149026.7354 301.4742 -183547.0182 -148927.5593 299.9916 -24.4744 -0.6493 558179.4150 -12.4485 -12.3476 PRESSURE: 2906800 -126.243 75.343 -78.0163 75.3444 -245.594 9.50641 -78.0161 9.50517 -357.244 GPRESSURE: 2906800 -66.4827 48.7769 -79.2018 59.0599 -260.922 42.6999 -48.0172 24.5748 -306.657 PRESSAVG: 2906800 -27.2309 -17.168 -1.71662 -17.168 5.78963 -15.1418 -1.71653 -15.1417 -12.4862 GPRESSAVG: 2906800 -26.1224 -18.2021 0.284963 -18.5348 5.6832 -13.8888 -3.14566 -15.5943 -12.8655 TIMING: 2906800 CPU: 8665.48, 0.00294064/step Wall: 8665.48, 0.00294064/step, 1.70982 hours remaining, 207.503906 MB of memory in use. ENERGY: 2906800 736.9439 2062.3681 1916.6485 116.8054 -205728.7122 17467.3384 0.0000 0.0000 34245.7369 -149182.8710 299.0765 -183428.6079 -149083.8133 299.7459 -243.0270 -211.3540 559313.5132 -11.3092 -11.1016 PRESSURE: 2907000 41.4173 -136.498 -8.71851 -136.497 -5.21573 74.8897 -8.71873 74.8911 131.029 GPRESSURE: 2907000 72.6703 -96.5073 85.0482 -167.39 36.2509 39.9124 -52.7051 101.686 154.779 PRESSAVG: 2907000 17.011 -5.20987 52.8447 -5.20981 -49.9462 11.4051 52.8447 11.4052 7.78663 GPRESSAVG: 2907000 16.1106 -3.43723 52.0398 -5.06894 -49.8005 10.1533 52.8036 13.7198 8.38535 TIMING: 2907000 CPU: 8666.08, 0.00298605/step Wall: 8666.08, 0.00298605/step, 1.73606 hours remaining, 207.503906 MB of memory in use. ENERGY: 2907000 693.4951 2116.3313 1932.5425 114.3794 -206530.4214 18049.6126 0.0000 0.0000 34467.7167 -149156.3438 301.0151 -183624.0606 -149059.2464 300.1711 55.7436 87.9000 559562.7882 -8.3829 -8.4348 PRESSURE: 2907200 -379.126 31.1452 -64.0072 31.1444 -230.377 -59.1167 -64.0075 -59.1164 21.9965 GPRESSURE: 2907200 -326.258 54.8792 -33.8338 27.7397 -189.908 -88.9159 -4.76179 -11.6784 15.1322 PRESSAVG: 2907200 23.2882 -56.6803 16.1028 -56.6804 1.49195 -42.9334 16.1029 -42.9335 -7.96346 GPRESSAVG: 2907200 23.9726 -57.2985 15.5547 -54.9625 1.48272 -42.7275 17.9447 -44.5082 -8.63757 TIMING: 2907200 CPU: 8666.67, 0.00294478/step Wall: 8666.67, 0.00294478/step, 1.7119 hours remaining, 207.503906 MB of memory in use. ENERGY: 2907200 757.1038 2105.0054 1918.5547 121.5047 -205875.7520 17519.9055 0.0000 0.0000 34409.7028 -149043.9751 300.5085 -183453.6779 -148945.6893 299.9504 -195.8353 -167.0110 558411.4141 5.6055 5.6059 PRESSURE: 2907400 49.7481 134.792 -212.206 134.793 68.8158 21.4439 -212.205 21.4455 -39.7163 GPRESSURE: 2907400 99.6897 108.927 -263.383 124.92 105.379 26.4357 -97.6766 -41.2722 -33.1026 PRESSAVG: 2907400 -25.1327 5.05523 0.632903 5.05513 31.8822 -46.7696 0.632912 -46.7695 -9.02875 GPRESSAVG: 2907400 -25.0984 4.88587 -0.513323 2.22432 31.8778 -46.9215 1.2685 -46.492 -8.70481 TIMING: 2907400 CPU: 8667.25, 0.00293915/step Wall: 8667.25, 0.00293915/step, 1.70846 hours remaining, 207.503906 MB of memory in use. ENERGY: 2907400 759.6218 2115.6667 1963.6256 120.0329 -206404.6585 18081.8006 0.0000 0.0000 34322.6895 -149041.2215 299.7486 -183363.9110 -148946.6771 299.8578 26.2825 57.3220 559108.3071 -0.7598 -0.6418 PRESSURE: 2907600 -22.1583 -54.7296 -1.46188 -54.7313 69.5002 149.009 -1.46059 149.009 -108.094 GPRESSURE: 2907600 12.8474 -12.9603 51.3614 -79.3963 78.9312 118.688 11.9172 112.335 -42.938 PRESSAVG: 2907600 8.7556 21.7718 7.31455 21.7718 7.93386 18.1277 7.31459 18.1277 26.6489 GPRESSAVG: 2907600 7.83127 20.7264 7.31387 23.9819 7.89175 18.1494 8.82001 19.2414 27.9547 TIMING: 2907600 CPU: 8667.84, 0.00293763/step Wall: 8667.84, 0.00293763/step, 1.70742 hours remaining, 207.503906 MB of memory in use. ENERGY: 2907600 755.6713 2146.8578 1952.7090 114.2662 -206252.5417 17815.2377 0.0000 0.0000 34203.5369 -149264.2629 298.7080 -183467.7998 -149167.7362 299.4625 -20.2507 16.2802 558504.7999 14.4461 14.5592 PRESSURE: 2907800 -47.0223 -12.777 41.2403 -12.7757 -250.779 -86.7106 41.2405 -86.71 10.1142 GPRESSURE: 2907800 -9.85045 10.1789 121.609 -22.1338 -166.611 -83.0884 39.4769 -17.7949 -5.58283 PRESSAVG: 2907800 15.156 -22.6641 27.4922 -22.6641 -123.728 -27.0051 27.4921 -27.005 12.7133 GPRESSAVG: 2907800 14.6799 -23.5595 28.54 -21.2137 -121.797 -27.4681 23.9182 -28.6638 11.3252 TIMING: 2907800 CPU: 8668.43, 0.00294393/step Wall: 8668.43, 0.00294393/step, 1.71092 hours remaining, 207.503906 MB of memory in use. ENERGY: 2907800 775.8624 2122.7130 1925.9907 107.7997 -205967.4882 17550.9802 0.0000 0.0000 34270.1757 -149213.9665 299.2900 -183484.1422 -149120.8285 299.0147 -95.8956 -60.6813 556687.1674 -31.9530 -31.9307 PRESSURE: 2908000 30.7511 -176.599 35.1805 -176.599 -125.365 13.9924 35.1809 13.9936 -53.7059 GPRESSURE: 2908000 101.381 -185.182 -27.4954 -130.921 -62.4893 6.87227 14.661 36.5126 -104.853 PRESSAVG: 2908000 70.863 -26.8887 34.136 -26.8888 -81.2473 2.95674 34.136 2.95666 -25.0619 GPRESSAVG: 2908000 71.503 -26.2833 34.1755 -27.7222 -81.8958 4.41071 35.8663 2.89256 -24.713 TIMING: 2908000 CPU: 8669.02, 0.00295622/step Wall: 8669.02, 0.00295622/step, 1.71789 hours remaining, 207.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2908000 742.1380 2128.8024 1947.1940 125.8781 -206200.9325 17760.4850 0.0000 0.0000 34246.5324 -149249.9025 299.0835 -183496.4349 -149155.8841 299.7897 -49.4400 -21.9871 556840.5187 -11.8154 -11.7019 PRESSURE: 2908200 36.0162 111.924 -175.652 111.924 -73.9513 235.161 -175.653 235.161 45.2595 GPRESSURE: 2908200 46.2367 141.147 -153.116 217.816 -20.0156 169.425 -139.945 224.215 53.6322 PRESSAVG: 2908200 67.5493 12.2586 15.3064 12.2586 -42.8778 34.8695 15.3064 34.8696 18.7559 GPRESSAVG: 2908200 67.4812 15.5963 17.4685 9.2156 -43.1318 32.012 12.7341 36.8452 18.903 TIMING: 2908200 CPU: 8669.61, 0.00292682/step Wall: 8669.61, 0.00292682/step, 1.70065 hours remaining, 207.503906 MB of memory in use. ENERGY: 2908200 730.0611 2140.4069 1949.1539 110.3239 -206746.9628 18143.8676 0.0000 0.0000 34483.1417 -149190.0076 301.1499 -183673.1493 -149092.5264 300.0589 2.4415 26.6178 556781.9764 14.4758 14.4175 LDB: ============= START OF LOAD BALANCING ============== 8673.15 LDB: ============== END OF LOAD BALANCING =============== 8673.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8673.15 LDB: ============= START OF LOAD BALANCING ============== 8673.45 LDB: Largest compute 4773 load 0.026640 is 22.5% of average load 0.118292 LDB: Average compute 0.001744 is 1.5% of average load 0.118292 LDB: TIME 8673.45 LOAD: AVG 0.118292 MAX 0.198431 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.531 MB LDB: TIME 8673.45 LOAD: AVG 0.118292 MAX 0.198431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.57 MB LDB: TIME 8673.45 LOAD: AVG 0.118292 MAX 0.198431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.57 MB LDB: ============== END OF LOAD BALANCING =============== 8673.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8673.46 PRESSURE: 2908400 61.9521 6.53079 145.288 6.53007 -268.469 110.641 145.288 110.643 6.34923 GPRESSURE: 2908400 98.98 14.5058 91.2942 -14.2505 -255.264 69.1812 142.103 106.985 57.2196 PRESSAVG: 2908400 68.265 -4.68906 21.7863 -4.68908 -20.6843 22.9707 21.7862 22.9705 -31.2573 GPRESSAVG: 2908400 68.3024 -6.51814 19.8555 -4.21184 -21.1793 25.6526 24.9626 21.9113 -31.086 TIMING: 2908400 CPU: 8670.21, 0.00299267/step Wall: 8670.21, 0.00299267/step, 1.73874 hours remaining, 207.234375 MB of memory in use. ENERGY: 2908400 750.2793 2070.1560 1941.2259 104.4090 -206141.1648 17491.1931 0.0000 0.0000 34414.8460 -149369.0556 300.5534 -183783.9016 -149270.8167 299.0941 -66.7226 -33.0215 556672.1584 5.4411 5.3457 PRESSURE: 2908600 75.0483 -104.143 86.9113 -104.142 174.898 150.256 86.9112 150.255 -115.623 GPRESSURE: 2908600 88.5993 -95.4056 44.8863 -114.764 195.333 181.233 108.424 114.786 -46.6384 PRESSAVG: 2908600 20.4939 -25.2608 79.6457 -25.2608 49.3266 7.36763 79.6456 7.3677 -41.3675 GPRESSAVG: 2908600 20.2057 -24.7025 77.0969 -24.4178 50.0369 6.85822 79.5186 8.74048 -41.0137 TIMING: 2908600 CPU: 8670.79, 0.00293574/step Wall: 8670.79, 0.00293574/step, 1.7055 hours remaining, 207.437500 MB of memory in use. ENERGY: 2908600 725.6129 2090.0390 1933.5793 111.7758 -206258.7691 17741.6727 0.0000 0.0000 34242.2608 -149413.8286 299.0462 -183656.0894 -149324.5391 298.6615 44.7745 79.0979 558046.3963 9.4843 9.7430 PRESSURE: 2908800 346.266 -58.8578 -43.9875 -58.859 -2.6414 -51.2898 -43.9855 -51.2903 -113.507 GPRESSURE: 2908800 355.202 -82.606 12.2511 -80.5405 50.519 -108.784 -2.6106 -74.1167 -82.511 PRESSAVG: 2908800 62.1397 45.7294 24.8939 45.7294 -9.00291 35.9271 24.8938 35.9271 -54.2813 GPRESSAVG: 2908800 62.9177 43.3609 26.81 46.0896 -8.40314 36.3334 25.1489 34.7187 -56.22 TIMING: 2908800 CPU: 8671.38, 0.0029543/step Wall: 8671.38, 0.0029543/step, 1.71612 hours remaining, 207.437500 MB of memory in use. ENERGY: 2908800 746.0592 2132.0288 1924.1392 121.5393 -206226.7985 17744.7340 0.0000 0.0000 34160.3440 -149397.9540 298.3308 -183558.2980 -149308.1747 298.6652 76.7057 107.7368 556122.6565 -0.3815 -0.5685 PRESSURE: 2909000 -12.8434 -41.5079 91.5043 -41.5077 -165.96 41.7115 91.5021 41.7117 14.9146 GPRESSURE: 2909000 59.1863 -3.18217 107.016 -175.633 -89.9855 106.255 42.0958 14.2405 -47.5206 PRESSAVG: 2909000 -26.4503 10.1877 19.4598 10.1877 -0.285533 0.255427 19.4597 0.255357 39.8038 GPRESSAVG: 2909000 -27.002 13.5525 19.3759 9.6078 -1.46054 3.12906 18.1712 -0.305411 41.2738 TIMING: 2909000 CPU: 8671.98, 0.00296856/step Wall: 8671.98, 0.00296856/step, 1.72424 hours remaining, 207.437500 MB of memory in use. ENERGY: 2909000 713.7430 2025.2622 1942.3969 121.6084 -206124.9350 17671.1916 0.0000 0.0000 34179.5108 -149471.2220 298.4982 -183650.7328 -149372.2301 298.4642 -54.6298 -26.1066 558407.3205 4.3560 4.2704 PRESSURE: 2909200 -167.144 -52.5003 85.4444 -52.5009 -198.606 53.8514 85.4443 53.8524 -198.841 GPRESSURE: 2909200 -155.165 -82.4904 87.5245 -111.459 -174.118 50.959 183.488 26.4332 -143.771 PRESSAVG: 2909200 57.7359 18.5959 51.5939 18.5959 -7.99273 -15.9968 51.5937 -15.9968 -0.890128 GPRESSAVG: 2909200 57.7464 17.0782 54.2415 18.4154 -7.49913 -18.2772 51.1166 -16.9654 -1.86697 TIMING: 2909200 CPU: 8672.57, 0.00297994/step Wall: 8672.57, 0.00297994/step, 1.73068 hours remaining, 207.640625 MB of memory in use. ENERGY: 2909200 771.8223 2085.7491 1923.9265 119.1236 -205844.9809 17463.8544 0.0000 0.0000 34137.0467 -149343.4583 298.1273 -183480.5050 -149249.5671 298.6082 -188.1968 -157.6850 558585.4085 16.2844 16.1268 PRESSURE: 2909400 -83.3018 74.8067 -64.7376 74.8076 -383.364 97.7287 -64.7362 97.7265 -327.649 GPRESSURE: 2909400 -65.022 70.689 -165.564 53.713 -370.103 133.215 -105.917 48.4893 -256.069 PRESSAVG: 2909400 -48.3203 15.4594 72.2397 15.4593 4.28402 -27.3262 72.2397 -27.3262 -8.13744 GPRESSAVG: 2909400 -48.9551 15.1598 68.4128 15.2039 4.49233 -28.8471 73.4123 -26.9013 -7.86827 TIMING: 2909400 CPU: 8673.17, 0.00296008/step Wall: 8673.17, 0.00296008/step, 1.71899 hours remaining, 207.640625 MB of memory in use. ENERGY: 2909400 739.7898 2109.8367 1930.9039 113.1719 -205824.0991 17422.6444 0.0000 0.0000 34328.7925 -149178.9599 299.8019 -183507.7524 -149079.9645 299.2225 -264.7715 -230.3980 559738.8635 -17.3912 -17.4437 PRESSURE: 2909600 28.0182 91.7424 -67.1396 91.7414 -95.3984 30.4592 -67.1393 30.4579 -65.1601 GPRESSURE: 2909600 22.8425 -17.0032 16.1356 103.917 -74.7655 21.4638 -75.7758 0.86887 23.544 PRESSAVG: 2909600 -32.5816 8.71221 8.3648 8.7122 -18.0583 -64.8189 8.3648 -64.819 41.458 GPRESSAVG: 2909600 -32.6313 7.30354 9.08695 11.0034 -17.4188 -64.5885 9.3734 -63.7969 40.7186 TIMING: 2909600 CPU: 8673.76, 0.00295545/step Wall: 8673.76, 0.00295545/step, 1.71613 hours remaining, 207.640625 MB of memory in use. ENERGY: 2909600 758.5659 2131.3554 1914.8536 112.3025 -205905.3970 17724.2203 0.0000 0.0000 34223.7849 -149040.3143 298.8848 -183264.0992 -148945.1390 299.5611 -44.1801 -9.4597 558449.3075 -3.0606 -3.1105 PRESSURE: 2909800 -116.993 110.015 40.0617 110.014 -57.8415 129.874 40.0628 129.871 32.1695 GPRESSURE: 2909800 -75.4131 37.7371 49.6848 180.231 19.3616 92.4073 60.3815 181.523 9.71325 PRESSAVG: 2909800 -39.315 29.2065 -4.22912 29.2065 -4.18861 -8.38377 -4.22908 -8.38385 52.8778 GPRESSAVG: 2909800 -39.3603 29.819 -3.26437 25.3859 -5.00196 -9.7184 -5.49738 -9.45523 53.5292 TIMING: 2909800 CPU: 8674.34, 0.00292821/step Wall: 8674.34, 0.00292821/step, 1.70015 hours remaining, 207.640625 MB of memory in use. ENERGY: 2909800 739.6152 2081.5764 1933.2287 116.2239 -206036.5921 17557.7850 0.0000 0.0000 34560.1305 -149048.0324 301.8222 -183608.1629 -148949.9307 300.0050 -47.5551 -15.4461 557459.0925 3.1247 3.0556 PRESSURE: 2910000 21.4473 -22.9573 -166.644 -22.9563 -86.7723 -100.472 -166.644 -100.471 -103.611 GPRESSURE: 2910000 59.8431 45.647 -156.288 -32.8851 -51.5349 -19.5893 -166.923 -148.64 -83.8316 PRESSAVG: 2910000 29.8495 -7.65693 -19.0784 -7.6569 34.1893 -18.6408 -19.0784 -18.6408 -22.778 GPRESSAVG: 2910000 30.0625 -8.66425 -21.7501 -4.08605 33.5989 -16.8032 -18.0656 -18.4633 -22.5482 TIMING: 2910000 CPU: 8674.93, 0.00294236/step Wall: 8674.93, 0.00294236/step, 1.7082 hours remaining, 207.640625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2910000 754.7243 2087.0854 1947.4895 114.0767 -205699.3284 17675.7455 0.0000 0.0000 34158.3256 -148961.8814 298.3132 -183120.2070 -148865.4710 299.5802 -56.3119 -25.1744 557905.2662 13.7536 13.7044 PRESSURE: 2910200 -120.98 -165.196 79.5442 -165.196 57.2698 -59.1938 79.5432 -59.1951 131.011 GPRESSURE: 2910200 -129.183 -143.615 43.296 -83.7393 108.002 -106.133 79.3357 -15.0983 191.127 PRESSAVG: 2910200 70.9721 -89.1367 -28.0801 -89.1367 -93.2485 -41.086 -28.0801 -41.086 15.7486 GPRESSAVG: 2910200 71.7898 -89.6469 -28.1127 -89.8626 -93.358 -43.7063 -26.5416 -38.4513 15.4004 TIMING: 2910200 CPU: 8675.52, 0.00296144/step Wall: 8675.52, 0.00296144/step, 1.71912 hours remaining, 207.640625 MB of memory in use. ENERGY: 2910200 713.6574 2131.9188 1896.6630 114.0875 -206405.4743 17889.7210 0.0000 0.0000 34502.0920 -149157.3346 301.3154 -183659.4266 -149059.3924 300.3563 22.4336 56.6487 557887.3112 -2.1760 -2.0560 PRESSURE: 2910400 -37.8984 -219.134 -92.184 -219.135 -155.449 -126.97 -92.1841 -126.971 140.492 GPRESSURE: 2910400 25.0609 -157.267 -98.3771 -198.796 -130.569 -128.771 -190.822 -120.35 144.923 PRESSAVG: 2910400 18.6121 -42.7915 14.3118 -42.7914 -88.2701 -54.6619 14.3118 -54.6619 27.2707 GPRESSAVG: 2910400 17.5532 -41.8868 15.2609 -45.1517 -88.6726 -52.1632 12.3461 -56.7357 28.7514 TIMING: 2910400 CPU: 8676.11, 0.00293286/step Wall: 8676.11, 0.00293286/step, 1.70236 hours remaining, 207.640625 MB of memory in use. ENERGY: 2910400 726.5886 2091.8293 1932.5208 115.5899 -206312.2904 17885.9380 0.0000 0.0000 34371.8651 -149187.9586 300.1780 -183559.8237 -149093.3531 299.7065 -17.6187 13.1381 558584.1716 -14.1291 -14.1227 PRESSURE: 2910600 -258.526 -71.0533 56.2428 -71.0529 -109.92 143.14 56.2439 143.141 -283.413 GPRESSURE: 2910600 -232.689 -93.2118 36.7713 3.01817 -95.8971 149.09 124.666 114.361 -228.346 PRESSAVG: 2910600 49.7642 -59.3468 21.3039 -59.3469 -67.385 -8.39411 21.304 -8.39398 -18.6517 GPRESSAVG: 2910600 49.2821 -59.1554 20.8536 -58.0463 -67.3472 -10.4125 21.3747 -6.40312 -17.991 TIMING: 2910600 CPU: 8676.7, 0.00294061/step Wall: 8676.7, 0.00294061/step, 1.7067 hours remaining, 207.640625 MB of memory in use. ENERGY: 2910600 770.5367 2100.4398 1943.6105 123.0223 -205996.1565 17694.3780 0.0000 0.0000 34114.4706 -149249.6986 297.9302 -183364.1692 -149150.8514 299.5741 -217.2862 -185.6440 559195.1239 -12.0909 -12.0187 PRESSURE: 2910800 255.659 117.005 -153.785 117.005 127.04 79.0622 -153.785 79.0619 97.2238 GPRESSURE: 2910800 254.488 58.3762 -196.792 157.86 172.072 161.164 -155.311 -8.62729 147.719 PRESSAVG: 2910800 45.4956 -41.201 6.48847 -41.201 -58.6493 -42.8483 6.48853 -42.8483 -7.60822 GPRESSAVG: 2910800 47.0944 -40.3107 6.22267 -40.3667 -58.827 -42.1294 7.74369 -44.4845 -9.29517 TIMING: 2910800 CPU: 8677.29, 0.00294486/step Wall: 8677.29, 0.00294486/step, 1.709 hours remaining, 207.640625 MB of memory in use. ENERGY: 2910800 733.8430 2121.3000 1931.6754 121.2979 -206246.0162 17810.0110 0.0000 0.0000 34385.3023 -149142.5866 300.2954 -183527.8889 -149041.8325 298.8634 159.9742 191.4261 558069.3331 -6.9206 -7.0092 PRESSURE: 2911000 45.7953 2.36573 -175.093 2.36607 148.388 -16.9647 -175.093 -16.9647 95.0792 GPRESSURE: 2911000 75.4943 -27.3062 -188.017 29.3339 170.965 -11.7372 -202.101 -34.1165 148.34 PRESSAVG: 2911000 -61.8058 18.0717 -32.3199 18.0717 18.4245 19.476 -32.3198 19.476 44.9639 GPRESSAVG: 2911000 -63.0031 18.7264 -32.7204 18.7441 18.6881 18.7043 -34.6111 20.8996 45.7742 TIMING: 2911000 CPU: 8677.88, 0.00294419/step Wall: 8677.88, 0.00294419/step, 1.70845 hours remaining, 207.773438 MB of memory in use. ENERGY: 2911000 749.5984 2014.2644 1953.0619 111.6311 -206544.3029 18109.2439 0.0000 0.0000 34484.6498 -149121.8534 301.1630 -183606.5031 -149024.7461 300.2435 96.4208 131.5997 558406.8942 0.5275 0.4864 PRESSURE: 2911200 27.0672 -29.0846 90.0733 -29.0844 95.5846 29.9825 90.0733 29.9833 -11.3498 GPRESSURE: 2911200 76.9882 24.447 101.204 -117.518 113.227 67.0087 128.146 55.5791 37.588 PRESSAVG: 2911200 3.95082 -45.8943 17.3379 -45.8942 -11.6519 53.8228 17.3381 53.8229 23.041 GPRESSAVG: 2911200 4.14551 -45.6081 17.6781 -46.8575 -10.1525 56.1433 18.0829 53.1246 21.5273 TIMING: 2911200 CPU: 8678.46, 0.00294366/step Wall: 8678.46, 0.00294366/step, 1.70798 hours remaining, 207.773438 MB of memory in use. ENERGY: 2911200 761.3952 2153.1154 1916.4446 116.6367 -206571.0470 18080.2140 0.0000 0.0000 34395.7288 -149147.5122 300.3865 -183543.2410 -149054.2423 299.7844 37.1007 75.9345 557045.1803 5.1133 5.1734 PRESSURE: 2911400 43.9887 22.0757 181.016 22.0745 -108.77 -64.2439 181.016 -64.2447 -59.6112 GPRESSURE: 2911400 49.0794 46.1778 162.948 -56.3417 -73.139 -20.51 178.051 -104.65 -4.34324 PRESSAVG: 2911400 1.39608 15.6683 19.6424 15.6683 -5.28018 24.4714 19.6424 24.4713 -8.8508 GPRESSAVG: 2911400 1.30391 14.3341 18.5141 16.3867 -7.19187 22.3374 20.7564 24.1334 -6.94255 TIMING: 2911400 CPU: 8679.05, 0.00294528/step Wall: 8679.05, 0.00294528/step, 1.70875 hours remaining, 207.773438 MB of memory in use. ENERGY: 2911400 761.3412 2072.7753 1949.3016 104.6268 -206262.8133 17829.4236 0.0000 0.0000 34377.5539 -149167.7908 300.2277 -183545.3448 -149073.5163 299.5549 -41.4643 -9.4676 556360.7686 -4.2450 -4.2768 PRESSURE: 2911600 -6.30903 88.9686 38.093 88.9685 -34.7641 103.064 38.0926 103.063 -170.43 GPRESSURE: 2911600 24.3465 35.1241 95.9389 89.7247 -16.3661 53.5453 15.1258 132.072 -127.961 PRESSAVG: 2911600 15.3662 10.8363 -1.35943 10.8363 35.6812 -4.68002 -1.35946 -4.68012 -24.977 GPRESSAVG: 2911600 15.9982 11.6599 0.215841 9.96633 36.0869 -5.48128 -1.53122 -2.46289 -26.4326 TIMING: 2911600 CPU: 8679.64, 0.00294113/step Wall: 8679.64, 0.00294113/step, 1.70618 hours remaining, 207.773438 MB of memory in use. ENERGY: 2911600 760.6195 2110.7342 1937.5529 132.3152 -205924.8978 17506.3526 0.0000 0.0000 34150.7738 -149326.5497 298.2472 -183477.3234 -149230.0715 299.1490 -70.5010 -39.9934 556148.9023 8.6902 8.5508 PRESSURE: 2911800 71.2828 -128.918 -86.1135 -128.918 216.66 28.4014 -86.1132 28.4027 53.7432 GPRESSURE: 2911800 70.0151 -128.171 -119.814 -117.398 230.934 3.68882 -69.5231 20.3058 136.038 PRESSAVG: 2911800 23.3071 -68.6358 -31.1446 -68.6358 -16.6987 -5.48734 -31.1448 -5.48739 38.9765 GPRESSAVG: 2911800 23.2241 -68.6339 -33.6979 -66.7843 -16.9609 -2.79125 -31.2601 -9.72544 39.7003 TIMING: 2911800 CPU: 8680.23, 0.00294208/step Wall: 8680.23, 0.00294208/step, 1.70657 hours remaining, 207.773438 MB of memory in use. ENERGY: 2911800 761.1680 2099.1202 1961.6598 109.7091 -206422.3480 18129.6178 0.0000 0.0000 34227.0214 -149134.0518 298.9131 -183361.0732 -149036.4224 298.4873 113.8953 145.6626 556319.5861 15.1950 15.3212 PRESSURE: 2912000 37.6093 50.247 -74.738 50.2466 -2.28663 43.9232 -74.738 43.922 -205.426 GPRESSURE: 2912000 39.2883 124.081 -78.3381 83.3103 29.6511 -33.4634 -28.4281 89.5273 -131.002 PRESSAVG: 2912000 79.0234 11.9295 14.8078 11.9296 -54.6175 -6.9892 14.8078 -6.98917 -12.2578 GPRESSAVG: 2912000 78.3131 10.994 15.2036 8.52265 -53.0269 -9.46905 15.2316 -4.42614 -13.071 TIMING: 2912000 CPU: 8680.82, 0.00294516/step Wall: 8680.82, 0.00294516/step, 1.70819 hours remaining, 207.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2912000 735.2837 2129.3287 1926.1276 102.8054 -205936.7417 17616.4459 0.0000 0.0000 34274.9504 -149151.8000 299.3317 -183426.7504 -149061.4178 299.4226 -56.7012 -20.6875 556437.2622 4.0493 4.0718 PRESSURE: 2912200 222.603 -131.988 -165.478 -131.987 23.0079 -2.42192 -165.478 -2.42129 193.176 GPRESSURE: 2912200 173.954 -184.539 -195.067 -135.74 114.85 4.99008 -112.965 35.5259 255.101 PRESSAVG: 2912200 33.6668 -33.6241 -30.5524 -33.6241 -54.8326 -16.8243 -30.5524 -16.8243 33.5373 GPRESSAVG: 2912200 34.1247 -33.8233 -29.5029 -31.1403 -55.5672 -17.9109 -30.7365 -15.9123 34.6446 TIMING: 2912200 CPU: 8681.41, 0.00295233/step Wall: 8681.41, 0.00295233/step, 1.71219 hours remaining, 207.773438 MB of memory in use. ENERGY: 2912200 717.7977 2128.9955 1923.8649 104.8759 -206281.2160 17836.3804 0.0000 0.0000 34397.1160 -149172.1856 300.3986 -183569.3016 -149077.8712 299.2754 146.2623 181.3016 556986.5680 4.1238 4.4007 LDB: ============= START OF LOAD BALANCING ============== 8684.95 LDB: ============== END OF LOAD BALANCING =============== 8684.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8684.95 LDB: ============= START OF LOAD BALANCING ============== 8685.25 LDB: Largest compute 4773 load 0.027688 is 23.4% of average load 0.118221 LDB: Average compute 0.001737 is 1.5% of average load 0.118221 LDB: TIME 8685.25 LOAD: AVG 0.118221 MAX 0.200112 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 8685.25 LOAD: AVG 0.118221 MAX 0.200112 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 8685.25 LOAD: AVG 0.118221 MAX 0.200112 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8685.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8685.26 PRESSURE: 2912400 -186.24 -76.9374 5.35752 -76.9378 -353.112 28.6854 5.35769 28.6839 -189.899 GPRESSURE: 2912400 -174.325 -184.002 -66.3852 -1.4473 -296.535 -7.61947 -0.48913 -4.61077 -157.79 PRESSAVG: 2912400 23.2671 -21.0996 33.0108 -21.0996 -40.7161 1.33085 33.0109 1.331 30.0744 GPRESSAVG: 2912400 22.2996 -20.967 33.7272 -21.3827 -39.333 4.05859 32.0835 -0.301617 29.1811 TIMING: 2912400 CPU: 8682.01, 0.00299299/step Wall: 8682.01, 0.00299299/step, 1.7356 hours remaining, 206.734375 MB of memory in use. ENERGY: 2912400 765.1887 2110.8178 1930.9495 115.3069 -205915.1185 17510.3616 0.0000 0.0000 34439.1448 -149043.3493 300.7656 -183482.4941 -148945.9212 299.6670 -243.0838 -209.5501 557394.9656 4.2085 4.0492 PRESSURE: 2912600 211.308 10.5005 -77.2315 10.5005 -186.874 -66.5431 -77.2322 -66.545 -71.1846 GPRESSURE: 2912600 179.976 -15.4371 -62.472 -29.7538 -149.729 -143.86 -120.065 -14.5571 22.412 PRESSAVG: 2912600 39.4255 10.5935 -31.7736 10.5935 -18.316 -69.2213 -31.7736 -69.2213 35.4731 GPRESSAVG: 2912600 40.2115 9.14481 -30.8454 9.10292 -20.6906 -69.6133 -32.6103 -69.6546 36.9835 TIMING: 2912600 CPU: 8682.6, 0.00297686/step Wall: 8682.6, 0.00297686/step, 1.72608 hours remaining, 206.933594 MB of memory in use. ENERGY: 2912600 747.3150 2076.7827 1930.1334 102.7975 -206194.4315 17698.5792 0.0000 0.0000 34397.5348 -149241.2889 300.4022 -183638.8237 -149140.6166 299.4869 -15.5834 17.5531 555994.7841 18.8609 18.8348 PRESSURE: 2912800 -81.3509 -167.314 150.194 -167.315 -48.9425 215.406 150.194 215.406 -367.23 GPRESSURE: 2912800 -52.2079 -232.611 106.815 -139.947 -3.90683 198.408 150.563 241.887 -338.079 PRESSAVG: 2912800 8.79193 -40.3335 -43.8448 -40.3335 -30.1953 4.60083 -43.8447 4.60071 2.50068 GPRESSAVG: 2912800 9.27967 -39.0609 -45.7227 -38.4694 -29.5994 2.80212 -43.3679 6.27367 1.82976 TIMING: 2912800 CPU: 8683.2, 0.00299512/step Wall: 8683.2, 0.00299512/step, 1.73651 hours remaining, 206.933594 MB of memory in use. ENERGY: 2912800 765.7795 2106.0636 1929.4899 120.8868 -205954.6833 17550.8094 0.0000 0.0000 34193.0320 -149288.6221 298.6163 -183481.6541 -149188.6301 299.0382 -165.8411 -131.3979 556727.8073 -6.3009 -6.1633 PRESSURE: 2913000 209.979 -126.777 45.9388 -126.776 23.5192 -31.2032 45.9377 -31.2052 -95.181 GPRESSURE: 2913000 210.241 -138.776 27.147 -123.413 109.837 -91.2604 24.1392 -7.87598 -79.7509 PRESSAVG: 2913000 16.7846 4.72542 27.8196 4.72544 -29.1321 68.6644 27.8196 68.6643 29.7516 GPRESSAVG: 2913000 16.4656 7.22453 26.6533 1.70728 -28.5915 69.4965 29.8169 68.3032 29.8025 TIMING: 2913000 CPU: 8683.79, 0.0029466/step Wall: 8683.79, 0.0029466/step, 1.70821 hours remaining, 206.933594 MB of memory in use. ENERGY: 2913000 730.4212 2045.5518 1934.0346 114.3716 -206319.9814 17881.7815 0.0000 0.0000 34208.0362 -149405.7845 298.7473 -183613.8207 -149309.9352 298.6176 46.1058 80.1089 557345.3514 5.8014 5.8922 PRESSURE: 2913200 54.2283 -14.1667 17.2493 -14.1669 -344.864 75.0149 17.2511 75.0161 269.184 GPRESSURE: 2913200 104.074 34.7708 27.3141 -14.3121 -292.723 106.287 -46.864 37.9491 248.109 PRESSAVG: 2913200 -10.8345 21.8153 -31.3055 21.8155 -18.3731 27.3796 -31.3054 27.3798 30.7345 GPRESSAVG: 2913200 -10.6638 19.7493 -28.1317 23.1177 -18.4065 28.3578 -36.1107 27.7214 30.2463 TIMING: 2913200 CPU: 8684.38, 0.00294538/step Wall: 8684.38, 0.00294538/step, 1.70734 hours remaining, 206.933594 MB of memory in use. ENERGY: 2913200 700.7503 2136.8000 1922.7720 113.5524 -206080.2571 17633.8980 0.0000 0.0000 34121.6265 -149450.8579 297.9927 -183572.4844 -149346.4342 298.6807 -7.1507 19.8201 556749.2824 0.5090 0.3920 PRESSURE: 2913400 93.4815 29.0294 -39.8267 29.0303 120.365 -44.2548 -39.8264 -44.2561 -28.3017 GPRESSURE: 2913400 122.448 58.4203 3.61898 38.4172 147.402 -51.162 -45.0486 -29.4314 4.83834 PRESSAVG: 2913400 -2.80335 18.7984 -48.4741 18.7984 -53.8762 14.2614 -48.4741 14.2613 6.67155 GPRESSAVG: 2913400 -3.06594 16.6208 -50.84 20.7486 -54.3614 14.4512 -45.3967 12.227 7.16235 TIMING: 2913400 CPU: 8684.97, 0.00292709/step Wall: 8684.97, 0.00292709/step, 1.69658 hours remaining, 206.933594 MB of memory in use. ENERGY: 2913400 754.5175 2065.6560 1944.7157 119.3274 -206367.4460 17977.9580 0.0000 0.0000 33925.7786 -149579.4928 296.2823 -183505.2713 -149485.5422 298.5508 61.8482 91.5627 556872.9740 -16.6693 -16.7550 PRESSURE: 2913600 180.578 88.3519 -66.3315 88.3531 -80.2396 -69.6233 -66.3311 -69.6235 96.8386 GPRESSURE: 2913600 175.935 130.966 -97.7005 13.3853 -23.3854 -79.6354 -59.8973 -44.0509 139.199 PRESSAVG: 2913600 -28.436 -12.5987 -25.514 -12.5987 35.2746 -54.5334 -25.5139 -54.5334 -4.26731 GPRESSAVG: 2913600 -28.5772 -11.6046 -25.3787 -14.3106 35.0548 -54.7664 -25.6809 -52.812 -3.60488 TIMING: 2913600 CPU: 8685.55, 0.00294048/step Wall: 8685.55, 0.00294048/step, 1.70417 hours remaining, 206.933594 MB of memory in use. ENERGY: 2913600 723.3962 2158.2047 1930.2511 118.3740 -206478.1585 17922.4869 0.0000 0.0000 34304.5855 -149320.8602 299.5905 -183625.4458 -149225.3698 298.1521 65.7256 97.2496 557319.8983 0.8571 0.9576 PRESSURE: 2913800 85.7407 50.5705 -110.138 50.5698 125.26 -38.0825 -110.138 -38.083 352.218 GPRESSURE: 2913800 104.372 70.0184 -131.893 85.4473 207.417 -77.0092 -104.898 -35.6974 340.516 PRESSAVG: 2913800 -7.17362 7.23402 3.30969 7.23396 9.81375 -16.529 3.30962 -16.5289 5.74279 GPRESSAVG: 2913800 -6.50727 8.13221 4.20332 7.52012 10.1652 -14.7694 2.85218 -18.2063 4.68487 TIMING: 2913800 CPU: 8686.14, 0.00291504/step Wall: 8686.14, 0.00291504/step, 1.68926 hours remaining, 206.933594 MB of memory in use. ENERGY: 2913800 747.5047 2122.8899 1907.2269 112.9219 -206794.2217 18334.8013 0.0000 0.0000 34256.8047 -149312.0723 299.1732 -183568.8770 -149214.6565 298.6219 187.7394 217.4351 557642.7162 2.7943 2.7809 PRESSURE: 2914000 -1.01151 172.843 -213.744 172.844 73.9063 -29.0939 -213.744 -29.0948 -93.459 GPRESSURE: 2914000 31.1768 207.103 -170.132 66.3224 113.854 -77.298 -303.896 -12.1765 -71.1066 PRESSAVG: 2914000 -28.6044 -18.0598 -30.0068 -18.0597 44.2315 -12.7416 -30.0068 -12.7416 -22.5501 GPRESSAVG: 2914000 -27.9221 -18.6763 -30.2146 -17.7247 43.3355 -14.8662 -29.2842 -11.2414 -22.5051 TIMING: 2914000 CPU: 8686.72, 0.00293705/step Wall: 8686.72, 0.00293705/step, 1.70186 hours remaining, 206.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2914000 732.0164 2103.6031 1941.1028 113.0318 -206335.4987 17913.7071 0.0000 0.0000 34260.1862 -149271.8513 299.2027 -183532.0375 -149182.8204 298.8539 -6.8548 24.6414 557740.6991 -2.3077 -2.3639 PRESSURE: 2914200 -43.9987 -11.9033 -140.275 -11.9025 -219.097 35.0647 -140.275 35.0658 -78.4333 GPRESSURE: 2914200 -12.3166 24.2016 -166.307 -57.877 -194.773 104.393 -130.235 -28.8745 -27.6362 PRESSAVG: 2914200 43.5718 -21.3539 -39.3566 -21.3539 -18.3662 5.02167 -39.3567 5.02176 17.3934 GPRESSAVG: 2914200 43.9341 -21.6732 -40.5926 -20.8964 -19.0577 5.10213 -41.4902 4.84586 17.1867 TIMING: 2914200 CPU: 8687.31, 0.00294653/step Wall: 8687.31, 0.00294653/step, 1.70719 hours remaining, 206.933594 MB of memory in use. ENERGY: 2914200 740.8799 2115.6805 1929.9560 115.6612 -206214.0582 17805.5550 0.0000 0.0000 34150.4666 -149355.8591 298.2445 -183506.3257 -149256.4229 298.5152 -113.8430 -78.2420 558344.7302 14.1997 14.0210 PRESSURE: 2914400 -164.479 -70.9004 47.0791 -70.9015 -41.5977 -38.0742 47.0784 -38.074 -49.5164 GPRESSURE: 2914400 -125.806 -117.773 -2.25527 -47.668 -44.8937 -51.99 -9.07778 70.412 13.0635 PRESSAVG: 2914400 34.0524 4.12031 -25.618 4.12029 -7.33661 -17.3017 -25.6181 -17.3017 -36.5135 GPRESSAVG: 2914400 33.1516 4.86805 -24.1442 3.72791 -5.93673 -15.9491 -24.742 -17.4581 -37.2243 TIMING: 2914400 CPU: 8687.91, 0.00295551/step Wall: 8687.91, 0.00295551/step, 1.71222 hours remaining, 206.933594 MB of memory in use. ENERGY: 2914400 732.3938 2111.6644 1952.9125 103.9692 -206160.6193 17606.4757 0.0000 0.0000 34301.9968 -149351.2070 299.5679 -183653.2037 -149250.7254 298.7953 -85.1978 -52.5454 558396.8084 -3.2659 -3.3365 PRESSURE: 2914600 -371.857 43.312 -147.333 43.3118 -206.004 -103.175 -147.331 -103.173 -364.045 GPRESSURE: 2914600 -345.78 95.4221 -160.09 27.1467 -171.381 -31.421 -165.778 -129.602 -332.078 PRESSAVG: 2914600 -60.0952 -21.8208 -14.0847 -21.8207 46.4009 7.82496 -14.0847 7.82508 4.13441 GPRESSAVG: 2914600 -61.2283 -21.2552 -16.5785 -20.5151 46.2527 6.87182 -11.7058 8.02186 5.4605 TIMING: 2914600 CPU: 8688.49, 0.00293257/step Wall: 8688.49, 0.00293257/step, 1.69877 hours remaining, 206.933594 MB of memory in use. ENERGY: 2914600 712.6417 2097.8765 1952.3776 112.2562 -205777.9864 17298.1887 0.0000 0.0000 34078.4828 -149526.1628 297.6159 -183604.6457 -149428.7463 298.8099 -313.9687 -283.0795 559474.5382 -3.1867 -3.1717 PRESSURE: 2914800 -221.391 -45.7217 -195.249 -45.7218 -88.4722 -138.212 -195.249 -138.213 -100.992 GPRESSURE: 2914800 -244.052 -112.039 -71.696 -69.7242 -68.397 -104.681 -174.44 -135.985 -1.46511 PRESSAVG: 2914800 -30.3061 -5.03633 -25.3523 -5.03641 -7.30639 -40.8774 -25.3523 -40.8773 17.2258 GPRESSAVG: 2914800 -28.7912 -4.79928 -24.8732 -6.08071 -6.68292 -40.2493 -24.5826 -42.3458 15.3425 TIMING: 2914800 CPU: 8689.08, 0.00292754/step Wall: 8689.08, 0.00292754/step, 1.6957 hours remaining, 206.933594 MB of memory in use. ENERGY: 2914800 764.0874 2088.7259 1913.5925 110.3657 -206155.2478 17667.1864 0.0000 0.0000 34147.2917 -149463.9982 298.2168 -183611.2899 -149375.1706 298.1259 -136.9514 -104.6382 557774.8655 -6.7956 -6.7106 PRESSURE: 2915000 279.603 -190.35 206.702 -190.349 65.0926 -205.858 206.703 -205.859 -195.558 GPRESSURE: 2915000 275.573 -212.302 223.081 -157.432 57.9969 -155.951 159.698 -187.245 -81.406 PRESSAVG: 2915000 -26.7713 -23.0835 -48.7722 -23.0836 80.0878 7.07996 -48.7722 7.0798 -60.4302 GPRESSAVG: 2915000 -27.3818 -23.7535 -45.9994 -22.3433 78.3969 6.88226 -52.9832 10.1543 -58.0259 TIMING: 2915000 CPU: 8689.67, 0.0029624/step Wall: 8689.67, 0.0029624/step, 1.71572 hours remaining, 206.933594 MB of memory in use. ENERGY: 2915000 737.3276 2115.5813 1936.1680 125.1967 -206534.8204 17965.5069 0.0000 0.0000 34051.9544 -149603.0855 297.3842 -183655.0399 -149505.7808 297.8315 49.7126 84.0548 557512.9232 -2.3712 -2.3369 PRESSURE: 2915200 44.4293 136.849 -16.7696 136.848 325.723 184.857 -16.7681 184.857 -175.719 GPRESSURE: 2915200 64.9374 201.76 15.9139 129.655 368.195 243.019 32.4933 187.625 -141.931 PRESSAVG: 2915200 -6.26843 24.0824 -3.82424 24.0824 52.0917 35.5299 -3.82421 35.53 -33.8525 GPRESSAVG: 2915200 -6.93411 26.16 -5.46993 23.598 53.2802 37.1037 -1.77072 33.1232 -34.8152 TIMING: 2915200 CPU: 8690.26, 0.0029523/step Wall: 8690.26, 0.0029523/step, 1.70971 hours remaining, 206.933594 MB of memory in use. ENERGY: 2915200 749.5103 2106.4995 1973.1943 101.3677 -206689.9520 17974.1257 0.0000 0.0000 34129.2058 -149656.0487 298.0588 -183785.2545 -149555.2925 297.7383 64.8110 97.0671 556839.1423 3.9902 3.8436 PRESSURE: 2915400 -37.5266 -157.376 -28.8374 -157.376 -96.1291 14.2431 -28.8371 14.2411 120.795 GPRESSURE: 2915400 -3.70441 -160.973 -14.1615 -156.067 -62.9119 -105.676 19.1775 65.6974 160.269 PRESSAVG: 2915400 -47.4641 -43.4122 50.015 -43.4122 -18.7025 -36.101 50.015 -36.101 69.1442 GPRESSAVG: 2915400 -47.7509 -44.9142 48.9566 -43.1432 -18.5186 -38.5676 52.1867 -34.9857 69.1547 TIMING: 2915400 CPU: 8690.85, 0.00296243/step Wall: 8690.85, 0.00296243/step, 1.71541 hours remaining, 206.933594 MB of memory in use. ENERGY: 2915400 741.7054 2164.3491 1952.9953 109.8534 -206510.6238 17834.4193 0.0000 0.0000 34163.4888 -149543.8125 298.3582 -183707.3013 -149451.5256 298.3113 -4.2870 31.2177 557582.4254 0.9925 0.9617 PRESSURE: 2915600 -416.445 -14.228 134.672 -14.2272 86.7157 73.9324 134.671 73.9332 -290.37 GPRESSURE: 2915600 -368.497 1.5712 105.034 -29.8522 133.948 3.75382 175.627 122.662 -278.453 PRESSAVG: 2915600 -68.3413 -85.7303 9.66957 -85.7303 9.31966 -21.9458 9.66953 -21.9457 25.5506 GPRESSAVG: 2915600 -68.8705 -86.5524 12.356 -85.6176 9.52742 -19.9222 4.68369 -20.9034 25.9378 TIMING: 2915600 CPU: 8691.45, 0.00297886/step Wall: 8691.45, 0.00297886/step, 1.72476 hours remaining, 206.933594 MB of memory in use. ENERGY: 2915600 753.2024 2101.5751 1918.0013 99.6448 -206557.3733 17735.0810 0.0000 0.0000 34297.5360 -149652.3326 299.5289 -183949.8687 -149553.4861 298.5800 -206.6998 -171.0008 556769.6793 -11.1570 -11.1351 PRESSURE: 2915800 17.4195 -58.3197 -26.8327 -58.3203 -147.538 -232.969 -26.8322 -232.968 36.7702 GPRESSURE: 2915800 7.83308 -88.8007 -73.8576 -41.1973 -97.9958 -207.048 -38.4893 -175.559 83.3415 PRESSAVG: 2915800 -79.5456 -35.7755 3.13266 -35.7755 20.2144 -20.7454 3.13267 -20.7454 36.09 GPRESSAVG: 2915800 -78.1161 -35.3509 1.54737 -33.7923 19.5978 -20.8762 4.43617 -21.884 35.5019 TIMING: 2915800 CPU: 8692.05, 0.00298418/step Wall: 8692.05, 0.00298418/step, 1.72767 hours remaining, 206.933594 MB of memory in use. ENERGY: 2915800 703.9852 2070.3982 1941.6660 113.7222 -206289.9384 17678.4887 0.0000 0.0000 34147.7546 -149633.9235 298.2208 -183781.6781 -149534.3382 298.5069 -31.1161 -2.2737 556304.1647 -7.7470 -7.6722 PRESSURE: 2916000 0.349356 -140.832 81.3145 -140.832 241.188 -12.1407 81.3153 -12.1404 -77.9134 GPRESSURE: 2916000 32.293 -135.151 97.1139 -122.824 244.159 -112.341 55.9457 -14.2588 -0.649456 PRESSAVG: 2916000 -51.908 -38.5225 40.1604 -38.5224 -51.3099 -50.9816 40.1604 -50.9817 39.5462 GPRESSAVG: 2916000 -52.6739 -39.5969 40.3007 -37.8537 -49.9751 -49.7764 38.3281 -51.3385 39.6854 TIMING: 2916000 CPU: 8692.64, 0.00295367/step Wall: 8692.64, 0.00295367/step, 1.70985 hours remaining, 206.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2916000 765.0083 2039.1641 1952.2070 106.7683 -206714.9034 18088.3477 0.0000 0.0000 33978.9432 -149784.4648 296.7466 -183763.4080 -149686.9997 297.5842 54.5412 91.9342 556590.3646 -21.2239 -20.9879 PRESSURE: 2916200 225.326 26.1234 -15.831 26.1253 -41.0162 -0.29015 -15.8314 -0.290498 297.362 GPRESSURE: 2916200 325.994 -11.2687 -29.7636 -53.2822 7.54677 9.37567 -47.7383 -51.8074 248.027 PRESSAVG: 2916200 6.58171 -15.1187 -9.10537 -15.1187 6.08292 6.89113 -9.10539 6.89107 -48.0318 GPRESSAVG: 2916200 6.22501 -14.9751 -11.4707 -17.1408 5.22012 4.51298 -5.04846 8.61925 -47.2847 TIMING: 2916200 CPU: 8693.22, 0.00293651/step Wall: 8693.22, 0.00293651/step, 1.69975 hours remaining, 206.933594 MB of memory in use. ENERGY: 2916200 720.2479 2099.1113 1921.4609 112.8070 -206889.9087 18245.6861 0.0000 0.0000 33943.2430 -149847.3524 296.4348 -183790.5954 -149750.6637 297.2136 160.5573 193.8558 555472.3455 -11.7891 -11.9465 LDB: ============= START OF LOAD BALANCING ============== 8696.77 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8696.77 LDB: =============== DONE WITH MIGRATION ================ 8696.77 LDB: ============= START OF LOAD BALANCING ============== 8697.06 LDB: Largest compute 4773 load 0.027449 is 23.2% of average load 0.118180 LDB: Average compute 0.001736 is 1.5% of average load 0.118180 LDB: TIME 8697.07 LOAD: AVG 0.11818 MAX 0.201749 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 8697.07 LOAD: AVG 0.11818 MAX 0.201749 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.309 MB LDB: TIME 8697.07 LOAD: AVG 0.11818 MAX 0.201749 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.309 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8697.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8697.07 PRESSURE: 2916400 -155.261 33.0277 -105.753 33.0276 -147.826 97.6813 -105.754 97.6808 57.3025 GPRESSURE: 2916400 -137.796 20.5898 -11.0611 -54.619 -150.425 74.8186 -88.594 127.654 137.418 PRESSAVG: 2916400 21.3206 -78.181 21.7361 -78.1811 -2.79222 -5.36516 21.736 -5.36512 -0.402428 GPRESSAVG: 2916400 22.268 -76.1561 22.6807 -79.7226 -1.94075 -4.41251 20.6109 -7.12123 -1.99684 TIMING: 2916400 CPU: 8693.82, 0.00299612/step Wall: 8693.82, 0.00299612/step, 1.73409 hours remaining, 206.734375 MB of memory in use. ENERGY: 2916400 757.3294 2128.3203 1935.4798 117.1111 -206584.3512 17824.4228 0.0000 0.0000 33906.1973 -149915.4906 296.1113 -183821.6879 -149823.5164 297.3679 -81.9280 -50.2676 557923.5351 6.0420 6.1102 PRESSURE: 2916600 -57.2762 -61.7431 37.2314 -61.7431 66.3363 -257.407 37.2304 -257.407 -41.2637 GPRESSURE: 2916600 -36.6637 -27.3736 78.1062 -53.9995 75.4704 -274.813 -13.2219 -159.872 24.3034 PRESSAVG: 2916600 10.9324 -114.608 -28.3215 -114.608 -33.4633 -7.43856 -28.3214 -7.43858 -7.87831 GPRESSAVG: 2916600 10.6555 -117.189 -28.0751 -112.038 -34.2311 -8.05475 -27.1784 -5.69794 -6.39562 TIMING: 2916600 CPU: 8694.41, 0.00294519/step Wall: 8694.41, 0.00294519/step, 1.70445 hours remaining, 206.734375 MB of memory in use. ENERGY: 2916600 762.3993 2040.5677 1923.9499 113.7329 -206836.9112 17866.7547 0.0000 0.0000 34238.2558 -149891.2508 299.0112 -184129.5066 -149787.8684 297.4105 -10.7345 21.0367 556955.7062 -10.1364 -9.9904 PRESSURE: 2916800 254.587 -23.9739 89.4355 -23.9734 98.9839 4.20242 89.4363 4.20383 26.0909 GPRESSURE: 2916800 220.308 -16.8088 33.1408 -125.018 135.868 -49.5932 72.4813 8.96847 112.939 PRESSAVG: 2916800 33.9956 9.94583 47.4347 9.94584 -14.0479 17.5444 47.4348 17.5445 26.0911 GPRESSAVG: 2916800 33.7459 12.7986 46.9276 9.74354 -14.7153 19.861 47.3322 16.8047 27.0248 TIMING: 2916800 CPU: 8695, 0.00292634/step Wall: 8695, 0.00292634/step, 1.69338 hours remaining, 206.734375 MB of memory in use. ENERGY: 2916800 736.4485 2061.4168 1920.9431 113.4159 -206673.2042 18085.8932 0.0000 0.0000 33983.2999 -149771.7869 296.7846 -183755.0868 -149680.1041 298.4146 126.5539 156.3715 555998.5886 15.3463 15.3518 PRESSURE: 2917000 -88.5929 -252.658 -28.3271 -252.657 -44.666 -83.3069 -28.327 -83.308 -56.8721 GPRESSURE: 2917000 -35.7671 -185.433 54.2436 -309.027 -29.1686 -42.0197 4.75332 -165.57 -15.3552 PRESSAVG: 2917000 -74.4512 -14.1348 -3.78231 -14.1348 6.68145 -83.192 -3.78235 -83.192 47.5515 GPRESSAVG: 2917000 -74.1674 -15.0684 -3.43393 -12.9682 7.08999 -84.3537 -3.8348 -85.1972 46.6082 TIMING: 2917000 CPU: 8695.59, 0.00294742/step Wall: 8695.59, 0.00294742/step, 1.70541 hours remaining, 206.734375 MB of memory in use. ENERGY: 2917000 773.4878 2086.9964 1925.5839 115.0157 -206543.3514 17834.4348 0.0000 0.0000 34128.8803 -149678.9525 298.0560 -183807.8328 -149589.6275 297.6284 -63.3770 -26.7637 557161.0119 -6.7394 -6.8231 PRESSURE: 2917200 -171.128 -12.6317 115.76 -12.6301 15.4483 74.9489 115.761 74.9499 -112.502 GPRESSURE: 2917200 -64.4393 34.4461 20.0542 -34.1276 25.5978 69.1154 172.889 53.8364 -132.147 PRESSAVG: 2917200 -0.842196 -48.2606 6.31194 -48.2606 0.482822 -20.3217 6.31198 -20.3217 16.3909 GPRESSAVG: 2917200 -0.363136 -48.6056 2.92152 -49.9347 0.318924 -21.9538 6.12134 -18.695 16.1698 TIMING: 2917200 CPU: 8696.18, 0.00297258/step Wall: 8696.18, 0.00297258/step, 1.7198 hours remaining, 206.734375 MB of memory in use. ENERGY: 2917200 767.8879 2101.7528 1929.0988 103.9407 -206674.9776 17889.3721 0.0000 0.0000 34343.9219 -149539.0034 299.9340 -183882.9253 -149441.3217 298.3495 -89.3940 -56.9963 558269.4782 5.3438 5.3752 PRESSURE: 2917400 -61.7268 62.1543 127.503 62.1542 -156.442 26.8387 127.503 26.8379 -260.692 GPRESSURE: 2917400 14.1541 147.792 172.335 38.6928 -168.869 -43.1407 71.4807 40.2671 -233.429 PRESSAVG: 2917400 47.4932 -69.5966 8.63091 -69.5966 15.9881 -10.2765 8.63088 -10.2765 -77.9025 GPRESSAVG: 2917400 47.5553 -69.6785 13.0606 -68.9765 16.8793 -7.8604 9.30531 -11.557 -78.9529 TIMING: 2917400 CPU: 8696.77, 0.00294446/step Wall: 8696.77, 0.00294446/step, 1.70337 hours remaining, 206.734375 MB of memory in use. ENERGY: 2917400 743.1784 2066.8025 1931.3314 114.9748 -206411.0927 17683.0202 0.0000 0.0000 34237.6972 -149634.0881 299.0063 -183871.7853 -149537.2960 298.9542 -159.6201 -129.3813 557398.7051 -4.8071 -4.8394 PRESSURE: 2917600 119.75 196.809 -17.4185 196.81 107.76 109.189 -17.4192 109.191 -172.733 GPRESSURE: 2917600 203.267 169.54 38.125 227.861 89.9033 82.7927 -5.29605 82.3531 -144.558 PRESSAVG: 2917600 86.3074 3.56019 -44.2817 3.56022 25.5413 41.2374 -44.2816 41.2376 -49.6705 GPRESSAVG: 2917600 85.5419 3.14744 -46.0439 3.43922 25.0791 41.3991 -44.2195 40.3724 -48.7685 TIMING: 2917600 CPU: 8697.36, 0.00294597/step Wall: 8697.36, 0.00294597/step, 1.70408 hours remaining, 206.734375 MB of memory in use. ENERGY: 2917600 734.4626 2094.8298 1949.5027 105.9746 -206366.0213 17833.7069 0.0000 0.0000 34013.7362 -149633.8087 297.0504 -183647.5449 -149532.0196 298.1121 18.2590 49.5374 557522.0674 20.7261 20.6175 PRESSURE: 2917800 191.1 132.942 -112.369 132.94 -75.6443 -20.3247 -112.371 -20.3247 -5.8627 GPRESSURE: 2917800 248.399 181.275 -171.735 78.46 -45.9786 -121.088 -88.6836 -1.95788 6.98677 PRESSAVG: 2917800 57.5158 18.2303 1.00805 18.2303 4.81906 -27.4528 1.00802 -27.4527 -77.1375 GPRESSAVG: 2917800 57.2969 19.5111 1.66823 19.1082 4.51337 -29.5499 -1.22259 -27.2308 -76.2171 TIMING: 2917800 CPU: 8697.95, 0.00294229/step Wall: 8697.95, 0.00294229/step, 1.70179 hours remaining, 206.734375 MB of memory in use. ENERGY: 2917800 728.0077 2055.0395 1927.3656 106.6711 -206590.0978 18008.3140 0.0000 0.0000 34137.6369 -149627.0630 298.1325 -183764.6999 -149533.3281 297.7387 36.5309 69.8024 556638.0292 -4.9342 -4.8023 PRESSURE: 2918000 -279.432 58.3113 30.3798 58.3122 257.451 -58.5204 30.3805 -58.5177 -356.593 GPRESSURE: 2918000 -278.46 111.483 32.4777 25.5836 235.543 -69.6132 49.3824 -84.6912 -243.386 PRESSAVG: 2918000 -22.2625 30.5418 -4.92403 30.5417 24.6583 -2.65433 -4.92399 -2.65435 -7.11326 GPRESSAVG: 2918000 -21.75 29.4309 -5.8418 30.5485 24.172 -1.99017 -2.22398 -1.32316 -6.78105 TIMING: 2918000 CPU: 8698.53, 0.00291961/step Wall: 8698.53, 0.00291961/step, 1.68851 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2918000 718.0500 2006.4207 1947.7973 110.7482 -206550.3024 17875.8981 0.0000 0.0000 34469.0027 -149422.3855 301.0264 -183891.3881 -149318.5355 298.6265 -126.1913 -95.4348 556808.4943 -1.5725 -1.4530 PRESSURE: 2918200 -317.792 138.607 -20.6937 138.607 -69.5709 200.511 -20.692 200.512 -8.44779 GPRESSURE: 2918200 -297.488 47.1364 -102.31 180.049 -32.1899 152.106 67.0818 176.621 20.1161 PRESSAVG: 2918200 -54.3157 47.2102 -46.8956 47.2102 35.3345 40.3099 -46.8956 40.31 3.10509 GPRESSAVG: 2918200 -55.5078 48.7431 -45.9685 45.7093 37.769 40.8436 -48.582 39.482 1.56084 TIMING: 2918200 CPU: 8699.12, 0.0029626/step Wall: 8699.12, 0.0029626/step, 1.7132 hours remaining, 206.734375 MB of memory in use. ENERGY: 2918200 767.0364 2155.0341 1946.5908 109.1867 -206137.3967 17629.1681 0.0000 0.0000 34104.7983 -149425.5823 297.8457 -183530.3806 -149329.4421 298.5025 -131.9369 -103.1874 556454.0510 -5.2920 -5.3927 PRESSURE: 2918400 107.624 59.0216 -9.78279 59.0221 -36.6566 -158.428 -9.7825 -158.43 -177.079 GPRESSURE: 2918400 148.23 25.5861 -21.5936 -9.67089 -37.968 -124.557 -37.1582 -146.373 -110.492 PRESSAVG: 2918400 8.96339 -35.7513 -13.7695 -35.7513 15.535 -2.25042 -13.7696 -2.25048 -11.9328 GPRESSAVG: 2918400 9.37507 -36.5206 -13.6667 -36.3276 14.1471 -1.39526 -13.0731 -0.784742 -11.0011 TIMING: 2918400 CPU: 8699.71, 0.00294181/step Wall: 8699.71, 0.00294181/step, 1.70102 hours remaining, 206.734375 MB of memory in use. ENERGY: 2918400 754.2515 2121.2921 1936.8646 102.7977 -206083.0524 17658.6990 0.0000 0.0000 34113.9587 -149395.1889 297.9257 -183509.1476 -149293.4232 298.3473 -35.3706 -0.0766 556592.6609 4.1885 4.1737 PRESSURE: 2918600 -325.844 -98.9916 15.6237 -98.9914 -192.695 156.986 15.6236 156.987 -61.0383 GPRESSURE: 2918600 -285.743 -21.2393 38.3019 -118.213 -161.531 211.072 -38.7683 136.28 -41.0094 PRESSAVG: 2918600 39.6095 11.4569 16.4645 11.4569 -50.6371 37.9186 16.4646 37.9187 38.768 GPRESSAVG: 2918600 40.5922 10.9369 18.2177 10.1891 -51.7374 37.4894 13.6562 37.4926 38.8999 TIMING: 2918600 CPU: 8700.31, 0.00298205/step Wall: 8700.31, 0.00298205/step, 1.72412 hours remaining, 206.734375 MB of memory in use. ENERGY: 2918600 747.3624 2109.1281 1924.6662 119.5541 -205762.4005 17487.2821 0.0000 0.0000 34049.4035 -149325.0040 297.3619 -183374.4076 -149227.2137 298.7498 -193.1926 -162.7613 558484.4257 9.2468 9.2516 PRESSURE: 2918800 25.6916 -132.662 225.826 -132.662 -280.689 -100.968 225.825 -100.968 -161.782 GPRESSURE: 2918800 32.9058 -209.675 220.35 -64.6899 -201.233 -152.613 141.047 -77.3263 -142.334 PRESSAVG: 2918800 -46.4462 -19.4566 6.87626 -19.4566 29.0396 24.8412 6.87626 24.8412 -18.7122 GPRESSAVG: 2918800 -47.3416 -20.0545 7.5138 -16.4825 30.2432 24.8967 7.28041 23.8845 -19.1788 TIMING: 2918800 CPU: 8700.9, 0.00296807/step Wall: 8700.9, 0.00296807/step, 1.71588 hours remaining, 206.734375 MB of memory in use. ENERGY: 2918800 769.1421 2064.2529 1944.8745 112.9612 -205994.1682 17598.2775 0.0000 0.0000 34261.7919 -149242.8680 299.2168 -183504.6599 -149149.0454 299.0732 -138.9265 -103.5540 556755.8929 -12.0396 -12.0924 PRESSURE: 2919000 108.289 120.421 27.086 120.42 426.48 -71.3248 27.086 -71.3241 80.215 GPRESSURE: 2919000 132.84 172.395 13.6414 56.907 457.197 -71.4578 28.467 -110.317 117.604 PRESSAVG: 2919000 -48.6464 17.969 24.4133 17.9689 -53.4325 -12.2619 24.4134 -12.2619 87.1626 GPRESSAVG: 2919000 -48.8945 17.8328 23.1114 19.5227 -53.2054 -14.2644 26.1123 -11.5282 87.4449 TIMING: 2919000 CPU: 8701.49, 0.0029635/step Wall: 8701.49, 0.0029635/step, 1.71307 hours remaining, 206.734375 MB of memory in use. ENERGY: 2919000 729.1379 2102.4504 1918.8210 113.2597 -206530.5344 18184.0865 0.0000 0.0000 34163.0302 -149319.7486 298.3542 -183482.7788 -149213.0587 298.7316 204.9948 235.8803 557076.9375 -4.9721 -4.8850 PRESSURE: 2919200 208.978 128.347 -23.495 128.347 128.749 -114.95 -23.4933 -114.95 53.3336 GPRESSURE: 2919200 240.051 52.2071 -42.5622 179.102 118.298 -94.4557 -50.0004 -125.849 117.708 PRESSAVG: 2919200 -43.6778 44.3515 55.4926 44.3514 26.9365 16.7536 55.4926 16.7536 14.919 GPRESSAVG: 2919200 -43.2402 44.5289 56.1235 42.3747 27.3932 17.6573 55.1729 17.7045 13.7084 TIMING: 2919200 CPU: 8702.09, 0.00296936/step Wall: 8702.09, 0.00296936/step, 1.71629 hours remaining, 206.734375 MB of memory in use. ENERGY: 2919200 699.3691 2061.5855 1940.9555 112.4755 -206383.4708 17913.1797 0.0000 0.0000 34274.6494 -149381.2562 299.3290 -183655.9055 -149283.3960 298.8007 130.3536 158.6855 557166.5804 -0.6074 -0.7129 PRESSURE: 2919400 74.1441 113.09 -12.5207 113.089 -140.01 180.089 -12.5199 180.087 -184.059 GPRESSURE: 2919400 115.958 63.2117 6.9697 193.94 -169.883 167.493 -102.722 233.272 -100.202 PRESSAVG: 2919400 -26.4348 1.8652 29.216 1.8652 -11.8957 22.4315 29.216 22.4314 27.679 GPRESSAVG: 2919400 -25.2568 2.23408 28.178 1.43146 -13.6941 24.2696 28.9912 18.6276 28.4446 TIMING: 2919400 CPU: 8702.68, 0.00293671/step Wall: 8702.68, 0.00293671/step, 1.69726 hours remaining, 206.734375 MB of memory in use. ENERGY: 2919400 696.0326 2039.2228 1954.6613 116.3286 -205979.7024 17796.9690 0.0000 0.0000 33941.7158 -149434.7724 296.4214 -183376.4882 -149330.2202 298.6205 -83.3084 -51.3759 558571.8967 -3.5505 -3.5021 PRESSURE: 2919600 178.413 -96.8807 47.2422 -96.8817 140.929 -82.841 47.2416 -82.8432 -290.288 GPRESSURE: 2919600 215.187 -19.9051 2.89097 -104.334 153.973 -86.5886 157.613 -59.1776 -249.044 PRESSAVG: 2919600 57.3992 -30.7428 -24.6486 -30.7427 -34.7859 30.8777 -24.6485 30.8776 -44.5001 GPRESSAVG: 2919600 57.3252 -31.7176 -24.5135 -30.1969 -34.9397 29.8649 -24.0829 33.2053 -44.4673 TIMING: 2919600 CPU: 8703.26, 0.00292707/step Wall: 8703.26, 0.00292707/step, 1.69152 hours remaining, 206.734375 MB of memory in use. ENERGY: 2919600 748.2057 2089.9371 1932.6250 108.6351 -205864.6621 17674.4091 0.0000 0.0000 33996.9679 -149313.8822 296.9040 -183310.8501 -149223.9394 298.4173 9.6848 40.0387 557820.5250 -7.2956 -7.3606 PRESSURE: 2919800 22.036 -54.6653 -87.4358 -54.6656 253.065 -8.54436 -87.4369 -8.54345 -102.776 GPRESSURE: 2919800 94.8942 -143.414 -85.5976 -41.8441 246.38 13.7185 -92.3991 -7.71446 -76.532 PRESSAVG: 2919800 -11.3363 14.1575 55.0991 14.1574 72.0435 -19.0324 55.0991 -19.0323 3.60273 GPRESSAVG: 2919800 -11.8311 14.5988 54.7173 13.2631 71.7028 -18.1958 54.8409 -20.1584 3.67354 TIMING: 2919800 CPU: 8703.85, 0.00294604/step Wall: 8703.85, 0.00294604/step, 1.70232 hours remaining, 206.734375 MB of memory in use. ENERGY: 2919800 721.1424 2073.3457 1922.3962 115.1743 -206664.8952 18003.5388 0.0000 0.0000 34489.9510 -149339.3469 301.2093 -183829.2979 -149252.3837 298.6553 57.4417 88.2476 557750.4671 21.4366 21.1817 PRESSURE: 2920000 156.215 10.6012 34.8216 10.6011 163.973 -19.567 34.8215 -19.565 50.4266 GPRESSURE: 2920000 219.179 56.3462 23.753 -68.1474 167.816 -52.8379 22.9321 105.086 75.2688 PRESSAVG: 2920000 26.635 -8.6854 -10.3266 -8.68536 4.50898 -48.208 -10.3267 -48.208 -19.8503 GPRESSAVG: 2920000 27.2609 -7.39237 -9.21945 -9.94702 4.64018 -46.874 -10.5968 -48.0173 -20.7993 TIMING: 2920000 CPU: 8704.43, 0.00291963/step Wall: 8704.43, 0.00291962/step, 1.68689 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2920000 695.0979 2074.2084 1897.2022 108.8265 -206342.9832 17994.1050 0.0000 0.0000 34162.7783 -149410.7649 298.3520 -183573.5432 -149317.9643 299.0372 123.5382 154.0881 557391.1835 3.7646 3.7006 PRESSURE: 2920200 -93.6035 4.60554 -237.95 4.60634 -264.825 -8.79335 -237.95 -8.79182 -274.626 GPRESSURE: 2920200 -95.0417 -95.6036 -155.853 57.8044 -248.729 34.5373 -163.913 -44.2175 -183.106 PRESSAVG: 2920200 22.1308 6.73343 -41.0181 6.73344 -42.1951 -26.244 -41.0181 -26.2441 2.0473 GPRESSAVG: 2920200 21.4506 5.21264 -40.9561 7.55827 -41.8268 -30.5006 -40.1528 -23.8449 3.03603 TIMING: 2920200 CPU: 8705.02, 0.00292436/step Wall: 8705.02, 0.00292436/step, 1.68947 hours remaining, 206.734375 MB of memory in use. ENERGY: 2920200 751.8559 2045.5206 1937.1283 130.3342 -205919.6666 17623.9333 0.0000 0.0000 34219.7917 -149211.1025 298.8500 -183430.8942 -149108.6201 298.4899 -211.0181 -175.6256 559183.6701 -6.0056 -5.7801 LDB: ============= START OF LOAD BALANCING ============== 8708.56 LDB: ============== END OF LOAD BALANCING =============== 8708.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8708.56 LDB: ============= START OF LOAD BALANCING ============== 8708.86 LDB: Largest compute 4773 load 0.026254 is 22.2% of average load 0.118320 LDB: Average compute 0.001729 is 1.5% of average load 0.118320 LDB: TIME 8708.86 LOAD: AVG 0.11832 MAX 0.202501 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 8708.86 LOAD: AVG 0.11832 MAX 0.202501 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.309 MB LDB: TIME 8708.86 LOAD: AVG 0.11832 MAX 0.202501 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.309 MB LDB: ============== END OF LOAD BALANCING =============== 8708.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8708.86 PRESSURE: 2920400 60.1509 19.3382 -3.67794 19.3382 140.496 32.3664 -3.67722 32.3668 -15.4875 GPRESSURE: 2920400 75.0734 34.8868 -16.4935 18.6154 107.257 155.398 -12.8311 -49.416 95.6204 PRESSAVG: 2920400 -17.479 19.0086 26.8417 19.0086 -0.791813 23.3044 26.8417 23.3044 50.4258 GPRESSAVG: 2920400 -18.3911 18.6465 25.9226 20.5839 -0.656529 27.1632 26.1381 20.6854 50.6972 TIMING: 2920400 CPU: 8705.61, 0.00297525/step Wall: 8705.61, 0.00297525/step, 1.7187 hours remaining, 206.734375 MB of memory in use. ENERGY: 2920400 717.0117 2129.7843 1935.9333 120.3282 -206305.2477 18002.5592 0.0000 0.0000 34172.1289 -149227.5021 298.4337 -183399.6310 -149134.0729 299.0279 61.7200 92.6504 557882.7954 10.7183 10.5499 PRESSURE: 2920600 -33.3173 -44.578 -67.5176 -44.5784 170.674 10.6746 -67.5165 10.673 -34.4279 GPRESSURE: 2920600 11.2915 -20.6177 -34.5753 35.004 187.403 -20.517 -71.5142 28.9838 8.06046 PRESSAVG: 2920600 -16.6303 13.7123 -39.434 13.7123 28.4968 -25.6711 -39.4339 -25.6711 31.4571 GPRESSAVG: 2920600 -16.1441 13.5967 -39.1852 14.0396 27.9844 -26.9612 -38.3775 -25.6254 31.5658 TIMING: 2920600 CPU: 8706.21, 0.00296708/step Wall: 8706.21, 0.00296708/step, 1.71382 hours remaining, 206.937500 MB of memory in use. ENERGY: 2920600 731.4828 2109.4886 1946.5884 112.3570 -206208.5863 17831.8670 0.0000 0.0000 34218.3883 -149258.4143 298.8377 -183476.8026 -149158.7565 299.9777 34.3096 68.9183 556165.0189 14.4412 14.4687 PRESSURE: 2920800 -271.473 -79.1247 3.46111 -79.1269 -17.0594 -49.9638 3.46194 -49.9655 -238.79 GPRESSURE: 2920800 -199.528 -38.4231 144.507 -94.8351 -28.8907 -31.5708 -53.9415 -39.7929 -208.413 PRESSAVG: 2920800 -80.8023 25.6274 -37.0938 25.6275 46.2168 23.5202 -37.0937 23.5202 0.793853 GPRESSAVG: 2920800 -80.3873 27.6019 -37.2484 24.6982 47.1453 22.8695 -36.9704 24.1779 -0.406309 TIMING: 2920800 CPU: 8706.8, 0.00297375/step Wall: 8706.8, 0.00297375/step, 1.71751 hours remaining, 206.937500 MB of memory in use. ENERGY: 2920800 758.0803 2141.7531 1916.6507 110.0788 -206028.5369 17613.0355 0.0000 0.0000 34209.8590 -149279.0793 298.7632 -183488.9383 -149193.7380 299.2838 -175.7743 -145.6105 556986.8987 -11.2639 -11.2161 PRESSURE: 2921000 8.64725 -64.354 3.0778 -64.3521 -5.9149 -26.0686 3.07852 -26.0692 -117.677 GPRESSURE: 2921000 59.8651 -117.541 -20.5699 -43.5247 -26.3667 -12.3402 65.9082 -117.988 -64.938 PRESSAVG: 2921000 -31.927 -22.6635 -29.4704 -22.6635 63.0348 -17.6712 -29.4705 -17.6712 -26.9295 GPRESSAVG: 2921000 -30.2286 -23.1267 -29.494 -21.8045 62.1519 -18.9985 -30.4195 -18.0012 -27.5746 TIMING: 2921000 CPU: 8707.4, 0.00297143/step Wall: 8707.4, 0.00297143/step, 1.716 hours remaining, 206.937500 MB of memory in use. ENERGY: 2921000 745.7787 2112.6870 1947.5996 113.0346 -206276.1419 17808.4869 0.0000 0.0000 34324.9990 -149223.5562 299.7688 -183548.5551 -149123.9865 300.0958 -38.3147 -10.4799 556915.7183 1.3928 1.4495 PRESSURE: 2921200 -169.22 127.303 -49.7284 127.304 8.90503 -129.912 -49.7296 -129.911 108.505 GPRESSURE: 2921200 -133.919 196.797 -70.5829 66.5135 61.9984 -119.775 13.4923 -68.1136 115.476 PRESSAVG: 2921200 28.8568 -3.07706 -82.347 -3.07709 44.4487 5.04741 -82.347 5.04745 -68.7478 GPRESSAVG: 2921200 26.8811 -3.09756 -80.706 -2.88994 45.23 5.58543 -84.3625 6.60591 -68.2371 TIMING: 2921200 CPU: 8707.99, 0.00295221/step Wall: 8707.99, 0.00295221/step, 1.70474 hours remaining, 206.937500 MB of memory in use. ENERGY: 2921200 732.8472 2092.0590 1939.9996 121.7091 -206352.3385 17906.6135 0.0000 0.0000 34444.9073 -149114.2028 300.8159 -183559.1102 -149017.7450 299.9784 -17.2700 14.5186 557329.3943 1.5192 1.2913 PRESSURE: 2921400 -144.648 52.1136 -3.30394 52.1134 -116.24 -145.924 -3.30262 -145.925 -106.05 GPRESSURE: 2921400 -131.469 -9.48707 -38.0638 115.514 -118.414 -171.24 -25.8849 -81.4751 -24.2725 PRESSAVG: 2921400 -51.4455 29.6727 -63.6754 29.6728 54.9674 15.1984 -63.6755 15.1983 -10.0906 GPRESSAVG: 2921400 -50.8015 30.5943 -63.4377 28.4086 54.0041 14.5209 -61.5232 14.4581 -8.92734 TIMING: 2921400 CPU: 8708.58, 0.00297926/step Wall: 8708.58, 0.00297926/step, 1.72019 hours remaining, 206.937500 MB of memory in use. ENERGY: 2921400 752.7820 2059.5697 1933.7153 103.9879 -205836.7525 17680.4141 0.0000 0.0000 34346.0583 -148960.2252 299.9527 -183306.2834 -148864.3516 299.4055 -122.3129 -91.3852 557828.4287 -2.1896 -1.9083 PRESSURE: 2921600 150.191 -36.7599 135.447 -36.7605 119.209 54.2219 135.447 54.2224 114.905 GPRESSURE: 2921600 200.791 9.65212 121.852 42.401 140.579 35.365 125.694 100.707 131.343 PRESSAVG: 2921600 6.97712 11.7933 -1.44677 11.7932 -19.0229 -2.02056 -1.44666 -2.02062 6.81859 GPRESSAVG: 2921600 6.58782 9.31516 -2.99547 14.1256 -18.2955 -0.417981 -0.35873 -3.5286 7.03698 TIMING: 2921600 CPU: 8709.18, 0.00296773/step Wall: 8709.18, 0.00296773/step, 1.71337 hours remaining, 206.937500 MB of memory in use. ENERGY: 2921600 761.8766 2098.4656 1954.2256 127.3139 -206214.5353 17902.9512 0.0000 0.0000 34278.9796 -149090.7229 299.3669 -183369.7024 -149005.0089 299.3949 128.1015 157.5710 556522.5735 -1.7424 -1.5569 PRESSURE: 2921800 2.49705 216.541 -81.3107 216.54 53.5849 -56.2003 -81.3105 -56.1979 70.1801 GPRESSURE: 2921800 69.4849 160.533 -88.5959 163.297 83.1633 25.6135 -49.8668 -112.519 70.305 PRESSAVG: 2921800 -46.7034 31.1946 -4.96139 31.1947 20.4132 -64.9257 -4.96144 -64.9257 23.2756 GPRESSAVG: 2921800 -46.2907 32.9311 -6.04599 29.0363 19.4194 -67.8031 -5.59315 -64.6602 23.5779 TIMING: 2921800 CPU: 8709.76, 0.00293601/step Wall: 8709.76, 0.00293601/step, 1.69489 hours remaining, 206.937500 MB of memory in use. ENERGY: 2921800 758.0486 2115.7546 1928.0771 113.8127 -206100.1508 17913.9369 0.0000 0.0000 34163.1626 -149107.3583 298.3554 -183270.5209 -149014.2688 299.1497 42.0874 74.3177 557863.2269 -1.0048 -1.0978 PRESSURE: 2922000 -253.896 30.094 309.304 30.0944 -139.542 78.6223 309.304 78.6234 -57.0923 GPRESSURE: 2922000 -233.904 -1.92725 366.42 81.4553 -86.4971 131.341 225.377 94.4054 -32.4294 PRESSAVG: 2922000 -46.0085 22.9971 24.3124 22.997 -55.5526 14.249 24.3124 14.2491 113.661 GPRESSAVG: 2922000 -46.1698 21.9214 24.9762 24.4558 -54.2917 17.4528 23.0849 13.1727 112.992 TIMING: 2922000 CPU: 8710.36, 0.00299509/step Wall: 8710.36, 0.00299509/step, 1.72883 hours remaining, 206.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2922000 757.8445 2117.0207 1947.8709 116.9864 -205800.9785 17635.9484 0.0000 0.0000 34191.2825 -149034.0252 298.6010 -183225.3077 -148936.9999 299.2334 -150.1766 -117.6100 559212.9617 4.0333 4.1768 PRESSURE: 2922200 212.515 253.311 52.8685 253.312 14.6584 68.2557 52.8689 68.2549 -172.697 GPRESSURE: 2922200 213.273 274.695 49.9263 207.707 57.127 88.5676 103.122 51.9768 -119.744 PRESSAVG: 2922200 -44.8201 -18.1961 -9.10501 -18.1961 -30.7658 41.7902 -9.10501 41.7903 58.041 GPRESSAVG: 2922200 -45.2494 -18.1747 -7.47285 -19.3435 -31.3561 41.492 -8.49382 43.2619 58.6648 TIMING: 2922200 CPU: 8710.96, 0.00296863/step Wall: 8710.96, 0.00296863/step, 1.71339 hours remaining, 206.937500 MB of memory in use. ENERGY: 2922200 714.6950 2154.3960 1950.3344 111.9551 -205920.1393 17692.7763 0.0000 0.0000 34289.4232 -149006.5591 299.4581 -183295.9824 -148910.0315 299.3484 18.1589 50.2187 557531.5098 -5.8483 -5.9802 PRESSURE: 2922400 28.7902 -25.8137 84.1525 -25.814 -45.5997 56.6572 84.1523 56.6568 -141.519 GPRESSURE: 2922400 85.4343 -82.1822 130.988 10.8387 -42.366 33.2541 40.0855 46.7362 -103.461 PRESSAVG: 2922400 36.6466 55.0804 -27.3218 55.0804 -10.0669 36.1597 -27.3218 36.1599 -48.8414 GPRESSAVG: 2922400 36.2048 53.9515 -29.2365 54.2173 -8.46897 36.5667 -26.4458 35.3973 -49.6613 TIMING: 2922400 CPU: 8711.55, 0.00294762/step Wall: 8711.55, 0.00294762/step, 1.70111 hours remaining, 206.937500 MB of memory in use. ENERGY: 2922400 746.0941 2116.9692 1931.5886 99.0717 -206008.6609 17641.8014 0.0000 0.0000 34245.5241 -149227.6117 299.0747 -183473.1358 -149135.4859 299.2540 -52.7763 -20.1310 557534.1097 -7.4206 -7.3085 PRESSURE: 2922600 72.1243 87.7912 -13.4638 87.7917 -13.1587 104.944 -13.465 104.942 -51.7935 GPRESSURE: 2922600 140.306 -25.8947 37.3655 55.3861 7.90912 26.376 37.3732 82.0088 -50.1623 PRESSAVG: 2922600 2.02096 28.9092 -25.6111 28.9092 18.3308 60.8552 -25.611 60.8554 -39.243 GPRESSAVG: 2922600 3.15015 30.3135 -27.5878 30.3646 16.1537 60.456 -23.7995 61.2519 -37.9357 TIMING: 2922600 CPU: 8712.14, 0.00296654/step Wall: 8712.14, 0.00296654/step, 1.71186 hours remaining, 206.937500 MB of memory in use. ENERGY: 2922600 719.6138 2040.3398 1935.4614 107.2047 -206093.6280 17746.2994 0.0000 0.0000 34210.2590 -149334.4498 298.7667 -183544.7087 -149242.5063 298.9556 2.3907 32.6844 556852.6154 -6.2971 -6.2106 PRESSURE: 2922800 107.231 10.485 -36.7547 10.4845 22.6498 77.217 -36.7564 77.2167 -96.8586 GPRESSURE: 2922800 151.198 -36.043 -73.4454 -36.0443 71.324 59.6001 -36.1645 105.46 -85.3865 PRESSAVG: 2922800 14.268 26.5359 -43.4572 26.5359 -4.19746 33.0052 -43.4572 33.0051 -51.4275 GPRESSAVG: 2922800 14.5742 25.8329 -41.8674 26.4204 -4.83169 33.196 -45.6793 33.0687 -51.2747 TIMING: 2922800 CPU: 8712.73, 0.00294248/step Wall: 8712.73, 0.00294248/step, 1.69781 hours remaining, 206.937500 MB of memory in use. ENERGY: 2922800 712.5416 2056.6246 1939.1603 122.6771 -206011.3963 17764.2294 0.0000 0.0000 34189.5724 -149226.5909 298.5860 -183416.1633 -149126.6187 298.4864 11.0075 45.7117 558042.2761 -13.7857 -13.8441 PRESSURE: 2923000 -91.2421 -85.7624 32.0061 -85.7627 -265.344 197.814 32.0059 197.812 -28.6802 GPRESSURE: 2923000 -40.7964 -36.9741 68.1593 -39.2811 -235.125 127.262 -72.4885 227.301 -2.84463 PRESSAVG: 2923000 57.7001 -11.5692 -71.9929 -11.5693 16.4185 22.4863 -71.9929 22.4862 -92.5796 GPRESSAVG: 2923000 57.9487 -13.2023 -70.701 -9.59634 17.3818 21.7479 -71.7156 22.304 -93.2016 TIMING: 2923000 CPU: 8713.32, 0.00296299/step Wall: 8713.32, 0.00296299/step, 1.70948 hours remaining, 206.937500 MB of memory in use. ENERGY: 2923000 716.7238 2119.6467 1928.7553 114.3452 -206012.6687 17698.1971 0.0000 0.0000 34179.5369 -149255.4637 298.4984 -183435.0006 -149158.0541 299.0279 -128.4220 -92.9220 559414.0672 -6.1537 -5.9570 PRESSURE: 2923200 -74.8758 -105.778 -23.3754 -105.778 -101.544 -99.658 -23.3742 -99.6585 -202.046 GPRESSURE: 2923200 -88.426 -101.981 -41.1778 -90.7727 -45.9786 -212.798 -60.7712 -112.591 -132.994 PRESSAVG: 2923200 14.8066 -0.356634 52.7571 -0.356672 30.2623 -1.23503 52.7572 -1.23497 -54.8145 GPRESSAVG: 2923200 13.3905 0.597533 52.2455 -2.00465 30.2737 -4.39063 53.1049 0.624885 -53.8152 TIMING: 2923200 CPU: 8713.91, 0.00294212/step Wall: 8713.91, 0.00294212/step, 1.69727 hours remaining, 206.937500 MB of memory in use. ENERGY: 2923200 760.1359 2162.7166 1966.0681 106.9707 -206278.3493 17788.1271 0.0000 0.0000 34286.2143 -149208.1166 299.4300 -183494.3309 -149108.3893 298.9069 -126.1554 -89.1328 557860.8768 -3.2485 -3.3836 PRESSURE: 2923400 -96.1295 28.0212 7.69808 28.0214 112.066 125.674 7.69749 125.673 114.588 GPRESSURE: 2923400 -74.7947 116.817 98.3342 30.3488 139.358 182.934 -78.2576 71.9994 170.912 PRESSAVG: 2923400 100.333 -44.0773 -75.0721 -44.0773 -15.4337 -35.0062 -75.0721 -35.0063 -28.1552 GPRESSAVG: 2923400 100.873 -43.6515 -74.8844 -43.6096 -15.3628 -31.4778 -75.0913 -35.5117 -28.8923 TIMING: 2923400 CPU: 8714.5, 0.00297061/step Wall: 8714.5, 0.00297061/step, 1.71355 hours remaining, 206.937500 MB of memory in use. ENERGY: 2923400 739.0885 2094.4056 1941.9274 129.0939 -205948.5862 17700.9478 0.0000 0.0000 34190.3768 -149152.7462 298.5931 -183343.1230 -149055.5100 299.9698 43.5082 78.4915 556485.8643 18.9147 18.8726 PRESSURE: 2923600 -69.5318 92.4041 -161.451 92.4035 -272.012 74.2474 -161.452 74.2493 -55.0724 GPRESSURE: 2923600 -47.2615 50.8594 -64.1861 77.6517 -250.486 158.712 -201.651 3.6338 1.42697 PRESSAVG: 2923600 -42.3788 -31.9902 -60.0346 -31.99 33.271 -42.0505 -60.0346 -42.0504 -4.52393 GPRESSAVG: 2923600 -42.1884 -28.5433 -58.9398 -32.6164 34.2092 -43.5604 -61.7491 -42.4671 -5.29888 TIMING: 2923600 CPU: 8715.09, 0.00295274/step Wall: 8715.09, 0.00295274/step, 1.70308 hours remaining, 206.937500 MB of memory in use. ENERGY: 2923600 734.6896 2115.0928 1923.5358 104.5129 -205575.5075 17394.2930 0.0000 0.0000 34200.9331 -149102.4502 298.6853 -183303.3833 -148998.9463 299.4460 -132.2055 -98.7735 558080.7328 -4.5439 -4.4260 PRESSURE: 2923800 -88.6307 30.7424 -282.545 30.7435 100.386 -91.8143 -282.546 -91.8139 -99.5266 GPRESSURE: 2923800 -33.9402 -8.20741 -270.702 28.576 103.3 -74.8168 -267.135 -45.1656 -64.9717 PRESSAVG: 2923800 -6.40328 -15.6318 -69.6606 -15.6318 -44.4808 3.87473 -69.6606 3.87475 4.38927 GPRESSAVG: 2923800 -5.46898 -17.5389 -70.7399 -14.2571 -45.28 4.65134 -67.2989 4.49566 4.4426 TIMING: 2923800 CPU: 8715.68, 0.00294132/step Wall: 8715.68, 0.00294132/step, 1.69632 hours remaining, 206.937500 MB of memory in use. ENERGY: 2923800 754.9696 2090.3753 1939.1836 107.3775 -206354.2555 17825.6001 0.0000 0.0000 34433.6284 -149203.1209 300.7174 -183636.7494 -149107.1584 299.1887 -29.2572 1.4626 556404.3164 -15.4983 -15.4354 PRESSURE: 2924000 139.504 129.451 18.4294 129.451 -143.3 -96.2607 18.4299 -96.2603 -115.195 GPRESSURE: 2924000 190.387 16.9828 16.9508 175.279 -191.05 -68.84 68.9175 -96.4879 -24.2308 PRESSAVG: 2924000 46.319 -36.7315 -43.6857 -36.7314 -7.48976 40.2555 -43.6856 40.2554 -9.08057 GPRESSAVG: 2924000 46.1793 -38.6723 -44.5765 -36.94 -7.7242 40.1845 -43.7451 41.3625 -8.60047 TIMING: 2924000 CPU: 8716.28, 0.00296586/step Wall: 8716.28, 0.00296586/step, 1.71031 hours remaining, 206.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2924000 727.2216 2110.9962 1914.2405 120.7959 -206036.4376 17717.3195 0.0000 0.0000 34167.0908 -149278.7732 298.3897 -183445.8639 -149180.5075 299.8432 -39.6639 -8.2977 556968.6830 9.9162 9.9515 PRESSURE: 2924200 216.984 146.899 -132.658 146.9 47.6436 -41.1077 -132.659 -41.1099 6.10768 GPRESSURE: 2924200 271.772 87.4564 -147.696 227.016 75.7976 -9.36837 -127.909 -58.1826 20.9349 PRESSAVG: 2924200 94.8063 -32.6078 16.5688 -32.6078 0.394982 21.2241 16.5689 21.2241 -104.932 GPRESSAVG: 2924200 94.3406 -31.9119 16.0745 -32.2833 0.484288 19.9768 15.069 22.2499 -105.035 TIMING: 2924200 CPU: 8716.87, 0.00294999/step Wall: 8716.87, 0.00294999/step, 1.701 hours remaining, 206.937500 MB of memory in use. ENERGY: 2924200 724.3383 2096.9219 1931.7874 113.7785 -206396.0914 17870.4836 0.0000 0.0000 34316.8856 -149341.8961 299.6979 -183658.7817 -149243.4655 298.4926 90.2450 122.8347 556240.7962 -3.2436 -3.4033 LDB: ============= START OF LOAD BALANCING ============== 8720.41 LDB: ============== END OF LOAD BALANCING =============== 8720.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8720.41 LDB: ============= START OF LOAD BALANCING ============== 8720.71 LDB: Largest compute 4773 load 0.028154 is 23.8% of average load 0.118233 LDB: Average compute 0.001735 is 1.5% of average load 0.118233 LDB: TIME 8720.71 LOAD: AVG 0.118233 MAX 0.200139 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 8720.71 LOAD: AVG 0.118233 MAX 0.200139 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.797 MB LDB: TIME 8720.71 LOAD: AVG 0.118233 MAX 0.200139 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.797 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8720.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8720.72 PRESSURE: 2924400 -193.157 164.115 33.7282 164.115 -364.4 -6.85282 33.7295 -6.85277 -188.754 GPRESSURE: 2924400 -186.306 150.338 -52.1731 169.103 -321.53 -37.4291 -33.3355 -28.8449 -141.844 PRESSAVG: 2924400 91.6892 3.10721 89.2869 3.10725 47.5814 44.8606 89.2869 44.8608 -60.9431 GPRESSAVG: 2924400 90.5637 3.78188 90.3869 1.63193 47.4422 44.9074 88.4406 43.9106 -60.0323 TIMING: 2924400 CPU: 8717.47, 0.00300976/step Wall: 8717.47, 0.00300976/step, 1.7353 hours remaining, 208.015625 MB of memory in use. ENERGY: 2924400 750.3452 2118.1936 1934.5457 121.7470 -205998.9934 17543.2555 0.0000 0.0000 34103.3694 -149427.5369 297.8332 -183530.9063 -149330.5898 298.8111 -248.7704 -216.5601 557641.7955 26.1091 25.9912 PRESSURE: 2924600 -175.789 79.7108 -83.6776 79.7122 -355.795 86.881 -83.6775 86.8818 -230.263 GPRESSURE: 2924600 -174.169 70.4696 -33.2272 84.5193 -304.236 100.284 -117.048 58.3978 -180.985 PRESSAVG: 2924600 -24.1788 71.1651 9.26051 71.1651 -52.8419 -26.6305 9.26053 -26.6305 68.1751 GPRESSAVG: 2924600 -23.9574 71.1753 8.25573 70.4348 -51.8073 -26.0374 12.2993 -27.2802 66.9494 TIMING: 2924600 CPU: 8718.05, 0.00292697/step Wall: 8718.05, 0.00292697/step, 1.6874 hours remaining, 208.214844 MB of memory in use. ENERGY: 2924600 721.5316 2109.2150 1925.4334 113.9054 -205710.2633 17320.8497 0.0000 0.0000 34155.5736 -149363.7548 298.2891 -183519.3284 -149270.0167 297.9351 -253.9493 -219.7967 558275.7613 -2.9486 -2.9385 PRESSURE: 2924800 44.1094 166.368 33.1218 166.369 -162.744 9.02655 33.1216 9.02608 -48.0193 GPRESSURE: 2924800 118.359 84.7815 39.1946 111.654 -117.165 -14.6636 -48.8832 23.0512 -65.2521 PRESSAVG: 2924800 -11.2827 35.925 -1.96939 35.925 -18.7275 -35.3541 -1.96947 -35.3541 19.0372 GPRESSAVG: 2924800 -9.2816 37.8075 0.359173 35.5463 -20.0947 -34.9087 -5.88381 -34.993 18.8876 TIMING: 2924800 CPU: 8718.64, 0.00294848/step Wall: 8718.64, 0.00294848/step, 1.69964 hours remaining, 208.339844 MB of memory in use. ENERGY: 2924800 753.4304 2113.2122 1945.9318 104.5150 -206143.1299 17825.4862 0.0000 0.0000 34182.8339 -149217.7203 298.5272 -183400.5542 -149119.9934 298.4820 -55.5512 -21.3526 557722.9956 -3.6577 -3.4962 PRESSURE: 2925000 -98.6549 64.7458 -14.0369 64.7471 53.7855 17.4045 -14.0369 17.4036 -24.7114 GPRESSURE: 2925000 -57.777 57.4145 -41.1208 24.0754 67.5631 -4.5729 -47.7573 -55.6891 15.3651 PRESSAVG: 2925000 37.8489 2.66421 -8.55417 2.66419 -53.8144 29.5915 -8.55417 29.5915 36.122 GPRESSAVG: 2925000 38.0251 1.81002 -9.38682 4.18355 -53.6553 29.3969 -7.7284 27.5057 36.4061 TIMING: 2925000 CPU: 8719.24, 0.00298561/step Wall: 8719.24, 0.00298561/step, 1.72087 hours remaining, 208.339844 MB of memory in use. ENERGY: 2925000 756.8808 2165.4844 1942.1013 99.7162 -206324.7590 17859.1174 0.0000 0.0000 34213.4144 -149288.0445 298.7943 -183501.4590 -149193.2076 299.4468 -23.1936 8.3837 558609.0014 6.7188 6.9253 PRESSURE: 2925200 79.5507 -7.3839 -51.5873 -7.38492 151.202 91.3636 -51.5881 91.364 -89.9415 GPRESSURE: 2925200 163.374 76.9165 -43.9851 -50.4851 149.446 36.6605 -20.2969 66.9377 -75.1629 PRESSAVG: 2925200 11.2461 15.0458 -59.7165 15.0458 8.04209 15.042 -59.7165 15.0421 -52.3605 GPRESSAVG: 2925200 11.2314 15.6698 -61.3874 14.7642 8.81173 15.4438 -57.0841 15.9298 -52.8606 TIMING: 2925200 CPU: 8719.83, 0.00297506/step Wall: 8719.83, 0.00297506/step, 1.71463 hours remaining, 208.339844 MB of memory in use. ENERGY: 2925200 724.5268 2096.0061 1943.4436 110.2349 -206423.9325 17996.4403 0.0000 0.0000 34246.6296 -149306.6512 299.0843 -183553.2808 -149208.5885 298.8513 46.9371 79.2192 558687.6136 -11.0241 -10.9392 PRESSURE: 2925400 -148.853 -10.1498 -253.474 -10.1492 -6.32732 -63.1604 -253.474 -63.1602 -96.2185 GPRESSURE: 2925400 -91.7422 12.3975 -261.863 -13.3768 26.8695 -8.73589 -256.897 -51.7881 -88.6303 PRESSAVG: 2925400 -0.537786 -31.5953 -26.2144 -31.5952 0.749751 -22.1072 -26.2143 -22.1073 -69.1414 GPRESSAVG: 2925400 -0.177992 -33.8395 -25.5501 -30.7735 -0.786254 -22.0558 -26.934 -22.1656 -67.4199 TIMING: 2925400 CPU: 8720.43, 0.00299354/step Wall: 8720.43, 0.00299354/step, 1.72511 hours remaining, 208.339844 MB of memory in use. ENERGY: 2925400 749.7071 2158.9005 1915.0384 123.6969 -206207.2749 17735.5308 0.0000 0.0000 34275.9600 -149248.4411 299.3405 -183524.4011 -149161.1653 298.5140 -83.7997 -51.1677 557948.8001 -22.9765 -22.7947 PRESSURE: 2925600 -34.8573 35.8786 -72.7276 35.8772 -171.87 11.0064 -72.7278 11.0059 64.6259 GPRESSURE: 2925600 -0.0114722 21.001 -151.515 71.4767 -74.4251 -6.20272 -144.112 8.09623 42.1237 PRESSAVG: 2925600 -80.7164 39.41 -43.0981 39.4099 4.52833 -1.35777 -43.0981 -1.35785 55.6004 GPRESSAVG: 2925600 -81.0486 40.3167 -41.9424 42.0632 5.07149 -2.05431 -43.7915 0.564882 55.0819 TIMING: 2925600 CPU: 8721.04, 0.00301614/step Wall: 8721.04, 0.00301614/step, 1.73796 hours remaining, 208.339844 MB of memory in use. ENERGY: 2925600 730.9406 2080.0955 1954.2337 112.2976 -206471.3552 17897.1801 0.0000 0.0000 34407.8750 -149288.7326 300.4925 -183696.6076 -149191.0922 298.4835 -47.3670 -10.7709 558228.3828 -6.8625 -6.9651 PRESSURE: 2925800 -42.9993 -139.937 35.1675 -139.937 28.9962 51.7608 35.1674 51.761 -177.595 GPRESSURE: 2925800 25.2126 -74.2135 13.8953 -194.115 10.9191 55.6054 26.6191 -21.9395 -132.516 PRESSAVG: 2925800 -9.69385 -25.6461 -67.0126 -25.646 -29.787 -12.383 -67.0126 -12.3831 -27.0266 GPRESSAVG: 2925800 -10.4803 -26.022 -67.6755 -27.15 -29.0489 -9.82811 -66.561 -15.1805 -27.5541 TIMING: 2925800 CPU: 8721.64, 0.00302773/step Wall: 8721.64, 0.00302773/step, 1.74448 hours remaining, 208.339844 MB of memory in use. ENERGY: 2925800 751.7951 2164.8833 1913.3028 119.2069 -205913.6897 17647.5576 0.0000 0.0000 34029.6122 -149287.3318 297.1891 -183316.9440 -149189.4761 298.5291 -63.8662 -32.1280 557577.5325 -22.1692 -22.3611 PRESSURE: 2926000 217.126 15.2565 -256.771 15.2561 177.068 162.915 -256.77 162.915 173.591 GPRESSURE: 2926000 279.364 52.7388 -211.261 -39.2536 190.388 180.51 -296.301 136.058 187.696 PRESSAVG: 2926000 1.29882 27.0647 -74.4278 27.0647 -75.5259 -1.73488 -74.4278 -1.73496 19.5328 GPRESSAVG: 2926000 1.30348 27.0615 -73.5703 26.4858 -74.6394 -3.03658 -73.8053 -0.622057 18.6915 TIMING: 2926000 CPU: 8722.25, 0.00304133/step Wall: 8722.25, 0.00304133/step, 1.75214 hours remaining, 208.339844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2926000 731.3353 2105.1400 1962.7872 100.0441 -206934.8315 18330.9437 0.0000 0.0000 34289.7861 -149414.7951 299.4612 -183704.5811 -149313.0527 298.5953 189.2618 219.1493 557746.7724 -18.2314 -18.2148 PRESSURE: 2926200 149.989 87.3025 75.1143 87.3034 95.6089 -86.9857 75.114 -86.9842 -89.112 GPRESSURE: 2926200 173.305 101.612 -73.8035 83.3768 127.968 -86.4009 131.108 -94.3035 -38.0535 PRESSAVG: 2926200 85.3275 49.5287 -7.55753 49.5287 -27.6166 23.7858 -7.55748 23.7858 15.2297 GPRESSAVG: 2926200 86.8476 48.1148 -8.84919 48.0743 -29.1351 24.0991 -7.16402 21.9274 15.777 TIMING: 2926200 CPU: 8722.84, 0.0029654/step Wall: 8722.84, 0.0029654/step, 1.70824 hours remaining, 208.339844 MB of memory in use. ENERGY: 2926200 757.5197 2045.3361 1947.6410 117.2969 -206672.6922 18096.9677 0.0000 0.0000 34540.2197 -149167.7112 301.6483 -183707.9309 -149066.3019 299.0810 52.1620 87.7399 558177.5655 24.3136 24.4965 PRESSURE: 2926400 -95.1006 76.9932 -3.32118 76.9948 -39.6537 -114.176 -3.32073 -114.178 56.1452 GPRESSURE: 2926400 9.9801 56.6414 -45.5163 26.0098 3.74119 -121.023 31.7284 -60.6488 18.4377 PRESSAVG: 2926400 36.5052 33.1913 -8.67168 33.1912 -20.7673 -26.2781 -8.67173 -26.2783 -43.4722 GPRESSAVG: 2926400 36.0654 34.6807 -8.65829 33.1933 -20.1945 -28.022 -8.50688 -22.637 -43.4464 TIMING: 2926400 CPU: 8723.43, 0.00295549/step Wall: 8723.43, 0.00295549/step, 1.70236 hours remaining, 208.339844 MB of memory in use. ENERGY: 2926400 792.5261 2059.4813 1956.6620 107.8690 -206068.2928 17788.3708 0.0000 0.0000 34198.5415 -149164.8422 298.6644 -183363.3837 -149070.3269 299.2667 -26.2030 10.7197 557728.8314 -9.2447 -9.1918 PRESSURE: 2926600 -64.1342 3.2639 46.0041 3.26342 58.4552 79.1192 46.0048 79.1177 -85.5733 GPRESSURE: 2926600 19.6072 52.7384 83.595 -31.4666 116.368 99.8024 34.4495 91.9222 -118.393 PRESSAVG: 2926600 -21.4792 -28.5686 -47.2113 -28.5685 28.4358 -60.7946 -47.2113 -60.7947 6.41172 GPRESSAVG: 2926600 -21.6205 -29.9712 -48.2215 -26.3644 28.3093 -59.6578 -46.8838 -61.0353 6.77165 TIMING: 2926600 CPU: 8724.02, 0.00295253/step Wall: 8724.02, 0.00295253/step, 1.70049 hours remaining, 208.339844 MB of memory in use. ENERGY: 2926600 765.3338 2121.7247 1942.3640 111.8087 -206118.4575 17785.5258 0.0000 0.0000 34134.6477 -149257.0528 298.1064 -183391.7005 -149159.7904 299.5562 -30.4174 5.8606 556674.6042 4.4561 4.4868 PRESSURE: 2926800 -57.0025 38.3489 71.3989 38.3481 72.7694 -18.7528 71.3989 -18.7526 -134.339 GPRESSURE: 2926800 -7.24458 116.21 93.8861 -71.1187 103.731 -60.2772 107.401 57.8651 -116.356 PRESSAVG: 2926800 34.4348 -69.4649 -38.8658 -69.465 19.8802 -10.485 -38.8658 -10.4851 -53.7175 GPRESSAVG: 2926800 33.9531 -68.1861 -37.0576 -72.0425 20.1146 -9.46336 -41.3213 -11.6968 -53.9629 TIMING: 2926800 CPU: 8724.62, 0.00298727/step Wall: 8724.62, 0.00298727/step, 1.72033 hours remaining, 208.339844 MB of memory in use. ENERGY: 2926800 747.4860 2095.9738 1940.0226 101.8358 -205894.6393 17586.9564 0.0000 0.0000 34187.9634 -149234.4012 298.5720 -183422.3646 -149136.3519 299.4223 -39.5240 -6.6232 558143.0790 0.1991 0.0350 PRESSURE: 2927000 155.702 -23.63 2.5478 -23.6303 276.914 -94.6585 2.54778 -94.6598 -85.8971 GPRESSURE: 2927000 138.015 -64.4455 -10.2861 41.7122 338.126 -49.3909 -109.217 -65.4338 -25.7745 PRESSAVG: 2927000 18.0251 -7.11793 -26.2075 -7.11792 33.0062 12.9187 -26.2074 12.9187 -21.2629 GPRESSAVG: 2927000 17.9609 -9.68456 -26.8768 -3.68871 33.5954 12.9946 -24.3649 13.6941 -21.4163 TIMING: 2927000 CPU: 8725.22, 0.0029653/step Wall: 8725.22, 0.0029653/step, 1.70752 hours remaining, 208.339844 MB of memory in use. ENERGY: 2927000 705.7696 2093.3056 1930.9701 110.2588 -206171.5466 17891.6446 0.0000 0.0000 34317.1368 -149122.4610 299.7001 -183439.5978 -149019.4189 298.9751 115.5730 150.1221 557252.4010 9.9228 10.0467 PRESSURE: 2927200 210.791 -125.543 -97.4747 -125.542 163.193 103.086 -97.4746 103.086 334.144 GPRESSURE: 2927200 209.407 -112.704 -78.9951 -47.5439 185.245 168.753 -103.902 -45.802 407.455 PRESSAVG: 2927200 16.7667 22.9515 -53.9874 22.9514 -8.47286 -21.6682 -53.9874 -21.6682 1.20152 GPRESSAVG: 2927200 18.0536 24.9538 -53.5403 21.1509 -10.1054 -22.8311 -54.774 -23.1428 1.38733 TIMING: 2927200 CPU: 8725.81, 0.00296153/step Wall: 8725.81, 0.00296153/step, 1.70518 hours remaining, 208.339844 MB of memory in use. ENERGY: 2927200 722.8763 2071.2430 1958.3004 106.7716 -206260.2690 18066.5673 0.0000 0.0000 34178.2885 -149156.2219 298.4875 -183334.5104 -149059.6686 299.7588 236.0425 267.3688 557611.5860 3.1651 3.1119 PRESSURE: 2927400 182.015 10.2094 -163.84 10.2103 -61.588 -194.672 -163.84 -194.673 243.77 GPRESSURE: 2927400 175.456 -98.1291 -69.7163 24.9225 15.3463 -57.6058 -147.463 -199.603 277.629 PRESSAVG: 2927400 -25.0626 16.7493 -68.0216 16.7494 2.54864 -28.1293 -68.0216 -28.1292 54.5768 GPRESSAVG: 2927400 -26.4076 16.1995 -68.5915 17.0275 3.48079 -28.323 -67.1199 -27.9033 54.2119 TIMING: 2927400 CPU: 8726.4, 0.00293749/step Wall: 8726.4, 0.00293749/step, 1.69118 hours remaining, 208.339844 MB of memory in use. ENERGY: 2927400 725.0419 2090.9944 1977.3265 113.3282 -206088.8695 17889.3208 0.0000 0.0000 34312.2513 -148980.6064 299.6574 -183292.8578 -148886.2400 299.7698 121.3991 156.1437 557175.5208 10.6876 10.4284 PRESSURE: 2927600 -101.537 18.2887 208.337 18.29 -103.028 136.993 208.337 136.994 31.9768 GPRESSURE: 2927600 -86.7457 53.8434 207.688 -10.1017 -97.3196 91.1379 144.506 30.5062 120.551 PRESSAVG: 2927600 -31.8267 37.3211 -13.6172 37.3213 -1.76454 -47.7062 -13.6172 -47.7062 -10.2642 GPRESSAVG: 2927600 -31.7819 37.847 -15.4539 35.9263 -1.22254 -48.1639 -14.4318 -47.105 -10.9773 TIMING: 2927600 CPU: 8726.98, 0.0029398/step Wall: 8726.98, 0.0029398/step, 1.69234 hours remaining, 208.406250 MB of memory in use. ENERGY: 2927600 771.5025 2131.9206 1940.1801 119.6137 -205823.4979 17730.2099 0.0000 0.0000 34169.4353 -148960.6358 298.4102 -183130.0711 -148865.0023 299.6114 -57.5291 -21.1715 558246.0365 -14.6185 -14.6606 PRESSURE: 2927800 101.812 50.7885 -87.8717 50.7891 21.8855 118.383 -87.8719 118.384 -22.7327 GPRESSURE: 2927800 159.02 78.1894 -94.4317 75.1791 3.41924 63.6989 -74.0365 99.1509 31.8904 PRESSAVG: 2927800 -53.301 19.4965 8.72578 19.4965 34.1505 -17.7743 8.72574 -17.7743 -6.1041 GPRESSAVG: 2927800 -53.0399 20.3469 10.8756 19.0509 33.9793 -18.6123 8.90252 -17.5414 -6.08905 TIMING: 2927800 CPU: 8727.57, 0.00295648/step Wall: 8727.57, 0.00295648/step, 1.70178 hours remaining, 208.406250 MB of memory in use. ENERGY: 2927800 746.1774 2064.0577 1956.6345 101.3927 -206252.6203 17906.7032 0.0000 0.0000 34408.0228 -149069.6319 300.4938 -183477.6547 -148968.6180 299.4329 33.6550 64.7766 558352.2009 -8.4182 -8.3832 PRESSURE: 2928000 -306.233 85.3694 -70.4586 85.3687 195.495 -171.222 -70.4602 -171.222 -151.3 GPRESSURE: 2928000 -291.361 -4.7711 -34.3152 86.143 205.764 -128.421 -167.927 -247.639 -78.5197 PRESSAVG: 2928000 -17.2674 -21.0098 -23.9862 -21.0097 45.7264 -60.0521 -23.9862 -60.0521 -47.2973 GPRESSAVG: 2928000 -16.4284 -22.5905 -25.3607 -18.0878 45.1584 -58.8021 -24.413 -60.815 -47.3413 TIMING: 2928000 CPU: 8728.17, 0.0029552/step Wall: 8728.17, 0.0029552/step, 1.70088 hours remaining, 208.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2928000 768.1012 2081.0866 1965.3470 105.9067 -206251.6637 17814.7260 0.0000 0.0000 34278.2788 -149238.2175 299.3607 -183516.4963 -149140.0769 299.3124 -87.3461 -54.7056 558584.8332 -6.2794 -6.2037 PRESSURE: 2928200 1.49018 -25.9183 -127.655 -25.9187 146.139 -124.7 -127.655 -124.699 -114.4 GPRESSURE: 2928200 48.009 45.3084 -101.286 -57.2118 160.925 -88.4389 -130.648 -160.363 -79.2456 PRESSAVG: 2928200 -34.5073 18.6138 -17.151 18.6138 67.4957 -19.5516 -17.151 -19.5517 -41.0366 GPRESSAVG: 2928200 -35.0032 20.0362 -16.9106 17.0393 68.5488 -21.7323 -16.9318 -17.7438 -41.1472 TIMING: 2928200 CPU: 8728.75, 0.00294029/step Wall: 8728.75, 0.00294029/step, 1.69214 hours remaining, 208.406250 MB of memory in use. ENERGY: 2928200 767.3703 2102.4966 1935.4337 119.3235 -206239.5831 17887.1961 0.0000 0.0000 34184.1068 -149243.6561 298.5383 -183427.7629 -149145.5025 298.7163 11.0763 43.2293 557677.5283 -2.6827 -2.5339 LDB: ============= START OF LOAD BALANCING ============== 8732.3 LDB: ============== END OF LOAD BALANCING =============== 8732.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8732.3 LDB: ============= START OF LOAD BALANCING ============== 8732.59 LDB: Largest compute 4773 load 0.029356 is 24.8% of average load 0.118306 LDB: Average compute 0.001740 is 1.5% of average load 0.118306 LDB: TIME 8732.6 LOAD: AVG 0.118306 MAX 0.203431 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 8732.6 LOAD: AVG 0.118306 MAX 0.203431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 8732.6 LOAD: AVG 0.118306 MAX 0.203431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8732.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8732.6 PRESSURE: 2928400 247.348 31.5405 -17.0643 31.5398 -243.276 -109.879 -17.0646 -109.879 -94.7624 GPRESSURE: 2928400 260.661 9.48936 83.5813 13.1311 -206.895 -125.914 -28.3554 -42.8253 -64.2307 PRESSAVG: 2928400 -75.4246 40.2129 50.6601 40.213 50.0101 -30.6562 50.6603 -30.6562 12.8954 GPRESSAVG: 2928400 -74.9423 38.8745 50.9176 41.1764 49.903 -29.8359 51.3797 -30.6197 12.982 TIMING: 2928400 CPU: 8729.35, 0.00300102/step Wall: 8729.35, 0.00300102/step, 1.72692 hours remaining, 206.222656 MB of memory in use. ENERGY: 2928400 753.1045 2074.2226 1970.1847 104.5869 -206253.3168 17726.1246 0.0000 0.0000 34263.1100 -149361.9835 299.2283 -183625.0935 -149266.7296 299.0240 -30.2302 -3.4883 556457.6127 -4.1730 -4.0191 PRESSURE: 2928600 90.4316 50.5096 51.4391 50.509 80.6793 -162.969 51.4392 -162.971 -40.6547 GPRESSURE: 2928600 117.353 30.6228 38.4805 71.8484 117.673 -101.307 119.979 -154.082 -0.501618 PRESSAVG: 2928600 19.5456 -11.329 -70.0128 -11.329 -4.00465 -37.3217 -70.0129 -37.3217 -5.19802 GPRESSAVG: 2928600 19.6715 -11.3905 -70.7903 -10.307 -4.90723 -35.3177 -69.6262 -38.6644 -4.75976 TIMING: 2928600 CPU: 8729.95, 0.00296558/step Wall: 8729.95, 0.00296558/step, 1.70636 hours remaining, 206.222656 MB of memory in use. ENERGY: 2928600 738.2369 2088.6317 1930.3172 118.4852 -206422.6974 17812.3546 0.0000 0.0000 34336.6747 -149397.9971 299.8707 -183734.6718 -149302.9969 299.2855 43.4854 78.1745 556013.0775 3.4476 3.3349 PRESSURE: 2928800 -41.0963 69.8179 99.2574 69.8186 -90.5989 45.6597 99.2569 45.6618 -1.75685 GPRESSURE: 2928800 11.334 70.5246 121.14 99.6381 -89.933 52.9821 -18.3261 13.4016 29.6755 PRESSAVG: 2928800 0.0750877 3.42194 8.0315 3.4219 -4.95724 -36.2324 8.03139 -36.2323 -8.02426 GPRESSAVG: 2928800 -0.837692 2.74842 9.1414 2.34171 -4.56125 -38.2014 6.97221 -35.6967 -8.27141 TIMING: 2928800 CPU: 8730.54, 0.00294815/step Wall: 8730.54, 0.00294815/step, 1.69617 hours remaining, 206.222656 MB of memory in use. ENERGY: 2928800 723.3596 2080.5111 1946.7582 117.8713 -206235.8841 17836.0432 0.0000 0.0000 34309.9225 -149221.4182 299.6371 -183531.3407 -149124.7908 299.0392 -44.4840 -16.3079 558357.0240 -4.3021 -4.5568 PRESSURE: 2929000 -294.445 110.913 -149.862 110.912 -342.221 5.39743 -149.86 5.39681 61.0727 GPRESSURE: 2929000 -254.604 81.809 -123.3 46.1733 -319.205 11.5802 -120.639 -29.3247 95.5522 PRESSAVG: 2929000 -0.589411 29.2516 2.61595 29.2515 13.9967 17.6471 2.61597 17.6471 19.226 GPRESSAVG: 2929000 0.437433 29.1208 2.37597 28.7634 13.6764 18.8261 0.984415 16.7831 18.7483 TIMING: 2929000 CPU: 8731.12, 0.0029335/step Wall: 8731.12, 0.0029335/step, 1.68758 hours remaining, 206.222656 MB of memory in use. ENERGY: 2929000 763.5738 2133.4170 1930.7589 115.3641 -205614.4295 17401.4334 0.0000 0.0000 34035.3289 -149234.5534 297.2390 -183269.8823 -149142.2623 299.2810 -191.8643 -159.4187 556317.0707 10.8778 10.9540 PRESSURE: 2929200 -140.076 19.3899 -41.6604 19.3901 -117.416 18.6767 -41.6591 18.6754 -302.716 GPRESSURE: 2929200 -142.733 39.2186 -129.218 5.24688 -80.0021 -22.5505 -121.222 77.4019 -252.282 PRESSAVG: 2929200 -81.7837 -3.19924 49.3734 -3.19927 113.716 -2.92037 49.3735 -2.92031 -1.86081 GPRESSAVG: 2929200 -83.2314 -1.30494 45.3306 -1.63485 114.909 -4.19493 52.8564 -2.08694 -1.10649 TIMING: 2929200 CPU: 8731.72, 0.002978/step Wall: 8731.72, 0.002978/step, 1.71301 hours remaining, 206.257812 MB of memory in use. ENERGY: 2929200 753.3980 2084.3732 1950.2915 119.0867 -205624.8958 17397.2315 0.0000 0.0000 34039.1511 -149281.3637 297.2724 -183320.5148 -149181.7329 299.0051 -186.7358 -158.3389 556220.6559 10.0239 10.1903 PRESSURE: 2929400 -354.075 -142.244 -37.2725 -142.245 -50.0125 39.2554 -37.2726 39.2567 -71.6298 GPRESSURE: 2929400 -309.496 -169.335 -139.144 -158.714 9.86337 105.84 -6.90469 32.4796 -82.3552 PRESSAVG: 2929400 8.15596 -35.0364 18.554 -35.0365 8.8043 -31.8083 18.554 -31.8083 -2.95396 GPRESSAVG: 2929400 9.17977 -36.8411 21.2071 -37.9953 8.42684 -30.2173 18.0644 -33.2358 -3.57059 TIMING: 2929400 CPU: 8732.32, 0.00299176/step Wall: 8732.32, 0.00299176/step, 1.72076 hours remaining, 206.257812 MB of memory in use. ENERGY: 2929400 727.6809 2168.1030 1916.9197 110.0645 -206110.3927 17670.2019 0.0000 0.0000 34277.8451 -149239.5776 299.3569 -183517.4228 -149141.0740 298.7821 -158.5723 -127.3294 557290.8445 4.6688 4.6787 PRESSURE: 2929600 113.608 81.1568 -86.2827 81.1569 9.82048 -103.076 -86.2828 -103.077 20.1941 GPRESSURE: 2929600 148.387 54.1671 -143.325 108.623 68.6289 -36.1051 -38.9645 -179.626 20.8386 PRESSAVG: 2929600 -37.8564 -24.5214 26.4594 -24.5215 55.9731 -14.7789 26.4595 -14.7789 -21.0226 GPRESSAVG: 2929600 -37.0669 -25.7328 30.1108 -22.3639 54.1229 -16.185 25.1018 -12.3025 -20.3589 TIMING: 2929600 CPU: 8732.92, 0.00299936/step Wall: 8732.92, 0.00299936/step, 1.72496 hours remaining, 206.257812 MB of memory in use. ENERGY: 2929600 783.2673 2054.4435 1949.5934 99.3667 -206031.4996 17872.5283 0.0000 0.0000 34209.6622 -149062.6384 298.7615 -183272.3005 -148964.2971 299.5737 47.8742 79.2850 556859.7436 -0.9686 -1.1010 PRESSURE: 2929800 -122.923 -75.8857 12.2253 -75.8855 -204.733 48.9741 12.226 48.9735 -63.0064 GPRESSURE: 2929800 -119.942 -26.3785 12.2462 -143.61 -146.175 63.2948 29.9994 -16.0671 -31.6379 PRESSAVG: 2929800 28.8304 -53.3475 15.3526 -53.3474 11.1349 -21.9604 15.3526 -21.9603 -32.3348 GPRESSAVG: 2929800 27.2734 -49.4278 14.4351 -56.0817 11.9014 -21.7816 15.5086 -23.1684 -31.9163 TIMING: 2929800 CPU: 8733.52, 0.00299907/step Wall: 8733.52, 0.00299907/step, 1.72463 hours remaining, 206.257812 MB of memory in use. ENERGY: 2929800 755.9351 2161.0026 1941.2350 125.8507 -205804.3358 17642.4664 0.0000 0.0000 34192.0657 -148985.7804 298.6078 -183177.8461 -148883.4256 300.2702 -130.2208 -99.2516 557613.7811 2.5435 2.4195 PRESSURE: 2930000 3.10409 -176.964 32.0426 -176.962 36.4737 -0.525751 32.0418 -0.527219 -155.67 GPRESSURE: 2930000 15.0137 -73.273 100.422 -210.285 111.237 -3.63084 -8.84653 24.2745 -141.317 PRESSAVG: 2930000 15.6073 -26.6992 50.182 -26.6992 -26.2748 10.7032 50.1819 10.7033 26.3409 GPRESSAVG: 2930000 16.8174 -29.4886 48 -23.1755 -26.2461 9.83344 52.0157 9.24403 24.9883 TIMING: 2930000 CPU: 8734.11, 0.00296575/step Wall: 8734.11, 0.00296575/step, 1.70531 hours remaining, 206.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2930000 767.9657 2032.4861 1961.9157 120.3370 -206316.7441 17794.8243 0.0000 0.0000 34441.2146 -149198.0007 300.7837 -183639.2153 -149094.8866 299.2850 -38.6975 -5.0221 555519.8206 5.2245 5.1865 PRESSURE: 2930200 90.9245 -50.7295 -74.4827 -50.7282 131.008 -54.6317 -74.4831 -54.6325 -163.146 GPRESSURE: 2930200 79.3096 -107.766 -30.9989 -52.7042 216.969 6.45809 -50.8103 -149.821 -124.975 PRESSAVG: 2930200 46.5445 24.3448 -34.2721 24.3449 13.4024 -13.5891 -34.2721 -13.5891 -86.3327 GPRESSAVG: 2930200 45.8437 24.5983 -31.4468 23.3964 13.0896 -14.5397 -37.7621 -12.2586 -85.6414 TIMING: 2930200 CPU: 8734.7, 0.00295926/step Wall: 8734.7, 0.00295926/step, 1.70141 hours remaining, 206.257812 MB of memory in use. ENERGY: 2930200 717.4209 2157.4142 1948.9229 111.5916 -206017.4289 17605.4468 0.0000 0.0000 34232.1201 -149244.5123 298.9576 -183476.6324 -149149.0148 299.3727 19.5955 57.1012 555649.2341 -8.7952 -8.9027 PRESSURE: 2930400 -57.8001 -22.3573 -17.1291 -22.3577 -330.872 -182.721 -17.1288 -182.721 -168.935 GPRESSURE: 2930400 -66.9161 38.4406 18.2197 -49.7002 -280.997 -137.396 -139.633 -272.979 -118.101 PRESSAVG: 2930400 -30.2452 -37.1278 -37.0606 -37.1278 33.2503 -31.6081 -37.0606 -31.6081 10.4353 GPRESSAVG: 2930400 -29.4597 -36.8064 -38.922 -37.9774 32.8771 -30.6894 -33.6629 -32.1132 9.71588 TIMING: 2930400 CPU: 8735.29, 0.00293505/step Wall: 8735.29, 0.00293505/step, 1.68733 hours remaining, 206.257812 MB of memory in use. ENERGY: 2930400 763.0880 2110.2582 1932.0520 119.7528 -205775.4039 17606.2732 0.0000 0.0000 34128.4775 -149115.5023 298.0525 -183243.9798 -149023.9385 298.7483 -185.8692 -155.3382 556678.3151 4.4801 4.3778 PRESSURE: 2930600 199.618 120.818 135.957 120.817 -178.78 -171.536 135.957 -171.534 77.9947 GPRESSURE: 2930600 244.037 128.55 108.503 100.544 -161.491 -142.866 116.035 -113.103 132.454 PRESSAVG: 2930600 -42.9855 -49.8686 45.1458 -49.8686 -17.887 -28.2008 45.1458 -28.201 71.9719 GPRESSAVG: 2930600 -43.9028 -48.1001 45.4507 -49.323 -18.5607 -29.9464 43.3514 -26.4181 73.2813 TIMING: 2930600 CPU: 8735.87, 0.00292384/step Wall: 8735.87, 0.00292384/step, 1.68072 hours remaining, 206.257812 MB of memory in use. ENERGY: 2930600 717.8840 2109.0724 1947.8563 115.4622 -206225.9256 17782.4446 0.0000 0.0000 34317.7111 -149235.4949 299.7051 -183553.2061 -149140.2747 299.3071 32.9443 71.6663 556668.3719 3.6998 3.6059 PRESSURE: 2930800 37.6056 16.377 83.7617 16.3768 12.5869 -106.422 83.7616 -106.423 -137.094 GPRESSURE: 2930800 63.1584 -4.65502 24.7577 27.1241 -11.5438 -87.9002 101.769 -92.9769 -58.972 PRESSAVG: 2930800 82.7647 15.0002 50.6265 15.0002 -66.0034 -71.2225 50.6265 -71.2223 -11.6428 GPRESSAVG: 2930800 83.0097 11.2869 49.2042 15.4049 -65.3743 -69.7867 53.2356 -71.5642 -12.6599 TIMING: 2930800 CPU: 8736.46, 0.002947/step Wall: 8736.46, 0.002947/step, 1.69387 hours remaining, 206.257812 MB of memory in use. ENERGY: 2930800 700.6509 2125.6555 1929.8431 109.6189 -206458.6324 17778.3729 0.0000 0.0000 34363.4542 -149451.0370 300.1046 -183814.4912 -149356.1954 299.4146 -28.9672 -2.4525 557008.9202 1.7062 1.6585 PRESSURE: 2931000 81.8656 -113.399 220.015 -113.399 97.4001 121.794 220.015 121.794 75.3687 GPRESSURE: 2931000 77.5321 -117.206 141.428 -42.453 190.959 195.91 111.526 90.8691 82.0398 PRESSAVG: 2931000 5.807 -0.701636 18.5805 -0.701639 -3.53626 20.3845 18.5805 20.3845 22.2719 GPRESSAVG: 2931000 4.67111 1.59814 18.7484 -0.607516 -3.22819 22.1066 15.8633 19.7559 22.9207 TIMING: 2931000 CPU: 8737.06, 0.00297175/step Wall: 8737.06, 0.00297175/step, 1.70793 hours remaining, 206.257812 MB of memory in use. ENERGY: 2931000 721.9825 2086.0500 1929.6614 108.9768 -206327.4701 17893.3504 0.0000 0.0000 34107.2355 -149480.2136 297.8670 -183587.4490 -149385.7450 298.9603 84.8781 116.8437 556897.2000 8.1809 8.1212 PRESSURE: 2931200 -343.191 -100.664 -183.65 -100.665 65.1808 182.273 -183.65 182.274 65.9023 GPRESSURE: 2931200 -301.179 -25.7652 -227.576 -102.427 110.039 205.471 -206.276 165.306 79.6551 PRESSAVG: 2931200 -26.8755 -24.3191 33.8046 -24.319 52.163 41.5986 33.8047 41.5986 5.39288 GPRESSAVG: 2931200 -26.7657 -24.0983 34.5716 -25.0952 51.4478 38.8643 34.1726 41.5163 5.43252 TIMING: 2931200 CPU: 8737.65, 0.00298641/step Wall: 8737.65, 0.00298641/step, 1.71619 hours remaining, 206.257812 MB of memory in use. ENERGY: 2931200 768.2039 2057.2410 1955.1023 103.3573 -206246.5334 17790.5469 0.0000 0.0000 33983.9201 -149588.1618 296.7900 -183572.0819 -149494.4550 297.7245 -70.7026 -37.1618 557397.2905 10.2268 10.0382 PRESSURE: 2931400 422.696 17.0492 -75.4501 17.0493 347.946 34.8493 -75.4492 34.8497 111.423 GPRESSURE: 2931400 446.602 29.9163 -22.7671 -75.0214 376.411 29.4717 -57.127 27.4085 156.744 PRESSAVG: 2931400 16.9409 -29.5635 -58.2655 -29.5636 -49.595 5.39442 -58.2656 5.3944 65.1087 GPRESSAVG: 2931400 16.7338 -29.5562 -56.5167 -30.8147 -50.6522 7.83257 -58.5426 4.03166 65.7992 TIMING: 2931400 CPU: 8738.25, 0.00296535/step Wall: 8738.25, 0.00296535/step, 1.70392 hours remaining, 206.257812 MB of memory in use. ENERGY: 2931400 713.8431 2064.8981 1912.8140 110.4984 -207112.9375 18285.7055 0.0000 0.0000 34348.2412 -149676.9372 299.9717 -184025.1785 -149585.4223 298.2019 294.0216 326.5856 556589.5486 10.8182 10.6269 PRESSURE: 2931600 100.887 -64.9793 -127.432 -64.9785 -23.0341 101.124 -127.434 101.124 -183.057 GPRESSURE: 2931600 165.408 -14.4148 2.21675 -119.14 -51.9061 58.2357 -119.694 82.0422 -121.546 PRESSAVG: 2931600 19.3715 -16.8327 -21.1121 -16.8326 -22.1541 24.6828 -21.112 24.6827 0.877508 GPRESSAVG: 2931600 19.2793 -16.4136 -23.2511 -14.7815 -20.6045 23.2351 -20.1411 24.5965 -0.559877 TIMING: 2931600 CPU: 8738.83, 0.002909/step Wall: 8738.83, 0.002909/step, 1.67138 hours remaining, 206.257812 MB of memory in use. ENERGY: 2931600 735.8452 2093.8020 1945.9407 111.0131 -206286.9046 17723.7227 0.0000 0.0000 34081.6048 -149594.9762 297.6431 -183676.5810 -149504.7951 298.2401 -35.0679 -2.6814 556881.0202 -0.6350 -0.6283 PRESSURE: 2931800 148.469 -156.609 -69.1333 -156.608 251.084 288.668 -69.1326 288.669 -5.91512 GPRESSURE: 2931800 247.656 -85.4365 -124.753 -166.021 226.853 282.356 28.3997 333.627 9.62018 PRESSAVG: 2931800 11.7321 -13.8927 33.2572 -13.8926 -12.9595 44.6028 33.2572 44.6028 -15.4885 GPRESSAVG: 2931800 12.506 -13.5477 34.425 -15.0081 -14.085 45.1576 32.6215 45.8066 -15.7253 TIMING: 2931800 CPU: 8739.42, 0.00294609/step Wall: 8739.42, 0.00294609/step, 1.69253 hours remaining, 206.257812 MB of memory in use. ENERGY: 2931800 718.0423 2156.9962 1927.2358 116.1863 -206554.3439 17893.3163 0.0000 0.0000 34200.1068 -149542.4601 298.6780 -183742.5669 -149444.1584 298.1765 131.2129 161.3762 556506.7138 -5.5719 -5.7681 PRESSURE: 2932000 -166.633 -49.2922 -27.5701 -49.2913 -39.8009 257.642 -27.5697 257.642 20.9919 GPRESSURE: 2932000 -122.999 -47.2076 -106.638 -26.8837 -23.1941 239.856 37.2436 255.462 69.2607 PRESSAVG: 2932000 33.873 -13.7177 9.77516 -13.7178 -18.7656 25.4931 9.77511 25.4932 -10.59 GPRESSAVG: 2932000 32.3697 -13.6753 8.15582 -13.2648 -17.9731 23.5602 9.23206 26.3532 -9.92544 TIMING: 2932000 CPU: 8740.01, 0.00297731/step Wall: 8740.01, 0.00297731/step, 1.7103 hours remaining, 206.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2932000 728.3068 2141.3449 1920.2954 105.6122 -206319.6867 17893.8127 0.0000 0.0000 34098.0879 -149432.2267 297.7871 -183530.3145 -149339.2063 297.9191 -61.8141 -25.6441 558119.4469 1.5058 1.4904 PRESSURE: 2932200 -182.281 -32.3452 -18.409 -32.3443 -82.5444 9.67973 -18.4097 9.67944 -293.201 GPRESSURE: 2932200 -109.204 -153.7 -13.1653 -54.2409 -109.478 -36.5216 5.63822 -0.612139 -246.521 PRESSAVG: 2932200 -59.0987 54.6548 -11.6173 54.6548 -30.2317 29.5496 -11.6174 29.5496 78.8587 GPRESSAVG: 2932200 -57.2693 51.4717 -10.4841 55.4084 -30.8458 30.7459 -12.322 27.9186 77.3355 TIMING: 2932200 CPU: 8740.6, 0.00294087/step Wall: 8740.6, 0.00294087/step, 1.6892 hours remaining, 206.257812 MB of memory in use. ENERGY: 2932200 715.5207 2063.7365 1952.1025 108.2879 -205553.6584 17275.7440 0.0000 0.0000 34054.1937 -149384.0730 297.4037 -183438.2668 -149287.6101 298.2631 -186.0091 -155.0677 556977.1031 -3.4906 -3.5932 LDB: ============= START OF LOAD BALANCING ============== 8744.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8744.15 LDB: =============== DONE WITH MIGRATION ================ 8744.15 LDB: ============= START OF LOAD BALANCING ============== 8744.44 LDB: Largest compute 4773 load 0.030023 is 25.4% of average load 0.118259 LDB: Average compute 0.001745 is 1.5% of average load 0.118259 LDB: TIME 8744.45 LOAD: AVG 0.118259 MAX 0.199488 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.223 MB LDB: TIME 8744.45 LOAD: AVG 0.118259 MAX 0.199488 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.223 MB LDB: TIME 8744.45 LOAD: AVG 0.118259 MAX 0.199488 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8744.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8744.45 PRESSURE: 2932400 -7.49916 6.27403 54.4179 6.27307 -76.4016 -67.2531 54.417 -67.2521 -288.785 GPRESSURE: 2932400 24.3289 -27.8186 103.559 -44.928 -22.4018 51.4189 2.25765 -81.9129 -267.274 PRESSAVG: 2932400 13.9475 17.6603 32.5612 17.6602 29.1025 -30.9944 32.5612 -30.9943 -27.7684 GPRESSAVG: 2932400 13.477 20.6449 31.4545 17.8345 28.7604 -30.8919 34.8988 -31.5177 -27.1487 TIMING: 2932400 CPU: 8741.2, 0.00300469/step Wall: 8741.2, 0.00300469/step, 1.72569 hours remaining, 206.222656 MB of memory in use. ENERGY: 2932400 734.4912 2122.6448 1939.7412 127.6989 -205984.2852 17624.1832 0.0000 0.0000 33945.9064 -149489.6195 296.4580 -183435.5258 -149401.6818 298.7695 -124.2287 -88.4490 558107.6921 5.0939 5.0296 PRESSURE: 2932600 -174.846 -64.7277 236.102 -64.7272 -121.726 149.648 236.104 149.646 -67.2481 GPRESSURE: 2932600 -132.616 -64.7224 228.575 -191.921 -93.3887 131.75 264.246 155.191 -32.7566 PRESSAVG: 2932600 53.3537 54.3383 14.5073 54.3383 1.22279 0.75875 14.5072 0.758806 -45.6522 GPRESSAVG: 2932600 51.631 54.7827 14.1511 52.6505 2.92025 2.07813 15.8374 1.72404 -45.8618 TIMING: 2932600 CPU: 8741.79, 0.00293417/step Wall: 8741.79, 0.00293417/step, 1.68503 hours remaining, 206.222656 MB of memory in use. ENERGY: 2932600 740.0703 2027.9579 1938.8714 110.0784 -206572.1852 17803.3449 0.0000 0.0000 34397.1192 -149554.7431 300.3986 -183951.8623 -149461.2390 297.5441 -121.2734 -86.2538 557835.0078 2.9748 2.8965 PRESSURE: 2932800 60.0232 -100.455 -74.1981 -100.454 -87.0553 181.21 -74.1977 181.211 222.774 GPRESSURE: 2932800 124.08 -85.5505 -63.9465 -77.2094 -40.0097 191.002 27.8808 127.28 206.755 PRESSAVG: 2932800 -5.65341 -23.2905 55.8587 -23.2904 56.532 -2.46808 55.8588 -2.46805 -65.2068 GPRESSAVG: 2932800 -4.79767 -22.4858 55.5768 -25.0244 56.8275 -2.98887 53.0784 0.242937 -66.8196 TIMING: 2932800 CPU: 8742.38, 0.00295046/step Wall: 8742.38, 0.00295045/step, 1.69422 hours remaining, 206.257812 MB of memory in use. ENERGY: 2932800 749.1271 2038.3694 1904.8749 104.3365 -206477.7426 18053.8090 0.0000 0.0000 34236.8517 -149390.3740 298.9989 -183627.2257 -149288.5245 298.9142 65.2474 96.9416 557269.7376 -4.7761 -4.9299 PRESSURE: 2933000 -55.1828 -42.486 46.5538 -42.487 -168.726 -56.6556 46.5528 -56.6572 -167.893 GPRESSURE: 2933000 -81.6445 -85.3891 84.5231 -9.77225 -132.225 -129.251 49.9252 -76.1342 -84.0426 PRESSAVG: 2933000 61.3746 -34.3948 43.3579 -34.3947 -22.6308 -1.08474 43.358 -1.08474 30.8984 GPRESSAVG: 2933000 60.8295 -35.2724 43.7663 -31.0016 -23.3403 -0.875275 43.0025 -4.91199 32.6605 TIMING: 2933000 CPU: 8742.97, 0.00294506/step Wall: 8742.97, 0.00294506/step, 1.69095 hours remaining, 206.257812 MB of memory in use. ENERGY: 2933000 734.6775 2064.6614 1919.4811 106.1307 -205940.3804 17667.0956 0.0000 0.0000 34084.3484 -149363.9856 297.6671 -183448.3340 -149263.2094 299.0287 -130.6007 -99.3040 558071.6808 23.2141 23.3832 PRESSURE: 2933200 -168.008 -56.0473 -51.242 -56.0475 157.6 -117.701 -51.2423 -117.701 200.301 GPRESSURE: 2933200 -158.027 -53.8011 -118.267 -91.0848 252.416 -85.1867 126.876 -143.37 197.416 PRESSAVG: 2933200 2.34918 -9.71619 -31.5201 -9.71614 -4.701 -14.2383 -31.5202 -14.2383 7.36514 GPRESSAVG: 2933200 2.63213 -10.1517 -30.3521 -10.8297 -4.65404 -13.981 -29.8279 -11.4751 7.04303 TIMING: 2933200 CPU: 8743.56, 0.00294874/step Wall: 8743.56, 0.00294874/step, 1.6929 hours remaining, 206.257812 MB of memory in use. ENERGY: 2933200 717.0615 2085.1869 1888.7351 122.6927 -206070.6104 17770.3115 0.0000 0.0000 34217.6262 -149268.9964 298.8310 -183486.6226 -149181.4788 298.0192 63.2980 97.2685 557100.9447 1.6711 1.6737 PRESSURE: 2933400 -33.9095 4.3337 51.9557 4.33407 -100.333 -10.0764 51.9561 -10.0768 29.7103 GPRESSURE: 2933400 -22.0152 86.5337 174.879 -11.0604 -10.2514 -38.8987 -33.7596 72.8067 19.9347 PRESSAVG: 2933400 -1.03372 -38.8998 17.6705 -38.8999 4.8499 9.20789 17.6706 9.20787 -39.9052 GPRESSAVG: 2933400 -0.0230439 -39.6502 18.7994 -37.8674 4.92008 7.45042 15.9339 6.9131 -41.2427 TIMING: 2933400 CPU: 8744.15, 0.00295395/step Wall: 8744.15, 0.00295395/step, 1.69573 hours remaining, 206.257812 MB of memory in use. ENERGY: 2933400 695.7442 2097.8452 1929.6272 113.9278 -205981.2652 17679.4232 0.0000 0.0000 34256.4253 -149208.2724 299.1699 -183464.6976 -149111.1364 298.9986 -34.8440 -4.1106 557968.3554 -12.0297 -12.1152 PRESSURE: 2933600 -571.616 -78.3802 -101.443 -78.3797 -428.654 -87.3686 -101.444 -87.3689 -289.502 GPRESSURE: 2933600 -494.85 -90.259 -17.0369 -78.2889 -396.786 -80.8217 -111.57 -129.135 -297.097 PRESSAVG: 2933600 -47.5367 0.117494 -13.9687 0.117578 20.8598 -54.7638 -13.9688 -54.7638 -17.5763 GPRESSAVG: 2933600 -49.036 1.24682 -14.6016 -0.617469 19.9483 -55.8066 -11.6508 -52.5817 -15.0794 TIMING: 2933600 CPU: 8744.73, 0.00291666/step Wall: 8744.73, 0.00291666/step, 1.67416 hours remaining, 206.257812 MB of memory in use. ENERGY: 2933600 750.7163 2032.8903 1944.8065 112.8251 -205737.3329 17234.3799 0.0000 0.0000 34420.0315 -149241.6833 300.5987 -183661.7148 -149140.8193 298.5341 -429.9240 -396.2443 557795.8836 -14.7511 -14.7224 PRESSURE: 2933800 -247.018 -200.475 95.6755 -200.474 -112.852 -122.462 95.6749 -122.461 27.7315 GPRESSURE: 2933800 -212.113 -187.42 73.5984 -135.917 -64.486 -38.0806 22.9966 -107.674 41.2231 PRESSAVG: 2933800 14.6204 -3.28233 13.9469 -3.28223 -26.352 -34.4658 13.947 -34.4659 21.3156 GPRESSAVG: 2933800 14.9253 -3.01019 12.1792 -5.35917 -25.7424 -33.1273 13.7057 -36.8027 20.2709 TIMING: 2933800 CPU: 8745.32, 0.00294707/step Wall: 8745.32, 0.00294707/step, 1.69146 hours remaining, 206.257812 MB of memory in use. ENERGY: 2933800 756.0463 2117.3706 1930.8614 121.0599 -206077.3732 17791.5625 0.0000 0.0000 34128.6064 -149231.8660 298.0536 -183360.4724 -149142.9416 299.4165 -110.7129 -78.4587 558938.1082 3.1946 3.1513 PRESSURE: 2934000 16.8028 -72.5375 -65.0448 -72.5376 -144.492 -121.27 -65.0454 -121.27 -22.2196 GPRESSURE: 2934000 65.8288 -54.7728 -104.453 -44.2404 -100.104 -201.194 -104.158 -108.087 -16.2564 PRESSAVG: 2934000 -33.4708 -42.997 30.5729 -42.9971 -3.60401 -9.44527 30.5728 -9.44521 23.9596 GPRESSAVG: 2934000 -32.686 -43.3132 30.7731 -42.2906 -3.15843 -9.95008 30.5534 -8.50391 23.3596 TIMING: 2934000 CPU: 8745.91, 0.00295118/step Wall: 8745.91, 0.00295118/step, 1.69365 hours remaining, 206.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2934000 736.9335 2079.5479 1910.8513 114.9344 -206269.1994 17727.6537 0.0000 0.0000 34509.3402 -149189.9384 301.3787 -183699.2786 -149083.4107 299.0910 -49.9695 -16.8440 557544.6513 -4.3717 -4.1616 PRESSURE: 2934200 -204.948 37.9516 107.078 37.9504 11.2617 -10.7435 107.08 -10.7441 -188.086 GPRESSURE: 2934200 -124.938 -67.1353 72.6945 92.8222 16.0123 43.1584 135.014 -9.96208 -177.611 PRESSAVG: 2934200 -50.2734 -1.33487 -8.64 -1.33489 15.249 -5.03347 -8.63994 -5.03346 11.7805 GPRESSAVG: 2934200 -50.0781 -2.89922 -9.02628 -0.823792 14.8964 -4.26681 -8.2865 -4.59785 11.91 TIMING: 2934200 CPU: 8746.5, 0.00295109/step Wall: 8746.5, 0.00295109/step, 1.69344 hours remaining, 206.257812 MB of memory in use. ENERGY: 2934200 722.2264 2092.8627 1932.8116 110.3731 -205949.2549 17567.1516 0.0000 0.0000 34355.5967 -149168.2329 300.0360 -183523.8296 -149072.7602 298.9414 -127.2573 -95.5121 559062.5984 -7.7480 -7.7572 PRESSURE: 2934400 98.4307 63.593 167.415 63.5945 13.4966 -11.1389 167.413 -11.139 30.2226 GPRESSURE: 2934400 107.774 111.615 75.8201 42.8512 25.7984 -20.5398 251.488 -98.13 111.63 PRESSAVG: 2934400 10.6016 -24.1068 18.1777 -24.1068 12.4095 2.28054 18.1776 2.28045 -31.846 GPRESSAVG: 2934400 10.7848 -22.2494 18.4949 -23.5924 12.0869 2.16279 17.5062 0.508202 -31.8791 TIMING: 2934400 CPU: 8747.09, 0.00295679/step Wall: 8747.09, 0.00295679/step, 1.69654 hours remaining, 206.257812 MB of memory in use. ENERGY: 2934400 722.8309 2102.8652 1944.2715 119.4891 -205863.2183 17752.6014 0.0000 0.0000 34261.8448 -148959.3153 299.2172 -183221.1601 -148864.2849 299.4979 47.3833 81.7343 559421.7219 -2.9450 -3.0025 PRESSURE: 2934600 -28.7025 -75.8905 -91.6099 -75.8899 -314.671 221.644 -91.6098 221.644 32.0361 GPRESSURE: 2934600 -23.532 -25.275 -151.288 -130.389 -304.661 181.583 -87.3569 145.343 103.045 PRESSAVG: 2934600 44.2124 -4.43215 11.9294 -4.43209 -18.4577 23.8505 11.9294 23.8506 -45.283 GPRESSAVG: 2934600 43.8789 -3.14055 10.649 -6.30018 -16.5802 23.4233 12.5825 25.3624 -46.3832 TIMING: 2934600 CPU: 8747.69, 0.00295944/step Wall: 8747.69, 0.00295944/step, 1.6979 hours remaining, 206.257812 MB of memory in use. ENERGY: 2934600 760.3767 2100.7098 1940.7715 107.8212 -205874.1078 17670.5361 0.0000 0.0000 34324.5183 -148969.3741 299.7646 -183293.8925 -148871.6642 299.3359 -103.7790 -75.0491 559885.6858 -6.5094 -6.3615 PRESSURE: 2934800 58.0765 7.42004 194.454 7.41998 -175.527 -180.8 194.453 -180.8 -104.509 GPRESSURE: 2934800 111.762 30.9287 194.254 70.9101 -137.752 -216.805 238.421 -176.859 -93.9024 PRESSAVG: 2934800 42.8812 62.1954 0.483494 62.1954 -78.268 -2.01681 0.48343 -2.01692 1.85078 GPRESSAVG: 2934800 42.895 60.8262 2.97435 63.0417 -79.0539 -0.00020996 -0.994926 -3.18576 2.38022 TIMING: 2934800 CPU: 8748.28, 0.00297563/step Wall: 8748.28, 0.00297563/step, 1.70702 hours remaining, 206.257812 MB of memory in use. ENERGY: 2934800 764.4334 2047.9997 1909.7425 118.6551 -206266.6489 17969.1734 0.0000 0.0000 34567.3170 -148889.3279 301.8850 -183456.6449 -148777.1223 300.1650 -73.9864 -39.9642 561183.1154 -11.1787 -11.2596 PRESSURE: 2935000 -404.103 -199.461 56.4244 -199.462 -34.3323 30.3526 56.4227 30.3536 -10.436 GPRESSURE: 2935000 -422.439 -187.068 71.1669 -151.619 19.7528 76.3935 -12.1214 41.1201 57.7295 PRESSAVG: 2935000 -71.262 28.1343 -17.9578 28.1343 27.9638 -24.8333 -17.9578 -24.8333 29.0557 GPRESSAVG: 2935000 -72.4618 27.2691 -18.4625 28.3905 27.7205 -25.943 -18.1805 -25.0579 30.0304 TIMING: 2935000 CPU: 8748.88, 0.00297468/step Wall: 8748.88, 0.00297468/step, 1.70631 hours remaining, 206.257812 MB of memory in use. ENERGY: 2935000 778.4648 2091.5076 1929.0305 107.7714 -206091.1580 17790.5619 0.0000 0.0000 34291.6530 -149102.1688 299.4775 -183393.8218 -149002.3483 300.4216 -149.6238 -114.9855 560619.3762 -4.7475 -4.9036 PRESSURE: 2935200 -128.531 -5.20854 182.71 -5.2092 -63.3551 -49.7039 182.709 -49.7047 -20.2177 GPRESSURE: 2935200 -120.07 -53.2782 222.888 94.0042 -50.9339 7.01497 113.594 -168.154 47.4595 PRESSAVG: 2935200 -65.4788 -1.58913 29.9787 -1.58919 23.3915 26.2273 29.9786 26.2273 -2.6775 GPRESSAVG: 2935200 -63.4199 -0.631195 30.3225 -2.25725 22.5087 26.5837 31.0309 25.7169 -3.51526 TIMING: 2935200 CPU: 8749.47, 0.00296519/step Wall: 8749.47, 0.00296519/step, 1.7007 hours remaining, 206.257812 MB of memory in use. ENERGY: 2935200 746.3660 2090.2065 1945.8821 122.4033 -206195.2680 17850.0739 0.0000 0.0000 34318.2916 -149122.0447 299.7102 -183440.3362 -149015.9527 299.6632 -70.7014 -41.1816 559017.2129 -14.9216 -14.8088 PRESSURE: 2935400 41.8856 201.487 13.6713 201.487 -104.515 14.7148 13.672 14.7148 -171.913 GPRESSURE: 2935400 109.553 195.695 47.3202 191.969 -81.2528 78.4852 -18.5813 -8.73783 -186.415 PRESSAVG: 2935400 5.39418 83.9774 42.4626 83.9775 3.99493 -34.4847 42.4627 -34.4846 34.8672 GPRESSAVG: 2935400 2.6528 83.4746 42.1039 84.6069 4.67999 -35.353 41.7987 -32.4684 36.3976 TIMING: 2935400 CPU: 8750.06, 0.00297749/step Wall: 8750.06, 0.00297749/step, 1.70759 hours remaining, 206.257812 MB of memory in use. ENERGY: 2935400 782.5238 2118.7837 1935.7425 117.7140 -206151.9915 17647.7855 0.0000 0.0000 34439.6379 -149109.8042 300.7699 -183549.4421 -149004.6728 300.4567 -78.1808 -52.7051 557484.9782 14.7521 14.5768 PRESSURE: 2935600 13.6694 23.0311 -96.8279 23.0312 73.2485 92.7083 -96.8283 92.71 26.5884 GPRESSURE: 2935600 94.1765 -29.5106 -123.869 -26.0024 84.7847 -6.60494 -39.6717 246.645 38.0682 PRESSAVG: 2935600 73.5574 79.4748 -38.4335 79.4748 -68.5856 25.3387 -38.4335 25.3385 36.4881 GPRESSAVG: 2935600 74.2251 78.7124 -38.3171 79.3022 -68.062 27.8621 -39.491 23.9582 35.7009 TIMING: 2935600 CPU: 8750.65, 0.00294601/step Wall: 8750.65, 0.00294601/step, 1.68937 hours remaining, 206.257812 MB of memory in use. ENERGY: 2935600 756.2871 2092.9145 1929.2130 116.9613 -206048.2041 17803.5973 0.0000 0.0000 34366.8025 -148982.4284 300.1338 -183349.2310 -148881.3734 299.6257 37.8354 72.3431 556717.9344 13.8200 13.9547 PRESSURE: 2935800 -197.243 24.3711 110.217 24.3702 -216.018 -38.3856 110.217 -38.3858 239.629 GPRESSURE: 2935800 -137.779 11.5923 15.837 113.025 -162.292 11.5632 89.2147 -55.5111 226.82 PRESSAVG: 2935800 22.9848 44.2186 -2.24863 44.2186 11.1622 -2.24441 -2.24865 -2.24453 -27.8561 GPRESSAVG: 2935800 23.3814 44.392 -3.69053 44.5302 10.6768 -2.73734 -0.160991 -2.54305 -28.0011 TIMING: 2935800 CPU: 8751.25, 0.00297122/step Wall: 8751.25, 0.00297122/step, 1.70366 hours remaining, 206.257812 MB of memory in use. ENERGY: 2935800 775.7895 2064.2190 1954.8060 111.4162 -206245.6611 17813.2515 0.0000 0.0000 34386.1672 -149140.0118 300.3030 -183526.1789 -149041.9577 299.8981 -57.8772 -24.4171 558498.9802 2.0970 2.0190 PRESSURE: 2936000 -248.065 -103.716 -22.6587 -103.717 -188.777 -150.826 -22.6587 -150.825 -167.956 GPRESSURE: 2936000 -210.303 7.38003 15.0835 -109.102 -160.163 -152.975 -94.8245 -155.849 -141.924 PRESSAVG: 2936000 19.5025 75.0554 27.9192 75.0555 -21.8286 -22.2717 27.9192 -22.2718 -2.9627 GPRESSAVG: 2936000 19.5291 76.721 28.4596 74.03 -21.5296 -22.5823 26.1939 -21.3077 -3.63439 TIMING: 2936000 CPU: 8751.84, 0.00297033/step Wall: 8751.84, 0.00297033/step, 1.70299 hours remaining, 206.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2936000 776.9538 2075.4334 1917.1383 108.4116 -205693.6589 17618.3304 0.0000 0.0000 34094.4521 -149102.9393 297.7553 -183197.3914 -149010.9453 298.8926 -201.5996 -170.7967 558747.0434 -1.7630 -1.8783 PRESSURE: 2936200 154.425 -94.232 14.9115 -94.2319 -207.027 47.4995 14.9121 47.4974 25.9054 GPRESSURE: 2936200 189.597 -60.3161 16.3123 -229.003 -152.97 64.6801 123.394 -54.4028 27.931 PRESSAVG: 2936200 10.7469 -13.9752 -17.1397 -13.9753 -1.15331 0.76838 -17.1397 0.768331 -0.784531 GPRESSAVG: 2936200 9.63049 -15.3442 -17.7088 -14.387 -1.54889 0.57598 -15.4192 0.254553 -0.238745 TIMING: 2936200 CPU: 8752.44, 0.00296747/step Wall: 8752.44, 0.00296747/step, 1.70118 hours remaining, 206.257812 MB of memory in use. ENERGY: 2936200 758.9967 2056.4947 1955.7565 107.9367 -206195.3131 17889.7134 0.0000 0.0000 34444.5437 -148981.8714 300.8128 -183426.4151 -148881.2109 299.1835 -8.8988 21.5194 557348.8396 2.9364 2.6143 LDB: ============= START OF LOAD BALANCING ============== 8755.99 LDB: ============== END OF LOAD BALANCING =============== 8755.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8755.99 LDB: ============= START OF LOAD BALANCING ============== 8756.29 LDB: Largest compute 4773 load 0.027397 is 23.2% of average load 0.118267 LDB: Average compute 0.001732 is 1.5% of average load 0.118267 LDB: TIME 8756.29 LOAD: AVG 0.118267 MAX 0.204454 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.77 MB LDB: TIME 8756.29 LOAD: AVG 0.118267 MAX 0.204454 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.77 MB LDB: TIME 8756.29 LOAD: AVG 0.118267 MAX 0.204454 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.77 MB LDB: ============== END OF LOAD BALANCING =============== 8756.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8756.3 PRESSURE: 2936400 143.436 51.6129 -132.641 51.6132 -60.301 42.9715 -132.641 42.9714 -186.87 GPRESSURE: 2936400 148.884 68.4591 -106.163 130.876 -41.366 156.361 -142.563 -33.6506 -119.317 PRESSAVG: 2936400 44.0549 17.3163 -38.1333 17.3162 -3.52149 28.7474 -38.1333 28.7474 -37.9288 GPRESSAVG: 2936400 44.81 18.5354 -36.185 16.6203 -3.87755 27.985 -38.8937 28.4073 -38.2598 TIMING: 2936400 CPU: 8753.05, 0.00305163/step Wall: 8753.05, 0.00305163/step, 1.74926 hours remaining, 208.015625 MB of memory in use. ENERGY: 2936400 782.4873 2100.0137 1921.3023 102.4875 -205957.9509 17822.3401 0.0000 0.0000 34101.8240 -149127.4960 297.8197 -183229.3200 -149033.3687 300.0521 -34.5784 -3.9329 558313.7975 0.8682 0.8909 PRESSURE: 2936600 45.2592 59.7936 66.3324 59.7927 -329.574 -186.223 66.333 -186.224 -22.4734 GPRESSURE: 2936600 28.615 39.95 175.277 50.9834 -241.188 -149.148 26.9153 -77.6902 -1.38609 PRESSAVG: 2936600 30.9441 -4.97732 34.4271 -4.97731 5.211 25.1793 34.4271 25.1793 -42.6798 GPRESSAVG: 2936600 30.8708 -8.09654 33.5688 -2.58707 5.31119 25.2336 35.4544 26.3095 -43.157 TIMING: 2936600 CPU: 8753.65, 0.00299929/step Wall: 8753.65, 0.00299929/step, 1.71909 hours remaining, 208.214844 MB of memory in use. ENERGY: 2936600 744.8416 2116.6811 1930.3060 124.7447 -206043.6001 17634.9265 0.0000 0.0000 34592.2177 -148899.8826 302.1024 -183492.1002 -148804.4701 299.7626 -102.2627 -71.3196 558499.7336 -2.1749 -2.3250 PRESSURE: 2936800 -39.0609 20.5916 -80.8087 20.5913 92.2826 -15.7559 -80.8079 -15.7541 -124.225 GPRESSURE: 2936800 31.1151 -66.5522 -72.0198 115.927 90.8809 -13.7888 -107.222 -48.0334 -83.8333 PRESSAVG: 2936800 -13.6085 84.289 -27.1461 84.289 21.4145 -1.58481 -27.1462 -1.58478 11.3767 GPRESSAVG: 2936800 -15.1566 87.8497 -29.3167 81.827 21.7496 -1.60107 -27.449 -0.829769 12.6851 TIMING: 2936800 CPU: 8754.24, 0.00299103/step Wall: 8754.24, 0.00299103/step, 1.71419 hours remaining, 208.214844 MB of memory in use. ENERGY: 2936800 735.2972 2118.4711 1927.8760 117.4098 -205959.8998 17818.4068 0.0000 0.0000 34359.0556 -148883.3833 300.0662 -183242.4389 -148787.4660 300.4622 -23.6678 12.7209 558108.5668 6.3942 6.4260 PRESSURE: 2937000 -22.0453 -286.595 -56.4416 -286.594 163.843 28.1642 -56.4404 28.1652 8.67919 GPRESSURE: 2937000 32.582 -287.489 -39.6505 -331.989 206.877 71.6746 -86.0176 36.5055 2.79577 PRESSAVG: 2937000 34.4056 30.3327 -51.3641 30.3328 -74.1361 15.8688 -51.3641 15.8688 31.642 GPRESSAVG: 2937000 35.3463 29.2485 -48.2513 31.8095 -75.8092 16.0057 -51.2384 15.0159 31.8913 TIMING: 2937000 CPU: 8754.84, 0.00297662/step Wall: 8754.84, 0.00297662/step, 1.70577 hours remaining, 208.214844 MB of memory in use. ENERGY: 2937000 718.3594 2047.3442 1957.0748 116.2000 -206169.7038 17982.0813 0.0000 0.0000 34284.0902 -149064.5539 299.4115 -183348.6441 -148969.9846 299.7202 50.1589 80.7515 559091.1908 -2.6962 -2.8572 PRESSURE: 2937200 41.7858 -86.2824 -40.4553 -86.2824 -311.754 -91.5894 -40.4557 -91.5886 -64.1134 GPRESSURE: 2937200 10.8452 -46.012 -11.2662 -118.505 -217.087 -96.9841 -0.786214 -38.6086 -27.2805 PRESSAVG: 2937200 8.72111 -46.9992 14.942 -46.9992 30.0504 19.027 14.9419 19.027 -22.071 GPRESSAVG: 2937200 8.62764 -46.4706 12.7409 -48.4484 30.9102 19.9824 14.9756 17.3364 -22.7219 TIMING: 2937200 CPU: 8755.43, 0.00296489/step Wall: 8755.43, 0.00296489/step, 1.69888 hours remaining, 208.214844 MB of memory in use. ENERGY: 2937200 748.5753 2123.9643 1934.5604 122.6803 -205998.0627 17681.0747 0.0000 0.0000 34170.5061 -149216.7015 298.4195 -183387.2076 -149116.4276 298.6254 -111.3605 -77.8410 558404.4428 5.5668 5.6053 PRESSURE: 2937400 -47.9311 -113.388 149.927 -113.389 -110.688 -99.8117 149.928 -99.8117 -20.3057 GPRESSURE: 2937400 -7.88797 -103.018 135.786 -169.618 -142.408 -175.815 74.0473 -71.6282 70.869 PRESSAVG: 2937400 -7.25679 17.9954 31.9926 17.9954 -0.648822 2.03725 31.9927 2.03728 -20.5627 GPRESSAVG: 2937400 -6.8677 19.0104 32.0358 17.9426 -0.680518 1.47863 32.0963 2.83167 -20.5346 TIMING: 2937400 CPU: 8756.02, 0.00295725/step Wall: 8756.02, 0.00295725/step, 1.69434 hours remaining, 208.324219 MB of memory in use. ENERGY: 2937400 731.9541 2068.7126 1917.6173 108.8547 -205962.7736 17757.2073 0.0000 0.0000 34180.8113 -149197.6163 298.5095 -183378.4276 -149107.7500 298.8347 -59.6417 -26.4756 559141.4026 -9.4894 -9.3609 PRESSURE: 2937600 -218.79 -39.2451 -4.94121 -39.2446 109.913 -78.4055 -4.94102 -78.4051 -78.5296 GPRESSURE: 2937600 -128.015 -1.01659 -16.873 -28.0403 80.2799 35.7758 -38.5719 -100.196 -35.1195 PRESSAVG: 2937600 -16.529 6.90671 9.55963 6.90684 -3.30788 11.3693 9.55954 11.3692 6.20963 GPRESSAVG: 2937600 -16.5754 5.50287 11.2296 7.45292 -2.23608 11.0776 9.83899 11.0318 5.18731 TIMING: 2937600 CPU: 8756.62, 0.00296512/step Wall: 8756.62, 0.00296512/step, 1.69868 hours remaining, 208.324219 MB of memory in use. ENERGY: 2937600 718.4260 2105.2260 1932.9112 107.3631 -206108.7675 17725.0880 0.0000 0.0000 34164.4334 -149355.3198 298.3665 -183519.7532 -149263.8268 299.6376 -62.4691 -27.6181 558723.4337 -4.5424 -4.5414 PRESSURE: 2937800 202.915 -34.5689 46.4338 -34.5693 320.3 29.7538 46.4329 29.7546 -14.4299 GPRESSURE: 2937800 212.335 45.7282 17.6819 -62.4278 413.131 58.1447 61.9921 5.90095 -7.85166 PRESSAVG: 2937800 52.8395 -9.1261 7.69812 -9.12621 -17.4937 -46.4668 7.69813 -46.4668 -55.4896 GPRESSAVG: 2937800 52.6793 -6.93822 7.20818 -9.98689 -17.5236 -45.2432 5.70592 -45.2821 -55.0001 TIMING: 2937800 CPU: 8757.2, 0.00292795/step Wall: 8757.2, 0.00292795/step, 1.67723 hours remaining, 208.324219 MB of memory in use. ENERGY: 2937800 724.6882 2117.4161 1927.3743 116.0089 -206396.0577 17938.2433 0.0000 0.0000 34230.2514 -149342.0755 298.9413 -183572.3268 -149238.5887 298.8211 169.5953 205.8716 557047.8322 -6.7146 -6.6148 PRESSURE: 2938000 141.3 -70.2141 -53.0948 -70.2132 -216.291 221.193 -53.0959 221.194 -87.3212 GPRESSURE: 2938000 214.688 -119.19 51.6078 -103.431 -183.63 216.971 -48.9832 196.777 -97.8294 PRESSAVG: 2938000 20.0599 -9.96805 -9.59971 -9.96803 6.91183 0.496527 -9.59969 0.496575 3.87192 GPRESSAVG: 2938000 20.1487 -12.3968 -9.94651 -7.80525 6.70064 1.4389 -7.29444 -0.730089 4.21184 TIMING: 2938000 CPU: 8757.79, 0.00294076/step Wall: 8757.79, 0.00294076/step, 1.6844 hours remaining, 208.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2938000 763.2875 2104.2161 1955.9711 116.5293 -206174.2385 17698.9423 0.0000 0.0000 34207.7694 -149327.5227 298.7450 -183535.2922 -149230.0694 299.1094 -54.1040 -22.2571 556004.2379 10.2812 10.3537 PRESSURE: 2938200 1.52014 -85.6584 -52.7179 -85.6588 -386.166 -154.444 -52.7182 -154.442 190.268 GPRESSURE: 2938200 89.3868 -114.552 -49.813 -91.5964 -426.781 -60.1419 -28.2119 -164.516 223.778 PRESSAVG: 2938200 26.9978 -17.0805 -10.0246 -17.0805 -69.0458 8.39919 -10.0246 8.39914 38.557 GPRESSAVG: 2938200 27.4565 -16.7059 -9.39002 -18.5655 -69.6615 7.83819 -12.0528 8.5122 38.3081 TIMING: 2938200 CPU: 8758.37, 0.00292098/step Wall: 8758.37, 0.00292098/step, 1.67291 hours remaining, 208.523438 MB of memory in use. ENERGY: 2938200 742.5808 2124.3998 1951.4045 104.8992 -206576.9889 17878.9357 0.0000 0.0000 34338.9106 -149435.8582 299.8902 -183774.7688 -149339.7772 299.2576 -64.7926 -37.8721 556291.0731 -1.1637 -1.2990 PRESSURE: 2938400 -288.801 -58.656 -20.3333 -58.6572 -177.615 77.158 -20.3344 77.1572 116.127 GPRESSURE: 2938400 -220.059 -98.1419 -5.33643 -96.8076 -151.748 140.477 -66.6599 60.3984 110.126 PRESSAVG: 2938400 11.372 -73.3375 -35.8764 -73.3375 -36.4239 -48.8949 -35.8763 -48.8951 -26.439 GPRESSAVG: 2938400 11.9107 -72.8731 -37.5421 -72.5763 -36.3614 -49.8609 -33.8292 -48.6537 -27.3971 TIMING: 2938400 CPU: 8758.97, 0.00295433/step Wall: 8758.97, 0.00295433/step, 1.69185 hours remaining, 208.523438 MB of memory in use. ENERGY: 2938400 734.7056 2100.5983 1936.4235 118.1974 -206170.9334 17578.0615 0.0000 0.0000 34306.0930 -149396.8541 299.6036 -183702.9471 -149295.2252 299.2466 -116.7628 -87.2271 557096.4819 -17.1636 -17.2826 PRESSURE: 2938600 -24.9889 4.50438 -77.1822 4.50376 297.608 6.66735 -77.1819 6.66673 10.1448 GPRESSURE: 2938600 -11.1398 -31.3563 -117.658 -40.5574 313.505 7.59996 -86.8586 -25.652 73.6644 PRESSAVG: 2938600 39.609 -16.8836 12.5697 -16.8836 -36.4888 26.8486 12.5698 26.8485 36.1838 GPRESSAVG: 2938600 38.7119 -16.8057 13.9251 -18.255 -36.8775 26.5664 11.9212 26.6128 37.1789 TIMING: 2938600 CPU: 8759.55, 0.00294089/step Wall: 8759.55, 0.00294089/step, 1.68398 hours remaining, 208.523438 MB of memory in use. ENERGY: 2938600 766.9938 2119.4132 1934.3683 107.4854 -206782.1787 18151.9713 0.0000 0.0000 34242.0197 -149459.9271 299.0441 -183701.9468 -149360.9268 298.9546 94.2547 125.3432 557714.4395 13.1013 13.0044 PRESSURE: 2938800 -156.182 -5.08025 -27.4118 -5.08007 189.395 -9.12474 -27.4121 -9.12493 -213.996 GPRESSURE: 2938800 -120.19 -78.5085 -85.4078 0.388239 227.564 -38.7359 45.4361 -36.1604 -184.457 PRESSAVG: 2938800 -7.47898 4.73383 25.7939 4.7339 -7.58486 8.45431 25.7939 8.4542 -13.5704 GPRESSAVG: 2938800 -7.55622 4.50575 27.103 5.69333 -6.57105 8.7087 22.6058 7.31082 -13.9974 TIMING: 2938800 CPU: 8760.14, 0.00295498/step Wall: 8760.14, 0.00295498/step, 1.69189 hours remaining, 208.523438 MB of memory in use. ENERGY: 2938800 767.8673 2049.3074 1920.8441 117.1820 -206479.4481 17745.4530 0.0000 0.0000 34422.3760 -149456.4183 300.6192 -183878.7943 -149356.7316 298.5920 -60.2610 -25.6944 557700.1761 -9.5448 -9.3749 PRESSURE: 2939000 -249.265 -47.9167 9.64909 -47.9156 -264.38 30.9779 9.64939 30.9758 -209.17 GPRESSURE: 2939000 -205.103 14.6893 68.9811 -71.7276 -266.186 -104.502 -23.2357 40.9039 -149.258 PRESSAVG: 2939000 23.8163 -28.3135 68.673 -28.3135 8.20798 15.2137 68.673 15.2138 -8.82408 GPRESSAVG: 2939000 24.9522 -28.5867 65.7733 -28.9098 6.85405 14.1455 72.1553 16.4833 -8.65713 TIMING: 2939000 CPU: 8760.74, 0.0029739/step Wall: 8760.74, 0.0029739/step, 1.70256 hours remaining, 208.523438 MB of memory in use. ENERGY: 2939000 753.4671 2075.0426 1919.7386 113.3259 -206044.4912 17439.0546 0.0000 0.0000 34440.7501 -149303.1123 300.7796 -183743.8624 -149198.2294 300.0067 -240.9382 -206.8488 556003.6753 7.7334 7.7164 PRESSURE: 2939200 -69.618 73.0024 -9.8341 73.0025 85.6594 -115.338 -9.83417 -115.339 -170.193 GPRESSURE: 2939200 1.83946 90.3284 76.3447 48.4093 74.4164 -115.897 -80.0517 -11.876 -125.288 PRESSAVG: 2939200 43.367 -16.5423 24.8278 -16.5423 -8.96041 14.4014 24.8279 14.4014 -43.5864 GPRESSAVG: 2939200 42.4985 -16.2599 28.1775 -15.8966 -8.29028 14.5621 24.7086 14.1328 -42.9645 TIMING: 2939200 CPU: 8761.33, 0.00297443/step Wall: 8761.33, 0.00297443/step, 1.7027 hours remaining, 208.523438 MB of memory in use. ENERGY: 2939200 756.8333 2069.0327 1944.6669 102.4846 -206370.6975 17741.4264 0.0000 0.0000 34396.2495 -149360.0042 300.3910 -183756.2537 -149263.4191 298.8675 -51.3840 -16.3441 556953.2023 -3.0599 -2.9188 PRESSURE: 2939400 -314.858 135.474 39.8213 135.473 -143.123 -11.4394 39.8216 -11.4388 -451.716 GPRESSURE: 2939400 -324.602 113.779 21.2439 81.1223 -95.8812 11.6311 49.0197 35.1823 -400.41 PRESSAVG: 2939400 13.3749 1.77347 40.3014 1.77335 -14.9122 -23.6766 40.3014 -23.6766 13.738 GPRESSAVG: 2939400 12.265 2.10861 38.9431 0.279733 -15.409 -21.8465 41.8508 -24.1766 14.6133 TIMING: 2939400 CPU: 8761.93, 0.00297758/step Wall: 8761.93, 0.00297759/step, 1.70434 hours remaining, 208.523438 MB of memory in use. ENERGY: 2939400 773.0369 2065.3377 1920.1254 115.7168 -205933.1818 17412.6425 0.0000 0.0000 34185.9346 -149460.3879 298.5543 -183646.3225 -149358.6236 298.8363 -303.2321 -273.6311 558522.4964 4.0669 3.8231 PRESSURE: 2939600 -95.9409 25.9515 72.8024 25.9518 -146.438 66.9696 72.8036 66.9685 -197.47 GPRESSURE: 2939600 -77.416 39.8479 87.1617 4.40971 -105.462 152.475 -8.94642 -6.19515 -157.329 PRESSAVG: 2939600 19.8232 -43.478 60.7763 -43.4781 -10.254 -1.10429 60.7762 -1.10421 -4.55102 GPRESSAVG: 2939600 20.6719 -44.2615 60.7132 -42.5618 -9.2609 -4.51178 57.9924 1.22989 -6.63927 TIMING: 2939600 CPU: 8762.53, 0.00297753/step Wall: 8762.53, 0.00297753/step, 1.70414 hours remaining, 208.523438 MB of memory in use. ENERGY: 2939600 765.9239 2098.3630 1934.1500 115.5274 -206558.1807 17863.9635 0.0000 0.0000 34543.2508 -149237.0021 301.6748 -183780.2529 -149141.4027 299.5043 -146.6162 -113.4023 558379.8550 1.6727 1.5906 PRESSURE: 2939800 139.205 9.10558 -20.3849 9.10564 61.0966 -17.9662 -20.385 -17.9659 -91.826 GPRESSURE: 2939800 154.782 -21.8404 -30.8128 42.1849 109.491 -2.38707 -82.7846 38.644 -50.54 PRESSAVG: 2939800 11.6529 13.7015 -23.5057 13.7016 -9.58322 32.7103 -23.5056 32.7103 -37.1711 GPRESSAVG: 2939800 12.5712 14.1948 -24.8875 13.7049 -11.4847 33.7393 -23.8531 32.1027 -36.6443 TIMING: 2939800 CPU: 8763.11, 0.00294728/step Wall: 8763.11, 0.00294728/step, 1.68666 hours remaining, 208.523438 MB of memory in use. ENERGY: 2939800 768.3819 2094.1409 1956.3132 105.4870 -206633.8679 17954.3217 0.0000 0.0000 34171.1000 -149584.1231 298.4247 -183755.2231 -149489.1048 299.3394 36.1587 71.2444 557290.6679 -11.7005 -11.8526 PRESSURE: 2940000 3.2674 145.426 -60.0503 145.425 -229.151 -48.2306 -60.0514 -48.2326 150.37 GPRESSURE: 2940000 73.9496 133.409 15.992 152.52 -254.659 -52.207 -28.6937 -65.9823 204.394 PRESSAVG: 2940000 12.0825 -12.7047 -27.2803 -12.7048 17.3308 -20.5674 -27.2803 -20.5674 -44.108 GPRESSAVG: 2940000 10.8816 -12.7251 -24.3898 -12.6082 18.4519 -20.8068 -26.9005 -22.8191 -43.4123 TIMING: 2940000 CPU: 8763.71, 0.00296637/step Wall: 8763.71, 0.00296637/step, 1.69742 hours remaining, 208.523438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2940000 770.7413 2060.5826 1929.8656 100.6523 -206606.4385 17899.6644 0.0000 0.0000 34251.6564 -149593.2761 299.1282 -183844.9325 -149498.0232 298.2570 -25.1714 7.8947 556981.9424 -4.8982 -4.6929 PRESSURE: 2940200 -364.247 -38.6053 18.3256 -38.6044 19.3738 -46.3248 18.3261 -46.3265 -214.214 GPRESSURE: 2940200 -354.579 -56.0809 74.8222 -26.1567 58.0691 -52.8294 28.3558 -75.7184 -174.213 PRESSAVG: 2940200 12.7732 26.9629 -21.714 26.9629 41.6086 -119.284 -21.714 -119.284 -37.1721 GPRESSAVG: 2940200 12.949 28.4109 -21.1126 26.4836 41.0281 -118.845 -24.0456 -118.476 -36.6248 TIMING: 2940200 CPU: 8764.3, 0.00295637/step Wall: 8764.3, 0.00295637/step, 1.69154 hours remaining, 208.523438 MB of memory in use. ENERGY: 2940200 783.0031 2078.6314 1914.0345 117.3730 -206250.7360 17670.6693 0.0000 0.0000 34252.8726 -149434.1520 299.1389 -183687.0246 -149329.6534 298.9576 -186.3622 -156.9077 557690.0179 5.7365 5.7841 LDB: ============= START OF LOAD BALANCING ============== 8767.85 LDB: ============== END OF LOAD BALANCING =============== 8767.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8767.85 LDB: ============= START OF LOAD BALANCING ============== 8768.15 LDB: Largest compute 4773 load 0.027010 is 22.8% of average load 0.118274 LDB: Average compute 0.001739 is 1.5% of average load 0.118274 LDB: TIME 8768.15 LOAD: AVG 0.118274 MAX 0.203427 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.223 MB LDB: TIME 8768.15 LOAD: AVG 0.118274 MAX 0.203427 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.223 MB LDB: TIME 8768.15 LOAD: AVG 0.118274 MAX 0.203427 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.223 MB LDB: ============== END OF LOAD BALANCING =============== 8768.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8768.16 PRESSURE: 2940400 -137.294 7.17403 -44.3643 7.17444 88.1601 -113.001 -44.3637 -113.001 -98.8241 GPRESSURE: 2940400 -92.0119 36.1879 -86.8401 -39.5657 124.149 -19.3328 -34.7216 -121.587 -73.6245 PRESSAVG: 2940400 -6.07599 -17.31 -17.2686 -17.3099 69.1843 -35.8095 -17.2687 -35.8095 -7.71902 GPRESSAVG: 2940400 -6.4553 -17.5959 -20.0618 -16.8136 69.4268 -33.7843 -16.8307 -37.6758 -8.09217 TIMING: 2940400 CPU: 8764.91, 0.00305526/step Wall: 8764.91, 0.00305526/step, 1.74795 hours remaining, 206.222656 MB of memory in use. ENERGY: 2940400 785.8852 2117.7422 1949.6711 116.6150 -206460.5589 17778.7700 0.0000 0.0000 34269.5549 -149442.3206 299.2845 -183711.8754 -149337.9329 299.0756 -49.3195 -13.8292 557191.8893 18.4631 18.2931 PRESSURE: 2940600 -156.306 150.302 84.3517 150.302 -149.264 -127.981 84.3517 -127.982 -110.73 GPRESSURE: 2940600 -103.296 230.842 79.0383 119.202 -61.4415 -115.438 8.11855 -169.542 -155.531 PRESSAVG: 2940600 33.4471 44.8653 -21.0021 44.8653 -25.5626 -50.1524 -21.0021 -50.1524 -22.1823 GPRESSAVG: 2940600 33.2285 45.5568 -18.9538 42.0841 -24.6947 -48.4184 -20.7991 -49.2033 -22.6455 TIMING: 2940600 CPU: 8765.51, 0.00297285/step Wall: 8765.51, 0.00297285/step, 1.70064 hours remaining, 206.222656 MB of memory in use. ENERGY: 2940600 749.9778 2075.1902 1928.8669 111.9050 -206603.4200 17731.5819 0.0000 0.0000 34401.8745 -149604.0238 300.4401 -184005.8982 -149507.6624 298.7520 -138.7666 -106.7562 556647.1457 -4.7659 -4.7039 PRESSURE: 2940800 -45.7192 46.2546 146.999 46.2545 84.3362 -157.088 147 -157.088 -244.203 GPRESSURE: 2940800 -36.448 5.93885 70.9303 12.6212 136.058 -148.808 209.572 -171.091 -211.721 PRESSAVG: 2940800 -70.9778 -20.8508 44.7377 -20.8509 27.9853 -9.19603 44.7377 -9.19602 -41.2714 GPRESSAVG: 2940800 -71.5824 -21.8436 43.5358 -19.0389 27.672 -11.4146 44.5045 -8.64149 -40.5409 TIMING: 2940800 CPU: 8766.1, 0.00297854/step Wall: 8766.1, 0.00297854/step, 1.70373 hours remaining, 206.222656 MB of memory in use. ENERGY: 2940800 745.5667 2111.1839 1941.2379 116.9689 -206084.0427 17614.6478 0.0000 0.0000 34093.3611 -149461.0763 297.7458 -183554.4374 -149371.4179 298.5376 -68.5286 -37.3704 558125.1676 -28.0879 -28.1504 PRESSURE: 2941000 139.992 -130.984 98.5758 -130.985 65.5662 64.7935 98.5761 64.7941 48.8042 GPRESSURE: 2941000 174.749 -99.7079 177.957 -152.574 47.3777 133.965 12.3326 44.4433 120.535 PRESSAVG: 2941000 30.8544 7.59613 21.5505 7.59607 7.94395 -33.7826 21.5505 -33.7828 -49.3616 GPRESSAVG: 2941000 32.4337 6.34334 20.629 9.86023 7.49184 -32.6967 22.4037 -35.0176 -50.4681 TIMING: 2941000 CPU: 8766.7, 0.00297983/step Wall: 8766.7, 0.00297983/step, 1.70429 hours remaining, 206.257812 MB of memory in use. ENERGY: 2941000 740.1168 2116.2835 1927.6661 111.1984 -206482.5424 17944.3389 0.0000 0.0000 34049.7371 -149593.2017 297.3648 -183642.9388 -149492.2874 298.5699 84.7875 114.2204 555554.1934 -3.5211 -3.5142 PRESSURE: 2941200 72.5026 84.1357 62.7616 84.1369 135.967 71.7404 62.7606 71.7415 29.613 GPRESSURE: 2941200 125.501 52.4704 127.597 127.392 142.672 220.809 49.1887 -4.40807 62.1435 PRESSAVG: 2941200 19.0566 -7.87135 -1.78077 -7.87132 55.4403 -10.4588 -1.78078 -10.4587 -47.2087 GPRESSAVG: 2941200 17.2919 -5.20626 0.27577 -8.64347 55.7591 -12.0646 -2.40459 -8.08775 -46.297 TIMING: 2941200 CPU: 8767.29, 0.00294184/step Wall: 8767.29, 0.00294184/step, 1.6824 hours remaining, 206.257812 MB of memory in use. ENERGY: 2941200 780.3788 2149.4283 1925.9905 114.3148 -206382.8120 17977.8670 0.0000 0.0000 34044.6486 -149390.1839 297.3204 -183434.8325 -149294.8356 298.7110 79.3607 110.1053 556245.7407 9.0961 8.9180 PRESSURE: 2941400 26.44 -15.9181 158.906 -15.9175 -26.8012 8.63355 158.907 8.63254 -322.99 GPRESSURE: 2941400 78.9125 52.9982 157.125 -45.8443 -30.1894 -14.2857 92.6036 20.0215 -269.118 PRESSAVG: 2941400 -38.5507 -7.89774 -17.018 -7.89786 32.8632 -12.6678 -17.0181 -12.6678 -9.29082 GPRESSAVG: 2941400 -38.7537 -9.3437 -15.8745 -8.82787 32.074 -14.9306 -18.8107 -13.0365 -8.63674 TIMING: 2941400 CPU: 8767.87, 0.00294343/step Wall: 8767.87, 0.00294343/step, 1.68315 hours remaining, 206.257812 MB of memory in use. ENERGY: 2941400 735.3197 2124.1406 1958.2596 95.8128 -206246.8711 17617.6214 0.0000 0.0000 34212.7174 -149502.9996 298.7882 -183715.7170 -149408.4099 298.9588 -107.7836 -73.4649 557320.6146 -4.9928 -5.1055 PRESSURE: 2941600 257.559 228.216 94.0428 228.216 190.424 -69.8431 94.0429 -69.8442 112.503 GPRESSURE: 2941600 253.745 281.96 200.462 194.881 263.495 -144.808 58.0962 -73.1048 125.951 PRESSAVG: 2941600 41.3756 12.6145 30.2436 12.6144 -37.9285 -34.6137 30.2437 -34.6136 4.85343 GPRESSAVG: 2941600 41.5871 14.654 27.4507 12.9593 -36.5673 -33.9282 31.8203 -33.8747 3.9992 TIMING: 2941600 CPU: 8768.46, 0.00293516/step Wall: 8768.46, 0.00293516/step, 1.67826 hours remaining, 206.257812 MB of memory in use. ENERGY: 2941600 734.1202 2105.9407 1917.8823 100.9788 -206848.0965 18189.4377 0.0000 0.0000 34265.2664 -149534.4704 299.2471 -183799.7369 -149444.0123 299.3439 186.8285 214.3967 556133.5944 2.7668 3.0063 PRESSURE: 2941800 342.468 173.689 -95.9952 173.688 14.8618 165.466 -95.9954 165.466 199.792 GPRESSURE: 2941800 353.262 195.811 -81.5304 137.803 50.7675 47.3714 -12.9992 171.062 250.113 PRESSAVG: 2941800 -17.6954 13.8372 -61.1378 13.837 63.5141 -21.3367 -61.1378 -21.3366 -2.49777 GPRESSAVG: 2941800 -17.3457 11.5861 -60.1796 13.8344 62.3408 -20.5107 -62.058 -20.757 -1.95067 TIMING: 2941800 CPU: 8769.05, 0.00295712/step Wall: 8769.05, 0.00295712/step, 1.69065 hours remaining, 206.257812 MB of memory in use. ENERGY: 2941800 776.7378 2103.2503 1892.9134 113.7380 -206697.4470 18127.5627 0.0000 0.0000 34067.2483 -149615.9966 297.5178 -183683.2449 -149531.8110 298.7878 185.7075 218.0477 555818.7903 14.4403 14.3482 PRESSURE: 2942000 -295.784 189.45 -86.6511 189.449 -168.578 -127.859 -86.6511 -127.86 -117.651 GPRESSURE: 2942000 -288.296 243.615 -76.5774 46.7983 -135.8 -67.7538 -122.206 -216.292 -47.576 PRESSAVG: 2942000 -8.0748 18.1018 3.3746 18.1018 -32.8853 -32.4615 3.37457 -32.4614 40.1016 GPRESSAVG: 2942000 -8.49638 19.0635 4.49779 18.2627 -32.0861 -30.6467 3.96944 -33.3922 39.8368 TIMING: 2942000 CPU: 8769.64, 0.00295469/step Wall: 8769.64, 0.00295469/step, 1.6891 hours remaining, 206.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2942000 744.2312 2118.3517 1903.4863 104.5834 -206118.0320 17503.5829 0.0000 0.0000 34201.6088 -149542.1877 298.6912 -183743.7965 -149438.5446 298.5074 -194.0041 -157.2239 557897.9295 -0.2862 -0.2486 PRESSURE: 2942200 -150.88 36.2386 -118.514 36.2382 85.3685 -58.5425 -118.515 -58.5406 -168.932 GPRESSURE: 2942200 -107.279 0.907501 -122.689 7.86416 64.9035 -73.6226 -93.6782 -58.3762 -98.6699 PRESSAVG: 2942200 88.6599 -16.1362 -4.23086 -16.1362 -23.013 -26.3875 -4.23086 -26.3873 -41.4611 GPRESSAVG: 2942200 88.6707 -18.2392 -4.12948 -16.7086 -22.2243 -28.9799 -2.3736 -27.1876 -41.9599 TIMING: 2942200 CPU: 8770.23, 0.00294533/step Wall: 8770.23, 0.00294533/step, 1.68358 hours remaining, 206.257812 MB of memory in use. ENERGY: 2942200 708.3581 2107.3621 1927.4802 119.7627 -206301.0520 17704.8610 0.0000 0.0000 34298.0442 -149435.1837 299.5334 -183733.2279 -149333.6363 298.0556 -78.1478 -47.0153 556917.6978 8.0619 8.1621 PRESSURE: 2942400 -23.2506 -116.774 -46.5983 -116.774 55.0022 74.9009 -46.5977 74.8982 -70.1779 GPRESSURE: 2942400 39.5182 -139.685 53.7327 -100.678 9.37816 -29.2284 -162.798 103.622 10.0924 PRESSAVG: 2942400 9.232 -32.2885 -22.0841 -32.2886 21.3913 -59.7908 -22.0841 -59.7908 -10.4042 GPRESSAVG: 2942400 9.30893 -31.6739 -21.0394 -31.2087 20.3131 -57.7284 -24.7403 -60.0554 -9.26847 TIMING: 2942400 CPU: 8770.82, 0.00296125/step Wall: 8770.82, 0.00296125/step, 1.69252 hours remaining, 206.257812 MB of memory in use. ENERGY: 2942400 721.5714 2108.4234 1938.3600 111.6397 -206192.0308 17801.8514 0.0000 0.0000 34052.7940 -149457.3909 297.3915 -183510.1849 -149358.9870 298.8350 -12.8088 19.6629 557407.6356 6.7397 6.7845 PRESSURE: 2942600 64.6245 18.7504 71.7038 18.7499 39.0517 2.15794 71.7029 2.15804 -140.726 GPRESSURE: 2942600 102.356 59.0812 57.5347 -99.2969 90.4246 64.8323 46.9114 -20.5706 -139.529 PRESSAVG: 2942600 17.3543 -42.8521 -5.49288 -42.8521 52.9922 -20.2704 -5.49293 -20.2703 -74.6084 GPRESSAVG: 2942600 17.4609 -41.9148 -5.47139 -43.6289 54.1673 -20.2075 -3.49427 -19.7212 -76.4219 TIMING: 2942600 CPU: 8771.42, 0.00296672/step Wall: 8771.42, 0.00296672/step, 1.69548 hours remaining, 206.257812 MB of memory in use. ENERGY: 2942600 723.1090 2079.0956 1963.7985 105.0117 -206311.9177 17870.9637 0.0000 0.0000 34022.6878 -149547.2515 297.1286 -183569.9392 -149452.6169 298.2100 -12.3499 17.7506 556605.6249 -1.4206 -1.5979 PRESSURE: 2942800 -54.4026 -54.1098 152.318 -54.1095 64.2018 46.6564 152.318 46.6545 123.05 GPRESSURE: 2942800 -62.1479 34.0437 129.037 7.3664 115.679 59.3651 228.63 49.4523 168.329 PRESSAVG: 2942800 44.4939 -62.5938 -5.41718 -62.5939 39.7944 -6.66875 -5.41725 -6.6687 -68.2593 GPRESSAVG: 2942800 44.0521 -63.0812 -7.60856 -59.9417 39.6049 -8.35815 -5.24152 -5.49578 -67.8851 TIMING: 2942800 CPU: 8772.01, 0.00298483/step Wall: 8772.01, 0.00298484/step, 1.70567 hours remaining, 206.257812 MB of memory in use. ENERGY: 2942800 759.3823 2115.4632 1932.1408 106.6565 -206854.9213 18062.1962 0.0000 0.0000 34287.2259 -149591.8565 299.4389 -183879.0824 -149491.4940 298.9989 44.2829 73.9533 557049.5498 5.3430 5.2573 PRESSURE: 2943000 -109.705 139.768 -165.417 139.768 -270.709 -273.757 -165.417 -273.756 -212.934 GPRESSURE: 2943000 -58.9319 259.337 -111.013 124.294 -249.748 -294.408 -190.801 -282.669 -190.802 PRESSAVG: 2943000 -26.2651 -4.49747 -4.65991 -4.49747 63.2037 -26.7691 -4.65989 -26.7691 -39.344 GPRESSAVG: 2943000 -24.9821 -4.37432 -3.79729 -4.57641 61.7641 -26.2482 -6.78273 -28.685 -39.3173 TIMING: 2943000 CPU: 8772.61, 0.00296778/step Wall: 8772.61, 0.00296778/step, 1.69576 hours remaining, 206.257812 MB of memory in use. ENERGY: 2943000 769.3327 2179.7844 1931.6856 107.5869 -206153.0021 17583.8443 0.0000 0.0000 33964.5613 -149616.2070 296.6210 -183580.7683 -149517.5113 298.6560 -197.7828 -166.4940 556748.8851 -0.8018 -0.8451 PRESSURE: 2943200 64.1411 122.404 181.174 122.406 9.24962 -20.3682 181.174 -20.368 241.753 GPRESSURE: 2943200 106.764 31.1321 240.069 181.165 87.3974 50.963 91.9906 -39.1143 221.876 PRESSAVG: 2943200 42.1582 12.8292 -31.8948 12.8293 -20.7798 -9.68357 -31.8949 -9.68365 -10.1714 GPRESSAVG: 2943200 41.4139 14.152 -33.8643 10.014 -20.7587 -9.04572 -29.3962 -9.50066 -9.36285 TIMING: 2943200 CPU: 8773.21, 0.00302598/step Wall: 8773.21, 0.00302598/step, 1.72884 hours remaining, 206.257812 MB of memory in use. ENERGY: 2943200 721.1128 2145.0911 1943.8200 113.1350 -206578.5709 17880.7436 0.0000 0.0000 34145.4955 -149629.1728 298.2011 -183774.6683 -149536.5035 298.7203 105.0479 138.6793 556069.3681 3.7357 3.7641 PRESSURE: 2943400 -110.143 41.7434 -70.6548 41.7429 -111.296 87.4198 -70.6546 87.4189 275.205 GPRESSURE: 2943400 -90.2424 80.9239 5.69296 -11.8768 -38.118 94.3205 3.27958 43.4602 275.16 PRESSAVG: 2943400 14.172 64.4871 59.1264 64.4871 -0.894245 -35.3139 59.1264 -35.314 -22.1111 GPRESSAVG: 2943400 12.5936 64.9441 59.5932 63.9897 -0.570088 -36.0878 60.7323 -32.7987 -20.7675 TIMING: 2943400 CPU: 8773.81, 0.00299619/step Wall: 8773.81, 0.00299619/step, 1.71166 hours remaining, 206.257812 MB of memory in use. ENERGY: 2943400 747.4978 2069.5369 1930.3322 111.6569 -206490.0488 17714.0246 0.0000 0.0000 34204.4196 -149712.5808 298.7157 -183917.0005 -149610.1018 298.2967 17.9221 48.9332 556310.6561 -2.9444 -2.9146 PRESSURE: 2943600 -218.906 115.863 -40.4876 115.864 -414.982 35.5428 -40.4871 35.5423 -243.781 GPRESSURE: 2943600 -128.66 65.589 -41.006 115.25 -439.985 47.6072 -59.6904 -8.91539 -208.827 PRESSAVG: 2943600 -29.7124 5.48293 22.2584 5.48295 24.5679 2.75729 22.2585 2.75732 22.7906 GPRESSAVG: 2943600 -28.0364 5.28565 23.8147 5.23779 25.1508 3.92637 21.2237 0.422247 20.6588 TIMING: 2943600 CPU: 8774.41, 0.00297569/step Wall: 8774.41, 0.00297569/step, 1.69978 hours remaining, 206.257812 MB of memory in use. ENERGY: 2943600 780.7521 2063.7007 1951.9181 109.9023 -206279.0853 17662.1060 0.0000 0.0000 34186.4873 -149524.2186 298.5591 -183710.7059 -149427.5343 298.6705 -292.5564 -259.1574 560708.2417 5.8820 5.9244 PRESSURE: 2943800 121.386 19.4294 11.9305 19.4297 245.042 -210.096 11.9294 -210.096 65.8374 GPRESSURE: 2943800 178.713 -27.6759 -93.4408 45.5401 187.166 -141.804 -19.0789 -230.167 152.357 PRESSAVG: 2943800 14.709 29.1714 -34.2105 29.1714 -67.777 -17.5536 -34.2105 -17.5535 6.19086 GPRESSAVG: 2943800 15.4442 26.8609 -34.7172 30.0322 -69.451 -16.808 -34.0449 -18.8554 7.69223 TIMING: 2943800 CPU: 8775.01, 0.00298661/step Wall: 8775.01, 0.00298661/step, 1.70585 hours remaining, 206.257812 MB of memory in use. ENERGY: 2943800 742.2108 2122.7047 1949.7488 119.1078 -207162.4686 18399.0853 0.0000 0.0000 34225.7194 -149603.8918 298.9017 -183829.6112 -149506.2642 298.1106 144.0887 172.7449 558797.0192 -15.6257 -15.4382 PRESSURE: 2944000 -247.952 11.4305 -34.8723 11.4299 -181.812 -135.967 -34.8714 -135.969 -10.2458 GPRESSURE: 2944000 -190.938 1.70076 -27.2748 13.3789 -194.353 -33.5119 -99.8835 -103.212 36.0865 PRESSAVG: 2944000 -0.627082 31.0465 -1.81342 31.0465 0.116745 -15.5346 -1.81337 -15.5347 5.57002 GPRESSAVG: 2944000 -2.10172 34.2802 -0.0795583 31.2852 1.41501 -17.4347 -1.95337 -14.3309 5.79774 TIMING: 2944000 CPU: 8775.6, 0.00295219/step Wall: 8775.6, 0.00295219/step, 1.68603 hours remaining, 206.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2944000 760.3376 2162.7260 1952.3221 111.0980 -206346.9813 17685.6853 0.0000 0.0000 34079.6494 -149595.1630 297.6261 -183674.8124 -149500.1783 298.4581 -146.6697 -116.4016 558267.0153 1.6866 1.7037 PRESSURE: 2944200 -198.161 -144.973 -2.84825 -144.974 -24.1791 -98.0376 -2.84786 -98.0371 -38.913 GPRESSURE: 2944200 -115.911 -18.728 79.7416 -218.292 15.7558 -165.355 16.7902 -36.8923 -82.6205 PRESSAVG: 2944200 46.4464 -20.3611 6.05295 -20.361 -29.1845 -38.2949 6.05283 -38.295 -22.7345 GPRESSAVG: 2944200 46.0498 -21.0565 5.62732 -20.7194 -28.7225 -35.4083 4.14699 -39.7218 -22.9747 TIMING: 2944200 CPU: 8776.19, 0.00296116/step Wall: 8776.19, 0.00296116/step, 1.69099 hours remaining, 206.257812 MB of memory in use. ENERGY: 2944200 761.3050 2163.2668 1927.0242 118.8782 -206979.2846 17905.3997 0.0000 0.0000 34295.8750 -149807.5356 299.5144 -184103.4106 -149708.4312 298.1555 -87.0844 -60.9252 556943.6283 -1.8242 -1.8825 LDB: ============= START OF LOAD BALANCING ============== 8779.74 LDB: ============== END OF LOAD BALANCING =============== 8779.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8779.74 LDB: ============= START OF LOAD BALANCING ============== 8780.04 LDB: Largest compute 4773 load 0.026897 is 22.8% of average load 0.118220 LDB: Average compute 0.001727 is 1.5% of average load 0.118220 LDB: TIME 8780.04 LOAD: AVG 0.11822 MAX 0.204309 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 8780.04 LOAD: AVG 0.11822 MAX 0.204309 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.738 MB LDB: TIME 8780.04 LOAD: AVG 0.11822 MAX 0.204309 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8780.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8780.05 PRESSURE: 2944400 123.045 -3.40007 -6.78553 -3.40184 -174.158 1.30396 -6.7866 1.30537 -93.7105 GPRESSURE: 2944400 127.628 -28.0848 28.4826 39.2028 -143.575 41.7752 -38.9546 -68.0361 -29.5406 PRESSAVG: 2944400 -30.331 -23.3475 23.4943 -23.3474 -26.475 -7.8708 23.4942 -7.87074 23.7331 GPRESSAVG: 2944400 -31.5667 -25.427 22.2163 -22.6583 -26.6578 -9.70073 24.4162 -6.34584 25.3773 TIMING: 2944400 CPU: 8776.8, 0.00303996/step Wall: 8776.8, 0.00303996/step, 1.73582 hours remaining, 207.246094 MB of memory in use. ENERGY: 2944400 750.6134 2135.8954 1958.1222 117.0586 -206988.0234 18071.0275 0.0000 0.0000 34228.9092 -149726.3971 298.9296 -183955.3062 -149630.6449 298.1251 -48.2747 -15.1628 557898.5802 -11.0243 -10.9491 PRESSURE: 2944600 -20.6918 5.05791 -87.786 5.05816 65.6599 112.228 -87.7861 112.227 192.164 GPRESSURE: 2944600 21.2494 3.39795 -43.005 -55.7376 90.0706 49.4642 -65.7625 152.387 228.321 PRESSAVG: 2944600 -19.219 -22.9562 40.3854 -22.9563 -25.9642 7.52825 40.3854 7.52829 40.5909 GPRESSAVG: 2944600 -16.484 -22.9195 40.5878 -22.7385 -26.6308 9.52638 41.9114 7.12494 39.1954 TIMING: 2944600 CPU: 8777.39, 0.00298469/step Wall: 8777.39, 0.00298469/step, 1.70409 hours remaining, 207.246094 MB of memory in use. ENERGY: 2944600 760.1002 2104.6301 1958.5974 119.4755 -206731.2205 18061.7805 0.0000 0.0000 34060.7976 -149665.8392 297.4614 -183726.6368 -149568.6476 297.8908 79.0441 113.2135 557913.3931 -1.5308 -1.3065 PRESSURE: 2944800 -1.47679 -86.3762 54.2268 -86.3753 108.472 134.394 54.2247 134.394 -142.368 GPRESSURE: 2944800 14.3549 -142.49 -2.74191 -107.428 101.962 182.471 22.4656 102.505 -50.9004 PRESSAVG: 2944800 -44.5591 -19.5659 -10.6041 -19.5659 12.1735 53.9374 -10.6041 53.9374 2.82992 GPRESSAVG: 2944800 -46.5531 -17.979 -12.5678 -18.9949 14.0252 52.9395 -11.6415 53.6357 3.03575 TIMING: 2944800 CPU: 8777.99, 0.00297436/step Wall: 8777.99, 0.00297436/step, 1.69803 hours remaining, 207.246094 MB of memory in use. ENERGY: 2944800 739.6338 2082.9434 1955.2537 104.9734 -206782.4809 17952.5364 0.0000 0.0000 34050.9681 -149896.1720 297.3756 -183947.1402 -149802.1798 297.4363 -11.7909 21.8054 557332.5059 -9.8519 -9.8307 PRESSURE: 2945000 21.618 -89.922 138.778 -89.9214 13.2863 -18.5374 138.778 -18.5374 -138.693 GPRESSURE: 2945000 113.949 -33.4654 169.647 -66.1872 -15.6618 -13.6247 41.8707 37.8848 -90.0202 PRESSAVG: 2945000 -37.3999 -15.3323 13.5756 -15.3323 37.7291 46.9429 13.5756 46.9429 11.6152 GPRESSAVG: 2945000 -36.1034 -16.1934 13.6944 -14.9424 36.3208 46.6533 12.9841 45.8134 11.3766 TIMING: 2945000 CPU: 8778.58, 0.00298229/step Wall: 8778.58, 0.00298229/step, 1.70239 hours remaining, 207.246094 MB of memory in use. ENERGY: 2945000 748.3184 2109.1662 1933.4839 106.0903 -206618.7138 17971.7912 0.0000 0.0000 33924.0718 -149825.7919 296.2674 -183749.8637 -149731.0631 296.7296 -34.5961 2.7558 558131.0394 3.9815 3.8647 PRESSURE: 2945200 -137.862 76.0274 164.444 76.0267 -223.504 -13.2859 164.446 -13.2859 11.6265 GPRESSURE: 2945200 -155.288 91.6741 112.058 -11.7348 -141.88 -7.41234 189.085 50.897 55.0914 PRESSAVG: 2945200 8.06713 -12.4863 0.310062 -12.4864 -42.5962 1.44012 0.310073 1.44011 44.6972 GPRESSAVG: 2945200 7.87267 -13.4036 0.780649 -11.9644 -41.3224 2.35493 1.63734 2.61816 43.8104 TIMING: 2945200 CPU: 8779.18, 0.00295831/step Wall: 8779.18, 0.00295831/step, 1.68854 hours remaining, 207.246094 MB of memory in use. ENERGY: 2945200 718.3714 2078.6371 1955.4738 111.8675 -206858.4636 17888.7337 0.0000 0.0000 34251.2473 -149854.1330 299.1247 -184105.3802 -149761.9253 297.6152 -116.5797 -80.6922 557940.8177 3.3894 3.4536 PRESSURE: 2945400 -223.313 136.302 125.992 136.302 -392.633 -80.0241 125.992 -80.0241 27.8924 GPRESSURE: 2945400 -161.274 149.597 218.16 50.981 -399.08 -69.6905 100.606 -87.3008 71.493 PRESSAVG: 2945400 -9.57202 13.3773 22.2113 13.3773 -44.2424 56.2616 22.2113 56.2616 25.4746 GPRESSAVG: 2945400 -10.0931 14.8432 23.123 11.2749 -44.9482 53.5087 21.9472 55.7755 26.5568 TIMING: 2945400 CPU: 8779.77, 0.00295986/step Wall: 8779.77, 0.00295986/step, 1.68926 hours remaining, 207.246094 MB of memory in use. ENERGY: 2945400 751.0026 2117.6885 1944.1258 103.1296 -206694.9029 17787.9380 0.0000 0.0000 33913.8821 -150077.1363 296.1784 -183991.0184 -149990.8446 296.9214 -196.0176 -162.9536 557793.6475 -9.4466 -9.4949 PRESSURE: 2945600 -216.503 -40.9919 -56.6496 -40.9912 1.30002 57.6165 -56.6497 57.6161 -1.60729 GPRESSURE: 2945600 -243.05 -70.3548 -57.8246 -68.3071 37.9107 22.7596 33.1029 123.451 80.6214 PRESSAVG: 2945600 2.75684 -45.7869 11.4296 -45.7868 -47.5228 -7.49292 11.4296 -7.49287 -3.97656 GPRESSAVG: 2945600 2.24827 -45.8663 10.3682 -44.1575 -47.5661 -6.90984 11.5 -6.55184 -3.41573 TIMING: 2945600 CPU: 8780.36, 0.00297338/step Wall: 8780.36, 0.00297338/step, 1.69681 hours remaining, 207.503906 MB of memory in use. ENERGY: 2945600 778.2880 2062.2741 1944.0753 112.0983 -207001.8735 18074.1325 0.0000 0.0000 33850.6359 -150180.3693 295.6260 -184031.0052 -150083.5507 296.4990 -72.2702 -41.5060 557694.6897 -16.2475 -16.2445 PRESSURE: 2945800 -96.1306 -130.233 -17.0242 -130.234 289.342 -9.47257 -17.0244 -9.47268 185.705 GPRESSURE: 2945800 -59.3807 -141.83 -36.4581 -116.764 354.895 -13.3132 59.3545 -69.7549 194.215 PRESSAVG: 2945800 36.7235 20.8403 -17.0137 20.8403 -4.77079 -6.89031 -17.0137 -6.89023 -26.4643 GPRESSAVG: 2945800 38.1692 19.6199 -15.4267 20.9581 -4.09614 -6.60531 -16.9012 -6.47701 -28.4566 TIMING: 2945800 CPU: 8780.96, 0.00297543/step Wall: 8780.96, 0.00297543/step, 1.69781 hours remaining, 207.503906 MB of memory in use. ENERGY: 2945800 751.9278 2094.6997 1934.0755 110.1838 -206936.3221 18105.2752 0.0000 0.0000 33955.1111 -149985.0490 296.5384 -183940.1602 -149892.3838 296.1760 126.3055 163.2432 556928.0307 1.8295 1.8722 PRESSURE: 2946000 101.225 -52.9902 -17.5178 -52.9894 63.0491 136.993 -17.5187 136.992 -142.406 GPRESSURE: 2946000 147.131 -64.8902 -56.3262 -65.6967 45.1047 101.355 54.2992 156.978 -84.4144 PRESSAVG: 2946000 37.2146 -7.45428 3.03129 -7.45417 -96.969 -43.1888 3.03131 -43.1888 53.4207 GPRESSAVG: 2946000 38.3304 -5.99171 1.72717 -8.95329 -97.1889 -44.1031 2.794 -42.6592 52.7284 TIMING: 2946000 CPU: 8781.56, 0.0029921/step Wall: 8781.56, 0.0029921/step, 1.70716 hours remaining, 207.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2946000 702.2426 2156.2080 1901.3519 109.3627 -206674.4407 17909.4804 0.0000 0.0000 34145.7416 -149750.0535 298.2033 -183895.7951 -149648.5422 297.3826 7.2895 35.9403 555677.2365 -2.1113 -2.0433 PRESSURE: 2946200 -144.472 -157.363 107.742 -157.362 -342.211 50.759 107.742 50.7579 -98.9261 GPRESSURE: 2946200 -145.903 -225.443 162.258 -87.7104 -282.459 127.293 87.3816 45.7937 -58.6777 PRESSAVG: 2946200 34.9853 -26.4072 -45.1369 -26.4072 -107.876 57.6414 -45.1369 57.6414 78.5852 GPRESSAVG: 2946200 33.0585 -27.6999 -43.9511 -23.4254 -107.762 57.4392 -45.9927 55.5069 80.1171 TIMING: 2946200 CPU: 8782.15, 0.00297883/step Wall: 8782.15, 0.00297883/step, 1.69942 hours remaining, 207.503906 MB of memory in use. ENERGY: 2946200 734.3554 2165.9382 1940.3222 106.5109 -206538.5728 17539.0752 0.0000 0.0000 34263.9651 -149788.4059 299.2357 -184052.3710 -149694.4008 297.4071 -195.2032 -162.3465 556213.7119 1.8980 1.8046 PRESSURE: 2946400 -61.1883 108.842 -104.904 108.842 64.9917 146.827 -104.903 146.826 65.6582 GPRESSURE: 2946400 -47.8385 122.213 -175.27 130.867 79.4642 201.124 -115.616 204.341 136.354 PRESSAVG: 2946400 22.9517 -9.43759 16.7718 -9.43758 -66.9882 61.8817 16.7719 61.8815 40.8301 GPRESSAVG: 2946400 23.3685 -9.37294 13.1197 -13.0232 -67.2529 62.656 17.6486 61.4413 41.0437 TIMING: 2946400 CPU: 8782.74, 0.00296516/step Wall: 8782.74, 0.00296516/step, 1.69146 hours remaining, 207.503906 MB of memory in use. ENERGY: 2946400 757.1065 2068.4399 1919.8800 108.2724 -206572.5473 17811.6731 0.0000 0.0000 34194.5960 -149712.5794 298.6299 -183907.1754 -149612.2042 297.0842 23.1539 55.9932 556952.2538 -1.0688 -0.9469 PRESSURE: 2946600 68.5713 115.456 -163.713 115.456 -144.707 -67.4184 -163.712 -67.4181 -165.94 GPRESSURE: 2946600 19.7547 19.0798 -166.192 130.318 -65.1411 -134.728 -157.419 -62.3804 -102.902 PRESSAVG: 2946600 30.392 23.402 -73.7533 23.4019 -20.9694 3.87807 -73.7533 3.87798 21.6669 GPRESSAVG: 2946600 29.5205 25.7632 -69.9201 21.8777 -20.2056 4.91328 -74.9305 5.22065 21.2105 TIMING: 2946600 CPU: 8783.34, 0.00296365/step Wall: 8783.34, 0.00296365/step, 1.69044 hours remaining, 207.503906 MB of memory in use. ENERGY: 2946600 721.0792 2117.6341 1949.8989 107.5863 -206390.2619 17735.3833 0.0000 0.0000 34109.8314 -149648.8487 297.8896 -183758.6801 -149558.4620 298.1448 -80.6918 -49.4294 557488.9048 10.3632 10.1751 PRESSURE: 2946800 -91.2204 -108.752 -66.7511 -108.752 384.223 113.048 -66.7516 113.046 -134.441 GPRESSURE: 2946800 -60.6759 -91.6126 -71.1291 -132.231 416.49 65.9018 -1.70928 171.347 -110.362 PRESSAVG: 2946800 -22.4852 26.612 -29.729 26.612 21.9381 2.04158 -29.729 2.04153 8.88137 GPRESSAVG: 2946800 -22.3509 23.8897 -30.7028 27.7099 22.2774 1.63931 -30.7599 1.14192 8.43867 TIMING: 2946800 CPU: 8783.93, 0.00298417/step Wall: 8783.93, 0.00298417/step, 1.70197 hours remaining, 207.503906 MB of memory in use. ENERGY: 2946800 742.9218 2081.1255 1950.9209 113.2798 -206448.1030 17883.5109 0.0000 0.0000 34041.5400 -149634.8041 297.2932 -183676.3440 -149530.1189 297.3461 52.8541 81.8172 557013.3397 2.7781 2.7884 PRESSURE: 2947000 158.649 25.5709 -42.6384 25.5715 -60.8913 129.951 -42.6385 129.951 37.8261 GPRESSURE: 2947000 184.949 133.42 -26.1602 -80.888 -1.2863 99.6608 91.61 82.5024 45.966 PRESSAVG: 2947000 -25.7315 -7.19976 -23.2884 -7.1998 8.71533 -19.2702 -23.2884 -19.2701 -7.11326 GPRESSAVG: 2947000 -24.8769 -4.79135 -21.289 -8.12208 7.54919 -20.1514 -22.6461 -18.2721 -6.75915 TIMING: 2947000 CPU: 8784.53, 0.00296474/step Wall: 8784.53, 0.00296474/step, 1.69073 hours remaining, 207.503906 MB of memory in use. ENERGY: 2947000 731.1133 2111.4280 1917.5873 117.2014 -206301.3249 17927.5653 0.0000 0.0000 33977.7449 -149518.6846 296.7361 -183496.4296 -149420.8680 297.1333 45.1947 76.5429 559662.4721 -8.0432 -8.0289 PRESSURE: 2947200 -63.5137 -107.51 83.7743 -107.51 -140.714 174.544 83.7727 174.545 -94.1969 GPRESSURE: 2947200 -43.606 -61.8215 147.831 -82.8464 -120.925 128.426 60.574 241.259 -47.5224 PRESSAVG: 2947200 23.6415 35.2668 5.45386 35.2667 28.2508 69.4894 5.45383 69.4895 12.7681 GPRESSAVG: 2947200 24.1537 33.3659 4.27959 37.6002 28.1117 68.4443 6.40145 70.0975 12.181 TIMING: 2947200 CPU: 8785.12, 0.00298157/step Wall: 8785.12, 0.00298157/step, 1.70016 hours remaining, 207.503906 MB of memory in use. ENERGY: 2947200 724.4099 2106.9301 1946.6116 110.0904 -206359.8504 17731.1635 0.0000 0.0000 34237.8763 -149502.7687 299.0079 -183740.6450 -149403.8188 298.3405 -99.4749 -70.6845 558338.6238 21.5535 21.4821 PRESSURE: 2947400 -130.833 51.0922 -145.02 51.092 93.8774 102.215 -145.02 102.214 -61.2972 GPRESSURE: 2947400 -56.5207 46.8927 -98.2752 28.2793 84.8951 147.967 -137.74 115.363 -25.0454 PRESSAVG: 2947400 9.69064 -0.276693 14.248 -0.276676 17.4447 17.1302 14.248 17.1303 -3.48528 GPRESSAVG: 2947400 10.4354 -1.84307 13.8676 0.82553 17.7404 18.3347 14.1215 16.1455 -4.0196 TIMING: 2947400 CPU: 8785.72, 0.00297841/step Wall: 8785.72, 0.00297841/step, 1.69819 hours remaining, 207.503906 MB of memory in use. ENERGY: 2947400 733.0106 2127.9093 1933.1462 108.6063 -206223.6040 17682.0549 0.0000 0.0000 34311.0114 -149327.8653 299.6466 -183638.8766 -149232.2816 299.2694 -32.7509 1.1097 557093.1637 7.8833 8.0521 PRESSURE: 2947600 137.894 17.818 7.61032 17.8191 -103.973 152.306 7.61091 152.306 -351.251 GPRESSURE: 2947600 214.558 16.9107 -16.6036 110.504 -106.703 180.901 78.6937 176.154 -332.256 PRESSAVG: 2947600 60.8363 -8.45434 25.3324 -8.45431 13.2257 26.0438 25.3324 26.0439 -47.8551 GPRESSAVG: 2947600 60.267 -6.20861 24.9802 -8.99758 13.183 27.0486 26.3594 26.5319 -47.3467 TIMING: 2947600 CPU: 8786.31, 0.00297062/step Wall: 8786.31, 0.00297062/step, 1.69358 hours remaining, 207.503906 MB of memory in use. ENERGY: 2947600 715.2751 2060.2993 1940.8115 133.8253 -206083.7955 17656.2904 0.0000 0.0000 34226.8837 -149350.4101 298.9119 -183577.2938 -149254.4232 299.4565 -105.7767 -74.8004 558646.2882 8.7356 8.7011 PRESSURE: 2947800 146.045 106.961 17.2154 106.961 -89.1923 -53.3394 17.2139 -53.3378 87.7334 GPRESSURE: 2947800 171.434 128.477 -31.2761 94.8124 -65.2851 -34.4532 15.799 -41.869 129.481 PRESSAVG: 2947800 7.67698 -20.236 4.30768 -20.2361 -26.0894 -3.37944 4.30768 -3.37955 -23.8811 GPRESSAVG: 2947800 7.46478 -20.2119 5.36836 -20.3409 -26.0022 -4.41138 2.99391 -1.78872 -23.67 TIMING: 2947800 CPU: 8786.9, 0.00293582/step Wall: 8786.9, 0.00293582/step, 1.67358 hours remaining, 207.503906 MB of memory in use. ENERGY: 2947800 738.8388 2108.0644 1892.2255 104.7396 -205994.1163 17801.9813 0.0000 0.0000 34060.5537 -149287.7131 297.4593 -183348.2668 -149185.9318 299.2185 48.1954 78.5433 557893.8103 -14.0978 -14.0691 PRESSURE: 2948000 -57.0133 -73.307 0.495695 -73.3071 83.2924 3.64145 0.495704 3.64239 -173.873 GPRESSURE: 2948000 -36.304 29.9087 -64.7019 -125.286 142.36 24.7529 116.068 25.556 -136.494 PRESSAVG: 2948000 50.2502 45.2853 -24.549 45.2853 -35.892 -30.2375 -24.549 -30.2374 -5.70189 GPRESSAVG: 2948000 49.2762 44.6906 -24.6861 44.102 -35.1299 -30.8615 -26.3231 -31.4367 -5.77875 TIMING: 2948000 CPU: 8787.49, 0.00295355/step Wall: 8787.49, 0.00295355/step, 1.68352 hours remaining, 207.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2948000 735.0601 2060.9604 1898.1383 104.6465 -206066.7735 17657.7184 0.0000 0.0000 34387.8899 -149222.3599 300.3180 -183610.2498 -149124.7365 299.3001 -49.1978 -10.1459 557705.6945 2.8854 2.7892 PRESSURE: 2948200 250.166 -17.5372 205.08 -17.537 96.7837 -63.6677 205.08 -63.6673 109.705 GPRESSURE: 2948200 296.061 -37.3998 125.396 33.2963 107.474 -44.4975 135.599 -6.40952 137.68 PRESSAVG: 2948200 51.6694 2.51216 17.504 2.51218 -17.3452 11.8788 17.5039 11.8788 -45.1584 GPRESSAVG: 2948200 51.6197 2.62087 16.1208 1.69397 -17.7779 12.5552 20.6738 11.8632 -45.2976 TIMING: 2948200 CPU: 8788.08, 0.00294636/step Wall: 8788.08, 0.00294636/step, 1.67926 hours remaining, 207.503906 MB of memory in use. ENERGY: 2948200 758.4155 2101.8899 1929.1261 112.4153 -206631.0425 18235.1959 0.0000 0.0000 34165.3831 -149328.6167 298.3748 -183493.9999 -149230.7819 299.1718 152.2183 180.4051 557642.0103 -3.6114 -3.8186 LDB: ============= START OF LOAD BALANCING ============== 8791.63 LDB: ============== END OF LOAD BALANCING =============== 8791.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8791.63 LDB: ============= START OF LOAD BALANCING ============== 8791.93 LDB: Largest compute 4773 load 0.027506 is 23.3% of average load 0.118238 LDB: Average compute 0.001740 is 1.5% of average load 0.118238 LDB: TIME 8791.93 LOAD: AVG 0.118238 MAX 0.202287 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 8791.93 LOAD: AVG 0.118238 MAX 0.202287 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.305 MB LDB: TIME 8791.93 LOAD: AVG 0.118238 MAX 0.202287 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.305 MB LDB: ============== END OF LOAD BALANCING =============== 8791.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8791.94 PRESSURE: 2948400 5.4604 70.8057 91.2463 70.808 -73.2643 27.3989 91.2466 27.3991 -92.7735 GPRESSURE: 2948400 44.5806 104.069 126.556 113.399 -4.91443 22.4464 128.313 -21.0517 -95.4784 PRESSAVG: 2948400 14.2917 24.3143 68.6809 24.3142 -16.406 -15.1916 68.6809 -15.1915 55.3152 GPRESSAVG: 2948400 15.1524 22.977 68.4353 26.1456 -16.237 -17.5756 69.4678 -14.9482 54.9147 TIMING: 2948400 CPU: 8788.69, 0.00304158/step Wall: 8788.69, 0.00304158/step, 1.73336 hours remaining, 206.734375 MB of memory in use. ENERGY: 2948400 784.1158 2074.6877 1957.0146 106.1795 -206149.5253 17872.0089 0.0000 0.0000 34090.2584 -149265.2605 297.7187 -183355.5189 -149172.2542 298.9365 -53.5258 -18.6041 558085.5341 17.7337 17.9434 PRESSURE: 2948600 180.761 -109.329 -95.6901 -109.328 7.52552 97.0817 -95.6905 97.0799 28.595 GPRESSURE: 2948600 208.41 -71.8025 -110.241 -173.396 29.053 57.4135 -81.6013 145.314 72.3326 PRESSAVG: 2948600 10.4818 5.30018 53.2694 5.30019 -31.7303 -0.0222365 53.2694 -0.0221896 -16.4295 GPRESSAVG: 2948600 10.6879 6.07072 53.9053 5.33885 -32.7724 3.04234 52.3951 -1.01577 -15.3033 TIMING: 2948600 CPU: 8789.28, 0.00296381/step Wall: 8789.28, 0.00296381/step, 1.68888 hours remaining, 206.734375 MB of memory in use. ENERGY: 2948600 763.6519 2065.4395 1949.8043 128.0902 -206194.1544 17933.8564 0.0000 0.0000 34102.2210 -149251.0912 297.8232 -183353.3122 -149158.2021 299.0893 72.2940 103.2652 558190.1046 -12.5593 -12.4626 PRESSURE: 2948800 243.954 -66.5454 110.445 -66.5453 -152.983 148.54 110.445 148.539 -103.802 GPRESSURE: 2948800 237.274 -34.4733 59.0217 -68.1436 -79.5061 122.744 130.83 102.072 -73.616 PRESSAVG: 2948800 42.3983 18.6551 -35.8122 18.6551 -4.0448 32.8246 -35.8123 32.8246 13.0694 GPRESSAVG: 2948800 42.4227 17.5327 -35.9224 17.3348 -3.3417 31.6863 -35.7741 32.7469 12.0026 TIMING: 2948800 CPU: 8789.87, 0.00296125/step Wall: 8789.87, 0.00296125/step, 1.68725 hours remaining, 206.734375 MB of memory in use. ENERGY: 2948800 741.6742 2073.3679 1935.0058 109.8250 -206087.2593 17829.7976 0.0000 0.0000 34244.7524 -149152.8364 299.0679 -183397.5888 -149056.6721 299.2870 -4.2771 28.0506 558789.2093 17.1409 17.0279 PRESSURE: 2949000 -56.3334 -64.0281 117.958 -64.0286 522.742 -29.9754 117.956 -29.9747 439.519 GPRESSURE: 2949000 42.326 -46.8576 22.3495 -67.0217 495.345 -56.2859 211.998 -11.5885 472.963 PRESSAVG: 2949000 -30.3896 25.8074 10.7003 25.8074 23.5151 16.7357 10.7003 16.7358 -7.13694 GPRESSAVG: 2949000 -30.6229 27.0619 10.4769 26.3677 23.6788 16.7034 9.05446 17.476 -6.96446 TIMING: 2949000 CPU: 8790.47, 0.00298063/step Wall: 8790.47, 0.00298063/step, 1.69813 hours remaining, 206.734375 MB of memory in use. ENERGY: 2949000 738.3110 2094.1071 1941.2090 123.2999 -206399.5540 18236.6514 0.0000 0.0000 34164.7351 -149101.2406 298.3691 -183265.9757 -149003.6628 299.2390 301.9757 336.8780 556948.4414 -4.6705 -4.6362 PRESSURE: 2949200 -98.5938 136.691 -45.4331 136.69 -430.586 -216.648 -45.4337 -216.647 -518.757 GPRESSURE: 2949200 -81.9846 138.809 -45.6665 145.621 -398.673 -143.868 -149.475 -230.341 -464.506 PRESSAVG: 2949200 60.8168 -57.7632 23.2156 -57.7632 -47.4502 -4.01543 23.2155 -4.01551 -61.2755 GPRESSAVG: 2949200 60.3651 -58.5858 24.4147 -58.3761 -48.0751 -3.1767 25.1935 -4.57174 -60.3869 TIMING: 2949200 CPU: 8791.07, 0.00299747/step Wall: 8791.07, 0.00299747/step, 1.70756 hours remaining, 206.734375 MB of memory in use. ENERGY: 2949200 717.9802 2065.1930 1933.2069 106.7529 -205576.2461 17339.0484 0.0000 0.0000 34127.9767 -149286.0881 298.0481 -183414.0648 -149180.7539 298.8618 -349.3124 -315.0543 558658.1669 -15.9696 -16.0323 PRESSURE: 2949400 -38.6236 37.1021 114.824 37.102 46.3529 -24.2088 114.822 -24.2081 171.266 GPRESSURE: 2949400 10.1208 1.40174 46.0237 60.5805 88.9216 -127.018 53.7548 -17.5751 182.776 PRESSAVG: 2949400 24.7236 5.11214 72.3391 5.11213 23.7275 11.3104 72.3391 11.3104 -7.42292 GPRESSAVG: 2949400 25.0776 4.92341 72.3689 5.45058 24.1269 9.1269 71.3821 13.2254 -8.19093 TIMING: 2949400 CPU: 8791.66, 0.00297367/step Wall: 8791.66, 0.00297367/step, 1.69383 hours remaining, 206.734375 MB of memory in use. ENERGY: 2949400 736.6667 2083.9180 1937.6078 110.9557 -206481.2593 18072.9878 0.0000 0.0000 34090.2539 -149448.8694 297.7187 -183539.1232 -149357.3278 298.9126 59.6652 93.9396 556887.3893 13.6761 13.6712 PRESSURE: 2949600 62.1017 14.96 1.02891 14.9593 53.6004 28.0129 1.03005 28.0134 549.845 GPRESSURE: 2949600 41.3074 32.9606 -22.1184 6.72363 92.6271 -18.8291 79.8383 -107.654 619.659 PRESSAVG: 2949600 70.6272 -20.7227 62.3887 -20.7228 3.42751 5.28879 62.3885 5.28872 -62.2764 GPRESSAVG: 2949600 70.4303 -20.1996 62.5585 -20.8827 4.43681 4.38166 61.8367 3.95973 -63.0432 TIMING: 2949600 CPU: 8792.25, 0.00295207/step Wall: 8792.25, 0.00295207/step, 1.68137 hours remaining, 206.734375 MB of memory in use. ENERGY: 2949600 742.1116 2077.5270 1948.3273 103.4649 -206394.3465 17990.5771 0.0000 0.0000 34310.2653 -149222.0733 299.6401 -183532.3386 -149126.5290 298.7166 221.8489 251.1978 556085.4485 3.9261 3.9413 PRESSURE: 2949800 325.118 223.024 87.8696 223.024 289.547 -229.534 87.8688 -229.535 308.637 GPRESSURE: 2949800 399.516 176.62 99.2379 229.126 302.368 -223.322 -16.7229 -289.894 313.287 PRESSAVG: 2949800 -63.1396 -19.234 17.8425 -19.2341 -8.49897 -17.0761 17.8425 -17.076 14.945 GPRESSAVG: 2949800 -62.6428 -20.0041 18.7915 -19.3741 -9.90176 -14.6628 16.7194 -17.0967 15.534 TIMING: 2949800 CPU: 8792.85, 0.00297504/step Wall: 8792.85, 0.00297504/step, 1.69428 hours remaining, 206.734375 MB of memory in use. ENERGY: 2949800 735.7140 2056.0890 1977.6721 112.8244 -206811.5578 18392.4580 0.0000 0.0000 34236.1370 -149300.6633 298.9927 -183536.8004 -149209.2018 298.4507 307.7674 338.3902 557781.0796 -18.8978 -19.0035 PRESSURE: 2950000 -59.9982 72.2608 -59.3411 72.2611 -137.67 215.857 -59.3423 215.856 -27.0943 GPRESSURE: 2950000 5.52093 26.7461 -38.1726 95.2359 -113.142 192.767 -28.7242 233.87 -18.245 PRESSAVG: 2950000 28.6046 -15.8306 -38.644 -15.8305 -26.0724 -37.3827 -38.6441 -37.3827 20.9604 GPRESSAVG: 2950000 28.5138 -14.4632 -40.5227 -16.41 -24.9801 -36.3185 -38.2206 -36.9468 20.5405 TIMING: 2950000 CPU: 8793.44, 0.00296591/step Wall: 8793.44, 0.00296591/step, 1.68892 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2950000 765.8720 2075.6588 1938.8832 114.8747 -205659.6889 17488.1563 0.0000 0.0000 33960.8188 -149315.4250 296.5883 -183276.2438 -149218.0414 298.2953 -74.9210 -41.9553 558142.3520 7.8309 8.0247 PRESSURE: 2950200 -135.827 -43.7165 -50.567 -43.7167 232.229 80.5498 -50.5673 80.5502 46.0189 GPRESSURE: 2950200 -124.216 21.3426 -142.877 -118.667 299.478 56.573 -8.7133 28.1308 64.5973 PRESSAVG: 2950200 25.366 -27.9505 -39.8343 -27.9504 1.91719 19.0838 -39.8344 19.0838 8.76646 GPRESSAVG: 2950200 24.7091 -29.7635 -38.8773 -25.8512 2.61817 17.7851 -38.4392 19.623 8.72546 TIMING: 2950200 CPU: 8794.04, 0.0029687/step Wall: 8794.04, 0.0029687/step, 1.69034 hours remaining, 206.734375 MB of memory in use. ENERGY: 2950200 751.6895 2139.2551 1954.5289 106.0871 -206309.8724 17860.1354 0.0000 0.0000 34145.4185 -149352.7579 298.2004 -183498.1765 -149253.0737 298.3970 47.4737 79.9531 557045.0414 12.0165 12.0176 PRESSURE: 2950400 -53.3166 167.441 -132.339 167.44 64.4581 -10.3808 -132.341 -10.3831 460.639 GPRESSURE: 2950400 16.2484 114.459 -163.413 118.989 134.527 25.274 -174.148 -18.6908 424.647 PRESSAVG: 2950400 -5.17305 -33.2424 -51.9848 -33.2424 -33.2713 22.0089 -51.9847 22.0088 12.3458 GPRESSAVG: 2950400 -5.96203 -32.4207 -52.5423 -34.1299 -33.538 24.7136 -52.6619 20.9335 13.4019 TIMING: 2950400 CPU: 8794.63, 0.00296635/step Wall: 8794.63, 0.00296635/step, 1.68884 hours remaining, 206.734375 MB of memory in use. ENERGY: 2950400 719.9711 2155.2540 1903.6734 118.7994 -206588.2509 18207.7212 0.0000 0.0000 34164.2999 -149318.5319 298.3653 -183482.8318 -149224.9920 298.5699 157.2601 191.8072 557139.9802 -8.6995 -8.6994 PRESSURE: 2950600 -26.7549 -117.467 -80.6108 -117.468 79.496 97.6648 -80.6111 97.6657 -126.922 GPRESSURE: 2950600 8.88412 -151.498 -51.0698 -175.32 60.6396 130.982 -52.7909 150.808 -37.0652 PRESSAVG: 2950600 15.7853 -27.0001 -55.8968 -27.0002 -16.4729 39.8379 -55.8968 39.838 38.4638 GPRESSAVG: 2950600 16.5496 -29.3738 -56.9514 -28.2719 -15.8749 38.0451 -52.6998 41.7646 37.4648 TIMING: 2950600 CPU: 8795.22, 0.00296541/step Wall: 8795.22, 0.00296542/step, 1.68814 hours remaining, 206.734375 MB of memory in use. ENERGY: 2950600 733.0515 2090.6277 1936.8434 104.8359 -206002.3653 17484.9329 0.0000 0.0000 34445.4141 -149206.6596 300.8204 -183652.0737 -149111.3205 299.9249 -24.7270 10.8195 556136.8560 12.5921 12.7132 PRESSURE: 2950800 -100.215 22.291 -112.783 22.2909 -100.44 -31.2204 -112.782 -31.2201 117.796 GPRESSURE: 2950800 -3.01273 -67.3343 -146.628 33.9045 -78.2838 -9.41836 -130.391 -40.3694 99.6154 PRESSAVG: 2950800 -13.6107 -3.06798 -29.9294 -3.06802 -7.26973 4.72501 -29.9294 4.72494 3.24628 GPRESSAVG: 2950800 -12.9624 -0.982739 -29.4316 -2.68842 -7.78672 3.80535 -32.1812 5.25225 3.24456 TIMING: 2950800 CPU: 8795.81, 0.00294916/step Wall: 8795.81, 0.00294916/step, 1.67873 hours remaining, 206.769531 MB of memory in use. ENERGY: 2950800 764.1757 2120.9928 1934.2165 123.9719 -206297.6491 17681.0322 0.0000 0.0000 34313.5373 -149359.7228 299.6687 -183673.2602 -149275.2158 299.5636 -27.6197 6.1063 555765.7157 -5.8780 -5.8349 PRESSURE: 2951000 -185.792 27.4223 242.755 27.4211 24.6558 -2.68495 242.754 -2.68557 32.0715 GPRESSURE: 2951000 -139.398 102.844 200.81 -10.459 111.079 -87.9884 233.853 105.529 -3.3805 PRESSAVG: 2951000 21.3696 0.157226 -11.5056 0.157188 24.2822 27.5473 -11.5057 27.5473 -17.8327 GPRESSAVG: 2951000 21.273 0.275528 -12.6594 0.617391 24.9746 26.6697 -10.1447 26.0491 -18.284 TIMING: 2951000 CPU: 8796.41, 0.00297245/step Wall: 8796.41, 0.00297245/step, 1.69182 hours remaining, 206.769531 MB of memory in use. ENERGY: 2951000 751.5424 2097.5607 1923.7156 107.0955 -206272.5910 17604.7275 0.0000 0.0000 34381.6418 -149406.3075 300.2634 -183787.9493 -149303.9994 300.0740 -43.0217 -10.5665 555965.5308 9.2730 9.3212 PRESSURE: 2951200 -450.945 55.3093 -99.0102 55.3094 -104.056 8.6386 -99.0102 8.63905 -169.428 GPRESSURE: 2951200 -428.588 31.5904 -158.799 106.926 -79.2442 -28.6125 -90.0651 -33.9365 -127.808 PRESSAVG: 2951200 -19.1971 54.2688 31.6917 54.2688 5.46061 56.7546 31.6917 56.7547 2.36993 GPRESSAVG: 2951200 -18.9299 51.1743 33.2688 54.7804 4.52342 57.9065 28.9467 56.1996 3.01396 TIMING: 2951200 CPU: 8797, 0.00294774/step Wall: 8797, 0.00294774/step, 1.67759 hours remaining, 206.769531 MB of memory in use. ENERGY: 2951200 724.9601 2110.2347 1962.7680 122.7251 -205987.7655 17430.5654 0.0000 0.0000 34258.2063 -149378.3060 299.1854 -183636.5123 -149281.3062 299.3295 -241.4764 -211.8801 556433.1735 -3.7888 -3.7975 PRESSURE: 2951400 -26.1101 -29.1303 102.361 -29.1297 -124.647 94.1643 102.362 94.1635 181.068 GPRESSURE: 2951400 -8.4371 -43.4699 -4.23505 -47.8417 -77.6447 102.55 105.121 51.8342 216.154 PRESSAVG: 2951400 -30.0833 -33.1731 -23.0767 -33.173 18.9916 0.34713 -23.0768 0.34703 3.56708 GPRESSAVG: 2951400 -31.157 -32.6423 -23.1748 -32.6158 18.8783 0.56803 -21.7119 -0.14335 4.09805 TIMING: 2951400 CPU: 8797.59, 0.00295265/step Wall: 8797.59, 0.00295265/step, 1.68022 hours remaining, 206.769531 MB of memory in use. ENERGY: 2951400 758.2131 2112.8612 1960.2087 106.8589 -206650.2597 18006.3853 0.0000 0.0000 34373.5162 -149332.2162 300.1925 -183705.7325 -149238.2025 299.7027 10.1038 43.3575 557178.3190 -2.5082 -2.7269 PRESSURE: 2951600 -136.393 97.1346 -71.2606 97.1355 65.0951 -113.211 -71.2612 -113.211 149.479 GPRESSURE: 2951600 -32.0123 54.9449 -24.2774 59.7603 101.036 -82.1223 -222.945 -161.285 109.708 PRESSAVG: 2951600 -76.2511 -62.948 -97.3275 -62.948 0.283795 28.5906 -97.3276 28.5906 66.6262 GPRESSAVG: 2951600 -75.3367 -62.8357 -98.8857 -62.3907 0.450729 27.5278 -96.6821 29.7577 66.1701 TIMING: 2951600 CPU: 8798.18, 0.00295696/step Wall: 8798.18, 0.00295696/step, 1.68251 hours remaining, 206.769531 MB of memory in use. ENERGY: 2951600 742.7446 2158.9140 1936.9386 111.0145 -206285.8520 17736.6806 0.0000 0.0000 34238.9534 -149360.6063 299.0173 -183599.5597 -149261.5445 299.1551 26.0604 59.5772 556732.9038 -3.1137 -2.9053 PRESSURE: 2951800 138.871 -35.9616 -54.812 -35.9602 428.573 -95.3682 -54.8123 -95.369 57.8497 GPRESSURE: 2951800 186.985 18.2603 -92.6927 -44.5743 421.284 -107.347 35.3319 -24.3138 113.861 PRESSAVG: 2951800 -69.536 -23.5949 -48.2361 -23.5949 48.6411 -32.1536 -48.2361 -32.1536 12.3388 GPRESSAVG: 2951800 -68.7069 -23.0852 -47.7627 -24.9018 47.8424 -29.1126 -50.1943 -32.52 12.6233 TIMING: 2951800 CPU: 8798.77, 0.00294511/step Wall: 8798.77, 0.00294511/step, 1.67561 hours remaining, 206.769531 MB of memory in use. ENERGY: 2951800 799.3321 2074.0529 1944.2462 114.7653 -206717.9875 18069.4055 0.0000 0.0000 34412.9871 -149303.1985 300.5372 -183716.1856 -149210.4128 299.0973 208.4312 240.7102 555298.0104 -2.8521 -2.7470 PRESSURE: 2952000 46.1959 102.562 -0.30558 102.562 17.5868 -212.867 -0.305775 -212.869 49.2678 GPRESSURE: 2952000 101.168 4.22665 -10.8408 164.084 1.33038 -269.411 -0.917528 -167.432 104.04 PRESSAVG: 2952000 35.1028 -37.5376 -7.29414 -37.5375 3.58656 -23.3866 -7.29422 -23.3866 -18.0142 GPRESSAVG: 2952000 34.0754 -37.9331 -6.29986 -35.7252 4.72765 -22.7881 -5.19545 -24.4586 -18.2338 TIMING: 2952000 CPU: 8799.36, 0.00294465/step Wall: 8799.36, 0.00294465/step, 1.67518 hours remaining, 206.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2952000 743.4305 2136.2426 1941.1495 108.5115 -206343.9210 17941.5413 0.0000 0.0000 34223.6920 -149249.3535 298.8840 -183473.0456 -149152.6445 299.2510 37.6835 68.8459 557461.0001 6.8918 6.8564 PRESSURE: 2952200 -14.8603 34.767 7.56283 34.7669 -141.861 68.0442 7.56136 68.0446 46.8599 GPRESSURE: 2952200 27.9118 -38.6095 -10.0491 138.742 -90.7046 56.2344 -22.5625 33.0496 51.9583 PRESSAVG: 2952200 -38.1983 14.514 0.275667 14.514 77.9582 -3.43752 0.275649 -3.43748 -39.8787 GPRESSAVG: 2952200 -37.9433 15.1738 1.37765 12.6786 77.1003 -4.27619 -0.594371 -0.970731 -39.2701 TIMING: 2952200 CPU: 8799.94, 0.00292839/step Wall: 8799.94, 0.00292839/step, 1.66577 hours remaining, 206.769531 MB of memory in use. ENERGY: 2952200 748.8826 2088.7240 1930.1148 112.0664 -206190.7282 17815.5719 0.0000 0.0000 34303.6231 -149191.7454 299.5821 -183495.3685 -149094.5120 299.9230 -36.6204 -3.6115 557873.6695 -0.0396 -0.0377 LDB: ============= START OF LOAD BALANCING ============== 8803.48 LDB: ============== END OF LOAD BALANCING =============== 8803.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8803.49 LDB: ============= START OF LOAD BALANCING ============== 8803.78 LDB: Largest compute 4773 load 0.025918 is 21.9% of average load 0.118319 LDB: Average compute 0.001738 is 1.5% of average load 0.118319 LDB: TIME 8803.78 LOAD: AVG 0.118319 MAX 0.200444 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 8803.78 LOAD: AVG 0.118319 MAX 0.200444 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 8803.78 LOAD: AVG 0.118319 MAX 0.200444 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8803.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8803.79 PRESSURE: 2952400 -77.4915 -5.25546 28 -5.25601 170.33 58.7588 28.0007 58.7571 -60.4787 GPRESSURE: 2952400 -65.398 30.765 75.7418 -62.1312 201.139 82.062 40.1386 50.3047 -11.4904 PRESSAVG: 2952400 -30.7911 -5.99569 -31.7611 -5.9957 14.0203 75.458 -31.7611 75.4579 28.0096 GPRESSAVG: 2952400 -30.7298 -4.31314 -33.3423 -7.57956 14.2942 75.1908 -30.5458 73.7014 27.4516 TIMING: 2952400 CPU: 8800.54, 0.00297526/step Wall: 8800.54, 0.00297526/step, 1.69226 hours remaining, 206.734375 MB of memory in use. ENERGY: 2952400 728.7644 2147.0277 1934.7854 116.5277 -206049.4611 17814.2868 0.0000 0.0000 34086.6378 -149221.4313 297.6871 -183308.0691 -149128.7136 299.2129 10.7865 41.4169 556318.2356 3.7463 3.6720 PRESSURE: 2952600 52.0711 -90.7877 214.243 -90.7889 17.9549 109.181 214.243 109.182 -205.561 GPRESSURE: 2952600 27.0764 -103.386 216.726 -108.914 1.34373 75.7985 253.594 65.8206 -73.5808 PRESSAVG: 2952600 -30.7671 13.5245 -0.661614 13.5245 9.64976 -5.42988 -0.661544 -5.42987 17.0953 GPRESSAVG: 2952600 -30.224 10.3742 1.07595 15.1768 8.21646 -7.25773 -1.17342 -5.41155 17.6867 TIMING: 2952600 CPU: 8801.13, 0.00296576/step Wall: 8801.13, 0.00296577/step, 1.6867 hours remaining, 206.972656 MB of memory in use. ENERGY: 2952600 750.5106 2154.3632 1942.3531 118.1753 -206279.0947 17698.8209 0.0000 0.0000 34488.4036 -149126.4681 301.1958 -183614.8717 -149027.9208 299.6719 -45.1784 -15.0536 557001.5186 -1.3407 -1.4403 PRESSURE: 2952800 -64.3446 -8.40707 -35.1038 -8.40686 168.219 8.45856 -35.1046 8.45768 82.1277 GPRESSURE: 2952800 -28.3977 -19.1747 15.3144 -22.0539 209.907 64.2909 -13.3928 18.9289 101.024 PRESSAVG: 2952800 45.9435 -4.27916 -18.3557 -4.27918 -23.2159 -73.7577 -18.3556 -73.7578 -23.8981 GPRESSAVG: 2952800 45.2114 -2.79898 -19.05 -4.1576 -21.7117 -72.4225 -17.1875 -74.3921 -24.76 TIMING: 2952800 CPU: 8801.72, 0.00295349/step Wall: 8801.72, 0.00295349/step, 1.67955 hours remaining, 206.972656 MB of memory in use. ENERGY: 2952800 753.9960 2109.3798 1954.6784 106.5778 -206571.2983 18069.0671 0.0000 0.0000 34404.9270 -149172.6722 300.4668 -183577.5992 -149076.5784 299.9690 62.0006 94.1779 557537.1447 -0.3902 -0.4201 PRESSURE: 2953000 -148.89 234.238 -153.28 234.237 228.68 135.463 -153.281 135.463 -265.888 GPRESSURE: 2953000 -86.716 315.891 -201.249 218.442 242.863 16.2131 2.55814 43.4004 -251.034 PRESSAVG: 2953000 -65.3577 21.2164 -37.4086 21.2163 82.4215 -28.3527 -37.4086 -28.3527 4.21102 GPRESSAVG: 2953000 -64.4916 20.8341 -35.8078 19.223 81.9965 -31.3952 -38.2637 -27.2118 3.9515 TIMING: 2953000 CPU: 8802.31, 0.00296527/step Wall: 8802.31, 0.00296527/step, 1.68609 hours remaining, 206.972656 MB of memory in use. ENERGY: 2953000 747.1014 2105.6549 1916.0780 115.4984 -206215.9628 17612.2028 0.0000 0.0000 34682.0656 -149037.3616 302.8871 -183719.4272 -148942.4114 300.2521 -62.0326 -31.6288 557993.3635 7.0916 7.1521 PRESSURE: 2953200 -112.929 -56.5711 92.2348 -56.5716 -2.11524 -54.0375 92.2347 -54.036 66.6078 GPRESSURE: 2953200 -96.1134 -71.7517 32.1105 -0.346262 96.4595 -77.1865 48.8284 43.2157 72.9868 PRESSAVG: 2953200 -72.0651 121.549 24.2423 121.549 78.9715 -21.0868 24.2423 -21.0867 -6.29295 GPRESSAVG: 2953200 -72.415 122.649 24.2884 122.587 78.7727 -18.9045 22.7596 -21.9333 -5.37741 TIMING: 2953200 CPU: 8802.9, 0.00295281/step Wall: 8802.9, 0.00295281/step, 1.67884 hours remaining, 206.972656 MB of memory in use. ENERGY: 2953200 728.9270 2092.6522 1934.6407 116.4973 -206244.8079 17818.6946 0.0000 0.0000 34293.3775 -149260.0185 299.4926 -183553.3960 -149156.3239 300.2766 -16.1454 24.4443 557808.8172 0.2045 0.3267 PRESSURE: 2953400 136.081 207.19 11.0538 207.19 207.674 -33.759 11.0542 -33.7591 110.742 GPRESSURE: 2953400 156.868 200.342 -46.8708 189.509 273.349 -3.62841 34.1243 -71.4757 112.394 PRESSAVG: 2953400 -8.38749 42.4809 27.7107 42.4809 7.20787 2.05162 27.7106 2.0517 30.5305 GPRESSAVG: 2953400 -8.75023 41.5881 24.8043 42.1463 7.66816 3.60339 28.061 3.18894 30.2742 TIMING: 2953400 CPU: 8803.49, 0.00293162/step Wall: 8803.49, 0.00293162/step, 1.66662 hours remaining, 206.972656 MB of memory in use. ENERGY: 2953400 767.9350 2086.9008 1959.7494 118.5083 -206413.6956 18245.6536 0.0000 0.0000 34174.0987 -149060.8497 298.4509 -183234.9484 -148968.9920 299.6542 151.4991 180.8702 558484.2497 9.7836 9.7307 PRESSURE: 2953600 26.3606 75.1045 20.3632 75.1046 -151.573 -4.05227 20.3636 -4.05129 -262.101 GPRESSURE: 2953600 0.0156399 28.0166 -6.38848 221.827 -116.438 -22.3458 39.7874 -10.22 -181.135 PRESSAVG: 2953600 -30.5751 -13.0398 -42.2267 -13.0399 54.2842 -15.0905 -42.2267 -15.0906 -36.078 GPRESSAVG: 2953600 -29.9211 -12.7212 -40.4731 -12.1398 53.4026 -16.5106 -43.4647 -14.3083 -35.7239 TIMING: 2953600 CPU: 8804.08, 0.00292997/step Wall: 8804.08, 0.00292997/step, 1.66552 hours remaining, 206.972656 MB of memory in use. ENERGY: 2953600 764.6708 2134.2134 1919.6096 114.5950 -206401.0080 17896.7022 0.0000 0.0000 34268.7414 -149302.4756 299.2774 -183571.2170 -149210.0051 299.0534 -129.1042 -99.1858 559503.8920 -4.1230 -4.0808 PRESSURE: 2953800 -63.1075 120.565 68.5204 120.564 -268.074 139.483 68.5209 139.484 -124.932 GPRESSURE: 2953800 -52.3732 181.088 109.015 98.0596 -200.502 73.5683 -39.3508 101.364 -102.262 PRESSAVG: 2953800 -7.07043 16.6719 38.2873 16.6718 2.8001 30.2064 38.2872 30.2066 43.3418 GPRESSAVG: 2953800 -7.48833 17.2124 39.5932 15.1749 4.15449 30.2894 38.6708 29.9307 41.7595 TIMING: 2953800 CPU: 8804.67, 0.00296423/step Wall: 8804.67, 0.00296423/step, 1.68484 hours remaining, 206.972656 MB of memory in use. ENERGY: 2953800 737.9529 2082.3338 1964.6456 102.1505 -206132.0563 17552.2541 0.0000 0.0000 34412.7809 -149279.9384 300.5354 -183692.7192 -149189.0811 298.9795 -152.0379 -118.3791 558039.7109 13.0238 12.8086 PRESSURE: 2954000 113.412 64.1894 85.856 64.1902 -39.5877 99.0407 85.8571 99.0412 -25.8549 GPRESSURE: 2954000 159.708 -16.9506 110.445 80.8405 -61.9082 49.6081 127.082 109.012 44.5716 PRESSAVG: 2954000 -53.1974 -14.1641 34.1181 -14.1641 12.8661 20.276 34.118 20.2761 80.6689 GPRESSAVG: 2954000 -53.6057 -15.146 30.1058 -15.1519 11.7476 20.7539 35.7763 20.6774 82.3763 TIMING: 2954000 CPU: 8805.26, 0.00296722/step Wall: 8805.26, 0.00296722/step, 1.68637 hours remaining, 206.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2954000 737.0342 2123.5183 1943.4376 109.5539 -206411.8468 17928.3022 0.0000 0.0000 34196.9056 -149373.0951 298.6501 -183570.0007 -149277.1199 298.9713 15.9899 47.4573 558292.6322 13.4458 13.5060 PRESSURE: 2954200 -191.161 -56.7159 -19.5161 -56.7155 18.7059 -233.104 -19.5161 -233.104 270.415 GPRESSURE: 2954200 -99.3274 34.744 39.6576 -85.6203 56.4874 -203.243 -36.0577 -246.87 254.673 PRESSAVG: 2954200 -10.6173 -22.7851 0.771585 -22.7851 -18.7623 4.56606 0.771661 4.56589 34.4514 GPRESSAVG: 2954200 -9.35831 -23.0513 3.00197 -20.5245 -19.3649 3.09094 -0.481166 3.8911 33.4558 TIMING: 2954200 CPU: 8805.85, 0.00294151/step Wall: 8805.85, 0.00294151/step, 1.67159 hours remaining, 206.972656 MB of memory in use. ENERGY: 2954200 743.4327 2135.9853 1935.3850 107.2297 -206271.7415 17904.2894 0.0000 0.0000 34146.3277 -149299.0918 298.2084 -183445.4195 -149196.4689 299.2763 32.6535 70.6110 557513.9431 1.6906 1.5775 PRESSURE: 2954400 -212.659 -18.2599 36.5784 -18.2584 -391.565 129.28 36.5771 129.28 -225.96 GPRESSURE: 2954400 -217.545 12.2642 60.6223 -22.4956 -362.874 203.12 46.5362 129.591 -151.47 PRESSAVG: 2954400 52.1323 -0.873763 -13.5614 -0.873696 -67.1857 2.63959 -13.5613 2.6396 3.13847 GPRESSAVG: 2954400 50.1596 -0.880354 -12.2625 -1.5242 -65.4281 4.81065 -14.2812 1.22372 2.92958 TIMING: 2954400 CPU: 8806.44, 0.00293814/step Wall: 8806.44, 0.00293814/step, 1.66952 hours remaining, 206.972656 MB of memory in use. ENERGY: 2954400 765.4230 2087.9098 1935.7814 111.3804 -205820.1873 17429.9761 0.0000 0.0000 34329.2705 -149160.4462 299.8061 -183489.7166 -149063.3754 298.8965 -276.7280 -243.9627 557786.5746 -3.9716 -4.1130 PRESSURE: 2954600 -210.333 -168.145 17.3081 -168.144 -366.368 126.022 17.3091 126.02 -136.755 GPRESSURE: 2954600 -104.47 -133.712 1.15881 -133.508 -339.112 109.488 -15.3617 126.239 -164.792 PRESSAVG: 2954600 58.5868 -16.6104 10.8262 -16.6103 -70.354 14.614 10.8262 14.6139 -5.14186 GPRESSAVG: 2954600 58.5826 -16.8516 9.2903 -17.3103 -70.7409 12.5347 11.7873 15.6501 -5.00957 TIMING: 2954600 CPU: 8807.03, 0.00297128/step Wall: 8807.03, 0.00297128/step, 1.68818 hours remaining, 206.972656 MB of memory in use. ENERGY: 2954600 760.1917 2117.6778 1935.4421 121.3964 -206052.1405 17564.2628 0.0000 0.0000 34280.0762 -149273.0933 299.3764 -183553.1696 -149171.3958 298.6809 -237.8188 -202.7913 557379.7561 -5.6364 -5.7226 PRESSURE: 2954800 -220.558 115.363 124.213 115.363 31.2156 6.82733 124.214 6.82753 83.7064 GPRESSURE: 2954800 -208.583 104.872 125.54 136.9 83.8335 -31.8686 150.331 -37.2642 130.098 PRESSAVG: 2954800 28.0685 -13.0344 -5.04818 -13.0345 22.3249 1.67042 -5.04817 1.67038 -12.3457 GPRESSAVG: 2954800 27.6094 -13.2983 -3.52753 -11.7154 21.748 0.845144 -4.16646 3.38595 -11.7732 TIMING: 2954800 CPU: 8807.62, 0.0029494/step Wall: 8807.62, 0.0029494/step, 1.67559 hours remaining, 206.972656 MB of memory in use. ENERGY: 2954800 761.6672 2109.6099 1945.8050 117.6425 -205743.2646 17508.0348 0.0000 0.0000 34267.1543 -149033.3509 299.2636 -183300.5051 -148939.1974 299.0953 -35.2120 1.7826 557400.6160 12.6825 12.5281 PRESSURE: 2955000 -64.2379 40.3973 -94.8717 40.3973 336.502 -54.2945 -94.8714 -54.2938 -66.1946 GPRESSURE: 2955000 -51.1852 39.93 -64.5781 56.3616 356.109 2.80255 -85.3286 -72.0622 -12.2708 PRESSAVG: 2955000 -22.2698 56.1866 -6.22435 56.1866 -0.145509 -24.3687 -6.22428 -24.3686 22.88 GPRESSAVG: 2955000 -22.1133 57.21 -7.53329 56.3331 -0.593698 -21.982 -7.16621 -26.6072 22.8684 TIMING: 2955000 CPU: 8808.22, 0.0029669/step Wall: 8808.22, 0.0029669/step, 1.68536 hours remaining, 206.972656 MB of memory in use. ENERGY: 2955000 754.7635 2098.0898 1935.7159 133.5053 -206148.7384 17899.1032 0.0000 0.0000 34218.4447 -149109.1159 298.8382 -183327.5607 -149012.4521 299.6328 68.6897 97.5512 558075.8918 0.1549 0.0538 PRESSURE: 2955200 66.3574 -19.0627 -173.168 -19.0627 -221.346 225.59 -173.168 225.589 -93.0223 GPRESSURE: 2955200 68.5821 -22.5719 -115.094 -52.6536 -192.832 156.942 -155.488 247.244 -25.3511 PRESSAVG: 2955200 -43.7327 9.25312 -12.7536 9.2532 74.1166 21.3409 -12.7536 21.341 -50.9227 GPRESSAVG: 2955200 -42.7105 7.935 -13.3327 9.20459 73.4003 19.4089 -12.4068 21.1713 -51.1829 TIMING: 2955200 CPU: 8808.81, 0.00298461/step Wall: 8808.81, 0.00298461/step, 1.69526 hours remaining, 206.972656 MB of memory in use. ENERGY: 2955200 767.0092 2129.9866 1919.8047 122.4131 -206329.2800 17887.2133 0.0000 0.0000 34501.0665 -149001.7866 301.3064 -183502.8531 -148915.2385 299.1755 -82.6704 -49.8671 559442.8683 -6.8463 -6.8311 PRESSURE: 2955400 63.5634 104.648 85.1576 104.648 102.36 -209.228 85.1577 -209.229 24.3979 GPRESSURE: 2955400 64.768 183.477 46.0874 34.6229 167.55 -209.398 143.708 -148.72 50.8084 PRESSAVG: 2955400 6.59533 25.8472 3.8418 25.8473 3.7922 -0.00343934 3.84166 -0.00346644 -7.93577 GPRESSAVG: 2955400 5.55755 27.311 3.91623 25.2147 4.75418 4.53009 3.88449 -1.34956 -7.59926 TIMING: 2955400 CPU: 8809.4, 0.00294736/step Wall: 8809.4, 0.00294736/step, 1.67394 hours remaining, 206.972656 MB of memory in use. ENERGY: 2955400 762.0003 2107.5868 1930.0274 119.0164 -206103.2656 17817.6326 0.0000 0.0000 34359.2455 -149007.7565 300.0678 -183367.0021 -148911.3416 300.3912 63.4405 94.3756 558368.6593 0.8173 0.9042 PRESSURE: 2955600 -191.406 -104.59 36.7021 -104.59 -148.49 27.4949 36.7013 27.4955 8.77747 GPRESSURE: 2955600 -162.942 -118.229 26.2174 -132.915 -83.8896 66.7033 -22.5655 1.78272 11.7404 PRESSAVG: 2955600 -26.0346 10.1725 56.4099 10.1724 34.9814 -22.1454 56.4098 -22.1453 28.1402 GPRESSAVG: 2955600 -25.7803 10.3917 56.9296 8.93331 34.7222 -24.2101 57.6318 -20.0949 28.1474 TIMING: 2955600 CPU: 8809.99, 0.00295392/step Wall: 8809.99, 0.00295392/step, 1.6775 hours remaining, 206.972656 MB of memory in use. ENERGY: 2955600 713.6457 2076.9242 1947.7615 100.3164 -206103.9632 17635.4685 0.0000 0.0000 34570.0170 -149059.8300 301.9086 -183629.8470 -148961.7095 299.9493 -110.3728 -78.3637 558695.6203 12.3623 12.3631 PRESSURE: 2955800 -76.2313 -133.304 -55.3133 -133.305 266.504 -22.3349 -55.3133 -22.3351 305.504 GPRESSURE: 2955800 -3.91639 -207.355 -111.381 -136.534 241.332 26.4496 46.6687 -64.5896 368.601 PRESSAVG: 2955800 -14.8803 -77.6148 35.5128 -77.6148 72.3504 16.2606 35.5127 16.2606 -56.1591 GPRESSAVG: 2955800 -14.5104 -77.9909 35.1594 -75.5235 73.3054 14.0894 35.3551 15.2972 -57.9031 TIMING: 2955800 CPU: 8810.59, 0.00296834/step Wall: 8810.59, 0.00296834/step, 1.68553 hours remaining, 206.972656 MB of memory in use. ENERGY: 2955800 722.8224 2089.7612 1923.7612 110.9222 -206361.7588 18094.1024 0.0000 0.0000 34483.2006 -148937.1889 301.1504 -183420.3895 -148838.9933 300.1328 165.2588 202.0056 559125.4336 0.4370 0.2973 PRESSURE: 2956000 -269.668 -26.0097 127.922 -26.009 149.194 -81.2717 127.923 -81.2718 62.2336 GPRESSURE: 2956000 -191.846 -41.4873 79.3195 -62.6792 160.212 -119.478 83.7019 -107.847 67.2949 PRESSAVG: 2956000 8.5237 29.5391 -24.2897 29.5391 54.0242 -13.4815 -24.2896 -13.4816 -29.4137 GPRESSAVG: 2956000 8.44117 28.2777 -24.6667 27.6768 53.2256 -13.1528 -23.4207 -12.4568 -28.8157 TIMING: 2956000 CPU: 8811.17, 0.00291944/step Wall: 8811.17, 0.00291944/step, 1.6576 hours remaining, 206.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2956000 737.7508 2046.3155 1935.2550 111.7059 -206108.4779 17914.7800 0.0000 0.0000 34316.9525 -149045.7181 299.6985 -183362.6706 -148944.1221 300.2628 -19.4136 11.8869 559253.8077 11.0447 10.9504 PRESSURE: 2956200 -196.944 -45.2827 -67.0566 -45.2827 -101.839 -35.9077 -67.0568 -35.9075 -247.934 GPRESSURE: 2956200 -173.102 -54.7355 -41.7114 -88.6879 -90.0289 1.47831 -39.4072 -58.317 -198.613 PRESSAVG: 2956200 15.4443 -21.5012 35.5876 -21.5012 66.4356 -7.52061 35.5876 -7.52069 -67.7941 GPRESSAVG: 2956200 16.071 -20.187 35.8128 -21.1979 66.4783 -7.33814 34.2788 -8.28184 -68.8088 TIMING: 2956200 CPU: 8811.76, 0.0029562/step Wall: 8811.76, 0.0029562/step, 1.6783 hours remaining, 206.972656 MB of memory in use. ENERGY: 2956200 748.5891 2050.2039 1920.0601 121.7399 -205721.6846 17483.8754 0.0000 0.0000 34498.1367 -148899.0795 301.2808 -183397.2162 -148801.5770 299.9174 -182.2387 -153.9149 560857.0524 4.6953 4.5801 LDB: ============= START OF LOAD BALANCING ============== 8815.31 LDB: ============== END OF LOAD BALANCING =============== 8815.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8815.31 LDB: ============= START OF LOAD BALANCING ============== 8815.6 LDB: Largest compute 4773 load 0.027632 is 23.4% of average load 0.118248 LDB: Average compute 0.001734 is 1.5% of average load 0.118248 LDB: TIME 8815.61 LOAD: AVG 0.118248 MAX 0.202923 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.215 MB LDB: TIME 8815.61 LOAD: AVG 0.118248 MAX 0.202923 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.254 MB LDB: TIME 8815.61 LOAD: AVG 0.118248 MAX 0.202923 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.254 MB LDB: ============== END OF LOAD BALANCING =============== 8815.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8815.61 PRESSURE: 2956400 -112.734 12.262 -18.5106 12.263 106.757 61.5952 -18.5118 61.5952 -64.7386 GPRESSURE: 2956400 -4.6742 44.2188 -39.0583 -81.9762 94.7003 61.3314 11.3528 33.1867 -60.995 PRESSAVG: 2956400 -55.8794 -6.06575 41.2669 -6.06577 21.3091 49.9595 41.2669 49.9596 55.4476 GPRESSAVG: 2956400 -56.3319 -5.55871 41.9421 -7.33375 21.2798 48.9689 40.258 50.5165 55.7146 TIMING: 2956400 CPU: 8812.36, 0.00299906/step Wall: 8812.36, 0.00299906/step, 1.70247 hours remaining, 206.429688 MB of memory in use. ENERGY: 2956400 721.5068 2072.5382 1933.9337 122.0740 -205924.3111 17840.0273 0.0000 0.0000 34319.0092 -148915.2218 299.7164 -183234.2311 -148816.1018 300.2840 -23.5717 9.6770 559250.2274 6.9591 6.8875 PRESSURE: 2956600 46.2839 -14.7863 -25.7688 -14.7865 29.5507 152.106 -25.7696 152.107 -77.9096 GPRESSURE: 2956600 42.5983 -35.7348 -44.0696 -25.4043 52.8864 101.702 22.7671 138.701 0.0386366 PRESSAVG: 2956600 -32.6524 -16.6722 62.7133 -16.6722 -29.469 6.83534 62.7133 6.83524 0.814365 GPRESSAVG: 2956600 -33.3813 -18.417 63.0815 -15.5209 -29.9717 8.15065 63.9296 7.57749 2.1337 TIMING: 2956600 CPU: 8812.95, 0.0029604/step Wall: 8812.95, 0.0029604/step, 1.68036 hours remaining, 206.429688 MB of memory in use. ENERGY: 2956600 755.3238 2085.2397 1938.2454 105.8753 -206086.9589 17947.9037 0.0000 0.0000 34302.3160 -148952.0550 299.5707 -183254.3710 -148852.5697 299.6598 -0.6917 31.8411 560321.1744 -20.4357 -20.4064 PRESSURE: 2956800 60.4463 -1.38882 28.2152 -1.38704 -180.502 33.9667 28.2165 33.969 41.8063 GPRESSURE: 2956800 69.1289 -15.752 38.4171 -28.4523 -137.279 41.2353 -132.284 -38.9137 89.3794 PRESSAVG: 2956800 41.0504 -5.68122 -16.3079 -5.68125 36.7713 82.112 -16.308 82.1118 -58.3369 GPRESSAVG: 2956800 41.3568 -5.64716 -15.9592 -5.26639 36.4512 82.0367 -17.8554 81.716 -58.6234 TIMING: 2956800 CPU: 8813.54, 0.00294123/step Wall: 8813.54, 0.00294123/step, 1.66931 hours remaining, 206.429688 MB of memory in use. ENERGY: 2956800 747.3604 2101.5886 1924.3807 118.9021 -206121.8355 17794.8550 0.0000 0.0000 34531.1148 -148903.6339 301.5688 -183434.7487 -148801.3846 300.1791 -26.0831 7.0763 558782.4469 6.4949 6.3949 PRESSURE: 2957000 7.45583 -12.1253 -142.131 -12.1262 -74.3539 113.027 -142.131 113.027 -75.3625 GPRESSURE: 2957000 43.3463 -78.844 -157.877 -43.2827 15.6875 107.359 -199.859 124.028 -90.8331 PRESSAVG: 2957000 -19.5666 -32.9168 -30.6834 -32.9168 -29.1286 34.1232 -30.6834 34.1232 49.4611 GPRESSAVG: 2957000 -19.3674 -32.3969 -31.6848 -34.0749 -28.9824 35.6577 -28.6919 32.568 48.9754 TIMING: 2957000 CPU: 8814.13, 0.00295396/step Wall: 8814.13, 0.00295396/step, 1.67637 hours remaining, 206.429688 MB of memory in use. ENERGY: 2957000 744.1851 2100.5764 1991.0163 113.0110 -206117.6017 17826.3146 0.0000 0.0000 34276.5599 -149065.9383 299.3457 -183342.4982 -148972.6171 299.8333 -47.4202 -10.5998 558564.3149 0.2553 0.2085 PRESSURE: 2957200 -116.075 -3.57092 -65.5882 -3.57111 -68.0854 -152.819 -65.5893 -152.818 40.2651 GPRESSURE: 2957200 -61.7957 -24.7856 -169.815 12.6477 -57.7338 -131.404 -85.7563 -136.173 69.3311 PRESSAVG: 2957200 -53.1293 27.5727 -38.8643 27.5728 52.6482 7.90654 -38.8643 7.90663 53.291 GPRESSAVG: 2957200 -54.2454 28.2589 -40.1163 28.6066 52.2986 6.01074 -39.2042 8.91724 54.8696 TIMING: 2957200 CPU: 8814.73, 0.00298406/step Wall: 8814.73, 0.00298406/step, 1.69329 hours remaining, 206.671875 MB of memory in use. ENERGY: 2957200 735.4367 2143.7701 1957.2422 119.4712 -206222.2721 17777.4595 0.0000 0.0000 34374.9004 -149113.9920 300.2046 -183488.8924 -149012.8111 299.6916 -47.9650 -16.7328 557803.0603 17.6033 17.6409 PRESSURE: 2957400 52.2012 -222.753 -45.6031 -222.753 108.37 -103.065 -45.6027 -103.064 -110.452 GPRESSURE: 2957400 120.869 -271.109 -5.59684 -153.181 90.9092 -67.2254 -78.8628 -122.104 -65.0077 PRESSAVG: 2957400 68.8465 32.741 -8.28832 32.7409 -26.1577 -42.9333 -8.28834 -42.9334 -82.9206 GPRESSAVG: 2957400 69.2777 33.7192 -7.12443 32.5817 -25.9488 -42.7007 -9.99925 -41.9119 -83.9331 TIMING: 2957400 CPU: 8815.33, 0.00298658/step Wall: 8815.33, 0.00298658/step, 1.69455 hours remaining, 206.671875 MB of memory in use. ENERGY: 2957400 747.0197 2102.6037 1926.0516 106.4482 -205918.0580 17621.9599 0.0000 0.0000 34333.0021 -149080.9729 299.8386 -183413.9750 -148980.9828 299.6535 16.7062 48.9236 557978.1218 -13.4106 -13.5347 PRESSURE: 2957600 72.6541 46.7944 -167.856 46.796 -66.676 18.8245 -167.856 18.824 -229.5 GPRESSURE: 2957600 70.1685 153.503 -206.913 -95.9208 -36.5707 46.2362 -209.478 96.9708 -156.434 PRESSAVG: 2957600 45.3018 39.2703 -10.1797 39.2703 44.5374 -14.9583 -10.1796 -14.9584 -49.9885 GPRESSAVG: 2957600 45.565 37.812 -10.6867 39.6295 45.292 -13.8863 -9.34497 -15.0188 -50.7747 TIMING: 2957600 CPU: 8815.92, 0.00296887/step Wall: 8815.92, 0.00296887/step, 1.68434 hours remaining, 206.671875 MB of memory in use. ENERGY: 2957600 739.9537 2077.3807 1933.3876 123.4567 -206002.4184 17690.4025 0.0000 0.0000 34427.8207 -149010.0163 300.6667 -183437.8370 -148916.5940 299.8807 -74.5073 -40.9455 558047.2927 13.2836 13.3608 PRESSURE: 2957800 -46.1983 93.5444 134.468 93.5443 69.3169 -88.1411 134.467 -88.1401 -107.709 GPRESSURE: 2957800 -31.2106 105.42 136.02 48.2903 61.2001 -69.0592 41.8779 -112.221 -19.8994 PRESSAVG: 2957800 -24.9416 58.5564 -18.3527 58.5565 -4.56071 -68.6392 -18.3526 -68.6392 15.9321 GPRESSAVG: 2957800 -25.2545 58.4026 -20.0625 57.0238 -5.32685 -70.1209 -17.2526 -69.0948 16.9496 TIMING: 2957800 CPU: 8816.51, 0.00295153/step Wall: 8816.51, 0.00295153/step, 1.67434 hours remaining, 206.773438 MB of memory in use. ENERGY: 2957800 747.6665 2010.3836 1946.8187 105.6985 -205843.1804 17815.3156 0.0000 0.0000 34312.6399 -148904.6575 299.6608 -183217.2975 -148804.2121 300.1936 -28.1966 3.3634 559452.9077 -4.5234 -4.5439 PRESSURE: 2958000 68.0378 61.8594 113.312 61.8588 -89.2761 -168.621 113.313 -168.619 -50.8231 GPRESSURE: 2958000 129.81 74.6272 85.0196 22.2341 -77.9702 -97.289 128.614 -140.627 -32.1256 PRESSAVG: 2958000 28.5003 51.0706 9.853 51.0706 6.76609 -1.62529 9.85285 -1.62527 -38.9815 GPRESSAVG: 2958000 29.0803 48.9256 9.85844 52.3453 8.06385 -1.58656 10.3843 -1.16138 -40.4398 TIMING: 2958000 CPU: 8817.1, 0.00295533/step Wall: 8817.1, 0.00295533/step, 1.67633 hours remaining, 206.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2958000 731.0331 2090.0349 1952.5955 110.7288 -206193.6297 17854.3688 0.0000 0.0000 34465.3150 -148989.5537 300.9942 -183454.8686 -148887.8958 299.8469 -24.0205 6.5714 558788.1101 -1.2384 -1.0986 PRESSURE: 2958200 -23.6184 -69.3418 -73.8188 -69.3426 171.421 -40.4928 -73.82 -40.4925 -359.715 GPRESSURE: 2958200 4.51594 -95.8777 -106.803 -79.3277 149.233 -38.5568 -100.232 -76.992 -259.174 PRESSAVG: 2958200 0.945679 -9.52238 -22.6982 -9.52233 -13.42 -38.8235 -22.6982 -38.8236 -33.7167 GPRESSAVG: 2958200 0.682348 -8.45713 -23.1465 -7.13675 -15.8214 -36.6803 -22.817 -39.7243 -31.3785 TIMING: 2958200 CPU: 8817.69, 0.00293647/step Wall: 8817.69, 0.00293647/step, 1.66547 hours remaining, 206.773438 MB of memory in use. ENERGY: 2958200 744.8764 2095.7113 1919.1438 116.4191 -206085.8076 17773.7079 0.0000 0.0000 34346.2205 -149089.7286 299.9541 -183435.9490 -148999.0898 299.3394 -70.6372 -35.1417 557291.1689 -15.3970 -15.5058 PRESSURE: 2958400 -50.3586 -63.6186 -7.67937 -63.6192 -164.71 129.037 -7.67811 129.035 -272.894 GPRESSURE: 2958400 -5.11291 -121.064 -24.0763 -105.459 -152.004 94.1102 -31.8881 147.898 -238.3 PRESSAVG: 2958400 22.6184 -12.7744 -6.81689 -12.7744 21.4041 -11.8107 -6.81686 -11.8107 -20.9383 GPRESSAVG: 2958400 22.4276 -11.9009 -3.29842 -17.3888 22.7173 -14.2296 -8.70623 -10.0547 -21.7394 TIMING: 2958400 CPU: 8818.28, 0.0029675/step Wall: 8818.28, 0.0029675/step, 1.6829 hours remaining, 206.773438 MB of memory in use. ENERGY: 2958400 742.8000 2087.8408 1962.1657 120.1709 -205742.3060 17521.9344 0.0000 0.0000 34189.5262 -149117.8680 298.5856 -183307.3942 -149018.4758 299.9907 -162.6543 -131.8054 558633.4644 7.6947 7.8018 PRESSURE: 2958600 11.666 -61.0246 -76.0241 -61.0239 -95.0184 -164.344 -76.0255 -164.343 -35.506 GPRESSURE: 2958600 100.173 -20.4334 -53.4518 -33.6942 -60.8951 -184.293 -135.34 -175.754 -70.301 PRESSAVG: 2958600 50.0238 -69.2275 -51.288 -69.2275 -17.0685 -29.3151 -51.288 -29.3149 -56.2678 GPRESSAVG: 2958600 51.4778 -70.8654 -52.9881 -65.9451 -17.018 -29.8346 -50.919 -31.9955 -57.7258 TIMING: 2958600 CPU: 8818.88, 0.00295962/step Wall: 8818.88, 0.00295962/step, 1.67827 hours remaining, 206.773438 MB of memory in use. ENERGY: 2958600 721.3290 2081.1556 1939.7819 123.4577 -206306.7624 17827.3638 0.0000 0.0000 34431.8692 -149181.8052 300.7021 -183613.6743 -149084.6662 299.7313 -39.6195 -10.3412 558709.9574 -7.7708 -7.7554 PRESSURE: 2958800 -59.2963 -20.0735 172.82 -20.0724 -131.428 75.0355 172.821 75.0364 -218.403 GPRESSURE: 2958800 -42.4258 -16.1608 141.661 -24.4958 -57.683 170.431 157.379 13.7122 -212.504 PRESSAVG: 2958800 58.1935 30.6731 15.7666 30.673 -27.963 7.18177 15.7666 7.18173 -7.76131 GPRESSAVG: 2958800 56.3607 32.1132 16.0402 30.9531 -27.1093 8.32483 15.1219 8.56816 -7.28136 TIMING: 2958800 CPU: 8819.47, 0.00298823/step Wall: 8819.47, 0.00298823/step, 1.69433 hours remaining, 206.773438 MB of memory in use. ENERGY: 2958800 729.6132 2070.7152 1903.7386 107.0051 -205997.4496 17497.6187 0.0000 0.0000 34287.0012 -149401.7576 299.4369 -183688.7587 -149301.9777 299.1156 -136.3757 -104.2044 557730.8113 7.4897 7.3234 PRESSURE: 2959000 -81.3391 70.6571 155.716 70.6581 19.5808 70.6057 155.717 70.6065 -264.873 GPRESSURE: 2959000 -20.6297 60.6434 200.02 149.716 78.9296 107.647 91.0617 126.537 -280.678 PRESSAVG: 2959000 44.3079 -47.3645 53.9869 -47.3645 -78.5647 72.6441 53.9869 72.644 -22.5426 GPRESSAVG: 2959000 44.618 -47.3634 55.0259 -47.8675 -79.6614 71.7644 55.336 73.9908 -22.0599 TIMING: 2959000 CPU: 8820.07, 0.00296861/step Wall: 8820.07, 0.00296861/step, 1.68304 hours remaining, 206.773438 MB of memory in use. ENERGY: 2959000 722.8194 2110.3924 1960.2282 126.5245 -206006.1168 17601.8352 0.0000 0.0000 34159.6731 -149324.6439 298.3249 -183484.3170 -149228.5382 299.0586 -108.8770 -74.1259 558260.2666 -18.9331 -19.0345 PRESSURE: 2959200 87.6945 -127.679 -49.2031 -127.679 -92.3275 -198.471 -49.2023 -198.471 58.6262 GPRESSURE: 2959200 101.956 -195.179 19.7136 -169.656 -30.18 -160.989 40.5254 -227.365 77.7923 PRESSAVG: 2959200 13.3908 30.4773 9.86454 30.4773 29.1319 -22.1749 9.86454 -22.1749 -41.4193 GPRESSAVG: 2959200 13.1943 30.9468 9.5229 27.8532 30.0759 -19.8186 9.63326 -22.9856 -42.4779 TIMING: 2959200 CPU: 8820.66, 0.00295592/step Wall: 8820.66, 0.00295592/step, 1.67568 hours remaining, 206.773438 MB of memory in use. ENERGY: 2959200 762.1434 2060.3947 1945.9763 117.0865 -206389.8124 17861.9077 0.0000 0.0000 34198.0615 -149444.2424 298.6602 -183642.3039 -149340.0773 298.9306 17.9977 49.8559 557162.6356 0.3678 0.2641 PRESSURE: 2959400 -78.6796 1.03708 268.786 1.03766 -168.874 32.1401 268.785 32.1401 -53.9593 GPRESSURE: 2959400 4.3229 4.47662 256.59 107.429 -149.475 -16.5973 260.215 63.5903 -54.4093 PRESSAVG: 2959400 20.7819 -17.4588 34.2199 -17.4589 -21.0803 -18.6175 34.2199 -18.6174 -5.2589 GPRESSAVG: 2959400 20.4634 -15.9197 34.2318 -17.8766 -22.0784 -21.2932 33.3631 -17.7909 -3.80322 TIMING: 2959400 CPU: 8821.25, 0.00295078/step Wall: 8821.25, 0.00295078/step, 1.6726 hours remaining, 206.773438 MB of memory in use. ENERGY: 2959400 750.0577 2058.9733 1948.0060 120.9456 -206596.1644 17918.1007 0.0000 0.0000 34278.1420 -149521.9391 299.3595 -183800.0811 -149425.7054 298.3908 -100.5042 -66.5206 557621.2453 -1.8524 -1.8061 PRESSURE: 2959600 -249.873 112.604 -98.1279 112.601 327.057 -66.0042 -98.1276 -66.0044 -31.5033 GPRESSURE: 2959600 -247.891 68.0387 -101.879 73.9579 361.725 2.02455 -113.726 -106.763 24.4917 PRESSAVG: 2959600 -4.79957 2.26424 -3.18213 2.26421 65.1689 -28.9369 -3.18215 -28.937 -71.5535 GPRESSAVG: 2959600 -3.38373 -2.10892 -2.99121 3.83893 64.6638 -27.6592 -2.48195 -29.1884 -72.5453 TIMING: 2959600 CPU: 8821.84, 0.00297749/step Wall: 8821.84, 0.00297749/step, 1.68757 hours remaining, 206.773438 MB of memory in use. ENERGY: 2959600 771.7400 2040.4520 1932.0347 118.8902 -206224.8744 17842.8810 0.0000 0.0000 34065.0295 -149453.8470 297.4984 -183518.8765 -149361.6651 298.4381 15.2267 46.1084 556964.9395 -3.7281 -3.7551 PRESSURE: 2959800 21.5663 -94.8724 -12.5707 -94.8733 108.612 123.856 -12.5696 123.856 -57.3457 GPRESSURE: 2959800 27.0122 -97.0363 2.84379 -34.094 132.871 151.856 -69.0568 165.063 8.48125 PRESSAVG: 2959800 -5.73186 -35.7909 -63.6135 -35.7909 74.2421 2.56013 -63.6135 2.56024 -43.7007 GPRESSAVG: 2959800 -5.8873 -33.8205 -64.3832 -36.1776 74.1551 2.38547 -64.6915 2.09252 -43.315 TIMING: 2959800 CPU: 8822.44, 0.00298906/step Wall: 8822.44, 0.00298906/step, 1.69397 hours remaining, 206.773438 MB of memory in use. ENERGY: 2959800 736.2983 2151.9845 1937.1637 105.5765 -206335.9929 17853.7344 0.0000 0.0000 34236.9129 -149314.3226 298.9995 -183551.2355 -149218.4417 298.7106 24.2776 56.1215 557117.7604 8.2699 8.3176 PRESSURE: 2960000 -0.0968503 -78.5785 75.4281 -78.5787 165.054 -42.8517 75.4289 -42.8509 15.9437 GPRESSURE: 2960000 0.431826 -75.6587 64.7127 -119.173 241.109 -118.621 54.9363 21.3835 49.6312 PRESSAVG: 2960000 -37.6763 -32.2858 19.2369 -32.2858 33.9094 -39.7435 19.2369 -39.7435 18.1032 GPRESSAVG: 2960000 -37.4117 -33.266 19.9722 -33.9498 34.0179 -39.779 19.0576 -40.2093 18.3869 TIMING: 2960000 CPU: 8823.04, 0.00297997/step Wall: 8823.04, 0.00297997/step, 1.68865 hours remaining, 206.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2960000 743.0740 2058.6052 1924.4421 129.2689 -206437.5261 17920.9736 0.0000 0.0000 34225.0482 -149436.1141 298.8959 -183661.1623 -149337.9750 298.6913 60.3002 97.0575 556676.9838 4.7788 4.9977 PRESSURE: 2960200 -88.4082 -91.5936 -72.699 -91.5924 -318.222 34.7007 -72.7009 34.7005 -345.218 GPRESSURE: 2960200 -53.2611 -131.711 -104.578 -111.097 -235.759 -36.0682 -92.7496 86.1758 -358.478 PRESSAVG: 2960200 -21.473 -20.9512 55.7193 -20.9512 -4.17274 -31.6061 55.7192 -31.606 16.908 GPRESSAVG: 2960200 -22.4054 -20.9766 54.2546 -19.8305 -3.638 -30.8766 58.4073 -31.2219 17.1208 TIMING: 2960200 CPU: 8823.62, 0.00291733/step Wall: 8823.62, 0.00291733/step, 1.65299 hours remaining, 206.773438 MB of memory in use. ENERGY: 2960200 768.8383 2097.1611 1912.2823 104.4170 -206075.4573 17498.4431 0.0000 0.0000 34216.0165 -149478.2989 298.8170 -183694.3154 -149382.3849 298.8421 -250.6159 -215.8328 558226.6117 -2.9126 -2.9742 LDB: ============= START OF LOAD BALANCING ============== 8827.17 LDB: ============== END OF LOAD BALANCING =============== 8827.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8827.17 LDB: ============= START OF LOAD BALANCING ============== 8827.46 LDB: Largest compute 4773 load 0.026963 is 22.8% of average load 0.118219 LDB: Average compute 0.001734 is 1.5% of average load 0.118219 LDB: TIME 8827.46 LOAD: AVG 0.118219 MAX 0.19943 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 8827.46 LOAD: AVG 0.118219 MAX 0.19943 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 8827.46 LOAD: AVG 0.118219 MAX 0.19943 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: ============== END OF LOAD BALANCING =============== 8827.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8827.47 PRESSURE: 2960400 31.9345 182.161 80.4414 182.159 89.9556 1.11976 80.4417 1.11881 38.3433 GPRESSURE: 2960400 23.9325 124.767 65.3708 231.864 129.796 -5.18178 123.114 12.7599 103.234 PRESSAVG: 2960400 27.8832 69.7308 7.53589 69.7309 -67.5624 -38.5792 7.53583 -38.5792 -8.35431 GPRESSAVG: 2960400 28.737 69.8104 6.82124 69.6516 -67.8499 -38.1928 7.09698 -39.437 -8.9197 TIMING: 2960400 CPU: 8824.22, 0.00299694/step Wall: 8824.22, 0.00299694/step, 1.69793 hours remaining, 207.503906 MB of memory in use. ENERGY: 2960400 743.6290 2106.2405 1912.1990 110.5562 -206550.2895 18050.9301 0.0000 0.0000 34200.6729 -149426.0619 298.6830 -183626.7348 -149340.4513 298.5249 53.4111 85.6540 558456.8776 -16.0112 -16.0109 PRESSURE: 2960600 68.514 -13.2663 -157.178 -13.2651 -105.74 13.923 -157.18 13.922 93.5462 GPRESSURE: 2960600 105.719 31.7173 -150.921 -63.408 -99.0809 115.475 -108.111 -19.7322 147.142 PRESSAVG: 2960600 17.4929 36.646 -61.9906 36.6461 -17.1418 2.83434 -61.9905 2.83442 51.0057 GPRESSAVG: 2960600 17.8316 37.9057 -59.1596 36.2065 -17.4171 1.99436 -62.8906 1.98541 50.6983 TIMING: 2960600 CPU: 8824.81, 0.00295434/step Wall: 8824.81, 0.00295434/step, 1.67363 hours remaining, 207.707031 MB of memory in use. ENERGY: 2960600 750.6894 2111.7308 1913.5967 112.5806 -206245.4978 17805.8799 0.0000 0.0000 33981.7478 -149569.2727 296.7711 -183551.0204 -149470.6019 298.3024 18.7734 51.2602 557373.6061 17.1189 17.0376 PRESSURE: 2960800 -26.6705 -31.5842 137.151 -31.5829 -304.249 -99.1233 137.151 -99.1237 -397.104 GPRESSURE: 2960800 -46.5579 9.02958 168.766 -41.2713 -224.439 -107.267 79.7876 -65.1856 -376.942 PRESSAVG: 2960800 84.7487 5.4286 -76.3014 5.42862 -55.4886 -10.28 -76.3013 -10.2799 7.37037 GPRESSAVG: 2960800 84.5108 5.16441 -76.0384 7.26091 -55.2162 -8.73033 -75.7645 -7.51455 7.07709 TIMING: 2960800 CPU: 8825.4, 0.00295544/step Wall: 8825.4, 0.00295544/step, 1.67409 hours remaining, 207.707031 MB of memory in use. ENERGY: 2960800 765.6419 2078.5596 1934.8827 109.4477 -206291.4914 17644.6803 0.0000 0.0000 34164.4926 -149593.7866 298.3670 -183758.2792 -149494.2065 298.6730 -242.6744 -215.9796 557259.9890 12.2102 12.1239 PRESSURE: 2961000 -43.9362 56.1662 179.428 56.1678 -72.438 73.3407 179.429 73.3426 -112.02 GPRESSURE: 2961000 -2.85634 2.66788 179.8 120.144 -21.9134 231.001 191.06 53.4533 -99.616 PRESSAVG: 2961000 57.8275 40.6154 -41.6066 40.6154 -9.44971 -11.8159 -41.6066 -11.816 -23.1937 GPRESSAVG: 2961000 57.1769 41.1271 -41.8014 39.8567 -8.03588 -10.9297 -43.5538 -12.6619 -23.7425 TIMING: 2961000 CPU: 8825.99, 0.00293552/step Wall: 8825.99, 0.00293552/step, 1.66264 hours remaining, 207.742188 MB of memory in use. ENERGY: 2961000 769.5119 2046.4629 1921.1366 103.1614 -206271.0268 17807.8855 0.0000 0.0000 34099.9019 -149522.9667 297.8029 -183622.8686 -149422.6119 298.3229 -76.1314 -41.4619 557804.7990 8.3947 8.4662 PRESSURE: 2961200 52.3501 24.1257 49.296 24.1259 90.597 28.4355 49.296 28.4343 -95.7209 GPRESSURE: 2961200 87.2726 47.2168 43.9824 5.94727 72.5015 119.565 77.5312 -56.4571 -14.4834 PRESSAVG: 2961200 39.0598 24.9341 19.861 24.9341 -16.6674 14.4844 19.861 14.4844 1.98289 GPRESSAVG: 2961200 40.6503 23.1098 19.0033 25.447 -18.6134 12.7657 22.308 12.8009 2.44089 TIMING: 2961200 CPU: 8826.58, 0.00297052/step Wall: 8826.58, 0.00297052/step, 1.6823 hours remaining, 207.742188 MB of memory in use. ENERGY: 2961200 749.4597 2087.3744 1937.4177 111.4412 -206271.3765 17751.0269 0.0000 0.0000 34402.2210 -149232.4355 300.4432 -183634.6565 -149132.4524 299.1722 15.7420 48.4302 556990.1092 8.1251 8.1593 PRESSURE: 2961400 -150.536 -113.671 -169.315 -113.673 107.377 -103.611 -169.315 -103.61 -128.871 GPRESSURE: 2961400 -174.661 -110.367 -201.016 -101.213 155.182 -81.6945 -127.12 -127.88 -62.8411 PRESSAVG: 2961400 -26.4353 -44.0568 -60.1106 -44.0568 20.5966 -9.51689 -60.1106 -9.51698 -21.6607 GPRESSAVG: 2961400 -28.1225 -42.936 -59.8012 -43.6839 20.9517 -10.2781 -60.5898 -8.63165 -20.1934 TIMING: 2961400 CPU: 8827.18, 0.0029821/step Wall: 8827.18, 0.0029821/step, 1.68869 hours remaining, 207.742188 MB of memory in use. ENERGY: 2961400 771.0524 2073.0902 1909.5645 127.1352 -206397.5949 17895.5052 0.0000 0.0000 34334.8028 -149286.4447 299.8544 -183621.2474 -149186.3766 299.4195 -57.3436 -27.4400 557629.7895 -9.1665 -9.1214 PRESSURE: 2961600 86.3098 -156.809 -152.659 -156.809 317.638 -65.0447 -152.659 -65.0453 -18.1894 GPRESSURE: 2961600 162.446 -167.764 2.0479 -124.358 291.58 -66.4196 -217.91 -83.4421 20.9689 PRESSAVG: 2961600 71.5361 -20.1093 -21.4707 -20.1093 -28.1061 -44.7763 -21.4708 -44.7761 -22.6684 GPRESSAVG: 2961600 72.4841 -19.6044 -21.8837 -20.2819 -27.7058 -43.6037 -22.5447 -43.7801 -24.396 TIMING: 2961600 CPU: 8827.78, 0.00299062/step Wall: 8827.78, 0.00299062/step, 1.69336 hours remaining, 207.742188 MB of memory in use. ENERGY: 2961600 732.4756 2072.7104 1916.2912 123.7531 -206430.5230 17910.9249 0.0000 0.0000 34319.7027 -149354.6651 299.7225 -183674.3677 -149263.9643 299.6957 128.5860 158.3318 556393.5814 6.9205 6.7941 PRESSURE: 2961800 170.012 -161.322 26.2259 -161.321 -324.587 100.988 26.2245 100.989 153.097 GPRESSURE: 2961800 141.271 -171.405 57.6639 -103.29 -262.642 94.0439 -44.3124 79.9789 210.203 PRESSAVG: 2961800 25.0139 -18.5491 6.9438 -18.549 -10.2138 19.802 6.94374 19.8021 8.38731 GPRESSAVG: 2961800 24.3866 -17.4933 7.48696 -17.6818 -10.4507 20.1324 7.82873 18.2942 9.28341 TIMING: 2961800 CPU: 8828.37, 0.00296532/step Wall: 8828.37, 0.00296532/step, 1.67886 hours remaining, 207.742188 MB of memory in use. ENERGY: 2961800 747.3956 2046.2007 1904.5493 122.7888 -206197.5055 17698.6087 0.0000 0.0000 34208.7716 -149469.1908 298.7537 -183677.9624 -149372.4505 299.5755 -0.4925 29.6108 555281.8860 7.7291 7.7398 PRESSURE: 2962000 169.153 60.5196 -15.1815 60.521 -220.365 119.356 -15.181 119.356 -246.957 GPRESSURE: 2962000 212.602 97.8691 -78.6984 9.45132 -206.993 112.794 -31.6721 125.319 -198.644 PRESSAVG: 2962000 50.9874 4.75447 93.8767 4.75458 -22.4849 -20.3861 93.8767 -20.3861 -60.8168 GPRESSAVG: 2962000 51.6985 4.35403 92.4929 3.25396 -21.632 -21.9294 94.8453 -17.9347 -62.2376 TIMING: 2962000 CPU: 8828.96, 0.00295636/step Wall: 8828.96, 0.00295636/step, 1.67363 hours remaining, 207.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2962000 733.2769 2030.9878 1931.4754 116.8934 -206196.2207 17650.1285 0.0000 0.0000 34222.4629 -149510.9958 298.8733 -183733.4586 -149410.2823 298.8076 -99.3898 -64.3450 556778.1903 -10.7714 -10.7237 PRESSURE: 2962200 -180.873 -59.8807 -71.577 -59.8791 -106.042 -4.85224 -71.5782 -4.85258 -124.703 GPRESSURE: 2962200 -70.1065 -55.7796 -111.368 -166.848 -123.797 6.08005 -31.2497 -70.2956 -120.24 PRESSAVG: 2962200 -14.1989 44.8311 12.0411 44.8311 14.7839 -50.6726 12.0409 -50.6726 -25.6354 GPRESSAVG: 2962200 -14.308 44.2293 13.6357 46.2578 14.1537 -52.1509 10.212 -51.109 -25.281 TIMING: 2962200 CPU: 8829.55, 0.00293656/step Wall: 8829.55, 0.00293656/step, 1.66226 hours remaining, 207.742188 MB of memory in use. ENERGY: 2962200 743.4257 2059.2725 1939.4964 112.6071 -206044.8311 17643.9570 0.0000 0.0000 34132.8930 -149413.1794 298.0910 -183546.0724 -149316.2899 298.6880 -137.2061 -104.7147 558017.7782 -8.3501 -8.4784 PRESSURE: 2962400 -4.80125 146.556 -121.041 146.556 -23.3372 -77.6909 -121.042 -77.6919 -290.135 GPRESSURE: 2962400 16.0509 262.488 -160.942 64.9844 13.7881 -153.643 -133.517 -104.481 -249.349 PRESSAVG: 2962400 -0.355295 2.90056 8.23045 2.90053 41.3746 -34.1733 8.23042 -34.1732 -31.3229 GPRESSAVG: 2962400 -0.916685 1.58027 5.79298 1.39715 40.9792 -31.9424 9.03747 -35.9652 -30.7024 TIMING: 2962400 CPU: 8830.14, 0.0029464/step Wall: 8830.14, 0.0029464/step, 1.66766 hours remaining, 207.742188 MB of memory in use. ENERGY: 2962400 706.7631 2175.8981 1941.3987 118.2132 -206655.4372 17915.6534 0.0000 0.0000 34272.4073 -149525.1034 299.3095 -183797.5107 -149437.4435 298.3874 -106.0910 -73.1698 557495.0682 3.2321 3.1200 PRESSURE: 2962600 33.4814 60.3437 -45.4104 60.3441 1.55298 109.267 -45.4096 109.266 94.1302 GPRESSURE: 2962600 126.838 50.099 -43.0532 89.8251 31.8938 66.139 -28.4322 208.161 67.4975 PRESSAVG: 2962600 -30.1392 -20.1909 29.2322 -20.1909 -8.19782 -9.28783 29.2322 -9.28778 14.5361 GPRESSAVG: 2962600 -30.4587 -19.7563 29.5791 -22.1003 -8.90783 -10.4856 30.1927 -7.27813 14.4989 TIMING: 2962600 CPU: 8830.73, 0.00295629/step Wall: 8830.73, 0.00295629/step, 1.67309 hours remaining, 207.742188 MB of memory in use. ENERGY: 2962600 734.4265 2058.0726 1931.7053 97.7705 -206330.4275 17894.8903 0.0000 0.0000 34074.3977 -149539.1646 297.5802 -183613.5623 -149440.8053 297.9252 43.0549 75.4096 557444.9332 -7.9336 -8.2892 PRESSURE: 2962800 -109.882 -42.9589 85.4025 -42.9592 -148.161 -171.632 85.4028 -171.633 50.3936 GPRESSURE: 2962800 -71.7479 -72.4396 106.638 5.54099 -103.92 -151.981 36.0873 -178.608 53.1715 PRESSAVG: 2962800 25.461 -16.2721 33.7186 -16.272 2.09068 -40.9996 33.7185 -40.9997 -19.4273 GPRESSAVG: 2962800 26.5624 -15.1283 33.2201 -13.0107 1.61839 -41.3057 34.5419 -39.7279 -19.9121 TIMING: 2962800 CPU: 8831.32, 0.00295897/step Wall: 8831.32, 0.00295897/step, 1.67445 hours remaining, 207.742188 MB of memory in use. ENERGY: 2962800 730.2107 2130.0388 1918.2648 104.1989 -206418.3612 17747.3829 0.0000 0.0000 34129.9957 -149658.2694 298.0657 -183788.2651 -149563.1308 297.9642 -69.2164 -40.8320 558691.1723 2.7081 2.7562 PRESSURE: 2963000 -340.956 -158.332 45.7843 -158.333 27.1131 4.17216 45.7848 4.17148 -148.093 GPRESSURE: 2963000 -280.053 -161.361 101.73 -226.275 30.3542 -87.5464 56.8739 7.21654 -128.218 PRESSAVG: 2963000 -22.9985 -27.462 -2.00448 -27.462 47.2822 -16.3744 -2.00454 -16.3745 44.6252 GPRESSAVG: 2963000 -24.0361 -29.2227 -3.1212 -31.0651 48.594 -15.1266 -0.908272 -17.1841 44.2149 TIMING: 2963000 CPU: 8831.91, 0.00294941/step Wall: 8831.91, 0.00294941/step, 1.66887 hours remaining, 207.742188 MB of memory in use. ENERGY: 2963000 725.7534 2114.5538 1903.8205 114.7097 -206285.3458 17757.7226 0.0000 0.0000 34187.1516 -149481.6342 298.5649 -183668.7858 -149383.2492 297.8728 -153.9785 -125.9722 559335.9795 22.9696 22.9243 PRESSURE: 2963200 76.4749 -19.5052 73.4964 -19.5063 7.43749 -106.079 73.4961 -106.08 -4.87264 GPRESSURE: 2963200 15.4316 -13.4305 67.4728 -45.234 102.556 -215.194 42.6999 2.98073 49.8796 PRESSAVG: 2963200 -22.5589 5.52708 24.0984 5.52699 11.4736 3.09511 24.0984 3.09511 -22.983 GPRESSAVG: 2963200 -23.0069 8.60994 25.6037 5.73209 12.2248 1.1493 21.9829 2.25426 -23.4527 TIMING: 2963200 CPU: 8832.5, 0.00295492/step Wall: 8832.5, 0.00295492/step, 1.67183 hours remaining, 207.742188 MB of memory in use. ENERGY: 2963200 735.5632 2086.4523 1958.0551 126.5167 -206316.2125 17826.0409 0.0000 0.0000 34152.1456 -149431.4387 298.2592 -183583.5842 -149335.1019 298.7803 26.3466 55.9557 556817.3192 -11.3561 -11.4116 PRESSURE: 2963400 94.4381 239.922 -138.524 239.921 -64.3165 111.601 -138.524 111.601 199.548 GPRESSURE: 2963400 89.2131 244.578 -159.058 186.373 16.7368 73.3614 -169.904 133.368 212.627 PRESSAVG: 2963400 -28.7026 3.26643 -12.7575 3.26635 5.53065 28.0765 -12.7576 28.0767 43.3879 GPRESSAVG: 2963400 -28.3382 3.4111 -11.8556 4.2651 3.65302 30.3782 -12.7955 30.0657 44.4888 TIMING: 2963400 CPU: 8833.1, 0.00297804/step Wall: 8833.1, 0.00297804/step, 1.68474 hours remaining, 207.742188 MB of memory in use. ENERGY: 2963400 721.3197 2093.5946 1928.8522 110.8640 -206357.8991 18003.0422 0.0000 0.0000 34039.7257 -149460.5006 297.2774 -183500.2263 -149365.6352 298.9231 76.5564 106.1922 557832.5119 6.7387 6.6012 PRESSURE: 2963600 -162.252 -167.336 -100.285 -167.336 -58.5948 -126.204 -100.284 -126.206 281.49 GPRESSURE: 2963600 -104.735 -183.973 -124.116 -172.23 9.97958 -63.7961 18.9829 -147.73 243.414 PRESSAVG: 2963600 -12.6324 -20.2423 -47.2199 -20.2424 4.31707 -33.3262 -47.2199 -33.3263 27.34 GPRESSAVG: 2963600 -12.8443 -22.6118 -47.2334 -18.2898 5.08012 -34.0874 -46.479 -33.3555 26.7622 TIMING: 2963600 CPU: 8833.69, 0.00296721/step Wall: 8833.69, 0.00296721/step, 1.67845 hours remaining, 207.742188 MB of memory in use. ENERGY: 2963600 769.1218 2094.9217 1911.3045 123.4918 -206580.9641 18092.9846 0.0000 0.0000 34165.6947 -149423.4449 298.3775 -183589.1396 -149320.6057 298.4547 20.2145 49.5529 557649.1961 6.3415 6.3327 PRESSURE: 2963800 -20.0665 38.6104 -30.5011 38.6109 -270.167 -166.117 -30.5017 -166.118 -47.2503 GPRESSURE: 2963800 2.86931 24.0682 18.2494 54.7064 -221.565 -206.242 0.239281 -148.58 -27.7699 PRESSAVG: 2963800 25.5674 37.9458 -30.3536 37.9458 12.5939 -74.9948 -30.3535 -74.9949 -49.8992 GPRESSAVG: 2963800 26.2006 39.1554 -31.2094 37.0612 12.2146 -72.9705 -31.5296 -77.6107 -50.6166 TIMING: 2963800 CPU: 8834.28, 0.00296125/step Wall: 8834.28, 0.00296125/step, 1.67492 hours remaining, 207.742188 MB of memory in use. ENERGY: 2963800 752.2026 2117.8335 1903.8476 120.0714 -206149.8483 17777.5192 0.0000 0.0000 34150.1413 -149328.2328 298.2417 -183478.3741 -149226.7569 298.4124 -112.4947 -82.1552 557744.7604 -3.9126 -4.0671 PRESSURE: 2964000 -94.8964 -17.0651 -76.8256 -17.066 -231.285 -279.827 -76.8246 -279.828 -302.482 GPRESSURE: 2964000 -68.6543 107.049 -151.544 -129.699 -153.28 -296.001 -90.2337 -223.784 -315.588 PRESSAVG: 2964000 34.0224 -4.06664 8.47114 -4.06673 -36.0632 -99.1607 8.47109 -99.1607 -22.3437 GPRESSAVG: 2964000 33.2643 -1.92803 9.52057 -7.37323 -34.1697 -99.2049 8.23892 -99.7089 -22.7742 TIMING: 2964000 CPU: 8834.88, 0.00298158/step Wall: 8834.88, 0.00298158/step, 1.68625 hours remaining, 207.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2964000 757.4759 2048.7024 1927.7244 100.9965 -205901.0265 17551.2174 0.0000 0.0000 34207.3724 -149307.5376 298.7415 -183514.9100 -149199.7797 298.7742 -209.5544 -179.1741 559721.2680 -8.1282 -7.8932 PRESSURE: 2964200 -33.9527 320.726 100.511 320.728 49.2436 -9.43878 100.511 -9.43686 170.981 GPRESSURE: 2964200 36.1421 356.568 1.11016 282.725 102.819 25.2223 137.07 -86.5611 152.843 PRESSAVG: 2964200 -16.2522 68.4993 13.619 68.4993 23.748 -50.4488 13.619 -50.449 15.2481 GPRESSAVG: 2964200 -15.2266 64.3803 12.9877 71.8857 22.2996 -51.1819 14.5547 -50.1812 15.5496 TIMING: 2964200 CPU: 8835.48, 0.00299485/step Wall: 8835.48, 0.00299485/step, 1.69359 hours remaining, 207.742188 MB of memory in use. ENERGY: 2964200 749.6542 2083.3620 1923.4010 117.8547 -206495.1369 17960.9106 0.0000 0.0000 34302.4567 -149357.4978 299.5719 -183659.9545 -149264.5584 298.7207 62.0907 97.2682 558655.1183 7.5813 7.5409 LDB: ============= START OF LOAD BALANCING ============== 8839.03 LDB: ============== END OF LOAD BALANCING =============== 8839.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8839.03 LDB: ============= START OF LOAD BALANCING ============== 8839.33 LDB: Largest compute 4773 load 0.027495 is 23.3% of average load 0.118189 LDB: Average compute 0.001740 is 1.5% of average load 0.118189 LDB: TIME 8839.33 LOAD: AVG 0.118189 MAX 0.201771 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.609 MB LDB: TIME 8839.33 LOAD: AVG 0.118189 MAX 0.201771 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.609 MB LDB: TIME 8839.33 LOAD: AVG 0.118189 MAX 0.201771 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8839.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8839.34 PRESSURE: 2964400 -51.676 -122.038 24.0382 -122.039 77.3199 -7.20851 24.0385 -7.20915 76.3166 GPRESSURE: 2964400 -16.6829 -69.0602 49.6726 -211.037 104.51 28.5299 66.546 2.06635 108.384 PRESSAVG: 2964400 -18.2863 8.95323 7.94954 8.95322 50.0586 -31.739 7.94957 -31.739 -103.046 GPRESSAVG: 2964400 -18.792 11.7438 7.70479 8.05368 50.5281 -32.439 7.03292 -31.8136 -102.81 TIMING: 2964400 CPU: 8836.09, 0.00304797/step Wall: 8836.09, 0.00304797/step, 1.72346 hours remaining, 207.246094 MB of memory in use. ENERGY: 2964400 753.6905 2155.2704 1939.9320 123.1009 -206247.6366 17931.1367 0.0000 0.0000 34126.2668 -149218.2394 298.0332 -183344.5061 -149124.6679 298.8926 33.9869 65.4039 558232.7346 -23.7580 -23.6912 PRESSURE: 2964600 -91.2129 -95.7373 -5.39371 -95.7382 -111.247 100.248 -5.3934 100.247 420.6 GPRESSURE: 2964600 -85.1016 -151.518 -25.4522 -23.1788 -60.4827 95.4597 -29.3284 156.767 453.69 PRESSAVG: 2964600 -52.6345 5.07261 -14.3891 5.07262 -23.8497 43.0111 -14.389 43.0112 66.8512 GPRESSAVG: 2964600 -51.8127 3.63587 -13.838 4.85341 -23.4054 43.415 -14.6993 44.2852 65.1072 TIMING: 2964600 CPU: 8836.68, 0.00295997/step Wall: 8836.68, 0.00295997/step, 1.67353 hours remaining, 207.246094 MB of memory in use. ENERGY: 2964600 772.0148 2049.2303 1914.7498 130.0223 -206362.7647 17963.4618 0.0000 0.0000 34223.8818 -149309.4039 298.8857 -183533.2857 -149214.7303 299.1463 72.7134 102.7018 556775.2573 -3.2110 -3.3703 PRESSURE: 2964800 -159.211 16.3233 63.4144 16.3227 -380.157 -90.5263 63.4136 -90.5242 -138.917 GPRESSURE: 2964800 -121.736 -6.01959 36.8949 14.4138 -333.138 -87.601 155.036 -128.014 -124.448 PRESSAVG: 2964800 13.6373 9.26357 24.5634 9.26364 -26.513 -30.4684 24.5633 -30.4683 6.67459 GPRESSAVG: 2964800 12.8962 9.878 23.3573 7.5823 -27.0288 -32.1556 26.6442 -30.8889 8.01772 TIMING: 2964800 CPU: 8837.27, 0.00293197/step Wall: 8837.27, 0.00293197/step, 1.65754 hours remaining, 207.246094 MB of memory in use. ENERGY: 2964800 739.3779 2142.5647 1940.7607 112.2256 -206028.8539 17521.7713 0.0000 0.0000 34112.0214 -149460.1324 297.9088 -183572.1538 -149368.6533 298.6275 -226.0952 -193.1074 556896.4545 -2.0670 -2.0383 PRESSURE: 2965000 -155.367 129.218 -49.7235 129.218 -88.203 -159.576 -49.7234 -159.576 -145.723 GPRESSURE: 2965000 -129.7 167.026 -6.11533 93.8346 -13.3412 -172.333 -57.2459 -39.2898 -142.029 PRESSAVG: 2965000 -65.8383 -7.33718 -21.3258 -7.3372 0.251999 -45.5762 -21.3259 -45.5763 42.0699 GPRESSAVG: 2965000 -65.9544 -9.25108 -21.0829 -5.70725 -0.0958033 -45.4991 -22.4634 -43.0271 42.3427 TIMING: 2965000 CPU: 8837.86, 0.00295862/step Wall: 8837.86, 0.00295862/step, 1.67244 hours remaining, 207.246094 MB of memory in use. ENERGY: 2965000 741.6576 2173.7435 1914.9893 117.7661 -206234.7023 17672.0279 0.0000 0.0000 34178.4450 -149436.0729 298.4889 -183614.5179 -149339.3289 298.9828 -129.7642 -95.0233 557323.3886 -7.8388 -7.9025 PRESSURE: 2965200 51.14 43.7385 -73.4892 43.738 166.478 55.8717 -73.4881 55.8711 162.164 GPRESSURE: 2965200 125.361 -6.51639 -174.234 27.054 145.095 67.448 -85.4939 29.7216 197.624 PRESSAVG: 2965200 4.75474 -14.6396 11.2712 -14.6397 55.8592 -2.02211 11.2713 -2.02211 -34.6505 GPRESSAVG: 2965200 4.93678 -15.5571 10.4657 -12.674 56.8248 -2.14362 11.2509 -3.84821 -35.4805 TIMING: 2965200 CPU: 8838.45, 0.00296072/step Wall: 8838.45, 0.00296072/step, 1.67346 hours remaining, 207.246094 MB of memory in use. ENERGY: 2965200 745.0265 2073.0635 1963.0110 106.8890 -206771.2402 18180.3939 0.0000 0.0000 34166.0953 -149536.7610 298.3810 -183702.8563 -149433.7195 299.1380 126.5941 156.0265 558095.5913 8.6545 8.7603 PRESSURE: 2965400 -59.1235 -39.2325 -164.049 -39.2314 259.37 48.6828 -164.049 48.6827 -233.789 GPRESSURE: 2965400 18.6488 -48.9389 -111.954 36.1627 248.223 13.3254 -254.563 63.0332 -196.866 PRESSAVG: 2965400 -26.361 14.9259 -38.6276 14.9259 51.4472 -61.2852 -38.6276 -61.2852 -80.2382 GPRESSAVG: 2965400 -26.101 18.1179 -37.8845 11.8935 50.6692 -61.6971 -39.4276 -60.1099 -80.1733 TIMING: 2965400 CPU: 8839.04, 0.00296416/step Wall: 8839.04, 0.00296416/step, 1.67525 hours remaining, 207.246094 MB of memory in use. ENERGY: 2965400 735.8731 2106.8095 1922.0403 125.9889 -206463.8695 17962.4687 0.0000 0.0000 33896.6550 -149714.0340 296.0279 -183610.6890 -149624.1592 297.9143 -11.1809 23.3351 558037.3815 -18.3840 -18.5350 PRESSURE: 2965600 -154.272 53.5592 46.7181 53.5588 -55.7009 -103.381 46.7181 -103.381 129.423 GPRESSURE: 2965600 -108.178 54.3013 139.662 94.0054 -27.4547 -160.052 6.44663 -105.213 143.558 PRESSAVG: 2965600 41.6906 42.0349 -1.27079 42.035 8.61945 -26.7713 -1.27072 -26.7711 -43.0137 GPRESSAVG: 2965600 41.5367 40.1391 -1.62401 42.4586 7.95353 -27.684 -1.1921 -27.5035 -41.9961 TIMING: 2965600 CPU: 8839.63, 0.00294958/step Wall: 8839.63, 0.00294958/step, 1.66684 hours remaining, 207.246094 MB of memory in use. ENERGY: 2965600 714.6545 2107.4904 1945.4136 127.7998 -206549.3656 17941.3136 0.0000 0.0000 34147.4971 -149565.1966 298.2186 -183712.6937 -149469.6557 298.4656 -26.8501 2.6416 557965.9765 2.4321 2.4980 PRESSURE: 2965800 -21.4772 236.92 17.2969 236.92 -169.72 -97.4062 17.2955 -97.4048 70.2088 GPRESSURE: 2965800 30.0425 232.62 -2.76831 104.287 -127.191 -117.207 60.646 -87.3937 76.651 PRESSAVG: 2965800 53.2034 52.7604 6.88512 52.7605 -44.6283 33.3528 6.88505 33.353 -24.6808 GPRESSAVG: 2965800 53.584 55.3469 5.50209 52.6397 -43.4263 37.1 9.4223 32.1592 -25.732 TIMING: 2965800 CPU: 8840.22, 0.00292855/step Wall: 8840.22, 0.00292854/step, 1.65479 hours remaining, 207.246094 MB of memory in use. ENERGY: 2965800 769.0363 2129.0224 1926.3480 105.0553 -206510.7943 17840.0099 0.0000 0.0000 34195.7903 -149545.5322 298.6403 -183741.3224 -149456.6767 298.4038 -40.3296 -6.8324 556291.6629 -5.3685 -5.1914 PRESSURE: 2966000 -279.953 83.5567 199.688 83.5579 -176.853 -220.981 199.689 -220.982 -159.813 GPRESSURE: 2966000 -208.313 95.133 117.107 43.93 -141.444 -215.964 189.961 -98.3274 -154.654 PRESSAVG: 2966000 61.7384 33.7645 41.8374 33.7644 2.43544 -40.9548 41.8374 -40.9548 -28.5277 GPRESSAVG: 2966000 61.1834 33.4335 43.4576 32.655 2.8131 -40.3664 39.7513 -40.9112 -28.2443 TIMING: 2966000 CPU: 8840.81, 0.00295463/step Wall: 8840.81, 0.00295463/step, 1.66936 hours remaining, 207.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2966000 736.3656 2135.9223 1931.6402 126.3358 -206044.6542 17396.5930 0.0000 0.0000 34133.5059 -149584.2914 298.0964 -183717.7973 -149486.5265 298.8888 -205.5396 -168.1374 558183.7025 11.8821 11.9174 PRESSURE: 2966200 -79.2531 76.7636 -186.846 76.763 -273.886 140.652 -186.848 140.651 -261.341 GPRESSURE: 2966200 -110.754 170.307 -202.075 33.6718 -174.252 150.741 -129.862 109.415 -242.796 PRESSAVG: 2966200 -24.0613 52.2819 -0.358322 52.2818 32.4333 -13.3497 -0.358465 -13.3498 -9.01259 GPRESSAVG: 2966200 -24.854 51.8474 -2.1479 52.5527 33.0901 -15.9074 0.875546 -11.6659 -8.99739 TIMING: 2966200 CPU: 8841.4, 0.00294434/step Wall: 8841.4, 0.00294434/step, 1.66339 hours remaining, 207.246094 MB of memory in use. ENERGY: 2966200 792.7956 2116.4476 1912.2727 103.0521 -206539.5489 17694.4186 0.0000 0.0000 34279.0140 -149641.5483 299.3672 -183920.5623 -149540.6382 298.3611 -204.8267 -175.9340 558550.5869 -0.2135 -0.2538 PRESSURE: 2966400 65.7069 27.0139 46.8051 27.0138 378.265 120.956 46.8049 120.957 241.304 GPRESSURE: 2966400 115.958 16.2244 66.3149 59.73 392.515 81.5509 -7.65151 116.623 271.695 PRESSAVG: 2966400 49.4437 57.6314 -14.4193 57.6314 15.9028 25.8873 -14.4193 25.8872 4.08792 GPRESSAVG: 2966400 48.1885 57.5875 -12.8385 58.2608 17.7705 29.1338 -16.4496 24.1462 3.28349 TIMING: 2966400 CPU: 8841.99, 0.00296517/step Wall: 8841.99, 0.00296517/step, 1.67499 hours remaining, 207.246094 MB of memory in use. ENERGY: 2966400 738.8377 2115.7419 1928.3183 118.2895 -206756.0863 18129.3026 0.0000 0.0000 34224.4088 -149501.1876 298.8903 -183725.5963 -149401.0056 298.2701 228.4252 260.0563 556001.3175 23.1448 23.0808 PRESSURE: 2966600 129.251 93.6703 -82.1283 93.6705 36.5962 -78.2302 -82.1292 -78.2291 -180.325 GPRESSURE: 2966600 153.183 160.484 21.21 138.79 72.6017 -15.9087 -112.792 -72.956 -146.151 PRESSAVG: 2966600 -7.324 24.0629 57.1741 24.0629 16.4217 11.3917 57.1742 11.3916 -10.3086 GPRESSAVG: 2966600 -5.48557 22.2352 58.8025 23.8326 14.2145 8.94444 56.8976 11.199 -9.77598 TIMING: 2966600 CPU: 8842.59, 0.00298272/step Wall: 8842.59, 0.00298272/step, 1.68474 hours remaining, 207.246094 MB of memory in use. ENERGY: 2966600 749.6199 2072.7561 1943.7844 120.4129 -206168.1500 17679.5006 0.0000 0.0000 34303.8688 -149298.2073 299.5842 -183602.0761 -149199.0841 299.4764 -4.8259 26.5445 556454.6453 -0.4036 -0.3490 PRESSURE: 2966800 -50.1798 60.3686 132.375 60.3682 45.6103 -99.9668 132.376 -99.9665 -71.3012 GPRESSURE: 2966800 20.9789 67.6488 95.0176 32.4409 31.4147 -85.5769 159.841 -68.5826 -34.6733 PRESSAVG: 2966800 28.6558 30.3269 19.9205 30.3269 19.573 18.2471 19.9206 18.2471 -48.852 GPRESSAVG: 2966800 28.6159 33.5457 20.9477 29.4817 19.0906 18.549 21.4757 19.374 -48.687 TIMING: 2966800 CPU: 8843.19, 0.00297803/step Wall: 8843.19, 0.00297803/step, 1.68192 hours remaining, 207.246094 MB of memory in use. ENERGY: 2966800 762.4965 2100.0244 1933.6676 109.4601 -206398.4526 17803.0991 0.0000 0.0000 34278.5811 -149411.1238 299.3634 -183689.7049 -149310.7806 299.5037 -25.2902 5.9068 557269.2268 -0.2077 -0.3269 PRESSURE: 2967000 3.92424 180.085 -30.4752 180.084 76.3658 31.3248 -30.475 31.3239 126.569 GPRESSURE: 2967000 -21.7959 79.9968 3.25197 210.615 132.564 62.6529 -66.3834 26.9299 187.897 PRESSAVG: 2967000 -14.353 -2.47372 -0.440644 -2.47364 3.89611 31.1857 -0.44055 31.1857 -4.64997 GPRESSAVG: 2967000 -14.4279 -5.39347 -3.04961 -2.89944 3.90744 31.0915 -0.800071 31.587 -4.33672 TIMING: 2967000 CPU: 8843.78, 0.00295953/step Wall: 8843.78, 0.00295953/step, 1.67131 hours remaining, 207.246094 MB of memory in use. ENERGY: 2967000 715.3301 2106.5669 1958.7923 105.5383 -206366.3216 17862.6813 0.0000 0.0000 34294.4152 -149322.9974 299.5017 -183617.4126 -149231.3100 299.1350 68.9528 99.5549 556979.3591 -5.0356 -4.9524 PRESSURE: 2967200 -346.37 -42.1446 156.768 -42.1449 -88.1653 106.923 156.769 106.924 -119.857 GPRESSURE: 2967200 -265.255 -47.6341 86.2717 -84.4649 -113.002 127.647 164.891 108.525 -89.1688 PRESSAVG: 2967200 59.822 22.7301 -16.8355 22.7301 -36.2714 47.4271 -16.8355 47.4269 -7.62426 GPRESSAVG: 2967200 59.087 23.6955 -15.0191 24.0714 -35.6343 48.0402 -18.645 47.1431 -7.29095 TIMING: 2967200 CPU: 8844.37, 0.00297629/step Wall: 8844.37, 0.00297629/step, 1.68061 hours remaining, 207.246094 MB of memory in use. ENERGY: 2967200 740.0393 2083.8605 1938.2791 118.1372 -205732.8714 17593.6691 0.0000 0.0000 34236.2475 -149022.6387 298.9937 -183258.8861 -148921.2897 299.7325 -184.7974 -155.8087 558830.3225 5.3088 5.3872 PRESSURE: 2967400 26.8972 166.284 140.034 166.283 -108.858 13.1025 140.033 13.103 21.7052 GPRESSURE: 2967400 35.4416 98.8321 149.912 200.295 -74.8217 -68.9447 100.783 44.9203 79.8506 PRESSAVG: 2967400 -0.723109 49.9364 39.5614 49.9365 28.8656 -2.51484 39.5614 -2.51493 32.9339 GPRESSAVG: 2967400 0.105293 49.9751 39.7115 48.9283 28.927 -3.51155 41.6306 -1.32677 31.9989 TIMING: 2967400 CPU: 8844.97, 0.00298212/step Wall: 8844.97, 0.00298212/step, 1.68374 hours remaining, 207.246094 MB of memory in use. ENERGY: 2967400 717.3436 2109.8039 1921.0241 107.0512 -206322.9668 17970.2839 0.0000 0.0000 34377.7640 -149119.6960 300.2296 -183497.4600 -149022.9093 299.4312 -20.0852 13.4901 559305.3842 20.3588 20.3437 PRESSURE: 2967600 -275.117 -38.1369 -98.5336 -38.137 -320.139 -33.4211 -98.5332 -33.4217 -405.418 GPRESSURE: 2967600 -285.743 -93.5219 -86.5963 -41.3721 -340.662 -64.1436 -127.604 -122.386 -279.001 PRESSAVG: 2967600 48.5292 13.2563 1.12866 13.2563 -0.634368 -57.0656 1.12863 -57.0657 -41.7728 GPRESSAVG: 2967600 49.4483 12.7706 -0.592554 14.7701 -2.17098 -57.4493 0.0172896 -58.591 -41.6949 TIMING: 2967600 CPU: 8845.56, 0.00296865/step Wall: 8845.56, 0.00296865/step, 1.67597 hours remaining, 207.246094 MB of memory in use. ENERGY: 2967600 744.5814 2112.9773 1913.8241 116.0109 -205783.5954 17388.5774 0.0000 0.0000 34311.3587 -149196.2656 299.6496 -183507.6243 -149100.4765 299.4419 -333.5579 -301.8021 557158.0724 2.0407 1.8608 PRESSURE: 2967800 31.0038 22.3916 74.0129 22.3913 87.0566 149.121 74.0138 149.118 -152.273 GPRESSURE: 2967800 46.4274 51.5294 71.2715 52.4854 153.008 172.046 115.592 99.2095 -141.772 PRESSAVG: 2967800 27.3741 -42.4859 -73.4522 -42.4858 34.1118 -52.9178 -73.4524 -52.9178 -49.9592 GPRESSAVG: 2967800 25.1341 -39.0374 -73.3218 -45.1113 35.7391 -53.4892 -73.4619 -52.2465 -49.4552 TIMING: 2967800 CPU: 8846.16, 0.00297013/step Wall: 8846.16, 0.00297013/step, 1.67664 hours remaining, 207.246094 MB of memory in use. ENERGY: 2967800 746.8641 2117.7303 1929.5926 102.3127 -206215.5444 17770.8316 0.0000 0.0000 34269.3178 -149278.8951 299.2825 -183548.2130 -149179.1402 299.4913 -11.4041 19.2211 557730.1852 3.8422 3.8060 PRESSURE: 2968000 -96.6285 -60.7761 -153.12 -60.7741 -216.342 -78.1176 -153.12 -78.1189 -267.25 GPRESSURE: 2968000 -66.9322 12.7561 -223.802 -36.8302 -147.362 -95.5038 -110.414 -125.658 -286.927 PRESSAVG: 2968000 -36.898 47.8069 34.2303 47.807 31.5614 0.173091 34.2304 0.173038 29.4981 GPRESSAVG: 2968000 -36.4851 47.2731 31.1885 50.4602 31.6256 1.52678 35.0729 -0.920356 28.4732 TIMING: 2968000 CPU: 8846.75, 0.00296904/step Wall: 8846.75, 0.00296904/step, 1.67586 hours remaining, 207.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2968000 788.6468 2121.3584 1929.5930 125.3526 -205983.5373 17568.0436 0.0000 0.0000 34221.0656 -149229.4773 298.8611 -183450.5429 -149129.9689 299.0189 -193.4069 -167.0738 557345.3794 8.0539 7.8712 PRESSURE: 2968200 -155.648 -42.4949 -101.605 -42.4964 316.864 51.9297 -101.608 51.9293 -41.8716 GPRESSURE: 2968200 -134.97 -9.31008 -68.2515 -14.3345 324.113 110.961 -169.228 48.6456 21.6522 PRESSAVG: 2968200 -50.6951 10.3732 -33.787 10.3731 99.0582 -54.1771 -33.787 -54.177 -68.0068 GPRESSAVG: 2968200 -51.2547 8.81083 -31.9185 9.59071 99.7353 -54.0492 -35.0774 -52.9031 -67.9808 TIMING: 2968200 CPU: 8847.35, 0.00298715/step Wall: 8847.35, 0.00298715/step, 1.68591 hours remaining, 207.246094 MB of memory in use. ENERGY: 2968200 728.6387 2113.7653 1928.5846 100.1342 -206634.9860 18093.9570 0.0000 0.0000 34397.6846 -149272.2216 300.4035 -183669.9062 -149179.9621 299.4632 39.7814 70.2649 555742.9132 -6.5479 -6.5001 LDB: ============= START OF LOAD BALANCING ============== 8850.9 LDB: ============== END OF LOAD BALANCING =============== 8850.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8850.9 LDB: ============= START OF LOAD BALANCING ============== 8851.2 LDB: Largest compute 4773 load 0.027363 is 23.1% of average load 0.118275 LDB: Average compute 0.001742 is 1.5% of average load 0.118275 LDB: TIME 8851.2 LOAD: AVG 0.118275 MAX 0.201603 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 8851.2 LOAD: AVG 0.118275 MAX 0.201603 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: TIME 8851.2 LOAD: AVG 0.118275 MAX 0.201603 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: ============== END OF LOAD BALANCING =============== 8851.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8851.21 PRESSURE: 2968400 -484.694 39.7633 11.7102 39.7637 -10.2658 -173.536 11.7091 -173.535 -95.1264 GPRESSURE: 2968400 -419.02 52.1886 32.1956 33.9315 -30.8506 -159.242 -28.2297 -198.786 -39.0397 PRESSAVG: 2968400 -63.7387 -9.87155 -65.5548 -9.87145 82.4514 17.8918 -65.5549 17.8919 -5.78488 GPRESSAVG: 2968400 -63.6973 -9.22803 -63.8303 -10.5064 81.6145 18.8649 -64.6459 19.1553 -5.28039 TIMING: 2968400 CPU: 8847.96, 0.00304573/step Wall: 8847.96, 0.00304573/step, 1.7188 hours remaining, 206.222656 MB of memory in use. ENERGY: 2968400 742.5884 2089.1648 1946.8648 116.4028 -206086.1229 17675.3753 0.0000 0.0000 34294.8201 -149220.9066 299.5052 -183515.7267 -149121.8124 299.5811 -196.6956 -162.9702 556514.2042 4.3093 4.2123 PRESSURE: 2968600 24.6219 -95.1487 80.4507 -95.1489 18.1624 -13.4418 80.4515 -13.4433 75.1558 GPRESSURE: 2968600 57.9187 -198.626 83.5224 -10.1098 54.1853 -9.03097 32.1662 -16.2804 99.2422 PRESSAVG: 2968600 -86.9271 -20.3763 -6.17957 -20.3763 25.8751 -26.2632 -6.17967 -26.2632 51.5523 GPRESSAVG: 2968600 -86.7179 -21.5957 -7.95541 -18.6434 25.4932 -27.7335 -6.88578 -26.3637 52.0124 TIMING: 2968600 CPU: 8848.55, 0.00297977/step Wall: 8848.55, 0.00297977/step, 1.68142 hours remaining, 206.222656 MB of memory in use. ENERGY: 2968600 754.0418 2125.6286 1921.7737 114.7493 -206631.8101 18115.7739 0.0000 0.0000 34468.9766 -149130.8661 301.0261 -183599.8428 -149028.4373 299.7880 39.3134 70.4487 556839.4581 -3.1666 -3.0708 PRESSURE: 2968800 50.8133 -63.0805 -20.6934 -63.0799 32.3439 -110.791 -20.6935 -110.79 34.0016 GPRESSURE: 2968800 28.987 57.0049 53.0665 -28.8639 99.6177 -96.0067 -80.2318 -202.614 71.6911 PRESSAVG: 2968800 8.16906 -21.3618 36.2423 -21.3617 -25.5247 -30.9716 36.2424 -30.9715 -16.6747 GPRESSAVG: 2968800 7.74172 -19.0466 34.2517 -23.3203 -25.5721 -28.2437 36.5617 -34.6678 -16.8176 TIMING: 2968800 CPU: 8849.15, 0.00299578/step Wall: 8849.15, 0.00299578/step, 1.69028 hours remaining, 206.261719 MB of memory in use. ENERGY: 2968800 773.9243 2104.3171 1922.8360 116.7844 -206159.5788 17828.1817 0.0000 0.0000 34376.1401 -149037.3952 300.2154 -183413.5352 -148942.4355 300.4637 39.0529 66.7653 556051.6063 -11.3434 -11.5493 PRESSURE: 2969000 95.1671 -50.3852 -34.7909 -50.385 -15.7872 -66.7416 -34.7908 -66.7419 127.947 GPRESSURE: 2969000 54.352 -47.0964 -18.356 35.223 56.8003 -58.1826 -55.3705 -8.58365 186.324 PRESSAVG: 2969000 98.7321 -14.6834 -5.85486 -14.6834 -106.129 -89.114 -5.85489 -89.1141 83.6459 GPRESSAVG: 2969000 98.6883 -15.9189 -4.25114 -14.6269 -105.027 -90.1453 -6.95392 -85.3501 82.7453 TIMING: 2969000 CPU: 8849.75, 0.00298138/step Wall: 8849.75, 0.00298138/step, 1.682 hours remaining, 206.261719 MB of memory in use. ENERGY: 2969000 779.3746 2093.9322 1926.6233 110.8696 -205816.4973 17718.3140 0.0000 0.0000 34343.9410 -148843.4425 299.9342 -183187.3836 -148753.9061 300.3165 69.1089 99.1587 555581.5227 25.4163 25.4689 PRESSURE: 2969200 -174.15 -26.5608 -220.718 -26.5615 -94.2281 72.0916 -220.717 72.0925 -188.857 GPRESSURE: 2969200 -138.271 -17.3512 -246.694 -70.7958 -59.5598 57.0473 -144.311 76.4414 -154.676 PRESSAVG: 2969200 13.7799 29.5909 -70.3515 29.5909 -19.0606 25.4189 -70.3516 25.4189 12.6774 GPRESSAVG: 2969200 13.4773 29.4382 -70.8575 29.9605 -18.2741 26.0811 -69.178 23.5947 11.9759 TIMING: 2969200 CPU: 8850.35, 0.0029855/step Wall: 8850.35, 0.0029855/step, 1.68415 hours remaining, 206.261719 MB of memory in use. ENERGY: 2969200 770.3057 2107.1648 1945.4865 119.8490 -205598.5148 17567.0549 0.0000 0.0000 34205.0150 -148883.6390 298.7209 -183088.6540 -148785.9272 300.3995 -152.4116 -117.5026 558112.1548 2.4656 2.3930 PRESSURE: 2969400 -157.904 138.891 28.9706 138.89 -189.257 58.0537 28.9688 58.0547 -179.918 GPRESSURE: 2969400 -119.383 162.793 -90.8598 147.544 -168.962 67.2899 167.854 63.9166 -140.713 PRESSAVG: 2969400 12.4832 -36.3612 -46.4648 -36.3612 29.1574 -9.32935 -46.4648 -9.32943 -10.6225 GPRESSAVG: 2969400 13.4595 -36.0179 -46.5399 -37.0329 28.2621 -9.41486 -47.3404 -10.7605 -10.9631 TIMING: 2969400 CPU: 8850.94, 0.00299352/step Wall: 8850.94, 0.00299352/step, 1.68851 hours remaining, 206.261719 MB of memory in use. ENERGY: 2969400 730.7829 2103.5465 1903.1686 114.1262 -205550.6422 17532.3268 0.0000 0.0000 34251.1869 -148915.5043 299.1241 -183166.6913 -148819.1913 299.6607 -175.6929 -143.0192 557806.7880 10.3394 10.2529 PRESSURE: 2969600 -268.263 69.9581 155.164 69.9582 81.9041 -13.4843 155.165 -13.4845 -319.805 GPRESSURE: 2969600 -188.657 58.8142 146.363 80.1328 52.4703 -86.7022 88.8484 7.19979 -260.882 PRESSAVG: 2969600 -5.19277 -46.4384 -10.8354 -46.4384 -16.1752 -33.4948 -10.8353 -33.4948 -10.7916 GPRESSAVG: 2969600 -5.00907 -45.7685 -8.9725 -47.535 -16.809 -34.5807 -12.3836 -31.1939 -10.1038 TIMING: 2969600 CPU: 8851.54, 0.00298705/step Wall: 8851.54, 0.00298705/step, 1.6847 hours remaining, 206.261719 MB of memory in use. ENERGY: 2969600 724.2553 2040.7393 1942.1912 120.3718 -205370.6246 17360.3435 0.0000 0.0000 34298.5453 -148884.1784 299.5377 -183182.7236 -148787.7583 299.7560 -168.7213 -132.3564 557972.6527 -10.7199 -10.6406 PRESSURE: 2969800 -122.438 -310.234 -14.9818 -310.232 59.3896 -110.209 -14.9823 -110.208 34.8526 GPRESSURE: 2969800 -77.7483 -332.493 -27.7046 -281.518 78.9504 -121.732 -3.54599 -62.3651 72.2889 PRESSAVG: 2969800 -8.18126 6.8979 -35.6879 6.89791 19.5572 -50.3863 -35.6878 -50.3865 -6.91892 GPRESSAVG: 2969800 -7.26465 6.45658 -38.558 8.36737 19.3148 -49.7162 -33.5562 -51.293 -7.56749 TIMING: 2969800 CPU: 8852.14, 0.00296878/step Wall: 8852.14, 0.00296878/step, 1.67423 hours remaining, 206.261719 MB of memory in use. ENERGY: 2969800 747.4378 2120.4999 1922.4957 129.3956 -205640.8967 17676.9948 0.0000 0.0000 34273.2922 -148770.7807 299.3172 -183044.0729 -148671.3927 300.1934 -9.3985 24.4970 558343.7804 1.4857 1.4942 PRESSURE: 2970000 65.0014 0.757815 -122.641 0.757527 323.912 107.924 -122.64 107.924 120.18 GPRESSURE: 2970000 74.5558 -51.9892 -128.221 3.2317 356.235 100.851 -134.856 133.543 178.153 PRESSAVG: 2970000 2.62196 -23.2741 40.6665 -23.2741 51.8163 -19.9061 40.6664 -19.9061 -36.5349 GPRESSAVG: 2970000 1.39771 -23.9476 41.9045 -21.3132 52.6704 -22.0308 42.034 -18.9043 -34.9944 TIMING: 2970000 CPU: 8852.72, 0.00294723/step Wall: 8852.72, 0.00294723/step, 1.66191 hours remaining, 206.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2970000 754.9028 2123.9216 1920.3701 111.5478 -206145.1489 17999.3230 0.0000 0.0000 34260.4293 -148974.6543 299.2049 -183235.0836 -148880.4891 299.9085 169.6979 202.9811 557691.5053 5.9678 6.3579 PRESSURE: 2970200 30.9223 -72.2666 -70.1501 -72.266 -160.789 26.0048 -70.1496 26.0065 -185.984 GPRESSURE: 2970200 40.8199 -72.811 -55.6841 -146.084 -101.81 108.002 -39.0593 16.7425 -138.159 PRESSAVG: 2970200 -24.9799 -39.4194 -16.8634 -39.4195 43.6548 41.8104 -16.8633 41.8102 -47.7834 GPRESSAVG: 2970200 -24.0296 -38.1319 -15.9984 -40.823 43.8954 44.8939 -21.1131 42.3782 -48.819 TIMING: 2970200 CPU: 8853.32, 0.00297738/step Wall: 8853.32, 0.00297738/step, 1.67875 hours remaining, 206.261719 MB of memory in use. ENERGY: 2970200 725.9561 2084.4996 1926.7306 113.0041 -205977.7519 17681.0055 0.0000 0.0000 34301.0912 -149145.4648 299.5600 -183446.5560 -149049.5551 299.3129 -105.2836 -66.3829 557610.7293 -9.7028 -9.6511 PRESSURE: 2970400 -201.955 -31.6743 160.851 -31.6747 -2.12777 93.2715 160.852 93.2719 -131.771 GPRESSURE: 2970400 -215.324 -61.3052 173.708 -31.0671 46.6012 23.4811 231.009 96.2334 -67.8557 PRESSAVG: 2970400 6.36856 -23.0285 16.9902 -23.0285 -30.6603 49.1812 16.9901 49.1812 24.9889 GPRESSAVG: 2970400 5.37298 -24.1182 17.2894 -23.8156 -30.5351 48.5149 18.7628 47.1237 26.1017 TIMING: 2970400 CPU: 8853.91, 0.00296031/step Wall: 8853.91, 0.00296031/step, 1.66896 hours remaining, 206.261719 MB of memory in use. ENERGY: 2970400 748.1240 2047.7297 1924.9005 114.9096 -205940.5265 17585.2570 0.0000 0.0000 34197.1142 -149322.4914 298.6519 -183519.6057 -149226.2449 298.9326 -111.9511 -78.8595 557499.1004 0.2324 0.3132 PRESSURE: 2970600 -336.071 18.7079 21.4779 18.7086 -155.428 82.5491 21.478 82.5478 -107.178 GPRESSURE: 2970600 -269.537 54.2602 19.3512 -128.149 -180.733 116.491 -88.1894 9.00945 -62.0658 PRESSAVG: 2970600 33.3606 -38.8692 11.4421 -38.8692 -39.0408 3.43703 11.4421 3.43697 4.4393 GPRESSAVG: 2970600 33.5967 -38.8338 8.85303 -38.0971 -40.5609 2.18933 12.4466 5.26669 5.0833 TIMING: 2970600 CPU: 8854.51, 0.00297215/step Wall: 8854.51, 0.00297215/step, 1.67547 hours remaining, 206.261719 MB of memory in use. ENERGY: 2970600 785.6108 2060.3389 1931.1374 109.6317 -205999.8113 17472.6459 0.0000 0.0000 34207.8828 -149432.5639 298.7459 -183640.4466 -149341.2796 298.4846 -199.5593 -170.7784 557333.4586 -0.4136 -0.6270 PRESSURE: 2970800 -293.932 115.257 -48.0531 115.258 -5.90828 84.4577 -48.054 84.4588 74.0137 GPRESSURE: 2970800 -257.619 175.292 17.109 91.0708 -6.73245 76.0849 -88.1043 112.894 142.928 PRESSAVG: 2970800 2.05774 57.9375 -15.1159 57.9376 1.88229 22.6756 -15.1159 22.6756 1.24774 GPRESSAVG: 2970800 2.28794 58.8027 -14.0267 56.8943 2.48408 26.3006 -14.662 21.0086 0.059378 TIMING: 2970800 CPU: 8855.1, 0.00295413/step Wall: 8855.1, 0.00295413/step, 1.66515 hours remaining, 206.261719 MB of memory in use. ENERGY: 2970800 765.7899 2060.4465 1934.4150 125.4982 -206074.8141 17840.3190 0.0000 0.0000 33998.1678 -149350.1776 296.9145 -183348.3454 -149249.3276 298.3185 -75.2754 -40.4745 556451.7023 1.7293 1.6105 PRESSURE: 2971000 -144.724 41.8218 -166.04 41.8213 -198.954 6.91358 -166.042 6.91365 -207.146 GPRESSURE: 2971000 -110.811 21.8538 -119.126 31.4044 -156.029 49.2682 -228.991 5.81373 -176.348 PRESSAVG: 2971000 -24.4322 -36.091 -51.4927 -36.0911 1.33345 52.1833 -51.4927 52.1834 -32.1221 GPRESSAVG: 2971000 -24.0645 -36.115 -50.9191 -35.8933 2.57457 49.8662 -53.4439 53.602 -33.4604 TIMING: 2971000 CPU: 8855.69, 0.00294/step Wall: 8855.69, 0.00294/step, 1.65702 hours remaining, 206.261719 MB of memory in use. ENERGY: 2971000 756.2061 2076.2795 1942.1379 110.7545 -205980.1972 17649.7954 0.0000 0.0000 34121.1326 -149323.8913 297.9883 -183445.0239 -149234.3472 298.9013 -183.6081 -147.7292 556999.5287 -18.4069 -18.3168 PRESSURE: 2971200 106.821 106.016 -63.1369 106.016 43.298 43.905 -63.1373 43.9053 212.122 GPRESSURE: 2971200 95.673 162.518 -59.2161 88.6867 71.541 31.9278 -33.5265 -12.5337 299.346 PRESSAVG: 2971200 -30.9742 -13.3565 -67.1398 -13.3565 3.15884 -18.1763 -67.1398 -18.1761 38.9073 GPRESSAVG: 2971200 -32.3496 -13.3279 -66.6259 -10.7352 2.7397 -20.3744 -67.4164 -16.8985 40.3461 TIMING: 2971200 CPU: 8856.28, 0.00295549/step Wall: 8856.28, 0.00295549/step, 1.66558 hours remaining, 206.261719 MB of memory in use. ENERGY: 2971200 753.0320 2041.8682 1943.6348 102.6458 -206582.1993 17958.3681 0.0000 0.0000 34206.5425 -149576.1079 298.7342 -183782.6504 -149485.0516 298.5320 120.7471 155.5199 556995.1728 3.6973 3.5788 PRESSURE: 2971400 35.2133 6.94571 -94.5708 6.94468 2.42709 -190.433 -94.571 -190.433 175.222 GPRESSURE: 2971400 85.5351 -33.7046 -154.007 -27.5958 24.8534 -196.291 -160.668 -191.224 190.293 PRESSAVG: 2971400 -33.4671 28.6873 -23.7929 28.6874 -8.83243 -41.1484 -23.7929 -41.1484 36.4924 GPRESSAVG: 2971400 -33.7482 29.8456 -24.8643 25.2572 -9.25492 -37.658 -22.7137 -41.9122 36.5244 TIMING: 2971400 CPU: 8856.87, 0.00296673/step Wall: 8856.87, 0.00296673/step, 1.67175 hours remaining, 206.261719 MB of memory in use. ENERGY: 2971400 733.4667 2092.6855 1964.7002 112.0194 -206637.6245 18059.5828 0.0000 0.0000 34216.4161 -149458.7537 298.8205 -183675.1699 -149365.9345 298.0147 70.9543 100.2272 558133.7109 -1.9357 -2.1596 PRESSURE: 2971600 -85.1188 -7.92013 -19.3001 -7.92068 87.3426 -52.1448 -19.3013 -52.1424 8.94001 GPRESSURE: 2971600 -118.916 -88.9012 -6.66301 28.8164 165.219 31.8552 -31.9726 -29.2128 50.8876 PRESSAVG: 2971600 -5.08229 21.5573 31.2889 21.5573 2.38517 -13.385 31.2889 -13.3852 -19.4752 GPRESSAVG: 2971600 -5.86541 20.4082 29.533 24.2711 2.47208 -15.6969 31.8619 -12.7141 -18.6788 TIMING: 2971600 CPU: 8857.46, 0.00297181/step Wall: 8857.46, 0.00297181/step, 1.67445 hours remaining, 206.261719 MB of memory in use. ENERGY: 2971600 753.0174 2056.0050 1928.0604 98.7169 -206199.1859 17860.7242 0.0000 0.0000 34173.5148 -149329.1471 298.4458 -183502.6619 -149236.7426 298.6250 3.7213 32.3968 559047.4345 -7.3908 -7.3574 PRESSURE: 2971800 36.3453 -36.065 100.696 -36.0637 135.856 -39.5271 100.695 -39.5275 -66.1202 GPRESSURE: 2971800 46.301 -44.5514 157.933 -85.0493 126.165 -48.0574 -7.79852 67.4184 21.6998 PRESSAVG: 2971800 20.9088 13.6294 -24.3034 13.6293 -38.2732 31.0798 -24.3033 31.0798 4.56611 GPRESSAVG: 2971800 20.9941 12.8137 -22.9933 13.6133 -38.8652 32.9418 -24.996 30.1146 5.53471 TIMING: 2971800 CPU: 8858.05, 0.00293872/step Wall: 8858.05, 0.00293872/step, 1.65564 hours remaining, 206.261719 MB of memory in use. ENERGY: 2971800 758.0660 2118.5269 1941.7124 112.4821 -206277.4386 17944.3847 0.0000 0.0000 34184.3254 -149217.9411 298.5402 -183402.2665 -149123.9030 299.2825 35.3604 64.7220 558422.3688 -4.2661 -4.1121 PRESSURE: 2972000 69.2176 -107.019 124.762 -107.019 44.9242 11.3492 124.763 11.3508 20.3683 GPRESSURE: 2972000 183.257 -53.5877 189.51 -142.948 50.4406 -1.83727 59.2872 20.7372 3.18702 PRESSAVG: 2972000 -2.28525 12.3637 7.26572 12.3636 19.1068 6.16756 7.26574 6.16756 -31.5123 GPRESSAVG: 2972000 -1.34907 12.5225 7.47908 12.7241 19.564 6.93321 5.55008 5.58447 -32.6379 TIMING: 2972000 CPU: 8858.64, 0.00295223/step Wall: 8858.64, 0.00295223/step, 1.66309 hours remaining, 206.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2972000 763.0151 2102.9902 1942.2732 111.0862 -206216.8978 17857.5206 0.0000 0.0000 34161.5188 -149278.4936 298.3410 -183440.0125 -149176.7363 298.7218 44.8367 78.9615 556842.5229 -4.8969 -4.8077 PRESSURE: 2972200 216.46 -33.7346 69.5106 -33.7351 116.292 -0.05561 69.5108 -0.0555101 -7.3337 GPRESSURE: 2972200 291.096 -105.647 59.0808 36.7689 128.549 -0.98116 120.354 22.3184 6.95574 PRESSAVG: 2972200 3.19944 -29.9581 38.3773 -29.958 15.5529 42.9836 38.3774 42.9835 4.80593 GPRESSAVG: 2972200 3.55664 -28.5407 38.1711 -30.0621 16.1294 41.902 39.5598 44.0729 4.05306 TIMING: 2972200 CPU: 8859.23, 0.0029491/step Wall: 8859.23, 0.0029491/step, 1.66116 hours remaining, 206.261719 MB of memory in use. ENERGY: 2972200 716.3901 2103.2121 1929.3213 124.6165 -206454.9196 17873.1935 0.0000 0.0000 34503.5736 -149204.6124 301.3283 -183708.1860 -149113.1687 298.9429 108.4727 142.2002 557082.7855 7.8527 7.9130 LDB: ============= START OF LOAD BALANCING ============== 8862.78 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8862.78 LDB: =============== DONE WITH MIGRATION ================ 8862.78 LDB: ============= START OF LOAD BALANCING ============== 8863.08 LDB: Largest compute 4773 load 0.027824 is 23.5% of average load 0.118286 LDB: Average compute 0.001746 is 1.5% of average load 0.118286 LDB: TIME 8863.08 LOAD: AVG 0.118286 MAX 0.201159 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 8863.08 LOAD: AVG 0.118286 MAX 0.201159 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.449 MB LDB: TIME 8863.08 LOAD: AVG 0.118286 MAX 0.201159 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.449 MB LDB: ============== END OF LOAD BALANCING =============== 8863.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8863.09 PRESSURE: 2972400 84.2163 -0.871466 30.5756 -0.870455 -237.25 -157.167 30.5768 -157.169 -61.1909 GPRESSURE: 2972400 112.894 -23.0039 -41.6167 27.0208 -145.565 -186.435 54.2737 -90.0012 -86.9371 PRESSAVG: 2972400 25.414 7.48241 -7.14631 7.4824 -11.4006 -42.1251 -7.14633 -42.125 8.24232 GPRESSAVG: 2972400 24.8379 7.97127 -7.67452 5.47142 -11.2586 -43.795 -7.88522 -41.2753 8.86961 TIMING: 2972400 CPU: 8859.84, 0.00303611/step Wall: 8859.84, 0.00303611/step, 1.71 hours remaining, 207.757812 MB of memory in use. ENERGY: 2972400 759.3425 2107.4258 1925.8257 111.7599 -206339.4206 17710.1581 0.0000 0.0000 34354.0525 -149370.8561 300.0225 -183724.9086 -149275.7691 299.7845 -71.4082 -39.8694 557038.7924 7.4186 7.4830 PRESSURE: 2972600 -80.4885 -136.898 30.548 -136.898 48.3116 126.501 30.5485 126.501 -46.3397 GPRESSURE: 2972600 -49.3511 -127.647 76.2827 -73.0803 78.1065 115.843 8.78751 169.515 -12.1487 PRESSAVG: 2972600 28.5369 -0.191551 -6.16243 -0.191606 87.2704 31.4541 -6.16243 31.454 -100.859 GPRESSAVG: 2972600 29.1237 -0.863996 -6.02749 1.35387 87.4023 32.0592 -6.28944 31.6554 -101.819 TIMING: 2972600 CPU: 8860.44, 0.00299317/step Wall: 8860.44, 0.00299317/step, 1.68565 hours remaining, 207.757812 MB of memory in use. ENERGY: 2972600 749.2219 2068.6986 1925.6648 128.7838 -206015.8452 17712.9949 0.0000 0.0000 34096.2714 -149334.2098 297.7712 -183430.4812 -149235.9369 298.9219 -26.1722 5.5356 558390.1006 4.9827 4.9023 PRESSURE: 2972800 275.438 -91.6636 -43.1285 -91.664 182.105 15.9132 -43.1292 15.9131 80.3429 GPRESSURE: 2972800 267.379 -152.829 -125.102 -113.72 262.367 52.46 -9.39176 63.3723 100.22 PRESSAVG: 2972800 -7.08635 -36.7415 -32.273 -36.7415 36.1782 19.4932 -32.2731 19.4931 -22.6796 GPRESSAVG: 2972800 -6.94706 -37.7831 -33.6247 -35.0379 34.9494 21.5384 -30.977 18.7014 -21.3866 TIMING: 2972800 CPU: 8861.03, 0.00296741/step Wall: 8861.03, 0.00296741/step, 1.67098 hours remaining, 207.757812 MB of memory in use. ENERGY: 2972800 749.3366 2033.1283 1926.9673 119.2755 -206559.3284 18154.4900 0.0000 0.0000 34199.2041 -149376.9266 298.6702 -183576.1307 -149279.6281 299.1300 179.2954 209.9886 556837.0603 2.1374 2.2052 PRESSURE: 2973000 190.303 211.185 -43.4413 211.186 -185.729 -90.2759 -43.4405 -90.2751 -146.478 GPRESSURE: 2973000 181.722 240.99 -20.3393 242.7 -146.484 28.499 -77.7411 -35.4032 -72.0319 PRESSAVG: 2973000 13.0408 0.757188 14.6504 0.757242 2.27324 69.5301 14.6504 69.5302 -18.8336 GPRESSAVG: 2973000 14.127 0.942073 14.3956 -0.148887 1.62901 71.2801 15.13 68.0247 -18.967 TIMING: 2973000 CPU: 8861.62, 0.00295698/step Wall: 8861.62, 0.00295698/step, 1.66494 hours remaining, 207.757812 MB of memory in use. ENERGY: 2973000 731.0028 2101.9382 1934.1472 114.9000 -206300.4468 17765.7713 0.0000 0.0000 34242.3214 -149410.3660 299.0467 -183652.6873 -149308.4290 298.9744 -47.3011 -12.2648 556004.0274 -1.1732 -1.0703 PRESSURE: 2973200 136.985 -69.9525 36.6542 -69.9534 214.093 -120.917 36.6552 -120.917 -7.77323 GPRESSURE: 2973200 148.194 -7.79934 20.3264 2.34764 239.505 -113.825 31.2506 -136.143 57.8234 PRESSAVG: 2973200 32.9463 0.512248 13.2245 0.5122 -65.0364 20.4896 13.2246 20.4898 25.8092 GPRESSAVG: 2973200 33.4703 1.20454 13.3687 -0.787327 -63.4221 17.4289 13.0312 23.3684 23.8989 TIMING: 2973200 CPU: 8862.21, 0.0029292/step Wall: 8862.21, 0.0029292/step, 1.64914 hours remaining, 207.757812 MB of memory in use. ENERGY: 2973200 765.1579 2146.3767 1944.5068 116.8558 -206731.4095 17968.5908 0.0000 0.0000 34370.5327 -149419.3887 300.1664 -183789.9214 -149331.7310 299.3099 114.4348 148.5075 555379.5511 -2.0936 -2.0176 PRESSURE: 2973400 -61.7347 17.6568 -4.17756 17.6566 -191.133 -83.4327 -4.1773 -83.433 -315.229 GPRESSURE: 2973400 -32.9062 3.77459 -9.8924 -11.5342 -97.7906 -83.2734 -43.8438 -93.433 -334.719 PRESSAVG: 2973400 2.98003 37.1718 -41.9774 37.1717 23.663 -45.3583 -41.9774 -45.3583 -46.6291 GPRESSAVG: 2973400 1.1299 36.9039 -39.4472 37.3962 23.1032 -44.2604 -42.1748 -49.1225 -44.2717 TIMING: 2973400 CPU: 8862.8, 0.00293995/step Wall: 8862.8, 0.00293995/step, 1.65503 hours remaining, 207.757812 MB of memory in use. ENERGY: 2973400 760.6612 2134.1746 1937.1798 126.6533 -205915.6928 17556.8071 0.0000 0.0000 34217.6221 -149182.5947 298.8310 -183400.2169 -149094.4519 299.7714 -189.3655 -155.1387 557817.4779 -6.6620 -6.6795 PRESSURE: 2973600 323.515 -102.782 -62.4405 -102.782 188.25 -71.0481 -62.4397 -71.047 26.1643 GPRESSURE: 2973600 381.965 -67.8245 -88.7539 -89.5047 162.299 -84.8402 15.7548 -89.1854 81.5418 PRESSAVG: 2973600 12.9594 -18.8644 -15.5408 -18.8643 60.0567 -10.5517 -15.5407 -10.5517 -50.8434 GPRESSAVG: 2973600 13.1395 -18.5265 -18.0008 -17.8591 59.2035 -8.96739 -14.9351 -10.4421 -50.1801 TIMING: 2973600 CPU: 8863.39, 0.0029571/step Wall: 8863.39, 0.0029571/step, 1.66452 hours remaining, 207.757812 MB of memory in use. ENERGY: 2973600 777.7451 2086.3780 1962.8041 113.9095 -206507.9719 18078.4714 0.0000 0.0000 34269.3200 -149219.3439 299.2825 -183488.6638 -149120.1516 300.3648 179.3100 208.6021 556018.6528 7.3909 7.3876 PRESSURE: 2973800 238.162 59.6443 149.683 59.6434 -49.0181 -40.4124 149.682 -40.4132 77.5685 GPRESSURE: 2973800 287.435 16.5518 231.697 102.514 -23.5491 -81.0201 126.195 -74.7955 90.8772 PRESSAVG: 2973800 21.2818 -37.5576 52.477 -37.5575 10.8376 -11.3002 52.477 -11.3004 -31.5836 GPRESSAVG: 2973800 22.587 -36.514 54.3209 -36.9227 11.1213 -12.7145 50.897 -8.61208 -33.2855 TIMING: 2973800 CPU: 8863.98, 0.00297528/step Wall: 8863.98, 0.00297528/step, 1.67459 hours remaining, 207.757812 MB of memory in use. ENERGY: 2973800 741.1883 2079.7646 1960.8064 117.6967 -206142.7999 17782.0033 0.0000 0.0000 34240.4413 -149220.8994 299.0303 -183461.3407 -149123.6425 299.2986 88.9041 118.2543 556785.4218 0.1786 0.1409 PRESSURE: 2974000 -38.0258 58.504 -81.5548 58.505 -194.762 -5.42048 -81.5555 -5.42031 -74.3999 GPRESSURE: 2974000 67.5429 123.888 -66.0583 38.9387 -203.694 53.0445 -35.0629 11.5087 -83.3225 PRESSAVG: 2974000 -43.6918 32.3474 21.9908 32.3475 -44.7201 -13.0066 21.9908 -13.0064 75.7996 GPRESSAVG: 2974000 -45.1285 31.9706 21.1531 32.0809 -45.2374 -11.7506 23.6789 -13.7987 76.9482 TIMING: 2974000 CPU: 8864.58, 0.00296016/step Wall: 8864.58, 0.00296016/step, 1.66591 hours remaining, 207.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2974000 756.9776 2065.0429 1940.4120 105.5441 -206202.0404 17753.3188 0.0000 0.0000 34187.8261 -149392.9189 298.5708 -183580.7450 -149293.6198 299.2222 -102.3958 -73.1579 554950.1305 -4.2041 -4.4725 PRESSURE: 2974200 53.613 -14.7758 4.49469 -14.7776 66.1348 -79.0502 4.49472 -79.0483 -265.218 GPRESSURE: 2974200 126.107 -27.4985 -71.7595 29.3077 108.204 -33.7524 -34.5877 -28.3638 -283.61 PRESSAVG: 2974200 11.2754 -26.9112 -14.0043 -26.9112 -43.9862 68.4707 -14.0043 68.4706 11.5298 GPRESSAVG: 2974200 10.8621 -27.3558 -14.7468 -27.8178 -42.7128 67.2026 -15.6688 69.0726 9.89933 TIMING: 2974200 CPU: 8865.17, 0.00296533/step Wall: 8865.17, 0.00296533/step, 1.66866 hours remaining, 207.757812 MB of memory in use. ENERGY: 2974200 772.4289 2070.7363 1934.8337 117.1844 -206129.0376 17712.5768 0.0000 0.0000 34180.7541 -149340.5235 298.5090 -183521.2775 -149242.9954 299.1856 -48.4901 -16.4333 556254.3131 -7.0603 -7.3172 PRESSURE: 2974400 -8.54356 59.1709 3.12567 59.1721 -106.579 58.29 3.12715 58.2881 -22.4332 GPRESSURE: 2974400 -46.2934 50.8415 4.78246 -13.5385 -9.4775 127.08 -5.38059 -30.518 8.34944 PRESSAVG: 2974400 9.0241 5.85524 18.9771 5.85521 50.7191 17.6325 18.9771 17.6325 -50.0985 GPRESSAVG: 2974400 9.58803 5.63513 17.5726 4.39204 50.8247 18.0582 20.3942 16.9719 -49.9764 TIMING: 2974400 CPU: 8865.76, 0.00294767/step Wall: 8865.76, 0.00294767/step, 1.65855 hours remaining, 207.757812 MB of memory in use. ENERGY: 2974400 731.1502 2110.4401 1933.3980 107.3843 -206230.5888 17761.4690 0.0000 0.0000 34321.1985 -149265.5487 299.7356 -183586.7472 -149168.4331 299.0016 -45.8518 -15.8071 557724.2661 3.2149 3.4788 PRESSURE: 2974600 -167.516 -10.8317 -184.808 -10.8302 -15.9997 -7.17078 -184.809 -7.17246 -32.9903 GPRESSURE: 2974600 -102.924 -45.9833 -213.573 0.839112 -12.6519 34.7176 -94.4519 -3.32762 10.3637 PRESSAVG: 2974600 -70.5886 -7.84987 -8.73321 -7.84982 7.38661 64.8104 -8.73327 64.8105 69.2642 GPRESSAVG: 2974600 -69.665 -8.42045 -7.48281 -5.21289 6.49693 63.2076 -9.02018 64.9841 69.2175 TIMING: 2974600 CPU: 8866.35, 0.0029802/step Wall: 8866.35, 0.0029802/step, 1.67669 hours remaining, 207.757812 MB of memory in use. ENERGY: 2974600 743.5192 2076.8767 1946.7316 117.9175 -206177.6078 17662.6383 0.0000 0.0000 34574.8172 -149055.1074 301.9505 -183629.9246 -148962.3684 300.0411 -72.1685 -35.0706 557144.6315 2.0207 2.0165 PRESSURE: 2974800 56.5178 107.419 113.932 107.418 -92.2354 42.0122 113.932 42.0138 -79.1141 GPRESSURE: 2974800 88.617 128.12 32.7912 178.251 -46.0282 -15.2635 156.755 32.9952 -77.9246 PRESSAVG: 2974800 29.6313 17.3022 13.1207 17.3023 -21.2688 83.1551 13.1208 83.1551 15.3436 GPRESSAVG: 2974800 29.2736 18.4169 14.3743 17.4825 -21.4387 83.8474 10.6611 83.7586 15.9015 TIMING: 2974800 CPU: 8866.95, 0.00297859/step Wall: 8866.95, 0.00297859/step, 1.67562 hours remaining, 207.757812 MB of memory in use. ENERGY: 2974800 714.5775 2130.4153 1973.4189 117.8532 -205694.1586 17503.0620 0.0000 0.0000 34241.6447 -149013.1870 299.0408 -183254.8317 -148931.3275 299.9483 -38.2772 -11.7786 557704.5017 7.9020 7.9121 PRESSURE: 2975000 -26.7177 80.909 -42.1504 80.909 -238.988 201.334 -42.1505 201.334 -180.026 GPRESSURE: 2975000 24.5356 70.4883 -26.4019 91.8034 -184.44 269.42 -26.1186 174.422 -179.781 PRESSAVG: 2975000 -10.8485 16.4967 27.1199 16.4965 -29.2548 68.2653 27.12 68.2652 4.2274 GPRESSAVG: 2975000 -10.5248 17.4949 27.0242 15.6903 -28.5932 69.0222 28.7597 67.1124 3.13149 TIMING: 2975000 CPU: 8867.55, 0.00297727/step Wall: 8867.55, 0.00297727/step, 1.67472 hours remaining, 207.757812 MB of memory in use. ENERGY: 2975000 758.2668 2129.1609 1938.7785 118.5055 -205918.6026 17589.3785 0.0000 0.0000 34271.2766 -149113.2359 299.2996 -183384.5125 -149027.7062 299.7080 -148.5775 -113.2282 558920.4713 -11.9586 -11.9955 PRESSURE: 2975200 115.637 112.003 -73.2718 112.002 47.7837 -114.534 -73.2724 -114.536 97.0084 GPRESSURE: 2975200 126.876 75.2002 -57.3206 136.393 94.5204 -99.4742 -105.586 -80.7141 126.516 PRESSAVG: 2975200 -16.1576 6.72198 -34.1022 6.72195 -8.08561 35.0776 -34.1023 35.0777 19.8793 GPRESSAVG: 2975200 -16.9795 5.67267 -34.6027 4.62537 -9.14318 35.163 -33.6491 35.8453 22.1892 TIMING: 2975200 CPU: 8868.14, 0.0029904/step Wall: 8868.14, 0.0029904/step, 1.68194 hours remaining, 207.757812 MB of memory in use. ENERGY: 2975200 749.6722 2141.4292 1944.8453 103.3991 -206060.4378 17797.0029 0.0000 0.0000 34080.1844 -149243.9047 297.6307 -183324.0890 -149158.7378 299.0170 86.8097 115.9710 556843.7850 -1.4547 -1.3112 PRESSURE: 2975400 -272.967 52.5096 83.7304 52.5109 -151.766 6.24265 83.7299 6.2423 -25.8218 GPRESSURE: 2975400 -220.604 78.7596 77.6364 58.5415 -141.362 -4.34347 58.4624 80.6578 1.26416 PRESSAVG: 2975400 38.5892 4.94792 22.7266 4.94791 -88.5015 42.0734 22.7266 42.0734 64.051 GPRESSAVG: 2975400 39.2464 5.75473 22.581 6.44178 -87.4165 41.1181 22.1988 42.549 62.4007 TIMING: 2975400 CPU: 8868.74, 0.0029591/step Wall: 8868.74, 0.0029591/step, 1.66417 hours remaining, 207.757812 MB of memory in use. ENERGY: 2975400 717.6095 2116.1785 1930.1373 114.0086 -205889.8851 17417.6448 0.0000 0.0000 34225.9632 -149368.3432 298.9038 -183594.3064 -149269.1895 298.6207 -150.1849 -120.2339 557350.6715 4.7129 4.7435 PRESSURE: 2975600 28.5422 19.2085 -50.7497 19.2089 5.55474 -13.4445 -50.7492 -13.4432 -136.751 GPRESSURE: 2975600 85.6089 27.9649 -49.6842 16.3819 20.3014 6.30136 30.4686 -48.1166 -106.252 PRESSAVG: 2975600 -24.8885 25.661 -25.1865 25.6609 -34.786 55.6526 -25.1866 55.6526 66.7516 GPRESSAVG: 2975600 -25.4535 25.1367 -26.1207 25.2324 -35.1077 54.3558 -23.6078 57.3177 67.5399 TIMING: 2975600 CPU: 8869.33, 0.00296741/step Wall: 8869.33, 0.00296741/step, 1.66867 hours remaining, 207.757812 MB of memory in use. ENERGY: 2975600 758.2893 2097.3912 1929.7914 103.4418 -206339.8299 17810.2553 0.0000 0.0000 34079.8750 -149560.7858 297.6280 -183640.6608 -149469.9627 298.6102 -34.2180 -0.1138 556941.9509 2.3590 2.3262 PRESSURE: 2975800 83.2876 6.4749 -6.06825 6.47501 -16.4895 -182.857 -6.06914 -182.856 -36.152 GPRESSURE: 2975800 115.848 29.265 -5.01323 -21.375 26.352 -164.85 -34.8097 -214.747 -9.9366 PRESSAVG: 2975800 4.66138 2.53438 -4.93188 2.53453 -28.3218 -32.5796 -4.93182 -32.5796 33.5163 GPRESSAVG: 2975800 4.35559 2.32008 -3.28822 3.17139 -29.2042 -29.9233 -7.50387 -34.2182 34.3628 TIMING: 2975800 CPU: 8869.92, 0.00297393/step Wall: 8869.92, 0.00297393/step, 1.67217 hours remaining, 207.757812 MB of memory in use. ENERGY: 2975800 774.8294 2082.6632 1924.3376 119.6660 -206166.5515 17935.5830 0.0000 0.0000 33826.8494 -149502.6230 295.4183 -183329.4723 -149402.6625 297.9618 10.2154 44.0877 557272.8966 3.2853 3.1714 PRESSURE: 2976000 -99.6871 139.641 1.58297 139.641 102.563 62.3312 1.58223 62.3317 -19.1124 GPRESSURE: 2976000 -99.1307 182.575 59.4554 164.393 129.141 41.1508 6.94032 108.635 53.2474 PRESSAVG: 2976000 38.002 9.58763 -16.0557 9.58772 -4.2644 3.75592 -16.0556 3.75589 -9.34659 GPRESSAVG: 2976000 38.633 7.78036 -14.3612 11.2678 -4.40476 3.8016 -15.5494 3.24982 -10.1751 TIMING: 2976000 CPU: 8870.51, 0.00294959/step Wall: 8870.51, 0.00294959/step, 1.65832 hours remaining, 207.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2976000 705.2094 2109.9854 1958.8877 133.1625 -206468.5862 17921.4772 0.0000 0.0000 34024.6849 -149615.1790 297.1460 -183639.8639 -149516.3100 298.7871 -5.4123 27.7527 557726.7777 8.1303 8.0177 PRESSURE: 2976200 -47.6054 -16.0282 46.686 -16.0296 -79.4155 -3.39065 46.6872 -3.39148 -122.269 GPRESSURE: 2976200 -12.1687 9.06879 48.4062 -59.991 -72.6814 -27.7023 -33.4114 -7.2708 -66.7318 PRESSAVG: 2976200 -8.49036 -11.8685 1.56062 -11.8686 -66.2242 30.494 1.56067 30.494 65.423 GPRESSAVG: 2976200 -8.82666 -10.1481 -0.238761 -12.4279 -65.2017 29.0021 0.976068 31.9132 64.6084 TIMING: 2976200 CPU: 8871.1, 0.00293409/step Wall: 8871.1, 0.0029341/step, 1.64945 hours remaining, 207.757812 MB of memory in use. ENERGY: 2976200 756.7139 2082.2586 1970.2007 118.5440 -205817.8578 17456.4484 0.0000 0.0000 34011.6153 -149422.0769 297.0319 -183433.6922 -149326.1098 298.8947 -83.0965 -50.5273 557729.5284 -3.0972 -3.1400 LDB: ============= START OF LOAD BALANCING ============== 8874.65 LDB: ============== END OF LOAD BALANCING =============== 8874.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8874.65 LDB: ============= START OF LOAD BALANCING ============== 8874.95 LDB: Largest compute 4773 load 0.026395 is 22.3% of average load 0.118244 LDB: Average compute 0.001737 is 1.5% of average load 0.118244 LDB: TIME 8874.95 LOAD: AVG 0.118244 MAX 0.202917 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 8874.95 LOAD: AVG 0.118244 MAX 0.202917 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.578 MB LDB: TIME 8874.95 LOAD: AVG 0.118244 MAX 0.202917 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8874.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8874.96 PRESSURE: 2976400 45.0897 -24.5872 -4.7841 -24.5881 -188.701 2.04802 -4.78405 2.04634 -296.811 GPRESSURE: 2976400 117.489 -39.6295 -19.5521 14.4383 -205.352 -41.4111 4.395 10.0517 -262.831 PRESSAVG: 2976400 4.44851 -21.9225 2.34861 -21.9225 9.09854 3.82997 2.34864 3.83001 28.3385 GPRESSAVG: 2976400 4.3879 -23.7288 1.02641 -23.5647 9.11044 3.52342 4.78837 3.65549 28.2032 TIMING: 2976400 CPU: 8871.71, 0.00302525/step Wall: 8871.71, 0.00302525/step, 1.70052 hours remaining, 206.531250 MB of memory in use. ENERGY: 2976400 761.8405 2066.8668 1939.0897 128.1556 -206093.9177 17605.1572 0.0000 0.0000 34193.2532 -149399.5547 298.6182 -183592.8078 -149300.9374 298.7993 -146.8074 -116.8983 556607.5790 13.9619 13.9005 PRESSURE: 2976600 -187.948 -79.4437 -84.8344 -79.4431 -18.5022 27.287 -84.8347 27.2888 -247.758 GPRESSURE: 2976600 -140.837 -80.7576 -84.0617 -59.8892 -27.0696 20.7465 -67.8367 38.4591 -187.067 PRESSAVG: 2976600 11.5097 -22.4252 -20.7024 -22.4251 -69.4929 -7.29254 -20.7025 -7.29256 93.7237 GPRESSAVG: 2976600 11.139 -21.1617 -20.2082 -21.4417 -69.4535 -4.8364 -21.1951 -9.04064 94.3918 TIMING: 2976600 CPU: 8872.3, 0.00295382/step Wall: 8872.3, 0.00295382/step, 1.66021 hours remaining, 206.531250 MB of memory in use. ENERGY: 2976600 763.8023 2141.5723 1946.2497 115.2190 -206609.1282 17907.9290 0.0000 0.0000 34186.0152 -149548.3408 298.5550 -183734.3560 -149456.7885 298.6314 -151.4027 -118.3246 556687.1878 11.9135 12.0258 PRESSURE: 2976800 -283.935 28.6704 -69.8272 28.6713 -63.6092 60.3327 -69.8271 60.3327 44.0139 GPRESSURE: 2976800 -275.085 -61.6699 -17.8058 140.824 34.6652 -18.5078 -185.224 97.995 27.3187 PRESSAVG: 2976800 -24.4209 0.325775 11.8086 0.325687 -34.0974 -22.0655 11.8086 -22.0655 95.4148 GPRESSAVG: 2976800 -24.4468 0.300478 11.4491 1.36388 -33.7492 -22.8573 11.1104 -21.8936 94.8143 TIMING: 2976800 CPU: 8872.89, 0.00296383/step Wall: 8872.89, 0.00296383/step, 1.66567 hours remaining, 206.531250 MB of memory in use. ENERGY: 2976800 747.1283 2046.7741 1919.3234 99.2440 -206350.9152 17819.0338 0.0000 0.0000 34178.6977 -149540.7138 298.4911 -183719.4115 -149441.9624 298.6160 -101.1767 -71.0338 557965.4828 12.2988 12.2061 PRESSURE: 2977000 -133.597 -18.9802 86.8632 -18.9804 -174.701 78.427 86.864 78.4266 -111.739 GPRESSURE: 2977000 -87.8361 -54.28 13.8459 -16.715 -133.005 108.773 100.497 76.8838 -100.201 PRESSAVG: 2977000 12.9441 -6.79449 -59.6372 -6.79453 -22.096 46.3206 -59.6372 46.3205 3.30426 GPRESSAVG: 2977000 13.8496 -7.6538 -58.3865 -6.68266 -22.7147 46.633 -59.064 45.8546 2.88755 TIMING: 2977000 CPU: 8873.47, 0.0029208/step Wall: 8873.47, 0.0029208/step, 1.64133 hours remaining, 206.531250 MB of memory in use. ENERGY: 2977000 775.5638 2136.7844 1926.0305 116.0478 -206538.6343 17841.9077 0.0000 0.0000 34233.1317 -149509.1684 298.9665 -183742.3000 -149409.0372 298.4932 -140.0123 -107.0140 558578.7096 -1.9492 -1.9925 PRESSURE: 2977200 -173.504 147.31 -88.0163 147.308 128.844 -118.384 -88.0178 -118.383 -114.806 GPRESSURE: 2977200 -124.642 154.754 -139.814 134.289 137.404 -59.722 -68.3031 -68.4134 -73.4203 PRESSAVG: 2977200 -76.6551 1.31824 15.2859 1.31819 53.8253 29.1369 15.286 29.137 1.57242 GPRESSAVG: 2977200 -78.6747 3.62024 15.7981 0.935107 54.6833 28.9289 14.0843 31.1759 2.45504 TIMING: 2977200 CPU: 8874.06, 0.00293123/step Wall: 8874.06, 0.00293123/step, 1.64703 hours remaining, 206.531250 MB of memory in use. ENERGY: 2977200 743.5650 2086.5654 1942.0810 112.6313 -206579.3223 17913.3467 0.0000 0.0000 34386.4447 -149394.6882 300.3054 -183781.1329 -149296.5151 299.3790 -53.1553 -20.2195 557503.3589 -7.0858 -7.1788 PRESSURE: 2977400 -74.4596 65.0944 -98.9341 65.095 19.3869 -16.2121 -98.9342 -16.213 248.185 GPRESSURE: 2977400 -85.9386 57.4697 -169.422 50.8805 92.7719 -74.8882 31.8885 -33.8533 284.986 PRESSAVG: 2977400 -12.1108 -11.8182 -39.9592 -11.8182 38.9682 -31.523 -39.9594 -31.5231 -20.6669 GPRESSAVG: 2977400 -11.7649 -14.0794 -40.7799 -10.9907 38.6881 -30.6832 -40.1267 -34.1987 -20.2071 TIMING: 2977400 CPU: 8874.65, 0.002933/step Wall: 8874.65, 0.002933/step, 1.64786 hours remaining, 206.531250 MB of memory in use. ENERGY: 2977400 708.7432 2061.3730 1947.0380 105.5071 -206311.2193 17863.3016 0.0000 0.0000 34192.1701 -149433.0862 298.6087 -183625.2564 -149341.4546 298.4307 64.3708 97.2732 555788.2881 2.0635 2.2387 PRESSURE: 2977600 26.0958 -144.354 46.5468 -144.353 74.9628 118.129 46.5464 118.128 -61.1952 GPRESSURE: 2977600 91.4856 -89.7076 39.6982 -166.716 61.9657 72.0969 -49.3784 69.8488 -11.628 PRESSAVG: 2977600 31.7217 -10.5152 -23.0526 -10.5152 41.0403 -23.288 -23.0526 -23.288 -30.6988 GPRESSAVG: 2977600 32.9216 -9.19113 -24.8452 -12.5294 39.5168 -24.3026 -22.4569 -23.109 -30.0857 TIMING: 2977600 CPU: 8875.23, 0.00293214/step Wall: 8875.23, 0.00293214/step, 1.64721 hours remaining, 206.531250 MB of memory in use. ENERGY: 2977600 766.9571 2071.1181 1921.0977 118.3281 -206305.4774 17895.1161 0.0000 0.0000 34233.2324 -149299.6278 298.9673 -183532.8602 -149203.7717 299.1995 13.2878 47.2745 557382.9793 14.0211 14.1176 PRESSURE: 2977800 -305.998 -22.7987 -236.131 -22.7985 -155.077 -13.6272 -236.133 -13.6271 -26.2035 GPRESSURE: 2977800 -268.703 -36.7647 -207.775 -14.7857 -139.762 28.7783 -252.135 -40.1872 8.84171 PRESSAVG: 2977800 -30.8551 14.101 -20.462 14.101 0.128625 -33.2708 -20.462 -33.2708 -45.4321 GPRESSAVG: 2977800 -30.9815 12.1561 -18.1079 14.1538 1.13556 -34.4933 -21.3571 -33.0671 -46.1121 TIMING: 2977800 CPU: 8875.82, 0.0029533/step Wall: 8875.82, 0.0029533/step, 1.65894 hours remaining, 206.531250 MB of memory in use. ENERGY: 2977800 766.7990 2109.4580 1914.4820 121.5981 -205867.3302 17487.9222 0.0000 0.0000 34243.5582 -149223.5127 299.0575 -183467.0709 -149120.2661 299.5359 -162.4261 -133.2077 556843.0397 -25.3862 -25.3193 PRESSURE: 2978000 29.9049 -105.743 -84.3139 -105.743 -61.6666 20.6103 -84.3141 20.6127 347.442 GPRESSURE: 2978000 73.3733 -65.8512 -41.8427 -106.633 17.4173 40.636 -103.619 -20.2446 315.32 PRESSAVG: 2978000 -3.37537 1.69181 -66.0342 1.69178 10.4781 -33.7688 -66.0342 -33.7688 1.05468 GPRESSAVG: 2978000 -2.72196 2.12053 -66.2535 3.65945 9.28756 -31.5558 -66.6758 -34.0506 0.663468 TIMING: 2978000 CPU: 8876.41, 0.00292599/step Wall: 8876.41, 0.00292599/step, 1.64343 hours remaining, 206.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2978000 726.7355 2146.3069 1943.3223 106.4405 -206037.4773 17691.1179 0.0000 0.0000 34237.9135 -149185.6407 299.0082 -183423.5542 -149078.1121 299.7185 105.2266 135.3702 557160.5920 2.7191 2.4097 PRESSURE: 2978200 145.843 113.267 -26.6301 113.266 -152.174 -58.4967 -26.6301 -58.4969 -18.698 GPRESSURE: 2978200 154.762 98.6335 -110.797 84.8278 -136.918 62.685 18.6203 -93.2615 54.0874 PRESSAVG: 2978200 -31.7561 15.7739 -4.12189 15.7739 7.70694 0.614003 -4.12186 0.613966 16.8982 GPRESSAVG: 2978200 -31.8374 15.9297 -5.20457 12.8672 7.70563 -1.49318 -1.88533 2.43557 16.9601 TIMING: 2978200 CPU: 8876.99, 0.00292436/step Wall: 8876.99, 0.00292436/step, 1.64235 hours remaining, 206.531250 MB of memory in use. ENERGY: 2978200 762.5106 2111.8294 1921.1469 118.9406 -206315.0568 17877.6317 0.0000 0.0000 34334.4965 -149188.5010 299.8517 -183522.9975 -149090.8099 299.1953 -8.3431 23.9769 556071.2626 -2.3836 -2.3906 PRESSURE: 2978400 53.0165 -0.609601 11.9687 -0.610597 -0.354794 -97.1974 11.9692 -97.1968 43.3944 GPRESSURE: 2978400 87.1355 7.766 76.6638 17.0126 5.19659 -83.3506 -21.191 -147.375 84.0823 PRESSAVG: 2978400 -57.6171 -11.2769 20.7237 -11.2769 19.3942 -0.701558 20.7237 -0.701598 3.32112 GPRESSAVG: 2978400 -56.2065 -10.3447 22.0516 -10.4487 18.5266 -2.98774 20.892 1.12126 2.53117 TIMING: 2978400 CPU: 8877.59, 0.00296187/step Wall: 8877.59, 0.00296187/step, 1.66325 hours remaining, 206.531250 MB of memory in use. ENERGY: 2978400 748.0717 2149.0168 1941.8376 110.3093 -206029.4524 17697.1299 0.0000 0.0000 34139.5759 -149243.5111 298.1494 -183383.0870 -149146.0804 299.7787 32.0187 58.8048 555557.8138 -11.6339 -11.7163 PRESSURE: 2978600 235.02 4.85612 -90.1957 4.85715 21.5144 10.3698 -90.1952 10.3704 -186.664 GPRESSURE: 2978600 218.454 47.6284 -74.3751 -33.3183 93.6849 27.0125 -58.7233 57.4008 -143.757 PRESSAVG: 2978600 50.2706 40.8203 -18.4571 40.8203 -40.7275 20.8921 -18.4571 20.892 -16.749 GPRESSAVG: 2978600 48.6407 41.3141 -17.9431 41.8539 -39.1275 22.1829 -19.9061 19.5269 -16.4274 TIMING: 2978600 CPU: 8878.18, 0.0029671/step Wall: 8878.18, 0.0029671/step, 1.66603 hours remaining, 206.531250 MB of memory in use. ENERGY: 2978600 733.8588 2113.9782 1936.8281 110.3155 -206485.2495 17968.2241 0.0000 0.0000 34268.8282 -149353.2165 299.2782 -183622.0447 -149261.2576 298.7168 23.2901 56.1276 555856.3888 -2.4020 -2.3048 PRESSURE: 2978800 214.93 -52.8459 98.9519 -52.8455 99.3928 72.0366 98.9521 72.0358 -1.85625 GPRESSURE: 2978800 234.193 -29.0775 108.469 -74.5062 84.9895 32.6036 74.1736 61.3262 82.1946 PRESSAVG: 2978800 33.1452 3.30503 9.79767 3.30504 -27.4419 47.7425 9.79766 47.7425 -0.599972 GPRESSAVG: 2978800 32.7628 3.16889 9.74115 1.55813 -27.3588 48.3895 9.36486 47.2685 -0.507688 TIMING: 2978800 CPU: 8878.77, 0.00296778/step Wall: 8878.77, 0.00296778/step, 1.66625 hours remaining, 206.531250 MB of memory in use. ENERGY: 2978800 762.6039 2127.2743 1927.9146 106.2320 -206086.1917 17713.8722 0.0000 0.0000 34101.7006 -149346.5940 297.8186 -183448.2946 -149255.2886 299.3420 104.1556 133.7923 556201.9732 1.7011 1.6321 PRESSURE: 2979000 -107.774 -98.6324 34.7585 -98.6321 -43.602 243.479 34.7585 243.479 -112.692 GPRESSURE: 2979000 -66.6728 -158.851 -6.99899 -66.5344 17.6853 200.063 -33.2349 265.747 -131.513 PRESSAVG: 2979000 -31.6965 33.5128 -66.3061 33.5128 -22.1091 40.187 -66.3061 40.1869 35.65 GPRESSAVG: 2979000 -30.9504 32.2223 -67.1897 36.6231 -23.1023 40.1742 -66.6561 40.7512 36.1049 TIMING: 2979000 CPU: 8879.37, 0.00297145/step Wall: 8879.37, 0.00297145/step, 1.66814 hours remaining, 206.531250 MB of memory in use. ENERGY: 2979000 780.6436 2054.7706 1907.3071 114.9384 -206058.0229 17527.2912 0.0000 0.0000 34274.1104 -149398.9615 299.3243 -183673.0719 -149313.0838 298.9663 -88.0228 -60.1668 556300.0001 -6.0519 -5.9826 PRESSURE: 2979200 -247.239 -63.2862 34.4258 -63.2862 -293.422 168.03 34.4266 168.03 -214.852 GPRESSURE: 2979200 -250.482 -45.1007 69.6054 -7.4035 -226.085 157.398 158.397 180.335 -191.303 PRESSAVG: 2979200 -64.9667 -21.2999 -30.6351 -21.3 7.57194 68.7412 -30.6351 68.7412 22.0603 GPRESSAVG: 2979200 -65.002 -22.1278 -29.4779 -22.5894 7.65105 69.169 -29.3069 67.8755 21.6373 TIMING: 2979200 CPU: 8879.97, 0.00302055/step Wall: 8879.97, 0.00302055/step, 1.69553 hours remaining, 206.531250 MB of memory in use. ENERGY: 2979200 771.7148 2097.5413 1911.5616 109.2096 -206024.3350 17639.8991 0.0000 0.0000 34118.6624 -149375.7463 297.9668 -183494.4087 -149283.6032 298.9702 -251.8378 -222.6234 558064.7600 -11.7782 -11.9046 PRESSURE: 2979400 -22.1289 -91.5788 3.54494 -91.5775 -53.3721 23.0873 3.54482 23.088 -21.2931 GPRESSURE: 2979400 17.8669 -32.3555 62.4955 -120.146 -42.1914 -53.1805 -42.2478 57.5226 33.8847 PRESSAVG: 2979400 -55.0976 -53.1193 -15.8724 -53.1194 -4.46035 36.1422 -15.8724 36.1421 32.2579 GPRESSAVG: 2979400 -55.2369 -50.0092 -17.2479 -53.209 -5.24849 35.0741 -14.7944 35.2813 33.2431 TIMING: 2979400 CPU: 8880.57, 0.00299027/step Wall: 8880.57, 0.00299027/step, 1.67837 hours remaining, 206.531250 MB of memory in use. ENERGY: 2979400 757.8611 2056.6002 1907.8365 91.6295 -206369.0713 17848.1691 0.0000 0.0000 34163.9000 -149543.0749 298.3618 -183706.9749 -149450.4673 298.8654 -32.2647 3.1868 558066.2618 -9.1000 -9.0808 PRESSURE: 2979600 8.27869 -217.801 -72.4556 -217.8 75.0386 6.62132 -72.4564 6.62062 41.0673 GPRESSURE: 2979600 65.4875 -191.587 -10.6435 -231.776 137.127 -0.101583 -64.9053 -9.36092 12.334 PRESSAVG: 2979600 0.847028 -67.0323 -21.6698 -67.0322 -25.588 29.2246 -21.6697 29.2247 35.8242 GPRESSAVG: 2979600 -0.392607 -68.8096 -19.8693 -66.8543 -24.9576 30.9774 -24.2451 28.9748 35.8755 TIMING: 2979600 CPU: 8881.17, 0.00298766/step Wall: 8881.17, 0.00298766/step, 1.67674 hours remaining, 206.531250 MB of memory in use. ENERGY: 2979600 725.9403 2045.6146 1911.6962 99.8770 -206140.2639 17900.8803 0.0000 0.0000 34003.1921 -149453.0634 296.9583 -183456.2555 -149360.0935 298.5232 41.4615 71.6496 559205.6301 3.6944 3.5084 PRESSURE: 2979800 -32.0683 -88.9273 -77.0707 -88.9285 -147.368 -163.886 -77.071 -163.889 -27.1546 GPRESSURE: 2979800 48.3185 -61.6701 -135.489 -133.603 -85.7033 -190.005 -46.385 -104.812 -66.9448 PRESSAVG: 2979800 5.26079 -84.0916 1.75788 -84.0916 -7.8914 27.4995 1.75781 27.4994 -9.5037 GPRESSAVG: 2979800 7.27207 -84.2125 -0.606611 -84.2058 -8.1981 27.3245 2.41091 29.2919 -10.2771 TIMING: 2979800 CPU: 8881.76, 0.00297832/step Wall: 8881.76, 0.00297832/step, 1.67134 hours remaining, 206.531250 MB of memory in use. ENERGY: 2979800 724.3696 2079.0178 1906.7467 114.9496 -206119.6099 17758.9082 0.0000 0.0000 34135.8931 -149399.7250 298.1172 -183535.6181 -149298.6598 298.3228 -68.8636 -34.7765 558066.4131 -4.0448 -3.7344 PRESSURE: 2980000 -2.82787 -9.9189 6.36556 -9.92037 -87.8699 -46.6696 6.36579 -46.6695 61.2828 GPRESSURE: 2980000 93.2993 -35.4246 -17.3062 -51.1482 -79.1668 -45.9605 30.7271 -28.3312 46.5039 PRESSAVG: 2980000 43.6085 -21.7832 -10.061 -21.7833 7.16885 4.77105 -10.0609 4.7709 -67.0988 GPRESSAVG: 2980000 43.8076 -20.8713 -9.3341 -20.5923 6.17125 6.20678 -10.2175 3.44675 -66.1007 TIMING: 2980000 CPU: 8882.35, 0.00295102/step Wall: 8882.35, 0.00295102/step, 1.65585 hours remaining, 206.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2980000 718.5019 2125.2491 1880.0079 107.4231 -206148.0598 17784.2914 0.0000 0.0000 34046.0487 -149486.5377 297.3326 -183532.5864 -149384.5948 298.3097 -9.8050 20.2121 557844.1922 -5.4405 -5.3740 PRESSURE: 2980200 -340.644 -206.067 39.7624 -206.067 91.0806 45.0944 39.7621 45.0958 136.026 GPRESSURE: 2980200 -314.235 -191.099 52.1273 -195.288 159.514 61.3009 84.0851 37.5928 140.308 PRESSAVG: 2980200 -26.3022 -49.4054 5.54289 -49.4055 -54.4594 -14.7581 5.54289 -14.758 72.8051 GPRESSAVG: 2980200 -27.135 -49.9627 4.8932 -49.5501 -53.2862 -15.6313 6.33191 -14.4172 72.1714 TIMING: 2980200 CPU: 8882.95, 0.00297984/step Wall: 8882.95, 0.00297984/step, 1.67186 hours remaining, 206.531250 MB of memory in use. ENERGY: 2980200 716.0608 2072.6282 1924.7170 108.2949 -206368.0397 17826.2929 0.0000 0.0000 34305.2986 -149414.7472 299.5967 -183720.0459 -149323.7163 298.6946 -37.8458 -4.8043 557984.8094 -2.6521 -2.7499 LDB: ============= START OF LOAD BALANCING ============== 8886.49 LDB: ============== END OF LOAD BALANCING =============== 8886.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8886.5 LDB: ============= START OF LOAD BALANCING ============== 8886.79 LDB: Largest compute 4773 load 0.027377 is 23.2% of average load 0.118234 LDB: Average compute 0.001740 is 1.5% of average load 0.118234 LDB: TIME 8886.79 LOAD: AVG 0.118234 MAX 0.201524 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.074 MB LDB: TIME 8886.79 LOAD: AVG 0.118234 MAX 0.201524 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.113 MB LDB: TIME 8886.79 LOAD: AVG 0.118234 MAX 0.201524 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.113 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8886.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8886.8 PRESSURE: 2980400 -22.9139 -61.4126 -22.2263 -61.4119 16.9583 23.8314 -22.2265 23.8331 -36.1297 GPRESSURE: 2980400 -6.34075 -0.922201 -32.5248 -60.228 80.4992 75.0715 20.6757 15.7863 -16.627 PRESSAVG: 2980400 -17.4778 -6.73592 2.70344 -6.73582 -2.39722 44.6673 2.7034 44.6673 50.4524 GPRESSAVG: 2980400 -18.2138 -5.44671 2.84119 -8.36482 -2.49088 44.4193 3.48283 44.9337 51.1688 TIMING: 2980400 CPU: 8883.55, 0.00300828/step Wall: 8883.55, 0.00300828/step, 1.68764 hours remaining, 206.882812 MB of memory in use. ENERGY: 2980400 714.5681 2036.5429 1931.5195 124.6783 -205778.3223 17601.4225 0.0000 0.0000 34060.0252 -149309.5658 297.4547 -183369.5910 -149210.8627 298.6684 -14.0284 19.1772 557141.0547 10.1925 10.1547 PRESSURE: 2980600 -78.3185 -161.942 107.469 -161.942 88.7125 -117.376 107.469 -117.375 -162.421 GPRESSURE: 2980600 -88.2919 -192.975 83.2666 -165.514 141.932 -169.224 128.392 -76.7724 -112.117 PRESSAVG: 2980600 -43.6358 -29.9666 4.296 -29.9666 -27.319 -9.25275 4.296 -9.25276 23.1471 GPRESSAVG: 2980600 -43.5329 -32.0215 3.26299 -29.7007 -27.2259 -10.2398 2.24528 -11.3571 23.0812 TIMING: 2980600 CPU: 8884.14, 0.00292994/step Wall: 8884.14, 0.00292994/step, 1.64354 hours remaining, 206.882812 MB of memory in use. ENERGY: 2980600 755.4050 2067.6911 1938.7568 108.5419 -206344.4018 17877.0659 0.0000 0.0000 34078.0229 -149518.9181 297.6119 -183596.9410 -149425.1190 298.1472 -50.6757 -19.4926 557701.2300 -15.9359 -15.8925 PRESSURE: 2980800 303.679 78.5914 -80.3477 78.5909 -33.6719 -31.7055 -80.3467 -31.705 115.783 GPRESSURE: 2980800 349.617 18.5187 -116.908 96.586 -17.7383 19.0875 -141.623 -51.3715 152.511 PRESSAVG: 2980800 -10.988 -5.82265 44.8333 -5.82261 -23.9915 52.5578 44.8331 52.5577 31.1516 GPRESSAVG: 2980800 -10.138 -6.93096 47.2242 -3.16774 -24.7505 55.3106 45.7697 51.416 31.4108 TIMING: 2980800 CPU: 8884.72, 0.00292757/step Wall: 8884.72, 0.00292757/step, 1.64204 hours remaining, 206.882812 MB of memory in use. ENERGY: 2980800 741.0639 2026.3028 1925.2637 102.6165 -206697.3988 18146.5456 0.0000 0.0000 34097.2359 -149658.3704 297.7796 -183755.6063 -149563.3513 297.4300 128.5968 161.4633 557208.8280 -1.2760 -1.1592 PRESSURE: 2981000 -414.645 105.546 67.916 105.548 -100.536 -164.25 67.9152 -164.251 195.138 GPRESSURE: 2981000 -410.29 85.2556 22.0527 129.041 -40.0532 -118.555 32.9857 -132.54 217.418 PRESSAVG: 2981000 -40.6584 53.6737 -5.45432 53.6738 -33.768 39.9258 -5.45445 39.9258 59.7971 GPRESSAVG: 2981000 -40.6778 58.5832 -6.18611 51.1838 -32.3954 38.8044 -5.31448 43.5272 58.7483 TIMING: 2981000 CPU: 8885.31, 0.00293664/step Wall: 8885.31, 0.00293664/step, 1.64697 hours remaining, 206.882812 MB of memory in use. ENERGY: 2981000 696.0930 2115.7029 1955.8338 107.7055 -206194.3769 17527.8041 0.0000 0.0000 34248.1221 -149543.1155 299.0974 -183791.2377 -149445.7251 298.2819 -106.6811 -77.6416 557652.9032 -4.8764 -4.7750 PRESSURE: 2981200 -198.393 -2.72811 21.8551 -2.72696 -118.508 -11.1749 21.8543 -11.1756 -95.0816 GPRESSURE: 2981200 -113.619 -55.4831 -0.683725 1.96072 -76.0213 -8.05485 -6.13988 -30.0335 -126.977 PRESSAVG: 2981200 -45.739 72.4716 55.2988 72.4716 16.131 20.9318 55.2988 20.9318 43.2197 GPRESSAVG: 2981200 -46.2111 71.2038 54.4263 72.2324 17.0048 18.0161 54.2963 20.9702 43.0567 TIMING: 2981200 CPU: 8885.9, 0.00294749/step Wall: 8885.9, 0.00294749/step, 1.65289 hours remaining, 206.882812 MB of memory in use. ENERGY: 2981200 745.7277 2107.1685 1959.5636 117.3515 -206146.4664 17523.6395 0.0000 0.0000 34097.4104 -149595.6051 297.7812 -183693.0155 -149512.1360 297.7998 -137.3275 -105.5392 556869.4346 4.5372 4.6168 PRESSURE: 2981400 -57.9852 84.8058 -7.94459 84.807 -104.564 15.8851 -7.94442 15.8851 -67.9429 GPRESSURE: 2981400 -29.2751 215.086 -23.8019 -49.8512 -62.014 22.8315 -38.2857 74.9466 -45.3546 PRESSAVG: 2981400 12.4062 39.9669 -40.2399 39.9668 31.8892 7.18149 -40.2398 7.18146 -44.6031 GPRESSAVG: 2981400 13.1943 38.6967 -38.8859 41.3718 29.5062 7.86286 -38.8956 7.1277 -42.5673 TIMING: 2981400 CPU: 8886.49, 0.00295078/step Wall: 8886.49, 0.00295078/step, 1.65457 hours remaining, 206.882812 MB of memory in use. ENERGY: 2981400 735.2324 2123.9488 1905.0813 104.6856 -206257.0967 17765.5044 0.0000 0.0000 34118.6639 -149503.9802 297.9668 -183622.6442 -149405.8993 298.1866 -76.8309 -45.5479 558023.4774 -0.1026 0.0444 PRESSURE: 2981600 191.279 -44.9118 -29.6038 -44.9138 -71.8281 124.019 -29.6039 124.019 -14.9817 GPRESSURE: 2981600 222.125 -15.3932 -72.8388 -144.639 -14.2784 137.928 -13.4426 112.254 10.9607 PRESSAVG: 2981600 19.9684 22.1021 -47.9978 22.102 -11.3289 -24.3603 -47.9978 -24.3602 10.7957 GPRESSAVG: 2981600 20.2678 21.7082 -47.0866 21.4271 -10.4645 -23.7679 -49.0077 -24.8173 9.85323 TIMING: 2981600 CPU: 8887.08, 0.00294279/step Wall: 8887.08, 0.00294279/step, 1.64992 hours remaining, 206.917969 MB of memory in use. ENERGY: 2981600 728.6531 2106.0988 1907.1731 110.8535 -206367.3089 17927.4195 0.0000 0.0000 34172.4886 -149414.6222 298.4368 -183587.1109 -149323.9540 298.3970 34.8230 72.9356 558844.4540 6.4784 6.5522 PRESSURE: 2981800 -215.571 -39.7552 -48.4429 -39.7545 -149.015 128.62 -48.4431 128.62 -363.429 GPRESSURE: 2981800 -153.163 -0.381187 -3.34507 -20.7667 -144.92 53.4126 -132.182 112.01 -341.635 PRESSAVG: 2981800 48.7347 9.99425 -8.24126 9.99425 -15.8202 18.7755 -8.24129 18.7755 -32.2971 GPRESSAVG: 2981800 46.8619 10.0724 -9.81238 10.2432 -14.8578 20.6435 -9.93205 18.464 -31.4378 TIMING: 2981800 CPU: 8887.67, 0.00294857/step Wall: 8887.67, 0.00294857/step, 1.653 hours remaining, 206.917969 MB of memory in use. ENERGY: 2981800 766.7994 2159.2300 1945.2629 111.8781 -205776.8772 17569.6810 0.0000 0.0000 33923.5932 -149300.4326 296.2632 -183224.0258 -149214.5836 298.2062 -242.6717 -213.2392 561736.5406 0.2058 0.1887 PRESSURE: 2982000 98.1571 -103.033 114.639 -103.033 -61.456 -201.268 114.639 -201.27 5.68108 GPRESSURE: 2982000 128.616 -95.8776 23.248 -159.95 28.4373 -222.727 163.293 -243.759 -30.3903 PRESSAVG: 2982000 44.7729 -47.7503 -35.2494 -47.7504 4.18169 17.4041 -35.2494 17.4043 -27.4909 GPRESSAVG: 2982000 46.2848 -47.73 -35.6389 -48.2284 3.94481 15.5195 -32.9483 16.8827 -28.4596 TIMING: 2982000 CPU: 8888.26, 0.00295063/step Wall: 8888.26, 0.00295063/step, 1.65399 hours remaining, 206.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2982000 723.9476 2070.2767 1939.5567 114.8541 -206349.7179 17933.6930 0.0000 0.0000 34122.4446 -149444.9452 297.9998 -183567.3899 -149347.0256 298.0448 14.1274 42.2209 559202.8363 7.1545 7.2567 PRESSURE: 2982200 -12.6924 22.9732 47.2513 22.9736 -126.014 -33.6893 47.2513 -33.6909 -54.8675 GPRESSURE: 2982200 5.48629 41.7602 -32.8272 -41.7955 -62.5351 28.1131 52.8172 -72.9434 -40.8416 PRESSAVG: 2982200 -10.1081 -22.131 5.81874 -22.131 -37.0605 -11.7518 5.81889 -11.7517 21.5751 GPRESSAVG: 2982200 -11.0475 -21.7517 6.96115 -22.6682 -37.0053 -10.5276 5.60368 -11.2678 22.3549 TIMING: 2982200 CPU: 8888.85, 0.00295891/step Wall: 8888.85, 0.00295891/step, 1.65847 hours remaining, 206.917969 MB of memory in use. ENERGY: 2982200 771.5144 2094.8250 1936.9792 112.3379 -206573.1408 17940.0453 0.0000 0.0000 34302.2677 -149415.1714 299.5702 -183717.4391 -149314.7964 298.4234 -64.5245 -32.6301 557230.9035 -8.5312 -8.5660 PRESSURE: 2982400 145.411 56.8056 131.931 56.8047 -227.974 13.1024 131.932 13.1028 219.172 GPRESSURE: 2982400 119.378 95.848 120.496 37.7345 -191.456 57.4763 138.787 -67.5295 315.976 PRESSAVG: 2982400 40.9513 -20.0347 -19.0341 -20.0347 -77.5332 -25.4801 -19.0341 -25.48 7.67407 GPRESSAVG: 2982400 41.0124 -19.1876 -18.8362 -20.0468 -76.8984 -24.8171 -19.7027 -26.4726 7.00267 TIMING: 2982400 CPU: 8889.44, 0.00293988/step Wall: 8889.44, 0.00293988/step, 1.64764 hours remaining, 206.917969 MB of memory in use. ENERGY: 2982400 729.4341 2049.7294 1936.4743 98.1743 -206214.6657 17855.8124 0.0000 0.0000 34279.3476 -149265.6937 299.3701 -183545.0413 -149173.2655 299.5441 45.5363 81.2989 557994.3120 -9.6359 -9.6278 PRESSURE: 2982600 -52.0166 87.7749 51.3196 87.776 -259.833 149.805 51.319 149.806 -74.9452 GPRESSURE: 2982600 -40.9764 82.4222 131.348 21.2648 -182.812 170.686 5.24563 175.986 -68.1137 PRESSAVG: 2982600 -13.7089 1.3605 49.8374 1.36049 -7.71567 -14.23 49.8374 -14.23 -23.1815 GPRESSAVG: 2982600 -15.4965 0.976122 48.8897 2.40117 -7.41702 -12.8062 49.9559 -14.3549 -21.3497 TIMING: 2982600 CPU: 8890.03, 0.00295383/step Wall: 8890.03, 0.00295383/step, 1.65529 hours remaining, 206.917969 MB of memory in use. ENERGY: 2982600 743.4462 2066.2734 1942.4704 124.6645 -205873.8587 17734.9072 0.0000 0.0000 34085.3170 -149176.7800 297.6756 -183262.0970 -149079.5673 299.6613 -128.9315 -97.3008 558857.1930 -14.8687 -14.7544 PRESSURE: 2982800 -100.722 -6.33782 -39.4621 -6.33748 -124.851 -88.8633 -39.4611 -88.8632 297.13 GPRESSURE: 2982800 -72.2251 51.7518 -51.4034 -42.9986 -101.22 -73.2003 -44.5581 -1.36198 342.595 PRESSAVG: 2982800 -10.565 16.7757 70.1335 16.7756 -20.3053 -39.1684 70.1334 -39.1684 59.5777 GPRESSAVG: 2982800 -9.08883 15.8182 71.6672 16.7869 -21.9661 -42.2432 69.7979 -37.2317 59.7371 TIMING: 2982800 CPU: 8890.62, 0.00294889/step Wall: 8890.62, 0.00294889/step, 1.65236 hours remaining, 206.917969 MB of memory in use. ENERGY: 2982800 759.2822 2162.1504 1939.4342 108.9625 -206732.4068 18029.4387 0.0000 0.0000 34453.8325 -149279.3062 300.8939 -183733.1387 -149184.2750 299.8559 23.8523 56.3834 557107.6449 9.5691 9.5607 PRESSURE: 2983000 56.2798 -55.1496 -134.542 -55.1504 43.5562 -207.394 -134.543 -207.393 230.52 GPRESSURE: 2983000 107.923 -50.5494 -94.8792 -43.1364 86.4705 -215.098 -142.598 -264.119 233.116 PRESSAVG: 2983000 -40.4139 34.6025 -58.5632 34.6026 -45.2402 -20.3512 -58.5632 -20.351 67.0268 GPRESSAVG: 2983000 -40.5122 34.0477 -60.0626 35.7152 -44.4842 -18.683 -60.5443 -22.6708 65.9261 TIMING: 2983000 CPU: 8891.2, 0.00293524/step Wall: 8891.2, 0.00293524/step, 1.64455 hours remaining, 206.917969 MB of memory in use. ENERGY: 2983000 744.4342 2137.4508 1942.1814 122.3696 -206458.6066 17878.9702 0.0000 0.0000 34226.0696 -149407.1309 298.9048 -183633.2006 -149308.9764 299.0297 110.1187 142.5029 555836.3119 -6.2091 -6.3567 PRESSURE: 2983200 186.561 102.196 13.6641 102.198 124.973 -7.87334 13.6647 -7.8735 -41.4047 GPRESSURE: 2983200 204.328 33.3878 38.1204 125.98 174.73 49.4154 34.4021 -19.6584 -9.951 PRESSAVG: 2983200 -63.5353 0.634061 -40.1676 0.634016 56.4375 -44.3116 -40.1677 -44.3115 23.7767 GPRESSAVG: 2983200 -63.2363 3.22187 -39.9635 -2.03054 56.4526 -44.6491 -39.0734 -43.3376 23.9548 TIMING: 2983200 CPU: 8891.8, 0.00295859/step Wall: 8891.8, 0.00295859/step, 1.65747 hours remaining, 206.917969 MB of memory in use. ENERGY: 2983200 726.2211 2067.7161 1944.4914 98.7542 -206573.9654 18003.9700 0.0000 0.0000 34357.8903 -149374.9224 300.0560 -183732.8126 -149273.0091 298.9131 90.0431 123.0354 557319.0987 5.5597 5.7237 PRESSURE: 2983400 -43.8222 -29.4924 169.952 -29.4921 -16.9395 -108.185 169.953 -108.186 -229.693 GPRESSURE: 2983400 -12.5764 74.1608 30.6731 -73.4863 -19.5171 -265.9 123.967 -123.162 -166.232 PRESSAVG: 2983400 64.699 -55.6867 43.6428 -55.6866 -36.6291 -70.1615 43.6429 -70.1615 -13.6963 GPRESSAVG: 2983400 64.9064 -56.3944 44.1801 -53.7999 -36.3878 -71.041 44.4162 -70.3901 -13.745 TIMING: 2983400 CPU: 8892.39, 0.00295458/step Wall: 8892.39, 0.00295458/step, 1.65506 hours remaining, 206.917969 MB of memory in use. ENERGY: 2983400 751.2667 2078.0490 1927.7231 110.8979 -206006.2917 17656.4182 0.0000 0.0000 34291.2829 -149190.6539 299.4743 -183481.9368 -149088.7273 299.0990 -96.8182 -66.1086 557671.5403 4.7912 4.9245 PRESSURE: 2983600 117.079 68.1981 -105.765 68.1991 57.7121 32.473 -105.766 32.4733 160.274 GPRESSURE: 2983600 75.6721 86.7532 -138.868 49.7811 129.487 38.7009 -52.3189 84.0401 232.165 PRESSAVG: 2983600 30.1659 10.0175 -1.22541 10.0175 29.1214 -8.89 -1.22542 -8.89001 -35.0372 GPRESSAVG: 2983600 28.9759 9.41286 -1.22324 9.07921 29.2629 -8.30029 -2.41361 -8.98771 -34.5822 TIMING: 2983600 CPU: 8892.98, 0.00296314/step Wall: 8892.98, 0.00296314/step, 1.65969 hours remaining, 206.917969 MB of memory in use. ENERGY: 2983600 724.9987 2048.5247 1957.8181 99.7630 -206131.7281 17852.4414 0.0000 0.0000 34342.6736 -149105.5086 299.9231 -183448.1822 -149006.4227 299.5632 111.6884 145.7749 557332.1953 8.0834 7.8855 PRESSURE: 2983800 84.8206 -72.8545 -157.707 -72.8555 -108.991 -71.5887 -157.707 -71.5878 -133.493 GPRESSURE: 2983800 89.9837 -94.7681 20.3905 -114.107 -73.8722 -122.432 -231.832 -35.5056 -64.4544 PRESSAVG: 2983800 29.142 -61.7962 -12.9877 -61.7962 7.55876 0.856486 -12.9877 0.856432 -5.1793 GPRESSAVG: 2983800 30.1402 -61.3614 -15.3051 -61.5082 6.98677 0.212843 -9.89893 1.38253 -5.72406 TIMING: 2983800 CPU: 8893.58, 0.00298539/step Wall: 8893.58, 0.00298539/step, 1.67198 hours remaining, 206.917969 MB of memory in use. ENERGY: 2983800 760.0464 2079.9538 1942.1668 109.6553 -206374.0613 17881.6054 0.0000 0.0000 34340.7434 -149259.8901 299.9063 -183600.6335 -149162.7344 299.4528 -52.5544 -16.1143 557130.9858 10.5072 10.4677 PRESSURE: 2984000 -2.24 95.4386 31.0041 95.4384 -213.769 42.2347 31.004 42.2351 -32.4164 GPRESSURE: 2984000 18.7741 139.14 130.391 30.2157 -119.517 45.654 63.0766 -11.8149 -41.5746 PRESSAVG: 2984000 -9.05535 19.9306 -20.2578 19.9306 11.5087 31.1694 -20.2576 31.1694 -1.78327 GPRESSAVG: 2984000 -9.08073 20.4791 -18.5082 21.2144 12.6475 30.7272 -23.2246 31.5863 -3.17779 TIMING: 2984000 CPU: 8894.16, 0.00291916/step Wall: 8894.16, 0.00291916/step, 1.63473 hours remaining, 206.917969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2984000 739.6884 2106.3369 1929.3284 108.2610 -205890.5803 17750.2433 0.0000 0.0000 34175.9826 -149080.7397 298.4674 -183256.7223 -148981.6185 299.5395 -82.8086 -47.4393 558515.4827 0.2234 0.1296 PRESSURE: 2984200 -3.77483 -135.272 23.1151 -135.272 17.347 -54.6378 23.1158 -54.6391 149.889 GPRESSURE: 2984200 33.1925 -111.485 -78.6713 -189.62 53.3725 -123.335 106.965 9.76513 183.057 PRESSAVG: 2984200 -51.4669 -15.9199 -24.5326 -15.92 69.4678 44.4659 -24.5326 44.4659 -4.77683 GPRESSAVG: 2984200 -52.1312 -17.7901 -24.3732 -17.6018 69.0682 44.4143 -24.9277 44.102 -3.40843 TIMING: 2984200 CPU: 8894.75, 0.00295337/step Wall: 8894.75, 0.00295337/step, 1.65373 hours remaining, 206.921875 MB of memory in use. ENERGY: 2984200 748.6874 2137.3054 1915.9929 114.3340 -206078.3444 17811.6187 0.0000 0.0000 34295.2026 -149055.2034 299.5085 -183350.4059 -148957.9608 300.1629 54.4871 89.8740 556353.4259 4.4080 4.5095 LDB: ============= START OF LOAD BALANCING ============== 8898.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8898.3 LDB: =============== DONE WITH MIGRATION ================ 8898.3 LDB: ============= START OF LOAD BALANCING ============== 8898.59 LDB: Largest compute 4773 load 0.027358 is 23.2% of average load 0.118141 LDB: Average compute 0.001737 is 1.5% of average load 0.118141 LDB: TIME 8898.6 LOAD: AVG 0.118141 MAX 0.200431 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 8898.6 LOAD: AVG 0.118141 MAX 0.200431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 8898.6 LOAD: AVG 0.118141 MAX 0.200431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: ============== END OF LOAD BALANCING =============== 8898.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8898.6 PRESSURE: 2984400 -278.481 -64.9276 -153.771 -64.9269 -39.4108 9.45165 -153.772 9.45162 -73.6669 GPRESSURE: 2984400 -223.667 68.2903 -66.647 -203.871 6.60616 117.174 -205.12 -110.589 -78.135 PRESSAVG: 2984400 -62.1807 -33.0802 -0.0324558 -33.0802 -4.84539 -22.0655 -0.0324517 -22.0657 6.95629 GPRESSAVG: 2984400 -61.5542 -33.0305 0.754798 -31.5992 -5.48707 -21.7638 2.22152 -22.0643 6.79754 TIMING: 2984400 CPU: 8895.35, 0.00300643/step Wall: 8895.35, 0.00300643/step, 1.68327 hours remaining, 207.757812 MB of memory in use. ENERGY: 2984400 756.8371 2138.2450 1936.9696 126.7715 -205962.7499 17584.1288 0.0000 0.0000 34134.3711 -149285.4267 298.1040 -183419.7979 -149186.8056 300.1718 -130.5197 -98.3987 557561.5395 -20.0233 -20.0812 PRESSURE: 2984600 36.0306 -64.4891 -107.564 -64.4887 -101.703 -34.5567 -107.563 -34.5563 -129.362 GPRESSURE: 2984600 52.8034 -83.9708 -89.554 -68.0489 -62.0477 12.6113 -98.8626 -53.5473 -80.2527 PRESSAVG: 2984600 -90.6088 -18.1796 9.89764 -18.1796 41.9419 33.8193 9.89758 33.8193 13.8506 GPRESSAVG: 2984600 -90.029 -17.5916 9.66323 -19.3202 42.7088 35.569 8.33152 33.885 12.7377 TIMING: 2984600 CPU: 8895.94, 0.00294581/step Wall: 8895.94, 0.00294581/step, 1.64916 hours remaining, 207.757812 MB of memory in use. ENERGY: 2984600 731.1999 2086.9698 1945.6937 117.9383 -205912.5353 17703.1891 0.0000 0.0000 34186.6866 -149140.8579 298.5608 -183327.5445 -149034.4174 299.5218 -65.0116 -29.8324 557250.0568 -11.6054 -11.5275 PRESSURE: 2984800 -108.722 6.28503 96.6647 6.28426 -26.9192 -73.7679 96.6645 -73.7679 -73.0717 GPRESSURE: 2984800 -40.7558 -83.1034 127.348 -1.8322 -21.9512 -143.605 52.8484 -63.7617 -52.1602 PRESSAVG: 2984800 -18.1454 -2.27502 -13.1518 -2.2751 66.865 -9.62937 -13.1518 -9.62932 -26.4284 GPRESSAVG: 2984800 -19.1852 -2.56921 -13.6762 -2.60867 67.152 -8.38911 -12.1096 -10.8766 -26.1168 TIMING: 2984800 CPU: 8896.54, 0.00298814/step Wall: 8896.54, 0.00298814/step, 1.6727 hours remaining, 207.757812 MB of memory in use. ENERGY: 2984800 758.5602 2105.2604 1917.3324 107.8907 -206274.1966 17642.3000 0.0000 0.0000 34588.3625 -149154.4904 302.0688 -183742.8528 -149055.3387 299.9686 -69.5708 -38.2891 556768.7010 7.4304 7.2833 PRESSURE: 2985000 -108.085 240.905 -41.5985 240.904 -5.15326 166.897 -41.5984 166.895 -50.2517 GPRESSURE: 2985000 -114.342 179.188 -70.0474 188.039 71.1146 121.332 9.25467 148.459 -12.8438 PRESSAVG: 2985000 -25.8326 34.9591 -42.1639 34.959 12.0247 34.7351 -42.1638 34.7351 23.0487 GPRESSAVG: 2985000 -25.0282 34.7864 -43.5175 35.8799 12.3147 32.9712 -40.9795 34.6293 22.1012 TIMING: 2985000 CPU: 8897.14, 0.00298903/step Wall: 8897.14, 0.00298903/step, 1.67303 hours remaining, 207.757812 MB of memory in use. ENERGY: 2985000 754.7734 2094.4517 1942.7398 111.5248 -206038.4041 17650.9145 0.0000 0.0000 34349.0188 -149134.9812 299.9785 -183483.9999 -149035.9950 299.2614 -54.4967 -18.6905 556698.2697 3.0803 3.1292 PRESSURE: 2985200 -199.242 -50.3014 47.9882 -50.3012 -126.066 -106.259 47.9882 -106.259 71.1009 GPRESSURE: 2985200 -178.287 57.4739 109.3 22.6417 -88.8653 16.4437 -7.21778 -114.835 107.836 PRESSAVG: 2985200 -47.1442 15.5624 -15.1883 15.5625 31.8129 36.3556 -15.1882 36.3558 -7.2206 GPRESSAVG: 2985200 -48.0825 17.4632 -12.1318 16.4564 31.8086 37.8853 -16.7948 36.5517 -5.62835 TIMING: 2985200 CPU: 8897.73, 0.00298755/step Wall: 8897.73, 0.00298755/step, 1.67203 hours remaining, 207.757812 MB of memory in use. ENERGY: 2985200 730.3348 2136.8684 1929.7525 113.2645 -206226.8635 17657.1230 0.0000 0.0000 34533.6263 -149125.8940 301.5907 -183659.5203 -149028.0848 300.2168 -84.7356 -53.1053 556976.1694 -7.5173 -7.3007 PRESSURE: 2985400 -143.026 -87.7297 -152.31 -87.73 -26.9632 -132.13 -152.309 -132.13 -429.287 GPRESSURE: 2985400 -130.539 -27.6373 -107.64 -126.419 80.9577 -77.6847 -212.465 -149.136 -462.482 PRESSAVG: 2985400 42.2046 -3.50912 11.088 -3.50919 24.0733 -48.4554 11.088 -48.4553 -30.1495 GPRESSAVG: 2985400 43.2726 -2.82675 10.9162 -6.03531 23.9464 -50.6376 10.4971 -48.3407 -30.8957 TIMING: 2985400 CPU: 8898.33, 0.00298671/step Wall: 8898.33, 0.00298671/step, 1.6714 hours remaining, 207.757812 MB of memory in use. ENERGY: 2985400 741.4238 2075.1255 1945.2576 98.3942 -205827.2847 17537.7605 0.0000 0.0000 34333.9712 -149095.3519 299.8471 -183429.3231 -149001.1710 300.3448 -199.7586 -170.6878 558129.9490 12.0428 12.1078 PRESSURE: 2985600 -184.009 29.467 50.0525 29.4675 26.8119 -30.6907 50.0521 -30.6917 79.2414 GPRESSURE: 2985600 -159.827 -14.9519 70.4355 -0.494771 96.359 -99.9027 1.4346 105.257 87.9177 PRESSAVG: 2985600 -9.66507 -10.422 28.7958 -10.4219 -7.20274 48.1864 28.7958 48.1864 -45.9028 GPRESSAVG: 2985600 -10.6312 -14.8408 28.0502 -7.98184 -6.89234 48.0259 27.3697 47.1995 -45.6178 TIMING: 2985600 CPU: 8898.93, 0.00297163/step Wall: 8898.93, 0.00297163/step, 1.66279 hours remaining, 207.757812 MB of memory in use. ENERGY: 2985600 784.0625 2149.9901 1892.1398 117.3934 -206196.3509 17855.5949 0.0000 0.0000 34208.6178 -149188.5525 298.7524 -183397.1702 -149097.3580 299.9207 -25.9854 8.1499 557791.1346 -20.9235 -21.0471 PRESSURE: 2985800 -113.925 -97.501 -35.1017 -97.5013 337.327 -7.89321 -35.1031 -7.89256 172.586 GPRESSURE: 2985800 -92.034 -109.064 38.2623 -59.0678 399.091 40.3958 -6.11827 20.3061 200.905 PRESSAVG: 2985800 -56.2505 30.9851 8.77048 30.985 106.569 6.27886 8.77055 6.27885 -49.3509 GPRESSAVG: 2985800 -55.1597 35.2626 9.11401 28.7077 105.822 8.27546 11.3728 5.76849 -48.8926 TIMING: 2985800 CPU: 8899.52, 0.00296151/step Wall: 8899.52, 0.00296151/step, 1.65696 hours remaining, 207.757812 MB of memory in use. ENERGY: 2985800 758.9518 2127.4025 1913.1360 113.4565 -206305.2948 17886.1541 0.0000 0.0000 34190.5110 -149315.6829 298.5942 -183506.1939 -149221.5390 298.9381 131.9960 169.3206 556209.7595 0.3226 0.5897 PRESSURE: 2986000 136.098 -8.11903 38.1962 -8.11853 -52.0187 36.741 38.196 36.7408 133.603 GPRESSURE: 2986000 162.64 7.25076 48.3282 35.4869 22.1903 27.6279 81.6348 2.83049 123.395 PRESSAVG: 2986000 22.525 17.2949 -58.7612 17.2949 14.4743 11.0825 -58.7612 11.0822 -50.0109 GPRESSAVG: 2986000 23.1455 15.8344 -59.5185 19.6001 14.5068 10.7823 -61.1831 11.8135 -50.3883 TIMING: 2986000 CPU: 8900.11, 0.00294296/step Wall: 8900.11, 0.00294296/step, 1.64642 hours remaining, 207.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2986000 717.5221 2047.4350 1925.6834 120.4275 -206534.5636 17945.3674 0.0000 0.0000 34376.4994 -149401.6287 300.2185 -183778.1281 -149298.1297 298.7004 72.5606 102.7418 557179.8258 -4.3372 -4.2453 PRESSURE: 2986200 46.9757 -151.661 132.799 -151.66 263.679 -5.82112 132.799 -5.82239 -3.97167 GPRESSURE: 2986200 117.833 -128.375 157.51 -153.473 215.289 -20.1328 -1.73054 42.3101 67.9968 PRESSAVG: 2986200 1.75573 38.995 -69.545 38.995 -45.5282 -24.6312 -69.545 -24.6311 42.6024 GPRESSAVG: 2986200 0.541939 38.7708 -71.7808 37.221 -46.0041 -25.8125 -66.981 -25.7509 43.5088 TIMING: 2986200 CPU: 8900.69, 0.00293718/step Wall: 8900.69, 0.00293718/step, 1.64303 hours remaining, 207.757812 MB of memory in use. ENERGY: 2986200 745.6695 2029.8475 1932.7282 112.0136 -206356.6851 18060.6325 0.0000 0.0000 34236.2057 -149239.5881 298.9933 -183475.7939 -149145.5800 298.9064 102.2276 133.7063 558236.1272 -0.3900 -0.6511 PRESSURE: 2986400 136.726 49.3458 34.8037 49.3462 -73.5951 -26.209 34.8044 -26.2089 -159.283 GPRESSURE: 2986400 163.952 -15.308 57.8905 98.7184 -49.266 -30.9993 -34.2617 96.7171 -114.907 PRESSAVG: 2986400 79.0031 -77.5994 -27.0099 -77.5994 13.4334 56.3122 -27.0099 56.3123 -34.6725 GPRESSAVG: 2986400 80.9806 -79.5688 -24.3415 -75.7135 13.5531 57.0204 -29.9472 57.1329 -36.5098 TIMING: 2986400 CPU: 8901.29, 0.00296734/step Wall: 8901.29, 0.00296734/step, 1.65973 hours remaining, 207.757812 MB of memory in use. ENERGY: 2986400 710.4082 2108.7548 1946.7942 124.7300 -206130.1394 17719.3419 0.0000 0.0000 34326.1418 -149193.9683 299.7787 -183520.1101 -149097.8109 299.1626 -32.0508 -0.0738 558074.9843 19.2547 19.3413 PRESSURE: 2986600 249.5 104.019 142.329 104.019 95.085 -27.183 142.33 -27.1815 207.476 GPRESSURE: 2986600 268.985 168.99 92.8081 42.6567 146.177 3.08554 167.462 -83.8197 234.208 PRESSAVG: 2986600 -0.00870337 0.632168 28.9665 0.632294 -14.2818 3.89816 28.9664 3.8982 1.56101 GPRESSAVG: 2986600 -0.609555 1.26537 28.3314 0.633048 -13.4603 2.97733 31.7363 5.001 1.39422 TIMING: 2986600 CPU: 8901.88, 0.00295944/step Wall: 8901.88, 0.00295944/step, 1.65515 hours remaining, 207.757812 MB of memory in use. ENERGY: 2986600 748.1233 2054.1015 1937.3447 120.5961 -206831.6173 18374.9087 0.0000 0.0000 34310.6059 -149285.9371 299.6431 -183596.5430 -149191.4314 298.7223 184.0203 216.4567 556998.9987 -4.2431 -4.2252 PRESSURE: 2986800 7.19807 108.021 67.8742 108.021 24.5898 13.7157 67.8756 13.7136 -62.2246 GPRESSURE: 2986800 16.2657 82.1479 -2.37336 42.1 85.5921 80.0241 75.569 -65.2751 -25.5229 PRESSAVG: 2986800 20.9063 59.4266 7.20803 59.4268 -70.3013 49.2847 7.2081 49.2845 -10.6846 GPRESSAVG: 2986800 21.2705 59.2943 7.46094 58.7949 -71.5286 50.5665 4.67504 48.7634 -9.79679 TIMING: 2986800 CPU: 8902.47, 0.00296565/step Wall: 8902.47, 0.00296565/step, 1.65846 hours remaining, 207.757812 MB of memory in use. ENERGY: 2986800 777.1074 2116.7865 1939.2259 106.6351 -206656.2622 18156.9053 0.0000 0.0000 34401.4819 -149158.1201 300.4367 -183559.6020 -149058.0461 298.8773 -10.1456 25.4450 557519.5933 -20.0265 -20.0183 PRESSURE: 2987000 -232.242 61.152 106.018 61.152 101.03 24.8669 106.018 24.8686 -50.3963 GPRESSURE: 2987000 -159.393 107.857 71.046 -7.2143 89.189 -58.6526 72.4479 56.2425 -12.9153 PRESSAVG: 2987000 -47.9618 22.5151 -25.9532 22.5152 69.4931 7.5265 -25.9532 7.52661 -13.7199 GPRESSAVG: 2987000 -49.3308 24.2913 -26.4487 22.4672 71.3776 8.07882 -23.7825 5.14533 -14.3702 TIMING: 2987000 CPU: 8903.06, 0.00296145/step Wall: 8903.06, 0.00296145/step, 1.65594 hours remaining, 207.757812 MB of memory in use. ENERGY: 2987000 697.3036 2107.4309 1935.3541 116.0279 -205850.6281 17632.8646 0.0000 0.0000 34216.4222 -149145.2249 298.8205 -183361.6470 -149047.4139 299.1941 -60.5361 -27.7063 558227.8182 2.6038 2.5589 PRESSURE: 2987200 -336.22 53.0223 89.2996 53.0226 -47.011 -147.334 89.299 -147.332 -41.5551 GPRESSURE: 2987200 -313.451 66.6187 79.6734 21.4135 -24.1573 -110.531 113.04 -114.311 22.6574 PRESSAVG: 2987200 -37.252 -17.5483 -14.1564 -17.5483 77.7648 -30.7353 -14.1565 -30.7354 -18.1251 GPRESSAVG: 2987200 -37.2146 -17.8524 -14.755 -17.6744 76.859 -32.692 -16.2789 -28.2068 -16.6406 TIMING: 2987200 CPU: 8903.65, 0.00292656/step Wall: 8903.65, 0.00292656/step, 1.63627 hours remaining, 207.757812 MB of memory in use. ENERGY: 2987200 737.0743 2060.3592 1945.3497 110.6511 -205616.9134 17455.9841 0.0000 0.0000 34322.9144 -148984.5806 299.7505 -183307.4950 -148878.9693 299.7911 -141.5955 -104.9835 558506.0122 7.4626 7.6679 PRESSURE: 2987400 95.4106 -169.415 -97.4491 -169.415 -215.62 -23.8648 -97.4486 -23.8646 66.8884 GPRESSURE: 2987400 113.053 -160.153 -42.1477 -110.694 -159.954 -61.1842 -108.901 -56.6194 92.3822 PRESSAVG: 2987400 -15.9639 -3.57316 8.52373 -3.57318 17.6678 -30.5169 8.52379 -30.5169 -8.97404 GPRESSAVG: 2987400 -15.5178 -3.0714 8.43858 -4.7232 17.522 -29.7549 8.27991 -31.0221 -9.40245 TIMING: 2987400 CPU: 8904.24, 0.00295639/step Wall: 8904.24, 0.00295639/step, 1.65279 hours remaining, 207.757812 MB of memory in use. ENERGY: 2987400 803.1837 2086.5942 1927.7518 110.4293 -205564.6646 17643.2093 0.0000 0.0000 34300.4429 -148693.0534 299.5543 -182993.4964 -148603.5927 300.3495 -17.7735 15.1605 556951.4817 -2.4234 -2.4661 PRESSURE: 2987600 -60.2288 -93.6584 -150.456 -93.6587 72.6413 45.081 -150.457 45.0798 -159.687 GPRESSURE: 2987600 43.9206 -62.0027 -123.506 -69.8339 92.6488 51.748 -176.656 -61.1412 -195.065 PRESSAVG: 2987600 22.4275 -8.45126 -2.96499 -8.45123 12.6779 -29.6617 -2.96496 -29.6617 -13.1141 GPRESSAVG: 2987600 22.928 -9.18401 -3.38083 -7.34301 12.628 -28.6137 -1.5721 -30.5627 -12.7385 TIMING: 2987600 CPU: 8904.84, 0.00299361/step Wall: 8904.84, 0.00299361/step, 1.67343 hours remaining, 207.757812 MB of memory in use. ENERGY: 2987600 710.2769 2095.1962 1939.9637 117.9730 -205578.5027 17538.5099 0.0000 0.0000 34431.9764 -148744.6066 300.7030 -183176.5830 -148641.9055 300.4832 -49.0915 -19.4985 558287.3175 7.3304 7.6058 PRESSURE: 2987800 63.9663 177.105 -40.1082 177.106 -74.9379 29.0636 -40.108 29.0627 -373.979 GPRESSURE: 2987800 93.8934 -4.49073 -2.29856 148.191 -38.7825 53.8695 -0.576299 -16.1256 -334.332 PRESSAVG: 2987800 97.9421 -33.0962 -60.775 -33.0962 27.4448 1.55116 -60.775 1.55116 -67.0562 GPRESSAVG: 2987800 98.7023 -34.3881 -60.9218 -34.8962 27.1037 0.0441678 -60.6976 0.741913 -66.4795 TIMING: 2987800 CPU: 8905.44, 0.00300166/step Wall: 8905.44, 0.00300166/step, 1.67776 hours remaining, 207.757812 MB of memory in use. ENERGY: 2987800 725.3922 2165.5099 1930.2336 105.9556 -205672.5342 17570.8320 0.0000 0.0000 34382.3005 -148792.3104 300.2692 -183174.6109 -148699.7968 299.7377 -128.3170 -93.0739 558645.2041 19.4436 19.7755 PRESSURE: 2988000 122.779 -36.9584 52.3497 -36.9593 -120.523 136.6 52.3494 136.599 -115.671 GPRESSURE: 2988000 106.575 -68.7894 7.92287 -99.6326 -83.5528 140.449 128.913 87.2072 -28.9494 PRESSAVG: 2988000 37.6734 16.938 27.1558 16.938 3.79418 27.1411 27.1558 27.141 -38.9697 GPRESSAVG: 2988000 36.9039 17.6962 28.6195 17.873 4.77794 27.1631 29.3014 28.4861 -39.4519 TIMING: 2988000 CPU: 8906.04, 0.00300657/step Wall: 8906.04, 0.00300657/step, 1.68034 hours remaining, 207.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2988000 706.5181 2087.4013 1962.3665 119.7634 -205798.8811 17608.4496 0.0000 0.0000 34462.1886 -148852.1936 300.9669 -183314.3822 -148748.0704 300.8880 -37.8048 -1.9756 557580.4453 0.8326 0.7433 PRESSURE: 2988200 -27.2858 -2.72941 -183.402 -2.72934 206.034 -91.201 -183.403 -91.1995 217.037 GPRESSURE: 2988200 -15.4006 -21.3235 -233.999 51.8703 245.878 -67.6929 -115.227 -105.659 268.797 PRESSAVG: 2988200 21.171 -35.6383 -18.6596 -35.6383 8.38842 -27.6814 -18.6597 -27.6813 -63.7739 GPRESSAVG: 2988200 22.1214 -35.1082 -18.4883 -34.1961 7.00053 -28.5263 -20.1459 -28.4959 -63.873 TIMING: 2988200 CPU: 8906.64, 0.00297932/step Wall: 8906.64, 0.00297932/step, 1.66494 hours remaining, 207.757812 MB of memory in use. ENERGY: 2988200 746.4265 2106.0920 1924.5492 121.6203 -205937.5273 17875.3436 0.0000 0.0000 34202.2058 -148961.2899 298.6964 -183163.4957 -148871.3288 299.7706 131.9283 166.4246 557560.3456 -11.4048 -11.5837 LDB: ============= START OF LOAD BALANCING ============== 8910.18 LDB: ============== END OF LOAD BALANCING =============== 8910.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8910.18 LDB: ============= START OF LOAD BALANCING ============== 8910.48 LDB: Largest compute 4773 load 0.027749 is 23.5% of average load 0.118179 LDB: Average compute 0.001738 is 1.5% of average load 0.118179 LDB: TIME 8910.48 LOAD: AVG 0.118179 MAX 0.201416 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 8910.48 LOAD: AVG 0.118179 MAX 0.201416 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 8910.48 LOAD: AVG 0.118179 MAX 0.201416 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8910.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8910.49 PRESSURE: 2988400 -188.79 -22.7399 66.7257 -22.7403 -145.229 -97.3524 66.7253 -97.354 -153.561 GPRESSURE: 2988400 -176.919 11.9062 39.1272 46.4163 -133.028 -166.116 50.4491 -86.8385 -65.7544 PRESSAVG: 2988400 -0.388315 -42.951 -75.513 -42.951 6.44379 -48.8584 -75.5129 -48.8584 19.2794 GPRESSAVG: 2988400 -1.60781 -45.3411 -76.927 -43.468 7.74112 -47.5556 -75.4 -47.7089 20.0292 TIMING: 2988400 CPU: 8907.24, 0.00300995/step Wall: 8907.24, 0.00300995/step, 1.68189 hours remaining, 206.734375 MB of memory in use. ENERGY: 2988400 743.4159 2073.7243 1924.5147 122.2445 -205490.6550 17408.1626 0.0000 0.0000 34244.7828 -148973.8102 299.0682 -183218.5930 -148877.9079 300.0092 -162.5263 -125.2336 559508.6232 8.4450 8.7208 PRESSURE: 2988600 36.4049 -51.2516 -40.4868 -51.2524 151.858 -189.3 -40.4869 -189.3 -157.866 GPRESSURE: 2988600 74.3121 -69.6398 -55.5458 -24.2383 186.493 -139.3 -20.7439 -156.517 -139.162 PRESSAVG: 2988600 -45.9327 8.65924 18.3015 8.65921 62.7486 35.6099 18.3014 35.61 20.3599 GPRESSAVG: 2988600 -46.731 10.0317 17.6464 8.08114 63.3348 36.0864 18.302 35.2603 20.6675 TIMING: 2988600 CPU: 8907.83, 0.00296061/step Wall: 8907.83, 0.00296061/step, 1.65416 hours remaining, 206.937500 MB of memory in use. ENERGY: 2988600 762.3200 2151.2885 1935.8806 108.5647 -206327.2526 17876.3286 0.0000 0.0000 34428.8330 -149064.0371 300.6756 -183492.8701 -148966.4625 299.9505 10.1322 40.5480 557349.5425 12.3919 12.4238 PRESSURE: 2988800 -219.339 -4.02379 95.7558 -4.02329 -120.087 -324.21 95.7565 -324.209 6.0966 GPRESSURE: 2988800 -183.39 -41.3108 162.135 141.42 -75.089 -285.227 159.362 -348.11 12.009 PRESSAVG: 2988800 -39.7416 32.3173 25.3875 32.3173 3.06651 -33.151 25.3874 -33.1512 39.0717 GPRESSAVG: 2988800 -39.3729 32.7392 26.3012 29.7844 3.10501 -33.9905 24.4422 -30.9425 38.5125 TIMING: 2988800 CPU: 8908.43, 0.00297683/step Wall: 8908.43, 0.00297683/step, 1.66305 hours remaining, 206.972656 MB of memory in use. ENERGY: 2988800 737.3053 2076.3205 1930.3726 110.8784 -205986.2458 17561.2722 0.0000 0.0000 34220.3250 -149349.7717 298.8546 -183570.0967 -149247.1366 299.1362 -111.1100 -82.1567 557240.4914 0.7989 0.7482 PRESSURE: 2989000 124.808 18.4161 155.081 18.4162 -202.373 129.351 155.079 129.352 -8.31408 GPRESSURE: 2989000 160.621 52.132 142.753 -66.9668 -163.673 153.478 130.349 79.4769 19.5694 PRESSAVG: 2989000 -12.7435 28.9956 40.5629 28.9957 6.7677 -22.5098 40.563 -22.5098 8.50706 GPRESSAVG: 2989000 -13.1725 27.7444 39.1289 30.4924 5.89467 -20.6617 41.0352 -24.6237 9.38989 TIMING: 2989000 CPU: 8909.02, 0.00296816/step Wall: 8909.02, 0.00296816/step, 1.65805 hours remaining, 206.972656 MB of memory in use. ENERGY: 2989000 782.9597 2094.5310 1940.3458 112.4569 -206162.2987 17805.0246 0.0000 0.0000 34092.2223 -149334.7584 297.7359 -183426.9807 -149236.8041 298.5131 -28.6262 5.5060 557012.0962 0.8437 0.7040 PRESSURE: 2989200 71.6689 96.6302 117.367 96.629 88.1313 73.0948 117.366 73.0947 -70.176 GPRESSURE: 2989200 102.197 18.1277 103.696 89.8267 107.54 17.9048 158.26 94.8192 -34.9348 PRESSAVG: 2989200 -4.42041 7.11906 -36.3933 7.11906 -38.5867 -4.53402 -36.3934 -4.53413 27.4321 GPRESSAVG: 2989200 -3.42096 8.88192 -33.6955 6.19907 -38.2829 -5.4409 -38.9389 -5.071 26.231 TIMING: 2989200 CPU: 8909.62, 0.00297973/step Wall: 8909.62, 0.00297973/step, 1.66435 hours remaining, 206.972656 MB of memory in use. ENERGY: 2989200 738.6757 2131.0906 1908.5066 118.0834 -206418.5506 17833.0075 0.0000 0.0000 34316.4077 -149372.7791 299.6937 -183689.1868 -149272.5397 298.8859 29.8747 58.2676 555355.4176 -5.1917 -5.1576 PRESSURE: 2989400 -324.609 -91.3853 3.43657 -91.3855 -2.279 -227.889 3.4361 -227.888 -138.901 GPRESSURE: 2989400 -235.241 -66.6695 18.5584 -40.9697 1.22128 -166.423 66.4753 -269.061 -119.973 PRESSAVG: 2989400 -0.182573 -23.9925 -9.24167 -23.9926 -49.3238 -29.9294 -9.24165 -29.9294 63.7686 GPRESSAVG: 2989400 1.66951 -25.5565 -10.8063 -22.7801 -49.7614 -29.6048 -8.54443 -29.7517 62.703 TIMING: 2989400 CPU: 8910.21, 0.00297513/step Wall: 8910.21, 0.00297513/step, 1.66161 hours remaining, 206.972656 MB of memory in use. ENERGY: 2989400 742.7615 2113.9553 1910.8876 110.4655 -205975.7627 17471.8161 0.0000 0.0000 34339.1549 -149286.7218 299.8924 -183625.8767 -149194.8168 299.1657 -155.2631 -117.9976 556938.3682 4.7541 4.8704 PRESSURE: 2989600 -1.30633 -93.8571 -96.3982 -93.8575 127.723 -99.933 -96.3977 -99.9333 127.884 GPRESSURE: 2989600 -2.80238 -51.3121 -138.996 -43.6026 163.295 -73.04 -107.817 -117.153 192.933 PRESSAVG: 2989600 -39.4361 -21.1102 16.2437 -21.1103 -0.517551 -61.4077 16.2436 -61.4078 86.1389 GPRESSAVG: 2989600 -39.6912 -20.2876 15.5753 -21.5454 -0.049739 -61.063 17.6858 -61.8201 85.4743 TIMING: 2989600 CPU: 8910.81, 0.00298717/step Wall: 8910.81, 0.00298717/step, 1.66817 hours remaining, 206.972656 MB of memory in use. ENERGY: 2989600 759.3134 2085.0367 1910.4560 114.5931 -206681.8291 18059.9377 0.0000 0.0000 34516.6597 -149235.8325 301.4426 -183752.4922 -149139.7963 299.1949 84.7669 117.8086 556234.5720 15.3951 15.2445 PRESSURE: 2989800 -347.138 -102.091 22.4384 -102.091 -135.84 -18.7684 22.4379 -18.7678 10.5429 GPRESSURE: 2989800 -306.097 -82.3312 73.0613 -129.412 -108.025 -211.316 -0.23704 66.842 39.4311 PRESSAVG: 2989800 37.7814 3.42753 8.09067 3.42758 60.4832 -69.3905 8.09079 -69.3904 -46.3494 GPRESSAVG: 2989800 36.9804 3.76343 8.10745 3.16983 60.2298 -70.436 9.40206 -69.4031 -45.2568 TIMING: 2989800 CPU: 8911.4, 0.00297627/step Wall: 8911.4, 0.00297627/step, 1.66192 hours remaining, 206.972656 MB of memory in use. ENERGY: 2989800 767.6198 2070.2722 1953.2199 113.3564 -206080.0875 17602.0663 0.0000 0.0000 34368.4055 -149205.1475 300.1478 -183573.5530 -149107.3783 299.8035 -157.4785 -124.8973 557538.6304 17.3051 17.3178 PRESSURE: 2990000 45.1637 70.9952 -90.5528 70.9933 234.937 -26.5741 -90.5512 -26.5754 80.6021 GPRESSURE: 2990000 108.058 -5.56297 -127.893 100.092 210.356 -43.9895 -26.5412 -4.9349 127.981 PRESSAVG: 2990000 -33.3058 -27.1263 18.66 -27.1263 27.7312 37.2715 18.66 37.2715 -44.664 GPRESSAVG: 2990000 -33.1722 -27.3023 20.1466 -26.619 27.5998 35.2935 17.3768 39.6835 -43.9879 TIMING: 2990000 CPU: 8912, 0.00297984/step Wall: 8912, 0.00297984/step, 1.66375 hours remaining, 206.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2990000 757.3025 2134.7476 1922.4348 120.3681 -206491.4320 18048.3377 0.0000 0.0000 34180.0974 -149328.1439 298.5033 -183508.2413 -149231.0813 299.3518 120.2344 148.7985 557196.5996 -16.7462 -16.5201 PRESSURE: 2990200 -69.4099 12.1388 35.1588 12.1392 90.0976 -10.8209 35.1592 -10.8205 -301.738 GPRESSURE: 2990200 17.9 34.2458 -51.8519 -45.7291 105.387 -10.0192 88.253 40.161 -307.232 PRESSAVG: 2990200 30.1585 19.3909 23.8874 19.391 42.9615 22.0877 23.8874 22.0877 -32.6088 GPRESSAVG: 2990200 28.4119 19.0948 22.5561 19.0995 44.5109 22.4097 25.0441 22.0714 -32.8262 TIMING: 2990200 CPU: 8912.6, 0.00297985/step Wall: 8912.6, 0.00297985/step, 1.66359 hours remaining, 206.972656 MB of memory in use. ENERGY: 2990200 749.6113 2106.0883 1941.2179 104.5583 -205968.4420 17605.7532 0.0000 0.0000 34249.1436 -149212.0694 299.1063 -183461.2130 -149115.7137 299.1803 -93.6835 -61.3151 557907.7334 13.5037 13.3655 PRESSURE: 2990400 -165.936 60.866 13.1127 60.8668 -260.118 -140.124 13.1111 -140.123 31.5621 GPRESSURE: 2990400 -165.785 84.4593 -31.6564 116.984 -224.934 -94.0642 -1.47809 -159.898 81.8615 PRESSAVG: 2990400 62.5156 -46.5887 21.0319 -46.5887 -22.6454 -7.50416 21.0319 -7.5042 -2.90763 GPRESSAVG: 2990400 62.3288 -49.2677 23.5505 -44.8691 -23.2127 -4.26551 21.3137 -9.59215 -2.50126 TIMING: 2990400 CPU: 8913.18, 0.00294135/step Wall: 8913.18, 0.00294135/step, 1.64193 hours remaining, 206.972656 MB of memory in use. ENERGY: 2990400 732.0032 2198.4136 1944.7768 97.3539 -206164.7586 17554.0232 0.0000 0.0000 34335.6134 -149302.5743 299.8615 -183638.1878 -149207.3041 298.8253 -131.4974 -102.9525 558293.0850 12.3209 12.2049 PRESSURE: 2990600 213.936 -3.2479 76.4428 -3.24842 -73.9841 48.0078 76.444 48.0089 120.289 GPRESSURE: 2990600 254.399 -1.07907 91.1149 -44.6683 -17.9284 18.906 70.735 118.078 130.826 PRESSAVG: 2990600 31.1555 46.8642 57.7047 46.8642 -58.7992 -17.6612 57.7047 -17.6611 47.0932 GPRESSAVG: 2990600 32.2119 50.7073 56.3735 44.0143 -58.8855 -18.6402 57.3199 -16.2383 46.2996 TIMING: 2990600 CPU: 8913.78, 0.00295274/step Wall: 8913.78, 0.00295274/step, 1.64812 hours remaining, 206.972656 MB of memory in use. ENERGY: 2990600 740.9647 2097.2843 1935.0722 101.1401 -206821.1522 18089.0777 0.0000 0.0000 34378.6569 -149478.9564 300.2374 -183857.6133 -149384.9284 298.8232 86.7471 122.4324 557239.8746 6.4832 6.5420 PRESSURE: 2990800 -96.6785 -122.158 5.47247 -122.159 -55.0871 -127.95 5.47258 -127.951 -4.95866 GPRESSURE: 2990800 2.78152 -172.148 3.61046 -101.355 -68.3465 -104.233 34.1552 -101.157 -0.158418 PRESSAVG: 2990800 -59.0354 42.161 40.4454 42.1609 -60.2143 9.53729 40.4454 9.53735 45.8785 GPRESSAVG: 2990800 -59.7216 38.0049 40.2675 44.4942 -60.0446 8.67421 39.5939 11.2022 45.9919 TIMING: 2990800 CPU: 8914.36, 0.0029478/step Wall: 8914.36, 0.0029478/step, 1.6452 hours remaining, 206.972656 MB of memory in use. ENERGY: 2990800 742.5412 2097.6917 1933.1011 120.2373 -206546.3184 17766.3394 0.0000 0.0000 34291.9721 -149594.4356 299.4803 -183886.4077 -149496.6964 298.2288 -52.2414 -21.9078 557936.1673 -24.4571 -24.5914 PRESSURE: 2991000 -286.141 -71.9857 -109.81 -71.9852 -333.527 -13.2054 -109.81 -13.2046 -9.51905 GPRESSURE: 2991000 -270.477 -81.9141 -184.516 -43.2375 -305.721 -51.918 -48.7191 19.5557 48.1629 PRESSAVG: 2991000 -26.9099 16.1741 -33.6359 16.174 16.8576 29.9573 -33.6358 29.9572 33.7018 GPRESSAVG: 2991000 -27.3685 17.0996 -33.6713 15.0733 17.3288 30.5301 -31.0277 29.0217 33.1525 TIMING: 2991000 CPU: 8914.95, 0.00293764/step Wall: 8914.95, 0.00293764/step, 1.63937 hours remaining, 206.972656 MB of memory in use. ENERGY: 2991000 767.6578 2127.4372 1908.0651 116.8654 -206158.8091 17546.4591 0.0000 0.0000 34212.5821 -149479.7425 298.7870 -183692.3246 -149381.8751 298.1989 -209.7290 -176.0116 558851.5065 7.8832 7.7043 PRESSURE: 2991200 -203.683 -123.904 98.5466 -123.902 128.747 -51.5111 98.5464 -51.5118 195.038 GPRESSURE: 2991200 -154.266 -134.682 100.089 -142.506 168.128 -116.578 47.6942 -36.4748 197.356 PRESSAVG: 2991200 -48.8894 -26.764 -15.2906 -26.764 50.529 2.08616 -15.2906 2.08616 -11.0635 GPRESSAVG: 2991200 -47.0455 -25.6854 -15.756 -26.9748 49.0373 2.68058 -17.0556 -0.0458727 -11.2894 TIMING: 2991200 CPU: 8915.54, 0.00295064/step Wall: 8915.54, 0.00295064/step, 1.64646 hours remaining, 206.972656 MB of memory in use. ENERGY: 2991200 763.1660 2149.5666 1949.6704 114.8864 -206768.6601 18059.8251 0.0000 0.0000 34442.3176 -149289.2280 300.7933 -183731.5456 -149192.0755 298.8016 40.0340 70.4059 557500.4835 -3.1413 -3.0992 PRESSURE: 2991400 -159.73 -61.7382 169.019 -61.7387 124.36 17.6309 169.019 17.6305 283.034 GPRESSURE: 2991400 -148.073 -107.346 245.596 -101.691 195.703 46.3069 81.0997 -11.8592 292.627 PRESSAVG: 2991400 -44.7881 -45.5266 9.27823 -45.5266 -14.0298 -5.66283 9.27827 -5.66284 6.71221 GPRESSAVG: 2991400 -45.9328 -46.0258 10.6435 -45.6603 -12.8873 -3.2487 8.81913 -8.44771 5.98914 TIMING: 2991400 CPU: 8916.14, 0.0029959/step Wall: 8916.14, 0.0029959/step, 1.67155 hours remaining, 206.972656 MB of memory in use. ENERGY: 2991400 750.8322 2117.7799 1947.6434 113.9396 -206629.3886 18099.2088 0.0000 0.0000 34450.9363 -149149.0484 300.8686 -183599.9847 -149055.3677 299.5067 82.5548 113.4192 557384.5684 -17.3685 -17.6103 PRESSURE: 2991600 -89.6258 -120.763 -5.08558 -120.762 -95.8559 66.8932 -5.08474 66.8935 -118.802 GPRESSURE: 2991600 -62.0956 -137.363 18.1889 -20.5521 -62.7292 78.8079 2.34953 48.9501 -82.364 PRESSAVG: 2991600 -49.5219 12.148 0.142072 12.148 4.2332 20.8042 0.142119 20.8044 18.9711 GPRESSAVG: 2991600 -49.5231 8.98832 -3.0852 12.6706 4.27308 19.493 1.90625 24.0295 19.12 TIMING: 2991600 CPU: 8916.73, 0.00296551/step Wall: 8916.73, 0.00296551/step, 1.65443 hours remaining, 206.972656 MB of memory in use. ENERGY: 2991600 754.9078 2133.9476 1961.0225 109.8901 -206054.5922 17662.6468 0.0000 0.0000 34190.2749 -149241.9025 298.5922 -183432.1775 -149138.7411 299.6724 -101.4279 -69.0629 557727.1249 -8.7725 -8.7100 PRESSURE: 2991800 -500.756 90.6084 110.674 90.608 -195.427 59.5625 110.674 59.563 -59.9831 GPRESSURE: 2991800 -449.309 60.6862 42.1437 100.868 -168.265 13.0403 110.949 86.2686 -51.3393 PRESSAVG: 2991800 -24.8658 -4.05377 10.9187 -4.05384 -10.0386 -55.2794 10.9186 -55.2793 6.17873 GPRESSAVG: 2991800 -24.5374 -1.22671 12.3533 -2.53752 -11.1925 -55.198 10.7495 -55.8818 6.96637 TIMING: 2991800 CPU: 8917.33, 0.00298422/step Wall: 8917.33, 0.00298422/step, 1.6647 hours remaining, 206.972656 MB of memory in use. ENERGY: 2991800 771.0119 2094.9857 1914.7855 125.6350 -206165.9913 17504.9232 0.0000 0.0000 34288.4872 -149466.1628 299.4499 -183754.6501 -149367.2350 298.8341 -252.0555 -222.9709 557693.7381 -9.5752 -9.5878 PRESSURE: 2992000 -212.288 -60.3069 161.576 -60.3078 -122.482 -93.8857 161.576 -93.8864 -308.875 GPRESSURE: 2992000 -201.575 -18.7212 132.103 -3.37384 -85.8203 -101.844 182.136 -84.8652 -252.042 PRESSAVG: 2992000 7.76686 -8.64457 19.0078 -8.64464 -4.40421 -5.4166 19.0078 -5.41652 57.4955 GPRESSAVG: 2992000 7.68546 -8.76206 20.0042 -8.75843 -4.77091 -7.40498 17.9107 -4.34233 58.0272 TIMING: 2992000 CPU: 8917.93, 0.00299551/step Wall: 8917.93, 0.00299551/step, 1.67083 hours remaining, 206.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2992000 750.0909 2125.2488 1931.8075 115.8856 -206128.5199 17577.4651 0.0000 0.0000 34232.9573 -149395.0647 298.9649 -183628.0220 -149298.4424 298.9692 -214.5482 -179.8123 557545.3122 20.2860 20.3139 PRESSURE: 2992200 -78.5302 71.8328 -32.5402 71.8322 -369.231 -37.7698 -32.5389 -37.7691 -116.079 GPRESSURE: 2992200 -36.2341 51.1122 -12.5781 63.5602 -308.949 7.29146 -22.9757 -74.8683 -125.693 PRESSAVG: 2992200 84.6909 7.89431 13.5995 7.89423 -67.2481 -10.768 13.5995 -10.7679 -10.0093 GPRESSAVG: 2992200 85.1664 8.23885 13.9968 6.10317 -66.5918 -7.53044 13.277 -11.6795 -10.9516 TIMING: 2992200 CPU: 8918.52, 0.00296208/step Wall: 8918.52, 0.00296208/step, 1.65202 hours remaining, 206.972656 MB of memory in use. ENERGY: 2992200 727.4947 2121.5304 1951.9455 117.8876 -206188.1736 17500.7190 0.0000 0.0000 34287.0719 -149481.5244 299.4375 -183768.5963 -149380.8071 299.2940 -187.9468 -156.9589 556921.9195 2.4778 2.5410 LDB: ============= START OF LOAD BALANCING ============== 8922.07 LDB: ============== END OF LOAD BALANCING =============== 8922.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8922.07 LDB: ============= START OF LOAD BALANCING ============== 8922.37 LDB: Largest compute 4773 load 0.027207 is 23.0% of average load 0.118168 LDB: Average compute 0.001740 is 1.5% of average load 0.118168 LDB: TIME 8922.37 LOAD: AVG 0.118168 MAX 0.200288 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.703 MB LDB: TIME 8922.37 LOAD: AVG 0.118168 MAX 0.200288 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.707 MB LDB: TIME 8922.37 LOAD: AVG 0.118168 MAX 0.200288 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.707 MB LDB: ============== END OF LOAD BALANCING =============== 8922.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8922.38 PRESSURE: 2992400 169.692 16.0115 -186.577 16.0114 -69.8108 -175.721 -186.577 -175.72 61.8003 GPRESSURE: 2992400 232.744 46.4446 -159.874 -26.2094 -76.5443 -129.441 -212.77 -127.403 102.399 PRESSAVG: 2992400 28.9814 39.6795 -33.8784 39.6794 -51.8448 -24.678 -33.8785 -24.6779 -0.811815 GPRESSAVG: 2992400 28.5321 39.4679 -35.7087 39.9902 -51.0882 -25.8944 -32.7735 -23.3363 -1.53054 TIMING: 2992400 CPU: 8919.13, 0.00302349/step Wall: 8919.13, 0.00302349/step, 1.6861 hours remaining, 207.437500 MB of memory in use. ENERGY: 2992400 771.0690 2076.5239 1974.6659 101.4495 -206718.0902 18101.8779 0.0000 0.0000 34335.3881 -149357.1159 299.8595 -183692.5040 -149265.9948 299.3865 53.8938 86.1996 556942.8471 -7.8917 -8.0289 PRESSURE: 2992600 141.764 -0.0382685 52.1494 -0.0381772 4.38218 161.271 52.15 161.27 183.188 GPRESSURE: 2992600 144.344 13.3098 -14.5855 -36.7794 82.9035 167.886 133.311 181.532 192.285 PRESSAVG: 2992600 -20.5172 56.8027 -23.0127 56.8027 -62.3171 24.8261 -23.0128 24.8261 85.4184 GPRESSAVG: 2992600 -19.6178 56.6718 -23.6694 56.8333 -62.858 23.9038 -22.0621 23.1359 85.4862 TIMING: 2992600 CPU: 8919.72, 0.00295919/step Wall: 8919.72, 0.00295919/step, 1.65008 hours remaining, 207.507812 MB of memory in use. ENERGY: 2992600 739.5945 2151.3377 1907.7153 111.9088 -206707.0945 18296.6353 0.0000 0.0000 34097.2905 -149402.6124 297.7801 -183499.9029 -149309.2035 299.3458 109.7780 139.8439 559422.5269 0.8613 1.0035 PRESSURE: 2992800 -220.163 58.2585 -165.952 58.2578 -41.2819 88.2898 -165.95 88.2894 10.0457 GPRESSURE: 2992800 -134.933 111.788 -113.309 -4.33963 -86.4609 79.8187 -215.846 -30.482 63.1125 PRESSAVG: 2992800 -103.772 80.6667 29.4579 80.6666 1.12301 48.1334 29.4578 48.1334 38.121 GPRESSAVG: 2992800 -104.367 78.9127 31.554 82.1679 1.16687 47.9596 28.4788 49.0641 38.7378 TIMING: 2992800 CPU: 8920.31, 0.00294149/step Wall: 8920.31, 0.00294149/step, 1.64004 hours remaining, 207.609375 MB of memory in use. ENERGY: 2992800 752.9626 2139.3085 1957.3807 118.2619 -206484.6937 17839.5629 0.0000 0.0000 34326.1528 -149351.0641 299.7788 -183677.2169 -149266.9231 298.7810 -83.7999 -52.7604 558277.9541 -21.5095 -21.4873 PRESSURE: 2993000 -275.427 -112.054 -63.6846 -112.055 -140.677 145.053 -63.684 145.052 25.8448 GPRESSURE: 2993000 -215.215 -142.365 -55.3717 -101.155 -141.4 85.5621 -14.4252 119.848 59.0187 PRESSAVG: 2993000 30.4496 -12.8427 9.94295 -12.8426 -15.2857 52.4362 9.94296 52.4361 8.7822 GPRESSAVG: 2993000 31.7451 -11.2434 10.2577 -16.3777 -14.7663 52.187 9.4758 51.1763 6.31107 TIMING: 2993000 CPU: 8920.89, 0.00293271/step Wall: 8920.89, 0.00293271/step, 1.63498 hours remaining, 207.609375 MB of memory in use. ENERGY: 2993000 730.9070 2105.1884 1954.5963 106.8713 -206314.6683 17731.3364 0.0000 0.0000 34283.2900 -149402.4789 299.4045 -183685.7689 -149301.2938 298.6432 -130.0862 -99.1987 557617.9698 7.9820 7.7633 PRESSURE: 2993200 -19.5077 -167.562 -45.2123 -167.562 -71.4157 63.435 -45.2148 63.4342 -114.648 GPRESSURE: 2993200 -14.6591 -259.269 -37.6722 -48.4058 -27.7947 63.2121 6.13937 88.5614 -67.6869 PRESSAVG: 2993200 164.03 10.5729 -20.7771 10.5729 -99.1544 39.1467 -20.7771 39.1466 -31.2932 GPRESSAVG: 2993200 163.088 11.0079 -20.0332 13.653 -99.4431 39.35 -22.8997 39.1911 -29.4511 TIMING: 2993200 CPU: 8921.49, 0.00297129/step Wall: 8921.49, 0.00297129/step, 1.65633 hours remaining, 207.609375 MB of memory in use. ENERGY: 2993200 739.6259 2061.3726 1945.6403 109.3003 -206453.4357 17836.9894 0.0000 0.0000 34324.8455 -149435.6617 299.7674 -183760.5072 -149351.9483 298.6129 -68.5238 -36.7135 556103.7632 11.1941 11.3978 PRESSURE: 2993400 55.2451 -68.1644 -164.49 -68.1636 105.03 41.2542 -164.489 41.2555 -34.5703 GPRESSURE: 2993400 63.2671 1.32698 -168.716 -27.3371 126.615 26.3078 -165.866 26.9391 17.6917 PRESSAVG: 2993400 20.2709 14.0281 -38.3942 14.0281 -19.7387 100.878 -38.3942 100.878 -12.0603 GPRESSAVG: 2993400 20.9321 15.4128 -40.6955 12.9015 -19.2617 101.066 -34.823 101.711 -13.1402 TIMING: 2993400 CPU: 8922.08, 0.00294301/step Wall: 8922.08, 0.00294301/step, 1.6404 hours remaining, 207.609375 MB of memory in use. ENERGY: 2993400 740.0413 2084.7350 1925.3160 112.6260 -206271.5587 17805.2901 0.0000 0.0000 34192.3687 -149411.1817 298.6105 -183603.5504 -149319.1915 299.4976 41.9017 69.1914 557171.3270 -3.8427 -3.8233 PRESSURE: 2993600 -350.97 -46.1251 31.3573 -46.1226 -137.921 -149.167 31.3581 -149.166 -43.8065 GPRESSURE: 2993600 -311.801 -38.1835 54.2858 -2.68518 -116 -184.243 -42.8678 -121.587 -8.25158 PRESSAVG: 2993600 -64.6857 24.3749 0.970946 24.3749 -11.0244 -18.1847 0.971081 -18.1847 55.0139 GPRESSAVG: 2993600 -65.257 22.1891 1.51968 26.0717 -10.9031 -16.989 -0.243511 -19.2803 56.1409 TIMING: 2993600 CPU: 8922.66, 0.00293203/step Wall: 8922.66, 0.00293203/step, 1.63412 hours remaining, 207.609375 MB of memory in use. ENERGY: 2993600 737.8026 2049.8442 1951.9652 118.5350 -206116.8329 17500.2463 0.0000 0.0000 34366.6231 -149391.8164 300.1323 -183758.4396 -149291.1554 298.5509 -177.5658 -145.3508 557831.5144 -6.8987 -6.6731 PRESSURE: 2993800 -99.5361 0.229096 -23.8122 0.228099 15.6998 53.4441 -23.8121 53.4452 -129.4 GPRESSURE: 2993800 2.21728 -13.8044 -50.0596 -139.716 53.7787 -1.33482 -19.4113 151.239 -179.647 PRESSAVG: 2993800 10.5363 45.2494 10.2145 45.2494 -10.5108 -37.3453 10.2144 -37.3455 -16.3673 GPRESSAVG: 2993800 11.3577 46.3952 10.2859 44.4181 -11.4098 -38.9253 10.8982 -35.2814 -16.487 TIMING: 2993800 CPU: 8923.25, 0.00294127/step Wall: 8923.25, 0.00294127/step, 1.6391 hours remaining, 207.609375 MB of memory in use. ENERGY: 2993800 775.9711 2084.8497 1925.7542 120.1415 -206310.3170 17801.0873 0.0000 0.0000 34309.4108 -149293.1023 299.6326 -183602.5131 -149200.7285 299.4167 -71.0789 -41.2170 557950.9867 -5.4473 -5.5130 PRESSURE: 2994000 278.547 -51.9191 50.0184 -51.9203 135.159 113.02 50.0182 113.02 297.304 GPRESSURE: 2994000 323.27 -58.2138 14.2578 -119.908 169.443 93.8635 91.1586 40.9326 317.992 PRESSAVG: 2994000 38.3592 4.33632 31.5478 4.33642 12.8002 9.8743 31.5478 9.87435 -24.9298 GPRESSAVG: 2994000 38.5811 3.57326 31.6123 4.03911 12.7813 10.9224 29.6039 9.44082 -24.6732 TIMING: 2994000 CPU: 8923.84, 0.00294298/step Wall: 8923.84, 0.00294298/step, 1.63989 hours remaining, 207.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2994000 726.7214 2107.7422 1933.2657 118.4126 -206648.2984 18248.0849 0.0000 0.0000 34170.7163 -149343.3553 298.4214 -183514.0716 -149246.9959 298.9607 237.0034 270.2351 557267.2343 8.7432 8.8964 PRESSURE: 2994200 106.365 -84.7435 8.82268 -84.7447 48.1266 -43.2716 8.82229 -43.2714 -341.659 GPRESSURE: 2994200 93.5254 -119.836 19.3845 -28.4127 130.523 -98.5098 -8.34058 34.5822 -305.292 PRESSAVG: 2994200 60.6483 -8.75495 1.17984 -8.75493 24.6341 -46.6373 1.1798 -46.6372 -47.1427 GPRESSAVG: 2994200 60.2033 -7.61746 1.40392 -9.117 25.8067 -46.0621 2.86223 -46.2291 -47.8741 TIMING: 2994200 CPU: 8924.43, 0.00294257/step Wall: 8924.43, 0.00294257/step, 1.6395 hours remaining, 207.609375 MB of memory in use. ENERGY: 2994200 723.9807 2135.0827 1944.0967 113.3704 -206168.9647 17762.3846 0.0000 0.0000 34118.1377 -149371.9120 297.9622 -183490.0497 -149273.3403 299.0318 -62.3891 -27.0813 555682.1426 12.7133 12.7120 PRESSURE: 2994400 10.6024 -30.2635 -142.72 -30.2646 -41.5341 2.79968 -142.72 2.79921 -232.775 GPRESSURE: 2994400 75.0894 -6.65983 -227.255 -71.598 -1.29088 51.8057 -113.303 -12.2919 -232.284 PRESSAVG: 2994400 15.1668 11.6208 -39.0611 11.6207 -29.6031 -24.626 -39.0611 -24.626 -28.6233 GPRESSAVG: 2994400 15.0405 11.1716 -40.3009 10.5456 -29.7269 -26.8407 -39.5701 -24.1644 -28.4725 TIMING: 2994400 CPU: 8925.02, 0.00294656/step Wall: 8925.02, 0.00294656/step, 1.64156 hours remaining, 207.609375 MB of memory in use. ENERGY: 2994400 739.4364 2111.5726 1940.7626 113.1524 -206598.2139 17850.5487 0.0000 0.0000 34485.7653 -149356.9759 301.1728 -183842.7413 -149253.9979 298.9245 -87.9023 -52.8284 556846.4590 -14.3532 -14.3863 PRESSURE: 2994600 36.7903 14.6404 -57.2935 14.6404 -266.588 -102.278 -57.2937 -102.278 33.9084 GPRESSURE: 2994600 106.383 36.256 -69.3358 48.4702 -219.641 -62.5908 -53.5988 -52.7478 25.0044 PRESSAVG: 2994600 -2.04387 -14.0772 -50.7461 -14.0772 -31.3386 22.1408 -50.7461 22.1408 31.6685 GPRESSAVG: 2994600 -1.68138 -13.8981 -49.9668 -12.678 -31.5696 22.8356 -49.7456 23.1714 31.6449 TIMING: 2994600 CPU: 8925.61, 0.00296565/step Wall: 8925.61, 0.00296565/step, 1.65203 hours remaining, 207.609375 MB of memory in use. ENERGY: 2994600 777.6497 2056.3715 1922.0874 113.4210 -206230.7720 17873.5525 0.0000 0.0000 34110.7628 -149376.9271 297.8978 -183487.6899 -149278.4788 299.0815 -65.2963 -29.4179 557475.3530 -0.5713 -0.5354 PRESSURE: 2994800 -337.06 33.3929 114.814 33.3924 -117.371 72.3104 114.814 72.3105 -93.9917 GPRESSURE: 2994800 -291.955 -0.980566 122.002 66.2651 -93.6869 32.6617 104.746 94.497 -65.9973 PRESSAVG: 2994800 -15.4177 -57.7439 -26.0589 -57.744 -13.191 -77.2567 -26.0588 -77.2566 25.7193 GPRESSAVG: 2994800 -15.7056 -57.9837 -27.1154 -57.0687 -12.9272 -76.7643 -25.7813 -77.2825 25.4885 TIMING: 2994800 CPU: 8926.2, 0.0029487/step Wall: 8926.2, 0.0029487/step, 1.64243 hours remaining, 207.609375 MB of memory in use. ENERGY: 2994800 726.4465 2070.8851 1939.8275 111.4156 -205622.8904 17328.5208 0.0000 0.0000 34365.6812 -149080.1137 300.1240 -183445.7949 -148980.0232 299.3408 -182.8075 -150.5465 558886.3785 -0.9631 -1.0481 PRESSURE: 2995000 -76.7479 214.955 -159.706 214.954 -7.9971 -55.2893 -159.706 -55.2883 -47.5679 GPRESSURE: 2995000 -19.6759 229.054 -101.815 209.131 78.8518 -130.994 -243.651 -42.1908 -88.4354 PRESSAVG: 2995000 -2.39417 -10.5765 29 -10.5765 -66.5785 -15.2799 29 -15.2799 65.4788 GPRESSAVG: 2995000 -1.95771 -8.08774 30.0191 -12.7009 -67.0332 -14.9062 27.42 -16.7378 65.8017 TIMING: 2995000 CPU: 8926.8, 0.00297656/step Wall: 8926.8, 0.00297656/step, 1.65778 hours remaining, 207.609375 MB of memory in use. ENERGY: 2995000 774.5865 2094.1197 1946.5270 107.0803 -205938.3504 17792.8371 0.0000 0.0000 34179.4520 -149043.7479 298.4977 -183223.1998 -148951.6253 299.5347 -44.1043 -9.7532 556940.8176 -1.1646 -1.0631 PRESSURE: 2995200 -298.656 -61.871 99.1834 -61.8712 63.1344 194.648 99.1836 194.647 202.319 GPRESSURE: 2995200 -217.7 -40.9498 122.629 -25.074 152.517 55.6434 43.1443 152.61 134.14 PRESSAVG: 2995200 15.4952 33.7219 -20.0974 33.722 -80.9451 -2.44108 -20.0973 -2.44087 81.9272 GPRESSAVG: 2995200 16.5472 30.4465 -19.567 36.2873 -81.6853 -4.0596 -19.7698 -1.91807 81.7366 TIMING: 2995200 CPU: 8927.39, 0.00296402/step Wall: 8927.39, 0.00296401/step, 1.65063 hours remaining, 207.609375 MB of memory in use. ENERGY: 2995200 714.0574 2122.6023 1924.6337 111.3270 -205948.9781 17769.1541 0.0000 0.0000 34320.8300 -148986.3735 299.7323 -183307.2036 -148884.7975 300.5681 -11.0676 22.9856 558437.1645 5.4924 5.5328 PRESSURE: 2995400 77.6144 70.4546 109.863 70.453 89.2156 -32.8099 109.863 -32.8081 -8.46346 GPRESSURE: 2995400 98.2783 18.7076 89.8226 63.6598 110.803 -35.3302 85.6145 -47.7855 49.824 PRESSAVG: 2995400 49.6759 53.69 16.7998 53.69 -34.5275 -55.8684 16.7997 -55.8684 -20.5303 GPRESSAVG: 2995400 50.401 54.5338 14.8862 52.6837 -34.5956 -55.6537 18.7696 -58.107 -21.406 TIMING: 2995400 CPU: 8927.98, 0.00295189/step Wall: 8927.98, 0.00295189/step, 1.64371 hours remaining, 207.609375 MB of memory in use. ENERGY: 2995400 753.2010 2086.8755 1931.4032 123.3985 -205940.4090 17789.8774 0.0000 0.0000 34324.3266 -148931.3268 299.7629 -183255.6533 -148834.0325 299.8805 52.7889 86.3017 556129.8125 -1.7940 -1.8669 PRESSURE: 2995600 67.346 91.6967 -29.4152 91.697 201.984 -138.81 -29.4157 -138.811 27.9065 GPRESSURE: 2995600 97.9096 111.525 -3.39498 18.046 248.99 -180.938 -48.7883 -15.9432 43.3347 PRESSAVG: 2995600 -6.86465 51.1356 -11.2081 51.1354 28.6106 29.7598 -11.208 29.7597 7.2049 GPRESSAVG: 2995600 -8.97744 50.8499 -9.55883 49.6772 30.3028 31.9623 -13.5924 29.8381 7.78482 TIMING: 2995600 CPU: 8928.57, 0.00295192/step Wall: 8928.57, 0.00295192/step, 1.64357 hours remaining, 207.609375 MB of memory in use. ENERGY: 2995600 715.1413 2069.1885 1966.3748 107.3312 -206001.1011 17746.6646 0.0000 0.0000 34536.8994 -148859.5013 301.6193 -183396.4007 -148763.4104 300.1513 99.0787 130.0780 556979.1816 9.6503 9.7034 PRESSURE: 2995800 90.8148 -33.865 -1.76133 -33.8657 -269.134 -67.7377 -1.76271 -67.7393 -119.94 GPRESSURE: 2995800 136.561 91.5714 -32.754 -50.9673 -246.945 -93.7741 5.95028 -29.7415 -82.3281 PRESSAVG: 2995800 105.475 35.4994 15.0713 35.4994 -1.24112 42.0946 15.0713 42.0947 -100.395 GPRESSAVG: 2995800 105.99 34.7819 13.3647 37.1675 -2.10215 38.7123 15.984 44.723 -100.256 TIMING: 2995800 CPU: 8929.16, 0.00296875/step Wall: 8929.16, 0.00296875/step, 1.65277 hours remaining, 207.609375 MB of memory in use. ENERGY: 2995800 732.1283 2055.2008 1947.6983 103.5044 -205788.0242 17678.1511 0.0000 0.0000 34541.6970 -148729.6444 301.6612 -183271.3414 -148633.4978 300.1217 -99.4196 -64.2374 557474.1596 1.2797 1.2106 PRESSURE: 2996000 -13.6114 65.575 93.3156 65.5751 33.0095 11.0019 93.3162 11.0013 -135.706 GPRESSURE: 2996000 82.8532 116.531 70.9844 72.4535 58.4514 -7.48699 4.04406 40.0352 -151.317 PRESSAVG: 2996000 40.5847 -1.81236 -14.4293 -1.81241 -47.3525 -4.15956 -14.4293 -4.15966 18.5722 GPRESSAVG: 2996000 40.152 0.4098 -13.4328 -3.35686 -47.5138 -2.45001 -13.3857 -6.03528 18.9128 TIMING: 2996000 CPU: 8929.75, 0.00294531/step Wall: 8929.75, 0.00294531/step, 1.63956 hours remaining, 207.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2996000 782.4858 2074.6934 1962.4263 107.1150 -205760.7071 17748.5646 0.0000 0.0000 34381.6616 -148703.7605 300.2636 -183085.4220 -148603.7039 301.0257 -38.7695 -3.3374 558323.1751 3.9348 3.8503 PRESSURE: 2996200 -58.8159 96.5404 -15.0041 96.5397 -45.5982 3.81019 -15.0042 3.80919 15.934 GPRESSURE: 2996200 -0.471559 18.4402 -41.8935 136.843 -39.5152 22.0706 -42.6335 43.5408 48.1114 PRESSAVG: 2996200 -12.1922 29.479 87.0271 29.4789 1.78021 61.001 87.0271 61.0011 11.4468 GPRESSAVG: 2996200 -11.9371 27.7056 86.4908 31.1458 1.64384 62.89 85.986 61.593 10.9516 TIMING: 2996200 CPU: 8930.34, 0.00293185/step Wall: 8930.34, 0.00293185/step, 1.6319 hours remaining, 207.609375 MB of memory in use. ENERGY: 2996200 738.7000 2041.7521 1955.2617 115.4625 -205826.4003 17639.2686 0.0000 0.0000 34636.7682 -148699.1871 302.4915 -183335.9553 -148594.3212 301.4658 -29.4934 2.7082 557263.3669 0.3449 0.2195 LDB: ============= START OF LOAD BALANCING ============== 8933.88 LDB: ============== END OF LOAD BALANCING =============== 8933.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8933.88 LDB: ============= START OF LOAD BALANCING ============== 8934.18 LDB: Largest compute 4773 load 0.027217 is 23.0% of average load 0.118301 LDB: Average compute 0.001742 is 1.5% of average load 0.118301 LDB: TIME 8934.18 LOAD: AVG 0.118301 MAX 0.202181 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.816 MB LDB: TIME 8934.18 LOAD: AVG 0.118301 MAX 0.202181 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.02 MB LDB: TIME 8934.18 LOAD: AVG 0.118301 MAX 0.202181 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.02 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8934.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8934.19 PRESSURE: 2996400 -33.2181 -53.7975 -6.66294 -53.7982 128.811 -26.4661 -6.66134 -26.465 34.9917 GPRESSURE: 2996400 33.675 -83.4994 -53.3294 -61.0779 136.37 -37.9929 -51.0792 -42.6645 64.2022 PRESSAVG: 2996400 12.196 9.34018 43.433 9.34018 10.2003 18.512 43.4331 18.512 2.81701 GPRESSAVG: 2996400 12.7088 10.4806 42.6136 7.88757 9.3354 16.3214 43.1076 18.8415 3.43512 TIMING: 2996400 CPU: 8930.94, 0.00299421/step Wall: 8930.94, 0.00299421/step, 1.66644 hours remaining, 207.835938 MB of memory in use. ENERGY: 2996400 731.9400 2117.5890 1962.7572 101.0604 -206122.9869 17883.5525 0.0000 0.0000 34589.4852 -148736.6026 302.0786 -183326.0878 -148644.3014 301.8564 43.5282 78.0823 556998.0361 8.4044 8.4931 PRESSURE: 2996600 -130.988 -47.4037 -21.4984 -47.402 -104.45 -9.56141 -21.4975 -9.5617 -177.261 GPRESSURE: 2996600 -79.7091 -46.212 -31.2071 -65.1816 -74.3932 7.25653 31.0731 -65.9395 -158.854 PRESSAVG: 2996600 -15.4811 -75.4001 52.2458 -75.4001 34.5252 5.01078 52.2458 5.01069 -11.6095 GPRESSAVG: 2996600 -14.9931 -74.6191 52.7582 -76.5852 34.9281 4.89168 53.1778 4.40688 -12.7069 TIMING: 2996600 CPU: 8931.53, 0.00295726/step Wall: 8931.53, 0.00295726/step, 1.64571 hours remaining, 207.906250 MB of memory in use. ENERGY: 2996600 745.3493 2095.3780 1938.3537 108.1719 -205757.0017 17699.6802 0.0000 0.0000 34390.5604 -148779.5083 300.3413 -183170.0687 -148683.9543 301.1672 -137.5662 -104.3188 558252.2194 2.4782 2.4094 PRESSURE: 2996800 -155.329 -243.481 31.2508 -243.48 -162.309 -36.7127 31.2517 -36.7119 -87.3324 GPRESSURE: 2996800 -124.661 -316.832 58.7483 -241.405 -87.7112 -93.6192 -40.7971 78.7951 -99.6723 PRESSAVG: 2996800 5.98465 -14.1984 13.685 -14.1984 44.7938 -27.7903 13.685 -27.7904 -49.2402 GPRESSAVG: 2996800 5.41882 -14.1227 15.2812 -12.6973 44.651 -27.2949 13.4133 -27.5143 -47.8564 TIMING: 2996800 CPU: 8932.12, 0.00295524/step Wall: 8932.12, 0.00295524/step, 1.64443 hours remaining, 207.906250 MB of memory in use. ENERGY: 2996800 741.9443 2117.6868 1930.6980 92.2255 -205678.6969 17566.8121 0.0000 0.0000 34451.9006 -148777.4296 300.8770 -183229.3302 -148681.0750 301.1172 -134.9902 -104.0148 559073.5033 0.5127 0.7378 PRESSURE: 2997000 49.0303 -108.225 -191.763 -108.226 92.3542 43.6044 -191.762 43.6046 85.3175 GPRESSURE: 2997000 71.8644 -175.637 -251.391 -57.5209 164.535 52.4274 -201.182 78.6654 95.3736 PRESSAVG: 2997000 -7.82836 3.24528 -51.5321 3.2453 20.8021 -38.3943 -51.5322 -38.3943 -51.545 GPRESSAVG: 2997000 -8.63279 3.46375 -54.041 0.9685 21.2984 -36.5937 -51.6633 -37.9237 -51.2176 TIMING: 2997000 CPU: 8932.71, 0.00296335/step Wall: 8932.71, 0.00296335/step, 1.64878 hours remaining, 207.906250 MB of memory in use. ENERGY: 2997000 744.5875 2122.9525 1963.6275 108.6835 -206112.0652 17835.8407 0.0000 0.0000 34577.8685 -148758.5050 301.9771 -183336.3735 -148656.7153 300.4661 75.5674 110.5911 556937.0365 -12.8571 -12.8507 PRESSURE: 2997200 -108.739 30.7456 164.654 30.747 160.91 115.052 164.653 115.052 182.664 GPRESSURE: 2997200 -9.23034 22.5208 201.232 -59.0596 153.617 97.0348 60.9866 211.219 200.873 PRESSAVG: 2997200 -7.44445 -21.0839 -40.4317 -21.084 -6.44815 61.4548 -40.4317 61.4548 23.5547 GPRESSAVG: 2997200 -7.07986 -20.6594 -38.7419 -21.6778 -6.34862 61.4102 -41.1922 62.728 23.276 TIMING: 2997200 CPU: 8933.3, 0.00293906/step Wall: 8933.3, 0.00293906/step, 1.6351 hours remaining, 207.906250 MB of memory in use. ENERGY: 2997200 752.5409 2097.0778 1980.9884 113.9215 -206179.1295 17883.9937 0.0000 0.0000 34409.7407 -148940.8666 300.5088 -183350.6073 -148849.1663 300.7795 78.2782 115.0865 558019.7397 3.2207 3.2825 PRESSURE: 2997400 -62.2544 -223.048 0.778085 -223.048 -160.899 24.6608 0.779035 24.6612 -175.526 GPRESSURE: 2997400 -22.1296 -230.193 46.9918 -334.093 -149.568 -88.9394 -19.3256 97.0809 -138.496 PRESSAVG: 2997400 -119.017 -40.8159 5.57782 -40.8159 125.615 0.701701 5.57791 0.701723 -34.165 GPRESSAVG: 2997400 -117.387 -40.4387 5.00997 -39.8516 124.596 -0.557576 5.52604 -0.261644 -35.1583 TIMING: 2997400 CPU: 8933.88, 0.00291556/step Wall: 8933.88, 0.00291556/step, 1.62186 hours remaining, 207.906250 MB of memory in use. ENERGY: 2997400 766.0898 2127.3141 1956.0846 109.9401 -205704.4167 17584.2889 0.0000 0.0000 34338.9284 -148821.7706 299.8904 -183160.6991 -148725.3019 300.4734 -132.8931 -103.3977 557739.1031 -9.1890 -9.3164 PRESSURE: 2997600 -264.785 -6.02736 -46.7536 -6.02642 -202.761 8.83031 -46.7546 8.82952 -70.0886 GPRESSURE: 2997600 -245.249 -21.2466 -35.8055 -15.394 -151.757 -16.7825 -108.977 49.7615 -61.6106 PRESSAVG: 2997600 -99.4112 -33.0796 14.5216 -33.0795 60.388 25.4474 14.5215 25.4473 -3.88269 GPRESSAVG: 2997600 -100.708 -33.9599 15.8679 -33.917 60.4828 23.9812 14.5463 24.7365 -2.64328 TIMING: 2997600 CPU: 8934.47, 0.00291852/step Wall: 8934.47, 0.00291852/step, 1.62335 hours remaining, 207.906250 MB of memory in use. ENERGY: 2997600 757.5849 2059.0588 1966.2803 112.9284 -205595.4418 17499.6321 0.0000 0.0000 34407.4468 -148792.5104 300.4888 -183199.9572 -148690.6528 300.3521 -179.2117 -152.8722 557360.7786 -14.3020 -14.2895 PRESSURE: 2997800 72.2659 38.329 89.4945 38.3282 -141.97 -13.1405 89.4958 -13.1408 -220.513 GPRESSURE: 2997800 117.879 66.3509 78.1243 91.828 -135.691 38.3234 113.513 -44.05 -181.248 PRESSAVG: 2997800 56.6404 15.08 5.94925 15.08 72.7498 -44.0774 5.94925 -44.0774 -76.2559 GPRESSAVG: 2997800 57.6162 16.7719 5.16569 15.377 73.2363 -41.5501 8.49126 -43.1925 -78.1234 TIMING: 2997800 CPU: 8935.05, 0.002932/step Wall: 8935.05, 0.002932/step, 1.63068 hours remaining, 207.906250 MB of memory in use. ENERGY: 2997800 759.9002 2086.0902 1949.0054 113.9307 -205703.5397 17554.2174 0.0000 0.0000 34375.1206 -148865.2753 300.2065 -183240.3959 -148770.0990 300.7303 -96.7391 -66.3533 556956.7159 17.7114 17.5764 PRESSURE: 2998000 154.723 -22.5101 -35.3115 -22.5101 278.87 17.1953 -35.3128 17.1973 130.163 GPRESSURE: 2998000 218.598 60.0912 -7.08569 16.1921 259.841 -69.1607 -52.4987 86.8625 188.1 PRESSAVG: 2998000 17.1096 -11.6731 -25.9342 -11.6732 -1.83112 2.41685 -25.9343 2.41696 3.85966 GPRESSAVG: 2998000 16.8667 -12.4442 -26.6826 -11.9463 -2.00004 0.910008 -27.6694 2.83524 4.23971 TIMING: 2998000 CPU: 8935.64, 0.00291857/step Wall: 8935.64, 0.00291857/step, 1.62305 hours remaining, 207.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2998000 742.2196 2120.8038 1939.9494 108.7043 -205939.7434 17953.0118 0.0000 0.0000 34491.2443 -148583.8102 301.2206 -183075.0545 -148483.6624 300.7159 187.9189 222.1795 556748.4521 6.3794 6.3688 PRESSURE: 2998200 25.8187 129.276 -73.6417 129.276 -242.508 -147.117 -73.643 -147.118 121.918 GPRESSURE: 2998200 57.751 189.082 -48.5639 18.6917 -208.131 -147.734 41.2389 -118.74 148.287 PRESSAVG: 2998200 -12.8767 17.8327 -7.95699 17.8328 -22.1806 14.9915 -7.957 14.9917 30.4071 GPRESSAVG: 2998200 -11.948 15.8939 -7.46562 20.4999 -21.9803 15.5998 -8.44089 11.8669 29.1595 TIMING: 2998200 CPU: 8936.22, 0.00292738/step Wall: 8936.22, 0.00292738/step, 1.62778 hours remaining, 207.906250 MB of memory in use. ENERGY: 2998200 770.7550 2150.8241 1952.9383 109.1953 -205918.4839 17810.8054 0.0000 0.0000 34423.5677 -148700.3981 300.6296 -183123.9658 -148599.8852 301.0382 -31.5905 -0.6976 559101.8162 -1.5500 -1.5896 PRESSURE: 2998400 -169.826 -40.8259 71.654 -40.8278 -172.422 92.4365 71.6561 92.4375 43.1932 GPRESSURE: 2998400 -97.0849 -152.041 62.4666 -16.316 -148.061 60.5414 182.62 75.6305 50.2103 PRESSAVG: 2998400 1.642 -24.2423 -46.9755 -24.2423 -39.392 -29.5056 -46.9756 -29.5057 16.9633 GPRESSAVG: 2998400 1.60947 -22.3927 -45.9478 -26.2932 -40.486 -30.0902 -44.4759 -27.1439 17.7339 TIMING: 2998400 CPU: 8936.81, 0.00294883/step Wall: 8936.81, 0.00294883/step, 1.63955 hours remaining, 207.906250 MB of memory in use. ENERGY: 2998400 758.9969 2104.9961 1976.8252 120.4086 -205804.9531 17626.2429 0.0000 0.0000 34355.0217 -148862.4617 300.0309 -183217.4834 -148766.5799 300.7029 -99.6849 -64.9785 558201.5312 -6.9289 -7.0475 PRESSURE: 2998600 -205.306 -27.687 5.75904 -27.6866 -29.8426 24.2703 5.75956 24.2694 -56.9181 GPRESSURE: 2998600 -117.014 -64.0218 62.112 -2.75698 -8.95431 28.04 -69.4534 54.8913 -65.7919 PRESSAVG: 2998600 -8.15487 40.0828 9.41866 40.0827 -2.51793 28.985 9.41869 28.9849 -12.5411 GPRESSAVG: 2998600 -9.23367 39.4574 8.42454 40.6205 -1.80101 29.6505 6.92299 29.1682 -12.3656 TIMING: 2998600 CPU: 8937.41, 0.00296948/step Wall: 8937.41, 0.00296948/step, 1.65087 hours remaining, 207.906250 MB of memory in use. ENERGY: 2998600 767.1257 2087.3177 1953.5264 99.3220 -206045.3954 17650.7667 0.0000 0.0000 34417.9197 -149069.4172 300.5803 -183487.3369 -148967.2997 300.3368 -97.3555 -63.9201 558684.1576 -7.7380 -7.8001 PRESSURE: 2998800 239.805 55.3902 166.149 55.3913 337.597 78.3209 166.147 78.3206 35.337 GPRESSURE: 2998800 252.6 11.4612 234.554 162.458 334.906 -8.62317 123.083 76.4469 114.902 PRESSAVG: 2998800 7.62186 -35.2203 22.3162 -35.2202 -4.30993 -32.7746 22.3161 -32.7745 -20.7709 GPRESSAVG: 2998800 7.91542 -37.6031 21.6926 -33.1212 -3.52513 -33.1315 23.9212 -31.9964 -21.4856 TIMING: 2998800 CPU: 8938, 0.00297065/step Wall: 8938, 0.00297065/step, 1.65135 hours remaining, 207.906250 MB of memory in use. ENERGY: 2998800 731.0088 2107.7770 1973.4455 115.8168 -206478.7370 18119.7103 0.0000 0.0000 34442.7370 -148988.2417 300.7970 -183430.9788 -148890.9863 299.9228 204.2464 234.1360 558897.9230 -5.8197 -5.6984 PRESSURE: 2999000 -61.384 104.293 50.2428 104.294 130.559 -118.287 50.2425 -118.287 142.781 GPRESSURE: 2999000 -50.161 77.4626 66.1838 116.428 161.732 -146.462 64.077 -95.3712 199.695 PRESSAVG: 2999000 -7.44087 18.2248 -9.48173 18.2248 10.9481 5.37055 -9.48168 5.37068 9.69102 GPRESSAVG: 2999000 -7.21398 20.9965 -8.22239 15.1009 10.6352 4.79002 -11.5392 5.05835 10.2482 TIMING: 2999000 CPU: 8938.6, 0.002973/step Wall: 8938.6, 0.002973/step, 1.65249 hours remaining, 207.906250 MB of memory in use. ENERGY: 2999000 730.5299 2109.4601 1928.2975 116.1125 -206306.4759 17981.9523 0.0000 0.0000 34315.8931 -149124.2304 299.6892 -183440.1235 -149027.5055 299.6357 70.6520 103.7554 557823.3591 4.3994 4.5565 PRESSURE: 2999200 -31.0668 178.012 0.230559 178.011 -267.331 85.7111 0.23073 85.7114 -115.91 GPRESSURE: 2999200 5.44363 281.881 -40.5974 115.67 -266.304 40.7558 -33.077 31.9028 -62.3766 PRESSAVG: 2999200 44.5643 32.8859 2.83734 32.886 5.9918 16.6836 2.83739 16.6837 -48.6968 GPRESSAVG: 2999200 44.9509 32.7418 3.35756 32.9244 5.18931 18.4949 2.78608 13.8787 -48.7737 TIMING: 2999200 CPU: 8939.19, 0.00297098/step Wall: 8939.19, 0.00297098/step, 1.65121 hours remaining, 207.906250 MB of memory in use. ENERGY: 2999200 736.0629 2149.9208 1944.4222 110.7082 -205597.2387 17525.4115 0.0000 0.0000 34105.5683 -149025.1447 297.8524 -183130.7130 -148938.6732 300.2451 -138.1026 -107.7458 558717.4477 0.6198 0.4555 PRESSURE: 2999400 -150.273 -53.7648 143.789 -53.7647 -16.6159 139.798 143.789 139.798 144.378 GPRESSURE: 2999400 -65.9196 -38.4876 59.4238 -129.025 -9.54391 89.1948 259.38 193.128 145.314 PRESSAVG: 2999400 -0.32629 7.55176 13.3149 7.55172 23.28 84.9032 13.3149 84.9033 -11.102 GPRESSAVG: 2999400 -0.386418 6.69943 14.8372 8.49641 23.049 82.8701 14.9366 87.4466 -10.7873 TIMING: 2999400 CPU: 8939.78, 0.00292912/step Wall: 8939.78, 0.00292912/step, 1.62778 hours remaining, 207.906250 MB of memory in use. ENERGY: 2999400 757.5975 2100.1916 1936.4409 102.5132 -206006.3313 17891.1727 0.0000 0.0000 34219.9495 -148998.4659 298.8513 -183218.4154 -148894.3617 299.5224 -7.5036 23.2835 558376.7714 3.9505 3.9584 PRESSURE: 2999600 -176.811 189.1 -49.5504 189.101 -160.929 18.7009 -49.5516 18.7001 -71.9447 GPRESSURE: 2999600 -152.741 157.493 -1.14657 202.025 -149.581 15.8501 -76.8246 0.899473 -6.97004 PRESSAVG: 2999600 99.1851 -23.8489 24.8575 -23.8489 -152.636 -0.784593 24.8574 -0.784553 45.5561 GPRESSAVG: 2999600 98.1099 -23.5822 23.5778 -24.5106 -151.531 0.972389 23.5589 -3.56536 45.8898 TIMING: 2999600 CPU: 8940.36, 0.00293939/step Wall: 8940.36, 0.00293939/step, 1.63332 hours remaining, 207.906250 MB of memory in use. ENERGY: 2999600 746.0448 2111.6321 1927.6032 104.8407 -205504.2464 17440.5418 0.0000 0.0000 34210.3478 -148963.2360 298.7675 -183173.5839 -148863.8566 299.9025 -136.5617 -103.0973 557901.3212 -2.6317 -2.5104 PRESSURE: 2999800 -89.4794 -75.38 118.133 -75.3792 -86.6324 -80.4775 118.131 -80.4785 -30.7581 GPRESSURE: 2999800 -14.9008 -7.25547 78.9098 -128.796 -50.4389 -14.2088 168.174 -95.5832 -64.8335 PRESSAVG: 2999800 -8.12386 4.94851 -25.2225 4.94845 -8.47669 6.91073 -25.2226 6.91059 23.5149 GPRESSAVG: 2999800 -8.49778 5.65001 -24.2973 5.63219 -9.32329 6.64579 -25.9077 10.0608 24.4464 TIMING: 2999800 CPU: 8940.95, 0.00295511/step Wall: 8940.95, 0.00295511/step, 1.64189 hours remaining, 207.906250 MB of memory in use. ENERGY: 2999800 752.9003 2107.1221 1947.4657 108.7621 -205837.9783 17726.4100 0.0000 0.0000 34203.9217 -148991.3965 298.7114 -183195.3182 -148894.7545 299.8707 -68.9566 -43.3911 557409.6063 2.3048 2.2085 PRESSURE: 3000000 -237.638 150.881 92.3376 150.88 -367.436 203.741 92.338 203.742 -162.038 GPRESSURE: 3000000 -182.626 50.8382 52.927 153.572 -336.656 97.7693 61.2339 190.427 -143.812 PRESSAVG: 3000000 0.290939 55.9229 8.0042 55.9229 19.5008 -28.1084 8.0042 -28.1084 -32.1094 GPRESSAVG: 3000000 1.76849 53.3851 6.82627 57.3653 19.6494 -28.1592 8.24841 -29.5916 -33.4706 TIMING: 3000000 CPU: 8941.55, 0.00296071/step Wall: 8941.55, 0.00296071/step, 1.64484 hours remaining, 207.906250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3000000 787.4038 2087.5814 1962.5347 103.4668 -205813.8450 17575.7990 0.0000 0.0000 34234.2807 -149062.7786 298.9765 -183297.0592 -148967.0507 299.7975 -255.7043 -221.0311 558325.3488 -4.1059 -4.0176 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3000000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 3000000 WRITING COORDINATES TO RESTART FILE AT STEP 3000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3000200 -6.67771 142.342 -9.01968 142.342 -23.7729 -50.2235 -9.01938 -50.2229 -248.519 GPRESSURE: 3000200 27.8055 78.5184 -76.4617 81.4965 27.9214 -16.4484 45.3027 6.57222 -230.786 PRESSAVG: 3000200 8.51125 27.6257 35.19 27.6258 5.37916 -9.51005 35.19 -9.50996 15.3673 GPRESSAVG: 3000200 9.01985 28.8199 35.1685 24.9549 5.40424 -11.2886 36.6401 -7.45852 15.4793 TIMING: 3000200 CPU: 8942.16, 0.00304782/step Wall: 8942.16, 0.00304782/step, 1.69306 hours remaining, 207.906250 MB of memory in use. ENERGY: 3000200 776.0827 2148.9561 1935.0145 121.8323 -206066.8315 17715.1030 0.0000 0.0000 34253.7751 -149116.0677 299.1467 -183369.8428 -149015.9241 299.4884 -92.9899 -58.3529 557989.2166 9.7526 9.9678 LDB: ============= START OF LOAD BALANCING ============== 8945.7 LDB: ============== END OF LOAD BALANCING =============== 8945.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8945.7 LDB: ============= START OF LOAD BALANCING ============== 8946 LDB: Largest compute 4773 load 0.027248 is 23.0% of average load 0.118285 LDB: Average compute 0.001737 is 1.5% of average load 0.118285 LDB: TIME 8946 LOAD: AVG 0.118285 MAX 0.198425 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.914 MB LDB: TIME 8946 LOAD: AVG 0.118285 MAX 0.198425 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.918 MB LDB: TIME 8946 LOAD: AVG 0.118285 MAX 0.198425 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.918 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8946 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8946.01 PRESSURE: 3000400 -50.3844 219.357 -51.0084 219.358 -60.5234 -262.233 -51.0089 -262.232 51.1028 GPRESSURE: 3000400 4.73318 161.182 34.9759 201.581 -17.3857 -279.571 -18.5732 -262.341 54.4676 PRESSAVG: 3000400 -14.6454 12.7195 -0.0888468 12.7195 11.0673 -60.2265 -0.0889014 -60.2264 19.0538 GPRESSAVG: 3000400 -14.5331 14.8397 -0.267146 12.0636 11.7436 -59.0239 -1.04186 -62.1652 19.1435 TIMING: 3000400 CPU: 8942.76, 0.00300648/step Wall: 8942.76, 0.00300648/step, 1.66993 hours remaining, 206.683594 MB of memory in use. ENERGY: 3000400 798.4001 2098.4232 1955.0602 111.4226 -206345.9120 17870.2904 0.0000 0.0000 34280.0764 -149232.2390 299.3764 -183512.3154 -149138.0477 299.2081 -19.9350 13.9384 557566.8389 5.1586 5.4513 PRESSURE: 3000600 -212.33 -46.4852 -119.464 -46.4851 -54.126 -73.006 -119.463 -73.0057 -196.039 GPRESSURE: 3000600 -126.823 -59.9747 2.28252 -95.6584 -88.839 -122.144 -184.682 -92.9488 -151.46 PRESSAVG: 3000600 36.4911 -36.4357 9.54047 -36.4358 -37.6774 -14.9998 9.54053 -14.9999 -33.0862 GPRESSAVG: 3000600 36.4701 -36.2184 9.40089 -36.8155 -38.8 -15.2423 10.0146 -13.5841 -32.2231 TIMING: 3000600 CPU: 8943.35, 0.0029526/step Wall: 8943.35, 0.0029526/step, 1.63984 hours remaining, 206.683594 MB of memory in use. ENERGY: 3000600 737.4598 2078.9839 1928.1519 109.0041 -205917.0872 17591.5474 0.0000 0.0000 34059.9211 -149412.0192 297.4538 -183471.9402 -149315.4079 298.7726 -154.1651 -122.3740 557734.7249 -11.4242 -11.5177 PRESSURE: 3000800 -300.905 123.306 -45.0666 123.306 -195.757 83.1431 -45.0679 83.1448 -140.983 GPRESSURE: 3000800 -246.716 48.9185 -0.658136 140.35 -102.59 84.2809 2.85178 100.464 -196.126 PRESSAVG: 3000800 38.1031 6.75896 -21.2231 6.75891 -21.3181 28.4041 -21.2232 28.4043 15.8811 GPRESSAVG: 3000800 38.742 3.67582 -20.4843 9.41374 -20.4691 27.5704 -18.0503 28.8181 14.5948 TIMING: 3000800 CPU: 8943.94, 0.00295331/step Wall: 8943.94, 0.00295331/step, 1.64007 hours remaining, 206.683594 MB of memory in use. ENERGY: 3000800 763.5217 2111.9659 1968.9850 110.0755 -205880.7067 17535.0322 0.0000 0.0000 34173.5445 -149217.5819 298.4461 -183391.1264 -149112.3113 298.8678 -212.5482 -181.8104 557648.5549 10.8887 10.9559 PRESSURE: 3001000 195.54 -145.119 100.199 -145.119 -120.971 60.8486 100.199 60.849 -287.588 GPRESSURE: 3001000 254.48 -119.85 55.7219 -162.04 -61.6596 36.5362 155.525 23.381 -307.073 PRESSAVG: 3001000 44.7537 -7.32816 15.29 -7.32824 -38.4519 19.83 15.29 19.8301 -24.2749 GPRESSAVG: 3001000 44.1011 -6.20715 14.1476 -7.34093 -37.5947 20.7026 13.1892 19.2254 -24.14 TIMING: 3001000 CPU: 8944.53, 0.00293177/step Wall: 8944.53, 0.00293177/step, 1.62795 hours remaining, 206.683594 MB of memory in use. ENERGY: 3001000 750.8803 2066.7946 1964.9501 112.0188 -206263.4482 17835.5806 0.0000 0.0000 34226.9456 -149306.2782 298.9124 -183533.2238 -149209.3021 298.8925 -71.0065 -38.0844 558540.6394 -5.9911 -5.8779 PRESSURE: 3001200 -262.666 -91.3295 26.896 -91.3303 -174.521 -4.90876 26.8975 -4.90689 -301.706 GPRESSURE: 3001200 -279.715 -46.5156 -43.636 -102.389 -87.2876 14.4385 60.3902 -41.1712 -256.768 PRESSAVG: 3001200 -36.8077 -7.79518 -21.3395 -7.79516 27.9475 30.0699 -21.3393 30.07 6.6835 GPRESSAVG: 3001200 -36.3102 -7.13994 -20.6877 -8.43592 27.5873 31.9607 -21.4332 28.073 6.64596 TIMING: 3001200 CPU: 8945.11, 0.00292421/step Wall: 8945.11, 0.00292421/step, 1.62359 hours remaining, 206.683594 MB of memory in use. ENERGY: 3001200 801.3633 2071.5986 1951.5011 114.9857 -205879.9429 17543.3181 0.0000 0.0000 34141.1873 -149255.9888 298.1635 -183397.1761 -149154.3899 299.4381 -246.2978 -207.9235 557929.6152 -0.7256 -0.6923 PRESSURE: 3001400 -41.3838 -79.2238 -241.588 -79.2253 78.4678 137.523 -241.588 137.525 -76.7803 GPRESSURE: 3001400 25.0973 -102.086 -238.262 -76.4561 87.1266 110.203 -258.753 171.148 -51.2629 PRESSAVG: 3001400 7.13581 23.0569 -31.7631 23.057 0.934267 -46.8773 -31.7631 -46.8774 6.56239 GPRESSAVG: 3001400 8.06522 23.5688 -30.5545 23.286 -0.462297 -48.1144 -31.032 -44.5459 7.20086 TIMING: 3001400 CPU: 8945.7, 0.00293594/step Wall: 8945.7, 0.00293594/step, 1.62994 hours remaining, 206.683594 MB of memory in use. ENERGY: 3001400 767.0905 2108.4890 1946.1871 111.4517 -206321.6600 17834.6612 0.0000 0.0000 34301.1565 -149252.6240 299.5605 -183553.7806 -149162.2079 299.4694 -13.2321 20.3203 557204.0839 4.8775 4.9346 PRESSURE: 3001600 12.5149 57.9038 -75.4116 57.9047 -28.5601 -40.8088 -75.412 -40.8079 -20.8215 GPRESSURE: 3001600 48.3251 -4.5896 -31.6065 -0.033183 -29.7492 -45.4128 -89.8429 -22.9904 27.8017 PRESSAVG: 3001600 19.8725 2.76622 -57.3349 2.76631 -23.7021 -60.3548 -57.3349 -60.3548 -4.36115 GPRESSAVG: 3001600 18.2675 2.12917 -58.8071 0.791258 -23.3786 -60.0789 -57.8895 -59.8919 -3.60608 TIMING: 3001600 CPU: 8946.29, 0.00295103/step Wall: 8946.29, 0.00295103/step, 1.63815 hours remaining, 206.683594 MB of memory in use. ENERGY: 3001600 755.7556 2072.8897 1942.4597 119.8682 -206284.0912 17679.3294 0.0000 0.0000 34682.4046 -149031.3840 302.8901 -183713.7886 -148923.8504 299.7867 -12.2889 15.4592 557540.1770 -2.7302 -2.9057 PRESSURE: 3001800 -80.711 -39.165 -214.531 -39.1659 -78.9611 12.8443 -214.532 12.8426 -131.767 GPRESSURE: 3001800 -45.1397 -174.023 -267.717 -25.3047 -62.7158 -28.984 -159.84 -94.7395 -98.5528 PRESSAVG: 3001800 -2.93526 43.4037 -35.4689 43.4036 -67.9963 -51.7076 -35.469 -51.7077 7.76385 GPRESSAVG: 3001800 -1.99308 42.0848 -35.6925 45.363 -67.909 -53.659 -33.5274 -53.3731 6.37634 TIMING: 3001800 CPU: 8946.88, 0.00295753/step Wall: 8946.88, 0.00295753/step, 1.64159 hours remaining, 206.765625 MB of memory in use. ENERGY: 3001800 773.8503 2164.8351 1955.8027 124.5911 -206610.3484 17990.2359 0.0000 0.0000 34466.6714 -149134.3618 301.0060 -183601.0332 -149040.3560 299.3819 -97.1462 -68.8028 558802.6860 -21.0559 -21.1753 PRESSURE: 3002000 116.702 -62.9241 153.222 -62.925 -106.318 -149.374 153.223 -149.374 201.395 GPRESSURE: 3002000 154.883 -133.116 140.798 -53.2922 -46.1899 -86.7086 185.837 -122.456 192.322 PRESSAVG: 3002000 -11.8256 -20.5673 -0.238822 -20.5673 -4.69791 -53.0238 -0.238701 -53.0238 8.87772 GPRESSAVG: 3002000 -11.3253 -17.4932 -0.699148 -21.1211 -4.98796 -51.0268 -0.99949 -53.7717 7.93598 TIMING: 3002000 CPU: 8947.47, 0.00295403/step Wall: 8947.47, 0.00295403/step, 1.63949 hours remaining, 206.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3002000 731.8420 2120.8917 1955.8879 112.9453 -206553.5979 17949.3313 0.0000 0.0000 34191.8989 -149490.8009 298.6064 -183682.6998 -149395.0562 299.3330 70.5930 100.3385 556320.6670 -2.5486 -2.7924 PRESSURE: 3002200 162.472 32.9265 -66.4574 32.9265 210.345 93.4455 -66.4597 93.4426 -161.957 GPRESSURE: 3002200 124.091 22.5356 -6.94581 69.0371 263.077 89.0204 -85.5042 72.8524 -88.8154 PRESSAVG: 3002200 -25.6592 24.4011 18.3592 24.4012 2.70943 -47.6754 18.3592 -47.6756 38.4216 GPRESSAVG: 3002200 -27.1244 23.3676 20.9035 24.9774 2.74392 -48.1616 16.7681 -47.2072 39.7581 TIMING: 3002200 CPU: 8948.06, 0.00294076/step Wall: 8948.06, 0.00294076/step, 1.63196 hours remaining, 206.765625 MB of memory in use. ENERGY: 3002200 738.5403 2134.8156 1962.8546 120.0958 -206114.0253 17647.6517 0.0000 0.0000 34025.2480 -149484.8192 297.1510 -183510.0673 -149391.9134 298.8763 70.2867 99.4507 556744.0011 5.1573 5.1259 PRESSURE: 3002400 -100.841 97.0524 -89.4214 97.0521 -60.5408 16.8742 -89.4205 16.8741 113.39 GPRESSURE: 3002400 -64.7431 133.95 -18.3905 34.8074 12.5785 21.516 -124.785 -46.1574 110.832 PRESSAVG: 3002400 -62.3523 3.58826 10.92 3.58827 -3.42216 -49.2933 10.92 -49.2933 81.3601 GPRESSAVG: 3002400 -61.9007 2.70151 10.5377 3.60791 -3.67641 -47.8682 10.336 -50.5505 81.1953 TIMING: 3002400 CPU: 8948.64, 0.00293354/step Wall: 8948.64, 0.00293354/step, 1.62779 hours remaining, 206.765625 MB of memory in use. ENERGY: 3002400 744.4873 2125.0196 1982.9986 120.3668 -206276.5839 17744.0676 0.0000 0.0000 34146.4771 -149413.1669 298.2097 -183559.6440 -149315.4993 298.9688 -15.9974 19.5557 556533.7940 5.1952 5.2061 PRESSURE: 3002600 -230.568 -64.8717 -40.9401 -64.8718 84.317 -3.68319 -40.9407 -3.68334 128.48 GPRESSURE: 3002600 -139.14 -108.246 24.9459 -92.6489 45.9598 -91.1284 -0.831596 18.0421 180.417 PRESSAVG: 3002600 10.1542 -42.9319 11.9686 -42.9321 -23.5275 -48.6883 11.9685 -48.6882 6.12253 GPRESSAVG: 3002600 9.88195 -42.7008 11.9905 -44.4711 -23.4864 -50.5985 14.1058 -47.473 6.01116 TIMING: 3002600 CPU: 8949.23, 0.00293031/step Wall: 8949.23, 0.00293031/step, 1.62584 hours remaining, 206.765625 MB of memory in use. ENERGY: 3002600 781.1287 2076.8016 1935.6675 116.1943 -206594.6530 17913.8601 0.0000 0.0000 34191.2911 -149579.7097 298.6010 -183771.0008 -149473.6381 298.5540 -5.9238 29.0792 555976.3685 -2.4169 -2.5311 PRESSURE: 3002800 89.6529 50.3462 115.474 50.3443 187.323 97.8407 115.475 97.8405 23.495 GPRESSURE: 3002800 138.183 -15.2857 192.219 106.721 220.688 85.8666 19.6979 59.0471 42.6227 PRESSAVG: 3002800 -5.72848 -65.3088 -12.758 -65.3089 -18.487 -38.3344 -12.7578 -38.3343 32.7706 GPRESSAVG: 3002800 -5.75627 -66.2633 -13.0733 -62.0171 -17.5846 -39.7961 -13.9807 -35.9022 33.0753 TIMING: 3002800 CPU: 8949.82, 0.0029517/step Wall: 8949.82, 0.0029517/step, 1.63754 hours remaining, 206.765625 MB of memory in use. ENERGY: 3002800 729.0504 2126.8025 1964.0474 116.4109 -206909.1562 18078.3212 0.0000 0.0000 34346.7291 -149547.7948 299.9585 -183894.5238 -149450.1387 298.8453 100.1569 133.8314 555957.7458 2.8517 3.2448 PRESSURE: 3003000 -120.519 -134.25 -87.1603 -134.249 3.24137 -90.9881 -87.1599 -90.9874 -429.938 GPRESSURE: 3003000 -120.781 -71.3944 -176.929 -192.76 35.5388 -41.4272 -56.5976 -210.386 -360.088 PRESSAVG: 3003000 -78.2128 -23.4749 -8.30589 -23.4749 72.1683 -22.6159 -8.30588 -22.6159 -23.2417 GPRESSAVG: 3003000 -77.1988 -21.0959 -7.17591 -24.3196 71.7897 -22.5751 -9.83432 -24.4587 -23.602 TIMING: 3003000 CPU: 8950.42, 0.00298121/step Wall: 8950.42, 0.00298121/step, 1.65374 hours remaining, 206.765625 MB of memory in use. ENERGY: 3003000 724.5559 2084.4950 1950.7450 120.0127 -206215.9416 17517.0457 0.0000 0.0000 34099.5468 -149719.5404 297.7998 -183819.0872 -149618.4761 298.8881 -182.4055 -148.4435 556724.8166 -9.7621 -9.6704 PRESSURE: 3003200 -322.122 -107.126 38.8475 -107.125 -55.4292 68.2138 38.8476 68.2132 -22.2414 GPRESSURE: 3003200 -316.299 -152.48 88.3968 -46.9347 13.8662 17.6356 61.5608 142.494 6.84302 PRESSAVG: 3003200 -63.4239 8.79366 -11.2314 8.79363 56.7705 15.4649 -11.2314 15.4649 17.5536 GPRESSAVG: 3003200 -64.2787 6.9678 -12.325 8.62729 57.0438 16.3506 -8.8535 16.9592 18.0587 TIMING: 3003200 CPU: 8951.01, 0.00296002/step Wall: 8951.01, 0.00296002/step, 1.64182 hours remaining, 206.765625 MB of memory in use. ENERGY: 3003200 759.0620 2129.5283 1952.2981 93.0365 -206472.1775 17681.4361 0.0000 0.0000 34069.8243 -149786.9923 297.5402 -183856.8166 -149694.2110 298.2071 -133.2641 -98.5299 556349.3560 3.6334 3.6079 PRESSURE: 3003400 66.4515 -9.63314 -18.0711 -9.63315 -9.43206 -48.8881 -18.0721 -48.8876 -4.13036 GPRESSURE: 3003400 75.8176 38.7521 -9.36299 -4.19041 58.3295 -89.5913 11.7674 -35.5504 31.0884 PRESSAVG: 3003400 -88.0627 21.203 -59.2227 21.203 49.7375 50.8572 -59.2227 50.8572 34.6644 GPRESSAVG: 3003400 -87.6199 23.5309 -59.0253 20.5488 50.4642 51.0566 -62.1771 49.0076 34.126 TIMING: 3003400 CPU: 8951.6, 0.0029302/step Wall: 8951.6, 0.00293021/step, 1.62512 hours remaining, 206.765625 MB of memory in use. ENERGY: 3003400 719.8774 2109.3119 1936.4842 106.4329 -206651.4348 17869.7926 0.0000 0.0000 34031.9819 -149877.5538 297.2098 -183909.5356 -149772.3764 297.9679 17.6297 55.0785 557246.7051 -1.2203 -1.0099 PRESSURE: 3003600 -146.421 -38.4728 53.9979 -38.4733 -182.604 -110.478 53.9967 -110.479 -163.763 GPRESSURE: 3003600 -86.2258 -104.866 84.6679 -47.1036 -172.133 -166.157 44.0412 -140.167 -130.875 PRESSAVG: 3003600 74.8334 16.8168 -63.7936 16.8168 -61.5773 50.3314 -63.7935 50.3314 -6.98058 GPRESSAVG: 3003600 74.4787 16.0454 -63.4703 17.7884 -62.2453 48.8169 -61.6553 52.0802 -6.23113 TIMING: 3003600 CPU: 8952.18, 0.00292635/step Wall: 8952.18, 0.00292635/step, 1.62282 hours remaining, 206.765625 MB of memory in use. ENERGY: 3003600 712.6851 2053.6354 1940.1959 97.4801 -206606.2302 17629.8995 0.0000 0.0000 34313.0354 -149859.2988 299.6643 -184172.3342 -149761.8824 297.8197 -164.2629 -129.7446 557746.4738 2.0918 2.0008 PRESSURE: 3003800 -220.144 -26.9566 17.9068 -26.9564 44.659 -48.7608 17.9071 -48.7615 81.978 GPRESSURE: 3003800 -185.352 71.9528 28.3173 -80.3574 81.8606 -15.1821 -48.8773 96.1571 94.6535 PRESSAVG: 3003800 -2.54673 -12.1779 15.9359 -12.178 -74.8826 -0.042404 15.9359 -0.0424256 54.6198 GPRESSAVG: 3003800 -2.19048 -12.6054 15.8607 -12.6547 -74.628 -0.534558 15.2716 0.846412 53.6841 TIMING: 3003800 CPU: 8952.77, 0.00293419/step Wall: 8952.77, 0.00293419/step, 1.62701 hours remaining, 206.765625 MB of memory in use. ENERGY: 3003800 747.4675 2130.2428 1946.3305 102.7282 -207107.0714 18061.5063 0.0000 0.0000 34315.1626 -149803.6335 299.6828 -184118.7961 -149708.1646 297.8649 -31.1689 -2.9458 555201.7795 -7.6032 -7.7115 PRESSURE: 3004000 14.2996 29.0499 -68.7563 29.0502 -160.402 57.9339 -68.7565 57.9355 -161.843 GPRESSURE: 3004000 51.5004 42.0831 -63.0676 -38.1215 -168.363 11.1969 -16.4089 61.6525 -88.9691 PRESSAVG: 3004000 89.3897 -49.5951 6.95065 -49.5951 -87.1038 -26.453 6.95066 -26.4529 10.8886 GPRESSAVG: 3004000 89.5696 -51.2043 7.10289 -50.2434 -87.6586 -24.7342 6.49835 -27.9547 11.3458 TIMING: 3004000 CPU: 8953.35, 0.00292251/step Wall: 8953.35, 0.00292251/step, 1.62037 hours remaining, 206.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3004000 714.8682 2094.1268 1925.4902 119.8879 -206409.2228 17670.7763 0.0000 0.0000 34075.0591 -149809.0141 297.5860 -183884.0733 -149712.5570 297.5194 -102.6484 -68.6105 557820.9466 4.3915 4.4189 PRESSURE: 3004200 -152.296 -177.034 -29.6172 -177.034 -108.875 -188.524 -29.6176 -188.524 -371.025 GPRESSURE: 3004200 -36.0176 -122.474 51.8795 -162.051 -183.867 -144 -56.886 -140.902 -318.184 PRESSAVG: 3004200 60.0599 -19.649 -13.4995 -19.649 -43.6609 -34.2057 -13.4994 -34.2058 -14.4418 GPRESSAVG: 3004200 59.9812 -19.3655 -14.0455 -17.9894 -42.7179 -35.6178 -12.4565 -33.9052 -14.8789 TIMING: 3004200 CPU: 8953.94, 0.00292951/step Wall: 8953.94, 0.00292951/step, 1.62409 hours remaining, 206.765625 MB of memory in use. ENERGY: 3004200 763.5356 2038.6022 1948.1618 115.2148 -206042.5859 17535.6591 0.0000 0.0000 33887.9185 -149753.4939 295.9516 -183641.4125 -149651.9716 297.2576 -210.7321 -179.3561 556929.5296 0.6524 0.7948 LDB: ============= START OF LOAD BALANCING ============== 8957.48 LDB: ============== END OF LOAD BALANCING =============== 8957.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8957.48 LDB: ============= START OF LOAD BALANCING ============== 8957.78 LDB: Largest compute 4773 load 0.027190 is 23.0% of average load 0.118271 LDB: Average compute 0.001739 is 1.5% of average load 0.118271 LDB: TIME 8957.78 LOAD: AVG 0.118271 MAX 0.199044 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.531 MB LDB: TIME 8957.78 LOAD: AVG 0.118271 MAX 0.199044 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.531 MB LDB: TIME 8957.78 LOAD: AVG 0.118271 MAX 0.199044 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.531 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8957.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8957.79 PRESSURE: 3004400 56.6306 -6.86604 -7.23175 -6.86637 92.2318 -63.7473 -7.23158 -63.7477 -202.336 GPRESSURE: 3004400 91.5149 -9.45355 54.9481 13.6185 93.7349 -59.4285 -78.8386 -62.0459 -143.038 PRESSAVG: 3004400 32.2224 45.2872 -5.08688 45.2873 -19.0769 12.7868 -5.08696 12.7869 21.1557 GPRESSAVG: 3004400 31.0911 45.1157 -5.00756 46.0742 -19.0464 13.2267 -5.59128 11.8304 21.8995 TIMING: 3004400 CPU: 8954.54, 0.00298914/step Wall: 8954.54, 0.00298914/step, 1.65698 hours remaining, 206.531250 MB of memory in use. ENERGY: 3004400 708.9108 2071.8320 1970.4754 111.8353 -206233.5390 17700.2099 0.0000 0.0000 33977.9811 -149692.2945 296.7382 -183670.2756 -149602.1366 297.6809 -17.8245 14.0707 556590.9148 11.4337 11.3147 PRESSURE: 3004600 -133.78 0.477307 -0.54487 0.479163 226.616 151.617 -0.54589 151.617 43.3526 GPRESSURE: 3004600 -80.2127 33.831 -49.1781 -41.1191 260.281 78.804 19.4388 136.779 48.7421 PRESSAVG: 3004600 34.4729 -3.05156 28.502 -3.05161 -19.5377 -21.9413 28.502 -21.9412 6.76272 GPRESSAVG: 3004600 34.4234 -1.37079 28.6721 -6.58645 -19.0009 -21.2743 29.0209 -22.5347 5.9605 TIMING: 3004600 CPU: 8955.12, 0.00294179/step Wall: 8955.12, 0.00294179/step, 1.63057 hours remaining, 206.531250 MB of memory in use. ENERGY: 3004600 687.2411 2132.3564 1956.1144 110.8380 -206680.0917 17977.8421 0.0000 0.0000 34134.2345 -149681.4653 298.1028 -183815.6998 -149579.1538 298.2949 45.3964 76.2701 555736.8958 7.2326 7.1277 PRESSURE: 3004800 -16.4287 -65.9219 113.211 -65.9223 -83.336 6.58325 113.212 6.58355 -146.037 GPRESSURE: 3004800 59.6893 -74.4452 74.3559 -66.2972 -97.3136 -12.8028 127.755 22.1193 -125.206 PRESSAVG: 3004800 -2.50737 -50.5626 -4.15348 -50.5627 52.353 64.3808 -4.15354 64.3809 -51.9421 GPRESSAVG: 3004800 -1.14926 -51.8233 -5.55426 -50.2276 51.0802 64.3056 -4.02302 64.8527 -51.3966 TIMING: 3004800 CPU: 8955.71, 0.00291184/step Wall: 8955.71, 0.00291184/step, 1.61381 hours remaining, 206.531250 MB of memory in use. ENERGY: 3004800 751.1541 2133.3165 1920.0600 120.4008 -206398.3427 17736.3521 0.0000 0.0000 34133.3861 -149603.6730 298.0954 -183737.0592 -149509.7572 297.6697 -81.9339 -54.2768 556326.5995 -0.6988 -0.4886 PRESSURE: 3005000 73.7148 -3.87687 80.5966 -3.87694 323.735 70.1375 80.5963 70.1358 17.6834 GPRESSURE: 3005000 61.0312 -17.212 51.7784 50.1324 354.127 -38.7959 134.743 66.0543 89.3527 PRESSAVG: 3005000 -10.1198 31.4188 16.1334 31.4189 40.7462 13.4916 16.1334 13.4915 -21.852 GPRESSAVG: 3005000 -10.729 31.9374 18.3649 32.9377 40.8474 13.2548 14.8592 13.3651 -21.3041 TIMING: 3005000 CPU: 8956.3, 0.00294224/step Wall: 8956.3, 0.00294224/step, 1.63049 hours remaining, 206.531250 MB of memory in use. ENERGY: 3005000 762.8842 2159.1962 1931.9709 117.9504 -206539.3738 17966.7575 0.0000 0.0000 34079.8667 -149520.7479 297.6280 -183600.6146 -149428.3324 298.8183 138.3777 168.1702 555904.0100 2.9248 2.9381 PRESSURE: 3005200 201.357 -62.1357 -88.9327 -62.1348 4.85204 32.9636 -88.9331 32.9635 22.3826 GPRESSURE: 3005200 275.956 -33.8164 -18.0494 -93.0692 42.7677 20.7199 -73.8571 21.2427 9.99978 PRESSAVG: 3005200 -13.5877 32.1163 -10.3426 32.1162 41.0537 -23.0034 -10.3426 -23.0034 -43.7277 GPRESSAVG: 3005200 -13.3761 31.5192 -9.59277 33.127 42.3189 -22.6497 -10.3641 -23.8028 -44.9618 TIMING: 3005200 CPU: 8956.88, 0.00291614/step Wall: 8956.88, 0.00291614/step, 1.61587 hours remaining, 206.531250 MB of memory in use. ENERGY: 3005200 734.0201 2065.5941 1942.3899 109.6114 -206539.6588 18138.9729 0.0000 0.0000 34110.0249 -149439.0454 297.8913 -183549.0704 -149339.3550 297.9797 76.1971 109.5746 557350.7674 -5.4206 -5.3397 PRESSURE: 3005400 -16.0614 110.294 29.6595 110.294 -178.588 127.238 29.6588 127.239 -239.801 GPRESSURE: 3005400 0.0963603 56.6094 6.82689 49.4442 -136.439 263.903 -5.07215 52.7035 -193.801 PRESSAVG: 3005400 56.2663 -19.3446 -37.0627 -19.3445 -71.691 2.11008 -37.0628 2.11013 39.2835 GPRESSAVG: 3005400 56.5858 -19.3399 -38.0887 -20.3479 -72.3373 -0.082069 -37.2998 3.57178 39.6874 TIMING: 3005400 CPU: 8957.47, 0.00294459/step Wall: 8957.47, 0.00294459/step, 1.63146 hours remaining, 206.531250 MB of memory in use. ENERGY: 3005400 723.3218 2045.9024 1928.9916 120.1890 -206334.1788 17737.7027 0.0000 0.0000 34360.9051 -149417.1661 300.0823 -183778.0712 -149311.2520 298.7739 -144.8166 -110.0478 558636.8896 7.9530 7.9786 PRESSURE: 3005600 -74.0013 16.4008 -31.0665 16.4013 72.4172 97.4463 -31.0672 97.4471 183.278 GPRESSURE: 3005600 -36.3732 2.85072 6.30446 33.1808 76.0872 152.364 -35.6446 154.765 236.204 PRESSAVG: 3005600 -61.836 31.996 -61.4099 31.996 6.14077 62.1883 -61.4098 62.1882 40.8556 GPRESSAVG: 3005600 -63.2236 32.6428 -61.3838 31.7437 6.23312 63.5445 -61.8769 61.3822 41.61 TIMING: 3005600 CPU: 8958.06, 0.00295598/step Wall: 8958.06, 0.00295598/step, 1.63762 hours remaining, 206.531250 MB of memory in use. ENERGY: 3005600 734.2641 2076.1997 1927.4281 114.5808 -206162.8557 17882.9142 0.0000 0.0000 34080.0486 -149347.4203 297.6295 -183427.4689 -149252.6848 299.5082 60.5647 91.9725 556398.3970 -4.9465 -5.1268 PRESSURE: 3005800 -32.4037 -47.9154 -15.6611 -47.9163 279.16 -126.663 -15.6619 -126.662 90.6568 GPRESSURE: 3005800 31.9258 -94.6633 -16.5999 -81.6493 265.671 -135.322 -12.9098 -49.0843 132.652 PRESSAVG: 3005800 12.9119 -22.4545 -25.9762 -22.4545 31.4024 19.5338 -25.9763 19.5337 -55.0993 GPRESSAVG: 3005800 11.229 -21.9282 -27.0991 -24.0855 33.147 19.5933 -23.8701 19.5934 -55.5725 TIMING: 3005800 CPU: 8958.65, 0.00295536/step Wall: 8958.65, 0.00295536/step, 1.63711 hours remaining, 206.531250 MB of memory in use. ENERGY: 3005800 758.9479 2032.6965 1929.7016 131.6206 -206602.7787 18071.0142 0.0000 0.0000 34267.8009 -149410.9970 299.2692 -183678.7979 -149314.8577 299.6244 112.4709 143.4165 558039.6442 -3.5950 -3.7322 PRESSURE: 3006000 549.27 -44.6535 111.808 -44.6541 121.141 34.1708 111.808 34.1715 124.901 GPRESSURE: 3006000 554.668 11.6508 127.588 -107.756 114.266 5.73035 120.065 94.0268 218.394 PRESSAVG: 3006000 4.67637 -71.433 -28.6592 -71.433 13.5971 5.57861 -28.6591 5.57859 -22.9737 GPRESSAVG: 3006000 6.96692 -73.2487 -26.6715 -69.3661 11.9966 6.85471 -30.3466 6.73299 -22.9201 TIMING: 3006000 CPU: 8959.24, 0.00293648/step Wall: 8959.24, 0.00293648/step, 1.62649 hours remaining, 206.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3006000 745.2131 2110.4713 1944.3056 110.9493 -206739.8013 18231.1140 0.0000 0.0000 34052.6724 -149545.0755 297.3905 -183597.7479 -149460.6770 298.8322 265.1038 295.7761 558786.0356 -1.5668 -1.3189 PRESSURE: 3006200 -77.2298 -118.755 34.0899 -118.754 -37.2468 -198.115 34.09 -198.114 -173.511 GPRESSURE: 3006200 -43.7111 -160.864 -0.9643 -63.6638 3.05708 -200.532 28.4856 -175.748 -140.667 PRESSAVG: 3006200 -13.4154 -5.54696 37.4331 -5.54689 37.536 -71.3561 37.433 -71.3562 -14.5558 GPRESSAVG: 3006200 -13.8568 -4.09552 35.5742 -6.86901 38.6059 -72.6128 39.1317 -71.17 -14.3504 TIMING: 3006200 CPU: 8959.83, 0.00295034/step Wall: 8959.83, 0.00295034/step, 1.63399 hours remaining, 206.531250 MB of memory in use. ENERGY: 3006200 745.0348 2105.1480 1927.0205 122.1733 -206190.9970 17613.9907 0.0000 0.0000 34201.4684 -149476.1612 298.6899 -183677.6296 -149376.3130 298.2526 -95.9959 -60.4403 558499.7824 3.1883 3.4662 PRESSURE: 3006400 -116.252 -61.0102 18.5119 -61.0092 33.0303 -10.6088 18.5123 -10.609 -73.2355 GPRESSURE: 3006400 -35.8568 -91.637 13.6638 16.4032 53.2416 6.197 4.65565 78.2347 -80.3232 PRESSAVG: 3006400 -21.4339 10.7439 -19.0402 10.744 49.8869 -22.9233 -19.0403 -22.9233 -14.5971 GPRESSAVG: 3006400 -20.6963 10.5263 -17.3242 12.0322 50.6544 -25.5497 -20.1449 -23.1292 -15.967 TIMING: 3006400 CPU: 8960.41, 0.00293271/step Wall: 8960.41, 0.00293271/step, 1.62407 hours remaining, 206.531250 MB of memory in use. ENERGY: 3006400 774.0521 2153.8104 1937.8078 113.5740 -206432.1909 17824.5079 0.0000 0.0000 34189.5484 -149438.8903 298.5858 -183628.4387 -149342.5292 298.5345 -52.1525 -20.9794 557468.9596 4.6186 4.6637 PRESSURE: 3006600 55.1833 277.665 16.4893 277.665 34.1443 -102.346 16.4893 -102.347 127.211 GPRESSURE: 3006600 138.708 260.376 94.2092 275.893 100.056 -164.929 -32.8017 -24.5839 74.5826 PRESSAVG: 3006600 62.5279 -6.3502 7.59046 -6.35014 6.17872 -15.8257 7.59055 -15.8257 -70.9169 GPRESSAVG: 3006600 61.782 -5.76096 8.29829 -6.66789 7.01049 -13.0755 5.84662 -16.7271 -70.9865 TIMING: 3006600 CPU: 8961, 0.00292538/step Wall: 8961, 0.00292538/step, 1.61985 hours remaining, 206.531250 MB of memory in use. ENERGY: 3006600 707.4177 2116.3940 1934.5282 113.2593 -206135.0161 17748.7970 0.0000 0.0000 34075.8234 -149438.7966 297.5926 -183514.6200 -149333.1996 298.5571 72.1794 104.4489 557858.1401 -0.7368 -0.7313 PRESSURE: 3006800 -189.613 156.357 -71.5439 156.356 110.762 122.555 -71.543 122.555 220.447 GPRESSURE: 3006800 -153.901 251.708 -58.4437 79.8958 115.24 102.385 -72.4706 175.054 273.597 PRESSAVG: 3006800 -5.92102 16.0438 -26.0136 16.0437 27.3267 -18.1486 -26.0135 -18.1486 -8.61686 GPRESSAVG: 3006800 -5.51531 15.8273 -25.2131 17.7951 26.0232 -18.7925 -24.3029 -17.0879 -7.66598 TIMING: 3006800 CPU: 8961.58, 0.00290779/step Wall: 8961.58, 0.00290779/step, 1.60995 hours remaining, 206.531250 MB of memory in use. ENERGY: 3006800 749.9978 2142.5990 1926.1736 98.3147 -206637.0205 18194.4215 0.0000 0.0000 34159.7820 -149365.7319 298.3259 -183525.5139 -149265.6653 298.7557 47.1984 78.3118 557178.8517 4.2629 4.2806 PRESSURE: 3007000 -190.427 64.9075 4.10372 64.9078 -118.212 -8.0921 4.1037 -8.09063 37.7858 GPRESSURE: 3007000 -151.755 71.6722 -35.6056 73.3474 -95.0671 97.5633 87.086 -88.988 67.9683 PRESSAVG: 3007000 -31.481 -21.852 3.58669 -21.852 29.6346 -3.19869 3.58681 -3.19866 18.9361 GPRESSAVG: 3007000 -31.0237 -22.0825 2.72281 -24.0568 29.7753 -1.73501 3.19716 -4.22545 18.2561 TIMING: 3007000 CPU: 8962.17, 0.00293036/step Wall: 8962.17, 0.00293036/step, 1.62228 hours remaining, 206.531250 MB of memory in use. ENERGY: 3007000 730.5407 2160.4417 1948.7215 110.6940 -206667.1149 17969.1501 0.0000 0.0000 34144.7753 -149602.7916 298.1948 -183747.5668 -149504.7973 298.7889 -90.2842 -59.6180 557731.7541 5.6966 5.6692 PRESSURE: 3007200 -144.655 -142.565 -191.45 -142.564 -91.8363 20.7158 -191.449 20.7176 116.238 GPRESSURE: 3007200 -119.182 -139.142 -232.864 -190.228 -69.3532 26.2582 -180.809 -52.1543 180.098 PRESSAVG: 3007200 -23.4736 -45.7507 17.6547 -45.7508 80.4427 -5.68847 17.6548 -5.6885 -46.8148 GPRESSAVG: 3007200 -23.4063 -47.0328 16.0595 -45.6852 79.4753 -5.94538 19.1682 -6.01748 -46.1284 TIMING: 3007200 CPU: 8962.76, 0.00294861/step Wall: 8962.76, 0.00294861/step, 1.63222 hours remaining, 206.531250 MB of memory in use. ENERGY: 3007200 731.2501 2090.5053 1909.4567 109.7031 -206251.3824 17686.6164 0.0000 0.0000 34070.9679 -149652.8829 297.5502 -183723.8508 -149556.6913 298.8998 -40.0844 -2.8123 556893.7113 3.3848 3.3136 PRESSURE: 3007400 52.4107 -154.936 -57.6167 -154.936 56.192 71.772 -57.6151 71.7725 -225.095 GPRESSURE: 3007400 129.167 -93.2812 -143.036 -237.687 66.0508 128.203 -81.4086 106.218 -203.381 PRESSAVG: 3007400 46.1303 -51.615 11.4861 -51.615 -26.7439 -11.478 11.486 -11.4779 -5.29049 GPRESSAVG: 3007400 46.5767 -48.767 12.5412 -54.1232 -26.8741 -10.8447 10.8774 -10.472 -5.61642 TIMING: 3007400 CPU: 8963.35, 0.00295467/step Wall: 8963.35, 0.00295467/step, 1.63541 hours remaining, 206.531250 MB of memory in use. ENERGY: 3007400 745.2193 2085.3642 1933.7206 100.0421 -206573.7682 17842.4810 0.0000 0.0000 34268.0491 -149598.8919 299.2714 -183866.9411 -149501.7603 298.7457 -38.8307 -2.7210 556117.2413 4.6986 4.6954 PRESSURE: 3007600 -216.407 30.7238 24.0934 30.7231 224.437 43.0408 24.0917 43.0406 -129.473 GPRESSURE: 3007600 -166.675 -93.1787 -56.0105 139.015 286.752 -29.3136 59.552 77.1645 -135.723 PRESSAVG: 3007600 1.33548 -21.0536 -29.7962 -21.0536 78.6587 13.8326 -29.7962 13.8325 -63.9422 GPRESSAVG: 3007600 0.680565 -23.0856 -30.5184 -16.2463 79.6062 13.9452 -29.9538 12.3255 -64.8752 TIMING: 3007600 CPU: 8963.94, 0.00296485/step Wall: 8963.94, 0.00296485/step, 1.64088 hours remaining, 206.531250 MB of memory in use. ENERGY: 3007600 745.2921 2095.0117 1959.7713 89.2579 -206468.0466 17764.0723 0.0000 0.0000 34279.7677 -149534.8736 299.3737 -183814.6413 -149434.2611 298.7000 -40.4809 -5.2155 556309.7210 5.3507 5.1372 PRESSURE: 3007800 93.6072 -41.3224 -148.029 -41.3201 129.981 5.99468 -148.028 5.99595 111.1 GPRESSURE: 3007800 168.239 -1.78466 -171.514 -63.0095 149.627 136.476 -130.086 20.6898 104.101 PRESSAVG: 3007800 8.74324 72.5335 -27.7608 72.5335 2.32661 27.3573 -27.7608 27.3574 -58.9058 GPRESSAVG: 3007800 8.94485 73.4395 -28.4952 69.4104 1.47349 26.876 -26.6786 29.7837 -58.249 TIMING: 3007800 CPU: 8964.53, 0.0029653/step Wall: 8964.53, 0.0029653/step, 1.64097 hours remaining, 206.531250 MB of memory in use. ENERGY: 3007800 739.7192 2079.3923 1970.1652 100.8713 -206886.5021 18090.8043 0.0000 0.0000 34235.7898 -149669.7600 298.9897 -183905.5498 -149575.7974 298.7674 111.5627 140.6561 556169.5780 -15.9453 -15.9436 PRESSURE: 3008000 137.741 53.3432 33.1909 53.3428 83.3557 17.8314 33.1908 17.8315 -81.3278 GPRESSURE: 3008000 150.081 49.8608 82.7052 54.3278 52.7578 26.8856 -32.4432 0.123442 25.9435 PRESSAVG: 3008000 30.8014 32.8904 2.98051 32.8904 43.1466 6.07134 2.98064 6.07133 -49.3 GPRESSAVG: 3008000 31.7329 33.1994 1.69908 34.3156 42.8464 8.08686 3.54479 4.34137 -49.8083 TIMING: 3008000 CPU: 8965.13, 0.00296098/step Wall: 8965.13, 0.00296098/step, 1.63841 hours remaining, 206.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3008000 728.3646 2131.4367 1930.7695 108.3653 -206229.7178 17672.7671 0.0000 0.0000 34007.3564 -149650.6583 296.9947 -183658.0147 -149563.7023 298.3100 46.5895 76.2609 556519.2066 8.2160 8.2570 PRESSURE: 3008200 -110.502 -47.4248 -144.522 -47.4243 98.4335 -42.96 -144.522 -42.9591 170.049 GPRESSURE: 3008200 -74.6854 -11.7458 -131.09 -73.0458 75.8628 -134.031 -133.053 -81.7712 252.929 PRESSAVG: 3008200 8.54191 91.2234 -26.4188 91.2233 -4.33625 -35.8344 -26.4188 -35.8343 32.9048 GPRESSAVG: 3008200 8.09682 90.9182 -24.7986 90.9766 -3.98709 -38.5603 -26.5947 -35.7666 33.2835 TIMING: 3008200 CPU: 8965.72, 0.00299262/step Wall: 8965.72, 0.00299262/step, 1.65575 hours remaining, 206.531250 MB of memory in use. ENERGY: 3008200 744.1979 2090.1265 1946.8118 126.3497 -206883.9354 18102.7816 0.0000 0.0000 34260.1595 -149613.5084 299.2025 -183873.6679 -149518.5800 298.1593 52.6602 84.7022 556853.9736 12.3701 12.4644 LDB: ============= START OF LOAD BALANCING ============== 8969.27 LDB: ============== END OF LOAD BALANCING =============== 8969.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8969.27 LDB: ============= START OF LOAD BALANCING ============== 8969.56 LDB: Largest compute 4773 load 0.027647 is 23.4% of average load 0.118286 LDB: Average compute 0.001735 is 1.5% of average load 0.118286 LDB: TIME 8969.57 LOAD: AVG 0.118286 MAX 0.198569 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.812 MB LDB: TIME 8969.57 LOAD: AVG 0.118286 MAX 0.198569 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.945 MB LDB: TIME 8969.57 LOAD: AVG 0.118286 MAX 0.198569 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.945 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8969.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8969.57 PRESSURE: 3008400 87.1581 -159.451 67.9806 -159.451 14.0241 84.4547 67.9801 84.4554 -25.31 GPRESSURE: 3008400 120.705 -231.052 40.3749 -94.8779 45.4324 110.462 59.1315 73.2491 16.3155 PRESSAVG: 3008400 -67.3613 47.0291 -53.4326 47.0291 56.1939 20.7164 -53.4326 20.7165 5.59167 GPRESSAVG: 3008400 -66.2548 47.1517 -52.0544 47.6976 56.3378 23.3805 -53.3184 19.924 4.48591 TIMING: 3008400 CPU: 8966.32, 0.00299904/step Wall: 8966.32, 0.00299904/step, 1.65913 hours remaining, 207.042969 MB of memory in use. ENERGY: 3008400 724.0861 2097.4699 1920.4940 118.5565 -206516.9991 17817.8449 0.0000 0.0000 34252.9641 -149585.5836 299.1397 -183838.5476 -149479.1133 298.1102 25.2907 60.8175 556579.4575 -1.8586 -1.8104 PRESSURE: 3008600 13.9003 -94.3581 -27.9715 -94.3579 119.677 5.59024 -27.9701 5.58842 -69.0712 GPRESSURE: 3008600 30.3074 -92.1605 66.3152 -77.7881 140.721 -21.3767 -143.415 24.8969 -8.33462 PRESSAVG: 3008600 -26.9634 -26.5231 -12.4625 -26.5231 81.8011 -47.1941 -12.4625 -47.1941 -34.5942 GPRESSAVG: 3008600 -29.1798 -29.2831 -14.4906 -23.8301 83.1542 -48.9384 -12.8269 -45.1727 -33.6433 TIMING: 3008600 CPU: 8966.91, 0.00293472/step Wall: 8966.91, 0.00293472/step, 1.62339 hours remaining, 207.246094 MB of memory in use. ENERGY: 3008600 729.5140 2056.9630 1914.9774 117.2589 -206301.0660 17631.6015 0.0000 0.0000 34203.6163 -149647.1349 298.7087 -183850.7512 -149545.6994 298.1076 21.5022 54.2313 556211.9621 6.7478 6.7770 PRESSURE: 3008800 235.805 111.334 -79.3475 111.334 98.5382 -166.001 -79.3464 -166.001 -106.974 GPRESSURE: 3008800 269.621 105.863 -43.0536 -22.0976 122.29 -107.943 -45.2363 -183.484 -73.4608 PRESSAVG: 3008800 20.3366 3.7175 -39.8192 3.71749 -32.2314 -0.0346812 -39.8192 -0.034624 -31.6531 GPRESSAVG: 3008800 20.7972 5.70761 -39.7118 0.423092 -33.3174 1.18443 -39.2623 -4.91581 -31.7758 TIMING: 3008800 CPU: 8967.5, 0.00295138/step Wall: 8967.5, 0.00295138/step, 1.63244 hours remaining, 207.246094 MB of memory in use. ENERGY: 3008800 744.1461 2092.3219 1921.8036 108.2549 -206453.2918 17853.5867 0.0000 0.0000 34180.9502 -149552.2284 298.5107 -183733.1786 -149453.0557 298.0865 75.7898 106.1501 556777.8137 -14.5160 -14.7653 PRESSURE: 3009000 21.4265 23.9649 23.6673 23.9645 35.3983 221.369 23.6672 221.368 122.389 GPRESSURE: 3009000 35.5804 130.294 -37.7924 76.8659 121.336 176.352 -37.4685 190.233 118.626 PRESSAVG: 3009000 -8.43335 22.5691 33.3849 22.569 12.0976 -37.1136 33.3848 -37.1137 6.70546 GPRESSAVG: 3009000 -8.53638 23.9886 33.5479 20.9828 11.6247 -38.6269 30.5129 -34.267 7.24999 TIMING: 3009000 CPU: 8968.09, 0.00293571/step Wall: 8968.09, 0.00293571/step, 1.62361 hours remaining, 207.246094 MB of memory in use. ENERGY: 3009000 753.6314 2061.0411 1917.8340 115.9877 -206734.6747 18017.1343 0.0000 0.0000 34150.0701 -149718.9761 298.2411 -183869.0462 -149622.9983 298.1406 59.7379 91.8475 555960.3221 3.4566 3.4461 PRESSURE: 3009200 -249.802 -104.397 -223.764 -104.397 -119.554 -10.9681 -223.764 -10.9681 -247.578 GPRESSURE: 3009200 -241.321 -35.522 -209.776 -146.63 -42.3585 42.6497 -162.025 -51.8542 -245.403 PRESSAVG: 3009200 63.2199 15.8887 -26.2081 15.8887 1.37794 14.962 -26.2081 14.9622 -78.1867 GPRESSAVG: 3009200 62.9946 15.0492 -25.4699 16.5099 1.69687 14.2253 -25.3272 15.0644 -78.1543 TIMING: 3009200 CPU: 8968.68, 0.00296269/step Wall: 8968.68, 0.00296269/step, 1.63837 hours remaining, 207.246094 MB of memory in use. ENERGY: 3009200 755.7290 2070.4523 1920.2895 124.0374 -206341.1932 17647.9312 0.0000 0.0000 34139.1751 -149683.5787 298.1459 -183822.7538 -149582.2811 298.2049 -205.6447 -176.3609 556760.5054 -4.5296 -4.4876 PRESSURE: 3009400 156.409 22.5375 -111.98 22.5383 173.662 100.286 -111.979 100.286 4.89021 GPRESSURE: 3009400 186.324 -0.0123409 -200.146 6.52034 177.349 96.4663 -0.814504 51.6027 74.619 PRESSAVG: 3009400 26.3726 -33.3538 -109.011 -33.3537 24.8395 -49.7433 -109.012 -49.7431 -29.2024 GPRESSAVG: 3009400 26.3881 -33.515 -109.608 -32.9519 23.5576 -49.0139 -107.145 -49.1251 -28.0083 TIMING: 3009400 CPU: 8969.27, 0.00297344/step Wall: 8969.27, 0.00297345/step, 1.64415 hours remaining, 207.246094 MB of memory in use. ENERGY: 3009400 736.7849 2065.1001 1952.8908 99.4263 -206660.1827 18146.0113 0.0000 0.0000 34136.5959 -149523.3735 298.1234 -183659.9694 -149428.4148 298.5327 111.6536 146.0975 556624.9785 7.3365 7.3125 PRESSURE: 3009600 121.997 -144.492 22.5408 -144.492 84.2353 -35.3476 22.5387 -35.3476 -41.8142 GPRESSURE: 3009600 107.365 -222.646 9.12274 -160.187 172.663 -17.322 -11.0631 -15.7666 -23.4018 PRESSAVG: 3009600 -15.3186 -7.84033 -18.4441 -7.84041 7.13169 -10.2739 -18.4441 -10.2739 -23.0685 GPRESSAVG: 3009600 -16.0701 -7.79408 -17.8669 -8.33626 10.0335 -10.6786 -19.6162 -9.32822 -25.6349 TIMING: 3009600 CPU: 8969.87, 0.00295311/step Wall: 8969.87, 0.00295311/step, 1.63274 hours remaining, 207.281250 MB of memory in use. ENERGY: 3009600 711.3011 2080.0847 1949.9467 115.5125 -206213.3561 17685.5569 0.0000 0.0000 34219.2399 -149451.7143 298.8451 -183670.9542 -149349.8885 298.1095 54.8060 85.5419 556663.1191 -10.4185 -10.5572 PRESSURE: 3009800 -96.8719 -72.6224 -27.4393 -72.6225 -132.819 -96.7349 -27.4401 -96.7337 115.184 GPRESSURE: 3009800 -56.5835 -57.9682 -19.5288 -48.7246 -110.684 -30.7775 -43.0231 -223.582 152.405 PRESSAVG: 3009800 -15.8609 51.4918 19.5983 51.4919 17.4495 -36.4046 19.5983 -36.4046 23.4421 GPRESSAVG: 3009800 -16.0774 52.5432 19.4639 51.313 15.6583 -37.41 18.5884 -37.1047 24.7347 TIMING: 3009800 CPU: 8970.45, 0.002926/step Wall: 8970.45, 0.002926/step, 1.61759 hours remaining, 207.281250 MB of memory in use. ENERGY: 3009800 756.8846 2055.4300 1936.9376 115.7790 -206208.4297 17705.3813 0.0000 0.0000 34138.6121 -149499.4050 298.1410 -183638.0171 -149401.1714 298.0066 -38.1689 -4.9540 557200.6984 8.3436 8.1052 PRESSURE: 3010000 107.896 -114.536 133.39 -114.535 82.3315 92.8899 133.389 92.8893 50.2227 GPRESSURE: 3010000 112.782 -53.0155 177.887 -58.7332 141.751 161.753 122.823 19.2009 91.8599 PRESSAVG: 3010000 81.9042 13.3939 16.3237 13.3937 -19.4286 -17.5912 16.3237 -17.5911 -33.594 GPRESSAVG: 3010000 82.2778 12.1932 16.2088 14.624 -18.771 -15.0605 16.1349 -18.5969 -34.213 TIMING: 3010000 CPU: 8971.04, 0.00293487/step Wall: 8971.04, 0.00293487/step, 1.62233 hours remaining, 207.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3010000 730.7969 2114.2711 1954.8340 118.5903 -206698.7131 18128.1649 0.0000 0.0000 34157.7494 -149494.3066 298.3081 -183652.0560 -149402.4438 298.1679 80.1500 115.4644 558040.8978 9.6272 9.7646 PRESSURE: 3010200 -100.648 -219.305 -53.4954 -219.305 13.3977 5.981 -53.4932 5.98218 -122.286 GPRESSURE: 3010200 -101.714 -218.835 4.08362 -277 28.8198 33.6834 -35.0303 52.0184 -46.2504 PRESSAVG: 3010200 1.59946 -15.7466 50.9248 -15.7466 31.0989 -2.1601 50.9248 -2.16002 -35.4945 GPRESSAVG: 3010200 2.39832 -15.7955 48.9836 -16.9389 29.9519 -2.08877 49.9968 -1.51823 -35.1718 TIMING: 3010200 CPU: 8971.63, 0.0029576/step Wall: 8971.63, 0.0029576/step, 1.63473 hours remaining, 207.281250 MB of memory in use. ENERGY: 3010200 773.9390 2108.9241 1945.5500 99.8456 -206331.4372 17766.7760 0.0000 0.0000 34142.7636 -149493.6389 298.1772 -183636.4025 -149403.1028 298.1706 -69.8456 -39.7148 557069.6007 -0.9321 -0.9405 PRESSURE: 3010400 -116.976 29.8468 118.598 29.847 92.2404 -76.8077 118.597 -76.8082 -210.529 GPRESSURE: 3010400 -107.069 -27.6757 176.704 28.458 61.8202 -135.677 1.57552 -71.161 -105.017 PRESSAVG: 3010400 -75.6328 -16.7455 50.8156 -16.7456 126.576 -5.50579 50.8155 -5.50575 -39.2793 GPRESSAVG: 3010400 -74.665 -18.7408 51.1775 -13.7273 126.698 -6.08139 52.5864 -6.0251 -39.8353 TIMING: 3010400 CPU: 8972.22, 0.0029695/step Wall: 8972.22, 0.0029695/step, 1.64114 hours remaining, 207.281250 MB of memory in use. ENERGY: 3010400 739.8198 2112.2548 1954.9294 101.5708 -206263.5325 17736.4941 0.0000 0.0000 34062.3469 -149556.1167 297.4749 -183618.4636 -149453.0548 298.2014 -78.4216 -50.0885 558564.8737 3.8878 4.0658 PRESSURE: 3010600 -243.34 -236.579 89.3298 -236.579 103.413 -128.306 89.3298 -128.305 -29.581 GPRESSURE: 3010600 -225.367 -148.734 105.414 -244.302 138.19 -200.168 77.3476 -13.5143 12.3504 PRESSAVG: 3010600 -6.78506 -26.9457 31.8789 -26.9457 32.5184 -67.2381 31.879 -67.2381 -41.3056 GPRESSAVG: 3010600 -8.28607 -25.8219 31.8181 -27.1582 32.9024 -67.9151 33.015 -67.8243 -39.8255 TIMING: 3010600 CPU: 8972.82, 0.00295982/step Wall: 8972.82, 0.00295982/step, 1.63563 hours remaining, 207.281250 MB of memory in use. ENERGY: 3010600 752.3639 2143.1579 1936.2915 118.8038 -206772.2491 18030.9945 0.0000 0.0000 34225.9101 -149564.7273 298.9034 -183790.6374 -149472.8918 297.6672 -56.5027 -24.9423 559485.1604 -5.1907 -5.0697 PRESSURE: 3010800 128.193 183.862 48.5514 183.865 74.4269 44.0134 48.5511 44.0136 -69.7908 GPRESSURE: 3010800 114.168 156.962 17.6117 189.315 123.722 94.8946 67.3769 -13.3919 -0.0344388 PRESSAVG: 3010800 -10.2517 -4.54685 -33.877 -4.54687 49.2694 26.9551 -33.877 26.955 -26.5677 GPRESSAVG: 3010800 -10.1517 -3.74228 -35.2446 -6.22816 50.257 28.948 -31.7406 26.9381 -27.5517 TIMING: 3010800 CPU: 8973.41, 0.00295786/step Wall: 8973.41, 0.00295786/step, 1.63438 hours remaining, 207.281250 MB of memory in use. ENERGY: 3010800 757.4634 2099.6217 1934.0290 116.9673 -206687.7648 17985.4395 0.0000 0.0000 34145.8238 -149648.4202 298.2040 -183794.2440 -149549.2308 298.0880 44.2765 79.2852 557182.4327 4.1500 4.1845 PRESSURE: 3011000 200.109 -113.928 62.7048 -113.929 140.689 -156.347 62.705 -156.347 284.363 GPRESSURE: 3011000 179.031 -151.181 61.5147 -100.768 257.906 -155.619 42.7661 -159.617 290.425 PRESSAVG: 3011000 -24.0338 51.4584 -8.21647 51.4584 46.7021 46.0364 -8.21633 46.0364 -47.3468 GPRESSAVG: 3011000 -23.4121 50.6314 -7.03591 51.0322 45.9812 43.5459 -11.2692 47.679 -47.3886 TIMING: 3011000 CPU: 8974, 0.00295141/step Wall: 8974, 0.00295141/step, 1.63065 hours remaining, 207.281250 MB of memory in use. ENERGY: 3011000 724.3111 2138.4612 1950.2995 146.4809 -206912.8127 18175.6403 0.0000 0.0000 34086.4321 -149691.1875 297.6853 -183777.6197 -149589.8272 297.7517 208.3873 242.4540 556607.6396 -8.2262 -8.2732 PRESSURE: 3011200 -177.505 8.25626 -136.899 8.25617 8.87476 -50.2668 -136.898 -50.2668 -118.495 GPRESSURE: 3011200 -150.626 10.7435 -133.17 45.1225 29.5241 -79.7879 -184.617 20.6326 -62.8887 PRESSAVG: 3011200 -34.0503 4.1065 -35.7148 4.10644 47.5791 -82.9744 -35.7148 -82.9743 -12.1735 GPRESSAVG: 3011200 -34.842 3.40064 -35.3818 6.25707 47.6198 -81.9583 -36.1764 -82.6263 -11.4555 TIMING: 3011200 CPU: 8974.58, 0.00292488/step Wall: 8974.58, 0.00292488/step, 1.61583 hours remaining, 207.281250 MB of memory in use. ENERGY: 3011200 710.5739 2080.9957 1910.0316 103.7890 -206134.6675 17663.3908 0.0000 0.0000 34159.0555 -149506.8310 298.3195 -183665.8865 -149403.4666 298.4749 -95.7085 -61.3301 557803.0130 0.4518 0.4408 PRESSURE: 3011400 -56.696 -74.7592 -185.295 -74.7589 165.523 20.2701 -185.295 20.269 273.355 GPRESSURE: 3011400 73.5879 -124.89 -105.949 20.7769 147.88 -51.8893 -36.2966 -3.0738 258.186 PRESSAVG: 3011400 -79.2085 4.89453 -49.4948 4.89456 59.8332 12.9087 -49.4947 12.9087 14.023 GPRESSAVG: 3011400 -78.3893 5.06099 -49.4731 4.63844 59.1623 13.6159 -48.5175 11.4587 13.7058 TIMING: 3011400 CPU: 8975.17, 0.00294032/step Wall: 8975.17, 0.00294032/step, 1.6242 hours remaining, 207.281250 MB of memory in use. ENERGY: 3011400 732.7154 2116.8268 1911.8167 119.3667 -206633.0042 18239.2763 0.0000 0.0000 34009.3160 -149503.6862 297.0118 -183513.0022 -149415.8328 298.2603 127.3942 159.8846 557207.9335 -1.7841 -1.8404 PRESSURE: 3011600 -10.1121 45.7144 -80.213 45.7133 -171.224 -19.1117 -80.2124 -19.1113 103.078 GPRESSURE: 3011600 59.3978 50.6282 -48.6339 3.15609 -104.918 42.0022 -156.363 -8.70188 78.437 PRESSAVG: 3011600 -24.1521 -29.9106 15.0227 -29.9107 3.3456 -51.0816 15.0226 -51.0816 35.8131 GPRESSAVG: 3011600 -23.781 -31.3516 15.5546 -29.368 3.32125 -50.6751 14.4114 -51.6391 35.4166 TIMING: 3011600 CPU: 8975.75, 0.00292054/step Wall: 8975.75, 0.00292054/step, 1.61311 hours remaining, 207.484375 MB of memory in use. ENERGY: 3011600 743.5050 2155.2966 1926.7034 109.0754 -206204.2440 17728.9303 0.0000 0.0000 34126.3528 -149414.3805 298.0339 -183540.7333 -149327.2641 298.5620 -26.0861 10.9723 556495.6318 5.0022 4.9856 PRESSURE: 3011800 -196.771 -15.8639 165.977 -15.8642 207.467 -20.1778 165.978 -20.1777 -15.7588 GPRESSURE: 3011800 -109.21 1.28775 219.787 -45.5485 231.464 -87.6891 139.223 -36.3274 -18.152 PRESSAVG: 3011800 2.22439 -30.9925 8.26557 -30.9925 35.6989 -57.1875 8.26551 -57.1875 13.124 GPRESSAVG: 3011800 1.90527 -28.2402 9.02353 -32.7228 36.171 -59.4934 7.75364 -55.6819 13.2267 TIMING: 3011800 CPU: 8976.34, 0.00291518/step Wall: 8976.34, 0.00291518/step, 1.60999 hours remaining, 207.484375 MB of memory in use. ENERGY: 3011800 724.1942 2096.4640 1920.0101 118.9402 -206195.6749 17790.9807 0.0000 0.0000 33878.6900 -149666.3957 295.8710 -183545.0857 -149575.6445 298.1908 -1.6875 34.7008 556164.6717 17.0158 17.1010 PRESSURE: 3012000 -137.165 -1.77596 59.9255 -1.77489 3.46925 -8.23978 59.9254 -8.23917 -212.513 GPRESSURE: 3012000 -141.758 42.3153 27.1207 -113.012 60.556 -42.4425 9.00004 1.30612 -161.683 PRESSAVG: 3012000 44.6861 13.8812 -19.8586 13.8813 49.1291 -36.1021 -19.8587 -36.1022 -106.67 GPRESSAVG: 3012000 44.5135 13.5584 -21.2662 13.4808 48.6308 -35.0021 -18.9116 -35.2188 -106.965 TIMING: 3012000 CPU: 8976.92, 0.00291537/step Wall: 8976.92, 0.00291537/step, 1.60993 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3012000 732.5636 2070.9141 1926.2093 123.0406 -206465.2536 17762.3040 0.0000 0.0000 34283.4863 -149566.7357 299.4062 -183850.2221 -149468.6418 298.3457 -115.4031 -80.9616 556514.2667 -4.2848 -4.6070 PRESSURE: 3012200 -70.8184 -46.8427 0.681959 -46.8415 -109.807 155.067 0.681732 155.066 146.944 GPRESSURE: 3012200 -68.5951 60.1689 28.0095 -45.0265 -65.1474 103.422 -67.5191 144.113 193.936 PRESSAVG: 3012200 32.02 -13.1138 -1.60047 -13.1137 -23.7064 -19.7338 -1.60052 -19.734 -47.9676 GPRESSAVG: 3012200 32.6435 -12.1373 0.102851 -13.0412 -23.7959 -18.8035 -2.965 -21.4165 -48.2046 TIMING: 3012200 CPU: 8977.51, 0.00294584/step Wall: 8977.51, 0.00294584/step, 1.62659 hours remaining, 207.484375 MB of memory in use. ENERGY: 3012200 752.8416 2123.5458 1942.1853 113.5162 -206138.8883 17581.9955 0.0000 0.0000 34152.4260 -149472.3779 298.2616 -183624.8039 -149379.3168 298.6433 -11.2272 20.0644 555625.9241 -13.2180 -13.1190 LDB: ============= START OF LOAD BALANCING ============== 8981.05 LDB: ============== END OF LOAD BALANCING =============== 8981.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8981.06 LDB: ============= START OF LOAD BALANCING ============== 8981.35 LDB: Largest compute 4773 load 0.026427 is 22.4% of average load 0.118115 LDB: Average compute 0.001735 is 1.5% of average load 0.118115 LDB: TIME 8981.35 LOAD: AVG 0.118115 MAX 0.198223 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.02 MB LDB: TIME 8981.35 LOAD: AVG 0.118115 MAX 0.198223 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.02 MB LDB: TIME 8981.35 LOAD: AVG 0.118115 MAX 0.198223 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.02 MB LDB: ============== END OF LOAD BALANCING =============== 8981.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8981.36 PRESSURE: 3012400 443.935 50.248 -114.827 50.2479 16.6514 22.869 -114.826 22.8682 -25.5131 GPRESSURE: 3012400 450.404 0.101119 -123.084 49.9595 11.7776 -45.8303 -128.012 21.1031 81.7329 PRESSAVG: 3012400 -18.2739 -18.4804 -10.793 -18.4805 48.1603 -19.443 -10.7929 -19.4431 -5.84237 GPRESSAVG: 3012400 -19.3564 -21.1543 -12.0967 -18.2566 48.6285 -21.6155 -9.2154 -18.4235 -4.44575 TIMING: 3012400 CPU: 8978.11, 0.00299772/step Wall: 8978.11, 0.00299772/step, 1.65507 hours remaining, 207.042969 MB of memory in use. ENERGY: 3012400 760.7632 2121.0626 1942.9909 97.6918 -206269.0541 18055.5466 0.0000 0.0000 33922.0957 -149368.9034 296.2501 -183290.9991 -149279.0784 299.1334 145.0245 181.3049 555251.2876 8.0147 8.2754 PRESSURE: 3012600 -173.037 -153.071 208.585 -153.071 -49.4005 -121.691 208.584 -121.691 -161.237 GPRESSURE: 3012600 -130.297 -191.215 267.285 -128.17 -4.94808 -5.70716 222.689 -123.118 -155.406 PRESSAVG: 3012600 46.8827 -22.8272 17.7125 -22.8272 -25.7104 -45.7648 17.7125 -45.7648 18.2624 GPRESSAVG: 3012600 47.7408 -21.6752 17.9919 -22.0647 -25.274 -43.3341 16.347 -44.9514 16.9587 TIMING: 3012600 CPU: 8978.69, 0.00291498/step Wall: 8978.69, 0.00291498/step, 1.60923 hours remaining, 207.042969 MB of memory in use. ENERGY: 3012600 794.1892 2111.7384 1936.7260 108.0655 -206105.4265 17683.7772 0.0000 0.0000 33944.3871 -149526.5432 296.4448 -183470.9303 -149429.7261 298.6742 -127.8917 -96.8839 556059.4270 13.1449 13.1418 PRESSURE: 3012800 63.1797 -234.563 95.9441 -234.563 132.86 -1.70053 95.9441 -1.7005 -147.851 GPRESSURE: 3012800 128.117 -166.006 17.9573 -196.803 105.845 -21.5943 118.46 -12.4873 -99.8622 PRESSAVG: 3012800 -18.3638 -33.0649 7.53761 -33.0649 39.1489 2.44791 7.5376 2.44791 -30.5552 GPRESSAVG: 3012800 -19.0126 -33.2112 8.34565 -33.1862 38.4812 0.306387 7.69536 1.89928 -29.4318 TIMING: 3012800 CPU: 8979.28, 0.00292017/step Wall: 8979.28, 0.00292017/step, 1.61193 hours remaining, 207.300781 MB of memory in use. ENERGY: 3012800 738.5735 2109.3372 1931.6071 115.3483 -206308.8133 17889.6116 0.0000 0.0000 34119.9086 -149404.4271 297.9776 -183524.3357 -149306.9575 298.3582 16.0630 44.7000 556348.7962 -3.2567 -3.3211 PRESSURE: 3013000 170.185 -111.511 42.0672 -111.51 -11.9161 177.071 42.0673 177.072 -122.741 GPRESSURE: 3013000 196.056 -114.306 -8.71258 -96.8668 51.7764 175.915 25.9866 131.569 -124.973 PRESSAVG: 3013000 -15.653 14.1087 -2.59219 14.1087 -2.31478 52.3736 -2.59227 52.3736 -23.1838 GPRESSAVG: 3013000 -14.3476 14.3533 -2.49409 14.2607 -3.12555 53.6354 -1.46168 50.3274 -24.025 TIMING: 3013000 CPU: 8979.86, 0.00294294/step Wall: 8979.86, 0.00294294/step, 1.62434 hours remaining, 207.300781 MB of memory in use. ENERGY: 3013000 759.7244 2119.2313 1908.2308 100.2006 -206246.0633 17906.5302 0.0000 0.0000 33812.6883 -149639.4575 295.2946 -183452.1459 -149542.4365 297.6380 11.8427 40.9531 557741.1872 -13.7172 -13.8327 PRESSURE: 3013200 187.735 -33.8858 -0.512038 -33.8867 -4.1164 -151.24 -0.51235 -151.239 215.876 GPRESSURE: 3013200 266.39 -17.6624 3.52867 12.096 -0.24767 -107.835 74.5393 -116.342 235.835 PRESSAVG: 3013200 -56.0664 -34.9227 -11.2971 -34.9227 33.9642 4.44409 -11.2972 4.44396 13.9595 GPRESSAVG: 3013200 -56.701 -34.806 -11.6595 -36.2527 34.5968 4.72346 -10.4571 5.17997 13.8473 TIMING: 3013200 CPU: 8980.46, 0.00296389/step Wall: 8980.46, 0.00296389/step, 1.63574 hours remaining, 207.300781 MB of memory in use. ENERGY: 3013200 718.8218 2012.5102 1918.9806 102.3281 -206479.9670 17988.0399 0.0000 0.0000 34175.2775 -149564.0089 298.4612 -183739.2864 -149460.9992 297.6740 133.1651 167.3255 557069.7324 -2.7142 -2.7523 PRESSURE: 3013400 -52.5542 15.3435 -185.69 15.343 -269.677 92.6222 -185.69 92.6221 -142.938 GPRESSURE: 3013400 -38.9811 16.9467 -219.546 69.2851 -195.074 19.2014 -65.678 62.5949 -144.422 PRESSAVG: 3013400 -27.7385 0.662443 4.24213 0.662449 14.6424 0.287781 4.24216 0.287705 21.4898 GPRESSAVG: 3013400 -28.1345 1.31189 2.41231 0.606256 14.5684 1.01113 3.40563 2.0326 22.1833 TIMING: 3013400 CPU: 8981.05, 0.00295173/step Wall: 8981.05, 0.00295173/step, 1.62886 hours remaining, 207.300781 MB of memory in use. ENERGY: 3013400 749.0554 2014.1583 1940.7784 105.8632 -206093.4271 17615.9825 0.0000 0.0000 34022.4499 -149645.1394 297.1265 -183667.5894 -149552.2399 297.6997 -155.0566 -126.1591 558440.7160 2.7979 2.8724 PRESSURE: 3013600 212.491 35.7275 155.193 35.7283 -233.59 117.36 155.192 117.359 -101.418 GPRESSURE: 3013600 265.977 -51.2314 107.232 11.6763 -236.644 180.56 234.051 84.4817 -53.823 PRESSAVG: 3013600 56.5386 33.5407 29.0075 33.5407 -75.234 29.5664 29.0074 29.5663 5.42785 GPRESSAVG: 3013600 56.8501 33.0359 29.7002 33.3442 -74.6017 30.5147 29.191 26.1488 4.72367 TIMING: 3013600 CPU: 8981.64, 0.00296265/step Wall: 8981.64, 0.00296265/step, 1.63473 hours remaining, 207.300781 MB of memory in use. ENERGY: 3013600 718.2910 2056.3498 1931.1541 104.0864 -206184.6566 17781.3614 0.0000 0.0000 34170.8292 -149422.5847 298.4224 -183593.4138 -149324.7574 297.9895 -40.8386 -8.1633 557511.4613 -4.4225 -4.3426 PRESSURE: 3013800 -186.504 -69.6113 88.7765 -69.6099 -284.488 -49.5416 88.7758 -49.5428 26.0639 GPRESSURE: 3013800 -163.273 -54.9776 71.6437 -58.656 -255.286 5.47589 70.309 -36.2439 54.3663 PRESSAVG: 3013800 -7.68887 9.59264 54.2066 9.5927 -3.65503 -3.74026 54.2067 -3.74027 48.5826 GPRESSAVG: 3013800 -8.39778 9.56498 56.2497 9.84104 -3.48667 -4.97033 54.6826 -0.417274 49.3525 TIMING: 3013800 CPU: 8982.23, 0.00297318/step Wall: 8982.23, 0.00297318/step, 1.64037 hours remaining, 207.300781 MB of memory in use. ENERGY: 3013800 770.7053 2093.9764 1939.9884 111.8171 -206059.0120 17705.9870 0.0000 0.0000 34034.9732 -149401.5647 297.2359 -183436.5379 -149309.7293 298.7902 -148.3092 -121.3975 559178.4920 12.4129 12.4893 PRESSURE: 3014000 -179.05 -93.6624 -47.902 -93.6634 -326.044 47.2775 -47.9018 47.2788 -54.7496 GPRESSURE: 3014000 -119.293 -86.4921 -124.146 -74.3088 -293.083 179.08 9.5473 6.51442 -66.8842 PRESSAVG: 3014000 21.5797 -48.8228 15.4437 -48.8228 -76.3727 -44.6122 15.4438 -44.6121 47.4042 GPRESSAVG: 3014000 21.2901 -47.8973 14.6882 -46.7579 -75.1116 -45.0947 15.8166 -44.7033 46.5412 TIMING: 3014000 CPU: 8982.83, 0.00296652/step Wall: 8982.83, 0.00296652/step, 1.63653 hours remaining, 207.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3014000 753.7018 2107.3450 1953.2672 104.9629 -206326.2420 17724.4269 0.0000 0.0000 34250.1744 -149432.3639 299.1153 -183682.5383 -149342.6370 298.7011 -186.6145 -159.7534 558775.8277 -2.4629 -2.4268 PRESSURE: 3014200 126.415 -77.7219 91.9389 -77.7207 -119.408 -77.7593 91.9384 -77.7592 -204.241 GPRESSURE: 3014200 173.491 -110.647 85.1024 -57.7574 -19.5578 -162.252 175.837 -19.612 -254.418 PRESSAVG: 3014200 48.9653 -48.2165 57.3525 -48.2163 -45.1434 -37.6123 57.3526 -37.6124 18.3751 GPRESSAVG: 3014200 49.8841 -48.5118 59.4771 -49.4622 -46.5025 -35.4613 56.3002 -38.3829 18.5898 TIMING: 3014200 CPU: 8983.42, 0.00294748/step Wall: 8983.42, 0.00294748/step, 1.62586 hours remaining, 207.300781 MB of memory in use. ENERGY: 3014200 722.4077 2112.5887 1958.3722 110.4155 -206026.9600 17679.9214 0.0000 0.0000 34088.9226 -149354.3318 297.7070 -183443.2545 -149255.6288 299.0605 -65.7448 -33.4949 558724.2582 7.3990 7.3238 PRESSURE: 3014400 105.717 66.0515 150.998 66.0519 129.308 269.528 150.997 269.528 -298.18 GPRESSURE: 3014400 124.324 39.522 7.83703 53.1253 191.611 234.18 150.99 226.104 -288.734 PRESSAVG: 3014400 -20.8015 -9.97373 10.8102 -9.97369 80.285 -0.334154 10.8101 -0.334221 -57.6709 GPRESSAVG: 3014400 -21.922 -8.32803 9.11279 -11.1117 80.0685 -1.80306 10.1162 -1.07709 -56.7264 TIMING: 3014400 CPU: 8984.01, 0.00293756/step Wall: 8984.01, 0.00293756/step, 1.62023 hours remaining, 207.300781 MB of memory in use. ENERGY: 3014400 754.6302 2076.8804 1929.0908 105.6789 -206474.7248 17936.0471 0.0000 0.0000 34130.4129 -149541.9845 298.0694 -183672.3974 -149444.5946 298.9875 -21.0517 9.0669 556890.0739 0.6042 0.4733 PRESSURE: 3014600 -124.642 -49.2588 -113.073 -49.258 77.7729 -26.5627 -113.073 -26.5625 -183.547 GPRESSURE: 3014600 -141.369 -40.7301 -140.18 21.4681 127.376 19.1823 -46.9729 23.9702 -121.985 PRESSAVG: 3014600 -50.9938 -43.0131 -4.86033 -43.013 -10.0721 53.1175 -4.86033 53.1174 53.9671 GPRESSAVG: 3014600 -51.1066 -44.1193 -4.21643 -42.7997 -9.29565 51.8645 -2.40381 53.9632 53.1059 TIMING: 3014600 CPU: 8984.59, 0.00292073/step Wall: 8984.59, 0.00292073/step, 1.61078 hours remaining, 207.300781 MB of memory in use. ENERGY: 3014600 737.4620 2040.9851 1924.1620 116.2798 -206326.5786 17787.6927 0.0000 0.0000 34319.6371 -149400.3598 299.7219 -183719.9969 -149303.8806 299.3534 -76.8053 -45.3260 557463.9904 -2.3663 -2.4321 PRESSURE: 3014800 319.325 8.26289 -13.2415 8.26383 -101.436 -9.2027 -13.2409 -9.20273 -138.811 GPRESSURE: 3014800 351.282 64.5598 -38.2556 -59.2087 -33.473 66.1014 -1.23247 -57.8444 -126.041 PRESSAVG: 3014800 -43.5021 18.7515 -10.2529 18.7514 20.0924 20.9616 -10.2529 20.9616 24.5838 GPRESSAVG: 3014800 -43.1899 18.1161 -7.93477 19.0557 19.5897 22.2141 -12.9433 20.369 24.5075 TIMING: 3014800 CPU: 8985.17, 0.00292755/step Wall: 8985.17, 0.00292755/step, 1.61438 hours remaining, 207.300781 MB of memory in use. ENERGY: 3014800 732.2787 2035.7088 1950.9403 111.3428 -206517.0770 17976.9604 0.0000 0.0000 34260.7048 -149449.1413 299.2073 -183709.8460 -149351.2127 299.1391 26.3592 63.9226 558316.1264 0.3914 0.3024 PRESSURE: 3015000 -125.724 102.552 42.1029 102.553 -21.585 -19.8786 42.1032 -19.8789 -144.621 GPRESSURE: 3015000 -89.9412 58.3642 153.256 110.727 0.499869 -11.3693 22.9164 17.0173 -110.855 PRESSAVG: 3015000 33.5732 -5.00782 29.6553 -5.00779 3.92415 21.2201 29.6553 21.2201 -36.238 GPRESSAVG: 3015000 33.715 -4.24081 27.6195 -5.22156 4.05227 19.7346 30.375 23.7729 -36.2981 TIMING: 3015000 CPU: 8985.76, 0.00291352/step Wall: 8985.76, 0.00291352/step, 1.60648 hours remaining, 207.300781 MB of memory in use. ENERGY: 3015000 768.2134 2014.7025 1939.8944 115.6343 -205947.7844 17528.6263 0.0000 0.0000 34138.7096 -149442.0040 298.1418 -183580.7136 -149347.7011 298.4917 -97.3099 -66.7656 557765.4301 0.4198 0.4897 PRESSURE: 3015200 215.04 -100.229 104.973 -100.23 238.94 -51.9497 104.972 -51.9491 -24.1946 GPRESSURE: 3015200 274.915 -77.1905 213.916 -149.566 230.45 20.8484 20.9584 -89.2198 15.9566 PRESSAVG: 3015200 36.0814 13.1924 23.0474 13.1925 34.6641 1.85237 23.0475 1.8524 -25.917 GPRESSAVG: 3015200 35.9806 10.7246 24.2951 14.0767 34.5883 2.28155 22.1669 1.07877 -25.9262 TIMING: 3015200 CPU: 8986.34, 0.00293334/step Wall: 8986.34, 0.00293334/step, 1.61725 hours remaining, 207.300781 MB of memory in use. ENERGY: 3015200 766.7719 2072.0755 1952.7160 115.6110 -206692.8403 18038.5698 0.0000 0.0000 34274.7089 -149472.3871 299.3296 -183747.0960 -149375.7259 298.6194 143.2617 173.7738 556325.8535 14.9428 14.8809 PRESSURE: 3015400 100.283 -74.5846 -54.9387 -74.5832 46.4152 80.6049 -54.9384 80.6068 193.373 GPRESSURE: 3015400 162.373 -95.9589 -76.0655 -22.6341 76.398 97.8077 -46.6761 71.6151 197.999 PRESSAVG: 3015400 -2.04944 45.5391 -26.502 45.5391 48.6431 -43.6372 -26.502 -43.6372 -7.29078 GPRESSAVG: 3015400 -2.32954 47.7637 -27.409 45.3581 48.281 -42.7239 -24.3243 -44.6523 -6.15635 TIMING: 3015400 CPU: 8986.94, 0.00295689/step Wall: 8986.94, 0.00295689/step, 1.63007 hours remaining, 207.300781 MB of memory in use. ENERGY: 3015400 733.1364 2033.3824 1922.1945 114.3418 -206545.9657 17952.1436 0.0000 0.0000 34304.9826 -149485.7844 299.5939 -183790.7670 -149392.1865 298.3381 113.3572 145.5901 556071.2324 13.1009 13.2650 PRESSURE: 3015600 81.3241 -102.087 85.4757 -102.087 94.118 -48.1547 85.4754 -48.1543 -41.4824 GPRESSURE: 3015600 58.2984 -216.973 155.647 -74.0453 144.864 -13.9048 100.967 -16.9293 30.0606 PRESSAVG: 3015600 -29.173 -43.1866 -9.88913 -43.1867 14.6009 -58.2637 -9.88915 -58.2636 19.0616 GPRESSAVG: 3015600 -28.9515 -45.1034 -10.0991 -42.6333 15.7296 -59.0419 -11.7299 -57.1977 18.0226 TIMING: 3015600 CPU: 8987.52, 0.0029457/step Wall: 8987.52, 0.0029457/step, 1.62374 hours remaining, 207.300781 MB of memory in use. ENERGY: 3015600 745.1289 2034.0153 1940.2927 125.3542 -206722.5646 18046.9728 0.0000 0.0000 34209.4654 -149621.3352 298.7598 -183830.8007 -149521.3872 297.9779 44.6532 77.7409 556219.9500 1.4965 1.6002 PRESSURE: 3015800 107.415 -139.209 -273.203 -139.209 -113.842 23.7975 -273.203 23.7984 19.0842 GPRESSURE: 3015800 164.695 -204.062 -223.676 -88.2188 -118.233 89.7547 -272.782 30.5321 67.7448 PRESSAVG: 3015800 -26.1743 -0.411058 -25.4911 -0.41119 55.7188 -26.2055 -25.4911 -26.2055 -9.52451 GPRESSAVG: 3015800 -26.6115 1.25542 -25.2759 -1.31776 55.2144 -27.8887 -23.7014 -24.387 -8.12118 TIMING: 3015800 CPU: 8988.11, 0.00292124/step Wall: 8988.11, 0.00292124/step, 1.61009 hours remaining, 207.300781 MB of memory in use. ENERGY: 3015800 765.0677 2054.3602 1973.0943 119.5365 -206283.9056 17764.1714 0.0000 0.0000 34125.9053 -149481.7702 298.0300 -183607.6756 -149388.1240 298.0267 4.2191 38.0692 555151.3951 6.6733 6.8272 PRESSURE: 3016000 21.5717 136.981 -131.839 136.981 -177.079 -38.8893 -131.84 -38.8867 99.0322 GPRESSURE: 3016000 55.8955 113.721 -189.566 181.107 -143.951 54.6368 -77.2199 -95.3636 129.012 PRESSAVG: 3016000 -31.1871 35.6396 -11.4808 35.6396 -5.89095 13.9679 -11.4808 13.9678 13.2668 GPRESSAVG: 3016000 -30.3414 36.5373 -10.9845 34.4366 -5.11619 16.0136 -13.8474 10.797 11.9316 TIMING: 3016000 CPU: 8988.7, 0.00294066/step Wall: 8988.7, 0.00294066/step, 1.62063 hours remaining, 207.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3016000 774.7840 2073.4789 1931.1641 113.4429 -206315.8610 17889.0693 0.0000 0.0000 34187.6572 -149346.2647 298.5693 -183533.9218 -149238.5089 298.8055 -18.8251 13.6520 556896.9419 -7.9371 -7.8420 PRESSURE: 3016200 -19.9098 -39.2206 93.1836 -39.2189 -189.361 173.191 93.1851 173.193 28.0695 GPRESSURE: 3016200 -1.26775 4.23183 105.872 -18.9425 -109.235 156.151 29.3119 142.243 16.7466 PRESSAVG: 3016200 17.8133 53.9565 -10.3641 53.9565 -32.4956 63.7949 -10.3641 63.7949 38.4913 GPRESSAVG: 3016200 17.1595 52.5722 -9.40252 54.8785 -32.274 63.2859 -9.7578 65.5714 38.6446 TIMING: 3016200 CPU: 8989.29, 0.00294827/step Wall: 8989.29, 0.00294827/step, 1.62466 hours remaining, 207.300781 MB of memory in use. ENERGY: 3016200 740.8604 2081.7297 1931.3749 111.4946 -206547.9890 17904.5358 0.0000 0.0000 34422.2641 -149355.7295 300.6182 -183777.9936 -149263.2974 299.0005 -60.4003 -31.2521 557505.0729 7.9364 7.8434 LDB: ============= START OF LOAD BALANCING ============== 8992.83 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8992.83 LDB: =============== DONE WITH MIGRATION ================ 8992.83 LDB: ============= START OF LOAD BALANCING ============== 8993.13 LDB: Largest compute 4773 load 0.027600 is 23.4% of average load 0.118151 LDB: Average compute 0.001742 is 1.5% of average load 0.118151 LDB: TIME 8993.13 LOAD: AVG 0.118151 MAX 0.199824 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.02 MB LDB: TIME 8993.13 LOAD: AVG 0.118151 MAX 0.199824 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.027 MB LDB: TIME 8993.13 LOAD: AVG 0.118151 MAX 0.199824 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.027 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8993.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8993.14 PRESSURE: 3016400 -73.6175 191.344 -161.884 191.345 150.701 -23.9454 -161.885 -23.9455 -68.0128 GPRESSURE: 3016400 -22.8029 221.657 -155.403 21.0057 118.969 -13.0943 -78.67 -56.4864 -11.5839 PRESSAVG: 3016400 -35.3803 55.6409 3.38167 55.6409 16.9109 -21.9081 3.38153 -21.9081 38.5179 GPRESSAVG: 3016400 -34.6087 57.4726 3.02697 53.9231 15.1876 -21.7939 4.00675 -22.0789 38.9585 TIMING: 3016400 CPU: 8989.89, 0.00300763/step Wall: 8989.89, 0.00300763/step, 1.65721 hours remaining, 207.042969 MB of memory in use. ENERGY: 3016400 763.7875 2029.1605 1932.4478 111.8450 -206355.0355 17865.4557 0.0000 0.0000 34231.9791 -149420.3599 298.9564 -183652.3390 -149323.7011 299.6045 3.0235 28.1940 557785.4856 6.6828 6.5125 PRESSURE: 3016600 -258.584 42.7649 289 42.7651 -162.832 -11.983 289 -11.9829 11.3996 GPRESSURE: 3016600 -179.252 61.2985 294.707 111.828 -136.375 -73.1288 310.16 31.337 1.17128 PRESSAVG: 3016600 -20.8957 -55.4021 12.0022 -55.402 -22.8885 -15.8384 12.0021 -15.8383 1.33234 GPRESSAVG: 3016600 -22.4481 -56.1048 10.5204 -55.0371 -20.8755 -17.2773 13.0173 -16.3079 0.580034 TIMING: 3016600 CPU: 8990.48, 0.00294245/step Wall: 8990.48, 0.00294245/step, 1.62113 hours remaining, 207.042969 MB of memory in use. ENERGY: 3016600 771.1972 2043.0041 1932.4966 114.8378 -206339.5905 17666.2373 0.0000 0.0000 34461.2370 -149350.5804 300.9586 -183811.8174 -149248.9425 298.9386 -136.6720 -104.8188 557227.3869 -14.1506 -14.2478 PRESSURE: 3016800 -105.123 175.973 38.0549 175.973 -57.0957 -142.045 38.0532 -142.045 -46.1581 GPRESSURE: 3016800 -165.711 173.959 77.0032 152.79 11.3599 -124.4 39.0476 -82.956 30.3493 PRESSAVG: 3016800 -92.9609 43.6193 12.3556 43.6192 30.0793 -16.7379 12.3555 -16.738 35.4374 GPRESSAVG: 3016800 -93.3922 44.9822 11.8158 45.6501 30.1594 -12.3662 12.4217 -19.2148 35.588 TIMING: 3016800 CPU: 8991.07, 0.00294533/step Wall: 8991.07, 0.00294533/step, 1.62255 hours remaining, 207.300781 MB of memory in use. ENERGY: 3016800 779.5463 2097.7052 1894.0189 104.4819 -206793.1198 17869.8824 0.0000 0.0000 34389.1382 -149658.3469 300.3289 -184047.4850 -149561.7501 298.6865 -69.4590 -41.3341 556959.2625 -9.1480 -9.2149 PRESSURE: 3017000 41.3205 0.916326 -142.978 0.917225 -104.951 -22.6842 -142.978 -22.6844 -107.856 GPRESSURE: 3017000 86.7567 -21.8505 -127.097 -73.3417 -81.6616 -36.4444 -110.777 -23.8819 -77.9487 PRESSAVG: 3017000 -14.4353 -14.758 -13.0156 -14.7581 -24.9152 -62.027 -13.0156 -62.027 -23.9888 GPRESSAVG: 3017000 -15.1749 -17.1411 -13.348 -15.1717 -24.6401 -63.58 -13.4998 -60.5375 -23.7452 TIMING: 3017000 CPU: 8991.66, 0.00295699/step Wall: 8991.66, 0.00295699/step, 1.62881 hours remaining, 207.300781 MB of memory in use. ENERGY: 3017000 682.6380 2046.2282 1931.1051 101.5196 -206619.1246 17878.5587 0.0000 0.0000 34245.3940 -149733.6811 299.0735 -183979.0751 -149633.3053 297.7496 -57.1620 -24.2845 558228.0914 -21.1131 -21.1867 PRESSURE: 3017200 -282.985 66.7843 -31.2381 66.7834 -211.001 -155.64 -31.239 -155.641 2.92722 GPRESSURE: 3017200 -198.984 130.975 -9.50177 42.8184 -185.035 -169.273 3.35329 -197.207 3.06553 PRESSAVG: 3017200 -7.06526 26.8139 -8.70711 26.8139 52.8552 -7.05714 -8.70715 -7.05709 -26.5397 GPRESSAVG: 3017200 -6.49753 26.9106 -7.08567 27.6756 51.7414 -8.15088 -8.20152 -6.27868 -26.0671 TIMING: 3017200 CPU: 8992.24, 0.00292717/step Wall: 8992.24, 0.00292717/step, 1.61222 hours remaining, 207.300781 MB of memory in use. ENERGY: 3017200 737.6750 2090.7118 1939.8113 122.7821 -206488.6598 17836.9140 0.0000 0.0000 34287.6203 -149473.1453 299.4423 -183760.7656 -149379.8844 298.9292 -163.6862 -126.9844 556991.6937 6.4167 6.3923 PRESSURE: 3017400 -153.88 21.1071 -95.8187 21.1066 -165.039 -75.5021 -95.8192 -75.5018 -27.9324 GPRESSURE: 3017400 -122.822 1.67835 -137.321 25.1185 -123.56 -126.697 -159.204 9.07635 2.98836 PRESSAVG: 3017400 -43.093 -8.17496 10.6292 -8.17497 -4.23588 -23.4425 10.6292 -23.4424 74.2016 GPRESSAVG: 3017400 -42.702 -9.22914 10.7943 -8.58969 -3.08121 -21.4072 9.95873 -26.8074 72.8491 TIMING: 3017400 CPU: 8992.83, 0.00295932/step Wall: 8992.83, 0.00295932/step, 1.62976 hours remaining, 207.300781 MB of memory in use. ENERGY: 3017400 736.4686 2161.8331 1915.1133 105.3947 -206355.4098 17775.1725 0.0000 0.0000 34135.1201 -149526.3075 298.1105 -183661.4276 -149431.0600 298.7224 -115.6174 -81.1314 557251.9961 8.9576 9.0220 PRESSURE: 3017600 182.39 110.638 -84.6538 110.638 74.1527 -140.517 -84.6535 -140.515 288.418 GPRESSURE: 3017600 112.779 82.553 -150.291 164.924 141.121 -88.234 -28.9358 -188.754 387.578 PRESSAVG: 3017600 9.00865 -40.3608 -39.838 -40.3609 50.1065 -30.5205 -39.8381 -30.5205 -20.8878 GPRESSAVG: 3017600 8.5989 -39.3699 -39.0216 -41.1387 49.5943 -31.281 -40.7885 -26.8069 -19.7638 TIMING: 3017600 CPU: 8993.43, 0.00297066/step Wall: 8993.43, 0.00297066/step, 1.63584 hours remaining, 207.300781 MB of memory in use. ENERGY: 3017600 713.4859 2089.6026 1930.9363 114.9631 -206783.5384 18140.6233 0.0000 0.0000 34175.2421 -149618.6852 298.4609 -183793.9272 -149510.2513 298.5609 181.6536 213.8258 556587.9178 12.7425 12.8098 PRESSURE: 3017800 85.9096 -43.7998 -308.875 -43.7976 122.514 -21.2618 -308.876 -21.2604 207.425 GPRESSURE: 3017800 152.962 -67.0202 -265.436 -95.8676 91.0021 -68.6408 -296.922 12.9563 256.145 PRESSAVG: 3017800 -27.6491 3.69388 26.5596 3.69393 -20.1848 9.02262 26.5596 9.02268 19.447 GPRESSAVG: 3017800 -26.9032 3.58816 26.3593 3.63397 -20.3045 7.94912 27.9631 7.21143 18.5669 TIMING: 3017800 CPU: 8994.02, 0.00293867/step Wall: 8994.02, 0.00293867/step, 1.61806 hours remaining, 207.300781 MB of memory in use. ENERGY: 3017800 776.2582 2072.2288 1915.7434 105.8697 -206840.7144 18165.7364 0.0000 0.0000 34179.3368 -149625.5411 298.4966 -183804.8779 -149532.9688 298.1167 138.6164 166.7028 557064.3540 -9.4623 -9.5469 PRESSURE: 3018000 206.85 -92.4748 -19.6704 -92.475 -66.636 83.2956 -19.6714 83.2944 30.4515 GPRESSURE: 3018000 212.066 -92.178 25.2541 -131.986 -8.71758 29.911 13.2619 96.379 79.8996 PRESSAVG: 3018000 19.4759 5.35476 -26.6968 5.35465 9.75731 -18.7053 -26.6969 -18.7053 -47.8047 GPRESSAVG: 3018000 19.9096 6.05809 -26.82 4.0629 9.13726 -17.4223 -26.6503 -18.0718 -47.369 TIMING: 3018000 CPU: 8994.61, 0.00296206/step Wall: 8994.61, 0.00296206/step, 1.63078 hours remaining, 207.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3018000 737.6030 2040.7839 1933.2063 94.3874 -206273.9458 17773.5053 0.0000 0.0000 34213.9631 -149480.4969 298.7990 -183694.4600 -149385.1321 298.0407 56.8886 94.4161 556539.1558 -6.1905 -6.1074 PRESSURE: 3018200 132.465 -26.2677 -39.8818 -26.2673 -69.417 209.481 -39.883 209.481 43.3151 GPRESSURE: 3018200 97.3083 -16.5835 -93.0912 -76.1907 -27.9884 282.87 -62.825 96.0029 127.761 PRESSAVG: 3018200 19.893 -12.3616 -4.04029 -12.3615 -18.6828 -14.2359 -4.04033 -14.2359 -58.9859 GPRESSAVG: 3018200 19.2704 -12.4188 -1.91544 -11.43 -19.1515 -13.2779 -5.46573 -14.3402 -58.7954 TIMING: 3018200 CPU: 8995.2, 0.002959/step Wall: 8995.2, 0.002959/step, 1.62893 hours remaining, 207.300781 MB of memory in use. ENERGY: 3018200 702.7324 2064.8318 1954.5160 112.2900 -206517.6545 17751.2751 0.0000 0.0000 34182.4259 -149749.5835 298.5236 -183932.0094 -149652.0972 297.5545 35.4544 65.6937 556486.2549 -19.2586 -19.5588 PRESSURE: 3018400 -160.466 -97.4914 -260.97 -97.4918 139.206 -41.5176 -260.971 -41.5173 -276.724 GPRESSURE: 3018400 -133.373 -92.6666 -206.114 -63.5947 98.4718 -41.523 -242.007 -117.545 -166.165 PRESSAVG: 3018400 -6.338 30.5394 -13.2261 30.5395 35.8177 23.3576 -13.2262 23.3576 -19.4103 GPRESSAVG: 3018400 -6.66305 31.6231 -13.4353 30.8503 36.5914 19.4457 -12.72 23.4296 -19.7596 TIMING: 3018400 CPU: 8995.79, 0.00296772/step Wall: 8995.79, 0.00296772/step, 1.63356 hours remaining, 207.300781 MB of memory in use. ENERGY: 3018400 723.4787 2042.0612 1950.4295 114.0442 -206270.6501 17624.3953 0.0000 0.0000 33918.7464 -149897.4949 296.2208 -183816.2413 -149796.3123 296.8905 -99.3284 -67.0219 556062.1987 3.3565 3.3896 PRESSURE: 3018600 -96.2477 73.9432 -6.36077 73.9443 7.12571 -122.592 -6.35944 -122.593 -25.6491 GPRESSURE: 3018600 -58.0851 68.8779 0.508791 175.813 22.0411 -172.764 -3.32562 -65.1089 5.66066 PRESSAVG: 3018600 9.50325 34.3756 -44.5956 34.3755 33.5698 25.9971 -44.5956 25.9971 -13.558 GPRESSAVG: 3018600 9.58249 33.5888 -44.4962 34.2717 33.3451 29.3011 -45.0154 24.9997 -13.7557 TIMING: 3018600 CPU: 8996.39, 0.00295944/step Wall: 8996.39, 0.00295944/step, 1.62884 hours remaining, 207.300781 MB of memory in use. ENERGY: 3018600 734.7972 2104.1292 1963.2440 127.1932 -206475.0642 17656.1256 0.0000 0.0000 34038.2812 -149851.2938 297.2648 -183889.5750 -149762.2608 297.1910 -38.2570 -10.1278 556511.9717 9.8384 9.7240 PRESSURE: 3018800 219.04 61.1657 -203.944 61.1664 40.2729 -184.35 -203.944 -184.35 197.395 GPRESSURE: 3018800 210.65 -40.6948 -231.281 61.5136 75.9685 -152.099 -175.866 -191.437 269.359 PRESSAVG: 3018800 -13.6311 -8.53686 -23.4633 -8.5368 -22.1344 -33.4877 -23.4633 -33.4877 33.2383 GPRESSAVG: 3018800 -13.5328 -8.24594 -24.0063 -8.75625 -21.5944 -34.4839 -22.8247 -34.1005 32.4798 TIMING: 3018800 CPU: 8996.98, 0.00295353/step Wall: 8996.98, 0.00295353/step, 1.62543 hours remaining, 207.300781 MB of memory in use. ENERGY: 3018800 749.4602 2081.9346 1944.4437 108.2812 -206950.9833 18241.8089 0.0000 0.0000 33936.1131 -149888.9415 296.3725 -183825.0546 -149801.9414 297.1436 152.2362 185.3260 555163.4200 -0.8424 -0.8825 PRESSURE: 3019000 -227.771 -46.7954 9.54542 -46.796 -151.687 -173.326 9.54455 -173.324 -256.351 GPRESSURE: 3019000 -251.836 -109.906 49.4953 -46.2406 -125.293 -175.502 -45.878 -113.521 -174.478 PRESSAVG: 3019000 -6.26755 -23.8734 -26.621 -23.8734 -27.0661 -15.5066 -26.6209 -15.5065 63.892 GPRESSAVG: 3019000 -6.09743 -25.0972 -27.0707 -23.652 -27.8794 -14.7672 -27.0125 -15.851 64.4855 TIMING: 3019000 CPU: 8997.57, 0.00294605/step Wall: 8997.57, 0.00294605/step, 1.62115 hours remaining, 207.300781 MB of memory in use. ENERGY: 3019000 790.9811 2091.2644 1916.9421 103.0348 -206430.8885 17714.4928 0.0000 0.0000 33983.2964 -149830.8770 296.7846 -183814.1733 -149728.6359 296.7863 -211.9364 -183.8688 557850.9437 10.1861 10.1696 PRESSURE: 3019200 173.908 50.713 -23.3577 50.7131 281.842 32.7119 -23.3577 32.7117 381.214 GPRESSURE: 3019200 249.261 -12.0009 17.3966 98.7339 257.836 124.222 14.4736 22.1096 426.614 PRESSAVG: 3019200 2.36584 -21.5048 -84.8319 -21.5048 7.70872 -26.8555 -84.8319 -26.8554 -25.8304 GPRESSAVG: 3019200 2.24084 -21.7547 -85.0319 -19.5398 8.39363 -26.9109 -85.1141 -26.0627 -26.3609 TIMING: 3019200 CPU: 8998.16, 0.00294574/step Wall: 8998.16, 0.00294574/step, 1.62081 hours remaining, 207.300781 MB of memory in use. ENERGY: 3019200 750.8331 2064.0107 1906.3882 107.5768 -206748.0871 18157.6810 0.0000 0.0000 33744.8317 -150016.7656 294.7020 -183761.5974 -149917.0078 296.8400 278.9879 311.2371 555904.2976 -5.2520 -5.2422 PRESSURE: 3019400 -33.8432 52.0705 46.864 52.0714 -403.618 -229.34 46.8642 -229.34 -114.15 GPRESSURE: 3019400 63.1391 141.899 86.8898 30.0653 -362.607 -176.796 -0.965606 -170.281 -158.178 PRESSAVG: 3019400 20.5857 -24.9686 25.5169 -24.9686 -1.22237 -13.7228 25.5169 -13.7227 25.702 GPRESSAVG: 3019400 21.1186 -23.8091 25.0813 -29.0681 -2.15021 -15.4 26.7943 -10.5817 25.5564 TIMING: 3019400 CPU: 8998.74, 0.00294487/step Wall: 8998.74, 0.00294487/step, 1.62017 hours remaining, 207.300781 MB of memory in use. ENERGY: 3019400 723.5082 2064.8930 1919.9416 109.2994 -206536.3299 17568.2108 0.0000 0.0000 34152.5229 -149997.9540 298.2625 -184150.4769 -149902.4038 297.5075 -183.8706 -152.5484 556214.8899 15.0218 14.8416 PRESSURE: 3019600 56.8589 -110.989 206.51 -110.989 -64.3934 104.132 206.511 104.132 -50.9574 GPRESSURE: 3019600 61.8361 -128.391 170.545 -35.0878 -21.9475 92.8568 149.564 147.369 1.55505 PRESSAVG: 3019600 55.9995 -34.7087 4.54556 -34.7086 13.6598 -33.8994 4.54558 -33.8993 -84.5756 GPRESSAVG: 3019600 53.4532 -35.9916 3.42019 -30.46 15.6963 -33.6851 3.83717 -34.8876 -84.4499 TIMING: 3019600 CPU: 8999.33, 0.00293269/step Wall: 8999.33, 0.00293269/step, 1.61331 hours remaining, 207.300781 MB of memory in use. ENERGY: 3019600 743.2018 2087.4650 1929.3997 103.5628 -206856.1565 17935.8953 0.0000 0.0000 34091.8165 -149964.8154 297.7323 -184056.6319 -149863.0497 297.1610 -19.4973 13.8146 556894.5121 -4.9721 -5.1001 PRESSURE: 3019800 -105.025 103.695 266.321 103.695 -64.5473 -62.1757 266.322 -62.1758 -50.6909 GPRESSURE: 3019800 -51.6211 170.133 256.432 35.5261 -21.9746 -92.7717 218.4 -7.81839 -60.2729 PRESSAVG: 3019800 45.4432 17.3218 80.8046 17.3218 -77.9453 10.7669 80.8046 10.7668 -19.2517 GPRESSAVG: 3019800 46.361 18.5553 83.0992 15.8437 -80.4914 10.7887 79.0362 9.36145 -17.7828 TIMING: 3019800 CPU: 8999.91, 0.00291265/step Wall: 8999.91, 0.00291265/step, 1.60212 hours remaining, 207.300781 MB of memory in use. ENERGY: 3019800 734.8883 2056.0875 1958.5562 110.3110 -206158.7135 17577.2566 0.0000 0.0000 33790.6082 -149931.0056 295.1018 -183721.6138 -149832.1367 297.0023 -73.4210 -44.6229 556108.1191 -17.2512 -17.3044 PRESSURE: 3020000 -227.301 -87.9162 -6.54297 -87.9161 -101.372 43.5897 -6.54428 43.5897 66.3404 GPRESSURE: 3020000 -194.676 -113.668 -22.0183 -80.484 -63.3003 141.029 -53.1172 -13.0894 97.4829 PRESSAVG: 3020000 14.4613 -4.4707 27.0543 -4.47084 20.3903 -1.01604 27.0544 -1.01601 -45.9763 GPRESSAVG: 3020000 15.2611 -5.0436 26.7834 -4.12059 20.2078 -0.236047 28.1893 -0.513141 -46.5179 TIMING: 3020000 CPU: 9000.5, 0.00293424/step Wall: 9000.5, 0.00293424/step, 1.61383 hours remaining, 207.300781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3020000 743.5734 2071.9189 1906.2090 105.0168 -206358.7129 17579.5541 0.0000 0.0000 34143.3545 -149809.0861 298.1824 -183952.4407 -149709.4187 298.0592 -87.4442 -53.4976 556375.9330 -3.7082 -3.6830 PRESSURE: 3020200 229.584 -57.1055 -134.285 -57.1058 64.5469 20.0573 -134.284 20.0577 -30.6162 GPRESSURE: 3020200 272.395 -10.5515 -206.34 -64.4115 96.3579 32.0419 -63.8016 30.5779 -11.0021 PRESSAVG: 3020200 25.922 39.2437 29.4137 39.2438 -2.43316 18.1657 29.4137 18.1656 -12.996 GPRESSAVG: 3020200 24.7617 38.9402 28.9073 38.9768 -1.47324 19.2 31.4364 18.1527 -12.9327 TIMING: 3020200 CPU: 9001.09, 0.00292554/step Wall: 9001.09, 0.00292554/step, 1.60888 hours remaining, 207.300781 MB of memory in use. ENERGY: 3020200 742.0802 2067.6156 1945.8788 112.0950 -206624.7410 17899.1461 0.0000 0.0000 34241.0914 -149616.8339 299.0360 -183857.9253 -149527.1130 298.0938 87.8381 119.2503 554911.5562 3.4976 3.4519 LDB: ============= START OF LOAD BALANCING ============== 9004.63 LDB: ============== END OF LOAD BALANCING =============== 9004.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9004.63 LDB: ============= START OF LOAD BALANCING ============== 9004.93 LDB: Largest compute 4773 load 0.028024 is 23.7% of average load 0.118195 LDB: Average compute 0.001744 is 1.5% of average load 0.118195 LDB: TIME 9004.93 LOAD: AVG 0.118195 MAX 0.19907 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.074 MB LDB: TIME 9004.93 LOAD: AVG 0.118195 MAX 0.19907 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.074 MB LDB: TIME 9004.93 LOAD: AVG 0.118195 MAX 0.19907 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.074 MB LDB: ============== END OF LOAD BALANCING =============== 9004.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9004.94 PRESSURE: 3020400 55.5743 166.437 -63.0756 166.437 -73.4558 -5.38557 -63.0751 -5.3854 160.657 GPRESSURE: 3020400 149.944 129.657 -1.17656 182.44 -5.99094 -46.7694 -23.6335 -39.5175 86.9786 PRESSAVG: 3020400 46.3024 -31.4275 0.611361 -31.4275 51.3482 -25.1456 0.611378 -25.1458 -35.7228 GPRESSAVG: 3020400 47.7489 -31.7047 0.278248 -31.3527 49.8346 -27.5868 0.343389 -24.4799 -35.8547 TIMING: 3020400 CPU: 9001.69, 0.00301893/step Wall: 9001.69, 0.00301893/step, 1.66008 hours remaining, 207.105469 MB of memory in use. ENERGY: 3020400 727.6270 2071.2840 1934.1246 113.3632 -206287.4356 17747.4571 0.0000 0.0000 34035.2680 -149658.3116 297.2385 -183693.5796 -149562.8326 298.4736 47.5920 76.9772 555728.7703 20.6426 20.5763 PRESSURE: 3020600 -141.897 -149.037 -70.0516 -149.036 -395.04 167.778 -70.0513 167.776 -308.582 GPRESSURE: 3020600 -138.142 -138.475 38.6299 -202.521 -374.832 114.629 -76.5267 116.682 -244.07 PRESSAVG: 3020600 -40.4387 -29.9729 61.0385 -29.9729 6.06362 12.8403 61.0384 12.8403 58.7787 GPRESSAVG: 3020600 -40.9069 -29.744 61.5149 -29.5245 6.88198 13.1867 59.8676 12.4909 58.1994 TIMING: 3020600 CPU: 9002.28, 0.00295334/step Wall: 9002.28, 0.00295334/step, 1.62384 hours remaining, 207.308594 MB of memory in use. ENERGY: 3020600 758.9760 2099.0080 1939.2011 122.8642 -205983.7136 17426.8999 0.0000 0.0000 34059.7151 -149577.0493 297.4520 -183636.7644 -149483.7544 298.5077 -281.8398 -252.3482 556784.4872 8.1345 8.0582 PRESSURE: 3020800 182.244 8.85841 -32.4347 8.85937 -80.0246 -23.261 -32.4357 -23.2597 -259.311 GPRESSURE: 3020800 225.897 -119.301 -56.7832 47.0528 -6.2995 -72.8168 -46.9553 36.3304 -276.09 PRESSAVG: 3020800 38.3624 -26.6843 -29.5187 -26.6842 -62.025 -15.9292 -29.5188 -15.9293 22.3462 GPRESSAVG: 3020800 39.9353 -25.9014 -28.557 -26.5551 -63.507 -16.1036 -29.3914 -17.4773 22.405 TIMING: 3020800 CPU: 9002.87, 0.00296103/step Wall: 9002.87, 0.00296103/step, 1.62791 hours remaining, 207.308594 MB of memory in use. ENERGY: 3020800 717.2267 2085.6636 1930.7294 111.2227 -206227.5059 17630.3863 0.0000 0.0000 34254.8255 -149497.4517 299.1559 -183752.2771 -149394.3235 298.4054 -52.3638 -18.8312 557719.4440 -0.4388 -0.3889 PRESSURE: 3021000 -309.983 58.0586 -22.1484 58.0597 228.782 139.223 -22.1475 139.222 -56.3456 GPRESSURE: 3021000 -276.788 -64.8587 43.8694 72.7102 237.526 30.947 80.2746 116.252 4.69268 PRESSAVG: 3021000 -48.7361 -15.4289 36.7007 -15.429 46.3487 -26.6555 36.7007 -26.6557 -0.763425 GPRESSAVG: 3021000 -50.6477 -15.3855 35.6487 -14.6754 48.4916 -27.9407 36.23 -25.0424 -1.22268 TIMING: 3021000 CPU: 9003.47, 0.00297018/step Wall: 9003.47, 0.00297018/step, 1.63278 hours remaining, 207.308594 MB of memory in use. ENERGY: 3021000 725.5316 2101.1304 1927.9770 111.3430 -206374.8281 17957.5254 0.0000 0.0000 33942.1452 -149609.1755 296.4252 -183551.3207 -149510.4966 298.3690 -45.8486 -11.5233 558175.4386 -1.0503 -1.1263 PRESSURE: 3021200 -63.7554 78.775 -142.525 78.7746 -247.002 -67.2894 -142.525 -67.2895 -10.0137 GPRESSURE: 3021200 -42.7068 9.94811 -100.489 29.4777 -205.524 -93.9251 -158.806 -125.767 25.8782 PRESSAVG: 3021200 -24.3016 -4.72045 -22.5471 -4.72049 8.7923 -25.8263 -22.5471 -25.8263 -0.975532 GPRESSAVG: 3021200 -24.9642 -3.82668 -22.9353 -6.95286 8.50722 -23.0099 -20.5506 -27.0397 -0.340524 TIMING: 3021200 CPU: 9004.06, 0.0029593/step Wall: 9004.06, 0.0029593/step, 1.62663 hours remaining, 207.308594 MB of memory in use. ENERGY: 3021200 740.0871 2120.0104 1941.2513 119.3206 -206386.9021 17726.2885 0.0000 0.0000 34316.0670 -149423.8771 299.6907 -183739.9441 -149329.8645 298.4664 -106.9237 -74.1176 556408.9212 -5.4950 -5.5992 PRESSURE: 3021400 248.203 35.1932 11.7669 35.1922 246.313 -21.3313 11.7657 -21.3308 221.431 GPRESSURE: 3021400 249.242 92.9241 30.9776 37.5629 330.365 -116.583 38.155 -74.7531 238.981 PRESSAVG: 3021400 -2.2704 -7.77153 29.2834 -7.77164 36.5579 -13.1743 29.2834 -13.1742 -49.1 GPRESSAVG: 3021400 -2.09592 -8.91032 29.4129 -7.04159 36.77 -12.1528 27.4026 -14.4365 -49.7126 TIMING: 3021400 CPU: 9004.65, 0.00294965/step Wall: 9004.65, 0.00294965/step, 1.62116 hours remaining, 207.308594 MB of memory in use. ENERGY: 3021400 738.2046 2141.3918 1917.8271 108.4366 -206584.9738 18037.8359 0.0000 0.0000 34097.3833 -149543.8945 297.7809 -183641.2777 -149449.9162 298.5344 238.6491 272.8625 555604.2206 -4.9375 -5.0128 PRESSURE: 3021600 3.64916 85.6777 -1.03942 85.6772 -64.6399 -52.3258 -1.03989 -52.3256 -232.542 GPRESSURE: 3021600 9.57097 142.759 32.4256 16.8534 2.67613 -32.0248 -114.855 -99.4767 -201.598 PRESSAVG: 3021600 -18.6466 57.5674 -12.6419 57.5673 52.787 50.3549 -12.642 50.3549 -64.1864 GPRESSAVG: 3021600 -18.4946 60.0827 -12.9979 56.468 52.2408 49.1415 -13.086 50.2895 -63.6709 TIMING: 3021600 CPU: 9005.23, 0.00293049/step Wall: 9005.23, 0.00293049/step, 1.61047 hours remaining, 207.308594 MB of memory in use. ENERGY: 3021600 803.6880 2115.3509 1942.6009 121.0438 -206222.8280 17768.6984 0.0000 0.0000 34068.2254 -149403.2207 297.5263 -183471.4461 -149318.3243 298.7835 -97.8442 -63.1170 556593.7923 -10.0153 -9.9749 PRESSURE: 3021800 -248.625 45.8737 -90.5145 45.8727 35.8472 -62.7772 -90.5143 -62.778 -166.724 GPRESSURE: 3021800 -198.387 124.509 -148.374 83.9824 34.4683 -119.599 -40.4281 -97.6755 -121.071 PRESSAVG: 3021800 -19.7895 6.65051 -42.9105 6.65057 -28.811 -1.55161 -42.9105 -1.5515 27.7721 GPRESSAVG: 3021800 -20.1577 5.40286 -42.2082 7.19194 -29.1898 -1.57515 -41.7415 -0.525271 27.8101 TIMING: 3021800 CPU: 9005.82, 0.00291476/step Wall: 9005.82, 0.00291476/step, 1.60166 hours remaining, 207.308594 MB of memory in use. ENERGY: 3021800 764.8898 2102.3574 1939.4031 116.9087 -206460.9384 17897.4077 0.0000 0.0000 34249.7516 -149390.2201 299.1116 -183639.9717 -149297.5702 298.6587 -126.5005 -94.9968 557549.0779 -6.9428 -7.1792 PRESSURE: 3022000 -22.4293 22.2133 66.4502 22.213 -35.2757 280.799 66.449 280.799 93.5032 GPRESSURE: 3022000 46.5096 22.9184 -12.7478 6.70428 -39.8289 232.855 128.513 249.399 118.441 PRESSAVG: 3022000 -79.0961 11.9813 -32.4391 11.9813 59.4387 31.6853 -32.4391 31.6853 26.5758 GPRESSAVG: 3022000 -78.8252 10.4529 -31.7933 10.4031 60.9259 32.1398 -33.0512 31.4334 24.7889 TIMING: 3022000 CPU: 9006.4, 0.00290822/step Wall: 9006.4, 0.00290822/step, 1.5979 hours remaining, 207.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3022000 729.0682 2067.0094 1936.5551 110.2657 -206241.7329 17735.6876 0.0000 0.0000 34252.3894 -149410.7576 299.1346 -183663.1469 -149319.5594 299.0519 11.9327 41.7071 556550.1104 2.3061 2.2965 PRESSURE: 3022200 9.84614 83.9502 -92.9516 83.9507 -28.6322 95.9926 -92.9513 95.9931 -185.109 GPRESSURE: 3022200 -5.6946 65.4853 -92.112 80.5361 54.648 93.2165 -131.759 80.4334 -165.035 PRESSAVG: 3022200 24.7615 -11.5699 -31.9866 -11.5698 -8.67697 127.901 -31.9866 127.9 -24.1689 GPRESSAVG: 3022200 25.3847 -10.9062 -32.9125 -11.3868 -10.1926 129.609 -31.4622 127.28 -23.4431 TIMING: 3022200 CPU: 9006.98, 0.00291335/step Wall: 9006.98, 0.00291335/step, 1.60056 hours remaining, 207.308594 MB of memory in use. ENERGY: 3022200 754.7969 2044.3591 1924.2719 105.1995 -206376.5517 17880.0354 0.0000 0.0000 34291.8750 -149376.0141 299.4795 -183667.8891 -149278.1718 298.6358 -67.9650 -38.6938 556929.0149 -2.6948 -2.7503 PRESSURE: 3022400 -270.807 75.9927 14.9876 75.9935 -28.1305 138.331 14.9863 138.329 -299.053 GPRESSURE: 3022400 -272.354 50.7597 39.0058 78.443 -13.2253 78.1838 15.7239 111.146 -224.966 PRESSAVG: 3022400 -13.6907 -0.816425 -14.8703 -0.816417 76.3011 57.0087 -14.8704 57.0086 -25.0947 GPRESSAVG: 3022400 -14.7869 -0.125073 -13.4102 -0.192743 77.0167 53.7568 -14.6537 58.2519 -25.0147 TIMING: 3022400 CPU: 9007.57, 0.00295831/step Wall: 9007.57, 0.00295831/step, 1.6251 hours remaining, 207.308594 MB of memory in use. ENERGY: 3022400 794.5560 2099.0078 1906.3703 114.0461 -206162.2552 17532.0488 0.0000 0.0000 34218.6959 -149497.5303 298.8404 -183716.2262 -149398.0690 299.4401 -199.3301 -170.1818 556249.7758 12.5052 12.4050 PRESSURE: 3022600 -48.2487 23.5024 73.4843 23.5027 26.7461 -103.236 73.4854 -103.233 24.2887 GPRESSURE: 3022600 -85.5824 -12.5216 86.2795 50.8076 102.165 -133.025 31.5329 -14.3345 81.8571 PRESSAVG: 3022600 -37.4456 -9.22345 56.183 -9.22348 28.5979 36.7075 56.1829 36.7075 0.032623 GPRESSAVG: 3022600 -37.1048 -11.3275 56.6716 -6.79063 28.3474 38.6709 55.2132 35.8689 -0.757234 TIMING: 3022600 CPU: 9008.16, 0.0029619/step Wall: 9008.16, 0.0029619/step, 1.62691 hours remaining, 207.308594 MB of memory in use. ENERGY: 3022600 716.2022 2090.2827 1921.0669 121.2659 -206079.2450 17623.3159 0.0000 0.0000 34166.6306 -149440.4809 298.3857 -183607.1116 -149342.8452 298.9532 0.9287 32.8131 556815.5276 -2.9384 -3.1715 PRESSURE: 3022800 -218.668 27.394 -11.413 27.3958 -131.481 -296.845 -11.4121 -296.845 -13.16 GPRESSURE: 3022800 -222.798 -4.00865 48.5367 -22.5896 -32.9186 -189.696 -42.0778 -283.995 -13.4293 PRESSAVG: 3022800 -1.97849 -22.3802 10.3863 -22.3801 3.23005 -71.2981 10.3864 -71.2981 17.6479 GPRESSAVG: 3022800 -1.83652 -19.3394 7.51963 -25.3665 2.95989 -72.2159 12.2135 -71.0552 17.7757 TIMING: 3022800 CPU: 9008.76, 0.00295993/step Wall: 9008.76, 0.00295993/step, 1.62566 hours remaining, 207.308594 MB of memory in use. ENERGY: 3022800 762.4592 2119.9037 1922.8220 117.2979 -206237.0595 17617.3201 0.0000 0.0000 34461.2247 -149236.0318 300.9584 -183697.2565 -149141.3547 299.0820 -121.1029 -89.7152 555876.3522 6.2998 6.2997 PRESSURE: 3023000 -74.9008 -50.7329 -6.88674 -50.7318 -214.881 24.9617 -6.88665 24.9612 25.7318 GPRESSURE: 3023000 8.40358 -1.8633 18.4547 -33.3083 -208.324 41.4908 -51.2342 20.7323 39.5003 PRESSAVG: 3023000 -15.5714 -47.6325 33.469 -47.6324 -26.1994 3.12003 33.469 3.12003 80.7945 GPRESSAVG: 3023000 -15.6292 -50.2302 34.1823 -44.6083 -25.6803 3.35826 32.6213 2.7471 80.1037 TIMING: 3023000 CPU: 9009.35, 0.00297232/step Wall: 9009.35, 0.00297232/step, 1.6323 hours remaining, 207.566406 MB of memory in use. ENERGY: 3023000 742.0892 2122.9922 1940.7600 116.4743 -206315.8171 17897.2223 0.0000 0.0000 34337.6279 -149158.6512 299.8790 -183496.2791 -149057.3630 299.3461 -88.0166 -53.4735 557596.3642 13.0079 12.9314 PRESSURE: 3023200 101.552 -194.404 -98.615 -194.404 220.622 57.3965 -98.6157 57.3949 -69.0601 GPRESSURE: 3023200 97.9885 -201.106 -64.4538 -129.512 250.262 100.907 -90.2439 84.6937 9.33018 PRESSAVG: 3023200 13.4403 -19.3848 -10.4063 -19.3849 10.1166 18.192 -10.4063 18.1919 -18.4625 GPRESSAVG: 3023200 12.2379 -18.0726 -10.983 -21.0823 9.81087 19.1459 -9.9929 17.4264 -16.491 TIMING: 3023200 CPU: 9009.95, 0.00297507/step Wall: 9009.95, 0.00297507/step, 1.63364 hours remaining, 207.566406 MB of memory in use. ENERGY: 3023200 743.7687 2032.4305 1909.9295 120.5029 -206296.5318 17969.9445 0.0000 0.0000 34334.2342 -149185.7216 299.8494 -183519.9558 -149093.3155 300.0566 84.3712 119.1935 556710.5424 1.6981 1.8526 PRESSURE: 3023400 31.6585 -112.751 -220.716 -112.75 -42.432 -9.03588 -220.717 -9.03514 -77.4754 GPRESSURE: 3023400 0.381597 -183.161 -224.692 -89.6912 34.6098 -97.8095 -169.782 -5.27433 -26.8633 PRESSAVG: 3023400 5.58484 -19.2913 -84.5905 -19.2913 -6.50669 32.1895 -84.5904 32.1894 -2.74613 GPRESSAVG: 3023400 6.53295 -18.5322 -82.9789 -19.2681 -5.84116 32.6183 -83.8532 33.3197 -4.07879 TIMING: 3023400 CPU: 9010.54, 0.0029704/step Wall: 9010.54, 0.0029704/step, 1.63091 hours remaining, 207.566406 MB of memory in use. ENERGY: 3023400 745.7133 2038.5191 1934.7015 100.4332 -206442.8061 17858.4029 0.0000 0.0000 34521.3441 -149243.6920 301.4835 -183765.0361 -149148.8829 299.6992 -29.4163 2.7094 558142.2761 -1.2227 -1.1290 PRESSURE: 3023600 202.627 70.1393 94.1932 70.1398 21.0514 -120.024 94.1933 -120.024 22.5379 GPRESSURE: 3023600 216.544 125.557 156.979 64.9515 45.4534 -206.733 75.6724 28.3577 81.4658 PRESSAVG: 3023600 19.7016 22.396 -47.9515 22.3959 -21.964 -5.86781 -47.9515 -5.86776 33.333 GPRESSAVG: 3023600 18.7746 21.5398 -46.7411 21.3704 -21.6221 -8.45293 -49.0622 -3.25726 34.0432 TIMING: 3023600 CPU: 9011.13, 0.00292518/step Wall: 9011.13, 0.00292518/step, 1.60592 hours remaining, 207.566406 MB of memory in use. ENERGY: 3023600 753.9237 2056.4312 1930.2068 114.8027 -206261.2156 18017.7523 0.0000 0.0000 34165.6176 -149222.4812 298.3768 -183388.0988 -149138.9566 299.2106 82.0720 114.4878 558267.0058 10.3569 10.3985 PRESSURE: 3023800 -31.5339 -1.33776 143.678 -1.33801 -118.306 -2.15498 143.677 -2.15511 148.364 GPRESSURE: 3023800 5.60091 12.5367 91.0514 16.4939 -68.704 63.6191 180.582 -98.1351 153.794 PRESSAVG: 3023800 18.542 -36.375 -52.9105 -36.375 20.3299 22.4367 -52.9105 22.4368 -36.5562 GPRESSAVG: 3023800 20.2845 -33.9172 -55.1137 -36.6016 18.8605 22.5993 -52.5168 21.023 -36.7301 TIMING: 3023800 CPU: 9011.72, 0.00296425/step Wall: 9011.72, 0.00296425/step, 1.62721 hours remaining, 207.566406 MB of memory in use. ENERGY: 3023800 741.7931 2125.2727 1920.3876 111.7740 -206495.6765 18036.9265 0.0000 0.0000 34074.2228 -149485.2998 297.5787 -183559.5226 -149394.0373 298.8684 -0.4919 30.2302 558519.9168 0.7719 0.8050 PRESSURE: 3024000 93.8179 133.468 31.2986 133.468 157.396 -52.8104 31.2983 -52.8118 199.541 GPRESSURE: 3024000 151.596 31.0921 6.32285 142.341 145.09 -36.0565 41.6143 -52.4391 237.538 PRESSAVG: 3024000 -64.6634 -11.0094 28.3486 -11.0094 56.3389 -31.5467 28.3486 -31.5467 -42.3153 GPRESSAVG: 3024000 -64.6023 -13.8671 27.6709 -8.85947 57.039 -30.8248 28.3867 -30.942 -43.0366 TIMING: 3024000 CPU: 9012.31, 0.00297871/step Wall: 9012.31, 0.00297871/step, 1.63498 hours remaining, 207.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3024000 771.2671 2150.4019 1918.1319 129.6551 -206611.6091 18252.4770 0.0000 0.0000 33934.0764 -149455.5998 296.3547 -183389.6761 -149363.8445 298.2847 150.2517 178.0748 557742.5669 -16.8799 -16.8666 PRESSURE: 3024200 142.553 -0.693089 -123.896 -0.693489 216.459 -86.1744 -123.896 -86.1745 -43.1808 GPRESSURE: 3024200 160.796 40.1411 -169.774 53.8384 254.759 -93.3562 -84.534 13.8542 -11.3326 PRESSAVG: 3024200 12.6999 -2.19046 -6.57758 -2.19053 -43.7268 8.82432 -6.57749 8.82433 4.61965 GPRESSAVG: 3024200 11.4498 -1.44813 -6.10354 -3.46904 -43.8928 8.17342 -7.82975 7.91119 6.00174 TIMING: 3024200 CPU: 9012.9, 0.00294513/step Wall: 9012.9, 0.00294513/step, 1.61638 hours remaining, 207.566406 MB of memory in use. ENERGY: 3024200 716.3101 2123.2976 1948.3556 119.8038 -206637.0468 17989.6247 0.0000 0.0000 34382.4051 -149357.2499 300.2701 -183739.6550 -149263.3142 298.6646 105.2771 134.7407 559104.6987 -8.8024 -8.8138 LDB: ============= START OF LOAD BALANCING ============== 9016.45 LDB: ============== END OF LOAD BALANCING =============== 9016.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9016.45 LDB: ============= START OF LOAD BALANCING ============== 9016.75 LDB: Largest compute 4773 load 0.026570 is 22.5% of average load 0.118185 LDB: Average compute 0.001739 is 1.5% of average load 0.118185 LDB: TIME 9016.75 LOAD: AVG 0.118185 MAX 0.198837 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.105 MB LDB: TIME 9016.75 LOAD: AVG 0.118185 MAX 0.198837 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.312 MB LDB: TIME 9016.75 LOAD: AVG 0.118185 MAX 0.198837 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.312 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9016.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9016.76 PRESSURE: 3024400 -26.03 15.6814 26.5883 15.682 17.498 -9.55231 26.5894 -9.55266 -279.67 GPRESSURE: 3024400 34.7681 22.3214 81.8117 -69.6377 24.6751 56.4657 -20.9998 7.10091 -239.536 PRESSAVG: 3024400 64.0431 -15.5072 3.27222 -15.5072 42.6944 -42.0824 3.27221 -42.0825 -98.5267 GPRESSAVG: 3024400 64.638 -16.5759 5.94242 -14.4038 43.6866 -43.0681 3.62601 -39.9475 -99.9981 TIMING: 3024400 CPU: 9013.51, 0.00301929/step Wall: 9013.51, 0.00301929/step, 1.65692 hours remaining, 206.593750 MB of memory in use. ENERGY: 3024400 758.8319 2074.3814 1961.9665 100.5182 -205902.2210 17603.7470 0.0000 0.0000 34235.9779 -149166.7981 298.9913 -183402.7760 -149068.1042 299.4088 -96.0673 -60.0309 558949.4081 2.7369 2.7755 PRESSURE: 3024600 71.6513 -9.88897 112.029 -9.8891 15.2291 29.4639 112.029 29.4628 -118.497 GPRESSURE: 3024600 47.9102 45.9607 162.62 22.1193 96.1008 76.8371 133.247 7.98606 -71.8007 PRESSAVG: 3024600 9.14728 -19.7237 13.5386 -19.7235 0.766774 14.3278 13.5386 14.3279 -61.081 GPRESSAVG: 3024600 9.64097 -18.1348 11.2029 -20.4114 -0.485261 15.4256 14.852 12.9158 -60.409 TIMING: 3024600 CPU: 9014.1, 0.00297183/step Wall: 9014.1, 0.00297183/step, 1.63071 hours remaining, 206.792969 MB of memory in use. ENERGY: 3024600 777.5953 2090.5115 1907.3962 109.9797 -206050.0146 17749.6714 0.0000 0.0000 34295.3900 -149119.4705 299.5102 -183414.8605 -149023.6187 298.9801 -10.5389 24.0701 559930.5629 -17.0556 -17.0844 PRESSURE: 3024800 -223.55 38.0041 53.36 38.004 18.0328 -66.2675 53.3598 -66.2677 -215.572 GPRESSURE: 3024800 -191.499 -25.8799 -15.3775 107.13 52.512 -48.5858 55.0029 -67.2704 -194.372 PRESSAVG: 3024800 -3.94244 -32.3448 38.1584 -32.3448 19.6564 -15.7229 38.1584 -15.7229 1.90121 GPRESSAVG: 3024800 -4.16578 -33.6839 37.9798 -30.7176 19.4047 -13.4232 37.3449 -17.3939 2.53233 TIMING: 3024800 CPU: 9014.69, 0.00296695/step Wall: 9014.69, 0.00296695/step, 1.62786 hours remaining, 206.792969 MB of memory in use. ENERGY: 3024800 775.1102 2084.9540 1948.1407 106.1664 -205970.5676 17562.9638 0.0000 0.0000 34313.6950 -149179.5375 299.6700 -183493.2325 -149078.2005 298.9803 -140.3632 -111.1197 558396.7311 5.8717 5.9237 PRESSURE: 3025000 251.405 3.35876 85.9745 3.35844 -8.87324 153.725 85.9731 153.725 -106.133 GPRESSURE: 3025000 320.591 -2.77286 44.1834 36.9464 6.29295 142.682 10.315 174.701 -82.3593 PRESSAVG: 3025000 -0.01641 20.5428 31.8303 20.5428 19.4888 37.1813 31.8303 37.1813 7.70676 GPRESSAVG: 3025000 0.671614 21.6342 33.442 17.6023 20.0926 37.4033 31.3326 36.7677 6.3321 TIMING: 3025000 CPU: 9015.28, 0.00294668/step Wall: 9015.28, 0.00294668/step, 1.61658 hours remaining, 206.792969 MB of memory in use. ENERGY: 3025000 741.6947 2149.5084 1965.4716 115.1243 -206392.6639 18020.8551 0.0000 0.0000 34132.0124 -149267.9973 298.0834 -183400.0098 -149177.0878 298.4011 45.4661 81.5081 557513.6086 9.0597 9.0321 PRESSURE: 3025200 -23.1248 -25.282 -135.842 -25.2796 -94.8844 122.667 -135.841 122.666 222.473 GPRESSURE: 3025200 -13.9472 -31.5852 -166.923 -23.3697 -38.5131 132.025 -50.3054 95.7833 253.688 PRESSAVG: 3025200 32.2621 47.2456 -5.50417 47.2457 -25.1418 15.0824 -5.50419 15.0823 -4.90816 GPRESSAVG: 3025200 30.5511 49.4668 -7.35011 48.1641 -25.028 11.5283 -4.8779 19.3016 -3.76133 TIMING: 3025200 CPU: 9015.87, 0.00293965/step Wall: 9015.87, 0.00293965/step, 1.61256 hours remaining, 206.792969 MB of memory in use. ENERGY: 3025200 705.0181 2098.8014 1983.1903 109.3697 -206311.1382 17838.1740 0.0000 0.0000 34348.9685 -149227.6163 299.9781 -183576.5848 -149134.8077 298.7646 34.8213 67.0760 556163.9268 0.7374 0.5873 PRESSURE: 3025400 214.804 -87.632 62.4314 -87.6314 -54.9223 151.225 62.4301 151.226 -44.1185 GPRESSURE: 3025400 251.181 -51.8071 46.5148 -62.8776 -33.3977 179.208 -3.08187 68.6287 -9.66762 PRESSAVG: 3025400 -16.8733 -54.441 1.41283 -54.441 -21.3793 26.2425 1.41278 26.2425 40.2817 GPRESSAVG: 3025400 -15.8655 -56.0702 2.40965 -52.9704 -21.8852 28.0629 2.69559 22.5033 39.76 TIMING: 3025400 CPU: 9016.46, 0.00291587/step Wall: 9016.46, 0.00291587/step, 1.59935 hours remaining, 206.792969 MB of memory in use. ENERGY: 3025400 756.7930 2101.6403 1954.7649 110.6482 -206475.1206 17933.8222 0.0000 0.0000 34393.6914 -149223.7606 300.3687 -183617.4520 -149137.8892 299.1825 38.5876 69.3720 556834.9776 0.6764 0.6697 PRESSURE: 3025600 76.9539 77.3894 -28.2739 77.3891 -113.552 -73.0184 -28.2748 -73.0181 -92.6848 GPRESSURE: 3025600 47.5352 39.7781 68.5849 -50.1646 -0.0440613 -145.757 -49.1919 -52.7793 -80.458 PRESSAVG: 3025600 86.2316 37.0686 14.3845 37.0685 -67.683 0.69817 14.3844 0.69822 -53.6918 GPRESSAVG: 3025600 85.4075 36.55 15.0054 34.5795 -66.5813 0.339601 12.9717 1.04644 -53.7391 TIMING: 3025600 CPU: 9017.05, 0.00296002/step Wall: 9017.05, 0.00296002/step, 1.6234 hours remaining, 206.792969 MB of memory in use. ENERGY: 3025600 730.1891 2124.2873 1905.0912 106.2826 -206098.8592 17771.3410 0.0000 0.0000 34296.3921 -149165.2760 299.5189 -183461.6681 -149065.0204 299.2975 -43.0943 -10.9890 558193.9375 -11.7144 -11.6377 PRESSURE: 3025800 -49.12 -197.121 -141.364 -197.119 -46.8952 21.8126 -141.364 21.8124 209.394 GPRESSURE: 3025800 -45.5606 -226.085 -92.8985 -148.554 33.874 11.8855 -166.384 -52.034 218.263 PRESSAVG: 3025800 26.6833 7.81854 15.1388 7.81864 -15.013 -35.6573 15.1388 -35.6572 3.52438 GPRESSAVG: 3025800 26.0618 8.45001 15.8388 8.88865 -15.5909 -38.3046 15.3558 -33.4439 4.90742 TIMING: 3025800 CPU: 9017.64, 0.00296309/step Wall: 9017.64, 0.00296309/step, 1.62492 hours remaining, 206.792969 MB of memory in use. ENERGY: 3025800 774.3084 2061.7876 1949.5487 111.0461 -206253.4780 18013.7134 0.0000 0.0000 34145.3061 -149197.7676 298.1995 -183343.0737 -149101.2711 298.8941 37.7931 68.8589 558726.9588 5.0649 5.1261 PRESSURE: 3026000 123.273 -183.797 -53.0003 -183.797 -210.409 58.6901 -53.0004 58.6901 -406.119 GPRESSURE: 3026000 167.819 -128.947 -15.9759 -249.928 -183.397 61.6203 -91.0209 45.7452 -366.959 PRESSAVG: 3026000 67.0037 -28.9097 4.49104 -28.9097 -22.8304 -35.0294 4.49103 -35.0294 -35.5799 GPRESSAVG: 3026000 67.5512 -29.8121 2.69245 -27.5663 -22.1107 -30.3185 5.21635 -37.1679 -36.7615 TIMING: 3026000 CPU: 9018.24, 0.00298641/step Wall: 9018.24, 0.00298641/step, 1.63755 hours remaining, 206.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3026000 741.8590 2111.5390 1957.9831 122.2124 -205900.5227 17565.4948 0.0000 0.0000 34242.1587 -149159.2757 299.0453 -183401.4344 -149058.4867 299.7718 -164.4185 -127.5125 559206.8808 2.8645 2.8930 PRESSURE: 3026200 149.198 -236.526 47.4015 -236.526 179.314 -1.69602 47.4031 -1.69422 144.878 GPRESSURE: 3026200 163.76 -257.494 86.6113 -132.056 234.664 -88.8292 -5.32298 -23.6545 159.919 PRESSAVG: 3026200 61.2844 -9.68304 -16.6854 -9.68313 9.32134 -44.5871 -16.6853 -44.5871 -62.9381 GPRESSAVG: 3026200 61.9319 -10.7847 -15.9701 -10.6961 9.03475 -46.3559 -19.8333 -43.9268 -63.5381 TIMING: 3026200 CPU: 9018.83, 0.00294466/step Wall: 9018.83, 0.00294466/step, 1.61449 hours remaining, 206.792969 MB of memory in use. ENERGY: 3026200 751.8085 2075.3782 1930.3787 109.9067 -206527.6087 18120.4801 0.0000 0.0000 34346.1405 -149193.5159 299.9534 -183539.6565 -149103.2428 299.3764 157.7966 186.1146 556970.7547 2.5559 2.4762 PRESSURE: 3026400 -133.762 -116.281 26.2235 -116.281 -483.369 -50.0598 26.224 -50.061 -107.088 GPRESSURE: 3026400 -135.427 -185.297 49.1875 -138.223 -424.98 -12.9775 -34.5359 -78.4835 -75.2048 PRESSAVG: 3026400 83.5516 -12.7633 38.4929 -12.7634 -23.122 -60.6037 38.4929 -60.6036 -11.5979 GPRESSAVG: 3026400 83.2317 -11.1281 38.6302 -13.007 -24.0286 -60.6777 40.9672 -59.9696 -10.7776 TIMING: 3026400 CPU: 9019.41, 0.0029334/step Wall: 9019.41, 0.0029334/step, 1.60815 hours remaining, 206.792969 MB of memory in use. ENERGY: 3026400 777.6516 2136.6894 1909.7850 117.6722 -205875.6505 17392.6092 0.0000 0.0000 34497.1190 -149044.1242 301.2719 -183541.2432 -148946.8920 299.6667 -241.4061 -211.8704 557761.9736 16.2772 16.1418 PRESSURE: 3026600 -103.057 -55.8075 -11.3463 -55.8077 31.8928 -107.223 -11.3463 -107.223 39.2513 GPRESSURE: 3026600 -93.2433 -63.3178 70.3216 -51.0631 96.3692 -20.6059 -65.462 -205.061 68.1651 PRESSAVG: 3026600 -7.07452 -28.2881 -4.89975 -28.2881 25.0857 51.2599 -4.89968 51.2599 3.71487 GPRESSAVG: 3026600 -5.5745 -29.6738 -5.81986 -28.0166 24.2001 51.831 -3.96943 51.4996 2.77153 TIMING: 3026600 CPU: 9020.01, 0.00298619/step Wall: 9020.01, 0.00298619/step, 1.63693 hours remaining, 206.792969 MB of memory in use. ENERGY: 3026600 737.1605 2109.0066 1962.3326 125.2397 -206049.5481 17708.0288 0.0000 0.0000 34408.8298 -148998.9501 300.5009 -183407.7799 -148904.2279 300.2882 -10.6378 23.7637 557228.8223 7.2420 7.1324 PRESSURE: 3026800 -19.8895 18.6793 78.4708 18.6789 219.512 39.4069 78.4693 39.4051 -190.279 GPRESSURE: 3026800 16.8525 15.0367 61.4935 110.812 226.424 -21.9924 30.037 134.664 -159.175 PRESSAVG: 3026800 -37.8522 20.9454 -17.6583 20.9454 67.5456 4.13706 -17.6583 4.13701 -33.2366 GPRESSAVG: 3026800 -39.1558 21.5802 -17.2935 24.5989 67.6507 4.49277 -19.3672 4.06367 -32.1048 TIMING: 3026800 CPU: 9020.6, 0.00295875/step Wall: 9020.6, 0.00295875/step, 1.62173 hours remaining, 206.792969 MB of memory in use. ENERGY: 3026800 763.6481 2110.1708 1947.5211 122.6550 -206197.2063 17838.4238 0.0000 0.0000 34376.6541 -149038.1334 300.2199 -183414.7875 -148943.8624 300.3061 3.1143 28.0339 556880.9339 -1.1810 -1.2033 PRESSURE: 3027000 -127.474 7.88218 1.01767 7.88196 -46.5615 18.3683 1.01746 18.3681 -77.2044 GPRESSURE: 3027000 -95.6093 -50.1806 -54.3052 51.1075 2.77845 15.6345 62.6589 0.0787661 -59.5404 PRESSAVG: 3027000 -69.335 -39.2406 -37.5782 -39.2406 69.5213 -20.8086 -37.5782 -20.8087 8.15228 GPRESSAVG: 3027000 -69.7284 -39.9341 -37.9202 -40.9562 70.0144 -20.3321 -35.4222 -21.4961 8.41326 TIMING: 3027000 CPU: 9021.19, 0.00294333/step Wall: 9021.19, 0.00294333/step, 1.61311 hours remaining, 206.792969 MB of memory in use. ENERGY: 3027000 755.8435 2123.0885 1928.5991 114.2654 -205934.2264 17747.1880 0.0000 0.0000 34245.9963 -149019.2456 299.0788 -183265.2419 -148922.9940 299.6905 -83.7467 -50.7904 557901.3891 2.7795 2.8997 PRESSURE: 3027200 271.141 35.7272 34.6062 35.7268 299.647 -128.561 34.6078 -128.56 219.271 GPRESSURE: 3027200 228.371 36.9168 62.8586 44.7773 342.071 -72.1155 39.7692 -233.015 316.13 PRESSAVG: 3027200 -86.3773 -12.1621 10.0283 -12.162 17.3678 8.52454 10.0283 8.52456 25.3293 GPRESSAVG: 3027200 -86.8647 -11.9752 9.58605 -14.549 17.7863 8.37093 9.25569 8.40482 25.298 TIMING: 3027200 CPU: 9021.78, 0.00294477/step Wall: 9021.78, 0.00294477/step, 1.61373 hours remaining, 206.792969 MB of memory in use. ENERGY: 3027200 703.6700 2171.0146 1942.5255 115.5829 -206385.4885 18216.4681 0.0000 0.0000 34328.6611 -148907.5664 299.8007 -183236.2275 -148816.1993 300.1294 263.3533 295.5242 557358.8628 -14.5601 -14.5935 PRESSURE: 3027400 92.0593 -79.7405 87.7929 -79.7412 36.3964 -110.386 87.7927 -110.387 60.6969 GPRESSURE: 3027400 142.116 -141.426 52.1853 13.5021 62.5628 -139.34 76.9502 94.3506 80.4546 PRESSAVG: 3027400 22.265 16.2442 21.0917 16.2442 -29.6344 -23.6302 21.0917 -23.6302 16.6575 GPRESSAVG: 3027400 21.8848 17.3566 21.8618 17.4958 -29.5235 -23.883 21.1254 -23.1572 16.8688 TIMING: 3027400 CPU: 9022.37, 0.00294161/step Wall: 9022.37, 0.00294161/step, 1.61184 hours remaining, 206.792969 MB of memory in use. ENERGY: 3027400 715.9729 2118.8223 1932.3197 105.6377 -206228.3039 17848.3780 0.0000 0.0000 34766.1082 -148741.0650 303.6211 -183507.1732 -148641.9272 301.3785 63.0509 95.0444 557607.5447 3.0960 3.0767 PRESSURE: 3027600 -129.749 -121.935 19.4749 -121.934 -135.866 37.192 19.4765 37.1907 -393.617 GPRESSURE: 3027600 -144.257 -119.793 58.2503 -142.842 -79.5683 81.493 9.81572 78.7501 -333.58 PRESSAVG: 3027600 3.03643 8.45203 80.9422 8.45199 1.41519 32.7554 80.9424 32.7554 10.5135 GPRESSAVG: 3027600 3.02818 5.47085 80.6249 8.7757 0.889779 31.9493 80.7919 33.2604 10.7586 TIMING: 3027600 CPU: 9022.96, 0.00295042/step Wall: 9022.96, 0.00295041/step, 1.6165 hours remaining, 206.792969 MB of memory in use. ENERGY: 3027600 786.7254 2097.4854 1925.8731 118.1560 -205595.7466 17368.4626 0.0000 0.0000 34419.1252 -148879.9189 300.5908 -183299.0441 -148781.1759 300.5580 -219.7442 -185.8017 558175.7504 4.9884 4.8922 PRESSURE: 3027800 -92.9966 -253.579 142.556 -253.58 201.172 -192.798 142.556 -192.797 51.2523 GPRESSURE: 3027800 -46.8154 -322.597 180.394 -355.664 194.281 -204.818 170.952 -144.783 115.029 PRESSAVG: 3027800 -30.0814 -31.4974 47.8398 -31.4973 -27.8622 39.1134 47.8398 39.1133 50.2147 GPRESSAVG: 3027800 -29.4895 -28.1032 49.7535 -34.8549 -27.6343 40.5791 47.9034 38.7514 49.9404 TIMING: 3027800 CPU: 9023.55, 0.00295001/step Wall: 9023.55, 0.00295001/step, 1.61611 hours remaining, 206.792969 MB of memory in use. ENERGY: 3027800 752.8101 2081.5429 1960.8408 118.6246 -206147.7195 17947.5329 0.0000 0.0000 34447.6733 -148838.6949 300.8401 -183286.3682 -148744.0280 300.4492 53.1426 87.4983 557363.6883 -2.5763 -2.3945 PRESSURE: 3028000 265.786 -56.6152 -145.475 -56.6171 -26.0592 -59.7627 -145.475 -59.7623 185.739 GPRESSURE: 3028000 314.201 -6.03917 -187.78 -117.582 -12.9342 -51.7848 -48.7416 -153.13 234.805 PRESSAVG: 3028000 1.6534 33.8899 63.4992 33.8898 47.9155 -28.6298 63.499 -28.6298 -23.6145 GPRESSAVG: 3028000 0.770949 30.6577 63.1465 35.8206 48.2275 -29.9689 63.2092 -27.8437 -23.1028 TIMING: 3028000 CPU: 9024.13, 0.00292387/step Wall: 9024.13, 0.00292387/step, 1.60163 hours remaining, 206.792969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3028000 749.4375 2124.2256 1962.4006 121.3820 -206403.8373 18094.5241 0.0000 0.0000 34467.2523 -148884.6151 301.0111 -183351.8674 -148787.8605 301.0468 141.8219 178.6909 557969.5207 8.6515 8.6319 PRESSURE: 3028200 -158.99 27.7964 93.933 27.7979 -230.64 -98.3164 93.9341 -98.3164 -277.854 GPRESSURE: 3028200 -149.922 11.3794 113.054 62.5814 -188.214 -41.8875 35.3886 -60.2667 -223.154 PRESSAVG: 3028200 37.3289 0.674753 -18.9183 0.674806 -17.9058 -18.4097 -18.9184 -18.4097 -47.1064 GPRESSAVG: 3028200 36.8552 1.18981 -21.1742 0.620353 -17.1166 -15.1013 -19.3012 -20.3943 -47.5461 TIMING: 3028200 CPU: 9024.72, 0.00293424/step Wall: 9024.72, 0.00293424/step, 1.60715 hours remaining, 206.792969 MB of memory in use. ENERGY: 3028200 768.3765 2092.1878 1919.9782 129.0030 -205683.5915 17538.3799 0.0000 0.0000 34336.1429 -148899.5231 299.8661 -183235.6660 -148804.4080 300.7056 -222.4947 -187.0965 559132.4405 -9.2278 -9.2692 LDB: ============= START OF LOAD BALANCING ============== 9028.26 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9028.26 LDB: =============== DONE WITH MIGRATION ================ 9028.27 LDB: ============= START OF LOAD BALANCING ============== 9028.56 LDB: Largest compute 4773 load 0.026896 is 22.7% of average load 0.118287 LDB: Average compute 0.001728 is 1.5% of average load 0.118287 LDB: TIME 9028.56 LOAD: AVG 0.118287 MAX 0.198493 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.105 MB LDB: TIME 9028.56 LOAD: AVG 0.118287 MAX 0.198493 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.309 MB LDB: TIME 9028.56 LOAD: AVG 0.118287 MAX 0.198493 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.309 MB LDB: ============== END OF LOAD BALANCING =============== 9028.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9028.57 PRESSURE: 3028400 -15.5009 -113.456 48.7666 -113.454 -231.011 6.1178 48.7671 6.1171 125.505 GPRESSURE: 3028400 19.3742 -103.608 76.4463 -115.74 -189.648 -92.6875 -50.9559 61.8854 140.846 PRESSAVG: 3028400 -38.1285 -28.2389 -0.76723 -28.2389 15.555 -8.77598 -0.767251 -8.77595 26.1011 GPRESSAVG: 3028400 -37.1408 -27.5096 -0.761607 -26.8739 14.7321 -12.6672 -0.10222 -9.27551 25.779 TIMING: 3028400 CPU: 9025.32, 0.00299721/step Wall: 9025.32, 0.00299721/step, 1.64147 hours remaining, 206.082031 MB of memory in use. ENERGY: 3028400 737.5218 2131.4388 1907.6093 98.2162 -205780.8221 17646.5742 0.0000 0.0000 34545.6843 -148713.7776 301.6961 -183259.4619 -148619.2296 300.2911 -40.3356 -9.8092 557598.1231 1.1759 1.1234 PRESSURE: 3028600 -235.842 105.513 98.9186 105.514 -152.125 22.8723 98.9173 22.8719 98.7687 GPRESSURE: 3028600 -116.044 101.226 40.3155 134.357 -189.956 -21.312 105.081 119.138 98.9723 PRESSAVG: 3028600 19.0146 -44.8308 14.1584 -44.8308 -27.6319 7.67419 14.1583 7.6741 -4.49541 GPRESSAVG: 3028600 18.2896 -44.9677 15.6091 -44.8192 -28.5355 9.95953 13.0418 7.26825 -2.9235 TIMING: 3028600 CPU: 9025.9, 0.00292304/step Wall: 9025.9, 0.00292304/step, 1.60069 hours remaining, 206.082031 MB of memory in use. ENERGY: 3028600 818.1847 2024.6567 1921.1083 121.5474 -205992.7893 17928.6973 0.0000 0.0000 34398.1265 -148780.4684 300.4074 -183178.5950 -148682.4307 300.2997 -96.3996 -69.0091 558932.4563 -4.3709 -4.3898 PRESSURE: 3028800 201.662 13.9614 -63.0943 13.9623 -142.261 -82.8362 -63.0931 -82.836 -103.73 GPRESSURE: 3028800 230.665 6.43847 -168.764 -42.3888 -122.439 -135.059 -43.8935 51.2643 -59.4978 PRESSAVG: 3028800 -1.03695 -27.5657 36.0189 -27.5658 -40.618 35.6985 36.019 35.6985 5.50697 GPRESSAVG: 3028800 -0.987851 -26.8193 33.4359 -30.5697 -40.5324 35.1877 37.7713 38.1435 5.74861 TIMING: 3028800 CPU: 9026.49, 0.00295592/step Wall: 9026.49, 0.00295592/step, 1.61853 hours remaining, 206.082031 MB of memory in use. ENERGY: 3028800 696.2842 2033.3285 1939.9438 127.3419 -205818.4832 17726.0721 0.0000 0.0000 34441.9555 -148853.5572 300.7902 -183295.5127 -148758.1163 300.1621 -14.7760 16.2427 560060.9619 -12.0493 -11.9239 PRESSURE: 3029000 -210.377 203.982 -77.5089 203.982 25.2994 -147.599 -77.5107 -147.599 -246.679 GPRESSURE: 3029000 -234.625 230.012 -38.7448 183.005 103.194 -121.006 -9.39998 -192.901 -206.997 PRESSAVG: 3029000 37.0669 7.83162 -31.0064 7.83162 -30.7088 -35.3093 -31.0064 -35.3092 29.4786 GPRESSAVG: 3029000 38.4754 5.88394 -28.8599 9.78753 -30.6937 -38.0173 -31.5621 -35.1386 28.8577 TIMING: 3029000 CPU: 9027.08, 0.00294059/step Wall: 9027.08, 0.00294059/step, 1.60997 hours remaining, 206.082031 MB of memory in use. ENERGY: 3029000 737.8800 2056.5291 1941.0090 119.8353 -205720.9539 17652.4758 0.0000 0.0000 34192.2337 -149020.9910 298.6093 -183213.2247 -148925.5324 300.2387 -143.9187 -112.8092 560001.7888 11.9456 12.2131 PRESSURE: 3029200 -142.877 -8.55934 145.157 -8.56105 -37.2441 -178.4 145.155 -178.4 304.669 GPRESSURE: 3029200 -89.211 -29.1897 40.768 0.246506 17.2158 -168.235 216.086 -256.529 294.168 PRESSAVG: 3029200 4.32557 5.78022 -10.3594 5.78025 58.028 31.7619 -10.3595 31.762 -66.335 GPRESSAVG: 3029200 3.91414 5.81092 -10.9218 5.41838 58.6388 32.924 -10.0596 30.377 -66.6168 TIMING: 3029200 CPU: 9027.68, 0.00297049/step Wall: 9027.68, 0.00297049/step, 1.62618 hours remaining, 206.082031 MB of memory in use. ENERGY: 3029200 767.0835 2080.6597 1925.8825 110.5388 -206070.3973 17945.9613 0.0000 0.0000 34265.6070 -148974.6645 299.2501 -183240.2715 -148877.7160 299.6522 41.5161 74.0575 558378.4495 -1.3271 -1.3546 PRESSURE: 3029400 -173.028 22.6343 -46.7784 22.6348 -328.415 -11.6404 -46.779 -11.642 -260.551 GPRESSURE: 3029400 -166.608 -47.0303 -45.9621 79.4115 -251.124 -37.8291 -81.6656 -30.6408 -259.524 PRESSAVG: 3029400 55.6118 -24.8105 0.580144 -24.8105 -29.8911 5.25256 0.580093 5.25264 18.9481 GPRESSAVG: 3029400 53.8539 -24.184 1.17508 -24.3276 -28.8839 3.74886 -0.0667437 9.25853 19.7648 TIMING: 3029400 CPU: 9028.27, 0.00296452/step Wall: 9028.27, 0.00296452/step, 1.62274 hours remaining, 206.082031 MB of memory in use. ENERGY: 3029400 741.1389 2103.6049 1937.6609 120.9389 -205463.5658 17383.5267 0.0000 0.0000 34185.8679 -148990.8274 298.5537 -183176.6953 -148890.6515 299.5121 -253.9982 -225.7519 560063.2702 14.8896 14.9116 PRESSURE: 3029600 -174.166 -58.7845 -130.978 -58.7854 -155.823 -94.5472 -130.978 -94.5473 -57.0456 GPRESSURE: 3029600 -105.008 -15.903 -110.34 -74.1846 -154.378 -136.206 -62.8393 -58.8186 -35.3956 PRESSAVG: 3029600 -60.9212 -15.8358 -42.3051 -15.8358 -16.3899 -6.00463 -42.305 -6.00466 63.9578 GPRESSAVG: 3029600 -60.4742 -16.6024 -42.4324 -16.7455 -15.9062 -2.81539 -43.0965 -10.0747 63.0691 TIMING: 3029600 CPU: 9028.86, 0.00296763/step Wall: 9028.86, 0.00296763/step, 1.62429 hours remaining, 206.082031 MB of memory in use. ENERGY: 3029600 727.6442 2094.9419 1934.2430 104.4862 -205819.6420 17503.6843 0.0000 0.0000 34435.3495 -149019.2928 300.7325 -183454.6423 -148924.9048 299.5480 -129.0116 -98.2607 558316.3465 -4.4511 -4.4371 PRESSURE: 3029800 389.711 -91.0359 -142.514 -91.0358 82.8146 -40.8886 -142.513 -40.8888 -115.518 GPRESSURE: 3029800 388.697 -133.582 -153.215 -93.0798 154.611 -18.4835 -113.68 -73.1033 -91.0576 PRESSAVG: 3029800 33.4478 7.53061 -6.59135 7.53051 -33.0404 -45.9238 -6.59134 -45.9238 -3.61507 GPRESSAVG: 3029800 34.7903 9.255 -6.99087 7.72923 -34.1684 -47.7916 -3.62569 -45.905 -4.14731 TIMING: 3029800 CPU: 9029.45, 0.00294892/step Wall: 9029.45, 0.00294892/step, 1.61388 hours remaining, 206.082031 MB of memory in use. ENERGY: 3029800 747.9845 2080.4208 1919.3806 126.0906 -206205.7445 17949.4223 0.0000 0.0000 34370.9297 -149011.5160 300.1699 -183382.4456 -148914.4718 299.9334 119.0025 150.7500 556137.0654 -1.0692 -1.1751 PRESSURE: 3030000 -20.4459 36.1918 -94.9318 36.1919 -176.597 271.307 -94.9314 271.307 -30.3294 GPRESSURE: 3030000 30.3156 -5.22201 -39.8285 -15.5088 -189.694 280.314 -158.283 234.673 23.9338 PRESSAVG: 3030000 -48.8099 6.05949 -49.9459 6.0595 -4.14211 48.6619 -49.9458 48.6619 38.8388 GPRESSAVG: 3030000 -50.1384 6.67056 -49.1211 5.02212 -3.91089 49.0642 -51.6246 48.5819 39.8018 TIMING: 3030000 CPU: 9030.04, 0.00295508/step Wall: 9030.04, 0.00295508/step, 1.61709 hours remaining, 206.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3030000 743.5206 2124.9467 1904.7108 113.1858 -205799.1169 17630.7926 0.0000 0.0000 34146.5034 -149135.4570 298.2099 -183281.9604 -149038.3418 299.4709 -75.7908 -45.1482 556965.6147 -4.7044 -4.7492 PRESSURE: 3030200 -31.1007 -119.05 0.25694 -119.05 -9.00044 -97.7934 0.255508 -97.7952 -78.7534 GPRESSURE: 3030200 5.99444 -122.127 12.3957 -161.466 19.6621 -74.0944 104.391 -153.947 -38.3509 PRESSAVG: 3030200 25.2288 9.78974 11.573 9.7898 10.748 26.5884 11.573 26.5884 -37.0098 GPRESSAVG: 3030200 26.4667 9.77135 10.3885 8.12215 11.3274 28.475 12.2061 25.5617 -38.5406 TIMING: 3030200 CPU: 9030.63, 0.00294016/step Wall: 9030.63, 0.00294016/step, 1.60876 hours remaining, 206.082031 MB of memory in use. ENERGY: 3030200 728.3253 2078.1564 1933.7684 109.2470 -206232.9718 17680.3105 0.0000 0.0000 34380.5353 -149322.6291 300.2538 -183703.1644 -149230.8821 300.0178 -39.6182 -4.2314 557407.3513 -0.3443 -0.2488 PRESSURE: 3030400 -33.9521 -31.5947 -82.5821 -31.5936 -107.411 37.6882 -82.5815 37.6869 -418.421 GPRESSURE: 3030400 -13.0261 -9.09142 -37.4189 -58.1692 -90.0798 22.6167 -129.864 -36.3394 -353.936 PRESSAVG: 3030400 21.9704 -19.4877 3.15027 -19.4876 -19.9768 0.599 3.1502 0.599068 -5.88927 GPRESSAVG: 3030400 21.5029 -21.1527 3.80861 -16.7322 -20.5049 -0.832962 3.46503 1.83073 -4.54446 TIMING: 3030400 CPU: 9031.22, 0.00295074/step Wall: 9031.22, 0.00295074/step, 1.61438 hours remaining, 206.082031 MB of memory in use. ENERGY: 3030400 765.8380 2069.5967 1940.3900 109.6353 -206070.0557 17541.1080 0.0000 0.0000 34261.0243 -149382.4634 299.2100 -183643.4877 -149289.4888 298.8099 -186.5946 -152.3473 557304.4214 -1.2986 -1.1822 PRESSURE: 3030600 79.2938 -131.14 13.2265 -131.14 -67.1068 17.9334 13.2263 17.9344 98.5555 GPRESSURE: 3030600 162.583 -141.8 3.37565 -245.639 -52.1985 32.69 29.4193 21.5692 81.1972 PRESSAVG: 3030600 53.9927 -50.7745 12.6002 -50.7746 -47.4922 -7.58546 12.6001 -7.58544 2.76557 GPRESSAVG: 3030600 54.6308 -49.5851 12.7337 -50.8093 -47.7386 -6.47377 13.0387 -7.71369 2.29172 TIMING: 3030600 CPU: 9031.81, 0.00295567/step Wall: 9031.81, 0.00295567/step, 1.61692 hours remaining, 206.117188 MB of memory in use. ENERGY: 3030600 766.3172 2045.2955 1921.2966 93.5278 -206137.0607 17839.3770 0.0000 0.0000 34108.4501 -149362.7965 297.8776 -183471.2466 -149270.3187 298.0889 36.9142 63.8607 558010.5138 3.0887 3.0613 PRESSURE: 3030800 96.4772 128.005 -171.216 128.005 -136.656 -7.86508 -171.216 -7.86514 93.9428 GPRESSURE: 3030800 150.891 180.508 -73.1314 176.029 -94.2356 -24.2417 -272.161 21.1159 95.8522 PRESSAVG: 3030800 58.5633 -14.8569 -16.1916 -14.8569 -32.2923 25.1411 -16.1917 25.1411 -33.7906 GPRESSAVG: 3030800 58.803 -15.7745 -15.8702 -14.1603 -31.9822 24.9233 -17.4886 25.6145 -34.3729 TIMING: 3030800 CPU: 9032.4, 0.00294518/step Wall: 9032.4, 0.00294518/step, 1.61101 hours remaining, 206.117188 MB of memory in use. ENERGY: 3030800 752.3234 2120.6771 1937.4138 110.1747 -206433.4726 17848.9458 0.0000 0.0000 34219.3816 -149444.5561 298.8464 -183663.9377 -149349.0581 299.2382 17.9214 50.8360 558028.3825 -2.5066 -2.5174 PRESSURE: 3031000 114.598 -93.8149 150.087 -93.8144 -67.6659 35.6142 150.087 35.6139 -84.1908 GPRESSURE: 3031000 243.19 -109.541 140.191 -69.0773 -97.8312 -5.19558 123.788 19.2295 -84.7993 PRESSAVG: 3031000 97.632 14.6043 -20.8082 14.6043 -32.0975 -20.7219 -20.808 -20.722 -24.0674 GPRESSAVG: 3031000 97.2684 14.2352 -23.6606 14.1182 -31.7391 -19.3547 -20.2341 -22.1778 -23.6473 TIMING: 3031000 CPU: 9032.99, 0.00295835/step Wall: 9032.99, 0.00295835/step, 1.61806 hours remaining, 206.117188 MB of memory in use. ENERGY: 3031000 767.2817 2084.2250 1926.4114 106.2007 -206590.0825 17871.1225 0.0000 0.0000 34196.5927 -149638.2484 298.6473 -183834.8412 -149544.3203 298.2134 -12.4195 20.1864 557007.8959 13.8224 13.9607 PRESSURE: 3031200 36.0999 12.4117 -85.3974 12.412 71.6401 -54.0426 -85.3981 -54.0409 263.158 GPRESSURE: 3031200 82.6712 -28.2857 -35.9127 -20.5327 128.569 -150.142 -147.761 41.6843 255.039 PRESSAVG: 3031200 -7.94416 -18.5685 -2.26581 -18.5685 -10.4333 27.0193 -2.26578 27.0194 60.2186 GPRESSAVG: 3031200 -7.11532 -19.1253 1.75416 -20.7428 -10.5043 27.615 -3.45728 25.9809 59.3008 TIMING: 3031200 CPU: 9033.59, 0.00295481/step Wall: 9033.59, 0.00295481/step, 1.61595 hours remaining, 206.117188 MB of memory in use. ENERGY: 3031200 707.0466 2048.0207 1931.9471 115.5237 -206917.8693 18090.5497 0.0000 0.0000 34141.5154 -149883.2662 298.1663 -184024.7816 -149786.5783 298.5893 123.6325 155.4264 555956.8851 13.9470 13.8937 PRESSURE: 3031400 53.1417 10.5907 18.4367 10.5899 -17.59 -79.1001 18.4366 -79.099 110.427 GPRESSURE: 3031400 104.432 -9.41247 1.49417 -2.38307 37.3644 -55.6459 40.1435 -94.9375 109.576 PRESSAVG: 3031400 3.26178 63.8527 -21.3397 63.8526 -11.5448 -32.3593 -21.3397 -32.3592 39.4674 GPRESSAVG: 3031400 2.85722 65.9285 -21.6837 63.6598 -11.4987 -34.83 -21.2069 -30.4695 39.7885 TIMING: 3031400 CPU: 9034.17, 0.00292116/step Wall: 9034.17, 0.00292116/step, 1.59739 hours remaining, 206.117188 MB of memory in use. ENERGY: 3031400 719.6651 2059.3002 1942.4903 107.8455 -206407.2144 17835.8994 0.0000 0.0000 34137.8164 -149604.1974 298.1340 -183742.0138 -149508.0411 298.3852 48.6596 83.7905 556959.7832 10.3948 10.3823 PRESSURE: 3031600 47.4701 -83.1868 -12.2575 -83.1872 124.124 -5.7597 -12.2565 -5.75985 -26.3383 GPRESSURE: 3031600 33.0652 -18.3627 -59.2512 -41.1148 163.423 -63.8298 -38.6096 74.2192 44.1402 PRESSAVG: 3031600 16.0812 17.4622 -78.8761 17.4623 3.7653 -53.0112 -78.8761 -53.0112 6.73796 GPRESSAVG: 3031600 15.666 17.3819 -81.5195 19.483 4.10503 -51.8222 -78.6582 -52.7369 6.54817 TIMING: 3031600 CPU: 9034.76, 0.00295029/step Wall: 9034.76, 0.00295029/step, 1.61315 hours remaining, 206.117188 MB of memory in use. ENERGY: 3031600 741.3879 2002.0426 1946.6745 103.1191 -206373.8106 17917.0283 0.0000 0.0000 34009.1312 -149654.4269 297.0102 -183663.5581 -149558.8977 298.4286 48.4187 80.2096 556146.0559 8.8615 8.7731 PRESSURE: 3031800 32.7898 -54.638 25.8443 -54.6376 -109.032 -91.5942 25.8449 -91.5923 19.0124 GPRESSURE: 3031800 103.335 -90.3946 52.8375 -50.9029 -25.9563 -66.6222 -68.7074 -71.9235 -14.9259 PRESSAVG: 3031800 44.4997 -1.24535 -31.0413 -1.24542 -13.7354 -13.3479 -31.0412 -13.3478 4.19794 GPRESSAVG: 3031800 44.7076 -1.83841 -29.0658 -1.07711 -13.3796 -14.4117 -33.3658 -12.6533 3.94768 TIMING: 3031800 CPU: 9035.35, 0.00294204/step Wall: 9035.35, 0.00294204/step, 1.60848 hours remaining, 206.117188 MB of memory in use. ENERGY: 3031800 780.3240 2001.9180 1924.2310 107.5700 -206233.5859 17770.2589 0.0000 0.0000 34008.6875 -149640.5966 297.0063 -183649.2841 -149539.1224 297.9987 -19.0767 20.8177 557080.3303 11.6541 11.7586 PRESSURE: 3032000 137.833 110.79 180.125 110.79 -105.131 53.3343 180.124 53.3346 200.611 GPRESSURE: 3032000 178.159 212.256 169.866 38.2239 -61.2083 52.1895 178.355 30.9591 224.482 PRESSAVG: 3032000 7.12117 -21.1971 17.1037 -21.1971 -52.634 3.267 17.1036 3.26693 5.32681 GPRESSAVG: 3032000 7.14297 -21.7484 14.239 -22.1855 -53.4954 2.54829 20.9238 1.05949 6.12157 TIMING: 3032000 CPU: 9035.93, 0.00292444/step Wall: 9035.93, 0.00292444/step, 1.59869 hours remaining, 206.117188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3032000 715.6034 2023.1334 1946.6749 117.2579 -206535.9014 17986.4286 0.0000 0.0000 34088.9864 -149657.8167 297.7076 -183746.8031 -149566.8486 297.6999 77.7710 113.8106 556148.7191 -13.3953 -13.4103 PRESSURE: 3032200 -176.824 -100.908 99.1446 -100.908 121.28 10.3761 99.145 10.3759 55.68 GPRESSURE: 3032200 -194.468 -106.076 112.657 -137.306 124.498 26.2241 127.248 2.05743 157.694 PRESSAVG: 3032200 21.7669 5.76167 47.8855 5.76162 -9.62258 13.2447 47.8856 13.2448 -7.76655 GPRESSAVG: 3032200 21.1122 6.80908 49.3148 5.85314 -9.40572 15.3353 46.9154 13.9707 -6.84682 TIMING: 3032200 CPU: 9036.52, 0.00292005/step Wall: 9036.52, 0.00292005/step, 1.59613 hours remaining, 206.117188 MB of memory in use. ENERGY: 3032200 757.8263 2086.7850 1920.5755 101.7561 -206860.0575 18119.7244 0.0000 0.0000 34180.7897 -149692.6005 298.5093 -183873.3902 -149606.9230 297.3777 0.0453 29.2414 556879.2478 1.4593 1.6199 LDB: ============= START OF LOAD BALANCING ============== 9040.06 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9040.06 LDB: =============== DONE WITH MIGRATION ================ 9040.06 LDB: ============= START OF LOAD BALANCING ============== 9040.36 LDB: Largest compute 4773 load 0.025713 is 21.8% of average load 0.118220 LDB: Average compute 0.001740 is 1.5% of average load 0.118220 LDB: TIME 9040.36 LOAD: AVG 0.11822 MAX 0.197366 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.887 MB LDB: TIME 9040.36 LOAD: AVG 0.11822 MAX 0.197366 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.891 MB LDB: TIME 9040.36 LOAD: AVG 0.11822 MAX 0.197366 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.891 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9040.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9040.37 PRESSURE: 3032400 -314.496 -12.209 -111.531 -12.2095 161.233 22.0557 -111.531 22.0575 -203.33 GPRESSURE: 3032400 -177.499 -7.43671 -106.194 31.85 133.445 9.5605 -62.8702 67.0073 -219.243 PRESSAVG: 3032400 -52.9065 -2.76552 37.7741 -2.76558 7.52311 -19.5329 37.7741 -19.5328 25.2735 GPRESSAVG: 3032400 -52.2449 -2.67878 37.7186 -2.89844 8.17106 -22.7461 38.3005 -18.6674 23.8161 TIMING: 3032400 CPU: 9037.12, 0.00299494/step Wall: 9037.12, 0.00299494/step, 1.6369 hours remaining, 206.593750 MB of memory in use. ENERGY: 3032400 744.0756 2072.2729 1929.9267 105.5137 -206216.8624 17668.6519 0.0000 0.0000 34193.0247 -149503.3969 298.6162 -183696.4217 -149402.9270 298.3620 -118.8645 -87.7659 557974.9276 -6.7033 -6.7526 PRESSURE: 3032600 139.495 -79.0558 -73.2006 -79.0562 340.872 -138.511 -73.2004 -138.51 175.302 GPRESSURE: 3032600 240.524 -136.877 -37.282 13.2135 344.562 -108.916 -87.6756 -155.612 171.341 PRESSAVG: 3032600 -5.41702 -7.95702 5.20272 -7.95703 89.9209 9.46471 5.20273 9.46467 -26.132 GPRESSAVG: 3032600 -5.28659 -7.6548 4.12307 -8.19537 88.8522 11.6145 2.61917 9.09914 -25.0877 TIMING: 3032600 CPU: 9037.7, 0.00294261/step Wall: 9037.7, 0.00294261/step, 1.60814 hours remaining, 206.851562 MB of memory in use. ENERGY: 3032600 712.9736 2097.2852 1937.0531 110.9608 -206828.0207 18222.4002 0.0000 0.0000 34192.9266 -149554.4211 298.6153 -183747.3477 -149453.7590 298.2055 218.5560 252.1423 556725.2643 19.4573 19.4926 PRESSURE: 3032800 -130.292 -0.0421933 81.3266 -0.0412417 143.361 71.0263 81.3267 71.0257 25.8823 GPRESSURE: 3032800 -68.2119 -61.638 73.5911 85.1484 167.188 94.369 22.948 28.6261 40.1355 PRESSAVG: 3032800 -59.3903 30.9525 -12.31 30.9525 53.419 -29.8611 -12.31 -29.8611 -25.2575 GPRESSAVG: 3032800 -60.5169 30.3369 -10.9597 30.9292 53.0956 -30.5103 -10.383 -30.6406 -24.5263 TIMING: 3032800 CPU: 9038.29, 0.00292875/step Wall: 9038.29, 0.00292875/step, 1.6004 hours remaining, 206.886719 MB of memory in use. ENERGY: 3032800 755.1309 2052.5927 1941.6742 115.6540 -206205.3578 17833.0595 0.0000 0.0000 34078.9804 -149428.2662 297.6202 -183507.2466 -149329.0737 298.4087 12.9839 46.3704 557705.0328 -10.4096 -10.6492 PRESSURE: 3033000 -209.221 85.9176 -44.9689 85.9175 -101.49 -259.636 -44.9695 -259.638 50.054 GPRESSURE: 3033000 -140.485 -15.168 -99.3205 150.941 -76.5396 -284.429 -120.201 -294.607 63.512 PRESSAVG: 3033000 -31.9284 -26.778 -3.04374 -26.7781 -20.4717 -50.3619 -3.04374 -50.362 39.4801 GPRESSAVG: 3033000 -31.9444 -28.5904 -3.03881 -23.9155 -18.2272 -50.0787 -2.44576 -50.4032 37.7956 TIMING: 3033000 CPU: 9038.88, 0.00294764/step Wall: 9038.88, 0.00294764/step, 1.61056 hours remaining, 206.886719 MB of memory in use. ENERGY: 3033000 725.0236 2138.5878 1903.2056 115.6805 -206368.8937 17845.4668 0.0000 0.0000 34031.4540 -149609.4754 297.2052 -183640.9294 -149513.0824 298.7536 -86.8858 -51.1710 556679.9076 -4.3067 -4.1253 PRESSURE: 3033200 79.133 -248.077 78.0435 -248.078 -95.5155 -40.8152 78.0424 -40.8147 3.69 GPRESSURE: 3033200 96.6697 -192.036 33.5905 -174.816 -105.724 18.9721 -15.0894 -8.78928 91.9022 PRESSAVG: 3033200 41.462 -28.9416 25.476 -28.9416 3.04069 -84.7129 25.476 -84.7129 -19.1861 GPRESSAVG: 3033200 42.2805 -28.4335 26.4921 -32.043 1.05668 -86.1919 23.8528 -83.1589 -17.946 TIMING: 3033200 CPU: 9039.47, 0.00296107/step Wall: 9039.47, 0.00296107/step, 1.61773 hours remaining, 206.886719 MB of memory in use. ENERGY: 3033200 793.4587 2098.5621 1952.0594 108.1189 -206589.4020 17861.4530 0.0000 0.0000 34356.3547 -149419.3952 300.0426 -183775.7499 -149326.3592 298.0739 -4.2308 27.6159 555420.8871 8.4389 8.4638 PRESSURE: 3033400 -12.203 -20.7092 29.24 -20.7111 -78.4533 113.123 29.2408 113.123 -190.029 GPRESSURE: 3033400 14.6253 22.1076 -6.79516 -68.9989 -59.2395 123.993 29.531 80.6017 -148.982 PRESSAVG: 3033400 -3.12616 -21.8658 -46.5151 -21.8658 3.16262 -51.3123 -46.515 -51.3123 32.8436 GPRESSAVG: 3033400 -3.51191 -21.5779 -49.331 -21.6349 4.03158 -49.8097 -45.449 -51.7985 32.5287 TIMING: 3033400 CPU: 9040.06, 0.00294972/step Wall: 9040.06, 0.00294972/step, 1.61136 hours remaining, 206.992188 MB of memory in use. ENERGY: 3033400 837.6279 2100.3091 1953.5533 105.3593 -206499.8734 17865.1374 0.0000 0.0000 34117.7535 -149520.1329 297.9588 -183637.8864 -149424.1874 298.8812 -93.5618 -64.5320 557040.7248 10.9600 11.0161 PRESSURE: 3033600 -183.75 53.1923 28.2527 53.1913 -9.51796 -24.8783 28.2521 -24.8784 -56.1698 GPRESSURE: 3033600 -161.259 58.6499 -44.4438 16.6019 -10.769 -44.6714 89.2355 89.1927 13.938 PRESSAVG: 3033600 59.3163 -24.7164 -28.7631 -24.7164 34.7126 30.4055 -28.7631 30.4054 -81.8666 GPRESSAVG: 3033600 60.837 -23.01 -28.6163 -26.0939 33.4168 30.7537 -29.7213 31.1517 -82.0143 TIMING: 3033600 CPU: 9040.66, 0.00296802/step Wall: 9040.66, 0.00296802/step, 1.6212 hours remaining, 206.992188 MB of memory in use. ENERGY: 3033600 792.1881 2110.3886 1922.1927 114.5377 -206198.6418 17665.5599 0.0000 0.0000 34230.1113 -149363.6635 298.9401 -183593.7748 -149264.7556 298.7150 -83.1459 -52.6966 556777.5620 4.0541 4.0798 PRESSURE: 3033800 -144.169 233.121 -23.2452 233.121 29.1307 -74.9488 -23.2448 -74.948 -296.437 GPRESSURE: 3033800 -73.8568 257.946 8.65528 233.178 27.0393 -38.5388 43.539 -150.722 -279.521 PRESSAVG: 3033800 -3.46074 9.69615 74.5175 9.69614 -26.0639 18.5038 74.5174 18.5039 43.2959 GPRESSAVG: 3033800 -4.24269 8.41152 74.4008 11.5028 -25.3584 18.4006 74.4808 16.2935 43.5602 TIMING: 3033800 CPU: 9041.26, 0.00302432/step Wall: 9041.26, 0.00302432/step, 1.65178 hours remaining, 206.992188 MB of memory in use. ENERGY: 3033800 735.7411 2144.1333 1952.1034 110.0095 -205895.1693 17410.2117 0.0000 0.0000 34202.4339 -149340.5364 298.6984 -183542.9703 -149244.8691 299.4291 -137.1583 -108.7794 557629.0359 4.5904 4.6530 PRESSURE: 3034000 518.192 116.51 184.237 116.511 13.7432 -20.8983 184.237 -20.8987 218.925 GPRESSURE: 3034000 567.147 154.791 130.901 155.168 42.6234 7.18106 272.207 -26.5785 250.327 PRESSAVG: 3034000 1.35467 67.8567 22.5446 67.8568 28.1906 -29.3492 22.5446 -29.3493 -41.2202 GPRESSAVG: 3034000 2.04066 68.1044 24.2949 66.7869 27.6564 -28.0278 23.3451 -28.9119 -40.9997 TIMING: 3034000 CPU: 9041.86, 0.00300887/step Wall: 9041.86, 0.00300887/step, 1.64318 hours remaining, 206.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3034000 747.5089 2165.4292 1933.3295 116.6986 -206982.7514 18304.4408 0.0000 0.0000 34416.3317 -149299.0128 300.5664 -183715.3445 -149203.1764 299.1819 250.2866 286.6992 555747.4069 -3.8917 -3.7675 PRESSURE: 3034200 -280.885 -119.831 26.5716 -119.83 -183.74 -44.8357 26.5724 -44.8355 -131.417 GPRESSURE: 3034200 -252.965 -90.8108 80.315 -127.145 -128.295 -154.249 27.3134 -12.8561 -131.212 PRESSAVG: 3034200 22.3598 -35.095 35.6163 -35.095 52.406 42.1207 35.6163 42.1208 -67.6848 GPRESSAVG: 3034200 21.6089 -34.2542 34.2482 -35.9309 53.29 39.2777 36.5666 45.3252 -68.2762 TIMING: 3034200 CPU: 9042.45, 0.00296511/step Wall: 9042.45, 0.00296511/step, 1.61912 hours remaining, 206.992188 MB of memory in use. ENERGY: 3034200 712.8393 2165.3459 1911.4602 112.7249 -205660.9241 17360.0267 0.0000 0.0000 34345.4540 -149053.0731 299.9474 -183398.5271 -148957.1884 300.2873 -198.6806 -170.8240 557639.0456 2.3603 2.2075 PRESSURE: 3034400 -157.093 10.3571 238.426 10.3564 -141.131 46.713 238.427 46.712 -27.5279 GPRESSURE: 3034400 -145.025 10.051 196.811 -11.0221 -60.4369 26.7773 221.706 83.2974 -29.5319 PRESSAVG: 3034400 -43.3255 36.584 17.0738 36.5841 52.2298 38.0791 17.0738 38.0791 4.09046 GPRESSAVG: 3034400 -43.8538 37.6347 16.6668 36.6164 53.3027 39.977 15.6674 35.4008 3.98924 TIMING: 3034400 CPU: 9043.05, 0.0029567/step Wall: 9043.05, 0.0029567/step, 1.61436 hours remaining, 206.992188 MB of memory in use. ENERGY: 3034400 784.5929 2098.3532 1942.4012 117.9573 -206168.4298 17671.2508 0.0000 0.0000 34448.5557 -149105.3186 300.8478 -183553.8743 -149012.0884 299.3542 -108.5840 -78.3312 556848.3641 4.3316 4.4794 PRESSURE: 3034600 -67.8635 58.8243 4.08871 58.8239 -62.9029 11.3149 4.08944 11.3161 -130.925 GPRESSURE: 3034600 -105.328 -6.2478 -115.642 67.8663 -22.1203 55.8002 67.4585 37.6916 -30.2005 PRESSAVG: 3034600 -6.12441 41.751 -22.2633 41.7509 34.3589 9.98907 -22.2632 9.98899 -16.0087 GPRESSAVG: 3034600 -5.72863 42.3046 -20.6432 41.714 32.5582 9.53169 -22.6724 9.88872 -14.2808 TIMING: 3034600 CPU: 9043.64, 0.00295808/step Wall: 9043.64, 0.00295808/step, 1.61495 hours remaining, 206.992188 MB of memory in use. ENERGY: 3034600 760.3452 2140.6642 1956.4376 111.9666 -205881.4410 17612.3958 0.0000 0.0000 34229.9265 -149069.7052 298.9385 -183299.6317 -148974.6132 299.3844 -87.2306 -52.5495 558160.7633 4.0753 4.1829 PRESSURE: 3034800 131.461 62.2355 20.8668 62.2341 132.87 -8.1889 20.8664 -8.18752 37.3446 GPRESSURE: 3034800 142.315 0.401496 72.1563 48.5805 178.68 -45.7753 -3.37364 -26.3482 90.0748 PRESSAVG: 3034800 20.5557 14.1941 -26.2605 14.1941 29.59 56.0448 -26.2605 56.0449 -44.8098 GPRESSAVG: 3034800 19.9456 13.1999 -26.4168 15.6065 30.2977 54.8938 -26.982 56.7392 -44.6397 TIMING: 3034800 CPU: 9044.23, 0.00295915/step Wall: 9044.23, 0.00295915/step, 1.61537 hours remaining, 206.992188 MB of memory in use. ENERGY: 3034800 746.9406 2110.2556 1930.6394 109.0819 -206709.6226 18069.8630 0.0000 0.0000 34497.0061 -149245.8360 301.2709 -183742.8421 -149149.0937 299.8994 100.5583 137.0232 557635.1299 1.7786 1.8679 PRESSURE: 3035000 -206.254 -2.27048 44.1913 -2.27105 -209.619 -71.0828 44.1912 -71.083 120.874 GPRESSURE: 3035000 -132.927 -46.6264 120.022 80.2678 -184.591 16.5284 -22.078 -143.707 110.468 PRESSAVG: 3035000 16.2733 37.5395 -17.5492 37.5395 46.1941 -30.1163 -17.5493 -30.1163 -23.0317 GPRESSAVG: 3035000 16.7887 37.292 -17.8308 36.3678 45.751 -29.849 -17.708 -31.1623 -23.2791 TIMING: 3035000 CPU: 9044.82, 0.00293465/step Wall: 9044.82, 0.00293465/step, 1.60183 hours remaining, 206.992188 MB of memory in use. ENERGY: 3035000 759.0142 2103.1276 1942.3015 111.8351 -206533.3902 17921.1439 0.0000 0.0000 34184.1890 -149511.7788 298.5390 -183695.9678 -149420.8744 299.2088 -98.3327 -69.0168 558408.5466 13.1453 13.0869 PRESSURE: 3035200 65.4076 107.152 -120.925 107.151 147.059 1.77276 -120.925 1.77328 44.2517 GPRESSURE: 3035200 123.323 144.573 -100.854 90.6794 177.605 -23.0716 -153.38 -12.6425 59.1363 PRESSAVG: 3035200 22.211 -20.5029 -18.7725 -20.5028 -69.5577 -2.47276 -18.7725 -2.47264 -7.55119 GPRESSAVG: 3035200 23.1417 -22.668 -20.0937 -19.1505 -70.0477 -1.39472 -15.5166 -1.97349 -8.44586 TIMING: 3035200 CPU: 9045.4, 0.0029404/step Wall: 9045.4, 0.0029404/step, 1.6048 hours remaining, 206.992188 MB of memory in use. ENERGY: 3035200 717.8158 2053.7528 1958.1350 115.1241 -206297.9740 17811.2120 0.0000 0.0000 34296.9863 -149344.9479 299.5241 -183641.9342 -149242.0006 299.2288 85.5727 120.0215 556788.9446 -18.2993 -18.4506 PRESSURE: 3035400 204.405 -151.961 -61.4979 -151.961 107.511 -123.389 -61.4974 -123.389 193.136 GPRESSURE: 3035400 169.062 -79.6755 -42.0023 -173.08 204.096 -71.8093 -116.447 -100.891 230.878 PRESSAVG: 3035400 -32.179 3.02409 -40.0361 3.02401 -13.0521 -43.5026 -40.0361 -43.5026 23.3851 GPRESSAVG: 3035400 -32.1439 5.39588 -39.0708 0.61641 -13.4314 -43.8231 -42.8667 -43.8782 23.8011 TIMING: 3035400 CPU: 9046, 0.00295924/step Wall: 9046, 0.00295924/step, 1.61492 hours remaining, 206.992188 MB of memory in use. ENERGY: 3035400 745.2718 2119.8029 1933.6290 121.6491 -206510.7784 18123.6309 0.0000 0.0000 33974.2177 -149492.5771 296.7053 -183466.7947 -149398.1700 299.2067 168.3509 201.3455 557108.3676 -7.2820 -7.2581 PRESSURE: 3035600 20.8469 28.0542 -34.7245 28.0536 232.753 -0.00750128 -34.7253 -0.0067434 1.09442 GPRESSURE: 3035600 3.78717 63.0112 -168.721 20.4158 259.644 16.6515 68.4164 -1.75292 83.7811 PRESSAVG: 3035600 -13.7058 -29.0479 -2.67455 -29.0479 18.4065 4.90046 -2.67462 4.90049 -27.5009 GPRESSAVG: 3035600 -14.9565 -28.7885 -3.90268 -29.5387 18.8143 3.69015 -1.83227 6.17807 -26.517 TIMING: 3035600 CPU: 9046.58, 0.00293892/step Wall: 9046.58, 0.00293892/step, 1.60367 hours remaining, 206.992188 MB of memory in use. ENERGY: 3035600 721.7572 2150.0715 1942.0378 104.2023 -206545.4509 17879.9650 0.0000 0.0000 34330.5004 -149416.9167 299.8168 -183747.4171 -149324.9955 298.8805 84.8982 115.7373 557205.9407 -7.6001 -7.5531 PRESSURE: 3035800 341.779 -29.5506 67.2106 -29.5492 132.894 -204.522 67.2122 -204.522 40.32 GPRESSURE: 3035800 340.486 18.5215 80.9602 -111.165 146.988 -292.451 -72.2591 -42.0641 116.867 PRESSAVG: 3035800 -0.754799 -26.3341 8.70917 -26.3342 -34.6459 -12.3664 8.70918 -12.3663 91.4699 GPRESSAVG: 3035800 -0.161359 -28.1179 8.6716 -23.7518 -34.6298 -12.7054 9.10555 -13.5792 90.6999 TIMING: 3035800 CPU: 9047.18, 0.0029674/step Wall: 9047.18, 0.0029674/step, 1.61904 hours remaining, 206.992188 MB of memory in use. ENERGY: 3035800 743.9475 2150.2490 1926.6868 125.7119 -206413.4389 17838.2250 0.0000 0.0000 34205.1364 -149423.4824 298.7220 -183628.6188 -149324.2673 298.9619 171.6643 201.4470 555313.8527 18.6897 18.6362 PRESSURE: 3036000 -31.7397 -13.9784 148.662 -13.9802 50.9108 31.5213 148.661 31.5215 175.524 GPRESSURE: 3036000 23.5908 -12.9612 98.3401 6.91867 26.8462 -98.1749 147.66 68.281 249.931 PRESSAVG: 3036000 34.9595 -31.0145 -12.9402 -31.0146 -70.1562 -0.87714 -12.9402 -0.877293 -58.9929 GPRESSAVG: 3036000 35.0599 -29.6835 -13.942 -31.757 -71.0171 -0.589212 -12.9144 0.0795053 -58.2516 TIMING: 3036000 CPU: 9047.77, 0.00298076/step Wall: 9047.77, 0.00298076/step, 1.62617 hours remaining, 206.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3036000 750.0545 2122.6343 1935.3327 109.5813 -206433.8571 17907.8070 0.0000 0.0000 34174.0849 -149434.3625 298.4508 -183608.4474 -149336.4865 298.7251 64.8982 100.1226 555701.2115 -31.3965 -31.4030 PRESSURE: 3036200 -92.1831 98.0194 54.442 98.0194 -24.4607 -76.1478 54.4412 -76.1495 25.8685 GPRESSURE: 3036200 -41.3788 48.0417 -28.681 64.3339 -30.0404 0.465386 90.1475 -130.405 85.211 PRESSAVG: 3036200 55.7522 21.862 11.3032 21.862 8.87051 20.045 11.3032 20.045 -39.0533 GPRESSAVG: 3036200 56.5101 21.2079 13.1855 21.7062 9.93683 21.0511 9.78599 18.1295 -40.3059 TIMING: 3036200 CPU: 9048.37, 0.00300207/step Wall: 9048.37, 0.00300207/step, 1.63763 hours remaining, 206.992188 MB of memory in use. ENERGY: 3036200 715.8387 2185.1943 1933.0523 98.9385 -205974.9013 17640.3649 0.0000 0.0000 34008.1955 -149393.3170 297.0020 -183401.5126 -149305.7411 298.9268 -30.2584 4.5973 557638.0877 8.5231 8.7137 LDB: ============= START OF LOAD BALANCING ============== 9051.93 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9051.93 LDB: =============== DONE WITH MIGRATION ================ 9051.93 LDB: ============= START OF LOAD BALANCING ============== 9052.23 LDB: Largest compute 4773 load 0.024753 is 20.9% of average load 0.118231 LDB: Average compute 0.001741 is 1.5% of average load 0.118231 LDB: TIME 9052.23 LOAD: AVG 0.118231 MAX 0.199533 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 9052.23 LOAD: AVG 0.118231 MAX 0.199533 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 9052.23 LOAD: AVG 0.118231 MAX 0.199533 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9052.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9052.23 PRESSURE: 3036400 -140.99 47.1134 124.101 47.1134 54.8297 -52.5929 124.101 -52.5926 128.567 GPRESSURE: 3036400 -185.281 86.6563 180.151 85.3444 101.301 -39.5204 48.1053 -90.3094 212.692 PRESSAVG: 3036400 -15.0924 36.8179 25.6871 36.8179 -27.2136 6.18208 25.6872 6.18208 2.95675 GPRESSAVG: 3036400 -15.7609 37.2252 26.3048 37.2873 -26.6429 3.97759 26.4619 6.69367 3.3569 TIMING: 3036400 CPU: 9048.98, 0.00305072/step Wall: 9048.98, 0.00305072/step, 1.664 hours remaining, 207.503906 MB of memory in use. ENERGY: 3036400 710.1419 2111.4591 1975.6930 108.0543 -206350.9482 17768.6800 0.0000 0.0000 34364.1229 -149312.7970 300.1104 -183676.9199 -149216.3214 298.4799 14.1355 42.9039 556247.9384 -13.1164 -13.0156 PRESSURE: 3036600 -40.6846 -10.4456 -87.7157 -10.4467 -288.988 6.49602 -87.716 6.49444 -86.8615 GPRESSURE: 3036600 10.6472 -5.1951 -92.0769 -15.4002 -250.893 -27.6296 19.0888 38.9182 -83.1236 PRESSAVG: 3036600 21.4365 14.3828 46.127 14.3828 -24.9826 50.0485 46.1269 50.0484 45.6201 GPRESSAVG: 3036600 22.2657 14.6579 44.9312 14.3259 -25.1417 49.5526 47.4413 51.6394 45.1919 TIMING: 3036600 CPU: 9049.58, 0.00295537/step Wall: 9049.58, 0.00295537/step, 1.61182 hours remaining, 207.503906 MB of memory in use. ENERGY: 3036600 758.8102 2063.5467 1947.6376 102.6984 -206012.1943 17500.9249 0.0000 0.0000 34266.0033 -149372.5732 299.2535 -183638.5765 -149273.6199 299.5530 -138.8445 -107.7898 557304.6285 14.0247 14.1053 PRESSURE: 3036800 -128.051 -95.3521 -114.308 -95.3509 -172.488 -35.7133 -114.309 -35.7133 -272.474 GPRESSURE: 3036800 -72.4456 -103.87 -135.733 -101.23 -145.221 -56.0266 15.5447 40.0729 -257.809 PRESSAVG: 3036800 5.59174 24.8279 1.17761 24.8278 -46.5448 5.74954 1.17758 5.74966 -4.29987 GPRESSAVG: 3036800 5.43153 25.7807 1.93259 23.3786 -47.9023 7.22084 0.418975 3.45501 -2.91502 TIMING: 3036800 CPU: 9050.17, 0.00295575/step Wall: 9050.17, 0.00295575/step, 1.61187 hours remaining, 207.503906 MB of memory in use. ENERGY: 3036800 758.1909 2092.1635 1958.2196 115.9129 -206246.3258 17615.8014 0.0000 0.0000 34295.3299 -149410.7077 299.5096 -183706.0375 -149311.9710 298.5852 -191.0043 -158.4920 557074.5244 -15.0843 -15.1286 PRESSURE: 3037000 -80.3904 -107.42 -22.79 -107.421 -54.9363 -92.4328 -22.7905 -92.4333 125.393 GPRESSURE: 3037000 -60.0567 -138.577 34.579 -42.9904 -2.81015 58.2387 -98.5049 -124.32 151.385 PRESSAVG: 3037000 -3.48078 -64.5296 23.3478 -64.5296 -23.2908 2.38776 23.3477 2.3879 33.8778 GPRESSAVG: 3037000 -3.63763 -65.2304 21.2055 -62.9431 -22.605 2.89574 24.4527 2.03277 33.1077 TIMING: 3037000 CPU: 9050.76, 0.00294197/step Wall: 9050.76, 0.00294197/step, 1.60419 hours remaining, 207.503906 MB of memory in use. ENERGY: 3037000 748.2368 2109.1681 1938.9153 113.1834 -205916.1424 17631.9887 0.0000 0.0000 33931.9126 -149442.7375 296.3358 -183374.6501 -149343.2646 298.5496 -3.3112 29.5059 556686.2442 2.3687 2.2884 PRESSURE: 3037200 -86.2208 45.2067 49.5996 45.2061 -111.695 1.77881 49.5986 1.77813 -52.2453 GPRESSURE: 3037200 -28.6133 78.6508 -7.73414 -28.3444 -56.9173 10.0926 139.882 15.8551 -61.5535 PRESSAVG: 3037200 114.249 -71.2244 -27.2824 -71.2244 -116.427 -28.6095 -27.2823 -28.6096 37.5709 GPRESSAVG: 3037200 113.751 -69.2908 -24.1562 -72.1136 -116.314 -28.9344 -28.4123 -27.5123 37.8266 TIMING: 3037200 CPU: 9051.34, 0.00293605/step Wall: 9051.34, 0.00293605/step, 1.6008 hours remaining, 207.503906 MB of memory in use. ENERGY: 3037200 761.6750 2042.8097 1946.1859 122.3340 -206270.0609 17626.8027 0.0000 0.0000 34174.0693 -149596.1843 298.4506 -183770.2537 -149500.6966 298.6423 -83.3871 -49.0280 555485.3151 11.7978 11.7545 PRESSURE: 3037400 -203.187 -112.726 23.0624 -112.726 -151.493 -103.944 23.0636 -103.943 -130.127 GPRESSURE: 3037400 -146.988 -80.562 -28.8996 -126.481 -97.2283 -143.134 -63.0024 -64.2677 -134.806 PRESSAVG: 3037400 -43.4808 -17.7162 -16.0474 -17.7161 7.39194 -21.1466 -16.0475 -21.1466 45.4911 GPRESSAVG: 3037400 -43.4286 -19.592 -19.3585 -17.9096 7.24262 -20.0357 -15.7701 -22.0162 45.547 TIMING: 3037400 CPU: 9051.93, 0.00292846/step Wall: 9051.93, 0.00292846/step, 1.5965 hours remaining, 207.503906 MB of memory in use. ENERGY: 3037400 766.5954 2106.7595 1947.9652 106.9251 -206122.1117 17745.1805 0.0000 0.0000 33973.7326 -149474.9534 296.7011 -183448.6860 -149384.7817 298.7454 -161.6024 -126.3407 557329.5576 3.1341 3.1203 PRESSURE: 3037600 -79.1721 16.6774 120.355 16.6769 47.774 6.64931 120.356 6.64841 -271.751 GPRESSURE: 3037600 -64.7136 64.8013 85.1535 -17.1404 63.548 31.0936 107.249 53.0509 -213.901 PRESSAVG: 3037600 47.5446 12.9915 24.9447 12.9915 -62.72 -0.649312 24.9447 -0.649213 -1.98932 GPRESSAVG: 3037600 46.7962 12.0772 28.0209 14.0744 -61.5447 -0.171018 25.1147 0.239637 -2.41438 TIMING: 3037600 CPU: 9052.52, 0.0029469/step Wall: 9052.52, 0.0029469/step, 1.60639 hours remaining, 207.503906 MB of memory in use. ENERGY: 3037600 741.1232 2095.1009 1963.0193 115.6833 -206034.7855 17572.5295 0.0000 0.0000 34035.7332 -149511.5961 297.2425 -183547.3293 -149419.9927 298.1125 -101.0498 -71.6888 557882.9790 -5.7216 -5.7210 PRESSURE: 3037800 131.657 12.7307 -108.816 12.7304 66.4409 -110.657 -108.816 -110.657 -139.731 GPRESSURE: 3037800 157.569 12.5047 -185.521 23.6907 151.002 -106.695 -47.2963 -55.6761 -146.581 PRESSAVG: 3037800 21.3182 51.6172 -38.2198 51.6172 -0.566248 -30.3255 -38.2199 -30.3256 -1.52391 GPRESSAVG: 3037800 21.5171 53.3573 -39.5112 51.5294 -1.76353 -33.6204 -37.6902 -29.6377 -0.261134 TIMING: 3037800 CPU: 9053.11, 0.00294936/step Wall: 9053.11, 0.00294936/step, 1.60756 hours remaining, 207.503906 MB of memory in use. ENERGY: 3037800 724.2091 2116.6484 1925.5116 111.1435 -206542.1381 17781.2475 0.0000 0.0000 34313.2220 -149570.1562 299.6659 -183883.3781 -149466.5655 298.4742 19.4558 53.9968 556930.0830 6.4093 6.4975 PRESSURE: 3038000 -223.583 69.1454 -43.5396 69.1455 -118.988 127.573 -43.5403 127.572 -208.033 GPRESSURE: 3038000 -131.625 109.549 -36.7067 -31.8994 -127.204 107.979 -130.66 99.705 -184.522 PRESSAVG: 3038000 19.2239 -29.9166 -52.9113 -29.9167 59.0484 -11.1158 -52.9114 -11.1158 -76.9573 GPRESSAVG: 3038000 20.0557 -32.0004 -52.9109 -28.745 60.0468 -9.29296 -52.942 -11.0329 -78.7012 TIMING: 3038000 CPU: 9053.7, 0.00294693/step Wall: 9053.7, 0.00294693/step, 1.60608 hours remaining, 207.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3038000 774.1328 2095.2902 1923.0663 109.6321 -205820.4973 17471.1219 0.0000 0.0000 33905.5229 -149541.7312 296.1054 -183447.2541 -149447.7380 298.3236 -183.5346 -147.7835 556980.6955 0.4383 0.4671 PRESSURE: 3038200 -294.802 30.2369 -78.2121 30.2364 -108.375 20.096 -78.2113 20.0956 -199.628 GPRESSURE: 3038200 -283.189 -10.8147 -39.6001 27.7725 -19.2457 11.5372 -119.31 89.5566 -203.346 PRESSAVG: 3038200 -29.3556 19.2697 26.1534 19.2697 8.532 25.0953 26.1534 25.0953 43.3551 GPRESSAVG: 3038200 -30.6129 19.3641 27.0137 17.1276 8.2225 25.1431 24.5558 25.0279 44.2889 TIMING: 3038200 CPU: 9054.28, 0.00292072/step Wall: 9054.28, 0.00292072/step, 1.59163 hours remaining, 207.648438 MB of memory in use. ENERGY: 3038200 769.9653 2102.8714 1912.1154 109.8245 -205891.4411 17526.8842 0.0000 0.0000 34209.1560 -149260.6244 298.7571 -183469.7804 -149165.0325 298.6286 -200.9354 -168.5934 557676.0894 7.5105 7.2995 PRESSURE: 3038400 -80.8259 123.275 -131.202 123.275 -162.841 46.1009 -131.202 46.1026 -151.428 GPRESSURE: 3038400 -56.6036 108.052 -62.9968 121.762 -129.119 52.9882 -217.318 -16.2756 -113.196 PRESSAVG: 3038400 10.7535 -1.69467 -69.6854 -1.69463 -5.20112 5.2471 -69.6854 5.24718 28.5227 GPRESSAVG: 3038400 11.9559 -0.916261 -70.0384 -1.5568 -5.20452 4.10784 -69.8709 5.67673 27.2875 TIMING: 3038400 CPU: 9054.86, 0.00291053/step Wall: 9054.86, 0.00291053/step, 1.58592 hours remaining, 207.648438 MB of memory in use. ENERGY: 3038400 735.4762 2065.5320 1971.3412 118.8543 -206015.4581 17654.1557 0.0000 0.0000 34167.4972 -149302.6016 298.3933 -183470.0987 -149207.5714 298.8642 -131.6983 -99.6396 557564.2228 11.3584 11.3463 PRESSURE: 3038600 14.2494 141.173 -72.0489 141.173 -88.3824 -151.723 -72.0493 -151.724 -28.0272 GPRESSURE: 3038600 42.7739 115.455 -73.4016 230.457 -53.981 -118.307 -58.7787 -166.633 7.53902 PRESSAVG: 3038600 42.6673 -21.1664 27.7346 -21.1665 23.1738 4.67123 27.7347 4.67113 -81.5159 GPRESSAVG: 3038600 43.5678 -21.6672 28.1716 -20.4412 21.5822 4.63963 29.881 3.99787 -80.5305 TIMING: 3038600 CPU: 9055.45, 0.00293314/step Wall: 9055.45, 0.00293314/step, 1.59807 hours remaining, 207.648438 MB of memory in use. ENERGY: 3038600 725.8718 2111.9063 1937.1969 124.2736 -206119.5707 17739.2225 0.0000 0.0000 34176.0573 -149305.0423 298.4680 -183481.0996 -149201.6489 298.2186 -34.0534 -1.2227 557418.0017 -5.2250 -5.1269 PRESSURE: 3038800 75.2315 -42.0738 218.312 -42.0726 -13.0451 -5.30183 218.312 -5.30246 38.2385 GPRESSURE: 3038800 151.202 -3.03861 223.006 -12.4663 8.1171 -75.8292 197.175 13.7634 36.0122 PRESSAVG: 3038800 65.8451 8.99973 -45.2327 8.99983 8.90254 18.6559 -45.2327 18.6559 -53.4047 GPRESSAVG: 3038800 63.9057 9.75632 -47.0532 9.06191 10.3144 18.3794 -45.6856 18.4749 -52.6485 TIMING: 3038800 CPU: 9056.04, 0.00294509/step Wall: 9056.04, 0.00294509/step, 1.60442 hours remaining, 207.648438 MB of memory in use. ENERGY: 3038800 749.7743 2119.3061 1928.0703 114.5505 -206138.0184 17824.7487 0.0000 0.0000 34232.5675 -149169.0011 298.9615 -183401.5686 -149080.6041 299.4283 33.4749 65.1105 557783.8909 7.1143 7.1905 PRESSURE: 3039000 -29.8122 -63.8999 -148.389 -63.9003 -61.8329 26.0262 -148.388 26.0271 -174.229 GPRESSURE: 3039000 28.0237 11.3541 -160.062 -91.3344 -29.7357 40.1834 -208.658 9.33187 -164.537 PRESSAVG: 3039000 35.1508 -85.6711 -38.8045 -85.6711 12.9157 -2.39151 -38.8044 -2.39148 -75.7575 GPRESSAVG: 3039000 34.75 -84.8849 -37.6892 -87.069 14.6017 -2.8783 -38.428 -1.58529 -76.8933 TIMING: 3039000 CPU: 9056.63, 0.00294024/step Wall: 9056.63, 0.00294024/step, 1.60162 hours remaining, 207.648438 MB of memory in use. ENERGY: 3039000 745.3095 2083.9991 1937.7962 105.2134 -206212.9781 17689.9137 0.0000 0.0000 34428.1226 -149222.6236 300.6694 -183650.7462 -149118.7929 299.1327 -88.6246 -55.4162 557518.1087 -9.2304 -9.1805 PRESSURE: 3039200 -79.5138 116.373 -100.51 116.374 114.18 64.9638 -100.511 64.9628 -28.8657 GPRESSURE: 3039200 -27.2923 -6.5728 -139.957 154.36 166.033 1.82468 -69.2548 58.6192 -38.3706 PRESSAVG: 3039200 22.5848 -52.0386 -1.44859 -52.0386 -15.2524 -9.54562 -1.44858 -9.54558 -36.8048 GPRESSAVG: 3039200 22.5325 -52.1383 -2.17794 -51.1111 -16.2668 -9.46666 -2.25609 -11.0286 -36.199 TIMING: 3039200 CPU: 9057.23, 0.00300985/step Wall: 9057.23, 0.00300985/step, 1.63937 hours remaining, 207.648438 MB of memory in use. ENERGY: 3039200 752.5777 2145.4875 1920.9490 125.7002 -206512.7558 17964.1746 0.0000 0.0000 34231.0256 -149372.8412 298.9481 -183603.8668 -149277.5722 298.4626 1.9336 33.4566 558292.6409 -9.8241 -9.9778 PRESSURE: 3039400 -164.784 -0.178909 -211.451 -0.179878 -22.5447 15.604 -211.451 15.6042 -267.263 GPRESSURE: 3039400 -122.146 20.2893 -263.517 -18.3116 -15.3985 -76.6383 -179.282 58.6186 -219.063 PRESSAVG: 3039400 -0.760059 -47.0156 14.7226 -47.0156 42.7965 18.4098 14.7226 18.4098 -26.8393 GPRESSAVG: 3039400 -1.47564 -47.7115 17.1994 -48.0704 43.3504 22.1132 13.5043 19.8398 -26.6272 TIMING: 3039400 CPU: 9057.82, 0.00296621/step Wall: 9057.82, 0.00296621/step, 1.61543 hours remaining, 207.648438 MB of memory in use. ENERGY: 3039400 783.5426 2072.7091 1941.3111 114.8404 -206092.8214 17677.7452 0.0000 0.0000 34074.2886 -149428.3843 297.5792 -183502.6728 -149326.5963 299.0004 -151.5305 -118.8691 558758.7972 5.0657 5.0825 PRESSURE: 3039600 -10.7578 -102.031 -17.6172 -102.03 162.579 -71.7669 -17.6169 -71.7682 30.6939 GPRESSURE: 3039600 -22.2678 -150.376 51.7816 -156.071 198.777 -115.248 -146.335 -30.2907 113.382 PRESSAVG: 3039600 -18.1775 -39.6017 27.3071 -39.6018 22.647 -8.59563 27.3072 -8.59549 -10.6439 GPRESSAVG: 3039600 -16.6148 -39.2997 25.2787 -38.606 21.7363 -10.3497 29.0558 -9.90362 -10.7839 TIMING: 3039600 CPU: 9058.41, 0.00295907/step Wall: 9058.41, 0.00295907/step, 1.61138 hours remaining, 207.648438 MB of memory in use. ENERGY: 3039600 762.6636 2069.3266 1950.2274 113.6090 -206378.5698 18013.3655 0.0000 0.0000 34237.0598 -149232.3180 299.0008 -183469.3778 -149134.1115 298.9519 60.8384 96.6304 558033.5411 -2.0581 -1.8875 PRESSURE: 3039800 49.5742 83.6886 -34.6231 83.6881 -516.697 32.6483 -34.6235 32.6494 118.275 GPRESSURE: 3039800 59.8708 124.697 -25.5366 58.0808 -404.962 49.9859 -17.5454 40.9374 84.9255 PRESSAVG: 3039800 -4.79119 -49.5817 -21.6909 -49.5817 21.546 31.4398 -21.6909 31.4398 -47.911 GPRESSAVG: 3039800 -6.01307 -49.8203 -22.0251 -50.3177 23.4018 30.0044 -23.1631 32.0377 -47.778 TIMING: 3039800 CPU: 9059.01, 0.00297042/step Wall: 9059.01, 0.00297042/step, 1.61739 hours remaining, 207.648438 MB of memory in use. ENERGY: 3039800 770.1479 2115.2598 1929.8565 106.8667 -206078.6916 17745.3081 0.0000 0.0000 34145.6248 -149265.6279 298.2022 -183411.2527 -149170.6020 298.8933 -116.2823 -86.7218 557224.3941 -10.3854 -10.1297 PRESSURE: 3040000 -87.1311 -213.446 -101.326 -213.445 137.169 -22.4068 -101.328 -22.4094 -154.618 GPRESSURE: 3040000 -3.24932 -128.17 -176.482 -172.918 151.691 -10.076 -161.228 4.6882 -150.283 PRESSAVG: 3040000 24.7487 -50.5761 38.8907 -50.5761 -41.9371 -3.35758 38.8906 -3.35753 4.36254 GPRESSAVG: 3040000 26.2033 -51.8122 38.9801 -47.4634 -44.3173 -1.57031 39.8076 -2.4733 5.46945 TIMING: 3040000 CPU: 9059.6, 0.00298004/step Wall: 9059.6, 0.00298004/step, 1.62247 hours remaining, 207.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3040000 759.0693 2087.2795 1959.1905 107.8704 -206051.6211 17747.6494 0.0000 0.0000 34336.1369 -149054.4250 299.8660 -183390.5619 -148958.5446 298.9306 -34.8598 -0.6137 558065.8108 -4.2753 -4.2148 PRESSURE: 3040200 -359.978 158.611 -81.1115 158.61 -283.618 -106.518 -81.1118 -106.517 -184.085 GPRESSURE: 3040200 -350.255 143.527 -133.073 208.393 -313.525 -59.8378 -54.1202 -122.415 -78.1177 PRESSAVG: 3040200 -8.58767 6.58492 14.5145 6.58484 7.95503 -32.4178 14.5145 -32.4177 19.2511 GPRESSAVG: 3040200 -7.94217 7.61355 17.6457 3.4527 7.31581 -32.8453 12.7728 -32.4105 19.0531 TIMING: 3040200 CPU: 9060.2, 0.00297292/step Wall: 9060.2, 0.00297292/step, 1.61842 hours remaining, 207.648438 MB of memory in use. ENERGY: 3040200 763.1809 2137.3833 1924.6541 113.3016 -205745.4105 17476.5426 0.0000 0.0000 34436.7892 -148893.5589 300.7450 -183330.3481 -148798.6109 300.5536 -275.8937 -247.2992 559794.2535 6.2061 6.1422 LDB: ============= START OF LOAD BALANCING ============== 9063.75 LDB: ============== END OF LOAD BALANCING =============== 9063.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9063.75 LDB: ============= START OF LOAD BALANCING ============== 9064.05 LDB: Largest compute 4773 load 0.024684 is 20.9% of average load 0.118195 LDB: Average compute 0.001745 is 1.5% of average load 0.118195 LDB: TIME 9064.05 LOAD: AVG 0.118195 MAX 0.199938 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 9064.05 LOAD: AVG 0.118195 MAX 0.199938 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.75 MB LDB: TIME 9064.05 LOAD: AVG 0.118195 MAX 0.199938 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.75 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9064.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9064.06 PRESSURE: 3040400 298.173 -86.3334 -133.62 -86.3335 118.112 196.85 -133.621 196.85 320.255 GPRESSURE: 3040400 297.06 -9.58541 -24.6168 -72.1548 184.686 143.718 -170.266 261.783 363.816 PRESSAVG: 3040400 -4.36579 -6.53256 52.5323 -6.53258 25.1007 33.9957 52.5323 33.9957 -11.8585 GPRESSAVG: 3040400 -6.70281 -5.49569 48.4229 -6.51677 27.2037 34.3144 54.2263 34.7771 -12.1138 TIMING: 3040400 CPU: 9060.81, 0.00305568/step Wall: 9060.81, 0.00305568/step, 1.66331 hours remaining, 208.015625 MB of memory in use. ENERGY: 3040400 735.4385 2149.7919 1951.6433 108.0724 -206030.2810 17972.1534 0.0000 0.0000 34518.3660 -148594.8156 301.4575 -183113.1816 -148496.5408 300.6531 245.5134 281.8538 557131.2654 2.9588 2.7957 PRESSURE: 3040600 227.61 -119.793 -99.4585 -119.794 32.6221 70.0994 -99.4597 70.0988 -0.594581 GPRESSURE: 3040600 251.26 -173.414 -119.476 -197.519 72.8569 127.197 -164.838 -27.6819 48.834 PRESSAVG: 3040600 26.1762 -22.9083 -10.5938 -22.9083 0.656724 17.6249 -10.5937 17.6248 10.0509 GPRESSAVG: 3040600 26.6581 -22.9129 -9.28381 -24.0026 -0.182082 18.3936 -11.9183 16.1228 10.3512 TIMING: 3040600 CPU: 9061.41, 0.00300533/step Wall: 9061.41, 0.00300533/step, 1.63573 hours remaining, 208.218750 MB of memory in use. ENERGY: 3040600 772.2362 2138.9059 1960.3878 106.9665 -205842.7392 17779.8511 0.0000 0.0000 34539.9287 -148544.4631 301.6458 -183084.3918 -148443.3805 300.8247 86.5458 124.3169 557479.9118 12.2946 12.2757 PRESSURE: 3040800 -181.665 108.275 -112.425 108.276 -56.6341 41.3403 -112.426 41.3403 178.555 GPRESSURE: 3040800 -186.172 83.2561 -74.393 124.95 -17.3778 46.8951 13.5631 38.5183 242.874 PRESSAVG: 3040800 -80.0629 -2.91217 15.7619 -2.91224 -34.1121 -38.8218 15.7619 -38.8218 75.2932 GPRESSAVG: 3040800 -79.9568 -3.77674 16.6994 0.878611 -33.0725 -38.5334 16.6694 -38.5622 74.0264 TIMING: 3040800 CPU: 9062.01, 0.00297732/step Wall: 9062.01, 0.00297732/step, 1.62032 hours remaining, 208.218750 MB of memory in use. ENERGY: 3040800 754.8740 2147.0774 1965.3687 120.0724 -205812.8679 17687.9501 0.0000 0.0000 34384.6372 -148752.8880 300.2896 -183137.5252 -148658.0000 300.6420 -19.9146 13.1080 558331.4513 -12.9606 -13.0009 PRESSURE: 3041000 222.797 112.784 106.518 112.785 233.672 10.2265 106.518 10.2264 -151.879 GPRESSURE: 3041000 295.902 58.3461 124.273 115.771 263.757 -0.823625 90.6105 14.2728 -152.278 PRESSAVG: 3041000 12.4458 8.96842 -84.3572 8.96853 -9.69033 -32.7203 -84.3572 -32.7202 50.4232 GPRESSAVG: 3041000 12.6473 9.54999 -85.1721 8.57586 -10.4943 -33.3085 -84.826 -33.5564 50.366 TIMING: 3041000 CPU: 9062.6, 0.00297352/step Wall: 9062.6, 0.00297352/step, 1.61809 hours remaining, 208.324219 MB of memory in use. ENERGY: 3041000 692.5024 2174.3174 1944.0591 131.4005 -205988.6525 17836.0184 0.0000 0.0000 34368.1140 -148842.2406 300.1453 -183210.3546 -148739.7876 300.6106 101.5299 135.7937 557819.1159 17.7262 17.5063 PRESSURE: 3041200 -114.134 0.27563 22.6753 0.275017 -154.519 -11.505 22.6754 -11.5031 32.0031 GPRESSURE: 3041200 -88.4669 13.8527 -37.2229 -46.7169 -157.513 -55.6085 62.9501 -37.356 113.071 PRESSAVG: 3041200 -52.0638 -9.64317 27.7035 -9.64325 -58.9154 -36.2875 27.7035 -36.2873 89.3435 GPRESSAVG: 3041200 -52.2657 -8.61041 27.4857 -13.5569 -58.6687 -34.5128 26.7827 -36.3647 89.8346 TIMING: 3041200 CPU: 9063.2, 0.00297942/step Wall: 9063.2, 0.00297942/step, 1.62113 hours remaining, 208.324219 MB of memory in use. ENERGY: 3041200 761.0305 2096.1212 1931.5447 127.8495 -205713.7230 17647.2510 0.0000 0.0000 34222.4360 -148927.4901 298.8730 -183149.9260 -148827.2548 300.2333 -78.8833 -44.3030 559414.2667 -7.2119 -7.0333 PRESSURE: 3041400 -20.2118 -113.008 -56.059 -113.009 -265.585 113.092 -56.0597 113.09 31.9977 GPRESSURE: 3041400 -50.6824 -134.568 -38.5183 -110.96 -163.627 12.3743 -90.5368 152.705 69.1886 PRESSAVG: 3041400 -29.5504 -0.968884 16.9515 -0.969027 21.342 -5.49774 16.9515 -5.49776 36.2947 GPRESSAVG: 3041400 -28.2197 -3.99149 14.0807 1.47698 20.8158 -9.09894 20.3594 -3.35098 35.9653 TIMING: 3041400 CPU: 9063.79, 0.00295625/step Wall: 9063.79, 0.00295625/step, 1.60836 hours remaining, 208.324219 MB of memory in use. ENERGY: 3041400 716.6793 2164.8779 1937.8527 109.5819 -205638.7279 17510.1486 0.0000 0.0000 34438.4260 -148761.1615 300.7593 -183199.5875 -148668.0669 300.1486 -84.5998 -48.3738 558565.4359 9.3621 9.5205 PRESSURE: 3041600 -198.768 146.997 -12.8086 146.997 -218.168 9.98159 -12.8077 9.98263 -349.214 GPRESSURE: 3041600 -157.485 153.631 -53.5927 138.252 -212.777 -65.9188 -82.6203 110.201 -295.827 PRESSAVG: 3041600 -21.3801 13.4683 -47.1506 13.4683 -9.60613 11.5092 -47.1506 11.5092 26.5674 GPRESSAVG: 3041600 -22.2929 14.8255 -44.6767 13.3614 -9.8041 12.352 -47.005 11.9924 26.9707 TIMING: 3041600 CPU: 9064.38, 0.00296024/step Wall: 9064.38, 0.00296024/step, 1.61037 hours remaining, 208.324219 MB of memory in use. ENERGY: 3041600 747.5118 2057.1271 1956.6327 105.4019 -205331.2357 17416.3002 0.0000 0.0000 34386.0055 -148662.2565 300.3015 -183048.2620 -148565.5304 301.1263 -255.3835 -222.0296 560147.9612 -1.4729 -1.7088 PRESSURE: 3041800 -242.386 -51.0341 -22.9772 -51.0348 33.5368 47.5695 -22.9792 47.5708 -36.9824 GPRESSURE: 3041800 -232.338 -73.9163 -35.4718 -27.1244 87.8245 30.6746 8.22812 37.3882 -7.95293 PRESSAVG: 3041800 9.40381 32.9344 -22.2781 32.9344 10.7991 41.4873 -22.2781 41.4872 7.54844 GPRESSAVG: 3041800 8.87334 34.1743 -22.1873 33.2313 10.2151 43.095 -23.9206 40.4321 8.54301 TIMING: 3041800 CPU: 9064.97, 0.0029433/step Wall: 9064.97, 0.0029433/step, 1.60099 hours remaining, 208.324219 MB of memory in use. ENERGY: 3041800 757.7504 2084.7446 1914.3494 120.3626 -205542.8102 17526.3331 0.0000 0.0000 34274.4054 -148864.8646 299.3269 -183139.2700 -148770.7662 300.1450 -81.9439 -50.8220 559528.2706 9.2504 9.2105 PRESSURE: 3042000 31.9638 148.707 135.282 148.708 -146.547 75.7972 135.285 75.7984 108.633 GPRESSURE: 3042000 46.2298 122.797 136.121 129.463 -101.492 -50.6657 120.995 76.801 153.831 PRESSAVG: 3042000 6.54382 38.334 -9.20703 38.334 18.7992 21.0639 -9.20705 21.0639 -28.4083 GPRESSAVG: 3042000 6.7445 37.6638 -9.33355 39.7526 19.1643 19.2792 -9.05952 22.1549 -29.1652 TIMING: 3042000 CPU: 9065.55, 0.00292322/step Wall: 9065.55, 0.00292322/step, 1.58991 hours remaining, 208.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3042000 726.9050 2067.8325 1937.9909 105.1537 -205911.9386 17693.8419 0.0000 0.0000 34489.5550 -148890.6594 301.2059 -183380.2144 -148788.8676 299.7136 -1.9836 32.8562 557538.1299 -1.0218 -1.0855 PRESSURE: 3042200 -377.519 130.565 -42.3054 130.564 276.318 79.1116 -42.305 79.1095 142.283 GPRESSURE: 3042200 -269.208 123.178 -37.703 75.0212 207.097 113.633 -79.6898 38.6725 184.995 PRESSAVG: 3042200 -25.3352 24.2368 -79.6834 24.2368 19.1272 26.467 -79.6834 26.467 25.1727 GPRESSAVG: 3042200 -25.8463 25.5474 -80.6191 20.3915 18.5738 26.2581 -79.7545 24.1087 25.8968 TIMING: 3042200 CPU: 9066.14, 0.00295359/step Wall: 9066.14, 0.00295359/step, 1.60626 hours remaining, 208.324219 MB of memory in use. ENERGY: 3042200 752.2417 2056.9972 1916.5553 105.2320 -205857.3908 17733.2015 0.0000 0.0000 34316.5091 -148976.6541 299.6946 -183293.1632 -148878.9926 300.8796 13.6940 40.9615 557593.3316 6.3216 6.2081 PRESSURE: 3042400 189.231 50.0447 -98.0718 50.0447 -15.8797 -64.3264 -98.0715 -64.325 136.194 GPRESSURE: 3042400 217.694 89.617 -27.4355 -42.399 29.9209 -14.1583 -141.337 -40.0237 157.916 PRESSAVG: 3042400 -63.741 7.06144 -63.214 7.06143 32.5132 37.6054 -63.2142 37.6054 102.378 GPRESSAVG: 3042400 -64.5564 5.73134 -61.766 10.2281 33.6694 37.6157 -63.8834 38.1684 102.407 TIMING: 3042400 CPU: 9066.74, 0.00296214/step Wall: 9066.74, 0.00296214/step, 1.61074 hours remaining, 208.324219 MB of memory in use. ENERGY: 3042400 731.2480 2122.3397 1942.3025 117.9981 -206324.0165 17832.0390 0.0000 0.0000 34441.3072 -149136.7819 300.7845 -183578.0891 -149037.9170 300.6534 103.1817 135.1769 556200.6696 23.7167 23.8399 PRESSURE: 3042600 29.1604 58.6715 18.2059 58.6722 -7.09476 -47.7969 18.2062 -47.7973 106.694 GPRESSURE: 3042600 50.132 35.9298 38.447 91.2085 10.6923 -22.0127 36.5212 -157.532 171.214 PRESSAVG: 3042600 18.2369 0.197101 -12.1398 0.197123 -100.664 14.7673 -12.1397 14.7673 21.9784 GPRESSAVG: 3042600 18.1781 0.406661 -12.7399 -0.0410052 -101.39 14.4252 -12.3283 14.312 22.6877 TIMING: 3042600 CPU: 9067.33, 0.00296103/step Wall: 9067.33, 0.00296103/step, 1.60998 hours remaining, 208.324219 MB of memory in use. ENERGY: 3042600 744.4219 2068.2346 1950.5640 102.3391 -206272.3895 17982.5213 0.0000 0.0000 34258.0000 -149166.3086 299.1836 -183424.3086 -149071.3084 298.9650 42.9200 77.3461 557398.6424 -20.1495 -20.1747 PRESSURE: 3042800 -72.218 -40.6136 114.199 -40.6135 29.1307 -153.753 114.198 -153.754 187.026 GPRESSURE: 3042800 -30.8541 -55.7863 15.4473 32.7252 60.6929 -113.208 123.349 -175.474 218.504 PRESSAVG: 3042800 -18.598 44.4947 40.5365 44.4948 4.02766 -26.5385 40.5365 -26.5384 67.4823 GPRESSAVG: 3042800 -18.6989 42.7465 39.5918 43.8441 4.38486 -27.5423 41.6808 -23.5229 66.7459 TIMING: 3042800 CPU: 9067.92, 0.00295159/step Wall: 9067.92, 0.00295159/step, 1.60468 hours remaining, 208.324219 MB of memory in use. ENERGY: 3042800 727.0961 2071.5140 1928.0034 106.1373 -206264.6611 17829.8527 0.0000 0.0000 34320.0644 -149281.9932 299.7257 -183602.0575 -149187.8619 299.8671 47.9795 82.7808 556853.8290 17.6373 17.4773 PRESSURE: 3043000 -96.3565 -85.251 9.60582 -85.2515 -270.014 -134.999 9.60652 -134.998 -98.946 GPRESSURE: 3043000 -26.7496 -139.921 34.3743 -56.5042 -250.363 -64.7371 -9.30546 -177.073 -99.8855 PRESSAVG: 3043000 -3.90936 -61.586 36.171 -61.5859 24.696 6.61499 36.1711 6.61507 -3.12076 GPRESSAVG: 3043000 -4.41774 -60.306 36.9926 -63.4006 25.0913 7.9194 35.6976 5.55484 -3.04373 TIMING: 3043000 CPU: 9068.51, 0.00297108/step Wall: 9068.51, 0.00297108/step, 1.61511 hours remaining, 208.324219 MB of memory in use. ENERGY: 3043000 755.5814 2165.3419 1960.4845 126.7346 -206107.9923 17738.4969 0.0000 0.0000 34196.6324 -149164.7206 298.6477 -183361.3530 -149080.5151 299.4583 -155.1056 -125.6659 558661.9062 5.8886 5.8766 PRESSURE: 3043200 305.019 106.504 89.795 106.503 9.35601 19.2872 89.7939 19.2881 -199.031 GPRESSURE: 3043200 273.693 140.806 91.1516 28.5394 14.6078 17.4021 101.79 37.0283 -67.6571 PRESSAVG: 3043200 15.6403 -0.582045 42.1804 -0.582117 -56.7863 -48.3108 42.1805 -48.3108 59.1167 GPRESSAVG: 3043200 16.1847 -1.69424 43.0538 0.889774 -57.5914 -47.4042 42.8199 -49.3235 59.7989 TIMING: 3043200 CPU: 9069.11, 0.00296376/step Wall: 9069.11, 0.00296376/step, 1.61097 hours remaining, 208.324219 MB of memory in use. ENERGY: 3043200 711.4309 2066.7541 1953.9423 119.5829 -206120.7995 17825.0151 0.0000 0.0000 34249.7101 -149194.3641 299.1112 -183444.0742 -149094.0939 299.0531 38.4480 73.5480 557285.2149 5.9903 6.1307 PRESSURE: 3043400 -233.888 12.1162 -173.118 12.1166 -343.114 -101.73 -173.119 -101.731 -137.474 GPRESSURE: 3043400 -201.603 -6.17279 -170.1 0.651798 -292.026 -99.8634 -160.279 -175.404 -118.485 PRESSAVG: 3043400 -39.7796 21.4325 0.694001 21.4324 11.1331 -5.71261 0.694008 -5.71271 27.5685 GPRESSAVG: 3043400 -39.0371 21.1799 0.304768 21.1609 12.2584 -5.62614 -1.02398 -6.65608 26.2064 TIMING: 3043400 CPU: 9069.7, 0.00296712/step Wall: 9069.7, 0.00296712/step, 1.61263 hours remaining, 208.324219 MB of memory in use. ENERGY: 3043400 719.9798 2190.1316 1961.1585 104.3764 -205842.2417 17494.8766 0.0000 0.0000 34256.3162 -149115.4026 299.1689 -183371.7187 -149018.6727 299.8231 -238.1588 -204.0379 558855.1957 -0.3593 -0.1908 PRESSURE: 3043600 60.9661 -116.572 134.831 -116.572 19.2957 -8.87074 134.83 -8.87065 71.8722 GPRESSURE: 3043600 108.32 -134.017 130.41 -59.6853 0.0675647 -61.171 96.7698 5.42305 136.111 PRESSAVG: 3043600 12.7127 22.8993 -3.6323 22.8993 -30.9512 7.22024 -3.63222 7.22015 54.6448 GPRESSAVG: 3043600 12.5333 22.8974 -5.12754 22.801 -31.567 6.14097 -2.93891 6.61722 54.9379 TIMING: 3043600 CPU: 9070.29, 0.00294144/step Wall: 9070.29, 0.00294144/step, 1.59851 hours remaining, 208.324219 MB of memory in use. ENERGY: 3043600 699.8964 2115.3310 1941.4688 113.3924 -205862.1183 17701.4509 0.0000 0.0000 34113.9044 -149176.6744 297.9252 -183290.5788 -149079.3740 299.3617 50.7113 81.4996 556823.1061 12.1354 11.9681 PRESSURE: 3043800 -60.1393 -60.2941 -48.2483 -60.2953 84.3208 76.018 -48.2483 76.0163 -144.12 GPRESSURE: 3043800 -64.2207 -14.778 -68.2898 -106.383 143.845 44.7584 -70.2863 99.0583 -88.4618 PRESSAVG: 3043800 -12.0748 -37.7016 40.1621 -37.7016 10.1358 -28.7204 40.1621 -28.7205 -3.53437 GPRESSAVG: 3043800 -11.9581 -37.1749 41.4596 -38.3974 9.29171 -28.2566 39.2322 -27.4068 -3.1181 TIMING: 3043800 CPU: 9070.87, 0.0029321/step Wall: 9070.87, 0.0029321/step, 1.59327 hours remaining, 208.324219 MB of memory in use. ENERGY: 3043800 718.8147 2103.3250 1912.4155 126.5577 -205821.9075 17686.8318 0.0000 0.0000 34066.2862 -149207.6767 297.5094 -183273.9629 -149115.1262 298.8594 -39.9797 -2.9459 557622.0782 -1.8244 -1.9282 PRESSURE: 3044000 -101.483 -58.4248 -128.311 -58.4254 267.745 -73.7631 -128.311 -73.7645 57.6922 GPRESSURE: 3044000 -91.9643 -122.091 -251.241 5.24125 328.868 -42.7308 -50.0194 -145.256 89.7615 PRESSAVG: 3044000 46.5611 -19.7519 28.7786 -19.7518 28.0363 15.1661 28.7785 15.1661 -67.4737 GPRESSAVG: 3044000 45.1539 -20.8532 27.8257 -18.837 29.3803 14.4747 33.4351 16.5153 -67.6464 TIMING: 3044000 CPU: 9071.46, 0.00294274/step Wall: 9071.46, 0.00294274/step, 1.59889 hours remaining, 208.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3044000 726.0422 2009.9117 1915.9664 110.5252 -206384.3853 18104.8753 0.0000 0.0000 34396.4988 -149120.5656 300.3932 -183517.0645 -149019.3272 299.1807 74.6514 108.8883 558362.3314 2.3746 2.2959 PRESSURE: 3044200 -242.694 17.8073 52.2475 17.8071 -50.2444 20.7082 52.2486 20.7069 -459.428 GPRESSURE: 3044200 -282.493 33.4273 -37.1369 -41.7007 18.262 3.58809 127.068 -25.5823 -391.954 PRESSAVG: 3044200 102.4 12.6262 -19.3001 12.6262 -7.11817 18.7531 -19.3002 18.7531 -94.2703 GPRESSAVG: 3044200 102.777 13.8456 -20.4562 12.6045 -7.40469 18.0365 -21.0763 17.1005 -94.355 TIMING: 3044200 CPU: 9072.05, 0.00293464/step Wall: 9072.05, 0.00293464/step, 1.59432 hours remaining, 208.324219 MB of memory in use. ENERGY: 3044200 722.6237 2134.4151 1934.0560 104.3162 -205646.4972 17340.2665 0.0000 0.0000 34179.5640 -149231.2557 298.4986 -183410.8197 -149125.1291 299.6552 -250.7886 -218.7282 559012.8003 0.3372 0.3391 LDB: ============= START OF LOAD BALANCING ============== 9075.59 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9075.59 LDB: =============== DONE WITH MIGRATION ================ 9075.59 LDB: ============= START OF LOAD BALANCING ============== 9075.89 LDB: Largest compute 4796 load 0.026024 is 22.0% of average load 0.118236 LDB: Average compute 0.001737 is 1.5% of average load 0.118236 LDB: TIME 9075.89 LOAD: AVG 0.118236 MAX 0.197646 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.012 MB LDB: TIME 9075.89 LOAD: AVG 0.118236 MAX 0.197646 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.016 MB LDB: TIME 9075.89 LOAD: AVG 0.118236 MAX 0.197646 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.016 MB LDB: ============== END OF LOAD BALANCING =============== 9075.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9075.9 PRESSURE: 3044400 -63.532 58.7622 -32.1176 58.7614 -2.16154 30.9178 -32.1175 30.9186 0.215098 GPRESSURE: 3044400 -69.0996 13.2818 -135.976 55.4933 33.2224 100.188 131.125 43.5894 64.1971 PRESSAVG: 3044400 15.2117 -1.0641 -30.3854 -1.06413 -2.64941 -10.4364 -30.3854 -10.4364 -14.6378 GPRESSAVG: 3044400 14.9294 -2.26537 -29.1606 -1.12991 -2.8746 -8.88213 -30.466 -10.9323 -15.0353 TIMING: 3044400 CPU: 9072.65, 0.00300376/step Wall: 9072.65, 0.00300376/step, 1.63171 hours remaining, 206.535156 MB of memory in use. ENERGY: 3044400 766.8457 2095.7438 1910.9516 108.6890 -206214.0884 17814.1669 0.0000 0.0000 34129.3865 -149388.3049 298.0604 -183517.6914 -149296.9393 299.3903 -21.8261 9.4400 557475.2959 -0.6919 -0.9935 PRESSURE: 3044600 88.4766 31.578 22.608 31.5782 -252.973 -41.0172 22.6083 -41.0159 -160.306 GPRESSURE: 3044600 101.326 73.0364 -57.1708 -44.3526 -186.932 -97.527 -16.2695 -4.47296 -117.06 PRESSAVG: 3044600 2.33504 -27.9448 -16.4293 -27.9447 56.0133 -14.3027 -16.4294 -14.3028 -32.6685 GPRESSAVG: 3044600 2.13234 -27.4954 -15.431 -28.4629 56.0349 -17.4084 -17.3075 -11.8001 -32.627 TIMING: 3044600 CPU: 9073.24, 0.00295566/step Wall: 9073.24, 0.00295566/step, 1.60541 hours remaining, 206.574219 MB of memory in use. ENERGY: 3044600 750.2133 2035.0677 1927.0572 125.7060 -206120.1403 17730.4980 0.0000 0.0000 34316.3907 -149235.2074 299.6936 -183551.5981 -149142.0908 299.4828 -108.2675 -67.5556 558662.8270 8.5600 8.5134 PRESSURE: 3044800 71.599 12.3291 -14.7965 12.3305 177.566 -63.9752 -14.7946 -63.9752 115.892 GPRESSURE: 3044800 107.082 110.954 -71.8384 -70.0442 216.763 -53.3139 -55.0949 -63.1716 133.231 PRESSAVG: 3044800 5.99731 -49.0993 -38.6693 -49.0993 -15.2844 9.74494 -38.6694 9.74503 -14.4948 GPRESSAVG: 3044800 7.43435 -48.9928 -39.4548 -48.0817 -16.4713 11.7367 -39.9682 8.41068 -14.8439 TIMING: 3044800 CPU: 9073.83, 0.00295239/step Wall: 9073.83, 0.00295239/step, 1.60348 hours remaining, 206.574219 MB of memory in use. ENERGY: 3044800 768.5793 2020.8250 1913.9041 110.4498 -206296.2380 18020.3582 0.0000 0.0000 34405.2692 -149056.8523 300.4698 -183462.1215 -148954.1457 299.5953 121.6858 152.3587 556920.4019 -7.9273 -7.9603 PRESSURE: 3045000 -72.143 26.197 31.8672 26.1979 -299.207 151.473 31.8673 151.473 -50.1979 GPRESSURE: 3045000 -7.62928 45.5934 83.9843 18.047 -300.396 129.036 0.702449 170.024 -10.487 PRESSAVG: 3045000 -11.4726 12.9289 37.6943 12.9289 47.3381 54.3502 37.6943 54.3502 -52.4453 GPRESSAVG: 3045000 -12.5906 11.4668 38.0963 13.2074 48.2445 55.0594 39.0825 55.5766 -52.6579 TIMING: 3045000 CPU: 9074.43, 0.00298482/step Wall: 9074.43, 0.00298482/step, 1.62092 hours remaining, 206.574219 MB of memory in use. ENERGY: 3045000 739.1083 2095.1415 1960.3967 112.7848 -205707.2142 17480.1626 0.0000 0.0000 34269.4548 -149050.1655 299.2837 -183319.6203 -148951.2231 299.6232 -140.5160 -106.1709 558778.5163 -5.5266 -5.6680 PRESSURE: 3045200 -26.8292 -62.8706 219.082 -62.87 -252.938 126.489 219.082 126.488 -141.295 GPRESSURE: 3045200 5.85028 -20.8311 211.376 -127.479 -234.702 177.692 226.517 148.372 -90.6678 PRESSAVG: 3045200 54.3143 12.4188 1.16239 12.4189 -11.6403 -5.9591 1.1624 -5.9591 -34.7991 GPRESSAVG: 3045200 54.8761 14.0649 0.2901 12.6781 -12.3937 -6.23123 3.30531 -7.89317 -34.4526 TIMING: 3045200 CPU: 9075.02, 0.00295205/step Wall: 9075.02, 0.00295205/step, 1.60296 hours remaining, 206.574219 MB of memory in use. ENERGY: 3045200 728.3560 2097.5751 1933.2073 104.8423 -205647.9606 17531.0703 0.0000 0.0000 34095.1777 -149157.7319 297.7617 -183252.9096 -149062.1251 299.0049 -140.3543 -106.5063 558812.0578 2.6250 2.6766 PRESSURE: 3045400 -105.644 -212.754 -144.578 -212.754 -198.252 -19.2783 -144.58 -19.2782 -190.648 GPRESSURE: 3045400 -99.3772 -137.016 -149.955 -299.638 -113.989 -30.8521 -124.634 -44.7543 -167.896 PRESSAVG: 3045400 -26.3892 -18.0045 -0.227978 -18.0045 26.8546 -11.32 -0.228011 -11.3199 -14.6364 GPRESSAVG: 3045400 -27.4035 -19.0287 0.14339 -17.2822 28.1098 -13.1813 -0.780948 -11.0235 -14.6613 TIMING: 3045400 CPU: 9075.61, 0.00295004/step Wall: 9075.61, 0.00295004/step, 1.60171 hours remaining, 206.574219 MB of memory in use. ENERGY: 3045400 794.6907 2086.7816 1935.8646 124.5716 -206101.0660 17730.9827 0.0000 0.0000 34251.3097 -149176.8651 299.1252 -183428.1748 -149085.0207 299.1048 -164.8482 -127.0876 558601.7543 -4.7237 -4.6517 PRESSURE: 3045600 -253.629 -5.63818 -85.0854 -5.63937 -83.8268 130.837 -85.0855 130.836 -141.738 GPRESSURE: 3045600 -197.656 -26.638 -111.023 40.2016 -81.3694 117.598 -139.513 177.402 -94.8581 PRESSAVG: 3045600 -4.89045 -79.1063 -15.5997 -79.1064 17.9819 -16.1654 -15.5997 -16.1654 -18.6166 GPRESSAVG: 3045600 -4.0798 -77.9716 -15.2213 -79.0015 16.9257 -14.5038 -16.2632 -14.9466 -18.372 TIMING: 3045600 CPU: 9076.2, 0.00294752/step Wall: 9076.2, 0.00294752/step, 1.60018 hours remaining, 206.574219 MB of memory in use. ENERGY: 3045600 742.6820 2085.9281 1945.4753 99.9569 -205842.0929 17566.3097 0.0000 0.0000 34309.2796 -149092.4613 299.6315 -183401.7409 -148993.7021 299.6628 -159.7312 -124.6278 557349.3816 -1.8417 -1.8420 PRESSURE: 3045800 -297.551 10.1605 92.0153 10.1608 -100.9 -94.1796 92.0157 -94.1795 80.1676 GPRESSURE: 3045800 -269.501 33.0607 115.055 -35.0395 -14.0439 -77.2324 73.2623 -112.626 64.8459 PRESSAVG: 3045800 3.43518 -14.5379 -66.2501 -14.5379 14.7458 61.8628 -66.2501 61.8628 -25.1195 GPRESSAVG: 3045800 4.2346 -14.0593 -66.5065 -17.4622 14.8508 61.0377 -64.173 60.5009 -25.706 TIMING: 3045800 CPU: 9076.78, 0.00293173/step Wall: 9076.78, 0.00293173/step, 1.59144 hours remaining, 206.808594 MB of memory in use. ENERGY: 3045800 732.7994 2094.1058 1937.8163 114.7887 -205672.8816 17553.4207 0.0000 0.0000 34019.3711 -149220.5796 297.0996 -183239.9507 -149123.9421 299.1845 -106.0942 -72.8996 556507.6871 -2.3128 -2.2069 PRESSURE: 3046000 274.387 -24.9968 187.096 -24.9964 97.0997 75.3056 187.096 75.3056 33.0641 GPRESSURE: 3046000 267.223 -3.18767 142.411 -60.7144 88.3657 206.623 167.868 38.685 145.849 PRESSAVG: 3046000 -13.2586 4.03374 2.19145 4.03371 20.1369 56.9522 2.19142 56.9521 8.77323 GPRESSAVG: 3046000 -14.2786 2.80485 2.78129 5.64061 19.8176 56.778 0.654559 58.5466 9.85429 TIMING: 3046000 CPU: 9077.38, 0.00297634/step Wall: 9077.38, 0.00297634/step, 1.61549 hours remaining, 206.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3046000 776.7274 2069.5459 1926.2462 99.1467 -206518.0150 18065.6563 0.0000 0.0000 34381.9359 -149198.7568 300.2660 -183580.6926 -149102.0143 299.0331 134.8503 167.1459 555854.3309 5.2172 5.1311 PRESSURE: 3046200 60.6325 99.2657 22.7774 99.2659 14.7071 105.688 22.7761 105.689 13.5979 GPRESSURE: 3046200 137.491 20.1518 35.1253 129.73 41.133 148.412 -21.0214 26.8562 1.74709 PRESSAVG: 3046200 -2.17977 23.824 -38.8002 23.824 19.0551 57.1777 -38.8003 57.1777 -2.88887 GPRESSAVG: 3046200 -1.90273 24.0473 -38.4196 23.834 19.2664 56.4545 -38.6146 55.8862 -3.71441 TIMING: 3046200 CPU: 9077.98, 0.00299047/step Wall: 9077.98, 0.00299047/step, 1.62299 hours remaining, 206.808594 MB of memory in use. ENERGY: 3046200 714.8241 2077.4349 1911.8285 97.2921 -205876.7932 17831.7773 0.0000 0.0000 34142.7078 -149100.9285 298.1768 -183243.6362 -149012.1782 298.9317 29.6458 60.1236 558548.9820 4.6621 4.5498 PRESSURE: 3046400 -85.1814 23.7457 20.4418 23.7463 100.502 110.441 20.4417 110.439 -162.386 GPRESSURE: 3046400 -43.1745 52.6935 21.6802 15.4808 134.307 70.8109 -48.8059 76.4434 -138.107 PRESSAVG: 3046400 7.03241 7.83732 -40.7225 7.8374 20.5024 37.6522 -40.7225 37.6521 -14.3101 GPRESSAVG: 3046400 6.30715 9.61057 -39.1543 7.50916 20.7745 38.4841 -41.289 35.5937 -13.9606 TIMING: 3046400 CPU: 9078.58, 0.00301777/step Wall: 9078.58, 0.00301777/step, 1.63765 hours remaining, 206.808594 MB of memory in use. ENERGY: 3046400 717.5456 2051.6979 1945.9042 109.5427 -205977.0557 17558.8615 0.0000 0.0000 34278.1545 -149315.3494 299.3596 -183593.5039 -149222.7685 299.2184 -49.0221 -15.6584 556843.9858 4.4082 4.3737 PRESSURE: 3046600 -292.941 -15.1299 -74.1255 -15.1307 -267.131 -116.044 -74.1263 -116.044 -110.457 GPRESSURE: 3046600 -227.912 -96.5871 -97.861 -18.7796 -195.986 -64.8793 -61.0451 -186.922 -150.594 PRESSAVG: 3046600 2.53015 -21.5445 -73.2865 -21.5444 43.1717 -3.80732 -73.2866 -3.80726 -16.5434 GPRESSAVG: 3046600 4.56053 -20.9841 -75.7833 -22.0313 42.3167 -1.30568 -72.9232 -2.45028 -17.775 TIMING: 3046600 CPU: 9079.18, 0.00298616/step Wall: 9079.18, 0.00298616/step, 1.62033 hours remaining, 206.808594 MB of memory in use. ENERGY: 3046600 767.3329 2065.7870 1938.6998 106.4502 -206093.9031 17547.3431 0.0000 0.0000 34302.0231 -149366.2672 299.5681 -183668.2902 -149269.0478 299.0494 -223.5094 -191.4974 557896.7901 9.7195 9.7007 PRESSURE: 3046800 -113.635 -103.744 238.907 -103.743 -136.555 33.8411 238.908 33.8413 120.054 GPRESSURE: 3046800 -90.273 -128.593 211.558 -134.883 -136.679 28.2912 194.292 59.3001 202.765 PRESSAVG: 3046800 24.0487 34.2466 -29.6737 34.2465 -20.1475 -52.5732 -29.6737 -52.5732 20.3303 GPRESSAVG: 3046800 22.2124 32.4473 -27.9595 35.5946 -19.2507 -55.4541 -29.3433 -51.7961 20.9559 TIMING: 3046800 CPU: 9079.77, 0.00293325/step Wall: 9079.77, 0.00293325/step, 1.59145 hours remaining, 206.808594 MB of memory in use. ENERGY: 3046800 764.6392 2077.4348 1930.1431 122.4396 -206426.9101 17820.4905 0.0000 0.0000 34272.9145 -149438.8484 299.3139 -183711.7629 -149345.6172 299.3778 -43.3786 -8.0622 556898.9792 8.0771 7.9726 PRESSURE: 3047000 121.663 119.396 -9.76876 119.397 -63.5586 49.1793 -9.76883 49.1794 82.6697 GPRESSURE: 3047000 164.321 36.9544 -85.174 81.2855 -78.1629 72.6618 35.3074 36.2473 143.857 PRESSAVG: 3047000 12.08 -26.8526 14.6359 -26.8525 -44.4376 -8.45566 14.6359 -8.45571 -3.21231 GPRESSAVG: 3047000 12.9321 -25.5637 13.4751 -27.1884 -45.7424 -8.32907 14.2181 -8.59634 -3.0798 TIMING: 3047000 CPU: 9080.35, 0.00291764/step Wall: 9080.35, 0.00291764/step, 1.58282 hours remaining, 206.808594 MB of memory in use. ENERGY: 3047000 780.2957 2137.7496 1933.2053 132.5622 -206827.7665 17917.1008 0.0000 0.0000 34395.5757 -149531.2772 300.3851 -183926.8529 -149436.3268 299.3077 46.9248 76.6717 554739.9198 -11.8566 -11.9634 PRESSURE: 3047200 -74.277 81.8209 93.5663 81.8194 -206.317 26.4211 93.5663 26.4196 -0.480101 GPRESSURE: 3047200 -38.2767 72.4775 153.447 157.603 -195.914 29.2441 87.7959 -51.8136 50.2987 PRESSAVG: 3047200 41.4174 -20.5924 9.80825 -20.5924 -85.856 20.6131 9.80832 20.613 112.019 GPRESSAVG: 3047200 40.878 -21.1029 11.5051 -20.1105 -83.7523 19.8083 9.13802 21.1859 110.825 TIMING: 3047200 CPU: 9080.94, 0.00292884/step Wall: 9080.94, 0.00292884/step, 1.58873 hours remaining, 206.808594 MB of memory in use. ENERGY: 3047200 701.2460 2090.5790 1949.6889 115.2140 -206390.6546 17683.1136 0.0000 0.0000 34165.7338 -149685.0792 298.3779 -183850.8130 -149587.5513 298.5815 -93.6912 -61.2975 557379.4705 22.5269 22.6502 PRESSURE: 3047400 -220.831 145.735 15.5934 145.735 -368.133 -126.407 15.5942 -126.406 176.267 GPRESSURE: 3047400 -168.062 143.862 44.4893 126.562 -320.766 -113.811 -82.886 0.382626 172.263 PRESSAVG: 3047400 8.3777 45.4904 -4.49227 45.4905 -75.2486 57.3901 -4.4923 57.3901 76.0185 GPRESSAVG: 3047400 7.46946 46.0477 -5.70333 44.9479 -75.0942 59.0304 -4.34662 57.465 76.0639 TIMING: 3047400 CPU: 9081.52, 0.00293326/step Wall: 9081.52, 0.00293326/step, 1.59097 hours remaining, 206.808594 MB of memory in use. ENERGY: 3047400 743.4911 2146.7053 1952.3927 114.3316 -206030.2178 17486.7693 0.0000 0.0000 34005.5252 -149581.0027 296.9787 -183586.5279 -149486.3222 298.3588 -137.5659 -105.5217 558619.3909 3.0492 2.8130 PRESSURE: 3047600 30.595 -81.3548 70.0458 -81.3548 -182.991 -141.274 70.0464 -141.272 11.2321 GPRESSURE: 3047600 27.8585 -140.254 46.1163 -76.0237 -106.87 -60.6605 57.8701 -182.197 36.4816 PRESSAVG: 3047600 80.5685 9.38405 -0.0793177 9.38399 -17.054 40.4393 -0.0793556 40.4392 -24.5103 GPRESSAVG: 3047600 80.5248 7.03933 -1.72741 10.744 -17.1477 40.1238 0.565743 40.4754 -24.5888 TIMING: 3047600 CPU: 9082.11, 0.00294119/step Wall: 9082.11, 0.00294119/step, 1.59511 hours remaining, 206.808594 MB of memory in use. ENERGY: 3047600 728.7393 2077.5515 1941.8171 107.2404 -206431.5865 17912.1310 0.0000 0.0000 34075.5685 -149588.5387 297.5904 -183664.1072 -149487.0711 298.2883 -47.0547 -14.1765 558691.4630 13.0014 12.9294 PRESSURE: 3047800 -266.803 -181.511 -163.79 -181.511 27.0597 67.1026 -163.79 67.1023 -138.586 GPRESSURE: 3047800 -231.062 -152.823 -162.581 -234.703 49.9312 115.886 -132.503 121.874 -91.503 PRESSAVG: 3047800 15.9559 -31.7709 -7.91055 -31.7709 -3.45073 7.0281 -7.91053 7.02815 -8.14879 GPRESSAVG: 3047800 16.284 -31.851 -6.28265 -31.0564 -3.67568 7.99988 -8.23756 6.2936 -8.44404 TIMING: 3047800 CPU: 9082.7, 0.0029394/step Wall: 9082.7, 0.0029394/step, 1.59397 hours remaining, 206.808594 MB of memory in use. ENERGY: 3047800 742.2929 2057.0821 1949.1807 110.3973 -206346.7377 17809.6600 0.0000 0.0000 34094.5770 -149583.5477 297.7564 -183678.1247 -149492.5979 297.7672 -126.1098 -90.8779 557548.5220 1.4521 1.3881 PRESSURE: 3048000 22.8436 5.24458 77.3912 5.24443 163.121 68.0044 77.3906 68.0041 -70.0964 GPRESSURE: 3048000 79.9933 -29.9964 45.886 18.4132 152.52 74.5324 18.1602 71.9368 -15.8935 PRESSAVG: 3048000 -59.3957 -0.555948 9.28185 -0.555894 80.2183 60.5944 9.28177 60.5945 -14.7952 GPRESSAVG: 3048000 -58.3536 1.89195 8.6726 -2.90473 78.7477 60.6694 7.64066 61.3523 -14.5311 TIMING: 3048000 CPU: 9083.29, 0.00297559/step Wall: 9083.29, 0.00297559/step, 1.61343 hours remaining, 206.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3048000 729.7681 2083.3613 1956.1935 106.6673 -206267.4599 17783.1175 0.0000 0.0000 34238.1368 -149370.2153 299.0102 -183608.3521 -149276.3092 298.3516 38.6226 72.2067 557627.7669 2.0091 1.9543 PRESSURE: 3048200 145.365 11.7306 16.3871 11.7313 -84.4254 -36.7134 16.3862 -36.7119 -5.48104 GPRESSURE: 3048200 160.436 18.785 51.0655 47.1187 12.3177 -89.3629 -55.5705 4.73491 -9.98767 PRESSAVG: 3048200 -11.7233 -10.0234 14.2957 -10.0234 57.1339 3.08657 14.2957 3.0867 -33.0405 GPRESSAVG: 3048200 -13.0756 -11.3426 13.1538 -9.06543 57.4967 4.15895 14.8401 1.90935 -32.2074 TIMING: 3048200 CPU: 9083.89, 0.00298152/step Wall: 9083.89, 0.00298152/step, 1.61648 hours remaining, 206.808594 MB of memory in use. ENERGY: 3048200 755.3818 2069.8398 1928.9962 94.9974 -206481.7096 18064.6670 0.0000 0.0000 34236.8385 -149330.9889 298.9988 -183567.8274 -149235.5103 299.4744 18.4863 54.2555 559378.7384 4.1234 4.0712 LDB: ============= START OF LOAD BALANCING ============== 9087.44 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9087.44 LDB: =============== DONE WITH MIGRATION ================ 9087.44 LDB: ============= START OF LOAD BALANCING ============== 9087.74 LDB: Largest compute 4796 load 0.026194 is 22.2% of average load 0.118171 LDB: Average compute 0.001745 is 1.5% of average load 0.118171 LDB: TIME 9087.74 LOAD: AVG 0.118171 MAX 0.198261 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.535 MB LDB: TIME 9087.74 LOAD: AVG 0.118171 MAX 0.198261 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.535 MB LDB: TIME 9087.74 LOAD: AVG 0.118171 MAX 0.198261 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.535 MB LDB: ============== END OF LOAD BALANCING =============== 9087.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9087.75 PRESSURE: 3048400 -131.588 169.452 -85.7273 169.452 -199.654 -4.8483 -85.7264 -4.84743 -107.715 GPRESSURE: 3048400 -143.889 68.0249 -36.0535 191.5 -86.2522 46.3894 -158.806 -71.6554 -105.418 PRESSAVG: 3048400 43.7934 13.9029 -47.0158 13.9029 43.5829 0.0389008 -47.0159 0.0388968 -70.2074 GPRESSAVG: 3048400 44.6384 11.8279 -45.1308 15.2747 43.8526 -3.95871 -48.3544 1.73479 -71.4385 TIMING: 3048400 CPU: 9084.5, 0.00303697/step Wall: 9084.5, 0.00303697/step, 1.64638 hours remaining, 207.816406 MB of memory in use. ENERGY: 3048400 712.5167 2069.8829 1940.0868 111.8411 -205945.8467 17644.8535 0.0000 0.0000 34208.0129 -149258.6527 298.7471 -183466.6656 -149164.8268 299.4929 -146.3189 -111.8530 558354.9489 5.7229 5.6842 PRESSURE: 3048600 -151.448 21.0443 73.8829 21.0445 218.066 -112.722 73.8828 -112.722 -28.7509 GPRESSURE: 3048600 -115.388 53.5075 140.433 -26.2708 242.816 -153.482 93.1399 -63.3586 25.5749 PRESSAVG: 3048600 -46.5619 7.42695 -17.8954 7.42691 40.9408 -17.685 -17.8954 -17.6851 -12.6808 GPRESSAVG: 3048600 -48.3004 10.6339 -17.7533 5.39272 40.8899 -15.7545 -16.5852 -18.9044 -11.1829 TIMING: 3048600 CPU: 9085.09, 0.00298062/step Wall: 9085.09, 0.00298062/step, 1.61566 hours remaining, 207.816406 MB of memory in use. ENERGY: 3048600 740.6163 2062.9239 1965.3727 113.3849 -206458.0023 17853.6906 0.0000 0.0000 34431.8075 -149290.2065 300.7015 -183722.0140 -149195.4962 298.6528 12.6223 51.0008 557515.5453 -6.1006 -6.1978 PRESSURE: 3048800 -241.585 12.1518 -122.515 12.1495 13.3345 -57.8823 -122.516 -57.884 -222.319 GPRESSURE: 3048800 -174.294 90.9861 -113.934 -12.3937 54.5374 -11.6049 -76.3643 -40.4454 -227.353 PRESSAVG: 3048800 -57.3618 -21.3868 -24.562 -21.3868 85.8405 -30.7385 -24.5619 -30.7386 -49.9456 GPRESSAVG: 3048800 -56.4842 -20.8489 -25.7097 -22.3686 86.6878 -31.5922 -22.7635 -29.318 -51.8852 TIMING: 3048800 CPU: 9085.69, 0.00296519/step Wall: 9085.69, 0.00296519/step, 1.60714 hours remaining, 207.816406 MB of memory in use. ENERGY: 3048800 757.7501 2063.0084 1934.0190 110.3979 -206053.7322 17483.8254 0.0000 0.0000 34259.7377 -149444.9938 299.1988 -183704.7315 -149355.3193 299.2251 -150.1897 -115.7033 556293.3569 -7.1556 -7.2272 PRESSURE: 3049000 -92.6017 -63.1977 132.422 -63.1974 -188.916 107.646 132.422 107.645 -277.728 GPRESSURE: 3049000 -85.824 -108.349 89.7822 10.576 -133.778 105.41 52.2993 65.3716 -244.288 PRESSAVG: 3049000 8.87914 -32.8323 -41.9142 -32.8323 4.7516 -1.77456 -41.9142 -1.77462 1.95235 GPRESSAVG: 3049000 9.77548 -34.6294 -41.414 -31.5968 3.75928 -0.883389 -43.9044 -2.83635 2.06221 TIMING: 3049000 CPU: 9086.28, 0.00295128/step Wall: 9086.28, 0.00295128/step, 1.59943 hours remaining, 207.816406 MB of memory in use. ENERGY: 3049000 704.6722 2081.9027 1975.0185 118.5134 -205983.8963 17467.6832 0.0000 0.0000 34219.9383 -149416.1678 298.8512 -183636.1061 -149319.1410 298.0669 -186.4154 -154.6297 557207.2085 5.1944 5.1990 PRESSURE: 3049200 29.0669 -176.622 -15.5489 -176.622 113.602 17.4704 -15.5483 17.4679 38.6551 GPRESSURE: 3049200 82.2026 -189.285 13.0974 -191.716 113.314 -19.0298 -49.3377 -33.8156 75.8911 PRESSAVG: 3049200 -7.99462 -11.3686 21.2595 -11.3686 -26.0873 -5.86769 21.2597 -5.86769 22.5431 GPRESSAVG: 3049200 -7.7322 -11.3114 21.6706 -11.7929 -26.333 -5.81861 19.5675 -5.63512 22.2201 TIMING: 3049200 CPU: 9086.86, 0.00293399/step Wall: 9086.86, 0.00293399/step, 1.58989 hours remaining, 207.816406 MB of memory in use. ENERGY: 3049200 727.5680 2055.9201 1938.8669 104.9987 -206145.0751 17855.7162 0.0000 0.0000 34198.6313 -149263.3739 298.6652 -183462.0052 -149167.1930 298.7584 60.4412 90.4692 556551.1794 -3.8463 -3.9484 PRESSURE: 3049400 -158.286 -97.7407 15.0569 -97.7403 -342.322 81.3761 15.057 81.3753 -271.448 GPRESSURE: 3049400 -161.674 -26.0293 1.45497 -145.91 -293.369 132.244 -7.61627 37.7496 -214.126 PRESSAVG: 3049400 19.8087 -7.28099 -19.6161 -7.28095 -2.21568 21.8293 -19.6162 21.8292 -28.9568 GPRESSAVG: 3049400 19.1939 -6.93412 -20.1689 -8.18261 -2.62724 20.6418 -16.8329 21.039 -27.9587 TIMING: 3049400 CPU: 9087.45, 0.00295468/step Wall: 9087.45, 0.00295468/step, 1.60095 hours remaining, 207.816406 MB of memory in use. ENERGY: 3049400 751.5420 2088.2213 1909.8587 102.9944 -205737.5279 17432.5623 0.0000 0.0000 34305.0197 -149147.3295 299.5943 -183452.3492 -149050.8223 300.0122 -257.3520 -223.0565 558216.7641 -3.7879 -3.7973 PRESSURE: 3049600 94.4786 -4.46734 16.718 -4.4676 -118.211 113.094 16.7159 113.095 -58.7092 GPRESSURE: 3049600 65.7396 -81.8587 -13.768 5.09083 -52.6615 156.182 23.5782 83.9943 -8.57666 PRESSAVG: 3049600 40.69 -4.15821 -0.525112 -4.15817 13.9632 91.6929 -0.525055 91.6929 -37.0825 GPRESSAVG: 3049600 40.5869 -2.34619 -0.783456 -3.55446 14.8777 93.158 -1.17413 91.4112 -37.7982 TIMING: 3049600 CPU: 9088.05, 0.00296692/step Wall: 9088.05, 0.00296692/step, 1.60741 hours remaining, 207.816406 MB of memory in use. ENERGY: 3049600 762.0234 2093.5120 1944.6469 105.8388 -206041.1724 17775.6926 0.0000 0.0000 34165.7196 -149193.7390 298.3777 -183359.4586 -149098.9957 299.3869 -27.4805 1.5005 557106.7994 5.8569 5.8888 PRESSURE: 3049800 116.721 156.97 -329.971 156.969 109.277 24.521 -329.971 24.5192 -44.8669 GPRESSURE: 3049800 94.5901 140.784 -380.214 200.648 100.765 85.6692 -269.507 39.4269 78.3344 PRESSAVG: 3049800 40.097 19.6405 -5.12959 19.6405 17.2913 29.49 -5.12964 29.4897 -10.7394 GPRESSAVG: 3049800 39.9011 18.2678 -5.61358 20.7886 16.8173 30.2489 -6.78086 30.981 -9.9246 TIMING: 3049800 CPU: 9088.64, 0.00294783/step Wall: 9088.64, 0.00294783/step, 1.59691 hours remaining, 207.816406 MB of memory in use. ENERGY: 3049800 690.7909 2045.6018 1936.0796 107.4786 -206185.9926 17928.0664 0.0000 0.0000 34217.8175 -149260.1578 298.8327 -183477.9753 -149168.7545 299.7519 60.3771 91.2298 557074.2246 15.5496 15.5979 PRESSURE: 3050000 -35.1486 -70.5322 -157.927 -70.5311 -208.53 -15.6912 -157.928 -15.6904 -346.078 GPRESSURE: 3050000 9.41866 -127.243 -187.42 -4.80227 -211.981 93.8567 -223.376 -27.2877 -288.79 PRESSAVG: 3050000 34.5043 18.5248 -1.74042 18.5248 -32.2069 -3.19757 -1.74046 -3.19761 -16.5988 GPRESSAVG: 3050000 34.6807 18.8856 -1.17174 19.3147 -33.0562 -1.8307 -2.67118 -3.1786 -16.4919 TIMING: 3050000 CPU: 9089.22, 0.00294068/step Wall: 9089.22, 0.00294068/step, 1.59287 hours remaining, 207.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3050000 715.9591 2087.7559 1950.6354 111.1093 -205888.8671 17636.6558 0.0000 0.0000 34149.0004 -149237.7513 298.2317 -183386.7517 -149144.6503 299.0304 -196.5855 -163.7840 558099.0504 -4.7671 -4.9558 PRESSURE: 3050200 -199.277 -69.257 -208.33 -69.2584 -83.7987 107.009 -208.33 107.009 -114.888 GPRESSURE: 3050200 -206.754 -32.4514 -179.808 -10.5877 -22.8581 140.132 -219.2 54.4254 -85.6507 PRESSAVG: 3050200 9.0399 -9.04779 -29.8252 -9.04772 -18.8333 35.7827 -29.8252 35.7827 18.2067 GPRESSAVG: 3050200 9.26801 -6.92721 -29.3136 -11.4743 -18.5355 32.4568 -25.078 36.6306 17.7321 TIMING: 3050200 CPU: 9089.81, 0.00293252/step Wall: 9089.81, 0.00293252/step, 1.58829 hours remaining, 207.816406 MB of memory in use. ENERGY: 3050200 782.6430 2081.7795 1945.2681 123.8013 -206153.8551 17679.3846 0.0000 0.0000 34466.0309 -149074.9476 301.0004 -183540.9786 -148977.3358 299.1741 -132.6546 -105.0876 557203.9182 2.8044 2.8215 PRESSURE: 3050400 123.028 -150.465 -69.0885 -150.466 -82.9855 -27.8557 -69.0895 -27.8553 129.284 GPRESSURE: 3050400 195.16 -131.353 -40.5701 -177.733 -36.6132 -6.38562 -83.2279 -42.7038 108.907 PRESSAVG: 3050400 14.4372 -22.2529 -40.0139 -22.253 -1.86336 6.33852 -40.0138 6.33862 3.74133 GPRESSAVG: 3050400 14.553 -22.7062 -41.202 -20.3071 -1.63698 7.91312 -41.6892 5.92651 3.38201 TIMING: 3050400 CPU: 9090.41, 0.00296813/step Wall: 9090.41, 0.00296813/step, 1.60741 hours remaining, 207.816406 MB of memory in use. ENERGY: 3050400 756.9829 2074.7699 1955.1488 108.6329 -206440.3299 18181.1512 0.0000 0.0000 34222.1965 -149141.4479 298.8710 -183363.6443 -149048.1563 299.4228 56.4421 89.1515 557852.3305 5.4384 5.4327 PRESSURE: 3050600 99.8458 17.0887 -28.5574 17.0895 70.9659 18.4079 -28.5582 18.4091 -95.5115 GPRESSURE: 3050600 25.6891 -81.6168 -7.08529 -34.8561 153.71 -40.5604 -91.434 0.223411 -11.5203 PRESSAVG: 3050600 12.1794 14.7977 -30.024 14.7978 -22.9319 16.4132 -30.024 16.4133 -16.8597 GPRESSAVG: 3050600 11.2739 12.3249 -29.4551 16.1882 -22.9731 16.0539 -30.5119 15.9911 -16.037 TIMING: 3050600 CPU: 9090.99, 0.00294734/step Wall: 9090.99, 0.00294734/step, 1.59599 hours remaining, 207.816406 MB of memory in use. ENERGY: 3050600 757.6411 2019.3341 1942.5315 114.0544 -206417.1196 18030.9263 0.0000 0.0000 34304.4515 -149248.1806 299.5893 -183552.6321 -149152.3541 299.7603 25.1000 55.9597 557110.8012 -9.2041 -9.2454 PRESSURE: 3050800 74.9488 -65.4248 -61.6465 -65.4244 26.4754 -78.2247 -61.6454 -78.2231 133.982 GPRESSURE: 3050800 145.868 -46.0188 -73.7557 -62.5398 34.3163 -35.6989 -54.5075 -65.9272 150.591 PRESSAVG: 3050800 -5.96268 9.22701 -18.8904 9.22707 -0.475793 -10.1207 -18.8904 -10.1207 14.9718 GPRESSAVG: 3050800 -5.63502 12.4644 -17.7632 6.54099 -1.26337 -8.02097 -18.3462 -12.9507 15.0052 TIMING: 3050800 CPU: 9091.58, 0.00294758/step Wall: 9091.58, 0.00294758/step, 1.59595 hours remaining, 207.816406 MB of memory in use. ENERGY: 3050800 752.6709 2132.7559 1915.1754 114.1538 -206486.4709 18081.9752 0.0000 0.0000 34182.1937 -149307.5460 298.5216 -183489.7397 -149206.8956 299.1378 78.4688 110.2586 557883.2907 2.8444 2.7023 PRESSURE: 3051000 -32.9234 139.155 33.9727 139.156 90.9642 -28.7515 33.9724 -28.7496 76.2414 GPRESSURE: 3051000 36.0851 110.503 26.6616 108.607 108.206 23.8015 69.448 -94.7894 62.6966 PRESSAVG: 3051000 -51.9031 14.5034 -44.0311 14.5035 27.0027 20.6012 -44.0312 20.6013 34.3733 GPRESSAVG: 3051000 -51.7753 12.1697 -45.878 15.6518 27.0994 17.4066 -45.4095 22.7627 33.9163 TIMING: 3051000 CPU: 9092.18, 0.00296174/step Wall: 9092.18, 0.00296174/step, 1.60345 hours remaining, 207.816406 MB of memory in use. ENERGY: 3051000 744.9525 2108.4791 1941.6122 114.2752 -206092.4637 17832.0112 0.0000 0.0000 34106.5727 -149244.5609 297.8612 -183351.1335 -149150.4647 298.5451 44.7607 68.9959 557273.5142 3.1576 3.0801 PRESSURE: 3051200 64.5702 -18.5334 -108.503 -18.5335 -318.46 -4.75647 -108.503 -4.75585 -237.821 GPRESSURE: 3051200 67.9659 0.565305 -66.8687 -123.855 -294.539 79.7943 -169.912 -137.325 -173.304 PRESSAVG: 3051200 -44.9187 -23.8799 -15.4048 -23.8799 54.1722 -6.14862 -15.4049 -6.14851 -8.26523 GPRESSAVG: 3051200 -44.686 -23.0352 -15.8246 -24.9476 53.9007 -4.43932 -14.397 -7.09136 -8.26848 TIMING: 3051200 CPU: 9092.77, 0.00298499/step Wall: 9092.77, 0.00298499/step, 1.61587 hours remaining, 207.816406 MB of memory in use. ENERGY: 3051200 726.0807 2077.9298 1960.7843 114.4167 -205770.4887 17355.5723 0.0000 0.0000 34119.3367 -149416.3682 297.9727 -183535.7049 -149322.1622 299.0568 -163.9034 -133.2926 556255.6906 0.3294 0.3154 PRESSURE: 3051400 -116.533 -97.9206 -101.485 -97.9206 75.8004 -86.341 -101.485 -86.3422 -197.742 GPRESSURE: 3051400 -15.4803 -127.343 -138.401 -45.6423 78.9847 -66.5917 -82.833 -8.09052 -209.847 PRESSAVG: 3051400 -18.0224 -43.4345 -36.5226 -43.4344 -29.0548 6.39541 -36.5227 6.39529 67.6929 GPRESSAVG: 3051400 -16.6431 -43.222 -34.9093 -43.1509 -30.4688 5.80876 -37.9352 7.17565 68.6424 TIMING: 3051400 CPU: 9093.37, 0.00296294/step Wall: 9093.37, 0.00296294/step, 1.60378 hours remaining, 207.816406 MB of memory in use. ENERGY: 3051400 755.4125 2089.9761 1926.6539 106.7818 -206365.0015 17922.5449 0.0000 0.0000 34161.4869 -149402.1456 298.3408 -183563.6324 -149299.2538 298.3597 -79.4915 -48.7808 559120.7562 6.8719 7.1768 PRESSURE: 3051600 -147.509 -187.451 74.4316 -187.45 -198.368 6.7932 74.4326 6.79239 115.908 GPRESSURE: 3051600 -115.124 -220.154 67.4331 -144.595 -154.121 7.63499 49.7825 -33.823 137.524 PRESSAVG: 3051600 -4.82143 -31.5529 -4.10939 -31.553 60.36 6.51929 -4.10947 6.51918 -33.8952 GPRESSAVG: 3051600 -6.58576 -33.2873 -4.38612 -28.4499 62.1368 7.97123 -4.69316 6.94322 -34.2249 TIMING: 3051600 CPU: 9093.96, 0.002952/step Wall: 9093.96, 0.002952/step, 1.59769 hours remaining, 207.816406 MB of memory in use. ENERGY: 3051600 763.7915 2112.0082 1924.0965 122.0777 -206236.2249 17910.1832 0.0000 0.0000 34005.4743 -149398.5936 296.9783 -183404.0678 -149306.7290 298.2323 -76.6563 -43.9066 558043.5951 7.2145 7.1087 PRESSURE: 3051800 86.1881 0.517757 83.8176 0.517922 184.768 52.0955 83.8177 52.0954 -190.596 GPRESSURE: 3051800 96.0313 -19.0729 61.4972 -61.0041 194.728 76.1831 48.4734 0.322276 -114.75 PRESSAVG: 3051800 38.1287 12.5243 -61.2971 12.5243 -72.1314 -21.787 -61.2972 -21.7869 -16.695 GPRESSAVG: 3051800 39.3384 14.8898 -61.9382 10.1395 -73.2191 -24.5392 -60.9759 -20.569 -16.6598 TIMING: 3051800 CPU: 9094.54, 0.00291892/step Wall: 9094.54, 0.00291892/step, 1.57962 hours remaining, 207.816406 MB of memory in use. ENERGY: 3051800 733.5392 2117.0759 1922.4993 111.9923 -206428.7252 17937.0578 0.0000 0.0000 34206.7260 -149399.8348 298.7358 -183606.5608 -149303.9777 298.1325 26.7866 58.6699 556313.3812 -16.8992 -16.8469 PRESSURE: 3052000 -105.399 195.665 15.605 195.665 -195.579 36.2833 15.6055 36.2829 -6.36977 GPRESSURE: 3052000 20.7324 257.738 87.6303 287.297 -191.904 -102.282 -11.829 120.259 -45.9401 PRESSAVG: 3052000 53.153 -15.0092 4.93494 -15.0091 9.56049 -16.1988 4.93492 -16.1987 -60.4619 GPRESSAVG: 3052000 52.4701 -12.3471 5.92001 -16.9992 8.97387 -15.2876 4.70242 -17.0819 -59.543 TIMING: 3052000 CPU: 9095.12, 0.00292368/step Wall: 9095.12, 0.00292368/step, 1.58203 hours remaining, 207.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3052000 765.4545 2092.1540 1955.7406 112.7608 -206394.7496 17813.7153 0.0000 0.0000 34342.2816 -149312.6428 299.9197 -183654.9244 -149208.7718 299.1377 -102.4495 -72.3706 558881.5473 0.7505 0.6337 PRESSURE: 3052200 -249.18 137.084 -97.9681 137.084 -235.368 -168.544 -97.9673 -168.542 -68.5867 GPRESSURE: 3052200 -239.09 125.104 -63.2514 96.2953 -187.313 -212.246 -111.725 -145.215 -18.462 PRESSAVG: 3052200 10.113 39.1894 14.4405 39.1894 -8.21263 26.5544 14.4405 26.5543 -25.5394 GPRESSAVG: 3052200 11.311 36.3697 13.4545 41.7572 -8.35676 28.0389 15.2548 25.5155 -25.8758 TIMING: 3052200 CPU: 9095.71, 0.00291568/step Wall: 9095.71, 0.00291568/step, 1.57754 hours remaining, 207.816406 MB of memory in use. ENERGY: 3052200 756.8124 2061.0162 1926.9898 108.4553 -205928.7367 17754.7786 0.0000 0.0000 34025.9671 -149294.7174 297.1572 -183320.6845 -149197.5258 298.2854 -184.3784 -148.2883 559040.4336 -7.8796 -7.6405 LDB: ============= START OF LOAD BALANCING ============== 9099.25 LDB: ============== END OF LOAD BALANCING =============== 9099.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9099.25 LDB: ============= START OF LOAD BALANCING ============== 9099.55 LDB: Largest compute 4802 load 0.025736 is 21.8% of average load 0.118284 LDB: Average compute 0.001741 is 1.5% of average load 0.118284 LDB: TIME 9099.55 LOAD: AVG 0.118284 MAX 0.195309 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.332 MB LDB: TIME 9099.55 LOAD: AVG 0.118284 MAX 0.195309 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.332 MB LDB: TIME 9099.55 LOAD: AVG 0.118284 MAX 0.195309 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.332 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9099.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9099.55 PRESSURE: 3052400 -270.135 70.8245 80.5045 70.8235 -50.97 -21.311 80.5033 -21.3103 -21.76 GPRESSURE: 3052400 -259.722 45.5109 38.2083 101.51 -56.9867 13.1787 65.3501 31.2054 66.7213 PRESSAVG: 3052400 12.3583 18.9052 9.56442 18.9051 31.7584 41.0508 9.56444 41.0507 -23.4126 GPRESSAVG: 3052400 12.5098 18.9159 13.154 17.9263 32.5285 39.5889 8.33523 41.2377 -24.1816 TIMING: 3052400 CPU: 9096.3, 0.00298008/step Wall: 9096.3, 0.00298008/step, 1.61222 hours remaining, 206.843750 MB of memory in use. ENERGY: 3052400 777.9616 2083.9101 1937.0564 118.5350 -206014.9341 17680.3170 0.0000 0.0000 34134.0354 -149283.1186 298.1010 -183417.1540 -149187.0239 299.0816 -114.2882 -83.3293 557684.3187 6.9013 6.9523 PRESSURE: 3052600 -82.5925 72.5656 131.539 72.5652 43.0289 5.91907 131.539 5.91999 -63.8704 GPRESSURE: 3052600 -69.591 -23.954 11.0522 125.569 72.3644 -41.6369 172.691 52.343 -12.2103 PRESSAVG: 3052600 20.278 -12.3793 6.01186 -12.3794 2.6154 -6.50374 6.01182 -6.50374 -10.9021 GPRESSAVG: 3052600 19.2112 -13.1141 5.05664 -12.646 3.04632 -7.14295 6.72579 -5.39256 -10.3349 TIMING: 3052600 CPU: 9096.89, 0.00294351/step Wall: 9096.89, 0.00294351/step, 1.59228 hours remaining, 207.042969 MB of memory in use. ENERGY: 3052600 778.4936 2094.0655 1939.5304 127.3671 -205989.1403 17761.0674 0.0000 0.0000 33996.5596 -149292.0566 296.9004 -183288.6163 -149193.2717 299.2499 -34.4780 -3.1456 557445.3177 3.9971 3.9742 PRESSURE: 3052800 89.8894 37.134 -167.649 37.1333 -40.999 80.3249 -167.648 80.3234 -53.5047 GPRESSURE: 3052800 152.766 51.0518 -107.618 94.1914 -24.7681 48.237 -185.753 31.5121 -38.1304 PRESSAVG: 3052800 -4.88695 11.1162 -60.566 11.1162 -7.31423 12.3545 -60.5659 12.3545 7.13609 GPRESSAVG: 3052800 -4.70259 11.8364 -62.425 11.4603 -7.15726 13.2635 -60.2929 10.1487 7.07 TIMING: 3052800 CPU: 9097.48, 0.0029588/step Wall: 9097.48, 0.0029588/step, 1.60038 hours remaining, 207.042969 MB of memory in use. ENERGY: 3052800 757.0873 2079.2046 1951.4769 107.3761 -206218.5074 17829.7696 0.0000 0.0000 34159.2570 -149334.3358 298.3213 -183493.5928 -149241.0638 299.0436 -1.5381 29.9560 556477.2553 -1.6884 -1.5966 PRESSURE: 3053000 -310.155 -250.619 -70.7679 -250.618 90.485 53.5454 -70.7685 53.5462 -304.376 GPRESSURE: 3053000 -262.208 -273.001 -48.5228 -273.929 102.417 -2.72876 -124.013 123.869 -269.108 PRESSAVG: 3053000 17.9277 27.6402 -52.1655 27.6403 0.105189 17.487 -52.1655 17.4869 -28.9845 GPRESSAVG: 3053000 17.4823 28.9762 -50.976 26.1285 0.143701 17.1933 -51.4351 15.6342 -28.3555 TIMING: 3053000 CPU: 9098.08, 0.00297654/step Wall: 9098.08, 0.00297654/step, 1.60981 hours remaining, 207.042969 MB of memory in use. ENERGY: 3053000 709.5144 2107.9080 1952.8338 100.4254 -206115.3303 17544.0702 0.0000 0.0000 34299.9526 -149400.6258 299.5500 -183700.5785 -149300.7082 298.9772 -174.6819 -142.9663 556421.6855 -3.6505 -3.5765 PRESSURE: 3053200 -101.803 -86.9491 -11.7724 -86.9476 -91.4848 101.418 -11.7735 101.417 99.1505 GPRESSURE: 3053200 -10.3251 -155.299 -76.8429 -89.1828 -46.4012 85.692 86.7519 75.6092 54.5455 PRESSAVG: 3053200 17.1069 -12.7716 -28.6591 -12.7714 -4.05899 29.9012 -28.6591 29.9011 -9.10736 GPRESSAVG: 3053200 17.5199 -12.6485 -29.5705 -12.4484 -3.62727 29.1599 -27.9085 31.2066 -10.3135 TIMING: 3053200 CPU: 9098.67, 0.00294324/step Wall: 9098.67, 0.00294324/step, 1.59164 hours remaining, 207.042969 MB of memory in use. ENERGY: 3053200 764.3305 2045.2368 1912.6218 123.8037 -206290.4821 17977.3943 0.0000 0.0000 34292.1099 -149174.9850 299.4815 -183467.0949 -149080.1010 299.1680 -31.3792 -0.7269 558020.5667 1.3135 1.1930 PRESSURE: 3053400 -87.3649 -194.139 -11.9857 -194.139 28.9142 -35.6363 -11.9842 -35.6354 -196.767 GPRESSURE: 3053400 -29.8309 -182.828 -15.2167 -223.999 74.0452 -47.0879 -49.2654 -15.6996 -213.128 PRESSAVG: 3053400 -4.38851 -33.6947 3.40496 -33.6947 37.3599 -44.1339 3.40491 -44.1339 12.4867 GPRESSAVG: 3053400 -3.86759 -34.8746 2.48297 -31.6063 36.8853 -41.5141 3.81443 -44.9334 12.4346 TIMING: 3053400 CPU: 9099.25, 0.00292817/step Wall: 9099.25, 0.00292817/step, 1.58333 hours remaining, 207.042969 MB of memory in use. ENERGY: 3053400 743.1175 2145.1266 1957.5946 116.5069 -205949.2528 17611.3309 0.0000 0.0000 34288.3513 -149087.2249 299.4487 -183375.5763 -148984.8888 299.4738 -85.0725 -56.3045 557178.0616 15.1527 15.1508 PRESSURE: 3053600 -287.672 27.2136 -91.3485 27.2133 -55.1612 10.9681 -91.3474 10.9674 49.7231 GPRESSURE: 3053600 -180.332 7.2746 -39.8401 102.043 -107.154 -40.0566 -142.078 57.8453 93.7191 PRESSAVG: 3053600 -14.4341 -8.3496 -6.26211 -8.34969 1.64872 -0.213902 -6.26205 -0.214031 -10.6673 GPRESSAVG: 3053600 -15.0091 -10.5247 -3.74908 -8.49718 1.18488 -3.01929 -8.58146 2.02001 -9.76657 TIMING: 3053600 CPU: 9099.84, 0.00293426/step Wall: 9099.84, 0.00293426/step, 1.58646 hours remaining, 207.042969 MB of memory in use. ENERGY: 3053600 708.3671 2074.7692 1943.7736 113.7163 -205634.2211 17518.4112 0.0000 0.0000 34221.3455 -149053.8382 298.8635 -183275.1838 -148952.1167 299.3067 -97.7035 -64.5891 557379.8123 -7.8176 -7.8636 PRESSURE: 3053800 -128.944 -80.7638 35.7588 -80.7627 -61.35 73.8864 35.7582 73.8876 -3.83341 GPRESSURE: 3053800 -70.766 -152.696 21.3744 18.5761 -1.72185 -58.2612 11.4849 89.6629 -25.0499 PRESSAVG: 3053800 -82.3631 11.4358 11.0319 11.4358 8.29066 -18.139 11.0318 -18.1391 48.9846 GPRESSAVG: 3053800 -82.4197 14.4577 10.3919 9.20014 8.90448 -17.6026 12.8028 -18.0853 48.6016 TIMING: 3053800 CPU: 9100.43, 0.0029351/step Wall: 9100.43, 0.0029351/step, 1.58675 hours remaining, 207.042969 MB of memory in use. ENERGY: 3053800 725.6896 2117.5230 1926.7206 104.9112 -205870.4020 17605.2374 0.0000 0.0000 34308.4028 -149081.9173 299.6238 -183390.3201 -148977.9670 299.7962 -64.7091 -32.5126 557537.3008 -8.3626 -8.3045 PRESSURE: 3054000 -134.385 33.4168 39.5562 33.4172 2.49393 29.4824 39.5561 29.4832 223.909 GPRESSURE: 3054000 -98.3204 18.5342 41.9591 113.865 78.9167 112.966 78.245 -16.234 209.455 PRESSAVG: 3054000 -21.0026 9.56977 32.7621 9.56974 96.085 30.5778 32.762 30.5777 -6.14432 GPRESSAVG: 3054000 -20.6884 6.67298 32.2064 10.6243 95.9143 31.5526 32.9048 29.9178 -6.60751 TIMING: 3054000 CPU: 9101.02, 0.00294456/step Wall: 9101.02, 0.00294456/step, 1.5917 hours remaining, 207.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3054000 777.0582 2109.4906 1939.7578 117.8524 -206065.2038 17770.4020 0.0000 0.0000 34394.4691 -148956.1738 300.3755 -183350.6429 -148855.1805 299.5791 30.6727 63.3505 556586.5378 22.9794 22.8728 PRESSURE: 3054200 46.3286 78.2567 123.32 78.2559 71.0335 -139.473 123.32 -139.474 135.639 GPRESSURE: 3054200 117.336 117.356 58.2389 67.8719 80.7707 -143.156 118.565 -118.897 162.983 PRESSAVG: 3054200 -25.4579 -9.08051 36.5615 -9.08054 -33.3578 9.77988 36.5615 9.77985 52.6408 GPRESSAVG: 3054200 -26.7746 -5.50302 36.185 -10.364 -32.6723 9.58673 36.0459 10.4751 53.3213 TIMING: 3054200 CPU: 9101.61, 0.00295044/step Wall: 9101.61, 0.00295044/step, 1.59471 hours remaining, 207.042969 MB of memory in use. ENERGY: 3054200 727.7395 2112.0675 1938.2405 105.9746 -206106.2056 17849.7395 0.0000 0.0000 34449.3721 -148923.0719 300.8549 -183372.4440 -148828.6003 300.0827 84.3337 120.3634 557220.4368 -2.0583 -2.0419 PRESSURE: 3054400 89.1925 117.657 141.541 117.655 -111.017 -48.6786 141.541 -48.6789 -171.515 GPRESSURE: 3054400 158.694 152.193 201.043 61.7405 -37.0676 -139.196 47.3377 -12.3628 -204.984 PRESSAVG: 3054400 -8.90777 -24.7373 48.6225 -24.7372 -14.0924 -40.4992 48.6224 -40.4993 27.4616 GPRESSAVG: 3054400 -8.85701 -25.1314 46.7511 -23.9751 -14.0198 -40.8775 48.9867 -40.2229 27.1168 TIMING: 3054400 CPU: 9102.19, 0.00293253/step Wall: 9102.19, 0.00293253/step, 1.58487 hours remaining, 207.042969 MB of memory in use. ENERGY: 3054400 741.6434 2138.0458 1948.8113 105.2184 -205810.9791 17581.9259 0.0000 0.0000 34275.7036 -149019.6307 299.3382 -183295.3343 -148926.5621 299.6800 -64.4468 -27.7860 556443.4766 1.4871 1.4133 PRESSURE: 3054600 -295.407 63.0661 -66.3207 63.0663 -106.164 -156.184 -66.3201 -156.183 -106.033 GPRESSURE: 3054600 -291.883 63.0328 17.1958 26.574 -75.5781 -118.685 -94.3298 -219.141 -50.0692 PRESSAVG: 3054600 -26.9101 45.2604 -66.1055 45.2604 -8.70571 -7.12384 -66.1053 -7.12398 23.4012 GPRESSAVG: 3054600 -26.6011 43.98 -64.789 45.101 -9.48073 -9.3539 -64.4436 -5.89021 23.832 TIMING: 3054600 CPU: 9102.78, 0.0029388/step Wall: 9102.78, 0.0029388/step, 1.5881 hours remaining, 207.042969 MB of memory in use. ENERGY: 3054600 780.2466 2126.8958 1938.4413 108.8817 -205920.9794 17566.2863 0.0000 0.0000 34193.8840 -149206.3437 298.6237 -183400.2278 -149110.3507 299.7802 -169.2012 -139.1768 558585.4734 -4.0715 -4.0833 PRESSURE: 3054800 -74.9275 -47.7262 106.991 -47.7266 -198.495 -30.4573 106.992 -30.4583 -31.0108 GPRESSURE: 3054800 -88.6363 -28.1451 149.553 4.3032 -128.356 -116.61 106.503 -4.74117 6.20297 PRESSAVG: 3054800 1.98558 46.6293 43.6211 46.6294 -62.4779 -38.132 43.6211 -38.1321 -17.6412 GPRESSAVG: 3054800 1.85489 48.3898 44.108 46.7933 -60.9391 -36.2198 40.3348 -39.2033 -18.3234 TIMING: 3054800 CPU: 9103.37, 0.00296428/step Wall: 9103.37, 0.00296428/step, 1.6017 hours remaining, 207.042969 MB of memory in use. ENERGY: 3054800 791.6842 2133.1577 1945.2339 103.4019 -206160.9596 17692.1923 0.0000 0.0000 34399.3973 -149095.8924 300.4185 -183495.2897 -149000.5871 299.1213 -101.4779 -70.2631 557871.9299 -26.0445 -25.8025 PRESSURE: 3055000 178.379 -128.145 27.847 -128.146 115.812 8.77035 27.847 8.76826 30.7923 GPRESSURE: 3055000 126.814 -42.3823 49.1638 -183.147 135.604 47.3198 8.51553 64.3993 145.353 PRESSAVG: 3055000 -96.5955 -46.3737 -7.4917 -46.3737 -16.8453 -24.8667 -7.49171 -24.8667 75.1221 GPRESSAVG: 3055000 -97.1936 -47.3124 -6.25656 -45.8286 -17.6726 -24.8094 -5.32172 -23.4297 75.7366 TIMING: 3055000 CPU: 9103.96, 0.00293959/step Wall: 9103.96, 0.00293959/step, 1.58819 hours remaining, 207.078125 MB of memory in use. ENERGY: 3055000 745.4910 2129.2888 1948.2741 103.6137 -206269.0757 17885.9151 0.0000 0.0000 34403.7546 -149052.7384 300.4565 -183456.4930 -148965.6318 299.1338 108.3279 135.9236 557477.6238 -12.7729 -13.0432 PRESSURE: 3055200 164.057 98.9224 35.3577 98.9231 269.396 -41.2105 35.3593 -41.2121 -93.5449 GPRESSURE: 3055200 153.351 69.507 27.6217 70.7537 271.367 -35.4889 51.0282 11.7285 15.0257 PRESSAVG: 3055200 21.9307 6.82606 -25.9276 6.82606 -8.44716 42.5297 -25.9276 42.5296 -17.8986 GPRESSAVG: 3055200 22.8539 5.07046 -27.5478 6.84737 -9.56959 43.9322 -26.063 39.7377 -17.9858 TIMING: 3055200 CPU: 9104.55, 0.00294152/step Wall: 9104.55, 0.00294152/step, 1.58908 hours remaining, 207.078125 MB of memory in use. ENERGY: 3055200 721.5429 2154.2781 1956.6311 116.6008 -206118.6873 17867.1181 0.0000 0.0000 34292.4105 -149010.1058 299.4842 -183302.5163 -148915.7349 300.0088 113.3027 146.5810 557683.3327 -1.4717 -1.5672 PRESSURE: 3055400 52.2025 28.7466 -42.8361 28.7476 -35.921 17.2682 -42.8367 17.2686 -210.705 GPRESSURE: 3055400 102.991 80.4148 -61.4037 77.6262 49.5491 59.0141 -60.7832 37.8293 -238.822 PRESSAVG: 3055400 -31.6056 28.6795 39.9646 28.6795 0.693524 32.0152 39.9646 32.0152 5.94192 GPRESSAVG: 3055400 -31.7574 30.8365 41.6088 30.5193 1.3748 31.4058 38.3706 32.5516 5.25462 TIMING: 3055400 CPU: 9105.13, 0.00291774/step Wall: 9105.13, 0.00291774/step, 1.57607 hours remaining, 207.281250 MB of memory in use. ENERGY: 3055400 741.9898 2162.3202 1945.3477 104.2965 -206398.0977 17722.2083 0.0000 0.0000 34450.7501 -149271.1852 300.8670 -183721.9353 -149173.3827 299.8827 -64.8078 -28.7606 557266.2128 -8.3234 -8.3760 PRESSURE: 3055600 224.631 -85.7926 47.9564 -85.7917 -134.836 14.6342 47.957 14.6344 30.0687 GPRESSURE: 3055600 243.826 -148.841 -68.5809 -48.1095 -115.36 71.0186 72.5418 -5.74589 91.503 PRESSAVG: 3055600 88.1633 10.9911 52.7632 10.9912 -38.8295 -18.3395 52.7633 -18.3396 4.74723 GPRESSAVG: 3055600 87.5507 12.2761 50.425 7.12282 -38.624 -18.9637 53.1911 -16.1869 4.77882 TIMING: 3055600 CPU: 9105.72, 0.00294227/step Wall: 9105.72, 0.00294227/step, 1.58915 hours remaining, 207.281250 MB of memory in use. ENERGY: 3055600 742.4475 2081.1204 1923.0255 102.5337 -206454.8931 17941.1805 0.0000 0.0000 34262.9086 -149401.6768 299.2265 -183664.5854 -149301.2477 298.7632 39.9547 73.3232 558708.3113 18.0270 17.9018 PRESSURE: 3055800 -52.0892 10.9891 -62.8541 10.9886 -95.3099 -112.225 -62.8549 -112.225 -123.472 GPRESSURE: 3055800 -5.27838 131.046 -42.583 -62.6248 -105.245 -208.627 -86.5259 -3.42788 -56.6848 PRESSAVG: 3055800 10.7306 40.7144 -4.678 40.7144 -38.767 -50.0549 -4.6779 -50.0549 54.4356 GPRESSAVG: 3055800 11.7176 39.3818 -3.69462 40.8792 -40.2949 -50.5128 -4.96089 -52.2973 55.1349 TIMING: 3055800 CPU: 9106.31, 0.00294918/step Wall: 9106.31, 0.00294918/step, 1.59272 hours remaining, 207.281250 MB of memory in use. ENERGY: 3055800 745.1371 2073.2087 1940.7403 115.1094 -206483.6195 17796.6913 0.0000 0.0000 34347.2212 -149465.5116 299.9628 -183812.7327 -149369.1979 299.5443 -90.2905 -55.7362 558433.3456 8.7997 8.8525 PRESSURE: 3056000 -284.097 175.39 -111.818 175.39 -143.41 -11.1118 -111.817 -11.1136 -184.79 GPRESSURE: 3056000 -253.415 193.31 -122.113 219.969 -141.038 68.6653 -228.894 -29.6378 -109.844 PRESSAVG: 3056000 12.6959 10.1484 -80.6702 10.1484 -55.5254 -15.7018 -80.6702 -15.7018 41.0151 GPRESSAVG: 3056000 12.6944 9.66561 -80.0749 12.8355 -53.5813 -15.6133 -81.7822 -15.9319 38.9398 TIMING: 3056000 CPU: 9106.9, 0.00293461/step Wall: 9106.9, 0.00293461/step, 1.58469 hours remaining, 207.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3056000 752.7031 2074.7914 1944.8727 108.6415 -206221.0684 17695.2312 0.0000 0.0000 34299.1095 -149345.7191 299.5427 -183644.8285 -149243.1474 298.9497 -204.0991 -168.0992 558453.1152 -0.6048 -0.6490 PRESSURE: 3056200 -85.268 124.346 -203.405 124.346 -213.843 -96.0211 -203.406 -96.0209 29.6332 GPRESSURE: 3056200 -74.3082 162.999 -270.878 64.2707 -175.785 -75.771 -219.894 -126.697 73.9148 PRESSAVG: 3056200 54.1818 0.00870103 -79.425 0.00875367 -63.3728 -17.775 -79.4249 -17.7751 -18.6872 GPRESSAVG: 3056200 53.0085 -0.166653 -78.2001 -0.675464 -64.3052 -19.1929 -77.8599 -17.7456 -16.8369 TIMING: 3056200 CPU: 9107.49, 0.00293821/step Wall: 9107.49, 0.00293821/step, 1.58647 hours remaining, 207.281250 MB of memory in use. ENERGY: 3056200 750.1820 2025.2358 1947.4707 127.1549 -206071.5407 17672.2642 0.0000 0.0000 34127.5742 -149421.6589 298.0446 -183549.2331 -149312.5152 298.8629 -89.8261 -58.7261 558222.3421 -9.2927 -9.3778 LDB: ============= START OF LOAD BALANCING ============== 9111.03 LDB: ============== END OF LOAD BALANCING =============== 9111.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9111.04 LDB: ============= START OF LOAD BALANCING ============== 9111.33 LDB: Largest compute 4802 load 0.025042 is 21.2% of average load 0.118201 LDB: Average compute 0.001739 is 1.5% of average load 0.118201 LDB: TIME 9111.33 LOAD: AVG 0.118201 MAX 0.197592 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.047 MB LDB: TIME 9111.33 LOAD: AVG 0.118201 MAX 0.197592 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.109 MB LDB: TIME 9111.33 LOAD: AVG 0.118201 MAX 0.197592 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.109 MB LDB: ============== END OF LOAD BALANCING =============== 9111.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9111.34 PRESSURE: 3056400 113.577 63.9423 13.7606 63.9431 157.497 -18.1604 13.7614 -18.1601 167.199 GPRESSURE: 3056400 117.971 0.511189 4.65968 23.4166 168.189 -35.7002 23.9099 35.3186 240.928 PRESSAVG: 3056400 -10.4501 -28.4718 -19.9114 -28.4719 -31.2185 -39.6206 -19.9113 -39.6206 36.7085 GPRESSAVG: 3056400 -10.4117 -27.8761 -20.4999 -29.1124 -31.0426 -39.4346 -20.6197 -38.1174 36.3386 TIMING: 3056400 CPU: 9108.09, 0.00301817/step Wall: 9108.09, 0.00301817/step, 1.62948 hours remaining, 207.070312 MB of memory in use. ENERGY: 3056400 700.8443 2050.6622 1934.5093 115.3823 -206503.5587 17975.4094 0.0000 0.0000 34242.4902 -149484.2610 299.0482 -183726.7512 -149388.5554 298.2814 146.0912 175.6958 558285.6138 -1.6534 -1.7053 PRESSURE: 3056600 -47.4028 -9.43857 97.7999 -9.43795 -236.244 -64.0407 97.7996 -64.0408 -11.9974 GPRESSURE: 3056600 37.2003 -75.2772 109.694 1.06241 -199.243 -62.7545 71.5174 -84.0988 -38.0389 PRESSAVG: 3056600 19.1851 15.0548 -8.148 15.0547 -37.0769 20.522 -8.14817 20.5219 23.3791 GPRESSAVG: 3056600 18.7714 14.0564 -7.72476 15.559 -36.6838 21.9146 -7.51935 18.8249 23.2582 TIMING: 3056600 CPU: 9108.68, 0.00294222/step Wall: 9108.68, 0.00294222/step, 1.58831 hours remaining, 207.070312 MB of memory in use. ENERGY: 3056600 745.9906 2079.1247 1935.5745 113.4516 -206199.9989 17835.8777 0.0000 0.0000 34186.8258 -149303.1540 298.5621 -183489.9797 -149213.5317 298.8142 -98.5481 -66.6939 559392.2219 1.8291 1.7819 PRESSURE: 3056800 2.92345 -75.3327 167.242 -75.332 141.835 -40.0611 167.242 -40.0599 169.454 GPRESSURE: 3056800 10.7483 -83.4947 85.2569 -70.9583 120.324 -46.4473 146.433 -57.2405 281.304 PRESSAVG: 3056800 24.6825 16.2632 -16.106 16.2633 26.346 2.31401 -16.106 2.31396 -45.8646 GPRESSAVG: 3056800 26.2488 16.7936 -15.3432 15.3866 24.6609 2.66293 -17.0265 2.4026 -45.8382 TIMING: 3056800 CPU: 9109.27, 0.00293704/step Wall: 9109.27, 0.00293704/step, 1.58535 hours remaining, 207.070312 MB of memory in use. ENERGY: 3056800 742.5740 2074.0410 1934.3368 121.1377 -206659.7822 18102.8723 0.0000 0.0000 34243.6455 -149441.1749 299.0583 -183684.8204 -149346.2738 298.7269 104.7376 137.4587 557060.4386 1.7213 1.6905 PRESSURE: 3057000 -145.731 -8.39552 141.57 -8.39497 97.9296 -151.797 141.572 -151.797 -124.155 GPRESSURE: 3057000 -59.3402 14.4887 131.875 -67.5687 103.906 -97.9844 200.008 -241.774 -142.323 PRESSAVG: 3057000 28.9607 21.5732 -39.4945 21.5731 -22.9331 -30.3453 -39.4944 -30.3452 22.7034 GPRESSAVG: 3057000 28.9829 21.1594 -41.1322 21.1702 -22.2352 -31.2075 -38.3133 -29.8824 21.9449 TIMING: 3057000 CPU: 9109.85, 0.00294154/step Wall: 9109.85, 0.00294154/step, 1.58762 hours remaining, 207.070312 MB of memory in use. ENERGY: 3057000 775.9338 2082.6460 1946.3378 116.2875 -206146.3209 17867.7373 0.0000 0.0000 33838.5359 -149518.8426 295.5204 -183357.3785 -149426.4836 298.1271 -57.3186 -32.5858 558414.3140 9.5770 9.5642 PRESSURE: 3057200 -196.235 30.6363 0.43534 30.6368 -317.732 55.3302 0.4347 55.3299 -189.676 GPRESSURE: 3057200 -190.132 22.0291 -17.2843 44.2149 -261.223 -11.761 -55.2631 111.37 -153.493 PRESSAVG: 3057200 -2.30264 28.699 -15.3167 28.6989 -20.7185 15.8136 -15.3167 15.8136 14.3694 GPRESSAVG: 3057200 -4.38006 28.3556 -15.2481 29.8089 -19.9273 16.6238 -15.6642 15.5921 15.614 TIMING: 3057200 CPU: 9110.45, 0.00296947/step Wall: 9110.45, 0.00296947/step, 1.60252 hours remaining, 207.070312 MB of memory in use. ENERGY: 3057200 733.9242 2053.8598 1966.5334 107.2646 -205611.5807 17210.8686 0.0000 0.0000 34076.6410 -149462.4890 297.5998 -183539.1300 -149363.4951 298.0482 -234.5476 -201.6158 556004.3551 -2.8839 -2.8978 PRESSURE: 3057400 -87.7478 0.635814 23.661 0.636264 172.987 13.6197 23.6604 13.6196 -23.7956 GPRESSURE: 3057400 0.00637976 -111.826 32.3517 76.9624 138.322 89.7269 2.00231 -33.6395 12.7075 PRESSAVG: 3057400 -28.7712 -0.891965 93.0252 -0.89193 40.463 23.7349 93.0251 23.735 -8.35229 GPRESSAVG: 3057400 -27.9215 -1.70491 93.1557 -2.69749 40.5052 23.3855 93.7336 24.5485 -8.689 TIMING: 3057400 CPU: 9111.04, 0.00294253/step Wall: 9111.04, 0.00294253/step, 1.58782 hours remaining, 207.070312 MB of memory in use. ENERGY: 3057400 750.0848 2109.1471 1933.5123 126.9985 -206255.5376 17858.8453 0.0000 0.0000 34228.6020 -149248.3476 298.9269 -183476.9497 -149155.8197 298.3635 20.4813 50.3454 557786.4366 1.1132 1.2983 PRESSURE: 3057600 -114.231 158.262 -22.8579 158.262 -38.7143 100.451 -22.8582 100.452 41.097 GPRESSURE: 3057600 -117.726 71.4001 -69.0218 194.093 2.81211 126.083 34.5213 69.861 116.758 PRESSAVG: 3057600 -2.57465 56.0305 11.5921 56.0306 -15.302 31.7418 11.5921 31.7417 27.1597 GPRESSAVG: 3057600 -2.72957 56.3535 12.3424 58.5636 -14.4748 31.3452 9.44146 29.8722 26.7113 TIMING: 3057600 CPU: 9111.63, 0.00296508/step Wall: 9111.63, 0.00296508/step, 1.59983 hours remaining, 207.070312 MB of memory in use. ENERGY: 3057600 735.7331 2045.4439 1946.5379 127.5063 -206116.3429 17886.1005 0.0000 0.0000 34154.3778 -149220.6435 298.2787 -183375.0213 -149126.7037 299.0147 -37.2828 0.6150 559322.1633 3.0944 3.1690 PRESSURE: 3057800 -215.589 155.428 -19.1771 155.428 -211.251 -42.2427 -19.1749 -42.2408 -201.713 GPRESSURE: 3057800 -143.664 125.348 41.7624 103.69 -211.439 9.58313 -38.3721 -123.58 -187.769 PRESSAVG: 3057800 -14.9713 -14.3395 -33.3461 -14.3396 -48.3178 6.66755 -33.3461 6.66747 21.0701 GPRESSAVG: 3057800 -15.0068 -14.5134 -34.9541 -13.4836 -49.1628 6.6277 -31.8473 6.00766 22.0564 TIMING: 3057800 CPU: 9112.22, 0.00295935/step Wall: 9112.22, 0.00295935/step, 1.59657 hours remaining, 207.070312 MB of memory in use. ENERGY: 3057800 801.9499 2067.7226 1950.1190 114.1285 -205748.3894 17596.3270 0.0000 0.0000 34033.2232 -149184.9193 297.2206 -183218.1424 -149090.7967 298.4048 -209.5175 -180.9572 558497.6722 -14.0730 -14.0377 PRESSURE: 3058000 -54.3529 1.86103 113.451 1.8611 -33.5629 0.494424 113.451 0.493794 -66.0664 GPRESSURE: 3058000 -23.7072 -96.0986 53.1759 40.0031 -11.1055 -33.2833 126.699 42.0362 -24.1397 PRESSAVG: 3058000 22.9886 1.38358 -8.03586 1.38358 -31.0759 -29.4232 -8.03584 -29.4232 19.896 GPRESSAVG: 3058000 22.9755 2.39653 -7.59473 -0.965957 -30.7134 -29.9236 -8.54173 -28.8905 19.1809 TIMING: 3058000 CPU: 9112.82, 0.00296954/step Wall: 9112.82, 0.00296954/step, 1.6019 hours remaining, 207.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3058000 789.2915 2063.3020 1932.0223 106.2966 -205871.4036 17669.7862 0.0000 0.0000 34005.8463 -149304.8588 296.9815 -183310.7051 -149214.4506 298.3017 -51.3274 -19.6508 559088.3950 3.9362 3.8143 PRESSURE: 3058200 -114.007 142.49 62.6246 142.49 -238.208 76.3712 62.6239 76.3704 -253.375 GPRESSURE: 3058200 -84.8063 160.048 -11.4787 110.529 -173.555 172.97 80.2092 -22.9846 -240.59 PRESSAVG: 3058200 -10.9927 15.6397 -25.8973 15.6398 -16.616 -20.4065 -25.8974 -20.4065 19.3303 GPRESSAVG: 3058200 -11.9462 14.6119 -27.6151 15.6246 -15.584 -19.9925 -24.5927 -19.6187 18.8957 TIMING: 3058200 CPU: 9113.41, 0.00297964/step Wall: 9113.41, 0.00297964/step, 1.60718 hours remaining, 207.070312 MB of memory in use. ENERGY: 3058200 766.4948 2083.7644 1921.1290 123.1463 -206191.2413 17670.6526 0.0000 0.0000 34182.1547 -149443.8994 298.5213 -183626.0541 -149343.5259 297.9719 -201.8637 -166.3170 557812.6972 -2.7595 -2.8782 PRESSURE: 3058400 -44.2843 -109.012 -51.4193 -109.012 184.718 147.399 -51.4201 147.4 -141.834 GPRESSURE: 3058400 -22.1245 -194.997 -17.8777 -0.337573 188.365 210.582 -76.6109 87.6528 -64.8978 PRESSAVG: 3058400 -60.3369 8.66393 -46.4332 8.66392 32.6647 -2.86762 -46.4331 -2.86758 35.9043 GPRESSAVG: 3058400 -57.9574 9.44833 -43.2488 8.80819 30.9505 -1.01317 -48.4089 -3.51518 35.2527 TIMING: 3058400 CPU: 9114.01, 0.00296942/step Wall: 9114.01, 0.00296942/step, 1.6015 hours remaining, 207.070312 MB of memory in use. ENERGY: 3058400 729.0310 2061.3565 1920.1187 111.3130 -206731.6287 17946.0368 0.0000 0.0000 34288.2587 -149675.5139 299.4479 -183963.7726 -149578.0211 297.9799 -0.4667 33.7810 556015.5749 2.7440 2.7486 PRESSURE: 3058600 241.448 174.509 14.0944 174.508 113.792 76.4716 14.0942 76.4721 -175.232 GPRESSURE: 3058600 251.158 154.707 -11.3334 111.883 150.024 15.8165 69.0131 76.9884 -134.157 PRESSAVG: 3058600 -11.8862 51.2678 -7.65726 51.2679 -14.7433 69.6612 -7.65718 69.6613 39.758 GPRESSAVG: 3058600 -12.95 50.9071 -6.70356 52.0353 -13.4374 68.4297 -9.43697 69.575 39.3024 TIMING: 3058600 CPU: 9114.6, 0.00295907/step Wall: 9114.6, 0.00295907/step, 1.59576 hours remaining, 207.070312 MB of memory in use. ENERGY: 3058600 696.2735 2064.1241 1927.3176 118.0376 -206780.3568 17859.6570 0.0000 0.0000 34419.5900 -149695.3571 300.5948 -184114.9471 -149598.5627 298.0661 60.0027 89.0086 556403.6881 4.3762 4.3050 PRESSURE: 3058800 148.643 159.448 -1.89608 159.446 -50.7249 296.904 -1.89646 296.906 11.2209 GPRESSURE: 3058800 158.73 118.421 -39.2555 94.4204 25.5374 334.525 43.5753 216.05 38.727 PRESSAVG: 3058800 27.8905 50.5568 -35.6593 50.5568 -70.1881 47.2836 -35.6593 47.2836 82.0452 GPRESSAVG: 3058800 27.771 49.8753 -37.6968 49.4792 -69.722 47.4818 -33.8655 45.5355 81.959 TIMING: 3058800 CPU: 9115.19, 0.00296002/step Wall: 9115.19, 0.00296002/step, 1.59611 hours remaining, 207.070312 MB of memory in use. ENERGY: 3058800 721.5976 2100.4633 1912.3578 119.9269 -206668.9419 18047.0583 0.0000 0.0000 34093.7137 -149673.8243 297.7489 -183767.5380 -149575.8210 297.5007 36.3796 74.3315 557146.2015 13.2492 13.3360 PRESSURE: 3059000 145.161 118.817 125.7 118.816 32.7177 -114.023 125.7 -114.023 35.4186 GPRESSURE: 3059000 132.967 188.878 211.533 47.2839 93.3059 -140.405 99.6213 -87.3193 91.0894 PRESSAVG: 3059000 25.3074 -10.5658 -2.97516 -10.5658 -13.881 4.34387 -2.97528 4.3439 -27.5038 GPRESSAVG: 3059000 24.9121 -10.0536 -4.95936 -8.38448 -15.064 5.93669 0.138338 4.43297 -25.9897 TIMING: 3059000 CPU: 9115.78, 0.00295977/step Wall: 9115.78, 0.00295977/step, 1.59581 hours remaining, 207.070312 MB of memory in use. ENERGY: 3059000 755.2965 2109.6295 1937.9283 124.1261 -206716.2016 18151.3411 0.0000 0.0000 34181.8707 -149456.0094 298.5188 -183637.8801 -149362.9735 297.9071 71.0992 105.7875 557344.8790 -5.3591 -5.3805 PRESSURE: 3059200 47.0163 -22.8118 -36.3837 -22.8109 72.83 35.1529 -36.3835 35.1515 -172.039 GPRESSURE: 3059200 9.77332 -24.1243 -69.4402 -15.7849 121.504 45.4696 -42.5338 18.5886 -91.1798 PRESSAVG: 3059200 24.4968 37.0721 0.735497 37.0722 5.3086 30.6691 0.735676 30.6691 -29.8292 GPRESSAVG: 3059200 24.6387 35.781 2.7946 35.052 5.41751 28.6805 -0.759813 33.0642 -30.2494 TIMING: 3059200 CPU: 9116.37, 0.00296615/step Wall: 9116.37, 0.00296615/step, 1.59909 hours remaining, 207.070312 MB of memory in use. ENERGY: 3059200 734.7790 2102.6231 1935.7038 109.0626 -206751.5060 17923.7406 0.0000 0.0000 34413.1631 -149532.4339 300.5387 -183945.5969 -149432.4859 298.3647 -17.3977 13.3658 558688.8851 -0.0079 -0.0644 PRESSURE: 3059400 -116.375 -153.6 -162.879 -153.6 -269.708 -49.8364 -162.879 -49.8378 -396.122 GPRESSURE: 3059400 -137.329 -146.426 -211.98 -216.45 -202.673 -54.4905 -71.6355 -75.5221 -356.31 PRESSAVG: 3059400 -24.1555 -46.2479 -39.6595 -46.2479 67.0964 21.0407 -39.6596 21.0407 -49.9131 GPRESSAVG: 3059400 -24.8638 -44.8093 -39.99 -45.8617 67.3113 21.5538 -40.2236 21.4044 -49.3923 TIMING: 3059400 CPU: 9116.97, 0.00297295/step Wall: 9116.97, 0.00297295/step, 1.60259 hours remaining, 207.070312 MB of memory in use. ENERGY: 3059400 722.0708 2075.1469 1937.6362 108.7270 -206199.9801 17661.9667 0.0000 0.0000 34282.3475 -149412.0849 299.3963 -183694.4324 -149318.9907 298.9183 -260.7348 -232.1040 559583.7338 -2.3241 -2.3149 PRESSURE: 3059600 150.249 -34.8596 -64.832 -34.8603 -180.296 9.50256 -64.8319 9.50195 34.6649 GPRESSURE: 3059600 134.193 -75.2494 -58.8971 110.826 -114.918 4.84056 -72.6896 16.5177 74.7161 PRESSAVG: 3059600 -0.903732 -37.5827 43.2904 -37.5827 56.2816 17.6216 43.2905 17.6217 -6.8252 GPRESSAVG: 3059600 1.18009 -35.55 44.1743 -38.0391 55.8482 19.2571 41.8379 14.5999 -7.91663 TIMING: 3059600 CPU: 9117.56, 0.00297076/step Wall: 9117.56, 0.00297076/step, 1.60124 hours remaining, 207.070312 MB of memory in use. ENERGY: 3059600 733.1287 2100.5522 1919.7385 104.3049 -206620.0947 18005.2866 0.0000 0.0000 34441.5234 -149315.5602 300.7864 -183757.0837 -149221.7697 299.4391 1.5393 31.3303 558213.1685 16.1842 16.3706 PRESSURE: 3059800 -99.4316 -128.56 -0.0532646 -128.56 -158.649 65.9005 -0.0540303 65.9003 -50.6487 GPRESSURE: 3059800 -132.137 -212.011 -56.9306 -32.4846 -42.8819 91.8591 -22.9157 -41.3163 -35.0761 PRESSAVG: 3059800 15.7914 27.4335 40.2061 27.4335 -0.258662 -4.9484 40.2061 -4.94853 -24.5611 GPRESSAVG: 3059800 14.8087 27.8701 39.5735 26.3481 0.620609 -5.9701 40.5325 -4.37517 -23.8419 TIMING: 3059800 CPU: 9118.16, 0.00296239/step Wall: 9118.16, 0.00296239/step, 1.59656 hours remaining, 207.070312 MB of memory in use. ENERGY: 3059800 708.2815 2120.2856 1918.6706 116.7726 -206477.6501 17886.4805 0.0000 0.0000 34283.1425 -149444.0168 299.4032 -183727.1594 -149349.2989 299.2715 -102.9098 -70.0318 559313.2206 -3.0095 -2.8042 PRESSURE: 3060000 52.3194 -16.0789 10.4861 -16.0786 -31.8615 211.048 10.4857 211.049 -63.2162 GPRESSURE: 3060000 109.163 -9.95982 43.1115 -55.5759 0.369001 154.68 16.8596 173.011 -59.3985 PRESSAVG: 3060000 27.664 -21.6555 -3.54889 -21.6555 28.0029 24.9174 -3.54885 24.9175 -39.7754 GPRESSAVG: 3060000 27.7179 -23.1915 -3.2469 -21.8438 27.5067 27.6182 -3.24604 25.7944 -39.4173 TIMING: 3060000 CPU: 9118.75, 0.00296031/step Wall: 9118.75, 0.00296031/step, 1.59528 hours remaining, 207.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3060000 717.8956 2095.6165 1922.3977 113.2720 -206264.8836 17967.4558 0.0000 0.0000 34016.1968 -149432.0492 297.0719 -183448.2460 -149333.6676 298.0632 -14.2527 16.7111 557481.0434 5.2972 5.2691 PRESSURE: 3060200 -146.87 197.099 73.879 197.097 -114.176 84.8829 73.878 84.8826 107.74 GPRESSURE: 3060200 -114.634 77.6756 79.2098 200.324 -56.1511 40.7908 42.4875 193.019 116.252 PRESSAVG: 3060200 -37.0247 -24.1751 -14.8582 -24.1751 67.8222 17.6966 -14.8581 17.6966 -32.6264 GPRESSAVG: 3060200 -35.8792 -25.2697 -16.674 -22.7937 67.1097 14.4335 -13.7973 20.2005 -32.4632 TIMING: 3060200 CPU: 9119.34, 0.00295728/step Wall: 9119.34, 0.00295728/step, 1.59348 hours remaining, 207.070312 MB of memory in use. ENERGY: 3060200 771.0850 2111.7676 1941.4193 130.1497 -206582.5600 17949.2466 0.0000 0.0000 34182.4255 -149496.4664 298.5236 -183678.8919 -149400.1646 298.6459 -51.1019 -18.1778 557076.0208 -0.6096 -0.4109 LDB: ============= START OF LOAD BALANCING ============== 9122.89 LDB: ============== END OF LOAD BALANCING =============== 9122.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9122.89 LDB: ============= START OF LOAD BALANCING ============== 9123.18 LDB: Largest compute 4773 load 0.025293 is 21.4% of average load 0.118153 LDB: Average compute 0.001745 is 1.5% of average load 0.118153 LDB: TIME 9123.19 LOAD: AVG 0.118153 MAX 0.195094 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.797 MB LDB: TIME 9123.19 LOAD: AVG 0.118153 MAX 0.195094 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.797 MB LDB: TIME 9123.19 LOAD: AVG 0.118153 MAX 0.195094 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.797 MB LDB: ============== END OF LOAD BALANCING =============== 9123.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9123.19 PRESSURE: 3060400 21.6768 156.293 -129.242 156.292 -105.067 161.309 -129.242 161.308 -190.92 GPRESSURE: 3060400 49.011 158.296 -93.6108 168.659 -117.844 218.044 -74.7896 26.0432 -96.099 PRESSAVG: 3060400 20.3456 40.1016 -2.87125 40.1016 1.90093 -28.8897 -2.87119 -28.8898 -11.7888 GPRESSAVG: 3060400 20.1508 42.1689 -0.419864 38.8355 2.78642 -28.68 -3.64891 -28.4572 -12.2945 TIMING: 3060400 CPU: 9119.94, 0.00302075/step Wall: 9119.94, 0.00302075/step, 1.62751 hours remaining, 207.140625 MB of memory in use. ENERGY: 3060400 739.9536 2152.6350 1912.1081 106.6835 -206349.4000 17864.6368 0.0000 0.0000 34023.8393 -149549.5438 297.1387 -183573.3831 -149453.0317 297.7784 -91.4367 -54.9774 559709.9211 3.4859 3.5476 PRESSURE: 3060600 -0.553421 194.089 -92.7728 194.088 48.022 48.2707 -92.7744 48.2694 -122.25 GPRESSURE: 3060600 38.7014 172.41 -89.719 159.98 72.1748 86.2817 -98.8061 -15.1884 -80.418 PRESSAVG: 3060600 -67.7208 25.492 6.86876 25.492 53.0764 26.2306 6.86865 26.2306 -6.84083 GPRESSAVG: 3060600 -68.2216 23.8132 7.32816 27.7724 53.6992 27.5411 6.93808 25.3923 -6.69105 TIMING: 3060600 CPU: 9120.54, 0.0029722/step Wall: 9120.54, 0.0029722/step, 1.60119 hours remaining, 207.464844 MB of memory in use. ENERGY: 3060600 766.3150 2121.9834 1936.7470 106.4757 -206511.6508 17991.1804 0.0000 0.0000 34083.7652 -149505.1841 297.6620 -183588.9493 -149411.6244 298.3598 -24.9272 10.1527 558547.2586 -7.1617 -7.0712 PRESSURE: 3060800 -154.771 39.7359 -47.9044 39.7358 42.0786 3.14886 -47.9052 3.14796 -31.0706 GPRESSURE: 3060800 -133.345 19.6072 13.2171 63.3626 55.7946 37.578 -51.3644 -54.0317 41.5915 PRESSAVG: 3060800 -8.60823 29.5017 -1.09947 29.5017 -29.5025 -26.8591 -1.09947 -26.8592 61.4632 GPRESSAVG: 3060800 -8.64077 30.1734 -1.07692 29.2514 -30.2746 -27.4596 -2.75461 -27.167 62.6972 TIMING: 3060800 CPU: 9121.14, 0.00300187/step Wall: 9121.14, 0.00300187/step, 1.61701 hours remaining, 207.464844 MB of memory in use. ENERGY: 3060800 733.2792 2146.4156 1945.8858 109.1515 -206149.9691 17718.1339 0.0000 0.0000 34135.6656 -149361.4376 298.1153 -183497.1031 -149266.5215 298.8890 -47.9211 -11.9864 558455.3580 7.7841 7.9273 PRESSURE: 3061000 -162.088 63.0223 69.8382 63.0224 -105.681 61.7454 69.8384 61.7442 -151.668 GPRESSURE: 3061000 -137.886 158.945 74.9007 -12.6098 -53.1559 145.934 69.1273 18.9853 -126.931 PRESSAVG: 3061000 6.49126 -25.8503 -57.2401 -25.8503 12.0096 10.4017 -57.2401 10.4018 -18.0904 GPRESSAVG: 3061000 6.8225 -25.261 -58.1171 -28.3987 12.7069 10.8325 -56.2091 8.57131 -19.2898 TIMING: 3061000 CPU: 9121.74, 0.00299593/step Wall: 9121.74, 0.00299594/step, 1.61364 hours remaining, 207.464844 MB of memory in use. ENERGY: 3061000 758.2689 2098.7346 1936.4396 115.6991 -206111.7354 17711.8507 0.0000 0.0000 34155.1576 -149335.5849 298.2855 -183490.7425 -149235.4846 298.9403 -139.8122 -105.9907 558617.5969 0.1368 0.0799 PRESSURE: 3061200 -160.375 -54.7663 -11.7941 -54.7649 157.771 43.8792 -11.7944 43.8787 -54.8364 GPRESSURE: 3061200 -123.152 -55.0094 27.0417 -97.5444 197.005 5.28834 93.7775 42.3761 -33.9624 PRESSAVG: 3061200 10.014 -13.0124 -15.733 -13.0123 3.84074 16.6499 -15.733 16.6499 1.8397 GPRESSAVG: 3061200 9.28807 -14.45 -14.4189 -11.42 2.90774 16.5357 -13.8253 18.3055 2.80789 TIMING: 3061200 CPU: 9122.33, 0.00296755/step Wall: 9122.33, 0.00296755/step, 1.59819 hours remaining, 207.464844 MB of memory in use. ENERGY: 3061200 739.8124 2079.7740 1918.5814 108.7964 -206507.3159 18016.3810 0.0000 0.0000 34317.3736 -149326.5969 299.7022 -183643.9706 -149230.7641 298.9832 -19.1468 13.2967 558997.6047 5.2315 5.0012 PRESSURE: 3061400 -205.63 -73.3592 106.268 -73.3585 -265.402 100.257 106.269 100.256 -270.173 GPRESSURE: 3061400 -184.092 -97.4807 54.7471 -106.614 -182.471 117.246 89.8324 119.561 -257.358 PRESSAVG: 3061400 -42.8332 -34.7312 70.8217 -34.7312 46.4825 2.76734 70.8218 2.76721 -26.956 GPRESSAVG: 3061400 -41.4463 -35.4444 71.4412 -34.5465 46.4182 3.21471 67.2364 2.95881 -28.5768 TIMING: 3061400 CPU: 9122.92, 0.00295313/step Wall: 9122.92, 0.00295313/step, 1.59026 hours remaining, 207.464844 MB of memory in use. ENERGY: 3061400 742.8250 2085.1832 1914.1057 109.0414 -205687.9867 17301.1468 0.0000 0.0000 34306.6339 -149229.0507 299.6084 -183535.6846 -149138.0122 298.7964 -247.0682 -207.9737 558624.9871 -7.7689 -7.8683 PRESSURE: 3061600 -37.8642 94.5506 71.9987 94.5515 -270.928 -112.378 71.9993 -112.379 -343.389 GPRESSURE: 3061600 -9.87667 118.125 61.0672 38.9596 -187.81 -120.914 42.5315 -39.038 -351.483 PRESSAVG: 3061600 -21.1655 -6.99675 39.5368 -6.99685 -12.1438 0.906732 39.5369 0.906675 35.2217 GPRESSAVG: 3061600 -21.172 -5.72355 38.1843 -6.13975 -12.3773 1.80796 41.0625 0.645441 35.1421 TIMING: 3061600 CPU: 9123.51, 0.00294703/step Wall: 9123.51, 0.00294703/step, 1.58681 hours remaining, 207.464844 MB of memory in use. ENERGY: 3061600 782.3513 2075.3414 1943.2145 110.6471 -205796.1468 17486.0834 0.0000 0.0000 34295.4116 -149103.0975 299.5104 -183398.5091 -149006.6290 298.7263 -217.3939 -183.0567 556421.5760 0.6375 0.5309 PRESSURE: 3061800 -10.4593 121.12 324.387 121.119 -70.115 21.413 324.386 21.4115 -128.467 GPRESSURE: 3061800 70.802 176.184 271.396 22.8401 -99.0298 10.3038 386.101 107.547 -88.8969 PRESSAVG: 3061800 -12.01 16.2546 54.7456 16.2547 27.1955 -61.1005 54.7456 -61.1006 -11.4355 GPRESSAVG: 3061800 -13.4907 15.4835 53.4702 15.9663 27.4509 -61.1633 53.5274 -60.9822 -9.95993 TIMING: 3061800 CPU: 9124.1, 0.00294006/step Wall: 9124.1, 0.00294006/step, 1.5829 hours remaining, 207.531250 MB of memory in use. ENERGY: 3061800 753.9407 2123.6351 1916.3491 105.1998 -205957.6717 17648.9885 0.0000 0.0000 34297.8721 -149111.6865 299.5318 -183409.5585 -149023.2403 299.3839 -69.6803 -39.0416 557602.3103 1.2500 1.3334 PRESSURE: 3062000 120.539 164.954 -93.9015 164.954 156.503 -6.63011 -93.9035 -6.62921 35.1257 GPRESSURE: 3062000 173.371 139.959 -69.8629 108.453 145.405 -33.3132 -50.3419 3.27441 90.5827 PRESSAVG: 3062000 5.35211 -9.5992 44.9095 -9.59913 -60.7912 -26.3833 44.9095 -26.3834 -27.8691 GPRESSAVG: 3062000 6.39409 -9.18322 46.3112 -9.22996 -60.8691 -25.849 46.5723 -27.5671 -28.8811 TIMING: 3062000 CPU: 9124.68, 0.00292953/step Wall: 9124.68, 0.00292953/step, 1.57706 hours remaining, 207.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3062000 728.9380 2154.5756 1938.4878 103.4087 -205976.3351 17757.1617 0.0000 0.0000 34341.1607 -148952.6027 299.9099 -183293.7634 -148854.0813 299.8938 104.0562 136.4527 555623.3120 -27.7694 -27.7853 PRESSURE: 3062200 -76.4243 -18.7581 -36.2004 -18.7579 101.189 -89.1719 -36.2003 -89.173 -329.305 GPRESSURE: 3062200 -84.276 -24.0186 -81.6018 62.9983 150.507 -129.083 6.90045 1.72361 -274.289 PRESSAVG: 3062200 26.0412 4.20565 46.7007 4.20574 14.9489 6.80132 46.7007 6.80125 13.2147 GPRESSAVG: 3062200 25.1991 5.3425 47.7696 2.21671 14.4628 4.93431 45.1064 8.49843 14.1379 TIMING: 3062200 CPU: 9125.27, 0.00293218/step Wall: 9125.27, 0.00293218/step, 1.57833 hours remaining, 207.531250 MB of memory in use. ENERGY: 3062200 747.1509 2053.2217 1980.1094 140.5983 -206099.6576 17726.3375 0.0000 0.0000 34483.9481 -148968.2917 301.1569 -183452.2398 -148860.4260 300.3944 -101.5135 -69.3527 557053.3571 18.0683 17.9333 PRESSURE: 3062400 36.9608 -4.18545 48.494 -4.18276 228.844 -57.8925 48.4938 -57.892 -0.768191 GPRESSURE: 3062400 55.6147 5.55916 29.0933 -67.8289 275.076 -73.9549 26.3925 -115.649 30.1192 PRESSAVG: 3062400 30.5846 8.81068 -25.633 8.81072 17.0802 -46.9244 -25.633 -46.9244 39.5631 GPRESSAVG: 3062400 31.4209 8.89179 -27.6348 10.64 16.6393 -45.8849 -25.1012 -49.7083 39.6486 TIMING: 3062400 CPU: 9125.86, 0.00293926/step Wall: 9125.86, 0.00293926/step, 1.58198 hours remaining, 207.531250 MB of memory in use. ENERGY: 3062400 718.6120 2132.4983 1927.5557 119.7694 -206120.0898 17975.1141 0.0000 0.0000 34263.8096 -148982.7307 299.2344 -183246.5403 -148889.7325 300.7248 88.3456 120.2701 557833.5623 29.0760 29.2363 PRESSURE: 3062600 102.188 -49.2566 158.133 -49.2574 11.7547 -13.7205 158.134 -13.7215 -50.0561 GPRESSURE: 3062600 175.124 -69.8777 219.847 -49.1535 29.202 -57.8322 194.952 -3.50805 -47.1695 PRESSAVG: 3062600 65.7182 21.6347 -3.70387 21.6347 -38.5445 -96.6352 -3.70387 -96.6353 -21.9902 GPRESSAVG: 3062600 65.133 21.2954 -3.59104 20.0956 -37.0539 -95.2378 -1.88674 -95.6685 -23.0281 TIMING: 3062600 CPU: 9126.44, 0.00292522/step Wall: 9126.44, 0.00292522/step, 1.57426 hours remaining, 207.531250 MB of memory in use. ENERGY: 3062600 729.9772 2126.3638 1948.6436 122.5055 -206005.8125 17787.1551 0.0000 0.0000 34277.8036 -149013.3638 299.3566 -183291.1674 -148917.4947 299.5163 21.2956 52.3854 558865.5540 1.7278 1.6837 PRESSURE: 3062800 78.0899 21.4052 -50.2533 21.4051 28.5003 77.0086 -50.255 77.008 56.4626 GPRESSURE: 3062800 172.298 6.05496 -57.3861 -23.9783 52.0316 29.1535 -43.6256 86.2763 47.681 PRESSAVG: 3062800 97.8195 51.4227 66.5798 51.4227 -101.161 -47.9651 66.5799 -47.965 4.21928 GPRESSAVG: 3062800 97.8674 52.5791 65.521 51.3219 -102.181 -49.8139 66.6693 -47.4771 5.03357 TIMING: 3062800 CPU: 9127.03, 0.00294623/step Wall: 9127.03, 0.00294623/step, 1.5854 hours remaining, 207.531250 MB of memory in use. ENERGY: 3062800 755.1721 2089.4502 1940.0485 127.7497 -206603.2878 18105.8607 0.0000 0.0000 34501.9143 -149083.0924 301.3138 -183585.0067 -148986.9886 300.1110 54.3509 90.6702 557398.9237 0.2927 0.2398 PRESSURE: 3063000 -121.971 -129.449 57.9358 -129.449 -248.902 -77.3605 57.9357 -77.3603 -210.54 GPRESSURE: 3063000 -62.2432 -89.6158 112.626 -170.021 -220.009 -12.8872 39.3833 -27.1862 -197.164 PRESSAVG: 3063000 4.26092 -57.6325 19.5335 -57.6326 -16.0794 -8.49568 19.5336 -8.49579 -13.4448 GPRESSAVG: 3063000 4.83384 -60.9779 19.6807 -54.9078 -15.9701 -8.39735 19.0213 -8.68182 -14.1766 TIMING: 3063000 CPU: 9127.62, 0.00293833/step Wall: 9127.62, 0.00293833/step, 1.58098 hours remaining, 207.531250 MB of memory in use. ENERGY: 3063000 729.1899 2074.7305 1931.8698 115.7778 -206070.9487 17604.7936 0.0000 0.0000 34390.0777 -149224.5093 300.3371 -183614.5870 -149126.9462 299.9368 -193.8041 -159.8056 558306.4456 -8.4211 -8.4376 PRESSURE: 3063200 -34.6671 55.9652 -4.84357 55.9648 54.3055 -88.428 -4.84291 -88.4282 -23.9225 GPRESSURE: 3063200 40.9441 37.4502 -79.6156 51.5058 61.8593 -173.879 0.503972 -134.504 -13.3191 PRESSAVG: 3063200 -34.3708 -46.6844 29.3536 -46.6846 18.6181 -13.3606 29.3536 -13.3607 -17.7099 GPRESSAVG: 3063200 -35.0166 -44.1308 29.6323 -48.734 18.0854 -14.1697 28.4462 -12.8258 -16.7705 TIMING: 3063200 CPU: 9128.21, 0.00292152/step Wall: 9128.21, 0.00292152/step, 1.57178 hours remaining, 207.531250 MB of memory in use. ENERGY: 3063200 745.5506 2037.7789 1927.0961 102.8776 -206424.1160 18114.3901 0.0000 0.0000 34153.3535 -149343.0693 298.2697 -183496.4227 -149244.6259 298.8566 -1.4281 29.8281 560018.6740 -11.1542 -11.2339 PRESSURE: 3063400 -191.342 52.1613 -77.631 52.1612 -198.853 -143.309 -77.6316 -143.309 -11.3512 GPRESSURE: 3063400 -209.963 6.38479 -120.311 71.806 -103.555 -149.589 -144.838 -94.0682 7.39805 PRESSAVG: 3063400 8.35393 23.0824 40.5914 23.0824 -45.7595 -56.9291 40.5912 -56.9288 19.2079 GPRESSAVG: 3063400 9.42511 21.0096 39.1594 25.2741 -44.4285 -56.5922 42.088 -57.4795 16.9044 TIMING: 3063400 CPU: 9128.79, 0.00293567/step Wall: 9128.79, 0.00293567/step, 1.57923 hours remaining, 207.531250 MB of memory in use. ENERGY: 3063400 779.1651 2055.7376 1928.7242 108.6346 -206515.1829 17897.5775 0.0000 0.0000 34192.2959 -149553.0480 298.6098 -183745.3439 -149458.8460 298.5015 -133.8487 -102.0399 559871.1121 -6.0659 -6.0330 PRESSURE: 3063600 -223.46 -0.0817924 -109.655 -0.0802543 64.9702 -37.0166 -109.654 -37.016 43.1142 GPRESSURE: 3063600 -161.413 80.1477 -129.369 56.2174 94.914 -33.3736 -99.613 81.7433 54.3627 PRESSAVG: 3063600 7.32279 -51.3069 -6.52724 -51.3068 -71.6399 -89.6947 -6.52728 -89.6949 71.3196 GPRESSAVG: 3063600 5.93434 -50.8537 -7.0678 -51.684 -71.9071 -89.9164 -7.14313 -88.0738 72.9 TIMING: 3063600 CPU: 9129.38, 0.00295112/step Wall: 9129.38, 0.00295112/step, 1.58738 hours remaining, 207.531250 MB of memory in use. ENERGY: 3063600 761.9664 2056.1781 1949.5400 104.4062 -206531.7530 18030.2511 0.0000 0.0000 34099.6802 -149529.7310 297.8010 -183629.4112 -149427.5897 298.1463 -38.4584 -4.0455 560139.6618 2.3342 2.3091 PRESSURE: 3063800 -229.405 113.461 -26.6453 113.462 -121.301 177.42 -26.6461 177.421 59.4435 GPRESSURE: 3063800 -201.178 88.4801 14.8693 135.529 -102.867 163.548 -76.1272 232.711 102.84 PRESSAVG: 3063800 -42.5734 34.2736 -38.6531 34.2735 -2.05545 -85.229 -38.653 -85.229 31.6444 GPRESSAVG: 3063800 -43.3876 34.1817 -36.8582 33.7029 -3.15258 -86.1104 -39.0549 -84.909 33.2938 TIMING: 3063800 CPU: 9129.98, 0.0029645/step Wall: 9129.98, 0.0029645/step, 1.5944 hours remaining, 207.531250 MB of memory in use. ENERGY: 3063800 726.3235 2102.6876 1938.2209 128.7769 -206350.3490 17733.7306 0.0000 0.0000 34243.8307 -149476.7788 299.0599 -183720.6095 -149385.9857 298.2924 -97.0874 -67.0682 559465.1092 -4.3282 -4.4155 PRESSURE: 3064000 95.1905 260.92 50.6752 260.919 48.4945 -68.999 50.6756 -68.9995 239.013 GPRESSURE: 3064000 74.6473 217.712 -111.141 248.855 104.718 -105.342 50.7051 -117.854 284.683 PRESSAVG: 3064000 18.9549 -10.3959 61.5962 -10.3959 -21.0584 15.2194 61.5963 15.2194 40.7998 GPRESSAVG: 3064000 20.0096 -8.42897 60.4254 -10.0286 -21.4126 15.4997 62.9316 14.2706 39.8544 TIMING: 3064000 CPU: 9130.57, 0.0029645/step Wall: 9130.57, 0.0029645/step, 1.59424 hours remaining, 207.531250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3064000 752.9929 2128.0688 1940.8169 114.0127 -206463.5221 18180.3091 0.0000 0.0000 34167.0737 -149180.2478 298.3896 -183347.3215 -149084.3331 298.7407 127.5661 154.6827 557711.4700 12.8988 12.8171 PRESSURE: 3064200 227.568 -6.7459 -290.937 -6.74645 113.223 12.8401 -290.937 12.839 -66.7393 GPRESSURE: 3064200 277.715 43.4709 -273.5 -95.9217 135.633 34.0849 -298.321 32.424 -35.6495 PRESSAVG: 3064200 -12.8401 -18.3999 -4.34117 -18.3998 -5.06538 36.6612 -4.34123 36.6612 -32.3582 GPRESSAVG: 3064200 -12.9198 -21.016 -3.53335 -19.7016 -5.14917 37.418 -7.6102 35.9019 -32.3796 TIMING: 3064200 CPU: 9131.16, 0.0029403/step Wall: 9131.16, 0.0029403/step, 1.58107 hours remaining, 207.531250 MB of memory in use. ENERGY: 3064200 734.4704 2175.1832 1928.9227 104.9630 -206338.1096 17919.9006 0.0000 0.0000 34204.0107 -149270.6591 298.7121 -183474.6697 -149166.9175 299.5492 91.3508 125.8994 558016.7417 -16.7545 -16.8162 LDB: ============= START OF LOAD BALANCING ============== 9134.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9134.7 LDB: =============== DONE WITH MIGRATION ================ 9134.7 LDB: ============= START OF LOAD BALANCING ============== 9135 LDB: Largest compute 4773 load 0.025195 is 21.3% of average load 0.118093 LDB: Average compute 0.001739 is 1.5% of average load 0.118093 LDB: TIME 9135 LOAD: AVG 0.118093 MAX 0.19721 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.387 MB LDB: TIME 9135 LOAD: AVG 0.118093 MAX 0.19721 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.406 MB LDB: TIME 9135 LOAD: AVG 0.118093 MAX 0.19721 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.406 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9135 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9135.01 PRESSURE: 3064400 -25.4057 123.208 -53.6046 123.208 -95.6513 37.0723 -53.6048 37.0717 -122.586 GPRESSURE: 3064400 -30.7716 120.915 -151.262 118.136 -2.007 50.8879 -13.6941 138.407 -117.206 PRESSAVG: 3064400 -5.08237 -26.0256 9.33792 -26.0255 -48.7086 46.7304 9.33785 46.7304 61.4505 GPRESSAVG: 3064400 -5.63289 -24.8226 8.59889 -27.3158 -48.0889 45.9326 10.9655 47.8617 61.2299 TIMING: 3064400 CPU: 9131.76, 0.00299942/step Wall: 9131.76, 0.00299942/step, 1.61269 hours remaining, 206.222656 MB of memory in use. ENERGY: 3064400 750.4680 2104.2300 1950.6891 109.3925 -206114.8760 17800.6318 0.0000 0.0000 34140.4611 -149259.0035 298.1571 -183399.4646 -149156.1549 299.2873 -81.2143 -49.9949 558652.8450 2.5532 2.5027 PRESSURE: 3064600 162.132 113.29 -72.9649 113.289 -100.463 18.2077 -72.9652 18.2077 235.014 GPRESSURE: 3064600 173.22 132.859 -34.5842 161.713 -37.7752 -38.964 -57.3753 40.3798 256.143 PRESSAVG: 3064600 -13.8191 -0.400267 50.8344 -0.400312 -14.6773 -37.6979 50.8345 -37.6979 21.3105 GPRESSAVG: 3064600 -13.4044 -0.507903 51.7196 1.0382 -14.8271 -38.279 51.4959 -38.1932 20.8944 TIMING: 3064600 CPU: 9132.35, 0.00295466/step Wall: 9132.35, 0.00295466/step, 1.58846 hours remaining, 206.257812 MB of memory in use. ENERGY: 3064600 775.1357 2112.7284 1933.3829 101.0045 -206441.2163 18045.0076 0.0000 0.0000 34394.4021 -149079.5551 300.3749 -183473.9572 -148982.6964 299.3707 98.8942 130.5294 557689.0347 -2.3953 -2.4457 PRESSURE: 3064800 -122.992 -73.0436 -74.1398 -73.044 -82.5473 36.2222 -74.1391 36.2226 120.894 GPRESSURE: 3064800 -94.8051 3.20243 -84.7572 -46.7621 -47.0022 117.151 -35.1552 107.042 151.37 PRESSAVG: 3064800 -30.7002 1.11666 12.0358 1.11662 -24.1437 -25.5318 12.0358 -25.5317 -13.634 GPRESSAVG: 3064800 -29.9417 2.37911 11.095 1.25077 -23.9642 -24.0558 13.2834 -25.9527 -13.971 TIMING: 3064800 CPU: 9132.94, 0.002948/step Wall: 9132.94, 0.002948/step, 1.58472 hours remaining, 206.257812 MB of memory in use. ENERGY: 3064800 740.8046 2157.6562 1931.2992 104.0198 -205972.0995 17894.5532 0.0000 0.0000 34020.2338 -149123.5328 297.1072 -183143.7666 -149028.1487 299.2523 -28.2153 3.1876 557952.8557 -22.8260 -22.6256 PRESSURE: 3065000 -52.1555 -172.671 -193.399 -172.671 -105.171 30.2541 -193.399 30.2554 -102.415 GPRESSURE: 3065000 -2.4321 -209.708 -206.176 -242.756 -59.9144 3.93872 -111.413 6.2535 -97.3059 PRESSAVG: 3065000 20.6667 -10.336 -65.9541 -10.336 -14.4527 -12.455 -65.9541 -12.455 2.99021 GPRESSAVG: 3065000 19.6888 -12.0731 -64.9336 -10.0796 -14.0366 -13.3894 -66.9611 -11.9446 4.31553 TIMING: 3065000 CPU: 9133.53, 0.0029497/step Wall: 9133.53, 0.0029497/step, 1.58546 hours remaining, 206.257812 MB of memory in use. ENERGY: 3065000 727.2499 2088.8387 1946.2173 115.3208 -205870.4025 17595.0212 0.0000 0.0000 34201.0020 -149196.7525 298.6859 -183397.7545 -149100.0819 299.2487 -86.5802 -53.2175 557375.1715 3.0681 3.3226 PRESSURE: 3065200 79.9009 124.704 81.9866 124.703 -95.4179 -138.109 81.986 -138.11 321.199 GPRESSURE: 3065200 106.061 79.7406 41.8064 120.822 -86.9087 -226.172 144.978 -109.819 378.458 PRESSAVG: 3065200 48.953 6.43635 -77.7938 6.4363 69.5461 -31.4846 -77.7938 -31.4846 -30.172 GPRESSAVG: 3065200 49.1376 6.06125 -77.9307 5.07641 67.7844 -29.765 -78.2692 -31.7498 -28.4664 TIMING: 3065200 CPU: 9134.11, 0.00293936/step Wall: 9134.11, 0.00293936/step, 1.57975 hours remaining, 206.257812 MB of memory in use. ENERGY: 3065200 748.7865 2085.3063 1922.8238 113.6419 -206668.1726 18014.8256 0.0000 0.0000 34492.9926 -149289.7958 301.2359 -183782.7885 -149193.1460 299.8557 101.8941 132.5366 555669.3989 29.4424 29.4852 PRESSURE: 3065400 -15.7735 78.4401 134.435 78.4421 -127.268 4.86241 134.435 4.8607 -186.066 GPRESSURE: 3065400 3.17365 79.5947 206.275 30.8297 -125.143 -13.1437 90.033 15.9747 -100.461 PRESSAVG: 3065400 19.0976 8.37259 40.0563 8.37266 -17.6669 -30.2141 40.0561 -30.214 -29.4309 GPRESSAVG: 3065400 18.8022 8.17774 39.36 8.92131 -16.2302 -30.4324 39.4947 -30.2453 -29.9779 TIMING: 3065400 CPU: 9134.71, 0.00295738/step Wall: 9134.71, 0.00295738/step, 1.58926 hours remaining, 206.257812 MB of memory in use. ENERGY: 3065400 744.4919 2118.5824 1936.2326 125.6538 -206053.2759 17565.4735 0.0000 0.0000 34140.2877 -149422.5540 298.1556 -183562.8417 -149321.5498 299.2458 -109.7025 -74.1433 556824.6200 -9.3334 -9.1353 PRESSURE: 3065600 -152.315 149.154 34.7409 149.154 -50.6343 -162.892 34.741 -162.892 -245.012 GPRESSURE: 3065600 -95.6842 122.97 140.676 201.126 -28.9842 -137.715 22.9615 -122.921 -240.585 PRESSAVG: 3065600 7.49209 36.203 -20.1709 36.203 59.1374 -57.264 -20.1708 -57.2641 -83.0151 GPRESSAVG: 3065600 7.81256 34.6333 -19.3829 36.9615 59.2151 -57.6429 -19.2861 -56.8035 -84.283 TIMING: 3065600 CPU: 9135.3, 0.00295769/step Wall: 9135.3, 0.00295769/step, 1.58926 hours remaining, 206.257812 MB of memory in use. ENERGY: 3065600 777.5027 2122.6854 1946.8053 99.0497 -206489.3237 17818.5359 0.0000 0.0000 34152.1420 -149572.6027 298.2591 -183724.7446 -149475.6276 298.1822 -149.3205 -121.7512 558191.2901 -5.4619 -5.7518 PRESSURE: 3065800 104.336 338.412 17.0179 338.413 -234.038 185.868 17.0183 185.869 28.6555 GPRESSURE: 3065800 33.5824 316.189 -59.1697 278.849 -150.241 62.8801 51.2506 240.109 114.241 PRESSAVG: 3065800 59.5145 66.2867 16.5997 66.2867 -11.1873 -38.0322 16.5997 -38.0322 -32.3295 GPRESSAVG: 3065800 60.1663 67.8419 15.4952 63.8898 -11.3381 -38.6207 15.4926 -37.1256 -32.9325 TIMING: 3065800 CPU: 9135.89, 0.00294903/step Wall: 9135.89, 0.00294903/step, 1.58445 hours remaining, 206.257812 MB of memory in use. ENERGY: 3065800 743.5367 2184.7852 1936.4087 116.1494 -206607.5061 17829.7825 0.0000 0.0000 34193.3096 -149603.5340 298.6187 -183796.8436 -149507.7409 298.8711 -33.6824 -0.8061 556312.1711 5.3326 5.2986 PRESSURE: 3066000 65.4006 60.3185 -20.5165 60.3184 154.898 112.196 -20.5162 112.197 71.3241 GPRESSURE: 3066000 143.033 114.423 -0.275851 26.1706 178.521 68.3758 -5.69629 71.9729 67.2868 PRESSAVG: 3066000 31.5122 33.7085 -10.5362 33.7086 -2.3666 53.0827 -10.5361 53.0829 -43.2823 GPRESSAVG: 3066000 30.8203 34.751 -9.63943 34.6199 -0.95131 51.6477 -10.3023 55.1056 -43.7199 TIMING: 3066000 CPU: 9136.48, 0.00293748/step Wall: 9136.48, 0.00293748/step, 1.57808 hours remaining, 206.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3066000 746.7582 2152.7098 1952.3382 110.0389 -206381.4666 17852.5358 0.0000 0.0000 33900.8520 -149666.2337 296.0646 -183567.0857 -149575.0941 298.2637 97.2077 129.6135 555370.4135 -4.7122 -4.6170 PRESSURE: 3066200 -200.313 57.1355 92.226 57.134 -358.649 46.0053 92.2261 46.004 -47.7836 GPRESSURE: 3066200 -188.636 6.28993 14.4055 132.529 -303.73 70.6792 87.3189 122.593 -21.7247 PRESSAVG: 3066200 24.5603 84.4867 -17.0086 84.4868 42.2879 36.8237 -17.0086 36.8236 -27.2376 GPRESSAVG: 3066200 24.3404 85.0588 -18.3486 83.9821 40.5329 39.0051 -14.9992 33.9545 -25.0851 TIMING: 3066200 CPU: 9137.06, 0.00293378/step Wall: 9137.06, 0.00293378/step, 1.57593 hours remaining, 206.257812 MB of memory in use. ENERGY: 3066200 746.3148 2086.0037 1935.5780 107.8614 -206412.2846 17612.3796 0.0000 0.0000 34289.7001 -149634.4471 299.4605 -183924.1471 -149545.4109 297.9643 -202.2485 -171.3635 556425.3776 13.2035 13.2627 PRESSURE: 3066400 -11.9805 -45.1389 -69.8114 -45.1372 -33.2549 -35.0863 -69.8113 -35.0868 -265.618 GPRESSURE: 3066400 25.5884 -49.3468 -55.6595 -84.3816 3.50788 -46.3033 43.9781 -15.3809 -252.29 PRESSAVG: 3066400 16.2384 9.07601 22.6308 9.07605 -55.7814 -18.0709 22.6309 -18.071 1.32916 GPRESSAVG: 3066400 16.4539 8.86428 23.6139 8.91697 -55.3773 -21.186 22.2295 -18.3037 0.504872 TIMING: 3066400 CPU: 9137.65, 0.00294218/step Wall: 9137.65, 0.00294218/step, 1.58028 hours remaining, 206.257812 MB of memory in use. ENERGY: 3066400 750.9413 2098.2578 1956.4714 121.9141 -206742.4509 17891.7290 0.0000 0.0000 34299.9082 -149623.2292 299.5496 -183923.1374 -149530.0143 297.9783 -103.6178 -74.3980 557901.5192 -12.7380 -12.8062 PRESSURE: 3066600 -187.226 185.476 -41.5157 185.477 64.4276 -22.4384 -41.5155 -22.4379 -16.6559 GPRESSURE: 3066600 -125.161 161.44 -55.6711 146.449 97.1206 -47.7012 -24.4245 -23.3328 -22.6211 PRESSAVG: 3066600 -4.61282 44.3696 -1.89355 44.3696 7.51462 37.775 -1.89346 37.775 58.9681 GPRESSAVG: 3066600 -5.20313 44.5319 -2.47129 44.1586 8.16157 38.2551 -2.53409 37.5089 59.2581 TIMING: 3066600 CPU: 9138.24, 0.00296438/step Wall: 9138.24, 0.00296438/step, 1.59204 hours remaining, 206.257812 MB of memory in use. ENERGY: 3066600 742.2807 2127.8261 1944.3647 102.8752 -206092.5794 17682.9733 0.0000 0.0000 34186.7361 -149305.5231 298.5613 -183492.2593 -149206.9301 298.8158 -46.4848 -16.8870 557523.7700 20.6233 20.7389 PRESSURE: 3066800 100.498 130.117 -47.0407 130.116 -175.129 -206.064 -47.0413 -206.064 -27.5432 GPRESSURE: 3066800 149 220.815 -102.743 170.122 -175.709 -243.357 13.3331 -143.785 23.8819 PRESSAVG: 3066800 5.97393 53.849 13.3567 53.849 21.9637 8.28122 13.3567 8.28113 -38.5952 GPRESSAVG: 3066800 6.99814 53.5386 13.2258 55.8648 21.0607 8.67385 13.7173 9.56614 -39.2303 TIMING: 3066800 CPU: 9138.84, 0.00298922/step Wall: 9138.84, 0.00298922/step, 1.60521 hours remaining, 206.257812 MB of memory in use. ENERGY: 3066800 724.0914 2108.3704 1950.9485 111.5870 -205959.2716 17660.7824 0.0000 0.0000 34020.6914 -149382.8005 297.1112 -183403.4919 -149283.8029 298.2600 -34.0580 -0.9424 557505.0740 -3.5525 -3.7238 PRESSURE: 3067000 -0.786982 109.379 87.7626 109.378 305.589 -189.334 87.7631 -189.333 -22.8041 GPRESSURE: 3067000 36.1283 205.126 25.1796 94.877 340.404 -94.8047 108.535 -244.461 2.99435 PRESSAVG: 3067000 25.7692 18.5361 57.4722 18.536 56.4111 -13.8902 57.4722 -13.8902 -27.9353 GPRESSAVG: 3067000 24.1838 16.7713 58.8996 20.0008 57.828 -14.643 55.0155 -13.6096 -27.7277 TIMING: 3067000 CPU: 9139.44, 0.00299131/step Wall: 9139.44, 0.00299131/step, 1.60617 hours remaining, 206.257812 MB of memory in use. ENERGY: 3067000 727.9868 2072.6942 1938.0015 101.5651 -206942.3100 18275.8910 0.0000 0.0000 34430.4386 -149395.7327 300.6896 -183826.1713 -149288.9040 299.0941 93.9994 126.5088 557814.4852 18.0817 18.0947 PRESSURE: 3067200 309.299 32.7945 23.2414 32.7967 -71.1575 -95.7404 23.2412 -95.7401 -229.188 GPRESSURE: 3067200 341.787 51.0137 -64.4516 50.8938 -20.6425 -126.23 78.6259 -137.029 -213.023 PRESSAVG: 3067200 7.05261 12.221 -49.2387 12.2211 -1.93316 -74.1704 -49.2387 -74.1705 -0.45964 GPRESSAVG: 3067200 7.48045 15.1533 -50.517 9.99729 -2.01764 -72.8553 -45.7301 -76.482 -0.849907 TIMING: 3067200 CPU: 9140.03, 0.00296267/step Wall: 9140.03, 0.00296267/step, 1.59062 hours remaining, 206.257812 MB of memory in use. ENERGY: 3067200 742.1077 2089.1732 1923.6743 117.4743 -206564.6965 18020.7875 0.0000 0.0000 34312.1406 -149359.3390 299.6565 -183671.4795 -149253.6705 299.2864 2.9845 36.0406 558093.0761 1.5533 1.5376 PRESSURE: 3067400 -106.16 -98.8447 132.5 -98.8462 -100.3 -184.533 132.501 -184.533 13.5302 GPRESSURE: 3067400 -31.1144 -128.956 100.647 -98.3424 -131.857 -164.622 180.026 -171.713 67.6558 PRESSAVG: 3067400 -1.27255 -1.09173 22.5949 -1.09169 -11.3143 -47.8011 22.5949 -47.8011 12.6513 GPRESSAVG: 3067400 -0.203561 -0.0801365 22.1645 -1.37508 -12.1301 -47.4922 22.2373 -47.7688 12.1471 TIMING: 3067400 CPU: 9140.63, 0.00296578/step Wall: 9140.63, 0.00296578/step, 1.59213 hours remaining, 206.257812 MB of memory in use. ENERGY: 3067400 756.2977 2095.2578 1941.7313 106.4277 -206166.6267 17862.3905 0.0000 0.0000 34128.9096 -149275.6121 298.0563 -183404.5217 -149178.4091 299.7688 -64.3098 -31.7720 557767.6774 0.0215 -0.0622 PRESSURE: 3067600 138.844 79.9967 -109.781 79.997 56.2597 89.5401 -109.782 89.5399 -98.2282 GPRESSURE: 3067600 134.86 116.281 -86.253 52.4573 93.4708 105.548 -42.9665 82.9953 -25.4427 PRESSAVG: 3067600 -39.2541 24.5239 -62.9792 24.5238 45.5838 -5.25954 -62.9792 -5.2596 -19.2616 GPRESSAVG: 3067600 -39.9053 24.7586 -63.2771 24.1054 46.1894 -5.81531 -63.8129 -5.1625 -19.4647 TIMING: 3067600 CPU: 9141.22, 0.00299161/step Wall: 9141.22, 0.00299161/step, 1.60583 hours remaining, 206.257812 MB of memory in use. ENERGY: 3067600 749.7414 2061.3938 1957.8139 112.4756 -206782.1154 18114.8382 0.0000 0.0000 34323.7711 -149462.0814 299.7580 -183785.8525 -149363.2040 298.9625 32.2917 67.6295 557255.9807 -4.3106 -4.3935 PRESSURE: 3067800 -127.124 -158.78 148.357 -158.781 -81.9856 -14.3513 148.357 -14.3508 -178.821 GPRESSURE: 3067800 -48.071 -146.352 162.179 -202.537 -109.679 -4.30512 155.872 -4.23535 -133.78 PRESSAVG: 3067800 10.7327 11.8005 9.35786 11.8005 -33.3307 21.19 9.35788 21.1901 51.9011 GPRESSAVG: 3067800 9.04337 9.02707 9.7938 14.5108 -33.2416 20.9426 8.84573 21.9695 53.4363 TIMING: 3067800 CPU: 9141.82, 0.00295944/step Wall: 9141.82, 0.00295944/step, 1.5884 hours remaining, 206.257812 MB of memory in use. ENERGY: 3067800 763.1214 2138.5195 1931.7085 105.8558 -206413.4766 17865.6323 0.0000 0.0000 34079.5015 -149529.1376 297.6248 -183608.6392 -149431.6037 299.1398 -129.3101 -97.1765 559380.8270 9.7677 9.7460 PRESSURE: 3068000 -236.71 84.4702 33.3912 84.4704 8.51683 -59.0608 33.3918 -59.0595 -56.6809 GPRESSURE: 3068000 -173.538 13.1166 10.7804 97.7574 49.5968 -27.5104 109.954 -6.48947 -61.8362 PRESSAVG: 3068000 8.42611 16.3694 8.73053 16.3695 18.1983 16.6259 8.73062 16.626 -36.8977 GPRESSAVG: 3068000 10.2124 17.6156 7.72264 14.6895 18.1055 18.3356 9.08739 15.6247 -38.3584 TIMING: 3068000 CPU: 9142.41, 0.00294938/step Wall: 9142.41, 0.00294938/step, 1.58283 hours remaining, 206.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3068000 771.6744 2109.1912 1983.8761 109.2063 -206073.0237 17758.0793 0.0000 0.0000 34163.2818 -149177.7146 298.3564 -183340.9964 -149087.4505 298.6848 -94.9581 -61.9259 557701.4595 -3.4244 -3.3468 PRESSURE: 3068200 -286.162 -82.1927 -145.654 -82.1932 2.87217 70.2348 -145.655 70.2343 -349.95 GPRESSURE: 3068200 -225.693 -141.987 -168.507 -58.2155 9.15049 77.26 -56.0042 25.2414 -318.724 PRESSAVG: 3068200 19.8964 4.33945 26.7782 4.33936 20.4243 0.0460598 26.7781 0.0459813 -21.4164 GPRESSAVG: 3068200 20.1136 1.90292 26.5404 6.13898 19.5183 -1.60969 24.9857 1.76664 -20.7338 TIMING: 3068200 CPU: 9142.99, 0.00294685/step Wall: 9142.99, 0.00294685/step, 1.58131 hours remaining, 206.257812 MB of memory in use. ENERGY: 3068200 816.2104 2083.4876 1947.5734 120.6214 -206187.2964 17731.8940 0.0000 0.0000 34354.0953 -149133.4143 300.0229 -183487.5096 -149037.9597 300.1514 -211.0800 -178.4220 557765.0716 6.3014 6.2994 LDB: ============= START OF LOAD BALANCING ============== 9146.54 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9146.54 LDB: =============== DONE WITH MIGRATION ================ 9146.54 LDB: ============= START OF LOAD BALANCING ============== 9146.84 LDB: Largest compute 4773 load 0.024071 is 20.4% of average load 0.118226 LDB: Average compute 0.001736 is 1.5% of average load 0.118226 LDB: TIME 9146.84 LOAD: AVG 0.118226 MAX 0.197471 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.281 MB LDB: TIME 9146.84 LOAD: AVG 0.118226 MAX 0.197471 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: TIME 9146.84 LOAD: AVG 0.118226 MAX 0.197471 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: ============== END OF LOAD BALANCING =============== 9146.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9146.85 PRESSURE: 3068400 106.827 24.0057 106.927 24.0043 114.102 6.25046 106.928 6.24951 -58.2281 GPRESSURE: 3068400 140.492 29.8188 -8.71018 21.2127 155.502 71.7233 118.323 73.9552 -35.876 PRESSAVG: 3068400 -5.12368 -42.0438 25.7565 -42.0439 60.1378 -5.12927 25.7566 -5.12931 -37.2938 GPRESSAVG: 3068400 -6.70227 -40.6311 26.4646 -43.9401 62.5144 -5.45956 25.9615 -6.22521 -37.9414 TIMING: 3068400 CPU: 9143.6, 0.0030033/step Wall: 9143.6, 0.0030033/step, 1.61144 hours remaining, 207.246094 MB of memory in use. ENERGY: 3068400 726.6595 2095.6576 1955.9682 116.6984 -206309.8562 17891.3182 0.0000 0.0000 34256.5795 -149266.9749 299.1712 -183523.5544 -149162.2974 299.8517 54.2335 86.7058 555712.3340 5.9068 5.9569 PRESSURE: 3068600 -91.533 142.587 90.8417 142.586 -36.7255 156.103 90.8403 156.102 142.973 GPRESSURE: 3068600 -84.7113 158.878 129.906 187.651 9.30397 246.399 80.8088 46.4974 189.343 PRESSAVG: 3068600 48.8069 5.80378 20.0778 5.80385 -55.1088 -28.4947 20.0778 -28.4947 20.3874 GPRESSAVG: 3068600 49.2273 5.0038 17.9891 5.83308 -56.7972 -28.9349 20.1886 -27.1719 21.3699 TIMING: 3068600 CPU: 9144.18, 0.00293391/step Wall: 9144.18, 0.00293391/step, 1.57404 hours remaining, 207.246094 MB of memory in use. ENERGY: 3068600 777.1271 2026.7926 1918.8903 117.4467 -206388.5725 17965.4452 0.0000 0.0000 34206.4786 -149376.3920 298.7337 -183582.8706 -149280.0899 298.9401 4.9049 37.9784 556596.7371 4.6952 4.6000 PRESSURE: 3068800 143.752 141.102 57.7503 141.103 149.096 -60.7373 57.7499 -60.7369 -104.067 GPRESSURE: 3068800 150.986 57.518 6.20143 178.307 183.804 -48.4876 19.9759 10.3788 -31.3482 PRESSAVG: 3068800 -3.4913 4.96059 11.5173 4.96053 -42.1721 -51.0761 11.5172 -51.0761 58.9178 GPRESSAVG: 3068800 -3.11268 6.77566 13.3641 5.58342 -43.1542 -49.8011 12.0853 -52.9913 59.7036 TIMING: 3068800 CPU: 9144.77, 0.00295507/step Wall: 9144.77, 0.00295507/step, 1.58523 hours remaining, 207.246094 MB of memory in use. ENERGY: 3068800 725.1296 2137.1130 1903.6369 122.7916 -206344.6518 17769.5852 0.0000 0.0000 34349.5624 -149336.8331 299.9833 -183686.3955 -149240.3817 299.2744 62.9270 101.1472 556216.6932 4.4182 4.4789 PRESSURE: 3069000 248.437 -43.4298 120.75 -43.43 -42.232 -175.124 120.75 -175.125 137.31 GPRESSURE: 3069000 223.474 24.5476 155.143 -76.3379 41.2432 -140.676 40.3289 -156.853 189.326 PRESSAVG: 3069000 -20.8001 28.4063 -28.8567 28.4063 89.8128 -5.71559 -28.8568 -5.7156 -58.4961 GPRESSAVG: 3069000 -20.7648 28.8551 -30.4194 29.1436 91.1399 -5.16459 -28.3983 -7.39479 -59.6385 TIMING: 3069000 CPU: 9145.36, 0.00295832/step Wall: 9145.36, 0.00295832/step, 1.58681 hours remaining, 207.246094 MB of memory in use. ENERGY: 3069000 725.5156 2105.1587 1972.7294 112.6340 -206832.4440 17999.5379 0.0000 0.0000 34506.9349 -149409.9336 301.3576 -183916.8685 -149311.8917 299.4326 114.5048 151.3480 555501.1090 3.5055 3.5789 PRESSURE: 3069200 -78.3098 101.427 -112.68 101.428 275.853 35.9168 -112.679 35.9163 123.992 GPRESSURE: 3069200 -26.7026 157.762 -140.573 82.7714 346.018 58.8955 -119.492 30.4717 93.3943 PRESSAVG: 3069200 22.9483 -2.38876 -29.4814 -2.38882 33.1716 -1.73592 -29.4815 -1.73592 -45.5415 GPRESSAVG: 3069200 22.3418 -2.14344 -26.1584 -3.49829 32.3607 -2.47149 -29.5123 -0.00809437 -44.6091 TIMING: 3069200 CPU: 9145.95, 0.00294878/step Wall: 9145.95, 0.00294878/step, 1.58153 hours remaining, 207.246094 MB of memory in use. ENERGY: 3069200 736.5592 2098.4522 1939.7106 108.3818 -206266.0116 17938.5525 0.0000 0.0000 34282.9098 -149161.4455 299.4012 -183444.3553 -149071.7920 299.8185 107.1782 137.5698 555312.8224 3.5261 3.3645 PRESSURE: 3069400 -77.2949 20.2765 -136.88 20.2767 -275.376 100.437 -136.882 100.434 52.6862 GPRESSURE: 3069400 7.49282 -71.945 -144.332 143.152 -242.441 82.5414 -113.437 68.9813 34.461 PRESSAVG: 3069400 -27.6276 -58.2176 -13.5646 -58.2177 -8.70075 33.9819 -13.5646 33.9817 53.3953 GPRESSAVG: 3069400 -27.2544 -60.2264 -13.8646 -57.0675 -7.63291 32.5718 -14.8167 34.2132 52.4091 TIMING: 3069400 CPU: 9146.54, 0.00293538/step Wall: 9146.54, 0.00293538/step, 1.57418 hours remaining, 207.246094 MB of memory in use. ENERGY: 3069400 752.9376 2097.3465 1928.8176 113.7864 -205796.1664 17549.5414 0.0000 0.0000 34137.6743 -149216.0627 298.1328 -183353.7370 -149122.8534 300.0715 -99.9948 -66.8292 556788.1281 5.6890 5.8406 PRESSURE: 3069600 -35.8227 -13.8272 153.769 -13.8267 -31.4721 -24.9035 153.767 -24.9019 66.156 GPRESSURE: 3069600 -30.1202 14.155 116.637 -17.3279 -8.39236 27.0475 193.819 -51.938 142.819 PRESSAVG: 3069600 16.9529 -14.6202 -19.9333 -14.6203 -6.0357 1.34773 -19.9333 1.34781 -17.1691 GPRESSAVG: 3069600 17.4345 -13.8365 -20.1301 -14.4661 -6.55937 2.76424 -18.0848 0.8331 -17.4825 TIMING: 3069600 CPU: 9147.12, 0.0029123/step Wall: 9147.12, 0.0029123/step, 1.56164 hours remaining, 207.246094 MB of memory in use. ENERGY: 3069600 769.9535 2084.3022 1939.6238 96.5411 -206257.6123 17817.3125 0.0000 0.0000 34194.1569 -149355.7224 298.6261 -183549.8793 -149261.5061 299.2401 -0.3796 34.7687 556276.6606 -2.0840 -2.2025 PRESSURE: 3069800 46.5553 -24.4844 -55.3685 -24.4848 -248.952 -97.6005 -55.3684 -97.6005 -47.723 GPRESSURE: 3069800 104.721 -104.29 -22.9845 20.4402 -247.402 -6.71846 -52.9086 -78.553 -2.66457 PRESSAVG: 3069800 7.84105 82.2739 -42.1134 82.2739 -34.7984 8.85554 -42.1134 8.85555 29.8673 GPRESSAVG: 3069800 7.2946 84.4499 -40.9473 79.1913 -35.3157 9.0065 -42.642 9.69595 31.0665 TIMING: 3069800 CPU: 9147.71, 0.00290982/step Wall: 9147.71, 0.00290982/step, 1.56015 hours remaining, 207.246094 MB of memory in use. ENERGY: 3069800 727.7466 2093.5762 1916.7768 112.4786 -206222.2545 17636.6889 0.0000 0.0000 34317.3762 -149417.6111 299.7022 -183734.9874 -149320.7155 298.4221 -83.3733 -48.4487 555460.0852 0.9700 1.0151 PRESSURE: 3070000 57.9002 -10.1314 81.7507 -10.1314 -192.401 81.5201 81.7503 81.5219 106.92 GPRESSURE: 3070000 7.53852 1.06679 99.3442 16.9372 -91.7974 29.9474 8.68911 75.793 148.162 PRESSAVG: 3070000 -6.1827 -10.2515 0.346354 -10.2514 21.096 22.5751 0.346401 22.5752 -8.35297 GPRESSAVG: 3070000 -6.07456 -13.5167 -0.0798898 -7.4589 20.8585 22.8966 0.916002 20.8693 -8.35939 TIMING: 3070000 CPU: 9148.29, 0.00293703/step Wall: 9148.29, 0.00293703/step, 1.57457 hours remaining, 207.246094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3070000 744.5538 2051.7152 1926.0766 108.3344 -205850.8545 17561.1530 0.0000 0.0000 34117.2981 -149341.7234 297.9549 -183459.0215 -149243.0483 298.3275 -9.1937 21.3011 555559.2205 2.1868 2.1415 PRESSURE: 3070200 -263.757 36.5184 -96.2637 36.5173 47.4229 -43.6879 -96.2639 -43.6883 -277.874 GPRESSURE: 3070200 -265.401 43.1181 -133.243 -8.08927 105.173 -103.044 -98.8509 -31.5091 -236.54 PRESSAVG: 3070200 -23.2833 57.2915 15.5112 57.2915 9.21521 18.9167 15.5112 18.9168 4.99456 GPRESSAVG: 3070200 -23.305 59.9912 15.9346 55.4597 8.5731 18.1133 14.9958 20.4753 5.49237 TIMING: 3070200 CPU: 9148.88, 0.0029152/step Wall: 9148.88, 0.0029152/step, 1.56271 hours remaining, 207.480469 MB of memory in use. ENERGY: 3070200 743.3910 2021.0462 1937.4460 103.2150 -205808.2132 17465.8278 0.0000 0.0000 34242.1873 -149295.0999 299.0455 -183537.2872 -149201.2313 298.7993 -164.7362 -132.2559 557858.7198 -3.0245 -3.0798 PRESSURE: 3070400 332.712 60.6671 -61.7416 60.6674 205.66 111.989 -61.7402 111.99 176.878 GPRESSURE: 3070400 372.095 78.8886 47.4442 85.1805 239.133 4.379 -105.113 204.597 202.144 PRESSAVG: 3070400 -22.7229 56.0887 -0.919212 56.0887 -37.6635 38.2653 -0.919254 38.2654 31.2299 GPRESSAVG: 3070400 -22.266 53.2629 -0.638653 57.1224 -37.8299 39.3693 -0.813545 38.7963 31.3034 TIMING: 3070400 CPU: 9149.46, 0.00293618/step Wall: 9149.46, 0.00293618/step, 1.5738 hours remaining, 207.480469 MB of memory in use. ENERGY: 3070400 726.6935 2063.6757 1963.3692 105.3503 -206659.7635 18223.6474 0.0000 0.0000 34197.5926 -149379.4349 298.6561 -183577.0275 -149283.2365 299.3212 238.4168 271.1240 556591.4617 -9.7188 -9.5975 PRESSURE: 3070600 66.8004 -107.61 42.1009 -107.611 16.5891 -25.7266 42.1002 -25.7276 3.7448 GPRESSURE: 3070600 129.958 -17.3864 42.4796 -121.735 -7.15957 111.132 71.3192 -85.5429 54.8277 PRESSAVG: 3070600 88.5082 -2.16246 -19.9942 -2.16255 13.8506 10.3419 -19.9941 10.342 -44.8964 GPRESSAVG: 3070600 87.8507 -0.510126 -21.7707 -3.52382 14.739 10.3735 -20.9676 7.94998 -45.1715 TIMING: 3070600 CPU: 9150.05, 0.00295416/step Wall: 9150.05, 0.00295415/step, 1.58326 hours remaining, 207.480469 MB of memory in use. ENERGY: 3070600 735.7955 2105.7211 1927.5872 113.4514 -206252.6210 17865.8485 0.0000 0.0000 34153.0598 -149351.1575 298.2672 -183504.2173 -149250.5379 299.3963 29.0448 59.2086 556420.2531 19.1541 19.1394 PRESSURE: 3070800 -95.6928 -54.573 92.9651 -54.5745 -238.737 -146.461 92.9645 -146.462 -21.843 GPRESSURE: 3070800 -6.50635 -24.3052 127.413 -69.0592 -228.031 -86.6349 94.6759 -187.307 -13.7255 PRESSAVG: 3070800 -2.53781 22.5612 17.073 22.5611 -72.844 12.6574 17.073 12.6573 81.6181 GPRESSAVG: 3070800 -2.65272 21.8301 17.1095 24.9804 -72.5012 13.2334 17.1375 12.431 81.5373 TIMING: 3070800 CPU: 9150.64, 0.00291681/step Wall: 9150.64, 0.00291681/step, 1.56309 hours remaining, 207.480469 MB of memory in use. ENERGY: 3070800 737.1818 2084.0199 1942.9906 108.7510 -206494.9220 17801.6489 0.0000 0.0000 34498.0518 -149322.2782 301.2801 -183820.3299 -149227.9059 299.2068 -118.7577 -82.7542 556819.2976 2.0788 2.1278 PRESSURE: 3071000 30.7104 -137.094 -16.1498 -137.094 247.316 36.7722 -16.1487 36.7721 -129.429 GPRESSURE: 3071000 83.2332 -110.526 -13.63 -117.533 299.612 26.3164 12.4136 13.3727 -145.125 PRESSAVG: 3071000 -62.68 39.677 -67.7448 39.6771 6.85933 2.4677 -67.7447 2.46754 14.0591 GPRESSAVG: 3071000 -62.0881 39.8453 -67.6673 37.6302 6.84331 0.982678 -66.5241 3.19715 13.4199 TIMING: 3071000 CPU: 9151.22, 0.00292507/step Wall: 9151.22, 0.00292507/step, 1.56735 hours remaining, 207.480469 MB of memory in use. ENERGY: 3071000 758.4539 2078.0737 1928.4056 106.1905 -206591.7782 18008.0522 0.0000 0.0000 34224.5716 -149488.0308 298.8917 -183712.6024 -149388.7756 299.0254 49.5322 79.2400 557881.9667 -13.9205 -13.9416 PRESSURE: 3071200 43.1885 175.997 -106.035 175.997 113.053 -31.7443 -106.036 -31.7434 -43.7261 GPRESSURE: 3071200 72.2917 244.558 -147.987 115.117 129.11 -2.23796 67.6328 -73.7065 5.53622 PRESSAVG: 3071200 10.4901 27.9092 -57.3733 27.9092 54.3452 9.84691 -57.3733 9.84694 -41.4821 GPRESSAVG: 3071200 9.68636 26.7119 -57.5767 26.6888 54.3896 10.0803 -58.9559 9.06362 -40.6067 TIMING: 3071200 CPU: 9151.8, 0.00291018/step Wall: 9151.8, 0.00291018/step, 1.55921 hours remaining, 207.480469 MB of memory in use. ENERGY: 3071200 737.6649 2106.9902 1951.8316 109.0108 -206431.9549 17904.2023 0.0000 0.0000 34165.5278 -149456.7274 298.3761 -183622.2552 -149363.6276 298.5397 37.5050 68.9793 556989.0705 7.7844 7.8231 PRESSURE: 3071400 -83.7132 15.1287 -173.409 15.1289 -79.6024 19.8897 -173.41 19.8883 -140.148 GPRESSURE: 3071400 -29.0468 5.04831 -155.727 42.1044 -4.29112 43.7149 -137.221 47.3673 -167.344 PRESSAVG: 3071400 32.1477 29.7978 -9.2221 29.7979 22.1327 18.2117 -9.22211 18.2118 -11.7529 GPRESSAVG: 3071400 31.4193 31.2268 -10.1482 31.6129 22.6988 15.9084 -8.63792 19.7927 -11.6317 TIMING: 3071400 CPU: 9152.39, 0.00291939/step Wall: 9152.39, 0.00291939/step, 1.56398 hours remaining, 207.480469 MB of memory in use. ENERGY: 3071400 730.3721 2114.9631 1920.4464 129.5199 -206141.6585 17691.5003 0.0000 0.0000 34027.0470 -149527.8097 297.1667 -183554.8567 -149435.2586 298.1739 -101.1546 -66.8939 558123.9077 14.1758 14.1621 PRESSURE: 3071600 -3.43985 -3.73641 41.035 -3.73599 322.771 -127.412 41.0344 -127.412 126.651 GPRESSURE: 3071600 50.4057 -12.719 40.5952 -43.1785 326.268 -165.438 -9.6262 -89.9555 160.508 PRESSAVG: 3071600 -16.6811 5.53399 20.2427 5.53405 56.4988 -7.8422 20.2427 -7.84227 -18.6543 GPRESSAVG: 3071600 -14.4775 6.53345 20.9226 4.97546 55.242 -5.89846 18.8767 -8.04049 -20.0609 TIMING: 3071600 CPU: 9152.97, 0.00292808/step Wall: 9152.97, 0.00292808/step, 1.56847 hours remaining, 207.480469 MB of memory in use. ENERGY: 3071600 755.9446 2092.7174 1970.7309 112.3066 -206372.2945 18019.8611 0.0000 0.0000 34103.1948 -149317.5391 297.8317 -183420.7340 -149220.7312 298.7124 148.6608 179.0607 556983.6346 7.0545 6.9012 PRESSURE: 3071800 -251.909 -8.47738 37.5084 -8.47737 105.448 9.40249 37.5093 9.40138 -29.5837 GPRESSURE: 3071800 -170.54 115.526 -4.44214 -30.3014 116.942 -8.34378 42.308 41.2453 -43.655 PRESSAVG: 3071800 -13.6852 5.29646 -5.28184 5.29654 59.7161 83.5591 -5.28189 83.5592 -12.8406 GPRESSAVG: 3071800 -14.8006 3.38867 -4.32682 5.65252 60.6894 82.0981 -5.04782 82.1764 -13.0419 TIMING: 3071800 CPU: 9153.56, 0.00291073/step Wall: 9153.56, 0.00291073/step, 1.55902 hours remaining, 207.480469 MB of memory in use. ENERGY: 3071800 774.6731 2125.4021 1924.8898 122.8001 -206055.2335 17739.8552 0.0000 0.0000 34185.2477 -149182.3655 298.5483 -183367.6132 -149080.6564 298.8282 -58.6816 -32.4178 557617.2631 11.0635 10.9490 PRESSURE: 3072000 -113.092 -162.205 -24.5988 -162.206 69.7889 57.2475 -24.5982 57.2479 -302.75 GPRESSURE: 3072000 -56.5562 -47.1664 -78.2861 -154.797 73.1664 81.6839 -32.6385 91.2487 -270.34 PRESSAVG: 3072000 -21.7693 17.899 -45.2692 17.8989 7.98928 29.3936 -45.2692 29.3937 11.1123 GPRESSAVG: 3072000 -22.0116 19.5981 -46.369 16.7479 6.30671 31.3063 -45.6078 30.7885 12.7679 TIMING: 3072000 CPU: 9154.15, 0.00294426/step Wall: 9154.15, 0.00294426/step, 1.57682 hours remaining, 207.480469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3072000 742.4334 2106.6150 1947.9229 109.9112 -205869.3952 17633.0929 0.0000 0.0000 34082.5037 -149246.9161 297.6510 -183329.4198 -149150.3730 299.1714 -115.3511 -84.5768 558425.7220 -0.8892 -0.9790 PRESSURE: 3072200 339.865 92.4812 178.095 92.481 174.865 166.103 178.094 166.103 -291.32 GPRESSURE: 3072200 279.587 37.3563 186.624 123.457 263.291 210.174 91.6408 193.705 -225.149 PRESSAVG: 3072200 6.4546 16.1232 -43.658 16.1232 34.3127 53.2114 -43.658 53.2113 -39.5846 GPRESSAVG: 3072200 5.25531 14.7547 -43.0523 18.0033 35.4308 51.7322 -42.5004 51.8234 -39.6577 TIMING: 3072200 CPU: 9154.73, 0.00293144/step Wall: 9154.73, 0.00293144/step, 1.56979 hours remaining, 207.480469 MB of memory in use. ENERGY: 3072200 722.5126 2131.3422 1908.6395 107.4303 -206240.7309 17876.6473 0.0000 0.0000 34282.0054 -149212.1535 299.3933 -183494.1589 -149114.3719 299.2992 74.4700 105.9096 557440.0772 0.3942 0.3428 LDB: ============= START OF LOAD BALANCING ============== 9158.28 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9158.28 LDB: =============== DONE WITH MIGRATION ================ 9158.28 LDB: ============= START OF LOAD BALANCING ============== 9158.58 LDB: Largest compute 4773 load 0.024914 is 21.1% of average load 0.118241 LDB: Average compute 0.001735 is 1.5% of average load 0.118241 LDB: TIME 9158.58 LOAD: AVG 0.118241 MAX 0.197195 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.703 MB LDB: TIME 9158.58 LOAD: AVG 0.118241 MAX 0.197195 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.703 MB LDB: TIME 9158.58 LOAD: AVG 0.118241 MAX 0.197195 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.703 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9158.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9158.59 PRESSURE: 3072400 -146.108 -139.567 58.6878 -139.566 42.0641 69.8263 58.6875 69.8246 -103.421 GPRESSURE: 3072400 -107.244 -161.962 40.3507 -123.93 48.6369 -8.65759 82.4742 57.6991 -40.1266 PRESSAVG: 3072400 -21.4431 -23.6335 66.5989 -23.6337 39.9922 29.1243 66.5988 29.1244 6.10714 GPRESSAVG: 3072400 -19.5737 -21.9971 66.9139 -24.3479 38.8866 28.9227 68.0467 30.2047 5.27556 TIMING: 3072400 CPU: 9155.34, 0.00303614/step Wall: 9155.34, 0.00303614/step, 1.62568 hours remaining, 206.496094 MB of memory in use. ENERGY: 3072400 747.4682 2147.1010 1965.5944 109.0149 -205932.7842 17860.1037 0.0000 0.0000 34184.6307 -148918.8714 298.5429 -183103.5020 -148827.0590 299.9061 -69.1549 -32.9111 559950.8075 8.2187 8.1962 PRESSURE: 3072600 -148.254 48.6611 149.688 48.6613 -147.19 82.4319 149.689 82.4305 126.071 GPRESSURE: 3072600 -121.328 2.56969 158.249 116.61 -78.2556 141.997 149.637 88.7243 116.939 PRESSAVG: 3072600 -33.9857 -3.29984 52.5193 -3.29977 6.32895 -8.15987 52.5193 -8.15978 17.9372 GPRESSAVG: 3072600 -34.6259 -4.45981 54.3448 -2.96326 6.75326 -6.0166 51.9189 -7.77978 18.6907 TIMING: 3072600 CPU: 9155.93, 0.002953/step Wall: 9155.93, 0.002953/step, 1.581 hours remaining, 206.496094 MB of memory in use. ENERGY: 3072600 782.9821 2097.6068 1921.2078 113.2470 -206156.3017 17895.7082 0.0000 0.0000 34293.9766 -149051.5732 299.4978 -183345.5497 -148962.8651 299.4852 -56.4578 -27.5481 558668.3844 -3.2399 -3.0607 PRESSURE: 3072800 -29.5119 94.8346 167.651 94.8356 -392.154 -31.1257 167.651 -31.1239 -59.2927 GPRESSURE: 3072800 -16.9933 155.069 161.414 71.1554 -335.773 -73.0104 203.542 33.9151 -14.5566 PRESSAVG: 3072800 -34.2411 12.3833 25.3218 12.3833 5.10607 40.5957 25.3218 40.5957 -0.15534 GPRESSAVG: 3072800 -33.47 13.5494 22.5968 12.2136 5.04786 40.2349 24.8091 40.2528 -0.793544 TIMING: 3072800 CPU: 9156.52, 0.00294166/step Wall: 9156.52, 0.00294166/step, 1.57477 hours remaining, 206.496094 MB of memory in use. ENERGY: 3072800 749.5739 2088.1411 1949.7279 123.5053 -205993.6392 17716.3022 0.0000 0.0000 34241.9391 -149124.4496 299.0434 -183366.3887 -149028.3709 299.6219 -160.3194 -122.4409 558258.0339 -9.7635 -9.7386 PRESSURE: 3073000 -33.5632 -131.247 13.2205 -131.246 -292.377 7.76978 13.2204 7.76977 -153.36 GPRESSURE: 3073000 -46.6701 -116.272 53.2548 -130.451 -254.775 36.4435 15.497 -44.6064 -68.182 PRESSAVG: 3073000 -12.7501 -16.5424 -12.0596 -16.5424 37.1732 31.8808 -12.0596 31.8808 -11.0436 GPRESSAVG: 3073000 -14.8005 -18.0352 -11.4366 -17.5356 38.9859 29.5471 -11.404 31.3973 -11.1845 TIMING: 3073000 CPU: 9157.11, 0.00294187/step Wall: 9157.11, 0.00294187/step, 1.57472 hours remaining, 206.496094 MB of memory in use. ENERGY: 3073000 789.0994 2114.8836 1920.7700 129.8204 -205905.8485 17695.1737 0.0000 0.0000 34132.0101 -149124.0913 298.0833 -183256.1014 -149023.1215 299.3864 -159.7666 -123.2090 559368.5153 4.4598 4.3336 PRESSURE: 3073200 154.644 -121.704 -131.598 -121.704 1.63775 -107.373 -131.6 -107.372 -348.328 GPRESSURE: 3073200 176.283 -143.84 -65.0209 -69.1065 50.934 -70.862 -160.222 -189.05 -328.3 PRESSAVG: 3073200 -27.5937 -36.4611 -26.5962 -36.4611 54.777 17.447 -26.5962 17.447 -46.3831 GPRESSAVG: 3073200 -26.9988 -36.8476 -25.8281 -34.8174 53.7657 17.6973 -27.1676 18.5576 -46.2657 TIMING: 3073200 CPU: 9157.7, 0.00295968/step Wall: 9157.7, 0.00295968/step, 1.58409 hours remaining, 206.496094 MB of memory in use. ENERGY: 3073200 757.1818 2055.9363 1929.9610 102.3246 -206195.7107 17878.0607 0.0000 0.0000 34245.5651 -149226.6813 299.0750 -183472.2463 -149124.1052 299.5778 -64.0154 -33.6941 559033.5165 -6.3999 -6.4996 PRESSURE: 3073400 106.235 -19.0298 -104.236 -19.0308 -154.552 -141.972 -104.235 -141.972 86.8022 GPRESSURE: 3073400 167.112 -17.2999 -61.9519 44.5035 -143.954 -152.072 -32.8645 -189.672 116.613 PRESSAVG: 3073400 2.93566 -28.2045 -9.92869 -28.2045 59.5392 -22.6306 -9.92875 -22.6305 -92.624 GPRESSAVG: 3073400 4.12296 -27.3361 -10.7048 -29.6784 59.1375 -21.3851 -8.80202 -22.9166 -93.3592 TIMING: 3073400 CPU: 9158.29, 0.00296636/step Wall: 9158.29, 0.00296636/step, 1.5875 hours remaining, 206.496094 MB of memory in use. ENERGY: 3073400 773.9324 2079.0022 1932.7654 119.4178 -206359.0552 17904.7810 0.0000 0.0000 34371.7209 -149177.4356 300.1768 -183549.1564 -149081.2448 299.6288 12.8284 46.5900 556936.3189 -10.0497 -10.0329 PRESSURE: 3073600 216.88 -14.1143 91.1118 -14.1135 312.387 -73.6842 91.1115 -73.6831 213.233 GPRESSURE: 3073600 209.464 -24.134 -30.6171 3.49052 358.248 -22.8791 89.4366 3.12019 253.039 PRESSAVG: 3073600 12.2107 -15.7043 -24.2293 -15.7042 32.8818 -18.686 -24.2293 -18.6859 -35.41 GPRESSAVG: 3073600 11.0443 -18.3892 -24.0626 -13.2821 33.1541 -16.8041 -24.8138 -20.7895 -34.7041 TIMING: 3073600 CPU: 9158.88, 0.0029583/step Wall: 9158.88, 0.0029583/step, 1.58302 hours remaining, 206.496094 MB of memory in use. ENERGY: 3073600 740.9699 2129.8248 1908.2319 124.5390 -206466.2552 18153.2530 0.0000 0.0000 34362.5167 -149046.9199 300.0964 -183409.4366 -148951.9164 300.1205 247.4998 273.5836 555916.0504 3.2275 3.1648 PRESSURE: 3073800 -193.504 -24.4401 141.01 -24.4397 276.217 -15.7278 141.01 -15.7263 -117.336 GPRESSURE: 3073800 -143.545 -20.185 149.892 -21.8121 305.602 -19.5163 69.4746 -65.2826 -105.212 PRESSAVG: 3073800 -74.8228 6.34621 -22.8721 6.34615 36.7863 -5.64907 -22.8721 -5.64897 25.6139 GPRESSAVG: 3073800 -75.0291 9.37592 -21.1059 0.0789557 37.0027 -9.72139 -23.4879 -3.2272 25.7633 TIMING: 3073800 CPU: 9159.48, 0.00296497/step Wall: 9159.48, 0.00296497/step, 1.58643 hours remaining, 206.496094 MB of memory in use. ENERGY: 3073800 858.0410 2099.4393 1924.8800 107.6480 -206007.4646 17664.6659 0.0000 0.0000 34366.1415 -148986.6489 300.1281 -183352.7904 -148891.3580 299.3524 -11.5410 18.9483 556371.2505 -4.1409 -4.0877 PRESSURE: 3074000 -49.2808 -81.1098 -196.088 -81.1088 15.9527 20.359 -196.087 20.3597 73.2833 GPRESSURE: 3074000 -16.7847 -47.1514 -115.263 -35.3795 52.1003 68.0632 -233.2 -0.5912 92.1022 PRESSAVG: 3074000 -10.4182 -5.76888 -35.3999 -5.76885 15.5899 -14.5942 -35.4 -14.5943 27.8081 GPRESSAVG: 3074000 -10.6289 -5.65224 -36.5597 -3.66456 15.9767 -12.1818 -35.9981 -14.7033 27.5662 TIMING: 3074000 CPU: 9160.07, 0.00296525/step Wall: 9160.07, 0.00296525/step, 1.58641 hours remaining, 206.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3074000 787.5311 2111.8125 1913.9276 112.5039 -206271.3515 17911.4972 0.0000 0.0000 34449.0733 -148985.0060 300.8523 -183434.0792 -148890.1031 299.9308 13.3184 42.4726 556945.6121 10.9933 10.9713 PRESSURE: 3074200 340.039 -145.156 -34.2615 -145.155 276.075 215.319 -34.2619 215.32 105.498 GPRESSURE: 3074200 331.19 -132.543 32.2206 -165.186 258.797 224.206 -79.85 214.414 212.781 PRESSAVG: 3074200 10.941 -24.9873 -13.3552 -24.9873 -3.59385 23.0152 -13.3552 23.0153 -9.34234 GPRESSAVG: 3074200 11.7381 -25.269 -14.6793 -24.5971 -4.64022 23.9768 -12.466 20.7159 -9.57037 TIMING: 3074200 CPU: 9160.66, 0.00295836/step Wall: 9160.66, 0.00295836/step, 1.58256 hours remaining, 206.496094 MB of memory in use. ENERGY: 3074200 710.3293 2220.9723 1927.0292 111.0623 -206419.7711 18025.5614 0.0000 0.0000 34352.4956 -149072.3210 300.0089 -183424.8166 -148981.6883 299.9623 240.5376 267.5894 555895.1120 -0.6651 -0.8242 PRESSURE: 3074400 -154.39 -113.488 -22.0492 -113.488 -21.0389 24.5216 -22.0503 24.5213 -324.999 GPRESSURE: 3074400 -84.1883 -142.679 -38.3342 -112.971 -0.86081 48.5209 11.2409 60.194 -322.751 PRESSAVG: 3074400 -28.7748 14.0083 -42.7546 14.0083 92.5743 90.6811 -42.7546 90.6808 -45.7891 GPRESSAVG: 3074400 -29.8463 12.262 -40.9107 15.9667 92.6765 90.6156 -44.6677 92.612 -44.788 TIMING: 3074400 CPU: 9161.25, 0.00296509/step Wall: 9161.25, 0.00296509/step, 1.58599 hours remaining, 206.496094 MB of memory in use. ENERGY: 3074400 749.2465 2169.0746 1938.8219 110.9507 -205741.9584 17397.9803 0.0000 0.0000 34359.2556 -149016.6287 300.0679 -183375.8843 -148916.9101 300.0902 -166.8094 -135.9333 556821.0707 6.0035 6.0140 PRESSURE: 3074600 -153.291 65.4608 -82.1669 65.46 -104.445 112.876 -82.1672 112.875 -98.651 GPRESSURE: 3074600 -97.9427 19.1932 -57.2576 11.5192 -95.7909 86.275 -53.8722 187.507 -80.1722 PRESSAVG: 3074600 -3.25684 -2.94385 -7.2576 -2.94382 68.5222 14.6631 -7.2576 14.6632 -44.1393 GPRESSAVG: 3074600 -2.8206 -2.68801 -7.69267 -2.60786 68.7912 15.4086 -3.55287 12.128 -45.4282 TIMING: 3074600 CPU: 9161.85, 0.00296335/step Wall: 9161.85, 0.00296335/step, 1.5849 hours remaining, 206.496094 MB of memory in use. ENERGY: 3074600 754.5600 2101.8466 1948.2068 114.5353 -205846.0547 17473.3422 0.0000 0.0000 34266.1188 -149187.4450 299.2545 -183453.5638 -149088.1672 299.3133 -118.7956 -91.3019 557100.2209 7.0420 6.8475 PRESSURE: 3074800 86.858 -6.24286 75.0758 -6.24364 14.0947 -44.6395 75.0755 -44.6401 70.3474 GPRESSURE: 3074800 115.541 -26.4233 113.598 -17.0095 21.6695 -119.527 -22.6296 -7.43795 127.902 PRESSAVG: 3074800 -5.20419 -15.9331 28.7368 -15.933 -52.5103 -88.2946 28.7369 -88.2945 67.2756 GPRESSAVG: 3074800 -6.48967 -13.9043 27.0298 -18.7366 -52.5209 -89.0467 25.4826 -86.7195 68.1397 TIMING: 3074800 CPU: 9162.44, 0.0029701/step Wall: 9162.44, 0.0029701/step, 1.58834 hours remaining, 206.496094 MB of memory in use. ENERGY: 3074800 742.0711 2103.3075 1958.1761 119.6615 -206303.6153 17837.7369 0.0000 0.0000 34275.2612 -149267.4011 299.3344 -183542.6622 -149174.9699 298.8612 57.1000 88.3708 556130.2045 3.1871 3.0431 PRESSURE: 3075000 -274.13 -134.822 26.4858 -134.823 -102.769 -75.9903 26.4864 -75.99 -387.537 GPRESSURE: 3075000 -185.399 -145.958 83.1775 -109.544 -71.5016 -28.8749 7.40831 -83.1356 -410.212 PRESSAVG: 3075000 -0.453572 -12.9918 13.4795 -12.9918 18.0435 -48.8085 13.4795 -48.8086 13.4704 GPRESSAVG: 3075000 1.62477 -15.3042 12.9917 -10.6461 16.8149 -48.4412 14.6078 -50.4545 12.4974 TIMING: 3075000 CPU: 9163.03, 0.00295593/step Wall: 9163.03, 0.00295593/step, 1.5806 hours remaining, 206.496094 MB of memory in use. ENERGY: 3075000 779.3787 2124.6874 1937.8754 114.5359 -205966.9733 17505.3743 0.0000 0.0000 34256.4689 -149248.6527 299.1703 -183505.1216 -149151.9431 299.1762 -254.8118 -222.3710 557416.2988 10.3535 10.3124 PRESSURE: 3075200 -46.461 165.81 -156.187 165.81 75.2196 111.825 -156.187 111.823 -26.2443 GPRESSURE: 3075200 13.4635 156.688 -136.667 181.581 71.7817 111.688 -162.01 74.0883 33.4156 PRESSAVG: 3075200 -13.8713 46.425 -35.0234 46.425 28.0978 18.1665 -35.0235 18.1665 -68.3214 GPRESSAVG: 3075200 -15.1543 48.731 -33.323 46.0201 28.702 17.8486 -33.7876 18.1921 -68.1459 TIMING: 3075200 CPU: 9163.62, 0.00295504/step Wall: 9163.62, 0.00295504/step, 1.57996 hours remaining, 206.496094 MB of memory in use. ENERGY: 3075200 709.0976 2187.4905 1942.2126 113.5242 -206363.7767 17816.0837 0.0000 0.0000 34274.0196 -149321.3485 299.3235 -183595.3681 -149226.4460 298.8923 0.8381 39.5536 558475.8997 -18.0316 -18.1994 PRESSURE: 3075400 115.623 44.2477 -99.4098 44.2487 165.569 -16.7587 -99.4097 -16.7599 31.0395 GPRESSURE: 3075400 110.492 55.3 -59.0071 52.8316 210.636 19.0553 -132.493 -56.7694 95.4781 PRESSAVG: 3075400 0.358546 22.0283 -58.7917 22.0284 36.5488 2.9093 -58.7917 2.90923 -31.4854 GPRESSAVG: 3075400 0.2244 21.5556 -59.0016 21.1303 35.9373 2.79764 -59.9079 4.64475 -30.4577 TIMING: 3075400 CPU: 9164.22, 0.00296592/step Wall: 9164.22, 0.00296592/step, 1.58561 hours remaining, 206.496094 MB of memory in use. ENERGY: 3075400 735.1884 2152.9901 1943.5573 114.6191 -206453.8856 18087.8292 0.0000 0.0000 34028.7150 -149390.9866 297.1812 -183419.7016 -149301.4712 298.9601 104.0774 138.8689 559069.1225 1.8073 1.9013 PRESSURE: 3075600 -127.992 96.7227 -8.34973 96.7235 -178.386 59.3192 -8.3503 59.3202 -6.81054 GPRESSURE: 3075600 -140.509 80.8344 -5.8892 190.652 -119.474 100.767 -27.577 8.32369 44.6169 PRESSAVG: 3075600 16.533 40.6857 -24.7848 40.6857 -21.6282 10.078 -24.7848 10.078 27.6263 GPRESSAVG: 3075600 17.6556 40.5204 -24.589 40.0895 -20.6132 10.5581 -26.81 9.39484 25.9479 TIMING: 3075600 CPU: 9164.81, 0.00298202/step Wall: 9164.81, 0.00298202/step, 1.59406 hours remaining, 206.496094 MB of memory in use. ENERGY: 3075600 718.8959 2134.9517 1946.9778 122.7102 -206258.0726 17729.2486 0.0000 0.0000 34392.9933 -149212.2951 300.3626 -183605.2884 -149112.5494 298.2647 -104.3962 -71.7887 558072.8079 7.5104 7.6634 PRESSURE: 3075800 93.8878 109.41 37.5562 109.409 81.1058 -18.5964 37.5566 -18.5971 -147.045 GPRESSURE: 3075800 150.79 57.1666 92.7613 55.6005 81.5623 -7.29377 -16.1552 -20.147 -106.408 PRESSAVG: 3075800 18.0209 40.3294 20.3103 40.3295 -77.755 -39.2117 20.3103 -39.2117 73.6435 GPRESSAVG: 3075800 16.8312 41.0972 20.0922 40.5389 -77.0814 -39.5318 20.8772 -39.7939 73.754 TIMING: 3075800 CPU: 9165.4, 0.00293979/step Wall: 9165.4, 0.00293979/step, 1.57132 hours remaining, 206.496094 MB of memory in use. ENERGY: 3075800 765.6535 2113.7221 1948.1784 102.5536 -206264.7839 17900.9275 0.0000 0.0000 34168.0986 -149265.6501 298.3985 -183433.7487 -149166.5922 299.4331 9.3162 41.9814 557800.8346 4.6365 4.5013 PRESSURE: 3076000 -96.6972 177.55 82.399 177.55 189.002 -19.9928 82.399 -19.9912 111.61 GPRESSURE: 3076000 -22.9037 302.557 97.0337 208.864 151.946 69.4571 47.4728 -42.4068 176.854 PRESSAVG: 3076000 16.9019 0.0665837 -46.8629 0.0665974 -34.708 -48.8288 -46.8629 -48.8289 54.4335 GPRESSAVG: 3076000 17.3166 1.1791 -48.0041 0.732379 -36.4474 -49.3316 -46.1399 -47.8738 56.0288 TIMING: 3076000 CPU: 9165.99, 0.00296973/step Wall: 9165.99, 0.00296973/step, 1.58716 hours remaining, 206.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3076000 731.4001 2100.6758 1950.2840 115.6158 -206081.6555 17731.4471 0.0000 0.0000 34262.6728 -149189.5599 299.2244 -183452.2327 -149091.7726 299.2303 67.9715 101.9653 557374.8590 12.2091 12.2994 PRESSURE: 3076200 -98.0393 -104.367 31.2491 -104.367 67.9635 21.2961 31.25 21.2965 -98.4576 GPRESSURE: 3076200 -79.3268 -31.7151 -17.5191 -68.8083 131.683 -9.44384 38.8866 24.6429 -89.2179 PRESSAVG: 3076200 31.9948 3.58878 -49.798 3.58878 4.6633 -15.4727 -49.7979 -15.4728 -40.6965 GPRESSAVG: 3076200 30.9694 0.514319 -49.3116 3.67254 5.50007 -14.5617 -48.8331 -15.0872 -41.0169 TIMING: 3076200 CPU: 9166.59, 0.00296933/step Wall: 9166.59, 0.00296933/step, 1.58678 hours remaining, 206.496094 MB of memory in use. ENERGY: 3076200 756.3159 2143.3541 1959.4694 111.8473 -205871.0689 17720.8804 0.0000 0.0000 34405.8060 -148773.3957 300.4745 -183179.2017 -148676.4694 300.2758 -42.8445 -12.2873 557016.2072 -1.3462 -1.5158 LDB: ============= START OF LOAD BALANCING ============== 9170.14 LDB: ============== END OF LOAD BALANCING =============== 9170.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9170.14 LDB: ============= START OF LOAD BALANCING ============== 9170.43 LDB: Largest compute 4773 load 0.024882 is 21.1% of average load 0.118193 LDB: Average compute 0.001742 is 1.5% of average load 0.118193 LDB: TIME 9170.43 LOAD: AVG 0.118193 MAX 0.196064 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.43 MB LDB: TIME 9170.43 LOAD: AVG 0.118193 MAX 0.196064 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.43 MB LDB: TIME 9170.43 LOAD: AVG 0.118193 MAX 0.196064 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9170.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9170.44 PRESSURE: 3076400 102.891 -53.2012 193.29 -53.2012 -35.7201 -19.2289 193.29 -19.229 198.845 GPRESSURE: 3076400 90.9253 -39.1047 177.94 -37.6702 8.46975 38.8326 215.805 -105.933 283.637 PRESSAVG: 3076400 31.6661 32.9557 4.75325 32.9557 -17.9683 11.2608 4.75326 11.2609 6.933 GPRESSAVG: 3076400 32.7635 34.0314 4.38155 33.0073 -17.942 10.6607 3.86385 10.9318 6.0395 TIMING: 3076400 CPU: 9167.19, 0.00301327/step Wall: 9167.19, 0.00301327/step, 1.61009 hours remaining, 206.687500 MB of memory in use. ENERGY: 3076400 778.7372 2111.8439 1961.1358 113.3940 -206272.5377 18002.2037 0.0000 0.0000 34496.5435 -148808.6796 301.2669 -183305.2231 -148709.2974 301.2585 88.6718 127.6772 557090.1737 6.8769 6.9537 PRESSURE: 3076600 -219.18 156.551 -77.3293 156.552 61.162 -64.0708 -77.3296 -64.0697 96.1653 GPRESSURE: 3076600 -181.658 84.951 58.0272 87.6239 120.396 -145.447 -77.9866 -14.7157 98.5564 PRESSAVG: 3076600 -22.3231 5.51622 -5.21538 5.51616 -26.1775 -49.8465 -5.21538 -49.8465 11.0955 GPRESSAVG: 3076600 -22.2155 4.95144 -4.74002 6.9133 -26.5397 -49.5322 -7.16069 -49.1406 11.7098 TIMING: 3076600 CPU: 9167.78, 0.00294172/step Wall: 9167.78, 0.00294172/step, 1.5717 hours remaining, 206.687500 MB of memory in use. ENERGY: 3076600 763.0974 2123.1003 1962.5819 108.1035 -206188.1812 17793.0992 0.0000 0.0000 34536.9926 -148901.2062 301.6201 -183438.1988 -148806.7487 300.0758 -20.6177 12.4314 557806.0867 -12.4684 -12.3485 PRESSURE: 3076800 -8.34562 -66.1078 140.661 -66.1072 154.885 -66.3346 140.659 -66.3344 135.359 GPRESSURE: 3076800 50.1788 -32.3698 18.5969 -97.4514 146.463 -36.7977 172.186 -13.6963 191.885 PRESSAVG: 3076800 10.6035 -4.40039 5.33289 -4.40039 42.4233 -31.4029 5.33297 -31.4029 -6.88877 GPRESSAVG: 3076800 9.01474 -3.22234 5.71433 -6.59737 43.5455 -29.334 6.4957 -31.4637 -6.0361 TIMING: 3076800 CPU: 9168.37, 0.00295688/step Wall: 9168.37, 0.00295688/step, 1.57963 hours remaining, 206.687500 MB of memory in use. ENERGY: 3076800 760.8044 2152.8740 1955.8991 106.9101 -206147.5178 17882.4457 0.0000 0.0000 34372.8703 -148915.7142 300.1868 -183288.5845 -148827.8064 300.9413 93.9659 129.5092 557112.2356 15.3794 15.5081 PRESSURE: 3077000 -60.8917 -34.7734 67.1173 -34.7735 -151.084 33.7204 67.117 33.7211 -63.1052 GPRESSURE: 3077000 -44.1002 -89.1379 19.3343 -27.235 -106.058 112.176 113.174 7.4716 -32.6973 PRESSAVG: 3077000 55.2147 -12.8558 28.6361 -12.8559 5.80547 -3.18905 28.6362 -3.18908 -47.1609 GPRESSAVG: 3077000 56.6854 -11.72 27.1717 -14.1095 5.47455 -5.34707 29.5311 -4.357 -48.6015 TIMING: 3077000 CPU: 9168.96, 0.00295517/step Wall: 9168.96, 0.00295517/step, 1.57855 hours remaining, 206.687500 MB of memory in use. ENERGY: 3077000 745.0301 2040.6805 1972.3453 115.0237 -205914.4051 17635.4756 0.0000 0.0000 34446.6706 -148959.1793 300.8313 -183405.8499 -148858.0281 300.4165 -91.6935 -60.9519 558100.3942 4.6198 4.5195 PRESSURE: 3077200 0.580569 -31.7684 -73.66 -31.7685 -114.237 -86.2957 -73.6593 -86.297 -248.608 GPRESSURE: 3077200 25.7561 -48.6931 -33.0587 -73.4202 -67.8228 -88.8001 -121.153 -139.384 -226.67 PRESSAVG: 3077200 -45.2443 -41.4295 -21.4157 -41.4296 25.6623 -6.87711 -21.4157 -6.87715 20.2275 GPRESSAVG: 3077200 -45.5777 -43.3619 -19.3524 -40.9669 25.8303 -4.72388 -23.9969 -6.9747 20.4106 TIMING: 3077200 CPU: 9169.55, 0.00295921/step Wall: 9169.55, 0.00295921/step, 1.58054 hours remaining, 206.687500 MB of memory in use. ENERGY: 3077200 733.8258 2115.3623 1983.3052 127.3347 -205664.0020 17556.2440 0.0000 0.0000 34217.9378 -148929.9921 298.8338 -183147.9299 -148834.2181 299.8390 -120.7548 -89.5789 557948.3251 0.2152 0.2210 PRESSURE: 3077400 -98.1808 104.734 -114.219 104.731 -454.681 72.3285 -114.219 72.3273 -297.645 GPRESSURE: 3077400 -44.1428 123.299 -147.354 60.6178 -442.411 124.603 -24.9147 -2.34157 -248.356 PRESSAVG: 3077400 49.916 -2.26529 42.9519 -2.26539 -43.7413 -42.8658 42.9519 -42.8659 23.9819 GPRESSAVG: 3077400 48.9621 -1.72493 40.7722 -0.811366 -43.5613 -44.8572 44.8686 -43.0758 24.5929 TIMING: 3077400 CPU: 9170.15, 0.00295953/step Wall: 9170.15, 0.00295953/step, 1.58055 hours remaining, 206.687500 MB of memory in use. ENERGY: 3077400 755.8774 2088.5909 1940.5806 113.1557 -205725.1582 17493.4286 0.0000 0.0000 34441.8192 -148891.7059 300.7890 -183333.5251 -148792.0585 300.0142 -283.5021 -244.9700 558759.7311 10.0522 9.9979 PRESSURE: 3077600 19.8592 -36.756 34.1427 -36.7578 21.7187 -43.1649 34.143 -43.1654 14.272 GPRESSURE: 3077600 95.2669 -5.0854 75.3254 -47.3457 -27.2676 -130.49 17.3238 -35.9857 91.7261 PRESSAVG: 3077600 11.319 -14.5044 -1.15983 -14.5044 11.8807 35.162 -1.15993 35.162 20.1484 GPRESSAVG: 3077600 12.6027 -15.9977 -0.544534 -15.504 11.7548 34.8904 -0.903761 36.3225 19.053 TIMING: 3077600 CPU: 9170.74, 0.00295175/step Wall: 9170.74, 0.00295175/step, 1.57624 hours remaining, 206.687500 MB of memory in use. ENERGY: 3077600 744.8850 2071.4324 1949.0627 122.5715 -205639.5353 17753.6966 0.0000 0.0000 34135.7089 -148862.1782 298.1156 -182997.8871 -148767.6274 300.1771 18.6167 53.2418 559703.3357 14.4494 14.4701 PRESSURE: 3077800 -145.668 93.5951 -175.358 93.5942 -161.607 1.15554 -175.358 1.15631 -180.377 GPRESSURE: 3077800 -92.2431 122.608 -191.209 35.7592 -144.589 27.997 -198.556 29.7595 -151.463 PRESSAVG: 3077800 10.2132 36.3059 -19.1867 36.3059 4.34233 69.0969 -19.1867 69.0969 3.15364 GPRESSAVG: 3077800 8.83258 36.2271 -16.9638 36.428 4.19402 70.9421 -20.304 67.9294 4.48983 TIMING: 3077800 CPU: 9171.32, 0.002933/step Wall: 9171.32, 0.002933/step, 1.56606 hours remaining, 206.687500 MB of memory in use. ENERGY: 3077800 769.8256 2085.7063 1964.4617 124.2107 -205556.9129 17622.0729 0.0000 0.0000 34133.6422 -148856.9935 298.0976 -182990.6357 -148763.8496 299.8977 -162.5505 -129.4317 560083.2182 5.9031 5.8388 PRESSURE: 3078000 -17.2156 88.8656 -2.81394 88.8672 81.4188 46.2315 -2.81524 46.2312 -74.1439 GPRESSURE: 3078000 22.414 144.941 4.78207 24.5048 56.4248 39.3815 74.783 -59.7601 5.23654 PRESSAVG: 3078000 -43.3255 29.9143 12.5128 29.9144 -39.5014 24.3846 12.5128 24.3846 29.0665 GPRESSAVG: 3078000 -43.2036 31.1066 10.6574 30.8618 -39.4049 23.6872 15.0242 24.5449 28.9828 TIMING: 3078000 CPU: 9171.91, 0.00292652/step Wall: 9171.91, 0.00292652/step, 1.56244 hours remaining, 206.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3078000 733.9322 2075.1847 1924.7352 106.4804 -206134.4553 18013.5340 0.0000 0.0000 34363.9904 -148916.5984 300.1093 -183280.5889 -148812.5889 300.3292 -3.3135 28.0251 558818.9839 -17.9202 -17.8752 PRESSURE: 3078200 -27.2258 94.0695 -38.4705 94.0702 -237.043 30.944 -38.4724 30.946 -62.8972 GPRESSURE: 3078200 14.6251 15.4753 -34.2093 121.297 -196.176 28.5035 -43.6835 33.7085 -52.2641 PRESSAVG: 3078200 40.7613 -22.1451 -4.39736 -22.1452 -3.81293 -3.52493 -4.39738 -3.52484 -23.5724 GPRESSAVG: 3078200 42.2889 -23.9984 -4.67637 -22.4381 -4.72118 -5.89985 -5.33879 -1.07474 -24.439 TIMING: 3078200 CPU: 9172.5, 0.00295113/step Wall: 9172.5, 0.00295113/step, 1.57541 hours remaining, 206.687500 MB of memory in use. ENERGY: 3078200 779.0505 2065.6765 1914.2140 116.6638 -206034.7782 17744.2383 0.0000 0.0000 34176.1489 -149238.7862 298.4688 -183414.9351 -149144.0691 299.4918 -109.0552 -77.9385 558963.2840 4.4587 4.3763 PRESSURE: 3078400 220.588 9.89726 47.6635 9.89629 -60.1098 -104.455 47.6635 -104.456 -19.0061 GPRESSURE: 3078400 226.362 14.0659 77.97 -31.8738 -49.3457 -81.4852 3.99605 -149.293 64.0245 PRESSAVG: 3078400 53.3626 -7.24999 10.3003 -7.25001 -59.0229 -1.251 10.3002 -1.25108 33.1156 GPRESSAVG: 3078400 53.0437 -6.09392 9.30557 -6.06764 -58.2846 1.57142 11.0447 -1.98051 32.64 TIMING: 3078400 CPU: 9173.08, 0.00293316/step Wall: 9173.08, 0.00293316/step, 1.56566 hours remaining, 206.687500 MB of memory in use. ENERGY: 3078400 737.8577 2083.1674 1943.0253 115.7091 -206243.8152 17746.2551 0.0000 0.0000 34253.1690 -149364.6316 299.1414 -183617.8006 -149269.9850 299.4871 47.1575 80.3468 558079.3998 9.1517 9.1330 PRESSURE: 3078600 52.4773 26.5152 -31.5253 26.5168 -127.799 -16.4513 -31.5256 -16.4523 29.0712 GPRESSURE: 3078600 94.7324 5.51057 -37.7057 -64.0185 -113.449 12.4074 -69.9717 -63.5713 75.2124 PRESSAVG: 3078600 40.8265 -19.523 1.40119 -19.523 -84.4132 -0.828424 1.40109 -0.828534 32.7179 GPRESSAVG: 3078600 40.0887 -18.1425 2.47855 -19.2033 -84.0934 -1.6035 1.50074 -2.76343 33.2179 TIMING: 3078600 CPU: 9173.68, 0.00297284/step Wall: 9173.68, 0.00297284/step, 1.58667 hours remaining, 206.687500 MB of memory in use. ENERGY: 3078600 717.4604 2068.5366 1921.3064 112.1149 -206419.3203 17861.4054 0.0000 0.0000 34267.4074 -149471.0893 299.2658 -183738.4967 -149375.3648 298.8090 -15.4169 18.8321 557575.9655 -3.6229 -3.5956 PRESSURE: 3078800 -179.932 20.9234 170.996 20.9234 -98.4294 155.794 170.995 155.794 -91.2793 GPRESSURE: 3078800 -120.778 55.9207 138.981 -43.6882 -81.5094 223.767 198.402 91.7407 -77.7366 PRESSAVG: 3078800 -16.3829 0.390825 32.7413 0.39087 -46.2023 30.9434 32.7412 30.9434 44.3176 GPRESSAVG: 3078800 -16.7797 1.66083 30.3951 -2.25163 -47.0276 32.4067 33.5089 32.3311 44.8939 TIMING: 3078800 CPU: 9174.27, 0.00295078/step Wall: 9174.27, 0.00295078/step, 1.57473 hours remaining, 206.687500 MB of memory in use. ENERGY: 3078800 734.2976 2045.8862 1935.3673 129.2695 -206277.1167 17739.9145 0.0000 0.0000 34101.1852 -149591.1966 297.8141 -183692.3818 -149496.2587 297.9255 -123.2135 -93.3412 558893.6669 -6.0892 -6.3045 PRESSURE: 3079000 -263.737 -129.733 117.745 -129.734 -98.3435 -81.8801 117.745 -81.8809 -158.694 GPRESSURE: 3079000 -267.396 -119.563 128.306 -151.512 -63.9062 -116.171 134.307 -3.15819 -78.3226 PRESSAVG: 3079000 -7.33118 -21.6959 19.8359 -21.6959 27.0236 31.9975 19.8358 31.9974 -11.7597 GPRESSAVG: 3079000 -7.32718 -24.3418 23.11 -20.4383 26.69 30.1417 18.1077 31.5559 -10.8156 TIMING: 3079000 CPU: 9174.86, 0.00296794/step Wall: 9174.86, 0.00296794/step, 1.58373 hours remaining, 206.687500 MB of memory in use. ENERGY: 3079000 789.1694 2082.8502 1935.3776 111.3744 -206573.2127 17656.7625 0.0000 0.0000 34278.3042 -149719.3745 299.3610 -183997.6787 -149621.1125 298.0831 -173.5916 -136.5417 556273.5729 2.6442 2.8491 PRESSURE: 3079200 -325.495 58.3261 -45.7872 58.3272 -99.5411 -83.0103 -45.7867 -83.0106 -111.704 GPRESSURE: 3079200 -295.048 144.427 -29.1417 -65.0674 -95.1749 -59.068 -43.7287 -42.0606 -44.8157 PRESSAVG: 3079200 -79.6761 25.855 36.6431 25.8549 78.107 16.7311 36.6431 16.7312 -5.81624 GPRESSAVG: 3079200 -79.1783 28.1799 35.677 25.1668 78.9143 18.0362 36.8418 16.3864 -7.75028 TIMING: 3079200 CPU: 9175.46, 0.00296518/step Wall: 9175.46, 0.00296518/step, 1.58209 hours remaining, 206.687500 MB of memory in use. ENERGY: 3079200 774.6019 2096.5315 1954.8179 115.7520 -206536.6995 17712.4502 0.0000 0.0000 34083.1128 -149799.4333 297.6563 -183882.5460 -149698.1633 297.5783 -178.9134 -145.0127 557101.8541 -2.4618 -2.6714 PRESSURE: 3079400 167.144 -1.35716 34.463 -1.35765 233.316 -106.181 34.4635 -106.181 -20.1845 GPRESSURE: 3079400 198.628 49.9279 117.954 54.1862 224.15 -102.027 1.32005 -115.27 59.9588 PRESSAVG: 3079400 12.6562 -29.661 15.3968 -29.6609 -13.5801 43.1657 15.3968 43.1658 18.5075 GPRESSAVG: 3079400 11.4987 -31.2211 15.4323 -29.6577 -13.2567 41.0708 15.8402 43.9343 18.8906 TIMING: 3079400 CPU: 9176.05, 0.00297761/step Wall: 9176.05, 0.00297761/step, 1.58855 hours remaining, 206.687500 MB of memory in use. ENERGY: 3079400 743.7635 2048.7610 1916.4909 109.3911 -206504.9850 17982.5528 0.0000 0.0000 33974.6070 -149729.4186 296.7087 -183704.0256 -149630.8979 297.8314 126.7584 160.9123 557373.0276 5.8612 5.7109 PRESSURE: 3079600 77.8083 -3.53463 39.3472 -3.53653 -156.887 164.83 39.3474 164.83 -95.66 GPRESSURE: 3079600 51.8905 3.10259 77.2516 -42.1238 -111.072 134.565 26.6281 97.0502 -30.4171 PRESSAVG: 3079600 -7.52875 -50.2224 49.7164 -50.2223 3.78414 9.06989 49.7165 9.06989 10.1857 GPRESSAVG: 3079600 -7.03762 -50.2645 50.6152 -50.0628 2.51971 10.388 48.4949 8.95692 10.9489 TIMING: 3079600 CPU: 9176.65, 0.00297518/step Wall: 9176.65, 0.00297518/step, 1.58709 hours remaining, 206.687500 MB of memory in use. ENERGY: 3079600 721.0357 2101.3592 1923.6167 110.5560 -206159.3635 17638.0054 0.0000 0.0000 34035.4240 -149629.3664 297.2398 -183664.7904 -149528.0274 297.1746 -58.2462 -29.8661 556720.7236 2.1470 2.1437 PRESSURE: 3079800 -84.8205 -25.737 18.3948 -25.7373 73.3261 59.118 18.3941 59.1176 -10.8022 GPRESSURE: 3079800 -44.6971 -49.865 100.233 -70.915 69.2778 -9.38674 37.9246 7.73772 45.515 PRESSAVG: 3079800 -10.1812 -60.8781 83.687 -60.8781 8.23927 -13.3765 83.6869 -13.3765 67.5736 GPRESSAVG: 3079800 -9.10357 -58.9151 83.291 -61.5945 7.28351 -13.0185 84.9546 -14.4185 67.2845 TIMING: 3079800 CPU: 9177.24, 0.00295345/step Wall: 9177.24, 0.00295345/step, 1.57534 hours remaining, 206.687500 MB of memory in use. ENERGY: 3079800 764.2756 2007.2879 1932.0905 106.1096 -206343.3527 17890.0350 0.0000 0.0000 34123.8190 -149519.7351 298.0118 -183643.5542 -149423.0017 298.3900 -7.4322 23.3652 555861.3586 21.8772 21.8215 PRESSURE: 3080000 -343.935 -1.72503 -54.575 -1.72518 58.6453 -41.9979 -54.5731 -41.9978 -60.4285 GPRESSURE: 3080000 -315.746 78.6463 -46.39 -44.7317 68.5328 -12.2087 -21.3729 -102.066 -11.5127 PRESSAVG: 3080000 7.69561 -34.3688 5.14502 -34.3688 -28.4961 -7.51544 5.14494 -7.51542 -27.4973 GPRESSAVG: 3080000 6.26493 -34.5555 6.16132 -34.2304 -28.3542 -7.06265 5.23533 -7.69157 -26.3095 TIMING: 3080000 CPU: 9177.83, 0.0029657/step Wall: 9177.83, 0.0029657/step, 1.58171 hours remaining, 206.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3080000 710.6277 2067.3101 1909.0969 115.1321 -206028.0801 17544.9325 0.0000 0.0000 34117.4489 -149563.5320 297.9562 -183680.9809 -149464.0199 297.9121 -115.2394 -86.2419 557961.2235 -16.0993 -16.1329 PRESSURE: 3080200 -99.385 -150.328 -31.2604 -150.328 -167.61 201.542 -31.262 201.543 180.494 GPRESSURE: 3080200 -41.938 -77.1865 -32.0435 -186.645 -98.5186 177.972 13.0222 236.978 142.33 PRESSAVG: 3080200 9.09455 -54.0844 -1.46284 -54.0844 13.691 -35.1367 -1.46282 -35.1367 -14.4092 GPRESSAVG: 3080200 10.5156 -54.7433 -2.49169 -53.2446 13.8731 -34.5752 -2.36222 -34.2682 -16.298 TIMING: 3080200 CPU: 9178.43, 0.00297698/step Wall: 9178.43, 0.00297698/step, 1.58756 hours remaining, 206.687500 MB of memory in use. ENERGY: 3080200 714.8908 2078.4287 1944.3048 106.5862 -206309.7267 17803.6924 0.0000 0.0000 34087.1584 -149574.6655 297.6916 -183661.8238 -149471.6469 297.6873 -28.8337 0.6246 557360.3846 2.7921 2.6969 LDB: ============= START OF LOAD BALANCING ============== 9181.97 LDB: ============== END OF LOAD BALANCING =============== 9181.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9181.97 LDB: ============= START OF LOAD BALANCING ============== 9182.27 LDB: Largest compute 4772 load 0.025865 is 21.9% of average load 0.118275 LDB: Average compute 0.001735 is 1.5% of average load 0.118275 LDB: TIME 9182.27 LOAD: AVG 0.118275 MAX 0.196779 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.496 MB LDB: TIME 9182.27 LOAD: AVG 0.118275 MAX 0.196779 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.5 MB LDB: TIME 9182.27 LOAD: AVG 0.118275 MAX 0.196779 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.5 MB LDB: ============== END OF LOAD BALANCING =============== 9182.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9182.28 PRESSURE: 3080400 -177.186 -44.7608 120.164 -44.7622 -48.8316 -117.303 120.163 -117.303 47.0079 GPRESSURE: 3080400 -121.66 -44.6045 114.173 -62.3626 -8.57267 -109.026 71.1562 -140.024 49.9479 PRESSAVG: 3080400 -49.74 50.2225 17.9507 50.2224 32.9349 -18.0498 17.9507 -18.0497 25.4904 GPRESSAVG: 3080400 -50.5591 47.1958 18.1376 51.5593 33.7434 -18.8222 19.2919 -17.1821 25.7017 TIMING: 3080400 CPU: 9179.03, 0.00301388/step Wall: 9179.03, 0.00301388/step, 1.60707 hours remaining, 209.062500 MB of memory in use. ENERGY: 3080400 782.7104 2058.0770 1943.5505 106.1941 -206753.3742 17895.2347 0.0000 0.0000 34249.7261 -149717.8814 299.1114 -183967.6075 -149622.8250 298.2509 -59.6700 -26.7617 556369.0315 2.8951 2.9620 PRESSURE: 3080600 -218.399 -78.6961 71.218 -78.6961 -119.155 -125.897 71.219 -125.897 -210.376 GPRESSURE: 3080600 -199.669 -19.278 40.2388 -179.364 -100.749 -92.6468 115.292 -109.529 -148.168 PRESSAVG: 3080600 -16.7811 15.004 11.0766 15.0039 8.21882 19.9755 11.0766 19.9755 20.8777 GPRESSAVG: 3080600 -15.9232 15.4252 11.3575 15.9228 7.62446 19.2038 7.38774 21.252 20.6134 TIMING: 3080600 CPU: 9179.62, 0.00295485/step Wall: 9179.62, 0.00295485/step, 1.57543 hours remaining, 209.265625 MB of memory in use. ENERGY: 3080600 758.0431 2093.5743 1931.4797 127.0262 -206133.5064 17619.4439 0.0000 0.0000 34085.8942 -149518.0448 297.6806 -183603.9391 -149423.9991 297.8695 -182.6433 -149.5285 557733.5041 4.1051 4.1049 PRESSURE: 3080800 81.9874 -150.504 -78.7369 -150.505 15.549 -30.4305 -78.7369 -30.4323 48.1119 GPRESSURE: 3080800 107.94 -241.041 -40.4089 -102.608 64.5368 -80.8222 -25.7166 49.6151 67.6429 PRESSAVG: 3080800 36.3471 -25.2627 -5.32406 -25.2627 -69.6145 -33.0831 -5.324 -33.0832 30.7771 GPRESSAVG: 3080800 35.261 -22.8695 -5.35591 -28.1563 -69.2252 -31.9731 -2.10065 -35.6279 31.1178 TIMING: 3080800 CPU: 9180.21, 0.00292997/step Wall: 9180.21, 0.00292997/step, 1.562 hours remaining, 209.265625 MB of memory in use. ENERGY: 3080800 709.9974 2103.1472 1935.0197 120.8747 -206590.3825 17935.3661 0.0000 0.0000 34292.2281 -149493.7494 299.4826 -183785.9775 -149398.9285 298.9402 48.5494 80.0400 556708.1813 -0.8301 -0.9488 PRESSURE: 3081000 290.73 -91.2052 -6.9854 -91.2053 49.8282 -40.1917 -6.98512 -40.1911 7.3759 GPRESSURE: 3081000 336.858 -85.6654 -13.1903 -140.609 120.454 -110.051 43.3111 -9.90898 -2.91379 PRESSAVG: 3081000 34.1612 -0.126768 -4.7601 -0.126765 -23.1553 -9.05066 -4.76016 -9.0507 -36.0301 GPRESSAVG: 3081000 34.515 -0.712388 -3.98642 -0.748446 -23.5191 -9.70969 -3.28322 -8.28593 -36.3377 TIMING: 3081000 CPU: 9180.79, 0.00293473/step Wall: 9180.79, 0.00293473/step, 1.56437 hours remaining, 209.265625 MB of memory in use. ENERGY: 3081000 757.1713 2039.2251 1948.1059 109.6977 -206850.7141 18233.5498 0.0000 0.0000 34232.7001 -149530.2642 298.9627 -183762.9643 -149431.7937 298.4756 115.9779 151.4662 558082.0449 -8.3414 -8.4472 PRESSURE: 3081200 14.9331 -11.6304 -35.4958 -11.6305 275.826 -34.2252 -35.4962 -34.2248 8.64292 GPRESSURE: 3081200 2.95364 81.5265 -30.5883 41.8282 339.998 36.207 17.2917 -9.04446 49.9869 PRESSAVG: 3081200 -22.3627 -35.9054 -16.4961 -35.9053 35.6521 -17.694 -16.4963 -17.6942 -4.90814 GPRESSAVG: 3081200 -22.9285 -37.061 -16.5914 -32.9548 36.0369 -16.725 -16.8982 -19.2297 -4.97478 TIMING: 3081200 CPU: 9181.39, 0.00296874/step Wall: 9181.39, 0.00296874/step, 1.58234 hours remaining, 209.265625 MB of memory in use. ENERGY: 3081200 728.5254 2052.9679 1977.2110 105.7166 -206556.1672 17975.6575 0.0000 0.0000 34218.6043 -149497.4846 298.8396 -183716.0890 -149405.1327 298.7308 99.8008 130.9796 556596.2000 2.7938 2.7112 PRESSURE: 3081400 -11.2311 -15.8226 64.0544 -15.8233 210.648 -27.341 64.0547 -27.3401 288.203 GPRESSURE: 3081400 41.0007 -51.1253 42.1224 48.5054 229.81 -58.6988 62.6821 -27.7436 324.852 PRESSAVG: 3081400 -5.73266 30.1531 -37.8085 30.1531 -58.8278 15.2889 -37.8086 15.2889 11.6681 GPRESSAVG: 3081400 -5.53742 32.3843 -38.2365 29.1968 -61.1918 16.9406 -40.2566 13.7242 13.4697 TIMING: 3081400 CPU: 9181.98, 0.00294887/step Wall: 9181.98, 0.00294888/step, 1.57159 hours remaining, 209.265625 MB of memory in use. ENERGY: 3081400 726.0949 2095.9356 1927.7419 120.4913 -206517.0454 18055.4539 0.0000 0.0000 34192.8083 -149398.5196 298.6143 -183591.3279 -149298.8937 298.3452 162.5402 198.5541 556861.7904 -17.6308 -17.7532 PRESSURE: 3081600 -187.858 244.049 60.0893 244.048 10.308 106.923 60.0896 106.923 117.219 GPRESSURE: 3081600 -117.964 202.382 155.119 250.058 60.2342 161.198 -15.9653 43.8054 86.2285 PRESSAVG: 3081600 8.40578 35.1632 -12.6375 35.1632 -41.5297 32.1098 -12.6374 32.1099 24.396 GPRESSAVG: 3081600 8.65498 34.0877 -12.7785 35.4254 -41.4614 28.5221 -10.0028 34.4109 24.342 TIMING: 3081600 CPU: 9182.56, 0.00293594/step Wall: 9182.56, 0.00293594/step, 1.56453 hours remaining, 209.265625 MB of memory in use. ENERGY: 3081600 769.4180 2125.0093 1935.8324 107.3835 -206323.4505 17970.5725 0.0000 0.0000 34150.2194 -149265.0154 298.2424 -183415.2347 -149182.7959 299.0911 -20.1105 9.4995 558011.9397 -2.9093 -2.8215 PRESSURE: 3081800 -355.714 -68.5513 -46.5354 -68.55 -280.225 122.633 -46.5355 122.632 78.789 GPRESSURE: 3081800 -353.842 -39.0483 -110.653 -76.5692 -219.254 54.6297 -70.4624 76.0059 111.497 PRESSAVG: 3081800 6.31615 86.929 -76.9437 86.929 -35.9111 26.9044 -76.9437 26.9044 17.3262 GPRESSAVG: 3081800 6.53194 88.1188 -77.2911 85.708 -34.2673 27.7604 -78.7661 26.2605 15.9242 TIMING: 3081800 CPU: 9183.15, 0.0029264/step Wall: 9183.15, 0.0029264/step, 1.55928 hours remaining, 209.265625 MB of memory in use. ENERGY: 3081800 808.4466 2084.4253 1945.1712 116.0015 -206162.2768 17631.8534 0.0000 0.0000 34262.9264 -149313.4524 299.2267 -183576.3788 -149233.2251 299.3226 -185.7167 -153.8662 557487.5688 -4.0896 -3.9370 PRESSURE: 3082000 191.091 -195.081 240.509 -195.081 -41.9948 69.2554 240.51 69.2545 -46.4839 GPRESSURE: 3082000 234.467 -206.904 274.247 -154.24 -24.6595 68.0153 204.696 102.558 -21.7039 PRESSAVG: 3082000 26.4701 38.6535 33.4581 38.6534 -27.428 -11.1453 33.4581 -11.1453 -7.67111 GPRESSAVG: 3082000 27.2369 38.3073 33.0824 35.6944 -27.3939 -12.2628 33.6578 -9.21728 -7.91087 TIMING: 3082000 CPU: 9183.74, 0.00293526/step Wall: 9183.74, 0.00293526/step, 1.56384 hours remaining, 209.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3082000 722.5508 2107.6286 1925.5329 115.7030 -206164.3523 17720.3488 0.0000 0.0000 34332.7128 -149239.8755 299.8361 -183572.5882 -149140.5100 299.5581 34.2042 62.7011 558112.1791 -2.8763 -2.6893 PRESSURE: 3082200 17.9045 -117.626 -1.43675 -117.626 -145.396 -111.389 -1.43624 -111.388 42.8617 GPRESSURE: 3082200 27.8521 -98.2965 -34.1942 -159.339 -80.197 -74.0143 -56.8174 -139.864 58.1953 PRESSAVG: 3082200 -50.7773 57.9156 -30.513 57.9155 42.0739 -67.6142 -30.513 -67.6142 42.5141 GPRESSAVG: 3082200 -51.5358 57.0565 -29.4643 58.44 41.2873 -65.1231 -31.4136 -70.3549 43.5688 TIMING: 3082200 CPU: 9184.33, 0.00295637/step Wall: 9184.33, 0.00295637/step, 1.57492 hours remaining, 209.265625 MB of memory in use. ENERGY: 3082200 785.1104 2035.6363 1926.7083 121.0944 -206238.5200 17857.6314 0.0000 0.0000 34298.9363 -149213.4030 299.5411 -183512.3392 -149123.0513 300.3400 -28.2099 1.9501 556598.7581 11.2702 11.1068 PRESSURE: 3082400 21.6877 -121.472 -183.357 -121.472 23.0262 -15.9884 -183.358 -15.9871 -229.243 GPRESSURE: 3082400 -32.2167 -150.311 -195.237 -75.5762 101.745 6.63726 -118.957 -43.9199 -141.697 PRESSAVG: 3082400 -37.272 31.0594 -53.3974 31.0595 -25.5274 -1.88028 -53.3974 -1.88021 88.3313 GPRESSAVG: 3082400 -36.9927 31.7802 -53.4512 32.1964 -25.7916 -2.45984 -52.4617 -2.5648 87.9823 TIMING: 3082400 CPU: 9184.91, 0.00293722/step Wall: 9184.91, 0.00293722/step, 1.56456 hours remaining, 209.265625 MB of memory in use. ENERGY: 3082400 736.5064 2100.5360 1947.2919 123.7193 -206106.4193 17753.9968 0.0000 0.0000 34359.4090 -149084.9598 300.0693 -183444.3688 -148994.1283 299.7431 -61.5097 -24.0564 558506.3727 8.5106 8.3993 PRESSURE: 3082600 -162.523 84.9399 17.6074 84.939 36.3562 65.2426 17.609 65.2435 30.9983 GPRESSURE: 3082600 -84.1323 92.4882 20.0115 157.621 61.1521 89.9052 72.456 59.5101 29.8341 PRESSAVG: 3082600 4.0872 7.09145 -4.31424 7.09144 1.32181 23.6331 -4.31422 23.6331 33.6618 GPRESSAVG: 3082600 3.23209 4.73202 -5.93475 7.14342 1.56568 24.9195 -5.20729 23.9128 34.053 TIMING: 3082600 CPU: 9185.5, 0.00294717/step Wall: 9185.5, 0.00294717/step, 1.5697 hours remaining, 209.265625 MB of memory in use. ENERGY: 3082600 778.4241 2087.9147 1912.3070 126.5669 -205976.4430 17811.8150 0.0000 0.0000 34188.6447 -149070.7706 298.5779 -183259.4153 -148983.5013 299.9681 -31.7229 2.2847 557742.9546 13.0236 12.9503 PRESSURE: 3082800 54.5722 65.7597 185.557 65.7593 158.412 83.421 185.555 83.4206 -60.2771 GPRESSURE: 3082800 86.3046 142.012 54.445 -17.9052 180.832 79.0064 252.646 41.2334 -27.2727 PRESSAVG: 3082800 34.8668 24.643 -68.3242 24.643 35.109 31.2213 -68.3242 31.2213 -28.8429 GPRESSAVG: 3082800 34.7331 26.3252 -68.7008 25.9011 35.4496 29.0173 -68.0585 32.8368 -29.6206 TIMING: 3082800 CPU: 9186.09, 0.00294877/step Wall: 9186.09, 0.00294877/step, 1.57038 hours remaining, 209.265625 MB of memory in use. ENERGY: 3082800 746.7163 2099.1430 1931.0120 121.2137 -206253.3976 17947.9714 0.0000 0.0000 34336.2193 -149071.1220 299.8667 -183407.3413 -148970.8494 300.2254 50.9022 79.9546 556786.2983 13.7109 13.5207 PRESSURE: 3083000 -122.235 -166.13 -6.9298 -166.13 -223.593 -83.9515 -6.93042 -83.9506 -232.833 GPRESSURE: 3083000 -83.7982 -104.258 -24.4721 -148.883 -214.036 -44.3031 -79.4567 -93.1483 -187.76 PRESSAVG: 3083000 -17.4453 -54.2087 5.75162 -54.2087 38.5472 43.7465 5.75167 43.7464 17.3566 GPRESSAVG: 3083000 -17.4785 -53.2897 6.98321 -56.1781 39.1803 43.8172 6.19689 46.0314 16.7148 TIMING: 3083000 CPU: 9186.68, 0.00294356/step Wall: 9186.68, 0.00294356/step, 1.56745 hours remaining, 209.265625 MB of memory in use. ENERGY: 3083000 728.9390 2125.9445 1936.0625 116.6865 -205954.0279 17511.7723 0.0000 0.0000 34404.0624 -149130.5607 300.4592 -183534.6231 -149032.1951 300.2896 -192.8874 -161.8645 558469.7302 12.8195 12.8055 PRESSURE: 3083200 259.882 70.9325 -112.13 70.9335 -143.213 -63.1715 -112.129 -63.1715 -17.4771 GPRESSURE: 3083200 320.946 155.524 -101.524 -23.8682 -161.766 30.875 -63.7552 -20.0683 45.5341 PRESSAVG: 3083200 27.3954 -5.66456 -11.3625 -5.66448 -2.93314 -26.7862 -11.3625 -26.7862 -52.1736 GPRESSAVG: 3083200 27.6335 -6.86609 -12.4356 -3.65628 -3.68788 -26.7417 -10.9315 -28.644 -52.1102 TIMING: 3083200 CPU: 9187.27, 0.0029479/step Wall: 9187.27, 0.0029479/step, 1.56959 hours remaining, 209.265625 MB of memory in use. ENERGY: 3083200 726.1338 2115.6023 1921.4797 115.9190 -206113.5105 17843.5140 0.0000 0.0000 34181.9953 -149208.8665 298.5199 -183390.8618 -149118.0398 298.8771 33.0638 68.2381 558074.3398 -9.2371 -9.3882 PRESSURE: 3083400 76.011 -42.1943 -176.881 -42.1939 124.122 -100.657 -176.881 -100.656 -128.983 GPRESSURE: 3083400 115.727 -78.021 -248.697 -39.3202 113.911 -110.401 -161.613 -18.568 -47.5404 PRESSAVG: 3083400 39.9598 38.3173 -3.26466 38.3174 -47.0146 -45.5632 -3.26477 -45.5633 -52.8988 GPRESSAVG: 3083400 39.6076 38.7341 -2.9248 37.1921 -47.5965 -44.0479 -4.38185 -46.9619 -52.4717 TIMING: 3083400 CPU: 9187.86, 0.00293838/step Wall: 9187.86, 0.00293838/step, 1.56436 hours remaining, 209.265625 MB of memory in use. ENERGY: 3083400 776.6809 2111.7111 1941.4424 109.2636 -206250.2750 17937.3967 0.0000 0.0000 34061.1095 -149312.6709 297.4641 -183373.7803 -149217.8133 298.6198 23.7166 60.6993 558405.4993 -19.9846 -20.1535 PRESSURE: 3083600 22.2069 -118.486 73.0123 -118.486 -359.202 74.4733 73.0134 74.4728 -152.517 GPRESSURE: 3083600 43.1933 -116.929 50.5681 -167.442 -288.781 59.5153 -31.5831 139.931 -151.946 PRESSAVG: 3083600 27.7887 -23.3609 -29.0484 -23.3609 -41.3543 -6.88339 -29.0483 -6.88342 -4.58122 GPRESSAVG: 3083600 28.3465 -24.1547 -26.8232 -21.9282 -41.2075 -6.80134 -30.4599 -4.70421 -4.9098 TIMING: 3083600 CPU: 9188.45, 0.00294057/step Wall: 9188.45, 0.00294057/step, 1.56536 hours remaining, 209.265625 MB of memory in use. ENERGY: 3083600 759.2915 2072.6064 1932.9972 128.1422 -205944.2831 17569.6664 0.0000 0.0000 34060.8970 -149420.6823 297.4623 -183481.5794 -149321.4310 298.5441 -163.1708 -132.5111 558103.1303 -6.0489 -5.9236 PRESSURE: 3083800 -107.747 -47.8708 108.298 -47.8712 -222.946 62.5552 108.298 62.5548 -188.988 GPRESSURE: 3083800 -53.0748 -56.8639 188.525 -50.5308 -194.156 109.282 101.6 32.0937 -164.709 PRESSAVG: 3083800 39.9284 -17.1734 7.49647 -17.1734 -101.101 -5.79155 7.49647 -5.79164 96.2725 GPRESSAVG: 3083800 38.864 -14.9166 4.29965 -19.5269 -100.816 -6.8016 10.3563 -7.44918 96.89 TIMING: 3083800 CPU: 9189.03, 0.00293749/step Wall: 9189.03, 0.00293749/step, 1.56356 hours remaining, 209.265625 MB of memory in use. ENERGY: 3083800 809.2704 2110.7361 1931.1531 104.9167 -206337.5885 17713.4196 0.0000 0.0000 34294.9739 -149373.1187 299.5065 -183668.0926 -149277.3900 299.1419 -173.2274 -137.3135 558664.9910 11.6998 11.6460 PRESSURE: 3084000 15.564 6.82778 155.157 6.82776 -231.307 -120.89 155.158 -120.892 -216.691 GPRESSURE: 3084000 67.3442 -19.7649 95.058 -7.49263 -250.906 -93.2117 213.614 -102.62 -142.788 PRESSAVG: 3084000 73.7986 -43.181 32.9022 -43.181 -85.3509 -6.35845 32.9022 -6.35838 -19.9918 GPRESSAVG: 3084000 74.1436 -45.8274 34.1357 -41.8599 -86.4725 -5.53825 31.6038 -4.98234 -19.7732 TIMING: 3084000 CPU: 9189.62, 0.00292877/step Wall: 9189.62, 0.00292877/step, 1.55876 hours remaining, 209.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3084000 799.2739 2057.7158 1945.3700 115.6692 -206326.3151 17740.0219 0.0000 0.0000 34216.2555 -149452.0088 298.8191 -183668.2643 -149350.0555 299.4857 -144.1445 -108.7834 557072.7123 -10.5147 -10.7007 PRESSURE: 3084200 186.3 -121.049 46.9567 -121.048 -338.799 -78.7448 46.9574 -78.7454 -43.1345 GPRESSURE: 3084200 203.213 -130.079 71.0066 -65.8098 -273.089 -144.877 51.3378 -105.363 -22.9123 PRESSAVG: 3084200 116.039 -23.484 34.9782 -23.484 19.4284 15.2203 34.9782 15.2206 -97.1861 GPRESSAVG: 3084200 116.683 -23.4583 35.7561 -22.9709 20.796 13.2419 34.8188 14.4782 -98.8138 TIMING: 3084200 CPU: 9190.21, 0.00296329/step Wall: 9190.21, 0.00296329/step, 1.57696 hours remaining, 209.265625 MB of memory in use. ENERGY: 3084200 757.5335 2036.4097 1978.9165 114.2780 -206349.3508 17753.9605 0.0000 0.0000 34130.2268 -149578.0258 298.0678 -183708.2526 -149480.9169 298.5953 -65.2110 -30.9295 557385.3266 12.7604 12.8883 LDB: ============= START OF LOAD BALANCING ============== 9193.76 LDB: ============== END OF LOAD BALANCING =============== 9193.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9193.76 LDB: ============= START OF LOAD BALANCING ============== 9194.06 LDB: Largest compute 4772 load 0.025258 is 21.4% of average load 0.118249 LDB: Average compute 0.001735 is 1.5% of average load 0.118249 LDB: TIME 9194.06 LOAD: AVG 0.118249 MAX 0.196989 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.457 MB LDB: TIME 9194.06 LOAD: AVG 0.118249 MAX 0.196989 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.66 MB LDB: TIME 9194.06 LOAD: AVG 0.118249 MAX 0.196989 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.66 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9194.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9194.07 PRESSURE: 3084400 15.1557 83.6173 29.4624 83.6172 57.2313 0.680983 29.4616 0.678755 127.989 GPRESSURE: 3084400 68.4094 118.533 39.437 110.611 50.4739 31.8043 43.7456 -28.7729 175.908 PRESSAVG: 3084400 75.9945 -34.7055 25.9654 -34.7056 -36.9827 -14.7664 25.9655 -14.7663 -33.2687 GPRESSAVG: 3084400 76.1884 -33.6119 25.9714 -35.9362 -37.9008 -12.7457 26.1143 -13.7165 -32.6949 TIMING: 3084400 CPU: 9190.82, 0.00301254/step Wall: 9190.82, 0.00301254/step, 1.60301 hours remaining, 207.230469 MB of memory in use. ENERGY: 3084400 755.8264 2095.8056 1956.2423 123.1169 -206300.4572 17819.3973 0.0000 0.0000 34119.7261 -149430.3426 297.9761 -183550.0687 -149332.2814 298.4994 66.7919 98.2636 557446.2615 1.9144 1.8642 PRESSURE: 3084600 -233.858 -72.4573 -84.7943 -72.4587 -390.209 -79.6583 -84.7946 -79.6581 -66.6177 GPRESSURE: 3084600 -102.909 -83.5411 -78.2801 -114.665 -386.667 -94.2732 -34.033 -109.71 -101.831 PRESSAVG: 3084600 54.25 77.557 39.6237 77.5569 -93.4073 -2.25145 39.6238 -2.25152 3.70167 GPRESSAVG: 3084600 53.716 76.1431 39.8127 79.2424 -92.7431 -1.47354 39.895 -4.19677 3.52093 TIMING: 3084600 CPU: 9191.41, 0.00295083/step Wall: 9191.41, 0.00295083/step, 1.57001 hours remaining, 207.230469 MB of memory in use. ENERGY: 3084600 793.0108 2096.5391 1961.7614 104.9170 -206218.6776 17600.6855 0.0000 0.0000 34173.1807 -149488.5829 298.4429 -183661.7636 -149391.9605 298.7199 -230.2282 -197.1359 558130.9036 -11.8185 -11.8354 PRESSURE: 3084800 170.358 -17.3749 36.9083 -17.3751 -54.8426 35.6675 36.9079 35.6657 274.987 GPRESSURE: 3084800 168.825 -35.0946 -10.8812 -42.0641 -30.2112 18.3011 101.326 90.6286 348.509 PRESSAVG: 3084800 6.15972 -17.1224 17.1524 -17.1225 -49.9016 2.54692 17.1523 2.54685 37.0691 GPRESSAVG: 3084800 5.93719 -15.6733 15.0414 -18.7007 -50.1211 0.724747 18.1105 3.42384 36.8394 TIMING: 3084800 CPU: 9192.01, 0.00300013/step Wall: 9192.01, 0.00300013/step, 1.59607 hours remaining, 207.230469 MB of memory in use. ENERGY: 3084800 738.1018 2082.8637 1934.2428 107.5363 -206371.3389 18046.8907 0.0000 0.0000 34092.7324 -149368.9712 297.7403 -183461.7036 -149265.9032 299.1238 130.1675 162.3743 558516.6470 -2.2243 -2.4482 PRESSURE: 3085000 -39.2233 53.7599 5.67755 53.7599 -60.6497 6.96378 5.67677 6.96314 318.251 GPRESSURE: 3085000 -26.2926 47.9611 -67.8391 32.0753 33.02 27.3951 32.1722 -39.2795 313.921 PRESSAVG: 3085000 55.0809 11.7291 -2.2037 11.729 -70.9536 -7.95235 -2.20371 -7.95245 -11.4955 GPRESSAVG: 3085000 55.114 9.08248 0.726041 12.6441 -72.0844 -6.7229 -3.15259 -8.43404 -10.3925 TIMING: 3085000 CPU: 9192.59, 0.00294494/step Wall: 9192.59, 0.00294494/step, 1.56655 hours remaining, 207.230469 MB of memory in use. ENERGY: 3085000 708.2899 2096.6726 1911.9911 100.9275 -206366.0123 17957.1927 0.0000 0.0000 34071.3390 -149519.5994 297.5535 -183590.9384 -149425.2091 298.3567 72.7926 106.8827 557618.4374 -9.1227 -9.1210 PRESSURE: 3085200 30.4112 26.6324 -46.0651 26.6324 155.931 -60.1509 -46.0653 -60.1492 78.07 GPRESSURE: 3085200 138.992 17.9439 -112.516 12.713 153.532 -21.9347 47.2242 -25.3505 74.311 PRESSAVG: 3085200 1.06031 6.73865 -14.4127 6.73873 19.2565 14.4265 -14.4127 14.4264 33.9432 GPRESSAVG: 3085200 -0.0623799 9.06501 -15.7542 4.87018 20.6177 13.4527 -16.4649 15.6314 33.8231 TIMING: 3085200 CPU: 9193.18, 0.00292831/step Wall: 9193.18, 0.00292831/step, 1.55754 hours remaining, 207.230469 MB of memory in use. ENERGY: 3085200 725.4797 2094.9304 1938.4729 123.2093 -206785.1534 18048.9617 0.0000 0.0000 34472.8938 -149381.2056 301.0604 -183854.0995 -149282.8955 298.6459 88.1373 122.2786 556224.9189 18.0867 18.1261 PRESSURE: 3085400 -110 37.236 -68.4321 37.236 -77.3957 -25.8878 -68.4327 -25.8905 -157.164 GPRESSURE: 3085400 -123.862 83.0382 -102.012 53.5886 -21.3131 29.3584 -1.79841 -45.1232 -99.458 PRESSAVG: 3085400 58.091 -18.3431 -6.37019 -18.3432 64.6122 -8.25124 -6.37016 -8.25139 -138.818 GPRESSAVG: 3085400 58.5505 -17.8168 -8.25135 -16.8901 64.2815 -5.62167 -3.17733 -9.87623 -138.7 TIMING: 3085400 CPU: 9193.76, 0.00292182/step Wall: 9193.76, 0.00292182/step, 1.55392 hours remaining, 207.230469 MB of memory in use. ENERGY: 3085400 752.3291 2089.4860 1896.3294 107.5704 -205967.8970 17517.4121 0.0000 0.0000 34255.8345 -149348.9355 299.1647 -183604.7700 -149249.9931 299.6957 -114.8533 -81.5442 558184.6302 -5.3715 -5.2894 PRESSURE: 3085600 61.5146 -67.4459 -114.522 -67.446 -61.1102 88.9319 -114.521 88.9334 -15.4707 GPRESSURE: 3085600 102.838 -160.817 -85.5638 69.7538 -24.6372 36.0026 -71.613 18.8005 13.7677 PRESSAVG: 3085600 36.9777 14.5499 20.6288 14.5498 41.2321 -7.85676 20.6288 -7.85678 -49.4946 GPRESSAVG: 3085600 36.2962 13.0387 22.0618 13.8539 41.5805 -10.0234 20.1132 -6.24196 -49.4735 TIMING: 3085600 CPU: 9194.35, 0.00290942/step Wall: 9194.35, 0.00290942/step, 1.54716 hours remaining, 207.230469 MB of memory in use. ENERGY: 3085600 730.5545 2091.8260 1927.8735 117.5916 -206288.6798 17797.1198 0.0000 0.0000 34293.8423 -149329.8721 299.4967 -183623.7144 -149232.1495 298.9107 -5.0221 30.6562 556541.3504 9.5718 9.4677 PRESSURE: 3085800 -77.6099 112.548 -105.279 112.547 -294.117 90.8576 -105.277 90.8583 -17.15 GPRESSURE: 3085800 -28.5456 89.2116 70.0837 150.678 -288.042 19.6287 -161.211 88.1186 21.3439 PRESSAVG: 3085800 22.5171 -14.4584 42.5106 -14.4583 -68.6836 21.3998 42.5106 21.3998 -11.3051 GPRESSAVG: 3085800 22.7842 -14.5903 44.5836 -13.7248 -69.085 20.9181 40.9513 20.9199 -11.3121 TIMING: 3085800 CPU: 9194.93, 0.0029094/step Wall: 9194.93, 0.0029094/step, 1.54699 hours remaining, 207.230469 MB of memory in use. ENERGY: 3085800 746.1718 2068.8689 1919.0324 113.9278 -205565.9139 17410.4249 0.0000 0.0000 34120.9002 -149186.5880 297.9863 -183307.4882 -149088.8029 299.3474 -129.6257 -98.4145 557891.7874 -19.1572 -19.2043 PRESSURE: 3086000 266.305 -67.3486 -139.435 -67.3504 -37.1527 137.126 -139.435 137.127 68.3269 GPRESSURE: 3086000 328.29 -32.9301 -129.637 -81.8522 -31.2077 176.893 -44.3167 138.16 78.7575 PRESSAVG: 3086000 65.2434 -13.8681 9.35716 -13.8682 -46.931 24.0482 9.35721 24.0483 -4.95507 GPRESSAVG: 3086000 65.2648 -14.0245 8.43177 -13.1526 -46.6464 24.7721 8.09552 24.8969 -5.59567 TIMING: 3086000 CPU: 9195.51, 0.00291571/step Wall: 9195.51, 0.00291571/step, 1.55019 hours remaining, 207.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3086000 750.8027 2098.5854 1910.1199 113.4654 -206258.5433 17847.9742 0.0000 0.0000 34415.5975 -149121.9982 300.5600 -183537.5957 -149031.6373 299.4043 99.1597 125.2800 556284.1843 4.4525 4.3409 PRESSURE: 3086200 136.945 8.79589 -45.6318 8.7966 -42.4387 177.155 -45.632 177.155 -289.601 GPRESSURE: 3086200 160.362 27.3797 26.5449 56.1888 -11.5305 117.085 -37.6002 233.852 -236.355 PRESSAVG: 3086200 45.6946 29.5332 -53.9951 29.5332 -11.9191 -19.2632 -53.9951 -19.2632 -40.709 GPRESSAVG: 3086200 46.8377 29.8739 -54.2884 28.8577 -13.0621 -18.8233 -54.1402 -21.2208 -40.8437 TIMING: 3086200 CPU: 9196.1, 0.00294624/step Wall: 9196.1, 0.00294624/step, 1.56625 hours remaining, 207.230469 MB of memory in use. ENERGY: 3086200 749.8172 2036.4652 1921.9005 100.6207 -205907.0200 17795.3468 0.0000 0.0000 34072.2054 -149230.6643 297.5610 -183302.8697 -149131.4170 299.2110 -65.0314 -29.1748 558669.7955 -2.3112 -2.3561 PRESSURE: 3086400 -31.0149 9.59034 123.546 9.58931 141.901 -57.3683 123.546 -57.3689 -259.332 GPRESSURE: 3086400 7.68199 48.573 109.639 37.7806 197.619 -72.8556 107.464 -75.7695 -259.14 PRESSAVG: 3086400 0.0558026 -2.59258 -2.33682 -2.59267 16.3683 -11.9436 -2.33679 -11.9437 -4.48378 GPRESSAVG: 3086400 -0.211236 -2.42886 -1.04932 -1.29182 16.5951 -11.5847 -1.73234 -11.4324 -4.60145 TIMING: 3086400 CPU: 9196.69, 0.00296928/step Wall: 9196.69, 0.00296928/step, 1.57834 hours remaining, 207.230469 MB of memory in use. ENERGY: 3086400 721.5750 2065.4176 1943.0464 111.0337 -205933.1574 17653.6000 0.0000 0.0000 34141.5369 -149296.9479 298.1665 -183438.4847 -149205.7556 298.9597 -49.4820 -17.9466 558153.5991 3.9801 3.9275 PRESSURE: 3086600 -145.514 85.1984 -83.6016 85.1992 58.9096 23.4124 -83.6026 23.4121 132.839 GPRESSURE: 3086600 -97.6281 32.0541 -94.7001 -6.41666 60.9215 18.9071 -105.492 -22.9155 177.801 PRESSAVG: 3086600 46.5543 -17.612 -8.53289 -17.612 7.49794 54.4631 -8.53289 54.463 -43.5171 GPRESSAVG: 3086600 45.9401 -17.009 -9.4747 -18.8121 7.8903 55.2387 -9.38098 54.2725 -42.8254 TIMING: 3086600 CPU: 9197.29, 0.00296129/step Wall: 9197.29, 0.00296129/step, 1.57393 hours remaining, 207.230469 MB of memory in use. ENERGY: 3086600 719.6794 2089.9739 1928.9822 116.2115 -206477.5785 17789.2487 0.0000 0.0000 34318.9764 -149514.5065 299.7162 -183833.4829 -149418.9353 298.3620 15.4115 47.0315 557165.3961 3.5117 3.6684 PRESSURE: 3086800 144.495 24.9879 185.403 24.9886 80.4051 9.37284 185.403 9.37168 108.809 GPRESSURE: 3086800 206.074 69.4521 108.519 -22.588 92.2669 -64.1927 154.909 57.3159 125.754 PRESSAVG: 3086800 -3.56173 -14.3174 2.77153 -14.3174 -12.8195 -15.7006 2.77157 -15.7006 5.79639 GPRESSAVG: 3086800 -3.94586 -16.5602 1.79127 -14.1162 -12.7067 -17.5877 3.03303 -13.8199 5.60336 TIMING: 3086800 CPU: 9197.87, 0.0029354/step Wall: 9197.87, 0.0029354/step, 1.56 hours remaining, 207.230469 MB of memory in use. ENERGY: 3086800 707.9376 2102.9235 1942.8385 104.8156 -206756.9212 18002.6061 0.0000 0.0000 34147.8314 -149747.9685 298.2215 -183895.7999 -149658.4069 298.1912 111.2361 141.3652 558061.9056 -3.5283 -3.6830 PRESSURE: 3087000 105.804 36.199 129.48 36.1981 -24.8428 -75.6733 129.48 -75.6722 -196.089 GPRESSURE: 3087000 119.955 34.8169 150.343 15.5435 30.2359 -97.771 184.254 -92.7812 -164.991 PRESSAVG: 3087000 -12.2148 -3.38896 8.76298 -3.38894 -21.2224 -20.6692 8.76296 -20.6693 24.2695 GPRESSAVG: 3087000 -11.6029 -0.999213 7.48075 -2.00866 -21.519 -21.6898 10.3661 -22.0018 24.1038 TIMING: 3087000 CPU: 9198.47, 0.00296104/step Wall: 9198.47, 0.00296104/step, 1.57346 hours remaining, 207.230469 MB of memory in use. ENERGY: 3087000 713.8365 2000.1458 1935.6545 101.7439 -206314.3665 17722.5810 0.0000 0.0000 34152.1295 -149688.2753 298.2590 -183840.4048 -149590.0089 297.7854 -38.3762 -4.9332 556985.5464 -3.0559 -3.0060 PRESSURE: 3087200 -1.34181 -47.5824 -53.6366 -47.5832 -287.59 21.9719 -53.6358 21.9733 -144.943 GPRESSURE: 3087200 61.1987 -43.6422 -68.8117 -85.4874 -244.904 24.8149 -73.0427 89.7745 -161.686 PRESSAVG: 3087200 19.7934 -7.67985 33.0253 -7.6799 -14.2186 -3.72444 33.0254 -3.72441 -30.3665 GPRESSAVG: 3087200 18.9769 -9.97197 33.6867 -7.88577 -13.3789 -3.26464 30.8749 -1.89366 -30.4986 TIMING: 3087200 CPU: 9199.05, 0.00294337/step Wall: 9199.05, 0.00294337/step, 1.56391 hours remaining, 207.230469 MB of memory in use. ENERGY: 3087200 776.7676 2092.3166 1934.2314 111.4729 -206378.0987 17729.8007 0.0000 0.0000 34051.2588 -149682.2507 297.3781 -183733.5095 -149583.5391 297.4459 -144.6249 -115.1304 558283.5463 -8.2639 -8.3002 PRESSURE: 3087400 -173.283 -241.741 101.451 -241.74 -31.9635 52.0714 101.451 52.0721 -266.334 GPRESSURE: 3087400 -183.937 -219.186 238.99 -166.01 33.6027 -20.8184 -66.101 67.2716 -215.535 PRESSAVG: 3087400 25.4517 -48.3448 2.66398 -48.3449 -5.09359 -6.9349 2.6639 -6.93486 -0.388342 GPRESSAVG: 3087400 25.7081 -46.6887 4.30452 -46.7221 -4.88902 -5.35613 3.40945 -9.04048 -1.2303 TIMING: 3087400 CPU: 9199.64, 0.00294428/step Wall: 9199.64, 0.00294428/step, 1.56423 hours remaining, 207.230469 MB of memory in use. ENERGY: 3087400 737.6243 2115.4663 1949.2213 110.4542 -206175.0184 17606.5242 0.0000 0.0000 34131.5049 -149524.2232 298.0789 -183655.7281 -149426.9438 297.6998 -157.1937 -121.9566 557760.4884 6.6566 6.5296 PRESSURE: 3087600 -91.0407 45.6703 23.3737 45.671 -62.9746 -85.8901 23.3733 -85.8893 -4.90627 GPRESSURE: 3087600 -63.3121 33.0163 14.4622 -17.0166 -9.13852 -158.346 58.401 -71.3806 -4.23925 PRESSAVG: 3087600 29.7093 -5.03317 12.7634 -5.03319 -31.0384 14.3927 12.7635 14.3927 -17.408 GPRESSAVG: 3087600 30.2597 -5.37316 10.6173 -7.54672 -31.872 12.5597 13.2901 15.5317 -16.9025 TIMING: 3087600 CPU: 9200.23, 0.00293984/step Wall: 9200.23, 0.00293984/step, 1.56171 hours remaining, 207.230469 MB of memory in use. ENERGY: 3087600 778.4761 2133.1579 1913.8165 111.5099 -206841.1022 18009.7768 0.0000 0.0000 34308.4655 -149585.8995 299.6244 -183894.3649 -149489.4075 298.0438 -52.9739 -25.5633 557425.1048 -6.2457 -6.1716 PRESSURE: 3087800 -36.8044 -20.9405 -30.3741 -20.94 -283.197 -82.9377 -30.3742 -82.9385 -75.5553 GPRESSURE: 3087800 30.2368 -18.5586 -45.8241 -46.4392 -288.034 -163.289 -99.1499 -59.9739 -52.9634 PRESSAVG: 3087800 45.9892 30.6847 -7.3304 30.6848 -33.9701 -41.8986 -7.33039 -41.8986 53.9769 GPRESSAVG: 3087800 45.3595 29.7843 -6.55934 31.7087 -33.9853 -39.6045 -9.21907 -43.4344 54.0726 TIMING: 3087800 CPU: 9200.81, 0.00289988/step Wall: 9200.81, 0.00289988/step, 1.54032 hours remaining, 207.230469 MB of memory in use. ENERGY: 3087800 776.6115 2100.1363 1940.2071 114.1558 -206677.9117 17806.8822 0.0000 0.0000 34220.2765 -149719.6422 298.8542 -183939.9187 -149617.9739 297.9913 -131.8520 -103.5868 556377.7977 21.9987 21.8156 PRESSURE: 3088000 -349.032 -61.6784 47.1292 -61.6778 -41.3548 -136.771 47.1294 -136.772 -147.666 GPRESSURE: 3088000 -383.398 -85.6711 50.0303 -47.6907 -17.1412 -118.358 63.2957 -71.9557 -40.7777 PRESSAVG: 3088000 4.84347 16.7743 -2.44569 16.7744 -7.49054 -7.47327 -2.44576 -7.47337 -0.626668 GPRESSAVG: 3088000 5.72971 16.5576 -3.2168 15.846 -9.18456 -8.9026 -1.02158 -5.04718 -0.214321 TIMING: 3088000 CPU: 9201.39, 0.00291633/step Wall: 9201.39, 0.00291633/step, 1.5489 hours remaining, 207.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3088000 750.3704 2059.1265 1946.8168 123.5396 -206137.3865 17587.0822 0.0000 0.0000 34005.6904 -149664.7607 296.9802 -183670.4511 -149568.6827 297.6243 -179.3511 -147.1058 557503.7822 -1.0912 -1.2231 PRESSURE: 3088200 -223.734 -94.9792 -63.5194 -94.9779 -144.411 -79.6193 -63.518 -79.6203 67.9309 GPRESSURE: 3088200 -182.956 -190.502 -63.1643 -13.7916 -50.7886 -3.53513 6.99211 -127.207 41.2224 PRESSAVG: 3088200 -46.9133 -51.1411 22.7023 -51.1412 7.52236 12.9588 22.7023 12.9587 32.2912 GPRESSAVG: 3088200 -48.1562 -50.8564 24.631 -49.6649 8.2436 13.704 22.666 11.0029 32.8602 TIMING: 3088200 CPU: 9201.98, 0.00293965/step Wall: 9201.98, 0.00293965/step, 1.56112 hours remaining, 207.710938 MB of memory in use. ENERGY: 3088200 729.8358 2070.5376 1966.0945 102.9257 -206085.4918 17535.9861 0.0000 0.0000 34132.6621 -149547.4501 298.0890 -183680.1122 -149453.0942 297.8272 -100.0715 -64.1741 555718.9149 -2.3666 -2.3508 LDB: ============= START OF LOAD BALANCING ============== 9205.53 LDB: ============== END OF LOAD BALANCING =============== 9205.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9205.53 LDB: ============= START OF LOAD BALANCING ============== 9205.82 LDB: Largest compute 4773 load 0.023858 is 20.2% of average load 0.118260 LDB: Average compute 0.001741 is 1.5% of average load 0.118260 LDB: TIME 9205.83 LOAD: AVG 0.11826 MAX 0.196475 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.184 MB LDB: TIME 9205.83 LOAD: AVG 0.11826 MAX 0.196475 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.242 MB LDB: TIME 9205.83 LOAD: AVG 0.11826 MAX 0.196475 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.242 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9205.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9205.83 PRESSURE: 3088400 -227.572 -109.726 31.7601 -109.727 -239.839 22.6132 31.7604 22.613 -82.4494 GPRESSURE: 3088400 -152.706 -60.319 103.945 -127.021 -267.928 -35.5022 -40.0384 -13.514 -31.3333 PRESSAVG: 3088400 -36.2384 -42.5705 19.0055 -42.5705 4.4365 -24.2181 19.0055 -24.2181 44.7247 GPRESSAVG: 3088400 -35.1142 -41.1846 19.6896 -46.4273 4.04166 -25.0656 19.0606 -23.3118 44.0739 TIMING: 3088400 CPU: 9202.58, 0.00299351/step Wall: 9202.58, 0.00299351/step, 1.58955 hours remaining, 207.207031 MB of memory in use. ENERGY: 3088400 751.3512 2065.2975 1973.4838 106.2423 -206281.6161 17470.4610 0.0000 0.0000 34403.5803 -149511.2000 300.4550 -183914.7803 -149413.5811 298.6095 -183.2870 -150.6557 554031.9331 4.3076 4.3338 PRESSURE: 3088600 331.733 -88.7364 36.4064 -88.7365 59.7012 -68.225 36.4071 -68.2254 -201.157 GPRESSURE: 3088600 360.528 -1.83076 65.8723 -109.473 124.077 -151.556 -8.73623 57.8174 -199.746 PRESSAVG: 3088600 -19.3341 -18.5926 -22.0237 -18.5926 -1.39609 -27.9453 -22.0236 -27.9452 43.1806 GPRESSAVG: 3088600 -19.2581 -17.8089 -23.5934 -18.6983 -0.409752 -28.7792 -21.5925 -28.5447 42.0378 TIMING: 3088600 CPU: 9203.17, 0.00293977/step Wall: 9203.17, 0.00293977/step, 1.56085 hours remaining, 207.207031 MB of memory in use. ENERGY: 3088600 737.4617 2006.1149 1964.1034 117.6201 -206030.3058 17725.3696 0.0000 0.0000 34058.5291 -149421.1070 297.4416 -183479.6361 -149325.1937 298.8439 63.4260 94.9530 555447.8995 7.4835 7.4567 PRESSURE: 3088800 96.639 20.9627 -16.9718 20.9625 31.578 56.5891 -16.9716 56.59 63.2011 GPRESSURE: 3088800 111.387 61.9092 -1.88064 52.2415 40.4773 102.217 -33.8123 -2.1144 140.677 PRESSAVG: 3088800 -14.8408 -14.3312 29.9259 -14.3312 45.3715 25.4387 29.9258 25.4387 -29.9199 GPRESSAVG: 3088800 -15.9489 -14.3242 30.014 -13.8193 45.0219 27.5405 29.7598 25.1107 -28.9015 TIMING: 3088800 CPU: 9203.76, 0.00293365/step Wall: 9203.76, 0.00293365/step, 1.55744 hours remaining, 207.207031 MB of memory in use. ENERGY: 3088800 786.6007 2094.3122 1933.2582 111.0957 -206432.1075 17941.4118 0.0000 0.0000 34082.5669 -149482.8619 297.6515 -183565.4288 -149394.8510 298.4206 63.8060 97.5136 555465.3111 0.2036 0.0572 PRESSURE: 3089000 -117.031 -103.061 -76.5278 -103.061 -146.478 -77.6527 -76.5273 -77.6533 -83.0298 GPRESSURE: 3089000 -59.0997 -0.145857 -64.8884 -184.739 -95.8759 -70.5124 -45.8446 -157.398 -98.2291 PRESSAVG: 3089000 -34.3166 -34.048 19.8734 -34.048 27.9141 -0.461482 19.8733 -0.461476 -9.04395 GPRESSAVG: 3089000 -34.2098 -35.3596 19.061 -31.636 28.0927 -3.92978 21.9158 1.23589 -8.94413 TIMING: 3089000 CPU: 9204.35, 0.00295866/step Wall: 9204.35, 0.00295866/step, 1.57056 hours remaining, 207.207031 MB of memory in use. ENERGY: 3089000 754.9573 2078.6561 1945.3011 100.4996 -205860.8155 17503.4257 0.0000 0.0000 34122.2732 -149355.7025 297.9983 -183477.9758 -149253.0768 298.5181 -115.5130 -84.4016 558060.2999 -5.1488 -5.0204 PRESSURE: 3089200 -69.3396 82.5412 -136.85 82.5412 -12.9891 -4.24938 -136.851 -4.24922 -12.2116 GPRESSURE: 3089200 -44.1672 183.154 -83.0707 91.3916 39.4872 8.64228 -224.49 55.4701 -2.14207 PRESSAVG: 3089200 -13.1013 4.28863 -65.1889 4.28861 14.9042 -16.296 -65.1889 -16.2961 -3.43029 GPRESSAVG: 3089200 -12.1091 2.64301 -63.7461 5.36002 12.9591 -15.8768 -67.1543 -16.086 -2.97989 TIMING: 3089200 CPU: 9204.93, 0.00292605/step Wall: 9204.93, 0.00292605/step, 1.55308 hours remaining, 207.207031 MB of memory in use. ENERGY: 3089200 741.0126 2092.9329 1958.9910 105.5139 -206539.1065 17866.0526 0.0000 0.0000 34441.6638 -149332.9397 300.7876 -183774.6035 -149236.1534 299.3151 -31.5134 -2.2740 556438.4296 -0.5425 -0.7100 PRESSURE: 3089400 52.6602 -79.4445 113.925 -79.4447 32.5264 144.06 113.926 144.059 -50.4927 GPRESSURE: 3089400 24.6716 -8.74557 18.8124 -63.6666 94.2234 70.1824 151.622 242.868 8.71688 PRESSAVG: 3089400 35.8542 7.60895 -43.7324 7.60898 -2.91702 15.3449 -43.7325 15.3447 -40.3706 GPRESSAVG: 3089400 35.8946 9.65829 -45.2183 4.26082 -2.0752 16.7479 -41.6836 12.8622 -41.5113 TIMING: 3089400 CPU: 9205.52, 0.0029324/step Wall: 9205.52, 0.0029324/step, 1.55629 hours remaining, 207.207031 MB of memory in use. ENERGY: 3089400 779.0833 2060.3208 1928.1769 109.2855 -205990.9520 17939.8969 0.0000 0.0000 34158.8766 -149015.3119 298.3180 -183174.1886 -148925.8020 299.1831 11.5646 42.5373 557878.9325 -2.4778 -2.5640 PRESSURE: 3089600 -58.0994 1.56374 -86.3729 1.56285 42.9349 48.9832 -86.3753 48.9815 -243.734 GPRESSURE: 3089600 28.884 -2.65454 -131.602 -4.54768 -0.506645 70.7576 -91.4448 33.559 -194.48 PRESSAVG: 3089600 -57.7077 27.2296 -7.97975 27.2296 98.11 27.6956 -7.9797 27.6956 -32.6064 GPRESSAVG: 3089600 -58.3203 26.3087 -5.45256 28.2378 98.2961 25.7934 -10.8878 30.5896 -32.3318 TIMING: 3089600 CPU: 9206.11, 0.00293403/step Wall: 9206.11, 0.00293403/step, 1.55699 hours remaining, 207.246094 MB of memory in use. ENERGY: 3089600 765.8036 2014.3001 1921.4077 118.4380 -205811.9623 17641.3328 0.0000 0.0000 34356.7941 -148993.8860 300.0464 -183350.6801 -148899.5675 299.8851 -86.2995 -55.3677 557165.2244 2.5986 2.5480 PRESSURE: 3089800 -39.9202 61.9644 96.7773 61.964 36.8874 4.51249 96.7769 4.51161 -14.4223 GPRESSURE: 3089800 35.8648 13.8873 -15.6595 34.2963 52.5822 -44.7417 123.591 48.7324 5.66638 PRESSAVG: 3089800 -17.686 16.7418 -22.6591 16.7418 77.9724 -3.28692 -22.6591 -3.28695 -53.7256 GPRESSAVG: 3089800 -17.6434 17.6918 -22.8009 15.6144 78.4476 -0.921302 -23.4702 -4.17466 -54.4202 TIMING: 3089800 CPU: 9206.7, 0.00295269/step Wall: 9206.7, 0.00295269/step, 1.56673 hours remaining, 207.484375 MB of memory in use. ENERGY: 3089800 766.3897 2099.7849 1931.6519 118.1663 -206009.4543 17757.2948 0.0000 0.0000 34251.0726 -149085.0941 299.1231 -183336.1666 -148995.7047 299.4743 -5.8184 31.3711 557791.5046 2.1869 2.1280 PRESSURE: 3090000 182.706 1.18134 -42.2686 1.18289 338.049 -193.828 -42.2683 -193.828 -95.3101 GPRESSURE: 3090000 175.824 3.48528 -104.959 46.3961 367.691 -91.9463 -78.2406 -181.241 -27.4305 PRESSAVG: 3090000 19.3627 12.1442 24.1064 12.1443 16.934 -48.0701 24.1064 -48.07 -39.3221 GPRESSAVG: 3090000 20.4256 11.1169 22.9712 12.8341 15.9809 -49.6199 23.4419 -49.3088 -39.5528 TIMING: 3090000 CPU: 9207.3, 0.00299048/step Wall: 9207.3, 0.00299048/step, 1.58661 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3090000 730.8430 2062.3826 1921.0411 109.3117 -206146.0219 17865.7096 0.0000 0.0000 34437.4533 -149019.2805 300.7508 -183456.7338 -148926.5859 300.0090 141.8150 172.0283 556775.0923 -1.0084 -1.0488 PRESSURE: 3090200 314.556 -65.4202 -67.2603 -65.42 328.18 108.726 -67.2589 108.726 124.062 GPRESSURE: 3090200 363.111 -114.882 -79.6971 -19.1043 363.246 95.2311 -181.339 72.7704 136.821 PRESSAVG: 3090200 79.7528 -17.78 5.62419 -17.78 -39.9284 18.1611 5.62421 18.161 -28.2175 GPRESSAVG: 3090200 79.7645 -19.152 4.30726 -16.2604 -39.7216 17.4988 7.97728 16.9934 -29.0076 TIMING: 3090200 CPU: 9207.89, 0.00299582/step Wall: 9207.89, 0.00299582/step, 1.58928 hours remaining, 207.484375 MB of memory in use. ENERGY: 3090200 739.4094 2117.1135 1914.7166 111.5135 -206228.6713 18117.2814 0.0000 0.0000 34123.3855 -149105.2515 298.0080 -183228.6370 -149012.5149 299.8989 255.5989 287.7259 557180.0767 3.8690 3.6784 PRESSURE: 3090400 9.50779 -23.0213 17.3875 -23.0214 203.983 11.1957 17.3863 11.1934 104.574 GPRESSURE: 3090400 5.56081 -114.457 -49.4735 -68.4885 217.154 16.0938 51.3875 47.1349 201.982 PRESSAVG: 3090400 -48.6696 -11.4242 6.72929 -11.4241 24.9224 -16.6431 6.7294 -16.6432 12.0656 GPRESSAVG: 3090400 -48.2569 -8.70531 7.4792 -14.1271 23.3277 -14.8864 6.98127 -15.4792 13.8131 TIMING: 3090400 CPU: 9208.49, 0.00299071/step Wall: 9208.49, 0.00299071/step, 1.5864 hours remaining, 207.484375 MB of memory in use. ENERGY: 3090400 688.8087 2020.0622 1930.7860 102.6462 -205990.6877 17915.4675 0.0000 0.0000 34146.2649 -149186.6521 298.2078 -183332.9171 -149086.0973 300.0417 106.0217 141.5658 559008.4584 -3.8938 -3.7054 PRESSURE: 3090600 25.3595 -60.8459 -57.1586 -60.8459 7.35593 96.1305 -57.1585 96.1307 -120.476 GPRESSURE: 3090600 53.0239 -91.7441 -20.1093 -89.3221 39.0096 112.009 -111.986 -38.5843 -96.0405 PRESSAVG: 3090600 47.64 -43.012 -31.8803 -43.0121 5.69208 -19.418 -31.8803 -19.4179 -6.88191 GPRESSAVG: 3090600 46.3882 -45.3546 -30.6595 -39.037 6.71377 -19.9204 -33.0801 -20.825 -7.52037 TIMING: 3090600 CPU: 9209.09, 0.0029655/step Wall: 9209.09, 0.0029655/step, 1.57287 hours remaining, 207.484375 MB of memory in use. ENERGY: 3090600 734.9600 2057.1793 1909.3172 123.1313 -206249.1062 17808.1791 0.0000 0.0000 34255.3647 -149360.9745 299.1606 -183616.3392 -149271.7978 299.5389 -29.2535 -1.3357 558385.9005 15.4834 15.1939 PRESSURE: 3090800 343.696 -242.944 -55.592 -242.943 -180.516 -62.7334 -55.5918 -62.7334 198.373 GPRESSURE: 3090800 395.318 -275.812 -85.1112 -154.108 -129.874 -58.8447 -52.8537 -125.915 208.909 PRESSAVG: 3090800 -13.491 -60.9759 0.636025 -60.9759 -19.0538 10.0815 0.635936 10.0815 29.6286 GPRESSAVG: 3090800 -13.7355 -61.386 -0.065451 -61.4589 -18.4487 9.36317 1.67371 11.3873 29.1538 TIMING: 3090800 CPU: 9209.68, 0.00296205/step Wall: 9209.68, 0.00296205/step, 1.57087 hours remaining, 207.484375 MB of memory in use. ENERGY: 3090800 729.9008 2056.5035 1919.6807 128.3810 -206785.3694 18202.2868 0.0000 0.0000 34288.3810 -149460.2355 299.4490 -183748.6165 -149358.3149 298.3254 120.5177 158.1175 556203.8434 -0.9721 -1.0101 PRESSURE: 3091000 67.9945 -158.182 84.8791 -158.181 -101.536 155.473 84.8795 155.474 -129.192 GPRESSURE: 3091000 59.923 -64.281 84.7219 -187.339 -71.5371 132.71 56.651 201.089 -52.2435 PRESSAVG: 3091000 68.7172 8.27079 4.70363 8.27078 -17.1184 7.65566 4.70371 7.65557 33.2902 GPRESSAVG: 3091000 68.2405 10.613 4.02487 8.00564 -17.8801 7.02994 5.56685 8.373 34.6956 TIMING: 3091000 CPU: 9210.27, 0.00295108/step Wall: 9210.27, 0.00295108/step, 1.56489 hours remaining, 207.484375 MB of memory in use. ENERGY: 3091000 790.7717 2097.1617 1925.0632 109.2483 -206420.9026 17815.2715 0.0000 0.0000 34162.5502 -149520.8359 298.3500 -183683.3861 -149435.3863 299.1655 -54.2444 -21.2859 555998.2991 28.2963 28.3520 PRESSURE: 3091200 29.9678 -73.4546 4.37104 -73.4565 -208.328 -93.6921 4.37224 -93.6935 213.065 GPRESSURE: 3091200 72.2139 -73.0726 37.5274 -46.5231 -151.087 -69.1943 -10.7642 -47.4472 217.157 PRESSAVG: 3091200 36.2864 -25.5248 -10.9913 -25.5249 -32.8978 50.0222 -10.9913 50.0222 35.559 GPRESSAVG: 3091200 36.9579 -25.4824 -11.3294 -27.4523 -32.5397 52.6866 -13.031 49.8482 34.5621 TIMING: 3091200 CPU: 9210.86, 0.00294241/step Wall: 9210.86, 0.00294241/step, 1.56013 hours remaining, 207.484375 MB of memory in use. ENERGY: 3091200 719.7895 2117.0600 1942.7861 109.5346 -206626.4427 17766.8616 0.0000 0.0000 34500.9733 -149469.4376 301.3056 -183970.4109 -149379.5192 299.4950 11.5682 46.0947 555416.7986 12.9825 12.9934 PRESSURE: 3091400 -117.017 -128.235 -69.0292 -128.234 -117.746 108.146 -69.028 108.146 113.074 GPRESSURE: 3091400 -22.6228 -165.591 -94.3586 -98.2348 -102.332 74.9111 -37.888 103.663 121.804 PRESSAVG: 3091400 88.633 -26.1904 -8.13905 -26.1906 -51.1826 48.8695 -8.13911 48.8695 -7.7368 GPRESSAVG: 3091400 88.5728 -26.4847 -7.17876 -23.6985 -51.2027 49.2403 -8.20086 49.066 -7.04414 TIMING: 3091400 CPU: 9211.45, 0.00295104/step Wall: 9211.45, 0.00295104/step, 1.56454 hours remaining, 207.484375 MB of memory in use. ENERGY: 3091400 766.6134 2101.3167 1912.2222 118.1252 -206439.2172 17805.8622 0.0000 0.0000 34433.9182 -149301.1593 300.7200 -183735.0775 -149201.8203 299.3095 -40.5629 -1.0504 556085.0383 9.9045 10.1086 PRESSURE: 3091600 -4.75159 53.8648 -3.59399 53.8668 -7.91327 -148.951 -3.59215 -148.951 -43.8538 GPRESSURE: 3091600 60.9657 112.137 31.1232 -70.9353 -36.2767 -105.734 28.8605 -197.09 14.9669 PRESSAVG: 3091600 -27.5842 -20.3206 18.914 -20.3206 60.9643 -15.5406 18.914 -15.5406 7.71052 GPRESSAVG: 3091600 -27.5525 -22.4129 18.8099 -21.0329 61.8748 -17.1811 20.0977 -16.7458 7.02169 TIMING: 3091600 CPU: 9212.05, 0.00299498/step Wall: 9212.05, 0.00299498/step, 1.58767 hours remaining, 207.484375 MB of memory in use. ENERGY: 3091600 715.1976 2089.4380 1908.8419 101.6503 -206248.2919 17639.9891 0.0000 0.0000 34337.0356 -149456.1395 299.8739 -183793.1750 -149362.8750 299.1524 -18.8395 13.2187 556634.1502 13.6969 13.7813 PRESSURE: 3091800 103.823 26.6779 -169.599 26.6781 142.685 -215.063 -169.6 -215.064 14.9933 GPRESSURE: 3091800 122.961 -6.19957 -142.833 -60.5758 196.012 -180.543 -190.473 -211.334 36.8042 PRESSAVG: 3091800 -29.2683 -3.93339 18.4986 -3.93331 -15.1875 -42.1186 18.4988 -42.1186 40.6106 GPRESSAVG: 3091800 -28.7278 -2.67701 18.0907 -5.54316 -16.2727 -39.9855 18.6186 -43.3456 41.5927 TIMING: 3091800 CPU: 9212.64, 0.00296353/step Wall: 9212.64, 0.00296353/step, 1.57084 hours remaining, 207.484375 MB of memory in use. ENERGY: 3091800 759.9222 2114.8523 1952.0134 103.9805 -205920.5602 17701.7671 0.0000 0.0000 33918.0957 -149369.9290 296.2152 -183288.0247 -149274.7591 298.8202 87.1672 118.5923 556616.4448 -1.2817 -1.1360 PRESSURE: 3092000 36.2981 57.0389 45.1541 57.0386 -166.844 31.2527 45.1553 31.253 149.332 GPRESSURE: 3092000 30.2858 59.8309 20.7412 71.3365 -91.959 35.8009 56.852 -48.2681 192.915 PRESSAVG: 3092000 -22.3327 -29.197 -39.2096 -29.197 -24.8744 -18.5758 -39.2096 -18.5759 18.023 GPRESSAVG: 3092000 -22.2693 -28.7533 -38.7699 -26.7729 -25.053 -21.9447 -41.2262 -19.2031 17.786 TIMING: 3092000 CPU: 9213.23, 0.00296542/step Wall: 9213.23, 0.00296542/step, 1.57167 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3092000 745.4241 2123.4494 1935.1005 111.8831 -206569.1088 17934.7153 0.0000 0.0000 34315.2341 -149403.3022 299.6835 -183718.5363 -149307.4452 299.0988 6.2623 43.7473 556322.5798 -9.7280 -9.8454 PRESSURE: 3092200 -119.528 -41.2849 -29.6626 -41.2833 -9.46819 93.7539 -29.6631 93.7548 37.4274 GPRESSURE: 3092200 -30.5744 -99.2557 7.9295 -25.9032 -3.58676 39.1566 -45.671 139.481 49.0572 PRESSAVG: 3092200 -17.7785 12.5719 -17.5332 12.572 31.0491 -24.2037 -17.5332 -24.2037 -0.0984796 GPRESSAVG: 3092200 -18.2496 11.872 -17.7587 12.762 30.9357 -22.7123 -16.0893 -23.3905 0.695498 TIMING: 3092200 CPU: 9213.82, 0.00293912/step Wall: 9213.82, 0.00293912/step, 1.55757 hours remaining, 207.484375 MB of memory in use. ENERGY: 3092200 741.2576 2074.5417 1913.5492 105.9257 -205669.4787 17423.5699 0.0000 0.0000 34231.8550 -149178.7795 298.9553 -183410.6346 -149088.3608 299.0390 -30.5230 4.9653 556421.6322 4.3907 4.4605 LDB: ============= START OF LOAD BALANCING ============== 9217.36 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9217.36 LDB: =============== DONE WITH MIGRATION ================ 9217.37 LDB: ============= START OF LOAD BALANCING ============== 9217.66 LDB: Largest compute 4772 load 0.024016 is 20.3% of average load 0.118171 LDB: Average compute 0.001744 is 1.5% of average load 0.118171 LDB: TIME 9217.67 LOAD: AVG 0.118171 MAX 0.196792 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 9217.67 LOAD: AVG 0.118171 MAX 0.196792 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.738 MB LDB: TIME 9217.67 LOAD: AVG 0.118171 MAX 0.196792 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9217.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9217.67 PRESSURE: 3092400 15.0482 -4.92974 -30.983 -4.92925 40.8703 105.213 -30.9819 105.213 103.25 GPRESSURE: 3092400 37.0548 -19.8329 -173.762 -44.616 106.959 80.953 5.52687 126.517 122.746 PRESSAVG: 3092400 7.89886 2.24096 -58.1182 2.24093 10.1364 39.9784 -58.1182 39.9785 6.75405 GPRESSAVG: 3092400 9.12899 2.33145 -57.678 4.16068 10.3692 41.5305 -56.3992 38.4796 5.6377 TIMING: 3092400 CPU: 9214.42, 0.00300921/step Wall: 9214.42, 0.00300921/step, 1.59454 hours remaining, 208.527344 MB of memory in use. ENERGY: 3092400 733.5319 2098.8256 1920.9780 112.5651 -206366.7930 17815.4208 0.0000 0.0000 34311.1897 -149374.2819 299.6482 -183685.4716 -149275.2073 298.8954 53.0561 88.9199 556778.3482 8.2631 8.3786 PRESSURE: 3092600 48.3309 65.3331 -166.766 65.3326 -208.943 23.0749 -166.765 23.0758 -167.629 GPRESSURE: 3092600 109.49 64.634 -138.459 94.3544 -178.787 17.8985 -193.226 43.644 -154.124 PRESSAVG: 3092600 -18.996 1.06285 -49.9454 1.06287 -23.5064 -23.9566 -49.9454 -23.9566 24.8544 GPRESSAVG: 3092600 -18.98 0.473605 -51.4959 -1.69266 -23.2245 -27.0474 -52.0882 -21.3018 24.5123 TIMING: 3092600 CPU: 9215.01, 0.00296035/step Wall: 9215.01, 0.00296035/step, 1.56849 hours remaining, 208.730469 MB of memory in use. ENERGY: 3092600 786.9342 2148.4429 1913.0944 109.5564 -206334.0660 17753.0299 0.0000 0.0000 34338.5251 -149284.4831 299.8869 -183623.0082 -149186.4866 298.6182 -109.4137 -74.4737 557568.5675 -5.8827 -5.8974 PRESSURE: 3092800 17.7409 -56.36 -8.96143 -56.358 54.4307 64.8663 -8.95982 64.8658 203.963 GPRESSURE: 3092800 56.012 -155.587 -18.7338 -73.5716 79.9936 70.0113 -1.1953 56.5573 226.243 PRESSAVG: 3092800 14.2652 31.2395 -54.4269 31.2395 -3.78173 7.31753 -54.4269 7.31766 7.72464 GPRESSAVG: 3092800 13.3134 30.4573 -53.9054 33.6857 -3.15809 9.11223 -53.0742 5.73564 8.20068 TIMING: 3092800 CPU: 9215.61, 0.00296352/step Wall: 9215.61, 0.00296351/step, 1.57 hours remaining, 208.730469 MB of memory in use. ENERGY: 3092800 725.8595 2093.6013 1939.3768 122.6699 -206412.4477 17981.3029 0.0000 0.0000 34261.0072 -149288.6301 299.2099 -183549.6373 -149186.7478 299.0617 92.0448 120.7495 557984.5232 6.0694 6.1187 PRESSURE: 3093000 -39.8606 74.2455 62.3402 74.2445 -49.7625 6.376 62.3406 6.37672 97.7442 GPRESSURE: 3093000 -59.1023 12.8145 16.2831 53.3238 -25.6865 4.86614 95.959 6.71626 189.012 PRESSAVG: 3093000 29.7552 16.8758 39.8176 16.8758 42.3401 22.5814 39.8176 22.5813 -48.0962 GPRESSAVG: 3093000 30.7035 16.9905 39.157 16.64 40.7849 22.9461 40.0657 23.6535 -47.8788 TIMING: 3093000 CPU: 9216.2, 0.00297062/step Wall: 9216.2, 0.00297062/step, 1.57361 hours remaining, 208.730469 MB of memory in use. ENERGY: 3093000 752.0522 2060.6293 1913.0418 125.0245 -205928.7464 17744.7736 0.0000 0.0000 34078.7001 -149254.5250 297.6178 -183333.2250 -149160.6948 298.7794 2.7070 34.7410 557490.9178 7.9997 7.8699 PRESSURE: 3093200 -191.915 36.4405 -12.995 36.4398 -73.1005 69.7521 -12.9945 69.7529 18.1244 GPRESSURE: 3093200 -215.771 46.1666 -76.5816 15.2294 -6.61742 115.193 -71.2685 92.9116 80.1009 PRESSAVG: 3093200 64.0324 -34.5472 47.2574 -34.5473 25.5529 -1.09244 47.2575 -1.09236 -64.3195 GPRESSAVG: 3093200 63.7569 -31.6334 48.8892 -37.1093 26.671 -2.02253 44.6508 -0.0672039 -64.5863 TIMING: 3093200 CPU: 9216.8, 0.00298883/step Wall: 9216.8, 0.00298883/step, 1.58308 hours remaining, 208.730469 MB of memory in use. ENERGY: 3093200 761.8619 2105.0695 1946.7724 108.8329 -206008.6259 17663.9270 0.0000 0.0000 34253.7708 -149168.3915 299.1467 -183422.1622 -149080.5708 299.0845 -82.2970 -47.4290 556871.2983 8.4219 8.6139 PRESSURE: 3093400 191.713 -32.6085 -66.8863 -32.608 130.142 164.53 -66.886 164.529 3.39409 GPRESSURE: 3093400 233.392 -71.9333 -57.8424 -6.98064 138.504 93.4069 -43.2336 87.9041 51.6207 PRESSAVG: 3093400 33.6739 30.3023 -26.9464 30.3023 56.9686 16.8593 -26.9464 16.8592 -87.6949 GPRESSAVG: 3093400 33.8275 29.8147 -27.5209 30.6538 56.8442 18.4164 -27.0231 17.3931 -87.9716 TIMING: 3093400 CPU: 9217.39, 0.00298272/step Wall: 9217.39, 0.00298272/step, 1.57968 hours remaining, 208.730469 MB of memory in use. ENERGY: 3093400 774.6095 2122.2509 1913.1834 108.9473 -206413.8658 17955.8660 0.0000 0.0000 34460.0431 -149078.9657 300.9481 -183539.0088 -148991.4615 299.8232 108.4164 141.1722 556009.1508 0.9825 0.9000 PRESSURE: 3093600 -140.48 56.9622 -111.756 56.9624 -32.9189 -2.50398 -111.758 -2.50269 -25.9692 GPRESSURE: 3093600 -71.627 19.4892 -135.75 68.2464 -66.6662 47.0397 -135.818 -87.4628 42.5261 PRESSAVG: 3093600 -22.425 44.1478 1.24413 44.1478 19.1945 -34.9539 1.24414 -34.9538 -41.0696 GPRESSAVG: 3093600 -21.8125 43.0237 1.12985 43.7878 18.7486 -35.703 2.29614 -34.3413 -41.2352 TIMING: 3093600 CPU: 9217.98, 0.00294382/step Wall: 9217.98, 0.00294382/step, 1.55892 hours remaining, 208.730469 MB of memory in use. ENERGY: 3093600 786.0605 2112.2799 1959.3677 129.2807 -206120.2718 17680.1154 0.0000 0.0000 34301.9484 -149151.2192 299.5674 -183453.1676 -149050.2927 299.9178 -66.4559 -31.9223 557301.1208 -14.7667 -14.7663 PRESSURE: 3093800 -132.689 -108.468 -106.456 -108.469 150.721 172.946 -106.457 172.947 5.01971 GPRESSURE: 3093800 -102.679 -181.064 -64.486 -153.72 207.376 126.161 -88.7753 128.325 24.7739 PRESSAVG: 3093800 -12.4886 1.19846 -18.8247 1.1984 41.706 7.9272 -18.8246 7.92721 6.37951 GPRESSAVG: 3093800 -12.9456 0.768977 -18.5633 2.34443 41.1207 9.97203 -19.5058 5.9898 7.78559 TIMING: 3093800 CPU: 9218.57, 0.0029301/step Wall: 9218.57, 0.0029301/step, 1.55149 hours remaining, 208.730469 MB of memory in use. ENERGY: 3093800 794.1010 2135.8634 1915.3998 105.1400 -206742.4640 18125.7523 0.0000 0.0000 34443.8968 -149222.3107 300.8071 -183666.2075 -149129.6623 299.9114 7.6839 43.1570 558179.3229 11.8656 11.9869 PRESSURE: 3094000 10.6206 111.255 72.1941 111.255 75.3212 -22.8128 72.193 -22.8126 -223.137 GPRESSURE: 3094000 18.477 46.9875 76.9674 198.924 159.241 26.153 -86.2791 41.5727 -205.185 PRESSAVG: 3094000 -21.2772 -20.4061 -0.92319 -20.4061 17.8767 53.0397 -0.923171 53.0397 7.35447 GPRESSAVG: 3094000 -21.086 -20.5116 -1.16588 -18.176 19.3105 50.1389 -0.941497 56.0096 5.51442 TIMING: 3094000 CPU: 9219.16, 0.00294489/step Wall: 9219.16, 0.00294489/step, 1.55915 hours remaining, 208.730469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3094000 758.7984 2105.3366 1911.4358 116.5196 -206286.4480 17868.3803 0.0000 0.0000 34205.1805 -149320.7968 298.7223 -183525.9772 -149224.3884 299.0569 -45.7316 -9.1556 559065.6149 1.3180 1.2463 PRESSURE: 3094200 6.02813 12.0655 -9.34846 12.0655 170.592 148.692 -9.34832 148.692 -54.1153 GPRESSURE: 3094200 47.302 93.5758 -39.1352 -54.1588 201.685 160.875 56.1884 245.135 -32.7789 PRESSAVG: 3094200 -51.3874 -16.5347 -8.05449 -16.5347 53.2428 38.8576 -8.05453 38.8577 10.8307 GPRESSAVG: 3094200 -50.5514 -14.8164 -8.7224 -17.974 53.4327 37.1325 -7.89517 37.8747 10.0782 TIMING: 3094200 CPU: 9219.75, 0.00295324/step Wall: 9219.75, 0.00295324/step, 1.56341 hours remaining, 208.730469 MB of memory in use. ENERGY: 3094200 788.2543 2093.7910 1918.2692 108.8764 -206325.4925 17760.1988 0.0000 0.0000 34242.3256 -149413.7772 299.0467 -183656.1028 -149317.6152 299.1123 40.8350 72.0695 557717.7668 4.2287 4.3198 PRESSURE: 3094400 -399.548 193.464 -48.5252 193.463 -39.1895 -84.6235 -48.5247 -84.6249 -41.9322 GPRESSURE: 3094400 -339.375 201.612 6.68063 184.061 0.0487749 -37.7449 -62.8993 -45.7753 -41.0169 PRESSAVG: 3094400 -41.1016 -0.734058 -7.74857 -0.734092 49.9607 -29.2222 -7.74875 -29.2221 -6.23342 GPRESSAVG: 3094400 -40.8505 -1.698 -6.94582 -0.709019 48.4496 -27.5091 -7.83383 -29.6235 -4.6342 TIMING: 3094400 CPU: 9220.34, 0.00295202/step Wall: 9220.34, 0.00295202/step, 1.5626 hours remaining, 208.730469 MB of memory in use. ENERGY: 3094400 769.4839 2096.8611 1958.4424 118.5511 -206538.7758 17837.7257 0.0000 0.0000 34433.5046 -149324.2070 300.7164 -183757.7116 -149225.5372 299.7881 -160.2232 -126.7811 558261.1791 0.8752 0.9883 PRESSURE: 3094600 -58.0632 71.0732 -91.1062 71.0726 -136.622 -55.3561 -91.1057 -55.3559 -78.3531 GPRESSURE: 3094600 37.4643 99.4546 -118.968 -27.195 -111.679 -62.2655 48.7561 -94.6996 -83.7504 PRESSAVG: 3094600 -6.80472 4.2278 -31.8637 4.22782 35.2772 -11.3053 -31.8636 -11.3052 -4.96488 GPRESSAVG: 3094600 -6.37007 4.67538 -33.632 2.57913 36.9555 -12.1501 -32.5482 -12.3649 -6.45159 TIMING: 3094600 CPU: 9220.93, 0.0029553/step Wall: 9220.93, 0.0029553/step, 1.56417 hours remaining, 208.730469 MB of memory in use. ENERGY: 3094600 738.0896 2128.8521 1931.8061 108.5527 -206631.5008 17921.0333 0.0000 0.0000 34308.2525 -149494.9145 299.6225 -183803.1670 -149394.5048 299.4090 -91.0128 -52.6550 558685.8674 7.8359 8.0446 PRESSURE: 3094800 8.57158 -167.941 -109.634 -167.942 31.516 24.3499 -109.635 24.3494 5.09166 GPRESSURE: 3094800 68.5661 -230.207 -52.6874 -127.635 11.9585 -43.5151 -80.1257 63.0572 57.7527 PRESSAVG: 3094800 18.6184 19.3818 9.08853 19.3818 18.2835 8.55089 9.08858 8.55091 -12.0899 GPRESSAVG: 3094800 17.3755 17.2335 12.1032 21.8248 18.8297 10.6323 9.3674 8.91528 -11.8224 TIMING: 3094800 CPU: 9221.52, 0.00296765/step Wall: 9221.52, 0.00296764/step, 1.57054 hours remaining, 208.730469 MB of memory in use. ENERGY: 3094800 755.4426 2123.2769 1928.0931 128.4832 -206256.0333 17811.3525 0.0000 0.0000 34097.5525 -149411.8325 297.7824 -183509.3850 -149311.2076 299.0641 15.0597 46.0924 557179.9003 8.2707 8.1276 PRESSURE: 3095000 -10.0856 18.0658 122.844 18.0666 -240.914 -125.18 122.845 -125.178 94.9592 GPRESSURE: 3095000 -17.7097 31.7112 126.114 4.72256 -140.297 -147.487 51.7479 -150.905 91.1182 PRESSAVG: 3095000 -37.3513 -15.7264 -30.2295 -15.7263 4.02254 -4.24176 -30.2295 -4.24179 43.8378 GPRESSAVG: 3095000 -37.8034 -15.2928 -32.9791 -15.8688 2.84561 -5.99955 -29.2084 -4.02378 45.2386 TIMING: 3095000 CPU: 9222.11, 0.0029413/step Wall: 9222.11, 0.0029413/step, 1.55644 hours remaining, 208.730469 MB of memory in use. ENERGY: 3095000 720.0879 2121.6848 1902.6118 118.6933 -206247.4707 17621.2255 0.0000 0.0000 34281.3535 -149481.8139 299.3876 -183763.1674 -149378.3454 298.4082 -52.0133 -22.2963 557530.4692 3.5030 3.4269 PRESSURE: 3095200 -103.977 -160.472 13.2332 -160.473 213.037 -34.167 13.231 -34.1667 167.42 GPRESSURE: 3095200 -84.5741 -175.55 -89.4075 -149.095 227.412 -9.58803 2.22745 -62.1463 225.511 PRESSAVG: 3095200 -33.2808 -8.19847 5.6318 -8.19855 -16.0715 -25.9238 5.63183 -25.9238 33.9133 GPRESSAVG: 3095200 -31.9585 -6.22315 6.4597 -7.98045 -15.8296 -24.095 5.09421 -26.1677 32.702 TIMING: 3095200 CPU: 9222.7, 0.00292224/step Wall: 9222.7, 0.00292224/step, 1.54619 hours remaining, 208.730469 MB of memory in use. ENERGY: 3095200 749.0053 2134.5928 1945.9459 114.9702 -206598.2359 18027.4065 0.0000 0.0000 34313.1434 -149313.1717 299.6652 -183626.3151 -149219.6071 298.7658 92.1602 122.7831 558038.1398 -5.1463 -5.0287 PRESSURE: 3095400 -29.9712 -14.956 109.144 -14.9559 -284.085 -32.6675 109.143 -32.667 11.5065 GPRESSURE: 3095400 20.0009 24.4571 78.9102 -47.8726 -189.587 21.9451 79.9407 31.5926 -28.271 PRESSAVG: 3095400 27.6242 10.2207 10.0978 10.2207 -2.30832 -41.0213 10.0979 -41.0213 0.86159 GPRESSAVG: 3095400 27.5992 8.43862 11.7655 10.5564 -2.11793 -40.8423 8.69366 -43.3021 1.0392 TIMING: 3095400 CPU: 9223.29, 0.00294869/step Wall: 9223.29, 0.00294869/step, 1.56002 hours remaining, 208.730469 MB of memory in use. ENERGY: 3095400 724.7164 2128.7742 1919.6842 107.4710 -206179.1325 17696.5871 0.0000 0.0000 34376.1798 -149225.7198 300.2157 -183601.8997 -149117.7354 299.0628 -100.8499 -65.9524 556780.9827 8.7258 8.8401 PRESSURE: 3095600 -21.353 -101.681 -158.724 -101.679 21.1535 -104.158 -158.724 -104.159 -346.041 GPRESSURE: 3095600 -45.1689 -86.6141 -218.817 -148.896 118.533 22.866 -31.9182 -174.684 -333.461 PRESSAVG: 3095600 -15.6885 -9.53768 19.4441 -9.5376 35.4517 74.3785 19.4442 74.3785 -39.5512 GPRESSAVG: 3095600 -16.6904 -8.96576 18.8451 -9.73818 36.3094 73.8646 20.0824 76.9026 -39.6795 TIMING: 3095600 CPU: 9223.87, 0.00294267/step Wall: 9223.87, 0.00294267/step, 1.55667 hours remaining, 208.730469 MB of memory in use. ENERGY: 3095600 743.9596 2154.2865 1959.1153 108.1684 -206220.9365 17696.1156 0.0000 0.0000 34640.0886 -148919.2026 302.5205 -183559.2912 -148823.6170 299.7631 -115.4135 -86.6989 557131.1128 -6.5960 -6.6868 PRESSURE: 3095800 186.052 60.1153 39.6133 60.1147 159.442 -50.7015 39.6135 -50.7022 -181.942 GPRESSURE: 3095800 233.519 -13.0736 43.1735 95.0432 198.813 -70.4878 16.8873 -19.8683 -167.072 PRESSAVG: 3095800 50.1409 5.1471 11.3436 5.14711 -13.1584 12.3576 11.3436 12.3575 -30.7921 GPRESSAVG: 3095800 50.0031 6.2234 11.9267 2.30734 -13.1772 11.1434 10.2111 13.935 -30.488 TIMING: 3095800 CPU: 9224.46, 0.0029456/step Wall: 9224.46, 0.00294561/step, 1.55806 hours remaining, 208.964844 MB of memory in use. ENERGY: 3095800 697.4762 2131.2179 1918.7061 108.7232 -206036.1547 17819.9727 0.0000 0.0000 34188.5410 -149171.5175 298.5770 -183360.0585 -149076.3858 299.6806 54.5172 88.4198 557644.3663 2.0635 2.1126 PRESSURE: 3096000 -110.123 44.1465 -198.767 44.1442 32.1479 -14.6245 -198.766 -14.6244 -111.268 GPRESSURE: 3096000 -86.9279 46.2422 -234.383 -1.28396 88.4581 10.9227 -53.0783 -1.36041 -93.4233 PRESSAVG: 3096000 56.742 25.7724 -28.8097 25.7724 -33.9353 -62.2912 -28.8096 -62.2913 -33.9366 GPRESSAVG: 3096000 56.1738 24.4978 -29.4171 27.2319 -34.0932 -60.9201 -26.9164 -63.5185 -33.5627 TIMING: 3096000 CPU: 9225.05, 0.00295089/step Wall: 9225.05, 0.00295089/step, 1.56069 hours remaining, 208.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3096000 730.3728 2134.0055 1915.9722 109.7165 -206257.1831 17748.4777 0.0000 0.0000 34414.7755 -149203.8630 300.5528 -183618.6385 -149111.7055 299.4805 -63.0808 -30.6310 558423.3169 -3.7100 -3.8274 PRESSURE: 3096200 57.7146 118.046 92.4914 118.047 -198.314 -25.5795 92.4927 -25.5805 -75.8166 GPRESSURE: 3096200 94.3741 41.0243 116.886 126.369 -210.438 -47.0604 96.4624 34.3311 -3.32209 PRESSAVG: 3096200 27.8947 -0.121906 -23.8118 -0.121905 -0.541012 5.75286 -23.8119 5.7528 25.0895 GPRESSAVG: 3096200 28.7431 -1.6241 -23.328 2.62937 -1.87691 4.42043 -24.4245 5.99828 24.8853 TIMING: 3096200 CPU: 9225.65, 0.0029684/step Wall: 9225.65, 0.0029684/step, 1.56979 hours remaining, 208.964844 MB of memory in use. ENERGY: 3096200 768.7550 2045.2094 1940.9427 106.7203 -206320.3281 17872.8277 0.0000 0.0000 34331.1636 -149254.7094 299.8226 -183585.8730 -149151.3745 298.9974 -72.1386 -39.7952 559661.7636 17.4810 17.2505 LDB: ============= START OF LOAD BALANCING ============== 9229.19 LDB: ============== END OF LOAD BALANCING =============== 9229.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9229.19 LDB: ============= START OF LOAD BALANCING ============== 9229.49 LDB: Largest compute 4773 load 0.024202 is 20.5% of average load 0.118254 LDB: Average compute 0.001739 is 1.5% of average load 0.118254 LDB: TIME 9229.49 LOAD: AVG 0.118254 MAX 0.196914 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.781 MB LDB: TIME 9229.49 LOAD: AVG 0.118254 MAX 0.196914 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.781 MB LDB: TIME 9229.49 LOAD: AVG 0.118254 MAX 0.196914 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.781 MB LDB: ============== END OF LOAD BALANCING =============== 9229.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9229.5 PRESSURE: 3096400 -54.8005 -66.9571 -8.58625 -66.9574 -89.1482 0.656217 -8.5862 0.655518 -223.807 GPRESSURE: 3096400 -39.8375 -80.672 -66.6153 -7.48198 -25.7991 21.5374 33.8054 -28.2547 -187.54 PRESSAVG: 3096400 71.2735 -9.74362 54.4079 -9.74358 -46.0552 -12.7045 54.408 -12.7044 -18.2069 GPRESSAVG: 3096400 71.3381 -8.53979 53.8116 -12.2043 -45.3253 -11.9679 53.8745 -11.3369 -18.9804 TIMING: 3096400 CPU: 9226.25, 0.00299727/step Wall: 9226.25, 0.00299727/step, 1.58489 hours remaining, 206.019531 MB of memory in use. ENERGY: 3096400 751.6721 2081.6822 1937.4214 103.3250 -206262.0112 17725.6698 0.0000 0.0000 34348.9592 -149313.2815 299.9780 -183662.2407 -149217.3156 298.9853 -122.5854 -84.3921 560042.8834 2.3372 2.3442 PRESSURE: 3096600 8.6466 -29.8382 85.818 -29.8393 -146.12 -81.2631 85.8173 -81.2639 -244.324 GPRESSURE: 3096600 68.9136 -77.7033 107.999 -13.9512 -132.33 -147.073 78.811 17.273 -210.483 PRESSAVG: 3096600 49.2108 19.4367 33.0172 19.4366 42.3609 -57.4113 33.0173 -57.4114 -75.5287 GPRESSAVG: 3096600 48.777 20.2224 32.89 19.6835 41.9229 -57.291 31.9792 -58.5441 -74.5979 TIMING: 3096600 CPU: 9226.84, 0.00295956/step Wall: 9226.84, 0.00295956/step, 1.56478 hours remaining, 206.019531 MB of memory in use. ENERGY: 3096600 747.5214 2066.7947 1934.9220 101.0854 -206223.1475 17786.9387 0.0000 0.0000 34196.1687 -149389.7166 298.6436 -183585.8853 -149295.8949 299.7830 -127.2659 -91.2999 558584.8202 5.3477 5.3673 PRESSURE: 3096800 154.935 -19.9028 63.5276 -19.9021 175.841 -236.423 63.5273 -236.422 154.805 GPRESSURE: 3096800 182.316 1.35014 78.0676 30.3911 246.309 -138.49 42.1466 -168.204 155.215 PRESSAVG: 3096800 42.0766 -30.86 -2.58263 -30.8601 13.0405 -69.8749 -2.58254 -69.8749 -63.5719 GPRESSAVG: 3096800 42.2534 -28.7571 -2.10271 -31.9151 12.9881 -71.754 -0.888419 -69.0415 -64.2516 TIMING: 3096800 CPU: 9227.43, 0.00295829/step Wall: 9227.43, 0.00295829/step, 1.56395 hours remaining, 206.019531 MB of memory in use. ENERGY: 3096800 685.7657 2076.8137 1965.9441 111.1386 -206505.3312 17914.9257 0.0000 0.0000 34103.2573 -149647.4861 297.8322 -183750.7434 -149542.0507 298.0945 161.8603 194.6132 556813.9167 -2.8182 -3.0034 PRESSURE: 3097000 199.649 64.0064 121.362 64.0061 -354.588 -141.058 121.363 -141.058 -214.774 GPRESSURE: 3097000 199.275 101.006 181.655 7.19728 -319.082 -77.3009 101.333 -109.583 -151.199 PRESSAVG: 3097000 68.2078 65.6436 17.9565 65.6437 -37.4811 -62.8607 17.9564 -62.8606 -33.8925 GPRESSAVG: 3097000 68.931 63.6969 16.6169 65.9871 -37.6584 -59.6186 18.6827 -63.6005 -34.2835 TIMING: 3097000 CPU: 9228.02, 0.00295217/step Wall: 9228.02, 0.00295217/step, 1.56055 hours remaining, 206.019531 MB of memory in use. ENERGY: 3097000 729.4144 2072.1517 1948.2334 103.9302 -205969.6199 17509.7772 0.0000 0.0000 34056.8005 -149549.3124 297.4265 -183606.1129 -149451.5284 298.1022 -123.2373 -90.3353 556161.0011 -1.0553 -1.0037 PRESSURE: 3097200 11.0809 3.61579 14.9428 3.61658 23.441 54.9908 14.9411 54.9912 34.9296 GPRESSURE: 3097200 42.1871 3.58436 -0.0374575 -15.9911 40.4275 65.9512 30.0611 40.4821 76.5782 PRESSAVG: 3097200 35.793 13.4453 1.45343 13.4453 -59.9382 -24.6185 1.45339 -24.6188 14.4874 GPRESSAVG: 3097200 35.3156 13.7312 1.77931 13.7974 -59.1185 -25.5992 2.49822 -25.0834 14.4213 TIMING: 3097200 CPU: 9228.61, 0.00292545/step Wall: 9228.61, 0.00292545/step, 1.54626 hours remaining, 206.019531 MB of memory in use. ENERGY: 3097200 762.8132 2064.3330 1940.0700 103.0738 -206598.1520 17855.3500 0.0000 0.0000 34314.7845 -149557.7275 299.6795 -183872.5120 -149459.7714 298.6912 23.1505 53.0643 554352.6653 -3.2192 -3.1272 PRESSURE: 3097400 35.2161 54.2452 164.646 54.2456 -196.622 -69.0572 164.647 -69.0576 -286.122 GPRESSURE: 3097400 60.6302 97.6215 52.2935 35.9181 -132.832 -26.5063 263.745 -98.8055 -278.643 PRESSAVG: 3097400 66.4714 -14.1488 44.9017 -14.1489 -8.00038 -15.4812 44.9017 -15.4812 -28.916 GPRESSAVG: 3097400 66.9531 -14.9354 43.8062 -12.0633 -8.16174 -15.0996 44.3992 -13.2962 -28.7023 TIMING: 3097400 CPU: 9229.2, 0.00294467/step Wall: 9229.2, 0.00294467/step, 1.55626 hours remaining, 206.019531 MB of memory in use. ENERGY: 3097400 775.5261 1983.6901 1945.8151 118.5109 -206067.0400 17530.6193 0.0000 0.0000 34187.6090 -149525.2695 298.5689 -183712.8786 -149429.5250 299.1132 -149.1759 -116.9485 556411.3632 9.8517 10.0297 PRESSURE: 3097600 -70.0684 -108.052 -11.1393 -108.053 -126.683 -223.142 -11.1387 -223.142 -229.272 GPRESSURE: 3097600 -45.4202 -84.8134 49.4758 -200.521 -131.701 -233.167 -68.1174 -233.091 -167.56 PRESSAVG: 3097600 -14.8149 23.1555 25.8014 23.1555 -35.6797 14.2167 25.8013 14.2167 57.365 GPRESSAVG: 3097600 -15.6478 22.1191 26.6634 21.8161 -35.4574 13.7712 24.3865 14.1015 57.6978 TIMING: 3097600 CPU: 9229.79, 0.00294847/step Wall: 9229.79, 0.00294847/step, 1.5581 hours remaining, 206.019531 MB of memory in use. ENERGY: 3097600 731.8099 2113.2202 1945.2558 110.0738 -206044.9749 17578.4324 0.0000 0.0000 34168.9491 -149397.2337 298.4059 -183566.1828 -149310.4700 297.8714 -142.0080 -114.8938 558136.1387 2.2901 2.1975 PRESSURE: 3097800 217.785 188.704 74.4732 188.703 -64.5365 92.9835 74.4724 92.9831 -99.0167 GPRESSURE: 3097800 256.243 153.313 120.543 179.747 -40.7438 165.622 46.5737 45.4793 -72.2689 PRESSAVG: 3097800 69.1983 6.70226 33.7164 6.70226 -11.682 -49.2662 33.7164 -49.2662 -38.4009 GPRESSAVG: 3097800 70.4762 7.2941 34.3243 7.9925 -11.9516 -49.5527 34.6895 -50.1283 -39.4824 TIMING: 3097800 CPU: 9230.37, 0.00294159/step Wall: 9230.37, 0.00294159/step, 1.55431 hours remaining, 206.019531 MB of memory in use. ENERGY: 3097800 770.0861 2138.6055 1913.9553 109.4594 -206260.2227 17748.2767 0.0000 0.0000 34069.4812 -149510.3585 297.5373 -183579.8397 -149418.2345 298.4186 18.0772 47.7433 556701.2387 6.3718 6.3474 PRESSURE: 3098000 -145.33 184.399 -28.8207 184.399 -38.585 -19.9914 -28.8209 -19.9919 -201.363 GPRESSURE: 3098000 -118.375 113.28 4.01536 240.124 -11.5294 -39.7856 -22.3447 -23.1897 -152.67 PRESSAVG: 3098000 49.6508 61.2434 -1.70803 61.2435 23.595 -21.4803 -1.70795 -21.4803 -51.529 GPRESSAVG: 3098000 48.5043 61.5172 -0.561533 60.1377 23.9604 -21.5432 -1.64943 -22.5517 -51.005 TIMING: 3098000 CPU: 9230.96, 0.00294106/step Wall: 9230.96, 0.00294106/step, 1.55386 hours remaining, 206.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3098000 724.2719 2051.8280 1978.5402 112.6766 -206142.7042 17616.7761 0.0000 0.0000 34240.5342 -149418.0774 299.0311 -183658.6115 -149318.1846 298.0053 -128.4263 -94.1914 557677.5094 7.2389 7.1532 PRESSURE: 3098200 207.727 38.0306 -1.69581 38.0295 161.052 -111.559 -1.69544 -111.558 -3.31596 GPRESSURE: 3098200 249.03 80.8067 29.5945 -97.092 201.591 -89.8475 1.19471 -108.198 4.43854 PRESSAVG: 3098200 42.6501 19.0749 -59.9507 19.0749 -13.5456 -33.9159 -59.9507 -33.9159 -3.07966 GPRESSAVG: 3098200 42.4609 20.5957 -60.733 18.2434 -14.4528 -31.9966 -61.0828 -34.8351 -2.16445 TIMING: 3098200 CPU: 9231.56, 0.00297322/step Wall: 9231.56, 0.00297322/step, 1.57069 hours remaining, 206.054688 MB of memory in use. ENERGY: 3098200 739.9465 2055.7741 1956.2656 118.2931 -206774.2191 18133.5932 0.0000 0.0000 34118.5968 -149651.7499 297.9662 -183770.3467 -149557.3534 298.8387 121.8210 151.6868 556273.3825 8.6750 8.6146 PRESSURE: 3098400 -192.839 -35.1393 -114.969 -35.1406 -151.755 73.1753 -114.969 73.1749 31.6727 GPRESSURE: 3098400 -171.726 -51.6515 -53.243 -1.51535 -128.172 -24.7627 -183.721 125.462 92.1331 PRESSAVG: 3098400 18.9572 19.677 3.37563 19.6769 -28.9832 12.5656 3.37573 12.5657 29.3843 GPRESSAVG: 3098400 19.6208 16.7402 3.72803 20.8405 -29.8965 8.5417 4.19011 14.0878 28.4997 TIMING: 3098400 CPU: 9232.15, 0.00294486/step Wall: 9232.15, 0.00294486/step, 1.55554 hours remaining, 206.054688 MB of memory in use. ENERGY: 3098400 734.8267 2086.8728 1927.8428 122.1821 -206346.3153 17625.8081 0.0000 0.0000 34191.1957 -149657.5871 298.6002 -183848.7829 -149563.0441 298.1640 -104.3072 -69.2549 556250.4667 6.4528 6.0747 PRESSURE: 3098600 60.9237 2.59401 -63.2048 2.59367 31.9851 -113.801 -63.2057 -113.799 -242.246 GPRESSURE: 3098600 62.2804 77.7202 -155.124 13.4391 36.9923 -137.931 -0.55611 -75.0512 -153.382 PRESSAVG: 3098600 -27.8832 21.1125 -38.0956 21.1125 7.51089 2.55766 -38.0956 2.55774 67.0281 GPRESSAVG: 3098600 -27.9702 22.5361 -41.0142 22.0088 7.05862 4.30467 -39.1608 3.14437 67.1063 TIMING: 3098600 CPU: 9232.73, 0.00292739/step Wall: 9232.73, 0.00292739/step, 1.54615 hours remaining, 206.054688 MB of memory in use. ENERGY: 3098600 729.7994 2049.6694 1919.0891 101.2350 -206253.3116 17695.1929 0.0000 0.0000 34162.4555 -149595.8702 298.3492 -183758.3258 -149496.4108 298.1978 -49.7791 -18.0363 557292.5776 15.5519 15.3983 PRESSURE: 3098800 35.7061 136.356 -4.94617 136.356 -289.637 15.7008 -4.94727 15.7003 -40.6379 GPRESSURE: 3098800 49.0483 73.2958 14.5005 179.404 -233.348 -57.3936 -45.2314 31.5586 -2.38836 PRESSAVG: 3098800 3.16674 11.5694 -44.2596 11.5695 2.46198 4.32977 -44.2596 4.32966 31.8724 GPRESSAVG: 3098800 3.57137 10.1436 -42.1219 11.555 3.66791 3.43224 -43.0336 5.44314 30.2244 TIMING: 3098800 CPU: 9233.32, 0.00293037/step Wall: 9233.32, 0.00293037/step, 1.54756 hours remaining, 206.054688 MB of memory in use. ENERGY: 3098800 758.0100 2064.9412 1961.1609 125.3325 -206184.3205 17681.1485 0.0000 0.0000 34071.6346 -149522.0930 297.5561 -183593.7276 -149423.3343 298.0079 -98.1895 -62.2293 555528.9271 12.5004 12.4879 PRESSURE: 3099000 367.797 -77.9 -155.437 -77.9006 -54.4512 27.8993 -155.436 27.8993 354.754 GPRESSURE: 3099000 351.736 -69.9234 -214.705 -102.803 41.6933 23.9684 -91.4292 91.4329 364.552 PRESSAVG: 3099000 3.07916 -21.4854 -34.1215 -21.4854 22.8783 11.2579 -34.1216 11.2579 -6.30352 GPRESSAVG: 3099000 3.27411 -21.4677 -34.0901 -22.2444 22.0621 13.4134 -34.0621 10.0715 -5.72407 TIMING: 3099000 CPU: 9233.91, 0.00294397/step Wall: 9233.91, 0.00294397/step, 1.55458 hours remaining, 206.054688 MB of memory in use. ENERGY: 3099000 699.2338 2110.6750 1917.1421 103.5657 -206713.7946 17992.0590 0.0000 0.0000 34336.5489 -149554.5702 299.8696 -183891.1191 -149463.3060 298.2974 222.6999 252.6605 554980.7763 6.5513 6.5374 PRESSURE: 3099200 97.2044 35.1344 -111.238 35.134 -172.2 -37.842 -111.238 -37.843 -18.2826 GPRESSURE: 3099200 112.842 57.721 -119.942 -63.3015 -88.6766 -41.7149 -35.8987 -63.4022 -6.97894 PRESSAVG: 3099200 17.8356 8.38163 -16.9275 8.38155 -37.068 -6.19393 -16.9275 -6.19377 -40.7523 GPRESSAVG: 3099200 18.003 8.68235 -17.1369 8.01151 -36.9562 -8.38406 -15.5735 -6.34167 -40.7235 TIMING: 3099200 CPU: 9234.5, 0.0029586/step Wall: 9234.5, 0.0029586/step, 1.56214 hours remaining, 206.054688 MB of memory in use. ENERGY: 3099200 732.8995 2072.7627 1940.1999 117.7203 -206152.6135 17547.1390 0.0000 0.0000 34130.4353 -149611.4568 298.0696 -183741.8921 -149519.2776 298.0645 -31.0929 5.7287 555644.3674 -19.9949 -19.8922 PRESSURE: 3099400 63.1523 -87.1479 -122.063 -87.1478 -152.101 128.273 -122.063 128.274 81.4799 GPRESSURE: 3099400 80.3159 -37.2263 -143.889 -58.9116 -140.677 48.6291 -212.329 158.675 160.295 PRESSAVG: 3099400 38.0173 -22.6427 -99.7189 -22.6427 22.1804 -50.3241 -99.7188 -50.3241 -60.3985 GPRESSAVG: 3099400 38.2775 -21.7177 -98.1232 -22.6902 21.7419 -50.3309 -100.909 -50.1147 -60.4151 TIMING: 3099400 CPU: 9235.09, 0.00295019/step Wall: 9235.09, 0.00295019/step, 1.55754 hours remaining, 206.054688 MB of memory in use. ENERGY: 3099400 737.2194 2130.2627 1976.1270 105.2337 -206248.8085 17781.0794 0.0000 0.0000 34014.3333 -149504.5530 297.0556 -183518.8864 -149403.7342 298.3541 -2.4896 33.3111 555961.0595 -0.0669 -0.1319 PRESSURE: 3099600 -193.888 108.84 -85.3982 108.841 -30.5401 -43.1133 -85.398 -43.1133 -111.619 GPRESSURE: 3099600 -108.136 71.5577 -46.6554 90.9942 -18.6985 -105.965 -166.526 -9.07956 -116.137 PRESSAVG: 3099600 94.8641 51.0433 -48.9563 51.0433 -53.5088 -4.40678 -48.9563 -4.40686 -30.6775 GPRESSAVG: 3099600 93.7435 49.2225 -48.5022 52.8179 -53.5525 -4.93184 -50.5583 -2.99283 -29.8641 TIMING: 3099600 CPU: 9235.68, 0.00296859/step Wall: 9235.68, 0.00296859/step, 1.56708 hours remaining, 206.054688 MB of memory in use. ENERGY: 3099600 759.0508 2102.8813 1969.2847 110.7597 -206112.3544 17761.9842 0.0000 0.0000 33967.4484 -149440.9452 296.6462 -183408.3937 -149343.8615 298.4388 -112.0155 -80.9907 557287.4407 3.5593 3.4423 PRESSURE: 3099800 106.88 -152.551 -76.4966 -152.552 -166.208 101.917 -76.4965 101.916 2.93554 GPRESSURE: 3099800 123.213 -131.557 -104.277 -100.566 -162.633 67.1425 -54.8113 155.197 83.9417 PRESSAVG: 3099800 10.9065 -49.7493 -17.4989 -49.7493 -22.1395 28.554 -17.4988 28.554 4.50277 GPRESSAVG: 3099800 11.6829 -50.8537 -18.6471 -49.5959 -21.5499 30.2259 -17.8217 26.1325 3.38022 TIMING: 3099800 CPU: 9236.27, 0.00296173/step Wall: 9236.27, 0.00296173/step, 1.5633 hours remaining, 206.054688 MB of memory in use. ENERGY: 3099800 739.1634 2094.9292 1973.8222 114.1409 -206453.8559 17952.8717 0.0000 0.0000 34101.3763 -149477.5521 297.8158 -183578.9285 -149377.2845 298.2272 -18.7975 14.8405 558862.8900 -2.2434 -2.1623 PRESSURE: 3100000 33.5365 -37.2342 16.7086 -37.2343 105.274 -1.48829 16.7091 -1.48842 -132.366 GPRESSURE: 3100000 113.679 -23.29 -15.4279 -63.2957 130.66 -54.067 22.6576 16.3812 -141.103 PRESSAVG: 3100000 33.9315 35.5141 -34.563 35.5141 -24.9954 10.2666 -34.563 10.2666 22.1405 GPRESSAVG: 3100000 33.4871 35.7753 -35.8246 34.2994 -24.9662 9.57233 -31.0326 9.98809 22.6795 TIMING: 3100000 CPU: 9236.86, 0.00295251/step Wall: 9236.86, 0.00295251/step, 1.55827 hours remaining, 206.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3100000 767.1770 2080.5914 1933.0054 111.4797 -206569.0211 17920.6218 0.0000 0.0000 34131.4844 -149624.6613 298.0787 -183756.1457 -149524.0455 298.1579 2.1482 34.4119 556406.3263 10.3589 10.4001 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3100000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 3100000 WRITING COORDINATES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3100200 -168.908 59.9762 -126.83 59.9754 -83.7128 69.3022 -126.83 69.3009 -330.701 GPRESSURE: 3100200 -117.67 2.86353 -70.3842 93.5433 -108.5 86.3139 -177.892 60.6077 -261.541 PRESSAVG: 3100200 22.8459 -29.9455 -39.7055 -29.9455 -18.2892 0.0669995 -39.7056 0.0669375 -1.22628 GPRESSAVG: 3100200 23.9917 -26.8349 -38.9986 -30.438 -18.1613 -0.297829 -41.6236 0.384256 -2.15066 TIMING: 3100200 CPU: 9237.49, 0.00315281/step Wall: 9237.49, 0.00315281/step, 1.66381 hours remaining, 206.054688 MB of memory in use. ENERGY: 3100200 771.4710 2031.6748 1952.9407 108.3339 -206274.7112 17589.2035 0.0000 0.0000 34209.5823 -149611.5049 298.7608 -183821.0872 -149520.1902 297.5653 -194.4406 -162.5706 557004.0830 1.1101 1.2266 LDB: ============= START OF LOAD BALANCING ============== 9241.04 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9241.04 LDB: =============== DONE WITH MIGRATION ================ 9241.04 LDB: ============= START OF LOAD BALANCING ============== 9241.34 LDB: Largest compute 4772 load 0.024166 is 20.4% of average load 0.118177 LDB: Average compute 0.001735 is 1.5% of average load 0.118177 LDB: TIME 9241.34 LOAD: AVG 0.118177 MAX 0.197362 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.078 MB LDB: TIME 9241.34 LOAD: AVG 0.118177 MAX 0.197362 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.078 MB LDB: TIME 9241.34 LOAD: AVG 0.118177 MAX 0.197362 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9241.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9241.35 PRESSURE: 3100400 -42.6049 263.902 -191.011 263.901 117.145 54.3365 -191.011 54.3362 -318.893 GPRESSURE: 3100400 -29.8492 213.498 -174.429 234.885 122.248 41.4341 -154.932 106.458 -261.638 PRESSAVG: 3100400 -19.6866 45.808 -15.655 45.808 43.5901 3.2768 -15.6551 3.27663 -3.75068 GPRESSAVG: 3100400 -20.503 43.0576 -17.2662 45.2897 43.3262 3.21576 -15.7378 3.62459 -2.73557 TIMING: 3100400 CPU: 9238.1, 0.00302212/step Wall: 9238.1, 0.00302212/step, 1.59467 hours remaining, 206.531250 MB of memory in use. ENERGY: 3100400 761.7981 2119.7474 1932.8016 121.1250 -206576.2574 17823.0107 0.0000 0.0000 34294.2996 -149523.4750 299.5006 -183817.7746 -149419.9535 298.7742 -81.4510 -56.4133 557454.6153 6.7176 6.6959 PRESSURE: 3100600 -138.448 -195.265 58.2614 -195.266 97.7881 -85.7691 58.2607 -85.7693 -313.239 GPRESSURE: 3100600 -112.784 -257.566 -4.42876 -184.998 127.976 29.1336 -85.048 -115.265 -275.003 PRESSAVG: 3100600 -7.13809 21.2605 17.3944 21.2604 105.809 -21.1459 17.3942 -21.146 -78.774 GPRESSAVG: 3100600 -7.92829 23.3865 18.1375 21.5838 106.219 -22.3715 17.752 -20.5443 -77.8323 TIMING: 3100600 CPU: 9238.69, 0.00295539/step Wall: 9238.69, 0.00295539/step, 1.5593 hours remaining, 206.531250 MB of memory in use. ENERGY: 3100600 766.1415 2062.0139 1942.2416 110.1680 -206479.8227 17762.9758 0.0000 0.0000 34212.4738 -149623.8081 298.7860 -183836.2819 -149520.8037 298.6325 -117.9663 -86.6036 556530.9741 6.6324 6.8196 PRESSURE: 3100800 106.372 -60.6659 131.729 -60.6653 288.776 -48.4812 131.729 -48.4809 -159.684 GPRESSURE: 3100800 150.304 -108.173 146.56 -66.6189 258.162 -23.6112 91.3557 -66.8313 -66.0639 PRESSAVG: 3100800 8.35166 -27.4357 -28.1739 -27.4357 56.6601 -83.2201 -28.1739 -83.22 -82.8016 GPRESSAVG: 3100800 9.1997 -28.2193 -29.3863 -26.78 56.7083 -81.4438 -28.573 -82.971 -82.8177 TIMING: 3100800 CPU: 9239.28, 0.00294785/step Wall: 9239.28, 0.00294785/step, 1.55515 hours remaining, 206.765625 MB of memory in use. ENERGY: 3100800 773.9440 2052.9995 1927.6245 124.9640 -206623.7688 18056.9994 0.0000 0.0000 34114.5142 -149572.7231 297.9305 -183687.2373 -149476.9312 298.4236 78.4881 114.1339 555169.2663 -5.9299 -5.6366 PRESSURE: 3101000 -97.5547 -103.315 -135.453 -103.315 -95.8582 118.289 -135.453 118.289 -134.021 GPRESSURE: 3101000 -56.1033 -89.1095 -239.536 -191.751 -61.7149 38.416 -56.3874 194.391 -119.491 PRESSAVG: 3101000 -24.1864 -25.2164 11.2351 -25.2164 29.1836 -28.8057 11.2352 -28.8057 9.28618 GPRESSAVG: 3101000 -24.479 -24.2505 13.6808 -24.7615 29.8174 -30.4682 12.0371 -29.6951 10.1478 TIMING: 3101000 CPU: 9239.86, 0.00291926/step Wall: 9239.86, 0.00291926/step, 1.53991 hours remaining, 206.765625 MB of memory in use. ENERGY: 3101000 744.7908 2127.4436 1923.6229 117.6500 -206367.9385 17728.6766 0.0000 0.0000 34278.1255 -149447.6290 299.3594 -183725.7545 -149350.7826 299.2012 -109.1447 -79.1029 556834.4062 4.7611 5.1621 PRESSURE: 3101200 420.524 90.1948 10.5385 90.1968 210.651 16.9466 10.5375 16.9457 112.058 GPRESSURE: 3101200 461.843 86.311 52.8996 70.6563 245.028 60.5697 -3.41485 18.4387 134.85 PRESSAVG: 3101200 2.88188 12.0672 10.6747 12.0672 3.34661 -19.873 10.6746 -19.8728 -2.61914 GPRESSAVG: 3101200 3.29028 10.6155 9.85653 12.2601 3.62273 -18.4516 10.1211 -18.1202 -3.4964 TIMING: 3101200 CPU: 9240.45, 0.0029458/step Wall: 9240.45, 0.0029458/step, 1.55375 hours remaining, 206.765625 MB of memory in use. ENERGY: 3101200 715.3230 2136.9418 1924.7415 106.9440 -206746.7094 18063.7056 0.0000 0.0000 34525.0209 -149274.0325 301.5156 -183799.0534 -149173.9576 299.8149 247.7444 280.5738 555556.2076 1.2031 1.1389 PRESSURE: 3101400 -19.5219 -47.0775 -165.456 -47.0773 416.056 165.567 -165.455 165.566 159.873 GPRESSURE: 3101400 22.7195 1.50165 -198.56 4.98061 493.419 129.824 -204.613 270.354 143.348 PRESSAVG: 3101400 -15.3469 16.75 -31.892 16.7501 81.3657 60.2936 -31.892 60.2936 0.208732 GPRESSAVG: 3101400 -15.2406 17.6378 -31.9792 17.1194 80.2881 59.3068 -30.9637 61.2326 0.906498 TIMING: 3101400 CPU: 9241.04, 0.00294254/step Wall: 9241.04, 0.00294254/step, 1.55186 hours remaining, 206.765625 MB of memory in use. ENERGY: 3101400 735.7220 2132.0923 1935.4774 122.2974 -206411.4928 17968.7328 0.0000 0.0000 34394.9445 -149122.2264 300.3796 -183517.1708 -149028.5593 299.6347 185.4693 219.8290 556720.5860 22.0758 21.9847 PRESSURE: 3101600 -115.872 99.1751 251.62 99.1757 -8.22175 112.47 251.622 112.469 -49.6472 GPRESSURE: 3101600 -57.6281 175.496 264.204 31.4644 -18.9788 153.226 355.167 123.948 10.8981 PRESSAVG: 3101600 45.4285 37.5531 -13.4886 37.5531 -6.59989 66.1816 -13.4886 66.1816 -65.7749 GPRESSAVG: 3101600 45.6192 37.6813 -14.1904 35.1247 -6.00482 67.5863 -13.1965 63.7806 -66.314 TIMING: 3101600 CPU: 9241.64, 0.0029757/step Wall: 9241.64, 0.0029757/step, 1.56919 hours remaining, 206.765625 MB of memory in use. ENERGY: 3101600 719.5402 2145.0055 1943.1640 121.1077 -206179.7960 17659.8114 0.0000 0.0000 34314.7617 -149276.4056 299.6793 -183591.1673 -149179.7854 299.9562 -57.9137 -21.9029 557183.8104 -8.9821 -8.8999 PRESSURE: 3101800 -364.02 -131.705 61.6263 -131.706 171.909 40.1789 61.6257 40.1787 -101.282 GPRESSURE: 3101800 -233.704 -78.9407 47.5603 -104.901 164.708 57.3683 90.7192 -21.1265 -113.375 PRESSAVG: 3101800 -47.7441 35.0251 6.71478 35.0251 54.5957 39.7385 6.71477 39.7385 -29.911 GPRESSAVG: 3101800 -47.9958 36.7819 5.77332 36.4956 54.0086 40.8894 6.69219 39.1331 -29.1424 TIMING: 3101800 CPU: 9242.23, 0.00294455/step Wall: 9242.23, 0.00294455/step, 1.55259 hours remaining, 206.765625 MB of memory in use. ENERGY: 3101800 712.9953 2117.0642 1923.0770 119.6732 -206015.0915 17630.2378 0.0000 0.0000 34287.2251 -149224.8189 299.4389 -183512.0440 -149130.3159 298.9727 -97.7976 -60.7903 557310.4854 -7.6865 -7.7099 PRESSURE: 3102000 175.538 162.204 -49.6949 162.204 -174.026 -83.3443 -49.6951 -83.3447 -219.469 GPRESSURE: 3102000 169.307 99.0156 -56.7032 144.115 -139.896 -86.5075 -45.8757 -60.5663 -150.989 PRESSAVG: 3102000 -58.7311 -38.4525 -5.80999 -38.4526 53.7451 -1.54605 -5.81005 -1.54608 -24.2172 GPRESSAVG: 3102000 -58.3541 -40.7029 -4.59001 -37.565 54.426 -1.49861 -6.87411 0.286246 -24.9799 TIMING: 3102000 CPU: 9242.82, 0.00297721/step Wall: 9242.82, 0.00297721/step, 1.56965 hours remaining, 206.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3102000 736.6228 2034.0933 1939.8462 102.0062 -206063.5793 17720.2673 0.0000 0.0000 34324.1876 -149206.5559 299.7617 -183530.7435 -149116.0083 298.9006 -72.6526 -40.5261 558824.3355 -9.7344 -9.6360 PRESSURE: 3102200 194.14 -48.3421 43.8621 -48.3423 -75.7537 84.7624 43.8617 84.7607 -302.634 GPRESSURE: 3102200 264.879 -143.861 45.358 -22.9809 -52.9253 52.7432 67.7166 97.68 -285.144 PRESSAVG: 3102200 71.8853 29.1672 31.2395 29.1673 9.79332 -13.2421 31.2394 -13.2419 -56.4236 GPRESSAVG: 3102200 72.4769 27.6465 29.6562 30.6506 9.26048 -15.7174 31.4733 -14.0893 -57.0229 TIMING: 3102200 CPU: 9243.41, 0.00294368/step Wall: 9243.41, 0.00294369/step, 1.55181 hours remaining, 206.765625 MB of memory in use. ENERGY: 3102200 762.5473 2083.3527 1969.9585 121.2262 -206434.5819 17908.0355 0.0000 0.0000 34306.3127 -149283.1489 299.6056 -183589.4616 -149186.1372 299.4291 -61.4158 -24.3967 558468.0215 8.4183 8.2382 PRESSURE: 3102400 268.052 118.359 3.92545 118.358 -336.168 73.2459 3.92474 73.2463 202.988 GPRESSURE: 3102400 266.014 55.2051 -12.638 144.299 -286.054 12.5471 -5.31238 123.73 250.424 PRESSAVG: 3102400 51.6498 -1.57475 -15.4963 -1.57485 -47.4295 5.53156 -15.4963 5.53153 18.3412 GPRESSAVG: 3102400 49.8211 1.43368 -12.6168 -4.22142 -47.0028 6.37746 -16.7907 4.25502 19.496 TIMING: 3102400 CPU: 9244, 0.00294329/step Wall: 9244, 0.00294329/step, 1.55144 hours remaining, 206.765625 MB of memory in use. ENERGY: 3102400 726.2084 2116.3839 1937.3502 112.6377 -206203.7336 17816.7866 0.0000 0.0000 34061.3593 -149433.0075 297.4663 -183494.3668 -149337.7942 299.5863 44.9573 76.7946 557148.4362 7.5205 7.4381 PRESSURE: 3102600 -42.2404 148.044 -0.294679 148.044 -87.7648 105.483 -0.294575 105.484 -185.976 GPRESSURE: 3102600 -23.0512 92.2444 -17.7997 133.111 -26.6689 -0.191351 -39.4561 156.251 -165.01 PRESSAVG: 3102600 3.20845 -10.5913 -2.61136 -10.5913 -60.1731 -25.2037 -2.61138 -25.2038 26.7998 GPRESSAVG: 3102600 3.45095 -9.90836 -4.02226 -11.4272 -59.2467 -24.8673 -1.98006 -23.5605 25.8606 TIMING: 3102600 CPU: 9244.59, 0.00295583/step Wall: 9244.59, 0.00295583/step, 1.55789 hours remaining, 206.765625 MB of memory in use. ENERGY: 3102600 776.5149 2062.2690 1926.6897 104.0215 -206221.4418 17723.2926 0.0000 0.0000 34085.4986 -149543.1556 297.6771 -183628.6542 -149449.6925 299.5250 -105.3269 -71.5768 556828.1721 -10.0550 -9.9784 PRESSURE: 3102800 16.4877 210.641 26.6766 210.642 -137.613 -40.0408 26.6759 -40.0391 133.478 GPRESSURE: 3102800 69.5534 206.231 28.6903 185.797 -132.487 -43.0405 33.5616 -17.0792 181.242 PRESSAVG: 3102800 -10.286 8.07413 -36.1785 8.07408 -43.0835 -15.6404 -36.1785 -15.6404 60.6293 GPRESSAVG: 3102800 -9.96806 4.66459 -37.5161 10.5682 -44.6506 -12.1343 -35.1438 -16.4419 62.1463 TIMING: 3102800 CPU: 9245.18, 0.00294227/step Wall: 9245.18, 0.00294226/step, 1.55057 hours remaining, 206.765625 MB of memory in use. ENERGY: 3102800 754.3353 2108.4675 1926.9991 111.4310 -206497.5384 17886.2152 0.0000 0.0000 34137.8340 -149572.2563 298.1342 -183710.0903 -149473.1281 298.8432 4.1177 39.4363 556834.8543 2.4199 2.5092 PRESSURE: 3103000 75.495 198.819 -90.3207 198.82 -164.761 -85.2603 -90.3203 -85.2599 205.525 GPRESSURE: 3103000 155.594 215.173 -129.431 77.0451 -166.067 -122.818 -54.4533 -103.472 229.477 PRESSAVG: 3103000 46.0289 8.86949 20.7738 8.8695 -75.9855 -43.6039 20.7738 -43.604 34.1603 GPRESSAVG: 3103000 45.9883 11.1639 19.2446 8.04794 -74.99 -47.1869 21.4463 -42.4678 32.8468 TIMING: 3103000 CPU: 9245.77, 0.00297662/step Wall: 9245.77, 0.00297662/step, 1.56851 hours remaining, 206.765625 MB of memory in use. ENERGY: 3103000 711.5515 2144.5641 1931.8940 119.9196 -206506.6835 17906.5521 0.0000 0.0000 34077.0961 -149615.1061 297.6038 -183692.2022 -149514.9612 298.3786 38.7529 73.0015 557574.4564 1.4012 1.2817 PRESSURE: 3103200 138.187 90.6248 6.23302 90.6252 286.754 56.4495 6.2329 56.4497 81.1916 GPRESSURE: 3103200 219.23 107.452 57.3557 59.2166 288.317 37.3707 -64.06 94.6312 96.5979 PRESSAVG: 3103200 26.8747 23.6643 7.75906 23.6644 -16.7445 59.4125 7.75903 59.4125 -40.9867 GPRESSAVG: 3103200 27.3469 23.2477 12.4728 23.5918 -17.2472 58.5823 6.24402 59.2852 -40.8197 TIMING: 3103200 CPU: 9246.37, 0.00297685/step Wall: 9246.37, 0.00297685/step, 1.56847 hours remaining, 206.765625 MB of memory in use. ENERGY: 3103200 768.4529 2093.6262 1968.7907 121.0588 -207110.8821 18240.9604 0.0000 0.0000 34279.3793 -149638.6138 299.3703 -183917.9931 -149542.8877 298.1656 168.7107 201.3818 555456.5226 -10.2855 -10.2400 PRESSURE: 3103400 -156.709 53.0218 -84.8582 53.0217 58.9056 82.1311 -84.8586 82.1307 -168.833 GPRESSURE: 3103400 -109.993 49.2866 -51.1358 70.5615 84.2169 106.739 -174.406 50.4639 -124.87 PRESSAVG: 3103400 20.8102 -6.71845 39.9725 -6.71847 6.88822 13.7012 39.9727 13.7012 -61.8957 GPRESSAVG: 3103400 20.9383 -4.56445 36.1605 -5.72456 7.04844 12.3901 41.4481 15.337 -61.7246 TIMING: 3103400 CPU: 9246.96, 0.00294717/step Wall: 9246.96, 0.00294717/step, 1.55267 hours remaining, 206.765625 MB of memory in use. ENERGY: 3103400 750.6929 2113.4677 1950.0314 111.9192 -206281.1995 17879.9731 0.0000 0.0000 34107.7552 -149367.3600 297.8715 -183475.1152 -149265.3331 299.0495 -88.8786 -50.2155 557794.1354 -11.3991 -11.2459 PRESSURE: 3103600 55.8578 167.146 35.7795 167.144 85.7074 47.524 35.7795 47.5258 141.541 GPRESSURE: 3103600 87.2909 190.384 13.3388 127.205 115.048 27.2198 58.4867 103.74 189.291 PRESSAVG: 3103600 -15.377 24.9873 -0.334633 24.9874 23.2656 -63.048 -0.334612 -63.048 8.64911 GPRESSAVG: 3103600 -15.0111 22.3236 -1.20096 22.3169 23.8248 -58.9762 -0.97385 -65.2733 7.84901 TIMING: 3103600 CPU: 9247.55, 0.00295458/step Wall: 9247.55, 0.00295458/step, 1.5564 hours remaining, 206.765625 MB of memory in use. ENERGY: 3103600 728.3112 2116.9837 1948.0958 116.6567 -206793.0150 17971.6404 0.0000 0.0000 34272.3918 -149638.9353 299.3093 -183911.3271 -149536.6707 299.0857 94.3689 130.5432 555973.7803 5.5126 5.5542 PRESSURE: 3103800 -117.071 -54.8345 -62.6558 -54.8343 -341.676 58.0489 -62.6546 58.0479 200.085 GPRESSURE: 3103800 -65.0631 -90.0512 -20.8724 39.2312 -309.848 -36.1048 -30.5053 136.225 213.149 PRESSAVG: 3103800 -7.10162 -66.1398 37.053 -66.1397 1.50373 -27.2587 37.0531 -27.2586 22.2418 GPRESSAVG: 3103800 -7.09864 -63.9913 38.7348 -66.1826 -0.756361 -28.9406 37.5828 -27.0497 24.6648 TIMING: 3103800 CPU: 9248.15, 0.00298575/step Wall: 9248.15, 0.00298575/step, 1.57266 hours remaining, 206.765625 MB of memory in use. ENERGY: 3103800 741.9735 2093.4584 1914.4907 113.4955 -206040.2380 17728.2803 0.0000 0.0000 33911.2311 -149537.3085 296.1552 -183448.5396 -149446.0663 297.8758 -86.2207 -53.9207 558100.0048 5.5480 5.6033 PRESSURE: 3104000 324.744 100.811 -7.43573 100.811 177.567 -122.965 -7.4352 -122.965 -89.2839 GPRESSURE: 3104000 331.803 103.877 55.7823 87.4729 239.168 -94.7055 48.7923 -169.131 -59.3123 PRESSAVG: 3104000 27.9573 -13.6346 48.0309 -13.6346 -52.8444 -2.94701 48.031 -2.94712 10.5184 GPRESSAVG: 3104000 27.3104 -15.0142 46.221 -13.0888 -50.5549 -2.32371 47.9482 -2.93991 9.44017 TIMING: 3104000 CPU: 9248.74, 0.00298587/step Wall: 9248.74, 0.00298587/step, 1.57256 hours remaining, 206.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3104000 739.7879 2121.1817 1929.1003 113.8907 -207030.5503 18190.1921 0.0000 0.0000 34329.1435 -149607.2542 299.8049 -183936.3977 -149510.9244 299.0926 137.6757 170.5531 556216.5541 -4.7896 -4.6015 PRESSURE: 3104200 -123.798 41.2664 -80.3215 41.265 -175.206 18.9473 -80.3216 18.9467 -87.2048 GPRESSURE: 3104200 -137.271 149.264 -128.656 10.5474 -51.9673 -20.3826 -54.0759 15.5487 -96.1574 PRESSAVG: 3104200 18.377 80.2773 -0.951693 80.2773 -4.63263 10.2342 -0.951793 10.2342 21.9896 GPRESSAVG: 3104200 18.9814 80.3374 0.326761 81.2527 -5.79501 9.50918 0.115988 11.1004 23.3534 TIMING: 3104200 CPU: 9249.33, 0.00294931/step Wall: 9249.33, 0.00294931/step, 1.55314 hours remaining, 206.765625 MB of memory in use. ENERGY: 3104200 734.6532 2084.0880 1914.7591 111.2104 -206217.9974 17752.3236 0.0000 0.0000 34115.5382 -149505.4249 297.9395 -183620.9631 -149407.8597 298.7538 -128.7362 -95.1318 557834.9231 11.9113 12.1799 LDB: ============= START OF LOAD BALANCING ============== 9252.88 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9252.88 LDB: =============== DONE WITH MIGRATION ================ 9252.88 LDB: ============= START OF LOAD BALANCING ============== 9253.18 LDB: Largest compute 4772 load 0.024174 is 20.4% of average load 0.118292 LDB: Average compute 0.001744 is 1.5% of average load 0.118292 LDB: TIME 9253.18 LOAD: AVG 0.118292 MAX 0.198947 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.078 MB LDB: TIME 9253.18 LOAD: AVG 0.118292 MAX 0.198947 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.078 MB LDB: TIME 9253.18 LOAD: AVG 0.118292 MAX 0.198947 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.078 MB LDB: ============== END OF LOAD BALANCING =============== 9253.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9253.19 PRESSURE: 3104400 -173.418 -32.5643 -238.109 -32.5644 -149.508 -137.316 -238.108 -137.315 -3.0519 GPRESSURE: 3104400 -100.02 -128.277 -228.84 25.9967 -164.26 -119.069 -158.851 -155.211 41.9798 PRESSAVG: 3104400 -32.2843 19.7541 -42.4917 19.7541 -29.8693 -51.4819 -42.4914 -51.4818 14.415 GPRESSAVG: 3104400 -30.7075 20.5143 -41.2608 18.7205 -29.9939 -50.8399 -44.3553 -52.9014 13.7822 TIMING: 3104400 CPU: 9249.94, 0.00301865/step Wall: 9249.94, 0.00301865/step, 1.58948 hours remaining, 206.019531 MB of memory in use. ENERGY: 3104400 767.6264 2087.9422 1916.9299 101.4647 -206516.7947 17794.1893 0.0000 0.0000 34260.4654 -149588.1768 299.2052 -183848.6422 -149483.3624 299.0115 -108.6594 -74.1002 556224.9907 -15.9129 -15.6398 PRESSURE: 3104600 54.2474 87.143 -91.9428 87.1423 -5.34252 -12.7114 -91.9426 -12.7111 34.2124 GPRESSURE: 3104600 91.6079 90.9825 -10.2032 79.6246 24.1052 -14.317 35.6082 -48.1078 59.2755 PRESSAVG: 3104600 -6.14063 12.2498 41.9196 12.2497 -12.6126 0.454781 41.9196 0.454722 5.7205 GPRESSAVG: 3104600 -7.02669 9.18872 41.5302 14.7939 -10.6423 -0.201862 42.9883 2.70794 4.68403 TIMING: 3104600 CPU: 9250.53, 0.00296071/step Wall: 9250.53, 0.00296071/step, 1.55881 hours remaining, 206.019531 MB of memory in use. ENERGY: 3104600 720.7229 2111.2375 1942.9044 116.7051 -206762.9816 17885.6367 0.0000 0.0000 34495.8586 -149489.9164 301.2609 -183985.7750 -149389.2296 299.0566 27.7057 58.3295 556652.6777 -4.3442 -4.3283 PRESSURE: 3104800 -127.047 49.4643 -2.45929 49.4639 -34.1485 28.0865 -2.45976 28.0855 -260.767 GPRESSURE: 3104800 -29.112 14.7397 -130.449 93.3778 -14.8195 22.1736 43.3136 -60.5247 -277.439 PRESSAVG: 3104800 -38.0623 1.40969 -30.0456 1.40965 45.2486 -64.8555 -30.0456 -64.8556 -21.6247 GPRESSAVG: 3104800 -36.8394 4.11985 -30.4931 0.839674 43.502 -64.1856 -31.8644 -65.4459 -20.9133 TIMING: 3104800 CPU: 9251.12, 0.00293305/step Wall: 9251.12, 0.00293305/step, 1.54409 hours remaining, 206.019531 MB of memory in use. ENERGY: 3104800 707.0823 2041.2818 1984.9707 118.1022 -206164.9046 17610.1081 0.0000 0.0000 34046.3774 -149656.9820 297.3355 -183703.3594 -149560.5129 298.6595 -140.6541 -107.1236 556200.3132 -4.8128 -4.7502 PRESSURE: 3105000 74.1122 11.4205 30.3096 11.4208 -182.452 -117.562 30.3102 -117.562 -205.719 GPRESSURE: 3105000 58.1059 -22.1165 47.3865 -6.94649 -66.1599 -211.285 81.0368 -118.127 -211.037 PRESSAVG: 3105000 -28.7067 -6.35839 -1.18797 -6.3585 -2.22818 -19.8686 -1.18799 -19.8687 26.2239 GPRESSAVG: 3105000 -29.3542 -6.4373 0.674006 -6.96741 -2.16041 -19.2545 0.719256 -19.9377 26.3415 TIMING: 3105000 CPU: 9251.7, 0.00293767/step Wall: 9251.7, 0.00293767/step, 1.54636 hours remaining, 206.019531 MB of memory in use. ENERGY: 3105000 733.2289 2119.9562 1907.5056 101.1604 -206518.1935 17680.7134 0.0000 0.0000 34396.6631 -149578.9660 300.3946 -183975.6290 -149479.2240 298.6018 -104.6863 -73.0303 556091.7865 -1.5704 -1.7244 PRESSURE: 3105200 86.2891 141.532 6.44029 141.534 172.928 86.1496 6.44004 86.149 126.561 GPRESSURE: 3105200 99.9736 109.346 -19.4581 201.361 216.025 66.2619 47.552 94.2354 179.5 PRESSAVG: 3105200 -58.2757 -40.1086 -15.5682 -40.1086 -8.86783 -24.3418 -15.5682 -24.3418 5.29607 GPRESSAVG: 3105200 -59.0568 -39.1743 -16.1802 -41.1948 -8.4736 -25.9966 -18.7754 -25.8382 5.4438 TIMING: 3105200 CPU: 9252.29, 0.00293579/step Wall: 9252.29, 0.00293579/step, 1.5452 hours remaining, 206.019531 MB of memory in use. ENERGY: 3105200 721.6153 2079.3841 1924.6677 113.0076 -206705.0833 18024.6814 0.0000 0.0000 34220.1606 -149621.5665 298.8532 -183841.7271 -149525.2853 297.9917 128.5927 165.1662 556067.5801 -20.6158 -20.6955 PRESSURE: 3105400 81.1569 53.0977 14.7513 53.0979 -12.9383 58.9308 14.7524 58.9316 -13.1457 GPRESSURE: 3105400 129.346 59.2884 6.72204 20.7528 41.3511 47.4399 78.9431 69.2068 -21.597 PRESSAVG: 3105400 28.0375 26.8616 -22.913 26.8616 59.2703 31.157 -22.9129 31.157 -30.681 GPRESSAVG: 3105400 29.3847 28.0627 -23.7074 26.9038 59.1521 30.9668 -19.6297 32.5243 -31.8691 TIMING: 3105400 CPU: 9252.88, 0.00296325/step Wall: 9252.88, 0.00296325/step, 1.55949 hours remaining, 206.019531 MB of memory in use. ENERGY: 3105400 714.5787 2103.1115 1938.4869 92.7125 -206857.0377 18034.7895 0.0000 0.0000 34125.6800 -149847.6787 298.0281 -183973.3587 -149748.8066 297.2180 18.3576 49.7001 557929.9211 18.8756 18.8892 PRESSURE: 3105600 43.8284 132.588 -85.3049 132.588 20.5084 7.63031 -85.3053 7.63133 37.5238 GPRESSURE: 3105600 47.1517 59.6452 -14.3507 153.606 38.1615 64.3362 -125.131 -109.742 107.862 PRESSAVG: 3105600 5.45344 16.0127 51.9407 16.0127 16.8285 -14.0913 51.9407 -14.0913 -64.5028 GPRESSAVG: 3105600 3.96878 15.0803 51.6064 17.9752 17.2429 -12.4907 50.8096 -16.2046 -63.4743 TIMING: 3105600 CPU: 9253.48, 0.00297463/step Wall: 9253.48, 0.00297463/step, 1.56532 hours remaining, 206.019531 MB of memory in use. ENERGY: 3105600 721.2115 2095.1444 1934.2012 102.1412 -206654.5194 18037.6134 0.0000 0.0000 34077.5220 -149686.6859 297.6075 -183764.2078 -149587.0224 297.7353 33.9535 64.3917 557680.1012 -14.0736 -14.0875 PRESSURE: 3105800 170.4 -103.742 -139.792 -103.741 232.374 -58.9868 -139.791 -58.9867 -10.4114 GPRESSURE: 3105800 288.614 -7.71255 -194.383 -73.35 229.692 -32.1027 -137.611 -109.38 -27.0541 PRESSAVG: 3105800 -84.7792 -39.4241 42.6514 -39.4239 67.9619 -39.8917 42.6515 -39.8917 9.7265 GPRESSAVG: 3105800 -86.1469 -39.2624 43.9486 -39.0157 67.4433 -41.9163 42.2173 -37.4166 10.9798 TIMING: 3105800 CPU: 9254.07, 0.00294557/step Wall: 9254.07, 0.00294557/step, 1.54986 hours remaining, 206.019531 MB of memory in use. ENERGY: 3105800 754.6080 2077.6519 1925.7738 111.2551 -206650.2709 17988.0772 0.0000 0.0000 34196.6399 -149596.2650 298.6478 -183792.9049 -149496.7325 297.8152 130.7877 163.7507 556301.8565 -2.3636 -2.5746 PRESSURE: 3106000 94.0428 -77.6046 -83.6392 -77.6033 133.105 86.5453 -83.6387 86.5455 158.195 GPRESSURE: 3106000 139.35 -111.621 -73.6599 -131.749 94.3565 109.913 -118.046 95.65 240.566 PRESSAVG: 3106000 -19.0503 21.6653 -1.60371 21.6653 87.7568 -26.6505 -1.60373 -26.6504 -49.3375 GPRESSAVG: 3106000 -18.1963 22.1008 -0.516759 18.3622 87.7271 -26.2616 -0.374808 -26.1809 -50.5038 TIMING: 3106000 CPU: 9254.65, 0.00293166/step Wall: 9254.65, 0.00293166/step, 1.54238 hours remaining, 206.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3106000 729.3648 2109.6159 1935.5647 126.2151 -206387.3223 17953.6505 0.0000 0.0000 34017.4367 -149515.4745 297.0827 -183532.9113 -149423.5031 298.0825 128.4477 158.0908 556109.1782 6.4563 6.3423 PRESSURE: 3106200 -211.082 -72.4519 49.4835 -72.4525 -23.914 -35.9724 49.4832 -35.9729 -172.307 GPRESSURE: 3106200 -138.248 -34.4782 48.2057 -60.3492 -9.83772 -45.7325 70.3471 -82.6299 -160.123 PRESSAVG: 3106200 33.8005 -34.8656 14.9426 -34.8655 33.7561 -21.3067 14.9426 -21.3068 -30.8986 GPRESSAVG: 3106200 34.9939 -34.8118 14.1753 -33.1326 32.5762 -19.3491 13.1304 -23.4548 -30.9014 TIMING: 3106200 CPU: 9255.24, 0.00292366/step Wall: 9255.24, 0.00292366/step, 1.53801 hours remaining, 206.019531 MB of memory in use. ENERGY: 3106200 784.2962 2101.9116 1923.8272 116.2434 -206637.2335 18057.6581 0.0000 0.0000 34135.1744 -149518.1225 298.1110 -183653.2969 -149421.2942 298.3846 -135.7676 -102.7361 558280.2515 12.2193 12.2229 PRESSURE: 3106400 -245.211 -144.743 -106.006 -144.742 165.26 -91.3055 -106.007 -91.3039 204.811 GPRESSURE: 3106400 -177.406 -129.381 -72.6927 -145.455 195.896 -87.5182 -93.4031 -118.116 207.341 PRESSAVG: 3106400 -18.8184 -40.1049 12.2517 -40.105 54.5199 17.5885 12.2519 17.5885 -74.4604 GPRESSAVG: 3106400 -20.1802 -39.023 12.4574 -40.6029 54.7726 15.0618 13.0622 19.9354 -73.6125 TIMING: 3106400 CPU: 9255.82, 0.00292633/step Wall: 9255.82, 0.00292633/step, 1.53925 hours remaining, 206.019531 MB of memory in use. ENERGY: 3106400 754.8454 2096.6642 1926.6872 134.1367 -206630.7172 17897.8470 0.0000 0.0000 34357.4061 -149463.1306 300.0518 -183820.5367 -149368.2115 297.9284 41.6198 75.2769 555453.8733 -12.9197 -13.0067 PRESSURE: 3106600 -173.322 -85.1855 -215.423 -85.1861 152.77 1.50969 -215.422 1.51061 -227.051 GPRESSURE: 3106600 -109.193 -52.804 -200.036 -93.4033 171.413 -6.46876 -286.545 -19.1826 -198.512 PRESSAVG: 3106600 -58.4349 -19.7368 -40.633 -19.7369 34.7407 14.3704 -40.633 14.3704 67.6301 GPRESSAVG: 3106600 -57.2247 -21.7595 -41.0264 -17.6384 35.1001 15.9245 -39.9578 12.1112 66.1779 TIMING: 3106600 CPU: 9256.4, 0.00290299/step Wall: 9256.4, 0.00290299/step, 1.52681 hours remaining, 206.019531 MB of memory in use. ENERGY: 3106600 761.0846 2032.5902 1934.4477 98.4308 -206368.1770 17756.5767 0.0000 0.0000 34364.8605 -149420.1864 300.1169 -183785.0469 -149320.4687 298.7991 -82.5342 -45.4304 557244.8808 14.6453 14.6844 PRESSURE: 3106800 -137.314 -129.466 -185.8 -129.467 17.3212 -46.3522 -185.8 -46.3503 -64.9944 GPRESSURE: 3106800 -127.798 -88.67 -194.395 -101.638 111.36 -140.583 -131.092 -7.76509 -62.8958 PRESSAVG: 3106800 14.856 48.0042 2.38351 48.0042 -39.5611 35.2064 2.38345 35.2064 57.5282 GPRESSAVG: 3106800 15.093 48.5484 0.50856 46.0275 -39.9989 33.9593 1.44671 35.7409 57.6014 TIMING: 3106800 CPU: 9256.98, 0.00290255/step Wall: 9256.98, 0.00290255/step, 1.52642 hours remaining, 206.019531 MB of memory in use. ENERGY: 3106800 707.3289 2081.6510 1942.5919 103.6870 -206029.4876 17546.9173 0.0000 0.0000 34144.6668 -149502.6447 298.1939 -183647.3115 -149403.8586 298.5196 -61.6622 -26.4447 557102.0669 10.9410 10.8985 PRESSURE: 3107000 -78.528 -61.2971 -26.4551 -61.297 -29.4839 -117.918 -26.455 -117.918 6.13634 GPRESSURE: 3107000 -36.7336 14.8334 -46.7807 -66.6756 -14.3666 -100.217 -36.5108 -92.3165 36.3749 PRESSAVG: 3107000 31.0389 26.1088 -44.6352 26.1088 5.93083 22.7127 -44.6353 22.7127 -22.5166 GPRESSAVG: 3107000 29.6865 24.6073 -43.307 26.2243 7.01152 25.3311 -44.5322 23.6348 -22.8603 TIMING: 3107000 CPU: 9257.57, 0.00291385/step Wall: 9257.57, 0.00291385/step, 1.5322 hours remaining, 206.019531 MB of memory in use. ENERGY: 3107000 704.6222 2110.6289 1947.5394 105.2023 -205947.3385 17563.9307 0.0000 0.0000 33904.5059 -149610.9090 296.0965 -183515.4150 -149515.6907 298.0406 -33.9585 -4.9085 557064.6690 4.8177 4.6126 PRESSURE: 3107200 -102.182 -36.7526 78.2009 -36.7543 -338.653 -89.1439 78.2004 -89.1453 16.358 GPRESSURE: 3107200 -29.5018 -76.7344 176.557 -53.6119 -365.967 -135.274 -8.92971 -96.8675 60.5529 PRESSAVG: 3107200 -36.9082 -48.5383 29.2882 -48.5383 -30.3584 -33.2753 29.2882 -33.2754 17.8031 GPRESSAVG: 3107200 -35.5125 -46.3152 27.2912 -50.2589 -32.2591 -34.3238 31.3415 -33.8981 18.1948 TIMING: 3107200 CPU: 9258.15, 0.00292819/step Wall: 9258.15, 0.00292819/step, 1.53958 hours remaining, 206.019531 MB of memory in use. ENERGY: 3107200 749.3866 2084.2496 1947.2019 105.9177 -206099.1317 17623.2525 0.0000 0.0000 33928.6879 -149660.4354 296.3077 -183589.1233 -149570.1254 297.8629 -141.4923 -111.6386 557381.9614 -16.4878 -16.5256 PRESSURE: 3107400 152.811 -125.341 5.92345 -125.342 90.6455 -114.38 5.92482 -114.38 255.677 GPRESSURE: 3107400 177.472 -131.703 -8.50948 -94.0177 172.726 -177.966 61.1272 -105.063 261.318 PRESSAVG: 3107400 -45.0273 8.10828 -20.5542 8.10829 37.5816 0.787952 -20.5542 0.787923 17.0704 GPRESSAVG: 3107400 -44.8663 7.49765 -17.3577 10.7879 38.0925 1.74374 -23.067 -0.523134 16.935 TIMING: 3107400 CPU: 9258.74, 0.00296243/step Wall: 9258.74, 0.00296243/step, 1.55741 hours remaining, 206.019531 MB of memory in use. ENERGY: 3107400 754.9495 2061.7941 1931.9755 109.1704 -206580.4707 18018.9805 0.0000 0.0000 34167.3934 -149536.2073 298.3923 -183703.6007 -149442.7494 297.6440 166.3777 203.8384 556407.7914 3.2082 3.3870 PRESSURE: 3107600 -300.454 151.653 40.5374 151.654 -295.538 -35.0866 40.5366 -35.0873 108.138 GPRESSURE: 3107600 -264.043 82.4752 18.7571 198.433 -235.051 -44.2209 67.3881 -32.4949 108.507 PRESSAVG: 3107600 -17.2306 29.5079 39.9376 29.5078 41.3447 6.64755 39.9376 6.6475 17.9113 GPRESSAVG: 3107600 -19.1817 27.735 38.0856 29.7304 41.5774 5.83499 40.2535 8.84978 19.699 TIMING: 3107600 CPU: 9259.34, 0.00297383/step Wall: 9259.34, 0.00297383/step, 1.56324 hours remaining, 206.019531 MB of memory in use. ENERGY: 3107600 823.3598 2084.1712 1941.9049 108.5643 -206489.2378 17751.5678 0.0000 0.0000 34062.4363 -149717.2334 297.4757 -183779.6698 -149627.6959 298.6311 -162.6184 -130.1959 557412.5450 14.0085 14.0316 PRESSURE: 3107800 295.087 -14.8626 104.173 -14.8625 222.653 -192.576 104.172 -192.577 12.3846 GPRESSURE: 3107800 297.677 -13.8248 83.6976 -12.9908 302.455 -169.107 166.049 -178.755 37.2522 PRESSAVG: 3107800 19.2548 47.7515 41.2893 47.7515 -50.4492 -20.9403 41.2893 -20.9403 68.6046 GPRESSAVG: 3107800 19.0137 50.6711 42.229 46.7798 -48.4406 -20.6914 41.4994 -20.7319 66.7938 TIMING: 3107800 CPU: 9259.93, 0.00295179/step Wall: 9259.93, 0.00295179/step, 1.55149 hours remaining, 206.019531 MB of memory in use. ENERGY: 3107800 721.4261 2064.7124 1929.0587 119.5551 -206440.7282 17794.0087 0.0000 0.0000 34041.8639 -149770.1035 297.2961 -183811.9674 -149674.1107 297.7559 176.7084 212.4616 554107.0334 12.4701 12.4556 PRESSURE: 3108000 -112.194 -23.1552 21.4456 -23.1559 -238.142 157.478 21.4468 157.478 -192.055 GPRESSURE: 3108000 -104.301 -12.0935 66.1141 31.9045 -206.092 60.0863 -31.996 251.168 -124.15 PRESSAVG: 3108000 33.0484 28.6523 -16.998 28.6522 -25.9252 -12.695 -16.998 -12.695 -26.7806 GPRESSAVG: 3108000 34.5547 27.7365 -18.8647 28.945 -28.1755 -12.025 -15.9679 -14.6742 -26.0511 TIMING: 3108000 CPU: 9260.52, 0.00292603/step Wall: 9260.52, 0.00292603/step, 1.53779 hours remaining, 206.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3108000 737.3386 2077.2435 1908.9488 114.1387 -206355.2265 17540.2852 0.0000 0.0000 34286.5759 -149690.6959 299.4332 -183977.2718 -149595.8644 297.1865 -180.7970 -144.8479 554753.6019 -6.5525 -6.5573 PRESSURE: 3108200 -256.907 -2.53769 31.5834 -2.53696 -164.852 20.8868 31.5835 20.8878 -60.3725 GPRESSURE: 3108200 -227.704 -6.1367 -2.77105 55.237 -112.388 -39.6664 8.2993 71.9015 -35.8861 PRESSAVG: 3108200 -31.5247 23.3881 -12.6077 23.3881 51.3504 64.1893 -12.6077 64.1894 32.0928 GPRESSAVG: 3108200 -32.4397 22.1006 -11.2662 24.6442 52.6536 62.9245 -14.8942 65.4368 30.9675 TIMING: 3108200 CPU: 9261.1, 0.00294579/step Wall: 9261.1, 0.00294579/step, 1.54801 hours remaining, 206.019531 MB of memory in use. ENERGY: 3108200 745.0400 2041.2377 1940.0893 123.5407 -205995.5973 17460.2612 0.0000 0.0000 33982.8942 -149702.5342 296.7811 -183685.4284 -149600.6447 298.5431 -160.7104 -125.3259 556322.2671 17.3062 17.0605 LDB: ============= START OF LOAD BALANCING ============== 9264.65 LDB: ============== END OF LOAD BALANCING =============== 9264.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9264.65 LDB: ============= START OF LOAD BALANCING ============== 9264.94 LDB: Largest compute 4772 load 0.024122 is 20.4% of average load 0.118209 LDB: Average compute 0.001738 is 1.5% of average load 0.118209 LDB: TIME 9264.95 LOAD: AVG 0.118209 MAX 0.195245 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.305 MB LDB: TIME 9264.95 LOAD: AVG 0.118209 MAX 0.195245 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.32 MB LDB: TIME 9264.95 LOAD: AVG 0.118209 MAX 0.195245 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.32 MB LDB: ============== END OF LOAD BALANCING =============== 9264.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9264.95 PRESSURE: 3108400 -95.462 64.8796 -145.65 64.8804 -25.7581 -37.2852 -145.65 -37.2849 133.572 GPRESSURE: 3108400 -101.868 43.0834 -140.548 17.5082 28.1809 -47.6135 -203.338 23.1712 184.487 PRESSAVG: 3108400 -24.9745 28.0103 -33.9397 28.0103 52.0832 40.3534 -33.9398 40.3534 -28.7064 GPRESSAVG: 3108400 -24.0686 27.7168 -34.6004 28.7492 51.0188 39.6864 -31.4508 38.6997 -28.0942 TIMING: 3108400 CPU: 9261.7, 0.00298752/step Wall: 9261.7, 0.00298752/step, 1.56978 hours remaining, 206.734375 MB of memory in use. ENERGY: 3108400 739.7587 2092.5222 1900.9887 105.5887 -206296.8784 17683.4737 0.0000 0.0000 34048.6901 -149725.8564 297.3557 -183774.5465 -149624.5264 298.2675 4.1174 36.9332 555974.8768 -0.5326 -0.3814 PRESSURE: 3108600 153.131 103.268 -113.788 103.268 -74.3667 -138.949 -113.785 -138.947 12.8777 GPRESSURE: 3108600 134.793 69.2667 -165.004 166.638 7.87324 -136.515 -14.0663 -102.293 37.6907 PRESSAVG: 3108600 -36.1768 16.0926 -0.990067 16.0927 -29.7724 26.3365 -0.990017 26.3365 49.1488 GPRESSAVG: 3108600 -36.7264 17.9505 0.531946 16.3288 -28.59 28.4221 -2.07978 26.6093 48.3315 TIMING: 3108600 CPU: 9262.3, 0.00297108/step Wall: 9262.3, 0.00297108/step, 1.56097 hours remaining, 206.972656 MB of memory in use. ENERGY: 3108600 698.7674 2166.1788 1908.9775 98.1921 -206625.7026 17833.9123 0.0000 0.0000 34236.3276 -149683.3468 298.9944 -183919.6744 -149589.1135 297.3699 30.5472 60.1190 556287.5429 -5.6001 -5.6616 PRESSURE: 3108800 198.03 -10.8304 -75.6994 -10.8302 -17.7734 -103.258 -75.7003 -103.257 240.787 GPRESSURE: 3108800 247.739 20.148 -126.546 -88.4624 -22.3816 -130.463 -12.1279 -79.1844 291.073 PRESSAVG: 3108800 -13.4683 -10.7472 -42.0352 -10.7471 -16.7399 -17.9934 -42.0351 -17.9934 26.4647 GPRESSAVG: 3108800 -11.9868 -9.06407 -42.7315 -13.7249 -18.5725 -21.9465 -43.0293 -15.3365 26.2966 TIMING: 3108800 CPU: 9262.89, 0.00294422/step Wall: 9262.89, 0.00294422/step, 1.5467 hours remaining, 207.097656 MB of memory in use. ENERGY: 3108800 752.6418 2088.5159 1940.6050 112.6394 -206283.2633 17879.4727 0.0000 0.0000 33969.9544 -149539.4341 296.6681 -183509.3885 -149449.8562 298.2694 140.3477 172.1434 556453.3255 -1.2478 -1.4209 PRESSURE: 3109000 -365.944 -84.6983 -41.5535 -84.6979 -26.4426 -18.4143 -41.5545 -18.4148 -156.708 GPRESSURE: 3109000 -340.47 -78.6416 -6.551 -87.0379 25.7628 31.3172 -37.1327 -65.5728 -121.244 PRESSAVG: 3109000 -41.3788 -55.1429 -23.7944 -55.1428 59.9672 7.44741 -23.7945 7.4475 -43.279 GPRESSAVG: 3109000 -42.4364 -55.7982 -23.0477 -53.5243 60.8818 12.3083 -22.9045 4.05354 -42.9538 TIMING: 3109000 CPU: 9263.48, 0.0029556/step Wall: 9263.48, 0.0029556/step, 1.55251 hours remaining, 207.097656 MB of memory in use. ENERGY: 3109000 735.1023 2110.9686 1920.1115 114.6557 -206133.0350 17667.9876 0.0000 0.0000 34250.3351 -149333.8743 299.1167 -183584.2094 -149236.4839 298.7169 -183.0315 -145.3171 556482.3527 -8.2302 -8.1695 PRESSURE: 3109200 -71.5496 -151.627 -172.746 -151.629 -272.798 35.8093 -172.746 35.8117 347.488 GPRESSURE: 3109200 -21.7966 -127.989 -116.316 -189.484 -220.986 2.46904 -165.787 -12.2125 345.282 PRESSAVG: 3109200 -66.4011 -73.8435 -50.7723 -73.8434 -4.82811 13.0445 -50.7723 13.0446 63.2476 GPRESSAVG: 3109200 -66.0984 -74.1062 -52.1441 -74.8734 -5.77081 10.9282 -49.5164 15.3023 63.6477 TIMING: 3109200 CPU: 9264.07, 0.00295763/step Wall: 9264.07, 0.00295763/step, 1.55341 hours remaining, 207.097656 MB of memory in use. ENERGY: 3109200 728.0811 2087.4699 1913.3233 111.3224 -206370.1416 17814.6246 0.0000 0.0000 34256.6017 -149458.7186 299.1714 -183715.3203 -149361.4751 299.3487 1.0469 34.1666 556264.6987 -2.6606 -2.7405 PRESSURE: 3109400 -41.1712 -16.7176 110.88 -16.7171 -49.3732 -40.3047 110.88 -40.3051 -83.2229 GPRESSURE: 3109400 -30.8197 -71.1018 142.276 26.572 -35.1637 -22.8224 -3.66801 -23.2975 -20.4264 PRESSAVG: 3109400 34.7579 26.7881 -18.361 26.788 -77.2104 -15.9332 -18.361 -15.9331 65.2333 GPRESSAVG: 3109400 33.4615 24.2263 -19.277 27.4697 -75.6875 -16.1446 -16.919 -16.3322 65.3194 TIMING: 3109400 CPU: 9264.66, 0.00295431/step Wall: 9264.66, 0.00295431/step, 1.55151 hours remaining, 207.097656 MB of memory in use. ENERGY: 3109400 765.8661 2094.4847 1927.2079 113.1995 -206365.8584 17776.2757 0.0000 0.0000 34357.3699 -149331.4546 300.0515 -183688.8246 -149235.9788 299.3335 -57.9224 -28.8032 555523.1471 7.5936 7.6978 PRESSURE: 3109600 -88.315 1.29082 188.56 1.28995 26.451 -109.286 188.56 -109.287 -214.39 GPRESSURE: 3109600 -65.7135 -12.0272 133.982 12.6979 57.6244 -87.4356 166.057 -243.559 -163.965 PRESSAVG: 3109600 0.110557 6.83958 -43.3948 6.83958 41.4719 -9.70781 -43.3948 -9.70787 -32.4217 GPRESSAVG: 3109600 1.02651 8.80276 -43.2178 6.51227 40.0142 -11.2765 -43.9613 -8.46471 -32.3904 TIMING: 3109600 CPU: 9265.25, 0.00294872/step Wall: 9265.25, 0.00294872/step, 1.54841 hours remaining, 207.097656 MB of memory in use. ENERGY: 3109600 762.6273 2079.2955 1954.8848 110.5338 -206273.9668 17777.8655 0.0000 0.0000 34209.3568 -149379.4032 298.7588 -183588.7599 -149287.8060 298.9046 -92.0847 -57.3515 556724.0893 3.0536 2.8834 PRESSURE: 3109800 -145.294 -17.2517 96.0486 -17.2521 -201.735 81.6636 96.0478 81.6634 -11.8686 GPRESSURE: 3109800 -114.994 -0.145547 16.2294 -6.08658 -145.768 58.4621 191.144 115.127 -7.70924 PRESSAVG: 3109800 -35.3347 26.0159 28.8528 26.0159 -12.6353 -33.6961 28.8528 -33.6961 15.7245 GPRESSAVG: 3109800 -34.7734 26.1518 29.8087 24.0435 -12.5831 -32.5942 27.1742 -34.8918 15.4536 TIMING: 3109800 CPU: 9265.83, 0.002926/step Wall: 9265.83, 0.002926/step, 1.53631 hours remaining, 207.097656 MB of memory in use. ENERGY: 3109800 728.2147 2081.2618 1920.4636 114.3408 -206011.1011 17464.4148 0.0000 0.0000 34408.0228 -149294.3826 300.4938 -183702.4054 -149200.9474 298.9570 -119.6325 -89.4901 555722.3945 -10.7485 -10.6343 PRESSURE: 3110000 -492.732 119.219 -94.1328 119.22 55.7014 -15.6099 -94.1322 -15.6094 -209.382 GPRESSURE: 3110000 -451.695 157.643 -102.094 145.05 65.3498 -6.49019 -56.0157 -63.3719 -171.752 PRESSAVG: 3110000 -14.1889 29.152 25.2749 29.1521 -1.26125 -38.1226 25.275 -38.1227 6.15235 GPRESSAVG: 3110000 -14.6788 27.7155 23.3611 30.6662 -0.875565 -38.6183 26.6477 -36.2017 5.99109 TIMING: 3110000 CPU: 9266.42, 0.00294754/step Wall: 9266.42, 0.00294754/step, 1.54746 hours remaining, 207.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3110000 707.1975 2053.5947 1946.9433 112.2493 -205821.5795 17432.3077 0.0000 0.0000 34237.4491 -149331.8379 299.0042 -183569.2870 -149233.9963 299.0734 -215.4707 -186.0324 556874.7613 -3.0993 -3.1878 PRESSURE: 3110200 212.045 -122.738 -60.0428 -122.739 107.413 98.873 -60.0422 98.8727 -91.6605 GPRESSURE: 3110200 229.234 -85.7778 9.90427 -153.818 156.282 126.212 -39.2902 143.561 -55.097 PRESSAVG: 3110200 -20.8911 -9.58066 -10.568 -9.58068 -30.4741 -19.9331 -10.568 -19.9333 79.4756 GPRESSAVG: 3110200 -20.4873 -10.4143 -8.30284 -10.3733 -31.1425 -20.1339 -11.6192 -21.3926 79.7862 TIMING: 3110200 CPU: 9267.01, 0.00294922/step Wall: 9267.01, 0.00294922/step, 1.54818 hours remaining, 207.097656 MB of memory in use. ENERGY: 3110200 742.3929 2064.1645 1935.8143 118.5905 -206311.5975 17816.6963 0.0000 0.0000 34163.0928 -149470.8461 298.3548 -183633.9389 -149379.3785 298.9167 75.9326 110.1398 556925.5019 9.3701 9.3855 PRESSURE: 3110400 -71.6629 -59.7148 48.7125 -59.7147 147.63 -50.9299 48.7132 -50.9285 -14.087 GPRESSURE: 3110400 -5.05776 -70.9041 -1.68738 -88.104 127.457 -107.414 68.3154 1.29232 36.692 PRESSAVG: 3110400 6.35681 8.61709 -1.41148 8.61718 6.61343 -26.6874 -1.41143 -26.6874 30.8686 GPRESSAVG: 3110400 5.21748 8.24176 -1.63812 11.6698 7.03266 -25.1885 -2.08663 -28.2655 31.4513 TIMING: 3110400 CPU: 9267.6, 0.00293239/step Wall: 9267.6, 0.00293239/step, 1.53918 hours remaining, 207.097656 MB of memory in use. ENERGY: 3110400 738.3884 2096.4684 1939.6763 104.0887 -206589.3706 17816.4695 0.0000 0.0000 34361.2908 -149532.9886 300.0857 -183894.2794 -149434.1720 298.0468 20.6267 53.0305 555614.1829 14.6130 14.5671 PRESSURE: 3110600 -85.3409 -126.414 -108.932 -126.414 184.269 -23.6462 -108.932 -23.6471 -40.7876 GPRESSURE: 3110600 -60.3163 -222.237 -106.267 -83.497 142.716 4.79043 -166.92 7.66611 70.8787 PRESSAVG: 3110600 74.2593 -14.5257 13.48 -14.5257 -32.3692 31.5809 13.4799 31.5809 -21.1457 GPRESSAVG: 3110600 73.5254 -13.3656 13.3423 -17.4023 -32.3038 30.9127 16.0171 31.452 -21.3493 TIMING: 3110600 CPU: 9268.19, 0.00293488/step Wall: 9268.19, 0.00293488/step, 1.54032 hours remaining, 207.097656 MB of memory in use. ENERGY: 3110600 724.4528 2064.0266 1929.3169 101.9738 -206499.3845 17955.5919 0.0000 0.0000 34177.8404 -149546.1821 298.4836 -183724.0225 -149448.9109 298.2937 19.3801 51.0930 558803.8605 6.9148 6.6241 PRESSURE: 3110800 -74.8591 16.2442 88.657 16.2452 -75.3816 73.7414 88.6565 73.7413 -222.874 GPRESSURE: 3110800 -14.8217 49.4479 34.2073 13.959 -86.1838 96.2539 66.8247 81.3286 -176.775 PRESSAVG: 3110800 4.41613 -49.3761 27.9317 -49.376 19.5962 65.2367 27.9318 65.2367 29.9306 GPRESSAVG: 3110800 5.30485 -49.1534 27.4574 -48.3407 19.0208 64.4897 27.7476 66.3645 29.3493 TIMING: 3110800 CPU: 9268.77, 0.00292528/step Wall: 9268.77, 0.00292528/step, 1.53512 hours remaining, 207.097656 MB of memory in use. ENERGY: 3110800 771.4446 2055.1839 1928.7206 117.1354 -206035.6927 17642.7956 0.0000 0.0000 34105.5606 -149414.8520 297.8523 -183520.4126 -149320.5938 299.1851 -124.3716 -92.5935 557880.2480 17.9810 17.8916 PRESSURE: 3111000 -146.216 82.6365 -81.7026 82.6369 -117.954 93.3406 -81.7036 93.3424 -169.634 GPRESSURE: 3111000 -119.134 34.8513 -80.3301 125.087 -96.1428 87.6191 -92.3432 83.1743 -113.24 PRESSAVG: 3111000 10.3432 -30.6906 39.9022 -30.6906 34.5627 16.0642 39.9022 16.0642 -8.51919 GPRESSAVG: 3111000 10.5996 -31.0582 40.4284 -31.0236 34.2856 16.712 39.5136 16.8912 -8.77571 TIMING: 3111000 CPU: 9269.36, 0.00294614/step Wall: 9269.36, 0.00294614/step, 1.5459 hours remaining, 207.097656 MB of memory in use. ENERGY: 3111000 789.3138 2080.7938 1943.7599 95.9346 -206540.3077 17816.4383 0.0000 0.0000 34465.3318 -149348.7356 300.9943 -183814.0674 -149244.0704 299.3370 -144.6015 -109.5056 557967.2689 12.1289 12.0365 PRESSURE: 3111200 115.834 29.917 6.40454 29.9183 -90.752 312.035 6.40261 312.033 286.322 GPRESSURE: 3111200 167.031 37.8256 -28.5094 29.0931 -67.8193 243.369 84.0514 359.507 303.513 PRESSAVG: 3111200 -2.30174 -10.6719 28.2233 -10.672 6.21845 33.048 28.2234 33.048 11.918 GPRESSAVG: 3111200 -3.61995 -11.7946 28.0113 -10.8603 6.40528 32.3582 27.8555 31.9911 12.5167 TIMING: 3111200 CPU: 9269.95, 0.00294928/step Wall: 9269.95, 0.00294928/step, 1.54739 hours remaining, 207.097656 MB of memory in use. ENERGY: 3111200 714.1531 2104.6888 1930.6940 111.2293 -206410.3956 18004.2848 0.0000 0.0000 34292.6228 -149252.7227 299.4860 -183545.3454 -149155.5251 299.3088 103.8015 134.2414 557851.2005 5.2782 5.1007 PRESSURE: 3111400 238.19 0.203779 -50.7704 0.204396 48.9595 -5.0517 -50.7699 -5.05278 -11.772 GPRESSURE: 3111400 297.014 6.45387 -70.4046 48.4318 108.407 59.365 -49.7852 -116.827 -31.7564 PRESSAVG: 3111400 8.52636 58.0175 18.4098 58.0175 32.3233 53.028 18.4097 53.0281 -11.3724 GPRESSAVG: 3111400 9.80668 58.5066 17.8609 57.9695 31.4863 53.1682 19.9421 54.1919 -11.9127 TIMING: 3111400 CPU: 9270.54, 0.00293931/step Wall: 9270.54, 0.00293931/step, 1.54199 hours remaining, 207.097656 MB of memory in use. ENERGY: 3111400 717.3283 2014.9632 1943.9609 123.2813 -205996.1708 17833.0198 0.0000 0.0000 34309.2755 -149054.3417 299.6314 -183363.6173 -148962.4134 299.2324 91.7923 124.5549 557621.3715 9.8258 9.7935 PRESSURE: 3111600 -140.746 -29.0763 41.2931 -29.0756 40.0991 -46.2168 41.2944 -46.2166 122.048 GPRESSURE: 3111600 -110.023 -21.3249 -52.982 35.081 74.0094 -39.6392 135.534 43.5678 146.571 PRESSAVG: 3111600 -13.8799 18.6318 -8.23584 18.6318 -33.1007 29.6654 -8.2358 29.6653 8.59854 GPRESSAVG: 3111600 -14.5677 18.6357 -8.51401 18.4786 -32.6185 30.6576 -10.3979 26.7608 9.02003 TIMING: 3111600 CPU: 9271.13, 0.00293695/step Wall: 9271.13, 0.00293695/step, 1.54059 hours remaining, 207.097656 MB of memory in use. ENERGY: 3111600 734.2930 2038.3279 1925.7514 113.2134 -205898.1892 17675.5712 0.0000 0.0000 34418.2913 -148992.7410 300.5835 -183411.0323 -148901.3748 299.9301 7.1336 36.8526 558384.6567 -12.7940 -12.7221 PRESSURE: 3111800 -76.0192 -139.625 -41.5153 -139.625 -241.815 -66.4178 -41.5145 -66.4174 19.8603 GPRESSURE: 3111800 -43.3069 -186.287 57.5167 -72.661 -153.005 13.9053 -50.3944 -131.144 -5.54886 PRESSAVG: 3111800 68.2356 69.3854 -38.7783 69.3855 -33.6613 -42.1153 -38.7783 -42.1154 25.4212 GPRESSAVG: 3111800 68.236 67.6626 -37.5311 69.7211 -34.2501 -41.9372 -36.7168 -43.0063 25.5871 TIMING: 3111800 CPU: 9271.72, 0.0029469/step Wall: 9271.72, 0.0029469/step, 1.54565 hours remaining, 207.097656 MB of memory in use. ENERGY: 3111800 786.1422 2014.0870 1961.1619 110.9345 -205959.2287 17717.4043 0.0000 0.0000 34359.2349 -149010.2639 300.0677 -183369.4988 -148908.9756 299.7449 -99.3247 -67.2868 557203.0461 19.9985 19.8576 PRESSURE: 3112000 -171.969 -12.3325 -29.5791 -12.3331 -10.2969 191.911 -29.5792 191.911 -22.8426 GPRESSURE: 3112000 -124.237 26.5974 -6.40251 -2.48635 -1.48669 167.779 30.8944 148.866 18.923 PRESSAVG: 3112000 -61.7984 11.8572 -46.9372 11.8572 2.80665 18.1579 -46.9372 18.1579 48.8553 GPRESSAVG: 3112000 -61.9209 15.3873 -48.3863 11.5718 3.17577 15.821 -48.1049 22.3825 48.0866 TIMING: 3112000 CPU: 9272.3, 0.00293342/step Wall: 9272.3, 0.00293343/step, 1.53842 hours remaining, 207.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3112000 729.3074 2106.7206 1947.8973 109.6859 -205802.3803 17584.1173 0.0000 0.0000 34200.1298 -149124.5221 298.6782 -183324.6519 -149032.8590 299.4544 -68.3695 -35.6004 557945.7282 -3.3788 -3.5529 PRESSURE: 3112200 -40.8006 -32.1096 -130.828 -32.1095 -258.733 -32.6777 -130.828 -32.6777 -122.605 GPRESSURE: 3112200 12.6689 -38.5772 -233.077 -106.353 -238.373 -83.889 -116.874 14.0233 -108.732 PRESSAVG: 3112200 11.1495 27.7826 -30.3171 27.7826 -30.0196 -37.9638 -30.3171 -37.9638 6.08039 GPRESSAVG: 3112200 11.7967 25.4242 -31.0899 26.9817 -30.9698 -38.05 -30.3546 -39.0178 5.95262 TIMING: 3112200 CPU: 9272.89, 0.00293806/step Wall: 9272.89, 0.00293806/step, 1.54069 hours remaining, 207.097656 MB of memory in use. ENERGY: 3112200 758.2727 2071.4536 1957.1544 115.4050 -205752.1042 17614.5823 0.0000 0.0000 34114.5758 -149120.6606 297.9311 -183235.2363 -149034.2639 299.7384 -140.7128 -111.4785 559054.1318 -4.2632 -4.4068 LDB: ============= START OF LOAD BALANCING ============== 9276.43 LDB: ============== END OF LOAD BALANCING =============== 9276.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9276.43 LDB: ============= START OF LOAD BALANCING ============== 9276.73 LDB: Largest compute 4772 load 0.023849 is 20.2% of average load 0.118217 LDB: Average compute 0.001730 is 1.5% of average load 0.118217 LDB: TIME 9276.73 LOAD: AVG 0.118217 MAX 0.196811 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 9276.73 LOAD: AVG 0.118217 MAX 0.196811 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.219 MB LDB: TIME 9276.73 LOAD: AVG 0.118217 MAX 0.196811 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.219 MB LDB: ============== END OF LOAD BALANCING =============== 9276.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9276.74 PRESSURE: 3112400 217.106 -12.6598 -54.6719 -12.6597 -50.6325 145.194 -54.6718 145.193 -49.2951 GPRESSURE: 3112400 201.301 38.666 15.9113 -75.7607 20.8703 147.576 -131.059 129.287 -9.46086 PRESSAVG: 3112400 89.7585 70.401 -77.8196 70.4009 -95.3135 0.551108 -77.8196 0.551101 0.334602 GPRESSAVG: 3112400 89.0189 72.1408 -76.9212 68.3901 -95.4192 2.53355 -79.3863 -0.503567 1.33413 TIMING: 3112400 CPU: 9273.49, 0.00298602/step Wall: 9273.49, 0.00298602/step, 1.56567 hours remaining, 206.734375 MB of memory in use. ENERGY: 3112400 763.9230 2056.6778 1969.0316 119.3923 -206429.1154 18009.9060 0.0000 0.0000 34171.7088 -149338.4760 298.4300 -183510.1848 -149242.2163 298.7985 39.0594 70.9035 557766.2121 -1.7401 -1.6887 PRESSURE: 3112600 -51.7856 111.213 42.7723 111.212 -34.2175 144.945 42.7718 144.945 -44.8322 GPRESSURE: 3112600 -11.761 -6.57347 -18.2707 174.617 12.7799 113.842 82.0007 188.658 -24.3552 PRESSAVG: 3112600 -29.0312 32.1631 -0.535264 32.163 29.2467 -7.96304 -0.535307 -7.96298 -45.0891 GPRESSAVG: 3112600 -30.287 30.7263 -1.08227 36.54 29.8046 -7.80022 0.696803 -8.18608 -44.915 TIMING: 3112600 CPU: 9274.07, 0.00293352/step Wall: 9274.07, 0.00293352/step, 1.53798 hours remaining, 206.734375 MB of memory in use. ENERGY: 3112600 721.5959 2061.1341 1957.2409 111.0037 -206168.4479 17876.9700 0.0000 0.0000 34094.8480 -149345.6554 297.7588 -183440.5034 -149255.8988 299.2335 -43.6118 -7.7787 557340.2035 -14.9579 -15.1325 PRESSURE: 3112800 -149.87 69.525 -72.0403 69.5244 -94.2074 -4.61893 -72.0407 -4.61897 -13.0969 GPRESSURE: 3112800 -122.241 80.9765 -86.6585 95.4447 -64.861 69.5978 -0.804956 -104.236 24.8888 PRESSAVG: 3112800 9.00679 9.33468 42.1095 9.33466 -5.31665 39.3233 42.1096 39.3233 42.9675 GPRESSAVG: 3112800 10.0341 11.8084 42.8239 7.31062 -5.14739 37.7569 41.7338 38.3561 41.3827 TIMING: 3112800 CPU: 9274.66, 0.00293936/step Wall: 9274.66, 0.00293936/step, 1.54088 hours remaining, 206.734375 MB of memory in use. ENERGY: 3112800 721.4783 2049.2563 1929.7333 114.7419 -206425.6254 17908.9870 0.0000 0.0000 34319.2142 -149382.2144 299.7182 -183701.4286 -149276.7618 298.5005 -85.7249 -54.0711 558285.7147 15.5525 15.4231 PRESSURE: 3113000 -129.214 99.7455 108.186 99.7463 -28.2209 -72.1486 108.185 -72.1475 252.936 GPRESSURE: 3113000 -99.7703 123.451 107.372 150.188 -16.5662 -50.8868 42.4737 -68.5333 296.097 PRESSAVG: 3113000 -20.3686 -7.66972 39.0301 -7.66978 -18.3595 -58.4174 39.0301 -58.4174 56.304 GPRESSAVG: 3113000 -21.5115 -9.16704 39.5229 -8.50374 -19.5706 -59.344 38.2207 -58.1689 58.2499 TIMING: 3113000 CPU: 9275.25, 0.0029389/step Wall: 9275.25, 0.0029389/step, 1.54047 hours remaining, 206.769531 MB of memory in use. ENERGY: 3113000 736.6818 2048.9849 1921.0756 114.0001 -206486.5540 17881.2156 0.0000 0.0000 34259.8175 -149524.7785 299.1995 -183784.5960 -149432.4408 298.4445 31.8337 59.9200 558304.8819 5.8586 5.7226 PRESSURE: 3113200 31.1237 116.741 178.6 116.74 -13.2531 -54.008 178.6 -54.0089 76.2185 GPRESSURE: 3113200 76.394 101.116 200.574 51.0087 39.7952 -63.1085 176.157 -79.0388 87.8553 PRESSAVG: 3113200 -67.5807 13.7788 4.29386 13.7788 25.4013 -39.3832 4.29388 -39.3833 72.6167 GPRESSAVG: 3113200 -67.2464 14.2382 3.45629 14.3719 25.7697 -37.4487 5.17115 -39.9015 71.8321 TIMING: 3113200 CPU: 9275.84, 0.00295194/step Wall: 9275.84, 0.00295194/step, 1.54715 hours remaining, 206.769531 MB of memory in use. ENERGY: 3113200 721.6780 2072.5815 1931.5471 113.1898 -206770.6615 18077.8203 0.0000 0.0000 34355.6396 -149498.2051 300.0363 -183853.8448 -149400.3691 298.1343 31.3630 68.0149 558842.0312 10.1458 10.1185 PRESSURE: 3113400 -72.8416 -80.4014 140.601 -80.4004 -32.3784 139.427 140.601 139.426 0.596589 GPRESSURE: 3113400 21.41 -172.308 180.912 -17.8033 -33.5413 151.802 89.8029 98.8267 14.6015 PRESSAVG: 3113400 -85.0381 -8.91977 -11.4744 -8.91982 13.2388 -9.38052 -11.4743 -9.38058 74.059 GPRESSAVG: 3113400 -84.513 -7.56494 -12.0225 -11.1127 12.8648 -8.31758 -9.27598 -8.8413 73.4626 TIMING: 3113400 CPU: 9276.43, 0.00294519/step Wall: 9276.43, 0.00294519/step, 1.54344 hours remaining, 206.769531 MB of memory in use. ENERGY: 3113400 711.8595 2064.5802 1931.5243 110.5964 -206337.3780 17855.5809 0.0000 0.0000 34207.8859 -149455.3508 298.7460 -183663.2367 -149358.2196 298.5325 -34.8745 0.8234 557982.2880 0.7532 0.6048 PRESSURE: 3113600 178.035 26.1159 89.2207 26.115 155.72 18.1691 89.2192 18.1683 178.445 GPRESSURE: 3113600 165.728 148.826 58.2442 1.30004 260.178 71.3833 20.5285 55.4547 181.592 PRESSAVG: 3113600 12.8122 -46.822 0.0373587 -46.822 7.30899 10.3922 0.037387 10.3923 12.7214 GPRESSAVG: 3113600 12.2363 -49.8634 0.505246 -42.4626 7.556 8.24983 -4.65339 10.7275 12.7151 TIMING: 3113600 CPU: 9277.01, 0.00291981/step Wall: 9277.01, 0.00291981/step, 1.52998 hours remaining, 206.769531 MB of memory in use. ENERGY: 3113600 702.0576 2080.4711 1913.7518 106.6506 -206368.7106 17994.8854 0.0000 0.0000 34193.6268 -149377.2673 298.6214 -183570.8941 -149284.1274 298.9034 170.7331 202.4995 556975.8888 10.9476 10.8358 PRESSURE: 3113800 22.5824 76.7667 73.9816 76.7674 134.825 19.6345 73.9827 19.6346 -218.781 GPRESSURE: 3113800 79.8439 101.83 33.026 82.2319 137.268 -21.7484 19.2898 61.5844 -178.912 PRESSAVG: 3113800 -5.03762 11.8428 27.0842 11.8429 23.8883 -4.66872 27.0842 -4.66873 -4.61044 GPRESSAVG: 3113800 -4.04601 13.5756 27.2369 7.95123 22.7764 -2.82687 29.2395 -4.47756 -4.41862 TIMING: 3113800 CPU: 9277.6, 0.00294595/step Wall: 9277.6, 0.00294594/step, 1.54351 hours remaining, 206.769531 MB of memory in use. ENERGY: 3113800 752.6802 2125.9461 1926.1578 115.5324 -206282.0126 17817.3363 0.0000 0.0000 34172.2319 -149372.1279 298.4346 -183544.3598 -149272.4158 299.2919 -20.4580 12.7333 557460.9715 4.7468 4.7706 PRESSURE: 3114000 -322.518 -32.7966 113.223 -32.7965 -281.467 -159.684 113.223 -159.684 -40.7455 GPRESSURE: 3114000 -278.521 -40.9351 85.6042 -9.76457 -245.433 -182.359 128.463 -218.39 -39.1785 PRESSAVG: 3114000 -35.3947 43.0624 24.2622 43.0625 -50.3721 -72.0139 24.2621 -72.0139 73.1655 GPRESSAVG: 3114000 -35.0957 41.377 24.9672 45.8487 -50.3819 -73.8156 25.1137 -70.4065 72.7509 TIMING: 3114000 CPU: 9278.2, 0.00297477/step Wall: 9278.2, 0.00297477/step, 1.55845 hours remaining, 206.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3114000 724.7589 2090.2621 1893.8039 110.6410 -205492.0294 17213.7418 0.0000 0.0000 34062.8628 -149395.9590 297.4795 -183458.8217 -149305.3775 298.4354 -214.9104 -187.7107 557296.0443 -4.2004 -4.2422 PRESSURE: 3114200 -322.413 -0.11473 -20.9322 -0.113841 -91.7044 -61.7084 -20.9327 -61.7103 -148.911 GPRESSURE: 3114200 -255.403 20.402 -30.094 28.6384 -143.876 -72.5687 -48.8329 -96.1096 -51.3113 PRESSAVG: 3114200 -36.2902 3.87164 48.3645 3.87159 29.9619 -63.9169 48.3647 -63.9168 50.3677 GPRESSAVG: 3114200 -36.4919 5.82353 49.5909 3.3732 29.486 -63.7387 45.5465 -64.3338 50.9727 TIMING: 3114200 CPU: 9278.78, 0.00293564/step Wall: 9278.78, 0.00293564/step, 1.53778 hours remaining, 206.769531 MB of memory in use. ENERGY: 3114200 723.3749 2090.3123 1935.0434 107.3814 -206073.7325 17501.2241 0.0000 0.0000 34219.9146 -149496.4817 298.8510 -183716.3963 -149398.6837 298.8393 -187.6762 -150.1965 557361.1605 14.6798 14.6556 PRESSURE: 3114400 -232.472 4.5959 -138.628 4.59681 -143.917 101.155 -138.629 101.155 -235.293 GPRESSURE: 3114400 -252.362 -51.8057 -89.6968 7.55886 -39.7063 120.247 -174.301 29.1614 -220.187 PRESSAVG: 3114400 -62.9926 60.5367 16.8664 60.5367 40.9706 53.8028 16.8664 53.8027 -15.3762 GPRESSAVG: 3114400 -63.5108 61.1145 15.6957 60.6835 42.1773 53.3411 17.9251 52.951 -15.7982 TIMING: 3114400 CPU: 9279.37, 0.00291268/step Wall: 9279.37, 0.00291268/step, 1.5256 hours remaining, 206.769531 MB of memory in use. ENERGY: 3114400 740.5728 2040.9591 1934.0046 107.6832 -206069.5637 17575.7188 0.0000 0.0000 34270.4954 -149400.1298 299.2928 -183670.6252 -149304.4270 298.8687 -203.8938 -170.7517 558936.0480 -12.4661 -12.3772 PRESSURE: 3114600 -182.415 -266.735 66.8632 -266.734 -99.2257 15.1341 66.863 15.1351 -257.05 GPRESSURE: 3114600 -207.251 -291.962 28.0915 -272.975 -47.6709 -34.1321 51.4617 6.26625 -188.375 PRESSAVG: 3114600 -48.4473 22.153 -17.467 22.153 25.7836 -8.47339 -17.4671 -8.47341 3.96399 GPRESSAVG: 3114600 -48.6298 22.9039 -17.1579 23.0444 25.622 -6.21476 -16.2277 -8.42583 4.38034 TIMING: 3114600 CPU: 9279.95, 0.00291243/step Wall: 9279.95, 0.00291243/step, 1.52531 hours remaining, 206.769531 MB of memory in use. ENERGY: 3114600 754.9194 2117.3432 1936.4272 109.1762 -206045.9688 17594.3958 0.0000 0.0000 34179.2704 -149354.4367 298.4961 -183533.7071 -149261.2578 298.5065 -179.5635 -147.7654 558422.4621 -6.2332 -6.2092 PRESSURE: 3114800 167.665 -51.0692 -8.26343 -51.0694 -102.204 -106.199 -8.26368 -106.199 -18.6412 GPRESSURE: 3114800 173.768 -55.8811 -45.5591 -25.2472 -41.5323 -132.276 78.9152 -99.552 21.029 PRESSAVG: 3114800 -41.3179 24.6564 56.1703 24.6564 49.9402 -25.7576 56.1702 -25.7577 11.7753 GPRESSAVG: 3114800 -41.4791 24.148 54.1415 22.6739 50.322 -25.7852 57.0685 -27.7434 11.4112 TIMING: 3114800 CPU: 9280.54, 0.0029455/step Wall: 9280.54, 0.0029455/step, 1.54246 hours remaining, 206.769531 MB of memory in use. ENERGY: 3114800 777.8219 2024.5547 1963.8989 107.5245 -206503.8423 18027.4914 0.0000 0.0000 34466.8157 -149135.7353 301.0073 -183602.5510 -149034.6757 299.5464 15.6066 51.0881 557147.0859 6.7992 6.7514 PRESSURE: 3115000 -37.4909 -225.418 -26.4291 -225.417 55.2901 -33.5354 -26.4289 -33.5344 -9.02516 GPRESSURE: 3115000 16.2906 -198.398 -38.8428 -221.071 82.6682 15.3749 -35.7604 -79.2786 32.1266 PRESSAVG: 3115000 10.2027 10.7618 5.11467 10.7618 -32.5386 8.57127 5.11463 8.57126 -11.418 GPRESSAVG: 3115000 10.8712 9.5558 5.77493 11.9474 -34.0945 8.22697 2.70451 9.36575 -10.7738 TIMING: 3115000 CPU: 9281.12, 0.00292152/step Wall: 9281.12, 0.00292152/step, 1.52974 hours remaining, 206.769531 MB of memory in use. ENERGY: 3115000 775.7072 2115.6361 1950.5504 106.1137 -206403.3557 17804.2240 0.0000 0.0000 34396.1949 -149254.9295 300.3905 -183651.1244 -149154.4699 299.4710 2.9247 43.6951 557265.8253 -11.2513 -11.3324 PRESSURE: 3115200 -192.168 141.799 -2.43924 141.797 114.674 -90.5732 -2.43943 -90.5735 -86.5252 GPRESSURE: 3115200 -116.832 138.443 -10.7951 113.12 106.776 -46.5688 5.24596 -126.092 -59.3865 PRESSAVG: 3115200 13.674 -6.30485 10.2836 -6.3049 -33.0409 22.2793 10.2836 22.2793 4.38353 GPRESSAVG: 3115200 14.4909 -3.98835 9.28643 -8.80975 -33.2075 21.2988 11.437 23.3384 3.3677 TIMING: 3115200 CPU: 9281.71, 0.00294006/step Wall: 9281.71, 0.00294006/step, 1.53928 hours remaining, 206.769531 MB of memory in use. ENERGY: 3115200 737.6612 2104.8564 1921.9599 118.4773 -205935.6655 17606.8348 0.0000 0.0000 34282.3308 -149163.5450 299.3961 -183445.8758 -149056.6887 299.4707 -54.6730 -23.1475 557356.9842 -4.9945 -5.1163 PRESSURE: 3115400 176.468 -4.70517 -135.635 -4.70621 -190.18 1.52094 -135.635 1.51957 17.2873 GPRESSURE: 3115400 179.726 6.99384 -134.532 -13.116 -118.159 52.6691 -134.068 -32.3266 20.0049 PRESSAVG: 3115400 -9.15325 -40.9824 -18.6384 -40.9824 -11.9399 -2.96367 -18.6383 -2.96376 53.4462 GPRESSAVG: 3115400 -10.2614 -41.6522 -19.1652 -41.7043 -11.1877 -1.99529 -17.1533 -2.20741 52.9811 TIMING: 3115400 CPU: 9282.3, 0.00294608/step Wall: 9282.3, 0.00294608/step, 1.54227 hours remaining, 206.769531 MB of memory in use. ENERGY: 3115400 755.4088 2090.0700 1947.6534 114.9040 -205839.1234 17494.9451 0.0000 0.0000 34281.2000 -149154.9421 299.3862 -183436.1421 -149058.1461 299.7280 1.1918 27.1908 558631.1386 10.7844 10.5107 PRESSURE: 3115600 -23.8973 9.94523 -186.865 9.94516 -124.679 -83.428 -186.865 -83.4271 135.798 GPRESSURE: 3115600 64.8587 72.4866 -156.217 82.8453 -89.7728 -114.697 -226.068 -113.323 118.639 PRESSAVG: 3115600 16.1624 30.1357 -90.2575 30.1359 -70.305 -37.4943 -90.2576 -37.4943 35.2065 GPRESSAVG: 3115600 16.4681 29.0249 -89.1575 32.2357 -69.8348 -38.0036 -91.8407 -38.4351 35.2218 TIMING: 3115600 CPU: 9282.89, 0.002935/step Wall: 9282.89, 0.002935/step, 1.53631 hours remaining, 206.769531 MB of memory in use. ENERGY: 3115600 743.7592 2086.1519 1961.6192 108.8302 -206128.4677 17759.8713 0.0000 0.0000 34282.4298 -149185.8060 299.3970 -183468.2358 -149089.8105 298.9698 -4.2597 31.2415 558994.0615 -6.3120 -6.0483 PRESSURE: 3115800 -140.603 133.393 -31.2066 133.392 99.7021 -78.4517 -31.2063 -78.4525 -204.984 GPRESSURE: 3115800 -144.733 83.1986 -66.0187 205.543 169.765 -112.342 -93.0706 -30.8368 -183.187 PRESSAVG: 3115800 -28.1507 -46.8076 -25.8529 -46.8077 -50.2923 -59.6167 -25.8528 -59.6168 15.9161 GPRESSAVG: 3115800 -27.6996 -45.3208 -25.6985 -46.2018 -50.8168 -59.7423 -26.3715 -58.5091 16.2446 TIMING: 3115800 CPU: 9283.48, 0.00296317/step Wall: 9283.48, 0.00296317/step, 1.55089 hours remaining, 206.769531 MB of memory in use. ENERGY: 3115800 784.7284 2014.5500 1945.3196 109.4123 -206171.5438 17838.7166 0.0000 0.0000 34235.8198 -149242.9969 298.9899 -183478.8168 -149144.1540 299.2549 -81.9615 -52.7186 558467.9309 -20.8423 -20.7573 PRESSURE: 3116000 36.2963 -115.537 -159.089 -115.539 222.498 -88.8696 -159.088 -88.8698 -125.627 GPRESSURE: 3116000 49.757 -88.2538 -43.1214 -198.009 253.669 -22.8574 -196.89 -130.85 -72.1188 PRESSAVG: 3116000 -38.1887 18.4825 -38.3805 18.4825 41.9677 7.03586 -38.3806 7.03576 -22.5459 GPRESSAVG: 3116000 -39.3226 17.4678 -39.8017 20.311 42.5902 7.82634 -34.9965 5.92549 -22.0813 TIMING: 3116000 CPU: 9284.07, 0.00295127/step Wall: 9284.07, 0.00295127/step, 1.5445 hours remaining, 206.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3116000 726.1828 2096.9861 1919.8948 112.3643 -206212.3101 17922.0371 0.0000 0.0000 34077.2015 -149357.6435 297.6047 -183434.8451 -149257.3546 298.5597 44.3891 77.1024 558548.6020 -6.2556 -6.2712 PRESSURE: 3116200 -156.772 116 99.5206 116 4.28664 -165.476 99.5206 -165.477 244.941 GPRESSURE: 3116200 -120.935 71.1777 20.7039 181.071 78.0557 -136.437 135.021 -205.421 233.405 PRESSAVG: 3116200 -90.6534 -44.7583 -16.0632 -44.7583 55.4205 -9.30145 -16.0632 -9.30153 33.5372 GPRESSAVG: 3116200 -90.1625 -43.8138 -14.7472 -47.2921 55.5014 -9.08098 -16.4179 -10.3537 33.2679 TIMING: 3116200 CPU: 9284.66, 0.00296056/step Wall: 9284.66, 0.00296056/step, 1.5492 hours remaining, 206.769531 MB of memory in use. ENERGY: 3116200 725.1452 2134.5223 1923.7974 123.8427 -206490.2827 17824.8239 0.0000 0.0000 34299.0241 -149459.1270 299.5419 -183758.1512 -149362.4656 297.9447 30.8187 63.5088 557194.4058 -0.5652 -0.4644 LDB: ============= START OF LOAD BALANCING ============== 9288.2 LDB: ============== END OF LOAD BALANCING =============== 9288.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9288.21 LDB: ============= START OF LOAD BALANCING ============== 9288.5 LDB: Largest compute 4772 load 0.023633 is 20.0% of average load 0.118169 LDB: Average compute 0.001731 is 1.5% of average load 0.118169 LDB: TIME 9288.5 LOAD: AVG 0.118169 MAX 0.19511 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 9288.5 LOAD: AVG 0.118169 MAX 0.19511 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 9288.5 LOAD: AVG 0.118169 MAX 0.19511 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: ============== END OF LOAD BALANCING =============== 9288.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9288.51 PRESSURE: 3116400 -121.049 66.1695 112.895 66.1696 -236.58 -228.19 112.894 -228.191 -92.7599 GPRESSURE: 3116400 -129.205 76.2266 163.479 125.096 -189.319 -228.297 -13.5549 -178.027 -34.9528 PRESSAVG: 3116400 -96.1184 -24.5218 46.3042 -24.5218 30.2714 -89.587 46.3041 -89.587 36.8412 GPRESSAVG: 3116400 -95.773 -26.205 47.1817 -22.921 28.7584 -90.8691 45.0005 -87.6069 36.9518 TIMING: 3116400 CPU: 9285.26, 0.00298791/step Wall: 9285.26, 0.00298791/step, 1.56334 hours remaining, 206.222656 MB of memory in use. ENERGY: 3116400 786.1929 2105.7503 1914.7430 105.4254 -206237.4708 17713.3677 0.0000 0.0000 34301.7711 -149310.2205 299.5659 -183611.9916 -149209.0163 298.4317 -150.1296 -117.8257 557398.5869 -9.6686 -10.0209 PRESSURE: 3116600 -204.885 -57.5369 46.106 -57.5364 72.8807 112.25 46.1052 112.252 -157.607 GPRESSURE: 3116600 -196.647 -138.219 135.767 -59.9752 94.3771 53.3532 0.402769 159.947 -91.3612 PRESSAVG: 3116600 12.9859 -17.6628 1.50616 -17.6627 27.5354 1.37262 1.50615 1.37258 -15.0892 GPRESSAVG: 3116600 12.0854 -15.9889 -0.308135 -18.7724 27.7608 0.651593 1.88649 1.82768 -14.1961 TIMING: 3116600 CPU: 9285.84, 0.00292864/step Wall: 9285.84, 0.00292864/step, 1.53216 hours remaining, 206.222656 MB of memory in use. ENERGY: 3116600 723.7834 2081.1601 1920.3531 99.3962 -205925.3297 17594.7331 0.0000 0.0000 34334.1881 -149171.7157 299.8490 -183505.9038 -149073.5375 299.7303 -96.5373 -64.5438 558104.2625 8.4774 8.5501 PRESSURE: 3116800 -180.073 54.4982 37.5038 54.4986 -80.0798 21.0607 37.5029 21.0612 -459.839 GPRESSURE: 3116800 -174.807 107.918 -13.0865 56.8795 -23.38 75.303 23.5623 72.0861 -415.049 PRESSAVG: 3116800 -56.0004 13.3639 -14.3007 13.364 36.6718 45.0142 -14.3007 45.0141 2.83826 GPRESSAVG: 3116800 -54.7264 14.5497 -12.3294 10.9097 36.7907 46.8193 -14.7089 44.5493 1.35633 TIMING: 3116800 CPU: 9286.43, 0.00294889/step Wall: 9286.43, 0.00294889/step, 1.5426 hours remaining, 206.222656 MB of memory in use. ENERGY: 3116800 755.5479 2118.9731 1904.3307 110.5994 -206185.2750 17480.6333 0.0000 0.0000 34505.0485 -149310.1421 301.3412 -183815.1906 -149211.9432 299.8103 -239.9973 -204.4119 556930.9063 -5.4968 -5.5265 PRESSURE: 3117000 -215.6 -62.0848 -92.9927 -62.0847 -31.5022 -165.828 -92.992 -165.827 -172.382 GPRESSURE: 3117000 -214.068 39.3409 -37.2038 -20.1891 40.6047 -207.372 -103.315 -174.405 -150.939 PRESSAVG: 3117000 -15.4183 -11.8591 -17.2064 -11.8591 77.8768 2.37466 -17.2065 2.37469 27.2735 GPRESSAVG: 3117000 -16.0404 -14.322 -16.9585 -8.63971 78.6919 2.17996 -18.4152 2.73325 26.9113 TIMING: 3117000 CPU: 9287.02, 0.00295067/step Wall: 9287.02, 0.00295067/step, 1.54336 hours remaining, 206.222656 MB of memory in use. ENERGY: 3117000 769.1111 2089.9271 1933.1905 119.1009 -206161.1662 17650.8786 0.0000 0.0000 34272.3247 -149326.6334 299.3087 -183598.9581 -149226.4339 299.5193 -139.8279 -108.1340 557102.5913 29.9107 29.8543 PRESSURE: 3117200 -210.153 -29.2413 98.6035 -29.2413 -26.0494 113.122 98.6035 113.122 -73.4387 GPRESSURE: 3117200 -167.928 -50.097 16.9884 14.2565 -66.8183 51.29 58.2059 140.585 21.0494 PRESSAVG: 3117200 -22.8716 -20.8629 36.9936 -20.8629 2.36496 81.9741 36.9937 81.9741 -26.1186 GPRESSAVG: 3117200 -23.4374 -18.6278 36.6281 -22.7285 2.55465 82.1891 38.7214 78.5315 -25.4977 TIMING: 3117200 CPU: 9287.61, 0.00294033/step Wall: 9287.61, 0.00294033/step, 1.53779 hours remaining, 206.222656 MB of memory in use. ENERGY: 3117200 741.0350 2056.7995 1976.3267 112.8232 -206101.1760 17791.8452 0.0000 0.0000 34096.2690 -149326.0774 297.7712 -183422.3464 -149232.6887 298.3220 -103.2137 -71.2322 558423.0400 -15.5417 -15.4601 PRESSURE: 3117400 -135.668 6.78592 -59.4499 6.78525 -63.4233 -69.4698 -59.4496 -69.4692 69.8194 GPRESSURE: 3117400 -69.0448 -62.7002 6.01928 85.9692 -64.7155 37.8479 -121.278 -142.125 92.8841 PRESSAVG: 3117400 -38.4943 3.25044 5.59045 3.25056 -9.66668 50.6927 5.59044 50.6927 18.1763 GPRESSAVG: 3117400 -38.6818 2.23515 5.5662 3.94852 -9.11881 52.1099 3.3492 52.1558 17.7964 TIMING: 3117400 CPU: 9288.2, 0.00293025/step Wall: 9288.2, 0.00293025/step, 1.53236 hours remaining, 206.222656 MB of memory in use. ENERGY: 3117400 758.9703 2074.2138 1948.8801 105.8711 -206069.3331 17701.4048 0.0000 0.0000 34355.0173 -149124.9756 300.0309 -183479.9929 -149034.1010 298.9661 -43.0908 -13.6254 556203.9816 -9.9949 -10.0014 PRESSURE: 3117600 -272.796 -111.044 57.5509 -111.045 162.676 98.2418 57.5495 98.2403 17.7255 GPRESSURE: 3117600 -167.689 -69.5799 0.122267 -95.8084 146.98 99.8806 94.0875 43.0654 15.707 PRESSAVG: 3117600 -19.3215 -41.4262 -18.732 -41.4262 55.0918 6.62987 -18.7319 6.62977 -11.7527 GPRESSAVG: 3117600 -18.901 -42.5235 -20.1761 -41.6381 54.7499 4.42553 -16.6762 7.53641 -11.9257 TIMING: 3117600 CPU: 9288.79, 0.00294669/step Wall: 9288.79, 0.00294669/step, 1.54079 hours remaining, 206.222656 MB of memory in use. ENERGY: 3117600 764.2015 2057.1035 1948.6176 90.7705 -206338.0356 17876.8264 0.0000 0.0000 34400.7255 -149199.7907 300.4301 -183600.5161 -149106.5060 299.2730 -30.7982 -1.6672 557278.2723 8.0059 7.9744 PRESSURE: 3117800 147.453 -79.1356 33.6891 -79.1368 -97.0881 38.3342 33.6872 38.3353 -128.608 GPRESSURE: 3117800 195.212 -104.799 99.9611 -41.4176 -85.7849 -26.7245 -84.5829 48.2817 -94.095 PRESSAVG: 3117800 16.0178 54.5618 -22.1914 54.5619 12.4284 14.8797 -22.1914 14.8798 3.72984 GPRESSAVG: 3117800 16.2144 55.9821 -20.4514 54.5575 12.9037 15.2186 -22.7047 13.0021 3.52352 TIMING: 3117800 CPU: 9289.38, 0.00295777/step Wall: 9289.38, 0.00295777/step, 1.54642 hours remaining, 206.222656 MB of memory in use. ENERGY: 3117800 776.1202 2083.9448 1912.6996 126.1395 -206177.5179 17961.1834 0.0000 0.0000 34074.2544 -149243.1760 297.5789 -183317.4304 -149149.6235 299.4860 -26.0810 5.1107 559256.8521 10.7253 10.8806 PRESSURE: 3118000 136.003 39.5123 -65.7762 39.5118 -105.595 -117.151 -65.7767 -117.15 -94.1719 GPRESSURE: 3118000 193.683 10.9504 -75.9558 34.3023 -85.3005 -101.901 -9.02853 -25.76 -64.6924 PRESSAVG: 3118000 48.0084 -72.4523 -14.1213 -72.4524 -0.434325 -23.331 -14.1213 -23.3309 -30.1792 GPRESSAVG: 3118000 47.2678 -73.1463 -16.05 -72.9178 -0.951697 -24.6215 -11.9511 -20.54 -28.8573 TIMING: 3118000 CPU: 9289.98, 0.00299493/step Wall: 9289.98, 0.00299493/step, 1.56568 hours remaining, 206.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3118000 756.2841 2078.3597 1933.2630 104.4660 -206293.8683 17876.2880 0.0000 0.0000 34283.8677 -149261.3399 299.4095 -183545.2076 -149164.5899 298.6659 -21.2546 14.5635 558891.7257 5.7983 5.8196 PRESSURE: 3118200 -226.24 -4.09444 85.7308 -4.09411 -66.6486 113.607 85.7306 113.607 251.931 GPRESSURE: 3118200 -194.147 34.9822 109.012 -27.1255 17.6601 148.104 121.563 106.784 245.525 PRESSAVG: 3118200 -17.7077 2.5844 42.2589 2.58436 -33.6429 54.736 42.2588 54.7361 9.62634 GPRESSAVG: 3118200 -18.1376 2.34339 43.1873 3.93209 -32.4118 54.9095 39.9087 53.984 9.17002 TIMING: 3118200 CPU: 9290.57, 0.00296554/step Wall: 9290.57, 0.00296554/step, 1.55015 hours remaining, 206.222656 MB of memory in use. ENERGY: 3118200 754.5457 2085.8558 1936.7737 124.3483 -206112.3027 17807.5029 0.0000 0.0000 34273.1616 -149130.1149 299.3160 -183403.2764 -149032.1534 298.3814 -13.6523 23.0127 558661.9585 -13.9081 -13.7931 PRESSURE: 3118400 -306.383 -82.4805 23.4895 -82.4816 -152.966 158.44 23.4887 158.441 -118.882 GPRESSURE: 3118400 -283.606 -61.1005 -42.7164 -98.6829 -90.8848 172.666 101.287 112.689 -110.026 PRESSAVG: 3118400 -32.6092 -29.3555 19.5073 -29.3556 37.9498 11.7034 19.5072 11.7035 38.6506 GPRESSAVG: 3118400 -31.0792 -29.6755 18.1348 -29.1868 36.6681 13.0899 20.1373 10.6401 38.4337 TIMING: 3118400 CPU: 9291.16, 0.00292403/step Wall: 9291.16, 0.00292403/step, 1.52829 hours remaining, 206.222656 MB of memory in use. ENERGY: 3118400 740.3433 2061.0480 1935.3376 109.2559 -205570.5001 17496.6337 0.0000 0.0000 34237.5400 -148990.3416 299.0050 -183227.8816 -148892.9161 299.3103 -192.7435 -161.5057 560420.1737 14.6637 14.6742 PRESSURE: 3118600 27.0238 131.638 -16.8512 131.639 146.274 17.8692 -16.8507 17.8701 -76.9866 GPRESSURE: 3118600 34.8516 117.515 -55.1262 235.989 228.865 70.2892 2.62912 -42.9213 -74.5536 PRESSAVG: 3118600 -50.2639 -14.8041 57.438 -14.8041 26.9249 -6.05109 57.4381 -6.05102 39.0407 GPRESSAVG: 3118600 -51.0966 -12.8464 57.6675 -14.6526 28.1673 -3.37495 59.3592 -7.8363 38.9256 TIMING: 3118600 CPU: 9291.74, 0.00292249/step Wall: 9291.74, 0.00292249/step, 1.52733 hours remaining, 206.222656 MB of memory in use. ENERGY: 3118600 716.0609 2090.6677 1924.1452 115.6242 -206048.1645 17880.3678 0.0000 0.0000 34342.9091 -148978.3897 299.9252 -183321.2988 -148881.2896 299.8502 32.1038 63.0544 558928.0416 5.2339 5.3321 PRESSURE: 3118800 30.6603 -54.461 -30.0491 -54.4615 265.131 77.8012 -30.0493 77.8015 32.9671 GPRESSURE: 3118800 79.6871 -88.0355 -72.388 -91.6992 289.809 -27.912 23.7669 104.318 58.8382 PRESSAVG: 3118800 -2.04449 -37.8409 -4.78895 -37.8409 -3.66145 -5.46727 -4.78912 -5.46728 -22.3122 GPRESSAVG: 3118800 -1.93633 -39.2589 -4.69796 -38.6462 -4.87906 -8.05083 -6.59236 -2.87578 -21.4087 TIMING: 3118800 CPU: 9292.33, 0.00292748/step Wall: 9292.33, 0.00292748/step, 1.52977 hours remaining, 206.222656 MB of memory in use. ENERGY: 3118800 758.5903 2051.5226 1950.8405 108.6802 -206201.8762 17887.9854 0.0000 0.0000 34314.9326 -149129.3246 299.6808 -183444.2572 -149036.6400 299.8990 109.5861 142.7781 556799.1222 -9.3394 -9.4080 PRESSURE: 3119000 66.7713 57.7245 -139.903 57.7249 -64.5832 172.126 -139.903 172.128 35.0983 GPRESSURE: 3119000 121.562 38.647 -208.456 98.5462 -30.0368 221.731 -91.4655 157.082 53.6583 PRESSAVG: 3119000 -19.2076 60.8019 -21.9685 60.802 73.2878 -16.1293 -21.9685 -16.1292 -24.9883 GPRESSAVG: 3119000 -20.484 58.8839 -21.5782 61.9423 74.8628 -16.1378 -22.0633 -16.819 -25.1087 TIMING: 3119000 CPU: 9292.92, 0.00295607/step Wall: 9292.92, 0.00295607/step, 1.54455 hours remaining, 206.222656 MB of memory in use. ENERGY: 3119000 755.2116 2096.5058 1952.7734 124.4896 -206303.3946 17837.0873 0.0000 0.0000 34319.8064 -149217.5204 299.7234 -183537.3268 -149126.7818 300.2541 12.4288 48.3944 556546.0634 9.6973 9.7567 PRESSURE: 3119200 -307.125 -62.653 -70.9577 -62.6522 31.4024 85.4766 -70.9568 85.4776 124.093 GPRESSURE: 3119200 -230.414 -72.8895 -105.449 -113.171 45.7611 89.1321 -3.82286 131.205 137.68 PRESSAVG: 3119200 -45.537 25.4115 -100.578 25.4115 5.46217 2.65287 -100.578 2.65288 16.9923 GPRESSAVG: 3119200 -44.7671 28.8984 -99.1373 22.5989 6.26062 5.37118 -101.005 1.29201 15.8922 TIMING: 3119200 CPU: 9293.5, 0.00291785/step Wall: 9293.5, 0.00291785/step, 1.52441 hours remaining, 206.222656 MB of memory in use. ENERGY: 3119200 766.6054 2143.6173 1939.3962 108.4386 -206307.4364 17740.6142 0.0000 0.0000 34214.5476 -149394.2170 298.8042 -183608.7646 -149301.7813 299.2641 -50.5433 -15.6575 556034.6292 -7.6942 -7.5381 PRESSURE: 3119400 -124.215 -9.7749 -168.279 -9.77468 -250.218 -63.8936 -168.277 -63.8942 -53.1067 GPRESSURE: 3119400 -81.0538 25.6504 -238.942 36.8269 -209.65 39.9481 -211.797 -105.009 -42.1674 PRESSAVG: 3119400 -59.0374 46.048 -9.76957 46.0479 80.604 23.1666 -9.76965 23.1666 29.429 GPRESSAVG: 3119400 -58.5532 42.841 -9.63742 49.2315 79.8364 21.1434 -11.0784 26.336 29.9992 TIMING: 3119400 CPU: 9294.09, 0.00292573/step Wall: 9294.09, 0.00292573/step, 1.52837 hours remaining, 206.222656 MB of memory in use. ENERGY: 3119400 751.6174 2093.4277 1963.0551 124.0757 -206289.7195 17618.5361 0.0000 0.0000 34266.0761 -149472.9315 299.2542 -183739.0076 -149376.4434 299.5157 -142.5132 -110.9572 556257.4439 16.9985 17.0941 PRESSURE: 3119600 -165.869 -132.457 109.875 -132.458 -130.689 -3.40668 109.876 -3.40421 72.8151 GPRESSURE: 3119600 -140.972 -143.45 131.219 -108.164 -129.624 44.108 137.361 38.7408 133.698 PRESSAVG: 3119600 -2.37618 37.2981 -15.0313 37.2981 -36.0827 61.2518 -15.0313 61.2518 21.8098 GPRESSAVG: 3119600 -1.87079 37.5235 -16.0159 36.0337 -36.4472 61.0499 -14.0413 60.2378 21.8916 TIMING: 3119600 CPU: 9294.67, 0.00292745/step Wall: 9294.67, 0.00292745/step, 1.5291 hours remaining, 206.222656 MB of memory in use. ENERGY: 3119600 771.7986 2066.7932 1967.7411 111.1559 -206540.2302 17706.9790 0.0000 0.0000 34279.2117 -149636.5507 299.3689 -183915.7624 -149539.9409 298.8053 -74.5810 -45.6331 556642.4840 -5.5497 -5.4754 PRESSURE: 3119800 39.6252 -74.8204 -132.034 -74.8213 -107.545 80.2682 -132.034 80.2655 -398.976 GPRESSURE: 3119800 57.0254 -67.3318 -123.556 -74.8123 -127.393 97.0167 -78.5613 2.22351 -309.579 PRESSAVG: 3119800 -12.2761 46.4763 -21.6394 46.4763 13.8838 -10.7121 -21.6393 -10.7122 29.0237 GPRESSAVG: 3119800 -13.0858 46.9747 -23.2701 48.5565 14.0128 -11.6376 -21.0657 -10.9674 29.3699 TIMING: 3119800 CPU: 9295.26, 0.00294348/step Wall: 9295.26, 0.00294348/step, 1.53731 hours remaining, 206.222656 MB of memory in use. ENERGY: 3119800 740.6706 2109.9316 1947.8880 109.2890 -206299.2649 17702.2082 0.0000 0.0000 34084.9872 -149604.2903 297.6727 -183689.2774 -149509.4471 297.9974 -155.6317 -126.6489 558699.6656 10.2105 10.0990 PRESSURE: 3120000 -234.423 22.9544 -27.7932 22.9563 -208.346 83.0216 -27.7938 83.0209 -280.003 GPRESSURE: 3120000 -190.771 31.7011 -30.9031 126.358 -181.383 -81.8497 -41.3234 220.644 -263.18 PRESSAVG: 3120000 27.0561 18.6678 -5.34947 18.6678 -5.13314 35.1719 -5.34948 35.172 -60.2366 GPRESSAVG: 3120000 27.6846 19.8528 -3.25877 14.7382 -6.14539 35.5581 -5.25416 34.4416 -59.9503 TIMING: 3120000 CPU: 9295.85, 0.00295591/step Wall: 9295.85, 0.00295591/step, 1.54364 hours remaining, 206.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3120000 753.1807 2161.7424 1929.4608 117.4878 -206151.8038 17592.3032 0.0000 0.0000 34071.7615 -149525.8674 297.5572 -183597.6289 -149424.6697 297.5163 -240.9240 -211.7781 559352.2123 -12.7712 -12.8037 PRESSURE: 3120200 -41.585 -90.0342 -96.7824 -90.0346 -116.149 17.811 -96.7821 17.8123 -201.594 GPRESSURE: 3120200 -56.5069 -87.1913 -65.3539 -114.675 -34.6528 96.0032 -81.6943 -4.99637 -179.733 PRESSAVG: 3120200 54.879 -15.0227 22.9177 -15.0227 -10.4086 5.52595 22.9177 5.526 -21.7522 GPRESSAVG: 3120200 54.4874 -16.2823 22.1523 -12.4908 -9.02875 6.101 21.6926 5.1562 -22.5295 TIMING: 3120200 CPU: 9296.45, 0.00297488/step Wall: 9296.45, 0.00297488/step, 1.55338 hours remaining, 206.222656 MB of memory in use. ENERGY: 3120200 714.2475 2105.5560 1955.3825 115.6724 -206021.0919 17584.2361 0.0000 0.0000 33978.6742 -149567.3233 296.7442 -183545.9975 -149471.5015 298.0617 -119.7761 -90.2975 557229.3305 7.5727 7.6431 LDB: ============= START OF LOAD BALANCING ============== 9299.99 LDB: ============== END OF LOAD BALANCING =============== 9299.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9299.99 LDB: ============= START OF LOAD BALANCING ============== 9300.29 LDB: Largest compute 4772 load 0.023459 is 19.9% of average load 0.118173 LDB: Average compute 0.001731 is 1.5% of average load 0.118173 LDB: TIME 9300.29 LOAD: AVG 0.118173 MAX 0.194381 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 9300.29 LOAD: AVG 0.118173 MAX 0.194381 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.285 MB LDB: TIME 9300.29 LOAD: AVG 0.118173 MAX 0.194381 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.285 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9300.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9300.3 PRESSURE: 3120400 -92.1967 79.6259 210.669 79.6263 -194.855 24.1607 210.667 24.1619 36.0039 GPRESSURE: 3120400 32.9789 24.5483 207.452 83.9026 -188.545 6.95487 111.734 135.493 5.48784 PRESSAVG: 3120400 17.6559 -3.13509 20.1777 -3.13521 9.16636 28.9859 20.1777 28.9859 21.4923 GPRESSAVG: 3120400 17.3851 -0.938044 21.0785 -2.9897 8.84156 28.6358 20.6832 29.9679 21.8715 TIMING: 3120400 CPU: 9297.05, 0.00299885/step Wall: 9297.05, 0.00299885/step, 1.56573 hours remaining, 207.972656 MB of memory in use. ENERGY: 3120400 794.6526 2103.7996 1961.5225 104.1803 -206757.7835 17957.6485 0.0000 0.0000 34380.9689 -149455.0112 300.2576 -183835.9801 -149356.0431 298.8187 -83.6827 -50.0259 557515.2583 16.1049 16.0327 PRESSURE: 3120600 -40.5158 -5.48014 -27.8859 -5.47924 86.5604 -93.201 -27.8862 -93.1992 -175.652 GPRESSURE: 3120600 40.5096 -28.7812 -130.781 -25.3058 53.2818 -96.4668 -16.6396 -147.052 -118.326 PRESSAVG: 3120600 5.48539 41.2829 54.5098 41.2829 -2.31927 -23.6122 54.5098 -23.6121 -29.3549 GPRESSAVG: 3120600 6.02272 39.653 52.3674 41.5926 -2.946 -24.7783 55.4759 -23.3341 -29.4812 TIMING: 3120600 CPU: 9297.63, 0.0029132/step Wall: 9297.63, 0.0029132/step, 1.52085 hours remaining, 207.972656 MB of memory in use. ENERGY: 3120600 728.0416 2060.7625 1941.5350 117.6776 -205859.6990 17698.4157 0.0000 0.0000 34006.7162 -149306.5503 296.9891 -183313.2665 -149214.9175 299.0804 -43.2024 -8.1782 559159.4817 -8.7296 -8.8015 PRESSURE: 3120800 -137.2 -139.882 50.4646 -139.882 29.4914 28.4394 50.4653 28.4426 -133.123 GPRESSURE: 3120800 -114.107 -272.203 4.20057 -133.392 37.9335 68.5596 184.752 32.4305 -50.7707 PRESSAVG: 3120800 3.55863 -18.1037 9.53774 -18.1037 -26.3195 -84.3712 9.53769 -84.3712 -0.580879 GPRESSAVG: 3120800 2.82213 -18.7942 10.4024 -17.4867 -26.8003 -83.2154 8.77882 -83.9953 0.457748 TIMING: 3120800 CPU: 9298.22, 0.0029496/step Wall: 9298.22, 0.0029496/step, 1.53969 hours remaining, 207.972656 MB of memory in use. ENERGY: 3120800 760.5236 2102.4050 1931.3228 122.7575 -206036.6439 17711.1814 0.0000 0.0000 34180.5385 -149227.9151 298.5071 -183408.4536 -149136.2133 298.5016 -80.2771 -42.3147 558335.9959 -7.7806 -7.8401 PRESSURE: 3121000 -40.5681 44.4212 -84.8476 44.4206 -137.892 -28.8173 -84.8464 -28.8169 -60.8565 GPRESSURE: 3121000 12.0022 107.454 -143.034 -49.6192 -146.574 -57.7997 -67.0042 25.2173 -9.49338 PRESSAVG: 3121000 70.2067 -28.0237 39.7519 -28.0237 -41.1733 -24.3489 39.7519 -24.349 -2.83466 GPRESSAVG: 3121000 70.0038 -25.658 39.6558 -28.8084 -40.9366 -26.2097 38.7706 -24.027 -3.33542 TIMING: 3121000 CPU: 9298.81, 0.00296922/step Wall: 9298.81, 0.00296922/step, 1.54977 hours remaining, 207.972656 MB of memory in use. ENERGY: 3121000 733.5381 2099.5395 1941.2745 124.2904 -205890.2699 17629.9780 0.0000 0.0000 34200.4818 -149161.1677 298.6813 -183361.6494 -149065.3284 299.1534 -79.7721 -48.0219 558079.8938 8.7329 8.5773 PRESSURE: 3121200 -131.686 -158.672 -19.4106 -158.672 237.875 101.25 -19.4115 101.249 13.0908 GPRESSURE: 3121200 -85.4776 -116.992 51.3176 -226.723 262.429 47.7517 -32.1094 125.975 37.8982 PRESSAVG: 3121200 0.426729 -24.947 35.0769 -24.9471 -1.29217 -0.988901 35.0769 -0.98875 -15.4434 GPRESSAVG: 3121200 0.791904 -25.3788 37.3285 -26.5829 -1.49595 2.00504 34.7911 -1.47636 -15.9 TIMING: 3121200 CPU: 9299.41, 0.00298258/step Wall: 9299.41, 0.00298258/step, 1.55658 hours remaining, 207.972656 MB of memory in use. ENERGY: 3121200 747.6388 2140.3711 1966.0306 116.6897 -206099.4937 17735.3560 0.0000 0.0000 34356.9609 -149036.4465 300.0479 -183393.4074 -148946.6377 299.3980 39.7600 71.6165 555749.3667 -5.4363 -5.5347 PRESSURE: 3121400 -47.1231 79.4291 -30.6247 79.4289 -148.621 -39.7303 -30.6255 -39.7316 -57.466 GPRESSURE: 3121400 -45.1179 -17.6918 5.83474 167.644 -89.2874 -34.0539 -53.7381 -14.645 -10.9623 PRESSAVG: 3121400 -34.3222 -40.5404 14.565 -40.5405 71.5406 23.2877 14.565 23.2877 11.7263 GPRESSAVG: 3121400 -34.6237 -41.4088 13.7284 -38.2929 70.809 23.4025 15.2953 21.8602 12.8852 TIMING: 3121400 CPU: 9300, 0.00297069/step Wall: 9300, 0.00297069/step, 1.55021 hours remaining, 207.972656 MB of memory in use. ENERGY: 3121400 782.1886 2095.9290 1933.3668 110.9811 -205975.4905 17760.5292 0.0000 0.0000 34266.3234 -149026.1724 299.2563 -183292.4957 -148928.6580 299.2388 -84.4035 -48.4559 557359.7242 16.3149 16.3568 PRESSURE: 3121600 303.382 -28.0059 47.7571 -28.005 67.9445 35.8745 47.7575 35.8734 201.471 GPRESSURE: 3121600 340.655 41.656 -10.8512 -76.3286 112.931 69.1689 113.16 -22.6621 215.193 PRESSAVG: 3121600 45.0267 -8.07389 78.2831 -8.07388 49.5001 -35.9797 78.2831 -35.9798 -51.7703 GPRESSAVG: 3121600 44.9544 -9.03405 77.1643 -8.39713 50.8409 -35.3899 78.4416 -35.5294 -53.2554 TIMING: 3121600 CPU: 9300.59, 0.00293882/step Wall: 9300.59, 0.00293882/step, 1.53341 hours remaining, 207.972656 MB of memory in use. ENERGY: 3121600 716.6578 2100.4510 1930.1118 120.0558 -206221.6755 17978.8111 0.0000 0.0000 34420.0127 -148955.5752 300.5985 -183375.5880 -148849.6304 299.9246 190.9326 222.9267 557814.2125 14.2522 14.1800 PRESSURE: 3121800 117.867 22.6413 -51.5667 22.6399 -95.6801 -97.0497 -51.5674 -97.0504 325.412 GPRESSURE: 3121800 152.859 11.9472 8.01107 -31.9924 -33.8795 -87.4441 -64.9336 -47.3031 326.039 PRESSAVG: 3121800 25.6096 26.8293 24.0291 26.8293 -40.5198 14.4998 24.0289 14.4997 16.2036 GPRESSAVG: 3121800 25.6171 27.7283 21.4463 26.5397 -42.449 11.8867 24.7303 14.7162 17.9784 TIMING: 3121800 CPU: 9301.18, 0.00296509/step Wall: 9301.18, 0.00296509/step, 1.54695 hours remaining, 207.972656 MB of memory in use. ENERGY: 3121800 776.9858 2115.2593 1938.9154 111.4433 -206267.5669 17828.6275 0.0000 0.0000 34220.4727 -149275.8630 298.8559 -183496.3357 -149176.5015 299.1928 115.8664 148.3397 555392.2097 0.4311 0.3822 PRESSURE: 3122000 78.3455 171.883 298.158 171.884 267.914 -13.7884 298.157 -13.7884 220.427 GPRESSURE: 3122000 120.481 270.5 299.995 93.3328 331.184 -36.7927 246.325 45.5578 214.373 PRESSAVG: 3122000 -24.0173 20.5723 -9.99554 20.5724 21.1989 14.5486 -9.9956 14.5486 29.122 GPRESSAVG: 3122000 -24.7472 21.7861 -6.80344 21.2345 22.3458 16.7238 -10.4133 13.5542 29.2993 TIMING: 3122000 CPU: 9301.77, 0.00294915/step Wall: 9301.77, 0.00294915/step, 1.53847 hours remaining, 207.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3122000 758.1356 2069.3994 1940.6395 111.5923 -206328.0427 18042.7113 0.0000 0.0000 34143.1898 -149262.3748 298.1810 -183405.5646 -149156.9737 298.1025 188.8954 222.0126 555891.6933 8.7679 8.9660 PRESSURE: 3122200 -138.749 -41.2511 -24.4379 -41.2501 26.7956 -127.206 -24.4348 -127.207 -88.5645 GPRESSURE: 3122200 -145.645 -63.5108 55.573 21.5321 121.594 -164.753 -102.894 -121.02 -71.7829 PRESSAVG: 3122200 -31.8742 21.1338 1.8762 21.1337 -16.3927 -47.1798 1.87615 -47.1797 32.673 GPRESSAVG: 3122200 -31.4332 22.1839 2.63877 17.7012 -14.8688 -47.842 -0.0605457 -47.7252 31.2741 TIMING: 3122200 CPU: 9302.36, 0.00295323/step Wall: 9302.36, 0.00295323/step, 1.54044 hours remaining, 207.972656 MB of memory in use. ENERGY: 3122200 711.7737 2071.2610 1930.6166 124.4515 -205904.6378 17616.1928 0.0000 0.0000 34386.4724 -149063.8697 300.3056 -183450.3421 -148969.6772 298.9064 -66.8391 -31.9445 557710.1330 -5.1980 -5.0093 PRESSURE: 3122400 25.0075 -2.03306 50.9237 -2.03401 -165.038 -42.0654 50.9237 -42.0652 60.4546 GPRESSURE: 3122400 106.453 -44.0598 88.715 -20.5339 -156.269 -139.644 58.7565 11.1638 81.7749 PRESSAVG: 3122400 17.7722 19.5027 21.8114 19.5027 8.0111 18.6437 21.8113 18.6437 12.2377 GPRESSAVG: 3122400 18.4068 17.7682 20.3007 23.4288 8.18902 20.2186 21.4162 17.9907 11.6452 TIMING: 3122400 CPU: 9302.95, 0.00294477/step Wall: 9302.95, 0.00294477/step, 1.53586 hours remaining, 207.972656 MB of memory in use. ENERGY: 3122400 778.5706 2094.8548 1981.9736 115.4565 -206048.7410 17817.9355 0.0000 0.0000 34257.3596 -149002.5903 299.1780 -183259.9499 -148911.6043 299.6709 -26.5252 10.6529 556937.0665 12.6737 12.7470 PRESSURE: 3122600 -78.2995 -5.91433 -113.767 -5.91399 -181.675 -78.5696 -113.768 -78.5709 54.2764 GPRESSURE: 3122600 -72.4376 -47.2569 -98.5187 -48.9664 -118.92 -24.2605 -50.1847 -78.8745 81.1939 PRESSAVG: 3122600 -37.2758 -11.005 21.8831 -11.005 -75.7132 8.26792 21.8832 8.26807 103.168 GPRESSAVG: 3122600 -38.5405 -10.6667 22.4373 -10.7434 -75.5572 8.66075 23.2807 9.49246 104.088 TIMING: 3122600 CPU: 9303.55, 0.00295718/step Wall: 9303.55, 0.00295718/step, 1.54217 hours remaining, 207.972656 MB of memory in use. ENERGY: 3122600 744.8456 2124.5382 1941.0865 99.7948 -205667.6634 17496.9617 0.0000 0.0000 34243.2248 -149017.2117 299.0546 -183260.4365 -148917.5792 299.6089 -68.5659 -36.7213 557261.9213 -3.2737 -3.3364 PRESSURE: 3122800 -138.423 -99.0442 91.5031 -99.0438 91.8168 -72.9827 91.5043 -72.983 592.02 GPRESSURE: 3122800 -69.8323 -21.5247 -41.106 -109.906 173.636 -40.4125 139.176 -35.926 536.724 PRESSAVG: 3122800 27.7806 -2.82974 -15.9342 -2.82972 -44.1146 4.0902 -15.9342 4.0902 3.25512 GPRESSAVG: 3122800 26.5049 -2.9953 -16.0083 -4.10182 -44.3634 3.1642 -16.3195 4.77832 4.16336 TIMING: 3122800 CPU: 9304.13, 0.00294905/step Wall: 9304.13, 0.00294905/step, 1.53777 hours remaining, 207.972656 MB of memory in use. ENERGY: 3122800 749.8744 2036.1551 1941.7305 109.8953 -206476.5912 18259.3669 0.0000 0.0000 34431.1439 -148948.4250 300.6957 -183379.5689 -148849.6768 299.7645 181.8047 213.5091 557488.0429 -4.3596 -4.5651 PRESSURE: 3123000 -170.348 81.7949 103.723 81.7948 -108.08 -96.854 103.724 -96.853 90.8468 GPRESSURE: 3123000 -84.6083 47.4566 73.6246 113.184 -30.3709 -58.4586 87.0876 -165.563 39.2462 PRESSAVG: 3123000 -3.44965 38.171 -1.48462 38.171 -10.3276 16.2473 -1.48458 16.2474 95.021 GPRESSAVG: 3123000 -2.1561 40.2442 -1.84215 37.3574 -10.6608 15.7871 -1.92327 17.7385 93.9843 TIMING: 3123000 CPU: 9304.73, 0.00296503/step Wall: 9304.73, 0.00296503/step, 1.54594 hours remaining, 207.972656 MB of memory in use. ENERGY: 3123000 752.6090 2062.4109 1946.5759 107.0632 -205922.8128 17715.8688 0.0000 0.0000 34483.4710 -148854.8141 301.1527 -183338.2851 -148755.3777 300.4827 -62.5270 -25.2444 558417.3239 27.0812 27.0558 PRESSURE: 3123200 107.124 125.713 -57.3107 125.713 -10.9314 16.2168 -57.3115 16.2188 30.4324 GPRESSURE: 3123200 147.877 142.024 -24.636 117.678 -27.4283 -13.8897 -100.206 -28.611 108.381 PRESSAVG: 3123200 -32.1303 -1.34979 -6.96601 -1.34976 41.984 -45.9654 -6.96611 -45.9653 43.3891 GPRESSAVG: 3123200 -32.6181 -4.06318 -5.33222 -0.14901 42.8736 -48.149 -5.7824 -47.5049 43.1771 TIMING: 3123200 CPU: 9305.32, 0.00296954/step Wall: 9305.32, 0.00296954/step, 1.54812 hours remaining, 208.015625 MB of memory in use. ENERGY: 3123200 764.9398 2086.3883 1928.4833 124.2531 -206328.9895 17906.2163 0.0000 0.0000 34607.3835 -148911.3252 302.2349 -183518.7087 -148809.5311 300.7549 42.2085 76.2765 555448.9873 17.7476 17.8109 PRESSURE: 3123400 -215.18 57.5399 59.0661 57.5395 -134.905 -103.271 59.0661 -103.27 112.228 GPRESSURE: 3123400 -217.112 97.1566 39.8816 53.3464 -86.4971 -124.166 120.582 -35.651 163.546 PRESSAVG: 3123400 -74.3713 35.6698 21.9724 35.6698 -19.6485 53.8565 21.9724 53.8566 108.058 GPRESSAVG: 3123400 -73.7026 35.9016 20.3892 34.6396 -21.5197 54.9474 23.1341 52.9274 109.424 TIMING: 3123400 CPU: 9305.91, 0.00291908/step Wall: 9305.91, 0.00291908/step, 1.52165 hours remaining, 208.015625 MB of memory in use. ENERGY: 3123400 749.3048 2088.3026 1963.4875 110.7786 -205666.9441 17473.7524 0.0000 0.0000 34319.0352 -148962.2831 299.7167 -183281.3183 -148865.3910 300.0357 -79.2855 -46.6877 556786.7984 4.6793 4.7340 PRESSURE: 3123600 -405.397 108.767 -16.4335 108.766 -124.175 10.5998 -16.4342 10.5993 -190.406 GPRESSURE: 3123600 -350.275 144.687 2.67699 64.5906 -101.548 -14.4115 -63.499 61.2614 -172.091 PRESSAVG: 3123600 -17.2052 21.2093 14.5428 21.2094 -46.2795 18.2457 14.5428 18.2456 -0.758951 GPRESSAVG: 3123600 -17.277 22.5387 13.1638 20.4477 -45.3258 20.2924 14.1399 17.9265 -1.48882 TIMING: 3123600 CPU: 9306.49, 0.00292663/step Wall: 9306.49, 0.00292663/step, 1.52543 hours remaining, 208.015625 MB of memory in use. ENERGY: 3123600 752.0747 2085.9997 1935.3077 111.5647 -205379.5361 17244.4684 0.0000 0.0000 34296.0391 -148954.0818 299.5158 -183250.1209 -148862.0439 300.0216 -239.9926 -207.9713 557737.2665 -21.4146 -21.3639 PRESSURE: 3123800 -103.852 -23.9506 15.1981 -23.9501 -27.2949 -91.7144 15.1978 -91.7135 -195.773 GPRESSURE: 3123800 -48.1008 -14.0249 15.4608 -66.2754 -29.1419 18.7561 14.8223 -93.8632 -166.376 PRESSAVG: 3123800 -18.8387 -19.4257 -5.52567 -19.4258 10.9579 -17.3787 -5.5256 -17.3788 -4.72933 GPRESSAVG: 3123800 -18.7036 -21.4466 -4.77917 -18.4187 10.8522 -18.7245 -5.83979 -18.6162 -4.24161 TIMING: 3123800 CPU: 9307.08, 0.00293587/step Wall: 9307.08, 0.00293587/step, 1.53008 hours remaining, 208.015625 MB of memory in use. ENERGY: 3123800 735.7375 2037.7204 1935.3121 116.4066 -205747.0156 17558.6293 0.0000 0.0000 34467.0412 -148896.1685 301.0092 -183363.2097 -148797.2305 299.9663 -108.9731 -81.2063 555949.1489 -4.2034 -4.0310 PRESSURE: 3124000 -56.1076 165.55 34.7372 165.55 -177.416 15.9717 34.7373 15.9727 63.0093 GPRESSURE: 3124000 -42.9497 145.58 92.6298 193.938 -175.06 29.276 12.4702 -1.10491 143.638 PRESSAVG: 3124000 -27.8631 53.778 -50.6256 53.778 16.9453 -9.81268 -50.6256 -9.81261 35.5873 GPRESSAVG: 3124000 -27.8515 55.7129 -52.1715 54.2473 16.3925 -9.73287 -51.4627 -7.88069 36.6151 TIMING: 3124000 CPU: 9307.67, 0.00294645/step Wall: 9307.67, 0.00294645/step, 1.53543 hours remaining, 208.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3124000 749.3001 2083.1261 1936.9930 108.8588 -205494.7646 17627.5567 0.0000 0.0000 34254.4656 -148734.4643 299.1528 -182988.9299 -148631.2119 300.4391 -56.8381 -24.7907 558134.1631 8.2232 8.3854 PRESSURE: 3124200 50.0799 83.8242 106.682 83.8226 13.1384 27.0237 106.682 27.0243 80.2638 GPRESSURE: 3124200 91.2273 98.0396 -2.9421 177.215 53.0481 109.788 83.1023 11.9928 92.8126 PRESSAVG: 3124200 3.87887 22.985 -14.3334 22.985 -56.3217 -6.54142 -14.3334 -6.54145 33.1169 GPRESSAVG: 3124200 4.29189 23.6656 -14.4795 22.0496 -56.203 -8.0946 -14.9798 -7.02653 32.3167 TIMING: 3124200 CPU: 9308.25, 0.00292571/step Wall: 9308.25, 0.00292571/step, 1.52446 hours remaining, 208.015625 MB of memory in use. ENERGY: 3124200 743.9865 2092.4582 1957.2795 103.7518 -206009.1997 17770.3976 0.0000 0.0000 34552.1608 -148789.1653 301.7526 -183341.3261 -148685.3483 300.7647 47.8274 79.0293 557645.1479 -6.4420 -6.5315 LDB: ============= START OF LOAD BALANCING ============== 9311.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9311.8 LDB: =============== DONE WITH MIGRATION ================ 9311.8 LDB: ============= START OF LOAD BALANCING ============== 9312.09 LDB: Largest compute 4802 load 0.023604 is 20.0% of average load 0.118207 LDB: Average compute 0.001730 is 1.5% of average load 0.118207 LDB: TIME 9312.1 LOAD: AVG 0.118207 MAX 0.196736 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.027 MB LDB: TIME 9312.1 LOAD: AVG 0.118207 MAX 0.196736 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.027 MB LDB: TIME 9312.1 LOAD: AVG 0.118207 MAX 0.196736 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.027 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9312.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9312.1 PRESSURE: 3124400 45.2136 50.1896 120.53 50.1886 123.971 102.786 120.529 102.784 136.738 GPRESSURE: 3124400 75.5644 47.6026 257.08 102.293 108.001 201.96 17.9881 23.407 209.525 PRESSAVG: 3124400 23.2468 83.2861 43.2629 83.286 -15.789 -2.66897 43.2628 -2.66898 33.8294 GPRESSAVG: 3124400 23.9271 82.9997 43.5429 83.1023 -15.3974 -0.247594 43.3171 -2.89059 32.8033 TIMING: 3124400 CPU: 9308.85, 0.00300109/step Wall: 9308.85, 0.00300109/step, 1.56357 hours remaining, 208.015625 MB of memory in use. ENERGY: 3124400 757.4240 2084.9317 1925.4861 120.4759 -205954.8456 17871.3169 0.0000 0.0000 34226.0984 -148969.1125 298.9050 -183195.2109 -148873.5358 300.4545 101.9744 131.0302 557935.6877 13.7624 13.7777 PRESSURE: 3124600 20.1546 -3.21633 -83.1244 -3.21532 -20.9453 -13.4925 -83.1266 -13.4922 200.329 GPRESSURE: 3124600 110.915 15.5011 -70.1558 -50.7507 -6.19714 -44.8512 -129.885 24.6979 188.597 PRESSAVG: 3124600 48.0655 -16.7064 51.0181 -16.7065 -41.1451 -30.6207 51.018 -30.6207 28.0666 GPRESSAVG: 3124600 47.3777 -16.5542 51.1005 -18.4014 -40.9495 -30.8867 51.0832 -32.0312 28.8816 TIMING: 3124600 CPU: 9309.44, 0.00295509/step Wall: 9309.44, 0.00295509/step, 1.53944 hours remaining, 208.015625 MB of memory in use. ENERGY: 3124600 736.8874 2103.2410 1922.8286 112.2166 -206268.5461 17847.3077 0.0000 0.0000 34195.9174 -149350.1474 298.6415 -183546.0648 -149263.1853 299.1885 66.5126 97.7717 557730.3679 11.6623 11.7699 PRESSURE: 3124800 40.5638 -131.85 -85.7859 -131.849 -280.142 48.1769 -85.785 48.1763 72.2483 GPRESSURE: 3124800 68.8636 -111.761 -111.37 -100.811 -218.688 41.6518 -176.106 26.5045 82.002 PRESSAVG: 3124800 15.6115 1.61202 16.8887 1.61199 -27.7242 -56.7658 16.8888 -56.7658 33.6943 GPRESSAVG: 3124800 16.2631 1.50492 18.5883 4.62388 -27.4351 -56.2803 17.1901 -54.5491 32.4714 TIMING: 3124800 CPU: 9310.04, 0.00295921/step Wall: 9310.04, 0.00295921/step, 1.54142 hours remaining, 208.015625 MB of memory in use. ENERGY: 3124800 751.3226 2046.9855 1940.3544 130.8769 -205807.4436 17653.1763 0.0000 0.0000 34097.3714 -149187.3566 297.7808 -183284.7280 -149095.8076 298.6368 -55.7766 -22.6075 559674.5083 7.1939 7.0998 PRESSURE: 3125000 393.772 -0.99406 3.88867 -0.995036 85.7443 156.438 3.88769 156.438 -172.091 GPRESSURE: 3125000 457.763 -71.8513 64.4833 38.4924 121.736 188.462 26.3137 162.373 -173.864 PRESSAVG: 3125000 32.8942 10.0224 34.0804 10.0225 -5.14638 26.2543 34.0803 26.2543 -47.0473 GPRESSAVG: 3125000 33.1715 8.00399 33.8831 11.7159 -5.71233 24.5372 33.9352 23.8977 -46.6794 TIMING: 3125000 CPU: 9310.63, 0.00296502/step Wall: 9310.63, 0.00296502/step, 1.54428 hours remaining, 208.050781 MB of memory in use. ENERGY: 3125000 712.8040 2092.7967 1960.5292 111.7369 -206107.0424 17887.0210 0.0000 0.0000 34209.3947 -149132.7598 298.7592 -183342.1545 -149030.9384 299.1138 102.4752 135.2118 557520.5181 -6.4332 -6.4067 PRESSURE: 3125200 -135.887 -48.9805 -153.424 -48.9796 -112.424 114.536 -153.424 114.535 -136.157 GPRESSURE: 3125200 -92.7838 -63.0665 -65.7688 -47.9381 -42.3998 28.4486 -107.526 123.841 -140.573 PRESSAVG: 3125200 -2.52123 9.21713 -13.7661 9.2171 5.12404 -27.4034 -13.7661 -27.4036 -4.45758 GPRESSAVG: 3125200 -4.26158 10.8957 -11.7124 7.88445 5.85705 -27.1918 -14.3621 -25.6349 -3.29761 TIMING: 3125200 CPU: 9311.22, 0.00295985/step Wall: 9311.22, 0.00295984/step, 1.54142 hours remaining, 208.050781 MB of memory in use. ENERGY: 3125200 783.8749 2115.2525 1963.7276 111.7033 -205927.9206 17574.7144 0.0000 0.0000 34172.3357 -149206.3121 298.4355 -183378.6478 -149105.9897 299.5822 -128.1559 -91.9189 557663.3746 -0.6183 -0.5674 PRESSURE: 3125400 -137.221 -115.274 -17.9853 -115.273 -186.835 63.4624 -17.9849 63.4627 -188.388 GPRESSURE: 3125400 -86.2276 -42.3387 -60.6503 -154.091 -207.532 97.422 -38.134 29.2132 -128.022 PRESSAVG: 3125400 -42.7292 -5.19652 -44.6064 -5.19654 23.9667 -31.0047 -44.6063 -31.0045 39.782 GPRESSAVG: 3125400 -41.6179 -5.45957 -46.8793 -7.02427 23.5463 -30.6493 -44.597 -30.4237 38.6705 TIMING: 3125400 CPU: 9311.81, 0.00294027/step Wall: 9311.81, 0.00294027/step, 1.53106 hours remaining, 208.050781 MB of memory in use. ENERGY: 3125400 766.6714 2163.9775 1955.8299 109.0243 -205908.5680 17496.0454 0.0000 0.0000 34258.4292 -149158.5902 299.1874 -183417.0194 -149068.1468 299.2592 -170.8149 -140.5937 557067.1529 7.0065 6.8663 PRESSURE: 3125600 42.1548 140.771 -163.125 140.771 -173.364 -123.055 -163.125 -123.055 -110.365 GPRESSURE: 3125600 82.5694 140.858 -172.414 149.212 -158.219 -64.9191 -19.2403 -104.3 -75.6724 PRESSAVG: 3125600 43.4747 -24.8676 -26.0807 -24.8675 -12.7374 -8.85207 -26.0808 -8.85206 -27.2434 GPRESSAVG: 3125600 42.7569 -25.4583 -25.206 -23.4283 -13.2108 -9.64377 -25.7037 -7.72401 -26.2832 TIMING: 3125600 CPU: 9312.39, 0.00292833/step Wall: 9312.39, 0.00292833/step, 1.52468 hours remaining, 208.050781 MB of memory in use. ENERGY: 3125600 754.0506 2108.1244 1912.9070 130.7265 -206178.1949 17810.4950 0.0000 0.0000 34389.0858 -149072.8055 300.3284 -183461.8914 -148974.8574 300.0947 -80.5248 -50.4407 557462.5798 1.1646 1.0876 PRESSURE: 3125800 82.7266 10.5131 -3.64479 10.5139 157.901 -53.8459 -3.64489 -53.8464 119.602 GPRESSURE: 3125800 112.934 20.0547 -54.3259 -15.5363 163.595 -121.535 -9.7154 -12.0642 190.457 PRESSAVG: 3125800 -3.60676 -9.19938 -45.7813 -9.19938 30.1976 2.24971 -45.7812 2.24976 -8.53384 GPRESSAVG: 3125800 -3.57828 -7.65259 -47.5105 -9.4076 31.5668 2.14235 -44.7515 0.596253 -9.698 TIMING: 3125800 CPU: 9312.98, 0.00294362/step Wall: 9312.98, 0.00294362/step, 1.53248 hours remaining, 208.050781 MB of memory in use. ENERGY: 3125800 752.2880 2057.7095 1919.3595 128.9935 -206237.1529 17819.8705 0.0000 0.0000 34577.4291 -148981.5027 301.9733 -183558.9319 -148885.2781 299.6009 120.0764 155.6619 558434.7238 6.0190 6.0968 PRESSURE: 3126000 -28.6834 -12.2407 -26.0811 -12.2393 -9.01297 27.5754 -26.0824 27.5752 -364.785 GPRESSURE: 3126000 -11.6378 -25.3375 46.7532 4.03187 42.1871 31.5847 -139.287 66.2849 -315.491 PRESSAVG: 3126000 -39.9827 -23.7201 24.6522 -23.7201 24.3562 10.3849 24.6522 10.385 -43.8183 GPRESSAVG: 3126000 -38.9339 -24.7005 25.4043 -24.5383 23.8999 11.124 24.1719 9.13609 -44.4071 TIMING: 3126000 CPU: 9313.57, 0.00292952/step Wall: 9313.57, 0.00292952/step, 1.52498 hours remaining, 208.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3126000 759.6324 2093.3032 1939.7523 119.4909 -205944.5172 17636.3822 0.0000 0.0000 34394.4978 -149001.4583 300.3757 -183395.9562 -148907.1485 299.8637 -134.1605 -94.9805 558160.0067 -19.8149 -19.8137 PRESSURE: 3126200 168.927 100.357 4.88529 100.357 -24.206 40.5316 4.88503 40.5328 42.8216 GPRESSURE: 3126200 173.324 165.694 -5.61436 95.122 69.1183 70.5242 9.45693 30.8558 61.0198 PRESSAVG: 3126200 -35.8255 -68.3654 -34.0943 -68.3654 -14.469 28.9707 -34.0943 28.9705 63.253 GPRESSAVG: 3126200 -35.97 -67.9952 -33.4083 -67.6162 -14.0537 31.213 -35.2371 27.808 62.7869 TIMING: 3126200 CPU: 9314.16, 0.00294401/step Wall: 9314.16, 0.00294401/step, 1.53236 hours remaining, 208.050781 MB of memory in use. ENERGY: 3126200 768.3327 2066.9341 1932.4927 115.9242 -206227.5139 17926.6991 0.0000 0.0000 34360.1924 -149056.9387 300.0761 -183417.1311 -148959.2153 299.5001 62.5143 101.1541 556861.9479 4.3195 4.2544 PRESSURE: 3126400 -32.1268 154.803 233.577 154.802 -61.14 -106.036 233.576 -106.037 101.849 GPRESSURE: 3126400 -12.1762 131.72 272.251 104.872 -0.102455 -124.942 230.518 -52.3678 119.031 PRESSAVG: 3126400 22.02 -39.0605 -4.5749 -39.0605 -43.9184 4.43723 -4.57497 4.43733 -1.6345 GPRESSAVG: 3126400 21.6397 -38.9794 -4.85184 -40.6623 -45.1141 0.854752 -4.58786 6.82007 0.204277 TIMING: 3126400 CPU: 9314.74, 0.00293414/step Wall: 9314.74, 0.00293414/step, 1.52706 hours remaining, 208.253906 MB of memory in use. ENERGY: 3126400 789.5276 2028.1648 1917.4314 118.7220 -206060.9451 17853.0887 0.0000 0.0000 34327.8221 -149026.1885 299.7934 -183354.0106 -148928.2622 300.1532 2.8607 35.5840 558844.0541 -7.8443 -7.7567 PRESSURE: 3126600 -225.526 -189.475 216.863 -189.476 -8.99675 -71.5181 216.863 -71.5169 -184.159 GPRESSURE: 3126600 -110.083 -261.176 225.393 -164.489 -39.8949 -47.4153 172.73 -109.219 -184.918 PRESSAVG: 3126600 34.6826 -32.5217 62.1463 -32.5216 31.0622 6.21583 62.1463 6.2158 -80.8954 GPRESSAVG: 3126600 35.1001 -32.186 60.4397 -31.6887 32.5532 7.82979 63.8375 5.59941 -83.1749 TIMING: 3126600 CPU: 9315.33, 0.00293561/step Wall: 9315.33, 0.00293561/step, 1.52766 hours remaining, 208.253906 MB of memory in use. ENERGY: 3126600 750.4022 2124.5924 1936.6235 110.2243 -205908.3758 17578.0521 0.0000 0.0000 34369.3118 -149039.1695 300.1557 -183408.4813 -148935.3669 299.7180 -139.5606 -111.6318 556956.1423 -5.0502 -5.1739 PRESSURE: 3126800 -262.214 95.5725 42.9736 95.5723 -251.72 17.2013 42.9721 17.2001 -302.824 GPRESSURE: 3126800 -160.469 89.4068 46.7054 74.3389 -275.143 85.5245 23.4004 -39.8783 -291.623 PRESSAVG: 3126800 17.6278 -8.79297 41.0017 -8.79294 23.123 -57.0193 41.0017 -57.0192 -25.2062 GPRESSAVG: 3126800 17.4277 -10.5914 43.0857 -7.84725 21.9011 -57.3968 38.0906 -58.2011 -24.197 TIMING: 3126800 CPU: 9315.92, 0.00295256/step Wall: 9315.92, 0.00295256/step, 1.53631 hours remaining, 208.253906 MB of memory in use. ENERGY: 3126800 759.7158 2072.5432 1951.6854 110.3343 -205564.2649 17301.8049 0.0000 0.0000 34324.9725 -149043.2088 299.7685 -183368.1813 -148943.6053 299.9525 -272.2524 -242.4117 558134.0730 5.1815 5.0439 PRESSURE: 3127000 54.0177 -48.0145 51.5779 -48.016 -268.568 -12.9614 51.5792 -12.9618 -179.703 GPRESSURE: 3127000 54.826 48.4823 -40.9971 5.55381 -182.707 -19.144 -3.57447 0.872278 -171.293 PRESSAVG: 3127000 -10.0323 24.0677 87.8309 24.0677 90.6915 36.6062 87.831 36.6062 -56.0186 GPRESSAVG: 3127000 -9.66047 25.1502 86.1901 23.9706 89.859 34.3554 88.8816 38.9389 -55.7326 TIMING: 3127000 CPU: 9316.51, 0.00295597/step Wall: 9316.51, 0.00295597/step, 1.53792 hours remaining, 208.253906 MB of memory in use. ENERGY: 3127000 717.1421 2069.8059 1936.0070 123.9944 -206010.5989 17598.9181 0.0000 0.0000 34447.9385 -149116.7928 300.8424 -183564.7314 -149018.0223 300.5521 -131.4176 -99.7248 558374.4498 8.2135 8.1553 PRESSURE: 3127200 259.975 10.7848 112.542 10.783 322.555 101.549 112.542 101.551 123.353 GPRESSURE: 3127200 321.744 -31.8053 158.087 47.8252 335.178 88.3388 80.5366 73.5521 145.567 PRESSAVG: 3127200 -2.31177 -17.7652 47.4262 -17.7652 80.6939 -11.0321 47.4262 -11.0322 -58.2483 GPRESSAVG: 3127200 -2.89191 -17.3525 46.6713 -18.232 82.1811 -10.3218 48.9791 -10.37 -59.4783 TIMING: 3127200 CPU: 9317.1, 0.00294391/step Wall: 9317.1, 0.00294391/step, 1.53149 hours remaining, 208.253906 MB of memory in use. ENERGY: 3127200 702.2258 2070.3901 1954.7286 129.8031 -206411.7368 18067.8652 0.0000 0.0000 34282.8976 -149203.8266 299.4011 -183486.7242 -149102.6245 299.2771 235.2945 267.4964 554996.1509 6.7113 6.6036 PRESSURE: 3127400 -87.4369 49.744 25.4994 49.7452 -219.077 -11.4264 25.4983 -11.4277 -58.6118 GPRESSURE: 3127400 -7.56941 42.2819 -22.9575 60.0921 -230.599 35.6686 99.611 -68.0587 -29.6034 PRESSAVG: 3127400 30.9634 14.8726 13.7096 14.8725 -16.9933 -13.9411 13.7096 -13.9411 -26.3321 GPRESSAVG: 3127400 29.7666 13.1857 16.0848 15.0483 -16.9199 -13.7818 11.4784 -16.1643 -25.1081 TIMING: 3127400 CPU: 9317.7, 0.00297731/step Wall: 9317.7, 0.00297731/step, 1.5487 hours remaining, 208.253906 MB of memory in use. ENERGY: 3127400 699.6033 2133.0749 1962.3707 112.1796 -205857.7190 17494.0766 0.0000 0.0000 34177.0497 -149279.3643 298.4767 -183456.4140 -149186.9393 299.1482 -121.7086 -89.2572 557320.5857 -4.1207 -4.0871 PRESSURE: 3127600 -295.59 -141.993 73.6585 -141.992 48.5554 -46.7519 73.6578 -46.7516 -88.3416 GPRESSURE: 3127600 -204.927 -150.461 -40.9718 -164.338 63.7488 42.8271 174.987 -86.5171 -101.097 PRESSAVG: 3127600 -30.6436 -70.9562 45.8117 -70.9562 9.17367 11.6166 45.8116 11.6167 -4.30461 GPRESSAVG: 3127600 -30.5827 -69.3165 45.9309 -71.036 7.91836 13.5798 46.6912 11.2628 -2.67134 TIMING: 3127600 CPU: 9318.29, 0.00295489/step Wall: 9318.29, 0.00295489/step, 1.53687 hours remaining, 208.253906 MB of memory in use. ENERGY: 3127600 740.7730 2139.6754 1912.1272 115.7072 -205698.4353 17528.8190 0.0000 0.0000 34191.1510 -149070.1826 298.5998 -183261.3336 -148971.8464 299.2841 -111.7921 -80.7581 559026.0873 -8.5915 -8.4452 PRESSURE: 3127800 255.587 -37.3274 108.644 -37.3267 -138.374 -45.7463 108.645 -45.7454 -188.15 GPRESSURE: 3127800 267.484 -115.828 82.8828 68.3515 -97.901 70.0547 234.904 -113.886 -137.583 PRESSAVG: 3127800 76.6678 -53.9979 21.853 -53.998 -2.18866 37.4627 21.8531 37.4628 -65.3387 GPRESSAVG: 3127800 76.7654 -54.9345 21.317 -54.8898 -2.13441 35.1821 20.3389 38.3438 -65.743 TIMING: 3127800 CPU: 9318.87, 0.00293167/step Wall: 9318.87, 0.00293167/step, 1.52463 hours remaining, 208.253906 MB of memory in use. ENERGY: 3127800 753.9042 2091.1817 1926.1762 110.9686 -206321.9310 17988.9713 0.0000 0.0000 34561.2338 -148889.4952 301.8319 -183450.7290 -148791.2395 300.8605 -23.6456 10.6669 558962.8352 3.0468 2.9627 PRESSURE: 3128000 -100.181 -134.604 6.10053 -134.603 -93.6677 -78.7564 6.10039 -78.7564 71.3071 GPRESSURE: 3128000 -112.396 -123.999 -6.03839 -100.692 -6.48494 -84.86 -4.69552 -21.0921 91.7959 PRESSAVG: 3128000 34.0341 -25.551 7.16382 -25.5511 -40.7611 -54.1476 7.1638 -54.1477 -26.3898 GPRESSAVG: 3128000 34.8209 -25.3728 5.47406 -23.2798 -40.1585 -54.2424 7.98873 -54.3671 -27.7453 TIMING: 3128000 CPU: 9319.46, 0.00293685/step Wall: 9319.46, 0.00293685/step, 1.52716 hours remaining, 208.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3128000 718.1702 2052.5832 1950.3080 115.2088 -206036.8361 17814.8104 0.0000 0.0000 34401.7795 -148983.9759 300.4393 -183385.7554 -148878.6493 300.1222 -40.8471 -9.0284 558859.7903 -11.0390 -11.0277 PRESSURE: 3128200 -162.114 108.733 -46.0823 108.734 160.661 -125.775 -46.0822 -125.776 -7.17265 GPRESSURE: 3128200 -142.162 45.8303 -129.645 138.535 194.871 -142.079 -26.7937 -77.9472 30.5562 PRESSAVG: 3128200 -27.5927 11.6102 -25.202 11.6102 -4.40009 -26.3533 -25.2019 -26.3533 42.4717 GPRESSAVG: 3128200 -28.8938 10.8583 -25.2852 9.56737 -4.27898 -26.4002 -24.4644 -24.0605 43.2935 TIMING: 3128200 CPU: 9320.05, 0.00294634/step Wall: 9320.05, 0.00294634/step, 1.53193 hours remaining, 208.253906 MB of memory in use. ENERGY: 3128200 739.8906 2107.7605 1930.8337 116.8569 -205777.4864 17732.4735 0.0000 0.0000 34162.4453 -148987.2259 298.3491 -183149.6712 -148901.4162 300.2524 -2.8750 27.7549 559345.2972 3.4929 3.3735 LDB: ============= START OF LOAD BALANCING ============== 9323.6 LDB: ============== END OF LOAD BALANCING =============== 9323.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9323.6 LDB: ============= START OF LOAD BALANCING ============== 9323.9 LDB: Largest compute 4772 load 0.023513 is 19.9% of average load 0.118271 LDB: Average compute 0.001737 is 1.5% of average load 0.118271 LDB: TIME 9323.9 LOAD: AVG 0.118271 MAX 0.1991 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.832 MB LDB: TIME 9323.9 LOAD: AVG 0.118271 MAX 0.1991 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.93 MB LDB: TIME 9323.9 LOAD: AVG 0.118271 MAX 0.1991 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.93 MB LDB: ============== END OF LOAD BALANCING =============== 9323.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9323.91 PRESSURE: 3128400 -100.935 15.3453 -18.3731 15.3431 123.683 108.695 -18.3738 108.696 -32.8551 GPRESSURE: 3128400 -47.4367 -63.7045 -83.5078 -13.767 114.881 27.7013 -59.1317 146.117 13.969 PRESSAVG: 3128400 -38.4905 41.1151 46.225 41.115 61.0407 7.64791 46.2249 7.64785 -10.2012 GPRESSAVG: 3128400 -38.0435 40.121 44.952 41.969 60.5163 7.41953 44.6261 8.72987 -10.362 TIMING: 3128400 CPU: 9320.66, 0.00302479/step Wall: 9320.66, 0.00302479/step, 1.57255 hours remaining, 207.238281 MB of memory in use. ENERGY: 3128400 773.2910 2110.8750 1935.1088 123.5731 -205901.6878 17898.0532 0.0000 0.0000 34340.8714 -148719.9153 299.9074 -183060.7866 -148620.6102 299.6709 -3.3692 27.1378 558477.6542 4.1164 4.0369 PRESSURE: 3128600 -90.3913 -71.8615 178.296 -71.8611 -222.579 21.2139 178.295 21.2132 254.188 GPRESSURE: 3128600 -35.1305 -45.9286 238.154 -112.984 -190.787 -5.60951 248.266 -39.2975 260.99 PRESSAVG: 3128600 85.8384 40.1481 16.2839 40.1481 -19.5122 14.366 16.284 14.3659 -40.0161 GPRESSAVG: 3128600 85.7463 42.1219 18.4416 40.1287 -19.9474 15.5776 14.968 11.5391 -39.3721 TIMING: 3128600 CPU: 9321.25, 0.00296875/step Wall: 9321.25, 0.00296875/step, 1.54325 hours remaining, 207.238281 MB of memory in use. ENERGY: 3128600 763.8042 2069.2237 1934.8883 100.2442 -205835.1506 17903.9653 0.0000 0.0000 34352.6813 -148710.3434 300.0105 -183063.0248 -148617.4429 300.3045 -19.5943 11.6906 559183.1630 8.7701 8.8089 PRESSURE: 3128800 -189.945 58.3245 -96.8054 58.3251 -224 15.1437 -96.8055 15.1422 -79.7148 GPRESSURE: 3128800 -180.61 42.3984 -159.293 38.2103 -201.964 -48.8621 -44.772 25.7022 -6.93532 PRESSAVG: 3128800 -37.5073 -45.1265 -6.47905 -45.1267 -48.3399 -16.2054 -6.47899 -16.2052 35.1257 GPRESSAVG: 3128800 -37.2417 -45.6941 -5.03994 -44.9418 -47.2118 -17.611 -3.77518 -13.9249 33.3277 TIMING: 3128800 CPU: 9321.84, 0.00294488/step Wall: 9321.84, 0.00294488/step, 1.53068 hours remaining, 207.238281 MB of memory in use. ENERGY: 3128800 755.6650 2109.8627 1929.9531 107.4892 -205686.7730 17600.2216 0.0000 0.0000 34407.2861 -148776.2951 300.4874 -183183.5812 -148678.7991 300.5111 -164.5533 -129.8364 559075.9660 -16.9072 -17.0419 PRESSURE: 3129000 -154.542 83.8576 -23.0448 83.8564 -180.652 -11.626 -23.0457 -11.6278 -154.038 GPRESSURE: 3129000 -130.52 40.591 -106.384 137.116 -171.498 -57.1653 63.4993 64.8628 -103.425 PRESSAVG: 3129000 31.5605 -10.5325 -37.1921 -10.5324 -34.9262 -43.5441 -37.1921 -43.5441 -13.3954 GPRESSAVG: 3129000 31.4228 -11.8218 -40.7763 -8.75983 -35.3929 -43.4405 -36.7224 -45.5294 -12.4998 TIMING: 3129000 CPU: 9322.43, 0.00295469/step Wall: 9322.43, 0.00295469/step, 1.53562 hours remaining, 207.363281 MB of memory in use. ENERGY: 3129000 754.0924 2168.1579 1927.4151 122.4694 -205684.4402 17611.8565 0.0000 0.0000 34416.8380 -148683.6110 300.5708 -183100.4490 -148591.0953 300.7096 -163.0775 -135.1476 560922.2686 -5.5870 -5.4900 PRESSURE: 3129200 -42.2423 -189.75 38.3679 -189.749 94.0081 8.72406 38.3683 8.72387 -37.5124 GPRESSURE: 3129200 25.3347 -164.078 -43.2215 -198.578 90.3421 80.3321 -9.45336 -0.153258 -5.20088 PRESSAVG: 3129200 -65.4186 -26.3384 -16.3235 -26.3384 -2.39583 -36.0493 -16.3236 -36.0492 36.0049 GPRESSAVG: 3129200 -64.6476 -24.2195 -14.3843 -28.3027 -3.05201 -34.461 -17.165 -34.7494 35.6005 TIMING: 3129200 CPU: 9323.02, 0.00294284/step Wall: 9323.02, 0.00294284/step, 1.52929 hours remaining, 207.363281 MB of memory in use. ENERGY: 3129200 786.9550 2064.6842 1955.2680 127.4371 -205691.2173 17583.9248 0.0000 0.0000 34273.4928 -148899.4553 299.3189 -183172.9481 -148811.7913 300.3239 4.7511 36.8253 558916.6380 -10.6032 -10.6997 PRESSURE: 3129400 -175.601 -60.418 77.3677 -60.4161 13.3577 -92.2533 77.3667 -92.2549 208.173 GPRESSURE: 3129400 -141.948 -72.2943 25.7581 -31.1378 93.0716 -82.243 103.421 -52.4892 182.521 PRESSAVG: 3129400 3.58005 4.31459 -15.2275 4.31443 -16.7052 -5.94384 -15.2275 -5.94387 30.6214 GPRESSAVG: 3129400 4.56715 4.40148 -16.9758 4.16126 -16.4546 -7.74171 -13.7856 -5.50008 29.6946 TIMING: 3129400 CPU: 9323.61, 0.00295335/step Wall: 9323.61, 0.00295335/step, 1.53459 hours remaining, 207.363281 MB of memory in use. ENERGY: 3129400 745.4993 2101.0130 1924.1805 120.4619 -206070.2635 17805.0471 0.0000 0.0000 34540.3069 -148833.7547 301.6491 -183374.0616 -148738.8609 300.4693 15.3099 44.5482 557906.5158 5.8321 5.9357 PRESSURE: 3129600 -388.543 -57.9796 59.466 -57.9807 -62.9514 -186.526 59.4645 -186.527 -278.744 GPRESSURE: 3129600 -346.54 -19.9544 47.2122 -30.7764 -32.4114 -249.11 97.4532 -175.01 -254.381 PRESSAVG: 3129600 -82.1014 12.1458 54.3691 12.1458 58.4421 -33.1342 54.3691 -33.1341 48.697 GPRESSAVG: 3129600 -83.6443 10.7635 54.5148 14.5059 58.9371 -30.8369 54.2543 -33.5373 49.8787 TIMING: 3129600 CPU: 9324.2, 0.00295493/step Wall: 9324.2, 0.00295493/step, 1.53525 hours remaining, 207.363281 MB of memory in use. ENERGY: 3129600 737.3670 2016.0378 1920.6591 102.5777 -205486.9237 17400.5678 0.0000 0.0000 34471.2218 -148838.4924 301.0458 -183309.7143 -148732.5361 300.6604 -243.4130 -211.1107 559773.3817 8.3459 8.3905 PRESSURE: 3129800 -169.927 -122.542 -60.4515 -122.542 -87.492 115.069 -60.4522 115.068 -157.513 GPRESSURE: 3129800 -73.4873 -156.248 -63.424 -90.4932 -102.53 70.0314 -141.031 131.383 -159.473 PRESSAVG: 3129800 -65.0742 -63.6792 -19.5253 -63.6792 9.9301 -19.6776 -19.5253 -19.6777 49.3785 GPRESSAVG: 3129800 -65.4022 -62.5034 -19.8925 -65.2593 10.2657 -20.5434 -19.3766 -21.2326 49.1567 TIMING: 3129800 CPU: 9324.79, 0.00293672/step Wall: 9324.79, 0.00293672/step, 1.52563 hours remaining, 207.363281 MB of memory in use. ENERGY: 3129800 793.5719 2105.1567 1907.1994 105.8644 -205124.1573 17374.9073 0.0000 0.0000 34226.8347 -148610.6229 298.9115 -182837.4576 -148509.1791 301.1846 -138.3104 -111.8299 558574.2117 -1.9219 -1.9932 PRESSURE: 3130000 51.1676 112.362 78.6473 112.362 -62.4801 -103.973 78.6482 -103.972 4.13106 GPRESSURE: 3130000 68.1001 116.159 40.1045 110.888 -53.8758 -87.1792 -3.6889 -107.508 78.7029 PRESSAVG: 3130000 -21.9417 30.3391 -14.0013 30.339 32.8534 14.3934 -14.0012 14.3935 8.98005 GPRESSAVG: 3130000 -21.7176 30.5406 -12.8048 29.9131 32.9777 14.7311 -14.93 16.9018 8.49297 TIMING: 3130000 CPU: 9325.38, 0.00295146/step Wall: 9325.38, 0.00295146/step, 1.53312 hours remaining, 207.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3130000 758.8683 2080.9813 1928.2310 119.0968 -205624.2759 17833.2456 0.0000 0.0000 34105.1463 -148798.7066 297.8487 -182903.8530 -148700.3846 300.2316 -2.3938 30.9758 557662.4936 6.6306 6.5844 PRESSURE: 3130200 -19.4716 19.3894 -109.356 19.39 -152.189 -14.8346 -109.357 -14.8353 -170.831 GPRESSURE: 3130200 38.173 -8.04395 -82.2872 -2.57662 -182.927 -43.5814 -137.851 -20.488 -100.447 PRESSAVG: 3130200 -43.0808 38.5892 -24.8562 38.5893 -13.3009 10.7989 -24.8562 10.7987 24.7856 GPRESSAVG: 3130200 -44.0263 37.6881 -24.2217 38.8351 -12.8805 11.3557 -26.2841 10.7906 24.5369 TIMING: 3130200 CPU: 9325.97, 0.00294729/step Wall: 9325.97, 0.00294729/step, 1.53079 hours remaining, 207.363281 MB of memory in use. ENERGY: 3130200 788.1123 2054.2603 1930.2658 134.2340 -205706.8947 17707.2336 0.0000 0.0000 34576.7400 -148516.0486 301.9673 -183092.7886 -148416.5050 300.6883 -114.1639 -81.7337 558376.4490 -10.5320 -10.7900 PRESSURE: 3130400 -127.595 -133.231 -30.1746 -133.23 -169.763 22.4177 -30.1741 22.4172 -46.3052 GPRESSURE: 3130400 -64.3085 -182.468 18.9384 -57.306 -133.84 -13.9169 11.3454 47.1987 -42.4029 PRESSAVG: 3130400 -39.7169 44.4508 -26.8847 44.4508 -27.3665 -37.9231 -26.8847 -37.9231 14.6973 GPRESSAVG: 3130400 -40.3449 45.065 -29.4386 43.6275 -27.8718 -40.4131 -25.6312 -40.326 16.0234 TIMING: 3130400 CPU: 9326.55, 0.00292255/step Wall: 9326.55, 0.00292255/step, 1.51778 hours remaining, 207.363281 MB of memory in use. ENERGY: 3130400 741.1022 2171.2568 1943.6742 118.0208 -205515.1613 17547.2730 0.0000 0.0000 34527.6552 -148466.1791 301.5386 -182993.8343 -148375.7657 301.2508 -114.5545 -80.1839 561170.5655 -17.4620 -17.3978 PRESSURE: 3130600 -466.425 54.2168 83.5882 54.217 -23.0355 -35.6337 83.5894 -35.6343 81.1094 GPRESSURE: 3130600 -420.255 -9.9328 177.29 71.1256 60.7911 -43.0072 38.3327 -72.8659 65.1383 PRESSAVG: 3130600 -73.7688 26.0358 14.359 26.0359 60.3989 19.2004 14.359 19.2003 -7.17391 GPRESSAVG: 3130600 -71.9714 26.0383 17.743 27.0199 59.9807 21.2863 14.738 20.0932 -8.58359 TIMING: 3130600 CPU: 9327.14, 0.00295231/step Wall: 9327.14, 0.00295231/step, 1.53307 hours remaining, 207.363281 MB of memory in use. ENERGY: 3130600 798.4343 2056.6615 1918.5013 115.7663 -205455.0951 17645.1733 0.0000 0.0000 34388.5287 -148532.0297 300.3236 -182920.5585 -148441.3270 301.5528 -136.1170 -98.1085 559627.1467 -6.8479 -6.8581 PRESSURE: 3130800 20.8871 -68.5706 -147.926 -68.5722 -214.042 233.198 -147.926 233.198 -11.2922 GPRESSURE: 3130800 44.5492 -33.9358 -125.566 -63.9579 -162.108 107.285 -213.694 245.294 8.38001 PRESSAVG: 3130800 53.9441 49.3933 -44.4835 49.3932 -96.0999 32.4159 -44.4835 32.416 66.8869 GPRESSAVG: 3130800 52.4046 50.551 -46.3881 47.8314 -96.6419 29.3139 -45.3794 35.2647 68.6932 TIMING: 3130800 CPU: 9327.74, 0.0029729/step Wall: 9327.74, 0.0029729/step, 1.5436 hours remaining, 207.363281 MB of memory in use. ENERGY: 3130800 782.2917 2072.7047 1931.0169 106.2941 -205536.1273 17806.7292 0.0000 0.0000 34263.2340 -148573.8567 299.2293 -182837.0907 -148475.8496 301.2683 -68.1489 -36.3929 560847.7758 8.2437 8.1520 PRESSURE: 3131000 -198.997 124.605 -133.175 124.605 -33.4764 191.132 -133.174 191.132 -115.686 GPRESSURE: 3131000 -183.258 160.183 -66.3049 53.902 -3.6771 221.626 -171.88 148.421 -51.0265 PRESSAVG: 3131000 28.9851 0.200309 -16.3788 0.200298 -38.9871 18.8937 -16.3788 18.8938 23.1491 GPRESSAVG: 3131000 29.1338 0.981888 -14.868 -0.00720246 -38.5773 20.9134 -14.9349 16.8119 22.762 TIMING: 3131000 CPU: 9328.33, 0.00297286/step Wall: 9328.33, 0.00297286/step, 1.54341 hours remaining, 207.363281 MB of memory in use. ENERGY: 3131000 705.9098 2096.5898 1941.8219 115.3025 -205565.8088 17539.4220 0.0000 0.0000 34536.8273 -148629.9356 301.6187 -183166.7629 -148532.7230 301.2736 -116.0533 -79.3205 558593.7897 4.3824 4.4395 PRESSURE: 3131200 76.5426 44.6995 -105.9 44.6983 10.7263 -19.4362 -105.9 -19.4367 97.9845 GPRESSURE: 3131200 70.3031 2.92352 -171.455 131.464 38.5356 -48.6344 -73.7447 -9.52497 171.463 PRESSAVG: 3131200 -9.4292 48.5009 38.7184 48.5011 -50.0688 -10.8563 38.7184 -10.8563 64.4828 GPRESSAVG: 3131200 -8.9832 47.7014 36.5092 50.4924 -50.519 -10.2014 38.3764 -11.1404 63.759 TIMING: 3131200 CPU: 9328.93, 0.00299263/step Wall: 9328.93, 0.00299263/step, 1.55351 hours remaining, 207.363281 MB of memory in use. ENERGY: 3131200 729.9613 2165.3612 1932.7195 102.8983 -206174.5860 17941.0325 0.0000 0.0000 34523.4794 -148779.1338 301.5021 -183302.6132 -148683.1800 301.2359 61.7511 93.4338 558763.9679 1.6616 1.4189 PRESSURE: 3131400 -21.1333 -127.521 31.2254 -127.523 15.4536 -92.771 31.2252 -92.7711 236.882 GPRESSURE: 3131400 -53.7666 -144.638 39.1634 -197.33 65.9535 -77.3522 39.5665 -81.2424 297.807 PRESSAVG: 3131400 11.0147 -44.1812 -14.3056 -44.1813 -63.318 -1.18808 -14.3056 -1.18812 40.4149 GPRESSAVG: 3131400 11.6721 -45.1894 -13.047 -44.5652 -63.3679 -2.13802 -13.3047 -0.582562 39.2388 TIMING: 3131400 CPU: 9329.53, 0.00298278/step Wall: 9329.53, 0.00298278/step, 1.54823 hours remaining, 207.363281 MB of memory in use. ENERGY: 3131400 786.9874 2088.3080 1915.9929 111.2783 -206232.5393 18039.7252 0.0000 0.0000 34173.9065 -149116.3410 298.4492 -183290.2475 -149028.9591 300.6268 77.0674 103.3313 557810.7818 -3.9628 -4.1523 PRESSURE: 3131600 -174.154 -121.32 45.3669 -121.321 -160.636 -41.5131 45.3669 -41.5126 -213.96 GPRESSURE: 3131600 -114.223 -192.989 111.087 -108.427 -148.774 -54.437 64.383 49.3712 -188.424 PRESSAVG: 3131600 40.7643 -35.4078 -0.977489 -35.4079 -46.7653 51.9702 -0.977515 51.9702 -45.0479 GPRESSAVG: 3131600 41.0113 -34.7303 -1.90602 -36.399 -46.7864 53.7511 -2.6064 52.924 -44.7019 TIMING: 3131600 CPU: 9330.11, 0.00293616/step Wall: 9330.11, 0.00293616/step, 1.52387 hours remaining, 207.363281 MB of memory in use. ENERGY: 3131600 775.2113 2126.8050 1958.9238 97.6338 -206184.8470 17726.1434 0.0000 0.0000 34351.0896 -149149.0402 299.9966 -183500.1298 -149051.3784 299.4340 -182.9168 -150.4739 558681.4998 -17.0163 -16.8256 PRESSURE: 3131800 -72.5334 131.539 55.7357 131.539 4.74719 86.6256 55.7359 86.6244 -185.756 GPRESSURE: 3131800 -41.1562 170.249 145.597 150.971 4.91589 16.1387 109.561 205.429 -110.86 PRESSAVG: 3131800 12.7782 -31.0982 28.4347 -31.0982 -63.3131 33.8769 28.4346 33.8769 49.3447 GPRESSAVG: 3131800 11.9542 -30.2324 28.6031 -30.3012 -62.8187 33.347 28.069 32.9195 49.8723 TIMING: 3131800 CPU: 9330.71, 0.00295758/step Wall: 9330.71, 0.00295758/step, 1.53482 hours remaining, 207.363281 MB of memory in use. ENERGY: 3131800 709.8886 2078.0752 1937.3557 121.6277 -205881.9964 17615.8029 0.0000 0.0000 34185.7944 -149233.4520 298.5530 -183419.2464 -149141.7580 299.9692 -84.5142 -49.0336 557493.7912 -0.3967 -0.3307 PRESSURE: 3132000 171.471 63.0335 314.209 63.0341 -47.8019 -120.597 314.209 -120.598 -6.49843 GPRESSURE: 3132000 141.891 27.3975 250.405 18.9828 20.0064 29.3757 265.753 -278.189 54.6842 PRESSAVG: 3132000 2.09203 1.69001 55.0852 1.69005 -43.602 49.6395 55.0853 49.6396 46.5708 GPRESSAVG: 3132000 1.33979 1.12254 54.9993 1.49101 -42.7507 50.9726 56.2112 47.3296 46.2099 TIMING: 3132000 CPU: 9331.3, 0.00298204/step Wall: 9331.3, 0.00298204/step, 1.54735 hours remaining, 207.363281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3132000 756.7194 2064.3497 1939.8631 116.1888 -205964.8059 17888.0963 0.0000 0.0000 33937.8878 -149261.7008 296.3880 -183199.5887 -149163.8922 298.9677 39.0570 72.1937 557895.7970 1.6870 1.5996 PRESSURE: 3132200 -142.901 20.1188 171.223 20.1191 123.752 144.2 171.222 144.2 -30.5617 GPRESSURE: 3132200 -145.819 -59.4479 182.981 102.799 173.985 21.2172 221.189 125.127 22.7342 PRESSAVG: 3132200 8.32287 42.1832 13.9006 42.1832 -10.0154 72.7603 13.9006 72.7603 -24.0796 GPRESSAVG: 3132200 9.6907 41.2902 15.3313 42.8105 -10.989 68.8771 13.2483 74.8764 -24.5526 TIMING: 3132200 CPU: 9331.9, 0.00297017/step Wall: 9331.9, 0.00297017/step, 1.54102 hours remaining, 207.363281 MB of memory in use. ENERGY: 3132200 787.9150 1991.5243 1945.4257 120.4382 -206112.1456 17736.3774 0.0000 0.0000 34269.2580 -149261.2070 299.2820 -183530.4649 -149157.5751 298.8067 -16.5704 16.9667 556786.2621 -8.5907 -8.6170 LDB: ============= START OF LOAD BALANCING ============== 9335.44 LDB: ============== END OF LOAD BALANCING =============== 9335.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9335.44 LDB: ============= START OF LOAD BALANCING ============== 9335.74 LDB: Largest compute 4802 load 0.024366 is 20.6% of average load 0.118188 LDB: Average compute 0.001734 is 1.5% of average load 0.118188 LDB: TIME 9335.74 LOAD: AVG 0.118188 MAX 0.198834 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.535 MB LDB: TIME 9335.74 LOAD: AVG 0.118188 MAX 0.198834 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.535 MB LDB: TIME 9335.74 LOAD: AVG 0.118188 MAX 0.198834 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.535 MB LDB: ============== END OF LOAD BALANCING =============== 9335.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9335.75 PRESSURE: 3132400 277.781 48.4376 55.4618 48.438 74.0783 97.952 55.4612 97.9517 162.079 GPRESSURE: 3132400 278.26 73.9018 16.6431 24.4672 98.031 62.3361 152.313 128.982 230.315 PRESSAVG: 3132400 27.2878 -6.17758 46.2071 -6.17757 3.64085 29.2712 46.2071 29.2712 -3.3794 GPRESSAVG: 3132400 27.0141 -4.60629 45.9525 -7.61719 3.44764 31.1131 47.7594 30.5644 -2.15953 TIMING: 3132400 CPU: 9332.5, 0.00301526/step Wall: 9332.5, 0.00301526/step, 1.56425 hours remaining, 208.585938 MB of memory in use. ENERGY: 3132400 700.6396 2116.2482 1914.4163 112.3826 -206126.5808 18001.4448 0.0000 0.0000 34060.3341 -149221.1151 297.4574 -183281.4492 -149126.1630 298.7611 171.3129 202.2019 558026.3856 9.1831 9.4341 PRESSURE: 3132600 -66.0907 -181.338 -53.6151 -181.34 -212.023 29.0213 -53.6157 29.0221 -36.8728 GPRESSURE: 3132600 35.4507 -137.873 -54.3301 -133.407 -219.521 4.01954 -56.3887 68.7385 -29.7298 PRESSAVG: 3132600 1.18965 3.14373 -47.4093 3.14375 25.2373 17.8153 -47.4093 17.8154 -50.9884 GPRESSAVG: 3132600 1.3941 1.47276 -47.7869 4.70015 24.8797 19.3728 -47.5198 15.8541 -50.8126 TIMING: 3132600 CPU: 9333.09, 0.00294515/step Wall: 9333.09, 0.00294515/step, 1.52771 hours remaining, 208.820312 MB of memory in use. ENERGY: 3132600 738.8056 2078.1238 1925.1712 108.9003 -206168.1475 17768.8670 0.0000 0.0000 34499.4654 -149048.8141 301.2924 -183548.2795 -148950.4277 298.9371 -104.9957 -71.2668 558063.3474 -8.1872 -8.1796 PRESSURE: 3132800 198.593 -10.233 -106.628 -10.2323 103.492 51.6048 -106.628 51.6051 -133.737 GPRESSURE: 3132800 234.83 50.5562 -56.1382 -81.5012 167.386 83.8713 -178.353 97.1471 -131.035 PRESSAVG: 3132800 -19.5458 -54.9816 -21.2014 -54.9816 50.0546 38.8869 -21.2013 38.8868 -31.3601 GPRESSAVG: 3132800 -19.4 -54.7187 -23.1111 -56.8373 50.7929 38.8998 -21.3434 38.9271 -31.9841 TIMING: 3132800 CPU: 9333.67, 0.0029283/step Wall: 9333.67, 0.0029283/step, 1.51881 hours remaining, 208.820312 MB of memory in use. ENERGY: 3132800 744.0419 2044.7779 1922.7777 121.5394 -206161.4644 17980.6642 0.0000 0.0000 34324.2017 -149023.4617 299.7618 -183347.6634 -148927.6702 299.6951 56.1161 90.3935 559100.4659 -0.2837 -0.1970 PRESSURE: 3133000 93.34 42.6305 278.478 42.6313 25.7633 -125.309 278.479 -125.309 58.9929 GPRESSURE: 3133000 108.388 176.38 263.992 3.31553 85.5481 -72.3074 258.86 -126.226 92.0136 PRESSAVG: 3133000 25.7607 15.177 16.6353 15.177 26.7435 24.4295 16.6353 24.4294 -87.0117 GPRESSAVG: 3133000 26.229 15.6113 18.0474 13.4118 26.6415 22.0816 15.8369 25.0805 -87.49 TIMING: 3133000 CPU: 9334.26, 0.00292568/step Wall: 9334.26, 0.00292568/step, 1.51729 hours remaining, 208.820312 MB of memory in use. ENERGY: 3133000 739.6917 2061.6859 1944.6256 108.5800 -206019.4165 17918.4765 0.0000 0.0000 34305.1879 -148941.1690 299.5957 -183246.3568 -148849.0906 299.8267 59.3654 95.3166 557895.1249 -11.5025 -11.5398 PRESSURE: 3133200 57.0826 -37.57 -9.81194 -37.5705 22.495 12.4341 -9.81156 12.4344 186.074 GPRESSURE: 3133200 57.6371 21.1621 3.72333 58.5717 47.1527 -21.7683 -68.2806 102.918 258.328 PRESSAVG: 3133200 -15.0615 12.4584 11.7661 12.4584 -22.1665 -3.11633 11.766 -3.11629 52.2519 GPRESSAVG: 3133200 -17.0189 9.55597 10.9685 16.2985 -22.2574 -2.92129 12.2562 -2.02363 53.3115 TIMING: 3133200 CPU: 9334.85, 0.00297221/step Wall: 9334.85, 0.00297221/step, 1.54126 hours remaining, 208.820312 MB of memory in use. ENERGY: 3133200 737.3212 2097.0861 1935.9209 103.3794 -205772.0861 17673.2646 0.0000 0.0000 34261.2453 -148963.8686 299.2120 -183225.1139 -148863.0869 299.5548 88.5504 121.0392 557199.6376 5.0079 4.6784 PRESSURE: 3133400 -209.201 56.0241 -99.9521 56.0258 38.9418 -93.0622 -99.9516 -93.0631 -218.285 GPRESSURE: 3133400 -147.254 87.9843 -77.8083 51.0059 80.9085 -65.2226 -123.6 -27.6868 -210.812 PRESSAVG: 3133400 -11.3219 21.9899 -30.0626 21.9899 38.7013 -15.6972 -30.0626 -15.6972 -58.5985 GPRESSAVG: 3133400 -10.4319 26.1868 -29.9412 19.6671 38.1623 -16.737 -29.0522 -16.2634 -58.2982 TIMING: 3133400 CPU: 9335.45, 0.00299268/step Wall: 9335.45, 0.00299268/step, 1.55171 hours remaining, 208.820312 MB of memory in use. ENERGY: 3133400 770.0707 2055.1519 1917.3082 114.4447 -206178.8584 17785.3552 0.0000 0.0000 34421.9098 -149114.6180 300.6151 -183536.5278 -149011.0625 298.5943 -129.5147 -92.3858 558588.5109 -10.4064 -10.1893 PRESSURE: 3133600 -104.028 144.911 -97.4069 144.911 -28.6557 -49.3167 -97.4067 -49.3151 16.0937 GPRESSURE: 3133600 -66.5867 194.649 -63.0815 144.541 -21.4557 -60.6725 -18.3209 -54.3992 61.108 PRESSAVG: 3133600 2.28038 57.9294 -46.6624 57.9293 18.2316 -30.9273 -46.6624 -30.9273 1.98479 GPRESSAVG: 3133600 2.63043 58.2927 -43.9792 59.1267 17.4612 -31.3007 -48.8036 -30.5422 1.80147 TIMING: 3133600 CPU: 9336.04, 0.00296151/step Wall: 9336.04, 0.00296151/step, 1.53538 hours remaining, 208.820312 MB of memory in use. ENERGY: 3133600 779.4455 2104.6643 1959.5119 123.9384 -206059.6491 17754.7225 0.0000 0.0000 34275.1863 -149062.1801 299.3337 -183337.3664 -148970.6389 299.7132 -38.8633 -8.9781 558032.1182 7.4989 7.2977 PRESSURE: 3133800 -134.188 83.1759 -90.8456 83.1752 139.853 66.0997 -90.847 66.1005 -49.5032 GPRESSURE: 3133800 -141.801 142.914 -74.1024 37.4553 138.295 162.263 -153.418 40.5991 54.0308 PRESSAVG: 3133800 -34.8515 52.4724 -16.1992 52.4723 11.318 2.53474 -16.1992 2.53479 -38.0291 GPRESSAVG: 3133800 -35.9189 50.6566 -18.9836 52.4912 12.6383 4.88164 -15.059 1.666 -38.9032 TIMING: 3133800 CPU: 9336.64, 0.00297855/step Wall: 9336.64, 0.00297855/step, 1.54405 hours remaining, 208.820312 MB of memory in use. ENERGY: 3133800 745.5223 2092.6773 1971.0381 114.6417 -206122.8680 17875.1837 0.0000 0.0000 34300.6486 -149023.1563 299.5561 -183323.8049 -148925.7730 299.7562 -14.6127 16.8417 558350.0809 -20.5209 -20.7280 PRESSURE: 3134000 -230.703 -15.1887 -43.7566 -15.1884 206.558 77.8851 -43.7568 77.8845 140.754 GPRESSURE: 3134000 -212.619 -136.404 36.2772 53.6636 244.798 99.4441 -44.1351 88.9089 180.762 PRESSAVG: 3134000 -28.7304 -25.0257 26.5972 -25.0258 51.4071 -20.5027 26.5972 -20.5026 9.17697 GPRESSAVG: 3134000 -28.0563 -24.4717 28.169 -24.6315 51.3103 -21.4002 26.9102 -19.9081 8.94817 TIMING: 3134000 CPU: 9337.24, 0.00301394/step Wall: 9337.24, 0.00301394/step, 1.56223 hours remaining, 208.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3134000 728.9206 2135.5763 1964.5014 103.0290 -206103.4512 17906.8050 0.0000 0.0000 34111.4903 -149153.1285 297.9041 -183264.6188 -149063.2766 300.1785 38.8697 70.9803 557949.5230 10.6179 10.7340 PRESSURE: 3134200 -149.183 48.6267 82.4721 48.626 -222.961 -137.12 82.4723 -137.119 -371.289 GPRESSURE: 3134200 -110.956 82.9871 81.9401 41.4093 -214.267 -126.345 44.7109 -183.575 -321.005 PRESSAVG: 3134200 0.710189 33.7592 4.26009 33.7594 -4.63101 -13.7411 4.26011 -13.7411 -9.13793 GPRESSAVG: 3134200 -0.19206 35.2387 3.09371 31.677 -3.79992 -13.2904 2.7024 -15.1245 -9.12457 TIMING: 3134200 CPU: 9337.84, 0.00296208/step Wall: 9337.84, 0.00296208/step, 1.53518 hours remaining, 208.820312 MB of memory in use. ENERGY: 3134200 735.4839 2188.6208 1953.3174 115.5951 -205936.7733 17595.6424 0.0000 0.0000 34229.2625 -149118.8512 298.9327 -183348.1137 -149024.6267 299.6942 -247.8110 -215.4094 559087.3761 -4.3529 -4.3722 PRESSURE: 3134400 -102.023 3.97253 54.4715 3.97169 260.561 -3.96186 54.4728 -3.9621 -249.909 GPRESSURE: 3134400 -56.7879 29.5847 46.0008 -28.2721 279.463 24.4785 149.089 1.46916 -219.411 PRESSAVG: 3134400 -27.0794 30.8722 -32.5728 30.8722 -8.90112 -24.227 -32.5727 -24.227 -18.125 GPRESSAVG: 3134400 -27.1857 30.8138 -31.4786 31.2524 -9.22757 -24.4683 -31.55 -24.1238 -17.7922 TIMING: 3134400 CPU: 9338.43, 0.00298976/step Wall: 9338.43, 0.00298976/step, 1.54936 hours remaining, 208.820312 MB of memory in use. ENERGY: 3134400 752.2030 2112.3135 1942.3838 99.1958 -206020.0788 17705.4697 0.0000 0.0000 34331.4641 -149077.0490 299.8252 -183408.5130 -148978.1385 300.0634 -30.4570 1.0879 557869.7553 -18.0352 -18.0685 PRESSURE: 3134600 -158.085 -103.559 -140.679 -103.561 -126.323 -18.4591 -140.68 -18.4591 127.801 GPRESSURE: 3134600 -116.703 -66.1762 -144.664 -35.1498 -100.28 -127.363 -92.3349 38.6063 156.662 PRESSAVG: 3134600 -25.875 10.0844 14.9966 10.0844 0.732485 -18.6462 14.9965 -18.6463 79.839 GPRESSAVG: 3134600 -25.8976 8.3357 13.602 9.62828 1.7702 -20.4782 14.0002 -18.7172 79.0444 TIMING: 3134600 CPU: 9339.03, 0.00298948/step Wall: 9339.03, 0.00298948/step, 1.54905 hours remaining, 208.820312 MB of memory in use. ENERGY: 3134600 750.8559 2122.9484 1925.8471 116.9731 -205909.8890 17691.6637 0.0000 0.0000 34472.0126 -148829.5880 301.0527 -183301.6006 -148735.8364 300.3048 -52.2024 -20.1071 557168.9897 18.2322 18.3057 PRESSURE: 3134800 -76.4886 146.594 55.0601 146.594 -268.695 -58.9911 55.0593 -58.9889 -159.139 GPRESSURE: 3134800 -74.0583 170.484 46.2421 140.4 -218.009 -81.8971 42.7053 -140.101 -114.033 PRESSAVG: 3134800 -20.4159 62.0959 -18.1048 62.096 37.7128 -83.7099 -18.1049 -83.7098 -17.5314 GPRESSAVG: 3134800 -20.4621 64.6633 -18.2114 63.5179 36.183 -82.6822 -16.3662 -82.7843 -16.2195 TIMING: 3134800 CPU: 9339.63, 0.00298143/step Wall: 9339.63, 0.00298143/step, 1.54471 hours remaining, 208.820312 MB of memory in use. ENERGY: 3134800 797.3668 2106.6839 1941.4387 114.5444 -205803.7381 17522.6277 0.0000 0.0000 34422.2868 -148898.7897 300.6184 -183321.0765 -148801.4990 300.5027 -168.1074 -135.3665 557114.5717 -0.0781 -0.1662 PRESSURE: 3135000 186.859 -52.0924 57.5952 -52.0929 -107.21 -13.6959 57.5935 -13.695 -55.974 GPRESSURE: 3135000 214.35 -39.3042 49.9542 -62.4299 -34.8992 -103.172 51.0682 103.066 -56.4297 PRESSAVG: 3135000 6.80683 -33.218 81.0859 -33.2179 -50.6468 31.3938 81.0859 31.3938 6.28782 GPRESSAVG: 3135000 6.47634 -34.1905 80.782 -33.4783 -49.5965 32.6738 79.3711 29.2548 5.44071 TIMING: 3135000 CPU: 9340.23, 0.00299661/step Wall: 9340.23, 0.00299661/step, 1.55241 hours remaining, 208.820312 MB of memory in use. ENERGY: 3135000 757.1200 2071.0454 1934.4173 114.3975 -206175.1838 17907.7807 0.0000 0.0000 34331.7137 -149058.7091 299.8274 -183390.4228 -148959.2483 300.3464 7.8916 41.0069 557977.7485 -12.5174 -12.5598 PRESSURE: 3135200 -367.968 -22.1173 219.931 -22.1177 -118.532 -12.2292 219.93 -12.2287 -175.552 GPRESSURE: 3135200 -317.087 34.2069 216.362 6.24087 -108.658 -56.916 295.546 14.0795 -144.761 PRESSAVG: 3135200 -12.0884 -52.9437 44.27 -52.9437 36.6658 -19.2178 44.2699 -19.2179 -10.8748 GPRESSAVG: 3135200 -12.5642 -53.5835 45.9163 -53.4962 35.1095 -21.0188 44.173 -15.9926 -8.84962 TIMING: 3135200 CPU: 9340.82, 0.00297361/step Wall: 9340.82, 0.00297361/step, 1.54033 hours remaining, 208.820312 MB of memory in use. ENERGY: 3135200 788.9999 2080.2634 1947.5069 113.4491 -205655.5039 17369.5382 0.0000 0.0000 34352.0502 -149003.6962 300.0050 -183355.7464 -148912.8267 299.5140 -220.6840 -190.1686 557734.1058 4.5675 4.5652 PRESSURE: 3135400 -279.343 -168.684 126.383 -168.685 13.6015 -114.893 126.384 -114.894 49.4428 GPRESSURE: 3135400 -227.626 -63.2531 79.8007 -146.167 59.3883 -55.8029 164.951 -155.258 51.6761 PRESSAVG: 3135400 -43.4039 -32.9506 18.7433 -32.9506 99.3916 -20.8099 18.7433 -20.8099 -46.3889 GPRESSAVG: 3135400 -43.4107 -33.3475 16.5735 -31.2206 99.6692 -20.4656 21.4506 -21.6114 -46.7706 TIMING: 3135400 CPU: 9341.41, 0.00296802/step Wall: 9341.41, 0.00296802/step, 1.53727 hours remaining, 208.820312 MB of memory in use. ENERGY: 3135400 754.2199 2086.2363 1943.8621 124.0861 -205964.0940 17883.6788 0.0000 0.0000 34215.1927 -148956.8181 298.8098 -183172.0108 -148858.4590 300.4912 -72.0995 -38.8539 557744.6135 3.1996 3.1626 PRESSURE: 3135600 -267.546 -122.174 82.8591 -122.173 220.516 42.7771 82.8591 42.7772 -149.72 GPRESSURE: 3135600 -266.699 -59.6213 84.2528 -185.325 240.389 53.6672 61.2859 50.7992 -76.2006 PRESSAVG: 3135600 5.91911 -15.2674 38.1347 -15.2674 15.1535 -6.10634 38.1348 -6.10624 -40.0187 GPRESSAVG: 3135600 6.16141 -13.5118 38.8459 -18.0537 15.1887 -5.32089 37.4671 -7.14628 -40.1538 TIMING: 3135600 CPU: 9342.01, 0.00298352/step Wall: 9342.01, 0.00298352/step, 1.54513 hours remaining, 208.820312 MB of memory in use. ENERGY: 3135600 740.4716 2093.1760 1916.9303 105.4084 -206182.1768 17719.9375 0.0000 0.0000 34472.3169 -149133.9363 301.0553 -183606.2531 -149040.9101 299.7613 -65.5832 -34.1701 558109.0102 -6.3154 -6.2679 PRESSURE: 3135800 70.1776 102.791 -194.031 102.791 28.8064 61.0618 -194.031 61.0631 27.5171 GPRESSURE: 3135800 108.214 123.779 -162.435 103.174 10.3242 103.68 -170.933 -55.7326 99.8341 PRESSAVG: 3135800 -27.0683 67.4225 -11.1674 67.4225 18.1249 35.7005 -11.1673 35.7005 20.6057 GPRESSAVG: 3135800 -26.0141 65.2013 -10.4279 70.0839 18.3113 35.7734 -11.1593 37.1338 19.4638 TIMING: 3135800 CPU: 9342.61, 0.00299994/step Wall: 9342.61, 0.00299994/step, 1.55347 hours remaining, 208.820312 MB of memory in use. ENERGY: 3135800 753.5898 2069.9224 1930.7181 108.6908 -206089.3862 17806.6745 0.0000 0.0000 34278.8246 -149140.9660 299.3655 -183419.7905 -149045.6275 300.1437 42.1670 72.7908 556506.1245 3.8874 3.9203 PRESSURE: 3136000 149.658 38.8849 5.69442 38.8856 254.334 19.0393 5.69394 19.0418 26.3858 GPRESSURE: 3136000 138.817 163.062 -49.1012 -53.6127 280.822 47.0126 -34.5722 48.3318 100.941 PRESSAVG: 3136000 8.61513 42.0469 -29.4155 42.0469 106.973 26.5445 -29.4155 26.5446 -59.0343 GPRESSAVG: 3136000 7.31986 41.5107 -28.4057 41.7798 108.556 22.7321 -31.1305 26.1972 -59.335 TIMING: 3136000 CPU: 9343.2, 0.00296738/step Wall: 9343.2, 0.00296738/step, 1.53644 hours remaining, 208.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3136000 712.1192 2114.1643 1944.7227 111.1660 -206523.9139 17945.9051 0.0000 0.0000 34372.6099 -149323.2268 300.1846 -183695.8367 -149226.9741 299.5532 143.4592 173.5268 556454.2934 18.8512 18.8469 PRESSURE: 3136200 52.6089 -14.113 -164.887 -14.1135 -4.18642 63.1805 -164.886 63.1807 134 GPRESSURE: 3136200 96.6894 -46.4239 -158.825 24.0676 51.3892 97.9358 -192.058 60.5935 138.868 PRESSAVG: 3136200 5.00281 4.00776 -42.6065 4.00771 34.3549 -19.479 -42.6065 -19.4792 -34.6761 GPRESSAVG: 3136200 6.39989 3.96648 -44.5439 3.68422 33.7362 -15.9522 -42.4491 -19.3362 -35.0034 TIMING: 3136200 CPU: 9343.8, 0.00295934/step Wall: 9343.8, 0.00295934/step, 1.53211 hours remaining, 208.820312 MB of memory in use. ENERGY: 3136200 764.7677 2082.0636 1956.6053 105.7639 -206783.7149 18173.3377 0.0000 0.0000 34271.8609 -149429.3158 299.3047 -183701.1767 -149338.4423 299.2089 60.8075 95.6490 557888.8565 1.5605 1.7109 LDB: ============= START OF LOAD BALANCING ============== 9347.34 LDB: ============== END OF LOAD BALANCING =============== 9347.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9347.35 LDB: ============= START OF LOAD BALANCING ============== 9347.64 LDB: Largest compute 4802 load 0.024547 is 20.8% of average load 0.118176 LDB: Average compute 0.001740 is 1.5% of average load 0.118176 LDB: TIME 9347.64 LOAD: AVG 0.118176 MAX 0.199052 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.305 MB LDB: TIME 9347.64 LOAD: AVG 0.118176 MAX 0.199052 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.508 MB LDB: TIME 9347.64 LOAD: AVG 0.118176 MAX 0.199052 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.508 MB LDB: ============== END OF LOAD BALANCING =============== 9347.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9347.65 PRESSURE: 3136400 -137.286 82.9789 -29.6098 82.9788 -25.9077 -162.354 -29.6104 -162.352 175.266 GPRESSURE: 3136400 -78.2331 96.853 -102.77 76.7292 -15.4983 -204.397 23.4598 -205.523 199.901 PRESSAVG: 3136400 -54.9824 7.73765 -33.4219 7.73765 60.5727 -71.1344 -33.4219 -71.1343 -17.7855 GPRESSAVG: 3136400 -54.7606 9.81574 -32.5929 7.5722 59.9771 -72.4507 -32.054 -70.6333 -17.8098 TIMING: 3136400 CPU: 9344.4, 0.00301829/step Wall: 9344.4, 0.00301829/step, 1.56247 hours remaining, 207.007812 MB of memory in use. ENERGY: 3136400 721.9224 2107.9931 1944.3850 100.9109 -206233.4531 17792.2833 0.0000 0.0000 34032.1739 -149533.7845 297.2114 -183565.9585 -149435.6513 298.0956 4.0240 35.3899 558018.9512 -4.0651 -4.1978 PRESSURE: 3136600 151.856 -73.6816 -179.207 -73.6805 107.565 24.6155 -179.208 24.6147 110.736 GPRESSURE: 3136600 191.202 -109.257 -212.789 -69.1867 183.333 -9.58088 -256.259 37.195 81.9348 PRESSAVG: 3136600 -9.90244 53.862 26.5985 53.8619 26.8096 -38.4713 26.5986 -38.4714 -30.8461 GPRESSAVG: 3136600 -11.114 53.3507 27.6061 54.1506 28.125 -38.4725 24.7083 -39.7496 -30.2093 TIMING: 3136600 CPU: 9345, 0.00298027/step Wall: 9345, 0.00298027/step, 1.54262 hours remaining, 207.007812 MB of memory in use. ENERGY: 3136600 753.9480 2114.1950 1952.5506 113.6799 -206544.2863 17877.1482 0.0000 0.0000 34264.1902 -149468.5744 299.2377 -183732.7646 -149377.0326 298.5743 123.3857 152.1566 556006.3090 -4.6463 -4.3994 PRESSURE: 3136800 1.14712 125.203 -109.9 125.203 81.0621 -114.2 -109.9 -114.202 179.458 GPRESSURE: 3136800 -18.4929 128.15 -53.675 133.872 149.043 -92.3478 -93.1758 -122.68 234.623 PRESSAVG: 3136800 -17.5928 24.1517 23.2613 24.1517 -24.8662 -42.862 23.2613 -42.862 2.27256 GPRESSAVG: 3136800 -17.4306 24.5781 21.8874 24.2584 -24.8586 -42.7406 25.4306 -42.8508 2.28122 TIMING: 3136800 CPU: 9345.59, 0.00298206/step Wall: 9345.59, 0.00298206/step, 1.54338 hours remaining, 207.007812 MB of memory in use. ENERGY: 3136800 750.7312 2080.6297 1933.3913 115.6724 -206493.1321 18033.4130 0.0000 0.0000 34246.6347 -149332.6598 299.0844 -183579.2945 -149243.5378 298.5568 87.2224 121.7245 557323.6221 -13.3955 -13.3360 PRESSURE: 3137000 -434.853 -112.092 -6.82434 -112.091 89.6334 4.7187 -6.82427 4.72005 -240.111 GPRESSURE: 3137000 -368.169 -56.091 -81.1346 -191.688 90.8629 -25.1325 75.0385 -18.516 -206.716 PRESSAVG: 3137000 -53.6347 3.6273 1.58866 3.62722 64.3735 9.15416 1.58874 9.15424 15.5371 GPRESSAVG: 3137000 -53.3275 3.59161 2.14392 4.22289 63.9112 9.35266 0.201548 9.77374 16.2925 TIMING: 3137000 CPU: 9346.18, 0.00295601/step Wall: 9346.18, 0.00295601/step, 1.52973 hours remaining, 207.007812 MB of memory in use. ENERGY: 3137000 784.4322 2058.7605 1953.5419 112.5117 -206225.4871 17682.4313 0.0000 0.0000 34186.6307 -149447.1788 298.5603 -183633.8096 -149350.5504 299.6845 -195.1101 -161.3407 559546.3438 8.7586 8.9587 PRESSURE: 3137200 -415.023 16.311 -30.4706 16.311 32.5548 -39.3095 -30.4692 -39.3078 -102.36 GPRESSURE: 3137200 -343.979 59.1048 -23.1796 76.3747 51.4235 -89.1463 -40.3727 -29.7067 -77.379 PRESSAVG: 3137200 -103.512 6.52623 -4.55241 6.52632 3.05053 17.4731 -4.55245 17.473 116.512 GPRESSAVG: 3137200 -102.684 5.01177 -4.03173 7.76909 3.37144 17.4931 -3.08561 18.0044 115.369 TIMING: 3137200 CPU: 9346.77, 0.00293231/step Wall: 9346.77, 0.00293231/step, 1.51731 hours remaining, 207.007812 MB of memory in use. ENERGY: 3137200 755.0357 2078.2402 1924.3792 121.4050 -206599.0220 17749.1113 0.0000 0.0000 34352.2775 -149618.5732 300.0070 -183970.8507 -149517.7615 298.3762 -161.6095 -123.3114 556709.3242 5.3501 5.3520 PRESSURE: 3137400 -86.2009 -160.999 -156.713 -161 56.2485 75.2963 -156.712 75.2964 109.45 GPRESSURE: 3137400 -64.9812 -103.973 -180.519 -336.067 76.3133 -3.53354 -163.938 152.086 172.018 PRESSAVG: 3137400 -28.8696 -1.40377 -6.25255 -1.40373 -25.8611 52.7799 -6.25265 52.78 64.0385 GPRESSAVG: 3137400 -28.9076 0.279732 -6.71725 -5.22325 -24.8251 53.4554 -6.43144 50.6488 62.9975 TIMING: 3137400 CPU: 9347.36, 0.00293714/step Wall: 9347.36, 0.00293714/step, 1.51964 hours remaining, 207.007812 MB of memory in use. ENERGY: 3137400 739.7599 2068.7220 1961.7747 107.9304 -206053.7791 17653.4277 0.0000 0.0000 34088.7435 -149433.4210 297.7055 -183522.1645 -149341.0147 298.2996 26.4992 61.1169 557181.8424 3.1026 3.0883 PRESSURE: 3137600 192.805 134.105 14.1646 134.104 -47.3203 103.388 14.1657 103.389 -4.61695 GPRESSURE: 3137600 218.558 73.5008 128.852 147.134 -65.8875 179.006 50.9108 54.76 90.8612 PRESSAVG: 3137600 -3.92716 6.65378 -16.2009 6.65377 31.3993 45.9341 -16.2009 45.934 -36.3943 GPRESSAVG: 3137600 -4.35899 6.96159 -16.2201 7.17788 29.2942 44.5028 -16.9504 46.2418 -35.0728 TIMING: 3137600 CPU: 9347.94, 0.00292007/step Wall: 9347.94, 0.00292007/step, 1.51065 hours remaining, 207.007812 MB of memory in use. ENERGY: 3137600 755.8487 2058.3697 1938.6078 109.8508 -206499.0454 17937.1576 0.0000 0.0000 34070.4415 -149628.7693 297.5456 -183699.2108 -149523.1122 298.3588 46.9560 81.1772 556070.4504 -2.9741 -3.3792 PRESSURE: 3137800 -132.136 8.93366 -28.783 8.93387 -55.7382 -25.1464 -28.783 -25.1464 127.45 GPRESSURE: 3137800 -123.883 129.199 -59.1352 -46.3057 -26.9104 62.3756 -32.1455 -115.868 193.435 PRESSAVG: 3137800 47.5593 -53.5653 -32.538 -53.5652 -11.6957 23.5591 -32.5379 23.5591 -3.02831 GPRESSAVG: 3137800 48.1052 -54.4287 -31.9296 -53.1878 -12.2098 22.2939 -32.8502 27.8286 -3.24098 TIMING: 3137800 CPU: 9348.53, 0.00291664/step Wall: 9348.53, 0.00291664/step, 1.50872 hours remaining, 207.007812 MB of memory in use. ENERGY: 3137800 763.2325 2076.3348 1940.6908 100.9390 -206584.5069 17979.3185 0.0000 0.0000 34182.2026 -149541.7887 298.5217 -183723.9913 -149451.7140 298.0412 -20.1413 14.2140 557048.8470 10.9451 10.8848 PRESSURE: 3138000 45.8427 -73.8979 61.1592 -73.8988 -23.3853 1.1368 61.1588 1.13587 -90.0905 GPRESSURE: 3138000 118.292 -114.024 36.1184 -70.2327 37.5636 30.2936 -6.07781 -37.9774 -125.383 PRESSAVG: 3138000 12.7356 -29.2571 73.0429 -29.2572 -2.04477 25.1752 73.0429 25.1752 -7.95489 GPRESSAVG: 3138000 12.6415 -27.9743 72.1349 -28.1133 -1.4867 25.5314 72.9751 23.3789 -8.4362 TIMING: 3138000 CPU: 9349.11, 0.00291599/step Wall: 9349.11, 0.00291599/step, 1.50822 hours remaining, 207.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3138000 756.5826 2062.4731 1949.0348 103.9668 -206464.0811 17928.8336 0.0000 0.0000 34179.6710 -149483.5192 298.4996 -183663.1902 -149386.0516 298.2933 -22.5444 10.1576 556073.6496 0.9120 0.9062 PRESSURE: 3138200 8.63552 -46.7936 10.8311 -46.7923 211.523 60.0395 10.8286 60.04 6.80189 GPRESSURE: 3138200 75.1794 -55.7657 51.0359 -16.0741 198.892 49.5481 -1.56223 -63.2764 46.6041 PRESSAVG: 3138200 -8.6848 36.208 15.2457 36.2079 65.3397 28.7572 15.2457 28.7572 -50.2393 GPRESSAVG: 3138200 -8.88266 35.2791 13.4059 36.5327 64.9623 29.6819 15.944 26.883 -49.2128 TIMING: 3138200 CPU: 9349.7, 0.00293951/step Wall: 9349.7, 0.00293951/step, 1.52022 hours remaining, 207.007812 MB of memory in use. ENERGY: 3138200 746.9789 2116.9049 1926.7683 118.4361 -206532.7721 17875.2423 0.0000 0.0000 34406.6702 -149341.7713 300.4820 -183748.4415 -149247.4022 299.1866 75.6533 106.8919 557757.9251 2.1385 2.2889 PRESSURE: 3138400 -180.762 44.7314 60.4849 44.7313 -143.305 -45.4948 60.484 -45.4962 79.646 GPRESSURE: 3138400 -180.955 7.96379 106.542 -9.74831 -56.8468 -126.139 -11.6068 44.934 91.2111 PRESSAVG: 3138400 17.2213 -12.9683 9.94749 -12.9682 30.9486 45.1152 9.94751 45.1153 -59.9706 GPRESSAVG: 3138400 17.6185 -12.87 12.9673 -15.4655 32.4297 42.6726 9.5113 47.9561 -61.3119 TIMING: 3138400 CPU: 9350.29, 0.00297392/step Wall: 9350.29, 0.00297392/step, 1.53785 hours remaining, 207.007812 MB of memory in use. ENERGY: 3138400 750.5069 2026.2022 1941.3735 105.8584 -206444.7471 17906.9182 0.0000 0.0000 34314.8087 -149399.0793 299.6798 -183713.8880 -149307.6988 299.1512 -81.4736 -48.8635 558693.3308 -3.9336 -3.7546 PRESSURE: 3138600 266.788 -23.6488 141.203 -23.6484 -62.349 52.9195 141.202 52.9176 20.9317 GPRESSURE: 3138600 263.495 17.5171 119.228 -102.401 16.7483 79.2345 251.875 31.2192 46.1176 PRESSAVG: 3138600 15.7769 -17.345 -13.7451 -17.3451 28.2441 9.38789 -13.745 9.38785 -42.3969 GPRESSAVG: 3138600 15.6294 -16.5337 -15.7243 -17.0059 27.156 10.3988 -12.5358 9.41747 -41.9331 TIMING: 3138600 CPU: 9350.88, 0.00295397/step Wall: 9350.88, 0.00295397/step, 1.52737 hours remaining, 207.007812 MB of memory in use. ENERGY: 3138600 776.7846 2080.9920 1950.5867 133.5536 -206181.5282 17820.1275 0.0000 0.0000 34213.5367 -149205.9470 298.7953 -183419.4837 -149115.9250 299.0682 75.1235 108.7870 557696.4221 0.5414 0.2841 PRESSURE: 3138800 332.409 133.773 -328.541 133.774 -30.5208 91.0214 -328.54 91.0208 186.707 GPRESSURE: 3138800 369.603 117.573 -320.24 106.276 -31.8516 109.297 -312.086 32.9459 250.327 PRESSAVG: 3138800 10.4107 -21.5177 -43.526 -21.5177 -15.8328 26.9047 -43.526 26.9047 12.1026 GPRESSAVG: 3138800 11.383 -23.2981 -42.7954 -21.8121 -16.927 28.5043 -44.5356 24.319 12.6023 TIMING: 3138800 CPU: 9351.47, 0.00293862/step Wall: 9351.47, 0.00293862/step, 1.51927 hours remaining, 207.007812 MB of memory in use. ENERGY: 3138800 752.5931 2085.6802 1972.5010 119.0474 -206082.7061 17855.5037 0.0000 0.0000 34256.3888 -149040.9919 299.1696 -183297.3807 -148948.0803 298.9526 162.8652 196.0261 557000.1290 2.2268 2.3527 PRESSURE: 3139000 250.763 -107.755 16.8807 -107.756 -46.0809 201.615 16.8802 201.615 -142.181 GPRESSURE: 3139000 258.851 -59.8406 22.0994 -131.656 -36.5541 178.832 69.5708 185.292 -79.1909 PRESSAVG: 3139000 71.0761 -35.7806 -4.81382 -35.7807 3.21909 49.1504 -4.81387 49.1506 -31.0979 GPRESSAVG: 3139000 69.8374 -35.572 -5.66249 -33.3738 4.34472 47.8423 -4.80908 49.7687 -30.7139 TIMING: 3139000 CPU: 9352.06, 0.00293524/step Wall: 9352.06, 0.00293524/step, 1.51735 hours remaining, 207.007812 MB of memory in use. ENERGY: 3139000 767.4564 2082.1571 1993.1238 109.1457 -206025.4692 17665.6248 0.0000 0.0000 34187.4266 -149220.5348 298.5673 -183407.9615 -149119.3893 299.3276 20.8338 47.7021 556605.7569 14.3991 14.4894 PRESSURE: 3139200 -167.863 -114.222 -61.0982 -114.221 -207.505 -4.48802 -61.0969 -4.48712 -195.838 GPRESSURE: 3139200 -131.39 -66.6679 -105.464 -43.3804 -162.581 34.3912 -86.6807 -69.2374 -168.504 PRESSAVG: 3139200 -56.8018 4.18182 -69.7133 4.18182 29.1905 31.4328 -69.7134 31.4328 -12.921 GPRESSAVG: 3139200 -56.6571 5.16235 -68.9233 4.57109 29.5994 33.514 -70.3377 30.0044 -13.5364 TIMING: 3139200 CPU: 9352.64, 0.00293652/step Wall: 9352.64, 0.00293652/step, 1.51785 hours remaining, 207.007812 MB of memory in use. ENERGY: 3139200 740.1844 2140.1692 1947.7873 103.8068 -205852.9621 17499.3502 0.0000 0.0000 34181.2874 -149240.3767 298.5137 -183421.6641 -149143.4633 299.0064 -190.4018 -154.1587 557694.9972 -13.5108 -13.5314 PRESSURE: 3139400 -34.2342 -18.3804 -71.6674 -18.3796 198.937 -9.90438 -71.6681 -9.90412 -40.0417 GPRESSURE: 3139400 84.805 -29.0438 -137.466 -68.797 198.792 91.8707 -111.616 -186.886 -61.1249 PRESSAVG: 3139400 16.5881 45.2377 -53.4176 45.2376 30.2787 39.9509 -53.4177 39.951 -18.1026 GPRESSAVG: 3139400 17.8956 44.8359 -53.2511 43.0496 30.2952 38.06 -53.951 40.9265 -19.3225 TIMING: 3139400 CPU: 9353.23, 0.00294486/step Wall: 9353.23, 0.00294486/step, 1.522 hours remaining, 207.007812 MB of memory in use. ENERGY: 3139400 768.0626 2122.8789 1935.5897 111.1327 -206226.0336 17786.6538 0.0000 0.0000 34234.7719 -149266.9439 298.9808 -183501.7158 -149176.4949 299.2502 41.5536 74.1573 556664.9092 9.5881 9.6228 PRESSURE: 3139600 82.9531 21.0392 39.6175 21.0395 -93.289 97.5059 39.6174 97.5055 50.9348 GPRESSURE: 3139600 112.315 -51.6163 -37.4586 58.4511 -40.2629 34.7095 35.9035 6.20977 82.6297 PRESSAVG: 3139600 -35.4714 9.37176 -66.1701 9.37177 -55.1588 -0.543701 -66.1701 -0.543628 57.4423 GPRESSAVG: 3139600 -36.1058 11.116 -65.9794 8.71585 -55.3857 -0.0587196 -65.3714 -1.16326 58.4238 TIMING: 3139600 CPU: 9353.82, 0.0029298/step Wall: 9353.82, 0.0029298/step, 1.51406 hours remaining, 207.007812 MB of memory in use. ENERGY: 3139600 728.9991 2054.0980 1937.8302 113.4168 -206346.8153 17886.0301 0.0000 0.0000 34271.1765 -149355.2646 299.2987 -183626.4411 -149253.5055 299.2485 13.5330 51.5606 557455.5049 -11.0627 -11.0226 PRESSURE: 3139800 -73.0426 -3.0389 171.673 -3.03884 -20.5187 -39.0942 171.672 -39.0947 103.557 GPRESSURE: 3139800 -46.7342 33.1239 146.132 32.2673 -5.40752 -77.7439 159.595 -31.7382 161.831 PRESSAVG: 3139800 -2.44516 -14.2859 33.7527 -14.2858 4.74073 20.382 33.7526 20.3819 45.6895 GPRESSAVG: 3139800 -2.78368 -15.679 32.2071 -13.1365 5.25919 20.9039 32.7522 21.797 45.5864 TIMING: 3139800 CPU: 9354.41, 0.00293789/step Wall: 9354.41, 0.00293789/step, 1.51807 hours remaining, 207.007812 MB of memory in use. ENERGY: 3139800 760.4260 2132.2872 1917.6710 111.9982 -206545.4186 17998.3368 0.0000 0.0000 34361.5760 -149263.1233 300.0882 -183624.6994 -149166.9886 298.9402 3.3320 36.5630 558098.9498 15.9950 16.0206 PRESSURE: 3140000 -348.264 41.4824 -20.5675 41.4824 -172.246 -50.1457 -20.5668 -50.1445 -16.5928 GPRESSURE: 3140000 -322.481 146.486 -64.823 6.6673 -90.1852 -112.19 -8.37267 -6.38206 -18.6081 PRESSAVG: 3140000 2.27153 -23.9254 7.6256 -23.9254 -6.29378 36.3934 7.62543 36.3934 -9.26052 GPRESSAVG: 3140000 1.97529 -24.2289 9.11533 -24.7337 -6.73511 35.9609 8.15164 34.739 -8.36739 TIMING: 3140000 CPU: 9355, 0.00295469/step Wall: 9355, 0.00295469/step, 1.52659 hours remaining, 207.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3140000 761.3790 2093.1918 1940.3779 114.2206 -206092.9206 17670.2551 0.0000 0.0000 34224.2614 -149289.2349 298.8890 -183513.4963 -149190.3075 298.8656 -179.0344 -143.7581 557694.4579 -4.4276 -4.3757 PRESSURE: 3140200 -81.0034 -63.2265 -65.5676 -63.2265 -164.266 -122.066 -65.5675 -122.067 106.391 GPRESSURE: 3140200 -92.2752 -82.1834 -111.648 -16.6222 -166.852 -32.8058 -2.20243 -183.77 212.453 PRESSAVG: 3140200 -31.8953 -38.2485 -16.3768 -38.2486 16.9815 -41.1759 -16.3768 -41.1759 -15.7216 GPRESSAVG: 3140200 -32.865 -36.5174 -17.8283 -37.9545 18.5497 -39.8534 -15.3037 -40.9217 -16.1251 TIMING: 3140200 CPU: 9355.59, 0.00297821/step Wall: 9355.59, 0.00297821/step, 1.53858 hours remaining, 207.007812 MB of memory in use. ENERGY: 3140200 764.7115 2063.8455 1966.1885 120.1176 -206341.6281 17841.5120 0.0000 0.0000 34344.3235 -149240.9296 299.9375 -183585.2530 -149147.2396 298.7781 -46.2930 -15.5579 558992.1284 -10.2118 -10.1468 LDB: ============= START OF LOAD BALANCING ============== 9359.14 LDB: ============== END OF LOAD BALANCING =============== 9359.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9359.14 LDB: ============= START OF LOAD BALANCING ============== 9359.44 LDB: Largest compute 4802 load 0.026493 is 22.4% of average load 0.118240 LDB: Average compute 0.001740 is 1.5% of average load 0.118240 LDB: TIME 9359.44 LOAD: AVG 0.11824 MAX 0.197181 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.984 MB LDB: TIME 9359.44 LOAD: AVG 0.11824 MAX 0.197181 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.988 MB LDB: TIME 9359.44 LOAD: AVG 0.11824 MAX 0.197181 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.988 MB LDB: ============== END OF LOAD BALANCING =============== 9359.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9359.45 PRESSURE: 3140400 -166.235 -10.1689 33.104 -10.1672 -15.1911 -120.007 33.104 -120.006 275.602 GPRESSURE: 3140400 -141.182 -56.6815 11.4129 -30.9206 -18.1058 -136.682 4.16422 -151.64 341.747 PRESSAVG: 3140400 19.6844 2.83285 25.9125 2.83284 9.86408 -11.8 25.9126 -11.8001 5.46899 GPRESSAVG: 3140400 20.3587 1.0507 27.2509 4.18717 9.02826 -12.5094 24.5297 -9.69174 5.81685 TIMING: 3140400 CPU: 9356.2, 0.00300906/step Wall: 9356.2, 0.00300906/step, 1.55435 hours remaining, 206.496094 MB of memory in use. ENERGY: 3140400 717.7011 2112.8579 1951.4214 121.7444 -205981.1478 17724.8630 0.0000 0.0000 34111.4830 -149241.0771 297.9041 -183352.5600 -149147.2693 299.1388 31.3922 60.8194 557848.6481 11.6725 11.7346 PRESSURE: 3140600 230.268 -33.901 -155.127 -33.8991 12.8102 96.6755 -155.127 96.6744 -270.522 GPRESSURE: 3140600 217.167 -22.7276 -155.742 -52.3181 74.7829 65.2359 -203.563 126.116 -212.689 PRESSAVG: 3140600 -11.0649 -16.9306 -58.6745 -16.9307 -34.7002 40.1773 -58.6745 40.1772 13.7898 GPRESSAVG: 3140600 -10.3379 -16.7492 -61.4833 -16.599 -35.351 38.0435 -57.9755 40.111 13.568 TIMING: 3140600 CPU: 9356.79, 0.00296344/step Wall: 9356.79, 0.00296344/step, 1.53062 hours remaining, 206.496094 MB of memory in use. ENERGY: 3140600 709.0657 2032.3935 1936.7898 133.5504 -206131.4117 17865.4076 0.0000 0.0000 34225.0360 -149229.1687 298.8958 -183454.2047 -149131.3469 299.3502 -9.1481 26.4203 558183.7533 -10.6584 -10.7069 PRESSURE: 3140800 46.7373 39.397 -77.6654 39.3967 260.822 -80.2393 -77.6647 -80.2409 83.4762 GPRESSURE: 3140800 59.1252 -35.3956 -73.8585 144.348 356.093 -97.2643 -47.5163 -56.9685 82.293 PRESSAVG: 3140800 32.8984 -4.30338 -13.8889 -4.30343 25.2858 12.7088 -13.889 12.7088 -24.3432 GPRESSAVG: 3140800 34.0758 -4.70481 -12.0432 -5.47222 24.638 14.0233 -15.5432 15.2954 -25.2641 TIMING: 3140800 CPU: 9357.38, 0.00296608/step Wall: 9357.38, 0.00296608/step, 1.53181 hours remaining, 206.496094 MB of memory in use. ENERGY: 3140800 752.5906 2069.5910 1912.2417 113.8582 -206558.4545 18214.3598 0.0000 0.0000 34295.6403 -149200.1731 299.5124 -183495.8133 -149102.0702 299.7431 130.3451 165.8370 558099.0392 11.2803 11.1499 PRESSURE: 3141000 -94.8654 67.5478 208.567 67.5472 5.84672 46.5838 208.566 46.5826 -46.2713 GPRESSURE: 3141000 -53.502 129.631 267.773 46.8788 60.1927 -56.0807 103.515 58.1514 -43.4914 PRESSAVG: 3141000 38.5526 58.9259 -41.8014 58.9259 -6.15349 17.7009 -41.8015 17.7009 0.864178 GPRESSAVG: 3141000 37.528 57.8593 -42.0054 60.1081 -5.54579 18.6779 -41.1205 15.4667 1.27322 TIMING: 3141000 CPU: 9357.97, 0.00296967/step Wall: 9357.97, 0.00296967/step, 1.5335 hours remaining, 206.496094 MB of memory in use. ENERGY: 3141000 771.1426 2083.9849 1927.7718 111.7674 -206080.1322 17768.6023 0.0000 0.0000 34321.4056 -149095.4576 299.7374 -183416.8632 -148996.0884 299.7536 -45.0967 -12.2669 557434.0675 11.0878 11.0851 PRESSURE: 3141200 -230.273 -10.9362 -41.4649 -10.9373 -24.0024 -96.5258 -41.4642 -96.5259 -142.127 GPRESSURE: 3141200 -193.69 -74.5092 -0.898235 -12.0816 1.91903 -93.8695 -124.709 -49.9892 -100.722 PRESSAVG: 3141200 -32.7253 -5.78317 -23.0417 -5.78323 73.0909 -29.462 -23.0417 -29.462 -38.409 GPRESSAVG: 3141200 -33.5245 -3.8731 -21.4225 -5.6266 72.8543 -30.9191 -24.4935 -29.0746 -37.3019 TIMING: 3141200 CPU: 9358.57, 0.00295512/step Wall: 9358.57, 0.00295512/step, 1.52582 hours remaining, 206.496094 MB of memory in use. ENERGY: 3141200 763.1706 2068.2031 1937.1209 119.0323 -205757.3892 17553.7731 0.0000 0.0000 34165.3654 -149150.7239 298.3746 -183316.0893 -149053.7547 299.4199 -132.1343 -97.4978 558400.7800 0.6522 0.6760 PRESSURE: 3141400 -210.323 -8.571 -107.748 -8.56997 -80.231 22.1539 -107.748 22.1543 -164.142 GPRESSURE: 3141400 -187.107 24.1969 -70.9879 -75.907 -8.78718 -21.9916 -117.331 81.8018 -164.699 PRESSAVG: 3141400 -28.2736 -20.7507 -23.0546 -20.7506 -8.67606 -29.8629 -23.0547 -29.8627 45.9643 GPRESSAVG: 3141400 -28.1489 -19.7926 -23.0459 -22.0698 -8.45946 -28.4885 -23.1047 -30.6683 45.2503 TIMING: 3141400 CPU: 9359.16, 0.00295177/step Wall: 9359.16, 0.00295177/step, 1.52394 hours remaining, 206.496094 MB of memory in use. ENERGY: 3141400 770.6660 2030.7020 1911.7962 120.8804 -206063.2871 17759.0033 0.0000 0.0000 34442.2385 -149028.0008 300.7926 -183470.2393 -148934.7621 300.3973 -151.5654 -120.1975 558560.9101 3.0049 2.8806 PRESSURE: 3141600 247.072 77.4408 9.01023 77.441 57.9301 -34.1454 9.00927 -34.145 155.299 GPRESSURE: 3141600 256.15 131.853 16.7921 34.3956 122.382 -5.11203 104.445 -15.2102 192.129 PRESSAVG: 3141600 -61.0378 24.5029 -48.876 24.5029 62.1384 -26.3509 -48.8761 -26.351 3.8409 GPRESSAVG: 3141600 -60.3502 26.7882 -51.0025 25.8512 61.2874 -25.54 -44.3462 -27.2854 4.62727 TIMING: 3141600 CPU: 9359.74, 0.00293948/step Wall: 9359.74, 0.00293948/step, 1.51743 hours remaining, 206.496094 MB of memory in use. ENERGY: 3141600 726.3277 2135.1102 1939.8297 101.5184 -205979.0828 17836.0660 0.0000 0.0000 34315.5501 -148924.6806 299.6862 -183240.2307 -148818.5332 300.3173 153.4337 190.2203 556355.5699 1.6472 1.8548 PRESSURE: 3141800 103.903 22.809 106.594 22.8078 5.53219 -60.7976 106.594 -60.7965 -64.1194 GPRESSURE: 3141800 101.957 -1.09099 102.75 -2.4873 25.8023 -108.415 73.4395 -23.141 14.9136 PRESSAVG: 3141800 -6.19676 62.9901 6.39997 62.9901 1.14616 7.19388 6.40002 7.19391 -26.7462 GPRESSAVG: 3141800 -6.67662 61.1996 6.72998 63.5178 2.05321 4.64519 2.11387 10.4921 -27.9365 TIMING: 3141800 CPU: 9360.33, 0.00294708/step Wall: 9360.33, 0.00294708/step, 1.52119 hours remaining, 206.496094 MB of memory in use. ENERGY: 3141800 760.4271 2113.6910 1949.3109 99.8218 -206022.0884 17818.4212 0.0000 0.0000 34218.4725 -149061.9440 298.8384 -183280.4165 -148964.5142 299.9384 15.1051 47.5576 556880.1862 -10.5989 -10.8533 PRESSURE: 3142000 -51.3679 -52.798 -93.1597 -52.7992 -111.267 -238.889 -93.1609 -238.89 -75.8952 GPRESSURE: 3142000 5.32847 -37.8945 -87.1539 -116.248 -93.8809 -167.431 -133.392 -212.229 -43.128 PRESSAVG: 3142000 -29.1675 -37.6704 27.5726 -37.6704 26.949 4.94329 27.5726 4.94323 13.2969 GPRESSAVG: 3142000 -30.294 -38.3266 30.2615 -39.1807 27.672 4.63762 27.7884 4.35556 13.3123 TIMING: 3142000 CPU: 9360.92, 0.00292867/step Wall: 9360.92, 0.00292867/step, 1.51152 hours remaining, 206.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3142000 754.7284 2129.5862 1941.6516 121.4999 -206272.8036 17854.3209 0.0000 0.0000 34284.7620 -149186.2545 299.4174 -183471.0166 -149083.5416 299.8333 -79.5102 -43.8935 557671.9155 3.6928 3.5634 PRESSURE: 3142200 -43.0511 53.5062 57.2915 53.5073 -256.551 74.8725 57.2919 74.8725 -204.754 GPRESSURE: 3142200 -46.0986 4.31703 38.0599 24.2009 -230.555 127.782 -31.8724 62.7397 -132.861 PRESSAVG: 3142200 17.7493 -12.4047 -7.48351 -12.4048 -22.9901 -54.3238 -7.48343 -54.3237 -12.0845 GPRESSAVG: 3142200 18.6176 -12.8016 -10.9862 -11.2056 -24.5268 -55.1539 -5.54493 -53.2931 -11.9045 TIMING: 3142200 CPU: 9361.51, 0.00293979/step Wall: 9361.51, 0.0029398/step, 1.5171 hours remaining, 206.496094 MB of memory in use. ENERGY: 3142200 778.7727 2086.9534 1934.4315 111.9421 -206160.3549 17656.9325 0.0000 0.0000 34223.9874 -149367.3352 298.8866 -183591.3226 -149271.2385 298.9746 -168.1187 -136.5051 557509.8128 -5.7751 -5.9379 PRESSURE: 3142400 -108.538 79.7987 95.6308 79.7988 290.529 189.98 95.63 189.982 160.617 GPRESSURE: 3142400 -50.1079 66.7513 103.99 136.934 316.412 166.666 61.6688 117.626 168.113 PRESSAVG: 3142400 -14.6525 21.3988 17.588 21.3987 -10.9395 17.9883 17.588 17.9882 -3.3847 GPRESSAVG: 3142400 -15.7266 21.1495 19.3793 22.809 -10.4192 19.3973 16.4074 14.9033 -2.63969 TIMING: 3142400 CPU: 9362.09, 0.00293841/step Wall: 9362.09, 0.00293841/step, 1.51622 hours remaining, 206.531250 MB of memory in use. ENERGY: 3142400 683.7818 2089.3242 1933.2284 114.7679 -206661.8280 17965.2999 0.0000 0.0000 34364.0434 -149511.3824 300.1097 -183875.4258 -149413.8618 298.1516 114.2027 144.8057 556500.4980 -9.6589 -9.5951 PRESSURE: 3142600 55.8202 279.791 27.6871 279.79 47.0236 -63.6722 27.6867 -63.6727 176.02 GPRESSURE: 3142600 86.3419 249.908 2.37035 213.987 38.817 -24.905 36.4199 -25.014 230.445 PRESSAVG: 3142600 -5.71185 63.2889 8.07135 63.2889 22.8573 0.63791 8.07131 0.638058 38.238 GPRESSAVG: 3142600 -4.79006 61.4715 7.13061 63.0309 22.5535 0.898848 8.18734 2.9252 37.3218 TIMING: 3142600 CPU: 9362.68, 0.00293967/step Wall: 9362.68, 0.00293967/step, 1.51671 hours remaining, 206.734375 MB of memory in use. ENERGY: 3142600 715.5741 2075.3063 1940.9640 119.7036 -206486.7680 17980.4520 0.0000 0.0000 34074.8872 -149579.8808 297.5845 -183654.7680 -149482.7045 298.3908 92.9546 118.5347 556866.3274 18.4612 18.3617 PRESSURE: 3142800 1.36516 163.792 103.048 163.793 -152.769 -73.3151 103.049 -73.3166 -215.147 GPRESSURE: 3142800 55.2009 102.97 70.9789 178.005 -165.626 -54.1648 54.0186 -7.89984 -161.073 PRESSAVG: 3142800 -17.6548 -7.14963 -5.97464 -7.14965 -46.3768 -27.7515 -5.97469 -27.7515 57.5785 GPRESSAVG: 3142800 -17.566 -5.36509 -5.34664 -9.03914 -45.504 -27.388 -6.45808 -29.5255 56.6804 TIMING: 3142800 CPU: 9363.27, 0.00295459/step Wall: 9363.27, 0.00295459/step, 1.52424 hours remaining, 206.734375 MB of memory in use. ENERGY: 3142800 744.9817 2078.1632 1934.2032 100.2199 -205987.5497 17574.2844 0.0000 0.0000 34029.7201 -149525.9773 297.1900 -183555.6974 -149428.6297 298.6655 -122.1833 -90.4992 556651.0869 -2.1511 -2.1299 PRESSURE: 3143000 35.3781 18.4822 177.867 18.4839 85.5922 -22.8286 177.868 -22.8279 -14.941 GPRESSURE: 3143000 48.5478 -22.3653 161.169 36.3865 121.119 -143.969 86.6079 73.1213 31.7355 PRESSAVG: 3143000 -2.36255 52.8046 21.5474 52.8046 36.9374 -18.2095 21.5475 -18.2096 -39.8273 GPRESSAVG: 3143000 -3.19279 53.1803 19.9774 52.8484 36.6293 -19.0711 23.5777 -17.7875 -38.9928 TIMING: 3143000 CPU: 9363.86, 0.00294567/step Wall: 9363.86, 0.00294567/step, 1.51947 hours remaining, 206.734375 MB of memory in use. ENERGY: 3143000 722.4900 2091.1649 1942.2816 100.8509 -206422.5818 17894.3461 0.0000 0.0000 34123.1801 -149548.2683 298.0062 -183671.4484 -149455.8021 298.7757 35.3431 67.1340 555864.2974 -1.7508 -1.8521 PRESSURE: 3143200 -146.469 47.5022 -216.601 47.5016 -139.394 52.9105 -216.6 52.9096 -118.173 GPRESSURE: 3143200 -126.844 -45.0228 -277.497 156.073 -116.243 82.8192 -154.106 -49.1615 -62.598 PRESSAVG: 3143200 -6.46835 2.29026 -71.4827 2.29032 0.556301 -7.19564 -71.4827 -7.19564 39.5264 GPRESSAVG: 3143200 -6.02423 -0.938093 -72.3044 4.33464 0.210594 -7.14345 -69.539 -6.74643 39.4236 TIMING: 3143200 CPU: 9364.45, 0.0029442/step Wall: 9364.45, 0.0029442/step, 1.51855 hours remaining, 206.734375 MB of memory in use. ENERGY: 3143200 734.1732 2119.7293 1933.9520 134.9962 -206094.1291 17603.6819 0.0000 0.0000 34075.4344 -149492.1622 297.5892 -183567.5965 -149389.5673 297.8443 -134.6785 -101.8951 557346.8563 11.2048 11.2033 PRESSURE: 3143400 67.0229 -18.8755 -240.015 -18.8755 95.9245 -31.2346 -240.015 -31.2348 68.4452 GPRESSURE: 3143400 176.156 -37.9803 -269.813 -31.7428 83.6563 -64.7532 -248.322 31.8466 77.8933 PRESSAVG: 3143400 46.0752 0.141423 11.3079 0.141397 -10.4427 -36.2905 11.3077 -36.2904 -44.1148 GPRESSAVG: 3143400 47.3342 4.20327 13.4999 -3.06595 -10.9938 -37.0062 8.28314 -36.4777 -44.4842 TIMING: 3143400 CPU: 9365.04, 0.00295446/step Wall: 9365.04, 0.00295446/step, 1.52368 hours remaining, 206.734375 MB of memory in use. ENERGY: 3143400 757.4274 2069.1555 1954.1805 97.3166 -206785.8616 18180.4728 0.0000 0.0000 34297.4930 -149429.8158 299.5285 -183727.3088 -149333.0363 298.4824 77.1309 112.5686 559081.2419 -2.8275 -2.7146 PRESSURE: 3143600 -317.321 14.4506 137.044 14.4506 57.193 -76.8215 137.044 -76.8214 -51.2036 GPRESSURE: 3143600 -278.596 -11.0903 178.802 1.78685 67.8379 -78.7413 88.9041 -93.3328 -6.12334 PRESSAVG: 3143600 -15.6583 2.44443 36.2891 2.44448 71.6627 -9.87422 36.2891 -9.87429 8.86853 GPRESSAVG: 3143600 -15.6662 0.698183 36.7448 4.92833 72.6707 -9.63467 36.1083 -10.2219 8.56503 TIMING: 3143600 CPU: 9365.63, 0.00295135/step Wall: 9365.63, 0.00295135/step, 1.52191 hours remaining, 206.734375 MB of memory in use. ENERGY: 3143600 754.8453 2154.6760 1945.5154 94.7890 -206307.4884 17797.4572 0.0000 0.0000 34305.9914 -149254.2142 299.6028 -183560.2056 -149160.1386 299.3844 -103.7772 -72.2937 558849.3056 21.6243 21.8565 PRESSURE: 3143800 -196.432 -44.5038 116.088 -44.504 -156.989 -102.747 116.089 -102.747 -156.387 GPRESSURE: 3143800 -163.92 -100.954 152.763 -109.613 -96.4785 -66.7651 164.169 -143.5 -149.093 PRESSAVG: 3143800 -56.9645 18.9862 47.4689 18.9863 30.3124 -59.0015 47.4689 -59.0015 35.5792 GPRESSAVG: 3143800 -57.0506 21.4014 45.6449 15.836 30.0826 -58.5037 47.9278 -60.5125 36.4288 TIMING: 3143800 CPU: 9366.22, 0.00295988/step Wall: 9366.22, 0.00295988/step, 1.52615 hours remaining, 206.734375 MB of memory in use. ENERGY: 3143800 709.8256 2166.6928 1954.9914 111.4466 -206029.5365 17505.8388 0.0000 0.0000 34313.9581 -149266.7831 299.6723 -183580.7412 -149170.9460 299.4174 -169.9360 -136.4972 557781.2531 2.9757 3.1536 PRESSURE: 3144000 -148.395 19.2266 3.36137 19.2267 -14.643 -214.996 3.36012 -214.995 -336.85 GPRESSURE: 3144000 -148.875 54.6997 20.9052 40.1858 20.12 -237.785 -55.4785 -126.789 -273.761 PRESSAVG: 3144000 -53.4002 52.5243 -14.8179 52.5244 64.3936 -85.3595 -14.8179 -85.3594 8.45678 GPRESSAVG: 3144000 -53.2643 50.9973 -12.6147 54.666 65.123 -84.6135 -16.1776 -84.0091 7.45748 TIMING: 3144000 CPU: 9366.81, 0.00294611/step Wall: 9366.81, 0.00294611/step, 1.51888 hours remaining, 206.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3144000 748.1779 2094.9373 1933.6844 110.3580 -206392.4635 17607.1757 0.0000 0.0000 34439.7397 -149458.3905 300.7708 -183898.1301 -149358.6000 299.4614 -166.6293 -134.1719 556669.9409 6.4834 6.4387 PRESSURE: 3144200 213.453 -42.9408 -77.8313 -42.9409 126.327 15.2667 -77.8303 15.2655 -120.264 GPRESSURE: 3144200 224.083 -40.5002 -19.2251 -99.061 191.581 69.9931 -34.466 19.7469 -93.0493 PRESSAVG: 3144200 13.1931 -23.7149 -13.3022 -23.715 16.2284 3.25596 -13.3023 3.256 11.3449 GPRESSAVG: 3144200 11.7703 -24.1324 -14.7522 -22.7601 16.4515 3.27274 -12.0529 0.673055 13.1182 TIMING: 3144200 CPU: 9367.4, 0.00292821/step Wall: 9367.4, 0.00292821/step, 1.50949 hours remaining, 206.734375 MB of memory in use. ENERGY: 3144200 724.2489 2028.8124 1918.3270 124.0633 -206347.5103 17946.3935 0.0000 0.0000 34050.6533 -149555.0119 297.3728 -183605.6652 -149455.7401 298.0881 73.1719 107.5382 558469.3680 13.5888 13.7800 LDB: ============= START OF LOAD BALANCING ============== 9370.94 LDB: ============== END OF LOAD BALANCING =============== 9370.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9370.94 LDB: ============= START OF LOAD BALANCING ============== 9371.24 LDB: Largest compute 4801 load 0.023600 is 20.0% of average load 0.118227 LDB: Average compute 0.001732 is 1.5% of average load 0.118227 LDB: TIME 9371.24 LOAD: AVG 0.118227 MAX 0.196271 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.527 MB LDB: TIME 9371.24 LOAD: AVG 0.118227 MAX 0.196271 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.73 MB LDB: TIME 9371.24 LOAD: AVG 0.118227 MAX 0.196271 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.73 MB LDB: ============== END OF LOAD BALANCING =============== 9371.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9371.25 PRESSURE: 3144400 -6.12426 12.5305 -11.2427 12.531 -19.9875 -37.1582 -11.2443 -37.1597 -221.823 GPRESSURE: 3144400 12.4521 68.8698 -66.8209 -7.21564 35.5706 8.55345 62.3119 -14.4869 -205.125 PRESSAVG: 3144400 -4.64654 -27.5657 -11.8362 -27.5658 64.9315 6.13135 -11.8363 6.1313 -41.8685 GPRESSAVG: 3144400 -3.23164 -24.9734 -9.73548 -30.1098 64.9884 4.29754 -13.3733 9.71547 -42.8902 TIMING: 3144400 CPU: 9368, 0.00299236/step Wall: 9368, 0.00299236/step, 1.5424 hours remaining, 206.734375 MB of memory in use. ENERGY: 3144400 765.0567 2073.8643 1937.0820 112.0748 -206652.2177 17939.8711 0.0000 0.0000 34155.5201 -149668.7487 298.2887 -183824.2688 -149572.7507 297.6015 -82.6448 -52.3675 557967.6766 6.1388 6.2889 PRESSURE: 3144600 9.85579 18.1607 -48.4745 18.1605 -144.805 -151.681 -48.4752 -151.681 26.7456 GPRESSURE: 3144600 20.9498 -22.8161 1.06177 -23.8725 -87.0387 -204.677 -2.08731 -146.176 50.4092 PRESSAVG: 3144600 18.9974 2.72185 -2.06615 2.72185 -22.4713 -65.7547 -2.06614 -65.7547 -2.31561 GPRESSAVG: 3144600 18.2868 0.79096 -4.10357 3.89191 -22.5919 -63.9907 -0.0896348 -68.4107 -1.69214 TIMING: 3144600 CPU: 9368.58, 0.00292675/step Wall: 9368.58, 0.00292675/step, 1.50842 hours remaining, 206.734375 MB of memory in use. ENERGY: 3144600 762.4378 2131.1605 1960.0655 105.7470 -206537.9189 17929.5333 0.0000 0.0000 33933.7073 -149715.2675 296.3515 -183648.9748 -149623.6811 297.9945 -36.0680 -5.2266 556677.1576 -1.9298 -1.9991 PRESSURE: 3144800 31.0931 55.9771 182.772 55.9771 -26.5954 -109.801 182.772 -109.8 -39.5736 GPRESSURE: 3144800 107.434 53.7559 185.076 46.2663 -19.0088 -158.412 156.763 -59.8983 -36.1602 PRESSAVG: 3144800 28.7728 -26.1848 28.3776 -26.1848 4.43289 -34.4122 28.3776 -34.4123 -33.836 GPRESSAVG: 3144800 29.2059 -24.8634 27.7767 -25.9884 3.8679 -35.5261 29.1944 -31.7555 -34.4347 TIMING: 3144800 CPU: 9369.17, 0.00292638/step Wall: 9369.17, 0.00292638/step, 1.50806 hours remaining, 206.734375 MB of memory in use. ENERGY: 3144800 687.4876 2106.1900 1908.6812 114.1579 -206507.1599 17887.8535 0.0000 0.0000 34177.5527 -149625.2369 298.4811 -183802.7896 -149537.0902 297.4423 -11.6920 17.4216 557473.0180 -0.2101 -0.4536 PRESSURE: 3145000 124.704 147.478 -261.269 147.478 -49.2405 19.3305 -261.269 19.3317 -79.6865 GPRESSURE: 3145000 134.862 129.279 -269.11 199.771 37.4326 29.6753 -232.583 4.67287 -75.7565 PRESSAVG: 3145000 17.733 -71.9168 -14.8906 -71.9168 8.50518 20.5226 -14.8906 20.5224 11.0489 GPRESSAVG: 3145000 17.9399 -73.3647 -13.7089 -73.4748 9.2738 20.0714 -15.4513 21.1511 9.73108 TIMING: 3145000 CPU: 9369.76, 0.00294299/step Wall: 9369.76, 0.00294299/step, 1.51646 hours remaining, 206.734375 MB of memory in use. ENERGY: 3145000 746.4066 2110.3979 1947.3498 120.0343 -206520.8837 17769.0456 0.0000 0.0000 34276.4754 -149551.1740 299.3450 -183827.6494 -149453.3342 298.3436 -1.4078 32.1793 556020.9834 12.4290 12.3149 PRESSURE: 3145200 -441.578 37.4086 -159.408 37.4084 101.733 -88.7275 -159.408 -88.7304 -100.774 GPRESSURE: 3145200 -439.62 85.7729 -134.989 31.3906 182.407 -6.65628 -143.897 -76.8252 -90.9748 PRESSAVG: 3145200 -12.012 -38.1692 -49.6899 -38.1692 5.34044 -37.6318 -49.69 -37.6318 -28.1403 GPRESSAVG: 3145200 -12.5312 -38.9664 -51.1809 -35.8571 4.98406 -39.0521 -50.6944 -39.4946 -27.4349 TIMING: 3145200 CPU: 9370.35, 0.00295286/step Wall: 9370.35, 0.00295286/step, 1.52138 hours remaining, 206.976562 MB of memory in use. ENERGY: 3145200 735.7078 2099.6336 1931.1704 105.1889 -206373.2058 17661.5138 0.0000 0.0000 34485.7879 -149354.2036 301.1730 -183839.9914 -149259.4662 298.8503 -146.8732 -116.0627 556974.9570 -11.6040 -11.6607 PRESSURE: 3145400 -134.046 146.306 -83.4509 146.307 79.8255 43.6524 -83.4513 43.652 -42.6525 GPRESSURE: 3145400 -52.2203 148.976 -27.1011 115.465 77.5822 58.8774 -117.947 -9.77646 -33.5573 PRESSAVG: 3145400 -103.221 -12.3561 -34.3127 -12.3561 48.9549 -6.0897 -34.3126 -6.08973 22.1006 GPRESSAVG: 3145400 -103.032 -11.0882 -33.2885 -12.5172 48.3287 -3.43085 -34.8228 -5.317 22.2406 TIMING: 3145400 CPU: 9370.94, 0.00294744/step Wall: 9370.94, 0.00294744/step, 1.51842 hours remaining, 206.976562 MB of memory in use. ENERGY: 3145400 759.5927 2141.9780 1920.0540 123.4571 -206356.6957 17793.1858 0.0000 0.0000 34293.4546 -149324.9735 299.4933 -183618.4281 -149227.9652 299.3021 -32.2910 -2.7318 556569.2454 -10.7219 -10.8209 PRESSURE: 3145600 98.9566 43.169 -12.6575 43.1685 -109.165 84.6343 -12.6574 84.6345 -261.65 GPRESSURE: 3145600 96.562 128.035 -23.1761 -14.9888 -84.9466 118.571 -10.1662 -6.30924 -187.734 PRESSAVG: 3145600 -45.4166 6.56516 -55.7667 6.56521 11.4933 -15.9587 -55.7667 -15.9586 9.3569 GPRESSAVG: 3145600 -45.8148 6.16733 -55.857 5.31229 12.0003 -15.7855 -56.3889 -19.2892 9.30646 TIMING: 3145600 CPU: 9371.53, 0.00295469/step Wall: 9371.53, 0.00295469/step, 1.52199 hours remaining, 206.976562 MB of memory in use. ENERGY: 3145600 737.4814 2135.8046 1943.1076 118.3002 -206178.6890 17718.8485 0.0000 0.0000 34372.5678 -149152.5788 300.1842 -183525.1466 -149062.9483 298.8571 -90.6197 -58.7061 556483.4766 -8.1888 -8.1693 PRESSURE: 3145800 -121.171 98.8204 47.6254 98.821 -120.427 32.8932 47.6261 32.8917 29.5934 GPRESSURE: 3145800 -117.287 126.709 86.4962 130.527 -64.8724 -90.6003 19.2732 88.3349 72.959 PRESSAVG: 3145800 -77.4426 31.5894 -12.4336 31.5894 52.1327 9.98676 -12.4336 9.98672 8.15098 GPRESSAVG: 3145800 -76.9851 30.2452 -12.535 33.2439 52.8921 9.71097 -11.1626 11.6144 7.56591 TIMING: 3145800 CPU: 9372.12, 0.00294137/step Wall: 9372.12, 0.00294137/step, 1.51497 hours remaining, 207.011719 MB of memory in use. ENERGY: 3145800 757.1070 2078.3215 1901.0644 103.9490 -206039.5363 17768.2341 0.0000 0.0000 34373.4619 -149057.3983 300.1920 -183430.8602 -148964.7335 300.4986 -70.6681 -36.4003 557796.0869 -5.7196 -5.5090 PRESSURE: 3146000 2.61211 -42.1511 142.581 -42.1511 74.8188 -86.1557 142.581 -86.156 192.724 GPRESSURE: 3146000 59.3407 -39.1173 165.507 8.28595 118.762 -85.8261 54.0695 -135.989 186.547 PRESSAVG: 3146000 -51.4214 49.6944 -26.7419 49.6944 -9.26219 -1.84972 -26.7419 -1.84972 100.119 GPRESSAVG: 3146000 -50.5478 50.641 -27.7308 49.571 -10.8639 -3.29141 -28.2077 -1.58938 100.55 TIMING: 3146000 CPU: 9372.71, 0.0029445/step Wall: 9372.71, 0.0029445/step, 1.51642 hours remaining, 207.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3146000 753.1223 2111.7343 1939.5988 111.1176 -206218.1061 17845.3967 0.0000 0.0000 34320.6137 -149136.5227 299.7305 -183457.1364 -149035.3554 300.3608 90.0517 121.5497 556925.3355 13.1453 13.0459 PRESSURE: 3146200 373.556 47.0172 -35.4476 47.0166 180.873 14.9204 -35.4478 14.9218 3.08944 GPRESSURE: 3146200 432.8 100.555 -27.0313 1.4742 194.161 -2.80991 -113.309 26.9516 39.9683 PRESSAVG: 3146200 -86.4 4.38477 -23.7558 4.3848 -16.024 -41.9176 -23.7557 -41.9176 101.147 GPRESSAVG: 3146200 -87.0949 4.25261 -21.7751 4.43912 -15.4701 -41.1036 -23.0434 -40.7934 101.989 TIMING: 3146200 CPU: 9373.3, 0.00297259/step Wall: 9373.3, 0.00297259/step, 1.53072 hours remaining, 207.011719 MB of memory in use. ENERGY: 3146200 746.0733 2110.0544 1946.2804 112.2931 -206652.3336 18152.2732 0.0000 0.0000 34408.3532 -149177.0059 300.4967 -183585.3591 -149077.5507 299.5093 185.8396 222.3100 557485.2458 -0.4256 -0.1920 PRESSURE: 3146400 82.6079 45.0855 77.1432 45.0867 -46.8591 110.683 77.143 110.683 -94.59 GPRESSURE: 3146400 154.937 67.8636 37.4304 40.1481 5.28955 63.0706 87.6421 159.432 -116.089 PRESSAVG: 3146400 -1.3371 22.512 -11.271 22.512 55.0925 -14.8667 -11.2711 -14.8668 -65.0265 GPRESSAVG: 3146400 -1.72276 22.1919 -12.7002 22.7626 56.7668 -14.4678 -9.77452 -17.0808 -65.987 TIMING: 3146400 CPU: 9373.89, 0.00294099/step Wall: 9373.89, 0.00294099/step, 1.51428 hours remaining, 207.011719 MB of memory in use. ENERGY: 3146400 732.9266 2062.4956 1952.2174 129.3914 -205994.5468 17743.6377 0.0000 0.0000 34149.8080 -149224.0702 298.2388 -183373.8782 -149122.0845 299.0973 -19.6137 14.7126 558751.7969 -3.7570 -3.6476 PRESSURE: 3146600 135.235 -83.6129 146.464 -83.614 168.013 -15.6063 146.465 -15.6078 58.3694 GPRESSURE: 3146600 171.879 -42.0481 103.236 -109.374 162.675 25.0943 183.322 -12.1219 117.406 PRESSAVG: 3146600 23.4278 33.4755 16.4229 33.4756 44.1751 26.1119 16.423 26.1117 -81.8728 GPRESSAVG: 3146600 23.9971 32.9192 17.0199 32.0584 43.0016 27.1346 14.9898 26.8353 -81.3375 TIMING: 3146600 CPU: 9374.48, 0.00294522/step Wall: 9374.48, 0.00294522/step, 1.5163 hours remaining, 207.011719 MB of memory in use. ENERGY: 3146600 770.6324 2099.7786 1955.2843 130.5574 -206480.5699 18033.6550 0.0000 0.0000 34281.3952 -149209.2669 299.3880 -183490.6621 -149119.6074 298.9527 120.5391 150.6530 557290.0223 -4.7566 -4.7796 PRESSURE: 3146800 -290.055 -71.1762 -9.86894 -71.1767 -128.42 100.162 -9.8679 100.161 -158.228 GPRESSURE: 3146800 -290.019 -106.829 -49.1017 -113.64 -58.7525 102.973 12.8383 63.6732 -135.298 PRESSAVG: 3146800 6.54649 68.8732 -7.91702 68.8732 23.6094 -31.8828 -7.91701 -31.8828 -16.4194 GPRESSAVG: 3146800 6.42273 72.293 -6.70502 68.7176 23.9343 -32.9745 -6.86427 -32.0981 -16.0386 TIMING: 3146800 CPU: 9375.07, 0.00296764/step Wall: 9375.07, 0.00296764/step, 1.52767 hours remaining, 207.011719 MB of memory in use. ENERGY: 3146800 750.3214 2133.6268 1938.6939 109.0267 -205642.4205 17406.1539 0.0000 0.0000 34093.7685 -149210.8293 297.7494 -183304.5978 -149120.7825 299.5665 -192.2340 -161.3565 559498.0450 4.5788 4.7728 PRESSURE: 3147000 -324.425 -60.4851 -59.8603 -60.4839 212.117 58.3778 -59.8596 58.3775 107.592 GPRESSURE: 3147000 -252.641 -6.75497 -43.1422 -91.6391 155.938 88.2125 -125.429 95.4493 200.285 PRESSAVG: 3147000 -2.01833 -1.02731 19.4761 -1.02735 -16.0602 -15.5793 19.476 -15.5793 55.7837 GPRESSAVG: 3147000 -2.15334 -3.39656 18.3611 -1.03948 -15.3849 -15.3036 20.3856 -16.0478 55.281 TIMING: 3147000 CPU: 9375.66, 0.00296288/step Wall: 9375.66, 0.00296288/step, 1.52506 hours remaining, 207.011719 MB of memory in use. ENERGY: 3147000 746.7094 2094.2507 1928.3600 114.9953 -205961.3993 17669.8356 0.0000 0.0000 34130.2787 -149276.9696 298.0682 -183407.2483 -149181.9813 299.3763 -1.5719 34.5271 557599.1943 12.5684 12.5809 PRESSURE: 3147200 -179.448 128.613 -90.1439 128.613 -533.481 -19.2074 -90.1435 -19.207 -392.745 GPRESSURE: 3147200 -167.87 58.769 -54.6781 12.2038 -482.55 33.1641 -112.066 23.4099 -353.45 PRESSAVG: 3147200 -30.9492 11.5321 -17.3047 11.5321 -19.8975 62.9066 -17.3047 62.9067 16.2438 GPRESSAVG: 3147200 -29.7264 11.1288 -18.0937 12.5721 -20.9697 61.5797 -16.6836 61.8725 15.8778 TIMING: 3147200 CPU: 9376.26, 0.00299133/step Wall: 9376.26, 0.00299133/step, 1.53954 hours remaining, 207.011719 MB of memory in use. ENERGY: 3147200 786.4329 2103.2599 1948.2272 113.3944 -205857.7600 17432.0242 0.0000 0.0000 34235.7173 -149238.7041 298.9890 -183474.4215 -149141.3895 299.0930 -368.5577 -334.6234 558836.1016 -11.5343 -11.6061 PRESSURE: 3147400 24.4722 -57.7996 56.245 -57.7994 -242.794 10.6445 56.2452 10.6443 -288.054 GPRESSURE: 3147400 69.4753 -23.9628 -2.97579 -168.199 -219.181 7.7957 104.225 56.9099 -269.114 PRESSAVG: 3147400 22.9642 15.6348 -19.1085 15.6348 -58.9619 21.7258 -19.1085 21.7258 22.8517 GPRESSAVG: 3147400 21.7888 15.861 -18.7245 14.4218 -58.7246 21.4608 -20.2096 23.4775 23.707 TIMING: 3147400 CPU: 9376.85, 0.00295607/step Wall: 9376.85, 0.00295607/step, 1.52123 hours remaining, 207.011719 MB of memory in use. ENERGY: 3147400 726.2560 2108.5753 1922.0750 117.9915 -205973.4420 17677.8326 0.0000 0.0000 34021.5621 -149399.1495 297.1188 -183420.7115 -149297.5846 299.2225 -168.7921 -139.6064 559674.9192 -4.3820 -4.4096 PRESSURE: 3147600 88.9233 168.696 7.30565 168.695 -195.137 80.4742 7.30601 80.474 203.454 GPRESSURE: 3147600 110.538 127.566 38.4715 190.524 -133.471 96.5151 5.56798 45.6863 214.315 PRESSAVG: 3147600 55.9926 -4.28723 -11.6079 -4.28724 -58.9265 47.1843 -11.608 47.1844 6.89676 GPRESSAVG: 3147600 57.3719 -3.20279 -12.0521 -3.08378 -58.526 47.2921 -11.1093 47.6171 5.41175 TIMING: 3147600 CPU: 9377.44, 0.00294011/step Wall: 9377.44, 0.00294011/step, 1.51285 hours remaining, 207.011719 MB of memory in use. ENERGY: 3147600 811.8042 2114.1306 1962.1322 110.2487 -206747.7124 18041.2908 0.0000 0.0000 34272.1107 -149435.9952 299.3069 -183708.1059 -149345.9134 298.7946 32.4137 63.7939 556876.9281 1.3210 1.4192 PRESSURE: 3147800 -102.686 85.789 -150.458 85.7899 -110.738 -54.8477 -150.457 -54.8475 -146.096 GPRESSURE: 3147800 -70.9545 43.2911 -71.3921 102.14 -96.4605 26.3684 -167.077 -177.531 -87.7539 PRESSAVG: 3147800 69.579 -26.3387 29.6516 -26.3387 -112.699 -5.71938 29.6516 -5.71947 45.7255 GPRESSAVG: 3147800 67.9914 -27.0024 30.2348 -24.5856 -112.112 -2.80796 29.9988 -8.74715 46.6879 TIMING: 3147800 CPU: 9378.03, 0.00294103/step Wall: 9378.03, 0.00294103/step, 1.51316 hours remaining, 207.011719 MB of memory in use. ENERGY: 3147800 732.5277 2094.3394 1957.8802 119.7328 -206409.5458 17655.5259 0.0000 0.0000 34302.8354 -149546.7044 299.5752 -183849.5398 -149446.6045 298.8624 -119.8401 -85.0563 558286.5985 0.8686 0.8559 PRESSURE: 3148000 98.8119 -77.5819 -42.8594 -77.5814 -389.268 -105.421 -42.8593 -105.42 -103.639 GPRESSURE: 3148000 151.336 -83.2061 -115.271 -155.01 -386.836 -132.96 -55.704 -64.3793 -47.0993 PRESSAVG: 3148000 77.8677 7.10409 7.4795 7.10414 -37.6759 -5.10866 7.47955 -5.10871 -30.9037 GPRESSAVG: 3148000 78.7165 9.23366 5.27526 5.50768 -38.0915 -7.33712 8.32308 -3.12489 -31.4508 TIMING: 3148000 CPU: 9378.62, 0.00294058/step Wall: 9378.62, 0.00294058/step, 1.51277 hours remaining, 207.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3148000 741.4754 2068.6216 1938.0311 118.2904 -206158.5862 17507.0820 0.0000 0.0000 34274.4633 -149510.6224 299.3274 -183785.0857 -149410.5714 299.3191 -131.3649 -94.1999 557932.2139 3.0960 3.0580 PRESSURE: 3148200 -181.33 17.2915 -29.0814 17.293 198.5 119.099 -29.0827 119.097 -3.73648 GPRESSURE: 3148200 -152.351 29.9179 24.9858 -4.49387 200.165 102.969 -13.7558 126.49 54.9606 PRESSAVG: 3148200 -48.3357 5.92233 30.2521 5.92226 55.6514 -16.2967 30.2521 -16.2967 7.57322 GPRESSAVG: 3148200 -47.748 2.17595 32.9227 8.37397 54.2315 -17.9561 27.5228 -15.8061 8.34852 TIMING: 3148200 CPU: 9379.21, 0.00294482/step Wall: 9379.21, 0.00294482/step, 1.51478 hours remaining, 207.011719 MB of memory in use. ENERGY: 3148200 761.2729 2058.9252 1921.1346 105.4119 -206482.5085 17862.1740 0.0000 0.0000 34298.1848 -149475.4051 299.5346 -183773.5898 -149378.0712 298.8197 4.4777 34.2583 556486.0278 4.9630 4.9440 LDB: ============= START OF LOAD BALANCING ============== 9382.75 LDB: ============== END OF LOAD BALANCING =============== 9382.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9382.75 LDB: ============= START OF LOAD BALANCING ============== 9383.05 LDB: Largest compute 4802 load 0.024876 is 21.0% of average load 0.118213 LDB: Average compute 0.001738 is 1.5% of average load 0.118213 LDB: TIME 9383.05 LOAD: AVG 0.118213 MAX 0.197015 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 9383.05 LOAD: AVG 0.118213 MAX 0.197015 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.797 MB LDB: TIME 9383.05 LOAD: AVG 0.118213 MAX 0.197015 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.797 MB LDB: ============== END OF LOAD BALANCING =============== 9383.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9383.06 PRESSURE: 3148400 -20.7208 29.9093 -40.5633 29.9099 282.669 -55.9627 -40.5631 -55.962 211.216 GPRESSURE: 3148400 68.4646 8.09706 -42.0777 85.9016 306.01 -63.3226 -2.12975 -84.6902 187.257 PRESSAVG: 3148400 -7.01459 11.6272 -4.71143 11.6272 0.613586 25.1563 -4.71142 25.1562 43.587 GPRESSAVG: 3148400 -6.05185 15.4444 -3.62174 8.74551 0.578235 27.0109 -4.79595 25.406 42.8241 TIMING: 3148400 CPU: 9379.81, 0.00302273/step Wall: 9379.81, 0.00302273/step, 1.55469 hours remaining, 209.296875 MB of memory in use. ENERGY: 3148400 747.9165 2064.7877 1932.5938 113.4346 -206977.1882 18211.7899 0.0000 0.0000 34319.2913 -149587.3745 299.7189 -183906.6658 -149490.2602 298.5642 157.7212 187.2438 557301.5574 12.3953 12.4501 PRESSURE: 3148600 10.7108 56.9299 -149.001 56.9307 -188.839 50.1137 -149.001 50.1163 -24.7838 GPRESSURE: 3148600 15.5857 -22.7863 -136.697 58.0861 -161.131 35.4272 -42.3077 98.2189 54.3556 PRESSAVG: 3148600 -44.8057 -45.9676 -0.708414 -45.9677 8.09245 -39.0229 -0.708378 -39.0229 9.0519 GPRESSAVG: 3148600 -45.5878 -48.8624 -3.42873 -45.2006 8.7928 -37.5294 -0.148972 -39.4922 9.60986 TIMING: 3148600 CPU: 9380.41, 0.00297285/step Wall: 9380.41, 0.00297285/step, 1.52887 hours remaining, 209.296875 MB of memory in use. ENERGY: 3148600 741.9448 2089.5829 1935.6439 108.1974 -206446.2821 17746.0297 0.0000 0.0000 34187.2490 -149637.6345 298.5657 -183824.8835 -149536.4401 298.3636 -67.6374 -30.3966 556803.4002 -9.2205 -9.0617 PRESSURE: 3148800 198.265 25.9384 -12.7309 25.9366 -261.893 -70.9683 -12.7315 -70.9685 107.056 GPRESSURE: 3148800 199.583 -12.4797 22.3529 21.3672 -199.19 -70.4092 -13.871 -85.7661 147.503 PRESSAVG: 3148800 3.37587 -22.0748 -12.422 -22.0747 12.5794 -1.71787 -12.422 -1.71785 32.1922 GPRESSAVG: 3148800 2.35587 -19.3789 -10.1911 -24.4411 13.0289 -1.64432 -13.4824 -1.75152 32.9213 TIMING: 3148800 CPU: 9381, 0.00297582/step Wall: 9381, 0.00297582/step, 1.53023 hours remaining, 209.554688 MB of memory in use. ENERGY: 3148800 767.1844 2127.4600 1936.5912 120.8176 -206516.4256 17840.1799 0.0000 0.0000 34260.4631 -149463.7293 299.2051 -183724.1925 -149365.8016 298.9307 14.4762 49.2989 558208.8106 16.0491 16.1020 PRESSURE: 3149000 -116.759 25.1535 -75.3417 25.1521 -29.456 34.3813 -75.3413 34.3812 -88.1152 GPRESSURE: 3149000 -95.9331 60.5269 -127.952 -55.3565 -22.7245 102.855 -130.013 -33.7915 -26.3885 PRESSAVG: 3149000 46.1323 -16.0315 -4.17455 -16.0315 -66.731 20.7429 -4.17459 20.7429 8.34938 GPRESSAVG: 3149000 47.2569 -18.7797 -6.07019 -14.4743 -66.8913 20.4885 -3.30068 20.2983 7.01016 TIMING: 3149000 CPU: 9381.59, 0.00296935/step Wall: 9381.59, 0.00296935/step, 1.52674 hours remaining, 209.554688 MB of memory in use. ENERGY: 3149000 784.1418 2077.9467 1906.4454 124.3402 -206195.6264 17700.9342 0.0000 0.0000 34113.3299 -149488.4881 297.9202 -183601.8181 -149393.6698 298.5493 -78.1101 -48.3487 558429.5117 -4.0831 -4.2081 PRESSURE: 3149200 82.2465 107.111 -187.127 107.11 -113.715 -92.3155 -187.126 -92.3176 -100.839 GPRESSURE: 3149200 119.763 127.347 -114.665 70.0888 -98.2862 -122.37 -230.955 -88.6155 -50.1779 PRESSAVG: 3149200 -23.0596 -46.3752 29.1195 -46.3753 5.33495 25.2497 29.1196 25.2496 42.5826 GPRESSAVG: 3149200 -23.0174 -45.5886 30.0699 -45.2099 4.91353 23.7941 28.8575 24.7913 43.0703 TIMING: 3149200 CPU: 9382.19, 0.00296727/step Wall: 9382.19, 0.00296727/step, 1.52551 hours remaining, 209.554688 MB of memory in use. ENERGY: 3149200 758.6687 2111.6124 1927.0571 116.2759 -206280.7010 17715.7342 0.0000 0.0000 34212.6082 -149438.7444 298.7872 -183651.3526 -149342.6152 298.7763 -44.1025 -9.5670 556837.2766 8.2860 8.3222 PRESSURE: 3149400 329.664 -82.8645 -79.205 -82.8639 -73.3468 20.4417 -79.207 20.4434 142.587 GPRESSURE: 3149400 325.973 -59.6347 -62.9086 -54.2575 -35.2583 73.9948 -129.728 -73.5171 201.744 PRESSAVG: 3149400 -38.5509 -21.5562 31.3584 -21.5561 4.16765 42.047 31.3584 42.0469 -6.74252 GPRESSAVG: 3149400 -39.8686 -21.1893 30.306 -21.544 6.19303 43.6576 31.4245 41.692 -7.05798 TIMING: 3149400 CPU: 9382.78, 0.00294484/step Wall: 9382.78, 0.00294484/step, 1.51381 hours remaining, 209.554688 MB of memory in use. ENERGY: 3149400 788.2911 2103.7251 1942.3650 120.5373 -206816.6332 18075.5597 0.0000 0.0000 34392.1301 -149394.0248 300.3550 -183786.1549 -149294.9106 299.3428 132.9682 164.1529 556244.3712 -13.7086 -13.5778 PRESSURE: 3149600 -49.545 300.532 -113.345 300.533 77.3046 -152.104 -113.345 -152.105 -119.096 GPRESSURE: 3149600 -5.26502 264.07 -127.404 255.666 79.3411 8.98583 -151.356 -172.561 -78.9028 PRESSAVG: 3149600 33.6083 -27.7839 20.1093 -27.7838 -27.4853 82.1869 20.1092 82.1868 18.3116 GPRESSAVG: 3149600 34.1968 -28.0239 18.8107 -28.4714 -28.926 82.0553 23.3496 81.94 18.9491 TIMING: 3149600 CPU: 9383.37, 0.0029865/step Wall: 9383.37, 0.0029865/step, 1.53506 hours remaining, 209.554688 MB of memory in use. ENERGY: 3149600 732.2510 2131.7425 1937.6685 103.3390 -206231.1725 17689.7909 0.0000 0.0000 34190.9951 -149445.3856 298.5985 -183636.3807 -149346.0635 298.5758 -30.4455 -1.6089 557188.9981 8.1449 8.0733 PRESSURE: 3149800 21.1117 178.498 187.834 178.498 38.7119 56.3372 187.834 56.3375 18.2349 GPRESSURE: 3149800 -23.5765 157.166 201.616 174.559 111.871 10.2859 149.234 128.843 80.5569 PRESSAVG: 3149800 -33.7532 -24.4265 -12.583 -24.4265 37.4289 54.18 -12.5831 54.18 60.7354 GPRESSAVG: 3149800 -34.1277 -23.5501 -10.3424 -24.5354 37.6379 51.9209 -17.4038 55.7648 61.3997 TIMING: 3149800 CPU: 9383.97, 0.00297285/step Wall: 9383.97, 0.00297285/step, 1.52788 hours remaining, 209.554688 MB of memory in use. ENERGY: 3149800 765.0272 2090.5341 1915.9691 117.3746 -206527.7986 17897.1273 0.0000 0.0000 34354.6134 -149387.1529 300.0274 -183741.7663 -149291.4275 299.4269 26.0195 56.2837 556450.9052 21.4703 21.6367 PRESSURE: 3150000 88.7512 7.9217 -30.1496 7.92107 -53.0281 -19.7076 -30.1496 -19.7067 -184.715 GPRESSURE: 3150000 62.5221 72.0356 -90.1968 2.25149 4.49698 -60.0814 83.0204 -21.4926 -124.514 PRESSAVG: 3150000 -22.7488 6.24431 64.2515 6.24425 50.5649 6.63068 64.2514 6.6305 -14.7616 GPRESSAVG: 3150000 -22.7936 4.50099 63.291 8.14568 50.9699 7.91495 68.1021 5.61325 -15.0824 TIMING: 3150000 CPU: 9384.56, 0.00294395/step Wall: 9384.56, 0.00294395/step, 1.51287 hours remaining, 209.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3150000 738.7498 2064.1433 1947.4352 109.1236 -206225.9675 17764.4799 0.0000 0.0000 34337.2454 -149264.7903 299.8757 -183602.0358 -149186.3670 298.9775 -49.6639 -19.1650 558013.9383 4.3515 4.3646 PRESSURE: 3150200 -188.535 -41.6334 -23.1268 -41.6344 -82.3364 110.278 -23.1271 110.276 -93.2198 GPRESSURE: 3150200 -139.67 -0.162858 -91.3298 -63.3838 -59.5562 71.3626 -28.7928 101.079 -60.7914 PRESSAVG: 3150200 -1.73585 -11.1677 -16.2367 -11.1676 -39.4979 29.708 -16.2367 29.7081 -17.2522 GPRESSAVG: 3150200 -0.677518 -11.502 -16.3455 -11.7167 -40.6423 28.8727 -17.0752 30.3008 -17.0707 TIMING: 3150200 CPU: 9385.15, 0.0029625/step Wall: 9385.15, 0.0029625/step, 1.52223 hours remaining, 209.554688 MB of memory in use. ENERGY: 3150200 741.8843 2096.7532 1925.7300 123.4534 -206145.3386 17666.0525 0.0000 0.0000 34236.5580 -149354.9071 298.9964 -183591.4651 -149264.0336 299.2594 -121.3638 -86.6726 558040.9411 -19.4953 -19.4635 PRESSURE: 3150400 77.2914 78.9906 5.68589 78.989 -167.698 166.925 5.68516 166.927 113.263 GPRESSURE: 3150400 125.858 76.1052 15.4643 60.5944 -112.543 146.166 39.8415 172.277 109.61 PRESSAVG: 3150400 77.8315 -51.6487 -23.8841 -51.6487 -32.5148 5.29691 -23.8842 5.29691 -14.3246 GPRESSAVG: 3150400 76.9091 -51.1445 -21.7027 -55.5857 -31.6729 5.76686 -26.086 5.36422 -13.9115 TIMING: 3150400 CPU: 9385.74, 0.00294589/step Wall: 9385.74, 0.00294589/step, 1.51353 hours remaining, 209.554688 MB of memory in use. ENERGY: 3150400 762.8964 2087.1123 1945.4728 116.7122 -206569.8112 18059.9161 0.0000 0.0000 34347.9072 -149249.7942 299.9688 -183597.7014 -149159.0695 299.5849 7.6189 40.9748 557234.8668 10.3307 10.4416 PRESSURE: 3150600 -231.744 93.7716 225.152 93.7703 204.969 27.4517 225.152 27.452 -63.2987 GPRESSURE: 3150600 -208.117 28.6052 256.841 117.587 215.16 50.1408 288.75 44.9607 -2.00919 PRESSAVG: 3150600 13.6232 36.3114 -15.6742 36.3114 -2.42372 3.88337 -15.6742 3.88337 10.576 GPRESSAVG: 3150600 13.4042 36.1179 -16.0029 39.7343 -2.7378 5.92504 -14.0061 2.80165 11.0469 TIMING: 3150600 CPU: 9386.33, 0.00294964/step Wall: 9386.33, 0.00294964/step, 1.5153 hours remaining, 209.554688 MB of memory in use. ENERGY: 3150600 754.3043 2090.4661 1953.9757 112.0457 -206461.7509 17945.9178 0.0000 0.0000 34467.6924 -149137.3490 301.0149 -183605.0414 -149037.6871 299.7454 -30.0245 1.6781 557080.3667 7.2585 7.2378 PRESSURE: 3150800 -131.82 -84.4251 -154.887 -84.4251 -214.514 46.5523 -154.888 46.5537 66.0901 GPRESSURE: 3150800 -126.058 -70.0359 -220.203 -80.4462 -126.827 36.8971 -65.7611 88.8536 78.9313 PRESSAVG: 3150800 -34.0356 42.9419 -7.41382 42.9419 25.5848 12.2699 -7.41381 12.27 2.72571 GPRESSAVG: 3150800 -35.2755 43.7387 -10.3701 41.8062 25.6887 12.5464 -6.50094 12.5313 3.31848 TIMING: 3150800 CPU: 9386.91, 0.00292152/step Wall: 9386.91, 0.00292152/step, 1.50069 hours remaining, 209.554688 MB of memory in use. ENERGY: 3150800 757.6738 2091.7164 1973.1191 145.5765 -206086.4600 17715.3731 0.0000 0.0000 34239.3591 -149163.6419 299.0208 -183403.0010 -149074.7667 299.1185 -93.4145 -57.9844 558882.5447 -1.9084 -2.0894 PRESSURE: 3151000 -36.2381 34.4728 -56.6071 34.4734 206.347 -156.874 -56.6073 -156.873 -41.9875 GPRESSURE: 3151000 -9.61729 -11.1215 -42.1178 81.9122 191.442 -95.9711 -169.95 -193.504 46.6973 PRESSAVG: 3151000 -89.0598 19.3298 7.42845 19.3298 -45.6023 37.4326 7.42852 37.4325 50.8115 GPRESSAVG: 3151000 -86.7045 20.5389 8.35108 18.4783 -46.3282 37.9886 6.87059 36.0898 49.0504 TIMING: 3151000 CPU: 9387.5, 0.00293418/step Wall: 9387.5, 0.00293418/step, 1.50703 hours remaining, 209.554688 MB of memory in use. ENERGY: 3151000 758.7970 2138.8055 1939.4797 108.7989 -206422.6959 17959.9487 0.0000 0.0000 34190.9912 -149325.8749 298.5984 -183516.8661 -149227.1089 298.9174 42.7072 76.1742 557504.3991 -27.9502 -27.9941 PRESSURE: 3151200 -17.0656 -247.262 68.2236 -247.262 -83.8845 -9.27176 68.2223 -9.27228 -429.579 GPRESSURE: 3151200 -16.3248 -195.5 79.1904 -204.549 -19.8818 -28.3827 53.1767 -27.1409 -383.045 PRESSAVG: 3151200 3.80071 15.6447 -41.3684 15.6447 48.2336 -34.6444 -41.3685 -34.6444 -41.3231 GPRESSAVG: 3151200 3.4329 14.4484 -40.8945 16.7713 48.4187 -36.4792 -40.3412 -33.219 -41.3245 TIMING: 3151200 CPU: 9388.09, 0.00292365/step Wall: 9388.09, 0.00292366/step, 1.50146 hours remaining, 209.554688 MB of memory in use. ENERGY: 3151200 767.9192 2094.3040 1936.5167 115.6349 -206281.6662 17727.8387 0.0000 0.0000 34382.6435 -149256.8092 300.2722 -183639.4527 -149156.8836 298.6748 -176.8431 -139.7506 559323.4845 3.5704 3.5090 PRESSURE: 3151400 -27.2017 28.5955 -51.6474 28.5949 -9.86201 19.6671 -51.648 19.6684 332.705 GPRESSURE: 3151400 -40.2187 -7.55662 -62.0876 15.619 62.099 27.7399 -108.08 32.0925 363.533 PRESSAVG: 3151400 -50.7182 1.10245 22.765 1.10245 50.2046 -14.2977 22.765 -14.2976 -39.568 GPRESSAVG: 3151400 -51.5045 1.0815 23.4191 0.701385 50.5215 -13.9611 23.6254 -13.1065 -39.0646 TIMING: 3151400 CPU: 9388.67, 0.00294201/step Wall: 9388.67, 0.00294201/step, 1.51072 hours remaining, 209.554688 MB of memory in use. ENERGY: 3151400 737.0815 2064.0071 1934.8615 118.3629 -206184.0752 17954.5219 0.0000 0.0000 34161.2772 -149213.9631 298.3389 -183375.2403 -149120.4985 298.4089 98.5470 128.4711 558886.0572 -13.3605 -13.3492 PRESSURE: 3151600 -101.602 49.6249 -66.9428 49.6241 98.4572 -35.7441 -66.9431 -35.7451 -162.24 GPRESSURE: 3151600 -64.161 -8.80694 -34.8291 11.3323 128.349 -75.4184 -100.647 17.2949 -145.113 PRESSAVG: 3151600 -12.0857 45.3828 40.3766 45.3827 -54.6876 1.94937 40.3765 1.94924 44.5991 GPRESSAVG: 3151600 -12.1667 45.7762 39.9058 45.4463 -54.5205 1.57282 38.9542 1.46313 44.6158 TIMING: 3151600 CPU: 9389.26, 0.00293789/step Wall: 9389.26, 0.00293789/step, 1.50844 hours remaining, 209.554688 MB of memory in use. ENERGY: 3151600 728.2012 2128.8176 1940.5430 105.1688 -206327.5378 17831.6775 0.0000 0.0000 34297.3496 -149295.7801 299.5273 -183593.1297 -149193.0659 298.7722 -55.1283 -26.9751 557680.6971 -7.3914 -7.3571 PRESSURE: 3151800 -94.0821 -27.6891 114.111 -27.689 -34.2775 41.4929 114.112 41.4933 56.0447 GPRESSURE: 3151800 30.9499 48.3871 118.35 -3.37527 -23.2399 98.1339 122.908 16.7054 7.95658 PRESSAVG: 3151800 -2.62775 -17.5969 10.2106 -17.597 -2.57138 -72.4168 10.2105 -72.417 -5.42398 GPRESSAVG: 3151800 -1.52439 -19.6896 10.8554 -14.5749 -4.08531 -72.6865 10.3576 -73.4993 -5.16548 TIMING: 3151800 CPU: 9389.84, 0.00291789/step Wall: 9389.84, 0.00291789/step, 1.49801 hours remaining, 209.554688 MB of memory in use. ENERGY: 3151800 745.4298 2103.9520 1892.0686 111.2923 -206137.7606 17849.9654 0.0000 0.0000 34219.5987 -149215.4539 298.8483 -183435.0525 -149122.3103 299.4109 -24.1050 5.2222 557480.8638 -3.5410 -3.5917 PRESSURE: 3152000 -335.639 -137.376 -136.137 -137.376 -42.9827 87.5661 -136.138 87.5666 -173.993 GPRESSURE: 3152000 -286.161 -146.45 -88.7763 -126.593 -18.8139 114.359 -198.484 188.818 -154.024 PRESSAVG: 3152000 -34.704 -24.899 0.321349 -24.899 8.90665 -30.1889 0.321501 -30.1888 39.9076 GPRESSAVG: 3152000 -35.844 -23.616 2.68255 -27.3282 9.27595 -31.6784 -3.22043 -28.1047 40.0765 TIMING: 3152000 CPU: 9390.43, 0.0029368/step Wall: 9390.43, 0.0029368/step, 1.50756 hours remaining, 209.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3152000 725.4820 2046.2101 1915.7814 107.0429 -205784.0474 17651.5383 0.0000 0.0000 34274.4229 -149063.5699 299.3271 -183337.9928 -148971.8574 299.1310 -184.2046 -152.9997 557630.6916 4.7034 4.5028 PRESSURE: 3152200 -12.1401 20.2954 93.098 20.2954 -89.5227 -163.135 93.0978 -163.133 -50.5553 GPRESSURE: 3152200 -21.9371 -38.3452 35.2654 98.7437 -59.4735 -120.94 70.2148 -156.9 39.6877 PRESSAVG: 3152200 -89.7281 -34.8075 10.6203 -34.8075 58.6052 -13.2923 10.6203 -13.2924 58.4044 GPRESSAVG: 3152200 -91.0143 -35.9899 6.82725 -34.9211 60.0618 -10.8771 14.3889 -15.3199 58.7757 TIMING: 3152200 CPU: 9391.02, 0.00293908/step Wall: 9391.02, 0.00293908/step, 1.50856 hours remaining, 209.554688 MB of memory in use. ENERGY: 3152200 754.7386 2065.5346 1936.6372 99.6417 -205701.0351 17624.5186 0.0000 0.0000 34316.9312 -148903.0332 299.6983 -183219.9644 -148805.8559 299.6494 -50.7393 -13.9077 557808.3369 9.0939 9.2744 LDB: ============= START OF LOAD BALANCING ============== 9394.56 LDB: ============== END OF LOAD BALANCING =============== 9394.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9394.56 LDB: ============= START OF LOAD BALANCING ============== 9394.86 LDB: Largest compute 4802 load 0.024048 is 20.4% of average load 0.118160 LDB: Average compute 0.001735 is 1.5% of average load 0.118160 LDB: TIME 9394.86 LOAD: AVG 0.11816 MAX 0.196381 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.141 MB LDB: TIME 9394.86 LOAD: AVG 0.11816 MAX 0.196381 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.156 MB LDB: TIME 9394.86 LOAD: AVG 0.11816 MAX 0.196381 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.156 MB LDB: ============== END OF LOAD BALANCING =============== 9394.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9394.87 PRESSURE: 3152400 -383.76 -208.698 -68.8723 -208.698 -178.366 -116.605 -68.8711 -116.605 -119.215 GPRESSURE: 3152400 -330.066 -228.449 -29.1452 -152.09 -150.107 -169.446 -114.336 -77.9537 -108.51 PRESSAVG: 3152400 -57.8756 19.9587 36.8364 19.9586 23.1007 24.5203 36.8364 24.5203 39.4165 GPRESSAVG: 3152400 -56.2074 21.5008 39.5119 19.2025 21.8727 22.7905 36.0178 26.3633 37.9657 TIMING: 3152400 CPU: 9391.62, 0.00297939/step Wall: 9391.62, 0.00297939/step, 1.52909 hours remaining, 206.781250 MB of memory in use. ENERGY: 3152400 745.1056 2084.4072 1930.3610 111.4577 -205697.4825 17446.3248 0.0000 0.0000 34365.8321 -149013.9941 300.1254 -183379.8262 -148911.4534 299.6272 -227.1137 -196.2278 560239.1644 1.5472 1.2104 PRESSURE: 3152600 -153.441 159.312 75.6495 159.312 34.0599 -36.8748 75.6506 -36.8749 43.8406 GPRESSURE: 3152600 -161.182 165.472 20.3105 56.5168 126.611 10.6297 50.9741 -70.9967 58.221 PRESSAVG: 3152600 15.3717 75.5913 0.0974001 75.5913 -33.9773 13.9709 0.0974648 13.9709 32.8041 GPRESSAVG: 3152600 14.8678 74.3593 -1.80517 77.2781 -34.241 13.8916 -0.115594 11.9718 33.6244 TIMING: 3152600 CPU: 9392.2, 0.00293105/step Wall: 9392.2, 0.00293105/step, 1.50412 hours remaining, 206.781250 MB of memory in use. ENERGY: 3152600 748.1640 2123.9912 1943.2944 119.5913 -206242.5258 17776.1661 0.0000 0.0000 34549.7763 -148981.5424 301.7318 -183531.3188 -148883.8418 299.0758 -25.1800 7.8833 557414.2859 4.7328 4.7504 PRESSURE: 3152800 335.462 248.764 111.4 248.763 84.3999 36.8615 111.4 36.8619 2.64399 GPRESSURE: 3152800 384.257 235.569 97.0591 224.15 115.196 68.9569 99.842 20.0566 34.0787 PRESSAVG: 3152800 -24.3076 50.6231 -13.7516 50.6232 -52.8261 50.5146 -13.7516 50.5147 96.8661 GPRESSAVG: 3152800 -24.4966 54.5587 -12.7823 47.5551 -53.249 51.9451 -13.4765 50.5574 97.1161 TIMING: 3152800 CPU: 9392.79, 0.00291707/step Wall: 9392.79, 0.00291707/step, 1.49678 hours remaining, 206.781250 MB of memory in use. ENERGY: 3152800 695.1491 2066.8621 1946.7299 128.7910 -206342.3854 18033.7536 0.0000 0.0000 34513.0910 -148958.0088 301.4114 -183471.0998 -148863.0758 300.1038 140.8354 177.8439 557415.2403 6.5775 6.4568 PRESSURE: 3153000 -223.194 -37.0878 -19.8202 -37.0879 -226.552 -18.5258 -19.8213 -18.5266 124.912 GPRESSURE: 3153000 -201.478 -67.9086 -29.7333 -70.6713 -174.014 28.6736 -5.47434 37.3744 158.711 PRESSAVG: 3153000 -61.1811 10.1315 7.45376 10.1315 2.59033 -0.340103 7.45363 -0.339932 7.6171 GPRESSAVG: 3153000 -62.0461 8.09717 6.39781 11.3899 2.73121 -0.424886 7.63776 0.932541 8.27347 TIMING: 3153000 CPU: 9393.37, 0.00293752/step Wall: 9393.37, 0.00293752/step, 1.50711 hours remaining, 206.832031 MB of memory in use. ENERGY: 3153000 788.9397 2044.3617 1921.9990 132.3966 -206052.7156 17777.6713 0.0000 0.0000 34344.2575 -149043.0899 299.9369 -183387.3473 -148944.0884 300.2760 -108.2783 -72.2600 557944.8611 -16.9912 -17.0138 PRESSURE: 3153200 -556.462 138.98 -88.6333 138.981 -194.506 -40.1084 -88.6321 -40.1077 -330.256 GPRESSURE: 3153200 -515.224 90.7646 -64.177 140.079 -131.114 25.1954 -33.7157 -65.8026 -338.389 PRESSAVG: 3153200 -9.59791 -11.4305 -61.4649 -11.4306 -50.3659 33.6606 -61.4649 33.6604 67.5575 GPRESSAVG: 3153200 -8.76641 -13.0989 -59.5243 -10.0173 -50.0773 33.1659 -62.4736 33.5264 66.4646 TIMING: 3153200 CPU: 9393.96, 0.00293241/step Wall: 9393.96, 0.00293241/step, 1.50432 hours remaining, 206.832031 MB of memory in use. ENERGY: 3153200 766.7500 2090.6429 1946.4251 118.8411 -205726.3474 17358.6190 0.0000 0.0000 34355.2502 -149089.8191 300.0329 -183445.0694 -148996.3945 300.0429 -360.4083 -328.2425 559121.4492 2.5312 2.5403 PRESSURE: 3153400 -16.3697 42.2856 13.4937 42.2856 -137.18 -14.0151 13.4946 -14.0147 -331.308 GPRESSURE: 3153400 24.1249 13.1263 33.646 108.423 -155.533 -51.7851 -0.245048 -32.9444 -248.001 PRESSAVG: 3153400 -46.6126 8.46069 -23.1138 8.46071 -52.0531 33.2804 -23.1137 33.2804 46.3733 GPRESSAVG: 3153400 -47.5236 9.39198 -24.0206 7.16804 -51.4012 33.8106 -24.4383 30.8692 45.9658 TIMING: 3153400 CPU: 9394.55, 0.00295642/step Wall: 9394.55, 0.00295642/step, 1.51648 hours remaining, 206.832031 MB of memory in use. ENERGY: 3153400 744.6309 2122.7826 1937.2065 121.0483 -206092.6564 17591.4015 0.0000 0.0000 34432.0946 -149143.4918 300.7040 -183575.5864 -149053.9091 299.2190 -161.6193 -126.4697 559058.1716 -17.4308 -17.6530 PRESSURE: 3153600 43.598 -2.34012 -20.857 -2.34099 45.1451 158.592 -20.8566 158.592 13.0709 GPRESSURE: 3153600 114.873 -29.8784 0.317262 80.0594 95.9117 151.41 -15.811 131.396 -8.93384 PRESSAVG: 3153600 -3.91069 -16.7467 -9.71643 -16.7467 -23.5628 100.332 -9.71637 100.332 10.215 GPRESSAVG: 3153600 -3.47506 -14.9298 -9.81615 -17.191 -23.6264 98.9523 -7.23795 102.165 9.7547 TIMING: 3153600 CPU: 9395.13, 0.0029216/step Wall: 9395.13, 0.0029216/step, 1.49846 hours remaining, 206.832031 MB of memory in use. ENERGY: 3153600 783.9411 2088.7303 1933.5020 123.6710 -206240.7768 18064.7283 0.0000 0.0000 34122.0506 -149124.1535 297.9964 -183246.2041 -149028.6637 299.4153 33.9380 67.2835 558457.7299 -5.7528 -5.7822 PRESSURE: 3153800 118.386 -1.59968 -80.8272 -1.59879 -23.1074 134.692 -80.8282 134.692 -49.6827 GPRESSURE: 3153800 145.776 14.7395 -49.797 -75.9696 68.65 192.261 15.7622 122.651 -74.3961 PRESSAVG: 3153800 2.69635 42.4763 -13.9619 42.4761 2.78432 92.4527 -13.9619 92.4528 -67.3514 GPRESSAVG: 3153800 2.24559 41.7015 -12.997 42.9248 3.05462 92.8555 -14.0448 91.1782 -67.0744 TIMING: 3153800 CPU: 9395.72, 0.0029367/step Wall: 9395.72, 0.0029367/step, 1.50604 hours remaining, 206.832031 MB of memory in use. ENERGY: 3153800 745.5964 2067.2310 1942.9976 115.5485 -206261.6179 17909.5454 0.0000 0.0000 34202.6662 -149278.0328 298.7004 -183480.6989 -149184.5305 299.7433 15.1988 46.6765 556997.5980 -20.6236 -20.5914 PRESSURE: 3154000 -194.119 118.277 145.509 118.277 -42.0498 142.961 145.51 142.961 -123.375 GPRESSURE: 3154000 -193.526 87.2926 133.457 65.5302 10.8883 136.431 90.7028 111.782 -72.4142 PRESSAVG: 3154000 63.4256 0.704807 -9.43745 0.704878 -70.6833 73.8375 -9.43738 73.8374 24.3639 GPRESSAVG: 3154000 62.9473 1.59424 -9.93574 0.0092076 -71.5207 73.8986 -8.35481 75.8671 25.4352 TIMING: 3154000 CPU: 9396.31, 0.00293507/step Wall: 9396.31, 0.00293507/step, 1.50504 hours remaining, 206.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3154000 741.1846 2112.1981 1935.9090 116.8778 -206167.4697 17793.2343 0.0000 0.0000 34138.0078 -149330.0582 298.1357 -183468.0660 -149233.0722 299.0258 -119.8478 -85.0173 558304.2915 5.7021 5.6206 PRESSURE: 3154200 -11.4261 -66.3985 1.39373 -66.3973 -300.849 -87.2414 1.39464 -87.2421 -65.7664 GPRESSURE: 3154200 -17.8739 -62.2616 71.4493 -112.322 -253.077 -6.28213 -52.3167 -84.3527 -25.7373 PRESSAVG: 3154200 -8.88092 -32.9873 -13.3723 -32.9872 32.2895 42.2985 -13.3722 42.2985 13.5326 GPRESSAVG: 3154200 -8.53558 -33.2905 -14.9349 -32.9251 33.0031 43.0929 -13.9483 42.7986 12.3133 TIMING: 3154200 CPU: 9396.89, 0.0029284/step Wall: 9396.89, 0.0029284/step, 1.50146 hours remaining, 206.832031 MB of memory in use. ENERGY: 3154200 742.9574 2125.8256 1955.5024 119.7219 -206260.0344 17617.9739 0.0000 0.0000 34174.6686 -149523.3846 298.4559 -183698.0532 -149432.9241 299.1768 -126.0140 -98.8961 557124.2967 12.3137 12.2603 PRESSURE: 3154400 172.859 68.6776 -94.1655 68.6769 12.3161 -81.1162 -94.1656 -81.1178 -59.247 GPRESSURE: 3154400 177.172 155.829 -24.2353 72.8846 21.8504 -122.922 -106.761 -14.2296 22.8044 PRESSAVG: 3154400 53.3536 -16.8023 30.9654 -16.8022 -41.771 44.0243 30.9654 44.0244 -47.1341 GPRESSAVG: 3154400 52.9931 -16.95 32.0453 -17.2354 -41.9336 44.303 30.9297 42.158 -46.584 TIMING: 3154400 CPU: 9397.48, 0.00293953/step Wall: 9397.48, 0.00293953/step, 1.507 hours remaining, 206.832031 MB of memory in use. ENERGY: 3154400 733.1520 2066.8820 1939.0056 120.0609 -206442.9601 17732.1484 0.0000 0.0000 34223.6745 -149628.0368 298.8839 -183851.7112 -149539.3523 298.0239 41.9761 73.9421 557332.8502 -11.8505 -11.8415 PRESSURE: 3154600 -51.2162 -40.6862 85.3284 -40.6862 73.6524 156.772 85.3278 156.772 -192.266 GPRESSURE: 3154600 -56.6077 -24.6342 115.747 -14.4584 121.062 106.268 -39.2472 221.206 -138.343 PRESSAVG: 3154600 55.8516 -6.24586 46.0081 -6.2459 -31.0123 -23.0969 46.008 -23.0969 -22.4549 GPRESSAVG: 3154600 57.1364 -6.87896 46.1013 -4.81873 -31.1441 -24.3642 44.5568 -21.4932 -23.4137 TIMING: 3154600 CPU: 9398.07, 0.00294241/step Wall: 9398.07, 0.00294241/step, 1.50831 hours remaining, 206.832031 MB of memory in use. ENERGY: 3154600 721.6600 2102.3554 1939.7715 117.9735 -206675.4686 17706.3934 0.0000 0.0000 34432.5609 -149654.7540 300.7081 -184087.3149 -149561.9663 298.6975 -56.6098 -24.6296 555804.3558 0.7948 0.8595 PRESSURE: 3154800 -18.7602 -160.873 25.8915 -160.873 97.2868 -130.845 25.8912 -130.844 44.7671 GPRESSURE: 3154800 -9.16889 -335.559 22.8957 -53.1513 110.552 -45.8929 34.2586 -113.647 121.781 PRESSAVG: 3154800 34.1417 4.02656 21.7255 4.02659 -44.7945 -59.2896 21.7254 -59.2895 -12.5749 GPRESSAVG: 3154800 33.644 4.23715 22.6833 3.76597 -45.0728 -58.2216 23.2507 -60.7365 -12.1549 TIMING: 3154800 CPU: 9398.66, 0.00295564/step Wall: 9398.66, 0.00295564/step, 1.51493 hours remaining, 206.832031 MB of memory in use. ENERGY: 3154800 728.1993 2105.1728 1940.6459 106.0640 -206385.7219 17862.9994 0.0000 0.0000 33971.2970 -149671.3436 296.6798 -183642.6406 -149571.6264 298.3404 41.0979 74.3880 554970.6835 -7.7426 -7.8612 PRESSURE: 3155000 -74.3556 -101.868 10.9769 -101.868 119.694 97.2295 10.9765 97.2305 16.4707 GPRESSURE: 3155000 -19.9843 -25.7204 -30.2142 -47.9623 152.493 119.852 5.05594 92.7605 41.5157 PRESSAVG: 3155000 15.1369 -8.85523 25.0572 -8.85532 12.9637 -24.4681 25.0572 -24.4681 -16.4666 GPRESSAVG: 3155000 15.6378 -10.3867 23.8427 -8.27543 13.188 -21.5313 23.9694 -26.9791 -16.8028 TIMING: 3155000 CPU: 9399.25, 0.00292769/step Wall: 9399.25, 0.00292769/step, 1.50044 hours remaining, 206.832031 MB of memory in use. ENERGY: 3155000 726.7519 2103.5465 1963.8552 123.5847 -206611.5937 18011.9784 0.0000 0.0000 33977.6312 -149704.2459 296.7351 -183681.8771 -149611.3963 298.1014 20.6031 58.0081 555632.4276 3.8780 4.0077 PRESSURE: 3155200 -203.067 119.443 126.761 119.442 -18.1115 -73.2828 126.76 -73.2823 142.406 GPRESSURE: 3155200 -174.815 182.745 156.287 143.549 46.2041 -119.744 99.5412 78.699 137.975 PRESSAVG: 3155200 -26.1365 -58.4969 -17.4156 -58.4968 33.7702 -21.2592 -17.4156 -21.2591 35.4303 GPRESSAVG: 3155200 -27.1413 -56.6253 -16.5105 -58.5197 33.9636 -24.9552 -19.111 -20.0143 36.1749 TIMING: 3155200 CPU: 9399.83, 0.00291399/step Wall: 9399.83, 0.00291399/step, 1.49326 hours remaining, 206.832031 MB of memory in use. ENERGY: 3155200 834.0623 2121.9361 1922.8101 108.1242 -206951.1608 17964.7626 0.0000 0.0000 34464.5854 -149534.8799 300.9878 -183999.4654 -149439.4604 298.9918 -26.2575 3.1213 555321.2050 14.3547 14.3324 PRESSURE: 3155400 87.3658 -37.2022 -75.5158 -37.2021 -110.818 -2.1754 -75.5177 -2.17594 -232.435 GPRESSURE: 3155400 68.9087 -54.603 -48.9153 7.22267 -46.8914 32.9986 -53.4961 -8.59609 -172.612 PRESSAVG: 3155400 8.92339 36.7855 -23.0808 36.7856 7.08825 -29.9218 -23.0808 -29.9219 17.3663 GPRESSAVG: 3155400 8.89044 34.4078 -23.7231 35.8806 7.54717 -29.2662 -20.966 -29.0409 16.8678 TIMING: 3155400 CPU: 9400.41, 0.00291865/step Wall: 9400.41, 0.00291865/step, 1.49548 hours remaining, 206.832031 MB of memory in use. ENERGY: 3155400 729.8236 2057.0207 1914.5059 100.6174 -206420.2591 17767.5691 0.0000 0.0000 34323.8390 -149526.8835 299.7586 -183850.7225 -149428.4597 298.5871 -85.2957 -50.1983 557657.3524 11.1260 11.1018 PRESSURE: 3155600 -124.872 280.648 -78.6996 280.648 -115.18 168.655 -78.6984 168.654 -301.817 GPRESSURE: 3155600 -136.841 254.658 -13.599 270.97 -52.4777 200.883 -45.2243 117.189 -257.002 PRESSAVG: 3155600 47.0078 14.8812 -19.6051 14.8811 -11.1125 26.0549 -19.6051 26.0548 -6.07303 GPRESSAVG: 3155600 48.7252 14.9883 -19.2454 15.7488 -13.2474 24.0611 -19.5844 25.1909 -5.9371 TIMING: 3155600 CPU: 9401, 0.00293279/step Wall: 9401, 0.00293279/step, 1.50256 hours remaining, 206.832031 MB of memory in use. ENERGY: 3155600 725.0162 2103.4587 1916.6948 118.9527 -206109.1213 17574.0582 0.0000 0.0000 34131.0383 -149539.9025 298.0748 -183670.9408 -149428.8831 298.4687 -180.6228 -148.7736 558252.3835 9.9408 9.8469 PRESSURE: 3155800 138.763 161.919 -27.0502 161.916 -229.431 16.8199 -27.0504 16.8185 -77.6194 GPRESSURE: 3155800 111.239 118.511 -29.9269 224.99 -130.04 39.6002 7.17246 69.1442 -43.0365 PRESSAVG: 3155800 11.325 31.6448 -20.3763 31.6448 -47.7746 -3.27245 -20.3763 -3.2724 13.3043 GPRESSAVG: 3155800 10.2289 31.6121 -19.77 33.109 -46.6043 0.249172 -21.4937 -3.84892 13.136 TIMING: 3155800 CPU: 9401.59, 0.00293922/step Wall: 9401.59, 0.00293922/step, 1.5057 hours remaining, 206.832031 MB of memory in use. ENERGY: 3155800 749.0583 2100.3860 1892.9560 104.8647 -206213.6116 17696.1665 0.0000 0.0000 34203.9285 -149466.2516 298.7114 -183670.1802 -149371.3982 298.4276 -56.0960 -20.6126 557939.9120 -7.7151 -7.7465 PRESSURE: 3156000 -191.247 48.1388 117.954 48.1394 38.7402 21.6274 117.955 21.6266 69.6649 GPRESSURE: 3156000 -166.752 37.3777 44.005 63.5124 104.666 35.4358 103.96 -11.1209 82.0518 PRESSAVG: 3156000 -2.11256 6.58017 1.83917 6.58012 32.7213 40.4741 1.83929 40.4743 -28.5556 GPRESSAVG: 3156000 -1.83604 7.55933 2.82483 7.37494 31.8692 38.4052 -0.266219 40.5195 -28.0419 TIMING: 3156000 CPU: 9402.18, 0.00294023/step Wall: 9402.18, 0.00294023/step, 1.50605 hours remaining, 206.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3156000 799.5411 2076.0771 1929.1413 103.2699 -206113.1872 17838.2243 0.0000 0.0000 33988.6202 -149378.3132 296.8311 -183366.9335 -149283.5784 298.5119 -27.6141 6.6550 558350.9191 0.6844 0.6638 PRESSURE: 3156200 -129.609 -88.5843 -64.3113 -88.5839 62.1519 6.48512 -64.3106 6.48505 -47.6392 GPRESSURE: 3156200 -123.096 -19.067 -23.7263 -39.9639 72.5046 -48.0237 1.69315 8.34371 30.5949 PRESSAVG: 3156200 -44.2663 -20.3886 31.3462 -20.3886 12.628 -19.0886 31.3462 -19.0886 58.7246 GPRESSAVG: 3156200 -44.5711 -20.872 30.9424 -22.4847 12.7139 -19.5602 32.5428 -14.4475 58.7821 TIMING: 3156200 CPU: 9402.76, 0.00293329/step Wall: 9402.76, 0.00293329/step, 1.50233 hours remaining, 206.832031 MB of memory in use. ENERGY: 3156200 729.0668 2070.6189 1946.9405 103.1383 -206218.5451 17898.2620 0.0000 0.0000 34193.2442 -149277.2745 298.6181 -183470.5187 -149176.7151 298.6935 -38.3654 -6.6656 559069.5112 9.0288 8.9750 LDB: ============= START OF LOAD BALANCING ============== 9406.31 LDB: ============== END OF LOAD BALANCING =============== 9406.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9406.31 LDB: ============= START OF LOAD BALANCING ============== 9406.6 LDB: Largest compute 4802 load 0.024044 is 20.3% of average load 0.118170 LDB: Average compute 0.001730 is 1.5% of average load 0.118170 LDB: TIME 9406.6 LOAD: AVG 0.11817 MAX 0.194105 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.793 MB LDB: TIME 9406.6 LOAD: AVG 0.11817 MAX 0.194105 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: TIME 9406.6 LOAD: AVG 0.11817 MAX 0.194105 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9406.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9406.61 PRESSURE: 3156400 33.8112 -49.927 -114.254 -49.9268 -219.663 27.2028 -114.256 27.2033 -53.0424 GPRESSURE: 3156400 79.7978 -131.421 -108.702 10.4779 -166.716 69.0315 -163.669 -39.9226 -44.5234 PRESSAVG: 3156400 -27.6739 29.1185 -57.5862 29.1184 -30.2716 -11.5572 -57.5862 -11.5574 12.0625 GPRESSAVG: 3156400 -28.6229 29.2659 -57.7443 29.1401 -29.1678 -10.505 -57.5323 -15.4001 11.98 TIMING: 3156400 CPU: 9403.36, 0.00296771/step Wall: 9403.36, 0.00296771/step, 1.5198 hours remaining, 207.246094 MB of memory in use. ENERGY: 3156400 709.2201 2085.9236 1947.2107 124.1242 -205900.2364 17645.5707 0.0000 0.0000 34240.8297 -149147.3575 299.0337 -183388.1871 -149051.7431 298.6636 -79.6313 -43.8138 560104.5331 -15.2943 -15.2702 PRESSURE: 3156600 40.1634 -107.013 -34.5337 -107.013 -362.304 102.317 -34.5333 102.315 -111.071 GPRESSURE: 3156600 62.3094 -31.4604 -147.584 -158.067 -348.447 48.804 36.9249 82.1547 -40.7958 PRESSAVG: 3156600 31.9657 34.1746 -92.7302 34.1747 -87.6546 -9.4675 -92.7302 -9.46737 -13.8659 GPRESSAVG: 3156600 31.7337 36.2943 -94.0153 33.6151 -89.2712 -10.3605 -88.9956 -8.25216 -12.6326 TIMING: 3156600 CPU: 9403.94, 0.00289534/step Wall: 9403.94, 0.00289534/step, 1.48257 hours remaining, 207.449219 MB of memory in use. ENERGY: 3156600 779.4366 2084.7781 1928.9507 107.3417 -205920.2369 17731.3234 0.0000 0.0000 34169.2545 -149119.1518 298.4086 -183288.4063 -149020.6727 299.1594 -144.4040 -108.9778 560026.8912 -23.1849 -23.3900 PRESSURE: 3156800 -0.433709 89.7439 -39.8728 89.7443 -49.938 50.4602 -39.8727 50.4601 -284.106 GPRESSURE: 3156800 73.1222 8.58441 22.3973 81.4494 -53.4375 128.989 -84.7438 69.7653 -244.867 PRESSAVG: 3156800 -55.218 -10.9742 -9.97824 -10.9741 19.7214 23.3602 -9.9783 23.3602 26.9062 GPRESSAVG: 3156800 -55.0433 -13.5223 -9.93342 -10.345 21.1392 22.4742 -10.5922 24.9347 25.8218 TIMING: 3156800 CPU: 9404.52, 0.00291061/step Wall: 9404.52, 0.00291061/step, 1.49023 hours remaining, 207.449219 MB of memory in use. ENERGY: 3156800 727.4261 2141.8270 1930.6892 111.4378 -206185.6739 17628.5354 0.0000 0.0000 34504.4677 -149141.2907 301.3361 -183645.7584 -149039.9194 299.9134 -111.4926 -75.0609 558291.1956 -2.8635 -2.6941 PRESSURE: 3157000 7.651 -168.699 227.359 -168.698 232.759 -42.5912 227.36 -42.5914 348.401 GPRESSURE: 3157000 108.559 -64.0529 181.701 -225.625 216.939 46.4835 231.655 -26.0156 366.164 PRESSAVG: 3157000 17.6635 16.9234 4.16975 16.9234 -8.28009 24.2459 4.16972 24.2458 -17.0864 GPRESSAVG: 3157000 17.7233 15.9784 3.16757 16.997 -8.68228 23.8929 3.24419 23.8764 -17.2679 TIMING: 3157000 CPU: 9405.1, 0.00291471/step Wall: 9405.1, 0.00291472/step, 1.49217 hours remaining, 207.449219 MB of memory in use. ENERGY: 3157000 726.3984 2122.6833 1946.6491 92.2940 -206367.9475 18099.1719 0.0000 0.0000 34327.1666 -149053.5840 299.7877 -183380.7506 -148967.9009 299.4039 196.2703 230.5541 557474.1476 -2.5677 -2.7423 PRESSURE: 3157200 -203.346 -46.1041 -123.625 -46.1038 -381.609 50.4163 -123.625 50.4155 15.4787 GPRESSURE: 3157200 -120.235 -127.671 -128.42 -23.6348 -353.121 74.6228 -70.9342 23.3426 5.30345 PRESSAVG: 3157200 15.0338 17.991 10.4459 17.9911 -57.1624 -13.4686 10.4459 -13.4686 13.3965 GPRESSAVG: 3157200 14.7231 20.3038 12.4986 19.0388 -56.0773 -10.8298 9.34091 -13.978 12.4811 TIMING: 3157200 CPU: 9405.68, 0.00291114/step Wall: 9405.68, 0.00291114/step, 1.49018 hours remaining, 207.449219 MB of memory in use. ENERGY: 3157200 768.0878 2111.6966 1904.8764 111.4948 -205913.4584 17506.3863 0.0000 0.0000 34379.4730 -149131.4434 300.2445 -183510.9164 -149034.5908 299.7127 -189.8256 -156.0174 558685.4408 -9.5774 -9.6244 PRESSURE: 3157400 195.445 -83.5097 11.0147 -83.5102 -5.52443 -100.495 11.0145 -100.495 149.981 GPRESSURE: 3157400 228.486 -44.6645 -49.9679 -54.8 15.6648 -204.66 86.2115 -9.88874 179.849 PRESSAVG: 3157400 55.5717 11.6344 53.9758 11.6344 -48.3626 -32.1626 53.9759 -32.1625 -11.1048 GPRESSAVG: 3157400 54.3612 12.4398 50.243 9.78684 -49.1158 -33.7036 56.4262 -34.344 -9.14775 TIMING: 3157400 CPU: 9406.27, 0.00293525/step Wall: 9406.27, 0.00293525/step, 1.50236 hours remaining, 207.484375 MB of memory in use. ENERGY: 3157400 750.4946 2066.3010 1929.8259 116.5964 -206188.7046 17950.3596 0.0000 0.0000 34327.1121 -149048.0148 299.7872 -183375.1269 -148954.1113 299.7081 113.3006 141.3332 558055.5764 -1.2986 -1.3008 PRESSURE: 3157600 -172.5 128.464 -113.085 128.464 265.257 5.0198 -113.085 5.01816 -38.2559 GPRESSURE: 3157600 -105.566 91.7036 -92.7908 92.7428 244.004 -8.72335 -108.171 -13.003 19.3195 PRESSAVG: 3157600 -12.1879 5.79046 -35.6606 5.79049 48.2268 37.4816 -35.6606 37.4815 0.631198 GPRESSAVG: 3157600 -10.5687 4.77927 -32.2547 7.87917 48.2569 36.9241 -36.7657 37.6187 -1.42345 TIMING: 3157600 CPU: 9406.86, 0.00293223/step Wall: 9406.86, 0.00293223/step, 1.50065 hours remaining, 207.484375 MB of memory in use. ENERGY: 3157600 738.6652 2065.2241 1917.6303 137.6994 -205985.7539 17885.9099 0.0000 0.0000 34147.4335 -149093.1915 298.2180 -183240.6250 -148991.1322 299.7351 18.1669 52.5860 558264.1444 12.2234 12.0882 PRESSURE: 3157800 -314.822 66.5604 41.3909 66.5619 41.7365 -67.5773 41.3903 -67.5777 -106.198 GPRESSURE: 3157800 -300.861 28.1459 32.0043 16.6315 58.2574 -21.7442 91.2327 -73.3854 -42.215 PRESSAVG: 3157800 -64.2997 -10.5716 5.66724 -10.5716 5.00395 6.8138 5.66724 6.8137 56.1594 GPRESSAVG: 3157800 -65.9147 -12.0292 6.42487 -11.0673 5.55441 7.53527 4.62486 9.34713 57.3041 TIMING: 3157800 CPU: 9407.45, 0.00296547/step Wall: 9407.45, 0.00296547/step, 1.5175 hours remaining, 207.484375 MB of memory in use. ENERGY: 3157800 770.1492 2106.5063 1936.1481 112.8438 -205933.1135 17738.8269 0.0000 0.0000 34015.6847 -149252.9544 297.0674 -183268.6392 -149150.2505 298.5062 -126.4281 -94.9397 557537.9599 -1.0454 -1.0187 PRESSURE: 3158000 116.436 -94.2192 -48.766 -94.2196 454.224 -6.81222 -48.7672 -6.81184 314.622 GPRESSURE: 3158000 156.5 -49.6634 -42.6447 -152.103 436.86 -5.58279 -32.6715 -31.1799 396.872 PRESSAVG: 3158000 -67.9148 -39.2891 -15.3524 -39.2891 1.36875 -52.0082 -15.3523 -52.0082 102.956 GPRESSAVG: 3158000 -67.9576 -39.0547 -16.1919 -40.642 0.428887 -53.1796 -14.5173 -54.0793 103.786 TIMING: 3158000 CPU: 9408.04, 0.00297303/step Wall: 9408.04, 0.00297303/step, 1.5212 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3158000 714.8928 2128.6144 1924.6997 112.8485 -206596.1333 18028.8259 0.0000 0.0000 34439.0836 -149247.1685 300.7651 -183686.2520 -149156.3705 298.8708 295.0943 330.0777 555793.8839 12.1367 12.0857 PRESSURE: 3158200 7.8956 -134.331 10.9406 -134.332 -143.498 -33.3626 10.9418 -33.3635 56.2688 GPRESSURE: 3158200 -7.08529 -190.926 -36.0082 -24.7205 -42.8474 -65.0422 10.4436 -67.9401 53.2263 PRESSAVG: 3158200 -55.32 32.0454 70.2804 32.0453 56.2017 -48.6538 70.2805 -48.6538 4.38707 GPRESSAVG: 3158200 -53.6917 34.7405 68.3648 32.7464 54.8646 -46.0224 71.6326 -49.3805 3.79904 TIMING: 3158200 CPU: 9408.63, 0.00293562/step Wall: 9408.63, 0.00293562/step, 1.50189 hours remaining, 207.484375 MB of memory in use. ENERGY: 3158200 769.9212 2073.5451 1941.5059 115.8533 -206421.9773 17773.1522 0.0000 0.0000 34513.8032 -149234.1963 301.4176 -183747.9995 -149141.5580 299.2583 -26.4445 1.0979 556991.0773 1.7563 1.6573 PRESSURE: 3158400 -242.751 20.0962 -19.2902 20.0973 -258.154 88.0716 -19.29 88.0691 -14.8534 GPRESSURE: 3158400 -174.627 77.7786 -45.0793 35.2362 -209.531 102.328 -39.5022 22.1418 -28.4327 PRESSAVG: 3158400 2.79787 35.2878 36.1216 35.2879 -86.4644 31.3569 36.1216 31.3571 25.7178 GPRESSAVG: 3158400 2.29813 34.1755 40.4685 36.178 -85.952 30.7973 33.5349 30.5028 25.7531 TIMING: 3158400 CPU: 9409.22, 0.00292126/step Wall: 9409.22, 0.00292126/step, 1.49439 hours remaining, 207.484375 MB of memory in use. ENERGY: 3158400 743.0430 2122.3489 1921.2154 115.3879 -205619.7929 17312.7307 0.0000 0.0000 34207.0007 -149198.0663 298.7382 -183405.0670 -149095.4646 299.7753 -171.9193 -137.5303 556248.3768 -19.3162 -19.3003 PRESSURE: 3158600 117.8 42.1779 -20.5633 42.1777 -144.719 8.55404 -20.5639 8.55471 -21.1088 GPRESSURE: 3158600 106.66 -16.7462 15.1081 37.0718 -34.0524 2.62846 -55.9889 -6.23983 -12.8749 PRESSAVG: 3158600 95.4614 -6.74953 42.1581 -6.74954 -69.8233 3.72219 42.1582 3.72217 -0.619461 GPRESSAVG: 3158600 94.8334 -8.25233 40.1636 -7.40437 -69.5945 4.27284 43.5364 3.29584 -0.756574 TIMING: 3158600 CPU: 9409.8, 0.00294123/step Wall: 9409.8, 0.00294123/step, 1.50444 hours remaining, 207.484375 MB of memory in use. ENERGY: 3158600 745.1182 2107.3721 1940.5651 115.3206 -205705.1745 17434.3447 0.0000 0.0000 34272.0925 -149090.3611 299.3067 -183362.4537 -148997.1218 299.7865 -16.0092 19.9109 555805.4196 8.3396 8.1608 PRESSURE: 3158800 210.877 -38.111 -26.9266 -38.1108 -27.0644 14.5221 -26.9274 14.521 30.8096 GPRESSURE: 3158800 205.522 -46.5141 -7.75125 -27.0624 47.4689 -41.0008 -171.606 55.9558 59.7568 PRESSAVG: 3158800 7.46507 -35.2447 35.7011 -35.2446 -70.3901 -18.0491 35.7011 -18.0491 73.5332 GPRESSAVG: 3158800 8.15483 -35.8432 36.5167 -35.2729 -70.524 -21.307 34.3608 -14.32 72.7809 TIMING: 3158800 CPU: 9410.39, 0.00293254/step Wall: 9410.39, 0.00293254/step, 1.49983 hours remaining, 207.484375 MB of memory in use. ENERGY: 3158800 744.1132 2085.7832 1907.6175 121.0080 -206159.3947 17899.6710 0.0000 0.0000 34276.6735 -149124.5284 299.3467 -183401.2019 -149034.4931 299.1520 71.5407 104.2491 556414.7113 3.5361 3.4706 PRESSURE: 3159000 305.498 -124.853 -32.4279 -124.854 168.862 -107.701 -32.4281 -107.7 100.05 GPRESSURE: 3159000 345.182 -166.42 3.06434 -90.511 194.975 -111.815 3.48407 -71.0663 123.359 PRESSAVG: 3159000 33.5237 -43.1704 -5.2212 -43.1704 59.2615 25.2487 -5.22115 25.2489 -90.2209 GPRESSAVG: 3159000 33.2379 -44.4976 -5.14352 -40.1378 60.3946 24.944 -3.10586 25.1033 -90.8253 TIMING: 3159000 CPU: 9410.98, 0.00294818/step Wall: 9410.98, 0.00294818/step, 1.50767 hours remaining, 207.484375 MB of memory in use. ENERGY: 3159000 710.9882 2106.3154 1926.7305 104.8083 -205928.7229 17957.9489 0.0000 0.0000 34145.8989 -148976.0326 298.2046 -183121.9315 -148881.4781 299.4938 191.4699 221.1720 556159.6492 0.8548 0.9357 PRESSURE: 3159200 -84.1231 10.5002 44.5391 10.4995 -128.968 187.202 44.539 187.203 226.993 GPRESSURE: 3159200 6.52799 15.4444 6.70425 24.8053 -150.627 122.763 121.679 202.385 239.097 PRESSAVG: 3159200 4.47479 -37.263 25.5981 -37.2631 -37.0174 49.6564 25.5981 49.6563 -14.4589 GPRESSAVG: 3159200 5.89538 -35.4904 24.4766 -38.9196 -38.5083 52.7475 24.9688 46.3201 -14.2151 TIMING: 3159200 CPU: 9411.57, 0.0029623/step Wall: 9411.57, 0.0029623/step, 1.51472 hours remaining, 207.484375 MB of memory in use. ENERGY: 3159200 771.8085 2113.3698 1904.8018 118.1230 -205845.8905 17661.2500 0.0000 0.0000 34315.7757 -148960.7617 299.6882 -183276.5374 -148861.8138 299.5529 4.6340 31.6660 557684.1009 -15.6672 -15.6093 PRESSURE: 3159400 -19.0874 -104.189 -87.6307 -104.188 40.3088 3.99757 -87.6302 3.99764 35.4066 GPRESSURE: 3159400 -11.3585 -102.603 -65.7233 -178.208 108.983 35.3464 -99.425 51.0063 63.4046 PRESSAVG: 3159400 -31.0161 -34.1921 11.1901 -34.1922 50.2498 91.3842 11.1901 91.3842 15.8375 GPRESSAVG: 3159400 -31.2867 -33.4615 13.1885 -35.4896 50.1132 88.903 9.17775 94.0844 15.7804 TIMING: 3159400 CPU: 9412.17, 0.00298502/step Wall: 9412.17, 0.00298502/step, 1.52617 hours remaining, 207.484375 MB of memory in use. ENERGY: 3159400 758.7762 2086.8937 1938.5423 124.5117 -206040.9235 17733.3306 0.0000 0.0000 34229.6665 -149169.2024 298.9362 -183398.8689 -149080.0186 299.1273 18.8760 53.6764 557315.2387 11.6904 11.5357 PRESSURE: 3159600 40.7231 -81.1669 67.4742 -81.1676 -146.297 72.3057 67.474 72.3053 -89.8627 GPRESSURE: 3159600 65.5678 -42.6901 18.9929 -17.1748 -123.51 131.61 147.044 85.7766 -28.2758 PRESSAVG: 3159600 11.2966 13.0477 36.0925 13.0477 108.108 5.60422 36.0925 5.60422 -47.9123 GPRESSAVG: 3159600 11.3026 13.6412 33.4261 13.2783 108.769 6.5076 38.8229 3.28233 -49.3133 TIMING: 3159600 CPU: 9412.76, 0.00296414/step Wall: 9412.76, 0.00296414/step, 1.51534 hours remaining, 207.484375 MB of memory in use. ENERGY: 3159600 747.8634 2082.6071 1945.8196 107.8319 -206091.1655 17795.5710 0.0000 0.0000 34220.5210 -149190.9515 298.8563 -183411.4726 -149098.5251 299.4732 -65.1455 -28.7394 557409.0523 23.8307 23.5860 PRESSURE: 3159800 -82.5609 -158.941 28.2604 -158.94 -248.708 -103.602 28.2604 -103.603 252.887 GPRESSURE: 3159800 -90.3475 -175.858 20.5947 -177.088 -191.774 -140.526 28.2772 -96.8001 319.073 PRESSAVG: 3159800 -37.5213 0.972073 8.98534 0.97198 -17.6046 11.5326 8.9853 11.5326 67.3982 GPRESSAVG: 3159800 -38.1382 -0.968627 11.677 0.179731 -18.1167 12.3906 6.5857 12.5438 68.8629 TIMING: 3159800 CPU: 9413.35, 0.00295754/step Wall: 9413.35, 0.00295754/step, 1.5118 hours remaining, 207.484375 MB of memory in use. ENERGY: 3159800 753.1367 2132.9724 1936.3837 102.7073 -206148.2041 17849.5016 0.0000 0.0000 33993.5287 -149379.9737 296.8739 -183373.5024 -149278.8458 298.4364 -26.1271 12.3173 558716.3183 4.0907 4.2027 PRESSURE: 3160000 -228.215 -118.672 -106.78 -118.672 -141.252 -86.1483 -106.781 -86.1488 -132.411 GPRESSURE: 3160000 -213.714 -58.3 -193.101 -123.165 -101.224 -83.0513 -49.1807 -155.634 -79.3787 PRESSAVG: 3160000 -10.084 -46.4618 -34.2986 -46.4616 -74.6164 -22.8742 -34.2987 -22.8742 66.019 GPRESSAVG: 3160000 -10.1503 -42.9433 -36.2423 -47.0019 -73.7748 -23.7132 -35.4422 -21.8862 65.0372 TIMING: 3160000 CPU: 9413.94, 0.00293039/step Wall: 9413.94, 0.00293039/step, 1.49775 hours remaining, 207.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3160000 793.8285 2096.8154 1944.5446 105.1370 -206504.6125 17875.6352 0.0000 0.0000 34197.4808 -149491.1710 298.6551 -183688.6518 -149391.1061 298.6775 -167.2927 -131.4388 559424.7780 -6.2272 -6.2960 PRESSURE: 3160200 -50.2571 -103.909 -34.8332 -103.91 -319.613 185.884 -34.8334 185.884 -11.9049 GPRESSURE: 3160200 -57.1045 -38.5339 -21.9476 -159.862 -209.686 154.32 -129.273 150.294 -19.0233 PRESSAVG: 3160200 59.1828 -16.2535 -8.11348 -16.2535 -14.0252 33.6934 -8.11341 33.6934 20.9373 GPRESSAVG: 3160200 58.6034 -18.2408 -7.08359 -13.9699 -15.0412 34.2861 -6.74095 31.5353 22.2165 TIMING: 3160200 CPU: 9414.53, 0.00296117/step Wall: 9414.53, 0.00296117/step, 1.51332 hours remaining, 207.484375 MB of memory in use. ENERGY: 3160200 741.7159 2084.6260 1928.5328 113.6499 -206138.7117 17725.5419 0.0000 0.0000 34146.9738 -149397.6715 298.2140 -183544.6452 -149299.3147 299.3538 -127.2584 -95.2713 558670.5823 22.0316 21.9262 LDB: ============= START OF LOAD BALANCING ============== 9418.08 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9418.08 LDB: =============== DONE WITH MIGRATION ================ 9418.08 LDB: ============= START OF LOAD BALANCING ============== 9418.38 LDB: Largest compute 4802 load 0.025861 is 21.9% of average load 0.118155 LDB: Average compute 0.001735 is 1.5% of average load 0.118155 LDB: TIME 9418.38 LOAD: AVG 0.118155 MAX 0.199334 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 9418.38 LOAD: AVG 0.118155 MAX 0.199334 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.449 MB LDB: TIME 9418.38 LOAD: AVG 0.118155 MAX 0.199334 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.449 MB LDB: ============== END OF LOAD BALANCING =============== 9418.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9418.39 PRESSURE: 3160400 69.7232 2.65302 142.736 2.6536 56.692 222.52 142.737 222.519 -21.2561 GPRESSURE: 3160400 115.104 27.1365 123.154 -9.42563 150.827 234.069 124.651 196.011 -68.3246 PRESSAVG: 3160400 -14.0425 39.1402 -4.43752 39.1402 32.206 28.2125 -4.43751 28.2126 -23.841 GPRESSAVG: 3160400 -12.3425 39.7876 -4.90211 37.9946 32.1033 29.9103 -3.39563 28.9863 -24.8853 TIMING: 3160400 CPU: 9415.14, 0.00303281/step Wall: 9415.14, 0.00303281/step, 1.54977 hours remaining, 206.535156 MB of memory in use. ENERGY: 3160400 738.9382 2122.1890 1932.5859 96.5867 -206476.6098 17937.5324 0.0000 0.0000 34163.3572 -149485.4205 298.3571 -183648.7777 -149396.3345 298.9531 35.0530 65.8687 556950.5609 -1.8925 -1.7082 PRESSURE: 3160600 72.189 203.58 123.744 203.581 -9.04409 -132.654 123.744 -132.654 98.2429 GPRESSURE: 3160600 143.299 217.268 33.7178 151.027 -21.4888 5.51126 158.76 -211.838 147.107 PRESSAVG: 3160600 -98.7009 31.1114 -11.7391 31.1115 32.9174 69.8384 -11.7391 69.8384 31.267 GPRESSAVG: 3160600 -98.3283 31.0237 -11.3104 29.6124 32.3299 67.74 -12.4883 69.7798 31.4786 TIMING: 3160600 CPU: 9415.73, 0.00293992/step Wall: 9415.73, 0.00293992/step, 1.50214 hours remaining, 206.535156 MB of memory in use. ENERGY: 3160600 761.0364 2107.9264 1942.3583 117.3929 -206303.0658 17924.6067 0.0000 0.0000 34214.7102 -149235.0350 298.8056 -183449.7451 -149133.4876 298.9014 53.7959 89.6390 557130.3114 -11.5055 -11.5066 PRESSURE: 3160800 75.3932 163.46 60.3651 163.459 -215.221 21.1921 60.3659 21.1905 -159.322 GPRESSURE: 3160800 123.92 192.861 -11.1317 99.8326 -159.51 -1.14109 131.904 67.2187 -162.192 PRESSAVG: 3160800 -65.6929 26.7281 -24.9579 26.7281 19.3088 51.5958 -24.9578 51.5958 55.0746 GPRESSAVG: 3160800 -66.9092 26.8258 -23.6997 28.5695 21.0729 51.6232 -24.6788 51.4623 54.4182 TIMING: 3160800 CPU: 9416.32, 0.00294843/step Wall: 9416.32, 0.00294843/step, 1.50632 hours remaining, 206.535156 MB of memory in use. ENERGY: 3160800 763.8601 2139.2281 1922.7584 103.5095 -205994.2586 17780.9717 0.0000 0.0000 34189.7169 -149094.2138 298.5873 -183283.9308 -148998.1158 298.9655 -99.7165 -65.9277 559047.3164 2.8969 2.8607 PRESSURE: 3161000 23.0931 -3.59221 100.725 -3.59257 -5.61085 35.2042 100.727 35.2038 -53.5368 GPRESSURE: 3161000 74.6093 -31.1272 25.8598 -42.5182 1.36755 50.8454 174.644 -17.5554 -12.0813 PRESSAVG: 3161000 21.0428 -6.82258 23.2217 -6.82254 -79.0727 6.64199 23.2217 6.64205 15.8464 GPRESSAVG: 3161000 22.003 -6.69714 22.4271 -7.68372 -79.9815 5.49822 23.3257 6.76511 16.0497 TIMING: 3161000 CPU: 9416.91, 0.00295466/step Wall: 9416.91, 0.00295466/step, 1.50934 hours remaining, 206.535156 MB of memory in use. ENERGY: 3161000 741.4523 2089.1874 1911.9607 97.0968 -205954.2006 17640.0752 0.0000 0.0000 34189.8701 -149284.5580 298.5886 -183474.4282 -149186.9494 299.6490 -12.0182 21.2985 557337.8235 -14.0612 -13.9762 PRESSURE: 3161200 -24.0254 76.4441 15.6053 76.4446 -395.337 20.5102 15.604 20.5102 7.49802 GPRESSURE: 3161200 -33.6069 71.8053 27.708 123.553 -320.459 10.9292 52.5958 0.260569 56.2538 PRESSAVG: 3161200 24.848 29.6878 -7.23479 29.6878 -1.34867 -57.1928 -7.23488 -57.1928 0.652616 GPRESSAVG: 3161200 25.1571 30.2544 -6.4022 28.5763 -2.15517 -54.5502 -6.07469 -57.314 1.05169 TIMING: 3161200 CPU: 9417.49, 0.00293279/step Wall: 9417.49, 0.00293279/step, 1.498 hours remaining, 206.535156 MB of memory in use. ENERGY: 3161200 752.8252 2097.0335 1922.4671 120.6948 -206111.8390 17520.5398 0.0000 0.0000 34449.2553 -149249.0232 300.8539 -183698.2785 -149150.9488 299.4899 -137.2881 -99.2708 556843.7350 8.0507 8.0179 PRESSURE: 3161400 -255.403 -162.622 39.8402 -162.623 -224.2 72.3922 39.8397 72.3921 -110.704 GPRESSURE: 3161400 -239.488 -153.253 35.2963 -135.718 -204.569 47.138 87.9785 39.2959 -52.3932 PRESSAVG: 3161400 -74.5535 -2.74063 3.53679 -2.74067 -19.7652 -28.797 3.53674 -28.797 53.7932 GPRESSAVG: 3161400 -76.8337 -4.6785 2.79799 -2.0715 -17.4693 -30.3485 3.05045 -28.0448 53.6579 TIMING: 3161400 CPU: 9418.08, 0.00292175/step Wall: 9418.08, 0.00292175/step, 1.4922 hours remaining, 206.535156 MB of memory in use. ENERGY: 3161400 721.7514 2111.9148 1895.4075 116.6871 -205987.5685 17367.0465 0.0000 0.0000 34352.5710 -149422.1903 300.0095 -183774.7613 -149322.9699 299.9476 -196.7692 -165.4832 556827.1503 -13.5085 -13.5484 PRESSURE: 3161600 -129.436 144.667 -76.5741 144.665 12.6329 117.992 -76.5743 117.99 199.054 GPRESSURE: 3161600 -77.2627 39.6565 -41.4342 167.866 -5.99622 102.346 -160.544 74.5698 248.873 PRESSAVG: 3161600 -35.9087 -25.9395 62.2414 -25.9396 5.1556 -56.731 62.2414 -56.731 56.6114 GPRESSAVG: 3161600 -35.2073 -27.0808 59.7143 -25.8265 4.08941 -57.9094 63.4361 -57.6921 56.8522 TIMING: 3161600 CPU: 9418.66, 0.00292527/step Wall: 9418.66, 0.00292527/step, 1.49384 hours remaining, 206.535156 MB of memory in use. ENERGY: 3161600 740.6453 2070.4302 1909.9795 111.1210 -206434.2797 17992.5873 0.0000 0.0000 34312.9825 -149296.5339 299.6638 -183609.5165 -149197.2828 299.3271 27.4168 55.2047 556020.5439 8.6194 8.5781 PRESSURE: 3161800 134.818 65.1444 64.8617 65.1425 -292.222 89.2649 64.8622 89.2638 186.929 GPRESSURE: 3161800 135.476 104.545 47.2662 71.7989 -201.399 35.4067 109.228 134.222 203.096 PRESSAVG: 3161800 48.5395 6.76604 71.214 6.76594 -82.8032 -12.1702 71.2139 -12.1702 38.1205 GPRESSAVG: 3161800 49.9522 6.10118 72.6624 8.89945 -83.143 -10.2805 69.0529 -11.7958 37.1505 TIMING: 3161800 CPU: 9419.25, 0.00295139/step Wall: 9419.25, 0.00295139/step, 1.50701 hours remaining, 206.535156 MB of memory in use. ENERGY: 3161800 758.2075 2054.5900 1923.4612 125.1237 -206327.3124 17893.5680 0.0000 0.0000 34372.7968 -149199.5651 300.1862 -183572.3619 -149098.0843 299.6900 9.8417 45.7246 557148.4401 1.2856 1.3199 PRESSURE: 3162000 41.1628 115.63 61.7574 115.63 -105.484 101.046 61.7569 101.046 -204.004 GPRESSURE: 3162000 40.7584 75.0457 51.6545 194.586 -42.331 59.5199 -37.0825 129.206 -163.911 PRESSAVG: 3162000 37.2479 56.0639 9.91997 56.0638 19.6948 13.6929 9.92004 13.6928 -27.3847 GPRESSAVG: 3162000 37.4669 59.5893 12.7939 55.1341 19.8581 11.6819 8.80495 13.2919 -28.5204 TIMING: 3162000 CPU: 9419.84, 0.00295084/step Wall: 9419.84, 0.00295084/step, 1.50657 hours remaining, 206.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3162000 747.7394 2088.8533 1938.5915 124.0301 -205946.0252 17769.7595 0.0000 0.0000 34236.1223 -149040.9293 298.9926 -183277.0516 -148944.0782 300.2636 -89.4417 -55.1611 559131.1546 9.8527 9.6015 PRESSURE: 3162200 -82.4329 36.5354 144.924 36.5362 -140.178 48.3913 144.923 48.3913 56.1281 GPRESSURE: 3162200 -53.5043 15.9146 83.073 75.3197 -148.975 33.0579 161.36 61.7174 136.068 PRESSAVG: 3162200 41.0151 21.1025 80.5515 21.1026 -95.5054 11.0182 80.5515 11.0182 52.3969 GPRESSAVG: 3162200 40.6331 20.896 77.9922 18.1684 -96.2445 13.9883 83.5773 11.9378 53.8964 TIMING: 3162200 CPU: 9420.43, 0.00291811/step Wall: 9420.43, 0.00291811/step, 1.48969 hours remaining, 206.535156 MB of memory in use. ENERGY: 3162200 765.1202 2102.6220 1931.0462 120.5215 -206379.7140 17899.4964 0.0000 0.0000 34327.3611 -149233.5466 299.7894 -183560.9077 -149141.0774 299.3566 -55.4942 -22.1368 557932.1009 -0.6978 -0.5717 PRESSURE: 3162400 -137.811 -23.7858 -121.619 -23.7861 -290.46 -29.0423 -121.619 -29.042 -32.0052 GPRESSURE: 3162400 -162.73 31.1243 -183.746 -74.9882 -196.756 -123.63 -65.6607 50.7048 -6.724 PRESSAVG: 3162400 3.95874 27.4662 36.7665 27.4661 -41.7642 23.9911 36.7664 23.9911 57.472 GPRESSAVG: 3162400 3.28628 26.1819 36.5778 29.3154 -41.9845 23.44 37.2688 23.0763 58.2443 TIMING: 3162400 CPU: 9421.02, 0.00294378/step Wall: 9421.02, 0.00294378/step, 1.50263 hours remaining, 206.535156 MB of memory in use. ENERGY: 3162400 750.0900 2064.7447 1929.7275 117.0289 -205953.7377 17558.2806 0.0000 0.0000 34536.3732 -148997.4928 301.6147 -183533.8660 -148895.9377 299.7393 -153.4253 -122.0700 558743.7496 6.5555 6.5154 PRESSURE: 3162600 46.8128 34.0018 -155.866 34.0016 183.364 -63.3796 -155.866 -63.3804 -31.2959 GPRESSURE: 3162600 85.0712 7.32551 -169.998 48.2036 232.066 -38.7206 -149.369 -63.343 -19.605 PRESSAVG: 3162600 -10.8178 21.7144 29.8363 21.7145 -45.9004 -45.1621 29.8365 -45.162 70.0898 GPRESSAVG: 3162600 -10.7255 22.0541 31.0461 22.2289 -44.6235 -45.899 26.9213 -44.8629 69.1004 TIMING: 3162600 CPU: 9421.6, 0.00293265/step Wall: 9421.6, 0.00293265/step, 1.49679 hours remaining, 206.535156 MB of memory in use. ENERGY: 3162600 748.0256 2119.9428 1920.1705 108.6973 -205838.9300 17758.1352 0.0000 0.0000 34222.0433 -148961.9153 298.8696 -183183.9586 -148864.8966 300.1052 66.2937 99.1773 557884.3209 4.4572 4.5838 PRESSURE: 3162800 125.248 26.0556 -85.6419 26.0548 -24.162 -86.144 -85.6422 -86.1433 66.505 GPRESSURE: 3162800 153.261 -33.3518 -143.348 65.4705 28.3779 -17.0716 -16.3454 -100.315 83.2304 PRESSAVG: 3162800 17.1299 -10.4767 -2.82635 -10.4766 18.7488 76.4511 -2.82641 76.4511 -51.0606 GPRESSAVG: 3162800 17.42 -12.6137 -3.15558 -11.313 17.6821 76.2409 -0.971482 77.9006 -50.412 TIMING: 3162800 CPU: 9422.19, 0.00294615/step Wall: 9422.19, 0.00294615/step, 1.50352 hours remaining, 206.535156 MB of memory in use. ENERGY: 3162800 713.9903 2108.9754 1927.0526 108.4226 -205741.8549 17805.3014 0.0000 0.0000 34240.1109 -148838.0019 299.0274 -183078.1128 -148744.8658 300.4875 55.8636 88.2898 558511.1568 -5.0607 -5.1033 PRESSURE: 3163000 -184.816 -73.1798 -18.5453 -73.1793 -120.308 -44.7235 -18.5457 -44.724 -188.341 GPRESSURE: 3163000 -126.346 -79.5031 -61.5194 -46.6163 -114.948 -103.562 27.47 -69.0096 -141.853 PRESSAVG: 3163000 2.18174 13.4783 16.7129 13.4782 12.0484 -57.6243 16.7129 -57.6242 0.454754 GPRESSAVG: 3163000 1.79733 15.4475 15.9194 11.7989 12.6734 -57.5529 17.5728 -59.305 -0.261076 TIMING: 3163000 CPU: 9422.78, 0.00294952/step Wall: 9422.78, 0.00294952/step, 1.50507 hours remaining, 206.535156 MB of memory in use. ENERGY: 3163000 739.6819 2087.9420 1922.6884 109.8630 -205501.4194 17582.5052 0.0000 0.0000 34275.5989 -148783.1400 299.3373 -183058.7389 -148691.6054 300.3600 -164.4885 -127.7156 559572.6885 4.8950 4.7365 PRESSURE: 3163200 -85.9744 29.3006 -34.9904 29.2998 -173.289 105.074 -34.9903 105.074 -3.07383 GPRESSURE: 3163200 -40.0796 -84.0589 -39.2214 130.877 -120.088 101.038 -1.48123 83.6163 -11.8736 PRESSAVG: 3163200 4.35221 -27.1669 -51.2857 -27.1669 28.9562 -27.8134 -51.2856 -27.8135 -11.6636 GPRESSAVG: 3163200 4.93283 -28.9688 -51.0208 -25.1137 27.4903 -28.9376 -51.8156 -27.1166 -11.1502 TIMING: 3163200 CPU: 9423.37, 0.00295471/step Wall: 9423.37, 0.00295471/step, 1.50756 hours remaining, 206.535156 MB of memory in use. ENERGY: 3163200 739.9789 2033.5729 1942.8367 120.2713 -205636.0479 17591.6682 0.0000 0.0000 34381.0981 -148826.6217 300.2587 -183207.7199 -148733.0726 299.6097 -87.4457 -57.3472 558548.8277 7.2149 7.0910 PRESSURE: 3163400 -26.5914 77.3093 42.184 77.308 -126.153 100.953 42.1836 100.951 -46.6195 GPRESSURE: 3163400 -33.215 56.4743 71.5016 72.7487 -53.5947 108.971 33.7787 95.4406 -21.3714 PRESSAVG: 3163400 -17.4296 -19.0931 2.14235 -19.0932 -43.2446 3.63144 2.14243 3.63145 65.3741 GPRESSAVG: 3163400 -18.3115 -17.6805 3.41278 -20.6731 -41.9723 5.57962 1.58223 1.62531 65.1499 TIMING: 3163400 CPU: 9423.96, 0.00292342/step Wall: 9423.96, 0.00292342/step, 1.49143 hours remaining, 206.535156 MB of memory in use. ENERGY: 3163400 768.7180 2057.2976 1935.8419 127.5057 -205765.4960 17703.3135 0.0000 0.0000 34242.5491 -148930.2701 299.0487 -183172.8192 -148832.3461 300.1541 -66.4545 -36.0604 557995.4772 1.5666 1.6220 PRESSURE: 3163600 66.508 17.1534 -43.4818 17.1534 -122.488 33.4403 -43.4828 33.4413 -195.822 GPRESSURE: 3163600 91.1332 106.398 53.2195 -9.92007 -107.172 59.3395 -49.3767 115.084 -133.981 PRESSAVG: 3163600 47.9604 -32.6656 -48.0034 -32.6655 -58.4592 24.8412 -48.0033 24.8411 -3.86459 GPRESSAVG: 3163600 46.1809 -31.3143 -48.1267 -33.3166 -58.9569 25.9125 -46.7502 23.2845 -1.52052 TIMING: 3163600 CPU: 9424.54, 0.00293026/step Wall: 9424.54, 0.00293025/step, 1.49476 hours remaining, 206.535156 MB of memory in use. ENERGY: 3163600 785.0633 2086.6613 1936.0838 122.1742 -205964.3038 17611.6675 0.0000 0.0000 34478.2198 -148944.4339 301.1069 -183422.6537 -148847.4685 300.0055 -83.9339 -50.0068 557582.5086 -4.7878 -4.7655 PRESSURE: 3163800 -113.183 35.7111 -172.077 35.7114 -156.018 76.6014 -172.075 76.6017 156.423 GPRESSURE: 3163800 -72.4512 -27.6345 -186.277 76.933 -95.0877 27.6396 -161.027 85.8891 171.416 PRESSAVG: 3163800 58.95 -38.9406 -19.4621 -38.9407 -9.96318 15.4879 -19.4621 15.488 -8.78955 GPRESSAVG: 3163800 60.1247 -37.3076 -19.5042 -37.9117 -9.28113 15.9649 -21.1187 15.7803 -9.95911 TIMING: 3163800 CPU: 9425.13, 0.00293332/step Wall: 9425.13, 0.00293332/step, 1.49616 hours remaining, 206.535156 MB of memory in use. ENERGY: 3163800 764.2093 2073.1453 1920.0705 114.0246 -205733.7060 17639.9420 0.0000 0.0000 34380.0705 -148842.2437 300.2497 -183222.3142 -148751.6173 300.1845 -37.5927 1.2922 557305.9342 13.3991 13.6282 PRESSURE: 3164000 -5.98882 29.289 201.505 29.2892 170.246 -74.1593 201.504 -74.1582 -27.792 GPRESSURE: 3164000 11.957 30.37 212.503 -9.94792 229.841 -118.672 167.832 -70.7446 -16.4461 PRESSAVG: 3164000 -5.17961 36.6226 36.6987 36.6225 -78.7592 -0.356225 36.6987 -0.356323 48.8071 GPRESSAVG: 3164000 -5.11947 33.8611 36.049 37.6538 -78.1265 -1.23952 37.4937 0.742994 47.6881 TIMING: 3164000 CPU: 9425.71, 0.00290997/step Wall: 9425.71, 0.00290997/step, 1.48408 hours remaining, 206.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3164000 704.9971 2156.9009 1925.6598 110.8812 -205553.8425 17627.5506 0.0000 0.0000 34064.3604 -148963.4925 297.4925 -183027.8529 -148883.3176 300.6443 45.4883 75.1172 558265.3191 -11.7106 -11.8526 PRESSURE: 3164200 -153.418 -59.0259 -82.2236 -59.0273 166.924 -80.3855 -82.2232 -80.3848 -202.116 GPRESSURE: 3164200 -79.374 -103.973 -99.5324 -12.5504 154.919 31.0237 -83.8992 -79.1852 -170.996 PRESSAVG: 3164200 -38.9238 -1.04656 2.30784 -1.04659 26.6173 9.8186 2.30784 9.81865 28.8821 GPRESSAVG: 3164200 -38.5169 0.889622 2.47504 -1.44496 25.6805 7.44137 1.86431 11.9604 30.1027 TIMING: 3164200 CPU: 9426.29, 0.00290069/step Wall: 9426.29, 0.00290069/step, 1.47919 hours remaining, 206.535156 MB of memory in use. ENERGY: 3164200 772.9132 2068.0470 1895.6253 116.5085 -206089.3392 17717.6956 0.0000 0.0000 34348.3621 -149170.1876 299.9728 -183518.5497 -149072.6800 300.0449 -62.8703 -31.8173 558067.6879 5.5252 5.7554 LDB: ============= START OF LOAD BALANCING ============== 9429.84 LDB: ============== END OF LOAD BALANCING =============== 9429.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9429.84 LDB: ============= START OF LOAD BALANCING ============== 9430.13 LDB: Largest compute 4772 load 0.025324 is 21.4% of average load 0.118170 LDB: Average compute 0.001740 is 1.5% of average load 0.118170 LDB: TIME 9430.13 LOAD: AVG 0.11817 MAX 0.195161 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.078 MB LDB: TIME 9430.13 LOAD: AVG 0.11817 MAX 0.195161 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.141 MB LDB: TIME 9430.13 LOAD: AVG 0.11817 MAX 0.195161 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.141 MB LDB: ============== END OF LOAD BALANCING =============== 9430.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9430.14 PRESSURE: 3164400 71.5837 -152.631 254.402 -152.63 67.2326 15.841 254.402 15.8413 -52.3049 GPRESSURE: 3164400 15.7297 -124.158 232.234 -121.518 140.915 -13.4571 153.032 29.5685 11.2079 PRESSAVG: 3164400 -33.3195 42.9139 -8.20166 42.9139 27.3434 4.28008 -8.20154 4.28007 -50.5388 GPRESSAVG: 3164400 -34.2144 43.7273 -8.57499 41.7692 28.1079 6.63725 -8.69632 2.12145 -50.5485 TIMING: 3164400 CPU: 9426.89, 0.00299008/step Wall: 9426.89, 0.00299008/step, 1.52461 hours remaining, 208.074219 MB of memory in use. ENERGY: 3164400 761.3669 2125.4584 1907.2263 118.2401 -206255.5764 17843.8930 0.0000 0.0000 34341.3416 -149158.0502 299.9115 -183499.3918 -149056.5688 299.3550 28.8371 55.9510 558192.0706 -18.8383 -18.8850 PRESSURE: 3164600 -305.429 -3.96485 -106.537 -3.9653 -458.869 -140.385 -106.537 -140.386 -295.521 GPRESSURE: 3164600 -259.698 -19.564 -69.9385 60.5296 -378.153 -101.965 -84.8541 -130.083 -318.984 PRESSAVG: 3164600 -38.2202 65.2396 -30.3608 65.2395 50.0984 33.7673 -30.3609 33.7673 6.8595 GPRESSAVG: 3164600 -37.8536 62.9328 -30.1316 66.6372 51.0294 32.7407 -30.4051 36.2821 5.72625 TIMING: 3164600 CPU: 9427.49, 0.002995/step Wall: 9427.49, 0.002995/step, 1.52695 hours remaining, 208.144531 MB of memory in use. ENERGY: 3164600 815.0794 2105.6334 1918.7862 119.0487 -205727.2290 17514.3972 0.0000 0.0000 34089.9038 -149164.3802 297.7156 -183254.2840 -149064.0682 300.0000 -353.2729 -318.9452 558575.1284 6.2459 6.3007 PRESSURE: 3164800 -199.298 126.386 106.776 126.385 -153.179 163.082 106.774 163.083 131.507 GPRESSURE: 3164800 -169.671 170.927 48.3107 153.07 -113.079 112.159 91.5221 171.265 159.878 PRESSAVG: 3164800 19.2701 -38.3546 -24.6908 -38.3545 -17.3081 2.31869 -24.6908 2.31869 18.56 GPRESSAVG: 3164800 19.6977 -36.756 -22.2715 -38.9085 -18.8267 4.0012 -23.5996 -0.60664 19.9475 TIMING: 3164800 CPU: 9428.08, 0.00295872/step Wall: 9428.08, 0.00295872/step, 1.50829 hours remaining, 208.144531 MB of memory in use. ENERGY: 3164800 751.6349 2104.6467 1923.3984 118.5684 -205980.2856 17643.6267 0.0000 0.0000 34230.4493 -149207.9613 298.9430 -183438.4106 -149110.8397 300.1475 -73.6569 -40.9572 556559.0633 6.8407 6.9395 PRESSURE: 3165000 23.8081 -24.9618 -58.3188 -24.9615 -57.6781 150.073 -58.3182 150.074 -324.785 GPRESSURE: 3165000 19.4763 18.55 -25.856 20.1273 -8.98115 133.986 -98.7106 102.573 -260.704 PRESSAVG: 3165000 -0.221713 27.6109 26.5951 27.6108 -39.7527 33.6315 26.5951 33.6315 11.8055 GPRESSAVG: 3165000 0.52982 26.9799 25.0146 27.3162 -39.0062 31.937 26.6357 35.976 10.2732 TIMING: 3165000 CPU: 9428.67, 0.00295097/step Wall: 9428.67, 0.00295097/step, 1.50417 hours remaining, 208.144531 MB of memory in use. ENERGY: 3165000 734.4103 2080.4106 1939.2938 118.5218 -206144.0754 17520.5596 0.0000 0.0000 34255.5291 -149495.3502 299.1621 -183750.8794 -149400.7782 298.5619 -119.5516 -83.4029 555453.0973 -9.3897 -9.4011 PRESSURE: 3165200 349.472 103.577 33.8123 103.578 167.518 56.2147 33.8121 56.2138 -154.755 GPRESSURE: 3165200 414.088 62.5595 -3.01366 133.252 183.131 97.5765 42.2222 53.6658 -140.448 PRESSAVG: 3165200 -43.7467 26.7937 21.3072 26.7937 -11.5855 7.77636 21.3072 7.77642 34.8861 GPRESSAVG: 3165200 -44.2805 25.4564 19.9304 26.9838 -12.0252 7.07033 22.9068 8.20206 36.5094 TIMING: 3165200 CPU: 9429.26, 0.00296105/step Wall: 9429.26, 0.00296105/step, 1.50915 hours remaining, 208.144531 MB of memory in use. ENERGY: 3165200 742.2764 2085.4225 1922.1865 106.8935 -206759.6530 18155.4986 0.0000 0.0000 34250.2805 -149497.0948 299.1162 -183747.3753 -149389.4342 298.4233 120.7453 152.2570 557463.5616 -6.8154 -6.5988 PRESSURE: 3165400 67.643 269.409 168.863 269.409 178.935 159.845 168.864 159.846 -182.323 GPRESSURE: 3165400 87.056 188.23 112.254 283.725 270.539 161.73 153.369 115.383 -187.721 PRESSAVG: 3165400 -10.5926 11.8724 8.29341 11.8724 111.271 0.289645 8.29341 0.289655 -88.8001 GPRESSAVG: 3165400 -10.6467 12.6715 7.5623 11.3685 111.847 -0.937655 7.06923 -0.0941008 -88.7599 TIMING: 3165400 CPU: 9429.85, 0.0029517/step Wall: 9429.85, 0.0029517/step, 1.50422 hours remaining, 208.144531 MB of memory in use. ENERGY: 3165400 731.3965 2141.6323 1930.6590 116.3880 -206571.0933 17980.5832 0.0000 0.0000 34118.1708 -149552.2635 297.9625 -183670.4343 -149461.1386 298.4790 21.4182 56.6247 557090.7783 3.9594 4.1467 PRESSURE: 3165600 184.272 -71.7659 46.1033 -71.7658 -161.396 71.3297 46.1031 71.3299 64.7776 GPRESSURE: 3165600 213.535 45.2252 92.0758 -88.2736 -78.0148 50.4946 34.6318 67.6252 55.5086 PRESSAVG: 3165600 -48.0244 21.0048 44.6067 21.0049 10.0114 -15.5004 44.6066 -15.5005 54.3655 GPRESSAVG: 3165600 -49.1246 22.3642 45.6898 19.9692 10.1374 -12.4536 45.6618 -17.9991 55.7255 TIMING: 3165600 CPU: 9430.44, 0.00295104/step Wall: 9430.44, 0.00295104/step, 1.50372 hours remaining, 208.144531 MB of memory in use. ENERGY: 3165600 746.5967 2083.0902 1934.9962 118.3988 -206222.6307 17788.4443 0.0000 0.0000 34298.3961 -149252.7084 299.5364 -183551.1045 -149156.8579 298.7681 29.2177 63.6764 556830.3764 5.4508 5.5794 PRESSURE: 3165800 102.038 -42.1928 18.67 -42.1915 -1.21986 76.6474 18.6695 76.6472 158.327 GPRESSURE: 3165800 119.732 -114.555 15.9025 44.5693 27.8855 118.177 53.8 32.005 220.708 PRESSAVG: 3165800 17.2991 9.58208 51.3636 9.58218 -54.3473 28.7736 51.3635 28.7735 58.308 GPRESSAVG: 3165800 17.8006 7.96471 51.9055 10.6547 -53.6483 26.6873 50.5759 31.8685 57.2004 TIMING: 3165800 CPU: 9431.03, 0.0029278/step Wall: 9431.03, 0.0029278/step, 1.49171 hours remaining, 208.144531 MB of memory in use. ENERGY: 3165800 746.4054 2147.1026 1922.1840 97.2357 -206380.8138 17982.9648 0.0000 0.0000 34229.6584 -149255.2629 298.9361 -183484.9213 -149166.1764 299.0664 86.3818 122.7752 556794.8222 7.0866 7.1176 PRESSURE: 3166000 99.6302 -184.775 -0.953167 -184.774 -162.056 -90.0476 -0.953454 -90.0472 10.4695 GPRESSURE: 3166000 155.432 -148.472 41.5802 -247.486 -171.57 -100.898 -84.4103 -71.1001 53.3756 PRESSAVG: 3166000 6.28088 -31.1056 35.6698 -31.1056 -44.1353 10.2132 35.6697 10.2132 25.9513 GPRESSAVG: 3166000 7.97441 -30.4732 32.7614 -32.5204 -45.4974 11.5738 35.9875 9.03323 25.4944 TIMING: 3166000 CPU: 9431.62, 0.00294911/step Wall: 9431.62, 0.00294911/step, 1.50241 hours remaining, 208.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3166000 717.8402 2083.3141 1908.5309 116.5451 -206216.4556 17888.2517 0.0000 0.0000 34314.9381 -149187.0355 299.6809 -183501.9736 -149084.6111 299.7040 -17.3189 12.4124 557795.1318 -3.9677 -4.0095 PRESSURE: 3166200 -64.6602 45.3318 111.375 45.3316 77.1465 -33.8588 111.375 -33.8599 -16.4177 GPRESSURE: 3166200 -4.05686 -55.1456 166.502 51.1221 113.226 -69.7801 91.3896 -84.3944 0.370543 PRESSAVG: 3166200 20.2005 -47.5739 31.4348 -47.574 -64.5912 -16.9563 31.4348 -16.9561 35.7033 GPRESSAVG: 3166200 19.3806 -46.8988 33.6762 -47.553 -63.9406 -16.3031 29.6895 -16.9848 36.6342 TIMING: 3166200 CPU: 9432.21, 0.00294196/step Wall: 9432.21, 0.00294196/step, 1.4986 hours remaining, 208.144531 MB of memory in use. ENERGY: 3166200 734.3033 2063.0303 1935.2174 107.8806 -206113.9819 17835.6093 0.0000 0.0000 34357.2061 -149080.7350 300.0500 -183437.9410 -148990.5326 299.6349 -1.3105 36.5134 557569.5575 -2.8958 -2.6419 PRESSURE: 3166400 -173.398 46.9586 -43.379 46.9587 -152.784 17.7271 -43.3769 17.7254 11.7 GPRESSURE: 3166400 -179.262 13.7023 39.6022 59.1128 -102.375 58.3524 -112.078 48.0567 78.4592 PRESSAVG: 3166400 5.93285 -35.9445 1.08249 -35.9445 -53.681 -7.50285 1.08235 -7.50278 54.3851 GPRESSAVG: 3166400 5.57905 -35.587 1.44445 -33.6798 -52.4531 -7.22216 1.38735 -8.43409 54.1899 TIMING: 3166400 CPU: 9432.8, 0.00295201/step Wall: 9432.8, 0.00295201/step, 1.50356 hours remaining, 208.144531 MB of memory in use. ENERGY: 3166400 769.4667 2073.1378 1906.4259 111.2292 -205897.5434 17654.2675 0.0000 0.0000 34246.3127 -149136.7034 299.0816 -183383.0161 -149040.9412 299.5979 -104.8274 -67.7259 557626.6641 2.2123 2.4386 PRESSURE: 3166600 198.843 -120.735 184.303 -120.736 -269.154 -110.206 184.303 -110.206 256.958 GPRESSURE: 3166600 173.353 -78.9236 176.32 -80.3034 -193.257 -121.689 203.628 -118.798 305.492 PRESSAVG: 3166600 20.7548 -61.3186 -23.8142 -61.3185 -51.8489 -24.0154 -23.8142 -24.0153 78.3384 GPRESSAVG: 3166600 20.9151 -62.8673 -22.4897 -61.1221 -52.27 -23.7209 -23.2379 -24.3924 78.4232 TIMING: 3166600 CPU: 9433.39, 0.00293808/step Wall: 9433.39, 0.00293808/step, 1.4963 hours remaining, 208.144531 MB of memory in use. ENERGY: 3166600 753.1806 2061.5359 1902.3482 120.1631 -206123.0265 17815.6206 0.0000 0.0000 34449.4711 -149020.7071 300.8558 -183470.1781 -148922.6956 300.1104 62.2157 95.1962 556774.7477 15.7481 15.6894 PRESSURE: 3166800 128.604 53.4133 -6.97823 53.4133 182.314 61.4347 -6.97825 61.4351 -69.8379 GPRESSURE: 3166800 114.398 36.2618 -21.0124 10.2414 194.855 125.492 -36.7492 66.8359 29.8014 PRESSAVG: 3166800 40.4623 -15.3687 -34.8038 -15.3687 -44.5134 2.79017 -34.8038 2.79029 26.8993 GPRESSAVG: 3166800 40.8026 -14.9219 -35.5612 -17.2748 -43.8687 1.85742 -36.9542 5.32113 26.6068 TIMING: 3166800 CPU: 9433.97, 0.00292398/step Wall: 9433.97, 0.00292398/step, 1.48896 hours remaining, 208.144531 MB of memory in use. ENERGY: 3166800 750.8477 2063.4015 1953.0373 106.7785 -206108.7710 17826.9062 0.0000 0.0000 34295.4777 -149112.3221 299.5109 -183407.7998 -149015.3400 299.3742 80.3601 113.0183 557406.3548 7.6161 7.8469 PRESSURE: 3167000 -19.9341 -1.86121 -24.7275 -1.86121 -26.7554 23.9589 -24.7274 23.9596 -97.3574 GPRESSURE: 3167000 -37.1723 24.8942 68.5988 -59.1941 0.272032 2.00004 -13.1896 49.0214 0.459288 PRESSAVG: 3167000 99.4323 -19.8314 33.1908 -19.8314 -19.6393 47.46 33.1909 47.4601 -109.093 GPRESSAVG: 3167000 100.617 -19.3203 32.7877 -18.9792 -21.8434 44.3905 37.2146 46.7285 -108.309 TIMING: 3167000 CPU: 9434.55, 0.00290205/step Wall: 9434.55, 0.00290205/step, 1.47763 hours remaining, 208.144531 MB of memory in use. ENERGY: 3167000 741.4490 2085.1603 1906.2871 108.5756 -206180.7525 17801.3944 0.0000 0.0000 34408.8257 -149129.0605 300.5008 -183537.8861 -149034.4047 299.2590 -48.0156 -12.1470 558603.5456 -9.7668 -9.8452 PRESSURE: 3167200 -145.409 11.2196 -147.323 11.2198 -406.941 -52.9454 -147.323 -52.9448 -181.88 GPRESSURE: 3167200 -97.0217 -12.939 -17.6883 -61.0275 -377.094 -67.1545 -167.216 33.3998 -155.776 PRESSAVG: 3167200 13.3156 -33.6216 -21.5031 -33.6217 -27.1197 50.5103 -21.503 50.5101 3.82469 GPRESSAVG: 3167200 11.5736 -35.3645 -21.0423 -32.7485 -24.715 53.5673 -24.299 50.193 3.18739 TIMING: 3167200 CPU: 9435.13, 0.00291285/step Wall: 9435.13, 0.00291285/step, 1.48296 hours remaining, 208.144531 MB of memory in use. ENERGY: 3167200 743.3964 2068.6643 1906.5380 114.4603 -205740.7682 17569.6276 0.0000 0.0000 34102.9192 -149235.1624 297.8293 -183338.0816 -149141.0256 299.0317 -244.7433 -209.9639 557995.1426 -3.3265 -3.3180 PRESSURE: 3167400 174.852 -49.7565 -42.2098 -49.7553 42.2959 -129.631 -42.2101 -129.63 156.134 GPRESSURE: 3167400 203 -130.557 -58.5784 -74.9645 131.419 -103.152 -31.5845 -190.299 145.257 PRESSAVG: 3167400 14.2521 -75.968 -14.6022 -75.9679 -34.7605 17.1348 -14.6021 17.1348 30.2425 GPRESSAVG: 3167400 14.9889 -75.4331 -16.6368 -76.7318 -35.36 17.0254 -11.7366 15.0527 30.0421 TIMING: 3167400 CPU: 9435.72, 0.00293195/step Wall: 9435.72, 0.00293195/step, 1.49253 hours remaining, 208.144531 MB of memory in use. ENERGY: 3167400 705.3552 2047.3426 1917.1867 122.3093 -206055.2529 17946.1236 0.0000 0.0000 34248.8764 -149068.0589 299.1040 -183316.9354 -148970.2268 299.2290 124.4271 159.8920 557604.9608 3.2447 3.2237 PRESSURE: 3167600 -230.96 54.4064 1.37764 54.406 -298.871 -100.804 1.37684 -100.806 -144.818 GPRESSURE: 3167600 -167.356 112.676 23.5306 158.39 -268.425 -105.169 -103.295 -153.899 -137.305 PRESSAVG: 3167600 5.53228 13.4979 24.0215 13.4979 57.5519 7.90766 24.0215 7.90757 -55.3664 GPRESSAVG: 3167600 4.61052 14.7913 23.8553 12.8715 57.2666 8.89955 21.9153 9.94991 -54.7544 TIMING: 3167600 CPU: 9436.31, 0.00293112/step Wall: 9436.31, 0.00293112/step, 1.49194 hours remaining, 208.144531 MB of memory in use. ENERGY: 3167600 749.6445 2064.7674 1925.3497 128.4995 -205877.1486 17518.1352 0.0000 0.0000 34259.7083 -149231.0440 299.1986 -183490.7523 -149137.4222 299.3238 -224.8832 -191.0286 556773.1564 2.5726 2.3743 PRESSURE: 3167800 270.154 23.5468 33.482 23.5478 -50.2786 -236.642 33.4814 -236.643 -64.4328 GPRESSURE: 3167800 282.27 -15.4917 96.9291 -51.002 -42.5952 -240.346 25.6987 -246.294 8.16651 PRESSAVG: 3167800 41.769 -14.7733 -24.3285 -14.7734 -22.8045 -22.6051 -24.3285 -22.6052 6.64458 GPRESSAVG: 3167800 42.3899 -16.0948 -22.1867 -16.2687 -24.7921 -23.6454 -23.5804 -24.8009 8.05531 TIMING: 3167800 CPU: 9436.89, 0.00293023/step Wall: 9436.89, 0.00293023/step, 1.49132 hours remaining, 208.144531 MB of memory in use. ENERGY: 3167800 774.9104 2054.4587 1938.4182 113.0231 -206339.7321 17994.2969 0.0000 0.0000 34133.8502 -149330.7746 298.0994 -183464.6248 -149237.3835 299.4334 51.8141 82.6137 557089.3935 8.5364 8.5510 PRESSURE: 3168000 -36.1257 -35.8216 -88.2776 -35.8216 26.8705 -8.62721 -88.279 -8.62927 -295.535 GPRESSURE: 3168000 -25.8799 -81.6418 -131.099 74.4702 80.0664 -3.75194 -146.15 -24.4898 -255.573 PRESSAVG: 3168000 8.37095 3.57515 -59.8202 3.57512 27.5944 -65.7507 -59.8202 -65.7509 -20.3478 GPRESSAVG: 3168000 8.76534 2.67599 -60.8748 6.57923 28.8356 -67.588 -59.6749 -64.5926 -21.8743 TIMING: 3168000 CPU: 9437.48, 0.0029572/step Wall: 9437.48, 0.0029572/step, 1.50489 hours remaining, 208.144531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3168000 766.8323 2096.3806 1921.3692 105.3014 -206104.4577 17735.9434 0.0000 0.0000 34199.0742 -149279.5566 298.6690 -183478.6308 -149184.0998 299.0267 -101.5968 -67.1290 556710.5362 5.2058 5.2422 PRESSURE: 3168200 -120.49 27.0477 -152.688 27.0486 -39.7959 -72.3972 -152.689 -72.395 -230.101 GPRESSURE: 3168200 -85.1004 10.9634 -123.048 132.302 -8.90573 -19.8877 -152.591 -12.8778 -198.239 PRESSAVG: 3168200 -42.3298 -5.56277 -3.80994 -5.56282 -10.337 41.953 -3.80993 41.953 25.2417 GPRESSAVG: 3168200 -42.2421 -3.37894 -3.5771 -6.82661 -10.1031 42.1785 -3.84695 44.2774 25.2909 TIMING: 3168200 CPU: 9438.08, 0.00296019/step Wall: 9438.08, 0.00296019/step, 1.50624 hours remaining, 208.144531 MB of memory in use. ENERGY: 3168200 752.9407 2079.3475 1931.7301 123.6465 -206036.2566 17682.5254 0.0000 0.0000 34355.6047 -149110.4618 300.0360 -183466.0664 -149016.7474 299.0307 -130.1290 -97.4151 558589.5587 -9.1417 -9.0181 LDB: ============= START OF LOAD BALANCING ============== 9441.63 LDB: ============== END OF LOAD BALANCING =============== 9441.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9441.63 LDB: ============= START OF LOAD BALANCING ============== 9441.92 LDB: Largest compute 4772 load 0.025255 is 21.4% of average load 0.118248 LDB: Average compute 0.001733 is 1.5% of average load 0.118248 LDB: TIME 9441.93 LOAD: AVG 0.118248 MAX 0.19874 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.105 MB LDB: TIME 9441.93 LOAD: AVG 0.118248 MAX 0.19874 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.215 MB LDB: TIME 9441.93 LOAD: AVG 0.118248 MAX 0.19874 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.215 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9441.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9441.93 PRESSURE: 3168400 -4.4048 63.7284 -28.1579 63.727 -222.541 -6.20621 -28.1564 -6.20622 -57.4474 GPRESSURE: 3168400 11.0834 32.0347 17.7193 34.8349 -174.786 -0.222073 -88.7596 -48.3277 -31.3411 PRESSAVG: 3168400 35.0936 14.327 2.20822 14.3268 -29.2981 -6.50095 2.20808 -6.5009 33.4142 GPRESSAVG: 3168400 34.2062 15.0865 1.55667 12.595 -28.9244 -5.58506 3.6477 -6.98533 33.9108 TIMING: 3168400 CPU: 9438.68, 0.00303861/step Wall: 9438.68, 0.00303861/step, 1.54598 hours remaining, 207.039062 MB of memory in use. ENERGY: 3168400 761.1028 2099.4746 1928.9957 113.9950 -206282.4944 17702.1986 0.0000 0.0000 34459.4056 -149217.3221 300.9426 -183676.7277 -149122.1193 300.3642 -94.7979 -65.0145 557170.3823 13.0699 13.0642 PRESSURE: 3168600 196.577 117.075 -6.51654 117.076 63.9705 -98.169 -6.5178 -98.1682 26.6051 GPRESSURE: 3168600 259.283 112.652 18.4123 154.718 110.004 -82.2659 75.1886 -62.5149 25.4242 PRESSAVG: 3168600 22.8261 18.4697 -22.0087 18.4697 -55.8597 -27.8353 -22.0085 -27.8353 67.9914 GPRESSAVG: 3168600 22.9968 16.9033 -21.529 20.9544 -56.3078 -27.9545 -23.4468 -29.9758 68.2197 TIMING: 3168600 CPU: 9439.27, 0.00292378/step Wall: 9439.27, 0.00292378/step, 1.48739 hours remaining, 207.039062 MB of memory in use. ENERGY: 3168600 720.3801 2159.0407 1934.8402 97.6394 -206003.5118 17664.4749 0.0000 0.0000 34188.0354 -149239.1011 298.5726 -183427.1365 -149142.9379 298.8633 95.7174 131.5704 556235.0634 11.6526 11.6362 PRESSURE: 3168800 -134.686 94.5316 52.9031 94.5319 -288.621 42.1898 52.9027 42.1898 223.323 GPRESSURE: 3168800 -55.7004 92.6634 94.5467 84.8285 -273.111 83.8051 1.13902 -49.2773 238.374 PRESSAVG: 3168800 18.3835 9.37035 44.7947 9.37042 -39.9716 24.6772 44.7948 24.6771 36.8133 GPRESSAVG: 3168800 18.868 9.41807 44.159 9.64837 -40.1599 24.2685 44.8303 26.26 36.1434 TIMING: 3168800 CPU: 9439.86, 0.00293601/step Wall: 9439.86, 0.00293601/step, 1.49345 hours remaining, 207.039062 MB of memory in use. ENERGY: 3168800 741.2553 2043.4497 1934.9650 119.4586 -206039.5500 17773.1585 0.0000 0.0000 34122.3780 -149304.8850 297.9992 -183427.2629 -149212.7924 299.4293 -66.6614 -30.1459 557477.1924 5.0751 4.9505 PRESSURE: 3169000 53.0725 -77.438 -37.3916 -77.4378 74.1326 -0.665113 -37.3932 -0.664882 -219.166 GPRESSURE: 3169000 43.5335 -114.169 4.40716 -38.6947 97.1902 -37.2016 -8.59808 1.25366 -128.821 PRESSAVG: 3169000 38.1193 10.0293 11.6715 10.0293 -29.6024 30.8177 11.6715 30.8178 -8.83363 GPRESSAVG: 3169000 37.5149 12.2432 11.137 7.34673 -29.8784 31.7601 12.6959 30.2629 -8.17906 TIMING: 3169000 CPU: 9440.45, 0.00296469/step Wall: 9440.45, 0.00296469/step, 1.50787 hours remaining, 207.039062 MB of memory in use. ENERGY: 3169000 771.5787 2079.5485 1933.4510 104.8092 -206016.7399 17753.1589 0.0000 0.0000 34111.2601 -149262.9334 297.9021 -183374.1935 -149173.2436 299.0070 -30.6536 3.9676 556876.6426 -0.1056 -0.1809 PRESSURE: 3169200 97.2016 129.714 117.361 129.714 -52.5301 17.4131 117.362 17.411 -82.3136 GPRESSURE: 3169200 132.832 118.672 71.9066 84.7247 -49.3036 92.0818 196.667 42.2114 -19.0083 PRESSAVG: 3169200 -20.0359 10.2328 54.7512 10.2328 -2.22266 35.2978 54.7511 35.2978 16.4407 GPRESSAVG: 3169200 -19.9149 8.97431 56.2895 8.87376 -2.163 36.3515 52.6663 35.2815 16.4659 TIMING: 3169200 CPU: 9441.04, 0.00294585/step Wall: 9441.04, 0.00294585/step, 1.49813 hours remaining, 207.039062 MB of memory in use. ENERGY: 3169200 789.1869 2069.4456 1941.9770 112.3634 -206299.3163 17797.7366 0.0000 0.0000 34426.5508 -149162.0560 300.6556 -183588.6068 -149067.3323 299.1058 -12.5473 21.5066 555752.0595 -1.9393 -1.8707 PRESSURE: 3169400 110.271 53.4005 -19.0763 53.3998 64.7373 41.4609 -19.0774 41.4603 -6.5251 GPRESSURE: 3169400 184.496 57.7596 78.2079 107.465 112.26 31.7139 -10.3027 -21.8122 -17.321 PRESSAVG: 3169400 10.19 46.0411 48.3774 46.0412 -43.8413 49.4243 48.3775 49.4243 -21.0397 GPRESSAVG: 3169400 10.9452 45.6557 46.6645 47.2977 -42.9787 49.6065 48.4304 48.12 -22.043 TIMING: 3169400 CPU: 9441.63, 0.00294792/step Wall: 9441.63, 0.00294792/step, 1.49902 hours remaining, 207.039062 MB of memory in use. ENERGY: 3169400 762.9722 2092.8024 1947.5738 113.9516 -205916.1086 17734.3650 0.0000 0.0000 34152.1018 -149112.3419 298.2588 -183264.4436 -149016.6674 299.5738 56.1610 93.1448 556533.2209 -18.2303 -18.0255 PRESSURE: 3169600 69.8706 57.2519 -16.2206 57.2509 -278.768 -24.3486 -16.2205 -24.3473 81.0242 GPRESSURE: 3169600 104.598 53.4576 99.824 60.2791 -243.162 -80.7571 -42.3521 53.9058 114.706 PRESSAVG: 3169600 -22.3789 23.7062 -17.2835 23.7061 14.5741 30.6079 -17.2835 30.608 27.0713 GPRESSAVG: 3169600 -24.0785 22.6113 -14.7166 24.7441 15.0869 29.6483 -17.487 30.8569 28.4066 TIMING: 3169600 CPU: 9442.23, 0.00298946/step Wall: 9442.23, 0.00298946/step, 1.51998 hours remaining, 207.039062 MB of memory in use. ENERGY: 3169600 749.3962 2142.7900 1936.4691 110.6337 -205896.8605 17697.4308 0.0000 0.0000 34399.9296 -148860.2112 300.4231 -183260.1408 -148761.2317 299.7080 -42.6243 -7.9527 556853.6536 6.4222 6.4717 PRESSURE: 3169800 -39.0717 211.594 25.72 211.595 -167.986 129.355 25.7201 129.354 13.4762 GPRESSURE: 3169800 -18.5996 195.913 58.7329 277.654 -128.733 140.77 -49.3924 130.635 45.5319 PRESSAVG: 3169800 -6.17072 -3.87312 21.4862 -3.87318 3.77915 53.5547 21.4862 53.5546 -37.139 GPRESSAVG: 3169800 -6.64748 -0.927425 21.5485 -4.19391 3.5897 53.5551 21.6783 53.889 -37.1638 TIMING: 3169800 CPU: 9442.82, 0.00297412/step Wall: 9442.82, 0.00297412/step, 1.51201 hours remaining, 207.039062 MB of memory in use. ENERGY: 3169800 730.7928 2094.1461 1922.7222 99.7913 -205919.2836 17696.0660 0.0000 0.0000 34470.8166 -148904.9485 301.0422 -183375.7651 -148807.0465 300.2936 -64.5273 -33.9335 556590.1148 -13.1768 -13.4072 PRESSURE: 3170000 89.842 -14.4151 -19.7764 -14.4156 -62.1941 -16.7129 -19.7759 -16.712 -303.015 GPRESSURE: 3170000 112.386 9.16876 29.1135 -152.451 -62.3707 -93.5307 -17.7807 41.8989 -226.594 PRESSAVG: 3170000 30.8701 14.1833 23.206 14.1833 -20.643 48.7768 23.206 48.7767 4.71554 GPRESSAVG: 3170000 31.1116 12.6282 22.1012 15.5745 -20.7833 48.3498 24.4211 48.3147 4.88913 TIMING: 3170000 CPU: 9443.42, 0.0029927/step Wall: 9443.42, 0.0029927/step, 1.52129 hours remaining, 207.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3170000 730.4736 2094.9882 1934.4636 118.4663 -205823.1927 17648.7835 0.0000 0.0000 34265.3320 -149030.6854 299.2477 -183296.0174 -148936.4905 300.2517 -91.7891 -58.8597 557509.6137 4.9809 5.0725 PRESSURE: 3170200 115.386 -90.5102 104.278 -90.5107 126.309 148.837 104.278 148.837 29.915 GPRESSURE: 3170200 152.563 -125.9 132.682 -81.9571 139.474 134.125 -16.7258 143.016 85.7377 PRESSAVG: 3170200 14.0302 -41.7677 -25.9468 -41.7678 58.5842 -4.0801 -25.9467 -4.08001 -87.5073 GPRESSAVG: 3170200 14.3732 -45.0125 -24.1434 -43.5584 59.4663 -2.70215 -27.0853 -4.78576 -88.4816 TIMING: 3170200 CPU: 9444.01, 0.0029523/step Wall: 9444.01, 0.0029523/step, 1.50059 hours remaining, 207.039062 MB of memory in use. ENERGY: 3170200 762.7214 2101.0243 1923.4771 111.5175 -206213.0406 17878.4627 0.0000 0.0000 34539.6223 -148896.2152 301.6431 -183435.8375 -148799.9081 300.5527 90.5366 125.9251 555592.3438 -4.9643 -4.8807 PRESSURE: 3170400 -84.6969 -102.375 -27.3527 -102.374 -262.964 118.055 -27.3535 118.055 -300.368 GPRESSURE: 3170400 -120.655 -165.547 -81.2241 -162.551 -221.24 139.661 26.2204 131.782 -210.129 PRESSAVG: 3170400 -13.994 22.4369 3.1547 22.4369 -47.1171 50.3818 3.15468 50.3819 57.7106 GPRESSAVG: 3170400 -13.6733 24.3336 1.46624 22.7328 -47.6076 47.6582 3.23272 52.8046 58.2626 TIMING: 3170400 CPU: 9444.6, 0.00296877/step Wall: 9444.6, 0.00296877/step, 1.50879 hours remaining, 207.039062 MB of memory in use. ENERGY: 3170400 779.9832 2065.3862 1947.0510 115.8927 -205687.3817 17504.7073 0.0000 0.0000 34285.5162 -148988.8452 299.4239 -183274.3614 -148892.7608 299.3362 -216.0099 -184.0078 558305.3486 -1.1335 -1.0061 PRESSURE: 3170600 -322.398 -228.56 28.1625 -228.559 -2.80472 109.944 28.162 109.943 -94.2085 GPRESSURE: 3170600 -291.25 -247.571 16.6974 -228.093 13.9925 127.853 66.5528 13.2612 -39.1872 PRESSAVG: 3170600 -68.4073 19.1605 -65.1192 19.1605 29.483 29.7198 -65.1192 29.7198 35.0447 GPRESSAVG: 3170600 -67.3781 20.1085 -68.3927 18.3623 28.0904 31.2775 -65.2918 28.3424 35.5743 TIMING: 3170600 CPU: 9445.19, 0.00295005/step Wall: 9445.19, 0.00295005/step, 1.49912 hours remaining, 207.039062 MB of memory in use. ENERGY: 3170600 751.9423 2110.1706 1928.9692 116.8029 -205632.5378 17456.3692 0.0000 0.0000 34208.8150 -149059.4686 298.7541 -183268.2836 -148959.2634 299.9609 -139.8039 -105.4816 558324.4058 -1.2932 -1.2378 PRESSURE: 3170800 -20.7888 92.487 -30.8031 92.4874 31.5406 -51.9905 -30.8044 -51.9902 -25.5389 GPRESSURE: 3170800 -0.108093 88.8372 -45.7924 110.934 80.2428 -23.6846 32.4294 -56.5586 5.52588 PRESSAVG: 3170800 -84.543 -17.1807 -13.2997 -17.1808 49.6953 14.5389 -13.2998 14.5388 39.653 GPRESSAVG: 3170800 -86.0575 -16.0285 -10.4455 -16.3283 50.8713 14.1359 -13.69 13.9556 40.38 TIMING: 3170800 CPU: 9445.78, 0.00294715/step Wall: 9445.78, 0.00294715/step, 1.49748 hours remaining, 207.039062 MB of memory in use. ENERGY: 3170800 768.0136 2171.2425 1904.1517 101.1901 -206088.3338 17957.0771 0.0000 0.0000 34145.1065 -149041.5522 298.1977 -183186.6587 -148939.7959 299.7417 -4.9290 28.5535 557881.3261 1.6018 1.7312 PRESSURE: 3171000 -15.4206 -55.3818 -2.40816 -55.3821 -72.4296 -114.767 -2.40908 -114.768 -66.5393 GPRESSURE: 3171000 -3.00518 -185.626 66.1152 -45.9319 -31.82 -160.801 -134.623 -101.59 -33.2446 PRESSAVG: 3171000 17.9894 -45.729 29.0604 -45.7291 20.4367 9.74917 29.0604 9.74916 -40.6494 GPRESSAVG: 3171000 19.4297 -46.8973 28.6521 -45.71 19.8205 9.71865 28.4209 9.53618 -41.2759 TIMING: 3171000 CPU: 9446.37, 0.0029247/step Wall: 9446.37, 0.0029247/step, 1.48591 hours remaining, 207.039062 MB of memory in use. ENERGY: 3171000 718.9737 2068.9915 1924.4168 105.7665 -206102.7089 17710.2681 0.0000 0.0000 34475.9550 -149098.3374 301.0871 -183574.2924 -148995.3077 299.2923 -51.4631 -22.6899 556718.8767 -0.7411 -0.6752 PRESSURE: 3171200 -239.462 -49.1852 67.2929 -49.1863 -45.9045 191.743 67.2923 191.743 -238.727 GPRESSURE: 3171200 -236.361 -14.3635 174.012 -131.574 51.7322 91.6447 26.8809 218.054 -231.476 PRESSAVG: 3171200 16.5799 -23.7459 30.2076 -23.7459 55.052 14.1124 30.2075 14.1124 -53.9811 GPRESSAVG: 3171200 16.9264 -23.8124 27.3254 -24.7372 55.0132 13.6437 32.5708 15.8198 -54.401 TIMING: 3171200 CPU: 9446.96, 0.00294681/step Wall: 9446.96, 0.00294681/step, 1.49698 hours remaining, 207.039062 MB of memory in use. ENERGY: 3171200 741.3854 2112.1436 1933.6208 124.5177 -205769.5832 17620.3329 0.0000 0.0000 34210.3158 -149027.2671 298.7672 -183237.5828 -148935.8318 299.6030 -174.6980 -138.7018 558346.6013 5.8836 5.8462 PRESSURE: 3171400 -233.605 -252.147 -80.7018 -252.147 -293.634 267.943 -80.7028 267.945 -79.6512 GPRESSURE: 3171400 -189.299 -186.363 -111.34 -262.653 -315.204 264.086 -87.7059 248.347 -2.44531 PRESSAVG: 3171400 -19.4698 -16.4099 32.5533 -16.41 14.9027 39.4041 32.5533 39.4042 20.9992 GPRESSAVG: 3171400 -19.9417 -17.7658 35.0658 -15.4939 15.9231 38.7698 32.4382 38.8372 20.2195 TIMING: 3171400 CPU: 9447.54, 0.00294136/step Wall: 9447.54, 0.00294136/step, 1.49405 hours remaining, 207.039062 MB of memory in use. ENERGY: 3171400 752.7538 2090.6610 1920.7917 118.1509 -205857.5294 17526.1017 0.0000 0.0000 34271.5090 -149177.5614 299.3016 -183449.0704 -149075.6758 299.7215 -202.2967 -168.9828 557305.4267 5.4774 5.4003 PRESSURE: 3171600 -133.517 103.961 -89.5486 103.962 56.4457 -61.2887 -89.5497 -61.2892 -90.4671 GPRESSURE: 3171600 -58.9318 108.74 -106.292 103.702 73.0303 -72.2861 -25.1963 -98.1019 -85.5021 PRESSAVG: 3171600 32.5977 19.4379 -10.3761 19.4379 -75.7346 28.7674 -10.3762 28.7673 34.8476 GPRESSAVG: 3171600 34.0962 20.0014 -10.8299 18.6869 -76.9244 28.9422 -11.648 27.9052 34.983 TIMING: 3171600 CPU: 9448.14, 0.00295254/step Wall: 9448.14, 0.00295254/step, 1.49956 hours remaining, 207.039062 MB of memory in use. ENERGY: 3171600 732.8601 2032.2937 1927.7594 114.8035 -206570.1055 17812.2129 0.0000 0.0000 34436.7405 -149513.4353 300.7446 -183950.1758 -149416.6712 299.5398 -55.8462 -23.8012 557317.6406 -2.7631 -2.6151 PRESSURE: 3171800 -120.393 63.0367 -114.353 63.0383 -193.674 58.4412 -114.353 58.4405 -122.369 GPRESSURE: 3171800 -81.4845 26.1164 -152.563 86.2534 -129.191 58.9002 -176.951 18.6372 -135.02 PRESSAVG: 3171800 84.0205 -36.7033 -62.6864 -36.7032 -116.611 26.0626 -62.6865 26.0625 7.07466 GPRESSAVG: 3171800 82.204 -37.8037 -64.2748 -35.7172 -116.757 25.9802 -62.6115 24.8513 8.69577 TIMING: 3171800 CPU: 9448.73, 0.00295158/step Wall: 9448.73, 0.00295158/step, 1.49891 hours remaining, 207.039062 MB of memory in use. ENERGY: 3171800 769.7789 2081.8990 1919.6812 104.7262 -206417.1674 17796.5897 0.0000 0.0000 34032.0327 -149712.4597 297.2102 -183744.4924 -149618.7875 298.0159 -145.4786 -115.2318 556621.7019 -8.5051 -8.6189 PRESSURE: 3172000 159.71 -95.7553 -54.3115 -95.7556 198.99 12.1289 -54.3098 12.1297 -121.373 GPRESSURE: 3172000 208.722 -72.1086 -38.0794 -111.391 218.451 65.5992 -98.2659 -17.3812 -96.2176 PRESSAVG: 3172000 -10.2811 11.5222 -101.483 11.5222 19.2805 11.2589 -101.483 11.2591 -33.7506 GPRESSAVG: 3172000 -9.94754 13.5459 -100.378 9.46986 19.9889 11.7478 -100.229 12.2478 -34.3083 TIMING: 3172000 CPU: 9449.32, 0.00296213/step Wall: 9449.32, 0.00296213/step, 1.5041 hours remaining, 207.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3172000 747.4123 2059.9113 1940.9753 104.5212 -206637.0653 17873.2973 0.0000 0.0000 34256.6343 -149654.3138 299.1717 -183910.9480 -149560.9353 298.3205 79.1091 110.3185 554966.9543 -8.2504 -8.0890 PRESSURE: 3172200 -180.09 -74.3488 -16.594 -74.3498 239.922 185.251 -16.5948 185.252 -266.237 GPRESSURE: 3172200 -87.1593 -99.1711 43.7486 -42.2002 182.429 54.5093 8.38484 164.795 -196.243 PRESSAVG: 3172200 31.6113 6.59587 -26.2874 6.59591 24.5325 53.0553 -26.2874 53.0553 -63.0015 GPRESSAVG: 3172200 31.4355 6.05221 -27.6828 7.83598 25.1667 53.0495 -26.8644 52.8564 -63.0378 TIMING: 3172200 CPU: 9449.91, 0.00294804/step Wall: 9449.91, 0.00294804/step, 1.49678 hours remaining, 207.039062 MB of memory in use. ENERGY: 3172200 747.3998 2118.1364 1929.0073 128.2146 -206470.7477 17825.4310 0.0000 0.0000 34107.7159 -149614.8427 297.8712 -183722.5586 -149517.9898 298.1659 -68.8015 -33.6579 557255.5631 -2.2859 -2.1452 LDB: ============= START OF LOAD BALANCING ============== 9453.45 LDB: ============== END OF LOAD BALANCING =============== 9453.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9453.45 LDB: ============= START OF LOAD BALANCING ============== 9453.75 LDB: Largest compute 4796 load 0.023969 is 20.3% of average load 0.118207 LDB: Average compute 0.001733 is 1.5% of average load 0.118207 LDB: TIME 9453.75 LOAD: AVG 0.118207 MAX 0.197348 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.621 MB LDB: TIME 9453.75 LOAD: AVG 0.118207 MAX 0.197348 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.621 MB LDB: TIME 9453.75 LOAD: AVG 0.118207 MAX 0.197348 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.621 MB LDB: ============== END OF LOAD BALANCING =============== 9453.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9453.76 PRESSURE: 3172400 -300.506 -136.166 -47.3763 -136.166 -51.2839 309.206 -47.3765 309.207 -311.642 GPRESSURE: 3172400 -233.848 -83.0379 10.3959 -177.354 -45.6731 227.253 -25.9332 242.24 -290.979 PRESSAVG: 3172400 -7.56697 28.0825 20.232 28.0826 42.4195 35.6795 20.2319 35.6795 -33.2004 GPRESSAVG: 3172400 -6.92512 27.4312 23.2495 28.0114 42.0046 34.3779 17.3752 36.25 -33.7566 TIMING: 3172400 CPU: 9450.51, 0.00300529/step Wall: 9450.51, 0.00300529/step, 1.52569 hours remaining, 206.023438 MB of memory in use. ENERGY: 3172400 762.4298 2085.3214 1937.6264 107.8845 -206622.5223 17715.2134 0.0000 0.0000 34279.2434 -149734.8035 299.3692 -184014.0468 -149637.2236 298.0240 -221.1439 -190.1665 556766.3506 0.5507 0.4410 PRESSURE: 3172600 214.992 179.763 -11.7287 179.764 -370.328 108.224 -11.7275 108.225 -82.4801 GPRESSURE: 3172600 181.39 155.009 -121.554 246.246 -282.989 42.8094 -39.4764 116.793 -31.0963 PRESSAVG: 3172600 -5.58918 20.411 -39.8434 20.411 -9.52215 31.0593 -39.8434 31.0593 19.9283 GPRESSAVG: 3172600 -6.70024 22.8171 -42.462 18.8165 -9.75831 32.8924 -36.4605 29.0264 21.1371 TIMING: 3172600 CPU: 9451.1, 0.00293285/step Wall: 9451.1, 0.00293285/step, 1.48875 hours remaining, 206.023438 MB of memory in use. ENERGY: 3172600 735.4492 2117.4154 1911.1076 117.7098 -206836.1594 17930.3352 0.0000 0.0000 34454.8710 -149569.2713 300.9030 -184024.1423 -149473.5126 299.1921 -79.2722 -44.2319 556372.9681 1.6057 1.5595 PRESSURE: 3172800 247.919 -0.267024 64.5504 -0.266469 111.807 33.5962 64.5526 33.594 72.6118 GPRESSURE: 3172800 268.539 14.9393 100.156 -64.6471 155.221 8.58465 23.0904 102.486 93.3172 PRESSAVG: 3172800 -1.21875 25.1823 6.58194 25.1822 47.0233 32.4932 6.58194 32.4931 -38.5587 GPRESSAVG: 3172800 -0.451225 24.1036 7.75236 25.7367 47.0356 31.499 5.75204 34.7941 -39.5532 TIMING: 3172800 CPU: 9451.68, 0.00293141/step Wall: 9451.68, 0.00293141/step, 1.48786 hours remaining, 206.023438 MB of memory in use. ENERGY: 3172800 752.1596 2097.3683 1916.0243 108.5074 -206679.9057 18178.2512 0.0000 0.0000 34069.2359 -149558.3591 297.5351 -183627.5950 -149466.0161 299.0309 144.1127 172.3589 556885.9356 2.4153 2.3437 PRESSURE: 3173000 -347.655 -38.1445 -128.946 -38.1439 -220.679 -107.096 -128.945 -107.094 48.4461 GPRESSURE: 3173000 -313.821 70.4114 -155.133 -41.0415 -242.867 -85.8226 -145.148 -66.5338 123.787 PRESSAVG: 3173000 -31.8401 4.41627 -48.2758 4.41633 -40.4006 44.8046 -48.2757 44.8045 72.6036 GPRESSAVG: 3173000 -31.9451 2.27839 -49.266 5.40741 -40.4057 44.3136 -48.1298 44.1568 72.2623 TIMING: 3173000 CPU: 9452.27, 0.0029526/step Wall: 9452.27, 0.0029526/step, 1.49844 hours remaining, 206.023438 MB of memory in use. ENERGY: 3173000 785.5382 2139.5925 1900.7242 118.0608 -206472.4849 17688.1818 0.0000 0.0000 34364.8308 -149475.5566 300.1166 -183840.3874 -149376.3765 298.6176 -173.2958 -144.3002 556067.4984 0.1210 -0.0295 PRESSURE: 3173200 135.722 239.785 -65.2942 239.785 128.266 93.3757 -65.2936 93.3765 18.8281 GPRESSURE: 3173200 181.955 348.269 13.4476 196.277 138.687 97.0816 -92.6795 73.418 64.8753 PRESSAVG: 3173200 -1.54361 35.0799 -21.9543 35.0799 13.3467 -48.3087 -21.9543 -48.3087 -6.31779 GPRESSAVG: 3173200 -1.88513 35.5129 -19.8058 33.395 13.0732 -44.9985 -22.9044 -49.665 -5.22102 TIMING: 3173200 CPU: 9452.86, 0.00293461/step Wall: 9452.86, 0.00293461/step, 1.48915 hours remaining, 206.023438 MB of memory in use. ENERGY: 3173200 740.4418 2114.6050 1937.3001 117.1649 -206266.3880 17862.4217 0.0000 0.0000 34145.3977 -149349.0568 298.2003 -183494.4546 -149253.5920 299.2617 94.2720 128.5058 557077.1905 1.8284 1.9890 PRESSURE: 3173400 -106.18 -55.5971 117.841 -55.5981 -107.392 -22.1164 117.84 -22.1163 93.2407 GPRESSURE: 3173400 -94.6662 -89.3666 192.432 -61.0448 -71.7814 -31.7208 90.1838 -4.13335 119.367 PRESSAVG: 3173400 91.911 -24.6521 20.4608 -24.6521 -42.3007 50.7442 20.4608 50.7442 -41.3118 GPRESSAVG: 3173400 92.9436 -23.6206 19.2811 -23.8524 -42.8021 50.0386 21.0102 51.9024 -41.8173 TIMING: 3173400 CPU: 9453.45, 0.00295861/step Wall: 9453.45, 0.00295861/step, 1.50117 hours remaining, 206.062500 MB of memory in use. ENERGY: 3173400 782.5189 2066.2596 1923.0088 111.5353 -206304.8394 17856.3226 0.0000 0.0000 34181.7413 -149383.4529 298.5176 -183565.1942 -149288.3306 298.4442 -40.1104 -15.6934 557996.4174 2.7662 2.7747 PRESSURE: 3173600 188.146 69.7245 -125.226 69.7255 -142.943 58.4356 -125.225 58.4351 216.039 GPRESSURE: 3173600 223.804 98.6366 -138.413 135.233 -60.5513 -4.63132 -90.1012 -13.1126 188.118 PRESSAVG: 3173600 14.1973 5.58789 35.1183 5.58799 -23.2751 50.5524 35.1184 50.5525 16.9607 GPRESSAVG: 3173600 12.7004 6.67225 33.7107 5.87905 -21.835 49.5137 35.337 48.0882 17.0129 TIMING: 3173600 CPU: 9454.04, 0.00293366/step Wall: 9454.04, 0.00293366/step, 1.48834 hours remaining, 206.062500 MB of memory in use. ENERGY: 3173600 779.9709 2048.8046 1944.8762 110.0102 -206372.9519 17746.4316 0.0000 0.0000 34263.8246 -149479.0339 299.2345 -183742.8585 -149386.0831 298.2588 87.0809 117.1236 555956.2174 2.6277 2.6261 PRESSURE: 3173800 83.2357 28.1458 -63.0927 28.1456 144.072 -118.951 -63.0933 -118.95 -508.111 GPRESSURE: 3173800 102.071 130.865 -45.7766 -35.8307 131.138 -91.0599 -49.6808 -172.996 -411.513 PRESSAVG: 3173800 16.0553 -26.3252 29.7615 -26.3252 -0.327381 -24.1325 29.7615 -24.1325 2.66154 GPRESSAVG: 3173800 17.8843 -26.6476 30.766 -26.5696 -0.769048 -23.4618 31.3171 -23.9095 1.09645 TIMING: 3173800 CPU: 9454.62, 0.00292383/step Wall: 9454.62, 0.00292383/step, 1.4832 hours remaining, 206.062500 MB of memory in use. ENERGY: 3173800 750.0932 2100.1400 1946.3856 122.3351 -206185.8107 17722.6183 0.0000 0.0000 34037.7990 -149506.4395 297.2606 -183544.2385 -149414.0594 298.1784 -93.6012 -59.4347 557484.2631 6.1298 6.0706 PRESSURE: 3174000 18.1111 56.5508 41.7873 56.5507 175.657 -26.7386 41.787 -26.7389 273.536 GPRESSURE: 3174000 23.3446 -32.6254 3.1725 76.9933 233.387 50.2325 35.7964 -70.9015 306.095 PRESSAVG: 3174000 25.9309 -26.0124 22.0484 -26.0124 10.2731 12.3424 22.0484 12.3423 -18.6591 GPRESSAVG: 3174000 25.0749 -28.6867 21.1589 -26.1281 9.86693 11.0965 22.1092 14.5697 -17.7 TIMING: 3174000 CPU: 9455.21, 0.00294468/step Wall: 9455.21, 0.00294467/step, 1.4936 hours remaining, 206.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3174000 743.2268 2051.0786 1940.5237 116.2896 -207103.5335 18298.0972 0.0000 0.0000 34337.9877 -149616.3300 299.8822 -183954.3176 -149520.5007 297.9633 155.7681 187.6087 557386.1321 5.8483 5.7473 PRESSURE: 3174200 32.0505 -103.819 45.3887 -103.819 -170.229 -19.776 45.3886 -19.7771 -231.786 GPRESSURE: 3174200 54.9006 -31.6938 17.5166 -112.379 -204.388 -72.1139 61.5055 49.3252 -124.424 PRESSAVG: 3174200 -40.0585 21.3132 -11.0458 21.3132 26.78 20.8104 -11.0458 20.8104 -36.448 GPRESSAVG: 3174200 -40.6021 21.8718 -8.70061 21.9351 26.8521 20.3088 -13.1 20.8202 -36.3073 TIMING: 3174200 CPU: 9455.8, 0.00294267/step Wall: 9455.8, 0.00294267/step, 1.49242 hours remaining, 206.062500 MB of memory in use. ENERGY: 3174200 748.4492 2104.1193 1912.1474 115.5639 -206411.2013 17769.0362 0.0000 0.0000 34216.8504 -149545.0350 298.8243 -183761.8854 -149449.0007 297.7257 -123.3213 -91.3038 557828.6093 -16.5755 -16.6858 PRESSURE: 3174400 68.0117 -8.14509 -46.9385 -8.14502 86.2668 202.577 -46.9391 202.575 485.358 GPRESSURE: 3174400 59.1329 -24.4333 -40.9141 34.4317 129.745 232.706 -30.6233 133.937 548.205 PRESSAVG: 3174400 -12.2299 -24.2521 -5.21027 -24.2521 -3.21003 42.7052 -5.21014 42.7054 -19.4123 GPRESSAVG: 3174400 -12.218 -24.9701 -6.31904 -23.7204 -3.54821 43.8873 -5.40368 41.7956 -18.8427 TIMING: 3174400 CPU: 9456.38, 0.00291627/step Wall: 9456.38, 0.00291627/step, 1.47888 hours remaining, 206.062500 MB of memory in use. ENERGY: 3174400 728.3923 2135.5829 1944.3897 119.9374 -206734.7234 18202.4629 0.0000 0.0000 34267.0756 -149336.8826 299.2629 -183603.9582 -149246.3747 298.4339 213.2122 245.6943 557306.0745 -11.6174 -11.5363 PRESSURE: 3174600 -121.974 -49.6705 -8.01826 -49.671 15.6764 88.7634 -8.01921 88.7644 -136.935 GPRESSURE: 3174600 -68.0166 8.13006 77.8829 -45.8954 39.33 15.8109 -9.72897 133.571 -117.601 PRESSAVG: 3174600 -36.8748 -18.0086 15.8657 -18.0087 15.9649 56.6346 15.8656 56.6345 45.3887 GPRESSAVG: 3174600 -36.7874 -15.8175 16.7235 -18.765 16.1176 55.6372 16.9982 56.0866 45.7355 TIMING: 3174600 CPU: 9456.97, 0.00291276/step Wall: 9456.97, 0.00291276/step, 1.47693 hours remaining, 206.062500 MB of memory in use. ENERGY: 3174600 767.7022 2061.1868 1911.1635 99.5678 -206379.7920 17819.9002 0.0000 0.0000 34452.1108 -149268.1607 300.8789 -183720.2714 -149172.9385 299.2321 -81.0774 -48.7625 558370.3640 8.1596 8.3552 PRESSURE: 3174800 -231.214 46.1596 22.374 46.1591 -190.484 88.9841 22.3746 88.9844 -267.685 GPRESSURE: 3174800 -230.431 49.9295 -79.5491 83.0904 -131.455 31.5933 37.9907 83.037 -234.399 PRESSAVG: 3174800 -25.9333 38.0394 11.3845 38.0394 28.3489 1.95002 11.3845 1.95006 -2.88293 GPRESSAVG: 3174800 -25.5215 37.8641 7.9073 39.7434 27.9003 3.42498 13.707 1.10415 -2.97574 TIMING: 3174800 CPU: 9457.55, 0.0029359/step Wall: 9457.55, 0.0029359/step, 1.4885 hours remaining, 206.062500 MB of memory in use. ENERGY: 3174800 734.9408 2110.9819 1925.3599 109.1072 -205982.4853 17591.3480 0.0000 0.0000 34253.1819 -149257.5654 299.1416 -183510.7474 -149158.1813 299.3951 -229.7942 -198.7616 559282.0537 -0.1558 -0.1990 PRESSURE: 3175000 95.0437 46.5287 27.6315 46.5289 38.5351 59.6756 27.6316 59.675 188.041 GPRESSURE: 3175000 136.934 17.6811 -21.7175 -22.6556 139.207 -101.061 149.281 158.065 148.381 PRESSAVG: 3175000 -34.6311 -20.3147 54.0861 -20.3148 43.9222 -26.9236 54.0861 -26.9235 -39.2038 GPRESSAVG: 3175000 -34.8333 -21.216 57.4232 -22.44 45.5944 -27.3962 51.5993 -24.7614 -40.2766 TIMING: 3175000 CPU: 9458.14, 0.00294042/step Wall: 9458.14, 0.00294042/step, 1.49063 hours remaining, 206.062500 MB of memory in use. ENERGY: 3175000 725.5420 2090.0721 1926.6795 117.7450 -206309.0490 18063.9701 0.0000 0.0000 34191.8716 -149193.1688 298.6061 -183385.0404 -149097.8526 299.1668 107.2065 141.5074 558064.1919 -9.9709 -9.8385 PRESSURE: 3175200 -51.9567 -166.061 212.867 -166.059 26.3782 43.6871 212.867 43.6871 -37.3623 GPRESSURE: 3175200 -90.4894 -176.745 208.065 -49.3891 99.2146 53.915 167.596 96.7811 17.3101 PRESSAVG: 3175200 -46.7319 -41.0913 41.3086 -41.0913 13.1982 -9.9905 41.3086 -9.99041 28.2647 GPRESSAVG: 3175200 -47.0562 -39.6439 40.17 -39.6334 12.3424 -10.6053 41.5403 -9.39101 29.715 TIMING: 3175200 CPU: 9458.73, 0.00295851/step Wall: 9458.73, 0.00295851/step, 1.49963 hours remaining, 206.062500 MB of memory in use. ENERGY: 3175200 749.4343 2027.7920 1974.4858 108.7275 -206091.8982 17747.2459 0.0000 0.0000 34368.3015 -149115.9111 300.1469 -183484.2126 -149020.6727 299.5127 -20.9803 8.6784 557149.7515 -1.7563 -1.6662 PRESSURE: 3175400 -198.943 17.2843 -20.9647 17.2839 -5.5949 33.0348 -20.9649 33.0338 186.57 GPRESSURE: 3175400 -147.511 59.7948 0.756279 41.7268 -11.6767 92.2176 52.0507 22.819 221.361 PRESSAVG: 3175400 23.6003 -45.6352 23.3525 -45.6352 16.0802 -6.40574 23.3525 -6.4058 -18.2144 GPRESSAVG: 3175400 23.4906 -46.1864 23.9004 -48.4117 16.0674 -5.02269 24.3198 -7.43612 -18.2455 TIMING: 3175400 CPU: 9459.32, 0.00295623/step Wall: 9459.32, 0.00295623/step, 1.49832 hours remaining, 206.062500 MB of memory in use. ENERGY: 3175400 694.0018 2091.0203 1928.7146 104.8129 -206133.1513 17620.1905 0.0000 0.0000 34475.5804 -149218.8307 301.0838 -183694.4112 -149119.0071 299.2647 -5.9894 20.7244 557361.9624 7.1553 7.1042 PRESSURE: 3175600 -312.026 84.3503 75.4721 84.351 10.9658 -115.443 75.4719 -115.444 -76.6538 GPRESSURE: 3175600 -266.544 0.128171 44.1167 33.1962 62.1178 -110.69 121.233 -77.9301 -68.9828 PRESSAVG: 3175600 -75.9832 -42.366 -12.8754 -42.366 53.1694 0.571466 -12.8753 0.571622 -6.31628 GPRESSAVG: 3175600 -76.0123 -44.7707 -13.5735 -41.0886 54.5289 -2.12962 -12.9231 1.98696 -7.77265 TIMING: 3175600 CPU: 9459.91, 0.00293798/step Wall: 9459.91, 0.00293798/step, 1.4889 hours remaining, 206.062500 MB of memory in use. ENERGY: 3175600 740.0874 2096.5591 1932.9900 116.1293 -205948.7782 17631.0826 0.0000 0.0000 34215.6143 -149216.3155 298.8135 -183431.9298 -149123.6344 300.0448 -125.9046 -91.1364 559222.2434 -9.7100 -9.7520 PRESSURE: 3175800 205.696 86.7144 -7.12433 86.7134 213.839 92.5712 -7.12395 92.5713 -57.2531 GPRESSURE: 3175800 227.407 84.2553 -3.74181 144.321 224.33 82.1706 11.7202 163.744 12.4615 PRESSAVG: 3175800 21.7926 -35.0548 -28.7957 -35.0548 56.8083 13.8799 -28.7957 13.88 -38.0223 GPRESSAVG: 3175800 21.9439 -34.6459 -30.0934 -33.1158 56.1294 14.8118 -29.5152 12.691 -37.8345 TIMING: 3175800 CPU: 9460.5, 0.00295941/step Wall: 9460.5, 0.0029594/step, 1.4996 hours remaining, 206.062500 MB of memory in use. ENERGY: 3175800 698.6257 2114.1561 1920.7039 105.9896 -206123.9824 17989.4053 0.0000 0.0000 33976.4553 -149318.6466 296.7248 -183295.1019 -149226.9998 299.7485 120.7606 154.7327 557757.1553 13.5262 13.4129 PRESSURE: 3176000 273.825 -45.1478 -42.3612 -45.1478 5.92256 -15.7753 -42.3615 -15.7749 59.3625 GPRESSURE: 3176000 347.537 -91.7476 -23.4137 -89.0993 25.1131 -15.0596 -75.5642 -65.3554 63.5778 PRESSAVG: 3176000 21.1359 11.7793 21.7899 11.7792 -6.22471 12.3757 21.7899 12.3757 -13.6991 GPRESSAVG: 3176000 21.5262 12.8982 21.379 9.97457 -6.82378 12.7487 23.0022 12.3233 -13.9613 TIMING: 3176000 CPU: 9461.09, 0.00295206/step Wall: 9461.09, 0.00295206/step, 1.49571 hours remaining, 206.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3176000 708.4830 2076.4544 1942.4265 105.8539 -206328.3054 18077.1129 0.0000 0.0000 34172.1317 -149245.8430 298.4337 -183417.9747 -149165.6413 299.6886 113.0366 145.4091 556793.5374 0.4040 0.2470 PRESSURE: 3176200 -24.6632 -60.5325 82.7927 -60.534 9.91841 108.094 82.7921 108.093 -52.1529 GPRESSURE: 3176200 -13.4329 -53.1623 12.5622 10.3895 56.6228 97.5107 121.879 96.407 -11.0783 PRESSAVG: 3176200 -24.9148 -5.3007 28.6929 -5.30073 -24.6468 -18.1121 28.6929 -18.1122 32.3188 GPRESSAVG: 3176200 -23.7506 -5.3323 29.2297 -3.62625 -24.8701 -17.3536 26.3202 -18.5654 31.7258 TIMING: 3176200 CPU: 9461.68, 0.00295294/step Wall: 9461.68, 0.00295294/step, 1.49599 hours remaining, 206.062500 MB of memory in use. ENERGY: 3176200 735.4249 2034.7806 1918.5099 118.0626 -206049.1868 17684.7806 0.0000 0.0000 34307.7368 -149249.8914 299.6180 -183557.6282 -149149.7689 298.7432 -22.2992 10.7039 557492.3237 -5.7476 -5.6317 LDB: ============= START OF LOAD BALANCING ============== 9465.23 LDB: ============== END OF LOAD BALANCING =============== 9465.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9465.23 LDB: ============= START OF LOAD BALANCING ============== 9465.52 LDB: Largest compute 4772 load 0.025490 is 21.6% of average load 0.118206 LDB: Average compute 0.001732 is 1.5% of average load 0.118206 LDB: TIME 9465.53 LOAD: AVG 0.118206 MAX 0.194682 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.816 MB LDB: TIME 9465.53 LOAD: AVG 0.118206 MAX 0.194682 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.023 MB LDB: TIME 9465.53 LOAD: AVG 0.118206 MAX 0.194682 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.023 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9465.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9465.53 PRESSURE: 3176400 -38.1255 -34.6557 102.284 -34.6556 -410.752 -41.3345 102.282 -41.3335 -72.9675 GPRESSURE: 3176400 23.9359 1.43384 39.0809 -64.6312 -349.699 -65.1637 127.913 -65.9016 -106.019 PRESSAVG: 3176400 8.88594 -4.05078 -26.1349 -4.05071 3.08403 24.5163 -26.1349 24.5163 -11.0838 GPRESSAVG: 3176400 8.86908 -3.54397 -25.2463 -6.18738 3.05766 22.1902 -24.4009 26.6364 -10.6697 TIMING: 3176400 CPU: 9462.28, 0.00299576/step Wall: 9462.28, 0.00299576/step, 1.51752 hours remaining, 206.941406 MB of memory in use. ENERGY: 3176400 771.4674 2116.0188 1929.4322 116.7264 -205948.0156 17590.1678 0.0000 0.0000 34398.6169 -149025.5862 300.4117 -183424.2030 -148932.5729 299.3212 -173.9484 -143.9274 558824.6960 0.2954 0.4190 PRESSURE: 3176600 -182.797 -92.3929 6.8841 -92.3928 76.5076 -78.6458 6.88439 -78.6457 -106.158 GPRESSURE: 3176600 -150.629 -23.3304 13.5111 -34.7746 150.183 -55.6174 -83.7009 -87.8815 -99.0354 PRESSAVG: 3176600 86.8064 -49.4994 13.0658 -49.4996 -59.5076 -21.7365 13.0658 -21.7365 -41.2949 GPRESSAVG: 3176600 85.6296 -49.3956 15.5478 -48.3584 -58.5926 -21.132 11.1905 -22.4926 -40.6238 TIMING: 3176600 CPU: 9462.87, 0.00295111/step Wall: 9462.87, 0.00295111/step, 1.49474 hours remaining, 207.320312 MB of memory in use. ENERGY: 3176600 752.2935 2104.8082 1922.4370 117.3503 -206002.0237 17634.6740 0.0000 0.0000 34471.0816 -148999.3792 301.0445 -183470.4608 -148905.9425 300.6125 -70.8159 -33.1602 557419.0689 -4.6654 -4.5289 PRESSURE: 3176800 -131.421 -148.135 58.5471 -148.135 -130.685 -59.7102 58.547 -59.7115 4.77286 GPRESSURE: 3176800 -151.091 -111.898 -25.7497 -177.022 -118.094 -76.835 153.107 -57.8179 103.067 PRESSAVG: 3176800 -16.7536 -29.6745 -28.8767 -29.6745 15.7597 9.89743 -28.8768 9.89744 -26.834 GPRESSAVG: 3176800 -15.9 -29.2562 -32.0656 -31.0298 14.4011 9.5885 -26.5946 10.1793 -27.0656 TIMING: 3176800 CPU: 9463.46, 0.0029253/step Wall: 9463.46, 0.0029253/step, 1.4815 hours remaining, 207.320312 MB of memory in use. ENERGY: 3176800 749.2902 2094.1027 1924.1222 113.5156 -205834.3640 17683.7308 0.0000 0.0000 34249.1697 -149020.4328 299.1065 -183269.6025 -148922.8816 300.5059 -85.7776 -55.3726 558741.8118 -9.2760 -9.5215 PRESSURE: 3177000 89.4545 66.2268 -40.2884 66.2257 284.354 18.1489 -40.2898 18.1486 5.9416 GPRESSURE: 3177000 152.854 58.6524 -66.0891 165.052 291.974 4.28293 -69.2515 146.046 26.5702 PRESSAVG: 3177000 13.4864 -84.7788 -9.40389 -84.7788 -2.75657 32.1102 -9.40376 32.1101 -14.8738 GPRESSAVG: 3177000 13.0514 -84.7112 -8.58621 -84.9683 -2.93033 32.5887 -11.6783 33.447 -14.113 TIMING: 3177000 CPU: 9464.05, 0.00294457/step Wall: 9464.05, 0.00294457/step, 1.4911 hours remaining, 207.320312 MB of memory in use. ENERGY: 3177000 700.8415 2136.3152 1960.0142 122.4555 -206636.8125 17979.7020 0.0000 0.0000 34550.8108 -149186.6733 301.7408 -183737.4841 -149087.7474 299.7297 126.5835 157.1328 557395.3323 -1.3813 -1.3307 PRESSURE: 3177200 -35.3868 67.8668 83.3872 67.8662 107.9 7.34099 83.3862 7.34061 -91.9333 GPRESSURE: 3177200 -96.0247 -49.5649 34.3574 91.7565 171.038 62.3273 158.483 13.4106 -2.32743 PRESSAVG: 3177200 33.3321 -30.4468 -21.4501 -30.4468 15.165 -27.1343 -21.45 -27.1343 -29.7961 GPRESSAVG: 3177200 32.3695 -31.5588 -22.1267 -28.8071 15.5831 -26.9607 -21.4747 -28.3468 -29.6064 TIMING: 3177200 CPU: 9464.64, 0.00293853/step Wall: 9464.64, 0.00293853/step, 1.48787 hours remaining, 207.320312 MB of memory in use. ENERGY: 3177200 753.8155 2073.9462 1958.0770 114.4734 -206150.4009 17649.9047 0.0000 0.0000 34279.3137 -149320.8704 299.3698 -183600.1841 -149216.2548 299.1633 -6.4735 24.2285 556923.8443 6.2337 6.1154 PRESSURE: 3177400 -55.564 135.159 -196.166 135.158 -69.5598 161.972 -196.165 161.971 -66.0747 GPRESSURE: 3177400 9.7477 73.8225 -153.097 133.192 -84.0561 144.634 -128.708 155.009 -8.32191 PRESSAVG: 3177400 -25.8155 18.0054 -14.7978 18.0055 -17.9398 -30.9028 -14.7979 -30.9028 24.1924 GPRESSAVG: 3177400 -24.5739 18.7851 -13.4608 16.1489 -18.3938 -29.5778 -14.8504 -30.2463 24.0109 TIMING: 3177400 CPU: 9465.22, 0.00291398/step Wall: 9465.22, 0.00291398/step, 1.47528 hours remaining, 207.320312 MB of memory in use. ENERGY: 3177400 763.7963 2061.7120 1955.7121 111.1539 -206224.4713 17717.0697 0.0000 0.0000 34325.8002 -149289.2271 299.7758 -183615.0273 -149197.7740 298.8565 -63.7328 -27.5434 557718.6515 -6.5209 -6.3189 PRESSURE: 3177600 124.644 18.5303 -8.70092 18.53 222.79 -96.3166 -8.69972 -96.3163 -172.727 GPRESSURE: 3177600 180.322 74.6426 -28.6475 44.0503 184.625 -103.209 -63.2741 -142.885 -93.1145 PRESSAVG: 3177600 24.1085 -30.2547 -16.0214 -30.2547 28.1785 -42.5566 -16.0214 -42.5566 19.3019 GPRESSAVG: 3177600 23.9921 -30.2289 -17.5012 -29.2896 28.924 -44.1168 -13.5999 -42.6528 19.13 TIMING: 3177600 CPU: 9465.8, 0.00292392/step Wall: 9465.8, 0.00292392/step, 1.48015 hours remaining, 207.320312 MB of memory in use. ENERGY: 3177600 756.6217 2042.5348 1970.9809 112.6861 -206304.5091 17892.6160 0.0000 0.0000 34363.3027 -149165.7669 300.1033 -183529.0696 -149068.1170 299.4423 58.2355 90.6109 556397.8010 23.8630 24.0154 PRESSURE: 3177800 117.992 58.6186 9.4432 58.619 42.2345 208.731 9.44428 208.73 167.621 GPRESSURE: 3177800 176.246 15.993 -36.6911 54.8798 26.6772 127.806 40.0652 176.103 216.082 PRESSAVG: 3177800 -29.1116 -21.5887 -4.35188 -21.5886 29.4315 3.09649 -4.35186 3.09641 5.24598 GPRESSAVG: 3177800 -28.5985 -21.5616 -4.79671 -22.1773 30.6137 3.52705 -4.23807 2.80276 4.15975 TIMING: 3177800 CPU: 9466.38, 0.0028939/step Wall: 9466.38, 0.0028939/step, 1.4648 hours remaining, 207.320312 MB of memory in use. ENERGY: 3177800 743.0407 2067.0121 1950.2896 114.0558 -206483.2584 18058.7594 0.0000 0.0000 34358.7391 -149191.3616 300.0634 -183550.1007 -149091.1992 299.2476 109.2825 139.6685 557676.7581 1.8553 2.0583 PRESSURE: 3178000 3.02802 42.643 -62.7692 42.6434 110.082 -91.739 -62.7696 -91.7389 -261.303 GPRESSURE: 3178000 39.4727 -20.0212 -53.6302 99.9516 143.428 -163.559 -85.4908 -151.601 -236.613 PRESSAVG: 3178000 -48.554 21.2754 -57.153 21.2756 24.4543 -29.0474 -57.153 -29.0473 35.6627 GPRESSAVG: 3178000 -49.4837 22.1737 -55.4821 23.5229 23.8007 -28.8544 -58.2953 -29.4034 37.2953 TIMING: 3178000 CPU: 9466.96, 0.00289011/step Wall: 9466.96, 0.00289011/step, 1.46272 hours remaining, 207.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3178000 721.5149 2100.7486 1931.3602 117.1969 -206499.6238 17951.2204 0.0000 0.0000 34379.8047 -149297.7782 300.2474 -183677.5829 -149202.6945 298.7184 -49.3977 -17.9040 557259.6076 3.8543 3.8708 PRESSURE: 3178200 -217.618 -3.3404 -83.1046 -3.33934 11.5123 44.1617 -83.1057 44.1619 248.809 GPRESSURE: 3178200 -245.348 -75.1388 -148.91 9.89581 87.7206 19.3133 -33.0923 75.3493 293.936 PRESSAVG: 3178200 -31.1388 -3.30406 -25.1773 -3.304 63.6236 20.6923 -25.1773 20.6922 -13.5142 GPRESSAVG: 3178200 -30.5232 -6.2816 -24.9694 -2.88637 63.3345 19.0418 -24.8102 20.5099 -14.4119 TIMING: 3178200 CPU: 9467.55, 0.00294866/step Wall: 9467.55, 0.00294866/step, 1.49219 hours remaining, 207.320312 MB of memory in use. ENERGY: 3178200 716.8851 2089.8126 1948.5002 123.8251 -206229.8876 17834.1409 0.0000 0.0000 34133.1188 -149383.6051 298.0930 -183516.7239 -149287.7026 299.0807 14.2346 45.4361 557820.6934 6.3235 6.1331 PRESSURE: 3178400 -320.866 68.3227 182.315 68.3238 -166.371 115.247 182.315 115.245 -83.3365 GPRESSURE: 3178400 -289.348 85.8154 100.185 27.8222 -100.932 101.823 247.964 117.374 -79.0851 PRESSAVG: 3178400 -35.7492 4.20137 -9.1082 4.20136 -6.96718 9.68295 -9.10816 9.68302 89.7435 GPRESSAVG: 3178400 -35.0326 7.03335 -10.7562 3.18445 -8.14825 11.5235 -7.91929 10.8185 90.1876 TIMING: 3178400 CPU: 9468.14, 0.0029615/step Wall: 9468.14, 0.0029615/step, 1.49852 hours remaining, 207.320312 MB of memory in use. ENERGY: 3178400 771.4898 2074.7900 1920.2988 119.0539 -206004.1043 17508.9366 0.0000 0.0000 34213.4198 -149396.1155 298.7943 -183609.5352 -149302.2653 298.7478 -190.1912 -156.4551 557871.1098 15.6757 15.6689 PRESSURE: 3178600 53.7693 -41.2035 115.559 -41.2046 238.173 -111.172 115.56 -111.172 192.137 GPRESSURE: 3178600 82.9282 -75.8158 94.4196 -26.5864 280.635 -88.9522 133.533 -140.029 221.167 PRESSAVG: 3178600 -35.1995 36.4357 31.9334 36.4356 -13.2917 12.9696 31.9335 12.9696 67.3742 GPRESSAVG: 3178600 -35.1515 33.3159 33.5798 36.5717 -13.1057 11.1559 30.4168 13.1063 66.3866 TIMING: 3178600 CPU: 9468.73, 0.00295661/step Wall: 9468.73, 0.00295661/step, 1.49588 hours remaining, 207.320312 MB of memory in use. ENERGY: 3178600 744.9613 2105.4921 1925.4388 104.1457 -206366.2458 17985.1657 0.0000 0.0000 34093.4870 -149407.5552 297.7469 -183501.0422 -149316.5943 298.9589 161.3600 194.9099 556409.3429 6.2943 6.0431 PRESSURE: 3178800 35.4285 -31.172 51.9998 -31.1729 -25.4481 -16.4816 51.9992 -16.482 -124.41 GPRESSURE: 3178800 29.0348 -20.6383 17.6115 -74.5695 29.8485 -22.5194 45.4216 58.3424 -82.083 PRESSAVG: 3178800 -32.188 8.58509 36.5293 8.58508 45.379 -25.7259 36.5293 -25.7258 6.57619 GPRESSAVG: 3178800 -33.6226 12.3082 37.0247 7.64203 47.0998 -24.8841 34.244 -25.513 6.6653 TIMING: 3178800 CPU: 9469.33, 0.00297263/step Wall: 9469.33, 0.00297263/step, 1.50382 hours remaining, 207.320312 MB of memory in use. ENERGY: 3178800 780.3099 2055.2966 1920.6842 108.2034 -206017.6955 17707.6194 0.0000 0.0000 34263.1947 -149182.3872 299.2290 -183445.5819 -149085.4849 298.4031 -38.1432 -7.7332 557270.1270 6.5891 6.7142 PRESSURE: 3179000 -159.574 -141.666 76.999 -141.666 12.3137 8.3917 76.9983 8.39278 -134.585 GPRESSURE: 3179000 -152.174 -222.711 61.3001 -23.3528 -16.0794 29.617 76.6254 -5.66765 -22.2125 PRESSAVG: 3179000 -33.5264 4.79671 21.0098 4.79677 41.219 -18.7862 21.0097 -18.7862 21.4415 GPRESSAVG: 3179000 -32.4405 2.68121 17.6681 4.97228 40.209 -15.4156 23.5077 -21.6917 21.0931 TIMING: 3179000 CPU: 9469.92, 0.00298117/step Wall: 9469.92, 0.00298117/step, 1.50797 hours remaining, 207.320312 MB of memory in use. ENERGY: 3179000 736.4751 1994.3212 1924.3428 120.7243 -205714.6795 17532.4137 0.0000 0.0000 34149.0521 -149257.3502 298.2322 -183406.4023 -149161.4981 299.2100 -93.9485 -63.4888 557767.3490 9.7114 9.6205 PRESSURE: 3179200 3.45376 -41.55 87.1 -41.5497 -47.0813 33.5047 87.0997 33.5024 -19.8361 GPRESSURE: 3179200 63.1586 -39.9967 213.585 -38.8724 -8.43464 36.9083 5.1246 14.8794 -28.1902 PRESSAVG: 3179200 1.30634 -51.6617 62.3963 -51.6617 -28.1945 4.17652 62.3963 4.1765 1.38335 GPRESSAVG: 3179200 2.32159 -50.6094 62.7627 -52.3087 -28.9246 2.20305 61.4441 5.54674 1.24484 TIMING: 3179200 CPU: 9470.52, 0.00297947/step Wall: 9470.52, 0.00297947/step, 1.50695 hours remaining, 207.320312 MB of memory in use. ENERGY: 3179200 714.6043 2105.4036 1931.1016 110.9219 -205835.4261 17601.8230 0.0000 0.0000 34239.5897 -149131.9820 299.0229 -183371.5717 -149033.2488 299.1096 -21.1546 8.8446 557810.7713 -8.5016 -8.4527 PRESSURE: 3179400 -104.898 20.2007 -4.04299 20.1991 -112.57 59.3092 -4.04234 59.3093 -137.72 GPRESSURE: 3179400 -54.1201 28.9662 4.28475 89.3901 -86.7205 47.2335 -18.1318 74.9164 -114.576 PRESSAVG: 3179400 34.0191 -36.4417 54.7857 -36.4418 -11.2325 2.79734 54.7857 2.79722 -0.755573 GPRESSAVG: 3179400 33.4267 -37.5028 56.4652 -34.232 -10.6225 2.65041 53.7209 3.33557 0.0198404 TIMING: 3179400 CPU: 9471.11, 0.00295306/step Wall: 9471.11, 0.00295306/step, 1.49343 hours remaining, 207.320312 MB of memory in use. ENERGY: 3179400 755.7409 2063.8431 1919.5918 113.3818 -205946.5439 17674.7752 0.0000 0.0000 34291.5257 -149127.6855 299.4764 -183419.2112 -149026.1321 299.8480 -118.3960 -85.1388 557040.5849 7.3437 7.6080 PRESSURE: 3179600 78.7745 106.269 137.256 106.27 151.723 78.1436 137.255 78.1434 14.6011 GPRESSURE: 3179600 109.533 26.9108 104.189 143.772 217.115 61.7586 53.7913 23.2967 19.7987 PRESSAVG: 3179600 -3.12532 18.4571 64.9517 18.4572 5.9996 4.96835 64.9518 4.96833 -14.7229 GPRESSAVG: 3179600 -4.65285 20.0635 65.5808 15.6571 6.61189 3.93805 65.1162 4.28298 -14.1008 TIMING: 3179600 CPU: 9471.7, 0.00296327/step Wall: 9471.7, 0.00296327/step, 1.49843 hours remaining, 207.320312 MB of memory in use. ENERGY: 3179600 732.3634 2056.5961 1936.8243 111.4698 -206355.3142 17963.4004 0.0000 0.0000 34428.5964 -149126.0639 300.6735 -183554.6603 -149025.6031 300.1456 81.6994 115.4823 555779.5028 -3.9496 -4.0472 PRESSURE: 3179800 -0.695025 -166.902 170.297 -166.902 14.3236 -96.4157 170.299 -96.416 70.1574 GPRESSURE: 3179800 71.0096 -121.626 190.547 -164.186 73.3277 -117.533 120.041 -12.2175 46.3654 PRESSAVG: 3179800 13.0554 6.29856 -5.07488 6.29859 -24.4189 -16.3581 -5.07482 -16.358 1.22565 GPRESSAVG: 3179800 14.9061 6.98129 -6.33508 7.83248 -25.2225 -13.9161 -4.13486 -16.7775 0.567767 TIMING: 3179800 CPU: 9472.3, 0.00296006/step Wall: 9472.3, 0.00296006/step, 1.49664 hours remaining, 207.320312 MB of memory in use. ENERGY: 3179800 752.3587 1992.2016 1941.8485 115.5490 -206218.4312 17937.7360 0.0000 0.0000 34182.7349 -149296.0025 298.5263 -183478.7374 -149198.0228 299.1589 27.9286 63.5676 557918.8772 -3.3793 -3.2496 PRESSURE: 3180000 -24.391 2.07199 29.9908 2.07175 -39.3458 23.649 29.9911 23.6493 66.243 GPRESSURE: 3180000 34.4801 32.8616 -39.3203 44.8618 1.39557 96.7775 90.8808 45.2112 86.1081 PRESSAVG: 3180000 -18.0653 2.88466 -6.16268 2.88476 17.832 -2.24573 -6.1627 -2.24567 -2.17942 GPRESSAVG: 3180000 -18.2034 2.83549 -7.64952 3.12232 17.5886 -2.45729 -6.49666 -3.12556 -1.11147 TIMING: 3180000 CPU: 9472.88, 0.00294903/step Wall: 9472.88, 0.00294903/step, 1.4909 hours remaining, 207.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3180000 769.4045 2083.5125 1968.5551 119.3401 -206655.5382 18071.2840 0.0000 0.0000 34013.3996 -149630.0424 297.0475 -183643.4420 -149540.5063 298.2535 0.8354 40.6613 556666.0305 -0.8042 -0.5754 PRESSURE: 3180200 -8.11369 6.59815 -203.018 6.59872 -38.5315 -10.8312 -203.018 -10.8316 -369.856 GPRESSURE: 3180200 -24.3432 47.1681 -117.174 -70.1495 29.4874 -29.693 -216.544 31.863 -307.724 PRESSAVG: 3180200 117.452 35.6554 -15.1641 35.6553 -59.5276 -9.80111 -15.1641 -9.8011 -0.27831 GPRESSAVG: 3180200 116.197 34.4302 -13.6085 36.2616 -58.012 -7.47598 -15.5381 -11.2943 -0.828456 TIMING: 3180200 CPU: 9473.47, 0.00292592/step Wall: 9473.47, 0.00292592/step, 1.47905 hours remaining, 207.320312 MB of memory in use. ENERGY: 3180200 758.4512 2153.4646 1974.8864 124.1865 -206241.9082 17760.7356 0.0000 0.0000 34155.9567 -149314.2272 298.2925 -183470.1839 -149213.7058 298.8704 -138.8336 -100.8598 557937.0751 19.2152 19.1187 LDB: ============= START OF LOAD BALANCING ============== 9477.01 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9477.01 LDB: =============== DONE WITH MIGRATION ================ 9477.02 LDB: ============= START OF LOAD BALANCING ============== 9477.31 LDB: Largest compute 4772 load 0.025050 is 21.2% of average load 0.118302 LDB: Average compute 0.001722 is 1.5% of average load 0.118302 LDB: TIME 9477.31 LOAD: AVG 0.118302 MAX 0.194976 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.816 MB LDB: TIME 9477.31 LOAD: AVG 0.118302 MAX 0.194976 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.879 MB LDB: TIME 9477.31 LOAD: AVG 0.118302 MAX 0.194976 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.879 MB LDB: ============== END OF LOAD BALANCING =============== 9477.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9477.32 PRESSURE: 3180400 -371.997 18.4813 -9.72368 18.4809 38.407 71.6788 -9.72432 71.6788 -67.8871 GPRESSURE: 3180400 -326.4 15.7574 88.8914 2.16897 26.2275 30.4137 -42.0135 168.234 -4.00082 PRESSAVG: 3180400 14.4022 87.6329 -27.1384 87.6329 -45.4024 25.2298 -27.1385 25.2297 20.996 GPRESSAVG: 3180400 14.1575 87.8544 -27.4075 88.0401 -46.3873 22.3461 -26.0122 27.0366 21.8969 TIMING: 3180400 CPU: 9474.07, 0.0029928/step Wall: 9474.07, 0.0029928/step, 1.51269 hours remaining, 205.824219 MB of memory in use. ENERGY: 3180400 787.6860 2144.4160 1923.6734 123.6446 -206591.1724 17869.5541 0.0000 0.0000 34216.7620 -149525.4362 298.8235 -183742.1982 -149421.8530 298.8522 -133.8257 -101.3913 558237.5021 -3.3347 -3.4443 PRESSURE: 3180600 -123.744 -65.7654 186.395 -65.7648 13.2127 5.20575 186.395 5.20751 107.396 GPRESSURE: 3180600 -118.511 -92.3045 128.985 -78.633 86.8827 -14.9058 150.652 -98.4193 125.736 PRESSAVG: 3180600 -33.0646 -0.89967 -3.20638 -0.89962 9.88329 -0.820476 -3.20626 -0.820331 4.78784 GPRESSAVG: 3180600 -31.4144 -0.341577 -2.79011 -1.07016 9.83643 -0.972811 -4.1789 -0.490017 3.41127 TIMING: 3180600 CPU: 9474.65, 0.00292285/step Wall: 9474.65, 0.00292285/step, 1.47718 hours remaining, 205.824219 MB of memory in use. ENERGY: 3180600 770.5930 2145.3913 1921.4689 106.0958 -206929.1441 18094.6053 0.0000 0.0000 34422.7372 -149468.2527 300.6223 -183890.9899 -149364.2306 298.3299 -1.0453 31.3692 557619.8332 -6.1311 -6.0556 PRESSURE: 3180800 223.249 14.2743 55.1168 14.2752 -87.815 -95.5957 55.1171 -95.5967 110.419 GPRESSURE: 3180800 271.51 93.6292 129.186 -4.56789 -71.6194 -63.8699 -104.5 -108.059 136.767 PRESSAVG: 3180800 -1.85715 -15.4099 12.9671 -15.4099 20.1056 34.5022 12.9672 34.5021 8.55353 GPRESSAVG: 3180800 -1.7467 -16.909 13.4559 -14.7646 19.4267 35.2832 13.0478 35.3462 9.18425 TIMING: 3180800 CPU: 9475.24, 0.00292266/step Wall: 9475.24, 0.00292266/step, 1.47692 hours remaining, 205.824219 MB of memory in use. ENERGY: 3180800 740.2808 2117.6758 1904.2227 119.3642 -206591.4564 17915.2194 0.0000 0.0000 34203.1657 -149591.5278 298.7048 -183794.6935 -149498.2824 298.5388 81.9510 112.2194 557379.7722 8.9340 8.9547 PRESSURE: 3181000 -123.92 -22.9426 18.3499 -22.9425 -291.742 3.65152 18.3501 3.6506 65.6115 GPRESSURE: 3181000 -29.1077 -67.6394 83.7033 27.4876 -282.382 -12.5397 20.6007 26.8498 45.6241 PRESSAVG: 3181000 -23.6212 -29.7307 62.768 -29.7307 -4.47266 -9.39665 62.768 -9.39671 66.0231 GPRESSAVG: 3181000 -23.3407 -28.6772 61.8373 -30.2299 -2.74582 -9.49663 63.5581 -9.40238 64.4581 TIMING: 3181000 CPU: 9475.82, 0.0029197/step Wall: 9475.82, 0.0029197/step, 1.47526 hours remaining, 205.824219 MB of memory in use. ENERGY: 3181000 750.0858 2064.5833 1936.1567 120.9582 -206094.9301 17638.0640 0.0000 0.0000 34143.7905 -149441.2916 298.1862 -183585.0821 -149349.5131 298.7961 -116.6832 -88.6219 556866.1800 12.6431 12.7905 PRESSURE: 3181200 -14.3906 176.043 -13.7184 176.044 -152.769 227.125 -13.7184 227.124 114.228 GPRESSURE: 3181200 27.4839 147.248 -50.9869 149.865 -122.859 228.487 50.0127 223.304 130.55 PRESSAVG: 3181200 10.5285 -31.389 35.009 -31.3891 -46.9133 51.6944 35.0091 51.6944 61.5811 GPRESSAVG: 3181200 10.0053 -31.3163 35.2201 -32.4833 -47.541 50.9327 34.5823 52.9336 62.7913 TIMING: 3181200 CPU: 9476.41, 0.00292067/step Wall: 9476.41, 0.00292067/step, 1.47559 hours remaining, 205.824219 MB of memory in use. ENERGY: 3181200 751.3506 2110.0222 1965.3576 103.3018 -206799.5921 18059.3502 0.0000 0.0000 34123.5076 -149686.7020 298.0091 -183810.2096 -149592.1929 298.9911 -17.6436 11.7248 558330.7116 8.3988 8.4185 PRESSURE: 3181400 -33.3868 190.912 -3.21029 190.911 -39.6015 173.4 -3.21081 173.399 56.5483 GPRESSURE: 3181400 53.2583 227.192 -17.9753 142.852 -12.5646 115.271 22.5413 191.814 40.7415 PRESSAVG: 3181400 0.44771 -12.0897 5.18487 -12.0898 -17.8044 -27.5981 5.185 -27.5981 43.7102 GPRESSAVG: 3181400 0.923061 -12.2048 4.80572 -13.3798 -18.2546 -27.9334 5.70129 -29.2756 44.2994 TIMING: 3181400 CPU: 9476.99, 0.00293261/step Wall: 9476.99, 0.00293261/step, 1.48146 hours remaining, 205.824219 MB of memory in use. ENERGY: 3181400 748.7350 2082.2653 1956.1669 118.1955 -206661.8360 17987.4088 0.0000 0.0000 34116.1375 -149652.9270 297.9447 -183769.0645 -149556.2172 298.1815 -5.4800 27.1451 559139.4930 8.7845 8.9893 PRESSURE: 3181600 -231.122 155.287 114.695 155.287 -56.4402 101.952 114.696 101.952 -167.905 GPRESSURE: 3181600 -260.434 168.833 175.409 89.0689 52.2678 109.079 24.1788 59.5692 -149.613 PRESSAVG: 3181600 -51.538 43.3001 53.1724 43.3001 38.4041 47.5749 53.1725 47.575 46.8947 GPRESSAVG: 3181600 -52.1923 43.8777 53.9375 43.8946 38.3935 47.8475 53.2719 47.8658 47.7745 TIMING: 3181600 CPU: 9477.58, 0.00293943/step Wall: 9477.58, 0.00293943/step, 1.48474 hours remaining, 205.824219 MB of memory in use. ENERGY: 3181600 755.7904 2088.4928 1905.1064 123.1435 -206443.8944 17795.2947 0.0000 0.0000 34227.1363 -149548.9303 298.9141 -183776.0666 -149454.0592 297.9862 -151.8224 -119.2599 559036.0647 11.2536 11.3252 PRESSURE: 3181800 -104.742 -92.8594 -53.66 -92.8619 -261.571 46.4032 -53.659 46.4024 -193.219 GPRESSURE: 3181800 -91.434 -71.4039 -8.32616 -9.11357 -221.162 -20.5544 -64.0921 22.0294 -143.19 PRESSAVG: 3181800 10.533 -0.0172238 -5.76935 -0.0172263 -11.9214 30.5973 -5.76936 30.5973 -34.9039 GPRESSAVG: 3181800 10.2091 0.00951105 -6.61089 -0.629484 -10.6061 31.7763 -6.07108 31.4507 -35.1209 TIMING: 3181800 CPU: 9478.17, 0.00297263/step Wall: 9478.17, 0.00297263/step, 1.50134 hours remaining, 205.863281 MB of memory in use. ENERGY: 3181800 757.7963 2108.5923 1937.1066 131.7456 -206232.9377 17669.4155 0.0000 0.0000 34061.2432 -149567.0382 297.4653 -183628.2814 -149479.5201 297.9982 -186.5107 -151.9287 557803.5249 -12.0974 -11.8393 PRESSURE: 3182000 26.0009 -80.8203 39.8913 -80.8205 93.3441 -69.1808 39.8912 -69.1818 58.565 GPRESSURE: 3182000 89.7159 24.2559 20.5183 -161.451 88.8368 -180.793 23.201 -45.9244 87.5384 PRESSAVG: 3182000 19.5815 0.862217 -25.2627 0.862173 -9.19113 -2.85507 -25.2626 -2.85523 -18.8246 GPRESSAVG: 3182000 20.3599 1.47885 -25.8629 0.0298762 -9.37151 -1.89142 -23.8905 -2.74991 -19.2487 TIMING: 3182000 CPU: 9478.76, 0.00295074/step Wall: 9478.76, 0.00295074/step, 1.49012 hours remaining, 205.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3182000 768.3201 2109.8562 1946.3862 120.6664 -206983.4387 18264.4779 0.0000 0.0000 34271.9950 -149501.7369 299.3059 -183773.7319 -149402.3635 298.4084 59.3033 88.6970 557576.6347 -2.8114 -2.7534 PRESSURE: 3182200 255.653 -58.5798 53.7269 -58.5779 310.589 -40.5428 53.7278 -40.5406 218.082 GPRESSURE: 3182200 250.508 15.9011 93.7554 -105.06 349.771 -100.378 -3.27433 29.7593 273.553 PRESSAVG: 3182200 8.51587 -27.5707 -26.3007 -27.5705 4.43849 19.3359 -26.3006 19.336 -6.49423 GPRESSAVG: 3182200 7.70317 -27.1536 -25.8138 -26.6809 3.05333 16.6798 -28.6497 18.0338 -5.1362 TIMING: 3182200 CPU: 9479.35, 0.00293951/step Wall: 9479.35, 0.00293951/step, 1.48429 hours remaining, 205.863281 MB of memory in use. ENERGY: 3182200 734.3466 2197.8750 1939.0639 107.8045 -206829.0984 18129.7382 0.0000 0.0000 34231.8569 -149488.4134 298.9553 -183720.2704 -149395.9169 298.6057 261.4417 291.2771 556318.4575 2.1534 1.8734 PRESSURE: 3182400 -62.9778 -84.0774 -106.172 -84.0781 61.9918 -74.7711 -106.172 -74.7712 74.9019 GPRESSURE: 3182400 -27.7204 -45.3738 -32.3298 -143.955 137.338 -41.2988 -80.4398 -70.1238 57.8506 PRESSAVG: 3182400 28.9329 -57.7054 -55.2524 -57.7055 -52.0955 3.02049 -55.2523 3.02057 29.623 GPRESSAVG: 3182400 28.8837 -60.7886 -52.7298 -56.797 -51.8346 7.28297 -55.4193 0.884998 29.3452 TIMING: 3182400 CPU: 9479.93, 0.00290905/step Wall: 9479.93, 0.00290905/step, 1.46875 hours remaining, 205.863281 MB of memory in use. ENERGY: 3182400 746.8962 2060.0659 1954.5631 99.0203 -206308.0771 18035.4637 0.0000 0.0000 34107.3005 -149304.7673 297.8675 -183412.0678 -149203.2776 299.3078 24.6386 55.8226 557518.1181 2.1535 2.1314 PRESSURE: 3182600 -82.3604 3.50911 -99.5526 3.50868 114.387 -0.137704 -99.5526 -0.137937 -37.4556 GPRESSURE: 3182600 -43.7349 45.5519 -75.2921 -8.74447 138.684 0.18515 -100.583 -65.5505 0.0469847 PRESSAVG: 3182600 -26.5945 -28.09 -48.3382 -28.09 -16.2553 -10.902 -48.3382 -10.9019 16.528 GPRESSAVG: 3182600 -26.4491 -25.1181 -49.0565 -28.1488 -16.5405 -13.455 -47.6597 -9.77477 16.79 TIMING: 3182600 CPU: 9480.52, 0.00294517/step Wall: 9480.52, 0.00294517/step, 1.48682 hours remaining, 205.863281 MB of memory in use. ENERGY: 3182600 738.2605 2156.1204 1933.8512 119.3054 -206252.1450 17821.5355 0.0000 0.0000 34134.5987 -149348.4733 298.1059 -183483.0719 -149257.4416 299.5377 -1.8095 31.6655 557256.4140 -8.7739 -8.7332 PRESSURE: 3182800 -69.9875 17.1072 85.3964 17.1061 -90.6034 -45.4774 85.3971 -45.4781 -216.118 GPRESSURE: 3182800 -10.108 -14.3606 178.541 -27.1972 -33.9039 -13.1226 118.541 -85.2151 -242.876 PRESSAVG: 3182800 18.6744 -6.80758 17.3806 -6.80757 32.3072 -20.3562 17.3806 -20.3562 -20.4785 GPRESSAVG: 3182800 19.5466 -8.83251 15.8378 -5.67663 32.067 -21.6896 18.3793 -19.8184 -21.1493 TIMING: 3182800 CPU: 9481.12, 0.00296195/step Wall: 9481.12, 0.00296195/step, 1.49513 hours remaining, 205.863281 MB of memory in use. ENERGY: 3182800 721.7622 2046.5797 1908.5561 117.6508 -205912.3825 17552.0382 0.0000 0.0000 34316.8158 -149248.9796 299.6973 -183565.7955 -149139.0395 299.5615 -125.5695 -95.6293 557420.9891 10.1677 10.1547 PRESSURE: 3183000 -36.9823 -9.35536 -98.7419 -9.35553 -185.314 -12.8605 -98.7421 -12.8607 185.646 GPRESSURE: 3183000 -38.1818 34.1886 -139.883 -77.6203 -136.583 -0.36237 -80.16 32.4073 245.589 PRESSAVG: 3183000 63.5582 -6.7368 -74.3422 -6.73664 15.6465 -55.5702 -74.3422 -55.5702 -26.1609 GPRESSAVG: 3183000 63.5502 -4.94853 -74.5304 -7.3457 16.0421 -54.5961 -75.6415 -53.1483 -26.4109 TIMING: 3183000 CPU: 9481.71, 0.00295337/step Wall: 9481.71, 0.00295337/step, 1.49063 hours remaining, 205.863281 MB of memory in use. ENERGY: 3183000 709.9510 2071.7217 1944.4079 109.9724 -206283.8175 17780.9127 0.0000 0.0000 34329.7154 -149337.1364 299.8099 -183666.8518 -149240.2416 299.2701 -12.2166 23.6080 557602.3861 17.6813 17.7271 PRESSURE: 3183200 -21.813 -61.0425 51.6634 -61.0427 4.4476 163.842 51.6639 163.841 -89.2775 GPRESSURE: 3183200 43.6625 -100.497 30.2969 -119.749 -32.0911 105.474 98.9103 137.12 0.0728302 PRESSAVG: 3183200 0.484866 -38.6029 -81.9073 -38.6028 25.9304 39.4126 -81.9073 39.4126 -10.2247 GPRESSAVG: 3183200 0.694287 -38.5747 -80.6958 -40.2366 24.9784 41.3798 -81.5441 37.8591 -9.96815 TIMING: 3183200 CPU: 9482.3, 0.00294853/step Wall: 9482.3, 0.00294853/step, 1.48802 hours remaining, 205.863281 MB of memory in use. ENERGY: 3183200 724.7051 2082.9457 1927.0576 106.0420 -205942.0262 17639.4274 0.0000 0.0000 34222.0059 -149239.8427 298.8693 -183461.8486 -149149.4760 298.5229 -35.5476 3.8814 556807.4196 5.3968 5.2348 PRESSURE: 3183400 51.783 -66.0916 -94.3941 -66.0906 -21.3171 -35.3051 -94.3945 -35.3044 48.2943 GPRESSURE: 3183400 90.0882 -52.7411 -194.554 -17.5595 -20.6948 -51.5187 -41.7339 -6.97282 109.586 PRESSAVG: 3183400 71.9473 -3.06579 62.9676 -3.06583 30.4471 3.7688 62.9676 3.76892 -52.4326 GPRESSAVG: 3183400 72.6474 -5.07904 63.1059 -1.12768 30.6873 3.77375 62.7002 1.70935 -53.6005 TIMING: 3183400 CPU: 9482.89, 0.00299002/step Wall: 9482.89, 0.00299002/step, 1.5088 hours remaining, 205.863281 MB of memory in use. ENERGY: 3183400 756.9526 2119.2362 1925.4177 120.8513 -206263.6205 17823.1106 0.0000 0.0000 34174.6886 -149343.3635 298.4561 -183518.0521 -149247.8602 299.2834 26.2534 59.6598 557685.8464 16.6539 16.5781 PRESSURE: 3183600 -186.205 103.774 -88.3006 103.775 -65.6507 97.5005 -88.2999 97.4999 -213.171 GPRESSURE: 3183600 -163.309 45.8812 -152.69 178.457 -51.6799 136.886 -34.7432 120.728 -154.721 PRESSAVG: 3183600 -3.83813 16.337 -33.5844 16.337 10.6963 26.0391 -33.5842 26.0392 19.5782 GPRESSAVG: 3183600 -4.72594 19.4694 -34.5914 15.1816 9.48333 23.9992 -34.6481 28.1261 21.6431 TIMING: 3183600 CPU: 9483.5, 0.00300683/step Wall: 9483.5, 0.00300683/step, 1.51711 hours remaining, 205.863281 MB of memory in use. ENERGY: 3183600 745.1187 2111.5116 1922.5875 95.3133 -206283.2787 17652.2528 0.0000 0.0000 34215.2534 -149541.2414 298.8103 -183756.4948 -149445.6104 298.3453 -155.0092 -123.2368 556121.8998 8.8121 8.8002 PRESSURE: 3183800 -187.494 -49.9782 -104.959 -49.9785 134.719 71.1917 -104.958 71.1921 -119.395 GPRESSURE: 3183800 -138.513 -12.442 -52.5154 -85.1451 164.996 15.7127 -141.462 81.7074 -89.7894 PRESSAVG: 3183800 13.8606 17.0721 -1.43817 17.072 4.16354 -0.322724 -1.43811 -0.322645 -12.2194 GPRESSAVG: 3183800 14.2957 14.8296 -0.0328766 17.0366 5.01412 -1.49499 -1.11302 -0.28361 -13.3756 TIMING: 3183800 CPU: 9484.09, 0.00296746/step Wall: 9484.09, 0.00296746/step, 1.49709 hours remaining, 205.863281 MB of memory in use. ENERGY: 3183800 795.9099 2083.4731 1924.8423 103.1574 -206206.7431 17684.5960 0.0000 0.0000 34284.2336 -149330.5309 299.4127 -183614.7645 -149235.0939 298.5841 -57.3899 -21.1023 556588.1005 1.9349 1.9781 PRESSURE: 3184000 -117.505 5.02166 -136.821 5.02252 -103.452 -5.04528 -136.821 -5.04593 -140.278 GPRESSURE: 3184000 -88.1971 127.033 -79.9639 -5.67449 -80.1104 87.7623 -103.892 -162.758 -102.59 PRESSAVG: 3184000 -4.23866 -30.2983 -41.2571 -30.2983 6.64624 -5.597 -41.257 -5.597 11.8775 GPRESSAVG: 3184000 -3.85751 -29.5711 -40.157 -31.0528 7.05009 -3.40964 -41.4993 -5.92204 11.3242 TIMING: 3184000 CPU: 9484.68, 0.00295827/step Wall: 9484.68, 0.00295827/step, 1.49228 hours remaining, 205.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3184000 768.1625 2052.5304 1908.6197 111.5617 -206286.8870 17644.0799 0.0000 0.0000 34435.6505 -149366.2823 300.7351 -183801.9328 -149267.3643 299.4549 -120.4117 -90.2990 556040.2549 4.7617 4.8389 PRESSURE: 3184200 -263.332 109.704 -29.6968 109.704 -197.027 -99.5544 -29.6955 -99.555 -78.7236 GPRESSURE: 3184200 -246.243 117.118 18.1795 115.061 -165.152 -14.4806 -79.9733 -81.2672 -40.104 PRESSAVG: 3184200 -3.95556 21.0234 48.3893 21.0233 -17.2926 11.4401 48.3893 11.4402 22.3071 GPRESSAVG: 3184200 -4.9196 22.2329 48.4718 22.374 -17.4009 11.998 47.1466 10.2221 23.2942 TIMING: 3184200 CPU: 9485.27, 0.0029273/step Wall: 9485.27, 0.0029273/step, 1.4765 hours remaining, 205.863281 MB of memory in use. ENERGY: 3184200 783.5269 2119.3122 1914.6821 134.1512 -206131.2842 17568.5977 0.0000 0.0000 34395.1768 -149215.8371 300.3816 -183611.0140 -149120.1072 299.5397 -179.6943 -150.4999 556984.6246 0.3530 0.3246 LDB: ============= START OF LOAD BALANCING ============== 9488.81 LDB: ============== END OF LOAD BALANCING =============== 9488.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9488.81 LDB: ============= START OF LOAD BALANCING ============== 9489.11 LDB: Largest compute 4772 load 0.026397 is 22.3% of average load 0.118238 LDB: Average compute 0.001717 is 1.5% of average load 0.118238 LDB: TIME 9489.11 LOAD: AVG 0.118238 MAX 0.19516 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.047 MB LDB: TIME 9489.11 LOAD: AVG 0.118238 MAX 0.19516 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.047 MB LDB: TIME 9489.11 LOAD: AVG 0.118238 MAX 0.19516 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.047 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9489.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9489.11 PRESSURE: 3184400 -67.8769 -131.248 -190.539 -131.249 -23.1746 56.0739 -190.538 56.0728 -60.6293 GPRESSURE: 3184400 -5.79312 -128.655 -197.772 -107.168 41.5013 -1.47663 -329.088 97.1831 -74.4081 PRESSAVG: 3184400 14.8986 -27.5466 -33.2779 -27.5466 -18.0662 19.8299 -33.2779 19.8299 10.6195 GPRESSAVG: 3184400 15.3622 -28.3551 -33.8243 -29.0343 -18.4298 18.3564 -32.8289 22.2676 10.0013 TIMING: 3184400 CPU: 9485.86, 0.00298949/step Wall: 9485.86, 0.00298949/step, 1.5077 hours remaining, 206.535156 MB of memory in use. ENERGY: 3184400 763.0651 2095.0892 1907.0316 116.1498 -206512.3224 17907.9895 0.0000 0.0000 34273.1507 -149449.8464 299.3159 -183722.9971 -149353.0560 299.3705 -50.5603 -12.9000 556935.4484 2.4840 2.3112 PRESSURE: 3184600 -265.17 -5.34831 243.924 -5.34828 149.518 39.3428 243.924 39.3413 -134.896 GPRESSURE: 3184600 -215.309 8.35325 166.879 -98.0815 179.397 -46.5212 234.912 84.6368 -109.011 PRESSAVG: 3184600 64.6738 -43.2905 -16.3592 -43.2905 -18.8701 5.54684 -16.3591 5.547 -30.01 GPRESSAVG: 3184600 63.3457 -43.3452 -17.9553 -42.5847 -18.2684 4.49111 -15.2851 5.18051 -29.4267 TIMING: 3184600 CPU: 9486.45, 0.00293784/step Wall: 9486.45, 0.00293784/step, 1.48149 hours remaining, 206.535156 MB of memory in use. ENERGY: 3184600 743.7115 2067.1698 1893.2115 120.8012 -206034.0268 17632.2630 0.0000 0.0000 34242.8347 -149334.0349 299.0512 -183576.8696 -149238.3375 298.9409 -83.5157 -48.3078 556809.2857 5.2645 5.2169 PRESSURE: 3184800 -193.517 -55.8055 49.3253 -55.8051 -95.4002 15.8368 49.3267 15.8365 42.1288 GPRESSURE: 3184800 -120.294 -25.8447 136.325 -67.7202 -110.785 -87.8264 -11.9046 76.5911 86.492 PRESSAVG: 3184800 -16.7316 10.6813 38.6325 10.6813 10.0942 22.8811 38.6325 22.8812 49.6096 GPRESSAVG: 3184800 -16.3111 11.8965 40.8913 10.7108 9.45807 24.0465 38.0765 22.3222 50.0226 TIMING: 3184800 CPU: 9487.04, 0.0029228/step Wall: 9487.04, 0.0029228/step, 1.47374 hours remaining, 206.535156 MB of memory in use. ENERGY: 3184800 783.7521 2130.8436 1902.2164 103.5682 -206420.2122 17990.8263 0.0000 0.0000 34023.5572 -149485.4483 297.1362 -183509.0056 -149387.2263 299.2195 -82.2629 -48.1957 558385.4056 14.3241 14.3898 PRESSURE: 3185000 108.094 -22.313 -68.7694 -22.3133 -97.5335 -88.8532 -68.7694 -88.8525 -124.766 GPRESSURE: 3185000 64.4232 -3.01122 -76.1704 12.0094 -78.5651 -111.128 -105.211 -187.112 1.49624 PRESSAVG: 3185000 54.3425 -77.796 19.1678 -77.796 -46.031 21.0108 19.1678 21.0108 -42.6924 GPRESSAVG: 3185000 54.8688 -78.5517 18.0569 -78.7394 -45.6559 19.1722 20.6759 22.0846 -43.7656 TIMING: 3185000 CPU: 9487.62, 0.00291716/step Wall: 9487.62, 0.00291716/step, 1.47073 hours remaining, 206.535156 MB of memory in use. ENERGY: 3185000 770.7721 2068.3365 1951.1576 113.4290 -206414.5368 17800.4884 0.0000 0.0000 34326.1513 -149384.2020 299.7788 -183710.3532 -149288.4109 298.6913 -38.0684 -4.2152 557009.3519 -11.4603 -11.5176 PRESSURE: 3185200 102.77 91.553 67.6307 91.5533 -47.4557 44.9868 67.6312 44.9869 73.4186 GPRESSURE: 3185200 103.956 117.306 24.9695 60.4655 -20.3019 124.255 107.3 103.298 142.528 PRESSAVG: 3185200 89.4936 -51.1166 2.85794 -51.1166 -75.0825 15.6012 2.85792 15.6012 19.1311 GPRESSAVG: 3185200 88.8273 -50.9318 4.01549 -50.069 -74.4329 15.9241 1.74204 15.7015 19.3823 TIMING: 3185200 CPU: 9488.21, 0.00293871/step Wall: 9488.21, 0.00293871/step, 1.48144 hours remaining, 206.535156 MB of memory in use. ENERGY: 3185200 755.9499 2152.1050 1933.7741 117.7546 -206309.2284 17838.1624 0.0000 0.0000 34241.4501 -149270.0322 299.0391 -183511.4824 -149174.4395 299.2737 42.9110 75.3939 557307.5633 11.1807 11.2589 PRESSURE: 3185400 85.5014 44.8575 61.0279 44.8593 -93.3486 -15.2356 61.0291 -15.2359 -58.0879 GPRESSURE: 3185400 108.709 -12.1947 119.239 64.5039 -59.5909 14.1589 70.7766 -64.6747 -14.3411 PRESSAVG: 3185400 -3.76206 13.5069 28.4386 13.5068 -39.8264 28.5569 28.4387 28.5569 60.2474 GPRESSAVG: 3185400 -3.72628 13.5399 28.2629 12.5295 -40.2608 29.5606 29.4172 29.1215 61.0101 TIMING: 3185400 CPU: 9488.79, 0.00292128/step Wall: 9488.79, 0.00292128/step, 1.47249 hours remaining, 206.535156 MB of memory in use. ENERGY: 3185400 791.8689 2069.6059 1927.7231 121.0436 -206197.2012 17784.2439 0.0000 0.0000 34151.3766 -149351.3393 298.2525 -183502.7159 -149253.2308 299.2512 -21.9784 11.5923 557533.3814 5.5530 5.6743 PRESSURE: 3185600 -212.949 -112.343 -93.6489 -112.343 40.9893 264.461 -93.6489 264.462 -15.7333 GPRESSURE: 3185600 -137.018 -66.4635 -130.852 -66.0591 20.3967 333.1 -52.8827 129.97 27.9423 PRESSAVG: 3185600 -74.2996 14.7875 29.159 14.7875 58.9172 50.2125 29.159 50.2126 34.395 GPRESSAVG: 3185600 -73.5694 14.3877 30.2416 15.4381 57.9455 50.2275 28.4226 47.4958 34.5209 TIMING: 3185600 CPU: 9489.38, 0.00292268/step Wall: 9489.38, 0.00292268/step, 1.47303 hours remaining, 206.535156 MB of memory in use. ENERGY: 3185600 768.9729 2062.4160 1921.6551 115.3273 -206168.9057 17769.0307 0.0000 0.0000 34201.6693 -149329.8343 298.6917 -183531.5036 -149232.5727 299.0765 -62.5642 -29.5596 557371.7741 6.3376 6.2990 PRESSURE: 3185800 309.181 123.972 -73.0123 123.972 204.817 81.5545 -73.0124 81.5546 50.1503 GPRESSURE: 3185800 303.594 177.809 -4.28128 105.287 276.117 50.0265 -114.587 160.39 87.5888 PRESSAVG: 3185800 -50.5479 -18.0428 15.47 -18.0427 26.8873 -10.4041 15.47 -10.4043 -5.05647 GPRESSAVG: 3185800 -51.221 -16.7607 13.3001 -17.0122 27.5323 -9.41637 17.8511 -10.1174 -4.93606 TIMING: 3185800 CPU: 9489.97, 0.00294812/step Wall: 9489.97, 0.00294812/step, 1.48569 hours remaining, 206.535156 MB of memory in use. ENERGY: 3185800 769.2483 2071.5404 1941.9028 121.3598 -206894.2460 18333.7990 0.0000 0.0000 34323.7368 -149332.6588 299.7577 -183656.3956 -149232.7796 299.1255 188.0494 222.4331 557980.7728 -9.5724 -9.5416 PRESSURE: 3186000 30.7872 40.4141 45.6339 40.413 -133.599 -38.8397 45.633 -38.8424 -349.879 GPRESSURE: 3186000 56.6322 20.4983 55.2359 11.1296 -103.764 -37.889 50.3899 -55.7644 -293.806 PRESSAVG: 3186000 4.33152 38.277 61.7308 38.2769 -10.1289 -31.8445 61.7308 -31.8444 1.25348 GPRESSAVG: 3186000 4.5834 38.3434 63.1572 38.3334 -9.0673 -33.4998 60.0103 -30.0324 -0.0733336 TIMING: 3186000 CPU: 9490.55, 0.00290919/step Wall: 9490.55, 0.00290918/step, 1.46591 hours remaining, 206.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3186000 743.1625 2086.6735 1940.5834 123.5628 -205789.3512 17489.7691 0.0000 0.0000 34207.9295 -149197.6705 298.7464 -183405.6000 -149098.9913 298.5869 -150.8969 -113.6457 559434.2126 -1.5146 -1.5191 PRESSURE: 3186200 87.4777 45.2609 -52.7314 45.262 27.3313 -155.737 -52.731 -155.737 -232.239 GPRESSURE: 3186200 87.5266 -59.6755 -3.35955 127.357 48.3709 -189.319 -1.22039 -119.478 -150.275 PRESSAVG: 3186200 53.4465 -45.207 25.453 -45.207 -110.05 -23.866 25.453 -23.866 -12.7136 GPRESSAVG: 3186200 54.2574 -47.037 25.2664 -45.7886 -111.767 -24.2017 25.1992 -23.9447 -11.6855 TIMING: 3186200 CPU: 9491.13, 0.00291871/step Wall: 9491.13, 0.00291871/step, 1.47054 hours remaining, 206.535156 MB of memory in use. ENERGY: 3186200 730.5601 2032.4075 1937.8068 129.3463 -206213.1695 17869.7977 0.0000 0.0000 34253.9703 -149259.2808 299.1484 -183513.2511 -149161.1532 299.2712 -39.1432 -4.7925 559717.1129 -23.1058 -23.0649 PRESSURE: 3186400 -62.1851 38.7471 -30.1803 38.7483 -281.315 -38.2914 -30.1803 -38.2908 8.23767 GPRESSURE: 3186400 -29.9719 -22.6137 -51.3205 112.887 -249.373 -70.2066 8.01186 11.3801 29.0798 PRESSAVG: 3186400 12.5508 3.59637 -35.0349 3.59646 -13.7474 -24.8293 -35.0349 -24.8292 -1.49254 GPRESSAVG: 3186400 12.0086 5.32155 -34.8114 3.30754 -13.5401 -23.8909 -32.825 -24.961 -1.72433 TIMING: 3186400 CPU: 9491.72, 0.00293506/step Wall: 9491.72, 0.00293506/step, 1.47862 hours remaining, 206.535156 MB of memory in use. ENERGY: 3186400 728.6323 2049.8514 1933.2318 117.9434 -205969.9981 17656.8134 0.0000 0.0000 34274.6278 -149208.8980 299.3288 -183483.5258 -149111.5132 298.7362 -111.7542 -83.4217 558657.6190 -0.8964 -1.0853 PRESSURE: 3186600 -173.556 -3.16281 168.413 -3.16444 162.321 -15.1223 168.412 -15.1212 -117.382 GPRESSURE: 3186600 -142.107 -30.4857 149.316 17.7515 193.899 -19.6981 217.874 -53.012 -88.9949 PRESSAVG: 3186600 -14.65 -29.8314 -61.3357 -29.8313 27.1405 33.5725 -61.3357 33.5725 -5.52756 GPRESSAVG: 3186600 -14.5511 -30.3123 -60.8713 -29.4989 26.8858 33.5443 -62.8912 33.1412 -5.78502 TIMING: 3186600 CPU: 9492.3, 0.0029247/step Wall: 9492.3, 0.0029247/step, 1.47323 hours remaining, 206.535156 MB of memory in use. ENERGY: 3186600 737.4881 2082.3788 1947.5222 111.6088 -206063.3484 17702.7356 0.0000 0.0000 34327.0263 -149154.5886 299.7865 -183481.6148 -149060.7809 299.9650 -42.8724 -12.4010 558436.0350 2.3210 2.1832 PRESSURE: 3186800 -97.8383 99.5846 185.47 99.5839 -48.2281 -39.0084 185.47 -39.008 -116.149 GPRESSURE: 3186800 -18.2396 93.9164 132.197 184.414 -37.8777 -21.0851 237.844 -1.16814 -110.017 PRESSAVG: 3186800 41.187 24.9719 -21.2899 24.972 -10.0951 -30.0293 -21.2898 -30.0292 -21.3448 GPRESSAVG: 3186800 41.0619 23.969 -20.2798 25.524 -9.46024 -30.4037 -21.287 -28.2798 -21.3725 TIMING: 3186800 CPU: 9492.89, 0.00295729/step Wall: 9492.89, 0.00295729/step, 1.48949 hours remaining, 206.535156 MB of memory in use. ENERGY: 3186800 743.6742 2040.1901 1944.8088 106.2645 -206374.7401 17971.4750 0.0000 0.0000 34433.8723 -149134.4552 300.7196 -183568.3275 -149036.9965 299.8792 -87.4050 -55.3783 559963.0795 3.2491 3.4097 PRESSURE: 3187000 294.185 -24.8387 50.8399 -24.8396 264.644 -101.092 50.8404 -101.092 173.245 GPRESSURE: 3187000 334.581 4.09651 -12.5163 -41.1965 297.946 -90.5797 20.3245 -172.938 197.972 PRESSAVG: 3187000 11.4855 11.0286 0.570383 11.0286 -22.9263 31.125 0.570379 31.1251 -1.25506 GPRESSAVG: 3187000 10.6296 11.7911 -1.02389 9.73968 -22.576 32.6945 -0.723263 28.2624 0.0126031 TIMING: 3187000 CPU: 9493.49, 0.00295621/step Wall: 9493.49, 0.00295621/step, 1.48878 hours remaining, 206.535156 MB of memory in use. ENERGY: 3187000 733.1265 2070.8221 1949.4626 118.5823 -206731.5038 18347.8195 0.0000 0.0000 34322.7823 -149188.9086 299.7494 -183511.6909 -149096.2518 299.0999 244.0251 276.8329 556990.1264 -4.2319 -3.9780 PRESSURE: 3187200 -218.291 324.802 14.917 324.801 -101.459 -139.76 14.9165 -139.759 117.477 GPRESSURE: 3187200 -157.06 309.236 29.5827 316.99 -96.3965 -169.88 -24.3502 -63.5305 147.783 PRESSAVG: 3187200 48.1329 61.5466 3.59769 61.5465 -66.7644 -52.0842 3.59766 -52.0842 21.7295 GPRESSAVG: 3187200 50.2388 60.2951 4.85597 62.3715 -66.8805 -53.4392 3.44024 -51.1935 20.4808 TIMING: 3187200 CPU: 9494.08, 0.00295123/step Wall: 9494.08, 0.00295123/step, 1.48611 hours remaining, 206.535156 MB of memory in use. ENERGY: 3187200 772.3616 2036.7298 1924.9078 112.3286 -206324.6538 18030.9047 0.0000 0.0000 34260.1241 -149187.2971 299.2022 -183447.4213 -149097.9039 299.2888 -67.4243 -35.2244 559139.6847 1.0327 1.2797 PRESSURE: 3187400 -204.394 73.8002 -120.652 73.8 -28.8677 -65.6035 -120.652 -65.6053 -301.452 GPRESSURE: 3187400 -212.425 85.9 -151.769 -1.38469 -13.5734 -144.448 -149.509 -59.8357 -213.018 PRESSAVG: 3187400 -6.4157 48.4586 10.1721 48.4586 0.313478 29.0546 10.172 29.0546 27.0776 GPRESSAVG: 3187400 -6.23369 48.9328 11.0125 48.5195 -0.360384 28.1659 12.193 30.3403 27.8892 TIMING: 3187400 CPU: 9494.67, 0.00295171/step Wall: 9494.67, 0.00295171/step, 1.48619 hours remaining, 206.535156 MB of memory in use. ENERGY: 3187400 747.5385 2127.2674 1916.8822 109.0693 -206005.5529 17573.3546 0.0000 0.0000 34162.5724 -149368.8684 298.3502 -183531.4408 -149276.7313 299.3067 -178.2379 -146.3389 559940.7586 6.9918 7.0984 PRESSURE: 3187600 -53.6987 55.359 -136.634 55.3586 -193.425 -50.0785 -136.635 -50.0783 -127.471 GPRESSURE: 3187600 -21.1997 136.005 -165.937 45.0621 -144.516 -19.9202 -50.4771 -66.8597 -120.052 PRESSAVG: 3187600 28.4518 58.6225 -40.5592 58.6224 -3.77783 7.24128 -40.5591 7.24137 -11.9942 GPRESSAVG: 3187600 28.0123 58.8449 -42.0578 58.7603 -3.24418 10.3646 -38.6839 5.80213 -12.1554 TIMING: 3187600 CPU: 9495.26, 0.00296191/step Wall: 9495.26, 0.00296191/step, 1.49116 hours remaining, 206.535156 MB of memory in use. ENERGY: 3187600 768.4819 2090.7493 1915.9077 105.7844 -206125.8011 17559.1469 0.0000 0.0000 34366.9857 -149318.7452 300.1354 -183685.7309 -149218.8130 299.1493 -124.8647 -95.2559 557646.8132 4.2266 4.2043 PRESSURE: 3187800 44.9646 -12.8143 1.67241 -12.815 82.2339 -253.438 1.67182 -253.438 125.002 GPRESSURE: 3187800 100.264 27.5835 72.4572 -5.41229 101.75 -275.161 12.9968 -324.08 168.722 PRESSAVG: 3187800 28.0674 42.0887 -60.4162 42.0887 -23.5252 -0.736426 -60.4162 -0.736333 -62.0783 GPRESSAVG: 3187800 28.3753 42.7953 -60.4548 39.6232 -23.1617 -0.127206 -62.2285 -0.698005 -62.2861 TIMING: 3187800 CPU: 9495.85, 0.00296064/step Wall: 9495.85, 0.00296064/step, 1.49035 hours remaining, 206.535156 MB of memory in use. ENERGY: 3187800 734.0526 2077.6388 1901.7056 112.2541 -206168.0478 17978.5177 0.0000 0.0000 34260.3626 -149103.5164 299.2043 -183363.8789 -149002.1591 299.5866 84.0670 123.5783 558243.9708 -19.1787 -19.0242 PRESSURE: 3188000 145.543 20.6566 -39.3283 20.6568 -47.0478 -79.3531 -39.3287 -79.3523 -53.7458 GPRESSURE: 3188000 205.602 -23.7899 -49.7159 112.545 -73.6267 -159.181 -23.0727 -36.419 14.5044 PRESSAVG: 3188000 -32.8369 52.4708 -42.0095 52.4708 45.8295 -68.1082 -42.0096 -68.1081 -66.0676 GPRESSAVG: 3188000 -32.2771 52.1383 -40.8416 53.8481 45.1712 -69.6077 -44.4682 -66.831 -65.9634 TIMING: 3188000 CPU: 9496.44, 0.00296596/step Wall: 9496.44, 0.00296596/step, 1.49287 hours remaining, 206.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3188000 785.2820 2071.1239 1962.9711 118.6614 -206484.5691 17899.1326 0.0000 0.0000 34487.3608 -149160.0372 301.1867 -183647.3980 -149068.5927 299.2206 14.9165 48.8268 556977.1318 -17.6917 -17.6898 PRESSURE: 3188200 4.44539 -105.418 150.906 -105.417 72.1524 189.732 150.907 189.732 200.285 GPRESSURE: 3188200 64.4394 -111.711 147.092 -72.0745 117.053 166.813 172.394 148.988 195.181 PRESSAVG: 3188200 -99.7945 28.1004 27.564 28.1003 52.3507 2.16839 27.564 2.16834 28.468 GPRESSAVG: 3188200 -101.126 27.778 27.7728 29.047 54.1376 2.58023 30.0519 0.194415 28.1746 TIMING: 3188200 CPU: 9497.03, 0.00293274/step Wall: 9497.03, 0.00293274/step, 1.47598 hours remaining, 206.535156 MB of memory in use. ENERGY: 3188200 738.2156 2114.9017 1912.3744 112.9315 -206317.1065 18132.8628 0.0000 0.0000 34176.2685 -149129.5520 298.4699 -183305.8205 -149031.7801 299.6644 92.2943 125.5577 558498.3090 -6.3252 -6.2713 LDB: ============= START OF LOAD BALANCING ============== 9500.58 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9500.58 LDB: =============== DONE WITH MIGRATION ================ 9500.58 LDB: ============= START OF LOAD BALANCING ============== 9500.87 LDB: Largest compute 4772 load 0.027250 is 23.0% of average load 0.118302 LDB: Average compute 0.001721 is 1.5% of average load 0.118302 LDB: TIME 9500.88 LOAD: AVG 0.118302 MAX 0.197253 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.078 MB LDB: TIME 9500.88 LOAD: AVG 0.118302 MAX 0.197253 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.277 MB LDB: TIME 9500.88 LOAD: AVG 0.118302 MAX 0.197253 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.277 MB LDB: ============== END OF LOAD BALANCING =============== 9500.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9500.88 PRESSURE: 3188400 -220.798 28.8979 -197.834 28.8966 -384.005 74.0431 -197.833 74.0409 -493.499 GPRESSURE: 3188400 -180.247 32.1388 -218.851 81.0947 -364.894 109.679 -153.788 -9.21646 -455.027 PRESSAVG: 3188400 -23.6088 43.4758 -22.2327 43.4758 0.508261 25.0031 -22.2327 25.0032 32.2159 GPRESSAVG: 3188400 -23.2353 44.9606 -22.6432 41.5073 -0.400174 25.12 -21.8965 27.1328 32.9107 TIMING: 3188400 CPU: 9497.63, 0.00300444/step Wall: 9497.63, 0.00300444/step, 1.5119 hours remaining, 207.250000 MB of memory in use. ENERGY: 3188400 808.0152 2120.7293 1938.4027 99.2496 -205379.6520 17230.8003 0.0000 0.0000 34098.9330 -149083.5220 297.7945 -183182.4550 -148991.4467 298.7644 -366.1006 -333.3890 559622.1790 3.0385 3.0918 PRESSURE: 3188600 -194.845 22.875 22.3605 22.8752 134.351 29.6917 22.3603 29.6907 71.557 GPRESSURE: 3188600 -168.394 32.531 12.6779 -22.6236 185.175 28.8473 -5.46423 -50.6193 97.7545 PRESSAVG: 3188600 -26.0794 -22.9703 -8.99711 -22.9704 43.8917 13.7427 -8.99712 13.7427 6.97816 GPRESSAVG: 3188600 -25.1502 -23.0105 -9.12411 -22.8621 43.6027 11.5928 -9.14879 15.642 6.92291 TIMING: 3188600 CPU: 9498.22, 0.00294743/step Wall: 9498.22, 0.00294743/step, 1.48305 hours remaining, 207.250000 MB of memory in use. ENERGY: 3188600 769.9126 2060.2878 1962.0632 113.4657 -205728.5893 17748.8661 0.0000 0.0000 34322.7083 -148751.2856 299.7487 -183073.9939 -148654.5476 300.3140 3.6878 38.1785 557910.8642 8.2635 8.4585 PRESSURE: 3188800 -135.432 6.08554 126.249 6.08583 -400.865 -52.7129 126.248 -52.714 -175.432 GPRESSURE: 3188800 -102.618 90.9575 48.2329 -67.083 -386.25 -117.608 226.432 -44.536 -143.037 PRESSAVG: 3188800 4.99719 -0.525754 -36.5489 -0.525703 -15.7329 21.7039 -36.5489 21.7039 -44.9843 GPRESSAVG: 3188800 4.83443 -1.30465 -36.6923 -0.470335 -15.6106 22.8367 -38.7408 19.3509 -44.7329 TIMING: 3188800 CPU: 9498.81, 0.00293223/step Wall: 9498.81, 0.00293223/step, 1.47524 hours remaining, 207.250000 MB of memory in use. ENERGY: 3188800 779.2712 2121.5936 1946.8229 125.4701 -205521.2804 17458.6626 0.0000 0.0000 34224.8435 -148864.6164 298.8941 -183089.4599 -148773.3103 299.7150 -237.2429 -210.6352 559092.1341 -18.5733 -18.5030 PRESSURE: 3189000 -159.378 -32.3396 -116.555 -32.3397 -120.979 -206.164 -116.555 -206.165 -290.081 GPRESSURE: 3189000 -94.3099 -132.982 -135.004 48.5163 -114.229 -131.283 39.8422 -228.266 -259.718 PRESSAVG: 3189000 50.1857 21.8017 39.9544 21.8017 5.75276 47.799 39.9544 47.799 -55.0059 GPRESSAVG: 3189000 49.4615 21.9284 41.2677 20.7964 6.36765 48.1098 40.8387 50.1592 -55.2622 TIMING: 3189000 CPU: 9499.4, 0.00293667/step Wall: 9499.4, 0.00293667/step, 1.47731 hours remaining, 207.285156 MB of memory in use. ENERGY: 3189000 761.5223 2093.5238 1939.5184 123.9023 -205591.2640 17478.6517 0.0000 0.0000 34208.9091 -148985.2365 298.7549 -183194.1456 -148881.7698 299.9105 -190.1458 -156.0856 559233.0345 0.3109 0.1890 PRESSURE: 3189200 467.082 48.8207 11.8726 48.82 99.991 -44.5401 11.8727 -44.5405 -101.407 GPRESSURE: 3189200 493.268 85.0433 49.6833 41.8629 166.992 -26.5458 -14.1951 -12.5631 -99.1039 PRESSAVG: 3189200 15.5969 21.8782 19.0789 21.8782 -13.1668 3.87679 19.0789 3.87683 33.1868 GPRESSAVG: 3189200 15.2871 24.1737 18.3999 22.9644 -13.8139 3.38905 17.3478 1.77596 34.7715 TIMING: 3189200 CPU: 9499.98, 0.00294021/step Wall: 9499.98, 0.00294021/step, 1.47893 hours remaining, 207.285156 MB of memory in use. ENERGY: 3189200 748.1080 2103.8043 1943.1092 118.5268 -206347.6372 18043.2784 0.0000 0.0000 34303.0334 -149087.7770 299.5769 -183390.8104 -148984.8250 299.8227 155.2221 187.0518 557931.7151 11.8723 12.0816 PRESSURE: 3189400 70.7199 -84.3655 -175.327 -84.3663 -41.0959 -34.049 -175.328 -34.0469 -39.4701 GPRESSURE: 3189400 87.5998 -137.204 -178.558 -54.0568 -44.8797 53.6615 -108.922 -75.2546 45.4657 PRESSAVG: 3189400 61.4642 10.1185 42.421 10.1184 35.7436 15.3399 42.421 15.3399 -87.8024 GPRESSAVG: 3189400 61.7239 7.21027 43.3255 9.7052 36.7805 14.1861 43.7287 15.8885 -88.8139 TIMING: 3189400 CPU: 9500.57, 0.00292632/step Wall: 9500.57, 0.00292632/step, 1.47178 hours remaining, 207.285156 MB of memory in use. ENERGY: 3189400 747.8641 2045.7582 1916.0564 118.0811 -206058.0230 17757.0520 0.0000 0.0000 34404.0493 -149069.1619 300.4591 -183473.2112 -148976.9554 299.2236 -3.2820 29.3953 556839.1791 3.1351 3.2302 PRESSURE: 3189600 -228.737 -20.1749 136.84 -20.176 98.3158 -17.8397 136.838 -17.8397 -139.059 GPRESSURE: 3189600 -226.294 31.684 39.5722 -47.7492 168.374 -81.6155 152.413 -79.4691 -124.76 PRESSAVG: 3189600 62.8385 -49.9398 -8.03183 -49.9398 1.63826 7.3514 -8.03175 7.35135 -13.5194 GPRESSAVG: 3189600 62.8356 -49.3926 -10.5976 -48.6682 1.51155 7.33106 -7.42891 6.99267 -14.1929 TIMING: 3189600 CPU: 9501.16, 0.00294144/step Wall: 9501.16, 0.00294144/step, 1.47922 hours remaining, 207.542969 MB of memory in use. ENERGY: 3189600 767.1261 2084.4597 1919.8766 104.0686 -205785.4913 17500.6698 0.0000 0.0000 34324.5186 -149084.7719 299.7646 -183409.2905 -148996.1282 299.5485 -89.8267 -60.8930 558519.3580 16.9858 16.7181 PRESSURE: 3189800 -259.365 -192.778 -70.0711 -192.779 -239.181 71.903 -70.0723 71.902 -12.0595 GPRESSURE: 3189800 -264.33 -149.337 -131.56 -258.662 -166.991 39.2318 -3.47478 64.2749 15.4657 PRESSAVG: 3189800 -61.6769 -28.118 -10.0329 -28.1181 18.5722 -41.1654 -10.0329 -41.1653 71.4898 GPRESSAVG: 3189800 -61.3712 -27.9876 -11.6847 -28.5168 18.8605 -42.4543 -8.71194 -40.4397 71.1439 TIMING: 3189800 CPU: 9501.74, 0.00292115/step Wall: 9501.74, 0.00292115/step, 1.46885 hours remaining, 207.542969 MB of memory in use. ENERGY: 3189800 745.9826 2098.4870 1923.9602 113.8415 -205994.0188 17576.1009 0.0000 0.0000 34431.2294 -149104.4171 300.6965 -183535.6466 -148996.5973 299.7659 -170.2018 -138.6185 557191.3052 9.4617 9.5444 PRESSURE: 3190000 125.595 -93.1624 -58.7634 -93.1618 -235.115 -43.4032 -58.7637 -43.4037 -319.277 GPRESSURE: 3190000 209.944 -64.0484 -110.465 -180.201 -239.733 -69.0118 10.7136 -49.2115 -301.716 PRESSAVG: 3190000 11.7389 10.2875 49.6368 10.2875 -30.5122 -16.8619 49.6369 -16.862 18.8998 GPRESSAVG: 3190000 11.8274 9.5768 51.5414 11.768 -30.2784 -17.1459 47.8284 -16.1273 18.9356 TIMING: 3190000 CPU: 9502.33, 0.0029567/step Wall: 9502.33, 0.0029567/step, 1.48656 hours remaining, 207.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3190000 751.5991 2070.9939 1924.1619 110.2626 -205542.2755 17424.6145 0.0000 0.0000 34296.0041 -148964.6394 299.5155 -183260.6435 -148864.8998 299.8399 -142.9322 -110.5016 557475.2751 0.0422 0.1615 PRESSURE: 3190200 10.7522 21.9732 15.9246 21.9739 -39.2889 -77.1048 15.9257 -77.1044 150.706 GPRESSURE: 3190200 74.8275 -23.9283 70.9782 28.9276 -43.3177 30.7853 22.9018 -82.1298 187.26 PRESSAVG: 3190200 -63.2368 -9.33354 9.06153 -9.33355 -57.3328 -16.7244 9.06153 -16.7244 115.129 GPRESSAVG: 3190200 -63.8188 -7.68598 7.90631 -11.0908 -56.6995 -14.7108 9.6644 -18.3177 114.783 TIMING: 3190200 CPU: 9502.92, 0.00293754/step Wall: 9502.92, 0.00293754/step, 1.47677 hours remaining, 207.542969 MB of memory in use. ENERGY: 3190200 710.0200 2045.5078 1929.6873 115.0738 -206352.8254 17955.9667 0.0000 0.0000 34628.6112 -148967.9586 302.4203 -183596.5698 -148862.2027 299.9730 40.7231 72.9233 556005.2978 -1.8136 -1.9117 PRESSURE: 3190400 -51.4081 -11.869 -3.69742 -11.8701 170.505 -67.2838 -3.69777 -67.2842 206.312 GPRESSURE: 3190400 -12.9322 47.7123 -14.8106 17.6189 205.772 -69.4433 18.4118 -97.2765 237.745 PRESSAVG: 3190400 -22.9531 33.5579 -7.33982 33.558 44.3916 -45.4889 -7.33975 -45.4889 10.6557 GPRESSAVG: 3190400 -22.1968 33.0616 -6.87058 32.0567 43.5724 -47.356 -7.38362 -43.3245 10.8184 TIMING: 3190400 CPU: 9503.5, 0.00292372/step Wall: 9503.5, 0.00292372/step, 1.46966 hours remaining, 207.542969 MB of memory in use. ENERGY: 3190400 774.0392 2130.7225 1921.9815 113.2913 -206148.6865 17912.0060 0.0000 0.0000 34515.1439 -148781.5021 301.4293 -183296.6460 -148683.8195 300.4538 108.4694 143.5283 556709.3159 10.6981 10.7313 PRESSURE: 3190600 -280.082 66.2198 -46.9789 66.2186 74.8536 16.1597 -46.9786 16.1588 7.66837 GPRESSURE: 3190600 -184.968 -12.4825 72.5022 153.047 25.0046 101.01 -107.87 89.7138 65.109 PRESSAVG: 3190600 42.4103 -10.3199 26.3812 -10.3199 1.10423 -14.204 26.3813 -14.204 0.920879 GPRESSAVG: 3190600 43.378 -10.9642 24.985 -9.40891 1.06806 -13.6805 26.9056 -16.4576 0.454571 TIMING: 3190600 CPU: 9504.09, 0.00291314/step Wall: 9504.09, 0.00291314/step, 1.46418 hours remaining, 207.542969 MB of memory in use. ENERGY: 3190600 755.7571 2065.2970 1910.6237 111.3779 -205729.5853 17648.5115 0.0000 0.0000 34466.6154 -148771.4028 301.0055 -183238.0182 -148675.4114 300.7299 -65.8533 -31.6182 557672.5057 14.8118 14.9669 PRESSURE: 3190800 -215.26 -2.40199 -102.464 -2.40296 -40.2339 35.7767 -102.463 35.7778 -258.361 GPRESSURE: 3190800 -143.567 -21.668 -99.6104 -38.3156 0.78347 163.287 -144.435 -5.39579 -277.201 PRESSAVG: 3190800 -9.51115 57.1469 -41.6146 57.1469 33.6715 -15.6135 -41.6146 -15.6134 -15.8864 GPRESSAVG: 3190800 -10.5483 58.4991 -39.8828 57.0035 33.9714 -16.5556 -42.4765 -13.9053 -14.624 TIMING: 3190800 CPU: 9504.67, 0.00293027/step Wall: 9504.67, 0.00293027/step, 1.47262 hours remaining, 207.542969 MB of memory in use. ENERGY: 3190800 770.6571 2079.5814 1929.7583 115.9634 -205713.2237 17615.7458 0.0000 0.0000 34327.4092 -148874.1083 299.7898 -183201.5175 -148780.1077 300.9108 -171.2848 -139.9948 559919.4345 2.7580 2.9331 PRESSURE: 3191000 96.4155 -3.50317 53.0444 -3.50485 -413.05 1.78098 53.0436 1.78023 -230.122 GPRESSURE: 3191000 98.1037 -8.20805 50.5721 85.588 -409.928 -28.8286 1.87411 44.9384 -144.644 PRESSAVG: 3191000 -60.1702 24.5566 -32.2991 24.5567 46.4002 24.6578 -32.299 24.6578 18.753 GPRESSAVG: 3191000 -60.4627 23.189 -32.0455 24.0942 45.3125 24.8606 -31.6627 23.6231 19.6436 TIMING: 3191000 CPU: 9505.26, 0.00292223/step Wall: 9505.26, 0.00292223/step, 1.46842 hours remaining, 207.542969 MB of memory in use. ENERGY: 3191000 781.0162 2093.8054 1914.3123 121.0996 -205793.2965 17550.6646 0.0000 0.0000 34389.3790 -148943.0195 300.3310 -183332.3984 -148836.7594 300.0550 -182.2521 -152.1561 557702.9747 1.6610 1.4978 PRESSURE: 3191200 -484.232 34.0258 -106.611 34.0253 56.5431 12.9926 -106.611 12.9926 -178.336 GPRESSURE: 3191200 -409.861 -64.6937 -53.6029 50.8478 58.3387 -44.2754 -130.046 -1.45528 -143.87 PRESSAVG: 3191200 2.67824 26.4805 8.05366 26.4805 2.54651 -14.6325 8.0537 -14.6327 11.8798 GPRESSAVG: 3191200 4.22325 27.3923 9.74944 25.3119 2.04265 -14.2215 6.30238 -14.3676 11.0506 TIMING: 3191200 CPU: 9505.85, 0.00295019/step Wall: 9505.85, 0.00295019/step, 1.48231 hours remaining, 207.542969 MB of memory in use. ENERGY: 3191200 733.7776 2125.8291 1940.2723 112.2500 -205534.4555 17439.0402 0.0000 0.0000 34402.3307 -148780.9556 300.4441 -183183.2863 -148680.9256 300.3979 -202.0082 -165.1309 557684.0608 5.7015 5.7722 PRESSURE: 3191400 -39.3621 -45.1088 166.781 -45.1093 23.0273 -96.5306 166.78 -96.53 -26.5383 GPRESSURE: 3191400 10.3835 -89.666 160.109 -179.262 58.0378 -79.3332 204.24 -19.9073 5.07109 PRESSAVG: 3191400 -64.0873 -4.07267 9.95026 -4.07269 85.6723 -0.52982 9.95022 -0.529839 -38.0606 GPRESSAVG: 3191400 -65.2891 -3.5533 10.8132 -4.61057 86.9772 -0.915693 10.1656 -1.07607 -38.5233 TIMING: 3191400 CPU: 9506.44, 0.00295803/step Wall: 9506.44, 0.00295803/step, 1.48608 hours remaining, 207.542969 MB of memory in use. ENERGY: 3191400 735.3626 2141.8030 1945.2750 112.4750 -205788.6510 17797.4769 0.0000 0.0000 34320.3933 -148735.8650 299.7285 -183056.2584 -148639.8228 300.5175 -14.2910 24.4975 558679.3251 -5.4919 -5.6117 PRESSURE: 3191600 -83.6081 180.654 -117.707 180.654 6.8746 117.849 -117.706 117.849 175.608 GPRESSURE: 3191600 -21.1846 140.46 -113.794 192.473 51.7272 98.0065 -69.6884 149.72 157.917 PRESSAVG: 3191600 -10.6611 47.9353 -20.2309 47.9353 79.6841 -27.1393 -20.2309 -27.1393 -1.91325 GPRESSAVG: 3191600 -10.1859 46.3994 -23.4797 48.2011 79.6287 -26.9255 -19.0958 -28.0911 -3.24043 TIMING: 3191600 CPU: 9507.03, 0.00295327/step Wall: 9507.03, 0.00295327/step, 1.48353 hours remaining, 207.542969 MB of memory in use. ENERGY: 3191600 745.7215 2125.6198 1938.8126 115.4182 -205947.0123 17945.0616 0.0000 0.0000 34346.9700 -148729.4086 299.9606 -183076.3786 -148634.4794 300.7039 32.9582 62.8200 558490.3748 22.3699 22.0675 PRESSURE: 3191800 -199.287 86.9862 116.955 86.9864 70.2831 -110.294 116.957 -110.295 -110.022 GPRESSURE: 3191800 -104.9 173.211 153.394 32.2829 68.8561 -145.737 97.3057 -26.8307 -116.406 PRESSAVG: 3191800 -19.1911 44.6139 43.293 44.6139 55.3086 -9.66805 43.2931 -9.66803 -3.1653 GPRESSAVG: 3191800 -19.3185 45.813 44.5517 43.0203 54.7515 -10.3857 42.0638 -8.06402 -2.567 TIMING: 3191800 CPU: 9507.63, 0.00297527/step Wall: 9507.63, 0.00297527/step, 1.49441 hours remaining, 207.542969 MB of memory in use. ENERGY: 3191800 720.5876 2118.5960 1955.6578 119.7957 -205764.8820 17639.0140 0.0000 0.0000 34439.7054 -148771.5256 300.7705 -183211.2309 -148665.3176 300.5001 -79.6754 -50.8168 558002.0624 10.9841 10.9553 PRESSURE: 3192000 -42.5979 -72.2565 -84.866 -72.2564 -282.727 -54.6114 -84.8667 -54.6113 -365.459 GPRESSURE: 3192000 36.2772 68.5257 -131.773 -169.528 -247.271 -23.3858 -43.6878 -19.3613 -372.127 PRESSAVG: 3192000 40.2275 18.7172 19.2514 18.7172 8.72529 -22.0125 19.2514 -22.0124 -14.827 GPRESSAVG: 3192000 39.6808 18.3225 20.5756 21.598 9.31099 -21.1691 20.8499 -22.115 -14.5376 TIMING: 3192000 CPU: 9508.22, 0.0029574/step Wall: 9508.22, 0.0029574/step, 1.48527 hours remaining, 207.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3192000 742.3806 2086.0814 1950.5077 118.5774 -205462.8875 17467.0037 0.0000 0.0000 34265.9023 -148832.4344 299.2526 -183098.3367 -148737.8078 301.0577 -230.2612 -194.3737 559909.5134 11.3753 11.4847 PRESSURE: 3192200 -105.632 77.1253 149.781 77.1249 32.9633 -43.6513 149.782 -43.6523 125.903 GPRESSURE: 3192200 -105.086 42.3343 231.836 20.9256 80.3621 -29.3273 60.2209 33.4798 178.551 PRESSAVG: 3192200 25.195 46.2466 -3.60631 46.2466 -66.6519 -22.1557 -3.60637 -22.1556 36.5041 GPRESSAVG: 3192200 25.3591 46.1768 -2.3958 43.6895 -66.4464 -21.595 -4.58568 -22.1383 36.4904 TIMING: 3192200 CPU: 9508.81, 0.00295525/step Wall: 9508.81, 0.00295525/step, 1.48403 hours remaining, 207.554688 MB of memory in use. ENERGY: 3192200 739.7237 2076.8321 1937.2283 110.1570 -205850.2558 17746.2554 0.0000 0.0000 34467.9640 -148772.0953 301.0173 -183240.0593 -148676.2758 301.0556 17.7448 51.2758 558853.0193 -1.6509 -1.5323 LDB: ============= START OF LOAD BALANCING ============== 9512.35 LDB: ============== END OF LOAD BALANCING =============== 9512.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9512.35 LDB: ============= START OF LOAD BALANCING ============== 9512.65 LDB: Largest compute 4772 load 0.029566 is 25.0% of average load 0.118223 LDB: Average compute 0.001727 is 1.5% of average load 0.118223 LDB: TIME 9512.65 LOAD: AVG 0.118223 MAX 0.196742 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 9512.65 LOAD: AVG 0.118223 MAX 0.196742 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.289 MB LDB: TIME 9512.65 LOAD: AVG 0.118223 MAX 0.196742 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.289 MB LDB: ============== END OF LOAD BALANCING =============== 9512.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9512.66 PRESSURE: 3192400 68.9487 -113.236 238.141 -113.235 217.01 -66.7145 238.14 -66.7147 -301.558 GPRESSURE: 3192400 63.8302 -75.9747 239.526 -151.926 240.474 -56.1537 181.898 -36.394 -227.339 PRESSAVG: 3192400 -42.6321 -2.86646 -22.813 -2.86645 -17.355 0.716186 -22.813 0.716191 64.1884 GPRESSAVG: 3192400 -41.317 -3.75492 -23.5922 -1.75093 -19.0834 -1.08516 -22.3032 -0.809572 64.9917 TIMING: 3192400 CPU: 9509.41, 0.00298976/step Wall: 9509.41, 0.00298976/step, 1.50119 hours remaining, 208.019531 MB of memory in use. ENERGY: 3192400 760.0635 2101.7229 1957.2940 115.8358 -205946.4379 17724.9100 0.0000 0.0000 34220.5996 -149066.0121 298.8570 -183286.6117 -148962.8624 300.4818 -5.1998 25.6552 556616.9516 1.4004 1.5305 PRESSURE: 3192600 -76.1651 9.42395 6.17982 9.42345 77.1085 -7.5779 6.18048 -7.5764 31.8034 GPRESSURE: 3192600 -97.5352 -39.153 4.99593 35.4211 128.243 5.36184 59.3354 87.122 112.872 PRESSAVG: 3192600 4.22567 35.9844 18.8639 35.9845 28.6683 80.3997 18.8638 80.3998 16.747 GPRESSAVG: 3192600 2.78809 35.9618 18.6742 37.9964 29.6364 80.539 19.6535 82.8132 16.8192 TIMING: 3192600 CPU: 9510, 0.00294861/step Wall: 9510, 0.00294861/step, 1.48037 hours remaining, 208.019531 MB of memory in use. ENERGY: 3192600 735.5914 2125.5826 1953.7773 116.5184 -206229.8402 17916.6315 0.0000 0.0000 34465.7677 -148915.9713 300.9981 -183381.7390 -148823.6253 299.9507 10.9156 47.8598 558187.8670 16.5470 16.4146 PRESSURE: 3192800 -46.1327 -109.34 -121.1 -109.34 19.1749 239.908 -121.099 239.91 155.82 GPRESSURE: 3192800 -52.3139 -103.481 -88.4845 10.9285 129.112 185.203 -63.7392 285.86 153.415 PRESSAVG: 3192800 9.34036 23.1287 -33.5423 23.1286 -6.83575 50.0177 -33.5424 50.0177 -26.9898 GPRESSAVG: 3192800 8.73102 24.9105 -32.5802 21.7589 -6.71547 50.4928 -35.1675 49.5591 -27.2158 TIMING: 3192800 CPU: 9510.58, 0.00291769/step Wall: 9510.58, 0.00291769/step, 1.46468 hours remaining, 208.019531 MB of memory in use. ENERGY: 3192800 756.2884 1978.1930 1940.9429 117.5224 -206233.9414 17988.0647 0.0000 0.0000 34525.5337 -148927.3963 301.5201 -183452.9299 -148829.5062 300.3524 42.9542 76.7378 558215.4119 -8.1617 -8.4001 PRESSURE: 3193000 -74.4385 130.907 110.405 130.907 -244.517 -46.7536 110.405 -46.7548 -96.3234 GPRESSURE: 3193000 -44.0597 167.417 224.327 108.242 -191.32 32.132 35.0886 -107.455 -72.7475 PRESSAVG: 3193000 15.3178 25.6295 0.0332447 25.6295 -4.62024 50.9992 0.0332679 50.9993 -19.3563 GPRESSAVG: 3193000 16.676 25.0269 0.63129 26.7433 -5.7419 51.5653 0.998555 49.4077 -19.3211 TIMING: 3193000 CPU: 9511.17, 0.00294845/step Wall: 9511.17, 0.00294845/step, 1.47996 hours remaining, 208.019531 MB of memory in use. ENERGY: 3193000 742.1165 1992.3648 1942.1781 115.8091 -205839.5923 17659.7990 0.0000 0.0000 34339.1690 -149048.1558 299.8925 -183387.3248 -148955.3111 299.6339 -138.4264 -102.7091 558210.3793 -2.8862 -2.7956 PRESSURE: 3193200 -124.428 -21.9764 -19.4983 -21.9764 -235.042 -126.799 -19.4978 -126.798 -184.537 GPRESSURE: 3193200 -56.5082 -69.0026 -24.7678 25.1671 -259.831 -145.4 -87.6911 -117.867 -121.637 PRESSAVG: 3193200 54.5961 14.1127 -5.41208 14.1126 -59.9848 39.0512 -5.41207 39.0514 22.3849 GPRESSAVG: 3193200 55.1154 12.9404 -6.72139 12.6376 -59.4895 39.0662 -4.91681 39.9219 21.3021 TIMING: 3193200 CPU: 9511.76, 0.00296747/step Wall: 9511.76, 0.00296747/step, 1.48934 hours remaining, 208.019531 MB of memory in use. ENERGY: 3193200 753.3371 2091.3474 1931.7284 108.7822 -205810.2505 17619.3447 0.0000 0.0000 34318.0106 -148987.7002 299.7077 -183305.7108 -148887.7783 300.0537 -181.3355 -145.9921 558604.5743 5.6654 5.6427 PRESSURE: 3193400 45.1496 85.7065 37.836 85.7053 162.379 -13.4871 37.8353 -13.4873 -96.1012 GPRESSURE: 3193400 105.521 128.26 51.6988 -8.36266 123.624 -46.7417 88.4896 -38.5862 -21.0072 PRESSAVG: 3193400 -42.0533 0.0582762 -11.4158 0.0581652 33.2134 47.4913 -11.4157 47.4912 4.65953 GPRESSAVG: 3193400 -43.2953 1.38757 -8.6977 -0.225566 34.5663 47.149 -12.6828 46.1443 4.71053 TIMING: 3193400 CPU: 9512.35, 0.00292761/step Wall: 9512.35, 0.00292761/step, 1.46917 hours remaining, 208.019531 MB of memory in use. ENERGY: 3193400 794.0417 2026.5253 1918.5166 105.7570 -206524.0894 18074.9114 0.0000 0.0000 34528.2116 -149076.1258 301.5435 -183604.3374 -148983.2489 300.0827 37.1425 69.3794 557127.3376 -1.3935 -1.3395 PRESSURE: 3193600 151.847 54.7968 62.6777 54.7971 -202.787 -1.57888 62.677 -1.57983 7.35733 GPRESSURE: 3193600 141.956 67.725 116.412 89.1519 -154.91 39.7437 32.771 -11.3407 48.7666 PRESSAVG: 3193600 0.509405 -33.5468 -7.43359 -33.5467 38.1916 28.2405 -7.43349 28.2405 -42.4032 GPRESSAVG: 3193600 0.295327 -34.0429 -11.6396 -34.2012 37.6521 28.8437 -7.30319 28.3979 -42.0804 TIMING: 3193600 CPU: 9512.94, 0.00294555/step Wall: 9512.94, 0.00294555/step, 1.47801 hours remaining, 208.019531 MB of memory in use. ENERGY: 3193600 734.6959 2015.3171 1926.2966 105.2209 -206132.0818 17646.8785 0.0000 0.0000 34547.5818 -149156.0910 301.7126 -183703.6728 -149059.7720 300.1261 -14.5274 11.9375 557079.8468 -1.2341 -1.3777 PRESSURE: 3193800 -49.5195 -23.1004 -45.2029 -23.1022 19.5503 -44.5881 -45.2032 -44.5893 -103.13 GPRESSURE: 3193800 -45.3031 -22.0608 -56.5153 37.7375 58.2856 -47.4728 -70.1648 -58.5356 -54.6068 PRESSAVG: 3193800 7.1973 10.427 12.0504 10.4271 14.1151 -6.72683 12.0504 -6.72668 18.4313 GPRESSAVG: 3193800 7.83478 10.989 14.7747 12.2621 13.6319 -7.50248 12.4965 -5.25677 18.379 TIMING: 3193800 CPU: 9513.52, 0.00293634/step Wall: 9513.52, 0.00293635/step, 1.47323 hours remaining, 208.019531 MB of memory in use. ENERGY: 3193800 757.9746 2061.6770 1932.1841 103.3977 -206054.7553 17804.0280 0.0000 0.0000 34185.0412 -149210.4527 298.5465 -183395.4939 -149113.5431 299.3106 -44.3665 -13.8747 558028.7706 13.2479 13.2819 PRESSURE: 3194000 -130.057 -116.637 91.1739 -116.637 41.1349 168.49 91.1741 168.49 43.4969 GPRESSURE: 3194000 -128.172 -120.526 118.051 -29.9384 107.805 254.433 29.8255 108.64 71.5514 PRESSAVG: 3194000 -60.4052 -54.2358 50.1293 -54.2358 30.9885 26.5066 50.1293 26.5065 14.6291 GPRESSAVG: 3194000 -59.0098 -53.5041 49.6875 -55.1465 30.2832 25.5685 50.8906 27.5797 13.7287 TIMING: 3194000 CPU: 9514.11, 0.0029426/step Wall: 9514.11, 0.0029426/step, 1.4762 hours remaining, 208.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3194000 764.2886 2005.1436 1925.7705 113.3024 -206133.7145 17877.8468 0.0000 0.0000 34191.7728 -149255.5899 298.6053 -183447.3626 -149154.3816 299.1190 -15.1418 17.0616 557044.7310 -4.9292 -4.9993 PRESSURE: 3194200 7.79357 -85.8839 1.19088 -85.8838 -140.585 55.8818 1.19226 55.8831 -40.2716 GPRESSURE: 3194200 85.8175 -45.8586 -14.9048 -189.33 -56.2484 78.1202 58.9172 41.6598 -91.3331 PRESSAVG: 3194200 26.6811 -36.3633 -21.5543 -36.3634 -27.9764 44.8332 -21.5544 44.8332 46.8269 GPRESSAVG: 3194200 25.6803 -36.7058 -21.1098 -36.5683 -27.3457 46.2489 -21.4069 42.525 47.0161 TIMING: 3194200 CPU: 9514.7, 0.00291787/step Wall: 9514.7, 0.00291787/step, 1.46364 hours remaining, 208.019531 MB of memory in use. ENERGY: 3194200 775.0674 2033.8188 1913.5896 113.2399 -205875.5083 17654.6024 0.0000 0.0000 34251.5192 -149133.6711 299.1270 -183385.1903 -149037.2091 298.8732 -57.6878 -20.5880 556104.7317 15.1772 15.1169 PRESSURE: 3194400 -44.0192 118.019 43.1176 118.019 240.303 148.616 43.1172 148.614 278.109 GPRESSURE: 3194400 24.6571 36.4821 18.9023 74.8411 230.532 97.5581 32.1321 105.586 312.246 PRESSAVG: 3194400 -13.6982 1.47413 -18.1243 1.47415 23.7778 7.99892 -18.1243 7.9989 -19.366 GPRESSAVG: 3194400 -13.6549 0.55293 -19.8794 0.605974 23.1004 7.82212 -17.2852 7.37591 -18.9579 TIMING: 3194400 CPU: 9515.28, 0.00292419/step Wall: 9515.28, 0.00292419/step, 1.46664 hours remaining, 208.019531 MB of memory in use. ENERGY: 3194400 712.7430 2086.1203 1899.1200 115.4170 -206030.7061 18042.3065 0.0000 0.0000 34192.7319 -148982.2673 298.6136 -183174.9992 -148890.4485 299.1390 158.1310 189.1450 557782.8858 -3.0954 -3.1708 PRESSURE: 3194600 261.784 -120.526 -48.553 -120.527 -2.89874 -60.5151 -48.5515 -60.5157 219.346 GPRESSURE: 3194600 206.401 -195.088 -10.1072 -62.7467 80.6442 -153.837 -60.3855 95.1103 298.015 PRESSAVG: 3194600 4.62648 -9.45038 -10.8561 -9.45036 -6.19177 3.29578 -10.8561 3.29578 -16.7408 GPRESSAVG: 3194600 3.98376 -8.53532 -9.15392 -8.81505 -4.51337 1.79867 -14.4186 5.41497 -17.7268 TIMING: 3194600 CPU: 9515.87, 0.00292293/step Wall: 9515.87, 0.00292293/step, 1.46585 hours remaining, 208.019531 MB of memory in use. ENERGY: 3194600 739.7186 2050.0549 1939.9526 114.4590 -206216.0931 18045.9490 0.0000 0.0000 34295.7530 -149030.2062 299.5133 -183325.9592 -148933.6329 298.9041 159.4105 195.0199 557148.5223 -6.1020 -6.0855 PRESSURE: 3194800 347.985 29.7609 -155.218 29.7608 35.343 -74.8754 -155.217 -74.8749 27.7392 GPRESSURE: 3194800 340.54 29.707 -73.0522 10.1019 120.96 -68.7183 -168.209 -39.4511 40.5249 PRESSAVG: 3194800 87.759 -0.327311 42.3894 -0.327316 -70.1226 13.061 42.3896 13.061 16.128 GPRESSAVG: 3194800 88.189 -1.12318 43.3958 -0.0564098 -70.7455 14.1179 45.0237 13.3295 16.1664 TIMING: 3194800 CPU: 9516.45, 0.00294162/step Wall: 9516.45, 0.00294162/step, 1.47506 hours remaining, 208.019531 MB of memory in use. ENERGY: 3194800 715.3635 2033.4720 1929.5798 102.3819 -206261.6724 18002.5089 0.0000 0.0000 34471.6318 -149006.7345 301.0493 -183478.3663 -148914.7298 299.3285 137.0224 167.3416 557595.3570 11.2548 11.2033 PRESSURE: 3195000 -151.536 248.326 11.3714 248.326 -116.005 -19.4792 11.3718 -19.4791 -5.92128 GPRESSURE: 3195000 -89.8846 232.151 -57.4 161.436 -83.0504 43.8936 85.9545 -24.8971 -10.0143 PRESSAVG: 3195000 56.1603 6.42398 -3.47461 6.42392 -39.5153 15.3891 -3.47469 15.3889 -39.5462 GPRESSAVG: 3195000 55.6052 8.70985 -5.48396 6.74924 -39.5396 14.2465 -3.66026 15.8309 -39.2074 TIMING: 3195000 CPU: 9517.05, 0.00296403/step Wall: 9517.05, 0.00296403/step, 1.48613 hours remaining, 208.019531 MB of memory in use. ENERGY: 3195000 729.0956 2087.2110 1936.5032 122.3374 -205827.0999 17522.9997 0.0000 0.0000 34293.4225 -149135.5306 299.4930 -183428.9531 -149046.9099 299.1362 -91.1539 -60.9831 556990.4153 -7.6337 -7.7139 PRESSURE: 3195200 -232.876 149.655 161.828 149.655 -100.075 -38.3982 161.828 -38.3991 -140.309 GPRESSURE: 3195200 -188.643 33.4868 117.783 215.309 -43.0249 -106.008 217.87 -21.7083 -137.97 PRESSAVG: 3195200 23.4101 28.6219 40.2225 28.6219 20.1639 9.53609 40.2226 9.53613 -7.94785 GPRESSAVG: 3195200 24.9923 28.1244 40.8545 26.6569 18.2181 9.4057 40.2932 8.86857 -7.0709 TIMING: 3195200 CPU: 9517.64, 0.00294441/step Wall: 9517.64, 0.00294441/step, 1.47613 hours remaining, 208.019531 MB of memory in use. ENERGY: 3195200 775.1638 2124.5185 1914.3453 109.3295 -205977.9880 17545.1328 0.0000 0.0000 34423.6767 -149085.8213 300.6305 -183509.4980 -148986.8587 299.7182 -157.7534 -123.2127 556930.9009 11.8754 12.0465 PRESSURE: 3195400 9.69205 11.8921 -51.2983 11.893 -85.9053 -65.5421 -51.2987 -65.5422 -156.928 GPRESSURE: 3195400 16.4045 43.348 -15.4243 4.67909 -23.8268 84.6243 -9.40465 -194.078 -129.678 PRESSAVG: 3195400 -18.1367 14.8968 24.165 14.8967 4.14601 -39.6289 24.165 -39.6288 -11.3031 GPRESSAVG: 3195400 -19.3732 11.9304 25.051 17.561 5.70014 -38.3626 24.7928 -42.0308 -11.4811 TIMING: 3195400 CPU: 9518.23, 0.00295309/step Wall: 9518.23, 0.00295309/step, 1.48032 hours remaining, 208.019531 MB of memory in use. ENERGY: 3195400 792.5454 2067.8184 1928.5632 127.8948 -206257.7988 17875.2810 0.0000 0.0000 34319.3344 -149146.3616 299.7193 -183465.6960 -149048.3263 299.4267 -77.7139 -45.7000 558416.1627 -8.4313 -8.3847 PRESSURE: 3195600 -19.6387 -60.7388 80.674 -60.739 -148.159 5.03102 80.6747 5.02942 98.5275 GPRESSURE: 3195600 62.6014 42.702 159.128 -129.654 -119.38 32.699 31.2212 28.718 100.053 PRESSAVG: 3195600 53.6482 7.49539 16.737 7.49536 -6.00053 -62.357 16.7369 -62.3569 -0.844176 GPRESSAVG: 3195600 54.7303 9.49527 15.1748 7.38129 -5.93212 -62.7614 15.7912 -59.7684 -1.83528 TIMING: 3195600 CPU: 9518.82, 0.00295986/step Wall: 9518.82, 0.00295985/step, 1.48354 hours remaining, 208.019531 MB of memory in use. ENERGY: 3195600 696.8883 2036.2990 1955.2321 120.4620 -205484.3945 17505.7516 0.0000 0.0000 34065.3685 -149104.3929 297.5013 -183169.7614 -149012.0197 299.1427 -23.0901 14.4247 557144.7984 15.6012 15.6543 PRESSURE: 3195800 -17.0542 75.1497 -73.6721 75.1489 -279.453 100.926 -73.6714 100.925 159.53 GPRESSURE: 3195800 -8.18144 157.042 -1.70275 109.198 -218.383 140.247 -114.42 52.8079 189.263 PRESSAVG: 3195800 -30.0196 8.16085 -17.9659 8.16088 -27.6196 -48.7922 -17.9659 -48.7924 48.63 GPRESSAVG: 3195800 -30.8375 6.92084 -17.7831 8.73716 -28.5015 -47.3066 -16.8064 -51.3678 49.5379 TIMING: 3195800 CPU: 9519.41, 0.00298138/step Wall: 9519.41, 0.00298138/step, 1.49417 hours remaining, 208.019531 MB of memory in use. ENERGY: 3195800 766.7396 2089.6695 1919.8317 124.9879 -205640.3016 17721.1618 0.0000 0.0000 34104.4770 -148913.4340 297.8429 -183017.9111 -148821.3522 299.5700 -45.6591 -12.4337 559319.4846 -3.0030 -3.2670 PRESSURE: 3196000 84.322 -136.398 154.879 -136.396 43.3956 48.3749 154.879 48.3754 -23.2504 GPRESSURE: 3196000 48.1953 -56.7771 107.402 -174.554 74.8313 57.8313 182.173 24.9872 77.4073 PRESSAVG: 3196000 -20.1039 44.2778 31.527 44.2778 -56.3234 17.4153 31.527 17.4154 57.0505 GPRESSAVG: 3196000 -19.2521 46.6839 31.6479 42.3671 -56.5603 17.8165 30.5038 19.3772 56.2316 TIMING: 3196000 CPU: 9520.01, 0.00295514/step Wall: 9520.01, 0.00295514/step, 1.48085 hours remaining, 208.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3196000 738.9756 2109.1502 1933.3009 126.3201 -206135.5086 17943.5801 0.0000 0.0000 34385.8815 -148898.3001 300.3005 -183284.1816 -148813.5428 300.0456 34.8224 66.8113 558361.7032 -6.4590 -6.5269 PRESSURE: 3196200 -64.9102 106.276 -5.61381 106.275 158.451 -59.3042 -5.6142 -59.3029 151.775 GPRESSURE: 3196200 -15.6028 103.28 -18.9151 88.5168 183.641 -1.21528 -26.7089 -30.3409 175.945 PRESSAVG: 3196200 20.6044 12.054 27.3258 12.0539 17.9705 1.26313 27.3258 1.26316 -49.5057 GPRESSAVG: 3196200 19.083 10.7856 27.7234 12.4216 17.8617 -1.07941 25.8433 0.950281 -48.4247 TIMING: 3196200 CPU: 9520.59, 0.00293155/step Wall: 9520.59, 0.00293155/step, 1.46887 hours remaining, 208.019531 MB of memory in use. ENERGY: 3196200 728.1347 2074.8998 1914.8813 106.6562 -206240.9081 17910.7559 0.0000 0.0000 34563.4147 -148942.1655 301.8509 -183505.5802 -148841.8216 300.5675 81.7719 114.6611 556500.2573 -3.6436 -3.8266 LDB: ============= START OF LOAD BALANCING ============== 9524.13 LDB: ============== END OF LOAD BALANCING =============== 9524.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9524.14 LDB: ============= START OF LOAD BALANCING ============== 9524.43 LDB: Largest compute 4772 load 0.027877 is 23.6% of average load 0.118213 LDB: Average compute 0.001726 is 1.5% of average load 0.118213 LDB: TIME 9524.43 LOAD: AVG 0.118213 MAX 0.196238 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.93 MB LDB: TIME 9524.43 LOAD: AVG 0.118213 MAX 0.196238 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.945 MB LDB: TIME 9524.43 LOAD: AVG 0.118213 MAX 0.196238 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.945 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9524.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9524.44 PRESSURE: 3196400 9.5721 58.8225 63.2692 58.8206 242.67 -292.554 63.2694 -292.554 -154.249 GPRESSURE: 3196400 52.6206 56.6449 101.227 131.695 269.876 -219.769 59.1697 -331.459 -134.656 PRESSAVG: 3196400 -37.6233 30.4324 -1.16543 30.4324 112.593 5.40543 -1.16539 5.40543 -85.6358 GPRESSAVG: 3196400 -37.0259 29.5878 -0.896307 30.9187 113.136 5.52873 0.645071 5.68373 -86.8797 TIMING: 3196400 CPU: 9521.19, 0.00298209/step Wall: 9521.19, 0.00298209/step, 1.49403 hours remaining, 207.250000 MB of memory in use. ENERGY: 3196400 722.5723 2065.5115 1974.8329 113.5708 -205855.7980 17695.2544 0.0000 0.0000 34300.8584 -148983.1977 299.5579 -183284.0561 -148886.4799 299.9045 32.6641 62.6132 556582.2813 -3.5553 -3.5900 PRESSURE: 3196600 -191.225 29.741 -205.29 29.7402 228.03 -49.4892 -205.29 -49.4884 0.521058 GPRESSURE: 3196600 -153.171 61.7963 -213.325 -21.4119 235.512 -89.0914 -177.115 -46.8412 56.9443 PRESSAVG: 3196600 -8.42009 -2.03761 -31.3836 -2.03755 51.8904 -34.7425 -31.3836 -34.7426 -57.3173 GPRESSAVG: 3196600 -8.26483 -4.03067 -31.8819 0.0887095 51.1024 -34.7889 -32.2158 -35.204 -57.1818 TIMING: 3196600 CPU: 9521.78, 0.00293687/step Wall: 9521.78, 0.00293687/step, 1.47121 hours remaining, 207.250000 MB of memory in use. ENERGY: 3196600 725.8014 2099.6988 1964.8987 103.5943 -206004.9516 17799.9217 0.0000 0.0000 34362.5620 -148948.4747 300.0968 -183311.0367 -148858.4120 300.4757 12.4420 46.4284 557684.8115 -4.6157 -4.7814 PRESSURE: 3196800 -115.099 19.0964 5.85789 19.097 -71.5778 84.7562 5.85842 84.757 95.8775 GPRESSURE: 3196800 -55.4586 -32.6048 -30.9038 57.2864 -17.0372 83.2624 2.99443 96.8655 86.0524 PRESSAVG: 3196800 -83.9208 -24.5376 4.68757 -24.5376 89.497 46.4524 4.68754 46.4524 -14.7358 GPRESSAVG: 3196800 -84.9059 -22.0649 6.95661 -26.9981 90.3083 47.9773 3.96513 46.2867 -14.4125 TIMING: 3196800 CPU: 9522.37, 0.0029716/step Wall: 9522.37, 0.0029716/step, 1.48844 hours remaining, 207.250000 MB of memory in use. ENERGY: 3196800 678.7609 2076.6829 1902.9108 101.3713 -205566.0243 17613.0429 0.0000 0.0000 34287.3826 -148905.8729 299.4402 -183193.2555 -148805.5256 300.0499 -30.2665 4.5188 557775.6385 -3.0532 -3.0034 PRESSURE: 3197000 -40.8731 -121.685 20.502 -121.686 100.618 65.2885 20.503 65.2887 -141.636 GPRESSURE: 3197000 -21.6996 -104.732 83.6004 -101.602 155.421 -6.93364 62.7243 83.0985 -124.102 PRESSAVG: 3197000 -75.2155 39.0889 47.1215 39.0888 39.7187 21.1203 47.1215 21.1206 31.4018 GPRESSAVG: 3197000 -74.9332 40.0238 45.9371 38.4054 38.4543 20.9709 50.8191 20.374 32.1411 TIMING: 3197000 CPU: 9522.97, 0.00300303/step Wall: 9522.97, 0.00300303/step, 1.50402 hours remaining, 207.250000 MB of memory in use. ENERGY: 3197000 721.6403 2046.6260 1940.4027 113.5915 -205905.0320 17687.0700 0.0000 0.0000 34278.3504 -149117.3510 299.3614 -183395.7014 -149017.6183 299.8142 -27.2970 3.2068 556205.7567 -1.3650 -1.4460 PRESSURE: 3197200 -103.169 82.5034 -14.057 82.5018 162.101 234 -14.057 234 218.621 GPRESSURE: 3197200 -90.3733 87.2028 59.1518 65.3519 182.766 191.792 -48.8958 240.883 278.405 PRESSAVG: 3197200 -72.1476 22.7015 34.3716 22.7014 2.24081 -2.5546 34.3716 -2.55459 31.7595 GPRESSAVG: 3197200 -72.1758 20.0165 33.4569 24.9892 2.87141 -3.06463 30.7513 -2.4091 31.1226 TIMING: 3197200 CPU: 9523.56, 0.00297064/step Wall: 9523.56, 0.00297064/step, 1.48763 hours remaining, 207.250000 MB of memory in use. ENERGY: 3197200 749.3550 2110.8810 1944.4075 109.3310 -206129.8159 17823.9739 0.0000 0.0000 34385.0835 -149006.7840 300.2935 -183391.8675 -148909.5889 300.5013 92.5179 123.5993 556402.8945 -12.7157 -12.7273 PRESSURE: 3197400 -282.173 -42.9004 4.92676 -42.9015 191.4 102.78 4.92731 102.781 209.082 GPRESSURE: 3197400 -273.743 -39.3703 -51.0827 -47.8328 236.022 15.0657 78.4639 111.662 256.762 PRESSAVG: 3197400 -22.9734 5.22675 -40.3759 5.22667 -30.6935 40.436 -40.3759 40.4361 70.3046 GPRESSAVG: 3197400 -23.2728 6.79196 -42.4634 3.29251 -31.0076 39.2441 -38.4252 40.2529 71.069 TIMING: 3197400 CPU: 9524.15, 0.00293629/step Wall: 9524.15, 0.00293629/step, 1.47027 hours remaining, 207.250000 MB of memory in use. ENERGY: 3197400 759.3794 2103.9884 1922.6481 111.5279 -206071.6629 17842.2617 0.0000 0.0000 34455.3082 -148876.5492 300.9068 -183331.8574 -148780.4351 300.1993 39.4362 73.0136 556708.7694 5.5459 5.5962 PRESSURE: 3197600 -149.874 85.9644 -61.7771 85.9641 95.2104 94.8139 -61.7766 94.814 -323.317 GPRESSURE: 3197600 -125.244 84.507 -29.1965 67.2752 131.142 189.649 46.1847 41.9815 -291.378 PRESSAVG: 3197600 -36.1723 -13.0543 28.9985 -13.0542 39.1257 6.53435 28.9985 6.53437 -9.37433 GPRESSAVG: 3197600 -35.6467 -13.4837 31.842 -13.4839 40.4619 8.13991 27.3294 6.82587 -10.6135 TIMING: 3197600 CPU: 9524.74, 0.00293407/step Wall: 9524.74, 0.00293407/step, 1.46899 hours remaining, 207.250000 MB of memory in use. ENERGY: 3197600 782.6567 2067.8635 1932.4116 115.1990 -205665.7562 17520.8670 0.0000 0.0000 34153.2586 -149093.4997 298.2689 -183246.7583 -148998.1337 299.7402 -125.9935 -95.1601 557321.0052 -2.1403 -1.9328 PRESSURE: 3197800 -236.985 -13.9236 76.3331 -13.9234 -285.807 -177.711 76.3343 -177.71 -152.484 GPRESSURE: 3197800 -271.736 -17.6874 36.4009 -3.56258 -219.703 -84.4121 50.6451 -304.374 -86.8184 PRESSAVG: 3197800 -19.5189 -11.4683 -35.7219 -11.4683 -6.64049 0.192653 -35.7219 0.192687 -6.02966 GPRESSAVG: 3197800 -19.4218 -9.45109 -39.3548 -11.0169 -7.01321 -0.391883 -36.1813 0.66619 -5.46806 TIMING: 3197800 CPU: 9525.32, 0.00293033/step Wall: 9525.32, 0.00293033/step, 1.46695 hours remaining, 207.250000 MB of memory in use. ENERGY: 3197800 781.1428 2104.2541 1905.2443 112.1794 -205974.6215 17588.0052 0.0000 0.0000 34428.3662 -149055.4295 300.6715 -183483.7957 -148958.6071 299.9551 -225.0920 -192.7522 557382.9891 -10.7297 -10.6344 PRESSURE: 3198000 -190.688 -76.6784 31.9841 -76.6798 160.562 71.3093 31.9826 71.3102 139.54 GPRESSURE: 3198000 -147.296 20.7239 28.9996 -85.5126 162.824 116.258 -20.0953 39.3517 197.279 PRESSAVG: 3198000 -63.3666 27.4927 -21.2474 27.4927 12.1801 -54.9634 -21.2474 -54.9633 49.1141 GPRESSAVG: 3198000 -64.2123 27.0433 -15.9545 28.8225 12.8426 -52.7182 -20.1982 -57.8269 49.1001 TIMING: 3198000 CPU: 9525.91, 0.00293276/step Wall: 9525.91, 0.00293276/step, 1.46801 hours remaining, 207.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3198000 725.8601 2088.1270 1960.3337 122.8896 -206298.9882 17938.0155 0.0000 0.0000 34441.9771 -149021.7851 300.7904 -183463.7622 -148928.1597 300.1230 36.4711 70.9359 556781.9413 -0.6908 -0.7565 PRESSURE: 3198200 -58.5637 9.85759 99.7698 9.85745 -239.684 -124.54 99.7681 -124.54 136.256 GPRESSURE: 3198200 -20.3177 40.0189 114.408 -31.4705 -186.238 -197.197 92.813 -75.9518 167.907 PRESSAVG: 3198200 -3.27451 30.9925 -9.3758 30.9925 -49.3687 -23.5481 -9.3758 -23.5481 47.5597 GPRESSAVG: 3198200 -2.87852 30.0995 -10.5004 28.523 -50.2576 -25.1267 -8.73451 -21.1077 48.6128 TIMING: 3198200 CPU: 9526.51, 0.00299951/step Wall: 9526.51, 0.00299951/step, 1.50125 hours remaining, 207.250000 MB of memory in use. ENERGY: 3198200 792.0998 2041.6439 1919.6840 102.5530 -205677.6538 17611.0575 0.0000 0.0000 34348.7080 -148861.9078 299.9758 -183210.6157 -148758.7520 300.4412 -53.9972 -12.8829 557123.7846 -1.6945 -1.5078 PRESSURE: 3198400 29.4092 71.9252 -181.747 71.9234 -222.79 -113.051 -181.748 -113.052 -200.349 GPRESSURE: 3198400 105.354 32.3781 -183.648 78.7883 -180.419 -108.596 -114.421 -77.9125 -216.631 PRESSAVG: 3198400 -58.461 -21.6649 -27.6589 -21.6649 -18.058 17.7447 -27.659 17.7447 36.2284 GPRESSAVG: 3198400 -58.5284 -22.8885 -27.7677 -18.7545 -19.1935 15.4058 -27.6137 18.8508 37.1141 TIMING: 3198400 CPU: 9527.11, 0.00299193/step Wall: 9527.11, 0.00299193/step, 1.49729 hours remaining, 207.250000 MB of memory in use. ENERGY: 3198400 753.8261 2145.6604 1920.3025 109.3870 -205880.5028 17664.0021 0.0000 0.0000 34514.1568 -148773.1678 301.4207 -183287.3246 -148669.8647 300.8811 -131.2431 -97.2318 557823.2501 -13.4302 -13.5359 PRESSURE: 3198600 -58.8329 66.6232 131.206 66.6243 -178.969 -41.8643 131.208 -41.8645 52.1958 GPRESSURE: 3198600 -6.51218 74.6119 75.0165 115.356 -189.623 -36.8555 167.641 -40.8403 110.147 PRESSAVG: 3198600 -1.56039 -25.2778 -23.8743 -25.2777 -5.31853 -37.501 -23.8743 -37.5011 1.53966 GPRESSAVG: 3198600 -1.73793 -23.3036 -25.6621 -27.1271 -4.22051 -38.2636 -23.116 -37.3851 0.690635 TIMING: 3198600 CPU: 9527.7, 0.00296754/step Wall: 9527.7, 0.00296754/step, 1.48492 hours remaining, 207.250000 MB of memory in use. ENERGY: 3198600 746.1688 2134.8288 1906.3964 98.1901 -205817.0440 17715.5565 0.0000 0.0000 34339.8677 -148876.0356 299.8986 -183215.9033 -148780.4148 300.0959 -61.8688 -28.6628 558802.3082 -1.7798 -1.7559 PRESSURE: 3198800 10.7643 119.682 197.643 119.681 133.86 51.3675 197.643 51.3666 118.362 GPRESSURE: 3198800 19.7648 91.595 123.585 115.357 166.482 66.9572 89.8395 112.382 180.309 PRESSAVG: 3198800 31.0284 10.166 -32.5755 10.1661 25.5029 -24.7951 -32.5756 -24.7952 -46.6111 GPRESSAVG: 3198800 32.1511 9.64096 -32.4835 11.9476 25.6227 -23.2786 -33.4553 -26.5281 -47.9904 TIMING: 3198800 CPU: 9528.3, 0.00296305/step Wall: 9528.3, 0.00296305/step, 1.48251 hours remaining, 207.250000 MB of memory in use. ENERGY: 3198800 745.2005 2133.7469 1914.2307 106.6494 -206172.0662 18041.5536 0.0000 0.0000 34153.4694 -149077.2156 298.2707 -183230.6850 -148983.4776 299.6571 87.6623 122.1851 557495.7308 3.3067 3.2611 PRESSURE: 3199000 -48.9514 -127.207 85.3845 -127.208 -295.004 21.2866 85.3845 21.2863 137.106 GPRESSURE: 3199000 -69.2088 -111.062 102.808 -87.2646 -278.981 -41.6026 -23.4874 55.5786 245.65 PRESSAVG: 3199000 9.48799 8.1794 25.838 8.17937 -38.7358 -12.4537 25.8379 -12.4537 -7.37745 GPRESSAVG: 3199000 9.17615 8.76485 27.7075 9.01644 -39.2055 -12.2092 24.6543 -15.318 -6.24334 TIMING: 3199000 CPU: 9528.89, 0.00296993/step Wall: 9528.89, 0.00296993/step, 1.48579 hours remaining, 207.250000 MB of memory in use. ENERGY: 3199000 746.1339 2086.2343 1920.4619 112.6710 -205853.1699 17658.1986 0.0000 0.0000 34254.6812 -149074.7890 299.1547 -183329.4702 -148975.9748 299.2814 -68.9496 -34.1799 557793.0003 -12.2084 -12.0909 PRESSURE: 3199200 35.4602 -33.6666 25.4687 -33.6666 -10.3497 163.119 25.4685 163.117 43.2579 GPRESSURE: 3199200 99.0388 -57.4808 93.8404 -27.8223 -34.9935 127.581 -21.2793 197.807 99.3046 PRESSAVG: 3199200 -28.1184 -2.88504 74.6187 -2.88517 -8.62897 -1.60219 74.6188 -1.60214 45.1207 GPRESSAVG: 3199200 -28.5383 -4.23076 72.7582 -0.813562 -8.83303 -1.93243 75.4387 2.97126 45.6089 TIMING: 3199200 CPU: 9529.48, 0.00293781/step Wall: 9529.48, 0.00293781/step, 1.46956 hours remaining, 207.250000 MB of memory in use. ENERGY: 3199200 717.0529 2054.4453 1959.2061 116.3077 -206233.3129 17733.4004 0.0000 0.0000 34416.4199 -149236.4805 300.5672 -183652.9003 -149140.8993 299.0922 22.7895 54.4499 556628.8571 2.7911 2.7459 PRESSURE: 3199400 -99.6798 -10.8273 10.9698 -10.8278 -83.9984 -94.9523 10.9688 -94.9525 -122.262 GPRESSURE: 3199400 -89.8475 37.4928 15.8991 -56.4747 -23.9205 -65.3909 -56.7151 -59.8735 -89.4865 PRESSAVG: 3199400 6.44241 11.216 7.09521 11.2159 -22.571 -26.8759 7.0952 -26.8759 26.9698 GPRESSAVG: 3199400 5.90612 13.3666 6.29292 6.56609 -22.779 -26.2874 7.21871 -28.5452 27.8876 TIMING: 3199400 CPU: 9530.07, 0.00294437/step Wall: 9530.07, 0.00294437/step, 1.47267 hours remaining, 207.250000 MB of memory in use. ENERGY: 3199400 735.3081 2095.1492 1966.7191 119.3178 -205894.7078 17610.9537 0.0000 0.0000 34025.7129 -149341.5470 297.1550 -183367.2599 -149250.8887 298.3450 -101.9802 -67.7515 557569.0583 3.6137 3.6716 PRESSURE: 3199600 -72.8338 77.9301 -216.527 77.9315 152.005 -160.619 -216.528 -160.618 -27.0774 GPRESSURE: 3199600 -75.4937 106.99 -185.123 147.022 175.808 -118.076 -179.488 -222.899 46.8496 PRESSAVG: 3199600 72.0673 10.8954 -9.73377 10.8954 -59.8301 3.12549 -9.73369 3.1254 -11.7591 GPRESSAVG: 3199600 72.4471 8.31675 -7.73657 13.6645 -58.7723 3.09095 -10.5246 3.61285 -13.1152 TIMING: 3199600 CPU: 9530.66, 0.00294879/step Wall: 9530.66, 0.00294879/step, 1.47472 hours remaining, 207.250000 MB of memory in use. ENERGY: 3199600 717.8525 2057.6026 1934.0871 116.8245 -205963.6688 17690.6674 0.0000 0.0000 33958.9727 -149487.6620 296.5722 -183446.6347 -149396.6602 298.1779 17.3647 49.0547 556146.5124 0.1594 0.1866 PRESSURE: 3199800 6.02825 49.6389 139.108 49.6401 131.186 -247.953 139.108 -247.953 52.5149 GPRESSURE: 3199800 96.1093 8.30816 224.43 43.8495 130.282 -269.889 149.8 -189.249 65.3194 PRESSAVG: 3199800 -18.7701 25.3827 67.4579 25.3826 42.3194 -115.139 67.4579 -115.139 -19.3219 GPRESSAVG: 3199800 -16.5955 26.0265 67.6256 27.3978 40.0622 -115.547 67.6427 -116.126 -18.7539 TIMING: 3199800 CPU: 9531.24, 0.00293319/step Wall: 9531.24, 0.00293319/step, 1.46676 hours remaining, 207.250000 MB of memory in use. ENERGY: 3199800 711.7235 2066.9653 1923.1945 126.3708 -206698.9879 17963.0841 0.0000 0.0000 34249.6453 -149658.0045 299.1107 -183907.6497 -149561.0844 297.7476 63.2429 97.2367 556837.2840 1.4091 1.5709 PRESSURE: 3200000 -100.379 131.99 92.9384 131.991 -10.8121 -126.861 92.9383 -126.861 -69.9361 GPRESSURE: 3200000 -110.501 118.05 77.0195 154.238 43.1705 -147.017 103.634 -111.279 -18.1931 PRESSAVG: 3200000 53.2899 44.876 61.8608 44.876 0.627317 -33.3429 61.8608 -33.3428 -10.1778 GPRESSAVG: 3200000 52.2621 45.4476 61.5501 44.2614 2.64017 -34.6047 61.2771 -31.0794 -10.7069 TIMING: 3200000 CPU: 9531.83, 0.00292823/step Wall: 9531.83, 0.00292823/step, 1.46411 hours remaining, 207.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3200000 770.9989 2110.1882 1933.1422 107.3086 -206628.3940 17829.5788 0.0000 0.0000 34334.6221 -149542.5552 299.8528 -183877.1773 -149445.6423 298.6207 -60.3756 -28.5079 557560.0328 14.5798 14.7318 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3200000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 3200000 WRITING COORDINATES TO RESTART FILE AT STEP 3200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3200200 66.776 -3.40222 -92.9875 -3.40265 91.1473 1.32342 -92.9867 1.32287 -243.41 GPRESSURE: 3200200 85.0774 -51.3941 26.2343 1.51494 98.7727 -13.0025 -158.95 59.6884 -176.179 PRESSAVG: 3200200 14.8857 -13.8873 5.90542 -13.8874 -46.6446 30.0523 5.90536 30.0523 -11.046 GPRESSAVG: 3200200 15.2904 -15.3783 5.63904 -14.3022 -47.1317 32.3496 5.97424 28.5729 -10.5209 TIMING: 3200200 CPU: 9532.44, 0.00303674/step Wall: 9532.44, 0.00303674/step, 1.5182 hours remaining, 207.250000 MB of memory in use. ENERGY: 3200200 712.8425 2085.9569 1946.1090 119.0568 -206584.9648 17868.4744 0.0000 0.0000 34251.0101 -149601.5151 299.1226 -183852.5252 -149503.2411 298.1869 -28.4957 2.5572 557345.0119 -14.2683 -14.1207 LDB: ============= START OF LOAD BALANCING ============== 9535.98 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9535.98 LDB: =============== DONE WITH MIGRATION ================ 9535.98 LDB: ============= START OF LOAD BALANCING ============== 9536.28 LDB: Largest compute 4772 load 0.028868 is 24.4% of average load 0.118273 LDB: Average compute 0.001720 is 1.5% of average load 0.118273 LDB: TIME 9536.28 LOAD: AVG 0.118273 MAX 0.196288 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.227 MB LDB: TIME 9536.28 LOAD: AVG 0.118273 MAX 0.196288 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.227 MB LDB: TIME 9536.28 LOAD: AVG 0.118273 MAX 0.196288 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9536.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9536.28 PRESSURE: 3200400 105.471 -95.2749 184.346 -95.2747 3.76313 33.6533 184.344 33.6533 389.843 GPRESSURE: 3200400 135.541 -87.3552 80.9382 -116.751 33.1345 -20.3954 245.262 79.6477 424.944 PRESSAVG: 3200400 -22.8056 -64.382 45.7399 -64.3818 -34.0622 15.358 45.7399 15.358 42.8778 GPRESSAVG: 3200400 -23.2965 -62.1646 43.9376 -65.1508 -33.7622 15.8233 47.8512 16.5617 43.4605 TIMING: 3200400 CPU: 9533.03, 0.00299322/step Wall: 9533.03, 0.00299322/step, 1.49628 hours remaining, 208.531250 MB of memory in use. ENERGY: 3200400 704.7157 2121.0815 1944.7914 115.2225 -206975.9184 18209.3129 0.0000 0.0000 34247.5274 -149633.2670 299.0922 -183880.7944 -149532.9146 298.6459 166.3592 197.8729 557773.4818 -4.6633 -4.5327 PRESSURE: 3200600 -316.323 57.685 -13.7154 57.6857 -122.275 -211.793 -13.7167 -211.793 -58.7755 GPRESSURE: 3200600 -319.411 100.569 17.0165 -13.2494 -5.78633 -268.615 -21.0969 -202.734 -65.8209 PRESSAVG: 3200600 -67.1141 -96.3919 73.1223 -96.3919 -13.8792 33.4262 73.1224 33.4261 41.1915 GPRESSAVG: 3200600 -67.6482 -96.8564 75.4572 -98.1058 -12.3924 31.626 72.2512 32.4348 40.4219 TIMING: 3200600 CPU: 9533.62, 0.00293193/step Wall: 9533.62, 0.00293193/step, 1.46548 hours remaining, 208.734375 MB of memory in use. ENERGY: 3200600 786.0501 2076.1110 1932.2750 98.0227 -206385.0478 17674.4068 0.0000 0.0000 34286.1405 -149532.0416 299.4294 -183818.1821 -149434.0601 298.2886 -165.7911 -130.3394 556030.4595 -13.2673 -13.2062 PRESSURE: 3200800 -41.8 -136.681 3.69683 -136.68 -139.15 -64.409 3.69791 -64.4099 36.2453 GPRESSURE: 3200800 -1.20862 -148.926 -19.2246 -103.051 -87.1638 -43.0441 -31.3422 -50.2556 46.9712 PRESSAVG: 3200800 -27.365 -37.7179 -2.51044 -37.7179 57.5231 -20.3572 -2.51046 -20.3574 6.48576 GPRESSAVG: 3200800 -25.9781 -40.34 -2.21854 -35.5627 55.7512 -19.7146 -2.66704 -18.872 6.52634 TIMING: 3200800 CPU: 9534.21, 0.00295368/step Wall: 9534.21, 0.00295368/step, 1.47619 hours remaining, 208.734375 MB of memory in use. ENERGY: 3200800 758.7704 2118.4599 1926.8979 122.2454 -206450.8261 17821.5425 0.0000 0.0000 34034.1889 -149668.7212 297.2290 -183702.9100 -149573.9793 298.5904 -48.2348 -13.8004 557421.7205 12.2146 12.0998 PRESSURE: 3201000 -368.093 -41.3206 -153.971 -41.3219 -283.084 -42.3514 -153.972 -42.3505 -209.6 GPRESSURE: 3201000 -360.937 37.2363 -264.191 -35.4112 -233.177 -105.661 -146.494 41.6207 -154.736 PRESSAVG: 3201000 -20.6744 -73.3651 -3.07196 -73.3651 -132.635 3.00343 -3.07199 3.00353 96.2268 GPRESSAVG: 3201000 -21.8482 -69.8982 -3.75717 -73.9113 -131.497 2.97327 -2.22907 2.83879 95.7627 TIMING: 3201000 CPU: 9534.81, 0.00297218/step Wall: 9534.81, 0.00297218/step, 1.48527 hours remaining, 208.734375 MB of memory in use. ENERGY: 3201000 733.8905 2138.0584 1882.1538 118.0399 -205912.2794 17317.4749 0.0000 0.0000 34113.3952 -149609.2667 297.9208 -183722.6619 -149511.8115 297.6326 -286.9257 -249.6166 558543.4224 -19.0277 -19.1941 PRESSURE: 3201200 66.1958 127.771 124.762 127.771 -56.8897 -30.229 124.762 -30.2289 164.229 GPRESSURE: 3201200 94.4384 122.846 107.411 49.0613 -63.2574 0.784496 94.7024 11.5935 224.829 PRESSAVG: 3201200 -13.7344 6.34713 6.27308 6.34702 15.5185 -33.6706 6.27302 -33.6706 24.3113 GPRESSAVG: 3201200 -13.6604 3.62781 4.83413 6.84757 14.4392 -33.3156 6.67364 -35.3502 25.1822 TIMING: 3201200 CPU: 9535.4, 0.00297502/step Wall: 9535.4, 0.00297502/step, 1.48652 hours remaining, 208.734375 MB of memory in use. ENERGY: 3201200 739.9584 2066.1288 1906.9831 108.8150 -206780.9619 17967.5226 0.0000 0.0000 34298.8737 -149692.6804 299.5406 -183991.5541 -149599.8998 297.6238 57.8451 85.3367 557185.4823 8.6985 8.6537 PRESSURE: 3201400 -208.562 -21.4221 -166.087 -21.423 -221.135 -10.1108 -166.088 -10.1128 -25.9655 GPRESSURE: 3201400 -167.23 25.6016 -83.7564 -53.1116 -193.212 -19.197 -137.091 3.49889 -2.87669 PRESSAVG: 3201400 -65.7137 6.68779 -31.3162 6.68775 -56.9581 -1.44148 -31.3161 -1.44153 95.1512 GPRESSAVG: 3201400 -66.192 7.88207 -28.6205 6.05872 -55.886 -1.65465 -32.9851 0.0253114 93.9573 TIMING: 3201400 CPU: 9535.99, 0.00296855/step Wall: 9535.99, 0.00296855/step, 1.48312 hours remaining, 208.734375 MB of memory in use. ENERGY: 3201400 759.5700 2085.8985 1921.1828 102.3473 -206357.7305 17624.8074 0.0000 0.0000 34214.5193 -149649.4052 298.8039 -183863.9245 -149554.8626 298.2791 -151.8873 -121.1061 558638.7473 -9.1735 -9.3736 PRESSURE: 3201600 33.5924 103.438 217.871 103.438 -72.0603 -10.1141 217.87 -10.1138 -95.5531 GPRESSURE: 3201600 58.3341 123.052 206.684 64.1624 -78.3535 48.1044 119.765 -56.9749 -22.0933 PRESSAVG: 3201600 -29.7103 -24.3919 -27.8688 -24.3919 61.7344 10.5041 -27.8687 10.5041 -20.2202 GPRESSAVG: 3201600 -28.8108 -24.9455 -28.1593 -23.268 60.96 11.515 -26.8331 9.3 -19.7461 TIMING: 3201600 CPU: 9536.58, 0.00294518/step Wall: 9536.58, 0.00294518/step, 1.47128 hours remaining, 208.734375 MB of memory in use. ENERGY: 3201600 752.3103 2049.1088 1931.1059 99.1612 -206192.0443 17783.0125 0.0000 0.0000 33940.0838 -149637.2619 296.4072 -183577.3457 -149546.4160 298.2201 -44.6737 -14.0375 556917.3095 3.9346 4.1344 PRESSURE: 3201800 106.253 -121.502 74.1357 -121.5 -200.25 93.3551 74.135 93.3527 84.1508 GPRESSURE: 3201800 118.039 -51.3587 78.2349 -227.975 -142.353 66.9566 37.2216 20.8345 103.415 PRESSAVG: 3201800 17.7062 9.45112 58.8116 9.45097 -16.4251 39.1744 58.8116 39.1744 -7.30915 GPRESSAVG: 3201800 16.2343 11.3192 58.3097 5.80704 -15.7592 38.9997 58.7146 38.8014 -6.46208 TIMING: 3201800 CPU: 9537.17, 0.0029456/step Wall: 9537.17, 0.0029456/step, 1.47133 hours remaining, 208.734375 MB of memory in use. ENERGY: 3201800 731.4824 2032.9879 1918.7134 124.8212 -206396.9573 17677.0605 0.0000 0.0000 34277.4011 -149634.4907 299.3531 -183911.8917 -149543.2322 298.4467 -3.2823 26.3669 555818.6874 -2.0094 -1.9957 PRESSURE: 3202000 -36.9933 -210.165 -18.7606 -210.165 -92.1236 -11.8262 -18.7615 -11.8261 -120.98 GPRESSURE: 3202000 7.37227 -217.996 36.604 -134.597 -17.5043 12.4691 14.1294 66.0531 -126.226 PRESSAVG: 3202000 30.7148 -61.8455 -14.9787 -61.8454 8.5648 -24.4548 -14.9786 -24.4547 -34.4211 GPRESSAVG: 3202000 31.2981 -62.3263 -16.4287 -59.7011 7.92991 -26.3161 -14.6557 -22.3915 -34.3694 TIMING: 3202000 CPU: 9537.76, 0.00294706/step Wall: 9537.76, 0.00294706/step, 1.47189 hours remaining, 208.734375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3202000 737.3088 1996.8106 1953.1697 116.3669 -206163.6087 17688.0618 0.0000 0.0000 34207.2658 -149464.6251 298.7406 -183671.8909 -149368.4746 298.2769 -83.3658 -45.4526 556339.0018 1.6195 1.6195 PRESSURE: 3202200 52.3462 136.702 32.9848 136.702 -26.5961 5.17192 32.985 5.17334 -8.79408 GPRESSURE: 3202200 67.7332 206.866 -6.00067 97.7091 40.4125 0.969802 49.9474 -60.5045 5.31342 PRESSAVG: 3202200 14.0343 22.324 -50.6368 22.3239 25.741 2.7728 -50.6369 2.77277 -9.68024 GPRESSAVG: 3202200 14.3789 21.2185 -49.7956 23.2713 25.3467 3.95598 -50.1226 -0.110673 -10.0798 TIMING: 3202200 CPU: 9538.36, 0.00296713/step Wall: 9538.36, 0.00296713/step, 1.48175 hours remaining, 208.843750 MB of memory in use. ENERGY: 3202200 736.4080 2105.4253 1937.6350 113.6329 -206265.2414 17754.5659 0.0000 0.0000 34321.9539 -149295.6205 299.7422 -183617.5744 -149207.0038 298.8412 5.6520 37.8197 556875.5339 10.0317 9.8819 PRESSURE: 3202400 9.83243 145.601 -76.3262 145.601 -282.834 20.2607 -76.3258 20.2612 -221.621 GPRESSURE: 3202400 -0.889408 141.189 -69.6048 167.335 -221.124 12.5405 -132.018 43.4251 -172.054 PRESSAVG: 3202400 -11.2368 71.2302 -11.6376 71.2302 -8.02067 -25.7915 -11.6376 -25.7915 33.3727 GPRESSAVG: 3202400 -11.6178 72.8774 -11.6797 69.2912 -7.49514 -27.0165 -11.5467 -23.3046 33.3277 TIMING: 3202400 CPU: 9538.95, 0.00296885/step Wall: 9538.95, 0.00296885/step, 1.48244 hours remaining, 209.046875 MB of memory in use. ENERGY: 3202400 796.8993 2047.6063 1922.6058 112.8897 -206118.8842 17558.2039 0.0000 0.0000 34091.3668 -149589.3123 297.7284 -183680.6792 -149494.6115 298.5516 -164.8743 -131.3560 554927.5997 4.7051 4.7382 PRESSURE: 3202600 -277.291 17.564 -18.6516 17.5646 71.8143 65.8695 -18.6512 65.8708 -312.494 GPRESSURE: 3202600 -230.793 50.6794 48.5826 25.7151 62.6473 156.679 5.03322 -41.2779 -246.042 PRESSAVG: 3202600 45.0065 13.3511 -61.5046 13.3511 -35.098 21.7931 -61.5046 21.7932 7.97857 GPRESSAVG: 3202600 44.1822 13.2471 -60.6333 14.1246 -34.595 21.616 -60.5455 22.2514 8.11896 TIMING: 3202600 CPU: 9539.55, 0.00299252/step Wall: 9539.55, 0.00299252/step, 1.4941 hours remaining, 209.046875 MB of memory in use. ENERGY: 3202600 727.2701 2082.8318 1931.3246 111.7164 -206154.4882 17452.0885 0.0000 0.0000 34260.7940 -149588.4628 299.2080 -183849.2568 -149499.0591 298.4977 -172.6566 -138.0627 555760.5941 5.9624 5.9021 PRESSURE: 3202800 122.799 -159.514 -33.1102 -159.514 -27.3305 141.391 -33.1103 141.392 217.522 GPRESSURE: 3202800 129.295 -59.2812 52.0494 -136.94 99.1775 155.475 -168.054 178.002 184.116 PRESSAVG: 3202800 17.4671 -27.7702 -48.6475 -27.7703 8.55752 24.0058 -48.6474 24.0057 -10.4184 GPRESSAVG: 3202800 19.0362 -27.5355 -50.3946 -27.3492 7.36149 23.4773 -51.1042 23.6782 -10.7069 TIMING: 3202800 CPU: 9540.14, 0.00297967/step Wall: 9540.14, 0.00297967/step, 1.48752 hours remaining, 209.046875 MB of memory in use. ENERGY: 3202800 724.2275 2094.3671 1938.4116 108.6619 -206695.6135 18023.3861 0.0000 0.0000 34307.9158 -149498.6435 299.6196 -183806.5593 -149407.4750 298.2144 104.3300 137.5294 556216.3955 5.2021 5.2303 PRESSURE: 3203000 -147.001 -18.6221 62.0539 -18.623 44.1391 121.16 62.0545 121.162 -29.3081 GPRESSURE: 3203000 -146.338 -52.0514 55.6405 -25.0033 94.9909 23.6816 61.1317 146.563 19.6481 PRESSAVG: 3203000 -14.6584 3.88744 -30.0731 3.88741 -0.525355 31.3761 -30.0732 31.376 34.1409 GPRESSAVG: 3203000 -16.023 3.72661 -29.2392 2.82713 0.623682 30.8241 -28.2575 31.0352 34.3029 TIMING: 3203000 CPU: 9540.74, 0.00297159/step Wall: 9540.74, 0.00297159/step, 1.48332 hours remaining, 209.046875 MB of memory in use. ENERGY: 3203000 744.8279 2079.6687 1952.5887 120.3719 -206482.7429 17760.6615 0.0000 0.0000 34141.9230 -149682.7013 298.1699 -183824.6243 -149582.5556 298.4896 -44.0565 -10.5665 556530.3252 6.3190 6.3012 PRESSURE: 3203200 -230.962 14.4158 -48.623 14.4158 -255.756 154.314 -48.624 154.312 6.54382 GPRESSURE: 3203200 -182.058 70.322 -8.11078 57.0905 -214.159 36.276 -174.657 136.951 10.6788 PRESSAVG: 3203200 2.84921 8.83888 -50.9322 8.83893 18.6574 -38.7136 -50.9322 -38.7136 45.5081 GPRESSAVG: 3203200 2.20789 9.28134 -49.5875 10.5261 19.2128 -37.2126 -51.4586 -39.7524 46.2548 TIMING: 3203200 CPU: 9541.33, 0.00294886/step Wall: 9541.33, 0.00294886/step, 1.47181 hours remaining, 209.046875 MB of memory in use. ENERGY: 3203200 729.7723 2128.0092 1943.7030 107.5005 -206381.0476 17627.3694 0.0000 0.0000 34175.7451 -149668.9479 298.4653 -183844.6930 -149581.0466 298.5388 -160.0579 -128.5129 556293.6759 22.3383 22.5585 PRESSURE: 3203400 -135.201 -29.2945 -1.38635 -29.2951 208.761 -47.0099 -1.38663 -47.0085 16.2533 GPRESSURE: 3203400 -88.7536 30.6869 -31.455 6.11592 228.471 2.87695 29.0821 -44.1959 52.6688 PRESSAVG: 3203400 -4.10869 12.1658 -19.8768 12.1658 -30.0677 -37.0604 -19.8767 -37.0604 57.7552 GPRESSAVG: 3203400 -3.1861 10.2907 -22.211 11.3734 -30.9448 -37.7909 -18.7162 -37.5276 57.8074 TIMING: 3203400 CPU: 9541.92, 0.00294498/step Wall: 9541.92, 0.00294498/step, 1.46971 hours remaining, 209.046875 MB of memory in use. ENERGY: 3203400 756.6606 2024.6795 1953.5151 105.8312 -206584.4297 17949.1581 0.0000 0.0000 34257.9321 -149536.6531 299.1830 -183794.5852 -149436.7941 298.5638 29.9379 64.1289 556904.5795 7.8596 7.8922 PRESSURE: 3203600 -94.4735 11.7823 47.4873 11.7838 77.7721 -110.082 47.4869 -110.081 -239.807 GPRESSURE: 3203600 -73.6959 -89.5583 96.3472 79.7789 72.8723 -24.3929 12.7944 -124.822 -155.849 PRESSAVG: 3203600 -35.5409 2.6113 -39.0166 2.61143 -18.941 -56.2223 -39.0166 -56.2221 32.8268 GPRESSAVG: 3203600 -35.6459 3.30562 -36.2582 1.96325 -18.9872 -55.3693 -40.4098 -57.2962 32.5837 TIMING: 3203600 CPU: 9542.5, 0.00293964/step Wall: 9542.5, 0.00293964/step, 1.46688 hours remaining, 209.046875 MB of memory in use. ENERGY: 3203600 729.7440 2043.6743 1937.8534 106.3207 -206222.5985 17830.4673 0.0000 0.0000 34213.8797 -149360.6590 298.7983 -183574.5387 -149260.6041 298.6390 -85.5027 -52.2242 556694.5422 -7.2183 -7.3498 PRESSURE: 3203800 -105.301 -38.2514 5.37345 -38.2524 106.31 43.1272 5.37282 43.1295 135.959 GPRESSURE: 3203800 -56.1107 -154.552 34.0697 13.4071 102.359 -16.5498 57.2321 46.0026 183.14 PRESSAVG: 3203800 -61.1834 67.0918 99.4133 67.0918 71.0443 -20.6834 99.4133 -20.6833 -22.4953 GPRESSAVG: 3203800 -59.9847 66.6222 96.7848 69.3453 70.5323 -21.3095 99.9244 -17.7483 -22.7937 TIMING: 3203800 CPU: 9543.09, 0.00293738/step Wall: 9543.09, 0.00293738/step, 1.46559 hours remaining, 209.046875 MB of memory in use. ENERGY: 3203800 736.4998 2084.9385 1896.5972 109.6040 -206282.7551 17844.5926 0.0000 0.0000 34294.0995 -149316.4235 299.4989 -183610.5230 -149217.7404 299.1636 45.6559 76.4626 557131.3879 -4.2115 -4.0820 PRESSURE: 3204000 -49.7474 -25.2998 85.4282 -25.2992 36.0477 137.427 85.4276 137.427 33.1238 GPRESSURE: 3204000 2.73753 10.015 128.269 -100.322 114.248 75.6431 50.3941 213.586 8.6419 PRESSAVG: 3204000 -8.8633 24.4771 13.7063 24.4772 -11.5569 -17.96 13.7063 -17.96 31.7528 GPRESSAVG: 3204000 -10.2848 26.5433 16.5105 20.7476 -10.0746 -19.8587 12.5623 -17.5835 31.516 TIMING: 3204000 CPU: 9543.68, 0.00296231/step Wall: 9543.68, 0.00296231/step, 1.47786 hours remaining, 209.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3204000 762.8628 2032.6199 1925.5258 99.1369 -206199.6852 17807.8789 0.0000 0.0000 34229.0737 -149342.5871 298.9310 -183571.6608 -149242.0206 298.9370 6.4747 41.8757 555902.0781 3.7775 3.7189 PRESSURE: 3204200 7.86378 83.8285 -53.3027 83.8277 -238.874 -122.484 -53.3033 -122.484 -117.527 GPRESSURE: 3204200 30.2812 124.828 -45.4264 25.7965 -219.329 -142.632 -132.742 -102.408 -49.934 PRESSAVG: 3204200 -43.5839 19.7652 71.6288 19.7652 -5.80196 25.9689 71.6288 25.9689 19.3564 GPRESSAVG: 3204200 -42.6283 17.56 68.4127 21.7352 -7.20885 29.9839 73.7337 24.1776 19.7353 TIMING: 3204200 CPU: 9544.27, 0.00295187/step Wall: 9544.27, 0.00295187/step, 1.47249 hours remaining, 209.046875 MB of memory in use. ENERGY: 3204200 749.4806 2043.2588 1940.0177 101.2888 -205696.3987 17539.7843 0.0000 0.0000 33980.7636 -149341.8049 296.7625 -183322.5685 -149247.7304 298.7620 -116.1791 -79.6605 557917.5519 -10.0098 -10.0339 LDB: ============= START OF LOAD BALANCING ============== 9547.82 LDB: ============== END OF LOAD BALANCING =============== 9547.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9547.82 LDB: ============= START OF LOAD BALANCING ============== 9548.12 LDB: Largest compute 4772 load 0.027291 is 23.1% of average load 0.118269 LDB: Average compute 0.001728 is 1.5% of average load 0.118269 LDB: TIME 9548.12 LOAD: AVG 0.118269 MAX 0.196843 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.539 MB LDB: TIME 9548.12 LOAD: AVG 0.118269 MAX 0.196843 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: TIME 9548.12 LOAD: AVG 0.118269 MAX 0.196843 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9548.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9548.12 PRESSURE: 3204400 140.146 82.6756 87.2664 82.675 216.119 -57.5839 87.2665 -57.5826 121.738 GPRESSURE: 3204400 202.29 53.0253 32.1776 119.809 217.979 -21.4378 173.505 -66.6723 164.914 PRESSAVG: 3204400 -16.114 62.6955 38.6999 62.6955 20.5647 3.72385 38.6998 3.72376 -17.946 GPRESSAVG: 3204400 -15.2348 61.5981 41.1812 63.0905 19.3651 1.9906 36.3511 3.59959 -17.4906 TIMING: 3204400 CPU: 9544.87, 0.0029965/step Wall: 9544.87, 0.0029965/step, 1.49459 hours remaining, 207.050781 MB of memory in use. ENERGY: 3204400 746.3753 2052.9641 1925.2610 111.3348 -206529.5272 18131.8821 0.0000 0.0000 34308.7603 -149252.9496 299.6269 -183561.7099 -149156.9475 298.9605 159.3342 195.0610 557999.7757 -4.4985 -4.4534 PRESSURE: 3204600 -350.031 103.236 91.2972 103.238 -223.119 109.897 91.2961 109.896 -83.6077 GPRESSURE: 3204600 -287.965 73.6701 107.246 101.527 -153.567 92.3862 180.913 132.241 -120.265 PRESSAVG: 3204600 -8.87042 43.0208 10.7506 43.0206 -18.8017 -15.6433 10.7506 -15.6434 18.2934 GPRESSAVG: 3204600 -10.8302 44.6788 9.11575 41.9189 -17.6371 -16.4752 12.9581 -13.9356 18.8873 TIMING: 3204600 CPU: 9545.46, 0.00292567/step Wall: 9545.46, 0.00292567/step, 1.4591 hours remaining, 207.050781 MB of memory in use. ENERGY: 3204600 762.1443 2021.1115 1927.7253 98.3681 -205590.4247 17414.7294 0.0000 0.0000 34227.4761 -149138.8700 298.9171 -183366.3461 -149043.1762 298.9477 -218.9190 -187.2656 558278.1145 -3.1262 -3.1933 PRESSURE: 3204800 -97.4971 4.71939 101.079 4.71939 94.3184 -26.2168 101.077 -26.2157 -143.522 GPRESSURE: 3204800 -94.3841 86.0508 176.661 -37.911 84.6203 -77.3619 68.6895 46.8977 -44.1326 PRESSAVG: 3204800 30.884 -0.766521 2.37231 -0.766621 -7.01087 3.84282 2.37236 3.84271 -7.74265 GPRESSAVG: 3204800 31.4968 0.369127 4.00305 -2.15356 -7.33627 2.70216 2.82795 3.00381 -8.28377 TIMING: 3204800 CPU: 9546.05, 0.00293065/step Wall: 9546.05, 0.00293065/step, 1.46142 hours remaining, 207.050781 MB of memory in use. ENERGY: 3204800 722.2043 2105.2453 1933.3519 132.0878 -206227.1888 17855.3267 0.0000 0.0000 34565.5685 -148913.4042 301.8697 -183478.9727 -148809.9983 299.4280 -48.9002 -17.9655 557756.3555 5.3768 5.2923 PRESSURE: 3205000 70.9163 37.763 -11.3191 37.7637 188.904 -211.379 -11.3187 -211.38 -74.0654 GPRESSURE: 3205000 61.4662 23.313 125.558 32.6467 205.121 -298.187 -2.51785 -210.846 10.099 PRESSAVG: 3205000 60.8606 -32.0263 -15.7363 -32.0263 1.49782 -13.0727 -15.7362 -13.0728 -48.063 GPRESSAVG: 3205000 59.517 -33.9334 -16.381 -31.3954 2.40223 -12.7649 -16.1515 -15.0944 -48.0843 TIMING: 3205000 CPU: 9546.63, 0.00291684/step Wall: 9546.63, 0.00291684/step, 1.45437 hours remaining, 207.050781 MB of memory in use. ENERGY: 3205000 768.9314 2109.8637 1954.1973 100.8374 -206114.9916 17917.8176 0.0000 0.0000 34221.9797 -149041.3645 298.8691 -183263.3442 -148947.8524 299.9682 61.9183 92.2287 556718.8884 4.7651 4.6116 PRESSURE: 3205200 152.51 172.956 -57.57 172.955 -241.913 -187.127 -57.5686 -187.127 -231.684 GPRESSURE: 3205200 202.621 204.483 -127.978 145.899 -185.912 -94.2104 -3.99938 -185.672 -236.476 PRESSAVG: 3205200 -9.98598 -30.4494 61.8974 -30.4494 16.2317 -45.999 61.8974 -45.999 1.12581 GPRESSAVG: 3205200 -7.56435 -29.9913 60.1329 -29.9608 13.6006 -45.8492 61.7721 -43.9969 1.09286 TIMING: 3205200 CPU: 9547.22, 0.0029322/step Wall: 9547.22, 0.0029322/step, 1.46187 hours remaining, 207.050781 MB of memory in use. ENERGY: 3205200 732.4553 2062.5632 1939.8791 107.4466 -205589.8034 17439.0150 0.0000 0.0000 34128.3036 -149180.1405 298.0510 -183308.4441 -149073.2147 299.5400 -107.0290 -73.2557 558389.4433 2.4572 2.3764 PRESSURE: 3205400 -401.861 74.2854 -76.9217 74.2859 -177.515 16.7151 -76.9238 16.7147 -373.774 GPRESSURE: 3205400 -316.13 -23.8254 29.311 35.42 -157.768 68.1405 -108.64 -27.7646 -378.226 PRESSAVG: 3205400 47.6922 23.6049 50.4044 23.6048 23.0343 -78.5393 50.4044 -78.5394 -74.0898 GPRESSAVG: 3205400 46.4815 22.728 54.1929 24.5716 24.0449 -76.4728 49.51 -79.8393 -74.3879 TIMING: 3205400 CPU: 9547.8, 0.00293585/step Wall: 9547.8, 0.00293585/step, 1.46352 hours remaining, 207.050781 MB of memory in use. ENERGY: 3205400 786.8230 2095.5089 1909.4904 123.6645 -206002.2492 17537.7772 0.0000 0.0000 34471.7749 -149077.2102 301.0506 -183548.9851 -148976.6441 299.3315 -317.7165 -284.0414 558587.1627 -1.1211 -1.2872 PRESSURE: 3205600 -94.1347 3.13524 -88.7846 3.1364 -50.7703 -100.102 -88.7845 -100.102 -233.379 GPRESSURE: 3205600 -55.0061 -1.99758 -25.2174 -6.73491 -35.3289 -96.1852 -96.9049 -150.918 -202.601 PRESSAVG: 3205600 32.7614 2.45401 38.3624 2.45403 37.2358 -7.67905 38.3625 -7.67901 -58.3323 GPRESSAVG: 3205600 32.1443 3.09766 37.1734 0.00700436 36.7416 -10.8766 39.9936 -7.75346 -57.2545 TIMING: 3205600 CPU: 9548.39, 0.00292736/step Wall: 9548.39, 0.00292736/step, 1.45913 hours remaining, 207.050781 MB of memory in use. ENERGY: 3205600 762.9681 2130.5775 1949.2508 107.7116 -205852.3150 17714.3369 0.0000 0.0000 34266.8313 -148920.6388 299.2608 -183187.4701 -148824.6088 300.5321 -126.0945 -97.6452 558376.3829 3.8883 3.8771 PRESSURE: 3205800 188.871 -43.7925 -7.53782 -43.7916 -196.387 -20.0199 -7.53723 -20.0196 129.662 GPRESSURE: 3205800 197.759 -86.796 17.62 -71.6627 -149.586 -36.4108 14.2411 -57.0209 169.251 PRESSAVG: 3205800 37.3207 -5.4249 -17.3905 -5.42473 -34.8827 -3.55126 -17.3906 -3.55126 47.1918 GPRESSAVG: 3205800 38.1733 -2.94929 -18.5681 -2.89719 -34.0312 0.428302 -18.2115 -4.29087 45.9143 TIMING: 3205800 CPU: 9548.98, 0.00295079/step Wall: 9548.98, 0.00295079/step, 1.47064 hours remaining, 207.050781 MB of memory in use. ENERGY: 3205800 777.6190 2123.1985 1949.3340 106.6874 -205949.0399 17811.8345 0.0000 0.0000 34143.7685 -149036.5980 298.1860 -183180.3665 -148939.4013 300.0137 40.7155 72.4746 556734.7548 16.5433 16.6855 PRESSURE: 3206000 166.214 -59.8376 -158.173 -59.8385 25.6936 154.521 -158.174 154.52 -389.78 GPRESSURE: 3206000 201.626 -51.818 -235.705 -13.7636 1.4158 189.671 -71.858 133.76 -303.605 PRESSAVG: 3206000 112.936 11.5352 -0.389459 11.5352 -104.046 -8.09281 -0.389498 -8.09264 -36.5364 GPRESSAVG: 3206000 112.665 11.0551 0.108625 10.8535 -103.784 -9.53111 1.90673 -8.10948 -35.8843 TIMING: 3206000 CPU: 9549.56, 0.00293298/step Wall: 9549.56, 0.00293298/step, 1.4616 hours remaining, 207.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3206000 724.5324 2036.1470 1947.8517 113.5092 -205924.0898 17558.2709 0.0000 0.0000 34384.2967 -149159.4816 300.2866 -183543.7784 -149057.6133 299.4248 -65.9575 -33.5208 558151.2625 -9.2153 -9.0012 PRESSURE: 3206200 -122.219 39.6923 187.568 39.6917 -99.6285 -82.2733 187.569 -82.2733 -24.401 GPRESSURE: 3206200 -136.144 19.7833 178.198 85.5542 -12.2634 -64.4362 149.285 16.2692 1.65847 PRESSAVG: 3206200 8.25511 -4.63338 -39.6413 -4.63332 -10.8655 -28.6852 -39.6413 -28.685 -14.2029 GPRESSAVG: 3206200 8.21453 -3.55453 -40.3283 -4.56825 -10.9878 -30.6525 -39.1594 -28.0646 -13.9497 TIMING: 3206200 CPU: 9550.16, 0.0029646/step Wall: 9550.16, 0.0029646/step, 1.4772 hours remaining, 207.050781 MB of memory in use. ENERGY: 3206200 737.3376 2114.1667 1943.0102 110.0644 -205898.6569 17806.4896 0.0000 0.0000 34242.8368 -148944.7517 299.0512 -183187.5885 -148843.6064 299.9783 -82.0828 -48.9162 560461.6256 -5.6044 -5.5743 PRESSURE: 3206400 -163.147 22.5737 264.291 22.5744 -216.412 119.394 264.29 119.393 -127.905 GPRESSURE: 3206400 -137.157 4.76208 232.057 16.6419 -175.466 93.9124 275.073 158.863 -100.987 PRESSAVG: 3206400 60.9305 -21.6226 63.1648 -21.6226 27.75 7.4155 63.1647 7.41545 -78.3073 GPRESSAVG: 3206400 60.3164 -24.0726 65.2127 -20.9534 27.604 8.52732 61.0121 6.50121 -78.2461 TIMING: 3206400 CPU: 9550.75, 0.00297181/step Wall: 9550.75, 0.00297181/step, 1.48062 hours remaining, 207.050781 MB of memory in use. ENERGY: 3206400 758.8634 2094.1354 1949.3705 115.1997 -205613.5027 17431.3251 0.0000 0.0000 34346.6301 -148917.9786 299.9577 -183264.6087 -148823.5690 300.5460 -169.1545 -137.8698 558413.0889 3.4577 3.2247 PRESSURE: 3206600 -2.91396 32.2483 46.2675 32.2474 -69.1492 128.376 46.2692 128.377 -227.812 GPRESSURE: 3206600 62.5875 37.7149 19.6963 -21.8307 -66.202 107.586 55.3513 109.832 -190.282 PRESSAVG: 3206600 48.3233 -38.4016 41.1211 -38.4015 22.5307 61.059 41.1211 61.059 -25.4624 GPRESSAVG: 3206600 49.1718 -36.2399 41.0172 -39.0678 22.0199 60.7635 40.8407 61.1173 -26.1075 TIMING: 3206600 CPU: 9551.34, 0.00295429/step Wall: 9551.34, 0.00295429/step, 1.47173 hours remaining, 207.050781 MB of memory in use. ENERGY: 3206600 755.0442 2109.9970 1961.0488 117.1857 -206234.9145 17799.6190 0.0000 0.0000 34382.6790 -149109.3408 300.2725 -183492.0198 -149013.3623 299.7783 -99.9585 -64.6321 558666.3285 15.1305 15.0281 PRESSURE: 3206800 -53.3085 50.0853 -137.093 50.0851 -27.1845 -97.9882 -137.092 -97.9874 -70.1486 GPRESSURE: 3206800 -5.12239 38.4394 -134.691 50.7263 -21.8169 -38.6954 -204.785 -96.2932 -47.1695 PRESSAVG: 3206800 32.8847 -1.67548 -26.4326 -1.67547 -21.3034 3.28415 -26.4325 3.28421 17.7877 GPRESSAVG: 3206800 34.0597 -2.44717 -27.5724 -1.21632 -22.366 3.83883 -24.3351 5.29364 17.0039 TIMING: 3206800 CPU: 9551.93, 0.0029447/step Wall: 9551.93, 0.0029447/step, 1.46679 hours remaining, 207.050781 MB of memory in use. ENERGY: 3206800 736.7639 2124.1360 1983.1133 114.6193 -205721.8029 17660.8494 0.0000 0.0000 34296.6126 -148805.7082 299.5208 -183102.3208 -148699.7644 300.4456 -50.2139 -24.7030 558532.2249 9.7897 9.5659 PRESSURE: 3207000 -121.262 -54.3348 -161.123 -54.3352 -60.1155 -73.855 -161.123 -73.8546 -115.306 GPRESSURE: 3207000 -102.073 25.4893 -108.871 -66.9016 -12.7259 -37.9478 -107.315 -13.8584 -77.6609 PRESSAVG: 3207000 22.2489 19.4168 -3.95164 19.4168 -57.3709 33.1729 -3.95167 33.173 31.7668 GPRESSAVG: 3207000 19.9201 20.0682 -3.455 18.7611 -56.2109 30.6145 -5.07846 33.8902 32.8397 TIMING: 3207000 CPU: 9552.52, 0.0029598/step Wall: 9552.52, 0.0029598/step, 1.47415 hours remaining, 207.050781 MB of memory in use. ENERGY: 3207000 746.0668 2086.0877 1954.6491 128.6840 -205807.3456 17650.9328 0.0000 0.0000 34442.6506 -148798.2746 300.7962 -183240.9252 -148697.4219 300.5275 -98.8944 -64.1532 559296.5561 -1.1184 -1.1504 PRESSURE: 3207200 -78.0409 -269.205 -117.053 -269.206 -175.252 -56.1041 -117.054 -56.1038 98.0103 GPRESSURE: 3207200 -47.4776 -261.84 -91.196 -296.329 -145.053 -44.2342 -134.944 -20.8165 143.108 PRESSAVG: 3207200 -46.1558 -13.2912 3.73318 -13.2912 7.99895 21.166 3.73315 21.1661 18.1307 GPRESSAVG: 3207200 -44.7922 -13.6267 1.81506 -13.3025 9.18443 22.708 3.65678 19.497 15.7917 TIMING: 3207200 CPU: 9553.12, 0.00296308/step Wall: 9553.12, 0.00296308/step, 1.47562 hours remaining, 207.050781 MB of memory in use. ENERGY: 3207200 732.6214 2078.3020 1935.7933 108.1598 -205716.1800 17644.5249 0.0000 0.0000 34471.6895 -148745.0889 301.0498 -183216.7785 -148653.5737 300.2010 -51.7609 -16.4743 557597.5602 -6.6754 -6.6054 PRESSURE: 3207400 -252.773 -12.1701 -71.4771 -12.1701 284.227 45.5259 -71.4767 45.5263 59.1065 GPRESSURE: 3207400 -205.295 -37.9831 5.82256 -40.6602 355.885 4.7139 -124.782 3.68934 29.2778 PRESSAVG: 3207400 53.5443 -23.2731 -30.5657 -23.273 28.0016 -33.1542 -30.5656 -33.1541 -27.9186 GPRESSAVG: 3207400 53.0787 -24.2137 -30.423 -21.4943 26.8873 -32.9006 -31.8569 -30.9303 -26.0818 TIMING: 3207400 CPU: 9553.7, 0.00293906/step Wall: 9553.7, 0.00293906/step, 1.46349 hours remaining, 207.050781 MB of memory in use. ENERGY: 3207400 761.7151 2095.7871 1971.9103 107.2628 -206152.7880 17925.4452 0.0000 0.0000 34567.7587 -148722.9088 301.8888 -183290.6675 -148619.2341 300.7193 30.1869 59.9557 558193.2838 17.8758 17.9614 PRESSURE: 3207600 88.0045 71.1711 9.87058 71.171 -107.693 -31.1516 9.87243 -31.151 34.3251 GPRESSURE: 3207600 83.9461 -1.1603 -94.5415 96.5984 -20.3256 30.7182 187.992 -56.9117 42.0041 PRESSAVG: 3207600 53.7057 -27.5402 13.5447 -27.5401 -16.7783 2.72665 13.5447 2.72667 -74.5748 GPRESSAVG: 3207600 53.5972 -27.1054 14.9328 -27.654 -17.6783 3.03797 14.2463 0.5931 -74.2456 TIMING: 3207600 CPU: 9554.3, 0.00295625/step Wall: 9554.3, 0.00295625/step, 1.47188 hours remaining, 207.050781 MB of memory in use. ENERGY: 3207600 739.1259 2085.5564 1967.5956 114.1654 -206238.6129 17931.1704 0.0000 0.0000 34503.7748 -148897.2244 301.3300 -183400.9992 -148797.5496 300.9730 4.8789 35.2082 558847.2470 -12.5491 -12.7755 PRESSURE: 3207800 37.9159 20.5321 -111.034 20.5327 5.51557 -2.91664 -111.037 -2.91627 26.8371 GPRESSURE: 3207800 92.5932 35.5599 -36.5834 -5.36528 25.7059 16.3429 -144.699 -28.7191 53.1139 PRESSAVG: 3207800 13.0743 -59.5085 41.3101 -59.5085 -43.7921 41.5975 41.31 41.5975 25.391 GPRESSAVG: 3207800 12.4712 -59.4801 40.4592 -59.6779 -42.8958 43.2493 40.0797 41.844 25.3174 TIMING: 3207800 CPU: 9554.89, 0.00295406/step Wall: 9554.89, 0.00295406/step, 1.47063 hours remaining, 207.050781 MB of memory in use. ENERGY: 3207800 740.1025 2027.6745 1949.5868 112.6967 -205815.3234 17879.3661 0.0000 0.0000 34182.3886 -148923.5082 298.5233 -183105.8968 -148829.3082 299.8242 23.4228 57.1377 558051.4346 -1.7756 -1.7024 PRESSURE: 3208000 -196.303 -143.727 -53.7179 -143.726 -236.443 35.4339 -53.7173 35.4343 -13.7425 GPRESSURE: 3208000 -135.925 -133.331 -40.4794 -207.754 -184.705 27.0822 -62.4267 73.5964 -26.296 PRESSAVG: 3208000 -23.7553 -17.0873 -16.1942 -17.0872 0.545199 11.1546 -16.1942 11.1546 -4.66831 GPRESSAVG: 3208000 -23.7009 -15.4108 -16.5989 -17.8298 0.249556 8.82238 -13.588 11.1621 -4.97545 TIMING: 3208000 CPU: 9555.48, 0.00296604/step Wall: 9555.48, 0.00296604/step, 1.47643 hours remaining, 207.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3208000 745.7687 2025.6758 1952.1644 111.6359 -205818.0088 17564.8697 0.0000 0.0000 34425.8536 -148992.0407 300.6495 -183417.8943 -148889.0080 299.5413 -148.8295 -115.6421 557942.0146 -9.2928 -9.4756 PRESSURE: 3208200 -29.1633 12.1762 79.3565 12.1775 84.8003 26.8683 79.3556 26.8697 -158.977 GPRESSURE: 3208200 29.6638 2.5368 85.0679 39.224 70.839 63.2564 9.70174 20.5251 -115.171 PRESSAVG: 3208200 25.4873 -14.9628 1.72027 -14.9627 37.0869 25.2122 1.72028 25.2123 -52.9181 GPRESSAVG: 3208200 25.8359 -15.5156 2.20604 -15.4959 36.6393 26.5547 0.0519768 23.7717 -52.7757 TIMING: 3208200 CPU: 9556.07, 0.0029623/step Wall: 9556.07, 0.0029623/step, 1.4744 hours remaining, 207.050781 MB of memory in use. ENERGY: 3208200 780.8627 2063.6039 1944.5518 106.5704 -205831.0166 17804.2217 0.0000 0.0000 34160.5588 -148970.6473 298.3327 -183131.2061 -148875.5451 299.3988 -34.4467 -4.8895 557753.1620 3.2187 3.2332 LDB: ============= START OF LOAD BALANCING ============== 9559.61 LDB: ============== END OF LOAD BALANCING =============== 9559.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9559.62 LDB: ============= START OF LOAD BALANCING ============== 9559.91 LDB: Largest compute 4772 load 0.027367 is 23.1% of average load 0.118276 LDB: Average compute 0.001733 is 1.5% of average load 0.118276 LDB: TIME 9559.91 LOAD: AVG 0.118276 MAX 0.196938 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.242 MB LDB: TIME 9559.92 LOAD: AVG 0.118276 MAX 0.196938 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 9559.92 LOAD: AVG 0.118276 MAX 0.196938 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: ============== END OF LOAD BALANCING =============== 9559.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9559.92 PRESSURE: 3208400 139.854 -116.91 -28.4109 -116.911 149.072 -32.3463 -28.4099 -32.3463 -172.693 GPRESSURE: 3208400 194.81 -160.364 71.4991 -162.198 186.874 -52.3576 -12.528 -24.5489 -165.339 PRESSAVG: 3208400 60.5614 -40.9157 -25.6404 -40.9156 9.73433 -37.0551 -25.6404 -37.0549 -78.789 GPRESSAVG: 3208400 59.9165 -43.6913 -24.1576 -39.4189 10.1842 -36.8862 -25.8982 -34.8859 -78.4801 TIMING: 3208400 CPU: 9556.67, 0.00299986/step Wall: 9556.67, 0.00299986/step, 1.49293 hours remaining, 207.246094 MB of memory in use. ENERGY: 3208400 772.7117 2049.9234 1960.2034 117.8054 -206249.5969 17954.9427 0.0000 0.0000 34292.4913 -149101.5189 299.4849 -183394.0103 -149004.8187 300.1705 38.7441 72.1153 558364.0750 -2.8311 -2.7931 PRESSURE: 3208600 235.41 -163.325 54.2454 -163.325 -298.987 -124.536 54.2445 -124.537 -149.579 GPRESSURE: 3208600 181.608 -185.139 111.088 -83.6474 -205.653 -82.4158 -32.9522 -105.212 -85.3809 PRESSAVG: 3208600 -6.33097 21.5737 4.66084 21.5737 76.3912 10.3978 4.66086 10.3978 -88.0971 GPRESSAVG: 3208600 -5.42924 22.433 4.27446 20.3744 76.4568 10.5019 4.45386 8.27332 -89.3648 TIMING: 3208600 CPU: 9557.26, 0.00294614/step Wall: 9557.26, 0.00294615/step, 1.46603 hours remaining, 207.449219 MB of memory in use. ENERGY: 3208600 762.8837 2045.3366 1953.3297 113.5362 -205931.2248 17609.5324 0.0000 0.0000 34338.8931 -149107.7132 299.8901 -183446.6063 -149009.9892 299.5540 -71.0519 -36.4755 557462.9736 -6.0123 -6.1124 PRESSURE: 3208800 254.143 86.169 -5.40918 86.17 145.407 -72.9554 -5.40819 -72.9539 47.625 GPRESSURE: 3208800 309.857 87.8577 49.2017 155.866 123.423 -74.0897 -46.1291 -105.641 109.489 PRESSAVG: 3208800 25.2091 -53.6645 16.9169 -53.6646 30.6521 -1.37623 16.9169 -1.37627 -66.5238 GPRESSAVG: 3208800 23.9477 -52.596 16.9992 -54.6984 31.6782 -1.26111 18.3123 -0.47292 -66.4633 TIMING: 3208800 CPU: 9557.85, 0.00293817/step Wall: 9557.85, 0.00293817/step, 1.4619 hours remaining, 207.449219 MB of memory in use. ENERGY: 3208800 744.1382 2091.2480 1926.8274 128.4104 -206349.8615 17948.2241 0.0000 0.0000 34246.0016 -149265.0119 299.0788 -183511.0134 -149166.8704 299.1364 149.0581 180.9230 556553.0576 -3.5542 -3.6125 PRESSURE: 3209000 91.8453 -107.507 91.7615 -107.506 92.4343 30.988 91.7623 30.9873 -45.6452 GPRESSURE: 3209000 144.336 -78.8136 91.1692 -95.5071 76.6027 63.7428 83.7153 57.5125 13.5476 PRESSAVG: 3209000 19.8382 -21.0426 23.1032 -21.0425 37.2665 25.694 23.1031 25.6941 -39.0551 GPRESSAVG: 3209000 19.325 -20.183 23.0152 -21.4539 36.3283 23.4525 21.7284 25.4175 -38.0627 TIMING: 3209000 CPU: 9558.44, 0.002932/step Wall: 9558.44, 0.002932/step, 1.45867 hours remaining, 207.449219 MB of memory in use. ENERGY: 3209000 772.3540 2073.6614 1956.7130 117.5842 -206183.0276 18010.9931 0.0000 0.0000 34194.0131 -149057.7088 298.6248 -183251.7219 -148961.7910 299.1599 46.2115 78.1622 556767.7283 6.0165 5.8635 PRESSURE: 3209200 -35.647 74.4247 32.0843 74.4235 219.288 88.6122 32.0832 88.6112 -57.4523 GPRESSURE: 3209200 39.9312 44.5657 63.8536 126.419 223.351 116.87 65.7264 18.9376 -38.9925 PRESSAVG: 3209200 64.651 -16.091 28.6036 -16.091 15.4357 -0.913904 28.6036 -0.913857 -85.1042 GPRESSAVG: 3209200 66.0012 -20.1633 28.7721 -12.6691 13.8694 0.834275 28.2252 0.111442 -85.1862 TIMING: 3209200 CPU: 9559.02, 0.00294043/step Wall: 9559.02, 0.00294043/step, 1.4627 hours remaining, 207.449219 MB of memory in use. ENERGY: 3209200 707.9055 2111.1282 1955.1467 117.0293 -205817.9093 17691.4661 0.0000 0.0000 34193.0607 -149042.1726 298.6165 -183235.2334 -148943.5112 300.1694 42.0629 74.7632 557551.7570 -1.6725 -1.7719 PRESSURE: 3209400 -83.79 148.01 77.9508 148.011 -184.876 96.2243 77.9511 96.2254 -45.8756 GPRESSURE: 3209400 -28.4711 64.5022 56.6813 122.277 -185.552 57.6653 86.0145 149.21 -8.78049 PRESSAVG: 3209400 85.9975 4.15077 -4.08869 4.15076 -45.0171 24.6827 -4.08883 24.6827 -29.4195 GPRESSAVG: 3209400 85.6561 5.17619 -4.18842 2.0156 -45.2514 23.7936 -3.30404 22.7173 -29.5701 TIMING: 3209400 CPU: 9559.61, 0.00292593/step Wall: 9559.61, 0.00292593/step, 1.45533 hours remaining, 207.449219 MB of memory in use. ENERGY: 3209400 769.0057 2190.3567 1932.2841 124.7112 -206041.1618 17630.6671 0.0000 0.0000 34350.7104 -149043.4267 299.9933 -183394.1371 -148945.4631 299.9498 -104.8471 -74.2680 557495.6609 3.8536 3.6116 PRESSURE: 3209600 -258.551 64.2438 -50.1184 64.2423 -137.353 -22.9098 -50.1179 -22.9109 -479.793 GPRESSURE: 3209600 -223.078 13.728 13.793 102.476 -91.0745 56.6436 -143.775 69.9803 -469.417 PRESSAVG: 3209600 30.7513 38.476 -1.73944 38.4761 -34.9529 -9.2816 -1.73942 -9.28168 29.4829 GPRESSAVG: 3209600 29.6915 41.0983 -1.70534 38.7344 -33.9998 -6.83778 -2.65122 -6.5101 29.5032 TIMING: 3209600 CPU: 9560.2, 0.00293404/step Wall: 9560.2, 0.00293404/step, 1.45919 hours remaining, 207.449219 MB of memory in use. ENERGY: 3209600 760.6750 2125.2688 1956.4558 119.0758 -205684.8045 17434.9514 0.0000 0.0000 34293.0075 -148995.3703 299.4894 -183288.3778 -148898.2415 299.8885 -291.8991 -261.1898 557981.6060 8.4271 8.3983 PRESSURE: 3209800 -88.307 -31.8521 -55.8839 -31.8517 84.545 151.977 -55.8838 151.977 -79.9619 GPRESSURE: 3209800 -58.9537 -41.6603 -135.014 10.083 103.622 181.267 -70.5134 153.973 -46.4334 PRESSAVG: 3209800 45.2211 19.4042 -62.2842 19.4041 -31.989 16.6943 -62.2842 16.6942 29.2081 GPRESSAVG: 3209800 44.123 18.1659 -61.0489 18.0435 -31.0398 15.7413 -62.2375 15.6091 29.1756 TIMING: 3209800 CPU: 9560.79, 0.00296452/step Wall: 9560.79, 0.00296452/step, 1.47419 hours remaining, 207.449219 MB of memory in use. ENERGY: 3209800 736.8450 2109.3887 1928.8494 111.0554 -206011.1264 17821.4650 0.0000 0.0000 34196.3396 -149107.1832 298.6451 -183303.5228 -149008.1456 300.0084 -27.9080 -0.5883 558721.9871 14.1468 14.0863 PRESSURE: 3210000 205.679 57.1889 -89.8673 57.1872 121.925 -172.964 -89.8675 -172.964 200.81 GPRESSURE: 3210000 209.435 82.9421 -109.29 86.4372 222.803 -229.504 -116.169 -159.211 209.772 PRESSAVG: 3210000 -40.1072 -18.3326 -43.0435 -18.3326 -2.28464 -0.257803 -43.0435 -0.257767 3.60655 GPRESSAVG: 3210000 -39.6106 -18.6099 -43.9959 -17.8329 -1.45843 0.471735 -42.1715 0.67419 1.8527 TIMING: 3210000 CPU: 9561.38, 0.00297881/step Wall: 9561.38, 0.00297881/step, 1.48113 hours remaining, 207.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3210000 729.0720 2110.3427 1948.2209 115.6734 -206331.9951 17989.1205 0.0000 0.0000 34168.7731 -149270.7925 298.4044 -183439.5656 -149170.4127 299.1036 176.1378 214.0035 556381.1147 -12.9284 -13.0721 PRESSURE: 3210200 -143.228 28.0128 83.3109 28.0136 53.517 129.31 83.3103 129.311 79.8179 GPRESSURE: 3210200 -77.1751 -73.3579 90.8761 130.046 8.82563 133.128 90.901 99.216 161.373 PRESSAVG: 3210200 52.8602 28.6287 -53.9295 28.6287 -24.2852 30.1795 -53.9295 30.1795 0.60093 GPRESSAVG: 3210200 54.1358 28.3182 -54.1752 26.7081 -26.4433 28.1612 -53.7213 28.4045 1.95704 TIMING: 3210200 CPU: 9561.97, 0.00294441/step Wall: 9561.97, 0.00294441/step, 1.46386 hours remaining, 207.449219 MB of memory in use. ENERGY: 3210200 762.3309 2120.5837 1938.1215 109.6789 -206240.4461 17868.5769 0.0000 0.0000 34019.0321 -149422.1222 297.0967 -183441.1543 -149324.4393 299.4065 -3.2977 31.0077 558719.2688 9.7253 9.8832 PRESSURE: 3210400 -164.237 -172.372 64.8386 -172.372 -97.8977 -111.467 64.8393 -111.465 -135.743 GPRESSURE: 3210400 -103.251 -92.5134 37.2882 -172.593 -115.862 -120.792 82.1335 -64.384 -95.1231 PRESSAVG: 3210400 -48.4139 3.94288 3.02322 3.94296 63.549 53.2558 3.02326 53.2557 24.9838 GPRESSAVG: 3210400 -48.2656 6.09904 3.66617 6.43257 63.5559 54.8871 2.90037 54.1306 24.8335 TIMING: 3210400 CPU: 9562.56, 0.00292986/step Wall: 9562.56, 0.00292986/step, 1.45647 hours remaining, 207.449219 MB of memory in use. ENERGY: 3210400 756.3699 2110.5724 1959.4251 108.5197 -206001.4124 17570.0370 0.0000 0.0000 34300.4190 -149196.0693 299.5541 -183496.4883 -149099.2589 298.9817 -132.6259 -104.7453 559565.5520 13.3730 13.3746 PRESSURE: 3210600 50.8811 55.3146 32.812 55.3164 342.569 101.43 32.8119 101.431 24.5969 GPRESSURE: 3210600 57.034 96.7003 86.8592 40.1992 337.963 102.315 -58.4422 111.786 121.926 PRESSAVG: 3210600 -30.8543 -52.4111 -65.2466 -52.4111 -7.16884 6.01793 -65.2466 6.01788 31.4674 GPRESSAVG: 3210600 -31.0544 -55.8615 -65.3125 -52.6858 -7.43526 4.73904 -65.4766 5.29492 31.8702 TIMING: 3210600 CPU: 9563.14, 0.00291769/step Wall: 9563.14, 0.00291769/step, 1.45026 hours remaining, 207.449219 MB of memory in use. ENERGY: 3210600 733.8932 2072.0256 1930.7780 123.2287 -206364.6795 17949.3815 0.0000 0.0000 34151.6131 -149403.7594 298.2545 -183555.3725 -149307.0161 299.3628 139.3488 172.3078 557567.9794 -2.1853 -2.2065 PRESSURE: 3210800 -205.015 133.032 38.0877 133.032 -155.085 87.5637 38.0876 87.5633 -52.9268 GPRESSURE: 3210800 -166.87 172.543 41.0565 54.4043 -74.2411 120.458 85.8514 40.6461 -74.5137 PRESSAVG: 3210800 -22.551 23.0949 -24.1111 23.0948 15.5536 19.1246 -24.1111 19.1246 50.5492 GPRESSAVG: 3210800 -22.5381 24.8983 -23.944 23.8874 16.8499 19.0781 -24.9177 18.3969 49.3091 TIMING: 3210800 CPU: 9563.72, 0.00291258/step Wall: 9563.72, 0.00291258/step, 1.44755 hours remaining, 207.449219 MB of memory in use. ENERGY: 3210800 743.3521 2039.3600 1967.5966 118.9555 -206512.8263 17796.8763 0.0000 0.0000 34279.6701 -149567.0158 299.3729 -183846.6858 -149468.8882 298.8683 -137.6756 -105.2083 557981.3830 14.5173 14.5403 PRESSURE: 3211000 -5.2192 129.529 -24.4853 129.53 74.806 -51.2258 -24.4863 -51.2258 -76.4662 GPRESSURE: 3211000 4.10861 109.313 -13.2445 64.0982 63.976 -142.685 -57.3278 98.652 25.6393 PRESSAVG: 3211000 5.91404 -30.4013 -12.9103 -30.4013 -41.2034 20.3703 -12.9103 20.3702 85.3707 GPRESSAVG: 3211000 5.89833 -32.0337 -13.5252 -30.6884 -42.3089 20.6271 -12.8153 21.9894 86.3125 TIMING: 3211000 CPU: 9564.31, 0.00292032/step Wall: 9564.31, 0.00292032/step, 1.45124 hours remaining, 207.449219 MB of memory in use. ENERGY: 3211000 739.7091 2051.9915 1909.4764 114.8137 -206344.5110 17743.0165 0.0000 0.0000 34216.5821 -149568.9216 298.8219 -183785.5037 -149476.7945 298.5669 -2.2931 31.2413 557426.5725 16.6938 16.6340 PRESSURE: 3211200 108.15 167.066 -68.833 167.067 11.5773 146.913 -68.8335 146.912 129.461 GPRESSURE: 3211200 147.376 150.146 -62.292 104.621 40.4911 97.8311 -113.479 86.8475 170.751 PRESSAVG: 3211200 -24.3041 20.4717 -19.8905 20.4716 32.2375 16.9878 -19.8904 16.9878 12.2803 GPRESSAVG: 3211200 -24.5739 19.9089 -18.8717 20.8559 32.9977 17.393 -19.4518 15.8541 11.8957 TIMING: 3211200 CPU: 9564.89, 0.00291143/step Wall: 9564.89, 0.00291143/step, 1.44666 hours remaining, 207.449219 MB of memory in use. ENERGY: 3211200 771.0009 2058.2271 1934.1601 98.8192 -206392.0417 17971.4831 0.0000 0.0000 34200.2230 -149358.1281 298.6791 -183558.3512 -149261.2576 298.9885 83.0628 119.5393 557445.9942 6.7379 6.7732 PRESSURE: 3211400 -122.37 -59.089 -187.876 -59.0886 88.5474 -176.05 -187.875 -176.048 -23.3205 GPRESSURE: 3211400 -100.748 -14.5885 -114.621 -127.47 189.45 -191.98 -193.949 -171.74 -52.8002 PRESSAVG: 3211400 8.05509 6.94229 -12.6344 6.94236 9.83446 32.5407 -12.6343 32.5408 22.3193 GPRESSAVG: 3211400 8.72767 10.744 -12.8247 4.61607 9.94389 30.6659 -13.9199 33.6766 21.954 TIMING: 3211400 CPU: 9565.47, 0.0029038/step Wall: 9565.47, 0.0029038/step, 1.4427 hours remaining, 207.449219 MB of memory in use. ENERGY: 3211400 759.5089 2087.6329 1938.9485 127.5692 -206322.2136 17889.9871 0.0000 0.0000 34155.8651 -149362.7019 298.2917 -183518.5670 -149270.0183 298.2897 -19.0478 11.9671 557610.9269 13.4030 13.5418 PRESSURE: 3211600 46.6439 18.8822 17.9328 18.8831 -33.5899 -22.2368 17.9323 -22.2374 86.8707 GPRESSURE: 3211600 97.187 -6.66408 82.4258 41.2023 -19.1767 -32.7555 -73.7203 -98.4431 125.847 PRESSAVG: 3211600 -1.7753 -62.8117 53.6197 -62.8117 -1.15896 3.27259 53.6196 3.27271 -12.5309 GPRESSAVG: 3211600 -2.70557 -65.1118 54.8684 -62.1783 -0.60725 4.10344 53.9424 5.62373 -11.9766 TIMING: 3211600 CPU: 9566.05, 0.00291077/step Wall: 9566.05, 0.00291077/step, 1.446 hours remaining, 207.449219 MB of memory in use. ENERGY: 3211600 698.3162 2083.8622 1939.3570 106.7615 -206007.5170 17706.1897 0.0000 0.0000 34113.6072 -149359.4232 297.9226 -183473.0303 -149264.6735 298.5691 33.3082 67.9524 557290.4381 -5.1551 -5.0965 PRESSURE: 3211800 -151.762 9.5334 -43.1804 9.53426 6.46887 -85.1679 -43.1804 -85.1668 -77.8569 GPRESSURE: 3211800 -126.573 49.5094 -76.0807 49.7859 35.7808 -19.7519 66.6222 -54.5043 -34.2127 PRESSAVG: 3211800 -25.5768 -30.8834 32.1684 -30.8834 9.51008 20.6556 32.1685 20.6556 25.8258 GPRESSAVG: 3211800 -24.4342 -30.7577 30.4219 -29.3021 9.56339 21.3615 32.1674 16.8779 24.5281 TIMING: 3211800 CPU: 9566.64, 0.002918/step Wall: 9566.64, 0.00291799/step, 1.44943 hours remaining, 207.449219 MB of memory in use. ENERGY: 3211800 696.1649 2149.5257 1939.1277 114.7790 -205996.4924 17690.1786 0.0000 0.0000 34109.2386 -149297.4778 297.8845 -183406.7164 -149202.7477 298.8371 -74.3835 -41.6684 557793.3340 3.2530 3.2191 PRESSURE: 3212000 -289.773 -57.2393 -20.4466 -57.2405 -167.124 53.5475 -20.4472 53.5488 220.36 GPRESSURE: 3212000 -224.926 -49.8082 24.5838 9.15389 -164.678 83.6525 7.40583 69.8674 254.59 PRESSAVG: 3212000 6.38502 -24.8492 -13.0486 -24.8492 22.7803 11.3923 -13.0486 11.3923 7.8708 GPRESSAVG: 3212000 7.97179 -23.5423 -12.4194 -27.084 21.3721 9.33887 -10.5701 14.566 7.4883 TIMING: 3212000 CPU: 9567.22, 0.00293002/step Wall: 9567.22, 0.00293002/step, 1.45524 hours remaining, 207.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3212000 741.1104 2103.9520 1936.5344 104.8006 -206138.9313 17782.4557 0.0000 0.0000 34122.1869 -149347.8912 297.9975 -183470.0781 -149243.1470 298.8593 -78.8455 -45.0047 558726.0436 12.3454 12.2774 PRESSURE: 3212200 -43.9286 211.359 -19.1014 211.359 -100.638 105.442 -19.1 105.441 117.93 GPRESSURE: 3212200 -26.5562 202.802 -62.8473 224.49 -30.2639 47.03 -3.64245 156.268 119.776 PRESSAVG: 3212200 23.9556 34.601 -40.4191 34.6011 -72.721 23.9846 -40.4192 23.9846 23.1419 GPRESSAVG: 3212200 20.6137 33.7019 -39.4285 36.3005 -71.9879 26.697 -43.2978 22.3203 25.648 TIMING: 3212200 CPU: 9567.81, 0.0029275/step Wall: 9567.81, 0.0029275/step, 1.45383 hours remaining, 207.449219 MB of memory in use. ENERGY: 3212200 752.5530 2060.9958 1945.8233 112.4679 -206442.6121 17862.5100 0.0000 0.0000 34447.1590 -149261.1030 300.8356 -183708.2620 -149163.1146 298.9171 -8.8789 20.9853 558342.0253 -8.5412 -8.5754 LDB: ============= START OF LOAD BALANCING ============== 9571.36 LDB: ============== END OF LOAD BALANCING =============== 9571.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9571.36 LDB: ============= START OF LOAD BALANCING ============== 9571.65 LDB: Largest compute 4772 load 0.027083 is 22.9% of average load 0.118127 LDB: Average compute 0.001727 is 1.5% of average load 0.118127 LDB: TIME 9571.65 LOAD: AVG 0.118127 MAX 0.195927 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.934 MB LDB: TIME 9571.65 LOAD: AVG 0.118127 MAX 0.195927 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.016 MB LDB: TIME 9571.65 LOAD: AVG 0.118127 MAX 0.195927 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.016 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9571.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9571.66 PRESSURE: 3212400 -223.447 70.2147 147.187 70.2136 256.752 91.0291 147.188 91.0304 95.8613 GPRESSURE: 3212400 -162.791 10.7468 63.6261 11.685 245.109 69.5746 179.967 64.0211 150.21 PRESSAVG: 3212400 -2.64189 19.8411 42.1378 19.8412 54.8537 -10.2536 42.1378 -10.2537 -30.6382 GPRESSAVG: 3212400 -0.0567094 20.4165 42.2937 18.3358 54.1223 -12.4279 44.0568 -8.10335 -31.5945 TIMING: 3212400 CPU: 9568.41, 0.00300286/step Wall: 9568.41, 0.00300286/step, 1.49109 hours remaining, 206.703125 MB of memory in use. ENERGY: 3212400 744.4360 2055.0389 1945.7231 113.9043 -206146.7517 17897.3840 0.0000 0.0000 34188.8793 -149201.3862 298.5800 -183390.2654 -149108.2061 298.4949 43.0553 77.5091 558438.9486 7.1912 7.4904 PRESSURE: 3212600 200.604 105.197 34.7296 105.197 361.549 53.9059 34.729 53.9065 -46.5392 GPRESSURE: 3212600 232.898 82.3155 99.464 74.2074 342.852 36.4741 86.1339 109.875 43.3891 PRESSAVG: 3212600 -112.057 6.8539 32.5859 6.85386 107.06 50.3874 32.586 50.3874 -37.4335 GPRESSAVG: 3212600 -112.143 6.46976 29.8107 6.63173 107.431 51.5034 31.3667 51.3128 -37.605 TIMING: 3212600 CPU: 9569, 0.00293082/step Wall: 9569, 0.00293082/step, 1.45515 hours remaining, 206.703125 MB of memory in use. ENERGY: 3212600 744.2794 2038.3290 1905.1161 114.6050 -206353.5875 18139.6198 0.0000 0.0000 34093.2925 -149318.3457 297.7452 -183411.6382 -149221.8306 298.3731 171.8714 206.3799 558587.4214 -14.1436 -14.1060 PRESSURE: 3212800 -241.389 23.6798 -5.86434 23.6797 -314.415 61.4284 -5.86449 61.4286 -213.131 GPRESSURE: 3212800 -221.543 -59.8473 25.5504 87.9349 -237.883 -26.0681 -33.2624 54.735 -216.975 PRESSAVG: 3212800 1.37862 51.0341 -21.4181 51.0342 29.6005 -6.83939 -21.4181 -6.83939 -33.8512 GPRESSAVG: 3212800 0.9579 51.691 -20.2019 51.5145 30.0396 -8.01806 -21.7415 -10.678 -33.8992 TIMING: 3212800 CPU: 9569.58, 0.00292008/step Wall: 9569.58, 0.00292008/step, 1.44966 hours remaining, 206.703125 MB of memory in use. ENERGY: 3212800 760.4199 2027.7912 1926.4835 108.3917 -205952.2455 17549.0087 0.0000 0.0000 34263.3210 -149316.8295 299.2301 -183580.1505 -149218.0839 298.3957 -256.3118 -225.4668 558412.5038 -0.9573 -0.9672 PRESSURE: 3213000 -150.864 40.2169 46.5523 40.2175 -162.655 -68.2683 46.5526 -68.2689 -147.886 GPRESSURE: 3213000 -81.2305 89.2842 72.5851 -11.122 -136.019 -80.0846 -2.23184 -68.4897 -140.419 PRESSAVG: 3213000 45.4106 -42.253 8.01821 -42.2531 48.4835 35.8967 8.01815 35.8966 -20.5281 GPRESSAVG: 3213000 45.6142 -43.3097 6.64255 -41.806 46.9843 36.2903 8.49648 38.1682 -19.3697 TIMING: 3213000 CPU: 9570.17, 0.00292646/step Wall: 9570.17, 0.00292646/step, 1.45266 hours remaining, 206.703125 MB of memory in use. ENERGY: 3213000 734.3944 2040.2518 1912.2247 104.7440 -206143.4722 17519.0211 0.0000 0.0000 34506.0229 -149326.8134 301.3497 -183832.8364 -149231.5651 299.7008 -153.8017 -119.2230 556788.0806 24.4553 24.4096 PRESSURE: 3213200 -323.955 30.4966 -13.6395 30.4961 -126.815 45.586 -13.6398 45.5866 -13.5225 GPRESSURE: 3213200 -226.046 -38.6706 -45.1924 35.1355 -118.708 21.4193 -110.031 5.15021 -28.1885 PRESSAVG: 3213200 -28.7573 -13.4558 -27.6383 -13.4558 -38.4722 10.8598 -27.6383 10.8598 70.7857 GPRESSAVG: 3213200 -28.4401 -13.0724 -26.1772 -11.9337 -37.5416 11.378 -25.8741 8.46513 69.4601 TIMING: 3213200 CPU: 9570.76, 0.0029755/step Wall: 9570.76, 0.0029755/step, 1.47684 hours remaining, 206.703125 MB of memory in use. ENERGY: 3213200 746.0418 2070.4239 1933.1040 113.5320 -206068.8803 17628.4164 0.0000 0.0000 34464.7104 -149112.6517 300.9889 -183577.3621 -149009.5870 299.6446 -154.7644 -124.3141 557651.9745 1.1854 1.1595 PRESSURE: 3213400 -234.909 12.4216 46.393 12.4215 -61.7021 -3.50959 46.3952 -3.51093 -154.734 GPRESSURE: 3213400 -175.772 -26.533 147.199 62.2612 -70.1416 64.7065 -59.2484 -13.5425 -108.382 PRESSAVG: 3213400 -6.62978 -2.45888 24.0553 -2.45879 -35.4408 8.13172 24.0553 8.1316 19.3338 GPRESSAVG: 3213400 -6.56446 -2.26612 23.2315 -4.2254 -34.9023 8.32327 23.0981 9.98199 19.1716 TIMING: 3213400 CPU: 9571.36, 0.00297606/step Wall: 9571.36, 0.00297606/step, 1.47695 hours remaining, 206.703125 MB of memory in use. ENERGY: 3213400 741.1247 2118.0310 1911.3649 106.8381 -205953.6312 17617.0392 0.0000 0.0000 34284.1757 -149175.0575 299.4122 -183459.2332 -149077.4577 299.7763 -150.4484 -118.0983 558453.4241 -7.5789 -7.4317 PRESSURE: 3213600 231.254 212.224 31.3539 212.223 81.6263 -134.746 31.3536 -134.746 174.509 GPRESSURE: 3213600 280.086 230.897 -30.2679 218.593 108.597 -63.8195 96.3813 -176.099 203.687 PRESSAVG: 3213600 24.9388 46.4759 25.8027 46.4758 33.6552 2.12661 25.8027 2.12671 -3.51547 GPRESSAVG: 3213600 23.9697 47.4824 25.5277 46.7706 33.6725 2.37111 26.5337 1.68575 -2.53916 TIMING: 3213600 CPU: 9571.95, 0.00299026/step Wall: 9571.95, 0.00299026/step, 1.48384 hours remaining, 206.703125 MB of memory in use. ENERGY: 3213600 738.2704 2114.2943 1912.0003 112.1289 -206440.2339 18066.0159 0.0000 0.0000 34144.6918 -149352.8322 298.1941 -183497.5240 -149255.8786 299.0653 162.4632 197.4567 556628.8299 18.3595 18.3677 PRESSURE: 3213800 -81.0166 -21.4807 -12.1297 -21.4793 8.87098 177.141 -12.1286 177.142 -5.43394 GPRESSURE: 3213800 1.68352 29.1285 -27.3075 14.3939 30.9202 183.022 -64.701 122.464 -11.7558 PRESSAVG: 3213800 42.8193 19.4998 24.4072 19.4997 -32.5468 6.33958 24.4073 6.33956 -10.8453 GPRESSAVG: 3213800 44.2226 19.1307 23.8994 19.0856 -33.4141 5.8663 23.9587 6.82427 -10.8766 TIMING: 3213800 CPU: 9572.55, 0.00295792/step Wall: 9572.55, 0.00295792/step, 1.46762 hours remaining, 206.703125 MB of memory in use. ENERGY: 3213800 737.0589 2123.6069 1897.3935 104.3314 -206299.0877 17796.0908 0.0000 0.0000 34238.4292 -149402.1770 299.0127 -183640.6062 -149307.0395 298.1238 -25.8599 6.9493 557887.5913 -0.1909 -0.0227 PRESSURE: 3214000 11.3669 58.6818 -101.982 58.6823 -285.498 112.339 -101.983 112.338 -102.704 GPRESSURE: 3214000 1.85769 11.9108 -140.274 -113.08 -243.864 37.3221 -85.346 85.8839 -35.5354 PRESSAVG: 3214000 10.4021 20.1614 -13.6547 20.1614 -63.816 13.9897 -13.6548 13.9897 9.08979 GPRESSAVG: 3214000 10.5611 19.8601 -11.5358 19.6742 -63.0252 13.3017 -15.1103 15.4609 8.62092 TIMING: 3214000 CPU: 9573.13, 0.00293072/step Wall: 9573.13, 0.00293072/step, 1.45396 hours remaining, 206.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3214000 756.3448 2100.7138 1902.4214 104.2013 -206543.3351 17732.1042 0.0000 0.0000 34312.3533 -149635.1963 299.6583 -183947.5497 -149542.4214 298.3908 -125.6116 -92.5141 557148.9511 -14.7747 -14.6144 PRESSURE: 3214200 -10.6094 234.812 -111.357 234.811 167.651 -36.5863 -111.357 -36.5867 -134.133 GPRESSURE: 3214200 7.68248 176.867 -76.0227 147.48 182.59 14.9466 -172.771 -75.8114 -66.485 PRESSAVG: 3214200 14.3829 0.673498 -4.19694 0.673545 -4.98202 -10.0395 -4.19702 -10.0395 48.7977 GPRESSAVG: 3214200 14.2643 0.668076 -2.25572 0.415399 -4.91705 -6.33494 -5.74802 -11.8123 48.5045 TIMING: 3214200 CPU: 9573.72, 0.00293181/step Wall: 9573.72, 0.00293181/step, 1.45434 hours remaining, 206.703125 MB of memory in use. ENERGY: 3214200 755.0458 2080.2076 1923.9376 112.2642 -206316.0003 17814.8442 0.0000 0.0000 34191.9224 -149437.7786 298.6066 -183629.7010 -149333.2127 298.4854 7.6360 41.2626 557303.9139 19.3995 19.2839 PRESSURE: 3214400 -239.459 7.94657 -65.9355 7.94731 -200.15 34.1324 -65.935 34.1333 -168.422 GPRESSURE: 3214400 -193.451 -24.1849 -31.7946 -9.52646 -146.755 -63.7463 -24.5073 49.5208 -176.324 PRESSAVG: 3214400 6.92166 17.4273 -7.2066 17.4274 0.994024 2.63396 -7.20663 2.63392 -36.3744 GPRESSAVG: 3214400 7.97822 17.8406 -11.3803 18.6257 0.412052 3.6653 -4.55216 0.980573 -37.1119 TIMING: 3214400 CPU: 9574.31, 0.00295298/step Wall: 9574.31, 0.00295298/step, 1.46468 hours remaining, 206.703125 MB of memory in use. ENERGY: 3214400 806.4073 2056.6256 1918.3624 123.1801 -205996.1784 17527.2179 0.0000 0.0000 34022.1818 -149542.2033 297.1242 -183564.3851 -149449.2897 298.3732 -202.6769 -172.1768 556993.1512 -9.4862 -9.5739 PRESSURE: 3214600 39.2344 21.0373 187.952 21.0389 -150.563 77.9994 187.952 77.9971 122.387 GPRESSURE: 3214600 83.5285 57.8385 94.0471 -26.2216 -128.222 13.8893 172.301 71.4375 150.778 PRESSAVG: 3214600 -10.7573 -40.8858 -1.45504 -40.8858 -81.5354 -42.5629 -1.45505 -42.5628 71.5606 GPRESSAVG: 3214600 -12.3541 -41.4038 -1.42337 -39.9768 -80.6647 -44.5674 -2.01182 -42.2222 72.9096 TIMING: 3214600 CPU: 9574.9, 0.0029353/step Wall: 9574.9, 0.0029353/step, 1.45574 hours remaining, 206.703125 MB of memory in use. ENERGY: 3214600 746.5511 2102.7302 1904.8248 115.2836 -206327.8284 17833.9481 0.0000 0.0000 34043.7639 -149580.7267 297.3127 -183624.4907 -149489.9648 296.9893 3.6863 35.3616 555810.4016 -6.9107 -6.7031 PRESSURE: 3214800 -87.526 -75.5306 93.2088 -75.5303 -122.867 18.3913 93.2079 18.3933 115.245 GPRESSURE: 3214800 -33.0365 -20.4945 142.564 -56.9536 -77.1859 43.1169 144.112 18.3683 122.838 PRESSAVG: 3214800 -3.58532 23.6693 6.60295 23.6693 -39.0622 21.9852 6.60287 21.9852 61.7954 GPRESSAVG: 3214800 -1.93666 24.3623 8.77892 24.3072 -39.0821 22.0921 8.41291 22.3537 60.8401 TIMING: 3214800 CPU: 9575.48, 0.00292954/step Wall: 9575.48, 0.00292954/step, 1.45273 hours remaining, 206.703125 MB of memory in use. ENERGY: 3214800 720.3991 2052.4433 1908.7780 119.6813 -206097.9327 17667.8868 0.0000 0.0000 33948.1247 -149680.6194 296.4774 -183628.7441 -149588.1707 297.7187 -31.7157 4.2052 556275.4121 6.3826 6.6071 PRESSURE: 3215000 105.34 30.8921 120.162 30.8938 -55.7551 61.4385 120.162 61.4392 -117.057 GPRESSURE: 3215000 121.31 -50.2948 59.7392 41.2618 -61.2826 63.7377 171.03 -14.6962 -35.6199 PRESSAVG: 3215000 42.159 6.24971 9.95793 6.24977 -53.1452 71.2024 9.95792 71.2023 18.1168 GPRESSAVG: 3215000 41.4077 3.73058 10.5641 6.75713 -53.6768 70.3408 6.7214 71.5466 19.1619 TIMING: 3215000 CPU: 9576.06, 0.0029194/step Wall: 9576.06, 0.0029194/step, 1.44754 hours remaining, 206.703125 MB of memory in use. ENERGY: 3215000 751.7515 2132.8995 1916.9729 111.8550 -206341.7947 17813.3428 0.0000 0.0000 34075.1663 -149539.8067 297.5869 -183614.9730 -149443.5065 297.6413 -22.4906 8.1357 556765.8087 2.3768 2.2976 PRESSURE: 3215200 -142.506 158.661 35.0046 158.661 109.04 16.2842 35.004 16.2834 45.4354 GPRESSURE: 3215200 -104.216 224.375 60.8602 58.2044 128.399 -48.1857 -2.52916 28.8984 81.7621 PRESSAVG: 3215200 -39.4653 39.362 -43.2163 39.362 14.6768 29.3303 -43.2161 29.3303 26.8647 GPRESSAVG: 3215200 -40.9798 40.9182 -43.7079 38.0884 14.8442 30.3323 -40.6342 29.6611 28.0685 TIMING: 3215200 CPU: 9576.65, 0.00290177/step Wall: 9576.65, 0.00290177/step, 1.43863 hours remaining, 206.703125 MB of memory in use. ENERGY: 3215200 714.1301 2056.5456 1919.9588 124.2567 -206449.3898 17871.9877 0.0000 0.0000 34129.9801 -149632.5308 298.0656 -183762.5108 -149538.4773 298.3885 3.9901 35.3149 556680.9788 0.6921 0.6443 PRESSURE: 3215400 7.00277 -11.9529 25.4687 -11.9503 -188.224 56.4086 25.4678 56.4082 44.3184 GPRESSURE: 3215400 38.6805 -34.7327 -38.8427 4.17499 -231.303 36.5901 63.6344 79.415 144.039 PRESSAVG: 3215400 13.8702 13.2957 -4.64997 13.2956 -34.3419 -19.1342 -4.64997 -19.1343 -20.8142 GPRESSAVG: 3215400 15.0685 13.4553 -6.06568 12.1918 -34.9563 -19.0879 -4.10844 -19.7515 -21.5427 TIMING: 3215400 CPU: 9577.23, 0.00291114/step Wall: 9577.23, 0.00291114/step, 1.44312 hours remaining, 206.703125 MB of memory in use. ENERGY: 3215400 698.1497 2107.0017 1901.9563 110.6541 -206243.6182 17681.8359 0.0000 0.0000 34114.1690 -149629.8515 297.9275 -183744.0205 -149534.3532 298.0099 -45.6344 -16.1943 557822.8548 -13.7620 -13.8102 PRESSURE: 3215600 52.9676 -80.4996 -207.833 -80.499 63.2346 -34.5363 -207.833 -34.5344 -55.3762 GPRESSURE: 3215600 108.47 -69.1379 -160.104 -162.196 121.929 -136.32 -199.249 -40.0629 -80.8642 PRESSAVG: 3215600 135.73 -57.8843 -11.7446 -57.8843 -74.37 6.06622 -11.7445 6.06625 -39.7926 GPRESSAVG: 3215600 134.868 -58.3575 -9.4923 -58.7208 -74.5949 5.20043 -11.6824 5.98635 -38.5983 TIMING: 3215600 CPU: 9577.82, 0.00294874/step Wall: 9577.82, 0.00294874/step, 1.46159 hours remaining, 206.703125 MB of memory in use. ENERGY: 3215600 754.0257 2100.0506 1920.9055 115.2968 -206456.6315 17894.7122 0.0000 0.0000 34260.2466 -149411.3942 299.2033 -183671.6407 -149306.0771 298.5897 20.2753 49.8451 558391.6540 7.1891 7.2249 PRESSURE: 3215800 7.73542 -238.632 -49.7934 -238.632 -11.3473 -14.3503 -49.7932 -14.3503 -322.369 GPRESSURE: 3215800 30.8036 -229.908 -48.0575 -215.278 50.0472 80.2865 -92.2595 11.0394 -307.718 PRESSAVG: 3215800 7.8617 -71.3822 -69.1306 -71.3823 26.465 13.5821 -69.1306 13.582 -37.2026 GPRESSAVG: 3215800 8.79404 -67.4669 -65.83 -69.6974 27.5457 14.4946 -72.2091 14.4789 -38.9935 TIMING: 3215800 CPU: 9578.41, 0.00296082/step Wall: 9578.41, 0.00296082/step, 1.46741 hours remaining, 206.703125 MB of memory in use. ENERGY: 3215800 741.9927 2009.0929 1931.7893 104.4333 -206285.5577 17675.3412 0.0000 0.0000 34171.7308 -149651.1775 298.4302 -183822.9083 -149557.1497 298.6934 -108.6604 -75.6223 558301.5232 -0.9586 -0.8846 PRESSURE: 3216000 8.46407 -55.9937 -76.0502 -55.9948 -188.395 176.958 -76.0493 176.957 -58.3979 GPRESSURE: 3216000 17.1501 -48.192 -84.3109 -17.9523 -147.418 178.382 -119.191 149.179 -4.71154 PRESSAVG: 3216000 15.3833 -20.0302 21.8341 -20.0302 -11.7469 -37.6221 21.834 -37.6221 -17.2135 GPRESSAVG: 3216000 14.491 -23.9317 19.1339 -19.4807 -10.8434 -37.8772 22.0896 -38.5455 -16.7138 TIMING: 3216000 CPU: 9579, 0.00295091/step Wall: 9579, 0.00295091/step, 1.46234 hours remaining, 206.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3216000 725.0815 2103.7899 1917.9578 128.9254 -205870.7881 17593.1222 0.0000 0.0000 34014.2708 -149387.6406 297.0551 -183401.9113 -149296.3665 298.2869 -79.4429 -44.9931 557527.8396 -4.5257 -4.3554 PRESSURE: 3216200 -106.468 -100.123 -43.2931 -100.121 -125.392 -3.77851 -43.292 -3.77965 -204.912 GPRESSURE: 3216200 -70.3994 -65.9548 -89.2163 -107.869 -49.6777 53.86 -6.26896 19.9399 -219.243 PRESSAVG: 3216200 26.8045 43.8124 11.565 43.8124 -19.9234 25.9276 11.565 25.9277 28.979 GPRESSAVG: 3216200 26.9296 45.5199 8.77994 42.9958 -19.0981 25.5222 12.6035 26.5519 28.6034 TIMING: 3216200 CPU: 9579.59, 0.00296602/step Wall: 9579.59, 0.00296602/step, 1.46966 hours remaining, 206.703125 MB of memory in use. ENERGY: 3216200 697.8957 2107.8076 1893.2208 131.8142 -206030.2205 17696.4880 0.0000 0.0000 34105.1808 -149397.8135 297.8490 -183502.9943 -149299.0815 298.2909 -145.5904 -113.1067 559388.4001 11.9534 12.1450 LDB: ============= START OF LOAD BALANCING ============== 9583.14 LDB: ============== END OF LOAD BALANCING =============== 9583.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9583.14 LDB: ============= START OF LOAD BALANCING ============== 9583.44 LDB: Largest compute 4772 load 0.028063 is 23.7% of average load 0.118233 LDB: Average compute 0.001727 is 1.5% of average load 0.118233 LDB: TIME 9583.44 LOAD: AVG 0.118233 MAX 0.197093 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.637 MB LDB: TIME 9583.44 LOAD: AVG 0.118233 MAX 0.197094 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.699 MB LDB: TIME 9583.44 LOAD: AVG 0.118233 MAX 0.197094 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.699 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9583.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9583.45 PRESSURE: 3216400 170.333 -141.334 146.268 -141.333 104.803 -8.08683 146.267 -8.08551 -144.282 GPRESSURE: 3216400 221.344 -67.574 83.4451 -152.843 88.4222 51.9297 198.39 85.1387 -75.3244 PRESSAVG: 3216400 20.2768 14.9388 60.9105 14.9387 -39.1819 -21.4304 60.9106 -21.4304 -20.1494 GPRESSAVG: 3216400 21.9677 14.2748 61.9024 14.6755 -39.822 -22.1429 60.8797 -20.2089 -21.2335 TIMING: 3216400 CPU: 9580.2, 0.00303174/step Wall: 9580.2, 0.00303174/step, 1.50206 hours remaining, 207.445312 MB of memory in use. ENERGY: 3216400 735.0333 2047.4695 1939.2917 103.9103 -206274.9972 17959.9593 0.0000 0.0000 34190.4541 -149298.8790 298.5937 -183489.3331 -149207.2926 298.4788 43.6181 78.1472 558724.5090 -13.0182 -13.0293 PRESSURE: 3216600 -261.294 -74.1753 -24.7561 -74.1758 -84.3483 -132.526 -24.7571 -132.525 2.10332 GPRESSURE: 3216600 -205.663 29.8405 -71.5364 -69.2484 -44.0934 -167.726 87.8538 -37.3273 -4.26411 PRESSAVG: 3216600 19.0624 -1.02066 -12.4659 -1.02065 67.7588 -12.1394 -12.4658 -12.1395 -69.0604 GPRESSAVG: 3216600 18.1881 -1.21881 -10.7096 -0.141368 67.7683 -13.6366 -11.1133 -13.0908 -68.4763 TIMING: 3216600 CPU: 9580.79, 0.0029529/step Wall: 9580.79, 0.0029529/step, 1.46283 hours remaining, 207.648438 MB of memory in use. ENERGY: 3216600 761.7745 2082.8711 1904.1639 96.6114 -206134.8448 17611.2152 0.0000 0.0000 34377.3768 -149300.8319 300.2262 -183678.2087 -149210.4652 298.9874 -114.5131 -84.6734 558505.2950 5.9203 5.8267 PRESSURE: 3216800 61.6136 97.9797 -63.5897 97.9777 200.485 102.666 -63.5909 102.666 303.834 GPRESSURE: 3216800 157.083 83.7797 -1.45439 86.0203 269.039 104.736 -155.767 203.833 224.581 PRESSAVG: 3216800 37.0091 50.1343 -0.527917 50.1344 60.6998 4.80296 -0.527913 4.80292 -27.2552 GPRESSAVG: 3216800 36.6427 48.9123 -1.59491 50.9834 60.641 6.24234 -3.76251 4.32286 -26.7433 TIMING: 3216800 CPU: 9581.38, 0.00297165/step Wall: 9581.38, 0.00297165/step, 1.47196 hours remaining, 207.648438 MB of memory in use. ENERGY: 3216800 723.6910 2047.1218 1943.9396 121.8913 -206586.3888 18334.7167 0.0000 0.0000 34235.2041 -149179.8243 298.9846 -183415.0284 -149085.4255 299.4328 188.6441 216.9014 558559.1580 23.4846 23.5135 PRESSURE: 3217000 -252.37 -179.682 -17.0022 -179.681 172.991 -197.479 -17.0024 -197.48 12.1953 GPRESSURE: 3217000 -254.23 -222.446 2.33033 -216.262 184.132 -164.357 50.0064 -209.531 107.202 PRESSAVG: 3217000 -13.7214 -10.0086 18.0376 -10.0086 -6.64234 -32.202 18.0375 -32.2021 -2.18519 GPRESSAVG: 3217000 -13.7711 -9.68463 20.083 -11.943 -7.28763 -33.0147 18.2801 -30.6784 -1.66894 TIMING: 3217000 CPU: 9581.98, 0.00297224/step Wall: 9581.98, 0.00297224/step, 1.47208 hours remaining, 207.648438 MB of memory in use. ENERGY: 3217000 729.9769 2122.7466 1897.1905 115.9573 -206317.6246 17948.5467 0.0000 0.0000 34213.5595 -149289.6471 298.7955 -183503.2066 -149185.8540 299.3273 -22.3946 12.3684 557688.2638 -7.5163 -7.5759 PRESSURE: 3217200 -59.334 16.6319 -164.47 16.6328 -412.155 -58.8231 -164.471 -58.8237 -326.796 GPRESSURE: 3217200 -63.3814 -51.1111 -141.666 65.4415 -374.185 -87.2018 -244.756 -22.7996 -239.268 PRESSAVG: 3217200 -71.5381 -0.683715 40.8461 -0.683654 18.4881 26.2859 40.8462 26.2859 45.2256 GPRESSAVG: 3217200 -71.1488 -0.969043 38.608 0.793039 18.7392 27.1503 41.1202 26.3319 43.9269 TIMING: 3217200 CPU: 9582.57, 0.00293922/step Wall: 9582.57, 0.00293922/step, 1.45557 hours remaining, 207.648438 MB of memory in use. ENERGY: 3217200 728.4296 2052.4524 1902.6457 116.4557 -206003.0923 17512.3437 0.0000 0.0000 34397.7675 -149292.9975 300.4043 -183690.7650 -149202.2227 299.3216 -266.0950 -225.6114 558667.4351 -2.6081 -2.8276 PRESSURE: 3217400 59.9581 50.2449 -13.2913 50.2439 -192.686 -19.7864 -13.2903 -19.785 -35.4667 GPRESSURE: 3217400 77.2957 53.5005 65.979 -32.003 -139.977 -27.8218 -34.7371 -30.5637 -6.71844 PRESSAVG: 3217400 17.4111 35.5644 -9.16659 35.5644 -20.4888 28.9224 -9.16655 28.9224 -0.692132 GPRESSAVG: 3217400 17.2383 37.2461 -8.9756 35.105 -20.9941 29.1098 -7.37357 27.4752 0.0490295 TIMING: 3217400 CPU: 9583.16, 0.00295307/step Wall: 9583.16, 0.00295307/step, 1.46226 hours remaining, 207.648438 MB of memory in use. ENERGY: 3217400 770.9147 2066.1892 1910.6518 117.8305 -206188.8276 17786.9755 0.0000 0.0000 34141.9153 -149394.3507 298.1698 -183536.2659 -149301.5265 298.3559 -56.0649 -23.1333 558833.3021 -1.2566 -1.2356 PRESSURE: 3217600 -292.262 50.8337 -31.0077 50.8336 -62.8948 -31.1991 -31.0094 -31.1975 -137.765 GPRESSURE: 3217600 -272.369 -47.3561 46.4639 115.066 13.7309 -33.3869 -119.203 -74.1718 -120.513 PRESSAVG: 3217600 34.7959 -6.53015 5.31475 -6.53016 -8.92681 4.67258 5.31477 4.67249 28.2568 GPRESSAVG: 3217600 34.467 -8.37569 4.69338 -6.43422 -7.5002 2.68454 4.68656 2.8998 27.5558 TIMING: 3217600 CPU: 9583.75, 0.00296129/step Wall: 9583.75, 0.00296129/step, 1.46617 hours remaining, 207.691406 MB of memory in use. ENERGY: 3217600 742.5681 2095.2432 1917.5621 124.9821 -206059.8824 17686.9333 0.0000 0.0000 33997.1472 -149495.4463 296.9055 -183492.5935 -149400.5414 297.9040 -164.3071 -126.3835 559898.1069 18.0420 18.1742 PRESSURE: 3217800 -332.909 -36.6451 122.924 -36.6436 -267.767 -18.1225 122.925 -18.1214 -25.7153 GPRESSURE: 3217800 -309.975 118.585 102.403 -76.8646 -206.328 -1.75785 181.354 -98.4152 -18.2277 PRESSAVG: 3217800 -10.0855 -16.1936 -12.7915 -16.1935 35.5044 -29.6715 -12.7914 -29.6716 18.7309 GPRESSAVG: 3217800 -9.01897 -15.0262 -12.4522 -15.5597 34.2684 -27.0462 -12.0934 -28.801 19.0539 TIMING: 3217800 CPU: 9584.34, 0.00297027/step Wall: 9584.34, 0.00297027/step, 1.47045 hours remaining, 207.691406 MB of memory in use. ENERGY: 3217800 772.7564 2107.6516 1921.3127 107.3022 -205974.5960 17625.1298 0.0000 0.0000 34031.8769 -149408.5662 297.2088 -183440.4431 -149309.0249 298.4472 -208.7972 -178.1768 559638.1835 14.7166 14.7678 PRESSURE: 3218000 -52.2655 108.292 16.4214 108.292 -291.945 -36.5774 16.4223 -36.5775 -11.9357 GPRESSURE: 3218000 -49.3713 115.242 -122.542 38.1113 -222.934 -59.0871 95.7635 26.5152 4.65875 PRESSAVG: 3218000 17.7406 53.95 15.6469 53.95 -29.5664 3.74535 15.6468 3.74526 12.4656 GPRESSAVG: 3218000 16.6315 55.337 14.5821 54.6596 -28.6553 3.81356 15.5194 4.10926 12.3785 TIMING: 3218000 CPU: 9584.93, 0.00294105/step Wall: 9584.93, 0.00294105/step, 1.45582 hours remaining, 207.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3218000 735.0140 2068.7362 1909.5993 119.7924 -206087.8221 17630.9203 0.0000 0.0000 34130.1754 -149493.5845 298.0673 -183623.7599 -149395.1658 298.3028 -118.7153 -89.2156 559459.9019 0.2132 0.1182 PRESSURE: 3218200 112.932 -14.1131 14.4987 -14.1136 -197.872 67.0958 14.5 67.0957 85.1159 GPRESSURE: 3218200 100.601 -7.20649 -17.4232 39.7042 -122.579 106.247 19.2686 -4.75363 133.205 PRESSAVG: 3218200 51.6546 24.5778 16.4216 24.5778 -26.8975 -2.74358 16.4217 -2.74353 -27.3911 GPRESSAVG: 3218200 51.9601 22.1772 18.437 22.86 -27.902 -4.6241 14.688 -2.13089 -26.1123 TIMING: 3218200 CPU: 9585.52, 0.00293477/step Wall: 9585.52, 0.00293477/step, 1.45255 hours remaining, 207.691406 MB of memory in use. ENERGY: 3218200 706.2600 2067.3458 1960.1543 115.8634 -206331.0789 17831.7622 0.0000 0.0000 34280.4812 -149369.2121 299.3800 -183649.6933 -149269.1628 298.5627 0.0586 37.0758 557582.2651 -0.8780 -0.6847 PRESSURE: 3218400 130.048 -85.3115 27.8232 -85.3106 -12.6673 194.947 27.822 194.947 50.9457 GPRESSURE: 3218400 168.608 19.1483 -38.5943 -190.927 4.39044 135.917 52.2832 228.338 92.1491 PRESSAVG: 3218400 12.3696 -23.6218 -23.5926 -23.6218 -18.5484 67.2539 -23.5925 67.2539 3.02004 GPRESSAVG: 3218400 13.4606 -21.1912 -24.1831 -24.4755 -19.0982 66.1495 -22.8255 66.6499 2.31371 TIMING: 3218400 CPU: 9586.11, 0.00295295/step Wall: 9586.11, 0.00295295/step, 1.46138 hours remaining, 207.691406 MB of memory in use. ENERGY: 3218400 734.5740 2042.9419 1939.1337 103.1404 -206179.4403 17815.5847 0.0000 0.0000 34177.4125 -149366.6530 298.4798 -183544.0655 -149267.6559 299.5624 56.1088 88.3827 556690.9831 -1.0529 -1.1080 PRESSURE: 3218600 -78.319 24.3252 -46.9186 24.3254 -176.268 -62.6477 -46.9193 -62.6489 -90.2605 GPRESSURE: 3218600 -37.1624 -76.9805 -52.2685 -24.3182 -143.137 -107.673 -32.7343 -54.316 -69.3522 PRESSAVG: 3218600 21.9446 -56.3295 -26.0688 -56.3295 -47.7838 25.4979 -26.0689 25.498 45.6352 GPRESSAVG: 3218600 21.9297 -57.9586 -26.7062 -56.0217 -47.2485 26.45 -25.9193 26.5019 45.0634 TIMING: 3218600 CPU: 9586.69, 0.00292321/step Wall: 9586.69, 0.00292321/step, 1.4465 hours remaining, 207.691406 MB of memory in use. ENERGY: 3218600 705.2477 2063.6625 1937.6715 126.4150 -205941.7037 17613.1548 0.0000 0.0000 34431.1047 -149064.4474 300.6954 -183495.5522 -148962.0329 299.1651 -114.9492 -83.2173 558476.3045 6.5987 6.5816 PRESSURE: 3218800 -379.203 51.2433 67.636 51.2431 -263.717 66.3661 67.6372 66.3667 -300.727 GPRESSURE: 3218800 -314.215 89.3818 17.3818 -73.5436 -211.662 87.2689 97.5418 18.2588 -323.839 PRESSAVG: 3218800 4.01853 4.8385 -11.2303 4.83856 50.6407 -5.02129 -11.2304 -5.02129 -57.3828 GPRESSAVG: 3218800 3.8302 4.88149 -11.0241 4.72799 51.763 -5.51831 -12.2546 -5.19591 -58.9603 TIMING: 3218800 CPU: 9587.28, 0.00293995/step Wall: 9587.28, 0.00293995/step, 1.45462 hours remaining, 207.691406 MB of memory in use. ENERGY: 3218800 733.0209 2129.6407 1921.2451 119.9544 -205782.0649 17382.8307 0.0000 0.0000 34365.3366 -149130.0365 300.1210 -183495.3731 -149030.9708 299.7986 -314.5488 -283.2388 558863.6918 -0.9079 -1.1224 PRESSURE: 3219000 -39.6782 -15.6193 -51.0937 -15.6194 -61.922 -17.9898 -51.0931 -17.9913 139.098 GPRESSURE: 3219000 31.9641 25.0869 -75.8991 -64.786 1.85077 -9.35221 4.6767 -49.2401 96.8485 PRESSAVG: 3219000 -28.6716 -7.86966 -34.4765 -7.86973 -20.0715 0.153451 -34.4766 0.153405 30.9887 GPRESSAVG: 3219000 -30.3135 -7.60817 -33.4417 -7.52221 -20.7293 0.839092 -33.9739 0.272907 33.0928 TIMING: 3219000 CPU: 9587.87, 0.00292199/step Wall: 9587.87, 0.00292199/step, 1.44557 hours remaining, 207.691406 MB of memory in use. ENERGY: 3219000 725.1927 2086.4970 1926.8023 122.5238 -205982.4842 17875.5665 0.0000 0.0000 34272.4629 -148973.4389 299.3099 -183245.9018 -148885.3405 299.5634 12.4994 43.5545 559022.1205 -5.9181 -5.9833 PRESSURE: 3219200 15.4816 66.4793 13.7294 66.4808 -241.83 44.1832 13.7284 44.1825 50.8756 GPRESSURE: 3219200 50.316 123.552 45.2122 50.3271 -216.739 55.6991 -13.6471 0.184414 78.9101 PRESSAVG: 3219200 -3.94039 54.9288 11.7386 54.9289 22.793 -12.2012 11.7386 -12.2012 20.2308 GPRESSAVG: 3219200 -3.00219 55.22 12.2835 54.2923 21.2976 -13.7191 11.2602 -12.5722 20.6599 TIMING: 3219200 CPU: 9588.46, 0.00295922/step Wall: 9588.46, 0.00295922/step, 1.46383 hours remaining, 207.691406 MB of memory in use. ENERGY: 3219200 770.9885 2058.2723 1925.9039 98.8622 -205693.3688 17883.3688 0.0000 0.0000 34086.6049 -148869.3683 297.6868 -182955.9732 -148772.5522 299.7925 -58.4910 -29.1710 560812.5220 13.0278 12.9851 PRESSURE: 3219400 -77.3981 -38.1099 161.544 -38.1115 -132.949 117.879 161.544 117.878 -104.379 GPRESSURE: 3219400 -59.2057 -99.4666 146.803 -77.6501 -128.791 110.563 180.357 80.0586 -34.5298 PRESSAVG: 3219400 45.5179 1.03556 40.513 1.03548 -70.5287 -39.4579 40.513 -39.4579 9.08455 GPRESSAVG: 3219400 43.9762 0.068647 40.1269 1.1738 -68.0834 -37.6493 40.619 -39.1015 8.57963 TIMING: 3219400 CPU: 9589.06, 0.00299417/step Wall: 9589.06, 0.00299417/step, 1.48095 hours remaining, 207.691406 MB of memory in use. ENERGY: 3219400 772.9434 2062.4356 1926.7555 107.8357 -205995.4096 17841.0094 0.0000 0.0000 34376.7342 -148907.6958 300.2206 -183284.4300 -148816.4074 300.4113 -104.9087 -74.1756 559215.2135 -5.3087 -5.1759 PRESSURE: 3219600 -167.538 161.295 120.203 161.294 -197.205 -8.06733 120.205 -8.06776 31.7897 GPRESSURE: 3219600 -109.317 99.0589 174.202 222.226 -90.9399 67.5812 140.658 -105.888 -31.5746 PRESSAVG: 3219600 -70.5951 -18.6046 48.9268 -18.6047 18.1211 -13.4568 48.9268 -13.4568 75.3668 GPRESSAVG: 3219600 -69.7803 -19.2298 47.6251 -17.3757 17.6439 -13.5478 48.9046 -13.5637 74.5141 TIMING: 3219600 CPU: 9589.66, 0.00301553/step Wall: 9589.66, 0.00301553/step, 1.49135 hours remaining, 207.691406 MB of memory in use. ENERGY: 3219600 738.9851 2034.6549 1930.6423 117.6129 -205898.0216 17655.1852 0.0000 0.0000 34468.6689 -148952.2724 301.0235 -183420.9413 -148844.7893 300.7961 -110.9844 -77.2771 558145.5884 7.6309 7.4592 PRESSURE: 3219800 8.66417 64.9098 26.1504 64.91 -263.241 128.368 26.1511 128.368 -364.64 GPRESSURE: 3219800 53.0528 70.4858 101.056 -22.6378 -275.997 165.157 -109.051 117.902 -305.457 PRESSAVG: 3219800 -38.4921 -8.53923 41.1292 -8.53912 -21.6984 -21.8782 41.1292 -21.8782 3.79052 GPRESSAVG: 3219800 -37.6932 -6.75127 41.4523 -10.6839 -21.7907 -22.7765 41.8124 -21.3249 3.17818 TIMING: 3219800 CPU: 9590.26, 0.00298548/step Wall: 9590.26, 0.00298548/step, 1.47632 hours remaining, 207.691406 MB of memory in use. ENERGY: 3219800 748.7706 2135.2974 1896.1470 114.4001 -205331.4049 17454.9610 0.0000 0.0000 34047.6518 -148934.1770 297.3466 -182981.8288 -148847.4278 299.6222 -206.4055 -176.1338 559462.1420 -18.8000 -18.7686 PRESSURE: 3220000 -0.0704952 -10.0482 -1.61042 -10.0496 42.6296 151.797 -1.61101 151.796 -164.631 GPRESSURE: 3220000 34.1315 -84.0876 18.7964 28.629 38.7114 146.128 22.1399 85.3558 -104.586 PRESSAVG: 3220000 4.25976 17.6851 29.6704 17.6852 -5.00989 13.7726 29.6704 13.7725 -27.6189 GPRESSAVG: 3220000 3.00244 17.2669 30.2155 19.5427 -4.04277 14.1211 29.0474 11.6765 -26.9834 TIMING: 3220000 CPU: 9590.85, 0.00294562/step Wall: 9590.85, 0.00294562/step, 1.45645 hours remaining, 207.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3220000 733.4827 2083.6664 1932.3965 119.1878 -205487.9018 17439.0690 0.0000 0.0000 34175.4174 -149004.6821 298.4624 -183180.0994 -148911.0819 299.2634 -40.6908 -10.5811 558096.1546 -9.4563 -9.3412 PRESSURE: 3220200 -152.74 -223.232 -15.4753 -223.233 -93.7194 138.706 -15.4761 138.706 -180.72 GPRESSURE: 3220200 -59.7863 -202.602 -77.529 -207.025 -83.9603 152.968 -20.2954 160.43 -196.302 PRESSAVG: 3220200 -39.2922 -32.9249 18.2946 -32.9249 39.1097 -27.9635 18.2945 -27.9636 14.9258 GPRESSAVG: 3220200 -38.6273 -33.7933 18.8185 -31.6744 37.8277 -27.32 18.3193 -27.9541 15.4934 TIMING: 3220200 CPU: 9591.43, 0.00293409/step Wall: 9591.43, 0.00293409/step, 1.45058 hours remaining, 207.691406 MB of memory in use. ENERGY: 3220200 741.9454 2048.0651 1924.1605 102.7292 -205773.5971 17480.7016 0.0000 0.0000 34491.8542 -148984.1412 301.2259 -183475.9954 -148888.0582 299.7467 -142.3928 -113.3495 559033.3817 4.9144 4.8980 LDB: ============= START OF LOAD BALANCING ============== 9594.98 LDB: ============== END OF LOAD BALANCING =============== 9594.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9594.98 LDB: ============= START OF LOAD BALANCING ============== 9595.27 LDB: Largest compute 4772 load 0.028013 is 23.7% of average load 0.118132 LDB: Average compute 0.001730 is 1.5% of average load 0.118132 LDB: TIME 9595.28 LOAD: AVG 0.118132 MAX 0.19602 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 9595.28 LOAD: AVG 0.118132 MAX 0.19602 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: TIME 9595.28 LOAD: AVG 0.118132 MAX 0.19602 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: ============== END OF LOAD BALANCING =============== 9595.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9595.28 PRESSURE: 3220400 124.326 -57.8403 -33.383 -57.8409 -162.935 -41.8249 -33.3833 -41.8255 113.223 GPRESSURE: 3220400 134.461 -48.3427 31.5722 -34.1699 -125.181 -154.515 -61.3016 13.8234 160.895 PRESSAVG: 3220400 22.1209 -52.2348 7.41925 -52.2348 -12.5599 -50.3812 7.41921 -50.3812 -17.1556 GPRESSAVG: 3220400 22.7427 -52.3831 8.26473 -52.3685 -12.5784 -51.4366 7.5109 -48.15 -17.6855 TIMING: 3220400 CPU: 9592.03, 0.00300014/step Wall: 9592.03, 0.00300014/step, 1.48307 hours remaining, 205.992188 MB of memory in use. ENERGY: 3220400 768.4774 2041.4896 1931.4909 107.1979 -206115.7222 17693.3262 0.0000 0.0000 34438.0628 -149135.6773 300.7562 -183573.7401 -149036.5673 299.3973 24.8715 56.7250 557553.6188 -2.5315 -2.5070 PRESSURE: 3220600 -53.2612 172.384 117.785 172.385 -75.4569 -18.9021 117.785 -18.9001 203.72 GPRESSURE: 3220600 -36.7956 174.715 131.128 178.529 -64.0078 -0.362292 114.462 -53.6884 267.85 PRESSAVG: 3220600 19.907 -13.7574 11.7815 -13.7574 45.5185 -23.1022 11.7813 -23.1022 -17.5532 GPRESSAVG: 3220600 19.7007 -12.3591 12.7576 -17.493 45.1675 -20.6145 11.8398 -23.6753 -17.1461 TIMING: 3220600 CPU: 9592.62, 0.00291788/step Wall: 9592.62, 0.00291788/step, 1.44225 hours remaining, 205.992188 MB of memory in use. ENERGY: 3220600 751.5754 2069.9387 1914.8253 116.5450 -206167.4786 17762.6349 0.0000 0.0000 34505.9520 -149046.0072 301.3491 -183551.9592 -148948.6489 299.6998 25.0005 55.6820 557322.1211 15.9574 15.9073 PRESSURE: 3220800 113.616 95.1749 104.039 95.1741 206.088 -22.1268 104.039 -22.1263 -28.7733 GPRESSURE: 3220800 154.946 11.0924 48.6365 62.1075 258.56 -71.7595 157.677 -32.4214 -32.2526 PRESSAVG: 3220800 54.9733 -26.3786 18.9948 -26.3786 -1.40731 -3.06127 18.9949 -3.06121 -18.8578 GPRESSAVG: 3220800 54.8614 -26.7574 17.768 -25.5029 -0.843037 -1.7304 18.6999 -4.39968 -19.4298 TIMING: 3220800 CPU: 9593.2, 0.00292712/step Wall: 9593.2, 0.00292712/step, 1.44665 hours remaining, 205.992188 MB of memory in use. ENERGY: 3220800 758.1089 2106.0432 1923.2334 118.5607 -206190.8321 17870.4428 0.0000 0.0000 34252.6914 -149161.7518 299.1373 -183414.4432 -149061.2978 300.5446 96.9769 127.0842 556925.7238 11.5694 11.5295 PRESSURE: 3221000 122.842 23.7601 65.5952 23.7598 -352.511 -110.784 65.5944 -110.784 -211.25 GPRESSURE: 3221000 125.075 45.5576 84.1683 40.8086 -288.333 -173.132 -9.89571 -28.035 -180.082 PRESSAVG: 3221000 -9.90388 -26.5467 -23.666 -26.5467 -15.7305 -0.478742 -23.666 -0.478631 48.6533 GPRESSAVG: 3221000 -9.9739 -26.6027 -23.8941 -26.8952 -16.9758 -1.20039 -24.218 0.498111 49.9624 TIMING: 3221000 CPU: 9593.79, 0.00293257/step Wall: 9593.79, 0.00293257/step, 1.44918 hours remaining, 206.027344 MB of memory in use. ENERGY: 3221000 738.3048 2023.0070 1929.0411 114.1583 -206299.8611 17796.9591 0.0000 0.0000 34235.9140 -149462.4769 298.9908 -183698.3909 -149369.4685 299.1625 -146.9730 -114.4469 558402.1246 7.6730 7.6709 PRESSURE: 3221200 -194.632 -158.77 -64.6512 -158.77 37.7354 -58.0105 -64.6499 -58.0117 -91.4365 GPRESSURE: 3221200 -186.449 -125.997 -103.983 -136.092 16.4122 -156.147 -71.0099 7.97806 23.6899 PRESSAVG: 3221200 3.78375 -9.86031 -44.8676 -9.86038 -2.04194 -19.3559 -44.8676 -19.3559 4.84812 GPRESSAVG: 3221200 4.68747 -10.1846 -47.0105 -8.40652 -1.19682 -20.4366 -42.1273 -18.8239 3.19786 TIMING: 3221200 CPU: 9594.38, 0.0029447/step Wall: 9594.38, 0.0029447/step, 1.45501 hours remaining, 206.027344 MB of memory in use. ENERGY: 3221200 771.7133 2039.6600 1927.1673 121.1348 -206295.6666 17979.9594 0.0000 0.0000 34036.4032 -149419.6286 297.2484 -183456.0318 -149324.5901 298.4945 -82.7776 -48.7822 558689.5396 2.1966 2.2295 PRESSURE: 3221400 -51.9798 -143.943 -52.8549 -143.943 -118.138 -65.434 -52.8553 -65.4342 -270.423 GPRESSURE: 3221400 34.0057 -177.675 1.63335 -159.14 -170.689 -123.629 -93.9677 -58.1277 -212.055 PRESSAVG: 3221400 27.4897 -40.3897 -57.858 -40.3897 -15.0202 -39.6469 -57.858 -39.6469 -44.7783 GPRESSAVG: 3221400 26.834 -41.15 -56.626 -39.2748 -13.1262 -41.0336 -58.6503 -38.2712 -45.9053 TIMING: 3221400 CPU: 9594.96, 0.0029195/step Wall: 9594.96, 0.0029195/step, 1.44239 hours remaining, 206.265625 MB of memory in use. ENERGY: 3221400 740.0804 2089.4862 1927.8478 110.9555 -206147.4991 17597.4224 0.0000 0.0000 34262.6609 -149419.0459 299.2243 -183681.7068 -149322.3946 298.2613 -146.8469 -116.2461 556521.2060 -10.7696 -10.7325 PRESSURE: 3221600 -106.754 8.94785 -33.0723 8.94725 82.416 61.8623 -33.0737 61.8615 46.4023 GPRESSURE: 3221600 -133.683 69.5274 -23.8058 15.128 167.1 18.4101 -34.4101 103.314 89.9593 PRESSAVG: 3221600 47.2306 19.5094 49.4607 19.5095 31.5156 -10.07 49.4607 -10.0699 -28.4245 GPRESSAVG: 3221600 47.834 17.7219 51.4064 18.2131 31.1612 -11.851 48.062 -9.26296 -28.4311 TIMING: 3221600 CPU: 9595.55, 0.00292214/step Wall: 9595.55, 0.00292214/step, 1.44354 hours remaining, 206.265625 MB of memory in use. ENERGY: 3221600 759.9982 2113.4014 1932.6549 111.0953 -206199.6452 17791.2462 0.0000 0.0000 33998.5787 -149492.6707 296.9180 -183491.2493 -149396.9702 298.3328 7.3547 41.1252 556636.0968 16.7739 16.8547 PRESSURE: 3221800 3.22828 -71.3811 38.7941 -71.3812 -34.4738 -69.603 38.7936 -69.6034 0.336764 GPRESSURE: 3221800 44.3858 23.6149 63.582 -58.9396 32.163 -155.141 134.91 -30.0785 -14.1653 PRESSAVG: 3221800 -23.8466 -43.4822 -6.50096 -43.4823 -34.67 -29.0509 -6.50111 -29.051 56.3245 GPRESSAVG: 3221800 -24.3633 -42.432 -7.18639 -44.1218 -35.7244 -26.1284 -5.52572 -31.4309 57.8382 TIMING: 3221800 CPU: 9596.13, 0.00292296/step Wall: 9596.13, 0.00292296/step, 1.44378 hours remaining, 206.265625 MB of memory in use. ENERGY: 3221800 770.3372 2101.5054 1932.6398 123.1769 -206216.4966 17692.7847 0.0000 0.0000 34185.8881 -149410.1646 298.5539 -183596.0527 -149312.8351 298.3531 -10.3029 20.7945 557898.9684 -0.7307 -0.7498 PRESSURE: 3222000 -120.993 110.883 -3.4362 110.883 229.43 -66.2057 -3.43625 -66.2064 -21.5406 GPRESSURE: 3222000 -118.157 137.772 -118.193 61.7825 289.814 -104.418 34.147 -92.4023 9.97341 PRESSAVG: 3222000 12.9948 -33.0997 -23.114 -33.0997 10.0997 -23.0225 -23.114 -23.0225 -35.4124 GPRESSAVG: 3222000 13.101 -31.7692 -24.3996 -33.9162 9.66909 -24.5718 -21.9194 -21.8397 -34.4976 TIMING: 3222000 CPU: 9596.71, 0.00291373/step Wall: 9596.71, 0.00291373/step, 1.43906 hours remaining, 206.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3222000 757.2950 2105.3271 1923.1404 122.1507 -206275.9058 17792.2592 0.0000 0.0000 34350.8982 -149224.8352 299.9949 -183575.7333 -149134.1627 299.5924 28.9657 60.5437 557961.2723 -4.1059 -3.9092 PRESSURE: 3222200 -179.417 -85.1748 71.1109 -85.1747 -186.862 126.743 71.1107 126.744 2.79084 GPRESSURE: 3222200 -198.205 -79.4256 46.3554 -67.9273 -120.581 178.648 15.9117 46.4946 57.0423 PRESSAVG: 3222200 -37.449 -14.9772 11.789 -14.9772 6.87239 3.82356 11.789 3.82353 49.4356 GPRESSAVG: 3222200 -37.3455 -15.4382 11.5879 -13.431 7.61129 4.94357 10.7819 1.99277 48.7546 TIMING: 3222200 CPU: 9597.3, 0.00291756/step Wall: 9597.3, 0.00291756/step, 1.44079 hours remaining, 206.265625 MB of memory in use. ENERGY: 3222200 713.7451 2168.1796 1948.4106 117.4092 -205943.8932 17630.4995 0.0000 0.0000 34065.7467 -149299.9026 297.5046 -183365.6492 -149203.9596 298.4756 -121.1628 -87.2480 558505.3730 6.2864 6.3401 PRESSURE: 3222400 -55.237 -106.419 133.07 -106.417 94.1271 -17.4556 133.07 -17.4537 -389.937 GPRESSURE: 3222400 -47.5494 -93.5466 38.7781 -129.472 92.1464 -62.3101 115.062 -71.1029 -307.314 PRESSAVG: 3222400 -7.56978 -35.1544 2.57814 -35.1544 19.1157 2.21459 2.57807 2.2146 -3.68465 GPRESSAVG: 3222400 -7.2703 -36.0234 2.87576 -35.9081 17.4302 1.77801 1.71754 1.7835 -2.5344 TIMING: 3222400 CPU: 9597.88, 0.00291357/step Wall: 9597.88, 0.00291357/step, 1.43865 hours remaining, 206.265625 MB of memory in use. ENERGY: 3222400 752.9413 2112.3184 1946.7355 117.8334 -206232.2359 17673.5635 0.0000 0.0000 34274.7987 -149354.0451 299.3303 -183628.8438 -149256.6983 298.5581 -117.0157 -87.5723 557177.1690 2.6204 2.5418 PRESSURE: 3222600 307.255 -50.7233 -72.0934 -50.7224 23.1685 98.3928 -72.0925 98.3914 7.32375 GPRESSURE: 3222600 381.196 -120.111 -35.6805 -11.8525 20.9796 146.163 -50.1937 112.916 29.8832 PRESSAVG: 3222600 44.6959 -56.8072 -17.685 -56.8073 -6.2251 7.52603 -17.685 7.52604 -38.4431 GPRESSAVG: 3222600 45.658 -55.1679 -17.3537 -57.2491 -5.87611 6.9139 -16.3634 8.94793 -39.5594 TIMING: 3222600 CPU: 9598.46, 0.00292726/step Wall: 9598.46, 0.00292726/step, 1.44525 hours remaining, 206.265625 MB of memory in use. ENERGY: 3222600 739.9717 2101.5455 1948.7998 118.8953 -206674.8025 18153.9908 0.0000 0.0000 34192.2286 -149419.3708 298.6092 -183611.5994 -149326.5473 298.5402 112.5823 144.0195 556705.7575 0.0092 0.0742 PRESSURE: 3222800 163.726 -105.908 21.3776 -105.909 190.206 -74.2554 21.3772 -74.2545 -97.4726 GPRESSURE: 3222800 166.106 -77.5211 -57.0681 -115.214 200.674 -8.98242 70.9541 -60.4601 -13.5811 PRESSAVG: 3222800 -3.8225 -28.6507 -84.1272 -28.6506 9.58578 7.17622 -84.1272 7.17601 6.44735 GPRESSAVG: 3222800 -5.22072 -29.2228 -82.1216 -27.9099 9.84229 7.99859 -86.6995 7.3465 7.29667 TIMING: 3222800 CPU: 9599.05, 0.00294655/step Wall: 9599.05, 0.00294655/step, 1.45461 hours remaining, 206.265625 MB of memory in use. ENERGY: 3222800 743.4768 2022.5660 1941.2036 105.3033 -206272.7531 18014.9951 0.0000 0.0000 33962.1956 -149483.0127 296.6003 -183445.2083 -149387.0947 299.0036 85.4864 117.7329 557027.6519 4.0702 3.9727 PRESSURE: 3223000 -343.385 -61.6639 -18.4318 -61.6634 -360.261 81.0187 -18.4323 81.0185 -238.554 GPRESSURE: 3223000 -270.525 -109.168 9.37408 -53.5164 -302.82 163.327 88.2395 28.0404 -271.461 PRESSAVG: 3223000 15.7998 -1.44951 -20.8196 -1.44953 25.2177 37.0915 -20.8197 37.0915 1.94558 GPRESSAVG: 3223000 16.4929 -1.98841 -23.566 -0.0735551 23.9714 37.2947 -22.1063 34.5562 2.04599 TIMING: 3223000 CPU: 9599.64, 0.00293812/step Wall: 9599.64, 0.00293812/step, 1.45029 hours remaining, 206.265625 MB of memory in use. ENERGY: 3223000 773.4809 2043.0401 1950.7714 130.5422 -205966.8536 17559.8912 0.0000 0.0000 34066.7333 -149442.3947 297.5133 -183509.1280 -149349.4927 298.0680 -314.0667 -281.6021 558571.8185 14.3210 14.1701 PRESSURE: 3223200 -37.2265 123.92 81.5485 123.92 38.0997 -33.6651 81.5478 -33.6637 -8.56687 GPRESSURE: 3223200 21.1135 41.283 163.507 163.68 14.152 19.2022 171.814 16.4345 56.3399 PRESSAVG: 3223200 33.8706 -40.8239 -57.315 -40.8239 19.0457 15.3425 -57.3152 15.3425 -67.6772 GPRESSAVG: 3223200 33.712 -40.8227 -57.3716 -42.4067 20.4409 14.9752 -52.9625 17.2769 -68.7427 TIMING: 3223200 CPU: 9600.23, 0.00294086/step Wall: 9600.23, 0.00294086/step, 1.45148 hours remaining, 206.265625 MB of memory in use. ENERGY: 3223200 724.3474 2043.1948 1944.8818 106.5350 -206139.2505 17760.0799 0.0000 0.0000 34106.5700 -149453.6416 297.8612 -183560.2116 -149356.4203 298.0470 -2.5646 30.5352 556271.2147 -4.9203 -4.8633 PRESSURE: 3223400 83.6939 -117.726 81.4795 -117.726 138.67 8.55813 81.4783 8.55827 -6.09799 GPRESSURE: 3223400 83.1498 -180.115 -5.22852 -94.0967 151.001 20.519 148.12 -47.3187 69.2877 PRESSAVG: 3223400 -14.1652 -13.9865 61.5726 -13.9865 84.441 38.5076 61.5725 38.5077 -32.0673 GPRESSAVG: 3223400 -14.3674 -13.6852 61.2729 -12.9877 83.8125 39.4072 59.5748 38.659 -31.4243 TIMING: 3223400 CPU: 9600.82, 0.00293885/step Wall: 9600.82, 0.00293885/step, 1.45032 hours remaining, 206.265625 MB of memory in use. ENERGY: 3223400 753.0816 2060.5227 1930.6340 108.8240 -206748.7312 17962.9807 0.0000 0.0000 34290.8427 -149641.8456 299.4705 -183932.6882 -149545.9311 297.5883 72.0886 101.1463 556014.0552 12.7362 12.6736 PRESSURE: 3223600 -79.6511 -206.001 1.55623 -206.001 -146.952 -65.2057 1.55608 -65.2062 74.7279 GPRESSURE: 3223600 -60.4802 -134.643 -10.6972 -189.82 -77.9194 -144.689 36.6869 -42.8227 75.0708 PRESSAVG: 3223600 -9.36597 -29.9511 112.062 -29.9511 35.1656 -0.678849 112.062 -0.678864 -32.2936 GPRESSAVG: 3223600 -9.25882 -28.4815 113.314 -32.2068 35.5217 -3.26685 109.49 0.355412 -32.6429 TIMING: 3223600 CPU: 9601.41, 0.00293851/step Wall: 9601.41, 0.00293851/step, 1.44999 hours remaining, 206.265625 MB of memory in use. ENERGY: 3223600 736.1977 2034.4937 1936.9373 106.6526 -206002.8372 17703.7914 0.0000 0.0000 34060.5253 -149424.2392 297.4590 -183484.7645 -149328.5332 298.0712 -50.6251 -21.1096 557691.7085 -2.1647 -2.1267 PRESSURE: 3223800 213.427 -7.6898 -117.364 -7.69123 -215.902 -65.5404 -117.364 -65.54 57.0268 GPRESSURE: 3223800 259.395 -83.7817 -42.0671 -13.3096 -177.163 -67.1239 -161.519 -43.9774 70.5351 PRESSAVG: 3223800 35.4549 -21.4554 -2.62201 -21.4554 -14.8411 14.4247 -2.62198 14.4248 -31.72 GPRESSAVG: 3223800 36.0918 -22.5362 -3.13294 -18.8784 -15.4264 15.9888 -0.398857 11.901 -31.4031 TIMING: 3223800 CPU: 9601.99, 0.00294775/step Wall: 9601.99, 0.00294775/step, 1.45439 hours remaining, 206.265625 MB of memory in use. ENERGY: 3223800 704.1163 2114.2121 1931.0530 110.1757 -206109.1106 17754.6410 0.0000 0.0000 34032.8325 -149462.0801 297.2172 -183494.9126 -149369.9723 298.7185 18.1838 50.9223 556339.9567 -3.7021 -3.5792 PRESSURE: 3224000 -148.284 48.3352 40.6819 48.3351 -196.209 -30.7332 40.6811 -30.7338 1.48654 GPRESSURE: 3224000 -124.744 -36.7688 64.4587 107.311 -158.117 -52.4075 76.4824 8.27865 42.2123 PRESSAVG: 3224000 -18.6211 17.3777 23.6313 17.3778 41.8458 40.9123 23.6313 40.9121 -3.32823 GPRESSAVG: 3224000 -18.8246 16.1029 24.0816 17.5036 43.7926 40.4067 23.857 43.3635 -5.2116 TIMING: 3224000 CPU: 9602.58, 0.00292966/step Wall: 9602.58, 0.00292966/step, 1.4453 hours remaining, 206.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3224000 741.5037 2065.0552 1951.5645 111.3258 -206568.5977 18005.2720 0.0000 0.0000 34310.8663 -149383.0102 299.6453 -183693.8765 -149295.1016 298.6962 -114.3354 -80.2163 558112.5504 6.6322 6.5855 PRESSURE: 3224200 3.26723 11.8189 -43.0068 11.8183 10.8463 -54.0579 -43.0077 -54.0593 -259.897 GPRESSURE: 3224200 -20.6981 27.26 32.3633 -10.021 57.1414 -63.0734 11.3022 -129.949 -187.257 PRESSAVG: 3224200 10.7856 9.63468 14.6146 9.63468 16.8585 9.48137 14.6146 9.48135 -4.82066 GPRESSAVG: 3224200 11.7506 11.0976 13.476 8.45427 14.5277 11.2801 14.7951 7.08963 -3.74263 TIMING: 3224200 CPU: 9603.17, 0.00295087/step Wall: 9603.17, 0.00295087/step, 1.4556 hours remaining, 206.265625 MB of memory in use. ENERGY: 3224200 763.4048 2055.1669 1962.9807 109.9805 -206371.6296 17918.6672 0.0000 0.0000 34377.6807 -149183.7488 300.2288 -183561.4295 -149087.9012 299.6107 -81.9277 -50.2711 558849.8701 7.6078 7.5119 LDB: ============= START OF LOAD BALANCING ============== 9606.72 LDB: ============== END OF LOAD BALANCING =============== 9606.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9606.72 LDB: ============= START OF LOAD BALANCING ============== 9607.01 LDB: Largest compute 4772 load 0.028709 is 24.3% of average load 0.118172 LDB: Average compute 0.001727 is 1.5% of average load 0.118172 LDB: TIME 9607.02 LOAD: AVG 0.118172 MAX 0.197476 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.289 MB LDB: TIME 9607.02 LOAD: AVG 0.118172 MAX 0.197476 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.289 MB LDB: TIME 9607.02 LOAD: AVG 0.118172 MAX 0.197476 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.289 MB LDB: ============== END OF LOAD BALANCING =============== 9607.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9607.02 PRESSURE: 3224400 90.6842 62.7733 -48.3913 62.7739 -167.37 -28.6038 -48.3916 -28.6048 4.78403 GPRESSURE: 3224400 115.62 -31.0924 -5.51481 23.3158 -151.498 -84.6427 -62.3189 -67.2431 52.8529 PRESSAVG: 3224400 -13.939 -16.067 13.3392 -16.0671 -32.666 -53.4355 13.3392 -53.4355 6.89098 GPRESSAVG: 3224400 -14.96 -15.978 14.7105 -15.3826 -32.6463 -55.3648 11.9435 -53.3475 8.12198 TIMING: 3224400 CPU: 9603.77, 0.00301024/step Wall: 9603.77, 0.00301024/step, 1.48472 hours remaining, 207.253906 MB of memory in use. ENERGY: 3224400 759.3209 2106.5925 1913.0598 107.3411 -206129.8727 17785.0515 0.0000 0.0000 34515.4225 -148943.0845 301.4318 -183458.5070 -148844.2550 300.1101 -23.9674 5.6584 558211.0002 -13.2380 -13.1614 PRESSURE: 3224600 -35.4698 -58.2748 109.585 -58.2754 -45.7074 -42.2853 109.584 -42.2849 42.9611 GPRESSURE: 3224600 12.5989 8.87962 181.053 -33.6708 44.6824 -32.149 99.1193 -66.4026 -19.7317 PRESSAVG: 3224600 25.7675 -51.644 20.9794 -51.644 22.1414 -9.06658 20.9794 -9.06648 -28.4418 GPRESSAVG: 3224600 25.2488 -49.9852 21.9461 -53.5608 24.637 -10.0169 21.9492 -8.11928 -30.6793 TIMING: 3224600 CPU: 9604.36, 0.00295785/step Wall: 9604.36, 0.00295786/step, 1.45872 hours remaining, 207.453125 MB of memory in use. ENERGY: 3224600 736.6848 2084.4648 1926.4506 108.7283 -205793.2701 17638.5936 0.0000 0.0000 34255.8576 -149042.4904 299.1649 -183298.3481 -148940.4421 300.0554 -12.7387 12.5166 558094.2072 6.4890 6.4022 PRESSURE: 3224800 -417.693 -106.337 -117.564 -106.338 -273.869 95.9701 -117.565 95.9703 -197.976 GPRESSURE: 3224800 -384.023 -163.099 -35.1956 -70.3845 -207.196 78.4826 -15.904 160.388 -193.805 PRESSAVG: 3224800 -60.3247 -27.9131 -30.1866 -27.9131 7.80637 36.5409 -30.1866 36.5408 6.15125 GPRESSAVG: 3224800 -58.9929 -30.4808 -30.7374 -25.3318 6.54936 38.3079 -28.0146 37.1172 5.82204 TIMING: 3224800 CPU: 9604.96, 0.00298461/step Wall: 9604.96, 0.00298461/step, 1.47175 hours remaining, 207.453125 MB of memory in use. ENERGY: 3224800 764.2804 2169.4492 1930.3282 117.9002 -205440.0089 17287.7337 0.0000 0.0000 34117.0240 -149053.2933 297.9525 -183170.3173 -148961.8915 299.6293 -296.5127 -261.6747 559614.3689 -15.4557 -15.5405 PRESSURE: 3225000 -38.1288 -82.9156 -34.4871 -82.9142 -89.1161 24.0093 -34.4874 24.0104 -22.7982 GPRESSURE: 3225000 -47.2378 -113.645 -10.8814 -101.367 -51.0532 61 -36.2343 21.0601 43.8166 PRESSAVG: 3225000 -35.3813 -5.40756 41.725 -5.40756 28.3895 19.2945 41.7249 19.2944 -8.38649 GPRESSAVG: 3225000 -36.8738 -3.66147 43.0003 -6.2099 28.0476 16.7741 38.5993 19.7257 -6.7333 TIMING: 3225000 CPU: 9605.56, 0.00297177/step Wall: 9605.56, 0.00297177/step, 1.46525 hours remaining, 207.453125 MB of memory in use. ENERGY: 3225000 781.3926 2015.5711 1921.8369 117.5196 -206178.8160 17822.4494 0.0000 0.0000 34616.3668 -148903.6795 302.3133 -183520.0464 -148803.3845 300.0214 -50.0144 -18.1581 558108.5504 -5.1261 -5.1865 PRESSURE: 3225200 -197.707 -9.75084 9.14477 -9.75091 -145.51 -101.36 9.14529 -101.359 35.6496 GPRESSURE: 3225200 -145.102 -57.5941 -32.2652 -20.1939 -140.479 -49.7752 28.2381 -145.773 67.9591 PRESSAVG: 3225200 -56.4727 -21.185 31.3109 -21.185 -1.80229 -2.86741 31.3109 -2.86734 61.0384 GPRESSAVG: 3225200 -55.1256 -21.724 28.4793 -22.5557 -1.72484 -1.04189 33.4666 -2.14506 59.627 TIMING: 3225200 CPU: 9606.14, 0.0029261/step Wall: 9606.14, 0.0029261/step, 1.44257 hours remaining, 207.453125 MB of memory in use. ENERGY: 3225200 736.3765 2146.7805 1925.4744 112.2248 -206088.2272 17689.2662 0.0000 0.0000 34587.4397 -148890.6651 302.0607 -183478.1048 -148793.2475 300.7164 -102.5223 -72.5408 556407.5276 0.9211 0.9255 PRESSURE: 3225400 -57.2517 -18.5447 -29.892 -18.5452 71.741 -86.648 -29.8926 -86.6475 139.909 GPRESSURE: 3225400 -118.89 60.6528 21.0158 -45.4791 139.3 -151.587 -7.3789 -46.3169 228.183 PRESSAVG: 3225400 -50.6359 -1.66155 19.3146 -1.66153 6.33913 -50.4077 19.3145 -50.4077 50.9187 GPRESSAVG: 3225400 -51.1263 -1.16133 22.3023 0.213323 6.46218 -49.1572 17.7712 -51.4633 51.6221 TIMING: 3225400 CPU: 9606.73, 0.00292343/step Wall: 9606.73, 0.00292343/step, 1.44109 hours remaining, 207.453125 MB of memory in use. ENERGY: 3225400 720.6270 2104.2314 1917.5646 113.8861 -205606.4663 17550.8418 0.0000 0.0000 34217.5321 -148981.7833 298.8302 -183199.3154 -148882.9318 300.9981 51.4661 82.8645 555258.5341 2.2073 2.3193 PRESSURE: 3225600 48.5443 -3.88832 82.2296 -3.88845 62.1437 32.4751 82.2294 32.4756 -144.379 GPRESSURE: 3225600 91.1812 6.01233 95.1865 -24.5958 60.7932 -14.5608 -0.240603 42.5484 -101.969 PRESSAVG: 3225600 2.08268 31.9931 33.7918 31.9931 -1.42131 -65.9697 33.7918 -65.9696 -5.56843 GPRESSAVG: 3225600 1.67376 32.9127 33.1601 29.7061 -1.75421 -67.3608 33.7565 -66.7433 -5.01661 TIMING: 3225600 CPU: 9607.31, 0.00293415/step Wall: 9607.31, 0.00293415/step, 1.44621 hours remaining, 207.453125 MB of memory in use. ENERGY: 3225600 743.5903 2064.1845 1937.0962 122.6197 -205943.9078 17892.3722 0.0000 0.0000 34217.7199 -148966.3250 298.8319 -183184.0449 -148873.5672 300.5897 -11.2303 16.6685 557641.4736 -1.6357 -1.6990 PRESSURE: 3225800 -193.297 -78.1911 -81.452 -78.1918 -221.969 -154.266 -81.4526 -154.266 42.7068 GPRESSURE: 3225800 -157.517 11.328 -101.272 -120.556 -193.228 -198.592 -59.988 -101.205 67.0742 PRESSAVG: 3225800 12.9485 0.433985 25.212 0.434042 -5.03605 -10.1659 25.2121 -10.1661 -5.02793 GPRESSAVG: 3225800 14.5682 -0.3382 23.2038 3.32854 -5.34362 -9.49796 25.786 -9.97969 -6.32349 TIMING: 3225800 CPU: 9607.9, 0.00292346/step Wall: 9607.9, 0.00292346/step, 1.44078 hours remaining, 207.453125 MB of memory in use. ENERGY: 3225800 802.1396 2069.7015 1911.9008 107.4456 -205705.1299 17553.0439 0.0000 0.0000 34080.5139 -149180.3846 297.6336 -183260.8985 -149086.4410 299.3889 -124.1862 -94.5568 557071.1816 0.9615 0.9670 PRESSURE: 3226000 -6.90608 111.226 -158.756 111.226 -85.496 -36.2897 -158.756 -36.2909 -18.844 GPRESSURE: 3226000 12.6503 53.7261 -45.5922 144.277 11.0916 5.27185 -126.848 -32.8409 -30.3097 PRESSAVG: 3226000 -21.364 -33.2493 -44.4518 -33.2493 -1.16772 -22.0846 -44.4517 -22.0847 50.55 GPRESSAVG: 3226000 -22.3783 -35.185 -43.9125 -33.5895 0.219763 -21.8214 -44.1561 -21.633 50.1254 TIMING: 3226000 CPU: 9608.49, 0.00295515/step Wall: 9608.49, 0.00295515/step, 1.45623 hours remaining, 207.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3226000 759.6111 2073.7482 1934.8027 110.3508 -206204.0645 17791.5167 0.0000 0.0000 34245.4629 -149288.5721 299.0741 -183534.0350 -149198.8320 299.1461 -37.0821 -2.1893 556404.8925 9.3394 9.3223 PRESSURE: 3226200 -49.3163 -34.4914 -29.2051 -34.4903 42.1942 -184.884 -29.2048 -184.885 71.6284 GPRESSURE: 3226200 -1.84257 1.66878 6.67073 -62.7518 42.8587 -134.086 75.4914 -175.382 115.348 PRESSAVG: 3226200 -11.5284 17.5509 3.92998 17.5509 -32.285 -41.8782 3.93005 -41.8782 80.9754 GPRESSAVG: 3226200 -11.6423 18.9774 5.11756 18.305 -33.3392 -42.6343 3.70577 -41.0917 82.0402 TIMING: 3226200 CPU: 9609.08, 0.00294779/step Wall: 9609.08, 0.00294779/step, 1.45244 hours remaining, 207.453125 MB of memory in use. ENERGY: 3226200 738.1183 2112.7661 1924.9836 109.4062 -206278.3858 17940.8956 0.0000 0.0000 34313.4889 -149138.7272 299.6682 -183452.2161 -149037.5869 299.7571 21.5021 52.1215 555992.9220 12.3873 12.3529 PRESSURE: 3226400 289.023 -50.715 -29.19 -50.7162 -94.9483 111.733 -29.1886 111.734 122.052 GPRESSURE: 3226400 373.418 -30.0607 -31.4065 -2.49586 -66.4734 172.775 39.7709 148.426 108.431 PRESSAVG: 3226400 -4.91201 16.7067 68.1951 16.7067 26.7463 23.1727 68.1951 23.1727 -41.0903 GPRESSAVG: 3226400 -5.8061 16.9169 67.2489 14.9911 27.0624 25.0773 68.7603 22.3174 -40.6491 TIMING: 3226400 CPU: 9609.67, 0.00294733/step Wall: 9609.67, 0.00294733/step, 1.45205 hours remaining, 207.453125 MB of memory in use. ENERGY: 3226400 733.1033 2058.9618 1927.8261 113.7155 -206204.1715 17807.0788 0.0000 0.0000 34480.1500 -149083.3360 301.1237 -183563.4860 -148986.8614 299.8891 105.3754 138.4587 557336.3189 -6.4187 -6.4643 PRESSURE: 3226600 -17.1662 77.1898 -104.642 77.1897 -144.751 65.3914 -104.641 65.3904 -3.61748 GPRESSURE: 3226600 -7.98212 80.0617 -46.65 -1.15817 -124.772 32.3893 -131.085 132.096 58.6119 PRESSAVG: 3226600 4.47486 3.1937 3.21453 3.19359 -56.3041 49.4745 3.21447 49.4745 36.743 GPRESSAVG: 3226600 5.83403 1.95913 2.23448 3.01943 -57.1071 49.7917 4.23797 50.5692 36.0436 TIMING: 3226600 CPU: 9610.26, 0.00294805/step Wall: 9610.26, 0.00294805/step, 1.45224 hours remaining, 207.453125 MB of memory in use. ENERGY: 3226600 733.8507 2049.7058 1938.0793 110.9181 -205868.7224 17789.9137 0.0000 0.0000 34163.5659 -149082.6888 298.3589 -183246.2547 -148991.4343 298.9474 -55.1783 -24.7140 558040.2260 -5.0287 -5.0765 PRESSURE: 3226800 -149.604 -142.6 26.1092 -142.6 289.939 47.6208 26.1091 47.6197 -41.2444 GPRESSURE: 3226800 -63.9826 -162.069 42.6778 -106.609 303.797 18.1225 -39.1537 31.662 -29.736 PRESSAVG: 3226800 -0.502118 -63.296 36.7656 -63.296 -5.41359 -14.7306 36.7656 -14.7306 5.68388 GPRESSAVG: 3226800 -0.970113 -61.6209 37.7359 -63.9349 -4.6062 -16.5641 34.2927 -14.7186 5.42139 TIMING: 3226800 CPU: 9610.85, 0.00294648/step Wall: 9610.85, 0.00294648/step, 1.45131 hours remaining, 207.453125 MB of memory in use. ENERGY: 3226800 742.9066 2124.2843 1918.5223 111.0292 -206249.4645 17944.0874 0.0000 0.0000 34492.2564 -148916.3782 301.2295 -183408.6346 -148812.1273 300.1964 33.0302 70.0260 557425.1312 -0.0773 -0.0516 PRESSURE: 3227000 160.322 -159.689 -151.005 -159.688 203.975 -1.25916 -151.005 -1.25948 167.25 GPRESSURE: 3227000 180.98 -114.815 -143.631 -157.397 258.5 -9.02186 -132.638 15.6046 195.12 PRESSAVG: 3227000 -27.9637 -39.5215 -23.5854 -39.5215 32.4684 35.7661 -23.5854 35.7661 25.517 GPRESSAVG: 3227000 -28.3813 -40.3711 -24.225 -39.2902 33.1037 35.4244 -21.6868 36.0108 25.6871 TIMING: 3227000 CPU: 9611.44, 0.00295891/step Wall: 9611.44, 0.00295891/step, 1.45726 hours remaining, 207.453125 MB of memory in use. ENERGY: 3227000 760.5622 2081.6891 1923.8840 118.2602 -206438.6776 18126.3579 0.0000 0.0000 34385.0592 -149042.8651 300.2933 -183427.9243 -148944.9556 300.9114 177.1823 211.5334 557291.8836 10.0072 10.1365 PRESSURE: 3227200 -39.028 -143.863 62.1149 -143.862 19.0333 -139.911 62.1141 -139.91 -0.693311 GPRESSURE: 3227200 22.9505 -51.8819 100.238 -125.508 -1.30501 -85.9079 84.3344 -191.202 59.2635 PRESSAVG: 3227200 -0.302967 -59.4483 -9.85168 -59.4484 -21.5002 5.29583 -9.85172 5.29593 55.1366 GPRESSAVG: 3227200 0.714454 -58.8973 -9.7238 -58.1704 -23.2509 6.04528 -10.7994 4.96097 55.5417 TIMING: 3227200 CPU: 9612.03, 0.00294969/step Wall: 9612.03, 0.00294969/step, 1.45256 hours remaining, 207.453125 MB of memory in use. ENERGY: 3227200 758.9594 2110.3981 1916.8035 115.0794 -206354.6195 17974.4753 0.0000 0.0000 34418.0397 -149060.8641 300.5813 -183478.9038 -148969.7826 300.3073 -6.8960 26.9697 558621.2838 11.1112 11.0018 PRESSURE: 3227400 -85.7961 132.227 -79.4258 132.226 13.9926 60.902 -79.426 60.9036 -257.717 GPRESSURE: 3227400 -48.3263 98.8894 -131.537 120.771 4.97477 57.2552 -82.5088 101.708 -187.367 PRESSAVG: 3227400 22.8397 8.482 -4.99454 8.48202 -3.94206 -35.3092 -4.99452 -35.3093 -2.25492 GPRESSAVG: 3227400 22.5028 8.85535 -4.94964 6.96101 -3.21419 -35.2206 -4.17991 -35.2976 -2.92067 TIMING: 3227400 CPU: 9612.62, 0.00295002/step Wall: 9612.62, 0.00295002/step, 1.45256 hours remaining, 207.453125 MB of memory in use. ENERGY: 3227400 783.5082 2085.4581 1930.8441 127.7379 -206071.5397 17591.1189 0.0000 0.0000 34422.4167 -149130.4558 300.6195 -183552.8726 -149043.5042 300.0148 -109.8401 -76.9061 558774.1473 5.5476 5.4560 PRESSURE: 3227600 -259.706 -4.20424 139.104 -4.20373 -35.7379 300.72 139.104 300.72 -292.813 GPRESSURE: 3227600 -243.25 -89.7061 168.993 122.22 48.3476 314.127 63.5889 303.052 -291.134 PRESSAVG: 3227600 -13.2023 -23.633 10.2793 -23.633 -21.5464 36.4129 10.2792 36.4128 19.5084 GPRESSAVG: 3227600 -13.2598 -25.0009 10.8794 -23.065 -21.2698 37.1683 10.0278 35.035 19.4363 TIMING: 3227600 CPU: 9613.21, 0.00296667/step Wall: 9613.21, 0.00296667/step, 1.46059 hours remaining, 207.453125 MB of memory in use. ENERGY: 3227600 759.5622 2119.1801 1917.9467 108.0218 -205860.4560 17603.0233 0.0000 0.0000 34093.7935 -149258.9284 297.7496 -183352.7219 -149159.1015 299.7876 -196.0856 -162.0121 559072.9822 -5.0801 -5.0311 PRESSURE: 3227800 -184.658 -41.5988 -11.0186 -41.5972 -142.655 -168.286 -11.0177 -168.286 -117.376 GPRESSURE: 3227800 -142.359 -44.6794 7.96106 -55.5627 -78.4861 -116.882 70.4673 -36.7514 -137.978 PRESSAVG: 3227800 5.49283 2.38878 27.4303 2.38896 34.3988 8.8994 27.4303 8.8995 -19.3296 GPRESSAVG: 3227800 4.96009 2.86526 26.3666 3.39906 35.0435 8.15319 28.5315 9.00285 -19.6226 TIMING: 3227800 CPU: 9613.8, 0.00295028/step Wall: 9613.8, 0.00295028/step, 1.45235 hours remaining, 207.453125 MB of memory in use. ENERGY: 3227800 766.5307 2083.1622 1912.6766 114.4663 -205986.3154 17642.6653 0.0000 0.0000 34326.6719 -149140.1425 299.7834 -183466.8144 -149038.9577 298.9636 -148.2298 -119.6076 558521.3292 6.8540 6.7937 PRESSURE: 3228000 78.9836 -49.3447 -67.2786 -49.3437 -292.969 -162.462 -67.2784 -162.461 -79.2809 GPRESSURE: 3228000 78.6287 -37.8669 -65.5857 2.77757 -262.588 -249.216 -88.0245 -119.939 -13.9341 PRESSAVG: 3228000 -1.49953 53.993 2.74515 53.993 -7.95953 -32.9825 2.74516 -32.9824 16.34 GPRESSAVG: 3228000 -0.643424 54.9513 2.00842 52.7802 -9.60438 -34.0143 1.318 -33.8444 17.832 TIMING: 3228000 CPU: 9614.39, 0.00294074/step Wall: 9614.39, 0.00294074/step, 1.4475 hours remaining, 207.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3228000 722.8639 2096.9956 1943.1029 107.5720 -205954.6788 17677.1430 0.0000 0.0000 34195.8785 -149211.1229 298.6411 -183407.0013 -149118.0612 299.3790 -97.7554 -65.9645 557344.2369 2.2936 2.5281 PRESSURE: 3228200 -7.45453 -59.0347 -58.5753 -59.0343 107.844 56.558 -58.5764 56.5592 27.375 GPRESSURE: 3228200 36.696 -74.6946 11.9648 1.86837 143.356 -49.1942 -77.0271 158.995 59.9839 PRESSAVG: 3228200 18.448 -52.9001 -2.9225 -52.9 -70.7896 1.21137 -2.92245 1.21139 37.2697 GPRESSAVG: 3228200 18.9649 -54.0207 -1.364 -53.4207 -70.0921 1.85198 -4.28027 1.31927 36.7756 TIMING: 3228200 CPU: 9614.98, 0.00296346/step Wall: 9614.98, 0.00296346/step, 1.45852 hours remaining, 207.453125 MB of memory in use. ENERGY: 3228200 704.9331 2101.4742 1906.1265 111.8021 -206449.6508 17855.7348 0.0000 0.0000 34337.5573 -149432.0229 299.8784 -183769.5801 -149331.2682 298.5518 42.5883 80.0119 557513.0966 -5.0240 -4.7839 LDB: ============= START OF LOAD BALANCING ============== 9618.53 LDB: ============== END OF LOAD BALANCING =============== 9618.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9618.53 LDB: ============= START OF LOAD BALANCING ============== 9618.83 LDB: Largest compute 4772 load 0.027955 is 23.7% of average load 0.118125 LDB: Average compute 0.001726 is 1.5% of average load 0.118125 LDB: TIME 9618.83 LOAD: AVG 0.118125 MAX 0.198288 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.164 MB LDB: TIME 9618.83 LOAD: AVG 0.118125 MAX 0.198288 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.164 MB LDB: TIME 9618.83 LOAD: AVG 0.118125 MAX 0.198288 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.164 MB LDB: ============== END OF LOAD BALANCING =============== 9618.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9618.84 PRESSURE: 3228400 -142.485 117.676 87.4342 117.676 -179.616 111.862 87.4338 111.863 -268.121 GPRESSURE: 3228400 -69.1414 7.53992 143.055 149.891 -170.73 158.545 -17.3629 98.0883 -252.968 PRESSAVG: 3228400 28.3458 -18.2075 -26.8354 -18.2075 1.00784 21.5413 -26.8354 21.5415 -17.6131 GPRESSAVG: 3228400 28.6319 -20.0009 -27.3697 -16.6349 0.691132 19.4223 -25.2044 22.7667 -17.2267 TIMING: 3228400 CPU: 9615.59, 0.00303588/step Wall: 9615.59, 0.00303588/step, 1.49399 hours remaining, 206.164062 MB of memory in use. ENERGY: 3228400 714.5673 2087.4750 1909.9942 110.0684 -206003.5517 17489.0352 0.0000 0.0000 34093.2766 -149599.1352 297.7451 -183692.4117 -149500.7173 298.8024 -196.7404 -164.2799 560380.3870 3.9135 4.0321 PRESSURE: 3228600 -67.2821 85.7637 88.0263 85.7626 -183.462 -71.1009 88.027 -71.1018 171.239 GPRESSURE: 3228600 0.51953 60.9766 104.538 78.1553 -120.277 -74.0038 94.9601 -80.6975 136.537 PRESSAVG: 3228600 -14.7818 38.1961 -15.5633 38.1961 -54.4718 -13.6354 -15.5632 -13.6355 24.0949 GPRESSAVG: 3228600 -14.5687 39.3278 -15.4617 38.3805 -54.0148 -11.2424 -15.6319 -13.3396 23.5084 TIMING: 3228600 CPU: 9616.18, 0.00296245/step Wall: 9616.18, 0.00296245/step, 1.45769 hours remaining, 206.164062 MB of memory in use. ENERGY: 3228600 764.9785 2100.6099 1942.2407 110.9767 -206502.0558 17795.9575 0.0000 0.0000 34206.1593 -149581.1333 298.7309 -183787.2925 -149487.6916 297.7104 -26.5018 5.5932 557328.5466 -15.0529 -15.0250 PRESSURE: 3228800 69.3206 136.569 30.5624 136.57 128.745 238.109 30.5621 238.111 -154.697 GPRESSURE: 3228800 147.138 88.7866 -74.9226 151.313 74.8165 203.485 59.915 218.701 -79.6291 PRESSAVG: 3228800 17.9945 56.881 17.2148 56.881 -32.6714 -2.50788 17.2149 -2.50797 23.8551 GPRESSAVG: 3228800 17.4392 56.6707 16.3274 56.3733 -32.6514 -4.71073 18.2615 -1.22605 24.5681 TIMING: 3228800 CPU: 9616.77, 0.00294434/step Wall: 9616.77, 0.00294434/step, 1.44862 hours remaining, 206.164062 MB of memory in use. ENERGY: 3228800 764.8249 2104.0579 1952.8257 126.4474 -206897.9856 18049.2846 0.0000 0.0000 34317.8489 -149582.6962 299.7063 -183900.5451 -149478.9949 298.2652 14.4561 47.4418 557894.2261 3.0594 3.1186 PRESSURE: 3229000 171.334 -102.902 -95.3451 -102.902 182.952 -166.308 -95.3453 -166.309 251.605 GPRESSURE: 3229000 160.807 10.6305 -117.985 -177.815 233.162 -260.773 -133.523 -144.064 319.734 PRESSAVG: 3229000 -36.2806 15.833 -33.1493 15.833 31.4381 -91.3571 -33.1492 -91.3571 2.99643 GPRESSAVG: 3229000 -36.7091 14.4402 -31.9059 15.3399 31.4158 -88.3396 -35.4014 -92.7086 4.41616 TIMING: 3229000 CPU: 9617.36, 0.00294755/step Wall: 9617.36, 0.00294755/step, 1.45003 hours remaining, 206.164062 MB of memory in use. ENERGY: 3229000 757.3385 2155.4743 1931.1013 105.6570 -206904.2615 18283.9420 0.0000 0.0000 34171.7581 -149498.9904 298.4305 -183670.7485 -149402.2781 298.4034 201.9636 237.9009 557909.7847 -0.6154 -0.2924 PRESSURE: 3229200 147.262 -18.8143 13.1259 -18.8147 161.065 -166.518 13.1263 -166.518 221.243 GPRESSURE: 3229200 170.26 44.7065 31.3874 -28.9465 246.607 -208.378 -4.5055 -48.3924 202.058 PRESSAVG: 3229200 -31.4709 -38.2919 -34.4171 -38.2919 -32.7539 -31.337 -34.4171 -31.3369 49.1654 GPRESSAVG: 3229200 -30.7286 -33.7393 -34.234 -38.3811 -32.204 -34.9862 -33.1449 -29.8073 48.0141 TIMING: 3229200 CPU: 9617.95, 0.00295159/step Wall: 9617.95, 0.00295159/step, 1.45185 hours remaining, 206.164062 MB of memory in use. ENERGY: 3229200 764.1343 2099.5472 1934.2155 122.8522 -206842.9305 18140.6269 0.0000 0.0000 34162.3155 -149619.2388 298.3480 -183781.5544 -149525.5960 298.7562 176.5234 206.3087 558016.6840 -5.0198 -4.9728 PRESSURE: 3229400 149.054 248.238 219.059 248.237 -42.9248 86.8188 219.057 86.8181 -129.405 GPRESSURE: 3229400 147.927 135.718 218.003 307.398 -28.2631 126.071 239.563 27.8508 -55.2343 PRESSAVG: 3229400 25.6237 6.62132 1.34911 6.62138 -38.7677 61.832 1.34905 61.832 56.3512 GPRESSAVG: 3229400 24.7292 4.25518 2.18849 6.76259 -38.513 63.0885 2.29866 60.3074 57.049 TIMING: 3229400 CPU: 9618.54, 0.00295814/step Wall: 9618.54, 0.00295814/step, 1.45491 hours remaining, 206.164062 MB of memory in use. ENERGY: 3229400 749.9813 2115.7396 1955.0423 112.4806 -206667.8566 17855.4751 0.0000 0.0000 34250.5675 -149628.5702 299.1187 -183879.1377 -149528.0994 298.7176 -7.7589 21.4765 557782.3021 14.4024 14.4217 PRESSURE: 3229600 17.1379 75.6372 -19.1286 75.6351 -305.952 21.6183 -19.1284 21.6199 -194.379 GPRESSURE: 3229600 87.0171 8.52664 -91.897 132.531 -262.105 -9.2123 62.8666 36.7735 -195.867 PRESSAVG: 3229600 67.058 55.3956 8.1661 55.3955 -70.0057 8.96026 8.166 8.9602 1.72179 GPRESSAVG: 3229600 67.3505 54.9884 7.41492 56.9709 -69.2711 9.2846 7.87664 7.99445 0.616333 TIMING: 3229600 CPU: 9619.13, 0.00295046/step Wall: 9619.13, 0.00295046/step, 1.45097 hours remaining, 206.203125 MB of memory in use. ENERGY: 3229600 754.6742 2114.0037 1945.1396 107.9958 -206302.3247 17536.0345 0.0000 0.0000 34153.6175 -149690.8594 298.2720 -183844.4769 -149590.2275 298.2830 -161.0642 -123.6515 556995.0545 -0.4086 -0.4348 PRESSURE: 3229800 -296.896 -65.9543 -110.552 -65.9542 -339.58 168.975 -110.552 168.974 -179.562 GPRESSURE: 3229800 -311.585 2.86661 -47.1511 -149.558 -233.487 196.941 -90.3742 226.522 -174.776 PRESSAVG: 3229800 43.5374 48.7241 23.802 48.724 -50.2568 20.9715 23.8021 20.9716 -9.28439 GPRESSAVG: 3229800 43.2375 47.7973 23.447 48.233 -49.4887 21.0986 23.4321 20.2499 -9.68259 TIMING: 3229800 CPU: 9619.72, 0.00295993/step Wall: 9619.72, 0.00295993/step, 1.45547 hours remaining, 206.203125 MB of memory in use. ENERGY: 3229800 761.6140 2074.1087 1954.7794 103.9990 -206463.5103 17663.8857 0.0000 0.0000 34073.5193 -149831.6043 297.5725 -183905.1236 -149736.1877 298.0036 -272.0127 -239.9493 557722.7413 -5.3346 -5.3113 PRESSURE: 3230000 41.351 123.96 151.239 123.961 -24.3478 -32.5344 151.24 -32.5352 -116.342 GPRESSURE: 3230000 112.501 109.627 120.387 179.461 -47.5531 28.048 191.999 -60.2002 -57.3039 PRESSAVG: 3230000 -17.9696 -40.0137 -1.42353 -40.0137 -58.9242 -42.0723 -1.42351 -42.0724 75.0868 GPRESSAVG: 3230000 -18.6712 -38.7911 0.205088 -39.0802 -60.0844 -41.3795 -2.70994 -41.6324 76.919 TIMING: 3230000 CPU: 9620.31, 0.00294698/step Wall: 9620.31, 0.00294698/step, 1.44893 hours remaining, 206.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3230000 772.2189 2039.4337 1958.0266 120.1763 -206492.4417 17953.5750 0.0000 0.0000 34017.0131 -149631.9979 297.0790 -183649.0110 -149525.6778 297.5689 -33.1130 2.5481 558218.9028 -0.6023 -0.6122 PRESSURE: 3230200 -38.757 -109.372 -127.446 -109.372 -318.716 -5.38826 -127.446 -5.3873 -151.163 GPRESSURE: 3230200 51.8972 -85.3537 -102.538 -107.875 -297.615 46.4873 -102.309 63.2966 -156.038 PRESSAVG: 3230200 66.419 19.5607 26.2493 19.5608 -96.7103 -6.37325 26.2493 -6.37327 41.2509 GPRESSAVG: 3230200 67.1789 18.9002 25.2412 17.8275 -97.5583 -8.44484 27.6616 -6.40177 41.4717 TIMING: 3230200 CPU: 9620.91, 0.00297712/step Wall: 9620.91, 0.00297712/step, 1.46359 hours remaining, 206.203125 MB of memory in use. ENERGY: 3230200 723.7675 2118.2088 1947.8814 101.8978 -206138.0700 17429.6497 0.0000 0.0000 34249.1429 -149567.5218 299.1063 -183816.6647 -149467.4710 298.0857 -169.5455 -133.9185 557480.1280 3.6532 3.6974 PRESSURE: 3230400 -72.7372 31.8083 6.32702 31.8076 180.622 -127.294 6.32636 -127.294 -185.85 GPRESSURE: 3230400 -42.9854 -57.3769 25.0794 64.259 198.505 2.1396 -42.6963 -188.282 -150.791 PRESSAVG: 3230400 -51.2446 -62.9661 -6.18013 -62.9662 15.1073 -6.94232 -6.18018 -6.94243 48.7216 GPRESSAVG: 3230400 -50.1056 -61.3122 -5.14677 -62.2292 16.3887 -4.1343 -8.16434 -6.78599 45.9118 TIMING: 3230400 CPU: 9621.5, 0.00295247/step Wall: 9621.5, 0.00295247/step, 1.4513 hours remaining, 206.269531 MB of memory in use. ENERGY: 3230400 745.3555 2128.0134 1935.8626 130.1582 -206856.0684 17940.2880 0.0000 0.0000 34433.5975 -149542.7931 300.7172 -183976.3907 -149449.8546 298.8610 -25.9886 1.5765 556841.4601 4.1948 4.0650 PRESSURE: 3230600 -70.0738 22.9583 95.2166 22.9584 73.547 -53.1463 95.2167 -53.1469 -15.8285 GPRESSURE: 3230600 -21.4901 26.8429 13.4723 53.8642 121.117 -68.0763 14.8024 25.1686 -23.5419 PRESSAVG: 3230600 -9.31353 -21.1396 24.7245 -21.1396 -11.0029 -32.4809 24.7246 -32.481 22.173 GPRESSAVG: 3230600 -9.99825 -20.775 25.0673 -21.6191 -10.4731 -32.7937 23.5111 -33.6463 22.314 TIMING: 3230600 CPU: 9622.09, 0.00297012/step Wall: 9622.09, 0.00297012/step, 1.45981 hours remaining, 206.269531 MB of memory in use. ENERGY: 3230600 730.5570 2096.3698 1911.2983 108.3426 -206735.9253 18041.4153 0.0000 0.0000 34374.5254 -149473.4168 300.2013 -183847.9422 -149373.2338 299.0401 -4.1184 25.3618 557151.9333 0.6188 0.6142 PRESSURE: 3230800 -414.289 -44.6565 118.604 -44.6558 -105.746 -8.62371 118.604 -8.62488 -46.8382 GPRESSURE: 3230800 -397.091 9.44112 86.6895 -6.67823 -61.5152 6.68783 5.23927 -54.1614 -15.3408 PRESSAVG: 3230800 18.8363 -7.3785 30.1885 -7.37835 7.15572 -5.37062 30.1886 -5.37053 -13.3716 GPRESSAVG: 3230800 18.9974 -8.74069 30.1615 -7.05495 5.50071 -5.23171 32.4855 -4.19415 -11.8783 TIMING: 3230800 CPU: 9622.69, 0.00296559/step Wall: 9622.69, 0.00296559/step, 1.45742 hours remaining, 206.269531 MB of memory in use. ENERGY: 3230800 740.7305 2089.6518 1940.4808 106.7719 -205904.3883 17500.9098 0.0000 0.0000 34124.7658 -149401.0777 298.0201 -183525.8435 -149305.6202 299.2761 -188.9578 -157.9822 558072.2939 4.2068 4.2066 PRESSURE: 3231000 64.3892 -108.437 54.2383 -108.436 19.4966 45.5087 54.2378 45.5082 -209.301 GPRESSURE: 3231000 121.869 -91.9099 83.2429 -111.922 28.871 69.5315 54.3302 71.7522 -169.065 PRESSAVG: 3231000 19.0893 -52.1061 9.64262 -52.1062 -33.9391 46.2249 9.64272 46.2249 30.0518 GPRESSAVG: 3231000 19.8922 -50.6309 9.30822 -52.6655 -32.3098 45.4098 8.28679 45.9301 27.3183 TIMING: 3231000 CPU: 9623.28, 0.00296568/step Wall: 9623.28, 0.00296568/step, 1.4573 hours remaining, 206.269531 MB of memory in use. ENERGY: 3231000 767.7425 2087.6589 1927.3125 106.5556 -206442.7862 17912.0066 0.0000 0.0000 34141.8972 -149499.6129 298.1697 -183641.5101 -149393.0426 299.1195 -41.8051 -6.1083 557561.5606 5.0674 4.9669 PRESSURE: 3231200 -60.7076 123.287 -93.9273 123.288 -23.0312 199.18 -93.9264 199.18 -128.144 GPRESSURE: 3231200 -6.31621 124.467 -120.211 132.082 11.1251 196.735 -41.1536 123.506 -112.693 PRESSAVG: 3231200 43.0671 -28.1464 30.7184 -28.1465 14.2462 -5.23301 30.7183 -5.23304 -59.9059 GPRESSAVG: 3231200 41.9088 -30.1589 31.431 -28.1755 13.7694 -4.27286 30.0157 -5.12678 -58.0688 TIMING: 3231200 CPU: 9623.87, 0.00294919/step Wall: 9623.87, 0.00294919/step, 1.44904 hours remaining, 206.269531 MB of memory in use. ENERGY: 3231200 757.6613 2138.5176 1932.0505 102.3672 -206180.0418 17741.4597 0.0000 0.0000 33977.2901 -149530.6955 296.7321 -183507.9856 -149438.5420 298.0256 -70.6276 -35.9615 556948.7081 -0.8642 -0.7969 PRESSURE: 3231400 -15.2873 42.132 226.26 42.1318 -77.2026 118.28 226.258 118.281 -17.6538 GPRESSURE: 3231400 19.0619 106.836 194.634 12.503 -87.5343 126.169 246.234 25.5 44.5106 PRESSAVG: 3231400 10.9361 37.0027 53.7483 37.0027 2.65117 56.1098 53.7483 56.1098 -22.7992 GPRESSAVG: 3231400 10.7684 38.0581 53.0955 38.1964 3.49408 54.9507 56.3722 55.376 -22.9141 TIMING: 3231400 CPU: 9624.47, 0.00298239/step Wall: 9624.47, 0.00298239/step, 1.46518 hours remaining, 206.269531 MB of memory in use. ENERGY: 3231400 741.0633 2108.6804 1935.9798 113.2686 -206347.1112 17706.7536 0.0000 0.0000 34341.3483 -149400.0171 299.9115 -183741.3654 -149301.4155 299.0766 -36.7146 -7.9873 558539.9473 -3.0707 -2.8839 PRESSURE: 3231600 21.2395 -23.9815 -24.0931 -23.9804 -105.572 19.4396 -24.0935 19.4394 -69.6946 GPRESSURE: 3231600 54.0566 -27.0919 -94.0928 -20.7133 -57.1565 -40.7215 -29.3038 86.42 -52.7784 PRESSAVG: 3231600 47.6174 42.7322 34.3565 42.732 -33.1147 -32.6958 34.3566 -32.6958 0.136196 GPRESSAVG: 3231600 46.8021 43.2919 33.9044 41.0253 -32.8953 -33.697 33.9903 -33.2228 0.700454 TIMING: 3231600 CPU: 9625.06, 0.00297051/step Wall: 9625.06, 0.00297052/step, 1.45918 hours remaining, 206.269531 MB of memory in use. ENERGY: 3231600 741.6974 2072.3799 1939.9989 122.4091 -206710.4056 17933.4198 0.0000 0.0000 34360.0090 -149540.4916 300.0745 -183900.5006 -149439.3197 298.8803 -51.3425 -18.6261 557889.6293 4.8796 4.8691 PRESSURE: 3231800 125.615 -69.2747 127.441 -69.2752 -168.116 -15.6378 127.44 -15.6385 -315.61 GPRESSURE: 3231800 196.166 18.1579 94.1316 -127.047 -208.863 -48.8333 154.447 -36.3903 -252.764 PRESSAVG: 3231800 37.3355 8.75706 12.4326 8.75715 -52.1436 21.0331 12.4325 21.033 -3.97518 GPRESSAVG: 3231800 37.3286 7.4834 11.9229 11.3179 -52.168 22.8046 12.5149 22.7546 -4.06309 TIMING: 3231800 CPU: 9625.65, 0.00296202/step Wall: 9625.65, 0.00296202/step, 1.45485 hours remaining, 206.269531 MB of memory in use. ENERGY: 3231800 751.3267 2136.8981 1929.1241 122.0441 -206365.7775 17640.6582 0.0000 0.0000 34259.4083 -149526.3180 299.1959 -183785.7263 -149434.8053 298.4191 -119.3707 -88.4872 557838.6110 -6.2611 -6.3009 PRESSURE: 3232000 -95.3634 54.9308 32.059 54.9312 -152.677 38.545 32.0586 38.5461 -260.919 GPRESSURE: 3232000 -93.9515 12.4699 -26.0151 202.823 -169.663 68.6695 120.473 25.5375 -155.139 PRESSAVG: 3232000 88.1599 -25.1476 -30.4372 -25.1477 -44.0801 41.235 -30.4372 41.2349 -11.3582 GPRESSAVG: 3232000 88.8409 -26.2745 -31.0302 -26.3967 -45.2033 39.1613 -28.8727 41.9446 -11.4204 TIMING: 3232000 CPU: 9626.25, 0.00297281/step Wall: 9626.25, 0.00297281/step, 1.45998 hours remaining, 206.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3232000 775.3266 2073.7332 1956.8961 112.0037 -206530.0418 17788.2022 0.0000 0.0000 34183.9091 -149639.9709 298.5366 -183823.8800 -149535.4169 298.5975 -169.6532 -139.5844 557091.0387 10.9072 10.7391 PRESSURE: 3232200 -73.1307 22.621 -99.2109 22.6198 -62.6538 131.378 -99.2107 131.379 153.957 GPRESSURE: 3232200 -80.8817 76.9653 -103.035 50.1322 37.4668 154.47 -54.5874 183.765 172.152 PRESSAVG: 3232200 8.67576 -6.16038 12.2151 -6.16039 -39.9191 38.0384 12.2151 38.0384 15.2055 GPRESSAVG: 3232200 8.29206 -5.00811 10.4457 -7.22935 -39.421 39.9047 12.7842 37.9933 15.9414 TIMING: 3232200 CPU: 9626.84, 0.00297029/step Wall: 9626.84, 0.00297029/step, 1.45858 hours remaining, 206.269531 MB of memory in use. ENERGY: 3232200 725.8051 2103.5533 1955.0338 98.5995 -206515.5318 18030.3434 0.0000 0.0000 34034.1204 -149568.0763 297.2284 -183602.1967 -149470.2472 298.0309 6.0576 42.9125 559102.9182 -5.3459 -5.0625 LDB: ============= START OF LOAD BALANCING ============== 9630.39 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9630.39 LDB: =============== DONE WITH MIGRATION ================ 9630.39 LDB: ============= START OF LOAD BALANCING ============== 9630.69 LDB: Largest compute 4772 load 0.028602 is 24.2% of average load 0.118174 LDB: Average compute 0.001730 is 1.5% of average load 0.118174 LDB: TIME 9630.69 LOAD: AVG 0.118174 MAX 0.198099 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 9630.69 LOAD: AVG 0.118174 MAX 0.198099 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: TIME 9630.69 LOAD: AVG 0.118174 MAX 0.198099 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: ============== END OF LOAD BALANCING =============== 9630.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9630.7 PRESSURE: 3232400 -98.7961 64.1502 -45.9713 64.1501 38.5961 80.1863 -45.9708 80.1846 -48.1627 GPRESSURE: 3232400 -43.5589 105.279 -4.40681 17.7792 57.979 0.363746 -63.3774 127.531 -17.1937 PRESSAVG: 3232400 15.0127 -15.5572 -46.9381 -15.5572 20.3476 26.2005 -46.9381 26.2006 -31.4008 GPRESSAVG: 3232400 16.0485 -14.5641 -44.5816 -15.7012 20.3383 26.2169 -50.491 24.9047 -32.4467 TIMING: 3232400 CPU: 9627.45, 0.00303093/step Wall: 9627.45, 0.00303093/step, 1.48819 hours remaining, 207.054688 MB of memory in use. ENERGY: 3232400 722.8125 2133.8884 1923.2062 104.9352 -206432.7688 17641.3943 0.0000 0.0000 34233.9989 -149672.5333 298.9740 -183906.5322 -149578.4166 297.5378 -36.1209 -0.9245 557516.2360 1.3198 1.3134 PRESSURE: 3232600 282.845 45.1811 -56.6736 45.1802 -174.372 -27.4018 -56.6736 -27.4007 115.709 GPRESSURE: 3232600 327.91 79.2987 7.4209 84.1533 -140.291 -35.8109 -51.3166 32.3929 133.092 PRESSAVG: 3232600 -1.46367 -17.3564 -43.7125 -17.3564 10.2729 22.1494 -43.7124 22.1494 -33.2641 GPRESSAVG: 3232600 -1.08849 -20.4626 -42.3605 -13.9828 10.7991 22.6415 -44.2371 21.4066 -34.0013 TIMING: 3232600 CPU: 9628.04, 0.0029618/step Wall: 9628.04, 0.0029618/step, 1.45408 hours remaining, 207.054688 MB of memory in use. ENERGY: 3232600 734.7384 2109.0021 1933.3925 121.4454 -206761.2259 18029.7856 0.0000 0.0000 34121.8610 -149711.0009 297.9947 -183832.8619 -149611.8538 297.7774 74.7272 106.9036 557813.1724 -8.1516 -8.0969 PRESSURE: 3232800 10.0497 -10.4483 -1.26068 -10.4491 -144.417 7.80976 -1.26184 7.80814 -283.684 GPRESSURE: 3232800 -10.5874 86.6642 -61.4658 -106.088 -72.71 -26.1395 109.212 32.9545 -239.783 PRESSAVG: 3232800 -26.6507 -34.6354 13.1702 -34.6353 42.098 8.08132 13.1702 8.08121 4.58014 GPRESSAVG: 3232800 -26.7596 -30.9628 11.5391 -37.0354 42.309 8.8172 15.7714 8.64595 4.54808 TIMING: 3232800 CPU: 9628.63, 0.00295822/step Wall: 9628.63, 0.00295822/step, 1.45216 hours remaining, 207.054688 MB of memory in use. ENERGY: 3232800 743.5932 2070.6317 1966.9697 116.7413 -206458.8358 17844.4596 0.0000 0.0000 34088.9733 -149627.4671 297.7075 -183716.4403 -149532.0904 298.1057 -139.3506 -107.6935 558273.2173 6.6758 6.6992 PRESSURE: 3233000 -58.9729 38.7074 23.1631 38.707 -275.45 121.665 23.1623 121.666 -147.553 GPRESSURE: 3233000 -9.03143 -11.4662 -7.98514 67.2554 -258.09 54.7845 2.02923 204.681 -122.539 PRESSAVG: 3233000 40.0419 -19.1755 34.8923 -19.1755 -44.7765 -26.6594 34.8924 -26.6595 -15.0426 GPRESSAVG: 3233000 41.0231 -21.2439 35.994 -19.3487 -46.1389 -26.5631 34.7958 -25.9705 -14.5624 TIMING: 3233000 CPU: 9629.22, 0.00293828/step Wall: 9629.22, 0.00293828/step, 1.44221 hours remaining, 207.054688 MB of memory in use. ENERGY: 3233000 743.7445 2111.1543 1931.1230 110.9853 -206336.0383 17845.6398 0.0000 0.0000 33950.8971 -149642.4944 296.5016 -183593.3915 -149548.2595 297.4472 -160.6586 -129.8866 559900.7895 -6.5924 -6.5594 PRESSURE: 3233200 -6.38894 -47.6468 103.342 -47.6456 148.646 60.9412 103.342 60.9424 -59.0476 GPRESSURE: 3233200 58.4519 -4.343 100.507 -129.605 172.505 51.6179 101.325 68.3875 -44.3479 PRESSAVG: 3233200 25.384 -15.5093 32.6081 -15.5094 -71.3907 -23.4045 32.608 -23.4046 32.2638 GPRESSAVG: 3233200 24.9262 -15.5534 30.4242 -14.4463 -71.5044 -23.4569 31.997 -24.2696 32.9561 TIMING: 3233200 CPU: 9629.81, 0.00294494/step Wall: 9629.81, 0.00294494/step, 1.44531 hours remaining, 207.054688 MB of memory in use. ENERGY: 3233200 737.6084 2101.0239 1927.9357 115.6571 -206433.1550 17855.3221 0.0000 0.0000 34160.5122 -149535.0955 298.3322 -183695.6078 -149437.9882 297.9686 27.7365 62.2028 557750.5981 -4.5810 -4.5407 PRESSURE: 3233400 15.9828 169.459 -78.6022 169.458 -71.3965 137.485 -78.6025 137.485 208.114 GPRESSURE: 3233400 25.4579 180.418 -75.565 198.604 -32.2297 173.412 -27.3846 214.824 258.471 PRESSAVG: 3233400 -27.0635 -27.7759 10.6575 -27.7759 47.6112 14.2911 10.6576 14.2911 18.8916 GPRESSAVG: 3233400 -27.6981 -26.5165 12.6319 -28.1047 47.4347 14.4095 10.8473 14.6894 19.5423 TIMING: 3233400 CPU: 9630.4, 0.00295439/step Wall: 9630.4, 0.00295439/step, 1.44978 hours remaining, 207.054688 MB of memory in use. ENERGY: 3233400 764.9439 2131.5780 1953.4983 109.0696 -207028.4496 18036.5543 0.0000 0.0000 34395.6254 -149637.1800 300.3856 -184032.8054 -149545.1953 297.6967 50.9000 83.8999 557000.0983 13.1464 13.0930 PRESSURE: 3233600 76.4635 -57.5397 -39.3214 -57.5398 -286.058 21.4225 -39.3206 21.4219 -33.7378 GPRESSURE: 3233600 112.866 -14.6581 -96.5266 2.63906 -213.103 12.7844 65.1662 67.8913 -37.1395 PRESSAVG: 3233600 15.2832 17.4832 21.4893 17.4832 -11.3376 31.249 21.4893 31.249 -21.5786 GPRESSAVG: 3233600 15.5927 16.3938 21.8923 18.063 -10.4226 31.0382 21.2193 30.1002 -22.6222 TIMING: 3233600 CPU: 9630.99, 0.00295924/step Wall: 9630.99, 0.00295924/step, 1.452 hours remaining, 207.054688 MB of memory in use. ENERGY: 3233600 742.4471 2119.7113 1958.3411 109.7239 -206490.3561 17841.7066 0.0000 0.0000 34221.6293 -149496.7969 298.8660 -183718.4262 -149397.6683 298.4192 -81.1107 -45.7924 557296.2074 -5.8777 -5.8174 PRESSURE: 3233800 57.1851 21.6054 6.64094 21.6055 14.1874 16.2222 6.64103 16.2225 240.592 GPRESSURE: 3233800 83.4135 4.34402 12.3673 23.7168 31.6601 86.7477 71.3672 -78.8524 304.308 PRESSAVG: 3233800 -0.259236 3.40469 27.8152 3.40477 -32.2225 39.8787 27.8151 39.8787 86.9632 GPRESSAVG: 3233800 -0.280662 3.51495 28.9392 1.36973 -32.6744 38.6492 29.2139 40.4954 87.1019 TIMING: 3233800 CPU: 9631.58, 0.00293145/step Wall: 9631.58, 0.00293145/step, 1.4382 hours remaining, 207.054688 MB of memory in use. ENERGY: 3233800 760.3330 2070.5123 1928.7973 120.7329 -206799.7688 18105.7821 0.0000 0.0000 34120.7019 -149692.9093 297.9846 -183813.6112 -149594.5972 297.9923 103.9883 139.7937 557178.5823 18.1605 18.0489 PRESSURE: 3234000 180.554 98.5466 -53.6182 98.5482 9.50162 3.40445 -53.6186 3.40641 263.285 GPRESSURE: 3234000 159.001 1.75629 -160.099 98.6709 44.7254 13.2222 -25.9147 14.5769 351.041 PRESSAVG: 3234000 -25.7091 -9.75318 -31.2206 -9.75314 -38.8665 -13.9262 -31.2207 -13.9263 40.4814 GPRESSAVG: 3234000 -25.5341 -10.8859 -32.0805 -7.80497 -38.818 -12.7417 -31.9931 -15.3918 41.0222 TIMING: 3234000 CPU: 9632.17, 0.00295985/step Wall: 9632.17, 0.00295985/step, 1.45197 hours remaining, 207.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3234000 723.0972 2095.0093 1928.1332 113.7156 -206730.9888 17996.0544 0.0000 0.0000 34197.7917 -149677.1874 298.6578 -183874.9791 -149574.1130 298.3077 151.1134 184.9223 557348.4822 -8.0314 -7.7766 PRESSURE: 3234200 -210.646 -14.9828 -10.9685 -14.9851 -14.5717 207.282 -10.9667 207.282 -13.4233 GPRESSURE: 3234200 -154.565 -32.8663 47.2582 61.4228 21.3215 268.797 -110.747 196.306 -11.8789 PRESSAVG: 3234200 -27.0654 43.5319 -51.5334 43.5318 -28.6537 -16.0732 -51.5333 -16.0733 61.7268 GPRESSAVG: 3234200 -27.6554 44.6939 -51.3512 42.9662 -28.6747 -17.8133 -53.5499 -13.7981 62.4152 TIMING: 3234200 CPU: 9632.76, 0.00294504/step Wall: 9632.76, 0.00294504/step, 1.44454 hours remaining, 207.054688 MB of memory in use. ENERGY: 3234200 751.1822 2117.8928 1922.6538 103.1518 -206602.6538 17836.4121 0.0000 0.0000 34095.2387 -149776.1225 297.7622 -183871.3612 -149674.6549 298.3754 -79.5471 -48.3743 557342.0978 2.0026 2.0284 PRESSURE: 3234400 -97.2496 19.1366 -140.897 19.1383 -70.1864 115.813 -140.897 115.812 -303.304 GPRESSURE: 3234400 -90.7156 72.8377 -89.6176 18.3331 -42.8127 174.124 -189.328 96.5751 -243.423 PRESSAVG: 3234400 -8.56583 -7.31681 -8.93569 -7.31677 -36.9238 25.6734 -8.93583 25.6734 10.4722 GPRESSAVG: 3234400 -8.53593 -7.08758 -9.89626 -7.25214 -36.8629 27.5876 -6.62809 25.9325 10.1508 TIMING: 3234400 CPU: 9633.34, 0.00293245/step Wall: 9633.34, 0.00293246/step, 1.43821 hours remaining, 207.054688 MB of memory in use. ENERGY: 3234400 744.0810 2069.3193 1921.2518 117.2218 -206519.8555 17599.9408 0.0000 0.0000 34243.2611 -149824.7796 299.0549 -184068.0407 -149726.4597 297.6644 -156.9133 -125.6504 556157.1780 -11.6725 -11.7493 PRESSURE: 3234600 107.621 -113.9 54.2278 -113.9 -335.105 222.23 54.2277 222.229 -167.359 GPRESSURE: 3234600 123.757 -103.299 -17.0704 -47.7466 -277.087 195.758 94.7336 237.154 -159.279 PRESSAVG: 3234600 81.2445 7.2884 8.09776 7.28841 -36.6956 -9.28873 8.0979 -9.28877 9.89069 GPRESSAVG: 3234600 82.2611 7.80541 8.55125 7.30882 -36.8519 -10.209 7.31859 -10.3517 9.59737 TIMING: 3234600 CPU: 9633.93, 0.0029214/step Wall: 9633.93, 0.0029214/step, 1.43262 hours remaining, 207.054688 MB of memory in use. ENERGY: 3234600 793.9921 2163.6725 1921.0877 104.4564 -206326.5149 17671.2104 0.0000 0.0000 34041.1584 -149630.9373 297.2899 -183672.0958 -149535.7645 298.1896 -131.6143 -104.2030 555733.5058 18.1465 18.3355 PRESSURE: 3234800 -252.077 76.738 43.0782 76.7382 -62.5054 -17.5458 43.0775 -17.5447 -194.474 GPRESSURE: 3234800 -223.407 187.935 -3.94608 114.038 -70.7497 -41.5756 -37.2814 30.7093 -129.733 PRESSAVG: 3234800 57.7274 23.3972 13.4431 23.3973 -99.4219 -17.3426 13.4432 -17.3426 3.49855 GPRESSAVG: 3234800 56.7015 20.7537 13.6949 24.3017 -98.2916 -16.8261 13.7317 -15.9606 3.21015 TIMING: 3234800 CPU: 9634.51, 0.00291465/step Wall: 9634.51, 0.00291464/step, 1.42915 hours remaining, 207.054688 MB of memory in use. ENERGY: 3234800 755.1691 2124.4306 1934.9753 104.4946 -206128.3633 17515.1099 0.0000 0.0000 34076.1428 -149618.0409 297.5954 -183694.1837 -149518.0226 298.1318 -169.6854 -141.2966 556926.9494 -12.7320 -12.7933 PRESSURE: 3235000 38.972 107.349 -41.8147 107.349 -236.931 -30.5284 -41.8135 -30.5273 -31.2134 GPRESSURE: 3235000 68.0636 93.2305 -47.4781 77.5373 -237.222 -75.0502 -48.5434 -15.7559 42.1479 PRESSAVG: 3235000 6.9979 -15.3443 51.2838 -15.3443 -33.7756 -45.6888 51.2839 -45.6888 14.4141 GPRESSAVG: 3235000 6.60311 -14.0078 50.4057 -15.4149 -33.7627 -46.5975 51.3309 -45.116 14.9417 TIMING: 3235000 CPU: 9635.1, 0.00293122/step Wall: 9635.1, 0.00293122/step, 1.43711 hours remaining, 207.054688 MB of memory in use. ENERGY: 3235000 753.6795 2114.8416 1917.0280 115.9980 -206701.1284 17899.5795 0.0000 0.0000 34394.4000 -149505.6018 300.3748 -183900.0018 -149415.1039 298.4178 -76.3908 -42.3369 557135.6163 -4.1212 -4.0726 PRESSURE: 3235200 -192.017 -26.7922 -106.636 -26.7912 -54.2624 -22.366 -106.635 -22.3667 449.515 GPRESSURE: 3235200 -73.4211 -61.6003 -137.085 60.4009 -0.429799 -20.1967 -107.44 4.81568 371.919 PRESSAVG: 3235200 -23.7695 42.1519 42.2006 42.1518 -43.7832 -10.0083 42.2006 -10.0082 0.969501 GPRESSAVG: 3235200 -23.3854 43.3613 41.2019 39.3099 -43.8856 -9.42217 42.173 -10.2331 0.482882 TIMING: 3235200 CPU: 9635.69, 0.00294094/step Wall: 9635.69, 0.00294094/step, 1.44171 hours remaining, 207.054688 MB of memory in use. ENERGY: 3235200 752.6005 2132.1231 1919.8409 119.5529 -206729.5968 18052.1246 0.0000 0.0000 34118.5918 -149634.7631 297.9661 -183753.3549 -149549.2163 298.1090 67.7452 99.3561 556319.2635 -22.1944 -22.2627 PRESSURE: 3235400 -181.409 -13.4774 81.0549 -13.4786 -83.641 111.615 81.0568 111.615 -291.633 GPRESSURE: 3235400 -165.303 -26.7951 88.4251 -22.5725 -36.2096 58.543 101.297 65.2161 -257.378 PRESSAVG: 3235400 -24.1746 -75.1164 29.6851 -75.1164 19.7101 -8.98728 29.6851 -8.98719 19.9006 GPRESSAVG: 3235400 -23.3515 -77.3349 30.1087 -71.8017 19.4272 -9.38837 29.575 -9.96471 19.5148 TIMING: 3235400 CPU: 9636.28, 0.002948/step Wall: 9636.28, 0.002948/step, 1.44501 hours remaining, 207.054688 MB of memory in use. ENERGY: 3235400 725.9037 2096.1744 1940.8923 107.9348 -206252.0067 17606.9432 0.0000 0.0000 34183.9777 -149590.1806 298.5372 -183774.1584 -149494.4072 298.3478 -185.5608 -152.9635 558901.8841 5.1454 5.1969 PRESSURE: 3235600 -1.30242 12.1054 -101.939 12.1049 -1.01338 82.6486 -101.939 82.648 25.541 GPRESSURE: 3235600 29.6734 -0.436031 -42.5927 44.5582 35.6609 52.5167 -162.225 140.907 68.1945 PRESSAVG: 3235600 -16.3915 -10.4214 -23.6554 -10.4213 38.4282 -32.6666 -23.6553 -32.6666 -32.8547 GPRESSAVG: 3235600 -15.96 -10.0905 -23.6677 -11.1083 37.695 -32.1278 -24.2356 -32.7687 -32.206 TIMING: 3235600 CPU: 9636.87, 0.00296074/step Wall: 9636.87, 0.00296074/step, 1.45109 hours remaining, 207.054688 MB of memory in use. ENERGY: 3235600 745.0439 2057.7335 1933.9844 105.0856 -206472.7269 17950.9774 0.0000 0.0000 34142.7192 -149537.1830 298.1769 -183679.9022 -149446.1563 297.5015 7.7417 44.5096 557465.0736 -3.6060 -3.4903 PRESSURE: 3235800 -28.1787 -41.5636 -61.2454 -41.5646 -58.2315 18.2938 -61.2459 18.2947 -0.792539 GPRESSURE: 3235800 41.8489 -74.4613 -6.1227 -90.2759 -62.4605 25.0536 -85.7659 9.82709 18.581 PRESSAVG: 3235800 89.3888 26.9489 -41.6255 26.9489 -37.1409 -52.8752 -41.6254 -52.8754 -13.5759 GPRESSAVG: 3235800 89.9853 28.5206 -39.8514 25.7944 -37.4197 -52.8678 -42.673 -52.6664 -14.2081 TIMING: 3235800 CPU: 9637.46, 0.00294848/step Wall: 9637.46, 0.00294848/step, 1.44492 hours remaining, 207.054688 MB of memory in use. ENERGY: 3235800 729.3677 2104.1213 1930.0674 106.2132 -206340.7532 17652.3103 0.0000 0.0000 34178.9235 -149639.7498 298.4930 -183818.6733 -149535.0487 298.0090 -29.0676 -0.6769 554658.8982 12.8907 12.7858 PRESSURE: 3236000 107.82 -178.526 -94.5493 -178.525 -136.61 -103.262 -94.5481 -103.263 350.422 GPRESSURE: 3236000 165.794 -127.39 -127.231 -180.423 -82.7473 -172.524 -66.0194 -67.4652 336.824 PRESSAVG: 3236000 -49.9646 -14.8006 -100.459 -14.8005 41.9339 -0.574648 -100.458 -0.574458 14.7702 GPRESSAVG: 3236000 -50.7637 -15.794 -101.927 -14.504 42.4184 -0.40967 -99.6974 -0.676501 15.1982 TIMING: 3236000 CPU: 9638.05, 0.00297406/step Wall: 9638.05, 0.00297406/step, 1.45729 hours remaining, 207.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3236000 738.5211 2045.1763 1988.5584 116.0991 -206621.0858 18108.7272 0.0000 0.0000 34000.6666 -149623.3371 296.9363 -183624.0036 -149524.7150 298.5772 107.2107 139.9568 555961.3575 2.2465 2.2843 PRESSURE: 3236200 -138.625 73.7915 40.1538 73.7906 174.729 -1.67752 40.1535 -1.67644 -101.433 GPRESSURE: 3236200 -144.216 77.0788 103.947 95.0389 163.55 41.3477 -5.66309 -61.1762 0.716748 PRESSAVG: 3236200 -65.492 -18.8587 -15.9498 -18.8587 -16.7113 -21.6741 -15.9498 -21.6741 56.3848 GPRESSAVG: 3236200 -65.4606 -18.8985 -15.4038 -19.0598 -16.8081 -21.788 -16.4895 -23.0241 56.0899 TIMING: 3236200 CPU: 9638.65, 0.00296363/step Wall: 9638.65, 0.00296363/step, 1.45201 hours remaining, 207.054688 MB of memory in use. ENERGY: 3236200 734.4936 2046.9755 1938.1302 112.0021 -206225.8015 17750.6831 0.0000 0.0000 34072.7993 -149570.7177 297.5662 -183643.5170 -149472.7121 298.2124 -21.7764 6.6835 557352.5506 -8.6062 -8.7263 LDB: ============= START OF LOAD BALANCING ============== 9642.19 LDB: ============== END OF LOAD BALANCING =============== 9642.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9642.2 LDB: ============= START OF LOAD BALANCING ============== 9642.49 LDB: Largest compute 4772 load 0.028123 is 23.8% of average load 0.118234 LDB: Average compute 0.001721 is 1.5% of average load 0.118234 LDB: TIME 9642.49 LOAD: AVG 0.118234 MAX 0.196685 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.824 MB LDB: TIME 9642.49 LOAD: AVG 0.118234 MAX 0.196685 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.023 MB LDB: TIME 9642.49 LOAD: AVG 0.118234 MAX 0.196685 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.023 MB LDB: ============== END OF LOAD BALANCING =============== 9642.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9642.5 PRESSURE: 3236400 -51.6284 -158.407 13.1997 -158.408 -15.5995 -175.688 13.1996 -175.688 -9.35834 GPRESSURE: 3236400 26.0297 -140.435 -22.0617 -151.033 20.2234 -36.5054 72.3554 -162.685 -24.9668 PRESSAVG: 3236400 -50.9494 -25.1267 2.79995 -25.1267 -5.70418 -33.2123 2.79994 -33.2123 58.3346 GPRESSAVG: 3236400 -49.7155 -25.2512 1.81375 -26.258 -6.71675 -32.9448 3.44299 -32.5033 58.2313 TIMING: 3236400 CPU: 9639.25, 0.00302173/step Wall: 9639.25, 0.00302173/step, 1.48031 hours remaining, 207.316406 MB of memory in use. ENERGY: 3236400 752.7311 2059.2820 1913.3004 115.6743 -206469.4126 17803.4207 0.0000 0.0000 34294.4233 -149530.5809 299.5017 -183825.0042 -149439.5932 298.1417 -25.5288 7.0954 555795.8867 0.5603 0.5997 PRESSURE: 3236600 -120.144 -86.1829 -3.08349 -86.1809 32.1703 -59.2686 -3.08476 -59.2692 159.419 GPRESSURE: 3236600 -88.7027 -20.6968 -20.4661 -189.64 100.098 -88.9903 -19.4383 -39.0643 160.839 PRESSAVG: 3236600 -21.002 0.0862359 -0.421846 0.0863771 -1.06014 24.4853 -0.421826 24.4854 3.10312 GPRESSAVG: 3236600 -22.0809 0.551926 0.567267 0.158457 -0.242517 22.7536 -1.71659 25.1681 3.27746 TIMING: 3236600 CPU: 9639.84, 0.00294442/step Wall: 9639.84, 0.00294442/step, 1.44228 hours remaining, 207.515625 MB of memory in use. ENERGY: 3236600 758.4239 2070.2754 1950.3323 118.3648 -206722.8047 18071.8299 0.0000 0.0000 34252.4434 -149501.1350 299.1351 -183753.5784 -149402.3503 297.7970 23.8152 57.4116 556901.5307 -6.3197 -6.3487 PRESSURE: 3236800 -92.8457 -8.33706 43.5017 -8.33732 156.013 -0.186491 43.5029 -0.1867 -112.222 GPRESSURE: 3236800 -67.0055 55.404 -16.6368 -29.3692 169.512 -111.592 64.4834 45.4738 -56.2261 PRESSAVG: 3236800 -102.407 -25.4981 -58.3794 -25.4982 59.0383 26.3671 -58.3794 26.3671 12.0452 GPRESSAVG: 3236800 -101.773 -24.4533 -59.0249 -25.6486 58.9117 26.958 -56.8245 27.3451 11.3275 TIMING: 3236800 CPU: 9640.43, 0.00293689/step Wall: 9640.43, 0.00293689/step, 1.43842 hours remaining, 207.515625 MB of memory in use. ENERGY: 3236800 732.9016 2117.7302 1929.5850 112.6378 -205802.6894 17646.9447 0.0000 0.0000 34017.9373 -149244.9529 297.0871 -183262.8902 -149147.3744 298.5209 -16.3517 15.4268 556741.1023 -10.4410 -10.5112 PRESSURE: 3237000 -256.976 -6.23252 -114.005 -6.2318 -216.181 -128.799 -114.005 -128.796 -153.115 GPRESSURE: 3237000 -257.715 109.641 -115.007 -54.0472 -133.091 -94.6668 -111.819 -135.954 -126.926 PRESSAVG: 3237000 -54.8679 48.5105 -74.9501 48.5104 0.704577 -13.139 -74.9501 -13.1391 26.6665 GPRESSAVG: 3237000 -55.5189 46.7148 -75.6083 50.5448 1.29007 -12.1188 -75.9211 -14.1186 26.9933 TIMING: 3237000 CPU: 9641.01, 0.00293611/step Wall: 9641.01, 0.00293611/step, 1.43788 hours remaining, 207.515625 MB of memory in use. ENERGY: 3237000 713.4238 2071.3504 1935.6942 125.3932 -205970.1858 17557.0344 0.0000 0.0000 34349.1723 -149218.1175 299.9799 -183567.2897 -149121.5197 299.1807 -208.7571 -172.5770 558445.9557 -9.1656 -9.0785 PRESSURE: 3237200 133.576 -26.2647 -63.6124 -26.2631 40.7971 -131.954 -63.6129 -131.953 91.059 GPRESSURE: 3237200 133.52 -43.5266 29.8997 -2.41787 79.6907 -151.096 -137.654 -134.214 143.352 PRESSAVG: 3237200 -86.1311 -1.05178 9.14216 -1.05177 78.5175 -57.9281 9.14231 -57.9281 39.069 GPRESSAVG: 3237200 -87.4316 -1.73874 9.86056 -2.07717 79.4977 -57.2765 10.4587 -57.5239 39.4056 TIMING: 3237200 CPU: 9641.61, 0.00298166/step Wall: 9641.61, 0.00298166/step, 1.46002 hours remaining, 207.515625 MB of memory in use. ENERGY: 3237200 767.2080 2109.0947 1949.7387 119.7092 -206249.1639 17945.8032 0.0000 0.0000 34431.5758 -148926.0343 300.6995 -183357.6101 -148825.9168 300.2522 88.4775 118.8544 557214.6616 10.4851 10.4906 PRESSURE: 3237400 -212.786 52.8214 158.216 52.8207 -95.3496 -6.09307 158.217 -6.09387 -22.7726 GPRESSURE: 3237400 -173.639 -2.24527 224.534 30.7848 -103.95 -27.3833 99.0612 -5.05266 45.2108 PRESSAVG: 3237400 -116.273 49.8704 -26.0854 49.8704 82.4308 -23.1667 -26.0854 -23.1667 18.7118 GPRESSAVG: 3237400 -114.808 50.7155 -23.1654 51.7658 80.7645 -24.5473 -26.5924 -22.8783 18.5603 TIMING: 3237400 CPU: 9642.2, 0.00293608/step Wall: 9642.2, 0.00293608/step, 1.43754 hours remaining, 207.515625 MB of memory in use. ENERGY: 3237400 727.0953 2185.5576 1901.6314 126.7557 -205624.8299 17417.2026 0.0000 0.0000 34394.4471 -148872.1401 300.3753 -183266.5872 -148774.2075 300.7303 -110.3029 -77.4594 557510.2766 -5.0433 -5.1610 PRESSURE: 3237600 8.87124 -158.753 -57.6763 -158.753 -242.328 -134.863 -57.676 -134.863 -110.024 GPRESSURE: 3237600 46.09 -215.421 -37.7354 -79.6893 -200.321 -193.467 -41.399 -132.63 -90.2187 PRESSAVG: 3237600 -27.9233 16.9487 -8.889 16.9488 14.6531 27.0993 -8.8891 27.0992 36.5832 GPRESSAVG: 3237600 -27.5002 17.2615 -11.8862 16.5805 15.2695 27.0266 -8.15326 26.7662 35.8566 TIMING: 3237600 CPU: 9642.78, 0.00293309/step Wall: 9642.78, 0.00293309/step, 1.43591 hours remaining, 207.515625 MB of memory in use. ENERGY: 3237600 718.1184 2074.1295 1942.2706 107.0430 -205818.1852 17532.5247 0.0000 0.0000 34417.4142 -149026.6847 300.5758 -183444.0989 -148924.2881 300.4552 -114.4935 -81.4834 556652.9180 7.7710 7.8753 PRESSURE: 3237800 151.77 61.4937 107.614 61.4936 163.721 -136.527 107.613 -136.525 192.424 GPRESSURE: 3237800 148.784 52.7276 120.053 69.5408 169.452 -118.542 82.565 -62.8721 294.914 PRESSAVG: 3237800 -6.35386 -24.8858 3.90038 -24.8858 22.4549 -12.0449 3.90035 -12.045 5.81364 GPRESSAVG: 3237800 -6.15383 -25.3564 4.32212 -26.6389 23.0942 -11.8779 2.32479 -12.0596 5.19824 TIMING: 3237800 CPU: 9643.37, 0.00293935/step Wall: 9643.37, 0.00293935/step, 1.43881 hours remaining, 207.515625 MB of memory in use. ENERGY: 3237800 761.1395 2078.5201 1984.4548 113.2699 -206081.1450 17820.9853 0.0000 0.0000 34312.4318 -149010.3436 299.6590 -183322.7754 -148908.3035 300.4562 169.3053 204.3832 554989.0759 7.3049 7.3795 PRESSURE: 3238000 68.6729 -79.2909 156.19 -79.2916 -99.965 71.3988 156.191 71.4 -180.325 GPRESSURE: 3238000 87.2788 -47.0958 195.906 -114.528 -95.0108 139.995 47.7242 160.323 -113.198 PRESSAVG: 3238000 10.6507 -4.24115 29.4669 -4.24114 -1.44913 -24.2481 29.4668 -24.2479 -18.5382 GPRESSAVG: 3238000 9.49804 -5.4052 30.0067 -3.73417 -2.69758 -23.1022 28.0867 -23.8415 -16.1101 TIMING: 3238000 CPU: 9643.96, 0.00294217/step Wall: 9643.96, 0.00294217/step, 1.44003 hours remaining, 207.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3238000 726.1208 2074.3735 1951.0976 116.5342 -206035.8377 17623.0668 0.0000 0.0000 34218.9869 -149325.6580 298.8429 -183544.6449 -149228.5947 299.2680 -70.5391 -40.3101 556302.3138 -3.1122 -3.1032 PRESSURE: 3238200 -82.9924 66.8108 17.9881 66.8117 4.3321 -64.8057 17.9889 -64.8048 -336.4 GPRESSURE: 3238200 -64.446 39.0369 11.3318 25.5486 38.2091 -118.679 31.0861 -93.145 -283.72 PRESSAVG: 3238200 43.3345 -16.2004 -12.0478 -16.2004 18.7666 -32.3057 -12.0478 -32.3056 -70.9447 GPRESSAVG: 3238200 43.8257 -14.8489 -12.5846 -15.7779 18.547 -34.0955 -11.2555 -32.8102 -71.6225 TIMING: 3238200 CPU: 9644.55, 0.00294275/step Wall: 9644.55, 0.00294275/step, 1.44015 hours remaining, 207.515625 MB of memory in use. ENERGY: 3238200 784.4207 2155.3966 1908.7732 114.4671 -206130.2732 17774.6885 0.0000 0.0000 34226.0572 -149166.4700 298.9047 -183392.5272 -149072.6303 299.4974 -138.3533 -103.3189 557985.8282 -2.9479 -3.0832 PRESSURE: 3238400 -63.0213 143.678 -84.348 143.679 -130.005 1.55192 -84.3489 1.55297 -16.3555 GPRESSURE: 3238400 -55.8889 103.079 -22.4049 143.826 -87.1438 -54.6823 -42.4996 2.30096 30.1202 PRESSAVG: 3238400 -48.9484 27.4437 26.5315 27.4437 71.0746 3.85147 26.5315 3.85149 -1.84874 GPRESSAVG: 3238400 -48.9469 26.8931 25.6912 27.5405 71.2839 4.23929 26.9498 4.97803 -2.01745 TIMING: 3238400 CPU: 9645.13, 0.00291632/step Wall: 9645.13, 0.00291632/step, 1.42705 hours remaining, 207.515625 MB of memory in use. ENERGY: 3238400 743.2011 2131.3191 1895.1975 131.9999 -206126.3406 17779.7526 0.0000 0.0000 34117.9563 -149326.9141 297.9606 -183444.8704 -149230.9183 299.3601 -69.7940 -37.6375 557711.1623 6.7592 6.7732 PRESSURE: 3238600 -173.283 74.983 -107.456 74.9839 -140.451 -79.0478 -107.456 -79.0461 -17.9608 GPRESSURE: 3238600 -147.731 108.979 -78.8348 111.252 -82.8084 -119.734 -72.9881 3.50071 -11.9812 PRESSAVG: 3238600 -31.7947 -18.7917 -39.8781 -18.7917 38.9385 -51.6501 -39.8781 -51.6501 2.11318 GPRESSAVG: 3238600 -31.9235 -18.9724 -39.0699 -19.4039 38.5649 -50.2641 -39.5814 -52.6211 3.09086 TIMING: 3238600 CPU: 9645.72, 0.00294342/step Wall: 9645.72, 0.00294342/step, 1.44015 hours remaining, 207.515625 MB of memory in use. ENERGY: 3238600 793.3367 2052.0387 1947.8940 110.8747 -206391.3012 17711.1903 0.0000 0.0000 34505.7669 -149270.1999 301.3474 -183775.9668 -149167.3981 299.6743 -110.5647 -80.8402 556080.2623 3.0857 3.2441 PRESSURE: 3238800 49.9596 92.2917 -3.37849 92.2905 -15.4082 -92.623 -3.37895 -92.6256 78.7899 GPRESSURE: 3238800 21.1245 45.2304 1.85857 145.683 43.9566 -161.844 -75.1489 -40.9024 136.516 PRESSAVG: 3238800 0.900998 15.0229 21.2922 15.0229 -5.3218 -25.148 21.2923 -25.1481 -17.0543 GPRESSAVG: 3238800 1.18673 14.3752 20.2143 15.6669 -5.53604 -25.1332 22.4476 -23.8703 -16.9355 TIMING: 3238800 CPU: 9646.31, 0.00295463/step Wall: 9646.31, 0.00295463/step, 1.44547 hours remaining, 207.515625 MB of memory in use. ENERGY: 3238800 783.9441 2103.1274 1923.4643 125.8668 -206333.4278 17914.0546 0.0000 0.0000 34169.3955 -149313.5750 298.4098 -183482.9705 -149229.4266 299.9926 37.7804 67.1991 557517.5101 -7.1584 -7.0949 PRESSURE: 3239000 -43.331 -92.7975 63.1267 -92.7972 -69.3765 -85.2253 63.1283 -85.2252 -251.069 GPRESSURE: 3239000 -72.0625 -51.347 63.3327 -131.074 41.661 -120.42 -1.68471 -18.2906 -231.772 PRESSAVG: 3239000 26.3528 49.0463 -45.9594 49.0463 19.0972 -32.4018 -45.9594 -32.4018 -15.2795 GPRESSAVG: 3239000 25.492 51.1145 -45.5295 49.8674 20.4172 -32.4864 -47.8683 -34.9136 -16.0371 TIMING: 3239000 CPU: 9646.9, 0.00292111/step Wall: 9646.9, 0.00292111/step, 1.42891 hours remaining, 207.515625 MB of memory in use. ENERGY: 3239000 763.4536 2108.9739 1932.4963 112.9336 -205951.8820 17610.7199 0.0000 0.0000 34213.8554 -149209.4494 298.7981 -183423.3048 -149114.6231 299.3196 -121.2587 -87.3912 557894.9755 10.0569 9.9574 PRESSURE: 3239200 -138.173 -78.69 8.22251 -78.6902 -66.4375 119.504 8.22288 119.504 -91.6166 GPRESSURE: 3239200 -74.217 -36.732 102.965 -92.8417 -8.65518 26.8928 -38.4877 178.301 -126.013 PRESSAVG: 3239200 3.58669 -44.5978 -57.2378 -44.598 30.5316 50.0301 -57.2379 50.0301 -15.9184 GPRESSAVG: 3239200 4.86297 -45.0493 -55.9289 -47.3457 29.9294 49.9706 -56.9281 52.3325 -16.7788 TIMING: 3239200 CPU: 9647.48, 0.00293143/step Wall: 9647.48, 0.00293143/step, 1.4338 hours remaining, 207.515625 MB of memory in use. ENERGY: 3239200 757.4100 2073.5885 1947.3700 118.8886 -206065.4923 17711.8456 0.0000 0.0000 34294.5748 -149161.8149 299.5031 -183456.3896 -149065.3753 299.2174 -98.7422 -69.6285 557618.7835 6.0666 6.0045 PRESSURE: 3239400 -278.866 -104.965 -111.617 -104.965 -169.943 23.6526 -111.618 23.6518 -153.522 GPRESSURE: 3239400 -206.308 -86.1435 -169.537 -143.998 -170.804 4.48595 -48.6417 55.8638 -120.765 PRESSAVG: 3239400 -77.6055 -21.0777 3.25175 -21.0777 52.0238 3.55217 3.25182 3.55215 43.405 GPRESSAVG: 3239400 -79.2422 -20.2513 2.4444 -20.1975 51.5621 2.31932 2.56062 3.07441 45.52 TIMING: 3239400 CPU: 9648.07, 0.00295253/step Wall: 9648.07, 0.00295253/step, 1.44395 hours remaining, 207.515625 MB of memory in use. ENERGY: 3239400 741.2538 2108.2273 1962.2479 110.0277 -206082.3424 17702.2763 0.0000 0.0000 34281.7776 -149176.5318 299.3913 -183458.3094 -149077.8447 299.7004 -200.7768 -165.9591 559028.4038 5.9411 5.9466 PRESSURE: 3239600 -181.574 -1.7417 32.2046 -1.74266 34.8544 -83.2746 32.2046 -83.2742 37.3625 GPRESSURE: 3239600 -136.93 0.563415 -46.3199 -6.68507 66.5423 4.74387 141.624 -79.4685 53.9278 PRESSAVG: 3239600 -1.24748 28.3661 -25.1337 28.3661 8.92038 -8.70124 -25.1337 -8.7014 22.2647 GPRESSAVG: 3239600 -1.52635 25.2292 -26.7309 30.1352 10.0251 -6.49353 -22.6597 -10.8752 21.0359 TIMING: 3239600 CPU: 9648.66, 0.00295839/step Wall: 9648.66, 0.00295839/step, 1.44665 hours remaining, 207.515625 MB of memory in use. ENERGY: 3239600 782.1332 2112.1908 1931.4826 111.2198 -206380.6024 17985.5690 0.0000 0.0000 34394.2065 -149063.8004 300.3732 -183458.0069 -148964.4613 299.6127 -36.4523 -5.4867 558029.0900 9.9792 9.8449 PRESSURE: 3239800 286.096 -113.425 120.495 -113.425 148.814 52.5184 120.495 52.5166 141.443 GPRESSURE: 3239800 406.686 -115.022 61.5215 -120.962 132.114 47.3263 45.3709 32.8282 122.329 PRESSAVG: 3239800 37.6398 -15.1448 1.13676 -15.1448 -25.3858 -19.4532 1.13682 -19.4533 -38.3957 GPRESSAVG: 3239800 38.9774 -14.9888 5.64821 -14.0673 -27.0405 -19.3857 -1.66265 -19.6109 -38.1163 TIMING: 3239800 CPU: 9649.26, 0.00298419/step Wall: 9649.26, 0.00298419/step, 1.4591 hours remaining, 207.515625 MB of memory in use. ENERGY: 3239800 738.5465 2121.2940 1928.0089 104.9467 -206385.8733 18015.8283 0.0000 0.0000 34242.1347 -149235.1142 299.0451 -183477.2489 -149133.8182 299.1515 192.1178 220.3762 556566.6056 -8.7139 -8.7265 PRESSURE: 3240000 -120.911 184.776 35.5463 184.777 -205.416 77.7608 35.5456 77.762 177.852 GPRESSURE: 3240000 -91.9458 87.6526 92.8135 181.39 -178.113 49.7989 129.788 137.073 220.585 PRESSAVG: 3240000 18.0743 5.05745 -25.9918 5.05745 -7.98544 -7.56635 -25.9917 -7.56632 -27.6738 GPRESSAVG: 3240000 17.3335 4.25987 -27.2475 4.59792 -6.49378 -7.57371 -25.5888 -5.97424 -28.9075 TIMING: 3240000 CPU: 9649.86, 0.00300267/step Wall: 9649.86, 0.00300267/step, 1.46797 hours remaining, 207.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3240000 747.4765 2140.9924 1939.2812 123.3101 -206590.4673 17749.0579 0.0000 0.0000 34493.9690 -149396.3801 301.2444 -183890.3491 -149302.6763 299.4319 -49.4917 -16.4914 556530.3960 -5.8616 -6.0226 PRESSURE: 3240200 -73.1707 212.402 89.7582 212.402 -144.603 -70.6723 89.7585 -70.6743 -172.139 GPRESSURE: 3240200 -103.938 196.804 18.7302 203.398 -92.8241 -151.816 129.51 -15.4404 -95.6803 PRESSAVG: 3240200 -39.9809 -16.5952 30.5341 -16.5952 63.9729 26.4447 30.5341 26.4447 10.0515 GPRESSAVG: 3240200 -39.7641 -14.5959 29.8351 -18.1768 62.585 25.2127 29.2868 28.0379 11.0102 TIMING: 3240200 CPU: 9650.46, 0.00298035/step Wall: 9650.46, 0.00298035/step, 1.45689 hours remaining, 207.515625 MB of memory in use. ENERGY: 3240200 774.7127 2125.2816 1930.8749 108.7102 -206378.3401 17722.2881 0.0000 0.0000 34218.6266 -149497.8460 298.8398 -183716.4727 -149402.6329 299.7021 -129.9708 -97.4807 556214.8857 11.3478 11.2770 LDB: ============= START OF LOAD BALANCING ============== 9654 LDB: ============== END OF LOAD BALANCING =============== 9654 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9654 LDB: ============= START OF LOAD BALANCING ============== 9654.3 LDB: Largest compute 4772 load 0.027323 is 23.1% of average load 0.118279 LDB: Average compute 0.001720 is 1.5% of average load 0.118279 LDB: TIME 9654.3 LOAD: AVG 0.118279 MAX 0.197665 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 9654.3 LOAD: AVG 0.118279 MAX 0.197665 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: TIME 9654.3 LOAD: AVG 0.118279 MAX 0.197665 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9654.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9654.31 PRESSURE: 3240400 -61.378 276.247 -94.5349 276.247 -120.223 -67.4792 -94.5345 -67.4789 -195.851 GPRESSURE: 3240400 -36.75 303.793 -69.778 294.879 -77.3764 -69.0713 -71.8213 -10.5354 -181.544 PRESSAVG: 3240400 33.9938 81.2129 -5.83488 81.2129 -29.8149 -1.0984 -5.83485 -1.09835 32.7175 GPRESSAVG: 3240400 33.7074 79.7359 -5.60601 82.0201 -29.9574 -1.57345 -3.97213 -2.50581 33.0956 TIMING: 3240400 CPU: 9651.06, 0.0030097/step Wall: 9651.06, 0.0030097/step, 1.47107 hours remaining, 207.253906 MB of memory in use. ENERGY: 3240400 738.5136 2086.6996 1939.3764 114.7960 -206297.9420 17579.9827 0.0000 0.0000 34179.3098 -149659.2638 298.4964 -183838.5737 -149563.4019 298.2931 -125.8176 -98.5569 556918.3753 12.2988 12.2819 PRESSURE: 3240600 33.1017 43.5989 -216.632 43.5998 152.366 200.662 -216.632 200.661 -254.446 GPRESSURE: 3240600 100.922 9.85673 -202.514 100.627 144.81 253.411 -182.459 204.375 -213.242 PRESSAVG: 3240600 -20.1521 22.3135 -17.8177 22.3135 23.119 82.1167 -17.8177 82.1168 38.8106 GPRESSAVG: 3240600 -20.0769 24.4373 -17.7238 21.4366 22.6788 82.0823 -18.3616 81.7255 38.4016 TIMING: 3240600 CPU: 9651.65, 0.0029557/step Wall: 9651.65, 0.0029557/step, 1.44452 hours remaining, 207.253906 MB of memory in use. ENERGY: 3240600 760.0891 2052.3725 1940.9006 117.2154 -206455.4610 17925.1816 0.0000 0.0000 34238.1372 -149421.5646 299.0102 -183659.7018 -149330.8995 298.9256 -22.9925 10.8300 555985.4323 13.9258 13.6678 PRESSURE: 3240800 -75.002 -65.0886 -160.926 -65.0881 -191.607 -9.80903 -160.927 -9.80968 -249.898 GPRESSURE: 3240800 -59.609 -58.9853 -82.5975 -66.3634 -212.444 8.01692 -158.548 -52.8493 -149.042 PRESSAVG: 3240800 -52.3509 79.1171 -28.2631 79.1172 37.5397 45.4345 -28.2631 45.4345 -28.5783 GPRESSAVG: 3240800 -53.347 78.333 -28.5566 78.1251 38.3651 45.8321 -26.5895 45.8034 -28.3813 TIMING: 3240800 CPU: 9652.24, 0.00293145/step Wall: 9652.24, 0.00293145/step, 1.4325 hours remaining, 207.253906 MB of memory in use. ENERGY: 3240800 780.3492 2114.3188 1941.2749 112.2497 -206125.5479 17706.3467 0.0000 0.0000 34219.8745 -149251.1341 298.8507 -183471.0085 -149157.9673 299.6267 -172.1693 -140.3653 557616.5108 -14.4631 -14.4544 PRESSURE: 3241000 -178.744 -89.2042 -305.932 -89.2035 22.6987 -168.057 -305.932 -168.059 -87.4393 GPRESSURE: 3241000 -126.735 -21.6594 -302.65 -176.109 25.3394 -171.741 -376.474 -33.6832 -62.1677 PRESSAVG: 3241000 -1.30306 30.424 -59.6602 30.424 -33.3904 -11.8182 -59.6601 -11.8182 57.8483 GPRESSAVG: 3241000 -1.10157 29.4934 -58.4074 31.2528 -34.1628 -12.0864 -62.198 -9.77395 58.3933 TIMING: 3241000 CPU: 9652.83, 0.00294264/step Wall: 9652.83, 0.00294264/step, 1.43781 hours remaining, 207.253906 MB of memory in use. ENERGY: 3241000 784.0616 2050.4303 1933.5755 121.7929 -206030.1316 17642.1143 0.0000 0.0000 34239.5299 -149258.6272 299.0223 -183498.1571 -149171.7310 299.7099 -81.1615 -54.5211 556767.6439 7.7183 7.7096 PRESSURE: 3241200 128.02 -1.77209 88.3558 -1.77251 -387.54 -22.6919 88.3558 -22.6916 117.402 GPRESSURE: 3241200 120.296 -14.5508 157.34 61.8193 -333.656 -37.6262 113.592 40.5833 150.537 PRESSAVG: 3241200 -29.8817 24.9663 -78.2856 24.9662 -33.1897 19.0954 -78.2855 19.0954 27.1906 GPRESSAVG: 3241200 -29.4409 24.2871 -78.6811 27.6563 -32.6523 19.1318 -77.1515 17.1943 25.3784 TIMING: 3241200 CPU: 9653.41, 0.00294365/step Wall: 9653.41, 0.00294365/step, 1.43814 hours remaining, 207.253906 MB of memory in use. ENERGY: 3241200 778.1693 2079.1456 1970.1364 118.4128 -206293.4828 17817.4346 0.0000 0.0000 34220.3529 -149309.8312 298.8549 -183530.1841 -149210.4244 299.3698 -47.3727 -20.9410 557232.3667 -11.9603 -12.2383 PRESSURE: 3241400 390.053 18.0518 -118.22 18.0514 99.8975 112.451 -118.22 112.451 -121.174 GPRESSURE: 3241400 431.758 34.1767 -83.8562 -23.1716 110.218 59.8103 -101.866 124.984 -85.5015 PRESSAVG: 3241400 32.483 40.8506 -12.2501 40.8507 -6.39897 -0.702559 -12.2502 -0.702556 -43.4431 GPRESSAVG: 3241400 30.9447 41.947 -14.4655 39.9327 -5.62764 -0.560476 -11.7745 0.211399 -42.749 TIMING: 3241400 CPU: 9654, 0.002944/step Wall: 9654, 0.002944/step, 1.43814 hours remaining, 207.253906 MB of memory in use. ENERGY: 3241400 716.6027 2128.4693 1913.3371 98.7137 -206343.3553 17910.0054 0.0000 0.0000 34277.8212 -149298.4060 299.3567 -183576.2271 -149211.2080 298.8031 122.9253 152.1580 556355.6967 -5.7863 -5.8107 PRESSURE: 3241600 36.222 78.3178 -91.1617 78.3179 19.5641 -0.242658 -91.1617 -0.241281 98.8849 GPRESSURE: 3241600 55.2026 82.6192 -163.186 59.9351 81.5658 -8.0199 -96.3041 -23.1489 115.013 PRESSAVG: 3241600 -46.1067 -0.443909 42.6126 -0.443959 33.8874 1.08199 42.6127 1.08202 38.7794 GPRESSAVG: 3241600 -45.888 -1.42983 42.9864 -0.417934 32.2364 -0.406797 42.001 1.35223 39.9028 TIMING: 3241600 CPU: 9654.59, 0.00293055/step Wall: 9654.59, 0.00293055/step, 1.43141 hours remaining, 207.253906 MB of memory in use. ENERGY: 3241600 742.6822 2093.1136 1924.6233 123.3420 -206381.2527 17981.8674 0.0000 0.0000 34341.7223 -149173.9018 299.9148 -183515.6241 -149070.6294 299.7372 51.5570 83.9271 557910.0659 8.8534 8.7504 PRESSURE: 3241800 -66.1702 -130.667 -70.55 -130.666 -174.051 -114.066 -70.5505 -114.066 -217.446 GPRESSURE: 3241800 -10.2295 -122.512 -32.935 -165.312 -118.749 -150.326 -89.0268 -72.7821 -237.287 PRESSAVG: 3241800 -1.267 -30.7532 -17.8282 -30.7531 49.9113 -25.0147 -17.8281 -25.0147 -67.6539 GPRESSAVG: 3241800 -0.758282 -27.8869 -18.2007 -32.3563 50.5169 -22.9549 -18.6344 -25.8914 -69.0221 TIMING: 3241800 CPU: 9655.17, 0.00291659/step Wall: 9655.17, 0.00291659/step, 1.42443 hours remaining, 207.253906 MB of memory in use. ENERGY: 3241800 734.9344 2086.0151 1949.6216 124.3999 -205918.3455 17730.6486 0.0000 0.0000 34359.4427 -148933.2832 300.0696 -183292.7259 -148833.8471 300.2492 -152.5559 -122.0885 559175.2425 -6.3366 -6.4212 PRESSURE: 3242000 -206.656 -92.7607 -165.885 -92.7614 -337.465 18.5853 -165.886 18.5846 -110.236 GPRESSURE: 3242000 -105.812 -111.093 -208.055 -104.839 -333.53 11.0697 -122.397 47.43 -115.54 PRESSAVG: 3242000 94.6828 -31.6141 -23.4215 -31.6141 -21.6018 10.424 -23.4215 10.424 -75.8265 GPRESSAVG: 3242000 95.3448 -34.789 -24.1342 -28.4251 -21.6968 8.67125 -22.818 9.60402 -76.0103 TIMING: 3242000 CPU: 9655.76, 0.0029314/step Wall: 9655.76, 0.0029314/step, 1.4315 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3242000 755.9549 2088.1387 1929.7352 113.7825 -206259.8207 17830.4555 0.0000 0.0000 34420.6826 -149121.0713 300.6044 -183541.7539 -149017.1921 300.0562 -218.1192 -184.9606 559071.9417 -0.9152 -0.7874 PRESSURE: 3242200 73.7051 -50.81 57.8945 -50.8087 -156.788 256.013 57.8944 256.014 106.24 GPRESSURE: 3242200 129.737 -73.401 40.8136 67.8704 -65.9591 301.511 79.991 192.662 48.52 PRESSAVG: 3242200 50.3034 -25.5891 -50.815 -25.5892 -6.80021 30.8744 -50.8151 30.8745 -37.6879 GPRESSAVG: 3242200 49.8942 -23.3407 -51.5097 -26.6116 -6.35323 33.5154 -49.9336 31.7566 -37.6832 TIMING: 3242200 CPU: 9656.34, 0.00293149/step Wall: 9656.34, 0.00293149/step, 1.43138 hours remaining, 207.253906 MB of memory in use. ENERGY: 3242200 757.2179 2054.7785 1916.0782 114.8300 -206527.7369 18141.8931 0.0000 0.0000 34176.4015 -149366.5378 298.4710 -183542.9392 -149276.5129 299.4976 7.7189 37.4327 558757.8992 1.9384 1.9526 PRESSURE: 3242400 63.3536 9.24316 138.721 9.24231 96.5931 -20.9868 138.72 -20.9865 103.955 GPRESSURE: 3242400 128.569 -52.7794 73.455 55.5149 51.5617 -26.6332 186.604 -30.1529 183.94 PRESSAVG: 3242400 -2.91069 -2.3097 60.1495 -2.30977 -36.064 1.95799 60.1496 1.95808 -26.8708 GPRESSAVG: 3242400 -3.74619 -3.21804 62.7089 -4.03322 -36.5225 1.1043 60.1369 2.13416 -25.5375 TIMING: 3242400 CPU: 9656.93, 0.00291848/step Wall: 9656.93, 0.00291848/step, 1.42487 hours remaining, 207.253906 MB of memory in use. ENERGY: 3242400 727.9858 2083.9604 1935.3531 128.3877 -206283.1906 17885.1482 0.0000 0.0000 34401.3193 -149121.0362 300.4353 -183522.3554 -149018.1585 299.5678 87.9674 121.3569 557279.8005 -21.9485 -21.9354 PRESSURE: 3242600 236.949 102.635 -120.29 102.636 154.66 59.586 -120.292 59.5866 248.399 GPRESSURE: 3242600 253.389 94.398 -51.1622 82.5842 232.331 -30.6036 -159.419 33.39 245.256 PRESSAVG: 3242600 13.3901 -31.6886 22.6182 -31.6887 3.31889 9.14542 22.6182 9.1453 -16.2736 GPRESSAVG: 3242600 14.3115 -30.6391 21.6912 -31.7317 3.03851 9.20792 23.6381 9.52186 -17.4904 TIMING: 3242600 CPU: 9657.51, 0.00292596/step Wall: 9657.51, 0.00292596/step, 1.42836 hours remaining, 207.253906 MB of memory in use. ENERGY: 3242600 748.3293 2067.7185 1919.2488 124.2974 -206118.7513 17982.2489 0.0000 0.0000 34339.5494 -148937.3590 299.8958 -183276.9084 -148831.9030 300.1868 213.3357 243.6585 555949.7629 0.1451 -0.0468 PRESSURE: 3242800 -366.157 -123.808 54.2723 -123.808 -10.9224 92.4132 54.2728 92.4146 -92.0808 GPRESSURE: 3242800 -314.249 -190.199 7.28641 -132.116 -18.9587 44.9303 69.6883 59.3418 -34.3631 PRESSAVG: 3242800 -32.6592 -49.5819 5.21655 -49.5819 14.2525 18.9558 5.21654 18.9558 4.00828 GPRESSAVG: 3242800 -32.8805 -49.4316 5.51557 -47.8557 14.0342 18.2628 3.27594 18.1903 3.35577 TIMING: 3242800 CPU: 9658.1, 0.00295298/step Wall: 9658.1, 0.00295298/step, 1.44138 hours remaining, 207.253906 MB of memory in use. ENERGY: 3242800 760.6340 2064.8374 1946.9365 107.3323 -205840.2506 17656.9811 0.0000 0.0000 34300.1327 -149003.3967 299.5516 -183303.5293 -148902.7619 299.7184 -156.3866 -122.5237 558350.3502 -4.7995 -5.1635 PRESSURE: 3243000 -59.9422 141.801 41.8671 141.802 166.889 81.1738 41.8672 81.173 -95.3326 GPRESSURE: 3243000 -12.628 135.209 104.365 54.9295 208.305 102.303 11.3308 -6.92344 -95.066 PRESSAVG: 3243000 6.29423 -46.5796 -4.59957 -46.5796 35.7812 41.4527 -4.59951 41.4527 -36.4029 GPRESSAVG: 3243000 6.8777 -46.9204 -2.60894 -46.9153 34.8719 41.79 -5.53747 41.5818 -36.3225 TIMING: 3243000 CPU: 9658.69, 0.00293676/step Wall: 9658.69, 0.00293676/step, 1.4333 hours remaining, 207.253906 MB of memory in use. ENERGY: 3243000 784.5815 2103.0392 1930.2186 116.1862 -206032.7176 17730.4377 0.0000 0.0000 34449.7889 -148918.4655 300.8586 -183368.2544 -148815.5767 300.0430 3.8713 33.5369 556619.1653 1.8908 1.8091 PRESSURE: 3243200 53.8838 -82.1338 68.6848 -82.1333 293.69 153.639 68.6844 153.639 -66.7748 GPRESSURE: 3243200 98.025 -82.4915 100.342 -113.258 321.226 179.102 28.1223 132.056 -41.2388 PRESSAVG: 3243200 11.5589 -36.2591 12.6458 -36.2592 82.0241 71.6233 12.6459 71.6233 -39.4361 GPRESSAVG: 3243200 10.9724 -36.2644 12.206 -38.4316 82.8941 69.7827 12.8756 72.016 -39.3278 TIMING: 3243200 CPU: 9659.28, 0.00293311/step Wall: 9659.28, 0.00293311/step, 1.43136 hours remaining, 207.253906 MB of memory in use. ENERGY: 3243200 749.8309 2122.9742 1924.9934 120.6483 -206337.0402 17977.3566 0.0000 0.0000 34560.7049 -148880.5319 301.8272 -183441.2369 -148777.8334 300.3842 93.5995 126.0039 556573.4785 18.0490 18.1796 PRESSURE: 3243400 -44.5896 218.776 -4.69336 218.776 157.786 -137.262 -4.69197 -137.263 -119.229 GPRESSURE: 3243400 22.4181 192.036 103.648 110.182 139.594 -150.436 -37.8381 -145.934 -66.3629 PRESSAVG: 3243400 5.66242 -30.1162 23.7629 -30.1162 31.6965 14.9075 23.7629 14.9076 -32.7563 GPRESSAVG: 3243400 5.66587 -30.4278 21.0311 -29.4305 31.8335 16.2472 25.0453 14.4537 -33.0079 TIMING: 3243400 CPU: 9659.86, 0.00291848/step Wall: 9659.86, 0.00291848/step, 1.42406 hours remaining, 207.253906 MB of memory in use. ENERGY: 3243400 745.0426 2077.4402 1919.1695 106.7999 -205618.2990 17766.3922 0.0000 0.0000 34280.2607 -148723.1939 299.3780 -183003.4546 -148620.7081 300.6986 -2.0108 31.8830 558136.6354 1.5342 1.4972 PRESSURE: 3243600 -328.348 17.2303 -17.0622 17.2312 -261.57 124.037 -17.0607 124.038 -36.9994 GPRESSURE: 3243600 -236.365 -53.2635 -21.4777 -15.3557 -303.97 164.368 -27.6652 48.7849 19.0311 PRESSAVG: 3243600 -35.0309 39.3513 -2.21004 39.3512 14.2249 31.0263 -2.21002 31.0261 -11.833 GPRESSAVG: 3243600 -34.7133 39.8975 -1.69915 38.9111 13.7104 29.3541 -3.84938 32.9093 -11.7573 TIMING: 3243600 CPU: 9660.45, 0.0029381/step Wall: 9660.45, 0.0029381/step, 1.43346 hours remaining, 207.253906 MB of memory in use. ENERGY: 3243600 748.4231 2150.8954 1954.3559 113.1295 -205571.5561 17442.1008 0.0000 0.0000 34612.8985 -148549.7528 302.2831 -183162.6513 -148454.8167 300.5997 -208.9725 -173.7682 559571.5745 -10.8796 -10.9201 PRESSURE: 3243800 -41.255 34.6725 35.5151 34.6728 -169.109 29.723 35.5138 29.7235 -45.8747 GPRESSURE: 3243800 -60.076 53.485 -15.0782 25.3294 -107.331 21.5893 56.5683 58.0373 6.1338 PRESSAVG: 3243800 -70.5499 -55.0517 -12.7561 -55.0517 50.1817 32.2466 -12.756 32.2468 -22.7766 GPRESSAVG: 3243800 -71.024 -57.4494 -12.1125 -53.7415 50.3521 32.1461 -11.3871 31.127 -22.0211 TIMING: 3243800 CPU: 9661.04, 0.00294575/step Wall: 9661.04, 0.00294575/step, 1.43703 hours remaining, 207.253906 MB of memory in use. ENERGY: 3243800 742.9182 2059.0764 1899.4037 116.2199 -205415.7168 17578.7571 0.0000 0.0000 34436.7807 -148582.5608 300.7450 -183019.3415 -148479.8620 301.0430 -85.4128 -53.7578 559385.7580 -14.3816 -14.2310 PRESSURE: 3244000 -114.461 102.514 -20.7607 102.513 132.081 -91.0298 -20.7594 -91.0308 25.5115 GPRESSURE: 3244000 -78.1031 145.77 -43.2866 73.7636 174.718 -79.9853 -39.2284 -78.1052 35.3358 PRESSAVG: 3244000 -48.7473 28.2057 -29.0436 28.2056 0.767465 31.3173 -29.0435 31.3172 87.4004 GPRESSAVG: 3244000 -48.2244 32.1223 -28.3512 26.8831 0.758669 34.1066 -29.5259 30.6734 86.8308 TIMING: 3244000 CPU: 9661.63, 0.00295778/step Wall: 9661.63, 0.00295778/step, 1.44274 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3244000 755.0131 2060.1170 1956.3934 109.0611 -205561.0848 17683.2257 0.0000 0.0000 34357.1643 -148640.1101 300.0497 -182997.2744 -148538.2970 300.8512 14.3771 43.9835 557725.4410 13.1402 13.1217 PRESSURE: 3244200 -68.6561 -168.882 84.3047 -168.882 -223.195 -31.1279 84.3039 -31.1279 136.378 GPRESSURE: 3244200 -20.1068 -146.628 116.12 -183.047 -199.889 -47.6731 36.19 36.7585 159.691 PRESSAVG: 3244200 7.40241 2.66188 -11.4323 2.66192 -33.1843 -16.3173 -11.4323 -16.3174 24.1855 GPRESSAVG: 3244200 7.48765 1.18959 -12.1196 1.72601 -32.6618 -16.5405 -9.55505 -15.706 23.2574 TIMING: 3244200 CPU: 9662.22, 0.00295728/step Wall: 9662.22, 0.00295728/step, 1.44233 hours remaining, 207.253906 MB of memory in use. ENERGY: 3244200 735.7413 2111.1361 1939.1880 116.8485 -205753.6079 17646.4141 0.0000 0.0000 34546.4779 -148657.8019 301.7030 -183204.2798 -148564.8372 300.9740 -51.8243 -20.1017 557368.2856 -0.5321 -0.6389 LDB: ============= START OF LOAD BALANCING ============== 9665.77 LDB: ============== END OF LOAD BALANCING =============== 9665.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9665.77 LDB: ============= START OF LOAD BALANCING ============== 9666.07 LDB: Largest compute 4772 load 0.028721 is 24.3% of average load 0.118260 LDB: Average compute 0.001722 is 1.5% of average load 0.118260 LDB: TIME 9666.07 LOAD: AVG 0.11826 MAX 0.19727 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 9666.07 LOAD: AVG 0.11826 MAX 0.19727 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: TIME 9666.07 LOAD: AVG 0.11826 MAX 0.19727 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9666.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9666.08 PRESSURE: 3244400 -222.076 -86.007 63.4198 -86.0074 -144.377 59.1674 63.4201 59.1678 -108.336 GPRESSURE: 3244400 -174.982 -25.7421 82.7256 -91.9029 -59.6632 90.8397 110.202 -11.8566 -143.779 PRESSAVG: 3244400 -38.8587 -0.648708 -44.2343 -0.648721 6.32863 32.8108 -44.2344 32.8107 65.1125 GPRESSAVG: 3244400 -39.0084 -1.27704 -45.595 0.472774 4.56927 32.8519 -45.4827 30.639 66.7119 TIMING: 3244400 CPU: 9662.82, 0.00301655/step Wall: 9662.82, 0.00301655/step, 1.47107 hours remaining, 207.253906 MB of memory in use. ENERGY: 3244400 784.3312 2108.5325 1931.7143 120.6716 -205667.4677 17524.1530 0.0000 0.0000 34609.2511 -148588.8140 302.2512 -183198.0651 -148488.2967 301.2595 -158.2632 -126.1414 556730.8163 10.8608 10.7576 PRESSURE: 3244600 -156.447 86.3301 -66.7974 86.3309 -151.987 -28.515 -66.7982 -28.5172 32.686 GPRESSURE: 3244600 -167.58 97.2634 11.0724 -49.1085 -65.2122 79.8122 -99.6066 -133.797 37.5817 PRESSAVG: 3244600 -33.412 46.1998 -13.1174 46.1999 -12.1872 23.3057 -13.1174 23.3056 41.3614 GPRESSAVG: 3244600 -32.9465 45.5569 -11.5212 46.1328 -11.6451 24.4899 -11.7806 23.3776 40.2759 TIMING: 3244600 CPU: 9663.41, 0.00294884/step Wall: 9663.41, 0.00294884/step, 1.43789 hours remaining, 207.253906 MB of memory in use. ENERGY: 3244600 765.6257 2030.7682 1923.2632 111.3767 -205677.4790 17561.6215 0.0000 0.0000 34558.4642 -148726.3595 301.8077 -183284.8237 -148623.3594 301.2025 -91.9161 -65.0701 557984.9697 -1.4126 -1.4386 PRESSURE: 3244800 153.846 77.5568 195.917 77.5579 -28.961 1.11806 195.916 1.11904 -43.5331 GPRESSURE: 3244800 184.833 25.7614 185.233 27.4484 -1.09968 26.7946 190.632 -106.786 -3.99212 PRESSAVG: 3244800 42.4691 3.23782 30.1903 3.23796 -66.6727 -14.2336 30.1902 -14.2335 57.7391 GPRESSAVG: 3244800 40.7001 4.63242 29.2335 5.24459 -66.3513 -15.6283 28.9659 -12.7948 59.4512 TIMING: 3244800 CPU: 9664, 0.00294459/step Wall: 9664, 0.00294459/step, 1.43565 hours remaining, 207.496094 MB of memory in use. ENERGY: 3244800 772.4978 2099.9838 1935.5178 114.4808 -206272.3245 17800.3712 0.0000 0.0000 34705.3521 -148844.1208 303.0905 -183549.4729 -148752.2266 300.8235 27.1174 59.9138 557127.6520 11.1785 11.2667 PRESSURE: 3245000 -100.098 -25.122 -170.383 -25.1215 -32.0524 -129.717 -170.382 -129.717 75.6875 GPRESSURE: 3245000 -63.0482 49.1761 -88.699 -13.6917 -24.1054 -100.659 -261.991 -137.221 128.793 PRESSAVG: 3245000 11.2416 -30.4242 10.6079 -30.4242 -54.1568 43.6928 10.608 43.6929 112.992 GPRESSAVG: 3245000 11.2308 -29.8194 11.1343 -32.7074 -53.3452 44.9619 10.6463 44.2437 112.088 TIMING: 3245000 CPU: 9664.59, 0.00292716/step Wall: 9664.59, 0.00292716/step, 1.42699 hours remaining, 207.496094 MB of memory in use. ENERGY: 3245000 753.1554 2088.3569 1910.1533 117.5431 -206188.9318 17892.3871 0.0000 0.0000 34414.6208 -149012.7152 300.5514 -183427.3360 -148915.5321 300.6216 -18.8211 13.8798 557536.4411 23.3590 23.3244 PRESSURE: 3245200 109.94 40.6317 278.402 40.632 -260.15 53.9448 278.403 53.9463 116.264 GPRESSURE: 3245200 176.784 13.2841 271.003 32.4947 -240.555 70.2108 384.816 73.8924 126.911 PRESSAVG: 3245200 32.029 -30.7721 -15.9025 -30.7719 -45.7702 -18.4891 -15.9025 -18.4892 1.86749 GPRESSAVG: 3245200 32.8704 -29.3551 -17.143 -32.822 -45.5321 -20.9665 -13.5545 -18.0383 1.1382 TIMING: 3245200 CPU: 9665.18, 0.00293593/step Wall: 9665.18, 0.00293593/step, 1.4311 hours remaining, 207.496094 MB of memory in use. ENERGY: 3245200 759.5682 2107.2324 1931.6664 120.1855 -206257.0969 17856.0028 0.0000 0.0000 34250.7700 -149231.6717 299.1205 -183482.4417 -149139.0002 300.0449 -11.3153 21.0465 556151.4129 -3.9579 -3.8412 PRESSURE: 3245400 -23.4102 36.1061 -96.005 36.107 11.2455 204.511 -96.0056 204.511 -4.32194 GPRESSURE: 3245400 -91.4928 47.8143 -94.1744 -65.4115 118.588 239.324 -57.2573 68.1559 45.1019 PRESSAVG: 3245400 5.81048 -35.1583 22.3448 -35.1583 9.83421 69.7741 22.3449 69.774 -19.4422 GPRESSAVG: 3245400 4.54244 -37.2134 24.8361 -33.7572 8.76519 71.0839 18.9604 66.7268 -17.7059 TIMING: 3245400 CPU: 9665.77, 0.00295868/step Wall: 9665.77, 0.00295868/step, 1.44203 hours remaining, 207.496094 MB of memory in use. ENERGY: 3245400 747.0490 2063.1953 1926.9954 118.5531 -206042.1637 17734.6195 0.0000 0.0000 34323.8500 -149127.9014 299.7587 -183451.7514 -149031.9866 299.4655 -5.4956 24.0656 558058.9801 -1.2659 -1.4661 PRESSURE: 3245600 -101.393 68.6312 -9.86748 68.6308 -161.75 -26.0926 -9.86686 -26.0934 -77.4991 GPRESSURE: 3245600 -83.6635 67.5006 -39.2306 164.004 -120.381 -30.8876 28.0431 80.7285 -42.0416 PRESSAVG: 3245600 27.2783 -34.711 29.2745 -34.7111 17.4135 41.5397 29.2745 41.5397 -45.7654 GPRESSAVG: 3245600 28.545 -35.9767 29.0821 -31.6742 16.6481 41.3156 31.2291 44.6698 -46.7262 TIMING: 3245600 CPU: 9666.35, 0.00292231/step Wall: 9666.35, 0.00292231/step, 1.42414 hours remaining, 207.496094 MB of memory in use. ENERGY: 3245600 746.5942 2146.2860 1896.9617 109.3074 -205589.0648 17435.7275 0.0000 0.0000 34192.7394 -149061.4485 298.6137 -183254.1879 -148971.0334 299.4124 -113.5475 -82.0288 557672.0270 -0.3579 -0.5111 PRESSURE: 3245800 -436.282 -47.4717 -23.2398 -47.4719 -78.5511 -102.166 -23.2389 -102.166 -230.487 GPRESSURE: 3245800 -409.37 -51.4463 -23.888 -35.51 -36.4507 -84.4262 -21.5282 -170.023 -217.558 PRESSAVG: 3245800 60.4263 -5.60177 9.99968 -5.60172 -12.0856 22.9055 9.99973 22.9055 -86.6263 GPRESSAVG: 3245800 59.315 -2.61162 9.58836 -8.64306 -10.0735 22.8411 8.83406 20.5254 -87.9991 TIMING: 3245800 CPU: 9666.94, 0.00295624/step Wall: 9666.94, 0.00295624/step, 1.44051 hours remaining, 207.496094 MB of memory in use. ENERGY: 3245800 776.4846 2088.1265 1950.9566 126.5288 -205762.2727 17449.2356 0.0000 0.0000 34384.6041 -148986.3366 300.2893 -183370.9406 -148896.8098 299.8336 -248.4399 -221.1261 558836.8103 -12.7619 -12.9192 PRESSURE: 3246000 -211.703 18.683 -14.848 18.6817 -23.3813 -24.1911 -14.8475 -24.191 -322.157 GPRESSURE: 3246000 -130.699 89.4333 -44.1073 -8.94542 -35.0802 -99.415 34.3881 16.064 -280.216 PRESSAVG: 3246000 -69.9309 50.2686 -9.21156 50.2686 80.568 -42.7284 -9.21149 -42.7284 -38.0368 GPRESSAVG: 3246000 -69.371 48.1246 -8.25277 52.1504 79.8826 -43.7702 -9.02345 -37.9726 -38.0812 TIMING: 3246000 CPU: 9667.54, 0.0029769/step Wall: 9667.54, 0.0029769/step, 1.45041 hours remaining, 207.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3246000 745.1680 2079.7175 1951.4448 95.0325 -206062.1792 17670.8402 0.0000 0.0000 34571.6918 -148948.2843 301.9232 -183519.9761 -148854.3604 300.7987 -185.7471 -148.6652 557655.3622 -9.1332 -9.1898 PRESSURE: 3246200 50.8011 -90.3745 41.7776 -90.3737 -165.188 -92.6126 41.7769 -92.6143 -62.4433 GPRESSURE: 3246200 101.814 -172.516 56.1093 -4.04223 -154.649 -111.649 43.8458 -138.841 -21.1514 PRESSAVG: 3246200 -16.1378 44.9207 -24.6351 44.9207 43.255 -71.1004 -24.6351 -71.1005 -6.19619 GPRESSAVG: 3246200 -16.4735 45.6794 -24.9563 45.3783 42.901 -69.9835 -24.7229 -73.2385 -5.18519 TIMING: 3246200 CPU: 9668.14, 0.00298561/step Wall: 9668.14, 0.00298561/step, 1.45449 hours remaining, 207.496094 MB of memory in use. ENERGY: 3246200 782.6881 2067.8719 1914.1104 115.5543 -205626.3253 17515.7999 0.0000 0.0000 34300.9315 -148929.3691 299.5586 -183230.3006 -148840.5591 300.1206 -58.9434 -24.6621 557199.0152 6.9737 7.0808 PRESSURE: 3246400 36.9598 88.1923 -147.468 88.1922 19.2721 -39.9608 -147.469 -39.9605 -223.771 GPRESSURE: 3246400 54.7024 133.284 -183.557 154.928 42.0978 -33.0075 -72.2064 12.6497 -172.526 PRESSAVG: 3246400 25.5022 -21.6492 -24.9329 -21.6491 19.4912 -2.02663 -24.9329 -2.02671 -30.6892 GPRESSAVG: 3246400 25.8901 -20.0982 -24.855 -24.3962 19.518 -4.27053 -24.0069 -1.10855 -30.8902 TIMING: 3246400 CPU: 9668.73, 0.00296816/step Wall: 9668.73, 0.00296816/step, 1.44582 hours remaining, 207.496094 MB of memory in use. ENERGY: 3246400 765.8194 2078.6707 1908.2330 109.9027 -206030.3559 17681.2914 0.0000 0.0000 34553.9916 -148932.4471 301.7686 -183486.4387 -148835.7183 300.8238 -55.8462 -25.2420 555817.9085 4.7681 4.8393 PRESSURE: 3246600 6.84729 -79.312 138.064 -79.3111 -69.6074 -24.8855 138.064 -24.8859 111.526 GPRESSURE: 3246600 65.9323 -148.699 107.812 -7.38264 -73.3137 -16.4777 172.846 -71.1239 151.1 PRESSAVG: 3246600 27.7494 1.38644 -6.57092 1.38637 -63.8621 30.1902 -6.57102 30.1901 -14.0988 GPRESSAVG: 3246600 28.1728 -1.52234 -9.60597 3.20069 -65.6602 31.9381 -6.47954 29.135 -12.8299 TIMING: 3246600 CPU: 9669.32, 0.00297201/step Wall: 9669.32, 0.00297201/step, 1.44753 hours remaining, 207.496094 MB of memory in use. ENERGY: 3246600 716.4114 2044.3580 1907.8603 116.4161 -205579.2879 17396.8730 0.0000 0.0000 34331.9361 -149065.4332 299.8293 -183397.3692 -148961.8282 300.0329 16.2552 47.9063 555969.0093 -16.7372 -16.7724 PRESSURE: 3246800 76.9214 -3.99935 -29.0396 -3.99987 6.86326 74.9956 -29.0394 74.995 67.2168 GPRESSURE: 3246800 75.1095 83.1694 47.8164 -20.4762 76.5938 68.6752 -129.273 77.5928 96.241 PRESSAVG: 3246800 35.1119 34.4454 -4.58401 34.4455 20.7574 9.29062 -4.58392 9.2906 -9.52513 GPRESSAVG: 3246800 33.4982 34.3673 -2.26947 33.8041 22.6869 8.35127 -4.11796 10.3105 -9.72938 TIMING: 3246800 CPU: 9669.91, 0.00295234/step Wall: 9669.91, 0.00295234/step, 1.43779 hours remaining, 207.496094 MB of memory in use. ENERGY: 3246800 752.0933 2024.4147 1928.1672 118.1350 -206165.3685 17880.5019 0.0000 0.0000 34235.6415 -149226.4149 298.9884 -183462.0565 -149124.2589 299.7579 50.3338 82.6481 557484.7082 15.4480 15.4853 PRESSURE: 3247000 -236.453 75.1289 17.071 75.1281 -288.495 51.0465 17.0717 51.0462 34.5965 GPRESSURE: 3247000 -233.602 27.5587 18.9722 118.135 -279.983 110.104 -30.9356 58.8288 120.543 PRESSAVG: 3247000 -20.6155 4.81547 -21.4662 4.81552 34.787 28.2741 -21.4662 28.2741 16.735 GPRESSAVG: 3247000 -20.9202 7.0102 -24.1082 4.10371 35.0978 29.5606 -21.3062 28.3511 17.1237 TIMING: 3247000 CPU: 9670.5, 0.0029478/step Wall: 9670.5, 0.0029478/step, 1.43541 hours remaining, 207.496094 MB of memory in use. ENERGY: 3247000 740.4820 2069.5401 1906.2222 105.2921 -205869.9082 17573.5017 0.0000 0.0000 34230.1486 -149244.7214 298.9404 -183474.8700 -149144.2702 299.0816 -163.4506 -131.0141 558856.8943 10.3021 10.4338 PRESSURE: 3247200 -71.6318 -16.7904 97.6824 -16.7896 -46.3908 -95.1052 97.684 -95.1046 9.49231 GPRESSURE: 3247200 -41.8151 77.4429 99.5826 -0.487774 40.0355 -69.2875 184.22 -110.093 -9.36199 PRESSAVG: 3247200 -58.0466 -18.3408 18.0314 -18.3408 69.3297 -20.8446 18.0314 -20.8445 -23.5085 GPRESSAVG: 3247200 -57.3597 -20.7524 20.5711 -14.6657 69.1538 -21.2198 15.6087 -20.975 -24.3839 TIMING: 3247200 CPU: 9671.09, 0.00293707/step Wall: 9671.09, 0.00293707/step, 1.43003 hours remaining, 207.496094 MB of memory in use. ENERGY: 3247200 753.0182 2053.9622 1906.5798 107.1014 -205849.4729 17643.8506 0.0000 0.0000 34271.6894 -149113.2712 299.3032 -183384.9606 -149020.9932 299.2565 -36.1768 -3.7139 558126.8629 -4.0751 -4.1966 PRESSURE: 3247400 -338.545 53.2998 -20.9749 53.2998 66.6624 -152.868 -20.9752 -152.868 75.2075 GPRESSURE: 3247400 -250.048 85.9167 -57.6804 110.997 59.2621 -179.837 -12.943 -129.82 72.435 PRESSAVG: 3247400 -37.5524 11.2633 -49.0708 11.2634 14.123 -40.5154 -49.0708 -40.5154 28.5432 GPRESSAVG: 3247400 -37.4849 12.7353 -48.6677 9.30516 14.06 -41.244 -46.7264 -40.4827 28.3389 TIMING: 3247400 CPU: 9671.68, 0.00294597/step Wall: 9671.68, 0.00294597/step, 1.4342 hours remaining, 207.496094 MB of memory in use. ENERGY: 3247400 708.4606 2034.5028 1940.5726 118.8193 -206040.8071 17736.9549 0.0000 0.0000 34204.7774 -149296.7195 298.7188 -183501.4969 -149204.6879 298.7347 -65.5585 -39.4504 558182.0843 1.7046 1.6380 PRESSURE: 3247600 -204.302 68.8482 -264.61 68.8473 -96.9757 40.2225 -264.61 40.2226 -259.062 GPRESSURE: 3247600 -192.014 107.105 -215.79 47.9332 -94.287 5.12257 -252.71 64.8464 -180.803 PRESSAVG: 3247600 -42.3278 22.3064 -12.0455 22.3064 -38.7054 -39.4422 -12.0456 -39.4424 28.0938 GPRESSAVG: 3247600 -42.6103 22.3161 -11.3192 21.8847 -38.0891 -36.9686 -13.4716 -40.1799 28.0472 TIMING: 3247600 CPU: 9672.27, 0.00294737/step Wall: 9672.27, 0.00294737/step, 1.43471 hours remaining, 207.496094 MB of memory in use. ENERGY: 3247600 744.1528 2117.2615 1929.7862 105.4168 -205800.8374 17638.1163 0.0000 0.0000 34111.8653 -149154.2385 297.9074 -183266.1037 -149067.1475 298.9281 -186.7800 -155.7013 559518.4610 -17.6464 -17.5508 PRESSURE: 3247800 171.607 -32.2345 113.29 -32.2349 228.7 106.229 113.292 106.231 203.992 GPRESSURE: 3247800 244.681 -27.8468 4.30672 77.3396 235.006 122.368 178.589 25.208 225.317 PRESSAVG: 3247800 -60.3608 1.01151 -32.0709 1.01162 31.7363 5.13121 -32.0709 5.13122 5.00093 GPRESSAVG: 3247800 -60.0077 0.459415 -33.1494 2.57409 30.2756 4.4054 -31.5056 5.54791 5.66333 TIMING: 3247800 CPU: 9672.86, 0.00295919/step Wall: 9672.86, 0.00295919/step, 1.4403 hours remaining, 207.496094 MB of memory in use. ENERGY: 3247800 704.8846 2043.1078 1949.0254 124.6191 -206348.1248 18088.6458 0.0000 0.0000 34220.7693 -149217.0728 298.8585 -183437.8421 -149120.8845 299.1201 201.4332 235.0013 557873.7497 -7.8745 -8.0229 PRESSURE: 3248000 62.1579 -149.306 20.0187 -149.306 -16.0853 112.261 20.0191 112.262 81.9858 GPRESSURE: 3248000 50.4833 -104.684 -73.9034 -238.547 90.487 73.8372 92.7369 103.274 66.5381 PRESSAVG: 3248000 -46.4271 -45.0307 -13.0184 -45.0306 38.7683 -40.3895 -13.0185 -40.3894 44.082 GPRESSAVG: 3248000 -46.6845 -42.9824 -14.3504 -49.0031 38.4739 -39.8805 -13.3904 -40.5828 44.2837 TIMING: 3248000 CPU: 9673.46, 0.00297152/step Wall: 9673.46, 0.00297152/step, 1.44614 hours remaining, 207.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3248000 738.7471 2134.5472 1928.7007 125.5702 -205824.8774 17748.4632 0.0000 0.0000 34048.9855 -149099.8634 297.3583 -183148.8489 -149006.7989 299.5281 42.6861 69.1695 558921.1633 12.1410 12.0243 PRESSURE: 3248200 72.4376 -19.2067 -216.103 -19.2057 95.4344 -159.13 -216.101 -159.129 91.2299 GPRESSURE: 3248200 75.478 32.9476 -216.416 -60.2357 148.212 -167.117 -262.052 -86.0278 139.962 PRESSAVG: 3248200 -25.4044 -30.4434 -10.5962 -30.4434 -39.8265 -39.7171 -10.5962 -39.7172 67.1961 GPRESSAVG: 3248200 -24.1224 -30.8676 -9.86127 -27.4986 -40.2946 -41.0356 -9.8427 -39.291 65.9675 TIMING: 3248200 CPU: 9674.05, 0.00294652/step Wall: 9674.05, 0.00294652/step, 1.43381 hours remaining, 207.496094 MB of memory in use. ENERGY: 3248200 737.7594 2105.8855 1912.4577 113.3648 -206169.1935 17865.0276 0.0000 0.0000 34325.2952 -149109.4033 299.7713 -183434.6985 -149016.5859 299.3757 86.3673 121.2172 554869.4149 0.6551 0.5168 LDB: ============= START OF LOAD BALANCING ============== 9677.59 LDB: ============== END OF LOAD BALANCING =============== 9677.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9677.59 LDB: ============= START OF LOAD BALANCING ============== 9677.89 LDB: Largest compute 4772 load 0.027941 is 23.6% of average load 0.118248 LDB: Average compute 0.001724 is 1.5% of average load 0.118248 LDB: TIME 9677.89 LOAD: AVG 0.118248 MAX 0.198482 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 9677.89 LOAD: AVG 0.118248 MAX 0.198482 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: TIME 9677.89 LOAD: AVG 0.118248 MAX 0.198482 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: ============== END OF LOAD BALANCING =============== 9677.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9677.9 PRESSURE: 3248400 -388.089 -2.955 -17.1026 -2.95575 73.5311 49.0747 -17.1015 49.0743 22.3076 GPRESSURE: 3248400 -330.074 8.91005 99.8959 35.4367 107.811 108.011 -62.8369 -6.6969 27.6136 PRESSAVG: 3248400 20.6365 19.1624 -34.9118 19.1624 -23.6994 -20.1688 -34.9119 -20.1688 46.7239 GPRESSAVG: 3248400 20.342 16.6269 -33.7109 19.9994 -24.2169 -18.3204 -36.1893 -20.5601 48.052 TIMING: 3248400 CPU: 9674.65, 0.00301636/step Wall: 9674.65, 0.00301636/step, 1.46763 hours remaining, 207.765625 MB of memory in use. ENERGY: 3248400 758.9982 2095.1863 1940.1106 110.8144 -205939.1836 17600.6496 0.0000 0.0000 34297.7374 -149135.6870 299.5307 -183433.4244 -149044.4249 299.6031 -97.4166 -64.8830 557574.8594 14.5537 14.7257 PRESSURE: 3248600 -222.947 22.5544 26.458 22.5542 61.1212 -76.3047 26.4579 -76.3025 90.2104 GPRESSURE: 3248600 -176.055 8.28667 -1.14227 -53.8867 118.571 -57.3236 51.6073 -115.752 90.3864 PRESSAVG: 3248600 -81.0173 1.66808 -20.3737 1.66809 21.838 -26.8512 -20.3738 -26.8512 23.8309 GPRESSAVG: 3248600 -80.4115 2.74801 -19.1139 0.262593 22.1641 -25.3659 -21.4334 -27.9595 22.8032 TIMING: 3248600 CPU: 9675.25, 0.00299086/step Wall: 9675.25, 0.00299086/step, 1.45505 hours remaining, 207.964844 MB of memory in use. ENERGY: 3248600 757.6947 2131.2429 1927.1048 112.3781 -206053.9113 17606.7982 0.0000 0.0000 34440.9756 -149077.7170 300.7816 -183518.6927 -148981.2498 299.2023 -23.8719 10.9674 557170.1169 -11.7828 -11.8147 PRESSURE: 3248800 187.477 12.4623 -145 12.4627 200.203 29.3425 -145 29.3421 32.5081 GPRESSURE: 3248800 168.474 -15.3371 -86.9059 -3.52085 217.982 47.9961 -170.251 -24.1422 135.055 PRESSAVG: 3248800 -48.0864 -12.7179 3.12794 -12.7179 -4.98058 -57.008 3.12798 -57.008 40.7562 GPRESSAVG: 3248800 -47.9997 -12.4689 1.3007 -13.2999 -4.68838 -60.7092 4.95768 -55.6166 40.152 TIMING: 3248800 CPU: 9675.83, 0.00293133/step Wall: 9675.83, 0.00293133/step, 1.42593 hours remaining, 207.964844 MB of memory in use. ENERGY: 3248800 748.7039 2154.9984 1942.2430 107.1384 -206629.0608 18019.6216 0.0000 0.0000 34449.2569 -149207.0987 300.8539 -183656.3556 -149101.0099 299.7776 140.0627 173.8371 556343.6777 -4.1036 -4.1787 PRESSURE: 3249000 -137.679 87.2433 -122.941 87.2431 -31.7438 -4.45848 -122.942 -4.45682 199.063 GPRESSURE: 3249000 -149.181 117.027 -68.9574 -10.5803 46.8773 81.4159 -136.883 -53.5051 224.74 PRESSAVG: 3249000 -12.6436 -75.4926 -11.8531 -75.4925 -6.40459 -18.7245 -11.8531 -18.7245 101.167 GPRESSAVG: 3249000 -14.4162 -73.9553 -12.2424 -74.3169 -5.73984 -16.2213 -12.9755 -19.2528 102.051 TIMING: 3249000 CPU: 9676.42, 0.00291572/step Wall: 9676.42, 0.00291572/step, 1.41817 hours remaining, 207.964844 MB of memory in use. ENERGY: 3249000 741.2249 2101.2117 1943.7332 109.9692 -206105.9044 17775.5493 0.0000 0.0000 34315.3639 -149118.8522 299.6846 -183434.2161 -149021.6802 299.9162 9.8803 40.8124 557730.8689 27.3730 27.2983 PRESSURE: 3249200 103.747 -12.4976 75.57 -12.4983 -53.4385 -64.0708 75.5713 -64.0704 -118.007 GPRESSURE: 3249200 126.848 -38.2364 95.9188 14.1647 -76.2434 -63.3979 80.369 11.8132 -21.3411 PRESSAVG: 3249200 49.9416 -33.7312 -9.81773 -33.7312 -45.5075 -16.2888 -9.81778 -16.2887 -15.835 GPRESSAVG: 3249200 51.0305 -34.317 -7.61008 -33.8326 -45.1201 -17.6181 -8.81498 -16.3833 -17.0321 TIMING: 3249200 CPU: 9677, 0.0029367/step Wall: 9677, 0.0029367/step, 1.42822 hours remaining, 207.964844 MB of memory in use. ENERGY: 3249200 724.2159 2152.1991 1944.2756 126.5124 -206188.5636 17747.3756 0.0000 0.0000 34263.5552 -149230.4297 299.2321 -183493.9849 -149128.7182 299.7610 -22.5663 9.7545 556489.7353 -3.8003 -3.7072 PRESSURE: 3249400 -45.2111 24.5102 62.2365 24.5104 70.9627 25.1852 62.2377 25.1864 -8.54257 GPRESSURE: 3249400 8.68475 34.9366 33.8945 11.5657 131.443 38.0928 66.7498 -23.2271 -36.6323 PRESSAVG: 3249400 -17.6646 -1.23675 41.6587 -1.23684 64.6519 -7.79517 41.6587 -7.79514 29.4851 GPRESSAVG: 3249400 -16.4014 -3.78713 41.0852 0.685241 63.3519 -8.93278 39.8915 -6.57413 29.9919 TIMING: 3249400 CPU: 9677.59, 0.00294265/step Wall: 9677.59, 0.00294265/step, 1.43094 hours remaining, 207.964844 MB of memory in use. ENERGY: 3249400 759.6368 2165.8107 1918.8023 113.7449 -206223.0640 17739.4063 0.0000 0.0000 34278.2204 -149247.4426 299.3602 -183525.6630 -149147.6904 299.6180 5.7363 34.4984 557370.0127 25.4908 25.6475 PRESSURE: 3249600 -108.787 -18.0814 79.4029 -18.0804 102.109 14.0522 79.4031 14.0521 -149.202 GPRESSURE: 3249600 -18.3799 22.8315 141.034 -45.3256 78.8785 11.1959 -38.0472 37.1381 -128.282 PRESSAVG: 3249600 13.2672 53.7365 -33.9701 53.7366 -5.60756 -2.4708 -33.9701 -2.47084 -2.69131 GPRESSAVG: 3249600 13.5686 55.7712 -35.3902 50.2462 -5.01815 -0.543203 -34.7565 -3.47042 -2.9524 TIMING: 3249600 CPU: 9678.18, 0.00295871/step Wall: 9678.18, 0.00295871/step, 1.43859 hours remaining, 207.964844 MB of memory in use. ENERGY: 3249600 745.3546 2151.7079 1920.1860 111.8761 -206401.7382 17811.3388 0.0000 0.0000 34472.7763 -149188.4985 301.0593 -183661.2748 -149089.5406 299.7927 -51.9603 -22.5945 556462.5634 1.6561 1.8660 PRESSURE: 3249800 -228.919 -7.3393 7.29902 -7.33867 125.094 109.38 7.30021 109.38 20.9831 GPRESSURE: 3249800 -197.483 -24.8357 16.5896 -91.2532 158.621 119.124 -0.394499 137.578 61.2325 PRESSAVG: 3249800 -51.8368 12.6328 -17.009 12.6329 93.7918 -16.0587 -17.0091 -16.0588 -67.22 GPRESSAVG: 3249800 -51.7254 12.8232 -16.4323 12.8642 93.2195 -14.3112 -17.0992 -19.9111 -66.5109 TIMING: 3249800 CPU: 9678.78, 0.00299386/step Wall: 9678.78, 0.00299386/step, 1.45552 hours remaining, 207.964844 MB of memory in use. ENERGY: 3249800 758.7755 2096.8902 1935.3266 111.7508 -206403.3689 17610.4638 0.0000 0.0000 34457.6702 -149432.4917 300.9274 -183890.1619 -149326.0862 299.4018 -27.6140 7.4566 556320.4081 -8.4217 -8.3389 PRESSURE: 3250000 -419.176 91.03 80.8286 91.0295 -26.084 -169.203 80.8284 -169.202 -250.584 GPRESSURE: 3250000 -346.782 104.564 32.7986 32.1992 46.2375 -195.67 89.2984 -100.371 -284.407 PRESSAVG: 3250000 30.6333 59.0749 21.2451 59.0749 18.0485 -30.7322 21.2452 -30.7321 -23.8571 GPRESSAVG: 3250000 30.0113 60.2899 20.2625 60.3281 18.7058 -33.8478 22.9837 -28.0918 -23.9642 TIMING: 3250000 CPU: 9679.38, 0.00297345/step Wall: 9679.38, 0.00297345/step, 1.44543 hours remaining, 207.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3250000 775.9027 2066.5889 1934.5904 120.6572 -205782.3299 17441.3342 0.0000 0.0000 34201.4832 -149241.7733 298.6901 -183443.2566 -149142.9756 299.8164 -231.9479 -194.9838 558378.0298 8.2749 8.2509 PRESSURE: 3250200 -239.558 -140.57 -25.3732 -140.571 -168.941 12.9395 -25.3727 12.9389 58.4398 GPRESSURE: 3250200 -230.922 -193.224 -51.6323 -101.738 -125.229 29.1133 -11.586 66.4695 106.328 PRESSAVG: 3250200 9.53087 -82.3881 1.16179 -82.3882 21.9446 7.52098 1.16176 7.52089 -41.9386 GPRESSAVG: 3250200 8.91033 -83.95 3.0098 -81.0318 22.0509 9.51966 1.1666 6.64458 -41.5236 TIMING: 3250200 CPU: 9679.97, 0.00296983/step Wall: 9679.97, 0.00296983/step, 1.4435 hours remaining, 207.964844 MB of memory in use. ENERGY: 3250200 780.5220 2079.4291 1943.4375 105.6757 -205931.6521 17536.3161 0.0000 0.0000 34260.8087 -149225.4630 299.2082 -183486.2717 -149133.1936 299.0244 -116.6865 -83.2743 557747.4328 -3.4877 -3.5208 PRESSURE: 3250400 45.8616 53.0113 -135.609 53.0113 34.1834 36.5847 -135.611 36.5863 -62.8332 GPRESSURE: 3250400 117.393 -5.98171 -110.261 121.126 46.9135 -2.05824 -133.358 -18.4505 -57.4851 PRESSAVG: 3250400 6.21144 4.50931 -10.0178 4.50922 0.0190136 44.9513 -10.0178 44.9513 24.0459 GPRESSAVG: 3250400 5.61805 4.34552 -10.6396 3.3538 -0.131934 43.3697 -9.19752 45.3514 24.6761 TIMING: 3250400 CPU: 9680.57, 0.00296931/step Wall: 9680.57, 0.00296931/step, 1.44308 hours remaining, 207.964844 MB of memory in use. ENERGY: 3250400 741.5846 2144.2357 1921.7989 111.6822 -206463.2457 17781.4150 0.0000 0.0000 34485.3723 -149277.1570 301.1693 -183762.5293 -149177.1555 299.8368 5.7373 35.6072 555704.3593 10.0921 10.0541 PRESSURE: 3250600 -21.6622 -100.201 31.4877 -100.202 -42.4859 135.514 31.4882 135.516 64.4663 GPRESSURE: 3250600 -2.02364 -121.546 -17.5014 -49.0534 87.2621 90.3294 12.5805 124.459 25.3511 PRESSAVG: 3250600 87.396 32.8973 -38.9783 32.8974 -36.5379 4.25775 -38.9783 4.25785 -34.0911 GPRESSAVG: 3250600 87.695 31.7669 -38.3071 35.6414 -36.9675 3.65756 -39.2851 4.64304 -34.3406 TIMING: 3250600 CPU: 9681.15, 0.0029426/step Wall: 9681.15, 0.0029426/step, 1.42994 hours remaining, 207.964844 MB of memory in use. ENERGY: 3250600 711.8792 2076.5270 1916.7842 116.7263 -206028.5074 17702.1779 0.0000 0.0000 34200.9555 -149303.4572 298.6855 -183504.4126 -149209.7897 299.5668 0.1061 36.8632 557411.2888 5.5890 5.4623 PRESSURE: 3250800 2.09239 63.4456 -49.3611 63.4447 -0.203023 -80.4605 -49.3601 -80.4613 -46.5657 GPRESSURE: 3250800 -38.001 127.494 -165.028 -7.17802 96.486 -103.222 -31.9738 -73.1633 4.984 PRESSAVG: 3250800 -7.18956 10.8072 22.16 10.8073 -29.902 12.2612 22.1601 12.2613 30.0092 GPRESSAVG: 3250800 -5.81236 10.9379 21.3124 9.78428 -28.9363 12.2596 19.5033 12.378 28.0796 TIMING: 3250800 CPU: 9681.74, 0.00294366/step Wall: 9681.74, 0.00294366/step, 1.43029 hours remaining, 207.964844 MB of memory in use. ENERGY: 3250800 696.6614 2106.3809 1911.3847 117.4228 -206292.1000 17748.3124 0.0000 0.0000 34428.7030 -149283.2348 300.6744 -183711.9377 -149183.8762 298.8863 -14.8921 21.1563 557803.4594 -2.3608 -2.2230 PRESSURE: 3251000 103.206 20.0004 -34.5176 20.0009 -182.108 69.7055 -34.5178 69.7052 -46.8764 GPRESSURE: 3251000 90.255 -11.0378 -150.192 108.898 -120.174 151.381 -42.5561 -31.0038 3.27336 PRESSAVG: 3251000 -34.6519 -28.5836 -31.6098 -28.5836 13.1279 0.690924 -31.6097 0.690947 -7.508 GPRESSAVG: 3251000 -34.761 -27.1225 -31.7927 -30.4227 12.0298 1.42607 -31.3929 -1.61746 -6.36181 TIMING: 3251000 CPU: 9682.33, 0.00296054/step Wall: 9682.33, 0.00296054/step, 1.43833 hours remaining, 207.964844 MB of memory in use. ENERGY: 3251000 757.2154 2055.2452 1923.0219 114.0074 -205575.1682 17490.2258 0.0000 0.0000 34234.4253 -149001.0271 298.9778 -183235.4524 -148905.6891 299.7548 -41.9261 -8.8820 557699.9759 -9.6773 -9.6977 PRESSURE: 3251200 -146.353 -200.842 -211.643 -200.843 -281.776 -30.4 -211.644 -30.4006 -108.846 GPRESSURE: 3251200 -47.1334 -236.357 -171.326 -203.04 -304.888 -17.8158 -209.289 -19.6886 -78.3794 PRESSAVG: 3251200 23.1518 -74.5549 -21.5971 -74.5549 20.7978 6.58546 -21.5971 6.58537 -92.4166 GPRESSAVG: 3251200 22.8425 -75.2469 -23.5197 -74.8646 21.7399 8.58797 -20.0132 7.15731 -92.9453 TIMING: 3251200 CPU: 9682.93, 0.00296185/step Wall: 9682.93, 0.00296185/step, 1.4388 hours remaining, 207.964844 MB of memory in use. ENERGY: 3251200 761.6611 2035.2307 1930.2891 117.6906 -205882.3506 17520.8974 0.0000 0.0000 34511.7389 -149004.8429 301.3996 -183516.5818 -148910.2884 299.9654 -178.9918 -143.4669 558165.9923 -16.1557 -16.1210 PRESSURE: 3251400 65.7692 -40.0317 7.33959 -40.0306 -147.685 -96.6224 7.33889 -96.6226 25.792 GPRESSURE: 3251400 85.8677 -107.171 -10.5357 -4.27083 -73.246 -6.95175 31.3664 -54.4972 46.1996 PRESSAVG: 3251400 -17.687 -22.0915 -2.4001 -22.0915 21.88 -44.4428 -2.40008 -44.4428 -19.3501 GPRESSAVG: 3251400 -16.5286 -22.5222 0.452894 -22.432 20.7203 -44.4931 -3.17744 -42.7237 -18.9632 TIMING: 3251400 CPU: 9683.52, 0.00296105/step Wall: 9683.52, 0.00296105/step, 1.43825 hours remaining, 207.964844 MB of memory in use. ENERGY: 3251400 757.6185 2004.7901 1942.0589 118.5785 -205920.8937 17844.9658 0.0000 0.0000 34093.7038 -149159.1780 297.7488 -183252.8818 -149069.9702 299.3983 -18.7080 19.6071 558679.4855 -5.0524 -4.9238 PRESSURE: 3251600 -248.915 -33.9833 -22.2733 -33.9829 -32.0755 104.666 -22.2728 104.665 -300.291 GPRESSURE: 3251600 -262.823 -24.3643 -12.0248 -78.5788 36.5324 96.2296 -98.3786 152.149 -251.899 PRESSAVG: 3251600 -3.71442 -32.2996 25.3127 -32.2996 13.6435 -0.553311 25.3127 -0.553318 -16.3265 GPRESSAVG: 3251600 -5.39579 -31.8744 23.5467 -31.4468 14.9698 -1.49368 25.6704 -0.654551 -15.4745 TIMING: 3251600 CPU: 9684.11, 0.00295002/step Wall: 9684.11, 0.00295003/step, 1.43273 hours remaining, 207.964844 MB of memory in use. ENERGY: 3251600 800.7928 2003.3125 1914.5444 112.3962 -206082.2580 17721.9460 0.0000 0.0000 34436.9601 -149092.3060 300.7465 -183529.2660 -148996.3609 298.7638 -193.7607 -159.3966 558980.9494 -2.1325 -1.9668 PRESSURE: 3251800 83.8889 -53.8168 63.2845 -53.8156 -234.1 -27.9119 63.2855 -27.91 172.651 GPRESSURE: 3251800 42.3058 -106.979 52.1552 24.6954 -115.957 -112.411 71.9074 90.5681 194.987 PRESSAVG: 3251800 14.3428 13.7041 -15.4701 13.7042 6.24082 20.1717 -15.4701 20.1717 -11.4383 GPRESSAVG: 3251800 14.9095 13.5185 -14.5096 13.7506 6.41497 18.9089 -15.1747 19.6021 -12.0057 TIMING: 3251800 CPU: 9684.69, 0.00292799/step Wall: 9684.69, 0.00292799/step, 1.42187 hours remaining, 207.964844 MB of memory in use. ENERGY: 3251800 792.2267 2051.4709 1936.3026 120.9580 -205872.2165 17782.3294 0.0000 0.0000 34076.6840 -149112.2449 297.6002 -183188.9289 -149011.2706 299.1618 7.4800 40.4450 558142.2785 3.0484 3.1063 PRESSURE: 3252000 -47.2886 -5.88647 71.2729 -5.88577 -150.926 12.5105 71.272 12.5117 -18.4274 GPRESSURE: 3252000 -20.4771 53.4692 108.072 -96.2971 -106.654 -31.3189 99.1648 -5.09165 -0.208963 PRESSAVG: 3252000 19.3416 32.4167 80.6608 32.4169 -16.4621 -5.51984 80.6609 -5.51998 26.0306 GPRESSAVG: 3252000 20.7761 31.9446 80.196 31.8171 -16.7712 -7.74287 83.2891 -3.72301 24.8129 TIMING: 3252000 CPU: 9685.29, 0.00296745/step Wall: 9685.29, 0.00296745/step, 1.44086 hours remaining, 207.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3252000 734.1279 2039.9880 1921.7825 110.6451 -205808.1236 17505.7657 0.0000 0.0000 34219.3846 -149276.4297 298.8464 -183495.8143 -149179.4889 298.7260 -72.2139 -42.4468 558646.5205 9.6367 9.6059 PRESSURE: 3252200 -92.5887 -202.854 -56.2792 -202.853 34.47 -34.589 -56.2792 -34.5886 -157.368 GPRESSURE: 3252200 -64.4389 -137.094 -59.8369 -247.605 104.303 -62.2063 -86.1454 -33.9253 -145.428 PRESSAVG: 3252200 44.8572 8.30079 36.83 8.30075 -69.6397 -9.25357 36.8299 -9.25341 32.0424 GPRESSAVG: 3252200 43.0627 8.79506 37.7493 6.7096 -69.6609 -6.43235 34.4092 -10.3019 34.2997 TIMING: 3252200 CPU: 9685.88, 0.00295103/step Wall: 9685.88, 0.00295103/step, 1.43272 hours remaining, 207.964844 MB of memory in use. ENERGY: 3252200 759.4014 2099.8160 1911.0189 126.7595 -206072.2977 17774.0474 0.0000 0.0000 34216.5248 -149184.7297 298.8214 -183401.2545 -149099.6376 298.7957 -71.8289 -35.1883 558877.9923 2.4199 2.5672 LDB: ============= START OF LOAD BALANCING ============== 9689.42 LDB: ============== END OF LOAD BALANCING =============== 9689.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9689.42 LDB: ============= START OF LOAD BALANCING ============== 9689.72 LDB: Largest compute 4772 load 0.028392 is 24.0% of average load 0.118311 LDB: Average compute 0.001724 is 1.5% of average load 0.118311 LDB: TIME 9689.72 LOAD: AVG 0.118311 MAX 0.199308 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.793 MB LDB: TIME 9689.72 LOAD: AVG 0.118311 MAX 0.199308 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.793 MB LDB: TIME 9689.72 LOAD: AVG 0.118311 MAX 0.199308 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.793 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9689.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9689.73 PRESSURE: 3252400 -373.02 -32.8449 -28.6825 -32.8455 218.68 39.7978 -28.6824 39.799 21.3534 GPRESSURE: 3252400 -311.039 43.5357 52.6658 -42.4789 264.924 3.53164 -24.2161 91.2921 3.55143 PRESSAVG: 3252400 15.5187 12.7215 33.1706 12.7216 -33.2167 -2.6461 33.1706 -2.64607 -7.91912 GPRESSAVG: 3252400 16.0743 12.2146 32.9161 13.7972 -32.9009 -3.2501 32.7967 -3.99634 -8.30488 TIMING: 3252400 CPU: 9686.48, 0.00300379/step Wall: 9686.48, 0.00300379/step, 1.45817 hours remaining, 207.050781 MB of memory in use. ENERGY: 3252400 773.0408 2081.9027 1936.0404 115.5646 -206222.6941 17736.2721 0.0000 0.0000 34354.8081 -149225.0654 300.0291 -183579.8735 -149132.3326 299.7911 -44.3288 -14.1878 558403.9052 -8.5390 -8.3772 PRESSURE: 3252600 153.501 100.205 47.1026 100.206 -83.2416 -113.238 47.103 -113.236 -192.528 GPRESSURE: 3252600 122.593 132.529 0.306238 136.998 0.252242 -101.035 50.2512 -175.183 -142.107 PRESSAVG: 3252600 41.9362 25.315 29.2303 25.315 5.02377 -9.24811 29.2303 -9.24803 -23.1095 GPRESSAVG: 3252600 41.7026 26.5741 28.8567 25.7718 5.31401 -8.11634 30.99 -8.26824 -23.4405 TIMING: 3252600 CPU: 9687.08, 0.00298378/step Wall: 9687.08, 0.00298378/step, 1.44829 hours remaining, 207.050781 MB of memory in use. ENERGY: 3252600 740.2158 2070.3523 1941.4906 116.4393 -205928.1720 17643.4493 0.0000 0.0000 34164.7727 -149251.4519 298.3695 -183416.2246 -149153.5877 299.5621 -40.7560 -6.4207 556700.3919 7.9502 7.8587 PRESSURE: 3252800 -204.974 42.1484 38.4517 42.1478 -404.738 28.3526 38.453 28.3533 23.53 GPRESSURE: 3252800 -130.678 20.4778 73.968 11.4919 -412.818 7.61427 -23.1234 17.0465 52.7482 PRESSAVG: 3252800 -27.1432 12.0213 9.94461 12.0213 0.295817 -25.1783 9.94465 -25.1783 11.9791 GPRESSAVG: 3252800 -27.2243 13.6834 9.24602 12.1887 0.626722 -25.4358 9.3429 -26.6325 11.7971 TIMING: 3252800 CPU: 9687.67, 0.00297023/step Wall: 9687.67, 0.00297023/step, 1.44155 hours remaining, 207.050781 MB of memory in use. ENERGY: 3252800 722.2355 2160.7622 1951.3019 114.4787 -206034.9668 17509.6399 0.0000 0.0000 34301.5938 -149274.9549 299.5643 -183576.5487 -149181.1975 299.6709 -195.3941 -163.5825 558663.7303 -4.9561 -4.9335 PRESSURE: 3253000 -82.0399 -47.585 -36.6115 -47.5856 -55.9581 42.2635 -36.6128 42.2638 -161.251 GPRESSURE: 3253000 -54.7132 -132.058 14.1616 26.3298 -38.5313 -23.2432 20.4818 127.443 -104.64 PRESSAVG: 3253000 -9.98222 -10.9237 63.7571 -10.9237 66.624 -50.3545 63.7571 -50.3546 -2.18043 GPRESSAVG: 3253000 -10.3697 -12.3259 64.3016 -11.9958 65.9582 -51.3727 62.7138 -48.2891 -1.19716 TIMING: 3253000 CPU: 9688.26, 0.00294166/step Wall: 9688.26, 0.00294166/step, 1.42752 hours remaining, 207.050781 MB of memory in use. ENERGY: 3253000 735.5629 2055.8561 1924.3754 111.7145 -206076.5051 17802.2799 0.0000 0.0000 34384.6628 -149062.0535 300.2898 -183446.7163 -148963.3494 299.6568 -99.7498 -65.9614 558270.5685 18.1538 18.1304 PRESSURE: 3253200 -77.6666 116.35 27.6607 116.349 -68.3391 15.4784 27.6604 15.4796 -171.192 GPRESSURE: 3253200 -29.4964 86.1707 29.1696 80.3379 3.8328 82.1032 -26.6911 -27.1897 -189.266 PRESSAVG: 3253200 11.7317 34.8788 -28.551 34.8788 -2.00545 -35.0552 -28.551 -35.0552 -44.559 GPRESSAVG: 3253200 11.2887 33.49 -29.4044 37.2429 -0.453399 -33.6853 -28.3606 -34.7201 -45.4028 TIMING: 3253200 CPU: 9688.85, 0.00298013/step Wall: 9688.85, 0.00298013/step, 1.44602 hours remaining, 207.050781 MB of memory in use. ENERGY: 3253200 763.2772 2086.4008 1925.5910 126.2360 -206035.7888 17764.0775 0.0000 0.0000 34205.9598 -149164.2465 298.7292 -183370.2063 -149061.5790 299.6044 -105.7325 -71.6432 558230.4860 -11.6109 -11.5225 PRESSURE: 3253400 -52.6435 39.3841 107.654 39.3833 4.88874 -58.1995 107.655 -58.2006 -58.3994 GPRESSURE: 3253400 14.6394 88.0822 76.498 43.4608 51.8053 -68.8808 100.947 -70.3646 -71.9844 PRESSAVG: 3253400 14.5473 -8.61661 -2.49759 -8.61667 12.8831 -109.21 -2.49761 -109.21 3.62901 GPRESSAVG: 3253400 14.743 -6.40167 -1.18052 -9.64703 12.2676 -109.418 -1.41242 -109.358 4.1319 TIMING: 3253400 CPU: 9689.45, 0.00296208/step Wall: 9689.45, 0.00296208/step, 1.4371 hours remaining, 207.050781 MB of memory in use. ENERGY: 3253400 748.5204 2034.9250 1950.5256 115.1618 -205950.0084 17822.0465 0.0000 0.0000 34246.7548 -149032.0743 299.0854 -183278.8290 -148938.6195 299.2474 -35.3847 -1.8465 557374.8181 10.3532 10.3808 PRESSURE: 3253600 -184.875 -71.5397 121.411 -71.5407 178.678 -153.429 121.412 -153.427 -216.185 GPRESSURE: 3253600 -182.322 -62.9994 183.584 -91.5842 198.928 -136.892 107.226 -163.461 -142.972 PRESSAVG: 3253600 -2.70544 -4.47232 49.0462 -4.47228 36.1956 -146.622 49.0462 -146.622 -20.7534 GPRESSAVG: 3253600 -1.9191 -5.7697 50.0223 -4.93287 35.2791 -148.268 49.2311 -147.318 -20.7574 TIMING: 3253600 CPU: 9690.04, 0.00296076/step Wall: 9690.04, 0.00296076/step, 1.4363 hours remaining, 207.050781 MB of memory in use. ENERGY: 3253600 776.6973 2124.1487 1913.1539 121.5834 -205841.6616 17780.3212 0.0000 0.0000 34194.4489 -148931.3081 298.6286 -183125.7570 -148841.1205 299.9415 -74.1273 -42.1222 557887.1900 4.2456 4.2009 PRESSURE: 3253800 -262.737 -34.4482 62.5157 -34.4474 -42.207 65.1913 62.5137 65.1926 -110.077 GPRESSURE: 3253800 -166.13 -56.5065 48.8016 -67.0522 -17.6259 47.277 60.5411 65.5082 -133.732 PRESSAVG: 3253800 -54.7199 2.57796 0.367 2.57804 29.456 -20.2809 0.367035 -20.2809 -11.0713 GPRESSAVG: 3253800 -54.604 2.48692 -0.442772 3.18258 31.044 -20.2408 0.290534 -17.968 -12.6692 TIMING: 3253800 CPU: 9690.63, 0.00293524/step Wall: 9690.63, 0.00293524/step, 1.42375 hours remaining, 207.050781 MB of memory in use. ENERGY: 3253800 758.4929 2170.2528 1950.5689 116.8194 -205803.7858 17596.4394 0.0000 0.0000 34210.8589 -149000.3534 298.7719 -183211.2123 -148894.6692 299.5835 -138.3402 -105.8294 558763.1916 -12.1117 -12.0764 PRESSURE: 3254000 97.3714 137.745 -66.3356 137.745 -86.4047 -72.1484 -66.3362 -72.1478 -110.656 GPRESSURE: 3254000 106.333 50.1111 -91.1931 160.962 -45.8316 -0.999656 -112.421 -56.9578 -76.7719 PRESSAVG: 3254000 59.1542 0.809206 -9.33678 0.809185 -56.1294 -8.55881 -9.33671 -8.5588 8.46139 GPRESSAVG: 3254000 59.2801 1.97936 -8.79101 0.0793442 -56.6698 -7.328 -10.9231 -9.8525 9.01997 TIMING: 3254000 CPU: 9691.21, 0.0029215/step Wall: 9691.21, 0.0029215/step, 1.41693 hours remaining, 207.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3254000 738.9898 2125.8861 1925.5728 121.7051 -206241.9138 17906.3083 0.0000 0.0000 34330.2873 -149093.1644 299.8149 -183423.4517 -148997.9368 299.0950 -33.2299 -5.4234 559016.2221 3.8287 3.8768 PRESSURE: 3254200 -247.748 -71.3196 39.1398 -71.3223 -32.5345 138.091 39.1402 138.09 28.2136 GPRESSURE: 3254200 -202.671 -140.33 -8.10139 5.29209 -12.0084 173.182 66.5086 183.934 55.3795 PRESSAVG: 3254200 -1.53645 42.8698 10.3371 42.8698 5.39309 38.8125 10.3372 38.8124 3.9012 GPRESSAVG: 3254200 -1.90015 42.6818 8.71771 44.2312 5.01164 38.2257 11.641 37.9002 4.59348 TIMING: 3254200 CPU: 9691.8, 0.00293621/step Wall: 9691.8, 0.00293621/step, 1.4239 hours remaining, 207.050781 MB of memory in use. ENERGY: 3254200 703.9690 2087.2248 1942.7742 112.7697 -206239.4496 17894.9194 0.0000 0.0000 34328.9781 -149168.8144 299.8035 -183497.7925 -149064.3907 299.2151 -84.0229 -53.1000 560426.2124 2.5859 2.5683 PRESSURE: 3254400 -16.3201 51.3447 -32.4745 51.3458 -71.5696 -26.9946 -32.4746 -26.9942 133.767 GPRESSURE: 3254400 4.12641 56.8043 28.6413 71.8648 -38.0092 -63.4137 -13.1164 107.274 167.414 PRESSAVG: 3254400 22.2287 1.98254 -7.95151 1.98257 -4.57362 38.3289 -7.95155 38.329 -21.332 GPRESSAVG: 3254400 21.7491 0.259043 -7.53835 1.24243 -4.67719 39.3091 -7.73157 39.3795 -21.2373 TIMING: 3254400 CPU: 9692.39, 0.00296733/step Wall: 9692.39, 0.00296733/step, 1.43883 hours remaining, 207.050781 MB of memory in use. ENERGY: 3254400 759.8847 2030.9863 1939.7772 114.2671 -205890.4689 17640.0784 0.0000 0.0000 34263.2768 -149142.1983 299.2297 -183405.4751 -149046.0365 299.2714 15.2925 44.5104 558369.9111 -1.2256 -1.3884 PRESSURE: 3254600 -19.4456 80.0847 -9.42532 80.0852 -139.312 -31.8422 -9.42537 -31.8434 -29.0416 GPRESSURE: 3254600 32.8252 174.138 18.796 -6.14508 -115.919 -48.1529 -38.2789 -60.6019 -21.9147 PRESSAVG: 3254600 25.3753 -8.67613 2.949 -8.67607 -64.4202 24.7911 2.94903 24.791 16.7042 GPRESSAVG: 3254600 25.9993 -7.00429 0.418435 -9.71819 -65.5862 25.3246 4.37067 23.6911 17.2478 TIMING: 3254600 CPU: 9692.98, 0.00294483/step Wall: 9692.98, 0.00294483/step, 1.42775 hours remaining, 207.050781 MB of memory in use. ENERGY: 3254600 757.6104 2084.3980 1947.0349 118.9392 -206378.1802 17857.7282 0.0000 0.0000 34419.6319 -149192.8374 300.5952 -183612.4693 -149091.1901 299.3984 -62.5999 -35.0029 557823.2367 -7.4469 -7.4464 PRESSURE: 3254800 -187.911 -108.231 59.6516 -108.232 -253.031 9.90076 59.6507 9.9009 -89.5719 GPRESSURE: 3254800 -176.291 -92.9778 74.4287 -54.8794 -175.469 20.6796 91.2784 29.5829 -69.3855 PRESSAVG: 3254800 -65.9387 -39.6724 14.9338 -39.6724 47.3018 -11.1753 14.9338 -11.1754 15.6719 GPRESSAVG: 3254800 -65.3053 -41.0941 18.7222 -38.3933 48.7281 -11.2246 12.3228 -11.7513 13.807 TIMING: 3254800 CPU: 9693.57, 0.00292581/step Wall: 9693.57, 0.00292581/step, 1.41837 hours remaining, 207.050781 MB of memory in use. ENERGY: 3254800 757.8959 2123.0767 1921.3963 100.1708 -206472.5315 17865.7704 0.0000 0.0000 34567.3004 -149136.9211 301.8848 -183704.2214 -149034.2825 299.9109 -176.8379 -140.3817 558485.1138 -0.9883 -0.9234 PRESSURE: 3255000 -278.008 25.0775 158.921 25.0773 -161.65 64.3373 158.92 64.3375 -106.74 GPRESSURE: 3255000 -215.377 53.8386 154.316 43.6088 -140.43 94.5356 221.289 64.5456 -83.2761 PRESSAVG: 3255000 -98.6468 45.2638 90.1495 45.2638 34.8894 31.8442 90.1495 31.8441 72.4457 GPRESSAVG: 3255000 -99.1569 45.8998 87.9002 45.0994 33.2802 32.8839 93.5189 33.2157 74.7639 TIMING: 3255000 CPU: 9694.15, 0.00293532/step Wall: 9694.15, 0.00293532/step, 1.42281 hours remaining, 207.050781 MB of memory in use. ENERGY: 3255000 751.4355 2107.0566 1940.4438 112.3541 -206051.9861 17568.0429 0.0000 0.0000 34474.0287 -149098.6245 301.0703 -183572.6533 -149000.3972 300.3574 -182.1327 -146.3610 557725.9214 2.8961 2.9624 PRESSURE: 3255200 -156.394 149.792 -182.584 149.793 296.643 40.7594 -182.582 40.7591 -153.898 GPRESSURE: 3255200 -155.63 173.077 -180.7 96.9096 315.708 56.2277 -165.959 34.3559 -86.3355 PRESSAVG: 3255200 -41.4333 37.1693 79.3269 37.1693 11.3975 54.7041 79.327 54.704 19.2879 GPRESSAVG: 3255200 -40.5349 38.32 80.8067 35.473 12.236 54.3487 78.3963 54.1678 17.198 TIMING: 3255200 CPU: 9694.74, 0.00292446/step Wall: 9694.74, 0.00292446/step, 1.41739 hours remaining, 207.050781 MB of memory in use. ENERGY: 3255200 730.3696 2092.8311 1919.9794 127.0236 -206171.9372 17791.8753 0.0000 0.0000 34316.9268 -149192.9315 299.6983 -183509.8583 -149094.1346 300.0193 -4.5497 24.5809 556537.7650 -3.5826 -3.7003 PRESSURE: 3255400 209.494 -57.3937 27.8353 -57.3937 345.34 -24.8664 27.8346 -24.8676 -75.0592 GPRESSURE: 3255400 235.26 -51.0034 -57.5206 -25.3169 322.507 43.2883 28.924 -86.9555 21.8042 PRESSAVG: 3255400 -3.2892 40.463 0.272116 40.463 -17.1836 25.0973 0.272081 25.0973 19.1094 GPRESSAVG: 3255400 -2.86093 40.0784 -0.853916 42.1805 -18.1889 24.6368 -0.0584831 25.6077 19.1827 TIMING: 3255400 CPU: 9695.32, 0.0029293/step Wall: 9695.32, 0.0029293/step, 1.41957 hours remaining, 207.050781 MB of memory in use. ENERGY: 3255400 753.8583 2073.2932 1966.0482 106.4397 -206241.0910 17999.2977 0.0000 0.0000 34434.4208 -148907.7331 300.7244 -183342.1539 -148814.2536 299.9457 159.9251 193.1904 558017.2057 -0.4545 -0.6224 PRESSURE: 3255600 -164.538 -23.9481 -28.2206 -23.9473 -283.726 52.9917 -28.2229 52.9921 -71.4008 GPRESSURE: 3255600 -121.2 -20.1645 -116.487 -99.0783 -213.179 -13.8259 -3.4758 76.9615 -78.7669 PRESSAVG: 3255600 -1.13456 59.4683 -9.66556 59.4683 52.7034 -7.563 -9.66557 -7.56296 -86.0195 GPRESSAVG: 3255600 -0.931124 59.2327 -8.9336 57.4292 53.0904 -8.59086 -10.5985 -6.88123 -86.1804 TIMING: 3255600 CPU: 9695.91, 0.00294397/step Wall: 9695.91, 0.00294397/step, 1.42652 hours remaining, 207.050781 MB of memory in use. ENERGY: 3255600 748.7758 2116.7123 1924.0168 121.8552 -206335.1209 17624.3458 0.0000 0.0000 34498.5707 -149300.8444 301.2846 -183799.4150 -149209.0661 300.2387 -173.2214 -137.7153 558138.1169 -11.4836 -11.3404 PRESSURE: 3255800 76.3681 1.92459 -52.7 1.9258 149.69 109.532 -52.6985 109.533 23.2672 GPRESSURE: 3255800 114.78 -18.4418 18.7051 -26.5777 127.118 185.198 -27.0061 8.05391 102.52 PRESSAVG: 3255800 76.261 19.6559 -10.7889 19.6559 -50.9776 2.13846 -10.7891 2.13853 -45.1863 GPRESSAVG: 3255800 75.7208 20.0943 -10.1727 18.8064 -50.2635 2.92985 -10.6285 -0.83173 -45.1541 TIMING: 3255800 CPU: 9696.51, 0.00297184/step Wall: 9696.51, 0.00297184/step, 1.43985 hours remaining, 207.050781 MB of memory in use. ENERGY: 3255800 820.3613 2102.9685 1913.6841 112.8704 -206179.1148 17828.7135 0.0000 0.0000 34304.5109 -149096.0061 299.5898 -183400.5170 -149004.3139 299.5372 83.1084 114.8062 556865.8572 -6.6343 -6.5656 PRESSURE: 3256000 -229.846 19.8864 67.7163 19.8869 -133.3 -86.2979 67.7165 -86.299 -109.99 GPRESSURE: 3256000 -166.525 31.6821 -35.4083 10.0067 -119.387 -134.989 52.9564 2.67694 -73.2472 PRESSAVG: 3256000 29.9851 6.22925 4.51954 6.22912 -2.54947 -8.99169 4.51964 -8.9917 -47.8486 GPRESSAVG: 3256000 30.2867 4.84783 3.47784 9.12138 -3.99589 -8.45297 4.54327 -7.85781 -46.6981 TIMING: 3256000 CPU: 9697.1, 0.00296746/step Wall: 9697.1, 0.00296746/step, 1.43757 hours remaining, 207.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3256000 771.1700 2065.5325 1926.1254 119.3782 -206039.7963 17671.5217 0.0000 0.0000 34450.6661 -149035.4024 300.8662 -183486.0685 -148931.2283 300.0175 -157.7123 -119.7196 558310.2456 -6.8043 -6.8024 PRESSURE: 3256200 -35.1664 118.358 -18.4198 118.357 -178.347 -141.675 -18.4191 -141.677 -47.6912 GPRESSURE: 3256200 15.4823 57.5597 -47.9925 160.754 -156.701 -188.296 -13.9453 -66.9299 -18.6186 PRESSAVG: 3256200 38.3511 61.8621 1.94105 61.8622 -13.3249 -23.4441 1.9411 -23.4441 -38.1229 GPRESSAVG: 3256200 37.7281 63.1201 2.35263 61.1249 -12.9608 -23.2889 1.45822 -22.8922 -38.2968 TIMING: 3256200 CPU: 9697.69, 0.00293426/step Wall: 9697.69, 0.00293426/step, 1.42132 hours remaining, 207.050781 MB of memory in use. ENERGY: 3256200 713.1876 2074.9090 1928.3468 110.4604 -205673.4852 17561.2951 0.0000 0.0000 34305.2203 -148980.0659 299.5960 -183285.2862 -148882.7237 300.0111 -87.0681 -53.2791 557687.6584 -4.3656 -4.5098 LDB: ============= START OF LOAD BALANCING ============== 9701.23 LDB: ============== END OF LOAD BALANCING =============== 9701.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9701.23 LDB: ============= START OF LOAD BALANCING ============== 9701.53 LDB: Largest compute 4772 load 0.028036 is 23.7% of average load 0.118258 LDB: Average compute 0.001723 is 1.5% of average load 0.118258 LDB: TIME 9701.53 LOAD: AVG 0.118258 MAX 0.197759 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.082 MB LDB: TIME 9701.53 LOAD: AVG 0.118258 MAX 0.197759 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.086 MB LDB: TIME 9701.53 LOAD: AVG 0.118258 MAX 0.197759 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.086 MB LDB: ============== END OF LOAD BALANCING =============== 9701.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9701.53 PRESSURE: 3256400 -64.4331 75.9878 42.3264 75.9873 31.8708 11.1804 42.3258 11.1814 20.2243 GPRESSURE: 3256400 -62.4664 144.683 53.2446 50.6249 37.0976 52.5148 45.8882 11.8449 120.93 PRESSAVG: 3256400 22.0251 62.7427 -40.7319 62.7427 -7.66535 32.4313 -40.732 32.4311 -4.82646 GPRESSAVG: 3256400 22.3301 62.6759 -40.5287 61.807 -8.09654 31.0295 -39.6772 32.9995 -4.86963 TIMING: 3256400 CPU: 9698.28, 0.00299088/step Wall: 9698.28, 0.00299088/step, 1.44858 hours remaining, 207.277344 MB of memory in use. ENERGY: 3256400 733.6446 2111.5331 1919.1477 111.5264 -205916.8407 17690.9656 0.0000 0.0000 34438.6865 -148911.3369 300.7616 -183350.0234 -148808.7673 300.3497 -4.1127 31.8537 557879.4924 3.1778 3.1213 PRESSURE: 3256600 105.297 -16.3768 47.5738 -16.3757 79.1632 76.4525 47.5746 76.4521 64.9985 GPRESSURE: 3256600 185.055 -52.3069 58.6057 -44.8418 123.728 73.8782 -15.913 11.7208 39.5654 PRESSAVG: 3256600 -51.5302 -10.2955 -24.279 -10.2955 70.9643 4.1136 -24.2791 4.11373 -12.1161 GPRESSAVG: 3256600 -51.5675 -11.4692 -25.5024 -8.62861 71.6488 2.83321 -24.9035 3.63866 -12.7069 TIMING: 3256600 CPU: 9698.88, 0.00295917/step Wall: 9698.88, 0.00295917/step, 1.43306 hours remaining, 207.417969 MB of memory in use. ENERGY: 3256600 723.2045 2124.9915 1902.4562 103.7541 -206178.8238 18000.4829 0.0000 0.0000 34437.3975 -148886.5371 300.7504 -183323.9346 -148792.9253 300.1447 83.1529 116.1160 557230.3439 2.4393 2.4581 PRESSURE: 3256800 242.407 83.2975 159.495 83.2978 -73.8394 189.253 159.496 189.252 -8.79469 GPRESSURE: 3256800 296.924 41.2133 125.084 80.7221 -58.569 99.7075 177.331 257.488 20.4089 PRESSAVG: 3256800 28.3516 -3.10281 -32.0023 -3.10274 -21.1487 -45.2866 -32.0023 -45.2865 -18.5181 GPRESSAVG: 3256800 27.2258 -2.9238 -30.5173 -3.01217 -21.7877 -45.0421 -32.195 -44.7436 -17.2659 TIMING: 3256800 CPU: 9699.47, 0.00295528/step Wall: 9699.47, 0.00295528/step, 1.43101 hours remaining, 207.417969 MB of memory in use. ENERGY: 3256800 770.5038 2181.1635 1923.8974 116.2178 -206219.6596 17760.5106 0.0000 0.0000 34336.2419 -149131.1245 299.8669 -183467.3664 -149035.1345 300.2655 53.2577 86.2547 555065.4977 -3.7717 -3.9426 PRESSURE: 3257000 -260.817 21.6303 57.8271 21.6315 -76.2737 60.0934 57.826 60.0921 -217.782 GPRESSURE: 3257000 -210.804 54.0907 112.229 2.00498 -70.0774 153.314 -19.4497 62.4192 -167.662 PRESSAVG: 3257000 72.8689 15.5891 -6.37233 15.5891 -58.3951 -0.545858 -6.3723 -0.546079 -8.096 GPRESSAVG: 3257000 72.5354 16.0182 -6.69298 14.8812 -58.1274 1.88148 -5.6745 -2.61082 -8.66351 TIMING: 3257000 CPU: 9700.06, 0.00298098/step Wall: 9700.06, 0.00298098/step, 1.44329 hours remaining, 207.417969 MB of memory in use. ENERGY: 3257000 777.4495 2075.4537 1943.3648 110.3447 -205657.7392 17393.3718 0.0000 0.0000 34181.1125 -149176.6422 298.5122 -183357.7547 -149077.6262 299.4301 -184.9575 -149.5146 557417.9357 2.1259 1.9148 PRESSURE: 3257200 378.244 81.3285 132.643 81.3296 154.774 34.6241 132.644 34.6235 170.268 GPRESSURE: 3257200 384.209 160.665 89.4068 42.355 204.969 47.373 157.243 31.8039 207.111 PRESSAVG: 3257200 -23.5923 -9.96314 25.739 -9.96314 14.2735 75.213 25.7391 75.213 -5.31616 GPRESSAVG: 3257200 -23.9995 -9.16601 25.5742 -9.95915 16.0187 73.6243 25.9511 75.1056 -6.40274 TIMING: 3257200 CPU: 9700.66, 0.00298971/step Wall: 9700.66, 0.00298971/step, 1.44735 hours remaining, 207.417969 MB of memory in use. ENERGY: 3257200 727.8405 2104.4435 1913.9367 110.3296 -206437.7855 18034.0489 0.0000 0.0000 34595.2184 -148951.9679 302.1286 -183547.1863 -148858.1010 299.5444 234.4289 265.4296 556992.0292 -4.8783 -4.7945 PRESSURE: 3257400 90.0219 -35.9499 128.177 -35.9499 -119.551 -21.3158 128.175 -21.315 89.6771 GPRESSURE: 3257400 97.7468 -96.7426 121.64 -56.7705 -54.7237 -18.1412 152.899 53.3804 100.924 PRESSAVG: 3257400 -1.9224 31.4143 28.5353 31.4143 -9.54417 -25.1491 28.5352 -25.149 76.8946 GPRESSAVG: 3257400 -1.41618 30.7042 29.5879 31.5071 -10.3233 -25.1676 29.165 -22.7854 77.079 TIMING: 3257400 CPU: 9701.25, 0.00292323/step Wall: 9701.25, 0.00292323/step, 1.41501 hours remaining, 207.417969 MB of memory in use. ENERGY: 3257400 764.8111 2161.0848 1927.5470 104.2084 -206211.9816 17829.1483 0.0000 0.0000 34350.3714 -149074.8106 299.9903 -183425.1820 -148977.7711 300.2098 20.0494 47.9825 558650.8080 21.8093 21.7798 PRESSURE: 3257600 10.6519 147.369 97.7127 147.371 -249.258 127.991 97.7126 127.991 149.108 GPRESSURE: 3257600 16.453 148.149 80.8461 101.841 -169.994 132.168 96.837 154.59 161.976 PRESSAVG: 3257600 -42.1747 17.7927 -19.9382 17.7927 8.43425 0.902138 -19.9381 0.902052 21.2472 GPRESSAVG: 3257600 -40.7416 20.2405 -19.5499 16.9661 7.33315 0.943324 -21.2243 -0.524323 21.5193 TIMING: 3257600 CPU: 9701.83, 0.00293047/step Wall: 9701.83, 0.00293047/step, 1.41835 hours remaining, 207.417969 MB of memory in use. ENERGY: 3257600 740.8331 2126.7487 1906.9337 112.9838 -206135.1617 17739.4581 0.0000 0.0000 34400.1478 -149108.0564 300.4250 -183508.2043 -149009.1284 299.8168 -29.8326 2.8117 557196.0261 -4.1644 -3.9630 PRESSURE: 3257800 328.554 71.4255 -43.8471 71.4269 77.263 -65.4887 -43.8485 -65.4885 205.086 GPRESSURE: 3257800 416.01 134.018 -50.5798 -18.9955 97.7385 -111.266 -73.0425 -56.4561 201.211 PRESSAVG: 3257800 27.5098 70.166 -0.714629 70.1661 -47.2758 -24.2858 -0.7147 -24.2858 64.0181 GPRESSAVG: 3257800 26.7492 70.2294 -1.92859 71.6327 -47.3901 -22.9615 1.60244 -22.1372 64.878 TIMING: 3257800 CPU: 9702.42, 0.00295508/step Wall: 9702.42, 0.00295508/step, 1.43009 hours remaining, 207.417969 MB of memory in use. ENERGY: 3257800 749.3047 2112.5109 1951.2674 105.2627 -206437.8658 18007.0402 0.0000 0.0000 34294.7750 -149217.7048 299.5048 -183512.4799 -149124.5621 299.4023 203.6343 238.3200 555351.1411 14.7507 14.7457 PRESSURE: 3258000 -314.02 -44.8085 103.935 -44.808 -125.623 107.341 103.935 107.342 -113.416 GPRESSURE: 3258000 -325.763 -139.748 141.769 60.2789 -95.1281 42.0668 38.1588 61.2325 -32.2869 PRESSAVG: 3258000 35.4874 -0.332475 11.6154 -0.332544 -37.6062 -27.6347 11.6153 -27.6346 34.1736 GPRESSAVG: 3258000 36.1515 -3.32955 12.6823 0.0181577 -37.8408 -27.9505 10.1077 -29.9437 33.7441 TIMING: 3258000 CPU: 9703.01, 0.00294014/step Wall: 9703.01, 0.00294014/step, 1.4227 hours remaining, 207.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3258000 765.6596 2094.3325 1944.6326 107.9837 -206041.7881 17513.6908 0.0000 0.0000 34423.3709 -149192.1179 300.6279 -183615.4888 -149095.3588 299.3179 -184.3532 -151.0593 556303.0938 10.6849 10.6849 PRESSURE: 3258200 -20.2854 -44.9261 -12.0786 -44.9251 -126.692 182.827 -12.0785 182.826 -106.253 GPRESSURE: 3258200 -22.7953 -116.34 -23.4493 -0.943755 -42.8128 153.683 23.1491 129.569 -83.276 PRESSAVG: 3258200 -3.88676 -7.15872 9.52541 -7.15877 45.6694 -11.8814 9.52532 -11.8813 -36.7771 GPRESSAVG: 3258200 -4.58854 -4.59862 8.2931 -7.87101 45.9912 -11.6132 11.0863 -11.5759 -37.4629 TIMING: 3258200 CPU: 9703.61, 0.00297368/step Wall: 9703.61, 0.00297368/step, 1.43877 hours remaining, 207.417969 MB of memory in use. ENERGY: 3258200 747.6123 2070.7057 1921.2450 103.4488 -206066.5433 17647.6026 0.0000 0.0000 34195.5100 -149380.4188 298.6379 -183575.9289 -149292.6192 298.8672 -84.4101 -49.6280 557131.0489 1.6685 1.3132 PRESSURE: 3258400 227.448 -58.1275 20.7158 -58.1268 4.02103 29.8011 20.7143 29.8021 277.858 GPRESSURE: 3258400 304.836 -81.7109 68.7137 17.2604 27.6772 91.6985 57.4004 71.3578 271.277 PRESSAVG: 3258400 26.459 -16.8595 24.0193 -16.8595 38.487 -8.68186 24.0194 -8.68189 -55.9251 GPRESSAVG: 3258400 27.8644 -18.2463 25.3794 -16.1669 39.4693 -12.3498 22.7585 -7.22706 -57.6474 TIMING: 3258400 CPU: 9704.2, 0.00295338/step Wall: 9704.2, 0.00295338/step, 1.42878 hours remaining, 207.417969 MB of memory in use. ENERGY: 3258400 707.7057 2107.1860 1965.2655 137.0985 -206493.8137 17946.7976 0.0000 0.0000 34285.3518 -149344.4086 299.4225 -183629.7604 -149253.9638 299.1408 169.7758 201.2633 555888.8591 3.0070 3.2288 PRESSURE: 3258600 -70.7663 -31.0784 -49.271 -31.0766 -92.4611 -145.078 -49.272 -145.077 -98.0854 GPRESSURE: 3258600 -71.1645 -105.997 -53.4658 75.0645 -42.7476 -136.642 -29.6581 -49.1164 -46.0978 PRESSAVG: 3258600 42.2579 -24.4371 37.7087 -24.4371 6.35126 22.9444 37.7087 22.9444 -31.0392 GPRESSAVG: 3258600 40.7668 -24.1659 37.9647 -25.9167 6.03934 26.1129 36.3144 21.8481 -29.2742 TIMING: 3258600 CPU: 9704.79, 0.00297849/step Wall: 9704.79, 0.00297849/step, 1.44076 hours remaining, 207.417969 MB of memory in use. ENERGY: 3258600 716.2131 2099.4730 1907.0837 105.7972 -205796.0904 17487.0768 0.0000 0.0000 34267.9685 -149212.4782 299.2707 -183480.4467 -149104.4062 299.4377 -87.1043 -53.3366 557983.1788 5.8567 5.8440 PRESSURE: 3258800 -108.332 28.226 -39.8252 28.2257 -287.414 161.706 -39.8253 161.707 84.3754 GPRESSURE: 3258800 -75.0793 16.8778 -41.2741 74.9001 -228.373 187.455 -76.8969 67.897 93.3732 PRESSAVG: 3258800 28.6189 -22.7751 18.7943 -22.7751 21.7754 -56.1643 18.7943 -56.1644 15.1531 GPRESSAVG: 3258800 28.8922 -24.8645 18.1326 -20.1621 21.228 -56.6256 19.6614 -56.8575 15.5675 TIMING: 3258800 CPU: 9705.39, 0.00297177/step Wall: 9705.39, 0.00297177/step, 1.43735 hours remaining, 207.417969 MB of memory in use. ENERGY: 3258800 778.9334 2062.3130 1952.2210 106.1332 -206187.7227 17755.2963 0.0000 0.0000 34162.7398 -149370.0860 298.3517 -183532.8258 -149277.1840 299.3006 -103.7901 -70.0263 557495.2819 21.8491 21.8959 PRESSURE: 3259000 -0.0793489 79.6336 -141.72 79.6338 -81.9595 76.1725 -141.719 76.1733 177.324 GPRESSURE: 3259000 23.2697 2.67812 -225.87 145.762 -67.6239 24.1823 -59.4457 75.5553 227.151 PRESSAVG: 3259000 35.7666 29.9026 -29.6715 29.9026 -16.6822 9.55243 -29.6716 9.55262 2.45743 GPRESSAVG: 3259000 36.1671 31.5787 -30.3452 29.6889 -16.4799 8.16975 -29.4968 12.9737 2.01031 TIMING: 3259000 CPU: 9705.98, 0.00297085/step Wall: 9705.98, 0.00297085/step, 1.43673 hours remaining, 207.417969 MB of memory in use. ENERGY: 3259000 757.7459 2134.6187 1907.5420 117.6458 -206154.6700 17879.6595 0.0000 0.0000 34202.5693 -149154.8888 298.6995 -183357.4581 -149062.3947 299.2579 31.7618 60.9323 557565.9244 7.1806 7.2325 PRESSURE: 3259200 80.3008 99.9251 -125.277 99.9256 7.92852 -74.054 -125.275 -74.0533 45.6794 GPRESSURE: 3259200 95.4968 101.818 -141.118 86.8999 63.5695 -44.1577 -136.711 -47.825 79.2784 PRESSAVG: 3259200 14.7545 60.6198 -42.6663 60.6198 -7.85607 -42.2538 -42.6664 -42.2536 -0.271146 GPRESSAVG: 3259200 14.3051 63.0698 -42.9677 58.6782 -7.82048 -39.483 -42.6292 -44.672 0.222495 TIMING: 3259200 CPU: 9706.58, 0.00298316/step Wall: 9706.58, 0.00298316/step, 1.44253 hours remaining, 207.417969 MB of memory in use. ENERGY: 3259200 728.9396 2041.3219 1939.1273 103.3944 -206297.9120 17962.5936 0.0000 0.0000 34407.7109 -149114.8242 300.4911 -183522.5351 -149010.7375 299.2808 44.6362 79.4482 557537.2693 2.2091 2.2357 PRESSURE: 3259400 -44.7015 -92.398 90.0126 -92.3967 -121.881 146.794 90.0108 146.795 -173.188 GPRESSURE: 3259400 -31.6734 -108.089 66.8253 27.9264 1.84432 170.635 115.376 150.449 -203.6 PRESSAVG: 3259400 -55.252 -1.87455 -18.772 -1.87453 6.47999 24.0134 -18.772 24.0134 21.5206 GPRESSAVG: 3259400 -56.2222 -4.51992 -17.5564 -0.368639 7.23613 21.9153 -19.2827 25.0034 21.6194 TIMING: 3259400 CPU: 9707.17, 0.00294115/step Wall: 9707.17, 0.00294115/step, 1.42205 hours remaining, 207.417969 MB of memory in use. ENERGY: 3259400 831.7770 2134.9831 1922.7986 116.4511 -206573.6624 17977.9006 0.0000 0.0000 34439.4394 -149150.3126 300.7682 -183589.7520 -149058.1728 299.7272 -113.2570 -77.8098 556780.1127 -9.0838 -9.1222 PRESSURE: 3259600 279.504 59.4649 30.4624 59.4652 -279.69 -9.77119 30.4629 -9.77186 131.923 GPRESSURE: 3259600 283.628 59.2724 15.9665 14.6272 -234.25 85.017 21.707 21.38 174.186 PRESSAVG: 3259600 -6.64919 -12.0359 -7.81193 -12.0359 33.4626 -12.3902 -7.81191 -12.3903 -32.5323 GPRESSAVG: 3259600 -6.11419 -11.8838 -10.001 -12.2817 33.6503 -11.3507 -6.58452 -12.8303 -33.0582 TIMING: 3259600 CPU: 9707.76, 0.0029763/step Wall: 9707.76, 0.0029763/step, 1.43888 hours remaining, 207.417969 MB of memory in use. ENERGY: 3259600 700.6708 2163.0420 1935.2428 104.4352 -206097.3909 17690.6414 0.0000 0.0000 34249.4057 -149253.9530 299.1086 -183503.3587 -149156.3432 299.6666 43.9121 74.5214 557248.0738 -1.9063 -1.8407 PRESSURE: 3259800 -359.302 45.1716 -57.4012 45.1718 -169.028 -2.17183 -57.4006 -2.17091 -219.872 GPRESSURE: 3259800 -299.834 59.7693 -58.1648 43.403 -178.752 -77.5218 2.28056 89.8743 -159.954 PRESSAVG: 3259800 -11.9337 14.9929 -15.4997 14.993 8.26103 -14.7956 -15.4997 -14.7957 44.8597 GPRESSAVG: 3259800 -11.6102 17.0002 -13.2952 13.7014 7.89058 -17.7364 -14.9009 -14.8301 45.2511 TIMING: 3259800 CPU: 9708.35, 0.00295457/step Wall: 9708.35, 0.00295457/step, 1.42821 hours remaining, 207.417969 MB of memory in use. ENERGY: 3259800 712.0440 2113.6105 1921.3225 101.9534 -206172.5530 17701.6104 0.0000 0.0000 34366.1240 -149255.8883 300.1279 -183622.0123 -149156.9210 299.5942 -249.4008 -212.8466 559226.8912 13.7290 13.8438 PRESSURE: 3260000 170.716 32.5916 36.8492 32.5915 -17.4364 87.2043 36.8491 87.2049 108.895 GPRESSURE: 3260000 158.333 -77.1582 16.164 80.364 36.2498 137.798 12.1054 2.35395 147.971 PRESSAVG: 3260000 24.9211 -67.5525 23.8526 -67.5525 -21.3205 -19.3209 23.8526 -19.321 27.6478 GPRESSAVG: 3260000 24.2067 -68.1918 23.0385 -67.3914 -20.632 -16.0102 23.228 -19.7519 27.6968 TIMING: 3260000 CPU: 9708.94, 0.00294853/step Wall: 9708.94, 0.00294853/step, 1.42512 hours remaining, 207.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3260000 731.8097 2159.3463 1926.5241 108.8998 -206341.8872 17947.9969 0.0000 0.0000 34244.4824 -149222.8280 299.0656 -183467.3104 -149123.0949 299.2076 87.3918 114.1847 557176.5125 10.4161 10.4238 PRESSURE: 3260200 89.478 -162.365 -49.5487 -162.366 72.9888 -230.523 -49.5484 -230.523 115.445 GPRESSURE: 3260200 128.958 -100.93 9.10173 -193.206 131.652 -185.352 -133.344 -227.609 111.974 PRESSAVG: 3260200 -22.6183 -19.8963 -25.0799 -19.8963 -8.61304 -45.7293 -25.0798 -45.7294 18.3004 GPRESSAVG: 3260200 -22.1818 -19.368 -24.9512 -19.8849 -9.32568 -47.4193 -24.069 -45.8081 18.8681 TIMING: 3260200 CPU: 9709.54, 0.00298573/step Wall: 9709.54, 0.00298573/step, 1.44294 hours remaining, 207.417969 MB of memory in use. ENERGY: 3260200 754.5003 2105.2999 1909.0723 102.6182 -206308.2378 17773.7308 0.0000 0.0000 34482.4956 -149180.5206 301.1442 -183663.0163 -149078.1836 299.0627 92.6373 124.1946 557345.1266 -4.3103 -4.2131 LDB: ============= START OF LOAD BALANCING ============== 9713.09 LDB: ============== END OF LOAD BALANCING =============== 9713.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9713.09 LDB: ============= START OF LOAD BALANCING ============== 9713.39 LDB: Largest compute 4772 load 0.027295 is 23.1% of average load 0.118221 LDB: Average compute 0.001727 is 1.5% of average load 0.118221 LDB: TIME 9713.39 LOAD: AVG 0.118221 MAX 0.199515 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.215 MB LDB: TIME 9713.39 LOAD: AVG 0.118221 MAX 0.199515 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.219 MB LDB: TIME 9713.39 LOAD: AVG 0.118221 MAX 0.199515 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.219 MB LDB: ============== END OF LOAD BALANCING =============== 9713.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9713.4 PRESSURE: 3260400 -89.7917 25.793 54.9074 25.7927 -134.862 94.8742 54.9071 94.8738 -16.9397 GPRESSURE: 3260400 -138.376 85.1574 2.30339 17.0061 -90.0206 111.515 22.513 91.8036 84.2691 PRESSAVG: 3260400 -49.5528 -42.3913 -8.50668 -42.3912 -17.2944 22.673 -8.5066 22.6729 61.859 GPRESSAVG: 3260400 -48.9836 -43.2727 -10.5927 -42.1115 -16.777 24.6655 -8.49692 21.457 61.6858 TIMING: 3260400 CPU: 9710.15, 0.00303478/step Wall: 9710.15, 0.00303478/step, 1.46647 hours remaining, 207.273438 MB of memory in use. ENERGY: 3260400 787.2539 2141.5763 1936.2844 109.3818 -206412.4124 17883.9544 0.0000 0.0000 34328.0663 -149225.8953 299.7955 -183553.9616 -149127.9525 299.3029 -80.5312 -48.0427 557143.3224 -1.6627 -1.3583 PRESSURE: 3260600 -157.36 97.9815 98.0599 97.9813 -240.467 -43.3256 98.0592 -43.3275 -87.3048 GPRESSURE: 3260600 -73.5816 130.533 22.0279 16.1856 -244.598 -44.3428 206.265 -19.1555 -68.7167 PRESSAVG: 3260600 7.73767 44.8281 30.24 44.8281 -41.057 70.0749 30.2401 70.0749 54.3642 GPRESSAVG: 3260600 7.90955 44.7714 32.8481 42.7105 -42.2149 69.9049 28.7189 71.0893 55.9307 TIMING: 3260600 CPU: 9710.74, 0.00296745/step Wall: 9710.74, 0.00296745/step, 1.43377 hours remaining, 207.476562 MB of memory in use. ENERGY: 3260600 763.1334 2055.4155 1968.1933 114.0357 -205661.3528 17426.6531 0.0000 0.0000 34410.2702 -148923.6516 300.5134 -183333.9218 -148830.4739 300.3445 -161.7105 -128.9655 558795.6713 7.0150 7.2085 PRESSURE: 3260800 -3.67859 -13.9781 4.3579 -13.9791 -370.737 10.1996 4.35784 10.1978 -124.121 GPRESSURE: 3260800 15.7182 14.6584 5.08709 -31.707 -382.777 43.9442 63.2116 -28.2916 -40.1891 PRESSAVG: 3260800 -21.7052 -26.9193 48.4714 -26.9193 -25.7005 44.9886 48.4714 44.9886 48.9195 GPRESSAVG: 3260800 -21.5432 -26.4635 48.0423 -25.3018 -25.8886 43.431 50.0442 46.0958 48.9851 TIMING: 3260800 CPU: 9711.34, 0.00298291/step Wall: 9711.34, 0.00298291/step, 1.44108 hours remaining, 207.476562 MB of memory in use. ENERGY: 3260800 775.0959 2085.0297 1945.2889 125.6350 -205976.5858 17737.5228 0.0000 0.0000 34436.7720 -148871.2414 300.7449 -183308.0134 -148769.3254 300.6787 -166.1787 -135.7494 558326.7451 0.5046 0.5178 PRESSURE: 3261000 -172.005 -151.028 72.3538 -151.028 -29.8018 -56.5797 72.353 -56.5792 225.096 GPRESSURE: 3261000 -70.5547 -192.423 100.6 -234.322 -32.8532 -15.0355 148.429 -37.1147 222.427 PRESSAVG: 3261000 -12.2272 -17.0924 -2.96375 -17.0925 42.1156 25.5976 -2.96382 25.5977 -4.04184 GPRESSAVG: 3261000 -12.8175 -16.904 -2.78712 -17.681 43.32 24.0669 -4.47166 25.3552 -4.21156 TIMING: 3261000 CPU: 9711.93, 0.00299361/step Wall: 9711.93, 0.00299361/step, 1.44608 hours remaining, 207.476562 MB of memory in use. ENERGY: 3261000 772.6960 2017.9078 1956.7510 117.1800 -206213.5726 17900.3108 0.0000 0.0000 34331.1896 -149117.5373 299.8228 -183448.7269 -149022.5301 299.8208 7.7630 39.6732 558312.8308 8.6155 8.7636 PRESSURE: 3261200 -8.04922 64.6726 106.484 64.6748 45.5015 115.389 106.483 115.387 164.606 GPRESSURE: 3261200 -34.1975 123.614 115.273 -1.47544 112.229 52.2893 110.994 105.934 215.536 PRESSAVG: 3261200 0.610851 -33.0889 45.7667 -33.0889 -0.880821 -25.9533 45.7667 -25.9533 -24.4518 GPRESSAVG: 3261200 -0.703306 -34.2662 45.2575 -32.3226 0.153682 -23.8378 45.9273 -27.9985 -24.3561 TIMING: 3261200 CPU: 9712.53, 0.00298516/step Wall: 9712.53, 0.00298516/step, 1.44183 hours remaining, 207.476562 MB of memory in use. ENERGY: 3261200 756.7904 2103.3187 1910.0269 129.8230 -206605.1539 18189.7240 0.0000 0.0000 34226.1051 -149289.3657 298.9051 -183515.4708 -149192.5852 298.7319 67.3527 97.8558 558272.0927 -8.2406 -8.3019 PRESSURE: 3261400 -99.5084 -69.8642 30.2313 -69.8634 -0.94675 -127.491 30.2305 -127.491 -81.9649 GPRESSURE: 3261400 -4.2473 -31.5692 -37.8239 -95.2119 2.32941 -137.69 5.00732 -121.723 -82.2074 PRESSAVG: 3261400 26.7062 -43.5336 9.68674 -43.5336 -18.5306 5.37469 9.68671 5.37465 -8.0953 GPRESSAVG: 3261400 29.507 -41.3518 10.2343 -43.9546 -20.4566 5.64939 10.0064 5.47126 -9.00849 TIMING: 3261400 CPU: 9713.12, 0.00295011/step Wall: 9713.12, 0.00295011/step, 1.42474 hours remaining, 207.476562 MB of memory in use. ENERGY: 3261400 735.0862 2124.1737 1920.1657 111.2490 -206135.9958 17783.4663 0.0000 0.0000 34331.0588 -149130.7962 299.8217 -183461.8549 -149039.8675 298.7676 -60.8067 -28.0418 558370.6230 0.0268 0.0140 PRESSURE: 3261600 29.4721 99.6888 113.713 99.6879 -227.426 -126.291 113.714 -126.292 -109.156 GPRESSURE: 3261600 -10.7998 109.321 56.4171 12.3885 -180.412 -120.708 179.53 -105.418 -20.0653 PRESSAVG: 3261600 20.5632 2.90953 -2.63016 2.90955 9.93501 16.1871 -2.63015 16.1871 -13.0948 GPRESSAVG: 3261600 20.1385 0.709591 -3.24644 2.22127 10.796 14.0972 -2.09406 17.4575 -12.8446 TIMING: 3261600 CPU: 9713.71, 0.00294311/step Wall: 9713.71, 0.00294311/step, 1.4212 hours remaining, 207.476562 MB of memory in use. ENERGY: 3261600 753.7290 2090.2535 1925.8212 128.1711 -206004.5310 17683.9243 0.0000 0.0000 34267.6531 -149154.9789 299.2679 -183422.6320 -149063.1866 299.5244 -102.3700 -70.4255 558347.4071 5.8011 6.0300 PRESSURE: 3261800 -152.773 -34.5717 -100.127 -34.572 -70.9726 -55.6011 -100.128 -55.6015 -19.7695 GPRESSURE: 3261800 -144.882 1.00115 -20.2983 -130.532 -46.6443 -142.528 -107.625 70.3205 39.3565 PRESSAVG: 3261800 9.3448 13.3192 -21.7641 13.3191 -94.7096 -56.6146 -21.7641 -56.6147 56.3775 GPRESSAVG: 3261800 8.65372 12.7789 -20.4732 14.399 -94.3021 -55.1287 -23.52 -55.2477 56.7396 TIMING: 3261800 CPU: 9714.3, 0.00294507/step Wall: 9714.3, 0.00294507/step, 1.42198 hours remaining, 207.476562 MB of memory in use. ENERGY: 3261800 764.1455 2070.4688 1902.0706 89.8442 -206404.6886 17826.5407 0.0000 0.0000 34495.9558 -149255.6629 301.2618 -183751.6187 -149152.2925 299.1110 -81.1715 -50.7231 557808.6257 -9.6624 -9.6363 PRESSURE: 3262000 -80.4167 60.1294 -116.255 60.1288 108.621 118.131 -116.256 118.132 -62.1151 GPRESSURE: 3262000 -58.5816 58.1318 -189.794 -47.0752 128.359 99.1434 -103.719 54.3629 -5.34671 PRESSAVG: 3262000 -35.487 -4.19566 -54.0537 -4.19574 -0.228918 44.1067 -54.0536 44.1067 1.52547 GPRESSAVG: 3262000 -34.4713 -1.54194 -53.1475 -5.74356 -1.4699 42.8015 -55.0324 43.9952 2.37759 TIMING: 3262000 CPU: 9714.89, 0.00296108/step Wall: 9714.89, 0.00296108/step, 1.42955 hours remaining, 207.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3262000 737.7751 2117.5436 1910.8447 120.4519 -206455.6047 18000.0906 0.0000 0.0000 34404.6355 -149164.2633 300.4642 -183568.8988 -149067.6147 299.2790 -11.3036 21.4769 558325.8073 -11.3968 -11.1879 PRESSURE: 3262200 11.3174 -86.9993 121.56 -86.9977 3.23316 -98.3378 121.56 -98.3361 22.0961 GPRESSURE: 3262200 70.0348 -137.081 187.577 -47.9437 30.8258 -118.413 107.178 -47.7983 24.1862 PRESSAVG: 3262200 -7.353 -13.7368 -7.84392 -13.7369 -26.4121 -6.89684 -7.84394 -6.89683 35.3912 GPRESSAVG: 3262200 -7.16192 -14.1403 -9.26575 -13.3426 -24.8345 -5.07512 -7.09438 -6.73139 33.4803 TIMING: 3262200 CPU: 9715.48, 0.00295335/step Wall: 9715.48, 0.00295335/step, 1.42565 hours remaining, 207.476562 MB of memory in use. ENERGY: 3262200 768.5075 2082.3724 1949.6619 111.0660 -206198.7019 17814.2329 0.0000 0.0000 34348.7426 -149124.1185 299.9761 -183472.8612 -149023.8807 299.5883 12.2155 41.6823 559187.2869 0.5420 0.4946 PRESSURE: 3262400 -93.9992 -136.315 -138.521 -136.314 6.66601 20.2376 -138.521 20.2357 -95.5385 GPRESSURE: 3262400 -69.0519 -205.243 -188.513 -135.515 19.6521 -17.3898 -109.755 -28.0878 -53.7732 PRESSAVG: 3262400 8.00214 -45.8659 44.8419 -45.866 6.88912 -37.8361 44.842 -37.8361 -3.88769 GPRESSAVG: 3262400 8.05852 -46.5758 44.3939 -44.7194 5.55643 -38.3194 45.8318 -39.2666 -3.18432 TIMING: 3262400 CPU: 9716.08, 0.00297512/step Wall: 9716.08, 0.00297512/step, 1.43599 hours remaining, 207.476562 MB of memory in use. ENERGY: 3262400 729.0948 2139.0350 1918.8875 103.2933 -206549.3321 17909.8422 0.0000 0.0000 34316.4659 -149432.7134 299.6942 -183749.1794 -149339.1759 299.7022 -60.9572 -34.3910 557775.0887 3.6679 3.4769 PRESSURE: 3262600 71.4866 93.8581 81.5068 93.8575 -156.6 144.313 81.506 144.312 104.966 GPRESSURE: 3262600 103.995 -10.4774 -46.4213 157.331 -177.23 186.161 106.838 121.567 189.232 PRESSAVG: 3262600 36.9427 -58.245 1.93812 -58.245 -34.1117 9.93181 1.93809 9.93189 21.1387 GPRESSAVG: 3262600 36.9596 -59.0276 2.38222 -60.0124 -33.9618 9.85029 1.71278 11.2838 21.5491 TIMING: 3262600 CPU: 9716.67, 0.00298678/step Wall: 9716.67, 0.00298678/step, 1.44145 hours remaining, 207.476562 MB of memory in use. ENERGY: 3262600 722.9634 2099.0290 1947.5812 101.5686 -206401.3307 17825.8403 0.0000 0.0000 34385.3669 -149318.9813 300.2960 -183704.3482 -149219.9943 299.7945 6.6175 38.6655 556856.5036 7.9899 8.1823 PRESSURE: 3262800 -326.028 55.1586 -110.775 55.1582 -219.276 -54.3507 -110.775 -54.35 -289.131 GPRESSURE: 3262800 -289.077 33.2048 -152.204 103.242 -194.569 -120.61 -97.0871 -25.2377 -245.008 PRESSAVG: 3262800 -1.06288 -35.8362 -39.4166 -35.8363 -28.0719 22.0942 -39.4166 22.0942 69.9549 GPRESSAVG: 3262800 -1.7426 -35.1443 -38.8176 -34.5352 -27.8138 23.8919 -40.31 19.8535 70.1465 TIMING: 3262800 CPU: 9717.27, 0.00297253/step Wall: 9717.27, 0.00297253/step, 1.43441 hours remaining, 207.476562 MB of memory in use. ENERGY: 3262800 752.9854 2107.6297 1933.8499 115.6053 -205981.8443 17472.8649 0.0000 0.0000 34336.3269 -149262.5822 299.8677 -183598.9090 -149164.4790 299.5462 -278.1450 -242.8848 559570.6629 13.6067 13.5300 PRESSURE: 3263000 200.741 109.981 -105.978 109.982 -70.7496 -243.279 -105.978 -243.278 141.565 GPRESSURE: 3263000 212.841 134.662 -93.8027 136.297 -20.1656 -233.552 -34.2484 -268.025 185.619 PRESSAVG: 3263000 23.1997 8.44717 45.2627 8.44719 -47.108 -18.533 45.2627 -18.5329 54.5863 GPRESSAVG: 3263000 23.5257 7.03755 44.5988 8.83086 -46.7977 -18.978 47.4448 -19.0159 54.2226 TIMING: 3263000 CPU: 9717.86, 0.00295132/step Wall: 9717.86, 0.00295132/step, 1.42401 hours remaining, 207.476562 MB of memory in use. ENERGY: 3263000 795.8409 2029.5513 1928.1368 101.0115 -206578.6141 18025.5530 0.0000 0.0000 34313.9893 -149384.5312 299.6726 -183698.5205 -149287.5670 299.3128 90.5188 126.0978 558282.8825 10.2260 10.3169 PRESSURE: 3263200 -21.0939 115.09 -33.4089 115.09 -252.311 17.4721 -33.4086 17.4725 -193.055 GPRESSURE: 3263200 15.6703 191.196 -111.179 52.4269 -215.11 48.2677 -8.95746 59.0696 -176.181 PRESSAVG: 3263200 27.839 12.1849 -13.7934 12.1849 -10.614 -57.5579 -13.7932 -57.558 -31.1819 GPRESSAVG: 3263200 26.4882 12.9196 -13.8259 12.3392 -9.61556 -58.787 -14.6931 -55.9518 -30.3428 TIMING: 3263200 CPU: 9718.45, 0.00295985/step Wall: 9718.45, 0.00295985/step, 1.42796 hours remaining, 207.476562 MB of memory in use. ENERGY: 3263200 764.9182 2090.7550 1938.7126 113.4340 -206169.1991 17686.7336 0.0000 0.0000 34255.2837 -149319.3620 299.1599 -183574.6457 -149219.6417 298.7476 -155.4866 -125.2068 558026.4481 -4.6523 -4.4900 PRESSURE: 3263400 50.3072 -25.5709 -64.6868 -25.5711 -203.782 42.6043 -64.6865 42.6043 -250.77 GPRESSURE: 3263400 75.3939 55.3901 -6.66985 -55.0447 -184.919 83.6845 -104.429 4.18059 -197.568 PRESSAVG: 3263400 55.373 8.28846 -17.2963 8.28847 -26.5592 0.253174 -17.2963 0.25326 -11.5381 GPRESSAVG: 3263400 56.4658 9.40658 -17.137 5.76002 -27.654 2.98499 -16.3809 -0.744146 -10.8611 TIMING: 3263400 CPU: 9719.04, 0.00296605/step Wall: 9719.04, 0.00296605/step, 1.43079 hours remaining, 207.476562 MB of memory in use. ENERGY: 3263400 787.8709 2115.6385 1933.4276 111.4693 -206398.7105 17952.9487 0.0000 0.0000 34071.4362 -149425.9193 297.5543 -183497.3555 -149332.3971 298.2836 -134.7482 -102.3647 558198.1834 5.7586 5.9835 PRESSURE: 3263600 148.384 -117.282 -23.0833 -117.283 -24.7887 16.9638 -23.0848 16.9621 -117.253 GPRESSURE: 3263600 175.071 -3.13365 -69.8851 -140.876 -20.0528 -46.6617 -10.4683 88.9979 -53.2682 PRESSAVG: 3263600 15.552 -57.3518 -3.33625 -57.3518 -53.6208 -3.40437 -3.3363 -3.40424 7.59034 GPRESSAVG: 3263600 15.8411 -57.5621 -2.72619 -55.4807 -54.0899 -5.61569 -3.36575 -2.20917 7.60086 TIMING: 3263600 CPU: 9719.64, 0.00295633/step Wall: 9719.64, 0.00295633/step, 1.42594 hours remaining, 207.476562 MB of memory in use. ENERGY: 3263600 745.7245 2082.4711 1935.8736 124.6188 -206324.4986 17914.5675 0.0000 0.0000 34291.4703 -149229.7728 299.4759 -183521.2432 -149131.1682 298.9386 2.1142 33.9168 557758.6692 -10.1595 -10.2160 PRESSURE: 3263800 -18.5279 -151.091 196.392 -151.091 -124.298 26.4007 196.393 26.401 -22.5801 GPRESSURE: 3263800 50.7 -140.455 225.552 -176.276 -92.0174 19.9554 200.217 -11.3324 -12.5858 PRESSAVG: 3263800 -9.78504 -58.5164 6.82305 -58.5164 -5.56168 -34.2962 6.823 -34.2963 46.4811 GPRESSAVG: 3263800 -10.9301 -58.1697 4.53914 -57.8977 -5.20627 -33.6936 5.53032 -35.3215 46.8927 TIMING: 3263800 CPU: 9720.23, 0.0029774/step Wall: 9720.23, 0.0029774/step, 1.43593 hours remaining, 207.476562 MB of memory in use. ENERGY: 3263800 750.3843 2124.7214 1938.2586 118.1165 -206458.3107 17760.1125 0.0000 0.0000 34275.3307 -149491.3868 299.3350 -183766.7175 -149391.6171 299.5842 -55.1354 -17.9678 556501.1114 10.3781 10.2521 PRESSURE: 3264000 -2.56665 46.6196 -26.778 46.6205 -23.8644 -19.4761 -26.7784 -19.4751 -0.670217 GPRESSURE: 3264000 94.7349 67.3098 32.015 -30.5615 4.94496 3.3986 -30.0993 -123.943 -10.6974 PRESSAVG: 3264000 30.8489 -37.0335 10.9221 -37.0335 -5.39138 -17.2429 10.922 -17.243 -32.8884 GPRESSAVG: 3264000 31.1866 -36.8287 11.218 -40.6183 -6.45023 -17.1744 13.0903 -17.1593 -32.2399 TIMING: 3264000 CPU: 9720.82, 0.00295736/step Wall: 9720.82, 0.00295736/step, 1.4261 hours remaining, 207.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3264000 728.8114 2137.8819 1917.5004 106.7860 -206333.6737 17808.5050 0.0000 0.0000 34178.2489 -149455.9400 298.4871 -183634.1889 -149366.7162 298.8278 -9.0338 29.6608 556555.2019 -2.4770 -2.5012 PRESSURE: 3264200 183.807 89.2014 103.476 89.2008 62.7295 68.6002 103.476 68.6007 -26.2925 GPRESSURE: 3264200 210.773 153.844 91.0331 77.2357 76.4995 38.812 126.84 -23.6097 23.4775 PRESSAVG: 3264200 30.3763 4.07487 -21.4004 4.07478 1.04082 -3.75866 -21.4005 -3.7586 -53.5155 GPRESSAVG: 3264200 31.6868 1.78577 -19.1923 7.19891 2.27255 -4.13545 -22.82 -3.75101 -55.9649 TIMING: 3264200 CPU: 9721.42, 0.00297451/step Wall: 9721.42, 0.00297451/step, 1.43421 hours remaining, 207.476562 MB of memory in use. ENERGY: 3264200 691.1995 2116.0093 1916.1898 111.2847 -206567.7649 17873.4065 0.0000 0.0000 34380.5631 -149479.1120 300.2540 -183859.6751 -149381.4742 298.5064 73.4146 103.5834 557443.8062 -7.3661 -7.3352 LDB: ============= START OF LOAD BALANCING ============== 9724.97 LDB: ============== END OF LOAD BALANCING =============== 9724.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9724.97 LDB: ============= START OF LOAD BALANCING ============== 9725.26 LDB: Largest compute 4772 load 0.026730 is 22.6% of average load 0.118222 LDB: Average compute 0.001726 is 1.5% of average load 0.118222 LDB: TIME 9725.27 LOAD: AVG 0.118222 MAX 0.197511 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.039 MB LDB: TIME 9725.27 LOAD: AVG 0.118222 MAX 0.197511 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.238 MB LDB: TIME 9725.27 LOAD: AVG 0.118222 MAX 0.197511 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.238 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9725.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9725.27 PRESSURE: 3264400 40.1012 -26.4655 35.5681 -26.4649 -164.044 -112.87 35.5696 -112.869 -42.5017 GPRESSURE: 3264400 68.4492 12.7943 60.0801 -54.8273 -162.523 -157.387 102.921 -162.733 33.2577 PRESSAVG: 3264400 -11.9765 39.2665 -37.3292 39.2665 52.2242 -13.2232 -37.3291 -13.2232 -64.7314 GPRESSAVG: 3264400 -12.5807 41.2151 -40.0814 37.7448 52.0739 -13.2659 -37.2207 -11.8103 -63.8402 TIMING: 3264400 CPU: 9722.02, 0.00301997/step Wall: 9722.02, 0.00301997/step, 1.45596 hours remaining, 209.363281 MB of memory in use. ENERGY: 3264400 742.5813 2092.3587 1946.3824 115.8581 -206212.8791 17664.0497 0.0000 0.0000 34106.5839 -149545.0649 297.8613 -183651.6488 -149442.3629 297.9258 -55.4817 -20.2721 557941.5132 -8.1612 -8.1157 PRESSURE: 3264600 61.2306 94.3042 -319.665 94.3052 126.102 37.6235 -319.666 37.6221 30.4999 GPRESSURE: 3264600 176.528 36.0797 -319.827 166.279 113.745 76.19 -365.196 27.6631 19.1571 PRESSAVG: 3264600 59.9665 15.8743 -22.2568 15.8743 -29.9675 -38.1818 -22.2568 -38.1819 -58.8149 GPRESSAVG: 3264600 59.4772 15.712 -20.3922 17.3171 -29.1279 -39.913 -22.8361 -37.7369 -58.9061 TIMING: 3264600 CPU: 9722.61, 0.00292564/step Wall: 9722.61, 0.00292564/step, 1.41032 hours remaining, 209.433594 MB of memory in use. ENERGY: 3264600 757.7851 2115.7274 1940.2581 113.0775 -206735.8637 17877.7484 0.0000 0.0000 34463.1963 -149468.0708 300.9757 -183931.2671 -149368.8414 299.0019 72.6107 103.1432 556095.6558 -9.6053 -9.5189 PRESSURE: 3264800 53.3045 35.4289 -142.394 35.4279 -118.861 -37.0911 -142.395 -37.09 79.3906 GPRESSURE: 3264800 94.5794 -29.5086 -124.679 -26.5385 -133.119 -43.5037 -121.95 -40.3976 138.567 PRESSAVG: 3264800 52.983 -31.6618 -11.737 -31.6617 45.9414 -30.218 -11.7369 -30.218 -34.1397 GPRESSAVG: 3264800 55.1335 -33.5915 -14.3249 -31.2235 44.0369 -29.6777 -9.86535 -30.8527 -34.2652 TIMING: 3264800 CPU: 9723.19, 0.00292026/step Wall: 9723.19, 0.00292026/step, 1.40756 hours remaining, 209.433594 MB of memory in use. ENERGY: 3264800 755.0478 2150.5488 1945.5936 116.5684 -206417.1826 17821.0094 0.0000 0.0000 34065.0672 -149563.3473 297.4987 -183628.4145 -149467.2890 299.2602 4.6114 33.3427 556388.5183 21.5949 21.6351 PRESSURE: 3265000 -281.606 40.6939 109.401 40.6928 12.2799 -186.927 109.402 -186.927 -119.918 GPRESSURE: 3265000 -214.508 8.81141 114.659 79.4916 39.9681 -123.879 50.6762 -175.069 -127.295 PRESSAVG: 3265000 -22.5355 -23.3539 -11.9767 -23.3538 29.9902 -85.0395 -11.9766 -85.0395 -22.0483 GPRESSAVG: 3265000 -23.7018 -23.0758 -9.44015 -22.7136 31.7967 -85.2327 -13.4072 -84.6335 -22.1212 TIMING: 3265000 CPU: 9723.78, 0.00295286/step Wall: 9723.78, 0.00295286/step, 1.42312 hours remaining, 209.433594 MB of memory in use. ENERGY: 3265000 783.7928 2073.6064 1920.8426 110.6315 -206315.5089 17698.8419 0.0000 0.0000 34120.1964 -149607.5973 297.9802 -183727.7938 -149507.1550 298.4711 -129.7478 -100.6114 555674.3417 -4.8645 -4.6754 PRESSURE: 3265200 -168.338 -128.228 -157.202 -128.228 56.2122 -167.279 -157.202 -167.279 -140.464 GPRESSURE: 3265200 -130.816 -117.984 -141.695 -110.391 80.2954 -199.974 -99.7503 -162.707 -107.61 PRESSAVG: 3265200 -16.4758 -38.4741 -39.1849 -38.4741 -0.783615 -14.4693 -39.185 -14.4694 -14.9516 GPRESSAVG: 3265200 -15.9636 -34.9576 -39.54 -40.9403 -1.93652 -11.903 -37.8206 -14.4773 -13.9112 TIMING: 3265200 CPU: 9724.37, 0.00293936/step Wall: 9724.37, 0.00293936/step, 1.41644 hours remaining, 209.433594 MB of memory in use. ENERGY: 3265200 762.2266 2032.9262 1924.1967 106.8582 -206628.7758 17957.9835 0.0000 0.0000 34117.6426 -149726.9420 297.9579 -183844.5846 -149622.4978 297.8323 -84.1966 -52.7101 555634.4885 -10.7370 -10.6038 PRESSURE: 3265400 -82.5198 -91.8874 -165.896 -91.8891 241.601 49.5767 -165.895 49.5764 194.259 GPRESSURE: 3265400 -75.8139 -157.549 -166.076 -164.982 296.565 69.4697 -166.845 -21.7179 235.386 PRESSAVG: 3265400 -26.5381 -2.58028 11.4674 -2.58031 16.6657 -5.56782 11.4675 -5.56772 14.2245 GPRESSAVG: 3265400 -25.482 -5.22705 12.0108 -0.34569 16.0403 -5.65348 10.5702 -7.99119 13.9132 TIMING: 3265400 CPU: 9724.96, 0.0029346/step Wall: 9724.96, 0.0029346/step, 1.41399 hours remaining, 209.433594 MB of memory in use. ENERGY: 3265400 713.2947 2086.7383 1922.4139 108.8277 -206533.4568 18003.9179 0.0000 0.0000 33958.5858 -149739.6786 296.5688 -183698.2644 -149648.7656 297.5825 117.7802 152.0459 557233.0815 1.4507 1.4905 PRESSURE: 3265600 -33.9281 -3.59724 -27.3324 -3.5978 -307.512 -15.2085 -27.3328 -15.209 -28.3045 GPRESSURE: 3265600 -17.2579 116.813 13.7162 -18.8605 -280.267 -106.204 -9.53425 -20.8775 26.3006 PRESSAVG: 3265600 -14.2787 15.4474 3.37538 15.4474 57.0483 -9.16965 3.37536 -9.16958 -18.7834 GPRESSAVG: 3265600 -15.5481 16.3022 5.13904 15.1963 58.1999 -8.72547 3.46162 -7.5821 -18.3288 TIMING: 3265600 CPU: 9725.54, 0.00292737/step Wall: 9725.54, 0.00292737/step, 1.41034 hours remaining, 209.433594 MB of memory in use. ENERGY: 3265600 749.9139 2100.7778 1901.3001 121.2420 -206307.7160 17644.4380 0.0000 0.0000 34220.2206 -149569.8236 298.8537 -183790.0442 -149472.4918 298.0242 -123.2482 -90.4080 556497.5464 7.9954 8.1077 PRESSURE: 3265800 -67.1381 -32.6852 31.0196 -32.6851 -151.595 -59.0538 31.019 -59.0532 -269.682 GPRESSURE: 3265800 -89.0348 -36.9255 17.4164 -20.1997 -104.334 81.4196 65.0938 -133.517 -209.289 PRESSAVG: 3265800 -30.1602 44.5234 -11.6162 44.5233 34.3517 12.014 -11.6163 12.0141 2.72035 GPRESSAVG: 3265800 -29.6006 45.8607 -14.1955 43.8992 34.9391 10.518 -10.4684 11.2808 1.96258 TIMING: 3265800 CPU: 9726.13, 0.00292908/step Wall: 9726.13, 0.00292908/step, 1.411 hours remaining, 209.433594 MB of memory in use. ENERGY: 3265800 772.3815 2102.4183 1900.7917 116.8553 -205796.3938 17524.5260 0.0000 0.0000 33897.5932 -149481.8278 296.0361 -183379.4211 -149381.3346 299.0264 -162.8051 -134.2191 556867.1167 2.3040 2.4337 PRESSURE: 3266000 84.3676 -32.0935 -128.868 -32.0931 -193.204 139.326 -128.869 139.326 1.25573 GPRESSURE: 3266000 145.862 51.1989 -93.663 -92.1678 -157.799 152.2 -89.3232 99.5531 19.6027 PRESSAVG: 3266000 25.4103 -11.5368 -44.2584 -11.5368 -55.7726 25.6048 -44.2584 25.6047 6.96206 GPRESSAVG: 3266000 26.5124 -11.8576 -41.9821 -11.0082 -57.4103 25.6897 -47.2007 25.8983 8.45404 TIMING: 3266000 CPU: 9726.71, 0.00293576/step Wall: 9726.71, 0.00293576/step, 1.41406 hours remaining, 209.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3266000 773.6939 2127.8310 1926.9808 108.4883 -206425.6942 17864.0317 0.0000 0.0000 34043.8526 -149580.8160 297.3134 -183624.6685 -149484.1143 297.9980 -35.8603 2.5551 555766.5295 -7.8001 -7.4813 PRESSURE: 3266200 -168.981 62.5706 -124.237 62.5695 -29.7791 53.4062 -124.238 53.4062 160.421 GPRESSURE: 3266200 -167.078 -3.21962 -234.51 86.9498 -5.08605 31.6294 -119.202 29.3765 230.115 PRESSAVG: 3266200 25.6183 7.4359 -10.0165 7.436 -3.74293 11.0094 -10.0165 11.0095 -34.1345 GPRESSAVG: 3266200 24.3207 4.89019 -12.6763 8.4292 -2.78265 9.52411 -8.26393 11.1133 -33.5686 TIMING: 3266200 CPU: 9727.3, 0.00293544/step Wall: 9727.3, 0.00293544/step, 1.41374 hours remaining, 209.433594 MB of memory in use. ENERGY: 3266200 762.0190 2118.5550 1942.4030 108.5000 -206352.2020 17737.1521 0.0000 0.0000 34218.1528 -149465.4202 298.8356 -183683.5730 -149372.0843 298.5165 -12.7796 19.3170 555547.9984 -4.0864 -4.0102 PRESSURE: 3266400 -114.015 -75.075 33.8142 -75.073 80.1617 -201.924 33.815 -201.923 22.2541 GPRESSURE: 3266400 -98.0445 5.03123 45.5885 -63.9405 126.59 -148.495 2.66929 -188.666 58.7158 PRESSAVG: 3266400 -26.4997 -8.84346 -48.9953 -8.84346 14.3042 16.023 -48.9954 16.0229 19.4985 GPRESSAVG: 3266400 -26.5656 -5.74686 -50.4601 -10.196 14.2223 18.5975 -46.7012 16.2549 19.384 TIMING: 3266400 CPU: 9727.9, 0.00297027/step Wall: 9727.9, 0.00297027/step, 1.43035 hours remaining, 209.433594 MB of memory in use. ENERGY: 3266400 752.3615 2126.3536 1944.5112 112.2731 -206720.1646 17938.6241 0.0000 0.0000 34405.3695 -149440.6716 300.4706 -183846.0411 -149353.4121 299.2246 -3.8664 29.0870 556047.1744 2.4343 2.3469 PRESSURE: 3266600 -41.1596 -23.4055 -178.807 -23.4046 -96.3426 -2.09182 -178.808 -2.09085 162.337 GPRESSURE: 3266600 28.6439 -43.0218 -183.729 8.57224 -79.1894 18.8473 -279.65 -30.8201 177.514 PRESSAVG: 3266600 8.99666 -60.8233 -27.667 -60.8234 -1.72001 -10.3324 -27.667 -10.3325 15.8524 GPRESSAVG: 3266600 9.9035 -62.012 -26.0796 -61.3981 -2.09441 -10.3694 -30.6262 -10.5583 15.6052 TIMING: 3266600 CPU: 9728.49, 0.00295247/step Wall: 9728.49, 0.00295247/step, 1.42161 hours remaining, 209.433594 MB of memory in use. ENERGY: 3266600 730.3262 2102.4496 1917.5259 110.0138 -206404.0226 17894.7012 0.0000 0.0000 34168.2805 -149480.7253 298.4001 -183649.0058 -149387.3256 298.6413 8.2782 42.3230 556574.2411 7.7097 7.8048 PRESSURE: 3266800 41.6482 -142.155 -40.0681 -142.155 -86.7774 100.532 -40.0685 100.53 -166.609 GPRESSURE: 3266800 108.392 -84.8059 -7.69612 -150.527 -52.6651 87.7192 -101.818 147.522 -152.809 PRESSAVG: 3266800 29.4504 -39.0588 -14.0244 -39.0588 3.90798 -2.78796 -14.0244 -2.78803 -7.74554 GPRESSAVG: 3266800 28.1305 -39.5209 -14.1397 -39.3308 5.21406 -2.33868 -12.8487 -3.17462 -7.52539 TIMING: 3266800 CPU: 9729.07, 0.00293494/step Wall: 9729.07, 0.00293494/step, 1.41301 hours remaining, 209.433594 MB of memory in use. ENERGY: 3266800 744.9470 2092.1833 1929.0196 111.8569 -206506.4518 17848.3136 0.0000 0.0000 34316.8723 -149463.2591 299.6978 -183780.1314 -149362.5728 298.4671 -70.5796 -32.3606 557128.8681 8.5376 8.6064 PRESSURE: 3267000 -7.66229 47.4543 134.924 47.4533 -222.944 -96.0615 134.923 -96.0623 45.8985 GPRESSURE: 3267000 48.8964 89.7462 77.1506 73.8425 -256.199 46.7483 167.588 -85.4059 129.725 PRESSAVG: 3267000 42.0451 -48.1057 -6.49632 -48.1055 -87.8866 15.833 -6.49639 15.8329 69.204 GPRESSAVG: 3267000 43.2001 -48.2422 -5.33166 -46.9806 -88.332 15.5783 -7.72976 15.556 68.7001 TIMING: 3267000 CPU: 9729.66, 0.00293046/step Wall: 9729.66, 0.00293046/step, 1.41069 hours remaining, 209.433594 MB of memory in use. ENERGY: 3267000 773.1034 2110.0732 1943.0295 113.5435 -205993.8637 17507.8773 0.0000 0.0000 34106.6991 -149439.5378 297.8623 -183546.2368 -149340.4208 298.5803 -61.5692 -25.8593 556383.9979 7.7875 7.8561 PRESSURE: 3267200 -174.856 45.6242 24.7864 45.6237 -150.755 -39.4069 24.7865 -39.4069 9.26868 GPRESSURE: 3267200 -126.285 35.8005 54.6351 41.0851 -99.7433 -74.8095 19.9278 -58.4728 8.52576 PRESSAVG: 3267200 5.4183 21.158 -36.2136 21.1581 -49.0746 -14.1506 -36.2136 -14.1505 49.0966 GPRESSAVG: 3267200 5.44359 21.0019 -37.3857 20.1075 -50.6002 -12.9641 -35.9808 -14.663 50.4187 TIMING: 3267200 CPU: 9730.25, 0.00295036/step Wall: 9730.25, 0.00295036/step, 1.42011 hours remaining, 209.433594 MB of memory in use. ENERGY: 3267200 718.7917 2085.0175 1904.3296 116.0467 -206229.6485 17561.3934 0.0000 0.0000 34245.5478 -149598.5219 299.0749 -183844.0697 -149498.8471 298.7055 -105.4473 -72.5008 555686.8510 1.8134 1.7540 PRESSURE: 3267400 -388.394 73.7526 -46.9394 73.7514 147.545 56.8154 -46.9393 56.8156 -37.5263 GPRESSURE: 3267400 -337.624 20.3473 29.3882 125.37 113.195 173.183 -58.2343 -22.6012 33.5733 PRESSAVG: 3267400 -2.95457 2.01541 9.68508 2.01545 -7.61253 74.9229 9.68511 74.9228 22.7592 GPRESSAVG: 3267400 -3.37593 0.348489 10.7873 3.98892 -7.36104 74.5753 10.5376 75.1702 23.2385 TIMING: 3267400 CPU: 9730.84, 0.00297584/step Wall: 9730.84, 0.00297584/step, 1.43221 hours remaining, 209.433594 MB of memory in use. ENERGY: 3267400 767.6839 2121.4615 1925.7074 108.0536 -206193.7892 17733.0004 0.0000 0.0000 34040.6722 -149497.2101 297.2857 -183537.8823 -149403.0549 298.1344 -92.7917 -63.6186 558193.1700 4.0640 4.1672 PRESSURE: 3267600 235.645 -129.205 -85.9009 -129.206 26.2344 -32.5261 -85.9016 -32.5271 -162.802 GPRESSURE: 3267600 281.214 -156.782 -150.015 -161.712 46.4936 -2.90793 -68.5376 -19.2695 -140.718 PRESSAVG: 3267600 20.8357 4.57379 10.1958 4.57377 14.8173 -4.74725 10.1959 -4.74738 -35.2991 GPRESSAVG: 3267600 22.4636 7.92872 10.2067 3.91444 14.1616 -5.55831 8.08183 -4.82997 -36.3234 TIMING: 3267600 CPU: 9731.44, 0.00296861/step Wall: 9731.44, 0.00296861/step, 1.42856 hours remaining, 209.433594 MB of memory in use. ENERGY: 3267600 753.7868 2104.2818 1928.7476 104.1854 -206378.4554 17792.8708 0.0000 0.0000 34378.8320 -149315.7510 300.2389 -183694.5830 -149220.3086 298.7343 33.0258 62.3297 556972.8525 0.1180 0.1006 PRESSURE: 3267800 6.37111 225.918 -53.2713 225.918 -228.559 -49.2686 -53.272 -49.2682 -8.75835 GPRESSURE: 3267800 36.6764 187.447 -81.4257 143.604 -186.442 -24.8117 -86.8182 -39.0774 2.88249 PRESSAVG: 3267800 -53.8365 3.90875 -35.7982 3.90886 17.2758 -32.23 -35.7981 -32.2299 -21.3174 GPRESSAVG: 3267800 -56.2266 2.55154 -37.6911 1.40822 18.1942 -33.6834 -32.1352 -29.4161 -19.7994 TIMING: 3267800 CPU: 9732.03, 0.00293307/step Wall: 9732.03, 0.00293307/step, 1.41129 hours remaining, 209.433594 MB of memory in use. ENERGY: 3267800 779.8273 2138.6261 1937.9107 114.7952 -206211.8368 17653.6771 0.0000 0.0000 34374.9827 -149212.0178 300.2053 -183587.0005 -149114.8515 299.4174 -76.9821 -48.9611 558409.7482 -19.2927 -19.2773 PRESSURE: 3268000 -174.276 68.125 67.8621 68.1245 -187.674 -160.407 67.8624 -160.406 113.615 GPRESSURE: 3268000 -183.846 -73.7547 105.297 92.413 -105.992 -216.611 22.5061 -126.903 133.719 PRESSAVG: 3268000 9.57518 1.33896 2.02201 1.33899 -61.9258 -55.5097 2.02208 -55.5097 56.5376 GPRESSAVG: 3268000 10.8253 -0.790997 2.53437 3.1374 -61.5566 -53.6489 2.05166 -55.3109 54.7085 TIMING: 3268000 CPU: 9732.61, 0.00293394/step Wall: 9732.61, 0.00293394/step, 1.41155 hours remaining, 209.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3268000 752.0604 2127.2535 1929.9191 119.7043 -205563.6603 17408.4536 0.0000 0.0000 34258.2410 -148968.0283 299.1857 -183226.2692 -148878.7004 299.6507 -82.7785 -52.0395 557385.5271 1.3957 1.3258 PRESSURE: 3268200 385.45 -53.3045 -50.7902 -53.3041 -14.6694 -62.7841 -50.7904 -62.7857 42.9472 GPRESSURE: 3268200 350.974 -93.2286 42.7695 -46.8152 79.8404 -84.514 3.82121 13.1685 75.5471 PRESSAVG: 3268200 6.66549 -6.89722 -48.6385 -6.89723 -49.5632 -37.1361 -48.6385 -37.136 49.7317 GPRESSAVG: 3268200 5.88371 -4.97795 -47.3245 -5.95418 -49.3831 -37.7744 -48.2684 -39.1826 49.9619 TIMING: 3268200 CPU: 9733.2, 0.00293559/step Wall: 9733.2, 0.00293559/step, 1.41218 hours remaining, 209.433594 MB of memory in use. ENERGY: 3268200 726.3587 2149.9664 1935.3185 100.2750 -206217.1465 18000.9247 0.0000 0.0000 34261.1867 -149043.1166 299.2115 -183304.3034 -148944.6892 299.9302 137.9093 168.7871 557154.6336 2.2780 2.1542 LDB: ============= START OF LOAD BALANCING ============== 9736.74 LDB: ============== END OF LOAD BALANCING =============== 9736.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9736.74 LDB: ============= START OF LOAD BALANCING ============== 9737.04 LDB: Largest compute 4772 load 0.025287 is 21.4% of average load 0.118265 LDB: Average compute 0.001718 is 1.5% of average load 0.118265 LDB: TIME 9737.04 LOAD: AVG 0.118265 MAX 0.195145 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.914 MB LDB: TIME 9737.04 LOAD: AVG 0.118265 MAX 0.195145 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.113 MB LDB: TIME 9737.04 LOAD: AVG 0.118265 MAX 0.195145 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.113 MB LDB: ============== END OF LOAD BALANCING =============== 9737.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9737.05 PRESSURE: 3268400 -68.2277 -24.6914 -24.0849 -24.6913 84.2492 10.1908 -24.0844 10.1907 -52.0779 GPRESSURE: 3268400 -46.9597 -40.9761 -52.8316 -41.2384 128.553 48.6228 -95.8692 9.90323 -27.6322 PRESSAVG: 3268400 67.6524 7.09409 11.9161 7.09408 -10.1462 -38.3281 11.9162 -38.3283 7.50309 GPRESSAVG: 3268400 68.0534 4.77061 10.0203 6.69858 -10.7435 -38.0901 12.91 -39.0121 7.47049 TIMING: 3268400 CPU: 9733.8, 0.0029851/step Wall: 9733.8, 0.0029851/step, 1.43583 hours remaining, 206.093750 MB of memory in use. ENERGY: 3268400 768.1506 2070.5078 1946.7250 114.7539 -205848.2829 17652.0289 0.0000 0.0000 34219.6080 -149076.5087 298.8483 -183296.1166 -148981.7362 299.9129 -12.0188 17.9871 557015.6146 21.6698 21.5935 PRESSURE: 3268600 -220.108 62.5525 115.83 62.5529 -61.3701 -92.1078 115.831 -92.1079 -102.28 GPRESSURE: 3268600 -175.322 61.6575 97.9462 167.403 -41.6134 -91.0258 114.638 -129.463 -80.7398 PRESSAVG: 3268600 86.4098 -32.6902 -16.8141 -32.6902 -33.4262 -53.9406 -16.8142 -53.9406 -24.3293 GPRESSAVG: 3268600 86.8716 -31.0134 -13.7084 -31.1984 -33.9227 -53.1045 -20.0952 -52.4697 -24.2631 TIMING: 3268600 CPU: 9734.38, 0.00291867/step Wall: 9734.38, 0.00291867/step, 1.40372 hours remaining, 206.093750 MB of memory in use. ENERGY: 3268600 759.4312 2054.1185 1951.4118 102.8210 -205767.3412 17490.2445 0.0000 0.0000 34279.2513 -149130.0628 299.3692 -183409.3142 -149038.3586 299.9840 -127.9193 -99.2251 555920.6590 9.5514 9.5619 PRESSURE: 3268800 -113.62 90.2262 -70.1174 90.2265 -53.5464 33.7106 -70.1175 33.7109 -20.8172 GPRESSURE: 3268800 -95.9197 136.997 -120.28 49.3076 -32.6182 19.8815 -64.5094 86.596 33.5724 PRESSAVG: 3268800 38.2886 47.6382 54.5836 47.6382 -54.7764 -5.89533 54.5836 -5.89538 -4.46466 GPRESSAVG: 3268800 37.8084 47.9167 52.9054 44.5346 -52.6251 -6.69928 55.7252 -5.88764 -5.66352 TIMING: 3268800 CPU: 9734.96, 0.00291862/step Wall: 9734.96, 0.00291862/step, 1.40353 hours remaining, 206.093750 MB of memory in use. ENERGY: 3268800 772.5171 2091.9461 1956.2809 97.1701 -205682.9069 17453.5029 0.0000 0.0000 34391.6269 -148919.8628 300.3506 -183311.4898 -148819.1696 299.6823 -62.6612 -31.6552 557180.1676 -6.9841 -6.8267 PRESSURE: 3269000 323.794 -82.5559 210.872 -82.5561 -42.3421 -34.9495 210.873 -34.9502 122.765 GPRESSURE: 3269000 338.189 -43.8289 292.954 -100.674 -30.2748 -45.1784 179.683 -16.4443 194.521 PRESSAVG: 3269000 -22.7586 0.687564 49.3759 0.687538 16.3429 22.9772 49.3759 22.9773 0.632273 GPRESSAVG: 3269000 -21.9475 -0.449246 49.8492 0.765885 15.1026 20.3605 48.9322 24.0115 1.2524 TIMING: 3269000 CPU: 9735.55, 0.00292508/step Wall: 9735.55, 0.00292508/step, 1.40648 hours remaining, 206.093750 MB of memory in use. ENERGY: 3269000 754.5418 2094.9995 1957.4515 127.1139 -206210.3476 18043.1340 0.0000 0.0000 34393.8911 -148839.2158 300.3704 -183233.1069 -148743.5421 300.1782 134.7393 167.4786 557520.9062 -1.9278 -1.8642 PRESSURE: 3269200 -155.094 -57.0408 -60.0772 -57.0405 -224.302 -19.2178 -60.0775 -19.2172 -224.634 GPRESSURE: 3269200 -139.324 -10.6738 -44.625 -51.2947 -151.218 -31.6245 -18.7062 42.3346 -221.153 PRESSAVG: 3269200 45.6968 -6.42867 14.5671 -6.42873 43.5176 33.2075 14.5671 33.2074 -54.2559 GPRESSAVG: 3269200 44.8779 -6.4055 14.407 -5.87499 44.6718 32.5434 15.9496 33.6334 -54.5273 TIMING: 3269200 CPU: 9736.14, 0.00294178/step Wall: 9736.14, 0.00294178/step, 1.41434 hours remaining, 206.093750 MB of memory in use. ENERGY: 3269200 724.1140 2114.0296 1921.8411 116.5959 -205463.7198 17296.5847 0.0000 0.0000 34333.3104 -148957.2441 299.8413 -183290.5545 -148856.2686 299.9990 -201.3433 -170.5653 558728.1208 11.6528 11.6741 PRESSURE: 3269400 -190.762 214.407 311.68 214.406 -78.428 67.4174 311.68 67.4164 -228.409 GPRESSURE: 3269400 -220.968 176.222 393.872 256.571 -18.9336 36.6105 278.413 141.082 -159.14 PRESSAVG: 3269400 -34.8396 37.4027 41.1134 37.4026 20.551 -13.4788 41.1134 -13.4788 -10.049 GPRESSAVG: 3269400 -34.2409 38.2516 42.3232 36.317 19.9163 -11.4075 40.0329 -14.3333 -10.2214 TIMING: 3269400 CPU: 9736.72, 0.0029378/step Wall: 9736.72, 0.0029378/step, 1.41226 hours remaining, 206.093750 MB of memory in use. ENERGY: 3269400 743.0901 2091.0601 1936.8772 97.3188 -205730.2410 17522.5856 0.0000 0.0000 34356.0931 -148983.2161 300.0403 -183339.3093 -148885.9170 299.3249 -165.8661 -133.0139 558936.0356 -8.1125 -8.1820 PRESSURE: 3269600 136.994 162.628 29.7064 162.627 -116.06 -49.7865 29.7073 -49.7869 194.688 GPRESSURE: 3269600 211.554 160.704 48.3841 85.5471 -81.8452 -42.0315 -7.48662 -61.6591 162.871 PRESSAVG: 3269600 0.177849 70.1082 50.9735 70.1082 -39.5079 11.0442 50.9735 11.0443 29.45 GPRESSAVG: 3269600 0.775188 70.7683 48.9101 71.6501 -39.1595 12.9806 52.3236 10.6458 28.0918 TIMING: 3269600 CPU: 9737.32, 0.00295871/step Wall: 9737.32, 0.00295871/step, 1.42215 hours remaining, 206.093750 MB of memory in use. ENERGY: 3269600 782.6996 2036.2741 1945.3827 100.3734 -206103.9754 17849.9826 0.0000 0.0000 34278.9023 -149110.3607 299.3662 -183389.2629 -149012.1535 299.6736 71.8740 97.5267 557111.6992 -3.2933 -3.4308 PRESSURE: 3269800 -66.493 -126.505 -119.008 -126.507 -162.228 149.543 -119.009 149.544 251.334 GPRESSURE: 3269800 -30.1644 -2.27775 -133.722 -238.151 -128.613 136.286 -74.1745 72.4835 283.119 PRESSAVG: 3269800 -62.1807 -3.23694 67.5567 -3.23696 -23.3606 -7.47624 67.5567 -7.47626 98.4393 GPRESSAVG: 3269800 -63.3451 -3.53544 70.8176 -4.17799 -23.2715 -8.91351 65.822 -8.07607 100.168 TIMING: 3269800 CPU: 9737.91, 0.00297784/step Wall: 9737.91, 0.00297784/step, 1.43118 hours remaining, 206.093750 MB of memory in use. ENERGY: 3269800 721.9402 2059.4506 1924.6315 113.0669 -206220.5823 17844.6184 0.0000 0.0000 34341.8994 -149214.9754 299.9163 -183556.8748 -149115.5343 298.7901 7.5375 41.4473 558657.6401 4.2993 4.5173 PRESSURE: 3270000 25.2724 58.2549 4.05451 58.2549 -52.7393 236.203 4.05433 236.203 -97.4134 GPRESSURE: 3270000 36.2774 40.0198 -76.757 8.63262 -39.3908 177.629 13.1261 180.402 -41.2083 PRESSAVG: 3270000 -55.9712 8.30732 32.491 8.30732 -22.367 45.0392 32.491 45.0392 65.9161 GPRESSAVG: 3270000 -55.0098 8.36704 30.4466 7.78621 -22.7803 43.0876 32.6326 45.0953 65.3234 TIMING: 3270000 CPU: 9738.5, 0.00294121/step Wall: 9738.5, 0.00294121/step, 1.41341 hours remaining, 206.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3270000 769.9863 2052.3525 1921.5309 115.1414 -205797.9658 17551.9261 0.0000 0.0000 34197.3340 -149189.6947 298.6538 -183387.0287 -149090.1870 299.2749 -41.6268 -14.7739 559551.2521 -4.1407 -4.1556 PRESSURE: 3270200 279.483 -41.6187 -54.179 -41.6193 -38.4638 62.5692 -54.1788 62.5683 155.706 GPRESSURE: 3270200 268.778 36.7472 -115.375 -74.3531 20.1776 50.8422 -53.9986 112.743 217.216 PRESSAVG: 3270200 64.6511 -17.7452 -28.9451 -17.7451 -28.1136 24.0954 -28.945 24.0955 -32.8125 GPRESSAVG: 3270200 64.5718 -18.0217 -28.2895 -15.9959 -28.3549 25.4976 -29.7454 24.0086 -32.3674 TIMING: 3270200 CPU: 9739.09, 0.00295527/step Wall: 9739.09, 0.00295527/step, 1.42001 hours remaining, 206.093750 MB of memory in use. ENERGY: 3270200 739.2554 2116.7643 1923.9385 119.6076 -206601.0255 18200.0291 0.0000 0.0000 34216.5172 -149284.9134 298.8214 -183501.4306 -149191.4673 299.2457 132.2418 168.7239 557978.5926 1.2417 1.2832 PRESSURE: 3270400 -209.801 -14.1181 -91.2235 -14.1177 -102.401 128.577 -91.2236 128.578 -238.058 GPRESSURE: 3270400 -222.149 -97.592 -95.2046 -55.2687 -43.9239 177.376 -140.726 51.2938 -184.004 PRESSAVG: 3270400 36.8874 26.8621 -10.6868 26.8621 -78.9369 20.4382 -10.6869 20.4383 6.77346 GPRESSAVG: 3270400 36.7781 27.8404 -11.4088 24.9876 -79.0083 20.8611 -8.55617 20.8556 7.02971 TIMING: 3270400 CPU: 9739.68, 0.00295756/step Wall: 9739.68, 0.00295756/step, 1.42094 hours remaining, 206.093750 MB of memory in use. ENERGY: 3270400 730.7689 2086.5402 1909.8892 103.0056 -205829.1093 17471.9543 0.0000 0.0000 34267.3320 -149259.6191 299.2651 -183526.9511 -149162.0382 298.6523 -183.4197 -150.0256 559479.3450 -11.7587 -11.7335 PRESSURE: 3270600 255.342 -31.6803 -31.1274 -31.6828 159.841 102.91 -31.126 102.91 -218.827 GPRESSURE: 3270600 295.937 -48.6692 52.8429 16.5511 239.253 158.908 5.7109 73.9447 -252.146 PRESSAVG: 3270600 -60.1509 4.77638 -26.4554 4.7764 69.2777 19.7947 -26.4553 19.7947 1.86872 GPRESSAVG: 3270600 -59.1672 5.05513 -25.4691 5.55643 67.9031 19.9062 -28.3476 19.4977 2.00003 TIMING: 3270600 CPU: 9740.27, 0.00293908/step Wall: 9740.27, 0.00293908/step, 1.4119 hours remaining, 206.093750 MB of memory in use. ENERGY: 3270600 734.5347 2102.6597 1926.2658 108.0099 -206080.1385 17772.9305 0.0000 0.0000 34156.8746 -149278.8633 298.3005 -183435.7379 -149182.8997 298.5991 65.4520 94.3482 556683.0402 3.6652 3.5787 PRESSURE: 3270800 -102.163 -157.081 52.8465 -157.082 -361.149 20.2777 52.848 20.2797 -590.437 GPRESSURE: 3270800 -160.47 -90.2061 41.1423 -209.746 -241.586 -5.7118 60.5394 58.3666 -567.989 PRESSAVG: 3270800 70.4789 -3.3794 -28.3878 -3.37946 -32.4159 11.8429 -28.3879 11.843 -26.1296 GPRESSAVG: 3270800 69.1149 -4.70068 -28.6292 -3.09156 -32.2256 11.2549 -27.1878 11.0915 -24.6193 TIMING: 3270800 CPU: 9740.86, 0.00295709/step Wall: 9740.86, 0.00295709/step, 1.42039 hours remaining, 206.093750 MB of memory in use. ENERGY: 3270800 744.5546 2109.9788 1887.8614 111.7213 -205766.2411 17342.3925 0.0000 0.0000 34331.5476 -149238.1850 299.8259 -183569.7325 -149140.5632 298.7095 -351.2495 -323.3482 558385.7750 3.9778 4.0900 PRESSURE: 3271000 89.5195 28.3262 196.719 28.3257 -127.421 77.3501 196.718 77.3497 -17.8166 GPRESSURE: 3271000 114.378 27.0582 98.2875 19.2888 -119.022 102.53 209.473 168.817 37.8104 PRESSAVG: 3271000 28.6157 72.6749 8.02349 72.6748 -7.84581 -1.69699 8.02355 -1.6969 -27.2426 GPRESSAVG: 3271000 28.3466 73.8058 8.56046 70.4849 -6.34577 -3.6929 6.50568 0.187071 -28.1301 TIMING: 3271000 CPU: 9741.45, 0.00295252/step Wall: 9741.45, 0.00295252/step, 1.41803 hours remaining, 206.093750 MB of memory in use. ENERGY: 3271000 737.1262 2073.9450 1945.0555 114.0638 -206717.9572 17786.7458 0.0000 0.0000 34470.0001 -149591.0208 301.0351 -184061.0210 -149497.0089 299.5937 -18.5726 11.0555 555343.3818 -2.1576 -2.0431 PRESSURE: 3271200 120.084 -6.0673 76.7215 -6.06758 -261.979 -266.903 76.7215 -266.904 111.853 GPRESSURE: 3271200 122.755 -3.35721 59.5392 -65.302 -205.631 -283.041 -16.3301 -146.806 141.816 PRESSAVG: 3271200 1.08383 20.9028 28.8155 20.9029 -77.4836 -17.0937 28.8155 -17.0937 66.1903 GPRESSAVG: 3271200 1.67889 20.1981 27.2291 23.7119 -78.7039 -14.492 29.9018 -17.9284 67.273 TIMING: 3271200 CPU: 9742.04, 0.00294624/step Wall: 9742.04, 0.00294624/step, 1.41485 hours remaining, 206.093750 MB of memory in use. ENERGY: 3271200 756.0808 2039.1945 1952.1479 129.2071 -206589.1286 17866.5394 0.0000 0.0000 34070.1937 -149775.7653 297.5435 -183845.9589 -149681.4225 298.7798 -10.0141 19.6466 556439.9690 -3.4031 -3.2507 PRESSURE: 3271400 -40.3936 163.912 -1.97442 163.912 -15.2523 11.0391 -1.97392 11.0385 131.431 GPRESSURE: 3271400 -6.24747 251.945 -33.4587 169.806 10.8322 127.223 -8.10228 -115.264 162.001 PRESSAVG: 3271400 -14.2913 14.5862 9.60769 14.5861 -54.6919 2.87357 9.60777 2.87354 84.7954 GPRESSAVG: 3271400 -14.3041 16.1927 9.2248 13.974 -54.5055 2.91786 10.9589 3.20054 84.508 TIMING: 3271400 CPU: 9742.63, 0.00293065/step Wall: 9742.63, 0.00293065/step, 1.4072 hours remaining, 206.093750 MB of memory in use. ENERGY: 3271400 722.6299 2101.7404 1915.1878 103.3660 -206611.9024 17760.4022 0.0000 0.0000 34215.4280 -149793.1480 298.8118 -184008.5760 -149695.0270 298.0775 25.2616 55.5287 555273.8835 5.2708 5.2328 PRESSURE: 3271600 249.709 28.2559 6.00265 28.255 -291.113 -208.741 6.00368 -208.741 -103.112 GPRESSURE: 3271600 282.924 -4.2633 -59.5459 39.8589 -233.6 -179.639 -22.0611 -308.768 -88.6221 PRESSAVG: 3271600 -20.0331 -43.0307 -38.6953 -43.0307 -68.6456 -6.10147 -38.6953 -6.10153 87.1864 GPRESSAVG: 3271600 -19.6423 -45.4488 -36.6906 -42.5854 -67.6777 -7.39182 -39.6201 -7.45205 85.6937 TIMING: 3271600 CPU: 9743.22, 0.00296204/step Wall: 9743.22, 0.00296204/step, 1.42211 hours remaining, 206.093750 MB of memory in use. ENERGY: 3271600 787.6798 2051.3260 1944.0798 107.7266 -206284.8630 17748.3387 0.0000 0.0000 33924.8745 -149720.8376 296.2744 -183645.7121 -149623.1269 298.0045 -48.1719 -13.0993 555544.6510 -0.4975 -0.5421 PRESSURE: 3271800 179.075 -96.1852 -76.8721 -96.1848 37.7177 -46.1276 -76.8724 -46.1285 -33.8445 GPRESSURE: 3271800 168.329 -48.6561 -95.2682 -75.6746 143.537 3.98318 -4.85823 -133.058 -39.4002 PRESSAVG: 3271800 -14.093 -43.0803 64.3557 -43.0803 -34.1341 -51.2604 64.3557 -51.2604 36.9484 GPRESSAVG: 3271800 -15.01 -41.4403 60.9404 -42.6076 -34.0649 -49.5776 65.3246 -49.3554 37.8608 TIMING: 3271800 CPU: 9743.81, 0.00294025/step Wall: 9743.81, 0.00294025/step, 1.41148 hours remaining, 206.093750 MB of memory in use. ENERGY: 3271800 769.0979 2070.5389 1902.4910 105.5085 -206432.8031 17944.3283 0.0000 0.0000 34104.9417 -149535.8968 297.8469 -183640.8385 -149443.9773 298.4183 60.9826 90.8219 556430.6954 -3.7596 -3.7380 PRESSURE: 3272000 24.6696 60.3862 -70.5551 60.3868 217.291 -6.89413 -70.553 -6.89545 127.747 GPRESSURE: 3272000 -2.37043 107.794 -28.0801 12.2557 272.849 43.2889 -144.185 25.846 188.013 PRESSAVG: 3272000 16.7194 -12.3212 31.5242 -12.3213 21.8916 -0.44906 31.5243 -0.448988 -33.1364 GPRESSAVG: 3272000 17.5066 -13.4602 34.0767 -12.9914 19.7676 -0.216188 30.0623 -2.76685 -31.9982 TIMING: 3272000 CPU: 9744.4, 0.00293558/step Wall: 9744.4, 0.00293558/step, 1.40908 hours remaining, 206.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3272000 728.0822 2124.3350 1917.0160 110.4875 -206608.7442 17937.5769 0.0000 0.0000 34386.3341 -149404.9124 300.3044 -183791.2466 -149307.5001 298.6643 123.2358 152.8304 556996.9480 1.8249 1.7586 PRESSURE: 3272200 -259.908 -144.333 140.682 -144.333 -263.797 -41.6525 140.682 -41.6531 -302.291 GPRESSURE: 3272200 -202.414 -244.32 104.301 -141.172 -231.443 -8.53361 149.028 -84.6654 -301.49 PRESSAVG: 3272200 -24.2499 2.15722 3.00561 2.15738 -13.2356 -11.7369 3.00553 -11.7367 38.5448 GPRESSAVG: 3272200 -24.8496 0.591327 3.40468 3.9047 -11.7954 -15.867 2.03587 -8.21017 38.2041 TIMING: 3272200 CPU: 9744.98, 0.00293051/step Wall: 9744.98, 0.00293051/step, 1.40648 hours remaining, 206.093750 MB of memory in use. ENERGY: 3272200 764.2969 2078.6184 1923.8653 109.8380 -205871.2266 17467.1156 0.0000 0.0000 34061.4057 -149466.0867 297.4667 -183527.4924 -149374.1904 298.8052 -275.3321 -245.1157 558404.9245 0.3531 0.5197 LDB: ============= START OF LOAD BALANCING ============== 9748.53 LDB: ============== END OF LOAD BALANCING =============== 9748.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9748.53 LDB: ============= START OF LOAD BALANCING ============== 9748.82 LDB: Largest compute 4772 load 0.027401 is 23.2% of average load 0.118193 LDB: Average compute 0.001727 is 1.5% of average load 0.118193 LDB: TIME 9748.82 LOAD: AVG 0.118193 MAX 0.196761 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.887 MB LDB: TIME 9748.82 LOAD: AVG 0.118193 MAX 0.196761 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.086 MB LDB: TIME 9748.82 LOAD: AVG 0.118193 MAX 0.196761 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.086 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9748.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9748.83 PRESSURE: 3272400 258.477 117.073 -43.2864 117.072 -146.767 -86.1592 -43.2855 -86.1609 14.1181 GPRESSURE: 3272400 306.556 103.998 -62.2365 47.2802 -133.95 -57.7711 -2.67297 -70.8386 38.0072 PRESSAVG: 3272400 40.7798 -50.4347 32.5552 -50.4347 -19.0468 -2.85509 32.5552 -2.85498 -40.3046 GPRESSAVG: 3272400 41.0661 -48.3765 28.9188 -53.3519 -18.5621 1.98567 34.814 -6.87739 -41.0209 TIMING: 3272400 CPU: 9745.58, 0.00298611/step Wall: 9745.58, 0.00298611/step, 1.433 hours remaining, 207.378906 MB of memory in use. ENERGY: 3272400 736.4487 2032.7712 1923.5576 108.0097 -206128.8911 17879.7394 0.0000 0.0000 34192.1984 -149256.1661 298.6090 -183448.3645 -149150.3981 297.8713 41.9427 70.2044 556308.2343 -6.1905 -6.1723 PRESSURE: 3272600 153.874 -40.5771 97.3106 -40.5765 -104.991 -4.54178 97.3091 -4.54259 -14.16 GPRESSURE: 3272600 108.534 -50.468 103.806 -28.3157 -41.1365 -22.3146 37.7917 21.8153 57.5692 PRESSAVG: 3272600 19.7344 45.6671 26.7891 45.6671 -44.145 -38.3687 26.7891 -38.3687 31.3626 GPRESSAVG: 3272600 20.083 44.1403 28.2417 47.5124 -44.4203 -40.5396 26.3668 -37.9446 31.1791 TIMING: 3272600 CPU: 9746.16, 0.00292746/step Wall: 9746.16, 0.00292746/step, 1.40469 hours remaining, 207.378906 MB of memory in use. ENERGY: 3272600 761.7647 2095.1973 1911.5226 106.8671 -206306.8825 17891.1929 0.0000 0.0000 34310.7919 -149229.5461 299.6447 -183540.3380 -149139.1479 299.1027 11.5745 41.6556 557010.9485 2.3173 2.2806 PRESSURE: 3272800 -231.341 112.383 38.1936 112.382 -222.844 177.559 38.1937 177.559 -114.559 GPRESSURE: 3272800 -155.301 118.285 158.708 9.1388 -214.367 159.744 12.3908 195.662 -103.842 PRESSAVG: 3272800 -15.8794 22.24 46.9052 22.2399 -16.8566 28.385 46.9052 28.3851 12.4915 GPRESSAVG: 3272800 -16.0743 22.9437 49.0854 22.8328 -16.0424 28.2547 46.2246 30.4866 12.2276 TIMING: 3272800 CPU: 9746.75, 0.00293444/step Wall: 9746.75, 0.00293444/step, 1.40788 hours remaining, 207.378906 MB of memory in use. ENERGY: 3272800 723.9438 2097.1547 1931.6240 100.3769 -205719.4746 17379.5280 0.0000 0.0000 34279.4199 -149207.4274 299.3707 -183486.8473 -149109.1375 299.5589 -189.5815 -157.8365 559240.3522 -6.7482 -6.6297 PRESSURE: 3273000 -113.778 -69.7037 -13.1812 -69.7042 -11.2894 -109.472 -13.1811 -109.474 -23.773 GPRESSURE: 3273000 -69.8564 -49.1098 40.9302 -23.2604 -12.508 -78.1307 -69.7265 -40.7721 25.2903 PRESSAVG: 3273000 1.34072 -40.9895 24.535 -40.9895 2.93089 16.8469 24.535 16.8468 -30.7173 GPRESSAVG: 3273000 2.2174 -40.5455 22.5111 -42.3648 1.43656 20.8781 26.0068 15.2727 -30.0666 TIMING: 3273000 CPU: 9747.34, 0.00293664/step Wall: 9747.34, 0.00293664/step, 1.40877 hours remaining, 207.378906 MB of memory in use. ENERGY: 3273000 737.6326 2124.1704 1903.5553 123.6835 -206142.4008 17755.9160 0.0000 0.0000 34175.1111 -149322.3320 298.4597 -183497.4431 -149230.2530 298.9718 -49.6133 -19.0247 556956.7571 -8.8152 -8.8042 PRESSURE: 3273200 57.6812 4.00094 -79.9683 4.00143 24.8723 -9.98697 -79.9693 -9.98652 0.718529 GPRESSURE: 3273200 95.2822 86.6977 -7.78782 0.805243 1.17098 28.7668 -101.308 -9.87514 103.957 PRESSAVG: 3273200 13.8234 -2.38628 8.58587 -2.38634 2.91097 -56.2404 8.58594 -56.2403 2.81027 GPRESSAVG: 3273200 13.8056 -1.34039 9.72296 -1.70753 3.4211 -58.9693 8.42262 -57.3318 1.97291 TIMING: 3273200 CPU: 9747.93, 0.00294447/step Wall: 9747.93, 0.00294447/step, 1.41236 hours remaining, 207.378906 MB of memory in use. ENERGY: 3273200 753.1832 2149.1307 1914.8225 118.7151 -206488.3009 17910.6341 0.0000 0.0000 34293.4304 -149348.3849 299.4931 -183641.8153 -149249.0980 299.1312 27.7573 66.8035 557453.8286 6.5149 6.3999 PRESSURE: 3273400 -320.418 -104.576 43.2019 -104.578 -146.166 -6.85665 43.2025 -6.85626 -71.4121 GPRESSURE: 3273400 -244.428 -98.3848 -14.6421 -95.0654 -144.468 -36.1643 121.04 58.174 -40.3342 PRESSAVG: 3273400 -23.9939 -22.4128 -20.3968 -22.4128 1.42489 20.2533 -20.3968 20.2533 6.5688 GPRESSAVG: 3273400 -23.649 -24.7339 -19.7906 -21.5864 -0.0595874 18.1393 -21.4749 21.3403 7.56772 TIMING: 3273400 CPU: 9748.52, 0.00294182/step Wall: 9748.52, 0.00294182/step, 1.41093 hours remaining, 207.378906 MB of memory in use. ENERGY: 3273400 752.6059 2083.7153 1897.9348 108.8363 -205912.0209 17622.9762 0.0000 0.0000 34112.3663 -149333.5861 297.9118 -183445.9524 -149237.5925 298.7619 -179.3320 -143.0766 558766.0633 -5.3334 -5.3803 PRESSURE: 3273600 -110.633 53.5728 -105.688 53.5723 155.492 47.1562 -105.688 47.1575 298.89 GPRESSURE: 3273600 -102.275 31.3825 -93.2098 148.58 208.164 45.6406 -178.05 138.759 336.867 PRESSAVG: 3273600 -16.2882 -6.38559 -53.6888 -6.38557 -19.3482 -39.0844 -53.6888 -39.0844 49.7128 GPRESSAVG: 3273600 -17.2923 -5.41245 -51.6069 -6.65774 -17.7931 -38.4446 -54.6116 -38.9212 48.7169 TIMING: 3273600 CPU: 9749.11, 0.00297288/step Wall: 9749.11, 0.00297288/step, 1.42566 hours remaining, 207.378906 MB of memory in use. ENERGY: 3273600 738.0381 2055.8532 1930.7136 105.8761 -206522.1452 18016.2070 0.0000 0.0000 34214.3709 -149461.0862 298.8026 -183675.4571 -149373.4989 299.0553 114.5832 147.5855 557306.2493 4.6921 4.5439 PRESSURE: 3273800 113.935 -185.873 -112.301 -185.874 -17.7626 -94.1712 -112.3 -94.1699 9.40469 GPRESSURE: 3273800 162.845 -170.427 -125.528 -223.719 19.3875 -194.928 -159.696 -56.2555 25.915 PRESSAVG: 3273800 -57.6574 -16.2697 5.659 -16.2697 -57.4633 39.576 5.65898 39.576 74.2906 GPRESSAVG: 3273800 -57.3129 -15.2103 4.22948 -17.4621 -57.0169 41.7278 6.08868 37.9745 74.0964 TIMING: 3273800 CPU: 9749.7, 0.0029554/step Wall: 9749.7, 0.0029554/step, 1.41712 hours remaining, 207.378906 MB of memory in use. ENERGY: 3273800 770.5640 2094.3213 1914.6040 108.1881 -206660.4375 18158.2804 0.0000 0.0000 34137.7750 -149476.7047 298.1337 -183614.4796 -149388.6540 298.1602 35.1923 69.3825 557989.1342 -13.6100 -13.4111 PRESSURE: 3274000 210.968 10.9087 -32.7113 10.9077 415.047 -94.2322 -32.7109 -94.2329 131.058 GPRESSURE: 3274000 283.932 81.1455 -51.3717 -64.5819 413.591 -35.2442 73.7121 -157.286 160.442 PRESSAVG: 3274000 -8.02535 17.5272 -50.5472 17.5272 1.17833 -6.83256 -50.5473 -6.83254 23.6742 GPRESSAVG: 3274000 -6.28614 19.1889 -51.3233 16.4886 -0.709362 -7.59991 -48.0647 -6.61156 23.1641 TIMING: 3274000 CPU: 9750.3, 0.00300052/step Wall: 9750.3, 0.00300052/step, 1.43858 hours remaining, 207.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3274000 747.2687 2097.1887 1904.1184 108.2069 -207090.0203 18391.8974 0.0000 0.0000 34249.1037 -149592.2364 299.1059 -183841.3402 -149506.4509 298.1214 252.3577 285.9885 557291.7621 5.6091 5.3895 PRESSURE: 3274200 231.802 59.33 59.1608 59.3294 60.3432 -76.2933 59.1611 -76.2931 173.698 GPRESSURE: 3274200 204.644 4.06218 119.44 152.365 179.406 -17.4526 1.62168 -96.6265 181.906 PRESSAVG: 3274200 6.75522 10.8919 28.5978 10.8918 -33.2785 -12.5541 28.5977 -12.554 37.115 GPRESSAVG: 3274200 4.06643 9.74733 29.9257 11.6847 -31.5418 -12.4077 26.7594 -11.3144 38.3166 TIMING: 3274200 CPU: 9750.9, 0.00297366/step Wall: 9750.9, 0.00297366/step, 1.42554 hours remaining, 207.378906 MB of memory in use. ENERGY: 3274200 706.0332 2078.7601 1941.8795 110.2967 -206580.6264 18078.9908 0.0000 0.0000 33968.6513 -149696.0149 296.6567 -183664.6662 -149597.2060 297.4767 155.2811 188.6524 556751.4023 3.5305 3.6137 PRESSURE: 3274400 18.9767 -217.759 -52.0744 -217.759 -62.319 -255.008 -52.0735 -255.008 410.881 GPRESSURE: 3274400 -1.61405 -233.611 -65.0923 -179.029 34.5773 -328.434 -87.7061 -150.542 436.896 PRESSAVG: 3274400 48.1762 -27.1554 -1.37457 -27.1554 -50.1904 -26.1168 -1.37462 -26.1168 34.6203 GPRESSAVG: 3274400 48.5468 -26.7503 -3.79081 -26.9426 -50.8543 -26.9727 0.792367 -26.4775 34.8407 TIMING: 3274400 CPU: 9751.49, 0.00296236/step Wall: 9751.49, 0.00296236/step, 1.41996 hours remaining, 207.417969 MB of memory in use. ENERGY: 3274400 725.4418 2134.0494 1939.1544 108.6881 -206860.5334 18005.5277 0.0000 0.0000 34165.9979 -149781.6742 298.3802 -183947.6721 -149687.2095 297.8616 122.5130 156.6199 556845.4509 10.8687 10.8444 PRESSURE: 3274600 143.149 -4.8513 112.507 -4.85223 154.424 124.01 112.506 124.008 212.997 GPRESSURE: 3274600 160.982 35.1947 107.539 75.5631 187.068 118.316 152.695 72.4315 254.778 PRESSAVG: 3274600 55.8996 8.75902 -37.2007 8.75912 -92.7157 3.48762 -37.2007 3.48769 46.6784 GPRESSAVG: 3274600 55.6821 10.7142 -36.2453 8.21455 -91.3891 4.17716 -38.6704 3.62282 46.2329 TIMING: 3274600 CPU: 9752.08, 0.00296627/step Wall: 9752.08, 0.00296627/step, 1.42167 hours remaining, 207.417969 MB of memory in use. ENERGY: 3274600 736.5350 2117.5601 1939.3175 111.7659 -206975.2450 18083.2089 0.0000 0.0000 34246.4170 -149740.4406 299.0825 -183986.8575 -149647.3939 298.0408 170.1901 200.9428 554961.7506 3.2875 3.5086 PRESSURE: 3274800 -20.5548 -43.5304 113.788 -43.5315 -400.798 -6.45206 113.787 -6.45228 -35.7019 GPRESSURE: 3274800 45.068 -4.13752 6.46367 -8.41605 -375.511 -21.2136 158.17 71.6261 -19.5515 PRESSAVG: 3274800 -11.9644 56.8453 88.6431 56.8454 -84.9627 14.5306 88.6431 14.5306 102.209 GPRESSAVG: 3274800 -11.5691 54.2526 86.5917 57.4775 -85.7872 12.9028 89.3606 15.7871 102.715 TIMING: 3274800 CPU: 9752.67, 0.0029524/step Wall: 9752.67, 0.0029524/step, 1.41486 hours remaining, 207.417969 MB of memory in use. ENERGY: 3274800 775.5038 2076.8363 1907.9213 115.6404 -206646.8512 17808.3497 0.0000 0.0000 34300.8875 -149661.7123 299.5582 -183962.5997 -149573.9838 297.9712 -152.3514 -116.6650 556361.2844 1.7606 1.7864 PRESSURE: 3275000 -39.3731 -44.3625 -15.8821 -44.3631 111.925 -39.3595 -15.8811 -39.3599 -153.563 GPRESSURE: 3275000 -40.6312 2.26019 -48.5573 -139.108 120.777 -92.0092 -16.1271 119.776 -70.3332 PRESSAVG: 3275000 -72.8181 -51.237 8.00955 -51.2371 25.5413 25.9593 8.00957 25.9593 20.5454 GPRESSAVG: 3275000 -72.4274 -51.2215 8.72008 -50.7105 25.5333 28.11 9.3024 26.0832 20.0045 TIMING: 3275000 CPU: 9753.26, 0.00294169/step Wall: 9753.26, 0.00294169/step, 1.40956 hours remaining, 207.417969 MB of memory in use. ENERGY: 3275000 724.5123 2074.4314 1934.2806 124.9396 -206233.3286 17578.3477 0.0000 0.0000 34212.5736 -149584.2434 298.7869 -183796.8170 -149488.2362 297.8482 -27.0038 3.2710 557648.1207 -8.9104 -8.9632 PRESSURE: 3275200 -259.245 106.161 -163.015 106.161 -191.446 -3.05154 -163.015 -3.05158 61.618 GPRESSURE: 3275200 -209.116 86.3557 -210.392 147.484 -199.454 -30.3355 -113.542 20.6615 116.994 PRESSAVG: 3275200 -59.3784 -4.43069 -91.2251 -4.4307 43.9188 35.6499 -91.2251 35.6498 -23.0462 GPRESSAVG: 3275200 -59.5877 -4.30939 -89.7333 -6.13868 42.9522 34.2138 -92.814 33.4735 -21.8271 TIMING: 3275200 CPU: 9753.85, 0.00294823/step Wall: 9753.85, 0.00294823/step, 1.41253 hours remaining, 207.417969 MB of memory in use. ENERGY: 3275200 734.3244 2054.1137 1904.5538 111.2449 -206087.0526 17716.5446 0.0000 0.0000 34028.0577 -149538.2134 297.1755 -183566.2711 -149436.1086 298.1072 -129.6912 -97.1917 558336.8707 -12.8353 -12.8209 PRESSURE: 3275400 6.28603 49.7008 101.798 49.7016 87.0579 148.187 101.799 148.187 -1.52217 GPRESSURE: 3275400 -0.919256 66.8663 41.6051 7.19523 110.03 158.297 224.311 134.14 76.4635 PRESSAVG: 3275400 -13.6282 9.82305 -2.87638 9.82306 3.79034 69.5045 -2.8765 69.5045 34.6273 GPRESSAVG: 3275400 -12.5807 9.127 -2.88483 10.9949 3.08218 69.7521 -1.88651 69.4653 34.2538 TIMING: 3275400 CPU: 9754.44, 0.0029357/step Wall: 9754.44, 0.0029357/step, 1.40636 hours remaining, 207.417969 MB of memory in use. ENERGY: 3275400 751.8810 2074.1782 1948.6991 115.4650 -206666.2801 18021.8180 0.0000 0.0000 34199.1681 -149555.0708 298.6698 -183754.2389 -149458.9348 298.1704 30.6073 61.8581 557286.9796 8.2632 8.2518 PRESSURE: 3275600 -156.728 -16.7063 -148.282 -16.706 -127.095 38.3307 -148.281 38.3318 -141.065 GPRESSURE: 3275600 -95.961 -75.2143 -132.936 -20.3497 -98.9019 37.3043 -179.144 116.681 -120.138 PRESSAVG: 3275600 -3.55318 -51.9434 28.3538 -51.9435 48.9992 -7.81585 28.3539 -7.81582 -23.7487 GPRESSAVG: 3275600 -4.84051 -51.2627 27.3552 -53.8189 50.8199 -9.53014 27.071 -5.74979 -24.8394 TIMING: 3275600 CPU: 9755.03, 0.00294371/step Wall: 9755.03, 0.00294371/step, 1.41004 hours remaining, 207.417969 MB of memory in use. ENERGY: 3275600 741.8139 2065.0689 1922.6629 107.9352 -206324.3773 17724.3143 0.0000 0.0000 34132.7531 -149629.8290 298.0898 -183762.5821 -149525.0240 298.4054 -141.6296 -105.0003 558623.1651 7.2324 7.0467 PRESSURE: 3275800 -90.2781 7.03443 -12.2791 7.03229 -46.7759 -23.534 -12.2793 -23.5349 18.9602 GPRESSURE: 3275800 -20.3061 30.4886 -73.4935 -27.6699 -38.084 60.5043 19.888 -39.7841 31.7098 PRESSAVG: 3275800 20.7799 -11.7405 -25.0175 -11.7407 -30.5052 -19.8744 -25.0175 -19.8744 0.978654 GPRESSAVG: 3275800 19.7976 -11.5194 -24.5479 -9.62405 -30.8442 -18.9883 -26.1123 -22.0687 2.00464 TIMING: 3275800 CPU: 9755.62, 0.00295801/step Wall: 9755.62, 0.00295801/step, 1.41672 hours remaining, 207.417969 MB of memory in use. ENERGY: 3275800 741.9164 2073.9958 1923.2125 120.3449 -206274.4828 17857.9322 0.0000 0.0000 34041.1653 -149515.9157 297.2900 -183557.0810 -149420.5178 297.7897 -39.3646 -8.8934 558844.1874 -2.9156 -3.0140 PRESSURE: 3276000 -275.729 -153.476 -7.80363 -153.478 -149.924 7.02642 -7.80433 7.0263 -41.077 GPRESSURE: 3276000 -217.911 -66.1547 -39.9136 -125.454 -129.599 -49.3722 -37.7314 -68.2076 -29.3046 PRESSAVG: 3276000 49.9797 -24.3445 -69.8779 -24.3445 39.8556 -38.788 -69.8778 -38.788 -55.4367 GPRESSAVG: 3276000 51.3571 -23.7434 -69.5457 -23.734 39.5621 -38.0908 -67.0134 -38.5445 -56.5146 TIMING: 3276000 CPU: 9756.21, 0.00296928/step Wall: 9756.21, 0.00296928/step, 1.42196 hours remaining, 207.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3276000 712.9469 2146.5151 1922.3640 100.5013 -206178.1160 17733.4156 0.0000 0.0000 34081.6458 -149480.7274 297.6435 -183562.3732 -149389.6568 298.9011 -155.5766 -125.6049 558437.0573 11.4662 11.4682 PRESSURE: 3276200 -160.981 -96.4446 -31.9669 -96.4447 210.014 55.1781 -31.9689 55.1781 -123.932 GPRESSURE: 3276200 -130.959 -122.751 -21.5231 -43.9216 232.068 -55.7009 -16.1032 151.535 -63.5598 PRESSAVG: 3276200 24.472 -96.6423 -18.3764 -96.6422 53.0414 -30.6356 -18.3764 -30.6355 -37.2787 GPRESSAVG: 3276200 25.2005 -98.5065 -19.852 -96.4164 52.3476 -31.2084 -20.3921 -30.6013 -37.4533 TIMING: 3276200 CPU: 9756.8, 0.00295085/step Wall: 9756.8, 0.00295085/step, 1.41296 hours remaining, 207.417969 MB of memory in use. ENERGY: 3276200 717.1372 2084.4975 1935.1844 117.6390 -206442.0297 17944.2133 0.0000 0.0000 34278.5326 -149364.8257 299.3630 -183643.3583 -149268.9130 299.2003 -24.9666 12.5167 559724.9954 13.4116 13.3649 LDB: ============= START OF LOAD BALANCING ============== 9760.35 LDB: ============== END OF LOAD BALANCING =============== 9760.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9760.35 LDB: ============= START OF LOAD BALANCING ============== 9760.65 LDB: Largest compute 4772 load 0.027648 is 23.4% of average load 0.118233 LDB: Average compute 0.001729 is 1.5% of average load 0.118233 LDB: TIME 9760.65 LOAD: AVG 0.118233 MAX 0.195797 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.543 MB LDB: TIME 9760.65 LOAD: AVG 0.118233 MAX 0.195797 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: TIME 9760.65 LOAD: AVG 0.118233 MAX 0.195797 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: ============== END OF LOAD BALANCING =============== 9760.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9760.65 PRESSURE: 3276400 -272.36 -142.366 88.53 -142.368 -110.968 101.4 88.5299 101.401 -39.8131 GPRESSURE: 3276400 -217.397 -221.857 105.92 -100.695 -82.2455 125.929 99.9387 70.5442 -27.5709 PRESSAVG: 3276400 -53.4628 -34.3026 -2.2249 -34.3026 -16.5328 -20.4489 -2.22499 -20.449 16.6645 GPRESSAVG: 3276400 -53.8651 -34.0873 -1.68641 -34.7828 -17.2534 -19.4408 -0.823608 -19.9192 17.7091 TIMING: 3276400 CPU: 9757.4, 0.00301512/step Wall: 9757.4, 0.00301512/step, 1.44357 hours remaining, 207.621094 MB of memory in use. ENERGY: 3276400 753.0771 2087.8379 1907.3494 117.0377 -206185.1131 17615.6096 0.0000 0.0000 34103.5851 -149600.6164 297.8351 -183704.2014 -149505.4426 298.5666 -141.0470 -109.0711 558091.8458 -17.7770 -17.8031 PRESSURE: 3276600 -206.257 243.567 205.369 243.567 21.0992 84.2677 205.368 84.2673 102.701 GPRESSURE: 3276600 -153.766 307.023 199.181 202.174 14.5454 14.9212 183.229 69.7636 145.043 PRESSAVG: 3276600 -14.1746 19.9503 19.7548 19.9504 -18.1483 -3.95269 19.7549 -3.9527 20.5791 GPRESSAVG: 3276600 -14.87 21.0045 21.1468 19.6149 -17.204 -4.11817 18.9035 -4.88108 20.4243 TIMING: 3276600 CPU: 9757.99, 0.00293129/step Wall: 9757.99, 0.00293129/step, 1.40327 hours remaining, 207.824219 MB of memory in use. ENERGY: 3276600 718.4425 2133.6576 1914.9152 115.2193 -206475.7033 17822.1156 0.0000 0.0000 34215.8886 -149555.4645 298.8159 -183771.3531 -149457.9917 298.1844 -27.4856 1.9408 556689.9414 -3.9146 -3.8832 PRESSURE: 3276800 169.217 34.1031 26.2666 34.1031 77.5371 115.931 26.2669 115.932 -44.4987 GPRESSURE: 3276800 185.816 57.2526 -34.3131 24.4404 133.737 144.014 -29.3415 149.562 -32.5903 PRESSAVG: 3276800 -50.3848 23.4812 64.6193 23.4811 3.66788 63.005 64.6194 63.0051 32.7511 GPRESSAVG: 3276800 -50.0836 21.6163 64.1722 23.6162 3.80457 63.1245 66.0229 62.7089 31.7331 TIMING: 3276800 CPU: 9758.58, 0.00293886/step Wall: 9758.58, 0.00293886/step, 1.40673 hours remaining, 207.824219 MB of memory in use. ENERGY: 3276800 768.4265 2133.3742 1915.5975 118.0686 -206399.6156 17900.7975 0.0000 0.0000 34207.9356 -149355.4155 298.7464 -183563.3511 -149257.5494 298.9435 67.4184 95.6544 556044.5512 -4.6553 -4.8487 PRESSURE: 3277000 47.8864 175.971 -215.123 175.971 219.58 74.8588 -215.122 74.8603 -90.1422 GPRESSURE: 3277000 109.416 189.572 -266.354 174.993 198.735 69.1967 -210.751 94.1372 -38.5836 PRESSAVG: 3277000 47.2175 26.4807 -81.2956 26.4806 -9.09621 5.73945 -81.2957 5.7394 -21.7411 GPRESSAVG: 3277000 46.2834 25.7871 -81.6 26.8226 -8.7647 5.49208 -82.1057 9.28677 -20.5159 TIMING: 3277000 CPU: 9759.16, 0.00293018/step Wall: 9759.16, 0.00293018/step, 1.40242 hours remaining, 207.824219 MB of memory in use. ENERGY: 3277000 775.8260 2103.4973 1951.8408 115.2626 -206231.3117 17982.5611 0.0000 0.0000 34215.9614 -149086.3625 298.8165 -183302.3239 -148991.5485 300.4200 59.1081 89.8559 558332.4883 5.4601 5.6676 PRESSURE: 3277200 121.759 155.024 -66.0351 155.023 8.6603 -24.6795 -66.0347 -24.6798 33.5859 GPRESSURE: 3277200 188.044 205.824 -83.8911 106.865 38.4667 -3.76907 -41.7854 -43.3169 42.8573 PRESSAVG: 3277200 -29.8047 19.37 -18.0904 19.37 -1.88604 16.7055 -18.0903 16.7055 13.2874 GPRESSAVG: 3277200 -28.3476 20.6766 -18.8073 17.9961 -2.92291 17.3411 -18.7416 15.3059 13.5719 TIMING: 3277200 CPU: 9759.75, 0.00292592/step Wall: 9759.75, 0.00292592/step, 1.40022 hours remaining, 207.824219 MB of memory in use. ENERGY: 3277200 731.2439 2101.6213 1959.1984 117.9001 -205907.0977 17813.9626 0.0000 0.0000 34233.7438 -148949.4277 298.9718 -183183.1715 -148851.7721 299.3913 54.6685 89.7895 557152.3115 -6.1344 -5.8995 PRESSURE: 3277400 -113.271 -17.424 -128.542 -17.4242 -217.524 5.91402 -128.542 5.91241 11.1592 GPRESSURE: 3277400 -58.5926 59.9439 -107.167 -58.2104 -182.17 -4.84492 -93.7737 40.8253 17.9037 PRESSAVG: 3277400 60.3114 18.9532 -1.73556 18.9533 -13.8598 63.5784 -1.73563 63.5784 -34.5308 GPRESSAVG: 3277400 60.0483 18.137 -0.984079 18.8384 -14.0598 63.0343 0.354033 64.4827 -34.3027 TIMING: 3277400 CPU: 9760.34, 0.00294201/step Wall: 9760.34, 0.00294201/step, 1.40775 hours remaining, 207.824219 MB of memory in use. ENERGY: 3277400 738.9861 2145.4329 1952.7500 107.6918 -205995.6321 17644.2479 0.0000 0.0000 34486.7043 -148919.8191 301.1810 -183406.5234 -148826.9379 300.1863 -106.5454 -74.2863 556504.4201 3.9736 3.8952 PRESSURE: 3277600 125.583 -30.3947 -113.392 -30.3946 48.6382 83.4927 -113.391 83.4907 155.428 GPRESSURE: 3277600 130.37 -82.7632 -95.263 -41.9105 81.2254 70.2666 -127.317 51.6318 217.292 PRESSAVG: 3277600 -10.4711 -30.8733 -59.7507 -30.8733 13.4718 16.1423 -59.7507 16.1424 31.4936 GPRESSAVG: 3277600 -10.955 -29.356 -58.5565 -32.1058 14.281 14.3815 -63.8154 14.1479 31.4312 TIMING: 3277600 CPU: 9760.93, 0.00294107/step Wall: 9760.93, 0.00294107/step, 1.40714 hours remaining, 207.824219 MB of memory in use. ENERGY: 3277600 745.5675 2137.1698 1920.2451 111.6942 -206176.6331 18009.2530 0.0000 0.0000 34369.1510 -148883.5525 300.1543 -183252.7035 -148787.2001 299.8878 109.8830 142.9624 556845.5446 11.4981 11.5857 PRESSURE: 3277800 -5.91578 169.67 -92.1032 169.671 25.3308 -21.9414 -92.1033 -21.9417 112.538 GPRESSURE: 3277800 2.46132 160.599 -48.7681 196.39 77.1178 28.0285 -140.577 -91.1735 138.699 PRESSAVG: 3277800 23.8476 38.4681 26.6369 38.4681 -30.2689 27.9073 26.6369 27.9074 -16.229 GPRESSAVG: 3277800 23.5346 35.1242 25.5001 41.3393 -30.9926 28.9427 29.1704 29.503 -15.5691 TIMING: 3277800 CPU: 9761.51, 0.00293356/step Wall: 9761.51, 0.00293356/step, 1.40338 hours remaining, 207.824219 MB of memory in use. ENERGY: 3277800 705.7228 2171.3731 1924.5956 106.2408 -205829.2087 17696.3789 0.0000 0.0000 34429.4915 -148795.4059 300.6813 -183224.8974 -148697.9315 300.6654 43.9842 72.7594 557279.9707 -7.5501 -7.6757 PRESSURE: 3278000 164.61 -25.0556 134.121 -25.0555 35.5822 -121.502 134.121 -121.503 28.9857 GPRESSURE: 3278000 187.614 -112.961 105.504 2.44727 79.0479 -96.5988 111.029 -189.194 61.6229 PRESSAVG: 3278000 -15.7284 19.5136 -4.83528 19.5136 -8.25484 39.6228 -4.83519 39.6228 67.3493 GPRESSAVG: 3278000 -16.481 19.4063 -7.20526 19.1136 -7.23441 39.8399 -2.84356 38.8652 67.1128 TIMING: 3278000 CPU: 9762.1, 0.002938/step Wall: 9762.1, 0.002938/step, 1.40534 hours remaining, 207.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3278000 750.4956 2105.0982 1943.4506 112.2001 -205867.3747 17783.9702 0.0000 0.0000 34256.7257 -148915.4343 299.1725 -183172.1600 -148816.4923 300.6231 76.3926 109.4282 556734.6011 14.4553 14.4658 PRESSURE: 3278200 -54.7674 -27.8937 64.0092 -27.8932 -103.408 97.837 64.008 97.8376 121.533 GPRESSURE: 3278200 0.678939 -44.9203 32.8293 -12.355 -54.0677 117.658 62.9978 62.0077 106.567 PRESSAVG: 3278200 44.0379 4.95704 20.3089 4.95709 -62.5046 14.5219 20.3089 14.5219 13.9377 GPRESSAVG: 3278200 44.8906 8.57618 23.0058 3.15132 -63.7982 17.1646 17.9212 15.7859 14.4234 TIMING: 3278200 CPU: 9762.69, 0.00294598/step Wall: 9762.69, 0.00294598/step, 1.409 hours remaining, 207.824219 MB of memory in use. ENERGY: 3278200 747.5445 2181.0309 1914.5463 112.1287 -206240.9552 17987.2584 0.0000 0.0000 34181.3401 -149117.1063 298.5141 -183298.4464 -149023.5526 299.9803 -12.2143 17.7260 558272.1131 -1.5097 -1.4947 PRESSURE: 3278400 -96.7395 -139.927 -129.742 -139.928 -174.542 -8.78867 -129.742 -8.78846 -174.338 GPRESSURE: 3278400 -89.6618 -91.1831 -132.646 -76.9605 -162.631 -63.4714 -226.354 93.8842 -86.0772 PRESSAVG: 3278400 66.2068 52.3721 6.66526 52.3721 -105.363 -21.7558 6.66529 -21.7558 -8.15447 GPRESSAVG: 3278400 65.2492 53.0517 6.29874 54.1243 -104.418 -23.7733 7.22199 -23.5729 -7.83507 TIMING: 3278400 CPU: 9763.28, 0.00294287/step Wall: 9763.28, 0.00294287/step, 1.40735 hours remaining, 207.824219 MB of memory in use. ENERGY: 3278400 731.2818 2082.6803 1921.2346 113.9988 -205540.9151 17528.6635 0.0000 0.0000 34229.6655 -148933.3906 298.9362 -183163.0561 -148843.6701 300.4752 -148.5398 -112.7901 558540.6942 -15.7701 -15.6681 PRESSURE: 3278600 -143.627 109.635 -273.569 109.633 336.703 151.754 -273.569 151.753 -123.317 GPRESSURE: 3278600 -34.3802 59.8678 -297.867 174.241 288.103 253.587 -192.799 51.9925 -94.0985 PRESSAVG: 3278600 -22.3562 -24.182 -92.7662 -24.1819 51.1429 0.576662 -92.7663 0.576691 -41.2992 GPRESSAVG: 3278600 -21.4443 -26.4837 -91.596 -24.2268 50.7212 0.775824 -93.6306 2.30731 -42.4951 TIMING: 3278600 CPU: 9763.87, 0.00293878/step Wall: 9763.87, 0.00293878/step, 1.40523 hours remaining, 207.824219 MB of memory in use. ENERGY: 3278600 731.4404 2115.9977 1942.3058 112.6500 -205992.8483 17908.1564 0.0000 0.0000 34363.6932 -148818.6049 300.1067 -183182.2980 -148728.7492 300.0458 23.2531 53.2081 559178.1255 -4.1708 -4.4061 PRESSURE: 3278800 47.9282 16.9307 -117.117 16.9314 -168.961 -25.1514 -117.117 -25.1509 -76.5834 GPRESSURE: 3278800 43.89 18.0186 -165.662 -3.9933 -159.044 -47.2028 -170.977 -91.5228 27.8907 PRESSAVG: 3278800 45.8519 32.3836 17.8979 32.3837 -19.3198 -6.98154 17.898 -6.98141 5.39133 GPRESSAVG: 3278800 46.3623 32.4108 14.347 32.5223 -19.6865 -7.65843 21.235 -8.77551 5.55118 TIMING: 3278800 CPU: 9764.46, 0.00294808/step Wall: 9764.46, 0.00294808/step, 1.40951 hours remaining, 207.824219 MB of memory in use. ENERGY: 3278800 723.4342 2081.7889 1954.0736 109.9478 -205886.2649 17765.2425 0.0000 0.0000 34500.4077 -148751.3702 301.3006 -183251.7779 -148649.6363 300.6883 -65.8721 -29.0878 559008.5188 10.6411 10.7423 PRESSURE: 3279000 154.416 48.1558 86.4092 48.1557 -100.306 -176.177 86.4093 -176.178 -33.5009 GPRESSURE: 3279000 210.271 41.9117 56.4974 -6.71293 -34.3956 -46.9873 -5.37579 -157.815 -55.0246 PRESSAVG: 3279000 8.64656 -45.7609 15.5615 -45.7609 -30.3375 -15.7229 15.5614 -15.723 35.6307 GPRESSAVG: 3279000 8.43944 -47.1324 18.2673 -45.694 -29.1536 -15.3503 12.793 -14.1293 35.7064 TIMING: 3279000 CPU: 9765.05, 0.00297696/step Wall: 9765.05, 0.00297696/step, 1.42315 hours remaining, 207.824219 MB of memory in use. ENERGY: 3279000 732.9725 2083.8225 1947.4338 136.8876 -205852.0972 17746.9024 0.0000 0.0000 34478.6723 -148725.4061 301.1108 -183204.0784 -148633.5547 300.8084 6.8699 40.2835 557545.0680 4.6466 4.9974 PRESSURE: 3279200 -175.062 47.7064 68.5595 47.707 -98.8789 10.5196 68.5597 10.5207 65.526 GPRESSURE: 3279200 -131.311 16.4206 117.605 39.1671 -88.3423 -73.7735 44.912 60.5094 111.957 PRESSAVG: 3279200 32.6865 34.0594 13.2241 34.0594 -73.1964 -19.0431 13.2242 -19.0431 -23.6106 GPRESSAVG: 3279200 32.6428 35.519 12.0597 34.9392 -73.4401 -19.8022 13.0407 -20.6591 -23.1782 TIMING: 3279200 CPU: 9765.64, 0.0029415/step Wall: 9765.64, 0.0029415/step, 1.40604 hours remaining, 207.824219 MB of memory in use. ENERGY: 3279200 733.2776 2094.5419 1954.3281 107.6551 -205693.7605 17601.6521 0.0000 0.0000 34534.2846 -148668.0212 301.5965 -183202.3058 -148577.8913 301.1326 -69.4716 -35.8986 557850.7417 -21.3735 -21.3252 PRESSURE: 3279400 183.248 134.61 6.35016 134.61 15.6875 105.029 6.35051 105.03 88.9801 GPRESSURE: 3279400 180.972 155.401 12.7244 139.117 48.7473 232.785 36.7637 37.3295 143.288 PRESSAVG: 3279400 14.0906 9.23629 -25.1247 9.23623 -29.5795 18.9329 -25.1247 18.933 4.07475 GPRESSAVG: 3279400 12.5514 8.17792 -21.942 7.9715 -28.7836 21.2161 -25.348 18.1603 4.22371 TIMING: 3279400 CPU: 9766.23, 0.00296895/step Wall: 9766.23, 0.00296895/step, 1.41899 hours remaining, 207.824219 MB of memory in use. ENERGY: 3279400 771.7863 2115.3153 1925.6963 125.1294 -206004.0410 17839.9630 0.0000 0.0000 34309.4575 -148916.6932 299.6330 -183226.1507 -148824.7195 300.3402 95.9717 124.3358 557722.3079 -3.8047 -4.0028 PRESSURE: 3279600 -93.9141 -20.235 37.3776 -20.2344 6.47444 64.4944 37.3781 64.4958 200.181 GPRESSURE: 3279600 -58.2903 -31.9209 32.5679 12.0422 -25.487 10.6421 34.1354 129.384 294.984 PRESSAVG: 3279600 17.0405 -1.10019 12.4258 -1.10005 -47.8719 13.1517 12.4257 13.1519 46.2967 GPRESSAVG: 3279600 18.1631 -0.7446 11.4985 -0.446206 -49.99 11.3303 12.3983 14.6287 47.0376 TIMING: 3279600 CPU: 9766.83, 0.00296186/step Wall: 9766.83, 0.00296186/step, 1.41544 hours remaining, 207.824219 MB of memory in use. ENERGY: 3279600 758.4620 2050.7484 1926.1077 124.4566 -205769.6247 17655.1318 0.0000 0.0000 34244.2632 -149010.4551 299.0637 -183254.7183 -148917.8612 300.4751 37.5805 70.4022 557320.4122 5.1551 5.0702 PRESSURE: 3279800 -126.547 -120.549 -111.304 -120.547 -121.202 -164.84 -111.306 -164.839 47.9366 GPRESSURE: 3279800 -71.4502 -159.219 -76.1835 -86.1473 -111.08 -89.1651 -181.226 -171.181 91.9011 PRESSAVG: 3279800 -39.8737 6.42829 33.8356 6.42831 8.0389 -21.2389 33.8355 -21.239 29.2876 GPRESSAVG: 3279800 -40.0867 6.4486 34.1092 6.07691 9.32991 -21.0402 33.1468 -22.0353 28.3913 TIMING: 3279800 CPU: 9767.42, 0.00295387/step Wall: 9767.42, 0.00295387/step, 1.41146 hours remaining, 207.824219 MB of memory in use. ENERGY: 3279800 798.4401 2113.8217 1930.0878 119.6096 -205876.9374 17759.0284 0.0000 0.0000 34096.2401 -149059.7097 297.7709 -183155.9498 -148963.6134 299.9618 -66.6041 -30.2098 558676.5092 -0.8491 -0.7885 PRESSURE: 3280000 100.159 -0.825409 -127.899 -0.826509 -54.727 153.799 -127.9 153.798 -268.282 GPRESSURE: 3280000 91.316 -63.6423 -80.2922 -36.8444 -39.0625 102.852 -163.68 130.612 -181.088 PRESSAVG: 3280000 73.4621 -19.2764 5.35282 -19.2764 -16.8872 18.1528 5.35275 18.1528 -82.2439 GPRESSAVG: 3280000 73.2811 -20.5143 6.21651 -17.5407 -16.2371 18.4941 4.81954 17.9626 -82.377 TIMING: 3280000 CPU: 9768.01, 0.00295181/step Wall: 9768.01, 0.00295181/step, 1.41031 hours remaining, 207.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3280000 756.2617 2068.1297 1948.4214 111.3354 -205900.7640 17677.8371 0.0000 0.0000 34220.3484 -149118.4302 298.8548 -183338.7786 -149023.2756 299.9728 -74.2833 -42.9447 558352.7983 -8.5563 -8.4443 PRESSURE: 3280200 -218.953 64.5632 -94.4657 64.5621 52.4458 -5.72673 -94.4648 -5.72805 6.55806 GPRESSURE: 3280200 -116.225 78.9174 -72.3306 18.319 50.479 3.46318 46.0724 -16.2008 2.75252 PRESSAVG: 3280200 66.4086 13.3446 -14.7655 13.3446 -18.5853 30.1405 -14.7655 30.1406 21.7064 GPRESSAVG: 3280200 67.6962 14.8551 -16.4871 11.1872 -20.0011 29.8326 -10.7402 31.9791 22.2429 TIMING: 3280200 CPU: 9768.6, 0.0029454/step Wall: 9768.6, 0.0029454/step, 1.40708 hours remaining, 207.824219 MB of memory in use. ENERGY: 3280200 766.7271 2138.9804 1953.0823 102.7816 -206368.3685 17912.9150 0.0000 0.0000 34355.8151 -149138.0672 300.0379 -183493.8823 -149046.3378 300.4234 -53.3165 -20.9977 558195.6122 23.1766 23.3127 LDB: ============= START OF LOAD BALANCING ============== 9772.14 LDB: ============== END OF LOAD BALANCING =============== 9772.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9772.14 LDB: ============= START OF LOAD BALANCING ============== 9772.44 LDB: Largest compute 4772 load 0.027671 is 23.4% of average load 0.118209 LDB: Average compute 0.001729 is 1.5% of average load 0.118209 LDB: TIME 9772.44 LOAD: AVG 0.118209 MAX 0.19776 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.086 MB LDB: TIME 9772.44 LOAD: AVG 0.118209 MAX 0.19776 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.086 MB LDB: TIME 9772.44 LOAD: AVG 0.118209 MAX 0.19776 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.086 MB LDB: ============== END OF LOAD BALANCING =============== 9772.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 9772.45 Info: useSync: 0 useProxySync: 0 PRESSURE: 3280400 143.104 80.7834 -118.187 80.7847 -111.232 49.5815 -118.187 49.5804 72.4401 GPRESSURE: 3280400 148.723 40.9545 -134.519 46.7009 -27.1671 27.9146 -47.2148 72.9612 73.5918 PRESSAVG: 3280400 -59.2555 63.8277 -3.63199 63.8277 17.5822 -12.9335 -3.63196 -12.9336 28.2397 GPRESSAVG: 3280400 -60.626 63.9858 -2.39998 63.8905 19.6881 -13.0662 -6.98509 -12.995 27.6271 TIMING: 3280400 CPU: 9769.2, 0.00299893/step Wall: 9769.2, 0.00299893/step, 1.43249 hours remaining, 208.023438 MB of memory in use. ENERGY: 3280400 756.7517 2103.4211 1960.8374 120.2906 -206242.2003 17783.1582 0.0000 0.0000 34291.3233 -149226.4179 299.4747 -183517.7412 -149130.1291 299.4359 34.7705 65.0491 557324.2152 -4.4779 -4.4369 PRESSURE: 3280600 141.906 82.192 -67.8902 82.1917 161.355 -54.2664 -67.8897 -54.2683 166.619 GPRESSURE: 3280600 181.834 89.6582 -75.4373 -6.54703 170.794 -48.3126 -58.5555 -52.1674 207.471 PRESSAVG: 3280600 -58.345 75.1073 -34.5412 75.1073 25.571 -20.8049 -34.5412 -20.805 51.1229 GPRESSAVG: 3280600 -58.1899 75.9466 -36.4629 72.9565 24.907 -21.491 -33.4647 -19.1338 51.5399 TIMING: 3280600 CPU: 9769.79, 0.0029491/step Wall: 9769.79, 0.0029491/step, 1.40852 hours remaining, 208.226562 MB of memory in use. ENERGY: 3280600 700.8244 2050.5627 1957.3379 120.9068 -206687.5733 18122.1308 0.0000 0.0000 34491.1381 -149244.6726 301.2197 -183735.8107 -149148.0345 300.0522 156.6268 186.6995 558049.0900 6.1163 6.0857 PRESSURE: 3280800 88.754 -27.1043 -113.202 -27.1048 -79.1714 13.3343 -113.201 13.335 -86.3259 GPRESSURE: 3280800 95.4154 92.551 -4.25995 -168.161 -75.8689 154.119 -128.279 -52.2495 6.20789 PRESSAVG: 3280800 -50.594 48.1241 -71.9276 48.1242 37.0734 1.20455 -71.9277 1.20456 29.2655 GPRESSAVG: 3280800 -50.9588 47.2994 -71.3254 49.5757 38.1112 1.82896 -73.2591 1.04217 28.7393 TIMING: 3280800 CPU: 9770.37, 0.00294295/step Wall: 9770.37, 0.00294295/step, 1.40542 hours remaining, 208.226562 MB of memory in use. ENERGY: 3280800 780.2727 2047.1556 1931.2844 112.5591 -206239.2817 17863.8898 0.0000 0.0000 34427.1634 -149076.9568 300.6610 -183504.1201 -148983.0579 299.7040 -25.5811 8.5848 558403.4645 5.2483 5.2972 PRESSURE: 3281000 -21.9767 -187.874 -59.4482 -187.873 -231.543 89.5813 -59.4491 89.5808 -36.109 GPRESSURE: 3281000 12.9761 -119.588 -8.67611 -249.647 -205.091 39.9205 -117.376 24.1409 -1.90602 PRESSAVG: 3281000 -69.3249 -16.3086 -41.7925 -16.3087 -34.4628 6.76201 -41.7925 6.76204 72.9429 GPRESSAVG: 3281000 -69.5596 -16.4992 -42.0396 -15.907 -35.1399 7.85967 -39.4038 4.35849 73.7744 TIMING: 3281000 CPU: 9770.96, 0.00293597/step Wall: 9770.96, 0.00293597/step, 1.40192 hours remaining, 208.226562 MB of memory in use. ENERGY: 3281000 755.1661 2075.0431 1958.0177 112.0107 -206337.0398 17837.4044 0.0000 0.0000 34520.0755 -149079.3223 301.4724 -183599.3978 -148979.4862 300.0472 -96.5428 -64.6736 557363.4169 -10.2816 -10.3084 PRESSURE: 3281200 -146.683 -41.6412 16.3789 -41.6411 -202.211 224.724 16.3783 224.724 -69.631 GPRESSURE: 3281200 -132.417 -0.416143 -45.4086 -95.0286 -157.692 269.182 178.245 238.501 -43.8302 PRESSAVG: 3281200 -8.04855 -59.3916 71.1361 -59.3916 -26.1801 2.77394 71.1362 2.77392 46.9064 GPRESSAVG: 3281200 -7.47781 -59.5952 70.8709 -60.499 -26.7042 2.13526 70.3945 3.44168 45.9945 TIMING: 3281200 CPU: 9771.55, 0.00294251/step Wall: 9771.55, 0.00294251/step, 1.40488 hours remaining, 208.226562 MB of memory in use. ENERGY: 3281200 716.8474 2118.9915 1946.0809 111.1620 -205526.5546 17381.9420 0.0000 0.0000 34157.6655 -149093.8655 298.3074 -183251.5310 -148995.4998 299.5356 -139.5083 -111.3132 556073.3593 4.2259 3.9375 PRESSURE: 3281400 197.402 -146.541 30.5913 -146.541 78.3515 -41.3326 30.5905 -41.3324 245.971 GPRESSURE: 3281400 241.641 -183.722 92.1212 -166.549 169.398 -68.1913 -8.31195 -35.5057 214.973 PRESSAVG: 3281400 -21.864 -5.98272 3.78913 -5.98271 -17.9133 1.37281 3.78913 1.37268 32.2838 GPRESSAVG: 3281400 -22.1881 -5.9968 3.26259 -5.94861 -17.7275 0.0572588 4.15783 3.70964 33.0862 TIMING: 3281400 CPU: 9772.14, 0.00295103/step Wall: 9772.14, 0.00295103/step, 1.40879 hours remaining, 208.226562 MB of memory in use. ENERGY: 3281400 713.3393 2045.5505 1990.2266 117.5180 -206104.8735 17884.6391 0.0000 0.0000 34345.2143 -149008.3856 299.9453 -183353.5999 -148909.7184 299.6335 173.9083 208.6705 557540.6779 -2.4978 -2.2765 PRESSURE: 3281600 -105.9 51.3475 -90.3891 51.3465 -37.7083 -13.2781 -90.3889 -13.2779 116.233 GPRESSURE: 3281600 -92.74 130.651 -105.091 86.2966 -13.3194 15.7811 -83.1385 40.9023 161.92 PRESSAVG: 3281600 48.0869 -33.706 -1.69155 -33.706 -5.89422 -15.0869 -1.69155 -15.0869 -59.5888 GPRESSAVG: 3281600 49.2443 -34.7495 -0.402538 -32.4019 -5.74278 -13.2774 -4.10297 -17.9678 -60.7092 TIMING: 3281600 CPU: 9772.73, 0.00296543/step Wall: 9772.73, 0.00296543/step, 1.4155 hours remaining, 208.226562 MB of memory in use. ENERGY: 3281600 792.9429 2104.4442 1954.1569 110.8565 -206188.0481 17825.1005 0.0000 0.0000 34372.3991 -149028.1480 300.1827 -183400.5471 -148935.1453 300.9093 -9.1248 18.6202 556767.2056 -5.7987 -5.7359 PRESSURE: 3281800 143.165 14.2029 -31.8987 14.2027 324.694 -110.714 -31.8985 -110.713 -74.7822 GPRESSURE: 3281800 179.259 20.2184 43.52 12.245 315.216 -64.5095 -99.046 -80.2534 -11.2999 PRESSAVG: 3281800 48.1107 21.8271 -24.5066 21.8271 64.1948 13.3428 -24.5067 13.3428 -115.965 GPRESSAVG: 3281800 46.9806 23.5115 -24.2858 21.7908 63.6055 15.7047 -22.7807 14.2011 -113.527 TIMING: 3281800 CPU: 9773.33, 0.00296568/step Wall: 9773.33, 0.00296568/step, 1.41545 hours remaining, 208.226562 MB of memory in use. ENERGY: 3281800 735.3577 2058.0049 1963.7683 109.4111 -206221.4177 17788.7306 0.0000 0.0000 34449.0094 -149117.1357 300.8518 -183566.1451 -149010.6500 300.5866 131.0257 161.0585 556353.5291 -1.2199 -0.9803 PRESSURE: 3282000 -42.1831 -13.3401 -50.3719 -13.3406 45.2056 31.4729 -50.3716 31.472 -15.1473 GPRESSURE: 3282000 35.5768 21.9971 -42.3768 17.242 18.8875 58.5845 -30.1742 -48.1847 20.5751 PRESSAVG: 3282000 -0.858921 2.67596 -26.4773 2.67598 34.6285 -28.509 -26.4773 -28.5089 31.7107 GPRESSAVG: 3282000 -0.54327 1.83914 -26.8726 1.17505 36.7199 -30.9251 -25.6603 -27.6739 28.9161 TIMING: 3282000 CPU: 9773.92, 0.00296131/step Wall: 9773.92, 0.00296131/step, 1.41321 hours remaining, 208.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3282000 730.0798 2105.6536 1930.3516 121.4473 -205872.7380 17581.5024 0.0000 0.0000 34267.1901 -149136.5132 299.2639 -183403.7033 -149041.9553 299.7951 -4.0416 25.0131 557274.3710 21.8268 21.6976 PRESSURE: 3282200 -58.2102 5.42851 -115.254 5.42876 -121.036 -66.7726 -115.255 -66.773 -253.046 GPRESSURE: 3282200 -31.9829 -84.4112 -66.8532 -5.0199 -108.578 -94.2049 -171.925 -63.3913 -192.974 PRESSAVG: 3282200 -34.8314 23.7365 2.08049 23.7365 37.7537 -50.4074 2.08051 -50.4073 -1.20076 GPRESSAVG: 3282200 -34.2995 21.6539 1.54388 25.5948 36.1019 -49.3362 0.288334 -53.4628 0.206544 TIMING: 3282200 CPU: 9774.51, 0.00296011/step Wall: 9774.51, 0.0029601/step, 1.41246 hours remaining, 208.226562 MB of memory in use. ENERGY: 3282200 743.9328 2099.4221 1935.4386 109.5765 -206240.3042 17594.5098 0.0000 0.0000 34606.6972 -149150.7272 302.2289 -183757.4244 -149051.3076 300.3434 -144.0971 -111.1785 557115.3185 0.5738 0.6697 PRESSURE: 3282400 -96.9912 -94.307 269.856 -94.3072 -193.193 -196.787 269.856 -196.786 -271.814 GPRESSURE: 3282400 -131.038 -65.8261 282.866 -120.268 -134.211 -191.893 239.402 -67.8048 -198.028 PRESSAVG: 3282400 -20.8541 -0.548048 59.591 -0.548034 24.3161 0.827925 59.5909 0.827824 -5.05187 GPRESSAVG: 3282400 -21.1962 0.536391 58.5312 -1.81047 24.3368 -0.489729 61.5633 2.80952 -4.50183 TIMING: 3282400 CPU: 9775.1, 0.00296079/step Wall: 9775.1, 0.00296079/step, 1.41262 hours remaining, 208.226562 MB of memory in use. ENERGY: 3282400 778.6108 2081.2074 1908.3626 108.4865 -205969.4414 17700.4273 0.0000 0.0000 34344.7784 -149047.5685 299.9415 -183392.3469 -148950.3039 300.0669 -187.3330 -154.4261 558457.9103 -0.5300 -0.4538 PRESSURE: 3282600 -97.5736 134.29 -211.474 134.29 -117.629 -141.426 -211.473 -141.425 56.0796 GPRESSURE: 3282600 -103.839 180.345 -243.365 186.914 -12.5907 -264.394 -224.65 -70.2333 66.413 PRESSAVG: 3282600 27.2816 23.252 21.8316 23.252 50.6186 -39.0244 21.8317 -39.0245 -38.9388 GPRESSAVG: 3282600 26.1762 22.128 24.4657 24.4287 52.293 -40.8672 20.4781 -38.5355 -39.7645 TIMING: 3282600 CPU: 9775.7, 0.00296774/step Wall: 9775.7, 0.00296774/step, 1.41578 hours remaining, 208.226562 MB of memory in use. ENERGY: 3282600 751.3729 2090.6238 1931.9260 113.3487 -206073.1245 17844.6721 0.0000 0.0000 34388.0814 -148953.0996 300.3197 -183341.1810 -148862.2168 300.0432 -53.0409 -16.6722 558907.5666 12.9871 12.9016 PRESSURE: 3282800 -53.3979 -5.35507 -36.7056 -5.35443 119.851 36.0744 -36.7056 36.075 224.477 GPRESSURE: 3282800 -4.59749 24.282 -34.9791 -78.0858 184.435 8.19811 -18.9264 65.4058 200.067 PRESSAVG: 3282800 -8.90927 17.9045 -116.338 17.9043 -13.0284 19.8609 -116.338 19.861 18.4704 GPRESSAVG: 3282800 -7.37797 17.941 -117.784 18.4824 -14.414 20.957 -115.761 19.6289 18.0214 TIMING: 3282800 CPU: 9776.3, 0.00299432/step Wall: 9776.3, 0.00299432/step, 1.42829 hours remaining, 208.226562 MB of memory in use. ENERGY: 3282800 718.0267 2120.7138 1946.2284 107.7208 -206414.9229 18043.4298 0.0000 0.0000 34466.2779 -149012.5255 301.0026 -183478.8034 -148914.6018 299.5277 96.9765 126.6349 556494.4467 -1.1558 -1.2569 PRESSURE: 3283000 31.2062 2.96776 30.7937 2.96535 86.5653 -23.9536 30.7934 -23.9525 -175.221 GPRESSURE: 3283000 24.9582 1.02797 -24.9205 30.2576 110.029 44.5194 147.725 -93.7485 -108.597 PRESSAVG: 3283000 29.9069 -45.4002 -8.03511 -45.4002 16.6022 -40.2297 -8.03512 -40.2298 -102.96 GPRESSAVG: 3283000 30.1502 -44.4914 -8.08975 -45.7547 16.339 -36.93 -7.36641 -40.8596 -102.36 TIMING: 3283000 CPU: 9776.89, 0.00297779/step Wall: 9776.89, 0.00297779/step, 1.42024 hours remaining, 208.226562 MB of memory in use. ENERGY: 3283000 727.9034 2073.7043 1933.6881 109.1139 -205800.4647 17672.1616 0.0000 0.0000 34172.8581 -149111.0355 298.4401 -183283.8935 -149014.6219 299.7750 -19.1497 8.7968 557326.9343 -18.8171 -18.6237 PRESSURE: 3283200 -33.2659 -126.007 -23.7125 -126.006 77.7643 28.0354 -23.7108 28.0363 -210.268 GPRESSURE: 3283200 -35.1863 -172.021 11.0543 -107.314 89.0633 -68.4032 -46.9093 98.4719 -131.238 PRESSAVG: 3283200 10.7243 -66.6507 -16.5275 -66.6508 31.5335 35.1254 -16.5276 35.1254 -41.2654 GPRESSAVG: 3283200 9.6004 -67.7729 -16.5546 -66.5833 31.8154 33.2385 -17.5214 34.5479 -40.0578 TIMING: 3283200 CPU: 9777.48, 0.00295857/step Wall: 9777.48, 0.00295857/step, 1.41091 hours remaining, 208.226562 MB of memory in use. ENERGY: 3283200 727.2412 2063.5255 1914.1763 98.3074 -205962.4007 17629.6406 0.0000 0.0000 34319.3583 -149210.1514 299.7195 -183529.5098 -149106.9242 299.7409 -55.2567 -25.7870 557543.0049 0.3308 0.4527 PRESSURE: 3283400 112.691 28.3854 96.0859 28.3864 -17.3606 18.1623 96.0853 18.1617 -73.0889 GPRESSURE: 3283400 92.9051 69.2466 129.106 -9.13034 71.3419 117.396 26.1251 15.8662 -43.8421 PRESSAVG: 3283400 -40.9367 11.1814 -32.3048 11.1814 39.1217 -22.3775 -32.3048 -22.3777 44.6403 GPRESSAVG: 3283400 -39.8727 10.0739 -32.162 11.2177 39.4589 -23.6566 -33.691 -20.6623 43.3459 TIMING: 3283400 CPU: 9778.07, 0.00294372/step Wall: 9778.07, 0.00294372/step, 1.40366 hours remaining, 208.226562 MB of memory in use. ENERGY: 3283400 738.9787 2053.2206 1950.5529 106.9796 -206465.8437 17913.1992 0.0000 0.0000 34445.2733 -149257.6394 300.8191 -183702.9127 -149160.4394 299.4105 7.4138 40.1350 555753.8159 14.2751 14.3107 PRESSURE: 3283600 149.57 -13.2898 33.5022 -13.2904 -123.321 14.0795 33.5014 14.0801 93.2408 GPRESSURE: 3283600 186.744 -1.72411 136.004 -20.4414 -113.622 54.3855 -67.6896 48.5323 145.558 PRESSAVG: 3283600 -77.3653 34.3978 26.5596 34.3978 2.32058 -16.63 26.5595 -16.6299 70.8099 GPRESSAVG: 3283600 -77.3213 34.2308 27.2283 34.5542 1.42571 -16.2326 27.2258 -16.3707 71.8528 TIMING: 3283600 CPU: 9778.66, 0.00293388/step Wall: 9778.66, 0.00293388/step, 1.39881 hours remaining, 208.226562 MB of memory in use. ENERGY: 3283600 736.0487 2048.2806 1920.8704 121.9975 -205987.6760 17777.4332 0.0000 0.0000 34216.4483 -149166.5973 298.8208 -183383.0456 -149069.0899 299.2571 39.8301 72.8936 556212.1460 -1.4116 -1.3476 PRESSURE: 3283800 -177.997 87.3712 41.2221 87.3716 -131.505 -52.5641 41.2221 -52.5641 61.8534 GPRESSURE: 3283800 -163.009 83.8322 90.4996 53.9422 -80.2147 -93.0969 -27.6794 5.63728 82.4904 PRESSAVG: 3283800 -11.4693 18.6005 62.6776 18.6006 -57.4687 11.781 62.6776 11.7811 70.7791 GPRESSAVG: 3283800 -12.2414 18.6961 62.1091 18.5945 -57.1965 12.3923 62.9364 10.9898 70.4272 TIMING: 3283800 CPU: 9779.25, 0.00293557/step Wall: 9779.25, 0.00293557/step, 1.39945 hours remaining, 208.226562 MB of memory in use. ENERGY: 3283800 729.5122 2092.8375 1903.7626 107.0186 -206218.1714 17623.4669 0.0000 0.0000 34430.7570 -149330.8164 300.6924 -183761.5735 -149231.3084 299.4806 -82.5496 -53.5776 555779.2449 0.6137 0.3297 PRESSURE: 3284000 37.228 56.5824 -63.931 56.5813 -82.2118 -56.4265 -63.932 -56.4249 163.637 GPRESSURE: 3284000 85.1494 50.1091 -28.2177 39.2133 -55.2042 -34.1955 -128.265 -64.4076 186.744 PRESSAVG: 3284000 -55.865 32.8893 -47.6101 32.8892 -27.8219 1.20843 -47.6102 1.20818 66.0531 GPRESSAVG: 3284000 -55.1751 35.8785 -47.2579 29.9642 -28.4465 0.984464 -47.6443 2.18908 66.1867 TIMING: 3284000 CPU: 9779.83, 0.00294756/step Wall: 9779.83, 0.00294756/step, 1.405 hours remaining, 208.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3284000 742.4671 2128.7741 1918.0846 105.6573 -206125.8564 17843.5763 0.0000 0.0000 34245.0696 -149142.2275 299.0707 -183387.2971 -149041.9962 299.0352 39.5512 72.2298 556559.3571 -5.8779 -5.8117 PRESSURE: 3284200 -391.805 59.3694 54.1345 59.3687 31.1929 -99.3552 54.1348 -99.3557 -27.7009 GPRESSURE: 3284200 -299.058 48.2646 56.2784 -19.1448 -37.9744 6.0101 119.409 -155.291 45.396 PRESSAVG: 3284200 -39.2993 4.92598 41.2982 4.926 -15.5385 -19.675 41.2982 -19.675 41.9292 GPRESSAVG: 3284200 -41.3892 5.04035 39.5387 6.29287 -12.9186 -19.847 42.3812 -19.7236 41.9886 TIMING: 3284200 CPU: 9780.42, 0.00293624/step Wall: 9780.42, 0.00293624/step, 1.39944 hours remaining, 208.226562 MB of memory in use. ENERGY: 3284200 787.9978 2117.5586 1924.8286 111.1401 -206205.3466 17713.9396 0.0000 0.0000 34291.2740 -149258.6078 299.4742 -183549.8818 -149157.7261 299.6663 -129.4377 -97.2121 558267.5102 -4.3029 -4.1064 LDB: ============= START OF LOAD BALANCING ============== 9783.97 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9783.97 LDB: =============== DONE WITH MIGRATION ================ 9783.97 LDB: ============= START OF LOAD BALANCING ============== 9784.26 LDB: Largest compute 4772 load 0.027641 is 23.4% of average load 0.118225 LDB: Average compute 0.001723 is 1.5% of average load 0.118225 LDB: TIME 9784.26 LOAD: AVG 0.118225 MAX 0.19596 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.641 MB LDB: TIME 9784.26 LOAD: AVG 0.118225 MAX 0.19596 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.641 MB LDB: TIME 9784.26 LOAD: AVG 0.118225 MAX 0.19596 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.641 MB LDB: ============== END OF LOAD BALANCING =============== 9784.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9784.27 PRESSURE: 3284400 -34.8552 -19.9564 93.3683 -19.9575 22.8349 -49.2963 93.3689 -49.2957 122.316 GPRESSURE: 3284400 -13.375 -35.1876 33.5905 -24.9427 67.8971 91.2775 46.98 -110.523 140.236 PRESSAVG: 3284400 -67.1718 -9.62916 10.9625 -9.62914 40.7051 -45.6657 10.9626 -45.6658 -7.24882 GPRESSAVG: 3284400 -65.4587 -10.4844 10.7863 -10.2735 39.5498 -46.8786 10.5064 -44.3666 -7.25042 TIMING: 3284400 CPU: 9781.02, 0.00299358/step Wall: 9781.02, 0.00299358/step, 1.42661 hours remaining, 208.023438 MB of memory in use. ENERGY: 3284400 770.1933 2118.1176 1930.3254 119.7365 -206196.6012 18050.6118 0.0000 0.0000 34168.6737 -149038.9428 298.4035 -183207.6166 -148939.9611 299.5590 36.7651 64.9194 558797.5205 -11.2385 -11.0531 PRESSURE: 3284600 -305.006 66.1882 -41.0279 66.1887 49.3574 4.77381 -41.0274 4.77389 -314.77 GPRESSURE: 3284600 -282.608 106.398 -6.4909 54.2352 1.70085 49.657 17.1415 -54.5038 -188.482 PRESSAVG: 3284600 33.7049 -30.9753 -49.783 -30.9753 12.8491 9.92213 -49.783 9.92214 -50.9751 GPRESSAVG: 3284600 34.4181 -30.9374 -48.2453 -28.562 12.3473 12.4144 -49.5978 9.23374 -50.7202 TIMING: 3284600 CPU: 9781.61, 0.00296193/step Wall: 9781.61, 0.00296193/step, 1.41136 hours remaining, 208.222656 MB of memory in use. ENERGY: 3284600 783.1720 2151.3327 1931.7073 101.1284 -205952.8445 17615.2403 0.0000 0.0000 34187.1660 -149183.0978 298.5650 -183370.2638 -149090.4355 299.7768 -190.1393 -156.4631 558457.7839 -1.4737 -1.3183 PRESSURE: 3284800 171.879 -16.4025 -184.542 -16.4027 114.148 224.395 -184.541 224.396 -45.9632 GPRESSURE: 3284800 145.472 -5.34097 -122.575 -24.1361 174.115 185.588 -140.81 350.466 27.3292 PRESSAVG: 3284800 0.443509 2.15868 -4.28889 2.15866 73.4144 -26.2152 -4.28887 -26.2152 -76.156 GPRESSAVG: 3284800 1.45855 2.54614 -4.16401 1.4535 73.7673 -25.5525 -3.75044 -25.0435 -77.1529 TIMING: 3284800 CPU: 9782.2, 0.00294633/step Wall: 9782.2, 0.00294633/step, 1.40376 hours remaining, 208.222656 MB of memory in use. ENERGY: 3284800 761.3145 2105.9323 1953.3947 100.0421 -206585.5281 18011.9850 0.0000 0.0000 34516.6965 -149136.1630 301.4429 -183652.8595 -149042.7511 299.9129 80.0212 115.6388 558018.8692 -0.7660 -0.6423 PRESSURE: 3285000 -27.5607 320.879 135.849 320.88 121.553 46.0688 135.849 46.0671 -9.48784 GPRESSURE: 3285000 -7.74164 321.987 76.2206 242.43 122.209 -27.308 124.099 68.333 68.8252 PRESSAVG: 3285000 3.29628 -14.0912 -17.3124 -14.0913 34.8369 2.56103 -17.3124 2.56103 -21.5029 GPRESSAVG: 3285000 2.77102 -13.7153 -18.5481 -13.5719 35.8054 1.3294 -18.3948 1.1492 -22.2212 TIMING: 3285000 CPU: 9782.79, 0.00292947/step Wall: 9782.79, 0.00292947/step, 1.39557 hours remaining, 208.222656 MB of memory in use. ENERGY: 3285000 746.6019 2131.8377 1938.1165 107.4844 -206324.9355 17965.9836 0.0000 0.0000 34307.4098 -149127.5016 299.6151 -183434.9114 -149032.3169 299.5702 28.1680 61.0975 556767.6166 5.5434 5.4517 PRESSURE: 3285200 261.713 -5.9228 -163.556 -5.9236 -191.397 140.616 -163.555 140.616 -291.922 GPRESSURE: 3285200 348.914 21.269 -190.047 0.596612 -197.775 87.8103 -227.426 121.545 -280.365 PRESSAVG: 3285200 -12.9033 6.79701 -35.9954 6.79694 21.1116 -3.05213 -35.9954 -3.05211 -61.2502 GPRESSAVG: 3285200 -12.7951 5.98204 -34.6938 5.34878 20.6819 -3.87951 -36.1963 -5.11504 -60.7705 TIMING: 3285200 CPU: 9783.38, 0.00294238/step Wall: 9783.38, 0.00294238/step, 1.40156 hours remaining, 208.222656 MB of memory in use. ENERGY: 3285200 765.1555 2104.7086 1936.9067 114.6388 -206122.0060 17850.9927 0.0000 0.0000 34208.7870 -149140.8168 298.7538 -183349.6038 -149040.5900 299.1687 -73.8687 -43.0752 557424.5303 -17.6806 -17.6279 PRESSURE: 3285400 152.216 -61.3938 26.6081 -61.3927 -33.0363 78.1024 26.6071 78.102 -172.769 GPRESSURE: 3285400 228.622 -7.35891 21.5615 -92.3961 -5.95232 34.5923 5.47299 132.163 -192.124 PRESSAVG: 3285400 49.3047 -11.0385 10.818 -11.0385 -7.38686 53.445 10.818 53.445 -52.851 GPRESSAVG: 3285400 49.1256 -12.6081 9.36512 -11.2446 -7.07853 53.1149 10.242 56.2001 -53.4548 TIMING: 3285400 CPU: 9783.96, 0.00293783/step Wall: 9783.96, 0.00293783/step, 1.39922 hours remaining, 208.222656 MB of memory in use. ENERGY: 3285400 755.1306 2151.5383 1944.9145 121.7920 -206047.9561 17645.0610 0.0000 0.0000 34254.5099 -149175.0099 299.1532 -183429.5198 -149076.2638 298.7918 -17.8631 10.1822 557377.2609 -3.6444 -3.8026 PRESSURE: 3285600 391.541 -2.17606 74.1249 -2.17689 221.393 24.621 74.1252 24.6199 188.889 GPRESSURE: 3285600 329.049 25.6724 24.2415 -39.3471 348.726 -113.832 84.7082 45.8235 221.71 PRESSAVG: 3285600 10.5723 28.6695 -18.3298 28.6696 23.1754 27.2792 -18.3298 27.2791 9.77268 GPRESSAVG: 3285600 10.2097 29.8087 -17.1377 28.7186 22.7421 27.4281 -18.2483 26.5704 10.9745 TIMING: 3285600 CPU: 9784.55, 0.00292783/step Wall: 9784.55, 0.00292783/step, 1.3943 hours remaining, 208.222656 MB of memory in use. ENERGY: 3285600 717.9491 2081.1615 1937.7109 122.2957 -206313.2026 18111.1036 0.0000 0.0000 34224.0314 -149118.9504 298.8870 -183342.9818 -149024.8417 299.4325 267.2745 299.8282 556028.5406 14.5068 14.6421 PRESSURE: 3285800 148.135 -121.799 -33.0467 -121.799 18.9984 -3.46612 -33.0457 -3.46588 29.4308 GPRESSURE: 3285800 178.203 -161.643 -11.9879 -114.653 92.9941 54.463 -75.805 84.9337 28.8845 PRESSAVG: 3285800 -46.0563 -9.48499 -8.03172 -9.485 48.3049 54.7368 -8.03169 54.7368 17.0207 GPRESSAVG: 3285800 -45.6106 -9.43066 -9.58399 -8.29263 49.3017 57.0999 -5.92437 53.7456 16.1671 TIMING: 3285800 CPU: 9785.14, 0.00295219/step Wall: 9785.14, 0.00295219/step, 1.40574 hours remaining, 208.222656 MB of memory in use. ENERGY: 3285800 768.5970 2058.5385 1945.7738 116.7934 -206342.8097 18037.7762 0.0000 0.0000 34363.7815 -149051.5493 300.1075 -183415.3307 -148956.3610 299.9601 65.5213 100.0272 556629.6044 6.4231 6.6194 PRESSURE: 3286000 67.3477 29.6793 -105.171 29.6803 -44.14 -103.209 -105.17 -103.211 -242.31 GPRESSURE: 3286000 108.213 24.4826 -71.0674 -6.44281 36.2773 -86.2474 -194.477 -151.322 -264.482 PRESSAVG: 3286000 -3.99354 -23.9511 -68.5636 -23.9511 100.136 26.3287 -68.5636 26.3286 -53.7539 GPRESSAVG: 3286000 -3.04256 -24.523 -67.5721 -23.1124 99.7219 24.4374 -70.4743 28.7917 -54.1878 TIMING: 3286000 CPU: 9785.73, 0.00295601/step Wall: 9785.73, 0.00295601/step, 1.40739 hours remaining, 208.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3286000 723.2964 2042.8235 1938.7530 119.3252 -205705.2286 17522.3004 0.0000 0.0000 34215.2918 -149143.4382 298.8107 -183358.7300 -149042.9882 299.7168 -73.0341 -39.9972 555977.5305 14.1296 14.1638 PRESSURE: 3286200 188.309 106.675 -248.629 106.674 184.678 158.953 -248.628 158.954 370.153 GPRESSURE: 3286200 267.595 123.977 -240.021 112.288 232.173 158.241 -174.705 122.61 346.214 PRESSAVG: 3286200 20.7104 12.2246 -84.0115 12.2247 30.8164 -22.4797 -84.0116 -22.4797 -45.927 GPRESSAVG: 3286200 19.4647 14.4312 -84.3938 8.292 30.8994 -23.6671 -83.1594 -23.3414 -45.1979 TIMING: 3286200 CPU: 9786.32, 0.00294003/step Wall: 9786.32, 0.00294003/step, 1.39962 hours remaining, 208.222656 MB of memory in use. ENERGY: 3286200 779.7242 2015.7870 1926.1345 99.9891 -206746.5474 18278.1846 0.0000 0.0000 34427.0139 -149219.7140 300.6597 -183646.7279 -149127.8206 298.5096 247.7134 281.9938 555497.1739 1.8666 1.7220 PRESSURE: 3286400 144.239 -6.05985 -6.97625 -6.05975 10.4738 -59.199 -6.97509 -59.1985 16.1839 GPRESSURE: 3286400 195.858 49.1931 20.7722 1.2463 40.3941 -80.8624 -135.136 -44.4261 39.1817 PRESSAVG: 3286400 55.0281 9.84036 -67.46 9.84035 5.12917 -6.8067 -67.46 -6.80671 -84.6145 GPRESSAVG: 3286400 55.7891 9.76405 -66.1366 12.2631 3.30174 -5.13406 -67.9448 -8.57326 -84.4095 TIMING: 3286400 CPU: 9786.91, 0.00296188/step Wall: 9786.91, 0.00296188/step, 1.40985 hours remaining, 208.222656 MB of memory in use. ENERGY: 3286400 668.3089 2030.7730 1924.1758 98.0636 -206150.1037 17632.2455 0.0000 0.0000 34444.1197 -149352.4172 300.8091 -183796.5369 -149255.0100 299.5181 56.9654 91.8112 555857.3308 -8.1524 -8.4395 PRESSURE: 3286600 -212.957 -137.446 49.2227 -137.447 -100.418 57.4602 49.2224 57.4593 109.179 GPRESSURE: 3286600 -123.836 -85.9853 44.385 -124.359 -158.948 63.9084 73.287 142.614 173.774 PRESSAVG: 3286600 -40.7562 -33.852 4.49448 -33.8521 -21.1165 -21.9303 4.49458 -21.9302 24.0224 GPRESSAVG: 3286600 -40.4003 -33.4305 2.97664 -34.4472 -20.8509 -21.9668 6.06206 -21.4288 23.584 TIMING: 3286600 CPU: 9787.5, 0.00295884/step Wall: 9787.5, 0.00295884/step, 1.40824 hours remaining, 208.222656 MB of memory in use. ENERGY: 3286600 770.0480 2027.5451 1946.0301 109.9151 -206647.6637 17917.0982 0.0000 0.0000 34388.8067 -149488.2205 300.3260 -183877.0272 -149391.2802 298.8003 -68.0652 -36.3367 555918.5467 -12.6168 -12.5557 PRESSURE: 3286800 -17.4455 80.5406 -79.5519 80.5395 -159.707 -90.9305 -79.5508 -90.9307 90.56 GPRESSURE: 3286800 34.5656 40.8884 -15.289 89.7885 -105.131 -93.414 -96.0283 -101.484 92.624 PRESSAVG: 3286800 67.2998 40.5852 4.42478 40.5851 -79.795 -67.2337 4.42479 -67.2338 76.9353 GPRESSAVG: 3286800 66.2765 38.0698 4.19845 42.9743 -79.5533 -68.5492 2.9782 -67.4329 77.8245 TIMING: 3286800 CPU: 9788.09, 0.00295175/step Wall: 9788.09, 0.00295175/step, 1.4047 hours remaining, 208.222656 MB of memory in use. ENERGY: 3286800 752.8075 2043.5922 1934.7343 95.7674 -206422.5300 17886.1842 0.0000 0.0000 34277.7902 -149431.6542 299.3565 -183709.4445 -149338.4378 299.3868 -28.8643 7.3528 555479.1832 21.4801 21.5159 PRESSURE: 3287000 41.7169 -84.503 -88.363 -84.5028 63.0965 -83.3341 -88.3634 -83.3351 139.798 GPRESSURE: 3287000 90.1927 -123.19 -94.8419 -31.1657 98.7286 -15.9527 -77.061 -56.717 161.252 PRESSAVG: 3287000 -52.0915 59.1627 -1.1564 59.1627 5.97351 -6.05458 -1.15637 -6.05465 74.0818 GPRESSAVG: 3287000 -51.3976 61.3713 0.0277646 57.24 5.92901 -6.82779 -1.58996 -3.5538 73.8527 TIMING: 3287000 CPU: 9788.68, 0.0029521/step Wall: 9788.68, 0.0029521/step, 1.40471 hours remaining, 208.222656 MB of memory in use. ENERGY: 3287000 738.3043 2131.6463 1968.9993 125.2160 -206178.9246 17825.7287 0.0000 0.0000 34041.1756 -149347.8544 297.2901 -183389.0300 -149250.7448 298.6792 81.5373 116.7245 556367.7003 9.3213 9.4613 PRESSURE: 3287200 -52.5111 41.9334 23.6694 41.9325 156.695 126.915 23.6707 126.916 -215.137 GPRESSURE: 3287200 -27.5528 60.9344 50.7673 63.3267 178.872 124.266 -14.985 147.017 -175.473 PRESSAVG: 3287200 14.4129 2.46155 -2.63558 2.46159 -36.4426 -11.3758 -2.63558 -11.3758 -0.581172 GPRESSAVG: 3287200 13.467 1.42806 -3.11702 2.55081 -37.4551 -7.68423 -2.71177 -14.9773 0.557067 TIMING: 3287200 CPU: 9789.27, 0.00293254/step Wall: 9789.27, 0.00293254/step, 1.39524 hours remaining, 208.222656 MB of memory in use. ENERGY: 3287200 738.3086 2085.8408 1954.5457 108.9391 -206360.1736 17907.3938 0.0000 0.0000 34293.0330 -149272.1127 299.4896 -183565.1457 -149172.5571 299.3264 -36.9845 -8.0513 558557.3685 -7.5370 -7.8104 PRESSURE: 3287400 -504.748 -180.801 130.306 -180.8 60.7294 -268.875 130.305 -268.877 -27.6168 GPRESSURE: 3287400 -390.92 -266.961 139.623 -148.17 5.84177 -324.322 121.294 -181.734 4.37014 PRESSAVG: 3287400 38.6852 -15.5166 -16.0952 -15.5167 -56.1278 1.69005 -16.0952 1.69002 -30.7153 GPRESSAVG: 3287400 39.0281 -17.1757 -15.7622 -13.9771 -54.9311 -1.62593 -16.8581 2.80158 -31.9514 TIMING: 3287400 CPU: 9789.86, 0.00296393/step Wall: 9789.86, 0.00296393/step, 1.41001 hours remaining, 208.222656 MB of memory in use. ENERGY: 3287400 717.9640 2112.7077 1920.6679 116.1454 -206338.6872 17586.6177 0.0000 0.0000 34370.5072 -149514.0772 300.1662 -183884.5844 -149416.2611 298.6626 -157.2117 -126.9027 558112.5292 -16.0526 -15.9515 PRESSURE: 3287600 -51.2105 -46.6848 205.536 -46.6837 -113.337 -32.3382 205.536 -32.3399 26.4663 GPRESSURE: 3287600 -42.4645 -72.9083 181.14 44.8021 -91.9539 3.11059 207.707 -133.03 85.7113 PRESSAVG: 3287600 -56.967 -62.7762 -16.9833 -62.7762 -10.5506 8.61353 -16.9832 8.61346 77.0186 GPRESSAVG: 3287600 -56.0021 -60.8158 -17.0006 -65.861 -12.1418 12.179 -16.2857 7.11339 77.9038 TIMING: 3287600 CPU: 9790.45, 0.00293472/step Wall: 9790.45, 0.00293472/step, 1.39595 hours remaining, 208.222656 MB of memory in use. ENERGY: 3287600 744.9883 2058.0475 1918.7548 118.9241 -206634.3677 17943.2862 0.0000 0.0000 34379.4832 -149470.8837 300.2446 -183850.3668 -149371.7548 298.5759 -46.0270 -16.2357 557307.9345 3.1670 3.2533 PRESSURE: 3287800 -139.378 31.9322 28.776 31.9316 -80.7207 58.8156 28.7765 58.815 -212.328 GPRESSURE: 3287800 -113.752 35.2072 31.2392 64.2765 -56.3401 84.7064 35.6461 69.5667 -153.7 PRESSAVG: 3287800 35.2013 32.369 24.6483 32.3691 -37.8872 -8.29036 24.6483 -8.29028 0.412462 GPRESSAVG: 3287800 34.8304 32.5521 23.5804 34.4416 -36.2738 -12.7055 25.4401 -6.81556 -0.585177 TIMING: 3287800 CPU: 9791.04, 0.00294954/step Wall: 9791.04, 0.00294954/step, 1.40284 hours remaining, 208.222656 MB of memory in use. ENERGY: 3287800 745.6867 2085.8102 1939.7932 118.2288 -206166.2359 17804.2002 0.0000 0.0000 34065.8249 -149406.6920 297.5053 -183472.5169 -149310.4794 298.9474 -144.1423 -107.9305 559088.3697 -0.7578 -0.6762 PRESSURE: 3288000 -24.9888 37.5988 -6.74828 37.5998 -247.418 -12.6287 -6.74866 -12.6285 110.348 GPRESSURE: 3288000 56.1315 75.206 -43.6666 24.461 -244.56 -44.1899 -67.6375 -43.4225 127.063 PRESSAVG: 3288000 29.8893 16.635 6.85892 16.635 -30.699 23.656 6.85886 23.656 40.7159 GPRESSAVG: 3288000 29.8543 15.3755 8.24307 17.1687 -31.3884 25.4558 6.1469 23.8266 41.6764 TIMING: 3288000 CPU: 9791.63, 0.00294838/step Wall: 9791.63, 0.00294838/step, 1.40212 hours remaining, 208.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3288000 755.8309 2084.8205 1917.3137 108.3271 -206255.3184 17846.0681 0.0000 0.0000 34101.0872 -149441.8709 297.8133 -183542.9581 -149345.6875 298.6046 -54.0197 -20.4550 557913.5198 13.3021 13.3808 PRESSURE: 3288200 -258.086 -228.685 57.2502 -228.684 -227.562 1.54778 57.2496 1.54835 -29.5932 GPRESSURE: 3288200 -257.248 -245.194 93.5035 -231.227 -185.783 -37.6488 58.9421 -17.2301 27.4276 PRESSAVG: 3288200 -16.3228 0.832572 36.9044 0.832529 21.5519 -11.5479 36.9045 -11.5479 -7.26475 GPRESSAVG: 3288200 -18.2969 0.879124 34.3304 -0.190423 22.7184 -12.1979 39.6775 -11.1147 -6.32031 TIMING: 3288200 CPU: 9792.22, 0.00293231/step Wall: 9792.22, 0.00293231/step, 1.39432 hours remaining, 208.222656 MB of memory in use. ENERGY: 3288200 741.9856 2074.3731 1921.6844 115.2111 -206248.4274 17705.0510 0.0000 0.0000 34311.7000 -149378.4221 299.6526 -183690.1221 -149283.7033 298.8241 -171.7471 -138.5343 559406.6238 -0.6785 -0.6330 LDB: ============= START OF LOAD BALANCING ============== 9795.76 LDB: ============== END OF LOAD BALANCING =============== 9795.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9795.76 LDB: ============= START OF LOAD BALANCING ============== 9796.06 LDB: Largest compute 4772 load 0.027112 is 22.9% of average load 0.118198 LDB: Average compute 0.001726 is 1.5% of average load 0.118198 LDB: TIME 9796.06 LOAD: AVG 0.118198 MAX 0.197324 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 9796.06 LOAD: AVG 0.118198 MAX 0.197324 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: TIME 9796.06 LOAD: AVG 0.118198 MAX 0.197324 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: ============== END OF LOAD BALANCING =============== 9796.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9796.07 PRESSURE: 3288400 58.072 121.765 74.4602 121.764 79.9043 -110.058 74.4598 -110.059 -44.5744 GPRESSURE: 3288400 73.5081 140.339 52.2592 129.278 156.964 -114.323 147.736 -26.8608 -26.9958 PRESSAVG: 3288400 -68.1995 -30.3859 -33.5597 -30.3859 -17.3908 14.8276 -33.5597 14.8277 25.6154 GPRESSAVG: 3288400 -67.0407 -30.5204 -31.8298 -29.0775 -17.4331 14.5396 -34.4417 14.2159 24.8026 TIMING: 3288400 CPU: 9792.82, 0.00299602/step Wall: 9792.82, 0.00299602/step, 1.42444 hours remaining, 207.765625 MB of memory in use. ENERGY: 3288400 758.7175 2013.3858 1913.5195 104.1540 -206456.4735 18003.2807 0.0000 0.0000 34326.9077 -149336.5084 299.7854 -183663.4161 -149245.3103 298.8456 31.1340 67.8253 557226.3838 -19.9916 -19.8904 PRESSURE: 3288600 -274.828 71.1434 -121.092 71.1438 -171.155 -25.3504 -121.093 -25.3487 -86.0073 GPRESSURE: 3288600 -219.156 -22.9377 -77.756 56.7229 -141.541 -15.3105 -104.921 9.10703 -82.7595 PRESSAVG: 3288600 -79.2836 31.8396 15.2303 31.8397 30.4471 -47.8245 15.2303 -47.8246 40.5292 GPRESSAVG: 3288600 -79.2592 30.7635 15.5654 30.9774 29.4701 -45.238 14.3999 -49.4336 41.1613 TIMING: 3288600 CPU: 9793.4, 0.00291854/step Wall: 9793.4, 0.00291854/step, 1.38744 hours remaining, 207.765625 MB of memory in use. ENERGY: 3288600 763.6240 2073.3461 1955.8026 90.7844 -206233.7162 17757.5051 0.0000 0.0000 34282.2051 -149310.4489 299.3950 -183592.6540 -149212.4412 299.2226 -177.3302 -147.8188 558310.7011 -2.7691 -2.8759 PRESSURE: 3288800 -19.4396 134.239 -79.4567 134.24 -46.1749 -0.758821 -79.4581 -0.757507 1.19999 GPRESSURE: 3288800 19.9819 94.684 -17.8741 200.332 -5.78214 23.46 -84.4851 -33.2651 7.96971 PRESSAVG: 3288800 -75.8199 31.4541 -8.11616 31.4541 10.392 -45.3271 -8.11617 -45.3271 40.9088 GPRESSAVG: 3288800 -75.8793 33.1873 -9.45647 30.4889 11.1872 -47.6005 -5.39784 -44.6003 40.1355 TIMING: 3288800 CPU: 9793.98, 0.00291103/step Wall: 9793.98, 0.00291103/step, 1.38371 hours remaining, 207.765625 MB of memory in use. ENERGY: 3288800 751.3269 2162.2433 1932.6159 112.4338 -206350.3636 17831.1945 0.0000 0.0000 34161.1782 -149399.3710 298.3381 -183560.5491 -149313.6628 299.0958 -21.4715 7.3898 558243.3811 -8.1730 -8.1855 PRESSURE: 3289000 -156.171 -16.4422 152.592 -16.4427 -44.6026 30.5794 152.592 30.5777 -3.32584 GPRESSURE: 3289000 -56.9333 41.6446 140.122 -120.455 -66.3387 26.7132 128.139 15.9087 12.5625 PRESSAVG: 3289000 -9.35355 33.0895 17.9278 33.0896 -37.7359 -84.8623 17.9277 -84.8622 21.6985 GPRESSAVG: 3289000 -9.82408 32.9757 20.1545 34.0701 -38.1091 -84.7301 14.5951 -84.1849 22.5985 TIMING: 3289000 CPU: 9794.57, 0.00294981/step Wall: 9794.57, 0.00294981/step, 1.40198 hours remaining, 207.765625 MB of memory in use. ENERGY: 3289000 766.7510 2042.8205 1919.8628 96.7826 -206175.6185 17767.3243 0.0000 0.0000 34264.8171 -149317.2602 299.2432 -183582.0773 -149213.3540 299.4206 -68.0331 -36.9031 559107.9630 -8.4637 -8.4449 PRESSURE: 3289200 -93.9138 -2.33992 -32.5503 -2.33933 -352.821 18.5819 -32.5517 18.5816 61.9951 GPRESSURE: 3289200 -39.6894 -47.8381 44.2737 75.1421 -313.844 -16.4915 -15.5481 12.7155 57.1065 PRESSAVG: 3289200 41.0959 13.4374 -5.67563 13.4375 -42.2104 38.1012 -5.67564 38.1012 13.0674 GPRESSAVG: 3289200 41.7102 13.7668 -6.439 13.5808 -41.5137 38.4664 -6.29381 39.0964 12.1755 TIMING: 3289200 CPU: 9795.16, 0.00295343/step Wall: 9795.16, 0.00295343/step, 1.40353 hours remaining, 207.765625 MB of memory in use. ENERGY: 3289200 716.7655 2130.3986 1919.8172 107.4398 -206025.2078 17651.2634 0.0000 0.0000 34096.3828 -149403.1405 297.7722 -183499.5233 -149311.5084 298.7021 -128.2466 -98.8088 558824.8288 3.9843 4.1240 PRESSURE: 3289400 84.4342 53.1251 86.0948 53.1247 -88.9849 170.679 86.0944 170.678 111.186 GPRESSURE: 3289400 119.243 154.382 64.1777 55.7124 -18.066 224.216 153.881 159.333 104.196 PRESSAVG: 3289400 -27.4282 1.09091 7.61312 1.09094 22.8569 44.5875 7.61315 44.5875 28.2564 GPRESSAVG: 3289400 -27.4379 0.250737 9.56475 0.693582 21.6701 46.7724 7.78841 40.6506 29.1182 TIMING: 3289400 CPU: 9795.75, 0.00294941/step Wall: 9795.75, 0.00294941/step, 1.40146 hours remaining, 207.765625 MB of memory in use. ENERGY: 3289400 717.8146 2106.8497 1918.0437 110.5346 -206405.2445 17857.0372 0.0000 0.0000 34473.0554 -149221.9092 301.0618 -183694.9646 -149115.2215 299.0861 35.5450 68.4578 557109.6006 7.8950 7.7835 PRESSURE: 3289600 -86.5747 62.4511 103.54 62.4495 34.7487 55.8092 103.541 55.8075 -17.0735 GPRESSURE: 3289600 -110.737 29.8973 162.141 96.3096 83.0941 26.3671 49.7593 69.0962 45.7335 PRESSAVG: 3289600 38.9029 -6.04764 43.2513 -6.04764 -17.6273 45.6778 43.2513 45.6778 -24.5843 GPRESSAVG: 3289600 38.3595 -7.4184 41.2983 -6.21016 -16.7049 43.355 43.7771 48.6623 -24.9177 TIMING: 3289600 CPU: 9796.34, 0.00295772/step Wall: 9796.34, 0.00295772/step, 1.40525 hours remaining, 207.765625 MB of memory in use. ENERGY: 3289600 766.7059 2099.8720 1916.9127 113.2934 -206157.2065 17825.7654 0.0000 0.0000 34099.5848 -149335.0723 297.8002 -183434.6571 -149239.3219 299.6291 -22.9665 6.0303 557909.1102 -1.1029 -1.0877 PRESSURE: 3289800 -228.627 28.0337 -28.0451 28.0355 -120.053 -37.6657 -28.0445 -37.6653 -253.71 GPRESSURE: 3289800 -220.878 120.902 -41.4486 -46.7138 -87.0059 -4.06759 -17.1706 -10.7442 -192.792 PRESSAVG: 3289800 -0.586749 14.7875 3.89107 14.7875 37.4508 -29.9541 3.89108 -29.9542 -32.4127 GPRESSAVG: 3289800 -0.427396 16.7974 4.33507 12.2606 36.4175 -29.6776 4.81163 -29.3825 -31.9051 TIMING: 3289800 CPU: 9796.94, 0.00297769/step Wall: 9796.94, 0.00297769/step, 1.41457 hours remaining, 208.023438 MB of memory in use. ENERGY: 3289800 758.2524 2138.8780 1949.8472 116.3383 -205929.3918 17474.6000 0.0000 0.0000 33977.5031 -149513.9728 296.7340 -183491.4759 -149416.9358 299.0312 -200.7967 -166.8919 557318.4782 1.4838 1.3617 PRESSURE: 3290000 -240.875 177.795 -1.47271 177.795 -358.174 -13.6474 -1.47263 -13.6466 -194.848 GPRESSURE: 3290000 -230.246 168.473 -25.1059 132.641 -269.427 -28.0132 -16.9856 1.10086 -199.785 PRESSAVG: 3290000 -39.2893 -23.2401 -23.6294 -23.2403 18.5371 -9.14707 -23.6294 -9.14702 5.50077 GPRESSAVG: 3290000 -38.9976 -23.0535 -23.2252 -21.8301 17.8802 -8.03339 -24.5912 -9.09193 5.80654 TIMING: 3290000 CPU: 9797.53, 0.00294148/step Wall: 9797.53, 0.00294148/step, 1.3972 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3290000 726.2470 2047.4381 1927.2048 109.7339 -205994.5613 17424.2439 0.0000 0.0000 34233.2804 -149526.4131 298.9678 -183759.6936 -149435.7309 298.4586 -264.6321 -233.1525 557377.6855 -5.0838 -5.1036 PRESSURE: 3290200 -64.2431 -39.0002 29.7617 -39.0001 -9.92831 85.7099 29.7614 85.71 167.768 GPRESSURE: 3290200 -42.2498 -1.73314 137.841 10.7936 32.019 77.9897 -115.518 82.0134 195.822 PRESSAVG: 3290200 -5.87836 35.5138 56.7841 35.5139 6.23752 12.1967 56.784 12.1967 7.15531 GPRESSAVG: 3290200 -6.36952 34.0495 57.4082 36.1515 7.92741 11.0676 56.2272 12.2168 6.3111 TIMING: 3290200 CPU: 9798.11, 0.00293143/step Wall: 9798.11, 0.00293143/step, 1.39227 hours remaining, 208.023438 MB of memory in use. ENERGY: 3290200 740.8928 2069.1022 1948.0261 124.8118 -206591.0944 18042.8946 0.0000 0.0000 34061.5226 -149603.8444 297.4677 -183665.3670 -149509.5401 298.3289 31.1990 61.8636 555687.2547 2.5048 2.6230 PRESSURE: 3290400 -208.23 37.4034 61.7113 37.4036 -134.136 -3.1333 61.7107 -3.13377 206.373 GPRESSURE: 3290400 -177.41 -14.7762 53.9971 89.8234 -32.3118 -12.7349 40.9644 30.4825 159.867 PRESSAVG: 3290400 -79.1605 6.7949 34.4364 6.79485 14.7588 39.0717 34.4364 39.0716 79.3143 GPRESSAVG: 3290400 -79.0208 8.4812 35.025 7.22808 15.1425 39.7492 35.4736 37.8933 78.4208 TIMING: 3290400 CPU: 9798.71, 0.00296418/step Wall: 9798.71, 0.00296418/step, 1.40766 hours remaining, 208.023438 MB of memory in use. ENERGY: 3290400 731.9113 2088.9260 1931.9208 106.5939 -206337.4439 17816.8030 0.0000 0.0000 34086.9827 -149574.3062 297.6901 -183661.2889 -149479.9036 297.7671 -45.3311 -16.6181 557478.3055 4.9709 4.8475 PRESSURE: 3290600 98.5484 -57.8212 169.369 -57.8218 168.963 -148.362 169.37 -148.363 45.6257 GPRESSURE: 3290600 139.387 -42.5943 126.049 -205.544 160.196 -181.97 190.73 -117.209 111.225 PRESSAVG: 3290600 -66.2823 13.7953 -12.6739 13.7952 -2.53818 50.3516 -12.6739 50.3517 65.2226 GPRESSAVG: 3290600 -65.4401 12.046 -13.41 12.7526 -4.66223 50.2783 -13.2751 49.8453 66.3842 TIMING: 3290600 CPU: 9799.29, 0.00293082/step Wall: 9799.29, 0.00293082/step, 1.39165 hours remaining, 208.023438 MB of memory in use. ENERGY: 3290600 724.8490 2118.1184 1925.0527 109.5439 -206635.9207 18077.5133 0.0000 0.0000 34236.6436 -149444.1998 298.9971 -183680.8435 -149348.0392 297.6962 104.3790 136.9361 556630.0277 -1.1993 -1.2394 PRESSURE: 3290800 -175.483 21.0552 38.2896 21.056 -244.377 65.7921 38.2896 65.7926 118.841 GPRESSURE: 3290800 -220.754 96.9776 -63.0716 1.72611 -175.072 107.012 16.969 35.6465 194.336 PRESSAVG: 3290800 -30.3133 16.612 5.49852 16.6119 19.9274 -40.1807 5.4985 -40.1807 46.9712 GPRESSAVG: 3290800 -30.3146 15.9054 3.50368 17.7658 20.366 -39.8207 5.52933 -40.8816 46.5682 TIMING: 3290800 CPU: 9799.88, 0.00293976/step Wall: 9799.88, 0.00293976/step, 1.39573 hours remaining, 208.023438 MB of memory in use. ENERGY: 3290800 779.3084 2060.1481 1909.4470 111.8063 -206441.7816 17809.1026 0.0000 0.0000 34374.0779 -149397.8913 300.1974 -183771.9692 -149302.7917 299.2547 -100.3398 -67.1632 557115.5418 12.1951 12.2065 PRESSURE: 3291000 -74.0346 -73.0846 -191.195 -73.085 -99.6833 -95.8857 -191.195 -95.8854 -131.452 GPRESSURE: 3291000 -26.5742 -61.083 -125.566 -92.8893 -92.5428 -116.429 -127.093 -93.4379 -93.0336 PRESSAVG: 3291000 20.0937 44.1399 7.34875 44.1399 -13.362 -11.0551 7.34871 -11.0552 -4.4058 GPRESSAVG: 3291000 20.0122 44.247 9.7939 44.8178 -13.2973 -12.789 7.66523 -9.00943 -4.50863 TIMING: 3291000 CPU: 9800.47, 0.00295273/step Wall: 9800.47, 0.00295273/step, 1.40172 hours remaining, 208.023438 MB of memory in use. ENERGY: 3291000 750.5749 2070.4889 1952.0974 111.0745 -206137.0501 17612.8851 0.0000 0.0000 34243.9975 -149395.9317 299.0613 -183639.9292 -149305.8581 299.1607 -101.7234 -70.7169 559162.8104 0.7753 0.7354 PRESSURE: 3291200 -145.264 42.3844 66.2772 42.3842 -98.3718 98.07 66.2761 98.0695 -193.29 GPRESSURE: 3291200 -55.2521 16.713 135.427 70.3533 -137.456 98.5194 33.6011 153.115 -149.861 PRESSAVG: 3291200 -14.5886 27.7849 -14.0255 27.7849 -23.6975 12.8412 -14.0255 12.8411 28.5025 GPRESSAVG: 3291200 -14.8082 29.0642 -15.3546 27.1561 -24.7072 13.627 -16.1691 13.368 29.5773 TIMING: 3291200 CPU: 9801.06, 0.00295486/step Wall: 9801.06, 0.00295486/step, 1.40257 hours remaining, 208.023438 MB of memory in use. ENERGY: 3291200 733.1465 2029.8561 1930.5617 111.0826 -206234.2510 17638.3542 0.0000 0.0000 34378.6245 -149412.6254 300.2371 -183791.2498 -149313.7791 299.2025 -145.6417 -114.1900 557369.0007 -3.2612 -3.3127 PRESSURE: 3291400 -503.903 69.0313 -220.649 69.0313 -417.72 196.279 -220.65 196.278 151.959 GPRESSURE: 3291400 -477.337 -45.765 -127.665 147.816 -375.55 294.982 -176.676 119.29 168.659 PRESSAVG: 3291400 -55.3905 70.0545 -22.9806 70.0545 24.9489 27.8474 -22.9807 27.8473 43.3634 GPRESSAVG: 3291400 -54.2914 69.3233 -21.3777 71.3102 25.2363 29.3513 -22.0233 26.3023 41.6506 TIMING: 3291400 CPU: 9801.66, 0.00298382/step Wall: 9801.66, 0.00298382/step, 1.41615 hours remaining, 208.023438 MB of memory in use. ENERGY: 3291400 743.6106 2145.1307 1931.0246 124.2213 -206045.2203 17576.3429 0.0000 0.0000 34286.5813 -149238.3089 299.4332 -183524.8902 -149137.9165 299.1788 -256.5546 -228.0759 558240.8853 4.3073 4.1985 PRESSURE: 3291600 -120.907 53.599 23.5425 53.5995 241.327 33.1972 23.5433 33.1974 11.3307 GPRESSURE: 3291600 -46.0411 28.2287 -11.7685 92.5696 243.155 103.004 79.648 18.2443 15.8561 PRESSAVG: 3291600 -13.1215 37.4344 -76.9453 37.4344 -30.1013 45.3066 -76.9453 45.3066 64.8521 GPRESSAVG: 3291600 -13.1607 38.1336 -79.3894 36.1364 -29.8045 43.2412 -76.0107 45.8719 64.8268 TIMING: 3291600 CPU: 9802.25, 0.00295467/step Wall: 9802.25, 0.00295467/step, 1.40215 hours remaining, 208.023438 MB of memory in use. ENERGY: 3291600 764.3495 2084.8159 1933.5771 113.2635 -206339.9551 17971.7453 0.0000 0.0000 34119.2642 -149352.9396 297.9720 -183472.2038 -149259.1904 299.2383 43.9171 70.9899 559098.3792 7.2098 7.2872 PRESSURE: 3291800 -85.4542 -145.221 120.851 -145.221 -253.882 37.7184 120.851 37.7206 -209.046 GPRESSURE: 3291800 -58.0428 -96.5188 76.443 -193.128 -260.274 45.7525 152.87 14.7094 -106.574 PRESSAVG: 3291800 -37.8704 -15.4396 -18.7186 -15.4396 46.8526 12.4777 -18.7184 12.4776 10.6438 GPRESSAVG: 3291800 -37.8112 -14.7831 -16.3494 -15.6213 46.8533 14.5496 -19.7688 11.5093 10.8502 TIMING: 3291800 CPU: 9802.84, 0.0029591/step Wall: 9802.84, 0.0029591/step, 1.40409 hours remaining, 208.023438 MB of memory in use. ENERGY: 3291800 726.6184 2083.9467 1922.9330 105.0469 -206173.2899 17616.4283 0.0000 0.0000 34265.3853 -149452.9312 299.2481 -183718.3165 -149363.5493 298.6892 -182.7941 -141.6303 558053.5127 6.5420 6.6308 PRESSURE: 3292000 35.5939 106.51 56.2532 106.51 163.607 -58.7456 56.2531 -58.7461 80.1678 GPRESSURE: 3292000 50.392 35.9996 58.6114 173.026 199.867 -51.6886 149.045 53.4944 132.123 PRESSAVG: 3292000 -16.8061 26.6788 23.9199 26.6788 42.4056 -1.39601 23.9199 -1.39599 7.08799 GPRESSAVG: 3292000 -16.614 25.412 22.3142 29.5416 42.6907 -3.14056 24.6998 1.20738 6.73913 TIMING: 3292000 CPU: 9803.44, 0.00298816/step Wall: 9803.44, 0.00298816/step, 1.41772 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3292000 763.8787 2081.4398 1944.5953 106.4733 -206673.1495 18151.0280 0.0000 0.0000 34204.9098 -149420.8244 298.7200 -183625.7343 -149321.6887 298.7733 93.1230 127.4606 556957.9036 10.8958 10.9386 PRESSURE: 3292200 -197.77 43.4813 36.5594 43.4824 129.996 26.9855 36.56 26.9858 -336.373 GPRESSURE: 3292200 -133.094 10.047 140.973 34.6417 116.374 45.2395 -9.57419 39.5808 -293.005 PRESSAVG: 3292200 20.2806 49.3105 12.1381 49.3106 14.9964 -14.6661 12.1381 -14.6662 -37.9717 GPRESSAVG: 3292200 19.0974 47.4373 12.5835 47.7827 14.5392 -13.3972 12.2111 -16.0453 -36.4449 TIMING: 3292200 CPU: 9804.04, 0.00301097/step Wall: 9804.04, 0.00301098/step, 1.42837 hours remaining, 208.023438 MB of memory in use. ENERGY: 3292200 742.1740 2036.3793 1904.7358 104.3084 -206052.4542 17671.4693 0.0000 0.0000 34239.9250 -149353.4625 299.0258 -183593.3874 -149258.8876 298.3932 -134.7154 -103.2413 558317.3716 -0.8982 -0.9361 LDB: ============= START OF LOAD BALANCING ============== 9807.59 LDB: ============== END OF LOAD BALANCING =============== 9807.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9807.6 LDB: ============= START OF LOAD BALANCING ============== 9807.9 LDB: Largest compute 4772 load 0.027167 is 23.0% of average load 0.118205 LDB: Average compute 0.001730 is 1.5% of average load 0.118205 LDB: TIME 9807.9 LOAD: AVG 0.118205 MAX 0.20036 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 9807.9 LOAD: AVG 0.118205 MAX 0.20036 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: TIME 9807.9 LOAD: AVG 0.118205 MAX 0.20036 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9807.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9807.9 PRESSURE: 3292400 -157.175 26.2239 -100.819 26.2239 -102.798 93.5803 -100.819 93.5804 -183.578 GPRESSURE: 3292400 -66.4516 132.456 -118.424 -74.6494 -67.8216 130.3 -145.31 76.8205 -226.598 PRESSAVG: 3292400 4.07222 10.9925 -23.8625 10.9925 22.0427 -17.8593 -23.8625 -17.8594 27.5403 GPRESSAVG: 3292400 3.36614 11.5588 -26.4302 11.9298 22.9616 -17.6466 -24.0213 -17.8552 26.773 TIMING: 3292400 CPU: 9804.65, 0.0030617/step Wall: 9804.65, 0.0030617/step, 1.45227 hours remaining, 206.804688 MB of memory in use. ENERGY: 3292400 795.7269 2020.4026 1938.2367 114.1595 -206221.7997 17823.5186 0.0000 0.0000 34115.1155 -149414.6399 297.9358 -183529.7555 -149311.3483 298.7207 -147.8501 -120.2903 558577.1112 17.8851 17.7003 PRESSURE: 3292600 -122.997 -144.863 -22.7229 -144.863 120.019 -33.6514 -22.7223 -33.6507 87.1742 GPRESSURE: 3292600 -90.3077 -128.572 -11.5582 -132.65 194.103 10.2035 -2.47704 -35.1697 68.2249 PRESSAVG: 3292600 10.7452 55.7771 -69.7136 55.7773 -4.98926 -24.1312 -69.7135 -24.1313 -40.8631 GPRESSAVG: 3292600 10.0634 55.8739 -68.0545 56.5247 -2.98172 -23.9767 -68.8683 -24.1425 -42.1446 TIMING: 3292600 CPU: 9805.25, 0.00299825/step Wall: 9805.25, 0.00299825/step, 1.422 hours remaining, 206.804688 MB of memory in use. ENERGY: 3292600 736.5649 2067.8221 1913.6623 108.1564 -206439.4657 17862.6579 0.0000 0.0000 34104.9221 -149645.6800 297.8468 -183750.6021 -149540.6156 298.2337 28.0654 57.3401 557093.0930 -11.7024 -11.6876 PRESSURE: 3292800 -116.833 34.5648 -96.6924 34.5654 -129.156 -54.5899 -96.6918 -54.59 -140.742 GPRESSURE: 3292800 -80.7679 57.4453 -3.16894 64.6174 -87.7805 -50.3541 -100.144 -54.3373 -113.059 PRESSAVG: 3292800 -39.4601 -36.1373 -24.9512 -36.1373 1.20497 -57.0772 -24.9512 -57.0772 -6.57782 GPRESSAVG: 3292800 -38.1979 -36.6419 -24.3521 -38.1766 -0.536829 -58.4618 -25.9395 -54.2849 -5.65954 TIMING: 3292800 CPU: 9805.85, 0.00296308/step Wall: 9805.85, 0.00296308/step, 1.40516 hours remaining, 206.804688 MB of memory in use. ENERGY: 3292800 727.2660 2040.7284 1936.1174 117.5913 -206108.9458 17637.4809 0.0000 0.0000 34214.5659 -149435.1960 298.8043 -183649.7619 -149338.8166 298.3766 -128.9100 -93.8692 558713.9470 -14.9443 -14.7981 PRESSURE: 3293000 196.667 -6.18672 -30.2025 -6.18674 -182.488 34.2304 -30.2021 34.2281 -169.093 GPRESSURE: 3293000 274.991 46.4976 53.6087 10.0456 -138.243 33.596 5.7956 44.8688 -197.034 PRESSAVG: 3293000 -18.7544 -5.84635 -48.8007 -5.84623 65.1858 5.4375 -48.8007 5.43755 -47.4422 GPRESSAVG: 3293000 -18.9228 -3.17676 -49.9557 -8.32114 64.3797 6.82409 -47.0368 2.94315 -47.0857 TIMING: 3293000 CPU: 9806.43, 0.00292322/step Wall: 9806.43, 0.00292322/step, 1.3861 hours remaining, 206.804688 MB of memory in use. ENERGY: 3293000 734.1250 2072.0370 1925.6230 118.2185 -206405.5011 17928.4432 0.0000 0.0000 34271.7181 -149355.3363 299.3034 -183627.0544 -149263.9968 299.1129 -51.6383 -20.0957 558577.2601 -0.3369 -0.5429 PRESSURE: 3293200 15.3928 -96.3694 6.2168 -96.3696 86.2431 -144.79 6.21693 -144.789 -213.685 GPRESSURE: 3293200 95.2245 -125.845 54.3321 -39.4229 27.6972 -184.726 -28.2211 -165.333 -138.732 PRESSAVG: 3293200 31.0861 -54.7332 -7.12434 -54.7332 37.4667 32.4264 -7.12424 32.4264 -57.6993 GPRESSAVG: 3293200 31.4235 -57.8237 -4.53318 -50.7469 36.7299 32.7083 -11.5341 31.8682 -57.78 TIMING: 3293200 CPU: 9807.02, 0.00295412/step Wall: 9807.02, 0.00295412/step, 1.40058 hours remaining, 206.843750 MB of memory in use. ENERGY: 3293200 735.3362 2076.0666 1940.0430 107.8195 -205837.7727 17612.3096 0.0000 0.0000 34400.6660 -148965.5318 300.4296 -183366.1977 -148865.2879 299.6888 -37.3498 -5.2700 556845.7620 3.6179 3.4578 PRESSURE: 3293400 -28.3468 -195.685 92.0651 -195.686 -33.5377 100.33 92.0639 100.331 -234.084 GPRESSURE: 3293400 31.2525 -186.526 113.36 -83.9115 -14.8187 154.923 43.3715 108.022 -209.287 PRESSAVG: 3293400 36.3045 -61.6956 43.0592 -61.6956 -1.89615 -19.7445 43.0591 -19.7445 -28.2419 GPRESSAVG: 3293400 35.8883 -59.2405 39.7545 -63.0723 -0.918589 -19.8246 45.5237 -20.4323 -28.5334 TIMING: 3293400 CPU: 9807.61, 0.00295155/step Wall: 9807.61, 0.00295155/step, 1.3992 hours remaining, 206.843750 MB of memory in use. ENERGY: 3293400 776.3677 2106.0820 1930.1341 118.7424 -205924.3802 17575.1558 0.0000 0.0000 34346.9801 -149070.9182 299.9607 -183417.8983 -148965.9601 299.8131 -98.6561 -64.2843 557463.7300 2.0555 2.1454 PRESSURE: 3293600 -263.967 40.5502 -30.3096 40.5498 -330.359 -5.14653 -30.3098 -5.14478 -200.66 GPRESSURE: 3293600 -223.537 46.6635 -49.3564 63.4476 -268.546 -54.674 -27.3203 10.3938 -206.382 PRESSAVG: 3293600 43.5917 -32.1828 -17.0514 -32.1829 -46.777 -0.338604 -17.0514 -0.338561 -16.0959 GPRESSAVG: 3293600 44.5503 -33.1841 -18.4097 -31.515 -46.4848 -0.254581 -15.6248 1.04283 -16.9826 TIMING: 3293600 CPU: 9808.2, 0.00295311/step Wall: 9808.2, 0.00295311/step, 1.39977 hours remaining, 206.843750 MB of memory in use. ENERGY: 3293600 745.9652 2104.1820 1953.1183 126.1806 -205716.6715 17383.1140 0.0000 0.0000 34393.8329 -149010.2786 300.3699 -183404.1115 -148921.7939 299.8120 -264.9954 -232.8217 559010.4073 -6.4271 -6.3057 PRESSURE: 3293800 279.535 17.9861 115.195 17.9864 -51.9691 30.793 115.194 30.7943 -23.3947 GPRESSURE: 3293800 286.428 14.4289 153.001 31.272 -27.0367 139.552 64.5126 3.12983 40.2666 PRESSAVG: 3293800 -5.334 -39.5081 37.1026 -39.5081 -41.3319 2.08938 37.1026 2.08938 35.9757 GPRESSAVG: 3293800 -5.85795 -38.2341 39.9552 -40.2657 -39.8436 1.1786 35.5555 3.85387 35.06 TIMING: 3293800 CPU: 9808.79, 0.0029494/step Wall: 9808.79, 0.0029494/step, 1.39785 hours remaining, 206.843750 MB of memory in use. ENERGY: 3293800 781.3240 2088.6282 1934.9165 106.3213 -206251.9956 17975.7232 0.0000 0.0000 34302.8286 -149062.2536 299.5751 -183365.0822 -148964.4944 300.1854 68.0570 99.8860 556427.6318 -3.5634 -3.5472 PRESSURE: 3294000 -115.462 9.88039 -129.491 9.87952 -163.821 -31.226 -129.491 -31.2261 48.1524 GPRESSURE: 3294000 -68.0864 -61.9552 -220.136 -2.24678 -158.486 -44.9625 -57.5113 -72.7763 94.4502 PRESSAVG: 3294000 47.4887 -21.1218 -26.2385 -21.1218 12.0179 -34.0214 -26.2386 -34.0214 -28.1629 GPRESSAVG: 3294000 47.7466 -22.6278 -27.4317 -19.6955 10.5985 -34.6748 -25.7542 -36.074 -26.1523 TIMING: 3294000 CPU: 9809.39, 0.00297986/step Wall: 9809.39, 0.00297986/step, 1.41212 hours remaining, 206.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3294000 751.5506 2037.5267 1913.0241 102.6906 -206272.5508 17906.4085 0.0000 0.0000 34281.7957 -149279.5547 299.3914 -183561.3504 -149176.5614 299.2099 -77.0434 -44.0407 557360.5116 10.4479 10.7309 PRESSURE: 3294200 -6.54315 143.24 210.207 143.242 167.506 -82.8014 210.208 -82.801 115.019 GPRESSURE: 3294200 56.5593 60.6639 168.648 208.389 186.141 -34.1282 209.546 -41.7643 136.947 PRESSAVG: 3294200 14.39 5.29416 -36.4135 5.29427 -14.0502 -25.7966 -36.4135 -25.7966 -20.4242 GPRESSAVG: 3294200 14.1617 5.13529 -36.4036 5.34108 -13.2993 -25.0691 -37.409 -26.789 -20.7104 TIMING: 3294200 CPU: 9809.98, 0.00294431/step Wall: 9809.98, 0.00294431/step, 1.39511 hours remaining, 206.843750 MB of memory in use. ENERGY: 3294200 741.6619 2054.2700 1930.7553 95.2830 -206221.1884 17958.1509 0.0000 0.0000 34332.3967 -149108.6706 299.8334 -183441.0673 -149007.3907 299.6944 91.9939 126.5493 556618.5429 -6.6948 -6.6160 PRESSURE: 3294400 -115.617 -23.6012 -2.35174 -23.601 -9.83312 138.133 -2.35161 138.134 -56.7853 GPRESSURE: 3294400 -40.1884 -31.3394 64.6656 -46.9912 -13.9474 107.499 -53.1273 149.733 -27.6732 PRESSAVG: 3294400 12.5365 -11.6145 13.3336 -11.6146 -37.1699 -26.5286 13.3335 -26.5286 29.8274 GPRESSAVG: 3294400 12.2495 -13.4248 12.7642 -11.4555 -37.6353 -28.139 12.6041 -24.4097 29.6537 TIMING: 3294400 CPU: 9810.56, 0.00291792/step Wall: 9810.56, 0.00291792/step, 1.38244 hours remaining, 206.843750 MB of memory in use. ENERGY: 3294400 695.5996 2060.0308 1920.3951 107.3570 -206265.0410 17809.3904 0.0000 0.0000 34350.1373 -149322.1307 299.9883 -183672.2680 -149228.3072 299.8260 -60.7451 -27.2697 558127.8715 1.7313 1.4227 PRESSURE: 3294600 -105.11 109.634 -148.546 109.634 -210.113 -68.425 -148.546 -68.4257 175.961 GPRESSURE: 3294600 -51.1264 130.692 -180.957 52.2356 -148.192 -40.6534 -38.983 2.74508 171.074 PRESSAVG: 3294600 -73.9746 -13.6302 -39.8194 -13.6303 -19.5793 18.4236 -39.8193 18.4236 53.3282 GPRESSAVG: 3294600 -74.1713 -12.5269 -40.5908 -13.2717 -20.1011 18.7665 -36.9397 16.3517 54.3631 TIMING: 3294600 CPU: 9811.16, 0.0029815/step Wall: 9811.16, 0.0029815/step, 1.4124 hours remaining, 206.843750 MB of memory in use. ENERGY: 3294600 760.9532 2040.3131 1947.8617 109.1167 -205773.7218 17642.9306 0.0000 0.0000 34277.6680 -148994.8787 299.3554 -183272.5466 -148899.7475 299.4518 -46.4207 -9.4150 558482.1571 -13.4086 -13.3031 PRESSURE: 3294800 -191.559 154.586 22.5147 154.585 -103.189 79.2719 22.5144 79.2697 20.9845 GPRESSURE: 3294800 -130.885 50.1046 9.00452 177.388 -80.8342 30.2241 125.927 32.4556 18.4828 PRESSAVG: 3294800 -16.0129 29.1119 -7.7244 29.1119 -10.1493 5.91707 -7.72434 5.91702 22.7827 GPRESSAVG: 3294800 -15.8134 28.7715 -6.78667 26.5245 -11.2215 9.13271 -9.47897 4.78709 22.8036 TIMING: 3294800 CPU: 9811.76, 0.00298875/step Wall: 9811.76, 0.00298875/step, 1.41567 hours remaining, 206.843750 MB of memory in use. ENERGY: 3294800 758.5088 2105.1705 1920.2338 98.5228 -205803.8508 17678.2118 0.0000 0.0000 34377.2978 -148865.9053 300.2255 -183243.2031 -148774.2068 300.1872 -91.2544 -64.4123 558205.0416 -1.1265 -1.4104 PRESSURE: 3295000 -39.0168 58.7433 104.629 58.7438 -371.911 -73.6876 104.63 -73.6865 -76.5854 GPRESSURE: 3295000 5.83936 108.15 195.543 109.284 -283.567 -67.5223 138.914 -69.5292 -120.713 PRESSAVG: 3295000 23.2037 0.14087 21.1579 0.140887 33.9746 -8.08348 21.1579 -8.08346 -14.7306 GPRESSAVG: 3295000 23.7913 1.338 20.8102 1.66116 34.7715 -10.6137 24.4718 -7.48058 -15.8157 TIMING: 3295000 CPU: 9812.35, 0.00295762/step Wall: 9812.35, 0.00295762/step, 1.40076 hours remaining, 206.843750 MB of memory in use. ENERGY: 3295000 769.1148 2068.3596 1926.5578 119.9604 -205590.8277 17444.3604 0.0000 0.0000 34313.9006 -148948.5741 299.6718 -183262.4747 -148846.8474 300.3706 -162.5043 -132.8136 558301.7966 14.1492 14.2490 PRESSURE: 3295200 -48.456 -75.5704 -17.1046 -75.5703 -44.598 53.4078 -17.1031 53.4072 -52.5223 GPRESSURE: 3295200 -63.0916 -87.951 20.4067 12.139 56.9803 138.883 -33.1207 -65.1941 -36.5919 PRESSAVG: 3295200 31.8366 -16.4963 18.1548 -16.4964 -8.28926 -2.36962 18.1548 -2.36977 -8.58307 GPRESSAVG: 3295200 30.0686 -15.4566 19.9373 -16.6508 -7.09751 -1.32957 13.8854 -1.74183 -8.17068 TIMING: 3295200 CPU: 9812.94, 0.00295673/step Wall: 9812.94, 0.00295673/step, 1.40018 hours remaining, 206.843750 MB of memory in use. ENERGY: 3295200 764.8801 2043.1875 1962.6570 100.2186 -205843.1145 17746.2000 0.0000 0.0000 34500.1629 -148725.8084 301.2985 -183225.9713 -148627.8751 300.1088 -48.5254 -14.2344 558045.9086 4.9881 4.9335 PRESSURE: 3295400 -43.2658 -106.275 -49.7081 -106.275 -20.8813 34.6312 -49.7075 34.6318 -9.18899 GPRESSURE: 3295400 44.0602 -52.3454 2.97121 -97.2413 27.5379 -26.7702 -77.4144 47.759 -59.6626 PRESSAVG: 3295400 -34.1735 -17.6162 11.0013 -17.6161 41.4239 24.5035 11.0012 24.5033 -51.8423 GPRESSAVG: 3295400 -33.0632 -18.005 9.8008 -15.9942 40.8614 23.4168 13.1171 23.8036 -52.4849 TIMING: 3295400 CPU: 9813.53, 0.00294828/step Wall: 9813.53, 0.00294828/step, 1.39601 hours remaining, 206.843750 MB of memory in use. ENERGY: 3295400 744.0368 2111.3910 1962.7209 111.6559 -205723.0419 17574.9144 0.0000 0.0000 34463.6156 -148754.7073 300.9793 -183218.3229 -148655.4291 301.2296 -24.4454 3.9785 557529.2988 -14.8640 -14.8956 PRESSURE: 3295600 255.098 -20.2071 94.5434 -20.2072 128.701 -90.6105 94.5438 -90.6108 67.5969 GPRESSURE: 3295600 302.478 -98.6594 151.929 -17.2799 151.237 -108.839 115.323 -92.4596 116.579 PRESSAVG: 3295600 26.2523 10.6456 0.398904 10.6456 43.7657 -14.8805 0.398888 -14.8804 -82.2507 GPRESSAVG: 3295600 27.1139 9.20861 1.73395 11.2008 43.6278 -14.9831 0.151559 -13.463 -82.9408 TIMING: 3295600 CPU: 9814.12, 0.00297632/step Wall: 9814.12, 0.00297632/step, 1.40912 hours remaining, 206.843750 MB of memory in use. ENERGY: 3295600 727.2915 2131.3985 1931.3933 119.6678 -205894.4409 17835.6024 0.0000 0.0000 34363.5776 -148785.5097 300.1057 -183149.0874 -148676.4971 301.0540 150.4652 190.0982 557224.9659 -4.0776 -4.0664 PRESSURE: 3295800 100.646 2.25923 129.096 2.25789 -87.9374 36.8239 129.097 36.8228 140.408 GPRESSURE: 3295800 105.671 -8.80087 94.2947 3.70285 -12.1439 57.6879 141.905 -47.3921 158.767 PRESSAVG: 3295800 -6.77241 -46.0369 33.9015 -46.0369 -6.1156 4.22876 33.9016 4.22888 22.4689 GPRESSAVG: 3295800 -8.61583 -45.0099 32.4308 -46.0634 -5.15778 3.32415 31.5747 1.09651 22.5571 TIMING: 3295800 CPU: 9814.72, 0.00296981/step Wall: 9814.72, 0.00296981/step, 1.40587 hours remaining, 206.843750 MB of memory in use. ENERGY: 3295800 705.7993 2088.6929 1960.0112 117.2145 -205876.8206 17768.5628 0.0000 0.0000 34354.6359 -148881.9039 300.0276 -183236.5398 -148785.5921 300.5879 51.0386 84.0978 558122.5276 3.1936 2.9278 PRESSURE: 3296000 21.8234 61.8828 -84.3381 61.8821 106.561 26.7317 -84.3375 26.7314 -26.3614 GPRESSURE: 3296000 43.4468 23.9289 -119.527 -2.10499 144.384 67.1081 -41.4845 -12.1924 5.54158 PRESSAVG: 3296000 34.0155 -39.8804 19.5809 -39.8804 0.112629 -34.1407 19.5809 -34.1407 -16.3668 GPRESSAVG: 3296000 34.9272 -37.8836 17.8939 -42.0364 -1.70957 -32.4471 23.1538 -30.5412 -15.8792 TIMING: 3296000 CPU: 9815.31, 0.00296199/step Wall: 9815.31, 0.00296199/step, 1.40201 hours remaining, 206.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3296000 751.7453 2080.6121 1941.3423 107.2423 -205912.8353 17672.9803 0.0000 0.0000 34463.5958 -148895.3173 300.9792 -183358.9131 -148807.6901 300.2570 34.0077 64.4573 556846.2806 5.9204 5.7795 PRESSURE: 3296200 -329.721 -140.437 58.6901 -140.436 25.3174 -17.7756 58.6895 -17.775 11.4218 GPRESSURE: 3296200 -282.78 -132.78 75.8058 -109.84 32.3961 -94.6837 84.5609 -4.13726 62.1853 PRESSAVG: 3296200 34.4509 27.4484 1.30338 27.4483 -26.7133 50.2495 1.30335 50.2494 -4.39194 GPRESSAVG: 3296200 33.8251 27.995 3.56369 26.6824 -26.3949 48.8248 -0.386733 51.3938 -4.76368 TIMING: 3296200 CPU: 9815.9, 0.00296335/step Wall: 9815.9, 0.00296335/step, 1.40249 hours remaining, 206.843750 MB of memory in use. ENERGY: 3296200 787.1654 2062.4552 1912.4923 115.3364 -205911.3953 17679.3623 0.0000 0.0000 34492.1415 -148862.4422 301.2285 -183354.5837 -148762.8894 300.2473 -97.6606 -62.7330 557283.8121 1.1152 0.8888 LDB: ============= START OF LOAD BALANCING ============== 9819.45 LDB: ============== END OF LOAD BALANCING =============== 9819.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9819.45 LDB: ============= START OF LOAD BALANCING ============== 9819.75 LDB: Largest compute 4772 load 0.027464 is 23.2% of average load 0.118278 LDB: Average compute 0.001740 is 1.5% of average load 0.118278 LDB: TIME 9819.75 LOAD: AVG 0.118278 MAX 0.198635 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.805 MB LDB: TIME 9819.75 LOAD: AVG 0.118278 MAX 0.198635 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.008 MB LDB: TIME 9819.75 LOAD: AVG 0.118278 MAX 0.198635 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.008 MB LDB: ============== END OF LOAD BALANCING =============== 9819.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9819.76 PRESSURE: 3296400 -212.449 -22.024 -167.452 -22.0231 -73.5028 -72.8873 -167.452 -72.8877 -21.2357 GPRESSURE: 3296400 -182.116 43.2325 -225.724 -84.8251 10.0398 -65.1838 -101.338 13.9199 -30.192 PRESSAVG: 3296400 -16.9844 2.04064 -58.215 2.04075 -35.1545 37.0768 -58.2148 37.0767 33.5666 GPRESSAVG: 3296400 -17.4413 1.62262 -57.2773 3.64343 -34.5739 37.5995 -58.7848 36.3695 33.1642 TIMING: 3296400 CPU: 9816.51, 0.00301746/step Wall: 9816.51, 0.00301746/step, 1.42793 hours remaining, 207.253906 MB of memory in use. ENERGY: 3296400 749.9621 2092.9584 1926.8768 101.7258 -205832.6828 17670.3547 0.0000 0.0000 34436.8562 -148853.9487 300.7456 -183290.8050 -148760.3284 300.6860 -102.3958 -67.4228 557998.3120 -6.1908 -6.2836 PRESSURE: 3296600 -49.1457 13.0924 -13.4402 13.0945 -39.4783 55.3391 -13.4398 55.3394 15.2749 GPRESSURE: 3296600 33.9943 7.85069 37.8644 27.2969 -34.1855 7.62227 -33.5384 138.731 31.0072 PRESSAVG: 3296600 -24.472 14.1639 -60.9711 14.164 10.5648 42.7978 -60.9711 42.7978 -2.09835 GPRESSAVG: 3296600 -24.2952 13.0653 -62.5047 12.8353 10.319 42.1227 -59.6078 42.326 -1.27364 TIMING: 3296600 CPU: 9817.09, 0.0029324/step Wall: 9817.09, 0.00293239/step, 1.38751 hours remaining, 207.453125 MB of memory in use. ENERGY: 3296600 742.6064 2056.0337 1950.9774 112.4708 -206132.7364 17874.7006 0.0000 0.0000 34407.4097 -148988.5377 300.4885 -183395.9474 -148890.1096 299.9820 -24.4497 10.2720 558530.4149 -5.3352 -5.0833 PRESSURE: 3296800 -260.319 -60.6282 -17.1822 -60.6281 208.387 85.5696 -17.1826 85.5689 -138.962 GPRESSURE: 3296800 -262.46 -38.9037 -59.5884 -63.6495 262.45 66.778 11.7582 62.0076 -91.0713 PRESSAVG: 3296800 -68.605 -8.89866 -30.9895 -8.89859 108.361 33.5527 -30.9895 33.5526 -13.3671 GPRESSAVG: 3296800 -68.72 -8.13428 -31.4711 -7.73951 109.929 34.4879 -31.528 32.1976 -14.7221 TIMING: 3296800 CPU: 9817.68, 0.00296426/step Wall: 9817.68, 0.00296427/step, 1.40243 hours remaining, 207.453125 MB of memory in use. ENERGY: 3296800 756.3940 2080.8032 1947.5990 117.3780 -206072.8510 17728.2104 0.0000 0.0000 34467.6147 -148974.8517 301.0143 -183442.4665 -148882.3640 299.8385 -63.6315 -30.3602 558103.6203 8.7964 8.8288 PRESSURE: 3297000 -71.9624 -228.587 82.5076 -228.588 -127.655 -63.8765 82.508 -63.8761 121.641 GPRESSURE: 3297000 -57.7147 -368.659 132.924 -135.301 -7.25793 -118.065 51.317 -72.5679 89.5984 PRESSAVG: 3297000 -63.5736 8.72622 9.92961 8.72628 -12.7719 -5.93305 9.92962 -5.93297 54.4597 GPRESSAVG: 3297000 -63.2904 5.87196 8.9429 9.84214 -13.2079 -5.56424 10.9846 -3.28165 55.0518 TIMING: 3297000 CPU: 9818.28, 0.00296443/step Wall: 9818.28, 0.00296443/step, 1.40234 hours remaining, 207.453125 MB of memory in use. ENERGY: 3297000 764.3870 2064.9385 1944.6412 105.9571 -205951.9798 17735.3996 0.0000 0.0000 34403.2166 -148933.4398 300.4518 -183336.6564 -148835.6735 300.3935 -25.9922 8.2086 556917.9356 -7.2953 -7.1488 PRESSURE: 3297200 -79.4717 124.461 57.5534 124.461 -169.49 281.413 57.5544 281.411 -25.3978 GPRESSURE: 3297200 -6.47265 74.9984 15.9524 87.5704 -218.843 173.944 3.48415 273.056 35.8335 PRESSAVG: 3297200 -19.5652 4.69825 2.98726 4.69827 -30.8691 10.5468 2.98729 10.5468 32.9243 GPRESSAVG: 3297200 -19.2249 8.09206 4.87743 1.52462 -32.6651 9.24496 2.31244 8.73194 34.0861 TIMING: 3297200 CPU: 9818.87, 0.00295814/step Wall: 9818.87, 0.00295814/step, 1.3992 hours remaining, 207.453125 MB of memory in use. ENERGY: 3297200 783.2908 2046.5321 1958.3383 112.3166 -206081.8860 17809.0164 0.0000 0.0000 34307.2186 -149065.1733 299.6135 -183372.3919 -148960.9077 299.9453 -91.4533 -63.1608 558672.4204 -5.8367 -5.9346 PRESSURE: 3297400 -106.482 66.3366 -50.1634 66.3364 -101.68 -21.3263 -50.165 -21.3271 -110.378 GPRESSURE: 3297400 -101.072 168.312 -29.3056 -40.3174 -23.1497 15.8338 -30.3822 19.1174 -104.025 PRESSAVG: 3297400 39.0147 18.922 -4.18294 18.9219 5.98331 -27.7866 -4.183 -27.7866 -33.5405 GPRESSAVG: 3297400 38.1766 15.5008 -4.99558 20.0051 6.47134 -27.4208 -5.52159 -28.2445 -33.434 TIMING: 3297400 CPU: 9819.46, 0.00296083/step Wall: 9819.46, 0.00296083/step, 1.40031 hours remaining, 207.453125 MB of memory in use. ENERGY: 3297400 778.1426 2033.7671 1945.8137 123.0368 -206105.1822 17979.8603 0.0000 0.0000 34200.4908 -149044.0709 298.6814 -183244.5617 -148940.5032 299.6387 -106.1804 -76.0823 559367.8983 3.8192 3.7380 PRESSURE: 3297600 334.554 -0.0661311 27.1859 -0.0646797 59.5104 -73.8151 27.1855 -73.8157 -55.8473 GPRESSURE: 3297600 329.54 -27.3234 110.609 86.7471 66.3507 -19.9559 -77.6609 -125.143 40.9353 PRESSAVG: 3297600 96.4548 18.1009 10.4694 18.1008 -56.8579 -3.98981 10.4694 -3.98972 -83.6963 GPRESSAVG: 3297600 95.6298 20.4501 13.0531 21.2584 -56.4804 -1.42551 10.9786 -4.81889 -83.0905 TIMING: 3297600 CPU: 9820.05, 0.00295245/step Wall: 9820.05, 0.00295245/step, 1.39618 hours remaining, 207.453125 MB of memory in use. ENERGY: 3297600 727.6360 2066.6821 1951.3899 111.8087 -206540.8644 18081.2447 0.0000 0.0000 34425.6352 -149176.4679 300.6476 -183602.1031 -149080.8367 299.5840 112.7391 145.6087 558430.1268 -14.6998 -14.6470 PRESSURE: 3297800 -54.0044 -6.95469 -1.42497 -6.95461 -429.727 94.7362 -1.42558 94.7355 -122.602 GPRESSURE: 3297800 -37.868 39.1673 -9.80426 -60.4042 -381.673 195.206 -5.02496 152.261 -81.2246 PRESSAVG: 3297800 72.0729 2.38325 16.1302 2.38324 -48.742 43.9713 16.1301 43.9713 -11.4222 GPRESSAVG: 3297800 72.3361 2.20659 13.6103 1.60295 -46.9428 42.4334 17.0453 44.0722 -12.8465 TIMING: 3297800 CPU: 9820.65, 0.00296594/step Wall: 9820.65, 0.00296594/step, 1.4024 hours remaining, 207.453125 MB of memory in use. ENERGY: 3297800 727.6092 2103.3852 1926.0679 124.6669 -205686.0286 17365.1406 0.0000 0.0000 34212.7765 -149226.3822 298.7887 -183439.1587 -149133.2121 299.8266 -202.1111 -166.9218 558505.4480 3.9696 4.1823 PRESSURE: 3298000 -246.877 -104.583 -178.138 -104.582 -274.906 201.322 -178.137 201.321 -102.765 GPRESSURE: 3298000 -190.203 -147.699 -166.82 -29.5709 -236.815 160.88 -187.543 249.945 -101.78 PRESSAVG: 3298000 -4.31522 -19.4218 -57.2659 -19.4217 -24.2772 46.5322 -57.2658 46.5322 19.1907 GPRESSAVG: 3298000 -4.64592 -21.2909 -55.7178 -19.0611 -25.3627 44.108 -59.8799 48.5454 19.6507 TIMING: 3298000 CPU: 9821.24, 0.00296743/step Wall: 9821.24, 0.00296743/step, 1.40293 hours remaining, 207.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3298000 757.0940 2105.5422 1925.6552 105.2904 -205572.1124 17378.6128 0.0000 0.0000 34235.8832 -149064.0347 298.9905 -183299.9178 -148971.8136 299.2990 -208.1827 -176.2658 558514.8423 -3.1339 -3.4526 PRESSURE: 3298200 -232.607 -70.576 127.875 -70.5748 19.2082 60.0154 127.874 60.0164 139.437 GPRESSURE: 3298200 -178.978 -35.5139 34.8186 -31.7929 25.7276 56.5372 126.084 43.7923 167.598 PRESSAVG: 3298200 -14.5226 -2.00094 -36.0751 -2.0009 24.0217 -2.28539 -36.0751 -2.28527 12.7098 GPRESSAVG: 3298200 -14.3783 0.635746 -36.7942 -3.93191 23.0631 -1.04219 -32.7777 -4.94969 13.7309 TIMING: 3298200 CPU: 9821.83, 0.00296355/step Wall: 9821.83, 0.00296355/step, 1.40093 hours remaining, 207.453125 MB of memory in use. ENERGY: 3298200 748.1508 2093.8974 1946.1459 111.2047 -205919.6401 17658.9180 0.0000 0.0000 34220.9896 -149140.3336 298.8604 -183361.3232 -149040.1640 300.3250 -24.6540 4.7824 558081.1066 7.4030 7.4719 PRESSURE: 3298400 34.1301 -10.9564 -203.944 -10.957 -335.172 -52.6424 -203.945 -52.6405 197.626 GPRESSURE: 3298400 59.6117 -12.4831 -189.325 -68.435 -270.058 -21.2422 -253.971 -44.2214 210.853 PRESSAVG: 3298400 -6.79351 10.0773 22.2488 10.0773 -21.9534 -3.63446 22.2488 -3.63451 24.8231 GPRESSAVG: 3298400 -7.27737 8.27873 22.2556 10.6266 -22.0444 -3.2916 19.4756 -1.32053 25.7607 TIMING: 3298400 CPU: 9822.42, 0.00295763/step Wall: 9822.42, 0.00295763/step, 1.39797 hours remaining, 207.453125 MB of memory in use. ENERGY: 3298400 755.2450 2068.4338 1933.7110 105.7780 -205838.1971 17610.4836 0.0000 0.0000 34361.9066 -149002.6392 300.0911 -183364.5458 -148901.4819 299.5479 -34.4718 0.1357 557273.7315 -1.3079 -1.1870 PRESSURE: 3298600 30.3249 -219.552 15.3262 -219.552 131.954 100.325 15.3244 100.326 120.668 GPRESSURE: 3298600 67.5207 -220.525 -43.0686 -145.861 174.698 66.6616 -29.5092 65.1873 127.215 PRESSAVG: 3298600 -44.2939 -27.1329 -14.7597 -27.133 7.71796 1.83307 -14.7598 1.83305 30.2275 GPRESSAVG: 3298600 -44.3076 -22.6814 -14.2034 -28.5338 8.11305 3.33827 -14.5377 0.188438 29.4445 TIMING: 3298600 CPU: 9823.02, 0.00297856/step Wall: 9823.02, 0.00297856/step, 1.4077 hours remaining, 207.453125 MB of memory in use. ENERGY: 3298600 743.3031 2041.5107 1937.7652 106.6536 -205825.4926 17857.4074 0.0000 0.0000 34303.9462 -148834.9065 299.5849 -183138.8527 -148732.3301 300.1076 94.3155 123.1446 557452.0712 -2.1162 -2.2500 PRESSURE: 3298800 -12.5522 0.51426 -145.572 0.514654 109.418 53.1221 -145.574 53.1214 320.611 GPRESSURE: 3298800 35.4906 -79.6935 -27.9428 -17.437 133.976 91.7632 -134.344 43.2957 346.57 PRESSAVG: 3298800 -33.7447 -33.7536 -31.067 -33.7536 -24.9329 26.3223 -31.067 26.3224 3.13173 GPRESSAVG: 3298800 -34.405 -37.2117 -32.1512 -32.0695 -23.8796 25.4038 -30.6586 26.9576 2.91115 TIMING: 3298800 CPU: 9823.62, 0.00299244/step Wall: 9823.62, 0.00299244/step, 1.4141 hours remaining, 207.453125 MB of memory in use. ENERGY: 3298800 715.3492 2073.6529 1944.1756 112.6833 -205996.8121 17991.0489 0.0000 0.0000 34358.9698 -148800.9324 300.0654 -183159.9022 -148705.0779 300.1731 139.1589 172.0122 557655.7935 -18.5153 -18.4578 PRESSURE: 3299000 -41.8777 -8.91695 96.9432 -8.91809 27.0479 46.5388 96.9439 46.5385 131.831 GPRESSURE: 3299000 -24.7316 -28.3144 112.507 -1.94191 69.0404 -23.6931 46.9027 147.285 177.846 PRESSAVG: 3299000 -38.9921 -57.5596 39.0542 -57.5595 9.09933 13.5205 39.0542 13.5204 53.0912 GPRESSAVG: 3299000 -37.7261 -57.415 39.859 -56.9093 9.93179 12.8483 38.9217 16.4035 51.2955 TIMING: 3299000 CPU: 9824.21, 0.00297075/step Wall: 9824.21, 0.00297075/step, 1.40368 hours remaining, 207.453125 MB of memory in use. ENERGY: 3299000 739.8801 2081.5410 1938.0022 105.9147 -206274.9018 17966.2708 0.0000 0.0000 34409.9211 -149033.3720 300.5104 -183443.2931 -148932.6612 299.8674 39.0004 74.0515 556408.8700 7.7328 7.8337 PRESSURE: 3299200 -59.4032 -54.819 82.9638 -54.8201 12.572 59.1759 82.9652 59.1761 -35.6714 GPRESSURE: 3299200 -9.11266 -130.133 132.689 -25.9558 56.8247 165.421 35.5017 23.5505 -31.6859 PRESSAVG: 3299200 1.06579 -89.9675 11.5879 -89.9673 -19.5303 28.761 11.5879 28.761 22.6142 GPRESSAVG: 3299200 1.75772 -88.7735 11.2821 -89.4696 -21.4415 30.2991 9.73425 25.7465 23.9365 TIMING: 3299200 CPU: 9824.81, 0.0029892/step Wall: 9824.81, 0.0029892/step, 1.41223 hours remaining, 207.453125 MB of memory in use. ENERGY: 3299200 773.1939 2106.8319 1904.2762 119.2129 -206231.4447 17771.0351 0.0000 0.0000 34402.6071 -149154.2876 300.4465 -183556.8948 -149061.9422 299.4309 -27.5008 5.3420 556908.6297 1.3832 1.4176 PRESSURE: 3299400 -87.5606 -16.1504 -217.269 -16.1506 105.356 -49.3465 -217.27 -49.3476 276.705 GPRESSURE: 3299400 -66.6928 34.7612 -261.183 -18.3145 93.947 -59.3003 -191.088 -91.2652 365.785 PRESSAVG: 3299400 28.7627 -21.2725 25.8083 -21.2726 -51.3197 -15.6802 25.8083 -15.6804 42.0103 GPRESSAVG: 3299400 28.8447 -22.1686 27.8555 -23.246 -50.8017 -17.0322 26.8815 -15.0233 41.7558 TIMING: 3299400 CPU: 9825.41, 0.00300281/step Wall: 9825.41, 0.0030028/step, 1.41849 hours remaining, 207.453125 MB of memory in use. ENERGY: 3299400 720.1865 2115.9732 1935.7563 115.1771 -206520.0672 18073.3983 0.0000 0.0000 34382.7885 -149176.7875 300.2734 -183559.5759 -149083.4700 299.5475 98.1668 131.0130 557281.6736 6.4845 6.5996 PRESSURE: 3299600 110.656 -121.073 18.1274 -121.072 58.3758 -208.272 18.126 -208.272 -355.023 GPRESSURE: 3299600 165.832 -209.933 51.4406 -193.419 86.1446 -260.47 8.90801 -157.829 -335.734 PRESSAVG: 3299600 -55.0486 52.227 6.32963 52.2269 -20.2591 -12.5516 6.32961 -12.5517 50.7967 GPRESSAVG: 3299600 -55.0871 52.659 4.13749 52.3681 -20.0185 -12.9482 7.8008 -13.1703 50.5681 TIMING: 3299600 CPU: 9826, 0.00294792/step Wall: 9826, 0.00294792/step, 1.3924 hours remaining, 207.453125 MB of memory in use. ENERGY: 3299600 767.6456 2080.0161 1910.3273 108.5265 -206031.7130 17764.0191 0.0000 0.0000 34215.8812 -149185.2972 298.8158 -183401.1784 -149094.0905 299.6092 -61.9972 -27.9193 558679.3084 -8.1704 -8.1792 PRESSURE: 3299800 -291.9 137.592 -37.4598 137.592 -48.4106 19.9556 -37.4601 19.9559 -338.689 GPRESSURE: 3299800 -251.248 146.615 -33.5346 167.275 -96.6923 -93.7682 -7.4175 31.0422 -233.51 PRESSAVG: 3299800 -49.002 34.1218 -71.669 34.1219 105.968 -20.5228 -71.669 -20.5227 -56.6086 GPRESSAVG: 3299800 -51.0863 33.5323 -72.281 35.0973 106.902 -17.1533 -72.122 -20.7086 -55.5081 TIMING: 3299800 CPU: 9826.59, 0.00297271/step Wall: 9826.59, 0.00297271/step, 1.40394 hours remaining, 207.453125 MB of memory in use. ENERGY: 3299800 733.2980 2092.2749 1910.7164 109.4875 -205563.0118 17431.6088 0.0000 0.0000 33978.5859 -149307.0402 296.7434 -183285.6261 -149210.3942 298.3321 -226.3331 -193.8169 559276.6494 0.1190 0.1025 PRESSURE: 3300000 -174.448 -15.3361 203.82 -15.3346 14.109 93.6813 203.82 93.68 -263.302 GPRESSURE: 3300000 -135.953 -62.7842 187.136 25.8074 25.8623 179.845 204.754 37.7888 -221.873 PRESSAVG: 3300000 -34.7737 51.2737 -32.7062 51.2737 29.2959 24.0412 -32.7062 24.0412 34.3331 GPRESSAVG: 3300000 -33.3597 50.0394 -32.9225 52.2418 28.1557 23.9495 -33.3101 23.3933 34.1441 TIMING: 3300000 CPU: 9827.19, 0.00297124/step Wall: 9827.19, 0.00297124/step, 1.40309 hours remaining, 207.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3300000 731.4350 2054.6587 1936.8361 110.1345 -206042.9476 17629.1054 0.0000 0.0000 34203.8801 -149376.8978 298.7110 -183580.7779 -149280.4696 298.6954 -141.2139 -110.6546 557381.5156 9.6184 9.6467 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3300000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 3300000 WRITING COORDINATES TO RESTART FILE AT STEP 3300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3300200 125.774 99.9703 78.7795 99.9695 -312.938 115.06 78.7783 115.06 7.10502 GPRESSURE: 3300200 140.507 75.588 4.77231 73.8376 -263.611 129.667 65.6064 77.0881 44.5457 PRESSAVG: 3300200 31.1402 -1.24838 40.9095 -1.24836 -33.3106 54.187 40.9095 54.1869 -26.1307 GPRESSAVG: 3300200 31.1273 -0.854256 41.9925 -1.17351 -32.1887 51.3612 39.9574 55.2412 -27.4065 TIMING: 3300200 CPU: 9827.89, 0.00349494/step Wall: 9827.89, 0.00349493/step, 1.65019 hours remaining, 207.453125 MB of memory in use. ENERGY: 3300200 728.8700 2080.6062 1927.4162 127.3116 -206355.8924 17802.3901 0.0000 0.0000 34226.1098 -149463.1886 298.9051 -183689.2985 -149353.8469 298.9699 -60.0197 -26.1858 557465.5165 -9.4337 -9.4893 LDB: ============= START OF LOAD BALANCING ============== 9831.43 LDB: ============== END OF LOAD BALANCING =============== 9831.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9831.43 LDB: ============= START OF LOAD BALANCING ============== 9831.73 LDB: Largest compute 4772 load 0.027383 is 23.2% of average load 0.118217 LDB: Average compute 0.001736 is 1.5% of average load 0.118217 LDB: TIME 9831.73 LOAD: AVG 0.118217 MAX 0.196289 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 9831.73 LOAD: AVG 0.118217 MAX 0.196289 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.457 MB LDB: TIME 9831.73 LOAD: AVG 0.118217 MAX 0.196289 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.457 MB LDB: ============== END OF LOAD BALANCING =============== 9831.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9831.74 PRESSURE: 3300400 -69.2422 -30.5748 13.0849 -30.5751 42.1389 -13.1596 13.084 -13.1594 -177.388 GPRESSURE: 3300400 -102.759 -98.329 98.2376 53.9719 75.7337 -12.5945 -57.8755 -40.8483 -85.5169 PRESSAVG: 3300400 46.0709 8.56416 -3.55579 8.56418 -12.5284 -91.9561 -3.55578 -91.9561 -28.76 GPRESSAVG: 3300400 45.3748 8.48159 -3.97217 9.4012 -12.5892 -91.7106 -2.60831 -91.834 -27.1658 TIMING: 3300400 CPU: 9828.49, 0.00301451/step Wall: 9828.49, 0.00301451/step, 1.42319 hours remaining, 208.792969 MB of memory in use. ENERGY: 3300400 696.1884 2139.1411 1938.5120 117.1428 -206028.2007 17480.8064 0.0000 0.0000 34318.6796 -149337.7304 299.7136 -183656.4101 -149242.9638 298.4430 -68.1637 -37.5142 555826.0129 1.5942 1.8733 PRESSURE: 3300600 20.4926 40.4674 -48.4561 40.469 -176.873 -32.114 -48.4543 -32.1151 -110.896 GPRESSURE: 3300600 15.0634 -84.3139 -57.7515 90.3115 -76.4209 28.9355 50.528 -112.841 -115.506 PRESSAVG: 3300600 89.4463 11.5494 30.3054 11.5494 35.1414 -4.91567 30.3053 -4.91567 -77.462 GPRESSAVG: 3300600 90.6195 12.9541 29.9185 9.71442 34.6619 -3.1648 30.5825 -5.06714 -78.1658 TIMING: 3300600 CPU: 9829.08, 0.00292626/step Wall: 9829.08, 0.00292626/step, 1.38136 hours remaining, 208.863281 MB of memory in use. ENERGY: 3300600 756.2876 2082.0846 1953.6869 125.7572 -206161.9873 17766.7552 0.0000 0.0000 34206.4249 -149270.9909 298.7332 -183477.4157 -149175.7028 299.3661 -89.0921 -58.9546 556888.4186 15.7086 15.7052 PRESSURE: 3300800 -389.339 -21.003 170.992 -21.0039 -44.5822 59.8033 170.993 59.8045 -94.9493 GPRESSURE: 3300800 -318.844 -58.557 249.433 34.0091 -23.8014 53.3455 172.806 16.4861 -97.8601 PRESSAVG: 3300800 -38.9575 -47.609 -2.77252 -47.609 86.2322 3.07849 -2.77252 3.0785 -62.5084 GPRESSAVG: 3300800 -38.8964 -49.5195 -2.51863 -46.2742 85.3342 -0.259857 -3.69957 6.12667 -61.7047 TIMING: 3300800 CPU: 9829.67, 0.00295706/step Wall: 9829.67, 0.00295706/step, 1.39573 hours remaining, 208.863281 MB of memory in use. ENERGY: 3300800 724.2381 2113.1573 1929.5376 118.8120 -206100.0172 17527.5660 0.0000 0.0000 34298.6383 -149388.0678 299.5385 -183686.7061 -149292.5258 299.1685 -176.2903 -146.8351 557333.9806 -5.0779 -5.0890 PRESSURE: 3301000 78.6346 54.2519 47.492 54.2518 -152.725 51.837 47.4921 51.8374 -295.598 GPRESSURE: 3301000 100.451 119.948 43.9451 10.293 -75.0724 40.6959 110.437 63.6116 -311.613 PRESSAVG: 3301000 29.124 24.3477 38.4609 24.3477 -1.32572 -5.0826 38.461 -5.0826 -28.982 GPRESSAVG: 3301000 29.5152 26.8782 37.1738 24.1365 -1.25603 -3.16467 37.6695 -9.08644 -29.9328 TIMING: 3301000 CPU: 9830.25, 0.00291273/step Wall: 9830.25, 0.00291273/step, 1.37465 hours remaining, 208.863281 MB of memory in use. ENERGY: 3301000 721.8781 2151.3358 1923.8222 100.6591 -206030.3721 17582.2720 0.0000 0.0000 34310.9892 -149239.4156 299.6464 -183550.4049 -149140.9620 298.6863 -123.2295 -95.4115 558032.7849 -0.3946 -0.5579 PRESSURE: 3301200 80.206 51.4251 81.8985 51.4244 -286.893 241.492 81.8989 241.492 -105.421 GPRESSURE: 3301200 65.1494 -1.77859 67.4723 85.0316 -192.17 181.147 62.1258 229.725 -84.6822 PRESSAVG: 3301200 2.6079 57.7611 7.81353 57.761 32.4812 48.491 7.81354 48.491 -24.6537 GPRESSAVG: 3301200 1.30929 57.1238 7.34372 57.4219 33.7828 48.0062 8.56316 50.0896 -24.7362 TIMING: 3301200 CPU: 9830.83, 0.00291086/step Wall: 9830.83, 0.00291086/step, 1.3736 hours remaining, 208.863281 MB of memory in use. ENERGY: 3301200 737.1402 2060.7680 1950.5640 110.5166 -206089.2926 17673.8042 0.0000 0.0000 34279.2374 -149277.2622 299.3691 -183556.4996 -149180.9835 299.2506 -104.0363 -70.5676 558335.1245 3.4785 3.4520 PRESSURE: 3301400 66.4977 0.250276 -39.87 0.2506 16.5096 -108.445 -39.8705 -108.445 36.8491 GPRESSURE: 3301400 57.917 -54.435 -25.0175 2.97217 71.5667 -196.93 -78.2818 -14.157 102.129 PRESSAVG: 3301400 14.5515 9.92011 -33.5857 9.92 15.0478 32.2538 -33.5857 32.2538 -41.9678 GPRESSAVG: 3301400 15.454 10.1594 -31.9771 10.3987 14.1047 34.3231 -33.2989 32.2544 -41.3579 TIMING: 3301400 CPU: 9831.42, 0.00294969/step Wall: 9831.42, 0.00294969/step, 1.39176 hours remaining, 208.863281 MB of memory in use. ENERGY: 3301400 777.1837 2033.2753 1929.7596 117.8439 -206296.3750 17894.7963 0.0000 0.0000 34238.8113 -149304.7049 299.0161 -183543.5162 -149210.8841 299.5276 39.9522 77.2043 557910.5807 -4.1228 -3.9331 PRESSURE: 3301600 -90.1053 -117.388 13.5374 -117.388 165.202 89.4672 13.5367 89.4672 -30.6777 GPRESSURE: 3301600 -8.14114 -110.467 -17.1152 -104.686 148.813 136.007 -9.3915 60.7298 -1.05224 PRESSAVG: 3301600 37.5789 -35.6537 -41.1356 -35.6537 -56.1976 1.20816 -41.1356 1.20825 -16.0741 GPRESSAVG: 3301600 38.065 -36.8811 -42.3755 -36.2161 -56.0603 0.891471 -40.4676 0.527261 -16.6513 TIMING: 3301600 CPU: 9832.01, 0.00296356/step Wall: 9832.01, 0.00296356/step, 1.39814 hours remaining, 208.863281 MB of memory in use. ENERGY: 3301600 764.7451 2092.0460 1885.4602 122.0118 -206572.7028 17962.6261 0.0000 0.0000 34398.4001 -149347.4136 300.4098 -183745.8137 -149257.3147 299.1611 14.8064 46.5400 557847.3175 -11.5643 -11.5489 PRESSURE: 3301800 -40.7774 0.176807 48.424 0.178141 -6.74724 -202.271 48.4239 -202.271 -33.8729 GPRESSURE: 3301800 18.4933 -71.9464 93.5388 70.1414 2.8634 -210.403 -20.6483 -156.82 -8.56799 PRESSAVG: 3301800 23.7625 -25.6334 25.9472 -25.6334 -18.7001 8.48144 25.9473 8.48141 36.9302 GPRESSAVG: 3301800 23.1657 -26.4693 24.9156 -25.4789 -18.1673 8.06597 26.2943 8.10108 36.6721 TIMING: 3301800 CPU: 9832.6, 0.00295466/step Wall: 9832.6, 0.00295466/step, 1.39378 hours remaining, 208.863281 MB of memory in use. ENERGY: 3301800 742.8701 2074.0956 1936.2911 110.1907 -206188.0169 17766.2094 0.0000 0.0000 34205.2512 -149353.1088 298.7230 -183558.3600 -149260.1386 299.2197 -27.1325 4.2629 557199.7819 13.9975 13.8902 PRESSURE: 3302000 51.9668 28.9788 -97.5127 28.9795 157.169 -63.9182 -97.5129 -63.9184 -119.693 GPRESSURE: 3302000 96.8691 5.79375 -145.139 -7.33414 216.577 -54.3263 -57.4611 -24.7077 -119.08 PRESSAVG: 3302000 -30.1324 -51.8776 -5.14107 -51.8776 0.54656 -23.0732 -5.14111 -23.0731 -9.24187 GPRESSAVG: 3302000 -30.0229 -49.4701 -3.02531 -52.2695 0.28161 -22.5759 -6.90347 -20.8724 -8.84981 TIMING: 3302000 CPU: 9833.2, 0.00296348/step Wall: 9833.2, 0.00296348/step, 1.39777 hours remaining, 208.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3302000 792.7950 2081.9795 1918.2956 108.2205 -206498.5416 17952.0435 0.0000 0.0000 34174.6442 -149470.5634 298.4557 -183645.2076 -149375.0544 299.2822 29.8142 64.7884 556330.6818 -12.9426 -12.8637 PRESSURE: 3302200 -373.436 -81.6875 98.9691 -81.6888 -179.494 -138.469 98.9688 -138.47 -179.89 GPRESSURE: 3302200 -330.732 -136.211 152.113 -132.925 -126.899 -35.316 102.491 -163.622 -179.861 PRESSAVG: 3302200 11.4497 -14.2696 -32.0817 -14.2696 -59.3465 9.25832 -32.0818 9.25835 16.6666 GPRESSAVG: 3302200 12.7845 -14.985 -32.6081 -15.7858 -59.6342 8.59017 -31.9248 7.5115 15.6814 TIMING: 3302200 CPU: 9833.8, 0.00298826/step Wall: 9833.8, 0.00298826/step, 1.4093 hours remaining, 208.863281 MB of memory in use. ENERGY: 3302200 785.2010 2065.7670 1914.0385 110.0851 -206020.4091 17507.0323 0.0000 0.0000 33977.5793 -149660.7058 296.7347 -183638.2852 -149570.0346 298.3089 -244.2734 -212.4972 557683.9914 -10.4101 -10.3894 PRESSURE: 3302400 -72.7644 45.1753 -37.8159 45.1761 49.5468 172.02 -37.8165 172.019 -6.27635 GPRESSURE: 3302400 -83.5397 110.71 32.3273 11.2266 74.1652 197.258 -67.1874 146.354 73.0587 PRESSAVG: 3302400 0.531098 26.8418 3.92323 26.8417 -40.3884 -31.4595 3.92331 -31.4595 45.1896 GPRESSAVG: 3302400 -0.115869 26.1837 4.18096 29.3397 -40.2221 -31.7935 4.80417 -28.0053 45.2035 TIMING: 3302400 CPU: 9834.39, 0.00296524/step Wall: 9834.39, 0.00296523/step, 1.39827 hours remaining, 208.863281 MB of memory in use. ENERGY: 3302400 741.3952 2062.7368 1920.3888 115.7238 -206329.6092 17735.7449 0.0000 0.0000 34063.6153 -149690.0044 297.4860 -183753.6197 -149592.2485 298.1553 -9.8313 21.2281 555597.1650 1.7774 1.6218 PRESSURE: 3302600 230.557 100.939 -18.2318 100.939 -30.1909 -147.512 -18.2313 -147.512 -50.839 GPRESSURE: 3302600 287.426 218.482 20.2075 17.0569 -55.7704 -107.559 -9.72869 -169.972 13.8203 PRESSAVG: 3302600 -24.4408 16.9814 -7.20421 16.9814 47.2761 -0.696224 -7.2043 -0.696192 -56.1587 GPRESSAVG: 3302600 -24.5692 18.1299 -6.64253 16.2834 47.04 -0.699739 -7.3975 -2.80881 -55.7609 TIMING: 3302600 CPU: 9834.98, 0.00296343/step Wall: 9834.98, 0.00296344/step, 1.39726 hours remaining, 208.863281 MB of memory in use. ENERGY: 3302600 722.0106 2046.1503 1944.6930 100.9553 -206425.4662 17959.5928 0.0000 0.0000 34121.1557 -149530.9086 297.9885 -183652.0643 -149432.6295 298.6340 49.8425 81.8254 558073.8228 -11.1078 -11.0967 PRESSURE: 3302800 322.958 -174.212 78.8756 -174.213 64.9269 111.108 78.8753 111.109 261.482 GPRESSURE: 3302800 336.845 -243.165 51.9225 -120.923 104.642 -8.41473 108.873 185.121 306.635 PRESSAVG: 3302800 -17.2287 19.2068 -15.473 19.2069 5.76759 -8.31848 -15.4731 -8.31851 62.5775 GPRESSAVG: 3302800 -16.8482 19.1664 -15.0077 20.1467 6.16083 -8.30679 -14.639 -9.28917 62.1182 TIMING: 3302800 CPU: 9835.57, 0.0029489/step Wall: 9835.57, 0.0029489/step, 1.39024 hours remaining, 208.863281 MB of memory in use. ENERGY: 3302800 696.4472 2161.8450 1939.5327 117.8805 -206614.9535 18106.7467 0.0000 0.0000 34160.8623 -149431.6392 298.3353 -183592.5015 -149332.0901 298.4539 216.4555 249.3738 556989.6887 17.0388 17.1436 PRESSURE: 3303000 27.5394 211.434 -154.152 211.436 -23.6543 65.9519 -154.152 65.9525 215.692 GPRESSURE: 3303000 50.4472 223.156 -115.624 160.047 -13.1189 53.7945 -129.407 172.641 266.43 PRESSAVG: 3303000 -21.7393 63.5238 20.6679 63.5238 -16.1933 -20.1157 20.6678 -20.1157 22.1774 GPRESSAVG: 3303000 -22.0298 63.0646 18.361 62.2307 -15.98 -19.9306 20.7483 -19.2838 21.9557 TIMING: 3303000 CPU: 9836.16, 0.00295694/step Wall: 9836.16, 0.00295694/step, 1.39387 hours remaining, 208.863281 MB of memory in use. ENERGY: 3303000 780.7468 2129.0320 1943.7672 117.0521 -206956.6634 18211.3108 0.0000 0.0000 34497.9112 -149276.8433 301.2788 -183774.7545 -149184.0855 299.3047 73.1923 101.2527 557137.5358 -5.2517 -5.3514 PRESSURE: 3303200 14.4304 22.8991 93.0684 22.8988 -216.636 -93.4488 93.0691 -93.4493 50.4019 GPRESSURE: 3303200 57.8631 -21.535 25.7076 -4.41382 -143.656 -153.927 89.5882 -40.001 44.5246 PRESSAVG: 3303200 32.5775 3.83548 44.0251 3.83556 -41.2209 5.30633 44.0251 5.3064 17.7914 GPRESSAVG: 3303200 32.8733 3.9248 47.1345 4.46071 -41.6422 6.27028 44.3365 4.17287 17.8585 TIMING: 3303200 CPU: 9836.76, 0.00297202/step Wall: 9836.76, 0.00297202/step, 1.40081 hours remaining, 208.863281 MB of memory in use. ENERGY: 3303200 730.7055 2121.2953 1936.2210 112.6451 -206101.4235 17731.0185 0.0000 0.0000 34153.5497 -149315.9884 298.2714 -183469.5381 -149222.6333 299.5281 -50.6011 -13.7560 557325.9757 3.0494 3.0299 PRESSURE: 3303400 -73.4978 119.793 146.563 119.793 121.957 100.125 146.563 100.125 -366.933 GPRESSURE: 3303400 -69.9585 136.368 154.446 134.019 128.992 95.0609 176.378 20.5305 -287.725 PRESSAVG: 3303400 20.883 -3.78664 13.6273 -3.78649 -22.2083 -33.9336 13.6272 -33.9336 -28.1504 GPRESSAVG: 3303400 21.4384 -5.00077 10.4822 -2.44112 -23.4504 -35.4105 12.7964 -34.5005 -27.1483 TIMING: 3303400 CPU: 9837.34, 0.00293733/step Wall: 9837.34, 0.00293733/step, 1.3843 hours remaining, 208.863281 MB of memory in use. ENERGY: 3303400 749.2022 2057.4817 1914.2611 105.7091 -206085.6828 17550.0382 0.0000 0.0000 34206.3649 -149502.6256 298.7327 -183708.9905 -149398.9723 299.0285 -106.1576 -76.2305 555985.1603 -9.8253 -9.7201 PRESSURE: 3303600 293.854 90.0652 -312.12 90.065 251.067 -17.0386 -312.12 -17.0366 8.09835 GPRESSURE: 3303600 309.93 169.993 -309.353 58.7772 345.424 -82.0704 -265.083 30.4956 -5.96528 PRESSAVG: 3303600 -20.9376 -10.6052 -30.5208 -10.6052 37.2132 -6.38091 -30.5208 -6.38089 5.89639 GPRESSAVG: 3303600 -21.5673 -11.0759 -29.1591 -11.5339 38.0964 -5.1624 -30.1208 -6.24323 5.78815 TIMING: 3303600 CPU: 9837.94, 0.00295512/step Wall: 9837.94, 0.00295512/step, 1.39252 hours remaining, 208.863281 MB of memory in use. ENERGY: 3303600 732.6185 2076.0286 1916.7074 112.0523 -206781.9581 18212.6209 0.0000 0.0000 34214.4528 -149517.4776 298.8033 -183731.9304 -149420.1703 298.9866 184.3398 216.4629 555700.1935 7.3906 7.4391 PRESSURE: 3303800 -214.032 118.917 -148.375 118.918 -6.68947 -106.709 -148.375 -106.709 5.0247 GPRESSURE: 3303800 -194.805 168.26 -165.621 144.48 65.9166 -155.854 -156.256 -49.5596 23.1819 PRESSAVG: 3303800 -83.838 -35.1906 -38.326 -35.1905 85.251 -46.4643 -38.3259 -46.4642 4.48038 GPRESSAVG: 3303800 -84.9224 -32.4586 -39.104 -36.2204 86.0961 -46.174 -38.8896 -45.5325 4.44882 TIMING: 3303800 CPU: 9838.53, 0.00295809/step Wall: 9838.53, 0.00295809/step, 1.39375 hours remaining, 208.863281 MB of memory in use. ENERGY: 3303800 734.9898 2034.5819 1920.3049 130.0948 -206523.3500 17840.1102 0.0000 0.0000 34317.4410 -149545.8275 299.7027 -183863.2685 -149450.9788 298.7955 -71.8989 -35.2354 556741.3319 1.9645 1.8742 PRESSURE: 3304000 -319.51 166.274 41.3832 166.273 87.8052 35.4688 41.3827 35.4692 147.873 GPRESSURE: 3304000 -254.536 216.791 -25.7645 170.57 109.253 -40.6461 153.652 25.5591 148.474 PRESSAVG: 3304000 -78.3743 -22.3098 -37.5408 -22.3097 50.0431 -13.8367 -37.5408 -13.8366 48.7728 GPRESSAVG: 3304000 -77.3826 -24.303 -36.7731 -21.7133 49.7302 -15.8301 -36.88 -13.7472 48.6378 TIMING: 3304000 CPU: 9839.12, 0.00296047/step Wall: 9839.12, 0.00296047/step, 1.39471 hours remaining, 208.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3304000 731.2410 2107.9360 1915.8827 122.6007 -206514.1693 17792.1799 0.0000 0.0000 34405.1146 -149439.2144 300.4684 -183844.3289 -149338.4714 298.5591 -27.9440 1.0636 557514.4617 6.8139 6.9951 PRESSURE: 3304200 -302.038 50.1047 -27.3306 50.1052 -90.2535 14.5542 -27.3302 14.5536 -226.199 GPRESSURE: 3304200 -310.097 58.8206 26.0968 100.187 -53.85 43.5826 -36.133 25.5042 -152.185 PRESSAVG: 3304200 -40.1101 62.4268 -1.04507 62.4269 -78.4115 -14.8133 -1.04518 -14.8133 71.8849 GPRESSAVG: 3304200 -40.4438 62.0705 -4.47462 61.4738 -79.7631 -16.4149 -0.182699 -11.0176 73.1601 TIMING: 3304200 CPU: 9839.71, 0.00295959/step Wall: 9839.71, 0.00295959/step, 1.39413 hours remaining, 208.863281 MB of memory in use. ENERGY: 3304200 771.9201 2039.1177 1900.4495 114.6406 -206336.7163 17826.5305 0.0000 0.0000 34165.1919 -149518.8660 298.3731 -183684.0579 -149426.4373 298.3761 -206.1636 -172.0442 559178.9821 -15.5456 -15.6823 LDB: ============= START OF LOAD BALANCING ============== 9843.26 LDB: ============== END OF LOAD BALANCING =============== 9843.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9843.26 LDB: ============= START OF LOAD BALANCING ============== 9843.56 LDB: Largest compute 4772 load 0.028322 is 24.0% of average load 0.118163 LDB: Average compute 0.001735 is 1.5% of average load 0.118163 LDB: TIME 9843.56 LOAD: AVG 0.118163 MAX 0.196237 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.344 MB LDB: TIME 9843.56 LOAD: AVG 0.118163 MAX 0.196237 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.344 MB LDB: TIME 9843.56 LOAD: AVG 0.118163 MAX 0.196237 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.344 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9843.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9843.56 PRESSURE: 3304400 -101.758 -100.88 78.9583 -100.88 -54.4112 12.7894 78.9587 12.7897 -9.41698 GPRESSURE: 3304400 -102.919 -107.234 43.6308 -134.358 7.89209 39.6692 35.7855 -12.8959 17.4969 PRESSAVG: 3304400 23.9541 -42.7859 -28.1417 -42.7859 -24.9611 -19.2502 -28.1417 -19.2501 19.416 GPRESSAVG: 3304400 23.4391 -42.4275 -26.7386 -41.6539 -24.2009 -16.4765 -29.3505 -23.3023 19.2048 TIMING: 3304400 CPU: 9840.31, 0.00301761/step Wall: 9840.31, 0.00301761/step, 1.42129 hours remaining, 207.113281 MB of memory in use. ENERGY: 3304400 782.8250 2052.6464 1949.6637 113.0554 -206321.7247 17815.5406 0.0000 0.0000 34118.6914 -149489.3022 297.9670 -183607.9936 -149401.9195 297.8721 -55.1955 -25.8435 557796.1048 6.1363 6.1477 PRESSURE: 3304600 84.7158 68.9707 -5.70638 68.9715 124.322 -69.7907 -5.70608 -69.7899 193.015 GPRESSURE: 3304600 104.6 164.731 90.8464 41.2394 191.988 -102.407 -67.4733 -153.282 210.39 PRESSAVG: 3304600 -25.4158 37.5856 29.0698 37.5857 -1.54213 8.7522 29.0699 8.75213 9.81172 GPRESSAVG: 3304600 -26.5721 35.0821 30.3484 38.7105 -1.28488 8.27406 29.3596 9.27978 10.3492 TIMING: 3304600 CPU: 9840.9, 0.00294902/step Wall: 9840.9, 0.00294902/step, 1.38882 hours remaining, 207.113281 MB of memory in use. ENERGY: 3304600 751.7363 2050.1905 1934.4768 103.8140 -206385.5038 18039.6899 0.0000 0.0000 33879.7731 -149625.8232 295.8805 -183505.5963 -149528.4721 297.9584 134.0175 168.9927 555659.3407 -5.7154 -5.8359 PRESSURE: 3304800 -219.739 115.833 -26.0029 115.833 -181.515 15.4102 -26.0037 15.4093 -511.601 GPRESSURE: 3304800 -192.017 132.154 -60.9201 69.9226 -200.215 37.2805 -7.78466 -12.5557 -434.962 PRESSAVG: 3304800 3.03033 35.7255 -29.8045 35.7255 79.7324 20.6333 -29.8045 20.6332 -64.4639 GPRESSAVG: 3304800 3.53887 38.1072 -29.7039 34.1561 78.0429 20.2787 -29.5925 20.3026 -63.8524 TIMING: 3304800 CPU: 9841.49, 0.00295349/step Wall: 9841.49, 0.00295349/step, 1.39077 hours remaining, 207.113281 MB of memory in use. ENERGY: 3304800 771.8722 2133.7868 1901.5689 101.2776 -205739.1326 17352.5871 0.0000 0.0000 34047.8635 -149430.1765 297.3485 -183478.0400 -149343.5385 298.5910 -304.2847 -275.7314 556032.7295 6.0996 5.9098 PRESSURE: 3305000 194.355 68.8122 110.792 68.8129 49.431 14.4471 110.792 14.446 123.772 GPRESSURE: 3305000 199.483 -4.07428 118.255 88.3815 155.288 52.4811 -23.3086 -13.9206 115.759 PRESSAVG: 3305000 37.4212 46.8857 -10.7881 46.8857 30.051 47.1491 -10.7881 47.1491 16.6937 GPRESSAVG: 3305000 38.1392 46.6575 -9.16319 47.232 31.7027 49.4984 -11.5356 45.632 13.9937 TIMING: 3305000 CPU: 9842.09, 0.00299049/step Wall: 9842.09, 0.00299049/step, 1.40802 hours remaining, 207.113281 MB of memory in use. ENERGY: 3305000 708.9184 2075.9491 1930.2840 102.4039 -206177.6196 17773.1057 0.0000 0.0000 34336.8124 -149250.1461 299.8719 -183586.9585 -149150.6921 299.6824 122.5194 156.8436 556146.0550 28.0553 27.9452 PRESSURE: 3305200 126.176 -25.962 82.3375 -25.9621 -124.388 -19.8223 82.3387 -19.8227 17.2838 GPRESSURE: 3305200 145.729 -59.2259 119.573 -26.5427 -125.829 -0.93724 62.8913 16.1281 68.0238 PRESSAVG: 3305200 7.91266 25.8661 -13.1817 25.8661 -3.35677 -26.4869 -13.1817 -26.487 -16.5941 GPRESSAVG: 3305200 7.39309 27.1185 -14.3781 24.5873 -4.24117 -26.9145 -12.6656 -24.4596 -14.9249 TIMING: 3305200 CPU: 9842.69, 0.0029906/step Wall: 9842.69, 0.0029906/step, 1.40791 hours remaining, 207.113281 MB of memory in use. ENERGY: 3305200 734.3838 2050.3856 1910.8643 100.1901 -206178.3580 17806.6163 0.0000 0.0000 34474.9830 -149100.9349 301.0786 -183575.9179 -149000.0011 299.5607 6.3575 29.3079 557060.0324 -4.0127 -3.9243 PRESSURE: 3305400 -156.392 -59.9891 -45.333 -59.9879 -7.25411 -66.4448 -45.3336 -66.4438 -69.3159 GPRESSURE: 3305400 -129.544 58.0748 -10.9124 -59.9733 -3.64657 -19.2245 -68.9217 -128.461 -9.39396 PRESSAVG: 3305400 -0.986143 48.8064 -34.5804 48.8065 -32.9673 -18.3691 -34.5804 -18.3693 53.5658 GPRESSAVG: 3305400 -0.237344 48.8169 -34.4161 48.2624 -32.8692 -19.4161 -34.1515 -20.0968 52.9277 TIMING: 3305400 CPU: 9843.28, 0.00295689/step Wall: 9843.28, 0.00295689/step, 1.39187 hours remaining, 207.113281 MB of memory in use. ENERGY: 3305400 739.6871 2051.1192 1925.8355 100.1183 -206032.2534 17622.7070 0.0000 0.0000 34333.9321 -149258.8543 299.8468 -183592.7864 -149159.8551 299.5365 -77.6541 -47.5282 555848.2403 6.5374 6.6070 PRESSURE: 3305600 -81.5001 57.4513 -38.0454 57.4519 -46.4716 53.442 -38.0439 53.4434 -127.075 GPRESSURE: 3305600 -39.9906 53.8617 -56.6423 92.6614 7.10609 70.5525 -78.08 -2.54576 -127.488 PRESSAVG: 3305600 -1.33386 -14.4153 -32.525 -14.4153 -26.1774 5.64399 -32.5251 5.64413 -0.951295 GPRESSAVG: 3305600 -1.74842 -15.0053 -33.0374 -14.5565 -26.079 3.96522 -31.4677 7.72554 -0.524292 TIMING: 3305600 CPU: 9843.87, 0.00295124/step Wall: 9843.87, 0.00295124/step, 1.38905 hours remaining, 207.113281 MB of memory in use. ENERGY: 3305600 748.4069 2079.1097 1930.7421 108.9710 -205844.7457 17592.6290 0.0000 0.0000 34083.8415 -149301.0456 297.6627 -183384.8871 -149199.7335 299.1387 -85.0156 -53.4574 556555.4363 -9.4875 -9.4506 PRESSURE: 3305800 -118.014 75.901 -44.9755 75.9025 -14.2937 -32.8661 -44.9756 -32.867 -18.1112 GPRESSURE: 3305800 -67.0293 90.3873 -75.0682 126.349 49.7692 56.4035 -10.5687 -83.7691 -32.8109 PRESSAVG: 3305800 16.2734 15.483 -17.8959 15.483 58.1341 2.76611 -17.8959 2.76627 -48.3547 GPRESSAVG: 3305800 16.8267 16.8591 -18.1889 16.9293 58.0426 5.23036 -18.4734 0.687025 -49.1106 TIMING: 3305800 CPU: 9844.46, 0.00295053/step Wall: 9844.46, 0.00295053/step, 1.38855 hours remaining, 207.113281 MB of memory in use. ENERGY: 3305800 757.3321 2164.3901 1903.4033 112.5104 -206494.7360 17850.3005 0.0000 0.0000 34299.1428 -149407.6567 299.5429 -183706.7996 -149310.4435 299.1745 -50.1397 -16.6903 556418.7221 8.6843 8.5862 PRESSURE: 3306000 -98.5536 17.4513 129.597 17.4502 243.214 108.178 129.598 108.178 -13.1509 GPRESSURE: 3306000 -86.5908 49.2148 36.6445 -18.2664 313.302 91.5826 146.734 69.0439 -0.596825 PRESSAVG: 3306000 -52.8943 10.0383 25.3899 10.0382 64.2868 -10.1929 25.3898 -10.193 -3.06942 GPRESSAVG: 3306000 -53.2276 9.30938 25.8978 10.047 64.9107 -11.5473 25.8522 -9.64728 -3.45082 TIMING: 3306000 CPU: 9845.06, 0.00297393/step Wall: 9845.06, 0.00297393/step, 1.3994 hours remaining, 207.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3306000 779.5875 2062.2854 1918.7491 118.1509 -206328.9172 17941.0681 0.0000 0.0000 34179.1782 -149329.8980 298.4953 -183509.0762 -149233.0879 299.1048 43.8365 75.3715 555243.5099 2.7744 2.7441 PRESSURE: 3306200 14.8151 -65.5746 -97.8831 -65.5741 29.9741 5.12417 -97.8812 5.12546 67.9409 GPRESSURE: 3306200 82.9508 -111.155 -135.865 -78.6899 92.8848 -9.43259 -110.104 -5.80421 50.5472 PRESSAVG: 3306200 -27.2156 2.49054 -10.0142 2.49054 33.2802 -13.3743 -10.0142 -13.3742 12.7235 GPRESSAVG: 3306200 -26.41 1.96738 -9.4143 2.1423 33.3708 -11.5989 -8.68832 -11.858 11.8608 TIMING: 3306200 CPU: 9845.65, 0.00297253/step Wall: 9845.65, 0.00297253/step, 1.39858 hours remaining, 207.113281 MB of memory in use. ENERGY: 3306200 758.7989 2101.1162 1950.5427 107.1200 -206512.8269 17995.3981 0.0000 0.0000 34186.9085 -149412.9426 298.5628 -183599.8511 -149320.3893 298.2983 37.5767 75.4609 555916.0606 6.2627 6.2739 PRESSURE: 3306400 -43.8445 35.7771 -90.2476 35.7759 15.9087 -120.073 -90.248 -120.073 -183.526 GPRESSURE: 3306400 -21.6612 13.5359 -104.213 -2.95829 12.0182 -69.1224 -82.5413 -144.854 -108.694 PRESSAVG: 3306400 -61.9101 -21.0757 -18.1087 -21.0757 0.589759 -16.4996 -18.1087 -16.4996 -0.0171977 GPRESSAVG: 3306400 -62.3609 -19.855 -18.0622 -21.8371 -0.3282 -15.7295 -21.6198 -17.4459 1.33838 TIMING: 3306400 CPU: 9846.24, 0.00295187/step Wall: 9846.24, 0.00295187/step, 1.38869 hours remaining, 207.113281 MB of memory in use. ENERGY: 3306400 732.9831 2040.6610 1948.5721 116.2774 -206377.3446 17803.1696 0.0000 0.0000 34353.8943 -149381.7871 300.0211 -183735.6814 -149278.4253 298.9961 -70.4873 -39.4458 557861.6051 -20.4459 -20.4503 PRESSURE: 3306600 -99.4958 -41.9031 78.4705 -41.9032 -202.856 42.3292 78.4712 42.3292 -157.741 GPRESSURE: 3306600 -23.1159 0.0652307 28.8336 -48.658 -171.954 78.0179 27.854 52.428 -177.44 PRESSAVG: 3306600 52.2883 -25.6026 33.1715 -25.6027 5.12281 11.7343 33.1715 11.7342 -25.2234 GPRESSAVG: 3306600 51.7113 -26.0117 37.2113 -24.5076 5.43148 9.75001 32.325 10.6454 -24.9005 TIMING: 3306600 CPU: 9846.83, 0.00294593/step Wall: 9846.83, 0.00294593/step, 1.38573 hours remaining, 207.113281 MB of memory in use. ENERGY: 3306600 734.0734 2102.0982 1941.5022 125.6618 -206052.7273 17707.1113 0.0000 0.0000 34051.6853 -149390.5952 297.3818 -183442.2805 -149296.5141 299.4782 -153.3643 -124.1700 557444.2619 10.7292 10.7474 PRESSURE: 3306800 163.951 -90.2715 220.483 -90.2716 -0.687689 44.9356 220.484 44.9347 90.9752 GPRESSURE: 3306800 195.589 -53.1026 179.575 -77.0099 53.9912 35.7019 241.85 3.72261 98.1055 PRESSAVG: 3306800 -17.1043 -81.0193 0.33094 -81.0192 46.565 32.4899 0.33108 32.4898 1.28897 GPRESSAVG: 3306800 -17.3283 -81.1425 -5.35365 -83.0532 47.5201 33.9142 3.47734 32.4045 0.663994 TIMING: 3306800 CPU: 9847.42, 0.00293648/step Wall: 9847.42, 0.00293648/step, 1.38113 hours remaining, 207.113281 MB of memory in use. ENERGY: 3306800 756.0392 2116.3135 1931.0215 118.5692 -206520.8275 18039.3348 0.0000 0.0000 34263.5311 -149296.0181 299.2319 -183559.5492 -149206.9288 299.0770 84.7461 115.8954 557905.9708 10.2499 10.2853 PRESSURE: 3307000 -117.464 59.7334 -125.921 59.7335 -134.496 134.793 -125.923 134.793 51.7659 GPRESSURE: 3307000 -57.9486 91.4702 -134.662 58.515 -116.16 68.1859 -136.181 149.481 63.3488 PRESSAVG: 3307000 6.71843 -29.6052 -51.5643 -29.6052 19.8484 42.46 -51.5644 42.46 25.7271 GPRESSAVG: 3307000 8.38092 -31.6701 -48.3184 -26.8782 17.999 41.6172 -52.9375 42.9357 25.637 TIMING: 3307000 CPU: 9848.01, 0.00295015/step Wall: 9848.01, 0.00295015/step, 1.38739 hours remaining, 207.113281 MB of memory in use. ENERGY: 3307000 748.3609 2078.7314 1899.8840 121.1950 -206117.2099 17699.2716 0.0000 0.0000 34296.4915 -149273.2755 299.5198 -183569.7669 -149180.6811 298.7749 -66.7315 -36.9200 558349.0767 17.4313 17.3390 PRESSURE: 3307200 -486.328 -110.361 -135.217 -110.362 -34.6898 25.48 -135.217 25.4799 -432.984 GPRESSURE: 3307200 -481.962 -15.0448 -212.645 -108.057 0.219105 40.7809 33.1267 -14.0226 -375.48 PRESSAVG: 3307200 -73.8767 -25.4398 -17.6505 -25.4398 60.5365 69.704 -17.6505 69.704 16.126 GPRESSAVG: 3307200 -75.2385 -24.8618 -20.989 -26.3426 61.2688 70.3067 -16.7409 69.4757 16.8844 TIMING: 3307200 CPU: 9848.6, 0.00294699/step Wall: 9848.6, 0.00294699/step, 1.38574 hours remaining, 207.113281 MB of memory in use. ENERGY: 3307200 762.5420 2046.7702 1949.0737 114.5532 -205766.5163 17396.2741 0.0000 0.0000 34297.1606 -149200.1425 299.5256 -183497.3031 -149102.1205 299.2844 -318.0005 -285.7412 558294.4877 0.9286 0.9715 PRESSURE: 3307400 -125.443 -147.942 53.2681 -147.942 -189.613 124.243 53.2672 124.243 -188.275 GPRESSURE: 3307400 -149.691 -154.623 10.7993 -142.726 -161.341 50.1549 100.973 107.535 -100.929 PRESSAVG: 3307400 30.4176 -21.18 34.9644 -21.18 12.6382 46.4083 34.9644 46.4083 -90.1955 GPRESSAVG: 3307400 30.6538 -20.8703 36.4564 -20.9612 13.4156 44.8239 36.0944 46.6074 -91.0603 TIMING: 3307400 CPU: 9849.19, 0.00296283/step Wall: 9849.19, 0.00296283/step, 1.39303 hours remaining, 207.113281 MB of memory in use. ENERGY: 3307400 763.2664 2126.1084 1936.4345 118.7404 -205775.7391 17460.9822 0.0000 0.0000 34208.1943 -149162.0128 298.7487 -183370.2072 -149060.9628 299.3845 -167.7770 -137.3204 557392.7023 -15.7132 -15.6636 PRESSURE: 3307600 47.9293 85.3988 -99.0962 85.3982 -112.547 140.552 -99.0975 140.551 -314.88 GPRESSURE: 3307600 61.4035 126.921 -93.8292 65.2404 -72.9343 143.115 -76.3005 118.194 -265.676 PRESSAVG: 3307600 20.4229 -17.5475 -20.1483 -17.5475 -45.7053 78.6757 -20.1483 78.6757 11.6462 GPRESSAVG: 3307600 20.6114 -15.7724 -21.4516 -17.0985 -44.7922 79.9206 -22.2756 80.1363 10.4484 TIMING: 3307600 CPU: 9849.78, 0.0029432/step Wall: 9849.78, 0.0029432/step, 1.38363 hours remaining, 207.113281 MB of memory in use. ENERGY: 3307600 750.2896 2158.9486 1925.8761 130.6919 -206062.9847 17552.1158 0.0000 0.0000 34369.2134 -149175.8495 300.1549 -183545.0628 -149083.6853 299.9259 -126.4991 -92.4021 556173.5405 -4.5454 -4.5775 PRESSURE: 3307800 264.533 -105.698 -53.4424 -105.698 -120.631 127.961 -53.4439 127.961 -301.908 GPRESSURE: 3307800 304.733 55.3158 45.8711 -184.387 -111.932 135.458 -104.046 132.883 -247.912 PRESSAVG: 3307800 86.5611 45.4966 20.0956 45.4967 9.31478 67.9475 20.0955 67.9474 -102.832 GPRESSAVG: 3307800 86.983 46.2673 21.4052 42.7472 8.13097 69.282 21.1354 66.373 -101.451 TIMING: 3307800 CPU: 9850.37, 0.00294725/step Wall: 9850.37, 0.00294725/step, 1.38537 hours remaining, 207.113281 MB of memory in use. ENERGY: 3307800 773.6175 2112.3004 1913.7211 123.3239 -205828.5096 17623.4231 0.0000 0.0000 34201.5615 -149080.5619 298.6907 -183282.1235 -148982.1715 299.9743 -52.6685 -18.3703 557650.3463 -2.3186 -2.1125 PRESSURE: 3308000 -137.543 62.0432 59.6798 62.0439 -74.3124 0.455615 59.6807 0.4532 29.901 GPRESSURE: 3308000 -194.856 82.9251 79.9822 -67.9275 41.5273 44.0725 49.23 -50.1331 66.164 PRESSAVG: 3308000 0.781751 20.1703 6.78055 20.1703 -15.8812 5.21912 6.78068 5.21915 58.2254 GPRESSAVG: 3308000 0.645902 17.1961 7.15481 22.8953 -15.8276 4.56967 6.94481 4.50255 58.3177 TIMING: 3308000 CPU: 9850.96, 0.00294991/step Wall: 9850.96, 0.00294991/step, 1.38646 hours remaining, 207.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3308000 798.7940 2087.4783 1915.8445 109.5385 -206070.5531 17726.7084 0.0000 0.0000 34408.4201 -149023.7694 300.4973 -183432.1895 -148928.0101 300.4129 -60.6514 -29.0550 556088.2038 14.3753 14.3787 PRESSURE: 3308200 -17.2742 142.196 -61.417 142.197 97.9059 141.896 -61.4177 141.896 94.0624 GPRESSURE: 3308200 25.9855 147.628 -52.1405 213.995 131.792 203.301 -59.3766 187.545 119.363 PRESSAVG: 3308200 41.6592 11.6929 -5.25924 11.6929 13.0125 5.08084 -5.25926 5.08079 -24.0273 GPRESSAVG: 3308200 40.4312 11.969 -5.68658 11.0121 14.6677 6.8407 -4.44001 5.23537 -24.2908 TIMING: 3308200 CPU: 9851.55, 0.00294718/step Wall: 9851.55, 0.00294718/step, 1.38501 hours remaining, 207.113281 MB of memory in use. ENERGY: 3308200 753.5197 2107.1384 1930.6703 122.0216 -206104.6728 17834.8369 0.0000 0.0000 34216.9943 -149139.4916 298.8255 -183356.4859 -149042.6405 300.2172 58.2314 92.3801 556657.7137 10.2148 10.2694 LDB: ============= START OF LOAD BALANCING ============== 9855.09 LDB: ============== END OF LOAD BALANCING =============== 9855.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9855.09 LDB: ============= START OF LOAD BALANCING ============== 9855.39 LDB: Largest compute 4772 load 0.025905 is 21.9% of average load 0.118146 LDB: Average compute 0.001724 is 1.5% of average load 0.118146 LDB: TIME 9855.39 LOAD: AVG 0.118146 MAX 0.194926 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.406 MB LDB: TIME 9855.39 LOAD: AVG 0.118146 MAX 0.194926 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.406 MB LDB: TIME 9855.39 LOAD: AVG 0.118146 MAX 0.194926 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.406 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9855.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9855.39 PRESSURE: 3308400 -113.28 -23.1792 58.7046 -23.1796 -165.67 44.5898 58.7043 44.5884 -184.651 GPRESSURE: 3308400 -71.1308 -62.2627 35.6546 13.5615 -110.132 56.6573 44.0109 120.577 -184.715 PRESSAVG: 3308400 -47.6584 68.5321 29.9325 68.5321 49.0608 -6.98142 29.9325 -6.98147 -24.7267 GPRESSAVG: 3308400 -47.5133 67.899 30.4949 69.9698 48.1697 -6.98294 27.4966 -5.55724 -24.6239 TIMING: 3308400 CPU: 9852.14, 0.00297833/step Wall: 9852.14, 0.00297833/step, 1.39948 hours remaining, 206.605469 MB of memory in use. ENERGY: 3308400 758.5280 2082.5017 1953.6209 129.2837 -205787.9118 17494.9060 0.0000 0.0000 34203.5160 -149165.5555 298.7078 -183369.0715 -149074.6724 299.7756 -154.5336 -121.9926 558291.1140 -7.7748 -7.9892 PRESSURE: 3308600 267.03 -67.7482 103.336 -67.7484 -234.409 180.061 103.336 180.062 99.6296 GPRESSURE: 3308600 258.12 -35.5024 106.058 -54.0737 -158.017 105.13 77.5037 244.584 134.305 PRESSAVG: 3308600 -40.3944 -39.8905 -8.2777 -39.8905 -21.6121 18.0394 -8.27775 18.0396 30.3197 GPRESSAVG: 3308600 -40.698 -39.4911 -9.49396 -40.7367 -20.8336 17.2833 -6.60424 15.3154 30.1095 TIMING: 3308600 CPU: 9852.73, 0.00293695/step Wall: 9852.73, 0.00293695/step, 1.37988 hours remaining, 206.605469 MB of memory in use. ENERGY: 3308600 739.8255 2144.1162 1930.9733 106.1259 -206278.0637 17798.3197 0.0000 0.0000 34231.9157 -149326.7875 298.9558 -183558.7031 -149230.0527 299.3256 44.0836 78.1359 557238.7159 -10.5623 -10.4740 PRESSURE: 3308800 26.4088 45.4551 -192.914 45.4545 -115.822 127.546 -192.917 127.546 19.9952 GPRESSURE: 3308800 55.6325 84.4976 -203.873 -16.709 -56.1305 112.44 -133.848 125.699 36.4781 PRESSAVG: 3308800 52.9316 18.9764 -4.86317 18.9765 -8.16794 61.2896 -4.86309 61.2895 -9.83377 GPRESSAVG: 3308800 53.4545 19.4013 -5.1852 17.2539 -9.27353 58.7229 -4.48808 63.9009 -9.39216 TIMING: 3308800 CPU: 9853.32, 0.00293257/step Wall: 9853.32, 0.00293257/step, 1.37766 hours remaining, 206.605469 MB of memory in use. ENERGY: 3308800 768.3065 2102.8331 1970.2473 111.5570 -206286.4270 17733.5973 0.0000 0.0000 34218.8148 -149381.0711 298.8414 -183599.8859 -149286.4104 299.3589 -23.1394 11.9934 556761.4439 11.6433 11.5963 PRESSURE: 3309000 -3.89262 -1.21496 -115.796 -1.21397 -205.201 -11.1029 -115.795 -11.1014 -314.296 GPRESSURE: 3309000 57.8104 66.0881 -45.9933 71.6765 -216.152 -131.784 -100.975 48.3069 -284.822 PRESSAVG: 3309000 82.8768 7.76408 46.4263 7.76407 -34.2449 17.1319 46.4264 17.1321 -40.0031 GPRESSAVG: 3309000 83.5857 8.86565 48.9705 9.34172 -34.6258 19.156 45.4287 15.2861 -40.0375 TIMING: 3309000 CPU: 9853.9, 0.00292313/step Wall: 9853.9, 0.00292313/step, 1.37306 hours remaining, 206.605469 MB of memory in use. ENERGY: 3309000 763.8260 2034.1270 1925.2383 116.1186 -205798.8415 17480.0387 0.0000 0.0000 34413.8843 -149065.6086 300.5450 -183479.4929 -148971.7084 299.5209 -174.4633 -147.7214 556428.2406 2.8762 2.9741 PRESSURE: 3309200 60.4523 -130.936 10.0442 -130.937 68.1516 91.9599 10.0449 91.9598 247.804 GPRESSURE: 3309200 153.679 -158.702 23.2747 -106.293 114.342 132.836 16.2179 52.4009 186.694 PRESSAVG: 3309200 50.9017 10.4871 13.4081 10.4872 -23.6293 95.9574 13.4081 95.9574 -28.8193 GPRESSAVG: 3309200 50.2263 10.2931 12.8998 9.74744 -22.9184 94.9231 13.6943 95.6559 -28.6861 TIMING: 3309200 CPU: 9854.49, 0.00295337/step Wall: 9854.49, 0.00295337/step, 1.3871 hours remaining, 206.605469 MB of memory in use. ENERGY: 3309200 814.2593 2121.5018 1925.4276 124.5818 -206633.3644 17994.6907 0.0000 0.0000 34617.4432 -149035.4598 302.3227 -183652.9030 -148939.9873 299.8417 125.4693 151.5717 556946.7975 -0.5156 -0.4594 PRESSURE: 3309400 -40.4638 41.0328 35.4697 41.0326 -32.9821 84.8011 35.4711 84.8008 165.772 GPRESSURE: 3309400 66.3834 45.5367 65.7984 14.59 -20.4184 72.7748 15.8573 37.9143 144.561 PRESSAVG: 3309400 19.1139 -8.01511 24.1716 -8.01508 40.0693 69.9174 24.1716 69.9175 -44.9704 GPRESSAVG: 3309400 20.6365 -9.13589 25.2727 -8.39083 38.9804 70.2492 23.5919 69.2734 -45.5732 TIMING: 3309400 CPU: 9855.09, 0.0029728/step Wall: 9855.09, 0.0029728/step, 1.39606 hours remaining, 206.605469 MB of memory in use. ENERGY: 3309400 745.6507 2125.4815 1938.0811 111.1942 -205942.1825 17792.9316 0.0000 0.0000 34210.5094 -149018.3340 298.7689 -183228.8434 -148924.8450 300.1426 30.7755 63.5087 556650.8463 4.7376 4.6813 PRESSURE: 3309600 8.9868 17.5888 18.2771 17.5906 -3.96741 11.6488 18.2763 11.6485 65.9395 GPRESSURE: 3309600 47.9798 -9.70321 -57.2134 58.8134 45.2181 33.5763 44.393 119.092 84.2008 PRESSAVG: 3309600 31.513 -20.1276 36.6796 -20.1275 10.6825 27.8873 36.6797 27.8873 8.0283 GPRESSAVG: 3309600 30.9653 -19.9906 34.3615 -18.0833 11.6088 27.5105 37.777 30.2878 8.35872 TIMING: 3309600 CPU: 9855.68, 0.00295555/step Wall: 9855.68, 0.00295555/step, 1.38779 hours remaining, 206.644531 MB of memory in use. ENERGY: 3309600 755.7586 2098.8489 1927.0467 118.8553 -205901.8069 17725.8958 0.0000 0.0000 34336.1179 -148939.2838 299.8659 -183275.4017 -148840.0003 299.8375 23.6530 59.1329 556446.8700 16.7413 16.9776 PRESSURE: 3309800 -76.1252 73.454 -3.38548 73.4545 87.7997 102.235 -3.38647 102.235 -182.778 GPRESSURE: 3309800 -34.9389 175.103 -79.3872 70.0235 89.3442 91.0282 45.3677 49.055 -145.658 PRESSAVG: 3309800 0.498522 4.29115 -6.6923 4.29121 -37.3136 22.5076 -6.69225 22.5076 17.2278 GPRESSAVG: 3309800 -0.0242054 4.58352 -4.60444 1.25265 -37.8937 23.4628 -9.18435 21.3575 17.6347 TIMING: 3309800 CPU: 9856.27, 0.00293941/step Wall: 9856.27, 0.00293941/step, 1.38005 hours remaining, 206.644531 MB of memory in use. ENERGY: 3309800 759.3339 2151.8381 1932.0365 111.8079 -206037.1508 17666.6074 0.0000 0.0000 34332.4541 -149083.0729 299.8339 -183415.5270 -148992.5087 299.9884 -57.0345 -30.4176 558812.7348 -6.5291 -6.7611 PRESSURE: 3310000 -24.2024 -160.974 -73.9273 -160.975 -221.308 115.27 -73.9267 115.269 -226.169 GPRESSURE: 3310000 7.97275 -182.52 -87.2218 -132.765 -156.725 87.1956 -45.9246 93.3865 -218.737 PRESSAVG: 3310000 84.5262 -8.79082 -72.2037 -8.79082 -7.88809 -28.0827 -72.2037 -28.0825 -33.1164 GPRESSAVG: 3310000 84.1996 -8.54189 -72.9228 -5.65958 -8.43278 -27.6177 -70.6802 -27.958 -32.0743 TIMING: 3310000 CPU: 9856.85, 0.00293573/step Wall: 9856.85, 0.00293573/step, 1.37816 hours remaining, 206.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3310000 796.9636 2140.8303 1948.0384 114.6066 -206262.7850 17961.3912 0.0000 0.0000 34261.6967 -149039.2581 299.2159 -183300.9549 -148940.0118 299.6566 -157.2265 -122.4966 559283.6998 14.5072 14.5642 PRESSURE: 3310200 -146.067 86.6527 -96.1394 86.6533 -45.5839 9.97958 -96.1394 9.98028 -256.962 GPRESSURE: 3310200 -138.808 63.839 -191.995 168.741 24.6794 17.515 -27.6519 -37.3156 -231.658 PRESSAVG: 3310200 -25.9493 28.4198 -62.4841 28.4198 -21.6058 -37.372 -62.4841 -37.372 1.3168 GPRESSAVG: 3310200 -26.415 28.4029 -62.8952 27.485 -20.7912 -38.093 -64.9235 -36.3656 1.01816 TIMING: 3310200 CPU: 9857.44, 0.00294356/step Wall: 9857.44, 0.00294356/step, 1.38167 hours remaining, 206.644531 MB of memory in use. ENERGY: 3310200 802.4925 2071.1690 1919.0974 120.6811 -206259.3544 17696.5240 0.0000 0.0000 34459.3311 -149190.0592 300.9419 -183649.3904 -149090.4472 299.3280 -149.5378 -115.2621 557245.6918 -15.4128 -15.3960 PRESSURE: 3310400 -306.438 -63.7634 122.174 -63.7646 -271.761 128.173 122.174 128.173 -201.306 GPRESSURE: 3310400 -260.547 -71.8097 106.441 -99.1303 -240.521 132.066 64.8296 81.3124 -181.453 PRESSAVG: 3310400 -19.2797 7.45711 -35.256 7.45706 -26.0438 23.7937 -35.2561 23.7937 36.4365 GPRESSAVG: 3310400 -17.372 6.71958 -34.8737 9.12632 -25.4705 24.6534 -33.3368 23.5579 33.317 TIMING: 3310400 CPU: 9858.03, 0.00292338/step Wall: 9858.03, 0.00292338/step, 1.37204 hours remaining, 206.644531 MB of memory in use. ENERGY: 3310400 717.3126 2100.0090 1987.7070 116.9712 -206057.4692 17572.0104 0.0000 0.0000 34362.0457 -149201.4134 300.0923 -183563.4591 -149103.8298 299.7562 -259.8346 -227.5071 559127.8312 -2.9624 -3.1752 PRESSURE: 3310600 84.1368 49.1103 -198.902 49.1104 196.475 -44.1708 -198.904 -44.1714 121.731 GPRESSURE: 3310600 119.396 102.808 -198.288 52.4375 231.307 -107.519 -217.042 8.66587 152.298 PRESSAVG: 3310600 -5.80758 -42.8924 -21.7087 -42.8925 -7.92507 -12.9149 -21.7086 -12.9147 18.1891 GPRESSAVG: 3310600 -7.34951 -42.7351 -19.4529 -43.0806 -7.19089 -14.4441 -23.7752 -13.144 18.8935 TIMING: 3310600 CPU: 9858.61, 0.00293321/step Wall: 9858.61, 0.00293321/step, 1.37649 hours remaining, 206.644531 MB of memory in use. ENERGY: 3310600 755.0603 2126.1900 1918.4014 110.5565 -206485.8887 18034.9176 0.0000 0.0000 34374.2280 -149166.5349 300.1987 -183540.7630 -149063.9653 298.9734 134.1141 167.6666 556655.2273 1.4855 1.4510 PRESSURE: 3310800 -222.418 89.9554 -225.946 89.9562 -49.3291 -68.4594 -225.948 -68.4595 -162.945 GPRESSURE: 3310800 -201.088 22.6044 -236.386 106.982 -8.19432 -44.2482 -195.729 -66.9891 -120.747 PRESSAVG: 3310800 -25.7845 44.3648 -62.7449 44.3648 15.2193 9.59411 -62.7448 9.59404 -17.1165 GPRESSAVG: 3310800 -24.7514 45.5821 -65.5654 41.1818 13.6012 7.47731 -61.2418 9.92347 -16.6612 TIMING: 3310800 CPU: 9859.2, 0.00293027/step Wall: 9859.2, 0.00293027/step, 1.37495 hours remaining, 206.644531 MB of memory in use. ENERGY: 3310800 729.5422 2105.2446 1929.7022 109.8958 -205857.6696 17532.3629 0.0000 0.0000 34278.2293 -149172.6926 299.3603 -183450.9218 -149069.4727 299.8388 -144.8976 -110.0097 557394.4629 -9.2272 -9.2705 PRESSURE: 3311000 -71.9645 236.72 -107.732 236.722 -166.605 -66.0769 -107.733 -66.0776 -114.826 GPRESSURE: 3311000 -45.1053 232.799 -64.0401 279.675 -155.941 -49.0496 -115.404 -84.446 -59.7489 PRESSAVG: 3311000 -23.247 36.5528 -90.0696 36.5527 4.12866 -42.6839 -90.0697 -42.6839 6.62199 GPRESSAVG: 3311000 -23.9722 35.9017 -90.4871 38.3521 4.39076 -40.0955 -90.4647 -43.2645 6.47415 TIMING: 3311000 CPU: 9859.79, 0.00292833/step Wall: 9859.79, 0.00292833/step, 1.37387 hours remaining, 206.644531 MB of memory in use. ENERGY: 3311000 757.9968 2138.9605 1921.1724 114.4855 -206037.5555 17776.5232 0.0000 0.0000 34257.4858 -149070.9312 299.1791 -183328.4170 -148975.7245 299.8377 -117.7984 -86.9318 557899.4810 -4.1655 -4.3691 PRESSURE: 3311200 8.22087 17.3042 225.654 17.3032 -61.7065 -72.4172 225.654 -72.4188 222.459 GPRESSURE: 3311200 43.6172 27.1305 213.085 -11.7777 7.0685 19.5992 242.983 -149.375 217.306 PRESSAVG: 3311200 7.52993 -14.316 -5.97661 -14.3159 -12.2341 33.9867 -5.97668 33.9867 -0.542947 GPRESSAVG: 3311200 6.19542 -14.8804 -5.87311 -13.3368 -11.0696 34.4435 -5.27863 33.7108 -0.115991 TIMING: 3311200 CPU: 9860.37, 0.00293741/step Wall: 9860.37, 0.00293741/step, 1.37797 hours remaining, 206.644531 MB of memory in use. ENERGY: 3311200 739.6431 2095.9082 1956.4960 108.0232 -206172.6913 17833.8658 0.0000 0.0000 34346.4153 -149092.3397 299.9558 -183438.7550 -148999.8639 300.5036 56.3245 89.3307 556487.6022 -1.7490 -1.6634 PRESSURE: 3311400 -131.92 4.55817 -219.308 4.55841 -16.9353 -60.2883 -219.309 -60.2878 47.5627 GPRESSURE: 3311400 -32.785 -22.678 -117.234 62.1121 -39.7485 -34.043 -205.829 35.3736 78.4595 PRESSAVG: 3311400 -81.7915 3.48346 -14.7475 3.48347 73.856 -3.27166 -14.7475 -3.27172 51.2279 GPRESSAVG: 3311400 -80.2157 3.21894 -14.7746 2.22712 72.8691 -5.36432 -13.6388 -4.04542 50.7258 TIMING: 3311400 CPU: 9860.96, 0.00293429/step Wall: 9860.96, 0.00293429/step, 1.37634 hours remaining, 206.644531 MB of memory in use. ENERGY: 3311400 757.0891 2102.1560 1935.8896 107.8377 -206024.7706 17726.4724 0.0000 0.0000 34173.0368 -149222.2892 298.4416 -183395.3260 -149124.8221 299.9124 -33.7641 1.9753 557577.7846 14.4308 14.4598 PRESSURE: 3311600 -84.8062 80.2304 114.034 80.2308 -54.8828 72.7094 114.033 72.7097 -2.34014 GPRESSURE: 3311600 -72.7684 67.6181 18.8115 18.299 -58.2343 28.2354 132.396 76.1328 89.5194 PRESSAVG: 3311600 -21.1488 31.8676 -8.66529 31.8677 45.2011 -29.3606 -8.66534 -29.3606 -12.341 GPRESSAVG: 3311600 -21.9114 33.4515 -11.3645 31.3195 46.4145 -28.0105 -7.69543 -26.7975 -12.3744 TIMING: 3311600 CPU: 9861.55, 0.00294444/step Wall: 9861.55, 0.00294444/step, 1.38094 hours remaining, 206.644531 MB of memory in use. ENERGY: 3311600 774.3349 2120.9406 1923.0302 109.7478 -206252.3940 17810.6411 0.0000 0.0000 34132.8936 -149380.8057 298.0910 -183513.6993 -149279.0048 298.9732 -47.3431 -13.8278 558383.1405 3.9038 4.0429 PRESSURE: 3311800 -40.972 107.338 1.51941 107.339 -91.8491 41.9111 1.52107 41.9097 -27.9332 GPRESSURE: 3311800 -8.98707 79.906 -42.5009 80.5486 -25.8529 102.723 23.9952 4.46765 -50.7355 PRESSAVG: 3311800 15.0255 81.8006 -16.3531 81.8006 -68.7475 32.5148 -16.353 32.5148 40.6984 GPRESSAVG: 3311800 14.8153 80.7678 -13.1286 80.8612 -69.4714 34.1064 -19.0025 29.5959 41.7177 TIMING: 3311800 CPU: 9862.14, 0.00294788/step Wall: 9862.14, 0.00294788/step, 1.38239 hours remaining, 206.644531 MB of memory in use. ENERGY: 3311800 772.7663 2097.9818 1924.4407 110.8744 -206275.4923 17661.7799 0.0000 0.0000 34391.4085 -149316.2407 300.3487 -183707.6492 -149217.2281 299.2512 -53.5848 -28.5251 557353.2533 -4.3412 -4.3128 PRESSURE: 3312000 -63.2206 -45.6114 138.257 -45.6107 -13.7185 32.2498 138.258 32.2501 87.7309 GPRESSURE: 3312000 -33.3927 -59.0792 184.346 -83.5008 53.3764 161.303 137.566 -47.5129 104.247 PRESSAVG: 3312000 22.5543 -11.2062 9.7269 -11.2062 -38.9651 41.341 9.72685 41.3408 41.8227 GPRESSAVG: 3312000 23.754 -11.1198 9.72189 -11.5083 -38.5364 41.4038 9.21899 40.2826 40.45 TIMING: 3312000 CPU: 9862.73, 0.00293926/step Wall: 9862.73, 0.00293926/step, 1.37819 hours remaining, 206.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3312000 755.7226 2122.5094 1931.8323 114.1968 -206802.7127 18077.6609 0.0000 0.0000 34467.6568 -149333.1339 301.0146 -183800.7908 -149229.1743 299.3910 3.5973 41.4103 557722.4222 8.4706 8.5559 PRESSURE: 3312200 -220.591 176.19 149.072 176.191 -137.448 119.058 149.071 119.059 -68.1241 GPRESSURE: 3312200 -151.374 116.167 64.9473 158.925 -162.103 91.5732 213.816 125.502 -8.38759 PRESSAVG: 3312200 54.0494 -24.4728 16.0647 -24.4727 -25.6867 -47.5505 16.0647 -47.5504 -41.9566 GPRESSAVG: 3312200 53.0208 -26.5425 15.9597 -23.3281 -25.4066 -49.1844 16.9103 -44.881 -41.1285 TIMING: 3312200 CPU: 9863.32, 0.00296813/step Wall: 9863.32, 0.00296813/step, 1.39156 hours remaining, 206.644531 MB of memory in use. ENERGY: 3312200 780.7543 2131.7099 1939.1560 122.0412 -206229.2666 17768.6551 0.0000 0.0000 34238.9388 -149248.0113 299.0172 -183486.9500 -149150.8918 299.2574 -142.0542 -107.2883 557825.3077 -4.5313 -4.5048 LDB: ============= START OF LOAD BALANCING ============== 9866.86 LDB: ============== END OF LOAD BALANCING =============== 9866.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9866.87 LDB: ============= START OF LOAD BALANCING ============== 9867.16 LDB: Largest compute 4801 load 0.026161 is 22.1% of average load 0.118267 LDB: Average compute 0.001727 is 1.5% of average load 0.118267 LDB: TIME 9867.16 LOAD: AVG 0.118267 MAX 0.196376 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 9867.16 LOAD: AVG 0.118267 MAX 0.196376 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.285 MB LDB: TIME 9867.16 LOAD: AVG 0.118267 MAX 0.196376 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.285 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9867.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9867.17 PRESSURE: 3312400 171.198 15.0864 64.6944 15.0859 195.439 -83.5178 64.6951 -83.5165 -264.493 GPRESSURE: 3312400 216.87 7.79769 115.302 -47.781 222.066 -83.6739 19.9521 36.3161 -249.531 PRESSAVG: 3312400 27.1134 1.24981 -12.9165 1.24984 34.1699 -8.57685 -12.9166 -8.57686 -17.8797 GPRESSAVG: 3312400 29.2071 3.51528 -14.7373 1.6627 33.17 -8.2365 -12.1959 -8.0773 -19.4364 TIMING: 3312400 CPU: 9863.92, 0.00299349/step Wall: 9863.92, 0.00299349/step, 1.40328 hours remaining, 206.742188 MB of memory in use. ENERGY: 3312400 760.0824 2052.8698 1943.7179 119.0154 -206773.3979 18167.8125 0.0000 0.0000 34215.9895 -149513.9104 298.8167 -183729.8999 -149414.0037 299.6261 34.0479 63.1351 558120.0101 14.4679 14.3136 PRESSURE: 3312600 -376.734 17.7964 -53.5499 17.7956 -157.405 155.27 -53.5507 155.271 -262.379 GPRESSURE: 3312600 -315.149 6.63867 -133.17 55.0954 -147.696 129.833 7.45017 120.333 -225.639 PRESSAVG: 3312600 -46.7866 34.8555 -67.4257 34.8555 26.9901 6.89939 -67.4258 6.89945 -43.1955 GPRESSAVG: 3312600 -47.4896 34.0939 -66.9426 34.7668 26.6918 8.69099 -66.8616 4.48259 -41.7353 TIMING: 3312600 CPU: 9864.51, 0.00293579/step Wall: 9864.51, 0.00293579/step, 1.37607 hours remaining, 206.742188 MB of memory in use. ENERGY: 3312600 754.7165 2101.2164 1917.3749 109.1373 -206147.7455 17456.8604 0.0000 0.0000 34222.4104 -149586.0296 298.8728 -183808.4400 -149494.7230 298.5558 -265.5059 -229.4946 556576.4143 -20.9973 -20.8443 PRESSURE: 3312800 80.6324 -61.431 -115.125 -61.4309 -252.172 -68.5796 -115.125 -68.5807 77.6785 GPRESSURE: 3312800 149.9 -39.8706 -40.4241 -99.019 -216.299 -45.4282 -42.8271 -56.507 70.7852 PRESSAVG: 3312800 90.3532 8.20996 10.6413 8.20993 -33.0568 1.78195 10.6414 1.78196 -33.4012 GPRESSAVG: 3312800 89.6608 6.57425 12.626 7.71275 -32.3341 0.0797752 10.1668 4.02284 -33.5528 TIMING: 3312800 CPU: 9865.09, 0.00292613/step Wall: 9865.09, 0.00292613/step, 1.37138 hours remaining, 206.742188 MB of memory in use. ENERGY: 3312800 748.9969 2097.7456 1947.1380 121.9272 -206274.9991 17738.0819 0.0000 0.0000 34224.0249 -149397.0846 298.8869 -183621.1095 -149300.6685 298.8171 -31.2871 1.4619 556961.0378 7.9651 7.9247 PRESSURE: 3313000 104.683 -81.9808 10.0604 -81.9801 -185.334 -128.456 10.061 -128.457 -198.944 GPRESSURE: 3313000 135.486 -6.0137 -8.8785 -141.102 -173.015 0.0576717 5.90295 -162.969 -152.863 PRESSAVG: 3313000 -19.38 -37.8462 -4.35051 -37.8463 0.895103 -44.6028 -4.35046 -44.603 6.40478 GPRESSAVG: 3313000 -18.3321 -34.5583 -5.01791 -38.3925 -0.133936 -44.7122 -2.7806 -44.7722 6.26663 TIMING: 3313000 CPU: 9865.68, 0.00292651/step Wall: 9865.68, 0.00292651/step, 1.37139 hours remaining, 206.742188 MB of memory in use. ENERGY: 3313000 710.2127 2062.3369 1938.8882 119.2167 -205999.8865 17553.7370 0.0000 0.0000 34264.1563 -149351.3388 299.2374 -183615.4950 -149250.4875 299.0808 -93.1983 -63.4639 558360.6998 -4.0267 -4.0665 PRESSURE: 3313200 211.587 -96.4446 -56.7607 -96.444 56.5459 135.377 -56.7601 135.378 -14.6356 GPRESSURE: 3313200 223.824 -121.793 -65.6794 -95.0816 80.7701 224.953 -104.758 13.7883 42.0254 PRESSAVG: 3313200 31.1759 4.2337 13.516 4.23368 44.6012 11.6724 13.516 11.6724 -42.9869 GPRESSAVG: 3313200 30.5835 3.58611 13.8529 3.95341 44.8415 12.4005 11.336 9.15529 -42.943 TIMING: 3313200 CPU: 9866.26, 0.00293034/step Wall: 9866.26, 0.00293034/step, 1.37303 hours remaining, 206.742188 MB of memory in use. ENERGY: 3313200 762.1026 2106.0451 1921.5189 96.2802 -206275.9467 17861.4061 0.0000 0.0000 34318.3566 -149210.2372 299.7107 -183528.5938 -149115.9049 299.5958 84.4990 115.5399 556489.2904 10.9301 10.8273 PRESSURE: 3313400 169.277 -123.387 62.3875 -123.386 -157.413 -156.627 62.3881 -156.627 -0.910098 GPRESSURE: 3313400 163.493 -102.856 90.6281 -52.741 -157.421 -162.005 48.8715 -157.771 98.7924 PRESSAVG: 3313400 9.67065 -16.3843 8.6219 -16.3844 -11.0866 35.4941 8.62194 35.494 -23.0049 GPRESSAVG: 3313400 10.526 -16.2953 7.47279 -17.0296 -11.3327 33.9251 10.7368 36.6393 -23.6015 TIMING: 3313400 CPU: 9866.85, 0.0029281/step Wall: 9866.85, 0.0029281/step, 1.37182 hours remaining, 206.742188 MB of memory in use. ENERGY: 3313400 747.8539 2069.7156 1923.7364 95.8109 -206067.8146 17703.9320 0.0000 0.0000 34367.9805 -149158.7853 300.1441 -183526.7658 -149057.8827 299.0447 3.6513 34.9547 556949.3284 -8.1403 -8.1360 PRESSURE: 3313600 -21.3684 4.96512 42.7492 4.96462 -30.8445 36.3226 42.7491 36.3247 65.0661 GPRESSURE: 3313600 64.5546 23.4596 -22.9453 63.4944 -14.2225 -37.1004 49.2182 45.4477 59.5883 PRESSAVG: 3313600 14.5275 26.9665 -43.4243 26.9665 -7.24502 57.3001 -43.4242 57.3001 -5.27995 GPRESSAVG: 3313600 12.9351 24.6135 -43.4596 30.2122 -5.94992 58.3461 -45.3839 59.1722 -5.36047 TIMING: 3313600 CPU: 9867.44, 0.00293814/step Wall: 9867.44, 0.00293814/step, 1.37636 hours remaining, 206.742188 MB of memory in use. ENERGY: 3313600 705.2361 2082.4881 1920.4151 114.1416 -206077.8024 17804.2133 0.0000 0.0000 34374.4046 -149076.9036 300.2002 -183451.3082 -148984.8617 299.5274 4.2844 36.6402 558588.0495 0.6675 0.5416 PRESSURE: 3313800 316.403 145.897 2.10219 145.896 -240.417 -31.2696 2.10253 -31.2696 164.552 GPRESSURE: 3313800 350.858 169.547 27.8872 61.3765 -207.801 -34.5868 -59.3052 92.7279 186.281 PRESSAVG: 3313800 43.8519 3.7537 -49.401 3.75371 -59.85 31.7353 -49.401 31.7353 31.7978 GPRESSAVG: 3313800 45.0046 5.13796 -49.2393 1.36533 -61.3234 32.6307 -49.2892 30.0721 32.0022 TIMING: 3313800 CPU: 9868.02, 0.00294396/step Wall: 9868.02, 0.00294396/step, 1.37892 hours remaining, 206.742188 MB of memory in use. ENERGY: 3313800 691.0895 2054.0326 1934.2091 107.8770 -206203.4991 17947.2589 0.0000 0.0000 34281.9309 -149187.1011 299.3926 -183469.0320 -149094.5406 298.9125 80.1791 109.7792 557949.5140 5.2666 5.2278 PRESSURE: 3314000 -18.1905 -42.5311 220.029 -42.5319 -36.827 -305.315 220.028 -305.315 -416.148 GPRESSURE: 3314000 40.0228 -30.112 137.488 -60.0223 -19.0479 -230.48 214.623 -326.463 -387.649 PRESSAVG: 3314000 57.6179 28.2759 -18.3671 28.2759 -15.2597 9.04248 -18.3671 9.04267 -59.8397 GPRESSAVG: 3314000 57.6058 28.4453 -18.1812 27.4617 -14.0938 10.7017 -18.5318 7.97108 -60.0605 TIMING: 3314000 CPU: 9868.61, 0.00295092/step Wall: 9868.61, 0.00295092/step, 1.38202 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3314000 745.3183 2092.4385 1903.1654 105.2412 -206014.5322 17679.1637 0.0000 0.0000 34258.2881 -149230.9170 299.1862 -183489.2051 -149137.3473 298.8712 -157.0553 -122.2245 558704.8359 -5.8271 -5.5162 PRESSURE: 3314200 -37.3928 14.6801 -164.817 14.6795 -85.6558 155.722 -164.816 155.722 97.8625 GPRESSURE: 3314200 -35.1492 51.6518 -206.979 8.61441 -28.702 137.655 -56.7237 110.173 139.485 PRESSAVG: 3314200 19.1356 27.6491 -5.82943 27.6492 68.0514 31.8925 -5.82939 31.8924 -41.8339 GPRESSAVG: 3314200 18.6253 29.0601 -5.38773 28.1871 69.7952 29.5982 -5.47736 31.5681 -42.6216 TIMING: 3314200 CPU: 9869.2, 0.0029386/step Wall: 9869.2, 0.0029386/step, 1.37608 hours remaining, 206.742188 MB of memory in use. ENERGY: 3314200 751.6179 2079.6238 1920.9692 106.1092 -206267.8065 17773.5497 0.0000 0.0000 34259.1544 -149376.7824 299.1937 -183635.9368 -149282.1383 298.8479 -8.3954 25.2114 557831.6489 15.1177 15.2663 PRESSURE: 3314400 248.047 46.5481 94.0797 46.5482 12.6079 -126.176 94.0792 -126.175 -69.9111 GPRESSURE: 3314400 238.593 55.0299 44.0118 44.8788 75.0254 -135.435 141.3 -178.783 -28.7567 PRESSAVG: 3314400 -22.4218 48.0168 -4.45616 48.0167 34.7669 64.996 -4.45618 64.996 16.0389 GPRESSAVG: 3314400 -23.6667 47.3069 -3.48009 49.3781 33.2111 65.0067 -3.41502 68.3608 18.5767 TIMING: 3314400 CPU: 9869.79, 0.00293391/step Wall: 9869.79, 0.00293391/step, 1.37372 hours remaining, 206.742188 MB of memory in use. ENERGY: 3314400 749.1500 2034.2609 1918.2062 117.8161 -206146.9785 17869.3035 0.0000 0.0000 34239.2919 -149218.9498 299.0203 -183458.2417 -149125.1286 298.8158 63.5813 94.9540 557465.5132 9.4613 9.3737 PRESSURE: 3314600 81.8208 -136.831 67.6451 -136.83 280.873 42.0203 67.6448 42.0198 263.147 GPRESSURE: 3314600 132.134 -161.286 82.7919 -150.321 220.08 76.3486 112.095 -119.949 374.433 PRESSAVG: 3314600 29.1738 5.39507 6.02281 5.39505 12.4371 -8.86999 6.02283 -8.87008 -17.6287 GPRESSAVG: 3314600 31.347 3.38756 6.15004 5.47407 11.9043 -7.76898 5.29598 -10.351 -18.5225 TIMING: 3314600 CPU: 9870.38, 0.00295647/step Wall: 9870.38, 0.00295647/step, 1.38412 hours remaining, 206.742188 MB of memory in use. ENERGY: 3314600 738.4228 2066.6580 1957.8843 126.6688 -206331.3444 18099.9701 0.0000 0.0000 34152.0485 -149189.6919 298.2583 -183341.7404 -149100.7592 298.8527 208.6138 242.2158 557214.6080 7.9940 8.2429 PRESSURE: 3314800 45.8666 81.6178 116.004 81.6189 -157.638 145.934 116.003 145.936 -113.772 GPRESSURE: 3314800 83.5003 38.9584 161.815 84.4427 -118.067 152.973 77.4445 174.382 -74.7828 PRESSAVG: 3314800 -23.0667 -13.0909 -13.8718 -13.0908 -73.6515 79.0791 -13.8719 79.0791 86.1844 GPRESSAVG: 3314800 -24.6341 -12.5512 -14.6199 -12.9443 -73.3786 76.0246 -14.3915 81.5075 87.163 TIMING: 3314800 CPU: 9870.97, 0.00294126/step Wall: 9870.97, 0.00294126/step, 1.37684 hours remaining, 206.742188 MB of memory in use. ENERGY: 3314800 748.8643 2025.9244 1941.1679 103.3365 -206134.2420 17890.3945 0.0000 0.0000 34171.5826 -149252.9719 298.4289 -183424.5545 -149149.6782 298.9178 -75.1811 -36.4497 557874.1567 -3.5113 -3.6166 PRESSURE: 3315000 4.67977 -16.7981 -126.994 -16.7967 276.224 160.129 -126.995 160.129 -79.8336 GPRESSURE: 3315000 20.6356 -4.58181 -149.271 8.05321 263.316 127.177 -155.838 137.413 -5.16205 PRESSAVG: 3315000 -7.76361 12.8628 -50.7658 12.8627 -45.1358 26.1556 -50.7658 26.1556 62.9485 GPRESSAVG: 3315000 -8.22403 10.4911 -49.5133 14.8757 -45.2586 27.7097 -51.3027 23.4847 63.5899 TIMING: 3315000 CPU: 9871.56, 0.0029651/step Wall: 9871.56, 0.0029651/step, 1.38783 hours remaining, 206.742188 MB of memory in use. ENERGY: 3315000 752.5685 2060.4603 1913.0139 125.9132 -206348.7051 17880.0699 0.0000 0.0000 34445.7051 -149170.9742 300.8229 -183616.6793 -149077.1155 299.5695 67.0235 92.9298 555987.9585 3.3497 3.3691 PRESSURE: 3315200 -132.907 -117.426 -49.6767 -117.425 244.041 -65.7783 -49.6763 -65.7783 18.3322 GPRESSURE: 3315200 -69.0263 -60.6991 -17.9412 -242.104 246.592 -127.958 -70.3183 11.3413 49.1082 PRESSAVG: 3315200 6.94463 39.0623 63.0994 39.0622 8.68311 -24.1361 63.0994 -24.1362 -9.2328 GPRESSAVG: 3315200 7.64897 39.9766 62.3269 37.1967 8.73925 -22.1544 63.6686 -26.1195 -10.2909 TIMING: 3315200 CPU: 9872.15, 0.00296084/step Wall: 9872.15, 0.00296084/step, 1.38567 hours remaining, 206.742188 MB of memory in use. ENERGY: 3315200 748.9040 2038.7359 1955.1584 118.6549 -206094.2958 17741.5296 0.0000 0.0000 34359.0822 -149132.2310 300.0664 -183491.3131 -149033.1313 299.6482 43.1554 75.5580 557354.7713 2.1316 2.0324 PRESSURE: 3315400 -153.654 -79.7422 96.7442 -79.7412 64.1386 24.8411 96.7454 24.8398 -160.919 GPRESSURE: 3315400 -153.798 -85.5721 29.3738 -2.59066 116.241 36.3657 120.674 5.56969 -126.486 PRESSAVG: 3315400 -38.4221 35.6282 56.333 35.6281 58.6519 -17.9343 56.333 -17.9342 -21.0643 GPRESSAVG: 3315400 -39.2845 36.4004 53.7027 35.5609 58.6898 -20.6877 58.4538 -14.3625 -20.3744 TIMING: 3315400 CPU: 9872.75, 0.00297255/step Wall: 9872.75, 0.00297255/step, 1.39099 hours remaining, 206.742188 MB of memory in use. ENERGY: 3315400 787.6402 2092.5487 1903.1754 102.6477 -206048.9593 17745.0490 0.0000 0.0000 34450.2396 -148967.6587 300.8625 -183417.8983 -148864.2706 300.1349 -83.4780 -54.6809 558656.5151 -0.2782 -0.3230 PRESSURE: 3315600 3.36515 132.192 0.0615756 132.19 -197.611 -98.3797 0.0625787 -98.3798 -3.88715 GPRESSURE: 3315600 38.8721 65.1597 -2.38302 121.644 -150.287 -37.4535 48.4161 -133.485 2.77627 PRESSAVG: 3315600 2.85255 -35.2721 45.2028 -35.2721 34.7221 -40.8133 45.2028 -40.8132 -10.26 GPRESSAVG: 3315600 3.52961 -36.1163 47.8441 -34.3054 35.0653 -40.732 41.6106 -41.557 -11.7127 TIMING: 3315600 CPU: 9873.34, 0.00295794/step Wall: 9873.34, 0.00295794/step, 1.38399 hours remaining, 206.742188 MB of memory in use. ENERGY: 3315600 740.3907 2060.0223 1928.9570 122.4895 -205806.2347 17675.8749 0.0000 0.0000 34314.1011 -148964.3991 299.6736 -183278.5002 -148859.6248 300.1081 -66.0442 -36.2130 557780.7629 9.1049 8.9607 PRESSURE: 3315800 139.605 -22.1811 -135.877 -22.1799 -122.228 -24.0758 -135.877 -24.077 -4.97943 GPRESSURE: 3315800 159.4 -10.7968 -95.9025 -77.3396 -92.7336 41.745 -143.885 -99.6712 47.434 PRESSAVG: 3315800 27.2265 -52.777 -11.1342 -52.7769 -58.036 7.57495 -11.1342 7.57501 -14.3297 GPRESSAVG: 3315800 27.4249 -50.3378 -11.9118 -54.6134 -58.3877 8.53385 -7.55149 5.37214 -14.4915 TIMING: 3315800 CPU: 9873.93, 0.00292571/step Wall: 9873.93, 0.00292571/step, 1.36875 hours remaining, 206.742188 MB of memory in use. ENERGY: 3315800 745.2534 2075.9593 1958.3164 113.2755 -206250.1042 17874.2748 0.0000 0.0000 34351.6813 -149131.3436 300.0018 -183483.0249 -149035.8670 299.9780 4.1325 38.0336 557430.9952 -15.0464 -15.1515 PRESSURE: 3316000 -19.1607 66.2614 -16.8076 66.2613 -89.5691 -54.7005 -16.8079 -54.7013 -255.391 GPRESSURE: 3316000 -35.8394 29.7944 -44.7789 114.21 -37.7498 -84.7083 -71.2625 -15.4389 -190.266 PRESSAVG: 3316000 52.8228 -40.5835 -4.75973 -40.5835 -7.59443 -36.3663 -4.75965 -36.3662 1.32628 GPRESSAVG: 3316000 52.1194 -41.5361 -3.59815 -39.7974 -6.41272 -36.9184 -8.58995 -35.8571 0.448543 TIMING: 3316000 CPU: 9874.51, 0.00292874/step Wall: 9874.51, 0.00292874/step, 1.37 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3316000 765.2674 2092.6699 1945.1105 98.9385 -206024.1444 17687.1178 0.0000 0.0000 34308.3541 -149126.6863 299.6234 -183435.0404 -149027.0805 299.7959 -121.3736 -87.9518 558153.0134 15.5182 15.3851 PRESSURE: 3316200 125.487 108.249 33.4699 108.249 -237.161 -160.548 33.4696 -160.547 -16.7827 GPRESSURE: 3316200 118.728 12.4517 -2.0571 210.507 -140.249 -169.177 17.4076 -100.691 -9.20571 PRESSAVG: 3316200 -22.3593 -27.6359 62.3565 -27.6359 -10.1352 -36.0589 62.3565 -36.0589 13.8529 GPRESSAVG: 3316200 -21.7158 -27.311 61.5464 -29.5395 -12.0531 -35.3342 65.9107 -36.9892 15.8313 TIMING: 3316200 CPU: 9875.1, 0.00293357/step Wall: 9875.1, 0.00293357/step, 1.3721 hours remaining, 206.742188 MB of memory in use. ENERGY: 3316200 730.7400 2180.9070 1961.3488 111.7293 -205962.2292 17817.7192 0.0000 0.0000 34179.2370 -148980.5479 298.4958 -183159.7849 -148885.9050 300.4415 -42.8190 -10.2423 557690.7366 -6.2138 -5.9792 LDB: ============= START OF LOAD BALANCING ============== 9878.64 LDB: ============== END OF LOAD BALANCING =============== 9878.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9878.65 LDB: ============= START OF LOAD BALANCING ============== 9878.94 LDB: Largest compute 4772 load 0.027536 is 23.3% of average load 0.118198 LDB: Average compute 0.001730 is 1.5% of average load 0.118198 LDB: TIME 9878.94 LOAD: AVG 0.118198 MAX 0.195654 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.793 MB LDB: TIME 9878.94 LOAD: AVG 0.118198 MAX 0.195654 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.992 MB LDB: TIME 9878.94 LOAD: AVG 0.118198 MAX 0.195654 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.992 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9878.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9878.95 PRESSURE: 3316400 -62.7488 -66.1459 123.288 -66.1467 141.199 -35.821 123.29 -35.8195 58.081 GPRESSURE: 3316400 -43.9398 39.9291 165.984 -110.108 186.938 -33.0721 159.39 -111.163 94.209 PRESSAVG: 3316400 16.0254 9.62591 -51.35 9.62596 14.616 -32.9098 -51.35 -32.9098 0.578503 GPRESSAVG: 3316400 15.5835 9.16836 -50.4942 11.867 15.1336 -32.1477 -53.6291 -32.4493 0.468047 TIMING: 3316400 CPU: 9875.7, 0.00301672/step Wall: 9875.7, 0.00301672/step, 1.41082 hours remaining, 208.726562 MB of memory in use. ENERGY: 3316400 771.8937 2123.8393 1939.6747 111.4255 -206299.0088 18036.2412 0.0000 0.0000 34238.1698 -149077.7647 299.0105 -183315.9344 -148981.9430 299.6061 45.5104 79.0691 559109.8772 10.4066 10.3951 PRESSURE: 3316600 120.402 -15.2172 -3.7818 -15.2167 -123.294 314.766 -3.7822 314.768 -63.6005 GPRESSURE: 3316600 124.373 -8.4876 -40.9186 -51.874 -80.357 312.61 44.9534 265.741 -6.22808 PRESSAVG: 3316600 -7.03143 -5.35471 -18.9358 -5.35477 51.8022 39.075 -18.9357 39.075 -53.1021 GPRESSAVG: 3316600 -7.80409 -2.77396 -17.7398 -5.40597 52.3475 36.5198 -19.1115 40.9007 -52.4572 TIMING: 3316600 CPU: 9876.3, 0.00297537/step Wall: 9876.3, 0.00297537/step, 1.39132 hours remaining, 208.925781 MB of memory in use. ENERGY: 3316600 715.6669 2080.1042 1949.5694 110.6848 -205913.0261 17645.4827 0.0000 0.0000 34513.1593 -148898.3588 301.4120 -183411.5182 -148802.1635 299.5412 -22.1642 12.5960 557722.8043 -2.7771 -2.6380 PRESSURE: 3316800 -31.7602 21.985 -99.2524 21.9833 -203.193 -136.176 -99.2533 -136.176 -149.606 GPRESSURE: 3316800 -20.5527 61.7849 -76.3677 79.7768 -208.374 -147.349 -44.1149 -91.4468 -60.2109 PRESSAVG: 3316800 -6.2381 3.68653 -25.1905 3.68662 31.9796 39.2678 -25.1904 39.2678 -37.8161 GPRESSAVG: 3316800 -6.31212 0.0484613 -25.5425 4.06807 33.1129 40.3769 -25.2393 39.0164 -38.7796 TIMING: 3316800 CPU: 9876.89, 0.00298668/step Wall: 9876.89, 0.00298668/step, 1.39644 hours remaining, 208.925781 MB of memory in use. ENERGY: 3316800 765.4591 2063.4148 1958.6622 124.2691 -205576.4240 17592.5753 0.0000 0.0000 34436.1333 -148635.9102 300.7393 -183072.0435 -148540.4962 300.5113 -128.1863 -96.3793 558544.4792 -4.0248 -3.9930 PRESSURE: 3317000 77.536 26.4413 32.5264 26.4409 -51.7736 -81.7352 32.5252 -81.7363 40.8969 GPRESSURE: 3317000 109.448 58.8696 4.5751 15.7206 -34.1539 -55.4779 46.5399 -125.244 92.9195 PRESSAVG: 3317000 -9.06168 -7.63386 -57.1886 -7.63394 62.3104 14.1828 -57.1887 14.1828 -26.104 GPRESSAVG: 3317000 -7.10006 -5.23899 -57.3021 -10.1077 59.7571 13.2144 -57.3442 13.1654 -26.0999 TIMING: 3317000 CPU: 9877.49, 0.00297698/step Wall: 9877.49, 0.00297698/step, 1.39174 hours remaining, 208.925781 MB of memory in use. ENERGY: 3317000 737.8261 2096.3911 1941.4582 115.1566 -205889.0108 17780.0083 0.0000 0.0000 34632.7447 -148585.4258 302.4564 -183218.1705 -148483.8012 300.9282 22.2197 56.0712 557455.6119 9.0482 8.8524 PRESSURE: 3317200 301.128 -15.5731 -88.3412 -15.5731 208.413 -93.4613 -88.3409 -93.4599 -186.94 GPRESSURE: 3317200 317.429 83.0486 -96.7502 -100.194 246.938 -124.592 -51.9609 45.8432 -139.419 PRESSAVG: 3317200 48.0249 -44.3537 -8.22286 -44.3538 -14.3213 -4.07036 -8.22281 -4.07032 -25.6558 GPRESSAVG: 3317200 47.0851 -44.2581 -9.28557 -44.5534 -13.3274 -2.54981 -8.18677 -3.52387 -25.9495 TIMING: 3317200 CPU: 9878.09, 0.00299877/step Wall: 9878.09, 0.00299877/step, 1.40176 hours remaining, 208.925781 MB of memory in use. ENERGY: 3317200 770.3231 2127.4943 1947.8459 112.7475 -206241.9509 18034.3954 0.0000 0.0000 34599.0377 -148650.1071 302.1620 -183249.1448 -148553.2477 301.1339 107.5336 141.6494 557957.5228 2.6826 2.6027 PRESSURE: 3317400 191.676 -53.4341 64.0079 -53.4332 56.2366 44.5702 64.0074 44.5698 40.8862 GPRESSURE: 3317400 233.067 -91.611 70.6019 -0.982187 74.1039 17.8612 56.3434 53.2571 72.3653 PRESSAVG: 3317400 -28.6421 -6.8762 30.8247 -6.87619 38.0766 -32.364 30.8249 -32.364 -3.49413 GPRESSAVG: 3317400 -28.8344 -8.50741 30.5918 -6.26372 38.3565 -31.9304 32.6248 -34.5276 -4.14931 TIMING: 3317400 CPU: 9878.68, 0.00295897/step Wall: 9878.68, 0.00295897/step, 1.38299 hours remaining, 208.925781 MB of memory in use. ENERGY: 3317400 742.6805 2110.9362 1942.8732 106.9034 -206310.2801 17976.8760 0.0000 0.0000 34547.0204 -148882.9904 301.7077 -183430.0107 -148789.3289 300.7795 96.2662 126.5119 558083.4626 1.9801 1.7909 PRESSURE: 3317600 -106.071 103.238 -69.3185 103.238 5.54329 44.5504 -69.3183 44.5498 102.978 GPRESSURE: 3317600 -49.265 158.556 -14.024 144.079 34.8714 -6.37057 -114.256 24.0054 111.202 PRESSAVG: 3317600 31.1376 23.6072 -9.17097 23.6072 -1.88968 13.0852 -9.17085 13.0852 -32.2449 GPRESSAVG: 3317600 30.2257 24.2843 -7.9753 23.7057 -1.99929 11.649 -10.8722 13.359 -31.5905 TIMING: 3317600 CPU: 9879.27, 0.0029384/step Wall: 9879.27, 0.0029384/step, 1.37321 hours remaining, 208.925781 MB of memory in use. ENERGY: 3317600 754.4126 2045.2045 1945.7598 116.6350 -206033.5197 17899.3556 0.0000 0.0000 34227.5340 -149044.6182 298.9176 -183272.1522 -148947.0531 299.8966 0.8168 32.2696 558139.3567 -0.9990 -1.1213 PRESSURE: 3317800 -134.057 1.24728 13.2814 1.24785 177.188 -2.09933 13.2819 -2.09982 -0.609257 GPRESSURE: 3317800 -140.639 17.1707 -75.7983 -5.94225 216.609 -23.5347 36.3776 -40.9109 78.6107 PRESSAVG: 3317800 -17.3806 -37.2171 6.20604 -37.2172 -7.66014 49.867 6.2061 49.8669 28.3452 GPRESSAVG: 3317800 -15.6794 -38.2297 4.66357 -35.8394 -7.60895 51.1909 6.64141 49.4377 26.6533 TIMING: 3317800 CPU: 9879.86, 0.00294435/step Wall: 9879.86, 0.00294435/step, 1.37583 hours remaining, 208.925781 MB of memory in use. ENERGY: 3317800 783.4494 2024.9316 1936.3647 113.7603 -206102.7455 17887.7487 0.0000 0.0000 34290.3689 -149066.1218 299.4663 -183356.4908 -148968.1429 299.4894 14.1740 51.5268 556388.5176 1.1015 1.1217 PRESSURE: 3318000 50.8765 98.5273 -99.8472 98.5271 48.8884 -81.8625 -99.8476 -81.8614 250.143 GPRESSURE: 3318000 106.018 82.0514 -54.3171 130.837 83.8227 -123.545 -122.307 -78.8378 261.289 PRESSAVG: 3318000 -85.6823 -27.6746 -26.8853 -27.6746 46.2595 46.893 -26.8853 46.8931 73.2821 GPRESSAVG: 3318000 -85.7139 -27.2053 -25.6654 -26.8094 45.4268 45.7972 -27.6432 48.1372 74.0232 TIMING: 3318000 CPU: 9880.45, 0.00295098/step Wall: 9880.45, 0.00295098/step, 1.37876 hours remaining, 208.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3318000 738.2280 2113.6204 1953.5841 127.2246 -206138.8705 17897.2007 0.0000 0.0000 34243.9608 -149065.0519 299.0610 -183309.0127 -148967.6832 299.2839 116.6358 150.3766 556531.0802 11.2864 11.2454 PRESSURE: 3318200 -78.0133 23.7201 -21.9793 23.719 -137.157 19.053 -21.9802 19.0531 -197.883 GPRESSURE: 3318200 -19.5897 72.1819 -39.5436 3.19927 -173.966 -17.9428 10.9833 44.8343 -124.229 PRESSAVG: 3318200 -58.2562 -8.92775 -49.6506 -8.92775 21.412 -29.6169 -49.6505 -29.617 42.9773 GPRESSAVG: 3318200 -60.4406 -8.3289 -49.0662 -10.277 23.1059 -29.6054 -50.5012 -30.2129 43.3785 TIMING: 3318200 CPU: 9881.04, 0.00294761/step Wall: 9881.04, 0.00294761/step, 1.37702 hours remaining, 208.925781 MB of memory in use. ENERGY: 3318200 757.3701 2066.4910 1994.3161 110.1099 -205933.1290 17556.9714 0.0000 0.0000 34405.8909 -149041.9797 300.4752 -183447.8706 -148953.5940 300.1721 -137.6844 -105.9284 557328.6127 2.0444 2.0146 PRESSURE: 3318400 -163.899 -197.9 29.7934 -197.899 -65.9005 -75.6736 29.7932 -75.6724 89.2735 GPRESSURE: 3318400 -92.6839 -144.589 -50.2797 -196.238 -42.8505 -82.9521 81.5938 -83.9539 74.1949 PRESSAVG: 3318400 -105.159 -19.0477 5.18395 -19.0477 -3.64551 -90.8886 5.18398 -90.8886 96.6397 GPRESSAVG: 3318400 -104.285 -19.0105 3.26679 -20.2183 -4.18758 -91.9152 6.10224 -89.836 95.8078 TIMING: 3318400 CPU: 9881.63, 0.0029457/step Wall: 9881.63, 0.0029457/step, 1.37597 hours remaining, 208.925781 MB of memory in use. ENERGY: 3318400 779.0913 2088.2412 1941.8682 115.3715 -205681.0025 17493.8152 0.0000 0.0000 34181.4185 -149081.1965 298.5148 -183262.6150 -148978.4786 300.0621 -46.8420 -20.4465 556101.2611 -4.0551 -4.2216 PRESSURE: 3318600 -317.955 67.5174 -196.748 67.5174 6.77359 42.1775 -196.749 42.1762 -210.435 GPRESSURE: 3318600 -348.827 137.475 -164.079 40.2786 17.2232 79.7056 -245.967 -0.0204455 -89.1873 PRESSAVG: 3318600 -42.9785 -41.5063 0.771979 -41.5064 28.1983 -8.53911 0.771903 -8.53909 55.2384 GPRESSAVG: 3318600 -42.2984 -40.7516 2.8804 -40.0721 27.5859 -7.41603 -1.22515 -10.7515 55.0507 TIMING: 3318600 CPU: 9882.21, 0.00294414/step Wall: 9882.21, 0.00294414/step, 1.37508 hours remaining, 208.925781 MB of memory in use. ENERGY: 3318600 741.5369 2089.7060 1925.7919 112.2722 -205528.7958 17330.2079 0.0000 0.0000 34366.8899 -148962.3910 300.1346 -183329.2809 -148862.4293 300.4863 -173.8722 -140.2638 557583.3073 13.4861 13.4461 PRESSURE: 3318800 -227.582 145.808 -29.2866 145.809 -190.712 28.4368 -29.2867 28.4376 234.297 GPRESSURE: 3318800 -205.071 129.077 -19.6251 197.398 -118.304 116.361 -34.6109 62.2948 246.994 PRESSAVG: 3318800 -38.097 -14.0204 -21.213 -14.0205 37.8023 21.3747 -21.2131 21.3748 37.2638 GPRESSAVG: 3318800 -38.3474 -15.1192 -22.6205 -14.8426 36.5375 20.815 -19.0412 24.697 39.7597 TIMING: 3318800 CPU: 9882.8, 0.00294581/step Wall: 9882.8, 0.00294581/step, 1.3757 hours remaining, 208.925781 MB of memory in use. ENERGY: 3318800 721.7534 2086.8507 1957.1715 109.9770 -205923.7503 17656.8844 0.0000 0.0000 34304.0908 -149087.0224 299.5862 -183391.1133 -148987.4781 299.5604 -61.3324 -25.4604 557929.8054 12.3231 12.6500 PRESSURE: 3319000 -165.29 -207.835 -150.406 -207.833 -87.9596 -76.5311 -150.406 -76.5334 -151.755 GPRESSURE: 3319000 -80.7181 -166.536 -162.415 -151.974 -148.676 -62.6233 -174.604 -34.0924 -81.6292 PRESSAVG: 3319000 -21.8395 -35.5228 0.292197 -35.5229 -11.1334 50.7647 0.292219 50.7646 28.1299 GPRESSAVG: 3319000 -21.447 -34.3754 0.472838 -34.1667 -10.5462 51.0272 -0.240135 51.0755 26.5639 TIMING: 3319000 CPU: 9883.4, 0.00296616/step Wall: 9883.4, 0.00296616/step, 1.38503 hours remaining, 208.925781 MB of memory in use. ENERGY: 3319000 766.1199 2078.2213 1948.7810 106.2353 -206038.2210 17577.2863 0.0000 0.0000 34394.8278 -149166.7495 300.3786 -183561.5773 -149074.3777 299.5670 -135.0016 -103.6746 558493.3973 -1.6143 -1.8098 PRESSURE: 3319200 313.949 -75.417 -128.704 -75.4168 -413.207 -206.01 -128.704 -206.009 131.651 GPRESSURE: 3319200 301.836 47.0387 -141.723 -172.343 -391.374 -229.488 -177.456 -161.12 230.025 PRESSAVG: 3319200 46.1229 -69.3021 -12.7361 -69.3021 -31.4375 19.2113 -12.7361 19.2115 -30.203 GPRESSAVG: 3319200 47.5683 -68.8906 -12.54 -71.131 -32.4622 19.0853 -12.9159 17.9924 -30.6246 TIMING: 3319200 CPU: 9883.99, 0.002955/step Wall: 9883.99, 0.002955/step, 1.37966 hours remaining, 208.925781 MB of memory in use. ENERGY: 3319200 740.8365 2073.2981 1929.7326 112.9718 -206311.1990 17658.3405 0.0000 0.0000 34657.0063 -149139.0133 302.6683 -183796.0195 -149042.5034 299.8313 10.7978 46.8289 556834.7860 -5.1725 -5.1728 PRESSURE: 3319400 179.861 -57.9588 65.6646 -57.9583 144.761 98.4254 65.6655 98.4229 190.104 GPRESSURE: 3319400 213.678 -78.4138 75.8735 -108.168 177.75 121.024 58.0624 109.132 198.203 PRESSAVG: 3319400 37.0332 -14.3181 2.2942 -14.3181 -26.6135 -23.0729 2.29422 -23.0728 -22.0372 GPRESSAVG: 3319400 34.8905 -16.264 2.06009 -13.3662 -26.1275 -22.4296 1.89469 -22.9858 -20.5142 TIMING: 3319400 CPU: 9884.58, 0.00294512/step Wall: 9884.58, 0.00294512/step, 1.37488 hours remaining, 208.925781 MB of memory in use. ENERGY: 3319400 738.7229 2038.1648 1934.2896 108.0916 -206154.2474 17976.6411 0.0000 0.0000 34203.3095 -149155.0279 298.7060 -183358.3374 -149061.0510 299.9561 171.5750 196.5439 557932.6210 -3.8725 -3.9170 PRESSURE: 3319600 37.3931 -79.1966 -106.638 -79.1974 -113.867 83.9292 -106.638 83.9306 -59.3823 GPRESSURE: 3319600 63.6076 -69.3569 -123.45 30.498 -109.894 53.0601 -55.3482 -18.6946 2.71856 PRESSAVG: 3319600 8.62284 -63.6624 -18.9964 -63.6622 62.9424 3.83551 -18.9964 3.83546 -11.9956 GPRESSAVG: 3319600 10.1735 -63.6738 -18.9742 -63.5572 61.8276 3.34909 -18.8553 1.69965 -12.4086 TIMING: 3319600 CPU: 9885.17, 0.00294949/step Wall: 9885.17, 0.00294949/step, 1.37676 hours remaining, 208.925781 MB of memory in use. ENERGY: 3319600 747.4621 2094.4479 1920.4152 101.6650 -206258.8759 17900.8735 0.0000 0.0000 34244.2402 -149249.7719 299.0635 -183494.0121 -149151.6339 299.0142 -45.2855 -14.5226 557850.8718 19.8566 19.8642 PRESSURE: 3319800 -81.9752 -55.7458 129.222 -55.7467 -317.742 -57.7474 129.222 -57.7484 -66.4798 GPRESSURE: 3319800 -113.141 -64.4419 143.216 -26.8539 -215.91 -121.589 99.5058 -47.5425 -42.3475 PRESSAVG: 3319800 -42.7272 -31.618 16.5762 -31.618 -62.27 29.8778 16.5763 29.8778 85.8572 GPRESSAVG: 3319800 -42.574 -31.2136 15.5372 -31.2849 -60.6729 28.6556 18.1374 31.4954 84.2284 TIMING: 3319800 CPU: 9885.75, 0.00294043/step Wall: 9885.75, 0.00294043/step, 1.37236 hours remaining, 208.925781 MB of memory in use. ENERGY: 3319800 727.7896 2047.8033 1931.3841 106.8088 -205873.5496 17611.0690 0.0000 0.0000 34225.4458 -149223.2490 298.8993 -183448.6948 -149124.4692 299.3318 -155.3989 -123.7995 557506.4566 -6.3800 -6.3395 PRESSURE: 3320000 -40.1038 40.5563 65.4553 40.5574 118.32 38.7561 65.4567 38.7567 283.381 GPRESSURE: 3320000 -20.4121 1.03053 73.6805 36.2349 228.992 23.288 76.9105 28.523 240.888 PRESSAVG: 3320000 34.1762 -10.1042 -3.47159 -10.1042 -41.0013 15.6422 -3.47154 15.6422 14.9258 GPRESSAVG: 3320000 33.4027 -9.55206 -1.18909 -10.874 -40.7816 18.0979 -5.36523 12.72 15.639 TIMING: 3320000 CPU: 9886.35, 0.00295111/step Wall: 9886.35, 0.00295111/step, 1.37718 hours remaining, 208.925781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3320000 733.8713 2032.5450 1967.8222 123.2179 -206406.5721 17981.5515 0.0000 0.0000 34313.8752 -149253.6888 299.6716 -183567.5640 -149157.4019 299.2767 120.5323 149.8226 557023.0663 2.7002 2.7534 PRESSURE: 3320200 -3.95141 -58.7097 1.65078 -58.7102 95.1415 203.088 1.65178 203.089 -152.882 GPRESSURE: 3320200 92.6437 -60.5345 -21.6317 -47.0366 87.3798 243.589 59.971 206.387 -129.984 PRESSAVG: 3320200 40.3549 -2.08876 14.3718 -2.08873 -23.3519 19.0831 14.3718 19.0832 19.658 GPRESSAVG: 3320200 40.0286 -3.29448 13.8731 -0.235111 -23.2828 19.0155 13.627 20.4874 19.725 TIMING: 3320200 CPU: 9886.93, 0.00294665/step Wall: 9886.93, 0.00294665/step, 1.37494 hours remaining, 208.925781 MB of memory in use. ENERGY: 3320200 767.1639 2017.3519 1960.7144 114.6673 -206403.7087 17907.7741 0.0000 0.0000 34247.4877 -149388.5495 299.0918 -183636.0372 -149293.3475 299.4722 -20.5638 16.6797 556831.8551 12.2203 12.1570 LDB: ============= START OF LOAD BALANCING ============== 9890.48 LDB: ============== END OF LOAD BALANCING =============== 9890.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9890.48 LDB: ============= START OF LOAD BALANCING ============== 9890.78 LDB: Largest compute 4772 load 0.027023 is 22.9% of average load 0.118247 LDB: Average compute 0.001720 is 1.5% of average load 0.118247 LDB: TIME 9890.78 LOAD: AVG 0.118247 MAX 0.196385 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.703 MB LDB: TIME 9890.78 LOAD: AVG 0.118247 MAX 0.196385 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.703 MB LDB: TIME 9890.78 LOAD: AVG 0.118247 MAX 0.196385 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.703 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9890.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9890.79 PRESSURE: 3320400 -152.77 -132.678 -182.893 -132.678 -207.273 -102.875 -182.894 -102.877 -220.839 GPRESSURE: 3320400 -100.742 -143.102 -253.253 -69.5064 -164.669 -158.409 -197.157 -1.71687 -204.735 PRESSAVG: 3320400 -35.0184 36.53 -26.357 36.53 39.5265 -13.0771 -26.3569 -13.0771 9.48843 GPRESSAVG: 3320400 -34.8125 34.03 -27.8147 36.4093 39.2479 -13.5861 -26.0525 -12.3563 9.83555 TIMING: 3320400 CPU: 9887.54, 0.00301344/step Wall: 9887.54, 0.00301344/step, 1.40594 hours remaining, 207.250000 MB of memory in use. ENERGY: 3320400 723.3007 2035.7329 1964.7888 117.1115 -205970.3933 17680.0284 0.0000 0.0000 34000.7374 -149448.6935 296.9369 -183449.4309 -149352.9052 298.3425 -193.6273 -156.7153 558485.4409 4.6655 4.7570 PRESSURE: 3320600 -242.705 8.90953 -119.035 8.90886 -312.401 -47.7175 -119.034 -47.7193 -225.41 GPRESSURE: 3320600 -209.65 69.2621 -113.404 -32.0396 -309.011 -90.6665 -102.799 4.24024 -166.956 PRESSAVG: 3320600 48.6085 21.6458 -18.1621 21.6457 32.0365 8.80592 -18.1622 8.80588 -118.748 GPRESSAVG: 3320600 49.0367 24.384 -15.338 20.5847 31.5702 8.0643 -17.8416 8.61296 -118.609 TIMING: 3320600 CPU: 9888.13, 0.00295472/step Wall: 9888.13, 0.00295472/step, 1.37838 hours remaining, 207.250000 MB of memory in use. ENERGY: 3320600 731.7441 2055.6894 1937.2374 100.4803 -205747.2430 17370.9942 0.0000 0.0000 34140.3983 -149410.6994 298.1566 -183551.0977 -149313.6635 298.3229 -260.1719 -228.5392 558026.0065 -12.7008 -12.6673 PRESSURE: 3320800 18.1709 -38.1403 -222.495 -38.1404 -227.149 -124.641 -222.495 -124.641 -249.91 GPRESSURE: 3320800 36.9814 -53.1791 -148.539 -18.1935 -183.226 -108.387 -129.195 -156.964 -208.112 PRESSAVG: 3320800 9.24015 -11.5955 -25.0323 -11.5955 34.6854 -63.8083 -25.0323 -63.8083 -11.5252 GPRESSAVG: 3320800 8.62375 -12.8026 -27.6183 -9.66072 36.0917 -63.7494 -26.0344 -63.4413 -12.7528 TIMING: 3320800 CPU: 9888.71, 0.00292017/step Wall: 9888.71, 0.00292017/step, 1.3621 hours remaining, 207.250000 MB of memory in use. ENERGY: 3320800 746.4479 2033.9157 1923.9768 120.9236 -205951.4303 17545.2633 0.0000 0.0000 34337.5086 -149243.3945 299.8780 -183580.9030 -149149.3718 298.0681 -152.9628 -118.1189 558419.8509 10.8001 10.6542 PRESSURE: 3321000 154.093 -112.575 115.317 -112.575 -160.113 12.7553 115.318 12.7566 -19.6704 GPRESSURE: 3321000 206.303 -123.692 52.031 -93.5743 -151.115 -48.4927 122.184 -60.5555 11.3849 PRESSAVG: 3321000 -14.652 1.12233 -19.9746 1.12234 -20.11 -50.6252 -19.9746 -50.6253 43.6023 GPRESSAVG: 3321000 -14.5616 2.74985 -21.3676 -2.52172 -20.1943 -51.9897 -17.6826 -51.4436 43.9466 TIMING: 3321000 CPU: 9889.3, 0.00292487/step Wall: 9889.3, 0.00292487/step, 1.36412 hours remaining, 207.250000 MB of memory in use. ENERGY: 3321000 732.5758 2052.5771 1929.8491 116.7844 -205991.5687 17856.4866 0.0000 0.0000 34056.2946 -149247.0011 297.4221 -183303.2957 -149148.6174 298.5380 -8.5633 22.1911 559755.0377 2.9467 3.0636 PRESSURE: 3321200 258.157 102.545 -119.113 102.544 -51.2443 -40.5627 -119.115 -40.563 -30.0778 GPRESSURE: 3321200 258.806 102.334 -119.127 117.728 15.2653 -142.034 -141.94 -44.841 -3.61497 PRESSAVG: 3321200 59.2581 37.3707 6.37126 37.3707 -10.7096 -18.8249 6.37128 -18.8249 -54.3089 GPRESSAVG: 3321200 58.9651 36.9305 7.56627 39.1577 -10.4043 -17.7239 5.30442 -20.0195 -53.4337 TIMING: 3321200 CPU: 9889.88, 0.00291802/step Wall: 9889.88, 0.00291802/step, 1.36077 hours remaining, 207.250000 MB of memory in use. ENERGY: 3321200 719.1531 2044.8685 1921.4531 101.0654 -206262.7805 17963.7251 0.0000 0.0000 34291.2691 -149221.2462 299.4742 -183512.5153 -149123.4668 298.5418 58.9451 90.1521 559405.0078 -1.9201 -1.6243 PRESSURE: 3321400 94.5269 64.0571 89.286 64.0584 199.77 -7.28504 89.2858 -7.28518 -20.8754 GPRESSURE: 3321400 135.468 49.6564 55.9273 -16.4962 190.333 15.8882 149.991 -29.9153 41.7783 PRESSAVG: 3321400 14.6954 15.4433 28.1248 15.4433 17.5415 11.3563 28.1248 11.3563 -44.8013 GPRESSAVG: 3321400 15.6634 14.6817 26.3649 17.118 16.8509 10.9647 28.7213 11.6945 -44.6634 TIMING: 3321400 CPU: 9890.47, 0.00293127/step Wall: 9890.47, 0.00293127/step, 1.36679 hours remaining, 207.250000 MB of memory in use. ENERGY: 3321400 751.4477 2058.4089 1952.4189 124.5710 -206469.9699 18098.5135 0.0000 0.0000 34243.7277 -149240.8823 299.0590 -183484.6100 -149146.1015 299.1950 91.1406 122.5263 558033.5056 -4.1881 -4.0497 PRESSURE: 3321600 -111.32 61.3193 99.5158 61.3189 -30.1492 43.4959 99.516 43.4977 -20.9923 GPRESSURE: 3321600 -33.1776 63.5052 9.62416 0.201122 -8.89709 58.9082 185.711 29.0004 -18.6932 PRESSAVG: 3321600 9.44923 1.33067 42.5967 1.33064 -50.7296 51.4366 42.5966 51.4366 38.2105 GPRESSAVG: 3321600 10.0748 1.21011 42.4623 2.20841 -50.3954 52.8725 43.0827 49.8624 37.8165 TIMING: 3321600 CPU: 9891.05, 0.00293542/step Wall: 9891.05, 0.00293542/step, 1.36856 hours remaining, 207.250000 MB of memory in use. ENERGY: 3321600 751.7600 2075.6904 1924.1320 110.1736 -205917.3119 17703.9340 0.0000 0.0000 34385.7782 -148965.8436 300.2996 -183351.6218 -148869.0654 299.6660 -54.1537 -20.2560 557977.1127 -1.0233 -0.8347 PRESSURE: 3321800 46.1607 29.6832 -11.6948 29.684 -37.1912 -26.5663 -11.6951 -26.5665 -11.5465 GPRESSURE: 3321800 72.3074 63.6835 -21.634 118.546 -0.24595 -49.9906 -50.9073 79.1501 38.3224 PRESSAVG: 3321800 59.6123 28.7437 -15.7547 28.7436 -13.1061 -42.5434 -15.7548 -42.5433 -33.0124 GPRESSAVG: 3321800 59.6968 28.7457 -15.8377 26.3301 -12.9825 -41.7163 -16.8079 -40.658 -32.8761 TIMING: 3321800 CPU: 9891.64, 0.00295465/step Wall: 9891.64, 0.00295464/step, 1.37736 hours remaining, 207.250000 MB of memory in use. ENERGY: 3321800 756.1368 2087.9143 1925.2612 108.9591 -205709.5324 17821.5979 0.0000 0.0000 33889.3167 -149120.3465 295.9638 -183009.6632 -149029.0418 299.0798 -0.8590 36.7946 558210.6468 4.4979 4.6128 PRESSURE: 3322000 -70.2711 186.615 125.561 186.614 -131.788 -163.295 125.561 -163.295 137.13 GPRESSURE: 3322000 -38.73 189.782 54.7902 144.818 -134.859 -101.318 177.025 -190.066 224.032 PRESSAVG: 3322000 49.9879 -31.6422 -23.7199 -31.6422 -24.2868 31.3084 -23.7199 31.3083 -29.522 GPRESSAVG: 3322000 49.5384 -31.2898 -20.091 -30.7809 -24.4601 29.2461 -24.1732 30.9843 -28.8425 TIMING: 3322000 CPU: 9892.24, 0.0029549/step Wall: 9892.24, 0.0029549/step, 1.37731 hours remaining, 207.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3322000 735.6949 2056.0586 1963.2707 103.5241 -205756.8802 17705.1465 0.0000 0.0000 33974.1586 -149219.0269 296.7048 -183193.1855 -149126.2455 298.7498 -21.6432 16.8143 558529.2832 -1.2736 -1.2547 PRESSURE: 3322200 165.005 52.8165 174.181 52.8154 15.9747 -112.898 174.182 -112.898 103.083 GPRESSURE: 3322200 200.382 42.9293 61.2458 62.1171 44.6866 -154.974 222.956 -13.0555 134.927 PRESSAVG: 3322200 6.11117 -7.49369 14.9894 -7.49374 37.3816 -0.89567 14.9894 -0.895602 15.0534 GPRESSAVG: 3322200 7.18314 -6.45077 13.3804 -8.38798 37.4566 -0.455591 14.5676 -0.514198 14.3028 TIMING: 3322200 CPU: 9892.83, 0.00296445/step Wall: 9892.83, 0.00296445/step, 1.3816 hours remaining, 207.250000 MB of memory in use. ENERGY: 3322200 788.6334 2000.9332 1937.5818 107.3385 -206306.9656 18031.7682 0.0000 0.0000 34286.9453 -149153.7652 299.4364 -183440.7104 -149062.2031 299.5926 94.6876 126.6653 556031.3938 19.5154 19.6475 PRESSURE: 3322400 -284.371 -76.5383 -22.249 -76.5394 -129.521 -235.168 -22.2486 -235.167 -147.361 GPRESSURE: 3322400 -228.654 -124.291 47.5616 -2.99135 -115.493 -235.589 -47.0648 -185.69 -118.832 PRESSAVG: 3322400 -46.7955 -7.76314 -21.712 -7.76316 -28.4918 -40.898 -21.712 -40.8979 27.5837 GPRESSAVG: 3322400 -48.5037 -7.00114 -22.1759 -8.92457 -29.1052 -39.9916 -21.3266 -41.7026 29.6148 TIMING: 3322400 CPU: 9893.42, 0.00294234/step Wall: 9893.42, 0.00294235/step, 1.37113 hours remaining, 207.250000 MB of memory in use. ENERGY: 3322400 746.9809 2040.2655 1934.4630 113.0133 -205881.5736 17576.2447 0.0000 0.0000 34272.1449 -149198.4614 299.3072 -183470.6063 -149094.4592 299.7477 -187.0845 -154.3263 556981.0510 -15.9012 -15.9980 PRESSURE: 3322600 98.7694 36.39 41.8915 36.3897 32.5088 -33.6782 41.8915 -33.6799 89.2787 GPRESSURE: 3322600 198.929 75.8249 131.259 -57.952 -40.4447 -37.0441 36.7637 -8.92404 154.027 PRESSAVG: 3322600 6.65828 7.56659 -10.3572 7.56663 12.8788 -51.3281 -10.3572 -51.3281 5.8838 GPRESSAVG: 3322600 8.19543 5.06373 -11.3429 10.6315 12.5607 -51.4173 -9.25564 -51.3105 4.56129 TIMING: 3322600 CPU: 9894, 0.00293594/step Wall: 9894, 0.00293594/step, 1.36799 hours remaining, 207.250000 MB of memory in use. ENERGY: 3322600 753.7378 2098.8730 1914.6558 108.9861 -206436.5946 17994.8356 0.0000 0.0000 34251.2974 -149314.2089 299.1251 -183565.5063 -149221.3604 299.1156 73.5190 104.1706 556167.4368 8.4736 8.4391 PRESSURE: 3322800 -77.8037 148.544 135.423 148.544 -195.864 83.1428 135.421 83.1431 48.4635 GPRESSURE: 3322800 0.280271 144.073 125.635 9.98352 -159.035 42.3162 156.599 43.535 19.1336 PRESSAVG: 3322800 34.1814 47.0739 79.8968 47.0739 -34.8817 10.6925 79.8967 10.6926 -6.07596 GPRESSAVG: 3322800 34.457 47.9466 80.806 46.6962 -34.753 10.8185 78.7415 11.6916 -6.30877 TIMING: 3322800 CPU: 9894.6, 0.00296629/step Wall: 9894.6, 0.00296629/step, 1.38196 hours remaining, 207.250000 MB of memory in use. ENERGY: 3322800 795.8858 2054.6338 1929.1567 112.2521 -206219.3538 17799.2551 0.0000 0.0000 34235.9641 -149292.2061 298.9912 -183528.1703 -149200.6872 298.8985 -75.0681 -46.5405 557290.0084 -2.2588 -2.2016 PRESSURE: 3323000 -158.961 -122.071 59.3563 -122.072 153.813 -139.425 59.3559 -139.426 -126.958 GPRESSURE: 3323000 -88.021 -143.345 65.4552 3.46713 179.163 -87.5203 -10.9677 -115.35 -117.878 PRESSAVG: 3323000 -21.9423 30.4021 8.84741 30.4021 27.187 55.0647 8.84741 55.0646 0.15057 GPRESSAVG: 3323000 -22.4996 32.1957 8.33312 29.0894 27.7979 55.5467 8.56017 55.7468 0.0362156 TIMING: 3323000 CPU: 9895.19, 0.00296627/step Wall: 9895.19, 0.00296627/step, 1.38179 hours remaining, 207.250000 MB of memory in use. ENERGY: 3323000 744.6203 2076.5368 1949.0535 116.0811 -206150.8436 17731.3006 0.0000 0.0000 34151.0636 -149382.1878 298.2497 -183533.2514 -149287.4350 298.7264 -44.0354 -8.9118 557934.9316 1.7984 1.7782 PRESSURE: 3323200 83.3413 -14.6367 42.9511 -14.6364 -92.832 -3.53345 42.9518 -3.53347 -150.804 GPRESSURE: 3323200 108.171 -7.37195 86.8509 6.32319 -93.018 -5.87565 -4.92768 56.5821 -80.1901 PRESSAVG: 3323200 -27.9753 14.6908 84.5052 14.6908 -7.95494 33.2202 84.5052 33.2202 42.0594 GPRESSAVG: 3323200 -27.9486 12.9793 85.2341 15.9715 -8.99011 32.9939 85.9191 34.3409 42.7755 TIMING: 3323200 CPU: 9895.78, 0.00295509/step Wall: 9895.78, 0.00295509/step, 1.37641 hours remaining, 207.250000 MB of memory in use. ENERGY: 3323200 729.4761 2036.3937 1973.8194 110.5916 -205910.3192 17630.0073 0.0000 0.0000 34083.2081 -149346.8231 297.6571 -183430.0312 -149251.1280 298.6307 -53.4317 -21.6791 557189.5955 2.0431 1.9456 PRESSURE: 3323400 -149.221 44.952 84.5129 44.9519 24.5355 -12.4757 84.5132 -12.4767 -161.072 GPRESSURE: 3323400 -134.829 115.095 93.6611 -3.59143 60.0208 14.4909 7.40782 -127.305 -120.996 PRESSAVG: 3323400 -3.82125 11.067 -2.18426 11.067 13.3871 16.6892 -2.18419 16.6893 2.47147 GPRESSAVG: 3323400 -3.85011 11.8434 -1.29721 10.0787 14.0461 16.871 -2.43967 15.916 1.75078 TIMING: 3323400 CPU: 9896.37, 0.00294314/step Wall: 9896.37, 0.00294314/step, 1.37068 hours remaining, 207.250000 MB of memory in use. ENERGY: 3323400 714.9698 2062.8310 1943.8821 118.7493 -206207.3927 17904.8694 0.0000 0.0000 34328.1584 -149133.9327 299.7963 -183462.0911 -149042.4625 299.1511 -95.2526 -65.2681 560357.4116 4.0124 3.9822 PRESSURE: 3323600 176.062 33.9244 14.1528 33.9244 141.041 -124.367 14.1527 -124.367 -324.261 GPRESSURE: 3323600 230.814 63.2365 -14.5159 77.7533 134.291 -86.3003 1.90452 -158.972 -261.351 PRESSAVG: 3323600 -13.3201 7.33473 -2.90864 7.33482 35.6615 -5.90605 -2.90869 -5.90614 -56.4923 GPRESSAVG: 3323600 -11.9402 5.84986 -4.84986 8.48218 33.8735 -8.69135 -2.69557 -7.55632 -56.2746 TIMING: 3323600 CPU: 9896.96, 0.00294268/step Wall: 9896.96, 0.00294268/step, 1.37031 hours remaining, 207.250000 MB of memory in use. ENERGY: 3323600 734.7695 2135.3632 1921.8175 98.6432 -206147.8718 17911.0081 0.0000 0.0000 34355.1138 -148991.1565 300.0318 -183346.2703 -148889.7626 299.5593 -2.3861 34.5845 558803.3038 -11.3836 -11.4471 PRESSURE: 3323800 348.876 -87.7225 -69.941 -87.723 28.7504 -157.768 -69.9418 -157.767 97.1407 GPRESSURE: 3323800 393.633 -29.523 -125.513 -155.545 60.4257 -222.26 -95.7907 -122.764 121.341 PRESSAVG: 3323800 51.1151 21.754 -9.21222 21.7541 -15.9641 -38.4155 -9.21216 -38.4154 -28.0607 GPRESSAVG: 3323800 50.2407 22.44 -8.30637 21.4326 -14.4607 -38.5884 -11.4292 -35.8589 -28.251 TIMING: 3323800 CPU: 9897.55, 0.00297512/step Wall: 9897.55, 0.00297512/step, 1.38525 hours remaining, 207.250000 MB of memory in use. ENERGY: 3323800 797.3491 2102.6594 1969.0207 125.9206 -206249.9133 18039.1631 0.0000 0.0000 34255.5181 -148960.2824 299.1620 -183215.8004 -148858.0570 300.3975 158.2558 191.8001 556623.0623 2.3635 2.5096 PRESSURE: 3324000 85.2627 -24.9417 93.4706 -24.9409 294.699 130.703 93.471 130.702 111.989 GPRESSURE: 3324000 118.219 -118.749 97.0953 -57.8599 332.895 137.492 87.8682 151.252 130.012 PRESSAVG: 3324000 47.1466 12.7214 17.672 12.7214 -39.4258 16.5772 17.672 16.5771 -8.84166 GPRESSAVG: 3324000 48.3294 11.9213 20.2116 12.1233 -40.2223 17.9595 16.4143 12.7732 -8.54347 TIMING: 3324000 CPU: 9898.15, 0.0029603/step Wall: 9898.15, 0.0029603/step, 1.37818 hours remaining, 207.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3324000 723.7641 2119.2561 1935.8917 116.9602 -206187.5794 18022.2858 0.0000 0.0000 34406.0123 -148863.4091 300.4763 -183269.4214 -148764.3092 299.7724 163.9838 193.7083 557667.0282 -0.3736 -0.1455 PRESSURE: 3324200 4.27304 -44.2518 -18.0566 -44.2526 -37.5608 48.7492 -18.0559 48.7489 -12.2459 GPRESSURE: 3324200 44.3575 -42.356 13.4205 -54.6068 -30.557 187.369 -65.3322 13.242 39.233 PRESSAVG: 3324200 26.01 -25.4057 11.2384 -25.4057 -61.8361 -2.45961 11.2384 -2.45972 27.3055 GPRESSAVG: 3324200 23.9833 -23.9909 8.89944 -24.8181 -61.4911 -2.09039 13.0623 -1.95332 29.1641 TIMING: 3324200 CPU: 9898.74, 0.00296263/step Wall: 9898.74, 0.00296263/step, 1.37911 hours remaining, 207.250000 MB of memory in use. ENERGY: 3324200 735.2963 2099.5810 1938.1381 110.6386 -205671.8613 17659.8229 0.0000 0.0000 34169.9282 -148958.4561 298.4145 -183128.3843 -148868.0437 300.1155 -15.1779 17.6778 558375.8657 -2.8402 -2.7812 LDB: ============= START OF LOAD BALANCING ============== 9902.29 LDB: ============== END OF LOAD BALANCING =============== 9902.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9902.29 LDB: ============= START OF LOAD BALANCING ============== 9902.58 LDB: Largest compute 4772 load 0.026655 is 22.5% of average load 0.118266 LDB: Average compute 0.001719 is 1.5% of average load 0.118266 LDB: TIME 9902.59 LOAD: AVG 0.118266 MAX 0.197701 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 9902.59 LOAD: AVG 0.118266 MAX 0.197701 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: TIME 9902.59 LOAD: AVG 0.118266 MAX 0.197701 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9902.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9902.59 PRESSURE: 3324400 13.6847 55.0482 -22.2622 55.0482 -239.457 -181.878 -22.2629 -181.879 -259.506 GPRESSURE: 3324400 19.6564 73.7139 -10.0067 -5.76673 -152.404 -171.358 -11.6564 -119.064 -251 PRESSAVG: 3324400 84.8945 -4.14911 25.6332 -4.14913 -45.6774 -15.2049 25.6331 -15.2049 -33.652 GPRESSAVG: 3324400 85.938 -4.79156 27.4689 -5.95313 -43.7217 -15.0445 23.9173 -12.349 -36.0032 TIMING: 3324400 CPU: 9899.34, 0.0030176/step Wall: 9899.34, 0.0030176/step, 1.40453 hours remaining, 206.742188 MB of memory in use. ENERGY: 3324400 745.4113 2125.4629 1915.2719 117.6839 -205719.3989 17558.1986 0.0000 0.0000 34355.1706 -148902.1997 300.0322 -183257.3703 -148809.9190 300.1911 -161.7596 -127.9157 556211.6713 1.8550 2.0710 PRESSURE: 3324600 -184.219 212.945 -21.8222 212.946 7.02914 95.9853 -21.823 95.9863 11.3929 GPRESSURE: 3324600 -127.799 137.914 -83.8774 264.371 41.8183 159.467 -96.3472 77.6626 28.9102 PRESSAVG: 3324600 39.3922 31.5711 33.9394 31.5711 -27.2493 -10.48 33.9395 -10.4801 9.60968 GPRESSAVG: 3324600 38.9359 32.8885 30.5174 32.3572 -28.2789 -11.5141 35.8151 -11.2672 11.206 TIMING: 3324600 CPU: 9899.93, 0.00295026/step Wall: 9899.93, 0.00295026/step, 1.37302 hours remaining, 206.781250 MB of memory in use. ENERGY: 3324600 770.6070 2045.8940 1898.1349 116.0631 -205842.7519 17682.8792 0.0000 0.0000 34525.6204 -148803.5534 301.5208 -183329.1737 -148693.3416 300.3302 -55.2656 -19.0233 558119.3105 7.2508 7.2877 PRESSURE: 3324800 289.127 54.1191 62.3527 54.1183 2.47046 29.6245 62.3525 29.624 -48.7422 GPRESSURE: 3324800 305.559 63.6925 131.131 0.978151 49.5955 46.1371 87.0218 81.5716 -15.761 PRESSAVG: 3324800 7.0639 38.5213 2.47466 38.5213 -47.62 37.1597 2.47469 37.1596 17.4903 GPRESSAVG: 3324800 7.58434 36.7595 4.66067 39.0068 -48.1854 36.7637 2.14072 34.1461 17.4165 TIMING: 3324800 CPU: 9900.52, 0.00294925/step Wall: 9900.52, 0.00294925/step, 1.37238 hours remaining, 206.781250 MB of memory in use. ENERGY: 3324800 746.8547 2055.4623 1931.0213 111.4526 -206338.4841 18012.1490 0.0000 0.0000 34551.9228 -148929.6213 301.7505 -183481.5441 -148831.7780 300.6579 80.9518 113.1311 556992.2605 -7.6886 -7.7282 PRESSURE: 3325000 -16.1348 -56.1037 30.3685 -56.1028 28.6884 23.3108 30.368 23.3097 61.8679 GPRESSURE: 3325000 1.14311 25.3038 6.13324 -82.4604 52.3241 128.849 1.36031 -48.6742 117.24 PRESSAVG: 3325000 22.1894 37.6795 14.6824 37.6794 -55.7334 10.9128 14.6824 10.9129 7.48747 GPRESSAVG: 3325000 22.2888 39.0041 15.0529 35.5248 -54.9875 12.6403 14.1911 12.7131 6.6525 TIMING: 3325000 CPU: 9901.11, 0.00293898/step Wall: 9901.11, 0.00293898/step, 1.36744 hours remaining, 206.781250 MB of memory in use. ENERGY: 3325000 745.8865 2054.2657 1913.8776 121.2875 -206049.9532 17765.0323 0.0000 0.0000 34369.7574 -149079.8463 300.1596 -183449.6037 -148980.1972 299.8003 24.8072 56.9025 557914.0774 -8.6855 -8.6821 PRESSURE: 3325200 -107.648 -23.9804 -18.426 -23.9807 -21.8489 -153.912 -18.4262 -153.913 -94.0991 GPRESSURE: 3325200 -84.1505 -41.3121 -34.4248 -42.419 32.3659 -73.5517 -43.314 -195.651 -74.7513 PRESSAVG: 3325200 70.8875 -15.2984 17.6057 -15.2984 -10.3753 2.34029 17.6056 2.34036 -34.5995 GPRESSAVG: 3325200 71.2334 -15.2483 16.7766 -14.4783 -10.8125 1.39418 17.2192 3.0481 -34.5318 TIMING: 3325200 CPU: 9901.69, 0.00291387/step Wall: 9901.69, 0.00291387/step, 1.3556 hours remaining, 206.781250 MB of memory in use. ENERGY: 3325200 751.9231 2124.5887 1953.3989 134.1342 -205925.2731 17669.5360 0.0000 0.0000 34265.2081 -149026.4841 299.2466 -183291.6922 -148932.4698 299.4502 -74.5319 -42.1786 557743.2705 8.6376 8.6297 PRESSURE: 3325400 -51.2757 31.6247 -19.76 31.6244 -151.841 166.096 -19.7597 166.096 -105.145 GPRESSURE: 3325400 -13.9968 11.5169 27.7141 41.3821 -64.3877 100.449 2.12414 162.236 -138.509 PRESSAVG: 3325400 -13.4535 23.212 24.9085 23.212 -10.9949 -11.365 24.9085 -11.365 -5.47472 GPRESSAVG: 3325400 -12.7234 22.5443 24.507 23.5641 -11.9974 -12.6049 26.6687 -10.0819 -4.73992 TIMING: 3325400 CPU: 9902.28, 0.00293723/step Wall: 9902.28, 0.00293723/step, 1.3663 hours remaining, 206.781250 MB of memory in use. ENERGY: 3325400 709.4046 2087.5462 1930.1981 125.9102 -205825.8425 17533.3591 0.0000 0.0000 34364.7544 -149074.6699 300.1159 -183439.4244 -148978.6036 299.8418 -102.7538 -72.2978 558229.8371 -9.9744 -9.8203 PRESSURE: 3325600 -28.6026 -67.6332 31.9369 -67.6337 25.8779 -47.028 31.9357 -47.028 -16.7784 GPRESSURE: 3325600 7.65104 -67.4122 88.2309 -35.056 50.9054 -92.6719 29.9554 5.89657 8.4114 PRESSAVG: 3325600 38.5357 -27.8487 41.2918 -27.8487 -7.27185 -1.77871 41.292 -1.77864 -31.1372 GPRESSAVG: 3325600 37.9607 -29.6433 41.2501 -25.1762 -6.64968 -3.79603 39.7223 -1.7715 -31.4992 TIMING: 3325600 CPU: 9902.87, 0.0029562/step Wall: 9902.87, 0.0029562/step, 1.37496 hours remaining, 206.781250 MB of memory in use. ENERGY: 3325600 756.1081 2054.9450 1974.8945 104.6667 -206040.9465 17688.1198 0.0000 0.0000 34369.6706 -149092.5417 300.1589 -183462.2123 -148996.3105 299.7053 -6.5011 22.3226 557878.4028 0.0422 -0.0627 PRESSURE: 3325800 53.2358 -10.1101 34.4414 -10.1103 7.13405 34.1446 34.4403 34.1434 34.867 GPRESSURE: 3325800 106.645 11.883 -27.5796 -54.7865 -7.62061 33.0844 80.4334 89.5817 93.7496 PRESSAVG: 3325800 32.5517 15.5554 30.876 15.5555 -4.84107 6.06268 30.8761 6.06269 20.83 GPRESSAVG: 3325800 34.1096 15.7682 32.451 12.7216 -5.75812 9.11023 31.2359 7.5619 20.1181 TIMING: 3325800 CPU: 9903.47, 0.00297195/step Wall: 9903.47, 0.00297195/step, 1.38212 hours remaining, 206.781250 MB of memory in use. ENERGY: 3325800 790.6262 2062.2510 1913.4395 106.4932 -206098.1663 17807.9648 0.0000 0.0000 34175.1931 -149242.1985 298.4605 -183417.3916 -149145.4857 299.8761 31.7456 64.2581 557757.3435 16.1802 16.1565 PRESSURE: 3326000 -150.162 -186.785 47.9567 -186.784 64.5629 102.508 47.9568 102.508 -25.997 GPRESSURE: 3326000 -96.7217 -239.997 55.3381 -51.2455 93.1927 84.1459 96.4249 160.371 -8.35048 PRESSAVG: 3326000 14.3357 -11.5512 56.6913 -11.5512 57.8967 44.0692 56.6913 44.0692 -52.8695 GPRESSAVG: 3326000 13.8924 -8.68268 53.3638 -11.5074 57.6595 43.3951 56.9549 40.925 -52.2185 TIMING: 3326000 CPU: 9904.06, 0.0029521/step Wall: 9904.06, 0.0029521/step, 1.37273 hours remaining, 206.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3326000 763.5875 2091.8380 1928.7223 113.4295 -206150.6866 17734.6820 0.0000 0.0000 34079.6788 -149438.7485 297.6263 -183518.4273 -149343.9964 298.5719 -37.1987 -3.9598 557618.2862 6.4543 6.4444 PRESSURE: 3326200 19.85 119.405 37.6525 119.406 -110.773 -133.85 37.6525 -133.85 -188.886 GPRESSURE: 3326200 54.2465 126.51 -3.18101 48.167 -67.9707 -50.0956 42.0219 -210.256 -179.463 PRESSAVG: 3326200 31.1913 -19.1191 42.9564 -19.119 7.39005 6.077 42.9565 6.07701 -45.4675 GPRESSAVG: 3326200 30.5358 -20.9503 45.7993 -19.217 8.11512 5.94488 42.6371 6.00834 -45.864 TIMING: 3326200 CPU: 9904.64, 0.00292901/step Wall: 9904.64, 0.00292901/step, 1.36183 hours remaining, 206.781250 MB of memory in use. ENERGY: 3326200 772.3269 2088.6714 1943.3262 114.0876 -206411.8601 17812.3848 0.0000 0.0000 34243.5728 -149437.4904 299.0576 -183681.0632 -149331.0010 298.6087 -93.2697 -64.3958 556428.2620 -2.2954 -2.4043 PRESSURE: 3326400 -58.2269 0.601148 -98.2147 0.600636 99.1283 -278.018 -98.2146 -278.018 -98.4462 GPRESSURE: 3326400 -50.379 -26.3308 -129.895 61.9098 155.82 -228.261 56.9834 -309.847 -66.2766 PRESSAVG: 3326400 -1.73448 10.6683 24.0983 10.6683 39.8426 -52.5816 24.0983 -52.5816 15.6014 GPRESSAVG: 3326400 -2.1737 10.5055 23.4445 12.2833 39.5457 -51.3049 24.6837 -50.6662 16.2372 TIMING: 3326400 CPU: 9905.23, 0.00295542/step Wall: 9905.23, 0.00295541/step, 1.37394 hours remaining, 206.781250 MB of memory in use. ENERGY: 3326400 788.4168 2117.3765 1957.1780 123.5866 -206440.9504 17761.3314 0.0000 0.0000 34211.5816 -149481.4796 298.7783 -183693.0612 -149392.7064 298.8917 -19.1816 13.0549 556262.5322 17.9032 17.8697 PRESSURE: 3326600 -376.928 93.4696 -52.4338 93.4697 84.3178 -33.2403 -52.4338 -33.2402 -175.389 GPRESSURE: 3326600 -359.871 141.259 -92.6609 72.7193 119.742 -28.1262 -54.7721 -56.9849 -143.091 PRESSAVG: 3326600 -121.22 20.7043 -27.4461 20.7042 4.50405 -4.8324 -27.4461 -4.83251 84.4597 GPRESSAVG: 3326600 -121.576 21.5116 -28.6359 18.0924 5.38891 -5.99995 -27.5775 -5.8443 83.9022 TIMING: 3326600 CPU: 9905.83, 0.00298941/step Wall: 9905.83, 0.00298941/step, 1.38958 hours remaining, 206.781250 MB of memory in use. ENERGY: 3326600 728.8846 2107.0035 1909.9344 115.2844 -206191.9328 17649.7896 0.0000 0.0000 34213.2725 -149467.7638 298.7930 -183681.0363 -149370.1574 298.0326 -155.9999 -127.7400 558811.3084 -10.7521 -10.7616 PRESSURE: 3326800 194.839 1.44724 -19.2623 1.44744 -50.856 -35.3886 -19.2619 -35.3889 134.915 GPRESSURE: 3326800 263.824 7.65539 34.2806 -29.9955 -25.764 -62.5126 -70.7393 -32.3275 140.99 PRESSAVG: 3326800 -1.46925 -21.1277 42.0403 -21.1277 -9.65879 10.4126 42.0402 10.4126 35.9221 GPRESSAVG: 3326800 -0.765095 -23.1045 43.6848 -18.4218 -10.7588 9.83302 42.4482 12.3135 35.9275 TIMING: 3326800 CPU: 9906.43, 0.00298681/step Wall: 9906.43, 0.00298681/step, 1.3882 hours remaining, 206.781250 MB of memory in use. ENERGY: 3326800 738.9170 2058.8907 1928.8018 110.2989 -206489.9616 18004.7601 0.0000 0.0000 34227.2015 -149421.0916 298.9147 -183648.2931 -149321.6467 298.4745 92.9658 126.3499 558003.9194 8.2647 8.1345 PRESSURE: 3327000 -5.48539 -58.317 57.9833 -58.3167 159.183 -32.3523 57.9826 -32.3531 -224.432 GPRESSURE: 3327000 -28.1136 -55.8751 38.0891 20.8727 148.009 22.7667 132.407 -10.3456 -95.6262 PRESSAVG: 3327000 -9.89599 -39.8963 29.3356 -39.8963 -17.1878 -48.9671 29.3357 -48.9672 45.3472 GPRESSAVG: 3327000 -10.3825 -37.2311 28.5223 -40.872 -17.378 -48.2522 28.4215 -51.8705 46.2569 TIMING: 3327000 CPU: 9907.02, 0.00295923/step Wall: 9907.02, 0.00295923/step, 1.37522 hours remaining, 206.781250 MB of memory in use. ENERGY: 3327000 755.1057 2003.2903 1965.1704 102.5996 -206338.9621 17974.0888 0.0000 0.0000 34077.5370 -149461.1704 297.6076 -183538.7074 -149358.6977 299.3845 -23.5782 8.0896 558482.3920 6.0878 6.1655 PRESSURE: 3327200 -115.591 -135.547 -93.8501 -135.547 -150.574 105.624 -93.8501 105.624 -159.278 GPRESSURE: 3327200 -59.7875 -164.075 -130.909 -69.3261 -129.543 158.022 -95.4389 157.224 -111.792 PRESSAVG: 3327200 -3.97097 -12.7416 -12.9824 -12.7417 20.6227 -36.3194 -12.9824 -36.3194 35.9539 GPRESSAVG: 3327200 -3.64804 -15.9169 -11.8348 -13.5827 20.9165 -37.4562 -11.433 -35.965 35.4736 TIMING: 3327200 CPU: 9907.61, 0.00295082/step Wall: 9907.61, 0.00295082/step, 1.37115 hours remaining, 206.781250 MB of memory in use. ENERGY: 3327200 743.8541 2009.4549 1987.8114 118.2097 -205934.9846 17765.0982 0.0000 0.0000 33923.8502 -149386.7061 296.2654 -183310.5564 -149287.9409 298.4399 -141.8142 -100.3744 559166.9957 17.5352 17.5807 PRESSURE: 3327400 102.223 30.7822 70.1437 30.7814 384.943 16.0324 70.1445 16.0313 260.958 GPRESSURE: 3327400 135.866 7.93073 147.329 25.8162 430.845 4.97213 -20.8303 -51.7389 285.67 PRESSAVG: 3327400 -64.8189 -37.8369 16.8653 -37.8367 -21.1891 -39.4632 16.8653 -39.4633 95.2296 GPRESSAVG: 3327400 -64.7103 -38.1049 15.6821 -37.5291 -21.7439 -36.3763 16.5626 -40.9633 95.8063 TIMING: 3327400 CPU: 9908.21, 0.0029747/step Wall: 9908.21, 0.0029747/step, 1.38208 hours remaining, 206.781250 MB of memory in use. ENERGY: 3327400 770.0685 2088.6198 1919.4220 116.0000 -206872.5018 18231.3170 0.0000 0.0000 34194.9785 -149552.0961 298.6333 -183747.0746 -149463.0011 299.3650 249.3748 284.1269 557113.5410 3.0738 3.1174 PRESSURE: 3327600 19.5321 -134.678 -119.145 -134.679 -129.742 -15.4164 -119.145 -15.4168 266.728 GPRESSURE: 3327600 33.2907 -143.142 -116.274 -101.483 -83.4055 -24.7871 -95.5896 -1.7049 296.708 PRESSAVG: 3327600 -59.4001 -29.2 21.1475 -29.1999 -1.37276 -16.9673 21.1475 -16.9672 56.711 GPRESSAVG: 3327600 -59.7718 -26.1153 23.3126 -29.8536 -0.784588 -17.4832 19.2211 -16.6259 56.1641 TIMING: 3327600 CPU: 9908.8, 0.00297557/step Wall: 9908.8, 0.00297557/step, 1.38232 hours remaining, 206.781250 MB of memory in use. ENERGY: 3327600 766.2636 2127.6019 1936.0021 125.5788 -206617.9427 18152.2687 0.0000 0.0000 34073.8720 -149436.3555 297.5756 -183510.2275 -149342.3465 298.7872 52.1728 82.1978 558076.8244 -1.3540 -1.4641 PRESSURE: 3327800 -198.399 -212.995 -88.4162 -212.994 312.266 -205.684 -88.415 -205.685 -230.242 GPRESSURE: 3327800 -197.81 -204.549 -52.5206 -217.929 288.808 -122.617 -1.82573 -235.064 -112.979 PRESSAVG: 3327800 10.1038 -41.1192 -33.558 -41.1191 -66.893 -45.7301 -33.5578 -45.7301 23.5382 GPRESSAVG: 3327800 9.4611 -42.9605 -34.8246 -39.3811 -65.7798 -47.2046 -32.7183 -44.32 23.2709 TIMING: 3327800 CPU: 9909.39, 0.00296285/step Wall: 9909.39, 0.00296285/step, 1.37624 hours remaining, 206.781250 MB of memory in use. ENERGY: 3327800 788.8849 2064.3173 1915.8483 117.9796 -206115.7994 17793.4396 0.0000 0.0000 34132.7401 -149302.5897 298.0897 -183435.3298 -149201.6973 298.6148 -38.7917 -7.3268 557551.8996 -11.0837 -11.0159 PRESSURE: 3328000 120.989 -53.2882 -76.4236 -53.2881 -134.986 83.9772 -76.423 83.9767 -263.294 GPRESSURE: 3328000 74.4798 -45.5351 -66.0578 -60.1202 -65.4992 179.755 -49.5064 34.0316 -188.126 PRESSAVG: 3328000 41.2537 -52.4356 -8.08791 -52.4355 -10.353 -49.276 -8.08801 -49.2761 -24.8946 GPRESSAVG: 3328000 42.3764 -52.3985 -8.33336 -52.7966 -11.1029 -49.8497 -8.85534 -49.5219 -25.1657 TIMING: 3328000 CPU: 9909.98, 0.00294764/step Wall: 9909.98, 0.00294764/step, 1.36901 hours remaining, 206.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3328000 717.4452 2057.6102 1922.8898 114.4641 -206286.8600 17766.7774 0.0000 0.0000 34423.1855 -149284.4880 300.6262 -183707.6734 -149189.4421 299.2688 -92.4303 -59.7151 557800.8381 2.0020 2.0360 PRESSURE: 3328200 -260.588 44.056 -146.809 44.0563 -34.8825 -68.9747 -146.809 -68.9746 -129.567 GPRESSURE: 3328200 -182.023 15.0513 -136.54 84.2971 -36.0662 -92.2023 -69.2976 -44.5813 -114.328 PRESSAVG: 3328200 19.7076 10.8679 -35.8094 10.8679 48.7491 1.02597 -35.8093 1.02598 -4.55267 GPRESSAVG: 3328200 20.6076 11.9667 -36.4794 10.2333 48.5616 0.668197 -33.8254 1.85892 -5.39528 TIMING: 3328200 CPU: 9910.57, 0.0029384/step Wall: 9910.57, 0.0029384/step, 1.36456 hours remaining, 206.781250 MB of memory in use. ENERGY: 3328200 731.8017 2111.0040 1932.2583 118.9787 -206061.1527 17827.3582 0.0000 0.0000 34229.0844 -149110.6674 298.9311 -183339.7518 -149012.8987 299.6729 -141.6791 -110.8058 559171.0240 21.3014 21.2580 LDB: ============= START OF LOAD BALANCING ============== 9914.11 LDB: ============== END OF LOAD BALANCING =============== 9914.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9914.12 LDB: ============= START OF LOAD BALANCING ============== 9914.41 LDB: Largest compute 4772 load 0.025900 is 21.9% of average load 0.118205 LDB: Average compute 0.001721 is 1.5% of average load 0.118205 LDB: TIME 9914.41 LOAD: AVG 0.118205 MAX 0.195434 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.285 MB LDB: TIME 9914.41 LOAD: AVG 0.118205 MAX 0.195434 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.285 MB LDB: TIME 9914.41 LOAD: AVG 0.118205 MAX 0.195434 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.285 MB LDB: ============== END OF LOAD BALANCING =============== 9914.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9914.42 PRESSURE: 3328400 102.546 -46.2494 109.469 -46.2496 38.0604 -85.6745 109.469 -85.6735 -93.8923 GPRESSURE: 3328400 144.144 41.4669 129.985 -125.762 103.633 -65.6295 92.2377 -98.6582 -109.006 PRESSAVG: 3328400 -3.62617 0.34822 16.8718 0.348186 -55.624 9.69105 16.8718 9.69111 25.5841 GPRESSAVG: 3328400 -4.20846 -2.01929 15.9745 3.73623 -56.4247 10.55 15.414 8.2273 26.5985 TIMING: 3328400 CPU: 9911.17, 0.00299567/step Wall: 9911.17, 0.00299567/step, 1.39099 hours remaining, 207.253906 MB of memory in use. ENERGY: 3328400 742.4012 2011.0991 1959.2953 112.9707 -206131.6366 17688.0880 0.0000 0.0000 34350.1262 -149267.6561 299.9882 -183617.7823 -149172.3625 299.1957 15.5714 46.2569 557310.2724 -11.2220 -11.3449 PRESSURE: 3328600 -119.611 32.1852 58.4055 32.1861 -117.701 -49.868 58.4059 -49.8684 -106.77 GPRESSURE: 3328600 -83.0789 4.6647 80.2395 91.4701 -77.4954 -72.0476 64.1009 -65.5847 -92.6582 PRESSAVG: 3328600 -7.3336 -34.5176 16.3316 -34.5176 -2.28764 -6.87737 16.3315 -6.87732 17.3093 GPRESSAVG: 3328600 -7.79768 -33.1049 15.9173 -35.7695 -1.42741 -7.81953 16.1325 -6.79589 16.4266 TIMING: 3328600 CPU: 9911.76, 0.00292803/step Wall: 9911.76, 0.00292803/step, 1.35942 hours remaining, 207.253906 MB of memory in use. ENERGY: 3328600 759.7278 2005.0897 1924.8221 99.5183 -206131.5931 17670.4672 0.0000 0.0000 34293.5792 -149378.3887 299.4944 -183671.9679 -149284.7567 299.2847 -114.6942 -84.4108 557963.0956 2.5627 2.4005 PRESSURE: 3328800 375.697 -143.459 113.901 -143.459 18.7009 154.997 113.9 154.998 -11.7406 GPRESSURE: 3328800 430.588 -126.087 91.3134 -205.02 46.5354 153.423 78.6961 131.721 10.7665 PRESSAVG: 3328800 62.3246 -21.1275 -5.95218 -21.1277 -70.4008 33.488 -5.95215 33.488 4.9336 GPRESSAVG: 3328800 62.3962 -21.518 -5.99804 -23.1383 -70.9588 34.2757 -6.22535 35.047 5.89504 TIMING: 3328800 CPU: 9912.35, 0.00295842/step Wall: 9912.35, 0.00295842/step, 1.37337 hours remaining, 207.253906 MB of memory in use. ENERGY: 3328800 738.0420 2135.1787 1926.9395 119.4213 -206732.7428 18106.8576 0.0000 0.0000 34465.4951 -149240.8086 300.9957 -183706.3036 -149144.6038 299.7136 127.5526 162.6301 559076.1215 -1.0475 -0.8892 PRESSURE: 3329000 106.954 62.8348 -5.42956 62.8358 -207.088 55.4766 -5.42794 55.4771 -51.0962 GPRESSURE: 3329000 111.136 134.772 -10.7969 86.123 -174.693 92.0678 -98.1563 66.2161 6.99124 PRESSAVG: 3329000 -1.83827 -25.9447 -49.8583 -25.9447 -11.9299 51.3677 -49.8582 51.3676 40.5449 GPRESSAVG: 3329000 -2.77657 -24.1877 -49.3024 -25.9145 -11.0492 52.5281 -47.3946 49.5896 40.6576 TIMING: 3329000 CPU: 9912.94, 0.00296501/step Wall: 9912.94, 0.00296501/step, 1.37626 hours remaining, 207.253906 MB of memory in use. ENERGY: 3329000 730.0266 2083.0367 1912.2406 112.5549 -206027.3937 17816.7010 0.0000 0.0000 34105.2443 -149267.5896 297.8496 -183372.8339 -149172.3116 298.7270 -50.4099 -18.8552 558070.9384 8.9256 8.9439 PRESSURE: 3329200 -106.465 113.626 51.327 113.626 191.486 31.659 51.3269 31.6575 -120.179 GPRESSURE: 3329200 -63.252 50.9134 79.1039 161.015 225.041 72.1034 -1.44884 43.003 -87.5219 PRESSAVG: 3329200 -20.4523 34.4236 -54.9559 34.4236 23.3293 58.0296 -54.9558 58.0298 24.8 GPRESSAVG: 3329200 -19.792 34.5834 -55.6316 34.7078 22.7562 57.4535 -55.7714 58.4575 25.0276 TIMING: 3329200 CPU: 9913.53, 0.00295136/step Wall: 9913.53, 0.00295135/step, 1.36976 hours remaining, 207.253906 MB of memory in use. ENERGY: 3329200 742.2713 2104.4132 1944.5212 112.7790 -205974.8855 17753.3195 0.0000 0.0000 34203.7231 -149113.8582 298.7096 -183317.5813 -149018.2625 299.7592 -11.7194 24.7556 558045.6408 9.2257 9.3306 PRESSURE: 3329400 56.064 104.938 85.7317 104.938 -19.9721 0.25839 85.7309 0.257911 -112.219 GPRESSURE: 3329400 99.7749 113.463 116.972 124.296 24.0303 13.2879 146.598 9.65647 -98.5437 PRESSAVG: 3329400 -23.0252 6.02626 38.7866 6.02626 14.8504 85.0071 38.7866 85.007 42.2226 GPRESSAVG: 3329400 -22.141 7.06095 40.4981 5.92437 15.4892 83.6886 40.1997 86.8205 41.2711 TIMING: 3329400 CPU: 9914.12, 0.00294586/step Wall: 9914.12, 0.00294586/step, 1.36704 hours remaining, 207.253906 MB of memory in use. ENERGY: 3329400 764.3315 2026.9809 1957.4761 124.0802 -206142.4990 17842.7623 0.0000 0.0000 34317.5564 -149109.3115 299.7038 -183426.8680 -149009.0101 299.3772 -25.3756 8.4205 557282.7782 11.3493 11.5398 PRESSURE: 3329600 -131.744 25.7674 -64.2817 25.7666 85.9767 54.506 -64.2812 54.5072 230.168 GPRESSURE: 3329600 -75.1785 42.1683 -0.97387 133.413 96.114 53.1556 -55.6268 48.9225 258.072 PRESSAVG: 3329600 -54.4695 2.42935 -9.39064 2.42924 1.68124 -54.9592 -9.39048 -54.9592 14.6929 GPRESSAVG: 3329600 -55.5883 0.882134 -9.54699 1.18818 1.40063 -52.8884 -12.1875 -56.0317 16.2014 TIMING: 3329600 CPU: 9914.71, 0.00297758/step Wall: 9914.71, 0.00297758/step, 1.3816 hours remaining, 207.253906 MB of memory in use. ENERGY: 3329600 768.4483 2056.0336 1915.6449 118.2049 -206277.5154 17915.5034 0.0000 0.0000 34543.4684 -148960.2119 301.6767 -183503.6803 -148862.4994 299.7505 61.4668 93.0024 556146.7142 -12.6985 -12.6621 PRESSURE: 3329800 -257.689 100.455 26.1598 100.455 103.635 -341.685 26.1591 -341.684 -39.038 GPRESSURE: 3329800 -230.531 81.3753 22.3448 127.913 145.459 -440.385 -19.9297 -355.449 -14.3591 PRESSAVG: 3329800 -60.481 11.9673 -12.2045 11.9672 36.4915 -78.3158 -12.2045 -78.3156 3.72828 GPRESSAVG: 3329800 -59.1334 11.1441 -15.6551 15.7017 36.6304 -77.9837 -8.72767 -78.6502 1.17413 TIMING: 3329800 CPU: 9915.3, 0.00294193/step Wall: 9915.3, 0.00294193/step, 1.36489 hours remaining, 207.253906 MB of memory in use. ENERGY: 3329800 744.6383 2114.8933 1926.3238 108.5287 -206185.6122 17748.6509 0.0000 0.0000 34588.0927 -148954.4845 302.0664 -183542.5772 -148854.9607 300.2452 -64.3638 -33.1439 558175.2635 -6.7537 -7.1096 PRESSURE: 3330000 33.7528 -3.47861 -142.499 -3.47947 -125.201 -6.46107 -142.5 -6.46023 -59.3856 GPRESSURE: 3330000 13.2049 35.3007 -102.695 16.5178 -96.26 44.2458 -168.548 -35.5291 21.0071 PRESSAVG: 3330000 -19.6974 -41.1785 17.4037 -41.1785 -19.7436 -98.4951 17.4037 -98.4951 22.2658 GPRESSAVG: 3330000 -20.5493 -41.0832 18.8632 -43.726 -20.0514 -99.9456 16.0225 -96.6269 23.5458 TIMING: 3330000 CPU: 9915.89, 0.00293119/step Wall: 9915.89, 0.00293119/step, 1.35975 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3330000 765.8627 2113.4176 1932.7585 115.0684 -205781.4046 17667.3671 0.0000 0.0000 34308.0739 -148878.8564 299.6209 -183186.9303 -148789.0689 300.7786 -50.2779 -20.6827 557896.8459 -5.7251 -5.6850 PRESSURE: 3330200 -134.583 79.5598 -9.91737 79.5585 43.836 -27.2154 -9.91743 -27.2161 28.6991 GPRESSURE: 3330200 -83.1066 92.7387 -15.1296 17.885 82.9611 7.36714 -42.1104 -79.8368 37.8453 PRESSAVG: 3330200 -57.1071 -10.952 -20.1409 -10.952 -9.91009 -8.14827 -20.1409 -8.14833 67.332 GPRESSAVG: 3330200 -57.0356 -8.88545 -18.2075 -9.90135 -9.33411 -8.37413 -22.4382 -7.97075 66.9921 TIMING: 3330200 CPU: 9916.47, 0.00292198/step Wall: 9916.47, 0.00292198/step, 1.35531 hours remaining, 207.253906 MB of memory in use. ENERGY: 3330200 749.8048 2080.6433 1964.0599 127.7269 -206047.2820 17824.8495 0.0000 0.0000 34377.8583 -148922.3393 300.2304 -183300.1976 -148822.8430 300.6858 -20.6826 12.5666 559123.2595 0.1049 0.2074 PRESSURE: 3330400 -59.8239 26.4143 11.5053 26.4143 59.1421 -14.6168 11.5063 -14.6172 223.771 GPRESSURE: 3330400 -27.484 -34.562 10.1272 75.2084 111.706 23.1352 70.5177 -109.56 233.845 PRESSAVG: 3330400 -62.8862 -27.0693 -32.0597 -27.0693 9.22799 -7.12578 -32.0597 -7.12573 25.2283 GPRESSAVG: 3330400 -63.2852 -28.579 -34.0284 -26.5228 9.25456 -6.37 -31.1949 -8.59075 25.4682 TIMING: 3330400 CPU: 9917.06, 0.00292462/step Wall: 9917.06, 0.00292462/step, 1.35638 hours remaining, 207.253906 MB of memory in use. ENERGY: 3330400 690.2834 2085.1343 1926.8275 113.3417 -206138.2108 17982.2085 0.0000 0.0000 34436.8672 -148903.5482 300.7457 -183340.4154 -148815.0007 300.2926 74.3631 106.0224 558973.9380 -9.4766 -9.5208 PRESSURE: 3330600 -39.6514 6.21815 -92.2289 6.21829 46.8562 -68.338 -92.2279 -68.3402 -181.448 GPRESSURE: 3330600 -40.0866 31.5624 -82.9329 -9.09666 93.2793 -102.494 -94.5044 -58.4299 -129.765 PRESSAVG: 3330600 8.44736 -26.1845 -24.8684 -26.1846 -55.4822 -66.238 -24.8684 -66.238 4.23651 GPRESSAVG: 3330600 9.08957 -25.0499 -25.7403 -27.2764 -57.5331 -66.9388 -24.1978 -63.4888 5.30625 TIMING: 3330600 CPU: 9917.65, 0.00293575/step Wall: 9917.65, 0.00293575/step, 1.36137 hours remaining, 207.253906 MB of memory in use. ENERGY: 3330600 730.0732 2117.3994 1912.0913 105.5275 -205838.0553 17812.5606 0.0000 0.0000 34285.9729 -148874.4303 299.4279 -183160.4032 -148772.9262 300.4788 -58.0811 -25.5242 557400.5008 -14.2661 -14.3791 PRESSURE: 3330800 -218.744 1.14717 34.6431 1.14845 -130.584 -61.8434 34.6416 -61.8448 -242.966 GPRESSURE: 3330800 -222.157 32.2939 45.0247 -70.4983 -113.954 -26.9485 33.3837 -8.80377 -149.515 PRESSAVG: 3330800 -31.0561 42.9672 19.6668 42.9672 7.59666 -19.8088 19.6668 -19.8088 -18.2245 GPRESSAVG: 3330800 -32.099 42.5746 21.8604 44.5557 8.24812 -19.7931 19.3809 -21.0465 -17.3663 TIMING: 3330800 CPU: 9918.24, 0.00295309/step Wall: 9918.24, 0.00295309/step, 1.36925 hours remaining, 207.253906 MB of memory in use. ENERGY: 3330800 743.3050 2145.7208 1938.5942 97.8996 -205663.9531 17296.0651 0.0000 0.0000 34590.7513 -148851.6171 302.0896 -183442.3684 -148755.0777 299.9297 -197.4315 -161.8754 557106.0579 -13.8946 -13.7390 PRESSURE: 3331000 -127.336 -38.4748 -60.6633 -38.4745 -111.679 -70.2786 -60.6643 -70.2798 -282.304 GPRESSURE: 3331000 -125.967 9.22821 18.925 -22.5944 -32.2849 -75.1029 -151.248 -133.573 -256.623 PRESSAVG: 3331000 5.23837 -21.5029 -45.3515 -21.5028 -27.8354 44.3228 -45.3516 44.3228 9.2806 GPRESSAVG: 3331000 5.27704 -22.2652 -45.0915 -22.1165 -27.0588 44.3195 -45.3583 42.9773 8.44714 TIMING: 3331000 CPU: 9918.83, 0.00295063/step Wall: 9918.83, 0.00295063/step, 1.36795 hours remaining, 207.253906 MB of memory in use. ENERGY: 3331000 743.0845 2077.6408 1937.5939 122.4312 -205630.1326 17418.3533 0.0000 0.0000 34482.3583 -148848.6706 301.1430 -183331.0289 -148755.4935 300.2796 -173.7730 -138.2914 557177.0872 -4.4388 -4.4449 PRESSURE: 3331200 -210.476 -80.2244 151.438 -80.2225 -25.0658 -41.1134 151.437 -41.1132 20.6323 GPRESSURE: 3331200 -188.779 -105.619 196.152 -57.6094 44.3145 10.2259 178.982 -128.253 30.038 PRESSAVG: 3331200 26.2609 -53.6175 39.461 -53.6176 -24.1177 31.5187 39.461 31.5186 11.7129 GPRESSAVG: 3331200 26.4101 -53.6117 40.4412 -54.3507 -24.0859 33.0802 38.75 31.641 11.533 TIMING: 3331200 CPU: 9919.42, 0.0029476/step Wall: 9919.42, 0.0029476/step, 1.36638 hours remaining, 207.253906 MB of memory in use. ENERGY: 3331200 786.1806 2038.2944 1918.5081 115.4921 -205616.4704 17766.0582 0.0000 0.0000 34197.6724 -148794.2645 298.6568 -182991.9369 -148695.9939 300.7624 -71.6364 -38.1420 558308.9236 4.6187 4.6191 PRESSURE: 3331400 -15.0341 112.582 -50.0153 112.581 -180.414 -16.198 -50.015 -16.1978 -117.084 GPRESSURE: 3331400 2.16823 101.282 3.0085 149.776 -152.783 -28.6441 -39.8072 26.4831 -66.9004 PRESSAVG: 3331400 27.1414 3.42361 23.6632 3.42361 -32.7761 17.4346 23.6633 17.4345 -41.1773 GPRESSAVG: 3331400 26.8356 4.0898 21.7741 3.75586 -32.7059 17.5209 25.3435 17.9277 -41.0522 TIMING: 3331400 CPU: 9920.01, 0.00296082/step Wall: 9920.01, 0.00296082/step, 1.37234 hours remaining, 207.253906 MB of memory in use. ENERGY: 3331400 713.2579 1993.2967 1939.7807 123.6772 -205417.1562 17381.6412 0.0000 0.0000 34476.1101 -148789.3924 301.0884 -183265.5026 -148690.0326 300.9125 -104.1776 -72.5049 557298.1131 -15.6040 -15.6408 PRESSURE: 3331600 -137.354 248.713 52.278 248.714 -65.0486 -56.9192 52.278 -56.9191 96.1976 GPRESSURE: 3331600 -113.22 223.749 59.9377 211.625 19.1221 -24.6638 58.5763 -18.4159 87.7839 PRESSAVG: 3331600 31.0737 -0.110998 -21.4836 -0.110956 -18.3172 15.1209 -21.4837 15.121 30.3638 GPRESSAVG: 3331600 31.2528 -0.52254 -22.0754 -1.45399 -17.7601 14.4816 -21.8009 15.5708 29.993 TIMING: 3331600 CPU: 9920.61, 0.00298526/step Wall: 9920.61, 0.00298526/step, 1.3835 hours remaining, 207.253906 MB of memory in use. ENERGY: 3331600 768.0701 2042.0605 1929.0701 112.6042 -205453.1688 17615.0483 0.0000 0.0000 34246.8876 -148739.4281 299.0866 -182986.3157 -148650.7352 301.3952 -35.4017 -2.1046 556876.7966 14.3734 14.4952 PRESSURE: 3331800 -131.557 -165.195 4.4572 -165.194 21.6333 107.664 4.45897 107.663 45.6074 GPRESSURE: 3331800 -101.463 -158.688 -9.4811 -85.2327 -5.44536 112.472 30.4192 90.736 135.915 PRESSAVG: 3331800 -26.6464 19.9911 -28.8292 19.991 -5.1405 23.0821 -28.8292 23.0821 16.7098 GPRESSAVG: 3331800 -26.5269 20.5136 -27.4781 21.4511 -5.06038 21.4971 -28.8155 21.4624 16.7297 TIMING: 3331800 CPU: 9921.2, 0.00298079/step Wall: 9921.2, 0.0029808/step, 1.38127 hours remaining, 207.253906 MB of memory in use. ENERGY: 3331800 795.1344 2026.4648 1936.8739 112.3950 -205909.2547 17925.6495 0.0000 0.0000 34426.8454 -148685.8917 300.6582 -183112.7371 -148585.3891 300.7584 -21.4387 9.6689 559413.5378 -5.0257 -4.9525 PRESSURE: 3332000 -375.01 -188.663 -155.848 -188.664 -21.6171 -23.1095 -155.847 -23.1109 11.6639 GPRESSURE: 3332000 -349.069 -68.0628 -186.651 -243.162 24.5061 -15.6221 -168.134 -41.2749 35.0787 PRESSAVG: 3332000 -91.9072 -7.46523 -18.0032 -7.46527 57.5027 10.5327 -18.0033 10.5326 30.6463 GPRESSAVG: 3332000 -90.4482 -8.21048 -19.4145 -8.47142 56.2662 11.2825 -17.6905 11.8756 30.2324 TIMING: 3332000 CPU: 9921.79, 0.00292795/step Wall: 9921.79, 0.00292795/step, 1.35661 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3332000 751.9230 2083.6299 1907.7575 121.2717 -205619.2377 17566.1072 0.0000 0.0000 34479.3901 -148709.1583 301.1171 -183188.5484 -148613.0000 301.2549 -128.3209 -96.4947 558434.5003 -1.2527 -1.3165 PRESSURE: 3332200 -189.714 80.9191 -171.19 80.9188 11.7751 -22.8076 -171.191 -22.808 -169.561 GPRESSURE: 3332200 -137.17 40.5279 -179.753 58.4256 85.3678 37.8815 -155.459 -40.7102 -182.597 PRESSAVG: 3332200 -51.9351 5.56976 -53.8219 5.56982 10.5354 -13.5448 -53.8218 -13.5449 -8.85087 GPRESSAVG: 3332200 -52.0732 5.83182 -54.239 5.58044 11.5682 -14.3951 -55.4297 -13.9494 -9.20354 TIMING: 3332200 CPU: 9922.38, 0.00296049/step Wall: 9922.38, 0.00296049/step, 1.37153 hours remaining, 207.253906 MB of memory in use. ENERGY: 3332200 739.0467 2088.4818 1914.1279 118.0538 -205826.4652 17696.3621 0.0000 0.0000 34443.6753 -148826.7176 300.8052 -183270.3930 -148729.5606 300.2692 -115.8334 -78.1331 558400.9769 -16.7502 -16.5695 LDB: ============= START OF LOAD BALANCING ============== 9925.93 LDB: ============== END OF LOAD BALANCING =============== 9925.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9925.93 LDB: ============= START OF LOAD BALANCING ============== 9926.23 LDB: Largest compute 4772 load 0.026735 is 22.6% of average load 0.118280 LDB: Average compute 0.001729 is 1.5% of average load 0.118280 LDB: TIME 9926.23 LOAD: AVG 0.11828 MAX 0.200319 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.023 MB LDB: TIME 9926.23 LOAD: AVG 0.11828 MAX 0.200319 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.098 MB LDB: TIME 9926.23 LOAD: AVG 0.11828 MAX 0.200319 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.098 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9926.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9926.24 PRESSURE: 3332400 -220.894 -24.8511 23.7279 -24.8506 -368.113 -110.638 23.7276 -110.638 -174.607 GPRESSURE: 3332400 -151.491 29.9109 79.7821 57.8816 -339.804 -156.561 76.6116 -45.7792 -177.323 PRESSAVG: 3332400 -58.4992 -6.44607 14.8614 -6.44604 19.067 -11.1819 14.8614 -11.1819 22.1662 GPRESSAVG: 3332400 -58.9251 -7.39136 14.5889 -5.75644 19.6612 -11.0355 18.2577 -10.0856 22.1854 TIMING: 3332400 CPU: 9922.99, 0.00303619/step Wall: 9922.99, 0.00303619/step, 1.40643 hours remaining, 206.542969 MB of memory in use. ENERGY: 3332400 724.5955 2101.6633 1908.3700 108.2208 -205471.5582 17476.8822 0.0000 0.0000 34084.9177 -149066.9087 297.6721 -183151.8263 -148970.6981 300.0739 -254.5379 -222.8730 559421.1833 -5.7553 -5.6929 PRESSURE: 3332600 -146.776 -43.7365 53.5741 -43.736 -264.769 42.1822 53.5738 42.1827 -123.848 GPRESSURE: 3332600 -128.157 60.3258 -2.10647 -0.614166 -230.954 89.5565 69.7598 55.0542 -85.6398 PRESSAVG: 3332600 -30.4424 -21.3916 -17.5442 -21.3915 -3.69815 28.8953 -17.5443 28.8954 45.6671 GPRESSAVG: 3332600 -29.1915 -19.7398 -16.5044 -22.6025 -4.91993 29.012 -19.4779 28.6165 45.7406 TIMING: 3332600 CPU: 9923.58, 0.00295391/step Wall: 9923.58, 0.00295391/step, 1.36815 hours remaining, 206.542969 MB of memory in use. ENERGY: 3332600 730.7000 2088.9299 1897.8013 102.7861 -205961.7556 17583.0109 0.0000 0.0000 34299.2366 -149259.2907 299.5438 -183558.5273 -149155.1507 299.1830 -178.4644 -148.2502 559192.8983 3.8422 3.8764 PRESSURE: 3332800 -69.127 -108.069 -49.8737 -108.071 -88.5043 -47.5287 -49.8739 -47.528 -116.487 GPRESSURE: 3332800 14.8339 -49.6821 -94.4195 -70.3789 -70.8419 -62.3212 13.5194 -76.0026 -133.583 PRESSAVG: 3332800 -82.9805 47.1208 -10.0767 47.1208 28.349 -15.1475 -10.0766 -15.1474 78.3913 GPRESSAVG: 3332800 -83.1578 47.1054 -9.41123 48.6679 28.6305 -14.6048 -10.6849 -15.2918 78.8426 TIMING: 3332800 CPU: 9924.17, 0.00294974/step Wall: 9924.17, 0.00294974/step, 1.36606 hours remaining, 206.542969 MB of memory in use. ENERGY: 3332800 749.5055 2090.2878 1924.5991 120.8098 -205915.9823 17716.6941 0.0000 0.0000 33933.9423 -149380.1436 296.3536 -183314.0860 -149279.9290 298.9120 -91.3727 -63.1971 557178.3566 7.9199 8.1051 PRESSURE: 3333000 -295.091 -112.766 113.338 -112.766 -40.1782 -11.583 113.339 -11.5819 97.1566 GPRESSURE: 3333000 -223.538 -159.579 117.67 -137.869 0.706364 -12.6211 114.622 12.4037 94.5274 PRESSAVG: 3333000 -1.31259 12.2133 40.7735 12.2133 3.98197 -0.998496 40.7735 -0.998482 -10.1224 GPRESSAVG: 3333000 -0.552516 12.0409 40.2005 10.8659 4.25748 -1.17651 41.6563 -0.73573 -10.6151 TIMING: 3333000 CPU: 9924.76, 0.00297217/step Wall: 9924.76, 0.00297217/step, 1.37628 hours remaining, 206.542969 MB of memory in use. ENERGY: 3333000 728.7358 2021.9615 1922.2257 112.9942 -206134.0692 17737.3414 0.0000 0.0000 34311.2595 -149299.5511 299.6488 -183610.8106 -149202.3779 298.6174 -79.3708 -42.7680 558487.7854 -2.4843 -2.3034 PRESSURE: 3333200 73.4391 58.3939 39.047 58.3927 -142.294 -119.509 39.0468 -119.51 61.4224 GPRESSURE: 3333200 133.88 -18.8597 97.6295 6.7982 -148.522 -208.642 52.6293 -34.9731 109.452 PRESSAVG: 3333200 21.6227 -11.5991 14.4763 -11.599 -15.6416 -34.5173 14.4762 -34.5172 -45.3026 GPRESSAVG: 3333200 20.929 -10.8407 14.8157 -11.1043 -15.923 -34.9188 12.9396 -33.3318 -44.9404 TIMING: 3333200 CPU: 9925.35, 0.00293273/step Wall: 9925.35, 0.00293273/step, 1.35785 hours remaining, 206.542969 MB of memory in use. ENERGY: 3333200 740.8750 2082.0363 1927.0130 114.3157 -205975.7039 17631.7078 0.0000 0.0000 34206.4546 -149273.3014 298.7335 -183479.7560 -149175.7804 299.1345 -2.4775 31.6034 555174.6722 -13.1071 -13.3115 PRESSURE: 3333400 -136.076 160.423 -114.49 160.423 -91.6739 -5.21806 -114.491 -5.21914 165.191 GPRESSURE: 3333400 -82.2554 112.893 -33.259 93.6579 -50.3069 38.244 -137.862 -137.949 156.409 PRESSAVG: 3333400 -51.1909 -2.14439 27.9783 -2.14425 3.75333 -34.945 27.9783 -34.945 52.7547 GPRESSAVG: 3333400 -50.8273 -3.80357 28.3524 -1.8163 3.29883 -34.1527 28.7792 -36.5501 52.5901 TIMING: 3333400 CPU: 9925.94, 0.00295073/step Wall: 9925.94, 0.00295073/step, 1.36603 hours remaining, 206.542969 MB of memory in use. ENERGY: 3333400 749.0274 2036.6480 1924.4022 113.0854 -206496.8355 18005.6535 0.0000 0.0000 34215.2005 -149452.8184 298.8099 -183668.0189 -149355.2306 298.4687 -20.8530 7.9488 557487.5061 1.7724 1.6872 PRESSURE: 3333600 -99.5895 -109.6 35.1644 -109.602 70.4323 -28.6255 35.1644 -28.6271 91.7017 GPRESSURE: 3333600 -65.3879 -36.9857 16.2261 -161.922 166.197 -1.48333 87.5381 -29.9302 48.0969 PRESSAVG: 3333600 -19.4437 10.6044 -13.1147 10.6044 4.85679 34.5729 -13.1146 34.5728 23.7436 GPRESSAVG: 3333600 -18.603 11.6142 -13.0792 9.7906 5.61749 33.1731 -15.2535 34.2757 22.4697 TIMING: 3333600 CPU: 9926.52, 0.00292985/step Wall: 9926.52, 0.00292985/step, 1.3562 hours remaining, 206.542969 MB of memory in use. ENERGY: 3333600 751.7113 2065.2340 1898.0228 121.0462 -206462.3657 18040.4596 0.0000 0.0000 34223.9084 -149361.9836 298.8859 -183585.8919 -149263.8205 299.0576 20.8482 49.6353 558104.0005 3.0522 3.1614 PRESSURE: 3333800 -157.889 254.658 -103.72 254.658 -192.002 79.694 -103.72 79.6941 12.6807 GPRESSURE: 3333800 -94.5603 251.534 -80.0906 236.334 -192.089 150.444 -138.356 103.192 36.3753 PRESSAVG: 3333800 -28.4008 -27.7557 39.2211 -27.7557 -52.5406 14.4926 39.221 14.4926 31.4936 GPRESSAVG: 3333800 -29.7006 -28.1145 37.62 -27.7503 -52.7457 16.5777 41.8743 12.4671 32.9412 TIMING: 3333800 CPU: 9927.12, 0.00295463/step Wall: 9927.12, 0.00295463/step, 1.3675 hours remaining, 206.542969 MB of memory in use. ENERGY: 3333800 726.0849 2062.1052 1933.7458 102.8548 -205646.6767 17541.6455 0.0000 0.0000 34154.3250 -149125.9155 298.2782 -183280.2405 -149026.7295 299.7423 -112.4035 -83.4246 557731.9481 -16.4826 -16.5017 PRESSURE: 3334000 185.711 -82.4561 7.91901 -82.4568 -11.928 33.3374 7.91813 33.335 135.531 GPRESSURE: 3334000 163.755 -144.256 21.0687 -52.365 114.407 18.4638 44.1966 1.10269 135.259 PRESSAVG: 3334000 -45.845 -4.09134 -20.9123 -4.09133 -10.0689 -5.47255 -20.9123 -5.47247 58.7673 GPRESSAVG: 3334000 -44.0572 -2.79864 -22.0794 -4.50387 -10.5976 -6.35954 -20.3013 -3.96192 57.734 TIMING: 3334000 CPU: 9927.71, 0.00296752/step Wall: 9927.71, 0.00296752/step, 1.3733 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3334000 759.4953 2023.0846 1951.3182 109.0514 -206096.4123 18001.2480 0.0000 0.0000 34078.4763 -149173.7386 297.6158 -183252.2149 -149075.1653 299.1639 103.1047 137.8069 555849.4829 0.9511 1.0264 PRESSURE: 3334200 -19.1276 21.3372 85.4678 21.3375 25.0706 -18.9082 85.4673 -18.9067 -242.263 GPRESSURE: 3334200 -17.0298 91.7787 97.3544 39.9452 112.382 27.1715 8.51152 2.18736 -229.871 PRESSAVG: 3334200 -19.3658 0.170517 14.9271 0.170354 37.6095 17.3385 14.9272 17.3386 5.12048 GPRESSAVG: 3334200 -20.3493 -2.74776 15.7553 2.04744 38.4086 18.0955 14.3752 17.1665 5.34879 TIMING: 3334200 CPU: 9928.3, 0.00293361/step Wall: 9928.3, 0.00293361/step, 1.35745 hours remaining, 206.542969 MB of memory in use. ENERGY: 3334200 780.0518 2063.7352 1910.7161 102.4958 -206055.4214 17736.2681 0.0000 0.0000 34320.9659 -149141.1886 299.7335 -183462.1544 -149048.2048 299.0416 -78.7732 -44.8398 556605.1042 7.7881 7.8027 PRESSURE: 3334400 -176.854 -133.266 -25.063 -133.267 -64.8398 -47.1798 -25.0625 -47.1805 97.5312 GPRESSURE: 3334400 -125.866 -75.001 25.6413 -203.285 -56.9972 -44.6813 -48.8788 -36.9717 131.366 PRESSAVG: 3334400 -6.30067 24.7254 -41.0252 24.7254 -15.0165 22.4854 -41.0252 22.4855 -3.71159 GPRESSAVG: 3334400 -6.58649 28.3611 -39.9272 23.2073 -16.0422 22.0987 -42.0383 23.1446 -2.50532 TIMING: 3334400 CPU: 9928.88, 0.002937/step Wall: 9928.88, 0.002937/step, 1.35885 hours remaining, 206.542969 MB of memory in use. ENERGY: 3334400 760.4081 1981.6931 1929.4775 116.4474 -205867.9007 17740.3648 0.0000 0.0000 34267.7245 -149071.7853 299.2686 -183339.5098 -148964.8488 299.6160 -48.0542 -17.1655 556841.0502 -8.3429 -8.3780 PRESSURE: 3334600 118.443 83.5162 -6.01413 83.5162 27.8899 29.0524 -6.01383 29.0528 -57.4937 GPRESSURE: 3334600 141.595 109.543 68.7803 -1.43226 59.3155 90.1173 -8.9263 -76.8742 -11.9826 PRESSAVG: 3334600 37.0874 38.4757 -1.90367 38.4757 43.8883 -26.4683 -1.90369 -26.4683 -19.7821 GPRESSAVG: 3334600 37.2732 36.5222 -3.30398 38.2752 44.3993 -26.4363 -2.15336 -26.7351 -20.6093 TIMING: 3334600 CPU: 9929.47, 0.00295391/step Wall: 9929.47, 0.00295391/step, 1.36651 hours remaining, 206.542969 MB of memory in use. ENERGY: 3334600 736.5943 2021.0297 1944.2149 112.2302 -206143.1988 17849.1462 0.0000 0.0000 34408.4240 -149071.5596 300.4973 -183479.9836 -148972.7783 299.3549 29.6132 62.9761 558045.8525 20.3979 20.3544 PRESSURE: 3334800 185.265 80.4265 -219.717 80.4268 -73.9984 15.5779 -219.717 15.576 -183.521 GPRESSURE: 3334800 219.146 -41.9782 -217.812 122.641 -57.5524 22.0035 -191.684 42.9185 -138.448 PRESSAVG: 3334800 18.8635 15.8063 -46.2391 15.8064 6.11978 50.7739 -46.2391 50.7738 -13.5649 GPRESSAVG: 3334800 18.382 14.7811 -46.8734 16.5327 7.1907 51.2292 -44.9435 50.8752 -13.5776 TIMING: 3334800 CPU: 9930.06, 0.00294349/step Wall: 9930.06, 0.00294349/step, 1.36153 hours remaining, 206.542969 MB of memory in use. ENERGY: 3334800 720.1131 2057.1410 1940.4747 126.9937 -205936.1525 17740.4267 0.0000 0.0000 34183.8820 -149167.1213 298.5363 -183351.0034 -149070.3713 298.9548 -24.0849 7.7150 558115.2034 3.8061 3.9984 PRESSURE: 3335000 -63.751 -57.3372 27.4316 -57.3375 -111.511 106.747 27.4304 106.746 1.86064 GPRESSURE: 3335000 23.9733 -88.8243 130.945 -2.42786 -89.5905 149.627 31.4381 77.1731 -7.53919 PRESSAVG: 3335000 -20.78 -24.9347 -11.6808 -24.9347 -13.043 5.65446 -11.6808 5.65445 73.7353 GPRESSAVG: 3335000 -21.3852 -25.4202 -9.71739 -25.0217 -12.2832 4.54129 -11.8189 4.03514 74.0262 TIMING: 3335000 CPU: 9930.65, 0.00293252/step Wall: 9930.65, 0.00293252/step, 1.35629 hours remaining, 206.542969 MB of memory in use. ENERGY: 3335000 757.8659 2090.0129 1933.3310 106.3368 -206213.7220 17901.7953 0.0000 0.0000 34315.1591 -149109.2208 299.6828 -183424.3799 -149020.1997 299.5734 -57.8005 -24.3855 558277.5381 13.3041 13.4526 PRESSURE: 3335200 52.5101 -46.4496 40.4224 -46.4493 386.599 -35.6244 40.4225 -35.6242 151.421 GPRESSURE: 3335200 31.6387 -67.9251 69.4815 -48.1197 458.501 -82.1017 39.6467 61.9733 191.316 PRESSAVG: 3335200 -23.2008 -40.4743 56.6868 -40.4744 93.4321 -39.7532 56.6868 -39.7534 -35.0454 GPRESSAVG: 3335200 -22.0596 -40.0112 55.1796 -39.7309 91.9203 -40.8239 56.4481 -36.8248 -34.6013 TIMING: 3335200 CPU: 9931.24, 0.00293589/step Wall: 9931.24, 0.00293589/step, 1.35769 hours remaining, 206.542969 MB of memory in use. ENERGY: 3335200 748.2433 2131.9433 1907.5109 117.3838 -206736.0552 18326.0808 0.0000 0.0000 34425.3635 -149079.5296 300.6453 -183504.8931 -148983.0558 300.0528 196.8433 227.1516 557101.2657 11.7286 11.7531 PRESSURE: 3335400 51.3249 45.7739 44.2677 45.7747 56.1065 -125.878 44.2677 -125.879 -28.6562 GPRESSURE: 3335400 56.9507 114.579 45.5392 -27.1407 139.016 -114.849 -1.20564 -102.713 -19.7235 PRESSAVG: 3335400 9.55882 -20.7414 -58.8696 -20.7414 5.96182 -29.1392 -58.8696 -29.1392 -32.4716 GPRESSAVG: 3335400 8.51533 -20.0429 -54.9659 -21.4512 7.41103 -27.5271 -60.2048 -31.5 -32.6623 TIMING: 3335400 CPU: 9931.82, 0.00292037/step Wall: 9931.82, 0.00292037/step, 1.35035 hours remaining, 206.542969 MB of memory in use. ENERGY: 3335400 714.5812 2074.9976 1931.7437 117.1905 -205755.5307 17774.1429 0.0000 0.0000 34294.9118 -148847.9628 299.5060 -183142.8747 -148754.4006 300.0799 26.2584 58.7478 557936.3517 -5.6503 -5.5787 PRESSURE: 3335600 -154.61 -128.466 7.49302 -128.465 -92.0477 -98.8334 7.49302 -98.8335 11.9866 GPRESSURE: 3335600 -142.603 -101.277 66.0161 -138.49 -70.5839 -59.8262 -17.1397 -90.4987 71.7539 PRESSAVG: 3335600 -49.6432 14.4761 42.1786 14.4762 60.7719 -62.5073 42.1786 -62.5073 30.2245 GPRESSAVG: 3335600 -49.2476 12.9911 41.5252 16.7298 59.0868 -60.6371 42.3996 -63.8779 32.2049 TIMING: 3335600 CPU: 9932.4, 0.00292511/step Wall: 9932.4, 0.00292511/step, 1.35238 hours remaining, 206.542969 MB of memory in use. ENERGY: 3335600 743.6695 2077.9269 1954.6253 114.0652 -205751.5487 17586.1893 0.0000 0.0000 34569.2281 -148705.8444 301.9017 -183275.0725 -148610.6266 300.6226 -78.2238 -47.1444 558315.4380 13.7844 14.0147 PRESSURE: 3335800 1.36775 -200.44 -24.4656 -200.44 -123.928 -24.6431 -24.4644 -24.6428 -125.323 GPRESSURE: 3335800 54.986 -293.047 48.9131 -225.155 -124.468 -67.1724 -99.9103 -6.01554 -83.6085 PRESSAVG: 3335800 -15.7194 -53.4643 -35.5491 -53.4644 -34.8531 -81.5384 -35.5491 -81.5384 47.1172 GPRESSAVG: 3335800 -15.4572 -51.5895 -37.2719 -55.8446 -33.2151 -83.9335 -35.9909 -79.2986 45.0626 TIMING: 3335800 CPU: 9932.99, 0.00293728/step Wall: 9932.99, 0.00293728/step, 1.35784 hours remaining, 206.582031 MB of memory in use. ENERGY: 3335800 746.2384 2044.9371 1955.2116 116.2270 -205721.1152 17621.4330 0.0000 0.0000 34509.7181 -148727.3499 301.3820 -183237.0681 -148628.9305 300.5606 -82.6278 -51.0301 557532.0559 -1.1518 -1.2033 PRESSURE: 3336000 239.574 -47.1369 44.9552 -47.1367 64.6572 -82.2791 44.9534 -82.2787 92.0272 GPRESSURE: 3336000 254.967 -136.284 82.7757 19.8674 112.16 -162.049 20.5885 -55.7042 136.224 PRESSAVG: 3336000 36.5831 -82.3443 -7.37372 -82.3442 -39.6693 -40.7699 -7.37378 -40.7699 -22.5788 GPRESSAVG: 3336000 38.5776 -81.596 -6.52436 -82.1039 -41.2989 -40.1606 -7.30355 -40.2411 -22.6588 TIMING: 3336000 CPU: 9933.58, 0.00293435/step Wall: 9933.58, 0.00293435/step, 1.35632 hours remaining, 206.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3336000 715.2294 2113.7467 1944.6557 117.6990 -206509.4804 18020.3424 0.0000 0.0000 34513.2093 -149084.5979 301.4124 -183597.8072 -148996.2767 299.6978 132.0862 167.7838 556540.6337 -8.5550 -8.4600 PRESSURE: 3336200 -64.8143 -77.4382 -33.6593 -77.4406 -55.0713 28.0696 -33.6581 28.0718 -318.843 GPRESSURE: 3336200 -77.7676 -145.612 -113.609 -89.0032 28.3937 54.2651 -38.9241 25.5818 -280.681 PRESSAVG: 3336200 75.2319 -80.5632 19.6423 -80.5633 -20.5883 18.2773 19.6423 18.2773 -16.3609 GPRESSAVG: 3336200 74.2999 -80.5658 16.4986 -79.7072 -19.8427 17.9399 22.1203 17.9747 -15.0894 TIMING: 3336200 CPU: 9934.18, 0.00298676/step Wall: 9934.18, 0.00298676/step, 1.38038 hours remaining, 206.582031 MB of memory in use. ENERGY: 3336200 738.5941 2050.0332 1931.0425 111.8626 -206070.5646 17594.7261 0.0000 0.0000 34359.4069 -149284.8991 300.0692 -183644.3060 -149183.9816 299.8896 -146.2427 -110.0182 556931.2598 12.7609 13.1226 LDB: ============= START OF LOAD BALANCING ============== 9937.72 LDB: ============== END OF LOAD BALANCING =============== 9937.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9937.73 LDB: ============= START OF LOAD BALANCING ============== 9938.02 LDB: Largest compute 4772 load 0.026245 is 22.2% of average load 0.118264 LDB: Average compute 0.001729 is 1.5% of average load 0.118264 LDB: TIME 9938.02 LOAD: AVG 0.118264 MAX 0.196738 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.793 MB LDB: TIME 9938.02 LOAD: AVG 0.118264 MAX 0.196738 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.891 MB LDB: TIME 9938.02 LOAD: AVG 0.118264 MAX 0.196738 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.891 MB LDB: ============== END OF LOAD BALANCING =============== 9938.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9938.03 PRESSURE: 3336400 -282.559 -15.5822 -16.4746 -15.5821 -17.69 75.3281 -16.4743 75.3301 -159.043 GPRESSURE: 3336400 -283.381 -28.6288 -33.1013 -37.9977 33.3706 136.869 12.2046 49.1214 -115.682 PRESSAVG: 3336400 50.5031 -47.1948 -30.4654 -47.1947 53.0013 15.7855 -30.4654 15.7855 -79.1718 GPRESSAVG: 3336400 50.1642 -46.9232 -27.0507 -49.453 52.8842 16.2236 -31.2955 16.4644 -78.7052 TIMING: 3336400 CPU: 9934.78, 0.00300031/step Wall: 9934.78, 0.00300031/step, 1.38648 hours remaining, 206.742188 MB of memory in use. ENERGY: 3336400 776.0045 2106.1369 1949.0661 102.1979 -206220.0938 17686.4922 0.0000 0.0000 34345.3642 -149254.8319 299.9466 -183600.1961 -149159.4404 299.4327 -153.0972 -121.8974 556416.3025 8.1109 8.1144 PRESSURE: 3336600 239.923 108.242 101.088 108.243 116.739 99.8769 101.088 99.8763 6.45931 GPRESSURE: 3336600 259.799 188.371 127.418 87.1124 156.641 15.3842 90.0261 143.909 41.6072 PRESSAVG: 3336600 34.6511 -17.3406 23.5346 -17.3407 -35.6816 40.944 23.5346 40.944 -41.8394 GPRESSAVG: 3336600 34.3598 -17.6369 22.9434 -16.5404 -35.1086 41.0648 22.8575 41.3231 -41.8082 TIMING: 3336600 CPU: 9935.36, 0.00292977/step Wall: 9935.36, 0.00292977/step, 1.35372 hours remaining, 206.742188 MB of memory in use. ENERGY: 3336600 742.0914 2110.8428 1938.7214 124.9907 -206349.6804 18024.9670 0.0000 0.0000 34368.1265 -149039.9406 300.1454 -183408.0671 -148942.7299 299.5645 121.0404 152.6826 556399.5306 -14.2900 -14.1857 PRESSURE: 3336800 -101.13 90.1107 19.653 90.1112 3.33592 54.19 19.651 54.1894 -160.217 GPRESSURE: 3336800 -111.226 52.6644 -9.2901 71.9657 51.8749 57.6156 -12.3783 -0.346492 -115.418 PRESSAVG: 3336800 62.4339 -51.9629 -32.1798 -51.9629 -12.1934 20.3871 -32.1798 20.3871 20.893 GPRESSAVG: 3336800 62.2181 -53.801 -31.9459 -48.4537 -11.5416 19.5482 -30.1875 19.2051 19.6992 TIMING: 3336800 CPU: 9935.95, 0.00295335/step Wall: 9935.95, 0.00295335/step, 1.36445 hours remaining, 206.742188 MB of memory in use. ENERGY: 3336800 751.8181 2068.8417 1942.1378 134.1003 -205774.7541 17520.2898 0.0000 0.0000 34222.3462 -149135.2203 298.8723 -183357.5665 -149039.4945 299.0910 -86.0038 -58.2564 557337.0185 23.7112 23.4586 PRESSURE: 3337000 58.8359 127.149 65.8443 127.148 -48.4056 123.843 65.8453 123.844 -144.911 GPRESSURE: 3337000 43.5973 108.596 61.3314 146.542 -8.05253 156.019 154.094 116.282 -77.2109 PRESSAVG: 3337000 53.4725 33.7437 30.2121 33.7436 17.4062 44.2794 30.2121 44.2795 -52.8973 GPRESSAVG: 3337000 54.6776 34.66 33.0112 30.1805 15.9562 44.31 27.6392 45.2272 -52.468 TIMING: 3337000 CPU: 9936.54, 0.00295051/step Wall: 9936.54, 0.00295051/step, 1.36297 hours remaining, 206.742188 MB of memory in use. ENERGY: 3337000 743.4168 2120.2681 1947.0792 110.4099 -206086.8335 17679.1743 0.0000 0.0000 34164.3741 -149322.1111 298.3660 -183486.4852 -149224.2551 298.7933 -44.8269 -13.8887 557169.8309 5.9938 6.0553 PRESSURE: 3337200 36.8866 42.2694 35.3299 42.2695 -65.9965 73.5405 35.3302 73.5391 -108.707 GPRESSURE: 3337200 115.762 47.4132 115.164 -53.1043 -68.2044 78.3565 94.862 42.8451 -90.9319 PRESSAVG: 3337200 -24.6902 20.1027 -8.88852 20.1028 74.6097 28.6201 -8.88855 28.6201 -13.4311 GPRESSAVG: 3337200 -24.2916 20.3928 -15.2593 21.6199 75.0528 29.9156 -6.56226 27.5495 -14.642 TIMING: 3337200 CPU: 9937.14, 0.00296566/step Wall: 9937.14, 0.00296566/step, 1.36981 hours remaining, 206.742188 MB of memory in use. ENERGY: 3337200 762.3713 2051.2071 1946.5605 113.9740 -205961.6781 17671.7253 0.0000 0.0000 34231.2786 -149184.5613 298.9503 -183415.8399 -149086.8725 299.1881 -45.9391 -14.4582 557844.9100 12.1628 12.0397 PRESSURE: 3337400 -22.6229 -66.4115 44.1404 -66.4126 155.936 62.691 44.1398 62.6912 101.34 GPRESSURE: 3337400 -21.3293 -141.933 33.9739 -41.2769 241.567 61.3639 95.8571 90.2997 119.431 PRESSAVG: 3337400 -6.46093 3.97828 -15.5846 3.97826 52.4791 3.93045 -15.5846 3.93047 -32.1003 GPRESSAVG: 3337400 -6.02074 3.4357 -11.9035 3.60904 51.8588 2.32428 -15.9479 4.78571 -31.8734 TIMING: 3337400 CPU: 9937.72, 0.00293737/step Wall: 9937.72, 0.00293737/step, 1.35658 hours remaining, 206.742188 MB of memory in use. ENERGY: 3337400 737.5821 2033.8636 1939.2107 123.7235 -206359.5146 17956.0213 0.0000 0.0000 34286.3866 -149282.7268 299.4315 -183569.1134 -149186.2156 298.7904 78.2179 113.2229 557706.2757 4.6393 4.6549 PRESSURE: 3337600 -214.182 -128.026 -39.6282 -128.027 180.585 34.0906 -39.6283 34.0921 82.4819 GPRESSURE: 3337600 -129.584 -47.947 12.276 -144.833 140.001 86.4327 -78.5627 -15.3155 126.119 PRESSAVG: 3337600 -41.4557 -45.1714 -14.9185 -45.1714 9.09953 20.4299 -14.9185 20.4299 -15.0941 GPRESSAVG: 3337600 -42.568 -45.2329 -16.7666 -44.4306 9.15915 22.1769 -14.2816 20.0607 -14.071 TIMING: 3337600 CPU: 9938.31, 0.00293605/step Wall: 9938.31, 0.00293606/step, 1.35581 hours remaining, 206.742188 MB of memory in use. ENERGY: 3337600 711.6579 2097.1704 1965.4802 111.6334 -206119.2486 18011.4066 0.0000 0.0000 34019.9978 -149201.9023 297.1051 -183221.9001 -149108.3076 299.2168 16.2947 45.5118 559999.8937 -15.8168 -15.8266 PRESSURE: 3337800 -194.843 41.2014 -77.1343 41.2012 321.285 -23.7901 -77.1346 -23.7899 71.1619 GPRESSURE: 3337800 -131.322 90.6564 -82.546 20.8949 338.664 109.692 -72.4991 -56.6019 81.9913 PRESSAVG: 3337800 -10.3018 35.6362 -40.3158 35.6362 72.0937 41.2408 -40.3158 41.241 -11.8373 GPRESSAVG: 3337800 -9.86618 36.331 -39.6804 35.5354 73.3572 42.638 -40.6235 41.2871 -12.3147 TIMING: 3337800 CPU: 9938.9, 0.00293135/step Wall: 9938.9, 0.00293135/step, 1.35347 hours remaining, 206.742188 MB of memory in use. ENERGY: 3337800 739.0558 2097.6677 1949.0567 107.5218 -206492.3837 18173.9499 0.0000 0.0000 34163.1186 -149262.0132 298.3550 -183425.1318 -149171.1775 299.4723 65.8679 96.4445 559565.0081 16.6515 17.0588 PRESSURE: 3338000 8.12367 107.234 93.9544 107.234 -44.4686 -89.098 93.9545 -89.0991 -145.522 GPRESSURE: 3338000 44.4034 166.252 21.799 88.9118 -13.4848 -107.087 122.321 -17.5535 -114.055 PRESSAVG: 3338000 -21.0483 32.1301 -1.58444 32.13 29.7502 31.065 -1.58445 31.0649 8.80588 GPRESSAVG: 3338000 -21.4343 32.0549 -3.75283 32.7286 29.4707 28.8234 -1.41086 32.2819 9.16728 TIMING: 3338000 CPU: 9939.48, 0.00292862/step Wall: 9939.48, 0.00292862/step, 1.35205 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3338000 766.9713 2055.8512 1914.7538 124.6648 -206255.8299 17994.6254 0.0000 0.0000 34255.1048 -149143.8586 299.1583 -183398.9634 -149049.7097 298.9886 -60.6224 -27.7121 558807.6953 5.8359 5.7346 PRESSURE: 3338200 81.934 -113.4 56.7294 -113.4 2.24222 169.544 56.7302 169.541 -50.9608 GPRESSURE: 3338200 101.941 -124.885 4.37115 -154.588 7.36204 158.948 137.242 162.007 7.99017 PRESSAVG: 3338200 19.0879 50.2165 12.0539 50.2165 32.7472 43.6107 12.0538 43.6105 -19.9561 GPRESSAVG: 3338200 19.8836 48.4142 16.2031 50.1422 33.1851 43.3903 10.0998 41.0046 -20.8343 TIMING: 3338200 CPU: 9940.07, 0.00294604/step Wall: 9940.07, 0.00294604/step, 1.35993 hours remaining, 206.742188 MB of memory in use. ENERGY: 3338200 758.2062 2119.8211 1939.4021 127.7957 -206284.3385 17872.4249 0.0000 0.0000 34133.5713 -149333.1172 298.0970 -183466.6885 -149234.9889 298.6850 11.0718 39.0979 557986.3845 10.6263 10.7448 PRESSURE: 3338400 179.367 28.9316 110.159 28.9324 -120.329 102.723 110.159 102.723 92.0702 GPRESSURE: 3338400 221.006 -64.4999 51.8723 -3.64664 -18.9413 -6.76503 140.275 124.181 33.7131 PRESSAVG: 3338400 113.124 35.3213 70.7827 35.3213 -8.40943 14.628 70.7828 14.6281 -92.7276 GPRESSAVG: 3338400 112.254 35.8782 69.5104 33.7653 -8.83322 15.6659 70.9044 15.0464 -91.0241 TIMING: 3338400 CPU: 9940.66, 0.00291912/step Wall: 9940.66, 0.00291912/step, 1.34733 hours remaining, 206.742188 MB of memory in use. ENERGY: 3338400 750.4661 2064.0065 1931.8869 134.4712 -206155.1419 17758.1322 0.0000 0.0000 34204.5023 -149311.6768 298.7164 -183516.1791 -149214.8154 298.3201 50.3695 78.5924 556708.4132 3.9957 4.1321 PRESSURE: 3338600 31.9343 -92.5362 105.641 -92.5369 123.47 15.6198 105.641 15.6208 -7.18174 GPRESSURE: 3338600 65.24 -11.3152 123.108 -138.293 120.235 45.1311 66.8897 -15.035 51.0187 PRESSAVG: 3338600 22.433 -8.88166 -6.86346 -8.88152 11.9962 28.0029 -6.86343 28.0028 1.20491 GPRESSAVG: 3338600 22.5998 -7.97612 -4.90612 -8.47269 12.6548 27.1122 -7.68409 29.1928 0.664941 TIMING: 3338600 CPU: 9941.25, 0.00294935/step Wall: 9941.25, 0.00294935/step, 1.36112 hours remaining, 206.742188 MB of memory in use. ENERGY: 3338600 724.2227 2103.6547 1935.8012 115.2819 -206221.3345 17868.8143 0.0000 0.0000 34243.1616 -149230.3981 299.0540 -183473.5596 -149133.8797 298.6194 49.4074 78.8312 557170.5049 11.8780 11.9732 PRESSURE: 3338800 -22.9841 -54.2663 101.223 -54.2663 -57.6034 -191.235 101.222 -191.233 130.341 GPRESSURE: 3338800 29.1708 -27.3138 51.0242 -89.8959 -18.0469 -191.966 156.61 -253.08 127.318 PRESSAVG: 3338800 36.6662 -29.7406 -0.0154935 -29.7406 -22.2712 4.74329 -0.0154648 4.74331 12.4513 GPRESSAVG: 3338800 37.5321 -31.1263 -3.47827 -28.6321 -22.9601 6.27221 1.96419 4.21692 11.9739 TIMING: 3338800 CPU: 9941.84, 0.00295617/step Wall: 9941.84, 0.00295617/step, 1.36411 hours remaining, 206.742188 MB of memory in use. ENERGY: 3338800 709.5131 2110.5182 1945.8262 120.4234 -206291.1559 17788.5208 0.0000 0.0000 34197.8074 -149418.5468 298.6580 -183616.3542 -149319.2107 298.8925 16.5847 46.1473 556721.0330 8.9488 8.8486 PRESSURE: 3339000 262.162 96.8911 -106.994 96.8909 107.982 96.3223 -106.994 96.3228 47.6747 GPRESSURE: 3339000 320.988 137.398 -101.533 119.711 170.313 49.2569 -57.9657 90.8321 22.6957 PRESSAVG: 3339000 -45.051 -10.2191 -28.5307 -10.2191 -61.0734 -40.4546 -28.5306 -40.4546 34.0243 GPRESSAVG: 3339000 -45.4475 -9.69585 -29.4773 -9.93437 -59.5102 -43.5835 -26.8672 -40.5327 33.6467 TIMING: 3339000 CPU: 9942.43, 0.00294055/step Wall: 9942.43, 0.00294055/step, 1.35674 hours remaining, 206.742188 MB of memory in use. ENERGY: 3339000 720.0590 2085.3234 1950.3336 124.2375 -206525.0188 18067.8653 0.0000 0.0000 34185.4165 -149391.7835 298.5497 -183577.2000 -149296.4847 298.5089 139.2728 171.3323 557799.9118 -24.0334 -23.7703 PRESSURE: 3339200 -37.7015 -28.5104 -158.6 -28.5105 -347.641 -8.46939 -158.6 -8.47137 -110.193 GPRESSURE: 3339200 -18.3636 -66.7706 -117.323 -110.288 -262.952 -75.3895 -205.704 -3.95441 -126.705 PRESSAVG: 3339200 35.2329 -23.8646 5.38155 -23.8646 -13.0636 24.5462 5.38155 24.5462 15.6293 GPRESSAVG: 3339200 35.0732 -23.1195 6.14721 -25.0156 -14.0451 24.789 2.58 24.8687 16.8135 TIMING: 3339200 CPU: 9943.01, 0.00293982/step Wall: 9943.01, 0.00293982/step, 1.35624 hours remaining, 206.742188 MB of memory in use. ENERGY: 3339200 724.5972 2069.7929 1966.1817 116.5300 -206147.5914 17601.8855 0.0000 0.0000 34179.8618 -149488.7423 298.5012 -183668.6041 -149395.8097 298.9402 -165.1786 -136.0067 558209.2522 12.5995 12.6138 PRESSURE: 3339400 -191.302 -101.539 31.443 -101.539 -34.5231 72.0772 31.4427 72.0775 -145.768 GPRESSURE: 3339400 -120.22 -84.9079 -26.2207 -136.845 -24.0976 71.5226 31.5332 16.0312 -101.796 PRESSAVG: 3339400 -85.0961 -66.0327 21.1986 -66.0327 25.2924 63.1846 21.1985 63.1847 36.8832 GPRESSAVG: 3339400 -83.6555 -65.0937 20.013 -67.0207 24.9296 63.3087 23.6005 62.891 35.564 TIMING: 3339400 CPU: 9943.6, 0.00292898/step Wall: 9943.6, 0.00292898/step, 1.35107 hours remaining, 206.742188 MB of memory in use. ENERGY: 3339400 761.1262 2105.8625 1953.0682 100.0951 -205846.5213 17524.5237 0.0000 0.0000 34006.5707 -149395.2748 296.9878 -183401.8455 -149306.0425 299.0259 -123.8646 -82.0378 556805.6827 -7.6402 -7.7206 PRESSURE: 3339600 -65.652 90.7884 8.80047 90.7893 78.0232 -58.609 8.80029 -58.6077 -196.235 GPRESSURE: 3339600 -77.6881 74.092 -61.1407 2.42455 145.717 -75.7704 84.7083 -70.5582 -157.493 PRESSAVG: 3339600 -57.974 -5.53419 4.45243 -5.53421 51.5187 -6.9738 4.45242 -6.97378 2.66363 GPRESSAVG: 3339600 -59.2563 -6.07497 5.01725 -4.26608 50.982 -7.1145 3.64964 -5.69373 4.60569 TIMING: 3339600 CPU: 9944.19, 0.00293849/step Wall: 9944.19, 0.00293849/step, 1.3553 hours remaining, 206.742188 MB of memory in use. ENERGY: 3339600 746.4343 2121.0173 1963.7801 120.9131 -206234.3072 17791.5210 0.0000 0.0000 33952.5921 -149538.0493 296.5164 -183490.6413 -149440.8013 298.9757 -61.2878 -29.8212 556495.1544 -1.2639 -1.2229 PRESSURE: 3339800 -243.915 8.31012 36.6797 8.31188 19.9822 -84.3122 36.6814 -84.3134 -155.21 GPRESSURE: 3339800 -209.627 -27.598 29.728 26.3323 85.6315 -166.683 -18.768 -94.2907 -165.324 PRESSAVG: 3339800 -45.636 -54.8905 43.2477 -54.8904 50.7723 -18.1787 43.2478 -18.1787 -7.66076 GPRESSAVG: 3339800 -45.0644 -55.3247 42.9227 -54.2066 52.5927 -15.116 43.4597 -20.4178 -10.2358 TIMING: 3339800 CPU: 9944.77, 0.0029349/step Wall: 9944.77, 0.0029349/step, 1.35348 hours remaining, 206.742188 MB of memory in use. ENERGY: 3339800 725.5798 2065.0818 1946.3509 98.9923 -205940.9046 17575.7013 0.0000 0.0000 34147.4867 -149381.7119 298.2185 -183529.1987 -149278.9589 298.5285 -126.3811 -96.4398 557204.6832 -0.8415 -0.9025 PRESSURE: 3340000 21.7756 147.383 -144.543 147.382 -127.019 101.784 -144.544 101.784 -116.708 GPRESSURE: 3340000 69.9745 85.3857 -50.9705 77.619 -120.609 103.906 -112.829 24.7991 -77.7894 PRESSAVG: 3340000 -21.6391 78.3998 44.727 78.3996 10.7968 56.8577 44.727 56.8577 23.6803 GPRESSAVG: 3340000 -21.8968 78.8162 45.4452 76.0037 8.27862 54.6605 44.9899 57.2142 25.638 TIMING: 3340000 CPU: 9945.36, 0.00295506/step Wall: 9945.36, 0.00295506/step, 1.36261 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3340000 732.0559 2108.5934 1936.3641 112.5321 -206239.3460 17746.9215 0.0000 0.0000 34133.7086 -149469.1704 298.0982 -183602.8791 -149368.5179 298.9041 -73.9839 -42.8079 557778.7028 4.2793 4.0066 PRESSURE: 3340200 7.67755 -58.7957 15.4968 -58.7973 28.6197 90.7738 15.4961 90.7726 -309.78 GPRESSURE: 3340200 14.055 -91.3492 37.8733 -45.948 118.25 21.2029 37.2638 106.104 -299.404 PRESSAVG: 3340200 -30.0092 9.52697 40.1261 9.52692 57.0956 27.4417 40.1261 27.4418 -24.9991 GPRESSAVG: 3340200 -30.0605 8.11811 39.7203 10.5196 57.0542 28.0584 38.6787 28.7927 -25.2213 TIMING: 3340200 CPU: 9945.96, 0.00297785/step Wall: 9945.96, 0.00297785/step, 1.37295 hours remaining, 206.742188 MB of memory in use. ENERGY: 3340200 751.2246 2068.2413 1942.6249 111.7070 -206314.9856 17558.5648 0.0000 0.0000 34143.1884 -149739.4345 298.1810 -183882.6229 -149636.1716 298.2165 -91.1608 -55.6995 556995.2956 0.6958 0.5908 LDB: ============= START OF LOAD BALANCING ============== 9949.51 LDB: ============== END OF LOAD BALANCING =============== 9949.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9949.51 LDB: ============= START OF LOAD BALANCING ============== 9949.81 LDB: Largest compute 4772 load 0.026777 is 22.6% of average load 0.118226 LDB: Average compute 0.001723 is 1.5% of average load 0.118226 LDB: TIME 9949.81 LOAD: AVG 0.118226 MAX 0.194343 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 9949.81 LOAD: AVG 0.118226 MAX 0.194343 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: TIME 9949.81 LOAD: AVG 0.118226 MAX 0.194343 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9949.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9949.81 PRESSURE: 3340400 72.0123 -89.0346 19.9737 -89.0346 69.5604 63.3725 19.9747 63.3717 -59.8024 GPRESSURE: 3340400 115.494 -101.993 2.44166 -62.1527 141.73 83.7163 34.589 51.1619 -95.3378 PRESSAVG: 3340400 -38.7885 -28.3466 24.6425 -28.3466 60.5236 30.6002 24.6425 30.6002 -5.7003 GPRESSAVG: 3340400 -38.3001 -25.9422 26.1668 -28.1927 61.1327 30.4554 23.0814 30.8066 -7.24521 TIMING: 3340400 CPU: 9946.56, 0.00301885/step Wall: 9946.56, 0.00301885/step, 1.39169 hours remaining, 206.742188 MB of memory in use. ENERGY: 3340400 728.7108 2144.5869 1939.6506 130.6337 -206766.7516 18104.6854 0.0000 0.0000 34240.3391 -149478.1450 299.0294 -183718.4841 -149389.4522 297.7529 27.2568 53.9622 556853.1796 5.3449 5.1958 PRESSURE: 3340600 -23.0893 50.0952 159.211 50.0953 17.0012 75.1378 159.21 75.1388 -134.091 GPRESSURE: 3340600 -26.2501 -27.3795 121.279 49.8946 87.3153 67.356 186.312 50.7095 -125.918 PRESSAVG: 3340600 45.8505 7.73027 35.149 7.7303 -22.9673 37.7713 35.1489 37.7713 -14.6813 GPRESSAVG: 3340600 45.5934 7.17915 32.8889 6.92367 -23.6795 38.4768 36.6512 37.7692 -13.558 TIMING: 3340600 CPU: 9947.16, 0.00295758/step Wall: 9947.16, 0.00295758/step, 1.36328 hours remaining, 206.941406 MB of memory in use. ENERGY: 3340600 718.7667 2108.3081 1950.0203 123.1642 -206335.2063 17749.2468 0.0000 0.0000 34270.2368 -149415.4633 299.2905 -183685.7001 -149320.8723 298.4137 -46.7262 -21.6177 557307.4753 2.7339 2.7853 PRESSURE: 3340800 379.494 -4.17502 -32.8356 -4.17472 22.0005 -16.8787 -32.8357 -16.8781 240.971 GPRESSURE: 3340800 358.091 55.9469 -2.58393 -41.7764 114.812 -40.9646 -16.733 22.8617 289.225 PRESSAVG: 3340800 20.6715 -33.7284 9.53806 -33.7284 8.76289 10.8449 9.53807 10.8449 -32.7257 GPRESSAVG: 3340800 21.326 -34.8878 12.9453 -31.968 8.8443 11.0492 9.68115 10.1859 -33.0998 TIMING: 3340800 CPU: 9947.75, 0.00294761/step Wall: 9947.75, 0.00294761/step, 1.35852 hours remaining, 206.941406 MB of memory in use. ENERGY: 3340800 737.9419 2050.7064 1947.5654 107.0789 -206848.9053 18235.0627 0.0000 0.0000 34160.6114 -149609.9386 298.3331 -183770.5500 -149522.3239 297.9775 214.1553 254.0430 557118.5261 -1.0971 -0.9765 PRESSURE: 3341000 -419.914 26.0042 -145.739 26.0045 -198.011 90.3091 -145.739 90.3094 -263.729 GPRESSURE: 3341000 -427.524 9.72017 -91.516 43.7582 -178.305 154.234 -75.2707 93.7338 -164.81 PRESSAVG: 3341000 -41.2222 -21.0965 13.4414 -21.0965 -41.9735 33.1622 13.4414 33.1621 52.8765 GPRESSAVG: 3341000 -42.1666 -19.7562 13.1924 -22.3525 -41.5099 31.4657 12.7313 32.4771 53.5444 TIMING: 3341000 CPU: 9948.34, 0.00296383/step Wall: 9948.34, 0.00296383/step, 1.36583 hours remaining, 206.980469 MB of memory in use. ENERGY: 3341000 761.1611 2095.5409 1957.5453 101.5685 -206399.1097 17677.2494 0.0000 0.0000 34241.1276 -149564.9170 299.0363 -183806.0446 -149465.6391 298.0997 -293.8848 -256.8795 558592.8269 -10.1064 -10.0440 PRESSURE: 3341200 -103.035 25.5919 76.9271 25.5906 -122.491 40.618 76.927 40.619 -149.355 GPRESSURE: 3341200 -38.6069 -50.0945 75.2389 11.0489 -120.671 12.634 25.9055 29.7474 -113.918 PRESSAVG: 3341200 30.0085 8.96701 19.5427 8.96702 -67.2443 66.2743 19.5426 66.2743 19.9491 GPRESSAVG: 3341200 31.0069 7.416 16.2132 9.06095 -68.3194 68.9981 20.554 65.6492 20.2166 TIMING: 3341200 CPU: 9948.93, 0.0029614/step Wall: 9948.93, 0.0029614/step, 1.36455 hours remaining, 206.980469 MB of memory in use. ENERGY: 3341200 795.6501 2035.2955 1898.7895 108.5713 -206445.4910 17893.3571 0.0000 0.0000 34215.7917 -149498.0357 298.8150 -183713.8274 -149397.2051 297.5777 -124.9601 -91.0653 558072.2345 -5.7622 -5.6986 PRESSURE: 3341400 129.301 76.3926 185.017 76.3921 -7.91874 -6.19043 185.019 -6.18973 39.6589 GPRESSURE: 3341400 195.605 26.4111 201.585 16.8816 16.2567 -50.6494 148.209 32.0424 53.46 PRESSAVG: 3341400 -10.2104 -8.51882 -6.77074 -8.51884 -6.43332 76.9145 -6.77065 76.9145 29.7005 GPRESSAVG: 3341400 -9.98909 -7.82165 -4.15132 -8.79783 -6.94139 74.6986 -6.57811 77.5915 30.1224 TIMING: 3341400 CPU: 9949.52, 0.00295282/step Wall: 9949.52, 0.00295282/step, 1.36043 hours remaining, 206.980469 MB of memory in use. ENERGY: 3341400 744.5323 2048.4359 1910.1075 116.3112 -206304.9331 17925.9979 0.0000 0.0000 34104.1991 -149455.3492 297.8405 -183559.5483 -149357.2927 298.2277 53.6805 88.4406 557770.6638 4.3523 4.3973 PRESSURE: 3341600 205.678 181.706 -26.6291 181.707 -4.15693 18.8364 -26.6285 18.835 361.43 GPRESSURE: 3341600 202.851 149.37 -92.2685 170.198 29.644 98.1623 -19.5733 1.33495 419.978 PRESSAVG: 3341600 44.5732 6.32522 60.519 6.32522 -50.4371 44.6158 60.519 44.6159 4.94924 GPRESSAVG: 3341600 43.4633 8.08367 59.0727 6.44796 -49.3806 45.8985 61.3573 43.3846 4.62603 TIMING: 3341600 CPU: 9950.11, 0.00292863/step Wall: 9950.11, 0.00292863/step, 1.34912 hours remaining, 206.980469 MB of memory in use. ENERGY: 3341600 692.8735 2082.8519 1917.8275 109.0505 -206473.1578 18186.5252 0.0000 0.0000 34085.4701 -149398.5591 297.6769 -183484.0292 -149295.7725 298.6050 187.6506 217.4911 557688.0613 -0.3049 -0.4305 PRESSURE: 3341800 -193.984 105.784 -9.19823 105.784 30.7842 -66.5042 -9.19809 -66.5039 -3.2192 GPRESSURE: 3341800 -182.744 175.173 -50.967 86.5233 49.761 -89.5288 27.8138 -50.5269 77.9631 PRESSAVG: 3341800 -23.1287 37.0952 -21.557 37.0952 -33.2481 -17.866 -21.557 -17.866 15.0945 GPRESSAVG: 3341800 -23.004 37.9178 -21.5048 36.4996 -33.5716 -20.757 -23.2908 -13.9865 15.3925 TIMING: 3341800 CPU: 9950.69, 0.00293678/step Wall: 9950.69, 0.00293678/step, 1.35271 hours remaining, 206.980469 MB of memory in use. ENERGY: 3341800 727.4000 2087.9130 1909.7035 115.8064 -206438.0871 17941.7639 0.0000 0.0000 34255.8654 -149399.6349 299.1650 -183655.5003 -149305.9655 298.7923 -55.4730 -18.3399 557286.1826 -13.7608 -13.7277 PRESSURE: 3342000 118.39 67.7101 331.306 67.708 -50.279 -61.6326 331.307 -61.6321 268.514 GPRESSURE: 3342000 149.693 38.7995 366.614 143.093 6.09893 -119.418 275.609 6.30046 278.576 PRESSAVG: 3342000 18.7632 -36.8549 10.4835 -36.8549 -89.8565 34.0154 10.4835 34.0155 62.0114 GPRESSAVG: 3342000 19.1954 -38.3025 13.0032 -35.8485 -89.5212 34.6838 9.76884 31.082 61.2161 TIMING: 3342000 CPU: 9951.28, 0.00292232/step Wall: 9951.28, 0.00292232/step, 1.34589 hours remaining, 206.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3342000 750.9640 2079.6864 1926.4007 110.8003 -206225.8567 17829.7586 0.0000 0.0000 34144.9306 -149383.3160 298.1962 -183528.2466 -149294.7262 298.5102 112.2083 144.7895 556027.2860 -3.0273 -3.0366 PRESSURE: 3342200 -226.879 -208.742 69.7981 -208.741 104.813 -9.63714 69.7992 -9.6355 -105.407 GPRESSURE: 3342200 -192.886 -261.43 110.875 -117.346 109.666 45.0209 128.99 -35.7728 -53.0404 PRESSAVG: 3342200 -42.2734 -56.0074 40.8434 -56.0074 78.4357 9.1785 40.8434 9.1785 -28.5338 GPRESSAVG: 3342200 -41.883 -57.8076 40.3548 -54.9883 77.3818 12.0509 41.0467 10.1898 -28.0234 TIMING: 3342200 CPU: 9951.87, 0.00295883/step Wall: 9951.87, 0.00295883/step, 1.36254 hours remaining, 206.980469 MB of memory in use. ENERGY: 3342200 732.2544 2037.3388 1938.3677 118.4328 -206206.4250 17596.4283 0.0000 0.0000 34331.3418 -149452.2612 299.8241 -183783.6031 -149352.5834 298.8522 -75.8245 -45.4201 556327.9861 2.5428 2.4918 PRESSURE: 3342400 -45.0225 -173.875 -58.1844 -173.875 54.8337 4.33665 -58.185 4.33624 31.1787 GPRESSURE: 3342400 -20.4157 -179.289 1.73046 -145.277 136.536 32.0138 -107.36 13.4466 24.2156 PRESSAVG: 3342400 12.9574 3.52289 -3.48196 3.52284 20.357 -15.937 -3.48204 -15.937 -18.8049 GPRESSAVG: 3342400 11.4592 4.82115 -5.8073 2.40325 21.7966 -19.7061 -1.84451 -15.9362 -18.8802 TIMING: 3342400 CPU: 9952.46, 0.00293989/step Wall: 9952.46, 0.00293989/step, 1.35365 hours remaining, 206.980469 MB of memory in use. ENERGY: 3342400 733.8539 2042.4886 1918.1755 93.9614 -206538.4968 17959.9607 0.0000 0.0000 34055.4882 -149734.5683 297.4150 -183790.0566 -149634.1492 298.5858 13.6633 46.7785 556471.0698 4.8365 4.7919 PRESSURE: 3342600 -171.576 -56.6369 -8.86385 -56.6362 -402.997 125.471 -8.86363 125.471 -146.847 GPRESSURE: 3342600 -200.362 -66.7818 -63.7998 41.1319 -346.856 146.235 -19.2838 71.0408 -72.5421 PRESSAVG: 3342600 16.9111 -6.80068 45.5687 -6.8007 49.8107 30.8664 45.5687 30.8664 -45.2649 GPRESSAVG: 3342600 16.8875 -8.34237 46.0585 -6.83655 50.3199 32.9853 44.0767 30.1739 -45.1822 TIMING: 3342600 CPU: 9953.05, 0.00295565/step Wall: 9953.05, 0.00295565/step, 1.36075 hours remaining, 206.980469 MB of memory in use. ENERGY: 3342600 793.1834 2040.4705 1900.8834 110.4607 -206213.8231 17687.2135 0.0000 0.0000 34013.1115 -149668.5002 297.0450 -183681.6117 -149576.2524 297.2269 -240.4733 -206.5869 557990.0323 7.1523 7.3418 PRESSURE: 3342800 -253.245 195.714 18.8493 195.714 -426.786 24.1369 18.8493 24.1369 -270.207 GPRESSURE: 3342800 -238.165 159.448 6.60962 201.273 -381.524 38.0538 11.702 81.6035 -242.398 PRESSAVG: 3342800 -11.6956 -24.235 16.4146 -24.2351 22.1558 -11.3601 16.4147 -11.36 14.7439 GPRESSAVG: 3342800 -10.6663 -23.5062 16.3698 -24.3309 21.5428 -12.4516 17.3147 -9.85352 14.5053 TIMING: 3342800 CPU: 9953.64, 0.0029449/step Wall: 9953.64, 0.0029449/step, 1.35563 hours remaining, 206.980469 MB of memory in use. ENERGY: 3342800 771.9686 2020.7543 1924.3242 129.5225 -206128.4950 17398.4991 0.0000 0.0000 34260.3376 -149623.0887 299.2040 -183883.4263 -149520.0077 297.9300 -316.7459 -287.3622 557497.6783 8.4014 8.4606 PRESSURE: 3343000 -3.36164 -22.35 134.728 -22.3508 -222.857 31.4052 134.727 31.4054 -120.63 GPRESSURE: 3343000 4.03939 -59.69 54.3197 49.6064 -133.75 13.1596 179.006 29.8603 -120.44 PRESSAVG: 3343000 66.6845 24.339 -15.7485 24.3389 -65.4973 -39.0209 -15.7485 -39.0209 18.3641 GPRESSAVG: 3343000 65.8655 25.5125 -17.3127 24.7458 -64.3825 -38.2753 -15.0312 -39.8544 18.5955 TIMING: 3343000 CPU: 9954.23, 0.00293349/step Wall: 9954.23, 0.00293349/step, 1.35022 hours remaining, 206.980469 MB of memory in use. ENERGY: 3343000 739.0488 2036.6706 1906.3411 103.4364 -206148.9540 17577.2949 0.0000 0.0000 34009.4547 -149776.7075 297.0130 -183786.1622 -149681.0228 298.4736 -115.6162 -83.3836 556394.6787 6.5171 6.6928 PRESSURE: 3343200 -119.453 -135.345 6.26468 -135.346 -136.074 99.2401 6.26548 99.2412 -222.24 GPRESSURE: 3343200 -63.3317 -67.4278 -76.1868 -89.8365 -105.578 4.35007 -42.9511 59.0015 -195.196 PRESSAVG: 3343200 33.3254 18.5929 -19.2534 18.5929 12.5334 10.0098 -19.2535 10.0098 -46.3981 GPRESSAVG: 3343200 33.3037 18.5058 -17.2266 18.2056 12.5712 8.86855 -21.7181 9.98009 -45.8296 TIMING: 3343200 CPU: 9954.81, 0.00294074/step Wall: 9954.81, 0.00294074/step, 1.35339 hours remaining, 206.980469 MB of memory in use. ENERGY: 3343200 723.5119 1985.0223 1924.1357 118.9301 -206204.6722 17523.1638 0.0000 0.0000 34301.0930 -149628.8154 299.5600 -183929.9085 -149530.2109 297.8406 -159.2553 -121.3687 557597.5837 -0.1798 0.0151 PRESSURE: 3343400 437.302 -49.8583 36.2394 -49.8592 155.669 -24.4428 36.2411 -24.4427 115.544 GPRESSURE: 3343400 430.687 -38.7461 98.6114 -40.5799 204.016 -53.3316 7.38071 -2.89812 179.031 PRESSAVG: 3343400 -21.0082 -2.56332 -14.1067 -2.56329 7.93544 -16.5927 -14.1066 -16.5926 22.3218 GPRESSAVG: 3343400 -20.6506 -4.61904 -13.6592 -2.66392 7.49885 -14.7788 -10.974 -16.3497 22.7419 TIMING: 3343400 CPU: 9955.41, 0.0029609/step Wall: 9955.41, 0.0029609/step, 1.36251 hours remaining, 206.980469 MB of memory in use. ENERGY: 3343400 736.1529 2027.8800 1938.0393 119.5338 -206908.2032 18142.6625 0.0000 0.0000 34222.7599 -149721.1748 298.8759 -183943.9347 -149623.6918 297.8902 236.1719 271.2449 554816.3535 3.0830 3.1967 PRESSURE: 3343600 8.24392 46.0339 -21.0884 46.0338 -105.917 154.807 -21.0876 154.807 62.1507 GPRESSURE: 3343600 2.24139 73.5199 -62.7844 -74.1069 -72.8545 112.738 -60.4359 163.11 121.147 PRESSAVG: 3343600 87.4575 -4.90763 16.085 -4.90766 -33.4165 39.914 16.085 39.914 -38.1941 GPRESSAVG: 3343600 89.3039 -3.39275 14.271 -4.26197 -34.5499 41.5675 16.3216 37.6766 -39.7501 TIMING: 3343600 CPU: 9956, 0.00296512/step Wall: 9956, 0.00296512/step, 1.36429 hours remaining, 206.980469 MB of memory in use. ENERGY: 3343600 750.6248 2036.9229 1918.9268 115.0035 -206594.7896 17860.2783 0.0000 0.0000 34183.0554 -149729.9780 298.5291 -183913.0334 -149633.9368 297.3645 -11.8409 16.8446 555607.0904 5.2823 5.0013 PRESSURE: 3343800 -48.9676 -15.6898 -36.387 -15.6906 -152.944 70.429 -36.388 70.4275 -61.8961 GPRESSURE: 3343800 -33.4959 -18.8421 54.5051 22.0258 -142.125 -37.6033 -48.3223 103.634 5.5324 PRESSAVG: 3343800 -45.6578 30.2016 -29.5529 30.2015 73.4034 10.7733 -29.5529 10.7734 -24.5344 GPRESSAVG: 3343800 -47.2639 31.9319 -27.4962 28.9617 74.3461 7.47945 -32.0136 11.2478 -24.1505 TIMING: 3343800 CPU: 9956.59, 0.00295363/step Wall: 9956.59, 0.00295363/step, 1.35883 hours remaining, 206.980469 MB of memory in use. ENERGY: 3343800 729.0781 2101.8402 1944.2835 105.6060 -206373.0168 17570.2905 0.0000 0.0000 33996.6754 -149925.2431 296.9014 -183921.9185 -149825.1111 297.5734 -87.9360 -56.6960 556377.0635 1.0704 0.9772 PRESSURE: 3344000 107.89 -33.7286 70.1021 -33.7289 160.054 140.474 70.1015 140.476 -162.888 GPRESSURE: 3344000 129.023 -104.264 70.7211 -31.9204 243.591 60.5486 35.4693 134.301 -158.515 PRESSAVG: 3344000 0.555477 -1.46078 -78.257 -1.46079 -15.08 14.6452 -78.2569 14.6452 31.844 GPRESSAVG: 3344000 0.0725614 -1.68506 -77.4329 -1.81582 -15.0873 17.5273 -78.6557 14.8035 32.1685 TIMING: 3344000 CPU: 9957.18, 0.00293996/step Wall: 9957.18, 0.00293996/step, 1.35238 hours remaining, 206.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3344000 719.6025 2088.0637 1910.7460 107.1476 -206365.9582 17843.8734 0.0000 0.0000 34002.9611 -149693.5639 296.9563 -183696.5250 -149589.2588 298.1204 35.0184 71.3662 557468.1656 5.7732 5.7179 PRESSURE: 3344200 -410.976 51.3993 27.5221 51.3993 -78.2653 -73.1922 27.5215 -73.1922 52.7795 GPRESSURE: 3344200 -312.963 92.341 -83.3902 91.7766 -131.101 -14.1288 91.1796 -98.7221 102.652 PRESSAVG: 3344200 3.58784 24.1869 -29.7051 24.1868 9.45662 47.9574 -29.705 47.9574 -42.7527 GPRESSAVG: 3344200 3.83463 23.6842 -31.6044 24.7906 9.27004 47.0795 -28.6646 48.1845 -42.9498 TIMING: 3344200 CPU: 9957.77, 0.0029396/step Wall: 9957.77, 0.0029396/step, 1.35205 hours remaining, 206.980469 MB of memory in use. ENERGY: 3344200 758.9294 2041.5847 1937.0574 130.0839 -206047.4623 17481.5813 0.0000 0.0000 34041.1662 -149657.0596 297.2900 -183698.2257 -149551.4829 296.9912 -145.4874 -113.8039 558120.3747 -9.9027 -9.9484 LDB: ============= START OF LOAD BALANCING ============== 9961.31 LDB: ============== END OF LOAD BALANCING =============== 9961.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9961.31 LDB: ============= START OF LOAD BALANCING ============== 9961.61 LDB: Largest compute 4772 load 0.025686 is 21.7% of average load 0.118199 LDB: Average compute 0.001722 is 1.5% of average load 0.118199 LDB: TIME 9961.61 LOAD: AVG 0.118199 MAX 0.196467 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 9961.61 LOAD: AVG 0.118199 MAX 0.196467 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: TIME 9961.61 LOAD: AVG 0.118199 MAX 0.196467 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9961.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9961.62 PRESSURE: 3344400 163.555 -74.5119 -55.469 -74.5122 -141.227 -134.85 -55.4707 -134.851 73.0325 GPRESSURE: 3344400 123.617 -36.6267 -69.6348 -90.4718 -82.2813 -167.71 53.678 -110.577 141.942 PRESSAVG: 3344400 31.8114 -39.1281 -43.9768 -39.1281 -44.4071 -6.05348 -43.9769 -6.05347 60.0212 GPRESSAVG: 3344400 31.0493 -39.9128 -41.827 -38.03 -44.418 -5.63555 -45.6652 -4.96234 61.3611 TIMING: 3344400 CPU: 9958.37, 0.00300158/step Wall: 9958.37, 0.00300158/step, 1.38039 hours remaining, 206.542969 MB of memory in use. ENERGY: 3344400 709.9216 2082.4908 1950.6838 98.7193 -206662.2270 17991.2240 0.0000 0.0000 34208.3276 -149620.8600 298.7498 -183829.1876 -149524.4568 297.5184 31.7868 61.0928 556669.6873 15.8085 15.9975 PRESSURE: 3344600 -206.87 32.3734 138.387 32.3735 -70.5886 -36.5415 138.387 -36.542 -153.546 GPRESSURE: 3344600 -176.732 -18.8463 91.1252 77.7678 -60.0445 -4.48549 163.605 -108.764 -90.9227 PRESSAVG: 3344600 -14.155 -37.2095 -19.5012 -37.2095 0.32337 -30.2679 -19.5012 -30.268 15.7014 GPRESSAVG: 3344600 -14.0212 -35.1098 -21.9496 -38.9003 1.27713 -31.7728 -16.6871 -31.4181 15.5141 TIMING: 3344600 CPU: 9958.96, 0.00295794/step Wall: 9958.96, 0.00295794/step, 1.36016 hours remaining, 206.542969 MB of memory in use. ENERGY: 3344600 816.3718 2056.1058 1923.5511 114.3229 -206566.9046 17892.7400 0.0000 0.0000 34031.5907 -149732.2224 297.2063 -183763.8131 -149637.0798 297.9903 -143.6682 -109.2332 557783.4275 0.6233 0.9234 PRESSURE: 3344800 116.231 0.388669 -18.7266 0.388942 168.615 -26.2515 -18.7268 -26.2519 92.7273 GPRESSURE: 3344800 191.496 19.0796 -14.1174 -20.8643 147.758 -11.1666 -42.3233 -38.1311 140.286 PRESSAVG: 3344800 68.3836 -56.1339 -41.0109 -56.1339 -16.6529 5.97067 -41.0109 5.97064 -0.305082 GPRESSAVG: 3344800 68.8588 -59.3958 -37.3668 -54.1017 -16.586 5.29578 -42.3208 5.67886 -1.0836 TIMING: 3344800 CPU: 9959.55, 0.00295821/step Wall: 9959.55, 0.00295821/step, 1.36012 hours remaining, 206.542969 MB of memory in use. ENERGY: 3344800 728.2535 2065.1866 1945.7201 117.3148 -206929.9092 18251.7415 0.0000 0.0000 33947.2474 -149874.4453 296.4698 -183821.6927 -149777.2657 297.3401 125.8578 159.8468 556655.1696 17.1419 17.0631 PRESSURE: 3345000 -248.266 66.7173 -9.73107 66.7166 -21.2025 -139.58 -9.73162 -139.581 -175.281 GPRESSURE: 3345000 -178.454 4.01868 -4.97113 109.829 9.33199 -212.632 73.5137 -156.426 -167.355 PRESSAVG: 3345000 52.7281 4.34947 25.3985 4.34942 -54.4876 35.1748 25.3986 35.1747 -10.8866 GPRESSAVG: 3345000 53.4805 5.02735 22.4236 2.66702 -56.2164 37.7877 26.9598 34.4272 -10.1849 TIMING: 3345000 CPU: 9960.14, 0.00294623/step Wall: 9960.14, 0.00294623/step, 1.35445 hours remaining, 206.542969 MB of memory in use. ENERGY: 3345000 793.6786 2094.1339 1934.0304 107.7114 -206440.4017 17733.6663 0.0000 0.0000 34015.2842 -149761.8968 297.0639 -183777.1810 -149666.2661 297.5776 -148.2496 -112.1590 556947.0016 -4.2154 -4.3069 PRESSURE: 3345200 211.916 21.662 32.413 21.6606 -174.803 -36.8566 32.4131 -36.8571 -8.70416 GPRESSURE: 3345200 240.826 -28.5491 -13.593 78.5373 -120.677 -52.7531 40.8204 -36.344 11.1282 PRESSAVG: 3345200 26.6259 66.5845 -0.000801944 66.5845 22.3052 20.6783 -0.000621002 20.6783 -29.1735 GPRESSAVG: 3345200 26.6451 68.4207 0.254461 65.523 23.5968 17.8492 -1.05709 18.8968 -30.3492 TIMING: 3345200 CPU: 9960.73, 0.00294956/step Wall: 9960.73, 0.00294956/step, 1.35582 hours remaining, 206.542969 MB of memory in use. ENERGY: 3345200 724.4187 2097.7468 1916.5211 116.5227 -206423.1709 17771.1237 0.0000 0.0000 34074.3268 -149722.5111 297.5796 -183796.8379 -149623.1150 297.7851 9.4696 43.7589 557816.6660 6.5859 6.6309 PRESSURE: 3345400 -112.914 -5.42362 -21.5345 -5.42337 -128.227 79.8949 -21.5343 79.8943 -154.582 GPRESSURE: 3345400 -93.7204 17.811 17.5354 67.1318 -94.6403 104.087 -57.9763 144.303 -123.073 PRESSAVG: 3345400 38.3319 26.9484 32.6072 26.9483 -8.23824 19.2482 32.6072 19.2482 -57.3889 GPRESSAVG: 3345400 37.239 24.6221 32.2246 28.5086 -7.42015 18.2155 31.2166 23.0325 -57.6887 TIMING: 3345400 CPU: 9961.31, 0.00292813/step Wall: 9961.31, 0.00292813/step, 1.3458 hours remaining, 206.542969 MB of memory in use. ENERGY: 3345400 762.0269 2041.3051 1932.1210 119.0493 -206344.3790 17666.5843 0.0000 0.0000 34194.0552 -149629.2372 298.6252 -183823.2924 -149537.2222 298.0569 -131.9078 -103.8111 557322.6554 -9.0984 -9.2900 PRESSURE: 3345600 8.23542 -163.391 -123.297 -163.39 32.9478 18.6407 -123.297 18.6399 -68.7016 GPRESSURE: 3345600 69.4322 -253.758 -105.291 -51.7698 22.2932 -83.7414 -70.5749 36.6879 -16.4072 PRESSAVG: 3345600 -71.2614 -0.468347 8.63831 -0.468337 17.0431 12.1754 8.63833 12.1753 26.9197 GPRESSAVG: 3345600 -70.5341 0.648452 8.16802 0.608155 14.7916 13.1834 10.1403 11.5505 27.6957 TIMING: 3345600 CPU: 9961.91, 0.00297644/step Wall: 9961.91, 0.00297644/step, 1.36784 hours remaining, 206.542969 MB of memory in use. ENERGY: 3345600 747.8035 2077.2247 1961.5830 106.2719 -206421.5386 17792.6653 0.0000 0.0000 34053.3729 -149682.6174 297.3966 -183735.9902 -149584.5211 298.2773 -9.1728 25.1061 556589.6757 -9.0995 -9.3489 PRESSURE: 3345800 87.4329 65.2482 -123.034 65.2485 267.171 65.9983 -123.034 65.9979 33.3696 GPRESSURE: 3345800 81.6665 17.1641 -91.8693 19.2798 292.695 -31.9799 -131.876 167.8 117.434 PRESSAVG: 3345800 24.6887 -34.1155 -9.46302 -34.1154 25.7175 51.5971 -9.463 51.5971 -15.3983 GPRESSAVG: 3345800 24.7971 -33.2124 -6.22774 -35.6811 26.7069 49.2695 -12.6226 54.1552 -16.7203 TIMING: 3345800 CPU: 9962.5, 0.00294932/step Wall: 9962.5, 0.00294932/step, 1.35521 hours remaining, 206.542969 MB of memory in use. ENERGY: 3345800 764.7727 2083.1076 1939.4615 115.7046 -207006.0016 18215.4028 0.0000 0.0000 34159.0814 -149728.4711 298.3198 -183887.5525 -149639.4070 297.4100 129.3244 163.9319 557047.8070 11.6693 11.5946 PRESSURE: 3346000 -256.678 77.6566 6.5574 77.6575 26.9556 100.425 6.55719 100.425 55.4551 GPRESSURE: 3346000 -228.669 22.9863 0.541977 166.896 62.3698 86.916 -21.4534 129.858 99.5136 PRESSAVG: 3346000 39.8606 22.3402 6.60527 22.3402 4.50641 14.8213 6.60516 14.8213 41.2945 GPRESSAVG: 3346000 38.5476 19.3327 2.27088 24.2802 4.83422 17.7834 9.18444 13.9704 42.3435 TIMING: 3346000 CPU: 9963.09, 0.00294873/step Wall: 9963.09, 0.00294873/step, 1.35478 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3346000 736.8957 2041.9181 1922.7021 116.8687 -206666.7243 17902.3716 0.0000 0.0000 33989.0032 -149956.9647 296.8344 -183945.9680 -149857.9411 297.8529 -58.0892 -22.2618 556180.3951 28.5538 28.5751 PRESSURE: 3346200 -32.5889 -45.6425 -11.5596 -45.6435 -46.8147 -54.9843 -11.5595 -54.9838 -95.5936 GPRESSURE: 3346200 1.56734 -75.2236 71.3952 -86.3313 45.57 -96.9191 -89.0572 -120.513 -124.703 PRESSAVG: 3346200 -59.5722 27.0571 -12.7956 27.0571 15.4834 44.622 -12.7955 44.6219 39.9164 GPRESSAVG: 3346200 -58.1369 28.1837 -10.9861 24.5819 13.9487 43.3161 -11.8298 43.0701 40.5097 TIMING: 3346200 CPU: 9963.68, 0.00294409/step Wall: 9963.68, 0.00294409/step, 1.35248 hours remaining, 206.542969 MB of memory in use. ENERGY: 3346200 730.2971 2078.6018 1945.1040 110.4871 -206902.3415 17848.9867 0.0000 0.0000 34071.8944 -150116.9703 297.5583 -184188.8648 -150011.8104 297.2774 -58.3324 -25.8553 554905.3154 -1.3908 -1.2262 PRESSURE: 3346400 38.9469 168.266 -14.9959 168.267 -68.6094 -106.514 -14.9954 -106.514 -223.165 GPRESSURE: 3346400 16.9819 146.065 4.97671 176.457 7.24975 15.9993 -48.3509 -150.638 -165.628 PRESSAVG: 3346400 -6.19564 3.71316 -1.46667 3.71301 35.0113 -49.1296 -1.46673 -49.1296 -27.1875 GPRESSAVG: 3346400 -6.27043 5.59125 -0.318682 6.60458 35.5214 -47.0164 -2.75409 -48.1215 -28.0024 TIMING: 3346400 CPU: 9964.27, 0.00294662/step Wall: 9964.27, 0.00294662/step, 1.35348 hours remaining, 206.542969 MB of memory in use. ENERGY: 3346400 734.5743 2109.7095 1949.2379 122.7208 -206972.3944 17951.7899 0.0000 0.0000 34068.7491 -150035.6129 297.5309 -184104.3620 -149928.9105 297.5630 -84.2759 -47.1320 556019.5670 0.5427 0.4162 PRESSURE: 3346600 -35.0962 127.225 67.2377 127.224 -89.4465 25.0246 67.2381 25.0235 20.3604 GPRESSURE: 3346600 -5.88905 124.546 94.7706 118.05 -87.3328 48.2407 89.0151 66.7476 76.5071 PRESSAVG: 3346600 27.6468 25.0651 -20.9806 25.0651 -9.33559 -4.07636 -20.9807 -4.07622 -24.7496 GPRESSAVG: 3346600 27.5762 24.2695 -21.5368 24.4207 -9.87074 -4.1781 -21.9108 -5.97712 -24.7974 TIMING: 3346600 CPU: 9964.86, 0.00295762/step Wall: 9964.86, 0.00295762/step, 1.35837 hours remaining, 206.542969 MB of memory in use. ENERGY: 3346600 738.3492 2010.4819 1913.7229 113.3653 -206762.3290 17883.7832 0.0000 0.0000 34141.2790 -149961.3476 298.1643 -184102.6266 -149863.3563 297.5452 -34.7274 -5.5716 554914.1750 -2.1461 -2.3640 PRESSURE: 3346800 -93.7774 149.993 94.4148 149.993 -20.7924 199.433 94.4143 199.433 142.45 GPRESSURE: 3346800 -29.7407 92.0924 87.3106 144.401 28.8931 242.284 152.442 199.698 120.163 PRESSAVG: 3346800 -21.0751 36.2116 36.9537 36.2116 44.6394 19.9744 36.9537 19.9744 -17.9997 GPRESSAVG: 3346800 -21.5769 36.4929 35.515 34.9253 45.3474 17.5778 40.795 20.8479 -18.5137 TIMING: 3346800 CPU: 9965.45, 0.00296772/step Wall: 9965.45, 0.00296772/step, 1.36284 hours remaining, 206.800781 MB of memory in use. ENERGY: 3346800 713.1600 2076.5396 1932.0103 122.5611 -206562.7992 17771.3546 0.0000 0.0000 34213.8613 -149733.3123 298.7982 -183947.1736 -149635.6636 297.8043 9.2934 39.7719 555385.9856 1.8549 1.7523 PRESSURE: 3347000 192.009 -199.081 19.965 -199.079 -177.704 39.6079 19.9642 39.6067 3.75624 GPRESSURE: 3347000 241.613 -197.369 8.81665 -227.814 -158.606 56.67 13.2393 20.6461 48.0309 PRESSAVG: 3347000 3.22369 14.3691 22.7233 14.3692 18.056 -9.75674 22.7233 -9.75689 7.02426 GPRESSAVG: 3347000 3.87729 13.6584 24.5148 14.7231 17.8779 -8.90636 21.8909 -7.95243 7.02222 TIMING: 3347000 CPU: 9966.04, 0.00295271/step Wall: 9966.04, 0.00295271/step, 1.35579 hours remaining, 206.800781 MB of memory in use. ENERGY: 3347000 707.3564 2038.3624 1926.5958 126.7491 -206184.6242 17730.4267 0.0000 0.0000 34068.9843 -149586.1495 297.5329 -183655.1338 -149489.2306 298.1756 6.0203 43.6791 554905.2949 9.4347 9.5925 PRESSURE: 3347200 -33.0814 -9.26568 11.5766 -9.26562 -31.4853 36.9658 11.5764 36.9672 -131.868 GPRESSURE: 3347200 42.248 -2.37282 24.0823 18.5694 -33.4264 2.73452 -56.9256 41.7925 -106.971 PRESSAVG: 3347200 0.336735 23.0658 0.652017 23.0658 -18.8964 -16.1622 0.651935 -16.1622 31.4171 GPRESSAVG: 3347200 0.941505 22.6607 0.247541 24.4211 -19.2275 -16.3262 -1.9327 -16.7156 31.5008 TIMING: 3347200 CPU: 9966.63, 0.00293937/step Wall: 9966.63, 0.00293937/step, 1.3495 hours remaining, 206.800781 MB of memory in use. ENERGY: 3347200 753.7563 2072.1760 1970.8191 103.1185 -206478.5051 17825.5179 0.0000 0.0000 34103.1216 -149649.9957 297.8310 -183753.1173 -149558.4341 298.0324 -65.4783 -32.7165 556608.8907 4.2858 4.4049 PRESSURE: 3347400 177.168 45.4792 -24.9062 45.4797 84.4468 52.9784 -24.9069 52.9777 -70.5811 GPRESSURE: 3347400 176.345 114.596 -12.2833 26.1458 104.618 19.4202 22.8449 81.652 -0.674822 PRESSAVG: 3347400 -47.0671 -1.13182 37.6918 -1.13184 -7.26084 15.6885 37.6918 15.6885 60.935 GPRESSAVG: 3347400 -48.2895 0.368634 37.6655 -2.76497 -6.49672 15.8514 38.3873 14.3972 61.7587 TIMING: 3347400 CPU: 9967.22, 0.00293936/step Wall: 9967.22, 0.00293936/step, 1.34933 hours remaining, 206.800781 MB of memory in use. ENERGY: 3347400 756.1215 2021.8447 1949.5423 120.6758 -207076.4189 18210.5043 0.0000 0.0000 34275.2102 -149742.5201 299.3339 -184017.7303 -149647.2114 298.9200 63.6777 93.4296 557517.9861 2.2024 2.3242 PRESSURE: 3347600 -205.193 -184.126 -18.3888 -184.126 -73.2406 89.501 -18.3889 89.5023 -298.45 GPRESSURE: 3347600 -251.804 -124.223 -0.0198 -175.52 1.47277 100.832 31.2779 102.547 -223.563 PRESSAVG: 3347600 -18.5024 -17.4041 -10.5104 -17.404 -40.4234 37.7025 -10.5103 37.7027 54.2125 GPRESSAVG: 3347600 -18.8335 -19.1338 -10.1207 -15.9731 -40.6194 38.1336 -9.54664 38.25 54.9135 TIMING: 3347600 CPU: 9967.81, 0.00293774/step Wall: 9967.81, 0.00293774/step, 1.34842 hours remaining, 206.800781 MB of memory in use. ENERGY: 3347600 724.2486 2074.3691 1936.9687 119.5462 -206138.5604 17535.3743 0.0000 0.0000 34187.4093 -149560.6443 298.5671 -183748.0536 -149467.3678 297.8632 -192.2944 -157.9646 556244.5303 -1.5711 -1.5131 PRESSURE: 3347800 -86.9034 -2.09058 127.073 -2.09098 25.2317 61.4521 127.074 61.4511 -268.275 GPRESSURE: 3347800 -63.413 72.7961 100.752 -76.3248 19.051 46.3984 161.234 71.2035 -199.848 PRESSAVG: 3347800 31.2973 -6.49906 -49.1115 -6.49906 -100.951 -0.757865 -49.1115 -0.757846 53.9874 GPRESSAVG: 3347800 32.0428 -5.86196 -49.8172 -8.66974 -101.061 0.202955 -49.5408 -1.82081 53.4829 TIMING: 3347800 CPU: 9968.4, 0.00296303/step Wall: 9968.4, 0.00296303/step, 1.35986 hours remaining, 206.800781 MB of memory in use. ENERGY: 3347800 740.7241 2073.5299 1933.4767 109.8471 -205905.8783 17493.4366 0.0000 0.0000 34282.6616 -149272.2023 299.3990 -183554.8639 -149178.8805 298.8209 -109.9822 -81.4033 557696.5044 -5.2221 -5.1784 PRESSURE: 3348000 197.181 -87.6763 112.146 -87.6773 -26.3453 47.0028 112.147 47.004 -363.684 GPRESSURE: 3348000 212.399 -29.3319 100.702 -99.0417 22.4549 -8.63162 132.338 62.7143 -340.426 PRESSAVG: 3348000 20.4712 -45.2292 10.2713 -45.2293 57.5791 -23.6841 10.2713 -23.6841 -46.4618 GPRESSAVG: 3348000 19.9402 -46.6184 11.3841 -45.4362 57.4767 -26.3664 9.18698 -19.3969 -45.9525 TIMING: 3348000 CPU: 9968.99, 0.00295925/step Wall: 9968.99, 0.00295925/step, 1.35797 hours remaining, 206.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3348000 742.7553 2064.5553 1952.7428 113.8185 -206247.6277 17732.2676 0.0000 0.0000 34248.9526 -149392.5356 299.1046 -183641.4882 -149297.7055 299.4778 -64.2827 -35.1907 558838.6724 10.5295 10.4881 PRESSURE: 3348200 -74.0455 -106.812 71.9676 -106.812 72.724 36.869 71.9675 36.8688 -175.542 GPRESSURE: 3348200 -72.1673 -22.3405 41.0981 -78.3324 94.3954 11.1678 47.6217 -5.08377 -106.04 PRESSAVG: 3348200 -36.6305 -51.5985 6.71137 -51.5985 54.6205 54.0011 6.71133 54.0011 -17.7979 GPRESSAVG: 3348200 -36.4019 -49.9522 4.95253 -51.8194 54.6826 56.0608 6.828 52.3713 -17.4143 TIMING: 3348200 CPU: 9969.59, 0.00298046/step Wall: 9969.59, 0.00298046/step, 1.36754 hours remaining, 206.800781 MB of memory in use. ENERGY: 3348200 751.9369 2062.5616 1937.9740 110.0523 -206524.4276 17969.9531 0.0000 0.0000 34225.2010 -149466.7486 298.8972 -183691.9496 -149369.7075 298.9162 -58.9544 -27.9373 557620.7905 0.0640 0.2888 LDB: ============= START OF LOAD BALANCING ============== 9973.13 LDB: ============== END OF LOAD BALANCING =============== 9973.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9973.13 LDB: ============= START OF LOAD BALANCING ============== 9973.43 LDB: Largest compute 4772 load 0.025792 is 21.8% of average load 0.118231 LDB: Average compute 0.001725 is 1.5% of average load 0.118231 LDB: TIME 9973.43 LOAD: AVG 0.118231 MAX 0.197073 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.02 MB LDB: TIME 9973.43 LOAD: AVG 0.118231 MAX 0.197073 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.02 MB LDB: TIME 9973.43 LOAD: AVG 0.118231 MAX 0.197073 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.02 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9973.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9973.44 PRESSURE: 3348400 -17.1705 0.604231 -120.352 0.603421 -80.3471 -51.3167 -120.352 -51.3186 -210.182 GPRESSURE: 3348400 -10.6842 71.0292 -23.1655 -15.9277 3.15277 -73.9892 -143.907 -60.2419 -199.858 PRESSAVG: 3348400 -1.49723 -4.83297 4.30947 -4.83309 39.9138 -24.6973 4.30935 -24.6973 -55.8581 GPRESSAVG: 3348400 -0.421662 -4.25115 6.44672 -2.74532 41.7633 -25.8851 3.74829 -24.2359 -58.044 TIMING: 3348400 CPU: 9970.19, 0.00301431/step Wall: 9970.19, 0.00301431/step, 1.3829 hours remaining, 206.542969 MB of memory in use. ENERGY: 3348400 728.1403 2056.9210 1913.7894 118.1811 -205954.3003 17592.9858 0.0000 0.0000 34064.9663 -149479.3164 297.4978 -183544.2827 -149386.7303 298.7062 -102.5664 -69.1298 557136.4114 -5.8139 -5.5675 PRESSURE: 3348600 -257.549 81.4798 -22.9324 81.481 -331.715 149.236 -22.9318 149.238 -296.055 GPRESSURE: 3348600 -283.914 113.991 -39.7285 40.0103 -293.954 170.379 24.8267 114.901 -202.271 PRESSAVG: 3348600 -40.5578 8.15514 -35.3918 8.15522 -2.18747 23.6113 -35.3917 23.6114 35.5175 GPRESSAVG: 3348600 -40.4309 6.30456 -35.7527 6.47717 -4.04264 24.0639 -33.014 21.3047 37.6544 TIMING: 3348600 CPU: 9970.78, 0.00297354/step Wall: 9970.78, 0.00297354/step, 1.36403 hours remaining, 206.542969 MB of memory in use. ENERGY: 3348600 760.8345 2085.9328 1920.0125 119.3300 -205913.9293 17480.0489 0.0000 0.0000 33995.2130 -149552.5577 296.8887 -183547.7707 -149456.8992 298.0020 -295.1063 -260.0466 557812.9053 -2.4093 -2.2731 PRESSURE: 3348800 140.243 -26.5671 137.213 -26.567 -41.9441 36.4248 137.213 36.4262 -131.091 GPRESSURE: 3348800 137.799 -43.7593 185.192 -48.1166 61.8784 73.5604 156.165 -8.65534 -136.507 PRESSAVG: 3348800 9.80816 1.35258 -13.7836 1.35257 -7.77606 -30.41 -13.7837 -30.4099 -25.3944 GPRESSAVG: 3348800 9.6085 0.0510451 -12.6356 3.61806 -6.88015 -30.1604 -15.8684 -30.2175 -25.8727 TIMING: 3348800 CPU: 9971.38, 0.00296025/step Wall: 9971.38, 0.00296025/step, 1.35777 hours remaining, 206.542969 MB of memory in use. ENERGY: 3348800 750.3759 2003.5993 1941.7362 125.4729 -206356.4412 17803.8889 0.0000 0.0000 34109.4513 -149621.9167 297.8863 -183731.3680 -149523.5169 297.7796 -10.9305 21.0570 556176.0365 -7.7874 -7.7148 PRESSURE: 3349000 -89.3919 -216.223 38.7509 -216.223 346.599 -2.13682 38.7514 -2.13731 -204.496 GPRESSURE: 3349000 -88.2754 -145.191 -30.7169 -245.969 430.845 128.151 -16.2605 -74.1704 -186.014 PRESSAVG: 3349000 -19.222 -24.4121 -52.5934 -24.4121 24.6731 -13.4896 -52.5934 -13.4896 25.1586 GPRESSAVG: 3349000 -20.0514 -21.5475 -55.482 -25.4201 23.9948 -14.4603 -51.8137 -12.9023 25.973 TIMING: 3349000 CPU: 9971.97, 0.00295414/step Wall: 9971.97, 0.00295414/step, 1.3548 hours remaining, 206.542969 MB of memory in use. ENERGY: 3349000 718.8593 2107.3704 1937.1678 117.1533 -206383.7714 17889.1657 0.0000 0.0000 34388.8290 -149225.2260 300.3262 -183614.0549 -149130.4416 298.2787 17.5705 52.1853 556389.1107 10.2032 9.9721 PRESSURE: 3349200 9.75609 58.4337 91.1241 58.4334 -18.0398 -97.2753 91.1231 -97.2744 -87.5441 GPRESSURE: 3349200 73.446 0.109 162.924 85.7089 51.7915 -20.1284 60.4745 -150.167 -132.932 PRESSAVG: 3349200 -41.5365 -10.5509 31.3423 -10.5509 41.2331 45.3106 31.3422 45.3106 -47.0376 GPRESSAVG: 3349200 -41.9281 -10.7232 31.9951 -10.6513 40.8222 45.2917 33.5402 43.8892 -46.9984 TIMING: 3349200 CPU: 9972.55, 0.00293156/step Wall: 9972.55, 0.00293156/step, 1.34428 hours remaining, 206.542969 MB of memory in use. ENERGY: 3349200 758.2605 2050.3018 1961.2252 113.0099 -206271.9055 17784.6497 0.0000 0.0000 34268.4647 -149335.9938 299.2750 -183604.4585 -149243.8285 299.0832 -31.9426 -2.5648 556925.1757 -15.7803 -16.0347 PRESSURE: 3349400 -394.993 -9.02379 -48.7073 -9.02413 -271.793 100.272 -48.7081 100.273 -235.901 GPRESSURE: 3349400 -405.566 37.9356 -73.8715 28.7753 -227.405 164.41 -91.2177 62.1216 -178.978 PRESSAVG: 3349400 10.3211 11.4384 -32.5482 11.4382 59.2851 24.275 -32.5482 24.2749 -9.83399 GPRESSAVG: 3349400 10.2612 13.8041 -30.6771 8.76368 59.5665 25.0117 -35.4716 25.8859 -10.0136 TIMING: 3349400 CPU: 9973.14, 0.00294772/step Wall: 9973.14, 0.00294772/step, 1.35153 hours remaining, 206.542969 MB of memory in use. ENERGY: 3349400 775.1999 2054.2444 1933.7580 103.9797 -205606.2471 17432.3687 0.0000 0.0000 34081.5062 -149225.1902 297.6423 -183306.6964 -149127.6221 299.4864 -300.8957 -270.6495 557193.4758 19.9241 19.9381 PRESSURE: 3349600 47.4383 162.833 29.1263 162.833 192.322 107.318 29.1268 107.317 204.29 GPRESSURE: 3349600 47.6118 185.337 119.639 188.981 231.499 83.5646 -29.4252 172.305 283.624 PRESSAVG: 3349600 -14.4043 34.7955 -20.2313 34.7954 43.5627 48.3314 -20.2313 48.3314 -14.5698 GPRESSAVG: 3349600 -14.7773 33.1959 -21.0092 38.026 44.1916 45.3361 -20.3452 49.9334 -14.8501 TIMING: 3349600 CPU: 9973.73, 0.00293325/step Wall: 9973.73, 0.00293325/step, 1.34473 hours remaining, 206.542969 MB of memory in use. ENERGY: 3349600 726.5024 2094.6939 1934.7326 112.3456 -206226.0704 17772.8785 0.0000 0.0000 34168.1359 -149416.7814 298.3988 -183584.9174 -149314.6167 299.0300 148.0168 187.5781 553218.7686 4.8628 4.8547 PRESSURE: 3349800 150.584 182.666 -92.2844 182.666 63.4727 78.9716 -92.2847 78.972 96.2425 GPRESSURE: 3349800 189.401 126.064 -163.969 182.828 101.605 27.4718 -69.1555 64.1502 118.292 PRESSAVG: 3349800 25.59 12.5051 -29.8652 12.505 15.5752 26.6779 -29.8652 26.6779 -57.2921 GPRESSAVG: 3349800 26.3628 12.1329 -31.7656 12.7768 14.798 29.0988 -28.2912 25.1932 -57.0383 TIMING: 3349800 CPU: 9974.31, 0.00291466/step Wall: 9974.31, 0.00291466/step, 1.33605 hours remaining, 206.542969 MB of memory in use. ENERGY: 3349800 722.9913 2052.2191 1950.6363 114.8933 -206215.3361 17648.7664 0.0000 0.0000 34306.3101 -149419.5196 299.6055 -183725.8297 -149314.0495 298.7078 103.4331 136.4325 555026.2742 -5.3756 -5.2925 PRESSURE: 3350000 4.33908 -122.985 2.35886 -122.984 61.9753 -49.1353 2.35826 -49.1339 -271.879 GPRESSURE: 3350000 12.9296 -189.296 -36.5803 -5.55682 89.3414 22.8779 -17.6748 -54.487 -206.621 PRESSAVG: 3350000 -51.6687 53.8614 -8.16476 53.8613 59.8065 7.78483 -8.16474 7.78476 -2.18648 GPRESSAVG: 3350000 -51.1136 53.2776 -6.50552 51.8904 59.9 7.18814 -9.00096 7.41039 -2.51817 TIMING: 3350000 CPU: 9974.9, 0.00293089/step Wall: 9974.9, 0.00293089/step, 1.34332 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3350000 721.2498 2092.4746 1963.4499 117.2394 -206245.5700 17496.7840 0.0000 0.0000 34199.0815 -149655.2907 298.6691 -183854.3722 -149566.8864 298.3080 -68.5214 -34.7832 555398.9968 1.9838 2.0894 PRESSURE: 3350200 -242.99 -49.3174 48.5308 -49.3185 216.468 74.6327 48.5319 74.631 211.846 GPRESSURE: 3350200 -253.48 -47.2561 67.8388 -18.4282 251.41 27.4433 25.2292 -12.692 290.506 PRESSAVG: 3350200 6.89417 20.4972 16.2535 20.4972 27.3725 -3.20393 16.2536 -3.20388 -15.9949 GPRESSAVG: 3350200 6.37294 19.3107 16.0894 23.4362 26.9855 -3.71201 17.522 -2.36893 -15.4207 TIMING: 3350200 CPU: 9975.48, 0.00292314/step Wall: 9975.48, 0.00292314/step, 1.33961 hours remaining, 206.542969 MB of memory in use. ENERGY: 3350200 749.6840 2111.2154 1934.9694 108.6421 -206974.6889 18227.4012 0.0000 0.0000 34060.0938 -149782.6831 297.4553 -183842.7769 -149683.1018 298.5488 61.7747 96.1455 554596.0797 6.0906 5.9793 PRESSURE: 3350400 -235.01 -51.1987 64.7833 -51.1981 -290.279 -49.7492 64.7836 -49.7486 -35.7253 GPRESSURE: 3350400 -209.069 -67.1768 97.7921 -22.5797 -274.121 39.3687 -2.05327 -66.9909 22.5038 PRESSAVG: 3350400 -50.0874 5.66217 34.4089 5.66221 39.302 -5.56287 34.4089 -5.56298 39.4167 GPRESSAVG: 3350400 -50.3646 6.44762 34.3728 4.32343 40.3869 -5.84617 33.8731 -6.01386 38.9373 TIMING: 3350400 CPU: 9976.07, 0.00293441/step Wall: 9976.07, 0.00293441/step, 1.34461 hours remaining, 206.542969 MB of memory in use. ENERGY: 3350400 740.1064 2095.4241 1955.9005 110.0068 -206277.3613 17554.4304 0.0000 0.0000 34081.2407 -149740.2524 297.6400 -183821.4930 -149643.1957 298.2321 -187.0049 -153.5622 556561.8703 9.5438 9.6532 PRESSURE: 3350600 61.7348 9.93539 -40.53 9.93483 -116.849 130.757 -40.5302 130.756 306.378 GPRESSURE: 3350600 72.74 7.1928 -3.27107 50.2078 -70.7674 199.383 -30.4867 63.1167 344.124 PRESSAVG: 3350600 -5.21931 10.536 21.8365 10.5359 -56.5454 20.114 21.8365 20.114 53.3609 GPRESSAVG: 3350600 -4.74411 9.81349 22.1486 10.7861 -58.2905 21.3621 20.9462 18.3922 54.4643 TIMING: 3350600 CPU: 9976.65, 0.0029218/step Wall: 9976.65, 0.0029218/step, 1.33867 hours remaining, 206.582031 MB of memory in use. ENERGY: 3350600 729.3367 2135.8383 1957.4727 107.9451 -206519.6398 18030.8050 0.0000 0.0000 33986.2371 -149572.0050 296.8103 -183558.2421 -149475.8904 298.1550 83.7545 115.3655 556764.6864 -2.8013 -2.8567 PRESSURE: 3350800 3.79793 -13.2309 -114.926 -13.2313 -33.7278 -141.93 -114.926 -141.929 -26.5337 GPRESSURE: 3350800 63.6732 -14.1346 -137.447 -5.21001 -42.9841 -177.243 -16.1637 -121.491 3.79634 PRESSAVG: 3350800 16.5412 -20.4868 -20.5644 -20.4868 -43.7867 -55.1149 -20.5645 -55.1151 32.2219 GPRESSAVG: 3350800 17.0243 -20.0694 -20.7315 -21.2934 -42.4248 -55.3439 -19.4471 -52.1628 30.2911 TIMING: 3350800 CPU: 9977.24, 0.00294107/step Wall: 9977.24, 0.00294107/step, 1.34734 hours remaining, 206.582031 MB of memory in use. ENERGY: 3350800 727.0480 2125.9066 1937.8772 115.8171 -206593.5974 17873.2775 0.0000 0.0000 34139.5631 -149674.1079 298.1493 -183813.6710 -149578.3626 298.5591 -18.8212 8.1618 557721.7450 1.6588 1.6302 PRESSURE: 3351000 -215.113 127.244 172.934 127.243 -253.489 25.7043 172.934 25.7044 -255.755 GPRESSURE: 3351000 -134.972 160.743 125.093 178.773 -242.163 22.1718 128.079 14.9389 -245.984 PRESSAVG: 3351000 -11.011 -5.99 32.9807 -5.99 9.22203 10.2685 32.9806 10.2684 -83.8872 GPRESSAVG: 3351000 -12.5151 -5.35682 33.3223 -4.7134 9.62276 7.47603 31.7915 9.48705 -83.1507 TIMING: 3351000 CPU: 9977.83, 0.00294576/step Wall: 9977.83, 0.00294576/step, 1.34932 hours remaining, 206.781250 MB of memory in use. ENERGY: 3351000 733.3415 2067.1945 1945.9151 107.7632 -206151.7666 17555.4103 0.0000 0.0000 34098.0025 -149644.1396 297.7863 -183742.1420 -149542.7348 298.2440 -241.4525 -207.7064 557790.5798 -28.5587 -28.6810 PRESSURE: 3351200 -37.9827 108.106 112.332 108.106 90.3715 5.74136 112.332 5.73959 -353.078 GPRESSURE: 3351200 -57.5425 163.459 146.163 84.76 115.158 -36.1783 93.5116 -30.6344 -268.303 PRESSAVG: 3351200 41.6011 -0.718316 14.5097 -0.718312 -16.2086 22.0296 14.5098 22.0297 -59.8317 GPRESSAVG: 3351200 43.378 0.066814 13.5917 -2.38605 -17.1891 21.8673 14.5011 21.8043 -60.3637 TIMING: 3351200 CPU: 9978.43, 0.00297392/step Wall: 9978.43, 0.00297392/step, 1.36206 hours remaining, 206.781250 MB of memory in use. ENERGY: 3351200 742.4856 2120.5877 1942.8925 116.8252 -206497.1845 17781.2386 0.0000 0.0000 34282.6363 -149510.5186 299.3988 -183793.1550 -149415.8882 298.0206 -100.2299 -70.2290 557120.8509 -11.4797 -11.3916 PRESSURE: 3351400 60.7708 -58.7512 14.027 -58.7506 -121.308 -194.589 14.027 -194.589 -167.789 GPRESSURE: 3351400 76.5516 -73.3329 8.02104 -147.962 -104.048 -139.47 51.3953 -191.051 -106.484 PRESSAVG: 3351400 -43.8996 10.587 32.0621 10.5871 -3.7886 35.4051 32.062 35.405 20.0095 GPRESSAVG: 3351400 -45.549 9.9817 30.9612 11.3916 -1.88878 36.648 32.3949 34.2814 20.3029 TIMING: 3351400 CPU: 9979.02, 0.00295666/step Wall: 9979.02, 0.00295666/step, 1.35398 hours remaining, 206.781250 MB of memory in use. ENERGY: 3351400 724.8680 2050.8060 1976.3726 116.1207 -206457.3906 17712.5372 0.0000 0.0000 34219.9579 -149656.7282 298.8514 -183876.6861 -149557.7752 297.9215 -76.1086 -44.6603 556878.1285 -9.2262 -9.0449 PRESSURE: 3351600 -131.944 70.3851 -4.08844 70.386 60.0395 -35.376 -4.08933 -35.3764 -5.01016 GPRESSURE: 3351600 -114.155 5.22433 35.4558 103.637 108.066 -52.7541 -56.9648 -45.9996 32.3277 PRESSAVG: 3351600 -30.7809 14.4104 -14.8471 14.4104 11.8853 30.8374 -14.8471 30.8375 -23.7782 GPRESSAVG: 3351600 -30.5358 13.9187 -14.654 15.2422 10.4312 31.5366 -14.1587 29.7395 -22.9802 TIMING: 3351600 CPU: 9979.61, 0.00294635/step Wall: 9979.61, 0.00294635/step, 1.3491 hours remaining, 206.781250 MB of memory in use. ENERGY: 3351600 731.1943 2060.7407 1967.8451 104.7290 -206376.8070 17745.3045 0.0000 0.0000 34158.6855 -149608.3079 298.3163 -183766.9934 -149513.7091 298.3288 -25.6384 8.7464 556357.5566 -14.2246 -14.3616 PRESSURE: 3351800 -69.24 119.338 1.62376 119.338 126.746 -36.9884 1.62387 -36.9892 177.79 GPRESSURE: 3351800 55.8265 80.5574 -2.6222 74.8544 137.396 -76.3223 4.8783 -17.1044 135.999 PRESSAVG: 3351800 -21.9725 27.3376 -18.313 27.3376 -12.6316 -91.3588 -18.3131 -91.3587 49.4472 GPRESSAVG: 3351800 -20.6212 27.2506 -18.0303 27.5084 -12.6349 -90.5274 -18.7201 -89.8074 48.252 TIMING: 3351800 CPU: 9980.19, 0.00292936/step Wall: 9980.19, 0.00292936/step, 1.34116 hours remaining, 206.781250 MB of memory in use. ENERGY: 3351800 769.6907 2120.9158 1913.7397 110.4475 -206472.5871 17877.0173 0.0000 0.0000 33991.1889 -149689.5872 296.8535 -183680.7760 -149592.6647 297.6200 78.4321 109.7404 555601.0978 4.9477 4.9986 PRESSURE: 3352000 -8.42667 -45.8152 -111.455 -45.815 127.899 110.184 -111.455 110.183 69.4805 GPRESSURE: 3352000 53.2722 -134.247 -151.735 -99.2707 132.47 131.836 -129.552 88.7371 88.3771 PRESSAVG: 3352000 -2.21392 22.1546 -9.86996 22.1546 39.8465 -23.3989 -9.86991 -23.3989 -42.3739 GPRESSAVG: 3352000 -3.39227 21.6328 -11.0937 21.5713 40.1147 -24.8681 -11.038 -23.7429 -42.3972 TIMING: 3352000 CPU: 9980.78, 0.00295287/step Wall: 9980.78, 0.00295287/step, 1.35176 hours remaining, 206.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3352000 768.8283 2121.3957 1907.5304 116.8304 -206860.7589 18029.2681 0.0000 0.0000 34150.4413 -149766.4647 298.2443 -183916.9060 -149664.7990 297.2698 62.9844 91.3730 554822.1416 -1.5804 -1.8916 PRESSURE: 3352200 -162.296 -42.5155 -25.0513 -42.5157 131.071 39.8019 -25.0515 39.8031 -85.043 GPRESSURE: 3352200 -200.126 -68.3276 -18.8717 -43.95 222.335 95.8898 -21.8866 64.6824 -31.2718 PRESSAVG: 3352200 54.3417 -61.2073 29.2088 -61.2073 17.7265 43.0076 29.2088 43.0076 -20.8023 GPRESSAVG: 3352200 53.8285 -60.6783 29.4124 -61.329 17.0803 41.7647 31.6047 43.5352 -20.0564 TIMING: 3352200 CPU: 9981.38, 0.00296434/step Wall: 9981.38, 0.00296434/step, 1.35684 hours remaining, 206.781250 MB of memory in use. ENERGY: 3352200 752.5992 2084.3300 1934.0926 118.4582 -206426.1652 17648.2951 0.0000 0.0000 34088.0416 -149800.3484 297.6993 -183888.3900 -149694.3352 297.4801 -38.7560 -3.0208 554344.3233 17.0886 16.9508 LDB: ============= START OF LOAD BALANCING ============== 9984.92 LDB: ============== END OF LOAD BALANCING =============== 9984.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9984.93 LDB: ============= START OF LOAD BALANCING ============== 9985.22 LDB: Largest compute 4772 load 0.026170 is 22.1% of average load 0.118230 LDB: Average compute 0.001728 is 1.5% of average load 0.118230 LDB: TIME 9985.22 LOAD: AVG 0.11823 MAX 0.197824 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.023 MB LDB: TIME 9985.22 LOAD: AVG 0.11823 MAX 0.197824 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.023 MB LDB: TIME 9985.22 LOAD: AVG 0.11823 MAX 0.197824 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.023 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9985.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9985.23 PRESSURE: 3352400 -51.195 20.1483 36.6474 20.1483 183.043 52.8339 36.648 52.8338 43.0097 GPRESSURE: 3352400 -19.9472 -30.1195 -12.5124 -78.5888 226.871 -11.248 81.0658 87.4669 62.7622 PRESSAVG: 3352400 10.4325 -24.8417 41.4589 -24.8416 48.6067 47.2876 41.459 47.2875 -30.3168 GPRESSAVG: 3352400 12.3493 -27.0148 40.924 -25.2018 47.3194 50.0261 40.1293 45.5351 -31.0432 TIMING: 3352400 CPU: 9981.98, 0.00302504/step Wall: 9981.98, 0.00302504/step, 1.38446 hours remaining, 208.402344 MB of memory in use. ENERGY: 3352400 727.7946 2060.1289 1911.2839 109.5607 -206852.1010 17998.5932 0.0000 0.0000 34181.1758 -149863.5640 298.5127 -184044.7398 -149759.0280 297.5578 58.2860 89.8952 554838.6744 9.5742 9.5418 PRESSURE: 3352600 -215.441 -33.2372 141.865 -33.2363 -249.279 -201.248 141.866 -201.248 -191.46 GPRESSURE: 3352600 -160.335 -57.0776 86.2984 -75.066 -224.882 -161.785 119.925 -212.789 -182.715 PRESSAVG: 3352600 -13.4243 -27.7466 15.3815 -27.7468 -44.1579 4.79416 15.3816 4.79419 -10.4882 GPRESSAVG: 3352600 -14.7944 -27.2979 17.2637 -27.0206 -42.4902 3.11326 15.3227 5.4001 -10.732 TIMING: 3352600 CPU: 9982.57, 0.00294446/step Wall: 9982.57, 0.00294446/step, 1.34742 hours remaining, 208.605469 MB of memory in use. ENERGY: 3352600 713.2389 2078.7964 1931.9888 109.2674 -206336.9408 17509.6031 0.0000 0.0000 34278.0155 -149716.0307 299.3584 -183994.0462 -149610.8902 297.5335 -218.7270 -189.3105 557987.8642 -22.6901 -22.6722 PRESSURE: 3352800 -91.1313 39.2365 74.8592 39.2359 -190.803 45.3431 74.8591 45.3425 -161.363 GPRESSURE: 3352800 -39.9911 134.925 90.5249 -61.8153 -209.073 91.4513 68.2591 -25.5996 -94.1451 PRESSAVG: 3352800 -16.8555 -11.3899 16.8221 -11.39 -19.1168 -29.7569 16.8222 -29.7569 57.3941 GPRESSAVG: 3352800 -17.4082 -11.9185 17.0978 -11.0201 -18.7268 -28.4169 17.2355 -32.2706 57.9154 TIMING: 3352800 CPU: 9983.16, 0.00293124/step Wall: 9983.16, 0.00293124/step, 1.3412 hours remaining, 208.605469 MB of memory in use. ENERGY: 3352800 733.4042 2060.0560 1918.4631 117.4906 -206559.5168 17707.6943 0.0000 0.0000 34194.3182 -149828.0903 298.6275 -184022.4085 -149729.6757 297.9326 -147.7659 -114.4030 557459.3787 7.1406 7.2601 PRESSURE: 3353000 -116.07 -32.7983 59.3291 -32.7988 127.19 -91.0188 59.33 -91.0193 -84.1973 GPRESSURE: 3353000 -57.5752 -91.2621 13.2654 -61.4698 129.196 -116.513 11.6996 -162.934 -41.8574 PRESSAVG: 3353000 11.4053 -3.02236 -33.1778 -3.02243 -70.9463 -37.9621 -33.1777 -37.9622 69.2807 GPRESSAVG: 3353000 12.3946 -0.594835 -31.9876 -5.18816 -71.156 -39.2659 -35.555 -35.9682 68.5489 TIMING: 3353000 CPU: 9983.74, 0.00292679/step Wall: 9983.74, 0.00292679/step, 1.339 hours remaining, 208.605469 MB of memory in use. ENERGY: 3353000 759.7050 2097.5407 1927.0513 104.7011 -206712.8387 17952.4001 0.0000 0.0000 34215.9782 -149655.4621 298.8166 -183871.4403 -149561.5457 297.7023 -24.3593 9.9212 557055.7958 3.2466 3.2625 PRESSURE: 3353200 -80.9491 39.8994 58.9606 39.8999 -101.657 17.9307 58.9598 17.931 121.964 GPRESSURE: 3353200 -30.8506 33.0797 34.4551 86.9752 -94.2596 33.7065 72.5551 31.3215 147.413 PRESSAVG: 3353200 33.4197 18.0289 -6.12768 18.029 -36.7802 -16.5577 -6.12768 -16.5577 22.1705 GPRESSAVG: 3353200 33.776 16.9897 -8.29385 20.2347 -36.2448 -16.3062 -2.50779 -17.5179 21.2153 TIMING: 3353200 CPU: 9984.33, 0.00292604/step Wall: 9984.33, 0.00292604/step, 1.3385 hours remaining, 208.605469 MB of memory in use. ENERGY: 3353200 766.7744 2056.7746 1936.1681 109.0414 -206491.4626 17821.4250 0.0000 0.0000 34247.1050 -149554.1740 299.0885 -183801.2791 -149456.2248 298.5710 -20.2141 7.4344 556710.1264 6.2700 6.2488 PRESSURE: 3353400 14.3157 66.2936 61.5918 66.294 -219.926 -33.3166 61.5921 -33.3164 -35.2169 GPRESSURE: 3353400 -1.72321 80.6363 78.827 74.5975 -123.685 52.1769 108.893 -72.3476 -23.0895 PRESSAVG: 3353400 -20.0647 -15.6751 -30.8405 -15.675 43.7252 19.2432 -30.8405 19.2433 0.292779 GPRESSAVG: 3353400 -20.3986 -15.9033 -30.29 -15.0535 42.4244 21.0834 -32.1259 20.5115 2.01681 TIMING: 3353400 CPU: 9984.92, 0.00295497/step Wall: 9984.92, 0.00295497/step, 1.35157 hours remaining, 208.605469 MB of memory in use. ENERGY: 3353400 733.4797 2077.1442 1952.7449 108.0149 -206181.3856 17715.7689 0.0000 0.0000 34143.2437 -149450.9893 298.1814 -183594.2330 -149350.3933 297.9226 -80.2758 -49.4991 557112.1048 7.9844 8.0142 PRESSURE: 3353600 -379.965 85.2622 -8.85917 85.2602 -224.558 49.6929 -8.85944 49.6934 -22.4945 GPRESSURE: 3353600 -364.899 73.5983 -116.254 91.9951 -183.238 13.4503 3.33947 85.5483 23.1593 PRESSAVG: 3353600 -48.5767 46.3015 0.655265 46.3014 7.0316 2.47083 0.655207 2.47085 24.1161 GPRESSAVG: 3353600 -48.4073 47.082 -2.16619 45.5464 7.02719 2.66662 -0.186972 1.86567 23.9184 TIMING: 3353600 CPU: 9985.5, 0.00293655/step Wall: 9985.5, 0.00293655/step, 1.34298 hours remaining, 208.605469 MB of memory in use. ENERGY: 3353600 787.8127 1971.7503 1943.6931 129.3911 -205679.5949 17357.0211 0.0000 0.0000 33965.0202 -149524.9063 296.6250 -183489.9264 -149418.8060 298.3949 -209.0058 -174.9926 556319.7735 -5.8097 -5.8206 PRESSURE: 3353800 -58.3125 58.7094 -135.971 58.7093 33.787 -9.57535 -135.971 -9.57541 186.704 GPRESSURE: 3353800 28.741 32.4147 -141.402 76.0394 59.2641 -27.6178 -61.9941 -12.7867 166.723 PRESSAVG: 3353800 -76.2552 -23.5235 -44.1469 -23.5234 50.9698 23.3685 -44.1468 23.3685 56.9078 GPRESSAVG: 3353800 -75.7271 -24.3425 -41.2236 -24.8087 50.9002 21.7728 -44.2232 23.8889 56.8243 TIMING: 3353800 CPU: 9986.09, 0.00294304/step Wall: 9986.09, 0.00294304/step, 1.34579 hours remaining, 208.605469 MB of memory in use. ENERGY: 3353800 713.7747 2119.4379 1937.3472 111.1757 -206267.6675 17580.5454 0.0000 0.0000 34212.0758 -149593.3109 298.7826 -183805.3866 -149497.5809 298.1034 54.0596 84.9092 554677.3673 10.5408 10.6658 PRESSURE: 3354000 -21.6163 43.3879 -39.8352 43.388 14.9687 62.8615 -39.8357 62.8621 177.005 GPRESSURE: 3354000 -9.78725 31.4972 -73.9623 112.498 54.217 61.7145 -51.8641 47.0986 229.793 PRESSAVG: 3354000 -26.2556 20.6764 32.4722 20.6763 -2.73576 55.0051 32.4723 55.0049 30.0512 GPRESSAVG: 3354000 -26.6881 21.1366 31.7726 21.6708 -2.54412 56.4561 34.0057 53.7506 30.2938 TIMING: 3354000 CPU: 9986.69, 0.0029609/step Wall: 9986.69, 0.0029609/step, 1.35379 hours remaining, 208.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3354000 744.5476 2067.4719 1930.8939 111.8788 -206503.5175 17827.4166 0.0000 0.0000 34184.1835 -149637.1253 298.5390 -183821.3087 -149539.4020 298.6216 56.7857 91.4074 553737.1208 0.3533 0.3538 PRESSURE: 3354200 84.58 -54.8901 156.167 -54.8902 -48.4652 102.554 156.167 102.554 -11.1503 GPRESSURE: 3354200 133.359 -129.175 173.437 40.5106 -0.745287 117.486 159.594 6.09114 -21.3053 PRESSAVG: 3354200 -47.1354 7.75284 -36.2434 7.75293 8.7748 12.2204 -36.2435 12.2204 26.738 GPRESSAVG: 3354200 -46.1579 6.2101 -36.3802 9.41522 9.05254 11.4502 -36.4487 12.4588 26.0934 TIMING: 3354200 CPU: 9987.27, 0.00294468/step Wall: 9987.27, 0.00294468/step, 1.34621 hours remaining, 208.605469 MB of memory in use. ENERGY: 3354200 727.7569 2129.4649 1949.5419 108.6728 -206349.7520 17661.9524 0.0000 0.0000 34304.6475 -149467.7155 299.5910 -183772.3631 -149379.3054 298.7897 8.3215 37.1027 555947.8993 -3.8742 -3.6706 PRESSURE: 3354400 -89.4122 -33.0129 55.9785 -33.0124 -239.817 -129.404 55.9784 -129.404 -229.243 GPRESSURE: 3354400 -43.0665 -55.8572 14.2227 -82.4707 -200.641 -178.881 104.332 -67.4201 -214.323 PRESSAVG: 3354400 -12.9372 9.89116 32.1839 9.89124 -30.9938 45.7321 32.1839 45.7321 7.20039 GPRESSAVG: 3354400 -14.5079 10.5617 33.5065 7.88393 -30.0344 46.6352 31.1163 44.0809 7.60095 TIMING: 3354400 CPU: 9987.86, 0.00293813/step Wall: 9987.86, 0.00293813/step, 1.34305 hours remaining, 208.605469 MB of memory in use. ENERGY: 3354400 743.5297 2096.8609 1936.1849 109.0231 -206004.6037 17562.6611 0.0000 0.0000 34219.2814 -149337.0626 298.8455 -183556.3440 -149240.8665 299.0475 -186.1574 -152.6771 557735.5598 -12.2435 -12.3138 PRESSURE: 3354600 14.2006 69.6276 -173.993 69.6274 -151.504 27.7566 -173.992 27.7569 35.9467 GPRESSURE: 3354600 6.45082 24.0398 -242.819 15.5074 -114.588 43.9136 -139.51 2.20093 121.301 PRESSAVG: 3354600 11.4551 -39.7078 11.3735 -39.7078 12.0212 79.9681 11.3734 79.9682 9.34611 GPRESSAVG: 3354600 12.3487 -39.8728 12.9853 -40.1865 11.2164 79.3872 12.1641 80.736 9.26018 TIMING: 3354600 CPU: 9988.45, 0.00295377/step Wall: 9988.45, 0.00295377/step, 1.35003 hours remaining, 208.605469 MB of memory in use. ENERGY: 3354600 749.5536 2029.2999 1944.9381 110.1427 -206339.0884 17893.6706 0.0000 0.0000 34127.2370 -149484.2465 298.0416 -183611.4835 -149388.7690 298.4950 -33.7857 4.3880 557675.9448 10.9408 10.9418 PRESSURE: 3354800 -26.8013 -33.3312 103.563 -33.3305 86.2313 134.752 103.562 134.753 124.586 GPRESSURE: 3354800 -46.5833 -102.999 29.5001 -15.6041 165.793 114.539 149.857 122.58 156.47 PRESSAVG: 3354800 42.588 25.3302 48.9981 25.3301 14.8455 34.2675 48.9982 34.2675 -38.8913 GPRESSAVG: 3354800 41.615 25.4294 46.7615 26.4105 15.2223 32.194 49.1892 36.3715 -38.3603 TIMING: 3354800 CPU: 9989.04, 0.00293694/step Wall: 9989.04, 0.00293694/step, 1.34218 hours remaining, 208.605469 MB of memory in use. ENERGY: 3354800 726.0066 2042.5192 1953.6271 108.9575 -206638.4549 18047.3870 0.0000 0.0000 34358.6543 -149401.3032 300.0627 -183759.9575 -149303.2111 298.8186 61.3387 91.8934 558121.7144 6.1807 6.1590 PRESSURE: 3355000 66.2494 -35.8056 219.858 -35.8063 -137.274 -27.2846 219.858 -27.2851 -77.1563 GPRESSURE: 3355000 71.2246 -9.01633 260.773 -120.787 -80.1006 -18.651 248.653 -86.4755 -35.7836 PRESSAVG: 3355000 -26.1205 -1.7445 6.65181 -1.7445 -30.6647 -9.24048 6.65173 -9.2404 48.3048 GPRESSAVG: 3355000 -25.4244 1.55568 4.86702 -5.12437 -31.5687 -8.11199 8.37772 -7.81419 48.5064 TIMING: 3355000 CPU: 9989.63, 0.00292704/step Wall: 9989.63, 0.00292704/step, 1.33749 hours remaining, 208.605469 MB of memory in use. ENERGY: 3355000 739.6609 2094.6928 1934.4461 106.8371 -206565.4944 17885.3561 0.0000 0.0000 34259.0450 -149545.4563 299.1928 -183804.5013 -149453.1699 298.2355 -49.3937 -14.8865 558582.9389 -2.8268 -2.8289 PRESSURE: 3355200 -168.926 -28.6908 80.4329 -28.69 -315.134 -10.805 80.4321 -10.805 46.0736 GPRESSURE: 3355200 -123.215 17.4261 52.3769 -18.6174 -253.68 -12.6406 20.659 20.2581 28.3901 PRESSAVG: 3355200 6.60739 27.1853 12.1531 27.1853 -44.1885 -9.53138 12.1532 -9.53132 57.8868 GPRESSAVG: 3355200 6.00728 26.6105 15.1561 30.3207 -42.4336 -11.2586 8.83046 -10.6932 56.8878 TIMING: 3355200 CPU: 9990.21, 0.00293454/step Wall: 9990.21, 0.00293454/step, 1.34076 hours remaining, 208.605469 MB of memory in use. ENERGY: 3355200 724.5210 2092.5924 1945.9756 111.4287 -205917.3536 17452.2389 0.0000 0.0000 34034.4981 -149556.0989 297.2317 -183590.5970 -149464.6741 298.4376 -145.9955 -116.1681 556924.3008 6.7685 6.8205 PRESSURE: 3355400 -79.9595 37.2331 123.304 37.233 -52.0079 23.3995 123.304 23.3996 -14.8506 GPRESSURE: 3355400 -41.2659 9.4262 93.8653 64.2862 -37.2083 -0.569331 123.353 86.8191 25.2653 PRESSAVG: 3355400 48.2991 35.096 57.5211 35.096 -56.4644 8.71869 57.5212 8.71853 7.66616 GPRESSAVG: 3355400 48.5531 34.4899 57.1469 32.4335 -58.181 9.24791 58.6923 7.41273 8.79653 TIMING: 3355400 CPU: 9990.81, 0.00298738/step Wall: 9990.81, 0.00298738/step, 1.36473 hours remaining, 208.605469 MB of memory in use. ENERGY: 3355400 777.7006 2100.3688 1942.7008 125.8360 -206221.4755 17725.2973 0.0000 0.0000 34108.6630 -149440.9090 297.8794 -183549.5720 -149347.6215 297.8350 -48.9393 -17.7363 556669.2220 -0.1664 -0.2771 PRESSURE: 3355600 18.9052 32.3126 150.912 32.3122 130.715 -213.17 150.911 -213.17 -113.341 GPRESSURE: 3355600 34.9667 -16.6841 105.694 -10.3764 190.606 -192.764 147.139 -145.911 -86.0025 PRESSAVG: 3355600 19.7471 10.7213 59.6803 10.7212 1.89654 5.84837 59.6803 5.84841 -39.6913 GPRESSAVG: 3355600 19.5314 11.8956 58.1484 10.9873 1.18526 8.8575 58.9342 4.31329 -38.722 TIMING: 3355600 CPU: 9991.41, 0.00297973/step Wall: 9991.41, 0.00297973/step, 1.36108 hours remaining, 208.605469 MB of memory in use. ENERGY: 3355600 713.1264 2103.6354 1950.9537 126.4348 -206080.8774 17755.3941 0.0000 0.0000 34056.2118 -149375.1212 297.4214 -183431.3330 -149287.0001 298.7306 12.0930 46.5234 557635.6301 -6.0159 -6.0018 PRESSURE: 3355800 -112.158 55.4586 -31.7101 55.4588 38.5032 158.502 -31.7114 158.503 -133.442 GPRESSURE: 3355800 -65.2636 21.0602 -64.7525 46.8173 42.9638 156.431 -41.1352 18.7092 -80.7513 PRESSAVG: 3355800 0.297158 9.34518 -5.99826 9.34521 -7.2073 -12.1982 -5.99819 -12.1982 13.3946 GPRESSAVG: 3355800 1.16091 7.30622 -6.07852 11.3245 -7.36156 -15.8727 -5.77093 -10.3334 12.7629 TIMING: 3355800 CPU: 9992, 0.00295858/step Wall: 9992, 0.00295858/step, 1.35125 hours remaining, 208.605469 MB of memory in use. ENERGY: 3355800 704.6909 2090.6982 1945.3782 95.3932 -206386.5217 17771.2525 0.0000 0.0000 34362.1507 -149416.9581 300.0932 -183779.1088 -149326.3626 298.5531 -69.0323 -34.3504 556274.7071 2.1615 2.1874 PRESSURE: 3356000 15.5287 -16.9636 -39.0054 -16.9636 -12.4513 39.3068 -39.0057 39.3076 -68.7689 GPRESSURE: 3356000 52.2133 -2.13584 -13.2988 8.47747 12.8981 44.2992 -68.5663 125.425 -32.5778 PRESSAVG: 3356000 59.1231 83.6235 -37.0503 83.6235 -17.2238 0.0385448 -37.0503 0.0385807 -25.9727 GPRESSAVG: 3356000 58.3522 83.3291 -36.3456 83.0928 -16.3808 1.35979 -36.7297 0.29012 -26.147 TIMING: 3356000 CPU: 9992.59, 0.00294491/step Wall: 9992.59, 0.00294491/step, 1.34484 hours remaining, 208.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3356000 752.5332 2107.7371 1928.2528 121.0061 -206369.7679 17815.9512 0.0000 0.0000 34186.8915 -149457.3961 298.5626 -183644.2876 -149363.6804 299.0756 -21.8972 10.8445 556450.2686 5.3089 5.2748 PRESSURE: 3356200 -49.6435 -23.4895 -96.7149 -23.4894 148.709 -6.52845 -96.7155 -6.52654 -2.02236 GPRESSURE: 3356200 -22.4414 30.3458 15.7644 -52.9719 195.446 -23.7956 -163.634 5.83514 6.87715 PRESSAVG: 3356200 69.8633 19.7461 -21.7905 19.746 -69.0423 -17.7543 -21.7904 -17.7543 28.7308 GPRESSAVG: 3356200 70.71 19.6783 -22.4848 20.1879 -68.7719 -16.6793 -21.6265 -18.6984 27.1949 TIMING: 3356200 CPU: 9993.18, 0.00296717/step Wall: 9993.18, 0.00296717/step, 1.35484 hours remaining, 208.605469 MB of memory in use. ENERGY: 3356200 731.2100 2108.9066 1922.9768 115.6954 -206420.7261 17869.8213 0.0000 0.0000 34257.2891 -149414.8270 299.1774 -183672.1161 -149320.9951 299.0298 32.3478 59.9605 556950.7864 9.8506 9.7110 LDB: ============= START OF LOAD BALANCING ============== 9996.73 LDB: ============== END OF LOAD BALANCING =============== 9996.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9996.73 LDB: ============= START OF LOAD BALANCING ============== 9997.03 LDB: Largest compute 4772 load 0.027306 is 23.1% of average load 0.118248 LDB: Average compute 0.001721 is 1.5% of average load 0.118248 LDB: TIME 9997.03 LOAD: AVG 0.118248 MAX 0.198007 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.957 MB LDB: TIME 9997.03 LOAD: AVG 0.118248 MAX 0.198007 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.957 MB LDB: TIME 9997.03 LOAD: AVG 0.118248 MAX 0.198007 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.957 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9997.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9997.04 PRESSURE: 3356400 -273.213 -91.1903 103.788 -91.1907 17.6501 21.8316 103.789 21.8302 -167.201 GPRESSURE: 3356400 -255.958 -23.8826 94.5346 -152.349 46.1249 108.425 31.7872 -57.0461 -105.723 PRESSAVG: 3356400 -17.4296 -26.7349 41.1291 -26.7347 38.0651 19.3772 41.1291 19.3772 -5.5446 GPRESSAVG: 3356400 -17.5541 -27.4309 41.3058 -25.6671 35.8668 17.4263 42.2427 21.4565 -3.68376 TIMING: 3356400 CPU: 9993.79, 0.00303681/step Wall: 9993.79, 0.00303681/step, 1.38647 hours remaining, 206.738281 MB of memory in use. ENERGY: 3356400 739.6564 2046.9904 1930.3661 101.5801 -206154.1886 17756.9505 0.0000 0.0000 34182.5899 -149396.0552 298.5251 -183578.6451 -149301.3299 298.2461 -140.9211 -105.1853 557539.1350 5.0303 4.8763 PRESSURE: 3356600 -76.1476 85.1594 -34.7711 85.1588 13.9983 77.1367 -34.7711 77.1372 -28.3601 GPRESSURE: 3356600 -21.1306 6.83005 -84.5828 87.8722 75.3841 82.5711 86.826 85.034 -50.6239 PRESSAVG: 3356600 -40.3878 -5.40693 66.4363 -5.40693 -43.8255 -33.1031 66.4363 -33.103 38.5711 GPRESSAVG: 3356600 -41.2445 -5.00546 65.7223 -4.74465 -41.4774 -30.3814 64.8798 -36.0663 37.7853 TIMING: 3356600 CPU: 9994.38, 0.0029518/step Wall: 9994.38, 0.0029518/step, 1.3475 hours remaining, 206.738281 MB of memory in use. ENERGY: 3356600 719.5023 1991.1953 1928.7343 111.0853 -206048.3198 17616.2778 0.0000 0.0000 34208.0332 -149473.4915 298.7473 -183681.5247 -149372.7355 298.5555 -30.1698 1.2098 557030.7474 -15.2141 -14.9789 PRESSURE: 3356800 225.338 34.9529 114.068 34.9528 -14.5098 0.361755 114.068 0.362842 -110.315 GPRESSURE: 3356800 254.505 42.8313 61.9628 62.9816 -23.9134 4.98581 126.88 66.5204 -41.1618 PRESSAVG: 3356800 49.8227 -26.4239 6.3023 -26.424 -3.83952 -13.2441 6.30231 -13.244 -57.9278 GPRESSAVG: 3356800 49.4733 -25.5132 6.65516 -29.3732 -4.51919 -14.7549 6.46473 -12.0621 -57.3244 TIMING: 3356800 CPU: 9994.97, 0.0029668/step Wall: 9994.97, 0.0029668/step, 1.35418 hours remaining, 206.738281 MB of memory in use. ENERGY: 3356800 717.5857 2057.6770 1930.9259 102.7324 -206185.2044 17727.8984 0.0000 0.0000 34265.4930 -149382.8920 299.2491 -183648.3850 -149286.6064 298.4861 33.5045 63.1434 555538.8239 -3.9815 -4.1234 PRESSURE: 3357000 -341.881 -48.7716 -50.8968 -48.7704 -183.784 -23.227 -50.8963 -23.226 -134.068 GPRESSURE: 3357000 -309.088 -107.851 -47.4604 -75.2925 -203.914 30.3596 -87.2843 -45.4368 -43.6347 PRESSAVG: 3357000 -16.3521 27.9376 -22.9184 27.9376 41.8344 -9.01999 -22.9184 -9.02002 -68.4255 GPRESSAVG: 3357000 -15.881 27.3922 -21.7345 30.0146 41.2614 -6.76903 -24.8166 -7.62119 -68.1558 TIMING: 3357000 CPU: 9995.56, 0.00296776/step Wall: 9995.56, 0.00296776/step, 1.35445 hours remaining, 206.738281 MB of memory in use. ENERGY: 3357000 745.4052 2070.7965 1982.2092 109.8599 -206183.2842 17561.9008 0.0000 0.0000 34310.7369 -149402.3756 299.6442 -183713.1125 -149304.7404 299.1647 -219.9109 -185.5458 557317.4743 -14.3144 -14.2585 PRESSURE: 3357200 1.2329 27.0219 -69.9238 27.0219 -157.248 -83.6103 -69.9241 -83.609 -378.281 GPRESSURE: 3357200 10.9799 98.8114 -127.761 -27.2057 -181.452 -91.3116 25.8878 -51.1193 -257.989 PRESSAVG: 3357200 57.6947 -59.5628 16.8353 -59.5628 -8.77428 -20.6354 16.8353 -20.6353 14.0445 GPRESSAVG: 3357200 58.1027 -56.9716 16.5003 -62.416 -8.74989 -22.8651 19.2853 -21.1884 13.149 TIMING: 3357200 CPU: 9996.16, 0.00295168/step Wall: 9996.16, 0.00295168/step, 1.34695 hours remaining, 206.738281 MB of memory in use. ENERGY: 3357200 750.1638 2046.4185 1926.8456 107.2267 -205834.0230 17651.3724 0.0000 0.0000 33996.6630 -149355.3331 296.9013 -183351.9960 -149258.2678 298.3128 -178.0986 -142.8201 558472.7998 20.9883 20.8340 PRESSURE: 3357400 195.814 -93.6395 -6.62177 -93.6385 160.902 -12.1269 -6.62343 -12.1275 -119.477 GPRESSURE: 3357400 209.628 -62.4439 5.78655 25.9694 207.466 14.6193 -17.039 21.0066 -82.362 PRESSAVG: 3357400 90.3734 19.3499 -6.96089 19.35 -4.05723 -17.9918 -6.96084 -17.9918 -37.8148 GPRESSAVG: 3357400 90.2301 16.6561 -8.1448 22.5788 -3.05706 -17.359 -7.91599 -17.6172 -38.8485 TIMING: 3357400 CPU: 9996.75, 0.00295052/step Wall: 9996.75, 0.00295052/step, 1.34626 hours remaining, 206.738281 MB of memory in use. ENERGY: 3357400 762.9476 2049.8274 1922.3961 106.9280 -206484.1093 17878.8014 0.0000 0.0000 34209.3364 -149553.8725 298.7586 -183763.2089 -149452.2522 298.8560 79.0796 111.5773 555573.2718 16.1671 16.1082 PRESSURE: 3357600 34.5712 -105.149 -115.21 -105.149 227.075 85.8616 -115.21 85.8632 -119.973 GPRESSURE: 3357600 107.24 -86.6592 -78.4617 -84.8801 216.228 89.6483 -135.569 129.714 -88.6689 PRESSAVG: 3357600 6.22333 33.8669 19.3136 33.8669 38.8515 5.47267 19.3135 5.47282 -34.1377 GPRESSAVG: 3357600 5.30277 35.4635 18.9341 33.3437 38.1241 6.3998 19.0143 3.80247 -32.4976 TIMING: 3357600 CPU: 9997.33, 0.00294536/step Wall: 9997.33, 0.00294536/step, 1.34374 hours remaining, 206.738281 MB of memory in use. ENERGY: 3357600 733.8659 2058.7646 1959.6469 114.8028 -206664.6608 18031.7456 0.0000 0.0000 34289.4390 -149476.3960 299.4582 -183765.8351 -149383.1372 299.0382 47.2244 78.2664 556742.2104 3.6457 3.6431 PRESSURE: 3357800 151.124 -40.7822 -56.1274 -40.7838 101.022 227.204 -56.1269 227.204 -18.8707 GPRESSURE: 3357800 112.354 2.04417 -36.3993 -24.9919 152.898 283.136 -58.0885 270.081 71.6378 PRESSAVG: 3357800 -5.00501 11.3586 -14.2687 11.3586 3.74102 -2.09492 -14.2687 -2.09483 -29.4694 GPRESSAVG: 3357800 -3.72835 10.6122 -13.0528 10.9154 3.33145 -0.727284 -12.8002 -0.0690365 -29.632 TIMING: 3357800 CPU: 9997.92, 0.00292787/step Wall: 9997.92, 0.00292787/step, 1.33559 hours remaining, 206.738281 MB of memory in use. ENERGY: 3357800 765.7195 2083.9437 1912.3381 126.4892 -206661.7224 18021.0936 0.0000 0.0000 34288.5572 -149463.5810 299.4505 -183752.1382 -149370.0065 298.5396 77.7583 112.2965 556583.9064 -10.2445 -10.0096 PRESSURE: 3358000 -65.02 20.7467 -163.007 20.7452 -218.385 20.4817 -163.007 20.4828 -36.6445 GPRESSURE: 3358000 -39.2238 18.6284 -152.86 -19.8746 -184.519 -32.6158 -182.729 42.2297 -6.11223 PRESSAVG: 3358000 -4.86485 40.932 -26.4508 40.932 -42.5551 1.85132 -26.4508 1.85136 40.5504 GPRESSAVG: 3358000 -4.82809 41.1876 -24.9121 39.6637 -41.6212 -1.2516 -28.2836 2.13629 39.5402 TIMING: 3358000 CPU: 9998.51, 0.0029444/step Wall: 9998.51, 0.0029444/step, 1.34297 hours remaining, 206.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3358000 767.1576 2050.4486 1937.9171 127.2460 -206266.3767 17750.2594 0.0000 0.0000 33947.9906 -149685.3574 296.4762 -183633.3480 -149581.6833 298.0591 -106.6833 -76.6185 557207.7616 -2.2898 -2.3030 PRESSURE: 3358200 9.24902 20.7415 61.535 20.7422 -101.753 143.724 61.5367 143.725 -142.429 GPRESSURE: 3358200 101.611 71.5723 50.3146 -42.7998 -108.438 231.7 -25.1949 162.931 -122.747 PRESSAVG: 3358200 -5.38664 -24.1802 -70.1667 -24.1802 23.7884 -29.8184 -70.1668 -29.8183 -4.20249 GPRESSAVG: 3358200 -6.59967 -25.287 -71.0095 -23.3119 24.2169 -28.7173 -69.0971 -29.4877 -4.18375 TIMING: 3358200 CPU: 9999.11, 0.00299403/step Wall: 9999.11, 0.00299403/step, 1.36544 hours remaining, 206.738281 MB of memory in use. ENERGY: 3358200 747.4343 2025.8232 1932.0765 102.6829 -206775.2685 17784.8265 0.0000 0.0000 34240.2258 -149942.1993 299.0284 -184182.4251 -149846.8166 297.7689 -78.3112 -43.1913 554972.3204 4.7331 4.4778 PRESSURE: 3358400 -226.117 22.2547 97.1185 22.2559 47.4899 -29.9181 97.1188 -29.9197 7.06548 GPRESSURE: 3358400 -181.213 76.8536 169.307 -38.4897 77.9834 -54.5934 58.6294 -21.4198 25.0291 PRESSAVG: 3358400 27.7151 4.46432 -45.1428 4.46433 -2.04223 11.5246 -45.1429 11.5245 -14.0711 GPRESSAVG: 3358400 29.0547 6.4008 -45.3761 4.70553 -2.93714 12.7921 -44.6329 9.81371 -14.2594 TIMING: 3358400 CPU: 9999.7, 0.00298071/step Wall: 9999.7, 0.00298071/step, 1.3592 hours remaining, 206.738281 MB of memory in use. ENERGY: 3358400 751.2372 2146.9933 1913.1111 118.1624 -206462.3150 17690.8054 0.0000 0.0000 34041.4243 -149800.5813 297.2922 -183842.0056 -149707.7684 298.0602 -57.1872 -26.0670 555927.2747 3.8672 3.9527 PRESSURE: 3358600 -216.264 86.5421 -53.3526 86.5413 -204.135 -31.3725 -53.3545 -31.3711 -65.6998 GPRESSURE: 3358600 -205.453 9.33927 -25.6527 184.297 -150.02 -28.1918 -146.397 32.2974 -33.3101 PRESSAVG: 3358600 -100.693 2.05826 -43.6704 2.0582 66.145 54.9339 -43.6705 54.9339 4.26932 GPRESSAVG: 3358600 -102.09 -0.972385 -44.774 2.46748 65.9955 54.6364 -42.8357 56.1947 5.67418 TIMING: 3358600 CPU: 10000.3, 0.00293808/step Wall: 10000.3, 0.00293808/step, 1.3396 hours remaining, 206.738281 MB of memory in use. ENERGY: 3358600 748.7453 2044.9531 1919.8847 110.8746 -206421.2213 17707.9958 0.0000 0.0000 34194.9499 -149693.8178 298.6330 -183888.7677 -149601.2234 298.2858 -162.0328 -129.5944 556140.7691 -10.0928 -10.1402 PRESSURE: 3358800 -90.6298 17.6621 18.0105 17.6613 72.9566 -46.8945 18.0108 -46.8965 103.763 GPRESSURE: 3358800 -41.3183 -65.7234 37.4132 52.2986 145.036 -76.7354 7.18888 35.2829 74.6949 PRESSAVG: 3358800 -43.3597 68.9945 -27.4712 68.9944 30.5251 41.4749 -27.4713 41.475 6.60733 GPRESSAVG: 3358800 -42.1107 70.2596 -27.6158 69.1333 29.8243 41.7275 -26.7385 40.2312 6.23242 TIMING: 3358800 CPU: 10000.9, 0.00293265/step Wall: 10000.9, 0.00293265/step, 1.33696 hours remaining, 206.738281 MB of memory in use. ENERGY: 3358800 760.3189 2073.1278 1952.2366 112.6128 -206679.3574 18001.7975 0.0000 0.0000 34292.1486 -149487.1153 299.4819 -183779.2639 -149390.0288 298.0279 28.6967 59.4710 557166.8987 -2.0758 -2.0180 PRESSURE: 3359000 -90.5353 30.7951 -66.8 30.7944 -385.697 152.129 -66.7995 152.127 -58.3236 GPRESSURE: 3359000 -71.6361 -6.32594 -38.8625 46.2458 -413.725 113.436 1.87401 268.888 44.7125 PRESSAVG: 3359000 -40.2039 32.1545 -40.25 32.1547 -3.62776 11.6065 -40.25 11.6064 60.1347 GPRESSAVG: 3359000 -40.5007 31.318 -38.008 30.5551 -2.51043 14.6548 -42.438 9.89265 58.7958 TIMING: 3359000 CPU: 10001.5, 0.00293249/step Wall: 10001.5, 0.00293249/step, 1.33672 hours remaining, 206.738281 MB of memory in use. ENERGY: 3359000 716.5703 2053.6002 1930.0884 111.4070 -206011.6108 17650.9288 0.0000 0.0000 33957.4772 -149591.5389 296.5591 -183549.0161 -149496.0600 297.6193 -178.1853 -146.8829 557862.8566 5.4343 5.2616 PRESSURE: 3359200 -57.5749 224.214 85.2921 224.213 121.166 7.20697 85.2931 7.20748 40.498 GPRESSURE: 3359200 -68.495 273.12 189.565 220.428 178.714 -40.5662 17.3896 -30.5556 94.7139 PRESSAVG: 3359200 53.0241 11.3333 6.87219 11.3333 -68.8744 16.9736 6.8722 16.9736 5.51672 GPRESSAVG: 3359200 52.1994 12.3334 5.01252 10.6336 -69.6455 12.8092 7.07295 17.5299 6.95288 TIMING: 3359200 CPU: 10002.1, 0.0029474/step Wall: 10002.1, 0.0029474/step, 1.34336 hours remaining, 206.738281 MB of memory in use. ENERGY: 3359200 728.3694 2044.8385 1941.5424 104.9090 -206244.1281 17707.3828 0.0000 0.0000 34077.7181 -149639.3679 297.6092 -183717.0861 -149540.5632 297.8901 34.6965 68.3110 556485.7683 -3.4445 -3.4977 PRESSURE: 3359400 114.014 -115.42 -216.346 -115.42 37.8635 44.2565 -216.347 44.2565 245.512 GPRESSURE: 3359400 125.663 -78.8041 -257.788 -133.888 105.792 122.03 -167.847 28.0631 268.168 PRESSAVG: 3359400 -30.7485 11.1224 10.6194 11.1224 22.5878 -31.4312 10.6194 -31.4312 -0.862658 GPRESSAVG: 3359400 -30.939 14.9959 11.8841 11.0015 22.6087 -30.9677 10.1289 -30.435 -0.786026 TIMING: 3359400 CPU: 10002.6, 0.00293672/step Wall: 10002.6, 0.00293672/step, 1.33833 hours remaining, 206.738281 MB of memory in use. ENERGY: 3359400 752.3254 2065.8191 1927.2159 113.2709 -206440.9816 17971.5300 0.0000 0.0000 33966.3265 -149644.4939 296.6364 -183610.8204 -149550.3329 297.9681 132.4633 166.5410 554876.2804 -3.0078 -3.0388 PRESSURE: 3359600 -38.9273 37.6164 -122.101 37.6157 -370.601 -64.2697 -122.101 -64.2695 93.7255 GPRESSURE: 3359600 2.01464 -21.2596 -98.7113 105.3 -308.923 -44.0602 -74.632 -86.7352 85.7652 PRESSAVG: 3359600 -15.2725 5.05518 -15.2001 5.05521 -10.945 -25.2811 -15.2001 -25.2812 20.6145 GPRESSAVG: 3359600 -15.0248 0.696432 -15.3214 5.83546 -11.3427 -24.9644 -15.7813 -26.0058 20.7995 TIMING: 3359600 CPU: 10003.2, 0.00295603/step Wall: 10003.2, 0.00295603/step, 1.34697 hours remaining, 206.738281 MB of memory in use. ENERGY: 3359600 773.9073 2017.6099 1929.4212 129.7142 -206373.2630 17755.2327 0.0000 0.0000 34131.5131 -149635.8646 298.0790 -183767.3776 -149528.0223 298.0348 -105.2677 -73.7144 557543.5262 -1.8677 -1.8560 PRESSURE: 3359800 -179.89 74.6088 -43.4605 74.6085 -194.842 -161.814 -43.4611 -161.814 -240.674 GPRESSURE: 3359800 -158.286 71.3104 -109.56 106.986 -139.872 -111.217 -29.1267 -229.451 -219.511 PRESSAVG: 3359800 67.8728 37.1424 -9.56103 37.1424 -5.25618 -20.2935 -9.56112 -20.2934 -33.3785 GPRESSAVG: 3359800 68.3279 41.7005 -11.4555 36.3725 -4.47352 -20.1031 -7.866 -19.0268 -34.4751 TIMING: 3359800 CPU: 10003.8, 0.0029507/step Wall: 10003.8, 0.0029507/step, 1.34437 hours remaining, 206.738281 MB of memory in use. ENERGY: 3359800 763.9004 2124.6134 1921.0158 111.1344 -205908.6309 17493.7943 0.0000 0.0000 33868.9310 -149625.2416 295.7858 -183494.1726 -149529.8185 298.7325 -205.1354 -172.5563 557835.3500 9.7460 9.7931 PRESSURE: 3360000 163.507 35.8348 -113.566 35.8357 -192.77 98.258 -113.566 98.2574 -133.98 GPRESSURE: 3360000 207.783 68.9922 -89.5215 66.5426 -241.217 71.1795 -78.3635 160.071 -36.5803 PRESSAVG: 3360000 -28.4153 -12.0376 5.66222 -12.0376 -42.7667 -14.3455 5.66209 -14.3456 58.3323 GPRESSAVG: 3360000 -28.5253 -14.513 6.34275 -11.1587 -43.9882 -14.941 4.64485 -14.1113 59.4217 TIMING: 3360000 CPU: 10004.4, 0.00294002/step Wall: 10004.4, 0.00294002/step, 1.33934 hours remaining, 206.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3360000 747.9127 2105.2717 1910.3071 108.7874 -206152.9569 17734.5264 0.0000 0.0000 34066.4980 -149479.6537 297.5112 -183546.1517 -149384.8889 298.5777 -54.4142 -23.3382 556835.6173 -4.2832 -4.3639 PRESSURE: 3360200 -128.486 51.0774 -143.412 51.0773 -80.4022 20.5176 -143.41 20.5172 122.608 GPRESSURE: 3360200 -79.6872 29.7757 -164.938 -66.9327 -27.0867 -9.6808 -126.857 51.8013 118.638 PRESSAVG: 3360200 14.3 28.4812 -66.8593 28.4812 -36.3993 -11.2758 -66.8594 -11.2756 45.3399 GPRESSAVG: 3360200 14.111 27.324 -66.9892 25.7795 -35.98 -10.1731 -66.8317 -12.3819 45.1463 TIMING: 3360200 CPU: 10005, 0.00293758/step Wall: 10005, 0.00293758/step, 1.33807 hours remaining, 206.738281 MB of memory in use. ENERGY: 3360200 755.0241 2105.8025 1935.7997 122.2706 -206104.3921 17679.0055 0.0000 0.0000 34132.4289 -149374.0608 298.0870 -183506.4897 -149280.3866 298.9583 -28.7601 3.9548 555037.5632 7.7469 7.7591 LDB: ============= START OF LOAD BALANCING ============== 10008.5 LDB: ============== END OF LOAD BALANCING =============== 10008.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10008.5 LDB: ============= START OF LOAD BALANCING ============== 10008.8 LDB: Largest compute 4772 load 0.026042 is 22.0% of average load 0.118256 LDB: Average compute 0.001723 is 1.5% of average load 0.118256 LDB: TIME 10008.8 LOAD: AVG 0.118256 MAX 0.196532 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.02 MB LDB: TIME 10008.8 LOAD: AVG 0.118256 MAX 0.196532 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.02 MB LDB: TIME 10008.8 LOAD: AVG 0.118256 MAX 0.196532 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.02 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10008.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10008.8 PRESSURE: 3360400 230.026 -4.53664 56.6655 -4.53696 337.791 -3.61968 56.6659 -3.62219 99.5924 GPRESSURE: 3360400 279.578 -147.706 13.0129 -18.3551 357.039 -81.2979 50.057 -7.19689 123.253 PRESSAVG: 3360400 -11.9469 33.0005 30.8934 33.0006 15.9456 29.4397 30.8935 29.4397 21.6992 GPRESSAVG: 3360400 -11.7323 32.5146 31.0644 34.8261 15.7201 29.6394 30.1963 29.8171 21.9838 TIMING: 3360400 CPU: 10005.6, 0.00298991/step Wall: 10005.6, 0.00298991/step, 1.36174 hours remaining, 206.664062 MB of memory in use. ENERGY: 3360400 765.2806 2036.6242 1932.4796 114.6388 -206536.1470 18068.3401 0.0000 0.0000 34186.3667 -149432.4171 298.5580 -183618.7838 -149340.5611 298.8706 222.4697 253.2900 555096.7206 8.5660 8.6572 PRESSURE: 3360600 -23.1722 -77.5226 -138.64 -77.5241 -259.216 -67.5385 -138.64 -67.5373 68.6819 GPRESSURE: 3360600 34.4058 -71.8244 -100.293 -35.7101 -273.125 -31.305 -192.499 -117.86 112.239 PRESSAVG: 3360600 35.0158 -0.195076 35.1783 -0.195113 -44.5096 17.8316 35.1783 17.8317 16.3824 GPRESSAVG: 3360600 35.5579 0.51242 36.177 3.55079 -44.8029 17.8902 35.3233 16.7952 16.1482 TIMING: 3360600 CPU: 10006.2, 0.00295609/step Wall: 10006.2, 0.00295609/step, 1.34617 hours remaining, 206.664062 MB of memory in use. ENERGY: 3360600 717.1784 2110.1466 1923.7672 122.7280 -206063.9442 17646.7816 0.0000 0.0000 34210.3874 -149332.9550 298.7678 -183543.3424 -149235.2679 299.1641 -71.2355 -42.1601 556494.9597 2.2962 2.3011 PRESSURE: 3360800 186.559 -142.943 29.8504 -142.941 95.3909 -182.412 29.8502 -182.411 187.201 GPRESSURE: 3360800 208.375 -83.1228 26.7756 -121.883 151.568 -110.632 -15.7488 -187.116 191.649 PRESSAVG: 3360800 22.7964 4.53727 12.0407 4.53731 -51.3506 -42.7481 12.0406 -42.7481 35.1705 GPRESSAVG: 3360800 22.635 4.91457 11.0943 2.0271 -50.5834 -43.5399 14.0843 -40.4597 34.3248 TIMING: 3360800 CPU: 10006.8, 0.00293982/step Wall: 10006.8, 0.00293982/step, 1.3386 hours remaining, 206.664062 MB of memory in use. ENERGY: 3360800 750.2272 2077.4847 1918.1931 126.5774 -206296.3712 17902.4676 0.0000 0.0000 34290.7838 -149230.6375 299.4699 -183521.4213 -149134.8735 299.2696 156.3838 183.8642 556287.0728 2.2054 2.1254 PRESSURE: 3361000 421.019 -50.5538 30.8626 -50.5531 -73.9792 186.729 30.8634 186.729 128.666 GPRESSURE: 3361000 415.879 -46.5006 -36.8198 -11.426 -28.9989 115.848 -49.1158 169.472 180.505 PRESSAVG: 3361000 14.5279 -5.01464 20.9973 -5.01455 -39.5371 30.1318 20.9973 30.1317 20.4151 GPRESSAVG: 3361000 14.4602 -5.574 20.8715 -3.47774 -38.9321 30.6309 18.2587 29.6497 20.4569 TIMING: 3361000 CPU: 10007.4, 0.00295136/step Wall: 10007.4, 0.00295136/step, 1.34369 hours remaining, 206.664062 MB of memory in use. ENERGY: 3361000 751.0361 2090.8673 1933.7097 107.9887 -206666.3928 18110.5792 0.0000 0.0000 34232.0917 -149440.1201 298.9574 -183672.2118 -149343.9649 298.8215 158.5685 189.1283 556198.0012 -1.5314 -1.3383 PRESSURE: 3361200 177.197 88.4053 -186.649 88.4052 83.5346 26.7386 -186.648 26.7382 97.0977 GPRESSURE: 3361200 203.223 29.8375 -150.421 105.64 113.806 -9.60281 -239.142 84.2902 139.587 PRESSAVG: 3361200 22.6007 14.7775 10.4453 14.7774 -25.0071 16.2168 10.4454 16.2167 -11.4466 GPRESSAVG: 3361200 21.9451 14.7834 11.6283 12.9906 -25.0315 14.6509 11.5466 15.129 -10.3007 TIMING: 3361200 CPU: 10008, 0.00292963/step Wall: 10008, 0.00292963/step, 1.33363 hours remaining, 206.664062 MB of memory in use. ENERGY: 3361200 709.5621 2113.1299 1939.4285 118.1511 -206441.8041 17946.7729 0.0000 0.0000 34475.6677 -149139.0919 301.0846 -183614.7596 -149040.8401 299.7203 119.2763 152.2051 556863.7606 -4.6177 -4.4624 PRESSURE: 3361400 -102.756 -86.654 93.5852 -86.6531 82.8945 -57.1314 93.5844 -57.1302 -179.037 GPRESSURE: 3361400 -37.5516 34.7698 74.5256 -93.9963 126.342 -58.1649 104.05 -91.7694 -188.243 PRESSAVG: 3361400 -6.66158 52.7131 -31.2933 52.7132 12.8925 -2.01775 -31.2932 -2.01777 -36.9096 GPRESSAVG: 3361400 -5.84018 52.877 -30.8505 51.8158 11.0212 1.66858 -31.9526 -2.67714 -36.1557 TIMING: 3361400 CPU: 10008.5, 0.00294733/step Wall: 10008.5, 0.00294733/step, 1.34152 hours remaining, 206.664062 MB of memory in use. ENERGY: 3361400 767.6077 2138.1905 1931.7824 132.4458 -206364.4114 17864.3731 0.0000 0.0000 34394.9939 -149135.0181 300.3800 -183530.0119 -149046.6949 299.7285 -66.2995 -33.1507 556828.8001 -10.2262 -10.3249 PRESSURE: 3361600 -253.044 99.8248 106.284 99.8231 202.737 47.733 106.283 47.7324 -82.9879 GPRESSURE: 3361600 -210.21 98.0267 79.953 152.142 182 74.6888 106.727 28.6051 -9.1218 PRESSAVG: 3361600 -18.3652 -17.0493 -18.2148 -17.0492 39.5944 -11.3006 -18.2147 -11.3006 -20.9992 GPRESSAVG: 3361600 -20.21 -16.5635 -18.7065 -15.6388 41.1332 -14.0633 -17.9926 -11.467 -20.6385 TIMING: 3361600 CPU: 10009.1, 0.00294669/step Wall: 10009.1, 0.00294669/step, 1.34107 hours remaining, 206.664062 MB of memory in use. ENERGY: 3361600 760.2395 2107.6069 1917.9380 125.7880 -206034.7298 17790.9045 0.0000 0.0000 34051.6703 -149280.5826 297.3817 -183332.2529 -149185.8109 299.6324 -44.4319 -12.4441 558215.6220 0.0767 0.0949 PRESSURE: 3361800 -214.931 -84.2076 133.519 -84.2085 -73.2292 17.8529 133.518 17.8543 -384.463 GPRESSURE: 3361800 -174.167 -171.087 242.536 -76.409 -28.655 41.9803 50.5229 81.4445 -375.54 PRESSAVG: 3361800 -4.26037 6.03693 48.8401 6.03685 65.8016 5.83694 48.8401 5.83696 -58.4185 GPRESSAVG: 3361800 -1.86422 5.85996 48.0085 5.7893 65.5018 6.94187 49.7512 6.84091 -60.5066 TIMING: 3361800 CPU: 10009.7, 0.00292448/step Wall: 10009.7, 0.00292448/step, 1.3308 hours remaining, 206.664062 MB of memory in use. ENERGY: 3361800 742.8344 2094.1014 1959.3694 123.3893 -205814.6626 17478.4132 0.0000 0.0000 34031.1816 -149385.3732 297.2028 -183416.5549 -149288.6589 298.6369 -224.2076 -192.7873 557519.4682 1.0409 1.0437 PRESSURE: 3362000 37.2963 34.9835 -44.711 34.9826 -76.2411 118.531 -44.7106 118.532 -58.8688 GPRESSURE: 3362000 -0.450993 138.78 -81.1293 -23.5797 14.476 200.827 -73.6788 116.823 -7.27484 PRESSAVG: 3362000 5.29437 -52.8276 -5.75083 -52.8277 24.7446 -4.12165 -5.75083 -4.12168 -16.0751 GPRESSAVG: 3362000 4.95608 -54.6225 -3.90357 -52.255 24.331 -4.80453 -6.45108 -3.45692 -15.3019 TIMING: 3362000 CPU: 10010.3, 0.00293331/step Wall: 10010.3, 0.00293331/step, 1.33466 hours remaining, 206.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3362000 735.6607 2073.5732 1943.1393 129.7629 -206588.8154 17917.0143 0.0000 0.0000 34217.4011 -149572.2639 298.8291 -183789.6650 -149479.2834 298.0572 -32.6045 2.2501 556229.8696 4.6546 4.6617 PRESSURE: 3362200 23.9081 -94.6261 60.139 -94.6271 -129.565 143.303 60.1386 143.303 46.1882 GPRESSURE: 3362200 23.7349 -95.8576 28.7619 -151.3 -42.5674 115.405 104.365 185.639 54.1075 PRESSAVG: 3362200 -28.3622 -5.2324 26.4777 -5.23245 16.5504 63.3047 26.4776 63.3046 -4.29655 GPRESSAVG: 3362200 -28.1721 -3.23064 25.7 -5.39547 16.354 62.9979 26.0244 62.4745 -4.88829 TIMING: 3362200 CPU: 10010.9, 0.00297219/step Wall: 10010.9, 0.00297219/step, 1.35218 hours remaining, 206.664062 MB of memory in use. ENERGY: 3362200 761.0469 2070.8026 1949.1947 117.1669 -206418.8379 17809.3673 0.0000 0.0000 34125.3995 -149585.8599 298.0256 -183711.2595 -149491.5489 298.2597 -19.8229 11.7583 555446.4163 -5.3694 -5.5688 PRESSURE: 3362400 -292.861 -80.5783 11.0049 -80.5777 -194.348 106.817 11.0056 106.818 -13.3906 GPRESSURE: 3362400 -235.813 -115.725 5.1077 -39.1441 -135.786 118.266 68.7554 63.1974 -35.447 PRESSAVG: 3362400 -36.0506 -15.5089 14.9928 -15.5089 5.85559 29.2387 14.9929 29.2388 50.048 GPRESSAVG: 3362400 -35.8728 -15.8732 13.7817 -16.0897 4.35193 29.4642 16.0874 30.4329 51.62 TIMING: 3362400 CPU: 10011.5, 0.00296452/step Wall: 10011.5, 0.00296452/step, 1.34853 hours remaining, 206.664062 MB of memory in use. ENERGY: 3362400 750.7717 2019.1036 1918.7972 111.9627 -206439.2368 17657.0857 0.0000 0.0000 34227.9301 -149753.5858 298.9210 -183981.5159 -149658.6072 297.8252 -166.8667 -135.6819 556987.4456 6.6177 6.6997 PRESSURE: 3362600 11.603 19.3711 -3.01812 19.3719 -210.189 -4.1447 -3.01741 -4.14288 -309.476 GPRESSURE: 3362600 66.9114 -42.5042 18.7237 17.1611 -121.138 -78.6936 43.9178 64.7941 -359.099 PRESSAVG: 3362600 8.24264 -29.4856 -13.7102 -29.4856 -47.47 -48.4019 -13.7103 -48.4019 27.4991 GPRESSAVG: 3362600 7.23148 -30.2018 -11.728 -29.2395 -46.2243 -48.3412 -14.0822 -48.5176 27.4851 TIMING: 3362600 CPU: 10012.1, 0.00297811/step Wall: 10012.1, 0.00297811/step, 1.35455 hours remaining, 206.664062 MB of memory in use. ENERGY: 3362600 770.9481 2105.0893 1914.2189 109.1114 -206259.1411 17560.2318 0.0000 0.0000 34163.8579 -149635.6837 298.3615 -183799.5416 -149540.4573 297.9261 -169.3540 -137.7752 556844.5743 -3.9094 -3.8359 PRESSURE: 3362800 -256.431 23.3468 8.19486 23.3474 -285.652 -176.328 8.19475 -176.327 -150.307 GPRESSURE: 3362800 -195.684 6.23239 -29.9767 14.4554 -249.012 -201.471 -7.33721 -100.642 -149.051 PRESSAVG: 3362800 17.1471 -25.7447 -4.04527 -25.7447 82.8266 9.09096 -4.04532 9.09095 -76.9893 GPRESSAVG: 3362800 17.3224 -27.044 -4.50241 -22.4837 83.837 11.6953 -6.87941 7.58672 -77.9876 TIMING: 3362800 CPU: 10012.7, 0.00292108/step Wall: 10012.7, 0.00292108/step, 1.32844 hours remaining, 206.664062 MB of memory in use. ENERGY: 3362800 772.4637 2100.5208 1952.2593 121.4631 -206378.8636 17562.9561 0.0000 0.0000 34453.9288 -149415.2720 300.8947 -183869.2008 -149323.4747 299.0773 -230.7968 -197.9157 556715.2358 7.6614 7.7239 PRESSURE: 3363000 -44.8026 -36.2624 -127.913 -36.2621 -149.569 -213.312 -127.914 -213.313 -149.281 GPRESSURE: 3363000 -5.8811 -113.207 -115.484 -20.7487 -180.496 -242.954 -113.231 -237.426 -59.2637 PRESSAVG: 3363000 -27.6651 -7.72895 -43.7638 -7.72893 14.0759 -52.7561 -43.7639 -52.7562 3.20931 GPRESSAVG: 3363000 -28.1665 -6.917 -45.1539 -10.0447 13.2305 -54.4381 -40.0931 -50.6466 4.80687 TIMING: 3363000 CPU: 10013.3, 0.00294573/step Wall: 10013.3, 0.00294573/step, 1.33949 hours remaining, 206.664062 MB of memory in use. ENERGY: 3363000 780.0665 2106.0866 1936.2684 118.1267 -206407.8662 17745.7084 0.0000 0.0000 34294.3497 -149427.2598 299.5011 -183721.6095 -149328.3612 299.0128 -114.5509 -81.8804 556621.1761 -3.4599 -3.3764 PRESSURE: 3363200 122.019 -102.014 -33.8433 -102.013 173.856 -69.1125 -33.8443 -69.1114 256.939 GPRESSURE: 3363200 134.651 -72.0883 -41.9979 -61.0912 236.896 -80.2024 -35.3622 -95.4194 272.116 PRESSAVG: 3363200 -18.174 36.7952 25.9486 36.7952 -32.945 12.9299 25.9486 12.9299 -12.7389 GPRESSAVG: 3363200 -17.2992 37.9348 28.9087 36.0478 -33.4312 14.28 24.1102 11.3212 -13.2487 TIMING: 3363200 CPU: 10013.8, 0.00292612/step Wall: 10013.8, 0.00292612/step, 1.33041 hours remaining, 206.664062 MB of memory in use. ENERGY: 3363200 734.8786 2088.9690 1920.1339 117.0837 -206710.1548 18089.4279 0.0000 0.0000 34273.1183 -149486.5434 299.3157 -183759.6617 -149390.7421 299.2930 184.2715 214.5542 556110.6941 -21.2860 -21.3264 PRESSURE: 3363400 -209.772 -33.7563 -59.8277 -33.7556 -16.7978 -162.535 -59.8269 -162.535 -290.886 GPRESSURE: 3363400 -168.526 27.8049 -43.2589 -56.6117 -7.38248 -160.298 -143.418 -168.963 -241.912 PRESSAVG: 3363400 -20.7979 -12.5268 -63.5787 -12.5269 -4.75342 -39.0789 -63.5787 -39.0789 0.506581 GPRESSAVG: 3363400 -19.9104 -14.26 -64.1417 -11.3429 -4.46072 -40.0774 -64.0367 -39.5321 -0.129402 TIMING: 3363400 CPU: 10014.4, 0.00293469/step Wall: 10014.4, 0.00293469/step, 1.33414 hours remaining, 206.664062 MB of memory in use. ENERGY: 3363400 738.7146 2067.9516 1920.2485 105.9604 -205825.8996 17364.3319 0.0000 0.0000 34074.0090 -149554.6835 297.5768 -183628.6925 -149460.5358 298.1638 -172.4850 -139.2736 556544.9552 -8.3482 -8.1668 PRESSURE: 3363600 106.337 58.3936 43.0126 58.3928 -119.066 66.7698 43.012 66.7691 -128.236 GPRESSURE: 3363600 164.891 -20.4123 -26.6275 132.494 -97.2779 152.322 83.2168 -12.2616 -109.061 PRESSAVG: 3363600 16.6725 3.38235 18.0489 3.38238 12.0012 -44.817 18.0488 -44.8171 -10.5772 GPRESSAVG: 3363600 15.2948 4.25853 18.5992 2.44221 12.647 -44.8316 17.8572 -45.0573 -9.87052 TIMING: 3363600 CPU: 10015, 0.00293041/step Wall: 10015, 0.00293041/step, 1.33203 hours remaining, 206.664062 MB of memory in use. ENERGY: 3363600 703.5788 2041.6312 1939.6020 118.9522 -206013.6106 17688.9660 0.0000 0.0000 34137.3113 -149383.5693 298.1296 -183520.8805 -149288.6467 298.7219 -46.9882 -13.8158 555859.9833 6.0322 6.0237 PRESSURE: 3363800 -250.897 83.8677 -178.798 83.867 -105.27 152.811 -178.799 152.811 -42.0495 GPRESSURE: 3363800 -252.319 56.2653 -121.924 90.7095 -31.1896 182.181 -126.794 147.577 -22.8566 PRESSAVG: 3363800 -85.0109 45.1232 35.4143 45.1232 28.7243 0.843221 35.4143 0.843192 60.9149 GPRESSAVG: 3363800 -84.9334 46.7863 34.2815 46.9304 28.4503 2.5826 36.8318 1.29087 61.0079 TIMING: 3363800 CPU: 10015.6, 0.00292223/step Wall: 10015.6, 0.00292223/step, 1.32815 hours remaining, 206.664062 MB of memory in use. ENERGY: 3363800 749.1599 2072.7243 1936.5794 110.7909 -205822.3086 17476.5468 0.0000 0.0000 34107.5379 -149368.9693 297.8696 -183476.5071 -149271.4117 298.1677 -132.7387 -102.1218 556592.5597 1.5428 1.5082 PRESSURE: 3364000 -87.2157 86.6303 30.31 86.6302 -240.894 -56.2217 30.3094 -56.2211 -197.95 GPRESSURE: 3364000 -59.207 83.3005 73.4948 151.879 -214.925 6.82777 39.986 -10.4971 -148.289 PRESSAVG: 3364000 -16.9932 34.1686 -21.0589 34.1686 5.20552 22.2222 -21.0589 22.2221 -2.62142 GPRESSAVG: 3364000 -17.2697 32.0813 -20.1596 32.4758 6.36939 20.81 -21.0252 23.0612 -3.47496 TIMING: 3364000 CPU: 10016.2, 0.0029081/step Wall: 10016.2, 0.0029081/step, 1.32157 hours remaining, 206.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3364000 783.3495 2104.0311 1926.7240 119.0548 -205803.1217 17385.2039 0.0000 0.0000 34189.1922 -149295.5662 298.5827 -183484.7584 -149201.6104 298.8924 -175.3530 -140.8072 555544.2932 -4.8030 -4.7917 PRESSURE: 3364200 -236.325 15.2447 12.6038 15.2444 -93.9109 -19.9413 12.6025 -19.9412 -83.4648 GPRESSURE: 3364200 -147.861 11.6389 95.6474 64.1794 -56.0103 -76.0955 -62.6913 -77.486 -108.266 PRESSAVG: 3364200 20.6799 17.9177 -29.3692 17.9176 -20.9521 2.98591 -29.3693 2.98588 1.88839 GPRESSAVG: 3364200 20.5036 19.3518 -30.5029 17.6675 -22.0908 3.78823 -28.3271 0.791577 2.62641 TIMING: 3364200 CPU: 10016.8, 0.00293137/step Wall: 10016.8, 0.00293137/step, 1.33198 hours remaining, 206.664062 MB of memory in use. ENERGY: 3364200 766.7727 2089.3258 1915.6739 114.0130 -206117.7423 17567.1450 0.0000 0.0000 34204.6079 -149460.2041 298.7173 -183664.8120 -149363.9123 298.9908 -137.9002 -104.0457 555390.2465 0.5387 0.3464 LDB: ============= START OF LOAD BALANCING ============== 10020.3 LDB: ============== END OF LOAD BALANCING =============== 10020.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10020.3 LDB: ============= START OF LOAD BALANCING ============== 10020.6 LDB: Largest compute 4772 load 0.026524 is 22.4% of average load 0.118256 LDB: Average compute 0.001716 is 1.5% of average load 0.118256 LDB: TIME 10020.6 LOAD: AVG 0.118256 MAX 0.195132 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.203 MB LDB: TIME 10020.6 LOAD: AVG 0.118256 MAX 0.195132 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.203 MB LDB: TIME 10020.6 LOAD: AVG 0.118256 MAX 0.195132 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.203 MB LDB: ============== END OF LOAD BALANCING =============== 10020.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10020.6 PRESSURE: 3364400 -185.683 178.252 -62.9641 178.253 292.458 -70.3865 -62.9659 -70.3874 -220.822 GPRESSURE: 3364400 -157.01 131.015 -16.0563 186.73 272.739 -2.50071 -126.62 -36.6772 -139.001 PRESSAVG: 3364400 7.7091 21.1426 6.42082 21.1427 17.399 -12.4662 6.4209 -12.4662 -16.1893 GPRESSAVG: 3364400 8.1515 20.8958 7.96186 23.0849 16.2213 -12.6637 6.43493 -9.68263 -15.5653 TIMING: 3364400 CPU: 10017.4, 0.00298686/step Wall: 10017.4, 0.00298686/step, 1.35703 hours remaining, 207.890625 MB of memory in use. ENERGY: 3364400 710.4953 2083.6213 1946.1824 115.7763 -206313.5580 17745.9522 0.0000 0.0000 34305.6355 -149405.8951 299.5996 -183711.5305 -149305.9503 298.9188 -38.0159 -7.7575 555445.0395 2.9729 2.9358 PRESSURE: 3364600 -125.766 -225.11 54.925 -225.11 -130.206 108.927 54.9254 108.927 54.8984 GPRESSURE: 3364600 -146.644 -108.064 23.5454 -275.008 -40.8462 134.847 55.0192 150.155 78.7886 PRESSAVG: 3364600 32.8719 -2.43304 -3.99783 -2.43315 46.7632 -17.7263 -3.99782 -17.7263 -57.1484 GPRESSAVG: 3364600 32.9821 -2.49679 -4.2164 -4.33683 47.8857 -17.9242 -4.68158 -16.9676 -58.3949 TIMING: 3364600 CPU: 10018, 0.00293779/step Wall: 10018, 0.00293779/step, 1.33457 hours remaining, 207.890625 MB of memory in use. ENERGY: 3364600 779.5422 2080.3639 1937.8564 106.4299 -206262.2089 17724.4796 0.0000 0.0000 34345.2355 -149288.3015 299.9455 -183633.5370 -149196.5769 299.1792 -67.0248 -36.2340 557925.6208 7.4956 7.4910 PRESSURE: 3364800 99.2831 -30.3059 -159.276 -30.3058 192.829 42.0989 -159.275 42.0992 -56.5895 GPRESSURE: 3364800 143.789 -123.08 -98.6148 -11.2464 183.599 -16.8777 -246.486 40.014 16.2231 PRESSAVG: 3364800 9.03716 -3.10258 -56.4723 -3.10241 -16.3104 8.89141 -56.4723 8.89126 -47.1766 GPRESSAVG: 3364800 10.5307 -1.90038 -57.2215 -2.23083 -17.1268 10.0621 -57.0536 6.91817 -46.8957 TIMING: 3364800 CPU: 10018.5, 0.00294814/step Wall: 10018.5, 0.00294814/step, 1.33911 hours remaining, 207.890625 MB of memory in use. ENERGY: 3364800 739.5762 2060.0999 1955.3849 110.8696 -206324.0531 17891.0675 0.0000 0.0000 34368.3525 -149198.7025 300.1474 -183567.0550 -149101.4378 299.7350 78.5076 114.5369 556496.9586 -18.1500 -17.8306 PRESSURE: 3365000 -112.308 194.29 6.57678 194.29 40.0916 126.278 6.57635 126.279 -333.532 GPRESSURE: 3365000 -91.0433 207.114 -43.7249 176.485 74.4944 164.675 19.5564 69.8057 -288.135 PRESSAVG: 3365000 11.5055 -24.9008 -53.8065 -24.9007 46.0277 17.8286 -53.8065 17.8288 -31.0068 GPRESSAVG: 3365000 11.057 -24.6876 -52.6939 -25.5425 45.6887 15.7649 -53.0873 18.3707 -29.8573 TIMING: 3365000 CPU: 10019.1, 0.00293373/step Wall: 10019.1, 0.00293373/step, 1.3324 hours remaining, 207.890625 MB of memory in use. ENERGY: 3365000 773.9665 2058.8420 1925.2293 112.6548 -206327.7240 17623.3975 0.0000 0.0000 34520.6646 -149312.9692 301.4775 -183833.6338 -149215.1265 299.3113 -135.2495 -101.5615 556444.8800 8.8421 8.9628 PRESSURE: 3365200 -53.6282 -243.216 -188.825 -243.214 -142.146 -191.217 -188.824 -191.216 -63.2022 GPRESSURE: 3365200 -39.4755 -244.701 -204.788 -146.825 -80.3116 -169.103 -137.442 -229.392 -44.8207 PRESSAVG: 3365200 -40.1389 -20.6952 -6.15966 -20.6951 -9.31428 -59.082 -6.15973 -59.0821 30.3496 GPRESSAVG: 3365200 -41.134 -23.2085 -9.03471 -20.5542 -8.0735 -58.1154 -6.22581 -59.6717 29.8395 TIMING: 3365200 CPU: 10019.7, 0.00292257/step Wall: 10019.7, 0.00292257/step, 1.32717 hours remaining, 207.890625 MB of memory in use. ENERGY: 3365200 777.5073 2066.1039 1948.2217 122.3319 -206693.8541 17884.2129 0.0000 0.0000 34401.2884 -149494.1880 300.4350 -183895.4765 -149401.0076 299.3303 -86.3255 -54.8693 556468.7228 -6.3679 -6.4560 PRESSURE: 3365400 -91.987 36.9666 -104.044 36.9667 -33.9413 -34.5334 -104.045 -34.534 -300.48 GPRESSURE: 3365400 -76.692 -82.5314 -134.631 85.8098 -2.09432 4.27124 -200.463 -38.0599 -248.338 PRESSAVG: 3365400 19.9112 -65.0452 -44.4972 -65.0453 35.326 -10.7503 -44.4971 -10.7502 -36.3615 GPRESSAVG: 3365400 20.167 -63.9602 -42.3424 -64.2264 35.0469 -8.86755 -43.9576 -9.69539 -36.2662 TIMING: 3365400 CPU: 10020.3, 0.00294434/step Wall: 10020.3, 0.00294434/step, 1.3369 hours remaining, 207.890625 MB of memory in use. ENERGY: 3365400 738.2573 2030.6702 1947.1403 111.8837 -206188.2639 17717.2860 0.0000 0.0000 34085.8732 -149557.1532 297.6804 -183643.0264 -149463.7132 297.8483 -142.1360 -109.0415 558307.5279 6.2919 6.3159 PRESSURE: 3365600 -1.46445 -34.1302 125.229 -34.1306 170.184 90.7172 125.228 90.718 8.04395 GPRESSURE: 3365600 33.7041 -11.605 144.205 -91.2311 173.764 150.78 67.8209 140.262 65.9497 PRESSAVG: 3365600 -1.29658 12.6154 -53.4151 12.6155 1.33035 -48.9383 -53.4151 -48.9382 -32.3753 GPRESSAVG: 3365600 -1.35654 12.3147 -53.3332 13.4372 0.912047 -49.2752 -53.1259 -49.3217 -31.8631 TIMING: 3365600 CPU: 10020.9, 0.00295402/step Wall: 10020.9, 0.00295402/step, 1.34112 hours remaining, 207.890625 MB of memory in use. ENERGY: 3365600 763.6949 2038.3512 1961.1193 113.7917 -206692.5240 18144.0183 0.0000 0.0000 34190.4058 -149481.1429 298.5933 -183671.5487 -149392.7195 297.9753 58.9212 91.1392 557195.0367 -10.7805 -10.7692 PRESSURE: 3365800 -219.683 -115.465 29.0916 -115.464 -230.832 -112.045 29.0904 -112.046 -103.002 GPRESSURE: 3365800 -131.566 -65.1374 125.547 -199.866 -177.144 -127.252 -84.316 -54.2759 -140.022 PRESSAVG: 3365800 32.3522 26.9024 -37.6748 26.9024 -8.73509 0.147216 -37.6748 0.147165 43.7926 GPRESSAVG: 3365800 32.8091 27.7179 -38.9981 25.1306 -8.09971 -0.562893 -39.1567 -1.36633 42.6413 TIMING: 3365800 CPU: 10021.5, 0.00293494/step Wall: 10021.5, 0.00293494/step, 1.3323 hours remaining, 207.890625 MB of memory in use. ENERGY: 3365800 763.4606 2057.1923 1949.3045 102.2145 -206249.2351 17790.6045 0.0000 0.0000 34255.3647 -149331.0940 299.1606 -183586.4587 -149236.3364 298.6182 -184.5057 -149.5775 559278.0341 22.4699 22.4502 PRESSURE: 3366000 122.58 17.3216 153.825 17.3209 -174.25 -37.7193 153.826 -37.7186 33.8643 GPRESSURE: 3366000 174.112 -75.4618 58.244 97.3956 -129.515 -23.1929 139.091 -32.2324 30.7225 PRESSAVG: 3366000 -34.5651 -8.28099 -22.541 -8.28102 22.382 44.6815 -22.541 44.6815 11.4783 GPRESSAVG: 3366000 -34.4617 -9.63179 -21.8799 -7.31967 22.3398 43.8947 -21.8151 45.2742 11.3368 TIMING: 3366000 CPU: 10022.1, 0.00294084/step Wall: 10022.1, 0.00294084/step, 1.33481 hours remaining, 207.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3366000 758.4717 2098.1337 1943.4779 108.0924 -206525.7108 17995.7626 0.0000 0.0000 34182.6477 -149439.1249 298.5256 -183621.7726 -149345.3164 298.7166 -5.9352 25.1064 558434.1772 -0.2350 -0.2617 PRESSURE: 3366200 389.897 -27.7546 -32.6497 -27.7546 -120.786 48.1242 -32.6487 48.1248 83.0567 GPRESSURE: 3366200 400.755 -92.0756 -74.6132 -49.3198 -97.7659 46.2457 20.5352 108.098 145.855 PRESSAVG: 3366200 53.9188 55.2837 -3.22962 55.2836 -23.8426 19.5074 -3.22969 19.5074 -28.8136 GPRESSAVG: 3366200 53.4179 55.3786 -2.64403 55.6462 -24.5287 18.6286 -4.70553 20.7619 -27.6467 TIMING: 3366200 CPU: 10022.7, 0.00292298/step Wall: 10022.7, 0.00292298/step, 1.32655 hours remaining, 207.890625 MB of memory in use. ENERGY: 3366200 768.0440 2064.4582 1954.3719 118.6695 -206668.8378 17906.7549 0.0000 0.0000 34356.1579 -149500.3813 300.0409 -183856.5392 -149404.2848 299.2741 117.3893 149.6145 555589.5505 0.4209 0.4141 PRESSURE: 3366400 -197.301 -323.517 -12.5809 -323.518 78.4024 -101.824 -12.5804 -101.824 -89.0383 GPRESSURE: 3366400 -146.238 -276.15 -16.664 -244.618 94.3409 -154.48 4.30801 -82.1077 -67.7853 PRESSAVG: 3366400 -35.4581 0.436071 -21.1556 0.436064 2.88324 14.1874 -21.1556 14.1874 31.2733 GPRESSAVG: 3366400 -35.0797 2.81501 -21.8925 -1.0791 3.51193 15.5165 -16.8625 14.1983 30.3741 TIMING: 3366400 CPU: 10023.2, 0.00289239/step Wall: 10023.2, 0.00289239/step, 1.3125 hours remaining, 207.890625 MB of memory in use. ENERGY: 3366400 738.9920 2083.1344 1932.7324 113.6471 -206290.3602 17657.3032 0.0000 0.0000 34272.0380 -149492.5130 299.3062 -183764.5511 -149404.4734 298.6253 -69.3123 -39.8943 557417.4452 -0.4339 -0.3979 PRESSURE: 3366600 -169.002 7.89711 -5.98382 7.8975 -4.92357 151.951 -5.98294 151.952 -147.019 GPRESSURE: 3366600 -101.178 13.2486 -20.3281 -15.2368 2.84188 180.245 59.6195 179.276 -132.685 PRESSAVG: 3366600 -29.4265 -14.4551 -24.7159 -14.455 43.3421 37.6905 -24.7158 37.6904 1.79223 GPRESSAVG: 3366600 -28.6902 -14.1879 -24.4072 -13.2281 42.1456 35.7765 -27.2417 37.1326 1.97079 TIMING: 3366600 CPU: 10023.8, 0.00292406/step Wall: 10023.8, 0.00292406/step, 1.32671 hours remaining, 207.890625 MB of memory in use. ENERGY: 3366600 754.9608 2109.6924 1950.5690 111.4387 -206621.3496 17945.0475 0.0000 0.0000 34333.9969 -149415.6443 299.8473 -183749.6412 -149307.2934 298.4321 -106.9815 -77.0072 558833.7994 5.2360 5.1420 PRESSURE: 3366800 -32.5276 53.0692 -64.4327 53.0699 238.901 68.5583 -64.4331 68.5563 -187.235 GPRESSURE: 3366800 -25.0837 43.0372 -15.6887 23.0746 275.102 92.715 -108.189 -8.45689 -136.261 PRESSAVG: 3366800 10.5784 -12.1604 3.92574 -12.1603 -46.1727 13.2295 3.92576 13.2296 -24.8687 GPRESSAVG: 3366800 9.59786 -12.3383 3.11331 -14.9647 -45.3575 13.6026 4.00889 12.7104 -24.6887 TIMING: 3366800 CPU: 10024.4, 0.00291813/step Wall: 10024.4, 0.00291813/step, 1.32386 hours remaining, 207.890625 MB of memory in use. ENERGY: 3366800 711.4760 2059.6673 1947.7993 105.1818 -206190.4671 17763.4270 0.0000 0.0000 34267.2572 -149335.6585 299.2645 -183602.9157 -149241.3554 298.5641 6.3792 37.9191 558019.7911 -20.1543 -20.1495 PRESSURE: 3367000 -72.5634 -57.7949 -24.3754 -57.7947 -86.221 63.2029 -24.376 63.2026 -144.471 GPRESSURE: 3367000 18.4278 -81.7412 -2.34691 -76.6691 -51.3368 5.30063 -41.337 36.3774 -171.335 PRESSAVG: 3367000 -42.6589 7.18234 -40.8269 7.18233 40.8446 -15.8046 -40.8269 -15.8046 -30.278 GPRESSAVG: 3367000 -42.7294 5.14808 -40.3682 10.43 41.4796 -15.4963 -41.7678 -16.1862 -30.9477 TIMING: 3367000 CPU: 10025, 0.00290359/step Wall: 10025, 0.00290359/step, 1.3171 hours remaining, 207.890625 MB of memory in use. ENERGY: 3367000 751.8174 2055.1526 1943.2353 109.6206 -205790.5628 17690.8257 0.0000 0.0000 33939.0695 -149300.8417 296.3983 -183239.9112 -149207.0906 299.1583 -101.0851 -68.0813 558705.9015 -10.6974 -10.7325 PRESSURE: 3367200 -236.849 21.9967 -56.3927 21.9977 34.7018 71.8079 -56.3935 71.8081 -219.171 GPRESSURE: 3367200 -197.416 58.2974 -1.73023 25.2472 86.1695 100.505 -53.8214 125.637 -214.637 PRESSAVG: 3367200 13.3508 -20.6505 -37.5166 -20.6504 60.3024 55.543 -37.5166 55.543 -43.64 GPRESSAVG: 3367200 12.8463 -19.1579 -36.7782 -21.5636 58.9282 55.4331 -37.0076 56.4645 -42.3301 TIMING: 3367200 CPU: 10025.6, 0.00293565/step Wall: 10025.6, 0.00293565/step, 1.33148 hours remaining, 207.890625 MB of memory in use. ENERGY: 3367200 755.4525 2093.0626 1940.5554 104.0721 -206384.6452 17912.5579 0.0000 0.0000 34321.6007 -149257.3441 299.7391 -183578.9448 -149161.8778 299.2915 -140.4395 -108.6279 559254.6800 10.0044 9.8148 PRESSURE: 3367400 176.537 52.6689 -13.9236 52.6695 -47.8613 81.8526 -13.9225 81.8519 236.617 GPRESSURE: 3367400 234.492 -17.4111 40.3322 61.9588 -19.6377 70.1125 -43.9253 117.177 258.159 PRESSAVG: 3367400 -21.8173 -22.1735 -31.3563 -22.1735 19.2784 -20.1463 -31.3563 -20.1463 11.3868 GPRESSAVG: 3367400 -21.5444 -23.3 -30.1735 -21.9808 19.8809 -19.4343 -31.7823 -21.6056 10.4338 TIMING: 3367400 CPU: 10026.2, 0.00292822/step Wall: 10026.2, 0.00292822/step, 1.32795 hours remaining, 207.890625 MB of memory in use. ENERGY: 3367400 761.8438 2023.2442 1912.1537 91.3716 -206244.2356 18035.5325 0.0000 0.0000 34291.7445 -149128.3454 299.4783 -183420.0899 -149026.1246 299.6515 121.7644 157.6713 558832.5014 2.9493 2.9234 PRESSURE: 3367600 36.2062 -22.2452 -44.5832 -22.2445 -23.9272 33.4693 -44.584 33.4673 -30.2254 GPRESSURE: 3367600 32.8363 -38.4262 -25.0344 23.2595 35.7231 14.2767 -42.3054 84.2748 -1.76928 PRESSAVG: 3367600 51.0142 20.2607 -30.493 20.2606 3.15411 18.2093 -30.493 18.2093 -9.24892 GPRESSAVG: 3367600 50.8703 19.9314 -32.2098 19.5238 3.32012 18.1044 -28.721 16.6195 -9.24103 TIMING: 3367600 CPU: 10026.7, 0.00295832/step Wall: 10026.7, 0.00295832/step, 1.34143 hours remaining, 207.890625 MB of memory in use. ENERGY: 3367600 783.4548 2024.2329 1914.1329 123.0987 -206020.6010 17848.0679 0.0000 0.0000 34272.8409 -149054.7730 299.3132 -183327.6139 -148955.6988 299.6519 -5.9821 22.2634 556195.3033 14.9731 14.9831 PRESSURE: 3367800 -95.7074 -63.5138 -152.65 -63.5143 125.966 12.8191 -152.649 12.818 -19.9904 GPRESSURE: 3367800 -67.3974 -63.7128 -79.1215 8.96829 141.057 -76.0101 -99.9029 68.6351 28.8357 PRESSAVG: 3367800 -15.1331 -1.68794 8.75487 -1.68794 54.1939 3.25675 8.75489 3.25667 9.03298 GPRESSAVG: 3367800 -15.0833 -0.807162 9.95801 -0.169201 53.4132 3.24133 7.11259 5.59562 9.63507 TIMING: 3367800 CPU: 10027.3, 0.00295753/step Wall: 10027.3, 0.00295753/step, 1.34091 hours remaining, 207.890625 MB of memory in use. ENERGY: 3367800 737.7985 2092.1029 1929.2867 128.0485 -205612.3190 17481.9229 0.0000 0.0000 34395.5163 -148847.6432 300.3846 -183243.1595 -148756.8720 299.9734 3.4229 34.1649 556450.9723 16.0313 15.9883 PRESSURE: 3368000 488.825 -21.2109 0.695309 -21.2101 322.646 -37.1525 0.694571 -37.1536 22.9275 GPRESSURE: 3368000 485.523 -45.4411 12.5344 20.9622 309.799 0.0243994 -39.6124 -26.1749 136.549 PRESSAVG: 3368000 17.9994 10.0762 -56.399 10.0761 4.42121 -24.5271 -56.3991 -24.527 -31.0766 GPRESSAVG: 3368000 17.1702 11.6657 -57.6031 9.16682 5.00296 -23.3425 -55.7572 -27.4834 -30.739 TIMING: 3368000 CPU: 10027.9, 0.00295197/step Wall: 10027.9, 0.00295197/step, 1.33822 hours remaining, 207.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3368000 735.8621 2126.2515 1922.6672 120.2661 -206138.7469 18022.9510 0.0000 0.0000 34494.8532 -148715.8958 301.2521 -183210.7491 -148623.6682 300.7652 278.1329 310.6236 555425.6418 -2.8853 -2.8553 PRESSURE: 3368200 32.938 217.092 -108.321 217.091 29.0731 22.781 -108.321 22.7825 -206.717 GPRESSURE: 3368200 26.8763 240.445 -109.452 228.381 108.897 50.9733 -123.289 -26.737 -188.302 PRESSAVG: 3368200 61.9816 -33.4539 -68.1356 -33.4539 38.0969 56.5213 -68.1355 56.5212 -72.3961 GPRESSAVG: 3368200 62.7871 -33.5524 -67.2025 -33.6259 38.0354 55.0889 -70.2443 58.7039 -73.3468 TIMING: 3368200 CPU: 10028.5, 0.00290641/step Wall: 10028.5, 0.00290641/step, 1.31741 hours remaining, 207.890625 MB of memory in use. ENERGY: 3368200 741.4560 2119.6423 1927.3135 98.3474 -205898.6033 17684.0675 0.0000 0.0000 34466.1766 -148861.6001 301.0017 -183327.7767 -148761.8576 301.3846 -48.2354 -17.5095 556461.0953 9.2275 9.1586 LDB: ============= START OF LOAD BALANCING ============== 10032.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10032.1 LDB: =============== DONE WITH MIGRATION ================ 10032.1 LDB: ============= START OF LOAD BALANCING ============== 10032.3 LDB: Largest compute 4772 load 0.027543 is 23.3% of average load 0.118237 LDB: Average compute 0.001715 is 1.5% of average load 0.118237 LDB: TIME 10032.3 LOAD: AVG 0.118237 MAX 0.195604 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.66 MB LDB: TIME 10032.3 LOAD: AVG 0.118237 MAX 0.195604 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.723 MB LDB: TIME 10032.3 LOAD: AVG 0.118237 MAX 0.195604 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.723 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10032.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10032.4 PRESSURE: 3368400 -40.2098 -245.013 -75.0644 -245.013 -118.194 54.5561 -75.0641 54.5558 -113.989 GPRESSURE: 3368400 78.8111 -286.394 -58.5358 -179.919 -137.375 18.8467 -63.3911 46.8471 -117.871 PRESSAVG: 3368400 45.007 -1.50732 19.3143 -1.5074 -1.23552 32.856 19.3143 32.8561 -56.2883 GPRESSAVG: 3368400 47.1161 -4.67978 19.3977 -1.23367 -2.68468 31.0927 18.9027 35.1584 -56.8239 TIMING: 3368400 CPU: 10029.1, 0.0029702/step Wall: 10029.1, 0.0029702/step, 1.34616 hours remaining, 208.394531 MB of memory in use. ENERGY: 3368400 761.3040 2116.2283 1943.8744 125.9620 -205906.5482 17778.0436 0.0000 0.0000 34262.6395 -148918.4964 299.2242 -183181.1359 -148827.2285 299.9936 -90.7976 -58.8114 557899.1825 -4.1723 -4.1308 PRESSURE: 3368600 -174.171 21.7261 143.797 21.7256 -16.143 -15.6122 143.797 -15.6113 49.9573 GPRESSURE: 3368600 -146.125 87.416 80.2424 24.4115 -3.75066 -45.9477 38.0054 -26.2082 106.15 PRESSAVG: 3368600 21.1997 -4.83814 31.7982 -4.83825 7.17295 -17.1378 31.7982 -17.1377 -21.1619 GPRESSAVG: 3368600 19.2834 -2.46253 30.0523 -4.79542 8.85315 -14.8901 31.1467 -20.154 -21.0203 TIMING: 3368600 CPU: 10029.7, 0.00296443/step Wall: 10029.7, 0.00296443/step, 1.34338 hours remaining, 208.652344 MB of memory in use. ENERGY: 3368600 747.1349 2051.5262 1924.1214 108.4099 -206011.1125 17737.3070 0.0000 0.0000 34365.1771 -149077.4359 300.1196 -183442.6131 -148981.4700 299.9139 -46.7857 -14.5751 558524.0937 2.4036 2.3721 PRESSURE: 3368800 -128.059 -114.465 249.312 -114.464 -50.3957 110.489 249.311 110.49 -140.537 GPRESSURE: 3368800 -36.4057 -106.182 209.962 -87.127 -97.1882 97.7081 131.628 142.362 -102.202 PRESSAVG: 3368800 29.4434 44.8459 31.4306 44.8459 32.7394 18.6379 31.4306 18.6379 -78.7284 GPRESSAVG: 3368800 30.1371 44.7014 31.5507 45.3792 30.9759 17.4568 33.9609 19.9716 -77.1769 TIMING: 3368800 CPU: 10030.3, 0.00293339/step Wall: 10030.3, 0.00293339/step, 1.32915 hours remaining, 208.652344 MB of memory in use. ENERGY: 3368800 741.5479 2118.2969 1939.2175 114.8213 -206067.8098 17725.4875 0.0000 0.0000 34379.7199 -149048.7188 300.2466 -183428.4387 -148955.2358 299.2757 -106.3303 -78.5985 558979.9607 -5.5152 -5.3546 PRESSURE: 3369000 24.1137 -148.96 -61.2718 -148.96 138.551 -192.952 -61.2731 -192.952 228.98 GPRESSURE: 3369000 62.1616 -102.27 -81.4808 -169.77 168.357 -243.467 -75.03 -64.3756 252.736 PRESSAVG: 3369000 -12.6931 9.10807 11.3278 9.10807 79.4349 2.85117 11.3277 2.85122 -57.2091 GPRESSAVG: 3369000 -13.5391 7.92967 11.3416 9.08648 81.7303 3.15635 10.1983 3.13829 -58.0404 TIMING: 3369000 CPU: 10030.9, 0.00291772/step Wall: 10030.9, 0.00291772/step, 1.32189 hours remaining, 208.652344 MB of memory in use. ENERGY: 3369000 689.0926 2110.8785 1940.3487 111.7712 -205887.5356 17873.8254 0.0000 0.0000 34138.9565 -149022.6625 298.1440 -183161.6191 -148916.6933 299.5996 130.5485 161.0848 558761.2339 3.1776 3.3836 PRESSURE: 3369200 -47.8566 -101.74 -32.6261 -101.74 -65.0193 -51.3451 -32.6272 -51.3463 23.7776 GPRESSURE: 3369200 12.6402 -146.289 -54.2744 8.74345 -22.4641 -108.16 58.9111 -103.829 19.3122 PRESSAVG: 3369200 -41.0175 49.2768 -2.25762 49.2768 -11.5892 3.89956 -2.25755 3.89947 9.5902 GPRESSAVG: 3369200 -40.324 49.3161 -2.14983 49.1904 -11.2828 3.76285 -1.05334 3.59081 9.05993 TIMING: 3369200 CPU: 10031.5, 0.00294063/step Wall: 10031.5, 0.00294063/step, 1.33211 hours remaining, 208.652344 MB of memory in use. ENERGY: 3369200 767.9380 2066.8828 1919.6231 113.8000 -206097.5605 17814.2525 0.0000 0.0000 34369.3957 -149045.6686 300.1565 -183415.0642 -148952.0472 299.0540 -29.6994 3.1628 558463.9428 -14.3388 -14.1823 PRESSURE: 3369400 44.3346 68.0349 -13.415 68.0344 -82.014 25.2407 -13.4158 25.241 15.2182 GPRESSURE: 3369400 96.5139 52.0289 -62.3159 83.4145 -51.9938 43.1575 -41.1076 -53.3602 28.4763 PRESSAVG: 3369400 4.86117 28.7792 -37.6716 28.7791 -57.6332 -13.5762 -37.6715 -13.5763 43.8269 GPRESSAVG: 3369400 4.70511 31.0355 -37.3221 27.5907 -57.642 -15.3873 -37.7575 -12.7454 44.0865 TIMING: 3369400 CPU: 10032, 0.0029323/step Wall: 10032, 0.0029323/step, 1.32817 hours remaining, 208.652344 MB of memory in use. ENERGY: 3369400 788.6793 2110.5373 1922.4432 111.0125 -206161.8611 17895.2263 0.0000 0.0000 34332.3203 -149001.6422 299.8327 -183333.9625 -148900.8922 300.0904 -7.4870 24.3321 558258.9722 -2.9817 -2.9501 PRESSURE: 3369600 63.9114 27.1904 -17.774 27.1901 307.526 69.4022 -17.7736 69.4022 -143.305 GPRESSURE: 3369600 130.924 73.7577 14.9257 11.113 299.62 128.819 -33.9077 33.8298 -104.582 PRESSAVG: 3369600 32.1145 -17.6569 -15.4331 -17.6568 -23.3746 45.0147 -15.433 45.0147 -21.153 GPRESSAVG: 3369600 31.3125 -18.9183 -16.3204 -16.1904 -22.5549 46.4599 -17.0761 44.703 -20.7888 TIMING: 3369600 CPU: 10032.6, 0.00293553/step Wall: 10032.6, 0.00293554/step, 1.32947 hours remaining, 208.652344 MB of memory in use. ENERGY: 3369600 771.3104 2080.0304 1904.0947 110.4499 -205817.0480 17787.6552 0.0000 0.0000 34239.4491 -148924.0583 299.0216 -183163.5074 -148824.5124 300.0655 76.0442 108.6543 556254.7870 -4.1377 -4.0104 PRESSURE: 3369800 -402.684 37.411 13.6542 37.41 -12.5149 151.71 13.6534 151.71 -179.621 GPRESSURE: 3369800 -351.734 31.4065 34.387 82.8376 16.7137 140.51 -65.2555 212.768 -163.023 PRESSAVG: 3369800 1.70983 -41.5011 -13.0725 -41.5012 -4.94861 3.46342 -13.0725 3.46343 -1.45422 GPRESSAVG: 3369800 2.03977 -41.1711 -11.8005 -41.2249 -5.2537 5.62241 -11.6644 2.53718 -1.452 TIMING: 3369800 CPU: 10033.2, 0.00293352/step Wall: 10033.2, 0.00293352/step, 1.3284 hours remaining, 208.652344 MB of memory in use. ENERGY: 3369800 801.5317 2080.4287 1927.0670 102.8643 -205985.0504 17640.9470 0.0000 0.0000 34436.8758 -148995.3358 300.7458 -183432.2116 -148895.6685 300.0572 -198.2735 -166.0145 558181.8584 -1.5643 -1.5553 PRESSURE: 3370000 -194.676 -67.6654 -7.45281 -67.6657 -23.4427 -60.4827 -7.4525 -60.4816 -212.616 GPRESSURE: 3370000 -129.131 -93.5167 -12.7559 -107.929 -4.21176 -29.7705 52.9048 -4.78177 -215.289 PRESSAVG: 3370000 2.63551 38.0669 -44.4012 38.0669 -58.7364 54.166 -44.4013 54.166 18.6513 GPRESSAVG: 3370000 3.40625 37.4761 -43.9172 38.788 -59.3632 51.0537 -44.1644 55.3802 18.5446 TIMING: 3370000 CPU: 10033.8, 0.00291837/step Wall: 10033.8, 0.00291837/step, 1.32137 hours remaining, 208.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3370000 751.2723 2088.3048 1945.4784 125.4621 -205703.0003 17636.2387 0.0000 0.0000 34300.3868 -148855.8571 299.5538 -183156.2440 -148762.6424 300.2964 -143.5781 -116.2107 559244.6944 -12.4832 -12.4708 PRESSURE: 3370200 31.1254 132.349 13.8621 132.349 -321.758 26.6483 13.862 26.6495 -25.5867 GPRESSURE: 3370200 88.3836 58.6652 0.302368 211.333 -326.679 35.934 14.326 -4.08391 9.95966 PRESSAVG: 3370200 28.2747 -17.8567 -27.6479 -17.8567 -14.5207 -37.942 -27.6481 -37.9421 -15.3508 GPRESSAVG: 3370200 27.4728 -19.0599 -27.5833 -18.2451 -13.8969 -36.8274 -28.9939 -38.3257 -14.743 TIMING: 3370200 CPU: 10034.4, 0.00294614/step Wall: 10034.4, 0.00294614/step, 1.33378 hours remaining, 208.652344 MB of memory in use. ENERGY: 3370200 811.8798 2108.3399 1941.3940 118.3170 -205910.5192 17781.2854 0.0000 0.0000 34197.7399 -148951.5632 298.6574 -183149.3031 -148848.9887 300.1580 -105.4064 -76.1120 557550.7689 -0.5323 -0.3891 PRESSURE: 3370400 69.9831 179.828 132.129 179.827 59.0264 143.263 132.13 143.263 24.0545 GPRESSURE: 3370400 129.376 135.024 90.6775 144.674 96.9765 153.227 27.3431 150.246 30.1504 PRESSAVG: 3370400 -23.6036 27.3394 -25.9402 27.3394 -20.5431 0.129326 -25.9402 0.129286 19.6959 GPRESSAVG: 3370400 -23.6478 31.519 -26.2961 25.1581 -20.6253 0.759242 -25.0949 0.0495815 19.6763 TIMING: 3370400 CPU: 10035, 0.00294412/step Wall: 10035, 0.00294412/step, 1.33271 hours remaining, 208.652344 MB of memory in use. ENERGY: 3370400 745.3446 2118.2593 1957.2443 124.5070 -206132.4149 17857.0677 0.0000 0.0000 34240.3782 -149089.6137 299.0297 -183329.9919 -149001.8723 299.7595 51.0214 85.5011 556901.2212 -8.1503 -8.1990 PRESSURE: 3370600 -162.077 52.6149 165.791 52.6147 -226.316 -20.7685 165.792 -20.7693 -93.4505 GPRESSURE: 3370600 -105.625 -3.36006 166.887 -63.9987 -164.867 -99.6257 155.257 -2.97832 -119.539 PRESSAVG: 3370600 14.9467 -9.42433 6.17417 -9.42424 -4.42429 19.3101 6.17429 19.31 15.2373 GPRESSAVG: 3370600 16.1391 -12.6324 4.28564 -8.01538 -4.37299 18.8662 6.33701 19.257 13.9858 TIMING: 3370600 CPU: 10035.6, 0.00294438/step Wall: 10035.6, 0.00294438/step, 1.33266 hours remaining, 208.652344 MB of memory in use. ENERGY: 3370600 774.2430 2131.9846 1943.9377 122.5908 -206156.3698 17728.9212 0.0000 0.0000 34399.1779 -149055.5145 300.4166 -183454.6924 -148959.2267 299.8945 -160.6146 -130.0106 557617.3861 8.5866 8.5840 PRESSURE: 3370800 -39.0983 -96.7963 -21.4439 -96.7944 -28.8901 -36.9526 -21.4446 -36.9508 -97.8391 GPRESSURE: 3370800 29.6831 -150.051 -36.5168 -40.5909 16.8489 -2.96637 -65.5913 -66.5296 -108.913 PRESSAVG: 3370800 -47.5531 -39.7687 -11.4055 -39.7688 8.7599 -17.3674 -11.4054 -17.3675 58.7899 GPRESSAVG: 3370800 -49.1512 -38.7325 -9.29544 -40.1833 8.29455 -19.0481 -11.7886 -17.0118 60.597 TIMING: 3370800 CPU: 10036.2, 0.00295126/step Wall: 10036.2, 0.00295126/step, 1.33561 hours remaining, 208.652344 MB of memory in use. ENERGY: 3370800 766.3729 2089.1738 1917.6698 125.0793 -206347.5134 18006.9080 0.0000 0.0000 34260.3488 -149181.9608 299.2041 -183442.3096 -149083.2702 299.7282 -55.2758 -20.7937 559326.6048 6.6656 6.5801 PRESSURE: 3371000 -240.114 -171.146 -1.54914 -171.148 138.433 -31.1138 -1.54979 -31.1134 135.631 GPRESSURE: 3371000 -112.055 -129.353 -50.5899 -162.382 143.885 -58.8548 -64.2139 -61.5552 89.1764 PRESSAVG: 3371000 39.5555 12.5283 -57.4256 12.5283 25.1431 14.8823 -57.4255 14.8823 -53.7173 GPRESSAVG: 3371000 41.7058 12.4276 -57.1623 13.6387 24.7673 14.5472 -59.491 16.8171 -55.1064 TIMING: 3371000 CPU: 10036.7, 0.00294123/step Wall: 10036.7, 0.00294123/step, 1.33091 hours remaining, 208.652344 MB of memory in use. ENERGY: 3371000 733.8487 2069.0992 1970.0536 115.2987 -205966.2997 17747.2794 0.0000 0.0000 34197.1295 -149133.5906 298.6520 -183330.7200 -149037.6371 299.8287 11.3167 40.3355 557438.5922 3.6604 3.7889 PRESSURE: 3371200 148.572 -108.53 -15.2802 -108.53 172.567 -50.5098 -15.2795 -50.5106 -49.8929 GPRESSURE: 3371200 141.142 -38.9039 -44.3368 -122.818 243.501 -83.2286 62.7131 25.0111 -12.1467 PRESSAVG: 3371200 42.2958 13.9716 0.300663 13.9715 43.9491 -5.43734 0.300643 -5.43737 -52.2315 GPRESSAVG: 3371200 41.6148 13.34 -2.03009 13.7621 45.1242 -3.39483 4.10006 -8.14043 -53.0599 TIMING: 3371200 CPU: 10037.3, 0.00291817/step Wall: 10037.3, 0.00291817/step, 1.32031 hours remaining, 208.652344 MB of memory in use. ENERGY: 3371200 768.6290 2062.9064 1953.7856 111.2847 -206217.1825 17951.6703 0.0000 0.0000 34310.3952 -149058.5113 299.6412 -183368.9066 -148960.2181 299.7401 90.4155 124.1655 558469.5920 11.3378 11.2264 PRESSURE: 3371400 60.3535 -140.251 64.1101 -140.25 -69.7705 55.9663 64.1097 55.9656 -213.913 GPRESSURE: 3371400 113.924 -182.395 72.147 -106.15 -66.1653 78.6422 48.9002 94.9366 -174.531 PRESSAVG: 3371400 28.584 32.9612 26.1516 32.9612 -23.1339 28.1935 26.1516 28.1934 -14.6639 GPRESSAVG: 3371400 27.2831 33.2347 28.3829 31.6248 -23.4162 27.0515 22.8155 28.3819 -13.3293 TIMING: 3371400 CPU: 10037.9, 0.00293613/step Wall: 10037.9, 0.00293613/step, 1.32827 hours remaining, 208.652344 MB of memory in use. ENERGY: 3371400 751.3068 2097.4031 1927.6658 117.6428 -205904.7357 17652.3235 0.0000 0.0000 34227.0914 -149131.3021 298.9137 -183358.3936 -149044.2400 299.5753 -74.4432 -42.2576 557458.6924 -3.0713 -3.1541 PRESSURE: 3371600 -284.549 -75.8533 164.132 -75.8556 -97.4417 -10.1801 164.132 -10.1805 -252.737 GPRESSURE: 3371600 -237.869 -79.3344 173.827 -105.516 -53.6937 24.6664 41.1603 -20.3913 -227.887 PRESSAVG: 3371600 37.8525 17.9804 35.5605 17.9803 17.8153 42.2718 35.5605 42.2717 -30.6422 GPRESSAVG: 3371600 39.1351 18.1528 32.5108 17.2808 16.5588 42.2745 36.1305 41.1181 -30.4201 TIMING: 3371600 CPU: 10038.5, 0.00293897/step Wall: 10038.5, 0.00293897/step, 1.32939 hours remaining, 208.652344 MB of memory in use. ENERGY: 3371600 771.6193 2069.9866 1933.9106 103.2060 -206212.8089 17596.7380 0.0000 0.0000 34541.4215 -149195.9269 301.6588 -183737.3484 -149095.7387 300.0333 -211.5759 -173.1499 557447.4492 8.3419 8.4246 PRESSURE: 3371800 -475.586 -169.325 72.6561 -169.324 -295.373 180.167 72.6556 180.167 -146.129 GPRESSURE: 3371800 -316.853 -222.727 38.8985 -100.735 -340.736 201.091 93.9834 148.882 -155.512 PRESSAVG: 3371800 36.5917 -24.7514 38.3228 -24.7514 15.6409 57.9299 38.3228 57.9299 -42.0055 GPRESSAVG: 3371800 35.6381 -24.3528 41.0649 -24.0958 15.6783 56.8382 38.1328 59.2117 -41.4376 TIMING: 3371800 CPU: 10039.1, 0.00295157/step Wall: 10039.1, 0.00295157/step, 1.33493 hours remaining, 208.652344 MB of memory in use. ENERGY: 3371800 769.4624 2096.5635 1933.7945 121.5580 -205360.8463 17281.3023 0.0000 0.0000 34099.3654 -149058.8003 297.7982 -183158.1657 -148963.4011 300.1558 -305.6962 -271.0335 559131.4991 3.4090 3.2929 PRESSURE: 3372000 -106.761 -188.03 -27.2704 -188.031 -250.867 167.648 -27.2697 167.649 42.3585 GPRESSURE: 3372000 -138.119 -81.8079 -110.11 -271.163 -134.741 190.333 57.7567 159.066 65.9215 PRESSAVG: 3372000 38.1285 -17.4703 -34.675 -17.4702 57.0112 59.258 -34.675 59.258 -60.2527 GPRESSAVG: 3372000 38.7078 -19.8236 -36.3239 -16.1059 57.752 62.0144 -34.4096 60.0519 -61.4511 TIMING: 3372000 CPU: 10039.7, 0.00296919/step Wall: 10039.7, 0.00296919/step, 1.34273 hours remaining, 208.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3372000 785.8074 2078.8615 1935.5945 102.6497 -206244.6649 17911.5342 0.0000 0.0000 34254.3036 -149175.9141 299.1514 -183430.2177 -149076.8734 299.6759 -105.0896 -68.9795 558835.2305 11.6290 11.6696 PRESSURE: 3372200 -156.195 -59.9184 63.5517 -59.9177 138.358 33.2202 63.5507 33.2211 248.949 GPRESSURE: 3372200 -234.73 -35.3811 98.7425 -45.2271 261.465 -13.5601 34.8007 69.8783 304.408 PRESSAVG: 3372200 -30.944 -46.2143 20.4435 -46.2143 70.9438 64.8399 20.4435 64.8399 -41.129 GPRESSAVG: 3372200 -31.0602 -43.1004 22.0124 -47.2044 70.217 62.4416 19.8922 62.6107 -40.8199 TIMING: 3372200 CPU: 10040.3, 0.00293769/step Wall: 10040.3, 0.00293769/step, 1.32833 hours remaining, 208.652344 MB of memory in use. ENERGY: 3372200 715.3011 2079.7091 1930.9795 112.8775 -206123.4534 17893.7602 0.0000 0.0000 34183.8758 -149206.9500 298.5363 -183390.8258 -149119.3245 299.4212 77.0372 110.3808 559078.6995 -0.3764 -0.5544 LDB: ============= START OF LOAD BALANCING ============== 10043.8 LDB: ============== END OF LOAD BALANCING =============== 10043.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10043.8 LDB: ============= START OF LOAD BALANCING ============== 10044.1 LDB: Largest compute 4772 load 0.026520 is 22.4% of average load 0.118238 LDB: Average compute 0.001714 is 1.4% of average load 0.118238 LDB: TIME 10044.1 LOAD: AVG 0.118238 MAX 0.195687 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.266 MB LDB: TIME 10044.1 LOAD: AVG 0.118238 MAX 0.195687 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.266 MB LDB: TIME 10044.1 LOAD: AVG 0.118238 MAX 0.195687 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.266 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10044.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10044.1 PRESSURE: 3372400 -267.174 -57.6741 -17.8869 -57.6746 -44.8045 141.048 -17.8877 141.048 -223.119 GPRESSURE: 3372400 -221.581 6.42186 -27.7307 -50.5519 -36.1275 74.3417 36.5157 80.4913 -196.108 PRESSAVG: 3372400 -11.7311 -5.28434 -59.087 -5.28439 -29.0167 15.8135 -59.087 15.8137 10.5937 GPRESSAVG: 3372400 -12.8518 -6.43739 -60.1661 -4.82625 -28.1688 18.3757 -57.5289 15.1307 11.098 TIMING: 3372400 CPU: 10040.9, 0.00298433/step Wall: 10040.9, 0.00298433/step, 1.34925 hours remaining, 208.578125 MB of memory in use. ENERGY: 3372400 736.6426 2019.4980 1942.7869 111.9703 -205681.6074 17429.0475 0.0000 0.0000 34329.5664 -149112.0957 299.8086 -183441.6621 -149017.2898 299.1639 -178.3660 -151.2720 558039.3442 -10.0513 -9.9742 PRESSURE: 3372600 -203.937 57.4374 87.5132 57.437 -150.675 171.666 87.5119 171.666 -117.507 GPRESSURE: 3372600 -173.624 -17.2337 153.964 75.817 -80.0435 185.976 36.1327 121.609 -119.167 PRESSAVG: 3372600 7.0977 -6.53564 -3.98105 -6.5356 -7.12894 22.7803 -3.98102 22.7803 13.7758 GPRESSAVG: 3372600 6.92014 -7.05006 -3.54157 -7.14176 -6.82077 22.4751 -5.35772 23.0218 13.6509 TIMING: 3372600 CPU: 10041.5, 0.00293371/step Wall: 10041.5, 0.00293371/step, 1.3262 hours remaining, 208.777344 MB of memory in use. ENERGY: 3372600 775.6945 2030.3655 1969.6557 109.1072 -206090.6517 17530.0969 0.0000 0.0000 34416.0212 -149259.7108 300.5637 -183675.7320 -149166.4872 298.6212 -157.3730 -124.2782 557828.1477 4.5815 4.5834 PRESSURE: 3372800 -134.986 49.4913 -67.3041 49.4928 12.4355 83.6521 -67.3035 83.6506 -254.241 GPRESSURE: 3372800 -102.925 176.018 -117.049 -39.5641 12.2118 111.314 -125.084 70.4425 -196.278 PRESSAVG: 3372800 24.7582 17.1934 -24.5395 17.1934 18.5902 -12.6547 -24.5395 -12.6547 -50.8498 GPRESSAVG: 3372800 25.4836 17.3818 -24.4001 17.9903 18.004 -11.8113 -23.988 -10.9027 -50.9113 TIMING: 3372800 CPU: 10042, 0.00295089/step Wall: 10042, 0.00295089/step, 1.3338 hours remaining, 208.777344 MB of memory in use. ENERGY: 3372800 744.6534 2087.3591 1945.9724 109.1302 -206088.0416 17655.7424 0.0000 0.0000 34039.3772 -149505.8069 297.2743 -183545.1841 -149404.9258 299.1551 -125.5972 -95.6636 557066.7394 -2.5005 -2.4746 PRESSURE: 3373000 46.2261 110.316 -215.12 110.317 127.557 55.113 -215.119 55.1121 -26.2227 GPRESSURE: 3373000 148.169 145.464 -222.968 21.6485 146.144 64.7953 -228.591 66.5737 -52.8711 PRESSAVG: 3373000 -5.65744 17.7264 29.0684 17.7264 9.30573 13.4388 29.0684 13.4386 -25.1103 GPRESSAVG: 3373000 -5.08263 15.2274 29.9126 19.1069 8.16542 11.7828 30.0136 13.609 -24.8651 TIMING: 3373000 CPU: 10042.6, 0.00294897/step Wall: 10042.6, 0.00294897/step, 1.33277 hours remaining, 208.777344 MB of memory in use. ENERGY: 3373000 754.7727 2036.8633 1952.5477 104.0702 -206219.4752 17754.7125 0.0000 0.0000 34093.7489 -149522.7598 297.7492 -183616.5087 -149421.4404 298.4834 49.1867 80.4807 557523.3326 -7.1540 -7.2608 PRESSURE: 3373200 237.888 -107.244 -101.71 -107.244 -105.886 226.339 -101.71 226.339 -47.7792 GPRESSURE: 3373200 215.597 -108.719 -52.8835 -149.312 -21.1547 249.231 -147.135 154.786 -23.1545 PRESSAVG: 3373200 65.0871 37.2453 -38.2747 37.2451 -65.6521 33.0498 -38.2747 33.0497 1.79583 GPRESSAVG: 3373200 64.1815 40.2061 -39.5748 35.044 -65.326 32.6519 -39.118 32.2977 1.92948 TIMING: 3373200 CPU: 10043.2, 0.00294427/step Wall: 10043.2, 0.00294427/step, 1.33048 hours remaining, 208.777344 MB of memory in use. ENERGY: 3373200 714.5813 2076.4832 1928.1711 106.1955 -206220.7857 17724.5168 0.0000 0.0000 34234.7451 -149436.0926 298.9805 -183670.8377 -149344.6949 297.8561 28.0742 57.0959 555988.9350 0.4103 0.2616 PRESSURE: 3373400 -110.413 64.7141 -155.387 64.7133 156.202 46.5051 -155.387 46.5046 -41.0474 GPRESSURE: 3373400 -43.2035 51.3496 -36.3223 103.511 176.693 103.469 -146.512 34.3176 -31.5334 PRESSAVG: 3373400 62.2218 7.61871 33.686 7.6186 -22.845 16.5117 33.6859 16.5116 -5.22698 GPRESSAVG: 3373400 63.992 6.51804 32.4022 8.33734 -23.663 19.0445 33.4957 15.6891 -6.16396 TIMING: 3373400 CPU: 10043.8, 0.00297455/step Wall: 10043.8, 0.00297455/step, 1.344 hours remaining, 208.777344 MB of memory in use. ENERGY: 3373400 784.5427 2065.3360 1922.3222 102.2863 -206391.7939 17939.6127 0.0000 0.0000 34065.7097 -149511.9841 297.5043 -183577.6938 -149415.8816 298.4133 1.5807 33.9853 558524.7979 11.3833 11.3884 PRESSURE: 3373600 -18.2524 -22.6995 37.7683 -22.6987 19.4261 126.62 37.7677 126.62 99.0012 GPRESSURE: 3373600 3.47312 -17.7552 6.03834 2.6054 111.954 162.861 26.4888 120.629 62.5304 PRESSAVG: 3373600 1.71289 44.9992 41.4117 44.9991 46.8054 -25.4848 41.4118 -25.4849 -48.3344 GPRESSAVG: 3373600 0.89126 44.456 44.2858 42.9195 46.9841 -28.4977 40.7809 -23.3784 -48.2839 TIMING: 3373600 CPU: 10044.4, 0.00295658/step Wall: 10044.4, 0.00295658/step, 1.33572 hours remaining, 208.777344 MB of memory in use. ENERGY: 3373600 722.6320 2120.1613 1921.3363 113.5901 -206161.0053 17733.9516 0.0000 0.0000 34089.3771 -149459.9570 297.7110 -183549.3340 -149375.1225 298.8872 33.3916 59.3193 556387.8801 0.0613 -0.1362 PRESSURE: 3373800 -187.667 118.586 -10.085 118.586 28.9365 -97.9612 -10.0858 -97.9608 -223.222 GPRESSURE: 3373800 -154.106 19.7775 0.925047 93.9559 58.5198 -137.1 2.60759 -32.284 -190.017 PRESSAVG: 3373800 -38.5193 -60.5296 65.9997 -60.5297 27.29 34.2234 65.9997 34.2234 21.9633 GPRESSAVG: 3373800 -38.753 -58.9128 65.8919 -59.4467 27.05 35.3211 67.2722 32.571 22.4971 TIMING: 3373800 CPU: 10045, 0.00293778/step Wall: 10045, 0.00293778/step, 1.32706 hours remaining, 208.777344 MB of memory in use. ENERGY: 3373800 752.7166 2092.7733 1938.9815 115.4412 -206477.4730 17787.1867 0.0000 0.0000 34254.9817 -149535.3918 299.1573 -183790.3736 -149446.4247 298.8718 -127.3176 -95.2010 557043.3695 3.5780 3.5980 PRESSURE: 3374000 -76.9273 173.461 139.17 173.461 -237.228 -68.3204 139.171 -68.3211 -249.071 GPRESSURE: 3374000 -98.9947 142.871 185.332 211.505 -193.772 -11.4239 140.447 -68.9957 -174.22 PRESSAVG: 3374000 4.83018 14.7415 22.1721 14.7416 56.7638 1.36429 22.1722 1.36424 -39.9014 GPRESSAVG: 3374000 4.71074 13.215 21.8677 14.6748 57.2397 1.52377 21.782 1.47736 -40.5736 TIMING: 3374000 CPU: 10045.6, 0.00292684/step Wall: 10045.6, 0.00292684/step, 1.32196 hours remaining, 208.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3374000 751.3455 2022.0883 1969.1867 102.1730 -206173.2266 17565.7160 0.0000 0.0000 34166.2917 -149596.4254 298.3827 -183762.7171 -149506.7893 298.5026 -187.7423 -155.6622 557891.9902 7.2309 7.1256 PRESSURE: 3374200 63.8721 -93.1941 64.0973 -93.1943 221.561 -55.2114 64.0965 -55.2107 301.421 GPRESSURE: 3374200 139.295 -115.82 43.5607 45.5399 188.185 -12.1427 55.5352 2.49705 352.517 PRESSAVG: 3374200 -21.6357 -3.38347 45.8612 -3.38343 11.7697 -7.96283 45.8611 -7.96282 -27.9347 GPRESSAVG: 3374200 -21.9112 -3.33625 46.5236 -2.0102 11.7644 -9.47598 44.5726 -7.79336 -27.3433 TIMING: 3374200 CPU: 10046.2, 0.00291671/step Wall: 10046.2, 0.00291671/step, 1.31722 hours remaining, 208.777344 MB of memory in use. ENERGY: 3374200 736.7105 2053.2991 1935.2585 106.1691 -206519.8684 18203.8415 0.0000 0.0000 33926.4617 -149558.1279 296.2882 -183484.5896 -149464.7471 298.0789 195.6180 226.6657 557189.6291 -12.6002 -12.4967 PRESSURE: 3374400 -91.4467 -113.698 -47.5094 -113.698 -132.917 110.401 -47.5103 110.401 101.722 GPRESSURE: 3374400 -108.2 -195.747 -35.9931 -76.7626 -95.2859 184.127 -9.94723 2.46762 167.672 PRESSAVG: 3374400 54.1566 -3.62461 -1.30507 -3.62465 4.20936 -53.2193 -1.30509 -53.2193 -42.9261 GPRESSAVG: 3374400 54.7253 -3.23826 -2.53586 -3.46027 3.77864 -51.8755 -0.0383402 -52.141 -43.819 TIMING: 3374400 CPU: 10046.8, 0.00296759/step Wall: 10046.8, 0.00296759/step, 1.34003 hours remaining, 208.777344 MB of memory in use. ENERGY: 3374400 728.0575 2035.1065 1929.9248 106.3886 -206367.7472 17806.6102 0.0000 0.0000 34111.5741 -149650.0855 297.9049 -183761.6596 -149549.3920 297.3618 -40.8803 -11.9379 556671.6568 5.1466 4.8950 PRESSURE: 3374600 15.5541 4.74485 41.1703 4.74442 153.909 -13.8677 41.1708 -13.867 87.6551 GPRESSURE: 3374600 104.13 -8.49923 -51.8191 -11.1898 174.455 -71.8012 69.3735 1.37022 72.2268 PRESSAVG: 3374600 -25.8108 28.5422 -34.9787 28.5421 -18.7517 24.3654 -34.9786 24.3654 29.4636 GPRESSAVG: 3374600 -24.9017 28.121 -37.4667 27.7245 -19.101 25.033 -33.086 21.2829 28.9296 TIMING: 3374600 CPU: 10047.4, 0.00294121/step Wall: 10047.4, 0.00294121/step, 1.32795 hours remaining, 208.777344 MB of memory in use. ENERGY: 3374600 701.3518 2070.6425 1917.0432 107.9833 -206649.8735 18043.0177 0.0000 0.0000 34300.5214 -149509.3136 299.5550 -183809.8351 -149424.7798 298.1932 85.7059 116.9370 557426.7579 -5.0330 -5.0244 PRESSURE: 3374800 -94.4481 56.4679 124.525 56.4683 -59.4422 117.891 124.524 117.89 2.84677 GPRESSURE: 3374800 -130.956 -7.84629 97.4188 13.7359 23.0564 163.291 48.1019 119.529 44.1404 PRESSAVG: 3374800 -12.3749 -48.4457 -31.3948 -48.4458 101.442 32.3933 -31.3949 32.3933 -36.9999 GPRESSAVG: 3374800 -13.2676 -48.6167 -29.7372 -48.0724 102.883 30.6308 -34.3043 35.0076 -37.1736 TIMING: 3374800 CPU: 10047.9, 0.00295848/step Wall: 10047.9, 0.00295848/step, 1.33559 hours remaining, 208.777344 MB of memory in use. ENERGY: 3374800 692.7694 2067.6451 1949.5957 121.0458 -206019.1682 17666.7112 0.0000 0.0000 34112.3018 -149409.0993 297.9112 -183521.4011 -149312.1511 298.0108 -50.3478 -21.2532 559664.6550 17.3556 17.4807 PRESSURE: 3375000 -435.856 -119.872 23.9314 -119.872 -205.818 -137.237 23.9317 -137.237 -111.797 GPRESSURE: 3375000 -366.911 -162.318 -43.8372 -89.5638 -216.751 -157.954 81.6696 -194.429 -71.166 PRESSAVG: 3375000 -67.771 7.38922 -2.368 7.38927 49.2246 -11.4374 -2.3681 -11.4375 2.09982 GPRESSAVG: 3375000 -67.9005 5.76562 -0.86412 7.95746 47.0505 -10.3151 -2.78978 -13.0392 4.18494 TIMING: 3375000 CPU: 10048.5, 0.00295435/step Wall: 10048.5, 0.00295435/step, 1.33356 hours remaining, 208.777344 MB of memory in use. ENERGY: 3375000 746.1044 2082.8464 1941.6268 125.5826 -205805.6694 17596.4784 0.0000 0.0000 34061.7007 -149251.3302 297.4693 -183313.0309 -149156.4424 298.5487 -251.1572 -218.2762 559564.7315 -5.4822 -5.5550 PRESSURE: 3375200 -494.216 80.4635 -77.3148 80.4639 -178.849 14.6571 -77.314 14.656 -82.3617 GPRESSURE: 3375200 -455.498 68.9597 -96.87 90.8432 -112.886 -45.8373 -94.1589 24.0067 -74.2341 PRESSAVG: 3375200 -41.2094 0.0861884 -32.0644 0.0862021 35.1219 -35.2123 -32.0643 -35.2123 5.39052 GPRESSAVG: 3375200 -40.9729 -0.407638 -33.0656 1.95871 36.2825 -36.1452 -32.3664 -34.8081 3.86468 TIMING: 3375200 CPU: 10049.1, 0.00297342/step Wall: 10049.1, 0.00297342/step, 1.342 hours remaining, 208.777344 MB of memory in use. ENERGY: 3375200 769.7293 2100.2426 1937.9788 114.5926 -205491.7655 17210.6363 0.0000 0.0000 34198.5630 -149160.0230 298.6646 -183358.5860 -149063.3409 299.3248 -251.8086 -214.2063 557574.8748 -0.2323 -0.2752 PRESSURE: 3375400 -169.795 17.1833 -44.8955 17.1832 268.726 100.452 -44.8959 100.452 -310.544 GPRESSURE: 3375400 -109.005 23.8833 1.82693 8.22518 239.353 22.4807 -151.428 84.3662 -240.852 PRESSAVG: 3375400 52.6256 2.15955 -4.93839 2.15966 -58.9939 -4.80718 -4.93846 -4.80713 4.34025 GPRESSAVG: 3375400 52.881 3.27651 -3.62236 -1.23463 -60.0622 -2.57943 -3.03224 -4.65327 5.18275 TIMING: 3375400 CPU: 10049.7, 0.00293614/step Wall: 10049.7, 0.00293614/step, 1.32501 hours remaining, 208.777344 MB of memory in use. ENERGY: 3375400 769.7342 2112.8518 1893.3164 112.1633 -206233.1855 17885.3482 0.0000 0.0000 34298.9227 -149160.8489 299.5410 -183459.7716 -149069.9480 300.0115 -70.5374 -36.8349 557790.6304 -0.6760 -0.6662 PRESSURE: 3375600 191.704 -71.4654 -2.68763 -71.4661 172.987 -54.5648 -2.68797 -54.5653 58.6037 GPRESSURE: 3375600 215.041 -4.18232 4.04963 -194.348 211.954 -55.5356 15.4343 -51.1158 90.9751 PRESSAVG: 3375600 4.1378 -39.0558 29.1963 -39.0559 29.8706 0.848581 29.1963 0.848549 -10.1058 GPRESSAVG: 3375600 3.22283 -40.8601 28.5203 -35.7436 30.4582 0.29535 29.24 0.362289 -10.3188 TIMING: 3375600 CPU: 10050.3, 0.00294461/step Wall: 10050.3, 0.00294461/step, 1.32867 hours remaining, 208.777344 MB of memory in use. ENERGY: 3375600 761.6145 2088.0500 1939.3131 110.1710 -206352.5341 17951.0917 0.0000 0.0000 34283.0619 -149219.2320 299.4025 -183502.2939 -149118.0699 299.7245 141.0982 172.6568 557011.8596 7.9675 7.7874 PRESSURE: 3375800 -182.082 95.2481 -87.7961 95.2475 -15.134 84.9655 -87.7963 84.9654 -225.291 GPRESSURE: 3375800 -179.978 104.561 -63.1163 81.11 50.6141 8.15133 -47.8372 71.6446 -194.519 PRESSAVG: 3375800 -28.0205 -50.304 -0.264168 -50.3041 23.4454 -40.759 -0.264286 -40.7591 3.90084 GPRESSAVG: 3375800 -27.3882 -48.0843 -1.51809 -53.0502 23.5434 -41.7961 -1.36467 -40.2234 3.25095 TIMING: 3375800 CPU: 10050.9, 0.00295965/step Wall: 10050.9, 0.00295965/step, 1.33529 hours remaining, 208.777344 MB of memory in use. ENERGY: 3375800 751.7042 2098.6808 1938.4548 109.3060 -205973.7949 17673.4147 0.0000 0.0000 34157.5099 -149244.7245 298.3060 -183402.2344 -149143.9923 299.5127 -140.8357 -107.9608 557118.9377 -0.2248 -0.1979 PRESSURE: 3376000 -319.635 -7.70766 140.894 -7.70822 -56.6675 172.853 140.894 172.852 -206.499 GPRESSURE: 3376000 -246.179 -11.2335 191.417 44.2499 -54.4517 51.8995 32.7623 130.051 -187.94 PRESSAVG: 3376000 -4.85416 -5.72707 -15.0113 -5.72708 -12.0096 70.1495 -15.0113 70.1495 -16.5912 GPRESSAVG: 3376000 -5.29534 -7.35082 -15.8083 -2.86945 -13.0911 69.6185 -11.7484 70.5353 -15.0386 TIMING: 3376000 CPU: 10051.5, 0.00292203/step Wall: 10051.5, 0.00292203/step, 1.31816 hours remaining, 208.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3376000 774.3711 2109.4722 1913.8484 108.2420 -205980.8507 17521.4635 0.0000 0.0000 34202.9764 -149350.4772 298.7031 -183553.4536 -149253.4035 298.3192 -194.2670 -162.8570 557359.3178 -11.1516 -11.1417 PRESSURE: 3376200 -288.515 -145.431 208.823 -145.431 -60.3148 -158.109 208.823 -158.109 -69.3605 GPRESSURE: 3376200 -244.713 -132.384 175.151 -144.054 -44.0703 -142.509 156.846 -193.434 -30.0822 PRESSAVG: 3376200 -40.4277 18.1685 61.2218 18.1685 22.5193 11.1122 61.2218 11.1121 -2.64181 GPRESSAVG: 3376200 -41.0337 19.2961 63.7023 16.7819 22.1766 12.8636 57.8821 11.5872 -1.59647 TIMING: 3376200 CPU: 10052.1, 0.0029363/step Wall: 10052.1, 0.0029363/step, 1.32443 hours remaining, 208.777344 MB of memory in use. ENERGY: 3376200 722.6834 2142.3882 1930.7804 115.1341 -205976.1248 17428.8355 0.0000 0.0000 34201.4541 -149434.8491 298.6898 -183636.3032 -149337.4964 298.7464 -139.3969 -106.2885 556827.4292 -6.8501 -6.8178 LDB: ============= START OF LOAD BALANCING ============== 10055.6 LDB: ============== END OF LOAD BALANCING =============== 10055.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10055.6 LDB: ============= START OF LOAD BALANCING ============== 10055.9 LDB: Largest compute 4772 load 0.027816 is 23.5% of average load 0.118234 LDB: Average compute 0.001728 is 1.5% of average load 0.118234 LDB: TIME 10055.9 LOAD: AVG 0.118234 MAX 0.196613 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.039 MB LDB: TIME 10055.9 LOAD: AVG 0.118234 MAX 0.196613 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.137 MB LDB: TIME 10055.9 LOAD: AVG 0.118234 MAX 0.196613 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.137 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10055.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10055.9 PRESSURE: 3376400 -74.9053 141.629 -128.507 141.628 -12.6334 -142.006 -128.507 -142.005 -83.6089 GPRESSURE: 3376400 -75.0853 250.65 -32.1001 141.853 71.3921 -141.623 -178.73 -149.517 -67.708 PRESSAVG: 3376400 -28.8468 -1.07352 32.0312 -1.0736 -38.884 -38.0293 32.0311 -38.0295 28.2977 GPRESSAVG: 3376400 -28.788 0.167797 29.8006 -1.73429 -38.4201 -39.452 34.6595 -37.5635 27.818 TIMING: 3376400 CPU: 10052.7, 0.00300536/step Wall: 10052.7, 0.00300536/step, 1.35542 hours remaining, 206.945312 MB of memory in use. ENERGY: 3376400 760.8632 2137.0263 1925.8813 116.3406 -206141.1560 17612.2767 0.0000 0.0000 34133.5484 -149455.2194 298.0968 -183588.7679 -149358.0427 299.0894 -57.0492 -23.8004 555602.0684 -13.1444 -13.1300 PRESSURE: 3376600 324.793 -153.568 23.1834 -153.567 -206.612 45.1522 23.1835 45.1525 98.1864 GPRESSURE: 3376600 371.655 -131.287 110.344 -36.5627 -151.075 79.2126 2.01759 -3.87144 95.393 PRESSAVG: 3376600 -25.7846 -65.3079 -14.4834 -65.308 14.9558 -15.9122 -14.4834 -15.9122 -15.8576 GPRESSAVG: 3376600 -25.5003 -65.1469 -11.6363 -65.0799 16.2691 -16.9992 -18.7242 -17.4979 -17.8364 TIMING: 3376600 CPU: 10053.3, 0.00294835/step Wall: 10053.3, 0.00294835/step, 1.32954 hours remaining, 207.183594 MB of memory in use. ENERGY: 3376600 730.7921 2141.8896 1928.1270 111.3460 -206324.9478 17806.1518 0.0000 0.0000 34186.9187 -149419.7225 298.5629 -183606.6413 -149320.3163 298.1793 72.1223 105.3244 555859.5083 -8.8955 -9.0225 PRESSURE: 3376800 46.3862 -33.0757 -123.734 -33.0755 -183.412 -72.1493 -123.733 -72.1494 243.682 GPRESSURE: 3376800 43.5425 -38.8272 -88.7926 -29.6688 -90.0727 -8.5861 -45.8972 -150.932 243.711 PRESSAVG: 3376800 -34.8462 42.5204 -33.0882 42.5204 38.8156 22.2054 -33.0882 22.2055 -1.19588 GPRESSAVG: 3376800 -34.5083 43.2589 -35.2106 41.0052 36.9919 24.2323 -29.372 23.6884 0.36316 TIMING: 3376800 CPU: 10053.8, 0.00294999/step Wall: 10053.8, 0.00294999/step, 1.33012 hours remaining, 207.183594 MB of memory in use. ENERGY: 3376800 723.5582 2078.8827 1928.6861 122.8073 -206567.2694 17942.7502 0.0000 0.0000 34360.4781 -149410.1068 300.0786 -183770.5849 -149318.8833 298.3821 35.5519 65.7268 556037.1722 0.9245 0.9489 PRESSURE: 3377000 -83.8476 126.706 -178.993 126.706 111.057 40.5757 -178.993 40.576 -55.6406 GPRESSURE: 3377000 -95.1458 121.391 -142.249 119.206 156.122 14.3327 -182.466 0.0574065 4.7029 PRESSAVG: 3377000 -19.349 15.7941 -33.1233 15.7941 -20.5554 -21.553 -33.1232 -21.553 55.3873 GPRESSAVG: 3377000 -18.9546 14.43 -31.618 16.4191 -19.8996 -20.6032 -35.8303 -23.1474 54.6651 TIMING: 3377000 CPU: 10054.4, 0.00292617/step Wall: 10054.4, 0.00292617/step, 1.31921 hours remaining, 207.183594 MB of memory in use. ENERGY: 3377000 701.4014 2098.1730 1944.6640 110.6991 -206439.5562 17770.3319 0.0000 0.0000 34279.4759 -149534.8108 299.3712 -183814.2868 -149434.4613 299.1478 -9.4769 21.8932 555691.1595 5.1610 5.2703 PRESSURE: 3377200 -85.4339 139.955 35.955 139.953 45.4923 -80.7549 35.9549 -80.7538 74.0487 GPRESSURE: 3377200 -50.9258 140.691 66.0997 202.987 89.3626 -23.8401 61.6126 -111.426 79.2081 PRESSAVG: 3377200 -1.39451 -7.57634 9.11046 -7.5764 6.27148 1.10598 9.11044 1.10599 24.0289 GPRESSAVG: 3377200 -1.45005 -9.06019 8.86425 -6.9971 5.41676 0.614615 10.514 -1.05084 24.9625 TIMING: 3377200 CPU: 10055, 0.00292729/step Wall: 10055, 0.00292729/step, 1.31956 hours remaining, 207.183594 MB of memory in use. ENERGY: 3377200 720.4155 2079.8917 1922.3888 122.0370 -206323.6453 17786.4337 0.0000 0.0000 34452.7730 -149239.7055 300.8846 -183692.4785 -149143.2996 298.7611 11.3690 39.2149 557501.2333 9.6353 9.6431 PRESSURE: 3377400 -152.523 97.9141 69.1897 97.9138 -4.23952 25.5753 69.1907 25.5753 214.038 GPRESSURE: 3377400 -167.346 36.5125 3.41481 211.709 40.508 194.392 47.1316 -39.7126 279.464 PRESSAVG: 3377400 -19.887 28.8055 -36.7984 28.8054 -3.92431 27.0626 -36.7983 27.0625 -9.06485 GPRESSAVG: 3377400 -19.0141 31.7647 -34.5283 28.9832 -3.80975 25.877 -39.215 31.4571 -9.68576 TIMING: 3377400 CPU: 10055.6, 0.002918/step Wall: 10055.6, 0.002918/step, 1.31521 hours remaining, 207.183594 MB of memory in use. ENERGY: 3377400 761.2328 2131.2312 1969.0247 122.2450 -206402.1884 18027.0810 0.0000 0.0000 34346.2865 -149045.0870 299.9547 -183391.3735 -148948.9543 299.6190 19.0917 50.8753 557692.9383 -10.9587 -10.8365 PRESSURE: 3377600 -101.85 -10.1197 50.3743 -10.118 -4.13528 149.617 50.3753 149.616 54.5788 GPRESSURE: 3377600 -75.2492 -18.611 71.3163 40.6121 30.7205 135.187 -5.75128 112.453 83.0808 PRESSAVG: 3377600 -96.3417 29.3309 -9.19624 29.331 -12.0541 4.08283 -9.19627 4.08278 71.4727 GPRESSAVG: 3377600 -97.7126 29.11 -11.0244 30.1254 -10.567 4.00964 -7.70862 0.93665 71.4367 TIMING: 3377600 CPU: 10056.2, 0.00294137/step Wall: 10056.2, 0.00294137/step, 1.32558 hours remaining, 207.183594 MB of memory in use. ENERGY: 3377600 769.7099 2160.7876 1964.3773 99.8974 -206231.4420 17859.1276 0.0000 0.0000 34164.4789 -149213.0634 298.3669 -183377.5422 -149122.8713 299.3982 -17.1356 12.8507 558449.1294 -12.3077 -12.2810 PRESSURE: 3377800 -171.07 -79.166 -60.5895 -79.1677 -243.025 -152.594 -60.589 -152.594 -253.699 GPRESSURE: 3377800 -171.66 -73.2692 -141.275 18.9707 -214.714 -150.613 -105.033 -126.705 -191.272 PRESSAVG: 3377800 34.6103 -13.2921 -16.7858 -13.2922 -64.806 -28.4966 -16.7858 -28.4967 13.349 GPRESSAVG: 3377800 35.6108 -14.1043 -16.8063 -13.8808 -64.6965 -29.3895 -14.7101 -25.3529 12.2101 TIMING: 3377800 CPU: 10056.8, 0.00292354/step Wall: 10056.8, 0.00292354/step, 1.31738 hours remaining, 207.183594 MB of memory in use. ENERGY: 3377800 731.8575 2113.8404 1936.8212 119.5919 -205585.0192 17418.0117 0.0000 0.0000 33940.8629 -149324.0336 296.4140 -183264.8965 -149225.5295 299.0596 -222.5980 -192.5486 558904.0225 -5.6156 -5.6252 PRESSURE: 3378000 -2.55597 29.1725 163.513 29.1748 -1.81988 -125.315 163.514 -125.314 -99.6704 GPRESSURE: 3378000 -5.54457 -48.212 84.5028 44.129 39.7301 -182.043 157.326 -74.8962 -40.1679 PRESSAVG: 3378000 -31.8795 9.19138 34.82 9.19132 14.096 -53.5926 34.82 -53.5926 16.6275 GPRESSAVG: 3378000 -33.4775 7.46093 35.9203 9.28844 14.332 -53.0936 33.8437 -53.8642 17.9678 TIMING: 3378000 CPU: 10057.4, 0.00294663/step Wall: 10057.4, 0.00294663/step, 1.32762 hours remaining, 207.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3378000 750.5407 2092.5549 1917.4102 123.0451 -206006.1706 17763.5237 0.0000 0.0000 34143.8240 -149215.2721 298.1865 -183359.0962 -149126.7237 298.7455 -34.6821 -1.9941 558772.0157 -0.3853 -0.3926 PRESSURE: 3378200 -397.687 -19.0004 -115.609 -19.0017 177.883 -89.5762 -115.611 -89.5762 -2.3286 GPRESSURE: 3378200 -354.914 -44.517 -34.0974 -21.911 212.126 -144.754 -16.7497 3.4625 5.0482 PRESSAVG: 3378200 -17.5992 -52.3681 7.09364 -52.3681 -2.00551 -16.5243 7.09366 -16.5244 -7.2819 GPRESSAVG: 3378200 -17.3966 -50.5864 7.61045 -53.6589 -2.95179 -14.8147 6.23284 -18.7179 -6.84692 TIMING: 3378200 CPU: 10058, 0.00294273/step Wall: 10058, 0.00294273/step, 1.3257 hours remaining, 207.183594 MB of memory in use. ENERGY: 3378200 746.2664 2139.6626 1943.6314 120.1525 -206015.8552 17789.9985 0.0000 0.0000 34076.1791 -149199.9647 297.5957 -183276.1438 -149108.1672 298.9424 -74.0442 -45.9135 560214.7020 -8.9622 -9.0651 PRESSURE: 3378400 167.986 13.5891 138.321 13.5899 -16.0078 -72.8463 138.322 -72.8461 -135.297 GPRESSURE: 3378400 181.73 -8.43907 88.525 62.39 13.426 -111.38 165.647 -61.7325 -86.0967 PRESSAVG: 3378400 -21.6387 -66.1021 33.5195 -66.102 23.819 12.8712 33.5195 12.8712 -4.36371 GPRESSAVG: 3378400 -21.552 -64.041 32.3695 -66.1281 23.9954 10.8127 34.0993 13.8136 -4.14794 TIMING: 3378400 CPU: 10058.5, 0.00295179/step Wall: 10058.5, 0.00295179/step, 1.32962 hours remaining, 207.183594 MB of memory in use. ENERGY: 3378400 782.7469 2094.7619 1924.4573 110.5326 -206438.9651 18114.9549 0.0000 0.0000 34173.7045 -149237.8069 298.4475 -183411.5114 -149148.8774 298.6621 5.5603 36.3530 558839.0354 -0.7278 -0.5682 PRESSURE: 3378600 -40.1708 -19.0101 -118.048 -19.0109 -109.014 99.1025 -118.047 99.1039 145.842 GPRESSURE: 3378600 -33.6027 -7.13969 -61.6279 14.4006 -16.7999 127.885 -116.579 126.047 151.431 PRESSAVG: 3378600 9.02406 -17.1668 18.3904 -17.1667 23.0286 32.2106 18.3904 32.2107 -9.9285 GPRESSAVG: 3378600 9.42749 -18.0085 18.4529 -14.5956 23.5949 32.8617 17.9777 31.6861 -11.1777 TIMING: 3378600 CPU: 10059.1, 0.00292937/step Wall: 10059.1, 0.00292937/step, 1.31935 hours remaining, 207.183594 MB of memory in use. ENERGY: 3378600 724.2803 2064.4036 1934.8526 116.1526 -206016.4877 17822.3057 0.0000 0.0000 34294.6001 -149059.8927 299.5033 -183354.4928 -148963.5424 299.1896 -1.1143 33.6761 558810.3126 7.3747 7.2815 PRESSURE: 3378800 71.2382 207.04 111.014 207.039 -80.0478 -11.0521 111.013 -11.0513 178.22 GPRESSURE: 3378800 60.669 212.291 170.583 150.171 12.6014 72.5774 71.7199 20.2756 189.245 PRESSAVG: 3378800 -83.5876 -19.9689 11.6433 -19.9688 -2.15495 18.3464 11.6434 18.3464 93.8995 GPRESSAVG: 3378800 -83.8112 -21.2357 10.6504 -19.6643 -3.49816 18.189 12.545 17.8899 95.659 TIMING: 3378800 CPU: 10059.7, 0.00293343/step Wall: 10059.7, 0.00293343/step, 1.32102 hours remaining, 207.183594 MB of memory in use. ENERGY: 3378800 764.1105 2103.4047 1930.4263 101.9452 -206439.4659 17998.0908 0.0000 0.0000 34348.0523 -149193.4360 299.9701 -183541.4884 -149101.4926 299.1425 56.4701 87.5051 556835.2709 2.7190 2.7832 PRESSURE: 3379000 -171.009 185.31 127.599 185.31 -189.01 9.70102 127.6 9.70026 276.377 GPRESSURE: 3379000 -117.136 173.994 139.096 215.621 -174.527 41.7721 110.616 -6.17535 309.775 PRESSAVG: 3379000 -20.2844 10.5702 30.9114 10.5702 -30.3325 -26.4614 30.9114 -26.4614 75.5989 GPRESSAVG: 3379000 -19.6763 10.7415 32.7746 9.38854 -30.0703 -27.7893 29.8291 -25.3667 74.6564 TIMING: 3379000 CPU: 10060.3, 0.00292555/step Wall: 10060.3, 0.00292555/step, 1.31731 hours remaining, 207.183594 MB of memory in use. ENERGY: 3379000 767.4600 2037.3717 1933.5750 122.0793 -206042.4840 17770.0663 0.0000 0.0000 34185.0677 -149226.8640 298.5467 -183411.9316 -149132.4099 298.7894 -27.8807 6.0373 556731.0851 8.3274 8.3033 PRESSURE: 3379200 131.273 88.9024 193.38 88.9024 -208.134 -180.331 193.379 -180.33 -28.0138 GPRESSURE: 3379200 198.693 50.7109 224.221 93.8805 -209.46 -144.53 208.363 -212.978 -5.14158 PRESSAVG: 3379200 -3.77441 15.8639 16.0095 15.8639 -9.85442 -47.8861 16.0095 -47.886 46.5906 GPRESSAVG: 3379200 -3.93386 16.6928 13.9044 15.4369 -10.3105 -47.6038 16.6436 -48.0406 47.0293 TIMING: 3379200 CPU: 10060.9, 0.00292994/step Wall: 10060.9, 0.00292994/step, 1.31912 hours remaining, 207.183594 MB of memory in use. ENERGY: 3379200 713.3203 2029.0451 1920.6272 114.9819 -205790.2367 17542.1933 0.0000 0.0000 34267.2083 -149202.8606 299.2641 -183470.0689 -149098.0491 299.5492 -34.9580 -5.3029 556142.1129 10.9872 10.9283 PRESSURE: 3379400 -78.1281 166.323 -19.6553 166.322 46.9859 138.124 -19.6549 138.126 -248.732 GPRESSURE: 3379400 -124.201 158.403 -116.832 189.224 63.2151 126.832 59.2021 100.173 -125.428 PRESSAVG: 3379400 59.9357 35.2929 -16.117 35.2928 -29.8118 -67.676 -16.117 -67.676 -43.8544 GPRESSAVG: 3379400 60.0146 33.3688 -14.9073 35.3489 -29.792 -65.5496 -15.9234 -68.3941 -44.3298 TIMING: 3379400 CPU: 10061.5, 0.00294255/step Wall: 10061.5, 0.00294255/step, 1.32464 hours remaining, 207.183594 MB of memory in use. ENERGY: 3379400 775.7299 2114.8181 1964.1921 99.9435 -206195.3160 17793.2333 0.0000 0.0000 34272.5150 -149174.8843 299.3104 -183447.3993 -149078.6293 299.8995 -93.2915 -62.1380 557856.5558 -4.5768 -4.7024 PRESSURE: 3379600 174.583 -24.1649 12.6906 -24.1656 107.596 -98.6386 12.6898 -98.6397 -59.8423 GPRESSURE: 3379600 182.004 -76.1693 6.69155 -45.6703 150.302 -126.524 41.1475 -89.5264 -8.13167 PRESSAVG: 3379600 46.2653 37.523 -19.309 37.523 -51.0298 3.10872 -19.309 3.10876 4.12257 GPRESSAVG: 3379600 47.1708 37.6815 -19.0785 38.6763 -50.8329 0.949536 -19.5365 3.53844 3.05698 TIMING: 3379600 CPU: 10062.1, 0.00293787/step Wall: 10062.1, 0.00293787/step, 1.32237 hours remaining, 207.183594 MB of memory in use. ENERGY: 3379600 754.8655 2139.9232 1922.6860 122.6898 -206123.4631 17823.8421 0.0000 0.0000 34125.4237 -149234.0327 298.0258 -183359.4564 -149138.4758 298.7336 74.1123 108.0580 557124.9051 -0.2140 -0.2017 PRESSURE: 3379800 164.597 68.3474 -164.82 68.347 -61.6597 -232.113 -164.82 -232.111 -144.333 GPRESSURE: 3379800 122.12 97.5183 -146.96 95.4992 25.6654 -135.757 -164.487 -279.116 -104.294 PRESSAVG: 3379800 -46.9858 -31.3764 -35.8457 -31.3764 37.2295 -46.6112 -35.8457 -46.6113 -49.174 GPRESSAVG: 3379800 -49.1619 -28.3783 -36.7994 -31.7996 37.8814 -47.4074 -33.6994 -44.8805 -47.8337 TIMING: 3379800 CPU: 10062.7, 0.00295262/step Wall: 10062.7, 0.00295262/step, 1.32884 hours remaining, 207.183594 MB of memory in use. ENERGY: 3379800 726.4449 2129.0154 1937.2844 99.0629 -205894.3937 17671.2140 0.0000 0.0000 34245.7761 -149085.5960 299.0769 -183331.3721 -148985.1835 299.3263 -13.7986 14.4970 557295.4183 -19.6434 -19.7047 PRESSURE: 3380000 -153.179 38.704 -159.086 38.7043 63.6764 -86.2672 -159.085 -86.266 141.499 GPRESSURE: 3380000 -100.166 -5.39922 -128.905 77.517 86.0582 -80.1666 -224.978 -123.108 170.511 PRESSAVG: 3380000 52.9897 -37.6449 -41.6994 -37.6448 -31.0402 -9.48643 -41.6994 -9.48643 -10.4971 GPRESSAVG: 3380000 54.4911 -38.8852 -40.9365 -37.7254 -31.7614 -9.93458 -44.8257 -10.6891 -11.2272 TIMING: 3380000 CPU: 10063.2, 0.00294967/step Wall: 10063.2, 0.00294967/step, 1.32735 hours remaining, 207.183594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3380000 750.7221 2059.0635 1927.9578 123.7953 -206363.2232 17981.5461 0.0000 0.0000 34322.6932 -149197.4452 299.7486 -183520.1384 -149100.5771 299.0742 17.3324 52.1342 557598.8955 3.8175 3.8341 PRESSURE: 3380200 -253.854 37.5202 12.6023 37.5209 -206.151 30.8964 12.602 30.8946 -83.471 GPRESSURE: 3380200 -234.222 15.6214 63.0938 -40.4397 -187.299 -7.95749 -21.284 34.2302 -4.37314 PRESSAVG: 3380200 37.3317 8.89845 -22.8494 8.89849 -18.8748 44.3615 -22.8495 44.3614 38.9139 GPRESSAVG: 3380200 35.9046 7.9468 -22.558 8.7438 -18.2551 47.3551 -23.0022 42.998 39.7843 TIMING: 3380200 CPU: 10063.8, 0.0029446/step Wall: 10063.8, 0.0029446/step, 1.32491 hours remaining, 207.183594 MB of memory in use. ENERGY: 3380200 737.6240 2134.0204 1954.0823 114.5873 -205977.8817 17610.3943 0.0000 0.0000 34392.7157 -149034.4577 300.3601 -183427.1734 -148944.2460 299.9640 -181.1588 -141.9646 559522.7877 19.1236 19.1446 LDB: ============= START OF LOAD BALANCING ============== 10067.4 LDB: ============== END OF LOAD BALANCING =============== 10067.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10067.4 LDB: ============= START OF LOAD BALANCING ============== 10067.7 LDB: Largest compute 4772 load 0.026785 is 22.7% of average load 0.118233 LDB: Average compute 0.001720 is 1.5% of average load 0.118233 LDB: TIME 10067.7 LOAD: AVG 0.118233 MAX 0.19936 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.945 MB LDB: TIME 10067.7 LOAD: AVG 0.118233 MAX 0.19936 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.008 MB LDB: TIME 10067.7 LOAD: AVG 0.118233 MAX 0.19936 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.008 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10067.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10067.7 PRESSURE: 3380400 -320.654 15.3448 116.569 15.3452 -117.065 -34.249 116.569 -34.25 -195.884 GPRESSURE: 3380400 -335.341 63.7155 24.6292 4.58608 -33.6215 19.2071 67.1852 19.4962 -177.117 PRESSAVG: 3380400 9.22086 -23.901 -18.6704 -23.9009 -21.0218 -32.8854 -18.6704 -32.8855 13.5251 GPRESSAVG: 3380400 8.86792 -20.5468 -19.2002 -25.1692 -21.9994 -33.2591 -18.5521 -30.5672 14.2196 TIMING: 3380400 CPU: 10064.4, 0.00303683/step Wall: 10064.4, 0.00303683/step, 1.36623 hours remaining, 207.566406 MB of memory in use. ENERGY: 3380400 762.5676 2106.7552 1938.5986 101.8506 -205605.4260 17341.2112 0.0000 0.0000 34285.3188 -149069.1239 299.4222 -183354.4427 -148968.7471 300.0749 -211.2007 -182.0267 558808.9286 0.5747 0.3627 PRESSURE: 3380600 -64.7026 -74.0428 99.18 -74.0426 185.289 68.1715 99.1798 68.1703 -247.299 GPRESSURE: 3380600 -28.0608 -63.5842 138.697 -46.5914 223.886 68.1648 106.625 59.1902 -223.755 PRESSAVG: 3380600 -25.3597 -22.536 -18.6112 -22.536 -15.8745 2.55245 -18.6113 2.5523 11.2021 GPRESSAVG: 3380600 -25.2212 -24.9991 -17.6233 -21.2435 -15.062 0.984967 -17.7861 2.63787 10.3252 TIMING: 3380600 CPU: 10065, 0.00294767/step Wall: 10065, 0.00294767/step, 1.32596 hours remaining, 207.566406 MB of memory in use. ENERGY: 3380600 754.1039 2129.2134 1987.2946 134.7991 -205943.3772 17689.4636 0.0000 0.0000 34132.6770 -149115.8257 298.0892 -183248.5026 -149022.3422 299.8078 -42.2374 -9.3101 556907.6317 -10.0107 -9.9860 PRESSURE: 3380800 -261.855 -0.475333 142.523 -0.474811 -309.552 -69.2944 142.523 -69.2921 -370.066 GPRESSURE: 3380800 -185.357 -12.3818 128.725 78.5674 -325.937 -105.903 149.942 -39.0651 -346.892 PRESSAVG: 3380800 -31.3814 54.2758 1.74883 54.2757 30.174 49.1401 1.74873 49.1402 -4.70449 GPRESSAVG: 3380800 -30.6857 53.1507 0.815225 53.8867 29.7536 50.4784 2.50648 49.1588 -5.12957 TIMING: 3380800 CPU: 10065.6, 0.00294806/step Wall: 10065.6, 0.00294806/step, 1.32597 hours remaining, 207.566406 MB of memory in use. ENERGY: 3380800 794.0810 2106.2843 1960.5788 120.2442 -205744.2724 17370.0318 0.0000 0.0000 34141.6515 -149251.4008 298.1675 -183393.0523 -149156.2543 299.5631 -313.8245 -286.0618 558318.1526 -1.9706 -2.0206 PRESSURE: 3381000 177.923 -104.043 144.832 -104.042 169.75 94.1034 144.832 94.1033 246.672 GPRESSURE: 3381000 241.196 -150.613 75.4513 -1.93574 206.433 69.0425 168.071 129.149 238.284 PRESSAVG: 3381000 38.6577 -1.13843 -23.6958 -1.13836 -17.1869 82.2587 -23.6958 82.2589 -38.9912 GPRESSAVG: 3381000 38.0795 0.0105608 -22.7929 -0.994561 -17.9893 82.1719 -25.0672 81.9284 -37.3957 TIMING: 3381000 CPU: 10066.2, 0.0029603/step Wall: 10066.2, 0.0029603/step, 1.33131 hours remaining, 207.566406 MB of memory in use. ENERGY: 3381000 742.9659 2088.7436 1933.9133 111.6204 -206710.4350 18295.2509 0.0000 0.0000 34341.1971 -149196.7437 299.9102 -183537.9408 -149096.0924 299.2207 198.1149 228.6377 557840.9733 -5.8401 -5.7685 PRESSURE: 3381200 170.13 -49.1397 73.4901 -49.1391 313.937 -107.967 73.4911 -107.968 -52.929 GPRESSURE: 3381200 241.563 -12.4189 125.227 -29.4259 290.641 -11.6396 98.4041 -141.473 1.30566 PRESSAVG: 3381200 32.3163 -43.5585 30.8241 -43.5585 51.5562 23.7496 30.824 23.7496 -61.8855 GPRESSAVG: 3381200 32.619 -44.3389 33.1002 -41.7149 52.6949 21.8119 30.0476 23.0391 -62.8513 TIMING: 3381200 CPU: 10066.8, 0.00293807/step Wall: 10066.8, 0.00293807/step, 1.32115 hours remaining, 207.566406 MB of memory in use. ENERGY: 3381200 714.7424 2138.6803 1937.0065 113.1090 -206582.0020 18076.8604 0.0000 0.0000 34423.1220 -149178.4814 300.6257 -183601.6034 -149083.6237 299.6740 143.7130 177.8365 559472.1058 7.3290 7.4876 PRESSURE: 3381400 -337.681 21.9664 141.696 21.9669 -265.512 46.4986 141.696 46.4984 -98.3949 GPRESSURE: 3381400 -313.566 -27.2416 143.194 61.7145 -223.731 12.3236 86.8861 77.5922 -63.1113 PRESSAVG: 3381400 -7.27283 -24.4346 9.89901 -24.4346 -7.6446 46.1792 9.89894 46.1792 -12.4833 GPRESSAVG: 3381400 -7.32151 -21.8182 6.06305 -26.5393 -7.17442 48.2006 11.8912 46.2026 -12.6976 TIMING: 3381400 CPU: 10067.4, 0.00295389/step Wall: 10067.4, 0.00295389/step, 1.3281 hours remaining, 207.566406 MB of memory in use. ENERGY: 3381400 733.6810 2137.8674 1934.3116 105.1462 -205409.9921 17390.9674 0.0000 0.0000 34045.5432 -149062.4755 297.3282 -183108.0186 -148961.6286 299.8899 -233.8626 -200.1361 559642.3717 -9.1336 -9.0645 PRESSURE: 3381600 -576.286 118.635 1.56327 118.635 -74.9641 51.2382 1.56512 51.2381 -103.042 GPRESSURE: 3381600 -468.678 196.649 -9.16069 133.473 -70.8455 15.4484 -30.1528 56.5049 -100.774 PRESSAVG: 3381600 -28.9537 -39.6524 34.0634 -39.6523 55.0006 5.33838 34.0633 5.33836 -29.0867 GPRESSAVG: 3381600 -28.0442 -41.4543 33.9778 -38.9475 53.5722 4.21779 34.4672 6.86907 -28.7995 TIMING: 3381600 CPU: 10068, 0.00293609/step Wall: 10068, 0.00293609/step, 1.31994 hours remaining, 207.566406 MB of memory in use. ENERGY: 3381600 769.9847 2061.8420 1940.4563 121.0097 -205888.1031 17489.4962 0.0000 0.0000 34373.3122 -149132.0021 300.1907 -183505.3143 -149032.5663 298.9337 -251.4305 -213.4325 557543.2958 -1.0133 -1.0905 PRESSURE: 3381800 -80.5902 -28.8941 -73.2902 -28.8941 68.5327 27.5781 -73.2904 27.578 -163.018 GPRESSURE: 3381800 -59.0732 29.7232 -32.1571 -97.2015 79.3512 55.5176 -48.5503 14.8248 -108.06 PRESSAVG: 3381800 -52.3094 -36.5315 15.1911 -36.5315 42.8419 38.4465 15.1912 38.4466 44.3671 GPRESSAVG: 3381800 -52.8776 -36.6865 16.3128 -37.5074 43.2386 38.8784 16.7719 38.4157 44.1819 TIMING: 3381800 CPU: 10068.6, 0.00295004/step Wall: 10068.6, 0.00295004/step, 1.32604 hours remaining, 207.566406 MB of memory in use. ENERGY: 3381800 797.6162 2100.6925 1892.2474 107.0626 -206147.1206 17712.2824 0.0000 0.0000 34400.0268 -149137.1928 300.4240 -183537.2196 -149044.5500 299.2571 -58.3586 -29.2606 556799.6886 11.6332 11.5143 PRESSURE: 3382000 -120.317 93.0155 9.2482 93.0167 -22.6816 80.867 9.24782 80.8674 -100.525 GPRESSURE: 3382000 -46.6944 116.409 34.5386 90.0841 -12.0395 73.9277 -48.463 99.1393 -83.9573 PRESSAVG: 3382000 -5.67825 -28.5818 5.34019 -28.5817 33.4329 6.47142 5.34027 6.4714 -40.2792 GPRESSAVG: 3382000 -6.2869 -28.021 5.21393 -27.7206 34.7602 6.61147 3.09581 5.13782 -40.7165 TIMING: 3382000 CPU: 10069.2, 0.00294831/step Wall: 10069.2, 0.00294831/step, 1.3251 hours remaining, 207.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3382000 755.1640 2147.5399 1926.9686 104.4427 -206123.5453 17806.2650 0.0000 0.0000 34304.4679 -149078.6970 299.5895 -183383.1649 -148984.0087 298.9827 -81.1746 -47.5637 558312.1885 -4.1748 -4.0811 PRESSURE: 3382200 -188.6 11.4456 98.6009 11.4457 105.115 -155.814 98.6009 -155.813 -213.188 GPRESSURE: 3382200 -121.563 -71.7357 110.811 81.0119 85.6598 -89.9821 7.87506 -189.602 -162.754 PRESSAVG: 3382200 -3.16804 -11.6808 1.70487 -11.6809 19.0516 -7.78977 1.70487 -7.78987 10.53 GPRESSAVG: 3382200 -2.40378 -10.5624 1.79393 -12.4708 18.3903 -6.88527 3.29896 -7.98304 10.366 TIMING: 3382200 CPU: 10069.7, 0.00293378/step Wall: 10069.7, 0.00293378/step, 1.31841 hours remaining, 207.566406 MB of memory in use. ENERGY: 3382200 729.0869 2070.1966 1945.6723 111.3255 -205952.0016 17664.4930 0.0000 0.0000 34294.9083 -149136.3189 299.5060 -183431.2272 -149036.5757 299.2796 -98.8911 -66.2190 557488.7311 8.8045 8.7842 PRESSURE: 3382400 -126.364 121.643 -60.486 121.644 153.463 -172.738 -60.4863 -172.738 -23.9522 GPRESSURE: 3382400 -69.4826 133.01 -49.2454 99.5907 191.611 -206.471 -60.8122 -152.461 -21.4428 PRESSAVG: 3382400 9.964 -42.4942 37.9931 -42.4942 14.8805 -38.7911 37.9931 -38.7911 -0.68984 GPRESSAVG: 3382400 10.6533 -45.0293 37.7061 -42.1796 14.9881 -39.2853 35.509 -38.5649 -1.64521 TIMING: 3382400 CPU: 10070.3, 0.00293625/step Wall: 10070.3, 0.00293625/step, 1.31936 hours remaining, 207.566406 MB of memory in use. ENERGY: 3382400 726.8897 2087.1508 1950.0305 118.8856 -206181.4056 17873.6851 0.0000 0.0000 34311.6937 -149113.0702 299.6526 -183424.7639 -149017.6853 299.4291 1.0489 33.5620 556086.2914 8.0516 7.9987 PRESSURE: 3382600 -162.658 11.1742 -60.7622 11.1737 -89.4707 3.11866 -60.7629 3.11774 -159.482 GPRESSURE: 3382600 -129.237 19.9543 -126.144 8.1742 41.8956 43.0379 11.3258 3.87098 -223.395 PRESSAVG: 3382600 7.71912 -0.673701 24.7635 -0.673599 -1.10033 -29.971 24.7635 -29.9709 21.6574 GPRESSAVG: 3382600 5.87627 0.877207 24.6665 -0.911108 -0.771098 -27.8236 26.9694 -30.1172 23.1923 TIMING: 3382600 CPU: 10070.9, 0.00298163/step Wall: 10070.9, 0.00298163/step, 1.33958 hours remaining, 207.566406 MB of memory in use. ENERGY: 3382600 748.0188 2120.2617 1911.5940 111.9156 -205744.4202 17378.1251 0.0000 0.0000 34425.9436 -149048.5614 300.6503 -183474.5050 -148951.8330 299.5168 -137.2037 -103.5790 556330.8977 9.4254 9.4325 PRESSURE: 3382800 -250.734 36.2431 19.75 36.2431 15.0599 23.5187 19.7502 23.52 -168.412 GPRESSURE: 3382800 -252.743 47.3894 -43.7246 39.2048 101.128 100.82 30.4876 -40.6846 -155.096 PRESSAVG: 3382800 16.4035 20.6074 16.0266 20.6073 -15.0747 -45.5223 16.0267 -45.5223 -3.82944 GPRESSAVG: 3382800 16.1029 18.3055 15.4363 21.4635 -15.4214 -49.6292 14.0561 -46.5538 -3.06851 TIMING: 3382800 CPU: 10071.5, 0.0029452/step Wall: 10071.5, 0.0029452/step, 1.32305 hours remaining, 207.566406 MB of memory in use. ENERGY: 3382800 754.8338 2025.5888 1958.6050 104.4189 -205922.5205 17514.6166 0.0000 0.0000 34329.0521 -149235.4053 299.8042 -183564.4574 -149132.5354 299.9415 -134.6954 -102.2372 557103.2226 -0.8335 -0.7957 PRESSURE: 3383000 131.001 -77.1337 -47.8761 -77.1334 -323.004 111.987 -47.8746 111.986 -267.468 GPRESSURE: 3383000 128.804 -126.425 19.5297 -76.1372 -271.922 144.91 -74.5603 18.7075 -221.939 PRESSAVG: 3383000 -33.1583 -39.1628 -28.9441 -39.1628 -2.87195 57.8828 -28.944 57.8827 37.5457 GPRESSAVG: 3383000 -32.6789 -36.9334 -27.121 -40.3194 -2.98091 57.9717 -29.7591 59.1168 37.3273 TIMING: 3383000 CPU: 10072.1, 0.00294417/step Wall: 10072.1, 0.00294417/step, 1.32242 hours remaining, 207.566406 MB of memory in use. ENERGY: 3383000 783.9233 2113.9463 1947.1726 115.1893 -206086.0023 17651.5686 0.0000 0.0000 34286.1074 -149188.0948 299.4291 -183474.2022 -149083.5916 299.1271 -153.1571 -121.6855 557692.6801 0.5052 0.5558 PRESSURE: 3383200 172.579 0.856714 -38.4415 0.855788 222.826 119.823 -38.4413 119.824 121.9 GPRESSURE: 3383200 126.694 41.7062 -58.5399 -11.6767 230.639 144.418 29.2964 97.7822 249.984 PRESSAVG: 3383200 25.8981 -49.0453 44.7949 -49.0452 27.4498 62.3988 44.7949 62.3987 -2.77631 GPRESSAVG: 3383200 26.6169 -50.8063 44.1749 -47.9306 27.479 66.215 46.7507 60.4629 -3.19355 TIMING: 3383200 CPU: 10072.7, 0.00295183/step Wall: 10072.7, 0.00295183/step, 1.3257 hours remaining, 207.566406 MB of memory in use. ENERGY: 3383200 723.9778 2094.5959 1941.3529 121.1777 -206339.3099 18022.9164 0.0000 0.0000 34382.6901 -149052.5991 300.2726 -183435.2893 -148961.3955 299.7083 172.4349 202.4388 557260.2843 16.8572 16.9675 PRESSURE: 3383400 248.699 64.7854 -166.242 64.7855 133.217 131.332 -166.243 131.332 446.721 GPRESSURE: 3383400 287.683 47.828 -119.198 118.651 140.666 52.4095 -114.743 183.278 498.918 PRESSAVG: 3383400 -17.2768 -17.8256 -20.8644 -17.8257 62.3321 -14.0542 -20.8645 -14.0542 -28.6046 GPRESSAVG: 3383400 -17.1477 -17.8005 -20.2351 -17.9743 62.0081 -16.993 -21.0851 -13.2304 -27.8121 TIMING: 3383400 CPU: 10073.3, 0.00292995/step Wall: 10073.3, 0.00292995/step, 1.31571 hours remaining, 207.566406 MB of memory in use. ENERGY: 3383400 723.9251 2151.1710 1925.3249 115.0437 -206524.9869 18253.3874 0.0000 0.0000 34222.2783 -149133.8566 298.8717 -183356.1348 -149039.5159 299.5981 276.2125 309.0892 557589.8496 5.4835 5.6828 PRESSURE: 3383600 104.912 114.656 18.7014 114.656 149.654 -106.054 18.7003 -106.054 -62.6388 GPRESSURE: 3383600 128.336 179.167 49.609 128.48 190.951 -24.1894 57.5063 -117.007 -45.455 PRESSAVG: 3383600 73.5154 82.7355 -89.0299 82.7355 -5.04313 14.1689 -89.03 14.1688 -52.074 GPRESSAVG: 3383600 73.9152 83.4317 -90.7617 80.8963 -4.91881 15.8101 -87.9083 13.4417 -52.2696 TIMING: 3383600 CPU: 10073.9, 0.00294751/step Wall: 10073.9, 0.00294751/step, 1.32343 hours remaining, 207.566406 MB of memory in use. ENERGY: 3383600 751.5492 2141.7971 1902.5778 118.4057 -206460.3642 18043.7941 0.0000 0.0000 34407.4045 -149094.8358 300.4884 -183502.2403 -148997.3110 299.8409 63.9755 91.2772 558932.3536 5.4661 5.5756 PRESSURE: 3383800 -2.09925 34.7158 -115.507 34.7155 155.255 -39.3702 -115.506 -39.3695 206.218 GPRESSURE: 3383800 26.1793 51.1611 -139.367 8.39975 152.094 -17.7386 -141.362 -3.78309 273.755 PRESSAVG: 3383800 30.7258 54.2624 5.10744 54.2624 -23.7968 -0.892952 5.10746 -0.893043 12.0868 GPRESSAVG: 3383800 30.2162 52.4374 5.03214 54.3501 -23.6005 -2.93627 4.58564 1.05573 12.057 TIMING: 3383800 CPU: 10074.5, 0.00294203/step Wall: 10074.5, 0.00294203/step, 1.32081 hours remaining, 207.566406 MB of memory in use. ENERGY: 3383800 764.0955 2085.6430 1904.5308 106.0296 -206296.7844 17936.9067 0.0000 0.0000 34465.9733 -149033.6054 300.9999 -183499.5787 -148927.2234 300.2770 119.7912 150.6760 556832.5886 6.3386 6.2242 PRESSURE: 3384000 137.466 -21.2615 21.8551 -21.2606 311.464 -51.2722 21.8549 -51.2728 100.674 GPRESSURE: 3384000 119.599 -28.9608 18.7772 -64.4559 351.441 -115.89 21.1869 -75.3195 162.374 PRESSAVG: 3384000 -14.7218 46.9002 15.6446 46.9002 -19.495 -15.367 15.6447 -15.3671 30.1109 GPRESSAVG: 3384000 -14.7327 45.7002 16.5234 48.2933 -19.6756 -14.6425 13.7916 -15.0683 30.6344 TIMING: 3384000 CPU: 10075, 0.00294407/step Wall: 10075, 0.00294407/step, 1.32156 hours remaining, 207.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3384000 732.3454 2118.2286 1944.1735 108.4381 -206079.8595 17936.8295 0.0000 0.0000 34280.7141 -148959.1304 299.3820 -183239.8444 -148854.5779 300.3851 183.2014 211.1383 557705.3449 -1.3686 -1.2580 PRESSURE: 3384200 -161.146 134.13 117.104 134.13 23.7378 6.72826 117.104 6.72981 -133.163 GPRESSURE: 3384200 -94.351 103.141 -1.81682 120.269 94.4868 10.1339 229.29 42.5228 -177.085 PRESSAVG: 3384200 3.43058 -23.3186 8.20416 -23.3187 -18.7157 -59.0216 8.20414 -59.0217 -1.38237 GPRESSAVG: 3384200 3.72012 -21.0539 7.20337 -23.5289 -19.2492 -58.8162 9.67022 -62.0661 -1.65901 TIMING: 3384200 CPU: 10075.6, 0.00294752/step Wall: 10075.6, 0.00294752/step, 1.32295 hours remaining, 207.566406 MB of memory in use. ENERGY: 3384200 762.9242 2094.0515 1941.5173 107.3020 -205616.3335 17645.3718 0.0000 0.0000 34105.2930 -148959.8736 297.8500 -183065.1666 -148860.7484 300.3630 -90.1903 -58.9830 559221.0672 -5.5558 -5.7294 LDB: ============= START OF LOAD BALANCING ============== 10079.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10079.2 LDB: =============== DONE WITH MIGRATION ================ 10079.2 LDB: ============= START OF LOAD BALANCING ============== 10079.5 LDB: Largest compute 4772 load 0.025570 is 21.6% of average load 0.118241 LDB: Average compute 0.001716 is 1.5% of average load 0.118241 LDB: TIME 10079.5 LOAD: AVG 0.118241 MAX 0.196519 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.336 MB LDB: TIME 10079.5 LOAD: AVG 0.118241 MAX 0.196519 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.336 MB LDB: TIME 10079.5 LOAD: AVG 0.118241 MAX 0.196519 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.336 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10079.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10079.5 PRESSURE: 3384400 -33.5953 40.3361 -26.589 40.3366 -129.19 33.239 -26.588 33.2398 -43.5558 GPRESSURE: 3384400 -4.18555 89.7808 -70.7041 16.7559 -97.5519 75.9181 12.8073 50.1525 -12.853 PRESSAVG: 3384400 -74.4642 -1.33852 48.2426 -1.33862 15.7937 -53.0279 48.2426 -53.0279 50.2971 GPRESSAVG: 3384400 -75.823 -2.54121 48.3285 -1.47954 16.9624 -53.7436 48.399 -50.6012 51.0499 TIMING: 3384400 CPU: 10076.2, 0.00298614/step Wall: 10076.2, 0.00298614/step, 1.34011 hours remaining, 206.542969 MB of memory in use. ENERGY: 3384400 753.4302 2146.8252 1964.9642 111.5736 -206175.2624 17956.0206 0.0000 0.0000 34216.0896 -149026.3590 298.8176 -183242.4486 -148930.4348 299.6471 -68.7805 -38.1968 558380.3267 -2.7911 -2.6035 PRESSURE: 3384600 -308.095 -136.855 142.546 -136.856 -27.9907 -160.956 142.546 -160.956 -155.819 GPRESSURE: 3384600 -245.829 -246.912 119.782 -106.788 -54.6672 -40.3398 109.53 -188.003 -100.937 PRESSAVG: 3384600 -55.2465 7.3441 63.0601 7.34417 10.1105 -30.8913 63.0601 -30.8913 5.4541 GPRESSAVG: 3384600 -54.2744 9.22545 63.4113 5.81486 10.4268 -29.2216 60.8134 -31.7749 5.21937 TIMING: 3384600 CPU: 10076.8, 0.00293911/step Wall: 10076.8, 0.00293911/step, 1.31884 hours remaining, 206.542969 MB of memory in use. ENERGY: 3384600 770.3998 2098.6173 1910.3623 139.4196 -206161.7442 17715.8820 0.0000 0.0000 34321.6335 -149205.4296 299.7394 -183527.0632 -149106.9725 299.8975 -163.9681 -133.8112 559032.2010 -13.2273 -12.8761 PRESSURE: 3384800 -28.0611 188.028 23.684 188.027 -166.315 -119.562 23.6849 -119.563 -49.3447 GPRESSURE: 3384800 -1.24582 146.587 -23.1589 213.534 -138.738 -88.7785 38.9202 -102.835 -2.29946 PRESSAVG: 3384800 -12.8596 46.9395 36.2991 46.9395 -30.3368 -0.76308 36.299 -0.763062 13.2447 GPRESSAVG: 3384800 -13.9849 47.1489 35.6216 48.1274 -29.5854 -3.48992 39.388 0.111483 13.6552 TIMING: 3384800 CPU: 10077.4, 0.00293384/step Wall: 10077.4, 0.00293384/step, 1.31632 hours remaining, 206.542969 MB of memory in use. ENERGY: 3384800 727.3181 2071.1159 1949.3161 126.7667 -205875.8042 17741.6249 0.0000 0.0000 34136.0818 -149123.5807 298.1189 -183259.6625 -149027.0790 299.3789 -81.2402 -47.4278 558552.5179 -9.9839 -9.9717 PRESSURE: 3385000 -200.378 149.023 -132.208 149.022 -153.974 -171.381 -132.208 -171.383 -207.339 GPRESSURE: 3385000 -162.155 295.458 -159.186 102.534 -116.623 -164.015 -19.5437 -170.484 -184.695 PRESSAVG: 3385000 -3.10586 30.7042 19.3474 30.7042 12.3578 16.4064 19.3474 16.4064 48.4423 GPRESSAVG: 3385000 -2.52747 30.4553 21.7372 30.3933 11.6112 17.7514 18.0253 15.7041 48.3543 TIMING: 3385000 CPU: 10078, 0.00292108/step Wall: 10078, 0.00292108/step, 1.31043 hours remaining, 206.542969 MB of memory in use. ENERGY: 3385000 748.8532 2114.7385 1934.0635 111.3204 -205547.1927 17454.7383 0.0000 0.0000 34233.2546 -148950.2241 298.9675 -183183.4788 -148859.1504 300.2409 -187.2303 -154.4913 557042.3795 19.2314 19.1460 PRESSURE: 3385200 -191.094 -19.9426 -176.6 -19.9429 -228.975 -67.6877 -176.599 -67.687 -308.023 GPRESSURE: 3385200 -151.99 -96.6673 -210.785 56.2029 -174.835 -74.739 -132.137 -141.229 -309.511 PRESSAVG: 3385200 -30.1444 79.7253 -45.1885 79.7252 -4.54189 -54.421 -45.1884 -54.421 33.4519 GPRESSAVG: 3385200 -30.9072 77.9303 -44.9783 81.3889 -3.85461 -56.3033 -46.2595 -51.9448 33.5878 TIMING: 3385200 CPU: 10078.6, 0.00290073/step Wall: 10078.6, 0.00290073/step, 1.30114 hours remaining, 206.542969 MB of memory in use. ENERGY: 3385200 754.0362 2131.3186 1949.8750 112.5424 -205763.0870 17509.1656 0.0000 0.0000 34465.7914 -148840.3576 300.9983 -183306.1490 -148737.7251 300.1690 -242.6973 -212.1120 558806.9672 -0.4115 -0.3913 PRESSURE: 3385400 -238.935 82.4437 33.5986 82.443 -355.293 -239.155 33.5985 -239.155 -144.745 GPRESSURE: 3385400 -220.989 58.2362 45.4645 105.121 -294.74 -202.222 21.3925 -244.6 -125.618 PRESSAVG: 3385400 1.33651 16.6573 3.6691 16.6572 41.0411 -116.826 3.66912 -116.826 -77.2811 GPRESSAVG: 3385400 1.89045 17.9449 -0.0953934 17.3185 41.6381 -112.864 4.63272 -117.909 -78.0799 TIMING: 3385400 CPU: 10079.2, 0.00291205/step Wall: 10079.2, 0.00291205/step, 1.30605 hours remaining, 206.542969 MB of memory in use. ENERGY: 3385400 783.1747 2154.5582 1958.3961 120.4975 -205638.2710 17494.7751 0.0000 0.0000 34262.6172 -148864.2521 299.2240 -183126.8694 -148764.4091 300.5535 -246.3247 -213.7823 559841.2357 -11.6345 -11.5171 PRESSURE: 3385600 -40.4072 65.5413 121.015 65.542 168.79 -135.344 121.016 -135.344 10.4781 GPRESSURE: 3385600 -19.8263 54.6072 154.465 4.64469 208.514 -169.725 57.737 -135.435 29.9307 PRESSAVG: 3385600 7.38523 -13.1616 35.2944 -13.1615 -38.5865 0.0507113 35.2944 0.0505524 23.4295 GPRESSAVG: 3385600 6.54971 -12.6943 37.5383 -14.8106 -38.8549 -2.52203 36.1385 0.0156919 24.9756 TIMING: 3385600 CPU: 10079.7, 0.00292547/step Wall: 10079.7, 0.00292547/step, 1.31191 hours remaining, 206.542969 MB of memory in use. ENERGY: 3385600 742.0133 2123.4260 1943.2055 101.3478 -206028.6238 17816.8892 0.0000 0.0000 34557.5337 -148744.2082 301.7995 -183301.7420 -148646.7846 300.6377 46.2870 72.8729 558903.4120 -2.5906 -2.4432 PRESSURE: 3385800 57.1148 -133.539 -37.9077 -133.539 83.0747 97.7644 -37.9062 97.7648 -65.3668 GPRESSURE: 3385800 119.575 -122.39 -28.0767 -150.844 122.488 3.86847 -56.5754 88.0541 -62.3569 PRESSAVG: 3385800 -52.6627 -20.1878 -10.9969 -20.1879 23.468 65.8931 -10.9969 65.8931 78.6622 GPRESSAVG: 3385800 -51.7535 -22.2624 -9.37435 -18.9245 23.1454 65.9144 -12.1172 65.5756 77.9166 TIMING: 3385800 CPU: 10080.3, 0.00294532/step Wall: 10080.3, 0.00294532/step, 1.32065 hours remaining, 206.542969 MB of memory in use. ENERGY: 3385800 730.9399 2103.8710 1927.2427 132.0918 -205709.6624 17797.8901 0.0000 0.0000 34275.7325 -148741.8944 299.3385 -183017.6269 -148638.0866 300.4614 24.9409 59.9020 559499.6065 16.4892 16.4362 PRESSURE: 3386000 -49.6234 81.6718 -17.3595 81.6721 112.402 127.063 -17.3599 127.063 -72.3606 GPRESSURE: 3386000 -25.5769 103.631 -18.592 77.9529 136.516 53.7999 -86.9334 59.0814 -9.67561 PRESSAVG: 3386000 -11.6933 -23.3803 -68.7673 -23.3803 -71.1449 31.5038 -68.7673 31.5037 68.9482 GPRESSAVG: 3386000 -12.747 -22.1402 -72.1492 -25.1283 -70.6546 28.8897 -66.1256 32.0998 69.8157 TIMING: 3386000 CPU: 10080.9, 0.00293356/step Wall: 10080.9, 0.00293356/step, 1.31521 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3386000 715.1268 2090.7288 1903.5583 117.3027 -205682.1716 17619.3157 0.0000 0.0000 34534.1196 -148702.0197 301.5951 -183236.1393 -148610.0815 299.8966 -3.1939 33.7545 558292.0235 -4.6300 -4.5286 PRESSURE: 3386200 117.16 179.516 98.5702 179.517 -81.5488 -132.836 98.5702 -132.835 144.542 GPRESSURE: 3386200 141.628 260.34 35.7259 136.605 9.09985 -143.977 124.479 -115.075 128.973 PRESSAVG: 3386200 -63.8285 -25.6842 9.0333 -25.6843 10.7422 16.3896 9.03325 16.3896 74.9363 GPRESSAVG: 3386200 -63.4255 -25.9424 10.8056 -25.7252 11.3621 19.3065 6.70938 14.7571 74.3802 TIMING: 3386200 CPU: 10081.5, 0.00295511/step Wall: 10081.5, 0.00295511/step, 1.32471 hours remaining, 206.542969 MB of memory in use. ENERGY: 3386200 739.6278 2114.4487 1931.0704 118.5256 -206102.0487 18122.0397 0.0000 0.0000 34258.6585 -148817.6781 299.1894 -183076.3365 -148730.3223 301.0821 60.0510 93.2337 558878.3387 7.2834 7.4390 PRESSURE: 3386400 -167.953 -82.5629 169.903 -82.562 -160.788 -156.54 169.904 -156.542 -160.986 GPRESSURE: 3386400 -123.709 -0.414985 135.43 -133.709 -129.805 -107.79 199.061 -220.922 -133.935 PRESSAVG: 3386400 -36.0565 32.0572 1.05022 32.0571 -15.9882 -23.427 1.05008 -23.4269 40.177 GPRESSAVG: 3386400 -35.4424 33.1297 1.83071 32.2867 -17.2745 -23.2388 0.717574 -23.6664 40.7023 TIMING: 3386400 CPU: 10082.1, 0.00297354/step Wall: 10082.1, 0.00297354/step, 1.33281 hours remaining, 206.542969 MB of memory in use. ENERGY: 3386400 694.4765 2153.9286 1951.6175 114.3413 -205204.3390 17276.6642 0.0000 0.0000 34278.5377 -148734.7733 299.3630 -183013.3110 -148641.7680 300.3210 -163.2425 -129.1496 558576.7042 -3.9559 -4.0049 PRESSURE: 3386600 -120.246 -32.0179 -50.5808 -32.0184 98.1199 -41.8168 -50.5814 -41.8165 162.674 GPRESSURE: 3386600 -61.7946 -57.927 19.6862 -24.0497 118.239 42.4151 -121.737 -53.6025 169.289 PRESSAVG: 3386600 -13.0032 -6.48975 0.334537 -6.48977 -10.7073 -23.6238 0.334467 -23.6237 43.8542 GPRESSAVG: 3386600 -12.6192 -5.16685 1.08212 -6.57384 -9.66022 -24.487 0.548313 -23.9302 43.1869 TIMING: 3386600 CPU: 10082.7, 0.00298532/step Wall: 10082.7, 0.00298532/step, 1.33792 hours remaining, 206.542969 MB of memory in use. ENERGY: 3386600 703.6717 2198.9943 1920.4499 105.4694 -205704.7440 17615.5992 0.0000 0.0000 34708.8063 -148451.7532 303.1206 -183160.5595 -148351.3900 301.1522 46.8495 75.2447 557037.4137 6.7146 6.9692 PRESSURE: 3386800 -91.2603 -163.261 -18.2036 -163.261 291.799 122.214 -18.203 122.215 18.2849 GPRESSURE: 3386800 -70.3379 -125.121 65.1372 -194.926 302.291 81.5102 -60.7233 71.2532 81.208 PRESSAVG: 3386800 -7.58099 -20.9388 -2.47884 -20.9388 -21.9532 14.2024 -2.47886 14.2025 -9.63468 GPRESSAVG: 3386800 -7.8702 -22.1467 -4.61436 -21.2115 -22.0065 13.2269 -0.78599 15.2019 -9.68672 TIMING: 3386800 CPU: 10083.3, 0.00299845/step Wall: 10083.3, 0.00299845/step, 1.34364 hours remaining, 206.542969 MB of memory in use. ENERGY: 3386800 734.9270 2118.0023 1917.6420 110.3875 -206050.2910 17962.0532 0.0000 0.0000 34775.8121 -148431.4670 303.7058 -183207.2791 -148330.5303 301.6973 72.9412 104.3871 557394.5289 -13.0563 -13.1878 PRESSURE: 3387000 29.0099 -119.78 -150.172 -119.781 5.72876 9.58331 -150.171 9.58277 -63.6007 GPRESSURE: 3387000 99.4948 -134.615 -128.707 -160.466 23.8156 -23.3365 -120.165 -23.3528 -55.5969 PRESSAVG: 3387000 -12.2977 -41.3889 7.54481 -41.3889 42.0931 28.1965 7.54478 28.1964 36.2019 GPRESSAVG: 3387000 -12.1231 -41.8243 10.9484 -40.2558 41.6592 29.6397 3.57233 26.5777 36.1188 TIMING: 3387000 CPU: 10083.9, 0.00296755/step Wall: 10083.9, 0.00296755/step, 1.32963 hours remaining, 206.542969 MB of memory in use. ENERGY: 3387000 765.3325 2119.2873 1954.5982 113.9808 -205633.6173 17811.0234 0.0000 0.0000 34366.3755 -148503.0196 300.1301 -182869.3951 -148405.1291 301.3610 -9.6207 22.5712 557369.6242 21.9991 21.8850 PRESSURE: 3387200 285.179 -54.7512 91.0456 -54.7524 -101.321 19.6345 91.0457 19.6336 34.8501 GPRESSURE: 3387200 292.089 -5.66183 130.58 -41.3554 -37.7193 -38.4398 115.006 59.1476 73.3429 PRESSAVG: 3387200 -47.3705 -10.1494 -18.3726 -10.1494 26.9268 40.0727 -18.3727 40.0727 10.9201 GPRESSAVG: 3387200 -47.8134 -11.1319 -20.0653 -11.0351 28.2291 40.6125 -15.9585 42.1143 10.206 TIMING: 3387200 CPU: 10084.5, 0.00297607/step Wall: 10084.5, 0.00297607/step, 1.33328 hours remaining, 206.542969 MB of memory in use. ENERGY: 3387200 734.4840 2113.6506 1919.7863 109.2162 -205599.1765 17808.4779 0.0000 0.0000 34356.3059 -148557.2557 300.0422 -182913.5616 -148461.2516 300.9958 72.9027 109.2375 557106.4139 -3.1745 -3.1261 PRESSURE: 3387400 249.186 -123.074 161.802 -123.074 71.6261 -22.148 161.801 -22.1492 214.448 GPRESSURE: 3387400 218.437 -62.7058 102.672 -107.345 131.618 -30.5975 175.746 -65.3348 298.182 PRESSAVG: 3387400 17.1781 -55.0162 28.1285 -55.0162 8.78583 -22.9994 28.1285 -22.9993 -19.8058 GPRESSAVG: 3387400 17.0801 -53.1313 27.1367 -55.989 7.61377 -25.593 28.2077 -22.0174 -19.3651 TIMING: 3387400 CPU: 10085.1, 0.00296725/step Wall: 10085.1, 0.00296725/step, 1.32916 hours remaining, 206.542969 MB of memory in use. ENERGY: 3387400 710.7310 2059.6233 1897.0253 105.3501 -205919.0886 18046.8526 0.0000 0.0000 34416.6030 -148682.9033 300.5688 -183099.5063 -148587.5327 300.7917 178.4199 216.0791 556999.2790 2.0527 1.7763 PRESSURE: 3387600 -20.1276 -197.812 4.36996 -197.813 -71.92 -12.8068 4.36974 -12.806 70.6363 GPRESSURE: 3387600 8.86769 -197.457 4.32945 -243.752 -9.42772 -77.214 -8.62702 -21.5423 86.8798 PRESSAVG: 3387600 -32.58 -26.1332 -9.72542 -26.1333 29.6194 14.8483 -9.72537 14.8484 4.43393 GPRESSAVG: 3387600 -33.2116 -27.64 -6.52287 -24.5015 30.1315 14.7502 -9.10708 13.8986 4.42317 TIMING: 3387600 CPU: 10085.7, 0.00295897/step Wall: 10085.7, 0.00295897/step, 1.32529 hours remaining, 206.542969 MB of memory in use. ENERGY: 3387600 740.2534 2102.8815 1929.2929 117.8353 -205588.4872 17673.0317 0.0000 0.0000 34240.2055 -148784.9868 299.0282 -183025.1923 -148695.2328 299.9654 -7.1371 28.7733 558025.2301 0.4911 0.4477 PRESSURE: 3387800 108.525 116.646 -11.0187 116.648 112.425 44.9739 -11.0194 44.9735 -4.10285 GPRESSURE: 3387800 151.194 85.9916 72.2277 125.042 132.29 34.3808 1.60611 67.0012 40.444 PRESSAVG: 3387800 38.4365 -67.2718 -12.641 -67.2719 18.4686 51.142 -12.6409 51.1421 -39.335 GPRESSAVG: 3387800 39.3113 -67.7044 -15.525 -68.1684 17.8233 52.1386 -13.0406 51.4978 -39.6199 TIMING: 3387800 CPU: 10086.3, 0.00295137/step Wall: 10086.3, 0.00295137/step, 1.32172 hours remaining, 206.542969 MB of memory in use. ENERGY: 3387800 708.3823 2103.5190 1931.6065 128.2640 -205908.1996 17868.8002 0.0000 0.0000 34327.9353 -148839.6924 299.7944 -183167.6276 -148743.5460 299.8678 72.2823 107.9762 558195.2123 5.8567 5.8382 PRESSURE: 3388000 -39.7781 -16.0108 41.325 -16.0102 3.98958 188.323 41.326 188.323 206.043 GPRESSURE: 3388000 -57.8247 -14.5502 73.0205 19.9409 43.7022 172.607 -20.1594 208.251 271.495 PRESSAVG: 3388000 -21.9753 16.7932 -9.8739 16.7931 5.81945 78.779 -9.87389 78.779 55.9522 GPRESSAVG: 3388000 -22.0275 15.8553 -10.6693 16.8035 6.77769 78.5515 -9.42036 79.3551 55.175 TIMING: 3388000 CPU: 10086.9, 0.00295424/step Wall: 10086.9, 0.00295424/step, 1.32284 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3388000 699.8879 2088.5141 1951.6641 124.7717 -205708.8127 17658.8838 0.0000 0.0000 34368.6207 -148816.4705 300.1497 -183185.0912 -148722.6135 300.3008 56.7515 85.7910 556930.1732 13.2655 13.3084 PRESSURE: 3388200 23.7331 79.7851 28.7117 79.7849 72.878 -134.626 28.7107 -134.625 -1.66322 GPRESSURE: 3388200 34.3845 121.216 -6.05664 73.5343 87.5683 -187.699 -15.0518 -116.243 55.9824 PRESSAVG: 3388200 -3.80065 0.476625 -12.4797 0.476605 -38.2053 14.978 -12.4797 14.9781 53.82 GPRESSAVG: 3388200 -3.53568 2.27215 -11.4913 1.32274 -38.8208 15.2845 -12.5881 14.6066 54.2228 TIMING: 3388200 CPU: 10087.4, 0.0029647/step Wall: 10087.4, 0.0029647/step, 1.32736 hours remaining, 206.542969 MB of memory in use. ENERGY: 3388200 753.7432 2078.8274 1933.8777 109.6817 -206152.7733 17844.7104 0.0000 0.0000 34525.9906 -148905.9423 301.5241 -183431.9329 -148813.9132 300.9461 31.6493 59.3117 557326.8985 3.9380 3.9554 LDB: ============= START OF LOAD BALANCING ============== 10091 LDB: ============== END OF LOAD BALANCING =============== 10091 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10091 LDB: ============= START OF LOAD BALANCING ============== 10091.3 LDB: Largest compute 4772 load 0.027371 is 23.2% of average load 0.118165 LDB: Average compute 0.001717 is 1.5% of average load 0.118165 LDB: TIME 10091.3 LOAD: AVG 0.118165 MAX 0.199256 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.086 MB LDB: TIME 10091.3 LOAD: AVG 0.118165 MAX 0.199256 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.086 MB LDB: TIME 10091.3 LOAD: AVG 0.118165 MAX 0.199256 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.086 MB LDB: ============== END OF LOAD BALANCING =============== 10091.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10091.3 PRESSURE: 3388400 -214.663 -35.9259 36.941 -35.926 -8.85462 92.5195 36.9402 92.5193 -48.4624 GPRESSURE: 3388400 -232.319 5.08798 53.5849 -80.4048 0.776257 77.4352 -11.7456 81.8401 64.4405 PRESSAVG: 3388400 2.68122 40.0853 54.2723 40.0853 8.62219 -36.1507 54.2723 -36.1506 -1.34331 GPRESSAVG: 3388400 3.37207 37.4555 54.3121 41.8518 7.79644 -35.4567 52.8437 -35.0033 -1.1119 TIMING: 3388400 CPU: 10088.1, 0.00302861/step Wall: 10088.1, 0.00302861/step, 1.35581 hours remaining, 207.054688 MB of memory in use. ENERGY: 3388400 773.6431 2070.4456 1946.7000 117.5378 -205830.0273 17666.6385 0.0000 0.0000 34300.8238 -148954.2385 299.5576 -183255.0623 -148858.4014 300.4067 -90.6600 -55.7006 558215.3917 3.3200 3.3522 PRESSURE: 3388600 -254.544 107.921 46.8235 107.921 176.917 -88.0392 46.8238 -88.0383 -312.843 GPRESSURE: 3388600 -245.187 34.54 87.7196 167.14 192.718 -65.6827 62.7984 -46.5961 -242.345 PRESSAVG: 3388600 -7.71434 -35.5649 25.1367 -35.5648 49.9462 3.80987 25.1367 3.80996 -8.36778 GPRESSAVG: 3388600 -8.25337 -33.7046 25.42 -37.8503 50.6492 3.01843 27.0598 2.69494 -7.90523 TIMING: 3388600 CPU: 10088.6, 0.00296791/step Wall: 10088.6, 0.00296791/step, 1.32847 hours remaining, 207.054688 MB of memory in use. ENERGY: 3388600 728.5181 2083.4156 1937.2988 111.1929 -205530.5219 17556.2281 0.0000 0.0000 34116.5280 -148997.3404 297.9481 -183113.8684 -148899.1298 300.0852 -130.1568 -98.2714 558396.5323 11.2880 11.4969 PRESSURE: 3388800 -120.247 12.727 -47.6934 12.7269 54.1982 -196.946 -47.6942 -196.948 -103.268 GPRESSURE: 3388800 -50.3277 57.4563 -74.9453 -18.833 84.1277 -214.503 22.7443 -136.28 -102.345 PRESSAVG: 3388800 -40.9913 -39.1645 -24.4782 -39.1646 35.1253 10.5726 -24.4784 10.5726 1.6298 GPRESSAVG: 3388800 -41.3668 -37.8236 -24.679 -38.2021 34.4492 13.8181 -27.5054 8.35008 2.64985 TIMING: 3388800 CPU: 10089.2, 0.00295507/step Wall: 10089.2, 0.00295507/step, 1.32256 hours remaining, 207.054688 MB of memory in use. ENERGY: 3388800 763.7402 2110.2864 1941.0148 100.0122 -205935.1079 17784.4005 0.0000 0.0000 34170.5826 -149065.0711 298.4202 -183235.6537 -148968.3352 299.6538 -56.4388 -22.8483 557478.7020 -1.4121 -1.4226 PRESSURE: 3389000 -103.654 145.991 -57.6637 145.992 199.278 93.4538 -57.6644 93.4527 132.995 GPRESSURE: 3389000 -57.5326 118.752 -96.252 218.662 252.687 103.297 17.8662 59.4775 131.047 PRESSAVG: 3389000 4.03236 -30.5434 -30.5572 -30.5434 63.0855 -18.898 -30.5573 -18.898 -68.7916 GPRESSAVG: 3389000 3.62814 -31.0552 -30.7719 -29.4602 63.8065 -23.1784 -28.0825 -14.3881 -69.5582 TIMING: 3389000 CPU: 10089.8, 0.00296778/step Wall: 10089.8, 0.00296778/step, 1.32808 hours remaining, 207.054688 MB of memory in use. ENERGY: 3389000 731.7906 2050.0090 1928.2076 111.9967 -206238.2711 17800.9278 0.0000 0.0000 34431.0507 -149184.2887 300.6949 -183615.3394 -149087.7214 299.1396 76.2060 108.7339 556395.8047 -0.5579 -0.7078 PRESSURE: 3389200 -46.7424 -22.5086 -131.445 -22.509 -11.4736 116.76 -131.446 116.761 -107.3 GPRESSURE: 3389200 57.356 51.5258 -118.585 -173.249 -18.4127 134.323 -153.891 103.977 -107.94 PRESSAVG: 3389200 40.7639 -27.1231 -47.5756 -27.1231 57.178 -22.153 -47.5756 -22.153 -56.813 GPRESSAVG: 3389200 41.7486 -27.2045 -47.1366 -29.9215 56.3229 -22.0699 -46.7922 -23.5443 -56.7375 TIMING: 3389200 CPU: 10090.4, 0.00294342/step Wall: 10090.4, 0.00294342/step, 1.31702 hours remaining, 207.054688 MB of memory in use. ENERGY: 3389200 723.1006 2093.9138 1943.9368 109.6053 -206011.8859 17728.2568 0.0000 0.0000 34108.5696 -149304.5030 297.8786 -183413.0726 -149209.2126 299.6258 -55.1722 -22.9989 558676.0559 13.7096 13.7780 PRESSURE: 3389400 118.025 -119.748 -104.633 -119.749 115.293 21.1627 -104.634 21.163 -314.932 GPRESSURE: 3389400 73.0452 -170.247 -159.835 -64.1611 188.989 104.674 -87.9143 30.0803 -243.74 PRESSAVG: 3389400 -1.5628 -43.8889 -76.8865 -43.8889 2.27227 33.4489 -76.8865 33.449 -13.135 GPRESSAVG: 3389400 -2.70575 -44.8322 -76.949 -41.3356 3.03319 35.6909 -79.4468 32.5901 -13.1895 TIMING: 3389400 CPU: 10091, 0.00292612/step Wall: 10091, 0.00292612/step, 1.30911 hours remaining, 207.054688 MB of memory in use. ENERGY: 3389400 776.2263 2082.8642 1948.1482 119.4933 -206516.7671 18112.8661 0.0000 0.0000 34056.3729 -149420.7962 297.4228 -183477.1690 -149330.1289 298.5304 -27.2043 6.0982 558471.3610 -4.1418 -4.2873 PRESSURE: 3389600 -8.42548 43.8603 -8.97118 43.8602 -39.827 122.65 -8.97123 122.65 -216.743 GPRESSURE: 3389600 22.7353 -41.3705 66.5148 93.3483 -28.6699 79.7107 -38.3468 127.772 -175.592 PRESSAVG: 3389600 47.5978 -89.1106 -23.6832 -89.1106 -35.3057 13.7641 -23.6831 13.7642 -84.5864 GPRESSAVG: 3389600 48.493 -89.2848 -22.8464 -91.5921 -35.8967 11.5576 -21.2529 15.5928 -85.6996 TIMING: 3389600 CPU: 10091.6, 0.00293613/step Wall: 10091.6, 0.00293613/step, 1.31343 hours remaining, 207.054688 MB of memory in use. ENERGY: 3389600 753.8637 2105.3770 1920.1461 107.6081 -206200.4127 17908.1164 0.0000 0.0000 34173.3191 -149231.9822 298.4441 -183405.3013 -149141.0723 299.2370 -88.3320 -60.5090 560665.4695 -24.0981 -24.3677 PRESSURE: 3389800 159.012 117.587 142.078 117.587 72.3985 -113.18 142.079 -113.18 -199.554 GPRESSURE: 3389800 190.254 124.723 120.598 -7.93138 140.4 -36.5667 186.471 -129.275 -211.142 PRESSAVG: 3389800 100.775 -59.2844 21.4728 -59.2844 -62.3102 -8.03153 21.4728 -8.03157 -11.6501 GPRESSAVG: 3389800 99.6566 -58.5161 21.1221 -58.1226 -60.8971 -4.87114 22.0427 -9.65477 -11.9106 TIMING: 3389800 CPU: 10092.2, 0.00294869/step Wall: 10092.2, 0.00294869/step, 1.31888 hours remaining, 207.054688 MB of memory in use. ENERGY: 3389800 752.0366 2107.4124 1937.9616 104.0042 -206027.3945 17691.3370 0.0000 0.0000 34281.6339 -149153.0087 299.3900 -183434.6427 -149057.6049 299.0727 10.6186 39.8371 558885.0963 8.9381 8.9496 PRESSURE: 3390000 -27.9928 -86.0195 10.7871 -86.0209 194.934 75.943 10.7879 75.944 64.2502 GPRESSURE: 3390000 18.4503 -15.5539 89.4354 -36.6488 250.914 66.595 -30.1237 121.964 50.8722 PRESSAVG: 3390000 73.2141 -6.75609 12.7729 -6.75609 44.4331 6.66566 12.7729 6.66572 -49.9977 GPRESSAVG: 3390000 72.7625 -7.12266 13.2106 -7.0705 43.9304 6.22409 10.695 6.54579 -49.4589 TIMING: 3390000 CPU: 10092.8, 0.00294521/step Wall: 10092.8, 0.00294521/step, 1.31716 hours remaining, 207.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3390000 792.7632 2088.0366 1909.2557 100.9943 -206303.6332 17956.0806 0.0000 0.0000 34335.7527 -149120.7500 299.8627 -183456.5028 -149027.2467 299.7190 77.0638 106.7454 556741.2597 22.5498 22.4113 PRESSURE: 3390200 -210.691 49.5589 -38.1296 49.5592 69.6344 12.8625 -38.1294 12.8631 20.213 GPRESSURE: 3390200 -135.757 55.9861 -7.01264 13.5518 82.1235 3.34744 -96.0538 33.7005 37.3967 PRESSAVG: 3390200 -13.4039 -25.9224 18.9497 -25.9224 0.240162 -0.272812 18.9497 -0.272844 2.00105 GPRESSAVG: 3390200 -13.0681 -25.0663 19.7218 -26.5974 0.173716 0.377325 20.1716 -2.46576 1.25233 TIMING: 3390200 CPU: 10093.4, 0.00296542/step Wall: 10093.4, 0.00296542/step, 1.32604 hours remaining, 207.054688 MB of memory in use. ENERGY: 3390200 738.9149 2128.9006 1935.4544 114.3359 -205923.6064 17666.4580 0.0000 0.0000 34277.6891 -149061.8535 299.3556 -183339.5426 -148965.3306 299.6497 -40.2810 -5.4123 557043.3265 -3.7209 -3.8807 PRESSURE: 3390400 -251.845 51.1106 30.3671 51.1097 -84.4423 25.616 30.3667 25.6174 55.1419 GPRESSURE: 3390400 -208.26 84.3286 -13.2071 117.737 -34.2458 48.5584 6.29341 -36.3145 72.8028 PRESSAVG: 3390400 -36.8651 -36.6416 -26.9405 -36.6417 50.8194 33.9215 -26.9406 33.9215 -20.1316 GPRESSAVG: 3390400 -36.9971 -36.334 -27.6404 -35.3887 50.5766 32.5315 -28.8816 34.6338 -20.149 TIMING: 3390400 CPU: 10094, 0.00294949/step Wall: 10094, 0.00294949/step, 1.31875 hours remaining, 207.054688 MB of memory in use. ENERGY: 3390400 765.0485 2107.2198 1952.8443 104.1644 -206045.6014 17734.0935 0.0000 0.0000 34334.0651 -149048.1658 299.8479 -183382.2309 -148948.5532 300.0794 -93.7150 -56.5676 556617.1356 -2.0591 -2.1898 PRESSURE: 3390600 -130.113 -143.682 173.72 -143.684 -197.747 108.926 173.721 108.926 -268.144 GPRESSURE: 3390600 -112.2 -110.429 135.122 -92.2836 -173.558 114.688 124.517 78.254 -222.157 PRESSAVG: 3390600 -24.6809 -18.4307 7.10885 -18.4306 14.4142 -5.03726 7.10896 -5.03727 -8.32471 GPRESSAVG: 3390600 -24.2714 -20.5656 6.75686 -17.6772 13.733 -3.68917 7.50291 -3.14565 -7.83816 TIMING: 3390600 CPU: 10094.5, 0.0029443/step Wall: 10094.5, 0.0029443/step, 1.31626 hours remaining, 207.054688 MB of memory in use. ENERGY: 3390600 759.7952 2161.2696 1915.8626 111.3633 -205758.3503 17446.7886 0.0000 0.0000 34412.7526 -148950.5183 300.5351 -183363.2709 -148857.5611 300.0767 -198.6678 -169.3050 558153.1666 -6.1971 -6.1255 PRESSURE: 3390800 -201.074 -107.21 105.504 -107.211 15.0654 -18.7408 105.505 -18.7394 -53.8154 GPRESSURE: 3390800 -172.258 -65.4793 152.998 -167.437 70.1231 -43.9409 84.7575 91.5801 -44.2272 PRESSAVG: 3390800 33.6069 -36.0992 -28.7843 -36.0992 15.6644 18.0753 -28.7842 18.0752 -6.4698 GPRESSAVG: 3390800 32.1793 -33.7315 -28.0683 -37.818 16.4713 17.4886 -28.0822 17.1584 -5.76548 TIMING: 3390800 CPU: 10095.1, 0.00295307/step Wall: 10095.1, 0.00295307/step, 1.32002 hours remaining, 207.054688 MB of memory in use. ENERGY: 3390800 738.7135 2071.5145 1946.2132 107.1135 -206224.4027 17821.0147 0.0000 0.0000 34434.8298 -149105.0035 300.7279 -183539.8333 -149004.4031 300.1631 -79.9414 -48.7875 556449.6635 14.2672 14.2950 PRESSURE: 3391000 -249.114 -115.554 45.6963 -115.555 -274.294 -146.002 45.6968 -146.002 43.1992 GPRESSURE: 3391000 -169.316 -89.2826 141.992 -67.6581 -252.068 -171.031 -36.4248 -62.3438 39.1464 PRESSAVG: 3391000 -53.1057 -28.5099 15.998 -28.5098 5.67173 -12.769 15.9981 -12.7689 23.0265 GPRESSAVG: 3391000 -52.0095 -29.7295 15.4226 -29.8864 5.84836 -11.4884 15.6827 -13.1079 22.1112 TIMING: 3391000 CPU: 10095.7, 0.00293169/step Wall: 10095.7, 0.00293169/step, 1.3103 hours remaining, 207.054688 MB of memory in use. ENERGY: 3391000 741.3198 2103.2853 1928.8632 113.7338 -205559.2382 17299.6978 0.0000 0.0000 34366.7715 -149005.5667 300.1336 -183372.3382 -148914.7360 300.1896 -160.0697 -127.4125 557403.1765 -8.1358 -8.0166 PRESSURE: 3391200 52.843 116.047 -66.5778 116.047 136.457 73.4785 -66.5787 73.4772 -133.898 GPRESSURE: 3391200 4.10558 105.841 -110.74 167.694 181.84 13.4558 -64.6195 68.6966 -31.591 PRESSAVG: 3391200 -117.83 77.5934 -11.6111 77.5932 63.4806 -19.6904 -11.6111 -19.6905 14.7819 GPRESSAVG: 3391200 -117.942 78.4757 -12.3465 79.9472 64.0949 -19.5661 -10.0807 -19.9252 13.8293 TIMING: 3391200 CPU: 10096.3, 0.00295044/step Wall: 10096.3, 0.00295044/step, 1.31852 hours remaining, 207.054688 MB of memory in use. ENERGY: 3391200 733.4179 2120.4026 1925.6500 113.2690 -206173.1580 17676.1444 0.0000 0.0000 34526.3554 -149077.9188 301.5272 -183604.2742 -148974.0652 300.1174 18.4670 51.4514 555459.2437 -13.1893 -13.3393 PRESSURE: 3391400 -33.2175 36.208 -13.3867 36.2086 -173.691 109.972 -13.3866 109.972 -248.817 GPRESSURE: 3391400 -14.7356 11.3537 -2.29819 58.8795 -152.432 139.834 -82.1174 112.051 -190.6 PRESSAVG: 3391400 3.04243 72.7532 -8.75041 72.7532 18.6517 -33.173 -8.75039 -33.1729 -1.45979 GPRESSAVG: 3391400 3.22069 71.0528 -7.66059 72.1693 17.6819 -33.6581 -10.9216 -32.1427 -0.524097 TIMING: 3391400 CPU: 10096.9, 0.0029218/step Wall: 10096.9, 0.0029218/step, 1.30556 hours remaining, 207.054688 MB of memory in use. ENERGY: 3391400 742.8214 2080.6250 1925.1333 120.6398 -205994.2713 17720.4403 0.0000 0.0000 34197.9836 -149206.6278 298.6595 -183404.6114 -149109.9638 300.5395 -151.9084 -119.2557 556988.4514 6.7448 6.7928 PRESSURE: 3391600 3.03725 36.0726 62.9924 36.0716 -88.4346 66.6505 62.9921 66.6508 -138.927 GPRESSURE: 3391600 45.9574 -17.987 29.0513 55.9539 -54.543 10.4908 -30.9782 36.6307 -114.822 PRESSAVG: 3391600 14.5914 58.7285 -1.38184 58.7285 35.1146 -62.5046 -1.3819 -62.5047 -27.1624 GPRESSAVG: 3391600 14.3232 58.9545 -1.32841 59.5085 35.8496 -64.3029 -0.157123 -61.8197 -27.9922 TIMING: 3391600 CPU: 10097.5, 0.00293244/step Wall: 10097.5, 0.00293244/step, 1.31015 hours remaining, 207.054688 MB of memory in use. ENERGY: 3391600 755.3657 2091.1115 1912.1355 119.4901 -205877.9261 17556.9705 0.0000 0.0000 34414.9749 -149027.8780 300.5545 -183442.8529 -148928.5158 300.1223 -74.7749 -41.1360 556309.7673 7.5145 7.3935 PRESSURE: 3391800 -19.9949 91.0784 -114.53 91.0791 69.8446 103.915 -114.53 103.915 86.995 GPRESSURE: 3391800 28.3661 72.6262 -136.722 135.414 88.9572 154.808 -35.7136 -42.1095 117.012 PRESSAVG: 3391800 19.5853 9.02796 -28.236 9.02797 22.4717 10.6619 -28.236 10.6619 -40.9252 GPRESSAVG: 3391800 20.155 10.3157 -26.919 8.90351 22.2809 10.3699 -27.4606 8.50774 -40.8839 TIMING: 3391800 CPU: 10098.1, 0.00294496/step Wall: 10098.1, 0.00294496/step, 1.31558 hours remaining, 207.054688 MB of memory in use. ENERGY: 3391800 763.7156 2104.9348 1914.3624 132.1563 -206320.7338 17881.5553 0.0000 0.0000 34431.9797 -149092.0298 300.7030 -183524.0094 -148998.5951 300.5958 45.6149 78.1117 555494.9809 0.3772 0.5173 PRESSURE: 3392000 -131.154 -141.213 -57.0151 -141.213 -47.6605 116.571 -57.0173 116.572 21.9905 GPRESSURE: 3392000 -98.3148 -99.9753 -31.7807 -214.153 -12.9608 66.5445 -48.6397 171.459 56.9278 PRESSAVG: 3392000 -16.7427 -45.8281 -4.32498 -45.8281 -4.21722 -16.324 -4.32504 -16.324 -24.7055 GPRESSAVG: 3392000 -16.6119 -47.2803 -4.11608 -45.9034 -4.77574 -14.4731 -5.76196 -13.3042 -24.4313 TIMING: 3392000 CPU: 10098.7, 0.00295313/step Wall: 10098.7, 0.00295313/step, 1.31907 hours remaining, 207.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3392000 742.1393 2056.5903 1934.0335 104.2156 -206188.3930 17813.7684 0.0000 0.0000 34397.1172 -149140.5286 300.3986 -183537.6458 -149040.1369 300.2412 -52.2747 -18.1159 556880.9526 -15.2218 -15.2730 PRESSURE: 3392200 -151.332 107.61 124.117 107.61 74.5482 10.833 124.115 10.8339 -112.122 GPRESSURE: 3392200 -111.262 85.9577 130.013 101.536 92.4842 -12.426 110.694 19.1103 -74.3247 PRESSAVG: 3392200 -38.8376 -33.3801 -23.6846 -33.3801 22.5007 -49.3806 -23.6847 -49.3807 -40.3316 GPRESSAVG: 3392200 -38.7935 -33.3901 -25.2434 -33.6159 22.5036 -48.8096 -23.2939 -51.1275 -39.9817 TIMING: 3392200 CPU: 10099.2, 0.00292227/step Wall: 10099.2, 0.00292227/step, 1.30512 hours remaining, 207.054688 MB of memory in use. ENERGY: 3392200 748.1398 2075.6059 1918.4477 109.1944 -205918.9834 17715.1037 0.0000 0.0000 34159.8849 -149192.6071 298.3268 -183352.4919 -149093.7976 299.3272 -62.9684 -31.0342 558416.8335 -18.8895 -18.7572 LDB: ============= START OF LOAD BALANCING ============== 10102.8 LDB: ============== END OF LOAD BALANCING =============== 10102.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10102.8 LDB: ============= START OF LOAD BALANCING ============== 10103.1 LDB: Largest compute 4772 load 0.028207 is 23.9% of average load 0.118240 LDB: Average compute 0.001718 is 1.5% of average load 0.118240 LDB: TIME 10103.1 LOAD: AVG 0.11824 MAX 0.195618 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.824 MB LDB: TIME 10103.1 LOAD: AVG 0.11824 MAX 0.195618 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: TIME 10103.1 LOAD: AVG 0.11824 MAX 0.195618 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: ============== END OF LOAD BALANCING =============== 10103.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10103.1 PRESSURE: 3392400 103.705 -4.96827 -30.9057 -4.96787 108.998 -128.551 -30.9058 -128.551 327.068 GPRESSURE: 3392400 189.318 -37.2693 31.1114 16.404 193.441 -90.4872 -97.5848 -128.807 254.819 PRESSAVG: 3392400 -17.2546 5.11497 43.668 5.11495 -12.2694 10.3855 43.6681 10.3855 35.8636 GPRESSAVG: 3392400 -18.0331 6.06953 44.6591 3.72792 -11.8733 11.3706 45.8977 10.1297 36.5545 TIMING: 3392400 CPU: 10099.8, 0.00298326/step Wall: 10099.8, 0.00298326/step, 1.33219 hours remaining, 208.656250 MB of memory in use. ENERGY: 3392400 762.5725 2028.4972 1915.7937 113.7406 -206529.7596 18178.1053 0.0000 0.0000 34322.7945 -149208.2557 299.7495 -183531.0503 -149108.4155 299.2902 179.9236 212.5257 557166.4719 2.1132 2.2160 PRESSURE: 3392600 72.2181 72.6098 10.1781 72.6077 -171.367 -84.129 10.1787 -84.1303 -204.901 GPRESSURE: 3392600 77.6334 78.0915 -65.1674 17.6374 -141.666 -135.163 32.27 -42.4629 -136.467 PRESSAVG: 3392600 0.832181 -5.53313 26.2673 -5.53306 39.8918 14.5017 26.2674 14.5016 -1.96264 GPRESSAVG: 3392600 0.852823 -4.67713 25.7907 -5.03233 39.4044 13.1792 25.8397 14.7182 -1.82024 TIMING: 3392600 CPU: 10100.4, 0.00293359/step Wall: 10100.4, 0.0029336/step, 1.30985 hours remaining, 208.726562 MB of memory in use. ENERGY: 3392600 762.2642 2086.2852 1953.3972 110.9028 -206127.9346 17690.4849 0.0000 0.0000 34365.4946 -149159.1057 300.1224 -183524.6003 -149063.3287 299.5542 -101.3498 -66.8332 559720.8190 12.9205 12.8123 PRESSURE: 3392800 -104.984 -123.847 118.614 -123.848 42.8193 -73.5738 118.615 -73.5736 122.793 GPRESSURE: 3392800 -8.23541 -167.96 200.614 -21.4911 77.8448 -94.5669 106.908 -79.8584 89.8453 PRESSAVG: 3392800 40.7316 -9.31823 33.3486 -9.31819 -30.0893 65.284 33.3485 65.284 -28.554 GPRESSAVG: 3392800 41.4546 -8.46424 33.2243 -9.39685 -30.1323 65.8904 30.6963 63.8794 -28.6557 TIMING: 3392800 CPU: 10101, 0.00295048/step Wall: 10101, 0.00295048/step, 1.31723 hours remaining, 208.726562 MB of memory in use. ENERGY: 3392800 745.9052 2087.2599 1941.8821 107.4499 -206419.3474 18069.7883 0.0000 0.0000 34420.2167 -149046.8453 300.6003 -183467.0620 -148952.9628 299.3407 20.2096 53.1515 559278.5968 -5.9706 -5.7778 PRESSURE: 3393000 -225.767 122.266 -78.0562 122.266 -59.2339 -58.283 -78.0564 -58.2825 -269.202 GPRESSURE: 3393000 -219.536 160.832 -76.0296 57.7626 -4.77407 -23.6315 -8.7249 -107.094 -226.702 PRESSAVG: 3393000 -16.0466 4.21706 26.0334 4.21703 -9.91471 18.2694 26.0334 18.2694 52.2132 GPRESSAVG: 3393000 -17.5986 2.00247 25.9737 3.57679 -10.0961 14.946 27.9369 19.733 53.2135 TIMING: 3393000 CPU: 10101.6, 0.00294667/step Wall: 10101.6, 0.00294667/step, 1.31536 hours remaining, 208.726562 MB of memory in use. ENERGY: 3393000 720.3715 2072.9923 1935.1116 117.7791 -206034.5501 17664.4073 0.0000 0.0000 34441.5668 -149082.3213 300.7868 -183523.8882 -148988.2614 300.1552 -184.7342 -150.3373 557799.1907 8.7506 8.5063 PRESSURE: 3393200 47.3651 120.543 0.903426 120.542 56.2255 180.284 0.90398 180.284 -32.3413 GPRESSURE: 3393200 20.1 149.663 14.4436 104.829 130.228 231.15 8.45833 183.818 20.5056 PRESSAVG: 3393200 -4.52043 54.7303 3.46922 54.7304 -52.6448 -13.4833 3.4692 -13.4834 -24.5231 GPRESSAVG: 3393200 -5.18265 55.3828 3.96582 55.1621 -51.4924 -9.04021 3.86078 -13.1471 -25.0901 TIMING: 3393200 CPU: 10102.2, 0.00294603/step Wall: 10102.2, 0.00294603/step, 1.31491 hours remaining, 208.726562 MB of memory in use. ENERGY: 3393200 736.0132 2102.4680 1925.5629 125.2414 -206041.6676 17770.3329 0.0000 0.0000 34170.7765 -149211.2726 298.4219 -183382.0491 -149111.4241 299.4027 23.7498 56.9446 557007.7748 -27.2295 -27.2550 PRESSURE: 3393400 -389.603 186.908 90.2667 186.907 -204.414 165.911 90.2675 165.91 -545.854 GPRESSURE: 3393400 -389.942 111.453 149.647 138.47 -146.819 145.066 45.671 166.455 -508.023 PRESSAVG: 3393400 -4.59976 6.81666 -53.592 6.81656 74.1514 34.7783 -53.592 34.7784 -60.9522 GPRESSAVG: 3393400 -3.74041 4.6742 -52.0204 10.6309 73.1008 33.2257 -55.7991 32.6047 -60.6004 TIMING: 3393400 CPU: 10102.8, 0.00294594/step Wall: 10102.8, 0.00294594/step, 1.31471 hours remaining, 208.726562 MB of memory in use. ENERGY: 3393400 763.2316 2116.2611 1914.7669 120.8176 -205896.6141 17245.9919 0.0000 0.0000 34385.6058 -149349.9392 300.2980 -183735.5450 -149257.5332 299.1437 -379.9568 -348.2614 555988.1144 2.8665 2.9200 PRESSURE: 3393600 -122.321 -119.332 114.913 -119.333 243.096 -96.8719 114.912 -96.872 -57.9732 GPRESSURE: 3393600 -66.3581 -218.132 157.377 -69.9618 237.398 -97.1751 94.2918 18.6013 -14.6145 PRESSAVG: 3393600 -17.0307 4.39396 -34.4334 4.39396 23.3306 -15.2196 -34.4333 -15.2196 -3.31155 GPRESSAVG: 3393600 -14.9881 6.92471 -37.7595 1.5971 22.901 -14.6243 -31.4884 -15.8808 -4.46498 TIMING: 3393600 CPU: 10103.4, 0.00293597/step Wall: 10103.4, 0.00293597/step, 1.3101 hours remaining, 208.726562 MB of memory in use. ENERGY: 3393600 744.3485 2071.2491 1918.5243 100.0350 -206377.4935 17875.0034 0.0000 0.0000 34332.7852 -149335.5479 299.8368 -183668.3331 -149238.5774 298.9540 20.9340 52.1418 555965.7798 0.9961 1.1493 PRESSURE: 3393800 129.373 -64.4082 -54.4494 -64.4086 -153.023 1.48474 -54.4507 1.48525 61.1564 GPRESSURE: 3393800 136.557 -64.642 -46.091 -150.82 -85.0148 21.0998 -47.5387 -5.55105 84.2804 PRESSAVG: 3393800 37.9296 -14.5599 -4.56296 -14.5599 9.50562 -3.32195 -4.56298 -3.32198 -21.9683 GPRESSAVG: 3393800 35.8267 -15.5321 -3.08428 -12.2061 10.8433 -4.31342 -7.76156 -0.200801 -21.4199 TIMING: 3393800 CPU: 10104, 0.00293544/step Wall: 10104, 0.00293544/step, 1.30969 hours remaining, 208.726562 MB of memory in use. ENERGY: 3393800 697.3227 2145.6678 1903.0534 109.5869 -205919.8551 17603.5083 0.0000 0.0000 34150.4318 -149310.2841 298.2442 -183460.7160 -149211.9154 299.1463 12.5023 45.2743 556088.8546 8.4890 8.4167 PRESSURE: 3394000 39.6878 -161.357 144.177 -161.357 -3.39907 -80.3619 144.177 -80.3617 116.31 GPRESSURE: 3394000 61.5572 -143.868 207.704 -154.675 72.4205 -52.2523 65.0475 -90.2879 133.606 PRESSAVG: 3394000 -34.9666 -33.0626 -20.0848 -33.0626 64.3328 -83.352 -20.0848 -83.352 -6.2693 GPRESSAVG: 3394000 -33.3308 -33.1206 -20.6602 -34.9237 63.5189 -83.0492 -18.5313 -84.8649 -6.71396 TIMING: 3394000 CPU: 10104.6, 0.00295557/step Wall: 10104.6, 0.00295557/step, 1.31851 hours remaining, 208.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3394000 731.1559 2141.3511 1920.4234 109.2792 -206430.3692 17896.0581 0.0000 0.0000 34342.2729 -149289.8286 299.9196 -183632.1015 -149197.1028 299.2955 50.8661 89.1944 556035.8360 7.6989 7.8247 PRESSURE: 3394200 -178.113 -65.3649 3.46833 -65.3652 624.338 7.5637 3.46771 7.56131 -54.4326 GPRESSURE: 3394200 -34.8727 -64.5451 -15.1003 -26.8743 587.599 -55.5036 35.4158 123.568 -56.6644 PRESSAVG: 3394200 -1.14769 -53.6389 6.20853 -53.639 77.9486 -0.0707159 6.20845 -0.0706733 -77.2288 GPRESSAVG: 3394200 -0.753151 -53.6348 5.32349 -52.1692 77.9921 -2.09549 5.07637 1.79678 -77.6454 TIMING: 3394200 CPU: 10105.1, 0.00297669/step Wall: 10105.1, 0.00297669/step, 1.32777 hours remaining, 208.726562 MB of memory in use. ENERGY: 3394200 734.7664 2133.6873 1932.0638 106.4316 -206551.1471 18027.4023 0.0000 0.0000 34342.0210 -149274.7747 299.9174 -183616.7957 -149181.1452 300.7986 130.5974 165.3539 555785.8607 -0.1426 -0.1355 PRESSURE: 3394400 -395.831 133.372 -177.836 133.373 -109.136 63.1883 -177.837 63.1889 -158.567 GPRESSURE: 3394400 -362.628 145.559 -213.368 129.621 -90.9041 -2.39069 -115.512 68.5095 -123.538 PRESSAVG: 3394400 19.705 2.74073 35.7581 2.74073 67.0259 12.8907 35.7581 12.8907 -51.7327 GPRESSAVG: 3394400 19.2569 2.92216 38.3429 0.955619 66.6261 15.2258 36.6675 11.9716 -51.5066 TIMING: 3394400 CPU: 10105.7, 0.00293495/step Wall: 10105.7, 0.00293495/step, 1.30899 hours remaining, 208.726562 MB of memory in use. ENERGY: 3394400 753.7879 2105.2371 1934.1501 100.9342 -205604.6116 17378.2801 0.0000 0.0000 34109.3428 -149222.8793 297.8854 -183332.2221 -149132.5792 299.6739 -221.1780 -192.3564 558677.2032 11.6661 11.4588 PRESSURE: 3394600 141.947 33.1521 75.7884 33.1523 155.321 -37.0795 75.789 -37.0789 28.5364 GPRESSURE: 3394600 195.418 39.9138 62.421 -21.1315 174.503 2.12808 51.4592 -60.6976 54.1065 PRESSAVG: 3394600 -21.2637 -25.8475 -24.537 -25.8475 28.8951 47.2352 -24.537 47.2352 18.9505 GPRESSAVG: 3394600 -21.7806 -26.0422 -27.1393 -25.9302 29.5469 47.8098 -22.4473 44.0642 19.2161 TIMING: 3394600 CPU: 10106.3, 0.00294761/step Wall: 10106.3, 0.00294761/step, 1.31447 hours remaining, 208.726562 MB of memory in use. ENERGY: 3394600 764.6259 2041.1061 1945.2768 116.3766 -206195.1266 17966.9031 0.0000 0.0000 34355.7021 -149005.1360 300.0369 -183360.8381 -148907.3317 299.3327 108.6016 141.3424 558324.7557 8.8606 8.9942 PRESSURE: 3394800 -451.355 42.5418 -61.0484 42.5419 34.1413 105.159 -61.0483 105.158 -226.806 GPRESSURE: 3394800 -410.208 86.0317 -94.3764 64.2274 79.1325 47.4405 -107.905 78.1099 -211.756 PRESSAVG: 3394800 -2.12156 47.8777 -31.2437 47.8777 -14.4062 -9.25967 -31.2437 -9.2597 24.0148 GPRESSAVG: 3394800 -2.75266 47.7454 -29.875 47.9841 -15.3243 -10.7434 -33.1211 -7.64777 25.4546 TIMING: 3394800 CPU: 10106.9, 0.00296994/step Wall: 10106.9, 0.00296994/step, 1.32426 hours remaining, 208.726562 MB of memory in use. ENERGY: 3394800 751.4924 2090.2792 1923.8615 109.5869 -205723.2197 17440.2851 0.0000 0.0000 34326.4666 -149081.2480 299.7816 -183407.7146 -148982.9359 299.9906 -214.6732 -180.9438 558343.3782 2.4957 2.4592 PRESSURE: 3395000 340.059 -36.3538 26.4515 -36.3543 106.099 130.818 26.4501 130.818 165.46 GPRESSURE: 3395000 376.134 9.08666 -3.61672 -139.786 99.8818 194.741 57.8444 27.1106 229.234 PRESSAVG: 3395000 24.3161 63.5999 32.6011 63.6 -13.4298 6.13929 32.6011 6.13925 23.1911 GPRESSAVG: 3395000 24.5782 64.1296 33.0415 62.975 -12.6454 3.02181 31.8752 8.95235 22.27 TIMING: 3395000 CPU: 10107.5, 0.00293073/step Wall: 10107.5, 0.00293073/step, 1.30662 hours remaining, 208.726562 MB of memory in use. ENERGY: 3395000 730.4489 2067.5695 1945.3778 113.3876 -206517.2783 18139.7840 0.0000 0.0000 34405.0944 -149115.6162 300.4682 -183520.7106 -149015.5562 300.2421 203.8726 235.0832 556504.5691 11.3591 11.4010 PRESSURE: 3395200 -251.309 21.4044 26.986 21.4029 16.6357 -41.0876 26.9874 -41.0892 17.5634 GPRESSURE: 3395200 -216.816 54.8026 -25.1821 -16.6901 68.86 -35.838 25.8262 18.8864 17.2164 PRESSAVG: 3395200 -28.7426 -2.57133 -39.2307 -2.5713 18.8635 -22.9142 -39.2306 -22.9143 27.6421 GPRESSAVG: 3395200 -28.3456 -4.13373 -39.944 -2.28049 18.5376 -20.339 -38.5138 -24.2317 27.2243 TIMING: 3395200 CPU: 10108.1, 0.0029292/step Wall: 10108.1, 0.0029292/step, 1.30577 hours remaining, 208.726562 MB of memory in use. ENERGY: 3395200 727.3816 2022.3714 1969.9201 113.3342 -205999.0172 17770.5429 0.0000 0.0000 34330.0381 -149065.4288 299.8128 -183395.4670 -148976.7408 299.7717 -72.3699 -43.5799 558590.9368 5.9210 5.8054 PRESSURE: 3395400 95.366 -67.7532 64.2622 -67.753 132.245 -2.0321 64.2614 -2.03168 58.9176 GPRESSURE: 3395400 151.774 -85.7896 72.8515 -69.4215 150.235 -12.2459 24.2786 39.6482 62.3932 PRESSAVG: 3395400 -96.1009 12.3525 18.9644 12.3525 61.5553 22.9209 18.9644 22.9211 21.0747 GPRESSAVG: 3395400 -96.632 15.7225 18.9793 12.0458 61.7586 25.4907 18.8566 21.9323 21.1423 TIMING: 3395400 CPU: 10108.7, 0.00295009/step Wall: 10108.7, 0.00295009/step, 1.31492 hours remaining, 208.726562 MB of memory in use. ENERGY: 3395400 727.6789 2003.4376 1947.8905 117.8681 -206197.0030 18026.5140 0.0000 0.0000 34328.5193 -149045.0944 299.7995 -183373.6137 -148938.9336 299.6112 95.5095 121.4675 558932.3998 -4.4903 -4.5770 PRESSURE: 3395600 -158.13 -31.9265 -16.0769 -31.9258 -28.54 79.0804 -16.077 79.0817 -225.407 GPRESSURE: 3395600 -178.824 -100.431 -54.3603 4.08858 7.41367 77.9918 18.6256 25.9468 -133.55 PRESSAVG: 3395600 2.34352 -7.12472 24.7568 -7.12473 5.42526 -5.47798 24.7569 -5.47801 -27.9821 GPRESSAVG: 3395600 3.53326 -11.1826 24.9344 -5.52131 4.727 -8.39798 26.4661 -2.77885 -28.1127 TIMING: 3395600 CPU: 10109.3, 0.00296894/step Wall: 10109.3, 0.00296894/step, 1.32316 hours remaining, 208.726562 MB of memory in use. ENERGY: 3395600 752.4775 2050.1061 1960.5284 120.2235 -205816.4541 17533.4911 0.0000 0.0000 34347.0067 -149052.6208 299.9610 -183399.6275 -148954.7760 299.9320 -137.3590 -101.6532 558144.5498 -6.7378 -6.6175 PRESSURE: 3395800 -76.8018 -15.2977 63.9855 -15.2983 233.26 -44.6807 63.9856 -44.6828 -157.536 GPRESSURE: 3395800 7.48872 2.87482 117.427 -84.2338 226.294 -63.2448 130.426 8.66048 -138.141 PRESSAVG: 3395800 28.7073 -27.1126 58.9917 -27.1126 27.3308 -7.18071 58.9917 -7.18077 -39.8317 GPRESSAVG: 3395800 27.9492 -24.1537 61.1368 -29.9808 26.5307 -5.97601 55.1167 -9.78424 -38.4892 TIMING: 3395800 CPU: 10109.9, 0.00297076/step Wall: 10109.9, 0.00297076/step, 1.32381 hours remaining, 208.726562 MB of memory in use. ENERGY: 3395800 726.4316 2113.6178 1945.5974 111.2449 -206190.8583 17788.9623 0.0000 0.0000 34368.2054 -149136.7988 300.1461 -183505.0042 -149041.7064 299.7347 -0.3595 31.8806 557570.8849 5.4021 5.3302 PRESSURE: 3396000 -146.651 14.2894 153.686 14.2899 159.345 -99.2918 153.686 -99.2908 -141.877 GPRESSURE: 3396000 -156.728 56.123 108.358 25.6153 191.519 -124.647 116.378 -26.802 -64.4567 PRESSAVG: 3396000 1.77709 19.3007 -12.2421 19.3007 1.84639 36.006 -12.242 36.006 -64.5275 GPRESSAVG: 3396000 1.15123 18.408 -14.692 21.6275 4.12383 36.6247 -9.77532 36.1588 -66.205 TIMING: 3396000 CPU: 10110.5, 0.00297843/step Wall: 10110.5, 0.00297843/step, 1.32706 hours remaining, 208.726562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3396000 743.8031 2054.5580 1930.9232 127.3915 -206164.5279 17854.9865 0.0000 0.0000 34401.9186 -149050.9471 300.4405 -183452.8657 -148953.1580 299.8160 -43.0609 -9.8885 558584.9373 -20.3013 -20.3100 PRESSURE: 3396200 -166.709 81.8191 104.558 81.8199 271.077 -34.3038 104.559 -34.3041 -78.8297 GPRESSURE: 3396200 -187.938 11.4301 117.509 29.6312 289.012 -7.51741 157.891 -94.1461 17.7738 PRESSAVG: 3396200 -82.8057 7.28446 5.77634 7.28447 69.5577 -34.4989 5.77635 -34.499 -18.3583 GPRESSAVG: 3396200 -83.3081 7.74765 7.70702 6.83793 69.2737 -34.1928 6.32853 -33.6461 -17.2869 TIMING: 3396200 CPU: 10111.1, 0.00296635/step Wall: 10111.1, 0.00296635/step, 1.32151 hours remaining, 208.726562 MB of memory in use. ENERGY: 3396200 745.8347 2100.8302 1944.2183 107.6246 -205875.8075 17875.2705 0.0000 0.0000 34090.9585 -149011.0707 297.7248 -183102.0292 -148911.5587 300.2559 8.5129 39.6162 558171.6151 -10.5355 -10.4404 LDB: ============= START OF LOAD BALANCING ============== 10114.6 LDB: ============== END OF LOAD BALANCING =============== 10114.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10114.6 LDB: ============= START OF LOAD BALANCING ============== 10114.9 LDB: Largest compute 4772 load 0.027960 is 23.7% of average load 0.118174 LDB: Average compute 0.001720 is 1.5% of average load 0.118174 LDB: TIME 10114.9 LOAD: AVG 0.118174 MAX 0.19743 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.406 MB LDB: TIME 10114.9 LOAD: AVG 0.118174 MAX 0.19743 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.406 MB LDB: TIME 10114.9 LOAD: AVG 0.118174 MAX 0.19743 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.406 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10114.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10114.9 PRESSURE: 3396400 39.4905 -18.1816 -11.4614 -18.1823 -81.5053 33.4881 -11.4619 33.4879 -454.152 GPRESSURE: 3396400 35.2243 -20.3765 43.2278 69.7562 -23.7288 39.1418 -37.618 88.9268 -413.151 PRESSAVG: 3396400 -18.4108 -16.123 11.047 -16.1231 21.2279 25.4212 11.047 25.4211 -16.5251 GPRESSAVG: 3396400 -15.7689 -17.2085 8.96115 -14.9453 19.547 22.6444 11.326 23.5933 -16.9085 TIMING: 3396400 CPU: 10111.7, 0.0030014/step Wall: 10111.7, 0.0030014/step, 1.33696 hours remaining, 207.824219 MB of memory in use. ENERGY: 3396400 784.4819 2087.1179 1928.4665 105.7615 -205980.7739 17798.5688 0.0000 0.0000 34333.5769 -148942.8003 299.8437 -183276.3772 -148846.7487 300.8008 -165.3888 -133.8853 559365.8598 -4.5693 -4.3768 PRESSURE: 3396600 -289.494 47.3327 -55.879 47.3335 -152.195 -94.1259 -55.8786 -94.1245 -183.705 GPRESSURE: 3396600 -285.055 96.9633 -39.7304 53.5011 -104.767 -52.9963 -42.6629 -139.052 -133.104 PRESSAVG: 3396600 61.363 13.938 -32.6486 13.938 13.1278 -68.3543 -32.6486 -68.3541 -39.1653 GPRESSAVG: 3396600 59.414 16.4295 -33.1327 11.7452 15.3387 -65.8555 -31.8894 -67.2772 -39.5722 TIMING: 3396600 CPU: 10112.2, 0.00294291/step Wall: 10112.2, 0.00294291/step, 1.31074 hours remaining, 207.824219 MB of memory in use. ENERGY: 3396600 758.2018 1999.9013 1924.3575 116.2923 -205559.7338 17448.0155 0.0000 0.0000 34566.9089 -148746.0564 301.8814 -183312.9654 -148638.9653 300.9496 -208.4649 -174.3088 559190.4337 11.7752 11.7268 PRESSURE: 3396800 -77.0566 -31.3632 141.025 -31.3633 -91.7297 141.058 141.025 141.058 -208.194 GPRESSURE: 3396800 -36.5057 -9.66041 113.579 -0.687359 -95.1078 200.877 195.925 110.624 -140.282 PRESSAVG: 3396800 44.378 -24.6101 20.4353 -24.6102 -15.1967 22.9067 20.4353 22.9068 -29.8727 GPRESSAVG: 3396800 43.8793 -24.3071 20.9671 -25.0361 -15.4105 21.0427 19.6537 22.8274 -29.3723 TIMING: 3396800 CPU: 10112.8, 0.00293861/step Wall: 10112.8, 0.00293861/step, 1.30866 hours remaining, 207.824219 MB of memory in use. ENERGY: 3396800 798.4745 2075.9480 1957.2171 105.4513 -205812.9999 17586.6544 0.0000 0.0000 34443.4161 -148845.8384 300.8029 -183289.2545 -148746.5616 300.3459 -125.6601 -90.6320 558368.5181 -0.2305 -0.3012 PRESSURE: 3397000 -241.56 -21.3725 116.133 -21.372 -179.985 8.11736 116.133 8.11538 -112.052 GPRESSURE: 3397000 -213.713 -3.12867 56.5692 17.0013 -185.382 69.2039 38.9008 88.5937 -41.1689 PRESSAVG: 3397000 35.5777 39.1177 17.314 39.1178 -30.9921 11.6758 17.3141 11.676 -11.5437 GPRESSAVG: 3397000 36.1039 37.3085 17.7665 41.3497 -31.6089 11.6312 16.2677 12.507 -11.5284 TIMING: 3397000 CPU: 10113.4, 0.00292598/step Wall: 10113.4, 0.00292599/step, 1.30288 hours remaining, 207.824219 MB of memory in use. ENERGY: 3397000 737.7782 2165.1374 1948.9950 117.9527 -205654.8807 17458.5329 0.0000 0.0000 34325.7973 -148900.6870 299.7757 -183226.4843 -148801.3096 300.4169 -177.8656 -146.7546 559333.8978 -2.3193 -2.3445 PRESSURE: 3397200 -56.9057 31.2405 26.8658 31.2401 55.3954 -42.4468 26.8659 -42.4472 -14.2889 GPRESSURE: 3397200 6.9929 37.6823 72.1829 53.8673 60.7566 -85.7409 -1.06025 -39.5388 16.9603 PRESSAVG: 3397200 19.6647 20.4949 -12.5706 20.495 74.9734 -3.42557 -12.5707 -3.42556 -26.9849 GPRESSAVG: 3397200 19.7494 23.5347 -12.4167 17.397 74.066 -1.68529 -10.9878 -2.02485 -26.2514 TIMING: 3397200 CPU: 10114, 0.00292696/step Wall: 10114, 0.00292696/step, 1.30315 hours remaining, 207.824219 MB of memory in use. ENERGY: 3397200 776.0839 2122.5131 1947.3248 114.3735 -206177.7568 18006.2254 0.0000 0.0000 34305.5840 -148905.6520 299.5992 -183211.2361 -148803.7028 300.1147 -5.2664 28.2366 558279.1236 22.5511 22.5214 PRESSURE: 3397400 -7.62552 6.88583 -112.439 6.88741 64.7396 150.477 -112.439 150.477 -138.733 GPRESSURE: 3397400 81.2572 14.4951 -85.4805 -7.20814 95.8642 80.0474 -103.416 204.903 -152.584 PRESSAVG: 3397400 18.5875 29.0982 -44.1777 29.0982 13.0672 21.2599 -44.1777 21.26 6.53118 GPRESSAVG: 3397400 18.0503 24.5866 -43.9083 30.8013 15.0515 20.1219 -45.0815 19.8533 5.10207 TIMING: 3397400 CPU: 10114.6, 0.00292974/step Wall: 10114.6, 0.00292974/step, 1.30422 hours remaining, 208.082031 MB of memory in use. ENERGY: 3397400 750.3650 2071.1558 1954.8652 107.9258 -206253.4832 17977.1467 0.0000 0.0000 34618.1788 -148773.8459 302.3292 -183392.0247 -148667.5743 300.7207 -27.2063 8.1791 558630.0490 12.7286 12.7346 PRESSURE: 3397600 -163.875 81.8168 -84.2815 81.8174 -80.7934 22.2865 -84.2809 22.2882 83.0679 GPRESSURE: 3397600 -145.147 109.197 -161.331 75.9425 -21.1527 21.0296 6.91966 117.173 107.375 PRESSAVG: 3397600 -67.2561 26.2787 -28.3695 26.2788 50.5935 -5.93313 -28.3695 -5.93313 -10.3897 GPRESSAVG: 3397600 -66.066 28.4194 -28.215 26.9922 49.744 -4.18202 -26.7925 -6.65927 -10.7386 TIMING: 3397600 CPU: 10115.2, 0.00295686/step Wall: 10115.2, 0.00295686/step, 1.31613 hours remaining, 208.082031 MB of memory in use. ENERGY: 3397600 776.0518 2131.6605 1952.3425 116.7669 -205868.5983 17872.3300 0.0000 0.0000 34288.2871 -148731.1594 299.4481 -183019.4465 -148635.1693 301.2139 -53.8668 -19.6418 557953.4671 -9.0174 -9.0202 PRESSURE: 3397800 20.4135 26.865 -81.9497 26.8654 49.6196 131.845 -81.9504 131.846 193.21 GPRESSURE: 3397800 31.3954 -43.6864 17.1398 101.098 121.807 108.791 -77.9764 93.7015 206.575 PRESSAVG: 3397800 -64.2058 14.2933 -9.26602 14.2932 5.89062 -30.9084 -9.26599 -30.9086 28.525 GPRESSAVG: 3397800 -64.9186 13.5443 -6.54082 14.7443 5.44967 -31.0261 -9.30158 -31.067 29.6029 TIMING: 3397800 CPU: 10115.8, 0.00294933/step Wall: 10115.8, 0.00294933/step, 1.31261 hours remaining, 208.082031 MB of memory in use. ENERGY: 3397800 732.2173 2077.9033 1946.6180 109.5444 -206307.9999 18016.7839 0.0000 0.0000 34398.5768 -149026.3563 300.4113 -183424.9331 -148930.9143 300.9839 87.7479 119.9259 558515.5373 -9.9301 -9.9554 PRESSURE: 3398000 -23.7734 103.357 -58.8564 103.358 99.7672 -47.4695 -58.8562 -47.4709 20.6465 GPRESSURE: 3398000 23.2063 200.139 -96.2681 23.6488 132.596 -101.992 -64.4106 -6.28909 38.9466 PRESSAVG: 3398000 51.2465 29.8689 2.25614 29.8689 -57.2512 15.1141 2.25617 15.1141 34.8843 GPRESSAVG: 3398000 50.7687 31.3084 0.312034 28.6793 -57.5363 14.5771 0.45427 15.1607 35.6139 TIMING: 3398000 CPU: 10116.4, 0.00294475/step Wall: 10116.4, 0.00294475/step, 1.31041 hours remaining, 208.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3398000 695.8087 2076.4679 1960.8175 108.5469 -206077.2063 17709.1119 0.0000 0.0000 34250.8519 -149275.6015 299.1212 -183526.4535 -149179.4607 299.3045 32.2134 64.9162 556329.4438 9.6265 9.6154 PRESSURE: 3398200 12.3934 99.7835 -191.938 99.7841 -28.2869 -69.1595 -191.938 -69.1609 81.1603 GPRESSURE: 3398200 94.371 80.1969 -295.335 142.13 -26.2245 -117.557 -170.015 -96.4569 86.3578 PRESSAVG: 3398200 -31.7304 -9.05362 -7.45041 -9.05363 9.1713 -14.5444 -7.45044 -14.5444 44.8336 GPRESSAVG: 3398200 -32.5347 -10.7152 -7.10341 -8.71172 10.0574 -15.4392 -6.9335 -14.6801 45.5896 TIMING: 3398200 CPU: 10116.9, 0.00294452/step Wall: 10116.9, 0.00294452/step, 1.31015 hours remaining, 208.082031 MB of memory in use. ENERGY: 3398200 718.1551 2065.6745 1920.6341 105.3913 -206047.6883 17550.1242 0.0000 0.0000 34272.3787 -149415.3304 299.3092 -183687.7091 -149323.6919 298.2017 21.7556 51.5014 556205.9747 7.4248 7.7041 PRESSURE: 3398400 -191.672 125.968 -216.788 125.968 7.65413 -113.953 -216.788 -113.953 77.7909 GPRESSURE: 3398400 -154.288 131.158 -152.759 141.33 39.7615 -63.5271 -240.606 -94.5818 94.2144 PRESSAVG: 3398400 -1.71963 38.7383 31.3743 38.7383 5.10548 -3.09439 31.3742 -3.09447 3.02246 GPRESSAVG: 3398400 -0.517498 38.1756 29.5696 38.7001 6.01555 -3.59395 32.9585 -1.79918 1.47827 TIMING: 3398400 CPU: 10117.5, 0.00292785/step Wall: 10117.5, 0.00292785/step, 1.30257 hours remaining, 208.082031 MB of memory in use. ENERGY: 3398400 728.6098 2067.2280 1948.1348 125.8626 -206266.4664 17752.7505 0.0000 0.0000 34319.7274 -149324.1534 299.7227 -183643.8808 -149228.2530 299.1032 -35.4089 -6.7708 557070.2494 2.1361 2.3254 PRESSURE: 3398600 284.004 -154.909 119.018 -154.909 -348.851 194.007 119.017 194.005 39.1315 GPRESSURE: 3398600 308.472 -123.182 183.123 -189.484 -307.179 185.791 77.3187 140.147 74.1186 PRESSAVG: 3398600 18.4307 -29.0887 37.1751 -29.0888 -41.1257 -16.9927 37.1751 -16.9927 27.5233 GPRESSAVG: 3398600 17.8861 -29.7939 37.7668 -29.08 -41.5812 -16.9538 35.663 -18.5398 28.2965 TIMING: 3398600 CPU: 10118.1, 0.00294715/step Wall: 10118.1, 0.00294715/step, 1.31099 hours remaining, 208.082031 MB of memory in use. ENERGY: 3398600 718.8432 2079.3446 1929.5082 122.1520 -206268.0267 17773.2144 0.0000 0.0000 34334.1547 -149310.8095 299.8487 -183644.9642 -149219.6640 298.8247 -8.5719 25.1371 557346.7197 1.6094 1.5338 PRESSURE: 3398800 197.98 -8.33929 -86.4397 -8.33813 263.77 17.2102 -86.4397 17.2096 198.974 GPRESSURE: 3398800 171.175 7.66977 -49.949 9.93 352.616 56.1045 -83.0112 17.0881 229.686 PRESSAVG: 3398800 -91.7732 -65.1109 -35.9659 -65.111 142.659 -21.0693 -35.9659 -21.0693 12.2011 GPRESSAVG: 3398800 -91.6512 -64.6927 -34.4152 -64.7369 143.413 -21.5475 -36.2154 -19.8539 11.9031 TIMING: 3398800 CPU: 10118.7, 0.00296808/step Wall: 10118.7, 0.00296807/step, 1.32013 hours remaining, 208.132812 MB of memory in use. ENERGY: 3398800 722.0880 2151.6867 1923.4236 109.1242 -206585.8320 18137.4402 0.0000 0.0000 34303.8024 -149238.2670 299.5836 -183542.0694 -149140.3837 298.8254 220.2416 251.1593 556460.4519 21.0290 21.2216 PRESSURE: 3399000 -43.9945 -0.811053 -114.744 -0.812585 -17.706 93.8765 -114.743 93.8771 -32.7626 GPRESSURE: 3399000 17.3043 -40.566 -148.402 38.0863 -33.5513 80.7618 -66.6196 69.2742 26.7466 PRESSAVG: 3399000 25.4567 -14.6599 -3.46247 -14.66 34.0775 -23.3069 -3.46262 -23.307 -29.91 GPRESSAVG: 3399000 26.0845 -13.8932 -3.94769 -13.8848 33.0421 -22.3931 -2.94983 -24.4718 -29.4163 TIMING: 3399000 CPU: 10119.3, 0.00294781/step Wall: 10119.3, 0.00294781/step, 1.31096 hours remaining, 208.132812 MB of memory in use. ENERGY: 3399000 708.0476 2085.1397 1938.1942 119.7930 -206061.1065 17638.2850 0.0000 0.0000 34453.6340 -149118.0129 300.8922 -183571.6469 -149012.8525 299.0848 -31.4877 3.4999 558297.3406 9.8747 9.9034 PRESSURE: 3399200 -55.919 209.662 -105.174 209.662 -121.773 -3.79161 -105.175 -3.79033 24.4734 GPRESSURE: 3399200 -74.0417 259.426 -57.9118 230.478 -21.299 19.5455 -157.563 -116.275 37.7397 PRESSAVG: 3399200 24.6858 -14.8076 -100.147 -14.8076 -59.6494 -6.30853 -100.147 -6.30869 33.9899 GPRESSAVG: 3399200 23.4415 -13.3171 -99.3047 -15.3928 -58.2878 -6.61701 -99.4576 -4.35316 34.3174 TIMING: 3399200 CPU: 10119.9, 0.00296006/step Wall: 10119.9, 0.00296006/step, 1.31624 hours remaining, 208.132812 MB of memory in use. ENERGY: 3399200 727.9788 2102.7557 1932.1634 116.1817 -206011.6088 17770.0761 0.0000 0.0000 34205.6268 -149156.8264 298.7262 -183362.4531 -149055.7092 299.1873 -51.0728 -19.2003 557322.4736 -0.3246 -0.1763 PRESSURE: 3399400 -0.778606 -125.498 -127.763 -125.498 -96.408 142.938 -127.763 142.937 -152.93 GPRESSURE: 3399400 37.9382 -108.218 -115.572 -79.0639 -107.28 71.9841 -29.2699 173.241 -87.7672 PRESSAVG: 3399400 7.4096 31.3842 -35.2144 31.3843 26.2828 -35.2456 -35.2144 -35.2456 -50.7076 GPRESSAVG: 3399400 6.90327 29.3579 -36.0092 32.3797 26.5858 -34.4656 -34.9039 -35.8698 -50.5083 TIMING: 3399400 CPU: 10120.5, 0.00296442/step Wall: 10120.5, 0.00296442/step, 1.31801 hours remaining, 208.132812 MB of memory in use. ENERGY: 3399400 769.0275 2135.4389 1936.3375 107.7317 -205971.8747 17642.0728 0.0000 0.0000 34234.1742 -149147.0920 298.9756 -183381.2662 -149053.0425 299.0225 -83.3721 -52.3698 557574.3073 -5.6717 -5.6731 PRESSURE: 3399600 134.198 97.9399 27.3567 97.9391 2.39043 82.7881 27.3561 82.7889 122.25 GPRESSURE: 3399600 146.47 53.1659 -71.6935 115.798 33.8567 55.8679 132.974 29.9596 186.811 PRESSAVG: 3399600 -53.8859 22.6643 -21.04 22.6644 69.3995 10.6647 -21.0399 10.6647 -18.1767 GPRESSAVG: 3399600 -52.5091 22.2704 -20.7398 22.9798 67.6619 7.89582 -20.1212 13.0887 -17.957 TIMING: 3399600 CPU: 10121.1, 0.00293773/step Wall: 10121.1, 0.00293773/step, 1.30598 hours remaining, 208.132812 MB of memory in use. ENERGY: 3399600 710.9827 2066.6979 1932.0656 103.6598 -205900.2471 17719.1255 0.0000 0.0000 34056.0856 -149311.6301 297.4203 -183367.7157 -149222.5269 299.1269 86.2792 122.3792 557072.8388 -0.8877 -0.9347 PRESSURE: 3399800 -265.25 118.454 -34.3491 118.452 136.685 72.6335 -34.35 72.6327 267.266 GPRESSURE: 3399800 -193.492 182.87 97.0686 148.952 171.491 121.129 -135.189 -49.2925 265.153 PRESSAVG: 3399800 -23.2834 -8.98382 27.2699 -8.98383 -9.83615 13.9492 27.2699 13.9491 58.425 GPRESSAVG: 3399800 -22.6162 -8.06812 26.9989 -9.00268 -9.8659 14.5364 25.8948 11.4932 57.4194 TIMING: 3399800 CPU: 10121.7, 0.00295242/step Wall: 10121.7, 0.00295242/step, 1.31235 hours remaining, 208.332031 MB of memory in use. ENERGY: 3399800 758.8551 2022.5518 1961.6797 108.1070 -206197.8801 17848.1693 0.0000 0.0000 34170.1664 -149328.3507 298.4166 -183498.5172 -149232.7907 298.2808 46.2336 81.0506 559533.2586 8.4352 8.3124 PRESSURE: 3400000 -263.4 -64.7485 -39.037 -64.7484 18.6698 -26.7614 -39.036 -26.76 68.5259 GPRESSURE: 3400000 -257.276 -62.0687 41.2892 -17.2271 51.1827 -69.9673 -38.6238 88.4299 129.358 PRESSAVG: 3400000 -42.2487 39.6974 23.1392 39.6974 58.5143 0.0262332 23.1392 0.0262905 46.8844 GPRESSAVG: 3400000 -43.2083 40.2638 23.0184 38.4699 58.9282 0.863144 21.7646 0.676614 46.9526 TIMING: 3400000 CPU: 10122.3, 0.00294834/step Wall: 10122.3, 0.00294834/step, 1.31037 hours remaining, 208.332031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3400000 750.2111 2125.5590 1926.0258 112.5790 -206162.8552 17979.3395 0.0000 0.0000 33909.7321 -149359.4087 296.1421 -183269.1407 -149262.5824 298.5445 -58.7349 -25.5783 559333.6289 21.0500 20.8909 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3400000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 3400000 WRITING COORDINATES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3400200 -135.334 235.07 -161.936 235.07 -370.049 -69.6038 -161.936 -69.6042 42.8152 GPRESSURE: 3400200 -147.189 149.623 -123.522 206.548 -268.364 -104.303 -179.131 -128.128 39.1307 PRESSAVG: 3400200 -15.2884 12.3897 -35.8151 12.3897 -30.7138 1.54233 -35.8149 1.54227 -5.62986 GPRESSAVG: 3400200 -15.7218 12.0246 -35.7719 12.7533 -29.3038 2.75128 -34.5716 0.647402 -6.45523 TIMING: 3400200 CPU: 10122.9, 0.0030297/step Wall: 10122.9, 0.0030297/step, 1.34637 hours remaining, 208.332031 MB of memory in use. ENERGY: 3400200 790.8108 2091.7685 1924.6344 128.3803 -206260.1241 17832.8476 0.0000 0.0000 34155.9759 -149335.7066 298.2926 -183491.6824 -149242.6318 298.5696 -154.1894 -125.4740 558339.7172 -17.2107 -17.1603 LDB: ============= START OF LOAD BALANCING ============== 10126.4 LDB: ============== END OF LOAD BALANCING =============== 10126.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10126.4 LDB: ============= START OF LOAD BALANCING ============== 10126.7 LDB: Largest compute 4772 load 0.027023 is 22.9% of average load 0.118177 LDB: Average compute 0.001721 is 1.5% of average load 0.118177 LDB: TIME 10126.7 LOAD: AVG 0.118177 MAX 0.196435 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.023 MB LDB: TIME 10126.7 LOAD: AVG 0.118177 MAX 0.196435 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.098 MB LDB: TIME 10126.7 LOAD: AVG 0.118177 MAX 0.196435 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.098 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10126.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10126.7 PRESSURE: 3400400 143.933 124.055 -77.7644 124.055 266.412 -54.5503 -77.764 -54.5511 -54.8669 GPRESSURE: 3400400 213.307 112.042 -41.2151 160.221 238.116 -7.74996 -217.678 -98.8506 -15.98 PRESSAVG: 3400400 -57.3957 36.9334 -35.6695 36.9334 59.941 29.3827 -35.6695 29.3827 26.9273 GPRESSAVG: 3400400 -56.9948 35.9206 -35.9391 38.4267 58.5551 29.0731 -37.0434 26.7789 28.3604 TIMING: 3400400 CPU: 10123.5, 0.0029971/step Wall: 10123.5, 0.00299711/step, 1.33171 hours remaining, 207.312500 MB of memory in use. ENERGY: 3400400 744.3050 2066.5150 1925.7632 102.4591 -206727.5220 18217.4074 0.0000 0.0000 34272.0409 -149399.0313 299.3063 -183671.0721 -149294.1780 298.6766 118.4927 145.1475 558523.7873 9.8242 9.9736 PRESSURE: 3400600 69.849 -159.882 -39.3432 -159.881 141.184 -47.4854 -39.3429 -47.4868 103.806 GPRESSURE: 3400600 84.399 -50.7852 -186.656 -172.53 203.928 -48.9737 79.0446 -40.1656 112.434 PRESSAVG: 3400600 -67.4588 -22.0698 3.86864 -22.0699 69.4523 -19.3733 3.86867 -19.3733 60.221 GPRESSAVG: 3400600 -67.9009 -18.2605 4.06949 -24.9054 69.8914 -19.3429 5.02309 -15.7211 59.7148 TIMING: 3400600 CPU: 10124.1, 0.0029499/step Wall: 10124.1, 0.0029499/step, 1.31057 hours remaining, 207.312500 MB of memory in use. ENERGY: 3400600 741.6294 2136.5828 1932.5757 129.4311 -206791.7127 18185.9877 0.0000 0.0000 34290.5289 -149374.9772 299.4677 -183665.5061 -149277.6548 299.0868 104.9463 133.5872 558272.8885 20.7382 20.5684 PRESSURE: 3400800 -43.8781 -10.9733 83.1629 -10.9736 31.106 -34.9053 83.1637 -34.9042 -167.172 GPRESSURE: 3400800 1.45226 -11.6035 133.291 -17.0443 61.913 -46.5573 87.3476 85.5364 -149.675 PRESSAVG: 3400800 -9.23756 -61.6435 -74.1151 -61.6435 12.1233 -6.43011 -74.1152 -6.43009 12.8491 GPRESSAVG: 3400800 -9.21286 -64.4219 -74.3177 -59.7051 12.0003 -7.63547 -75.7754 -7.28415 12.9722 TIMING: 3400800 CPU: 10124.6, 0.00295332/step Wall: 10124.6, 0.00295332/step, 1.31193 hours remaining, 207.312500 MB of memory in use. ENERGY: 3400800 744.9761 2102.2317 1950.9605 120.4220 -206560.1246 17988.8185 0.0000 0.0000 34425.8604 -149226.8554 300.6496 -183652.7159 -149129.4332 298.7910 -59.9814 -28.7700 557711.5693 5.2450 5.2532 PRESSURE: 3401000 -179.107 -57.8459 25.6778 -57.8462 -17.7051 121.629 25.6777 121.63 89.9942 GPRESSURE: 3401000 -166.926 -64.2859 100.132 30.9534 5.87081 67.2505 -6.87684 180.55 151.773 PRESSAVG: 3401000 -85.383 23.0196 27.4865 23.0196 41.1499 2.71096 27.4866 2.71088 -13.9446 GPRESSAVG: 3401000 -84.209 21.8355 27.5856 21.6771 42.007 2.9522 28.8564 1.8314 -16.2817 TIMING: 3401000 CPU: 10125.2, 0.00295581/step Wall: 10125.2, 0.00295581/step, 1.31287 hours remaining, 207.312500 MB of memory in use. ENERGY: 3401000 755.2772 2088.2461 1905.7082 121.4916 -206246.9791 17926.6274 0.0000 0.0000 34237.6202 -149212.0083 299.0057 -183449.6286 -149112.3836 299.9303 -35.6058 -3.0941 559599.8504 -19.3926 -19.4946 PRESSURE: 3401200 167.839 88.5199 28.5541 88.5196 232.017 18.7608 28.5542 18.76 -209.285 GPRESSURE: 3401200 154.689 174.433 119.611 94.3095 279.668 23.1804 5.26516 -73.575 -143.613 PRESSAVG: 3401200 18.7678 32.5414 40.0281 32.5414 -56.2228 -12.36 40.028 -12.3599 11.1851 GPRESSAVG: 3401200 18.3186 35.1473 40.0673 32.6635 -56.638 -12.7618 40.9331 -10.6312 13.3045 TIMING: 3401200 CPU: 10125.8, 0.00293057/step Wall: 10125.8, 0.00293057/step, 1.3015 hours remaining, 207.312500 MB of memory in use. ENERGY: 3401200 714.2211 2114.8665 1955.0358 115.4226 -206238.2248 17970.8845 0.0000 0.0000 34182.7996 -149184.9948 298.5269 -183367.7944 -149092.7386 299.3685 63.5238 96.9147 557617.8588 -8.7566 -8.3383 PRESSURE: 3401400 -428.624 129.944 -150.909 129.943 -87.5238 77.6764 -150.908 77.6757 -257.265 GPRESSURE: 3401400 -377.583 202.169 -45.5848 65.6662 -38.7926 -70.94 -138.487 196.439 -251.506 PRESSAVG: 3401400 -43.4443 38.3222 44.3686 38.3223 23.4382 1.76306 44.3687 1.76297 10.2199 GPRESSAVG: 3401400 -44.6773 34.1131 43.7266 40.8319 23.7201 1.86469 43.5607 0.0970253 11.2664 TIMING: 3401400 CPU: 10126.4, 0.0029515/step Wall: 10126.4, 0.0029515/step, 1.31063 hours remaining, 207.312500 MB of memory in use. ENERGY: 3401400 746.7483 2060.6045 1972.1780 110.0089 -205894.9695 17457.6009 0.0000 0.0000 34166.6170 -149381.2119 298.3856 -183547.8289 -149277.7916 298.9955 -257.8042 -222.6275 558813.7005 -3.2621 -3.2303 PRESSURE: 3401600 136.742 16.264 -21.4719 16.2639 28.5377 -48.5336 -21.4717 -48.5331 -14.7243 GPRESSURE: 3401600 216.553 46.9718 -106.967 -10.4172 18.5672 -126.704 51.3769 -20.8336 16.4545 PRESSAVG: 3401600 -14.5331 22.4956 40.2993 22.4957 5.25209 9.10755 40.2994 9.10759 13.8608 GPRESSAVG: 3401600 -13.5003 25.5833 41.5563 20.2157 5.18846 9.6928 40.5623 7.37171 13.0835 TIMING: 3401600 CPU: 10127, 0.00297207/step Wall: 10127, 0.00297207/step, 1.3196 hours remaining, 207.312500 MB of memory in use. ENERGY: 3401600 779.0877 2135.8120 1939.1897 112.7183 -206644.3855 18074.5117 0.0000 0.0000 34146.9355 -149456.1307 298.2137 -183603.0662 -149358.5796 298.5722 50.1852 83.8583 557433.9395 1.5266 1.5906 PRESSURE: 3401800 388.384 -99.1872 152.029 -99.1861 -118.358 -40.3599 152.03 -40.3598 87.2229 GPRESSURE: 3401800 399.972 -173.687 176.887 -40.7233 -69.878 54.8664 66.2171 -102.515 135.967 PRESSAVG: 3401800 47.7685 -46.753 67.7232 -46.753 -63.8324 -38.8029 67.7233 -38.8029 14.8049 GPRESSAVG: 3401800 48.0101 -46.8983 66.3066 -44.846 -63.2518 -40.1866 68.0572 -35.2715 14.344 TIMING: 3401800 CPU: 10127.6, 0.00292609/step Wall: 10127.6, 0.00292609/step, 1.29902 hours remaining, 207.312500 MB of memory in use. ENERGY: 3401800 714.9068 2076.2361 1940.7908 118.9524 -206341.0511 17976.5495 0.0000 0.0000 34082.7421 -149430.8734 297.6531 -183513.6155 -149341.8092 298.7641 119.0830 155.3536 558425.5452 -0.4197 -0.2992 PRESSURE: 3402000 -76.6216 -100.366 124.184 -100.367 108.428 -76.5499 124.185 -76.5499 -227.823 GPRESSURE: 3402000 -52.0011 -3.52237 76.8793 -34.1619 117.862 -20.5255 41.2635 -127.748 -159.239 PRESSAVG: 3402000 13.7759 -11.1163 59.8883 -11.1163 -17.7571 3.61985 59.8883 3.61971 43.3134 GPRESSAVG: 3402000 13.4561 -10.7823 60.2248 -11.2339 -18.1645 4.07308 57.7241 3.87272 43.6473 TIMING: 3402000 CPU: 10128.2, 0.0029439/step Wall: 10128.2, 0.0029439/step, 1.30676 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3402000 702.6056 2074.8323 1966.3060 106.9614 -205935.3802 17569.9173 0.0000 0.0000 34217.9151 -149296.8425 298.8336 -183514.7576 -149195.5457 299.2635 -65.3388 -31.1262 558151.3547 13.1107 12.9796 PRESSURE: 3402200 -73.9226 -47.0442 -134.689 -47.0443 -6.27536 22.2125 -134.69 22.2131 -325.515 GPRESSURE: 3402200 1.81492 4.89679 -100.024 -113.525 -14.1631 -30.9232 -137.69 2.798 -289.957 PRESSAVG: 3402200 9.01711 -22.2524 -3.92025 -22.2524 28.5579 -0.545198 -3.92032 -0.545253 -27.4183 GPRESSAVG: 3402200 9.37212 -22.9526 -3.54186 -22.531 29.3515 0.179095 -0.916439 -1.11996 -28.1386 TIMING: 3402200 CPU: 10128.8, 0.00293708/step Wall: 10128.8, 0.00293708/step, 1.30357 hours remaining, 207.312500 MB of memory in use. ENERGY: 3402200 751.4644 2084.6678 1956.6393 110.3773 -206201.4486 17728.4612 0.0000 0.0000 34574.2811 -148995.5574 301.9458 -183569.8386 -148901.7113 299.6184 -135.2375 -100.7683 558819.3979 3.3856 3.5283 PRESSURE: 3402400 10.7508 85.1474 108.51 85.1485 13.3012 -55.263 108.51 -55.2621 -135.135 GPRESSURE: 3402400 0.283777 17.4541 102.106 135.146 76.9673 -45.837 74.2068 -117.485 -86.1663 PRESSAVG: 3402400 20.7713 -29.0198 -77.1824 -29.0198 -41.5667 -3.4658 -77.1824 -3.46589 10.3239 GPRESSAVG: 3402400 20.5476 -30.2717 -77.0752 -28.6314 -42.2098 -2.64136 -79.1543 -4.03011 11.2074 TIMING: 3402400 CPU: 10129.4, 0.0029426/step Wall: 10129.4, 0.0029426/step, 1.30586 hours remaining, 207.312500 MB of memory in use. ENERGY: 3402400 730.2448 2018.0044 1962.4645 112.4748 -205980.7007 17907.1183 0.0000 0.0000 34395.1773 -148855.2166 300.3816 -183250.3939 -148763.1232 299.5767 -37.0276 -2.9717 559601.3798 -3.4905 -3.4849 PRESSURE: 3402600 -206.05 180.831 48.7338 180.83 -111.242 -31.5261 48.7342 -31.5257 -159.402 GPRESSURE: 3402600 -185.501 185.43 116.82 109.862 -63.8657 19.6993 -84.0494 -34.7011 -129.088 PRESSAVG: 3402600 37.1454 31.445 -11.6388 31.445 26.4376 -13.7302 -11.6389 -13.7302 -50.1399 GPRESSAVG: 3402600 37.7481 33.012 -12.2551 31.3099 26.7474 -13.9279 -10.9799 -14.0189 -51.2298 TIMING: 3402600 CPU: 10130, 0.00296481/step Wall: 10130, 0.00296481/step, 1.31555 hours remaining, 207.312500 MB of memory in use. ENERGY: 3402600 719.1325 2064.1340 1957.7551 103.5802 -205735.2601 17635.4168 0.0000 0.0000 34390.0890 -148865.1525 300.3372 -183255.2415 -148766.7478 300.1224 -158.8982 -126.1516 558986.6624 4.4811 4.4219 PRESSURE: 3402800 -37.8661 -77.4604 6.33478 -77.4612 -126.247 153.012 6.33468 153.011 -88.6817 GPRESSURE: 3402800 28.72 -62.7773 108.326 -69.9139 -127.778 183.111 -27.3237 102.077 -69.1985 PRESSAVG: 3402800 44.1523 -5.57449 6.23345 -5.57439 -99.4933 -71.537 6.23356 -71.537 40.0002 GPRESSAVG: 3402800 43.892 -6.13869 6.93677 -6.8981 -100.047 -72.7475 5.08307 -69.8104 40.937 TIMING: 3402800 CPU: 10130.5, 0.0029533/step Wall: 10130.5, 0.0029533/step, 1.31028 hours remaining, 207.312500 MB of memory in use. ENERGY: 3402800 739.5906 2151.6826 1975.7893 121.5933 -206102.6242 17756.2900 0.0000 0.0000 34405.1297 -148952.5485 300.4686 -183357.6782 -148861.1141 300.3393 -84.2650 -56.0854 559229.7960 -5.1136 -5.0728 PRESSURE: 3403000 13.2153 10.6514 70.1922 10.6505 31.0831 -57.8411 70.1919 -57.8409 -138.562 GPRESSURE: 3403000 22.1272 56.6071 189.433 1.52379 82.507 16.1581 20.4083 -158.56 -93.1362 PRESSAVG: 3403000 -19.1352 -7.15249 2.69737 -7.15252 -9.7402 16.1482 2.69739 16.1483 -6.97014 GPRESSAVG: 3403000 -19.4938 -7.54291 1.72764 -5.7755 -8.27566 14.8631 4.23957 16.2207 -7.38059 TIMING: 3403000 CPU: 10131.1, 0.00293758/step Wall: 10131.1, 0.00293758/step, 1.30314 hours remaining, 207.312500 MB of memory in use. ENERGY: 3403000 763.1574 2070.9225 1947.1500 115.3963 -206146.0343 17868.9538 0.0000 0.0000 34485.0769 -148895.3773 301.1668 -183380.4542 -148802.4031 300.1907 -31.4211 3.8327 559482.9479 -11.9485 -11.7167 PRESSURE: 3403200 4.45317 104.423 62.9537 104.422 -84.3864 2.53894 62.954 2.53771 -170.894 GPRESSURE: 3403200 43.1565 57.2833 49.2338 158.85 -70.1237 37.3128 16.0408 20.2558 -124.413 PRESSAVG: 3403200 70.9542 13.9446 36.0132 13.9446 55.3408 -25.11 36.0133 -25.1099 -80.5095 GPRESSAVG: 3403200 72.5717 13.4705 35.1952 13.8341 53.2666 -23.2786 33.955 -27.7703 -80.3155 TIMING: 3403200 CPU: 10131.7, 0.0029166/step Wall: 10131.7, 0.0029166/step, 1.29367 hours remaining, 207.312500 MB of memory in use. ENERGY: 3403200 731.5072 2143.8213 1926.9821 110.6699 -205922.7964 17736.6130 0.0000 0.0000 34358.8710 -148914.3318 300.0646 -183273.2028 -148818.8502 299.6323 -83.6090 -50.4602 558997.2634 15.2618 15.1742 PRESSURE: 3403400 -268.666 -41.6666 -42.5425 -41.6656 -87.0276 38.3281 -42.5415 38.327 -200.067 GPRESSURE: 3403400 -232.063 -59.168 -21.7963 11.7181 -48.3763 43.1165 -57.9049 81.7241 -192.362 PRESSAVG: 3403400 62.5329 22.5187 -40.4695 22.5188 18.6784 8.74353 -40.4694 8.74369 -73.8338 GPRESSAVG: 3403400 61.8587 23.3201 -38.1816 21.9453 19.9316 8.92296 -40.3901 8.91253 -73.999 TIMING: 3403400 CPU: 10132.3, 0.00290444/step Wall: 10132.3, 0.00290444/step, 1.28812 hours remaining, 207.312500 MB of memory in use. ENERGY: 3403400 718.0173 2089.5057 1948.0072 113.2737 -205698.6687 17520.0796 0.0000 0.0000 34149.5562 -149160.2290 298.2366 -183309.7852 -149064.7451 300.2208 -185.2535 -157.6004 558732.2580 2.4592 2.5971 PRESSURE: 3403600 174.153 -32.5379 74.5735 -32.5372 -31.9186 -103.389 74.574 -103.388 -259.433 GPRESSURE: 3403600 193.174 -52.3966 54.6349 -64.2189 -5.41348 -97.3596 60.7833 -139.981 -202.402 PRESSAVG: 3403600 36.9681 13.4219 -22.2714 13.422 -34.1644 32.5735 -22.2713 32.5736 4.43147 GPRESSAVG: 3403600 36.6247 14.0436 -22.2402 12.981 -34.6048 32.3776 -21.7592 32.4735 5.70472 TIMING: 3403600 CPU: 10132.9, 0.00293705/step Wall: 10132.9, 0.00293705/step, 1.30242 hours remaining, 207.312500 MB of memory in use. ENERGY: 3403600 730.8743 2153.5859 1954.6053 115.1530 -206105.6629 17594.1952 0.0000 0.0000 34227.7373 -149329.5120 298.9193 -183557.2493 -149227.6356 299.1141 -39.0661 -4.8804 556705.9736 2.4117 2.5749 PRESSURE: 3403800 129.42 -146.778 23.929 -146.777 117.522 101.972 23.9292 101.971 176.993 GPRESSURE: 3403800 167.347 -158.342 -12.3503 -147.97 76.3474 74.6242 -27.5083 118 264.17 PRESSAVG: 3403800 64.6092 -40.0782 26.7026 -40.0782 -10.6406 63.4134 26.7025 63.4133 -30.8852 GPRESSAVG: 3403800 64.7242 -40.6084 25.8978 -39.9955 -12.052 64.6568 26.6276 62.1764 -30.5859 TIMING: 3403800 CPU: 10133.5, 0.00294049/step Wall: 10133.5, 0.00294049/step, 1.30378 hours remaining, 207.312500 MB of memory in use. ENERGY: 3403800 746.5301 2087.9908 1918.4726 94.3985 -206415.7854 18080.4585 0.0000 0.0000 34093.0844 -149394.8505 297.7434 -183487.9349 -149293.2469 298.7916 141.3116 169.2883 558461.0191 7.6945 7.3621 PRESSURE: 3404000 21.5534 -89.4735 -150.574 -89.4737 -189.632 -9.75204 -150.575 -9.75274 107.614 GPRESSURE: 3404000 72.7971 -34.1982 -186.741 -157.972 -163.076 -24.1426 -141.91 90.4307 134.244 PRESSAVG: 3404000 -70.3895 -15.7528 -6.90403 -15.7529 64.087 23.0511 -6.90406 23.0513 15.9391 GPRESSAVG: 3404000 -69.0941 -15.8471 -6.10192 -17.5084 64.841 22.5316 -5.24841 24.86 14.8843 TIMING: 3404000 CPU: 10134.1, 0.00292003/step Wall: 10134.1, 0.00292003/step, 1.29454 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3404000 761.7188 2117.9784 1950.1045 112.9403 -206553.0727 17888.7273 0.0000 0.0000 34229.6859 -149491.9176 298.9364 -183721.6034 -149396.2128 298.7198 -20.1550 14.6552 556647.7217 3.2122 3.5437 PRESSURE: 3404200 -105.662 -26.5932 -2.9361 -26.5929 99.2163 149.305 -2.93605 149.306 -142.326 GPRESSURE: 3404200 -115.15 16.7207 -59.9689 -32.5007 134.833 68.9006 90.3586 143.298 -59.174 PRESSAVG: 3404200 15.7559 -43.4701 31.7093 -43.4701 -6.08001 -18.3237 31.7093 -18.3237 -8.72207 GPRESSAVG: 3404200 14.9254 -43.4981 32.2939 -42.4789 -5.37884 -19.3882 28.577 -19.0583 -9.00355 TIMING: 3404200 CPU: 10134.6, 0.00292698/step Wall: 10134.6, 0.00292698/step, 1.29747 hours remaining, 207.312500 MB of memory in use. ENERGY: 3404200 769.1388 2109.6399 1957.2054 104.8823 -206367.2847 17707.4648 0.0000 0.0000 34200.0240 -149518.9295 298.6773 -183718.9534 -149423.9483 299.1920 -49.5906 -13.1636 555183.8975 0.3179 0.1810 LDB: ============= START OF LOAD BALANCING ============== 10138.2 LDB: ============== END OF LOAD BALANCING =============== 10138.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10138.2 LDB: ============= START OF LOAD BALANCING ============== 10138.5 LDB: Largest compute 4772 load 0.024791 is 21.0% of average load 0.118237 LDB: Average compute 0.001723 is 1.5% of average load 0.118237 LDB: TIME 10138.5 LOAD: AVG 0.118237 MAX 0.198364 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.887 MB LDB: TIME 10138.5 LOAD: AVG 0.118237 MAX 0.198364 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.887 MB LDB: TIME 10138.5 LOAD: AVG 0.118237 MAX 0.198364 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.887 MB LDB: ============== END OF LOAD BALANCING =============== 10138.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10138.5 PRESSURE: 3404400 -111.241 -93.1727 8.01334 -93.1706 -31.9113 43.8524 8.01407 43.8506 -207.543 GPRESSURE: 3404400 -109.103 -151.784 -47.8066 -90.9143 -54.8442 62.404 -79.371 47.3489 -97.7498 PRESSAVG: 3404400 62.1948 -52.3904 5.43583 -52.3903 10.8295 44.5748 5.43588 44.5747 -82.2156 GPRESSAVG: 3404400 63.0988 -51.7318 5.67456 -50.5178 9.62549 45.1273 6.0508 44.0569 -82.1931 TIMING: 3404400 CPU: 10135.2, 0.00301562/step Wall: 10135.2, 0.00301562/step, 1.33659 hours remaining, 208.085938 MB of memory in use. ENERGY: 3404400 777.8438 2103.1887 1964.2533 115.2571 -206099.1391 17562.8530 0.0000 0.0000 34217.8760 -149357.8672 298.8332 -183575.7432 -149260.6054 298.8450 -116.8986 -87.2324 555132.7544 -3.0638 -3.1563 PRESSURE: 3404600 -109.949 41.848 -41.7639 41.8483 17.9777 43.608 -41.764 43.6074 -179.74 GPRESSURE: 3404600 -7.842 -33.0388 45.1484 40.3934 55.9795 80.2214 -105.834 101.258 -216.091 PRESSAVG: 3404600 -20.7816 -67.387 65.9187 -67.387 71.5285 71.2082 65.9186 71.2081 -81.9227 GPRESSAVG: 3404600 -21.5775 -69.3722 65.0475 -67.239 72.5974 72.7252 66.097 71.5179 -81.9736 TIMING: 3404600 CPU: 10135.8, 0.00293397/step Wall: 10135.8, 0.00293397/step, 1.30024 hours remaining, 208.156250 MB of memory in use. ENERGY: 3404600 751.5397 2092.5774 1961.1208 110.9827 -206276.2086 17734.3952 0.0000 0.0000 34219.2325 -149406.3604 298.8451 -183625.5929 -149313.0927 298.8461 -90.5707 -55.9846 556280.5964 -10.3919 -10.3179 PRESSURE: 3404800 -199.066 39.0485 82.281 39.0489 -314.009 -40.9417 82.281 -40.9393 -118.001 GPRESSURE: 3404800 -159.628 11.7238 119.082 -8.14869 -252.833 -105.752 81.8896 17.628 -120.917 PRESSAVG: 3404800 66.4027 -12.7286 -4.50818 -12.7286 15.6391 35.2729 -4.5082 35.273 -52.2993 GPRESSAVG: 3404800 67.0927 -11.8741 -5.14838 -15.115 15.5304 34.2574 -4.42933 36.8051 -53.3589 TIMING: 3404800 CPU: 10136.4, 0.00295494/step Wall: 10136.4, 0.00295494/step, 1.30936 hours remaining, 208.156250 MB of memory in use. ENERGY: 3404800 748.5044 2030.9345 1948.2801 119.0782 -206202.5934 17636.3923 0.0000 0.0000 34326.0779 -149393.3260 299.7782 -183719.4039 -149297.0462 299.0394 -210.3584 -177.7928 557253.9360 9.9142 9.7547 PRESSURE: 3405000 -148.79 -38.7289 116.994 -38.7283 -131.622 -113.871 116.993 -113.873 -228.668 GPRESSURE: 3405000 -68.622 9.97245 104.666 28.0594 -73.6856 -112.976 125.567 -98.8377 -280.196 PRESSAVG: 3405000 4.12774 -33.6878 -8.3254 -33.6878 21.7156 32.1633 -8.32536 32.1633 -13.519 GPRESSAVG: 3405000 4.07482 -32.3044 -9.39112 -32.5871 21.8366 31.5009 -8.0219 31.0072 -13.1069 TIMING: 3405000 CPU: 10137, 0.00294572/step Wall: 10137, 0.00294572/step, 1.30512 hours remaining, 208.156250 MB of memory in use. ENERGY: 3405000 756.8998 2048.2301 1957.0386 116.5931 -205613.4580 17332.6539 0.0000 0.0000 34108.7656 -149293.2769 297.8803 -183402.0425 -149199.2128 299.3515 -169.6933 -140.8346 557148.6232 4.1081 4.2682 PRESSURE: 3405200 -228.597 -45.1162 57.8078 -45.1175 -136.362 -124.418 57.807 -124.419 -377.169 GPRESSURE: 3405200 -197.925 2.09421 17.4721 -51.051 -125.387 -137.66 176.341 -153.591 -337.077 PRESSAVG: 3405200 68.3102 -28.5922 -13.1626 -28.5922 47.8189 -29.9042 -13.1626 -29.9041 -77.8284 GPRESSAVG: 3405200 66.595 -29.6362 -13.4883 -30.5455 47.6715 -31.7283 -13.1326 -29.5445 -76.0121 TIMING: 3405200 CPU: 10137.6, 0.00294349/step Wall: 10137.6, 0.00294349/step, 1.30397 hours remaining, 208.156250 MB of memory in use. ENERGY: 3405200 729.9813 2064.8980 1931.2179 110.5989 -205471.2536 17381.9838 0.0000 0.0000 34142.3480 -149110.2256 298.1736 -183252.5736 -149015.6651 299.0794 -247.3761 -220.1295 557288.3632 12.7669 12.7514 PRESSURE: 3405400 36.3469 9.52307 -98.1123 9.52303 23.577 41.2845 -98.1112 41.2843 -63.754 GPRESSURE: 3405400 113.405 125.66 -113.95 -52.034 18.088 19.8995 -57.6317 61.1636 -51.3515 PRESSAVG: 3405400 -16.1351 -18.1175 -16.8087 -18.1176 55.871 -30.4609 -16.8087 -30.4609 -31.0515 GPRESSAVG: 3405400 -14.3094 -16.6579 -15.452 -16.9408 55.8192 -28.9842 -16.0552 -29.7706 -33.0734 TIMING: 3405400 CPU: 10138.2, 0.0029307/step Wall: 10138.2, 0.0029307/step, 1.29814 hours remaining, 208.156250 MB of memory in use. ENERGY: 3405400 730.9150 2100.1132 1931.7791 120.3245 -206077.4213 17714.5657 0.0000 0.0000 34304.2701 -149175.4538 299.5877 -183479.7239 -149073.5343 299.9649 -1.2767 26.7137 556760.9625 2.8948 2.8121 PRESSURE: 3405600 137.973 212.396 244.867 212.396 83.9498 149.242 244.867 149.242 -143.048 GPRESSURE: 3405600 194.923 95.0058 277.641 204.987 89.9179 170.484 270.458 127.521 -102.489 PRESSAVG: 3405600 -46.4578 -8.95249 21.4119 -8.95249 -2.79741 13.9158 21.412 13.9156 20.878 GPRESSAVG: 3405600 -47.9129 -10.9669 21.4971 -7.99686 -2.36025 14.7754 21.2898 14.8043 21.9815 TIMING: 3405600 CPU: 10138.8, 0.00295331/step Wall: 10138.8, 0.00295331/step, 1.30799 hours remaining, 208.156250 MB of memory in use. ENERGY: 3405600 767.8390 2065.9649 1933.7367 112.4795 -206023.5268 17969.0305 0.0000 0.0000 34087.8744 -149086.6017 297.6979 -183174.4761 -148987.8994 299.3557 26.2915 60.7838 558586.8119 -9.4591 -9.4306 PRESSURE: 3405800 -27.1282 -37.2875 77.4705 -37.287 207.39 -8.06467 77.4706 -8.06665 351.631 GPRESSURE: 3405800 1.87658 -79.4284 137.376 -19.126 261.328 50.6905 -73.5358 -45.3846 377.907 PRESSAVG: 3405800 -2.4489 -17.2016 32.1581 -17.2016 33.3276 13.3282 32.158 13.3281 -62.4185 GPRESSAVG: 3405800 -1.99535 -17.9812 29.771 -16.9487 32.6457 13.7734 32.5786 11.9076 -62.6785 TIMING: 3405800 CPU: 10139.4, 0.00296299/step Wall: 10139.4, 0.00296299/step, 1.31211 hours remaining, 208.156250 MB of memory in use. ENERGY: 3405800 753.2873 2094.9856 1924.5306 97.7527 -206099.0087 17935.0728 0.0000 0.0000 34307.1509 -148986.2289 299.6129 -183293.3798 -148895.2266 300.1937 177.2977 213.7036 556515.8992 -10.5133 -10.6760 PRESSURE: 3406000 -251.606 120.736 134.86 120.736 -105.266 -29.4084 134.86 -29.4084 112.138 GPRESSURE: 3406000 -166.776 152.894 163.789 71.6254 -46.7107 -12.9429 107.371 -3.03466 66.6405 PRESSAVG: 3406000 -18.5796 32.2604 -25.2888 32.2604 -19.9457 -62.1667 -25.2888 -62.1666 70.1944 GPRESSAVG: 3406000 -18.2259 34.6261 -23.1421 30.8431 -19.9288 -63.5594 -25.2018 -61.7346 69.353 TIMING: 3406000 CPU: 10140, 0.00295891/step Wall: 10140, 0.00295891/step, 1.31014 hours remaining, 208.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3406000 745.1434 2081.0743 1961.3034 111.7326 -205821.0296 17573.9535 0.0000 0.0000 34332.0729 -149015.7494 299.8305 -183347.8223 -148917.3465 299.9650 -81.5783 -48.9486 557884.3218 10.5564 10.3994 PRESSURE: 3406200 -242.464 -0.171703 -9.54724 -0.171416 -151.852 -81.5289 -9.54709 -81.528 -36.0985 GPRESSURE: 3406200 -221.079 40.3004 -62.8308 -8.00937 -149.932 -53.9325 66.2266 -158.888 36.2026 PRESSAVG: 3406200 -12.0512 70.6177 85.0375 70.6177 -25.3653 -44.7174 85.0375 -44.7174 36.6721 GPRESSAVG: 3406200 -12.5586 67.373 84.5221 70.6399 -26.4282 -45.9349 84.7125 -43.655 38.1762 TIMING: 3406200 CPU: 10140.5, 0.00294673/step Wall: 10140.5, 0.00294673/step, 1.30458 hours remaining, 208.156250 MB of memory in use. ENERGY: 3406200 728.1161 2049.8840 1932.9126 103.2335 -205954.3338 17707.6003 0.0000 0.0000 34241.4797 -149191.1077 299.0394 -183432.5873 -149097.4395 299.4538 -143.4715 -111.6028 557679.6391 -0.2481 -0.2702 PRESSURE: 3406400 8.30037 151.347 -140.715 151.347 -223.991 46.4133 -140.714 46.4129 -234.273 GPRESSURE: 3406400 75.7482 191.603 -156.736 205.79 -184.019 99.8684 -42.0784 -64.113 -243.706 PRESSAVG: 3406400 62.3574 47.7071 -3.9222 47.7071 -32.7545 -78.2047 -3.92227 -78.2047 -41.3008 GPRESSAVG: 3406400 62.6348 50.0892 -2.30148 49.4153 -32.5848 -76.6408 -4.08905 -79.1201 -41.5957 TIMING: 3406400 CPU: 10141.1, 0.00295866/step Wall: 10141.1, 0.00295866/step, 1.3097 hours remaining, 208.156250 MB of memory in use. ENERGY: 3406400 720.7570 2034.2864 1906.7303 118.9745 -205518.1166 17570.3763 0.0000 0.0000 34173.6384 -148993.3537 298.4469 -183166.9921 -148895.1155 299.1348 -149.9878 -117.3254 559222.4458 -3.8993 -3.8485 PRESSURE: 3406600 -44.895 -55.2939 108.874 -55.2944 -126.183 -81.3138 108.873 -81.3116 -175.698 GPRESSURE: 3406600 5.14612 -76.9652 107.571 -52.1985 -142.46 -73.3793 79.2299 -55.6101 -112.766 PRESSAVG: 3406600 84.5767 42.5333 -2.28093 42.5334 -65.6598 -41.0196 -2.28086 -41.0195 -10.9374 GPRESSAVG: 3406600 84.9289 42.066 -1.83471 42.7417 -65.9461 -41.4933 -0.60109 -41.5843 -11.1005 TIMING: 3406600 CPU: 10141.7, 0.00296905/step Wall: 10141.7, 0.00296905/step, 1.31413 hours remaining, 208.156250 MB of memory in use. ENERGY: 3406600 772.9576 2000.5444 1972.0900 114.3645 -205835.6284 17611.7996 0.0000 0.0000 34336.1945 -149027.6777 299.8665 -183363.8722 -148933.7985 299.6386 -115.5921 -83.3600 557672.8586 2.6598 2.6274 PRESSURE: 3406800 -2.61026 123.184 -132.215 123.184 -37.7791 -27.6133 -132.216 -27.6132 -108.88 GPRESSURE: 3406800 73.6794 20.4206 -140.369 142.33 42.1012 -71.2097 -93.5152 18.977 -164.658 PRESSAVG: 3406800 33.3231 0.535073 30.2012 0.535011 -56.8542 -54.9178 30.2012 -54.9179 30.1893 GPRESSAVG: 3406800 32.8352 -0.792637 30.1116 1.42411 -56.9152 -56.0772 26.7765 -54.0365 30.4531 TIMING: 3406800 CPU: 10142.3, 0.00298922/step Wall: 10142.3, 0.00298922/step, 1.32289 hours remaining, 208.156250 MB of memory in use. ENERGY: 3406800 772.5231 2084.8289 1926.0462 127.6801 -206122.2729 17832.0031 0.0000 0.0000 34479.8282 -148899.3633 301.1209 -183379.1915 -148799.8170 299.8460 -49.7566 -16.2924 557931.5338 2.2194 2.1243 PRESSURE: 3407000 -201.654 97.7867 -40.0999 97.7867 -144.672 152.834 -40.1003 152.832 -239.933 GPRESSURE: 3407000 -133.526 138.384 -68.4059 90.0397 -136.98 209.654 -48.0548 88.0328 -219.035 PRESSAVG: 3407000 29.1024 30.092 -52.4784 30.092 -7.28705 -8.04583 -52.4785 -8.04576 19.6982 GPRESSAVG: 3407000 29.2415 32.0101 -54.4545 27.6502 -7.00522 -7.17084 -49.0624 -8.31371 19.3753 TIMING: 3407000 CPU: 10142.9, 0.0029773/step Wall: 10142.9, 0.0029773/step, 1.31746 hours remaining, 208.156250 MB of memory in use. ENERGY: 3407000 806.0960 2055.5511 1912.8506 117.2335 -205802.3697 17519.3214 0.0000 0.0000 34446.7779 -148944.5393 300.8323 -183391.3171 -148852.7346 299.4350 -195.4197 -163.1803 558399.7027 13.8379 13.8705 PRESSURE: 3407200 156.845 -109.521 -22.9285 -109.521 100.982 -14.9941 -22.9277 -14.9932 -200.311 GPRESSURE: 3407200 236.434 -192.864 -10.1355 -69.4977 73.7929 27.1022 32.0195 -30.7829 -161.161 PRESSAVG: 3407200 17.8231 -18.6026 -9.78464 -18.6026 13.3769 8.65092 -9.78464 8.65116 5.86765 GPRESSAVG: 3407200 18.52 -20.6323 -10.6159 -17.1678 12.2833 6.66487 -8.97747 8.82377 6.07816 TIMING: 3407200 CPU: 10143.5, 0.00293601/step Wall: 10143.5, 0.00293601/step, 1.29902 hours remaining, 208.156250 MB of memory in use. ENERGY: 3407200 796.2573 2048.3045 1920.2915 100.9381 -206386.4056 18041.6084 0.0000 0.0000 34540.4965 -148938.5092 301.6507 -183479.0058 -148847.1375 300.3769 19.1722 49.6888 557344.6782 12.3559 12.2938 PRESSURE: 3407400 195.965 4.52411 -64.6708 4.52298 129.903 -23.9369 -64.672 -23.9358 -114.594 GPRESSURE: 3407400 218.914 50.8057 -75.9282 2.6707 195.442 -76.3789 -71.8321 -102.123 -116.877 PRESSAVG: 3407400 11.8929 23.6483 -49.5018 23.6484 54.8727 18.9645 -49.5019 18.9645 -30.3459 GPRESSAVG: 3407400 12.4801 25.4728 -46.8931 22.0905 54.7715 17.6907 -51.1039 19.1158 -30.9627 TIMING: 3407400 CPU: 10144.1, 0.00293524/step Wall: 10144.1, 0.00293524/step, 1.29852 hours remaining, 208.156250 MB of memory in use. ENERGY: 3407400 705.6212 2047.3825 1925.8707 127.5691 -205678.6806 17660.2509 0.0000 0.0000 34281.2669 -148930.7193 299.3868 -183211.9862 -148844.3003 300.1168 70.4247 99.1595 557882.6664 12.1399 12.0963 PRESSURE: 3407600 231.088 92.9124 190.56 92.9129 89.3655 69.1399 190.559 69.14 9.52197 GPRESSURE: 3407600 235.563 187.222 164.659 84.8359 154.093 45.4649 151.921 90.0203 26.108 PRESSAVG: 3407600 47.0572 21.4566 7.48349 21.4566 -42.1277 -56.37 7.4835 -56.3701 -2.88728 GPRESSAVG: 3407600 46.607 23.4257 5.85132 22.5794 -42.3915 -53.8798 9.85332 -56.8942 -2.28866 TIMING: 3407600 CPU: 10144.7, 0.00293518/step Wall: 10144.7, 0.00293518/step, 1.29833 hours remaining, 208.156250 MB of memory in use. ENERGY: 3407600 742.7981 2051.6052 1950.0043 108.0868 -206018.5346 17907.0127 0.0000 0.0000 34365.6896 -148893.3379 300.1241 -183259.0274 -148796.1810 300.2494 109.9919 138.5881 558150.5492 0.6807 0.6423 PRESSURE: 3407800 2.66967 -103.988 110.86 -103.986 111.349 -56.147 110.862 -56.1481 105.407 GPRESSURE: 3407800 20.3363 -37.4654 117.86 -114.158 129.654 -42.5574 114.122 -22.1324 163.59 PRESSAVG: 3407800 -7.36704 18.5836 2.93069 18.5837 16.1978 -34.1127 2.93069 -34.1127 3.45612 GPRESSAVG: 3407800 -7.99743 16.8732 5.67668 19.4616 16.6491 -32.1082 2.55952 -34.8011 3.8304 TIMING: 3407800 CPU: 10145.3, 0.00293632/step Wall: 10145.3, 0.00293632/step, 1.29867 hours remaining, 208.156250 MB of memory in use. ENERGY: 3407800 732.7204 2106.7211 1920.4010 116.6428 -205648.6757 17688.6077 0.0000 0.0000 34160.0111 -148923.5717 298.3279 -183083.5828 -148832.1681 300.0420 73.1419 104.5269 556808.6682 4.0956 4.1607 PRESSURE: 3408000 151.57 118.557 109.047 118.558 -194.597 -85.567 109.048 -85.5667 28.5363 GPRESSURE: 3408000 197.496 186.767 134.056 -16.482 -163.759 -93.0452 79.9752 41.2394 42.8178 PRESSAVG: 3408000 15.3676 10.213 22.8614 10.213 -41.1616 4.36655 22.8615 4.36647 54.9053 GPRESSAVG: 3408000 17.3809 9.67198 23.5004 9.96637 -41.591 3.21659 20.3848 1.99324 53.1836 TIMING: 3408000 CPU: 10145.9, 0.00294965/step Wall: 10145.9, 0.00294965/step, 1.3044 hours remaining, 208.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3408000 733.0956 2121.8030 1938.7449 114.5014 -206230.3543 17832.9117 0.0000 0.0000 34575.9471 -148913.3506 301.9603 -183489.2978 -148810.0633 300.5638 -4.8303 25.5182 558139.8526 9.7037 9.6579 PRESSURE: 3408200 -22.5446 -126.18 102.372 -126.18 15.4694 -3.64175 102.373 -3.64273 -168.103 GPRESSURE: 3408200 25.8093 -101.806 117.899 -83.0984 6.02517 -57.7807 63.1401 48.6213 -122.448 PRESSAVG: 3408200 -27.7423 46.4203 5.11417 46.4203 -43.4539 -21.0408 5.11424 -21.0407 47.3206 GPRESSAVG: 3408200 -29.5661 46.0668 7.46118 47.5095 -43.6994 -22.7502 3.97463 -18.5976 49.2472 TIMING: 3408200 CPU: 10146.5, 0.0029493/step Wall: 10146.5, 0.0029493/step, 1.30408 hours remaining, 208.156250 MB of memory in use. ENERGY: 3408200 795.4969 2118.4503 1947.7882 112.6250 -205989.4235 17747.3809 0.0000 0.0000 34371.1130 -148896.5690 300.1715 -183267.6820 -148802.5227 300.0365 -58.3927 -30.2047 557294.3740 -7.9585 -8.0061 LDB: ============= START OF LOAD BALANCING ============== 10150 LDB: ============== END OF LOAD BALANCING =============== 10150 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10150 LDB: ============= START OF LOAD BALANCING ============== 10150.3 LDB: Largest compute 4772 load 0.024641 is 20.8% of average load 0.118242 LDB: Average compute 0.001713 is 1.4% of average load 0.118242 LDB: TIME 10150.3 LOAD: AVG 0.118242 MAX 0.196848 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.57 MB LDB: TIME 10150.3 LOAD: AVG 0.118242 MAX 0.196848 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.57 MB LDB: TIME 10150.3 LOAD: AVG 0.118242 MAX 0.196848 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.57 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10150.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10150.3 PRESSURE: 3408400 141.754 -105.838 -3.51574 -105.837 118.537 -50.7169 -3.51571 -50.717 39.3667 GPRESSURE: 3408400 211.924 -79.5605 37.9066 -73.0016 118.106 -3.40471 -12.0983 -50.0433 77.5319 PRESSAVG: 3408400 37.6699 -9.71996 86.4671 -9.71992 -71.2285 -6.98112 86.4671 -6.98107 26.1702 GPRESSAVG: 3408400 38.3818 -6.25076 82.009 -10.6451 -71.1825 -3.97057 88.4014 -8.01506 25.4034 TIMING: 3408400 CPU: 10147.1, 0.0030092/step Wall: 10147.1, 0.0030092/step, 1.3304 hours remaining, 209.429688 MB of memory in use. ENERGY: 3408400 705.1325 2112.1758 1952.8812 109.7261 -206111.4519 17824.8782 0.0000 0.0000 34376.1512 -149030.5070 300.2155 -183406.6581 -148931.2532 299.8536 99.8859 135.8539 557743.4109 -2.4628 -2.4658 PRESSURE: 3408600 -170.889 -67.7336 31.7196 -67.7332 -155.387 211.297 31.7205 211.296 -97.0457 GPRESSURE: 3408600 -125.14 -73.9233 31.054 -47.9442 -172.881 274.353 -24.6442 114.462 -32.9581 PRESSAVG: 3408600 34.9641 38.7843 28.869 38.7843 2.79684 70.5846 28.8691 70.5846 -22.4668 GPRESSAVG: 3408600 34.1951 36.8143 28.9039 39.6578 3.57081 71.0119 30.28 69.9071 -22.264 TIMING: 3408600 CPU: 10147.7, 0.00297243/step Wall: 10147.7, 0.00297243/step, 1.31398 hours remaining, 209.632812 MB of memory in use. ENERGY: 3408600 734.0111 2097.6932 1926.0196 123.9770 -205987.8433 17632.6214 0.0000 0.0000 34302.6181 -149170.9029 299.5733 -183473.5211 -149070.7733 299.4641 -141.1072 -110.3263 558117.8332 5.0980 5.1673 PRESSURE: 3408800 23.9213 62.4752 -139.861 62.475 -55.7712 -175.189 -139.86 -175.188 27.33 GPRESSURE: 3408800 41.7358 63.2868 -163.931 44.3466 -29.5084 -140.006 -113.333 -115.335 73.8011 PRESSAVG: 3408800 -16.7146 -35.6756 73.0304 -35.6756 33.7719 21.4254 73.0303 21.4254 -15.8085 GPRESSAVG: 3408800 -16.4535 -35.1259 71.702 -35.763 33.9655 19.6872 73.1477 22.5536 -16.1578 TIMING: 3408800 CPU: 10148.2, 0.00293356/step Wall: 10148.2, 0.00293356/step, 1.29663 hours remaining, 209.632812 MB of memory in use. ENERGY: 3408800 783.3147 2103.3520 1939.2522 114.6143 -206541.0127 17978.0847 0.0000 0.0000 34310.8830 -149311.5119 299.6455 -183622.3948 -149211.1195 299.7261 -1.5066 28.6762 557804.8580 0.4162 0.4514 PRESSURE: 3409000 -221.799 61.0979 -56.9356 61.0981 -155.497 206.433 -56.9361 206.433 -202.88 GPRESSURE: 3409000 -142.526 9.00487 -52.9184 97.8409 -151.891 239.562 -31.2128 151.873 -181.593 PRESSAVG: 3409000 -35.2431 -19.2434 -21.1039 -19.2434 -18.4107 10.6513 -21.1038 10.6513 104.053 GPRESSAVG: 3409000 -35.3383 -19.8285 -18.6489 -20.0277 -17.945 10.84 -21.5248 10.9308 103.638 TIMING: 3409000 CPU: 10148.8, 0.0029262/step Wall: 10148.8, 0.0029262/step, 1.29322 hours remaining, 209.632812 MB of memory in use. ENERGY: 3409000 731.9264 2095.9126 1936.2385 98.7641 -206383.1500 17718.4954 0.0000 0.0000 34437.7985 -149364.0144 300.7539 -183801.8130 -149262.4246 299.2476 -193.3921 -158.6700 557409.8355 16.7997 16.7849 PRESSURE: 3409200 4.66633 29.0696 154.586 29.0689 127.29 112.482 154.587 112.479 265.144 GPRESSURE: 3409200 24.6328 77.8334 154.674 2.8755 230.664 119.317 90.7496 38.5055 231.637 PRESSAVG: 3409200 -56.1988 -67.7735 -4.11643 -67.7734 24.4688 19.6846 -4.1164 19.6846 40.5955 GPRESSAVG: 3409200 -56.0988 -69.3094 -5.84726 -66.4879 24.2287 20.6596 -5.67176 20.4096 41.2753 TIMING: 3409200 CPU: 10149.4, 0.00294432/step Wall: 10149.4, 0.00294432/step, 1.30106 hours remaining, 209.632812 MB of memory in use. ENERGY: 3409200 713.3979 2124.0376 1927.7996 106.6863 -206333.2890 17935.0012 0.0000 0.0000 34058.8093 -149467.5571 297.4441 -183526.3664 -149378.4213 298.3375 132.3667 162.3114 555922.6990 2.9552 3.1351 PRESSURE: 3409400 158.448 48.7754 -122.409 48.7747 -28.1929 65.5456 -122.41 65.5453 299.286 GPRESSURE: 3409400 236.342 119.785 -155.739 -76.9458 -36.8693 180.63 -51.3343 -26.2888 340.545 PRESSAVG: 3409400 -17.0735 -28.3229 35.726 -28.323 25.0467 21.6197 35.7261 21.6197 28.1381 GPRESSAVG: 3409400 -17.2641 -27.7806 35.8323 -29.6478 24.0565 20.5287 36.5355 19.0814 29.2272 TIMING: 3409400 CPU: 10150, 0.00293606/step Wall: 10150, 0.00293606/step, 1.29725 hours remaining, 209.632812 MB of memory in use. ENERGY: 3409400 747.2744 2101.0401 1938.7084 113.0756 -206675.4228 18097.6536 0.0000 0.0000 34274.7960 -149402.8746 299.3303 -183677.6706 -149305.4047 298.4483 143.1804 180.0058 556309.3163 12.0371 12.0065 PRESSURE: 3409600 26.6131 -105.702 -83.9753 -105.703 113.125 66.2213 -83.9751 66.2218 263.663 GPRESSURE: 3409600 52.6415 -35.5603 -103.504 -141.306 193.284 119.874 -40.0212 -1.5015 252.894 PRESSAVG: 3409600 -11.0547 -48.2901 19.6541 -48.2902 -45.0855 13.2259 19.6541 13.2259 70.3523 GPRESSAVG: 3409600 -9.98741 -46.6824 20.2824 -48.5421 -45.1452 13.7951 19.3003 13.215 69.1573 TIMING: 3409600 CPU: 10150.6, 0.00297282/step Wall: 10150.6, 0.00297282/step, 1.31332 hours remaining, 209.632812 MB of memory in use. ENERGY: 3409600 696.8736 2142.6976 1925.9643 102.8136 -206062.6035 17882.6333 0.0000 0.0000 33934.3127 -149377.3083 296.3568 -183311.6210 -149283.8286 298.5608 134.4672 166.2731 557178.2902 4.7373 4.6749 PRESSURE: 3409800 -62.3111 59.8211 48.7791 59.8208 90.1435 -118.197 48.7792 -118.197 217.351 GPRESSURE: 3409800 -21.576 99.2642 57.6515 -31.0247 108.689 -177.407 32.2657 23.6888 253.34 PRESSAVG: 3409800 -30.8755 -6.87614 0.0159986 -6.87613 -31.1025 -26.5442 0.0160011 -26.5444 41.7415 GPRESSAVG: 3409800 -31.9577 -8.8074 -1.39217 -7.81381 -30.5323 -27.0708 2.02298 -25.7981 42.0487 TIMING: 3409800 CPU: 10151.2, 0.00296216/step Wall: 10151.2, 0.00296216/step, 1.30845 hours remaining, 209.632812 MB of memory in use. ENERGY: 3409800 726.5762 2098.7226 1928.7856 108.5721 -206575.5094 18052.6111 0.0000 0.0000 34197.9543 -149462.2876 298.6592 -183660.2419 -149366.7662 297.8256 81.7278 113.4844 558199.0020 -6.7455 -6.8138 PRESSURE: 3410000 88.6363 170.493 -72.2557 170.492 47.5572 -73.5156 -72.2547 -73.516 111.099 GPRESSURE: 3410000 127.254 240.345 -61.2861 70.5405 28.9333 -139.066 -45.5018 -15.6207 176.175 PRESSAVG: 3410000 1.88192 53.196 -27.4416 53.196 53.353 -12.2053 -27.4415 -12.2053 -18.0928 GPRESSAVG: 3410000 2.75361 54.4832 -27.0592 53.5967 53.4366 -10.3015 -29.7291 -13.8184 -19.3594 TIMING: 3410000 CPU: 10151.8, 0.00297662/step Wall: 10151.8, 0.00297662/step, 1.31467 hours remaining, 209.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3410000 724.0725 2053.4464 1923.0975 116.2037 -206248.7523 17828.0803 0.0000 0.0000 34250.7938 -149353.0581 299.1207 -183603.8519 -149258.4507 298.4777 82.4307 110.7876 558008.2522 12.3807 12.2770 PRESSURE: 3410200 -8.93392 -27.7753 -118.903 -27.7759 111.472 -13.332 -118.902 -13.3312 2.29985 GPRESSURE: 3410200 66.7074 -95.2051 -88.3806 -23.3668 123.641 -8.39313 -68.1259 -49.1777 11.3385 PRESSAVG: 3410200 -8.76414 13.8541 7.68594 13.8541 -13.9231 -7.63136 7.68593 -7.63151 26.6345 GPRESSAVG: 3410200 -9.26269 14.3671 7.30337 15.2044 -13.5143 -8.88396 8.68912 -6.03503 27.3253 TIMING: 3410200 CPU: 10152.4, 0.002921/step Wall: 10152.4, 0.002921/step, 1.28995 hours remaining, 209.632812 MB of memory in use. ENERGY: 3410200 729.9435 2103.4723 1942.4369 113.5423 -206453.1542 17865.1703 0.0000 0.0000 34401.0622 -149297.5267 300.4330 -183698.5889 -149208.5434 298.9447 34.9461 67.2290 557659.8550 1.3157 1.5161 PRESSURE: 3410400 -48.9091 -275.441 -88.2043 -275.441 -195.483 58.2759 -88.2048 58.2743 -148.366 GPRESSURE: 3410400 -96.8404 -339.89 -32.8948 -192.717 -97.4912 48.948 -19.4555 43.9767 -109.502 PRESSAVG: 3410400 -22.6565 3.50806 31.223 3.50809 -48.5158 3.10576 31.2228 3.10568 51.9719 GPRESSAVG: 3410400 -22.1567 4.94897 32.1959 1.10609 -48.85 4.36399 31.3886 1.87606 52.2665 TIMING: 3410400 CPU: 10153, 0.00293656/step Wall: 10153, 0.00293656/step, 1.29666 hours remaining, 209.632812 MB of memory in use. ENERGY: 3410400 740.2819 2074.7975 1905.0336 115.6615 -206159.7928 17699.3282 0.0000 0.0000 34232.2581 -149392.4320 298.9588 -183624.6900 -149296.1284 298.5997 -130.9193 -101.2779 559070.8503 -6.4001 -6.2467 PRESSURE: 3410600 -170.182 -135.498 20.1318 -135.499 36.3309 -64.726 20.1307 -64.7278 72.5813 GPRESSURE: 3410600 -63.7835 -83.3372 132.886 -188.151 16.6574 -21.8131 -29.0187 -54.3423 74.2562 PRESSAVG: 3410600 8.10386 -46.561 13.1122 -46.561 -31.7681 21.3031 13.1122 21.3032 -30.2254 GPRESSAVG: 3410600 7.84402 -48.9432 13.4538 -45.1799 -31.4443 21.9446 12.3569 20.3902 -29.8858 TIMING: 3410600 CPU: 10153.5, 0.00295163/step Wall: 10153.5, 0.00295163/step, 1.30315 hours remaining, 209.632812 MB of memory in use. ENERGY: 3410600 735.9760 2106.4700 1945.6733 110.1321 -206800.5147 17993.5016 0.0000 0.0000 34332.5614 -149576.2003 299.8348 -183908.7617 -149482.5297 298.8430 -20.4233 9.0433 558149.1111 -17.9632 -17.8287 PRESSURE: 3410800 172.317 -8.2966 7.17801 -8.2961 18.3156 -10.9974 7.17695 -10.9985 89.0581 GPRESSURE: 3410800 239.217 7.21025 -13.08 -87.3248 19.0522 -36.3335 -68.4724 -9.39937 119.735 PRESSAVG: 3410800 5.25827 -22.9 67.7501 -22.8999 -1.4166 66.2799 67.7502 66.2799 -13.2309 GPRESSAVG: 3410800 4.41054 -22.4251 66.9018 -22.6521 -1.25925 62.2527 67.3779 70.0544 -12.9331 TIMING: 3410800 CPU: 10154.1, 0.00295884/step Wall: 10154.1, 0.00295884/step, 1.30616 hours remaining, 209.632812 MB of memory in use. ENERGY: 3410800 754.5473 2065.0863 1957.2802 113.0887 -206585.9722 18184.3890 0.0000 0.0000 33983.3168 -149528.2639 296.7848 -183511.5807 -149427.3401 298.2417 93.2303 126.0012 559355.4356 -3.1297 -3.2606 PRESSURE: 3411000 -125.291 -26.5758 -29.0662 -26.5756 -107.939 -0.0728658 -29.0668 -0.0729003 -341.663 GPRESSURE: 3411000 -112.389 -32.5922 -42.491 11.2308 -72.8556 -34.6017 -27.4684 -23.2349 -299.347 PRESSAVG: 3411000 4.00186 -34.0734 11.1437 -34.0734 7.98325 -1.74492 11.1437 -1.7449 -39.5217 GPRESSAVG: 3411000 6.17882 -34.7762 12.2908 -33.354 7.99342 -0.743013 11.6829 -3.81504 -41.2651 TIMING: 3411000 CPU: 10154.7, 0.00293895/step Wall: 10154.7, 0.00293895/step, 1.29722 hours remaining, 209.632812 MB of memory in use. ENERGY: 3411000 741.4090 2087.6266 1957.3743 106.8071 -205892.6775 17572.6592 0.0000 0.0000 33791.3363 -149635.4650 295.1081 -183426.8013 -149539.7083 297.8717 -191.6313 -161.5306 559190.2610 -9.1789 -9.0310 PRESSURE: 3411200 -24.7725 47.7387 178.144 47.7394 47.8802 -35.2653 178.145 -35.2648 -46.8058 GPRESSURE: 3411200 15.2982 -31.6273 150.965 10.7799 65.6074 -72.6811 192.609 -43.2564 -6.16438 PRESSAVG: 3411200 -37.6642 -27.2347 36.3571 -27.2347 12.3139 9.96349 36.3572 9.9635 -11.4629 GPRESSAVG: 3411200 -39.2713 -27.7566 34.6838 -28.8017 13.2071 8.67993 36.042 9.69436 -10.5831 TIMING: 3411200 CPU: 10155.3, 0.00295276/step Wall: 10155.3, 0.00295276/step, 1.30315 hours remaining, 209.632812 MB of memory in use. ENERGY: 3411200 717.2660 2057.4704 1926.0768 109.8644 -206457.6108 17870.2835 0.0000 0.0000 34236.8993 -149539.7506 298.9994 -183776.6498 -149446.6657 298.5012 -7.8994 24.9138 557450.5777 -12.2711 -12.2158 PRESSURE: 3411400 -241.292 -59.2492 -46.6677 -59.2492 -134.725 127.899 -46.6672 127.897 71.7555 GPRESSURE: 3411400 -189.37 -33.8046 8.00905 83.0076 -122.36 99.7568 -8.19453 160.256 106.903 PRESSAVG: 3411400 0.204872 1.16578 3.13253 1.16568 15.7142 24.4503 3.13252 24.4503 4.36731 GPRESSAVG: 3411400 0.547651 1.69994 2.00944 4.4609 15.0135 25.7735 6.08954 22.9622 5.0576 TIMING: 3411400 CPU: 10155.9, 0.00293828/step Wall: 10155.9, 0.00293828/step, 1.2966 hours remaining, 209.632812 MB of memory in use. ENERGY: 3411400 742.9116 2108.0786 1937.1349 99.3695 -206401.5675 17740.7268 0.0000 0.0000 34347.0531 -149426.2931 299.9614 -183773.3461 -149331.5035 297.9270 -101.4204 -68.2756 557084.8606 6.7621 6.8729 PRESSURE: 3411600 -113.05 140.921 81.128 140.921 59.4227 -62.3618 81.1285 -62.3617 -193.074 GPRESSURE: 3411600 -36.3963 191.766 124.573 99.1192 32.7744 -46.8494 39.8353 -57.791 -152 PRESSAVG: 3411600 -19.8622 -11.86 10.5957 -11.8599 19.8786 -12.1637 10.5957 -12.1637 14.2671 GPRESSAVG: 3411600 -20.2847 -12.3677 10.694 -14.7815 21.4274 -12.1974 9.94056 -9.70228 13.4501 TIMING: 3411600 CPU: 10156.5, 0.00293784/step Wall: 10156.5, 0.00293784/step, 1.29624 hours remaining, 209.632812 MB of memory in use. ENERGY: 3411600 751.1026 2108.5350 1925.9476 116.8493 -206174.7660 17674.6282 0.0000 0.0000 34187.8465 -149409.8569 298.5710 -183597.7034 -149314.8955 298.8152 -82.2336 -51.8740 556831.1763 4.7612 4.8643 PRESSURE: 3411800 -52.7251 -63.0397 30.7182 -63.04 -108.172 80.408 30.7175 80.4067 -2.1911 GPRESSURE: 3411800 7.29913 -51.5413 -0.183104 -32.3305 -45.3921 58.0701 -29.3434 39.2263 -26.9571 PRESSAVG: 3411800 55.9745 -47.0614 23.8859 -47.0614 8.41085 15.8421 23.8859 15.842 -47.8756 GPRESSAVG: 3411800 57.4699 -47.1993 24.7818 -45.4815 6.96616 17.0996 20.2852 15.0651 -47.6168 TIMING: 3411800 CPU: 10157.1, 0.00293408/step Wall: 10157.1, 0.00293408/step, 1.29442 hours remaining, 209.632812 MB of memory in use. ENERGY: 3411800 748.9579 2152.8024 1912.8843 100.4489 -206156.5273 17637.6349 0.0000 0.0000 34160.5481 -149443.2509 298.3326 -183603.7989 -149350.3428 298.5631 -54.3627 -21.6834 555547.7182 5.5032 5.6064 PRESSURE: 3412000 -126.291 12.9514 -37.9691 12.9515 71.7409 30.5248 -37.9693 30.5231 67.7731 GPRESSURE: 3412000 -88.6957 74.5334 -88.2862 -39.5625 94.9782 46.9597 -33.2756 17.1647 101.87 PRESSAVG: 3412000 44.1787 -25.2609 -13.0657 -25.261 -118.337 -8.4008 -13.0657 -8.40082 24.5262 GPRESSAVG: 3412000 43.0882 -23.5845 -14.6497 -24.8945 -116.641 -11.0986 -9.23861 -6.05903 23.8499 TIMING: 3412000 CPU: 10157.7, 0.00293246/step Wall: 10157.7, 0.00293246/step, 1.29354 hours remaining, 209.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3412000 736.8416 2057.4874 1930.4415 127.6078 -206308.5786 17734.3161 0.0000 0.0000 34303.7232 -149418.1610 299.5829 -183721.8842 -149318.5964 298.6027 4.4076 36.0508 556280.5335 -16.5440 -16.5676 PRESSURE: 3412200 21.4678 -114.736 77.788 -114.737 -190.397 54.3519 77.7893 54.351 -86.5062 GPRESSURE: 3412200 80.4384 8.07523 134.399 -159.702 -136.383 80.9898 111.261 -6.86661 -94.7991 PRESSAVG: 3412200 -7.92287 13.7354 42.1825 13.7353 -25.5126 26.3567 42.1824 26.3568 51.4644 GPRESSAVG: 3412200 -7.53478 16.1338 44.8828 10.1585 -26.4553 28.242 37.2359 25.3973 51.6958 TIMING: 3412200 CPU: 10158.2, 0.00292788/step Wall: 10158.2, 0.00292788/step, 1.29136 hours remaining, 209.632812 MB of memory in use. ENERGY: 3412200 750.2392 2091.2111 1909.4526 110.5702 -206184.5744 17675.5149 0.0000 0.0000 34212.4982 -149435.0883 298.7863 -183647.5864 -149342.3134 298.9819 -85.1453 -50.2480 557129.6239 6.0096 5.9019 LDB: ============= START OF LOAD BALANCING ============== 10161.8 LDB: ============== END OF LOAD BALANCING =============== 10161.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10161.8 LDB: ============= START OF LOAD BALANCING ============== 10162.1 LDB: Largest compute 4772 load 0.025603 is 21.7% of average load 0.118243 LDB: Average compute 0.001719 is 1.5% of average load 0.118243 LDB: TIME 10162.1 LOAD: AVG 0.118243 MAX 0.195182 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.402 MB LDB: TIME 10162.1 LOAD: AVG 0.118243 MAX 0.195182 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.402 MB LDB: TIME 10162.1 LOAD: AVG 0.118243 MAX 0.195182 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.402 MB LDB: ============== END OF LOAD BALANCING =============== 10162.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10162.1 PRESSURE: 3412400 -37.7077 26.9365 231.876 26.9374 -198.209 6.96814 231.876 6.97034 23.8672 GPRESSURE: 3412400 -56.5063 5.46013 196.874 -6.20531 -186.922 -29.1164 248.805 -8.03217 119.482 PRESSAVG: 3412400 11.7531 -23.4181 -14.5554 -23.4181 24.9295 8.11416 -14.5554 8.11422 -21.104 GPRESSAVG: 3412400 10.5816 -24.6224 -17.2566 -21.7734 25.4045 7.93335 -11.9178 8.89293 -20.1091 TIMING: 3412400 CPU: 10158.8, 0.00298076/step Wall: 10158.8, 0.00298076/step, 1.31451 hours remaining, 207.242188 MB of memory in use. ENERGY: 3412400 742.3448 2130.7165 1916.7112 123.3763 -206323.2742 17792.4494 0.0000 0.0000 34089.9487 -149527.7274 297.7160 -183617.6761 -149431.1954 298.8573 -70.6833 -41.3155 556318.7661 5.1928 5.2923 PRESSURE: 3412600 -50.5278 19.6324 72.461 19.6315 136.257 -13.5 72.4612 -13.5018 98.0296 GPRESSURE: 3412600 -11.9893 61.4627 136.468 -18.1096 185.276 -83.1348 31.9199 67.0601 110.138 PRESSAVG: 3412600 27.5966 -13.9363 -4.95548 -13.9365 -4.91199 4.24042 -4.95553 4.24035 -12.396 GPRESSAVG: 3412600 29.8864 -15.3605 -3.75327 -12.914 -6.56961 3.41588 -7.50274 4.12848 -12.6893 TIMING: 3412600 CPU: 10159.4, 0.00291888/step Wall: 10159.4, 0.00291888/step, 1.28706 hours remaining, 207.433594 MB of memory in use. ENERGY: 3412600 749.3607 2102.5205 1951.6547 116.0177 -206383.7242 17917.3619 0.0000 0.0000 34142.8270 -149403.9816 298.1778 -183546.8086 -149312.8784 298.4685 61.2529 94.4746 556909.0395 3.4295 3.5425 PRESSURE: 3412800 -94.763 100.347 138.591 100.348 14.374 -27.5986 138.591 -27.5986 -50.8454 GPRESSURE: 3412800 -64.3356 40.1083 249.314 120.391 15.0946 -32.4348 128.76 -16.7126 20.2735 PRESSAVG: 3412800 -0.236694 42.0583 11.2666 42.0582 -5.45218 19.8831 11.2665 19.8833 5.20886 GPRESSAVG: 3412800 -2.63715 42.7732 11.8909 40.6553 -3.46014 19.0867 13.4837 19.9546 5.4396 TIMING: 3412800 CPU: 10160, 0.00292341/step Wall: 10160, 0.00292341/step, 1.2889 hours remaining, 207.433594 MB of memory in use. ENERGY: 3412800 747.2093 2072.9324 1951.3571 120.9538 -206407.9693 17819.1689 0.0000 0.0000 34178.0887 -149518.2591 298.4857 -183696.3478 -149421.7482 298.3252 -43.7448 -9.6559 557335.8414 -0.1600 -0.2192 PRESSURE: 3413000 -70.8646 -203.671 39.3729 -203.67 -182.587 -43.5951 39.3727 -43.5959 -61.5322 GPRESSURE: 3413000 -109.762 -248.935 -6.4141 -151.358 -69.041 -10.7308 91.9242 2.06203 -33.6795 PRESSAVG: 3413000 14.4286 -45.573 -42.8712 -45.5729 44.4087 40.8758 -42.8712 40.8757 -79.5616 GPRESSAVG: 3413000 15.0212 -46.5257 -41.9787 -42.3258 43.2867 42.9246 -41.6904 39.0131 -78.9739 TIMING: 3413000 CPU: 10160.6, 0.00295964/step Wall: 10160.6, 0.00295964/step, 1.30471 hours remaining, 207.433594 MB of memory in use. ENERGY: 3413000 733.7959 2047.1278 1929.1056 108.0725 -206296.4843 17806.4713 0.0000 0.0000 34308.7073 -149363.2039 299.6265 -183671.9112 -149262.1656 298.9377 -104.9947 -70.8275 558500.9584 -6.9081 -6.8887 PRESSURE: 3413200 -95.1313 274.157 111.796 274.156 -21.3581 -164.587 111.795 -164.587 -8.49303 GPRESSURE: 3413200 -5.99483 291.178 54.2006 184.145 -11.0338 -142.421 84.4015 -59.5887 -21.4508 PRESSAVG: 3413200 -25.2119 -19.4504 48.5985 -19.4504 1.71981 20.8907 48.5984 20.8907 47.2385 GPRESSAVG: 3413200 -24.6817 -18.8807 47.061 -22.6887 2.46168 18.7988 47.3813 22.9344 45.9567 TIMING: 3413200 CPU: 10161.2, 0.00291728/step Wall: 10161.2, 0.00291728/step, 1.28587 hours remaining, 207.433594 MB of memory in use. ENERGY: 3413200 792.5748 2067.7991 1961.1532 121.1173 -206259.1522 17886.9840 0.0000 0.0000 34177.8965 -149251.6273 298.4841 -183429.5238 -149153.4227 299.3965 -41.6608 -12.8265 558317.6647 7.9155 7.9122 PRESSURE: 3413400 -117.423 93.9127 0.762719 93.9135 190.572 -140.342 0.761194 -140.343 -133.774 GPRESSURE: 3413400 -99.2176 36.8027 5.58981 7.58928 232.301 -118.853 14.1889 -112.226 -96.3896 PRESSAVG: 3413400 59.3206 1.938 -55.092 1.93803 -9.89933 41.781 -55.092 41.781 -29.4606 GPRESSAVG: 3413400 58.4366 0.609365 -54.3477 3.07526 -10.4689 43.6555 -55.1138 40.3601 -27.6966 TIMING: 3413400 CPU: 10161.8, 0.00293293/step Wall: 10161.8, 0.00293293/step, 1.29261 hours remaining, 207.433594 MB of memory in use. ENERGY: 3413400 735.6035 2067.1338 1928.9373 114.3050 -206090.8326 17767.6239 0.0000 0.0000 34332.8402 -149144.3888 299.8372 -183477.2290 -149047.8129 299.6007 -20.2082 12.2312 557645.7701 6.6536 6.7570 PRESSURE: 3413600 117.187 -137.904 102.607 -137.905 28.2593 66.8359 102.608 66.8366 -216.842 GPRESSURE: 3413600 210.693 -179.255 168.82 -117.526 -13.6576 36.3078 44.8103 80.4462 -165.952 PRESSAVG: 3413600 16.4773 -0.394748 -15.3405 -0.394642 44.106 58.6681 -15.3405 58.668 -36.4878 GPRESSAVG: 3413600 16.1333 -0.699659 -17.0628 -1.31951 44.341 58.9922 -14.8712 56.4272 -36.8362 TIMING: 3413600 CPU: 10162.4, 0.00291002/step Wall: 10162.4, 0.00291002/step, 1.28235 hours remaining, 207.433594 MB of memory in use. ENERGY: 3413600 767.2475 2020.1403 1964.3060 116.2982 -206214.6868 17933.6596 0.0000 0.0000 34496.3605 -148916.6747 301.2653 -183413.0352 -148826.6107 299.9784 -23.7987 10.3612 558791.5282 8.0318 7.8794 PRESSURE: 3413800 34.5229 -83.6615 -59.0622 -83.6605 -37.6956 79.4132 -59.0625 79.4142 212.552 GPRESSURE: 3413800 46.7224 -41.5522 -2.94772 -84.2863 36.9999 15.591 -106.495 120.67 228.109 PRESSAVG: 3413800 41.2629 -5.01593 -38.7897 -5.01595 8.63289 18.4548 -38.7897 18.4548 -36.6096 GPRESSAVG: 3413800 42.3941 -2.87444 -36.3413 -6.57419 8.94927 17.5309 -40.8407 20.6412 -37.5093 TIMING: 3413800 CPU: 10162.9, 0.00291023/step Wall: 10162.9, 0.00291023/step, 1.28228 hours remaining, 207.433594 MB of memory in use. ENERGY: 3413800 702.2821 2086.7741 1902.5772 113.5530 -205777.2924 17817.4998 0.0000 0.0000 34298.2530 -148856.3533 299.5352 -183154.6063 -148761.3662 301.0876 69.7929 103.9438 559205.0452 4.4287 4.6114 PRESSURE: 3414000 -89.8663 -96.5368 73.5467 -96.5368 274.647 -35.299 73.5464 -35.2982 -197.325 GPRESSURE: 3414000 -106.645 -34.7567 115.052 -87.2827 283.088 -106.013 51.4152 30.4467 -90.749 PRESSAVG: 3414000 -50.4953 -51.399 46.7357 -51.3989 33.2976 27.599 46.7356 27.5989 7.73081 GPRESSAVG: 3414000 -50.781 -51.7955 46.7558 -50.2666 33.3863 28.3749 47.1913 28.1293 7.61242 TIMING: 3414000 CPU: 10163.5, 0.00293203/step Wall: 10163.5, 0.00293203/step, 1.29172 hours remaining, 207.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3414000 756.9939 2083.1803 1929.1987 109.9348 -206257.1469 17934.8709 0.0000 0.0000 34323.2524 -149119.7158 299.7535 -183442.9682 -149023.1279 299.7453 -4.1816 28.5649 558292.8711 -3.1556 -3.2608 PRESSURE: 3414200 56.3946 -71.4152 30.8487 -71.4149 60.7945 -111.327 30.8486 -111.328 -92.7291 GPRESSURE: 3414200 103.987 43.1787 166.823 -88.6473 87.1404 -44.0334 -26.6406 -61.5848 -60.7666 PRESSAVG: 3414200 -20.543 -19.2409 78.2488 -19.2408 77.3635 33.3727 78.2488 33.3727 -40.2303 GPRESSAVG: 3414200 -21.0016 -19.7063 78.2288 -17.7151 77.102 34.218 78.9253 31.5532 -38.9534 TIMING: 3414200 CPU: 10164.1, 0.00291377/step Wall: 10164.1, 0.00291377/step, 1.28351 hours remaining, 207.433594 MB of memory in use. ENERGY: 3414200 703.4905 2046.9629 1950.3672 110.9408 -206192.5456 17855.0779 0.0000 0.0000 34348.9493 -149176.7570 299.9779 -183525.7063 -149085.6770 299.3289 8.1533 43.4536 557542.8405 5.5301 5.7157 PRESSURE: 3414400 97.6439 -31.1372 -16.1662 -31.1376 49.5243 142.153 -16.1658 142.152 -103.293 GPRESSURE: 3414400 132.403 37.2106 -11.3092 -36.6121 23.8742 92.8742 -23.9902 127.317 -20.8592 PRESSAVG: 3414400 13.8334 -7.90166 27.2486 -7.90163 -1.64232 22.9333 27.2485 22.9333 -23.0233 GPRESSAVG: 3414400 13.6735 -8.27156 26.1449 -6.8159 -1.58252 20.4802 28.0391 25.4253 -23.3452 TIMING: 3414400 CPU: 10164.7, 0.00292582/step Wall: 10164.7, 0.00292582/step, 1.28866 hours remaining, 207.433594 MB of memory in use. ENERGY: 3414400 745.5924 2090.9375 1942.1889 106.1065 -206624.6688 18042.1748 0.0000 0.0000 34364.3973 -149333.2715 300.1128 -183697.6688 -149237.7457 299.0484 14.6250 45.1395 557801.8975 -3.6107 -3.7514 PRESSURE: 3414600 -10.0359 81.9793 152.565 81.9796 -128.509 -75.1495 152.563 -75.1513 -112.775 GPRESSURE: 3414600 -13.2863 32.4454 158.601 30.5486 -86.1161 -63.9799 110.212 -80.0549 -47.8368 PRESSAVG: 3414600 -34.9092 13.3597 22.8572 13.3596 34.064 16.774 22.8571 16.7741 22.7028 GPRESSAVG: 3414600 -34.7012 12.4087 23.289 11.1291 34.0475 18.7753 22.9481 15.4658 22.584 TIMING: 3414600 CPU: 10165.3, 0.00293208/step Wall: 10165.3, 0.00293208/step, 1.29126 hours remaining, 207.433594 MB of memory in use. ENERGY: 3414600 758.4985 2066.0274 1917.0225 93.8702 -206167.6258 17847.5229 0.0000 0.0000 34135.1507 -149349.5337 298.1108 -183484.6844 -149257.8098 298.9350 -83.7734 -49.0797 559417.4123 7.2859 7.3101 PRESSURE: 3414800 -505.392 39.4148 -66.1501 39.4158 -154.376 -16.0705 -66.15 -16.0697 -402.723 GPRESSURE: 3414800 -488.938 -6.87186 -15.2151 120.98 -115.071 15.8922 -103.111 -20.2238 -362.03 PRESSAVG: 3414800 1.0512 46.367 65.9706 46.3671 -13.6138 3.78321 65.9706 3.78318 -10.7425 GPRESSAVG: 3414800 0.856321 49.4189 64.3566 45.596 -12.8401 2.52791 67.1042 4.21579 -11.4403 TIMING: 3414800 CPU: 10165.9, 0.00293826/step Wall: 10165.9, 0.00293826/step, 1.29382 hours remaining, 207.433594 MB of memory in use. ENERGY: 3414800 741.4198 2128.6811 1955.5715 131.3441 -205485.5630 17194.5038 0.0000 0.0000 34114.3985 -149219.6441 297.9295 -183334.0427 -149118.7719 299.1741 -354.1638 -322.0131 558843.4655 -7.7684 -7.8080 PRESSURE: 3415000 321.107 69.6309 -126.155 69.6316 14.0095 110.948 -126.154 110.948 251.719 GPRESSURE: 3415000 315.777 18.7082 -245.352 87.2453 86.5219 75.8309 -76.1285 149.711 285.762 PRESSAVG: 3415000 -40.6689 0.100802 35.7562 0.100811 16.6049 10.752 35.7562 10.7519 -6.41516 GPRESSAVG: 3415000 -40.5961 -4.3265 36.2561 4.10527 15.1539 10.4468 34.809 12.5276 -4.7336 TIMING: 3415000 CPU: 10166.5, 0.00292783/step Wall: 10166.5, 0.00292783/step, 1.28906 hours remaining, 207.433594 MB of memory in use. ENERGY: 3415000 761.3437 2059.2443 1940.5916 121.8277 -206709.1868 18225.6546 0.0000 0.0000 34415.4336 -149185.0914 300.5585 -183600.5250 -149092.1723 299.0987 195.6121 229.3534 557073.0687 -10.1597 -10.0586 PRESSURE: 3415200 -228.36 236.246 8.61595 236.245 -18.8563 -77.0399 8.61587 -77.0391 -201.9 GPRESSURE: 3415200 -230.274 241.774 66.3843 222.519 41.3191 -26.2195 6.82457 -45.8974 -158.393 PRESSAVG: 3415200 -29.3274 20.1763 31.6111 20.1764 0.0445978 -12.5263 31.6111 -12.5263 -23.5626 GPRESSAVG: 3415200 -30.0872 23.7554 34.1573 16.2866 0.487722 -10.8062 29.0219 -13.4958 -23.6547 TIMING: 3415200 CPU: 10167, 0.00292226/step Wall: 10167, 0.00292226/step, 1.28644 hours remaining, 207.433594 MB of memory in use. ENERGY: 3415200 754.0587 2107.4312 1910.2307 114.9736 -206182.8855 17616.6730 0.0000 0.0000 34385.1250 -149294.3933 300.2938 -183679.5183 -149204.7922 299.7397 -149.7056 -115.7825 557295.9863 -17.6151 -17.7514 PRESSURE: 3415400 86.2038 -37.0884 -7.19333 -37.0887 228.306 -109.25 -7.19289 -109.249 -14.214 GPRESSURE: 3415400 94.3413 34.4239 -11.5476 -58.8982 248.016 -68.6147 -70.1757 -123.493 51.1103 PRESSAVG: 3415400 -91.3968 0.629829 -39.5129 0.629879 13.6467 4.19217 -39.5129 4.19223 54.1129 GPRESSAVG: 3415400 -90.1904 1.45144 -42.0778 0.882853 13.4451 4.90553 -36.4876 4.03824 52.7973 TIMING: 3415400 CPU: 10167.6, 0.00294135/step Wall: 10167.6, 0.00294135/step, 1.29468 hours remaining, 207.433594 MB of memory in use. ENERGY: 3415400 713.3795 2083.5654 1921.0799 116.7426 -206192.7880 17806.1375 0.0000 0.0000 34063.7656 -149488.1173 297.4873 -183551.8830 -149387.4650 298.8578 100.0985 131.1559 557801.5818 -7.8791 -7.9826 PRESSURE: 3415600 -54.0193 -129.152 14.1378 -129.15 -381.555 -152.46 14.1371 -152.461 91.4466 GPRESSURE: 3415600 -4.24421 -167.942 24.2917 -68.9419 -353.281 -230.011 68.0892 -67.6246 111.655 PRESSAVG: 3415600 0.866585 5.03553 -42.1526 5.03547 -23.704 -37.3436 -42.1527 -37.3437 24.2434 GPRESSAVG: 3415600 -0.195952 2.73895 -39.6284 7.42755 -22.8603 -39.9548 -45.0025 -35.3277 24.8292 TIMING: 3415600 CPU: 10168.2, 0.00297342/step Wall: 10168.2, 0.00297342/step, 1.30864 hours remaining, 207.433594 MB of memory in use. ENERGY: 3415600 739.7263 2072.2752 1935.9141 103.2163 -206440.9774 17734.0142 0.0000 0.0000 34318.7308 -149537.1005 299.7140 -183855.8313 -149449.2321 298.6438 -114.7091 -81.9567 556841.6987 0.4687 0.5910 PRESSURE: 3415800 -56.6049 55.3721 63.8862 55.3727 70.3029 68.5015 63.8865 68.5028 -116.565 GPRESSURE: 3415800 -23.5361 72.4162 -2.06701 17.597 131.426 67.8818 57.8691 -20.0994 -113.144 PRESSAVG: 3415800 -15.5414 52.8298 -17.5044 52.8297 21.2783 16.5656 -17.5043 16.5656 19.3585 GPRESSAVG: 3415800 -15.4823 53.9449 -19.4258 50.6785 21.4511 18.8455 -16.0453 14.0296 18.7053 TIMING: 3415800 CPU: 10168.8, 0.00295769/step Wall: 10168.8, 0.00295769/step, 1.30155 hours remaining, 207.433594 MB of memory in use. ENERGY: 3415800 737.1989 2124.5890 1946.3019 110.0387 -206212.8381 17691.0255 0.0000 0.0000 34086.1122 -149517.5719 297.6825 -183603.6840 -149423.0813 298.8705 -34.2890 -1.7513 556428.0641 8.3652 8.2247 PRESSURE: 3416000 -91.1014 32.6086 46.3406 32.6092 93.7883 195.745 46.3411 195.745 -101.127 GPRESSURE: 3416000 -89.8163 59.4705 37.3783 16.0356 148.856 196.313 -48.0786 118.664 -67.1912 PRESSAVG: 3416000 -10.4439 62.7285 -22.7199 62.7285 24.3783 40.83 -22.7198 40.8301 -31.6459 GPRESSAVG: 3416000 -11.1121 63.3817 -22.0937 63.0988 25.0657 41.3591 -23.6254 41.31 -31.6031 TIMING: 3416000 CPU: 10169.4, 0.00296131/step Wall: 10169.4, 0.00296131/step, 1.30298 hours remaining, 207.433594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3416000 733.5072 2080.2807 1925.4431 103.7176 -206072.8502 17700.6835 0.0000 0.0000 34031.7189 -149497.4993 297.2075 -183529.2182 -149397.6295 298.4197 -32.8133 -2.7171 555990.9867 -5.9038 -5.8832 PRESSURE: 3416200 -194.993 -39.2353 71.5159 -39.2346 -141.044 -62.7712 71.5155 -62.7714 55.1868 GPRESSURE: 3416200 -150.579 37.9301 70.0884 -11.2869 -100.692 -80.4661 5.92186 -62.8425 67.2828 PRESSAVG: 3416200 -55.7831 -1.49192 -22.2348 -1.49192 14.8252 8.14308 -22.2348 8.14311 57.736 GPRESSAVG: 3416200 -55.198 -1.8925 -20.5394 0.166768 14.6215 6.18446 -21.8002 8.79759 57.5229 TIMING: 3416200 CPU: 10170, 0.00296445/step Wall: 10170, 0.00296445/step, 1.30419 hours remaining, 207.433594 MB of memory in use. ENERGY: 3416200 741.1495 2122.0200 1932.8692 112.2072 -206217.4699 17581.3034 0.0000 0.0000 34207.3770 -149520.5435 298.7415 -183727.9205 -149424.7045 299.1292 -93.6168 -61.3295 556538.3636 5.5927 5.6488 LDB: ============= START OF LOAD BALANCING ============== 10173.5 LDB: ============== END OF LOAD BALANCING =============== 10173.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10173.5 LDB: ============= START OF LOAD BALANCING ============== 10173.8 LDB: Largest compute 4772 load 0.023771 is 20.1% of average load 0.118299 LDB: Average compute 0.001719 is 1.5% of average load 0.118299 LDB: TIME 10173.8 LOAD: AVG 0.118299 MAX 0.197544 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.566 MB LDB: TIME 10173.8 LOAD: AVG 0.118299 MAX 0.197544 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.637 MB LDB: TIME 10173.8 LOAD: AVG 0.118299 MAX 0.197544 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10173.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10173.8 PRESSURE: 3416400 -133.265 241.955 -109.771 241.955 -114.085 -170.024 -109.771 -170.024 -378.945 GPRESSURE: 3416400 -162.095 252.816 -113.457 260.011 -50.4722 -138.51 -96.4199 -111.883 -314.127 PRESSAVG: 3416400 -27.2569 12.1733 -51.8962 12.1733 -23.576 -40.9001 -51.8962 -40.9 51.8224 GPRESSAVG: 3416400 -26.4574 12.4998 -53.8371 11.0331 -23.1667 -41.899 -50.48 -39.842 50.6685 TIMING: 3416400 CPU: 10170.6, 0.00299841/step Wall: 10170.6, 0.00299841/step, 1.31897 hours remaining, 206.597656 MB of memory in use. ENERGY: 3416400 743.3184 2006.4532 1946.5674 105.0244 -205677.2999 17377.5041 0.0000 0.0000 34056.3316 -149442.1008 297.4224 -183498.4324 -149340.3690 298.7233 -208.7651 -175.5645 556227.8945 0.3298 0.3481 PRESSURE: 3416600 -120.515 49.458 54.8047 49.4585 -171.039 86.4772 54.804 86.4786 69.8103 GPRESSURE: 3416600 -62.2784 12.5149 124.515 148.686 -125.576 90.2799 25.0128 99.3954 64.8175 PRESSAVG: 3416600 -50.7124 85.3752 29.1945 85.3752 23.9225 10.6718 29.1945 10.6718 -3.76062 GPRESSAVG: 3416600 -50.6663 86.3864 29.97 86.1126 23.2604 12.6678 28.4388 8.93466 -3.2521 TIMING: 3416600 CPU: 10171.2, 0.00297087/step Wall: 10171.2, 0.00297087/step, 1.30669 hours remaining, 206.597656 MB of memory in use. ENERGY: 3416600 714.7686 2105.9742 1929.5876 124.4620 -206122.8124 17632.0544 0.0000 0.0000 34147.4808 -149468.4849 298.2184 -183615.9656 -149370.3183 298.7582 -73.9146 -41.0122 556799.4223 -10.1835 -10.2193 PRESSURE: 3416800 -81.3273 83.9374 72.3977 83.9376 -32.7533 89.4129 72.3965 89.413 -120.46 GPRESSURE: 3416800 -103.662 102.241 62.7159 139.844 4.18503 16.0273 92.3582 216.5 -43.3294 PRESSAVG: 3416800 -65.0561 54.3662 -23.016 54.3662 61.2856 6.31419 -23.016 6.31422 5.7113 GPRESSAVG: 3416800 -66.2445 53.819 -23.6151 54.6361 61.8212 6.0082 -22.1627 6.85966 6.25853 TIMING: 3416800 CPU: 10171.8, 0.00295297/step Wall: 10171.8, 0.00295297/step, 1.29865 hours remaining, 206.597656 MB of memory in use. ENERGY: 3416800 745.3031 2066.7254 1959.7861 102.2033 -206078.2989 17705.1155 0.0000 0.0000 34204.0319 -149295.1337 298.7123 -183499.1656 -149207.1989 299.1615 -78.1802 -47.6020 557515.8924 0.6469 0.6117 PRESSURE: 3417000 -85.5021 95.8857 -0.159225 95.8846 166.052 5.69598 -0.159624 5.69845 115.869 GPRESSURE: 3417000 -40.7541 118.531 -36.3404 85.606 162.955 123.549 61.8411 -33.8387 163.882 PRESSAVG: 3417000 -13.3935 14.6142 -30.6771 14.6143 21.6679 5.216 -30.6771 5.21596 -7.64477 GPRESSAVG: 3417000 -13.2537 14.589 -31.7192 14.0227 21.2481 6.57061 -31.3679 3.77672 -7.19871 TIMING: 3417000 CPU: 10172.4, 0.00293264/step Wall: 10172.4, 0.00293264/step, 1.28955 hours remaining, 206.597656 MB of memory in use. ENERGY: 3417000 716.1589 2057.9294 1930.3085 112.4135 -206448.5001 18023.9057 0.0000 0.0000 34369.9068 -149237.8772 300.1609 -183607.7841 -149142.2700 298.8299 65.4728 95.3609 556969.8813 0.2099 0.2652 PRESSURE: 3417200 350.241 -229.863 -23.1707 -229.862 123.132 -58.5127 -23.1712 -58.5105 13.3041 GPRESSURE: 3417200 388.008 -293.901 -9.42626 -248.992 144.228 -34.1717 -82.0812 -80.8513 56.7432 PRESSAVG: 3417200 -70.9563 -18.0629 25.1847 -18.0628 23.8368 -22.3037 25.1847 -22.3036 40.1349 GPRESSAVG: 3417200 -70.7203 -18.1959 24.553 -18.8129 23.5404 -25.0583 25.4466 -20.4978 40.7357 TIMING: 3417200 CPU: 10173, 0.00293786/step Wall: 10173, 0.00293786/step, 1.29168 hours remaining, 206.597656 MB of memory in use. ENERGY: 3417200 754.4668 2063.4174 1917.6094 117.5901 -206561.3856 18086.6515 0.0000 0.0000 34447.5004 -149174.1499 300.8386 -183621.6503 -149078.4339 299.4552 162.2255 196.3264 557418.0679 -2.3282 -2.1481 PRESSURE: 3417400 122.016 8.5079 -118.703 8.50785 -292.633 -60.904 -118.703 -60.9051 -126.018 GPRESSURE: 3417400 75.7942 -69.8178 -109.583 23.0988 -167.906 -4.91614 -31.2319 -58.2785 -113.098 PRESSAVG: 3417400 -65.3008 -12.6654 -9.99474 -12.6655 42.6881 -13.9508 -9.99478 -13.9508 36.0343 GPRESSAVG: 3417400 -65.9451 -12.8034 -9.88086 -11.7684 43.8788 -11.5309 -8.11796 -14.3493 35.7033 TIMING: 3417400 CPU: 10173.5, 0.00291686/step Wall: 10173.5, 0.00291686/step, 1.28229 hours remaining, 206.597656 MB of memory in use. ENERGY: 3417400 781.7916 2084.9031 1937.3295 105.0407 -205986.3489 17708.6111 0.0000 0.0000 34253.5332 -149115.1399 299.1446 -183368.6731 -149015.9577 299.7845 -98.8786 -68.4031 558230.2460 4.4739 4.5457 PRESSURE: 3417600 -65.2541 -68.7899 -87.5658 -68.7908 62.7374 -21.215 -87.5647 -21.2153 50.1216 GPRESSURE: 3417600 13.2685 -55.1119 -131.46 -63.666 102.512 -107.172 -90.0007 -37.6181 23.7196 PRESSAVG: 3417600 -40.6838 -10.3643 -8.62668 -10.3643 35.0026 11.6659 -8.62662 11.666 -9.59485 GPRESSAVG: 3417600 -39.5163 -10.2 -6.82693 -9.33653 34.1079 10.2268 -12.5636 12.6912 -9.81803 TIMING: 3417600 CPU: 10174.1, 0.00292274/step Wall: 10174.1, 0.00292274/step, 1.28471 hours remaining, 206.597656 MB of memory in use. ENERGY: 3417600 795.5991 2037.1881 1976.2167 120.8708 -206283.1067 18026.4276 0.0000 0.0000 34230.4633 -149096.3411 298.9432 -183326.8044 -149006.5408 299.5106 15.8683 46.5000 557358.1996 -5.0920 -5.0755 PRESSURE: 3417800 -74.2954 179.828 -120.519 179.828 -88.7019 10.019 -120.52 10.0207 264.953 GPRESSURE: 3417800 -43.815 138.798 -63.3441 277.043 -79.5847 -25.1661 -65.0403 34.9622 322.31 PRESSAVG: 3417800 -77.0245 7.07958 -41.8137 7.07956 53.7697 -5.48432 -41.8137 -5.4843 39.4646 GPRESSAVG: 3417800 -76.6854 6.95022 -41.4041 5.10324 52.74 -7.47346 -41.4425 -5.03556 40.1403 TIMING: 3417800 CPU: 10174.7, 0.00292375/step Wall: 10174.7, 0.00292375/step, 1.28499 hours remaining, 206.597656 MB of memory in use. ENERGY: 3417800 746.7123 2138.7216 1950.4727 121.2374 -206347.5753 17989.6897 0.0000 0.0000 34232.7204 -149168.0212 298.9629 -183400.7416 -149063.5793 299.0470 33.9854 66.3036 557497.4054 5.4033 5.3983 PRESSURE: 3418000 8.16508 -180.399 -57.5042 -180.399 -325.554 -38.8299 -57.5035 -38.8292 -43.8985 GPRESSURE: 3418000 42.5738 -158.657 -99.6494 -186.388 -302.38 -136.511 14.1415 -112.907 -10.9511 PRESSAVG: 3418000 -70.7204 -18.377 -27.0523 -18.3769 16.6567 -29.3385 -27.0523 -29.3385 55.9766 GPRESSAVG: 3418000 -70.6467 -18.5423 -29.593 -16.2369 16.6729 -29.0759 -25.5733 -30.7575 55.4694 TIMING: 3418000 CPU: 10175.3, 0.00293286/step Wall: 10175.3, 0.00293286/step, 1.28883 hours remaining, 206.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3418000 734.9513 2129.6535 1918.5156 114.0866 -206097.6519 17622.1058 0.0000 0.0000 34291.1020 -149287.2371 299.4727 -183578.3391 -149190.7281 298.8070 -120.4292 -90.2525 557624.9043 0.6376 0.4985 PRESSURE: 3418200 21.9092 -16.0059 -161.211 -16.0058 -20.6822 103.243 -161.21 103.243 -88.4161 GPRESSURE: 3418200 -10.1236 -67.2498 -32.5915 -66.1752 93.362 111.998 -197.366 122.274 -78.3107 PRESSAVG: 3418200 43.7777 27.9328 -23.0325 27.9329 -31.8038 -27.6959 -23.0326 -27.6959 5.93352 GPRESSAVG: 3418200 42.0427 28.8325 -20.1769 25.7469 -30.5552 -26.0364 -24.2011 -28.5375 5.93353 TIMING: 3418200 CPU: 10175.9, 0.00292932/step Wall: 10175.9, 0.00292932/step, 1.28711 hours remaining, 206.597656 MB of memory in use. ENERGY: 3418200 710.0360 2155.5831 1931.0170 102.1139 -206303.2777 17678.9359 0.0000 0.0000 34328.8277 -149396.7641 299.8022 -183725.5918 -149295.0043 299.3684 -29.0631 1.6426 556250.7284 5.9691 5.8070 PRESSURE: 3418400 121.79 -26.526 -5.19609 -26.5251 124.417 63.985 -5.19561 63.9825 170.203 GPRESSURE: 3418400 143.583 -21.9639 -33.8558 -4.46096 178.574 21.1681 -15.7971 85.5637 177.697 PRESSAVG: 3418400 37.1713 30.3687 24.096 30.3686 -58.7314 76.718 24.0959 76.718 38.9647 GPRESSAVG: 3418400 38.3058 31.3963 23.0073 30.4868 -60.072 76.7888 24.7304 77.7721 39.6032 TIMING: 3418400 CPU: 10176.5, 0.0029527/step Wall: 10176.5, 0.0029527/step, 1.29722 hours remaining, 206.597656 MB of memory in use. ENERGY: 3418400 715.8620 2139.7395 1946.7388 117.4905 -206444.4229 17850.8245 0.0000 0.0000 34228.6037 -149445.1638 298.9269 -183673.7675 -149341.9236 299.2718 138.8032 166.6180 556108.7706 5.8015 5.9457 PRESSURE: 3418600 -254.113 47.0118 38.3708 47.0109 -87.0556 -84.7542 38.3719 -84.7538 49.1915 GPRESSURE: 3418600 -289.958 -49.5468 107.64 163.592 8.01974 -68.1053 74.3694 -56.98 86.2276 PRESSAVG: 3418600 -53.4652 1.38151 -67.9329 1.38141 -83.9629 5.28544 -67.9329 5.28547 127.957 GPRESSAVG: 3418600 -54.6096 1.44176 -67.7002 1.33915 -81.7315 4.92696 -68.7574 6.34804 126.852 TIMING: 3418600 CPU: 10177.1, 0.00292781/step Wall: 10177.1, 0.00292781/step, 1.28612 hours remaining, 206.597656 MB of memory in use. ENERGY: 3418600 747.1500 2085.5501 1901.3616 108.3294 -206233.4423 17705.8074 0.0000 0.0000 34142.8680 -149542.3758 298.1782 -183685.2438 -149436.6074 298.0206 -97.3255 -65.2370 558339.0658 -3.1572 -3.1631 PRESSURE: 3418800 25.9442 4.85005 179.489 4.85068 -120.909 222.412 179.49 222.413 -64.8932 GPRESSURE: 3418800 37.438 30.8254 168.452 -59.3615 -55.3449 126.986 171.26 299.987 -52.2501 PRESSAVG: 3418800 -35.0776 76.1084 7.83715 76.1084 56.6788 -2.03974 7.83712 -2.03985 5.96436 GPRESSAVG: 3418800 -32.6847 75.4474 8.58275 76.0272 54.9402 -1.30617 7.65881 -4.41088 6.04238 TIMING: 3418800 CPU: 10177.6, 0.00294186/step Wall: 10177.6, 0.00294186/step, 1.29213 hours remaining, 206.597656 MB of memory in use. ENERGY: 3418800 743.2471 2126.0711 1934.4860 115.7071 -206418.6993 17823.6897 0.0000 0.0000 34066.7192 -149608.7791 297.5131 -183675.4983 -149507.5955 297.7639 -53.2860 -23.3857 557870.2992 9.1885 9.4326 PRESSURE: 3419000 204.352 157.317 -52.5699 157.316 133.539 -69.8756 -52.5714 -69.8775 228.587 GPRESSURE: 3419000 261.3 185.488 -98.9287 118.265 166.826 -58.1913 -3.12384 -73.6298 246.294 PRESSAVG: 3419000 -36.5174 29.1911 26.6557 29.191 25.8103 -0.802864 26.6558 -0.80292 9.62988 GPRESSAVG: 3419000 -37.6468 29.4707 24.8007 30.2621 26.4418 -0.238781 27.0635 -1.06303 9.7232 TIMING: 3419000 CPU: 10178.2, 0.00294415/step Wall: 10178.2, 0.00294414/step, 1.29297 hours remaining, 206.597656 MB of memory in use. ENERGY: 3419000 756.4825 2085.0955 1947.7062 110.8841 -207115.2536 18263.9766 0.0000 0.0000 34294.5681 -149656.5407 299.5030 -183951.1087 -149565.4708 298.6745 188.8258 224.8066 555352.0454 -0.3591 -0.4940 PRESSURE: 3419200 -162.105 210.825 37.6928 210.825 -13.5849 130.577 37.691 130.578 -326.991 GPRESSURE: 3419200 -198.4 253.148 102.038 203.251 56.3349 108.167 -11.5135 93.171 -255.621 PRESSAVG: 3419200 -106.797 23.0307 -29.6256 23.0308 34.1512 -33.5439 -29.6256 -33.5438 88.3631 GPRESSAVG: 3419200 -106.24 22.887 -29.4922 21.6522 32.7266 -35.1147 -30.381 -32.623 89.6087 TIMING: 3419200 CPU: 10178.8, 0.00293793/step Wall: 10178.8, 0.00293793/step, 1.29008 hours remaining, 206.597656 MB of memory in use. ENERGY: 3419200 723.9088 2134.4194 1933.9327 126.9058 -206157.9112 17457.7841 0.0000 0.0000 34234.9951 -149545.9654 298.9827 -183780.9605 -149448.2475 298.2534 -167.5602 -132.5623 556833.3560 5.2390 5.3652 PRESSURE: 3419400 -91.3783 130.668 157.997 130.668 126.412 -12.4968 157.996 -12.4944 30.5891 GPRESSURE: 3419400 -98.2766 137.74 148.908 138.503 229.883 -27.5761 200.115 44.1318 31.9407 PRESSAVG: 3419400 -53.9968 4.12686 -0.431525 4.12682 48.9477 -20.9895 -0.431531 -20.9894 19.0608 GPRESSAVG: 3419400 -53.0068 4.04992 1.12188 5.72916 49.8236 -20.8605 -0.574735 -19.6429 16.9612 TIMING: 3419400 CPU: 10179.4, 0.00294189/step Wall: 10179.4, 0.00294189/step, 1.29165 hours remaining, 206.597656 MB of memory in use. ENERGY: 3419400 743.4675 2096.3093 1915.3429 112.4511 -206235.4242 17798.8409 0.0000 0.0000 34375.0036 -149194.0089 300.2055 -183569.0125 -149108.1563 298.7120 21.8741 54.5156 556837.9933 4.6706 4.5926 PRESSURE: 3419600 -70.6501 78.3463 240.833 78.3442 -11.4037 81.9295 240.832 81.9298 26.2271 GPRESSURE: 3419600 -0.937542 59.0024 264.866 66.5737 -9.80191 160.21 220.13 103.537 52.784 PRESSAVG: 3419600 -48.9991 46.8388 47.7223 46.8388 21.3467 50.0984 47.7224 50.0985 -0.905041 GPRESSAVG: 3419600 -49.5978 43.3285 47.8826 46.939 20.6144 50.2716 47.751 51.7518 0.618405 TIMING: 3419600 CPU: 10180, 0.00294712/step Wall: 10180, 0.00294712/step, 1.29379 hours remaining, 206.597656 MB of memory in use. ENERGY: 3419600 756.8607 2076.3273 1960.4351 119.6489 -206572.6426 17899.1035 0.0000 0.0000 34414.2082 -149346.0588 300.5478 -183760.2671 -149251.7683 299.8154 -18.6089 14.0149 556504.5673 -9.5191 -9.4550 PRESSURE: 3419800 62.2948 -6.99534 124.896 -6.99664 159.685 -70.1738 124.896 -70.1741 263.012 GPRESSURE: 3419800 103.012 13.5873 73.8447 -80.5482 191.243 -29.9585 97.7488 -16.2829 294.709 PRESSAVG: 3419800 -16.036 -15.9352 66.765 -15.9353 -10.9265 49.3669 66.765 49.367 25.2392 GPRESSAVG: 3419800 -15.7919 -14.4077 66.0911 -16.372 -10.7712 50.0641 67.5678 47.4085 24.7751 TIMING: 3419800 CPU: 10180.6, 0.00297137/step Wall: 10180.6, 0.00297137/step, 1.30427 hours remaining, 206.597656 MB of memory in use. ENERGY: 3419800 725.9028 2152.8388 1903.9556 113.9713 -206538.1730 18059.2437 0.0000 0.0000 34317.7844 -149264.4764 299.7057 -183582.2608 -149168.3148 299.2123 161.6638 196.3214 556261.9014 -0.5745 -0.5960 PRESSURE: 3420000 27.3328 11.2434 85.8229 11.2437 -351.887 10.587 85.8218 10.5871 102.348 GPRESSURE: 3420000 20.8342 7.48159 101.437 14.8725 -257.668 33.9398 91.4462 -4.99957 106.379 PRESSAVG: 3420000 -44.4645 11.478 23.4846 11.4779 16.2535 -27.9555 23.4846 -27.9557 31.2357 GPRESSAVG: 3420000 -44.8111 12.691 22.0009 11.9466 17.1255 -29.0688 23.2374 -27.7815 30.4899 TIMING: 3420000 CPU: 10181.2, 0.00296992/step Wall: 10181.2, 0.00296991/step, 1.30346 hours remaining, 206.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3420000 781.7034 2064.9803 1942.7636 122.2449 -206170.3850 17721.1275 0.0000 0.0000 34206.2523 -149331.3132 298.7317 -183537.5654 -149233.8892 298.9827 -74.0687 -43.4850 557227.0096 1.0082 0.9348 PRESSURE: 3420200 156.041 -42.9362 58.0233 -42.9354 19.0419 226.392 58.0247 226.393 365.792 GPRESSURE: 3420200 196.163 -86.4152 -3.24594 20.7174 80.038 186.245 42.8124 184.065 363 PRESSAVG: 3420200 15.7562 3.53693 18.3669 3.53704 -39.5075 2.30685 18.3669 2.30679 -1.77602 GPRESSAVG: 3420200 16.0887 4.08879 18.5074 4.35115 -39.4198 3.2423 18.5158 1.87301 -2.00316 TIMING: 3420200 CPU: 10181.8, 0.00293108/step Wall: 10181.8, 0.00293108/step, 1.28625 hours remaining, 206.597656 MB of memory in use. ENERGY: 3420200 710.7790 2102.4732 1917.3472 122.7614 -206465.4451 18094.7253 0.0000 0.0000 34219.9690 -149297.3899 298.8515 -183517.3589 -149199.7090 298.6711 180.2915 213.0668 556741.1071 -8.5091 -8.4448 LDB: ============= START OF LOAD BALANCING ============== 10185.3 LDB: ============== END OF LOAD BALANCING =============== 10185.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10185.3 LDB: ============= START OF LOAD BALANCING ============== 10185.6 LDB: Largest compute 4801 load 0.024009 is 20.3% of average load 0.118256 LDB: Average compute 0.001714 is 1.4% of average load 0.118256 LDB: TIME 10185.6 LOAD: AVG 0.118256 MAX 0.195795 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.109 MB LDB: TIME 10185.6 LOAD: AVG 0.118256 MAX 0.195795 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.109 MB LDB: TIME 10185.6 LOAD: AVG 0.118256 MAX 0.195795 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.109 MB LDB: ============== END OF LOAD BALANCING =============== 10185.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10185.6 PRESSURE: 3420400 61.3729 86.7746 17.8739 86.7759 91.4136 -53.529 17.8727 -53.527 -172.937 GPRESSURE: 3420400 103.562 103.446 19.1673 146.25 132.848 -70.7295 5.05948 -51.2255 -168.256 PRESSAVG: 3420400 36.981 2.31414 9.70148 2.31413 -21.4181 17.0465 9.70151 17.0464 -34.4475 GPRESSAVG: 3420400 37.4657 0.79065 10.9579 0.97619 -22.6087 16.1943 8.22284 17.3038 -33.9034 TIMING: 3420400 CPU: 10182.4, 0.0030101/step Wall: 10182.4, 0.0030101/step, 1.32077 hours remaining, 208.140625 MB of memory in use. ENERGY: 3420400 739.8566 2073.0625 1900.3412 114.3512 -206412.9159 17838.8591 0.0000 0.0000 34282.2430 -149464.2023 299.3954 -183746.4453 -149373.4756 298.6447 -6.7167 22.7179 557727.6473 -6.2949 -6.3488 PRESSURE: 3420600 -245.199 -73.2114 99.6083 -73.2108 -96.8241 53.9328 99.6076 53.9339 -217.35 GPRESSURE: 3420600 -203.982 -97.8065 102.121 -13.0007 -68.4085 122.387 181.89 51.4987 -167.878 PRESSAVG: 3420600 -19.8184 13.4664 15.2862 13.4664 36.8002 15.1406 15.2863 15.1405 -25.4905 GPRESSAVG: 3420600 -21.424 15.4377 14.391 12.7393 38.0171 15.7221 16.0687 16.2632 -24.8859 TIMING: 3420600 CPU: 10183, 0.00294224/step Wall: 10183, 0.00294224/step, 1.29083 hours remaining, 208.140625 MB of memory in use. ENERGY: 3420600 749.0952 2064.1211 1945.0411 107.1827 -206240.7116 17504.8948 0.0000 0.0000 34388.3667 -149482.0102 300.3222 -183870.3768 -149387.1714 298.7720 -186.4578 -146.7562 557002.0130 -2.8363 -2.7642 PRESSURE: 3420800 -176.181 -11.4818 195.523 -11.4815 78.3891 48.4909 195.523 48.4928 -106.064 GPRESSURE: 3420800 -100.19 -37.4977 218.623 -3.99728 83.0427 32.4227 152.983 142.271 -87.7471 PRESSAVG: 3420800 -4.83567 5.93099 -27.4853 5.9309 -3.65717 -9.62766 -27.4854 -9.62748 20.0357 GPRESSAVG: 3420800 -4.97502 6.91194 -26.864 5.42279 -2.51892 -10.4102 -27.5931 -10.9995 18.7816 TIMING: 3420800 CPU: 10183.5, 0.00292969/step Wall: 10183.5, 0.00292969/step, 1.28516 hours remaining, 208.140625 MB of memory in use. ENERGY: 3420800 717.8121 2072.5849 1944.7341 108.5048 -206068.3014 17570.2808 0.0000 0.0000 34147.5705 -149506.8142 298.2192 -183654.3848 -149404.4060 299.0820 -67.9521 -34.9649 558579.2356 3.8476 3.7626 PRESSURE: 3421000 -16.7246 -100.714 -35.6893 -100.713 251.898 73.922 -35.6893 73.9209 -83.1581 GPRESSURE: 3421000 40.0565 -82.3804 -27.2459 -111.059 228.149 158.231 -10.0529 -16.6771 -32.3954 PRESSAVG: 3421000 65.1677 1.52458 28.5598 1.52459 12.9466 127.099 28.5597 127.099 -116.438 GPRESSAVG: 3421000 65.684 -0.626771 30.4932 3.73636 11.6287 129.267 28.9828 125.915 -115.56 TIMING: 3421000 CPU: 10184.1, 0.00295635/step Wall: 10184.1, 0.00295635/step, 1.29669 hours remaining, 208.140625 MB of memory in use. ENERGY: 3421000 735.4522 1990.9788 1944.7005 110.1736 -206158.3785 17828.6223 0.0000 0.0000 33976.7046 -149571.7467 296.7270 -183548.4513 -149478.9550 297.8683 50.6717 78.6035 557321.5379 -12.7747 -12.7490 PRESSURE: 3421200 -117.931 -48.5138 73.3007 -48.5117 -64.6895 -36.5709 73.3018 -36.5724 -47.2529 GPRESSURE: 3421200 -83.626 -98.0628 89.0396 22.4825 -15.2077 19.9034 40.6184 -68.6708 -30.0073 PRESSAVG: 3421200 -26.1662 -2.10549 32.4745 -2.10553 -17.128 16.3916 32.4745 16.3916 -10.0619 GPRESSAVG: 3421200 -25.2923 1.12057 29.8355 -3.74771 -16.9464 14.6895 32.6313 17.7167 -10.776 TIMING: 3421200 CPU: 10184.7, 0.00293184/step Wall: 10184.7, 0.00293184/step, 1.28577 hours remaining, 208.140625 MB of memory in use. ENERGY: 3421200 713.9706 2065.4284 1921.0845 99.5887 -206180.5414 17731.1569 0.0000 0.0000 34202.3251 -149446.9871 298.6974 -183649.3122 -149356.3737 297.7976 -76.6243 -42.9470 558420.4810 -17.7854 -17.6716 PRESSURE: 3421400 -90.8377 -142.541 -98.1908 -142.543 -291.798 33.6397 -98.1914 33.6392 -164.756 GPRESSURE: 3421400 -59.9392 -129.91 15.2461 -179.044 -271.923 51.9081 -179.714 15.7756 -127.228 PRESSAVG: 3421400 -41.9085 16.4033 36.297 16.4032 -3.59551 2.34668 36.2969 2.34659 22.7182 GPRESSAVG: 3421400 -42.4613 15.4657 37.6207 16.1778 -3.44043 2.71064 35.9319 1.22212 22.8479 TIMING: 3421400 CPU: 10185.3, 0.00293953/step Wall: 10185.3, 0.00293953/step, 1.28898 hours remaining, 208.140625 MB of memory in use. ENERGY: 3421400 711.3370 2063.7798 1948.9332 105.3229 -205944.1938 17686.6056 0.0000 0.0000 34025.6689 -149402.5464 297.1546 -183428.2153 -149301.9707 298.0871 -182.4641 -153.0300 560954.6456 -7.5953 -7.6846 PRESSURE: 3421600 -248.429 -175.427 50.3172 -175.429 -84.5921 91.4591 50.3175 91.4595 121.359 GPRESSURE: 3421600 -241.05 -135.426 -0.718986 -216.49 -34.2943 98.9584 170.414 87.0253 168.288 PRESSAVG: 3421600 -73.4453 -52.8776 36.8259 -52.8775 -19.3723 18.6745 36.8258 18.6745 61.0394 GPRESSAVG: 3421600 -72.7678 -55.3348 36.2727 -51.9326 -19.9549 17.8665 35.1653 19.2865 60.8327 TIMING: 3421600 CPU: 10185.9, 0.00293115/step Wall: 10185.9, 0.00293115/step, 1.28515 hours remaining, 208.140625 MB of memory in use. ENERGY: 3421600 719.4697 2030.6260 1957.4926 119.5805 -205964.4037 17702.8371 0.0000 0.0000 33980.0448 -149454.3531 296.7562 -183434.3979 -149359.5133 298.9163 -70.5539 -35.6854 558668.7212 -10.5927 -10.6300 PRESSURE: 3421800 -77.7576 -55.7313 -24.4901 -55.7307 -118.727 11.772 -24.4907 11.7725 -80.3447 GPRESSURE: 3421800 -15.3458 -11.9201 -37.9998 -144.593 -106.157 -23.912 -5.45362 154.934 -53.0581 PRESSAVG: 3421800 -83.2299 -39.0974 43.5677 -39.0973 -10.9533 -13.3734 43.5677 -13.3734 57.4434 GPRESSAVG: 3421800 -84.0344 -38.8068 41.6651 -39.174 -10.1283 -10.9998 45.9737 -13.4852 57.1526 TIMING: 3421800 CPU: 10186.5, 0.00294713/step Wall: 10186.5, 0.00294713/step, 1.29199 hours remaining, 208.140625 MB of memory in use. ENERGY: 3421800 732.4603 2041.0482 1920.8329 116.9869 -206011.5398 17581.4049 0.0000 0.0000 34203.0669 -149415.7398 298.7039 -183618.8067 -149324.9814 298.3979 -92.2763 -58.1871 557027.3923 -12.2466 -12.3367 PRESSURE: 3422000 -46.8382 187.1 -90.0943 187.1 18.027 76.9527 -90.0942 76.9518 -66.5216 GPRESSURE: 3422000 -17.1618 162.267 30.3084 69.8142 50.3281 69.1571 -157.09 115.472 -17.6397 PRESSAVG: 3422000 -18.9857 6.21606 28.3704 6.21617 17.7913 44.1505 28.3704 44.1504 32.2 GPRESSAVG: 3422000 -18.7384 9.61001 31.9825 5.2933 18.426 42.2791 27.1339 45.5118 31.1801 TIMING: 3422000 CPU: 10187.1, 0.0029422/step Wall: 10187.1, 0.0029422/step, 1.28966 hours remaining, 208.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3422000 717.1079 2058.6120 1897.7021 117.0647 -206338.7057 17857.2720 0.0000 0.0000 34319.0903 -149371.8567 299.7172 -183690.9470 -149274.6182 298.6637 -31.7776 5.1755 558314.6043 10.3352 10.2892 PRESSURE: 3422200 86.0363 121.296 -58.7822 121.296 -23.592 -9.90307 -58.783 -9.90342 -11.2451 GPRESSURE: 3422200 42.0467 132.297 -86.2362 133.756 39.9288 -21.1331 -110.459 46.1467 61.0445 PRESSAVG: 3422200 34.6501 11.9718 -54.2517 11.9718 4.33879 -4.16549 -54.2517 -4.16553 -6.35479 GPRESSAVG: 3422200 34.8637 8.44701 -54.6678 12.4936 2.73295 -2.12165 -54.8314 -5.41246 -5.30012 TIMING: 3422200 CPU: 10187.7, 0.00294824/step Wall: 10187.7, 0.00294824/step, 1.29215 hours remaining, 208.140625 MB of memory in use. ENERGY: 3422200 744.2945 2059.2412 1925.1128 118.9134 -206177.0121 17784.7885 0.0000 0.0000 34223.3591 -149321.3027 298.8811 -183544.6618 -149225.4345 298.8173 17.0664 47.6733 558717.8886 10.8780 10.7655 PRESSURE: 3422400 -130.65 -100.899 -20.4963 -100.9 137.893 -12.3531 -20.4963 -12.3533 -218.351 GPRESSURE: 3422400 -82.3697 -85.2859 37.7283 -17.8568 151.939 -93.2517 -57.0653 2.76028 -180.196 PRESSAVG: 3422400 -2.68745 -2.89306 -70.2682 -2.89303 32.1253 19.0889 -70.2683 19.0889 21.2597 GPRESSAVG: 3422400 -2.9226 -2.77717 -72.5782 -1.9089 33.5206 17.4178 -70.035 19.5525 20.7566 TIMING: 3422400 CPU: 10188.3, 0.00294371/step Wall: 10188.3, 0.00294371/step, 1.29 hours remaining, 208.140625 MB of memory in use. ENERGY: 3422400 714.2464 2049.0967 1934.7460 118.1379 -206171.6149 17786.9796 0.0000 0.0000 34239.4085 -149328.9998 299.0213 -183568.4084 -149233.3637 299.0576 -70.3690 -36.8756 556922.6396 16.8992 17.1182 PRESSURE: 3422600 -244.522 -76.6523 -27.6919 -76.6515 -231.032 1.77906 -27.6915 1.77846 -13.2737 GPRESSURE: 3422600 -182.924 -88.7543 -30.5776 -38.6729 -206.512 0.900108 -1.51567 71.1905 -21.1177 PRESSAVG: 3422600 -100.686 -5.98732 -26.5898 -5.98728 -14.6433 -60.3574 -26.5897 -60.3574 72.2402 GPRESSAVG: 3422600 -98.8468 -8.02993 -26.7595 -5.1452 -15.5105 -57.4635 -26.7332 -60.3149 70.9022 TIMING: 3422600 CPU: 10188.8, 0.00293317/step Wall: 10188.8, 0.00293317/step, 1.28522 hours remaining, 208.140625 MB of memory in use. ENERGY: 3422600 713.8035 2094.3957 1927.7437 114.8776 -205680.2614 17411.9219 0.0000 0.0000 33974.4274 -149443.0915 296.7071 -183417.5189 -149346.8854 298.5836 -162.9425 -136.8514 558436.3355 -14.3631 -14.4850 PRESSURE: 3422800 -90.6433 102.09 -10.5605 102.089 -309.302 182.995 -10.5609 182.996 -379.316 GPRESSURE: 3422800 -29.8518 193.054 -17.6041 75.1967 -318.336 89.0024 -31.2503 135.504 -345.687 PRESSAVG: 3422800 15.8815 3.45935 -27.4317 3.45928 9.49414 28.1819 -27.4316 28.182 4.32801 GPRESSAVG: 3422800 14.0327 5.77657 -25.7101 1.85832 10.9829 26.9198 -25.7674 26.2913 5.27713 TIMING: 3422800 CPU: 10189.4, 0.00293453/step Wall: 10189.4, 0.00293453/step, 1.28565 hours remaining, 208.140625 MB of memory in use. ENERGY: 3422800 741.5375 2099.3158 1910.0429 108.8860 -205764.3821 17357.6866 0.0000 0.0000 34238.7152 -149308.1982 299.0152 -183546.9133 -149215.4112 298.9141 -259.7538 -231.2914 556674.9140 9.9012 10.0976 PRESSURE: 3423000 -108.42 -139.051 43.2777 -139.051 -86.419 -8.14172 43.2778 -8.14275 -109.218 GPRESSURE: 3423000 -109.541 -143.698 -20.0075 -117.438 -21.6588 -86.0041 12.7065 101.285 -77.0464 PRESSAVG: 3423000 -10.4933 14.6895 -2.80029 14.6894 -7.16096 -10.9841 -2.80029 -10.9841 -41.8118 GPRESSAVG: 3423000 -10.2246 13.1759 -3.85575 17.2342 -8.04455 -11.6705 -3.22666 -8.25709 -41.7428 TIMING: 3423000 CPU: 10190, 0.0029257/step Wall: 10190, 0.0029257/step, 1.28162 hours remaining, 208.140625 MB of memory in use. ENERGY: 3423000 745.9175 2087.3408 1915.2738 89.3429 -206190.6559 17701.6756 0.0000 0.0000 34145.6044 -149505.5008 298.2021 -183651.1052 -149415.5911 299.2117 -101.3523 -69.4153 556690.6793 -19.8220 -20.0040 PRESSURE: 3423200 -320.932 164.166 107.504 164.166 -103.893 -151.547 107.503 -151.547 -19.9855 GPRESSURE: 3423200 -351.553 185.671 191.676 156.278 -104.487 -88.6348 62.8495 -148.158 97.3947 PRESSAVG: 3423200 -10.1915 11.5311 32.3784 11.5312 -16.1204 24.286 32.3782 24.286 35.5182 GPRESSAVG: 3423200 -9.35027 12.125 32.0749 8.36645 -16.5523 24.1064 32.7768 23.5255 35.7257 TIMING: 3423200 CPU: 10190.6, 0.00293086/step Wall: 10190.6, 0.00293086/step, 1.28372 hours remaining, 208.140625 MB of memory in use. ENERGY: 3423200 724.2372 2082.8146 1930.8835 109.3379 -206281.1400 17853.3199 0.0000 0.0000 34159.5635 -149420.9833 298.3240 -183580.5468 -149332.0884 298.4162 -148.2701 -119.5485 558555.1848 3.0688 3.2744 PRESSURE: 3423400 -110.509 -49.8204 33.6632 -49.8185 50.9681 88.6239 33.6639 88.6237 92.6869 GPRESSURE: 3423400 -81.3278 -18.0942 -28.9137 -98.2178 89.0619 135.261 20.124 87.7503 125.233 PRESSAVG: 3423400 -18.5738 8.99689 -14.9385 8.99682 -22.0352 23.8973 -14.9385 23.8974 95.3004 GPRESSAVG: 3423400 -17.708 9.65291 -13.7304 8.30054 -22.5346 24.8921 -15.1623 23.223 95.0391 TIMING: 3423400 CPU: 10191.2, 0.00294186/step Wall: 10191.2, 0.00294187/step, 1.28837 hours remaining, 208.140625 MB of memory in use. ENERGY: 3423400 755.4801 2078.8390 1938.8710 120.6142 -205882.5163 17604.5718 0.0000 0.0000 34125.5412 -149258.5990 298.0268 -183384.1402 -149165.8344 299.4801 11.0486 44.3223 557260.7525 18.2305 18.2655 PRESSURE: 3423600 95.2298 83.2948 38.9527 83.2949 423.307 -36.7495 38.9542 -36.7493 -40.4231 GPRESSURE: 3423600 134.332 55.3229 -31.9479 29.2617 449.034 -95.2954 28.5176 -90.8871 -29.5802 PRESSAVG: 3423600 -21.7616 -11.9696 57.6352 -11.9697 44.1984 24.2153 57.6352 24.2153 -0.0595489 GPRESSAVG: 3423600 -23.0117 -12.9323 57.7423 -12.583 45.3606 24.165 55.838 24.7414 -0.131595 TIMING: 3423600 CPU: 10191.8, 0.00292168/step Wall: 10191.8, 0.00292168/step, 1.27937 hours remaining, 208.140625 MB of memory in use. ENERGY: 3423600 715.8590 2088.0979 1940.2995 110.6482 -206179.5958 17908.5331 0.0000 0.0000 34206.8793 -149209.2788 298.7372 -183416.1581 -149108.1959 299.2424 159.3711 184.5955 558153.1664 7.4591 7.4058 PRESSURE: 3423800 -105.331 8.44575 -85.3241 8.44467 89.0416 -52.2443 -85.325 -52.2455 207.747 GPRESSURE: 3423800 -46.7483 10.0681 -87.9211 43.8014 93.7188 -107.24 -36.1289 -56.8685 240.815 PRESSAVG: 3423800 -50.6995 23.8572 1.23477 23.8572 34.1356 11.9337 1.23474 11.9337 -0.13482 GPRESSAVG: 3423800 -51.72 25.4023 -0.85864 26.1987 34.6951 12.6295 3.8677 11.0974 0.283686 TIMING: 3423800 CPU: 10192.4, 0.00291568/step Wall: 10192.4, 0.00291568/step, 1.27658 hours remaining, 208.140625 MB of memory in use. ENERGY: 3423800 708.3108 2082.7078 1907.1613 125.0445 -206017.8692 17748.9666 0.0000 0.0000 34320.4237 -149125.2546 299.7288 -183445.6783 -149027.3184 298.8607 63.8192 95.9286 557508.9188 -5.5662 -5.5804 PRESSURE: 3424000 -41.4771 -153.509 35.8756 -153.51 -209.02 23.9592 35.875 23.9602 159.678 GPRESSURE: 3424000 -3.83725 -221.167 -21.5233 -177.334 -183.935 37.5732 22.7161 6.96954 200.168 PRESSAVG: 3424000 -11.4242 -7.43491 -2.47385 -7.43498 -59.8767 2.60121 -2.47369 2.60109 110.442 GPRESSAVG: 3424000 -10.7805 -7.03014 -1.46517 -9.12763 -59.6933 0.603232 -3.85758 3.99217 109.356 TIMING: 3424000 CPU: 10192.9, 0.00292944/step Wall: 10192.9, 0.00292944/step, 1.28244 hours remaining, 208.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3424000 757.5206 2079.5220 1912.1184 123.3241 -205910.7009 17679.7795 0.0000 0.0000 34378.6574 -148979.7788 300.2374 -183358.4363 -148888.6241 300.1576 -30.2732 4.1319 556869.9642 13.0471 12.9609 PRESSURE: 3424200 367.721 -120.57 -11.6433 -120.569 234.804 24.0555 -11.6426 24.0562 381.14 GPRESSURE: 3424200 437.889 -173.206 47.1113 -106.187 213.059 -49.2451 -33.4857 11.0681 433.098 PRESSAVG: 3424200 -42.1441 18.8377 36.5518 18.8376 -33.1457 11.9845 36.5518 11.9845 47.7906 GPRESSAVG: 3424200 -41.8377 17.5442 37.1978 18.6454 -33.6409 12.0385 35.6688 10.2432 48.3768 TIMING: 3424200 CPU: 10193.5, 0.00293674/step Wall: 10193.5, 0.00293674/step, 1.28548 hours remaining, 208.140625 MB of memory in use. ENERGY: 3424200 720.0566 2122.4047 1895.0559 103.3737 -206329.2772 18090.7572 0.0000 0.0000 34383.1682 -149014.4610 300.2768 -183397.6292 -148926.0476 299.9852 327.8884 361.3489 555129.8586 -9.1664 -9.0339 LDB: ============= START OF LOAD BALANCING ============== 10197.1 LDB: ============== END OF LOAD BALANCING =============== 10197.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10197.1 LDB: ============= START OF LOAD BALANCING ============== 10197.4 LDB: Largest compute 4772 load 0.023803 is 20.1% of average load 0.118237 LDB: Average compute 0.001707 is 1.4% of average load 0.118237 LDB: TIME 10197.4 LOAD: AVG 0.118237 MAX 0.196865 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.379 MB LDB: TIME 10197.4 LOAD: AVG 0.118237 MAX 0.196865 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.379 MB LDB: TIME 10197.4 LOAD: AVG 0.118237 MAX 0.196865 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.379 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10197.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10197.4 PRESSURE: 3424400 -43.2161 12.1314 81.0042 12.1321 142.467 80.4553 81.0043 80.4556 -142.552 GPRESSURE: 3424400 -47.2378 68.6637 102.236 -24.8214 241.103 132.214 50.4668 93.0655 -132.472 PRESSAVG: 3424400 -18.2775 -6.95319 2.59828 -6.95322 -9.74541 28.3444 2.59827 28.3445 59.9173 GPRESSAVG: 3424400 -18.8944 -6.26417 3.59567 -7.16709 -9.24399 30.0584 3.1771 27.0299 60.8943 TIMING: 3424400 CPU: 10194.1, 0.00298247/step Wall: 10194.1, 0.00298247/step, 1.30533 hours remaining, 208.085938 MB of memory in use. ENERGY: 3424400 758.5186 2022.0193 1924.5307 110.1966 -206104.8838 17845.8881 0.0000 0.0000 34389.9468 -149053.7837 300.3360 -183443.7305 -148960.1521 300.6058 -14.4337 20.4645 557055.9777 10.6315 10.9186 PRESSURE: 3424600 -1.70423 54.2134 31.6057 54.2136 108.22 74.2963 31.6052 74.2974 250.014 GPRESSURE: 3424600 18.9802 94.1188 -23.736 10.0178 146.339 134.014 153.581 87.0589 283.883 PRESSAVG: 3424600 -49.281 -11.6088 25.6838 -11.6088 11.1715 -30.8895 25.6838 -30.8894 36.3368 GPRESSAVG: 3424600 -48.2965 -10.3781 23.5772 -12.2192 10.8135 -34.3894 26.8299 -27.8145 35.4465 TIMING: 3424600 CPU: 10194.7, 0.00291263/step Wall: 10194.7, 0.00291263/step, 1.2746 hours remaining, 208.085938 MB of memory in use. ENERGY: 3424600 768.5268 2075.8371 1955.9190 112.9762 -206100.2376 17969.8323 0.0000 0.0000 34220.3772 -148996.7691 298.8551 -183217.1463 -148900.1692 299.6407 118.8434 149.7339 557902.3671 -0.5909 -0.6788 PRESSURE: 3424800 128.503 47.4589 96.7764 47.4581 16.8008 75.8838 96.7764 75.884 143.165 GPRESSURE: 3424800 162.095 55.325 82.8223 76.7248 45.1499 70.6438 125.424 92.2605 184.579 PRESSAVG: 3424800 0.839434 71.8631 -12.3669 71.8631 -3.25764 -50.0763 -12.3669 -50.0763 -15.8457 GPRESSAVG: 3424800 0.751872 69.1994 -10.4237 74.5397 -1.73971 -49.3534 -13.0796 -50.1156 -16.7192 TIMING: 3424800 CPU: 10195.3, 0.00292972/step Wall: 10195.3, 0.00292972/step, 1.28191 hours remaining, 208.085938 MB of memory in use. ENERGY: 3424800 741.0654 2051.7491 1942.7219 108.1173 -206260.0781 18070.6180 0.0000 0.0000 34241.7995 -149104.0067 299.0422 -183345.8063 -149006.5205 300.0875 96.1562 130.6077 558306.1429 -6.0880 -5.9024 PRESSURE: 3425000 -16.2169 142.907 172.877 142.908 -139.012 -36.8918 172.877 -36.8927 -15.9676 GPRESSURE: 3425000 41.8749 187.967 174.247 18.1529 -154.678 -20.5378 150.455 -70.8596 37.8988 PRESSAVG: 3425000 -10.499 63.2156 -1.08447 63.2156 8.08799 2.8998 -1.08452 2.89977 -7.95049 GPRESSAVG: 3425000 -10.9803 65.1456 -1.90092 60.7311 7.48585 4.0693 -1.26576 2.06273 -7.21172 TIMING: 3425000 CPU: 10195.9, 0.00294114/step Wall: 10195.9, 0.00294114/step, 1.28675 hours remaining, 208.085938 MB of memory in use. ENERGY: 3425000 718.8823 2136.1311 1929.6911 108.4215 -205576.0864 17494.3234 0.0000 0.0000 34238.9703 -148949.6667 299.0174 -183188.6369 -148849.9101 299.4092 -57.0656 -24.9682 557398.8255 -3.4538 -3.5687 PRESSURE: 3425200 17.9939 -51.8856 12.7304 -51.8855 -198.121 -144.22 12.7294 -144.221 85.7761 GPRESSURE: 3425200 99.156 -106.15 28.1994 -2.75274 -178.942 -135.159 -26.2351 -159.751 88.7549 PRESSAVG: 3425200 -2.46844 55.8977 -22.5466 55.8978 18.0577 36.9302 -22.5466 36.9301 -14.9893 GPRESSAVG: 3425200 -1.55134 55.1625 -23.0046 56.0285 18.208 37.0664 -21.9667 36.8498 -16.4834 TIMING: 3425200 CPU: 10196.5, 0.00294709/step Wall: 10196.5, 0.00294709/step, 1.28919 hours remaining, 208.085938 MB of memory in use. ENERGY: 3425200 749.6817 2128.3200 1915.7576 114.7528 -206418.7452 17850.8786 0.0000 0.0000 34612.0480 -149047.3066 302.2756 -183659.3545 -148949.4164 300.0820 -31.4502 2.9896 556248.1560 0.2000 0.0577 PRESSURE: 3425400 78.2821 -65.4963 52.1026 -65.4954 -253.819 -38.4735 52.1035 -38.4751 224.977 GPRESSURE: 3425400 136.238 -75.5164 119.056 -26.5039 -210.213 12.3161 55.2921 33.9187 220.634 PRESSAVG: 3425400 -28.5218 -21.1368 15.7594 -21.1367 17.7089 2.54444 15.7594 2.54437 -5.38869 GPRESSAVG: 3425400 -28.758 -21.8303 16.1608 -19.9512 16.3571 3.76668 15.1107 1.21922 -3.96776 TIMING: 3425400 CPU: 10197.1, 0.00295547/step Wall: 10197.1, 0.00295547/step, 1.29269 hours remaining, 208.085938 MB of memory in use. ENERGY: 3425400 724.4705 2065.9417 1948.4426 108.3954 -206263.4006 17780.2513 0.0000 0.0000 34483.0361 -149152.8630 301.1489 -183635.8990 -149053.7530 300.1108 16.4800 48.8864 557078.0037 -5.4005 -5.4562 PRESSURE: 3425600 -274.212 -140.219 148.278 -140.22 -157.028 17.9087 148.278 17.9107 8.46383 GPRESSURE: 3425600 -252.631 -35.5152 145.13 -230.734 -118.136 2.71409 213.484 48.2705 46.9259 PRESSAVG: 3425600 -20.4149 -37.1378 66.0991 -37.1378 -46.7935 -4.32623 66.0991 -4.32618 58.4304 GPRESSAVG: 3425600 -21.5445 -37.2715 65.2574 -37.4363 -46.7397 -5.66658 67.2717 -1.96349 59.5545 TIMING: 3425600 CPU: 10197.7, 0.00293742/step Wall: 10197.7, 0.00293742/step, 1.28463 hours remaining, 208.085938 MB of memory in use. ENERGY: 3425600 750.1824 2059.2472 1928.8697 93.7730 -205837.4995 17462.7242 0.0000 0.0000 34358.3313 -149184.3717 300.0599 -183542.7030 -149081.8598 299.7705 -140.9254 -107.9471 557441.6577 -2.9260 -2.9099 PRESSURE: 3425800 115.865 9.34408 48.3271 9.34352 136.222 54.868 48.3279 54.8664 20.1517 GPRESSURE: 3425800 202.043 54.9349 -40.8153 -61.4393 122.628 128.083 134.692 -86.4193 50.7517 PRESSAVG: 3425800 38.6804 -54.761 13.804 -54.7611 -6.09497 -8.60116 13.804 -8.60112 -29.5879 GPRESSAVG: 3425800 39.2386 -53.4881 15.3271 -56.3213 -4.71917 -6.64386 12.0061 -10.5042 -31.1732 TIMING: 3425800 CPU: 10198.2, 0.00293619/step Wall: 10198.2, 0.00293619/step, 1.28393 hours remaining, 208.085938 MB of memory in use. ENERGY: 3425800 747.6739 2044.4307 1908.6463 99.1737 -206467.0653 18086.9117 0.0000 0.0000 34238.6597 -149341.5693 299.0147 -183580.2290 -149249.4600 299.6833 90.7462 125.1411 556440.1092 0.9992 1.1154 PRESSURE: 3426000 30.343 -59.3854 -59.9643 -59.3863 -13.2327 70.7899 -59.9642 70.789 222.459 GPRESSURE: 3426000 105.319 -78.1824 -46.9083 -20.1815 -13.9483 87.0188 -67.3111 30.8045 246.532 PRESSAVG: 3426000 4.05622 -52.1404 32.0273 -52.1404 1.13254 16.5811 32.0273 16.5811 17.8029 GPRESSAVG: 3426000 5.06939 -54.4988 30.3218 -49.2471 0.349081 16.3244 34.6737 16.6674 17.7125 TIMING: 3426000 CPU: 10198.8, 0.00296135/step Wall: 10198.8, 0.00296135/step, 1.29477 hours remaining, 208.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3426000 707.1107 2051.7060 1922.7013 110.3942 -206151.9915 17846.9199 0.0000 0.0000 34363.0602 -149150.0992 300.1012 -183513.1594 -149051.2820 299.1736 79.8565 112.6342 556398.1862 7.6639 7.7103 PRESSURE: 3426200 -130.777 -13.4296 180.101 -13.4295 -65.3107 -204.263 180.1 -204.263 219.63 GPRESSURE: 3426200 -60.8875 16.4751 214.013 -33.3105 -89.2679 -264.743 190.048 -167.899 271.887 PRESSAVG: 3426200 11.6609 -35.9735 69.3961 -35.9736 -79.1601 12.3963 69.396 12.3964 27.6795 GPRESSAVG: 3426200 9.66021 -35.4009 70.529 -36.7242 -78.5892 10.8131 68.9658 13.7337 29.159 TIMING: 3426200 CPU: 10199.4, 0.00291783/step Wall: 10199.4, 0.00291783/step, 1.27558 hours remaining, 208.085938 MB of memory in use. ENERGY: 3426200 742.0857 2093.7601 1941.5085 115.4829 -205923.2444 17743.6129 0.0000 0.0000 34239.1104 -149047.6837 299.0187 -183286.7942 -148951.6963 299.9031 7.8475 40.5772 557904.7153 -13.2732 -13.2567 PRESSURE: 3426400 -224.403 24.0604 -56.6117 24.0612 234.723 104.668 -56.6109 104.667 28.7077 GPRESSURE: 3426400 -181.188 37.8467 -67.2866 -48.1396 238.339 74.9422 -108.6 110.374 82.3717 PRESSAVG: 3426400 -22.1264 -33.7973 28.7994 -33.7973 25.8698 -3.95925 28.7994 -3.95916 19.4513 GPRESSAVG: 3426400 -22.8479 -33.6636 29.6161 -34.4259 25.7832 -3.56144 26.5371 -4.29628 19.8129 TIMING: 3426400 CPU: 10200, 0.00294363/step Wall: 10200, 0.00294363/step, 1.28669 hours remaining, 208.085938 MB of memory in use. ENERGY: 3426400 719.0139 2112.3816 1945.3801 109.6382 -206044.2902 17693.5591 0.0000 0.0000 34521.2382 -148943.0791 301.4826 -183464.3174 -148840.3647 300.4785 13.0094 46.5074 557304.5344 7.7316 7.5827 PRESSURE: 3426600 -91.5823 14.0739 192.666 14.075 -14.1703 87.6675 192.665 87.6664 -88.5059 GPRESSURE: 3426600 -130.875 54.3448 76.9577 19.5178 19.0732 122.136 252.141 24.8727 7.61372 PRESSAVG: 3426600 -15.4607 -52.6377 45.7417 -52.6377 -67.6488 13.3208 45.7417 13.3207 61.0221 GPRESSAVG: 3426600 -14.6635 -52.6534 45.7597 -53.7364 -67.834 11.7536 45.8589 12.3331 60.4592 TIMING: 3426600 CPU: 10200.6, 0.00295383/step Wall: 10200.6, 0.00295383/step, 1.29099 hours remaining, 208.085938 MB of memory in use. ENERGY: 3426600 753.0356 2078.4043 1936.2722 108.6242 -205914.0403 17773.5705 0.0000 0.0000 34298.6296 -148965.5040 299.5385 -183264.1336 -148868.2449 299.7598 -64.7528 -34.7295 558058.6094 -7.3625 -7.3461 PRESSURE: 3426800 -88.568 121.048 -80.1461 121.048 -64.6661 -96.9857 -80.1454 -96.9872 108.05 GPRESSURE: 3426800 -29.0109 155.65 -85.2023 95.9505 -30.6605 -67.4036 -44.9336 -116.732 96.7433 PRESSAVG: 3426800 -41.8008 25.973 -32.7636 25.973 9.0772 13.8049 -32.7635 13.8048 30.1941 GPRESSAVG: 3426800 -42.4096 25.447 -32.6442 27.1107 10.7073 16.0718 -32.0824 15.2058 28.7427 TIMING: 3426800 CPU: 10201.2, 0.00294579/step Wall: 10201.2, 0.00294579/step, 1.28731 hours remaining, 208.085938 MB of memory in use. ENERGY: 3426800 734.9993 2076.6564 1916.6025 103.9772 -205562.0860 17525.0779 0.0000 0.0000 34278.9080 -148925.8647 299.3662 -183204.7726 -148824.9977 299.6710 -15.0616 12.3573 557929.0663 -0.8432 -0.9865 PRESSURE: 3427000 8.62824 -25.2402 -52.8564 -25.2408 64.0618 -182.745 -52.8571 -182.746 -24.2456 GPRESSURE: 3427000 49.9352 -39.6021 -40.5759 -34.8083 98.6655 -128.268 -7.96639 -155.535 5.87582 PRESSAVG: 3427000 -37.95 -1.384 -10.3408 -1.38407 -32.6331 -86.6291 -10.3409 -86.629 20.0828 GPRESSAVG: 3427000 -38.1771 0.184994 -12.1209 -2.29763 -33.7342 -87.2223 -9.1995 -87.0969 21.7149 TIMING: 3427000 CPU: 10201.8, 0.00293047/step Wall: 10201.8, 0.00293047/step, 1.28045 hours remaining, 208.085938 MB of memory in use. ENERGY: 3427000 760.1921 2068.5117 1914.3347 109.6450 -206006.2079 17860.4200 0.0000 0.0000 34452.1420 -148840.9624 300.8791 -183293.1044 -148748.8558 300.2683 16.1481 51.4922 557526.7799 -16.8334 -16.7321 PRESSURE: 3427200 37.8789 -1.42291 -75.0935 -1.42406 -156.121 62.1111 -75.0927 62.1106 -39.8998 GPRESSURE: 3427200 70.7091 -57.6296 -98.1487 7.58911 -130.278 56.3572 16.0094 53.484 -0.0290484 PRESSAVG: 3427200 -8.33167 -19.5689 -6.95197 -19.569 -47.4011 29.6604 -6.95199 29.6604 25.0173 GPRESSAVG: 3427200 -7.04438 -19.4984 -7.96283 -20.4082 -47.1528 29.5478 -7.01256 30.4558 23.2519 TIMING: 3427200 CPU: 10202.4, 0.00293666/step Wall: 10202.4, 0.00293666/step, 1.28299 hours remaining, 208.085938 MB of memory in use. ENERGY: 3427200 760.0821 2052.7877 1953.2288 118.1383 -205679.9412 17618.0498 0.0000 0.0000 34325.3711 -148852.2834 299.7720 -183177.6545 -148750.7491 300.3364 -52.7141 -19.8660 557421.0884 -10.2385 -10.3151 PRESSURE: 3427400 -372.238 -54.9698 -151.46 -54.9704 -167.659 13.8132 -151.459 13.8115 -179.387 GPRESSURE: 3427400 -321.893 -72.5094 -147.28 -13.6465 -164.739 38.52 -102.925 12.0284 -140.169 PRESSAVG: 3427400 -10.3921 -27.5138 32.7344 -27.5138 -55.6322 47.54 32.7343 47.5399 78.9577 GPRESSAVG: 3427400 -10.3887 -26.688 34.6282 -27.2937 -56.4294 47.7644 32.6423 46.2303 79.6921 TIMING: 3427400 CPU: 10202.9, 0.00294118/step Wall: 10202.9, 0.00294118/step, 1.28481 hours remaining, 208.085938 MB of memory in use. ENERGY: 3427400 773.4226 2110.0888 1938.1597 109.9703 -205467.1463 17463.4351 0.0000 0.0000 34253.3506 -148818.7191 299.1430 -183072.0698 -148723.0925 299.8549 -239.7614 -208.9338 558520.8891 4.3111 4.2913 PRESSURE: 3427600 -154.174 -187.401 138.207 -187.401 6.86607 -104.544 138.206 -104.545 -231.981 GPRESSURE: 3427600 -79.4754 -124.847 95.7122 -99.5843 20.5753 -84.0417 144.341 -123.903 -224.996 PRESSAVG: 3427600 -35.2675 18.1136 21.8325 18.1136 -17.7352 15.625 21.8325 15.625 24.2286 GPRESSAVG: 3427600 -35.1634 16.623 23.9776 19.1858 -17.9717 14.6373 18.9689 15.822 23.1504 TIMING: 3427600 CPU: 10203.5, 0.00295595/step Wall: 10203.5, 0.00295595/step, 1.29109 hours remaining, 208.085938 MB of memory in use. ENERGY: 3427600 739.9527 2118.5927 1958.2874 101.6737 -205554.5364 17428.7942 0.0000 0.0000 34234.7384 -148972.4973 298.9805 -183207.2357 -148879.7037 300.5676 -126.4295 -94.6320 556955.1097 -9.5914 -9.9949 PRESSURE: 3427800 143.593 182.917 106.442 182.917 -152.391 70.8186 106.443 70.8191 211.098 GPRESSURE: 3427800 125.651 246.551 55.9662 44.5955 -61.3741 123.596 101.122 45.3397 235.746 PRESSAVG: 3427800 -28.9036 36.6582 52.0114 36.6582 28.9795 -19.7425 52.0115 -19.7426 -21.9186 GPRESSAVG: 3427800 -31.1964 37.2897 48.7725 36.2898 28.9468 -18.5616 53.1009 -17.8799 -20.2341 TIMING: 3427800 CPU: 10204.1, 0.00293246/step Wall: 10204.1, 0.00293246/step, 1.28067 hours remaining, 208.085938 MB of memory in use. ENERGY: 3427800 744.4913 2123.3310 1921.4060 112.1892 -206142.2394 17932.0204 0.0000 0.0000 34444.3209 -148864.4806 300.8108 -183308.8016 -148769.5574 300.6450 67.4334 100.0078 556679.4495 -7.2809 -7.4945 PRESSURE: 3428000 -252.09 -60.6625 248.235 -60.6623 -86.0926 -202.322 248.234 -202.322 -193.957 GPRESSURE: 3428000 -224.719 -97.9589 197.444 -93.0942 -37.4262 -194.233 298.751 -336.497 -182.974 PRESSAVG: 3428000 15.2929 -17.0938 -4.79673 -17.0938 -7.02999 -12.5626 -4.79672 -12.5625 -26.1309 GPRESSAVG: 3428000 15.9645 -18.0246 -6.70376 -17.7702 -7.4691 -14.9486 -3.93041 -11.482 -26.5135 TIMING: 3428000 CPU: 10204.7, 0.00294201/step Wall: 10204.7, 0.00294201/step, 1.28468 hours remaining, 208.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3428000 709.9051 2094.5745 1939.6088 110.6557 -205613.6765 17545.0587 0.0000 0.0000 34365.9558 -148847.9178 300.1264 -183213.8736 -148748.5372 300.7635 -177.3798 -148.3731 558491.2528 -5.9560 -6.0060 PRESSURE: 3428200 -314.256 -56.2336 -30.1781 -56.2338 -36.4743 224.057 -30.1791 224.056 -362.964 GPRESSURE: 3428200 -271.458 -67.0505 -22.3627 7.55779 -10.3925 221.944 -114.787 170.838 -351.287 PRESSAVG: 3428200 -41.6143 -18.7951 6.9064 -18.7951 11.5331 1.35756 6.90642 1.3576 38.9385 GPRESSAVG: 3428200 -40.3674 -19.3133 9.10451 -16.0158 11.7231 2.42412 6.03225 -0.677082 37.7484 TIMING: 3428200 CPU: 10205.3, 0.0029236/step Wall: 10205.3, 0.0029236/step, 1.27648 hours remaining, 208.085938 MB of memory in use. ENERGY: 3428200 747.0627 2093.7539 1925.0322 103.2853 -205458.5636 17304.1541 0.0000 0.0000 34261.4866 -149023.7887 299.2141 -183285.2753 -148917.9513 300.0078 -237.8982 -211.0459 557310.4324 2.9524 3.0347 LDB: ============= START OF LOAD BALANCING ============== 10208.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10208.8 LDB: =============== DONE WITH MIGRATION ================ 10208.8 LDB: ============= START OF LOAD BALANCING ============== 10209.1 LDB: Largest compute 4772 load 0.026357 is 22.3% of average load 0.118293 LDB: Average compute 0.001713 is 1.4% of average load 0.118293 LDB: TIME 10209.1 LOAD: AVG 0.118293 MAX 0.197727 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.031 MB LDB: TIME 10209.1 LOAD: AVG 0.118293 MAX 0.197727 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.031 MB LDB: TIME 10209.1 LOAD: AVG 0.118293 MAX 0.197727 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.031 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10209.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10209.1 PRESSURE: 3428400 -180.151 83.2951 -68.2973 83.2958 -36.744 -98.8035 -68.2968 -98.8055 -280.561 GPRESSURE: 3428400 -188.52 3.34793 -90.9843 139.221 57.1436 -79.2081 -28.1208 -87.1318 -269.564 PRESSAVG: 3428400 -16.9758 40.3803 -38.8041 40.3802 71.3652 9.37565 -38.8042 9.37563 -53.3581 GPRESSAVG: 3428400 -18.4878 39.2292 -39.0916 39.9483 70.4031 10.1811 -38.7258 10.2175 -50.7884 TIMING: 3428400 CPU: 10205.9, 0.00300611/step Wall: 10205.9, 0.00300611/step, 1.31233 hours remaining, 208.335938 MB of memory in use. ENERGY: 3428400 736.5420 2149.2786 1925.7947 97.3535 -205863.8451 17510.2160 0.0000 0.0000 34489.9372 -148954.7231 301.2092 -183444.6603 -148851.2217 300.5311 -165.8188 -133.6469 557678.9675 0.3438 0.3756 PRESSURE: 3428600 -171.125 6.37818 6.06999 6.37838 -92.1662 -121.348 6.07081 -121.349 132.843 GPRESSURE: 3428600 -107.836 27.8834 -70.3668 -34.1039 -69.5564 -161.431 43.5717 -99.7738 144.653 PRESSAVG: 3428600 -0.854489 9.96219 -18.1315 9.96213 -4.37147 -64.1486 -18.1315 -64.1487 34.9805 GPRESSAVG: 3428600 0.655134 12.3887 -17.7112 9.77713 -4.14751 -64.0798 -17.4414 -65.7826 33.4154 TIMING: 3428600 CPU: 10206.5, 0.00295652/step Wall: 10206.5, 0.00295652/step, 1.29052 hours remaining, 208.539062 MB of memory in use. ENERGY: 3428600 734.7975 2110.2342 1902.9165 119.0568 -205899.2231 17706.0034 0.0000 0.0000 34343.8752 -148982.3394 299.9336 -183326.2146 -148893.4689 299.9763 -43.4825 -10.9130 557647.1363 9.9182 9.9744 PRESSURE: 3428800 -126.782 -49.2075 -75.4231 -49.2073 -267.823 -91.5493 -75.4234 -91.5489 -161.465 GPRESSURE: 3428800 -134.815 -41.2787 -103.155 17.3316 -239.953 -49.1492 -119.889 -67.1347 -92.2102 PRESSAVG: 3428800 0.891619 90.5888 0.018454 90.5889 -39.8153 -44.0083 0.0184876 -44.0083 -27.4637 GPRESSAVG: 3428800 0.00337509 87.8698 -1.2343 91.0561 -39.2989 -42.8672 1.86046 -42.8929 -26.9414 TIMING: 3428800 CPU: 10207.1, 0.00293669/step Wall: 10207.1, 0.00293669/step, 1.2817 hours remaining, 208.539062 MB of memory in use. ENERGY: 3428800 732.9394 2099.2309 1941.6124 103.9424 -205544.5308 17490.5473 0.0000 0.0000 34257.8566 -148918.4017 299.1824 -183176.2583 -148822.0176 300.0279 -185.3570 -155.6594 558739.8126 -22.1291 -22.0790 PRESSURE: 3429000 160.106 -126.7 -9.80485 -126.698 352.534 114.792 -9.80452 114.792 95.9659 GPRESSURE: 3429000 194.868 -61.188 39.6985 -149.888 390.102 61.4984 45.7349 106.41 121.413 PRESSAVG: 3429000 0.152059 55.6345 32.0016 55.6344 -30.2345 5.19121 32.0016 5.19137 56.2938 GPRESSAVG: 3429000 0.636903 56.976 33.6159 53.4342 -30.2031 4.50722 31.3209 6.9619 56.0868 TIMING: 3429000 CPU: 10207.7, 0.00293147/step Wall: 10207.7, 0.00293147/step, 1.27926 hours remaining, 208.539062 MB of memory in use. ENERGY: 3429000 759.6138 2123.3511 1947.6724 116.2996 -206452.3058 18172.5211 0.0000 0.0000 34394.6859 -148938.1618 300.3773 -183332.8477 -148844.1479 300.1110 202.8687 235.4611 558359.7169 8.7371 8.8402 PRESSURE: 3429200 -100.399 3.90402 34.1133 3.90481 -198.206 46.7661 34.1131 46.7662 69.0233 GPRESSURE: 3429200 -115.103 -33.1925 -26.8102 37.0755 -102.354 -58.9113 23.4691 112.141 80.535 PRESSAVG: 3429200 -34.2156 -24.0605 -19.8399 -24.0604 91.3698 9.33146 -19.8399 9.33152 -22.7486 GPRESSAVG: 3429200 -35.2679 -22.4971 -19.635 -24.3027 90.7944 8.94436 -21.1634 8.66522 -21.6063 TIMING: 3429200 CPU: 10208.3, 0.00295189/step Wall: 10208.3, 0.00295189/step, 1.28801 hours remaining, 208.539062 MB of memory in use. ENERGY: 3429200 765.4492 2158.7824 1938.0808 118.1688 -206074.8160 17783.8579 0.0000 0.0000 34295.2132 -149015.2636 299.5086 -183310.4768 -148920.4901 300.1065 -76.5274 -45.6407 556688.6026 11.4685 11.3067 PRESSURE: 3429400 139.647 10.3259 -15.3242 10.3238 -196.091 45.5343 -15.3248 45.5343 311.092 GPRESSURE: 3429400 154.973 -8.26108 38.9538 71.9465 -127.461 131.669 -88.3685 9.65183 318.402 PRESSAVG: 3429400 -8.6307 13.2342 31.7415 13.2341 -15.0153 21.3035 31.7415 21.3036 29.0037 GPRESSAVG: 3429400 -7.98204 12.393 31.8179 15.4829 -15.9397 22.8595 30.9485 18.861 29.3293 TIMING: 3429400 CPU: 10208.8, 0.00294583/step Wall: 10208.8, 0.00294583/step, 1.2852 hours remaining, 208.539062 MB of memory in use. ENERGY: 3429400 737.3986 2121.1624 1937.5309 118.4736 -206192.1727 17903.6863 0.0000 0.0000 34402.7097 -148971.2112 300.4474 -183373.9209 -148869.8411 300.5085 84.8827 115.3049 556455.4849 1.7859 1.8025 PRESSURE: 3429600 123.006 -8.70018 202.51 -8.69927 112.078 146.161 202.51 146.16 84.0171 GPRESSURE: 3429600 191.512 26.0946 193.126 42.2566 172.382 112.254 142.192 86.3347 61.794 PRESSAVG: 3429600 -19.5627 7.39625 107.329 7.39616 48.4783 29.1729 107.329 29.1729 -8.03367 GPRESSAVG: 3429600 -18.3192 6.74 107.245 8.36135 48.5842 28.0716 109.489 30.757 -9.96296 TIMING: 3429600 CPU: 10209.4, 0.00295002/step Wall: 10209.4, 0.00295002/step, 1.28686 hours remaining, 208.539062 MB of memory in use. ENERGY: 3429600 725.6061 2080.1551 1964.5163 103.9858 -206040.5910 17830.5380 0.0000 0.0000 34453.1749 -148882.6147 300.8881 -183335.7897 -148779.6037 300.2878 106.3669 141.8959 556688.5455 6.9606 6.7674 PRESSURE: 3429800 72.0695 71.9829 83.867 71.9829 -75.2097 68.3042 83.8675 68.304 -17.1228 GPRESSURE: 3429800 174.39 -19.4344 0.577551 77.3386 -103.255 134.556 196.343 32.1923 6.72106 PRESSAVG: 3429800 16.5899 8.32637 58.8537 8.32645 0.411443 6.59481 58.8537 6.59482 -9.59539 GPRESSAVG: 3429800 15.7446 8.66194 59.3898 6.29781 0.468871 7.7292 57.4398 6.25373 -8.51256 TIMING: 3429800 CPU: 10210, 0.00294085/step Wall: 10210, 0.00294085/step, 1.2827 hours remaining, 208.539062 MB of memory in use. ENERGY: 3429800 748.8933 2065.6398 1928.6689 109.6939 -206184.6487 17801.8658 0.0000 0.0000 34422.6031 -149107.2839 300.6212 -183529.8871 -149014.6662 300.4964 -6.7543 25.9522 557448.7942 2.4687 2.5670 PRESSURE: 3430000 6.59815 93.2242 10.5643 93.2242 -134.902 -87.3193 10.5648 -87.3191 -34.3417 GPRESSURE: 3430000 35.4916 58.4089 -4.17632 97.6242 -123.621 -91.0072 -11.7628 -45.6103 11.7595 PRESSAVG: 3430000 -7.39555 -15.0998 -25.9199 -15.0998 8.89288 -18.7686 -25.9199 -18.7686 25.8528 GPRESSAVG: 3430000 -6.62847 -16.0277 -26.5653 -14.1575 8.45936 -20.9548 -25.1526 -17.4837 25.764 TIMING: 3430000 CPU: 10210.6, 0.00291316/step Wall: 10210.6, 0.00291316/step, 1.27046 hours remaining, 208.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3430000 748.9876 2091.9276 1938.0948 104.6343 -205773.5932 17791.3152 0.0000 0.0000 34043.6512 -149054.9825 297.3117 -183098.6337 -148960.6601 299.7661 -54.2154 -25.4568 559006.7946 9.1167 9.1983 PRESSURE: 3430200 -88.649 -137.14 -211.826 -137.138 -196.416 -43.7197 -211.827 -43.721 -166.138 GPRESSURE: 3430200 -96.3136 -96.2566 -230.058 -52.9159 -174.362 -36.5011 -163.136 -18.6845 -83.7484 PRESSAVG: 3430200 20.2394 -28.8356 -44.8204 -28.8356 -47.8045 -33.5728 -44.8204 -33.5728 64.1248 GPRESSAVG: 3430200 20.0722 -26.9 -46.2002 -30.0667 -47.5691 -33.2359 -43.2123 -34.5451 63.643 TIMING: 3430200 CPU: 10211.2, 0.00294397/step Wall: 10211.2, 0.00294397/step, 1.28374 hours remaining, 208.539062 MB of memory in use. ENERGY: 3430200 764.3646 2075.1099 1939.7733 112.4867 -206368.5319 17846.7546 0.0000 0.0000 34464.4490 -149165.5938 300.9866 -183630.0428 -149068.1218 299.5728 -150.4010 -118.1413 560324.7303 12.1866 12.0487 PRESSURE: 3430400 -96.6072 143.387 -52.9386 143.387 -21.2268 -42.1878 -52.9388 -42.1892 28.1162 GPRESSURE: 3430400 -104.891 213.799 -95.8765 79.0313 34.2123 -68.3655 -25.3024 10.449 83.8688 PRESSAVG: 3430400 11.2351 -39.0557 0.690837 -39.0557 -4.1196 -13.0122 0.690826 -13.0123 3.78868 GPRESSAVG: 3430400 11.1389 -40.8479 1.01018 -36.1939 -4.13213 -12.7181 -0.0281703 -14.5393 4.05518 TIMING: 3430400 CPU: 10211.8, 0.0029378/step Wall: 10211.8, 0.0029378/step, 1.28088 hours remaining, 208.539062 MB of memory in use. ENERGY: 3430400 749.8019 2082.5859 1919.5405 119.1445 -206125.3473 17839.1519 0.0000 0.0000 34165.4148 -149249.7077 298.3751 -183415.1226 -149164.8904 299.2937 -29.9060 4.3966 559718.0848 3.6347 3.6873 PRESSURE: 3430600 -183.083 -37.8962 -5.45233 -37.8957 -147.389 59.7132 -5.45321 59.7149 -320.98 GPRESSURE: 3430600 -170.47 -13.072 -15.8844 -160.366 -102.731 -33.667 -83.6017 35.1216 -262.264 PRESSAVG: 3430600 18.4899 -42.6995 -14.4024 -42.6994 12.1656 -30.8736 -14.4025 -30.8736 -7.58609 GPRESSAVG: 3430600 17.7784 -44.3847 -14.072 -44.1064 11.9705 -32.3512 -13.8342 -28.8053 -6.50394 TIMING: 3430600 CPU: 10212.4, 0.00294744/step Wall: 10212.4, 0.00294744/step, 1.28492 hours remaining, 208.539062 MB of memory in use. ENERGY: 3430600 763.0932 2050.4137 1933.2312 106.3772 -205948.0752 17701.9777 0.0000 0.0000 34116.1423 -149276.8400 297.9448 -183392.9823 -149173.1148 299.8951 -217.1505 -178.4881 557953.7495 7.6898 7.7483 PRESSURE: 3430800 -469.325 -141.57 -66.528 -141.57 -307.477 -12.2531 -66.5278 -12.2549 -100.73 GPRESSURE: 3430800 -366.044 -55.5161 -78.9699 -160.509 -293.194 -102.013 -61.971 17.0563 -110.066 PRESSAVG: 3430800 29.8395 -38.2396 -71.2616 -38.2397 -45.9438 -36.1875 -71.2615 -36.1876 -0.844991 GPRESSAVG: 3430800 30.2626 -36.956 -69.4765 -36.7487 -45.2345 -36.2706 -72.4035 -35.9067 -1.47592 TIMING: 3430800 CPU: 10213, 0.00294977/step Wall: 10213, 0.00294977/step, 1.28577 hours remaining, 208.539062 MB of memory in use. ENERGY: 3430800 763.4086 2054.8994 1911.8774 111.9539 -205392.3224 17271.3780 0.0000 0.0000 34120.7718 -149158.0333 297.9852 -183278.8051 -149057.6893 299.5591 -292.5105 -256.4349 558275.1362 -5.6498 -5.4826 PRESSURE: 3431000 -17.0755 81.1342 -67.466 81.1327 214.678 31.8851 -67.4654 31.8837 -100.141 GPRESSURE: 3431000 42.2928 97.2552 -43.8498 61.6394 228.328 8.09291 -20.1225 -0.691769 -76.4873 PRESSAVG: 3431000 4.13336 18.054 -11.6618 18.0539 19.7473 -14.8367 -11.6618 -14.8367 11.9833 GPRESSAVG: 3431000 4.52148 17.9043 -12.2112 15.1211 19.4719 -15.904 -11.8613 -15.0065 12.0462 TIMING: 3431000 CPU: 10213.5, 0.00293192/step Wall: 10213.5, 0.00293192/step, 1.27783 hours remaining, 208.539062 MB of memory in use. ENERGY: 3431000 705.1270 2056.7191 1906.2260 106.9135 -206213.2445 17864.8926 0.0000 0.0000 34054.8539 -149518.5123 297.4095 -183573.3662 -149426.8320 299.0289 32.4872 64.7112 557290.1849 11.9546 12.0132 PRESSURE: 3431200 -55.5396 79.6152 149.406 79.6151 -42.497 -148.221 149.406 -148.221 116.984 GPRESSURE: 3431200 -32.4993 65.2339 157.364 -12.7636 -22.0317 -54.3129 168.472 -192.11 162.384 PRESSAVG: 3431200 -40.4409 48.3379 -3.70395 48.338 6.45444 -9.61286 -3.70393 -9.61294 37.8083 GPRESSAVG: 3431200 -39.9816 49.0551 -5.97376 50.1634 5.68317 -7.56007 -4.11994 -8.70013 38.0205 TIMING: 3431200 CPU: 10214.1, 0.00295396/step Wall: 10214.1, 0.00295396/step, 1.28727 hours remaining, 208.539062 MB of memory in use. ENERGY: 3431200 742.6187 2018.6753 1935.8889 114.4819 -206452.9510 17744.3319 0.0000 0.0000 34401.2806 -149495.6737 300.4349 -183896.9543 -149390.6046 298.3269 6.3159 35.9512 555368.5066 1.2739 1.2407 PRESSURE: 3431400 -4.80544 -199.915 -111.481 -199.915 36.1585 91.7108 -111.481 91.7097 114.793 GPRESSURE: 3431400 52.8255 -250.038 -4.45467 -176.362 44.107 47.6696 -54.8367 77.7274 138.01 PRESSAVG: 3431400 -54.8211 18.196 -25.0242 18.196 -63.8581 -3.47125 -25.0241 -3.47127 65.965 GPRESSAVG: 3431400 -54.9275 18.5609 -25.3901 18.9089 -64.6395 -4.71987 -21.914 -3.27686 66.5234 TIMING: 3431400 CPU: 10214.7, 0.00294805/step Wall: 10214.7, 0.00294805/step, 1.28453 hours remaining, 208.539062 MB of memory in use. ENERGY: 3431400 751.1590 2039.8733 1921.4790 103.9501 -206183.3753 17804.4925 0.0000 0.0000 34196.7069 -149365.7145 298.6483 -183562.4213 -149266.3085 298.6041 48.7154 78.3142 557464.4703 -17.5714 -17.6812 PRESSURE: 3431600 80.5222 -58.1117 4.21653 -58.112 83.2106 -59.8078 4.21585 -59.808 132.202 GPRESSURE: 3431600 103.414 -125.861 -62.2368 -35.4829 100.526 -99.7935 -19.6221 -135.098 194.588 PRESSAVG: 3431600 -1.46231 10.1724 20.2791 10.1724 -2.2381 22.8426 20.279 22.8427 47.274 GPRESSAVG: 3431600 -2.81175 8.45994 22.1472 9.5688 -1.23973 25.0429 18.2565 20.5765 47.2686 TIMING: 3431600 CPU: 10215.3, 0.00292958/step Wall: 10215.3, 0.00292958/step, 1.27632 hours remaining, 208.539062 MB of memory in use. ENERGY: 3431600 740.4492 2060.2975 1906.0968 112.8295 -206481.5693 17893.4482 0.0000 0.0000 34306.3076 -149462.1403 299.6055 -183768.4480 -149373.2735 298.7243 98.6449 132.8426 556527.7011 14.5245 14.4057 PRESSURE: 3431800 -127.591 67.0889 -17.5439 67.0897 -111.947 -56.5384 -17.5438 -56.538 -386.357 GPRESSURE: 3431800 -141.46 -36.0152 107.606 103.574 -47.8191 -42.0954 9.60689 66.1258 -335.476 PRESSAVG: 3431800 32.3586 20.8603 -42.7066 20.8604 -31.7217 13.1234 -42.7067 13.1233 29.3519 GPRESSAVG: 3431800 32.8062 22.2124 -42.8702 20.2649 -32.014 11.1657 -43.8609 13.9312 29.1975 TIMING: 3431800 CPU: 10215.9, 0.00293654/step Wall: 10215.9, 0.00293654/step, 1.27919 hours remaining, 208.539062 MB of memory in use. ENERGY: 3431800 742.8180 2078.7756 1939.8251 122.9811 -206201.7304 17633.6892 0.0000 0.0000 34203.6355 -149480.0060 298.7089 -183683.6415 -149385.7018 298.9962 -208.6317 -174.9182 556065.0592 9.9962 9.9966 PRESSURE: 3432000 220.139 62.5708 -91.8468 62.5711 -72.0567 -24.0369 -91.8455 -24.0359 173.844 GPRESSURE: 3432000 253.707 46.1568 -100.344 57.6652 37.9951 1.95119 -79.874 12.551 133.528 PRESSAVG: 3432000 -88.7828 23.7768 41.9321 23.7768 51.1658 -23.4621 41.9321 -23.4621 14.0727 GPRESSAVG: 3432000 -87.4927 23.9216 40.2461 26.35 51.2942 -21.228 43.3627 -23.5118 12.9847 TIMING: 3432000 CPU: 10216.5, 0.0029499/step Wall: 10216.5, 0.0029499/step, 1.28485 hours remaining, 208.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3432000 758.2093 2109.6481 1954.0009 119.4392 -206596.3767 18036.3556 0.0000 0.0000 34144.2001 -149474.5235 298.1898 -183618.7236 -149382.0325 297.6884 107.3086 141.7433 554502.2549 -7.8481 -7.7379 PRESSURE: 3432200 -43.3678 10.8234 0.281424 10.8228 -293.355 77.5444 0.282994 77.5457 127.672 GPRESSURE: 3432200 -14.7772 107.257 34.0292 -57.8639 -297.916 133.532 -53.9967 75.1644 194.851 PRESSAVG: 3432200 2.694 34.5282 27.1842 34.5283 -69.2881 24.6529 27.1841 24.6529 44.0029 GPRESSAVG: 3432200 2.47499 34.8069 27.5022 34.3863 -68.921 22.7533 27.3182 24.5139 44.0659 TIMING: 3432200 CPU: 10217.1, 0.00293458/step Wall: 10217.1, 0.00293458/step, 1.27801 hours remaining, 208.539062 MB of memory in use. ENERGY: 3432200 705.2972 2075.9659 1926.0213 109.9683 -205954.6480 17617.8173 0.0000 0.0000 34291.5226 -149228.0555 299.4764 -183519.5781 -149135.1051 299.1070 -69.6834 -39.2806 556273.3712 -7.5304 -7.4600 LDB: ============= START OF LOAD BALANCING ============== 10220.6 LDB: ============== END OF LOAD BALANCING =============== 10220.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10220.6 LDB: ============= START OF LOAD BALANCING ============== 10220.9 LDB: Largest compute 4772 load 0.025221 is 21.3% of average load 0.118284 LDB: Average compute 0.001712 is 1.4% of average load 0.118284 LDB: TIME 10220.9 LOAD: AVG 0.118284 MAX 0.196484 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.344 MB LDB: TIME 10220.9 LOAD: AVG 0.118284 MAX 0.196484 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.344 MB LDB: TIME 10220.9 LOAD: AVG 0.118284 MAX 0.196484 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.344 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10220.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10220.9 PRESSURE: 3432400 -214.54 -8.94393 183.923 -8.9441 -126.848 22.5305 183.922 22.5296 9.12296 GPRESSURE: 3432400 -192.415 -30.4345 121.544 -147.84 -57.1737 85.1291 251.795 -69.9569 8.28481 PRESSAVG: 3432400 0.333 -27.419 19.6627 -27.419 -29.5178 26.323 19.6626 26.323 31.2026 GPRESSAVG: 3432400 -0.697008 -27.6239 20.7536 -29.4974 -28.9736 27.7 19.4812 25.6964 30.809 TIMING: 3432400 CPU: 10217.7, 0.00300573/step Wall: 10217.7, 0.00300573/step, 1.30883 hours remaining, 207.375000 MB of memory in use. ENERGY: 3432400 762.2777 2030.2766 1936.9688 109.8428 -205752.0563 17516.9839 0.0000 0.0000 34139.9822 -149255.7243 298.1530 -183395.7064 -149160.1360 299.7099 -110.7552 -80.4347 557770.1419 0.6726 0.3795 PRESSURE: 3432600 116.468 -170.352 -158.461 -170.351 -185.671 -15.01 -158.461 -15.0101 -138.026 GPRESSURE: 3432600 177.806 -110.739 -194.649 -134.753 -157.312 17.5363 -99.4367 -90.8489 -124.06 PRESSAVG: 3432600 60.4099 17.9711 25.9444 17.971 -5.54535 -38.1628 25.9445 -38.1628 5.4817 GPRESSAVG: 3432600 60.7876 16.1139 27.2319 18.0615 -6.39632 -39.5121 26.5386 -36.101 5.77317 TIMING: 3432600 CPU: 10218.3, 0.00292775/step Wall: 10218.3, 0.00292775/step, 1.27471 hours remaining, 207.375000 MB of memory in use. ENERGY: 3432600 742.9438 2050.9776 1931.0170 105.0430 -205954.3181 17577.0126 0.0000 0.0000 34355.4663 -149191.8576 300.0348 -183547.3240 -149095.2538 299.6315 -69.0765 -34.5220 557563.2823 20.1154 20.0548 PRESSURE: 3432800 -147.862 115.745 -131.646 115.745 -208.173 97.8088 -131.645 97.808 -177.251 GPRESSURE: 3432800 -95.0748 94.6754 -110.188 137.249 -217.359 75.9711 -201.873 191.188 -123.791 PRESSAVG: 3432800 7.81104 4.98029 -1.80094 4.98025 -38.2318 14.7766 -1.80097 14.7766 58.2527 GPRESSAVG: 3432800 6.74592 4.5781 -3.99361 5.80423 -37.9421 14.8213 -2.86439 14.026 59.046 TIMING: 3432800 CPU: 10218.8, 0.00290828/step Wall: 10218.8, 0.00290828/step, 1.26607 hours remaining, 207.375000 MB of memory in use. ENERGY: 3432800 755.4370 2073.8458 1941.4106 109.1076 -205979.0200 17524.0020 0.0000 0.0000 34303.5168 -149271.7001 299.5811 -183575.2169 -149170.1304 299.3911 -177.7620 -145.4084 558404.7679 9.2773 9.2833 PRESSURE: 3433000 45.0778 121.736 -9.05447 121.737 -62.9501 -179.467 -9.05413 -179.467 -62.8092 GPRESSURE: 3433000 92.4554 57.7188 60.6601 217.369 -50.4418 -197.666 -52.7442 -78.6527 -35.0797 PRESSAVG: 3433000 38.6901 46.092 27.4341 46.092 -87.3861 -27.7398 27.4341 -27.7398 31.2533 GPRESSAVG: 3433000 39.1415 47.2593 28.5188 46.7307 -87.3162 -27.7642 29.633 -26.6655 30.2803 TIMING: 3433000 CPU: 10219.4, 0.00292267/step Wall: 10219.4, 0.00292267/step, 1.27217 hours remaining, 207.375000 MB of memory in use. ENERGY: 3433000 677.7970 2109.3707 1937.5376 113.4576 -206256.3730 17771.7627 0.0000 0.0000 34337.7437 -149308.7036 299.8801 -183646.4473 -149219.1478 299.8474 -26.8938 2.3113 558443.5915 -5.8142 -5.9648 PRESSURE: 3433200 237.952 81.6535 -3.51544 81.6535 86.302 -3.62189 -3.51692 -3.62024 65.6098 GPRESSURE: 3433200 270.689 30.2515 47.1694 119.965 160.442 -21.6082 44.3387 -25.6161 56.7716 PRESSAVG: 3433200 7.45457 66.9308 57.8784 66.9308 48.8999 -52.8286 57.8784 -52.8286 -57.4416 GPRESSAVG: 3433200 8.93512 66.4629 56.7172 65.3107 47.7634 -50.2903 56.585 -54.6718 -57.5091 TIMING: 3433200 CPU: 10220, 0.00293061/step Wall: 10220, 0.00293061/step, 1.27547 hours remaining, 207.375000 MB of memory in use. ENERGY: 3433200 708.4618 2195.4433 1940.3582 125.7909 -206298.3562 17853.1483 0.0000 0.0000 34411.8822 -149063.2716 300.5275 -183475.1538 -148959.0012 299.6526 129.9546 162.6339 557353.5917 -0.3624 -0.2702 PRESSURE: 3433400 49.5565 -9.12186 -66.029 -9.12289 200.759 -78.1609 -66.0293 -78.1599 -127.623 GPRESSURE: 3433400 22.0591 -27.0582 -25.2499 -19.6012 293.056 -139.455 -134.87 -59.6064 -88.8318 PRESSAVG: 3433400 -17.2806 49.3133 11.9672 49.3132 67.3958 -38.5427 11.9672 -38.5426 -18.2725 GPRESSAVG: 3433400 -20.0884 51.7997 13.2111 47.7779 69.3315 -39.2417 11.8487 -38.607 -17.9967 TIMING: 3433400 CPU: 10220.6, 0.00293188/step Wall: 10220.6, 0.00293188/step, 1.27586 hours remaining, 207.375000 MB of memory in use. ENERGY: 3433400 756.6588 2084.6985 1951.0835 119.3729 -206120.3335 17872.5457 0.0000 0.0000 34209.1546 -149126.8195 298.7571 -183335.9741 -149034.8888 299.4504 40.8975 75.4276 559244.4788 10.6142 10.4155 PRESSURE: 3433600 65.1739 4.51134 2.03385 4.51033 -214.755 86.6618 2.03524 86.6611 -285.181 GPRESSURE: 3433600 83.165 -27.3707 -3.40896 77.4785 -111.752 40.1328 -88.0678 52.2941 -301.606 PRESSAVG: 3433600 35.3497 31.5497 -15.4892 31.5496 -18.3885 7.84313 -15.4892 7.84304 -22.3356 GPRESSAVG: 3433600 35.7363 30.1015 -15.2014 33.8521 -20.0184 7.39311 -16.7672 8.10799 -21.6638 TIMING: 3433600 CPU: 10221.2, 0.00293228/step Wall: 10221.2, 0.00293228/step, 1.27587 hours remaining, 207.375000 MB of memory in use. ENERGY: 3433600 735.7344 2114.5772 1907.4585 120.0781 -206364.8832 17701.4648 0.0000 0.0000 34319.8130 -149465.7572 299.7235 -183785.5702 -149372.3236 298.9204 -144.9207 -110.0645 557299.4030 -1.7915 -1.9820 PRESSURE: 3433800 22.0322 66.8515 -47.7935 66.8519 25.5264 -7.93606 -47.7933 -7.9351 92.7664 GPRESSURE: 3433800 38.4126 -22.492 -15.4936 79.3404 112.363 47.7796 32.6461 -19.4057 88.8545 PRESSAVG: 3433800 73.5596 11.0485 10.9943 11.0485 -73.713 -6.46938 10.9943 -6.46952 11.6816 GPRESSAVG: 3433800 73.5008 11.3179 11.8923 10.4399 -72.7613 -4.34085 10.7087 -5.7224 10.2757 TIMING: 3433800 CPU: 10221.8, 0.00293715/step Wall: 10221.8, 0.00293715/step, 1.27783 hours remaining, 207.375000 MB of memory in use. ENERGY: 3433800 773.2519 2033.2912 1932.7653 98.7087 -206344.0571 17823.6199 0.0000 0.0000 34345.2106 -149337.2094 299.9453 -183682.4200 -149246.0886 298.5200 46.7750 79.8768 555289.3204 3.8427 3.6717 PRESSURE: 3434000 -132.619 -125.208 -89.6471 -125.207 -23.1789 -107.162 -89.6467 -107.163 -195.517 GPRESSURE: 3434000 -126.039 -86.5274 -41.6543 -133.982 14.7286 -169.799 -47.0341 -105.437 -151.803 PRESSAVG: 3434000 -7.41554 -0.142266 31.346 -0.142288 59.9301 -28.8979 31.3461 -28.8979 -36.0237 GPRESSAVG: 3434000 -6.1751 -2.05595 31.753 -0.230281 58.3003 -31.6775 32.5316 -29.593 -35.9323 TIMING: 3434000 CPU: 10222.4, 0.00294772/step Wall: 10222.4, 0.00294772/step, 1.28226 hours remaining, 207.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3434000 763.8282 2112.8192 1933.8080 125.3750 -205866.0252 17503.8283 0.0000 0.0000 34301.3712 -149124.9952 299.5624 -183426.3664 -149025.5131 300.1468 -117.1049 -87.7044 555999.4198 5.4970 5.3976 PRESSURE: 3434200 54.3592 -86.1265 -74.6178 -86.1273 -144.638 -37.8965 -74.6178 -37.8966 239.816 GPRESSURE: 3434200 70.7001 -11.2771 23.8484 -224.956 -101.765 42.8795 -148.547 -59.3821 267.461 PRESSAVG: 3434200 33.8379 -30.4034 -20.8699 -30.4035 -78.6119 -25.4895 -20.8699 -25.4895 50.9787 GPRESSAVG: 3434200 33.1218 -30.1635 -22.8149 -31.1757 -77.9952 -22.9828 -21.6554 -26.7485 51.6094 TIMING: 3434200 CPU: 10223, 0.00294995/step Wall: 10223, 0.00294995/step, 1.28306 hours remaining, 207.375000 MB of memory in use. ENERGY: 3434200 735.4562 2101.0459 1908.1670 119.7853 -206047.4293 17734.1640 0.0000 0.0000 34384.9667 -149063.8443 300.2925 -183448.8110 -148964.6129 298.8457 49.8456 78.7985 556483.2971 2.0682 2.2453 PRESSURE: 3434400 -51.0154 -81.0269 -127.297 -81.0269 -63.1405 2.33537 -127.299 2.33515 220.24 GPRESSURE: 3434400 -68.3335 -133.189 -22.7276 -99.6685 -28.5102 16.6465 -211.13 57.5372 306.26 PRESSAVG: 3434400 -19.9649 -48.7848 -27.4522 -48.7849 69.5325 46.8056 -27.4522 46.8056 -47.67 GPRESSAVG: 3434400 -18.6858 -48.8651 -27.3039 -47.5497 69.0304 43.6063 -28.253 50.0635 -48.1217 TIMING: 3434400 CPU: 10223.5, 0.00296226/step Wall: 10223.5, 0.00296226/step, 1.28826 hours remaining, 207.375000 MB of memory in use. ENERGY: 3434400 736.0508 2133.1987 1924.2664 115.8675 -206207.0161 17829.2109 0.0000 0.0000 34380.3082 -149088.1137 300.2518 -183468.4219 -148995.3396 300.0344 35.3613 69.8055 557593.0691 0.6325 0.7410 PRESSURE: 3434600 52.3543 -66.7207 -59.8968 -66.721 32.368 88.1717 -59.8962 88.1725 226.915 GPRESSURE: 3434600 104.217 -100.949 -166.012 7.73761 71.819 81.826 -81.8999 36.3581 237.811 PRESSAVG: 3434600 -49.6955 -15.4594 -75.411 -15.4594 -4.54302 -2.50822 -75.411 -2.50823 24.9465 GPRESSAVG: 3434600 -50.3527 -15.6852 -75.4742 -14.0777 -4.14182 -0.908029 -73.8552 -2.7968 25.3415 TIMING: 3434600 CPU: 10224.1, 0.00296085/step Wall: 10224.1, 0.00296085/step, 1.28748 hours remaining, 207.375000 MB of memory in use. ENERGY: 3434600 744.3309 2004.5098 1925.6079 100.0745 -206142.5887 17967.5897 0.0000 0.0000 34346.3655 -149054.1103 299.9554 -183400.4758 -148959.5017 299.3288 103.8791 137.9489 557746.0849 -9.7640 -9.7177 PRESSURE: 3434800 79.5257 -138.823 -137.707 -138.823 247.092 -132.847 -137.707 -132.847 76.9182 GPRESSURE: 3434800 83.4412 -163.588 -171.501 -128.992 256.185 -117.46 -90.5157 -164.51 156.486 PRESSAVG: 3434800 39.9557 17.0103 -58.431 17.0104 -57.6625 -35.7448 -58.4311 -35.7448 25.9945 GPRESSAVG: 3434800 39.8145 18.0806 -57.4157 15.1781 -56.9408 -36.8288 -59.1828 -37.9764 25.2503 TIMING: 3434800 CPU: 10224.7, 0.00293165/step Wall: 10224.7, 0.00293165/step, 1.27461 hours remaining, 207.375000 MB of memory in use. ENERGY: 3434800 728.4073 2069.2732 1915.0582 108.9546 -206289.2177 17956.1737 0.0000 0.0000 34373.3119 -149138.0389 300.1907 -183511.3507 -149044.1370 299.4676 134.5119 165.3707 556192.9662 2.7626 2.7080 PRESSURE: 3435000 -243.809 -235.572 90.2996 -235.572 -257.876 -188.388 90.2995 -188.386 -11.5623 GPRESSURE: 3435000 -187.341 -185.208 122.419 -244.434 -227.046 -232.547 116.788 -175.397 0.287866 PRESSAVG: 3435000 -17.0029 -11.876 -49.8816 -11.876 -47.7718 10.9642 -49.8816 10.9641 52.0846 GPRESSAVG: 3435000 -16.0733 -11.2465 -51.6464 -11.9989 -47.2833 10.8771 -49.1736 12.0012 50.8912 TIMING: 3435000 CPU: 10225.3, 0.00293132/step Wall: 10225.3, 0.00293132/step, 1.27431 hours remaining, 207.375000 MB of memory in use. ENERGY: 3435000 761.1040 2059.7202 1919.5640 115.3386 -205699.8280 17443.4359 0.0000 0.0000 34230.1617 -149170.5036 298.9405 -183400.6652 -149081.7410 299.3626 -171.0822 -138.0331 557508.1962 -4.2300 -4.1551 PRESSURE: 3435200 66.1891 67.1821 106.185 67.1805 -227.653 64.3213 106.185 64.3214 -125.247 GPRESSURE: 3435200 113.396 55.4096 28.4569 44.1958 -204.727 29.4634 144.539 101.086 -88.7851 PRESSAVG: 3435200 21.5704 -7.36962 -11.7133 -7.36966 -56.6649 1.7962 -11.7134 1.7962 3.30525 GPRESSAVG: 3435200 20.3445 -8.17352 -11.7191 -6.85195 -57.6579 5.4482 -11.9387 1.42171 5.94061 TIMING: 3435200 CPU: 10225.9, 0.00294435/step Wall: 10225.9, 0.00294435/step, 1.27981 hours remaining, 207.375000 MB of memory in use. ENERGY: 3435200 740.8064 2080.8064 1936.5471 105.3988 -206040.3750 17625.1907 0.0000 0.0000 34353.2388 -149198.3868 300.0154 -183551.6256 -149104.9720 298.6128 -95.5705 -60.0387 557491.3923 -10.5964 -10.4576 PRESSURE: 3435400 91.963 -91.1663 -112.72 -91.1675 124.937 87.9164 -112.72 87.9159 233.836 GPRESSURE: 3435400 154.685 -97.8112 -94.1043 -137.934 159.929 128.093 -85.647 38.6628 235.232 PRESSAVG: 3435400 81.8193 16.4349 -22.7565 16.4349 -6.7442 42.374 -22.7564 42.3739 -47.2961 GPRESSAVG: 3435400 82.2015 16.5608 -21.0753 16.315 -6.56982 38.4544 -24.9286 42.4352 -48.0755 TIMING: 3435400 CPU: 10226.5, 0.00294079/step Wall: 10226.5, 0.00294079/step, 1.2781 hours remaining, 207.375000 MB of memory in use. ENERGY: 3435400 738.0962 2020.9484 1934.4653 101.2504 -206545.8861 17975.0435 0.0000 0.0000 34505.2557 -149270.8266 301.3430 -183776.0823 -149175.0880 299.6228 150.2455 183.2818 555506.8867 9.2597 9.1854 PRESSURE: 3435600 68.1611 27.6821 176.353 27.6814 65.9806 28.1341 176.353 28.1352 -42.377 GPRESSURE: 3435600 80.8823 -25.3513 142.622 12.6533 91.197 64.0971 191.063 11.3516 10.2299 PRESSAVG: 3435600 19.5129 64.372 38.1869 64.372 20.8817 45.8125 38.1869 45.8126 -11.3047 GPRESSAVG: 3435600 20.7107 64.4179 36.8082 64.3272 19.6115 47.4328 39.8464 43.1051 -11.4023 TIMING: 3435600 CPU: 10227.1, 0.00293772/step Wall: 10227.1, 0.00293772/step, 1.2766 hours remaining, 207.375000 MB of memory in use. ENERGY: 3435600 715.2582 2064.4029 1935.5085 121.5579 -206435.3384 17931.7407 0.0000 0.0000 34188.1042 -149478.7661 298.5732 -183666.8703 -149383.6569 299.1433 30.5882 60.7697 557202.9555 9.6966 9.6400 PRESSURE: 3435800 -139.787 84.456 102.029 84.4553 209.499 173.935 102.028 173.934 -48.4869 GPRESSURE: 3435800 -101.24 81.1714 148.152 155.011 265.361 211.878 70.8939 190.483 -32.7742 PRESSAVG: 3435800 -51.2268 16.9415 110.624 16.9416 29.6585 59.8055 110.624 59.8056 32.5526 GPRESSAVG: 3435800 -52.8777 16.7534 109.686 16.5203 31.3674 59.1368 109.725 61.6158 32.5461 TIMING: 3435800 CPU: 10227.7, 0.00295776/step Wall: 10227.7, 0.00295776/step, 1.28515 hours remaining, 207.375000 MB of memory in use. ENERGY: 3435800 719.1371 2028.1737 1937.6677 117.1876 -206244.9359 17719.6740 0.0000 0.0000 34222.8504 -149500.2454 298.8767 -183723.0958 -149407.2922 298.6188 7.0751 43.7822 556192.0014 3.6615 3.6786 PRESSURE: 3436000 286.678 30.5307 -4.63337 30.5308 27.4543 -59.3599 -4.63381 -59.3587 -117.52 GPRESSURE: 3436000 344.8 -44.8655 -28.627 87.5614 109.381 -94.8131 -27.6678 -46.8025 -158.432 PRESSAVG: 3436000 41.4305 31.7562 -9.01471 31.7562 0.745436 39.1926 -9.01468 39.1926 -69.8914 GPRESSAVG: 3436000 41.8326 33.203 -7.69926 32.2301 1.49859 40.2927 -7.51236 39.4082 -71.2667 TIMING: 3436000 CPU: 10228.3, 0.00299008/step Wall: 10228.3, 0.00299008/step, 1.29902 hours remaining, 207.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3436000 720.0103 2060.0911 1911.9342 98.5952 -206840.1325 18044.5147 0.0000 0.0000 34206.7679 -149798.2191 298.7362 -184004.9871 -149700.4716 298.0681 65.5377 98.5830 557797.7633 -9.2385 -9.3118 PRESSURE: 3436200 -236.95 95.8916 -20.1639 95.892 131.154 44.4932 -20.1638 44.4918 4.83654 GPRESSURE: 3436200 -229.172 55.8315 8.50341 40.1869 137.983 67.1274 -44.2099 5.3661 78.0889 PRESSAVG: 3436200 -54.2881 74.4278 -8.96389 74.4279 -2.31565 27.5789 -8.96393 27.579 16.2435 GPRESSAVG: 3436200 -55.0514 74.4579 -9.49939 75.0559 -2.44054 28.0568 -9.73901 27.8531 16.6367 TIMING: 3436200 CPU: 10228.9, 0.00296502/step Wall: 10228.9, 0.00296502/step, 1.28797 hours remaining, 207.375000 MB of memory in use. ENERGY: 3436200 753.5767 2131.8323 1932.8395 95.5304 -206688.2938 17873.8616 0.0000 0.0000 33901.8247 -149998.8286 296.0731 -183900.6533 -149907.3774 297.9515 -33.6532 -4.3667 557584.8495 -13.4534 -13.6184 LDB: ============= START OF LOAD BALANCING ============== 10232.4 LDB: ============== END OF LOAD BALANCING =============== 10232.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10232.4 LDB: ============= START OF LOAD BALANCING ============== 10232.7 LDB: Largest compute 4772 load 0.024439 is 20.7% of average load 0.118279 LDB: Average compute 0.001721 is 1.5% of average load 0.118279 LDB: TIME 10232.7 LOAD: AVG 0.118279 MAX 0.198095 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.406 MB LDB: TIME 10232.7 LOAD: AVG 0.118279 MAX 0.198095 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.406 MB LDB: TIME 10232.7 LOAD: AVG 0.118279 MAX 0.198095 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.406 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10232.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10232.7 PRESSURE: 3436400 -52.8203 6.71092 -109.605 6.7117 -208.864 -128.549 -109.606 -128.55 102.446 GPRESSURE: 3436400 -0.0301323 -36.2242 -80.2282 -5.06464 -231.492 -146.021 -126.997 -64.2327 161.679 PRESSAVG: 3436400 18.6384 9.65971 -11.9435 9.65966 9.40368 21.5179 -11.9436 21.5178 -15.6307 GPRESSAVG: 3436400 19.9433 9.88164 -11.1587 7.78275 7.03071 23.383 -12.2427 20.8759 -14.7705 TIMING: 3436400 CPU: 10229.5, 0.00302275/step Wall: 10229.5, 0.00302275/step, 1.31288 hours remaining, 206.406250 MB of memory in use. ENERGY: 3436400 739.3074 2071.5063 1882.2724 105.6791 -206871.2786 17988.1233 0.0000 0.0000 34044.1566 -150040.2336 297.3161 -184084.3901 -149948.2153 297.5614 -53.0796 -23.2809 556991.7740 4.1371 4.0679 PRESSURE: 3436600 95.8683 89.63 201.365 89.6296 187.528 8.72368 201.365 8.72365 156.083 GPRESSURE: 3436600 200.434 21.8156 142.758 128.306 158.365 42.0403 217.06 28.1367 187.787 PRESSAVG: 3436600 23.495 -24.9678 2.87262 -24.9678 -0.00218479 5.49916 2.87257 5.49927 18.2651 GPRESSAVG: 3436600 23.346 -27.1451 2.2142 -22.9629 1.51224 3.02565 4.57292 7.28626 17.2601 TIMING: 3436600 CPU: 10230.1, 0.00295627/step Wall: 10230.1, 0.00295627/step, 1.28384 hours remaining, 206.406250 MB of memory in use. ENERGY: 3436600 740.6513 2038.6201 1899.3728 102.0682 -207096.5654 18282.6178 0.0000 0.0000 34087.1714 -149946.0639 297.6917 -184033.2352 -149851.4009 297.9251 146.4931 182.1954 555231.2929 13.9193 14.0394 PRESSURE: 3436800 -140.74 31.9248 38.8673 31.9235 56.0082 -95.572 38.8673 -95.571 -99.2722 GPRESSURE: 3436800 -116.248 25.6252 59.4586 62.9282 52.2576 -67.2939 85.0154 -134.243 -32.8461 PRESSAVG: 3436800 -25.2134 20.3942 -15.8351 20.3943 -19.0474 -26.808 -15.8352 -26.808 61.039 GPRESSAVG: 3436800 -25.4473 21.8653 -16.2005 19.38 -19.9101 -27.8834 -15.898 -28.2794 62.025 TIMING: 3436800 CPU: 10230.6, 0.00294916/step Wall: 10230.6, 0.00294916/step, 1.28059 hours remaining, 206.406250 MB of memory in use. ENERGY: 3436800 767.0066 2068.4603 1945.2486 112.4258 -206524.0757 17909.4390 0.0000 0.0000 33934.1917 -149787.3036 296.3557 -183721.4953 -149693.7650 298.4078 -61.3346 -32.2787 557624.2635 5.5927 5.5559 PRESSURE: 3437000 346.258 36.1986 79.817 36.1989 0.84357 72.0053 79.8177 72.0058 -12.3798 GPRESSURE: 3437000 347.375 52.5628 147.28 26.2592 96.053 -55.5556 22.6145 139.703 -16.1759 PRESSAVG: 3437000 26.4694 58.3293 45.2558 58.3294 14.9607 -14.7336 45.2558 -14.7337 -37.5158 GPRESSAVG: 3437000 27.825 59.7831 43.0831 57.7074 14.9307 -14.8404 45.7109 -12.6266 -38.4545 TIMING: 3437000 CPU: 10231.2, 0.00295175/step Wall: 10231.2, 0.00295175/step, 1.28155 hours remaining, 206.406250 MB of memory in use. ENERGY: 3437000 721.9282 2107.6887 1916.0804 109.1769 -206775.0795 17962.7371 0.0000 0.0000 34133.8608 -149823.6073 298.0995 -183957.4681 -149724.8468 298.8769 111.5739 142.4175 556793.2096 1.3048 1.4337 PRESSURE: 3437200 -19.1056 -9.07843 82.8501 -9.07834 -146.163 82.8909 82.8498 82.8906 37.5428 GPRESSURE: 3437200 6.5031 36.0614 88.4012 -8.49261 -91.7434 129.291 143.639 144.542 54.9132 PRESSAVG: 3437200 30.4359 38.6571 36.7863 38.6572 1.90537 22.7814 36.7864 22.7815 -52.0268 GPRESSAVG: 3437200 30.1175 37.7924 40.4847 38.3048 2.02901 23.5081 33.2096 20.3235 -52.0675 TIMING: 3437200 CPU: 10231.8, 0.00294667/step Wall: 10231.8, 0.00294667/step, 1.27918 hours remaining, 206.406250 MB of memory in use. ENERGY: 3437200 760.8291 2076.8670 1941.9022 114.3949 -206731.0881 17911.6508 0.0000 0.0000 34151.1147 -149774.3294 298.2502 -183925.4441 -149673.0084 297.8346 -42.5752 -10.1090 558337.9731 -6.5618 -6.6403 PRESSURE: 3437400 -174.209 -9.42414 167.166 -9.42564 -139.998 224.787 167.166 224.786 5.63223 GPRESSURE: 3437400 -136.801 -71.6293 146.068 64.542 -129.701 113.397 206.364 290.195 54.8205 PRESSAVG: 3437400 -2.73559 41.8415 37.0657 41.8415 -60.7077 -2.50988 37.0658 -2.50995 77.4742 GPRESSAVG: 3437400 -2.88114 40.2017 35.3046 45.0965 -60.4609 -1.80893 39.6022 -2.47288 78.0987 TIMING: 3437400 CPU: 10232.4, 0.00293163/step Wall: 10232.4, 0.00293163/step, 1.27249 hours remaining, 206.406250 MB of memory in use. ENERGY: 3437400 741.3055 2036.4233 1941.6839 106.1968 -206620.7283 17692.9817 0.0000 0.0000 34313.3571 -149788.7800 299.6671 -184102.1371 -149687.2971 298.2765 -102.8580 -70.5604 558157.0018 4.6770 4.9189 PRESSURE: 3437600 -32.1339 70.9189 17.0012 70.9192 7.91238 151.156 17.0008 151.157 142.66 GPRESSURE: 3437600 -22.2353 125.012 -56.4599 41.5238 106.309 181.63 -8.96171 122.85 124.888 PRESSAVG: 3437600 -54.9244 26.0512 -27.3322 26.0512 13.8151 21.3999 -27.3322 21.3999 44.1429 GPRESSAVG: 3437600 -55.2026 26.6404 -26.2238 24.2893 12.676 22.785 -29.3447 21.7675 44.7288 TIMING: 3437600 CPU: 10233, 0.0029288/step Wall: 10233, 0.0029288/step, 1.2711 hours remaining, 206.406250 MB of memory in use. ENERGY: 3437600 747.4031 2103.0913 1930.9213 120.8112 -206805.7869 18136.4292 0.0000 0.0000 34063.7261 -149703.4047 297.4870 -183767.1308 -149609.1466 298.2803 39.4796 69.6539 558708.4064 1.0112 0.7341 PRESSURE: 3437800 -19.8837 63.8825 -119.882 63.883 136.639 37.7851 -119.883 37.7853 -65.5499 GPRESSURE: 3437800 -61.1477 136.852 -73.5718 64.07 210.392 -111.39 -91.9805 72.646 -1.86969 PRESSAVG: 3437800 -61.8002 25.4061 12.7483 25.4062 15.4481 6.02899 12.7483 6.02893 85.5473 GPRESSAVG: 3437800 -62.9224 25.263 13.2207 25.551 17.242 3.92882 13.3819 6.73003 85.4455 TIMING: 3437800 CPU: 10233.6, 0.00294314/step Wall: 10233.6, 0.00294314/step, 1.27716 hours remaining, 206.406250 MB of memory in use. ENERGY: 3437800 725.1710 2101.1255 1921.5078 133.1166 -206900.7870 18068.7191 0.0000 0.0000 34159.1973 -149791.9497 298.3208 -183951.1469 -149697.3842 298.0707 17.0683 49.1248 557380.0952 13.0651 13.2550 PRESSURE: 3438000 219.521 22.5382 -18.7443 22.5388 66.3638 77.7608 -18.744 77.761 252.457 GPRESSURE: 3438000 263.002 117.074 -5.99969 15.1226 45.4303 67.92 -30.3435 130.437 323.528 PRESSAVG: 3438000 4.58774 15.1725 -10.2381 15.1725 -63.592 -23.7528 -10.238 -23.7528 96.3537 GPRESSAVG: 3438000 5.93352 15.6698 -12.5039 14.8639 -64.4784 -25.0137 -9.39624 -22.3816 95.9984 TIMING: 3438000 CPU: 10234.2, 0.00295767/step Wall: 10234.2, 0.00295767/step, 1.2833 hours remaining, 206.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3438000 728.4512 2102.9655 1898.0713 103.9728 -206946.5410 18119.7313 0.0000 0.0000 34153.7888 -149839.5601 298.2735 -183993.3488 -149741.6242 298.4224 179.4475 210.6535 556302.3222 12.4498 12.4845 PRESSURE: 3438200 -59.1718 146.245 126.316 146.246 -317.664 -32.2397 126.317 -32.2414 -10.6522 GPRESSURE: 3438200 -62.4206 176.112 135.719 50.6948 -225.511 -42.9777 120.073 -113.622 -2.25269 PRESSAVG: 3438200 48.8987 -23.4138 -4.93867 -23.4139 -28.0647 -27.1498 -4.93877 -27.1499 18.4272 GPRESSAVG: 3438200 50.5064 -25.0472 -2.94502 -24.0678 -28.677 -24.7082 -7.11321 -30.1939 17.9348 TIMING: 3438200 CPU: 10234.8, 0.00294188/step Wall: 10234.8, 0.00294188/step, 1.27629 hours remaining, 206.406250 MB of memory in use. ENERGY: 3438200 720.5027 2087.0025 1916.8097 101.9168 -206513.8061 17726.8052 0.0000 0.0000 34034.6265 -149926.1428 297.2329 -183960.7693 -149833.1957 297.6242 -129.1626 -96.7280 555908.4700 13.0871 13.2547 PRESSURE: 3438400 -130.34 -58.238 -130.317 -58.2375 73.4429 -3.51865 -130.317 -3.51786 -125.641 GPRESSURE: 3438400 -82.7368 -98.3949 -116.288 -104.009 103.782 -6.53728 -184.037 120.447 -109.379 PRESSAVG: 3438400 27.9215 -35.1188 9.13918 -35.1189 -18.9066 2.12896 9.13926 2.12908 -19.5643 GPRESSAVG: 3438400 26.6153 -32.6694 8.88396 -34.7874 -17.7084 1.67737 7.95672 3.20971 -19.2946 TIMING: 3438400 CPU: 10235.3, 0.00290848/step Wall: 10235.3, 0.00290848/step, 1.26163 hours remaining, 206.406250 MB of memory in use. ENERGY: 3438400 757.8791 2102.2505 1962.4217 110.3019 -206778.0974 17822.6052 0.0000 0.0000 34157.1512 -149865.4878 298.3029 -184022.6391 -149773.1417 297.4960 -60.8460 -29.4448 555380.6137 -3.5165 -3.4626 PRESSURE: 3438600 -89.1131 -31.5771 -152.146 -31.5761 131.223 21.9947 -152.146 21.9931 11.4062 GPRESSURE: 3438600 -118.108 -27.059 -162.083 -15.5032 154.553 45.5506 -94.0876 29.5103 116.288 PRESSAVG: 3438600 14.0446 -1.50317 -58.1261 -1.50317 -20.1606 18.7652 -58.1261 18.7653 33.3087 GPRESSAVG: 3438600 13.0128 -4.47816 -59.5658 -0.463274 -19.6888 18.7699 -55.7784 18.3445 34.1761 TIMING: 3438600 CPU: 10235.9, 0.00293179/step Wall: 10235.9, 0.00293179/step, 1.27158 hours remaining, 206.406250 MB of memory in use. ENERGY: 3438600 737.8498 2124.6229 1924.2832 108.4595 -206713.6134 17867.5310 0.0000 0.0000 34011.7327 -149939.1342 297.0329 -183950.8670 -149850.0412 298.3879 17.8385 50.9112 555479.6282 9.0642 9.1667 PRESSURE: 3438800 -108.888 116.674 131.987 116.674 -185.183 -164.199 131.987 -164.197 -237.697 GPRESSURE: 3438800 -8.40366 107.265 78.4409 7.73614 -193.949 -128.148 118.917 -189.089 -233.875 PRESSAVG: 3438800 2.57018 -27.4773 -19.1477 -27.4772 19.0207 -3.74238 -19.1478 -3.74238 -44.5355 GPRESSAVG: 3438800 3.27256 -24.6973 -19.8302 -29.2337 18.5213 -4.48332 -21.1815 -4.25102 -44.7432 TIMING: 3438800 CPU: 10236.5, 0.00290984/step Wall: 10236.5, 0.00290984/step, 1.2619 hours remaining, 206.406250 MB of memory in use. ENERGY: 3438800 746.8123 2062.6782 1961.9806 97.2651 -206449.3381 17677.8368 0.0000 0.0000 34093.4053 -149809.3599 297.7462 -183902.7651 -149711.5026 297.8414 -177.2559 -145.4091 557548.1464 -7.6482 -7.6498 PRESSURE: 3439000 -171.47 -10.6269 7.96366 -10.628 52.8327 -209.196 7.96416 -209.197 -123.311 GPRESSURE: 3439000 -129.813 -55.0129 60.422 10.3492 48.6673 -202.469 41.212 -170.482 -71.0765 PRESSAVG: 3439000 -9.94008 28.715 39.1319 28.715 8.29007 -40.7484 39.132 -40.7483 51.9507 GPRESSAVG: 3439000 -10.3796 28.9071 38.4818 27.7939 8.09423 -39.6348 40.5136 -41.8725 52.7192 TIMING: 3439000 CPU: 10237.1, 0.00290881/step Wall: 10237.1, 0.00290881/step, 1.26129 hours remaining, 206.406250 MB of memory in use. ENERGY: 3439000 762.2488 2089.4357 1958.1027 124.8677 -206295.3837 17866.7991 0.0000 0.0000 33687.7368 -149806.1930 294.2034 -183493.9298 -149708.0146 298.1188 -80.6492 -50.7408 556615.8293 16.7669 16.8113 PRESSURE: 3439200 -14.2209 -54.3235 160.483 -54.3236 127.245 -196.775 160.483 -196.774 111.364 GPRESSURE: 3439200 43.7072 -0.484696 199.686 -37.8882 115.621 -121.315 125.36 -195.899 157.223 PRESSAVG: 3439200 -37.0929 33.0795 40.6967 33.0795 19.5586 -61.6042 40.6966 -61.6042 10.9469 GPRESSAVG: 3439200 -35.8055 33.933 41.6626 34.9254 18.4482 -62.4786 41.392 -59.5537 11.1389 TIMING: 3439200 CPU: 10237.7, 0.00293219/step Wall: 10237.7, 0.00293219/step, 1.27127 hours remaining, 206.406250 MB of memory in use. ENERGY: 3439200 729.1551 2078.1878 1943.1966 118.7829 -206752.6597 17922.0436 0.0000 0.0000 34168.4415 -149792.8522 298.4015 -183961.2937 -149690.6502 298.0594 74.7960 105.5172 554782.2592 -2.1958 -2.0728 PRESSURE: 3439400 101.858 18.6016 48.6696 18.6036 75.1212 -47.4053 48.6692 -47.406 46.3184 GPRESSURE: 3439400 88.1838 1.16227 27.8031 -72.4067 103.597 11.0594 21.694 -69.7373 128.764 PRESSAVG: 3439400 29.5471 -13.1159 8.28349 -13.116 -44.0098 -47.3121 8.28345 -47.3121 8.12185 GPRESSAVG: 3439400 28.782 -15.6017 9.0099 -13.64 -42.2208 -48.69 7.92589 -45.9932 7.15288 TIMING: 3439400 CPU: 10238.3, 0.00293618/step Wall: 10238.3, 0.00293618/step, 1.27284 hours remaining, 206.406250 MB of memory in use. ENERGY: 3439400 815.7443 2104.5106 1949.2058 105.4566 -206593.3352 17848.7172 0.0000 0.0000 33947.6582 -149822.0424 296.4733 -183769.7007 -149722.9131 297.6183 74.4327 106.8485 556724.2452 -2.1136 -2.0953 PRESSURE: 3439600 -164.991 62.2395 -21.5858 62.2406 -210.178 110.894 -21.585 110.893 13.7709 GPRESSURE: 3439600 -85.1206 95.0129 -118.254 31.7444 -187.706 136.674 -0.413761 79.7002 10.6059 PRESSAVG: 3439600 -70.0929 46.3291 11.3261 46.3291 -20.4792 -36.7787 11.3261 -36.7785 89.5887 GPRESSAVG: 3439600 -69.3543 46.8866 11.1505 46.0213 -21.3495 -34.876 10.2705 -38.0479 90.0375 TIMING: 3439600 CPU: 10238.9, 0.00293105/step Wall: 10238.9, 0.00293105/step, 1.27045 hours remaining, 206.406250 MB of memory in use. ENERGY: 3439600 743.0212 2114.0169 1919.3492 111.4061 -206429.7413 17688.3934 0.0000 0.0000 34098.9079 -149754.6465 297.7942 -183853.5544 -149646.6674 298.1547 -120.4659 -87.4069 556445.0946 -0.3278 -0.2221 PRESSURE: 3439800 -499.567 24.1489 -39.4144 24.1507 -274.355 131.217 -39.4141 131.217 -418.039 GPRESSURE: 3439800 -451.307 50.9765 -62.4821 27.4229 -264.796 148.452 -76.2224 80.4035 -380.74 PRESSAVG: 3439800 10.1055 -14.167 -1.24075 -14.167 -43.0069 72.6567 -1.24078 72.6565 37.9378 GPRESSAVG: 3439800 10.4441 -15.2412 -1.47359 -12.8516 -42.6491 70.3347 0.789469 73.2059 37.1286 TIMING: 3439800 CPU: 10239.5, 0.00297354/step Wall: 10239.5, 0.00297354/step, 1.2887 hours remaining, 206.406250 MB of memory in use. ENERGY: 3439800 790.7125 2149.3758 1925.4270 121.8727 -206279.5320 17357.0396 0.0000 0.0000 34135.3007 -149799.8038 298.1121 -183935.1045 -149702.2592 297.7848 -397.3202 -365.6145 557621.3890 1.6788 1.6412 PRESSURE: 3440000 -154.26 2.31807 86.6725 2.31872 -161.387 43.3112 86.6722 43.3096 238.448 GPRESSURE: 3440000 -56.3751 -1.10937 152.396 30.8007 -161.539 50.6243 73.0765 17.6887 240.452 PRESSAVG: 3440000 -44.4458 -10.3304 -0.575136 -10.3303 -46.4911 -11.672 -0.575131 -11.672 100.536 GPRESSAVG: 3440000 -44.1998 -9.70686 -0.338735 -9.80352 -46.6252 -9.90482 -1.5668 -12.0104 101.448 TIMING: 3440000 CPU: 10240, 0.00296493/step Wall: 10240, 0.00296493/step, 1.2848 hours remaining, 206.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3440000 759.1340 2121.1724 1905.6944 110.4340 -206625.4894 17919.3092 0.0000 0.0000 34136.1409 -149673.6044 298.1194 -183809.7453 -149581.6275 298.6811 -25.7329 7.5125 556389.9710 3.1997 3.5409 PRESSURE: 3440200 91.4049 -19.0357 -43.0871 -19.0358 -45.4737 106.758 -43.0872 106.758 -127.7 GPRESSURE: 3440200 110.177 51.5307 -67.8525 -78.6696 -41.5378 83.5403 -84.5303 72.5492 -38.4157 PRESSAVG: 3440200 3.02192 -40.0661 6.55676 -40.0659 21.4491 2.16966 6.55667 2.16956 -11.4925 GPRESSAVG: 3440200 3.02056 -39.3297 6.67824 -41.4349 21.656 -0.51202 5.53256 4.13939 -11.2703 TIMING: 3440200 CPU: 10240.6, 0.00294873/step Wall: 10240.6, 0.00294873/step, 1.27762 hours remaining, 206.406250 MB of memory in use. ENERGY: 3440200 699.8398 2062.9957 1944.5271 103.9451 -206411.8413 17714.2242 0.0000 0.0000 34303.4842 -149582.8253 299.5809 -183886.3095 -149481.6029 298.1737 -27.2563 10.0746 557480.7416 4.3262 4.4687 LDB: ============= START OF LOAD BALANCING ============== 10244.2 LDB: ============== END OF LOAD BALANCING =============== 10244.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10244.2 LDB: ============= START OF LOAD BALANCING ============== 10244.5 LDB: Largest compute 4801 load 0.024543 is 20.8% of average load 0.118242 LDB: Average compute 0.001721 is 1.5% of average load 0.118242 LDB: TIME 10244.5 LOAD: AVG 0.118242 MAX 0.198811 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.691 MB LDB: TIME 10244.5 LOAD: AVG 0.118242 MAX 0.198811 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.891 MB LDB: TIME 10244.5 LOAD: AVG 0.118242 MAX 0.198811 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.891 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10244.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10244.5 PRESSURE: 3440400 -262.873 43.3843 41.4477 43.3848 148.623 15.1741 41.4474 15.1724 275.901 GPRESSURE: 3440400 -163.142 7.60119 49.8333 23.335 129.555 55.5893 38.7397 4.17407 286.173 PRESSAVG: 3440400 22.0908 4.11856 76.9838 4.11843 -8.73921 -58.2686 76.9838 -58.2687 14.0891 GPRESSAVG: 3440400 23.5717 4.32686 75.5381 4.58739 -10.574 -55.4358 78.3619 -60.5364 13.9857 TIMING: 3440400 CPU: 10241.2, 0.00301846/step Wall: 10241.2, 0.00301846/step, 1.30766 hours remaining, 208.855469 MB of memory in use. ENERGY: 3440400 764.9474 2112.1823 1956.1338 106.3769 -206724.8540 18004.8927 0.0000 0.0000 34349.3272 -149430.9938 299.9812 -183780.3210 -149331.5187 298.5275 53.8836 84.1953 555559.7993 9.1469 8.9945 PRESSURE: 3440600 -90.5953 24.1047 -124.409 24.105 277.212 111.618 -124.408 111.618 -125.058 GPRESSURE: 3440600 -59.2168 -5.25378 -92.9147 -21.5763 247.602 76.2805 -145.266 37.3478 -28.1061 PRESSAVG: 3440600 -26.6193 4.09592 23.3052 4.09594 30.717 -36.4879 23.3052 -36.4879 5.3851 GPRESSAVG: 3440600 -28.9491 2.85683 24.5895 3.43134 31.5332 -37.527 22.8906 -35.4428 6.40042 TIMING: 3440600 CPU: 10241.8, 0.00298551/step Wall: 10241.8, 0.00298551/step, 1.29322 hours remaining, 208.855469 MB of memory in use. ENERGY: 3440600 771.3084 2071.1872 1947.7986 120.5255 -206476.6378 17908.7095 0.0000 0.0000 34477.8058 -149179.3028 301.1033 -183657.1087 -149078.4565 299.4634 20.5197 53.4264 557266.2640 3.1609 2.9949 PRESSURE: 3440800 82.2366 38.3754 49.3065 38.3759 -139.945 12.6264 49.3062 12.6267 21.4552 GPRESSURE: 3440800 188.846 57.993 18.9386 59.3478 -162.809 76.8455 64.0859 -96.899 37.1528 PRESSAVG: 3440800 -25.206 11.563 -52.9693 11.563 27.5059 2.8875 -52.9693 2.88737 -1.7996 GPRESSAVG: 3440800 -24.7484 12.0665 -54.6504 12.6953 28.7656 4.62594 -50.793 0.427804 -3.27413 TIMING: 3440800 CPU: 10242.4, 0.00297154/step Wall: 10242.4, 0.00297154/step, 1.28701 hours remaining, 208.855469 MB of memory in use. ENERGY: 3440800 791.2765 2099.2420 1951.3521 117.1581 -206380.5186 17894.7111 0.0000 0.0000 34335.7313 -149191.0476 299.8625 -183526.7789 -149094.0397 299.1472 -12.0844 21.0631 557476.8893 0.1668 0.2477 PRESSURE: 3441000 -333.845 -12.762 -26.3478 -12.7622 -188.406 39.8285 -26.3473 39.8279 -186.566 GPRESSURE: 3441000 -372.613 -15.4827 -41.8202 25.8431 -98.4088 0.654545 -64.5382 -11.1186 -135.52 PRESSAVG: 3441000 44.2347 13.0784 -76.3998 13.0783 23.2993 1.93897 -76.3998 1.93901 -11.8273 GPRESSAVG: 3441000 44.47 14.1127 -75.0873 11.9394 21.6983 2.38189 -78.012 3.01896 -10.5171 TIMING: 3441000 CPU: 10243, 0.00293949/step Wall: 10243, 0.00293949/step, 1.27296 hours remaining, 208.855469 MB of memory in use. ENERGY: 3441000 720.5461 2148.0543 1951.4903 108.8310 -205601.1955 17259.9742 0.0000 0.0000 34118.1184 -149294.1813 297.9620 -183412.2996 -149196.7904 299.6107 -236.2723 -202.1806 558057.5308 18.5689 18.5504 PRESSURE: 3441200 149.308 -26.1517 4.11616 -26.1509 85.104 86.7257 4.11654 86.7247 231.252 GPRESSURE: 3441200 140.965 -30.7937 -31.1578 -73.4784 115.871 88.1736 -17.4419 2.24823 305.315 PRESSAVG: 3441200 -48.4598 -66.2922 12.8949 -66.2922 -18.3865 -12.9621 12.8948 -12.9621 49.1942 GPRESSAVG: 3441200 -48.3696 -68.1238 13.0813 -65.642 -17.0412 -15.1778 12.3958 -12.8336 47.7472 TIMING: 3441200 CPU: 10243.6, 0.00297828/step Wall: 10243.6, 0.00297828/step, 1.28959 hours remaining, 208.855469 MB of memory in use. ENERGY: 3441200 742.9699 2056.8886 1931.0347 112.3527 -206181.1099 18052.9073 0.0000 0.0000 34098.5418 -149186.4149 297.7910 -183284.9567 -149088.2967 298.6705 155.2214 187.3836 557112.6584 -5.8841 -5.8879 PRESSURE: 3441400 17.4648 38.3514 107.261 38.3515 -207.084 127.09 107.261 127.091 -122.42 GPRESSURE: 3441400 16.1078 43.1 158.799 22.2193 -176.545 93.9837 84.5303 46.4075 -54.3187 PRESSAVG: 3441400 -20.3322 -7.73063 16.8256 -7.7307 21.3484 -34.0956 16.8255 -34.0958 16.2027 GPRESSAVG: 3441400 -20.0658 -7.75543 17.9909 -6.92994 21.676 -33.2532 16.0183 -32.8763 15.611 TIMING: 3441400 CPU: 10244.2, 0.00298376/step Wall: 10244.2, 0.00298376/step, 1.2918 hours remaining, 208.855469 MB of memory in use. ENERGY: 3441400 783.7295 2066.2096 1936.1548 115.1061 -205773.0585 17596.0379 0.0000 0.0000 34074.8552 -149200.9655 297.5842 -183275.8207 -149099.9078 298.7917 -104.0133 -71.5852 557832.8892 5.7396 5.7404 PRESSURE: 3441600 353.422 -31.9766 -82.5919 -31.9756 -54.3431 24.0917 -82.5921 24.0914 48.2963 GPRESSURE: 3441600 340.441 -45.8985 -24.1437 -3.71057 53.9245 66.0988 -98.1155 -93.4279 51.573 PRESSAVG: 3441600 25.122 36.9934 68.0057 36.9934 -54.6554 -2.65746 68.0057 -2.65753 -10.367 GPRESSAVG: 3441600 24.3236 38.1025 66.9754 36.0166 -55.1845 -0.882786 69.641 -4.11341 -9.43569 TIMING: 3441600 CPU: 10244.8, 0.00297658/step Wall: 10244.8, 0.00297658/step, 1.28853 hours remaining, 208.855469 MB of memory in use. ENERGY: 3441600 768.2422 2080.3231 1927.7179 96.9757 -206104.8913 17911.6193 0.0000 0.0000 34181.1416 -149138.8714 298.5124 -183320.0130 -149032.1232 299.1182 115.7917 148.6461 556433.1958 -13.3001 -13.4322 PRESSURE: 3441800 -182.936 242.515 -71.1898 242.514 37.1375 138.15 -71.191 138.15 -92.3049 GPRESSURE: 3441800 -109.613 278.167 -37.0703 133.346 72.6387 117.339 -92.203 78.0946 -94.0235 PRESSAVG: 3441800 57.5756 35.5252 -11.0146 35.5253 -5.09978 -34.1992 -11.0146 -34.1993 -29.7857 GPRESSAVG: 3441800 58.096 37.4137 -12.2439 34.7104 -5.61827 -35.9653 -12.3578 -33.4104 -29.2696 TIMING: 3441800 CPU: 10245.4, 0.00294672/step Wall: 10245.4, 0.00294672/step, 1.27544 hours remaining, 208.855469 MB of memory in use. ENERGY: 3441800 733.1279 2095.1443 1922.5465 109.6516 -205922.5607 17710.6741 0.0000 0.0000 34052.8426 -149298.5738 297.3919 -183351.4163 -149201.0337 299.7212 -79.3677 -43.6658 556578.3822 7.5634 7.7361 PRESSURE: 3442000 156.409 41.4582 -41.4403 41.458 168.103 146.759 -41.4386 146.758 179.944 GPRESSURE: 3442000 150.611 52.4344 -79.9338 148.637 200.18 134.387 -3.95705 160.759 222.542 PRESSAVG: 3442000 8.74581 13.3187 -25.4465 13.3187 37.1073 -21.7491 -25.4465 -21.749 -57.2409 GPRESSAVG: 3442000 8.43669 10.7824 -25.4106 16.492 38.5966 -21.8127 -24.1768 -20.7854 -58.4787 TIMING: 3442000 CPU: 10246, 0.00295117/step Wall: 10246, 0.00295117/step, 1.2772 hours remaining, 208.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3442000 699.7323 2106.0018 1974.5255 112.4046 -206191.6002 17899.4683 0.0000 0.0000 34217.8935 -149181.5741 298.8334 -183399.4676 -149085.0011 299.2582 168.1518 191.1107 557399.7882 -3.7959 -3.8151 PRESSURE: 3442200 -99.9402 -234.935 -34.3525 -234.935 121.819 89.8728 -34.3528 89.8718 -143.175 GPRESSURE: 3442200 -57.2904 -258.786 42.5928 -156.358 102.532 135.882 -99.1921 53.3988 -74.6243 PRESSAVG: 3442200 -5.6067 -6.33721 38.1045 -6.33729 16.9901 -9.81711 38.1046 -9.81715 -21.3515 GPRESSAVG: 3442200 -5.15538 -6.46353 38.0821 -9.04504 15.8073 -9.39153 37.8926 -10.4792 -20.8699 TIMING: 3442200 CPU: 10246.6, 0.00292746/step Wall: 10246.6, 0.00292746/step, 1.26678 hours remaining, 208.855469 MB of memory in use. ENERGY: 3442200 722.4592 2065.7021 1947.6725 104.0347 -205432.1154 17515.5771 0.0000 0.0000 34114.5953 -148962.0745 297.9312 -183076.6699 -148864.5483 299.2414 -40.4321 -9.7943 558559.9482 -3.3227 -3.4060 PRESSURE: 3442400 -44.7564 -96.0529 23.3098 -96.0531 -407.711 71.7752 23.3095 71.7775 -87.8817 GPRESSURE: 3442400 5.1645 -107.302 54.3716 -107.539 -358.377 52.7779 -68.9372 109.461 -93.6434 PRESSAVG: 3442400 -74.8989 24.8534 25.9386 24.8534 27.0552 9.30095 25.9386 9.30097 70.5308 GPRESSAVG: 3442400 -74.3945 25.7237 25.704 26.7484 26.7592 9.32905 25.4674 10.2455 70.4458 TIMING: 3442400 CPU: 10247.2, 0.00294378/step Wall: 10247.2, 0.00294378/step, 1.27368 hours remaining, 208.855469 MB of memory in use. ENERGY: 3442400 733.5139 2142.6647 1940.2369 112.0433 -205467.1935 17305.9732 0.0000 0.0000 34319.8597 -148912.9017 299.7239 -183232.7614 -148816.1950 300.0363 -180.1164 -148.9518 557383.5913 7.5624 7.6035 PRESSURE: 3442600 75.9373 36.3485 -85.7602 36.3487 13.9133 63.7931 -85.7611 63.7923 -201.586 GPRESSURE: 3442600 89.867 63.529 -110.133 22.2834 10.2134 83.56 4.66564 -8.68274 -111.132 PRESSAVG: 3442600 5.28302 -16.9192 28.8704 -16.9192 4.96413 25.8386 28.8704 25.8386 -26.0064 GPRESSAVG: 3442600 4.6296 -19.2465 29.1202 -16.3397 4.61855 26.6965 29.4851 25.0057 -24.7463 TIMING: 3442600 CPU: 10247.7, 0.0029395/step Wall: 10247.7, 0.0029395/step, 1.27166 hours remaining, 208.855469 MB of memory in use. ENERGY: 3442600 735.0490 2072.7787 1955.8661 102.6854 -206409.2166 17961.0204 0.0000 0.0000 34656.7169 -148925.1001 302.6657 -183581.8170 -148833.6315 300.8074 -37.2453 -3.6838 557967.0054 -5.2531 -5.1660 PRESSURE: 3442800 -67.5926 16.413 -36.988 16.4123 -213.843 -86.9405 -36.9877 -86.9407 29.1886 GPRESSURE: 3442800 37.2316 37.414 12.8023 13.901 -156.295 -145.44 -37.1525 -92.1193 -41.569 PRESSAVG: 3442800 17.1463 33.5786 -0.83654 33.5787 11.5066 -41.9957 -0.836526 -41.9958 -16.107 GPRESSAVG: 3442800 17.1983 34.8863 -1.0134 34.1299 11.972 -44.0463 -0.748398 -42.1756 -16.965 TIMING: 3442800 CPU: 10248.3, 0.00293298/step Wall: 10248.3, 0.00293298/step, 1.26868 hours remaining, 208.855469 MB of memory in use. ENERGY: 3442800 756.5403 2121.7151 1957.4163 119.3536 -205953.6370 17769.2310 0.0000 0.0000 34300.4874 -148928.8935 299.5547 -183229.3808 -148823.5743 300.8711 -84.0822 -53.5442 558954.9162 4.1820 4.0684 PRESSURE: 3443000 -64.9454 -135.874 98.2377 -135.873 83.2181 -68.8688 98.2376 -68.8683 -247.009 GPRESSURE: 3443000 -50.4907 -190.913 142.171 -72.4979 90.0078 -86.9454 26.9213 -58.7369 -181.481 PRESSAVG: 3443000 40.6386 -39.0898 -18.1508 -39.0897 8.35517 -47.7065 -18.1509 -47.7064 -28.4285 GPRESSAVG: 3443000 42.1174 -39.2078 -16.8197 -39.8791 6.17851 -47.1644 -18.0312 -46.4156 -27.9821 TIMING: 3443000 CPU: 10248.9, 0.00295591/step Wall: 10248.9, 0.00295591/step, 1.27843 hours remaining, 208.855469 MB of memory in use. ENERGY: 3443000 752.7103 2098.4867 1932.1548 112.9555 -205571.8577 17569.4327 0.0000 0.0000 34273.3427 -148832.7749 299.3176 -183106.1175 -148745.7684 300.2388 -76.2454 -47.3212 558801.8796 6.8551 6.7713 PRESSURE: 3443200 -5.36839 -220.151 50.4483 -220.15 -107.004 2.7978 50.4478 2.79834 30.7096 GPRESSURE: 3443200 12.3513 -184.105 30.9456 -219.858 -57.9723 34.0663 31.8021 44.0464 59.3742 PRESSAVG: 3443200 13.9349 -52.81 -23.8284 -52.81 -33.8407 -24.1167 -23.8285 -24.1167 -40.9188 GPRESSAVG: 3443200 13.281 -53.2667 -23.1487 -52.7391 -34.128 -23.517 -24.3943 -24.47 -40.5422 TIMING: 3443200 CPU: 10249.5, 0.00294063/step Wall: 10249.5, 0.00294063/step, 1.27166 hours remaining, 208.855469 MB of memory in use. ENERGY: 3443200 728.7216 1996.0132 1928.1180 100.3218 -206096.1169 17801.3411 0.0000 0.0000 34731.7568 -148809.8444 303.3211 -183541.6011 -148715.9981 300.3736 -27.2209 4.5844 558500.8185 -20.2749 -20.4631 PRESSURE: 3443400 -206.26 -267.152 -38.874 -267.152 290.701 186.694 -38.8742 186.695 -96.0978 GPRESSURE: 3443400 -169.879 -254.62 -63.3519 -222.523 363.546 115.962 -55.9679 244.871 -105.335 PRESSAVG: 3443400 10.1499 -14.3151 -6.28313 -14.3151 67.1093 47.4376 -6.28322 47.4376 -1.59469 GPRESSAVG: 3443400 9.12888 -12.4472 -6.96292 -16.9026 68.5215 46.237 -7.53181 47.943 -1.38538 TIMING: 3443400 CPU: 10250.1, 0.00292818/step Wall: 10250.1, 0.00292818/step, 1.26611 hours remaining, 208.855469 MB of memory in use. ENERGY: 3443400 771.6039 2123.9866 1933.4732 117.7634 -206092.0980 17938.8157 0.0000 0.0000 34390.3175 -148816.1377 300.3392 -183206.4552 -148727.2167 300.5142 -3.8857 29.4440 558378.7456 25.2215 25.4217 PRESSURE: 3443600 49.2363 11.6991 62.627 11.6999 -144.719 69.9571 62.6271 69.9562 -190.603 GPRESSURE: 3443600 47.6966 -5.22058 21.3252 37.1966 -77.4605 2.43317 160.604 111.888 -160.732 PRESSAVG: 3443600 40.036 -9.2226 -6.51422 -9.22254 21.6549 37.5154 -6.51422 37.5154 -44.353 GPRESSAVG: 3443600 40.7466 -10.704 -6.78072 -8.93234 20.3143 37.5248 -5.06884 37.1609 -43.8994 TIMING: 3443600 CPU: 10250.7, 0.00294372/step Wall: 10250.7, 0.00294372/step, 1.27267 hours remaining, 208.855469 MB of memory in use. ENERGY: 3443600 758.8100 2082.8301 1958.3403 114.4265 -205852.6137 17745.4148 0.0000 0.0000 34241.2815 -148951.5105 299.0376 -183192.7919 -148856.3354 300.0761 -95.3622 -63.4987 558021.6492 5.7793 5.7205 PRESSURE: 3443800 -35.1014 4.19055 -79.1559 4.18996 77.157 -187.514 -79.1554 -187.513 184.834 GPRESSURE: 3443800 0.797348 1.15655 -25.0611 31.5594 95.6993 -131.491 -170.409 -117.585 226.454 PRESSAVG: 3443800 62.1586 12.1223 -3.91271 12.1222 -91.0482 -72.6783 -3.91269 -72.6784 -13.2392 GPRESSAVG: 3443800 63.2185 12.0887 -5.25811 13.7706 -91.125 -71.8264 -2.46413 -72.7611 -14.6189 TIMING: 3443800 CPU: 10251.3, 0.00293355/step Wall: 10251.3, 0.00293355/step, 1.26811 hours remaining, 208.855469 MB of memory in use. ENERGY: 3443800 726.7793 2084.2985 1946.3461 130.9062 -206218.9013 18076.1844 0.0000 0.0000 34381.3644 -148873.0224 300.2610 -183254.3868 -148774.9344 300.2855 75.6298 107.6501 558264.4749 -14.0429 -14.1751 PRESSURE: 3444000 141.466 -245.664 1.58803 -245.665 133.017 128.062 1.59072 128.061 -182.285 GPRESSURE: 3444000 207.841 -212.856 -99.7644 -240.292 142.142 117.53 19.3397 110 -165.103 PRESSAVG: 3444000 -33.4101 -40.7544 9.10611 -40.7544 40.8876 -91.7333 9.10623 -91.7333 4.46285 GPRESSAVG: 3444000 -33.878 -40.4095 9.81278 -41.2126 40.9001 -91.4672 10.4089 -91.287 4.58591 TIMING: 3444000 CPU: 10251.9, 0.00296594/step Wall: 10251.9, 0.00296594/step, 1.28195 hours remaining, 208.855469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3444000 719.7448 2124.7209 1925.1678 119.3072 -205932.1342 17835.0814 0.0000 0.0000 34290.9562 -148917.1560 299.4714 -183208.1122 -148819.1093 300.2481 30.7327 61.6266 559059.4794 3.9801 3.8694 PRESSURE: 3444200 125.188 -216.151 83.4099 -216.151 10.2838 70.634 83.4107 70.6338 227.154 GPRESSURE: 3444200 124.605 -324.085 64.9842 -43.3257 92.7963 70.1731 118.414 124.399 239.879 PRESSAVG: 3444200 -46.2799 -14.8118 -0.743367 -14.8119 2.4081 35.3166 -0.743358 35.3168 33.6375 GPRESSAVG: 3444200 -47.71 -15.447 1.22967 -14.0403 3.22617 34.9701 -5.02353 36.5423 34.2664 TIMING: 3444200 CPU: 10252.5, 0.00296607/step Wall: 10252.5, 0.00296607/step, 1.28184 hours remaining, 208.855469 MB of memory in use. ENERGY: 3444200 728.7838 2073.2026 1933.1224 133.6112 -205873.2345 17709.5612 0.0000 0.0000 34406.4141 -148888.5394 300.4798 -183294.9534 -148789.4226 300.1984 120.8753 152.4267 555095.3961 -3.4114 -3.4058 LDB: ============= START OF LOAD BALANCING ============== 10256 LDB: ============== END OF LOAD BALANCING =============== 10256 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10256 LDB: ============= START OF LOAD BALANCING ============== 10256.3 LDB: Largest compute 4801 load 0.023722 is 20.1% of average load 0.118278 LDB: Average compute 0.001722 is 1.5% of average load 0.118278 LDB: TIME 10256.3 LOAD: AVG 0.118278 MAX 0.198405 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.145 MB LDB: TIME 10256.3 LOAD: AVG 0.118278 MAX 0.198405 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.145 MB LDB: TIME 10256.3 LOAD: AVG 0.118278 MAX 0.198405 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.145 MB LDB: ============== END OF LOAD BALANCING =============== 10256.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10256.3 PRESSURE: 3444400 -61.3992 -103.823 23.5329 -103.825 -3.1879 -9.33406 23.5329 -9.334 290.05 GPRESSURE: 3444400 11.5658 -51.0889 -36.7896 -112.654 34.8311 27.5609 84.3035 -62.5828 263.235 PRESSAVG: 3444400 -25.4287 -17.9955 -59.6089 -17.9956 15.0107 20.5402 -59.609 20.5401 2.73805 GPRESSAVG: 3444400 -23.8889 -18.0666 -61.28 -17.6945 14.5816 21.5934 -57.4192 19.0911 1.16884 TIMING: 3444400 CPU: 10253.1, 0.00303143/step Wall: 10253.1, 0.00303143/step, 1.30991 hours remaining, 206.605469 MB of memory in use. ENERGY: 3444400 761.7489 2064.0128 1941.1419 116.0386 -206009.1884 17853.7739 0.0000 0.0000 34297.2020 -148975.2702 299.5260 -183272.4722 -148876.6257 300.5020 75.1544 103.2105 555535.1246 -2.5600 -2.7128 PRESSURE: 3444600 88.8266 114.438 -46.5675 114.438 253.22 -9.58959 -46.5674 -9.58976 74.6314 GPRESSURE: 3444600 148.587 124.328 -75.4452 46.3642 244.789 -0.34905 -45.2944 -39.3522 120.892 PRESSAVG: 3444600 -69.6043 19.6824 -41.9837 19.6823 36.642 70.1974 -41.9838 70.1975 6.87148 GPRESSAVG: 3444600 -71.0146 20.7777 -42.1348 17.6447 36.7511 69.8947 -42.166 71.5651 6.84743 TIMING: 3444600 CPU: 10253.7, 0.00299098/step Wall: 10253.7, 0.00299098/step, 1.29227 hours remaining, 206.644531 MB of memory in use. ENERGY: 3444600 733.1068 2032.4934 1944.4681 125.5610 -206153.2332 18041.2082 0.0000 0.0000 34243.5119 -149032.8837 299.0571 -183276.3957 -148941.3571 300.1329 138.8928 171.4224 556314.7507 -8.6969 -9.1387 PRESSURE: 3444800 -17.2858 67.0886 104.774 67.0891 76.3699 36.7401 104.775 36.7394 -12.9937 GPRESSURE: 3444800 7.76327 18.5807 47.5328 118.177 128.202 88.4563 128.215 14.7161 6.10305 PRESSAVG: 3444800 -5.07583 6.30208 29.7412 6.30212 40.4864 59.5167 29.7412 59.5167 -16.8499 GPRESSAVG: 3444800 -5.53467 6.99787 29.2628 7.03404 39.665 60.9936 29.9401 58.5268 -15.9869 TIMING: 3444800 CPU: 10254.3, 0.00295709/step Wall: 10254.3, 0.00295709/step, 1.27746 hours remaining, 206.644531 MB of memory in use. ENERGY: 3444800 717.7331 2059.2629 1930.1250 112.0384 -205959.6528 17603.4817 0.0000 0.0000 34366.4576 -149170.5541 300.1308 -183537.0117 -149067.5324 300.1188 15.3634 47.3560 556739.1053 6.1869 6.0478 PRESSURE: 3445000 -19.5841 46.7953 -130.993 46.7954 -6.80811 -71.6133 -130.992 -71.6124 -31.3169 GPRESSURE: 3445000 -56.078 48.6777 -94.8444 41.3071 56.6193 -25.5766 -84.4515 -131.524 39.0515 PRESSAVG: 3445000 -9.79794 33.835 -4.6743 33.8351 6.3453 -18.461 -4.67428 -18.4609 -7.85852 GPRESSAVG: 3445000 -9.7102 30.4116 -4.08148 35.7637 6.17665 -20.017 -4.0391 -19.1448 -7.56698 TIMING: 3445000 CPU: 10254.8, 0.00296956/step Wall: 10254.8, 0.00296956/step, 1.28268 hours remaining, 206.644531 MB of memory in use. ENERGY: 3445000 693.1719 2113.3856 1941.6182 104.4553 -206469.5735 17822.6489 0.0000 0.0000 34390.1131 -149404.1805 300.3374 -183794.2936 -149303.4987 299.2524 -19.2364 13.1976 556929.0570 -3.7704 -3.7002 PRESSURE: 3445200 -271.376 81.4548 -124.842 81.4548 -239.835 76.9961 -124.841 76.9956 14.0681 GPRESSURE: 3445200 -289.64 86.1789 43.1065 103.143 -178.493 55.595 -173.797 65.9181 62.2194 PRESSAVG: 3445200 -15.0838 32.614 -46.9493 32.614 -28.8944 -10.2149 -46.9493 -10.215 32.2201 GPRESSAVG: 3445200 -15.4577 33.9376 -45.3179 31.4216 -29.5481 -9.25527 -48.8325 -8.87838 33.1883 TIMING: 3445200 CPU: 10255.4, 0.00294649/step Wall: 10255.4, 0.00294649/step, 1.27256 hours remaining, 206.644531 MB of memory in use. ENERGY: 3445200 761.7951 2015.1256 1936.2339 108.5347 -205971.1158 17483.8060 0.0000 0.0000 34115.0781 -149550.5424 297.9355 -183665.6205 -149453.8148 299.0270 -165.7144 -135.3045 556669.1167 -3.9194 -3.9392 PRESSURE: 3445400 99.3817 15.1346 16.4562 15.1354 -14.0101 -25.8463 16.456 -25.8475 -302.284 GPRESSURE: 3445400 115.492 7.76726 -56.8085 3.48381 32.6966 -50.5065 64.6418 -74.9023 -282.021 PRESSAVG: 3445400 18.0193 16.0986 -25.5519 16.0987 10.0709 16.0251 -25.5519 16.025 -13.022 GPRESSAVG: 3445400 18.1912 19.9003 -26.6653 15.0525 10.0284 18.2977 -24.6901 13.6229 -13.6109 TIMING: 3445400 CPU: 10256, 0.00295279/step Wall: 10256, 0.00295279/step, 1.27511 hours remaining, 206.644531 MB of memory in use. ENERGY: 3445400 754.1770 2075.7989 1905.0482 102.2963 -206299.1063 17627.1863 0.0000 0.0000 34303.3589 -149531.2407 299.5798 -183834.5995 -149439.7689 298.2025 -72.3040 -44.6108 556102.0199 5.0227 4.8695 PRESSURE: 3445600 -165.817 110.018 -123.954 110.018 128.635 194.748 -123.953 194.747 -41.9452 GPRESSURE: 3445600 -103.539 123.953 -46.5203 22.1308 150.399 83.719 -115.404 201.18 -25.1957 PRESSAVG: 3445600 13.8016 -1.63952 -2.40089 -1.63949 2.3289 33.9379 -2.40094 33.9379 -62.6204 GPRESSAVG: 3445600 14.3745 -4.03038 -4.01244 -1.14221 2.30812 31.5951 -1.55754 34.9414 -62.7752 TIMING: 3445600 CPU: 10256.6, 0.00294742/step Wall: 10256.6, 0.00294743/step, 1.27263 hours remaining, 206.644531 MB of memory in use. ENERGY: 3445600 704.8184 2046.0231 1926.6751 118.1167 -206157.5995 17742.4574 0.0000 0.0000 34026.1202 -149593.3887 297.1586 -183619.5088 -149492.0733 297.9892 -26.3757 7.2215 556618.0111 -15.4966 -15.3642 PRESSURE: 3445800 -4.38109 44.7401 -98.3262 44.7406 -60.5387 132.602 -98.3273 132.602 18.0092 GPRESSURE: 3445800 8.74675 -38.6081 -36.324 136.921 -35.5889 89.8901 -117.068 87.9199 88.3265 PRESSAVG: 3445800 3.28263 45.1151 -7.05354 45.1151 48.7948 30.4861 -7.05362 30.4862 -28.2402 GPRESSAVG: 3445800 4.11842 44.2669 -4.6902 44.0119 49.3793 31.3133 -9.10451 31.0185 -29.3294 TIMING: 3445800 CPU: 10257.2, 0.00294691/step Wall: 10257.2, 0.00294691/step, 1.27225 hours remaining, 206.644531 MB of memory in use. ENERGY: 3445800 744.9714 2115.6428 1936.2021 100.0747 -206030.6032 17625.7871 0.0000 0.0000 33992.6726 -149515.2525 296.8665 -183507.9252 -149416.8325 298.0200 -15.6369 20.4948 554972.3458 7.9457 8.0561 PRESSURE: 3446000 -41.9661 125.228 -96.3231 125.227 -45.8415 68.4083 -96.3231 68.4069 -43.6399 GPRESSURE: 3446000 -5.26429 64.8571 -47.7131 103.684 -42.7509 72.1111 -97.9746 78.5552 -2.6182 PRESSAVG: 3446000 11.2877 -0.600312 -44.0329 -0.60035 -2.22349 6.20302 -44.033 6.2029 -18.7736 GPRESSAVG: 3446000 10.4495 0.746908 -45.708 -0.0756019 -2.49832 7.41678 -43.2087 4.65602 -17.6507 TIMING: 3446000 CPU: 10257.8, 0.00295611/step Wall: 10257.8, 0.00295611/step, 1.27605 hours remaining, 206.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3446000 726.8453 2060.5142 1937.8495 116.5258 -206293.6914 17660.9522 0.0000 0.0000 33972.7520 -149818.2523 296.6925 -183791.0044 -149732.0263 297.4864 -43.8158 -16.8778 554149.5007 -3.2364 -3.2332 PRESSURE: 3446200 -98.2348 22.0837 -2.88303 22.0835 -342.597 35.2449 -2.88256 35.2417 -78.7657 GPRESSURE: 3446200 -43.1695 -19.9549 -8.11021 72.8562 -334.328 56.4709 -30.1895 -1.47172 -37.2152 PRESSAVG: 3446200 -32.9039 5.85817 -34.482 5.85818 11.0813 -40.0519 -34.4819 -40.0521 27.1866 GPRESSAVG: 3446200 -32.1575 6.08324 -34.0921 3.98648 11.3699 -42.4976 -34.4313 -38.4361 26.3712 TIMING: 3446200 CPU: 10258.4, 0.00294003/step Wall: 10258.4, 0.00294003/step, 1.26895 hours remaining, 206.644531 MB of memory in use. ENERGY: 3446200 775.3206 2022.1724 1925.0455 107.5206 -206468.7856 17682.1973 0.0000 0.0000 33986.8651 -149969.6642 296.8157 -183956.5292 -149880.6313 297.4002 -173.1993 -138.2375 555732.3562 1.7880 1.8612 PRESSURE: 3446400 -29.6949 163.821 20.5544 163.822 -53.7074 -63.6961 20.555 -63.6965 43.2701 GPRESSURE: 3446400 -40.7591 173.594 52.8181 172.639 -58.9857 -51.045 -51.8528 -120.386 138.886 PRESSAVG: 3446400 -39.725 11.2665 -20.2558 11.2665 57.926 23.8117 -20.2558 23.8117 11.7889 GPRESSAVG: 3446400 -40.1525 9.45793 -20.3564 12.0878 58.9684 23.5288 -19.2087 23.0842 11.9145 TIMING: 3446400 CPU: 10259, 0.00293361/step Wall: 10259, 0.00293361/step, 1.26602 hours remaining, 206.644531 MB of memory in use. ENERGY: 3446400 722.0071 2113.0938 1929.3573 118.7779 -206570.1114 17828.1529 0.0000 0.0000 34108.9783 -149749.7439 297.8822 -183858.7222 -149661.4424 297.7144 -13.3774 13.0470 556577.2472 9.9966 10.2435 PRESSURE: 3446600 53.3179 155.39 33.0571 155.39 40.885 96.9692 33.0574 96.9695 110.86 GPRESSURE: 3446600 103.653 70.6463 28.0066 43.2379 90.7845 129.707 24.2242 32.8459 111.097 PRESSAVG: 3446600 -37.0016 26.8048 -48.8225 26.8049 -40.0804 -4.18138 -48.8226 -4.18151 41.0264 GPRESSAVG: 3446600 -37.0948 29.3485 -49.7045 25.0724 -40.0184 -4.78445 -49.3831 -4.22868 41.276 TIMING: 3446600 CPU: 10259.6, 0.00294441/step Wall: 10259.6, 0.00294441/step, 1.27051 hours remaining, 206.644531 MB of memory in use. ENERGY: 3446600 737.0116 2010.4707 1934.2390 112.3688 -206876.4165 18114.8157 0.0000 0.0000 34163.8688 -149803.6419 298.3616 -183967.5108 -149714.7099 297.3640 68.3543 101.8451 556897.2071 -12.0185 -11.9457 PRESSURE: 3446800 11.7459 197.177 -80.889 197.176 85.4281 46.3175 -80.889 46.3178 99.6726 GPRESSURE: 3446800 48.9717 190.999 -83.8928 146.938 69.6253 -10.2568 -46.3255 22.4346 178.885 PRESSAVG: 3446800 -16.9514 31.9634 2.21315 31.9634 0.238826 -10.6116 2.21312 -10.6116 35.715 GPRESSAVG: 3446800 -16.3569 29.1153 3.36716 35.4046 -0.620836 -8.24268 1.8232 -11.6596 36.373 TIMING: 3446800 CPU: 10260.2, 0.00298975/step Wall: 10260.2, 0.00298975/step, 1.28991 hours remaining, 206.644531 MB of memory in use. ENERGY: 3446800 745.2300 2067.2023 1911.3638 110.0792 -206721.9548 18024.4133 0.0000 0.0000 34079.9937 -149783.6725 297.6291 -183863.6662 -149695.5135 297.6662 65.6155 99.1606 556544.9841 6.3341 6.4651 PRESSURE: 3447000 11.5785 -21.0381 -23.3791 -21.0356 -23.4188 -4.24543 -23.3795 -4.24646 231.66 GPRESSURE: 3447000 99.0389 -32.5389 -8.58428 -93.3439 5.3678 95.435 6.07194 -19.041 211.237 PRESSAVG: 3447000 -73.0035 -14.9037 -43.37 -14.9037 2.02277 -21.5485 -43.37 -21.5485 23.5666 GPRESSAVG: 3447000 -72.6453 -14.5507 -44.1184 -16.0711 1.62999 -21.7691 -41.7217 -21.6559 23.8258 TIMING: 3447000 CPU: 10260.8, 0.00297851/step Wall: 10260.8, 0.00297852/step, 1.2849 hours remaining, 206.644531 MB of memory in use. ENERGY: 3447000 763.9385 2115.9279 1930.7163 114.6629 -206749.1855 17960.7274 0.0000 0.0000 34171.9773 -149691.2352 298.4324 -183863.2125 -149597.5023 298.2875 73.2734 105.2147 556943.9807 -15.8047 -15.7298 PRESSURE: 3447200 108.027 -186.462 208.89 -186.463 79.8566 -56.7563 208.89 -56.7568 -200.115 GPRESSURE: 3447200 137.047 -63.6242 171.233 -259.411 47.0267 3.05505 142.787 -63.5763 -95.0591 PRESSAVG: 3447200 7.31419 -2.94713 3.91306 -2.94711 -38.9142 -20.9795 3.91307 -20.9796 43.4554 GPRESSAVG: 3447200 6.64067 -4.71829 4.41434 -2.29591 -37.9883 -21.3978 1.80827 -20.4756 42.9431 TIMING: 3447200 CPU: 10261.3, 0.00295784/step Wall: 10261.3, 0.00295784/step, 1.27581 hours remaining, 206.644531 MB of memory in use. ENERGY: 3447200 781.8464 2061.0357 1943.2852 108.2107 -206510.7262 17851.0762 0.0000 0.0000 34185.4296 -149579.8425 298.5499 -183765.2721 -149475.7968 298.4170 -4.0770 29.6715 556719.4813 3.9518 3.8651 PRESSURE: 3447400 -50.9255 55.8823 -95.0656 55.8814 28.3178 -31.3472 -95.0646 -31.3468 78.6616 GPRESSURE: 3447400 -28.7548 -11.9572 -71.9727 100.955 44.4759 49.5304 -68.0544 1.60289 132.574 PRESSAVG: 3447400 -21.9804 47.7869 -17.9746 47.7869 -38.7781 -0.231873 -17.9745 -0.231881 42.3725 GPRESSAVG: 3447400 -21.5152 48.4124 -16.2622 48.3959 -38.5535 0.117784 -17.7079 0.772442 41.7703 TIMING: 3447400 CPU: 10261.9, 0.00294406/step Wall: 10261.9, 0.00294406/step, 1.26971 hours remaining, 206.644531 MB of memory in use. ENERGY: 3447400 747.2798 2073.6196 1947.6553 129.0616 -206694.0404 17962.1264 0.0000 0.0000 34236.5447 -149597.7530 298.9963 -183834.2977 -149504.2408 298.7093 18.6846 49.4318 555247.8477 -6.1286 -6.0995 PRESSURE: 3447600 -313.774 162.136 7.90473 162.135 -93.6279 54.256 7.90501 54.257 -109.791 GPRESSURE: 3447600 -191.742 190.34 -42.5346 106.169 -60.2092 55.9736 -15.87 39.6995 -157.564 PRESSAVG: 3447600 5.10228 -17.0522 -15.1366 -17.0523 30.2645 -11.7728 -15.1366 -11.7727 -21.2799 GPRESSAVG: 3447600 5.3849 -17.3161 -16.1111 -19.4082 30.385 -12.3491 -14.9579 -13.7135 -21.1349 TIMING: 3447600 CPU: 10262.5, 0.0029282/step Wall: 10262.5, 0.0029282/step, 1.2627 hours remaining, 206.644531 MB of memory in use. ENERGY: 3447600 729.7309 2171.3047 1911.7220 109.8851 -206042.0914 17527.3470 0.0000 0.0000 34018.6549 -149573.4468 297.0934 -183592.1017 -149485.6955 298.7233 -172.3974 -136.5051 555450.7202 4.6956 4.8783 PRESSURE: 3447800 -125.653 145.975 88.8426 145.974 175.33 38.4717 88.843 38.4724 -96.4154 GPRESSURE: 3447800 -123.066 144.256 120.032 184.134 232.329 12.2726 90.0257 -9.69422 -65.71 PRESSAVG: 3447800 -69.7808 -6.73401 3.34144 -6.73403 56.0013 -34.2405 3.34134 -34.2404 -14.6589 GPRESSAVG: 3447800 -70.5084 -6.34435 5.1677 -4.35547 56.1771 -33.3952 1.59679 -33.9406 -13.9526 TIMING: 3447800 CPU: 10263.1, 0.00294205/step Wall: 10263.1, 0.00294205/step, 1.26851 hours remaining, 206.644531 MB of memory in use. ENERGY: 3447800 758.3596 2039.1611 1945.5044 107.0826 -206345.7687 17848.1500 0.0000 0.0000 34212.8274 -149434.6835 298.7891 -183647.5109 -149326.4426 298.0205 -15.5794 14.5178 557211.3899 -9.4794 -9.4280 PRESSURE: 3448000 -214.472 203.528 11.0306 203.528 -101.512 158.558 11.0293 158.559 -28.5367 GPRESSURE: 3448000 -171.59 278.696 -23.0872 148.739 -93.0062 146.476 54.7337 143.904 18.8555 PRESSAVG: 3448000 -48.634 6.41486 26.2241 6.41481 -20.4443 11.0719 26.224 11.0718 59.6043 GPRESSAVG: 3448000 -48.3641 6.66268 23.767 4.42222 -20.1943 12.5029 29.8324 9.64803 59.3451 TIMING: 3448000 CPU: 10263.7, 0.00298003/step Wall: 10263.7, 0.00298003/step, 1.28473 hours remaining, 206.644531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3448000 727.5530 2098.6465 1932.7023 121.3063 -206306.0243 17672.8149 0.0000 0.0000 34161.5034 -149591.4979 298.3409 -183753.0013 -149497.1913 298.6449 -114.8403 -81.9136 557377.3607 -3.1580 -3.0711 PRESSURE: 3448200 -84.8604 39.523 -181.76 39.5217 12.13 -6.57963 -181.759 -6.5789 10.0703 GPRESSURE: 3448200 -48.9919 15.6701 -199.412 159.472 24.0577 -98.843 -143.488 38.1271 67.7926 PRESSAVG: 3448200 -47.602 13.9493 39.775 13.9492 -63.9285 -11.3565 39.775 -11.3565 100.607 GPRESSAVG: 3448200 -48.1773 16.2104 39.103 13.9435 -64.0546 -13.1821 39.9625 -8.02911 101.602 TIMING: 3448200 CPU: 10264.3, 0.00297643/step Wall: 10264.3, 0.00297643/step, 1.28301 hours remaining, 206.644531 MB of memory in use. ENERGY: 3448200 711.9215 2147.5121 1899.4782 105.1385 -206027.6579 17603.5510 0.0000 0.0000 34061.2040 -149498.8527 297.4650 -183560.0567 -149402.1486 298.9938 -20.8867 14.2861 556506.9260 -3.6412 -3.5433 LDB: ============= START OF LOAD BALANCING ============== 10267.9 LDB: ============== END OF LOAD BALANCING =============== 10267.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10267.9 LDB: ============= START OF LOAD BALANCING ============== 10268.1 LDB: Largest compute 4801 load 0.024318 is 20.6% of average load 0.118211 LDB: Average compute 0.001725 is 1.5% of average load 0.118211 LDB: TIME 10268.2 LOAD: AVG 0.118211 MAX 0.197102 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.117 MB LDB: TIME 10268.2 LOAD: AVG 0.118211 MAX 0.197102 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.117 MB LDB: TIME 10268.2 LOAD: AVG 0.118211 MAX 0.197102 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.117 MB LDB: ============== END OF LOAD BALANCING =============== 10268.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10268.2 PRESSURE: 3448400 -87.1911 34.0457 -107.211 34.0468 161.34 -102.073 -107.211 -102.073 -180.931 GPRESSURE: 3448400 -51.6696 47.5991 -36.9227 37.8436 179.818 -171.557 -179.177 -160.69 -143.57 PRESSAVG: 3448400 42.5342 20.2432 17.0539 20.2432 -18.5263 17.3866 17.054 17.3865 -41.0423 GPRESSAVG: 3448400 42.8464 17.3253 17.0169 21.836 -17.1675 18.8414 16.0394 14.5843 -42.4297 TIMING: 3448400 CPU: 10264.9, 0.00303317/step Wall: 10264.9, 0.00303317/step, 1.3073 hours remaining, 207.886719 MB of memory in use. ENERGY: 3448400 729.0513 2102.4550 1902.9864 111.6092 -206274.5442 17670.1589 0.0000 0.0000 34191.9081 -149566.3752 298.6064 -183758.2833 -149459.7151 297.9908 -35.5940 -5.1405 556663.2090 -5.6781 -5.5836 PRESSURE: 3448600 -1.18602 22.1917 14.3865 22.1918 -46.8744 -55.7447 14.3861 -55.7447 -1.81572 GPRESSURE: 3448600 -20.4683 -0.449704 62.3825 10.5642 -20.2112 -52.9547 -17.6269 -69.3573 91.089 PRESSAVG: 3448600 0.14038 99.2533 21.053 99.2533 9.90608 -38.392 21.053 -38.3921 -15.3822 GPRESSAVG: 3448600 -0.139306 101.212 20.1434 96.5632 8.80315 -37.6404 21.091 -37.5524 -14.4819 TIMING: 3448600 CPU: 10265.5, 0.00296596/step Wall: 10265.5, 0.00296596/step, 1.27816 hours remaining, 207.886719 MB of memory in use. ENERGY: 3448600 727.7186 2078.0642 1929.3795 113.6680 -206419.4319 17759.7488 0.0000 0.0000 34155.4189 -149655.4339 298.2878 -183810.8529 -149562.2961 298.4026 -16.6254 16.8031 557091.5219 -1.7786 -1.9393 PRESSURE: 3448800 7.3236 -98.8376 -57.7409 -98.8362 -368.147 188.101 -57.7421 188.099 -181.474 GPRESSURE: 3448800 42.5237 -44.4862 -36.1736 -124.998 -378.71 196.112 -85.5417 93.8968 -107.638 PRESSAVG: 3448800 -19.825 8.74457 44.2808 8.74455 17.789 17.7365 44.2808 17.7365 31.8448 GPRESSAVG: 3448800 -20.2647 8.32616 45.9543 10.3356 17.4662 16.8173 43.6334 17.5353 32.6431 TIMING: 3448800 CPU: 10266.1, 0.00298177/step Wall: 10266.1, 0.00298177/step, 1.28481 hours remaining, 207.886719 MB of memory in use. ENERGY: 3448800 747.1290 2072.1273 1902.9660 97.9585 -206068.0306 17460.1838 0.0000 0.0000 34086.1870 -149701.4789 297.6831 -183787.6659 -149604.6637 297.9140 -180.7658 -147.9414 556466.4774 9.9363 9.9482 PRESSURE: 3449000 62.7682 10.3987 -6.23057 10.3992 215.929 -92.6042 -6.23022 -92.6045 -49.158 GPRESSURE: 3449000 68.1264 -2.60099 92.1136 38.4338 231.743 -17.0202 -89.033 -161.905 30.3522 PRESSAVG: 3449000 -32.0877 -7.05908 8.84852 -7.05914 65.1527 -4.89071 8.84845 -4.89067 -43.9906 GPRESSAVG: 3449000 -31.341 -7.95538 10.0071 -4.92671 67.2296 -5.35521 9.6 -4.64411 -46.8536 TIMING: 3449000 CPU: 10266.7, 0.00295995/step Wall: 10266.7, 0.00295995/step, 1.27525 hours remaining, 207.886719 MB of memory in use. ENERGY: 3449000 744.4757 2082.8180 1922.4069 108.7009 -206732.3023 18080.4283 0.0000 0.0000 34227.1461 -149566.3264 298.9142 -183793.4725 -149473.9744 298.3670 76.5131 110.0738 555726.5405 -3.6419 -3.6550 PRESSURE: 3449200 -224.197 -90.0946 12.2627 -90.0943 -269.766 19.6776 12.2621 19.6789 -204.25 GPRESSURE: 3449200 -217.13 -101.732 87.8546 -148.427 -199.784 48.7588 -9.73969 18.3461 -188.419 PRESSAVG: 3449200 -97.5506 1.1106 -1.59028 1.11064 20.7309 -7.00247 -1.59037 -7.00251 55.5514 GPRESSAVG: 3449200 -97.791 2.60353 -2.28327 0.217095 20.298 -8.02874 -2.7736 -4.78088 56.2393 TIMING: 3449200 CPU: 10267.3, 0.00297489/step Wall: 10267.3, 0.00297489/step, 1.28152 hours remaining, 207.886719 MB of memory in use. ENERGY: 3449200 764.8697 2083.4380 1923.9615 110.5708 -205912.6811 17464.6793 0.0000 0.0000 34159.8073 -149405.3546 298.3261 -183565.1619 -149314.5729 298.2744 -232.7376 -201.7777 558245.8457 -7.0894 -7.0845 PRESSURE: 3449400 -82.2806 -100.07 2.97551 -100.07 -157.76 5.70272 2.97657 5.70139 -228.63 GPRESSURE: 3449400 17.6361 -144.018 -81.1916 -94.3737 -164.941 -9.38753 35.2533 8.24804 -227.06 PRESSAVG: 3449400 -36.8889 -39.6293 -13.2488 -39.6293 14.7777 21.715 -13.2488 21.7151 27.0711 GPRESSAVG: 3449400 -36.3726 -41.1818 -13.7892 -40.7849 13.5566 22.9857 -12.1935 22.2094 27.629 TIMING: 3449400 CPU: 10267.9, 0.00293643/step Wall: 10267.9, 0.00293643/step, 1.26479 hours remaining, 207.886719 MB of memory in use. ENERGY: 3449400 754.4448 2094.7681 1910.0980 110.1254 -206004.0692 17560.5514 0.0000 0.0000 34355.3727 -149218.7087 300.0340 -183574.0814 -149127.6916 298.4434 -156.2235 -124.7881 557889.8974 1.6533 1.6043 PRESSURE: 3449600 -217.558 -141.811 -105.017 -141.811 -59.0188 268.291 -105.018 268.292 -347.717 GPRESSURE: 3449600 -172.283 -108.936 -158.081 -180.67 -62.763 318.54 -116.905 234.661 -292.935 PRESSAVG: 3449600 82.2524 6.81035 -3.93912 6.81039 -28.3683 16.2399 -3.93911 16.24 -58.4562 GPRESSAVG: 3449600 82.0477 7.76036 -3.01024 6.7029 -28.3694 16.7836 -6.04277 14.4631 -58.1247 TIMING: 3449600 CPU: 10268.5, 0.00293457/step Wall: 10268.5, 0.00293457/step, 1.26382 hours remaining, 207.886719 MB of memory in use. ENERGY: 3449600 708.8415 2112.9507 1920.3397 103.7772 -205500.5552 17376.3657 0.0000 0.0000 33999.5298 -149278.7507 296.9263 -183278.2805 -149184.8711 298.8635 -208.0977 -175.9938 558095.3823 -1.5240 -1.4821 PRESSURE: 3449800 10.2737 53.0263 9.10264 53.0267 -195.079 32.1795 9.10221 32.1816 -225.401 GPRESSURE: 3449800 46.2553 45.7949 -55.3459 66.181 -140.139 -48.062 -12.8194 51.4647 -218.428 PRESSAVG: 3449800 -10.9871 -20.9114 -50.6739 -20.9115 70.2557 1.05311 -50.674 1.05308 13.4469 GPRESSAVG: 3449800 -11.2106 -21.4051 -51.8684 -19.4556 70.3771 -0.256613 -47.8667 1.65174 13.1635 TIMING: 3449800 CPU: 10269.1, 0.00295628/step Wall: 10269.1, 0.00295628/step, 1.27301 hours remaining, 207.886719 MB of memory in use. ENERGY: 3449800 728.2688 2089.6620 1892.7262 112.4510 -206199.5253 17666.6587 0.0000 0.0000 34132.6099 -149577.1486 298.0886 -183709.7585 -149476.6473 298.2275 -136.7354 -104.1036 556853.5449 24.2385 24.1100 PRESSURE: 3450000 93.0513 204.843 -42.8009 204.843 -177.84 37.9189 -42.8013 37.9191 -90.7998 GPRESSURE: 3450000 133.481 283.234 -88.4468 134.148 -174.637 25.6334 17.1188 40.4681 -33.1667 PRESSAVG: 3450000 -5.43756 21.8195 14.194 21.8196 -1.19678 25.9572 14.1941 25.9571 16.9211 GPRESSAVG: 3450000 -4.54156 22.7999 12.9376 21.2987 -1.79072 26.4686 11.157 26.1324 16.5832 TIMING: 3450000 CPU: 10269.6, 0.00297379/step Wall: 10269.6, 0.00297379/step, 1.28038 hours remaining, 207.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3450000 727.2604 2110.6194 1932.6278 115.5718 -206107.1428 17559.7910 0.0000 0.0000 34172.5179 -149488.7547 298.4371 -183661.2725 -149392.6372 298.8147 -58.5295 -24.7743 557221.7144 3.4289 3.4170 PRESSURE: 3450200 -319.587 216.504 -78.2705 216.504 -81.2879 52.263 -78.2699 52.2637 -166.794 GPRESSURE: 3450200 -285.741 169.794 18.5085 197.487 -0.81065 115.517 -189.004 154.383 -187.734 PRESSAVG: 3450200 -17.8797 40.9998 8.985 40.9997 21.2389 -39.2284 8.98494 -39.2282 30.4182 GPRESSAVG: 3450200 -19.1068 39.6213 9.67408 41.7135 22.2314 -38.7817 9.55181 -36.6706 29.9166 TIMING: 3450200 CPU: 10270.2, 0.00295359/step Wall: 10270.2, 0.00295359/step, 1.27152 hours remaining, 207.886719 MB of memory in use. ENERGY: 3450200 719.0693 2024.5591 1892.3210 112.7439 -205947.9207 17619.2024 0.0000 0.0000 34165.4492 -149414.5757 298.3754 -183580.0250 -149308.6910 298.2380 -189.2232 -158.0951 558701.4995 11.2591 11.0137 PRESSURE: 3450400 -163.402 -209.353 -32.8588 -209.354 122.197 20.2573 -32.8581 20.2574 234.065 GPRESSURE: 3450400 -147.055 -252.543 -13.1681 -216.332 139.126 6.64906 -75.505 67.2658 287.499 PRESSAVG: 3450400 -12.3256 30.6203 50.3619 30.6203 -6.91875 12.4978 50.362 12.4977 0.381491 GPRESSAVG: 3450400 -12.6954 30.6773 49.8198 30.88 -7.61775 14.1103 51.6135 8.83725 1.10883 TIMING: 3450400 CPU: 10270.8, 0.00293717/step Wall: 10270.8, 0.00293717/step, 1.26429 hours remaining, 207.886719 MB of memory in use. ENERGY: 3450400 727.7903 2075.3197 1889.0259 111.7844 -206264.0163 17868.3522 0.0000 0.0000 34155.1876 -149436.5562 298.2857 -183591.7439 -149342.9596 298.6119 64.2866 93.1899 556824.7582 -6.2876 -6.4014 PRESSURE: 3450600 -217.587 -40.067 -76.2208 -40.0675 -161.793 -6.62657 -76.2202 -6.6261 180.371 GPRESSURE: 3450600 -181.912 -96.5707 -105.285 39.565 -155.009 39.0649 -21.5366 -4.11452 240.374 PRESSAVG: 3450600 48.4355 -19.446 -5.10891 -19.446 9.86046 23.8836 -5.10874 23.8836 -26.5443 GPRESSAVG: 3450600 48.5174 -20.4169 -5.46927 -20.8214 10.7818 22.7356 -5.83409 23.7997 -27.4258 TIMING: 3450600 CPU: 10271.4, 0.00293143/step Wall: 10271.4, 0.00293142/step, 1.26165 hours remaining, 207.886719 MB of memory in use. ENERGY: 3450600 751.6605 2087.6354 1923.6690 109.4931 -206282.6783 17759.6485 0.0000 0.0000 34396.3712 -149254.2007 300.3921 -183650.5719 -149162.3884 298.6159 -66.3361 -32.1824 557589.3218 10.5839 10.6244 PRESSURE: 3450800 206.355 -31.3753 -117.335 -31.3761 42.4339 35.1177 -117.333 35.1166 -68.4364 GPRESSURE: 3450800 192.431 -1.27361 -200.175 -53.805 49.5444 45.7575 -230.426 7.52877 21.6924 PRESSAVG: 3450800 -24.932 -22.9061 -72.6937 -22.9062 23.9375 -19.6903 -72.6936 -19.6904 5.62101 GPRESSAVG: 3450800 -25.1535 -20.951 -73.4146 -22.2289 24.0022 -19.5698 -72.0025 -18.0298 5.42181 TIMING: 3450800 CPU: 10272, 0.00294614/step Wall: 10272, 0.00294614/step, 1.26782 hours remaining, 207.886719 MB of memory in use. ENERGY: 3450800 730.3041 2055.6928 1957.8269 118.5401 -206602.3234 18087.8539 0.0000 0.0000 34209.1405 -149442.9651 298.7569 -183652.1057 -149350.7146 298.5715 60.1175 87.8893 558174.6249 1.5422 1.4235 PRESSURE: 3451000 -213.226 180.892 -125.479 180.891 67.4708 -60.4122 -125.478 -60.4121 71.4262 GPRESSURE: 3451000 -136.632 105.85 -167.076 96.6479 59.8348 -131.856 -82.4965 -59.9649 91.6839 PRESSAVG: 3451000 7.02829 -33.4155 -32.5793 -33.4156 -7.9266 10.9933 -32.5793 10.9932 -14.1729 GPRESSAVG: 3451000 7.78557 -35.6854 -31.4178 -32.8349 -9.03939 10.3299 -34.4936 11.0323 -14.0267 TIMING: 3451000 CPU: 10272.6, 0.00296665/step Wall: 10272.6, 0.00296665/step, 1.27648 hours remaining, 207.886719 MB of memory in use. ENERGY: 3451000 760.2234 2052.3176 1935.6088 114.1240 -206354.7750 17918.1957 0.0000 0.0000 34267.7399 -149306.5655 299.2687 -183574.3055 -149211.1691 298.5697 -24.7764 4.9622 557279.1332 -5.0237 -5.0935 PRESSURE: 3451200 227.817 -60.2253 -143.794 -60.2239 258.929 -195.232 -143.794 -195.232 93.3005 GPRESSURE: 3451200 247.804 -33.3763 -113.952 -2.71522 267.395 -104.184 -102.935 -109.57 153.279 PRESSAVG: 3451200 -0.1088 -23.7393 -45.0833 -23.7393 11.9298 -46.7169 -45.0832 -46.7169 -25.0756 GPRESSAVG: 3451200 -0.432552 -22.2249 -44.8758 -24.9008 10.9201 -48.1227 -43.871 -44.8889 -23.907 TIMING: 3451200 CPU: 10273.2, 0.0029236/step Wall: 10273.2, 0.0029236/step, 1.2578 hours remaining, 207.886719 MB of memory in use. ENERGY: 3451200 732.8521 2099.4786 1917.6015 91.6859 -206408.2804 17997.9045 0.0000 0.0000 34346.4050 -149222.3528 299.9557 -183568.7579 -149132.2810 299.0578 193.3490 222.8263 556768.0215 -4.4182 -4.4731 PRESSURE: 3451400 -146.971 -12.4773 -45.7673 -12.4774 91.9518 -90.6976 -45.7669 -90.6982 -5.77215 GPRESSURE: 3451400 -145.314 33.568 -109.878 -15.4504 172.748 -53.6157 -22.8461 -21.7968 13.1643 PRESSAVG: 3451400 -14.7754 -50.0403 -7.21486 -50.0402 -31.1867 3.2948 -7.21496 3.29465 -12.1679 GPRESSAVG: 3451400 -15.2427 -49.3749 -8.39454 -50.4795 -29.2408 5.24912 -7.34758 1.86698 -13.8903 TIMING: 3451400 CPU: 10273.8, 0.00292265/step Wall: 10273.8, 0.00292265/step, 1.25723 hours remaining, 207.886719 MB of memory in use. ENERGY: 3451400 732.3300 2048.0464 1934.8906 116.8344 -206006.7310 17784.4783 0.0000 0.0000 34127.5062 -149262.6450 298.0440 -183390.1512 -149163.9565 299.7886 -20.2638 13.5329 557880.2072 -19.3767 -19.4579 PRESSURE: 3451600 -24.6333 -31.1466 -155.309 -31.1465 -66.677 6.34215 -155.309 6.34204 15.5305 GPRESSURE: 3451600 -7.78648 -36.3921 -140.32 2.03105 0.276494 57.5401 -209.474 29.728 33.2384 PRESSAVG: 3451600 3.87196 -52.888 32.1091 -52.8879 -9.44026 46.8462 32.1091 46.8462 59.8049 GPRESSAVG: 3451600 4.76412 -53.5738 32.9234 -51.1256 -10.742 47.3235 33.2797 44.5058 60.2228 TIMING: 3451600 CPU: 10274.3, 0.00293586/step Wall: 10274.3, 0.00293586/step, 1.26274 hours remaining, 207.886719 MB of memory in use. ENERGY: 3451600 761.3155 2108.1528 1938.5347 114.2225 -206328.6089 17890.4474 0.0000 0.0000 34175.8943 -149340.0417 298.4666 -183515.9360 -149237.6460 299.2298 -25.2599 8.5761 557244.1813 18.0789 18.0816 PRESSURE: 3451800 -189.097 -89.7106 -81.795 -89.7088 281.429 -70.1472 -81.7935 -70.1467 50.4163 GPRESSURE: 3451800 -84.8264 -27.2985 -34.1197 -103.395 288.849 -46.0975 -47.4593 -113.381 19.9377 PRESSAVG: 3451800 7.76416 -25.4827 34.9365 -25.4826 52.2162 44.2233 34.9364 44.2234 -67.7018 GPRESSAVG: 3451800 7.12805 -23.7675 36.1069 -26.907 51.8695 42.9093 34.5762 46.0458 -66.8453 TIMING: 3451800 CPU: 10274.9, 0.00291791/step Wall: 10274.9, 0.00291791/step, 1.25487 hours remaining, 207.886719 MB of memory in use. ENERGY: 3451800 728.6587 2099.0978 1918.4271 111.4307 -206281.7871 17847.9047 0.0000 0.0000 34343.1889 -149233.0792 299.9276 -183576.2681 -149137.3401 298.9660 47.5828 74.6533 558070.7817 -2.5738 -2.6159 PRESSURE: 3452000 -25.756 100.027 -87.9767 100.028 -124.826 44.7982 -87.9767 44.7998 18.5587 GPRESSURE: 3452000 24.716 17.09 -60.6623 84.6912 -87.7681 5.64243 -97.405 100.408 22.2126 PRESSAVG: 3452000 -9.48771 17.5083 14.7696 17.5082 24.7562 -12.496 14.7696 -12.4962 33.1477 GPRESSAVG: 3452000 -10.0458 15.2473 14.0095 16.5175 25.5018 -10.8695 13.7664 -11.9667 32.4943 TIMING: 3452000 CPU: 10275.5, 0.00294062/step Wall: 10275.5, 0.00294062/step, 1.26447 hours remaining, 207.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3452000 747.0690 2067.3011 1912.4078 105.5830 -206236.9626 17932.0732 0.0000 0.0000 34306.5919 -149165.9365 299.6080 -183472.5284 -149066.9353 298.6478 -44.0079 -13.6132 558220.2573 16.1387 15.9835 PRESSURE: 3452200 -144.152 -59.1203 10.3152 -59.1199 58.2767 -163.995 10.3158 -163.996 -193.547 GPRESSURE: 3452200 -109.445 49.4451 -157.814 -117.008 56.7988 -107.995 30.1054 -183.883 -134.824 PRESSAVG: 3452200 18.3528 -10.7276 44.1782 -10.7275 -15.4359 21.4971 44.1784 21.4969 -24.3762 GPRESSAVG: 3452200 17.6846 -10.1243 41.5275 -9.92194 -15.2356 22.1363 46.3316 20.0154 -23.8285 TIMING: 3452200 CPU: 10276.1, 0.00294646/step Wall: 10276.1, 0.00294646/step, 1.26681 hours remaining, 207.886719 MB of memory in use. ENERGY: 3452200 760.9404 2176.9011 1908.0443 121.2177 -206247.3411 17749.9623 0.0000 0.0000 34374.1461 -149156.1292 300.1980 -183530.2752 -149057.9005 299.3657 -93.1406 -62.4898 558206.2627 -7.1531 -7.1265 LDB: ============= START OF LOAD BALANCING ============== 10279.7 LDB: ============== END OF LOAD BALANCING =============== 10279.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10279.7 LDB: ============= START OF LOAD BALANCING ============== 10280 LDB: Largest compute 4801 load 0.023875 is 20.2% of average load 0.118206 LDB: Average compute 0.001716 is 1.5% of average load 0.118206 LDB: TIME 10280 LOAD: AVG 0.118206 MAX 0.197753 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.664 MB LDB: TIME 10280 LOAD: AVG 0.118206 MAX 0.197753 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.672 MB LDB: TIME 10280 LOAD: AVG 0.118206 MAX 0.197753 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.672 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10280 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10280 PRESSURE: 3452400 21.5624 60.6949 77.179 60.6956 -149.697 8.1443 77.179 8.14358 59.0813 GPRESSURE: 3452400 85.8328 68.4443 57.1826 23.7688 -150.743 -10.6398 68.8941 10.4735 90.2406 PRESSAVG: 3452400 4.04369 24.5274 17.8069 24.5274 33.6457 -46.3297 17.8068 -46.3297 -16.5976 GPRESSAVG: 3452400 4.57095 23.8229 19.1734 24.9341 33.9579 -46.7552 16.381 -47.1855 -17.6917 TIMING: 3452400 CPU: 10276.7, 0.00302202/step Wall: 10276.7, 0.00302202/step, 1.29913 hours remaining, 207.886719 MB of memory in use. ENERGY: 3452400 786.2761 2071.7087 1915.7763 107.1328 -206054.9813 17667.6890 0.0000 0.0000 34375.9828 -149130.4154 300.2140 -183506.3982 -149034.6698 299.1761 -23.0177 8.4433 558012.4355 7.0306 6.9457 PRESSURE: 3452600 93.1384 13.9537 -92.4396 13.9544 -49.3368 -69.4225 -92.44 -69.4245 -105.948 GPRESSURE: 3452600 88.4248 55.5527 -137.39 19.9551 10.4181 -81.3732 -61.1334 -37.5733 -61.2539 PRESSAVG: 3452600 8.15626 74.0074 5.15515 74.0075 -75.962 -2.29696 5.15513 -2.29705 43.5957 GPRESSAVG: 3452600 8.04451 71.868 4.50377 75.9406 -76.7881 -2.29478 5.81998 -1.09654 44.582 TIMING: 3452600 CPU: 10277.3, 0.00298896/step Wall: 10277.3, 0.00298896/step, 1.28476 hours remaining, 207.886719 MB of memory in use. ENERGY: 3452600 806.5537 2147.2794 1890.8245 118.5219 -206266.2360 17930.9199 0.0000 0.0000 34236.6115 -149135.5250 298.9968 -183372.1365 -149033.0031 299.8636 -20.7153 12.5297 557141.3525 -8.0700 -8.0538 PRESSURE: 3452800 -16.786 -36.0504 -209.306 -36.0513 1.36126 96.3759 -209.305 96.3751 -240.523 GPRESSURE: 3452800 23.3219 -72.7177 -198.972 1.15419 24.0873 89.027 -170.605 38.2579 -219.187 PRESSAVG: 3452800 51.8659 31.0115 7.37711 31.0115 -24.4755 -44.7962 7.37714 -44.7961 -50.3378 GPRESSAVG: 3452800 53.9778 33.9695 7.84834 30.1285 -25.8064 -44.2867 7.18549 -45.3936 -50.6071 TIMING: 3452800 CPU: 10277.9, 0.00296173/step Wall: 10277.9, 0.00296173/step, 1.27289 hours remaining, 207.886719 MB of memory in use. ENERGY: 3452800 780.0021 2192.8197 1931.2951 112.6929 -205991.5276 17638.6591 0.0000 0.0000 34154.1251 -149181.9337 298.2765 -183336.0587 -149087.7961 299.8739 -85.3158 -57.2593 556634.1851 -7.6491 -7.4785 PRESSURE: 3453000 111.461 -26.4019 -8.39305 -26.4021 -180.627 -76.2701 -8.39308 -76.2703 -189.944 GPRESSURE: 3453000 200.653 -32.0265 -62.3811 -71.8873 -192.501 -75.909 90.7057 -32.1332 -169.378 PRESSAVG: 3453000 72.213 24.0541 33.485 24.0541 -83.6147 4.70564 33.4852 4.70571 21.2834 GPRESSAVG: 3453000 71.021 23.2484 33.0263 23.6812 -82.1319 2.96841 33.4092 5.04569 20.596 TIMING: 3453000 CPU: 10278.5, 0.00295325/step Wall: 10278.5, 0.00295325/step, 1.26908 hours remaining, 207.886719 MB of memory in use. ENERGY: 3453000 780.6308 2109.9765 1949.9265 124.9596 -205971.7719 17503.9222 0.0000 0.0000 34307.6103 -149194.7460 299.6169 -183502.3563 -149097.0501 299.8488 -86.3698 -53.7418 555649.7938 3.2939 3.1617 PRESSURE: 3453200 24.6296 -13.3487 130.709 -13.3496 140.454 -35.6776 130.708 -35.6762 -5.22393 GPRESSURE: 3453200 121.405 -5.3147 236.772 15.3763 186.183 -34.7987 34.0293 26.2467 -34.7063 PRESSAVG: 3453200 16.8589 -45.2636 7.81851 -45.2635 -65.1197 -51.0898 7.81856 -51.0898 -44.5086 GPRESSAVG: 3453200 16.085 -45.502 8.52142 -47.3842 -65.1909 -50.0365 8.20499 -51.6744 -43.3038 TIMING: 3453200 CPU: 10279.1, 0.00293077/step Wall: 10279.1, 0.00293077/step, 1.25925 hours remaining, 207.886719 MB of memory in use. ENERGY: 3453200 762.7680 2122.1965 1916.6774 103.9252 -206235.4203 17878.0857 0.0000 0.0000 34191.6711 -149260.0964 298.6044 -183451.7675 -149159.7579 299.7461 53.2865 90.9604 555910.3076 -30.9231 -30.8032 PRESSURE: 3453400 178.14 41.226 18.7295 41.2252 19.6264 -42.1482 18.7295 -42.1496 -162.041 GPRESSURE: 3453400 238.088 16.2426 -39.0403 -5.89291 2.7658 -27.0072 73.7752 -56.1144 -100.571 PRESSAVG: 3453400 15.9079 -67.5033 26.3555 -67.5033 11.8745 -130.458 26.3556 -130.458 10.095 GPRESSAVG: 3453400 17.1222 -67.2796 26.8018 -66.4385 11.2338 -132.127 25.6329 -130.63 9.29004 TIMING: 3453400 CPU: 10279.7, 0.00293334/step Wall: 10279.7, 0.00293334/step, 1.2602 hours remaining, 207.886719 MB of memory in use. ENERGY: 3453400 770.1499 2046.0188 1911.4303 111.5128 -206252.9555 17721.7546 0.0000 0.0000 34447.3745 -149244.7147 300.8375 -183692.0892 -149145.1748 299.3242 11.9086 46.7612 556712.3890 12.6258 12.5487 PRESSURE: 3453600 -273.797 73.0626 -164.647 73.064 -134.217 -58.4336 -164.647 -58.4333 134.331 GPRESSURE: 3453600 -238.717 102.818 -120.225 67.4612 -61.8733 -42.0353 -234.216 -77.201 124.078 PRESSAVG: 3453600 29.2608 69.5216 0.172006 69.5215 -65.3604 -76.1778 0.171975 -76.1777 35.4453 GPRESSAVG: 3453600 28.637 68.9382 1.82845 69.5153 -64.8625 -75.5967 -2.13379 -74.8433 35.8549 TIMING: 3453600 CPU: 10280.3, 0.00296068/step Wall: 10280.3, 0.00296068/step, 1.27178 hours remaining, 207.886719 MB of memory in use. ENERGY: 3453600 780.4482 2128.3556 1918.5201 129.2722 -206215.6850 17729.6071 0.0000 0.0000 34338.2527 -149191.2291 299.8845 -183529.4819 -149101.8180 299.7624 -91.2277 -58.8376 557561.2796 -0.2181 -0.1235 PRESSURE: 3453800 -47.9875 -95.4478 -37.341 -95.448 35.9473 -60.2698 -37.3408 -60.2698 160.977 GPRESSURE: 3453800 -51.4798 -94.3736 14.2262 -90.6907 107.836 -38.5254 -116.018 -106.539 192.623 PRESSAVG: 3453800 -22.7649 43.683 29.6933 43.6829 -0.118996 -30.0775 29.6933 -30.0775 57.2769 GPRESSAVG: 3453800 -22.931 43.0985 25.8704 43.5756 -0.426366 -29.4395 33.0695 -30.327 57.8615 TIMING: 3453800 CPU: 10280.9, 0.00296284/step Wall: 10280.9, 0.00296284/step, 1.27254 hours remaining, 207.886719 MB of memory in use. ENERGY: 3453800 749.6557 2071.4232 1921.1697 114.0167 -206155.6375 17926.8362 0.0000 0.0000 34446.7577 -148925.7783 300.8321 -183372.5360 -148833.6215 300.5954 49.6457 82.9930 558039.5076 11.4643 11.5014 PRESSURE: 3454000 144.059 -183.167 54.5374 -183.168 70.4264 75.1098 54.5387 75.1097 -125.684 GPRESSURE: 3454000 169.086 -190.486 2.74777 -190.93 69.546 42.8898 86.0872 88.7011 -61.8573 PRESSAVG: 3454000 -33.2722 10.3046 -20.8945 10.3046 14.9455 -16.4324 -20.8946 -16.4323 15.7347 GPRESSAVG: 3454000 -32.451 12.9651 -18.1026 10.3196 13.5623 -15.7502 -22.7915 -18.1722 16.0337 TIMING: 3454000 CPU: 10281.4, 0.00296697/step Wall: 10281.4, 0.00296697/step, 1.27415 hours remaining, 207.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3454000 704.3737 2044.9679 1952.5943 113.0299 -205508.8924 17638.3442 0.0000 0.0000 34164.9832 -148890.5990 298.3713 -183055.5823 -148790.1886 300.0353 29.6007 58.9249 558523.1147 -0.8640 -0.9517 PRESSURE: 3454200 -56.7725 -21.2004 17.1872 -21.2007 -139.872 -60.2325 17.1886 -60.2348 -162.471 GPRESSURE: 3454200 -34.0528 14.1465 -8.61442 4.74246 -144.245 -12.514 30.4365 -173.233 -82.067 PRESSAVG: 3454200 14.4223 -59.0856 25.0122 -59.0856 2.96411 2.8481 25.0123 2.84797 -7.89126 GPRESSAVG: 3454200 13.0372 -60.751 23.5579 -58.2816 5.09266 3.07994 25.1883 3.47703 -8.77446 TIMING: 3454200 CPU: 10282, 0.00296713/step Wall: 10282, 0.00296713/step, 1.27405 hours remaining, 207.886719 MB of memory in use. ENERGY: 3454200 780.3193 2110.7738 1919.3478 107.0904 -205939.4808 17722.0433 0.0000 0.0000 34424.8983 -148875.0079 300.6412 -183299.9062 -148784.3417 299.9616 -119.7053 -86.7884 557840.9733 3.1650 3.1185 PRESSURE: 3454400 -126.861 32.4811 86.2041 32.4817 -82.837 -143.38 86.2035 -143.378 173.488 GPRESSURE: 3454400 -84.7136 -57.316 92.1352 139.914 -47.8627 -196.608 93.2802 -115.497 183.238 PRESSAVG: 3454400 -54.642 -17.4118 39.9879 -17.4119 18.4394 -48.3887 39.9879 -48.3886 -16.0821 GPRESSAVG: 3454400 -53.3127 -17.0446 41.1722 -19.9003 17.1462 -49.4192 38.4226 -47.1462 -16.418 TIMING: 3454400 CPU: 10282.6, 0.00300797/step Wall: 10282.6, 0.00300797/step, 1.29142 hours remaining, 207.886719 MB of memory in use. ENERGY: 3454400 748.8221 2109.4564 1937.8012 112.3532 -205697.4185 17575.7066 0.0000 0.0000 34479.3049 -148733.9741 301.1163 -183213.2790 -148636.8973 299.6336 -12.0700 16.8871 557670.1582 -17.4282 -17.5282 PRESSURE: 3454600 -16.194 126.147 68.033 126.148 165.901 6.17882 68.0325 6.1782 99.2521 GPRESSURE: 3454600 -10.7016 93.9302 16.9404 183.771 216.812 68.5495 86.6522 20.3329 132.927 PRESSAVG: 3454600 -24.3348 -15.8882 -27.2835 -15.8882 13.8122 12.5248 -27.2834 12.5248 26.335 GPRESSAVG: 3454600 -24.686 -15.5284 -28.8569 -15.6116 14.3905 11.2679 -24.3455 12.9949 26.1006 TIMING: 3454600 CPU: 10283.2, 0.00293987/step Wall: 10283.2, 0.00293987/step, 1.26202 hours remaining, 207.886719 MB of memory in use. ENERGY: 3454600 777.4985 2090.1810 1930.4052 117.9914 -206071.8914 17833.1774 0.0000 0.0000 34430.0132 -148892.6246 300.6859 -183322.6378 -148796.2823 300.5305 82.9865 113.0124 556891.7190 5.2708 5.2684 PRESSURE: 3454800 -3.93664 184.47 -71.9499 184.469 38.3179 15.1747 -71.9506 15.1752 -6.07519 GPRESSURE: 3454800 -31.5729 164.369 -30.2931 229.382 85.4066 -2.43491 -113.268 9.34866 79.6725 PRESSAVG: 3454800 -57.1189 24.6312 56.7992 24.6312 24.0205 6.36973 56.7993 6.36973 10.8039 GPRESSAVG: 3454800 -58.6042 23.3659 58.8278 25.3121 24.4386 7.64479 54.8464 5.62717 11.7389 TIMING: 3454800 CPU: 10283.8, 0.00294181/step Wall: 10283.8, 0.00294181/step, 1.26269 hours remaining, 207.886719 MB of memory in use. ENERGY: 3454800 749.2027 2140.6672 1898.1930 131.2826 -205946.9987 17590.1548 0.0000 0.0000 34565.3731 -148872.1252 301.8680 -183437.4983 -148776.1874 300.2218 9.4354 44.5021 556677.2752 -7.4315 -7.4756 PRESSURE: 3455000 -344.52 147.367 67.7469 147.368 6.43809 44.8464 67.7472 44.8455 -23.1452 GPRESSURE: 3455000 -299.122 151.241 16.9288 174.097 52.9951 135.665 72.6835 -67.478 -8.17283 PRESSAVG: 3455000 -64.9831 57.7833 37.9627 57.7835 80.0111 13.8696 37.9627 13.8698 10.3189 GPRESSAVG: 3455000 -63.8919 58.5864 35.4856 57.9247 80.0657 13.4504 38.8751 13.2546 9.87418 TIMING: 3455000 CPU: 10284.4, 0.00295228/step Wall: 10284.4, 0.00295228/step, 1.26702 hours remaining, 207.886719 MB of memory in use. ENERGY: 3455000 779.0881 2084.7057 1932.1563 114.9306 -205798.2400 17704.8992 0.0000 0.0000 34315.6688 -148866.7913 299.6873 -183182.4601 -148774.4720 300.6108 -120.4092 -84.7664 558529.4430 8.4490 8.6827 PRESSURE: 3455200 97.1932 -24.6266 87.7795 -24.6274 70.7076 112.738 87.7806 112.739 -81.1552 GPRESSURE: 3455200 157.111 45.9462 82.9785 -107.892 110.772 192.134 158.999 33.7612 -64.9945 PRESSAVG: 3455200 20.058 14.8837 38.2887 14.8839 38.4087 -0.895572 38.2888 -0.895453 -40.9489 GPRESSAVG: 3455200 19.1419 13.8255 39.881 14.6447 38.3959 -3.20317 38.4155 2.01157 -40.3117 TIMING: 3455200 CPU: 10285, 0.00295449/step Wall: 10285, 0.00295449/step, 1.2678 hours remaining, 207.886719 MB of memory in use. ENERGY: 3455200 752.4249 2055.5345 1933.3380 118.9838 -206036.9317 17685.4426 0.0000 0.0000 34565.5253 -148925.6827 301.8693 -183491.2079 -148822.1620 299.9666 28.9152 67.6294 556273.3719 5.8393 5.7420 PRESSURE: 3455400 -49.7802 -127.574 75.3248 -127.574 3.91036 -78.0304 75.3247 -78.0302 34.7358 GPRESSURE: 3455400 -38.6885 -89.4228 80.1565 -114.316 79.3512 -108.353 46.0166 -70.6875 40.2192 PRESSAVG: 3455400 -5.75581 -30.5078 26.2969 -30.5079 30.2482 -0.303931 26.297 -0.303944 -45.2775 GPRESSAVG: 3455400 -4.39134 -30.8749 24.6117 -30.1751 30.626 3.29595 25.1157 -3.06055 -46.9133 TIMING: 3455400 CPU: 10285.6, 0.00292948/step Wall: 10285.6, 0.00292948/step, 1.25691 hours remaining, 207.886719 MB of memory in use. ENERGY: 3455400 774.1686 2120.5612 1946.8610 114.1406 -205878.1378 17871.9940 0.0000 0.0000 34191.0090 -148859.4032 298.5986 -183050.4123 -148767.5676 299.3535 -3.7113 26.9606 557852.8909 -6.9284 -6.8929 PRESSURE: 3455600 -60.5702 -75.7646 87.4503 -75.7647 -254.855 -107.425 87.451 -107.427 34.6226 GPRESSURE: 3455600 -8.24791 -72.8455 94.6554 -31.6564 -237.387 -172.374 16.33 -44.4248 59.159 PRESSAVG: 3455600 -25.7235 -33.288 18.3233 -33.2881 48.7204 -25.9468 18.3232 -25.9469 31.2778 GPRESSAVG: 3455600 -27.0584 -33.2657 19.278 -32.1628 49.4084 -27.4541 18.1619 -24.5197 32.0408 TIMING: 3455600 CPU: 10286.2, 0.00295311/step Wall: 10286.2, 0.00295311/step, 1.26689 hours remaining, 207.886719 MB of memory in use. ENERGY: 3455600 726.5259 2091.7091 1942.1852 123.2702 -205391.1444 17395.4743 0.0000 0.0000 34386.4032 -148725.5765 300.3050 -183111.9797 -148630.3986 300.7814 -93.6010 -62.1587 557797.1166 18.0916 18.1303 PRESSURE: 3455800 62.8922 76.4116 20.2727 76.4111 99.6063 42.4482 20.2721 42.45 353.414 GPRESSURE: 3455800 135.608 73.9209 26.8583 127.938 70.9258 159.236 -20.4145 -8.42126 386.816 PRESSAVG: 3455800 47.1769 29.7602 31.7177 29.7602 -80.5153 -28.658 31.7176 -28.658 29.8624 GPRESSAVG: 3455800 48.7113 30.3544 32.7195 28.3863 -82.2061 -27.6029 30.847 -29.851 30.4329 TIMING: 3455800 CPU: 10286.8, 0.00296456/step Wall: 10286.8, 0.00296456/step, 1.27163 hours remaining, 207.886719 MB of memory in use. ENERGY: 3455800 712.4598 2091.9912 1957.6944 110.8796 -206224.0129 17974.9521 0.0000 0.0000 34352.9565 -149023.0792 300.0129 -183376.0357 -148927.5885 299.5238 171.9709 197.7834 557501.9731 -1.1587 -1.0206 PRESSURE: 3456000 51.6773 22.4547 73.8335 22.4531 -157.41 -96.4928 73.833 -96.4919 -190.301 GPRESSURE: 3456000 39.2907 -13.9735 28.1653 -11.7148 -76.8064 -124.697 136.421 -59.0791 -157.391 PRESSAVG: 3456000 29.1226 -2.22843 -14.3065 -2.22842 -27.3759 32.1645 -14.3066 32.1646 -12.8364 GPRESSAVG: 3456000 29.0576 -2.55698 -14.6762 -1.37517 -27.2244 31.3188 -13.3363 31.427 -12.429 TIMING: 3456000 CPU: 10287.4, 0.00294079/step Wall: 10287.4, 0.00294079/step, 1.26127 hours remaining, 207.886719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3456000 730.3180 2086.1231 1949.2587 108.5954 -206222.1908 17976.4515 0.0000 0.0000 34346.9613 -149024.4828 299.9606 -183371.4441 -148918.6039 299.5259 -98.6780 -64.9690 557999.3695 -3.6966 -3.5319 PRESSURE: 3456200 -72.2534 -10.2721 -27.7873 -10.272 0.874306 -0.395755 -27.7877 -0.395428 -108.78 GPRESSURE: 3456200 -14.7601 -48.6103 -123.842 -22.7091 39.6089 -27.3396 5.49332 -0.476846 -101.703 PRESSAVG: 3456200 60.6542 12.9736 2.19671 12.9736 -2.17195 -59.3271 2.19672 -59.327 -36.8191 GPRESSAVG: 3456200 60.362 14.1682 1.29787 12.5953 -0.730948 -57.8532 2.5992 -59.1231 -38.0327 TIMING: 3456200 CPU: 10288, 0.00297009/step Wall: 10288, 0.00297009/step, 1.27367 hours remaining, 207.886719 MB of memory in use. ENERGY: 3456200 741.9224 2089.8443 1934.8542 115.0149 -206080.7305 17701.0343 0.0000 0.0000 34353.6108 -149144.4496 300.0186 -183498.0604 -149050.3826 299.9624 -60.0530 -25.6179 558365.1315 7.2211 7.1995 LDB: ============= START OF LOAD BALANCING ============== 10291.5 LDB: ============== END OF LOAD BALANCING =============== 10291.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10291.5 LDB: ============= START OF LOAD BALANCING ============== 10291.8 LDB: Largest compute 4801 load 0.024115 is 20.4% of average load 0.118255 LDB: Average compute 0.001721 is 1.5% of average load 0.118255 LDB: TIME 10291.8 LOAD: AVG 0.118255 MAX 0.199249 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.621 MB LDB: TIME 10291.8 LOAD: AVG 0.118255 MAX 0.199249 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: TIME 10291.8 LOAD: AVG 0.118255 MAX 0.199249 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10291.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10291.8 PRESSURE: 3456400 -209.508 44.5437 -92.4404 44.5434 69.3576 140.497 -92.4396 140.498 252.94 GPRESSURE: 3456400 -148.655 -27.6551 -44.9686 104.7 143.947 228.032 -188.392 170.886 228.874 PRESSAVG: 3456400 -4.06472 -49.2783 8.36195 -49.2783 59.9626 -6.2413 8.36197 -6.24129 -1.22682 GPRESSAVG: 3456400 -4.44346 -51.3397 8.7511 -49.6327 59.2451 -6.75298 7.94971 -5.66951 -0.654942 TIMING: 3456400 CPU: 10288.6, 0.00302158/step Wall: 10288.6, 0.00302158/step, 1.29559 hours remaining, 206.164062 MB of memory in use. ENERGY: 3456400 755.5584 2059.9730 1941.7187 112.7264 -206514.5764 17825.0131 0.0000 0.0000 34534.8492 -149284.7376 301.6014 -183819.5868 -149193.0539 300.0527 37.5966 74.7220 556413.0113 18.2237 18.0489 PRESSURE: 3456600 59.743 147.366 88.7007 147.366 -98.4578 -35.7837 88.7012 -35.7827 -67.1133 GPRESSURE: 3456600 64.4563 109.889 50.169 164.165 -38.1103 -41.1102 12.662 66.4189 -38.1336 PRESSAVG: 3456600 28.2116 -33.6914 1.59684 -33.6915 3.2344 -4.58867 1.59684 -4.58867 -5.05585 GPRESSAVG: 3456600 28.7628 -33.3943 2.642 -32.145 3.56168 -4.94319 0.961618 -3.8364 -5.57188 TIMING: 3456600 CPU: 10289.1, 0.00296302/step Wall: 10289.1, 0.00296302/step, 1.27031 hours remaining, 206.164062 MB of memory in use. ENERGY: 3456600 693.0675 2055.3627 1942.3564 111.4905 -206013.3574 17712.7873 0.0000 0.0000 34149.9558 -149348.3372 298.2401 -183498.2930 -149254.5359 299.1975 -35.2760 -3.9292 556973.3663 8.7967 8.9175 PRESSURE: 3456800 15.8194 5.44756 -73.9464 5.44826 -25.7424 -45.5513 -73.9482 -45.5522 -126.489 GPRESSURE: 3456800 91.6382 -45.5507 -31.9299 -70.2833 -0.75852 17.6279 -86.4985 -73.5474 -123.783 PRESSAVG: 3456800 81.8935 -39.9821 -0.665251 -39.9821 -40.6654 3.63292 -0.665272 3.63293 -15.7245 GPRESSAVG: 3456800 82.1746 -39.3139 -1.75624 -43.1593 -40.9789 2.18218 -0.661415 3.5668 -16.0733 TIMING: 3456800 CPU: 10289.7, 0.00294355/step Wall: 10289.7, 0.00294355/step, 1.2618 hours remaining, 206.164062 MB of memory in use. ENERGY: 3456800 724.1874 2009.7509 1955.9067 117.9349 -206223.7992 17734.3178 0.0000 0.0000 34259.0675 -149422.6340 299.1930 -183681.7016 -149320.6495 298.8901 -45.4707 -10.9677 555647.5959 8.5012 8.3741 PRESSURE: 3457000 -10.1254 -41.153 -124.096 -41.1526 176.967 -75.1871 -124.095 -75.1874 -292.582 GPRESSURE: 3457000 76.1261 41.5307 -163.562 -66.9135 147.001 -47.7216 -101.905 -89.2179 -245.266 PRESSAVG: 3457000 -23.7232 -14.6701 -43.7762 -14.6702 47.2119 -16.2183 -43.7762 -16.2183 -40.8773 GPRESSAVG: 3457000 -23.4304 -13.8559 -44.7313 -14.4364 46.4746 -16.199 -43.1436 -15.9846 -40.6778 TIMING: 3457000 CPU: 10290.3, 0.00292979/step Wall: 10290.3, 0.00292979/step, 1.25574 hours remaining, 206.164062 MB of memory in use. ENERGY: 3457000 741.2390 2127.2731 1945.7482 110.8874 -206491.0478 17766.1735 0.0000 0.0000 34430.9548 -149368.7718 300.6941 -183799.7266 -149269.5729 298.7907 -41.9135 -7.3795 556080.9388 -5.7962 -5.8779 PRESSURE: 3457200 -24.9822 -135.497 46.9799 -135.496 302.817 -148.005 46.9792 -148.005 -30.7962 GPRESSURE: 3457200 -27.5361 -69.5387 95.5007 -141.646 349.497 -132.833 63.2185 -181.675 15.0884 PRESSAVG: 3457200 22.9722 -7.12567 29.9833 -7.1257 7.17181 -57.089 29.9832 -57.0891 -12.1972 GPRESSAVG: 3457200 21.365 -8.50728 31.428 -6.46643 7.61992 -56.4019 29.4415 -56.5775 -11.5338 TIMING: 3457200 CPU: 10290.9, 0.00294017/step Wall: 10290.9, 0.00294017/step, 1.26003 hours remaining, 206.164062 MB of memory in use. ENERGY: 3457200 750.1689 2093.6893 1939.4094 108.4378 -206296.6318 18083.4896 0.0000 0.0000 34070.6460 -149250.7908 297.5474 -183321.4368 -149156.4939 298.8444 82.3463 112.3496 556680.7419 5.9823 5.8171 PRESSURE: 3457400 -6.72705 18.4328 27.9284 18.4318 -257.599 -17.8319 27.9271 -17.8334 -327.939 GPRESSURE: 3457400 -10.089 61.9443 39.6946 -16.3575 -193.075 4.45402 39.1402 -28.1147 -299.927 PRESSAVG: 3457400 -21.2662 20.2929 33.5543 20.2929 8.42832 -9.30543 33.5544 -9.3054 -13.2142 GPRESSAVG: 3457400 -21.5056 22.0285 34.0686 18.7412 8.27396 -7.41521 33.4843 -10.2968 -12.8931 TIMING: 3457400 CPU: 10291.5, 0.00294481/step Wall: 10291.5, 0.00294481/step, 1.26185 hours remaining, 206.164062 MB of memory in use. ENERGY: 3457400 772.5442 2119.8981 1962.3514 114.6326 -206085.1015 17568.9442 0.0000 0.0000 34287.9028 -149258.8282 299.4448 -183546.7309 -149164.5309 298.8872 -197.4216 -167.6968 559085.1238 -8.6840 -8.7082 PRESSURE: 3457600 -122.455 3.22343 -122.893 3.22323 -150.891 -52.0917 -122.894 -52.0933 41.6148 GPRESSURE: 3457600 -45.828 -7.83778 -64.1272 31.4702 -129.815 25.3092 -78.1841 -65.8373 47.0129 PRESSAVG: 3457600 -3.23574 23.8954 27.397 23.8954 -3.96956 -12.9684 27.3969 -12.9685 -27.0317 GPRESSAVG: 3457600 -1.84079 24.1872 26.3693 24.9604 -3.96247 -14.305 29.3247 -14.286 -28.5211 TIMING: 3457600 CPU: 10292.1, 0.00294652/step Wall: 10292.1, 0.00294652/step, 1.26242 hours remaining, 206.164062 MB of memory in use. ENERGY: 3457600 745.0250 2108.5346 1933.6385 113.8469 -206192.9035 17736.5334 0.0000 0.0000 34298.7704 -149256.5548 299.5397 -183555.3252 -149160.4924 298.9968 -77.2438 -42.8768 556763.5976 -11.4123 -11.4415 PRESSURE: 3457800 255.713 40.1087 -32.5592 40.1072 66.8836 -80.6215 -32.5599 -80.6219 151.415 GPRESSURE: 3457800 290.175 20.4418 -110.112 66.6828 80.2112 -153.332 -30.1369 -163.456 192.492 PRESSAVG: 3457800 54.4224 37.0397 -10.4809 37.0396 -35.4371 10.8783 -10.481 10.8783 16.2179 GPRESSAVG: 3457800 54.4444 36.0524 -8.66043 35.9511 -35.5366 10.2761 -11.204 10.6918 16.2301 TIMING: 3457800 CPU: 10292.7, 0.00296236/step Wall: 10292.7, 0.00296236/step, 1.26904 hours remaining, 206.164062 MB of memory in use. ENERGY: 3457800 742.7764 2100.6144 1938.8572 103.1696 -206488.4705 17980.7245 0.0000 0.0000 34148.0864 -149474.2420 298.2237 -183622.3284 -149379.0280 298.6557 158.0036 187.6260 556272.9215 11.7344 11.7126 PRESSURE: 3458000 185.387 -40.4097 -4.16799 -40.4095 212.146 -46.0995 -4.16837 -46.099 206.929 GPRESSURE: 3458000 191.635 -74.2818 -25.0784 -12.9924 278.069 -12.898 -42.4933 -30.7527 233.951 PRESSAVG: 3458000 -11.3946 -31.1728 -26.1281 -31.1728 0.488688 20.3067 -26.1281 20.3067 5.98646 GPRESSAVG: 3458000 -11.8596 -33.0269 -27.3186 -28.3678 1.17585 19.0813 -27.5632 24.1904 6.11375 TIMING: 3458000 CPU: 10293.3, 0.00295009/step Wall: 10293.3, 0.00295009/step, 1.26362 hours remaining, 206.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3458000 703.9215 2078.9199 1936.0261 118.8435 -206708.1741 18181.8010 0.0000 0.0000 34260.9239 -149427.7382 299.2092 -183688.6621 -149320.9566 298.7449 201.4872 234.5516 556252.0951 -1.6398 -1.5233 PRESSURE: 3458200 58.5772 -23.4011 193.792 -23.4002 -44.8784 83.7607 193.792 83.7609 -223.797 GPRESSURE: 3458200 33.7411 -14.1214 193.42 18.9972 -5.01115 45.6938 273.401 45.2265 -140.556 PRESSAVG: 3458200 -29.3085 -15.1185 15.3438 -15.1186 25.0207 12.8299 15.3438 12.8299 4.71316 GPRESSAVG: 3458200 -28.7643 -13.5501 14.5251 -17.1927 25.1516 13.8004 16.599 9.78538 3.74718 TIMING: 3458200 CPU: 10293.9, 0.0029615/step Wall: 10293.9, 0.0029615/step, 1.26834 hours remaining, 206.164062 MB of memory in use. ENERGY: 3458200 737.7359 2072.6829 1948.2345 128.3622 -206423.1000 17829.1140 0.0000 0.0000 34050.4388 -149656.5317 297.3710 -183706.9705 -149559.3972 297.9278 -70.0327 -37.2754 557065.0020 0.1418 0.0448 PRESSURE: 3458400 -11.8192 27.4513 -23.0931 27.4512 22.712 21.6469 -23.0936 21.644 -20.4795 GPRESSURE: 3458400 7.5109 33.9617 -41.4931 39.2077 20.8291 13.7199 15.3106 92.8579 60.7703 PRESSAVG: 3458400 -65.2526 -57.0947 15.3618 -57.0947 7.1774 10.2845 15.3618 10.2845 60.6676 GPRESSAVG: 3458400 -66.2031 -57.7426 13.6052 -56.1789 7.3998 11.8468 17.3799 11.9666 61.5641 TIMING: 3458400 CPU: 10294.5, 0.00300098/step Wall: 10294.5, 0.00300098/step, 1.28509 hours remaining, 206.164062 MB of memory in use. ENERGY: 3458400 730.8266 2022.0460 1942.8601 109.3415 -206556.3288 17965.5292 0.0000 0.0000 34183.6849 -149602.0406 298.5346 -183785.7254 -149497.5455 298.2328 -3.1955 29.7034 558197.1046 0.8641 0.9203 PRESSURE: 3458600 -57.1207 12.1183 186.401 12.1183 49.6746 -253.533 186.401 -253.532 -106.734 GPRESSURE: 3458600 3.80676 34.2597 158.542 -50.7889 47.8608 -186.05 141.349 -298.252 -65.3573 PRESSAVG: 3458600 -24.9224 -17.4703 -16.412 -17.4704 -14.5762 -8.95089 -16.412 -8.95085 64.711 GPRESSAVG: 3458600 -23.7396 -16.6316 -13.6175 -16.6398 -15.1371 -8.56681 -19.2882 -10.96 64.9853 TIMING: 3458600 CPU: 10295.1, 0.003008/step Wall: 10295.1, 0.003008/step, 1.28792 hours remaining, 206.164062 MB of memory in use. ENERGY: 3458600 771.5348 2074.0399 1947.0043 106.1047 -206257.8646 17736.5394 0.0000 0.0000 34071.1035 -149551.5382 297.5514 -183622.6416 -149447.9569 298.2213 -38.0600 -4.5632 559036.4614 8.4041 8.7029 PRESSURE: 3458800 -144.367 -56.5905 -2.25461 -56.5912 -20.6059 -152.062 -2.25498 -152.062 -190.749 GPRESSURE: 3458800 -117.761 -23.7912 7.6713 -51.9715 -54.4697 -125.263 40.181 -55.2234 -89.5012 PRESSAVG: 3458800 47.8456 -38.4972 -5.52561 -38.497 -39.456 -0.933158 -5.52565 -0.933154 -27.7 GPRESSAVG: 3458800 46.5862 -37.5864 -5.72464 -39.8024 -38.8714 -2.7927 -4.61706 2.95367 -27.3522 TIMING: 3458800 CPU: 10295.7, 0.00296964/step Wall: 10295.7, 0.00296964/step, 1.27134 hours remaining, 206.164062 MB of memory in use. ENERGY: 3458800 796.7050 2061.7665 1941.4779 108.6063 -206384.8916 17673.9750 0.0000 0.0000 34337.9759 -149464.3852 299.8821 -183802.3611 -149368.9140 298.2954 -118.5740 -87.2439 557591.0895 -6.4368 -6.5458 PRESSURE: 3459000 -45.9531 -12.169 66.1667 -12.1684 152.569 21.4349 66.1664 21.435 231.106 GPRESSURE: 3459000 -28.6036 25.2111 117.919 -83.0236 185.85 31.3611 21.7615 -31.8159 273.117 PRESSAVG: 3459000 -12.8744 -27.801 -4.54741 -27.8011 14.2164 13.9815 -4.54736 13.9814 3.10039 GPRESSAVG: 3459000 -12.6771 -27.791 -3.7877 -27.8234 13.0077 14.2608 -5.64695 12.5505 3.60658 TIMING: 3459000 CPU: 10296.2, 0.00295483/step Wall: 10296.2, 0.00295483/step, 1.26483 hours remaining, 206.164062 MB of memory in use. ENERGY: 3459000 746.7477 2095.3268 1977.9718 115.5926 -206903.5713 18133.2287 0.0000 0.0000 34335.9028 -149498.8008 299.8640 -183834.7036 -149396.6386 298.6159 112.5741 143.4542 556426.1067 1.4808 1.3124 PRESSURE: 3459200 -183.984 -146.682 -71.3057 -146.682 -97.7754 -65.5824 -71.306 -65.5808 42.7007 GPRESSURE: 3459200 -120.375 -196.743 -109.111 -249.871 -61.6791 -108.849 2.15404 -52.1279 31.9306 PRESSAVG: 3459200 -17.8589 -34.4902 -35.0157 -34.4902 2.85844 32.5676 -35.0156 32.5677 35.4161 GPRESSAVG: 3459200 -17.8225 -34.399 -35.988 -32.4074 3.6287 32.2087 -32.1044 30.7265 34.813 TIMING: 3459200 CPU: 10296.8, 0.00294725/step Wall: 10296.8, 0.00294725/step, 1.26142 hours remaining, 206.164062 MB of memory in use. ENERGY: 3459200 742.8937 2062.9063 1958.5673 114.4128 -206299.1530 17782.8005 0.0000 0.0000 34216.8370 -149420.7355 298.8241 -183637.5726 -149324.8235 298.8998 -79.6861 -50.0413 558342.9472 6.8052 6.8731 PRESSURE: 3459400 74.5379 16.3977 -28.6694 16.397 34.2645 2.21717 -28.6702 2.21775 -123.127 GPRESSURE: 3459400 90.8782 -19.8255 -7.96987 39.1603 87.176 80.1237 5.69284 21.5574 -103.901 PRESSAVG: 3459400 25.545 -48.2514 -36.931 -48.2514 16.59 -12.5658 -36.931 -12.5658 -2.94222 GPRESSAVG: 3459400 24.9 -49.5151 -37.3071 -49.6685 16.7089 -10.6368 -38.7423 -12.3171 -2.4098 TIMING: 3459400 CPU: 10297.4, 0.00299619/step Wall: 10297.4, 0.00299619/step, 1.2822 hours remaining, 206.164062 MB of memory in use. ENERGY: 3459400 752.4686 2094.7314 1944.6775 106.4804 -206601.8969 18106.5814 0.0000 0.0000 34303.2236 -149293.7341 299.5786 -183596.9577 -149192.8245 299.1236 -4.7750 24.7178 557030.6975 13.0643 13.0664 PRESSURE: 3459600 -10.1453 -114.479 -116.125 -114.478 147.372 11.9635 -116.125 11.9638 -300.266 GPRESSURE: 3459600 38.0289 -2.5127 -109.559 -150.517 115.356 67.9508 -126.683 -71.3394 -220.664 PRESSAVG: 3459600 13.0732 -6.776 23.7492 -6.776 22.486 56.9444 23.7493 56.9445 -72.0924 GPRESSAVG: 3459600 14.023 -4.58968 22.9275 -8.39067 22.6062 54.755 24.7655 57.0212 -72.7949 TIMING: 3459600 CPU: 10298, 0.00296548/step Wall: 10298, 0.00296548/step, 1.2689 hours remaining, 206.164062 MB of memory in use. ENERGY: 3459600 770.6686 2068.3976 1923.8279 117.8351 -206148.2550 17815.3071 0.0000 0.0000 34133.5891 -149318.6296 298.0971 -183452.2187 -149220.3331 298.3285 -54.3466 -22.4266 557499.0354 -12.1778 -12.0552 PRESSURE: 3459800 56.7244 -103.722 9.34298 -103.721 -172.522 -62.2151 9.344 -62.2157 -0.475218 GPRESSURE: 3459800 114.274 -71.8246 55.6654 -155.578 -124.109 -48.5723 -26.697 -125.958 0.700033 PRESSAVG: 3459800 -54.969 -9.6102 16.7376 -9.61019 91.4989 7.61605 16.7376 7.61602 -4.60435 GPRESSAVG: 3459800 -53.8866 -9.96384 17.5518 -8.69802 90.5272 9.71573 16.6109 6.98053 -4.82054 TIMING: 3459800 CPU: 10298.6, 0.00296719/step Wall: 10298.6, 0.00296719/step, 1.26946 hours remaining, 206.164062 MB of memory in use. ENERGY: 3459800 728.9056 2073.2327 1935.8064 107.3962 -206345.4186 17768.8745 0.0000 0.0000 34349.1908 -149382.0124 299.9800 -183731.2032 -149282.9373 299.2525 -38.7577 -3.0449 555846.6747 10.6418 10.6067 PRESSURE: 3460000 -98.8391 61.2412 57.5458 61.2413 -84.724 -42.8248 57.545 -42.8256 68.0755 GPRESSURE: 3460000 -68.1835 -32.9295 132.876 97.9089 -80.711 -21.4065 3.1928 -25.691 125.758 PRESSAVG: 3460000 7.76295 -39.8225 46.267 -39.8224 31.0117 24.8413 46.267 24.8412 -9.37944 GPRESSAVG: 3460000 6.86865 -41.4319 45.9934 -39.7897 31.4951 25.6273 46.1413 24.5819 -8.89943 TIMING: 3460000 CPU: 10299.2, 0.00293985/step Wall: 10299.2, 0.00293985/step, 1.2576 hours remaining, 206.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3460000 716.7771 2105.6427 1916.2589 116.4947 -205637.5105 17433.0299 0.0000 0.0000 34050.1433 -149299.1639 297.3684 -183349.3072 -149206.0093 298.6375 -38.4959 -7.7122 556761.7899 9.7984 9.8214 PRESSURE: 3460200 -33.9695 11.7449 121.681 11.7445 -218.946 13.5171 121.682 13.5171 -39.9287 GPRESSURE: 3460200 29.4488 -44.6632 -10.766 -6.27088 -181.703 2.70724 157.857 62.8405 -39.9038 PRESSAVG: 3460200 30.5587 -24.4887 -9.56386 -24.4887 -9.56706 31.382 -9.56378 31.382 16.947 GPRESSAVG: 3460200 29.684 -22.4588 -9.55183 -26.8919 -8.55941 31.0346 -10.0149 31.1478 16.6763 TIMING: 3460200 CPU: 10299.8, 0.00293281/step Wall: 10299.8, 0.00293281/step, 1.25443 hours remaining, 206.164062 MB of memory in use. ENERGY: 3460200 756.8272 2010.7607 1916.5030 113.7184 -206055.2912 17553.8797 0.0000 0.0000 34423.3843 -149280.2179 300.6280 -183703.6022 -149188.8641 298.4924 -97.6148 -64.0528 556471.1165 12.6462 12.6003 LDB: ============= START OF LOAD BALANCING ============== 10303.3 LDB: ============== END OF LOAD BALANCING =============== 10303.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10303.3 LDB: ============= START OF LOAD BALANCING ============== 10303.6 LDB: Largest compute 4801 load 0.025646 is 21.7% of average load 0.118270 LDB: Average compute 0.001738 is 1.5% of average load 0.118270 LDB: TIME 10303.6 LOAD: AVG 0.11827 MAX 0.194497 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.211 MB LDB: TIME 10303.6 LOAD: AVG 0.11827 MAX 0.194497 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.414 MB LDB: TIME 10303.6 LOAD: AVG 0.11827 MAX 0.194497 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10303.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10303.7 PRESSURE: 3460400 107.443 73.7785 -33.5598 73.7792 -171.545 -123.103 -33.559 -123.102 -3.905 GPRESSURE: 3460400 125.843 116.37 -129.875 34.7389 -147.937 -145.919 134.78 -78.4594 45.1945 PRESSAVG: 3460400 66.548 -14.9317 -25.9676 -14.9318 16.2117 -29.0333 -25.9676 -29.0334 -94.1005 GPRESSAVG: 3460400 66.8911 -14.4018 -27.0353 -14.1008 14.492 -29.5158 -24.3124 -29.4606 -92.9126 TIMING: 3460400 CPU: 10300.4, 0.00300345/step Wall: 10300.4, 0.00300345/step, 1.28447 hours remaining, 206.988281 MB of memory in use. ENERGY: 3460400 715.3348 2081.0086 1960.5915 115.0944 -205934.4037 17602.9736 0.0000 0.0000 34021.7348 -149437.6660 297.1203 -183459.4008 -149344.1778 298.9411 -22.6687 7.7004 556873.4654 -3.7803 -3.8432 PRESSURE: 3460600 -8.21061 -50.9428 27.0534 -50.9431 56.6605 -39.5177 27.053 -39.5163 252.8 GPRESSURE: 3460600 42.178 -32.5008 -6.39216 28.4585 76.3573 -0.434739 -16.7529 -34.273 265.007 PRESSAVG: 3460600 48.7916 -18.9311 -1.93681 -18.931 -29.6907 -4.47125 -1.93682 -4.47118 -43.6352 GPRESSAVG: 3460600 47.5789 -20.8218 -1.33154 -16.9656 -29.6604 -3.22842 -2.1553 -4.50412 -43.1848 TIMING: 3460600 CPU: 10301, 0.00294043/step Wall: 10301, 0.00294043/step, 1.25736 hours remaining, 206.988281 MB of memory in use. ENERGY: 3460600 716.8345 2074.0833 1937.1728 101.3386 -206351.3931 17978.4746 0.0000 0.0000 34221.7809 -149321.7084 298.8673 -183543.4893 -149220.7825 298.7499 100.4166 127.8474 556433.5684 -8.1781 -8.4221 PRESSURE: 3460800 284.873 -138.299 -34.1611 -138.298 -285.783 -25.5736 -34.1612 -25.5728 18.0996 GPRESSURE: 3460800 253.419 -159.137 -11.3463 -78.9508 -253.348 3.63243 20.7071 14.3197 112.443 PRESSAVG: 3460800 52.0772 31.361 0.697716 31.3611 -38.5327 -29.5093 0.697807 -29.5091 -43.1063 GPRESSAVG: 3460800 52.5699 31.1413 -0.227362 32.9247 -36.8483 -30.9901 0.617361 -28.9502 -44.9533 TIMING: 3460800 CPU: 10301.6, 0.00294191/step Wall: 10301.6, 0.00294191/step, 1.25783 hours remaining, 206.988281 MB of memory in use. ENERGY: 3460800 747.8226 2124.1307 1917.0884 109.3080 -206090.8156 17824.0847 0.0000 0.0000 34083.8300 -149284.5512 297.6626 -183368.3812 -149187.8505 299.2425 5.7297 37.5045 557849.6999 -9.8539 -9.7439 PRESSURE: 3461000 -80.476 64.2818 13.5248 64.2814 -183.493 281.533 13.5247 281.531 -137.098 GPRESSURE: 3461000 -38.5027 118.356 -17.4539 63.1131 -166.766 246.711 62.6997 242.683 -97.427 PRESSAVG: 3461000 44.6745 9.23298 36.3775 9.233 -66.0869 42.1668 36.3775 42.1667 42.5201 GPRESSAVG: 3461000 46.3597 8.95543 39.4204 8.14927 -66.7342 42.4907 36.3538 42.7596 41.8553 TIMING: 3461000 CPU: 10302.2, 0.00294606/step Wall: 10302.2, 0.00294606/step, 1.25944 hours remaining, 206.988281 MB of memory in use. ENERGY: 3461000 753.1810 2039.2591 1942.3782 101.2504 -205944.8511 17577.2982 0.0000 0.0000 34402.0388 -149129.4454 300.4416 -183531.4843 -149032.2500 299.3897 -133.6890 -100.8985 558065.7877 7.0359 7.1603 PRESSURE: 3461200 -400.499 -114.965 -71.8143 -114.964 -276.355 -10.387 -71.8148 -10.3863 -0.602869 GPRESSURE: 3461200 -360.093 -121.121 -38.3974 -151.727 -230.79 -44.3204 -70.2252 1.55225 9.50839 PRESSAVG: 3461200 -33.2874 23.624 11.7154 23.6239 -38.6044 41.4608 11.7154 41.4608 95.5839 GPRESSAVG: 3461200 -33.3756 23.3428 9.4657 24.3102 -39.3702 40.3961 9.75485 40.6706 95.9942 TIMING: 3461200 CPU: 10302.8, 0.00298077/step Wall: 10302.8, 0.00298077/step, 1.27412 hours remaining, 206.988281 MB of memory in use. ENERGY: 3461200 708.4470 2071.1061 1947.2174 113.3532 -206016.7483 17618.0598 0.0000 0.0000 34318.7606 -149239.8043 299.7143 -183558.5649 -149142.4573 299.4108 -225.8192 -193.7914 559219.8084 7.8974 7.7495 PRESSURE: 3461400 62.7359 -92.8981 78.341 -92.8977 174.778 27.5976 78.3411 27.5968 -120.856 GPRESSURE: 3461400 49.3296 -89.4528 56.5698 -136.608 167.478 -25.9834 116.054 12.9687 18.9654 PRESSAVG: 3461400 31.908 6.2926 34.1274 6.29261 11.4991 45.3189 34.1273 45.319 -48.1948 GPRESSAVG: 3461400 30.8052 9.11537 36.2303 4.37499 12.8498 44.288 34.7034 46.5568 -47.498 TIMING: 3461400 CPU: 10303.3, 0.00293669/step Wall: 10303.3, 0.00293669/step, 1.25511 hours remaining, 206.988281 MB of memory in use. ENERGY: 3461400 735.9588 2063.8356 1942.3063 110.5746 -205889.1097 17755.1957 0.0000 0.0000 34204.3793 -149076.8594 298.7154 -183281.2387 -148992.4140 299.3488 38.8859 78.5910 559120.2922 -1.5959 -1.2810 PRESSURE: 3461600 -212.387 -93.0893 154.589 -93.0893 -156.861 93.3767 154.59 93.3769 -111.005 GPRESSURE: 3461600 -218.007 -64.3278 120.386 -116.584 -100.494 130.415 141.872 44.9325 -56.9774 PRESSAVG: 3461600 -12.5515 -25.7505 33.5248 -25.7504 8.67677 49.4643 33.5249 49.4644 6.47986 GPRESSAVG: 3461600 -13.4513 -25.8156 30.9606 -26.5757 8.66292 49.3416 33.4905 49.4992 7.21512 TIMING: 3461600 CPU: 10303.9, 0.00292659/step Wall: 10303.9, 0.00292659/step, 1.25063 hours remaining, 206.988281 MB of memory in use. ENERGY: 3461600 764.2802 2116.7698 1930.8733 113.0235 -205914.2628 17471.9296 0.0000 0.0000 34504.9220 -149012.4643 301.3401 -183517.3863 -148922.4056 299.1223 -160.0845 -125.1594 558158.2829 0.8684 0.8089 PRESSURE: 3461800 -301.375 -113.159 -107.999 -113.158 -233.764 257.212 -107.998 257.211 -80.1327 GPRESSURE: 3461800 -218.519 -41.46 -80.6782 -235.243 -221.605 210.327 -165.508 210.657 -63.7571 PRESSAVG: 3461800 -51.6863 -5.02621 5.03722 -5.0262 62.1926 83.9208 5.03724 83.9208 -15.8884 GPRESSAVG: 3461800 -50.1976 -5.03422 7.75953 -4.33008 60.6775 83.8718 4.88031 83.1634 -15.678 TIMING: 3461800 CPU: 10304.5, 0.00293842/step Wall: 10304.5, 0.00293842/step, 1.25552 hours remaining, 206.988281 MB of memory in use. ENERGY: 3461800 757.6200 2069.2237 1931.3904 104.0823 -206049.2062 17691.1412 0.0000 0.0000 34376.1893 -149119.5593 300.2158 -183495.7486 -149028.5278 300.2209 -205.0904 -167.9605 559002.4517 -1.7940 -1.7327 PRESSURE: 3462000 -32.2629 73.3264 -22.0804 73.3258 -66.4943 12.2827 -22.0802 12.2837 -140.339 GPRESSURE: 3462000 -21.2558 25.7689 -79.1282 94.2686 -50.3723 44.0169 -26.5005 -42.5828 -66.2713 PRESSAVG: 3462000 -1.97944 92.124 1.83375 92.124 18.8252 62.5361 1.83387 62.536 -32.1464 GPRESSAVG: 3462000 -1.53858 92.1488 0.900668 93.3073 19.3781 62.495 2.62563 63.3829 -33.0191 TIMING: 3462000 CPU: 10305.1, 0.00293674/step Wall: 10305.1, 0.00293674/step, 1.25464 hours remaining, 206.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3462000 723.1079 2086.9767 1940.5728 116.8360 -206050.7800 18017.6606 0.0000 0.0000 34097.5928 -149068.0331 297.7828 -183165.6258 -148968.7437 299.6771 -79.6988 -45.9665 561203.3998 -5.1002 -5.0599 PRESSURE: 3462200 -163.725 162.734 -71.0014 162.733 166.643 48.2332 -71.0006 48.2338 244.392 GPRESSURE: 3462200 -122.177 89.2124 -3.49665 196.113 206.678 10.4619 -148.418 60.0979 257.802 PRESSAVG: 3462200 29.1474 26.6133 15.2996 26.6132 26.2194 37.412 15.2996 37.412 -66.3018 GPRESSAVG: 3462200 27.7251 26.0811 16.4258 26.8639 27.0424 40.7734 14.7866 34.8338 -65.6995 TIMING: 3462200 CPU: 10305.7, 0.00295555/step Wall: 10305.7, 0.00295555/step, 1.26251 hours remaining, 206.988281 MB of memory in use. ENERGY: 3462200 756.1877 2033.2226 1914.1712 102.7360 -206366.1325 18064.9741 0.0000 0.0000 34406.3452 -149088.4957 300.4792 -183494.8409 -148990.8952 299.7646 82.4367 114.1010 557359.9210 -3.6450 -3.6440 PRESSURE: 3462400 -308.134 24.2003 -102.739 24.2005 -289.355 -48.4541 -102.74 -48.4533 -152.277 GPRESSURE: 3462400 -238.688 30.12 -82.2241 69.315 -252.651 -87.1488 -171.559 -158.409 -153.111 PRESSAVG: 3462400 -17.0891 10.7828 23.4496 10.7828 -2.45305 -26.4764 23.4496 -26.4765 23.5587 GPRESSAVG: 3462400 -16.3195 11.7965 21.8545 10.239 -2.70251 -26.9785 24.0571 -24.5357 22.8117 TIMING: 3462400 CPU: 10306.3, 0.00296975/step Wall: 10306.3, 0.00296975/step, 1.26841 hours remaining, 206.988281 MB of memory in use. ENERGY: 3462400 741.0932 2088.5239 1915.6859 110.0885 -205497.2428 17291.7210 0.0000 0.0000 34241.1850 -149108.9454 299.0368 -183350.1304 -149009.1247 300.7377 -249.9218 -214.8168 559462.4888 1.3388 1.2632 PRESSURE: 3462600 7.26761 32.3189 -41.2479 32.3197 137.209 125.929 -41.2475 125.929 -179.334 GPRESSURE: 3462600 56.0735 -37.115 -24.8886 64.6874 154.845 89.5406 50.7078 93.0927 -143.433 PRESSAVG: 3462600 44.4647 -30.3697 -33.7186 -30.3698 -26.0551 14.2998 -33.7186 14.2997 48.2718 GPRESSAVG: 3462600 43.8767 -31.5632 -34.2575 -30.39 -26.4897 14.1237 -32.7098 12.6262 48.9749 TIMING: 3462600 CPU: 10306.9, 0.00294751/step Wall: 10306.9, 0.00294751/step, 1.25875 hours remaining, 206.988281 MB of memory in use. ENERGY: 3462600 748.0328 2112.2565 1926.6471 103.9909 -206100.4029 17849.8559 0.0000 0.0000 34412.6779 -148946.9417 300.5345 -183359.6196 -148850.9825 300.3146 -11.6192 22.4951 558695.0649 22.2271 22.1206 PRESSURE: 3462800 -65.532 -76.8106 -142.525 -76.8098 22.4358 150.311 -142.524 150.311 63.2895 GPRESSURE: 3462800 -8.34099 -69.7109 -175.667 -22.6324 57.3388 135.322 -161.021 129.974 65.3501 PRESSAVG: 3462800 17.2726 -16.9292 -50.0459 -16.9292 12.2682 45.4949 -50.0459 45.4948 -7.06671 GPRESSAVG: 3462800 18.4816 -16.9001 -50.0593 -16.2343 12.1732 42.8068 -49.3123 47.1673 -8.15381 TIMING: 3462800 CPU: 10307.5, 0.00293043/step Wall: 10307.5, 0.00293043/step, 1.25129 hours remaining, 206.988281 MB of memory in use. ENERGY: 3462800 776.9955 2086.3786 1964.8763 120.3766 -205944.9706 17940.6256 0.0000 0.0000 34233.4728 -148822.2452 298.9694 -183055.7180 -148722.4484 300.6542 6.7311 38.1160 559443.2299 7.4914 7.5003 PRESSURE: 3463000 170.024 -98.0874 -11.9167 -98.0871 97.921 -177.515 -11.9173 -177.515 -51.6626 GPRESSURE: 3463000 164.008 -88.5808 -64.9077 -67.3097 169.374 -172.782 118.39 -192.267 -26.9354 PRESSAVG: 3463000 -39.0071 -29.1873 -35.1703 -29.1873 2.36828 -11.595 -35.1703 -11.595 22.5265 GPRESSAVG: 3463000 -40.0647 -27.4091 -34.5084 -29.7826 3.7328 -11.004 -34.7388 -10.115 22.6581 TIMING: 3463000 CPU: 10308.1, 0.00291994/step Wall: 10308.1, 0.00291994/step, 1.24665 hours remaining, 206.988281 MB of memory in use. ENERGY: 3463000 719.4330 2094.0071 1934.2583 111.9289 -205667.8312 17711.3866 0.0000 0.0000 34289.4368 -148807.3804 299.4582 -183096.8172 -148713.9937 299.6400 72.0942 102.1487 557962.2355 -4.7041 -4.5579 PRESSURE: 3463200 -87.5103 5.11112 23.4287 5.11092 107.624 -54.9565 23.4292 -54.9565 -185.145 GPRESSURE: 3463200 -65.6944 39.17 6.02443 41.8228 91.5191 -47.2257 102.491 -44.5333 -92.7294 PRESSAVG: 3463200 29.091 23.1111 4.43377 23.111 -14.9988 7.21136 4.43385 7.21146 -24.5537 GPRESSAVG: 3463200 29.2707 21.6918 4.07285 20.3946 -16.3552 7.78424 4.34664 4.80315 -23.5767 TIMING: 3463200 CPU: 10308.6, 0.00290907/step Wall: 10308.6, 0.00290907/step, 1.24185 hours remaining, 206.988281 MB of memory in use. ENERGY: 3463200 743.3323 2037.8562 1926.5640 107.6370 -205823.2676 17725.1519 0.0000 0.0000 34525.3847 -148757.3415 301.5188 -183282.7262 -148662.3058 300.5077 -55.0103 -22.3016 558684.9635 -3.4872 -3.5537 PRESSURE: 3463400 -319.892 -98.3499 117.656 -98.3492 29.7434 82.026 117.655 82.0254 -75.3732 GPRESSURE: 3463400 -214.276 -68.6744 137.404 -97.8784 12.2283 144.363 154.572 64.8172 -64.6811 PRESSAVG: 3463400 11.8316 -24.6568 -19.6102 -24.6568 22.9345 -21.3646 -19.6102 -21.3646 -62.3935 GPRESSAVG: 3463400 12.1872 -24.0568 -17.9506 -21.4046 25.1709 -20.467 -19.9444 -20.9727 -64.6157 TIMING: 3463400 CPU: 10309.2, 0.00291692/step Wall: 10309.2, 0.00291692/step, 1.24504 hours remaining, 206.988281 MB of memory in use. ENERGY: 3463400 767.8632 2039.4415 1933.8367 101.8214 -205689.9579 17632.0331 0.0000 0.0000 34513.9482 -148701.0139 301.4189 -183214.9621 -148605.8707 301.4494 -121.8407 -88.9097 558849.0853 -9.2091 -9.0858 PRESSURE: 3463600 -315.471 117.179 130.107 117.179 -355.524 -164.401 130.109 -164.401 41.882 GPRESSURE: 3463600 -272.734 81.6475 153.22 160.407 -334.644 -190.882 145.404 -134.442 68.8663 PRESSAVG: 3463600 -18.0801 43.8629 14.3631 43.8628 8.647 -8.90995 14.363 -8.90991 14.2709 GPRESSAVG: 3463600 -19.1345 43.8441 14.3775 41.862 7.72901 -9.84948 13.8249 -8.26108 15.7258 TIMING: 3463600 CPU: 10309.8, 0.00291547/step Wall: 10309.8, 0.00291547/step, 1.24426 hours remaining, 206.988281 MB of memory in use. ENERGY: 3463600 749.2931 2080.4229 1946.9296 107.4694 -205341.4312 17440.6773 0.0000 0.0000 34283.0947 -148733.5443 299.4028 -183016.6389 -148640.3104 300.2821 -209.7044 -179.5039 560244.7505 1.6126 1.4401 PRESSURE: 3463800 98.2589 -21.3338 -82.6537 -21.3341 187.162 160.027 -82.6548 160.028 24.4655 GPRESSURE: 3463800 133.485 -18.9122 -38.4245 -54.4586 205.232 141.773 -45.685 153.959 56.1762 PRESSAVG: 3463800 -13.6577 8.65722 -23.3951 8.65724 -70.7827 15.3316 -23.395 15.3317 28.1448 GPRESSAVG: 3463800 -13.1629 7.3114 -24.1246 9.92392 -71.1602 13.1794 -22.1555 14.9924 27.8645 TIMING: 3463800 CPU: 10310.4, 0.0029345/step Wall: 10310.4, 0.0029345/step, 1.25222 hours remaining, 206.988281 MB of memory in use. ENERGY: 3463800 768.1477 2053.7975 1927.8596 123.0836 -206024.8107 17862.3209 0.0000 0.0000 34504.4415 -148785.1599 301.3359 -183289.6014 -148687.5450 300.5734 103.2954 131.6310 557401.9149 -18.7652 -18.8195 PRESSURE: 3464000 -91.8181 -48.4687 -66.9616 -48.4683 30.7701 -54.8012 -66.9613 -54.7995 108.856 GPRESSURE: 3464000 -14.7419 -16.2424 8.76489 -30.2361 77.2576 -128.36 -198.717 -37.5206 98.0007 PRESSAVG: 3464000 23.5416 -23.382 64.8497 -23.3819 -36.8306 17.3738 64.8497 17.3738 8.85823 GPRESSAVG: 3464000 22.2401 -22.3963 65.142 -22.4457 -36.7041 21.4098 63.1856 16.406 9.26158 TIMING: 3464000 CPU: 10311, 0.00295503/step Wall: 10311, 0.00295503/step, 1.26081 hours remaining, 206.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3464000 752.1946 2063.6997 1921.6049 107.8125 -206231.8241 17821.1806 0.0000 0.0000 34539.3310 -149026.0007 301.6406 -183565.3318 -148930.4433 299.8352 15.9360 53.5054 558009.2227 -1.4769 -1.7342 PRESSURE: 3464200 -192.237 -99.6136 38.1843 -99.6132 -229.084 -68.7257 38.1833 -68.7265 -200.068 GPRESSURE: 3464200 -143.504 -177.723 -87.8108 -78.0771 -190.193 -65.069 48.3975 -75.4274 -169.883 PRESSAVG: 3464200 -44.5626 -4.96931 24.9214 -4.96926 13.5703 -9.53487 24.9215 -9.53486 36.817 GPRESSAVG: 3464200 -43.8564 -3.06851 24.2506 -5.11024 13.1661 -11.6151 26.0202 -6.82641 36.0101 TIMING: 3464200 CPU: 10311.6, 0.00294042/step Wall: 10311.6, 0.00294042/step, 1.25442 hours remaining, 206.988281 MB of memory in use. ENERGY: 3464200 712.4874 2036.7775 1911.8823 116.5179 -205837.1312 17528.5044 0.0000 0.0000 34393.9870 -149136.9747 300.3712 -183530.9617 -149047.7510 299.8236 -207.1295 -167.8601 557992.6492 1.9416 1.7733 LDB: ============= START OF LOAD BALANCING ============== 10315.1 LDB: ============== END OF LOAD BALANCING =============== 10315.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10315.1 LDB: ============= START OF LOAD BALANCING ============== 10315.4 LDB: Largest compute 4801 load 0.024269 is 20.5% of average load 0.118178 LDB: Average compute 0.001728 is 1.5% of average load 0.118178 LDB: TIME 10315.4 LOAD: AVG 0.118178 MAX 0.194641 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.508 MB LDB: TIME 10315.4 LOAD: AVG 0.118178 MAX 0.194641 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.508 MB LDB: TIME 10315.4 LOAD: AVG 0.118178 MAX 0.194641 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.508 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10315.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10315.4 PRESSURE: 3464400 73.4007 21.7501 16.6355 21.7504 241.326 74.9591 16.6356 74.9586 -7.93674 GPRESSURE: 3464400 106.697 -29.7537 31.08 15.4721 213.974 79.7424 -19.4894 23.8142 77.4763 PRESSAVG: 3464400 12.8686 -44.3064 -61.569 -44.3064 31.0751 -26.7253 -61.5689 -26.7254 -0.867314 GPRESSAVG: 3464400 12.3763 -46.4439 -63.198 -42.8061 30.8203 -26.264 -61.0962 -29.012 -0.646782 TIMING: 3464400 CPU: 10312.2, 0.00299275/step Wall: 10312.2, 0.00299275/step, 1.27658 hours remaining, 206.988281 MB of memory in use. ENERGY: 3464400 720.7944 2050.8877 1913.1330 117.1690 -205983.8471 17771.8789 0.0000 0.0000 34268.5287 -149141.4553 299.2756 -183409.9840 -149047.6516 299.3904 102.2634 132.7155 558484.3427 14.3588 14.1833 PRESSURE: 3464600 -415.086 38.3513 -6.28348 38.3489 -78.0401 -89.405 -6.28203 -89.4042 -447.267 GPRESSURE: 3464600 -346.811 8.71218 -78.105 -1.78071 -83.5473 -66.8702 51.8841 -128.955 -418.369 PRESSAVG: 3464600 -42.3768 64.1142 -34.008 64.1142 33.5481 -25.6777 -34.0079 -25.6777 -24.7529 GPRESSAVG: 3464600 -42.2647 63.1522 -33.4518 62.4325 34.4695 -26.1482 -33.4821 -25.4917 -25.1969 TIMING: 3464600 CPU: 10312.8, 0.00291496/step Wall: 10312.8, 0.00291496/step, 1.24323 hours remaining, 206.988281 MB of memory in use. ENERGY: 3464600 746.3866 2059.1436 1882.5548 109.6274 -205724.3918 17343.6023 0.0000 0.0000 34447.1965 -149135.8806 300.8359 -183583.0771 -149041.3888 299.2229 -313.4642 -282.9092 558737.6350 -11.1939 -10.9973 PRESSURE: 3464800 359.753 147.612 128.915 147.613 -158.619 -82.1474 128.914 -82.1476 90.5541 GPRESSURE: 3464800 315.269 188.015 145.067 95.3869 -94.2365 -92.0969 141.142 18.8345 166.999 PRESSAVG: 3464800 -52.4726 33.0432 18.0059 33.0433 38.7106 -58.9992 18.0059 -58.9992 10.6357 GPRESSAVG: 3464800 -52.097 35.4214 17.968 31.2744 39.1584 -59.7906 17.3821 -58.6724 9.82027 TIMING: 3464800 CPU: 10313.3, 0.00291792/step Wall: 10313.3, 0.00291792/step, 1.24433 hours remaining, 206.988281 MB of memory in use. ENERGY: 3464800 745.2612 2043.8159 1924.6755 110.0058 -206144.3353 17855.8150 0.0000 0.0000 34439.3184 -149025.4434 300.7671 -183464.7618 -148929.3498 299.7344 97.2293 129.3439 556362.6266 -1.0421 -1.0394 PRESSURE: 3465000 -205.836 145.629 0.822403 145.627 -86.1799 -30.9755 0.82253 -30.9747 -178.261 GPRESSURE: 3465000 -172.352 148.093 40.9535 128.667 -82.7945 66.9203 -43.2847 -14.4215 -106.087 PRESSAVG: 3465000 6.87149 43.0509 33.7597 43.0508 1.32142 2.51142 33.7598 2.51147 53.4972 GPRESSAVG: 3465000 5.96774 45.2066 34.8396 44.1002 1.92499 4.26037 33.8017 1.41483 53.5141 TIMING: 3465000 CPU: 10313.9, 0.0029168/step Wall: 10313.9, 0.0029168/step, 1.24369 hours remaining, 206.988281 MB of memory in use. ENERGY: 3465000 739.9167 2001.9587 1927.9046 100.1103 -205633.4609 17431.3669 0.0000 0.0000 34334.8476 -149097.3562 299.8548 -183432.2037 -148998.3964 299.9644 -156.7590 -120.4114 557208.5640 20.5634 20.4689 PRESSURE: 3465200 -164.789 -53.807 73.1958 -53.8057 -127.237 -14.6328 73.196 -14.6344 -70.7117 GPRESSURE: 3465200 -184.104 -13.9525 165.322 -67.1419 -81.2943 9.60966 179.916 -65.3613 -1.20565 PRESSAVG: 3465200 1.06588 4.46777 13.0388 4.4678 5.38655 22.9588 13.0388 22.9588 -47.6298 GPRESSAVG: 3465200 1.12059 1.33401 14.7238 5.82286 4.79566 22.6798 12.1571 23.5005 -46.8751 TIMING: 3465200 CPU: 10314.5, 0.00296094/step Wall: 10314.5, 0.00296094/step, 1.26235 hours remaining, 206.988281 MB of memory in use. ENERGY: 3465200 758.6313 2024.0846 1936.2971 102.6184 -205820.5165 17594.1461 0.0000 0.0000 34159.2092 -149245.5298 298.3209 -183404.7390 -149153.3230 299.0239 -120.9128 -88.8681 557419.4510 -13.7258 -13.6529 PRESSURE: 3465400 38.2874 64.5695 17.6662 64.5696 -67.8531 77.2422 17.6656 77.2424 253.589 GPRESSURE: 3465400 49.6526 83.0993 74.061 104.566 12.2345 92.5495 1.25137 85.5778 255.837 PRESSAVG: 3465400 -32.5407 -38.7457 36.5951 -38.7458 -4.34225 19.5718 36.595 19.5717 50.7716 GPRESSAVG: 3465400 -32.0678 -38.4147 35.7316 -39.2391 -5.17372 19.1481 36.973 19.2906 50.8735 TIMING: 3465400 CPU: 10315.1, 0.00293937/step Wall: 10315.1, 0.00293937/step, 1.25299 hours remaining, 206.988281 MB of memory in use. ENERGY: 3465400 734.5143 2088.7227 1924.1497 117.2623 -206672.9545 18117.4918 0.0000 0.0000 34427.4358 -149263.3780 300.6634 -183690.8138 -149165.3087 299.2061 74.6744 105.9081 557343.8898 4.6295 4.5440 PRESSURE: 3465600 272.048 -7.20364 -184.967 -7.20391 -9.98863 -39.9895 -184.967 -39.9896 282.421 GPRESSURE: 3465600 333.774 -49.3342 -220.056 -43.7472 74.9156 38.6341 -159.418 10.9734 238.701 PRESSAVG: 3465600 30.7788 -76.6756 32.9896 -76.6756 -86.258 10.2931 32.9897 10.293 28.2681 GPRESSAVG: 3465600 30.7821 -74.7306 32.2222 -77.7009 -85.5695 10.6767 34.6913 11.0861 27.8115 TIMING: 3465600 CPU: 10315.7, 0.00293313/step Wall: 10315.7, 0.00293313/step, 1.25016 hours remaining, 206.988281 MB of memory in use. ENERGY: 3465600 724.9503 2049.3847 1915.0235 117.3128 -206298.8157 18045.4407 0.0000 0.0000 34204.0090 -149242.6948 298.7121 -183446.7038 -149150.6812 298.7663 181.4935 215.7968 558277.7731 -9.0704 -8.9920 PRESSURE: 3465800 21.4923 88.1299 24.7183 88.1299 -312.911 -93.8685 24.719 -93.8668 -131.669 GPRESSURE: 3465800 28.3468 90.1631 -20.3822 138.809 -309.455 -93.5678 -44.1948 -206.851 -46.0331 PRESSAVG: 3465800 54.4551 -98.5303 -52.0871 -98.5304 -37.6253 -47.6956 -52.0871 -47.6957 -17.578 GPRESSAVG: 3465800 54.5439 -100.368 -51.2684 -99.7436 -36.1691 -47.3629 -54.9228 -49.0652 -19.399 TIMING: 3465800 CPU: 10316.3, 0.00292057/step Wall: 10316.3, 0.00292056/step, 1.24465 hours remaining, 206.988281 MB of memory in use. ENERGY: 3465800 737.2447 2077.8365 1943.2155 126.7843 -205992.3142 17611.9199 0.0000 0.0000 34398.0416 -149097.2716 300.4067 -183495.3133 -149001.0323 299.0691 -141.0294 -109.0473 558454.7823 -0.2494 -0.3414 PRESSURE: 3466000 -346.024 -133.365 189.662 -133.366 -168.412 -230.063 189.661 -230.067 -50.2796 GPRESSURE: 3466000 -316.079 -102.39 168.236 -153.061 -123.265 -262.868 176.409 -206.916 -16.6614 PRESSAVG: 3466000 13.8435 -47.5215 39.0745 -47.5214 -53.0158 -81.3037 39.0745 -81.3039 44.1392 GPRESSAVG: 3466000 12.9979 -47.4037 36.7451 -44.4896 -54.3185 -82.0319 41.8769 -82.0925 45.6924 TIMING: 3466000 CPU: 10316.9, 0.00296279/step Wall: 10316.9, 0.00296279/step, 1.26248 hours remaining, 206.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3466000 759.7222 2007.3475 1927.2070 110.4195 -205661.7916 17610.7571 0.0000 0.0000 34258.6159 -148987.7225 299.1890 -183246.3384 -148889.8435 299.3574 -188.2387 -152.0018 558436.8339 1.6557 1.4573 PRESSURE: 3466200 4.48291 11.7717 112.548 11.773 21.8176 -98.2209 112.548 -98.2206 49.6039 GPRESSURE: 3466200 10.1351 -34.71 0.642871 -9.90614 54.4629 -99.3678 151.317 -40.0438 117.653 PRESSAVG: 3466200 16.2188 -23.6258 61.5566 -23.6258 -40.0995 -55.0909 61.5565 -55.0909 19.316 GPRESSAVG: 3466200 17.3067 -22.8582 62.5778 -25.4477 -40.432 -53.286 60.184 -55.4 18.4675 TIMING: 3466200 CPU: 10317.4, 0.00293199/step Wall: 10317.4, 0.00293199/step, 1.24919 hours remaining, 206.988281 MB of memory in use. ENERGY: 3466200 727.1240 2069.2571 1940.1866 118.2925 -205679.6066 17697.4777 0.0000 0.0000 34265.6545 -148861.6143 299.2505 -183127.2688 -148764.6645 299.6576 25.3015 60.7502 557488.2503 -1.5216 -1.5526 PRESSURE: 3466400 10.8722 58.4397 -166.243 58.4393 58.4773 -77.2358 -166.245 -77.2356 -116.109 GPRESSURE: 3466400 48.0489 44.7285 -83.5455 152.577 95.9076 -35.5178 -238.502 -23.4407 -97.6748 PRESSAVG: 3466400 10.4059 -2.86697 -20.5425 -2.86697 -2.1822 17.6691 -20.5425 17.6692 -6.68815 GPRESSAVG: 3466400 10.479 -5.22565 -20.6375 -2.17947 -1.40481 16.3186 -21.1586 19.1711 -7.1965 TIMING: 3466400 CPU: 10318, 0.0029187/step Wall: 10318, 0.0029187/step, 1.24337 hours remaining, 206.988281 MB of memory in use. ENERGY: 3466400 701.9753 2091.9719 1975.6932 109.8461 -206106.2980 17723.8467 0.0000 0.0000 34379.1594 -149123.8054 300.2417 -183502.9648 -149019.1451 300.2287 -15.5864 15.4272 558835.1830 0.5119 0.6259 PRESSURE: 3466600 -61.7573 126.29 -250.14 126.291 -200.622 -266.662 -250.14 -266.662 -216.055 GPRESSURE: 3466600 -43.3873 126.303 -200.374 173.958 -203.032 -391.835 -203.499 -203.697 -136.165 PRESSAVG: 3466600 -26.8183 -20.4977 -36.3279 -20.4976 -0.7097 -28.9701 -36.3279 -28.9703 18.6055 GPRESSAVG: 3466600 -26.2189 -18.6623 -35.3817 -21.254 -2.217 -30.0746 -37.1618 -29.7425 19.8766 TIMING: 3466600 CPU: 10318.6, 0.00292812/step Wall: 10318.6, 0.00292812/step, 1.24721 hours remaining, 206.988281 MB of memory in use. ENERGY: 3466600 767.2699 2042.4204 1954.2958 115.7887 -205694.1169 17435.4196 0.0000 0.0000 34319.9552 -149058.9672 299.7247 -183378.9224 -148966.7951 299.4727 -159.4783 -127.5281 558154.4361 -2.9742 -2.8531 PRESSURE: 3466800 151.847 -128.668 -273.532 -128.668 -13.7684 -54.3346 -273.534 -54.3352 -81.0619 GPRESSURE: 3466800 218.148 -109.562 -268.554 -117.71 3.8046 -79.8184 -324.256 -106.433 -61.8025 PRESSAVG: 3466800 -4.88049 -23.1677 -16.3654 -23.1677 -22.6905 -55.465 -16.3654 -55.4651 12.5002 GPRESSAVG: 3466800 -5.31848 -23.1285 -17.6964 -23.6998 -21.6827 -54.7986 -14.9369 -55.0472 11.7004 TIMING: 3466800 CPU: 10319.2, 0.00294477/step Wall: 10319.2, 0.00294477/step, 1.25414 hours remaining, 206.988281 MB of memory in use. ENERGY: 3466800 744.4486 2110.4411 1934.0337 126.7916 -205919.5797 17751.6501 0.0000 0.0000 34224.7557 -149027.4589 298.8933 -183252.2146 -148932.9130 299.9034 19.0055 53.3832 557814.2982 -5.0236 -5.1003 PRESSURE: 3467000 -150.533 40.7212 172.5 40.72 -152.451 -77.383 172.501 -77.3826 215.712 GPRESSURE: 3467000 -89.6592 21.489 165.157 69.726 -136.258 -118.883 143.168 -6.8899 231.021 PRESSAVG: 3467000 -14.7013 -13.8216 -36.168 -13.8216 -43.8395 4.20848 -36.168 4.20852 73.3706 GPRESSAVG: 3467000 -17.0067 -15.1014 -36.0172 -12.6326 -44.3871 4.81605 -33.6059 4.66879 75.8205 TIMING: 3467000 CPU: 10319.8, 0.00293043/step Wall: 10319.8, 0.00293044/step, 1.24788 hours remaining, 206.988281 MB of memory in use. ENERGY: 3467000 744.1846 2076.0202 1956.5876 118.3979 -205998.5285 17752.0731 0.0000 0.0000 34299.4850 -149051.7801 299.5459 -183351.2651 -148952.1976 299.5813 -29.0907 1.7013 558625.3278 4.9433 4.8089 PRESSURE: 3467200 60.602 47.2801 20.8295 47.2804 19.5867 -98.532 20.8295 -98.5327 -298.14 GPRESSURE: 3467200 65.8998 -44.036 86.7312 106.598 71.971 37.4613 -23.6102 -111.028 -256.396 PRESSAVG: 3467200 50.7274 -54.482 22.3909 -54.482 8.32854 -39.3276 22.3909 -39.3276 -33.3671 GPRESSAVG: 3467200 51.9578 -55.4694 23.037 -53.6185 8.25191 -39.5553 18.5732 -38.6591 -34.8172 TIMING: 3467200 CPU: 10320.4, 0.00294889/step Wall: 10320.4, 0.00294889/step, 1.25557 hours remaining, 206.988281 MB of memory in use. ENERGY: 3467200 741.3003 2173.4129 1946.0869 128.3693 -206267.0769 17880.0411 0.0000 0.0000 34191.4676 -149206.3987 298.6026 -183397.8663 -149109.1747 299.5651 -72.6505 -39.5083 558943.6076 8.5629 8.4642 PRESSURE: 3467400 -264.762 19.7478 -50.1936 19.748 -8.56053 13.9112 -50.1938 13.9099 -319.448 GPRESSURE: 3467400 -234.052 61.2904 -34.5764 -39.6849 30.5878 -63.1013 -18.6606 94.7042 -286.208 PRESSAVG: 3467400 36.0202 -13.0018 36.5342 -13.0019 6.73575 -9.68774 36.5343 -9.68781 -20.0108 GPRESSAVG: 3467400 35.775 -8.93798 37.0168 -15.0757 7.60295 -10.8078 37.5127 -10.4058 -21.4492 TIMING: 3467400 CPU: 10321, 0.00294185/step Wall: 10321, 0.00294185/step, 1.25241 hours remaining, 206.988281 MB of memory in use. ENERGY: 3467400 750.3974 2063.3251 1940.8919 117.8544 -206187.4480 17665.7904 0.0000 0.0000 34271.1972 -149377.9915 299.2989 -183649.1888 -149283.8773 298.7733 -197.5902 -163.2239 559083.0700 7.5817 7.3096 PRESSURE: 3467600 -183.761 85.6737 38.461 85.6738 -188.774 181.63 38.4625 181.629 -260.383 GPRESSURE: 3467600 -154.789 11.288 27.7411 50.9188 -159.817 168.142 49.7874 223.496 -218.526 PRESSAVG: 3467600 75.7385 -5.091 3.96582 -5.09103 -31.6286 47.775 3.96581 47.775 -38.8623 GPRESSAVG: 3467600 74.8674 -5.98956 2.7352 -3.99955 -32.8106 49.6365 4.62179 49.0103 -36.7655 TIMING: 3467600 CPU: 10321.6, 0.00296191/step Wall: 10321.6, 0.00296191/step, 1.26079 hours remaining, 206.988281 MB of memory in use. ENERGY: 3467600 800.9141 2091.5327 1924.1741 108.9935 -205999.6658 17609.1189 0.0000 0.0000 34149.8116 -149315.1210 298.2388 -183464.9326 -149224.4635 299.0155 -210.9725 -177.7109 558835.7926 1.7492 1.7638 PRESSURE: 3467800 -70.5499 56.2857 -40.1263 56.2848 24.1003 1.62694 -40.1258 1.62812 47.575 GPRESSURE: 3467800 -42.9699 31.1648 -8.04525 32.2124 122.281 -44.375 -51.7904 18.5674 13.3233 PRESSAVG: 3467800 -50.0045 -10.0054 4.36358 -10.0054 38.066 65.5348 4.36359 65.5348 4.87192 GPRESSAVG: 3467800 -48.9591 -11.413 5.30358 -11.3606 38.1229 65.7392 4.00132 64.412 4.08187 TIMING: 3467800 CPU: 10322.1, 0.00293389/step Wall: 10322.1, 0.00293389/step, 1.24869 hours remaining, 206.988281 MB of memory in use. ENERGY: 3467800 778.4775 2080.4587 1932.5393 114.0363 -206289.5046 17951.9462 0.0000 0.0000 34050.1712 -149381.8755 297.3686 -183432.0467 -149279.4090 299.0424 0.3751 30.8782 559599.7006 -2.3555 -2.2514 PRESSURE: 3468000 126.965 123.827 -73.1044 123.827 36.3934 -3.31274 -73.1044 -3.31335 181.251 GPRESSURE: 3468000 133.218 209.721 -33.4402 36.5699 47.6113 36.4701 1.16066 -35.4105 260.703 PRESSAVG: 3468000 32.7166 27.6461 8.15798 27.6461 9.29209 72.3077 8.15796 72.3076 -24.0342 GPRESSAVG: 3468000 32.5488 29.6592 8.5196 26.6537 9.25275 71.4855 7.94426 72.4666 -24.3463 TIMING: 3468000 CPU: 10322.7, 0.00292478/step Wall: 10322.7, 0.00292478/step, 1.24466 hours remaining, 206.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3468000 763.8465 2107.1563 1927.1933 111.7928 -206748.0199 18145.5101 0.0000 0.0000 34245.9411 -149446.5797 299.0783 -183692.5208 -149351.5132 298.6680 114.8697 147.1772 559262.5675 5.9915 5.8184 PRESSURE: 3468200 169.537 64.3974 -71.5247 64.3961 -43.0232 53.2521 -71.5249 53.2521 -340.747 GPRESSURE: 3468200 163.671 -32.1664 -82.3886 147.372 10.6482 0.0859699 -103.289 32.0149 -289.08 PRESSAVG: 3468200 0.994223 -1.25538 7.12843 -1.25536 -6.61077 34.614 7.1284 34.614 -36.7258 GPRESSAVG: 3468200 0.125338 -4.83627 5.32044 2.05874 -5.57358 33.3921 6.48776 34.376 -36.8419 TIMING: 3468200 CPU: 10323.3, 0.00295475/step Wall: 10323.3, 0.00295475/step, 1.25725 hours remaining, 206.988281 MB of memory in use. ENERGY: 3468200 706.4040 2140.3143 1912.9868 119.5146 -206614.7827 17929.0529 0.0000 0.0000 34246.1935 -149560.3165 299.0805 -183806.5101 -149457.6654 298.3211 -71.4111 -38.2536 559217.4761 -14.1141 -14.0967 LDB: ============= START OF LOAD BALANCING ============== 10326.9 LDB: ============== END OF LOAD BALANCING =============== 10326.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10326.9 LDB: ============= START OF LOAD BALANCING ============== 10327.2 LDB: Largest compute 4802 load 0.025042 is 21.2% of average load 0.118238 LDB: Average compute 0.001733 is 1.5% of average load 0.118238 LDB: TIME 10327.2 LOAD: AVG 0.118238 MAX 0.197358 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.988 MB LDB: TIME 10327.2 LOAD: AVG 0.118238 MAX 0.197358 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.051 MB LDB: TIME 10327.2 LOAD: AVG 0.118238 MAX 0.197358 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.051 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10327.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10327.2 PRESSURE: 3468400 50.9043 8.09971 -115.645 8.0992 -104.934 -112.047 -115.646 -112.047 13.7488 GPRESSURE: 3468400 138.725 -3.12412 -175.134 -9.62323 -114.775 -62.3569 -206.354 -178.173 44.4243 PRESSAVG: 3468400 33.1948 60.529 -11.3027 60.529 -31.6632 -8.60963 -11.3026 -8.60948 17.6331 GPRESSAVG: 3468400 33.4879 63.7351 -10.1766 58.6977 -32.1972 -8.77299 -8.09691 -8.12296 17.8318 TIMING: 3468400 CPU: 10323.9, 0.00300512/step Wall: 10323.9, 0.00300512/step, 1.27851 hours remaining, 206.343750 MB of memory in use. ENERGY: 3468400 763.0669 2084.5023 1919.2109 112.9972 -206377.0093 17953.5198 0.0000 0.0000 34031.6709 -149512.0413 297.2070 -183543.7122 -149416.9158 298.1174 -13.4268 22.7913 558439.1651 6.3882 6.3742 PRESSURE: 3468600 2.23284 -91.0945 -118.919 -91.0942 26.8225 -10.2705 -118.918 -10.2697 -167.924 GPRESSURE: 3468600 25.3602 28.1138 -144.934 -43.621 56.9111 -68.1222 -156.949 69.837 -126.615 PRESSAVG: 3468600 -55.8597 -17.9189 -2.93209 -17.919 -3.86188 -6.58413 -2.93204 -6.58414 90.3028 GPRESSAVG: 3468600 -54.8081 -18.3254 -5.27811 -17.749 -5.19888 -5.72893 -3.32983 -7.0279 90.3754 TIMING: 3468600 CPU: 10324.5, 0.00294234/step Wall: 10324.5, 0.00294234/step, 1.25164 hours remaining, 206.542969 MB of memory in use. ENERGY: 3468600 764.4270 2094.2478 1923.3376 114.5245 -206232.3855 17817.7656 0.0000 0.0000 34046.7777 -149471.3053 297.3390 -183518.0830 -149370.0865 297.9634 -46.2896 -14.7812 557784.1813 10.1937 10.1228 PRESSURE: 3468800 -437.328 48.1474 -10.4489 48.1476 -174.352 76.5888 -10.4493 76.5921 -24.4232 GPRESSURE: 3468800 -424.669 57.3099 34.3179 -15.1997 -116.642 138.887 11.0671 71.9991 8.39854 PRESSAVG: 3468800 -29.3448 44.8966 27.3681 44.8966 3.45084 -24.9726 27.3679 -24.9726 -0.763062 GPRESSAVG: 3468800 -30.9655 42.9957 28.6601 44.9437 4.68263 -26.2743 25.0868 -23.89 -0.285062 TIMING: 3468800 CPU: 10325.1, 0.0029132/step Wall: 10325.1, 0.0029132/step, 1.23908 hours remaining, 206.542969 MB of memory in use. ENERGY: 3468800 751.6777 2079.5844 1959.2988 112.5871 -205919.9923 17459.9837 0.0000 0.0000 34256.8736 -149299.9870 299.1738 -183556.8606 -149200.1585 298.5389 -212.0344 -177.6376 559293.8017 -8.8857 -8.8560 PRESSURE: 3469000 119.877 2.97192 114.771 2.97141 86.0782 -13.3322 114.771 -13.3326 -139.904 GPRESSURE: 3469000 107.107 14.2707 145.851 54.3429 115.932 13.2926 43.2478 -14.3739 -58.7149 PRESSAVG: 3469000 13.7726 16.3687 -12.0628 16.3687 18.1751 26.4212 -12.0627 26.4212 -1.42765 GPRESSAVG: 3469000 14.5889 17.905 -10.5485 17.5298 18.1297 29.1838 -12.9333 24.7753 -1.94338 TIMING: 3469000 CPU: 10325.7, 0.00295639/step Wall: 10325.7, 0.00295639/step, 1.25729 hours remaining, 206.542969 MB of memory in use. ENERGY: 3469000 759.7507 2028.3604 1941.2436 97.5141 -206153.5617 17817.3951 0.0000 0.0000 34110.6711 -149398.6267 297.8970 -183509.2977 -149304.5959 298.4030 22.0172 54.7747 558587.4088 10.1734 10.2584 PRESSURE: 3469200 135.443 -153.64 107.532 -153.641 -70.6215 -136.476 107.532 -136.476 5.76187 GPRESSURE: 3469200 175.657 -139.747 141.934 -120.648 -70.1591 -78.7797 124.757 -236.209 58.017 PRESSAVG: 3469200 53.2556 21.6315 25.3283 21.6315 26.0831 58.817 25.3283 58.8171 -38.2845 GPRESSAVG: 3469200 52.4099 23.0393 24.1056 21.6151 26.6056 58.5804 26.0099 56.9544 -37.9301 TIMING: 3469200 CPU: 10326.3, 0.00294928/step Wall: 10326.3, 0.00294927/step, 1.2541 hours remaining, 206.542969 MB of memory in use. ENERGY: 3469200 757.5445 2073.5323 1908.7717 104.6782 -206237.0983 17903.9632 0.0000 0.0000 34270.2275 -149218.3809 299.2904 -183488.6084 -149123.6881 298.5737 23.5278 54.5051 558191.2541 13.6847 13.6951 PRESSURE: 3469400 -29.176 188.474 -56.9675 188.474 -5.88106 -29.6341 -56.967 -29.636 -31.455 GPRESSURE: 3469400 -57.9201 125.778 -26.4509 213.231 53.9994 -52.5135 -10.6946 -20.99 36.4713 PRESSAVG: 3469400 9.9462 20.7522 -38.6111 20.7521 2.86892 10.4351 -38.6111 10.435 67.7364 GPRESSAVG: 3469400 9.39838 18.912 -37.9247 19.7794 2.2547 9.57916 -38.3722 12.095 68.438 TIMING: 3469400 CPU: 10326.9, 0.00293421/step Wall: 10326.9, 0.00293421/step, 1.24753 hours remaining, 206.542969 MB of memory in use. ENERGY: 3469400 736.7533 2099.9753 1925.4543 110.4270 -206002.4347 17710.8032 0.0000 0.0000 34230.4132 -149188.6085 298.9427 -183419.0217 -149091.0210 299.7269 -22.1707 10.8502 556239.4390 26.8505 26.6970 PRESSURE: 3469600 54.9374 -127.917 -26.5627 -127.916 229.326 -61.3856 -26.5619 -61.3848 262.488 GPRESSURE: 3469600 84.7447 -121.943 -46.254 -144.212 282.263 -36.2894 19.886 -100.579 286.726 PRESSAVG: 3469600 -53.2917 1.43302 39.0622 1.43303 58.4849 -33.4781 39.0623 -33.478 59.9729 GPRESSAVG: 3469600 -53.0008 1.62477 36.7514 1.10094 59.2705 -33.4222 39.3038 -32.5593 58.4331 TIMING: 3469600 CPU: 10327.5, 0.00293443/step Wall: 10327.5, 0.00293443/step, 1.24746 hours remaining, 206.542969 MB of memory in use. ENERGY: 3469600 756.8695 2106.5229 1933.6792 113.8336 -206259.2066 18070.1037 0.0000 0.0000 34225.9501 -149052.2476 298.9037 -183278.1977 -148953.6894 299.4387 182.2505 217.9113 556989.7784 21.7220 21.5676 PRESSURE: 3469800 34.0149 127.768 43.0386 127.769 -147.999 -33.8386 43.0379 -33.8395 -59.0258 GPRESSURE: 3469800 85.4464 48.6759 65.3941 107.422 -127.263 -108.546 84.6923 -56.1515 -42.7059 PRESSAVG: 3469800 -9.17456 5.67513 27.5983 5.67511 14.9015 -21.1669 27.5983 -21.1668 12.9232 GPRESSAVG: 3469800 -7.60386 6.67077 30.3656 6.44119 12.9238 -21.6648 26.8249 -20.9537 13.063 TIMING: 3469800 CPU: 10328, 0.00295879/step Wall: 10328, 0.00295879/step, 1.25765 hours remaining, 206.542969 MB of memory in use. ENERGY: 3469800 766.2069 2051.1014 1917.3056 93.6945 -206143.2699 17749.9928 0.0000 0.0000 34435.6393 -149129.3295 300.7350 -183564.9688 -149038.1664 299.3745 -57.6699 -28.1743 557383.0113 6.2167 6.1276 PRESSURE: 3470000 -162.011 238.529 -134.823 238.528 -375.192 -88.214 -134.822 -88.2138 -102.914 GPRESSURE: 3470000 -181.243 233.84 -126.439 191.602 -341.884 -162.504 -171.748 -46.9262 -40.3759 PRESSAVG: 3470000 -15.6186 54.5076 -50.6062 54.5075 -15.6874 -43.9485 -50.6062 -43.9485 33.4923 GPRESSAVG: 3470000 -16.4716 52.6861 -50.863 55.4538 -14.386 -42.2754 -47.3957 -45.4539 33.0161 TIMING: 3470000 CPU: 10328.6, 0.00295962/step Wall: 10328.6, 0.00295962/step, 1.25784 hours remaining, 206.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3470000 753.9934 2104.6347 1927.4898 104.4752 -205568.0883 17364.0992 0.0000 0.0000 34149.0526 -149164.3434 298.2322 -183313.3960 -149072.1080 299.8149 -213.3721 -187.8345 558764.3514 0.7288 0.7195 PRESSURE: 3470200 -98.0741 -35.4231 103.467 -35.4231 -154.318 63.3738 103.467 63.3739 -338.09 GPRESSURE: 3470200 -95.6676 -28.3804 76.8477 -49.592 -76.5063 91.712 57.0052 74.5827 -311.965 PRESSAVG: 3470200 -17.6059 -79.5949 -1.95729 -79.5949 29.4573 -29.5074 -1.95729 -29.5073 -13.4478 GPRESSAVG: 3470200 -18.1229 -79.3106 -2.37558 -78.1657 28.7123 -29.7844 -4.37954 -30.0363 -12.2359 TIMING: 3470200 CPU: 10329.2, 0.00295204/step Wall: 10329.2, 0.00295204/step, 1.25445 hours remaining, 206.582031 MB of memory in use. ENERGY: 3470200 737.9524 2040.7918 1946.1934 103.6069 -206100.7735 17597.1509 0.0000 0.0000 34511.7784 -149163.2995 301.3999 -183675.0780 -149070.2798 299.2642 -196.8273 -161.3796 557094.6814 -0.5321 -0.5488 PRESSURE: 3470400 232.275 140.48 162.923 140.481 -243.582 8.88861 162.923 8.88929 38.1671 GPRESSURE: 3470400 267.672 83.0576 132.843 120.316 -213.985 -54.1224 234.176 57.0253 72.4781 PRESSAVG: 3470400 -38.9502 -58.4515 1.72364 -58.4515 54.3526 -11.2555 1.72359 -11.2555 -60.5355 GPRESSAVG: 3470400 -37.7639 -56.9577 2.2409 -62.5403 54.5005 -11.184 1.78077 -8.00105 -61.7639 TIMING: 3470400 CPU: 10329.8, 0.00298436/step Wall: 10329.8, 0.00298436/step, 1.26802 hours remaining, 206.582031 MB of memory in use. ENERGY: 3470400 717.6159 2118.1275 1915.1114 108.9891 -206111.8201 17688.8968 0.0000 0.0000 34359.1869 -149203.8925 300.0673 -183563.0794 -149105.7172 299.1607 8.9533 42.0550 556878.2930 -15.0444 -15.0091 PRESSURE: 3470600 265.134 50.6053 28.7271 50.6049 70.0818 -2.79143 28.7269 -2.79028 239.324 GPRESSURE: 3470600 268.518 48.5153 69.8018 34.5068 113.335 58.8783 37.5126 -22.2663 288.06 PRESSAVG: 3470600 25.7126 -48.1473 60.6443 -48.1474 6.3297 -11.3375 60.6442 -11.3376 -41.9085 GPRESSAVG: 3470600 23.2467 -48.0731 60.7625 -48.1807 7.63965 -11.3334 59.6253 -14.0325 -40.6343 TIMING: 3470600 CPU: 10330.4, 0.00298453/step Wall: 10330.4, 0.00298453/step, 1.26793 hours remaining, 206.582031 MB of memory in use. ENERGY: 3470600 722.7328 2059.3604 1927.6966 111.3333 -206545.5796 18029.1425 0.0000 0.0000 34378.8687 -149316.4454 300.2392 -183695.3140 -149217.4419 299.2923 191.5133 223.3044 556693.8252 -3.2887 -3.2493 PRESSURE: 3470800 -287.458 -23.4148 123.509 -23.4137 -47.6615 95.5708 123.509 95.5706 -37.5158 GPRESSURE: 3470800 -200.361 -9.40633 202.352 -51.3325 -14.8701 138.487 -11.5252 54.4574 -59.4723 PRESSAVG: 3470800 -16.8876 -76.2496 48.854 -76.2496 30.0391 -23.8248 48.854 -23.8248 -14.2988 GPRESSAVG: 3470800 -15.669 -76.8377 47.0565 -73.2649 28.732 -24.6664 47.796 -22.958 -14.5429 TIMING: 3470800 CPU: 10331, 0.00293811/step Wall: 10331, 0.00293811/step, 1.24804 hours remaining, 206.582031 MB of memory in use. ENERGY: 3470800 734.5382 2092.3443 1914.4551 122.4014 -205889.2468 17550.4873 0.0000 0.0000 34181.7681 -149293.2524 298.5179 -183475.0205 -149197.2292 298.9934 -124.2117 -91.5677 557096.0325 -0.3824 -0.4933 PRESSURE: 3471000 -185.369 -86.6984 106.456 -86.6992 188.402 9.17695 106.456 9.17673 110.997 GPRESSURE: 3471000 -141.817 -42.4916 155.067 -105.088 202.435 29.8667 25.2868 -42.3176 142.024 PRESSAVG: 3471000 -2.7744 -73.4373 44.985 -73.4374 -59.7009 -21.0572 44.985 -21.0572 51.4946 GPRESSAVG: 3471000 -2.73809 -73.0812 46.2155 -74.3131 -60.1699 -21.8572 46.8967 -20.6198 51.4219 TIMING: 3471000 CPU: 10331.6, 0.0029253/step Wall: 10331.6, 0.0029253/step, 1.24244 hours remaining, 206.582031 MB of memory in use. ENERGY: 3471000 749.6509 2098.8702 1943.0824 110.3256 -206503.1884 17980.3987 0.0000 0.0000 34443.3652 -149177.4954 300.8025 -183620.8607 -149088.4729 299.4530 38.0102 67.5472 557079.1092 -3.6602 -3.8287 PRESSURE: 3471200 24.4669 26.1136 -14.1449 26.1136 267.992 31.6218 -14.1461 31.6225 -69.647 GPRESSURE: 3471200 71.5863 -22.7392 -4.99798 -19.7376 297.982 -25.1437 12.5911 29.9452 -53.4043 PRESSAVG: 3471200 -67.8967 -39.681 -5.20878 -39.681 6.61531 8.63999 -5.20876 8.64 60.98 GPRESSAVG: 3471200 -67.2455 -38.8837 -4.17389 -40.0541 7.43904 9.44888 -5.85788 8.18804 60.0325 TIMING: 3471200 CPU: 10332.2, 0.00295725/step Wall: 10332.2, 0.00295725/step, 1.25585 hours remaining, 206.582031 MB of memory in use. ENERGY: 3471200 718.1976 2079.5583 1934.0805 115.6337 -206027.2441 17817.4798 0.0000 0.0000 34149.4796 -149212.8147 298.2359 -183362.2943 -149124.9251 299.8271 74.2706 105.3880 556480.3104 -0.1004 0.0753 PRESSURE: 3471400 39.6712 -17.8437 -69.6197 -17.8446 247.007 -46.135 -69.6193 -46.1358 90.5982 GPRESSURE: 3471400 70.4115 -88.3689 -78.2476 45.5347 237.523 -48.2917 -53.1076 -25.6208 160.846 PRESSAVG: 3471400 3.76978 34.5765 -6.89862 34.5766 14.8435 39.9902 -6.89858 39.9903 -15.5821 GPRESSAVG: 3471400 2.21073 33.1603 -7.73185 35.9177 14.2095 41.1746 -7.58787 40.8061 -14.1991 TIMING: 3471400 CPU: 10332.8, 0.0029803/step Wall: 10332.8, 0.0029803/step, 1.26547 hours remaining, 206.582031 MB of memory in use. ENERGY: 3471400 710.1073 2074.5784 1940.1415 108.3055 -206635.2010 17974.9207 0.0000 0.0000 34477.8576 -149349.2900 301.1037 -183827.1476 -149252.1516 298.4335 125.7589 156.2602 556331.9812 1.0104 0.7404 PRESSURE: 3471600 23.8269 45.3268 214 45.3267 -102.755 61.9775 213.998 61.9764 291.049 GPRESSURE: 3471600 39.8861 10.2036 125.269 71.6266 -47.377 145.592 225.601 5.07423 316.145 PRESSAVG: 3471600 -9.65086 -33.8119 17.7939 -33.8119 9.58189 -6.03545 17.7939 -6.03533 -16.2192 GPRESSAVG: 3471600 -9.41032 -34.5597 16.9934 -34.6957 10.3482 -7.47 18.5607 -5.70289 -17.3141 TIMING: 3471600 CPU: 10333.4, 0.00297606/step Wall: 10333.4, 0.00297606/step, 1.2635 hours remaining, 206.582031 MB of memory in use. ENERGY: 3471600 769.7452 2102.5460 1943.1292 107.4722 -206455.6737 17921.6555 0.0000 0.0000 34240.5548 -149370.5707 299.0313 -183611.1256 -149278.5127 298.4269 70.7070 102.8846 556684.1684 -5.4294 -5.4587 PRESSURE: 3471800 -142.417 -170.772 101.383 -170.772 -103.218 42.989 101.382 42.988 -39.4137 GPRESSURE: 3471800 -94.0186 -168.871 170.683 -213.653 -61.2057 107.716 61.4015 78.0024 -20.5335 PRESSAVG: 3471800 -58.7479 -11.1865 39.9754 -11.1865 23.417 14.349 39.9754 14.349 16.2421 GPRESSAVG: 3471800 -58.3152 -9.62528 40.5922 -12.21 22.4533 15.3682 41.92 14.1376 17.3797 TIMING: 3471800 CPU: 10334, 0.0029751/step Wall: 10334, 0.0029751/step, 1.26293 hours remaining, 206.582031 MB of memory in use. ENERGY: 3471800 726.8991 2057.1703 1940.8987 118.6484 -206082.4318 17639.5852 0.0000 0.0000 34257.7529 -149341.4771 299.1815 -183599.2300 -149253.4997 298.9229 -95.0162 -58.5859 557960.7349 -6.3629 -6.1607 PRESSURE: 3472000 18.6846 122.462 36.9072 122.462 -58.5674 15.041 36.9069 15.0411 284.477 GPRESSURE: 3472000 89.8561 172.322 52.518 124.541 4.87305 11.1081 -32.7056 -17.3028 257.658 PRESSAVG: 3472000 -21.3301 47.8051 8.82976 47.8051 39.4445 -10.0172 8.82976 -10.0171 -20.7365 GPRESSAVG: 3472000 -20.3707 47.365 9.05987 49.9759 40.3577 -9.65509 5.72679 -10.7972 -22.3327 TIMING: 3472000 CPU: 10334.6, 0.00296367/step Wall: 10334.6, 0.00296367/step, 1.25791 hours remaining, 206.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3472000 738.0973 2061.8985 1925.7075 112.6797 -206437.4322 17842.0766 0.0000 0.0000 34336.2200 -149420.7525 299.8667 -183756.9726 -149319.7221 299.4423 81.5313 117.4624 555906.2427 -0.8740 -0.7819 PRESSURE: 3472200 -179.737 49.0119 -144.808 49.0128 30.736 -29.5944 -144.808 -29.5945 3.06143 GPRESSURE: 3472200 -185.601 9.13169 -193.979 55.4248 92.9981 -37.4755 -187.824 18.9207 46.4428 PRESSAVG: 3472200 -49.2506 20.1224 -16.2304 20.1225 -18.2864 -0.472479 -16.2303 -0.472414 59.373 GPRESSAVG: 3472200 -51.1662 20.57 -17.2725 20.4475 -17.5381 -1.15608 -15.0172 -0.383652 60.5842 TIMING: 3472200 CPU: 10335.2, 0.00296824/step Wall: 10335.2, 0.00296824/step, 1.25969 hours remaining, 206.582031 MB of memory in use. ENERGY: 3472200 750.0153 2049.0184 1947.0206 115.0769 -206209.1916 17543.5074 0.0000 0.0000 34404.8615 -149399.6916 300.4662 -183804.5531 -149299.2816 298.7028 -48.6466 -15.3867 556157.0618 -2.7213 -2.7067 LDB: ============= START OF LOAD BALANCING ============== 10338.7 LDB: ============== END OF LOAD BALANCING =============== 10338.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10338.7 LDB: ============= START OF LOAD BALANCING ============== 10339 LDB: Largest compute 4801 load 0.024587 is 20.8% of average load 0.118205 LDB: Average compute 0.001724 is 1.5% of average load 0.118205 LDB: TIME 10339 LOAD: AVG 0.118205 MAX 0.196969 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.543 MB LDB: TIME 10339 LOAD: AVG 0.118205 MAX 0.196969 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.605 MB LDB: TIME 10339 LOAD: AVG 0.118205 MAX 0.196969 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.605 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10339 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10339 PRESSURE: 3472400 23.4575 92.7121 -4.0813 92.7124 -287.583 16.1153 -4.08139 16.1134 -148.863 GPRESSURE: 3472400 86.4626 98.6013 -40.3978 47.4173 -280.812 -34.3855 -10.5604 22.0669 -111.586 PRESSAVG: 3472400 -14.7738 -39.5877 -2.31424 -39.5876 -34.0386 -25.9551 -2.31422 -25.9552 31.6273 GPRESSAVG: 3472400 -13.7403 -39.9869 -1.44381 -39.8795 -35.1051 -25.8901 -1.76969 -25.1983 31.5299 TIMING: 3472400 CPU: 10335.8, 0.00301867/step Wall: 10335.8, 0.00301867/step, 1.28092 hours remaining, 206.542969 MB of memory in use. ENERGY: 3472400 706.1016 2109.4081 1942.1293 102.6935 -205885.7085 17555.0306 0.0000 0.0000 34181.6273 -149288.7181 298.5167 -183470.3454 -149193.1185 298.8493 -137.6628 -101.9784 557234.9716 -5.7284 -5.7718 PRESSURE: 3472600 -113.01 -170.393 34.9777 -170.392 -100.122 128.495 34.9778 128.496 -29.593 GPRESSURE: 3472600 -38.0993 -195.725 87.666 -6.3366 -128.568 144.893 76.742 153.224 11.5749 PRESSAVG: 3472600 20.7685 -30.9912 -22.2955 -30.9911 -13.1348 -29.5678 -22.2954 -29.5679 17.8554 GPRESSAVG: 3472600 19.8712 -30.5346 -23.1161 -32.032 -11.8554 -29.8015 -20.805 -29.9549 17.4221 TIMING: 3472600 CPU: 10336.3, 0.00293733/step Wall: 10336.3, 0.00293733/step, 1.24624 hours remaining, 206.542969 MB of memory in use. ENERGY: 3472600 698.3723 2066.6038 1940.1029 116.2245 -206182.1065 17638.0613 0.0000 0.0000 34342.8308 -149379.9110 299.9245 -183722.7418 -149271.4997 298.6409 -80.9083 -51.6974 556917.9685 8.4964 8.4793 PRESSURE: 3472800 88.429 -36.2938 165.384 -36.2926 -67.9177 -51.1458 165.384 -51.1448 -96.6198 GPRESSURE: 3472800 95.3396 -1.93924 142.12 -44.4287 6.8522 -13.776 113.421 -2.68869 -71.9429 PRESSAVG: 3472800 -0.756106 -6.77301 -4.89387 -6.77303 -45.2934 -4.42826 -4.89385 -4.42833 31.8475 GPRESSAVG: 3472800 -0.337336 -6.8892 -3.3385 -6.47551 -45.5107 -4.0856 -5.90743 -5.36102 31.7255 TIMING: 3472800 CPU: 10336.9, 0.00292038/step Wall: 10336.9, 0.00292038/step, 1.23889 hours remaining, 206.542969 MB of memory in use. ENERGY: 3472800 716.7242 2076.9110 1940.2223 114.5254 -206219.6702 17783.4394 0.0000 0.0000 34215.7300 -149372.1178 298.8145 -183587.8479 -149277.4897 298.6365 -25.3695 10.0830 556901.0234 -4.7340 -4.7075 PRESSURE: 3473000 -142.307 36.0187 -318.178 36.0187 42.0617 27.6781 -318.177 27.6767 -156.431 GPRESSURE: 3473000 -81.0812 -7.9374 -301.518 35.1398 59.398 15.9337 -319.924 123.719 -131.56 PRESSAVG: 3473000 -6.33104 8.38266 -4.01318 8.38274 -3.63202 59.2584 -4.01305 59.2584 21.6593 GPRESSAVG: 3473000 -5.53272 10.7884 -4.95003 8.28247 -3.91358 59.1375 -5.09941 61.3066 21.7902 TIMING: 3473000 CPU: 10337.5, 0.00294491/step Wall: 10337.5, 0.00294491/step, 1.24913 hours remaining, 206.542969 MB of memory in use. ENERGY: 3473000 774.0813 2068.2417 1950.1321 108.3879 -206419.0789 17886.2496 0.0000 0.0000 34213.2337 -149418.7527 298.7927 -183631.9864 -149319.7147 298.8242 -85.5590 -51.0811 559054.3064 3.8987 4.1146 PRESSURE: 3473200 82.0991 48.4478 38.0909 48.4481 -61.9878 143.891 38.0912 143.892 -216.535 GPRESSURE: 3473200 99.459 43.0237 20.2573 93.346 -46.4904 173.504 75.383 147.41 -149.794 PRESSAVG: 3473200 -11.2311 13.0591 10.9816 13.059 0.944358 13.216 10.9815 13.216 24.3609 GPRESSAVG: 3473200 -10.2751 11.5992 12.5414 12.6773 0.573558 15.809 11.1227 12.5254 23.7796 TIMING: 3473200 CPU: 10338.1, 0.00293973/step Wall: 10338.1, 0.00293973/step, 1.24677 hours remaining, 206.542969 MB of memory in use. ENERGY: 3473200 747.6740 2029.3688 1941.0752 109.9175 -206128.3140 17758.4181 0.0000 0.0000 34106.6095 -149435.2509 297.8615 -183541.8604 -149336.7942 298.8376 -65.4745 -32.2750 559439.2949 4.6914 4.6927 PRESSURE: 3473400 348.642 -30.9519 -19.9442 -30.9516 -150.376 -1.67047 -19.9447 -1.67024 86.7248 GPRESSURE: 3473400 387.628 -84.3518 3.47915 -14.4821 -166.958 -28.8904 16.5984 56.5274 154.273 PRESSAVG: 3473400 34.0069 66.0525 -59.7111 66.0525 -22.91 -13.5457 -59.7111 -13.5457 -14.0765 GPRESSAVG: 3473400 33.1414 63.3901 -61.0201 68.2244 -22.6388 -15.595 -58.2743 -10.7027 -13.469 TIMING: 3473400 CPU: 10338.7, 0.00292871/step Wall: 10338.7, 0.00292871/step, 1.24194 hours remaining, 206.542969 MB of memory in use. ENERGY: 3473400 737.7700 2032.5657 1929.6592 104.6938 -206679.6020 18112.4074 0.0000 0.0000 34166.1114 -149596.3945 298.3811 -183762.5059 -149496.7554 298.9928 94.9967 124.9811 558073.1057 -0.9932 -0.9888 PRESSURE: 3473600 -428.834 74.215 63.6664 74.2134 -156.098 96.2171 63.6664 96.2159 -43.5129 GPRESSURE: 3473600 -355.696 120.217 74.2787 -34.0447 -131.824 78.3518 9.14647 93.5959 -41.9488 PRESSAVG: 3473600 -32.6135 -7.54248 4.95641 -7.54248 -9.49196 -13.2483 4.95638 -13.2484 28.9809 GPRESSAVG: 3473600 -31.6941 -9.19041 4.92166 -5.97817 -8.94722 -13.0523 3.15001 -16.5116 27.8379 TIMING: 3473600 CPU: 10339.3, 0.00292708/step Wall: 10339.3, 0.00292708/step, 1.24108 hours remaining, 206.542969 MB of memory in use. ENERGY: 3473600 745.4045 2046.5884 1934.7159 120.5979 -206147.8208 17560.1744 0.0000 0.0000 34159.5011 -149580.8386 298.3234 -183740.3397 -149484.7291 298.4923 -209.4815 -176.4894 557300.0531 -4.3749 -4.2678 PRESSURE: 3473800 97.3271 -91.1439 -78.912 -91.1442 252.211 15.5563 -78.9123 15.5578 18.6183 GPRESSURE: 3473800 128.612 -64.2449 -180.167 -74.2335 298.011 48.2008 -26.63 -52.8687 35.484 PRESSAVG: 3473800 -50.3122 43.9894 17.6205 43.9894 37.2461 -15.0796 17.6205 -15.0796 27.3418 GPRESSAVG: 3473800 -50.479 48.3634 16.8234 39.7067 36.5626 -13.7464 18.7646 -15.7955 27.7832 TIMING: 3473800 CPU: 10339.9, 0.00293278/step Wall: 10339.9, 0.00293278/step, 1.24334 hours remaining, 206.542969 MB of memory in use. ENERGY: 3473800 725.0347 2065.5250 1903.1332 127.0639 -206467.3632 17968.0269 0.0000 0.0000 34221.7109 -149456.8686 298.8667 -183678.5795 -149360.4941 298.4268 122.7190 154.0359 555888.1874 4.7586 4.6223 PRESSURE: 3474000 -72.4028 -36.7442 44.2102 -36.7446 125.811 -164.761 44.2091 -164.763 116.187 GPRESSURE: 3474000 -4.54964 81.8745 -1.65874 -51.7996 119.317 -200.715 31.2047 -55.7825 157.922 PRESSAVG: 3474000 -33.2193 13.7459 -55.1764 13.7457 35.417 32.3684 -55.1764 32.3684 -5.46652 GPRESSAVG: 3474000 -33.4537 12.8303 -53.7149 14.5472 35.2568 31.1707 -54.9585 32.8462 -4.85883 TIMING: 3474000 CPU: 10340.5, 0.00292915/step Wall: 10340.5, 0.00292915/step, 1.24163 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3474000 756.4112 2068.7880 1912.3535 105.0946 -206261.7864 17987.7864 0.0000 0.0000 34110.4216 -149320.9311 297.8948 -183431.3527 -149224.6789 298.7504 56.5317 90.8963 557985.3995 -1.0896 -1.0186 PRESSURE: 3474200 67.3154 -141.959 -30.0176 -141.961 50.3733 31.4152 -30.0169 31.4145 -97.0974 GPRESSURE: 3474200 166.977 -235.562 -43.7937 -39.8631 40.4434 94.4506 -61.9464 -1.10931 -84.6493 PRESSAVG: 3474200 -114.139 -36.5738 -12.1039 -36.5738 33.7051 -26.7927 -12.1039 -26.7928 46.1594 GPRESSAVG: 3474200 -114.895 -39.719 -11.4957 -35.3186 34.671 -25.4404 -13.689 -28.455 46.1662 TIMING: 3474200 CPU: 10341, 0.00291473/step Wall: 10341, 0.00291473/step, 1.23536 hours remaining, 206.542969 MB of memory in use. ENERGY: 3474200 772.2281 2114.8122 1915.5748 105.9306 -206407.8026 17982.3420 0.0000 0.0000 34311.0339 -149205.8810 299.6468 -183516.9149 -149113.3828 299.3946 6.8638 40.9238 557704.7886 -11.4247 -11.3526 PRESSURE: 3474400 -44.5857 -60.4575 -137.99 -60.4579 -21.3658 -84.4772 -137.991 -84.4768 -88.5049 GPRESSURE: 3474400 -25.664 -58.957 -172.437 -85.7076 5.1299 -82.437 -38.9213 1.66145 -44.6454 PRESSAVG: 3474400 -9.54623 17.994 24.5308 17.9942 22.662 19.0335 24.5308 19.0335 10.3403 GPRESSAVG: 3474400 -8.32916 20.4033 23.6933 17.1823 21.4612 18.0808 22.4024 22.7249 10.314 TIMING: 3474400 CPU: 10341.6, 0.00292527/step Wall: 10341.6, 0.00292527/step, 1.23966 hours remaining, 206.542969 MB of memory in use. ENERGY: 3474400 766.7170 2086.4170 1926.1122 116.8992 -206306.7745 17899.7165 0.0000 0.0000 34331.7446 -149179.1681 299.8277 -183510.9127 -149082.9446 299.8593 -51.4854 -21.7265 557646.2766 7.8187 7.8154 PRESSURE: 3474600 151.233 53.8066 55.3852 53.8075 148.487 -14.0443 55.386 -14.0447 44.8605 GPRESSURE: 3474600 189.722 47.9668 69.7642 -16.9631 143.234 -44.7576 30.3455 35.9295 108.04 PRESSAVG: 3474600 12.0423 -7.72299 -0.196726 -7.72305 -68.1349 -80.6328 -0.196699 -80.6328 52.124 GPRESSAVG: 3474600 11.9593 -8.54853 -0.878478 -9.61821 -68.2134 -79.3183 3.30599 -84.3573 52.0587 TIMING: 3474600 CPU: 10342.2, 0.00293772/step Wall: 10342.2, 0.00293772/step, 1.24478 hours remaining, 206.542969 MB of memory in use. ENERGY: 3474600 779.9539 2087.6117 1932.8019 119.8088 -206366.8550 17889.7466 0.0000 0.0000 34331.3499 -149225.5822 299.8242 -183556.9321 -149124.7146 299.5434 114.8601 146.9987 558482.6275 -1.3228 -1.3985 PRESSURE: 3474800 247.209 42.1808 -16.8996 42.1807 -1.4731 -39.932 -16.8994 -39.9329 -77.9073 GPRESSURE: 3474800 267.244 -8.5874 16.4772 25.4171 48.326 61.3868 -88.0713 -108.959 -51.0475 PRESSAVG: 3474800 13.5355 21.2388 0.552724 21.2388 5.13353 10.7343 0.552792 10.7343 -15.3482 GPRESSAVG: 3474800 14.3933 21.7705 0.665678 24.5929 4.49905 9.64693 0.69077 11.4122 -15.4981 TIMING: 3474800 CPU: 10342.8, 0.0029568/step Wall: 10342.8, 0.0029568/step, 1.2527 hours remaining, 206.542969 MB of memory in use. ENERGY: 3474800 761.9300 2079.2951 1953.7942 123.5077 -206424.5297 17970.5463 0.0000 0.0000 34212.2860 -149323.1704 298.7844 -183535.4563 -149229.7966 299.0273 55.9428 88.1740 559499.4277 1.1070 1.1314 PRESSURE: 3475000 -252.856 -60.1347 -123.001 -60.1344 -59.6061 62.3467 -123.001 62.3469 66.9113 GPRESSURE: 3475000 -240.109 84.3911 -76.5637 -176.872 1.48561 47.8704 -72.1051 48.7783 84.1799 PRESSAVG: 3475000 64.5205 -10.301 15.5145 -10.301 -56.1075 34.4417 15.5144 34.4418 -20.2519 GPRESSAVG: 3475000 63.4799 -11.5094 14.1994 -12.1716 -55.911 33.0105 18.9222 35.2918 -19.9871 TIMING: 3475000 CPU: 10343.4, 0.00293975/step Wall: 10343.4, 0.00293975/step, 1.24531 hours remaining, 206.542969 MB of memory in use. ENERGY: 3475000 753.8991 2089.7980 1947.1897 99.0903 -206150.8798 17799.2587 0.0000 0.0000 34251.0888 -149210.5552 299.1233 -183461.6440 -149102.3271 299.3370 -81.8504 -51.4810 558323.2880 -3.9463 -4.1394 PRESSURE: 3475200 -13.3889 125.348 -201.145 125.348 -152.873 98.6129 -201.146 98.6119 -115.23 GPRESSURE: 3475200 8.73482 25.2083 -171.545 112.349 -31.2365 80.4429 -191.067 183.746 -159.794 PRESSAVG: 3475200 -6.46455 -6.1241 -1.89648 -6.12425 -48.8876 -16.0743 -1.89656 -16.0744 8.91284 GPRESSAVG: 3475200 -6.44223 -6.19075 -1.05035 -6.63838 -47.3216 -15.6701 -2.28606 -16.4408 8.26677 TIMING: 3475200 CPU: 10344, 0.00293823/step Wall: 10344, 0.00293823/step, 1.2445 hours remaining, 206.542969 MB of memory in use. ENERGY: 3475200 740.6312 2075.4086 1935.5383 127.6686 -205991.3597 17701.9592 0.0000 0.0000 34292.5325 -149117.6214 299.4852 -183410.1539 -149024.0367 299.1080 -93.8308 -60.7651 558472.5043 -15.4798 -15.1657 PRESSURE: 3475400 63.7848 -31.6835 -43.8311 -31.685 109.135 28.7547 -43.8326 28.7546 -184.022 GPRESSURE: 3475400 117.192 -36.6366 -16.4727 -34.7235 94.8644 -25.5238 -97.5488 -3.39609 -121.309 PRESSAVG: 3475400 16.4218 -33.631 -17.5468 -33.631 18.1304 -41.7273 -17.5469 -41.7274 -24.4109 GPRESSAVG: 3475400 17.084 -31.9879 -17.2448 -33.0012 17.8953 -41.8753 -19.2494 -41.3461 -24.8676 TIMING: 3475400 CPU: 10344.6, 0.00295612/step Wall: 10344.6, 0.00295612/step, 1.25192 hours remaining, 206.542969 MB of memory in use. ENERGY: 3475400 762.3921 2041.7513 1930.8894 118.0560 -206389.7403 17972.6794 0.0000 0.0000 34329.0497 -149234.9223 299.8041 -183563.9720 -149132.9908 299.1696 -3.7007 30.2493 557826.7161 3.3804 3.3706 PRESSURE: 3475600 96.689 -43.33 -211.873 -43.3303 -34.9596 -42.7145 -211.874 -42.7139 -312.018 GPRESSURE: 3475600 135.633 -44.0182 -224.827 -85.0363 -70.5763 -17.2482 -202.837 -94.0772 -217.528 PRESSAVG: 3475600 3.4381 -16.9801 -62.4397 -16.98 34.7463 -23.6487 -62.4397 -23.6489 -38.0786 GPRESSAVG: 3475600 4.16324 -18.6392 -63.5906 -15.6392 32.8656 -23.0276 -60.3749 -23.0025 -37.1943 TIMING: 3475600 CPU: 10345.2, 0.00296057/step Wall: 10345.2, 0.00296057/step, 1.25364 hours remaining, 206.542969 MB of memory in use. ENERGY: 3475600 743.0395 2117.3835 1956.9326 115.0184 -206241.4642 17786.3098 0.0000 0.0000 34100.0573 -149422.7231 297.8043 -183522.7804 -149328.4130 298.9919 -83.4296 -50.8236 558282.5906 0.0352 -0.0551 PRESSURE: 3475800 -97.3867 76.1668 20.058 76.1658 22.085 14.1944 20.0583 14.1948 216.557 GPRESSURE: 3475800 -54.0148 137.966 -14.8991 37.873 58.6292 80.6232 54.8877 -12.0812 235.156 PRESSAVG: 3475800 -28.103 0.7138 -25.0722 0.71389 63.5857 -19.6926 -25.0722 -19.6925 -3.3187 GPRESSAVG: 3475800 -28.0848 1.87897 -25.4022 0.217215 65.2604 -21.4436 -25.8306 -19.3969 -5.10468 TIMING: 3475800 CPU: 10345.8, 0.00297133/step Wall: 10345.8, 0.00297133/step, 1.25803 hours remaining, 206.542969 MB of memory in use. ENERGY: 3475800 756.5678 2067.5732 1922.4260 130.0294 -206610.9969 18039.7234 0.0000 0.0000 34512.8728 -149181.8043 301.4095 -183694.6770 -149089.6453 300.2565 47.0851 79.9234 558599.0274 10.7213 10.6903 PRESSURE: 3476000 216.526 -130.432 41.2327 -130.433 37.5847 45.0238 41.2326 45.0238 190.704 GPRESSURE: 3476000 248.598 -111.913 82.6522 -140.008 93.3922 62.0105 -64.0502 78.4824 202.193 PRESSAVG: 3476000 33.526 -64.6881 -24.2981 -64.6882 7.14051 -46.4495 -24.298 -46.4495 12.9432 GPRESSAVG: 3476000 32.7745 -65.8895 -22.0483 -62.9194 7.53712 -44.7242 -23.9024 -47.8423 13.7395 TIMING: 3476000 CPU: 10346.3, 0.00296762/step Wall: 10346.3, 0.00296762/step, 1.25629 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3476000 741.5185 2039.9951 1933.6097 120.9282 -206335.0859 17850.8505 0.0000 0.0000 34397.9608 -149250.2231 300.4059 -183648.1839 -149155.9419 299.6235 148.2715 181.3945 555964.6766 17.8699 18.0170 PRESSURE: 3476200 51.0765 178.697 13.3012 178.697 -125.479 -147.839 13.3013 -147.839 173.4 GPRESSURE: 3476200 80.8266 253.271 81.0025 165.694 -70.3151 -122.983 -23.518 -175.093 183.407 PRESSAVG: 3476200 21.4409 -23.3461 18.8326 -23.346 48.1073 -32.7299 18.8325 -32.7298 -36.1372 GPRESSAVG: 3476200 21.2054 -23.8553 17.5443 -24.4105 47.5514 -33.1361 16.7271 -32.9894 -34.8738 TIMING: 3476200 CPU: 10346.9, 0.00295603/step Wall: 10346.9, 0.00295603/step, 1.25122 hours remaining, 206.542969 MB of memory in use. ENERGY: 3476200 758.8796 2143.6855 1961.5591 120.7849 -206299.7000 17836.1930 0.0000 0.0000 34309.3691 -149169.2289 299.6323 -183478.5979 -149071.3223 299.9232 32.9994 64.6395 556672.8139 11.1370 11.2943 LDB: ============= START OF LOAD BALANCING ============== 10350.5 LDB: ============== END OF LOAD BALANCING =============== 10350.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10350.5 LDB: ============= START OF LOAD BALANCING ============== 10350.8 LDB: Largest compute 4801 load 0.023930 is 20.2% of average load 0.118209 LDB: Average compute 0.001726 is 1.5% of average load 0.118209 LDB: TIME 10350.8 LOAD: AVG 0.118209 MAX 0.197063 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.574 MB LDB: TIME 10350.8 LOAD: AVG 0.118209 MAX 0.197063 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.578 MB LDB: TIME 10350.8 LOAD: AVG 0.118209 MAX 0.197063 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.578 MB LDB: ============== END OF LOAD BALANCING =============== 10350.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10350.8 PRESSURE: 3476400 159.892 -34.6821 3.92885 -34.6823 107.489 7.5938 3.92792 7.59286 -153.814 GPRESSURE: 3476400 269.57 54.9917 40.9345 -51.0808 75.4358 18.6213 -68.1366 -49.6387 -126.197 PRESSAVG: 3476400 20.9751 5.93306 -18.6938 5.93312 21.4108 -42.1014 -18.6937 -42.1013 18.1204 GPRESSAVG: 3476400 21.0607 6.90445 -17.8216 5.70649 21.2275 -41.3256 -18.3395 -42.7303 17.8213 TIMING: 3476400 CPU: 10347.5, 0.00302391/step Wall: 10347.5, 0.00302391/step, 1.27979 hours remaining, 208.593750 MB of memory in use. ENERGY: 3476400 762.5372 2118.4583 1947.9342 112.8195 -206468.1343 17949.6551 0.0000 0.0000 34262.2152 -149314.5148 299.2204 -183576.7301 -149220.2868 299.7787 37.8554 72.9364 555678.6071 20.1687 20.0365 PRESSURE: 3476600 -44.1984 110.46 26.3896 110.46 74.9439 -123.991 26.388 -123.991 -232.085 GPRESSURE: 3476600 -42.717 136.249 41.1703 73.1388 112.566 -69.5857 0.0543884 -138.173 -176.464 PRESSAVG: 3476600 9.46686 -9.52441 -34.7991 -9.52456 -20.6213 53.6251 -34.799 53.6251 8.68902 GPRESSAVG: 3476600 7.79054 -10.1933 -36.7766 -11.5306 -19.4433 50.5478 -34.5052 56.493 8.76573 TIMING: 3476600 CPU: 10348.1, 0.00292518/step Wall: 10348.1, 0.00292518/step, 1.23784 hours remaining, 208.664062 MB of memory in use. ENERGY: 3476600 752.7864 2076.6161 1926.1020 114.8949 -206061.3516 17533.4320 0.0000 0.0000 34417.9255 -149239.5947 300.5803 -183657.5202 -149140.3356 299.4800 -67.1130 -35.5384 554943.4209 -0.8218 -0.9623 PRESSURE: 3476800 -27.3868 98.1155 -66.9543 98.1151 -88.9952 -33.6391 -66.9543 -33.6411 23.8536 GPRESSURE: 3476800 85.4212 89.6819 -28.4796 44.7841 -64.5639 -37.9057 -61.7931 28.9384 -19.7996 PRESSAVG: 3476800 -8.35322 8.59725 25.2756 8.59729 32.9975 18.4889 25.2757 18.4889 39.4677 GPRESSAVG: 3476800 -7.05703 9.62388 26.279 10.012 32.1277 18.1843 27.0628 17.9217 39.1952 TIMING: 3476800 CPU: 10348.7, 0.0029341/step Wall: 10348.7, 0.0029341/step, 1.24145 hours remaining, 208.664062 MB of memory in use. ENERGY: 3476800 808.2674 2090.5771 1941.2197 114.8578 -206358.1732 17857.6142 0.0000 0.0000 34458.0598 -149087.5773 300.9308 -183545.6370 -148992.9351 300.2272 -30.8428 0.3526 556090.6776 21.3707 21.4219 PRESSURE: 3477000 6.53523 -98.9876 168.393 -98.9876 -183.077 15.3842 168.392 15.3837 -306.173 GPRESSURE: 3477000 41.2843 -149.184 105.472 -32.3426 -144.784 37.0808 141.975 -3.35055 -288.252 PRESSAVG: 3477000 -38.4058 19.84 -37.3864 19.84 19.1423 -24.6328 -37.3863 -24.6329 -9.66961 GPRESSAVG: 3477000 -38.5476 20.5196 -35.6964 19.3363 19.6838 -24.1141 -39.1203 -25.2559 -9.82354 TIMING: 3477000 CPU: 10349.3, 0.0029254/step Wall: 10349.3, 0.0029254/step, 1.23761 hours remaining, 208.664062 MB of memory in use. ENERGY: 3477000 759.5614 2119.2577 1947.1193 113.7160 -205754.7712 17500.6395 0.0000 0.0000 34217.2017 -149097.2756 298.8273 -183314.4773 -149001.4839 299.6276 -160.9049 -130.5840 556764.5346 -9.6444 -9.5624 PRESSURE: 3477200 -124.531 -33.4409 193.48 -33.4407 -130.354 95.6473 193.481 95.6469 -22.802 GPRESSURE: 3477200 -57.9824 64.727 125.082 -52.313 -96.9343 60.6996 129.444 57.6436 -12.5351 PRESSAVG: 3477200 -81.6267 9.54774 8.22965 9.54783 101.892 -91.3856 8.2297 -91.3856 -15.3766 GPRESSAVG: 3477200 -80.4069 7.55083 5.01523 10.5129 102.014 -90.5647 9.89287 -91.4811 -16.2542 TIMING: 3477200 CPU: 10349.9, 0.00290681/step Wall: 10349.9, 0.00290681/step, 1.22958 hours remaining, 208.664062 MB of memory in use. ENERGY: 3477200 719.5564 2142.7845 1947.6398 111.3328 -205809.6606 17631.6067 0.0000 0.0000 34218.4058 -149038.3347 298.8378 -183256.7405 -148944.0349 299.9196 -92.5625 -55.8173 556999.4174 1.6296 1.7844 PRESSURE: 3477400 -103.45 -4.22834 -51.9806 -4.22851 -1.52459 -132.983 -51.9791 -132.984 -203.871 GPRESSURE: 3477400 -122.255 13.3024 -99.8808 -6.93936 48.0141 -130.602 -85.1318 -123.119 -132.532 PRESSAVG: 3477400 -7.26027 21.6909 -12.0227 21.6908 -28.8017 -2.61821 -12.0228 -2.61816 37.6151 GPRESSAVG: 3477400 -8.33225 22.9408 -10.6173 22.3747 -28.0854 -0.582519 -11.8303 -2.14341 37.8896 TIMING: 3477400 CPU: 10350.5, 0.00291576/step Wall: 10350.5, 0.00291576/step, 1.23321 hours remaining, 208.664062 MB of memory in use. ENERGY: 3477400 781.5517 2152.8518 1940.4607 102.9741 -205776.5143 17589.7013 0.0000 0.0000 34109.7791 -149099.1956 297.8892 -183208.9747 -149002.0494 299.3593 -102.9485 -68.9243 557388.8266 0.5177 0.4907 PRESSURE: 3477600 -119.394 141.765 -47.3335 141.766 8.48264 82.657 -47.3335 82.6563 -2.15075 GPRESSURE: 3477600 -58.8915 91.4854 -34.613 159.376 14.1609 82.8338 -100.9 47.3559 46.8898 PRESSAVG: 3477600 -30.3046 88.9269 -39.6673 88.9269 -14.871 -1.12776 -39.6673 -1.12783 56.7529 GPRESSAVG: 3477600 -31.0305 87.0806 -40.3141 87.197 -15.3614 -2.68966 -40.3597 -1.88877 58.0925 TIMING: 3477600 CPU: 10351, 0.00292616/step Wall: 10351, 0.00292616/step, 1.23744 hours remaining, 208.664062 MB of memory in use. ENERGY: 3477600 741.4487 2102.2848 1919.5062 106.5008 -205767.2733 17524.1090 0.0000 0.0000 34387.0627 -148986.3612 300.3108 -183373.4239 -148896.4291 299.7897 -37.6875 0.7198 557198.3667 3.8591 3.9002 PRESSURE: 3477800 -63.5959 213.261 -114.702 213.262 -179.802 -83.5399 -114.702 -83.5401 -111.282 GPRESSURE: 3477800 -58.7382 125.394 -112.231 333.751 -112.929 -31.8325 -118.739 -102.08 -93.0555 PRESSAVG: 3477800 37.2208 57.175 -11.0065 57.1751 -57.5643 -6.3724 -11.0064 -6.37232 21.1189 GPRESSAVG: 3477800 38.4456 57.1226 -10.8126 59.2695 -56.584 -6.16878 -11.7118 -6.3366 18.7088 TIMING: 3477800 CPU: 10351.6, 0.00290899/step Wall: 10351.6, 0.00290899/step, 1.23002 hours remaining, 208.664062 MB of memory in use. ENERGY: 3477800 713.8380 2125.7457 1926.4084 106.3705 -205911.1096 17606.2436 0.0000 0.0000 34183.0559 -149249.4475 298.5291 -183432.5034 -149153.3939 299.8524 -118.2267 -88.2408 556899.7729 0.2585 0.1901 PRESSURE: 3478000 -132.829 -17.0104 155.192 -17.0109 -217.238 -36.2347 155.192 -36.2353 30.1399 GPRESSURE: 3478000 -86.6212 71.3996 69.2859 -21.8137 -139.591 -71.8507 102.615 -35.9104 6.15819 PRESSAVG: 3478000 24.4734 63.0003 -32.7599 63.0004 -35.4472 2.9684 -32.76 2.96847 34.6149 GPRESSAVG: 3478000 25.4265 63.196 -32.5726 62.1276 -37.1374 2.74403 -32.2588 3.77698 34.4605 TIMING: 3478000 CPU: 10352.2, 0.00292647/step Wall: 10352.2, 0.00292647/step, 1.23725 hours remaining, 208.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3478000 777.0274 2077.8707 1964.0895 129.5602 -206476.3004 17841.7507 0.0000 0.0000 34271.3784 -149414.6234 299.3005 -183686.0018 -149306.5136 299.3419 -106.6421 -73.3512 555978.5879 7.8803 7.5832 PRESSURE: 3478200 -39.3309 166 -55.3509 166.001 -136.62 -29.5599 -55.3522 -29.5608 -229.573 GPRESSURE: 3478200 -77.0797 149.461 -92.0755 191.23 -131.402 -65.2207 -73.7346 109.25 -110.151 PRESSAVG: 3478200 -75.6238 -14.4063 -76.74 -14.4063 7.86221 3.50563 -76.74 3.50561 58.8138 GPRESSAVG: 3478200 -76.6011 -14.3663 -75.6721 -15.1435 6.90676 2.40044 -77.0808 3.49009 60.1972 TIMING: 3478200 CPU: 10352.8, 0.00294705/step Wall: 10352.8, 0.00294705/step, 1.24579 hours remaining, 208.664062 MB of memory in use. ENERGY: 3478200 763.4963 2144.8297 1920.4764 113.7036 -206136.4890 17638.1350 0.0000 0.0000 34249.8979 -149305.9501 299.1129 -183555.8479 -149212.4844 298.8196 -135.1747 -106.2109 557325.6623 -2.9826 -3.1657 PRESSURE: 3478400 1.28324 23.7059 -74.9459 23.7054 -182.342 194.667 -74.945 194.668 73.1762 GPRESSURE: 3478400 28.6915 -38.3073 0.742782 99.1773 -155.958 215.116 -10.0601 153.915 113.741 PRESSAVG: 3478400 -52.4116 51.7431 -62.7712 51.7431 78.5794 66.8953 -62.7713 66.8954 2.91985 GPRESSAVG: 3478400 -53.4857 50.8722 -62.2746 50.8222 79.7209 68.0984 -64.1514 66.8174 3.32002 TIMING: 3478400 CPU: 10353.4, 0.00295624/step Wall: 10353.4, 0.00295624/step, 1.24951 hours remaining, 208.664062 MB of memory in use. ENERGY: 3478400 737.1902 2121.8202 1933.1871 125.4955 -206326.1757 17805.1447 0.0000 0.0000 34116.6202 -149486.7177 297.9489 -183603.3379 -149392.5699 298.5856 -35.9608 -4.5084 555680.1882 9.6959 9.8517 PRESSURE: 3478600 -2.30057 -14.2232 -72.3324 -14.2233 126.461 -29.2142 -72.3333 -29.2133 -53.2374 GPRESSURE: 3478600 -50.7519 -21.804 -121.797 81.2085 180.643 46.739 -123.151 -111.371 41.3015 PRESSAVG: 3478600 -43.3085 1.15223 0.957529 1.15229 17.2444 29.4709 0.957666 29.4709 57.0806 GPRESSAVG: 3478600 -42.5571 2.06845 0.1736 3.0632 16.9789 31.1636 1.16839 27.2472 56.9024 TIMING: 3478600 CPU: 10354, 0.00296714/step Wall: 10354, 0.00296714/step, 1.25394 hours remaining, 208.664062 MB of memory in use. ENERGY: 3478600 751.3302 2084.5961 1925.0713 117.2591 -206448.0289 17799.8380 0.0000 0.0000 34266.3208 -149503.6135 299.2563 -183769.9342 -149403.2835 298.6734 23.6411 57.0641 556686.7547 10.3388 10.4414 PRESSURE: 3478800 90.4974 53.6726 -14.8162 53.6732 50.0406 59.9403 -14.8167 59.9389 92.7364 GPRESSURE: 3478800 127.901 58.3988 88.25 5.57258 129.76 63.8229 -128.607 52.9633 83.5741 PRESSAVG: 3478800 21.3892 -33.9286 3.30776 -33.9286 -1.70215 -16.8821 3.30777 -16.882 -5.7466 GPRESSAVG: 3478800 22.42 -33.843 3.33486 -36.1334 -1.47506 -18.687 2.96034 -14.0661 -6.21157 TIMING: 3478800 CPU: 10354.6, 0.00295003/step Wall: 10354.6, 0.00295003/step, 1.24655 hours remaining, 208.664062 MB of memory in use. ENERGY: 3478800 729.9508 2101.1561 1936.9797 124.2766 -206397.6264 17974.6409 0.0000 0.0000 34087.7204 -149442.9019 297.6965 -183530.6223 -149349.1019 298.7967 77.7581 113.7449 556581.7675 4.6468 4.9111 PRESSURE: 3479000 136.258 107.456 -27.8963 107.454 299.795 105.43 -27.896 105.429 221.85 GPRESSURE: 3479000 159.245 125.105 -86.9956 73.6293 362.682 139.164 41.1429 59.9882 244.893 PRESSAVG: 3479000 13.7206 31.2632 -29.4966 31.2633 -14.4652 3.43576 -29.4967 3.43569 -10.1013 GPRESSAVG: 3479000 12.2528 30.5782 -31.3171 32.7916 -12.7104 0.972949 -28.4108 4.32936 -10.8971 TIMING: 3479000 CPU: 10355.2, 0.00295509/step Wall: 10355.2, 0.00295509/step, 1.24853 hours remaining, 208.664062 MB of memory in use. ENERGY: 3479000 754.7331 2052.3024 1932.1887 98.7268 -206557.2202 18060.7689 0.0000 0.0000 34190.3341 -149468.1661 298.5927 -183658.5002 -149365.5397 299.0069 219.3010 255.6064 555715.6202 -3.6153 -3.7849 PRESSURE: 3479200 260.494 64.6106 55.1526 64.6098 51.8851 112.292 55.1537 112.291 139.279 GPRESSURE: 3479200 270.901 -29.4215 115.485 41.8246 98.7992 151.728 -12.3477 134.813 179.32 PRESSAVG: 3479200 34.8871 25.2014 -34.0637 25.2014 -34.3213 24.3834 -34.0637 24.3834 -18.6387 GPRESSAVG: 3479200 35.0529 28.2507 -33.0856 23.5747 -35.2801 23.793 -34.8856 21.667 -18.075 TIMING: 3479200 CPU: 10355.8, 0.00295948/step Wall: 10355.8, 0.00295948/step, 1.25021 hours remaining, 208.664062 MB of memory in use. ENERGY: 3479200 743.4893 2061.9036 1900.4592 107.4572 -206465.1933 18040.2250 0.0000 0.0000 34356.4756 -149255.1834 300.0436 -183611.6590 -149159.1514 298.7421 150.5526 183.0065 555929.2327 -6.0243 -6.1007 PRESSURE: 3479400 198.727 87.6481 -46.1223 87.6479 142.302 19.7042 -46.1217 19.7053 64.6389 GPRESSURE: 3479400 219.609 -20.0379 -37.1273 233.78 170.735 -103.912 -57.2112 32.4726 101.085 PRESSAVG: 3479400 11.7405 11.9971 -26.9895 11.9971 -25.0684 50.7127 -26.9896 50.7128 -0.851648 GPRESSAVG: 3479400 11.4729 9.82184 -27.5596 11.1616 -26.0712 51.0942 -25.6124 50.2899 0.0443174 TIMING: 3479400 CPU: 10356.4, 0.00295263/step Wall: 10356.4, 0.00295263/step, 1.24716 hours remaining, 208.664062 MB of memory in use. ENERGY: 3479400 741.8128 2091.0784 1934.6818 120.7562 -206089.6424 17972.9465 0.0000 0.0000 34187.0451 -149041.3216 298.5640 -183228.3667 -148945.5258 298.9847 135.2225 163.8095 557655.1139 -4.7265 -4.8513 PRESSURE: 3479600 -61.888 -120.014 -148.071 -120.014 -150.758 -28.0036 -148.07 -28.0017 -27.0607 GPRESSURE: 3479600 -8.02794 -143.942 -145.465 -53.9005 -151.903 -48.3268 -83.262 40.7824 13.3774 PRESSAVG: 3479600 -8.24475 -56.0799 -25.7046 -56.0799 1.28034 75.0497 -25.7046 75.0498 17.6022 GPRESSAVG: 3479600 -7.11757 -54.1223 -24.6581 -54.7886 1.84772 77.6296 -26.817 75.1506 16.1445 TIMING: 3479600 CPU: 10356.9, 0.00293388/step Wall: 10356.9, 0.00293388/step, 1.23907 hours remaining, 208.664062 MB of memory in use. ENERGY: 3479600 714.3476 2092.1849 1938.7786 117.4188 -205884.1082 17438.0298 0.0000 0.0000 34414.9956 -149168.3528 300.5547 -183583.3485 -149076.6125 300.5515 -79.9022 -48.8511 556089.2331 3.5459 3.6249 PRESSURE: 3479800 -140.227 -141.44 -103.07 -141.441 -61.1317 21.2981 -103.07 21.2984 321.983 GPRESSURE: 3479800 -121.56 -190.669 -78.9645 -121.362 -4.97656 23.6812 -79.5124 -25.152 341.917 PRESSAVG: 3479800 -68.2328 -41.0728 -10.6543 -41.0728 52.1545 -12.9102 -10.6544 -12.9102 20.9272 GPRESSAVG: 3479800 -68.2559 -44.6161 -11.8279 -41.9058 51.4786 -15.9314 -8.69876 -11.1322 21.3675 TIMING: 3479800 CPU: 10357.5, 0.00293366/step Wall: 10357.5, 0.00293366/step, 1.23882 hours remaining, 208.664062 MB of memory in use. ENERGY: 3479800 736.6085 2072.4419 1953.0522 109.5425 -206251.7732 17886.2484 0.0000 0.0000 34277.9708 -149215.9088 299.3580 -183493.8796 -149126.5549 299.1984 40.2081 71.7935 557091.2442 1.6163 1.5301 PRESSURE: 3480000 70.1163 88.5349 57.4458 88.5358 -79.6293 5.60531 57.4461 5.60622 234.622 GPRESSURE: 3480000 98.0318 95.5762 80.7512 54.665 -65.5379 153.415 19.1119 -78.2702 285.396 PRESSAVG: 3480000 1.57861 -25.2322 -38.8317 -25.2322 -0.202095 28.2001 -38.8318 28.2001 65.5293 GPRESSAVG: 3480000 0.620981 -22.6799 -39.0903 -24.3163 0.449588 29.015 -38.7399 27.6727 66.1072 TIMING: 3480000 CPU: 10358.1, 0.00293693/step Wall: 10358.1, 0.00293693/step, 1.24004 hours remaining, 208.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3480000 717.8546 2075.6225 1948.7237 97.2392 -205773.3182 17644.5557 0.0000 0.0000 34219.2116 -149070.1108 298.8449 -183289.3224 -148974.2765 299.0661 75.0362 105.9632 556096.1554 22.3019 22.3926 PRESSURE: 3480200 -71.5696 -92.8227 97.6607 -92.8229 -27.869 7.31458 97.6612 7.31282 0.0358523 GPRESSURE: 3480200 -45.8429 -39.4078 140.771 -64.0786 36.5728 51.8155 115.78 -63.4405 13.1827 PRESSAVG: 3480200 -36.1554 1.57891 19.8282 1.57894 48.4322 -3.10457 19.8283 -3.1046 30.9441 GPRESSAVG: 3480200 -36.5595 0.9675 22.859 1.60268 47.0997 -2.59725 14.7963 -4.31894 32.2444 TIMING: 3480200 CPU: 10358.7, 0.00297028/step Wall: 10358.7, 0.00297028/step, 1.25395 hours remaining, 208.664062 MB of memory in use. ENERGY: 3480200 774.8452 2096.2897 1929.2035 103.1231 -205951.1246 17676.6234 0.0000 0.0000 34178.4826 -149192.5570 298.4892 -183371.0396 -149094.2463 298.6070 -33.1342 1.3042 556092.2883 14.4070 14.2615 LDB: ============= START OF LOAD BALANCING ============== 10362.3 LDB: ============== END OF LOAD BALANCING =============== 10362.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10362.3 LDB: ============= START OF LOAD BALANCING ============== 10362.6 LDB: Largest compute 4802 load 0.022673 is 19.2% of average load 0.118208 LDB: Average compute 0.001717 is 1.5% of average load 0.118208 LDB: TIME 10362.6 LOAD: AVG 0.118208 MAX 0.197437 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.633 MB LDB: TIME 10362.6 LOAD: AVG 0.118208 MAX 0.197437 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.633 MB LDB: TIME 10362.6 LOAD: AVG 0.118208 MAX 0.197437 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.633 MB LDB: ============== END OF LOAD BALANCING =============== 10362.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10362.6 PRESSURE: 3480400 -129.153 -46.3886 232.766 -46.3883 -188.429 -44.5798 232.767 -44.5812 -25.2222 GPRESSURE: 3480400 -69.2375 7.72395 224.569 -31.9202 -141.798 2.55739 92.4919 2.90968 -31.7434 PRESSAVG: 3480400 0.620756 43.6065 69.9381 43.6066 -26.8408 1.87993 69.9381 1.87997 -1.01208 GPRESSAVG: 3480400 1.46195 43.4239 68.6546 41.4126 -26.3443 2.24391 71.5925 1.99058 -2.93104 TIMING: 3480400 CPU: 10359.3, 0.00301963/step Wall: 10359.3, 0.00301963/step, 1.27462 hours remaining, 206.343750 MB of memory in use. ENERGY: 3480400 746.2318 2105.3972 1931.6955 116.7236 -206136.1585 17680.2367 0.0000 0.0000 34393.7808 -149162.0930 300.3694 -183555.8737 -149070.8968 299.8815 -114.2683 -80.9262 557780.1929 -9.0774 -9.2711 PRESSURE: 3480600 -348.703 -43.792 101.905 -43.7925 -11.3454 98.8165 101.905 98.8162 -115.155 GPRESSURE: 3480600 -316.525 -50.7798 -0.655559 -53.9984 4.2017 71.9418 139.017 62.8471 -73.0398 PRESSAVG: 3480600 12.2075 -1.94442 38.1948 -1.94452 -38.7467 49.0144 38.1949 49.0145 4.92775 GPRESSAVG: 3480600 12.3498 -1.25961 37.566 -0.46975 -38.3995 51.0119 39.896 48.8885 4.74708 TIMING: 3480600 CPU: 10359.9, 0.00296563/step Wall: 10359.9, 0.00296563/step, 1.25166 hours remaining, 206.343750 MB of memory in use. ENERGY: 3480600 740.9491 2102.6269 1924.1396 111.3443 -205847.7355 17548.5345 0.0000 0.0000 34370.0031 -149050.1380 300.1618 -183420.1411 -148953.4594 299.2195 -158.4012 -128.4543 557879.0888 -7.2038 -7.1009 PRESSURE: 3480800 -114.879 -146.044 -60.6432 -146.043 48.457 -250.733 -60.6434 -250.732 209.013 GPRESSURE: 3480800 -110.354 -177.105 -89.7619 -20.2696 139.726 -245.563 -75.8967 -285.194 218.586 PRESSAVG: 3480800 34.5852 -54.6272 -9.55872 -54.6271 -22.1045 -12.6442 -9.55865 -12.6443 -10.225 GPRESSAVG: 3480800 34.6696 -56.1168 -8.90185 -53.2865 -23.0716 -13.5582 -9.64865 -13.5442 -9.18203 TIMING: 3480800 CPU: 10360.5, 0.00292718/step Wall: 10360.5, 0.00292718/step, 1.23527 hours remaining, 206.343750 MB of memory in use. ENERGY: 3480800 757.1341 2030.1862 1945.0607 124.6254 -206365.1569 17934.1198 0.0000 0.0000 34437.7183 -149136.3124 300.7532 -183574.0307 -149041.8991 300.3013 47.5305 82.6527 556739.2775 0.7519 0.8053 PRESSURE: 3481000 -196.777 59.9158 -90.7143 59.9151 -44.3832 -74.7295 -90.7135 -74.7292 -344.458 GPRESSURE: 3481000 -175.002 35.2754 -124.454 32.5622 -9.36633 36.2327 -60.9857 -147.02 -318.755 PRESSAVG: 3481000 -9.23415 57.9215 49.7473 57.9214 -24.8916 -46.421 49.7474 -46.4209 37.4659 GPRESSAVG: 3481000 -10.4922 59.5642 47.9823 55.5706 -23.9915 -46.6036 48.0839 -45.7777 37.2859 TIMING: 3481000 CPU: 10361.1, 0.00293878/step Wall: 10361.1, 0.00293878/step, 1.24 hours remaining, 206.343750 MB of memory in use. ENERGY: 3481000 723.8844 2050.9013 1934.4013 111.9045 -205377.6894 17431.3420 0.0000 0.0000 33899.1342 -149226.1218 296.0496 -183125.2560 -149135.5042 299.4030 -195.2062 -167.7078 559000.2964 1.1134 0.9341 PRESSURE: 3481200 52.8683 -122.979 -5.71408 -122.981 -201.249 -140.874 -5.71529 -140.875 -74.9779 GPRESSURE: 3481200 110.062 -119.692 0.243029 -163.796 -244.562 -103.869 23.8627 -171.764 8.7982 PRESSAVG: 3481200 13.8069 10.4085 11.6479 10.4085 -65.7832 -51.7604 11.648 -51.7603 22.4974 GPRESSAVG: 3481200 14.5477 10.6924 13.9627 11.0489 -67.1205 -52.2571 12.3438 -50.7812 23.1032 TIMING: 3481200 CPU: 10361.7, 0.00293141/step Wall: 10361.7, 0.00293141/step, 1.23673 hours remaining, 206.343750 MB of memory in use. ENERGY: 3481200 761.1330 2063.1961 1951.2180 117.3346 -206152.2988 17751.0668 0.0000 0.0000 34402.2227 -149106.1275 300.4432 -183508.3502 -149011.1810 299.5621 -74.4527 -41.9007 557059.9599 -9.8263 -9.8232 PRESSURE: 3481400 73.73 -16.0811 -40.2026 -16.0809 -46.8231 11.4858 -40.2027 11.4849 74.9401 GPRESSURE: 3481400 56.2703 -5.60138 14.5125 -12.5155 -7.82183 -11.6577 -93.0657 -34.4818 154.91 PRESSAVG: 3481400 13.5911 31.7988 1.28493 31.7989 -1.45517 -34.4749 1.28483 -34.4749 26.6648 GPRESSAVG: 3481400 13.4678 32.8989 2.75927 31.4744 -1.32116 -33.6329 1.18231 -34.9783 26.1465 TIMING: 3481400 CPU: 10362.3, 0.00294495/step Wall: 10362.3, 0.00294495/step, 1.24228 hours remaining, 206.343750 MB of memory in use. ENERGY: 3481400 711.2049 2030.9262 1932.5770 106.3590 -205900.6555 17744.9920 0.0000 0.0000 34352.6271 -149021.9694 300.0100 -183374.5965 -148921.7503 300.0895 33.9490 67.7861 556493.1690 12.9336 12.7644 PRESSURE: 3481600 -83.973 1.79426 14.6345 1.79407 233.018 -48.7478 14.6333 -48.7486 -214.513 GPRESSURE: 3481600 -26.8259 -106.865 89.65 0.153283 259.519 -64.9369 -64.7461 -47.258 -198.661 PRESSAVG: 3481600 57.3288 -13.2905 40.7198 -13.2906 -26.7757 -106.79 40.7197 -106.79 -27.7442 GPRESSAVG: 3481600 56.2908 -16.7194 39.0982 -12.5633 -26.7124 -107.479 41.1243 -105.916 -26.6683 TIMING: 3481600 CPU: 10362.8, 0.00293884/step Wall: 10362.8, 0.00293884/step, 1.23954 hours remaining, 206.343750 MB of memory in use. ENERGY: 3481600 756.3118 2061.4253 1915.8886 126.6729 -206401.2987 17815.0595 0.0000 0.0000 34767.8114 -148958.1292 303.6359 -183725.9407 -148865.7087 300.3932 -21.8228 11.3440 556911.2585 0.9363 0.9700 PRESSURE: 3481800 -329.966 -203.164 70.8249 -203.162 -279.981 -12.1806 70.8257 -12.1797 45.9421 GPRESSURE: 3481800 -194.693 -157.778 150.161 -190.492 -279.776 -49.2278 -115.419 -107.323 31.9245 PRESSAVG: 3481800 -24.1815 -34.9657 7.78561 -34.9658 11.1608 -22.4246 7.78555 -22.4247 32.4435 GPRESSAVG: 3481800 -23.0636 -35.9757 5.61114 -33.4572 12.1894 -23.0135 7.19374 -21.9645 30.5143 TIMING: 3481800 CPU: 10363.4, 0.0029362/step Wall: 10363.4, 0.0029362/step, 1.23826 hours remaining, 206.343750 MB of memory in use. ENERGY: 3481800 706.2386 2131.4122 1927.3098 103.1467 -205664.8958 17492.4088 0.0000 0.0000 34365.0925 -148939.2871 300.1189 -183304.3796 -148841.2610 300.4630 -188.0015 -147.5150 558755.0955 6.4742 6.5467 PRESSURE: 3482000 -28.8918 102.262 49.2018 102.262 93.2056 60.6301 49.2029 60.6307 93.9571 GPRESSURE: 3482000 27.1718 129.873 32.0159 182.672 117.712 42.4025 88.9121 10.19 119.963 PRESSAVG: 3482000 -13.7283 -16.309 2.10388 -16.309 -22.6033 -12.8201 2.10374 -12.8202 41.9356 GPRESSAVG: 3482000 -13.8605 -12.216 3.69723 -18.1707 -22.444 -12.38 2.25162 -14.5911 42.307 TIMING: 3482000 CPU: 10364, 0.00295133/step Wall: 10364, 0.00295133/step, 1.24448 hours remaining, 206.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3482000 676.3772 2039.6638 1932.4995 137.2892 -205840.0196 17500.8192 0.0000 0.0000 34591.5319 -148961.8388 302.0965 -183553.3707 -148872.7281 299.8781 52.7570 88.2822 555925.7915 1.8680 2.0008 PRESSURE: 3482200 -116.097 152.213 -16.7337 152.211 73.7988 -76.8215 -16.7348 -76.8203 -1.26458 GPRESSURE: 3482200 -61.6498 133.001 65.6277 82.12 98.1773 -42.6992 -9.90149 -89.1425 18.0828 PRESSAVG: 3482200 20.5196 -29.8695 10.3374 -29.8696 -30.4065 25.137 10.3374 25.137 9.94402 GPRESSAVG: 3482200 20.9486 -33.8564 11.3482 -29.1915 -30.2097 23.8667 10.3508 26.5396 9.16422 TIMING: 3482200 CPU: 10364.6, 0.00296268/step Wall: 10364.6, 0.00296268/step, 1.2491 hours remaining, 206.343750 MB of memory in use. ENERGY: 3482200 709.8995 2137.8812 1930.7803 103.5594 -205627.4970 17583.5214 0.0000 0.0000 34486.8519 -148675.0033 301.1823 -183161.8552 -148579.2936 300.7726 -14.5211 18.2034 556215.7699 0.0190 -0.0323 PRESSURE: 3482400 -82.1334 -150.29 79.3606 -150.289 -38.697 25.3214 79.3607 25.3203 -104.91 GPRESSURE: 3482400 -52.0881 -169.046 57.8228 -128.236 22.7009 47.4382 54.9699 -47.0219 -81.0452 PRESSAVG: 3482400 17.3064 -20.5448 9.46114 -20.5447 -20.6263 -0.65154 9.46116 -0.651564 -36.8917 GPRESSAVG: 3482400 17.033 -17.3633 9.11262 -18.781 -20.1268 0.751809 8.80932 -1.9699 -37.1366 TIMING: 3482400 CPU: 10365.2, 0.00295782/step Wall: 10365.2, 0.00295782/step, 1.24689 hours remaining, 206.343750 MB of memory in use. ENERGY: 3482400 713.5179 2127.6277 1941.2893 123.4370 -205538.5529 17491.5100 0.0000 0.0000 34416.5564 -148724.6145 300.5683 -183141.1710 -148621.0988 300.8818 -75.2466 -36.8108 554339.5486 -13.4039 -13.4101 PRESSURE: 3482600 67.3024 -28.4267 -194.129 -28.4269 -85.4353 132.529 -194.129 132.528 207.221 GPRESSURE: 3482600 71.9338 -103.926 -115.173 -16.9621 -20.9362 125.817 -172.96 148.313 235.739 PRESSAVG: 3482600 19.2696 3.41271 -48.7545 3.41279 15.1775 41.0484 -48.7545 41.0486 25.2604 GPRESSAVG: 3482600 20.8839 2.24508 -47.2054 1.36119 13.6367 39.7059 -48.8875 40.2615 24.5431 TIMING: 3482600 CPU: 10365.8, 0.0029374/step Wall: 10365.8, 0.0029374/step, 1.23812 hours remaining, 206.343750 MB of memory in use. ENERGY: 3482600 731.6095 2045.9736 1947.3539 118.8675 -205582.7369 17669.3577 0.0000 0.0000 34303.4973 -148766.0774 299.5810 -183069.5746 -148656.4495 301.0552 63.0293 95.5790 556787.4747 19.9025 19.6879 PRESSURE: 3482800 -148.519 156.42 -25.7076 156.419 -87.0585 -8.8637 -25.7083 -8.8638 -175.311 GPRESSURE: 3482800 -136.083 58.6187 -39.7133 196.918 -38.4683 -111.714 -68.8503 54.1722 -140.531 PRESSAVG: 3482800 -32.3011 -26.1326 -32.5348 -26.1327 52.1335 -8.70239 -32.5349 -8.70253 -47.8567 GPRESSAVG: 3482800 -33.372 -27.1165 -32.7919 -26.0239 53.0866 -6.80876 -29.9863 -7.44524 -47.4964 TIMING: 3482800 CPU: 10366.4, 0.00293925/step Wall: 10366.4, 0.00293925/step, 1.23873 hours remaining, 206.343750 MB of memory in use. ENERGY: 3482800 758.4102 2077.1162 1938.6691 126.2706 -205652.5767 17510.9999 0.0000 0.0000 34448.5347 -148792.5761 300.8476 -183241.1107 -148700.0498 300.8950 -136.9629 -105.0275 557955.7275 -9.3414 -9.2606 PRESSURE: 3483000 -63.3482 -63.5914 -105.277 -63.5905 -64.4534 -143.799 -105.277 -143.798 -14.942 GPRESSURE: 3483000 -22.4204 -64.5905 -101.373 -66.1703 -70.0092 -75.6234 -176.894 -151.435 40.0188 PRESSAVG: 3483000 -29.4907 4.30864 -37.8416 4.30853 11.2129 34.2652 -37.8416 34.2652 -4.68776 GPRESSAVG: 3483000 -29.6369 3.68864 -38.9463 5.72223 10.7955 34.61 -39.5459 35.0685 -3.6773 TIMING: 3483000 CPU: 10367, 0.00294709/step Wall: 10367, 0.00294709/step, 1.24187 hours remaining, 206.343750 MB of memory in use. ENERGY: 3483000 738.4163 2117.7122 1905.5363 118.7361 -205653.2014 17567.9486 0.0000 0.0000 34370.4940 -148834.3578 300.1661 -183204.8519 -148739.1977 300.8898 -47.5812 -17.4703 558683.0591 -7.6552 -7.5062 PRESSURE: 3483200 -257.64 51.7173 35.6998 51.7171 -285.471 21.3384 35.7003 21.3393 -111.036 GPRESSURE: 3483200 -229.119 84.1951 46.577 -9.36666 -241.544 42.1705 47.5204 21.3968 -90.1786 PRESSAVG: 3483200 24.3703 -52.0723 -16.621 -52.0722 77.0461 -19.5581 -16.6209 -19.5581 -23.4405 GPRESSAVG: 3483200 23.2209 -51.6505 -13.9458 -51.5143 77.8791 -19.8456 -17.3289 -20.8751 -23.2574 TIMING: 3483200 CPU: 10367.6, 0.00294989/step Wall: 10367.6, 0.00294989/step, 1.24289 hours remaining, 206.343750 MB of memory in use. ENERGY: 3483200 777.0957 2122.3310 1929.1136 119.2360 -205434.5082 17439.0148 0.0000 0.0000 34227.2758 -148820.4414 298.9153 -183047.7172 -148727.4756 300.6854 -218.0491 -186.9472 557286.2059 25.9920 25.9476 PRESSURE: 3483400 -39.4082 43.3905 -0.411433 43.3899 -17.3629 -130.182 -0.411733 -130.184 -55.2282 GPRESSURE: 3483400 9.64009 74.3602 -17.5956 31.0685 -48.8627 -97.8958 -78.5475 -105.719 12.0049 PRESSAVG: 3483400 15.7257 36.4919 -11.0251 36.4919 -36.5764 -46.0979 -11.0251 -46.0979 19.9289 GPRESSAVG: 3483400 17.4836 38.6848 -12.4866 34.9128 -38.1684 -46.701 -12.7444 -45.3477 19.8553 TIMING: 3483400 CPU: 10368.1, 0.00294791/step Wall: 10368.1, 0.00294791/step, 1.24189 hours remaining, 206.343750 MB of memory in use. ENERGY: 3483400 737.1890 2085.7115 1930.1372 124.3340 -205396.3404 17617.6033 0.0000 0.0000 34141.9719 -148759.3936 298.1703 -182901.3655 -148662.0685 300.3393 -37.3331 -9.0726 558079.1720 -0.3073 -0.2765 PRESSURE: 3483600 234.634 -50.2296 -2.34964 -50.229 77.7642 111.514 -2.35119 111.514 175.911 GPRESSURE: 3483600 292.096 -52.6599 17.7246 -82.6615 93.2202 -10.9708 81.6188 232.817 213.644 PRESSAVG: 3483600 -2.27704 -51.3908 -7.04359 -51.3909 38.105 -29.1768 -7.04359 -29.1768 -45.7037 GPRESSAVG: 3483600 -2.22735 -52.1862 -6.0917 -51.5037 39.0821 -28.6808 -3.67462 -28.3239 -46.3263 TIMING: 3483600 CPU: 10368.7, 0.00292922/step Wall: 10368.7, 0.00292922/step, 1.23385 hours remaining, 206.343750 MB of memory in use. ENERGY: 3483600 769.4782 2059.9102 1934.1912 123.7592 -205962.7351 17902.4933 0.0000 0.0000 34470.5785 -148702.3245 301.0401 -183172.9030 -148597.4027 300.9697 162.7696 199.6533 556658.7037 -3.2919 -3.1572 PRESSURE: 3483800 -210.013 16.2855 128.92 16.2855 -163.384 48.2519 128.919 48.2521 -69.8889 GPRESSURE: 3483800 -165.998 48.0265 131.435 -8.5441 -113.847 67.4283 207.107 111.464 -66.5304 PRESSAVG: 3483800 -14.1965 21.0459 13.5704 21.0459 47.7278 0.843254 13.5703 0.84312 -19.5516 GPRESSAVG: 3483800 -15.9444 21.4273 11.7645 22.2007 48.8039 -1.02478 11.7563 0.51508 -18.9745 TIMING: 3483800 CPU: 10369.3, 0.00293649/step Wall: 10369.3, 0.00293649/step, 1.23675 hours remaining, 206.343750 MB of memory in use. ENERGY: 3483800 751.5760 2091.9200 1952.7779 120.6055 -205430.4700 17473.9904 0.0000 0.0000 34329.7330 -148709.8673 299.8101 -183039.6003 -148619.9686 301.2997 -147.7619 -115.4584 558988.7456 4.6599 4.6283 PRESSURE: 3484000 181.391 -6.10859 -78.9931 -6.11033 43.1346 173.249 -78.9935 173.248 -284.429 GPRESSURE: 3484000 181.887 60.2728 -3.58929 29.5626 79.6504 132.283 -216.824 152.782 -223.731 PRESSAVG: 3484000 9.0386 -32.6712 26.0676 -32.6712 48.0376 45.7852 26.0676 45.7851 2.47785 GPRESSAVG: 3484000 8.98134 -34.7683 25.898 -30.9643 47.0416 46.7367 24.2171 44.4963 3.20871 TIMING: 3484000 CPU: 10369.9, 0.0029312/step Wall: 10369.9, 0.0029312/step, 1.23436 hours remaining, 206.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3484000 742.5950 2081.3406 1926.5685 105.9943 -205599.8602 17652.0614 0.0000 0.0000 34286.1273 -148805.1732 299.4293 -183091.3005 -148707.5125 300.9536 -19.9679 12.6021 557727.9064 19.8513 19.7439 PRESSURE: 3484200 -112.015 89.3066 49.0651 89.3072 72.1341 -293.336 49.0634 -293.335 -163.792 GPRESSURE: 3484200 -30.8148 92.2475 66.3478 36.4559 68.502 -198.7 -35.4303 -373.933 -135.444 PRESSAVG: 3484200 -15.4428 28.8517 -6.16298 28.8516 -30.9962 -14.6399 -6.16304 -14.6399 -30.1562 GPRESSAVG: 3484200 -15.2543 31.1255 -3.04605 27.342 -29.6364 -12.7724 -7.22442 -14.7726 -31.2547 TIMING: 3484200 CPU: 10370.5, 0.00296422/step Wall: 10370.5, 0.00296422/step, 1.2481 hours remaining, 206.343750 MB of memory in use. ENERGY: 3484200 758.4762 2074.4118 1952.7998 114.2887 -205985.2013 17653.0811 0.0000 0.0000 34447.7446 -148984.3990 300.8407 -183432.1436 -148884.3273 300.2590 -67.8910 -32.5856 556567.7623 -25.5317 -25.3818 LDB: ============= START OF LOAD BALANCING ============== 10374 LDB: ============== END OF LOAD BALANCING =============== 10374 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10374 LDB: ============= START OF LOAD BALANCING ============== 10374.3 LDB: Largest compute 4802 load 0.023254 is 19.7% of average load 0.118241 LDB: Average compute 0.001727 is 1.5% of average load 0.118241 LDB: TIME 10374.3 LOAD: AVG 0.118241 MAX 0.196065 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.887 MB LDB: TIME 10374.3 LOAD: AVG 0.118241 MAX 0.196065 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.887 MB LDB: TIME 10374.3 LOAD: AVG 0.118241 MAX 0.196065 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.887 MB LDB: ============== END OF LOAD BALANCING =============== 10374.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10374.4 PRESSURE: 3484400 -164.955 -74.7233 -29.0186 -74.7235 -139.707 93.9192 -29.0192 93.9199 -43.6787 GPRESSURE: 3484400 -129.762 35.548 10.0726 -144.548 -152.014 154.511 -5.93954 -18.8835 33.6771 PRESSAVG: 3484400 73.7588 32.0429 -59.6762 32.0429 -22.0788 -3.03648 -59.6762 -3.03647 -12.6528 GPRESSAVG: 3484400 74.6966 30.5644 -62.3155 33.7323 -24.6894 -2.80449 -56.2785 -4.16159 -11.2556 TIMING: 3484400 CPU: 10371.1, 0.00301618/step Wall: 10371.1, 0.00301618/step, 1.26981 hours remaining, 207.375000 MB of memory in use. ENERGY: 3484400 769.1262 2096.4055 1952.5390 110.6200 -205582.6689 17421.6951 0.0000 0.0000 34350.4447 -148881.8383 299.9910 -183232.2830 -148779.3684 300.1852 -116.1136 -82.6997 557157.6146 13.0091 12.9172 PRESSURE: 3484600 -340.677 151.114 52.9773 151.113 -33.8922 3.65921 52.9785 3.6596 -57.3112 GPRESSURE: 3484600 -247.123 100.48 71.4147 147.765 -49.963 28.1691 82.9574 -102.945 -42.861 PRESSAVG: 3484600 41.9725 -10.1019 5.94596 -10.1018 -75.7747 15.7843 5.94603 15.7844 25.6367 GPRESSAVG: 3484600 42.3723 -7.25502 7.97693 -12.6393 -75.7327 15.0683 2.59944 16.9541 24.7268 TIMING: 3484600 CPU: 10371.7, 0.00295896/step Wall: 10371.7, 0.00295896/step, 1.24556 hours remaining, 207.375000 MB of memory in use. ENERGY: 3484600 787.4714 2079.6568 1919.5168 116.7095 -205882.0036 17639.3754 0.0000 0.0000 34410.5582 -148928.7156 300.5160 -183339.2738 -148820.2180 299.9210 -143.9602 -113.3156 556872.7684 -2.7218 -2.8779 PRESSURE: 3484800 68.4357 151.014 149.067 151.013 35.3811 102.649 149.067 102.649 -186.868 GPRESSURE: 3484800 80.663 52.2171 85.1151 190.231 59.7856 -10.7005 106.459 199.414 -131.175 PRESSAVG: 3484800 23.7392 47.0197 23.4376 47.0197 -84.0843 -1.76138 23.4375 -1.76154 98.919 GPRESSAVG: 3484800 21.4116 46.0841 22.6684 46.6064 -82.4133 -2.99693 24.1305 -2.97258 99.9059 TIMING: 3484800 CPU: 10372.3, 0.00295835/step Wall: 10372.3, 0.00295835/step, 1.24514 hours remaining, 207.375000 MB of memory in use. ENERGY: 3484800 782.4338 2096.8218 1926.2983 114.5837 -206133.1103 17702.5082 0.0000 0.0000 34802.9668 -148707.4977 303.9430 -183510.4645 -148614.6022 300.1959 -27.6838 3.0912 557181.3537 12.8580 12.9681 PRESSURE: 3485000 -400.388 -48.8845 -12.1675 -48.8855 111.359 -0.647957 -12.168 -0.649298 383.026 GPRESSURE: 3485000 -314.909 -88.028 -87.6407 -22.2 120.07 122.44 94.2177 -71.7729 384.517 PRESSAVG: 3485000 18.5617 44.7141 40.6877 44.714 -4.44932 -27.9933 40.6875 -27.9934 9.33229 GPRESSAVG: 3485000 20.9018 41.1952 40.8489 48.9148 -5.59881 -26.1307 41.0576 -26.941 7.80846 TIMING: 3485000 CPU: 10372.9, 0.00295632/step Wall: 10372.9, 0.00295632/step, 1.24412 hours remaining, 207.375000 MB of memory in use. ENERGY: 3485000 744.2639 2116.0039 1974.4608 123.3870 -206241.9969 17952.4560 0.0000 0.0000 34476.7009 -148854.7243 301.0936 -183331.4253 -148761.5959 299.6207 31.3324 63.2262 557586.4123 7.8149 7.7038 PRESSURE: 3485200 -254.253 247.48 34.7213 247.48 77.4649 -76.0034 34.7211 -76.0032 -146.705 GPRESSURE: 3485200 -216.628 165.682 29.431 299.083 70.7554 -123.984 -5.32129 -138.51 -92.9064 PRESSAVG: 3485200 -47.6948 22.5911 -77.3734 22.5911 30.9713 -28.9637 -77.3734 -28.9636 29.7928 GPRESSAVG: 3485200 -48.3293 26.4306 -76.4641 18.4963 32.1916 -32.5906 -76.0449 -25.8895 29.5482 TIMING: 3485200 CPU: 10373.5, 0.00298549/step Wall: 10373.5, 0.00298549/step, 1.25623 hours remaining, 207.375000 MB of memory in use. ENERGY: 3485200 764.2644 2046.6579 1939.9789 112.0898 -206003.4042 17738.9429 0.0000 0.0000 34488.4575 -148913.0128 301.1963 -183401.4703 -148812.4071 300.5197 -107.8309 -79.5931 558137.6159 4.3564 4.4702 PRESSURE: 3485400 -133.495 -4.63817 -129.414 -4.63708 113.542 -27.5776 -129.413 -27.5775 169.019 GPRESSURE: 3485400 -91.7372 -49.994 -87.2585 117.548 147.597 -14.6635 -160.933 -20.1149 203.851 PRESSAVG: 3485400 -89.4874 18.8777 -7.86036 18.8776 33.1412 13.6616 -7.8603 13.6615 44.1812 GPRESSAVG: 3485400 -89.7661 15.9632 -8.63372 21.8859 32.9929 16.5184 -10.135 11.439 45.0218 TIMING: 3485400 CPU: 10374.1, 0.00293282/step Wall: 10374.1, 0.00293282/step, 1.2339 hours remaining, 207.375000 MB of memory in use. ENERGY: 3485400 713.3901 2081.8261 1918.0003 112.2403 -206018.4912 17968.1512 0.0000 0.0000 34421.3492 -148803.5341 300.6102 -183224.8833 -148704.3812 300.4763 49.6887 86.5705 558603.7246 -4.0550 -3.9171 PRESSURE: 3485600 -24.2532 -28.7767 10.6367 -28.7761 -162.739 32.0519 10.6356 32.0504 -59.6922 GPRESSURE: 3485600 5.11142 -74.9229 -18.2785 37.1818 -66.9849 72.7882 94.7691 -29.5258 -73.6332 PRESSAVG: 3485600 26.2033 -24.9125 -40.7748 -24.9125 10.8592 11.1039 -40.7747 11.1038 -23.7405 GPRESSAVG: 3485600 26.3674 -23.7171 -39.3426 -27.6088 10.7202 10.6122 -39.2031 11.9894 -24.2002 TIMING: 3485600 CPU: 10374.6, 0.0029264/step Wall: 10374.6, 0.0029264/step, 1.23104 hours remaining, 207.375000 MB of memory in use. ENERGY: 3485600 722.7978 2109.9082 1960.8473 119.8285 -205735.6403 17694.8458 0.0000 0.0000 34380.1674 -148747.2453 300.2506 -183127.4127 -148650.8729 300.0479 -82.2280 -45.1689 558528.9809 4.4407 4.2958 PRESSURE: 3485800 81.4567 -64.6488 167.753 -64.6494 -46.4056 197.357 167.754 197.357 6.3933 GPRESSURE: 3485800 57.5847 -26.9 83.8569 -2.78341 -3.6464 136.343 192.735 233.196 87.3963 PRESSAVG: 3485800 -2.01173 -35.3675 -63.2279 -35.3676 19.9903 3.28302 -63.228 3.28318 -16.1803 GPRESSAVG: 3485800 -2.38904 -35.6466 -63.5929 -33.4074 19.4458 3.51784 -64.6461 3.85143 -15.6245 TIMING: 3485800 CPU: 10375.2, 0.00297484/step Wall: 10375.2, 0.00297484/step, 1.25125 hours remaining, 207.375000 MB of memory in use. ENERGY: 3485800 739.2588 2111.8966 1955.6259 116.2853 -205850.3555 17628.9116 0.0000 0.0000 34451.5013 -148846.8760 300.8735 -183298.3774 -148752.8055 300.5638 13.8148 47.1115 557237.2512 0.5995 0.4774 PRESSURE: 3486000 8.50831 54.7871 70.9894 54.7871 -70.0098 15.8709 70.9905 15.8706 33.6573 GPRESSURE: 3486000 71.2805 19.0967 60.9743 57.2965 -53.7403 -83.0466 98.1194 57.3628 53.9681 PRESSAVG: 3486000 -29.6068 21.2156 -3.21832 21.2157 -9.51071 31.0152 -3.21831 31.0151 52.4274 GPRESSAVG: 3486000 -29.1442 20.6674 -3.52309 22.2553 -9.11272 29.0249 -2.23235 29.3478 51.8364 TIMING: 3486000 CPU: 10375.8, 0.00296801/step Wall: 10375.8, 0.00296801/step, 1.24821 hours remaining, 207.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3486000 753.4809 2118.2107 1956.0060 117.5347 -206182.5484 17662.6151 0.0000 0.0000 34626.7850 -148947.9161 302.4043 -183574.7011 -148850.1588 300.3246 -9.2814 23.8361 556767.7113 4.4366 4.5265 PRESSURE: 3486200 -144.099 20.8621 -75.9027 20.8631 150.305 -205.93 -75.9025 -205.929 -39.7797 GPRESSURE: 3486200 -119.981 -5.52413 -21.5791 -6.45204 177.177 -177.835 -76.4097 -250.392 7.38745 PRESSAVG: 3486200 4.48513 -0.921301 11.2637 -0.921275 20.8463 -19.4811 11.2638 -19.481 -8.4658 GPRESSAVG: 3486200 4.20122 -0.79508 10.7146 -2.67166 20.464 -16.8993 10.491 -20.602 -8.0568 TIMING: 3486200 CPU: 10376.4, 0.00297793/step Wall: 10376.4, 0.00297793/step, 1.25222 hours remaining, 207.375000 MB of memory in use. ENERGY: 3486200 748.5094 2133.8509 1928.0325 112.6722 -205888.5666 17790.1905 0.0000 0.0000 34306.2202 -148869.0909 299.6048 -183175.3111 -148770.0901 301.4138 -11.1911 21.5277 557510.6010 5.6219 5.5361 PRESSURE: 3486400 -94.3733 16.6251 61.4154 16.6253 212.97 -113.095 61.417 -113.094 -156.334 GPRESSURE: 3486400 -9.02739 61.4272 61.7008 25.2616 166.749 -188.833 -7.17013 -19.7986 -94.4868 PRESSAVG: 3486400 14.9206 -22.207 8.64389 -22.207 24.4669 -51.3855 8.64397 -51.3854 -16.6191 GPRESSAVG: 3486400 15.081 -20.4593 9.15733 -21.8743 24.2444 -52.4046 10.1995 -50.7534 -16.2702 TIMING: 3486400 CPU: 10377, 0.00296918/step Wall: 10377, 0.00296918/step, 1.24838 hours remaining, 207.375000 MB of memory in use. ENERGY: 3486400 762.7200 2103.3057 1954.5532 125.9504 -206146.7654 17754.2313 0.0000 0.0000 34416.4438 -149029.5611 300.5674 -183446.0048 -148937.5423 300.6787 -12.5790 21.0783 556407.9342 7.5895 7.6851 PRESSURE: 3486600 108.002 150.043 -38.9656 150.043 -212.031 51.9689 -38.9651 51.9697 44.0215 GPRESSURE: 3486600 130.182 143.583 -54.7008 122.347 -176.48 53.6273 -11.0244 3.71484 78.8085 PRESSAVG: 3486600 -1.63254 -9.99384 2.28388 -9.99379 -20.5323 -32.0945 2.28396 -32.0946 -3.02543 GPRESSAVG: 3486600 -2.25351 -10.6336 1.97028 -10.3877 -19.7891 -32.5622 2.57117 -31.8839 -3.84161 TIMING: 3486600 CPU: 10377.6, 0.00297892/step Wall: 10377.6, 0.00297892/step, 1.2523 hours remaining, 207.375000 MB of memory in use. ENERGY: 3486600 739.5510 2111.3880 1928.4994 105.3182 -206166.9968 17779.9973 0.0000 0.0000 34327.0536 -149175.1893 299.7867 -183502.2429 -149075.0019 300.5747 -20.0026 10.8370 557344.0707 -8.3968 -8.6281 PRESSURE: 3486800 -27.7819 117.097 45.4627 117.097 -175.345 136.004 45.4631 136.004 193.693 GPRESSURE: 3486800 42.4179 52.9957 77.4827 151.741 -155.243 46.8047 -51.1205 115.082 193.609 PRESSAVG: 3486800 -14.457 5.91365 -12.3007 5.91369 -35.3422 -35.3592 -12.3007 -35.3592 73.3952 GPRESSAVG: 3486800 -13.3293 4.66974 -10.6451 6.06845 -36.7308 -34.9506 -13.6431 -35.3007 74.1947 TIMING: 3486800 CPU: 10378.2, 0.00295121/step Wall: 10378.2, 0.00295121/step, 1.24049 hours remaining, 207.375000 MB of memory in use. ENERGY: 3486800 715.9642 2074.0955 1963.7583 111.7274 -206088.2295 17774.1106 0.0000 0.0000 34072.1327 -149376.4408 297.5604 -183448.5736 -149269.7675 299.0935 -3.1447 26.9281 557184.6897 7.8653 8.0449 PRESSURE: 3487000 -73.9022 29.2416 205.362 29.2414 122.107 -28.469 205.362 -28.4691 33.1117 GPRESSURE: 3487000 -1.36732 -19.2996 264.222 -28.9684 157.509 17.848 145.794 -43.5625 18.011 PRESSAVG: 3487000 22.9073 -0.396307 59.5573 -0.396338 11.8405 7.25321 59.5573 7.25309 -1.38825 GPRESSAVG: 3487000 22.6781 -0.498183 57.8605 0.421383 12.8602 9.33728 62.9759 5.23543 -2.94334 TIMING: 3487000 CPU: 10378.8, 0.00295864/step Wall: 10378.8, 0.00295864/step, 1.24345 hours remaining, 207.375000 MB of memory in use. ENERGY: 3487000 737.4624 2103.4306 1950.9078 128.9930 -206601.2204 17859.7735 0.0000 0.0000 34440.1726 -149380.4805 300.7746 -183820.6530 -149287.9598 299.2811 27.1054 58.0511 556492.7171 11.1198 10.8650 PRESSURE: 3487200 100.013 -17.8531 23.2152 -17.8533 -57.7694 2.02693 23.2153 2.02692 -188.138 GPRESSURE: 3487200 98.1205 18.3198 51.4635 27.5417 24.0718 -11.5067 0.728163 0.718494 -167.731 PRESSAVG: 3487200 39.7366 13.4792 11.5424 13.4792 -83.5485 -20.682 11.5424 -20.6821 -26.1799 GPRESSAVG: 3487200 40.8318 13.8887 12.4644 13.2016 -83.9716 -21.2917 8.60027 -18.6783 -26.6204 TIMING: 3487200 CPU: 10379.4, 0.00295585/step Wall: 10379.4, 0.00295585/step, 1.24211 hours remaining, 207.375000 MB of memory in use. ENERGY: 3487200 754.0650 2120.0166 1895.3094 108.1162 -206380.1895 17834.8455 0.0000 0.0000 34375.3468 -149292.4899 300.2085 -183667.8367 -149203.6138 299.2630 -48.6315 -15.1796 556330.4490 -23.3306 -23.2534 PRESSURE: 3487400 126.807 102.568 80.8385 102.569 -192.602 21.1394 80.8381 21.14 -93.775 GPRESSURE: 3487400 150.181 138.7 107.827 29.6074 -145.09 -73.6112 -23.2385 -1.24814 -74.2977 PRESSAVG: 3487400 55.769 -69.7083 49.9691 -69.7082 -44.1334 -11.639 49.9692 -11.6391 -43.003 GPRESSAVG: 3487400 54.9732 -68.8087 48.1599 -69.9377 -44.0843 -12.0322 50.6665 -12.2529 -41.8476 TIMING: 3487400 CPU: 10380, 0.00293556/step Wall: 10380, 0.00293556/step, 1.23343 hours remaining, 207.375000 MB of memory in use. ENERGY: 3487400 750.7861 2121.5057 1899.6651 117.6909 -206519.0531 17904.6929 0.0000 0.0000 34456.3906 -149268.3218 300.9162 -183724.7124 -149164.8388 298.9477 -53.1903 -23.0690 556807.2356 -10.4558 -10.3195 PRESSURE: 3487600 -232.898 227.091 72.6059 227.091 273.661 -66.7213 72.6055 -66.7195 34.9694 GPRESSURE: 3487600 -172.019 224.052 60.689 151.389 272.603 -2.53294 58.2553 -105.268 62.5497 PRESSAVG: 3487600 -4.13455 16.2899 44.443 16.2899 -30.1382 48.6941 44.443 48.694 59.6661 GPRESSAVG: 3487600 -4.80967 13.8811 44.3391 16.3253 -30.0816 49.3433 43.9404 49.9114 59.603 TIMING: 3487600 CPU: 10380.6, 0.00293725/step Wall: 10380.6, 0.00293725/step, 1.23397 hours remaining, 207.375000 MB of memory in use. ENERGY: 3487600 749.0400 2101.4695 1943.6869 111.8910 -206166.5989 17954.3243 0.0000 0.0000 34091.8284 -149214.3588 297.7324 -183306.1872 -149119.9254 299.0064 25.2443 54.3780 557897.3949 8.4644 8.2373 PRESSURE: 3487800 -47.8208 -57.793 -45.7089 -57.7926 -67.85 -29.3142 -45.7078 -29.3134 237.345 GPRESSURE: 3487800 -34.006 -40.5504 6.99069 -94.2203 -5.42382 -47.2593 -14.0088 -83.6389 251.645 PRESSAVG: 3487800 32.8646 45.6635 31.0154 45.6635 -25.9852 -16.278 31.0155 -16.278 -23.5467 GPRESSAVG: 3487800 33.6735 46.8322 32.2519 45.5636 -26.014 -16.7735 31.1172 -16.5143 -23.8402 TIMING: 3487800 CPU: 10381.2, 0.00295099/step Wall: 10381.2, 0.00295099/step, 1.23958 hours remaining, 207.375000 MB of memory in use. ENERGY: 3487800 701.6115 2038.2789 1923.5821 104.8332 -205637.2325 17718.5726 0.0000 0.0000 34091.7953 -149058.5589 297.7321 -183150.3541 -148958.5549 299.5240 40.5581 70.7385 558338.1892 -5.5558 -5.3936 PRESSURE: 3488000 -253.223 28.5853 -55.8101 28.5841 -287.209 -74.7991 -55.8096 -74.8005 -141.858 GPRESSURE: 3488000 -230.52 -23.7653 -75.183 -24.9638 -215.382 -26.1745 -7.806 -87.0702 -138.406 PRESSAVG: 3488000 1.1388 4.73088 42.8444 4.73095 -19.5263 -3.59104 42.8444 -3.59102 -21.4183 GPRESSAVG: 3488000 1.8552 4.44722 40.9624 5.45026 -19.4765 -3.97691 44.7999 -5.12055 -22.2193 TIMING: 3488000 CPU: 10381.7, 0.00294776/step Wall: 10381.7, 0.00294776/step, 1.23806 hours remaining, 207.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3488000 757.0992 2091.3466 1893.7143 117.2726 -205977.2489 17532.3524 0.0000 0.0000 34477.4186 -149108.0452 301.0999 -183585.4638 -149012.1472 299.5454 -227.4300 -194.7693 557774.5939 -13.2686 -13.2802 PRESSURE: 3488200 -239.361 24.4036 -23.2171 24.4037 -149.335 7.73522 -23.219 7.73614 -393.1 GPRESSURE: 3488200 -251.185 -55.6577 29.1572 -0.537574 -152.636 7.83038 -64.2234 -2.33804 -285.384 PRESSAVG: 3488200 38.0713 36.3935 2.10567 36.3935 -58.8679 95.3123 2.10561 95.3123 2.50147 GPRESSAVG: 3488200 37.8617 36.2527 2.60674 37.118 -59.5555 94.8382 0.796547 97.2872 3.1258 TIMING: 3488200 CPU: 10382.3, 0.00293786/step Wall: 10382.3, 0.00293786/step, 1.23374 hours remaining, 207.375000 MB of memory in use. ENERGY: 3488200 758.3235 2151.7404 1950.6821 116.6401 -205879.9149 17516.4183 0.0000 0.0000 34339.9592 -149046.1513 299.8994 -183386.1105 -148945.5508 299.1827 -260.5987 -229.7352 558044.4924 -6.0984 -6.1893 LDB: ============= START OF LOAD BALANCING ============== 10385.9 LDB: ============== END OF LOAD BALANCING =============== 10385.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10385.9 LDB: ============= START OF LOAD BALANCING ============== 10386.2 LDB: Largest compute 4802 load 0.021717 is 18.4% of average load 0.118342 LDB: Average compute 0.001729 is 1.5% of average load 0.118342 LDB: TIME 10386.2 LOAD: AVG 0.118342 MAX 0.198676 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.109 MB LDB: TIME 10386.2 LOAD: AVG 0.118342 MAX 0.198676 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.109 MB LDB: TIME 10386.2 LOAD: AVG 0.118342 MAX 0.198676 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.109 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10386.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10386.2 PRESSURE: 3488400 -144.715 -38.5159 144.889 -38.5163 -251.966 -17.5134 144.889 -17.5135 -188.509 GPRESSURE: 3488400 -125.171 -57.8093 176.369 -65.9495 -221.913 -80.2521 110.286 19.2484 -147.251 PRESSAVG: 3488400 -57.7208 35.5016 -0.0581717 35.5016 -19.7712 61.1311 -0.0581898 61.1311 21.7813 GPRESSAVG: 3488400 -58.4157 36.4985 1.99488 34.9577 -19.5893 61.0317 -0.0813736 60.4178 21.801 TIMING: 3488400 CPU: 10382.9, 0.00299256/step Wall: 10382.9, 0.00299256/step, 1.25654 hours remaining, 207.949219 MB of memory in use. ENERGY: 3488400 782.5410 2121.6909 1929.5916 112.6915 -206254.9838 17735.4504 0.0000 0.0000 34584.8233 -148988.1951 302.0379 -183573.0183 -148894.0895 300.0943 -195.0633 -164.7782 558063.2630 -18.5702 -18.7346 PRESSURE: 3488600 117.587 142.699 -105.376 142.699 163.685 8.06793 -105.376 8.06817 31.6815 GPRESSURE: 3488600 114.5 173.972 -97.8004 144.321 180.083 -48.5539 -92.1564 31.6127 106.461 PRESSAVG: 3488600 -32.3021 26.9098 3.80597 26.9097 4.92096 65.13 3.80597 65.13 19.2149 GPRESSAVG: 3488600 -31.0043 26.6037 3.92099 26.4757 4.60174 64.7749 3.01905 67.1273 17.5852 TIMING: 3488600 CPU: 10383.5, 0.00295815/step Wall: 10383.5, 0.00295815/step, 1.24193 hours remaining, 208.019531 MB of memory in use. ENERGY: 3488600 764.5395 2111.9725 1930.5426 112.9858 -206125.0137 17849.7499 0.0000 0.0000 34335.4726 -149019.7508 299.8602 -183355.2234 -148927.1494 299.6680 104.3178 133.6813 557789.8583 -2.7221 -2.9391 PRESSURE: 3488800 50.0117 100.34 33.3053 100.34 -276.957 -28.04 33.3063 -28.0371 123.703 GPRESSURE: 3488800 91.6625 47.1898 27.0463 85.7687 -223.107 -58.1446 -25.4687 -60.9058 142.184 PRESSAVG: 3488800 -48.8149 24.752 48.5314 24.752 13.4925 -34.8238 48.5316 -34.8237 50.7979 GPRESSAVG: 3488800 -49.213 24.9827 47.3764 23.6284 13.7078 -36.7546 50.5327 -35.603 50.8419 TIMING: 3488800 CPU: 10384.1, 0.0029528/step Wall: 10384.1, 0.0029528/step, 1.23952 hours remaining, 208.199219 MB of memory in use. ENERGY: 3488800 724.2198 2059.8013 1901.7427 131.9511 -205837.8722 17874.2383 0.0000 0.0000 34130.3412 -149015.5778 298.0688 -183145.9189 -148913.5399 299.4591 -34.4139 3.5799 558884.3526 5.1585 5.1122 PRESSURE: 3489000 -239.934 -79.8444 76.5427 -79.8431 -189.445 -33.9937 76.5405 -33.9944 -90.7985 GPRESSURE: 3489000 -258.699 -73.3318 29.3535 -36.564 -127.565 0.552468 30.5582 -100.702 -40.3898 PRESSAVG: 3489000 8.61577 19.0794 24.1162 19.0794 -84.6589 14.0271 24.1162 14.0273 33.9348 GPRESSAVG: 3489000 8.41926 20.197 25.1387 20.4944 -85.0128 12.7749 21.9796 15.1483 34.6812 TIMING: 3489000 CPU: 10384.7, 0.00297061/step Wall: 10384.7, 0.00297061/step, 1.24683 hours remaining, 208.199219 MB of memory in use. ENERGY: 3489000 731.0973 2095.2236 1932.1240 113.7897 -205659.2783 17341.0246 0.0000 0.0000 34335.9883 -149110.0307 299.8647 -183446.0191 -149012.9299 299.4395 -173.3926 -142.2180 558395.8941 -14.0361 -13.9708 PRESSURE: 3489200 25.5351 -142.291 -175.04 -142.292 -14.758 149.838 -175.04 149.838 115.347 GPRESSURE: 3489200 85.9006 -175.161 -173.919 -106.792 50.9956 66.9212 -207.078 114.955 100.576 PRESSAVG: 3489200 -33.4544 42.7192 -57.5311 42.7192 -8.43164 -24.003 -57.531 -24.0029 12.4245 GPRESSAVG: 3489200 -33.5628 42.4116 -59.5561 43.0339 -8.30208 -20.1024 -57.4438 -26.3578 12.3901 TIMING: 3489200 CPU: 10385.3, 0.00297298/step Wall: 10385.3, 0.00297298/step, 1.24766 hours remaining, 208.199219 MB of memory in use. ENERGY: 3489200 728.4493 2124.1413 1917.0061 121.5132 -206344.6734 18038.7319 0.0000 0.0000 34230.0735 -149184.7580 298.9397 -183414.8315 -149082.7530 299.4740 42.0412 79.1575 558114.7039 -9.8205 -9.8249 PRESSURE: 3489400 -64.0065 47.2636 57.9662 47.2624 -74.7582 -1.49026 57.9652 -1.48935 -17.1762 GPRESSURE: 3489400 -3.69144 -21.2828 95.5168 84.1391 -42.7647 -2.66537 -34.5365 -33.1393 -9.8109 PRESSAVG: 3489400 -10.2054 1.667 -0.531597 1.66693 51.6698 -45.3207 -0.531532 -45.3207 -8.39164 GPRESSAVG: 3489400 -9.57274 1.80003 -1.42365 1.78618 50.9862 -46.8398 1.90537 -42.1465 -8.72825 TIMING: 3489400 CPU: 10385.9, 0.002991/step Wall: 10385.9, 0.002991/step, 1.25506 hours remaining, 208.335938 MB of memory in use. ENERGY: 3489400 714.9780 2048.7876 1931.4920 112.0563 -206213.6949 17740.7875 0.0000 0.0000 34487.7218 -149177.8718 301.1899 -183665.5936 -149078.7660 300.1125 -51.9803 -18.7557 558757.9246 11.0243 10.8951 PRESSURE: 3489600 176.457 -174.392 11.6807 -174.392 407.221 -128.283 11.6808 -128.284 247.213 GPRESSURE: 3489600 153.225 -111.956 -13.2555 -159.621 480.128 -150.142 26.8989 -98.036 292.184 PRESSAVG: 3489600 0.100427 12.1668 56.1005 12.1668 -21.7869 5.99323 56.1006 5.99321 10.6722 GPRESSAVG: 3489600 -0.857946 10.5616 58.7143 11.8766 -21.7749 7.61289 53.8347 3.60844 11.7851 TIMING: 3489600 CPU: 10386.5, 0.00301029/step Wall: 10386.5, 0.00301029/step, 1.26299 hours remaining, 208.335938 MB of memory in use. ENERGY: 3489600 734.1129 2078.7177 1937.5244 118.4657 -206494.8478 18279.8561 0.0000 0.0000 34136.4881 -149209.6829 298.1224 -183346.1710 -149126.0543 299.2263 276.9635 308.5121 558138.4550 -3.6714 -3.6159 PRESSURE: 3489800 355.256 -93.5941 29.5362 -93.5948 329.735 209.045 29.5355 209.045 361.297 GPRESSURE: 3489800 425.982 -63.8362 -0.702262 -98.762 312.316 239.579 92.4795 174.726 409.786 PRESSAVG: 3489800 -17.1109 -1.34728 24.1761 -1.34717 46.3094 24.6675 24.1762 24.6675 -15.4333 GPRESSAVG: 3489800 -16.5974 0.638486 24.7168 -2.91455 46.1436 25.0063 24.1554 25.5517 -15.6826 TIMING: 3489800 CPU: 10387.1, 0.00297301/step Wall: 10387.1, 0.00297301/step, 1.24718 hours remaining, 208.335938 MB of memory in use. ENERGY: 3489800 727.3301 2155.4934 1910.3069 120.8897 -206475.5588 18220.3733 0.0000 0.0000 34281.9400 -149059.2254 299.3927 -183341.1653 -148974.0447 299.0952 348.7626 382.6947 556745.2382 4.5884 4.6212 PRESSURE: 3490000 -262.98 -195.852 10.0661 -195.853 -168.382 -95.4716 10.0661 -95.4705 -198.743 GPRESSURE: 3490000 -232.073 -254.386 19.7463 -169.073 -73.8307 -178.132 42.5689 34.8275 -211.993 PRESSAVG: 3490000 27.8373 -30.1994 -3.04721 -30.1993 -7.42644 15.3525 -3.04713 15.3525 -10.055 GPRESSAVG: 3490000 28.0464 -31.3751 -5.15328 -29.1139 -7.28624 15.5755 -2.0846 15.5725 -9.88018 TIMING: 3490000 CPU: 10387.7, 0.00299024/step Wall: 10387.7, 0.00299024/step, 1.25424 hours remaining, 208.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3490000 747.3129 2144.3240 1915.5050 113.4907 -205887.2075 17571.6511 0.0000 0.0000 34201.7616 -149193.1622 298.6925 -183394.9238 -149095.9737 298.9402 -210.0350 -172.6321 557788.3376 3.4519 3.6266 PRESSURE: 3490200 93.7246 78.5209 -99.9362 78.5209 -8.98147 -21.6668 -99.9352 -21.6682 -130.633 GPRESSURE: 3490200 134.564 82.8349 -133.83 101.778 3.38543 -84.6052 -3.17359 39.0356 -97.6257 PRESSAVG: 3490200 38.7617 -19.713 -57.586 -19.7131 -31.7096 -40.096 -57.5861 -40.0961 -44.3527 GPRESSAVG: 3490200 39.4337 -18.9473 -54.8948 -18.8014 -31.7336 -43.329 -58.6604 -39.9511 -45.1457 TIMING: 3490200 CPU: 10388.3, 0.0029743/step Wall: 10388.3, 0.0029743/step, 1.24739 hours remaining, 208.335938 MB of memory in use. ENERGY: 3490200 775.6245 2112.6696 1911.5538 122.3479 -206523.0887 18054.2877 0.0000 0.0000 34343.8362 -149202.7690 299.9333 -183546.6052 -149100.3978 299.3394 -15.2965 13.4413 557774.2407 -12.4335 -12.4819 PRESSURE: 3490400 219.067 3.75618 89.6624 3.757 -47.2312 -84.0945 89.6618 -84.0938 41.7937 GPRESSURE: 3490400 218.6 -9.33285 81.352 70.451 24.8828 -61.5142 102.073 -29.6172 71.947 PRESSAVG: 3490400 -11.4269 6.82991 41.8775 6.82989 17.7167 -5.75474 41.8775 -5.75474 27.5626 GPRESSAVG: 3490400 -12.1998 5.42422 41.4403 6.98442 18.4763 -4.81901 41.0607 -5.58575 27.446 TIMING: 3490400 CPU: 10388.9, 0.00295018/step Wall: 10388.9, 0.00295018/step, 1.23711 hours remaining, 208.335938 MB of memory in use. ENERGY: 3490400 710.6370 2081.6468 1935.3367 109.6199 -206327.1409 17889.7990 0.0000 0.0000 34465.7176 -149134.3839 300.9977 -183600.1015 -149040.7456 299.8970 71.2099 105.1432 556422.3568 11.2841 11.2408 PRESSURE: 3490600 -18.2286 48.1581 242.373 48.1571 144.44 -39.562 242.372 -39.562 132.304 GPRESSURE: 3490600 29.1215 48.8588 232.213 57.8456 188.551 -19.4723 248.442 -70.7983 141.913 PRESSAVG: 3490600 47.0701 -12.3943 34.9338 -12.3942 33.4534 -30.4633 34.9338 -30.4632 -27.694 GPRESSAVG: 3490600 47.0286 -10.6139 33.952 -13.672 32.6216 -29.1093 35.8824 -29.8944 -26.8234 TIMING: 3490600 CPU: 10389.5, 0.00294718/step Wall: 10389.5, 0.00294718/step, 1.23569 hours remaining, 208.335938 MB of memory in use. ENERGY: 3490600 729.7584 2143.8387 1898.5000 114.3200 -206289.9601 17885.8656 0.0000 0.0000 34467.7319 -149049.9455 301.0153 -183517.6774 -148944.5564 299.6394 86.1716 119.8618 556538.2864 17.6098 17.6089 PRESSURE: 3490800 110.373 -125.31 34.265 -125.309 39.2212 82.0933 34.2654 82.0955 -313.621 GPRESSURE: 3490800 131.838 -96.7457 5.24483 -33.0551 68.829 84.414 -98.9475 63.4645 -256.021 PRESSAVG: 3490800 -26.0388 -28.2823 -0.316456 -28.2823 -14.2585 11.8751 -0.316407 11.8752 47.4022 GPRESSAVG: 3490800 -25.3806 -30.1298 0.59287 -29.1039 -13.5522 10.5497 -2.24585 11.6328 46.5933 TIMING: 3490800 CPU: 10390.1, 0.00295906/step Wall: 10390.1, 0.00295906/step, 1.2405 hours remaining, 208.335938 MB of memory in use. ENERGY: 3490800 726.7641 2114.6248 1949.7899 110.5499 -206196.1518 17754.2385 0.0000 0.0000 34411.7564 -149128.4281 300.5264 -183540.1845 -149030.7285 299.4620 -54.6757 -18.4513 556658.3826 2.3683 2.5535 PRESSURE: 3491000 28.909 39.907 -131.154 39.9061 -139.704 95.4486 -131.153 95.4475 -244.041 GPRESSURE: 3491000 44.9271 37.8715 -150.208 48.4213 -89.221 118.299 -139.185 79.2786 -224.672 PRESSAVG: 3491000 -28.3985 -39.3126 14.1787 -39.3126 20.2346 4.08839 14.1788 4.08838 -14.1362 GPRESSAVG: 3491000 -28.8512 -38.6013 13.3799 -35.8149 19.9438 4.63452 16.0335 4.35966 -13.7483 TIMING: 3491000 CPU: 10390.6, 0.00290918/step Wall: 10390.6, 0.00290918/step, 1.21943 hours remaining, 208.335938 MB of memory in use. ENERGY: 3491000 757.4416 2120.1033 1931.3205 119.3778 -205907.5635 17570.5978 0.0000 0.0000 34234.6746 -149174.0479 298.9799 -183408.7225 -149081.1222 299.3701 -118.2786 -89.6554 559031.7580 -7.4334 -7.5519 PRESSURE: 3491200 26.09 -0.373328 -180.98 -0.372461 18.4857 1.01951 -180.982 1.01811 44.7606 GPRESSURE: 3491200 45.9392 -47.7995 -214.317 -24.4169 33.7021 -4.98994 -155.882 -35.7768 97.604 PRESSAVG: 3491200 24.532 25.8384 6.45462 25.8385 -2.41097 -9.29836 6.45462 -9.29837 -30.4352 GPRESSAVG: 3491200 24.6233 25.6142 4.62995 25.4148 -1.70817 -7.52399 7.05168 -13.5925 -31.3955 TIMING: 3491200 CPU: 10391.2, 0.00291752/step Wall: 10391.2, 0.00291752/step, 1.22276 hours remaining, 208.335938 MB of memory in use. ENERGY: 3491200 724.8323 2165.5808 1945.7724 117.5636 -206422.5256 18061.1077 0.0000 0.0000 34241.9782 -149165.6906 299.0437 -183407.6688 -149071.7752 299.0387 29.7788 59.0818 557718.1466 -2.7714 -2.8268 PRESSURE: 3491400 -8.60804 34.9927 115.596 34.9921 -274.27 168.248 115.596 168.249 71.4178 GPRESSURE: 3491400 46.7139 30.13 83.6855 171.78 -241.463 71.7907 171.462 276.517 73.8109 PRESSAVG: 3491400 37.1279 -4.87663 -2.15052 -4.87671 20.0639 -29.3772 -2.15053 -29.3771 -59.7295 GPRESSAVG: 3491400 36.8949 -5.56285 -1.09591 -5.59149 19.6747 -30.6248 -1.44607 -27.0974 -58.798 TIMING: 3491400 CPU: 10391.8, 0.00293321/step Wall: 10391.8, 0.00293322/step, 1.22918 hours remaining, 208.335938 MB of memory in use. ENERGY: 3491400 713.3253 2084.6286 1938.5045 118.0353 -206033.2629 17761.9831 0.0000 0.0000 34247.6674 -149169.1187 299.0934 -183416.7861 -149071.6901 299.0971 -70.4867 -40.3126 558656.5028 -0.8459 -0.7428 PRESSURE: 3491600 -31.8343 29.3809 -36.395 29.3797 -126.061 -47.3655 -36.3962 -47.3667 -35.1363 GPRESSURE: 3491600 -8.62042 52.8569 -43.2699 47.1438 -100.948 -22.7825 -75.5378 -55.8892 15.54 PRESSAVG: 3491600 16.175 61.2568 -15.1688 61.2567 -30.0003 22.3973 -15.1688 22.3973 -24.4151 GPRESSAVG: 3491600 16.4268 60.4798 -15.5476 60.1753 -30.0334 22.9601 -17.0336 21.5466 -24.0765 TIMING: 3491600 CPU: 10392.4, 0.00294218/step Wall: 10392.4, 0.00294218/step, 1.23277 hours remaining, 208.335938 MB of memory in use. ENERGY: 3491600 748.8937 2060.1042 1941.5123 121.9725 -205912.8232 17738.9870 0.0000 0.0000 34206.4329 -149094.9207 298.7333 -183301.3536 -148990.7714 299.0338 -64.3440 -31.3429 558801.4801 -12.7468 -12.5610 PRESSURE: 3491800 276.783 72.4065 72.7787 72.4072 11.8872 -191.596 72.7782 -191.596 -249.548 GPRESSURE: 3491800 281.286 160.671 145.953 14.5622 -0.912434 -129.348 73.2185 -205.642 -150.573 PRESSAVG: 3491800 36.8956 -8.52173 -10.2991 -8.52173 -1.18619 -49.9658 -10.2991 -49.9659 -15.4585 GPRESSAVG: 3491800 37.8106 -6.67983 -9.97148 -8.63677 -1.58114 -51.9479 -7.79894 -48.4862 -15.8648 TIMING: 3491800 CPU: 10393, 0.00296694/step Wall: 10393, 0.00296694/step, 1.24298 hours remaining, 208.335938 MB of memory in use. ENERGY: 3491800 761.7661 2082.3294 1946.9153 130.8208 -206627.7894 18032.1385 0.0000 0.0000 34449.1605 -149224.6587 300.8531 -183673.8193 -149125.4312 299.2065 13.0405 43.2670 557294.3680 6.7503 6.7882 PRESSURE: 3492000 -181.196 -69.601 205.535 -69.6014 -276.528 97.2022 205.534 97.2015 86.997 GPRESSURE: 3492000 -187.842 56.8238 172.953 -142.242 -211.746 140.256 201.851 77.9334 126.66 PRESSAVG: 3492000 8.51704 -55.9813 -21.4434 -55.9812 -25.1446 -10.0554 -21.4434 -10.0554 -44.587 GPRESSAVG: 3492000 7.46873 -56.7069 -22.2267 -54.435 -25.0738 -9.27884 -22.0661 -9.98369 -43.7177 TIMING: 3492000 CPU: 10393.6, 0.00295215/step Wall: 10393.6, 0.00295215/step, 1.23662 hours remaining, 208.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3492000 741.3194 2127.0355 1918.4123 117.1813 -206332.6993 17820.1469 0.0000 0.0000 34378.8686 -149229.7353 300.2392 -183608.6039 -149130.8559 299.7819 -123.5756 -90.9759 557934.2447 -20.4049 -20.4409 PRESSURE: 3492200 -45.0934 47.5575 -46.0154 47.5566 -123.954 -14.1634 -46.0144 -14.1615 -52.446 GPRESSURE: 3492200 3.30823 54.1707 -10.9646 133.762 -97.0821 16.5131 -92.6419 11.9179 -21.7197 PRESSAVG: 3492200 3.61989 15.6537 -51.3946 15.6537 -9.71117 -36.5865 -51.3945 -36.5865 -5.01356 GPRESSAVG: 3492200 4.53331 14.3134 -49.568 15.2132 -10.2575 -35.7891 -52.1543 -36.5774 -5.81578 TIMING: 3492200 CPU: 10394.2, 0.00293569/step Wall: 10394.2, 0.00293568/step, 1.22956 hours remaining, 208.335938 MB of memory in use. ENERGY: 3492200 755.7132 2109.6284 1934.5717 124.0719 -206143.4500 17815.4523 0.0000 0.0000 34234.8557 -149169.1569 298.9815 -183404.0126 -149071.8330 299.5297 -73.8313 -38.4979 558667.6291 -3.7016 -3.8466 LDB: ============= START OF LOAD BALANCING ============== 10397.7 LDB: ============== END OF LOAD BALANCING =============== 10397.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10397.7 LDB: ============= START OF LOAD BALANCING ============== 10398 LDB: Largest compute 4802 load 0.023672 is 20.0% of average load 0.118183 LDB: Average compute 0.001727 is 1.5% of average load 0.118183 LDB: TIME 10398 LOAD: AVG 0.118183 MAX 0.195326 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.316 MB LDB: TIME 10398 LOAD: AVG 0.118183 MAX 0.195326 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.316 MB LDB: TIME 10398 LOAD: AVG 0.118183 MAX 0.195326 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.316 MB LDB: ============== END OF LOAD BALANCING =============== 10398 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10398 PRESSURE: 3492400 -16.8369 -124.86 21.0639 -124.859 104.379 -108.99 21.0646 -108.99 12.6652 GPRESSURE: 3492400 6.89054 -161.379 -55.3624 -146.13 118.303 -46.6317 35.4447 -179.864 71.9606 PRESSAVG: 3492400 19.6387 -60.3866 3.53086 -60.3865 -59.9314 -4.7853 3.53085 -4.78539 58.4801 GPRESSAVG: 3492400 18.5567 -59.6175 2.19858 -61.3446 -59.2566 -5.97508 2.88183 -5.40416 58.408 TIMING: 3492400 CPU: 10394.8, 0.00297457/step Wall: 10394.8, 0.00297457/step, 1.24568 hours remaining, 207.746094 MB of memory in use. ENERGY: 3492400 767.6879 2130.7611 1939.6212 118.9458 -206055.4753 17801.0466 0.0000 0.0000 34386.1325 -148911.2801 300.3026 -183297.4126 -148813.3140 300.0827 33.4024 65.7182 557270.3593 6.0624 5.9027 PRESSURE: 3492600 146.657 -157.062 54.9275 -157.062 -187.507 -4.8891 54.9274 -4.88839 154.999 GPRESSURE: 3492600 185.122 -124.529 153.595 -99.3541 -118.259 27.4544 6.56694 -4.65337 144.815 PRESSAVG: 3492600 -6.53989 -71.1308 -1.9144 -71.1307 34.3218 7.63356 -1.91436 7.63358 23.7156 GPRESSAVG: 3492600 -5.34858 -70.0479 -2.14609 -70.2731 32.8849 9.02622 -0.88235 8.9842 23.3543 TIMING: 3492600 CPU: 10395.4, 0.00291482/step Wall: 10395.4, 0.00291482/step, 1.2205 hours remaining, 207.746094 MB of memory in use. ENERGY: 3492600 773.5405 2123.5067 1943.1430 108.9770 -206434.7761 18038.3187 0.0000 0.0000 34484.8240 -148962.4663 301.1645 -183447.2903 -148862.4309 300.5960 38.0495 70.5592 556998.6844 17.1658 16.9636 PRESSURE: 3492800 -154.584 11.0752 -19.5217 11.075 -132.092 40.1771 -19.5212 40.1766 370.634 GPRESSURE: 3492800 -101.467 -37.0935 30.3033 32.2729 -127.917 -61.2436 12.7872 28.0061 407.657 PRESSAVG: 3492800 -18.9952 14.3504 21.9867 14.3504 -7.15804 8.99105 21.9868 8.991 37.197 GPRESSAVG: 3492800 -19.3017 12.3326 22.5687 14.3924 -7.77701 8.5508 20.778 7.49198 38.0816 TIMING: 3492800 CPU: 10395.9, 0.0029182/step Wall: 10395.9, 0.0029182/step, 1.22175 hours remaining, 207.746094 MB of memory in use. ENERGY: 3492800 747.0865 2169.4473 1941.9518 121.3380 -206202.1708 17776.8246 0.0000 0.0000 34369.3986 -149076.1241 300.1565 -183445.5228 -148977.1462 300.3693 27.9859 59.4243 556641.5392 3.6812 3.6676 PRESSURE: 3493000 -124.829 -103.148 -78.0919 -103.148 -423.688 4.80113 -78.0917 4.80156 240.688 GPRESSURE: 3493000 -92.2217 -104.835 -81.9165 -50.6636 -366.327 -28.4514 -129.721 -13.716 241.703 PRESSAVG: 3493000 -15.5801 -47.6147 8.13621 -47.6147 -5.42466 -7.82852 8.13622 -7.82847 18.464 GPRESSAVG: 3493000 -16.0853 -46.0745 7.88122 -49.8575 -4.95505 -8.59631 9.12107 -7.32457 18.3705 TIMING: 3493000 CPU: 10396.5, 0.00294012/step Wall: 10396.5, 0.00294012/step, 1.23077 hours remaining, 207.746094 MB of memory in use. ENERGY: 3493000 769.3579 2045.7335 1961.6359 107.7319 -205988.8670 17714.2527 0.0000 0.0000 34148.2201 -149241.9349 298.2249 -183390.1550 -149149.9552 299.2535 -102.6095 -72.2820 556602.7707 -0.8469 -0.8900 PRESSURE: 3493200 -261.922 166.008 -58.5319 166.009 -71.5388 109.171 -58.5334 109.17 -233.827 GPRESSURE: 3493200 -214.542 174.427 -125.312 144.667 -66.8008 25.0777 -42.8797 46.1565 -187.748 PRESSAVG: 3493200 -24.4756 -76.0479 9.42377 -76.0479 0.00415173 -34.8479 9.42385 -34.8479 8.5742 GPRESSAVG: 3493200 -23.1837 -76.6378 7.76627 -74.7126 -0.665982 -34.8119 9.00651 -35.692 8.34097 TIMING: 3493200 CPU: 10397.1, 0.00293802/step Wall: 10397.1, 0.00293802/step, 1.22973 hours remaining, 207.746094 MB of memory in use. ENERGY: 3493200 749.7782 2121.8170 1928.3663 119.3463 -206072.6964 17568.5647 0.0000 0.0000 34334.3963 -149250.4276 299.8508 -183584.8239 -149158.6482 299.1460 -189.0960 -156.3636 556619.9039 -5.2991 -5.1696 PRESSURE: 3493400 298.414 -117.103 123.271 -117.102 108.159 -16.5464 123.27 -16.5472 -119.888 GPRESSURE: 3493400 308.794 -60.1252 171.55 -76.747 195.206 71.4164 103.569 -97.0063 -121.046 PRESSAVG: 3493400 10.5825 9.39874 55.4552 9.39874 34.7623 -34.8258 55.4552 -34.8257 -34.3189 GPRESSAVG: 3493400 10.3251 11.1183 56.4019 9.28485 35.7897 -33.7832 55.905 -33.2347 -36.0653 TIMING: 3493400 CPU: 10397.7, 0.00292704/step Wall: 10397.7, 0.00292704/step, 1.22496 hours remaining, 207.746094 MB of memory in use. ENERGY: 3493400 716.9259 2013.0384 1930.4088 128.9152 -205981.5646 17761.5387 0.0000 0.0000 34234.3681 -149196.3695 298.9773 -183430.7376 -149092.2552 299.4523 95.5616 127.6514 557642.5031 3.6753 3.3498 PRESSURE: 3493600 -96.1391 67.2043 54.1747 67.2044 -150.317 -177.879 54.173 -177.88 -312.492 GPRESSURE: 3493600 -97.5787 107.229 69.4697 4.63781 -205.714 -93.952 42.4264 -202.881 -166.151 PRESSAVG: 3493600 23.7978 -32.8889 22.9399 -32.8888 -83.3479 -65.2945 22.9399 -65.2946 12.9842 GPRESSAVG: 3493600 24.1113 -33.268 23.7546 -33.83 -84.8285 -63.7764 22.0199 -65.5872 14.1367 TIMING: 3493600 CPU: 10398.3, 0.00295605/step Wall: 10398.3, 0.00295605/step, 1.23694 hours remaining, 207.746094 MB of memory in use. ENERGY: 3493600 767.2438 2043.9064 1922.4386 120.5936 -205890.1480 17520.8246 0.0000 0.0000 34325.6153 -149189.5256 299.7741 -183515.1409 -149092.4854 299.0690 -186.3162 -156.4812 557831.9376 -15.5220 -15.5268 PRESSURE: 3493800 220.716 -150.945 -51.454 -150.945 161.418 -151.849 -51.453 -151.849 -68.4338 GPRESSURE: 3493800 206.753 -72.0329 -69.3028 -197.84 185.405 -249.755 -57.3955 -172.49 0.563546 PRESSAVG: 3493800 24.4483 -70.1279 9.5084 -70.1279 -49.1709 -29.8724 9.50842 -29.8725 33.6284 GPRESSAVG: 3493800 24.0141 -70.2447 12.5975 -69.9252 -48.2047 -33.5523 7.61399 -28.5222 33.0594 TIMING: 3493800 CPU: 10398.9, 0.00297699/step Wall: 10398.9, 0.00297699/step, 1.24554 hours remaining, 207.746094 MB of memory in use. ENERGY: 3493800 750.9259 2076.8250 1928.0225 125.7099 -206765.2747 17978.2791 0.0000 0.0000 34615.1420 -149290.3702 302.3026 -183905.5122 -149193.5135 299.8769 104.5667 130.9072 556451.4741 2.9686 2.9563 PRESSURE: 3494000 -299.574 -129.284 -142.513 -129.285 -255.653 -81.9917 -142.514 -81.9903 -262.407 GPRESSURE: 3494000 -254.814 -47.2631 -122.651 -171.123 -231.154 -122.32 -139.717 -22.9196 -236.977 PRESSAVG: 3494000 43.521 -43.1104 -50.5557 -43.1103 -4.96347 -32.3991 -50.5556 -32.3991 -59.7866 GPRESSAVG: 3494000 43.0875 -43.5281 -54.0873 -43.1771 -6.13224 -30.8035 -47.9201 -31.3009 -58.0045 TIMING: 3494000 CPU: 10399.5, 0.00297712/step Wall: 10399.5, 0.00297712/step, 1.24543 hours remaining, 207.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3494000 759.5778 2065.4959 1916.3039 108.4452 -205976.9636 17485.2222 0.0000 0.0000 34191.3714 -149450.5472 298.6018 -183641.9186 -149359.9750 298.9477 -272.5449 -240.9814 557520.2418 -7.0764 -7.0164 PRESSURE: 3494200 -76.4139 -30.8107 -0.913137 -30.8103 -54.4581 -99.3541 -0.912837 -99.3565 37.865 GPRESSURE: 3494200 -36.1649 -17.437 26.2242 20.843 -11.3611 -117.114 37.2871 -60.5077 54.9575 PRESSAVG: 3494200 6.48461 -15.6416 26.1159 -15.6415 -85.5567 -64.2588 26.1159 -64.2589 86.1414 GPRESSAVG: 3494200 6.70502 -15.3332 28.7738 -15.363 -85.0944 -64.0695 23.227 -66.6084 85.4906 TIMING: 3494200 CPU: 10400.1, 0.00296285/step Wall: 10400.1, 0.00296285/step, 1.2393 hours remaining, 207.746094 MB of memory in use. ENERGY: 3494200 704.4566 2050.8254 1948.3819 108.9641 -206189.3265 17690.2105 0.0000 0.0000 34364.2435 -149322.2445 300.1115 -183686.4880 -149231.5371 299.2242 -31.0023 2.4771 556885.2589 2.3564 2.3671 PRESSURE: 3494400 225.086 87.497 -181.912 87.4952 24.4138 -89.9557 -181.911 -89.9569 -0.0663727 GPRESSURE: 3494400 263.03 116.404 -169.649 -18.0655 105.919 -154.554 -113.435 22.2946 -10.1735 PRESSAVG: 3494400 19.0568 4.34368 58.37 4.3436 -42.3938 -91.105 58.3699 -91.105 44.6236 GPRESSAVG: 3494400 19.5714 5.34268 57.1164 2.7059 -41.6828 -90.4985 60.2778 -90.6352 43.6988 TIMING: 3494400 CPU: 10400.7, 0.00296633/step Wall: 10400.7, 0.00296633/step, 1.24058 hours remaining, 207.746094 MB of memory in use. ENERGY: 3494400 726.7925 2037.0887 1983.8881 117.1714 -206188.6339 17838.6584 0.0000 0.0000 34194.0513 -149290.9835 298.6252 -183485.0349 -149194.1741 298.8796 83.1446 119.5920 555829.8892 7.0955 7.1958 PRESSURE: 3494600 -227.313 -2.83237 85.0107 -2.83136 -271.793 -48.055 85.01 -48.0549 -397.542 GPRESSURE: 3494600 -274.951 -32.5203 141.604 60.6247 -196.674 -66.7484 91.6668 -126.305 -328.949 PRESSAVG: 3494600 83.2862 37.1004 3.67922 37.1004 16.3641 -4.89655 3.67926 -4.89664 -31.723 GPRESSAVG: 3494600 82.3874 35.9012 3.22246 38.2273 16.6465 -5.53936 4.18224 -6.48757 -31.3206 TIMING: 3494600 CPU: 10401.3, 0.00294781/step Wall: 10401.3, 0.00294781/step, 1.23267 hours remaining, 207.746094 MB of memory in use. ENERGY: 3494600 753.6959 2054.4695 1950.0963 120.0143 -205633.5759 17406.5887 0.0000 0.0000 34147.6871 -149201.0242 298.2202 -183348.7113 -149094.6716 299.0178 -298.8827 -266.8579 557164.6901 22.6425 22.5711 PRESSURE: 3494800 23.0975 37.3705 48.1196 37.3702 56.6004 -108.317 48.1201 -108.316 -212.508 GPRESSURE: 3494800 51.478 36.7459 21.9829 -51.1539 97.8349 -101.327 116.876 12.2735 -181.36 PRESSAVG: 3494800 -43.5409 -15.5665 12.7635 -15.5665 59.029 -27.7422 12.7635 -27.7422 14.5417 GPRESSAVG: 3494800 -42.7138 -15.5028 12.8469 -16.2598 58.6285 -28.6816 11.7992 -26.4302 14.2324 TIMING: 3494800 CPU: 10401.8, 0.00295935/step Wall: 10401.8, 0.00295935/step, 1.23734 hours remaining, 207.746094 MB of memory in use. ENERGY: 3494800 758.8499 2098.3665 1928.0737 101.7104 -206254.0939 17719.2097 0.0000 0.0000 34388.7375 -149259.1463 300.3254 -183647.8838 -149163.9880 299.8114 -44.2701 -10.6825 557005.7345 10.0099 10.0491 PRESSURE: 3495000 203.174 -130.016 -15.7634 -130.016 -152.604 34.8566 -15.7634 34.855 -143.056 GPRESSURE: 3495000 208.885 -105.461 -78.8694 -79.3395 -88.3796 102.49 36.4243 24.6209 -128.563 PRESSAVG: 3495000 -17.0099 -4.97309 10.1773 -4.97315 27.6691 14.9859 10.1772 14.986 -20.9002 GPRESSAVG: 3495000 -18.187 -4.97054 8.42096 -3.61508 28.6539 14.9262 13.0574 15.6961 -21.1715 TIMING: 3495000 CPU: 10402.4, 0.00295193/step Wall: 10402.4, 0.00295193/step, 1.23407 hours remaining, 207.746094 MB of memory in use. ENERGY: 3495000 730.7017 2080.2744 1946.0576 124.7192 -206194.6151 17785.9872 0.0000 0.0000 34324.1585 -149202.7166 299.7614 -183526.8751 -149097.7079 299.6253 -30.8287 -2.6860 557686.5795 -3.4137 -3.5682 PRESSURE: 3495200 48.226 -109.33 -27.5069 -109.329 -204.669 82.8604 -27.506 82.8597 -132.228 GPRESSURE: 3495200 30.4984 -86.0347 -62.258 -42.2045 -168.429 71.5801 -46.3865 158.203 -58.6294 PRESSAVG: 3495200 13.9276 13.2269 -34.4677 13.2268 9.44245 32.5458 -34.4677 32.5458 5.97493 GPRESSAVG: 3495200 13.9163 14.8702 -32.8903 11.4818 9.45397 32.3054 -36.2647 32.3037 6.1965 TIMING: 3495200 CPU: 10403, 0.00295797/step Wall: 10403, 0.00295797/step, 1.23643 hours remaining, 207.746094 MB of memory in use. ENERGY: 3495200 747.6252 2075.5008 1914.1640 112.7109 -206023.1419 17614.1631 0.0000 0.0000 34245.6582 -149313.3196 299.0759 -183558.9779 -149216.6971 299.1378 -96.2238 -65.5199 557970.2353 9.7817 9.8556 PRESSURE: 3495400 -177.962 -103.256 0.00399826 -103.256 -209.543 -126.164 0.00416948 -126.165 27.265 GPRESSURE: 3495400 -136.026 -68.5439 -41.121 -148.886 -165.498 -221.503 64.5879 -76.366 42.8978 PRESSAVG: 3495400 26.6403 -19.6953 18.9307 -19.6952 -19.7688 -6.30203 18.9308 -6.30193 -24.9038 GPRESSAVG: 3495400 27.1801 -20.948 19.6708 -16.8665 -20.5199 -6.58151 18.0173 -5.62258 -24.8139 TIMING: 3495400 CPU: 10403.6, 0.00296068/step Wall: 10403.6, 0.00296068/step, 1.2374 hours remaining, 207.746094 MB of memory in use. ENERGY: 3495400 783.5387 2063.4349 1959.8342 105.5144 -206288.9280 17861.2326 0.0000 0.0000 34169.7063 -149345.6669 298.4125 -183515.3732 -149255.2888 298.7984 -120.0801 -86.2088 558502.1035 -6.0107 -6.0513 PRESSURE: 3495600 -459.964 -62.3923 -59.6819 -62.3919 -255.045 90.7661 -59.6819 90.7661 -263.942 GPRESSURE: 3495600 -378.072 -2.47351 -76.3538 -80.948 -181.778 82.8217 -102.491 71.8739 -313.17 PRESSAVG: 3495600 -35.8304 -64.4997 -22.8687 -64.4996 17.7362 -40.1492 -22.8685 -40.1492 21.1748 GPRESSAVG: 3495600 -35.4902 -62.2713 -24.0979 -66.9148 19.2842 -39.5802 -18.9594 -40.5201 20.0409 TIMING: 3495600 CPU: 10404.2, 0.00292985/step Wall: 10404.2, 0.00292985/step, 1.22435 hours remaining, 207.746094 MB of memory in use. ENERGY: 3495600 714.7376 2107.4278 1920.4814 96.8170 -205876.3988 17343.3036 0.0000 0.0000 34404.3946 -149289.2369 300.4621 -183693.6315 -149192.4947 298.7425 -326.3172 -291.0067 558458.0002 1.0269 1.2783 PRESSURE: 3495800 -183.232 183.075 -28.647 183.075 -232.188 -58.3009 -28.6458 -58.3012 -293.935 GPRESSURE: 3495800 -157.535 219.573 -63.7091 53.5371 -199.423 20.1304 -58.8659 -72.5095 -267.69 PRESSAVG: 3495800 -128.862 -9.74099 -34.2621 -9.74093 108.349 8.52708 -34.2621 8.52703 2.57357 GPRESSAVG: 3495800 -129.432 -8.49684 -34.0098 -10.5706 108.513 8.92207 -39.1979 8.79172 2.30204 TIMING: 3495800 CPU: 10404.8, 0.00290913/step Wall: 10404.8, 0.00290913/step, 1.21553 hours remaining, 207.746094 MB of memory in use. ENERGY: 3495800 709.9737 2131.0876 1958.0592 106.5709 -205848.2143 17628.4429 0.0000 0.0000 34220.1894 -149093.8905 298.8534 -183314.0799 -148995.7509 299.3713 -236.4515 -208.2160 560095.2231 -5.9799 -6.2056 PRESSURE: 3496000 68.8808 219.426 204.455 219.427 -82.31 -149.445 204.456 -149.442 6.1702 GPRESSURE: 3496000 80.4924 218.856 156.504 130.029 3.88552 -173.556 235.118 -105.169 -3.22467 PRESSAVG: 3496000 22.0479 -4.14042 -9.27083 -4.1405 -38.1968 -19.5774 -9.27079 -19.5774 -36.0565 GPRESSAVG: 3496000 20.9491 -7.09584 -8.12675 -3.10651 -39.0594 -20.5757 -8.14926 -20.3947 -34.8459 TIMING: 3496000 CPU: 10405.4, 0.00291837/step Wall: 10405.4, 0.00291837/step, 1.21923 hours remaining, 207.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3496000 746.0490 2077.3900 1946.1781 114.1784 -206152.1858 17839.3332 0.0000 0.0000 34308.2617 -149120.7954 299.6226 -183429.0571 -149021.2672 300.3564 -2.4197 27.0511 557651.8831 -17.4018 -17.6521 PRESSURE: 3496200 -286.213 101.415 -31.9938 101.413 -249.827 -18.7272 -31.9924 -18.7267 -368.094 GPRESSURE: 3496200 -258.731 53.0658 35.081 113.849 -226.384 39.0695 -20.8234 -22.3254 -321.357 PRESSAVG: 3496200 28.2493 -40.85 27.4018 -40.85 13.1439 74.7028 27.4017 74.7029 -19.2697 GPRESSAVG: 3496200 27.7015 -40.3095 28.0063 -40.1736 13.8003 74.8335 26.9803 75.889 -19.9277 TIMING: 3496200 CPU: 10406, 0.00293144/step Wall: 10406, 0.00293144/step, 1.22453 hours remaining, 207.746094 MB of memory in use. ENERGY: 3496200 755.2245 2085.9946 1975.0259 106.1730 -205588.4185 17285.5289 0.0000 0.0000 34309.2777 -149071.1939 299.6315 -183380.4716 -148980.9964 300.1299 -301.3780 -268.8236 558998.3041 7.3745 7.1913 LDB: ============= START OF LOAD BALANCING ============== 10409.5 LDB: ============== END OF LOAD BALANCING =============== 10409.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10409.5 LDB: ============= START OF LOAD BALANCING ============== 10409.8 LDB: Largest compute 4772 load 0.023480 is 19.9% of average load 0.118229 LDB: Average compute 0.001729 is 1.5% of average load 0.118229 LDB: TIME 10409.8 LOAD: AVG 0.118229 MAX 0.196183 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.102 MB LDB: TIME 10409.8 LOAD: AVG 0.118229 MAX 0.196183 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.102 MB LDB: TIME 10409.8 LOAD: AVG 0.118229 MAX 0.196183 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.102 MB LDB: ============== END OF LOAD BALANCING =============== 10409.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10409.8 PRESSURE: 3496400 71.9495 39.1378 18.9463 39.1371 -257.289 46.7246 18.9455 46.7256 -12.69 GPRESSURE: 3496400 87.6071 47.8654 28.3254 45.935 -245.214 -60.4887 66.6577 53.5786 58.9109 PRESSAVG: 3496400 -7.64595 -25.4513 -3.46497 -25.4513 -32.6843 -4.33658 -3.46493 -4.3366 36.7374 GPRESSAVG: 3496400 -5.07652 -24.7405 -2.9215 -26.098 -34.9578 -4.48846 -3.50392 -5.04821 36.3292 TIMING: 3496400 CPU: 10406.6, 0.00299005/step Wall: 10406.6, 0.00299005/step, 1.24885 hours remaining, 208.792969 MB of memory in use. ENERGY: 3496400 748.2973 2099.6953 1957.6998 118.0735 -206093.1787 17764.1533 0.0000 0.0000 34254.1917 -149151.0677 299.1504 -183405.2594 -149052.5486 299.4523 -66.0099 -32.8985 558987.7050 -1.1976 -1.2350 PRESSURE: 3496600 109.344 -122.821 78.5389 -122.821 217.211 -36.0677 78.5382 -36.0676 147.69 GPRESSURE: 3496600 143.396 -136.356 -9.06608 -92.4621 221.744 7.00679 118.152 -82.4898 207.077 PRESSAVG: 3496600 20.2603 -6.7536 -19.0175 -6.75365 -18.3725 -17.9772 -19.0175 -17.9772 0.608083 GPRESSAVG: 3496600 19.4938 -6.04381 -19.4131 -4.9565 -18.2145 -18.0474 -17.7193 -20.2755 0.978975 TIMING: 3496600 CPU: 10407.1, 0.00292463/step Wall: 10407.1, 0.00292463/step, 1.22136 hours remaining, 208.992188 MB of memory in use. ENERGY: 3496600 751.4415 2097.0499 1956.9894 111.8142 -206479.7864 18133.4526 0.0000 0.0000 34284.2238 -149144.8151 299.4127 -183429.0389 -149053.9089 300.2801 158.0815 190.7392 557031.1399 0.8320 0.7528 PRESSURE: 3496800 152.804 -45.7378 52.6852 -45.7383 -136.161 72.6738 52.6852 72.6734 84.0763 GPRESSURE: 3496800 201.311 -66.3819 28.4876 -48.0385 -102.738 100.529 106.913 -9.67892 90.5785 PRESSAVG: 3496800 50.6857 -14.6392 -4.98687 -14.6392 -30.1615 5.40818 -4.98685 5.40825 2.23994 GPRESSAVG: 3496800 50.7667 -16.6588 -6.76778 -14.3523 -29.5567 5.9399 -4.43177 7.43805 1.92628 TIMING: 3496800 CPU: 10407.7, 0.00293483/step Wall: 10407.7, 0.00293483/step, 1.22546 hours remaining, 208.992188 MB of memory in use. ENERGY: 3496800 715.0060 2113.0156 1933.0461 113.1269 -206331.7207 17865.7631 0.0000 0.0000 34493.6264 -149098.1365 301.2414 -183591.7629 -148994.2626 299.8697 33.5732 63.0503 556671.3237 7.5881 7.7121 PRESSURE: 3497000 30.4504 -38.9849 -47.7812 -38.9842 -56.6938 -4.80921 -47.7802 -4.81039 -205.453 GPRESSURE: 3497000 78.9899 -120.609 -138.606 3.4502 1.07299 -57.695 7.2032 -27.6031 -215.333 PRESSAVG: 3497000 50.7747 -25.3832 -39.5169 -25.3832 -13.0698 -35.8382 -39.517 -35.8382 -50.7938 GPRESSAVG: 3497000 50.6159 -25.8747 -38.8033 -26.8931 -13.9126 -35.3734 -40.4741 -37.7607 -49.119 TIMING: 3497000 CPU: 10408.3, 0.00295429/step Wall: 10408.3, 0.00295429/step, 1.23342 hours remaining, 208.992188 MB of memory in use. ENERGY: 3497000 753.3783 2138.3073 1949.7140 116.9749 -205835.4110 17576.1687 0.0000 0.0000 34228.6879 -149072.1798 298.9276 -183300.8677 -148972.0921 299.1142 -77.2320 -45.0900 556879.5783 -4.3630 -4.1386 PRESSURE: 3497200 67.6554 132.67 -66.3306 132.67 -70.1706 -133.37 -66.3309 -133.37 -89.6832 GPRESSURE: 3497200 61.5137 119.062 -52.5923 121.257 -20.3627 -102.572 -28.2012 -135.37 -38.3167 PRESSAVG: 3497200 17.6093 -29.7759 -21.9745 -29.7759 51.6997 -0.723136 -21.9744 -0.72315 -44.9478 GPRESSAVG: 3497200 17.1452 -26.7937 -21.8152 -29.7765 52.5352 -1.77849 -22.8357 1.73442 -45.8508 TIMING: 3497200 CPU: 10408.9, 0.00295074/step Wall: 10408.9, 0.00295074/step, 1.23177 hours remaining, 208.992188 MB of memory in use. ENERGY: 3497200 728.0584 2144.7878 1946.6375 126.5724 -206009.2287 17662.9612 0.0000 0.0000 34327.1373 -149073.0741 299.7874 -183400.2114 -148979.0367 298.8768 -30.7328 0.9448 556467.7539 8.1204 7.9432 PRESSURE: 3497400 88.4459 68.5831 4.07965 68.5827 -158.862 -32.2145 4.07983 -32.2131 -39.9867 GPRESSURE: 3497400 108.021 -8.93172 -77.2453 59.5368 -172.186 -33.7712 30.4935 -78.0763 37.8143 PRESSAVG: 3497400 -22.8442 -63.2726 25.9501 -63.2727 -19.2633 -4.67635 25.95 -4.67625 46.8289 GPRESSAVG: 3497400 -21.7969 -65.431 24.33 -60.2514 -19.9077 -5.82418 27.9219 -4.97687 46.377 TIMING: 3497400 CPU: 10409.5, 0.00295515/step Wall: 10409.5, 0.00295515/step, 1.23345 hours remaining, 208.992188 MB of memory in use. ENERGY: 3497400 714.5474 2034.6993 1949.5379 113.6805 -205878.5922 17562.0390 0.0000 0.0000 34272.0388 -149232.0492 299.3062 -183504.0880 -149129.3740 298.8951 -36.8010 -8.7835 558154.6391 1.5738 1.5575 PRESSURE: 3497600 -210.418 -25.4591 -240.32 -25.4587 -199.96 20.8244 -240.321 20.8226 -202.563 GPRESSURE: 3497600 -163.708 -32.4514 -315.464 -82.1702 -127.186 44.2583 -183.866 38.0383 -219.867 PRESSAVG: 3497600 4.82218 26.7897 8.34166 26.7898 -12.9966 5.92418 8.34162 5.92427 13.3447 GPRESSAVG: 3497600 4.46786 26.075 9.96469 24.8078 -13.2093 7.63498 7.66243 4.3607 14.1387 TIMING: 3497600 CPU: 10410.1, 0.00295228/step Wall: 10410.1, 0.00295228/step, 1.23209 hours remaining, 208.992188 MB of memory in use. ENERGY: 3497600 724.0640 2084.6033 1924.5906 115.1463 -206020.4305 17527.4447 0.0000 0.0000 34408.9252 -149235.6565 300.5017 -183644.5817 -149140.2240 298.9400 -204.3137 -170.2536 557937.0916 1.7234 1.7991 PRESSURE: 3497800 211.871 -103.718 -186.37 -103.719 114.087 189.326 -186.371 189.327 -27.7911 GPRESSURE: 3497800 186.112 -174.215 -143.616 -161.465 196.88 167.714 -196.65 216.93 -0.376108 PRESSAVG: 3497800 -25.1082 -67.6007 -31.3395 -67.6007 16.8467 -8.27248 -31.3395 -8.27259 -6.242 GPRESSAVG: 3497800 -25.6189 -67.2479 -32.0393 -66.9601 17.122 -9.01431 -29.7042 -6.6225 -6.81254 TIMING: 3497800 CPU: 10410.7, 0.00294621/step Wall: 10410.7, 0.00294621/step, 1.22939 hours remaining, 208.992188 MB of memory in use. ENERGY: 3497800 780.6740 1976.5446 1928.6337 114.1384 -206406.0573 17921.8466 0.0000 0.0000 34514.3245 -149169.8955 301.4222 -183684.2200 -149069.3572 299.2801 99.3891 127.5387 557017.0936 -4.8345 -5.1031 PRESSURE: 3498000 -46.7212 -96.276 -2.56216 -96.274 -13.1883 -13.3692 -2.56447 -13.3687 53.8682 GPRESSURE: 3498000 -15.5191 57.262 -62.6516 -225.498 5.65548 -138.027 4.21396 -20.5484 99.8073 PRESSAVG: 3498000 -26.6899 -3.58283 -26.7045 -3.58292 24.2346 1.99204 -26.7046 1.99207 -28.7538 GPRESSAVG: 3498000 -27.0446 -1.06148 -24.9663 -4.66897 24.0038 2.08475 -29.2592 0.394554 -28.9825 TIMING: 3498000 CPU: 10411.3, 0.00293629/step Wall: 10411.3, 0.00293629/step, 1.22508 hours remaining, 208.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3498000 749.5388 2065.6117 1946.0037 114.0412 -206074.6061 17800.4219 0.0000 0.0000 34125.2311 -149273.7576 298.0241 -183398.9888 -149182.9399 298.9853 -2.0138 29.9812 557208.6266 -10.4030 -10.6744 PRESSURE: 3498200 26.8906 240.977 -182.631 240.978 -140.078 -2.27442 -182.632 -2.27424 41.5787 GPRESSURE: 3498200 29.4888 167.696 -150.406 260.741 -81.9624 -1.80286 -39.0921 13.9626 75.3889 PRESSAVG: 3498200 -5.48311 -20.7905 -21.0931 -20.7905 25.6375 -2.55497 -21.0931 -2.55486 -16.0203 GPRESSAVG: 3498200 -4.58939 -23.0518 -22.7499 -19.0142 25.4358 -1.7784 -20.8935 -1.67485 -17.1081 TIMING: 3498200 CPU: 10411.9, 0.00291454/step Wall: 10411.9, 0.00291454/step, 1.21585 hours remaining, 208.992188 MB of memory in use. ENERGY: 3498200 774.2131 2083.7652 1918.5716 103.8137 -206209.3658 18004.7623 0.0000 0.0000 34318.6208 -149005.6190 299.7131 -183324.2398 -148915.3905 299.1119 -23.8694 7.6384 558643.5386 1.3780 1.2461 PRESSURE: 3498400 -234.537 81.3726 13.4042 81.3726 -84.1652 13.2706 13.4046 13.2709 13.96 GPRESSURE: 3498400 -203.633 22.09 -81.5075 76.2681 -70.0956 30.05 -6.44883 -20.7452 68.0755 PRESSAVG: 3498400 9.2198 6.45783 -16.4112 6.45789 -58.5768 -22.5435 -16.4112 -22.5435 1.39972 GPRESSAVG: 3498400 8.273 8.62074 -17.4603 2.84904 -58.9926 -21.9107 -13.463 -23.337 2.437 TIMING: 3498400 CPU: 10412.4, 0.00292242/step Wall: 10412.4, 0.00292242/step, 1.21898 hours remaining, 208.992188 MB of memory in use. ENERGY: 3498400 736.3540 2068.6117 1948.0505 114.7917 -205800.3108 17567.2470 0.0000 0.0000 34399.1864 -148966.0695 300.4167 -183365.2559 -148868.0306 299.6818 -101.5808 -68.5511 556944.8834 -15.9858 -16.0942 PRESSURE: 3498600 75.8854 -81.6354 89.4145 -81.6349 192.677 -10.707 89.4153 -10.7066 78.9774 GPRESSURE: 3498600 61.0182 -111.858 119.439 -50.8912 289.02 -12.7181 53.3074 25.5975 98.7638 PRESSAVG: 3498600 56.6259 -38.4279 -19.1599 -38.4278 5.54189 22.806 -19.1598 22.8061 -33.3563 GPRESSAVG: 3498600 57.8587 -39.0648 -17.2637 -37.5891 4.82704 20.9594 -19.2078 23.5313 -33.6886 TIMING: 3498600 CPU: 10413, 0.00291353/step Wall: 10413, 0.00291353/step, 1.2151 hours remaining, 208.992188 MB of memory in use. ENERGY: 3498600 725.1362 2019.7249 1954.9387 107.5336 -206687.8919 18138.4580 0.0000 0.0000 34615.7066 -149126.3938 302.3076 -183742.1004 -149032.0649 300.0284 115.8467 149.6007 556579.0694 9.6038 9.6657 PRESSURE: 3498800 -58.9981 -61.2576 307.56 -61.257 -19.544 39.7543 307.56 39.7544 -37.3213 GPRESSURE: 3498800 -53.8857 14.6096 263.812 -71.499 79.6412 31.9309 299.577 103.531 -46.5895 PRESSAVG: 3498800 89.1231 3.51517 35.6857 3.51523 44.1384 32.8415 35.6856 32.8415 -98.8473 GPRESSAVG: 3498800 88.3401 3.51465 37.077 3.62008 45.2278 34.6484 33.3973 33.1001 -99.0358 TIMING: 3498800 CPU: 10413.6, 0.00291357/step Wall: 10413.6, 0.00291357/step, 1.21496 hours remaining, 208.992188 MB of memory in use. ENERGY: 3498800 754.2965 2087.6240 1957.4288 112.2553 -206177.2427 17727.0428 0.0000 0.0000 34489.0509 -149049.5443 301.2015 -183538.5953 -148953.7029 300.4184 -38.6211 -6.9447 556523.0918 11.4714 11.5107 PRESSURE: 3499000 -107.139 -21.1978 -150.12 -21.1991 34.7343 19.4134 -150.118 19.4138 12.1897 GPRESSURE: 3499000 -116.546 13.4457 -157.865 -130.446 112.715 35.4715 -212.315 37.5344 34.4129 PRESSAVG: 3499000 -18.7103 -53.2553 -11.9812 -53.2553 14.3251 -43.3501 -11.9812 -43.3499 22.2714 GPRESSAVG: 3499000 -19.5091 -52.4143 -14.9223 -52.2206 14.3286 -44.7089 -10.5223 -44.1466 23.3502 TIMING: 3499000 CPU: 10414.2, 0.0029463/step Wall: 10414.2, 0.0029463/step, 1.22844 hours remaining, 208.992188 MB of memory in use. ENERGY: 3499000 737.1555 2005.0111 1961.0585 104.5129 -205898.2469 17707.0834 0.0000 0.0000 34405.0236 -148978.4019 300.4676 -183383.4255 -148885.0099 299.9551 -20.0717 10.1941 558092.8758 5.9621 6.0566 PRESSURE: 3499200 8.7317 -15.3508 108.645 -15.351 -62.3118 -162.901 108.644 -162.898 -234.3 GPRESSURE: 3499200 38.1018 33.7136 197.972 39.7919 -56.734 -161.03 68.6772 -153.774 -183.041 PRESSAVG: 3499200 63.0359 -6.04775 24.3251 -6.04776 -9.11724 12.1676 24.3251 12.1676 -40.7547 GPRESSAVG: 3499200 64.703 -6.75525 27.8255 -4.00719 -9.46862 14.0816 23.7692 12.1472 -41.6457 TIMING: 3499200 CPU: 10414.8, 0.00292738/step Wall: 10414.8, 0.00292738/step, 1.22039 hours remaining, 208.992188 MB of memory in use. ENERGY: 3499200 747.5510 2064.5520 1951.1815 125.6894 -205648.7031 17441.1774 0.0000 0.0000 34375.1988 -148943.3528 300.2072 -183318.5516 -148853.8151 300.2383 -95.9601 -67.2245 556488.4782 4.3880 4.5296 PRESSURE: 3499400 -97.8796 -27.3554 42.653 -27.3542 -72.4654 -17.5725 42.6529 -17.5734 -240.04 GPRESSURE: 3499400 -27.1166 -49.6763 39.7598 7.9825 -30.962 67.8729 46.0526 -79.7366 -271.082 PRESSAVG: 3499400 -34.5116 31.2838 68.0798 31.2838 -24.256 -2.21776 68.0799 -2.21772 78.0411 GPRESSAVG: 3499400 -34.7193 33.2221 66.6835 28.4205 -24.1236 -0.178224 67.8409 -3.82437 78.2359 TIMING: 3499400 CPU: 10415.4, 0.00296244/step Wall: 10415.4, 0.00296244/step, 1.23484 hours remaining, 208.992188 MB of memory in use. ENERGY: 3499400 735.9138 2062.3931 1919.1212 99.2121 -205692.2388 17578.2774 0.0000 0.0000 34352.0595 -148945.2619 300.0051 -183297.3213 -148848.2490 300.5310 -136.7951 -109.7203 558832.7798 6.4245 6.4643 PRESSURE: 3499600 -27.9725 -14.0173 171.981 -14.0182 127.598 23.5084 171.982 23.5082 19.9229 GPRESSURE: 3499600 -42.7949 -11.773 76.0674 -69.4397 208.097 76.4094 231.889 89.3399 45.3989 PRESSAVG: 3499600 -47.2198 -10.3623 24.8491 -10.3624 0.689911 -34.7974 24.8492 -34.7974 43.5134 GPRESSAVG: 3499600 -47.8021 -12.7538 24.5478 -8.01558 0.758566 -37.5176 24.1932 -34.1494 44.1317 TIMING: 3499600 CPU: 10416, 0.00294451/step Wall: 10416, 0.00294451/step, 1.22721 hours remaining, 208.992188 MB of memory in use. ENERGY: 3499600 760.6058 2078.3295 1926.3494 118.1725 -206282.7008 18095.2785 0.0000 0.0000 34305.7593 -148998.2058 299.6007 -183303.9651 -148917.0726 299.7693 39.8494 70.2338 558637.8286 -1.0055 -0.9706 PRESSURE: 3499800 25.9076 32.4286 -81.06 32.4278 89.0786 -42.031 -81.0597 -42.0312 -33.4477 GPRESSURE: 3499800 35.2038 -5.72268 13.9282 47.771 142.54 38.4849 -115.686 -139.353 -11.2647 PRESSAVG: 3499800 -22.5078 -0.66291 9.89455 -0.662931 0.98175 5.57818 9.89458 5.5783 40.9402 GPRESSAVG: 3499800 -21.2928 -1.1419 9.37631 -0.728814 0.456149 5.86106 10.5415 7.7479 39.3644 TIMING: 3499800 CPU: 10416.5, 0.00295829/step Wall: 10416.5, 0.00295829/step, 1.23279 hours remaining, 208.992188 MB of memory in use. ENERGY: 3499800 764.6822 2052.6992 1934.4833 123.6845 -206010.3675 17826.3179 0.0000 0.0000 34370.5736 -148937.9268 300.1668 -183308.5004 -148848.5956 299.9223 27.1795 55.4931 557949.0243 6.4714 6.1759 PRESSURE: 3500000 -280.105 -91.3925 -67.544 -91.3923 -136.79 -111.806 -67.5454 -111.808 188.65 GPRESSURE: 3500000 -177.712 -41.5487 -145.652 -61.9918 -119.826 -107.791 -23.2283 -98.2377 174.24 PRESSAVG: 3500000 20.4363 -5.29682 -35.283 -5.29682 6.7132 -5.02503 -35.2832 -5.02487 16.0282 GPRESSAVG: 3500000 19.0068 -4.61553 -34.9654 -5.00812 6.43807 -2.4058 -34.3236 -5.09684 17.884 TIMING: 3500000 CPU: 10417.1, 0.00294552/step Wall: 10417.1, 0.00294552/step, 1.2273 hours remaining, 208.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3500000 760.0492 2015.6451 1958.1566 123.8169 -205992.2181 17640.7403 0.0000 0.0000 34311.5880 -149182.2220 299.6516 -183493.8100 -149084.1282 299.9442 -76.0821 -41.0991 558151.6571 14.3926 14.4430 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3500000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 3500000 WRITING COORDINATES TO RESTART FILE AT STEP 3500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3500200 -158.998 -56.3962 54.4051 -56.395 -23.9794 149.11 54.4047 149.108 -117.038 GPRESSURE: 3500200 -92.0278 -19.0389 66.1273 -97.297 -25.7244 159.911 84.2848 124.139 -82.8888 PRESSAVG: 3500200 12.583 -8.54191 24.4416 -8.54197 -24.6717 -77.73 24.4415 -77.7302 1.26528 GPRESSAVG: 3500200 12.7126 -8.45697 24.9259 -8.84033 -24.5585 -79.6339 23.4856 -77.263 0.905733 TIMING: 3500200 CPU: 10417.7, 0.00303673/step Wall: 10417.7, 0.00303673/step, 1.26513 hours remaining, 208.992188 MB of memory in use. ENERGY: 3500200 735.4675 2040.9166 1922.9443 115.3625 -205842.5630 17494.7245 0.0000 0.0000 34298.2231 -149234.9244 299.5349 -183533.1476 -149139.8230 300.0783 -100.0052 -66.8803 558262.5298 -3.6078 -3.6467 LDB: ============= START OF LOAD BALANCING ============== 10421.3 LDB: ============== END OF LOAD BALANCING =============== 10421.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10421.3 LDB: ============= START OF LOAD BALANCING ============== 10421.6 LDB: Largest compute 4772 load 0.023443 is 19.8% of average load 0.118231 LDB: Average compute 0.001724 is 1.5% of average load 0.118231 LDB: TIME 10421.6 LOAD: AVG 0.118231 MAX 0.197818 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.82 MB LDB: TIME 10421.6 LOAD: AVG 0.118231 MAX 0.197818 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.02 MB LDB: TIME 10421.6 LOAD: AVG 0.118231 MAX 0.197818 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.02 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10421.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10421.6 PRESSURE: 3500400 -234.563 90.8261 -339.784 90.8258 -92.4058 180.322 -339.785 180.321 297.292 GPRESSURE: 3500400 -204.874 31.5107 -329.683 120.137 -35.7102 184.384 -295.835 124.292 301.818 PRESSAVG: 3500400 -32.5106 -7.13989 -16.478 -7.13992 -13.7972 26.9106 -16.4781 26.9105 47.3949 GPRESSAVG: 3500400 -33.1149 -6.53309 -15.2353 -8.80785 -13.2462 26.1044 -18.0734 25.6285 47.6192 TIMING: 3500400 CPU: 10418.4, 0.00303196/step Wall: 10418.4, 0.00303196/step, 1.26298 hours remaining, 208.148438 MB of memory in use. ENERGY: 3500400 718.8428 2060.2793 1914.7347 133.2798 -206061.3469 17670.3072 0.0000 0.0000 34247.0121 -149316.8910 299.0877 -183563.9031 -149219.9981 298.9860 -9.8923 20.4114 556521.2987 0.3624 0.4194 PRESSURE: 3500600 -126.747 68.4346 54.8581 68.4338 127.837 -14.0643 54.8574 -14.0643 -316.74 GPRESSURE: 3500600 -65.3927 22.1223 48.039 64.0422 152.005 -13.6883 33.7472 -26.6645 -300.28 PRESSAVG: 3500600 -39.993 -11.5532 -8.25824 -11.5532 -27.2901 3.44809 -8.25826 3.44804 57.9572 GPRESSAVG: 3500600 -38.6897 -12.6947 -10.1801 -9.85365 -27.4313 6.07282 -7.50073 3.86284 56.2009 TIMING: 3500600 CPU: 10418.9, 0.00295242/step Wall: 10418.9, 0.00295242/step, 1.22968 hours remaining, 208.347656 MB of memory in use. ENERGY: 3500600 753.2237 2062.4762 1939.7294 122.0556 -205897.9445 17553.7992 0.0000 0.0000 34200.2160 -149266.4444 298.6790 -183466.6604 -149178.1604 299.2612 -105.2165 -71.2225 558334.1771 -3.1086 -3.3067 PRESSURE: 3500800 10.7444 -17.3185 97.0361 -17.319 -191.861 -9.70312 97.0363 -9.7046 -177.776 GPRESSURE: 3500800 5.18474 -52.1189 66.0643 -20.6512 -191.605 -0.697842 86.8225 10.8189 -70.4089 PRESSAVG: 3500800 -47.0556 -51.9064 15.6417 -51.9064 34.8311 10.6162 15.6416 10.6163 9.84728 GPRESSAVG: 3500800 -48.3624 -52.1767 17.2108 -50.1736 35.3546 8.23345 16.2124 11.0412 10.8906 TIMING: 3500800 CPU: 10419.5, 0.00294617/step Wall: 10419.5, 0.00294617/step, 1.22691 hours remaining, 208.347656 MB of memory in use. ENERGY: 3500800 761.1900 2122.6833 1941.6715 108.7162 -206210.1966 17739.3018 0.0000 0.0000 34198.6816 -149337.9522 298.6656 -183536.6338 -149241.9230 299.6246 -119.6309 -85.6096 556894.8278 -0.7924 -0.7057 PRESSURE: 3501000 -167.885 -24.8999 -38.678 -24.8996 34.4355 56.8221 -38.677 56.8209 -85.6795 GPRESSURE: 3501000 -108.865 -55.3688 77.8035 -46.0947 65.0869 50.5463 -45.4756 23.2886 -90.0852 PRESSAVG: 3501000 30.512 3.66111 24.7356 3.66109 -40.9741 0.022164 24.7355 0.0222002 -4.27918 GPRESSAVG: 3501000 29.5331 3.49469 24.7845 0.54035 -40.6736 0.816873 25.2123 -2.39343 -4.05397 TIMING: 3501000 CPU: 10420.1, 0.00294987/step Wall: 10420.1, 0.00294987/step, 1.22829 hours remaining, 208.472656 MB of memory in use. ENERGY: 3501000 751.5736 2058.4549 1928.0295 133.5068 -205671.9662 17566.5257 0.0000 0.0000 34067.7584 -149166.1174 297.5222 -183233.8757 -149069.1355 299.4594 -73.0431 -44.6212 557624.8438 -4.9138 -5.0648 PRESSURE: 3501200 164.531 -11.3787 -93.2212 -11.377 -23.9936 3.71352 -93.2215 3.71464 173.373 GPRESSURE: 3501200 237.218 17.3122 -110.935 -86.7239 29.3242 21.9899 -33.9637 82.804 165.159 PRESSAVG: 3501200 5.20442 -6.73587 -11.6925 -6.73589 -6.51814 19.4041 -11.6925 19.4043 -23.4629 GPRESSAVG: 3501200 6.72828 -5.54209 -12.5238 -6.35874 -7.41799 17.9558 -12.282 21.5212 -24.5919 TIMING: 3501200 CPU: 10420.7, 0.00296481/step Wall: 10420.7, 0.00296481/step, 1.23435 hours remaining, 208.472656 MB of memory in use. ENERGY: 3501200 720.7226 2039.5127 1932.5725 123.0029 -206039.0280 17694.5570 0.0000 0.0000 34126.5768 -149402.0837 298.0359 -183528.6605 -149306.0478 299.7896 104.6368 143.9006 557017.0771 -8.2589 -8.4272 PRESSURE: 3501400 -53.2537 -30.8563 -46.1738 -30.8563 -236.501 137.407 -46.173 137.407 -100.289 GPRESSURE: 3501400 2.07093 -4.19686 -18.3201 -111.538 -229.123 268.458 -119.211 52.5738 -66.6898 PRESSAVG: 3501400 26.202 -11.0132 -34.505 -11.0132 -14.1001 30.5225 -34.505 30.5225 -11.4614 GPRESSAVG: 3501400 24.9432 -10.9738 -34.9757 -7.88943 -14.7871 30.8213 -32.9858 30.3576 -9.46407 TIMING: 3501400 CPU: 10421.3, 0.00293775/step Wall: 10421.3, 0.00293775/step, 1.22292 hours remaining, 208.472656 MB of memory in use. ENERGY: 3501400 753.2194 2079.5037 1958.4131 112.6323 -206285.4206 17820.8993 0.0000 0.0000 34252.7087 -149308.0441 299.1374 -183560.7528 -149208.5893 298.4555 -130.0146 -97.9138 559647.0131 0.2135 0.2307 PRESSURE: 3501600 157.495 -28.12 99.1206 -28.1221 148.722 90.547 99.1195 90.5465 -131.877 GPRESSURE: 3501600 227.583 -75.7478 153.957 -57.536 135.751 83.8929 -9.05116 157.662 -87.0486 PRESSAVG: 3501600 17.815 -38.235 32.3666 -38.2349 1.18555 30.5216 32.3667 30.5217 16.797 GPRESSAVG: 3501600 19.6487 -39.3199 34.818 -40.5573 0.990895 31.2999 30.7666 30.2602 15.0522 TIMING: 3501600 CPU: 10421.9, 0.00294836/step Wall: 10421.9, 0.00294836/step, 1.22717 hours remaining, 208.472656 MB of memory in use. ENERGY: 3501600 736.1850 2072.1395 1941.4303 109.8045 -206698.1978 18028.5322 0.0000 0.0000 34404.0972 -149406.0091 300.4595 -183810.1062 -149305.2545 299.3018 58.1133 92.0953 557434.0253 11.9325 11.8973 PRESSURE: 3501800 30.255 -75.2211 -56.6361 -75.2201 131.773 -59.4136 -56.6356 -59.415 15.2565 GPRESSURE: 3501800 10.618 -39.0938 2.13505 -95.7503 124.084 -81.1563 -109.997 -150.68 141.407 PRESSAVG: 3501800 2.14543 -44.0026 -7.32877 -44.0026 -61.8548 47.0043 -7.32886 47.0043 47.9882 GPRESSAVG: 3501800 1.52947 -42.9466 -8.59948 -44.0075 -61.4049 46.4847 -8.28381 46.881 48.4751 TIMING: 3501800 CPU: 10422.5, 0.00295005/step Wall: 10422.5, 0.00295005/step, 1.22771 hours remaining, 208.472656 MB of memory in use. ENERGY: 3501800 719.0150 2107.1371 1955.6366 125.5511 -206170.3768 17900.3675 0.0000 0.0000 34279.7424 -149082.9270 299.3735 -183362.6695 -148992.4282 299.1725 59.0948 92.0363 556749.6469 -3.9070 -3.8001 PRESSURE: 3502000 150.284 -30.9763 -70.1388 -30.9764 3.96483 -93.5169 -70.138 -93.5179 -55.5285 GPRESSURE: 3502000 189.928 -22.9597 -83.2486 -34.3887 7.70448 -136.754 -107.977 -72.1868 7.89958 PRESSAVG: 3502000 19.4099 -54.4356 -25.9015 -54.4356 32.1038 -3.28192 -25.9015 -3.28179 -2.53057 GPRESSAVG: 3502000 17.8518 -54.776 -26.0706 -54.0057 32.3729 -4.26854 -26.1529 -2.78389 -0.871328 TIMING: 3502000 CPU: 10423.1, 0.00294351/step Wall: 10423.1, 0.00294351/step, 1.22483 hours remaining, 208.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3502000 745.8836 2160.3960 1937.3571 109.2892 -206196.1663 17767.7219 0.0000 0.0000 34346.2425 -149129.2760 299.9543 -183475.5185 -149034.0981 299.4655 32.9069 68.5105 556806.4611 16.3277 16.4511 PRESSURE: 3502200 -65.2659 92.5629 -100.875 92.5628 -121.903 247.117 -100.874 247.116 206.399 GPRESSURE: 3502200 3.20598 48.0449 -129.793 56.8883 -71.8775 175.065 -119.21 257.212 183.324 PRESSAVG: 3502200 -11.0402 45.3206 -55.223 45.3206 -24.3199 -33.4095 -55.223 -33.4096 50.5003 GPRESSAVG: 3502200 -9.34709 44.7388 -55.8959 45.321 -23.4505 -32.7397 -56.5472 -34.1431 48.0535 TIMING: 3502200 CPU: 10423.7, 0.00295075/step Wall: 10423.7, 0.00295075/step, 1.22768 hours remaining, 208.472656 MB of memory in use. ENERGY: 3502200 731.9961 2116.5299 1938.8211 114.2360 -206072.6583 17651.9393 0.0000 0.0000 34382.2590 -149136.8769 300.2688 -183519.1358 -149044.1699 300.0072 6.4101 38.2176 557084.4410 5.0467 5.0853 PRESSURE: 3502400 12.8732 -73.6774 -45.0795 -73.6764 -120.372 -78.7444 -45.0798 -78.7438 62.5922 GPRESSURE: 3502400 56.9171 -74.0659 12.1179 -15.098 -69.7004 -82.4624 -57.5388 -25.6083 57.0676 PRESSAVG: 3502400 26.8326 -20.2368 -49.7098 -20.2368 -27.1798 21.12 -49.7097 21.12 31.9313 GPRESSAVG: 3502400 27.6236 -19.2283 -50.0966 -19.379 -27.6376 19.8795 -46.7387 22.6685 32.1197 TIMING: 3502400 CPU: 10424.2, 0.00294466/step Wall: 10424.2, 0.00294466/step, 1.22498 hours remaining, 208.472656 MB of memory in use. ENERGY: 3502400 747.2618 2113.2188 1935.4593 102.7003 -206534.1014 17977.6471 0.0000 0.0000 34548.0560 -149109.7581 301.7168 -183657.8141 -149006.1846 300.1619 -14.9688 14.7614 558334.6593 10.5280 10.7019 PRESSURE: 3502600 47.5054 -71.9616 115.101 -71.9622 -148.109 -79.3753 115.1 -79.3758 -43.1883 GPRESSURE: 3502600 93.8137 -55.8438 44.0651 -59.361 -134.257 -78.2143 158.498 -7.17649 -22.6393 PRESSAVG: 3502600 -44.6847 -44.1929 -40.3817 -44.193 53.5822 -11.7784 -40.3817 -11.7785 -7.52125 GPRESSAVG: 3502600 -45.5783 -44.4433 -37.406 -45.0014 52.6645 -9.20894 -41.8112 -12.6197 -6.88521 TIMING: 3502600 CPU: 10424.8, 0.00294751/step Wall: 10424.8, 0.00294751/step, 1.226 hours remaining, 208.472656 MB of memory in use. ENERGY: 3502600 770.3346 2115.3509 1931.9961 119.3013 -206400.3725 17844.9648 0.0000 0.0000 34328.4158 -149290.0090 299.7986 -183618.4248 -149189.7441 299.4900 -47.9308 -21.0276 558161.0300 0.4588 0.0670 PRESSURE: 3502800 271.056 151.483 -147.926 151.483 81.3869 -57.9209 -147.926 -57.9215 -267.312 GPRESSURE: 3502800 323.507 169.559 -157.653 105.369 97.8628 -101.945 -57.5673 -58.9968 -239.777 PRESSAVG: 3502800 19.399 -21.5766 -18.9683 -21.5767 -24.8881 -14.1304 -18.9684 -14.1305 11.6762 GPRESSAVG: 3502800 19.8232 -22.111 -18.6875 -21.8667 -24.2941 -16.9887 -18.8962 -13.2925 11.3996 TIMING: 3502800 CPU: 10425.4, 0.00294573/step Wall: 10425.4, 0.00294573/step, 1.2251 hours remaining, 208.472656 MB of memory in use. ENERGY: 3502800 730.2497 2064.3154 1944.1905 104.8819 -206538.2382 17867.0568 0.0000 0.0000 34360.8617 -149466.6824 300.0820 -183827.5441 -149369.2987 299.0534 28.3769 60.5310 557054.1613 2.0624 2.3096 PRESSURE: 3503000 186.138 -104.625 -60.1657 -104.626 -146.322 -77.4275 -60.1669 -77.4264 91.3395 GPRESSURE: 3503000 193.749 -1.4789 -85.4785 -188.543 -83.7559 -73.6971 -52.5918 -163.789 124.669 PRESSAVG: 3503000 13.0378 -18.9849 -82.7475 -18.9849 27.1607 11.5552 -82.7476 11.5553 -19.2143 GPRESSAVG: 3503000 13.1611 -17.9972 -85.8329 -18.9999 26.371 14.2584 -81.0853 9.54232 -19.003 TIMING: 3503000 CPU: 10426, 0.00295557/step Wall: 10426, 0.00295557/step, 1.22902 hours remaining, 208.472656 MB of memory in use. ENERGY: 3503000 724.7995 2125.2373 1928.8972 109.1521 -206474.0986 17865.5746 0.0000 0.0000 34269.6797 -149450.7582 299.2856 -183720.4379 -149355.6091 299.1669 43.7185 78.2208 556718.3533 6.9947 6.8430 PRESSURE: 3503200 -126.798 82.9556 178.956 82.9566 -14.9024 143.005 178.956 143.005 -151.332 GPRESSURE: 3503200 -18.6039 73.7447 282.035 25.4397 -20.3333 97.1443 172.985 114.8 -150.244 PRESSAVG: 3503200 -10.0188 -8.79156 -32.0442 -8.79155 28.5068 -12.6176 -32.0443 -12.6176 6.77678 GPRESSAVG: 3503200 -10.1264 -9.45213 -29.674 -8.29375 28.6827 -12.3578 -33.4747 -13.1185 6.74904 TIMING: 3503200 CPU: 10426.6, 0.00295276/step Wall: 10426.6, 0.00295276/step, 1.22769 hours remaining, 208.472656 MB of memory in use. ENERGY: 3503200 761.9947 2177.7677 1944.6676 106.7174 -206187.5423 17562.0651 0.0000 0.0000 34331.6350 -149302.6948 299.8267 -183634.3298 -149211.8826 299.4633 -97.6772 -63.0603 556595.1079 8.4216 8.4351 PRESSURE: 3503400 -236.667 -102.36 94.24 -102.362 -319.528 -104.756 94.2388 -104.757 115.416 GPRESSURE: 3503400 -222.68 -70.0184 100.006 -96.3322 -230.205 9.93705 93.2384 -136.578 107.111 PRESSAVG: 3503400 -5.97022 -50.3796 -47.8597 -50.3797 -31.2195 -20.1911 -47.8597 -20.191 45.6001 GPRESSAVG: 3503400 -6.2421 -51.3143 -48.6039 -48.448 -31.0365 -23.0982 -46.1454 -18.9067 45.3894 TIMING: 3503400 CPU: 10427.2, 0.0029252/step Wall: 10427.2, 0.0029252/step, 1.21607 hours remaining, 208.472656 MB of memory in use. ENERGY: 3503400 749.9922 2130.4086 1940.9833 108.3790 -206235.0275 17658.3759 0.0000 0.0000 34305.7654 -149341.1231 299.6008 -183646.8885 -149244.5356 299.3720 -146.9262 -115.2583 556726.1077 2.8035 2.7036 PRESSURE: 3503600 13.2638 -6.78374 17.9985 -6.78272 -168.374 -12.4055 17.9976 -12.4059 -100.88 GPRESSURE: 3503600 45.3114 -86.1679 22.5066 -12.0667 -194.075 -2.01131 73.0622 -128.484 0.494801 PRESSAVG: 3503600 -26.7635 -6.54134 -32.5451 -6.54125 51.0456 -71.7999 -32.5451 -71.7998 -4.69834 GPRESSAVG: 3503600 -27.0676 -5.43451 -32.0701 -7.96463 51.1832 -69.4829 -33.6242 -70.8109 -4.44903 TIMING: 3503600 CPU: 10427.8, 0.00294001/step Wall: 10427.8, 0.00294001/step, 1.22206 hours remaining, 208.472656 MB of memory in use. ENERGY: 3503600 736.2625 2056.5583 1922.9200 116.1487 -206081.6118 17616.7928 0.0000 0.0000 34332.3934 -149300.5362 299.8333 -183632.9296 -149208.3906 299.8731 -85.3304 -49.4230 556872.4065 6.5279 6.5555 PRESSURE: 3503800 393.575 42.0302 20.8557 42.0303 200.244 -3.59123 20.8557 -3.59155 -8.49603 GPRESSURE: 3503800 452.188 162.463 25.555 -43.3844 198.661 -2.24359 61.6461 -55.8323 19.7635 PRESSAVG: 3503800 48.7648 21.6733 9.76112 21.6733 -59.4306 -16.8375 9.76106 -16.8376 33.0759 GPRESSAVG: 3503800 49.846 20.9624 10.1177 22.3245 -59.5527 -18.5159 7.92619 -18.2464 31.9932 TIMING: 3503800 CPU: 10428.4, 0.00294688/step Wall: 10428.4, 0.00294688/step, 1.22476 hours remaining, 208.472656 MB of memory in use. ENERGY: 3503800 705.9302 2070.5718 1912.2213 109.5829 -206420.3534 18117.0957 0.0000 0.0000 34204.1201 -149300.8313 298.7131 -183504.9514 -149199.5485 299.8013 195.1077 223.5373 556088.5003 7.4700 7.4288 PRESSURE: 3504000 332.666 -192.437 230.056 -192.438 158.802 -81.7234 230.057 -81.721 -120.173 GPRESSURE: 3504000 350.709 -275.633 223.008 -118.153 213.647 -58.3362 282.119 -96.6782 -91.5741 PRESSAVG: 3504000 82.8427 22.4807 28.3002 22.4807 -36.6757 -15.7771 28.3001 -15.777 -31.4459 GPRESSAVG: 3504000 83.0226 21.1537 27.0314 22.2131 -36.5558 -14.6299 28.3309 -16.4848 -31.9095 TIMING: 3504000 CPU: 10429, 0.00295944/step Wall: 10429, 0.00295944/step, 1.22981 hours remaining, 208.472656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3504000 754.2849 2102.0248 1937.8794 106.7889 -206627.2360 18075.3074 0.0000 0.0000 34215.9970 -149434.9536 298.8168 -183650.9506 -149337.0592 298.7147 123.7651 157.5943 555192.1201 4.9071 4.8525 PRESSURE: 3504200 144.275 61.5714 -279.785 61.5694 109.826 -52.5419 -279.785 -52.5422 -65.2148 GPRESSURE: 3504200 130.949 -1.4166 -336.271 5.16467 184.53 -22.1163 -268.837 -169.297 -29.7212 PRESSAVG: 3504200 -34.8337 -39.8932 -6.60795 -39.8931 20.3766 6.77123 -6.60789 6.77122 21.7517 GPRESSAVG: 3504200 -35.1074 -40.637 -5.5888 -38.7016 19.9969 6.45986 -6.26197 7.31214 22.6404 TIMING: 3504200 CPU: 10429.6, 0.00293692/step Wall: 10429.6, 0.00293692/step, 1.22029 hours remaining, 208.472656 MB of memory in use. ENERGY: 3504200 733.0045 2068.6516 1949.3933 99.6719 -206691.3819 17994.9670 0.0000 0.0000 34541.5180 -149304.1758 301.6597 -183845.6937 -149208.5978 298.9631 62.9620 95.2527 557633.1316 2.4315 2.5100 LDB: ============= START OF LOAD BALANCING ============== 10433.1 LDB: ============== END OF LOAD BALANCING =============== 10433.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10433.1 LDB: ============= START OF LOAD BALANCING ============== 10433.4 LDB: Largest compute 4802 load 0.023813 is 20.1% of average load 0.118230 LDB: Average compute 0.001730 is 1.5% of average load 0.118230 LDB: TIME 10433.4 LOAD: AVG 0.11823 MAX 0.196885 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 10433.4 LOAD: AVG 0.11823 MAX 0.196885 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: TIME 10433.4 LOAD: AVG 0.11823 MAX 0.196885 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: ============== END OF LOAD BALANCING =============== 10433.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10433.4 PRESSURE: 3504400 115.851 42.914 -47.8356 42.9133 -229.996 47.333 -47.8351 47.3321 78.1316 GPRESSURE: 3504400 152.054 26.8752 -73.7031 60.6447 -235.698 34.8965 0.308071 11.8231 146.016 PRESSAVG: 3504400 -18.3698 6.96948 -62.5403 6.96941 16.876 -9.83999 -62.5402 -9.83994 -14.7706 GPRESSAVG: 3504400 -18.1395 9.49998 -62.8178 5.33115 17.0068 -8.22295 -61.1263 -10.2251 -15.1755 TIMING: 3504400 CPU: 10430.2, 0.00301002/step Wall: 10430.2, 0.00301002/step, 1.2505 hours remaining, 208.402344 MB of memory in use. ENERGY: 3504400 760.2666 2100.7307 1960.9189 121.7008 -206281.0685 17784.6940 0.0000 0.0000 34436.0412 -149116.7164 300.7385 -183552.7576 -149020.6241 299.7938 -12.0046 20.7909 557862.1556 -5.4215 -5.4361 PRESSURE: 3504600 205.189 -53.5742 -86.8397 -53.5752 10.6331 -21.4827 -86.8388 -21.4821 -43.0825 GPRESSURE: 3504600 227.496 57.5492 -100.141 -109.642 45.6899 -18.2453 -83.0214 63.2329 -15.3612 PRESSAVG: 3504600 11.9509 4.1161 6.46464 4.11609 -17.9288 10.455 6.46468 10.4551 0.0517856 GPRESSAVG: 3504600 11.4122 4.22521 4.69056 3.82826 -17.4339 9.01619 9.08285 11.8417 -0.183649 TIMING: 3504600 CPU: 10430.7, 0.00295451/step Wall: 10430.7, 0.00295451/step, 1.22727 hours remaining, 208.863281 MB of memory in use. ENERGY: 3504600 738.3564 2075.5394 1927.4072 111.0037 -205913.5246 17840.5673 0.0000 0.0000 34207.4949 -149013.1556 298.7426 -183220.6505 -148925.1976 299.4035 57.5797 85.9416 559607.7249 -1.9754 -2.0685 PRESSURE: 3504800 26.6129 9.31992 -49.944 9.3184 -172.481 68.4586 -49.9436 68.4586 -364.282 GPRESSURE: 3504800 -39.6219 27.1427 -103.588 16.6619 -120.603 30.9405 -52.5191 36.7233 -242.908 PRESSAVG: 3504800 -13.2202 -3.86255 -16.7281 -3.86253 80.9611 -41.1812 -16.728 -41.1812 -56.5078 GPRESSAVG: 3504800 -12.9022 -3.63168 -14.8474 -1.72091 80.6572 -41.0616 -19.9748 -41.5376 -55.9677 TIMING: 3504800 CPU: 10431.3, 0.00297159/step Wall: 10431.3, 0.00297159/step, 1.2342 hours remaining, 208.863281 MB of memory in use. ENERGY: 3504800 763.5432 2075.7396 1927.9258 100.4421 -205750.7169 17548.2683 0.0000 0.0000 34237.5817 -149097.2162 299.0053 -183334.7979 -148999.1587 299.9132 -170.0501 -134.3776 558590.1602 3.7444 3.9291 PRESSURE: 3505000 -97.6722 68.4481 52.4752 68.4499 -148.989 -60.6054 52.474 -60.6071 40.3931 GPRESSURE: 3505000 -41.5896 78.4847 149.199 98.2493 -120.412 -57.109 -85.6571 -134.611 54.9086 PRESSAVG: 3505000 47.3742 22.4322 -54.2682 22.4323 -8.1384 35.4354 -54.2681 35.4355 -56.3013 GPRESSAVG: 3505000 47.6613 20.9476 -54.9503 20.8413 -8.48132 34.4624 -55.5371 34.9638 -56.4643 TIMING: 3505000 CPU: 10431.9, 0.0029698/step Wall: 10431.9, 0.0029698/step, 1.23329 hours remaining, 208.863281 MB of memory in use. ENERGY: 3505000 706.6291 2145.8256 1946.0299 109.5258 -206172.3104 17634.0784 0.0000 0.0000 34480.7389 -149149.4827 301.1289 -183630.2217 -149050.1661 298.9671 -68.7559 -35.6977 557691.5581 -5.6885 -5.7614 PRESSURE: 3505200 -309.405 -10.0549 -161.818 -10.0547 -174.99 60.333 -161.819 60.332 -129.703 GPRESSURE: 3505200 -298.818 -65.7506 -182.288 33.6708 -148.621 26.3801 -182.233 85.0848 -75.4077 PRESSAVG: 3505200 -13.3516 -4.46239 2.83086 -4.46247 3.72636 -40.0854 2.83083 -40.0853 33.1063 GPRESSAVG: 3505200 -13.5745 -2.76681 4.79569 -4.22977 3.81749 -40.593 3.15843 -40.8312 33.1167 TIMING: 3505200 CPU: 10432.5, 0.00299812/step Wall: 10432.5, 0.00299812/step, 1.24489 hours remaining, 208.863281 MB of memory in use. ENERGY: 3505200 750.5646 2073.1827 1939.0653 115.8496 -205926.1179 17589.4872 0.0000 0.0000 34200.5440 -149257.4247 298.6819 -183457.9687 -149153.3187 299.7560 -204.6990 -174.2822 558621.7099 7.8270 7.7866 PRESSURE: 3505400 -194.26 -32.6184 91.3567 -32.6176 -30.4545 158.215 91.3569 158.215 -175.729 GPRESSURE: 3505400 -141.264 40.1068 100.464 -49.2156 -33.9867 65.345 74.5866 210.407 -135.305 PRESSAVG: 3505400 -2.181 -5.17866 5.4756 -5.17869 -8.5718 6.52925 5.47567 6.52929 26.4853 GPRESSAVG: 3505400 -1.94729 -5.60612 4.79792 -5.35551 -8.09623 6.94411 5.78668 6.46847 25.809 TIMING: 3505400 CPU: 10433.1, 0.00297541/step Wall: 10433.1, 0.00297541/step, 1.23529 hours remaining, 208.863281 MB of memory in use. ENERGY: 3505400 730.5074 2132.2790 1950.2636 109.5198 -206300.0739 17681.0597 0.0000 0.0000 34343.2130 -149353.2314 299.9278 -183696.4444 -149257.7721 299.4628 -133.4811 -103.5188 557192.8030 5.2442 5.2551 PRESSURE: 3505600 46.5465 -73.3181 -46.9509 -73.3181 -260.129 126.927 -46.9514 126.926 151.97 GPRESSURE: 3505600 109.77 -106.972 -116.623 -104.748 -219.602 96.1845 42.5566 155.233 135.406 PRESSAVG: 3505600 4.35428 -51.4565 -11.4507 -51.4566 -6.38243 32.4471 -11.4507 32.4472 -13.4616 GPRESSAVG: 3505600 4.64965 -51.7125 -10.9419 -51.2395 -6.85196 31.5641 -12.7988 34.331 -12.8005 TIMING: 3505600 CPU: 10433.7, 0.00297492/step Wall: 10433.7, 0.00297492/step, 1.23492 hours remaining, 208.863281 MB of memory in use. ENERGY: 3505600 749.5373 2043.4534 1921.7278 110.7910 -206239.7256 17781.2312 0.0000 0.0000 34281.4597 -149351.5253 299.3885 -183632.9849 -149251.4919 299.2363 -20.5374 8.5248 556313.9224 -5.1632 -5.0009 PRESSURE: 3505800 65.3836 61.4245 -1.16192 61.4249 -48.1386 4.4448 -1.16289 4.44638 168.1 GPRESSURE: 3505800 71.2179 49.4421 -38.7435 -0.955465 8.00161 25.1675 34.9384 16.1002 203.816 PRESSAVG: 3505800 52.5756 -72.1287 4.83036 -72.1287 -62.0006 28.3202 4.83036 28.3203 22.8164 GPRESSAVG: 3505800 51.4188 -73.7432 3.34621 -72.7606 -62.4082 30.2996 7.41143 24.7814 24.1151 TIMING: 3505800 CPU: 10434.3, 0.00293949/step Wall: 10434.3, 0.00293949/step, 1.22005 hours remaining, 208.863281 MB of memory in use. ENERGY: 3505800 718.8507 2076.8894 1930.4802 122.9058 -206312.6887 17958.2732 0.0000 0.0000 34161.6636 -149343.6257 298.3423 -183505.2893 -149250.6147 299.7707 61.7815 94.3453 556670.5660 4.4638 4.3752 PRESSURE: 3506000 -202.692 -54.4011 -63.8578 -54.4016 -139.028 -47.4041 -63.8565 -47.4043 -323.675 GPRESSURE: 3506000 -209.23 -59.609 14.2712 -30.0041 -27.6734 -9.48199 -144.058 30.023 -337.238 PRESSAVG: 3506000 3.47201 -30.0073 -19.8975 -30.0072 -53.5886 -8.56721 -19.8975 -8.56722 69.7384 GPRESSAVG: 3506000 4.25461 -28.5374 -20.2238 -29.7279 -52.6571 -10.0236 -19.7428 -5.39727 68.3444 TIMING: 3506000 CPU: 10434.9, 0.0029321/step Wall: 10434.9, 0.0029321/step, 1.21682 hours remaining, 208.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3506000 767.0149 2107.5454 1972.2673 117.7787 -205886.1360 17527.5951 0.0000 0.0000 34008.7856 -149385.1491 297.0072 -183393.9347 -149284.5499 299.0458 -221.7981 -191.3806 557139.5080 6.5406 6.6473 PRESSURE: 3506200 144.72 17.7607 15.4465 17.7594 -141.138 75.6037 15.4462 75.6047 -151.676 GPRESSURE: 3506200 116.135 -5.14815 10.9327 28.9492 -76.286 60.8741 51.7574 64.703 -85.9757 PRESSAVG: 3506200 21.3066 -20.5274 49.4978 -20.5273 14.742 2.77409 49.4978 2.77409 -19.5468 GPRESSAVG: 3506200 21.6962 -21.0022 49.349 -21.1346 14.5309 4.68702 48.327 0.115213 -19.0624 TIMING: 3506200 CPU: 10435.5, 0.00292785/step Wall: 10435.5, 0.00292785/step, 1.21489 hours remaining, 208.921875 MB of memory in use. ENERGY: 3506200 801.1729 2085.6446 1915.2917 121.8655 -206284.8830 17895.9094 0.0000 0.0000 34145.4920 -149319.5069 298.2011 -183464.9988 -149229.8303 298.7509 -49.3645 -15.3757 556789.5813 5.5006 5.7216 PRESSURE: 3506400 86.9635 23.2967 63.1723 23.296 -128.585 -69.4025 63.1718 -69.4006 -120.405 GPRESSURE: 3506400 36.8827 45.2757 12.6961 99.4064 -64.3229 -98.574 114.17 -152.218 -52.1977 PRESSAVG: 3506400 -2.71482 39.1529 -7.40991 39.1529 40.2593 3.90292 -7.4098 3.90296 -33.6582 GPRESSAVG: 3506400 -3.6817 37.9648 -6.24327 40.995 39.5443 3.48835 -7.73636 5.79555 -32.1115 TIMING: 3506400 CPU: 10436.1, 0.00292491/step Wall: 10436.1, 0.00292491/step, 1.21351 hours remaining, 208.921875 MB of memory in use. ENERGY: 3506400 762.4995 2051.6734 1957.0229 117.7711 -206280.6521 17713.0299 0.0000 0.0000 34371.2806 -149307.3748 300.1729 -183678.6554 -149201.9164 298.7347 -54.0088 -26.5460 557014.2637 1.2954 1.2504 PRESSURE: 3506600 -87.8191 24.7861 92.1928 24.7864 93.9995 -8.99167 92.1933 -8.9892 -84.6811 GPRESSURE: 3506600 -17.6145 -32.5328 148.081 58.0005 137.502 108.597 11.7007 9.56704 -112.174 PRESSAVG: 3506600 -21.0067 14.171 10.2838 14.171 21.6663 -34.6573 10.2837 -34.6573 5.41797 GPRESSAVG: 3506600 -19.8686 14.8935 10.7596 12.8934 23.0642 -34.2976 11.3741 -35.2189 3.44456 TIMING: 3506600 CPU: 10436.7, 0.00294167/step Wall: 10436.7, 0.00294167/step, 1.2203 hours remaining, 208.921875 MB of memory in use. ENERGY: 3506600 753.6176 2090.5957 1937.5838 114.0018 -206299.0500 17913.0514 0.0000 0.0000 34238.2338 -149251.9659 299.0110 -183490.1998 -149160.4610 299.5396 -26.1669 2.5710 557456.2134 2.0258 2.2134 PRESSURE: 3506800 -367.639 -4.27125 -17.1412 -4.27041 13.2877 35.8411 -17.1417 35.842 -52.1242 GPRESSURE: 3506800 -322.066 77.4941 18.3635 -26.3899 92.604 -30.2041 0.895055 86.5858 -76.363 PRESSAVG: 3506800 -142.997 11.4001 33.1155 11.4001 32.3595 33.2784 33.1155 33.2785 63.0182 GPRESSAVG: 3506800 -142.411 11.6896 32.8563 10.9351 31.403 31.4813 32.8264 33.47 63.7771 TIMING: 3506800 CPU: 10437.2, 0.00295755/step Wall: 10437.2, 0.00295755/step, 1.22672 hours remaining, 208.921875 MB of memory in use. ENERGY: 3506800 750.5046 2071.9695 1921.1633 113.3853 -206132.2124 17703.6675 0.0000 0.0000 34274.0520 -149297.4701 299.3238 -183571.5222 -149197.6505 299.4230 -135.4919 -101.9416 557884.8965 -15.8731 -15.7437 PRESSURE: 3507000 -151.61 74.7359 120.507 74.7367 -108.493 -45.1575 120.508 -45.157 125.131 GPRESSURE: 3507000 -159.204 95.7119 100.94 83.467 2.1745 -38.7036 67.284 -74.3222 135.691 PRESSAVG: 3507000 -69.6796 -7.08165 37.9131 -7.08163 -0.779595 18.7498 37.913 18.7498 65.4937 GPRESSAVG: 3507000 -70.9605 -7.79039 38.1856 -3.5103 -0.338086 20.892 38.9437 18.3986 66.0213 TIMING: 3507000 CPU: 10437.8, 0.00297274/step Wall: 10437.8, 0.00297274/step, 1.23286 hours remaining, 208.921875 MB of memory in use. ENERGY: 3507000 736.2024 2091.7527 1935.2396 119.8969 -206311.9649 17768.1531 0.0000 0.0000 34313.9813 -149346.7389 299.6725 -183660.7202 -149248.5318 298.9506 -44.9906 -7.1130 556476.3506 -1.6552 -1.7591 PRESSURE: 3507200 -368.013 -32.6858 204.998 -32.6864 -130.058 -0.629078 204.998 -0.630126 -18.865 GPRESSURE: 3507200 -317.709 -32.5511 219.276 -9.91371 -89.7525 34.8781 224.155 -4.15285 -8.89837 PRESSAVG: 3507200 -111.937 -25.0076 49.9319 -25.0076 -0.948904 -68.2476 49.9319 -68.2475 95.3894 GPRESSAVG: 3507200 -111.459 -25.9547 51.5772 -27.8938 -2.24392 -68.9803 47.9881 -68.7987 95.7339 TIMING: 3507200 CPU: 10438.4, 0.00295497/step Wall: 10438.4, 0.00295497/step, 1.22533 hours remaining, 208.921875 MB of memory in use. ENERGY: 3507200 771.7134 2083.4618 1927.8629 115.4711 -206056.6781 17607.3641 0.0000 0.0000 34139.6506 -149411.1541 298.1501 -183550.8047 -149318.4600 298.6298 -172.3120 -138.7865 557853.6513 -5.8321 -5.9896 PRESSURE: 3507400 -55.8985 62.9642 26.7946 62.9653 -184.947 104.288 26.7922 104.286 23.1495 GPRESSURE: 3507400 -34.0032 120.626 -98.3894 91.4335 -174.066 73.1354 116.26 123.87 93.159 PRESSAVG: 3507400 15.7811 -14.0019 84.4357 -14.002 8.76909 -50.0454 84.4357 -50.0455 -21.2612 GPRESSAVG: 3507400 16.9897 -14.8169 84.0498 -12.1912 9.38755 -52.0986 85.581 -48.4624 -23.1464 TIMING: 3507400 CPU: 10439, 0.00294416/step Wall: 10439, 0.00294416/step, 1.22068 hours remaining, 208.921875 MB of memory in use. ENERGY: 3507400 745.6478 2124.9191 1952.9707 123.3839 -206487.4069 17930.2404 0.0000 0.0000 34253.8650 -149356.3802 299.1475 -183610.2451 -149250.3636 299.1892 -72.5655 -38.3033 558101.2301 1.0963 1.0770 PRESSURE: 3507600 -151.603 -207.756 -135.918 -207.755 258.772 155.749 -135.917 155.748 39.4538 GPRESSURE: 3507600 -99.7475 -146.793 -107.773 -187.828 202.523 241.188 -139.565 170.276 144.672 PRESSAVG: 3507600 -38.5737 -29.04 3.37559 -29.0399 18.2219 0.527926 3.37543 0.527845 27.4494 GPRESSAVG: 3507600 -39.7879 -26.9525 2.27554 -31.7063 17.9967 1.73982 2.17295 -0.960614 29.6429 TIMING: 3507600 CPU: 10439.6, 0.0029572/step Wall: 10439.6, 0.0029572/step, 1.22592 hours remaining, 208.921875 MB of memory in use. ENERGY: 3507600 741.6324 2078.0328 1940.5142 111.5062 -206443.1575 17921.3302 0.0000 0.0000 34452.2752 -149197.8665 300.8803 -183650.1417 -149099.2868 299.3703 48.8739 82.4825 557585.0535 2.3659 2.6172 PRESSURE: 3507800 -136.866 -188.161 -51.5348 -188.159 -346.555 -140.6 -51.535 -140.6 134.817 GPRESSURE: 3507800 -74.4776 -183.022 -103.466 -230.416 -289.282 -134.368 48.8173 -151.67 115.375 PRESSAVG: 3507800 -27.9533 -40.9311 3.10911 -40.931 63.1998 -15.5117 3.10919 -15.5118 -29.4271 GPRESSAVG: 3507800 -27.2066 -41.453 3.06935 -40.0204 62.7548 -14.6016 2.31266 -15.6471 -30.0768 TIMING: 3507800 CPU: 10440.2, 0.00294944/step Wall: 10440.2, 0.00294944/step, 1.22254 hours remaining, 208.921875 MB of memory in use. ENERGY: 3507800 767.7355 2100.4312 1924.4005 123.1331 -206271.5757 17817.3396 0.0000 0.0000 34333.5502 -149204.9855 299.8434 -183538.5358 -149107.3706 299.9356 -116.2013 -82.7951 558081.5277 1.9398 1.8238 PRESSURE: 3508000 -96.7079 -86.3602 -70.8067 -86.3599 -43.1427 -71.9861 -70.8063 -71.9862 69.6153 GPRESSURE: 3508000 -36.6126 -155.87 -125.62 -108.954 -61.0197 -18.2566 -70.4738 -90.9285 127.897 PRESSAVG: 3508000 -8.63437 -29.5875 -82.3536 -29.5875 -29.3219 -53.4505 -82.3535 -53.4505 13.8893 GPRESSAVG: 3508000 -9.67572 -29.4129 -84.5656 -29.1487 -28.1405 -54.7789 -80.797 -54.1738 14.2497 TIMING: 3508000 CPU: 10440.8, 0.00292532/step Wall: 10440.8, 0.00292532/step, 1.21238 hours remaining, 208.921875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3508000 752.3423 2118.2558 1961.7252 114.3839 -206590.5075 17938.5204 0.0000 0.0000 34438.3116 -149266.9684 300.7583 -183705.2800 -149166.6122 300.2180 -23.4118 10.0883 558145.3465 -8.0223 -7.8555 PRESSURE: 3508200 97.0437 153.828 -1.41883 153.829 -69.9133 144.633 -1.41816 144.633 -136.128 GPRESSURE: 3508200 166.031 129.786 -90.9302 194.137 -82.8471 69.1385 64.0522 178.664 -94.9999 PRESSAVG: 3508200 -14.8852 -5.16926 -23.8505 -5.16914 42.6263 6.25501 -23.8505 6.25491 31.6126 GPRESSAVG: 3508200 -15.4792 -6.28024 -21.5038 -4.03939 41.9725 6.98341 -25.4839 5.85123 32.4723 TIMING: 3508200 CPU: 10441.4, 0.00295088/step Wall: 10441.4, 0.00295088/step, 1.22281 hours remaining, 208.921875 MB of memory in use. ENERGY: 3508200 721.9012 2139.5782 1919.0840 121.8137 -206329.9894 17915.2678 0.0000 0.0000 34291.7733 -149220.5711 299.4786 -183512.3444 -149116.4477 300.0773 -36.3326 -3.9386 558916.0887 19.7846 19.6552 LDB: ============= START OF LOAD BALANCING ============== 10444.9 LDB: ============== END OF LOAD BALANCING =============== 10444.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10444.9 LDB: ============= START OF LOAD BALANCING ============== 10445.2 LDB: Largest compute 4772 load 0.024253 is 20.5% of average load 0.118220 LDB: Average compute 0.001733 is 1.5% of average load 0.118220 LDB: TIME 10445.2 LOAD: AVG 0.11822 MAX 0.197181 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.535 MB LDB: TIME 10445.2 LOAD: AVG 0.11822 MAX 0.197181 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.535 MB LDB: TIME 10445.2 LOAD: AVG 0.11822 MAX 0.197181 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.535 MB LDB: ============== END OF LOAD BALANCING =============== 10445.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10445.2 PRESSURE: 3508400 -219.036 3.90101 119.68 3.90086 69.3414 25.8664 119.679 25.8659 -154.155 GPRESSURE: 3508400 -231.676 40.097 157.073 27.0726 145.719 56.4391 66.1234 53.8616 -107.88 PRESSAVG: 3508400 48.3944 28.939 -8.36191 28.9391 -31.2665 22.2856 -8.36186 22.2856 -14.5734 GPRESSAVG: 3508400 49.0536 29.8442 -7.42004 29.1294 -31.5721 23.8735 -7.92112 23.0666 -15.2518 TIMING: 3508400 CPU: 10442, 0.00300962/step Wall: 10442, 0.00300962/step, 1.24698 hours remaining, 207.113281 MB of memory in use. ENERGY: 3508400 757.5033 2080.0756 1912.1663 111.9554 -206056.5632 17756.5985 0.0000 0.0000 34143.5642 -149294.7000 298.1842 -183438.2642 -149200.1571 298.9199 -101.2832 -64.6124 558932.5214 0.8515 0.7432 PRESSURE: 3508600 235.781 56.4471 22.9821 56.4472 -99.6263 21.9172 22.9808 21.9181 -22.1664 GPRESSURE: 3508600 257.445 102.076 57.0202 -85.7826 -96.5426 -12.0992 35.475 21.211 33.2008 PRESSAVG: 3508600 -77.0293 42.531 13.2223 42.531 -0.883791 -20.0571 13.2224 -20.0572 65.8844 GPRESSAVG: 3508600 -76.6536 43.7659 10.8133 41.3868 -2.59363 -22.3092 15.822 -19.237 67.0035 TIMING: 3508600 CPU: 10442.6, 0.00292795/step Wall: 10442.6, 0.00292795/step, 1.21298 hours remaining, 207.113281 MB of memory in use. ENERGY: 3508600 750.5773 2111.0002 1929.1868 112.9722 -206547.5338 18097.2024 0.0000 0.0000 34332.6457 -149213.9490 299.8355 -183546.5947 -149114.7392 298.6798 37.9960 64.7011 558740.7409 -4.0096 -4.0813 PRESSURE: 3508800 -376.847 -75.7162 140.175 -75.717 128.578 -13.1494 140.176 -13.1493 108.766 GPRESSURE: 3508800 -363.189 -127.678 105.954 -21.4538 190.496 34.0784 144.185 7.66754 119.877 PRESSAVG: 3508800 -44.802 -8.14796 27.1581 -8.14793 11.6397 -48.5267 27.1581 -48.5266 18.0655 GPRESSAVG: 3508800 -44.3358 -8.27064 28.0836 -7.47231 12.6791 -47.7668 25.1993 -49.9755 15.8579 TIMING: 3508800 CPU: 10443.2, 0.0029574/step Wall: 10443.2, 0.0029574/step, 1.22502 hours remaining, 207.113281 MB of memory in use. ENERGY: 3508800 783.3951 2127.6407 1928.6334 117.4074 -206141.9027 17773.8807 0.0000 0.0000 34214.2736 -149196.6718 298.8018 -183410.9453 -149103.2106 299.3837 -46.5008 -17.6053 559347.5124 -5.0323 -5.2663 PRESSURE: 3509000 -146.382 -140.086 114.957 -140.087 -131.648 -203.074 114.958 -203.074 63.6882 GPRESSURE: 3509000 -117.517 -125.616 108.203 -57.8994 -84.567 -151.524 195.065 -149.217 79.1346 PRESSAVG: 3509000 -26.9958 -20.1672 15.5164 -20.1671 25.9607 6.57088 15.5165 6.5709 15.3915 GPRESSAVG: 3509000 -28.6102 -21.5611 16.445 -20.4761 27.5944 3.7901 16.9854 10.2597 15.0975 TIMING: 3509000 CPU: 10443.7, 0.00293985/step Wall: 10443.7, 0.00293985/step, 1.21759 hours remaining, 207.113281 MB of memory in use. ENERGY: 3509000 769.9060 2077.9596 1959.4574 116.2383 -206254.1933 17757.9774 0.0000 0.0000 34238.4931 -149334.1616 299.0133 -183572.6547 -149235.5832 298.8647 -71.4472 -40.9830 559013.6498 4.7854 4.6939 PRESSURE: 3509200 -61.9365 166.326 132.475 166.326 -178.957 2.43078 132.474 2.43134 64.7168 GPRESSURE: 3509200 -35.0698 106.839 100.01 198.29 -86.3238 76.407 166.357 -42.6835 41.5098 PRESSAVG: 3509200 0.852097 40.602 31.4801 40.6021 15.2872 -1.10462 31.48 -1.10468 -43.7753 GPRESSAVG: 3509200 2.03047 40.9236 32.5324 42.1529 14.3115 1.48434 30.6972 -2.65196 -43.7819 TIMING: 3509200 CPU: 10444.3, 0.00297101/step Wall: 10444.3, 0.00297101/step, 1.23033 hours remaining, 207.113281 MB of memory in use. ENERGY: 3509200 776.4714 2094.6666 1945.1117 119.3412 -206393.2583 17820.9535 0.0000 0.0000 34206.9061 -149429.8078 298.7374 -183636.7140 -149338.4816 299.2308 -58.7256 -26.6279 558034.1380 -9.2120 -9.1467 PRESSURE: 3509400 -411.173 -85.2205 -11.1284 -85.2191 -107.39 -106.181 -11.1288 -106.18 -28.1859 GPRESSURE: 3509400 -338.989 -84.7887 -48.3884 -53.8506 -44.9567 -129.911 -74.681 -68.8614 -67.7844 PRESSAVG: 3509400 -22.7401 -12.7017 35.2166 -12.7016 -22.8991 -1.28586 35.2167 -1.28579 19.4414 GPRESSAVG: 3509400 -24.3626 -13.0046 33.7791 -14.5015 -22.5854 -2.54496 34.1954 -0.768636 20.3391 TIMING: 3509400 CPU: 10444.9, 0.00295151/step Wall: 10444.9, 0.00295151/step, 1.22209 hours remaining, 207.113281 MB of memory in use. ENERGY: 3509400 744.7286 2119.6496 1926.3531 113.3302 -206078.9465 17721.0461 0.0000 0.0000 33973.4289 -149480.4101 296.6984 -183453.8390 -149388.9396 298.8114 -182.2496 -150.5767 559809.7986 -8.7326 -8.8696 PRESSURE: 3509600 -118.306 -38.3813 -112.683 -38.3829 -2.88626 -258.141 -112.684 -258.14 -63.2489 GPRESSURE: 3509600 -92.4425 -55.3852 -152.494 -38.1019 52.5226 -252.727 2.01242 -217.622 -60.7929 PRESSAVG: 3509600 -26.846 -1.74427 32.4082 -1.74428 -2.09898 -9.94974 32.4082 -9.94977 -12.3018 GPRESSAVG: 3509600 -25.7055 -1.82879 32.0211 -1.60452 -2.94558 -9.6499 32.2822 -9.55432 -12.3808 TIMING: 3509600 CPU: 10445.5, 0.00292885/step Wall: 10445.5, 0.00292885/step, 1.21254 hours remaining, 207.113281 MB of memory in use. ENERGY: 3509600 776.3044 2112.2087 1922.0131 113.2517 -206065.6277 17802.6089 0.0000 0.0000 33946.4049 -149392.8361 296.4624 -183339.2410 -149297.4208 298.2180 -61.4805 -33.5709 557679.0143 -13.7489 -13.6773 PRESSURE: 3509800 105.972 -175.507 293.235 -175.507 -139.675 64.2218 293.235 64.2206 -137.142 GPRESSURE: 3509800 162.218 -233.581 258.896 -186.506 -147.879 19.0078 218.21 117.153 -77.2553 PRESSAVG: 3509800 -60.6965 0.461287 -0.161286 0.461284 103.802 0.336101 -0.1614 0.336214 -24.9258 GPRESSAVG: 3509800 -60.5444 0.866172 0.920703 -1.42165 102.641 -0.55379 0.109388 -1.01358 -23.8889 TIMING: 3509800 CPU: 10446.1, 0.002948/step Wall: 10446.1, 0.002948/step, 1.22031 hours remaining, 207.113281 MB of memory in use. ENERGY: 3509800 734.9099 2047.2585 1944.4021 114.3517 -205947.6668 17538.4698 0.0000 0.0000 34122.7774 -149445.4974 298.0027 -183568.2748 -149347.1001 298.0247 -56.9484 -20.9723 557372.9502 6.0600 6.0691 PRESSURE: 3510000 -86.9985 131.01 101.923 131.01 -71.5026 -13.0286 101.923 -13.0289 36.6763 GPRESSURE: 3510000 -60.2806 89.8534 61.0668 120.072 -55.1577 -37.2482 131.549 18.2748 88.9835 PRESSAVG: 3510000 -8.36009 -37.6415 60.1227 -37.6414 -4.04807 -34.0075 60.1227 -34.0076 -18.4635 GPRESSAVG: 3510000 -8.73541 -37.0968 59.7352 -38.2167 -3.44597 -31.8368 61.0402 -35.2107 -19.0781 TIMING: 3510000 CPU: 10446.7, 0.00294107/step Wall: 10446.7, 0.00294107/step, 1.21728 hours remaining, 207.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3510000 698.1523 2054.4448 1930.6657 105.7110 -206164.5982 17789.5671 0.0000 0.0000 34049.5942 -149536.4629 297.3636 -183586.0571 -149445.1164 298.3584 -40.6083 -8.8183 558715.7671 -10.2905 -10.4198 PRESSURE: 3510200 -42.9911 -73.1956 50.8564 -73.1964 -48.1518 25.3124 50.8564 25.3104 -168.117 GPRESSURE: 3510200 -43.3038 -41.1432 97.7279 -119.191 -11.127 103.839 -6.74598 -42.9593 -107.392 PRESSAVG: 3510200 58.1872 -23.4189 64.3635 -23.4189 -42.6162 -13.1967 64.3634 -13.1967 -5.90595 GPRESSAVG: 3510200 58.3817 -23.2153 64.7954 -20.0486 -42.8861 -16.1532 63.5928 -10.8927 -5.73933 TIMING: 3510200 CPU: 10447.3, 0.00295705/step Wall: 10447.3, 0.00295705/step, 1.22373 hours remaining, 207.113281 MB of memory in use. ENERGY: 3510200 760.7562 2029.9322 1933.9382 117.1279 -206461.2059 17920.2926 0.0000 0.0000 34305.7422 -149393.4167 299.6006 -183699.1589 -149300.7974 298.4695 -86.4199 -53.9409 558181.4682 3.2217 3.2521 PRESSURE: 3510400 254.195 -34.5745 53.0702 -34.5743 202.232 257.19 53.0705 257.189 129.848 GPRESSURE: 3510400 274.906 -3.50376 54.0406 -37.0774 256.633 315.394 68.5792 277.981 146.819 PRESSAVG: 3510400 -53.3126 52.084 10.0397 52.084 -1.17871 29.4277 10.0397 29.4276 25.4392 GPRESSAVG: 3510400 -52.7994 52.5798 10.7451 50.017 -0.759937 32.7212 10.6841 27.9596 24.4066 TIMING: 3510400 CPU: 10447.9, 0.00294825/step Wall: 10447.9, 0.00294825/step, 1.21992 hours remaining, 207.113281 MB of memory in use. ENERGY: 3510400 711.8443 2076.4853 1899.3768 113.9235 -206565.3021 18095.2366 0.0000 0.0000 34323.5887 -149344.8469 299.7564 -183668.4356 -149249.5918 298.3071 195.4251 226.1194 558219.9607 -9.6840 -9.7176 PRESSURE: 3510600 -86.1989 -72.4143 -25.1071 -72.4157 -206.578 85.7992 -25.1066 85.8004 -30.7753 GPRESSURE: 3510600 -11.7162 -130.388 28.4075 -153.584 -174.964 64.1249 -100.576 147.95 -45.8286 PRESSAVG: 3510600 -31.6718 -41.6887 -20.6306 -41.6889 35.8057 39.5222 -20.6306 39.5222 -27.5253 GPRESSAVG: 3510600 -31.8079 -43.6499 -21.3798 -39.2358 36.6618 38.1365 -22.0722 39.1783 -27.8263 TIMING: 3510600 CPU: 10448.5, 0.00295553/step Wall: 10448.5, 0.00295553/step, 1.22277 hours remaining, 207.113281 MB of memory in use. ENERGY: 3510600 765.0965 2115.9565 1923.0803 126.6926 -206246.5979 17592.3330 0.0000 0.0000 34438.4049 -149285.0341 300.7592 -183723.4391 -149200.1222 299.1664 -107.8509 -77.5030 557210.1373 -7.7971 -7.6575 PRESSURE: 3510800 -144.6 -99.3326 20.6216 -99.3331 65.987 62.4033 20.6224 62.4044 -329.642 GPRESSURE: 3510800 -88.8749 -91.3072 79.5653 -67.1082 99.1706 132.584 73.3911 7.73784 -325.182 PRESSAVG: 3510800 -38.1417 -25.1821 -47.2677 -25.1819 20.4947 -43.324 -47.2677 -43.324 73.5064 GPRESSAVG: 3510800 -38.4564 -24.512 -47.3003 -27.5515 21.2587 -41.6953 -45.9612 -43.0873 73.3197 TIMING: 3510800 CPU: 10449.1, 0.00294881/step Wall: 10449.1, 0.00294881/step, 1.21982 hours remaining, 207.113281 MB of memory in use. ENERGY: 3510800 785.8684 2071.7626 1940.6580 122.5970 -206295.9876 17799.5933 0.0000 0.0000 34175.1355 -149400.3729 298.4600 -183575.5084 -149299.9229 299.4571 -136.0850 -104.9622 557735.6492 18.6198 18.7073 PRESSURE: 3511000 -110.253 87.3133 -39.4975 87.3117 232.122 -125.565 -39.4982 -125.565 60.0907 GPRESSURE: 3511000 -42.7158 187.692 -93.4689 -103.633 238.046 -129.724 -17.637 -132.802 92.2015 PRESSAVG: 3511000 3.07316 -66.1415 -41.5024 -66.1414 18.5774 -61.3989 -41.5024 -61.3989 -30.4091 GPRESSAVG: 3511000 2.96245 -66.3909 -40.4152 -66.2909 16.851 -61.1375 -42.246 -61.5369 -29.3652 TIMING: 3511000 CPU: 10449.6, 0.00294062/step Wall: 10449.6, 0.00294061/step, 1.21627 hours remaining, 207.113281 MB of memory in use. ENERGY: 3511000 725.9210 2151.6119 1934.1782 114.3365 -206564.7534 18025.0830 0.0000 0.0000 34096.7619 -149516.8609 297.7755 -183613.6228 -149421.8399 298.6114 60.6531 95.8439 557449.6354 -2.9195 -3.1839 PRESSURE: 3511200 121.584 -50.7205 -209.032 -50.72 286.562 56.728 -209.031 56.7268 -83.0549 GPRESSURE: 3511200 154.732 -69.017 -246.607 -8.4182 344.125 5.34195 -242.103 24.4983 -87.8909 PRESSAVG: 3511200 -97.5031 12.6719 -4.46304 12.6719 68.6052 -80.6058 -4.46312 -80.6058 29.726 GPRESSAVG: 3511200 -97.6647 12.6834 -6.65944 14.1634 68.9097 -81.5471 -3.23734 -80.7573 29.3398 TIMING: 3511200 CPU: 10450.2, 0.00293964/step Wall: 10450.2, 0.00293964/step, 1.2157 hours remaining, 207.113281 MB of memory in use. ENERGY: 3511200 743.6267 2138.5364 1925.0093 113.8632 -206400.5172 18022.4647 0.0000 0.0000 34211.9694 -149245.0474 298.7816 -183457.0168 -149153.1532 299.4075 108.3635 136.9888 557962.8839 0.2760 0.1950 PRESSURE: 3511400 144.512 -95.9507 75.3408 -95.9514 -0.855084 -37.1607 75.3394 -37.1602 119.645 GPRESSURE: 3511400 146.411 -57.4539 37.2995 -158.728 26.9765 2.35839 21.1684 -79.5895 174.953 PRESSAVG: 3511400 -11.4394 0.161206 -50.1064 0.161185 -13.161 -6.43616 -50.1065 -6.43629 16.8684 GPRESSAVG: 3511400 -10.1792 -2.02871 -50.2038 0.0257112 -13.2108 -7.58708 -49.4366 -5.9198 15.9489 TIMING: 3511400 CPU: 10450.8, 0.00295794/step Wall: 10450.8, 0.00295794/step, 1.22311 hours remaining, 207.113281 MB of memory in use. ENERGY: 3511400 745.3061 2095.1505 1915.7221 117.8354 -206150.9470 17838.3092 0.0000 0.0000 34253.4787 -149185.1449 299.1441 -183438.6237 -149085.2050 299.0562 87.7673 116.1134 558244.7569 -2.5773 -2.4804 PRESSURE: 3511600 -206.259 -19.9623 117.082 -19.9605 -155.684 123.296 117.082 123.295 -108.186 GPRESSURE: 3511600 -180.846 -64.8265 158.594 33.3589 -112.201 47.7974 49.3117 240.019 -92.2756 PRESSAVG: 3511600 -27.2558 -6.89755 6.1063 -6.89765 58.8455 -17.5517 6.10629 -17.5517 -59.2682 GPRESSAVG: 3511600 -28.6517 -6.58094 6.81053 -8.25965 58.1596 -17.0767 5.03642 -18.0099 -57.5744 TIMING: 3511600 CPU: 10451.4, 0.0029424/step Wall: 10451.4, 0.0029424/step, 1.21652 hours remaining, 207.113281 MB of memory in use. ENERGY: 3511600 763.2438 2166.5885 1959.9125 124.7142 -205933.1904 17705.6257 0.0000 0.0000 34004.4429 -149208.6627 296.9693 -183213.1056 -149113.2607 299.1702 -156.7096 -128.4410 559371.0185 -9.2262 -9.3555 PRESSURE: 3511800 -195.207 -28.5408 -15.4694 -28.5401 -31.4114 -272.342 -15.4687 -272.343 -147.521 GPRESSURE: 3511800 -130.605 -79.4132 -66.1628 -74.0544 -44.4609 -151.997 -53.1223 -292.98 -95.0712 PRESSAVG: 3511800 -36.3905 -40.5952 -24.0752 -40.5952 22.8513 -29.3705 -24.0752 -29.3705 -15.8693 GPRESSAVG: 3511800 -34.8106 -39.573 -23.9922 -40.535 22.1101 -29.0397 -24.2229 -27.7454 -16.678 TIMING: 3511800 CPU: 10452, 0.00292385/step Wall: 10452, 0.00292385/step, 1.20869 hours remaining, 207.113281 MB of memory in use. ENERGY: 3511800 746.5858 2124.3118 1938.5368 107.3742 -206095.9234 17589.0622 0.0000 0.0000 34402.8948 -149187.1578 300.4490 -183590.0526 -149093.3749 299.3326 -124.7132 -90.0456 557591.3459 -9.8028 -9.7928 PRESSURE: 3512000 -46.9541 68.7721 -16.0004 68.7712 14.9583 -85.2738 -16.0006 -85.2737 100.536 GPRESSURE: 3512000 -0.0765314 -2.46163 -38.4061 169.714 62.7527 -80.0977 -49.2086 -109.098 127.464 PRESSAVG: 3512000 -2.7664 1.32346 9.4054 1.3235 -38.613 -53.0981 9.40538 -53.0982 59.5435 GPRESSAVG: 3512000 -3.76059 1.03549 10.1693 2.15587 -37.7689 -52.6294 10.7994 -55.7609 59.7157 TIMING: 3512000 CPU: 10452.6, 0.00293616/step Wall: 10452.6, 0.00293615/step, 1.21361 hours remaining, 207.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3512000 757.5675 2039.5073 1940.2664 120.1589 -206207.8847 17841.5892 0.0000 0.0000 34469.6523 -149039.1430 301.0320 -183508.7953 -148946.8790 299.9714 22.8468 63.3802 558227.9630 6.0547 6.0621 PRESSURE: 3512200 254.523 -18.8359 107.475 -18.8366 -120.601 -49.0507 107.474 -49.0512 -31.8097 GPRESSURE: 3512200 217.06 -33.4966 33.0253 62.1507 -35.1857 -57.6483 47.1952 -17.8259 15.6647 PRESSAVG: 3512200 54.4806 3.62335 35.5264 3.62336 -63.6645 -45.5607 35.5264 -45.5606 62.8655 GPRESSAVG: 3512200 54.4774 5.00351 36.4499 3.08982 -63.6742 -48.0402 32.8885 -44.7116 62.8895 TIMING: 3512200 CPU: 10453.2, 0.00294074/step Wall: 10453.2, 0.00294074/step, 1.21534 hours remaining, 207.113281 MB of memory in use. ENERGY: 3512200 732.1247 2078.9260 1911.6256 125.1953 -205854.8671 17632.4999 0.0000 0.0000 34299.2573 -149075.2383 299.5439 -183374.4956 -148978.4345 300.0576 34.0377 65.8462 556351.4831 17.8939 17.8976 LDB: ============= START OF LOAD BALANCING ============== 10456.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10456.7 LDB: =============== DONE WITH MIGRATION ================ 10456.7 LDB: ============= START OF LOAD BALANCING ============== 10457 LDB: Largest compute 4772 load 0.024539 is 20.8% of average load 0.118253 LDB: Average compute 0.001740 is 1.5% of average load 0.118253 LDB: TIME 10457 LOAD: AVG 0.118253 MAX 0.198158 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.789 MB LDB: TIME 10457 LOAD: AVG 0.118253 MAX 0.198158 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.793 MB LDB: TIME 10457 LOAD: AVG 0.118253 MAX 0.198158 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.793 MB LDB: ============== END OF LOAD BALANCING =============== 10457 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10457 PRESSURE: 3512400 113.473 -21.9025 33.7338 -21.9034 -181.099 -41.8831 33.7335 -41.8841 46.7178 GPRESSURE: 3512400 146.371 -2.92613 49.394 -47.8292 -129.64 -76.1382 20.8312 -12.4404 74.1139 PRESSAVG: 3512400 10.8825 -19.6687 7.23816 -19.6686 -48.8544 25.9655 7.23811 25.9653 3.29172 GPRESSAVG: 3512400 12.3347 -17.8198 6.57772 -21.0843 -48.6708 26.9912 7.47095 26.0632 1.79781 TIMING: 3512400 CPU: 10453.8, 0.00302153/step Wall: 10453.8, 0.00302153/step, 1.24857 hours remaining, 205.632812 MB of memory in use. ENERGY: 3512400 759.6661 2041.7823 1948.0678 121.7994 -206251.8030 17792.4027 0.0000 0.0000 34465.0693 -149123.0155 300.9920 -183588.0848 -149022.4441 299.8019 -6.9694 30.2818 557946.2322 -11.5601 -11.5127 PRESSURE: 3512600 -93.0107 -161.598 233.092 -161.598 139.109 -4.08348 233.091 -4.08215 250.588 GPRESSURE: 3512600 -83.5662 -184.985 266.872 -171.178 191.265 -42.3188 230.49 -20.4878 284.786 PRESSAVG: 3512600 81.4276 10.6936 37.5935 10.6936 -35.4392 6.31416 37.5935 6.31423 -43.7105 GPRESSAVG: 3512600 80.4789 10.1893 35.0643 10.6016 -35.263 6.45728 38.3562 5.06629 -42.9966 TIMING: 3512600 CPU: 10454.4, 0.00293881/step Wall: 10454.4, 0.00293881/step, 1.21422 hours remaining, 205.632812 MB of memory in use. ENERGY: 3512600 739.0237 2089.1163 1942.5184 119.5835 -206470.1612 18048.0456 0.0000 0.0000 34299.7078 -149232.1659 299.5479 -183531.8737 -149144.3282 299.8282 98.8956 130.8284 557820.6351 0.7593 0.7398 PRESSURE: 3512800 -279.446 98.9281 -184.277 98.9293 123.144 -152.003 -184.278 -152.002 -184.642 GPRESSURE: 3512800 -176.973 54.4223 -139.624 115.384 79.6553 -57.6882 -207.231 -114.802 -143.216 PRESSAVG: 3512800 11.0904 -14.3529 -48.2921 -14.3529 -22.2528 -14.7001 -48.2921 -14.7 18.8413 GPRESSAVG: 3512800 10.2231 -14.0577 -44.2874 -12.8435 -23.2267 -14.4959 -51.2664 -12.9297 20.3489 TIMING: 3512800 CPU: 10454.9, 0.00292614/step Wall: 10454.9, 0.00292614/step, 1.20882 hours remaining, 205.632812 MB of memory in use. ENERGY: 3512800 746.0912 2110.2413 1905.0607 113.2506 -205998.5399 17702.7055 0.0000 0.0000 34112.1933 -149308.9974 297.9103 -183421.1907 -149215.6733 298.8172 -113.6482 -80.1779 558483.7426 2.5596 2.4484 PRESSURE: 3513000 -74.7676 -24.9343 -30.7334 -24.9347 -63.7683 -94.2363 -30.7334 -94.2337 -89.5866 GPRESSURE: 3513000 -15.2989 -8.89376 -37.9054 25.4371 12.051 -86.5112 24.0315 -130.147 -118.577 PRESSAVG: 3513000 40.036 19.7431 5.99409 19.7431 -27.5055 -61.6443 5.9941 -61.6442 -40.8957 GPRESSAVG: 3513000 41.3724 18.8281 3.73419 21.326 -27.0385 -60.2454 9.26444 -62.836 -42.9528 TIMING: 3513000 CPU: 10455.5, 0.00295658/step Wall: 10455.5, 0.00295658/step, 1.22123 hours remaining, 205.632812 MB of memory in use. ENERGY: 3513000 720.9877 2069.3785 1945.8088 108.3484 -206173.0285 17682.0837 0.0000 0.0000 34402.0820 -149244.3394 300.4419 -183646.4214 -149151.7869 298.6221 -76.0408 -40.6085 558367.0032 -9.4550 -9.5396 PRESSURE: 3513200 14.6147 125.928 -36.7257 125.93 8.16766 86.6199 -36.7264 86.6207 -259.598 GPRESSURE: 3513200 8.95246 158.379 -8.93468 82.593 36.5208 68.8912 -15.857 40.2208 -190.111 PRESSAVG: 3513200 0.329486 -7.49548 -39.8388 -7.49539 -31.2281 33.9312 -39.8388 33.9312 67.8008 GPRESSAVG: 3513200 -1.25143 -6.42621 -39.8687 -8.53847 -30.3921 32.1423 -40.5872 34.3247 68.5635 TIMING: 3513200 CPU: 10456.1, 0.00295193/step Wall: 10456.1, 0.00295193/step, 1.21915 hours remaining, 205.632812 MB of memory in use. ENERGY: 3513200 748.4128 2110.7529 1945.9896 108.8022 -206420.6178 17867.7596 0.0000 0.0000 34200.0716 -149438.8291 298.6777 -183638.9007 -149337.4082 298.9450 -78.9384 -48.2125 558422.8925 12.3007 12.3067 PRESSURE: 3513400 68.1052 20.1004 -22.7413 20.1019 -3.75602 122.41 -22.7419 122.41 125.295 GPRESSURE: 3513400 139.117 -37.9488 -88.2356 56.1006 12.0548 77.7049 -45.438 177.558 139.745 PRESSAVG: 3513400 27.3998 27.8804 -8.1828 27.8805 -25.193 -20.4721 -8.18282 -20.4722 -21.0881 GPRESSAVG: 3513400 27.5562 27.2543 -5.626 28.3469 -25.1814 -19.5128 -8.92756 -19.2675 -20.6927 TIMING: 3513400 CPU: 10456.7, 0.00296589/step Wall: 10456.7, 0.00296589/step, 1.22475 hours remaining, 205.632812 MB of memory in use. ENERGY: 3513400 737.1748 2106.9110 1939.1716 118.2573 -206576.8597 18051.6982 0.0000 0.0000 34327.4019 -149296.2450 299.7897 -183623.6469 -149201.3891 298.5812 63.2148 96.9725 557564.8513 -6.2938 -6.1060 PRESSURE: 3513600 -69.0534 -87.754 -20.068 -87.7515 -157.314 13.7985 -20.0673 13.797 11.4981 GPRESSURE: 3513600 -47.6267 -171.965 -74.4374 -106.161 -152.145 -3.46258 -18.882 64.0793 83.8646 PRESSAVG: 3513600 -74.0315 -3.28949 36.2701 -3.28947 12.7568 -14.6086 36.2701 -14.6086 57.8779 GPRESSAVG: 3513600 -73.1243 -3.65211 34.6052 -4.60658 12.2625 -14.5929 36.2231 -14.9603 58.1253 TIMING: 3513600 CPU: 10457.3, 0.00299548/step Wall: 10457.3, 0.00299548/step, 1.2368 hours remaining, 205.632812 MB of memory in use. ENERGY: 3513600 740.8142 2093.2087 1954.0902 118.8690 -206117.4481 17685.4313 0.0000 0.0000 34292.2128 -149232.8220 299.4824 -183525.0348 -149135.6842 298.4794 -71.6232 -38.6357 557358.8473 -1.1323 -0.9122 PRESSURE: 3513800 -171.692 -71.3465 169.321 -71.3466 -2.02477 100.01 169.32 100.01 -49.6158 GPRESSURE: 3513800 -105.252 -170.51 181.63 -36.5383 20.615 118.218 126.791 80.8347 -28.9826 PRESSAVG: 3513800 43.1154 -22.2218 39.2483 -22.2217 -14.127 7.98547 39.2484 7.9854 18.0104 GPRESSAVG: 3513800 42.9302 -22.7719 39.4445 -23.6037 -12.5093 7.89796 39.516 8.00046 17.4797 TIMING: 3513800 CPU: 10457.9, 0.00296167/step Wall: 10457.9, 0.00296167/step, 1.22267 hours remaining, 205.632812 MB of memory in use. ENERGY: 3513800 727.3161 2062.1276 1929.9308 114.7897 -205971.8370 17684.6468 0.0000 0.0000 34175.9236 -149277.1023 298.4668 -183453.0259 -149183.5871 299.8103 -74.4440 -37.8730 557842.2637 15.6663 15.9669 PRESSURE: 3514000 145.161 -264.85 10.4917 -264.851 112.016 -83.5416 10.491 -83.5435 340.568 GPRESSURE: 3514000 206.96 -245.299 24.8351 -197.583 144.018 -132.067 -10.8325 -86.9836 347.146 PRESSAVG: 3514000 -24.1228 -29.2234 -16.5331 -29.2234 35.2095 51.8319 -16.533 51.8319 -4.59589 GPRESSAVG: 3514000 -23.9942 -28.0515 -15.2475 -25.8985 34.111 53.2124 -16.5097 51.536 -3.90166 TIMING: 3514000 CPU: 10458.5, 0.00292633/step Wall: 10458.5, 0.00292633/step, 1.20792 hours remaining, 205.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3514000 758.8793 2048.6923 1936.1690 118.8761 -206635.5619 18186.4275 0.0000 0.0000 34329.0191 -149257.4986 299.8039 -183586.5177 -149164.9082 298.7398 199.2484 232.7078 557555.8890 2.1636 2.0717 PRESSURE: 3514200 -31.9305 195.664 -26.3664 195.664 162.164 98.6492 -26.3668 98.6477 55.3403 GPRESSURE: 3514200 40.3884 219.791 5.44876 145.74 130.874 34.6736 -59.8056 50.475 105.234 PRESSAVG: 3514200 -30.1765 56.4896 -12.4952 56.4896 55.1499 -34.1148 -12.4952 -34.1147 -35.2849 GPRESSAVG: 3514200 -31.0392 57.0807 -13.86 55.0421 55.0114 -36.5213 -11.808 -33.1663 -34.7586 TIMING: 3514200 CPU: 10459.1, 0.00294217/step Wall: 10459.1, 0.00294217/step, 1.2143 hours remaining, 205.632812 MB of memory in use. ENERGY: 3514200 741.3486 2103.0537 1934.6015 119.2372 -206379.6040 17977.0242 0.0000 0.0000 34276.5062 -149227.8325 299.3453 -183504.3387 -149132.4073 298.8737 61.8579 92.1653 557166.6376 -3.4372 -3.5954 PRESSURE: 3514400 -293.046 -41.5034 -102.927 -41.5024 1.83505 -103.751 -102.928 -103.753 10.9626 GPRESSURE: 3514400 -284.25 56.6739 -66.5932 -48.3289 -12.0704 -74.4554 -82.5912 -108.943 118.421 PRESSAVG: 3514400 -50.93 0.401731 -26.8959 0.401686 40.1684 53.3869 -26.8959 53.3868 70.0635 GPRESSAVG: 3514400 -49.4192 -0.449778 -26.7372 0.873959 39.4525 54.6964 -27.1229 53.3647 69.1478 TIMING: 3514400 CPU: 10459.7, 0.00294636/step Wall: 10459.7, 0.00294636/step, 1.21587 hours remaining, 205.632812 MB of memory in use. ENERGY: 3514400 731.5905 2046.3896 1916.5090 112.1197 -206061.8533 17707.8409 0.0000 0.0000 34154.3990 -149393.0045 298.2789 -183547.4035 -149297.2029 298.9166 -93.4161 -59.2997 557023.7621 19.7673 19.7270 PRESSURE: 3514600 58.1699 133.546 -119.61 133.547 -143.798 128.581 -119.611 128.581 -1.42052 GPRESSURE: 3514600 111.601 174.281 -80.8608 174.243 -118.332 138.768 -142.102 55.3644 9.49806 PRESSAVG: 3514600 -0.132156 28.7352 -33.2895 28.7353 58.472 -17.8476 -33.2894 -17.8475 -73.5646 GPRESSAVG: 3514600 -1.18158 30.1717 -32.0182 27.4901 58.2085 -19.1381 -33.5747 -18.4532 -72.7665 TIMING: 3514600 CPU: 10460.3, 0.00293438/step Wall: 10460.3, 0.00293438/step, 1.21076 hours remaining, 205.632812 MB of memory in use. ENERGY: 3514600 728.5284 2045.0553 1942.5180 107.8315 -206130.1657 17672.1636 0.0000 0.0000 34188.2608 -149445.8081 298.5746 -183634.0690 -149351.4474 299.0794 -29.0163 0.9223 557177.3508 -5.0749 -5.2466 PRESSURE: 3514800 173.103 -100.123 -46.4598 -100.124 -33.9235 210.619 -46.4585 210.62 -49.8797 GPRESSURE: 3514800 215.006 -99.1339 -37.2176 -52.1609 -2.20257 194.499 -129.57 262.659 -29.224 PRESSAVG: 3514800 2.25333 30.5596 -71.0384 30.5596 34.5408 26.9792 -71.0383 26.9792 -12.2047 GPRESSAVG: 3514800 2.83366 30.1679 -72.9278 29.165 34.3196 28.557 -67.74 26.8113 -12.7334 TIMING: 3514800 CPU: 10460.9, 0.0029447/step Wall: 10460.9, 0.0029447/step, 1.21485 hours remaining, 205.632812 MB of memory in use. ENERGY: 3514800 713.3159 2089.5098 1948.0514 106.4091 -206091.1852 17618.9884 0.0000 0.0000 34169.7294 -149445.1812 298.4127 -183614.9106 -149349.1924 298.1160 29.7667 61.1930 557588.2990 8.1965 8.1399 PRESSURE: 3515000 51.1404 52.1498 77.0136 52.1516 -89.3525 -56.9208 77.0122 -56.9192 32.2355 GPRESSURE: 3515000 34.6348 -0.684905 87.2774 124.576 -17.6562 -12.5751 17.4364 10.0027 77.6684 PRESSAVG: 3515000 -88.5034 -48.5877 6.93497 -48.5877 48.7497 0.2531 6.93497 0.253062 30.9272 GPRESSAVG: 3515000 -88.3103 -49.8592 7.90344 -47.3319 48.5182 -0.172261 4.20248 1.18447 31.1155 TIMING: 3515000 CPU: 10461.4, 0.00295826/step Wall: 10461.4, 0.00295826/step, 1.22028 hours remaining, 205.632812 MB of memory in use. ENERGY: 3515000 757.0645 2099.2912 1930.0199 112.5309 -206587.8765 17833.5662 0.0000 0.0000 34246.0727 -149609.3311 299.0795 -183855.4038 -149517.4688 298.4643 -1.9922 31.5490 556301.2522 -2.9422 -2.8922 PRESSURE: 3515200 -189.757 -102.73 157.946 -102.731 -66.8311 -4.50435 157.946 -4.50592 -102.015 GPRESSURE: 3515200 -157.432 -101.341 196.586 -30.2516 -38.4224 -5.90985 12.837 31.7114 -62.8498 PRESSAVG: 3515200 21.4908 -27.6489 -38.9881 -27.6488 -17.738 -12.0044 -38.9881 -12.0044 16.8005 GPRESSAVG: 3515200 21.5556 -27.3407 -40.5618 -29.3996 -16.5756 -11.8716 -39.3427 -13.0332 16.1403 TIMING: 3515200 CPU: 10462, 0.00297394/step Wall: 10462, 0.00297394/step, 1.22659 hours remaining, 205.632812 MB of memory in use. ENERGY: 3515200 749.2648 2112.2851 1939.9918 103.8450 -206313.6172 17823.4131 0.0000 0.0000 33986.9430 -149597.8743 296.8164 -183584.8173 -149502.9576 298.4858 -119.5343 -86.2349 557982.6047 6.8511 7.0401 PRESSURE: 3515400 -185.37 155.757 6.526 155.757 -384.177 -158.922 6.52796 -158.924 -247.145 GPRESSURE: 3515400 -191.193 226.008 16.9324 -2.39209 -321.013 -179.153 59.7581 -156.589 -199.114 PRESSAVG: 3515400 -6.48679 -4.22234 -36.8004 -4.22236 -35.7557 22.7278 -36.8003 22.7278 21.5777 GPRESSAVG: 3515400 -5.99127 -5.83678 -36.6817 -3.38307 -36.8368 22.6915 -36.5899 23.0076 22.1829 TIMING: 3515400 CPU: 10462.6, 0.00295793/step Wall: 10462.6, 0.00295793/step, 1.21982 hours remaining, 205.632812 MB of memory in use. ENERGY: 3515400 767.3551 2078.3022 1925.9188 117.7656 -206035.9343 17597.0916 0.0000 0.0000 34120.7831 -149428.7178 297.9853 -183549.5010 -149324.8537 298.5692 -272.2307 -237.1069 557947.4840 -6.8883 -6.8817 PRESSURE: 3515600 -34.3835 123.475 -186.172 123.475 83.4972 -93.3619 -186.172 -93.3613 -135.997 GPRESSURE: 3515600 2.56765 35.0679 -124.136 159.748 62.8591 33.5756 -176.046 -153.821 -55.6594 PRESSAVG: 3515600 10.3016 28.1492 -36.3176 28.1491 -53.9452 0.376356 -36.3177 0.376299 2.47297 GPRESSAVG: 3515600 10.3064 28.2398 -33.0782 28.0738 -53.6036 1.85269 -35.7204 1.48889 2.1642 TIMING: 3515600 CPU: 10463.2, 0.00294583/step Wall: 10463.2, 0.00294583/step, 1.21466 hours remaining, 205.632812 MB of memory in use. ENERGY: 3515600 735.9338 2087.9399 1922.0020 117.9949 -206158.0183 17753.8522 0.0000 0.0000 34226.7215 -149313.5739 298.9105 -183540.2954 -149210.1566 298.5407 -28.9612 3.2558 557318.5285 -13.7235 -13.7110 PRESSURE: 3515800 59.5622 267.106 -49.8798 267.107 98.9244 13.4934 -49.8791 13.4943 -121.109 GPRESSURE: 3515800 127.241 217.073 -13.2676 295.331 121.012 -8.03884 -9.29326 -68.8596 -126.789 PRESSAVG: 3515800 8.29023 15.436 -13.7733 15.436 -0.836375 -23.1721 -13.7733 -23.1721 -18.1201 GPRESSAVG: 3515800 7.33217 15.4158 -16.0404 16.0868 -1.09797 -24.7499 -14.427 -23.87 -17.7625 TIMING: 3515800 CPU: 10463.8, 0.00293441/step Wall: 10463.8, 0.00293441/step, 1.20979 hours remaining, 205.632812 MB of memory in use. ENERGY: 3515800 738.8104 2030.5738 1954.4142 115.1534 -206398.0422 17857.3198 0.0000 0.0000 34405.0796 -149296.6910 300.4681 -183701.7706 -149203.1963 298.5640 12.4592 40.4879 557777.4856 -3.5554 -3.8428 PRESSURE: 3516000 214.833 18.2185 -82.4198 18.2195 360.394 36.4903 -82.419 36.4897 194.25 GPRESSURE: 3516000 170.282 77.3139 -14.1592 -9.12225 370.15 119.016 -41.1331 -103.395 324.084 PRESSAVG: 3516000 29.5985 18.9332 15.364 18.9331 15.5123 1.89637 15.364 1.89631 -7.34041 GPRESSAVG: 3516000 28.0446 18.2909 14.9046 19.0633 16.3154 3.3814 16.6466 0.581689 -6.62327 TIMING: 3516000 CPU: 10464.4, 0.00292907/step Wall: 10464.4, 0.00292907/step, 1.20743 hours remaining, 205.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3516000 746.0586 2048.0967 1956.4644 114.6275 -206793.5952 18424.8289 0.0000 0.0000 34062.3236 -149441.1954 297.4747 -183503.5190 -149346.7999 298.4773 256.4922 288.1723 558754.7117 12.5901 12.5789 PRESSURE: 3516200 -72.0697 11.4297 63.0808 11.4286 -45.6977 -3.11434 63.0796 -3.11291 37.6926 GPRESSURE: 3516200 -51.5535 -30.9049 16.0047 26.3143 3.96682 46.3849 28.059 4.03845 62.4128 PRESSAVG: 3516200 -6.599 -21.5389 -2.55258 -21.5388 -45.0624 -28.1152 -2.55273 -28.1152 14.8408 GPRESSAVG: 3516200 -5.81066 -21.4552 -1.48621 -21.2014 -45.6835 -30.7862 -3.8411 -24.319 14.4942 TIMING: 3516200 CPU: 10465, 0.00294734/step Wall: 10465, 0.00294734/step, 1.2148 hours remaining, 205.632812 MB of memory in use. ENERGY: 3516200 732.4463 2073.1917 1926.8326 101.2968 -206077.5735 17729.1116 0.0000 0.0000 34262.4930 -149252.2016 299.2229 -183514.6946 -149152.1430 298.5718 -26.6916 4.9420 559258.3703 -12.2735 -12.3334 LDB: ============= START OF LOAD BALANCING ============== 10468.5 LDB: ============== END OF LOAD BALANCING =============== 10468.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10468.5 LDB: ============= START OF LOAD BALANCING ============== 10468.8 LDB: Largest compute 4772 load 0.024828 is 21.0% of average load 0.118266 LDB: Average compute 0.001730 is 1.5% of average load 0.118266 LDB: TIME 10468.8 LOAD: AVG 0.118266 MAX 0.199007 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.18 MB LDB: TIME 10468.8 LOAD: AVG 0.118266 MAX 0.199007 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.184 MB LDB: TIME 10468.8 LOAD: AVG 0.118266 MAX 0.199007 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.184 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10468.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10468.8 PRESSURE: 3516400 71.4172 -155.273 75.8144 -155.274 -231.521 -25.2407 75.8134 -25.2413 -364.577 GPRESSURE: 3516400 111.846 -244.731 51.1895 -37.4225 -180.178 -15.9413 124.051 -76.9064 -355.17 PRESSAVG: 3516400 16.8877 -29.6876 2.85303 -29.6876 4.13276 -31.5555 2.85297 -31.5553 -41.9038 GPRESSAVG: 3516400 17.8155 -28.3921 2.37554 -30.262 4.03162 -31.2662 2.77063 -34.1498 -42.7784 TIMING: 3516400 CPU: 10465.6, 0.0030373/step Wall: 10465.6, 0.0030373/step, 1.2517 hours remaining, 208.335938 MB of memory in use. ENERGY: 3516400 764.0266 2060.7083 1947.0298 116.6213 -205907.2418 17689.4533 0.0000 0.0000 34075.7464 -149253.6559 297.5920 -183329.4024 -149152.6730 299.3648 -174.8936 -141.1673 558365.1336 -6.9611 -6.9771 PRESSURE: 3516600 45.7165 0.834347 65.6078 0.835059 -2.5834 -122.135 65.6088 -122.136 87.6544 GPRESSURE: 3516600 58.9208 5.27269 122.483 -19.748 67.3393 -165.716 75.7729 -111.566 107.06 PRESSAVG: 3516600 3.47844 -21.7923 61.1879 -21.7922 61.029 -50.0958 61.1879 -50.0958 -64.9421 GPRESSAVG: 3516600 2.72782 -22.3956 59.5651 -22.5922 61.635 -48.6207 61.6382 -50.6121 -64.0559 TIMING: 3516600 CPU: 10466.2, 0.00294491/step Wall: 10466.2, 0.00294491/step, 1.21347 hours remaining, 208.535156 MB of memory in use. ENERGY: 3516600 741.4012 2057.6730 1933.3651 121.6329 -206460.7314 18133.1842 0.0000 0.0000 34256.1712 -149217.3038 299.1677 -183473.4749 -149120.6592 298.2142 43.5958 77.7734 558738.8727 -0.1449 0.1023 PRESSURE: 3516800 24.7441 -44.9575 142.26 -44.9589 95.9 -49.0089 142.26 -49.0101 -64.0247 GPRESSURE: 3516800 29.3861 -53.4647 83.4574 -43.295 144.153 15.5081 225.367 -45.2947 -21.2915 PRESSAVG: 3516800 69.6515 -20.0044 12.2109 -20.0044 56.7905 -10.9954 12.211 -10.9955 -111.948 GPRESSAVG: 3516800 70.3178 -20.0138 13.6972 -18.4557 56.9182 -12.3628 11.8799 -10.0688 -112.806 TIMING: 3516800 CPU: 10466.8, 0.00295708/step Wall: 10466.8, 0.00295708/step, 1.21832 hours remaining, 208.535156 MB of memory in use. ENERGY: 3516800 760.8003 2110.2366 1923.4462 119.2844 -206363.1311 18076.1664 0.0000 0.0000 34187.2748 -149185.9225 298.5660 -183373.1973 -149087.7618 299.4257 18.8731 50.7493 560652.8987 4.8314 4.8099 PRESSURE: 3517000 -66.827 82.0009 24.696 82.0013 -25.0227 18.2819 24.6954 18.2826 -164.892 GPRESSURE: 3517000 -8.42893 42.4056 102.272 86.8345 0.439197 -1.26092 -2.41304 58.3015 -154.979 PRESSAVG: 3517000 15.0834 21.5903 49.8622 21.5903 72.1756 -8.01296 49.8622 -8.01294 -89.8655 GPRESSAVG: 3517000 14.4427 20.7703 49.8874 21.2647 72.6594 -9.84047 49.5392 -7.10285 -89.7578 TIMING: 3517000 CPU: 10467.4, 0.00294071/step Wall: 10467.4, 0.00294071/step, 1.21141 hours remaining, 208.535156 MB of memory in use. ENERGY: 3517000 785.2077 2101.9665 1946.1536 133.7493 -206153.4024 17808.8198 0.0000 0.0000 34110.2463 -149267.2593 297.8933 -183377.5056 -149170.4304 299.3059 -85.5804 -54.3230 558773.4799 -0.8688 -0.8853 PRESSURE: 3517200 38.7124 -16.722 -116.726 -16.7219 178.09 -238.871 -116.726 -238.871 35.1484 GPRESSURE: 3517200 49.1333 34.8908 -148.277 23.686 255.668 -189.618 3.28311 -215.32 43.5641 PRESSAVG: 3517200 9.24246 38.9367 -7.1174 38.9367 -19.4644 -24.6949 -7.11742 -24.6949 15.9789 GPRESSAVG: 3517200 10.4104 41.0941 -8.02568 37.4113 -19.73 -23.2684 -5.43908 -24.4129 15.2822 TIMING: 3517200 CPU: 10467.9, 0.0029315/step Wall: 10467.9, 0.0029315/step, 1.20745 hours remaining, 208.535156 MB of memory in use. ENERGY: 3517200 710.8394 2082.7683 1966.2696 111.4661 -206224.0311 17757.4057 0.0000 0.0000 34158.4325 -149436.8494 298.3141 -183595.2820 -149340.5933 299.5940 83.9836 116.1219 557829.8789 1.9190 1.9875 PRESSURE: 3517400 -159.609 63.1968 97.6019 63.1975 -55.1312 49.644 97.6019 49.6444 -305.98 GPRESSURE: 3517400 -152.647 87.0162 161.083 8.85704 -9.38254 -11.6867 85.9436 126.683 -266.029 PRESSAVG: 3517400 -31.5784 16.6434 -2.52868 16.6435 -19.5421 11.5153 -2.52872 11.5153 12.3159 GPRESSAVG: 3517400 -32.8779 15.7897 -1.7952 18.1197 -19.8698 11.2594 -3.47842 9.50347 14.4979 TIMING: 3517400 CPU: 10468.5, 0.00294154/step Wall: 10468.5, 0.00294154/step, 1.21142 hours remaining, 208.535156 MB of memory in use. ENERGY: 3517400 751.9882 2083.6314 1948.8625 113.1054 -206339.7610 17725.7795 0.0000 0.0000 34298.5879 -149417.8061 299.5381 -183716.3940 -149320.1732 299.0052 -173.5734 -142.6859 558750.8451 -12.9348 -12.7499 PRESSURE: 3517600 -30.857 46.2966 18.0767 46.2967 -67.1942 -238.941 18.0751 -238.943 8.93311 GPRESSURE: 3517600 -31.1919 -83.8513 55.4704 63.317 -36.101 -178.809 20.1922 -252.207 82.6925 PRESSAVG: 3517600 18.9423 -12.5328 1.68735 -12.5328 63.979 -52.6128 1.6873 -52.6129 -30.4372 GPRESSAVG: 3517600 20.0515 -13.1367 1.64164 -12.1456 64.1168 -50.6539 1.74474 -53.1712 -31.7708 TIMING: 3517600 CPU: 10469.1, 0.00291318/step Wall: 10469.1, 0.00291318/step, 1.19958 hours remaining, 208.535156 MB of memory in use. ENERGY: 3517600 729.5307 2126.6898 1925.9308 123.6934 -206250.5078 17733.2963 0.0000 0.0000 34100.8000 -149510.5669 297.8108 -183611.3669 -149413.1079 298.3767 -29.7060 5.1332 557346.1217 17.4947 17.4658 PRESSURE: 3517800 -187.264 4.25075 95.225 4.25067 -103.094 -151.898 95.225 -151.898 42.0887 GPRESSURE: 3517800 -135.336 -63.7035 103.332 21.2117 -65.346 -158.307 0.453681 26.9483 30.2905 PRESSAVG: 3517800 -12.3187 15.9623 51.3051 15.9622 9.98894 -19.1957 51.3052 -19.1956 15.6106 GPRESSAVG: 3517800 -11.3755 17.6775 52.594 13.6837 9.90294 -19.2129 50.9687 -18.5628 14.2558 TIMING: 3517800 CPU: 10469.7, 0.0029345/step Wall: 10469.7, 0.0029345/step, 1.2082 hours remaining, 208.535156 MB of memory in use. ENERGY: 3517800 716.2794 2071.6277 1951.5294 108.7170 -206442.5195 17604.0456 0.0000 0.0000 34329.3315 -149660.9889 299.8066 -183990.3204 -149566.3243 298.4716 -82.7564 -56.7972 556987.1685 4.4270 4.2611 PRESSURE: 3518000 -7.95136 67.9864 192.106 67.9865 227.594 92.329 192.107 92.3297 -45.3269 GPRESSURE: 3518000 46.621 4.32945 233.686 95.9684 203.613 106.605 176.363 110.158 19.7501 PRESSAVG: 3518000 -21.0018 15.6348 67.1795 15.6347 44.2208 -2.96847 67.1795 -2.96844 -36.5798 GPRESSAVG: 3518000 -23.287 14.6749 65.8762 19.2672 44.0769 -5.11424 66.2991 -1.51847 -34.6928 TIMING: 3518000 CPU: 10470.3, 0.00290794/step Wall: 10470.3, 0.00290794/step, 1.1971 hours remaining, 208.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3518000 746.2429 2117.1995 1905.0190 115.2936 -206566.4011 17983.9857 0.0000 0.0000 34221.4106 -149477.2499 298.8641 -183698.6605 -149381.7750 298.3176 58.1051 89.9947 557220.3994 -4.4536 -4.6343 PRESSURE: 3518200 203.691 127.624 33.8679 127.625 -94.4539 -11.4786 33.8671 -11.4783 -135.503 GPRESSURE: 3518200 175.203 91.3634 -47.8108 74.1401 -24.0763 17.0328 127.246 -33.3702 -78.9171 PRESSAVG: 3518200 -30.5907 1.97665 31.9728 1.97665 48.5032 40.0663 31.9728 40.0664 -36.5168 GPRESSAVG: 3518200 -30.7091 0.690429 30.7479 1.51399 48.9864 39.6699 32.5576 39.6984 -37.2214 TIMING: 3518200 CPU: 10470.9, 0.00292731/step Wall: 10470.9, 0.00292731/step, 1.20491 hours remaining, 208.535156 MB of memory in use. ENERGY: 3518200 747.1199 2074.3149 1940.2548 115.1177 -206731.3078 18078.2907 0.0000 0.0000 34182.5832 -149593.6266 298.5250 -183776.2098 -149491.9710 297.8499 -8.7555 24.0700 558496.9989 -6.2014 -6.3147 PRESSURE: 3518400 -29.646 -54.4276 72.8523 -54.4272 17.5638 112.613 72.8527 112.613 -140.674 GPRESSURE: 3518400 45.1906 -126.187 92.3573 -47.2245 57.2842 119.123 63.584 102.956 -160.302 PRESSAVG: 3518400 53.4877 70.0394 12.1152 70.0394 -38.1807 1.66674 12.1152 1.66676 -28.0353 GPRESSAVG: 3518400 53.7632 70.1491 12.6947 68.3786 -38.8466 2.50686 12.0411 0.787615 -27.8564 TIMING: 3518400 CPU: 10471.5, 0.00291622/step Wall: 10471.5, 0.00291622/step, 1.20019 hours remaining, 208.535156 MB of memory in use. ENERGY: 3518400 707.7579 2098.5553 1912.6638 111.7080 -206324.0835 17730.4909 0.0000 0.0000 34139.9685 -149622.9392 298.1528 -183762.9077 -149521.6168 297.3511 -50.9189 -19.2756 556580.0255 -4.2428 -4.3133 PRESSURE: 3518600 -118.823 -6.21667 -79.6101 -6.21684 -405.748 58.1493 -79.6102 58.1475 -190.948 GPRESSURE: 3518600 -64.1571 -63.1719 -51.4434 47.1189 -367.393 -15.7148 -34.3856 25.7662 -180.264 PRESSAVG: 3518600 -56.6684 -42.1574 58.3368 -42.1573 61.3464 38.2027 58.3369 38.2026 -15.9201 GPRESSAVG: 3518600 -56.409 -40.4832 60.2688 -43.0413 60.6401 39.227 58.6337 38.2824 -15.6229 TIMING: 3518600 CPU: 10472, 0.00291126/step Wall: 10472, 0.00291126/step, 1.19799 hours remaining, 208.535156 MB of memory in use. ENERGY: 3518600 734.4432 2072.0956 1942.1237 110.9345 -206449.9217 17610.7191 0.0000 0.0000 34267.3198 -149712.2859 299.2650 -183979.6057 -149622.5993 298.1146 -238.5065 -203.9379 558244.5309 -3.7474 -3.7973 PRESSURE: 3518800 495.173 -5.84248 161.406 -5.8406 125.439 -198.511 161.407 -198.511 268.716 GPRESSURE: 3518800 544.314 -20.9268 121.752 -7.9504 200.683 -247.447 155.452 -200.953 252.39 PRESSAVG: 3518800 -37.6681 -19.8005 -9.2615 -19.8005 14.4752 -1.45617 -9.26151 -1.4561 5.73064 GPRESSAVG: 3518800 -38.9587 -20.312 -10.2968 -18.9449 15.4759 -4.08604 -9.92388 -0.932817 5.144 TIMING: 3518800 CPU: 10472.6, 0.00295311/step Wall: 10472.6, 0.00295311/step, 1.21504 hours remaining, 208.535156 MB of memory in use. ENERGY: 3518800 703.4430 2077.6643 1938.7486 116.2590 -207027.2649 18421.8201 0.0000 0.0000 34148.5738 -149620.7561 298.2280 -183769.3298 -149519.4207 297.9117 296.4427 332.4626 555744.2752 -5.8208 -6.1129 PRESSURE: 3519000 -189.108 -37.7438 -238.755 -37.7451 -69.3888 44.4414 -238.754 44.442 161.286 GPRESSURE: 3519000 -157.355 -2.34216 -243.321 22.3432 -33.8322 2.77652 -106.206 90.6779 191.318 PRESSAVG: 3519000 -27.3545 6.63936 -16.5382 6.63929 31.3543 -55.3695 -16.5382 -55.3695 9.79342 GPRESSAVG: 3519000 -26.7712 5.23259 -17.5176 9.40658 30.6012 -53.3186 -14.3467 -56.0888 10.143 TIMING: 3519000 CPU: 10473.2, 0.00295456/step Wall: 10473.2, 0.00295456/step, 1.21547 hours remaining, 208.535156 MB of memory in use. ENERGY: 3519000 762.7924 2086.3110 1948.5627 131.8898 -206697.8881 17934.4646 0.0000 0.0000 34227.6270 -149606.2406 298.9184 -183833.8676 -149515.3357 298.6537 -32.4036 0.0435 556697.5134 4.5977 4.6577 PRESSURE: 3519200 -75.3793 -139.753 -17.1801 -139.753 -135.396 -49.6667 -17.1809 -49.6674 -144.21 GPRESSURE: 3519200 -52.3082 -161.441 -77.0162 -80.8265 -44.8088 22.9682 5.63037 -95.9195 -152.604 PRESSAVG: 3519200 -14.7112 -18.1653 -61.3216 -18.1653 27.3213 9.34781 -61.3215 9.34778 -35.7417 GPRESSAVG: 3519200 -14.1554 -15.8174 -61.5869 -20.4676 27.1226 8.6286 -63.0812 9.99047 -35.8857 TIMING: 3519200 CPU: 10473.8, 0.00296462/step Wall: 10473.8, 0.00296462/step, 1.21945 hours remaining, 208.535156 MB of memory in use. ENERGY: 3519200 749.3328 2013.8373 1920.4011 99.5058 -206121.5320 17536.3545 0.0000 0.0000 34316.7153 -149485.3851 299.6964 -183802.1004 -149384.5752 298.5106 -118.3284 -83.2405 556735.6537 -7.7105 -7.6395 PRESSURE: 3519400 166.318 17.3075 -75.7822 17.3087 -68.7715 53.7899 -75.7831 53.7894 -30.2281 GPRESSURE: 3519400 160.583 52.5208 25.2759 -1.27245 -40.9017 -72.6337 -79.4708 218.848 40.0565 PRESSAVG: 3519400 -5.52831 -46.0876 -0.811567 -46.0876 16.3824 -48.2549 -0.811614 -48.2548 0.881032 GPRESSAVG: 3519400 -5.27001 -46.7726 0.509616 -47.6346 17.1517 -49.0794 -0.0905168 -47.2277 0.465792 TIMING: 3519400 CPU: 10474.4, 0.00295326/step Wall: 10474.4, 0.00295326/step, 1.21461 hours remaining, 208.535156 MB of memory in use. ENERGY: 3519400 763.7944 2074.7767 1941.2604 122.9154 -206304.6839 17795.8111 0.0000 0.0000 34023.7653 -149582.3605 297.1380 -183606.1259 -149494.0574 298.1867 22.4395 53.2460 555953.2157 3.9117 4.1158 PRESSURE: 3519600 76.2362 119.805 -119.57 119.806 -194.246 -131.12 -119.57 -131.12 49.1786 GPRESSURE: 3519600 61.4813 148.622 -46.8416 150.809 -108.636 -76.3546 -72.2681 -37.0398 82.16 PRESSAVG: 3519600 -43.6627 23.3521 -5.07022 23.3522 -1.2826 45.4552 -5.0701 45.4552 57.2839 GPRESSAVG: 3519600 -42.3327 23.6566 -4.09121 24.2876 -2.32075 45.9809 -5.52414 45.5537 56.7486 TIMING: 3519600 CPU: 10475, 0.00292939/step Wall: 10475, 0.00292939/step, 1.20463 hours remaining, 208.535156 MB of memory in use. ENERGY: 3519600 764.4308 2033.2650 1937.3274 110.8819 -206061.9246 17781.9089 0.0000 0.0000 34292.7529 -149141.3577 299.4871 -183434.1105 -149048.5241 298.7354 -22.9437 11.6685 556730.5250 4.1129 4.0317 PRESSURE: 3519800 22.8577 -18.5857 -80.7398 -18.5847 -27.0062 -38.7404 -80.7411 -38.7395 41.992 GPRESSURE: 3519800 29.2718 -27.9567 -13.1428 27.7547 47.1133 -49.4541 -81.2223 -7.97114 52.3868 PRESSAVG: 3519800 -24.2171 -29.6911 -21.3011 -29.6912 -1.16386 9.76799 -21.3012 9.76797 56.977 GPRESSAVG: 3519800 -26.0657 -29.9423 -20.0044 -29.3367 -0.544867 8.72318 -23.5435 9.54129 58.195 TIMING: 3519800 CPU: 10475.6, 0.00293923/step Wall: 10475.6, 0.00293923/step, 1.20851 hours remaining, 208.535156 MB of memory in use. ENERGY: 3519800 721.1142 2096.4087 1954.8747 125.7977 -206094.9477 17743.6940 0.0000 0.0000 34204.8111 -149248.2472 298.7191 -183453.0584 -149154.1571 299.6627 12.6145 42.9240 557866.0099 10.5320 10.5282 PRESSURE: 3520000 392.852 16.3379 -157.093 16.3389 150.707 -206.346 -157.093 -206.346 221.161 GPRESSURE: 3520000 461.375 -20.5663 -103.519 -16.5822 141.755 -213.162 -106.885 -126.717 255.043 PRESSAVG: 3520000 -21.183 15.2766 -17.5944 15.2766 -29.6248 -21.1622 -17.5944 -21.1623 40.9383 GPRESSAVG: 3520000 -20.6338 13.6439 -21.0179 15.8129 -29.6827 -19.8824 -14.7002 -21.2184 40.3944 TIMING: 3520000 CPU: 10476.2, 0.00292312/step Wall: 10476.2, 0.00292312/step, 1.20173 hours remaining, 208.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3520000 690.8389 2091.4920 1914.9670 119.6439 -206289.6103 18009.5540 0.0000 0.0000 34323.3053 -149139.8092 299.7540 -183463.1145 -149042.5301 299.2555 254.9068 286.0580 557207.3938 -3.2898 -3.3074 PRESSURE: 3520200 -5.61057 41.3435 -33.4089 41.3444 172.755 -168.762 -33.4085 -168.762 260.278 GPRESSURE: 3520200 -8.42342 110.129 -21.2531 15.607 226.777 -130.566 -56.6352 -184.493 306.37 PRESSAVG: 3520200 -5.54471 -10.9893 -61.6374 -10.9894 -40.1436 -10.3593 -61.6375 -10.3592 53.1765 GPRESSAVG: 3520200 -5.99146 -9.53581 -60.7293 -11.3721 -39.7878 -9.71307 -63.271 -10.4934 53.1616 TIMING: 3520200 CPU: 10476.7, 0.00294531/step Wall: 10476.7, 0.00294531/step, 1.21069 hours remaining, 208.535156 MB of memory in use. ENERGY: 3520200 740.7863 2071.3632 1925.0820 107.8917 -206157.7080 18025.0956 0.0000 0.0000 34175.7982 -149111.6911 298.4657 -183287.4893 -149015.2355 299.1857 142.4741 174.9077 558624.4328 2.4961 2.4608 LDB: ============= START OF LOAD BALANCING ============== 10480.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10480.3 LDB: =============== DONE WITH MIGRATION ================ 10480.3 LDB: ============= START OF LOAD BALANCING ============== 10480.6 LDB: Largest compute 4772 load 0.025187 is 21.3% of average load 0.118244 LDB: Average compute 0.001726 is 1.5% of average load 0.118244 LDB: TIME 10480.6 LOAD: AVG 0.118244 MAX 0.197302 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.055 MB LDB: TIME 10480.6 LOAD: AVG 0.118244 MAX 0.197303 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.055 MB LDB: TIME 10480.6 LOAD: AVG 0.118244 MAX 0.197303 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10480.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10480.6 PRESSURE: 3520400 62.6135 35.5907 12.2048 35.5903 238.468 5.89268 12.2053 5.89207 -78.5434 GPRESSURE: 3520400 110.664 77.9547 27.7701 76.0976 231.383 101.845 -27.6218 -52.5341 -40.7898 PRESSAVG: 3520400 -16.6575 -47.8006 -44.5967 -47.8007 31.4175 -7.80616 -44.5967 -7.80621 -15.3361 GPRESSAVG: 3520400 -15.8239 -48.6751 -43.856 -47.2326 31.593 -6.71698 -44.6762 -9.29767 -16.0594 TIMING: 3520400 CPU: 10477.3, 0.0029895/step Wall: 10477.3, 0.00298951/step, 1.22869 hours remaining, 206.542969 MB of memory in use. ENERGY: 3520400 720.5818 2067.9741 1949.1186 119.9137 -206421.1788 18074.6462 0.0000 0.0000 34213.5314 -149275.4129 298.7953 -183488.9443 -149170.1789 298.8038 74.1793 100.4192 558504.1463 -0.1920 -0.0968 PRESSURE: 3520600 -240.236 11.5436 -13.2741 11.5442 35.4388 -70.9055 -13.2725 -70.9057 -118.732 GPRESSURE: 3520600 -249.536 35.4454 -45.0074 105.059 73.8016 -51.0043 -16.7615 -46.3244 -51.2433 PRESSAVG: 3520600 -5.74383 -8.70625 -42.1834 -8.7062 35.7946 -25.9568 -42.1833 -25.9568 -1.62062 GPRESSAVG: 3520600 -4.99704 -8.84716 -43.1804 -10.3266 35.2251 -25.3598 -41.5344 -26.4206 -1.30918 TIMING: 3520600 CPU: 10477.9, 0.00298405/step Wall: 10477.9, 0.00298405/step, 1.22628 hours remaining, 206.542969 MB of memory in use. ENERGY: 3520600 764.0813 2056.0219 1936.1817 112.0172 -206108.0870 17710.5403 0.0000 0.0000 34430.4742 -149098.7704 300.6899 -183529.2446 -148994.6294 299.9077 -107.8429 -75.6593 558173.2774 9.4767 9.6396 PRESSURE: 3520800 -125.276 -75.6579 -54.2522 -75.6578 -281.663 -35.3211 -54.2525 -35.3206 -91.1055 GPRESSURE: 3520800 -106.823 -142.05 -44.4411 -71.0367 -235.563 -23.8791 12.2296 -97.7161 -50.3899 PRESSAVG: 3520800 31.7414 -42.36 -16.0881 -42.36 -4.30537 24.5212 -16.0881 24.5212 -25.1655 GPRESSAVG: 3520800 32.2854 -39.4852 -14.4365 -43.7947 -5.53633 23.6978 -18.2276 23.662 -24.6285 TIMING: 3520800 CPU: 10478.5, 0.00294489/step Wall: 10478.5, 0.00294489/step, 1.21002 hours remaining, 206.542969 MB of memory in use. ENERGY: 3520800 737.3204 2112.4007 1949.1992 103.5711 -205953.8026 17683.4883 0.0000 0.0000 34325.2633 -149042.5596 299.7711 -183367.8229 -148948.2850 298.9230 -166.0149 -130.9253 560672.0820 0.7568 0.7069 PRESSURE: 3521000 127.482 2.81074 -69.1811 2.81097 -91.7416 -20.8864 -69.1805 -20.8854 129.984 GPRESSURE: 3521000 172.338 2.38024 26.2726 15.4862 -31.6399 -62.0747 -85.5215 22.172 120.676 PRESSAVG: 3521000 49.2933 -38.7952 -1.44906 -38.7953 -20.0563 -29.6498 -1.44905 -29.65 15.0046 GPRESSAVG: 3521000 48.6413 -42.6612 -3.14996 -36.9823 -20.2909 -30.548 1.27854 -28.2996 15.975 TIMING: 3521000 CPU: 10479.1, 0.00294701/step Wall: 10479.1, 0.00294701/step, 1.21073 hours remaining, 206.542969 MB of memory in use. ENERGY: 3521000 750.8928 2130.8915 1924.5412 117.5192 -206303.4508 18015.8909 0.0000 0.0000 34292.4390 -149071.2762 299.4844 -183363.7152 -148976.5463 300.2701 55.2417 87.1245 558835.0674 14.7472 14.7751 PRESSURE: 3521200 208.141 -99.5852 -81.3643 -99.5845 34.61 -251.368 -81.3652 -251.369 42.9918 GPRESSURE: 3521200 229.879 -91.897 -81.6415 -76.5788 35.2205 -226.467 -141.911 -214.063 99.389 PRESSAVG: 3521200 52.5603 0.306614 -39.6922 0.306635 -85.0552 -27.9683 -39.6922 -27.9683 -6.05357 GPRESSAVG: 3521200 52.6407 1.49168 -38.7697 0.985461 -83.4288 -27.2894 -39.9988 -26.8426 -8.06073 TIMING: 3521200 CPU: 10479.7, 0.0029763/step Wall: 10479.7, 0.0029763/step, 1.2226 hours remaining, 206.542969 MB of memory in use. ENERGY: 3521200 727.2267 2082.7902 1950.0211 122.9763 -206274.3630 17976.2245 0.0000 0.0000 34218.6989 -149196.4255 298.8404 -183415.1244 -149101.9787 300.2132 95.2474 121.4961 559412.8139 -12.8495 -12.9496 PRESSURE: 3521400 -309.368 -148.606 -266.373 -148.605 -95.9874 -195.066 -266.373 -195.065 -177.979 GPRESSURE: 3521400 -254.643 -121.907 -240.529 -79.1362 -100.924 -203.159 -220.406 -169.105 -133.517 PRESSAVG: 3521400 48.6314 -44.6877 -39.3609 -44.6878 24.1785 -16.2797 -39.3609 -16.2797 -33.7086 GPRESSAVG: 3521400 49.1113 -43.3514 -39.2259 -46.1634 21.9535 -18.4401 -40.2134 -16.1713 -31.5714 TIMING: 3521400 CPU: 10480.3, 0.00293449/step Wall: 10480.3, 0.00293449/step, 1.20526 hours remaining, 206.542969 MB of memory in use. ENERGY: 3521400 811.5559 2102.5530 1923.9526 114.5352 -206214.9300 17713.6238 0.0000 0.0000 34359.1212 -149189.5883 300.0668 -183548.7095 -149088.6846 300.0776 -194.4447 -163.0284 558502.4190 13.0337 13.1644 PRESSURE: 3521600 -96.0192 23.3533 236.207 23.3543 -231.247 -26.1279 236.207 -26.1267 -5.41412 GPRESSURE: 3521600 -136.119 81.1478 299.592 12.4489 -148.941 -73.6753 139.529 34.4624 63.9566 PRESSAVG: 3521600 48.8492 -61.0786 16.0098 -61.0786 -18.2822 14.4531 16.0098 14.4531 -18.8978 GPRESSAVG: 3521600 47.6256 -61.11 13.1744 -61.8058 -16.1671 17.0555 17.2567 13.7219 -19.6593 TIMING: 3521600 CPU: 10480.9, 0.00297242/step Wall: 10480.9, 0.00297242/step, 1.22067 hours remaining, 206.542969 MB of memory in use. ENERGY: 3521600 757.0401 2092.8622 1949.0705 102.9321 -206283.9594 17743.9790 0.0000 0.0000 34213.8160 -149424.2595 298.7978 -183638.0754 -149331.9590 299.3441 -110.8936 -73.7012 558014.7255 3.8897 3.9331 PRESSURE: 3521800 130.183 -93.6189 -90.6254 -93.6198 117.985 -61.8126 -90.6255 -61.8125 -158.554 GPRESSURE: 3521800 185.971 -73.607 -84.1023 -90.2449 108.483 -24.5112 -82.2949 -23.5059 -114.639 PRESSAVG: 3521800 16.6252 -36.3045 -16.5468 -36.3043 -32.713 -7.87997 -16.5468 -7.87999 7.11102 GPRESSAVG: 3521800 17.2759 -35.4258 -13.9464 -36.858 -33.5287 -9.60005 -18.342 -6.07535 7.18591 TIMING: 3521800 CPU: 10481.5, 0.00294896/step Wall: 10481.5, 0.00294896/step, 1.21087 hours remaining, 206.542969 MB of memory in use. ENERGY: 3521800 781.2293 2053.9596 1945.5558 113.1323 -206649.7393 17909.5597 0.0000 0.0000 34441.8064 -149404.4962 300.7889 -183846.3026 -149302.6319 299.9801 29.8712 59.9387 555912.4168 -2.9922 -3.0223 PRESSURE: 3522000 185.847 -62.0528 26.0446 -62.0534 -75.8903 -101.024 26.0466 -101.023 146.718 GPRESSURE: 3522000 182.685 -24.7583 94.3722 -90.2066 15.3582 -139.764 -17.9385 -59.6417 158.369 PRESSAVG: 3522000 -46.7473 -73.3565 21.1707 -73.3566 5.57881 -49.479 21.1707 -49.479 -6.33418 GPRESSAVG: 3522000 -47.5458 -73.8395 20.1421 -71.666 6.01563 -48.872 21.1175 -49.1892 -5.80887 TIMING: 3522000 CPU: 10482.1, 0.00295535/step Wall: 10482.1, 0.00295535/step, 1.21334 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3522000 759.2912 2098.8385 1934.5209 114.7612 -206603.0070 18091.0972 0.0000 0.0000 34041.4525 -149563.0455 297.2925 -183604.4980 -149468.1339 298.5390 85.5581 118.8041 557591.9085 -15.8342 -15.7797 PRESSURE: 3522200 -336.856 193.728 4.81505 193.728 -98.5703 -36.0353 4.81618 -36.0354 19.1681 GPRESSURE: 3522200 -288.034 121.048 -34.2977 202.133 -52.4419 -58.3188 -44.6891 -79.3211 9.61768 PRESSAVG: 3522200 -54.5306 -16.9141 -17.5611 -16.9141 57.1262 5.29966 -17.5611 5.29967 16.6576 GPRESSAVG: 3522200 -53.5887 -19.203 -17.7971 -16.6069 57.5358 5.24914 -17.0207 3.37689 15.738 TIMING: 3522200 CPU: 10482.7, 0.00297708/step Wall: 10482.7, 0.00297708/step, 1.22209 hours remaining, 206.542969 MB of memory in use. ENERGY: 3522200 786.7350 2003.2864 1940.7758 113.8994 -206352.3292 17815.5471 0.0000 0.0000 34061.6587 -149630.4269 297.4689 -183692.0855 -149525.0610 297.7275 -138.7528 -110.2860 556350.9351 6.4177 6.5617 PRESSURE: 3522400 -2.38928 4.07365 -64.5035 4.07493 118.643 117.439 -64.5035 117.44 50.5778 GPRESSURE: 3522400 88.2438 -14.9285 -97.3195 -34.8229 128.185 -23.452 -54.3479 123.713 41.4638 PRESSAVG: 3522400 -31.3684 23.053 -50.8085 23.0529 37.8815 -16.9535 -50.8084 -16.9534 -31.0864 GPRESSAVG: 3522400 -30.836 25.2115 -49.6271 22.7285 36.754 -17.2413 -50.4577 -15.508 -30.5502 TIMING: 3522400 CPU: 10483.3, 0.00299449/step Wall: 10483.3, 0.00299449/step, 1.22907 hours remaining, 206.542969 MB of memory in use. ENERGY: 3522400 732.9450 2075.7241 1981.7110 109.9163 -206809.2239 18080.9308 0.0000 0.0000 34156.5058 -149671.4909 298.2973 -183827.9967 -149572.8451 298.7471 55.6105 85.9642 557489.2502 -8.1911 -8.2107 PRESSURE: 3522600 38.5612 157.812 -96.8822 157.813 -189.069 -15.7751 -96.8831 -15.7752 23.0968 GPRESSURE: 3522600 78.176 73.694 -24.1499 244.26 -138.692 24.6548 -80.8125 -42.8337 26.1959 PRESSAVG: 3522600 -37.129 46.4756 -50.9713 46.4758 44.8539 -32.6982 -50.9713 -32.6984 5.09754 GPRESSAVG: 3522600 -37.1781 45.7849 -50.1678 46.9297 45.0054 -31.6168 -49.5472 -32.6023 4.45754 TIMING: 3522600 CPU: 10483.9, 0.00294856/step Wall: 10483.9, 0.00294856/step, 1.21005 hours remaining, 206.542969 MB of memory in use. ENERGY: 3522600 746.7802 2099.3576 1947.4865 105.9825 -206893.8290 17816.1258 0.0000 0.0000 34403.2935 -149774.8029 300.4525 -184178.0963 -149679.8708 298.3175 -42.4702 -11.4400 555795.1010 4.2741 4.0949 PRESSURE: 3522800 -3.24134 72.9261 69.6725 72.927 -8.15304 -86.9214 69.6712 -86.9219 -101.523 GPRESSURE: 3522800 34.5336 123.317 55.6769 49.8286 14.0063 -114.041 146.495 -72.3165 -69.6702 PRESSAVG: 3522800 30.6325 -16.2507 -16.2029 -16.2506 -13.5118 -9.73695 -16.203 -9.73693 -14.2219 GPRESSAVG: 3522800 30.0359 -15.9825 -17.3534 -16.4922 -14.4707 -12.3393 -16.3932 -10.3224 -12.8165 TIMING: 3522800 CPU: 10484.5, 0.00295689/step Wall: 10484.5, 0.00295689/step, 1.21331 hours remaining, 206.542969 MB of memory in use. ENERGY: 3522800 739.8103 2080.7448 1947.6359 109.6861 -206825.8293 17885.6918 0.0000 0.0000 34385.7653 -149676.4950 300.2994 -184062.2604 -149575.9277 298.9371 -37.6391 -7.0434 556160.9550 0.9663 0.9163 PRESSURE: 3523000 1.35121 164.793 -220.16 164.794 36.9003 -65.004 -220.159 -65.003 -175.489 GPRESSURE: 3523000 75.3554 151.831 -185.823 178.647 49.0394 -55.8309 -268.01 -169.523 -171.044 PRESSAVG: 3523000 2.30477 114.084 16.0744 114.084 26.2684 18.5606 16.0744 18.5607 -7.95858 GPRESSAVG: 3523000 2.28623 114.615 17.4891 114.492 27.9593 19.7208 15.6272 17.1555 -9.1256 TIMING: 3523000 CPU: 10485, 0.00297407/step Wall: 10485, 0.00297407/step, 1.2202 hours remaining, 206.542969 MB of memory in use. ENERGY: 3523000 716.4714 2119.9137 1937.0506 125.7865 -206765.8021 17906.9596 0.0000 0.0000 34257.9252 -149701.6952 299.1830 -183959.6204 -149606.1177 298.9926 -45.7457 -15.5497 557932.3925 6.8715 7.0400 PRESSURE: 3523200 58.717 55.5687 15.7538 55.5682 71.8182 -116.543 15.7522 -116.544 -119.52 GPRESSURE: 3523200 100.686 50.5275 -20.7599 67.1965 84.1749 -149.329 79.8206 -118.552 -73.8899 PRESSAVG: 3523200 25.7217 51.9128 49.2892 51.9129 23.3069 -3.54032 49.2893 -3.54033 -38.9817 GPRESSAVG: 3523200 25.7313 51.5227 47.6396 52.9784 22.2348 -1.96917 49.0268 -3.474 -37.8755 TIMING: 3523200 CPU: 10485.6, 0.00295995/step Wall: 10485.6, 0.00295995/step, 1.21424 hours remaining, 206.542969 MB of memory in use. ENERGY: 3523200 755.7929 2038.6618 1928.0811 105.5671 -206489.1487 17994.2173 0.0000 0.0000 34077.3967 -149589.4319 297.6064 -183666.8286 -149499.3929 298.9519 3.6716 36.9904 558544.8602 3.3490 3.3635 PRESSURE: 3523400 -282.046 -181.821 40.9495 -181.821 -75.6162 -10.2562 40.949 -10.2561 -11.1961 GPRESSURE: 3523400 -266.282 -158.093 59.707 -122.739 -35.6828 88.0221 77.0719 -59.856 41.2749 PRESSAVG: 3523400 27.5251 40.7622 -5.53765 40.7623 -3.22395 27.1208 -5.53767 27.1208 -15.1894 GPRESSAVG: 3523400 27.692 40.5581 -5.12778 40.2125 -3.1255 26.8493 -5.39822 29.2321 -15.1037 TIMING: 3523400 CPU: 10486.2, 0.00297385/step Wall: 10486.2, 0.00297385/step, 1.21977 hours remaining, 206.542969 MB of memory in use. ENERGY: 3523400 751.4736 2066.2954 1937.9449 108.8244 -206139.5453 17753.4886 0.0000 0.0000 34128.1217 -149393.3967 298.0494 -183521.5183 -149295.7172 298.2914 -122.9526 -86.8967 559159.8556 3.0373 3.1543 PRESSURE: 3523600 104.048 8.2573 -53.5945 8.2568 -64.3069 95.4137 -53.5933 95.4147 -206.34 GPRESSURE: 3523600 111.56 30.5462 79.2387 116.474 -29.1981 9.28148 -68.5951 68.049 -159.773 PRESSAVG: 3523600 -18.5642 -11.6076 15.7646 -11.6076 -35.822 -19.5903 15.7647 -19.5902 0.973707 GPRESSAVG: 3523600 -19.9358 -12.0752 17.1321 -12.7088 -34.5514 -19.4557 15.8294 -22.0321 1.47755 TIMING: 3523600 CPU: 10486.8, 0.00295165/step Wall: 10486.8, 0.00295165/step, 1.2105 hours remaining, 206.542969 MB of memory in use. ENERGY: 3523600 741.4661 2129.2029 1938.8958 113.1541 -206180.6065 17735.2676 0.0000 0.0000 34286.4888 -149236.1310 299.4324 -183522.6198 -149145.9782 298.9848 -55.5330 -25.8039 558098.0902 -17.8042 -17.6699 PRESSURE: 3523800 -84.3467 85.9741 166.495 85.9742 -105.873 29.6677 166.495 29.6681 -185.845 GPRESSURE: 3523800 -69.6667 -26.1298 172.382 57.0286 -50.2836 89.6813 115.435 -38.3897 -163.792 PRESSAVG: 3523800 -23.9848 -15.0713 -20.358 -15.0713 81.0857 -35.8474 -20.3579 -35.8474 2.16796 GPRESSAVG: 3523800 -22.2847 -15.515 -22.014 -15.3923 80.7817 -33.8541 -19.9179 -36.9455 1.06184 TIMING: 3523800 CPU: 10487.4, 0.00295497/step Wall: 10487.4, 0.00295497/step, 1.2117 hours remaining, 206.542969 MB of memory in use. ENERGY: 3523800 752.3921 2151.7854 1942.1854 100.8670 -205957.0523 17646.0121 0.0000 0.0000 34104.6144 -149259.1958 297.8441 -183363.8103 -149162.5054 299.5437 -125.3547 -94.5806 557327.1115 19.7563 19.8529 PRESSURE: 3524000 -167.244 128.368 -18.0375 128.368 -172.918 79.3917 -18.0386 79.3905 -79.8734 GPRESSURE: 3524000 -187.997 191.163 46.6458 65.5283 -77.4274 35.6476 40.0858 230.655 -59.9425 PRESSAVG: 3524000 -18.3634 -62.7612 -44.4963 -62.7612 45.2314 -12.0915 -44.4963 -12.0916 15.3279 GPRESSAVG: 3524000 -17.006 -61.3273 -44.2478 -62.8386 45.3182 -13.5776 -42.6722 -9.2256 13.9275 TIMING: 3524000 CPU: 10488, 0.00297839/step Wall: 10488, 0.00297839/step, 1.22114 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3524000 737.4166 2110.2681 1932.2892 118.2039 -206006.3419 17525.0837 0.0000 0.0000 34150.4104 -149432.6698 298.2440 -183583.0802 -149331.1640 299.3180 -140.0118 -108.4556 556452.8880 14.0653 14.0799 PRESSURE: 3524200 186.416 18.027 -156.652 18.0273 13.0439 152.161 -156.653 152.16 -263.582 GPRESSURE: 3524200 221.117 91.0131 -158.288 -5.53517 85.8655 75.5878 -109.781 257.803 -262.536 PRESSAVG: 3524200 -9.79786 5.22844 4.65481 5.22838 -3.5425 34.5507 4.65481 34.5507 9.355 GPRESSAVG: 3524200 -11.1277 4.10789 3.54868 6.89092 -3.7851 34.8043 2.78023 32.3316 11.0762 TIMING: 3524200 CPU: 10488.6, 0.00294973/step Wall: 10488.6, 0.00294973/step, 1.20922 hours remaining, 206.542969 MB of memory in use. ENERGY: 3524200 721.7613 2062.8728 1959.1178 95.6988 -206263.8920 17740.6632 0.0000 0.0000 34180.3089 -149503.4691 298.5051 -183683.7780 -149405.2733 298.3919 -21.3742 14.8153 556467.3412 -1.3285 -1.2789 LDB: ============= START OF LOAD BALANCING ============== 10492.1 LDB: ============== END OF LOAD BALANCING =============== 10492.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10492.1 LDB: ============= START OF LOAD BALANCING ============== 10492.4 LDB: Largest compute 4802 load 0.025271 is 21.4% of average load 0.118167 LDB: Average compute 0.001736 is 1.5% of average load 0.118167 LDB: TIME 10492.4 LOAD: AVG 0.118167 MAX 0.195035 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.312 MB LDB: TIME 10492.4 LOAD: AVG 0.118167 MAX 0.195035 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.371 MB LDB: TIME 10492.4 LOAD: AVG 0.118167 MAX 0.195035 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.371 MB LDB: ============== END OF LOAD BALANCING =============== 10492.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10492.5 PRESSURE: 3524400 51.2274 132.813 -28.4767 132.812 -195.66 122.879 -28.4779 122.879 -292.065 GPRESSURE: 3524400 53.2775 127.173 -68.5632 111.277 -104.415 132.925 36.4386 57.0558 -294.822 PRESSAVG: 3524400 58.4871 4.47852 -55.0984 4.47858 -4.91086 45.281 -55.0984 45.2809 -6.19819 GPRESSAVG: 3524400 58.213 6.05998 -52.9059 2.87858 -5.14482 45.1307 -54.134 44.9756 -5.84791 TIMING: 3524400 CPU: 10489.2, 0.00299432/step Wall: 10489.2, 0.00299432/step, 1.22734 hours remaining, 207.886719 MB of memory in use. ENERGY: 3524400 751.2253 2118.9033 1915.4255 111.9402 -206011.4612 17518.0308 0.0000 0.0000 34282.4855 -149313.4505 299.3975 -183595.9360 -149218.0269 299.1991 -145.4993 -115.3198 557962.7143 15.7927 15.7401 PRESSURE: 3524600 -92.6526 -1.49743 1.60766 -1.4985 -77.6406 -91.923 1.60651 -91.9229 -281.293 GPRESSURE: 3524600 -83.5466 82.2783 45.55 38.7669 -47.2995 -104.904 -35.4679 18.8022 -217.556 PRESSAVG: 3524600 40.165 -13.0507 21.5734 -13.0507 -0.837659 -5.10044 21.5734 -5.10045 -23.397 GPRESSAVG: 3524600 39.6729 -13.2746 21.4362 -11.9196 -0.88218 -4.74069 19.4278 -4.69297 -22.953 TIMING: 3524600 CPU: 10489.8, 0.00291452/step Wall: 10489.8, 0.00291452/step, 1.19447 hours remaining, 208.089844 MB of memory in use. ENERGY: 3524600 771.4556 2076.4046 1930.6250 106.6621 -206644.8687 17905.1078 0.0000 0.0000 34262.7655 -149591.8482 299.2253 -183854.6136 -149504.8400 298.4662 -150.5286 -116.1339 557278.0912 5.3101 5.2793 PRESSURE: 3524800 -49.7105 -30.9176 170.657 -30.9171 21.5104 -62.057 170.656 -62.0571 -246.717 GPRESSURE: 3524800 -81.9336 26.8585 83.4846 -7.51984 40.8884 -48.3103 218.037 -111.698 -123.555 PRESSAVG: 3524800 4.69383 -14.4343 18.243 -14.4343 21.9957 -33.7385 18.243 -33.7386 -15.4744 GPRESSAVG: 3524800 5.17197 -15.3797 18.1826 -13.6319 21.5367 -36.12 19.418 -31.6563 -15.6365 TIMING: 3524800 CPU: 10490.4, 0.00294243/step Wall: 10490.4, 0.00294243/step, 1.20574 hours remaining, 208.089844 MB of memory in use. ENERGY: 3524800 746.9971 2044.1139 1966.7595 117.9974 -206535.5246 17846.5215 0.0000 0.0000 34453.8826 -149359.2526 300.8943 -183813.1352 -149263.7616 298.9483 -91.6392 -54.8666 558518.1029 3.7384 3.6907 PRESSURE: 3525000 -382.283 -7.64289 133.41 -7.64228 -7.59312 -13.7383 133.41 -13.7402 -280.815 GPRESSURE: 3525000 -390.965 1.75918 102.513 12.5858 16.5261 44.3118 151.573 -46.3872 -194.906 PRESSAVG: 3525000 49.5675 -2.38085 57.4502 -2.38095 -0.526328 -26.002 57.4502 -26.0021 -11.2601 GPRESSAVG: 3525000 49.7482 -1.24496 57.1546 -4.34454 -0.533792 -24.4163 57.2488 -27.1601 -11.6993 TIMING: 3525000 CPU: 10491, 0.00292895/step Wall: 10491, 0.00292895/step, 1.20005 hours remaining, 208.089844 MB of memory in use. ENERGY: 3525000 736.8296 2172.8719 1965.5193 113.6184 -205967.7394 17582.5837 0.0000 0.0000 33972.6466 -149423.6699 296.6916 -183396.3165 -149327.9556 298.7577 -223.5636 -189.7816 558278.6678 12.5937 12.5050 PRESSURE: 3525200 88.5616 -190.33 -42.2449 -190.331 -177.797 125.24 -42.2444 125.24 38.2616 GPRESSURE: 3525200 106.858 -156.172 -4.27639 -156.573 -93.4283 132.536 -102.257 52.8606 26.4103 PRESSAVG: 3525200 31.5212 10.6675 94.3808 10.6675 -30.4065 -44.6475 94.3807 -44.6475 -28.9859 GPRESSAVG: 3525200 31.0276 10.5652 93.9445 11.383 -29.5817 -45.7865 93.869 -44.8713 -29.4898 TIMING: 3525200 CPU: 10491.5, 0.00292478/step Wall: 10491.5, 0.00292478/step, 1.19819 hours remaining, 208.089844 MB of memory in use. ENERGY: 3525200 757.9540 2091.1475 1919.4845 106.6697 -206266.6586 17780.9300 0.0000 0.0000 34266.3384 -149344.1346 299.2565 -183610.4729 -149245.8228 298.5507 -16.9913 13.2799 556171.5931 -9.2904 -9.3480 PRESSURE: 3525400 -66.4447 -24.2954 -55.7678 -24.295 263.854 -121.538 -55.768 -121.537 -63.9273 GPRESSURE: 3525400 23.4962 -35.0532 -147.473 -81.0286 190.36 -151.653 -8.81005 -38.7655 24.5637 PRESSAVG: 3525400 55.1854 -41.8123 4.12388 -41.8122 51.9593 7.40464 4.12384 7.40448 -64.9872 GPRESSAVG: 3525400 54.3992 -42.3563 4.24095 -42.1408 51.6521 7.85042 5.12977 7.7447 -63.8755 TIMING: 3525400 CPU: 10492.1, 0.00292935/step Wall: 10492.1, 0.00292935/step, 1.19989 hours remaining, 208.089844 MB of memory in use. ENERGY: 3525400 714.2191 2061.0190 1946.3510 111.3184 -206676.1138 17953.6916 0.0000 0.0000 34270.2309 -149619.2837 299.2905 -183889.5146 -149526.9720 298.5902 44.4939 79.4733 556331.1930 14.0525 14.0586 PRESSURE: 3525600 56.3193 -21.5947 113.54 -21.5951 308.451 44.3511 113.54 44.3506 119.166 GPRESSURE: 3525600 147.549 51.6768 166.313 -127.013 314.559 -54.1411 100.297 135.843 117.312 PRESSAVG: 3525600 -114.805 -30.2114 23.5995 -30.2113 99.3216 60.4794 23.5996 60.4794 59.9176 GPRESSAVG: 3525600 -113.88 -30.3586 21.8813 -30.4006 99.6457 60.1646 24.0865 61.1368 59.2741 TIMING: 3525600 CPU: 10492.7, 0.00293608/step Wall: 10492.7, 0.00293608/step, 1.20249 hours remaining, 208.089844 MB of memory in use. ENERGY: 3525600 674.8207 2111.3014 1965.8117 124.5157 -206374.8371 17923.3606 0.0000 0.0000 34088.1935 -149486.8335 297.7007 -183575.0270 -149387.8233 298.9071 161.3120 193.1400 556808.0014 14.8115 15.0133 PRESSURE: 3525800 -50.9393 -9.66904 29.84 -9.6692 -113.871 -60.6205 29.8405 -60.6201 16.8938 GPRESSURE: 3525800 -28.6766 6.52452 46.0935 -105.813 -75.0254 73.8457 19.508 -119.121 54.8866 PRESSAVG: 3525800 35.7959 -11.1384 -11.1761 -11.1386 38.649 -19.0951 -11.1761 -19.095 -55.0279 GPRESSAVG: 3525800 35.5895 -9.28284 -11.7176 -11.9517 38.9016 -19.5394 -8.43505 -19.8967 -54.9437 TIMING: 3525800 CPU: 10493.3, 0.00295751/step Wall: 10493.3, 0.00295751/step, 1.2111 hours remaining, 208.089844 MB of memory in use. ENERGY: 3525800 746.9288 2096.3422 1930.4429 115.4372 -206477.0850 17857.2015 0.0000 0.0000 34267.5326 -149463.1998 299.2669 -183730.7324 -149370.7544 298.6370 -49.3057 -16.2718 556974.9403 6.4723 6.5158 PRESSURE: 3526000 89.3597 -123.145 104.252 -123.144 -63.1768 -88.4785 104.252 -88.4774 -164.776 GPRESSURE: 3526000 110.664 -110.644 98.6026 -136.736 3.57122 -22.4365 84.5508 -138.774 -157.158 PRESSAVG: 3526000 56.4407 -7.35323 43.8808 -7.35326 -6.63741 -33.996 43.8807 -33.996 -46.2542 GPRESSAVG: 3526000 56.8323 -9.06325 46.4163 -5.86025 -7.3828 -32.3708 41.6095 -36.9929 -45.282 TIMING: 3526000 CPU: 10493.9, 0.00295052/step Wall: 10493.9, 0.00295052/step, 1.20807 hours remaining, 208.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3526000 730.6241 2107.0851 1913.0991 113.0110 -206061.7871 17603.9746 0.0000 0.0000 34355.1908 -149238.8023 300.0324 -183593.9931 -149147.1362 298.8546 -46.1976 -14.3077 557503.5617 1.1830 1.3891 PRESSURE: 3526200 -294.634 5.89924 89.2074 5.89927 -30.5234 62.089 89.2084 62.0891 -131.937 GPRESSURE: 3526200 -253.932 -40.7946 63.0346 -30.3908 7.73811 84.8209 45.2146 116.716 -123.653 PRESSAVG: 3526200 -34.6795 -32.7969 20.0608 -32.7969 19.4311 -38.742 20.0607 -38.7421 -74.9206 GPRESSAVG: 3526200 -34.2076 -33.0375 19.6693 -31.9026 19.281 -38.5907 20.6746 -37.4637 -75.7493 TIMING: 3526200 CPU: 10494.5, 0.00296594/step Wall: 10494.5, 0.00296594/step, 1.21422 hours remaining, 208.089844 MB of memory in use. ENERGY: 3526200 771.8277 2056.9493 1949.8015 125.1274 -206191.6746 17751.4269 0.0000 0.0000 34196.9122 -149339.6297 298.6501 -183536.5419 -149249.9999 299.3513 -152.3647 -123.2821 558437.9474 -30.0563 -30.2253 PRESSURE: 3526400 -297.022 -142.601 -25.3891 -142.601 -199.995 16.9628 -25.3893 16.9622 -82.3146 GPRESSURE: 3526400 -277.466 -72.5643 3.04463 -174.776 -186.483 34.8316 -19.982 5.67418 -15.8623 PRESSAVG: 3526400 6.35703 -14.0237 -15.1194 -14.0236 49.4351 19.8325 -15.1194 19.8325 13.2965 GPRESSAVG: 3526400 5.56461 -13.7454 -15.444 -14.7094 50.0272 18.7896 -15.2016 21.659 13.0625 TIMING: 3526400 CPU: 10495.1, 0.00297545/step Wall: 10495.1, 0.00297545/step, 1.21795 hours remaining, 208.089844 MB of memory in use. ENERGY: 3526400 745.6777 2050.5568 1949.8225 119.4555 -206181.1770 17631.4401 0.0000 0.0000 34282.6196 -149401.6048 299.3986 -183684.2244 -149307.6936 298.9157 -193.1105 -159.9370 558701.8572 23.0296 22.8848 PRESSURE: 3526600 -259.252 80.0136 -240.585 80.0129 4.83189 -126.238 -240.586 -126.238 -340.597 GPRESSURE: 3526600 -248.924 61.4408 -174.514 54.1038 34.2115 -52.067 -271.951 -144.896 -277.325 PRESSAVG: 3526600 -0.772011 -2.99477 40.5005 -2.99466 5.87233 -16.8607 40.5004 -16.8606 16.3155 GPRESSAVG: 3526600 -0.644223 -0.809828 40.3973 -4.26316 5.05712 -14.5342 40.9231 -18.3151 16.6418 TIMING: 3526600 CPU: 10495.7, 0.00300667/step Wall: 10495.7, 0.00300667/step, 1.23056 hours remaining, 208.089844 MB of memory in use. ENERGY: 3526600 732.8553 2082.0770 1963.6906 127.9678 -206173.3007 17502.0722 0.0000 0.0000 34324.0164 -149440.6213 299.7602 -183764.6377 -149346.3569 299.8931 -198.3390 -164.0124 557405.4738 7.1386 7.0182 PRESSURE: 3526800 -21.755 162.887 74.7295 162.885 -27.0783 53.8162 74.7284 53.8185 -42.7872 GPRESSURE: 3526800 -17.4377 154.822 92.6765 150.962 5.20036 70.4666 38.6471 16.1839 14.9571 PRESSAVG: 3526800 -5.03999 -0.0466816 -2.74302 -0.046751 -3.80403 -33.2106 -2.74315 -33.2106 -6.03226 GPRESSAVG: 3526800 -5.13784 -0.919486 -2.87644 0.104022 -3.62105 -34.0983 -4.99916 -33.9964 -6.36541 TIMING: 3526800 CPU: 10496.3, 0.00301919/step Wall: 10496.3, 0.00301919/step, 1.23552 hours remaining, 208.089844 MB of memory in use. ENERGY: 3526800 764.2333 2047.3631 1938.8527 114.3882 -206323.1851 17713.9928 0.0000 0.0000 34271.9286 -149472.4265 299.3053 -183744.3551 -149383.2706 299.1222 -30.5402 0.9066 556627.0327 -4.9588 -5.0414 PRESSURE: 3527000 -233.301 156.265 45.639 156.265 -77.847 93.4338 45.6387 93.4336 -352.627 GPRESSURE: 3527000 -202.056 41.8371 55.3649 172.27 -86.7833 137.957 91.6589 18.0056 -267.2 PRESSAVG: 3527000 -30.4376 24.8202 -10.3606 24.8202 11.0568 -18.6459 -10.3605 -18.646 -5.2659 GPRESSAVG: 3527000 -30.8354 23.3938 -11.5654 26.4632 11.2393 -18.7865 -7.76561 -17.7038 -5.37193 TIMING: 3527000 CPU: 10496.9, 0.00296618/step Wall: 10496.9, 0.00296618/step, 1.21366 hours remaining, 208.148438 MB of memory in use. ENERGY: 3527000 757.4937 2102.6167 1935.9347 112.7545 -206169.1277 17549.2774 0.0000 0.0000 34305.1377 -149405.9130 299.5953 -183711.0507 -149310.2923 299.2969 -221.2583 -185.3464 558501.7878 -8.2156 -8.3227 PRESSURE: 3527200 235.914 224.245 136.923 224.246 23.0122 119.658 136.924 119.658 -97.9659 GPRESSURE: 3527200 279.403 268.184 119.902 185.66 20.9931 123.574 126.998 158.8 -48.3091 PRESSAVG: 3527200 -19.2914 -9.35251 14.5569 -9.35259 -14.5218 50.7932 14.5569 50.7933 -4.6886 GPRESSAVG: 3527200 -18.4351 -8.97685 17.3089 -9.04401 -15.5934 49.9911 12.276 52.0852 -4.63814 TIMING: 3527200 CPU: 10497.5, 0.00298236/step Wall: 10497.5, 0.00298236/step, 1.22011 hours remaining, 208.148438 MB of memory in use. ENERGY: 3527200 765.1248 2079.2076 1970.4222 108.9760 -206360.4653 17898.2483 0.0000 0.0000 34316.8565 -149221.6299 299.6976 -183538.4864 -149122.8198 298.8626 53.6535 84.0289 557224.7703 -12.8339 -12.8889 PRESSURE: 3527400 66.6073 -140.833 -75.2614 -140.833 340.923 93.1744 -75.261 93.1738 77.9354 GPRESSURE: 3527400 123.744 -171.077 -80.1761 -141.489 387.33 143.888 -1.32461 27.643 58.6562 PRESSAVG: 3527400 2.04664 -17.6564 9.17735 -17.6563 15.493 -5.13758 9.17744 -5.13763 38.7332 GPRESSAVG: 3527400 0.0387827 -15.7076 8.30269 -17.3783 16.6167 -4.04828 9.77004 -7.87248 39.4815 TIMING: 3527400 CPU: 10498.1, 0.00295591/step Wall: 10498.1, 0.00295591/step, 1.20913 hours remaining, 208.148438 MB of memory in use. ENERGY: 3527400 725.8596 2097.6205 1928.2858 118.5460 -206381.5940 18076.2071 0.0000 0.0000 34207.4220 -149227.6531 298.7419 -183435.0752 -149129.4863 299.6489 161.8220 189.9100 557502.6504 18.7576 18.7123 PRESSURE: 3527600 109.727 -117.531 163.963 -117.532 -197.519 -17.5611 163.964 -17.5603 308.099 GPRESSURE: 3527600 77.932 -48.4512 184.758 -158.647 -135.054 -0.99897 83.1654 -28.9329 359.025 PRESSAVG: 3527600 -8.91233 -39.8857 29.2611 -39.8857 -20.8517 8.68548 29.2612 8.68556 22.3024 GPRESSAVG: 3527600 -8.59563 -41.1476 29.6548 -40.0121 -21.8768 8.92815 29.2353 10.5264 22.7469 TIMING: 3527600 CPU: 10498.7, 0.00294513/step Wall: 10498.7, 0.00294513/step, 1.20456 hours remaining, 208.148438 MB of memory in use. ENERGY: 3527600 784.9009 2062.9704 1953.1145 119.6272 -206535.5468 18130.2842 0.0000 0.0000 34230.1366 -149254.5130 298.9403 -183484.6495 -149159.9548 299.1566 73.4359 100.6343 558629.3769 -2.4872 -2.5752 PRESSURE: 3527800 -205.921 104.614 -65.026 104.614 -232.206 41.8096 -65.0249 41.8083 53.6216 GPRESSURE: 3527800 -93.6901 222.611 -106.974 12.1288 -281.4 -16.579 -80.0883 72.5493 97.5415 PRESSAVG: 3527800 23.4786 -11.7839 44.9888 -11.784 -51.8671 9.57654 44.9889 9.57662 33.5209 GPRESSAVG: 3527800 23.991 -13.7645 45.499 -12.1934 -50.1915 8.11179 43.8466 9.80747 31.4939 TIMING: 3527800 CPU: 10499.2, 0.00294043/step Wall: 10499.2, 0.00294043/step, 1.20247 hours remaining, 208.148438 MB of memory in use. ENERGY: 3527800 767.4671 2100.9654 1944.8278 114.3964 -205747.0364 17465.4922 0.0000 0.0000 34023.4298 -149330.4577 297.1351 -183353.8875 -149224.1153 299.1056 -128.1687 -92.5163 558315.2814 1.7108 1.7645 PRESSURE: 3528000 -54.5358 5.69934 -22.5561 5.70026 -151.233 38.1229 -22.5553 38.1232 -65.0047 GPRESSURE: 3528000 -17.276 -61.117 -6.75718 38.5722 -165.791 92.8842 10.6448 5.86724 5.08972 PRESSAVG: 3528000 -35.3746 -4.07056 16.3087 -4.07059 -28.406 22.3576 16.3088 22.3577 23.2281 GPRESSAVG: 3528000 -35.2696 -2.94036 15.2112 -4.85538 -28.8467 21.6195 19.3693 22.9145 23.7631 TIMING: 3528000 CPU: 10499.8, 0.00293116/step Wall: 10499.8, 0.00293116/step, 1.19852 hours remaining, 208.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3528000 728.0888 2118.5392 1921.4223 109.6423 -206276.7256 17694.7578 0.0000 0.0000 34470.9730 -149233.3021 301.0436 -183704.2751 -149141.7576 299.1494 -90.2579 -59.3258 557988.1227 -13.5175 -13.4511 PRESSURE: 3528200 35.9293 -81.0611 93.2763 -81.0614 97.1664 206.66 93.2763 206.66 79.6129 GPRESSURE: 3528200 33.4014 -72.2871 103.639 -202.65 128.153 230.951 103.775 164.748 153.663 PRESSAVG: 3528200 56.5453 15.2267 20.4078 15.2268 -35.4704 -26.6333 20.4078 -26.6334 -29.3837 GPRESSAVG: 3528200 56.1733 15.867 21.6334 15.4289 -35.8161 -27.4589 18.0442 -25.7736 -28.3117 TIMING: 3528200 CPU: 10500.4, 0.0029336/step Wall: 10500.4, 0.0029336/step, 1.19935 hours remaining, 208.148438 MB of memory in use. ENERGY: 3528200 707.3565 2131.1143 1951.0701 125.0449 -206364.2560 17871.1793 0.0000 0.0000 34288.3063 -149290.1847 299.4483 -183578.4910 -149196.6719 299.6090 70.9029 105.0724 557588.1626 -2.7696 -2.6515 LDB: ============= START OF LOAD BALANCING ============== 10504 LDB: ============== END OF LOAD BALANCING =============== 10504 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10504 LDB: ============= START OF LOAD BALANCING ============== 10504.3 LDB: Largest compute 4802 load 0.025220 is 21.3% of average load 0.118236 LDB: Average compute 0.001747 is 1.5% of average load 0.118236 LDB: TIME 10504.3 LOAD: AVG 0.118236 MAX 0.195419 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.074 MB LDB: TIME 10504.3 LOAD: AVG 0.118236 MAX 0.195419 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.117 MB LDB: TIME 10504.3 LOAD: AVG 0.118236 MAX 0.195419 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.117 MB LDB: ============== END OF LOAD BALANCING =============== 10504.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10504.3 PRESSURE: 3528400 157.346 -40.0724 5.319 -40.0738 -173.413 -29.3661 5.31781 -29.3666 163.509 GPRESSURE: 3528400 202.372 -20.2877 -38.7573 -64.5979 -174.235 33.3529 -56.9773 -52.5306 225.743 PRESSAVG: 3528400 59.6119 7.57473 10.5941 7.57466 -86.8225 -22.1622 10.5941 -22.1622 38.5856 GPRESSAVG: 3528400 60.3625 5.572 10.4159 10.2696 -86.5452 -20.1446 9.77753 -25.0541 38.0027 TIMING: 3528400 CPU: 10501, 0.00299237/step Wall: 10501, 0.00299237/step, 1.22322 hours remaining, 207.757812 MB of memory in use. ENERGY: 3528400 734.7141 2072.5626 1941.5308 109.1558 -206312.7692 17851.2785 0.0000 0.0000 34205.7401 -149397.7873 298.7272 -183603.5274 -149305.9427 298.9375 49.1473 84.6265 557064.9978 3.7917 3.9400 PRESSURE: 3528600 6.04045 24.7756 -90.8415 24.7757 -371.195 158.103 -90.8414 158.105 -133.536 GPRESSURE: 3528600 49.291 73.896 -99.9577 -21.6123 -350.84 165.601 -38.1599 142.798 -87.2144 PRESSAVG: 3528600 -19.0821 6.82074 -20.6017 6.82071 -26.1602 3.8037 -20.6017 3.80365 35.9388 GPRESSAVG: 3528600 -19.7449 9.59763 -20.7475 4.35802 -26.7367 4.40553 -19.7403 1.83947 36.4473 TIMING: 3528600 CPU: 10501.6, 0.00293977/step Wall: 10501.6, 0.00293977/step, 1.20155 hours remaining, 207.757812 MB of memory in use. ENERGY: 3528600 759.2744 2094.6505 1951.5771 123.4326 -206378.7780 17866.5716 0.0000 0.0000 34202.1062 -149381.1656 298.6955 -183583.2717 -149278.3483 298.3700 -166.2304 -129.5876 557134.1879 -3.1011 -3.3448 PRESSURE: 3528800 161.147 -16.0781 -183.992 -16.0792 120.495 -201.975 -183.991 -201.975 280.458 GPRESSURE: 3528800 161.245 -48.3715 -191.136 34.2038 243.887 -156.684 -91.8385 -175.332 250.98 PRESSAVG: 3528800 31.3478 -27.595 -53.5346 -27.595 -54.7317 3.7893 -53.5346 3.78922 37.0576 GPRESSAVG: 3528800 31.6737 -28.3193 -54.0268 -25.3132 -54.196 0.535505 -52.2044 8.11924 36.1848 TIMING: 3528800 CPU: 10502.2, 0.00292082/step Wall: 10502.2, 0.00292083/step, 1.19364 hours remaining, 207.757812 MB of memory in use. ENERGY: 3528800 754.2317 2124.9073 1925.1376 96.5287 -206376.5178 18083.5299 0.0000 0.0000 34383.9271 -149008.2554 300.2834 -183392.1825 -148905.2091 300.1565 187.3669 218.7041 557320.5226 4.5579 4.5542 PRESSURE: 3529000 267.62 37.6107 91.2053 37.6107 145.007 -88.3646 91.2035 -88.3652 260.883 GPRESSURE: 3529000 305.056 66.3251 -28.4899 16.4208 112.166 -59.1685 160.094 -90.7811 356.075 PRESSAVG: 3529000 47.4933 -34.0573 -43.1499 -34.0573 -74.8285 -31.1553 -43.15 -31.1553 -2.37546 GPRESSAVG: 3529000 49.4532 -34.9509 -42.2018 -36.127 -75.8787 -26.4758 -45.5273 -33.7934 -3.29249 TIMING: 3529000 CPU: 10502.8, 0.00294167/step Wall: 10502.8, 0.00294167/step, 1.202 hours remaining, 207.757812 MB of memory in use. ENERGY: 3529000 756.5665 2140.9300 1947.7206 119.1219 -206602.1146 18182.0278 0.0000 0.0000 34472.5364 -148983.2114 301.0572 -183455.7478 -148887.9845 299.9002 224.5035 257.7656 555771.4855 -9.9035 -9.9060 PRESSURE: 3529200 24.2854 -94.9683 -100.99 -94.9674 -91.929 8.82339 -100.991 8.82469 13.5254 GPRESSURE: 3529200 72.9219 -53.9183 -34.9136 -109.323 -52.2978 7.31741 -181.218 -13.6339 25.5539 PRESSAVG: 3529200 76.621 5.09408 -10.4178 5.0941 -81.8777 -36.4351 -10.4177 -36.4351 5.27503 GPRESSAVG: 3529200 75.2594 7.60084 -10.8062 4.6381 -81.7304 -38.1786 -9.54881 -36.115 7.30794 TIMING: 3529200 CPU: 10503.4, 0.00293326/step Wall: 10503.4, 0.00293325/step, 1.1984 hours remaining, 207.757812 MB of memory in use. ENERGY: 3529200 707.8364 2096.4845 1957.2470 117.6510 -206046.9493 17803.9986 0.0000 0.0000 34316.5407 -149047.1912 299.6949 -183363.7319 -148957.8376 300.2161 -18.0394 15.3927 558317.1016 0.0061 0.2790 PRESSURE: 3529400 -148.414 -201.068 232.885 -201.069 44.9886 -105.402 232.886 -105.401 215.919 GPRESSURE: 3529400 -43.5085 -105.566 144.942 -218.679 73.6148 -70.754 275.053 -95.001 161.062 PRESSAVG: 3529400 -28.4105 -20.424 65.3053 -20.4241 23.341 -33.9913 65.3053 -33.9912 65.6569 GPRESSAVG: 3529400 -27.5411 -22.0147 66.8234 -17.5646 24.1845 -32.2399 64.9663 -33.3391 64.1731 TIMING: 3529400 CPU: 10504, 0.0029404/step Wall: 10504, 0.0029404/step, 1.20115 hours remaining, 207.757812 MB of memory in use. ENERGY: 3529400 735.2849 2071.4354 1931.5960 111.0837 -206180.3466 17814.0480 0.0000 0.0000 34292.2044 -149224.6942 299.4823 -183516.8986 -149133.8821 299.7060 37.4980 63.7227 556028.9580 20.1958 20.2722 PRESSURE: 3529600 182.984 -33.8953 -61.5559 -33.8955 -104.155 82.7118 -61.5555 82.7119 38.7784 GPRESSURE: 3529600 185.351 -161.025 -48.7162 -1.52773 -109.279 114.367 -91.7655 70.6113 134.487 PRESSAVG: 3529600 30.6535 -17.8835 -19.8562 -17.8836 -78.1469 -26.584 -19.8563 -26.584 85.7476 GPRESSAVG: 3529600 29.952 -19.3194 -23.091 -17.7089 -77.6155 -28.1062 -19.4975 -27.8644 86.0845 TIMING: 3529600 CPU: 10504.5, 0.002947/step Wall: 10504.5, 0.002947/step, 1.20369 hours remaining, 207.757812 MB of memory in use. ENERGY: 3529600 743.6661 2087.7977 1932.5628 114.5546 -206288.0525 17975.7834 0.0000 0.0000 34143.9825 -149289.7055 298.1879 -183433.6879 -149194.0069 299.0597 39.2024 70.1861 558327.8350 12.7514 12.8070 PRESSURE: 3529800 -249.056 -86.5971 -49.114 -86.5979 -240.164 93.9842 -49.1149 93.9838 -203.129 GPRESSURE: 3529800 -219.366 -152.707 5.2029 -19.6811 -186.124 181.654 -86.1748 65.3786 -182.048 PRESSAVG: 3529800 -2.36502 3.65666 21.3543 3.65667 54.0797 7.65338 21.3543 7.65341 -65.6494 GPRESSAVG: 3529800 -2.63907 5.60087 23.991 2.11691 53.5994 7.73162 20.8681 7.67693 -65.4816 TIMING: 3529800 CPU: 10505.1, 0.00294427/step Wall: 10505.1, 0.00294427/step, 1.20241 hours remaining, 207.757812 MB of memory in use. ENERGY: 3529800 725.9743 2068.2323 1935.4478 113.6568 -205924.8319 17513.4466 0.0000 0.0000 34276.8998 -149291.1742 299.3487 -183568.0740 -149201.5505 299.2772 -230.7832 -195.8462 557968.5198 -4.6449 -4.8404 PRESSURE: 3530000 -243.38 5.89047 -4.18227 5.8903 -84.2238 -79.7997 -4.18211 -79.8001 -4.72568 GPRESSURE: 3530000 -234.515 151.636 -39.0152 -16.7399 -43.2152 -76.486 23.9296 -95.7759 23.175 PRESSAVG: 3530000 -66.8065 12.3529 -9.71346 12.3529 2.49415 -26.5514 -9.71344 -26.5514 74.9654 GPRESSAVG: 3530000 -67.1693 13.0255 -11.1981 10.5108 3.35977 -26.4878 -9.75347 -27.118 74.1328 TIMING: 3530000 CPU: 10505.7, 0.00292966/step Wall: 10505.7, 0.00292966/step, 1.19628 hours remaining, 207.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3530000 715.4931 2054.4054 1944.7922 120.5232 -205921.0012 17711.1503 0.0000 0.0000 34158.6848 -149215.9523 298.3163 -183374.6371 -149120.3409 299.1466 -110.7764 -84.8518 558336.7061 3.5510 3.4411 PRESSURE: 3530200 -65.9231 -10.9897 9.03542 -10.9894 -93.957 -72.9513 9.03544 -72.9507 -64.8203 GPRESSURE: 3530200 -104.99 -64.0957 -39.3988 55.462 10.3031 -16.2269 20.3394 -101.635 -39.1892 PRESSAVG: 3530200 -51.2084 21.3524 -22.1368 21.3524 -9.78431 24.362 -22.1368 24.3619 51.5279 GPRESSAVG: 3530200 -50.3475 21.4307 -21.8084 20.8046 -10.5529 24.0321 -20.8941 25.3255 51.3886 TIMING: 3530200 CPU: 10506.3, 0.00294725/step Wall: 10506.3, 0.00294725/step, 1.2033 hours remaining, 207.757812 MB of memory in use. ENERGY: 3530200 735.3259 2075.8376 1918.7417 111.0849 -206112.9351 17862.2697 0.0000 0.0000 34294.1474 -149115.5279 299.4993 -183409.6753 -149021.5523 299.0537 -74.9001 -44.6252 559926.3611 -3.1549 -3.1706 PRESSURE: 3530400 -10.7218 -34.9942 -79.3478 -34.995 -23.5702 76.5299 -79.3491 76.5308 110.472 GPRESSURE: 3530400 101.178 -63.3479 -91.7713 -72.8879 22.4241 63.3673 -49.4526 144.962 55.4508 PRESSAVG: 3530400 -64.8693 -35.0549 0.695809 -35.0549 18.1893 8.26173 0.695774 8.26177 31.5264 GPRESSAVG: 3530400 -65.777 -35.6313 1.689 -33.332 17.5662 9.84977 -2.08566 7.80545 32.9116 TIMING: 3530400 CPU: 10506.9, 0.00293427/step Wall: 10506.9, 0.00293427/step, 1.19783 hours remaining, 207.757812 MB of memory in use. ENERGY: 3530400 729.8170 2017.7048 1941.5681 116.1634 -206141.7787 17965.9006 0.0000 0.0000 34147.8042 -149222.8206 298.2213 -183370.6248 -149121.2565 299.5485 25.3934 59.6844 560297.1896 -5.0512 -5.0998 PRESSURE: 3530600 -46.7994 -69.1218 -51.1333 -69.122 -345.803 -111.833 -51.1336 -111.834 -170.335 GPRESSURE: 3530600 6.28012 -25.4843 -62.8105 -72.3256 -346.936 -106.49 -65.0589 -163.664 -102.974 PRESSAVG: 3530600 -63.509 2.99003 -41.2794 2.99002 9.51583 -44.6886 -41.2794 -44.6885 43.0822 GPRESSAVG: 3530600 -63.2889 2.32462 -41.5416 2.26423 10.5212 -45.8213 -40.6281 -43.4807 41.962 TIMING: 3530600 CPU: 10507.5, 0.0029304/step Wall: 10507.5, 0.0029304/step, 1.19609 hours remaining, 207.757812 MB of memory in use. ENERGY: 3530600 761.3548 2116.1369 1933.7193 117.5347 -205849.4679 17588.1566 0.0000 0.0000 34294.1448 -149038.4208 299.4993 -183332.5657 -148944.9582 299.8163 -187.6456 -147.8767 559564.7878 -3.6370 -3.6019 PRESSURE: 3530800 8.42442 -179.681 -111.783 -179.682 -135.692 -58.3631 -111.783 -58.3626 -96.1581 GPRESSURE: 3530800 84.0068 -177.809 -42.7406 -166.234 -104.322 -76.4714 -91.4511 47.6742 -112.207 PRESSAVG: 3530800 2.70568 0.202163 7.00301 0.202079 33.0095 -31.8218 7.00288 -31.8217 2.56021 GPRESSAVG: 3530800 2.31031 -0.199496 6.87362 2.15708 33.9972 -32.6085 8.13402 -32.4693 1.49454 TIMING: 3530800 CPU: 10508.1, 0.00293175/step Wall: 10508.1, 0.00293175/step, 1.19648 hours remaining, 207.757812 MB of memory in use. ENERGY: 3530800 761.6908 2096.6102 1923.2481 111.3682 -205643.6875 17586.4911 0.0000 0.0000 34137.9408 -149026.3383 298.1351 -183164.2791 -148933.6251 299.7211 -74.4751 -44.1742 558990.1961 12.7584 12.6007 PRESSURE: 3531000 156.263 148.891 54.4698 148.89 90.8776 -58.0551 54.4695 -58.0555 169.757 GPRESSURE: 3531000 213.674 104.103 108.246 120.171 94.0809 -106.788 69.9102 -3.29948 203.77 PRESSAVG: 3531000 18.792 12.1008 2.33611 12.1007 -66.5715 -21.1075 2.33607 -21.1076 49.7997 GPRESSAVG: 3531000 18.7478 12.8729 2.5085 10.1768 -67.4343 -19.5339 2.66468 -20.5133 51.1048 TIMING: 3531000 CPU: 10508.7, 0.00294988/step Wall: 10508.7, 0.00294988/step, 1.20372 hours remaining, 207.757812 MB of memory in use. ENERGY: 3531000 724.9629 2109.5762 1934.0179 114.4690 -206420.3758 18192.2539 0.0000 0.0000 34233.0045 -149112.0914 298.9653 -183345.0959 -149016.2833 298.8938 138.9659 170.5086 557340.2148 0.6734 0.8061 PRESSURE: 3531200 84.781 147.668 187.883 147.668 -56.2015 43.6685 187.884 43.6696 -118.423 GPRESSURE: 3531200 104.688 207.597 181.747 229.867 6.45774 59.1452 115.877 69.8749 -94.627 PRESSAVG: 3531200 -27.3293 30.8416 -10.6064 30.8416 -12.9485 -21.2151 -10.6064 -21.2151 33.2228 GPRESSAVG: 3531200 -25.6384 30.5716 -9.41832 31.7039 -14.1164 -23.8441 -12.1163 -20.8724 32.837 TIMING: 3531200 CPU: 10509.2, 0.00294414/step Wall: 10509.2, 0.00294414/step, 1.20121 hours remaining, 207.757812 MB of memory in use. ENERGY: 3531200 735.3921 2101.1072 1939.4128 117.0859 -206290.2608 17966.4932 0.0000 0.0000 34496.1744 -148934.5952 301.2637 -183430.7696 -148838.1891 299.8339 -29.9479 5.5063 557677.9478 -2.3516 -2.3059 PRESSURE: 3531400 -385.914 23.3504 151.213 23.3502 -33.7592 64.9478 151.211 64.9498 -383.307 GPRESSURE: 3531400 -339.264 6.396 215.097 19.2032 -22.939 102.885 84.9202 50.2006 -332.114 PRESSAVG: 3531400 -17.8426 -12.5817 -8.85242 -12.5816 49.0999 24.8251 -8.85242 24.8252 -6.93747 GPRESSAVG: 3531400 -18.5575 -13.9454 -8.66291 -11.607 49.6789 26.9749 -7.7823 23.6532 -7.01599 TIMING: 3531400 CPU: 10509.8, 0.00294057/step Wall: 10509.8, 0.00294057/step, 1.19959 hours remaining, 207.757812 MB of memory in use. ENERGY: 3531400 779.0577 2021.8929 1969.6289 122.9361 -205345.1614 17335.3023 0.0000 0.0000 34199.2129 -148917.1305 298.6702 -183116.3434 -148817.6200 299.9720 -267.6603 -231.4392 559277.9429 8.1066 8.0351 PRESSURE: 3531600 -59.0259 -10.7954 8.84698 -10.7949 48.2137 3.49947 8.84642 3.49942 -283.994 GPRESSURE: 3531600 -11.5937 -96.1978 -34.4896 74.5184 43.7527 -34.4568 80.9868 15.1785 -224.76 PRESSAVG: 3531600 -2.3824 15.6598 16.2372 15.6598 0.696325 35.3577 16.2372 35.3578 7.04834 GPRESSAVG: 3531600 -2.51898 16.2004 15.685 15.9336 0.218844 33.3361 17.5683 38.1682 7.67624 TIMING: 3531600 CPU: 10510.4, 0.00294414/step Wall: 10510.4, 0.00294414/step, 1.20088 hours remaining, 207.757812 MB of memory in use. ENERGY: 3531600 787.0147 2032.4794 1941.0097 130.1231 -206104.2205 17733.0551 0.0000 0.0000 34487.8569 -148992.6815 301.1910 -183480.5385 -148889.6688 299.8978 -98.2686 -64.2002 557848.8055 1.7874 1.7920 PRESSURE: 3531800 -140.108 -29.8007 -81.2146 -29.7999 -59.3748 -109.252 -81.2138 -109.252 27.5667 GPRESSURE: 3531800 -55.3759 -69.1385 -73.182 -60.6762 -108.128 -105.676 -33.5673 -137.44 93.2082 PRESSAVG: 3531800 32.1076 9.74218 50.2968 9.74223 34.8425 -43.9629 50.2968 -43.9628 -32.0343 GPRESSAVG: 3531800 31.6366 10.239 51.8547 9.02432 35.7751 -42.5336 49.5565 -46.2574 -32.354 TIMING: 3531800 CPU: 10511, 0.00290872/step Wall: 10511, 0.00290872/step, 1.18627 hours remaining, 207.757812 MB of memory in use. ENERGY: 3531800 753.8446 2017.0574 1939.4837 112.7047 -205937.7168 17701.3157 0.0000 0.0000 34275.1058 -149138.2048 299.3330 -183413.3107 -149040.0381 300.4604 -57.3054 -23.4320 557349.4921 11.6386 11.6859 PRESSURE: 3532000 122.158 -116.197 5.37412 -116.196 -297.38 -73.1594 5.37407 -73.1594 82.1977 GPRESSURE: 3532000 147.619 -154.351 89.7171 -151.197 -247.051 -48.6534 6.67537 -115.859 89.9616 PRESSAVG: 3532000 -14.8851 2.17266 35.5251 2.17256 43.5631 -32.2769 35.5252 -32.277 -45.1084 GPRESSAVG: 3532000 -14.6636 2.53099 33.8702 2.08763 43.1389 -30.5734 36.3974 -33.6387 -44.2747 TIMING: 3532000 CPU: 10511.6, 0.00294244/step Wall: 10511.6, 0.00294244/step, 1.19986 hours remaining, 207.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3532000 735.5445 2135.6367 1911.0385 121.3980 -205962.5633 17658.3594 0.0000 0.0000 34286.6188 -149113.9675 299.4336 -183400.5863 -149015.7623 299.8278 -31.0082 -3.1570 556839.9542 -5.4768 -5.2665 PRESSURE: 3532200 54.6868 117.663 84.5947 117.662 22.0698 48.1058 84.5934 48.1059 92.0498 GPRESSURE: 3532200 134.131 83.3284 53.8909 67.1235 46.5056 29.6016 141.957 -35.2111 97.6568 PRESSAVG: 3532200 54.076 -40.1468 -3.96618 -40.1469 -58.2205 42.2417 -3.96617 42.2416 2.62096 GPRESSAVG: 3532200 54.6018 -37.7777 -5.37625 -40.8763 -58.8478 42.4733 -4.80065 43.9906 3.59072 TIMING: 3532200 CPU: 10512.2, 0.00292736/step Wall: 10512.2, 0.00292736/step, 1.19355 hours remaining, 207.757812 MB of memory in use. ENERGY: 3532200 747.8900 2046.6994 1932.8638 112.3128 -206188.0068 17943.6533 0.0000 0.0000 34474.8691 -148929.7184 301.0776 -183404.5874 -148843.5815 299.1953 56.2688 92.7643 557464.7473 -0.5079 -0.2184 LDB: ============= START OF LOAD BALANCING ============== 10515.7 LDB: ============== END OF LOAD BALANCING =============== 10515.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10515.7 LDB: ============= START OF LOAD BALANCING ============== 10516 LDB: Largest compute 4802 load 0.025717 is 21.8% of average load 0.118224 LDB: Average compute 0.001733 is 1.5% of average load 0.118224 LDB: TIME 10516 LOAD: AVG 0.118224 MAX 0.196246 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.562 MB LDB: TIME 10516 LOAD: AVG 0.118224 MAX 0.196246 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: TIME 10516 LOAD: AVG 0.118224 MAX 0.196246 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: ============== END OF LOAD BALANCING =============== 10516 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10516 PRESSURE: 3532400 14.8592 44.4411 -33.4711 44.4406 311.061 -76.7882 -33.4712 -76.7877 14.2797 GPRESSURE: 3532400 70.2961 -41.3888 -42.1515 78.0046 330.223 -145.836 -37.6983 0.0787942 44.8579 PRESSAVG: 3532400 35.8157 -30.8959 -9.72792 -30.896 -18.548 -46.2337 -9.72807 -46.2337 -20.6254 GPRESSAVG: 3532400 36.0662 -34.9818 -10.341 -29.3155 -16.941 -47.9598 -9.97858 -46.6082 -22.2109 TIMING: 3532400 CPU: 10512.8, 0.00301106/step Wall: 10512.8, 0.00301106/step, 1.22751 hours remaining, 208.273438 MB of memory in use. ENERGY: 3532400 765.8875 2060.4228 1945.2713 121.2950 -206187.2065 17996.7306 0.0000 0.0000 34168.7997 -149128.7995 298.4046 -183297.5993 -149040.5049 299.6217 113.3999 148.4590 556763.9856 -1.1192 -1.0286 PRESSURE: 3532600 310.834 -41.1005 90.5129 -41.0981 144.129 -229.462 90.5126 -229.462 -53.4437 GPRESSURE: 3532600 327.463 -69.8322 122.237 -47.177 145.689 -210.644 94.0339 -216.098 13.6161 PRESSAVG: 3532600 21.1694 -34.4195 -7.81893 -34.4196 42.3101 -87.2936 -7.81897 -87.2936 -46.7632 GPRESSAVG: 3532600 22.7957 -35.5521 -8.41245 -33.4255 40.8925 -86.5736 -5.15881 -85.0467 -46.6921 TIMING: 3532600 CPU: 10513.4, 0.00296687/step Wall: 10513.4, 0.00296687/step, 1.20933 hours remaining, 208.273438 MB of memory in use. ENERGY: 3532600 757.6115 2112.9227 1929.8280 116.8301 -206311.9893 17877.4237 0.0000 0.0000 34485.3241 -149032.0492 301.1689 -183517.3733 -148939.4942 298.7720 133.8397 162.2562 556419.2570 5.5721 5.6654 PRESSURE: 3532800 342.251 85.6562 -99.5046 85.6581 90.3039 112.815 -99.5054 112.815 19.6357 GPRESSURE: 3532800 371.997 52.1078 -127.324 -6.85523 138.925 66.4269 -68.9657 98.6728 39.2153 PRESSAVG: 3532800 35.2735 14.0367 -29.578 14.0367 40.6001 10.3711 -29.5779 10.3712 -78.2761 GPRESSAVG: 3532800 35.1133 15.4851 -26.0799 12.4676 41.648 11.3651 -31.4197 8.46791 -79.2738 TIMING: 3532800 CPU: 10514, 0.00298771/step Wall: 10514, 0.00298771/step, 1.21766 hours remaining, 208.273438 MB of memory in use. ENERGY: 3532800 727.4658 2035.9491 1954.5167 118.0438 -206116.2517 17938.5809 0.0000 0.0000 34230.8395 -149110.8558 298.9464 -183341.6953 -149010.0050 299.9646 150.7302 183.3791 557297.3215 -0.8008 -0.8375 PRESSURE: 3533000 43.7214 -15.726 -104.452 -15.7266 133.055 155.386 -104.453 155.384 24.7786 GPRESSURE: 3533000 9.50068 -42.6363 -158.435 21.5482 243.113 88.3084 -58.715 157.396 54.1896 PRESSAVG: 3533000 4.96586 5.2783 -7.26198 5.27832 -57.7826 -33.0997 -7.26193 -33.0995 60.1872 GPRESSAVG: 3533000 3.88532 5.44113 -7.58911 6.81419 -58.5447 -32.7303 -7.25374 -31.901 62.3279 TIMING: 3533000 CPU: 10514.6, 0.00294475/step Wall: 10514.6, 0.00294475/step, 1.19998 hours remaining, 208.273438 MB of memory in use. ENERGY: 3533000 741.0105 2105.1325 1931.5536 123.2555 -206561.5721 18188.5965 0.0000 0.0000 34343.4399 -149128.5837 299.9298 -183472.0235 -149033.7047 299.0509 67.1851 102.2676 557881.2528 2.4568 2.5562 PRESSURE: 3533200 -135.391 4.4256 -38.0385 4.42629 -340.32 18.0106 -38.0391 18.0121 -206.12 GPRESSURE: 3533200 -102.173 78.9074 -162.848 10.2722 -319.835 21.8112 8.67293 21.033 -164.573 PRESSAVG: 3533200 40.0644 -4.21262 -8.97207 -4.21262 -29.2477 -49.6036 -8.97205 -49.6036 -39.575 GPRESSAVG: 3533200 40.6116 -2.04526 -9.36968 -5.32943 -28.9537 -51.4762 -10.1377 -51.0044 -39.5999 TIMING: 3533200 CPU: 10515.2, 0.00294556/step Wall: 10515.2, 0.00294556/step, 1.20015 hours remaining, 208.273438 MB of memory in use. ENERGY: 3533200 752.9377 2079.4546 1956.8010 123.7545 -205808.7066 17439.0905 0.0000 0.0000 34274.6395 -149182.0287 299.3290 -183456.6682 -149090.6689 298.5536 -227.2772 -195.5270 557458.0832 -9.5861 -9.3140 PRESSURE: 3533400 -4.39263 -163.317 112.9 -163.318 -318.691 -63.7883 112.899 -63.7872 -5.76184 GPRESSURE: 3533400 45.2976 -180.163 128.569 -135.885 -280.668 -16.7005 161.156 3.14756 0.230289 PRESSAVG: 3533400 -3.53892 -15.583 -43.2958 -15.583 -4.82652 1.27288 -43.296 1.27291 -37.9803 GPRESSAVG: 3533400 -2.70463 -16.6616 -43.2965 -16.1918 -4.7288 0.89934 -43.5126 1.93004 -38.4256 TIMING: 3533400 CPU: 10515.7, 0.00294583/step Wall: 10515.7, 0.00294583/step, 1.2001 hours remaining, 208.273438 MB of memory in use. ENERGY: 3533400 711.5883 2042.3306 1897.4614 115.3508 -205793.8838 17434.7899 0.0000 0.0000 34225.2848 -149367.0780 298.8979 -183592.3628 -149267.8630 298.7907 -109.6150 -78.3801 556446.0709 -15.4486 -15.2863 PRESSURE: 3533600 -34.4448 38.6264 33.787 38.6269 -244.79 -37.7611 33.7867 -37.762 47.5954 GPRESSURE: 3533600 -18.8999 73.04 53.0812 17.0092 -168.543 -84.3916 25.6549 -4.77254 67.8355 PRESSAVG: 3533600 16.8807 -7.90097 23.7367 -7.90094 -97.9455 -25.0703 23.7366 -25.0704 70.746 GPRESSAVG: 3533600 15.3941 -8.59323 21.9546 -6.1588 -96.6112 -24.969 24.8961 -23.5357 71.4529 TIMING: 3533600 CPU: 10516.3, 0.00292922/step Wall: 10516.3, 0.00292922/step, 1.19317 hours remaining, 208.273438 MB of memory in use. ENERGY: 3533600 730.5543 2070.1557 1929.7651 116.0501 -205926.1842 17609.8991 0.0000 0.0000 34194.7841 -149274.9758 298.6316 -183469.7599 -149175.8626 299.0589 -77.2132 -39.8690 556433.5760 -3.4396 -3.2547 PRESSURE: 3533800 -252.788 -161.735 -142.672 -161.736 -84.8292 -4.29513 -142.674 -4.29428 -253.788 GPRESSURE: 3533800 -189.508 -145.455 -79.8366 -135.415 -63.9418 26.1344 -148.007 -46.5621 -238.721 PRESSAVG: 3533800 76.2762 31.0437 -22.9579 31.0437 -72.9388 -25.2712 -22.958 -25.2711 45.8523 GPRESSAVG: 3533800 77.4789 29.7977 -21.6589 31.5772 -73.7535 -23.349 -21.244 -26.4855 45.4609 TIMING: 3533800 CPU: 10516.9, 0.00294101/step Wall: 10516.9, 0.00294101/step, 1.19781 hours remaining, 208.273438 MB of memory in use. ENERGY: 3533800 735.9577 2083.8997 1941.7839 112.1176 -205811.0182 17520.8462 0.0000 0.0000 34267.5620 -149148.8510 299.2671 -183416.4130 -149052.2397 299.2929 -197.1352 -164.0570 557723.3641 16.3966 16.3954 PRESSURE: 3534000 -32.3943 -111.215 -118.79 -111.216 -151.647 -102.263 -118.79 -102.262 -108.775 GPRESSURE: 3534000 -25.3258 -115.458 -152.527 -80.8892 -89.9799 -74.746 -93.9838 -39.0429 -75.0338 PRESSAVG: 3534000 7.80932 23.1149 -37.3153 23.1148 -2.94318 34.2605 -37.3154 34.2605 -1.70291 GPRESSAVG: 3534000 7.0906 24.3034 -37.5398 23.2467 -2.47149 33.5781 -37.55 35.9436 -1.04803 TIMING: 3534000 CPU: 10517.5, 0.00292467/step Wall: 10517.5, 0.00292467/step, 1.19099 hours remaining, 208.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3534000 761.3631 2087.3008 1927.9011 109.0170 -205886.8917 17687.2265 0.0000 0.0000 34198.2563 -149115.8271 298.6619 -183314.0833 -149026.7256 299.3999 -97.6056 -63.4465 557266.0296 1.0544 1.1904 PRESSURE: 3534200 105.724 -78.3174 25.7543 -78.3168 476.281 85.856 25.7555 85.8555 162.544 GPRESSURE: 3534200 154.24 -114.584 -43.8775 -48.0042 563.073 68.2228 11.5073 69.104 146.47 PRESSAVG: 3534200 -0.260748 -29.0839 9.84553 -29.0839 -13.6879 -61.4727 9.8455 -61.4728 -32.1751 GPRESSAVG: 3534200 0.603164 -30.3754 9.02637 -29.2455 -13.9264 -61.4822 7.94823 -62.4964 -32.7192 TIMING: 3534200 CPU: 10518.1, 0.00294727/step Wall: 10518.1, 0.00294727/step, 1.20003 hours remaining, 208.273438 MB of memory in use. ENERGY: 3534200 734.1468 2019.4295 1914.2336 119.2050 -206605.3848 18101.6224 0.0000 0.0000 34635.4678 -149081.2798 302.4802 -183716.7476 -148978.1303 300.0796 248.1830 287.9274 557242.9197 -15.3746 -15.3475 PRESSURE: 3534400 -120.467 -45.6793 92.5268 -45.6789 -161.007 -88.7757 92.5266 -88.7764 -241.994 GPRESSURE: 3534400 -63.6354 -107.936 72.7636 92.3918 -145.88 -93.8681 58.0852 -57.2266 -224.613 PRESSAVG: 3534400 12.4003 6.33446 36.2066 6.33439 -2.55178 -46.0183 36.2065 -46.0183 26.5739 GPRESSAVG: 3534400 11.9266 7.95376 34.7405 6.0967 -2.52392 -46.2278 38.6022 -45.982 27.2753 TIMING: 3534400 CPU: 10518.7, 0.00294175/step Wall: 10518.7, 0.00294175/step, 1.19762 hours remaining, 208.273438 MB of memory in use. ENERGY: 3534400 760.5813 2077.5275 1947.5744 106.7982 -205720.7609 17676.4834 0.0000 0.0000 34191.3516 -148960.4444 298.6016 -183151.7960 -148869.9668 299.6196 -174.4896 -144.7093 557905.7433 12.1408 12.2260 PRESSURE: 3534600 63.5922 108.621 31.4599 108.621 1.70568 100.978 31.4588 100.978 31.8768 GPRESSURE: 3534600 102.3 58.2702 3.20499 188.873 14.1492 152.978 69.2553 71.2924 76.872 PRESSAVG: 3534600 62.1238 27.8347 7.6349 27.8347 -25.4743 -50.2187 7.63492 -50.2187 -5.82725 GPRESSAVG: 3534600 62.505 29.0057 7.72778 27.3377 -25.0587 -49.7592 8.73335 -50.0152 -6.08642 TIMING: 3534600 CPU: 10519.3, 0.00295769/step Wall: 10519.3, 0.00295769/step, 1.20394 hours remaining, 208.273438 MB of memory in use. ENERGY: 3534600 762.6490 2084.8150 1927.6529 109.6743 -206031.9600 17739.8704 0.0000 0.0000 34322.5726 -149084.7257 299.7476 -183407.2983 -148989.7000 299.4468 32.3916 64.4405 556582.6406 10.2741 10.4533 PRESSURE: 3534800 -131.787 -20.3419 94.3898 -20.342 -270.393 224.046 94.3902 224.048 -207.542 GPRESSURE: 3534800 -140.508 11.1484 -16.3184 58.3997 -218.226 211.617 118.317 233.954 -164.809 PRESSAVG: 3534800 69.2972 -41.1546 1.54615 -41.1547 -74.8062 26.2004 1.54614 26.2004 -31.813 GPRESSAVG: 3534800 68.8579 -43.3238 3.63081 -39.8521 -76.1642 26.5616 -1.26916 26.0779 -30.4991 TIMING: 3534800 CPU: 10519.9, 0.00293982/step Wall: 10519.9, 0.00293982/step, 1.19651 hours remaining, 208.273438 MB of memory in use. ENERGY: 3534800 721.9845 2040.6670 1959.8065 115.4173 -205878.5806 17429.0953 0.0000 0.0000 34498.7744 -149112.8356 301.2864 -183611.6100 -149013.4249 299.6712 -203.2409 -174.5141 558477.6717 -12.4407 -12.6018 PRESSURE: 3535000 216.1 -71.0808 -91.4835 -71.0789 41.6324 -11.4638 -91.4831 -11.4625 -42.497 GPRESSURE: 3535000 219.919 -152.555 -27.1871 -0.403596 124.377 -66.649 -57.116 16.8032 -44.9813 PRESSAVG: 3535000 20.2201 -40.8815 -75.5525 -40.8817 -17.2662 50.2257 -75.5525 50.2258 1.90925 GPRESSAVG: 3535000 21.0509 -39.5926 -76.3249 -42.6728 -15.6022 49.8361 -74.0611 49.3894 0.224289 TIMING: 3535000 CPU: 10520.4, 0.00294095/step Wall: 10520.4, 0.00294095/step, 1.1968 hours remaining, 208.273438 MB of memory in use. ENERGY: 3535000 731.3191 2100.8667 1943.5350 108.5710 -206510.2613 17976.9364 0.0000 0.0000 34489.9456 -149159.0876 301.2093 -183649.0331 -149054.8329 299.1421 71.7451 99.7716 556764.9405 1.6211 1.8910 PRESSURE: 3535200 12.8638 3.78528 72.0878 3.7847 114.356 -51.0834 72.0873 -51.0843 -5.94696 GPRESSURE: 3535200 67.7024 -44.2802 -2.71694 43.7768 61.8153 10.1021 139.054 8.66192 71.1173 PRESSAVG: 3535200 43.063 6.1621 -18.2349 6.162 28.5871 6.83131 -18.235 6.83125 -35.0666 GPRESSAVG: 3535200 43.0068 5.55408 -19.0309 6.14023 28.0043 8.41509 -16.9015 6.40319 -34.5048 TIMING: 3535200 CPU: 10521, 0.00293277/step Wall: 10521, 0.00293277/step, 1.19331 hours remaining, 208.273438 MB of memory in use. ENERGY: 3535200 764.4959 2051.2858 1922.7348 107.0732 -206349.0588 17906.9613 0.0000 0.0000 34277.9076 -149318.6003 299.3575 -183596.5078 -149227.9949 299.0917 40.4241 66.8784 556871.7501 12.1945 12.1687 PRESSURE: 3535400 -224.441 23.4809 -189.817 23.4816 22.4525 96.5126 -189.817 96.5132 -112.533 GPRESSURE: 3535400 -235.369 49.7806 -197.985 -38.8513 81.7124 9.2278 -193.548 105.309 -61.3487 PRESSAVG: 3535400 -46.664 -18.4795 -16.5566 -18.4796 26.0456 19.1397 -16.5566 19.1396 8.442 GPRESSAVG: 3535400 -47.1265 -18.6351 -13.8736 -17.2754 27.0061 16.6855 -18.6381 21.7624 7.55514 TIMING: 3535400 CPU: 10521.6, 0.00293371/step Wall: 10521.6, 0.00293371/step, 1.19353 hours remaining, 208.273438 MB of memory in use. ENERGY: 3535400 741.1322 2089.3636 1940.5425 118.3265 -205825.1790 17588.0688 0.0000 0.0000 34172.6722 -149175.0731 298.4384 -183347.7454 -149079.1623 299.1101 -104.8406 -71.6686 557480.1888 -4.0588 -4.1884 PRESSURE: 3535600 -199.773 -152.789 -72.1226 -152.789 -11.8936 -108.225 -72.1216 -108.225 129.824 GPRESSURE: 3535600 -171.113 -186.691 -60.9865 -95.65 14.5666 -100.679 -91.6948 -133.63 154.567 PRESSAVG: 3535600 -63.2521 43.1038 -23.5799 43.1038 80.8104 7.64985 -23.58 7.6499 15.7561 GPRESSAVG: 3535600 -62.9261 42.8664 -24.6372 43.4586 79.9508 6.69386 -23.9178 5.63263 16.6463 TIMING: 3535600 CPU: 10522.2, 0.0029081/step Wall: 10522.2, 0.0029081/step, 1.18295 hours remaining, 208.273438 MB of memory in use. ENERGY: 3535600 744.3738 2100.9310 1930.9648 114.0565 -206595.6966 17980.9264 0.0000 0.0000 34382.4239 -149342.0202 300.2703 -183724.4440 -149247.9729 299.1477 -27.2809 -0.6599 557327.7707 11.1048 11.2237 PRESSURE: 3535800 -293.888 -101.789 -147.802 -101.789 -280.064 71.6265 -147.802 71.6257 171.959 GPRESSURE: 3535800 -250.792 -143.674 -108.32 -53.0673 -250.972 -26.4782 -111.416 114.794 197.136 PRESSAVG: 3535800 -39.2271 19.1528 4.95105 19.1528 -25.7964 -38.0216 4.95106 -38.0217 15.4741 GPRESSAVG: 3535800 -37.6902 19.7702 6.05785 18.5192 -27.4844 -38.6393 4.99469 -35.2188 15.9693 TIMING: 3535800 CPU: 10522.8, 0.00293924/step Wall: 10522.8, 0.00293924/step, 1.19545 hours remaining, 208.273438 MB of memory in use. ENERGY: 3535800 785.3244 2122.4441 1933.3673 106.3658 -205854.5328 17511.7764 0.0000 0.0000 34060.3308 -149334.9241 297.4573 -183395.2549 -149247.5791 299.2272 -133.9978 -101.5428 556880.4228 -16.5165 -16.4018 PRESSURE: 3536000 -106.943 155.959 -20.2572 155.959 72.1998 -35.577 -20.2563 -35.5772 -39.3157 GPRESSURE: 3536000 -73.6135 220.279 -6.09204 107.986 60.125 -14.5769 -1.49385 -3.58274 32.3205 PRESSAVG: 3536000 -20.6623 21.1316 2.0603 21.1317 40.9983 14.0968 2.06036 14.0968 -17.8956 GPRESSAVG: 3536000 -22.8205 19.7238 0.672546 23.6795 42.8697 16.2065 3.48418 12.0438 -17.3632 TIMING: 3536000 CPU: 10523.4, 0.00292875/step Wall: 10523.4, 0.00292875/step, 1.19102 hours remaining, 208.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3536000 723.8633 2088.2300 1940.4419 128.4032 -206087.7891 17808.3298 0.0000 0.0000 34195.6006 -149202.9204 298.6387 -183398.5210 -149107.2223 299.3088 -24.6862 6.2773 559144.2891 0.8134 0.8953 PRESSURE: 3536200 88.087 -51.7388 74.5202 -51.7385 0.464536 -73.2022 74.5208 -73.2027 84.43 GPRESSURE: 3536200 94.9891 40.6023 70.7254 -107.042 52.3941 -129.738 -60.2473 -40.0822 103.199 PRESSAVG: 3536200 3.07947 13.0515 28.4713 13.0515 20.8976 2.87231 28.4712 2.87226 -41.7343 GPRESSAVG: 3536200 3.87265 12.8283 29.6388 12.0634 19.0411 1.26844 25.4711 6.93703 -41.4326 TIMING: 3536200 CPU: 10524, 0.00292864/step Wall: 10524, 0.00292864/step, 1.19082 hours remaining, 208.273438 MB of memory in use. ENERGY: 3536200 714.7641 2100.8432 1947.4098 126.0606 -206429.9826 18038.1292 0.0000 0.0000 34222.7008 -149280.0749 298.8754 -183502.7757 -149186.8349 298.6658 57.6605 83.5272 558364.4272 -5.9191 -6.1730 LDB: ============= START OF LOAD BALANCING ============== 10527.5 LDB: ============== END OF LOAD BALANCING =============== 10527.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10527.5 LDB: ============= START OF LOAD BALANCING ============== 10527.8 LDB: Largest compute 4802 load 0.024008 is 20.3% of average load 0.118260 LDB: Average compute 0.001734 is 1.5% of average load 0.118260 LDB: TIME 10527.8 LOAD: AVG 0.11826 MAX 0.196769 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.113 MB LDB: TIME 10527.8 LOAD: AVG 0.11826 MAX 0.196769 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.113 MB LDB: TIME 10527.8 LOAD: AVG 0.11826 MAX 0.196769 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.113 MB LDB: ============== END OF LOAD BALANCING =============== 10527.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10527.8 PRESSURE: 3536400 -12.5664 -230.821 -37.6028 -230.82 -176.84 -79.5065 -37.6029 -79.5055 -168.106 GPRESSURE: 3536400 17.8757 -128.532 8.43325 -223.912 -150.833 -150.583 -16.9793 -15.9038 -134.69 PRESSAVG: 3536400 62.8204 -64.3279 11.8921 -64.3279 -33.428 16.7275 11.8922 16.7274 -17.2834 GPRESSAVG: 3536400 62.819 -62.6819 9.99086 -66.2289 -32.4514 18.7094 12.4468 13.2167 -18.2478 TIMING: 3536400 CPU: 10524.6, 0.00299659/step Wall: 10524.6, 0.00299659/step, 1.21828 hours remaining, 208.261719 MB of memory in use. ENERGY: 3536400 725.4489 2097.6421 1918.2689 129.3002 -206277.4315 17685.2833 0.0000 0.0000 34322.4205 -149399.0676 299.7462 -183721.4881 -149300.1938 299.1645 -119.1708 -89.2160 559431.5363 4.0363 4.0399 PRESSURE: 3536600 20.0178 -27.2829 -72.058 -27.2819 121.361 36.5047 -72.0583 36.5035 -35.617 GPRESSURE: 3536600 103.202 -17.9226 -20.914 -9.10152 140.095 69.1151 -44.7785 -42.4104 -41.2355 PRESSAVG: 3536600 90.5188 -3.45961 -20.6857 -3.4595 -43.2972 -46.1851 -20.6858 -46.185 -14.8104 GPRESSAVG: 3536600 90.2868 -4.86067 -21.5363 -2.93274 -43.297 -46.8856 -19.1159 -46.9515 -14.1757 TIMING: 3536600 CPU: 10525.1, 0.00295414/step Wall: 10525.1, 0.00295414/step, 1.20086 hours remaining, 208.464844 MB of memory in use. ENERGY: 3536600 737.5451 2087.6995 1903.0396 111.6085 -206500.6301 18043.8191 0.0000 0.0000 34307.0974 -149309.8208 299.6124 -183616.9182 -149210.3788 299.0342 35.2538 67.3538 558105.1486 10.8037 10.9380 PRESSURE: 3536800 42.6333 -22.9051 -22.11 -22.9055 -74.2584 -94.747 -22.1105 -94.7468 107.264 GPRESSURE: 3536800 81.9737 -1.91174 25.7719 -99.8707 -39.4173 -80.217 -57.0728 -105.737 112.374 PRESSAVG: 3536800 56.3849 24.3123 7.46387 24.3122 -48.7169 -44.4238 7.4639 -44.4239 -49.461 GPRESSAVG: 3536800 56.2321 23.253 8.18268 24.6496 -47.9981 -45.4799 7.84696 -42.6464 -49.9928 TIMING: 3536800 CPU: 10525.7, 0.00297246/step Wall: 10525.7, 0.00297246/step, 1.20814 hours remaining, 208.464844 MB of memory in use. ENERGY: 3536800 788.5866 2123.3932 1919.8430 118.3733 -206456.8736 18124.2808 0.0000 0.0000 34145.7283 -149236.6684 298.2031 -183382.3967 -149132.8738 299.2672 25.2131 51.6434 559358.1842 -13.9310 -13.9196 PRESSURE: 3537000 -102.338 66.8187 25.3823 66.8198 296.782 -86.8959 25.3822 -86.8954 -171.621 GPRESSURE: 3537000 -81.7651 -100.228 22.3152 138.63 310.273 -89.0337 126.919 -64.9222 -127.071 PRESSAVG: 3537000 10.3146 -41.7151 13.4303 -41.7152 -52.3135 -29.5044 13.4303 -29.5044 24.1396 GPRESSAVG: 3537000 10.3221 -42.2837 13.4663 -41.5593 -52.1856 -26.814 11.4813 -31.7092 23.7549 TIMING: 3537000 CPU: 10526.3, 0.00298677/step Wall: 10526.3, 0.00298677/step, 1.21379 hours remaining, 208.464844 MB of memory in use. ENERGY: 3537000 770.0751 2072.6426 1902.6870 109.5259 -205936.6428 17871.2697 0.0000 0.0000 34073.6587 -149136.7839 297.5737 -183210.4425 -149037.6099 298.6290 7.6076 33.8121 560589.8129 -5.9531 -6.0362 PRESSURE: 3537200 13.7817 -195.658 98.4514 -195.658 18.4065 -52.5476 98.4506 -52.5489 -217.213 GPRESSURE: 3537200 42.7172 -231.851 142.65 -171.617 20.0379 -22.7588 147.343 -10.8613 -160.426 PRESSAVG: 3537200 18.0684 -48.1826 -0.735194 -48.1827 -32.5044 10.5786 -0.735124 10.5786 48.618 GPRESSAVG: 3537200 18.3386 -44.9037 0.705682 -47.468 -34.1092 9.80087 0.394183 12.3615 49.2714 TIMING: 3537200 CPU: 10526.9, 0.00297745/step Wall: 10526.9, 0.00297745/step, 1.20984 hours remaining, 208.464844 MB of memory in use. ENERGY: 3537200 740.3068 2124.4659 1931.6701 104.0949 -206072.9703 17753.4589 0.0000 0.0000 34225.6789 -149193.2948 298.9014 -183418.9737 -149098.2889 299.1681 -61.6750 -32.5570 558559.4104 11.3940 11.1669 PRESSURE: 3537400 -47.9551 0.69132 -27.7968 0.691826 133.621 -13.4867 -27.7977 -13.4872 228.529 GPRESSURE: 3537400 9.13512 2.06515 -7.52908 -86.3687 157.418 33.1367 -56.3585 -29.5781 234.129 PRESSAVG: 3537400 -5.83172 20.0132 -7.6889 20.0132 -72.9824 -6.6948 -7.68889 -6.69488 96.5576 GPRESSAVG: 3537400 -5.36799 17.4489 -6.43352 20.2277 -72.6524 -7.42101 -9.23875 -7.29259 95.6527 TIMING: 3537400 CPU: 10527.5, 0.0029491/step Wall: 10527.5, 0.0029491/step, 1.19816 hours remaining, 208.464844 MB of memory in use. ENERGY: 3537400 730.2903 2099.5761 1932.2851 102.5845 -205923.8248 17885.4925 0.0000 0.0000 34197.2497 -148976.3467 298.6531 -183173.5964 -148874.3445 299.3949 104.7315 133.5607 557627.3805 5.9145 5.8774 PRESSURE: 3537600 -107.529 -101.272 -254.017 -101.272 68.8973 -27.7733 -254.016 -27.772 325.004 GPRESSURE: 3537600 -22.7414 -12.4424 -260.58 -93.3721 66.6653 -37.061 -238.097 -26.8241 335.932 PRESSAVG: 3537600 -43.4795 0.50017 -32.7853 0.500204 29.5069 -0.301388 -32.7852 -0.301362 44.1759 GPRESSAVG: 3537600 -45.4925 1.88464 -35.3575 0.514175 30.4798 -0.701604 -30.7783 0.98647 44.6688 TIMING: 3537600 CPU: 10528.1, 0.00297581/step Wall: 10528.1, 0.00297581/step, 1.20884 hours remaining, 208.464844 MB of memory in use. ENERGY: 3537600 734.0679 2111.3425 1925.0337 119.5794 -206043.9405 17857.1115 0.0000 0.0000 34315.3287 -148981.4767 299.6843 -183296.8054 -148884.5375 299.6235 95.4573 126.6187 559327.9404 10.0678 9.8854 PRESSURE: 3537800 -48.5551 74.3245 -44.075 74.3247 -33.8127 145.701 -44.0752 145.7 91.1209 GPRESSURE: 3537800 -28.9938 131.338 -23.6977 67.696 -12.303 147.703 -15.6345 78.0561 138.843 PRESSAVG: 3537800 -73.3046 56.8788 -46.9666 56.8787 -56.2324 -18.4339 -46.9666 -18.4339 90.3746 GPRESSAVG: 3537800 -72.308 56.9903 -47.3254 57.3998 -57.2638 -18.245 -45.8602 -19.9914 90.0231 TIMING: 3537800 CPU: 10528.7, 0.00296952/step Wall: 10528.7, 0.00296952/step, 1.20612 hours remaining, 208.464844 MB of memory in use. ENERGY: 3537800 746.6362 2056.3940 1939.3355 121.0449 -205768.9865 17639.5606 0.0000 0.0000 34167.5236 -149098.4918 298.3935 -183266.0153 -148997.6904 299.4884 2.9177 32.5154 558626.2855 -13.0541 -13.1829 PRESSURE: 3538000 146.069 156.516 19.3151 156.517 -90.8919 70.794 19.3134 70.7941 143.154 GPRESSURE: 3538000 207.123 202.949 77.1263 140.102 -36.3513 -22.7675 88.7731 124.594 118.699 PRESSAVG: 3538000 -45.5867 83.2271 49.786 83.2271 1.55569 29.8719 49.786 29.8718 19.437 GPRESSAVG: 3538000 -45.5035 83.4461 52.1359 82.3715 1.37091 30.0185 47.5663 29.3789 19.6033 TIMING: 3538000 CPU: 10529.3, 0.00294896/step Wall: 10529.3, 0.00294896/step, 1.1976 hours remaining, 208.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3538000 729.1805 2130.8613 1954.6539 115.3785 -206035.5021 17953.1051 0.0000 0.0000 34023.9304 -149128.3924 297.1394 -183152.3228 -149027.9599 299.6936 66.1106 96.4901 558851.3393 -8.1980 -8.1764 PRESSURE: 3538200 -326.173 24.7699 -177.057 24.7705 60.2411 -91.3169 -177.058 -91.3163 -282.871 GPRESSURE: 3538200 -316.947 1.52746 -176.155 92.2941 108.896 -148.912 -180.147 -78.1551 -236.89 PRESSAVG: 3538200 -19.8578 48.6502 -10.2114 48.6502 -29.5568 39.4872 -10.2114 39.4871 6.56234 GPRESSAVG: 3538200 -19.435 48.1827 -11.1457 49.982 -29.4477 39.3149 -10.025 40.6447 6.33088 TIMING: 3538200 CPU: 10529.9, 0.00297567/step Wall: 10529.9, 0.00297567/step, 1.20829 hours remaining, 208.464844 MB of memory in use. ENERGY: 3538200 734.7087 2033.5018 1929.3575 105.2212 -205945.0429 17701.7218 0.0000 0.0000 34298.5512 -149141.9806 299.5378 -183440.5318 -149044.5071 299.4797 -182.9342 -148.3134 558835.8469 -14.2841 -14.1839 PRESSURE: 3538400 -217.892 -100.822 -70.5037 -100.822 -1.13823 159.792 -70.5037 159.79 53.9523 GPRESSURE: 3538400 -152.032 -21.8129 -5.49604 -50.5042 -5.60866 153.991 -91.2652 202.296 78.9947 PRESSAVG: 3538400 -34.8676 -31.2108 -16.7573 -31.2109 59.3091 -3.88611 -16.7573 -3.88613 -21.0007 GPRESSAVG: 3538400 -35.4603 -31.2834 -14.8789 -31.7355 60.8246 -3.54687 -16.6091 -5.73904 -21.4982 TIMING: 3538400 CPU: 10530.5, 0.0030089/step Wall: 10530.5, 0.0030089/step, 1.22161 hours remaining, 208.464844 MB of memory in use. ENERGY: 3538400 716.9930 2078.4463 1943.7061 106.2298 -205772.8335 17654.4172 0.0000 0.0000 34307.9472 -148965.0940 299.6198 -183273.0412 -148868.6192 299.6221 -55.0258 -26.2153 558756.6144 1.1470 1.2887 PRESSURE: 3538600 -249.504 89.7497 -21.0434 89.7497 -55.2756 52.9051 -21.042 52.9036 -270.839 GPRESSURE: 3538600 -218.521 107.624 -15.6907 49.4686 -34.0994 51.7487 47.707 39.7527 -219.156 PRESSAVG: 3538600 -14.4191 -21.6811 -79.1665 -21.6811 70.606 12.1315 -79.1665 12.1316 -39.6867 GPRESSAVG: 3538600 -14.5079 -19.469 -82.9043 -22.4947 68.9429 12.5899 -78.2569 12.588 -37.9686 TIMING: 3538600 CPU: 10531.1, 0.00300008/step Wall: 10531.1, 0.00300009/step, 1.21787 hours remaining, 208.464844 MB of memory in use. ENERGY: 3538600 780.6039 2062.3878 1926.1424 112.5536 -205885.8762 17506.0873 0.0000 0.0000 34698.2483 -148799.8528 303.0284 -183498.1012 -148694.7168 300.1988 -191.8729 -157.2586 559200.6289 5.5000 5.4888 PRESSURE: 3538800 -69.6401 156.561 167.616 156.56 101.434 110.296 167.616 110.296 -542.982 GPRESSURE: 3538800 -86.9636 242.167 234.319 158.203 160.347 94.0259 193.856 151.418 -493.491 PRESSAVG: 3538800 49.7075 -17.9092 7.16588 -17.9092 0.553692 -36.5953 7.16584 -36.5953 -19.515 GPRESSAVG: 3538800 49.0777 -19.5928 10.7373 -19.9862 0.887405 -37.3269 6.64014 -37.3069 -19.44 TIMING: 3538800 CPU: 10531.7, 0.0029775/step Wall: 10531.7, 0.0029775/step, 1.20853 hours remaining, 208.464844 MB of memory in use. ENERGY: 3538800 731.3361 2076.5801 1932.1725 108.3266 -205575.8573 17523.8674 0.0000 0.0000 34278.7613 -148924.8133 299.3649 -183203.5746 -148828.8431 300.3058 -170.3962 -140.0358 558583.0249 10.2487 10.1750 PRESSURE: 3539000 -94.0416 174.25 -83.5959 174.251 -10.1234 13.9449 -83.5966 13.945 257.317 GPRESSURE: 3539000 -14.1031 178.201 -18.7838 202.449 10.8145 78.3251 -95.828 -5.48398 247.423 PRESSAVG: 3539000 -62.2675 24.5788 -31.8614 24.5789 111.509 -32.6215 -31.8615 -32.6215 -46.3227 GPRESSAVG: 3539000 -61.6231 23.7722 -32.0138 25.92 111.747 -31.1907 -31.9225 -31.0699 -46.9617 TIMING: 3539000 CPU: 10532.3, 0.00296208/step Wall: 10532.3, 0.00296208/step, 1.20211 hours remaining, 208.464844 MB of memory in use. ENERGY: 3539000 748.2704 2086.9205 1969.0932 121.3857 -206156.7190 17863.6004 0.0000 0.0000 34437.6664 -148929.7823 300.7527 -183367.4487 -148844.9632 300.1488 51.0506 81.3783 556312.6343 0.9730 1.0541 PRESSURE: 3539200 -137.375 18.523 119.231 18.5231 -23.5277 68.435 119.231 68.435 118.574 GPRESSURE: 3539200 -77.5536 -62.0572 137.167 18.7419 65.991 88.0091 78.5281 -29.0477 66.9349 PRESSAVG: 3539200 -37.0395 25.4538 42.2313 25.4538 26.0559 15.2096 42.2314 15.2097 -14.7954 GPRESSAVG: 3539200 -36.6828 24.4508 39.1422 28.4612 24.9666 13.8042 43.0633 14.5932 -13.7421 TIMING: 3539200 CPU: 10532.9, 0.0029626/step Wall: 10532.9, 0.0029626/step, 1.20216 hours remaining, 208.464844 MB of memory in use. ENERGY: 3539200 774.9468 2064.0016 1939.2943 113.2535 -206189.7667 17882.7728 0.0000 0.0000 34418.5542 -148996.9435 300.5858 -183415.4977 -148903.8911 300.6895 -14.1096 18.4574 556259.9901 -8.5930 -8.4861 PRESSURE: 3539400 -73.0033 -128.098 115.544 -128.099 -172.652 86.0296 115.543 86.029 -134.208 GPRESSURE: 3539400 -73.3489 -113.227 80.1234 -57.8035 -86.9406 93.1599 68.4207 2.13632 -107.609 PRESSAVG: 3539400 -18.1822 -25.4347 -26.2772 -25.4347 -25.9151 28.5543 -26.2772 28.5544 2.52709 GPRESSAVG: 3539400 -17.4683 -23.725 -24.4017 -28.5622 -25.6156 28.384 -27.1588 27.9575 0.938886 TIMING: 3539400 CPU: 10533.5, 0.00296172/step Wall: 10533.5, 0.00296172/step, 1.20164 hours remaining, 208.464844 MB of memory in use. ENERGY: 3539400 714.8483 2089.4438 1940.7521 117.6940 -205671.0556 17466.2919 0.0000 0.0000 34483.3403 -148858.6851 301.1516 -183342.0254 -148760.0177 300.6221 -126.6213 -89.2993 556446.5937 -13.8567 -14.0483 PRESSURE: 3539600 27.6725 28.0142 -141.546 28.0136 94.3446 -81.5224 -141.547 -81.523 -134.184 GPRESSURE: 3539600 35.2782 67.0328 -114.158 39.5378 139.9 -6.88418 -82.8524 -88.3498 -87.9234 PRESSAVG: 3539600 7.57544 34.8477 -24.6766 34.8477 -29.0878 -6.85842 -24.6767 -6.85832 29.3967 GPRESSAVG: 3539600 6.20309 35.1478 -25.6958 34.5069 -28.3349 -6.84071 -22.9924 -6.68122 30.2295 TIMING: 3539600 CPU: 10534.1, 0.00295996/step Wall: 10534.1, 0.00295996/step, 1.20076 hours remaining, 208.464844 MB of memory in use. ENERGY: 3539600 750.8748 2105.8031 1926.2268 107.4239 -205904.6748 17785.2776 0.0000 0.0000 34263.9637 -148965.1048 299.2357 -183229.0685 -148856.5149 300.5520 -4.0555 29.0851 556187.4440 2.6281 2.6992 PRESSURE: 3539800 -249.204 179.77 -90.1495 179.771 3.82004 -151.145 -90.149 -151.143 -34.4943 GPRESSURE: 3539800 -258.181 134.438 -80.1003 234.909 68.3884 -118.471 -42.9867 -247.621 0.069083 PRESSAVG: 3539800 -14.491 30.4655 13.4982 30.4655 33.0193 -54.5998 13.4981 -54.5998 -16.7436 GPRESSAVG: 3539800 -13.9507 30.3803 14.6449 32.1936 33.0372 -53.9231 13.484 -53.2926 -17.477 TIMING: 3539800 CPU: 10534.7, 0.00297252/step Wall: 10534.7, 0.00297252/step, 1.20569 hours remaining, 208.464844 MB of memory in use. ENERGY: 3539800 783.2509 2105.3658 1937.8940 109.0057 -205716.0642 17571.9907 0.0000 0.0000 34335.9548 -148872.6024 299.8644 -183208.5572 -148774.0688 300.5113 -93.2929 -63.2411 557990.1497 0.5949 0.5365 PRESSURE: 3540000 -30.4751 94.9458 49.5582 94.9451 -176.511 138.621 49.5584 138.621 66.6232 GPRESSURE: 3540000 -8.86107 115.456 100.615 106.347 -136.73 138.655 22.7149 190.867 99.0625 PRESSAVG: 3540000 -5.2551 64.0823 24.6691 64.0823 -34.0967 62.3666 24.669 62.3668 24.1702 GPRESSAVG: 3540000 -5.59558 61.635 25.4055 64.7903 -33.1962 61.9391 22.745 61.462 24.2953 TIMING: 3540000 CPU: 10535.3, 0.0029517/step Wall: 10535.3, 0.0029517/step, 1.19708 hours remaining, 208.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3540000 752.0075 2116.8523 1942.8312 105.9255 -206092.2246 17759.0624 0.0000 0.0000 34391.6605 -149023.8853 300.3509 -183415.5458 -148932.5113 299.8783 -46.7875 -15.5095 557721.8063 -5.0605 -4.8322 PRESSURE: 3540200 221.764 -127.697 -90.6775 -127.697 278.495 150.36 -90.6782 150.36 -109.323 GPRESSURE: 3540200 230.105 -151.156 -18.2623 -129.166 316.153 226.132 -187.011 44.1069 -56.1006 PRESSAVG: 3540200 -6.07816 -2.31762 -21.9129 -2.31776 43.0022 57.5864 -21.9129 57.5864 -63.0754 GPRESSAVG: 3540200 -6.08009 -1.62304 -24.0481 -2.31585 41.829 58.2391 -19.5499 57.8019 -62.2603 TIMING: 3540200 CPU: 10535.8, 0.0029464/step Wall: 10535.8, 0.0029464/step, 1.19476 hours remaining, 208.464844 MB of memory in use. ENERGY: 3540200 736.0039 2072.7924 1910.6169 107.6096 -206427.9583 18082.1324 0.0000 0.0000 34346.0506 -149172.7525 299.9526 -183518.8031 -149078.0507 299.5101 130.3119 163.3856 557330.8284 -8.7171 -8.8371 LDB: ============= START OF LOAD BALANCING ============== 10539.4 LDB: ============== END OF LOAD BALANCING =============== 10539.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10539.4 LDB: ============= START OF LOAD BALANCING ============== 10539.7 LDB: Largest compute 4772 load 0.024330 is 20.6% of average load 0.118268 LDB: Average compute 0.001737 is 1.5% of average load 0.118268 LDB: TIME 10539.7 LOAD: AVG 0.118268 MAX 0.198168 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.176 MB LDB: TIME 10539.7 LOAD: AVG 0.118268 MAX 0.198168 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.379 MB LDB: TIME 10539.7 LOAD: AVG 0.118268 MAX 0.198168 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.379 MB LDB: ============== END OF LOAD BALANCING =============== 10539.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10539.7 PRESSURE: 3540400 -102.531 24.4506 -72.7059 24.4499 -84.5416 44.0541 -72.7045 44.0543 96.724 GPRESSURE: 3540400 -53.5067 36.1401 -37.6553 33.7068 -24.1306 33.8631 -67.8127 89.3729 92.0295 PRESSAVG: 3540400 -44.3255 17.4328 -44.6257 17.4328 77.2738 26.2747 -44.6258 26.2748 -11.0623 GPRESSAVG: 3540400 -44.5964 20.8173 -42.4206 14.9603 77.3166 24.5852 -47.1212 27.7548 -10.9962 TIMING: 3540400 CPU: 10536.4, 0.00301059/step Wall: 10536.4, 0.00301059/step, 1.22063 hours remaining, 206.031250 MB of memory in use. ENERGY: 3540400 751.1932 2079.4423 1950.9499 106.4801 -206017.2213 17676.7469 0.0000 0.0000 34242.6954 -149209.7135 299.0500 -183452.4089 -149107.6967 299.3262 -30.1161 4.7974 556451.8893 7.2953 7.2413 PRESSURE: 3540600 -19.1191 12.8453 77.1348 12.8456 155.923 153.171 77.1335 153.169 152.09 GPRESSURE: 3540600 21.6225 9.62342 31.2965 104.368 165.199 207.563 72.5663 89.2924 201.936 PRESSAVG: 3540600 -59.2413 34.709 -2.34666 34.7091 72.3368 -3.00588 -2.3467 -3.006 17.7476 GPRESSAVG: 3540600 -60.1483 34.3486 -2.88751 34.2604 71.5964 -1.62123 -0.826092 -4.67358 18.5778 TIMING: 3540600 CPU: 10537, 0.0029565/step Wall: 10537, 0.0029565/step, 1.19853 hours remaining, 206.031250 MB of memory in use. ENERGY: 3540600 776.4243 2109.2819 1963.0364 115.8114 -206594.2442 18178.2075 0.0000 0.0000 34191.0245 -149260.4582 298.5987 -183451.4827 -149166.0263 299.2320 96.2981 129.5859 555698.4758 10.2810 10.0087 PRESSURE: 3540800 67.6195 19.8334 -7.68378 19.8327 -1.41949 31.6605 -7.68454 31.6603 -164.937 GPRESSURE: 3540800 141.654 67.2794 -71.739 -12.4534 -7.57393 34.9355 121.839 60.8251 -123.947 PRESSAVG: 3540800 18.0448 27.608 -18.9661 27.6079 1.27741 31.0813 -18.9661 31.0814 18.9186 GPRESSAVG: 3540800 20.3911 27.0119 -19.7493 28.2515 0.756063 30.6744 -19.6614 31.1589 17.2308 TIMING: 3540800 CPU: 10537.6, 0.00293411/step Wall: 10537.6, 0.00293411/step, 1.18929 hours remaining, 206.031250 MB of memory in use. ENERGY: 3540800 713.7707 2084.9676 1939.0002 100.1215 -206046.2127 17664.3783 0.0000 0.0000 34155.9676 -149388.0068 298.2926 -183543.9743 -149279.7491 298.8444 -32.9122 3.3776 557747.4001 12.7469 12.7927 PRESSURE: 3541000 -70.626 28.9095 -215.288 28.9094 -55.6134 101.937 -215.287 101.937 327.762 GPRESSURE: 3541000 -48.1727 18.7652 -200.029 -52.6914 -7.4945 49.7147 -84.0921 153.578 364.536 PRESSAVG: 3541000 -26.9592 4.46368 14.4344 4.46371 46.3424 61.9799 14.4345 61.98 -13.0043 GPRESSAVG: 3541000 -28.309 4.0261 14.9957 5.92521 47.7847 60.2906 16.3755 61.5871 -12.8985 TIMING: 3541000 CPU: 10538.2, 0.00294109/step Wall: 10538.2, 0.00294109/step, 1.19196 hours remaining, 206.031250 MB of memory in use. ENERGY: 3541000 757.0648 2127.6948 1920.6602 119.7198 -206099.6972 17849.0802 0.0000 0.0000 33991.1083 -149334.3691 296.8528 -183325.4774 -149251.9482 298.8906 67.1741 102.9562 557269.3851 2.1263 2.1924 PRESSURE: 3541200 -54.6125 -80.6858 38.5413 -80.6845 122.89 39.6958 38.5412 39.6953 114.566 GPRESSURE: 3541200 -5.73585 -115.238 117.408 -64.7919 168.514 63.9498 -88.4481 -3.99538 113.299 PRESSAVG: 3541200 -32.1381 -64.6478 -10.141 -64.6478 -55.6259 -35.8471 -10.141 -35.8471 43.056 GPRESSAVG: 3541200 -32.9158 -64.5122 -9.57418 -64.8288 -56.634 -32.8214 -12.6473 -36.7818 44.1625 TIMING: 3541200 CPU: 10538.8, 0.00296499/step Wall: 10538.8, 0.00296499/step, 1.20148 hours remaining, 206.031250 MB of memory in use. ENERGY: 3541200 742.4284 2040.9550 1908.2984 105.1077 -206502.8813 18085.3604 0.0000 0.0000 34213.3928 -149407.3386 298.7941 -183620.7314 -149305.0086 298.7918 60.9478 92.0256 557046.3018 -14.9027 -15.1291 PRESSURE: 3541400 -84.6659 63.5171 186.679 63.5166 -82.9281 162.519 186.679 162.52 62.3042 GPRESSURE: 3541400 -71.4349 25.7387 184.618 86.4508 -33.0689 208.584 185.04 126.351 101.742 PRESSAVG: 3541400 3.49966 3.00766 24.0223 3.00766 -35.8795 42.7459 24.0223 42.7458 -9.20321 GPRESSAVG: 3541400 3.19561 0.0591876 22.9414 1.55464 -35.0274 41.9368 25.6427 44.3426 -9.43095 TIMING: 3541400 CPU: 10539.4, 0.00296636/step Wall: 10539.4, 0.00296636/step, 1.20187 hours remaining, 206.031250 MB of memory in use. ENERGY: 3541400 747.7861 2112.9813 1907.1565 117.8234 -206209.8653 17819.7013 0.0000 0.0000 34051.4330 -149452.9837 297.3796 -183504.4167 -149361.8864 297.9298 -35.0966 -0.9206 557543.0484 -13.8610 -13.7543 PRESSURE: 3541600 127.506 -146.568 -65.2857 -146.567 64.0895 -49.4858 -65.2867 -49.4863 -165.973 GPRESSURE: 3541600 193.557 -116.333 -137.602 -132.3 34.161 34.3614 -57.88 -5.3697 -114.224 PRESSAVG: 3541600 -13.3367 36.5356 -37.8238 36.5356 -25.0139 14.7985 -37.8238 14.7985 41.7155 GPRESSAVG: 3541600 -13.5997 38.5874 -36.648 36.821 -24.2736 13.7068 -38.7683 15.1119 41.5334 TIMING: 3541600 CPU: 10540, 0.00295942/step Wall: 10540, 0.00295942/step, 1.19889 hours remaining, 206.031250 MB of memory in use. ENERGY: 3541600 737.4978 2055.2103 1942.8775 106.3076 -205885.3069 17694.6996 0.0000 0.0000 34029.9340 -149318.7803 297.1919 -183348.7142 -149217.2220 299.0414 8.5409 37.8314 556577.6409 1.1217 1.2200 PRESSURE: 3541800 110.178 86.7951 114.222 86.7943 -171.086 68.7274 114.222 68.728 -149.639 GPRESSURE: 3541800 141.99 88.4693 128.435 33.6366 -113.372 83.642 94.8156 13.92 -133.403 PRESSAVG: 3541800 30.1693 -4.72031 -26.9718 -4.7203 -21.2982 27.7378 -26.9717 27.7378 5.50037 GPRESSAVG: 3541800 29.5264 -4.52949 -26.6474 -4.54446 -20.5882 28.0197 -27.8778 26.5998 5.60772 TIMING: 3541800 CPU: 10540.6, 0.00293256/step Wall: 10540.6, 0.00293256/step, 1.18785 hours remaining, 206.031250 MB of memory in use. ENERGY: 3541800 771.8984 2143.2878 1954.8347 115.1837 -206382.2548 17753.3052 0.0000 0.0000 34341.5796 -149302.1654 299.9136 -183643.7450 -149220.5665 298.8333 -70.1823 -34.9284 556923.4900 4.7905 4.8486 PRESSURE: 3542000 99.6919 53.8621 -33.4234 53.8603 30.892 -0.88094 -33.423 -0.881871 52.1146 GPRESSURE: 3542000 147.318 34.6378 -61.0934 122.504 58.1489 90.4395 27.9816 -31.8848 65.7895 PRESSAVG: 3542000 14.0838 45.3508 9.01513 45.3508 -56.3083 -2.87037 9.01509 -2.87032 -25.0446 GPRESSAVG: 3542000 14.6356 44.2792 7.83458 43.9418 -57.0755 -2.72228 10.4609 -3.72962 -24.3518 TIMING: 3542000 CPU: 10541.2, 0.00295142/step Wall: 10541.2, 0.00295142/step, 1.19532 hours remaining, 206.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3542000 745.0326 2069.5258 1942.2496 118.8291 -206142.1558 17899.8140 0.0000 0.0000 34392.9406 -148973.7641 300.3621 -183366.7046 -148885.9371 300.1211 60.8995 90.4189 557509.2992 -22.4230 -22.2639 PRESSURE: 3542200 374.577 -26.3912 -52.7086 -26.392 233.494 -74.4334 -52.7082 -74.4328 128.259 GPRESSURE: 3542200 459.447 -17.4221 -46.0239 -123.345 233.797 -53.2005 -10.2903 -99.1558 142.702 PRESSAVG: 3542200 7.75419 -19.6708 -5.64002 -19.6708 52.3958 48.1137 -5.63999 48.1136 -18.8083 GPRESSAVG: 3542200 8.20337 -19.09 -4.65985 -19.6635 53.3978 49.5725 -6.16085 46.6659 -20.3379 TIMING: 3542200 CPU: 10541.8, 0.00293724/step Wall: 10541.8, 0.00293724/step, 1.18942 hours remaining, 206.031250 MB of memory in use. ENERGY: 3542200 701.6355 2054.8863 1928.9145 118.1198 -206306.2134 18197.2093 0.0000 0.0000 34278.4225 -149027.0254 299.3620 -183305.4479 -148933.9359 300.2744 245.4433 278.6486 558513.7679 13.7806 13.7544 PRESSURE: 3542400 -127.788 28.4895 83.1362 28.4888 -46.2944 257.266 83.1341 257.266 -272.644 GPRESSURE: 3542400 -86.4288 18.7139 35.1028 53.5585 -20.0869 282.963 95.7913 249.138 -249.833 PRESSAVG: 3542400 34.5997 30.5987 -22.2363 30.5988 34.1586 6.61226 -22.2365 6.61213 -16.9827 GPRESSAVG: 3542400 35.8531 31.3338 -22.8706 33.3319 34.3769 4.63192 -20.2829 11.2679 -18.3435 TIMING: 3542400 CPU: 10542.3, 0.00293309/step Wall: 10542.3, 0.00293309/step, 1.18758 hours remaining, 206.031250 MB of memory in use. ENERGY: 3542400 761.0849 2085.2581 1928.9124 116.0296 -205827.4050 17693.8054 0.0000 0.0000 34265.8973 -148976.4173 299.2526 -183242.3146 -148872.7765 299.6365 -148.9089 -118.7827 559501.9732 17.2585 17.2955 PRESSURE: 3542600 -54.8747 -140.153 -70.8405 -140.154 220.228 -68.7483 -70.841 -68.7495 107.657 GPRESSURE: 3542600 -50.6119 -105.797 -104.799 -191.278 267.536 -14.4135 -67.8835 -43.6298 153.238 PRESSAVG: 3542600 -32.8493 -0.0689175 -21.926 -0.0690081 55.9524 -1.08017 -21.926 -1.08022 2.55536 GPRESSAVG: 3542600 -32.5295 -0.901831 -19.5896 -1.17732 54.6148 -0.12474 -23.3231 -3.58086 3.91877 TIMING: 3542600 CPU: 10542.9, 0.00292334/step Wall: 10542.9, 0.00292334/step, 1.18346 hours remaining, 206.031250 MB of memory in use. ENERGY: 3542600 744.8868 2083.6897 1976.9949 130.9123 -206118.6894 17948.0712 0.0000 0.0000 34194.2144 -149039.9202 298.6266 -183234.1346 -148944.7513 299.5459 91.0035 123.3873 558287.1347 8.5528 8.6680 PRESSURE: 3542800 -241.054 7.08123 -37.8956 7.08071 -259.417 76.2133 -37.8947 76.2146 -382.326 GPRESSURE: 3542800 -170.511 -61.0614 -80.8702 56.0192 -263.898 141.346 41.7522 11.2129 -358.316 PRESSAVG: 3542800 -44.4953 -1.06177 -73.6629 -1.06162 56.7339 -38.3081 -73.6629 -38.308 -2.68664 GPRESSAVG: 3542800 -45.3783 -1.0415 -75.7663 -2.32946 58.0736 -36.5464 -73.0156 -38.609 -3.41485 TIMING: 3542800 CPU: 10543.5, 0.00294161/step Wall: 10543.5, 0.00294161/step, 1.1907 hours remaining, 206.031250 MB of memory in use. ENERGY: 3542800 766.2337 2162.7090 1930.9266 109.2715 -206107.4173 17598.9933 0.0000 0.0000 34394.9429 -149144.3404 300.3796 -183539.2833 -149044.3898 300.0719 -294.2656 -264.2417 559879.7983 3.1840 3.0935 PRESSURE: 3543000 -200.616 108.425 -94.2798 108.425 -21.5941 21.0881 -94.2816 21.0898 -257.802 GPRESSURE: 3543000 -151.777 77.2141 -73.9229 74.3727 8.4926 82.2883 -64.15 -97.2798 -234.191 PRESSAVG: 3543000 20.9004 -2.73817 -32.5016 -2.73822 37.8013 -17.8313 -32.5015 -17.8313 -62.4007 GPRESSAVG: 3543000 21.9003 -3.02245 -30.7095 -2.52378 36.4929 -18.0891 -31.8715 -19.7289 -62.1429 TIMING: 3543000 CPU: 10544.1, 0.00294658/step Wall: 10544.1, 0.00294658/step, 1.19255 hours remaining, 206.031250 MB of memory in use. ENERGY: 3543000 752.7779 2100.8111 1930.5303 118.1163 -206417.4825 17731.2347 0.0000 0.0000 34469.3852 -149314.6269 301.0297 -183784.0122 -149225.1110 299.8301 -160.0038 -125.8253 558019.2027 -1.2330 -1.2499 PRESSURE: 3543200 241.595 -122.504 125.607 -122.505 -23.7643 -20.759 125.607 -20.7589 119.574 GPRESSURE: 3543200 234.98 -139.677 110.57 -129.863 71.4209 -34.1532 77.5702 68.0638 121.148 PRESSAVG: 3543200 39.115 -1.77334 -73.7306 -1.77336 85.6484 -11.6803 -73.7305 -11.6803 -78.3703 GPRESSAVG: 3543200 38.0272 -2.06931 -74.3942 -1.86747 86.7102 -15.0405 -76.4077 -8.69054 -78.081 TIMING: 3543200 CPU: 10544.7, 0.00294981/step Wall: 10544.7, 0.00294981/step, 1.19369 hours remaining, 206.031250 MB of memory in use. ENERGY: 3543200 755.7637 1970.8254 1936.5240 105.9620 -206468.0381 18031.2123 0.0000 0.0000 34315.5541 -149352.1965 299.6863 -183667.7506 -149255.0233 299.4292 112.4682 142.5165 557933.0748 15.4643 15.5521 PRESSURE: 3543400 -351.939 -4.97535 -103.711 -4.97566 -43.8615 63.2842 -103.71 63.2851 -181.175 GPRESSURE: 3543400 -275.885 47.664 -205.833 4.42751 -24.9077 41.8014 -74.7039 -50.4797 -185.997 PRESSAVG: 3543400 -9.81015 12.9962 -5.30164 12.9962 45.6471 0.990349 -5.30161 0.9903 -48.6008 GPRESSAVG: 3543400 -9.28938 13.3475 -6.87712 12.8603 45.9772 1.45285 -5.04223 1.79986 -49.1706 TIMING: 3543400 CPU: 10545.3, 0.00296893/step Wall: 10545.3, 0.00296893/step, 1.20126 hours remaining, 206.031250 MB of memory in use. ENERGY: 3543400 785.3262 2016.0110 1935.7655 104.4806 -206038.2726 17616.0504 0.0000 0.0000 34320.1181 -149260.5207 299.7261 -183580.6388 -149160.6761 298.9958 -192.3253 -162.2631 558471.2317 -4.2546 -4.1609 PRESSURE: 3543600 -187.491 48.8772 39.8483 48.8765 -41.0922 -5.35373 39.8473 -5.35443 129.215 GPRESSURE: 3543600 -120.604 94.54 71.9226 28.132 25.21 28.7571 77.6325 67.6314 85.6201 PRESSAVG: 3543600 -22.4878 -11.6263 20.205 -11.6264 82.2868 -40.47 20.205 -40.47 -72.2533 GPRESSAVG: 3543600 -23.8088 -11.6069 20.5497 -10.3915 81.8394 -38.7416 21.3816 -41.3975 -70.9222 TIMING: 3543600 CPU: 10545.9, 0.00296697/step Wall: 10545.9, 0.00296697/step, 1.20031 hours remaining, 206.031250 MB of memory in use. ENERGY: 3543600 751.0358 2119.8682 1935.4360 114.1020 -206060.8834 17734.8717 0.0000 0.0000 33964.6909 -149440.8789 296.6221 -183405.5697 -149346.6774 298.7607 -33.1228 -3.2580 557414.0614 -4.1514 -4.2972 PRESSURE: 3543800 -40.7094 2.49153 104.536 2.49087 342.36 -136.977 104.536 -136.976 29.6872 GPRESSURE: 3543800 -43.5704 50.7846 143.473 -1.0534 378.812 -54.7026 0.310439 -159.49 95.7618 PRESSAVG: 3543800 -9.96673 -14.8557 19.6593 -14.8557 38.0374 30.6129 19.6593 30.6129 -60.0824 GPRESSAVG: 3543800 -9.44747 -16.8789 19.056 -14.3731 38.3224 31.9111 19.2029 29.1361 -61.1254 TIMING: 3543800 CPU: 10546.5, 0.00295338/step Wall: 10546.5, 0.00295338/step, 1.19464 hours remaining, 206.031250 MB of memory in use. ENERGY: 3543800 737.1368 2078.4769 1953.1422 111.1628 -206534.4251 18007.0791 0.0000 0.0000 34326.1556 -149321.2717 299.7789 -183647.4273 -149227.3661 298.6922 110.4458 143.6678 556785.9073 -10.6706 -10.7502 PRESSURE: 3544000 131.75 -83.3961 -56.0977 -83.3955 197.997 128.61 -56.0977 128.609 143.389 GPRESSURE: 3544000 208.835 -54.6086 4.04005 -35.0154 257.026 99.4507 -102.241 176.544 103.965 PRESSAVG: 3544000 4.31833 57.2787 9.23634 57.2787 -15.2994 -22.2616 9.2363 -22.2615 33.7962 GPRESSAVG: 3544000 5.50388 58.7427 9.36354 57.2713 -16.8838 -24.9562 10.3072 -20.5586 33.885 TIMING: 3544000 CPU: 10547.1, 0.00294601/step Wall: 10547.1, 0.00294601/step, 1.1915 hours remaining, 206.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3544000 752.4987 2105.4045 1933.6120 120.2195 -206377.0666 17813.7024 0.0000 0.0000 34464.0257 -149187.6037 300.9829 -183651.6295 -149096.4751 299.7006 157.7119 189.9422 556099.6555 7.6050 7.5017 PRESSURE: 3544200 -39.9493 -141.376 113.472 -141.377 293.119 230.079 113.472 230.08 180.165 GPRESSURE: 3544200 14.3392 -131.474 154.465 -186.554 310.709 183.701 90.5811 269.052 210.637 PRESSAVG: 3544200 26.5341 21.1133 60.6176 21.1135 8.40868 51.0441 60.6175 51.0442 -24.8744 GPRESSAVG: 3544200 24.9068 23.0863 60.2859 20.1586 9.05425 50.8982 58.5993 50.6491 -24.4157 TIMING: 3544200 CPU: 10547.6, 0.00296002/step Wall: 10547.6, 0.00296002/step, 1.197 hours remaining, 206.031250 MB of memory in use. ENERGY: 3544200 702.9315 2049.5037 1960.3130 111.0262 -206433.6616 18033.0612 0.0000 0.0000 34184.4959 -149392.3302 298.5417 -183576.8261 -149291.0183 299.5920 144.4450 178.5619 556632.6464 3.3561 3.1818 LDB: ============= START OF LOAD BALANCING ============== 10551.2 LDB: ============== END OF LOAD BALANCING =============== 10551.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10551.2 LDB: ============= START OF LOAD BALANCING ============== 10551.5 LDB: Largest compute 4772 load 0.022956 is 19.4% of average load 0.118191 LDB: Average compute 0.001738 is 1.5% of average load 0.118191 LDB: TIME 10551.5 LOAD: AVG 0.118191 MAX 0.197828 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.543 MB LDB: TIME 10551.5 LOAD: AVG 0.118191 MAX 0.197828 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: TIME 10551.5 LOAD: AVG 0.118191 MAX 0.197828 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10551.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10551.5 PRESSURE: 3544400 -0.345169 34.9508 -39.6776 34.9512 -31.3138 -14.8632 -39.6784 -14.8638 246.399 GPRESSURE: 3544400 83.1524 65.6398 70.3018 -41.585 -21.52 -12.2954 -149.918 7.42441 245.564 PRESSAVG: 3544400 -45.8916 13.1551 18.5884 13.155 5.70309 40.1491 18.5884 40.1492 73.6509 GPRESSAVG: 3544400 -45.3785 12.5848 20.8873 13.2686 4.77547 42.3695 18.8437 41.6402 74.0826 TIMING: 3544400 CPU: 10548.3, 0.0030176/step Wall: 10548.3, 0.0030176/step, 1.22012 hours remaining, 206.542969 MB of memory in use. ENERGY: 3544400 722.5436 2141.5131 1943.7504 107.1990 -206406.2708 18096.1558 0.0000 0.0000 34057.4532 -149337.6556 297.4322 -183395.1089 -149244.9706 299.4438 71.5799 102.3987 558052.0788 11.1541 11.1599 PRESSURE: 3544600 35.5088 57.637 -39.2993 57.6377 -246.208 -92.513 -39.2997 -92.5137 -168.603 GPRESSURE: 3544600 78.3315 -55.932 -62.4415 77.5109 -227.077 -55.2315 20.2594 -15.5497 -134.383 PRESSAVG: 3544600 27.7135 -27.6351 58.7715 -27.635 -49.2199 -17.2226 58.7714 -17.2227 33.264 GPRESSAVG: 3544600 27.9636 -29.3619 56.8294 -25.5705 -48.9585 -17.6081 61.4946 -20.5729 32.1714 TIMING: 3544600 CPU: 10548.8, 0.00295556/step Wall: 10548.8, 0.00295556/step, 1.19487 hours remaining, 206.746094 MB of memory in use. ENERGY: 3544600 755.1704 2095.1593 1910.2772 110.9544 -206304.4363 17721.3078 0.0000 0.0000 34201.1301 -149510.4371 298.6870 -183711.5672 -149415.0208 299.0144 -126.4340 -94.3760 558214.2826 3.9192 3.7255 PRESSURE: 3544800 71.5121 -93.6647 -288.559 -93.6646 144.342 38.3774 -288.56 38.3771 87.0776 GPRESSURE: 3544800 78.6115 -84.8973 -243.995 -45.9356 177.594 55.5698 -172.856 34.8791 149.238 PRESSAVG: 3544800 36.9586 -0.778195 -11.7824 -0.778132 -40.9586 -15.4451 -11.7824 -15.445 3.03516 GPRESSAVG: 3544800 36.3848 1.91045 -10.138 -1.59472 -41.175 -13.6896 -13.6783 -14.5647 3.46345 TIMING: 3544800 CPU: 10549.4, 0.00296156/step Wall: 10549.4, 0.00296156/step, 1.19713 hours remaining, 206.746094 MB of memory in use. ENERGY: 3544800 737.8242 2048.9627 1887.0032 119.2006 -206584.9598 18020.1076 0.0000 0.0000 34245.2290 -149526.6325 299.0721 -183771.8615 -149428.9830 298.8508 100.9773 135.1477 556437.1167 -0.3216 -0.4422 PRESSURE: 3545000 40.0462 -3.73452 -89.5069 -3.73318 340.887 94.9019 -89.506 94.901 -9.03579 GPRESSURE: 3545000 -14.2518 -89.849 19.5764 6.06162 378.696 90.1534 -127.013 53.4399 102.426 PRESSAVG: 3545000 44.8609 30.3373 45.4825 30.3372 -19.4242 -0.474811 45.4825 -0.474783 1.84716 GPRESSAVG: 3545000 44.9407 27.8543 45.5282 30.4095 -19.2472 -3.06899 45.9848 -1.10972 1.65092 TIMING: 3545000 CPU: 10550, 0.00295777/step Wall: 10550, 0.00295777/step, 1.19543 hours remaining, 206.746094 MB of memory in use. ENERGY: 3545000 741.4095 2071.9714 1917.8418 117.6754 -206702.4166 18107.7901 0.0000 0.0000 34161.4787 -149584.2497 298.3407 -183745.7284 -149490.4313 298.7689 123.9658 155.6232 556950.9178 9.0946 9.1148 PRESSURE: 3545200 -133.508 -29.4982 97.9578 -29.4972 -137.721 181.731 97.9574 181.731 -319.109 GPRESSURE: 3545200 -162.419 -40.5297 49.274 61.184 -92.2365 69.9853 134.17 134.838 -229.685 PRESSAVG: 3545200 79.3892 -66.0609 34.8282 -66.0609 -38.9299 48.1219 34.8282 48.122 -30.2826 GPRESSAVG: 3545200 77.967 -63.4945 34.3544 -65.2507 -37.9694 49.6941 33.5882 48.2442 -30.0356 TIMING: 3545200 CPU: 10550.6, 0.00294765/step Wall: 10550.6, 0.00294765/step, 1.19118 hours remaining, 206.746094 MB of memory in use. ENERGY: 3545200 736.8454 2070.7415 1919.1965 102.9624 -206151.6603 17693.0781 0.0000 0.0000 34110.4867 -149518.3498 297.8954 -183628.8365 -149429.8928 298.3672 -196.7795 -161.4467 559747.8515 3.3922 3.3207 PRESSURE: 3545400 -103.438 -14.9838 -66.1599 -14.9844 -238.807 32.4423 -66.1608 32.4419 -54.9759 GPRESSURE: 3545400 -38.6722 43.8313 -60.3813 -96.5313 -250.781 2.40678 -137.213 65.202 -20.7236 PRESSAVG: 3545400 32.1519 -40.0692 -0.514804 -40.0692 -1.61677 12.7345 -0.514723 12.7343 -59.385 GPRESSAVG: 3545400 33.7555 -41.8789 1.2313 -40.7078 -3.22918 13.1874 -0.221317 14.4597 -58.8747 TIMING: 3545400 CPU: 10551.2, 0.00296183/step Wall: 10551.2, 0.00296183/step, 1.19674 hours remaining, 206.746094 MB of memory in use. ENERGY: 3545400 763.4325 2087.0720 1898.4647 122.5780 -206006.6232 17566.2172 0.0000 0.0000 34169.7571 -149399.1016 298.4130 -183568.8588 -149312.1736 298.8048 -132.4070 -103.3924 558790.8304 -9.6166 -9.4495 PRESSURE: 3545600 -216.125 16.2553 -7.09311 16.2544 -336.987 -161.099 -7.09125 -161.099 -22.4328 GPRESSURE: 3545600 -155.49 -69.2629 51.5057 91.2229 -311.297 -196.985 -17.7465 -119.207 -16.8081 PRESSAVG: 3545600 20.2191 6.80111 -22.4316 6.80106 5.35941 -37.9205 -22.4316 -37.9207 -2.70932 GPRESSAVG: 3545600 20.2917 6.82855 -23.3354 6.34458 6.29364 -38.742 -22.3823 -38.6149 -3.45681 TIMING: 3545600 CPU: 10551.8, 0.002958/step Wall: 10551.8, 0.002958/step, 1.19503 hours remaining, 206.746094 MB of memory in use. ENERGY: 3545600 770.4760 2041.9342 1906.8289 111.8383 -206079.0765 17720.4688 0.0000 0.0000 34096.5034 -149431.0269 297.7732 -183527.5303 -149337.8475 298.2389 -191.8481 -161.1985 559028.3459 7.6231 7.7095 PRESSURE: 3545800 -188.695 30.1124 65.7736 30.1131 164.145 49.949 65.773 49.9488 -163.301 GPRESSURE: 3545800 -120.518 40.4478 119.312 -39.7543 184.258 149.954 76.3365 45.6518 -150.584 PRESSAVG: 3545800 37.0877 -21.7392 3.36391 -21.7393 4.88678 13.4594 3.36389 13.4594 -52.3626 GPRESSAVG: 3545800 36.9975 -23.1438 2.70997 -20.5517 4.62927 14.3565 4.44999 11.5749 -51.3209 TIMING: 3545800 CPU: 10552.4, 0.00292844/step Wall: 10552.4, 0.00292844/step, 1.18293 hours remaining, 206.746094 MB of memory in use. ENERGY: 3545800 708.3740 2062.0957 1933.3939 107.4108 -206267.9283 17715.0852 0.0000 0.0000 34244.9171 -149496.6517 299.0694 -183741.5688 -149396.5523 298.4215 -62.6173 -28.9481 556956.1299 -3.4627 -3.2314 PRESSURE: 3546000 -307.266 -68.2139 -18.395 -68.2152 -5.6915 3.82711 -18.3955 3.82708 74.6965 GPRESSURE: 3546000 -320.362 -14.9489 -82.4051 -112.532 67.833 43.7125 46.7542 -42.2416 99.4575 PRESSAVG: 3546000 -75.6093 -17.874 -13.2096 -17.8739 49.5477 7.13475 -13.2097 7.1347 -52.477 GPRESSAVG: 3546000 -75.8529 -17.5388 -15.1725 -17.5408 50.1992 5.76226 -11.4326 8.86639 -53.139 TIMING: 3546000 CPU: 10553, 0.00296977/step Wall: 10553, 0.00296977/step, 1.19946 hours remaining, 206.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3546000 722.2060 2017.0567 1921.8699 118.2110 -206110.0983 17654.9806 0.0000 0.0000 34202.0375 -149473.7366 298.6949 -183675.7741 -149380.6908 298.1428 -79.4205 -51.0239 558745.4917 -26.1795 -26.2643 PRESSURE: 3546200 -152.409 -88.6204 147.368 -88.6198 87.8808 -210.85 147.368 -210.852 27.4208 GPRESSURE: 3546200 -75.1502 -37.3118 144.081 -43.1525 124.483 -116.273 121.726 -259.976 12.371 PRESSAVG: 3546200 -77.2844 -12.365 53.9074 -12.3651 47.4925 -18.6734 53.9074 -18.6736 68.7838 GPRESSAVG: 3546200 -76.0886 -12.0595 56.9608 -13.9069 47.2741 -19.0548 50.7222 -17.9735 67.4526 TIMING: 3546200 CPU: 10553.6, 0.00297091/step Wall: 10553.6, 0.00297091/step, 1.19975 hours remaining, 206.746094 MB of memory in use. ENERGY: 3546200 743.8940 2065.4254 1911.3213 125.1710 -206125.6922 17773.0200 0.0000 0.0000 34296.4416 -149210.4189 299.5194 -183506.8605 -149120.2826 298.6498 -12.3693 20.5681 557926.1203 12.9973 12.8794 PRESSURE: 3546400 -200.414 -67.0781 72.7024 -67.076 -143.052 -101.759 72.7031 -101.758 42.0884 GPRESSURE: 3546400 -161.039 -86.167 20.9165 -85.9981 -79.5147 -63.5953 81.3841 -158.757 44.1499 PRESSAVG: 3546400 -43.1724 -6.5425 3.23097 -6.5425 42.6197 -1.01044 3.23095 -1.01035 -10.983 GPRESSAVG: 3546400 -43.8005 -6.78823 3.22873 -5.11342 42.2175 -0.19986 4.09089 -1.37105 -9.6049 TIMING: 3546400 CPU: 10554.2, 0.00295943/step Wall: 10554.2, 0.00295943/step, 1.19495 hours remaining, 206.746094 MB of memory in use. ENERGY: 3546400 730.9144 2091.8445 1944.0304 114.9323 -206158.3481 17680.3493 0.0000 0.0000 34259.6845 -149336.5927 299.1983 -183596.2772 -149241.2578 299.1490 -100.4593 -65.4680 558261.8157 -3.8452 -3.7293 PRESSURE: 3546600 -103.495 133.885 -49.5335 133.886 -185.686 -79.4992 -49.5338 -79.4984 -4.51465 GPRESSURE: 3546600 -64.7677 196.859 -106.497 156.975 -182.167 -73.874 -114.13 -86.4691 51.6924 PRESSAVG: 3546600 5.04483 6.07345 -12.7754 6.07336 15.5366 -37.6698 -12.7754 -37.6698 -8.59088 GPRESSAVG: 3546600 5.00281 6.28792 -12.5693 3.97885 15.3708 -37.7727 -11.7374 -38.1006 -8.00258 TIMING: 3546600 CPU: 10554.8, 0.00295938/step Wall: 10554.8, 0.00295938/step, 1.19477 hours remaining, 206.746094 MB of memory in use. ENERGY: 3546600 733.6722 2158.8346 1923.5640 109.3301 -205938.2134 17523.5549 0.0000 0.0000 34026.0525 -149463.2051 297.1580 -183489.2576 -149368.1785 298.6152 -97.8986 -65.0806 558773.5465 3.9968 4.1237 PRESSURE: 3546800 -123.968 83.1638 -17.5244 83.1646 105.52 240.058 -17.5243 240.057 87.2853 GPRESSURE: 3546800 -61.1362 104.178 31.2976 36.5432 104.732 241.679 -65.7139 179.744 142.803 PRESSAVG: 3546800 36.0493 -12.9151 -4.75592 -12.915 26.9967 22.0522 -4.75602 22.0522 -60.2369 GPRESSAVG: 3546800 35.8442 -13.696 -5.75669 -13.0238 27.404 21.6877 -4.65338 23.1174 -60.5396 TIMING: 3546800 CPU: 10555.4, 0.0029625/step Wall: 10555.4, 0.0029625/step, 1.19586 hours remaining, 206.746094 MB of memory in use. ENERGY: 3546800 727.2670 2061.0927 1954.1242 109.3896 -206222.8996 17739.5747 0.0000 0.0000 34195.4846 -149435.9668 298.6377 -183631.4514 -149338.6738 298.7112 22.9458 62.1330 557052.2048 0.9364 0.9029 PRESSURE: 3547000 192.341 -201.412 -119.899 -201.413 2.17328 -181.675 -119.897 -181.675 -30.8395 GPRESSURE: 3547000 232.762 -147.424 -113.285 -208.563 48.1451 -153.851 -119.484 -158.926 -22.1839 PRESSAVG: 3547000 11.088 12.3835 -44.3612 12.3834 48.4238 15.9251 -44.3611 15.925 -2.4514 GPRESSAVG: 3547000 10.8686 11.0157 -43.4686 14.0639 48.8308 15.9771 -45.527 14.1144 -3.19791 TIMING: 3547000 CPU: 10555.9, 0.00294385/step Wall: 10555.9, 0.00294385/step, 1.18817 hours remaining, 206.746094 MB of memory in use. ENERGY: 3547000 740.4165 2029.1449 1940.7401 131.5969 -206133.0231 17856.8281 0.0000 0.0000 34291.1899 -149143.1068 299.4735 -183434.2967 -149042.0892 298.7497 54.5582 86.2409 557475.0042 19.0201 18.8338 PRESSURE: 3547200 -36.0607 88.3785 170.798 88.3772 -195.597 51.1912 170.797 51.1919 -148.645 GPRESSURE: 3547200 -73.566 53.4601 206.424 82.8396 -126.293 116.98 172.11 -55.4061 -85.9816 PRESSAVG: 3547200 33.1022 26.3459 -17.9273 26.3459 -19.0628 20.7696 -17.9273 20.7696 -17.1818 GPRESSAVG: 3547200 33.0341 26.1557 -19.0699 25.5446 -19.6657 19.2956 -17.2948 20.5554 -16.4936 TIMING: 3547200 CPU: 10556.5, 0.00293648/step Wall: 10556.5, 0.00293648/step, 1.18503 hours remaining, 206.746094 MB of memory in use. ENERGY: 3547200 710.3666 2122.9679 1949.5671 111.9271 -205740.5217 17497.1343 0.0000 0.0000 34218.1636 -149130.3950 298.8357 -183348.5586 -149038.6461 299.5934 -126.7676 -95.2801 558925.1802 -1.0475 -1.0418 PRESSURE: 3547400 -33.937 84.9485 26.8776 84.9489 444.213 -33.7492 26.8771 -33.7494 93.6026 GPRESSURE: 3547400 9.46308 74.1785 -8.37138 97.9314 409.395 -0.222364 15.1294 -107.6 165.775 PRESSAVG: 3547400 22.8894 124.941 10.8712 124.941 -27.1149 10.094 10.8712 10.094 12.3816 GPRESSAVG: 3547400 23.5603 127.479 10.361 124.198 -27.9686 10.7951 9.89888 11.0353 12.3927 TIMING: 3547400 CPU: 10557.1, 0.00295421/step Wall: 10557.1, 0.00295421/step, 1.19202 hours remaining, 206.746094 MB of memory in use. ENERGY: 3547400 767.3747 2049.7365 1922.2171 116.0173 -205797.7645 17840.1188 0.0000 0.0000 34113.8018 -148988.4983 297.9243 -183102.3001 -148899.9547 299.5459 167.9594 194.8778 557765.2863 2.7187 2.6615 PRESSURE: 3547600 -10.2245 213.334 -71.0287 213.333 78.0011 -192.434 -71.0272 -192.435 268.161 GPRESSURE: 3547600 -46.9384 224.873 -72.0163 248.952 121.801 -82.5037 -78.1206 -171.814 349.583 PRESSAVG: 3547600 53.8499 16.2978 58.644 16.2979 -37.202 -13.2565 58.6441 -13.2566 -19.5663 GPRESSAVG: 3547600 53.7747 16.799 56.8053 16.7459 -36.408 -12.685 59.1273 -13.2324 -20.2905 TIMING: 3547600 CPU: 10557.7, 0.00294182/step Wall: 10557.7, 0.00294182/step, 1.18686 hours remaining, 206.746094 MB of memory in use. ENERGY: 3547600 772.0028 2032.5893 1929.1975 98.8924 -206049.9423 17957.0258 0.0000 0.0000 34248.3551 -149011.8794 299.0994 -183260.2345 -148918.3069 299.8332 111.9792 141.4820 556617.0955 -0.9728 -0.9746 PRESSURE: 3547800 209.232 -243.18 -58.1051 -243.181 -82.5277 -101.076 -58.1062 -101.077 -7.95916 GPRESSURE: 3547800 245.203 -233.854 -13.996 -224.978 -56.9131 -146.785 -37.9896 -59.8101 10.0203 PRESSAVG: 3547800 2.1344 -12.4068 -17.8433 -12.4068 -3.11929 -28.4653 -17.8433 -28.4653 36.3321 GPRESSAVG: 3547800 1.68474 -14.4794 -15.3098 -11.0088 -2.54483 -28.8802 -18.5174 -28.6673 36.4649 TIMING: 3547800 CPU: 10558.3, 0.00294458/step Wall: 10558.3, 0.00294458/step, 1.18781 hours remaining, 206.746094 MB of memory in use. ENERGY: 3547800 752.6560 2049.3608 1950.0877 110.4458 -206325.3459 17955.1751 0.0000 0.0000 34251.2756 -149256.3449 299.1249 -183507.6205 -149154.6608 299.3011 39.5818 66.1032 556326.5289 11.7824 11.8683 PRESSURE: 3548000 64.1377 84.6104 -59.7424 84.6113 -67.1135 -6.93405 -59.7426 -6.9351 72.2974 GPRESSURE: 3548000 72.14 63.3744 -26.5104 110.111 2.94939 -50.3964 -124.042 32.4401 71.7314 PRESSAVG: 3548000 51.5678 5.35292 18.5523 5.35287 -29.8924 4.23148 18.5522 4.23153 -8.6505 GPRESSAVG: 3548000 51.399 7.01885 18.2236 2.53481 -29.6414 3.4919 17.493 3.0054 -8.98875 TIMING: 3548000 CPU: 10558.9, 0.00294604/step Wall: 10558.9, 0.00294604/step, 1.18824 hours remaining, 206.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3548000 743.5519 2133.7875 1955.3213 104.6841 -206275.5182 17835.2427 0.0000 0.0000 34315.9000 -149187.0307 299.6893 -183502.9307 -149088.0171 299.1940 23.1072 48.9403 556646.3782 4.3416 4.2563 PRESSURE: 3548200 -300.828 202.072 189.354 202.073 80.02 33.3847 189.354 33.3837 42.5865 GPRESSURE: 3548200 -299.029 161.204 184.893 221.211 137.28 -37.8171 316.75 71.4232 83.1658 PRESSAVG: 3548200 -43.4927 41.6155 1.80062 41.6155 0.242595 -17.3311 1.80061 -17.331 68.5664 GPRESSAVG: 3548200 -43.8014 40.3749 1.91798 41.895 -0.164222 -17.2388 4.14465 -16.8417 69.5904 TIMING: 3548200 CPU: 10559.5, 0.00295334/step Wall: 10559.5, 0.00295334/step, 1.19102 hours remaining, 206.746094 MB of memory in use. ENERGY: 3548200 753.5377 2100.3283 1930.3873 106.1504 -206103.7775 17701.4763 0.0000 0.0000 34355.1988 -149156.6987 300.0325 -183511.8975 -149060.2507 298.8431 -59.4074 -26.1945 558912.7584 8.4388 8.5416 LDB: ============= START OF LOAD BALANCING ============== 10563 LDB: ============== END OF LOAD BALANCING =============== 10563 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10563 LDB: ============= START OF LOAD BALANCING ============== 10563.3 LDB: Largest compute 4802 load 0.023636 is 20.0% of average load 0.118258 LDB: Average compute 0.001743 is 1.5% of average load 0.118258 LDB: TIME 10563.3 LOAD: AVG 0.118258 MAX 0.195578 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.477 MB LDB: TIME 10563.3 LOAD: AVG 0.118258 MAX 0.195578 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.477 MB LDB: TIME 10563.3 LOAD: AVG 0.118258 MAX 0.195578 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.477 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10563.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10563.3 PRESSURE: 3548400 -161.34 62.0724 -50.7219 62.0721 209.666 40.9326 -50.7211 40.931 -116.635 GPRESSURE: 3548400 -145.848 118.922 -111.918 52.5167 305.793 44.3349 -40.3996 -11.9505 -121.824 PRESSAVG: 3548400 52.8738 14.7336 -18.9249 14.7336 0.305144 42.3659 -18.9249 42.3659 -56.5361 GPRESSAVG: 3548400 53.6843 16.4874 -20.7569 14.8791 -0.398293 43.0726 -19.8683 43.2484 -56.7123 TIMING: 3548400 CPU: 10560.1, 0.00298949/step Wall: 10560.1, 0.00298949/step, 1.20543 hours remaining, 207.253906 MB of memory in use. ENERGY: 3548400 762.7091 2075.5793 1909.4991 114.1067 -206209.1888 17904.7399 0.0000 0.0000 34170.7280 -149271.8268 298.4215 -183442.5547 -149176.7899 299.1808 -22.7695 12.7071 558757.8810 -1.1190 -1.1421 PRESSURE: 3548600 -63.2037 -50.0614 243.187 -50.0605 -94.7057 181.06 243.186 181.061 -474.834 GPRESSURE: 3548600 -45.5249 -88.2639 205.118 -80.8786 -58.0599 111.443 123.683 289.57 -427.632 PRESSAVG: 3548600 50.2833 18.4132 -22.5883 18.4132 4.32074 103.122 -22.5882 103.122 -38.6779 GPRESSAVG: 3548600 49.8426 17.6647 -21.2193 17.049 4.1979 102.211 -21.5096 102.907 -38.207 TIMING: 3548600 CPU: 10560.7, 0.0029158/step Wall: 10560.7, 0.0029158/step, 1.17555 hours remaining, 207.253906 MB of memory in use. ENERGY: 3548600 746.0933 2059.0589 1947.9229 127.3936 -205738.2191 17614.9776 0.0000 0.0000 34021.1761 -149221.5967 297.1154 -183242.7728 -149118.6041 298.5890 -210.9143 -177.0723 559904.1560 5.3087 5.2778 PRESSURE: 3548800 -190.439 14.3198 25.3528 14.3189 134.225 63.281 25.3526 63.2822 -262.538 GPRESSURE: 3548800 -89.9562 83.2325 42.4592 70.2224 153.831 50.809 3.92579 81.2521 -292.237 PRESSAVG: 3548800 -9.19797 -11.83 25.3929 -11.8301 21.3868 81.5847 25.3929 81.5847 -55.9859 GPRESSAVG: 3548800 -8.90495 -13.6345 25.6341 -10.85 22.4039 83.72 23.9512 79.6929 -57.5187 TIMING: 3548800 CPU: 10561.2, 0.00295063/step Wall: 10561.2, 0.00295063/step, 1.18943 hours remaining, 207.253906 MB of memory in use. ENERGY: 3548800 760.8884 2108.8854 1931.0320 100.5686 -206055.8852 17724.9949 0.0000 0.0000 34189.1968 -149240.3191 298.5828 -183429.5159 -149149.9847 299.6006 -106.2507 -76.1205 558714.4494 -14.5990 -14.6733 PRESSURE: 3549000 71.3581 -53.3808 -64.5154 -53.3822 10.8205 77.4252 -64.5152 77.4237 -46.9571 GPRESSURE: 3549000 94.1167 5.31259 -5.62316 -145.915 54.6484 69.9045 -25.1166 125.277 -22.4431 PRESSAVG: 3549000 -0.137236 -13.0861 22.1512 -13.086 -21.7523 44.1453 22.1513 44.1453 27.5836 GPRESSAVG: 3549000 0.422746 -11.309 22.0232 -12.2687 -22.8602 43.0383 22.1569 44.1879 28.3487 TIMING: 3549000 CPU: 10561.8, 0.00295052/step Wall: 10561.8, 0.00295052/step, 1.18922 hours remaining, 207.253906 MB of memory in use. ENERGY: 3549000 749.6257 2121.1119 1923.7045 103.6484 -206303.1029 17908.2987 0.0000 0.0000 34242.2097 -149254.5041 299.0457 -183496.7138 -149154.5023 299.1664 11.7405 42.1073 557691.1512 1.8980 1.9704 PRESSURE: 3549200 -177.272 -213.396 6.54226 -213.396 -293.529 -145.966 6.54296 -145.966 -135.798 GPRESSURE: 3549200 -118.842 -189.887 -44.566 -142.434 -243.171 -114.493 17.6027 -132.028 -155.989 PRESSAVG: 3549200 49.6055 -43.1671 -21.851 -43.1671 -46.255 32.6945 -21.851 32.6944 46.0892 GPRESSAVG: 3549200 49.6676 -45.4129 -22.4123 -41.9039 -46.3467 34.6037 -20.738 33.4369 45.8104 TIMING: 3549200 CPU: 10562.4, 0.00295057/step Wall: 10562.4, 0.00295057/step, 1.18908 hours remaining, 207.253906 MB of memory in use. ENERGY: 3549200 737.9149 2093.3775 1948.8156 113.8101 -206111.6562 17585.6855 0.0000 0.0000 34299.0764 -149332.9762 299.5424 -183632.0525 -149232.2015 299.0488 -202.1993 -172.6674 557885.7818 16.4799 16.3771 PRESSURE: 3549400 63.8419 55.5619 -50.8119 55.5622 94.2698 -71.4102 -50.8131 -71.4102 247.155 GPRESSURE: 3549400 75.9904 65.3216 -64.027 47.8014 192.42 -53.257 -108.334 -31.1261 237.312 PRESSAVG: 3549400 12.1435 56.1026 -46.2274 56.1026 -38.0144 -48.7609 -46.2274 -48.7609 15.6903 GPRESSAVG: 3549400 11.3967 57.19 -46.0238 55.6158 -36.8283 -48.8903 -46.2495 -47.9549 15.848 TIMING: 3549400 CPU: 10563, 0.00296053/step Wall: 10563, 0.00296053/step, 1.19293 hours remaining, 207.253906 MB of memory in use. ENERGY: 3549400 755.6131 2103.7359 1936.8410 114.7296 -206893.2733 18356.1028 0.0000 0.0000 34395.0761 -149231.1749 300.3808 -183626.2510 -149133.5918 299.4890 135.0888 168.5741 557007.2735 -3.3935 -3.1945 PRESSURE: 3549600 37.784 143.769 -96.2599 143.767 -451.519 -56.0614 -96.26 -56.0604 10.8172 GPRESSURE: 3549600 81.5386 139.372 -124.734 163.952 -393.845 -56.1527 -116.462 78.345 12.7608 PRESSAVG: 3549600 10.8822 -36.9287 -79.9008 -36.9287 -35.3309 32.8838 -79.9008 32.8837 10.952 GPRESSAVG: 3549600 12.3393 -37.8914 -79.9742 -36.6123 -36.0068 32.3459 -79.5525 31.2408 10.2412 TIMING: 3549600 CPU: 10563.6, 0.00298054/step Wall: 10563.6, 0.00298054/step, 1.20083 hours remaining, 207.253906 MB of memory in use. ENERGY: 3549600 759.0081 2079.0413 1906.2621 109.0479 -205619.2433 17411.1733 0.0000 0.0000 34224.6196 -149130.0910 298.8921 -183354.7106 -149039.6688 299.6576 -134.3060 -99.8485 556244.8611 -4.4989 -4.4755 PRESSURE: 3549800 -314.462 15.1017 -92.2173 15.1025 88.8581 143.138 -92.218 143.137 39.164 GPRESSURE: 3549800 -287.39 -72.5239 -146.071 41.1232 91.6063 222.707 -33.7367 105.903 119.993 PRESSAVG: 3549800 -40.9342 -38.996 -69.4063 -38.9959 -26.8795 -16.2482 -69.4063 -16.2482 75.1688 GPRESSAVG: 3549800 -41.4342 -37.3033 -68.9541 -38.8128 -26.7029 -18.1262 -70.01 -14.4735 75.6202 TIMING: 3549800 CPU: 10564.2, 0.00295469/step Wall: 10564.2, 0.00295469/step, 1.19025 hours remaining, 207.253906 MB of memory in use. ENERGY: 3549800 696.9244 2099.5221 1960.0706 116.8140 -206258.7775 17730.1344 0.0000 0.0000 34441.8712 -149213.4408 300.7894 -183655.3119 -149111.2309 299.8910 -62.1465 -25.2639 555944.5035 2.4517 2.4944 PRESSURE: 3550000 42.8556 153.061 -21.044 153.06 -62.8071 -51.5634 -21.0443 -51.5621 313.996 GPRESSURE: 3550000 120.339 147.199 -6.42627 125.569 -42.3122 -123.509 -81.1162 10.8753 312.494 PRESSAVG: 3550000 -1.85566 -4.12403 -10.2166 -4.12397 -29.6606 2.30923 -10.2166 2.3093 40.3082 GPRESSAVG: 3550000 -2.52015 -2.96884 -9.36344 -5.96265 -30.8563 3.54107 -10.2485 1.50981 42.0195 TIMING: 3550000 CPU: 10564.8, 0.00293608/step Wall: 10564.8, 0.00293608/step, 1.18259 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3550000 699.0844 2065.7879 1928.1665 99.8125 -206239.7404 17915.4360 0.0000 0.0000 34608.9207 -148922.5324 302.2483 -183531.4530 -148825.9169 300.0590 98.0149 130.1736 557410.1098 2.9306 2.8810 PRESSURE: 3550200 -58.147 5.83074 -21.322 5.82882 -15.9555 -10.5883 -21.3226 -10.5894 -121.522 GPRESSURE: 3550200 7.5494 -65.515 36.2029 6.14015 -2.9663 39.4014 -16.4944 72.3591 -100.556 PRESSAVG: 3550200 28.4309 52.06 -18.7158 52.06 -32.6397 29.8892 -18.7158 29.8892 -29.6548 GPRESSAVG: 3550200 29.2564 48.7661 -17.5556 53.4169 -32.473 29.4744 -19.5027 30.7731 -29.7011 TIMING: 3550200 CPU: 10565.4, 0.00293647/step Wall: 10565.4, 0.00293647/step, 1.18258 hours remaining, 207.253906 MB of memory in use. ENERGY: 3550200 726.5848 2081.1189 1954.7218 128.1561 -205953.0989 17785.4485 0.0000 0.0000 34234.1389 -149042.9299 298.9752 -183277.0688 -148953.6226 299.8394 -65.2081 -31.9910 557416.8183 -11.2879 -10.9726 PRESSURE: 3550400 77.5826 96.2401 -24.498 96.24 334.68 55.9416 -24.4993 55.9422 250.196 GPRESSURE: 3550400 127.642 136.016 11.2595 71.8312 301 114.028 -109.83 106.592 320.247 PRESSAVG: 3550400 -28.7699 -10.6247 -7.80661 -10.6246 21.5303 6.94693 -7.80663 6.94698 -24.6312 GPRESSAVG: 3550400 -28.528 -8.259 -7.54901 -11.407 22.7396 7.47106 -7.52347 6.1942 -26.4345 TIMING: 3550400 CPU: 10566, 0.00293436/step Wall: 10566, 0.00293436/step, 1.18157 hours remaining, 207.253906 MB of memory in use. ENERGY: 3550400 697.1735 2148.2929 1909.3649 113.4820 -206348.7776 18004.2935 0.0000 0.0000 34370.4555 -149105.7153 300.1657 -183476.1708 -149008.5342 299.1433 220.8193 249.6298 557349.7112 -10.6236 -10.7410 PRESSURE: 3550600 -136.196 -166.936 54.9782 -166.936 -25.0125 -80.8066 54.9777 -80.8071 38.2082 GPRESSURE: 3550600 -127.171 -172.905 60.2459 -246.701 -28.1884 -73.6382 141.251 -2.68226 132.075 PRESSAVG: 3550600 27.5156 -4.8261 8.14345 -4.82603 7.17735 12.4664 8.14342 12.4664 -21.4409 GPRESSAVG: 3550600 26.7877 -5.53502 6.20385 -5.75268 5.73217 11.5785 11.1701 13.8297 -19.4323 TIMING: 3550600 CPU: 10566.6, 0.00293292/step Wall: 10566.6, 0.00293292/step, 1.18082 hours remaining, 207.253906 MB of memory in use. ENERGY: 3550600 735.5252 2075.7370 1946.7101 121.4320 -205818.1130 17532.5294 0.0000 0.0000 34446.9652 -148959.2141 300.8339 -183406.1793 -148867.9587 299.1695 -41.0002 -7.7615 556589.5101 4.4174 4.3625 PRESSURE: 3550800 -77.2251 -134.813 -71.4183 -134.814 -35.9011 -135.408 -71.4165 -135.407 185.336 GPRESSURE: 3550800 -45.5244 -124.142 23.0285 -111.14 16.0053 -64.9836 -90.6694 -59.0799 194.617 PRESSAVG: 3550800 -23.7693 -0.65296 -54.9404 -0.652926 46.9815 -22.3942 -54.9404 -22.3942 -11.2639 GPRESSAVG: 3550800 -24.5669 -1.12856 -53.8523 0.100948 49.4486 -23.0928 -57.658 -21.8268 -12.5413 TIMING: 3550800 CPU: 10567.1, 0.00295963/step Wall: 10567.1, 0.00295963/step, 1.19142 hours remaining, 207.253906 MB of memory in use. ENERGY: 3550800 754.4512 2135.0405 1932.3841 115.0655 -206227.2522 17890.8928 0.0000 0.0000 34172.7210 -149226.6972 298.4389 -183399.4181 -149136.5572 299.4252 24.0698 55.0326 557939.0297 3.9828 4.1135 PRESSURE: 3551000 -92.9258 11.3154 -103.083 11.316 -7.81731 -128.79 -103.081 -128.79 -32.8302 GPRESSURE: 3551000 -44.6225 6.92945 -87.4366 20.6117 12.2926 -102.816 -56.0807 -161.101 -3.80771 PRESSAVG: 3551000 -10.3149 33.4275 0.215892 33.4275 41.8361 15.6419 0.21597 15.6418 -4.0058 GPRESSAVG: 3551000 -9.76661 32.6703 -0.362153 33.5114 41.0085 14.7553 0.151276 15.0762 -3.84175 TIMING: 3551000 CPU: 10567.7, 0.00295064/step Wall: 10567.7, 0.00295064/step, 1.18763 hours remaining, 207.253906 MB of memory in use. ENERGY: 3551000 763.1666 2079.0153 1929.8107 109.6430 -206072.4146 17899.1773 0.0000 0.0000 34098.8075 -149192.7942 297.7934 -183291.6017 -149108.2911 298.9299 -44.5244 -12.0459 557729.3553 9.1718 9.1334 PRESSURE: 3551200 64.082 15.0201 1.9986 15.0203 -37.0828 27.467 1.99832 27.4668 -14.5083 GPRESSURE: 3551200 59.2443 96.2684 -0.499277 13.438 51.4979 0.939666 53.5231 103.376 3.93446 PRESSAVG: 3551200 32.8931 9.34248 -25.1979 9.34254 -30.665 -7.89505 -25.1979 -7.89511 24.0642 GPRESSAVG: 3551200 32.705 10.7608 -26.0305 7.68932 -30.8497 -5.14684 -24.3495 -9.80556 24.5246 TIMING: 3551200 CPU: 10568.3, 0.0029545/step Wall: 10568.3, 0.0029545/step, 1.18902 hours remaining, 207.253906 MB of memory in use. ENERGY: 3551200 710.3414 2106.3863 1943.3148 115.2856 -206293.7764 17869.4844 0.0000 0.0000 34226.0324 -149322.9315 298.9045 -183548.9638 -149227.6583 299.6018 4.1636 38.2255 558175.4335 8.7641 8.7933 PRESSURE: 3551400 127.653 58.9362 -20.0845 58.9374 1.47236 -82.6054 -20.0849 -82.6045 91.7844 GPRESSURE: 3551400 176.138 3.54273 -33.6185 124.78 61.3317 -104.401 -8.99307 -98.5861 81.7812 PRESSAVG: 3551400 -6.14897 -28.132 -11.3435 -28.1321 2.88185 -52.5991 -11.3435 -52.5991 27.0886 GPRESSAVG: 3551400 -6.41788 -27.641 -10.411 -28.3092 3.14576 -52.7847 -12.0024 -53.178 26.5281 TIMING: 3551400 CPU: 10568.9, 0.00295121/step Wall: 10568.9, 0.00295121/step, 1.18753 hours remaining, 207.253906 MB of memory in use. ENERGY: 3551400 692.1934 2094.7018 1943.0254 110.7959 -206709.8880 18033.8296 0.0000 0.0000 34504.9563 -149330.3857 301.3404 -183835.3420 -149229.0978 298.6228 73.6364 106.4169 556772.0219 7.9405 7.7520 PRESSURE: 3551600 44.5648 47.7843 -186.953 47.7843 32.703 46.2942 -186.951 46.2943 -36.1576 GPRESSURE: 3551600 100.895 12.9597 -183.763 147.199 71.4938 13.3081 -199.989 17.7845 -27.9206 PRESSAVG: 3551600 29.1141 78.3241 -15.619 78.3242 -15.8611 -64.1537 -15.6191 -64.1537 1.97936 GPRESSAVG: 3551600 30.0942 75.2352 -15.842 79.3834 -16.437 -65.2248 -14.9884 -62.4616 1.55197 TIMING: 3551600 CPU: 10569.5, 0.00295907/step Wall: 10569.5, 0.00295907/step, 1.19053 hours remaining, 207.253906 MB of memory in use. ENERGY: 3551600 715.1254 2106.6646 1927.0427 114.2092 -206056.2413 17915.5189 0.0000 0.0000 33952.0532 -149325.6272 296.5117 -183277.6804 -149233.4598 299.1152 13.7034 48.1561 558475.5498 5.0774 5.0697 PRESSURE: 3551800 4.46891 46.8327 -172.307 46.8322 -170.631 63.4296 -172.307 63.4278 -104.225 GPRESSURE: 3551800 105.536 98.8195 -162.223 53.3069 -143.192 68.7857 -139.89 37.0282 -133.941 PRESSAVG: 3551800 45.2341 52.6879 -78.9849 52.6879 18.1716 -32.34 -78.985 -32.3399 6.30118 GPRESSAVG: 3551800 44.3008 53.4066 -79.3728 53.9325 19.3089 -31.6833 -79.1229 -32.1763 6.22157 TIMING: 3551800 CPU: 10570.1, 0.00291015/step Wall: 10570.1, 0.00291015/step, 1.17069 hours remaining, 207.253906 MB of memory in use. ENERGY: 3551800 774.0161 2149.4836 1932.8528 104.7444 -206046.4223 17606.8831 0.0000 0.0000 34236.1264 -149242.3159 298.9926 -183478.4423 -149142.3837 299.2514 -90.1291 -57.1990 556683.0413 23.2356 23.2771 PRESSURE: 3552000 221.589 -138.351 191.446 -138.352 226.665 -142.35 191.446 -142.351 348.116 GPRESSURE: 3552000 266.241 -66.0157 195.483 -141.549 278.752 -170.264 244.44 -156.036 344.295 PRESSAVG: 3552000 -26.9589 -36.2644 -46.6259 -36.2643 0.288662 -1.06686 -46.6258 -1.06697 4.72214 GPRESSAVG: 3552000 -28.1177 -36.8782 -45.7074 -35.1793 0.0865404 0.564914 -45.6415 -4.4074 5.66668 TIMING: 3552000 CPU: 10570.7, 0.0029369/step Wall: 10570.7, 0.0029369/step, 1.18128 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3552000 696.8023 2076.9514 1971.3436 118.8950 -206563.9791 18228.3725 0.0000 0.0000 34224.8077 -149246.8066 298.8938 -183471.6144 -149147.9281 299.1015 265.4568 296.4294 555554.8227 -7.3160 -7.4548 PRESSURE: 3552200 -132.448 216.439 -12.7167 216.437 78.559 -101.006 -12.716 -101.005 48.3117 GPRESSURE: 3552200 -45.0862 138.371 57.0078 163.109 86.9857 -102.212 9.43632 -20.8566 55.2554 PRESSAVG: 3552200 77.1114 -6.36047 6.79386 -6.36052 -15.4537 -27.876 6.79392 -27.876 -10.3924 GPRESSAVG: 3552200 78.0964 -5.11054 7.17701 -9.68317 -15.3487 -27.3066 4.18423 -26.6064 -11.053 TIMING: 3552200 CPU: 10571.3, 0.00292273/step Wall: 10571.3, 0.00292273/step, 1.17543 hours remaining, 207.253906 MB of memory in use. ENERGY: 3552200 749.9526 2114.6000 1933.1807 121.5916 -206468.6318 17981.6239 0.0000 0.0000 34168.6972 -149398.9858 298.4037 -183567.6830 -149299.2032 298.9348 -1.8592 32.3850 557618.9253 17.0884 17.2316 LDB: ============= START OF LOAD BALANCING ============== 10574.8 LDB: ============== END OF LOAD BALANCING =============== 10574.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10574.8 LDB: ============= START OF LOAD BALANCING ============== 10575.1 LDB: Largest compute 4796 load 0.024211 is 20.5% of average load 0.118224 LDB: Average compute 0.001739 is 1.5% of average load 0.118224 LDB: TIME 10575.1 LOAD: AVG 0.118224 MAX 0.195998 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 10575.1 LOAD: AVG 0.118224 MAX 0.195998 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: TIME 10575.1 LOAD: AVG 0.118224 MAX 0.195998 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10575.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10575.1 PRESSURE: 3552400 -17.7339 187.676 11.977 187.676 -424.717 -131.244 11.9759 -131.243 6.42139 GPRESSURE: 3552400 38.1738 168.836 -42.3344 107.949 -350.274 -138.939 -39.3822 -184.603 -21.4612 PRESSAVG: 3552400 57.4355 -20.0331 -13.2719 -20.0331 -68.2117 -42.9932 -13.2718 -42.9932 -8.8852 GPRESSAVG: 3552400 57.6479 -21.3572 -15.4011 -18.5892 -67.5044 -44.929 -10.7832 -42.237 -9.26366 TIMING: 3552400 CPU: 10571.9, 0.00298715/step Wall: 10571.9, 0.00298715/step, 1.20117 hours remaining, 207.253906 MB of memory in use. ENERGY: 3552400 801.3905 2093.0372 1934.5697 125.1668 -206298.4407 17822.7862 0.0000 0.0000 34115.9893 -149405.5010 297.9434 -183521.4902 -149306.8505 298.6037 -145.3430 -111.1871 558668.1794 -6.5538 -6.3734 PRESSURE: 3552600 -53.4072 122.034 96.9926 122.034 -129.819 20.4616 96.9914 20.4633 72.9887 GPRESSURE: 3552600 43.9839 95.2303 169.864 115.845 -105.335 53.7933 128.698 33.3577 55.5524 PRESSAVG: 3552600 36.339 24.615 53.43 24.6151 -31.214 -26.6749 53.4301 -26.6747 8.73363 GPRESSAVG: 3552600 34.8939 24.9829 53.0411 24.5553 -30.7081 -27.2776 51.6456 -26.6351 8.72796 TIMING: 3552600 CPU: 10572.5, 0.00295094/step Wall: 10572.5, 0.00295094/step, 1.18644 hours remaining, 207.453125 MB of memory in use. ENERGY: 3552600 779.0655 2123.4520 1954.8891 104.7308 -206320.0741 17858.3997 0.0000 0.0000 34100.0887 -149399.4483 297.8046 -183499.5370 -149304.8766 298.1470 -36.7459 -1.9329 558259.9865 4.6195 4.3046 PRESSURE: 3552800 -19.3825 58.8279 154.787 58.829 -196.947 -175.152 154.788 -175.151 -80.8959 GPRESSURE: 3552800 33.2521 82.9152 191.962 -40.0286 -178.74 -102.709 126.05 -301.971 -48.9386 PRESSAVG: 3552800 -5.73794 8.81681 43.7281 8.81686 1.03486 -7.49393 43.7281 -7.49398 33.0405 GPRESSAVG: 3552800 -3.73169 9.41224 43.805 8.08081 -1.16738 -6.99674 44.5401 -7.69977 33.2291 TIMING: 3552800 CPU: 10573, 0.00293007/step Wall: 10573, 0.00293007/step, 1.17789 hours remaining, 207.453125 MB of memory in use. ENERGY: 3552800 751.7459 2087.8447 1946.5984 101.5972 -206501.9844 17854.9450 0.0000 0.0000 34123.1430 -149636.1101 298.0059 -183759.2531 -149538.8102 298.4435 -99.0751 -64.8090 557453.2376 9.4458 9.4433 PRESSURE: 3553000 -69.3252 57.0402 -67.9919 57.0412 -131.862 -95.8547 -67.9922 -95.854 -87.9347 GPRESSURE: 3553000 -42.1223 75.5818 -39.6411 135.792 -90.5862 13.7397 48.5527 -155.59 -51.3844 PRESSAVG: 3553000 18.694 48.4613 -14.2826 48.4613 18.8742 -2.10046 -14.2825 -2.10041 5.09825 GPRESSAVG: 3553000 16.19 48.6747 -12.3161 49.7594 20.289 -1.96572 -15.6249 -2.6185 6.36846 TIMING: 3553000 CPU: 10573.6, 0.00293129/step Wall: 10573.6, 0.00293129/step, 1.17821 hours remaining, 207.453125 MB of memory in use. ENERGY: 3553000 781.9100 2113.3249 1923.9390 120.3958 -206631.7885 17885.3048 0.0000 0.0000 34157.5600 -149649.3540 298.3065 -183806.9140 -149550.9015 297.5273 -96.3738 -61.3643 557853.4072 14.2222 14.2825 PRESSURE: 3553200 150.169 -8.45086 43.3422 -8.44979 -74.4538 90.6226 43.342 90.621 173.37 GPRESSURE: 3553200 196.937 -25.9595 -0.304171 35.8287 -53.803 100.141 85.7299 98.6438 196.108 PRESSAVG: 3553200 -18.1791 29.8997 -27.2375 29.8998 -7.06334 -6.87032 -27.2374 -6.87038 -9.70611 GPRESSAVG: 3553200 -15.6163 30.9791 -28.704 28.4083 -8.08292 -6.4532 -25.7576 -5.97164 -11.0758 TIMING: 3553200 CPU: 10574.2, 0.00293885/step Wall: 10574.2, 0.00293885/step, 1.18109 hours remaining, 207.453125 MB of memory in use. ENERGY: 3553200 719.6585 2111.2720 1958.0641 112.2508 -206496.3607 17985.7234 0.0000 0.0000 34200.5770 -149408.8149 298.6821 -183609.3919 -149309.9761 298.8554 83.0285 113.0809 556129.4708 -11.6495 -11.5917 PRESSURE: 3553400 -379.365 -98.2509 -154.407 -98.2534 -241.965 99.1316 -154.408 99.1306 -114.86 GPRESSURE: 3553400 -309.342 -181.363 -134.626 -51.8158 -241.874 113.453 -150.387 182.454 -77.0684 PRESSAVG: 3553400 28.0226 8.83923 3.35455 8.83917 -20.3747 36.8885 3.35457 36.8886 22.0996 GPRESSAVG: 3553400 28.089 7.03381 2.11802 9.67155 -20.7033 37.9391 1.18044 36.7939 22.3986 TIMING: 3553400 CPU: 10574.8, 0.00296888/step Wall: 10574.8, 0.00296888/step, 1.193 hours remaining, 207.453125 MB of memory in use. ENERGY: 3553400 763.0675 2125.2504 1950.1156 105.6503 -206142.4454 17503.4721 0.0000 0.0000 34323.1546 -149371.7349 299.7526 -183694.8895 -149277.0726 298.4920 -245.3965 -209.4281 558415.9733 9.9158 9.9281 PRESSURE: 3553600 137.186 -230.638 -5.63176 -230.638 34.3107 -17.4315 -5.63198 -17.4324 150.673 GPRESSURE: 3553600 170.656 -212.239 24.4395 -226.896 75.5152 -38.6184 43.9034 4.036 168.649 PRESSAVG: 3553600 36.0798 -73.5823 -11.1366 -73.5823 -18.0417 50.7444 -11.1367 50.7444 -40.4657 GPRESSAVG: 3553600 34.6525 -71.7687 -7.98839 -72.1406 -17.0631 49.0343 -11.6079 50.9151 -40.9792 TIMING: 3553600 CPU: 10575.4, 0.00298982/step Wall: 10575.4, 0.00298982/step, 1.20124 hours remaining, 207.453125 MB of memory in use. ENERGY: 3553600 763.7983 2124.9722 1921.0915 119.0916 -206591.9446 18039.6397 0.0000 0.0000 34265.8400 -149357.5114 299.2521 -183623.3514 -149262.5244 298.9280 107.3901 138.2736 556954.6088 -7.4758 -7.7966 PRESSURE: 3553800 -359.303 -80.3752 -44.4522 -80.3753 -67.8195 54.9192 -44.4531 54.9191 -121.378 GPRESSURE: 3553800 -321.808 -100.165 -97.5126 -32.1962 -73.3182 117.016 -29.4767 -34.2821 -52.6453 PRESSAVG: 3553800 9.62641 -22.0433 77.6543 -22.0433 39.2763 -16.3098 77.6544 -16.3097 -2.44868 GPRESSAVG: 3553800 9.33019 -23.4343 76.2955 -22.9376 38.0312 -16.3844 77.9195 -14.0548 -1.48355 TIMING: 3553800 CPU: 10576, 0.00297004/step Wall: 10576, 0.00297004/step, 1.19313 hours remaining, 207.453125 MB of memory in use. ENERGY: 3553800 745.6914 2101.7414 1943.6711 124.3240 -206133.3256 17591.0661 0.0000 0.0000 34326.2683 -149300.5634 299.7798 -183626.8317 -149200.4841 299.1028 -182.8335 -149.2572 557052.0296 15.4847 15.2926 PRESSURE: 3554000 -349.639 -180.503 -0.221701 -180.503 -112.589 -58.1967 -0.221544 -58.1966 45.3777 GPRESSURE: 3554000 -280.083 -230.597 87.4498 -165.696 -68.5172 -95.8364 -84.8991 29.6871 31.7743 PRESSAVG: 3554000 -24.3939 -27.0861 -20.078 -27.0862 21.8821 62.2237 -20.078 62.2237 4.77294 GPRESSAVG: 3554000 -23.7805 -29.5133 -19.2257 -27.8141 21.6762 61.8511 -17.6479 59.5009 4.53668 TIMING: 3554000 CPU: 10576.6, 0.00296582/step Wall: 10576.6, 0.00296582/step, 1.19127 hours remaining, 207.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3554000 732.4899 2074.2822 1916.2275 117.8641 -205946.5133 17556.3048 0.0000 0.0000 34192.8521 -149356.4927 298.6147 -183549.3447 -149255.1158 298.2066 -138.9500 -105.6086 556245.3350 0.7537 0.8108 PRESSURE: 3554200 -95.6298 -102.792 -25.6162 -102.792 -101.376 82.6734 -25.6171 82.6742 -205.765 GPRESSURE: 3554200 -29.7221 -114.245 -12.2658 -130.46 -141.663 78.0075 -30.1049 52.9228 -133.425 PRESSAVG: 3554200 -58.5029 13.838 27.2539 13.838 55.3488 74.6058 27.2539 74.6059 17.5423 GPRESSAVG: 3554200 -57.4747 14.3843 26.0995 15.2567 55.2098 73.2652 26.5279 74.5233 17.0204 TIMING: 3554200 CPU: 10577.2, 0.0029433/step Wall: 10577.2, 0.0029433/step, 1.18206 hours remaining, 207.453125 MB of memory in use. ENERGY: 3554200 727.6180 2128.2031 1941.6139 108.2733 -206254.5283 17638.5771 0.0000 0.0000 34312.5313 -149397.7116 299.6599 -183710.2429 -149302.0662 298.1670 -134.2570 -101.6037 556027.5836 4.7961 4.9185 PRESSURE: 3554400 -51.5319 20.3037 87.0058 20.3034 -44.8395 163.176 87.0052 163.178 -145.321 GPRESSURE: 3554400 -29.2327 120.857 134.678 -52.8378 -65.7115 204.314 76.6995 147.48 -56.0514 PRESSAVG: 3554400 13.7533 31.276 16.8765 31.2761 -25.9231 4.40434 16.8764 4.40436 49.5609 GPRESSAVG: 3554400 12.5702 32.4369 18.0252 30.1637 -26.0127 6.52725 16.2108 4.66621 50.6408 TIMING: 3554400 CPU: 10577.8, 0.00294577/step Wall: 10577.8, 0.00294577/step, 1.18289 hours remaining, 207.453125 MB of memory in use. ENERGY: 3554400 704.4678 2092.2158 1931.5601 119.4390 -206114.3897 17502.3861 0.0000 0.0000 34618.9969 -149145.3240 302.3363 -183764.3209 -149046.5136 298.7435 -80.5641 -50.3318 555405.3058 12.4637 12.3994 PRESSURE: 3554600 -14.6056 19.1976 83.1345 19.1981 -130.781 -131.111 83.1352 -131.11 -76.17 GPRESSURE: 3554600 -29.2146 31.8754 45.6104 -37.5772 -46.8584 -119.176 133.302 -247.338 -45.2758 PRESSAVG: 3554600 28.0999 19.9967 27.8137 19.9968 -11.8887 15.2177 27.8138 15.2178 5.2533 GPRESSAVG: 3554600 28.7911 21.8086 25.6853 17.6417 -10.9929 14.8293 28.9883 15.1421 4.17563 TIMING: 3554600 CPU: 10578.4, 0.00293473/step Wall: 10578.4, 0.00293473/step, 1.17829 hours remaining, 207.453125 MB of memory in use. ENERGY: 3554600 752.5429 2048.1027 1921.6845 117.8432 -206232.7402 17739.5354 0.0000 0.0000 34200.7498 -149452.2818 298.6837 -183653.0315 -149352.9807 299.5244 -73.8523 -40.4496 557956.5571 7.1548 7.3246 PRESSURE: 3554800 -321.626 -21.2472 -78.2568 -21.2474 112.33 75.816 -78.2568 75.8149 -27.2164 GPRESSURE: 3554800 -263.308 102.422 6.02733 -29.0262 151.604 28.0962 -63.2706 61.2071 -27.7764 PRESSAVG: 3554800 7.65541 -20.2727 -20.4029 -20.2726 12.6919 -25.1879 -20.4029 -25.1879 -31.5476 GPRESSAVG: 3554800 7.06565 -20.4355 -18.1971 -20.2104 12.5045 -25.6074 -19.8972 -24.3636 -31.3427 TIMING: 3554800 CPU: 10578.9, 0.00292922/step Wall: 10578.9, 0.00292922/step, 1.17592 hours remaining, 207.453125 MB of memory in use. ENERGY: 3554800 780.8026 2072.4177 1948.8704 116.8563 -206571.4145 17795.3226 0.0000 0.0000 34268.2080 -149588.9371 299.2728 -183857.1450 -149498.2237 299.2745 -78.8374 -46.4937 556815.9650 -3.7334 -3.9242 PRESSURE: 3555000 79.6188 -156.428 55.8889 -156.429 -36.3843 230.87 55.8889 230.87 170.733 GPRESSURE: 3555000 98.7959 -278.65 46.6283 -136.718 -6.93012 277.678 39.3033 222.437 224.612 PRESSAVG: 3555000 -19.7431 -36.3278 -24.4799 -36.3279 -15.2671 17.402 -24.4799 17.4021 48.4354 GPRESSAVG: 3555000 -19.0835 -38.9602 -26.9891 -33.9865 -15.5453 17.7703 -24.7065 17.2555 48.0149 TIMING: 3555000 CPU: 10579.5, 0.00294343/step Wall: 10579.5, 0.00294343/step, 1.18146 hours remaining, 207.453125 MB of memory in use. ENERGY: 3555000 753.2087 2088.8563 1933.7431 103.7046 -206494.2214 17919.7904 0.0000 0.0000 34225.6955 -149469.2229 298.9015 -183694.9183 -149376.5887 299.2572 71.3225 105.4924 556744.4560 4.4751 4.4620 PRESSURE: 3555200 -69.1929 -62.0828 -1.06279 -62.0829 -124.73 -3.09158 -1.06268 -3.09172 -44.323 GPRESSURE: 3555200 -16.2733 -42.4454 -50.322 -48.5694 -61.1734 -54.2397 34.4147 33.6472 -57.0562 PRESSAVG: 3555200 -16.0492 -30.7407 38.1387 -30.7407 37.2945 27.956 38.1386 27.9561 -8.05297 GPRESSAVG: 3555200 -16.4648 -30.1658 41.6133 -30.618 37.3222 28.7549 36.2348 29.2512 -7.6336 TIMING: 3555200 CPU: 10580.1, 0.00295392/step Wall: 10580.1, 0.00295392/step, 1.18551 hours remaining, 207.453125 MB of memory in use. ENERGY: 3555200 716.4000 2069.5483 1946.3711 112.0530 -206093.3852 17546.2541 0.0000 0.0000 34193.0249 -149509.7338 298.6162 -183702.7586 -149413.3531 298.6302 -79.4155 -44.8343 555913.2278 4.3974 4.4079 PRESSURE: 3555400 -47.6166 -47.8495 -31.7047 -47.8498 66.2554 22.5045 -31.7054 22.5038 -191.417 GPRESSURE: 3555400 -26.7908 -28.5476 64.5107 22.7722 112.93 -31.7074 -68.7247 -20.9117 -162.238 PRESSAVG: 3555400 36.7842 -8.46009 -18.7976 -8.46006 6.64221 10.9562 -18.7976 10.9562 -49.5189 GPRESSAVG: 3555400 36.7989 -9.2102 -23.1 -9.01357 6.85571 11.2429 -17.2309 9.25751 -50.1122 TIMING: 3555400 CPU: 10580.7, 0.00292855/step Wall: 10580.7, 0.00292855/step, 1.17516 hours remaining, 207.453125 MB of memory in use. ENERGY: 3555400 758.2138 2109.8725 1951.0141 118.6537 -206353.3466 17800.5643 0.0000 0.0000 34187.5543 -149427.4740 298.5684 -183615.0283 -149331.4328 299.0206 -57.5927 -25.3665 558383.4270 -2.0309 -2.1525 PRESSURE: 3555600 -232.966 3.47214 -33.5736 3.47204 -114.395 95.1115 -33.5753 95.1096 -181.55 GPRESSURE: 3555600 -227.335 41.0984 46.2509 16.8915 -34.611 21.2088 -71.722 136.59 -173.77 PRESSAVG: 3555600 -14.2852 -24.9042 -57.1386 -24.9042 47.2128 34.3759 -57.1385 34.3759 4.66997 GPRESSAVG: 3555600 -15.2887 -24.6408 -54.5021 -25.9133 48.1564 34.2691 -58.8196 35.7961 5.07419 TIMING: 3555600 CPU: 10581.3, 0.00291722/step Wall: 10581.3, 0.00291722/step, 1.17045 hours remaining, 207.453125 MB of memory in use. ENERGY: 3555600 729.5008 2061.2151 1957.2257 116.1619 -206070.1024 17583.4827 0.0000 0.0000 34298.8912 -149323.6249 299.5407 -183622.5162 -149226.1724 298.7166 -176.3037 -145.2388 558013.2101 12.5325 12.6473 PRESSURE: 3555800 154.882 145.979 152.695 145.979 50.3632 55.0968 152.695 55.0963 207.16 GPRESSURE: 3555800 202.665 176.179 167.943 154.702 136.083 62.565 104.376 -28.0289 165.181 PRESSAVG: 3555800 41.5324 10.8986 -23.2057 10.8987 -30.3315 7.14373 -23.2056 7.14381 -0.541951 GPRESSAVG: 3555800 42.676 12.349 -23.8524 11.6502 -30.9241 6.75052 -24.1117 5.87961 -1.35972 TIMING: 3555800 CPU: 10581.9, 0.00291906/step Wall: 10581.9, 0.00291906/step, 1.17103 hours remaining, 207.453125 MB of memory in use. ENERGY: 3555800 735.7956 2063.0721 1941.9202 108.7121 -206502.6676 18036.6831 0.0000 0.0000 34374.9675 -149241.5170 300.2051 -183616.4845 -149138.4044 299.2166 137.4683 167.9761 556965.3938 3.5530 3.4641 PRESSURE: 3556000 -56.683 -0.0874627 -71.6501 -0.0880892 58.0368 105.792 -71.6503 105.792 135.98 GPRESSURE: 3556000 -5.12413 -98.6848 -44.3562 65.9057 47.7964 94.5472 -96.3909 13.3484 180.764 PRESSAVG: 3556000 -34.6275 79.731 3.76625 79.7311 -1.88773 22.2406 3.76619 22.2406 5.11352 GPRESSAVG: 3556000 -34.2762 78.6192 3.77302 79.3765 -2.0734 21.6586 7.83652 22.7899 4.4057 TIMING: 3556000 CPU: 10582.5, 0.00295492/step Wall: 10582.5, 0.00295492/step, 1.18525 hours remaining, 207.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3556000 738.8731 2133.4550 1944.7369 111.4522 -206476.9646 17980.5708 0.0000 0.0000 34411.9150 -149155.9617 300.5278 -183567.8767 -149057.4616 299.1072 45.7778 74.4788 558174.4605 -10.4672 -10.6480 PRESSURE: 3556200 167.544 76.3354 -56.8623 76.3346 20.6395 -12.8823 -56.8624 -12.8832 -142.029 GPRESSURE: 3556200 215.212 81.2843 -64.9538 159.582 73.9042 -8.71927 7.15579 -23.8452 -133.6 PRESSAVG: 3556200 50.4327 -12.6513 -23.2854 -12.6513 -71.9019 48.5805 -23.2854 48.5805 20.8715 GPRESSAVG: 3556200 50.3884 -13.0921 -22.2944 -13.257 -71.3743 49.1027 -25.846 47.6898 20.8721 TIMING: 3556200 CPU: 10583.1, 0.00293566/step Wall: 10583.1, 0.00293566/step, 1.17736 hours remaining, 207.453125 MB of memory in use. ENERGY: 3556200 755.6574 2058.7427 1980.0540 107.1673 -206206.1231 17675.0805 0.0000 0.0000 34368.9203 -149260.5009 300.1523 -183629.4212 -149163.9155 299.1857 15.3846 51.8390 557438.3021 -0.1992 -0.0380 LDB: ============= START OF LOAD BALANCING ============== 10586.6 LDB: ============== END OF LOAD BALANCING =============== 10586.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10586.6 LDB: ============= START OF LOAD BALANCING ============== 10586.9 LDB: Largest compute 4802 load 0.024683 is 20.9% of average load 0.118251 LDB: Average compute 0.001738 is 1.5% of average load 0.118251 LDB: TIME 10586.9 LOAD: AVG 0.118251 MAX 0.197328 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 10586.9 LOAD: AVG 0.118251 MAX 0.197328 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.453 MB LDB: TIME 10586.9 LOAD: AVG 0.118251 MAX 0.197328 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.453 MB LDB: ============== END OF LOAD BALANCING =============== 10586.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10586.9 PRESSURE: 3556400 -219.415 -138.739 125.233 -138.739 31.8136 -189.184 125.232 -189.183 -74.5202 GPRESSURE: 3556400 -135.081 -118.918 169.505 -115.101 45.2028 -168.413 175.634 -92.1388 -71.526 PRESSAVG: 3556400 -72.513 -15.6592 23.2568 -15.6592 -13.8943 -36.9622 23.2567 -36.9622 38.9814 GPRESSAVG: 3556400 -72.3804 -15.1755 24.4755 -15.8239 -15.0171 -36.6576 23.9612 -36.2875 39.7851 TIMING: 3556400 CPU: 10583.7, 0.00299974/step Wall: 10583.7, 0.00299974/step, 1.2029 hours remaining, 207.253906 MB of memory in use. ENERGY: 3556400 787.6751 2129.6148 1946.4430 112.2247 -206216.1135 17776.1522 0.0000 0.0000 34145.9894 -149318.0142 298.2054 -183464.0036 -149217.7208 299.8262 -87.3740 -53.8013 557819.8121 -15.8086 -15.8708 PRESSURE: 3556600 48.9779 32.4415 -75.2356 32.4427 -149.012 -39.4378 -75.236 -39.4385 27.6807 GPRESSURE: 3556600 58.1641 123.345 -85.8001 -51.6084 -88.4836 13.7693 -75.8467 -101.747 46.8657 PRESSAVG: 3556600 20.7885 22.3895 -9.62331 22.3895 -21.6922 -34.0258 -9.62327 -34.0257 33.1307 GPRESSAVG: 3556600 19.3263 23.0234 -10.4034 20.0506 -20.6157 -32.2956 -9.42863 -35.6392 33.1591 TIMING: 3556600 CPU: 10584.2, 0.00292857/step Wall: 10584.2, 0.00292857/step, 1.17419 hours remaining, 207.253906 MB of memory in use. ENERGY: 3556600 742.9297 2054.0052 1953.5415 112.2908 -206350.0145 17718.8386 0.0000 0.0000 34377.7250 -149390.6838 300.2292 -183768.4088 -149294.1525 298.7221 -24.1177 5.5154 557076.3704 10.7423 10.6232 PRESSURE: 3556800 420.167 -43.3994 -81.2781 -43.3989 313.419 140.764 -81.2772 140.765 -17.0506 GPRESSURE: 3556800 454.692 -115.474 54.786 5.44145 339.887 176.045 -71.333 163.086 21.5298 PRESSAVG: 3556800 49.5271 36.6957 -31.721 36.6956 -38.0823 70.8136 -31.721 70.8136 -7.05323 GPRESSAVG: 3556800 50.1846 36.0763 -31.192 38.5174 -39.317 67.4051 -32.9844 73.6805 -6.84806 TIMING: 3556800 CPU: 10584.8, 0.00294849/step Wall: 10584.8, 0.00294849/step, 1.18202 hours remaining, 207.292969 MB of memory in use. ENERGY: 3556800 696.2083 2064.3288 1932.0152 119.1713 -207148.4581 18463.2982 0.0000 0.0000 34340.1000 -149533.3362 299.9006 -183873.4363 -149439.2035 299.3453 238.8452 272.0361 558216.4697 1.4639 1.3398 PRESSURE: 3557000 4.22919 -48.0105 -32.9708 -48.0101 -126.138 42.0393 -32.9702 42.0393 10.3732 GPRESSURE: 3557000 22.6275 -100.719 -31.9588 -35.9421 -28.0146 6.15878 58.7001 84.2058 -9.46815 PRESSAVG: 3557000 58.2879 -40.5163 7.34503 -40.5164 -28.5654 35.1074 7.34515 35.1077 -14.1073 GPRESSAVG: 3557000 59.4699 -40.6175 6.4875 -41.6971 -28.1994 37.0531 9.07699 34.1024 -15.3178 TIMING: 3557000 CPU: 10585.4, 0.00296231/step Wall: 10585.4, 0.00296231/step, 1.18739 hours remaining, 207.292969 MB of memory in use. ENERGY: 3557000 723.6818 2065.8027 1959.7583 137.3189 -206543.0623 17832.9570 0.0000 0.0000 34278.1822 -149545.3613 299.3599 -183823.5436 -149442.1147 298.6254 -37.1786 -4.9517 558859.4945 5.2051 5.3176 PRESSURE: 3557200 -100.604 -129.364 168.308 -129.363 95.2101 -10.2318 168.308 -10.2321 124.14 GPRESSURE: 3557200 -66.7935 -155.479 59.4766 -172.099 164.043 22.8339 266.621 -25.9627 108.843 PRESSAVG: 3557200 -26.1859 33.2628 -61.5242 33.2628 2.33457 -16.5084 -61.5241 -16.5084 17.0293 GPRESSAVG: 3557200 -26.8667 33.4747 -61.4886 34.495 2.39767 -17.6754 -62.5504 -16.1573 17.2391 TIMING: 3557200 CPU: 10586, 0.00296724/step Wall: 10586, 0.00296724/step, 1.1892 hours remaining, 207.292969 MB of memory in use. ENERGY: 3557200 724.5743 2112.8014 1939.1385 114.7641 -206804.6625 18064.3217 0.0000 0.0000 34258.8263 -149590.2363 299.1909 -183849.0626 -149493.3979 298.6813 39.5818 68.6977 557707.0264 -2.2740 -2.4100 PRESSURE: 3557400 -103.228 -56.9417 -71.4904 -56.9429 -211.382 4.72016 -71.4921 4.71907 -56.3722 GPRESSURE: 3557400 -59.0442 -71.866 -35.0791 -43.5008 -175.516 13.2701 -132.131 9.61282 -41.3276 PRESSAVG: 3557400 28.1397 -21.5031 -55.2306 -21.503 -48.7912 -3.67917 -55.2306 -3.67915 20.4187 GPRESSAVG: 3557400 26.6665 -21.7108 -54.33 -21.7001 -47.8802 -3.7107 -56.3449 -2.94025 20.675 TIMING: 3557400 CPU: 10586.6, 0.00300431/step Wall: 10586.6, 0.00300431/step, 1.2039 hours remaining, 207.292969 MB of memory in use. ENERGY: 3557400 752.3685 2096.2096 1917.1004 117.6993 -206198.8288 17534.6369 0.0000 0.0000 34144.2711 -149636.5430 298.1904 -183780.8141 -149540.4225 298.7000 -123.6607 -91.9625 557430.3832 -0.0776 -0.1795 PRESSURE: 3557600 28.5431 -66.7126 2.25386 -66.7118 -137.263 -126.918 2.25431 -126.918 80.6107 GPRESSURE: 3557600 64.7419 -60.2542 39.1087 -15.1338 -117.643 -184.309 -30.2584 -138.122 112.413 PRESSAVG: 3557600 67.06 -33.7801 -59.2426 -33.7799 2.15384 22.1433 -59.2428 22.1432 -16.5838 GPRESSAVG: 3557600 66.6768 -32.0697 -59.1346 -34.9699 3.16003 23.5678 -60.1571 20.3971 -17.1504 TIMING: 3557600 CPU: 10587.2, 0.00297733/step Wall: 10587.2, 0.00297733/step, 1.19292 hours remaining, 207.292969 MB of memory in use. ENERGY: 3557600 757.4897 2091.3268 1925.3328 104.1504 -206112.7054 17670.3606 0.0000 0.0000 34015.3986 -149548.6466 297.0649 -183564.0452 -149450.6811 298.7774 -9.3696 19.8374 556160.9881 17.5434 17.5621 PRESSURE: 3557800 -114.779 -70.8249 66.7149 -70.825 -377.494 -177.897 66.7152 -177.897 -182.538 GPRESSURE: 3557800 -68.1357 -166.145 88.1966 -62.2054 -356.526 -236.396 18.0183 -130.27 -166.897 PRESSAVG: 3557800 -21.3792 -43.458 -26.6466 -43.458 -40.9145 -24.6078 -26.6467 -24.6076 22.7419 GPRESSAVG: 3557800 -20.4312 -42.8248 -27.0474 -41.9505 -42.6124 -26.4182 -24.1608 -25.2094 23.3815 TIMING: 3557800 CPU: 10587.8, 0.00295198/step Wall: 10587.8, 0.00295198/step, 1.1826 hours remaining, 207.292969 MB of memory in use. ENERGY: 3557800 780.0503 2095.9313 1910.9411 104.3576 -205719.6977 17264.6504 0.0000 0.0000 34024.4521 -149539.3149 297.1440 -183563.7670 -149448.0745 298.4348 -224.9371 -197.1862 557762.5366 -13.1839 -13.2207 PRESSURE: 3558000 -215.654 118.151 2.66129 118.153 -42.9702 -211.236 2.66091 -211.238 -163.81 GPRESSURE: 3558000 -181.21 12.073 51.3516 168.554 -3.25702 -225.206 -21.8256 -169.271 -153.84 PRESSAVG: 3558000 -12.107 18.8118 1.18357 18.8118 -26.2679 -24.6445 1.18354 -24.6443 18.7385 GPRESSAVG: 3558000 -11.761 16.0772 0.626053 21.0018 -26.2643 -24.4335 -0.587557 -24.377 18.867 TIMING: 3558000 CPU: 10588.4, 0.00295792/step Wall: 10588.4, 0.00295792/step, 1.18481 hours remaining, 207.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3558000 777.4029 2022.0360 1929.8978 114.4403 -205946.6236 17614.9161 0.0000 0.0000 34198.5438 -149289.3866 298.6644 -183487.9304 -149185.3001 298.7676 -140.8114 -112.7690 557134.3051 -6.5455 -6.3861 PRESSURE: 3558200 198.068 -47.8729 105.833 -47.8724 189.1 -92.3223 105.834 -92.3216 -256.087 GPRESSURE: 3558200 243.646 -95.7481 71.361 -37.3248 209.971 -90.2332 63.8888 -25.3909 -232.884 PRESSAVG: 3558200 4.35655 11.6212 -25.8573 11.6212 -2.9519 -12.6114 -25.8573 -12.6113 42.3481 GPRESSAVG: 3558200 4.49188 10.5814 -26.11 10.1022 -2.33642 -11.2707 -24.2732 -10.7688 41.4375 TIMING: 3558200 CPU: 10589, 0.00293402/step Wall: 10589, 0.00293402/step, 1.17508 hours remaining, 207.292969 MB of memory in use. ENERGY: 3558200 784.5161 2144.8422 1925.5170 108.1825 -206355.4051 17904.4024 0.0000 0.0000 34248.2454 -149239.6996 299.0984 -183487.9450 -149145.4549 299.0306 43.6938 73.5779 557532.3823 14.5842 14.5310 PRESSURE: 3558400 -119.883 90.2581 85.9121 90.2586 117.555 -81.4068 85.9127 -81.4074 166.263 GPRESSURE: 3558400 -107.497 100.897 68.5375 34.1157 154.166 -82.5431 30.9695 -14.7778 223.264 PRESSAVG: 3558400 74.457 -9.32567 62.748 -9.32575 16.9041 12.1885 62.748 12.1885 -23.4928 GPRESSAVG: 3558400 73.9431 -6.71687 64.9481 -10.5055 16.1356 11.9384 61.9236 10.5059 -21.7535 TIMING: 3558400 CPU: 10589.6, 0.00293976/step Wall: 10589.6, 0.00293976/step, 1.17721 hours remaining, 207.292969 MB of memory in use. ENERGY: 3558400 702.7234 2089.9802 1963.0084 119.7409 -206233.6141 17793.5103 0.0000 0.0000 34228.1645 -149336.4865 298.9231 -183564.6510 -149230.5457 299.0709 54.6451 89.9776 557030.7592 22.6227 22.7751 PRESSURE: 3558600 -129.135 -51.913 -83.2694 -51.9142 221.312 59.0723 -83.2689 59.0719 149.483 GPRESSURE: 3558600 -25.9431 -4.45634 -74.4376 -102.989 209.407 14.9588 -70.5904 24.8968 151.577 PRESSAVG: 3558600 -20.3442 -25.1842 13.7442 -25.1842 4.74429 -14.2049 13.7442 -14.2048 26.4177 GPRESSAVG: 3558600 -18.9106 -26.4674 11.196 -24.1535 3.47888 -13.2667 14.817 -14.2335 26.4965 TIMING: 3558600 CPU: 10590.2, 0.00294407/step Wall: 10590.2, 0.00294407/step, 1.17877 hours remaining, 207.292969 MB of memory in use. ENERGY: 3558600 746.7153 2087.9231 1951.9189 102.8229 -206568.9714 18044.6535 0.0000 0.0000 34287.2136 -149347.7242 299.4388 -183634.9378 -149250.4492 298.7473 80.5534 111.6804 556092.2690 3.6059 3.6883 PRESSURE: 3558800 -243.78 -140.002 32.9353 -140 156.467 -105.011 32.9356 -105.011 -28.3002 GPRESSURE: 3558800 -270.021 -137.301 32.8492 -150.913 204.331 -134.291 54.3652 -81.3135 49.6247 PRESSAVG: 3558800 -17.9016 -38.2701 46.2954 -38.2701 58.3564 -4.29398 46.2954 -4.29394 22.4724 GPRESSAVG: 3558800 -19.3208 -38.6297 48.1614 -38.9285 58.7213 -6.11132 44.1789 -5.23227 23.3894 TIMING: 3558800 CPU: 10590.7, 0.00293376/step Wall: 10590.7, 0.00293376/step, 1.17448 hours remaining, 207.292969 MB of memory in use. ENERGY: 3558800 750.3673 2053.3987 1946.9943 99.3931 -206303.2955 17847.3489 0.0000 0.0000 34201.8188 -149403.9742 298.6930 -183605.7930 -149298.9890 299.2993 -38.5378 -5.3549 558314.5460 20.9757 20.9300 PRESSURE: 3559000 -34.6569 170.888 17.8686 170.888 -347.01 -16.9704 17.8695 -16.969 -24.9096 GPRESSURE: 3559000 25.9871 89.2051 -8.99664 193.774 -283.652 -62.2072 29.067 -138.355 -41.7418 PRESSAVG: 3559000 37.4361 23.3118 41.9964 23.3119 61.4014 -19.3624 41.9964 -19.3623 -2.99132 GPRESSAVG: 3559000 37.6355 25.6347 41.641 22.7327 61.9361 -18.3124 44.1583 -19.1556 -3.89118 TIMING: 3559000 CPU: 10591.3, 0.00293604/step Wall: 10591.3, 0.00293604/step, 1.17523 hours remaining, 207.292969 MB of memory in use. ENERGY: 3559000 788.8949 2140.1987 1955.7738 114.1422 -206329.9601 17757.5925 0.0000 0.0000 34246.5959 -149326.7621 299.0840 -183573.3580 -149234.3026 299.5576 -135.5254 -99.8023 557654.4084 31.9487 31.8935 PRESSURE: 3559200 -69.1324 0.529955 -4.26276 0.530194 -49.9932 -64.4232 -4.26177 -64.4222 -216.814 GPRESSURE: 3559200 42.7263 53.5265 -31.3006 -22.0168 -55.4906 -78.051 -12.8062 -84.8118 -220.034 PRESSAVG: 3559200 10.1925 57.2464 21.0158 57.2465 -33.9437 -52.6188 21.0158 -52.6188 28.5758 GPRESSAVG: 3559200 11.6483 53.8623 20.7796 58.5075 -34.4064 -53.3364 19.6123 -50.7578 27.0831 TIMING: 3559200 CPU: 10591.9, 0.00294958/step Wall: 10591.9, 0.00294958/step, 1.18049 hours remaining, 207.292969 MB of memory in use. ENERGY: 3559200 769.3300 2180.4548 1942.8142 120.4838 -206052.7249 17583.7016 0.0000 0.0000 34248.5097 -149207.4308 299.1008 -183455.9405 -149114.5591 299.0437 -111.9799 -77.5995 559231.4101 1.6082 1.4417 PRESSURE: 3559400 2.96488 23.9558 87.3104 23.9556 -97.8963 -7.34148 87.3102 -7.3421 -155.9 GPRESSURE: 3559400 1.72568 68.1349 51.2445 6.47415 -67.1739 15.0896 100.503 -38.8365 -82.0096 PRESSAVG: 3559400 -19.1284 -5.27619 -21.4399 -5.27612 0.530155 -37.4501 -21.4399 -37.4501 -16.4124 GPRESSAVG: 3559400 -20.3954 -4.42491 -19.729 -5.37198 1.09806 -38.3378 -20.6766 -35.9598 -16.3555 TIMING: 3559400 CPU: 10592.5, 0.00293767/step Wall: 10592.5, 0.00293767/step, 1.17556 hours remaining, 207.292969 MB of memory in use. ENERGY: 3559400 749.5140 2074.6590 1945.0380 120.1933 -206548.7769 17952.8290 0.0000 0.0000 34457.2583 -149249.2853 300.9238 -183706.5436 -149157.5257 299.7499 -83.6104 -49.1526 558351.1218 -11.6702 -11.8843 PRESSURE: 3559600 147.592 68.0301 -111.58 68.0301 76.2715 -94.2107 -111.58 -94.2097 55.5919 GPRESSURE: 3559600 178.207 61.3523 -158.708 103.246 103.741 -151.274 -127.037 -15.6124 97.5636 PRESSAVG: 3559600 -26.3178 19.8518 18.7758 19.8518 88.9729 2.2747 18.7757 2.27458 -41.4515 GPRESSAVG: 3559600 -26.5929 20.2316 17.9809 20.7972 88.9456 2.1222 17.607 0.253819 -41.0563 TIMING: 3559600 CPU: 10593.1, 0.00295314/step Wall: 10593.1, 0.00295314/step, 1.18159 hours remaining, 207.292969 MB of memory in use. ENERGY: 3559600 750.9982 2122.5175 1940.6492 102.0397 -206538.3797 17963.4900 0.0000 0.0000 34474.8039 -149183.8811 301.0770 -183658.6850 -149094.8817 300.1071 93.1518 126.5039 557217.0367 7.0679 7.0988 PRESSURE: 3559800 -6.0349 87.8545 145.822 87.8545 -93.4462 -86.3195 145.821 -86.3192 -13.8414 GPRESSURE: 3559800 28.1215 55.2386 127.43 137.793 -83.4144 -46.6908 165.764 -132.816 36.2735 PRESSAVG: 3559800 -47.0801 -12.7582 4.62108 -12.7582 24.06 9.10921 4.6212 9.10929 4.18323 GPRESSAVG: 3559800 -45.8875 -12.3301 4.34906 -14.0772 21.7561 10.6615 4.71259 8.87488 5.2002 TIMING: 3559800 CPU: 10593.7, 0.00293509/step Wall: 10593.7, 0.00293509/step, 1.1742 hours remaining, 207.359375 MB of memory in use. ENERGY: 3559800 736.6521 2133.3159 1938.1270 106.2097 -206041.9483 17734.7131 0.0000 0.0000 34354.4079 -149038.5227 300.0256 -183392.9306 -148940.3259 299.9489 -37.7741 -6.3398 557393.2242 -6.2790 -6.3104 PRESSURE: 3560000 139.776 53.326 84.2791 53.3248 -244.401 -7.21996 84.2792 -7.2189 -83.1163 GPRESSURE: 3560000 157.67 127.381 103.098 95.1125 -198.947 -68.0739 0.0539681 -8.93764 -49.6753 PRESSAVG: 3560000 -31.5846 56.7178 43.1963 56.7177 26.0745 0.876494 43.1963 0.876581 34.7352 GPRESSAVG: 3560000 -32.3941 56.203 43.2029 57.5462 28.1763 -0.554866 44.1085 1.7201 33.5813 TIMING: 3560000 CPU: 10594.3, 0.00291001/step Wall: 10594.3, 0.00291001/step, 1.164 hours remaining, 207.359375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3560000 764.0581 2093.1063 1968.1700 110.9615 -206216.9942 17840.4579 0.0000 0.0000 34395.9591 -149044.2812 300.3885 -183440.2403 -148943.7290 300.6764 -62.5806 -30.3174 557301.6277 9.7417 9.7878 PRESSURE: 3560200 155.606 -52.9737 55.2334 -52.9735 36.3636 20.6376 55.2328 20.6398 82.8583 GPRESSURE: 3560200 183.923 -114.444 62.4786 52.4941 34.6153 -42.833 71.1531 39.7413 154.098 PRESSAVG: 3560200 12.1945 -33.2239 4.79113 -33.2238 -4.41726 29.8102 4.79107 29.8103 22.602 GPRESSAVG: 3560200 12.1748 -33.8888 3.08436 -33.4557 -4.07016 30.8646 4.27819 28.0347 22.2741 TIMING: 3560200 CPU: 10594.9, 0.0029228/step Wall: 10594.9, 0.0029228/step, 1.16896 hours remaining, 207.359375 MB of memory in use. ENERGY: 3560200 762.1877 2103.7311 1963.8204 102.3026 -206523.2133 18229.9037 0.0000 0.0000 34211.1546 -149150.1132 298.7745 -183361.2679 -149049.2871 300.1599 91.6093 124.2119 557353.1691 10.1264 10.1263 LDB: ============= START OF LOAD BALANCING ============== 10598.4 LDB: ============== END OF LOAD BALANCING =============== 10598.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10598.4 LDB: ============= START OF LOAD BALANCING ============== 10598.7 LDB: Largest compute 4802 load 0.025669 is 21.7% of average load 0.118268 LDB: Average compute 0.001739 is 1.5% of average load 0.118268 LDB: TIME 10598.7 LOAD: AVG 0.118268 MAX 0.197292 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.512 MB LDB: TIME 10598.7 LOAD: AVG 0.118268 MAX 0.197292 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.715 MB LDB: TIME 10598.7 LOAD: AVG 0.118268 MAX 0.197292 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10598.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10598.7 PRESSURE: 3560400 -202.938 -82.3855 -76.8278 -82.3857 -51.1069 -11.9409 -76.8275 -11.9421 43.4069 GPRESSURE: 3560400 -126.154 -46.4189 -127.507 -89.0863 -36.5016 57.1046 19.7535 1.53417 40.9436 PRESSAVG: 3560400 32.8755 12.4607 -35.5869 12.4606 -15.893 -16.8609 -35.5869 -16.8608 -2.34247 GPRESSAVG: 3560400 32.0857 11.851 -33.977 11.3074 -16.3741 -16.7849 -35.9369 -16.3168 -1.31041 TIMING: 3560400 CPU: 10595.4, 0.00299935/step Wall: 10595.4, 0.00299935/step, 1.19941 hours remaining, 208.023438 MB of memory in use. ENERGY: 3560400 750.9475 2125.2561 1945.3838 123.9764 -206025.2672 17803.9043 0.0000 0.0000 34176.6360 -149099.1632 298.4731 -183275.7993 -148996.5250 299.7273 -70.2127 -40.5707 558226.1124 4.8800 4.8004 PRESSURE: 3560600 61.5915 90.6953 99.9621 90.6953 66.0154 127.486 99.9621 127.486 211.597 GPRESSURE: 3560600 102.334 90.5141 104.835 88.7262 117.342 91.6872 15.14 110.599 207.742 PRESSAVG: 3560600 -16.1907 -2.46999 -48.331 -2.46986 38.4012 70.7879 -48.331 70.7879 -40.4466 GPRESSAVG: 3560600 -14.5021 -1.519 -49.1064 -1.76154 36.9699 70.8624 -49.9298 70.5002 -41.2797 TIMING: 3560600 CPU: 10596, 0.00293926/step Wall: 10596, 0.00293926/step, 1.17521 hours remaining, 208.023438 MB of memory in use. ENERGY: 3560600 748.7148 2138.8431 1947.8359 124.1671 -206327.4458 17882.9474 0.0000 0.0000 34282.5688 -149202.3686 299.3982 -183484.9374 -149111.3476 300.0814 113.0680 142.4724 555009.3127 -6.0787 -6.2706 PRESSURE: 3560800 -48.8786 166.345 -24.1854 166.346 25.3921 -183.735 -24.1857 -183.735 12.5148 GPRESSURE: 3560800 -23.8097 100.086 24.4034 231.093 89.7254 -168 28.8224 -168.703 23.5833 PRESSAVG: 3560800 36.3665 23.5221 -46.601 23.522 1.03923 48.358 -46.601 48.358 19.7963 GPRESSAVG: 3560800 34.2067 22.5789 -46.2883 24.6895 2.33201 46.0026 -45.5129 51.6385 20.7518 TIMING: 3560800 CPU: 10596.6, 0.00294245/step Wall: 10596.6, 0.00294245/step, 1.17633 hours remaining, 208.023438 MB of memory in use. ENERGY: 3560800 779.3903 2026.8264 1935.0694 112.1678 -206456.7991 17871.2153 0.0000 0.0000 34513.8515 -149218.2784 301.4180 -183732.1299 -149119.9218 299.9148 -3.6572 29.8330 556544.9427 19.0674 19.0968 PRESSURE: 3561000 84.4056 94.9912 -167.487 94.9916 -133.085 0.00633898 -167.487 0.00640743 62.6178 GPRESSURE: 3561000 164.553 76.2351 -133.894 118.926 -132.145 0.945291 -221.559 -24.9673 72.0367 PRESSAVG: 3561000 -22.788 48.5493 -62.381 48.5493 18.7997 -11.4418 -62.3811 -11.4418 -6.7935 GPRESSAVG: 3561000 -20.7509 51.3217 -60.6707 48.3115 17.9902 -9.30014 -61.2983 -14.9244 -8.09481 TIMING: 3561000 CPU: 10597.2, 0.00292545/step Wall: 10597.2, 0.00292545/step, 1.16937 hours remaining, 208.023438 MB of memory in use. ENERGY: 3561000 763.3271 2063.3800 1942.5272 116.6416 -206560.9885 18017.7854 0.0000 0.0000 34414.8835 -149242.4438 300.5537 -183657.3273 -149134.8861 299.8716 4.6463 34.8149 558535.5368 -3.5939 -3.6185 PRESSURE: 3561200 -170.753 -69.1007 39.1822 -69.1024 55.7277 -50.4945 39.1827 -50.4957 -207.029 GPRESSURE: 3561200 -133.542 -77.1594 26.1861 -164.29 47.2671 -30.0642 89.6399 10.7488 -142.698 PRESSAVG: 3561200 6.88335 30.7254 2.54311 30.7254 -44.3898 15.0388 2.5431 15.0388 59.2907 GPRESSAVG: 3561200 6.22485 28.927 -0.526563 29.3567 -43.796 15.189 3.32182 15.8554 59.4172 TIMING: 3561200 CPU: 10597.8, 0.00292686/step Wall: 10597.8, 0.00292686/step, 1.16977 hours remaining, 208.023438 MB of memory in use. ENERGY: 3561200 733.9098 2052.3682 1952.8142 118.1031 -206134.1899 17711.7519 0.0000 0.0000 34201.9977 -149363.2451 298.6946 -183565.2427 -149266.2107 298.8638 -107.3514 -76.3243 557866.3403 7.2614 7.2820 PRESSURE: 3561400 -201.967 6.6543 71.545 6.65356 143.155 -44.562 71.5445 -44.562 76.8141 GPRESSURE: 3561400 -179.372 45.5615 76.9281 -9.62148 198.156 46.3965 142.996 -119.343 110.913 PRESSAVG: 3561400 -17.7992 26.9134 18.8421 26.9135 -9.74646 -23.7288 18.8422 -23.7287 18.0283 GPRESSAVG: 3561400 -17.5235 28.5658 22.1376 25.8369 -9.6328 -24.6675 17.2151 -25.9887 17.7633 TIMING: 3561400 CPU: 10598.4, 0.00292842/step Wall: 10598.4, 0.00292842/step, 1.17023 hours remaining, 208.023438 MB of memory in use. ENERGY: 3561400 778.4315 2002.6827 1938.1212 98.7982 -206521.3967 17826.1500 0.0000 0.0000 34378.0129 -149499.2001 300.2317 -183877.2130 -149402.9537 298.9937 6.0008 43.2323 555934.6001 -3.1725 -3.1310 PRESSURE: 3561600 -0.433367 35.1928 154.84 35.1937 -3.74229 -68.453 154.841 -68.4531 40.5977 GPRESSURE: 3561600 -13.5146 5.22751 187.105 -21.6208 73.1646 -130.648 103.031 -98.2274 73.177 PRESSAVG: 3561600 -34.9802 -7.38412 50.3562 -7.38413 2.06661 45.0065 50.3563 45.0064 24.6968 GPRESSAVG: 3561600 -34.1942 -9.82756 48.4223 -6.67858 1.89926 46.3753 52.3205 46.8183 24.1137 TIMING: 3561600 CPU: 10599, 0.00294802/step Wall: 10599, 0.00294802/step, 1.1779 hours remaining, 208.023438 MB of memory in use. ENERGY: 3561600 749.6603 2068.5472 1943.5444 116.8116 -205933.6624 17545.0836 0.0000 0.0000 34099.2022 -149410.8130 297.7968 -183510.0152 -149313.0133 298.4981 12.1407 44.2757 555341.4629 -2.7389 -2.7271 PRESSURE: 3561800 20.2555 -191.192 82.0437 -191.192 309.918 -132.177 82.0442 -132.176 279.762 GPRESSURE: 3561800 107.175 -157.599 82.556 -206.828 323.27 -182.552 72.3175 -116.133 285.677 PRESSAVG: 3561800 17.0768 7.55649 24.4957 7.55655 38.8802 21.9207 24.4958 21.9207 -4.00639 GPRESSAVG: 3561800 17.3188 6.90063 23.8875 7.86845 37.8841 22.6958 23.0424 19.6947 -3.40967 TIMING: 3561800 CPU: 10599.6, 0.00293724/step Wall: 10599.6, 0.00293724/step, 1.17343 hours remaining, 208.023438 MB of memory in use. ENERGY: 3561800 722.2637 2133.4621 1927.6057 127.4038 -206594.8033 18101.3242 0.0000 0.0000 34213.8536 -149368.8900 298.7981 -183582.7437 -149273.9829 298.6503 203.3116 238.7076 555306.7248 17.3169 17.2644 PRESSURE: 3562000 -125.361 -84.1508 15.6103 -84.1483 66.5392 6.16661 15.6106 6.16698 146.059 GPRESSURE: 3562000 -77.1033 -85.382 32.5642 -150.24 101.76 84.2234 36.5593 -24.5027 162.197 PRESSAVG: 3562000 8.21099 5.83489 31.4343 5.83486 22.311 -17.1913 31.4342 -17.1913 -27.8597 GPRESSAVG: 3562000 7.54484 9.58782 33.0649 6.89172 23.3309 -18.8143 31.5491 -15.5909 -28.1481 TIMING: 3562000 CPU: 10600.1, 0.00292279/step Wall: 10600.1, 0.00292279/step, 1.16749 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3562000 755.9638 2050.2359 1940.5689 116.5015 -206077.1242 17676.6565 0.0000 0.0000 34223.1846 -149314.0130 298.8796 -183537.1976 -149214.1050 299.0934 29.0791 62.2846 554981.9326 0.8874 0.9092 PRESSURE: 3562200 -222.307 183.958 72.2659 183.957 52.7627 89.7778 72.2671 89.7778 -223.005 GPRESSURE: 3562200 -172.739 193.267 58.7725 185.209 33.959 55.577 51.4111 136.265 -161.956 PRESSAVG: 3562200 -99.4016 8.54234 39.2044 8.54226 85.1509 24.7618 39.2044 24.7618 49.3715 GPRESSAVG: 3562200 -99.443 4.1425 38.0506 9.04307 83.9933 25.4944 38.2361 23.9008 50.9815 TIMING: 3562200 CPU: 10600.7, 0.00294124/step Wall: 10600.7, 0.00294124/step, 1.1747 hours remaining, 208.023438 MB of memory in use. ENERGY: 3562200 714.5833 2095.3146 1938.4613 124.3965 -206031.2488 17584.7335 0.0000 0.0000 34139.8072 -149433.9523 298.1514 -183573.7595 -149329.6097 299.1374 -130.8497 -100.2453 557445.2121 11.7069 11.8439 PRESSURE: 3562400 106.165 27.2194 -62.2778 27.2185 226.659 82.2789 -62.2774 82.2796 360.466 GPRESSURE: 3562400 144.993 120.119 -106.934 76.9079 289.586 128.581 39.8151 112.783 366.276 PRESSAVG: 3562400 31.3602 -5.65705 -0.662375 -5.657 -1.75531 28.0645 -0.662496 28.0646 -40.8756 GPRESSAVG: 3562400 31.9157 -2.77675 -1.20282 -7.97974 -0.659413 27.6901 -0.206646 27.9717 -42.9272 TIMING: 3562400 CPU: 10601.3, 0.00294342/step Wall: 10601.3, 0.00294342/step, 1.1754 hours remaining, 208.023438 MB of memory in use. ENERGY: 3562400 723.3982 2095.9729 1957.4000 121.2554 -206752.8361 18096.9872 0.0000 0.0000 34263.6279 -149494.1945 299.2328 -183757.8223 -149402.2021 298.3700 231.0967 266.9513 555351.8458 -3.7569 -3.8903 PRESSURE: 3562600 36.6212 29.66 -23.0942 29.6603 212.02 -154.749 -23.0944 -154.749 211.225 GPRESSURE: 3562600 87.3608 30.5503 -26.4734 3.72194 226.348 -206.966 -5.00606 -135.484 240.418 PRESSAVG: 3562600 3.18998 -50.0217 1.17647 -50.0217 28.3785 12.614 1.17637 12.6139 16.6697 GPRESSAVG: 3562600 2.3823 -51.7702 1.11367 -48.4693 26.9917 13.5743 2.97019 13.7072 18.3112 TIMING: 3562600 CPU: 10601.9, 0.00292859/step Wall: 10601.9, 0.00292859/step, 1.16932 hours remaining, 208.023438 MB of memory in use. ENERGY: 3562600 759.1427 2115.3229 1939.8264 115.0004 -206710.4801 17964.9556 0.0000 0.0000 34169.0082 -149647.2239 298.4064 -183816.2321 -149549.9370 298.2852 153.2888 184.7091 555256.1625 16.0794 15.8951 PRESSURE: 3562800 -268.14 -113.874 33.5237 -113.875 -60.576 101.507 33.525 101.506 12.8279 GPRESSURE: 3562800 -211.278 -132.688 10.6139 -109.386 -79.4978 91.0735 138.218 93.1499 81.1738 PRESSAVG: 3562800 -32.5092 -12.9885 -33.4534 -12.9885 24.6581 -18.8932 -33.4534 -18.893 18.5367 GPRESSAVG: 3562800 -32.2941 -14.0125 -31.1346 -10.3506 25.1457 -21.1126 -36.801 -19.1131 18.4482 TIMING: 3562800 CPU: 10602.5, 0.0029365/step Wall: 10602.5, 0.0029365/step, 1.17231 hours remaining, 208.023438 MB of memory in use. ENERGY: 3562800 755.0268 2121.3419 1918.2046 112.6797 -206488.6970 17729.2960 0.0000 0.0000 34252.8789 -149599.2691 299.1389 -183852.1479 -149503.8855 298.6159 -105.2959 -69.8675 555176.5554 3.5619 3.7666 PRESSURE: 3563000 27.7636 93.6221 134.304 93.6212 72.2122 -78.2158 134.304 -78.2157 136.567 GPRESSURE: 3563000 21.5072 42.9912 137.524 53.1549 101.368 -17.6179 174.709 -70.4999 216.991 PRESSAVG: 3563000 -49.153 -28.0153 -40.2125 -28.0154 21.2631 9.0804 -40.2125 9.08045 32.0409 GPRESSAVG: 3563000 -49.4866 -25.9788 -41.9228 -29.9381 20.3257 9.72749 -39.2369 8.62012 32.9489 TIMING: 3563000 CPU: 10603.1, 0.00292715/step Wall: 10603.1, 0.00292715/step, 1.16842 hours remaining, 208.023438 MB of memory in use. ENERGY: 3563000 743.4901 2075.1990 1937.6981 103.1847 -206661.9870 17789.3117 0.0000 0.0000 34360.6013 -149652.5020 300.0797 -184013.1034 -149554.5779 298.6706 78.8476 113.2887 554862.9047 1.3837 1.2627 PRESSURE: 3563200 34.8324 18.5866 38.531 18.586 -81.4461 -67.73 38.5299 -67.7293 83.6889 GPRESSURE: 3563200 44.8548 29.9509 100.27 -48.3983 -17.7838 -64.5131 11.1524 -31.0086 109.855 PRESSAVG: 3563200 -79.1881 63.1267 19.47 63.1266 47.8007 27.9937 19.47 27.9935 47.0532 GPRESSAVG: 3563200 -79.7221 63.8596 20.0067 61.6411 49.1739 28.5067 20.9114 28.7194 45.7984 TIMING: 3563200 CPU: 10603.7, 0.0029369/step Wall: 10603.7, 0.0029369/step, 1.17215 hours remaining, 208.023438 MB of memory in use. ENERGY: 3563200 751.4508 2055.2136 1952.9939 99.4104 -206427.6278 17806.5005 0.0000 0.0000 34060.2625 -149701.7960 297.4567 -183762.0585 -149606.3462 297.9586 12.3584 45.6421 555459.7341 5.2219 5.0834 PRESSURE: 3563400 43.1954 6.70931 -55.0367 6.71029 379.835 44.2028 -55.0367 44.2035 115.334 GPRESSURE: 3563400 83.9351 0.204185 -121.081 65.2903 456.902 35.4283 -2.46692 14.6961 98.8087 PRESSAVG: 3563400 -70.7431 1.54442 -36.6294 1.54435 58.0475 -32.9697 -36.6293 -32.9697 22.4395 GPRESSAVG: 3563400 -70.2866 1.21972 -37.4484 1.36307 57.5221 -34.2706 -36.2365 -33.57 22.1155 TIMING: 3563400 CPU: 10604.3, 0.00295691/step Wall: 10604.3, 0.00295691/step, 1.17997 hours remaining, 208.023438 MB of memory in use. ENERGY: 3563400 743.3812 2042.1921 1949.2780 106.1690 -206972.7945 18230.7007 0.0000 0.0000 34191.4110 -149709.6625 298.6021 -183901.0735 -149609.3016 298.3094 179.4546 213.2152 555618.9548 3.2480 3.1170 PRESSURE: 3563600 -18.6507 -14.391 73.3849 -14.3912 -293.158 45.1339 73.3856 45.1345 -191.841 GPRESSURE: 3563600 -23.4833 -75.5282 64.1103 43.6684 -249.598 102.192 48.1756 8.29489 -125.446 PRESSAVG: 3563600 -5.23257 -18.6208 -2.23565 -18.6209 32.2308 0.34087 -2.23584 0.340833 -15.1056 GPRESSAVG: 3563600 -4.91782 -17.8667 -0.702812 -18.096 32.6967 0.356672 -4.58469 0.275971 -15.6851 TIMING: 3563600 CPU: 10604.8, 0.00295476/step Wall: 10604.8, 0.00295476/step, 1.17895 hours remaining, 208.023438 MB of memory in use. ENERGY: 3563600 714.8349 2144.1827 1938.0647 105.2346 -206445.6340 17579.8673 0.0000 0.0000 34257.9066 -149705.5432 299.1828 -183963.4499 -149615.2272 298.7160 -167.8832 -132.8425 557236.7590 3.9642 4.0313 PRESSURE: 3563800 -147.648 -135.608 5.10131 -135.607 -152.733 -47.6853 5.10194 -47.6852 20.9889 GPRESSURE: 3563800 -152.771 -39.4481 41.515 -225.292 -123.683 -74.9896 -48.5555 -70.4586 92.5465 PRESSAVG: 3563800 -39.6576 12.2539 42.2433 12.254 14.4052 -75.5524 42.2433 -75.5525 7.97996 GPRESSAVG: 3563800 -39.5504 12.1609 40.607 12.8681 14.813 -75.0182 42.7265 -75.8683 7.47941 TIMING: 3563800 CPU: 10605.4, 0.00297471/step Wall: 10605.4, 0.00297471/step, 1.18674 hours remaining, 208.023438 MB of memory in use. ENERGY: 3563800 734.0572 2049.3544 1962.9093 118.0412 -206451.1302 17662.1677 0.0000 0.0000 34293.0786 -149631.5219 299.4900 -183924.6005 -149532.9645 298.2319 -93.1309 -61.3024 556877.0428 -5.7575 -5.7527 PRESSURE: 3564000 146.303 6.34499 -71.5837 6.34495 -283.859 28.9559 -71.5834 28.9561 -144.051 GPRESSURE: 3564000 130.87 101.234 -117.079 -7.99425 -230.485 -14.2574 -16.2362 48.944 -72.4997 PRESSAVG: 3564000 -88.9983 35.2883 -5.72043 35.2883 54.8641 -26.3008 -5.72036 -26.3007 25.0871 GPRESSAVG: 3564000 -89.5943 34.5367 -6.09146 35.0358 55.3138 -29.6877 -2.14055 -24.3501 25.2403 TIMING: 3564000 CPU: 10606, 0.00294063/step Wall: 10606, 0.00294063/step, 1.17298 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3564000 752.7263 2075.6077 1943.2296 110.3109 -205921.6224 17573.0347 0.0000 0.0000 33972.0766 -149494.6365 296.6866 -183466.7132 -149389.3410 298.8338 -93.8691 -57.3717 557627.0505 -3.0157 -3.0134 PRESSURE: 3564200 -201.489 -192.712 -126.677 -192.711 2.11871 -86.1376 -126.678 -86.1368 -82.4492 GPRESSURE: 3564200 -216.146 -117.697 -50.1846 -215.141 16.9316 -98.4501 -108.486 -78.8843 19.6023 PRESSAVG: 3564200 -11.6055 57.9824 6.83019 57.9823 59.6725 -9.65773 6.83013 -9.65782 10.3314 GPRESSAVG: 3564200 -11.4878 58.1023 6.53335 58.9353 58.2116 -6.0201 4.68927 -11.0632 11.9631 TIMING: 3564200 CPU: 10606.6, 0.00291762/step Wall: 10606.6, 0.00291762/step, 1.16364 hours remaining, 208.023438 MB of memory in use. ENERGY: 3564200 762.6440 2039.0105 1946.1974 105.9602 -206126.5731 17610.7598 0.0000 0.0000 34165.7905 -149496.2107 298.3783 -183662.0011 -149396.3539 298.4824 -93.9400 -59.8706 556918.9297 19.4662 19.5623 LDB: ============= START OF LOAD BALANCING ============== 10610.2 LDB: ============== END OF LOAD BALANCING =============== 10610.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10610.2 LDB: ============= START OF LOAD BALANCING ============== 10610.5 LDB: Largest compute 4802 load 0.024736 is 20.9% of average load 0.118306 LDB: Average compute 0.001735 is 1.5% of average load 0.118306 LDB: TIME 10610.5 LOAD: AVG 0.118306 MAX 0.19772 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.031 MB LDB: TIME 10610.5 LOAD: AVG 0.118306 MAX 0.19772 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.031 MB LDB: TIME 10610.5 LOAD: AVG 0.118306 MAX 0.19772 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.031 MB LDB: ============== END OF LOAD BALANCING =============== 10610.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10610.5 PRESSURE: 3564400 -192.242 69.1184 -29.1924 69.1182 -5.71869 97.2263 -29.1932 97.2271 -141.516 GPRESSURE: 3564400 -127.825 179.725 40.9548 0.477111 20.505 67.7642 -3.87098 88.0769 -133.914 PRESSAVG: 3564400 -36.9263 42.8904 20.3559 42.8904 -16.4433 33.2275 20.3558 33.2276 38.2826 GPRESSAVG: 3564400 -37.789 43.4386 22.8102 43.5534 -15.0328 32.0466 20.5245 32.4043 37.9382 TIMING: 3564400 CPU: 10607.2, 0.00298478/step Wall: 10607.2, 0.00298478/step, 1.19026 hours remaining, 207.566406 MB of memory in use. ENERGY: 3564400 773.4012 2025.1029 1952.6672 111.0629 -205968.7493 17549.9325 0.0000 0.0000 34133.7115 -149422.8710 298.0982 -183556.5825 -149325.2914 298.0499 -113.1589 -80.4113 558225.1466 -5.0290 -4.9612 PRESSURE: 3564600 -109.383 23.4547 -5.68274 23.4552 56.0082 -65.3966 -5.68288 -65.3973 136.524 GPRESSURE: 3564600 -71.849 23.7995 14.8757 -54.4738 108.564 -96.3475 -86.1576 -76.9606 144.298 PRESSAVG: 3564600 -55.2069 71.2366 39.5526 71.2366 68.1019 -32.135 39.5527 -32.1349 32.6476 GPRESSAVG: 3564600 -52.6686 68.6406 37.5189 71.2202 66.9891 -30.071 38.6874 -32.3796 31.7577 TIMING: 3564600 CPU: 10607.8, 0.00292257/step Wall: 10607.8, 0.00292257/step, 1.16529 hours remaining, 207.769531 MB of memory in use. ENERGY: 3564600 724.8893 2057.2514 1948.9379 122.0070 -206213.9528 17751.8832 0.0000 0.0000 34309.7777 -149299.2064 299.6358 -183608.9841 -149194.0098 298.3964 27.7163 60.3374 556640.7833 15.1809 15.3594 PRESSURE: 3564800 281.717 87.1109 70.3258 87.1114 -119.569 -49.012 70.3251 -49.0115 301.315 GPRESSURE: 3564800 263.24 128.252 90.637 158.741 -3.64044 -105.725 -1.63379 4.16995 293.855 PRESSAVG: 3564800 -52.4334 43.4626 -12.1246 43.4626 16.4601 -47.7596 -12.1246 -47.7597 66.9271 GPRESSAVG: 3564800 -53.3343 43.6691 -10.9775 42.7893 16.8082 -48.454 -13.5868 -46.0579 67.4477 TIMING: 3564800 CPU: 10608.4, 0.00292622/step Wall: 10608.4, 0.00292622/step, 1.16658 hours remaining, 207.769531 MB of memory in use. ENERGY: 3564800 728.5863 2110.1080 1940.0869 112.0891 -206417.2497 18096.5440 0.0000 0.0000 34207.8729 -149221.9625 298.7459 -183429.8354 -149121.3634 300.1983 154.4876 184.4849 557502.7609 10.3179 10.3072 PRESSURE: 3565000 27.2351 -25.5289 -89.5373 -25.5288 10.2845 138.384 -89.5361 138.385 203.047 GPRESSURE: 3565000 57.1636 -30.7308 -131.52 -83.4473 47.5726 42.1108 24.2015 164.808 227.143 PRESSAVG: 3565000 6.66992 -6.55013 3.04032 -6.55015 -29.7818 -40.5227 3.04033 -40.5228 27.4218 GPRESSAVG: 3565000 6.88465 -5.69272 3.2889 -6.71007 -30.208 -41.045 6.08172 -40.8723 27.8134 TIMING: 3565000 CPU: 10609, 0.00293976/step Wall: 10609, 0.00293976/step, 1.17182 hours remaining, 207.769531 MB of memory in use. ENERGY: 3565000 741.5191 2058.7360 1962.5840 116.6988 -206289.5684 17820.7390 0.0000 0.0000 34335.9442 -149253.3473 299.8643 -183589.2915 -149164.3251 298.3623 80.1887 110.6264 555365.6716 1.4366 1.4967 PRESSURE: 3565200 -108.019 -115.718 -129.724 -115.718 226.673 56.0111 -129.723 56.0096 162.782 GPRESSURE: 3565200 -40.2129 -53.2808 -74.0442 -159.609 206.806 160.834 -233.346 89.6797 211.394 PRESSAVG: 3565200 -51.9088 -21.7867 8.95527 -21.7867 -28.3041 -8.2987 8.95524 -8.29882 62.1107 GPRESSAVG: 3565200 -52.4042 -21.5513 9.54348 -23.1417 -27.241 -6.22985 6.87122 -9.76597 61.8403 TIMING: 3565200 CPU: 10609.6, 0.00294677/step Wall: 10609.6, 0.00294677/step, 1.17445 hours remaining, 207.769531 MB of memory in use. ENERGY: 3565200 734.0204 2045.6736 1907.9688 112.2696 -206827.8053 18141.2805 0.0000 0.0000 34340.8736 -149545.7186 299.9074 -183886.5922 -149449.5629 298.7450 93.8120 125.9960 556310.4934 -6.0340 -5.9350 PRESSURE: 3565400 -142.198 77.6592 1.11466 77.6599 13.5016 -167.071 1.11355 -167.073 176.051 GPRESSURE: 3565400 -89.4409 48.715 -32.3928 -13.2928 43.9945 -188.829 8.7471 -63.6442 191.399 PRESSAVG: 3565400 -17.0656 -26.3302 34.8418 -26.3301 -39.8983 -13.6327 34.8418 -13.6328 35.7168 GPRESSAVG: 3565400 -16.9563 -26.1119 32.5418 -26.1903 -40.1477 -16.5411 37.6073 -12.1139 35.4537 TIMING: 3565400 CPU: 10610.1, 0.00292602/step Wall: 10610.1, 0.00292602/step, 1.16602 hours remaining, 207.769531 MB of memory in use. ENERGY: 3565400 713.0844 2098.0609 1948.8222 110.7858 -206377.5923 17738.2233 0.0000 0.0000 34211.1661 -149557.4497 298.7746 -183768.6157 -149462.1319 298.7020 15.7846 48.6509 556638.3842 -7.0824 -7.2168 PRESSURE: 3565600 -236.013 -56.1225 35.2802 -56.124 -41.9587 123.631 35.2817 123.631 -133.04 GPRESSURE: 3565600 -227.037 -42.1265 33.4238 -27.8955 -10.4553 194.253 -0.9944 113.914 -70.6578 PRESSAVG: 3565600 -71.1102 4.62836 -30.1799 4.62833 -41.5946 -41.6621 -30.1799 -41.6621 57.3285 GPRESSAVG: 3565600 -70.7187 2.88404 -29.8211 6.74802 -42.4238 -40.0065 -30.5865 -41.4 57.7498 TIMING: 3565600 CPU: 10610.7, 0.00293442/step Wall: 10610.7, 0.00293442/step, 1.1692 hours remaining, 207.769531 MB of memory in use. ENERGY: 3565600 730.8530 2102.7196 1918.3979 112.5176 -206185.7522 17624.2566 0.0000 0.0000 34205.4161 -149491.5914 298.7244 -183697.0075 -149396.5385 298.6628 -137.0039 -102.7167 555776.5120 -18.4588 -18.4643 PRESSURE: 3565800 69.1034 -46.013 123.246 -46.0122 287.665 -163.387 123.246 -163.387 -87.137 GPRESSURE: 3565800 194.709 33.4575 170.916 -51.5801 230.864 -118.78 71.5532 -223.071 -72.2944 PRESSAVG: 3565800 -83.4862 17.7161 30.2051 17.7161 -10.8692 1.38768 30.205 1.38754 65.5605 GPRESSAVG: 3565800 -82.5383 19.5743 30.3684 17.0199 -11.5532 0.9049 29.2857 -1.90688 65.9488 TIMING: 3565800 CPU: 10611.3, 0.00290175/step Wall: 10611.3, 0.00290175/step, 1.15602 hours remaining, 207.769531 MB of memory in use. ENERGY: 3565800 722.0699 2087.1442 1948.1562 112.1731 -206334.0954 17854.5707 0.0000 0.0000 34281.3910 -149328.5903 299.3879 -183609.9813 -149225.0235 298.7612 89.8770 117.7594 557102.6828 -9.5983 -9.3809 PRESSURE: 3566000 -173.607 45.9349 65.1652 45.9346 16.2241 142 65.1648 142.001 -92.6228 GPRESSURE: 3566000 -100.945 -8.7918 88.0133 56.0104 17.5353 193.916 128.407 139.948 -62.3891 PRESSAVG: 3566000 -34.5954 -23.1822 14.9288 -23.1822 15.0057 25.4321 14.9289 25.4322 6.35736 GPRESSAVG: 3566000 -34.7648 -24.3434 15.5526 -24.8115 15.2317 24.5185 15.8025 27.9571 6.2575 TIMING: 3566000 CPU: 10611.9, 0.00291964/step Wall: 10611.9, 0.00291964/step, 1.16299 hours remaining, 207.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3566000 731.9446 2085.9582 1961.0544 107.1066 -205876.1887 17633.7374 0.0000 0.0000 34246.4953 -149109.8923 299.0832 -183356.3876 -149013.6186 298.9439 -83.3351 -48.5997 557488.9056 -4.4108 -4.4252 PRESSURE: 3566200 -57.3685 83.6392 17.8992 83.6384 -84.019 -20.1558 17.8982 -20.1569 8.01196 GPRESSURE: 3566200 13.0001 118.271 40.5247 135.221 -24.9631 100.696 -44.9435 -67.63 -17.521 PRESSAVG: 3566200 -49.4151 -4.63453 -26.0309 -4.63465 -0.276821 -23.1338 -26.0309 -23.1339 48.7024 GPRESSAVG: 3566200 -48.8525 -3.37981 -28.4048 -5.56168 0.610492 -23.7819 -24.2151 -22.7574 47.7061 TIMING: 3566200 CPU: 10612.5, 0.00292204/step Wall: 10612.5, 0.00292204/step, 1.16378 hours remaining, 207.769531 MB of memory in use. ENERGY: 3566200 805.3750 2047.4187 1935.6373 110.7642 -206114.4889 17816.4756 0.0000 0.0000 34205.7664 -149193.0517 298.7275 -183398.8181 -149093.4794 299.0063 -44.4585 -9.8280 557892.4553 -0.3298 -0.1786 PRESSURE: 3566400 40.0701 17.7362 -11.6374 17.7371 106.151 135.342 -11.6369 135.343 -145.142 GPRESSURE: 3566400 27.3957 119.994 8.36918 -18.3766 181.248 203.353 14.4071 103.389 -114.947 PRESSAVG: 3566400 -110.786 -10.0191 41.6531 -10.0191 96.8676 -44.7085 41.6531 -44.7085 -10.6646 GPRESSAVG: 3566400 -112.288 -10.6001 41.4889 -9.66174 98.0117 -42.6307 39.2574 -46.6847 -9.97256 TIMING: 3566400 CPU: 10613.1, 0.00294292/step Wall: 10613.1, 0.00294292/step, 1.17194 hours remaining, 207.769531 MB of memory in use. ENERGY: 3566400 752.4361 2053.3115 1935.8923 116.8433 -206154.7648 17773.9695 0.0000 0.0000 34309.7475 -149212.5644 299.6356 -183522.3119 -149119.1000 299.3862 0.3597 31.2321 558817.8915 -8.1945 -8.0829 PRESSURE: 3566600 -107.128 -24.8367 70.7487 -24.8363 -105.561 -128.478 70.7469 -128.479 -94.5557 GPRESSURE: 3566600 -31.9314 -61.8873 160.526 -43.7235 -110.979 -36.5867 61.1288 -185.993 -64.6591 PRESSAVG: 3566600 -49.5671 -30.0021 41.6315 -30.0021 6.58805 -18.7079 41.6315 -18.7078 44.1362 GPRESSAVG: 3566600 -49.2825 -29.465 43.3674 -29.1828 5.9075 -20.869 42.5195 -18.4657 44.4217 TIMING: 3566600 CPU: 10613.7, 0.00295141/step Wall: 10613.7, 0.00295141/step, 1.17515 hours remaining, 207.769531 MB of memory in use. ENERGY: 3566600 737.4826 2099.6088 1940.3048 108.4371 -205932.9076 17643.5104 0.0000 0.0000 34279.0251 -149124.5387 299.3673 -183403.5639 -149025.6436 299.5862 -102.4150 -69.1898 559342.7524 0.3857 0.3489 PRESSURE: 3566800 -251.012 18.7171 -15.2607 18.7169 -233.358 20.9899 -15.2617 20.991 -283.264 GPRESSURE: 3566800 -186.736 -9.05079 -62.0917 12.696 -236.058 32.5668 -22.0084 105.008 -234.745 PRESSAVG: 3566800 11.3231 -61.3506 27.6562 -61.3506 7.35457 2.53493 27.6563 2.535 -18.7684 GPRESSAVG: 3566800 11.3849 -60.538 27.6009 -62.6662 7.50823 4.61508 24.855 4.02267 -19.1656 TIMING: 3566800 CPU: 10614.3, 0.00295511/step Wall: 10614.3, 0.00295511/step, 1.17646 hours remaining, 207.769531 MB of memory in use. ENERGY: 3566800 764.0396 2074.6126 1970.4485 112.7056 -206265.2243 17667.9040 0.0000 0.0000 34429.5433 -149245.9708 300.6818 -183675.5141 -149144.0216 300.0627 -255.8780 -219.1797 557785.9284 -0.0302 -0.0908 PRESSURE: 3567000 -200.973 -189.428 -0.284977 -189.429 37.323 21.515 -0.285152 21.5141 12.547 GPRESSURE: 3567000 -195.201 -232.847 0.475006 -105.98 131.967 70.0961 41.6238 -43.8838 17.1582 PRESSAVG: 3567000 9.58765 -15.1728 7.9849 -15.1728 -36.8759 -20.5025 7.98491 -20.5024 -5.61604 GPRESSAVG: 3567000 9.94156 -15.3497 7.70382 -14.7875 -37.6326 -19.3482 9.22691 -23.1103 -5.16884 TIMING: 3567000 CPU: 10614.8, 0.00292966/step Wall: 10614.8, 0.00292966/step, 1.16617 hours remaining, 207.769531 MB of memory in use. ENERGY: 3567000 738.4667 2082.4531 1947.3331 110.2627 -205975.3629 17636.6857 0.0000 0.0000 34347.3620 -149112.7996 299.9641 -183460.1616 -149014.1450 299.2626 -50.3677 -15.3584 557868.4301 -10.9681 -10.9533 PRESSURE: 3567200 -77.1061 -30.0063 74.7077 -30.0055 154.777 -105.407 74.7072 -105.409 -111.46 GPRESSURE: 3567200 -47.9179 -3.96158 91.1745 -78.9978 226.003 -153.075 26.7918 -126.215 -111.084 PRESSAVG: 3567200 -30.6858 22.8717 2.26136 22.8717 -43.4198 -12.8646 2.26135 -12.8647 66.4483 GPRESSAVG: 3567200 -30.9293 21.6258 -0.0328012 24.5999 -43.1223 -17.1239 4.23043 -8.83491 66.2988 TIMING: 3567200 CPU: 10615.4, 0.00293262/step Wall: 10615.4, 0.00293261/step, 1.16718 hours remaining, 207.769531 MB of memory in use. ENERGY: 3567200 740.6073 2103.8599 1935.5092 104.8034 -206049.7815 17945.1668 0.0000 0.0000 34247.4656 -148972.3695 299.0916 -183219.8351 -148882.8698 299.2212 -11.2631 22.3336 558024.6701 -2.5525 -2.5843 PRESSURE: 3567400 -196.808 -3.79003 164.743 -3.7914 -1.64347 -64.3528 164.743 -64.3524 -42.2032 GPRESSURE: 3567400 -179.011 73.279 122.12 -26.0025 69.5495 -145.44 142.964 -31.4706 -48.5167 PRESSAVG: 3567400 -0.864457 -28.1268 -19.1256 -28.1269 73.298 -22.318 -19.1255 -22.3181 -60.3629 GPRESSAVG: 3567400 -1.97581 -30.1587 -16.8405 -26.9078 73.8814 -18.1636 -22.6109 -25.8758 -60.0477 TIMING: 3567400 CPU: 10616, 0.00294659/step Wall: 10616, 0.00294659/step, 1.17258 hours remaining, 207.769531 MB of memory in use. ENERGY: 3567400 738.9053 2060.4112 1958.5190 117.6297 -205679.3520 17669.2307 0.0000 0.0000 34095.9763 -149038.6799 297.7686 -183134.6562 -148940.1782 300.0962 -80.2181 -52.6593 556976.2290 4.0235 3.9526 PRESSURE: 3567600 12.8953 -21.007 66.1585 -21.0069 -53.7864 20.0656 66.1578 20.0643 -50.9906 GPRESSURE: 3567600 20.6143 -26.3709 55.8776 45.2344 37.0338 129.811 103.973 -52.8242 -52.186 PRESSAVG: 3567600 7.59244 -2.20576 -1.20735 -2.20584 27.348 4.70484 -1.20746 4.7049 -24.2401 GPRESSAVG: 3567600 7.9465 0.283233 -1.64499 -3.18488 27.3886 1.62408 0.760193 6.32784 -25.5624 TIMING: 3567600 CPU: 10616.6, 0.00293661/step Wall: 10616.6, 0.00293661/step, 1.16845 hours remaining, 207.769531 MB of memory in use. ENERGY: 3567600 760.0566 2066.1652 1943.2731 105.1876 -205902.5157 17647.1272 0.0000 0.0000 34286.0297 -149094.6763 299.4284 -183380.7060 -148999.6574 299.8143 -30.6272 1.8207 557025.2028 3.5668 3.2576 PRESSURE: 3567800 -165.308 1.40709 110.405 1.40761 -27.5442 45.0947 110.406 45.0947 -11.6076 GPRESSURE: 3567800 -122.999 -16.4734 72.9926 51.9375 -16.8522 68.1188 124.614 -9.38122 36.9201 PRESSAVG: 3567800 -69.2288 18.9505 0.492086 18.9506 19.1307 -12.7728 0.492101 -12.7728 16.9679 GPRESSAVG: 3567800 -70.8676 16.8879 1.23082 20.0862 19.5595 -11.2896 -0.480663 -13.3643 17.8582 TIMING: 3567800 CPU: 10617.2, 0.00296413/step Wall: 10617.2, 0.00296413/step, 1.17923 hours remaining, 207.769531 MB of memory in use. ENERGY: 3567800 736.2866 2031.9089 1967.9669 123.6272 -205961.8537 17891.9800 0.0000 0.0000 34206.1749 -149003.9091 298.7310 -183210.0841 -148904.0284 299.7718 -68.1533 -34.3102 558436.4162 -11.0434 -11.1500 PRESSURE: 3568000 165.953 250.929 -70.9991 250.928 -52.2594 -45.78 -70.9997 -45.7794 111.216 GPRESSURE: 3568000 181.631 199.42 -72.6871 231.821 33.6873 41.3927 -102.928 -87.2834 116.161 PRESSAVG: 3568000 7.94743 -17.7443 -12.9445 -17.7443 24.6197 -39.2783 -12.9445 -39.2783 3.48199 GPRESSAVG: 3568000 9.71684 -17.4531 -13.1876 -19.1783 23.8016 -40.0431 -14.1693 -39.8615 2.64797 TIMING: 3568000 CPU: 10617.8, 0.00292298/step Wall: 10617.8, 0.00292298/step, 1.1627 hours remaining, 207.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3568000 763.0346 2088.7093 1923.6127 106.8812 -206332.9143 17875.2352 0.0000 0.0000 34594.2220 -148981.2193 302.1199 -183575.4413 -148888.3640 300.2075 74.9697 110.4931 556759.6963 12.0164 12.0555 PRESSURE: 3568200 -52.4937 -32.9915 48.2248 -32.9917 254.359 -90.1524 48.2249 -90.154 -198.455 GPRESSURE: 3568200 -62.4295 37.7571 13.482 -105.991 293.185 -150.896 84.4454 -145.209 -141.788 PRESSAVG: 3568200 -4.69249 -21.591 -25.6565 -21.591 17.4335 -4.05871 -25.6566 -4.05881 -67.6201 GPRESSAVG: 3568200 -4.66053 -21.3433 -27.004 -20.8718 17.4422 -3.76652 -22.9804 -4.94868 -67.6504 TIMING: 3568200 CPU: 10618.4, 0.00296959/step Wall: 10618.4, 0.00296959/step, 1.18107 hours remaining, 207.769531 MB of memory in use. ENERGY: 3568200 722.4793 2077.4803 1931.5366 120.4092 -205963.7716 17739.8350 0.0000 0.0000 34387.3071 -148984.7242 300.3129 -183372.0313 -148887.2842 300.3051 1.1366 29.6560 557564.4182 -18.2930 -18.2896 LDB: ============= START OF LOAD BALANCING ============== 10621.9 LDB: ============== END OF LOAD BALANCING =============== 10621.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10621.9 LDB: ============= START OF LOAD BALANCING ============== 10622.2 LDB: Largest compute 4796 load 0.024782 is 20.9% of average load 0.118404 LDB: Average compute 0.001736 is 1.5% of average load 0.118404 LDB: TIME 10622.2 LOAD: AVG 0.118404 MAX 0.198703 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.055 MB LDB: TIME 10622.2 LOAD: AVG 0.118404 MAX 0.198703 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.117 MB LDB: TIME 10622.2 LOAD: AVG 0.118404 MAX 0.198703 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.117 MB LDB: ============== END OF LOAD BALANCING =============== 10622.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10622.2 PRESSURE: 3568400 102.824 -230.782 16.5736 -230.782 221.231 15.5733 16.5731 15.5721 63.4116 GPRESSURE: 3568400 109.692 -275.031 -2.65496 -197.132 256.531 32.7168 11.7569 9.73824 119.124 PRESSAVG: 3568400 35.7476 -11.2025 14.8833 -11.2025 -3.6095 -8.30052 14.8833 -8.30055 2.74744 GPRESSAVG: 3568400 34.6666 -11.6993 13.6971 -11.4965 -3.22558 -10.3543 14.4736 -7.79497 3.70727 TIMING: 3568400 CPU: 10619, 0.00300261/step Wall: 10619, 0.00300261/step, 1.19404 hours remaining, 208.085938 MB of memory in use. ENERGY: 3568400 757.0995 2142.0914 1931.3796 101.7288 -206401.2050 17870.2688 0.0000 0.0000 34572.6850 -149025.9519 301.9319 -183598.6370 -148927.9882 300.7646 129.1554 161.7821 555045.5476 11.6285 11.7161 PRESSURE: 3568600 25.314 -243.506 26.4432 -243.506 240.977 146.953 26.4431 146.954 -19.0925 GPRESSURE: 3568600 67.2796 -351.341 46.5587 -128.109 267.275 167.771 7.41779 123.658 21.0051 PRESSAVG: 3568600 -15.0717 -12.5842 -0.778761 -12.5841 70.5217 -11.109 -0.778703 -11.1089 23.496 GPRESSAVG: 3568600 -13.8777 -13.6507 2.01917 -12.3531 69.445 -8.21524 -0.424686 -11.3139 23.3159 TIMING: 3568600 CPU: 10619.6, 0.00293456/step Wall: 10619.6, 0.00293456/step, 1.16682 hours remaining, 208.085938 MB of memory in use. ENERGY: 3568600 779.5962 2100.5553 1923.6693 104.0265 -206180.9120 17843.9802 0.0000 0.0000 34546.5002 -148882.5843 301.7032 -183429.0845 -148783.9380 300.6918 82.3994 118.5197 554586.8278 26.3153 26.2944 PRESSURE: 3568800 145.44 59.517 56.2268 59.5174 -75.6962 197.266 56.2268 197.265 -8.03332 GPRESSURE: 3568800 172.865 -26.7935 106.453 64.0664 -123.108 166.837 18.8758 147.079 110.855 PRESSAVG: 3568800 -49.2375 12.1413 45.2935 12.1411 47.6395 -0.446688 45.2935 -0.446762 13.0245 GPRESSAVG: 3568800 -49.4019 13.5342 44.9772 10.2867 48.1242 -1.51563 44.2292 0.163466 13.1176 TIMING: 3568800 CPU: 10620.1, 0.00292772/step Wall: 10620.1, 0.00292772/step, 1.16393 hours remaining, 208.085938 MB of memory in use. ENERGY: 3568800 705.9273 2077.5738 1958.5236 113.7290 -205969.0919 17702.9897 0.0000 0.0000 34429.5927 -148980.7559 300.6822 -183410.3485 -148884.5371 300.3025 20.5701 53.5375 554692.1396 3.8088 3.9466 PRESSURE: 3569000 48.1044 15.4237 17.0205 15.424 89.8767 85.5717 17.0212 85.5716 50.5638 GPRESSURE: 3569000 89.1775 21.2788 -12.3349 42.3872 176.122 73.4335 13.443 83.5712 17.4178 PRESSAVG: 3569000 -58.1764 16.6986 -27.9024 16.6986 26.8302 -15.2274 -27.9025 -15.2274 19.8231 GPRESSAVG: 3569000 -58.4261 14.6773 -30.1609 19.7092 27.8673 -14.4524 -26.4838 -16.1126 19.9729 TIMING: 3569000 CPU: 10620.7, 0.0029435/step Wall: 10620.7, 0.0029435/step, 1.17004 hours remaining, 208.085938 MB of memory in use. ENERGY: 3569000 747.5354 2067.9162 1931.9316 108.1442 -206041.2494 17627.5871 0.0000 0.0000 34480.8867 -149077.2483 301.1302 -183558.1350 -148984.8898 299.6434 62.8483 94.2391 555230.2769 -3.8410 -3.5286 PRESSURE: 3569200 -42.4977 -86.5906 6.56241 -86.5911 -127.92 -56.2647 6.56235 -56.2637 190.921 GPRESSURE: 3569200 2.32724 -54.642 21.1055 -144.007 -113.035 -99.9017 45.6324 -51.8559 235.478 PRESSAVG: 3569200 -48.5217 9.853 -5.87802 9.85305 94.3549 -7.87298 -5.87798 -7.873 -7.4821 GPRESSAVG: 3569200 -48.1796 9.52403 -4.8731 10.9812 94.9489 -9.04956 -5.14617 -7.30258 -8.07332 TIMING: 3569200 CPU: 10621.3, 0.00295081/step Wall: 10621.3, 0.00295081/step, 1.17278 hours remaining, 208.085938 MB of memory in use. ENERGY: 3569200 715.4939 2105.6569 1975.1900 106.9654 -205726.1523 17498.5541 0.0000 0.0000 34288.4028 -149035.8891 299.4492 -183324.2920 -148937.0787 299.5763 6.8346 41.5902 555226.1688 12.7837 12.8987 PRESSURE: 3569400 -229.523 -0.610708 -41.2443 -0.610459 -32.1816 -98.0792 -41.2441 -98.0772 96.3797 GPRESSURE: 3569400 -191.949 -42.2906 -18.7275 102.496 32.8818 -81.8856 -68.803 -65.0332 99.5455 PRESSAVG: 3569400 33.7977 -1.74707 -21.613 -1.747 -7.73978 -6.12192 -21.613 -6.12185 -26.9404 GPRESSAVG: 3569400 35.0135 1.88548 -20.9139 -4.50466 -8.34187 -6.20273 -22.9518 -4.03207 -27.2044 TIMING: 3569400 CPU: 10621.9, 0.00295276/step Wall: 10621.9, 0.00295276/step, 1.17339 hours remaining, 208.085938 MB of memory in use. ENERGY: 3569400 704.3606 2092.0122 1935.7495 120.5814 -206020.8799 17687.9031 0.0000 0.0000 34371.5858 -149108.6872 300.1756 -183480.2730 -149013.2730 299.6062 -55.1083 -19.8407 557306.7030 -0.2942 -0.1776 PRESSURE: 3569600 -120.66 15.3478 -100.042 15.3473 -182.455 51.2908 -100.042 51.2931 -460.257 GPRESSURE: 3569600 -63.3668 87.3122 -78.0824 -36.1741 -198.371 -34.0454 -34.9317 -30.7466 -414.818 PRESSAVG: 3569600 -4.67886 82.8232 -1.04228 82.8233 -22.1331 10.1252 -1.0423 10.1253 33.2537 GPRESSAVG: 3569600 -6.14714 80.6866 -1.64161 83.7439 -22.6811 11.4173 -1.32057 5.73764 34.877 TIMING: 3569600 CPU: 10622.5, 0.0029954/step Wall: 10622.5, 0.0029954/step, 1.19017 hours remaining, 208.085938 MB of memory in use. ENERGY: 3569600 732.4528 2051.3836 1940.0944 106.3596 -205297.8768 17192.4121 0.0000 0.0000 34219.4898 -149055.6845 298.8473 -183275.1744 -148960.7727 299.1498 -254.4574 -225.5183 558501.6425 2.1473 2.0163 PRESSURE: 3569800 -208.131 -143.1 99.153 -143.1 -0.578094 -82.3428 99.1532 -82.3417 -109.741 GPRESSURE: 3569800 -170.361 -162.698 170.026 -62.5089 21.4009 -66.8012 30.6732 -96.6538 -72.43 PRESSAVG: 3569800 -5.00443 51.4036 13.9051 51.4035 20.5071 55.5697 13.905 55.5696 -18.1039 GPRESSAVG: 3569800 -4.66538 51.132 12.8548 51.9317 21.016 53.553 12.8686 57.3333 -19.2609 TIMING: 3569800 CPU: 10623.1, 0.00299115/step Wall: 10623.1, 0.00299115/step, 1.18832 hours remaining, 208.085938 MB of memory in use. ENERGY: 3569800 748.2904 2036.4438 1967.4560 106.9840 -205769.4840 17580.0502 0.0000 0.0000 34248.7102 -149081.5494 299.1025 -183330.2596 -148985.3210 299.6107 -106.1498 -73.7967 558990.3639 -0.8671 -0.9701 PRESSURE: 3570000 -112.57 -106.068 -18.1762 -106.069 -349.82 -9.78805 -18.1767 -9.78941 -292.176 GPRESSURE: 3570000 -93.6964 -56.1912 -89.3604 -67.9573 -246.041 -53.6737 -48.2455 -63.5089 -305.675 PRESSAVG: 3570000 6.63907 30.9828 -33.3558 30.9828 -18.5941 -1.99055 -33.3558 -1.99067 -8.77925 GPRESSAVG: 3570000 6.32263 31.2237 -30.5295 30.0971 -18.7118 -0.153652 -34.8724 -3.75838 -8.56331 TIMING: 3570000 CPU: 10623.7, 0.00296802/step Wall: 10623.7, 0.00296802/step, 1.17896 hours remaining, 208.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3570000 726.7718 2084.6129 1948.7766 107.7238 -205579.2173 17365.3603 0.0000 0.0000 34374.2995 -148971.6725 300.1993 -183345.9720 -148873.8971 300.0926 -251.5219 -215.1377 559042.6714 -6.9114 -6.9841 PRESSURE: 3570200 240.211 64.4619 18.3682 64.462 118.016 126.28 18.3675 126.28 -41.9607 GPRESSURE: 3570200 300.918 105.944 102.517 -9.38015 121.709 139.501 -16.3128 152.6 -22.1818 PRESSAVG: 3570200 14.3698 8.35948 -3.56383 8.35956 50.9868 -1.09223 -3.56384 -1.09229 -36.9964 GPRESSAVG: 3570200 15.5782 9.20229 -4.35215 6.54538 51.0237 -1.05416 -1.38216 0.904594 -37.8454 TIMING: 3570200 CPU: 10624.3, 0.00298431/step Wall: 10624.3, 0.00298431/step, 1.18527 hours remaining, 208.085938 MB of memory in use. ENERGY: 3570200 721.2095 2069.9150 1941.7628 123.3434 -205680.4267 17712.4708 0.0000 0.0000 34205.3470 -148906.3782 298.7238 -183111.7252 -148808.6384 300.2164 105.4222 133.4817 557440.9808 9.4534 9.5855 PRESSURE: 3570400 -139.241 63.62 -97.161 63.621 137.222 -168.636 -97.1606 -168.635 -185.853 GPRESSURE: 3570400 -91.7136 87.9565 -159.657 9.21277 152.928 -100.863 -19.764 -99.7978 -159.514 PRESSAVG: 3570400 0.353382 -12.5354 -0.967592 -12.5354 15.4031 -67.2169 -0.96762 -67.2167 -17.1684 GPRESSAVG: 3570400 0.592496 -14.1202 -2.10151 -10.8614 15.8078 -69.0102 -2.01546 -65.5175 -17.2415 TIMING: 3570400 CPU: 10624.9, 0.00295162/step Wall: 10624.9, 0.00295162/step, 1.17212 hours remaining, 208.085938 MB of memory in use. ENERGY: 3570400 721.9114 2110.2713 1961.2032 107.0159 -205705.7418 17616.3837 0.0000 0.0000 34467.0268 -148721.9295 301.0091 -183188.9563 -148631.3047 300.4018 -62.6242 -32.7666 556548.3359 -0.4706 -0.2804 PRESSURE: 3570600 21.7204 -0.69488 122.887 -0.696042 -204.834 178.067 122.887 178.067 -122.927 GPRESSURE: 3570600 26.7386 15.3365 12.4307 16.2931 -153.948 173.057 110.86 241.442 -79.1157 PRESSAVG: 3570600 110.211 15.2768 -27.8291 15.2768 -46.0481 -31.8795 -27.8291 -31.8795 -73.8775 GPRESSAVG: 3570600 109.706 16.3654 -26.5466 14.9806 -47.0991 -30.5265 -27.2803 -31.2441 -72.2858 TIMING: 3570600 CPU: 10625.5, 0.00295571/step Wall: 10625.5, 0.00295571/step, 1.17358 hours remaining, 208.085938 MB of memory in use. ENERGY: 3570600 699.7926 2047.1906 1933.7885 114.7587 -205891.9211 17674.5711 0.0000 0.0000 34549.2407 -148872.5789 301.7271 -183421.8196 -148770.7907 300.9329 -102.0137 -68.7751 559413.9650 -3.2383 -3.2262 PRESSURE: 3570800 -408.394 -21.8181 129.074 -21.8181 -248.569 33.2185 129.073 33.2189 -101.553 GPRESSURE: 3570800 -302.362 28.0248 111.248 -52.1671 -213.673 -6.55471 198.733 81.1392 -128.63 PRESSAVG: 3570800 35.0807 -42.0728 36.32 -42.0728 -2.50361 6.23511 36.32 6.23499 -27.0323 GPRESSAVG: 3570800 34.5171 -43.2921 33.2625 -41.7696 -0.702307 6.32083 37.2734 4.30604 -28.1111 TIMING: 3570800 CPU: 10626.1, 0.00294984/step Wall: 10626.1, 0.00294984/step, 1.17109 hours remaining, 208.085938 MB of memory in use. ENERGY: 3570800 740.8539 2078.9968 1926.2387 111.6848 -205631.3722 17446.4298 0.0000 0.0000 34499.4599 -148827.7083 301.2924 -183327.1682 -148727.9881 300.0784 -252.8388 -214.8883 558703.9253 1.8483 1.9012 PRESSURE: 3571000 -82.3677 -77.6363 160.369 -77.6364 79.2216 -8.65772 160.368 -8.65772 7.1324 GPRESSURE: 3571000 -11.0037 -99.1131 126.303 -63.3222 64.161 -21.5777 146.295 34.2839 47.7276 PRESSAVG: 3571000 -45.7197 1.2542 8.52069 1.25418 -4.14522 57.3297 8.52062 57.3296 33.2699 GPRESSAVG: 3571000 -45.603 1.08032 9.78628 1.18973 -5.57661 55.1387 7.1537 58.1901 34.7376 TIMING: 3571000 CPU: 10626.7, 0.00293912/step Wall: 10626.7, 0.00293912/step, 1.16667 hours remaining, 208.085938 MB of memory in use. ENERGY: 3571000 735.1166 2127.1667 1931.2225 104.6438 -205750.6232 17764.8841 0.0000 0.0000 34179.7879 -148907.8017 298.5006 -183087.5895 -148812.6339 299.6564 1.3288 33.6283 559402.4072 -5.5317 -5.4807 PRESSURE: 3571200 58.8927 -26.7286 66.2852 -26.7294 -162.891 222.716 66.2836 222.718 -366.06 GPRESSURE: 3571200 59.2623 -0.617232 82.0002 26.7964 -160.83 157.229 27.9688 228.448 -273.078 PRESSAVG: 3571200 1.98855 -23.2778 30.8198 -23.2777 -55.843 23.0513 30.8198 23.0513 8.3553 GPRESSAVG: 3571200 1.14405 -23.9211 29.5273 -24.3102 -55.4003 23.114 32.7426 22.9759 8.08763 TIMING: 3571200 CPU: 10627.2, 0.00292892/step Wall: 10627.2, 0.00292892/step, 1.16246 hours remaining, 208.085938 MB of memory in use. ENERGY: 3571200 736.3788 2076.7040 1932.2889 112.0577 -205860.7806 17564.4388 0.0000 0.0000 34377.0629 -149061.8496 300.2234 -183438.9125 -148972.2284 299.5544 -156.6860 -124.8818 559589.9723 -15.1664 -15.3896 PRESSURE: 3571400 -289.237 -6.72491 67.9843 -6.72524 -134.915 -75.4251 67.9858 -75.4254 -281.991 GPRESSURE: 3571400 -175.117 -76.058 142.911 -9.83847 -162.614 -65.6899 -21.9857 -36.3035 -263.728 PRESSAVG: 3571400 44.3078 -50.7411 -17.3523 -50.7411 -43.503 -21.7884 -17.3522 -21.7885 -9.04585 GPRESSAVG: 3571400 45.1639 -50.5414 -15.312 -49.2167 -43.7623 -21.6034 -16.6725 -22.0704 -9.80248 TIMING: 3571400 CPU: 10627.8, 0.00290386/step Wall: 10627.8, 0.00290386/step, 1.15235 hours remaining, 208.085938 MB of memory in use. ENERGY: 3571400 753.4803 2095.0781 1949.0325 114.5766 -205752.5047 17454.3921 0.0000 0.0000 34328.5231 -149057.4221 299.7995 -183385.9451 -148963.2249 299.5853 -235.3811 -200.4865 557804.9369 -2.7470 -2.8003 PRESSURE: 3571600 -127.965 -58.9131 96.2463 -58.9112 65.9271 51.3436 96.2463 51.3424 187.793 GPRESSURE: 3571600 -79.3784 -92.9488 69.2221 -17.8059 74.8863 49.372 127.547 20.6086 230.867 PRESSAVG: 3571600 18.3662 31.529 -9.97746 31.529 -9.32243 -29.7755 -9.97754 -29.7754 -11.7482 GPRESSAVG: 3571600 18.0751 33.3224 -10.7055 29.7378 -8.43388 -29.9522 -11.5447 -30.3863 -12.7723 TIMING: 3571600 CPU: 10628.4, 0.00293969/step Wall: 10628.4, 0.00293969/step, 1.1664 hours remaining, 208.085938 MB of memory in use. ENERGY: 3571600 706.4798 2105.0351 1926.0926 112.9873 -206202.3857 17820.9832 0.0000 0.0000 34615.9229 -148914.8848 302.3095 -183530.8076 -148817.3777 299.7055 41.9184 75.4584 557287.6649 -0.9015 -1.0437 PRESSURE: 3571800 155.392 50.7613 -146.69 50.7618 12.9738 -163.305 -146.69 -163.305 -19.0139 GPRESSURE: 3571800 230.157 -3.59141 -111.853 149.289 24.3542 -100.754 -158.505 -106.889 1.48676 PRESSAVG: 3571800 -64.9167 -7.26357 1.21084 -7.26351 35.5211 -7.3604 1.21079 -7.36044 -9.32044 GPRESSAVG: 3571800 -65.4246 -8.8509 1.5733 -5.35494 35.2602 -6.51875 1.94876 -7.55775 -8.8966 TIMING: 3571800 CPU: 10629, 0.0029284/step Wall: 10629, 0.0029284/step, 1.16176 hours remaining, 208.085938 MB of memory in use. ENERGY: 3571800 732.4667 2116.8377 1950.5909 115.6065 -206038.9526 17929.7280 0.0000 0.0000 34410.5667 -148783.1560 300.5160 -183193.7227 -148682.6119 300.6268 49.7839 85.3325 558271.1793 -12.9053 -13.0203 PRESSURE: 3572000 -373.885 -47.0401 32.6062 -47.0404 170.526 -25.8273 32.6076 -25.8258 -55.3596 GPRESSURE: 3572000 -376.925 -46.0628 66.1015 36.9121 256.668 1.01522 -75.0214 -48.1503 -46.2703 PRESSAVG: 3572000 -17.463 18.2145 -51.8476 18.2146 -16.9696 8.1882 -51.8475 8.18829 17.2256 GPRESSAVG: 3572000 -17.6096 18.3056 -53.661 18.819 -17.0003 7.91526 -52.367 9.67401 17.4792 TIMING: 3572000 CPU: 10629.6, 0.00294432/step Wall: 10629.6, 0.00294432/step, 1.16791 hours remaining, 208.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3572000 743.8010 2129.4284 1963.1350 105.9688 -205839.3382 17722.8323 0.0000 0.0000 34279.1037 -148895.0690 299.3679 -183174.1727 -148800.3016 300.6267 -86.2396 -55.5089 558395.8744 -5.7357 -5.7102 PRESSURE: 3572200 130.051 -49.5667 53.4538 -49.568 -227.437 -97.6345 53.4539 -97.635 -187.095 GPRESSURE: 3572200 207.368 -25.0578 188.579 -47.4516 -228.388 -131.441 8.48751 -61.8861 -157.156 PRESSAVG: 3572200 8.61961 -38.3869 4.59651 -38.3869 14.9315 42.1899 4.59647 42.1897 14.8667 GPRESSAVG: 3572200 10.0919 -37.4408 7.53749 -41.0606 13.9118 42.5304 4.00776 40.776 14.7192 TIMING: 3572200 CPU: 10630.2, 0.00294464/step Wall: 10630.2, 0.00294464/step, 1.16788 hours remaining, 208.085938 MB of memory in use. ENERGY: 3572200 747.9479 2074.0617 1921.1872 109.8913 -206147.8395 17814.9628 0.0000 0.0000 34720.6893 -148759.0995 303.2244 -183479.7888 -148659.0967 300.5474 -94.8272 -59.3917 559807.6606 12.8059 12.9076 LDB: ============= START OF LOAD BALANCING ============== 10633.7 LDB: ============== END OF LOAD BALANCING =============== 10633.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10633.7 LDB: ============= START OF LOAD BALANCING ============== 10634 LDB: Largest compute 4802 load 0.026285 is 22.2% of average load 0.118286 LDB: Average compute 0.001735 is 1.5% of average load 0.118286 LDB: TIME 10634 LOAD: AVG 0.118286 MAX 0.195366 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.57 MB LDB: TIME 10634 LOAD: AVG 0.118286 MAX 0.195366 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.57 MB LDB: TIME 10634 LOAD: AVG 0.118286 MAX 0.195366 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.57 MB LDB: ============== END OF LOAD BALANCING =============== 10634 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10634 PRESSURE: 3572400 -142.195 -61.7782 -67.0666 -61.7776 -221.083 -56.5832 -67.0659 -56.5835 21.0638 GPRESSURE: 3572400 -158.62 -49.7094 -126.477 -9.69057 -122.2 19.3559 -18.1598 -54.0528 48.146 PRESSAVG: 3572400 37.2673 -23.5795 47.4896 -23.5796 -80.4629 -2.10853 47.4896 -2.10862 -18.9905 GPRESSAVG: 3572400 37.2294 -23.6064 47.161 -23.2141 -79.6537 -2.87756 48.7746 -1.94515 -19.2433 TIMING: 3572400 CPU: 10630.8, 0.00301323/step Wall: 10630.8, 0.00301323/step, 1.19491 hours remaining, 208.535156 MB of memory in use. ENERGY: 3572400 732.1331 2141.9434 1974.7756 126.1617 -205794.6919 17695.1481 0.0000 0.0000 34335.1889 -148789.3410 299.8577 -183124.5300 -148690.2305 300.5793 -114.0714 -77.5581 559806.8186 -20.7287 -20.5558 PRESSURE: 3572600 -69.5491 -0.720993 88.5988 -0.72063 -75.9234 34.4032 88.5982 34.4027 18.2701 GPRESSURE: 3572600 -82.8771 42.2332 99.9753 -46.0251 4.00034 69.9661 113.078 24.5784 36.8952 PRESSAVG: 3572600 52.9842 -80.7456 37.208 -80.7457 -16.0768 6.52811 37.208 6.52812 -13.0431 GPRESSAVG: 3572600 51.9623 -78.0754 37.4853 -80.2024 -16.1421 7.82817 37.3858 4.08217 -12.5082 TIMING: 3572600 CPU: 10631.4, 0.00291636/step Wall: 10631.4, 0.00291636/step, 1.15634 hours remaining, 208.738281 MB of memory in use. ENERGY: 3572600 740.4799 2107.8187 1920.5568 106.6314 -205460.0003 17622.4450 0.0000 0.0000 34047.4054 -148914.6632 297.3445 -182962.0686 -148819.3792 300.1125 -42.4008 -13.9938 558009.5820 7.9547 7.7707 PRESSURE: 3572800 -3.92783 48.2212 -103.559 48.2215 46.1608 7.58678 -103.559 7.58545 -74.2475 GPRESSURE: 3572800 81.5928 82.1603 -114.25 92.0163 57.8738 -43.7153 -85.1937 70.6142 -81.5863 PRESSAVG: 3572800 25.9777 -14.7635 3.45862 -14.7635 45.886 19.4535 3.45853 19.4534 -88.378 GPRESSAVG: 3572800 27.0266 -18.7567 3.70993 -13.5825 45.0848 20.6523 1.76502 20.6266 -88.8278 TIMING: 3572800 CPU: 10631.9, 0.0029208/step Wall: 10631.9, 0.0029208/step, 1.15794 hours remaining, 208.738281 MB of memory in use. ENERGY: 3572800 747.4492 2101.3838 1943.1797 123.5938 -206154.5619 17811.2853 0.0000 0.0000 34379.4958 -149048.1743 300.2447 -183427.6702 -148961.4890 299.1319 -10.6715 19.2934 558979.5240 -5.5048 -5.5721 PRESSURE: 3573000 -152.185 84.4097 -62.2713 84.4099 -265.71 65.1421 -62.2721 65.1409 134.527 GPRESSURE: 3573000 -78.3481 133.067 -13.0457 155.707 -201.313 26.3777 -68.2734 143.269 90.4329 PRESSAVG: 3573000 -62.5234 27.2562 -18.2634 27.2562 56.924 37.3179 -18.2634 37.3179 54.2842 GPRESSAVG: 3573000 -62.9379 27.9819 -19.2248 28.4184 57.1137 37.115 -17.75 37.3476 53.9979 TIMING: 3573000 CPU: 10632.5, 0.00292452/step Wall: 10632.5, 0.00292452/step, 1.15925 hours remaining, 208.996094 MB of memory in use. ENERGY: 3573000 789.4499 2079.8580 1918.8179 109.1659 -206004.0427 17867.3544 0.0000 0.0000 34285.6991 -148953.6974 299.4255 -183239.3965 -148858.1010 300.1952 -94.4562 -63.0762 560241.9880 16.2283 16.0579 PRESSURE: 3573200 89.8077 23.1606 -16.3405 23.1606 -254.71 96.111 -16.3408 96.1121 -106.245 GPRESSURE: 3573200 132.805 -56.2846 -34.9091 160.857 -229.83 53.1034 -40.364 98.4622 -76.0503 PRESSAVG: 3573200 -12.229 56.5662 -45.7554 56.5661 -25.8855 -12.0262 -45.7554 -12.0262 42.6572 GPRESSAVG: 3573200 -13.3715 55.643 -45.7566 55.4478 -25.7434 -14.2241 -45.9885 -11.7291 42.976 TIMING: 3573200 CPU: 10633.1, 0.00292755/step Wall: 10633.1, 0.00292755/step, 1.16029 hours remaining, 208.996094 MB of memory in use. ENERGY: 3573200 718.3858 2088.0091 1921.1707 126.1386 -205686.5087 17705.5124 0.0000 0.0000 34092.0507 -149035.2415 297.7344 -183127.2922 -148938.6714 299.5683 -90.3824 -57.6917 557933.9399 1.5143 1.2870 PRESSURE: 3573400 -216.684 95.5881 -88.484 95.5875 240.712 -68.5989 -88.4824 -68.5994 -181.941 GPRESSURE: 3573400 -156.881 29.8944 -126.339 152.142 238.767 -56.485 -28.971 -94.2314 -148.755 PRESSAVG: 3573400 -13.4091 8.84508 -7.78536 8.84509 42.147 28.3937 -7.78526 28.3937 -46.2487 GPRESSAVG: 3573400 -13.8572 10.1467 -6.37711 7.14082 41.8823 28.3427 -7.83916 30.1533 -45.4526 TIMING: 3573400 CPU: 10633.7, 0.00294377/step Wall: 10633.7, 0.00294377/step, 1.16655 hours remaining, 208.996094 MB of memory in use. ENERGY: 3573400 781.7521 2112.3437 1945.8417 110.8056 -206203.9270 17844.7888 0.0000 0.0000 34357.1429 -149051.2523 300.0495 -183408.3951 -148948.7232 299.4249 -52.6376 -22.2899 557839.6925 -5.8369 -5.8092 PRESSURE: 3573600 -202.798 -161.356 -33.1415 -161.357 11.4778 16.186 -33.1416 16.1852 -15.3633 GPRESSURE: 3573600 -133.428 -123.41 -40.5399 -139.759 49.8259 42.1176 38.257 -45.5504 -17.0749 PRESSAVG: 3573600 -19.7879 17.0024 15.4945 17.0023 -7.37307 -8.18726 15.4944 -8.18739 38.8284 GPRESSAVG: 3573600 -18.7315 15.7127 14.9105 19.6248 -7.30844 -5.33514 16.7747 -11.2283 37.7848 TIMING: 3573600 CPU: 10634.3, 0.00294461/step Wall: 10634.3, 0.00294461/step, 1.16672 hours remaining, 208.996094 MB of memory in use. ENERGY: 3573600 775.1974 2048.4480 1918.9204 117.5942 -206143.9792 17909.9323 0.0000 0.0000 34441.3642 -148932.5228 300.7850 -183373.8869 -148834.7903 299.5626 -68.8944 -33.5591 557607.1865 3.8891 3.9150 PRESSURE: 3573800 -36.0654 17.4131 44.9864 17.4132 -19.2699 -55.0852 44.985 -55.087 -104.971 GPRESSURE: 3573800 75.2978 -19.9122 96.8323 28.2004 -12.8022 -40.2454 21.7603 -106.083 -106.956 PRESSAVG: 3573800 -21.4267 4.9199 -8.5973 4.91991 32.9585 -37.4247 -8.59729 -37.4247 28.5276 GPRESSAVG: 3573800 -21.7927 4.22673 -9.48933 3.38441 32.2454 -40.2419 -8.58577 -34.2049 29.6806 TIMING: 3573800 CPU: 10634.9, 0.00295435/step Wall: 10634.9, 0.00295435/step, 1.17042 hours remaining, 208.996094 MB of memory in use. ENERGY: 3573800 774.3611 2112.5009 1934.1462 125.4979 -206426.0733 17983.7594 0.0000 0.0000 34455.9812 -149039.8265 300.9127 -183495.8077 -148945.3808 300.3199 -53.4354 -14.8203 557787.9171 13.3531 13.3778 PRESSURE: 3574000 -57.5298 199.103 159.913 199.104 -304.567 41.1476 159.913 41.1484 -168.689 GPRESSURE: 3574000 -81.4379 255.126 252.717 206.985 -244.816 48.715 177.826 -29.9654 -96.5691 PRESSAVG: 3574000 18.7735 -27.8283 -1.92469 -27.8283 -25.0393 -0.110598 -1.92462 -0.110583 -16.077 GPRESSAVG: 3574000 19.0497 -27.1122 -3.62436 -28.3323 -23.5278 2.31176 -3.22943 0.944865 -17.5799 TIMING: 3574000 CPU: 10635.5, 0.00293017/step Wall: 10635.5, 0.00293017/step, 1.16067 hours remaining, 208.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3574000 789.5738 2081.8697 1940.6039 124.6828 -206016.2145 17641.0001 0.0000 0.0000 34335.6606 -149102.8236 299.8619 -183438.4842 -148998.1754 300.2662 -176.9285 -140.9410 559095.4908 -7.4476 -7.3527 PRESSURE: 3574200 14.9226 105.557 151.501 105.557 -82.8487 -55.8895 151.501 -55.8892 48.1474 GPRESSURE: 3574200 65.7527 74.7066 158.225 157.359 -76.1618 -60.3092 170.379 -15.7082 101.241 PRESSAVG: 3574200 -1.61001 18.3821 5.82016 18.382 25.2132 32.789 5.82025 32.7888 5.01926 GPRESSAVG: 3574200 -1.443 19.3832 9.00004 17.5128 24.0266 33.2796 4.91424 30.346 6.14433 TIMING: 3574200 CPU: 10636.1, 0.00293296/step Wall: 10636.1, 0.00293296/step, 1.16161 hours remaining, 208.996094 MB of memory in use. ENERGY: 3574200 749.4413 2134.4277 1943.4995 112.2882 -206304.3454 17949.3645 0.0000 0.0000 34255.9264 -149159.3978 299.1655 -183415.3242 -149059.4004 300.2834 -6.5929 30.2772 557894.6057 9.5408 9.5760 PRESSURE: 3574400 -36.3216 103.262 39.5519 103.262 -221.42 -105.53 39.551 -105.53 -160.412 GPRESSURE: 3574400 -16.7124 111.693 104.652 195.555 -146.971 -127.361 -52.2134 -110.625 -156.494 PRESSAVG: 3574400 34.8291 48.2993 -4.64731 48.2993 -28.3195 -19.7582 -4.64737 -19.7582 26.4858 GPRESSAVG: 3574400 34.77 47.8974 -5.82381 50.2877 -27.5183 -19.453 -4.71383 -19.1087 25.4753 TIMING: 3574400 CPU: 10636.6, 0.00293981/step Wall: 10636.6, 0.00293981/step, 1.16417 hours remaining, 208.996094 MB of memory in use. ENERGY: 3574400 749.4549 2030.5865 1952.3581 111.6550 -205745.5851 17605.1127 0.0000 0.0000 34188.6672 -149107.7509 298.5781 -183296.4180 -149008.6247 299.0304 -139.3845 -106.7258 558735.8982 10.9985 10.9090 PRESSURE: 3574600 -36.442 71.8251 119.337 71.8264 -281.053 -8.01685 119.335 -8.01833 75.7683 GPRESSURE: 3574600 -25.2311 102.241 146.171 -16.6745 -225.654 39.1405 173.218 26.5029 115.768 PRESSAVG: 3574600 -42.7205 47.269 4.48634 47.269 4.18161 -7.69479 4.48637 -7.69473 33.2799 GPRESSAVG: 3574600 -42.8912 46.8263 5.15393 46.824 4.45274 -11.1373 6.18618 -6.1921 33.166 TIMING: 3574600 CPU: 10637.2, 0.00293521/step Wall: 10637.2, 0.00293521/step, 1.16218 hours remaining, 208.996094 MB of memory in use. ENERGY: 3574600 778.4789 2088.0801 1945.5608 99.3746 -206074.6883 17826.8305 0.0000 0.0000 34274.6350 -149061.7285 299.3289 -183336.3635 -148970.6915 299.8783 -80.5754 -45.0390 558240.8623 -1.7530 -1.7575 PRESSURE: 3574800 -205.186 85.2639 -14.6408 85.264 -122.098 44.3851 -14.6416 44.3858 -110.59 GPRESSURE: 3574800 -174.695 3.05682 29.3252 170.135 -115.663 127.881 -4.73544 -103.759 -54.9178 PRESSAVG: 3574800 47.3221 58.6381 15.3678 58.6382 -27.8652 29.0499 15.3678 29.0499 -4.80701 GPRESSAVG: 3574800 47.2841 59.4097 14.8239 58.0197 -26.6345 27.6068 15.6744 30.2171 -5.46897 TIMING: 3574800 CPU: 10637.8, 0.00292821/step Wall: 10637.8, 0.00292821/step, 1.15925 hours remaining, 208.996094 MB of memory in use. ENERGY: 3574800 796.3946 2078.6195 1945.1215 114.7901 -206178.2326 17820.2795 0.0000 0.0000 34170.0672 -149252.9602 298.4157 -183423.0274 -149163.9489 299.5563 -145.9578 -115.0921 559394.7162 4.8833 5.0602 PRESSURE: 3575000 -82.4395 -48.5793 -79.4683 -48.5808 -39.6104 21.9932 -79.4686 21.9942 83.0728 GPRESSURE: 3575000 -32.7144 -95.6083 -161.056 -35.5394 -0.230657 72.1945 -117.702 40.866 107.575 PRESSAVG: 3575000 -65.9153 -13.1699 23.3967 -13.17 37.0412 -21.1566 23.3965 -21.1566 37.8612 GPRESSAVG: 3575000 -66.1043 -14.221 22.3125 -12.2664 35.6536 -19.0905 22.4418 -21.9166 39.7959 TIMING: 3575000 CPU: 10638.4, 0.00293794/step Wall: 10638.4, 0.00293794/step, 1.16294 hours remaining, 208.996094 MB of memory in use. ENERGY: 3575000 712.6927 2010.2461 1915.5688 104.2332 -206119.5074 17817.4667 0.0000 0.0000 34427.4792 -149131.8207 300.6637 -183559.2998 -149029.3002 298.9808 -12.9924 24.8767 557101.1572 2.9957 3.1151 PRESSURE: 3575200 -286.831 171.283 -161.436 171.283 -190.05 14.0244 -161.435 14.0243 -292.721 GPRESSURE: 3575200 -234.91 206.308 -159.737 202.759 -172.437 38.8374 -129.799 73.8983 -269.876 PRESSAVG: 3575200 15.3723 -2.17299 -18.7107 -2.17306 2.79618 6.10886 -18.7108 6.10881 -12.0148 GPRESSAVG: 3575200 15.1633 -0.39638 -17.9229 -3.54176 4.59727 7.11717 -18.984 6.474 -13.2038 TIMING: 3575200 CPU: 10639, 0.00294232/step Wall: 10639, 0.00294232/step, 1.16451 hours remaining, 208.996094 MB of memory in use. ENERGY: 3575200 710.1881 2070.9193 1934.5325 110.9501 -205616.6020 17240.2518 0.0000 0.0000 34355.3021 -149194.4582 300.0334 -183549.7603 -149101.8735 299.6114 -256.5341 -225.7410 557127.6770 2.0512 2.1856 PRESSURE: 3575400 -98.7369 48.102 60.3495 48.1006 -77.2344 36.5702 60.3504 36.57 42.3493 GPRESSURE: 3575400 -100.166 57.4515 48.8001 49.0794 -14.0646 75.6822 126.817 -25.5693 81.0454 PRESSAVG: 3575400 -40.0103 52.8174 7.16154 52.8173 40.2189 -10.8863 7.16168 -10.8864 -21.5652 GPRESSAVG: 3575400 -40.578 52.738 7.64019 51.3567 39.8207 -11.3621 9.52226 -11.9207 -21.1219 TIMING: 3575400 CPU: 10639.6, 0.00295135/step Wall: 10639.6, 0.00295135/step, 1.16792 hours remaining, 208.996094 MB of memory in use. ENERGY: 3575400 740.4084 2026.6360 1954.1123 119.8538 -206052.4292 17740.0891 0.0000 0.0000 34192.1758 -149279.1537 298.6088 -183471.3295 -149180.2443 299.3149 -44.5407 -11.0617 558383.8693 -7.1188 -7.2930 PRESSURE: 3575600 -137.545 -117.014 168.493 -117.014 -17.3069 43.7702 168.493 43.7691 -79.1981 GPRESSURE: 3575600 -120.129 -110.869 170.802 -109.599 54.0184 -2.649 127.3 85.4312 -67.8407 PRESSAVG: 3575600 -2.70078 -62.6123 35.3558 -62.6122 -3.42634 -1.7614 35.3558 -1.76131 34.6957 GPRESSAVG: 3575600 -3.55239 -62.6963 34.858 -60.7334 -3.28164 -2.50148 33.6179 -0.0502802 35.334 TIMING: 3575600 CPU: 10640.2, 0.00297139/step Wall: 10640.2, 0.00297139/step, 1.17568 hours remaining, 208.996094 MB of memory in use. ENERGY: 3575600 749.9305 2021.9574 1970.2381 113.1765 -205940.5912 17626.4033 0.0000 0.0000 34346.1644 -149112.7210 299.9536 -183458.8854 -149014.8045 299.5688 -78.0167 -44.6505 557907.2310 9.5229 9.5000 PRESSURE: 3575800 -275.844 -8.22802 94.6182 -8.22793 -98.3894 -140.633 94.6175 -140.632 -297.674 GPRESSURE: 3575800 -234.025 -51.7655 139.852 21.6585 -93.4062 -146.925 65.194 -124.127 -258.199 PRESSAVG: 3575800 56.3028 7.55817 3.53799 7.55816 53.8772 16.354 3.53796 16.354 -59.0553 GPRESSAVG: 3575800 57.5303 6.56022 4.29201 6.87861 52.9837 17.6591 3.95925 14.6813 -59.0657 TIMING: 3575800 CPU: 10640.8, 0.00295691/step Wall: 10640.8, 0.00295691/step, 1.16979 hours remaining, 208.996094 MB of memory in use. ENERGY: 3575800 746.7163 2085.1091 1953.7818 120.0310 -205713.5106 17316.1356 0.0000 0.0000 34382.5010 -149109.2359 300.2709 -183491.7369 -149009.3632 299.8132 -223.9693 -195.2100 557755.6639 17.0416 17.1494 PRESSURE: 3576000 203.358 47.8744 -94.5381 47.8738 -50.8614 26.6372 -94.5387 26.6382 -221.517 GPRESSURE: 3576000 211.362 36.9728 -88.0365 -55.4877 -21.6632 -47.0739 -81.5268 57.8096 -171.117 PRESSAVG: 3576000 36.315 21.7734 5.57736 21.7733 -51.3988 -1.32762 5.57729 -1.32753 -48.5667 GPRESSAVG: 3576000 36.5215 20.4978 4.90528 20.5816 -51.6409 -2.12319 6.08045 -0.281941 -48.2669 TIMING: 3576000 CPU: 10641.4, 0.0029284/step Wall: 10641.4, 0.0029284/step, 1.15834 hours remaining, 208.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3576000 732.2135 2104.7715 1944.0418 109.3056 -206170.9573 17806.4428 0.0000 0.0000 34205.8738 -149268.3083 298.7284 -183474.1821 -149178.6021 298.5623 -23.0066 6.1940 557650.6030 -21.2169 -21.1288 PRESSURE: 3576200 198.489 -19.5534 71.008 -19.5538 240.89 3.70858 71.0072 3.70945 190.454 GPRESSURE: 3576200 241.771 -4.66948 162.027 -68.2251 279.099 -51.132 81.6178 44.6364 211.821 PRESSAVG: 3576200 20.7557 63.2394 -36.6447 63.2394 -42.6708 11.3365 -36.6446 11.3364 21.0823 GPRESSAVG: 3576200 20.6244 63.8907 -36.8014 65.5554 -41.8605 11.5922 -38.1176 12.387 20.3247 TIMING: 3576200 CPU: 10641.9, 0.00291538/step Wall: 10641.9, 0.00291538/step, 1.15303 hours remaining, 208.996094 MB of memory in use. ENERGY: 3576200 754.3835 2062.8202 1934.3197 110.8281 -206200.5715 18048.9124 0.0000 0.0000 34178.5113 -149110.7963 298.4894 -183289.3076 -149025.0498 299.1759 209.9443 244.2304 557897.8369 -0.2776 -0.3038 LDB: ============= START OF LOAD BALANCING ============== 10645.5 LDB: ============== END OF LOAD BALANCING =============== 10645.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10645.5 LDB: ============= START OF LOAD BALANCING ============== 10645.8 LDB: Largest compute 4802 load 0.026035 is 22.0% of average load 0.118284 LDB: Average compute 0.001731 is 1.5% of average load 0.118284 LDB: TIME 10645.8 LOAD: AVG 0.118284 MAX 0.198822 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.059 MB LDB: TIME 10645.8 LOAD: AVG 0.118284 MAX 0.198822 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.062 MB LDB: TIME 10645.8 LOAD: AVG 0.118284 MAX 0.198822 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.062 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10645.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10645.8 PRESSURE: 3576400 -111.993 229.039 35.5541 229.038 -144.523 65.2858 35.5542 65.2859 -197.174 GPRESSURE: 3576400 -114.823 225.405 -18.9269 186.314 -89.2466 39.8132 113.829 40.4029 -162.563 PRESSAVG: 3576400 -7.733 19.3467 40.1804 19.3466 13.387 -9.92851 40.1804 -9.92854 4.56069 GPRESSAVG: 3576400 -7.22587 19.5788 41.9485 17.4769 12.4663 -8.55833 39.646 -9.78989 4.09469 TIMING: 3576400 CPU: 10642.5, 0.00302502/step Wall: 10642.5, 0.00302502/step, 1.19623 hours remaining, 207.253906 MB of memory in use. ENERGY: 3576400 769.1313 2034.2673 1912.3305 111.1385 -205885.3532 17714.1467 0.0000 0.0000 34146.2581 -149198.0807 298.2078 -183344.3388 -149097.1350 299.5869 -151.2302 -122.2110 558728.0442 3.4049 3.1117 PRESSURE: 3576600 -275.177 142.761 2.30757 142.761 183.032 -102.652 2.30737 -102.653 143.512 GPRESSURE: 3576600 -255.83 67.7055 51.6302 136.507 230.787 -67.484 -3.65221 -111.517 182.063 PRESSAVG: 3576600 1.08363 1.66513 -7.17889 1.66506 -26.2263 -9.77853 -7.1789 -9.77865 -3.52494 GPRESSAVG: 3576600 1.75661 2.00892 -9.0473 2.87333 -26.8356 -12.1023 -4.99697 -10.4437 -2.80836 TIMING: 3576600 CPU: 10643.1, 0.00294315/step Wall: 10643.1, 0.00294315/step, 1.16369 hours remaining, 207.253906 MB of memory in use. ENERGY: 3576600 772.7773 2098.3970 1898.9859 114.8536 -206210.0375 17832.5650 0.0000 0.0000 34327.0748 -149165.3839 299.7869 -183492.4587 -149070.5149 298.3121 17.1222 52.3396 557509.1953 -9.5559 -9.2958 PRESSURE: 3576800 -166.964 149.08 -113.643 149.079 -100.42 75.0279 -113.643 75.0279 -60.463 GPRESSURE: 3576800 -117.135 149.61 25.4242 166.185 -132.916 22.7274 -64.0171 117.865 28.124 PRESSAVG: 3576800 32.7919 -3.81591 -17.7437 -3.8159 12.956 40.1562 -17.7437 40.1562 3.58194 GPRESSAVG: 3576800 31.5226 -4.66375 -17.6195 -2.0912 13.5742 41.3265 -19.7041 40.3356 4.42433 TIMING: 3576800 CPU: 10643.7, 0.00293982/step Wall: 10643.7, 0.00293982/step, 1.16221 hours remaining, 207.253906 MB of memory in use. ENERGY: 3576800 775.6821 2086.7865 1953.3687 106.2040 -205900.8208 17596.8246 0.0000 0.0000 34275.5273 -149106.4275 299.3367 -183381.9549 -149007.0036 299.1544 -109.2822 -73.9757 557510.5395 16.4433 16.5071 PRESSURE: 3577000 -241.015 -13.9204 87.3081 -13.9207 146.023 9.68879 87.3094 9.68908 -27.8016 GPRESSURE: 3577000 -206.921 -22.5244 11.2806 21.3665 158.147 18.7724 81.5686 -82.8916 29.9303 PRESSAVG: 3577000 -0.497683 64.4862 -29.5743 64.4863 1.58483 62.062 -29.5743 62.062 -29.1035 GPRESSAVG: 3577000 0.173856 65.3609 -29.2012 62.9288 2.87244 59.6817 -28.5631 63.5709 -30.8125 TIMING: 3577000 CPU: 10644.3, 0.00293335/step Wall: 10644.3, 0.00293335/step, 1.15949 hours remaining, 207.253906 MB of memory in use. ENERGY: 3577000 767.7258 2121.8396 1920.9143 106.4539 -205832.3015 17714.0791 0.0000 0.0000 34163.9136 -149037.3753 298.3620 -183201.2889 -148941.2614 299.3296 -40.9312 -6.2814 558944.7856 -9.3388 -9.2554 PRESSURE: 3577200 -65.3359 32.5573 -112.659 32.5568 -235.534 181.145 -112.658 181.145 237.073 GPRESSURE: 3577200 -19.1455 13.788 -44.0464 46.0964 -188.509 283.208 -174.344 140.878 245.666 PRESSAVG: 3577200 -100.473 51.8456 -18.344 51.8457 14.3788 29.8976 -18.344 29.8976 63.9464 GPRESSAVG: 3577200 -100.042 51.5641 -19.0163 50.7839 13.8652 33.0197 -20.28 28.3598 63.7416 TIMING: 3577200 CPU: 10644.9, 0.00292138/step Wall: 10644.9, 0.00292138/step, 1.15459 hours remaining, 207.253906 MB of memory in use. ENERGY: 3577200 717.2737 2076.3409 1951.8468 124.2719 -206085.8303 17846.0821 0.0000 0.0000 34218.6092 -149151.4058 298.8396 -183370.0150 -149050.5863 299.1499 -21.2657 12.6708 558405.8814 -7.3825 -7.4782 PRESSURE: 3577400 -407.076 78.4566 66.1926 78.4575 -125.036 -102.03 66.1915 -102.029 -120.614 GPRESSURE: 3577400 -391.221 158.009 81.5967 -30.3031 -85.975 -14.8219 64.1633 -128.946 -71.4132 PRESSAVG: 3577400 -39.1074 42.8549 24.0961 42.8549 37.821 12.2873 24.0962 12.2872 18.7271 GPRESSAVG: 3577400 -40.1647 42.5948 24.5576 43.2224 38.3214 11.8584 26.3702 11.2704 19.05 TIMING: 3577400 CPU: 10645.5, 0.0029252/step Wall: 10645.5, 0.0029252/step, 1.15594 hours remaining, 207.253906 MB of memory in use. ENERGY: 3577400 771.5610 2093.3910 1955.0775 103.4947 -205711.4323 17383.5345 0.0000 0.0000 34196.1960 -149208.1775 298.6439 -183404.3735 -149112.2894 299.2054 -217.5752 -182.8696 556333.6175 5.8136 5.7356 PRESSURE: 3577600 56.2004 4.91146 31.979 4.91143 -93.745 -29.0287 31.9789 -29.029 -170.444 GPRESSURE: 3577600 60.0026 -8.81701 -46.5153 -32.1799 -57.2236 36.9874 32.4267 -65.9978 -117.906 PRESSAVG: 3577600 -57.6795 42.2282 3.28482 42.2282 -38.5948 -28.6282 3.28494 -28.6282 98.0022 GPRESSAVG: 3577600 -57.3915 45.2182 5.21774 42.7358 -39.36 -28.7729 1.31703 -28.5329 98.545 TIMING: 3577600 CPU: 10646.1, 0.00294527/step Wall: 10646.1, 0.00294527/step, 1.16371 hours remaining, 207.253906 MB of memory in use. ENERGY: 3577600 737.8883 2051.3461 1924.8854 113.3135 -206108.9868 17681.8552 0.0000 0.0000 34320.2874 -149279.4109 299.7276 -183599.6983 -149188.6476 299.3515 -69.3297 -38.3758 556496.4851 0.5759 0.5978 PRESSURE: 3577800 55.6521 89.0441 -12.9735 89.0428 -3.97933 -50.6819 -12.9731 -50.681 180.935 GPRESSURE: 3577800 97.3846 34.5627 39.7334 149.323 28.4056 -57.0169 -72.2342 -76.2875 204.931 PRESSAVG: 3577800 -52.6532 31.6747 -16.7147 31.6747 -9.10659 -21.7826 -16.7147 -21.7827 26.1431 GPRESSAVG: 3577800 -51.2449 28.8378 -17.8588 32.0398 -9.67917 -22.5942 -15.4686 -22.1565 25.9134 TIMING: 3577800 CPU: 10646.7, 0.0029556/step Wall: 10646.7, 0.0029556/step, 1.16763 hours remaining, 207.253906 MB of memory in use. ENERGY: 3577800 754.3594 2088.6561 1964.2827 106.4635 -206044.2555 17764.7184 0.0000 0.0000 34435.4229 -148930.3524 300.7331 -183365.7754 -148827.6392 299.1774 77.5358 110.2405 557541.9758 -11.8722 -11.6702 PRESSURE: 3578000 97.0527 41.0386 2.20047 41.0373 275.071 -107.709 2.19893 -107.709 55.4819 GPRESSURE: 3578000 132.188 59.7376 -69.627 64.5329 325.468 -60.0495 0.605116 -153.19 74.0625 PRESSAVG: 3578000 -39.3357 13.9813 85.6158 13.9814 32.3843 -20.4998 85.6158 -20.4998 27.4503 GPRESSAVG: 3578000 -40.2778 15.5124 86.6798 14.1419 32.9268 -21.9318 83.5863 -18.5813 27.8283 TIMING: 3578000 CPU: 10647.2, 0.00295384/step Wall: 10647.2, 0.00295384/step, 1.16677 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3578000 711.0276 2115.5999 1926.4516 109.1641 -206236.2317 17915.3193 0.0000 0.0000 34373.8857 -149084.7835 300.1957 -183458.6692 -148978.3820 300.1652 142.5351 177.2395 556682.0641 6.8330 6.8258 PRESSURE: 3578200 -142.991 135.619 -64.7414 135.62 203.58 31.0242 -64.7412 31.023 -207.604 GPRESSURE: 3578200 -144.913 140.777 -121.438 11.9457 231.268 -41.996 -56.8453 36.8411 -141.179 PRESSAVG: 3578200 -41.7221 -43.6289 54.6917 -43.629 -21.7226 -6.46579 54.6917 -6.46583 72.0398 GPRESSAVG: 3578200 -41.9464 -42.019 54.1194 -45.4558 -21.9919 -2.81218 57.2802 -8.92491 72.3552 TIMING: 3578200 CPU: 10647.8, 0.00296222/step Wall: 10647.8, 0.00296222/step, 1.16991 hours remaining, 207.253906 MB of memory in use. ENERGY: 3578200 728.5674 2159.4067 1928.1178 115.6703 -205838.0230 17677.3205 0.0000 0.0000 34040.3530 -149188.5873 297.2829 -183228.9403 -149086.6713 299.7388 -49.0052 -18.2746 558762.8321 2.8650 2.8056 PRESSURE: 3578400 275.092 52.2555 -152.142 52.2555 -35.3857 60.3869 -152.143 60.3872 153.749 GPRESSURE: 3578400 233.89 33.5714 -82.0431 46.6467 23.139 113.63 -181.208 62.26 234.669 PRESSAVG: 3578400 -56.4372 -26.5952 -51.6797 -26.5953 12.0686 -10.723 -51.6797 -10.7231 61.8626 GPRESSAVG: 3578400 -57.0373 -27.9099 -52.0954 -25.4851 13.1821 -13.0483 -52.9738 -8.50739 61.6195 TIMING: 3578400 CPU: 10648.4, 0.00294075/step Wall: 10648.4, 0.00294075/step, 1.16127 hours remaining, 207.253906 MB of memory in use. ENERGY: 3578400 741.3046 2087.0325 1939.8369 105.8477 -206674.0183 18136.7614 0.0000 0.0000 34319.8410 -149343.3942 299.7237 -183663.2352 -149243.5515 299.1392 131.1517 163.8991 557982.4050 5.8313 5.9214 PRESSURE: 3578600 -12.5899 6.38308 -98.0931 6.38263 -100.831 -47.315 -98.093 -47.3154 62.9567 GPRESSURE: 3578600 -10.0368 -43.2529 -178.244 -45.2114 -7.51798 -12.5086 51.7095 -109.378 70.7498 PRESSAVG: 3578600 -6.35428 13.5724 33.2645 13.5725 -50.8666 -26.8729 33.2645 -26.873 68.5875 GPRESSAVG: 3578600 -6.51501 12.6667 31.9237 14.7076 -51.1487 -26.9245 34.7291 -28.8939 69.1941 TIMING: 3578600 CPU: 10649, 0.002926/step Wall: 10649, 0.002926/step, 1.15528 hours remaining, 207.253906 MB of memory in use. ENERGY: 3578600 741.5427 2101.5595 1923.5523 109.5973 -206269.1601 17958.8287 0.0000 0.0000 34043.0773 -149391.0023 297.3067 -183434.0796 -149288.9266 299.0937 -16.8213 17.7316 559189.2520 3.7889 3.8435 PRESSURE: 3578800 -186.619 -69.6596 -124.574 -69.6605 55.4087 -4.65356 -124.573 -4.65413 -157.128 GPRESSURE: 3578800 -141.089 -39.4851 -134.185 -23.1767 97.7901 28.3837 -116.999 -21.0849 -134.363 PRESSAVG: 3578800 30.2009 31.5905 -82.3432 31.5905 -31.0814 -25.7003 -82.3432 -25.7002 22.3177 GPRESSAVG: 3578800 30.2979 30.7209 -81.5527 31.4833 -30.6397 -24.333 -81.5798 -26.7909 21.8546 TIMING: 3578800 CPU: 10649.6, 0.00293331/step Wall: 10649.6, 0.00293331/step, 1.158 hours remaining, 207.253906 MB of memory in use. ENERGY: 3578800 741.0401 2128.3002 1936.3108 111.6312 -206180.5338 17656.7781 0.0000 0.0000 34158.1252 -149448.3483 298.3114 -183606.4734 -149353.5400 298.1123 -96.1128 -59.2205 557610.1740 7.1457 7.1709 PRESSURE: 3579000 -367.257 -112.574 -120.99 -112.575 -165.455 -53.2527 -120.99 -53.2524 -48.3606 GPRESSURE: 3579000 -268.275 -225.353 -100.304 -16.7427 -183.098 -50.0999 -63.1647 -33.0152 -30.8636 PRESSAVG: 3579000 23.0077 33.2733 -37.1319 33.2734 -2.90936 -25.4628 -37.1319 -25.4629 -6.88702 GPRESSAVG: 3579000 24.4323 32.9325 -37.1518 33.9026 -4.27699 -26.5263 -38.4639 -25.1976 -6.69958 TIMING: 3579000 CPU: 10650.2, 0.00296752/step Wall: 10650.2, 0.00296753/step, 1.17135 hours remaining, 207.253906 MB of memory in use. ENERGY: 3579000 734.6581 2134.2343 1903.6083 103.0379 -206280.2212 17708.1719 0.0000 0.0000 34162.5358 -149533.9749 298.3499 -183696.5107 -149440.7733 298.3287 -193.6911 -160.7455 557614.0742 4.4038 4.4852 PRESSURE: 3579200 -200.786 -0.878948 154.874 -0.878543 24.7277 -11.4097 154.873 -11.409 -199.973 GPRESSURE: 3579200 -223.688 37.2611 158.073 -86.6015 112.853 110.721 162.165 -118.797 -170.622 PRESSAVG: 3579200 5.78874 70.807 17.3922 70.8069 62.0014 44.675 17.3922 44.675 -34.0981 GPRESSAVG: 3579200 4.54501 70.85 16.6442 67.808 64.3669 43.3387 18.0575 46.1281 -35.4058 TIMING: 3579200 CPU: 10650.8, 0.00292816/step Wall: 10650.8, 0.00292816/step, 1.15565 hours remaining, 207.253906 MB of memory in use. ENERGY: 3579200 720.4572 2072.3555 1917.5831 108.7923 -206272.9088 17654.0129 0.0000 0.0000 34247.0412 -149552.6666 299.0879 -183799.7078 -149459.0139 298.4795 -125.3438 -93.8187 556700.3973 11.2307 11.1687 PRESSURE: 3579400 43.4875 18.0425 36.6963 18.0433 339.069 -198.123 36.6963 -198.125 -139.807 GPRESSURE: 3579400 108.813 3.97748 -34.1052 17.4477 315.658 -155.935 50.0005 -193.553 -70.8162 PRESSAVG: 3579400 35.7104 -1.72835 -37.5294 -1.72845 69.143 -21.395 -37.5294 -21.3952 -59.1933 GPRESSAVG: 3579400 36.3593 -0.699643 -38.1046 2.17158 67.2895 -21.7653 -36.8167 -21.8826 -58.3275 TIMING: 3579400 CPU: 10651.4, 0.00294589/step Wall: 10651.4, 0.00294589/step, 1.16248 hours remaining, 207.253906 MB of memory in use. ENERGY: 3579400 761.2325 2167.3516 1951.3282 110.0337 -207022.1607 18062.0738 0.0000 0.0000 34294.3714 -149675.7695 299.5013 -183970.1409 -149586.7587 298.4867 80.9163 117.8848 555271.6629 15.2200 15.1071 PRESSURE: 3579600 -465.621 -15.1902 6.09379 -15.1911 -324.317 -198.725 6.09447 -198.724 -341.04 GPRESSURE: 3579600 -449.115 -8.96277 -32.491 -49.2173 -242.353 -246.878 33.2851 -233.245 -351.624 PRESSAVG: 3579600 15.2825 35.4268 -14.2927 35.4268 33.0653 -50.538 -14.2927 -50.5378 -57.1796 GPRESSAVG: 3579600 14.9084 35.5838 -12.2143 33.3484 33.784 -47.2259 -16.6296 -50.3778 -56.9362 TIMING: 3579600 CPU: 10652, 0.00295704/step Wall: 10652, 0.00295704/step, 1.16672 hours remaining, 207.253906 MB of memory in use. ENERGY: 3579600 760.7853 2121.6236 1922.8506 130.6462 -206468.5708 17572.3155 0.0000 0.0000 34262.5175 -149697.8321 299.2231 -183960.3496 -149595.2013 297.7200 -376.9925 -347.6975 557519.1623 -2.9439 -2.7479 PRESSURE: 3579800 248.757 -72.5188 4.79733 -72.5194 -37.7569 98.2003 4.79734 98.2013 -84.6097 GPRESSURE: 3579800 274.405 -49.8961 -12.1642 -104.538 8.25374 37.425 52.1994 54.1027 -60.1038 PRESSAVG: 3579800 28.6634 4.39224 -13.7328 4.39218 54.9589 -33.637 -13.7328 -33.6369 -36.0013 GPRESSAVG: 3579800 28.6767 4.08131 -14.8039 4.20973 53.8715 -34.8666 -12.4256 -34.9627 -35.2018 TIMING: 3579800 CPU: 10652.5, 0.00293217/step Wall: 10652.5, 0.00293217/step, 1.15674 hours remaining, 207.253906 MB of memory in use. ENERGY: 3579800 738.0538 2136.0312 1937.0084 117.3415 -206735.6047 17942.8679 0.0000 0.0000 34351.8909 -149512.4111 300.0036 -183864.3019 -149413.6455 298.2037 42.1302 74.1850 557197.2553 15.8736 15.7822 PRESSURE: 3580000 34.7397 91.8898 134.542 91.8894 15.2084 -33.1188 134.543 -33.1182 59.6941 GPRESSURE: 3580000 65.6331 68.7421 77.1345 84.3532 25.915 -24.3317 98.6466 6.88514 108.543 PRESSAVG: 3580000 26.8149 24.7244 10.2033 24.7244 -32.0189 6.11978 10.2033 6.11982 -6.46232 GPRESSAVG: 3580000 28.5058 24.2871 8.78383 26.7218 -31.0249 5.52435 11.5935 7.65311 -9.0712 TIMING: 3580000 CPU: 10653.1, 0.00293394/step Wall: 10653.1, 0.00293394/step, 1.15727 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3580000 788.8343 2142.7555 1955.7897 116.1961 -206655.4747 17941.2017 0.0000 0.0000 34231.1779 -149479.5195 298.9494 -183710.6974 -149386.3527 298.4751 36.5474 66.6969 557835.8686 -3.8888 -3.8634 PRESSURE: 3580200 91.9657 141.22 74.0263 141.22 -300.05 34.1403 74.0255 34.1425 177.98 GPRESSURE: 3580200 131.908 62.1445 96.4075 223.106 -260.257 64.453 72.2361 11.9802 202.353 PRESSAVG: 3580200 35.2822 40.4983 13.4795 40.4983 -48.7686 64.2048 13.4794 64.2049 4.67966 GPRESSAVG: 3580200 33.9561 41.4298 15.9101 38.748 -48.564 64.3827 11.6572 64.0963 6.24648 TIMING: 3580200 CPU: 10653.7, 0.00293156/step Wall: 10653.7, 0.00293156/step, 1.15617 hours remaining, 207.253906 MB of memory in use. ENERGY: 3580200 724.4045 2143.3878 1943.8356 119.2898 -206397.8348 17869.9462 0.0000 0.0000 34040.5778 -149556.3931 297.2848 -183596.9710 -149461.7531 298.7827 -10.0346 24.6678 557748.1341 -2.9356 -2.7871 LDB: ============= START OF LOAD BALANCING ============== 10657.3 LDB: ============== END OF LOAD BALANCING =============== 10657.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10657.3 LDB: ============= START OF LOAD BALANCING ============== 10657.6 LDB: Largest compute 4802 load 0.025447 is 21.5% of average load 0.118337 LDB: Average compute 0.001742 is 1.5% of average load 0.118337 LDB: TIME 10657.6 LOAD: AVG 0.118337 MAX 0.198864 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.957 MB LDB: TIME 10657.6 LOAD: AVG 0.118337 MAX 0.198864 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.957 MB LDB: TIME 10657.6 LOAD: AVG 0.118337 MAX 0.198864 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.957 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10657.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10657.6 PRESSURE: 3580400 201.297 121.186 93.3014 121.186 173.581 54.3476 93.3012 54.3471 24.8054 GPRESSURE: 3580400 147.848 56.6741 97.5215 217.508 245.76 140.105 78.1581 12.1521 106.48 PRESSAVG: 3580400 28.6288 36.6208 51.8222 36.6208 -6.93478 77.683 51.8222 77.6831 -66.9858 GPRESSAVG: 3580400 28.3521 36.038 50.9548 37.6296 -7.14624 76.7538 52.7826 78.4469 -66.834 TIMING: 3580400 CPU: 10654.3, 0.00299524/step Wall: 10654.3, 0.00299524/step, 1.18112 hours remaining, 208.535156 MB of memory in use. ENERGY: 3580400 758.8326 2083.2883 1946.4780 118.4472 -206618.2723 17992.2128 0.0000 0.0000 34198.9081 -149520.1052 298.6676 -183719.0134 -149433.9335 298.4912 133.2278 166.6963 556124.7412 -15.0972 -15.2094 PRESSURE: 3580600 -32.2814 -74.6301 -19.1661 -74.6308 -192.401 59.501 -19.1662 59.5018 82.428 GPRESSURE: 3580600 -39.2857 -93.7635 -1.74734 -1.22031 -123.19 85.9051 -22.0488 50.0329 115.417 PRESSAVG: 3580600 -58.7781 -10.953 -44.0971 -10.953 41.5518 49.6132 -44.0971 49.6133 13.0226 GPRESSAVG: 3580600 -58.3351 -11.8825 -43.4396 -10.724 41.2348 50.4183 -44.5043 50.1719 13.2529 TIMING: 3580600 CPU: 10654.9, 0.00294099/step Wall: 10654.9, 0.00294099/step, 1.15957 hours remaining, 208.535156 MB of memory in use. ENERGY: 3580600 728.5768 2127.0527 1925.3401 117.4759 -206225.0056 17787.0504 0.0000 0.0000 34051.9327 -149487.5771 297.3840 -183539.5098 -149385.2874 298.3911 -47.4183 -15.6863 555270.4688 -1.4012 -1.2825 PRESSURE: 3580800 -80.0174 -185.372 -124.628 -185.373 -266.969 61.2462 -124.629 61.2456 -201.894 GPRESSURE: 3580800 -36.1582 -198.183 -153.462 -179.919 -231.379 -37.7036 -124.553 142.377 -189.396 PRESSAVG: 3580800 -1.87159 2.97495 -23.7096 2.97491 -3.00012 81.506 -23.7097 81.5059 9.30564 GPRESSAVG: 3580800 -1.97337 3.48276 -24.3711 2.58224 -3.40084 82.0089 -23.5292 80.0998 10.1244 TIMING: 3580800 CPU: 10655.5, 0.00296971/step Wall: 10655.5, 0.00296971/step, 1.17073 hours remaining, 208.535156 MB of memory in use. ENERGY: 3580800 770.1126 2127.9284 1933.5492 118.2273 -206362.1357 17738.9478 0.0000 0.0000 34258.3241 -149415.0463 299.1865 -183673.3704 -149318.6628 298.8645 -182.9600 -152.3113 557653.0389 1.4780 1.5834 PRESSURE: 3581000 0.855308 17.7803 236.81 17.7796 -214.261 -117.43 236.809 -117.43 -286.099 GPRESSURE: 3581000 -49.3939 32.627 183.805 58.599 -198.293 -128.183 359.35 -208.792 -153.848 PRESSAVG: 3581000 31.1996 11.6113 -45.069 11.6113 -59.7781 4.73214 -45.069 4.73201 76.6282 GPRESSAVG: 3581000 30.1773 10.5679 -44.2739 10.7013 -58.8202 4.2353 -45.9948 5.39961 76.6826 TIMING: 3581000 CPU: 10656.1, 0.00294251/step Wall: 10656.1, 0.00294251/step, 1.15984 hours remaining, 208.535156 MB of memory in use. ENERGY: 3581000 784.0290 2110.3288 1919.7924 119.4626 -206133.1450 17629.9948 0.0000 0.0000 34279.0343 -149290.5030 299.3673 -183569.5373 -149189.4645 299.4839 -166.5016 -133.8451 557440.9889 16.0166 16.0132 PRESSURE: 3581200 -124.962 34.1153 186.161 34.1149 60.1503 117.065 186.161 117.065 147.034 GPRESSURE: 3581200 -87.9876 12.8571 193.686 -36.5882 101.28 21.9244 221.509 103.776 164.56 PRESSAVG: 3581200 -11.6842 23.7366 -34.899 23.7366 -39.4172 -17.111 -34.899 -17.1109 53.3445 GPRESSAVG: 3581200 -9.33018 26.2199 -36.1956 23.489 -40.6616 -14.2285 -33.4753 -18.6208 51.9647 TIMING: 3581200 CPU: 10656.7, 0.002946/step Wall: 10656.7, 0.002946/step, 1.16105 hours remaining, 208.535156 MB of memory in use. ENERGY: 3581200 742.6293 2053.4712 1950.9029 111.1614 -205965.2035 17679.6762 0.0000 0.0000 34124.9380 -149302.4246 298.0216 -183427.3626 -149204.3762 298.9731 27.4072 59.2841 556046.7688 0.7477 0.6576 PRESSURE: 3581400 139.493 -29.6638 49.8205 -29.6633 -0.420166 33.4843 49.8215 33.4851 -75.6778 GPRESSURE: 3581400 173.224 -20.8894 21.5471 -96.6265 38.906 35.6059 -39.2262 -13.3194 -39.3489 PRESSAVG: 3581400 -47.8275 7.18766 -0.213874 7.18765 43.4739 49.5643 -0.21395 49.5642 18.0657 GPRESSAVG: 3581400 -48.764 8.41924 -1.47718 5.85105 44.159 48.7002 -1.76333 48.6968 17.9166 TIMING: 3581400 CPU: 10657.3, 0.00297664/step Wall: 10657.3, 0.00297664/step, 1.17296 hours remaining, 208.535156 MB of memory in use. ENERGY: 3581400 773.1128 2011.7576 1939.5624 112.3947 -206439.1587 17872.0076 0.0000 0.0000 34247.5565 -149482.7672 299.0924 -183730.3237 -149385.1061 299.0043 21.1317 57.5938 555675.5567 4.5707 4.4372 PRESSURE: 3581600 -66.6232 -117.214 139.393 -117.214 44.2792 -44.4272 139.393 -44.4242 -0.36666 GPRESSURE: 3581600 -45.8125 -48.5148 48.5839 -132.156 79.4907 -80.1502 192.929 -8.6423 45.4221 PRESSAVG: 3581600 -4.59393 18.4345 27.4479 18.4345 12.4017 68.3306 27.4478 68.3305 25.3941 GPRESSAVG: 3581600 -5.36025 17.8208 29.7462 19.8004 11.6917 67.2259 27.3752 69.0291 27.0841 TIMING: 3581600 CPU: 10657.9, 0.00295349/step Wall: 10657.9, 0.00295349/step, 1.16368 hours remaining, 208.535156 MB of memory in use. ENERGY: 3581600 763.7513 2103.3834 1925.0946 127.3217 -206413.1847 17781.0787 0.0000 0.0000 34386.0806 -149326.4744 300.3022 -183712.5550 -149234.6983 299.4690 -7.5702 26.3668 556046.4725 11.0673 11.1385 PRESSURE: 3581800 -235.894 -19.0381 -196.576 -19.0385 -51.0368 15.5949 -196.577 15.5957 -342.801 GPRESSURE: 3581800 -192.347 -25.8941 -153.414 -34.5762 -52.0075 -11.4344 -143.348 27.0268 -284.177 PRESSAVG: 3581800 -43.3059 30.9922 0.508343 30.9922 61.9414 -29.6486 0.508315 -29.6487 -31.2321 GPRESSAVG: 3581800 -41.7561 27.2609 0.947521 32.6959 62.2182 -28.9124 2.09465 -27.7887 -32.803 TIMING: 3581800 CPU: 10658.5, 0.00294876/step Wall: 10658.5, 0.00294875/step, 1.16165 hours remaining, 208.535156 MB of memory in use. ENERGY: 3581800 782.2125 2073.9534 1923.5467 118.3182 -205978.1634 17536.3260 0.0000 0.0000 34238.7213 -149305.0852 299.0153 -183543.8065 -149202.4379 299.1061 -209.9107 -176.1771 557315.2648 -4.1989 -4.1136 PRESSURE: 3582000 110.367 -10.9101 -44.546 -10.9102 -35.7868 48.1797 -44.5453 48.181 -139.49 GPRESSURE: 3582000 146.132 -17.9155 -40.8247 5.91244 14.0351 3.7791 -7.77991 138.459 -135.143 PRESSAVG: 3582000 -77.0362 4.91456 6.49391 4.9146 43.3526 -2.27199 6.49393 -2.27198 32.6414 GPRESSAVG: 3582000 -78.2533 6.57392 5.65586 3.77034 43.0275 -2.46684 6.41168 -4.17507 33.6995 TIMING: 3582000 CPU: 10659.1, 0.00297997/step Wall: 10659.1, 0.00297997/step, 1.17378 hours remaining, 208.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3582000 750.9169 2066.3801 1931.8233 128.3573 -206132.9265 17791.3956 0.0000 0.0000 34235.3495 -149228.7039 298.9858 -183464.0533 -149133.8594 299.2261 -21.6365 8.3412 558276.6124 -0.3474 -0.5088 PRESSURE: 3582200 -114.514 -22.1355 73.2376 -22.1348 -82.6745 19.4757 73.238 19.4755 -225.53 GPRESSURE: 3582200 -92.7141 12.0145 19.9378 -68.5992 -20.7565 -15.7486 83.248 35.1766 -206.281 PRESSAVG: 3582200 -6.30269 11.2976 19.4166 11.2977 10.1827 35.3995 19.4167 35.3995 -29.4938 GPRESSAVG: 3582200 -5.19985 11.7466 18.2644 10.0158 9.74342 34.6926 20.1186 38.0682 -30.4978 TIMING: 3582200 CPU: 10659.6, 0.0029624/step Wall: 10659.6, 0.0029624/step, 1.16669 hours remaining, 208.535156 MB of memory in use. ENERGY: 3582200 745.7607 2094.8928 1919.1741 113.1512 -206123.2981 17668.7333 0.0000 0.0000 34377.5136 -149204.0725 300.2274 -183581.5861 -149104.1041 299.0005 -140.9062 -106.5837 557625.3713 -8.5380 -8.6514 PRESSURE: 3582400 13.209 -363.025 48.6241 -363.024 185.824 -182.626 48.6241 -182.626 -171.466 GPRESSURE: 3582400 7.423 -371.892 -38.8033 -398.731 219.518 -160.591 68.1775 -167.316 -109.936 PRESSAVG: 3582400 29.5282 9.02012 40.3155 9.02008 14.2678 -27.292 40.3155 -27.292 -30.3219 GPRESSAVG: 3582400 29.2703 10.0418 41.9548 9.26297 14.0307 -25.1948 38.9904 -29.5181 -29.6988 TIMING: 3582400 CPU: 10660.2, 0.00292822/step Wall: 10660.2, 0.00292822/step, 1.15307 hours remaining, 208.535156 MB of memory in use. ENERGY: 3582400 745.5994 2082.6740 1946.5364 119.0844 -206390.1117 17906.7390 0.0000 0.0000 34209.9528 -149379.5258 298.7640 -183589.4785 -149285.8013 299.4317 9.1888 39.0017 557478.1232 4.4914 4.5340 PRESSURE: 3582600 -84.8225 -5.98904 -143.902 -5.98912 192.995 -74.8535 -143.902 -74.8541 -84.5516 GPRESSURE: 3582600 -84.8059 -20.7016 -93.2667 0.131446 257.691 40.1367 -108.999 -176.883 -41.2577 PRESSAVG: 3582600 -31.5356 -1.45905 64.6173 -1.45908 52.5613 -16.9884 64.6174 -16.9884 9.40404 GPRESSAVG: 3582600 -31.7602 -2.61515 65.5872 -0.889982 52.5844 -16.9157 62.3215 -15.8339 9.60432 TIMING: 3582600 CPU: 10660.8, 0.00293477/step Wall: 10660.8, 0.00293478/step, 1.15549 hours remaining, 208.535156 MB of memory in use. ENERGY: 3582600 759.9094 2141.0118 1904.2870 115.5605 -206363.5127 17839.2369 0.0000 0.0000 34307.9486 -149295.5585 299.6198 -183603.5071 -149206.6086 299.6976 7.8736 43.8758 556969.8957 10.1432 10.1428 PRESSURE: 3582800 132.995 186.537 -12.4689 186.537 -34.9036 -62.2117 -12.4683 -62.2123 -136.119 GPRESSURE: 3582800 123.07 263.202 -51.1761 100.767 46.8021 -25.0503 -12.964 -3.33273 -119.842 PRESSAVG: 3582800 16.1922 20.4375 18.0579 20.4375 20.8508 21.0187 18.0579 21.0186 -20.7146 GPRESSAVG: 3582800 16.1966 20.3897 16.6887 18.7982 21.2013 21.5223 21.6295 19.5505 -21.371 TIMING: 3582800 CPU: 10661.4, 0.00294645/step Wall: 10661.4, 0.00294645/step, 1.15992 hours remaining, 208.535156 MB of memory in use. ENERGY: 3582800 740.8655 2111.5896 1934.3388 104.4781 -206421.7799 17984.0241 0.0000 0.0000 34266.9344 -149279.5494 299.2617 -183546.4838 -149184.9373 298.9645 -12.6759 16.6767 557427.0976 5.4428 5.3423 PRESSURE: 3583000 -218.606 -5.35307 84.6193 -5.35158 138.882 184.167 84.6199 184.168 -47.3785 GPRESSURE: 3583000 -236.103 11.4643 82.6174 0.199758 227.307 188.274 97.2565 134.398 -15.9456 PRESSAVG: 3583000 -33.0874 26.2273 54.8639 26.2273 39.8804 7.794 54.864 7.79399 -44.3272 GPRESSAVG: 3583000 -32.5638 27.5652 55.6953 28.4102 39.3837 6.59409 52.7877 8.71132 -43.8319 TIMING: 3583000 CPU: 10662, 0.00293902/step Wall: 10662, 0.00293902/step, 1.15683 hours remaining, 208.535156 MB of memory in use. ENERGY: 3583000 774.7333 2079.0790 1934.8996 112.8376 -206582.5267 17966.6806 0.0000 0.0000 34376.7581 -149337.5385 300.2208 -183714.2967 -149243.7371 299.4649 -42.3674 -8.2473 556390.1227 -12.5114 -12.3374 PRESSURE: 3583200 68.3239 9.88453 8.70655 9.88514 -181.631 -178.848 8.70672 -178.85 -120.204 GPRESSURE: 3583200 107.848 16.0907 35.4064 -76.1789 -175.72 -119.889 -13.2633 -189.645 -53.5658 PRESSAVG: 3583200 65.694 10.8892 2.35208 10.8891 13.0739 16.3745 2.35205 16.3745 -17.8803 GPRESSAVG: 3583200 66.5888 10.5331 1.1577 8.41464 12.8817 16.4302 2.50922 15.9878 -18.7263 TIMING: 3583200 CPU: 10662.6, 0.0029314/step Wall: 10662.6, 0.0029314/step, 1.15367 hours remaining, 208.535156 MB of memory in use. ENERGY: 3583200 750.7337 2071.7940 1950.2422 114.3103 -206096.5588 17678.6692 0.0000 0.0000 34228.6046 -149302.2047 298.9269 -183530.8093 -149205.5723 298.9195 -77.8370 -40.4795 557392.7966 20.2959 20.2481 PRESSURE: 3583400 -30.9748 -7.57814 -55.3827 -7.57784 -235.054 10.9666 -55.3824 10.9657 -53.6663 GPRESSURE: 3583400 4.924 -49.402 -74.09 3.71703 -152.722 80.4831 -123.148 -68.6606 -63.004 PRESSAVG: 3583400 73.0223 8.46238 0.707853 8.46244 -22.7464 -3.88197 0.707945 -3.88214 -77.2925 GPRESSAVG: 3583400 71.5294 9.37365 1.1668 7.90004 -21.5316 -2.70576 0.477881 -4.06458 -77.9006 TIMING: 3583400 CPU: 10663.2, 0.00293291/step Wall: 10663.2, 0.00293291/step, 1.1541 hours remaining, 208.535156 MB of memory in use. ENERGY: 3583400 767.4974 2103.1631 1945.2623 113.9545 -206102.0421 17774.6454 0.0000 0.0000 34192.3295 -149205.1898 298.6101 -183397.5194 -149101.0040 299.6852 -106.5649 -70.2675 556708.3068 -9.0055 -9.3009 PRESSURE: 3583600 16.1539 95.9694 -46.1046 95.9685 -130.706 85.2736 -46.1038 85.2733 -183.026 GPRESSURE: 3583600 76.7216 36.5153 -21.7573 114.714 -79.487 72.8255 -66.6738 67.0161 -190.727 PRESSAVG: 3583600 28.305 -1.38254 12.7994 -1.38253 8.05824 -5.36654 12.7994 -5.36651 -37.9505 GPRESSAVG: 3583600 28.5354 -0.696793 13.5784 -1.80147 6.72312 -7.31255 12.5954 -6.4931 -37.2567 TIMING: 3583600 CPU: 10663.8, 0.00293532/step Wall: 10663.8, 0.00293532/step, 1.15488 hours remaining, 208.535156 MB of memory in use. ENERGY: 3583600 777.3354 2111.8267 1917.2600 101.8855 -206345.8134 17792.2934 0.0000 0.0000 34342.8648 -149302.3476 299.9248 -183645.2124 -149199.1524 299.5077 -99.1927 -64.4973 557170.3694 -0.5291 -0.6660 PRESSURE: 3583800 -61.2194 -145.718 68.8733 -145.718 -8.91026 237.907 68.8729 237.906 -101.66 GPRESSURE: 3583800 22.7448 -134.59 126.839 -102.676 -28.9878 232.738 27.172 210.277 -72.3685 PRESSAVG: 3583800 -17.1419 -6.92674 -40.6644 -6.92666 -8.8306 71.0476 -40.6646 71.0476 26.7068 GPRESSAVG: 3583800 -18.133 -8.03302 -40.448 -5.02775 -8.87849 69.531 -39.6663 74.3167 27.2531 TIMING: 3583800 CPU: 10664.3, 0.00295961/step Wall: 10664.3, 0.00295961/step, 1.16428 hours remaining, 208.535156 MB of memory in use. ENERGY: 3583800 724.6927 2110.5907 1971.3867 117.2964 -206137.8324 17696.2102 0.0000 0.0000 34314.3861 -149203.2698 299.6761 -183517.6558 -149101.8691 299.9237 -57.2631 -26.2038 557422.4159 0.2448 0.0805 PRESSURE: 3584000 8.84531 26.6318 5.16323 26.6319 -217.952 -158.463 5.16364 -158.463 47.439 GPRESSURE: 3584000 49.7572 48.771 55.3164 23.3474 -183.268 -196.363 -0.259695 -196.925 65.2764 PRESSAVG: 3584000 -35.6807 -35.4952 -15.587 -35.4952 -30.148 26.3813 -15.5871 26.3813 13.6353 GPRESSAVG: 3584000 -34.9538 -34.7432 -15.2454 -34.8911 -29.6608 27.4716 -16.8491 24.6721 12.2159 TIMING: 3584000 CPU: 10664.9, 0.00293101/step Wall: 10664.9, 0.00293101/step, 1.15287 hours remaining, 208.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3584000 717.8023 2055.4987 1944.2113 105.6809 -206011.0125 17742.0113 0.0000 0.0000 34197.8765 -149247.9315 298.6586 -183445.8080 -149152.4378 298.6845 -53.8891 -22.7447 559015.8387 -17.3978 -17.4662 PRESSURE: 3584200 135.914 14.0594 -83.2742 14.0603 205.827 60.3119 -83.2733 60.3113 -86.45 GPRESSURE: 3584200 131.736 57.2355 -34.9533 -11.3937 206.842 89.5541 -85.6038 -21.7451 9.32988 PRESSAVG: 3584200 27.3341 -30.4923 1.61803 -30.4924 -7.52549 -21.031 1.61824 -21.0311 0.109457 GPRESSAVG: 3584200 27.6978 -31.7925 0.480996 -30.955 -7.89249 -22.2427 2.14424 -21.7904 0.215163 TIMING: 3584200 CPU: 10665.5, 0.00294518/step Wall: 10665.5, 0.00294518/step, 1.15827 hours remaining, 208.535156 MB of memory in use. ENERGY: 3584200 736.5655 2139.9708 1941.4265 111.8008 -206591.5582 18103.6824 0.0000 0.0000 34297.9204 -149260.1917 299.5323 -183558.1121 -149159.2040 299.2382 85.0968 115.9694 558511.2710 6.6394 6.6735 LDB: ============= START OF LOAD BALANCING ============== 10669.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10669.1 LDB: =============== DONE WITH MIGRATION ================ 10669.1 LDB: ============= START OF LOAD BALANCING ============== 10669.4 LDB: Largest compute 4802 load 0.026344 is 22.3% of average load 0.118287 LDB: Average compute 0.001734 is 1.5% of average load 0.118287 LDB: TIME 10669.4 LOAD: AVG 0.118287 MAX 0.194735 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.148 MB LDB: TIME 10669.4 LOAD: AVG 0.118287 MAX 0.194735 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.148 MB LDB: TIME 10669.4 LOAD: AVG 0.118287 MAX 0.194735 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.148 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10669.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10669.4 PRESSURE: 3584400 -321.539 76.7056 69.9331 76.7065 -376.704 139.572 69.9321 139.573 -168.839 GPRESSURE: 3584400 -264.095 95.3603 74.6865 28.0389 -326.563 108.533 89.3815 124.524 -175.193 PRESSAVG: 3584400 -40.0401 37.4738 -17.8834 37.4739 50.3433 11.7818 -17.8834 11.7818 20.6328 GPRESSAVG: 3584400 -40.3143 37.0083 -16.5064 38.8679 50.9401 14.3816 -17.8009 10.7547 20.2188 TIMING: 3584400 CPU: 10666.1, 0.00297756/step Wall: 10666.1, 0.00297756/step, 1.17084 hours remaining, 207.054688 MB of memory in use. ENERGY: 3584400 751.3948 2093.3231 1936.1356 117.0576 -205989.1781 17622.5552 0.0000 0.0000 34104.6559 -149364.0559 297.8444 -183468.7118 -149264.7402 299.1900 -289.0276 -255.2836 558852.3877 10.3120 10.2815 PRESSURE: 3584600 86.3148 39.2803 -80.5972 39.2808 94.5446 -5.61413 -80.5972 -5.61349 -78.5862 GPRESSURE: 3584600 159.873 5.80644 -73.9762 93.5782 107.603 -37.7157 -60.9476 0.600402 -67.9279 PRESSAVG: 3584600 -37.9539 7.6268 5.03759 7.62685 48.8337 11.8855 5.03758 11.8855 36.647 GPRESSAVG: 3584600 -38.5841 8.23724 3.86552 6.8151 48.7811 11.3408 5.07787 14.0503 37.2768 TIMING: 3584600 CPU: 10666.7, 0.00292248/step Wall: 10666.7, 0.00292248/step, 1.14902 hours remaining, 207.253906 MB of memory in use. ENERGY: 3584600 748.5198 2118.0941 1932.0226 116.8195 -206167.6316 17791.3518 0.0000 0.0000 34346.4548 -149114.3690 299.9561 -183460.8238 -149016.3989 298.8055 34.0911 66.5161 556628.1519 15.8423 15.8246 PRESSURE: 3584800 39.5854 -160.389 -107.538 -160.391 -68.8382 34.9799 -107.538 34.9795 -172.438 GPRESSURE: 3584800 55.1572 -89.0051 -124.742 -153.923 4.70016 14.0971 -90.261 68.3021 -150.979 PRESSAVG: 3584800 35.2681 -23.999 12.2151 -23.9989 -2.71285 -26.4501 12.2151 -26.45 -77.5114 GPRESSAVG: 3584800 34.9008 -23.5218 14.0995 -25.8253 -2.83765 -27.8657 13.0508 -25.0277 -77.5508 TIMING: 3584800 CPU: 10667.3, 0.00293603/step Wall: 10667.3, 0.00293603/step, 1.15419 hours remaining, 207.253906 MB of memory in use. ENERGY: 3584800 768.1829 2080.7017 1939.7719 117.6518 -206429.5631 17996.2121 0.0000 0.0000 34383.1412 -149143.9016 300.2765 -183527.0427 -149042.6781 299.5635 -67.2302 -30.3740 559672.9196 -14.9854 -15.1625 PRESSURE: 3585000 325.269 13.1296 55.0359 13.1303 58.0526 -207.994 55.0355 -207.995 -167.577 GPRESSURE: 3585000 315.734 26.3208 33.1054 -121.741 71.2291 -198.117 23.7832 -268.936 -73.1425 PRESSAVG: 3585000 16.0857 27.9462 14.5597 27.9462 -26.5543 12.9297 14.5597 12.9297 -36.3969 GPRESSAVG: 3585000 14.7654 26.4046 13.2436 28.04 -26.0047 14.5756 14.5668 10.4335 -35.4763 TIMING: 3585000 CPU: 10667.9, 0.00291794/step Wall: 10667.9, 0.00291794/step, 1.14691 hours remaining, 207.253906 MB of memory in use. ENERGY: 3585000 742.0548 2159.6430 1930.1616 109.7908 -206304.3384 17970.6728 0.0000 0.0000 34226.8753 -149165.1402 298.9118 -183392.0155 -149064.3136 300.5198 71.9148 104.6068 557709.8961 -15.6219 -15.5719 PRESSURE: 3585200 -178.083 -218.412 -92.769 -218.413 -143.527 -149.947 -92.769 -149.946 156.227 GPRESSURE: 3585200 -164.331 -165.774 -76.1923 -303.135 -107.681 -208.577 -81.698 -67.1394 212.92 PRESSAVG: 3585200 -36.9891 -23.8586 14.6316 -23.8585 30.518 -6.30056 14.6317 -6.30056 -28.9028 GPRESSAVG: 3585200 -35.0531 -23.8913 15.131 -23.0921 30.6054 -7.31231 12.7787 -4.31936 -29.9876 TIMING: 3585200 CPU: 10668.5, 0.00295042/step Wall: 10668.5, 0.00295042/step, 1.15952 hours remaining, 207.253906 MB of memory in use. ENERGY: 3585200 755.6428 2063.9724 1945.2844 111.4661 -206349.2337 17876.3507 0.0000 0.0000 34279.8752 -149316.6420 299.3747 -183596.5172 -149212.3068 299.4242 -55.1278 -19.6973 557729.9257 -11.7913 -11.4784 PRESSURE: 3585400 -235.106 9.84497 -9.01536 9.84343 -16.1014 151.427 -9.01626 151.427 -20.7879 GPRESSURE: 3585400 -168.095 109.348 -23.856 -65.6259 8.96106 177.48 -15.1507 144.145 -7.18 PRESSAVG: 3585400 -80.7147 -76.3764 -40.5753 -76.3764 -13.7419 -49.8002 -40.5752 -49.8003 52.083 GPRESSAVG: 3585400 -81.0627 -73.2962 -41.2278 -77.2481 -13.7153 -50.2355 -40.2811 -50.896 52.3638 TIMING: 3585400 CPU: 10669, 0.00291778/step Wall: 10669, 0.00291778/step, 1.14653 hours remaining, 207.253906 MB of memory in use. ENERGY: 3585400 756.8189 2131.8624 1931.9613 121.6968 -206164.6868 17801.1310 0.0000 0.0000 34167.1098 -149254.1066 298.3899 -183421.2164 -149163.4106 298.5876 -90.6652 -55.4381 557535.2322 -14.1245 -14.1380 PRESSURE: 3585600 81.8288 25.9149 -80.6942 25.916 33.3481 -6.33227 -80.6929 -6.33226 -120.397 GPRESSURE: 3585600 131.333 27.9597 -84.6291 104.049 68.6396 -41.7936 -21.3171 57.6492 -102.021 PRESSAVG: 3585600 -31.1525 9.22794 -14.4556 9.22798 52.1763 24.2629 -14.4556 24.2628 -11.7146 GPRESSAVG: 3585600 -31.4795 8.14985 -15.761 8.77452 53.3815 23.6463 -12.5326 26.426 -12.7104 TIMING: 3585600 CPU: 10669.6, 0.00294052/step Wall: 10669.6, 0.00294052/step, 1.1553 hours remaining, 207.253906 MB of memory in use. ENERGY: 3585600 732.2057 2090.6786 1941.2088 105.6927 -206367.1625 17861.8546 0.0000 0.0000 34400.5759 -149234.9462 300.4288 -183635.5221 -149137.5695 299.2962 -1.7401 32.6504 557029.8117 3.1031 3.0639 PRESSURE: 3585800 93.5341 -11.8749 122.733 -11.8735 30.87 93.1452 122.733 93.1451 -237.935 GPRESSURE: 3585800 97.1337 45.2945 169.645 -2.95264 56.5659 153.611 88.8473 121.063 -169.298 PRESSAVG: 3585800 -35.5399 -24.2664 15.363 -24.2662 27.6643 -10.5759 15.3629 -10.5759 4.67705 GPRESSAVG: 3585800 -36.1889 -25.8341 14.6835 -22.2083 27.7898 -8.89185 15.0518 -12.0256 5.56445 TIMING: 3585800 CPU: 10670.2, 0.00294916/step Wall: 10670.2, 0.00294916/step, 1.15853 hours remaining, 207.253906 MB of memory in use. ENERGY: 3585800 723.5607 2050.9578 1947.4861 110.5742 -206431.8410 17987.8294 0.0000 0.0000 34409.1005 -149202.3322 300.5032 -183611.4327 -149101.4561 299.8172 -37.8435 -5.1996 557980.0738 -1.0662 -0.9449 PRESSURE: 3586000 -93.9091 -163.192 -26.219 -163.192 238.896 -90.3622 -26.2196 -90.3626 -171.273 GPRESSURE: 3586000 -66.3466 -108.637 -81.1586 -178.666 228.378 -41.481 -38.4316 -62.0701 -105.02 PRESSAVG: 3586000 24.4236 -43.9802 7.17807 -43.9802 0.619796 42.872 7.17803 42.872 -35.7057 GPRESSAVG: 3586000 24.063 -45.2219 8.04221 -41.9503 0.700004 40.1386 6.9814 43.6795 -34.903 TIMING: 3586000 CPU: 10670.8, 0.00297014/step Wall: 10670.8, 0.00297014/step, 1.16661 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3586000 733.0548 2058.2823 1943.7783 114.9957 -206381.6772 17863.8171 0.0000 0.0000 34441.3074 -149226.4416 300.7845 -183667.7491 -149125.9989 299.2745 -8.7623 19.0037 558161.5509 -3.5541 -3.3800 PRESSURE: 3586200 11.5454 -165.825 75.9179 -165.826 -116.912 -226.909 75.9165 -226.909 37.197 GPRESSURE: 3586200 -16.9553 -197.846 40.3422 -121.717 3.33582 -215.518 120.015 -217.726 44.2879 PRESSAVG: 3586200 -25.2929 -21.1158 -40.1134 -21.1158 10.2667 3.49312 -40.1133 3.49309 38.4465 GPRESSAVG: 3586200 -23.7998 -19.045 -38.8049 -22.3144 10.2527 4.69359 -40.3923 2.47832 36.3586 TIMING: 3586200 CPU: 10671.4, 0.0029392/step Wall: 10671.4, 0.0029392/step, 1.15429 hours remaining, 207.253906 MB of memory in use. ENERGY: 3586200 805.3814 2103.4014 1922.1626 97.2099 -206162.1109 17888.3415 0.0000 0.0000 34167.8946 -149177.7195 298.3967 -183345.6141 -149090.1888 299.5385 -22.7232 10.2228 558688.9784 7.8067 7.6038 PRESSURE: 3586400 -60.9158 121.424 90.623 121.423 -115.005 204.657 90.6225 204.658 -103.414 GPRESSURE: 3586400 -22.6201 138.524 -4.153 120.219 -93.9351 179.971 142.057 254.588 -58.2816 PRESSAVG: 3586400 -50.5296 36.1352 -4.97493 36.1351 19.6179 19.8079 -4.975 19.8078 50.3142 GPRESSAVG: 3586400 -50.2282 37.0264 -7.65851 33.5958 18.9738 17.8906 -6.06142 20.2069 51.0157 TIMING: 3586400 CPU: 10672, 0.00296765/step Wall: 10672, 0.00296765/step, 1.1653 hours remaining, 207.253906 MB of memory in use. ENERGY: 3586400 743.1456 2080.5507 1945.6381 107.8911 -206174.0805 17734.7143 0.0000 0.0000 34201.3014 -149360.8392 298.6885 -183562.1406 -149257.5756 299.2691 -93.1118 -58.2789 559542.7891 6.4675 6.5871 PRESSURE: 3586600 -172.247 -124.169 189.924 -124.169 -232.72 -68.9258 189.925 -68.9257 272.873 GPRESSURE: 3586600 -197.214 -213.071 190.912 -142.794 -103.285 -129.291 180.727 -91.1814 275.541 PRESSAVG: 3586600 12.4661 11.6282 10.8451 11.6282 -19.6846 10.5707 10.8451 10.5709 6.17394 GPRESSAVG: 3586600 11.5924 12.1955 12.763 14.0275 -17.2281 12.9923 10.0216 8.89175 5.14643 TIMING: 3586600 CPU: 10672.6, 0.0029365/step Wall: 10672.6, 0.0029365/step, 1.1529 hours remaining, 207.253906 MB of memory in use. ENERGY: 3586600 737.8499 2064.8971 1950.3837 108.5768 -206336.6981 17748.8566 0.0000 0.0000 34171.0233 -149555.1105 298.4240 -183726.1338 -149454.9582 298.9266 -44.0313 -8.3193 557872.7378 -0.3482 -0.1631 PRESSURE: 3586800 -7.19748 -39.9754 -14.5609 -39.9768 -29.6873 -135.833 -14.5611 -135.833 -103.208 GPRESSURE: 3586800 -13.3413 -66.059 49.0982 8.853 -3.04111 -238.772 -46.4673 -74.3373 -43.1898 PRESSAVG: 3586800 -41.1088 2.13023 25.7527 2.13029 -34.666 -31.8741 25.7528 -31.8741 59.491 GPRESSAVG: 3586800 -40.2738 -0.517703 25.9551 2.0402 -36.8559 -33.2727 28.1522 -29.9275 60.7568 TIMING: 3586800 CPU: 10673.2, 0.00294968/step Wall: 10673.2, 0.00294968/step, 1.15791 hours remaining, 207.253906 MB of memory in use. ENERGY: 3586800 777.8899 2126.9500 1910.4711 114.5963 -206742.9654 18104.7332 0.0000 0.0000 34126.8921 -149581.4328 298.0386 -183708.3249 -149488.9182 298.1300 -46.6977 -19.8574 558993.3268 -5.4279 -5.4576 PRESSURE: 3587000 32.7575 -121.19 -162.626 -121.19 109.113 -13.237 -162.626 -13.2347 -38.7835 GPRESSURE: 3587000 43.5079 -107.909 -141.262 -102.161 170.952 -60.2953 -219.107 -26.4568 -22.7261 PRESSAVG: 3587000 -9.49637 -29.1385 11.5303 -29.1384 -39.2945 -45.6229 11.5304 -45.6229 69.4162 GPRESSAVG: 3587000 -10.1896 -28.8361 11.5172 -29.3922 -38.5514 -43.9035 8.69127 -48.109 69.2441 TIMING: 3587000 CPU: 10673.8, 0.00295716/step Wall: 10673.8, 0.00295716/step, 1.16069 hours remaining, 207.253906 MB of memory in use. ENERGY: 3587000 735.9297 2101.6189 1928.0140 120.9473 -206777.0999 18063.2826 0.0000 0.0000 34322.5650 -149504.7424 299.7475 -183827.3074 -149412.5122 299.0937 34.3622 63.9111 558933.1135 6.8751 6.8344 PRESSURE: 3587200 -118.093 80.0399 7.4093 80.0397 -147.384 38.7477 7.40784 38.7485 -52.4751 GPRESSURE: 3587200 -47.5911 79.8145 9.48827 38.9798 -78.2133 33.8676 56.1243 24.8161 -90.9949 PRESSAVG: 3587200 -13.5107 -6.92761 2.59108 -6.92762 -81.5857 -10.6269 2.59107 -10.6269 81.9587 GPRESSAVG: 3587200 -11.5978 -6.18641 2.4257 -7.39622 -82.3531 -12.7959 4.69416 -11.9084 81.5525 TIMING: 3587200 CPU: 10674.4, 0.0029805/step Wall: 10674.4, 0.0029805/step, 1.16968 hours remaining, 207.253906 MB of memory in use. ENERGY: 3587200 716.9967 2107.5876 1939.4813 100.2997 -206219.0097 17618.0294 0.0000 0.0000 34305.0675 -149431.5475 299.5947 -183736.6150 -149335.6223 298.4930 -105.9840 -72.2665 557945.4918 -4.3792 -4.1328 PRESSURE: 3587400 -93.4065 65.3609 -65.3422 65.3615 -17.3802 6.78591 -65.3418 6.7858 -108.282 GPRESSURE: 3587400 -76.5109 -5.48338 -44.0881 151.236 17.9683 22.9806 -67.7429 -14.5166 -67.7697 PRESSAVG: 3587400 -14.4591 -20.1961 4.53872 -20.1961 -32.3833 -8.31263 4.53854 -8.31266 58.5513 GPRESSAVG: 3587400 -15.9051 -19.3046 2.98567 -19.9307 -30.8165 -7.10516 2.27208 -4.77435 58.7396 TIMING: 3587400 CPU: 10675, 0.00295617/step Wall: 10675, 0.00295617/step, 1.15997 hours remaining, 207.253906 MB of memory in use. ENERGY: 3587400 737.3951 2112.2804 1897.2649 109.9369 -206691.3989 17950.5366 0.0000 0.0000 34490.1684 -149393.8166 301.2112 -183883.9850 -149287.3167 299.7214 -73.0230 -42.1041 557964.6297 3.9030 4.0060 PRESSURE: 3587600 -231.245 104.997 -3.41624 104.996 -138.113 -96.9804 -3.41546 -96.9808 -26.55 GPRESSURE: 3587600 -181.525 -21.5125 21.7815 175.826 -34.3507 -40.9551 -35.9048 -91.7077 -72.3715 PRESSAVG: 3587600 -5.9952 5.72445 -0.118865 5.72445 -37.6429 -22.8552 -0.118922 -22.8553 50.6785 GPRESSAVG: 3587600 -5.59847 4.46108 -0.311588 7.57331 -38.0076 -22.0709 3.30843 -25.7106 50.9892 TIMING: 3587600 CPU: 10675.5, 0.00293871/step Wall: 10675.5, 0.00293871/step, 1.15295 hours remaining, 207.253906 MB of memory in use. ENERGY: 3587600 796.5379 2066.9840 1938.6001 117.8941 -206359.3530 17742.3320 0.0000 0.0000 34285.4617 -149411.5432 299.4235 -183697.0049 -149310.2688 299.3327 -131.9692 -96.0824 557553.7009 2.3468 2.4610 PRESSURE: 3587800 -8.98884 18.1231 80.3224 18.1222 -286.14 148.792 80.3222 148.793 -365.13 GPRESSURE: 3587800 69.4399 0.440949 49.1009 25.8679 -296.291 84.815 97.9738 133.616 -342.491 PRESSAVG: 3587800 -1.80759 51.8111 -27.6405 51.8111 -46.08 -36.9522 -27.6405 -36.9522 72.6517 GPRESSAVG: 3587800 -1.34908 52.5556 -25.5047 48.9683 -46.0274 -38.0852 -29.5259 -35.3188 72.2086 TIMING: 3587800 CPU: 10676.1, 0.0029521/step Wall: 10676.1, 0.0029521/step, 1.15804 hours remaining, 207.253906 MB of memory in use. ENERGY: 3587800 781.9918 2068.6729 1959.9975 120.3091 -205987.9454 17538.6698 0.0000 0.0000 34330.4489 -149187.8553 299.8163 -183518.3042 -149086.1642 298.8414 -220.0860 -189.7806 559302.0495 8.2547 8.2774 PRESSURE: 3588000 353.246 -59.4437 -8.82593 -59.4443 3.57767 45.9479 -8.82539 45.9502 89.958 GPRESSURE: 3588000 367.528 -41.8572 -12.828 -29.0297 34.8701 137.777 -82.5788 -56.1756 144.47 PRESSAVG: 3588000 -38.4394 -48.3553 8.3402 -48.3554 -5.90779 44.5801 8.34032 44.5801 12.92 GPRESSAVG: 3588000 -38.8488 -47.4563 5.46999 -46.5073 -6.13999 44.9548 8.57341 45.0454 13.861 TIMING: 3588000 CPU: 10676.7, 0.00294563/step Wall: 10676.7, 0.00294563/step, 1.15534 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3588000 738.0893 2017.9623 1968.2567 107.9505 -206441.3387 18158.3452 0.0000 0.0000 34080.5267 -149370.2080 297.6337 -183450.7347 -149270.8333 298.7083 148.9271 182.2895 558309.3364 -10.4757 -10.3760 PRESSURE: 3588200 266.558 109.823 -34.7993 109.823 -118.274 54.0491 -34.799 54.0484 -35.9347 GPRESSURE: 3588200 288.636 81.2445 -49.8959 52.4363 -25.2837 36.6115 -74.2382 73.3566 -40.8969 PRESSAVG: 3588200 16.7331 13.057 -1.22409 13.057 -46.2089 53.4368 -1.22417 53.4368 52.5599 GPRESSAVG: 3588200 17.4498 10.8449 0.952332 11.6895 -46.0072 54.8372 -1.37122 52.0643 51.9813 TIMING: 3588200 CPU: 10677.3, 0.00293323/step Wall: 10677.3, 0.00293323/step, 1.15031 hours remaining, 207.253906 MB of memory in use. ENERGY: 3588200 734.6368 2102.7293 1941.7485 106.6483 -206556.4689 18056.4314 0.0000 0.0000 34268.6700 -149345.6047 299.2768 -183614.2746 -149249.8797 299.0822 37.4498 74.1518 558227.3902 7.6947 7.8080 LDB: ============= START OF LOAD BALANCING ============== 10680.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10680.9 LDB: =============== DONE WITH MIGRATION ================ 10680.9 LDB: ============= START OF LOAD BALANCING ============== 10681.1 LDB: Largest compute 4802 load 0.024012 is 20.3% of average load 0.118262 LDB: Average compute 0.001733 is 1.5% of average load 0.118262 LDB: TIME 10681.2 LOAD: AVG 0.118262 MAX 0.196763 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.477 MB LDB: TIME 10681.2 LOAD: AVG 0.118262 MAX 0.196763 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.676 MB LDB: TIME 10681.2 LOAD: AVG 0.118262 MAX 0.196763 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.676 MB LDB: ============== END OF LOAD BALANCING =============== 10681.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10681.2 PRESSURE: 3588400 21.1422 -135.274 -15.8695 -135.275 -276.221 -149.863 -15.8702 -149.861 -92.0027 GPRESSURE: 3588400 46.7528 -146.525 -17.4539 -231.351 -216.5 -134.622 -70.1761 -100.538 -84.9133 PRESSAVG: 3588400 27.9093 6.68178 6.81263 6.68184 16.8543 35.929 6.81258 35.9291 37.6305 GPRESSAVG: 3588400 27.1625 7.75789 6.11196 7.22058 17.7054 34.8329 7.71224 37.4299 37.1623 TIMING: 3588400 CPU: 10677.9, 0.00299584/step Wall: 10677.9, 0.00299584/step, 1.1747 hours remaining, 207.187500 MB of memory in use. ENERGY: 3588400 738.9800 2057.2862 1931.7062 106.8216 -206035.9051 17676.0866 0.0000 0.0000 34285.3765 -149239.6481 299.4227 -183525.0245 -149144.3277 298.7323 -115.6939 -84.8869 558164.7748 27.4647 27.3434 PRESSURE: 3588600 5.46883 -117.334 -89.3804 -117.333 -93.721 79.2359 -89.3802 79.2369 -243.906 GPRESSURE: 3588600 21.9867 -141.091 -76.0023 -86.4136 -60.9722 43.6247 -132.755 94.7912 -199.23 PRESSAVG: 3588600 -54.3805 -47.276 57.4411 -47.2759 23.414 4.3478 57.4411 4.3479 -24.9335 GPRESSAVG: 3588600 -55.5766 -46.5893 58.7862 -47.2367 23.2678 4.24272 56.8755 2.85659 -22.907 TIMING: 3588600 CPU: 10678.5, 0.00294296/step Wall: 10678.5, 0.00294296/step, 1.1538 hours remaining, 207.292969 MB of memory in use. ENERGY: 3588600 745.6526 2061.0627 1947.0060 111.6237 -205700.2882 17545.0977 0.0000 0.0000 34117.4579 -149172.3876 297.9562 -183289.8455 -149077.6043 299.4627 -110.7195 -79.4053 558585.1709 -18.6334 -18.4053 PRESSURE: 3588800 -18.7127 -125.789 179.665 -125.788 264.168 57.284 179.665 57.2829 -23.878 GPRESSURE: 3588800 7.7961 -232.893 85.9765 -97.5186 264.451 23.5024 237.201 62.3769 47.1268 PRESSAVG: 3588800 18.6132 -42.2259 53.6835 -42.2259 -0.41055 8.05203 53.6835 8.05195 2.95338 GPRESSAVG: 3588800 19.2554 -41.4012 52.4997 -42.0236 -0.437719 9.20429 55.3458 9.61533 2.67017 TIMING: 3588800 CPU: 10679.1, 0.00296507/step Wall: 10679.1, 0.00296507/step, 1.16231 hours remaining, 207.292969 MB of memory in use. ENERGY: 3588800 768.7643 2069.7238 1936.0268 116.7400 -206327.8358 17780.9485 0.0000 0.0000 34435.5794 -149220.0529 300.7345 -183655.6324 -149126.3849 299.7348 73.8592 106.4580 556760.5446 7.0520 7.1626 PRESSURE: 3589000 -216.787 -21.4262 -32.2185 -21.4266 -95.0638 -109.511 -32.2181 -109.51 -190.179 GPRESSURE: 3589000 -135.848 -91.0264 2.06732 99.1324 -88.3553 -49.1291 -87.9292 -93.4761 -161.83 PRESSAVG: 3589000 -24.3462 11.7549 7.59272 11.7549 95.79 -4.7818 7.59268 -4.78179 -93.9081 GPRESSAVG: 3589000 -24.3539 12.1043 8.21437 10.5978 96.6184 -5.88819 3.06361 -4.63826 -94.9213 TIMING: 3589000 CPU: 10679.7, 0.00294288/step Wall: 10679.7, 0.00294288/step, 1.15344 hours remaining, 207.292969 MB of memory in use. ENERGY: 3589000 747.3587 2041.3485 1927.1418 99.5436 -205886.9780 17531.3769 0.0000 0.0000 34291.1656 -149249.0428 299.4733 -183540.2084 -149140.8600 298.9053 -167.3434 -128.6780 558114.9461 -7.4881 -7.5523 PRESSURE: 3589200 -104.492 -92.2855 88.5702 -92.2861 198.134 -107.792 88.5694 -107.792 106.996 GPRESSURE: 3589200 -70.7655 -99.4289 190.956 11.8308 212.11 -73.9507 82.9744 -106.416 165.891 PRESSAVG: 3589200 -101.01 -4.50338 -12.331 -4.5034 106.623 -30.3477 -12.331 -30.3477 4.05033 GPRESSAVG: 3589200 -101.224 -4.10785 -9.79474 -4.464 105.665 -31.093 -11.0606 -31.3976 5.44932 TIMING: 3589200 CPU: 10680.3, 0.00296523/step Wall: 10680.3, 0.00296523/step, 1.16204 hours remaining, 207.292969 MB of memory in use. ENERGY: 3589200 760.0328 2104.3151 1921.6762 106.2654 -206343.7047 17764.3170 0.0000 0.0000 34515.5729 -149171.5253 301.4331 -183687.0982 -149073.3675 299.5831 66.8790 102.4118 555922.9551 3.2213 3.2970 PRESSURE: 3589400 -135.503 64.3136 102.58 64.3144 138.465 -185.282 102.579 -185.282 185.876 GPRESSURE: 3589400 -95.3035 152.627 122.32 -31.2576 163.685 -135.033 111.451 -186.311 202.776 PRESSAVG: 3589400 -57.3119 -48.9207 -21.3364 -48.9207 39.2443 14.0942 -21.3364 14.0942 27.0365 GPRESSAVG: 3589400 -57.5177 -47.6991 -24.3813 -49.5796 39.7669 14.243 -18.7071 13.9693 26.4153 TIMING: 3589400 CPU: 10680.9, 0.00297632/step Wall: 10680.9, 0.00297632/step, 1.16622 hours remaining, 207.292969 MB of memory in use. ENERGY: 3589400 769.0948 2050.5296 1943.8749 109.1309 -206224.9648 17918.3630 0.0000 0.0000 34314.8181 -149119.1536 299.6798 -183433.9716 -149027.0825 299.3120 62.9460 90.3858 556128.1598 2.9896 2.8882 PRESSURE: 3589600 168.23 24.5306 -47.7232 24.5304 69.9817 42.2635 -47.7232 42.2643 131.118 GPRESSURE: 3589600 210.223 11.7374 -29.227 -21.9181 120.127 21.3569 -32.195 -15.201 134.543 PRESSAVG: 3589600 14.7953 35.3512 1.65701 35.3511 15.6942 -34.1213 1.65712 -34.1214 -23.9183 GPRESSAVG: 3589600 15.4421 34.175 2.3478 36.1091 15.7996 -34.3032 1.35889 -34.3572 -24.7195 TIMING: 3589600 CPU: 10681.5, 0.0029572/step Wall: 10681.5, 0.0029572/step, 1.15857 hours remaining, 207.292969 MB of memory in use. ENERGY: 3589600 688.1542 2065.6740 1964.8517 105.1277 -206268.9561 17933.3329 0.0000 0.0000 34209.2199 -149302.5957 298.7576 -183511.8157 -149202.4645 299.1668 123.1101 154.9642 557612.9779 2.1904 2.1741 PRESSURE: 3589800 92.2931 -28.9096 -53.705 -28.9094 -234.525 67.9087 -53.7051 67.91 71.0184 GPRESSURE: 3589800 127.742 -21.163 -71.514 -17.1129 -176.267 84.3738 -25.1669 115.734 67.2566 PRESSAVG: 3589800 111.789 -22.5763 11.6267 -22.5764 -42.523 -18.7813 11.6267 -18.7813 -39.3194 GPRESSAVG: 3589800 111.799 -23.5321 12.0368 -22.1507 -42.6518 -16.8737 11.7724 -21.0928 -39.1625 TIMING: 3589800 CPU: 10682, 0.00295305/step Wall: 10682, 0.00295305/step, 1.15678 hours remaining, 207.292969 MB of memory in use. ENERGY: 3589800 719.7059 2101.4533 1926.4420 108.8980 -206252.5615 17813.9123 0.0000 0.0000 34212.1811 -149369.9688 298.7835 -183582.1500 -149278.1480 298.3831 -23.7377 6.2439 557400.5049 9.9823 9.9949 PRESSURE: 3590000 -42.4689 -9.96787 -175.026 -9.96578 -288.901 35.2759 -175.026 35.2764 -19.4222 GPRESSURE: 3590000 -60.4806 -44.7184 -165.669 -10.7226 -259.447 147.207 -211.805 -129.198 70.3435 PRESSAVG: 3590000 -43.0875 1.97924 23.0197 1.97917 -63.7904 -30.7885 23.0196 -30.7885 100.304 GPRESSAVG: 3590000 -43.0388 1.64796 22.1093 4.02118 -63.9028 -32.85 22.8592 -29.31 100.263 TIMING: 3590000 CPU: 10682.6, 0.00294799/step Wall: 10682.6, 0.00294799/step, 1.15463 hours remaining, 207.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3590000 739.0109 2060.1577 1945.4734 99.2419 -205709.4149 17522.1366 0.0000 0.0000 33984.5641 -149358.8302 296.7957 -183343.3943 -149263.7088 297.9900 -116.9308 -83.1947 558850.3142 -2.1914 -2.2261 PRESSURE: 3590200 -65.0313 17.0573 18.5047 17.0566 41.896 -211.586 18.5059 -211.587 16.7528 GPRESSURE: 3590200 16.7747 -54.2206 -23.5714 -60.0838 11.132 -224.313 58.7034 -136.359 62.0181 PRESSAVG: 3590200 -18.2542 -13.4847 -36.3531 -13.4847 -43.6553 -28.5169 -36.353 -28.5169 31.3964 GPRESSAVG: 3590200 -19.2157 -11.865 -35.836 -15.9153 -43.6746 -27.6679 -37.2472 -27.2296 32.3739 TIMING: 3590200 CPU: 10683.2, 0.0029626/step Wall: 10683.2, 0.0029626/step, 1.16019 hours remaining, 207.292969 MB of memory in use. ENERGY: 3590200 742.5774 2092.3888 1948.2711 109.3215 -206063.8416 17662.8112 0.0000 0.0000 34099.9972 -149408.4745 297.8038 -183508.4717 -149314.8406 298.7281 -2.1275 29.9749 557301.4273 -10.1710 -10.1721 PRESSURE: 3590400 -2.70763 193.276 -124.473 193.275 -245.826 -1.91955 -124.473 -1.92095 -187.608 GPRESSURE: 3590400 107.805 275.526 -133.607 98.0941 -225.885 57.9539 -155.122 47.2743 -221.961 PRESSAVG: 3590400 -0.70355 11.2444 14.0277 11.2444 -59.0688 -67.5772 14.0277 -67.5773 104.111 GPRESSAVG: 3590400 -0.389803 10.5705 13.9897 11.7608 -58.668 -68.4457 15.0651 -68.1134 103.422 TIMING: 3590400 CPU: 10683.8, 0.00292906/step Wall: 10683.8, 0.00292906/step, 1.14689 hours remaining, 207.292969 MB of memory in use. ENERGY: 3590400 777.3635 2094.8747 1928.8149 102.9842 -206172.3726 17700.4593 0.0000 0.0000 34247.6044 -149320.2716 299.0928 -183567.8760 -149232.4698 298.4360 -145.3805 -113.3471 558353.5622 14.7795 14.7881 PRESSURE: 3590600 -77.4274 162.282 -7.53346 162.28 -243.076 -115.034 -7.53409 -115.034 -96.3027 GPRESSURE: 3590600 -88.3791 129.599 -83.1349 125.497 -221.751 -114.283 -38.4502 -120.825 -9.78133 PRESSAVG: 3590600 3.40882 36.6546 14.3862 36.6546 -9.81055 -42.2062 14.386 -42.2063 21.1061 GPRESSAVG: 3590600 2.45785 39.1972 12.3986 34.9849 -9.96713 -39.8852 15.5548 -43.3726 21.85 TIMING: 3590600 CPU: 10684.4, 0.00291582/step Wall: 10684.4, 0.00291582/step, 1.14155 hours remaining, 207.292969 MB of memory in use. ENERGY: 3590600 696.4152 2106.5027 1908.7848 105.2619 -205909.9186 17525.8142 0.0000 0.0000 34390.4149 -149176.7250 300.3400 -183567.1399 -149079.9041 298.9004 -138.9352 -106.6372 558048.6148 4.9014 4.7802 PRESSURE: 3590800 -172.925 15.7417 -85.0333 15.7421 21.8242 32.2956 -85.0347 32.2954 69.6975 GPRESSURE: 3590800 -126.035 5.59248 -88.0983 95.3223 77.4594 6.16344 46.9963 3.55722 75.9285 PRESSAVG: 3590800 -33.4999 74.1369 15.2173 74.1369 24.1285 1.61272 15.2173 1.61273 18.0796 GPRESSAVG: 3590800 -32.9463 72.123 16.9749 74.2704 23.4636 -0.127234 12.535 2.71076 17.7867 TIMING: 3590800 CPU: 10685, 0.00291261/step Wall: 10685, 0.00291261/step, 1.14012 hours remaining, 207.292969 MB of memory in use. ENERGY: 3590800 740.8002 2047.8748 1936.0832 114.8775 -206068.2065 17801.4683 0.0000 0.0000 34417.4602 -149009.6424 300.5762 -183427.1025 -148905.5994 300.1321 -27.1346 9.1177 558788.1977 2.9027 2.7680 PRESSURE: 3591000 -100.868 31.1554 54.0726 31.1553 82.5823 168.522 54.0715 168.523 -143.356 GPRESSURE: 3591000 -49.3652 49.1924 89.6003 -12.309 110.451 45.5167 44.6628 206.5 -110.999 PRESSAVG: 3591000 -46.6436 68.2863 -32.6218 68.2863 51.5356 -35.1723 -32.6218 -35.1723 23.5666 GPRESSAVG: 3591000 -47.6039 68.2108 -29.7707 69.5946 51.2009 -36.3846 -33.603 -33.6903 24.6274 TIMING: 3591000 CPU: 10685.6, 0.00291126/step Wall: 10685.6, 0.00291126/step, 1.13944 hours remaining, 207.292969 MB of memory in use. ENERGY: 3591000 735.8288 2025.1496 1908.9685 106.5579 -206138.4019 17878.3743 0.0000 0.0000 34464.2310 -149019.2919 300.9847 -183483.5229 -148913.4336 300.2739 -53.8806 -16.6375 559140.4283 9.4862 9.4081 PRESSURE: 3591200 -21.4395 139.498 44.7908 139.498 -285.274 -55.6095 44.7908 -55.6075 -167.69 GPRESSURE: 3591200 -37.9123 223.319 122.564 60.1861 -221.362 -48.4226 -25.3289 -119.701 -110.034 PRESSAVG: 3591200 -38.005 25.2555 25.0521 25.2555 -1.99221 -8.88418 25.0521 -8.88412 6.90844 GPRESSAVG: 3591200 -37.1204 23.5214 22.1306 25.4115 -1.21431 -9.56107 26.3727 -9.15407 5.80616 TIMING: 3591200 CPU: 10686.2, 0.00293456/step Wall: 10686.2, 0.00293456/step, 1.14839 hours remaining, 207.292969 MB of memory in use. ENERGY: 3591200 764.9660 2106.6294 1924.8543 108.5268 -205491.2857 17439.4885 0.0000 0.0000 34289.3829 -148857.4378 299.4577 -183146.8206 -148768.0606 299.9521 -158.1344 -123.1029 558780.8392 -11.0296 -10.8428 PRESSURE: 3591400 -81.249 20.0443 -64.3459 20.0444 -147.759 74.0771 -64.3461 74.0765 -122.397 GPRESSURE: 3591400 -13.2271 -20.193 -37.6262 3.88862 -134.392 77.7845 -23.9041 109.401 -105.959 PRESSAVG: 3591400 -25.0087 19.8436 29.2077 19.8435 -24.7862 53.7963 29.2075 53.7964 46.5553 GPRESSAVG: 3591400 -24.0847 21.8759 28.9452 18.3197 -24.8266 56.226 30.3546 52.4798 45.7503 TIMING: 3591400 CPU: 10686.7, 0.00295038/step Wall: 10686.7, 0.00295038/step, 1.15442 hours remaining, 207.292969 MB of memory in use. ENERGY: 3591400 798.6507 2081.2818 1932.3361 109.5796 -205861.9293 17758.7730 0.0000 0.0000 34199.4742 -148981.8339 298.6725 -183181.3082 -148883.9986 299.5989 -117.1351 -84.5259 560031.5767 -1.0799 -1.0536 PRESSURE: 3591600 166.057 137.153 35.9621 137.153 -104.416 95.8278 35.9626 95.8283 110.414 GPRESSURE: 3591600 166.203 165.46 81.0241 9.60471 -62.9323 104.708 -101.114 114.785 146.93 PRESSAVG: 3591600 -50.9409 -32.3217 75.063 -32.3218 48.0737 52.9404 75.0629 52.9404 18.5983 GPRESSAVG: 3591600 -52.5411 -35.4502 75.9664 -29.0105 48.2021 52.8246 74.1092 56.0963 19.2435 TIMING: 3591600 CPU: 10687.3, 0.00297972/step Wall: 10687.3, 0.00297972/step, 1.16573 hours remaining, 207.292969 MB of memory in use. ENERGY: 3591600 804.0626 2004.6990 1945.7611 123.2759 -205934.1087 17832.1605 0.0000 0.0000 34261.3987 -148962.7510 299.2133 -183224.1496 -148865.8678 299.2150 57.3516 83.4002 559570.0362 5.2437 4.9681 PRESSURE: 3591800 -395.621 32.2376 -26.6418 32.2369 -297.126 -160.906 -26.6415 -160.906 -77.8483 GPRESSURE: 3591800 -295.416 87.3681 -77.9581 -7.70574 -331.892 -212.164 60.4406 -134.813 -40.6129 PRESSAVG: 3591800 -16.5203 -9.28755 22.2542 -9.28743 -3.3315 15.8047 22.2542 15.8048 33.3756 GPRESSAVG: 3591800 -15.453 -5.2351 22.2935 -13.0618 -4.1318 14.5187 22.1289 12.4546 33.3734 TIMING: 3591800 CPU: 10687.9, 0.00300541/step Wall: 10687.9, 0.00300541/step, 1.17562 hours remaining, 207.292969 MB of memory in use. ENERGY: 3591800 765.7284 2123.0992 1918.4954 113.2393 -205501.2434 17348.2400 0.0000 0.0000 34487.4410 -148745.0002 301.1874 -183232.4412 -148648.2638 300.0239 -256.8649 -222.6404 560132.0573 4.5079 4.5962 PRESSURE: 3592000 123.577 52.2479 140.663 52.2479 114.161 143.771 140.664 143.772 234.076 GPRESSURE: 3592000 180.249 31.229 112.332 -17.6588 176.964 115.535 117.7 132.438 201.779 PRESSAVG: 3592000 -55.8146 33.4688 26.7572 33.4689 -12.0324 -0.208183 26.7572 -0.208209 61.2572 GPRESSAVG: 3592000 -55.7207 32.4514 27.1281 34.8015 -11.6809 -0.747641 28.0226 0.117818 60.7824 TIMING: 3592000 CPU: 10688.5, 0.00294897/step Wall: 10688.5, 0.00294897/step, 1.15338 hours remaining, 207.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3592000 753.6981 2095.3875 1955.3654 109.4933 -206233.5567 18071.4535 0.0000 0.0000 34491.2573 -148756.9015 301.2207 -183248.1588 -148661.5528 300.5564 157.2712 186.3309 558567.9517 -2.1966 -2.2064 PRESSURE: 3592200 -382.35 83.5455 50.8664 83.5455 219.15 56.4738 50.8667 56.4739 138.413 GPRESSURE: 3592200 -324.961 44.7622 95.6093 136.517 231.533 116.463 -73.694 11.4657 169.373 PRESSAVG: 3592200 -19.349 -25.415 58.3402 -25.4151 41.3256 -17.9795 58.3401 -17.9794 -2.97772 GPRESSAVG: 3592200 -20.1801 -26.1447 58.0024 -25.7966 40.9911 -18.1937 57.3872 -16.6855 -2.08504 TIMING: 3592200 CPU: 10689.1, 0.0029723/step Wall: 10689.1, 0.0029723/step, 1.16233 hours remaining, 207.292969 MB of memory in use. ENERGY: 3592200 772.3931 2100.7296 1921.8844 115.8280 -205834.7943 17761.5161 0.0000 0.0000 34333.2274 -148829.2157 299.8406 -183162.4431 -148734.5395 300.3522 -8.2621 25.3151 557565.0463 6.3329 6.2420 LDB: ============= START OF LOAD BALANCING ============== 10692.7 LDB: ============== END OF LOAD BALANCING =============== 10692.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10692.7 LDB: ============= START OF LOAD BALANCING ============== 10693 LDB: Largest compute 4802 load 0.026184 is 22.1% of average load 0.118272 LDB: Average compute 0.001733 is 1.5% of average load 0.118272 LDB: TIME 10693 LOAD: AVG 0.118272 MAX 0.197234 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 10693 LOAD: AVG 0.118272 MAX 0.197234 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: TIME 10693 LOAD: AVG 0.118272 MAX 0.197234 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10693 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10693 PRESSURE: 3592400 -231.106 71.0517 15.8417 71.0507 -15.1988 -47.414 15.8416 -47.415 -367.42 GPRESSURE: 3592400 -252.679 51.2255 -25.0798 6.8338 42.7179 -51.9995 63.5443 24.6737 -305.474 PRESSAVG: 3592400 39.2855 54.0361 25.6356 54.0362 -32.3251 32.1906 25.6357 32.1906 -5.74739 GPRESSAVG: 3592400 38.5278 56.0197 25.0668 53.3449 -31.4848 33.5054 26.6045 30.519 -6.40823 TIMING: 3592400 CPU: 10689.7, 0.00302274/step Wall: 10689.7, 0.00302274/step, 1.18189 hours remaining, 207.765625 MB of memory in use. ENERGY: 3592400 752.0973 2118.9064 1931.3025 111.2046 -205630.5796 17483.9351 0.0000 0.0000 34389.4798 -148843.6539 300.3319 -183233.1337 -148744.8081 300.5773 -204.5750 -171.8116 559052.8106 0.4043 0.2116 PRESSURE: 3592600 0.14974 27.2443 -106.93 27.2457 -93.3568 19.3609 -106.93 19.3605 -143.059 GPRESSURE: 3592600 42.9157 40.0845 -64.4906 85.1745 -45.2304 56.9289 -168.682 -19.0115 -130.606 PRESSAVG: 3592600 17.2109 48.8003 -18.8557 48.8003 30.0632 -6.95984 -18.8557 -6.95985 -44.0056 GPRESSAVG: 3592600 17.0237 45.5107 -19.4985 50.5418 29.5508 -7.32284 -20.0218 -6.37058 -43.4746 TIMING: 3592600 CPU: 10690.3, 0.00294626/step Wall: 10690.3, 0.00294626/step, 1.15182 hours remaining, 207.765625 MB of memory in use. ENERGY: 3592600 764.1581 2085.4916 1935.0900 112.1001 -205908.2473 17717.6121 0.0000 0.0000 34646.7439 -148647.0515 302.5786 -183293.7954 -148553.4364 300.7072 -78.7553 -44.3070 559056.8064 1.0895 1.0333 PRESSURE: 3592800 -101.135 97.5084 -186.495 97.5084 -229.565 72.4677 -186.495 72.4643 -201.697 GPRESSURE: 3592800 -53.8348 49.5231 -154.481 121.339 -175.912 8.92303 -155.005 127.436 -201.591 PRESSAVG: 3592800 -15.9312 41.753 -53.7199 41.753 71.7047 -5.46417 -53.72 -5.4641 -11.3989 GPRESSAVG: 3592800 -15.9214 43.8398 -50.1396 38.8064 72.3739 -5.67187 -54.6654 -4.1125 -12.0971 TIMING: 3592800 CPU: 10690.9, 0.00293174/step Wall: 10690.9, 0.00293174/step, 1.14599 hours remaining, 207.765625 MB of memory in use. ENERGY: 3592800 772.5810 2096.4975 1911.9677 112.1936 -205470.1693 17510.0512 0.0000 0.0000 34445.7619 -148621.1165 300.8234 -183066.8784 -148522.7382 301.0547 -177.4657 -143.7793 558534.6479 14.7915 14.7852 PRESSURE: 3593000 107.115 263.538 -62.9941 263.538 -37.8899 139.185 -62.9945 139.186 -149.502 GPRESSURE: 3593000 160.701 233.843 -117.08 241.826 -67.3074 197.443 -62.0394 110.046 -86.1456 PRESSAVG: 3593000 -1.77104 6.99292 -7.09462 6.9928 -21.3866 62.0992 -7.09459 62.0992 26.2229 GPRESSAVG: 3593000 -0.800452 6.1951 -10.2143 7.58196 -22.3579 62.6557 -5.41986 61.3425 26.43 TIMING: 3593000 CPU: 10691.5, 0.00293716/step Wall: 10691.5, 0.00293716/step, 1.14794 hours remaining, 207.765625 MB of memory in use. ENERGY: 3593000 730.5322 2110.0340 1930.0383 116.5776 -205469.5108 17687.5703 0.0000 0.0000 34229.1251 -148665.6332 298.9315 -182894.7583 -148566.3115 300.8726 -26.7590 2.4161 559132.0843 1.0218 1.0906 PRESSURE: 3593200 -28.443 -29.7986 -58.8808 -29.8 96.5866 -18.591 -58.8792 -18.59 78.3507 GPRESSURE: 3593200 34.165 8.45092 -3.54563 -51.7506 107.995 0.0977956 -128.359 -13.8804 105.596 PRESSAVG: 3593200 28.1365 24.8451 -9.75575 24.8451 -51.0982 -13.9781 -9.75571 -13.9782 47.7123 GPRESSAVG: 3593200 26.6427 25.923 -6.70668 24.6913 -49.8436 -12.9992 -10.9919 -16.0505 47.9939 TIMING: 3593200 CPU: 10692.1, 0.0029437/step Wall: 10692.1, 0.0029437/step, 1.15033 hours remaining, 207.765625 MB of memory in use. ENERGY: 3593200 738.6246 2079.6572 1942.5280 112.1187 -205786.9739 17896.8789 0.0000 0.0000 34307.9042 -148709.2623 299.6195 -183017.1666 -148616.4064 300.4820 48.8314 82.5854 558765.2675 8.2502 8.2643 PRESSURE: 3593400 -110.413 147.941 39.1827 147.943 172.608 -11.1902 39.1829 -11.1898 73.981 GPRESSURE: 3593400 -63.7193 202.299 53.9386 106.096 172.689 -3.74409 54.302 -8.20638 130.586 PRESSAVG: 3593400 -17.374 -43.3733 -4.54045 -43.3733 28.5331 6.28128 -4.54048 6.28131 -4.09715 GPRESSAVG: 3593400 -17.524 -44.9288 -6.52828 -41.5822 28.4168 6.71842 -3.4099 8.63899 -4.10516 TIMING: 3593400 CPU: 10692.7, 0.00294691/step Wall: 10692.7, 0.00294691/step, 1.15142 hours remaining, 207.765625 MB of memory in use. ENERGY: 3593400 719.3510 2047.5091 1953.1239 114.6424 -205969.5167 17770.8956 0.0000 0.0000 34654.0722 -148709.9227 302.6426 -183363.9948 -148609.5037 300.8407 45.3920 79.8519 557174.7675 2.3540 2.2625 PRESSURE: 3593600 -311.931 49.9694 -5.60563 49.9684 -186.921 10.6399 -5.60568 10.6396 -0.0768279 GPRESSURE: 3593600 -260.807 58.6877 -33.1145 -8.91179 -179.316 12.0658 -42.8516 38.3627 42.4347 PRESSAVG: 3593600 10.0912 -34.9569 -3.0454 -34.9569 4.0078 -35.4377 -3.04529 -35.4378 0.379326 GPRESSAVG: 3593600 11.4554 -34.0429 -4.79331 -34.5715 3.95665 -35.1969 -3.92507 -36.4062 -0.229458 TIMING: 3593600 CPU: 10693.3, 0.00295593/step Wall: 10693.3, 0.00295593/step, 1.15478 hours remaining, 207.765625 MB of memory in use. ENERGY: 3593600 776.5637 2013.6682 1954.7437 104.0868 -205933.0819 17657.5070 0.0000 0.0000 34566.7905 -148859.7220 301.8804 -183426.5125 -148754.7548 300.9976 -166.3094 -132.5627 557486.5940 4.8261 5.0609 PRESSURE: 3593800 -184.792 50.8544 113.381 50.8537 -178.327 -0.683957 113.382 -0.682967 26.1847 GPRESSURE: 3593800 -153.9 47.9283 87.5911 48.9497 -164.147 38.6016 166.959 37.3779 77.3427 PRESSAVG: 3593800 27.9219 67.6637 -14.3945 67.6637 -4.61458 -25.1416 -14.3945 -25.1417 -15.1406 GPRESSAVG: 3593800 26.3014 68.1347 -13.6449 67.7158 -4.50977 -26.6902 -13.5645 -24.2842 -13.5337 TIMING: 3593800 CPU: 10693.9, 0.00298337/step Wall: 10693.9, 0.00298337/step, 1.16534 hours remaining, 207.765625 MB of memory in use. ENERGY: 3593800 751.6588 2090.5478 1943.5279 112.8783 -205555.1736 17593.5598 0.0000 0.0000 34281.0840 -148781.9171 299.3852 -183063.0011 -148676.1467 300.0638 -112.3112 -80.2350 559083.6514 2.7222 2.7526 PRESSURE: 3594000 3.26025 -40.5458 98.3319 -40.546 52.4803 -61.4037 98.3318 -61.4046 156.06 GPRESSURE: 3594000 29.5178 46.5159 101.093 -90.6936 106.296 25.5256 82.6493 -58.2654 182.418 PRESSAVG: 3594000 -15.0709 28.2382 18.72 28.2381 -29.0746 27.4465 18.72 27.4464 14.1028 GPRESSAVG: 3594000 -13.706 26.6681 18.9394 29.8379 -29.2594 29.513 18.7931 27.3614 13.0606 TIMING: 3594000 CPU: 10694.4, 0.00294788/step Wall: 10694.4, 0.00294788/step, 1.15131 hours remaining, 207.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3594000 728.6451 2094.9195 1961.3695 120.8237 -206037.3244 17933.7441 0.0000 0.0000 34274.6821 -148923.1404 299.3293 -183197.8225 -148829.3655 300.2474 70.6003 106.0773 558183.9149 -10.0142 -9.9683 PRESSURE: 3594200 -287.197 38.6252 4.30904 38.6249 -62.02 -33.1108 4.30768 -33.1107 53.0786 GPRESSURE: 3594200 -228.528 44.1477 29.629 26.7756 -24.5468 -39.8191 0.444375 -74.2359 54.7994 PRESSAVG: 3594200 -56.1493 29.9855 2.76013 29.9856 45.4655 -31.7904 2.76012 -31.7905 -20.547 GPRESSAVG: 3594200 -55.9675 30.5377 4.42437 28.9849 45.4739 -32.7065 3.894 -30.8498 -21.0085 TIMING: 3594200 CPU: 10695, 0.00295388/step Wall: 10695, 0.00295388/step, 1.15349 hours remaining, 207.765625 MB of memory in use. ENERGY: 3594200 754.0386 2093.0714 1925.4136 113.3006 -205975.0386 17850.9795 0.0000 0.0000 34220.3320 -149017.9029 298.8547 -183238.2349 -148917.1935 299.5511 -98.7129 -66.0920 560486.5067 -10.4103 -10.5007 PRESSURE: 3594400 -56.3333 79.8213 -89.4426 79.8219 16.9944 172.947 -89.4417 172.947 145.352 GPRESSURE: 3594400 -13.8257 133.132 -147.458 38.2424 7.01513 180.367 -40.9117 191.488 216.475 PRESSAVG: 3594400 -43.2723 16.7817 -9.04454 16.7818 63.7695 20.6024 -9.04452 20.6023 -15.9335 GPRESSAVG: 3594400 -43.6811 16.42 -10.0054 15.7632 64.2865 20.4965 -8.54075 18.8812 -15.7815 TIMING: 3594400 CPU: 10695.6, 0.00297079/step Wall: 10695.6, 0.00297079/step, 1.15993 hours remaining, 207.765625 MB of memory in use. ENERGY: 3594400 795.0687 2051.5851 1948.9289 110.9110 -205823.2945 17838.6626 0.0000 0.0000 34471.6248 -148606.5134 301.0493 -183078.1382 -148513.4671 300.6507 35.3378 69.8883 559216.9179 1.5212 1.6080 PRESSURE: 3594600 -279.9 -62.0562 -31.9714 -62.0562 -215.936 -50.9554 -31.9721 -50.9557 -231.637 GPRESSURE: 3594600 -211.623 -63.9681 76.6697 -43.8386 -183.961 -17.5456 -58.8449 0.476729 -228.797 PRESSAVG: 3594600 -77.474 19.6627 17.8967 19.6627 73.4624 35.1165 17.8967 35.1164 20.0947 GPRESSAVG: 3594600 -79.1277 21.784 18.6539 20.61 74.0161 34.8881 16.184 35.5064 21.3121 TIMING: 3594600 CPU: 10696.2, 0.00295032/step Wall: 10696.2, 0.00295032/step, 1.15177 hours remaining, 207.765625 MB of memory in use. ENERGY: 3594600 721.0070 2071.8876 1945.8757 119.1734 -205047.4187 17259.6433 0.0000 0.0000 34462.4949 -148467.3368 300.9695 -182929.8317 -148376.4469 300.8080 -242.4911 -208.1270 560312.5226 5.3610 5.4002 PRESSURE: 3594800 79.528 -162.347 -69.2853 -162.346 -159.189 -58.1575 -69.2849 -58.1571 -85.5467 GPRESSURE: 3594800 49.6941 -91.436 -146.909 -193.469 -97.7799 -130.211 -95.2672 18.3785 -28.6689 PRESSAVG: 3594800 -3.1401 -35.3884 -7.86183 -35.3884 36.5428 -6.14088 -7.8619 -6.14098 18.0428 GPRESSAVG: 3594800 -1.64883 -36.1997 -8.3503 -36.068 36.2236 -6.5073 -8.16497 -5.1974 17.0585 TIMING: 3594800 CPU: 10696.8, 0.00293976/step Wall: 10696.8, 0.00293976/step, 1.14749 hours remaining, 207.765625 MB of memory in use. ENERGY: 3594800 750.6242 2041.3522 1943.3571 111.4950 -205815.1313 17659.9598 0.0000 0.0000 34582.5457 -148725.7974 302.0180 -183308.3431 -148625.5256 300.6504 -55.0694 -25.5849 558559.3679 17.1485 17.2111 PRESSURE: 3595000 3.0427 -0.0160252 -225.514 -0.0153029 -73.2712 97.8426 -225.516 97.8435 -65.4599 GPRESSURE: 3595000 78.5926 14.6402 -191.863 -115.415 -69.2542 63.3173 -229.957 113.08 -51.5442 PRESSAVG: 3595000 -26.9516 -19.9518 24.7215 -19.9518 -16.6704 -17.4171 24.7215 -17.417 33.9439 GPRESSAVG: 3595000 -26.0591 -19.2345 26.2615 -19.8182 -18.0625 -17.9534 25.533 -16.3244 33.793 TIMING: 3595000 CPU: 10697.4, 0.00299002/step Wall: 10697.4, 0.00299002/step, 1.16694 hours remaining, 207.765625 MB of memory in use. ENERGY: 3595000 762.8198 2069.7605 1917.3262 119.5683 -205666.5445 17630.2649 0.0000 0.0000 34547.8978 -148618.9069 301.7154 -183166.8047 -148519.4631 300.9232 -45.2295 -14.0686 557309.3875 -3.2260 -3.4429 PRESSURE: 3595200 -30.7726 -24.9688 5.55517 -24.9694 410.173 68.4551 5.55536 68.4542 -82.1718 GPRESSURE: 3595200 -50.5754 -16.4562 -19.9407 -61.683 454.561 33.6668 -20.1799 162.17 -3.77963 PRESSAVG: 3595200 4.6674 -9.25429 48.8568 -9.25424 65.4818 21.0118 48.8568 21.0118 -3.26665 GPRESSAVG: 3595200 3.23637 -11.1464 47.0119 -7.61161 67.1265 20.4691 47.17 20.3685 -3.45264 TIMING: 3595200 CPU: 10698, 0.00295974/step Wall: 10698, 0.00295974/step, 1.15496 hours remaining, 207.765625 MB of memory in use. ENERGY: 3595200 758.6836 2091.0246 1911.2033 113.2253 -206092.6014 17881.6099 0.0000 0.0000 34646.8923 -148689.9624 302.5799 -183336.8547 -148587.5516 300.6846 99.0763 133.4020 556691.2891 22.2942 22.3034 PRESSURE: 3595400 -352.636 37.8566 29.2965 37.8579 121.934 20.2787 29.2973 20.2792 -410.473 GPRESSURE: 3595400 -303.848 -17.5535 6.08288 62.9022 131.558 -61.3397 77.743 94.6987 -357.01 PRESSAVG: 3595400 -10.5315 -12.02 49.219 -12.02 9.94906 -8.68633 49.2191 -8.68635 18.9629 GPRESSAVG: 3595400 -8.79211 -12.7158 50.3472 -10.7047 8.50364 -8.06217 53.2182 -9.74834 18.5719 TIMING: 3595400 CPU: 10698.6, 0.00297826/step Wall: 10698.6, 0.00297826/step, 1.16202 hours remaining, 207.765625 MB of memory in use. ENERGY: 3595400 743.1105 2102.7880 1943.2192 101.0167 -205573.6573 17693.6682 0.0000 0.0000 34334.3034 -148655.5513 299.8500 -182989.8547 -148561.7367 301.4652 -213.7248 -176.4331 559779.0171 6.1268 6.0945 PRESSURE: 3595600 53.0399 54.4791 -140.718 54.4801 36.316 -66.4373 -140.719 -66.4367 40.4909 GPRESSURE: 3595600 66.1382 105.836 -165.651 -31.4999 70.5111 -7.46939 -156.429 -68.1323 83.5978 PRESSAVG: 3595600 -100.027 50.2127 -16.9144 50.2127 59.4788 -30.732 -16.9144 -30.7321 53.7226 GPRESSAVG: 3595600 -100.512 52.5018 -16.753 48.4296 60.4084 -29.7005 -22.0476 -29.345 53.7437 TIMING: 3595600 CPU: 10699.2, 0.00295882/step Wall: 10699.2, 0.00295882/step, 1.15427 hours remaining, 207.765625 MB of memory in use. ENERGY: 3595600 739.8690 2158.6796 1925.4570 111.1934 -206086.2698 18042.9678 0.0000 0.0000 34334.2260 -148773.8770 299.8493 -183108.1030 -148679.1853 300.4569 43.2823 73.4157 558723.6754 4.3916 4.5467 PRESSURE: 3595800 -156.953 83.6097 89.2238 83.6111 -103.014 36.8319 89.2236 36.8325 -118.098 GPRESSURE: 3595800 -121.999 45.5951 -16.9575 169.567 -32.762 22.4501 121.528 12.6024 -137.114 PRESSAVG: 3595800 -7.41364 1.879 -20.6512 1.87901 14.1277 -29.428 -20.6512 -29.428 -12.3955 GPRESSAVG: 3595800 -6.12374 2.95304 -21.8122 1.50705 13.7832 -28.252 -17.7117 -31.132 -13.3756 TIMING: 3595800 CPU: 10699.8, 0.00297556/step Wall: 10699.8, 0.00297556/step, 1.16064 hours remaining, 207.765625 MB of memory in use. ENERGY: 3595800 751.4100 2043.2726 1914.1162 115.1161 -205405.8761 17698.7038 0.0000 0.0000 34105.3104 -148777.9470 297.8502 -182883.2574 -148682.8039 300.4637 -126.0215 -97.2916 560137.8059 -1.8938 -1.9054 PRESSURE: 3596000 62.4665 -77.1677 80.0845 -77.1669 79.1393 -73.7391 80.0847 -73.74 -27.1451 GPRESSURE: 3596000 110.298 -134.844 187.34 -55.0591 142.492 0.548586 78.4239 -50.0404 -44.2973 PRESSAVG: 3596000 49.5591 -49.5339 2.39968 -49.534 47.452 -57.3267 2.39968 -57.3268 -153.994 GPRESSAVG: 3596000 47.9785 -50.6391 5.30983 -48.613 47.2628 -57.3741 1.20412 -58.5179 -152.827 TIMING: 3596000 CPU: 10700.4, 0.00295894/step Wall: 10700.4, 0.00295894/step, 1.15398 hours remaining, 207.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3596000 748.0879 2076.3725 1916.2805 104.3207 -205591.6819 17603.8088 0.0000 0.0000 34395.4788 -148747.3327 300.3843 -183142.8115 -148652.8451 299.8004 38.1536 69.4974 558346.0111 -18.9942 -19.1953 PRESSURE: 3596200 -79.633 -141.079 -0.621195 -141.079 68.9774 42.9585 -0.620425 42.9582 11.5528 GPRESSURE: 3596200 8.28159 -141.562 49.6037 -118.153 49.7597 22.3683 -46.4331 56.9037 34.7679 PRESSAVG: 3596200 5.87617 -35.6929 10.6 -35.6929 0.792594 -0.541699 10.6001 -0.541691 8.65083 GPRESSAVG: 3596200 5.43159 -35.075 7.17318 -37.7401 1.74008 -0.862253 11.3742 0.527781 8.00831 TIMING: 3596200 CPU: 10701, 0.00294313/step Wall: 10701, 0.00294313/step, 1.14766 hours remaining, 207.765625 MB of memory in use. ENERGY: 3596200 803.0407 2147.4658 1920.1256 128.5551 -205982.6191 17874.4793 0.0000 0.0000 34200.1080 -148908.8448 298.6780 -183108.9527 -148807.3583 300.0119 0.2991 30.9364 558702.7577 5.1065 5.0600 LDB: ============= START OF LOAD BALANCING ============== 10704.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10704.5 LDB: =============== DONE WITH MIGRATION ================ 10704.5 LDB: ============= START OF LOAD BALANCING ============== 10704.8 LDB: Largest compute 4802 load 0.025759 is 21.8% of average load 0.118260 LDB: Average compute 0.001740 is 1.5% of average load 0.118260 LDB: TIME 10704.8 LOAD: AVG 0.11826 MAX 0.194266 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.512 MB LDB: TIME 10704.8 LOAD: AVG 0.11826 MAX 0.194266 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.512 MB LDB: TIME 10704.8 LOAD: AVG 0.11826 MAX 0.194266 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.512 MB LDB: ============== END OF LOAD BALANCING =============== 10704.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10704.8 PRESSURE: 3596400 -143.236 -87.9394 232.485 -87.9391 177.365 20.9836 232.486 20.9834 169.785 GPRESSURE: 3596400 -59.1661 -66.5505 241.18 -68.0253 171.048 19.73 206.345 -11.9838 181.983 PRESSAVG: 3596400 -16.7764 -42.6918 33.1139 -42.6917 39.7087 17.0173 33.114 17.0172 2.71746 GPRESSAVG: 3596400 -16.3453 -42.5958 34.2598 -41.7638 40.0283 16.0868 31.7092 17.8389 1.77142 TIMING: 3596400 CPU: 10701.6, 0.00298818/step Wall: 10701.6, 0.00298818/step, 1.16506 hours remaining, 207.054688 MB of memory in use. ENERGY: 3596400 739.9803 2105.0779 1942.4197 117.7956 -206127.4142 17808.1243 0.0000 0.0000 34372.4374 -149041.5789 300.1830 -183414.0164 -148940.1227 299.1539 67.9711 97.9548 556814.7675 8.5499 8.4848 PRESSURE: 3596600 91.8765 120.575 -81.025 120.577 100.804 -126.097 -81.0244 -126.098 -159.114 GPRESSURE: 3596600 156.675 107.207 -59.2077 106.522 111.421 -121.687 -72.9018 -136.226 -131.003 PRESSAVG: 3596600 65.1593 5.21305 97.9221 5.21307 -71.2414 -44.5602 97.9222 -44.5601 -13.7531 GPRESSAVG: 3596600 64.819 4.68615 99.112 4.67151 -71.529 -47.0408 98.2291 -44.5148 -13.4047 TIMING: 3596600 CPU: 10702.1, 0.00294557/step Wall: 10702.1, 0.00294557/step, 1.14828 hours remaining, 207.257812 MB of memory in use. ENERGY: 3596600 720.3339 2151.2798 1962.5120 112.3295 -205770.1526 17691.0659 0.0000 0.0000 34287.8269 -148844.8045 299.4441 -183132.6313 -148752.5185 299.5320 11.1891 45.6976 557478.1105 -6.6117 -6.7049 PRESSURE: 3596800 -2.29126 -26.483 -22.2188 -26.484 29.9813 -28.2504 -22.2187 -28.2498 -58.4145 GPRESSURE: 3596800 0.0126409 -50.6834 -3.62127 -0.881371 59.7797 -5.0055 -78.6401 -11.8284 16.3422 PRESSAVG: 3596800 41.9428 21.7348 37.0779 21.7349 10.1978 -11.3566 37.0778 -11.3566 -84.5181 GPRESSAVG: 3596800 42.9317 19.2889 35.5221 24.0774 9.47843 -10.5413 39.2239 -11.332 -84.7309 TIMING: 3596800 CPU: 10702.7, 0.00294652/step Wall: 10702.7, 0.00294652/step, 1.14849 hours remaining, 207.296875 MB of memory in use. ENERGY: 3596800 694.9991 2104.6364 1955.8810 111.5003 -205984.5984 17741.4923 0.0000 0.0000 34366.2589 -149009.8305 300.1291 -183376.0894 -148908.7169 299.8412 -10.2415 25.3782 557245.3796 -10.7925 -10.7736 PRESSURE: 3597000 -224.25 -4.39206 122.042 -4.3918 14.4895 155.83 122.042 155.831 -245.924 GPRESSURE: 3597000 -173.345 -62.7138 98.9374 110.708 63.3253 89.9489 44.0227 174.267 -239.64 PRESSAVG: 3597000 30.0702 12.9875 5.06562 12.9875 6.7626 15.4738 5.06555 15.4739 -70.9506 GPRESSAVG: 3597000 29.38 15.3227 6.07971 13.6807 7.50548 15.0708 2.00637 15.1704 -70.8364 TIMING: 3597000 CPU: 10703.3, 0.00296096/step Wall: 10703.3, 0.00296096/step, 1.15395 hours remaining, 207.554688 MB of memory in use. ENERGY: 3597000 744.5827 2100.0053 1953.8633 114.2785 -205923.7642 17574.7756 0.0000 0.0000 34418.7626 -149017.4961 300.5876 -183436.2587 -148923.5225 299.8745 -151.8949 -116.5531 558313.0332 -11.3726 -11.3170 PRESSURE: 3597200 235.374 -61.6706 -159.104 -61.6703 169.082 20.0983 -159.104 20.0989 115.245 GPRESSURE: 3597200 326.381 -67.8157 -65.7876 -94.5647 150.47 -16.1262 -162.358 -29.9402 138.694 PRESSAVG: 3597200 21.0725 3.76877 -9.60033 3.7688 37.1666 11.9201 -9.60025 11.9201 -50.7508 GPRESSAVG: 3597200 21.31 4.28142 -9.64379 2.32259 37.0465 13.369 -8.90097 10.3833 -50.7082 TIMING: 3597200 CPU: 10703.9, 0.00296102/step Wall: 10703.9, 0.00296102/step, 1.15381 hours remaining, 207.554688 MB of memory in use. ENERGY: 3597200 786.5924 2105.6533 1957.1444 116.7352 -206726.6791 18328.6766 0.0000 0.0000 34375.7203 -149056.1568 300.2117 -183431.8771 -148960.9927 299.8912 173.2339 205.1817 557762.3286 2.4961 2.5495 PRESSURE: 3597400 -46.2692 -251.909 129.208 -251.909 101.149 -63.2156 129.208 -63.2158 91.2945 GPRESSURE: 3597400 -63.8596 -256.687 10.5713 -245.67 130.982 -59.8773 71.134 -29.8024 181.584 PRESSAVG: 3597400 59.9594 -8.66251 -6.09786 -8.66247 36.2607 11.5306 -6.09778 11.5304 -80.5383 GPRESSAVG: 3597400 59.1784 -12.9349 -6.06431 -6.87593 36.5724 11.4571 -4.92476 13.0547 -79.9687 TIMING: 3597400 CPU: 10704.5, 0.00294161/step Wall: 10704.5, 0.00294161/step, 1.14609 hours remaining, 207.554688 MB of memory in use. ENERGY: 3597400 771.6266 2086.2615 1947.1815 104.0966 -206042.3559 17850.9939 0.0000 0.0000 34205.5909 -149076.6051 298.7259 -183282.1959 -148983.1236 299.3603 48.7247 82.9021 557031.5259 5.2273 5.2607 PRESSURE: 3597600 48.9587 10.6484 -34.2641 10.6472 -37.9231 -41.3135 -34.263 -41.313 -117.751 GPRESSURE: 3597600 87.341 -28.964 34.0449 125.561 22.3796 6.35518 -55.8174 -24.3152 -132.981 PRESSAVG: 3597600 13.8139 8.34512 -22.2451 8.34501 9.0864 -35.6183 -22.2451 -35.6183 -28.4064 GPRESSAVG: 3597600 15.0203 11.8826 -21.9212 5.99827 7.67965 -36.3034 -21.7038 -36.1113 -28.6481 TIMING: 3597600 CPU: 10705.1, 0.00295706/step Wall: 10705.1, 0.00295706/step, 1.15194 hours remaining, 207.554688 MB of memory in use. ENERGY: 3597600 763.6882 2099.6545 1931.0195 123.4529 -206204.6162 17776.6429 0.0000 0.0000 34397.0682 -149113.0899 300.3982 -183510.1581 -149018.8437 299.3927 -35.5717 -7.7535 556847.8871 -1.8354 -1.9827 PRESSURE: 3597800 -84.3206 33.5903 -89.8042 33.5898 -31.6428 125.505 -89.8032 125.505 -75.1624 GPRESSURE: 3597800 -54.7556 -19.1746 -56.0868 60.4489 -25.1644 153.692 -122.968 64.5951 -18.8238 PRESSAVG: 3597800 18.3676 -27.287 7.78994 -27.287 67.0103 -15.9998 7.79 -15.9998 -8.23378 GPRESSAVG: 3597800 17.9748 -28.6309 8.1876 -25.3399 68.3747 -16.669 7.13204 -14.6041 -9.40167 TIMING: 3597800 CPU: 10705.7, 0.00293983/step Wall: 10705.7, 0.00293983/step, 1.14506 hours remaining, 207.554688 MB of memory in use. ENERGY: 3597800 757.0735 2098.4209 1929.8767 116.0270 -205862.9539 17595.4531 0.0000 0.0000 34294.6673 -149071.4353 299.5039 -183366.1027 -148971.7514 299.0888 -63.7086 -32.9146 557122.2612 25.7147 25.6493 PRESSURE: 3598000 -369.487 -202.034 80.015 -202.035 15.5108 -264.306 80.0152 -264.307 -40.268 GPRESSURE: 3598000 -338.475 -220.205 38.4065 -138.132 67.4331 -269.386 130.626 -287.199 -33.7334 PRESSAVG: 3598000 22.1465 -3.27106 37.7844 -3.27098 -6.47772 13.1076 37.7845 13.1077 29.2249 GPRESSAVG: 3598000 21.7019 -0.875669 36.6374 -4.07646 -7.0278 13.9877 37.4022 11.6917 30.5587 TIMING: 3598000 CPU: 10706.3, 0.00295115/step Wall: 10706.3, 0.00295115/step, 1.14931 hours remaining, 207.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3598000 760.8634 2141.6279 1969.4011 120.9886 -206110.0540 17576.8902 0.0000 0.0000 34438.0186 -149102.2641 300.7558 -183540.2828 -149002.3965 299.7940 -131.4148 -101.5919 556779.7011 14.9646 15.0776 PRESSURE: 3598200 -132.342 171.485 93.5759 171.484 35.1654 97.1689 93.5758 97.1663 -180.21 GPRESSURE: 3598200 -42.3413 86.6284 136.215 205.171 -10.2468 -66.9638 -5.69688 156.325 -120.847 PRESSAVG: 3598200 -80.1527 -8.13408 13.4197 -8.1341 90.3155 -7.03936 13.4197 -7.03941 2.06875 GPRESSAVG: 3598200 -79.3798 -10.5158 14.9769 -9.00562 89.862 -7.97372 14.1269 -5.10371 1.67882 TIMING: 3598200 CPU: 10706.9, 0.00296891/step Wall: 10706.9, 0.00296891/step, 1.15606 hours remaining, 207.554688 MB of memory in use. ENERGY: 3598200 800.5048 2084.8726 1944.1908 119.8943 -206219.6536 17743.4037 0.0000 0.0000 34253.2505 -149273.5368 299.1422 -183526.7874 -149179.2804 299.2633 -92.4621 -57.8116 557287.1320 4.0772 4.0537 PRESSURE: 3598400 16.4147 -37.6131 60.0373 -37.6126 40.9847 -39.3349 60.0367 -39.3345 -336.027 GPRESSURE: 3598400 18.1649 -42.545 -5.42949 -76.3329 45.3983 18.5374 160.663 -0.966942 -256.536 PRESSAVG: 3598400 -22.2413 81.7223 21.8235 81.7223 55.1294 -0.12668 21.8234 -0.126602 -17.9034 GPRESSAVG: 3598400 -20.7687 83.0904 20.153 83.3931 54.4225 -0.342084 22.4838 -1.89473 -18.6517 TIMING: 3598400 CPU: 10707.5, 0.00292801/step Wall: 10707.5, 0.00292801/step, 1.13997 hours remaining, 207.554688 MB of memory in use. ENERGY: 3598400 793.9445 2050.0891 1946.9384 132.7325 -206047.2877 17683.3559 0.0000 0.0000 34263.7744 -149176.4529 299.2341 -183440.2273 -149076.4581 299.0682 -92.8758 -64.3243 557573.5098 4.9949 5.0007 PRESSURE: 3598600 -167.528 13.632 -303.703 13.6302 53.0921 -2.31751 -303.704 -2.31806 -73.1253 GPRESSURE: 3598600 -64.2326 -37.465 -303.963 32.7298 89.9292 -17.0882 -184.648 -57.3224 -123.744 PRESSAVG: 3598600 -42.3161 26.4783 -6.22081 26.4782 -7.90937 3.49095 -6.2208 3.49086 70.4255 GPRESSAVG: 3598600 -43.1144 26.6757 -4.55828 24.4428 -7.2534 4.07256 -6.32915 2.75537 70.5015 TIMING: 3598600 CPU: 10708.1, 0.00295315/step Wall: 10708.1, 0.00295315/step, 1.1496 hours remaining, 207.554688 MB of memory in use. ENERGY: 3598600 791.2105 2077.3922 1935.4597 115.7800 -206168.0530 17796.0135 0.0000 0.0000 34273.4349 -149178.7622 299.3184 -183452.1971 -149084.2712 299.1884 -62.5204 -32.6825 557666.7866 6.7333 6.7112 PRESSURE: 3598800 164.012 -35.9419 2.97693 -35.9424 114.45 -140.494 2.97589 -140.494 33.7731 GPRESSURE: 3598800 186.123 -167.919 5.41673 -20.7759 133.416 -78.9931 41.1616 -92.019 88.4347 PRESSAVG: 3598800 -5.27256 -9.457 -13.4465 -9.45702 -16.2479 -9.29859 -13.4466 -9.29861 15.3561 GPRESSAVG: 3598800 -5.84365 -11.307 -13.7767 -9.07647 -16.5782 -10.295 -14.4306 -6.3456 16.161 TIMING: 3598800 CPU: 10708.6, 0.00294866/step Wall: 10708.6, 0.00294866/step, 1.14769 hours remaining, 207.554688 MB of memory in use. ENERGY: 3598800 779.9842 2079.2372 1920.4286 120.7386 -206218.0719 17870.8176 0.0000 0.0000 34209.8525 -149237.0131 298.7632 -183446.8656 -149155.7318 299.0281 104.0785 135.9914 556603.0152 -2.0548 -2.0870 PRESSURE: 3599000 -89.7845 -74.7182 -93.5606 -74.7196 39.1478 45.1711 -93.5608 45.1715 -36.4393 GPRESSURE: 3599000 -32.0607 -49.8699 -67.4078 -70.7608 62.3475 35.0347 -118.977 103.965 -15.6809 PRESSAVG: 3599000 -51.3998 -24.1324 -46.3845 -24.1324 62.6959 22.2121 -46.3845 22.2122 -18.5837 GPRESSAVG: 3599000 -51.7465 -21.4417 -46.5026 -24.1761 62.9142 22.9471 -47.6283 20.1754 -19.0473 TIMING: 3599000 CPU: 10709.2, 0.00292314/step Wall: 10709.2, 0.00292314/step, 1.13759 hours remaining, 207.554688 MB of memory in use. ENERGY: 3599000 749.0823 2099.5574 1936.9575 113.9410 -206126.1042 17819.4279 0.0000 0.0000 34215.2873 -149191.8507 298.8106 -183407.1381 -149095.9707 299.4900 -29.0253 4.8686 557198.2537 -2.4292 -2.6265 PRESSURE: 3599200 -93.4144 82.0708 -76.7123 82.0711 113.585 -101.584 -76.7123 -101.583 148.17 GPRESSURE: 3599200 -51.0776 27.7334 -5.3935 146.425 151.914 -69.0386 -16.1407 -76.7917 168.263 PRESSAVG: 3599200 -34.893 -17.5656 -63.4125 -17.5657 79.1275 -20.5323 -63.4126 -20.5323 -15.6938 GPRESSAVG: 3599200 -34.6237 -19.9788 -65.5063 -15.5351 78.0966 -19.3761 -61.0645 -19.4641 -15.1414 TIMING: 3599200 CPU: 10709.8, 0.00293392/step Wall: 10709.8, 0.00293392/step, 1.14162 hours remaining, 207.562500 MB of memory in use. ENERGY: 3599200 724.2450 2116.8369 1933.2166 108.2695 -206210.3703 18050.5198 0.0000 0.0000 34257.1666 -149020.1158 299.1764 -183277.2824 -148921.5906 299.7552 56.1136 89.6997 558794.7544 9.5136 9.4439 PRESSURE: 3599400 254.821 54.7985 -123.195 54.7974 77.902 -76.6775 -123.195 -76.6776 199.496 GPRESSURE: 3599400 273.775 13.7688 18.6851 42.9049 122.715 -89.1226 -208.992 -57.4142 218.791 PRESSAVG: 3599400 -35.8894 53.8225 -45.4698 53.8224 30.1555 -37.2279 -45.4698 -37.2279 13.0885 GPRESSAVG: 3599400 -37.1984 54.1268 -42.2212 51.7452 31.1819 -38.2123 -48.934 -40.0653 13.4882 TIMING: 3599400 CPU: 10710.4, 0.0029267/step Wall: 10710.4, 0.0029267/step, 1.13865 hours remaining, 207.562500 MB of memory in use. ENERGY: 3599400 739.1807 2122.5986 1951.1306 103.3450 -206276.7599 18009.6785 0.0000 0.0000 34321.1796 -149029.6468 299.7354 -183350.8265 -148940.3590 300.0211 177.4066 205.0939 557307.9973 2.4515 2.4906 PRESSURE: 3599600 -67.2946 -68.2687 -32.7309 -68.2684 84.8348 -86.7133 -32.7304 -86.7109 196.682 GPRESSURE: 3599600 -7.80163 -116.301 19.5959 -66.7675 127.81 -115.024 -67.843 -139.825 205.466 PRESSAVG: 3599600 -3.10684 7.77269 -67.1718 7.77271 -11.3861 -47.3392 -67.1719 -47.3393 -14.4756 GPRESSAVG: 3599600 -3.04345 8.91224 -69.1799 8.70643 -11.3919 -47.4934 -64.8044 -47.2371 -14.395 TIMING: 3599600 CPU: 10711, 0.00291438/step Wall: 10711, 0.00291437/step, 1.13369 hours remaining, 207.562500 MB of memory in use. ENERGY: 3599600 767.3829 2084.5391 1979.1609 114.7544 -206390.9472 18104.7767 0.0000 0.0000 34240.1438 -149100.1894 299.0277 -183340.3332 -149000.2538 299.6904 71.4073 108.4917 557849.5987 -9.6562 -9.6101 PRESSURE: 3599800 -269.415 79.1962 -128.426 79.1954 -290.702 88.0322 -128.426 88.0336 -88.8198 GPRESSURE: 3599800 -213.16 92.2185 -118.668 95.1156 -264.604 -30.6956 -138.222 121.654 -68.4995 PRESSAVG: 3599800 79.3281 38.5903 -27.4446 38.5902 -44.2567 14.4567 -27.4446 14.4567 29.7095 GPRESSAVG: 3599800 79.9339 41.2676 -27.689 35.7677 -44.421 14.5983 -28.6337 16.9163 29.6313 TIMING: 3599800 CPU: 10711.6, 0.00290618/step Wall: 10711.6, 0.00290618/step, 1.13034 hours remaining, 207.562500 MB of memory in use. ENERGY: 3599800 761.3584 2086.4803 1960.1013 107.4506 -206120.4520 17538.3033 0.0000 0.0000 34386.1553 -149280.6027 300.3028 -183666.7580 -149184.2907 300.2284 -216.3123 -182.0875 557172.6650 21.5936 21.7147 PRESSURE: 3600000 -51.7733 -98.5497 -35.1971 -98.5502 22.5365 -63.6808 -35.1964 -63.6813 -63.5046 GPRESSURE: 3600000 -83.3828 -88.6153 8.61849 -112.648 106.583 -28.7 -43.2345 -180.291 -29.4522 PRESSAVG: 3600000 0.544969 -24.9889 -2.18756 -24.989 -1.06444 22.1542 -2.18756 22.1541 24.9339 GPRESSAVG: 3600000 -0.291063 -28.8406 0.37503 -21.6092 -0.445126 23.5742 -2.56836 19.6452 25.6464 TIMING: 3600000 CPU: 10712.1, 0.00292553/step Wall: 10712.1, 0.00292553/step, 1.13771 hours remaining, 207.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3600000 780.6835 2081.3136 1965.1580 117.9042 -206558.0092 17963.5726 0.0000 0.0000 34207.5496 -149441.8276 298.7430 -183649.3772 -149343.8407 298.9249 -30.9138 -2.0841 556420.7589 8.1381 8.3034 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3600000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 3600000 WRITING COORDINATES TO RESTART FILE AT STEP 3600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3600200 -301.327 -308.881 146.12 -308.881 -45.7167 36.0962 146.12 36.0953 133.455 GPRESSURE: 3600200 -214.474 -312.008 90.1158 -302.852 -25.7562 118.664 159.943 7.61967 114.898 PRESSAVG: 3600200 21.4646 -14.2865 67.8026 -14.2865 53.8106 17.1747 67.8025 17.1747 -55.3524 GPRESSAVG: 3600200 22.0455 -13.0006 66.2694 -12.2117 53.1607 14.9293 67.9262 19.2245 -55.7011 TIMING: 3600200 CPU: 10712.8, 0.00301971/step Wall: 10712.8, 0.00301971/step, 1.17417 hours remaining, 207.562500 MB of memory in use. ENERGY: 3600200 754.1183 2071.7199 1941.7616 110.3830 -206390.6956 17791.5695 0.0000 0.0000 34121.5933 -149599.5501 297.9924 -183721.1433 -149500.8841 298.7957 -71.1961 -41.7775 556324.7018 6.6409 6.5017 LDB: ============= START OF LOAD BALANCING ============== 10716.3 LDB: ============== END OF LOAD BALANCING =============== 10716.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10716.3 LDB: ============= START OF LOAD BALANCING ============== 10716.6 LDB: Largest compute 4802 load 0.026151 is 22.1% of average load 0.118285 LDB: Average compute 0.001738 is 1.5% of average load 0.118285 LDB: TIME 10716.6 LOAD: AVG 0.118285 MAX 0.19822 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 10716.6 LOAD: AVG 0.118285 MAX 0.19822 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: TIME 10716.6 LOAD: AVG 0.118285 MAX 0.19822 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: ============== END OF LOAD BALANCING =============== 10716.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10716.6 PRESSURE: 3600400 -145.543 -119.07 57.249 -119.069 54.1249 -93.7803 57.2475 -93.7791 263.152 GPRESSURE: 3600400 -85.7507 -114.156 23.7576 -108.629 79.322 46.8646 -36.1983 -170.718 276.7 PRESSAVG: 3600400 57.0019 2.6352 11.6864 2.63511 -11.2631 14.4521 11.6865 14.4522 -46.0422 GPRESSAVG: 3600400 57.1056 1.72091 9.66069 1.3874 -11.5519 15.5095 13.0782 13.3358 -45.825 TIMING: 3600400 CPU: 10713.3, 0.00299234/step Wall: 10713.3, 0.00299234/step, 1.16335 hours remaining, 207.253906 MB of memory in use. ENERGY: 3600400 704.1297 2128.9372 1955.9230 126.7321 -206257.5003 17758.0431 0.0000 0.0000 33951.2166 -149632.5186 296.5044 -183583.7352 -149537.0243 298.0294 57.2444 90.0905 556238.3560 -0.1012 -0.0904 PRESSURE: 3600600 81.2936 -79.8591 -143.594 -79.8588 -113.692 -80.2352 -143.595 -80.2359 -216.495 GPRESSURE: 3600600 70.4516 -7.83722 -176.281 -145.469 -57.8555 -91.2582 -98.076 -5.10003 -162.483 PRESSAVG: 3600600 62.2588 37.7462 -40.326 37.7462 -28.9916 3.65038 -40.326 3.65027 -11.1236 GPRESSAVG: 3600600 61.8327 39.753 -40.4446 37.9951 -29.1619 4.44652 -39.5481 2.63333 -10.5357 TIMING: 3600600 CPU: 10713.9, 0.00294798/step Wall: 10713.9, 0.00294798/step, 1.14595 hours remaining, 207.496094 MB of memory in use. ENERGY: 3600600 739.2260 2068.9969 1941.4272 120.0180 -206165.8032 17640.4651 0.0000 0.0000 33905.1904 -149750.4795 296.1025 -183655.6699 -149660.5397 297.6754 -82.9645 -49.9623 555673.8711 7.3812 7.3784 PRESSURE: 3600800 -141.496 -14.4277 16.7804 -14.4286 9.24925 -55.24 16.779 -55.2389 316.415 GPRESSURE: 3600800 -105.588 -17.1494 43.2676 41.8896 23.7281 -92.788 31.1307 -152.034 367.775 PRESSAVG: 3600800 55.1549 33.9197 -61.4246 33.9197 -12.5339 21.1432 -61.4246 21.143 -13.0387 GPRESSAVG: 3600800 55.1836 30.8252 -59.2409 32.5742 -12.6849 20.2283 -63.5426 22.2894 -13.2857 TIMING: 3600800 CPU: 10714.5, 0.00293699/step Wall: 10714.5, 0.00293699/step, 1.14151 hours remaining, 207.496094 MB of memory in use. ENERGY: 3600800 747.0384 2099.3903 1951.6107 126.4911 -206558.9921 17897.9923 0.0000 0.0000 34094.0395 -149642.4299 297.7517 -183736.4694 -149548.2254 297.6809 61.3895 95.3051 555962.2854 9.8608 9.7377 PRESSURE: 3601000 59.837 -32.1727 -92.2063 -32.1731 109.466 -63.1017 -92.2067 -63.1018 -181.987 GPRESSURE: 3601000 109.135 -70.2672 5.01554 17.7101 99.9531 -66.5466 -169.188 -35.5092 -125.304 PRESSAVG: 3601000 16.107 53.9748 12.3234 53.9748 -27.9237 -35.378 12.3233 -35.3781 70.9576 GPRESSAVG: 3601000 16.0825 55.3467 10.9732 54.1972 -28.5223 -37.3311 12.7871 -33.7503 70.8657 TIMING: 3601000 CPU: 10715.1, 0.00294893/step Wall: 10715.1, 0.00294893/step, 1.14599 hours remaining, 207.496094 MB of memory in use. ENERGY: 3601000 724.1741 2092.6056 1924.1755 125.6299 -206302.2755 17813.9046 0.0000 0.0000 33949.4987 -149672.2870 296.4894 -183621.7857 -149574.1446 297.6536 -4.2281 27.9280 556703.9770 19.7136 19.4753 PRESSURE: 3601200 -62.9632 -32.4339 39.9823 -32.4335 -82.4222 -136.637 39.982 -136.639 122.296 GPRESSURE: 3601200 -47.6309 -91.794 12.5768 20.7689 4.27022 -114.856 61.0232 -115.844 125.79 PRESSAVG: 3601200 32.8659 -11.5697 3.79479 -11.5697 -70.7122 -20.646 3.79485 -20.6461 75.2332 GPRESSAVG: 3601200 33.7308 -12.2557 5.7479 -12.3784 -69.7221 -19.7789 2.23086 -19.6858 73.6067 TIMING: 3601200 CPU: 10715.7, 0.00297152/step Wall: 10715.7, 0.00297152/step, 1.1546 hours remaining, 207.496094 MB of memory in use. ENERGY: 3601200 767.2012 2104.3594 1933.6515 118.9577 -206458.1495 17835.4812 0.0000 0.0000 34095.8872 -149602.6111 297.7679 -183698.4983 -149513.2898 298.2185 -7.6966 27.4765 556063.4196 12.4623 12.5385 PRESSURE: 3601400 -187.474 -53.4595 116.685 -53.4603 -14.4802 -109.353 116.684 -109.354 33.1625 GPRESSURE: 3601400 -128.734 -4.21017 120.619 -43.8428 52.6064 -113.751 167.846 -48.8189 5.5345 PRESSAVG: 3601400 -11.2262 -6.51353 49.7586 -6.51364 -28.5845 -52.3699 49.7586 -52.3699 -32.2446 GPRESSAVG: 3601400 -11.0438 -5.69801 47.438 -7.00126 -29.2449 -52.4837 52.1215 -54.0377 -31.9796 TIMING: 3601400 CPU: 10716.3, 0.00298541/step Wall: 10716.3, 0.00298541/step, 1.15983 hours remaining, 207.496094 MB of memory in use. ENERGY: 3601400 734.6560 2044.5884 1924.4057 112.4013 -206170.1624 17670.7892 0.0000 0.0000 34003.8030 -149679.5188 296.9637 -183683.3218 -149582.7097 297.7098 -56.2637 -23.5309 555955.1052 -24.0184 -24.0894 PRESSURE: 3601600 30.6078 -53.9968 -204.056 -53.9964 95.9523 -155.567 -204.057 -155.568 -103.856 GPRESSURE: 3601600 96.4835 -94.792 -187.398 -111.928 113.018 -146.993 -194.799 -204.597 -97.0043 PRESSAVG: 3601600 21.8236 0.4864 -3.70854 0.486432 -21.8271 -63.0434 -3.70856 -63.0435 20.7062 GPRESSAVG: 3601600 21.329 -1.21598 -4.102 0.593904 -21.7832 -60.8063 -5.35225 -64.1531 21.1913 TIMING: 3601600 CPU: 10716.9, 0.00296251/step Wall: 10716.9, 0.00296251/step, 1.15077 hours remaining, 207.496094 MB of memory in use. ENERGY: 3601600 734.5632 2100.4058 1936.7443 100.9064 -206275.8818 17717.8988 0.0000 0.0000 34260.5319 -149424.8314 299.2057 -183685.3633 -149325.6886 298.8737 7.5679 37.4990 555642.9854 6.9009 6.9124 PRESSURE: 3601800 -12.2623 89.5087 5.65244 89.5091 -144.318 172.983 5.65257 172.984 34.408 GPRESSURE: 3601800 59.7587 78.7056 -85.5795 5.46848 -172.645 232.97 15.6521 59.7182 87.963 PRESSAVG: 3601800 35.1509 -24.108 36.127 -24.108 -5.28407 -68.8059 36.127 -68.806 -3.08166 GPRESSAVG: 3601800 35.9699 -24.4238 37.6215 -23.3737 -5.13636 -69.7402 38.9265 -68.5069 -4.10002 TIMING: 3601800 CPU: 10717.5, 0.00295541/step Wall: 10717.5, 0.00295541/step, 1.14785 hours remaining, 207.496094 MB of memory in use. ENERGY: 3601800 757.1452 2102.9597 1945.2550 112.9360 -206307.6736 17843.0704 0.0000 0.0000 34212.8293 -149333.4781 298.7891 -183546.3074 -149243.8363 299.6190 -40.7239 -8.3076 555924.0272 8.9284 8.9112 PRESSURE: 3602000 221.807 19.2837 30.2965 19.284 138.891 15.6085 30.2979 15.6088 1.15089 GPRESSURE: 3602000 204.738 -17.9309 23.0219 41.0964 189.15 -31.7397 6.55103 78.3505 56.0605 PRESSAVG: 3602000 -24.8407 -35.9529 1.92065 -35.9528 31.0898 -8.12634 1.92058 -8.12636 -48.3782 GPRESSAVG: 3602000 -26.4208 -33.4676 0.945252 -35.7227 32.2144 -9.48264 2.11096 -7.49234 -47.5075 TIMING: 3602000 CPU: 10718.1, 0.00297012/step Wall: 10718.1, 0.00297012/step, 1.1534 hours remaining, 207.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3602000 736.5116 2083.8707 1938.0341 108.7928 -206531.0741 17903.0467 0.0000 0.0000 34438.0551 -149322.7632 300.7561 -183760.8183 -149227.4341 299.3670 120.6165 149.9829 555111.9082 -14.0430 -13.9047 PRESSURE: 3602200 -70.8325 19.3283 -112.525 19.3276 -181.423 -149.476 -112.525 -149.477 59.3602 GPRESSURE: 3602200 -18.077 60.8049 -27.1048 -30.1147 -182.828 -215.38 -152.046 -154.281 96.5745 PRESSAVG: 3602200 77.6621 -23.69 -32.2731 -23.69 -33.0667 -40.0014 -32.2731 -40.0013 -10.9455 GPRESSAVG: 3602200 78.4485 -25.486 -31.7021 -22.6882 -34.2264 -39.5204 -34.0609 -41.7907 -10.8629 TIMING: 3602200 CPU: 10718.7, 0.00298258/step Wall: 10718.7, 0.00298258/step, 1.15807 hours remaining, 207.496094 MB of memory in use. ENERGY: 3602200 744.1574 2067.2807 1947.1648 115.1039 -206027.0500 17628.2074 0.0000 0.0000 34115.8049 -149409.3310 297.9418 -183525.1359 -149311.0293 299.2500 -64.2983 -34.7769 556378.7591 11.2166 11.1198 PRESSURE: 3602400 -204.845 102.699 88.6912 102.7 -179.089 149.859 88.6903 149.859 -315.549 GPRESSURE: 3602400 -144.141 120.047 112.185 130.224 -155.939 169.431 41.0654 46.7658 -294.976 PRESSAVG: 3602400 28.3645 0.00228174 12.4259 0.00228902 -5.13751 -29.3689 12.4259 -29.3689 -23.1303 GPRESSAVG: 3602400 29.1894 0.985506 12.9353 -1.99851 -5.1747 -29.379 12.2399 -27.7905 -23.394 TIMING: 3602400 CPU: 10719.3, 0.00295687/step Wall: 10719.3, 0.00295687/step, 1.14792 hours remaining, 207.496094 MB of memory in use. ENERGY: 3602400 736.8046 2098.6444 1934.7820 96.8093 -206039.8337 17477.3962 0.0000 0.0000 34183.9252 -149511.4720 298.5367 -183695.3972 -149415.5106 299.3045 -233.1611 -198.3521 557937.1633 0.0322 0.2069 PRESSURE: 3602600 -90.823 -18.7058 131.846 -18.706 -58.1868 85.1359 131.846 85.1361 11.8406 GPRESSURE: 3602600 19.0401 15.61 70.0431 -0.0260162 -17.698 37.0832 145.646 150.687 -31.9624 PRESSAVG: 3602600 25.7459 4.33649 -49.0406 4.33648 -53.717 6.00828 -49.0406 6.00843 26.3247 GPRESSAVG: 3602600 24.3631 4.21276 -47.2072 5.83486 -53.0014 5.57287 -50.604 6.45523 27.8276 TIMING: 3602600 CPU: 10719.9, 0.00296117/step Wall: 10719.9, 0.00296117/step, 1.14943 hours remaining, 207.496094 MB of memory in use. ENERGY: 3602600 753.5204 2079.2402 1949.1008 122.6374 -205986.5986 17777.5909 0.0000 0.0000 34093.7671 -149210.7418 297.7493 -183304.5089 -149112.6941 299.0390 -45.7231 -10.2067 557147.6792 -0.5488 -0.2702 PRESSURE: 3602800 182.883 -18.2684 -41.9464 -18.2689 179.009 -126.421 -41.9476 -126.421 -39.5263 GPRESSURE: 3602800 205.975 14.7766 -115.425 2.033 236.435 -31.3729 -39.3634 -88.4866 -10.4296 PRESSAVG: 3602800 29.9957 4.77197 27.9461 4.77197 14.7855 -22.0718 27.9461 -22.0719 -7.24379 GPRESSAVG: 3602800 31.2201 2.77587 23.6362 6.48052 13.9853 -20.7164 30.8998 -22.3054 -7.58192 TIMING: 3602800 CPU: 10720.5, 0.00294154/step Wall: 10720.5, 0.00294154/step, 1.14164 hours remaining, 207.496094 MB of memory in use. ENERGY: 3602800 738.1825 2082.6300 1951.5837 118.6547 -206541.0178 18150.5942 0.0000 0.0000 34137.7623 -149361.6105 298.1336 -183499.3728 -149267.4654 298.5786 107.4550 143.9933 557644.4818 12.5125 12.5412 PRESSURE: 3603000 8.56888 106.922 -126.15 106.922 -188.711 38.8409 -126.151 38.8415 -43.9107 GPRESSURE: 3603000 48.0878 56.0312 -139.652 48.3384 -173.539 18.4757 -85.6653 -29.9895 -11.7078 PRESSAVG: 3603000 -36.2336 2.18297 0.62581 2.18297 -23.342 -5.38881 0.625905 -5.38877 16.0319 GPRESSAVG: 3603000 -35.1844 5.21082 1.54027 1.19468 -23.2197 -5.1788 -1.6926 -4.78852 15.411 TIMING: 3603000 CPU: 10721, 0.00295157/step Wall: 10721, 0.00295157/step, 1.14537 hours remaining, 207.496094 MB of memory in use. ENERGY: 3603000 765.5949 2018.6663 1924.3120 114.1710 -205857.3413 17741.4915 0.0000 0.0000 34112.2753 -149180.8303 297.9110 -183293.1056 -149083.9115 298.6087 -74.6841 -45.7198 558089.0663 -14.5146 -14.3310 PRESSURE: 3603200 -152.188 -73.5213 -5.35014 -73.5212 -354.333 -80.9682 -5.34906 -80.969 -23.0716 GPRESSURE: 3603200 -124.796 -97.8739 14.1582 -78.3758 -351.258 -56.8551 -40.6122 -131.409 47.7561 PRESSAVG: 3603200 -5.73809 10.5162 -51.1473 10.5163 -31.0798 -13.2598 -51.1473 -13.2598 77.8635 GPRESSAVG: 3603200 -5.84215 7.11001 -48.5939 11.0669 -30.5196 -13.6931 -50.664 -14.5828 77.2396 TIMING: 3603200 CPU: 10721.6, 0.00294347/step Wall: 10721.6, 0.00294347/step, 1.14207 hours remaining, 207.496094 MB of memory in use. ENERGY: 3603200 761.9158 2143.7619 1940.8363 111.8004 -206135.9094 17769.4738 0.0000 0.0000 34235.4734 -149172.6478 298.9869 -183408.1212 -149073.5543 299.7538 -176.5310 -142.7659 559336.7000 13.6819 13.6259 PRESSURE: 3603400 -72.4369 -90.8955 -53.4787 -90.8956 -29.4419 -34.63 -53.4776 -34.6295 -137.6 GPRESSURE: 3603400 -41.4303 -32.6352 -19.373 -119.557 -38.1889 10.9226 -68.4162 2.42965 -63.7324 PRESSAVG: 3603400 -57.8584 -68.0076 -29.2623 -68.0076 -18.636 -0.868984 -29.2622 -0.869024 19.7587 GPRESSAVG: 3603400 -59.063 -66.2278 -32.9827 -68.983 -18.3393 -0.265159 -27.0415 0.23021 20.3702 TIMING: 3603400 CPU: 10722.2, 0.00294303/step Wall: 10722.2, 0.00294303/step, 1.14173 hours remaining, 207.496094 MB of memory in use. ENERGY: 3603400 752.9101 2095.8613 1929.8007 119.2579 -206262.1318 17924.1051 0.0000 0.0000 34231.9951 -149208.2015 298.9565 -183440.1966 -149112.6964 299.1069 -79.8262 -47.7839 558378.4562 -18.9119 -19.0107 PRESSURE: 3603600 157.221 -124.603 61.6567 -124.603 79.4472 -35.0916 61.6568 -35.0929 -187.087 GPRESSURE: 3603600 175.745 -27.0955 87.5128 -207.622 94.3038 -21.5801 25.975 -27.9919 -120.87 PRESSAVG: 3603600 -60.2985 -30.8211 9.31827 -30.8211 61.873 28.6889 9.31826 28.6888 -8.84727 GPRESSAVG: 3603600 -59.5324 -30.0492 13.5178 -31.8619 60.2756 28.3178 6.5852 28.052 -8.48582 TIMING: 3603600 CPU: 10722.8, 0.00293887/step Wall: 10722.8, 0.00293887/step, 1.13996 hours remaining, 207.496094 MB of memory in use. ENERGY: 3603600 750.8221 2031.5484 1950.5085 117.9936 -206702.9021 17955.0895 0.0000 0.0000 34638.4620 -149258.4781 302.5063 -183896.9401 -149154.3825 299.3518 16.5272 49.7262 556964.7419 -2.4243 -2.5809 PRESSURE: 3603800 -125.619 35.1763 -120.61 35.1778 92.5761 20.9452 -120.609 20.9465 30.6769 GPRESSURE: 3603800 -85.5745 47.1219 -77.6918 31.4428 87.2455 8.22465 -57.8457 13.7354 94.2461 PRESSAVG: 3603800 -20.3264 8.25004 -20.2006 8.25012 31.4648 13.7957 -20.2006 13.7957 -0.568662 GPRESSAVG: 3603800 -20.7698 7.22313 -24.1782 9.48727 31.961 13.382 -16.9058 13.36 -0.698369 TIMING: 3603800 CPU: 10723.4, 0.00294896/step Wall: 10723.4, 0.00294896/step, 1.1437 hours remaining, 207.496094 MB of memory in use. ENERGY: 3603800 761.1746 2064.6367 1910.3434 118.1622 -206160.1559 17967.0210 0.0000 0.0000 34114.4616 -149224.3564 297.9301 -183338.8180 -149129.2442 299.0490 -0.7886 31.9724 558763.8009 3.5233 3.4976 PRESSURE: 3604000 -58.3245 112.96 -35.1513 112.961 29.7785 -5.83886 -35.15 -5.83859 -151.898 GPRESSURE: 3604000 -7.77429 61.7934 -39.5528 130.026 53.7507 55.0726 9.0749 33.667 -121.551 PRESSAVG: 3604000 -17.0244 34.625 -27.9499 34.6249 -27.5741 -20.0577 -27.95 -20.0578 22.4505 GPRESSAVG: 3604000 -16.8231 34.9454 -27.3831 32.2836 -28.7276 -20.1962 -30.2233 -18.8562 23.1073 TIMING: 3604000 CPU: 10724, 0.00292209/step Wall: 10724, 0.00292209/step, 1.13312 hours remaining, 207.496094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3604000 762.6033 2072.2591 1944.0544 104.3950 -206060.0701 17787.7839 0.0000 0.0000 34053.0408 -149335.9336 297.3937 -183388.9744 -149243.3027 299.2041 -60.1481 -25.1914 558815.1020 -7.3826 -7.4811 PRESSURE: 3604200 -336.952 52.611 46.6135 52.6118 -330.68 14.0923 46.6131 14.0925 39.9225 GPRESSURE: 3604200 -293.286 36.1112 164.339 26.1125 -326.294 -88.7242 2.88456 94.3719 92.0959 PRESSAVG: 3604200 -13.5805 3.37129 -3.45296 3.37129 -68.4858 0.892351 -3.45303 0.89237 74.9669 GPRESSAVG: 3604200 -13.2669 3.80098 -1.93733 5.55609 -68.547 3.03161 -3.5556 1.03133 74.446 TIMING: 3604200 CPU: 10724.6, 0.00292713/step Wall: 10724.6, 0.00292713/step, 1.13491 hours remaining, 207.496094 MB of memory in use. ENERGY: 3604200 756.8597 2083.1672 1917.7307 103.3734 -206088.6356 17442.1220 0.0000 0.0000 34340.7775 -149444.6052 299.9066 -183785.3827 -149344.4296 299.1933 -209.2366 -175.8282 557644.5094 -2.3664 -2.4560 LDB: ============= START OF LOAD BALANCING ============== 10728.1 LDB: ============== END OF LOAD BALANCING =============== 10728.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10728.1 LDB: ============= START OF LOAD BALANCING ============== 10728.4 LDB: Largest compute 4802 load 0.026627 is 22.5% of average load 0.118266 LDB: Average compute 0.001736 is 1.5% of average load 0.118266 LDB: TIME 10728.4 LOAD: AVG 0.118266 MAX 0.195686 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 10728.4 LOAD: AVG 0.118266 MAX 0.195686 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: TIME 10728.4 LOAD: AVG 0.118266 MAX 0.195686 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10728.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10728.4 PRESSURE: 3604400 89.217 161.098 119.779 161.097 -26.3465 -64.8231 119.779 -64.8236 46.3571 GPRESSURE: 3604400 129.689 171.009 75.5429 85.5698 16.2798 -58.365 126.092 -85.752 55.6031 PRESSAVG: 3604400 -57.0325 32.5804 -26.3333 32.5804 62.3358 -11.781 -26.3332 -11.7809 22.5483 GPRESSAVG: 3604400 -57.2075 32.9686 -27.1661 33.1455 63.575 -12.7328 -25.777 -12.2385 22.1 TIMING: 3604400 CPU: 10725.2, 0.00298326/step Wall: 10725.2, 0.00298326/step, 1.15651 hours remaining, 208.535156 MB of memory in use. ENERGY: 3604400 745.0371 2095.6992 1949.7332 116.7028 -206676.3812 17901.2444 0.0000 0.0000 34270.1009 -149597.8637 299.2893 -183867.9646 -149496.5397 298.9618 36.4092 67.1905 555201.5652 9.2839 9.4892 PRESSURE: 3604600 236.785 -34.453 110.582 -34.452 -128.86 97.6676 110.582 97.666 333.182 GPRESSURE: 3604600 229.655 -54.2237 200.7 19.1455 -32.6206 68.5708 42.5887 126.09 352.488 PRESSAVG: 3604600 3.30704 -32.4843 0.883907 -32.4843 -75.4008 69.5016 0.884122 69.5018 36.6563 GPRESSAVG: 3604600 2.34259 -32.0612 2.54256 -31.5523 -76.164 68.4511 1.40109 70.4103 38.3415 TIMING: 3604600 CPU: 10725.8, 0.00294907/step Wall: 10725.8, 0.00294907/step, 1.14309 hours remaining, 208.738281 MB of memory in use. ENERGY: 3604600 784.9331 2103.6615 1928.6126 103.6502 -206582.0066 17977.8042 0.0000 0.0000 34197.0055 -149486.3394 298.6510 -183683.3450 -149391.6351 298.4634 147.0357 183.1740 555887.0851 -11.8125 -11.8266 PRESSURE: 3604800 -254.043 -69.9907 16.6442 -69.9919 -1.25237 -3.49049 16.6454 -3.48966 83.6052 GPRESSURE: 3604800 -179.462 -47.8586 -13.9469 -171.702 28.3611 16.469 -21.0117 -76.9117 77.3889 PRESSAVG: 3604800 10.9375 -2.18314 82.6046 -2.18318 -21.2953 23.1618 82.6046 23.1617 60.5617 GPRESSAVG: 3604800 11.2859 -2.73362 81.2235 -4.32933 -21.6405 24.3978 80.8591 21.1558 60.0265 TIMING: 3604800 CPU: 10726.3, 0.00292683/step Wall: 10726.3, 0.00292683/step, 1.13431 hours remaining, 208.738281 MB of memory in use. ENERGY: 3604800 732.4509 2111.4210 1938.6689 116.0537 -206546.2418 17893.8216 0.0000 0.0000 34200.6855 -149553.1401 298.6831 -183753.8257 -149458.9744 298.4330 -57.2301 -24.5707 556114.3935 16.7346 16.5573 PRESSURE: 3605000 256.321 -90.1488 -146.921 -90.1501 -19.1254 -28.1562 -146.92 -28.1564 -107.942 GPRESSURE: 3605000 259.93 -179.875 -185.923 -62.3048 26.2693 -75.8676 -149.419 -100.991 -74.8222 PRESSAVG: 3605000 -59.4719 -22.9349 -72.7369 -22.9348 -7.58487 2.57917 -72.7369 2.57923 70.618 GPRESSAVG: 3605000 -60.0418 -21.7836 -74.2371 -21.8398 -5.50919 3.20379 -70.5905 2.72341 69.1564 TIMING: 3605000 CPU: 10726.9, 0.0029416/step Wall: 10726.9, 0.0029416/step, 1.13987 hours remaining, 208.738281 MB of memory in use. ENERGY: 3605000 770.6517 2092.5018 1930.1283 121.9765 -206632.9923 17876.3698 0.0000 0.0000 34406.6995 -149434.6648 300.4823 -183841.3643 -149336.4714 298.6973 43.0846 70.4592 555508.4722 1.1871 1.2018 PRESSURE: 3605200 215.526 35.4922 47.8138 35.4924 105.45 -169.722 47.8139 -169.721 -97.2695 GPRESSURE: 3605200 236.953 87.6704 34.7089 55.7755 136.981 -85.7333 10.2975 -133.862 -43.6321 PRESSAVG: 3605200 -44.0514 32.5357 -54.1751 32.5357 24.7315 -17.6047 -54.1751 -17.6046 14.7541 GPRESSAVG: 3605200 -42.5224 30.4944 -52.5607 33.9189 23.2233 -18.2955 -55.4703 -16.9315 15.1683 TIMING: 3605200 CPU: 10727.5, 0.00294455/step Wall: 10727.5, 0.00294455/step, 1.14085 hours remaining, 208.738281 MB of memory in use. ENERGY: 3605200 725.3349 2087.5478 1961.0144 132.8206 -206541.7212 18027.0977 0.0000 0.0000 34253.9939 -149353.9119 299.1486 -183607.9058 -149253.4782 298.6144 74.5688 110.1005 557584.3893 -1.5220 -1.3769 PRESSURE: 3605400 -356.512 -23.7398 -59.1332 -23.7405 310.647 -92.7577 -59.1336 -92.7585 -189.4 GPRESSURE: 3605400 -325.806 75.1901 -22.4233 -36.5946 367.412 -41.7132 -86.4911 -175.595 -172.952 PRESSAVG: 3605400 -59.9959 7.23457 -30.2201 7.23473 48.0476 -36.068 -30.2201 -36.0681 28.2893 GPRESSAVG: 3605400 -62.449 8.71199 -30.685 4.40487 49.7749 -35.8861 -29.1776 -36.4823 29.3274 TIMING: 3605400 CPU: 10728.1, 0.0029436/step Wall: 10728.1, 0.0029436/step, 1.14032 hours remaining, 208.738281 MB of memory in use. ENERGY: 3605400 767.1455 2130.7786 1944.0709 101.5137 -206447.8766 17907.0803 0.0000 0.0000 34123.2167 -149474.0709 298.0065 -183597.2877 -149367.9114 298.1999 -78.4219 -43.7819 558179.6943 5.4470 5.5511 PRESSURE: 3605600 10.467 -36.6613 -81.6495 -36.6598 -57.8584 -19.0916 -81.6503 -19.0925 62.5096 GPRESSURE: 3605600 55.0922 -17.5258 -62.8244 -65.007 -68.0245 -19.875 -163.871 -64.7328 122.649 PRESSAVG: 3605600 -7.38205 -2.06825 11.5757 -2.06831 42.8866 -46.1911 11.5757 -46.1911 -46.1158 GPRESSAVG: 3605600 -6.33708 -1.12779 10.3818 -1.63007 41.8566 -45.8571 10.7429 -45.9772 -46.2566 TIMING: 3605600 CPU: 10728.7, 0.00292679/step Wall: 10728.7, 0.00292679/step, 1.13365 hours remaining, 208.738281 MB of memory in use. ENERGY: 3605600 743.8794 2000.6492 1917.6110 118.0565 -206683.9404 18003.6929 0.0000 0.0000 34260.9882 -149639.0631 299.2097 -183900.0513 -149542.7575 298.4920 5.0394 36.5722 556263.9964 -3.5371 -3.5790 PRESSURE: 3605800 -65.1265 -130.993 120.709 -130.992 -8.85765 209.252 120.709 209.252 -226.601 GPRESSURE: 3605800 -73.7206 -143.037 152.878 -63.1093 19.1134 141.094 178.781 171.741 -142.222 PRESSAVG: 3605800 -63.017 -0.766818 -19.9996 -0.766739 38.6136 -47.6723 -19.9995 -47.6723 25.8095 GPRESSAVG: 3605800 -63.3221 -1.41087 -18.7444 -0.0941901 39.0983 -49.8586 -19.2452 -47.3684 25.4336 TIMING: 3605800 CPU: 10729.3, 0.00293216/step Wall: 10729.3, 0.00293216/step, 1.13556 hours remaining, 208.738281 MB of memory in use. ENERGY: 3605800 734.5099 2046.1342 1930.4935 114.1351 -206556.6669 17809.5662 0.0000 0.0000 34386.9925 -149534.8355 300.3102 -183921.8281 -149433.5629 298.7026 -100.1950 -65.6098 559203.7077 0.4687 0.4033 PRESSURE: 3606000 234.025 -4.15947 -69.1528 -4.15984 -151.183 -126.513 -69.1528 -126.512 4.72634 GPRESSURE: 3606000 255.364 60.0796 -63.9228 -12.839 -123.865 -252.211 -84.6742 -114.668 49.4414 PRESSAVG: 3606000 -12.803 39.1659 -74.1607 39.1659 -65.1258 -69.2476 -74.1607 -69.2477 53.8125 GPRESSAVG: 3606000 -10.96 37.6743 -74.6971 37.6671 -66.1701 -69.7886 -75.8046 -68.8974 53.3701 TIMING: 3606000 CPU: 10729.9, 0.00292678/step Wall: 10729.9, 0.00292678/step, 1.13332 hours remaining, 208.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3606000 737.8918 2041.9868 1952.2678 119.3801 -206377.3459 17914.5428 0.0000 0.0000 34084.0645 -149527.2121 297.6646 -183611.2766 -149436.4375 298.1853 29.1894 60.3132 558562.2853 -8.0388 -7.9200 PRESSURE: 3606200 8.06968 -73.9642 -180.721 -73.9651 24.1589 -81.7842 -180.721 -81.7843 354.279 GPRESSURE: 3606200 7.61436 -168.001 -105.834 21.9982 105.994 -6.53005 -163.928 -96.7612 375.562 PRESSAVG: 3606200 -1.96507 -48.4007 -3.00812 -48.4007 8.4665 -68.8265 -3.00808 -68.8263 37.2559 GPRESSAVG: 3606200 -2.82733 -49.8023 -3.14118 -46.6151 9.80793 -68.8931 -1.9403 -67.6396 37.0663 TIMING: 3606200 CPU: 10730.5, 0.00295841/step Wall: 10730.5, 0.00295841/step, 1.1454 hours remaining, 208.738281 MB of memory in use. ENERGY: 3606200 726.8837 2100.2446 1918.1107 110.4645 -206493.0691 17952.0177 0.0000 0.0000 33926.8349 -149758.5130 296.2915 -183685.3479 -149663.3129 297.6376 128.8360 163.0568 556433.1250 14.5858 14.6823 PRESSURE: 3606400 -392.441 -96.9898 -57.3149 -96.9899 42.5804 0.596546 -57.3151 0.596754 116.489 GPRESSURE: 3606400 -349.485 -136.895 54.1324 -119.732 66.8166 -104.038 -91.7745 23.7471 147.744 PRESSAVG: 3606400 -27.4853 -54.9042 -67.4801 -54.9041 -101.235 -13.5533 -67.48 -13.5533 89.7486 GPRESSAVG: 3606400 -27.9301 -53.1901 -66.9732 -54.4718 -101.687 -11.1001 -66.7306 -15.0126 90.1348 TIMING: 3606400 CPU: 10731, 0.00293734/step Wall: 10731, 0.00293734/step, 1.13708 hours remaining, 208.738281 MB of memory in use. ENERGY: 3606400 760.5913 2087.9696 1917.6836 105.0240 -206176.3271 17764.9849 0.0000 0.0000 33995.1970 -149544.8767 296.8885 -183540.0737 -149455.7770 297.8413 -77.7905 -44.9750 557164.0411 -12.9904 -13.1608 PRESSURE: 3606600 45.9182 -26.5593 -58.626 -26.5598 -151.916 26.9566 -58.626 26.9553 107.32 GPRESSURE: 3606600 111.486 -90.5586 -30.7334 -13.1614 -130.594 16.1099 -136.373 43.7327 114.568 PRESSAVG: 3606600 14.5728 -18.6231 -47.0394 -18.6231 -20.1919 24.8518 -47.0395 24.8518 13.6347 GPRESSAVG: 3606600 14.292 -17.8714 -45.5756 -18.188 -20.3865 24.2114 -49.1993 25.092 13.9579 TIMING: 3606600 CPU: 10731.6, 0.00293028/step Wall: 10731.6, 0.00293028/step, 1.13418 hours remaining, 208.738281 MB of memory in use. ENERGY: 3606600 761.2774 2026.7884 1926.2541 107.4303 -206431.1986 17892.3645 0.0000 0.0000 34157.3185 -149559.7654 298.3044 -183717.0839 -149462.0976 298.0981 0.4406 31.8198 557850.2505 2.6718 2.6212 PRESSURE: 3606800 144.819 4.81544 8.53691 4.8165 -201.36 -114.191 8.53616 -114.192 -146.427 GPRESSURE: 3606800 162.14 96.7594 40.2537 -69.085 -154.028 -61.1062 15.7745 -65.2567 -110.994 PRESSAVG: 3606800 3.97596 10.9486 -3.3517 10.9486 -28.6589 20.8267 -3.35182 20.8268 35.0974 GPRESSAVG: 3606800 4.31509 10.4491 -4.52926 10.0995 -27.959 19.5111 -0.204168 21.5651 33.8644 TIMING: 3606800 CPU: 10732.2, 0.00295382/step Wall: 10732.2, 0.00295382/step, 1.14313 hours remaining, 208.738281 MB of memory in use. ENERGY: 3606800 756.2254 2033.8823 1949.6357 122.8938 -206300.1464 17889.0366 0.0000 0.0000 33875.9635 -149672.5090 295.8472 -183548.4725 -149576.4756 298.0369 -67.6558 -34.2941 558087.9939 3.4715 3.4068 PRESSURE: 3607000 83.816 69.9953 -143.118 69.9949 289.182 17.7272 -143.119 17.727 316.396 GPRESSURE: 3607000 185.468 65.7812 -57.6281 91.9827 281.974 29.9724 -258.962 -32.3479 322.04 PRESSAVG: 3607000 -72.7867 69.6056 -5.96029 69.6056 -11.6767 -49.4742 -5.96026 -49.4743 67.882 GPRESSAVG: 3607000 -71.3473 69.907 -4.95032 69.393 -13.7765 -47.3736 -8.80436 -49.2141 68.6848 TIMING: 3607000 CPU: 10732.8, 0.00294517/step Wall: 10732.8, 0.00294517/step, 1.13962 hours remaining, 208.738281 MB of memory in use. ENERGY: 3607000 726.1412 2102.9131 1941.4888 112.5930 -206921.6799 18160.3393 0.0000 0.0000 34229.5676 -149648.6369 298.9353 -183878.2045 -149553.3620 298.1909 229.7982 263.1608 555764.6445 -5.5271 -5.4797 PRESSURE: 3607200 -7.50012 -277.941 39.4264 -277.942 414.173 -162.706 39.4271 -162.708 208.596 GPRESSURE: 3607200 0.351267 -232.146 57.1329 -390.664 441.712 -124.52 -4.69485 -121.868 271.922 PRESSAVG: 3607200 -34.9745 -1.0677 5.38369 -1.06778 42.8063 -71.7434 5.38377 -71.7435 24.3536 GPRESSAVG: 3607200 -36.6715 -2.28851 4.11997 -0.713667 44.43 -72.8961 6.40813 -72.7197 24.5571 TIMING: 3607200 CPU: 10733.4, 0.00295299/step Wall: 10733.4, 0.00295299/step, 1.14248 hours remaining, 208.738281 MB of memory in use. ENERGY: 3607200 728.5869 2106.7572 1922.2429 117.3933 -206824.7986 18044.2855 0.0000 0.0000 34068.8705 -149836.6622 297.5319 -183905.5328 -149743.2883 297.7576 205.0899 237.9950 555532.8093 10.7285 10.7718 PRESSURE: 3607400 -42.4695 -115.108 -59.1466 -115.107 76.0161 -30.9926 -59.1477 -30.9923 168.24 GPRESSURE: 3607400 28.3336 -37.6551 -17.3274 -158.318 129.564 11.052 -65.9565 -67.5957 148.244 PRESSAVG: 3607400 -7.40134 -43.026 35.2024 -43.026 -8.34899 -25.7999 35.2024 -25.8 28.5842 GPRESSAVG: 3607400 -7.16499 -40.72 35.992 -46.4813 -9.24403 -24.3974 34.7741 -26.1259 28.9617 TIMING: 3607400 CPU: 10734, 0.00293483/step Wall: 10734, 0.00293483/step, 1.13529 hours remaining, 208.738281 MB of memory in use. ENERGY: 3607400 773.5842 2080.1216 1978.5006 111.7478 -207044.8886 18172.2979 0.0000 0.0000 34129.1983 -149799.4382 298.0588 -183928.6366 -149699.2103 297.4890 67.2621 102.0472 556604.3327 4.2780 4.1842 PRESSURE: 3607600 117.571 -41.2181 -22.5859 -41.2189 132.513 -85.2663 -22.5858 -85.2663 35.7871 GPRESSURE: 3607600 119.855 -117.624 15.4364 -34.9287 237.743 -61.7495 -31.7181 -91.0633 18.8432 PRESSAVG: 3607600 -39.1642 -79.6495 -6.83642 -79.6494 59.8814 -16.9427 -6.83646 -16.9426 -21.5665 GPRESSAVG: 3607600 -39.4398 -80.6957 -6.8676 -78.0379 60.1595 -17.21 -5.52856 -18.0801 -21.9785 TIMING: 3607600 CPU: 10734.6, 0.0029327/step Wall: 10734.6, 0.0029327/step, 1.1343 hours remaining, 208.738281 MB of memory in use. ENERGY: 3607600 722.1244 2123.8996 1926.0671 103.2889 -207128.5542 18212.3631 0.0000 0.0000 34269.6380 -149771.1732 299.2853 -184040.8112 -149673.7957 297.7475 95.2904 125.4804 558013.6140 -0.2831 -0.4196 PRESSURE: 3607800 59.6482 -37.9638 -165.47 -37.9657 293.022 -34.3631 -165.469 -34.3623 184.127 GPRESSURE: 3607800 151.058 -110.111 -189.745 34.0322 283.244 -28.2347 -149.06 -25.1398 201.619 PRESSAVG: 3607800 -34.7557 30.4098 -36.3482 30.4098 26.1519 6.70325 -36.3481 6.70322 -26.0591 GPRESSAVG: 3607800 -35.1915 30.5314 -35.7541 30.9419 25.1636 6.37085 -37.3007 7.37988 -25.8317 TIMING: 3607800 CPU: 10735.2, 0.00295378/step Wall: 10735.2, 0.00295378/step, 1.14229 hours remaining, 208.738281 MB of memory in use. ENERGY: 3607800 731.7525 2073.1102 1943.4146 110.1776 -207100.3009 18338.9247 0.0000 0.0000 34222.4760 -149680.4453 298.8734 -183902.9213 -149580.4185 298.2023 178.9322 211.9738 557150.4449 -11.5543 -11.9532 PRESSURE: 3608000 141.913 -81.1663 22.6669 -81.1665 239.243 -229.633 22.6672 -229.633 -34.7006 GPRESSURE: 3608000 207.776 -104.473 -12.8902 -70.529 259.4 -248.832 100.145 -85.6036 -22.6735 PRESSAVG: 3608000 -49.7359 55.1695 0.662754 55.1695 27.6157 23.0739 0.662756 23.0739 18.7493 GPRESSAVG: 3608000 -50.5804 57.0371 0.138251 53.4383 28.9254 23.7561 0.783415 23.7973 18.7971 TIMING: 3608000 CPU: 10735.8, 0.00298204/step Wall: 10735.8, 0.00298204/step, 1.15305 hours remaining, 208.738281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3608000 715.2154 2111.8082 1931.7925 116.4876 -206788.6973 18094.1309 0.0000 0.0000 34200.7132 -149618.5496 298.6833 -183819.2627 -149518.9358 297.8613 115.4852 148.1677 558823.2039 -1.1236 -0.9527 PRESSURE: 3608200 -219.735 216.585 31.8761 216.584 -340.16 -52.806 31.8751 -52.8077 -299.898 GPRESSURE: 3608200 -183.162 186.985 10.8697 204.979 -254.838 -23.1186 30.1033 -9.22518 -327.669 PRESSAVG: 3608200 18.0947 31.0118 -39.1886 31.0118 -27.8525 -59.9849 -39.1886 -59.9848 41.7714 GPRESSAVG: 3608200 19.1774 29.081 -40.7887 33.0658 -29.2061 -59.9462 -39.9604 -59.0551 41.7836 TIMING: 3608200 CPU: 10736.4, 0.00297431/step Wall: 10736.4, 0.00297431/step, 1.1499 hours remaining, 208.738281 MB of memory in use. ENERGY: 3608200 760.4653 2119.8019 1944.1626 116.1636 -206107.5151 17570.3058 0.0000 0.0000 34071.3827 -149525.2332 297.5539 -183596.6159 -149428.2948 298.3349 -286.5976 -255.2230 558398.7879 10.6712 10.5850 LDB: ============= START OF LOAD BALANCING ============== 10739.9 LDB: ============== END OF LOAD BALANCING =============== 10739.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10739.9 LDB: ============= START OF LOAD BALANCING ============== 10740.2 LDB: Largest compute 4802 load 0.026069 is 22.1% of average load 0.118195 LDB: Average compute 0.001735 is 1.5% of average load 0.118195 LDB: TIME 10740.2 LOAD: AVG 0.118195 MAX 0.198458 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.543 MB LDB: TIME 10740.2 LOAD: AVG 0.118195 MAX 0.198458 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: TIME 10740.2 LOAD: AVG 0.118195 MAX 0.198458 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: ============== END OF LOAD BALANCING =============== 10740.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10740.2 PRESSURE: 3608400 -57.4364 -56.5497 -0.268043 -56.5482 -61.1495 239.276 -0.268844 239.275 -51.0744 GPRESSURE: 3608400 40.2977 -3.4409 47.456 -100.353 -70.1043 258.149 -4.32263 176.171 -13.8276 PRESSAVG: 3608400 -18.0814 27.7075 -20.4065 27.7076 31.1831 18.0171 -20.4066 18.0171 -18.2572 GPRESSAVG: 3608400 -18.3872 27.0232 -17.9953 29.0789 31.6231 17.5377 -19.5533 17.0026 -17.4025 TIMING: 3608400 CPU: 10737, 0.00302552/step Wall: 10737, 0.00302552/step, 1.16953 hours remaining, 207.253906 MB of memory in use. ENERGY: 3608400 756.9210 2087.2863 1923.8285 122.6565 -205999.9477 17648.9594 0.0000 0.0000 34117.6295 -149342.6664 297.9577 -183460.2958 -149245.5593 297.9945 -56.5534 -14.5447 556378.6481 -1.7185 -1.3889 PRESSURE: 3608600 157.189 -23.0949 179.509 -23.095 -58.5071 19.8684 179.507 19.8688 -144.567 GPRESSURE: 3608600 248.148 -85.2171 250.771 34.2872 -78.7977 69.5441 176.183 93.9759 -114.442 PRESSAVG: 3608600 14.8594 -17.0076 49.4629 -17.0075 -16.6976 35.8781 49.4628 35.8782 -10.8263 GPRESSAVG: 3608600 14.665 -17.737 49.0817 -18.6865 -17.6537 35.675 50.2965 36.055 -9.97344 TIMING: 3608600 CPU: 10737.6, 0.00299272/step Wall: 10737.6, 0.00299272/step, 1.15669 hours remaining, 207.453125 MB of memory in use. ENERGY: 3608600 757.5659 2089.9740 1918.4630 117.2128 -206239.8011 17811.6127 0.0000 0.0000 34209.7592 -149335.2135 298.7623 -183544.9727 -149242.3378 298.7549 -15.2948 18.3028 557002.6225 -4.2215 -4.3207 PRESSURE: 3608800 -91.3754 -2.84997 126.989 -2.84962 6.14767 76.0239 126.99 76.0238 -141.92 GPRESSURE: 3608800 -91.6771 28.0177 142.789 -37.821 101.181 14.3683 133.542 97.5312 -128.552 PRESSAVG: 3608800 80.5636 57.0678 9.55399 57.0677 -35.5407 41.0189 9.554 41.0188 -41.9253 GPRESSAVG: 3608800 79.6231 57.2873 9.87664 56.7986 -34.6723 41.2912 7.86747 39.9593 -42.2739 TIMING: 3608800 CPU: 10738.1, 0.0029539/step Wall: 10738.1, 0.0029539/step, 1.14152 hours remaining, 207.453125 MB of memory in use. ENERGY: 3608800 793.6170 2162.8801 1931.5620 104.1664 -206061.0198 17803.1713 0.0000 0.0000 34063.3219 -149202.3012 297.4835 -183265.6231 -149106.9737 299.0553 -75.7159 -39.6828 557657.8659 1.0325 0.8923 PRESSURE: 3609000 -191.404 -33.4313 85.2636 -33.4304 -378.942 -122.436 85.2634 -122.436 -411.669 GPRESSURE: 3609000 -141.47 -23.069 96.3953 34.2024 -346.177 -157.525 43.8728 -97.2848 -380.641 PRESSAVG: 3609000 3.73731 -1.58722 26.1204 -1.58718 -63.1748 10.8387 26.1206 10.8388 17.4169 GPRESSAVG: 3609000 5.29614 -0.374998 25.689 -1.86964 -62.2102 10.5645 27.0568 12.5664 15.0948 TIMING: 3609000 CPU: 10738.7, 0.00293761/step Wall: 10738.7, 0.00293761/step, 1.13506 hours remaining, 207.453125 MB of memory in use. ENERGY: 3609000 766.1132 2113.2458 1916.4671 97.7218 -206042.3766 17523.5184 0.0000 0.0000 34501.9808 -149123.3295 301.3144 -183625.3103 -149022.8846 299.2707 -327.3386 -289.4294 558681.4684 -14.0069 -13.9398 PRESSURE: 3609200 -195.612 41.737 -53.7189 41.7379 17.7398 -31.4548 -53.719 -31.4542 -169.607 GPRESSURE: 3609200 -146.733 38.4372 -54.8048 103.225 17.5935 -110.469 -7.81258 3.09357 -123.555 PRESSAVG: 3609200 -81.0708 -20.7245 32.2984 -20.7245 5.54167 -67.4157 32.2983 -67.4157 54.7532 GPRESSAVG: 3609200 -81.2284 -20.42 33.4299 -21.7726 3.48885 -68.1019 32.5368 -68.7354 57.2 TIMING: 3609200 CPU: 10739.3, 0.00294197/step Wall: 10739.3, 0.00294197/step, 1.13658 hours remaining, 207.453125 MB of memory in use. ENERGY: 3609200 776.8307 2045.9452 1951.6441 110.0902 -206180.1072 17836.8957 0.0000 0.0000 34327.9279 -149130.7735 299.7943 -183458.7014 -149031.9774 299.7820 -115.8265 -84.2315 558028.6030 -6.9253 -6.8465 PRESSURE: 3609400 -128.031 24.9771 11.3195 24.9771 147.246 -143.792 11.3194 -143.794 -226.473 GPRESSURE: 3609400 -77.8131 34.5518 75.2803 55.2023 147.07 -143.261 59.3714 -11.4836 -170.457 PRESSAVG: 3609400 -48.1457 8.27783 32.4484 8.27785 66.3557 -14.8593 32.4484 -14.8593 -6.6861 GPRESSAVG: 3609400 -48.6215 7.50729 32.4332 8.437 67.2905 -13.7113 31.5459 -13.2079 -7.05441 TIMING: 3609400 CPU: 10739.9, 0.00297293/step Wall: 10739.9, 0.00297293/step, 1.14838 hours remaining, 207.453125 MB of memory in use. ENERGY: 3609400 780.0397 2063.4547 1932.4461 126.0922 -205941.3352 17762.3393 0.0000 0.0000 34094.0922 -149182.8711 297.7522 -183276.9633 -149088.9136 299.7162 -69.0858 -33.7333 556906.7088 3.8413 3.8715 PRESSURE: 3609600 -119.062 -91.6819 24.3611 -91.6814 -30.1596 77.1844 24.3621 77.1836 -92.584 GPRESSURE: 3609600 -99.2844 -108.278 -45.7906 -100.541 -22.3097 81.9096 -39.2447 93.6226 -24.9375 PRESSAVG: 3609600 -42.4832 10.4517 29.5129 10.4517 34.0661 24.998 29.5129 24.998 -0.0668368 GPRESSAVG: 3609600 -43.6819 10.2111 28.0542 9.27926 36.0762 25.3753 29.3172 23.3557 -0.889949 TIMING: 3609600 CPU: 10740.5, 0.00297905/step Wall: 10740.5, 0.00297905/step, 1.15057 hours remaining, 207.453125 MB of memory in use. ENERGY: 3609600 701.4430 2020.1017 1937.1409 105.3265 -206046.9827 17613.3092 0.0000 0.0000 34435.7947 -149233.8667 300.7364 -183669.6614 -149140.9533 299.5141 -80.6017 -48.8439 557314.9434 -2.8280 -2.8319 PRESSURE: 3609800 -74.2197 -136.836 -111.892 -136.836 153.043 -35.721 -111.891 -35.7208 -25.3766 GPRESSURE: 3609800 -27.5786 -78.8412 -155.438 -235.495 174.331 -94.557 -162.396 -70.6644 9.55734 PRESSAVG: 3609800 33.6726 64.3807 -3.69449 64.3807 -16.5734 -19.1097 -3.69448 -19.1097 -0.564502 GPRESSAVG: 3609800 33.9355 63.0877 -1.72095 66.9944 -18.2323 -21.2613 -4.07172 -17.9936 0.23515 TIMING: 3609800 CPU: 10741.1, 0.00294484/step Wall: 10741.1, 0.00294484/step, 1.1372 hours remaining, 207.453125 MB of memory in use. ENERGY: 3609800 719.6414 2054.3649 1943.5361 113.8609 -205990.1449 17651.4151 0.0000 0.0000 34330.6898 -149176.6366 299.8185 -183507.3264 -149075.9267 299.4880 17.8156 52.1033 556960.6483 5.5116 5.3128 PRESSURE: 3610000 276.722 -0.271384 49.4133 -0.272688 42.7385 305.921 49.4126 305.921 -29.6923 GPRESSURE: 3610000 313.233 -58.5877 65.7883 77.161 78.9711 329.595 37.3515 306.145 -11.1922 PRESSAVG: 3610000 -39.8947 71.1213 12.334 71.1213 46.2327 46.7293 12.3341 46.7294 -35.2555 GPRESSAVG: 3610000 -40.2183 70.6939 7.60469 71.3102 44.9798 47.0101 15.5424 45.771 -33.7281 TIMING: 3610000 CPU: 10741.7, 0.0029333/step Wall: 10741.7, 0.0029333/step, 1.13258 hours remaining, 207.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3610000 729.4649 2134.8200 1943.2290 117.3379 -206293.4581 17980.1779 0.0000 0.0000 34246.6084 -149141.8200 299.0841 -183388.4284 -149043.6488 300.0819 96.5893 127.0039 557983.2305 -9.6392 -9.6555 PRESSURE: 3610200 -110.357 100.943 -122.03 100.943 37.6875 -119.308 -122.031 -119.309 161.256 GPRESSURE: 3610200 1.01503 109.434 -54.3827 38.9739 -10.1678 -150.659 -197.429 -64.204 185.621 PRESSAVG: 3610200 -5.58264 3.16378 19.8963 3.16379 3.09618 22.7477 19.8962 22.7476 4.82084 GPRESSAVG: 3610200 -4.74164 2.84983 21.6713 2.75084 3.71611 22.5833 16.0896 23.1559 3.69737 TIMING: 3610200 CPU: 10742.3, 0.00293802/step Wall: 10742.3, 0.00293802/step, 1.13424 hours remaining, 207.695312 MB of memory in use. ENERGY: 3610200 732.1982 2069.1584 1952.3358 102.9026 -206336.9131 17805.0828 0.0000 0.0000 34344.9254 -149330.3099 299.9428 -183675.2354 -149234.4087 299.9178 29.5288 58.8227 556130.2223 0.7781 0.8906 PRESSURE: 3610400 192.839 -57.6735 35.5945 -57.6734 -179.962 -144.566 35.5933 -144.566 51.9307 GPRESSURE: 3610400 199.137 -4.75828 42.7639 -12.5376 -82.1463 -176.355 2.10214 -72.1801 41.601 PRESSAVG: 3610400 68.0429 47.1059 25.7328 47.1058 -60.305 -13.1776 25.7328 -13.1776 -24.3628 GPRESSAVG: 3610400 68.211 49.7203 24.9109 46.6248 -59.7397 -11.7512 29.3435 -13.1675 -25.1947 TIMING: 3610400 CPU: 10742.9, 0.00293654/step Wall: 10742.9, 0.00293654/step, 1.1335 hours remaining, 207.695312 MB of memory in use. ENERGY: 3610400 734.5789 2111.4221 1962.8314 119.9363 -206026.8536 17697.2359 0.0000 0.0000 33955.3448 -149445.5043 296.5405 -183400.8491 -149348.8690 298.8419 21.6024 52.8639 556394.0619 -5.5416 -5.5745 PRESSURE: 3610600 -36.2036 -10.691 71.4042 -10.6893 -96.72 83.4222 71.4034 83.4228 -82.0485 GPRESSURE: 3610600 73.4004 -0.0335944 114.602 54.6083 -105.825 32.7643 30.0774 65.4407 -84.283 PRESSAVG: 3610600 86.3051 -13.2832 17.7552 -13.2832 29.4524 -9.71909 17.7553 -9.719 -81.1639 GPRESSAVG: 3610600 87.3291 -13.3206 17.2149 -11.5336 28.8913 -9.84609 16.9329 -10.4179 -81.9137 TIMING: 3610600 CPU: 10743.5, 0.00293099/step Wall: 10743.5, 0.00293099/step, 1.1312 hours remaining, 207.695312 MB of memory in use. ENERGY: 3610600 755.0430 2084.8386 1941.2920 111.6921 -206119.1345 17600.3063 0.0000 0.0000 34401.6374 -149224.3252 300.4381 -183625.9626 -149125.3944 298.6680 -71.6574 -38.9024 558017.0696 11.5312 11.4356 PRESSURE: 3610800 -73.0983 -77.1126 109.729 -77.1137 114.346 -119.863 109.727 -119.863 -238.737 GPRESSURE: 3610800 -86.321 -34.1334 139.56 -83.8706 229.415 -101.604 92.4958 -163.102 -239.76 PRESSAVG: 3610800 -1.42797 4.73643 10.4432 4.73638 23.2056 -15.8886 10.4433 -15.8885 -52.2969 GPRESSAVG: 3610800 -3.04414 5.03877 10.2112 4.66501 23.25 -16.0336 9.04162 -14.8891 -51.3599 TIMING: 3610800 CPU: 10744, 0.0029226/step Wall: 10744, 0.0029226/step, 1.1278 hours remaining, 207.695312 MB of memory in use. ENERGY: 3610800 755.6760 2173.3313 1944.6514 106.3516 -206370.9951 17881.2383 0.0000 0.0000 34193.2603 -149316.4863 298.6182 -183509.7465 -149221.0449 299.7269 -65.8296 -32.2220 556902.7087 -10.1731 -10.3847 PRESSURE: 3611000 -186.615 166.735 -53.8975 166.736 69.852 81.493 -53.898 81.4933 108.016 GPRESSURE: 3611000 -141.18 184.902 -54.8855 206.094 50.0555 119.92 -26.9119 138.832 180.646 PRESSAVG: 3611000 -56.124 26.8792 -35.9631 26.8792 30.3692 -0.690519 -35.9631 -0.690475 50.2749 GPRESSAVG: 3611000 -55.8453 26.1351 -34.5626 26.9419 30.2446 -0.0946806 -35.2864 -2.12587 49.6606 TIMING: 3611000 CPU: 10744.6, 0.00294423/step Wall: 10744.6, 0.00294423/step, 1.13598 hours remaining, 207.695312 MB of memory in use. ENERGY: 3611000 780.2461 2132.3619 1929.1110 118.5886 -206090.1207 17660.8476 0.0000 0.0000 34152.0034 -149316.9621 298.2579 -183468.9655 -149223.3232 298.6717 -2.9157 29.8405 555316.2182 8.1733 8.0200 PRESSURE: 3611200 51.9693 104.801 -137.864 104.803 -24.8074 -11.7903 -137.865 -11.7898 -103.542 GPRESSURE: 3611200 99.4046 77.6934 -66.682 83.7684 -18.4667 8.79875 -147.323 -91.4027 -58.9764 PRESSAVG: 3611200 -10.5742 25.8835 -45.0421 25.8834 12.1072 28.0259 -45.0421 28.0259 -28.3409 GPRESSAVG: 3611200 -11.6443 26.2569 -45.3981 24.6741 12.6497 26.3035 -44.6837 29.9504 -27.9049 TIMING: 3611200 CPU: 10745.2, 0.00294973/step Wall: 10745.2, 0.00294973/step, 1.13794 hours remaining, 207.695312 MB of memory in use. ENERGY: 3611200 756.1059 2151.4717 1940.2756 117.4171 -206254.4221 17672.1602 0.0000 0.0000 34399.0170 -149217.9746 300.4152 -183616.9916 -149116.4904 299.6235 -25.4602 7.3205 556280.8662 -8.9360 -8.9665 PRESSURE: 3611400 2.61531 -0.689794 -10.6295 -0.689659 -28.0818 -72.7301 -10.6307 -72.7312 -77.2647 GPRESSURE: 3611400 39.1187 -73.8628 -80.303 15.0242 -6.26998 -59.5804 31.1837 -27.5575 -35.8521 PRESSAVG: 3611400 24.9187 -62.5141 24.0941 -62.5141 44.9698 -27.3287 24.094 -27.3286 -18.4512 GPRESSAVG: 3611400 25.9683 -64.1851 24.0478 -61.9212 43.0981 -26.1221 26.5853 -28.1395 -17.5359 TIMING: 3611400 CPU: 10745.8, 0.00294347/step Wall: 10745.8, 0.00294347/step, 1.13536 hours remaining, 207.695312 MB of memory in use. ENERGY: 3611400 780.6691 2093.9045 1948.1074 131.0409 -206245.9282 17714.3956 0.0000 0.0000 34350.1891 -149227.6217 299.9887 -183577.8108 -149128.9309 299.4585 -34.2437 -1.0011 556445.4855 17.1458 17.1769 PRESSURE: 3611600 -185.672 -99.0642 -138.246 -99.0647 -361.624 -186.13 -138.245 -186.13 2.36719 GPRESSURE: 3611600 -193.155 -100.446 -109.546 -38.528 -274.412 -142.166 -180.561 -119.083 16.0673 PRESSAVG: 3611600 27.5289 -35.2117 45.5972 -35.2118 -2.86872 -27.2411 45.5972 -27.241 -29.8857 GPRESSAVG: 3611600 26.4665 -35.2014 45.6255 -35.4195 -1.73152 -27.3217 45.4869 -26.6381 -30.3824 TIMING: 3611600 CPU: 10746.4, 0.00294244/step Wall: 10746.4, 0.00294244/step, 1.1348 hours remaining, 207.695312 MB of memory in use. ENERGY: 3611600 751.7907 2145.4013 1908.3370 117.4117 -205757.2654 17402.1870 0.0000 0.0000 34314.5270 -149117.6107 299.6773 -183432.1377 -149020.8670 299.7568 -181.6429 -150.4998 557567.6260 -1.7418 -1.8825 PRESSURE: 3611800 315.635 -194.495 63.8945 -194.494 105.117 -51.7663 63.8944 -51.7668 365.806 GPRESSURE: 3611800 312.77 -207.989 83.7117 -123.226 168.959 -55.9696 73.4169 -37.731 406.563 PRESSAVG: 3611800 6.99968 -51.0482 -31.2171 -51.0481 -42.4214 -25.9605 -31.217 -25.9604 73.4792 GPRESSAVG: 3611800 6.94469 -51.4502 -28.5064 -49.7841 -42.7864 -27.4358 -33.3367 -25.139 74.0496 TIMING: 3611800 CPU: 10747, 0.00293112/step Wall: 10747, 0.00293112/step, 1.13027 hours remaining, 207.695312 MB of memory in use. ENERGY: 3611800 737.4743 2106.9171 1944.5958 131.5016 -206465.1127 18051.1835 0.0000 0.0000 34343.5548 -149149.8857 299.9308 -183493.4405 -149057.4543 300.2892 262.1860 296.0975 555851.6418 12.6858 12.7360 PRESSURE: 3612000 -345.038 99.7464 114.339 99.7456 -222.984 -54.4076 114.339 -54.4081 -156.834 GPRESSURE: 3612000 -323.687 90.3917 147.402 112.439 -175.343 -62.3405 30.0425 -127.556 -137.649 PRESSAVG: 3612000 -36.5811 -24.6148 35.7174 -24.6147 -12.8117 -16.2109 35.7173 -16.2109 70.9086 GPRESSAVG: 3612000 -36.1058 -22.0914 33.9339 -27.3074 -11.9888 -15.3195 36.9174 -17.9068 69.9013 TIMING: 3612000 CPU: 10747.6, 0.00293796/step Wall: 10747.6, 0.00293796/step, 1.13275 hours remaining, 207.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3612000 764.7881 2075.2683 1927.0583 123.8843 -206242.1374 17700.7411 0.0000 0.0000 34391.6049 -149258.7925 300.3504 -183650.3973 -149159.6941 299.8932 -241.6187 -212.2264 558931.8376 7.1719 7.2689 PRESSURE: 3612200 -228.295 -195.452 2.88196 -195.452 -204.608 29.9162 2.882 29.9151 -221.743 GPRESSURE: 3612200 -134.722 -121.04 10.308 -216.87 -204.834 22.9001 -32.3746 45.4773 -221.664 PRESSAVG: 3612200 -20.1987 -55.708 13.4099 -55.7081 -39.6546 -27.8314 13.4099 -27.8315 17.3239 GPRESSAVG: 3612200 -20.1085 -57.2864 12.7803 -54.1597 -40.2829 -27.3523 12.1796 -29.2257 17.1507 TIMING: 3612200 CPU: 10748.2, 0.00292561/step Wall: 10748.2, 0.00292561/step, 1.12782 hours remaining, 207.695312 MB of memory in use. ENERGY: 3612200 767.7014 2149.4316 1905.7295 118.1851 -206173.2591 17715.3688 0.0000 0.0000 34261.5850 -149255.2576 299.2149 -183516.8426 -149155.5693 299.8693 -218.2151 -187.0733 559239.7796 -14.1765 -14.4136 LDB: ============= START OF LOAD BALANCING ============== 10751.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10751.7 LDB: =============== DONE WITH MIGRATION ================ 10751.7 LDB: ============= START OF LOAD BALANCING ============== 10752 LDB: Largest compute 4802 load 0.024374 is 20.6% of average load 0.118236 LDB: Average compute 0.001741 is 1.5% of average load 0.118236 LDB: TIME 10752 LOAD: AVG 0.118236 MAX 0.197031 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 10752 LOAD: AVG 0.118236 MAX 0.197031 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: TIME 10752 LOAD: AVG 0.118236 MAX 0.197031 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10752 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10752 PRESSURE: 3612400 -93.9786 -156.25 104.738 -156.251 -105.434 -114.855 104.738 -114.854 41.0258 GPRESSURE: 3612400 -42.1487 -151.627 46.5416 -178.636 -101.004 -133.61 87.8084 -71.4757 73.9537 PRESSAVG: 3612400 54.3995 -23.9404 30.1921 -23.9403 2.23532 -48.9313 30.1921 -48.9314 -51.5364 GPRESSAVG: 3612400 54.4743 -25.509 30.9111 -24.6439 3.02319 -51.6978 30.5799 -45.9302 -51.731 TIMING: 3612400 CPU: 10748.7, 0.00298711/step Wall: 10748.7, 0.00298711/step, 1.15137 hours remaining, 209.304688 MB of memory in use. ENERGY: 3612400 815.0141 2087.4870 1959.1280 114.2390 -206259.4771 17888.6064 0.0000 0.0000 34454.6242 -148940.3785 300.9008 -183395.0027 -148845.7301 300.1636 -52.7956 -23.0663 558664.5464 1.6995 1.9222 PRESSURE: 3612600 -236.417 1.63209 -33.0499 1.632 -38.137 32.1629 -33.0483 32.1629 -179.178 GPRESSURE: 3612600 -248.28 14.0894 44.4449 47.0709 -18.663 -29.9674 -2.34343 8.88434 -105.599 PRESSAVG: 3612600 -53.7848 -13.6712 -20.9444 -13.6713 41.4717 61.5638 -20.9444 61.5637 -7.07085 GPRESSAVG: 3612600 -54.1283 -12.4128 -20.1849 -11.8733 41.9053 62.2634 -22.8914 60.0062 -7.22652 TIMING: 3612600 CPU: 10749.3, 0.0029494/step Wall: 10749.3, 0.0029494/step, 1.13666 hours remaining, 209.375000 MB of memory in use. ENERGY: 3612600 769.8760 2090.9441 1967.1551 115.0132 -205915.9573 17553.1070 0.0000 0.0000 34453.8713 -148965.9907 300.8942 -183419.8620 -148875.2570 300.2317 -151.2441 -124.1805 557727.1581 -6.4613 -6.4832 PRESSURE: 3612800 345.758 109.051 12.9356 109.052 102.572 -42.3788 12.9349 -42.3803 144.48 GPRESSURE: 3612800 367.233 177.303 -109.856 9.18824 149.894 34.813 108.292 -53.8317 176.777 PRESSAVG: 3612800 -40.6458 45.0845 7.18266 45.0845 58.8714 -15.1966 7.18264 -15.1966 18.8177 GPRESSAVG: 3612800 -40.6677 45.0831 4.99291 45.928 58.9734 -12.0705 12.0209 -14.3359 18.726 TIMING: 3612800 CPU: 10749.9, 0.00295151/step Wall: 10749.9, 0.00295151/step, 1.13731 hours remaining, 209.375000 MB of memory in use. ENERGY: 3612800 753.5972 2076.2424 1949.0298 115.1993 -206118.6594 17990.6669 0.0000 0.0000 34255.0722 -148978.8516 299.1581 -183233.9238 -148875.0005 300.2950 197.6034 231.3012 556299.1273 12.3477 12.3439 PRESSURE: 3613000 -105.938 -136.764 106.756 -136.763 99.0207 69.3708 106.756 69.3697 29.6745 GPRESSURE: 3613000 -13.5331 -97.7018 190.481 -133.451 87.1247 -2.25153 58.323 54.5719 51.721 PRESSAVG: 3613000 -10.0306 -31.198 2.41938 -31.198 41.6081 -3.65077 2.41938 -3.65081 -15.5642 GPRESSAVG: 3613000 -10.9289 -30.9133 4.49454 -33.6934 42.1425 -3.27938 0.00935921 -5.46386 -15.0709 TIMING: 3613000 CPU: 10750.5, 0.00294699/step Wall: 10750.5, 0.00294699/step, 1.13541 hours remaining, 209.375000 MB of memory in use. ENERGY: 3613000 721.7697 2095.9328 1954.8698 118.0099 -205850.4657 17646.7173 0.0000 0.0000 34339.3119 -148973.8542 299.8938 -183313.1662 -148877.7161 300.9008 7.5858 41.7709 557368.9932 5.3378 5.3809 PRESSURE: 3613200 85.5315 -47.5577 -42.9727 -47.5589 -207.471 55.817 -42.9731 55.8186 103.735 GPRESSURE: 3613200 147.846 -66.8756 -67.8766 -41.407 -124.382 -10.4863 -35.576 -40.2184 54.6977 PRESSAVG: 3613200 34.9824 -36.2914 11.3391 -36.2914 5.28637 24.2636 11.3391 24.2637 2.74289 GPRESSAVG: 3613200 35.6726 -35.692 12.1953 -36.5751 2.89221 22.5781 11.5333 26.0154 3.89726 TIMING: 3613200 CPU: 10751.1, 0.0029338/step Wall: 10751.1, 0.0029338/step, 1.13017 hours remaining, 209.375000 MB of memory in use. ENERGY: 3613200 773.6166 2079.4712 1954.5243 105.9273 -205983.4859 17803.3682 0.0000 0.0000 34261.8877 -149004.6906 299.2176 -183266.5783 -148899.8350 300.3662 -6.0683 26.0539 557032.8588 14.3372 14.1540 PRESSURE: 3613400 67.1449 80.7368 -131.967 80.7359 31.8445 -11.4259 -131.965 -11.4251 -24.6302 GPRESSURE: 3613400 102.463 50.8939 -31.5177 148.49 94.7326 26.5822 -148.585 -72.5486 -21.2306 PRESSAVG: 3613400 51.7555 13.612 -4.29995 13.612 -116.911 -1.63924 -4.29992 -1.63911 70.1797 GPRESSAVG: 3613400 52.6099 11.2569 -4.37102 16.1127 -115.928 -2.79181 -5.08317 -0.983622 68.1911 TIMING: 3613400 CPU: 10751.7, 0.00296702/step Wall: 10751.7, 0.00296702/step, 1.1428 hours remaining, 209.375000 MB of memory in use. ENERGY: 3613400 758.7678 2136.7563 1928.3825 124.2824 -205604.1930 17590.3609 0.0000 0.0000 34309.9541 -148755.6891 299.6374 -183065.6432 -148660.3945 300.0014 24.7864 58.6549 558068.9419 1.6746 1.6243 PRESSURE: 3613600 79.2395 -54.8539 68.5878 -54.8545 -200.888 75.7817 68.5866 75.7816 -334.54 GPRESSURE: 3613600 96.0774 -67.6836 51.5003 -67.3926 -161.222 45.6311 122.323 76.3578 -286.472 PRESSAVG: 3613600 11.4105 -31.4799 32.2547 -31.4799 19.9397 -3.53719 32.2547 -3.53732 -3.77431 GPRESSAVG: 3613600 11.1755 -30.0777 32.025 -33.2921 19.0367 -2.48349 32.7951 -4.66587 -2.78116 TIMING: 3613600 CPU: 10752.3, 0.00295616/step Wall: 10752.3, 0.00295616/step, 1.13845 hours remaining, 209.375000 MB of memory in use. ENERGY: 3613600 795.4071 2122.4048 1924.8606 114.8750 -205830.5595 17650.9976 0.0000 0.0000 34416.3414 -148805.6730 300.5665 -183222.0144 -148707.3492 300.9690 -152.0630 -117.2055 558790.8295 9.1920 9.1437 PRESSURE: 3613800 96.6442 29.3445 -53.9011 29.3437 17.856 16.9111 -53.9006 16.9117 219.297 GPRESSURE: 3613800 142.639 49.9017 -85.3712 16.6479 39.1268 57.5907 -94.133 -56.9496 252.36 PRESSAVG: 3613800 44.8639 6.93085 -55.4166 6.93075 -34.2813 -12.4589 -55.4165 -12.4591 6.70657 GPRESSAVG: 3613800 44.3933 7.09943 -55.1624 6.70704 -33.124 -13.0052 -56.4648 -11.0406 6.02091 TIMING: 3613800 CPU: 10752.9, 0.00297036/step Wall: 10752.9, 0.00297036/step, 1.14376 hours remaining, 209.375000 MB of memory in use. ENERGY: 3613800 745.6755 2149.5354 1954.3793 112.4879 -206110.0838 17903.0066 0.0000 0.0000 34317.0912 -148927.9078 299.6997 -183244.9991 -148830.1883 300.6603 111.2658 144.7086 558536.3024 5.7630 5.7634 PRESSURE: 3614000 -139.765 -56.342 38.751 -56.3414 -116.987 -69.0526 38.7494 -69.051 -251.985 GPRESSURE: 3614000 -125.957 46.8417 109.202 -50.7093 -82.0918 -87.1841 -33.7871 -160.31 -201.128 PRESSAVG: 3614000 -47.5489 -14.7553 -20.9884 -14.7554 5.53862 -24.9086 -20.9884 -24.9085 55.9311 GPRESSAVG: 3614000 -47.5931 -14.6939 -22.7177 -14.1288 5.73936 -23.564 -18.5425 -26.5328 56.4789 TIMING: 3614000 CPU: 10753.5, 0.00293454/step Wall: 10753.5, 0.00293454/step, 1.1298 hours remaining, 209.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3614000 745.3545 2058.6083 1944.3350 102.3023 -205790.6155 17674.9741 0.0000 0.0000 34202.0973 -149062.9440 298.6954 -183265.0413 -148974.7234 300.2530 -169.5790 -136.3921 559321.7547 4.6402 4.8751 PRESSURE: 3614200 123.328 -143.08 126.124 -143.08 -106.653 70.2604 126.123 70.2584 -73.9318 GPRESSURE: 3614200 135.275 -136.577 91.9169 -161.126 -48.9852 111.4 38.6706 35.1282 -45.859 PRESSAVG: 3614200 -1.40767 12.3485 -36.0721 12.3485 -8.57553 -27.2052 -36.0721 -27.2052 11.6721 GPRESSAVG: 3614200 -1.79856 10.3798 -34.8533 13.0851 -8.83632 -28.1655 -36.5958 -26.6373 12.5068 TIMING: 3614200 CPU: 10754.1, 0.00295413/step Wall: 10754.1, 0.00295413/step, 1.13717 hours remaining, 209.375000 MB of memory in use. ENERGY: 3614200 744.5642 2132.3116 1952.4631 110.6107 -206434.6973 17834.3289 0.0000 0.0000 34383.4761 -149276.9427 300.2794 -183660.4188 -149176.3655 299.8367 -19.0856 13.4771 558098.0613 0.5630 0.6240 PRESSURE: 3614400 83.2307 -115.921 205.605 -115.922 -24.3864 247.831 205.606 247.832 92.7551 GPRESSURE: 3614400 105.169 -162.604 305.006 -157.371 57.9439 273.638 241.802 227.286 89.3141 PRESSAVG: 3614400 -11.8825 -40.6768 -6.75875 -40.6768 -8.68878 -24.5227 -6.75867 -24.5226 7.98041 GPRESSAVG: 3614400 -12.2372 -40.3466 -6.5118 -39.0335 -8.24134 -25.3872 -8.74661 -22.2959 8.05248 TIMING: 3614400 CPU: 10754.6, 0.00293263/step Wall: 10754.6, 0.00293263/step, 1.12874 hours remaining, 209.375000 MB of memory in use. ENERGY: 3614400 710.3784 2116.1570 1943.4097 121.2657 -206396.3582 17829.2856 0.0000 0.0000 34192.4950 -149483.3668 298.6116 -183675.8619 -149378.0079 299.0386 50.5331 84.1423 556603.1082 -4.1970 -4.1420 PRESSURE: 3614600 114.945 -23.8726 -51.3047 -23.8719 -15.5655 -89.8296 -51.3052 -89.8292 72.1114 GPRESSURE: 3614600 126.396 -29.2413 -74.9751 37.5757 12.1141 -66.0876 -68.0568 -157.037 129.425 PRESSAVG: 3614600 -36.3465 -24.8607 27.9217 -24.8607 -40.8276 -52.579 27.9217 -52.5788 54.0068 GPRESSAVG: 3614600 -35.151 -25.1162 28.8161 -24.0323 -40.336 -53.7425 29.0815 -53.5568 51.8967 TIMING: 3614600 CPU: 10755.2, 0.00295798/step Wall: 10755.2, 0.00295798/step, 1.13833 hours remaining, 209.375000 MB of memory in use. ENERGY: 3614600 762.4872 2090.8833 1951.4498 131.5639 -206462.6654 17923.2827 0.0000 0.0000 34286.6069 -149316.3915 299.4335 -183602.9985 -149218.6113 299.5466 57.1635 89.3116 557403.5587 -7.7225 -7.8634 PRESSURE: 3614800 32.3524 -61.3789 60.3629 -61.3787 67.8087 -207.024 60.3627 -207.022 83.5194 GPRESSURE: 3614800 69.4164 -59.4724 -30.4948 -150.844 120.549 -317.945 138.664 -180.87 94.1047 PRESSAVG: 3614800 40.1851 10.4608 -28.7907 10.4609 18.8265 -40.4413 -28.7907 -40.4414 -74.9056 GPRESSAVG: 3614800 39.7324 9.00696 -30.6783 8.59076 17.3062 -39.6937 -27.8362 -41.0839 -73.156 TIMING: 3614800 CPU: 10755.8, 0.00293898/step Wall: 10755.8, 0.00293898/step, 1.13086 hours remaining, 209.375000 MB of memory in use. ENERGY: 3614800 780.5129 2113.8416 1943.4094 105.5474 -206589.2252 18038.4636 0.0000 0.0000 34292.9160 -149314.5342 299.4886 -183607.4503 -149223.9029 299.2234 61.2268 94.6901 557618.8064 -5.2980 -5.3724 PRESSURE: 3615000 113.12 49.0507 57.1954 49.0508 -43.3077 -122.066 57.1936 -122.068 -304.925 GPRESSURE: 3615000 110.719 -62.5857 68.103 79.5567 -16.9102 -72.0828 -7.38182 -134.724 -233.231 PRESSAVG: 3615000 33.0352 -49.1297 -36.5559 -49.1297 1.31849 -37.8114 -36.5558 -37.8114 -29.855 GPRESSAVG: 3615000 33.2018 -48.5076 -38.3416 -48.414 2.14421 -37.2789 -35.3698 -35.4523 -30.8301 TIMING: 3615000 CPU: 10756.4, 0.00293905/step Wall: 10756.4, 0.00293905/step, 1.13072 hours remaining, 209.375000 MB of memory in use. ENERGY: 3615000 790.8940 2111.9227 1929.9939 118.9032 -206409.8849 17920.8846 0.0000 0.0000 34224.1004 -149313.1861 298.8876 -183537.2865 -149220.2389 299.4399 -78.3708 -46.4741 558194.7530 1.4996 1.5053 PRESSURE: 3615200 11.5398 61.9354 57.6817 61.9365 249.695 -111.449 57.6827 -111.45 -9.07498 GPRESSURE: 3615200 60.3501 40.6937 45.5082 169.277 212.675 -195.364 101.519 -39.634 72.2153 PRESSAVG: 3615200 56.8019 -34.4651 -36.293 -34.465 16.6423 34.2911 -36.293 34.291 -46.1775 GPRESSAVG: 3615200 57.0962 -31.3678 -33.6248 -38.5226 16.1275 36.99 -39.3778 31.9813 -46.1862 TIMING: 3615200 CPU: 10757, 0.0029674/step Wall: 10757, 0.0029674/step, 1.14146 hours remaining, 209.375000 MB of memory in use. ENERGY: 3615200 758.6067 2040.6081 1929.3690 117.9138 -206718.4820 18261.8775 0.0000 0.0000 34154.0233 -149456.0836 298.2756 -183610.1069 -149360.4074 299.0010 84.0533 115.0801 557730.2073 9.0889 9.0125 PRESSURE: 3615400 15.3511 81.481 -33.2 81.481 -13.9773 183.97 -33.1998 183.971 31.7663 GPRESSURE: 3615400 62.9483 91.036 -24.4718 183.298 9.1421 214.012 -28.716 211.752 61.8233 PRESSAVG: 3615400 -34.9515 -34.2094 36.7857 -34.2094 -35.4209 16.3163 36.7858 16.3162 36.3218 GPRESSAVG: 3615400 -35.789 -34.873 35.1825 -31.8188 -35.2357 13.6238 37.0508 16.9779 37.309 TIMING: 3615400 CPU: 10757.6, 0.00295577/step Wall: 10757.6, 0.00295577/step, 1.13682 hours remaining, 209.375000 MB of memory in use. ENERGY: 3615400 704.7195 2098.6570 1964.6350 108.3737 -206396.6792 17894.3110 0.0000 0.0000 34353.7195 -149272.2637 300.0196 -183625.9831 -149182.0461 298.9696 11.0467 44.6379 558688.6431 -11.3502 -11.2386 PRESSURE: 3615600 235.695 36.3399 -22.151 36.3406 82.3223 -57.1283 -22.1508 -57.1293 31.0313 GPRESSURE: 3615600 286.356 41.4361 -100.768 4.62264 157.21 45.4686 11.9803 -20.0948 -2.05737 PRESSAVG: 3615600 84.0341 -26.3765 38.422 -26.3765 6.62328 13.5611 38.4221 13.5611 -33.7471 GPRESSAVG: 3615600 85.1661 -26.3899 38.0672 -27.0134 6.16523 15.1668 40.0681 13.1754 -34.3309 TIMING: 3615600 CPU: 10758.2, 0.00296827/step Wall: 10758.2, 0.00296827/step, 1.14146 hours remaining, 209.375000 MB of memory in use. ENERGY: 3615600 759.3802 2101.6680 1967.1586 111.2305 -206264.9260 17935.6713 0.0000 0.0000 34196.4337 -149193.3838 298.6460 -183389.8175 -149096.6073 299.0717 116.3495 147.1696 558222.6107 18.9701 19.0001 PRESSURE: 3615800 247.125 189.511 -45.8083 189.511 -188.082 50.4218 -45.808 50.4231 135.57 GPRESSURE: 3615800 293.574 141.907 -52.1036 190.933 -109.291 53.94 53.835 -4.14276 112.487 PRESSAVG: 3615800 16.501 56.9607 -41.7136 56.9607 8.97606 54.7311 -41.7135 54.7312 2.1296 GPRESSAVG: 3615800 15.9577 55.584 -40.7234 57.2386 8.97015 54.013 -42.9544 53.9739 2.93823 TIMING: 3615800 CPU: 10758.8, 0.00297459/step Wall: 10758.8, 0.00297459/step, 1.14373 hours remaining, 209.375000 MB of memory in use. ENERGY: 3615800 781.2950 2048.9207 1983.3159 117.6854 -206357.3910 17965.4156 0.0000 0.0000 34398.4800 -149062.2782 300.4105 -183460.7582 -148964.8576 299.6875 64.8709 98.9233 557860.3787 9.2022 9.2887 PRESSURE: 3616000 132.522 -199.472 -1.44815 -199.472 112.119 -249.496 -1.44682 -249.495 286.652 GPRESSURE: 3616000 78.9795 -192.16 -63.3798 -243.268 179.458 -242.939 51.2515 -310.816 376.83 PRESSAVG: 3616000 -10.033 19.931 -44.1122 19.931 -2.58501 -8.55992 -44.1122 -8.55999 35.6159 GPRESSAVG: 3616000 -10.6609 19.3438 -43.9801 22.4089 -1.29856 -9.09811 -44.4639 -8.16041 35.2546 TIMING: 3616000 CPU: 10759.4, 0.00298324/step Wall: 10759.4, 0.00298324/step, 1.14689 hours remaining, 209.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3616000 707.6307 2114.2994 1985.2377 115.7486 -206511.0149 18045.5969 0.0000 0.0000 34349.4261 -149193.0755 299.9821 -183542.5016 -149101.3951 300.1524 177.0976 211.7559 556974.6727 7.6660 7.7650 PRESSURE: 3616200 55.3741 -128.906 -71.3165 -128.905 70.45 113.518 -71.3161 113.518 -58.0395 GPRESSURE: 3616200 77.5038 -104.476 -117.759 -84.0412 53.742 74.8886 -18.871 177.362 45.845 PRESSAVG: 3616200 -45.1916 -34.7572 -62.5414 -34.7572 24.8739 -39.0451 -62.5414 -39.045 9.23955 GPRESSAVG: 3616200 -44.5622 -33.4158 -64.0997 -35.2742 24.1741 -39.0812 -61.1476 -38.164 8.80097 TIMING: 3616200 CPU: 10760, 0.00292923/step Wall: 10760, 0.00292923/step, 1.12597 hours remaining, 209.375000 MB of memory in use. ENERGY: 3616200 780.5396 2113.8395 1964.4754 115.0475 -206629.0180 18095.7145 0.0000 0.0000 34318.1037 -149241.2978 299.7085 -183559.4015 -149145.2762 298.9129 22.5949 59.0303 557413.6718 -3.6927 -3.8624 LDB: ============= START OF LOAD BALANCING ============== 10763.5 LDB: ============== END OF LOAD BALANCING =============== 10763.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10763.5 LDB: ============= START OF LOAD BALANCING ============== 10763.8 LDB: Largest compute 4796 load 0.025802 is 21.8% of average load 0.118249 LDB: Average compute 0.001737 is 1.5% of average load 0.118249 LDB: TIME 10763.8 LOAD: AVG 0.118249 MAX 0.196276 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.801 MB LDB: TIME 10763.8 LOAD: AVG 0.118249 MAX 0.196276 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.801 MB LDB: TIME 10763.8 LOAD: AVG 0.118249 MAX 0.196276 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.801 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10763.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10763.8 PRESSURE: 3616400 -4.2079 22.9823 30.3607 22.9831 -335.961 22.9661 30.3614 22.9664 199.2 GPRESSURE: 3616400 -20.3538 28.8504 39.315 78.2817 -268.611 32.8277 134.406 -46.9827 247.269 PRESSAVG: 3616400 49.9081 22.4101 -24.2067 22.4101 8.89828 -2.84438 -24.2067 -2.84439 -51.8081 GPRESSAVG: 3616400 51.2061 21.4258 -23.1677 23.2343 7.45821 -3.74667 -25.9199 -2.36434 -51.7655 TIMING: 3616400 CPU: 10760.6, 0.00298889/step Wall: 10760.6, 0.00298889/step, 1.14873 hours remaining, 208.023438 MB of memory in use. ENERGY: 3616400 731.1118 2096.3171 1965.0149 136.0187 -206092.7175 17715.7629 0.0000 0.0000 34330.2131 -149118.2791 299.8143 -183448.4922 -149023.1173 299.6371 -46.9897 -13.8988 556295.0620 2.3328 2.2996 PRESSURE: 3616600 -219.847 -9.42621 -2.49124 -9.42743 -108.059 4.68137 -2.49125 4.68318 -8.32798 GPRESSURE: 3616600 -167.522 -28.2728 -12.8799 16.399 -51.7288 53.4938 79.5194 -76.7335 -15.3781 PRESSAVG: 3616600 16.0735 31.4606 72.0139 31.4606 64.7567 14.577 72.0139 14.5771 -32.2123 GPRESSAVG: 3616600 15.4446 31.1974 71.5494 30.4507 65.3663 15.6697 73.193 12.7843 -32.4479 TIMING: 3616600 CPU: 10761.2, 0.00293504/step Wall: 10761.2, 0.00293504/step, 1.12787 hours remaining, 208.023438 MB of memory in use. ENERGY: 3616600 754.5324 2089.3025 1944.1028 121.6649 -205944.1343 17577.8522 0.0000 0.0000 34188.8193 -149267.8601 298.5795 -183456.6794 -149170.4137 299.1267 -112.0780 -78.2097 557521.7748 16.2060 16.1210 PRESSURE: 3616800 -0.442186 -153.105 -107.706 -153.105 -151.729 43.0238 -107.707 43.0241 -20.2293 GPRESSURE: 3616800 16.5651 -221.612 -12.495 -77.8512 -94.0082 14.1948 -68.339 157.242 0.913535 PRESSAVG: 3616800 18.5926 23.8659 21.8193 23.8659 -8.50007 -8.5014 21.8192 -8.5013 -0.0252606 GPRESSAVG: 3616800 18.4911 23.0012 21.7608 24.1698 -8.40233 -10.2362 21.5281 -5.30929 -0.244357 TIMING: 3616800 CPU: 10761.7, 0.00294471/step Wall: 10761.7, 0.00294471/step, 1.13142 hours remaining, 208.023438 MB of memory in use. ENERGY: 3616800 758.5788 2060.9423 1930.9286 125.1577 -206429.0739 17872.2123 0.0000 0.0000 34336.3731 -149344.8810 299.8681 -183681.2541 -149247.3063 298.1458 -57.4668 -25.5098 557316.5526 3.3558 3.2815 PRESSURE: 3617000 150.321 -45.2815 8.15074 -45.2825 95.3317 55.5563 8.15131 55.5555 305.789 GPRESSURE: 3617000 173.693 -105.413 40.2533 11.7317 135.603 72.9881 -48.9418 101.136 341.293 PRESSAVG: 3617000 -62.8252 -26.7545 37.3915 -26.7545 5.85459 45.1994 37.3915 45.1995 63.1117 GPRESSAVG: 3617000 -62.7191 -24.0019 36.4838 -26.8834 5.50505 47.1802 37.0589 41.6857 63.3872 TIMING: 3617000 CPU: 10762.3, 0.00292195/step Wall: 10762.3, 0.00292195/step, 1.12251 hours remaining, 208.023438 MB of memory in use. ENERGY: 3617000 734.5214 2063.1914 1976.8762 124.6688 -206545.2604 18050.0331 0.0000 0.0000 34091.8234 -149504.1461 297.7324 -183595.9695 -149408.8648 298.7192 183.8138 216.8631 556970.2626 2.0471 2.0577 PRESSURE: 3617200 26.1124 52.7851 -16.8797 52.7857 -324.603 1.8533 -16.8793 1.85355 -7.36005 GPRESSURE: 3617200 78.6933 143.894 -160.175 41.922 -298.392 26.3597 53.2871 -21.3707 18.9917 PRESSAVG: 3617200 2.19731 1.04809 -16.9405 1.04812 -49.5445 28.1152 -16.9405 28.1152 6.96234 GPRESSAVG: 3617200 0.970496 -1.12901 -17.7505 0.0902006 -49.2388 25.7246 -16.0266 29.8508 7.68735 TIMING: 3617200 CPU: 10762.9, 0.00295574/step Wall: 10762.9, 0.00295574/step, 1.13533 hours remaining, 208.023438 MB of memory in use. ENERGY: 3617200 739.3242 2101.3406 1988.6498 127.2248 -206408.9554 17680.2319 0.0000 0.0000 34148.5719 -149623.6123 298.2280 -183772.1842 -149524.6324 298.3655 -101.9500 -66.9024 556555.6145 -13.4616 -13.5270 PRESSURE: 3617400 68.5163 -40.0958 12.7806 -40.0956 -64.9984 -106.953 12.7812 -106.954 -119.813 GPRESSURE: 3617400 92.9403 -84.9662 7.40146 -21.9427 -32.3244 20.7221 -2.64272 -125.043 -82.8646 PRESSAVG: 3617400 -14.0557 -32.1647 3.42904 -32.1647 -14.5823 -21.6793 3.42898 -21.6793 63.172 GPRESSAVG: 3617400 -14.2987 -30.6801 4.56194 -30.7951 -14.2874 -18.9671 3.55176 -19.9137 63.2542 TIMING: 3617400 CPU: 10763.5, 0.00293765/step Wall: 10763.5, 0.00293765/step, 1.12822 hours remaining, 208.023438 MB of memory in use. ENERGY: 3617400 735.5535 2022.9279 1962.6655 107.8264 -206508.2870 17923.7635 0.0000 0.0000 34141.5049 -149614.0452 298.1663 -183755.5502 -149514.3294 297.5842 -38.7649 -7.4163 556249.3099 11.5114 11.5560 PRESSURE: 3617600 -25.9104 98.3171 -25.712 98.3176 34.1926 109.16 -25.7108 109.159 251.858 GPRESSURE: 3617600 48.546 139.955 4.10427 50.4406 40.8375 97.7858 -36.1231 108.074 264.833 PRESSAVG: 3617600 42.8468 -39.8171 9.72784 -39.8171 -42.0419 -33.4556 9.72787 -33.4557 0.777729 GPRESSAVG: 3617600 43.6778 -39.0777 9.16716 -43.3667 -42.6811 -33.2967 7.4209 -34.958 1.11374 TIMING: 3617600 CPU: 10764.1, 0.00294011/step Wall: 10764.1, 0.00294011/step, 1.129 hours remaining, 208.023438 MB of memory in use. ENERGY: 3617600 743.7422 2041.7902 1951.4240 115.8220 -206337.7793 17617.9260 0.0000 0.0000 34286.9328 -149580.1421 299.4363 -183867.0749 -149490.9791 297.9744 86.7134 118.0722 552210.4319 0.5275 0.7035 PRESSURE: 3617800 -235.779 -19.4798 134.35 -19.4803 -271.889 8.60913 134.349 8.60896 -87.5384 GPRESSURE: 3617800 -204.621 -39.7783 191.813 47.0723 -295.195 69.3953 181.202 -50.2518 -9.43691 PRESSAVG: 3617800 -45.1259 -3.37875 -35.7489 -3.37876 65.7501 -25.8161 -35.749 -25.8162 5.98981 GPRESSAVG: 3617800 -44.9078 -4.0976 -35.0387 -0.715687 65.7072 -26.3265 -35.0933 -25.9091 6.11644 TIMING: 3617800 CPU: 10764.7, 0.00295267/step Wall: 10764.7, 0.00295267/step, 1.13366 hours remaining, 208.023438 MB of memory in use. ENERGY: 3617800 745.1766 2137.9102 1905.8341 117.6086 -206332.8586 17520.0383 0.0000 0.0000 34284.0866 -149622.2042 299.4115 -183906.2908 -149527.1700 298.9876 -198.4022 -169.7510 555928.0368 8.8713 8.9720 PRESSURE: 3618000 -140.225 47.038 -33.8279 47.0391 -278.092 -53.0504 -33.8261 -53.052 -229.318 GPRESSURE: 3618000 -137.321 33.3043 -138.774 94.5024 -214.934 -71.2628 22.7814 1.03796 -196.24 PRESSAVG: 3618000 -74.6398 -20.5182 39.7383 -20.5182 43.9865 -13.9806 39.7384 -13.9807 39.2078 GPRESSAVG: 3618000 -73.6458 -19.786 39.1328 -21.4803 44.5703 -14.8834 39.6555 -13.8028 38.7326 TIMING: 3618000 CPU: 10765.3, 0.00293157/step Wall: 10765.3, 0.00293157/step, 1.1254 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3618000 724.3719 2104.7975 1933.4408 115.3033 -205810.0558 17405.0829 0.0000 0.0000 33968.2792 -149558.7801 296.6534 -183527.0593 -149465.2969 298.3515 -215.8784 -182.8318 557910.9489 2.8515 3.2190 PRESSURE: 3618200 252.176 -26.2493 -46.9421 -26.2491 204.374 -153.516 -46.9417 -153.517 -16.1842 GPRESSURE: 3618200 301.671 -10.8689 -127.406 18.0831 249.2 -76.4392 12.1061 -147.828 -23.4329 PRESSAVG: 3618200 44.3845 -9.60836 17.7124 -9.6083 0.267765 4.57263 17.7124 4.57255 -79.5253 GPRESSAVG: 3618200 43.0788 -9.30445 18.9476 -9.5095 1.67581 6.85595 17.5017 0.976649 -80.0828 TIMING: 3618200 CPU: 10765.9, 0.00294719/step Wall: 10765.9, 0.00294719/step, 1.13123 hours remaining, 208.023438 MB of memory in use. ENERGY: 3618200 759.1327 2040.0470 1941.5733 121.0892 -206874.1859 18142.2128 0.0000 0.0000 34235.7121 -149634.4188 298.9890 -183870.1309 -149529.9896 297.8538 146.7885 175.8126 555356.9330 -11.6243 -11.7760 PRESSURE: 3618400 176.12 -20.2394 -130.711 -20.2392 119.375 -44.2145 -130.713 -44.2136 264.655 GPRESSURE: 3618400 259.433 -45.4944 -69.8255 -10.3465 130.032 27.6445 -198.111 -34.118 266.979 PRESSAVG: 3618400 38.8543 4.85821 38.5955 4.85828 -11.0332 -38.3753 38.5953 -38.3751 16.2697 GPRESSAVG: 3618400 38.5017 2.7276 38.0845 6.05744 -11.2546 -40.5344 38.1973 -35.7258 17.1679 TIMING: 3618400 CPU: 10766.4, 0.00293201/step Wall: 10766.4, 0.00293201/step, 1.12524 hours remaining, 208.023438 MB of memory in use. ENERGY: 3618400 776.3047 2064.8657 1943.9357 105.1952 -207000.7304 18309.1820 0.0000 0.0000 34242.1612 -149559.0858 299.0453 -183801.2470 -149461.1692 298.4991 186.7168 218.8144 555388.7354 14.6969 14.8050 PRESSURE: 3618600 94.4439 -102.403 -110.394 -102.402 117.49 -249.243 -110.394 -249.242 303.502 GPRESSURE: 3618600 182.088 -154.163 -129.025 -185.933 122.855 -256.271 -67.0774 -183.666 305.523 PRESSAVG: 3618600 5.826 -37.0456 -28.8832 -37.0457 -67.3599 -6.67857 -28.8832 -6.67867 27.0304 GPRESSAVG: 3618600 4.55505 -35.7861 -28.3468 -38.2158 -67.8112 -5.81372 -27.9029 -6.4987 28.2046 TIMING: 3618600 CPU: 10767, 0.00296912/step Wall: 10767, 0.00296911/step, 1.13932 hours remaining, 208.023438 MB of memory in use. ENERGY: 3618600 756.3439 2146.6277 1913.5282 106.3779 -206882.3450 18129.3342 0.0000 0.0000 34315.7294 -149514.4038 299.6878 -183830.1332 -149418.6481 299.2272 171.8119 203.4886 555843.6486 -11.5012 -11.6838 PRESSURE: 3618800 -107.345 -26.8847 167.349 -26.8851 -62.918 -41.5099 167.35 -41.509 -174.537 GPRESSURE: 3618800 -75.8106 -1.75822 101.628 31.3794 -22.4327 -33.5658 113.371 -98.1283 -139.648 PRESSAVG: 3618800 -10.7562 -13.9717 5.02768 -13.9718 32.2763 -41.4176 5.02769 -41.4176 -67.2951 GPRESSAVG: 3618800 -10.3939 -15.7032 6.18637 -14.0825 32.8511 -42.8259 5.12095 -40.1096 -68.3823 TIMING: 3618800 CPU: 10767.6, 0.00296912/step Wall: 10767.6, 0.00296912/step, 1.13915 hours remaining, 208.023438 MB of memory in use. ENERGY: 3618800 726.4627 2028.1866 1939.9602 116.5093 -205861.0370 17477.1101 0.0000 0.0000 34063.6593 -149509.1488 297.4864 -183572.8080 -149410.3994 298.4590 -114.9331 -79.2971 556873.1433 -15.2583 -15.3083 PRESSURE: 3619000 -2.12778 76.5917 -12.5602 76.592 -42.8363 -94.169 -12.5624 -94.1671 -96.979 GPRESSURE: 3619000 34.8408 68.066 -33.1431 25.1606 -2.26418 -107.286 -1.42935 -72.6696 -68.3188 PRESSAVG: 3619000 4.01944 -0.561984 65.3172 -0.561978 27.5206 -21.086 65.3172 -21.0861 8.85499 GPRESSAVG: 3619000 3.97812 1.34038 66.4326 1.0232 26.85 -19.9052 63.5672 -22.762 8.83193 TIMING: 3619000 CPU: 10768.2, 0.00295615/step Wall: 10768.2, 0.00295615/step, 1.13401 hours remaining, 208.023438 MB of memory in use. ENERGY: 3619000 757.4931 2077.6674 1939.4809 107.7251 -206381.1754 17983.2609 0.0000 0.0000 34139.9069 -149375.6411 298.1523 -183515.5480 -149271.9173 298.1614 -47.3143 -11.9141 558749.9823 13.4650 13.2200 PRESSURE: 3619200 -158.443 -97.7703 -35.4919 -97.7708 223.718 46.1988 -35.4926 46.1985 -162.698 GPRESSURE: 3619200 -139.353 -139.959 12.5235 -16.461 264.289 90.9423 -39.4721 -3.3769 -114.893 PRESSAVG: 3619200 -1.39138 -57.3836 30.4624 -57.3836 40.3113 42.6805 30.4623 42.6806 -19.6203 GPRESSAVG: 3619200 -0.422605 -57.0927 26.6484 -59.0216 39.6978 42.0604 32.7919 42.0464 -20.3697 TIMING: 3619200 CPU: 10768.8, 0.00295832/step Wall: 10768.8, 0.00295832/step, 1.13468 hours remaining, 208.023438 MB of memory in use. ENERGY: 3619200 697.3456 2070.0075 1941.1919 111.5286 -206125.7308 17725.5134 0.0000 0.0000 34113.2248 -149466.9191 297.9193 -183580.1438 -149374.3050 298.8945 -32.4743 3.3475 557764.2267 6.4332 6.3018 PRESSURE: 3619400 85.615 -70.1083 -42.5992 -70.1073 -112.434 -31.3739 -42.5992 -31.3757 129.424 GPRESSURE: 3619400 43.5254 -61.3492 -15.9791 -100.132 -19.2659 -27.4048 -45.4449 19.8545 174.933 PRESSAVG: 3619400 -9.09142 -66.6495 31.3401 -66.6495 -9.38725 35.4587 31.34 35.4587 9.13553 GPRESSAVG: 3619400 -9.90548 -67.9793 33.7147 -65.9743 -9.01312 33.4665 30.669 36.6772 9.88359 TIMING: 3619400 CPU: 10769.4, 0.00295123/step Wall: 10769.4, 0.00295123/step, 1.1318 hours remaining, 208.023438 MB of memory in use. ENERGY: 3619400 757.1754 2087.2612 1919.4188 116.4244 -206405.0912 17919.2781 0.0000 0.0000 34100.1013 -149505.4320 297.8047 -183605.5333 -149407.3944 298.2934 34.2017 66.3974 556983.9473 -3.1144 -3.0117 PRESSURE: 3619600 -124.651 5.26853 213.851 5.2684 84.8294 69.3015 213.85 69.3027 -123.466 GPRESSURE: 3619600 -54.4733 -112.131 212.319 -2.30664 30.887 94.1517 132.743 124.215 -40.3334 PRESSAVG: 3619600 -6.61435 -15.5523 38.6121 -15.5523 -14.802 11.1093 38.6122 11.1094 33.0585 GPRESSAVG: 3619600 -5.25845 -14.3887 37.1191 -18.3922 -14.5877 12.4088 39.419 9.65047 31.6023 TIMING: 3619600 CPU: 10770, 0.00295633/step Wall: 10770, 0.00295632/step, 1.13359 hours remaining, 208.023438 MB of memory in use. ENERGY: 3619600 783.8239 2084.6839 1949.6222 124.0759 -206536.3093 17954.3757 0.0000 0.0000 34324.4163 -149315.3114 299.7637 -183639.7277 -149219.7395 298.5155 -54.4292 -21.3066 557798.2603 3.8807 3.9187 PRESSURE: 3619800 -19.3976 -71.0307 -12.6502 -71.0306 -351.997 154.46 -12.6512 154.46 -103.205 GPRESSURE: 3619800 -11.8113 -118.351 9.57371 -92.9507 -311.982 163.207 -19.306 75.5881 -49.9175 PRESSAVG: 3619800 -7.04003 -29.1102 8.19097 -29.1101 22.7441 3.31291 8.191 3.31292 2.50172 GPRESSAVG: 3619800 -7.86637 -31.5734 6.8874 -26.1294 23.2551 3.83594 8.07717 5.11102 3.22317 TIMING: 3619800 CPU: 10770.6, 0.00297002/step Wall: 10770.6, 0.00297002/step, 1.13867 hours remaining, 208.023438 MB of memory in use. ENERGY: 3619800 756.7481 2113.0049 1944.4125 122.2583 -205988.3052 17615.5889 0.0000 0.0000 34282.7995 -149153.4931 299.4002 -183436.2926 -149055.4668 299.5010 -158.1998 -124.5704 558584.5734 6.0686 6.2040 PRESSURE: 3620000 -337.306 126.523 -6.72219 126.524 -605.45 -98.9544 -6.72165 -98.9549 -256.672 GPRESSURE: 3620000 -280.755 114.481 13.9897 127.006 -592.659 -81.352 -71.589 -108.464 -227.389 PRESSAVG: 3620000 -17.3324 9.81487 -4.26171 9.81484 -71.0312 55.7953 -4.26165 55.7953 87.4329 GPRESSAVG: 3620000 -16.3704 12.6437 -1.70569 9.00908 -71.1723 54.0211 -5.76216 57.1138 87.0932 TIMING: 3620000 CPU: 10771.2, 0.00299278/step Wall: 10771.2, 0.00299278/step, 1.14723 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3620000 732.2755 2071.3995 1943.7349 119.7953 -205177.8113 17154.9213 0.0000 0.0000 34071.5443 -149084.1406 297.5553 -183155.6849 -148996.2902 299.5834 -399.8091 -366.9342 560138.0792 -0.3102 -0.1499 PRESSURE: 3620200 -140.944 41.6279 86.5034 41.6272 -286.43 58.119 86.5032 58.1188 -440.309 GPRESSURE: 3620200 -127.762 56.4304 110.334 150.547 -284.701 -11.8613 127.004 97.5317 -343.347 PRESSAVG: 3620200 -54.3139 6.62864 75.3322 6.62862 -29.0596 -7.75821 75.3321 -7.75815 66.3228 GPRESSAVG: 3620200 -54.1708 6.64034 75.0336 7.33652 -30.0207 -6.50031 76.9211 -7.98958 67.0854 TIMING: 3620200 CPU: 10771.8, 0.00296468/step Wall: 10771.8, 0.00296468/step, 1.13629 hours remaining, 208.023438 MB of memory in use. ENERGY: 3620200 740.2666 2092.9201 1947.8903 106.9360 -205569.1009 17366.4881 0.0000 0.0000 34134.6290 -149179.9708 298.1062 -183314.5998 -149086.6469 298.8210 -289.2277 -251.9367 557909.8895 -5.6836 -5.7020 LDB: ============= START OF LOAD BALANCING ============== 10775.3 LDB: ============== END OF LOAD BALANCING =============== 10775.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10775.3 LDB: ============= START OF LOAD BALANCING ============== 10775.6 LDB: Largest compute 4796 load 0.025752 is 21.8% of average load 0.118200 LDB: Average compute 0.001742 is 1.5% of average load 0.118200 LDB: TIME 10775.6 LOAD: AVG 0.1182 MAX 0.194717 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.109 MB LDB: TIME 10775.6 LOAD: AVG 0.1182 MAX 0.194717 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.109 MB LDB: TIME 10775.6 LOAD: AVG 0.1182 MAX 0.194717 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.109 MB LDB: ============== END OF LOAD BALANCING =============== 10775.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10775.6 PRESSURE: 3620400 -142.623 100.008 6.84042 100.009 -76.9545 -120.261 6.83953 -120.26 -90.6956 GPRESSURE: 3620400 -134.083 118.402 -4.27805 -14.2487 -68.6105 -194.028 14.6696 -122.938 -5.35244 PRESSAVG: 3620400 -30.4964 74.3149 4.21278 74.3148 -11.0593 9.96165 4.21278 9.96175 -0.0564829 GPRESSAVG: 3620400 -30.8384 73.1625 4.03321 75.6499 -10.5088 9.45849 4.11028 7.35506 0.117186 TIMING: 3620400 CPU: 10772.4, 0.00300189/step Wall: 10772.4, 0.00300189/step, 1.15039 hours remaining, 206.675781 MB of memory in use. ENERGY: 3620400 724.7023 2105.0023 1928.1125 107.9590 -205852.1635 17508.1431 0.0000 0.0000 34329.8877 -149148.3566 299.8114 -183478.2443 -149057.1246 299.3834 -103.4244 -69.3486 557437.6275 -13.8707 -13.7433 PRESSURE: 3620600 191.656 -43.6748 351.102 -43.6748 -103.716 2.37525 351.101 2.37604 -24.6384 GPRESSURE: 3620600 190.853 -4.28261 273.916 45.5687 21.5492 4.00669 301.655 27.236 -60.1074 PRESSAVG: 3620600 23.6461 10.7496 18.527 10.7496 -101.385 32.6026 18.527 32.6026 73.6479 GPRESSAVG: 3620600 23.8091 10.411 18.4499 10.4634 -101.496 34.225 19.1853 31.7668 73.4503 TIMING: 3620600 CPU: 10773, 0.00294505/step Wall: 10773, 0.00294505/step, 1.12845 hours remaining, 206.675781 MB of memory in use. ENERGY: 3620600 736.3730 2052.8995 1933.6834 123.6894 -205915.3095 17836.2604 0.0000 0.0000 34158.5437 -149073.8601 298.3151 -183232.4038 -148978.4719 298.9674 21.1007 50.7649 558485.3932 -1.3637 -1.4122 PRESSURE: 3620800 -417.905 22.0788 130.436 22.0782 -112.374 -44.9973 130.436 -44.9971 -225.603 GPRESSURE: 3620800 -386.654 92.9505 156.357 12.4128 -79.7865 -48.5712 76.7871 41.3915 -190.14 PRESSAVG: 3620800 -0.73224 57.6814 22.4591 57.6814 -43.2164 31.6308 22.4591 31.6308 40.3768 GPRESSAVG: 3620800 -0.652167 57.5894 21.3163 56.5924 -44.7389 29.6846 23.27 33.4121 41.7343 TIMING: 3620800 CPU: 10773.6, 0.00293454/step Wall: 10773.6, 0.00293454/step, 1.12426 hours remaining, 206.675781 MB of memory in use. ENERGY: 3620800 775.9126 2053.8227 1935.7077 112.8841 -206012.9093 17632.8870 0.0000 0.0000 34408.0581 -149093.6371 300.4941 -183501.6952 -148992.9636 299.6927 -251.9604 -218.8601 559359.3808 -1.1906 -1.2189 PRESSURE: 3621000 -159.485 61.6371 -53.3505 61.6379 -49.3895 126.93 -53.3494 126.929 -213.559 GPRESSURE: 3621000 -146.197 98.6461 -121.228 42.3181 34.6833 91.4515 -42.5751 226.691 -211.106 PRESSAVG: 3621000 -29.5205 22.0335 11.6431 22.0336 86.5836 -11.441 11.6431 -11.441 -21.7909 GPRESSAVG: 3621000 -29.475 22.1063 10.0562 21.8627 87.4559 -10.2352 10.5584 -12.1496 -22.0808 TIMING: 3621000 CPU: 10774.1, 0.0029319/step Wall: 10774.1, 0.0029319/step, 1.12308 hours remaining, 206.675781 MB of memory in use. ENERGY: 3621000 715.3392 2094.8504 1966.1508 120.8491 -205817.6526 17621.1177 0.0000 0.0000 34250.8747 -149048.4706 299.1214 -183299.3452 -148948.2627 300.0188 -140.8112 -107.5400 559259.1259 11.7574 11.9667 PRESSURE: 3621200 86.9808 67.7518 20.9616 67.7504 212.547 -159.364 20.9602 -159.365 -66.6414 GPRESSURE: 3621200 185.162 129.969 -21.9998 -26.2864 259.985 -224.34 -24.3529 -196.696 -101.394 PRESSAVG: 3621200 -49.159 51.177 16.0408 51.177 -6.623 -28.3775 16.0408 -28.3775 79.2848 GPRESSAVG: 3621200 -48.273 51.602 17.624 52.5586 -6.45805 -27.6288 13.665 -28.1607 78.0696 TIMING: 3621200 CPU: 10774.7, 0.00294115/step Wall: 10774.7, 0.00294115/step, 1.12646 hours remaining, 206.675781 MB of memory in use. ENERGY: 3621200 708.5496 2051.6053 1952.4864 107.0634 -206089.0153 18022.2221 0.0000 0.0000 34265.5311 -148981.5573 299.2494 -183247.0884 -148891.2677 299.5137 77.6287 114.5843 557960.1164 7.8342 7.7795 PRESSURE: 3621400 19.1588 42.7925 59.7713 42.7921 35.1498 -70.279 59.771 -70.2799 -94.0353 GPRESSURE: 3621400 69.4333 -6.17807 0.493721 92.1377 62.4272 -6.45458 105.21 -43.8234 -73.5638 PRESSAVG: 3621400 -28.8216 10.8312 34.6366 10.8312 35.016 32.0631 34.6366 32.063 48.1423 GPRESSAVG: 3621400 -29.1229 11.3333 35.1329 10.5784 35.1746 33.073 37.9469 31.4811 49.2705 TIMING: 3621400 CPU: 10775.3, 0.00293795/step Wall: 10775.3, 0.00293795/step, 1.12507 hours remaining, 206.675781 MB of memory in use. ENERGY: 3621400 768.3607 2101.0663 1916.6943 112.8317 -205846.1915 17654.2914 0.0000 0.0000 34382.0951 -148910.8520 300.2674 -183292.9471 -148802.6407 300.3183 -13.2422 19.4322 558979.1758 18.1122 18.4408 PRESSURE: 3621600 -99.2199 22.8116 -72.1953 22.8123 1.32467 111.765 -72.1956 111.766 164.606 GPRESSURE: 3621600 -91.9955 52.6909 -66.8712 30.8167 29.1597 62.3587 -56.4756 106.721 239.924 PRESSAVG: 3621600 -17.973 -39.3547 -8.78155 -39.3546 -1.43331 -10.075 -8.78147 -10.075 20.7599 GPRESSAVG: 3621600 -18.8484 -39.9435 -10.3192 -39.5541 -0.621051 -10.5251 -7.94207 -8.82233 20.5726 TIMING: 3621600 CPU: 10775.9, 0.00294401/step Wall: 10775.9, 0.00294401/step, 1.12723 hours remaining, 206.675781 MB of memory in use. ENERGY: 3621600 752.7153 2028.4628 1927.2369 120.8314 -206130.5631 17904.0322 0.0000 0.0000 34464.2940 -148932.9905 300.9853 -183397.2845 -148839.5261 300.2432 22.2369 59.0293 557268.6123 0.4512 0.3677 PRESSURE: 3621800 30.2511 -124.103 4.0829 -124.102 -2.8186 117.698 4.0823 117.696 81.2211 GPRESSURE: 3621800 -15.6997 -143.418 61.6777 -127.953 17.7473 81.8699 -83.5729 126.19 206.414 PRESSAVG: 3621800 -107.302 1.02742 32.0697 1.02732 67.982 23.5058 32.0697 23.5058 40.542 GPRESSAVG: 3621800 -106.699 1.82669 33.9541 0.0400886 67.3815 24.879 30.1726 24.1139 40.3552 TIMING: 3621800 CPU: 10776.5, 0.00293729/step Wall: 10776.5, 0.00293729/step, 1.12449 hours remaining, 206.675781 MB of memory in use. ENERGY: 3621800 738.7467 2000.1218 1917.4490 108.2949 -205761.8282 17711.2203 0.0000 0.0000 34513.2099 -148772.7855 301.4124 -183285.9954 -148672.2153 300.1457 36.2179 69.4873 557377.2449 0.4073 0.3459 PRESSURE: 3622000 -230.158 -105.728 15.7952 -105.727 -199.892 189.139 15.794 189.138 113.849 GPRESSURE: 3622000 -242.521 -57.625 53.2988 -123.98 -100.707 244.963 -12.4914 168.52 115.186 PRESSAVG: 3622000 -117.243 -50.3886 -7.45015 -50.3886 51.151 -18.2363 -7.45013 -18.2362 36.4435 GPRESSAVG: 3622000 -117.374 -52.9038 -8.1625 -50.3666 51.6007 -18.6462 -8.97764 -19.2549 35.6763 TIMING: 3622000 CPU: 10777.1, 0.00296644/step Wall: 10777.1, 0.00296644/step, 1.13549 hours remaining, 206.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3622000 746.2678 2064.7633 1943.3777 113.4282 -205747.1488 17583.3321 0.0000 0.0000 34410.2381 -148885.7415 300.5132 -183295.9796 -148782.2085 300.7045 -105.4004 -76.0141 557798.5884 -9.8828 -10.0322 PRESSURE: 3622200 -130.404 86.6212 -151.683 86.621 65.4816 59.7696 -151.683 59.7702 -28.387 GPRESSURE: 3622200 -84.8465 64.4024 -138.411 74.4424 84.4102 65.8233 -209.899 71.2279 7.49239 PRESSAVG: 3622200 0.253409 -9.22443 -48.4703 -9.22438 -3.19085 17.9455 -48.4703 17.9454 -0.710255 GPRESSAVG: 3622200 -0.763222 -8.56141 -48.2081 -7.09466 -3.7022 18.1194 -48.1263 17.0698 0.55921 TIMING: 3622200 CPU: 10777.7, 0.00295892/step Wall: 10777.7, 0.00295892/step, 1.13244 hours remaining, 206.675781 MB of memory in use. ENERGY: 3622200 754.0173 2110.6098 1937.9747 105.4146 -206145.6130 17823.1598 0.0000 0.0000 34549.2575 -148865.1792 301.7273 -183414.4367 -148762.3615 300.0242 -31.1033 2.3520 558839.1844 -1.2159 -1.3021 PRESSURE: 3622400 152.929 114.872 17.1669 114.87 -249.849 -7.09967 17.1665 -7.10003 63.8618 GPRESSURE: 3622400 134.119 139.256 34.9602 116.474 -170.757 74.483 -29.7709 -143.933 91.5181 PRESSAVG: 3622400 55.7969 42.9029 -26.5699 42.9029 -18.5667 -8.28074 -26.57 -8.28075 -25.9756 GPRESSAVG: 3622400 55.6901 43.2474 -28.0145 41.4305 -18.3511 -8.4808 -26.0704 -7.79758 -26.1557 TIMING: 3622400 CPU: 10778.3, 0.0029351/step Wall: 10778.3, 0.0029351/step, 1.12316 hours remaining, 206.675781 MB of memory in use. ENERGY: 3622400 731.2891 2123.2261 1962.7158 108.4243 -205531.2859 17613.1599 0.0000 0.0000 34238.8456 -148753.6252 299.0164 -182992.4707 -148660.7849 300.1030 -11.0196 18.2935 558504.5104 3.7515 3.7278 PRESSURE: 3622600 81.5386 -128.46 -37.8413 -128.459 94.4756 12.8272 -37.8414 12.8269 -343.509 GPRESSURE: 3622600 90.6632 -139.555 -40.6742 -95.092 188.795 54.0942 -128.072 29.0236 -343.716 PRESSAVG: 3622600 -21.2939 -10.0729 -53.4999 -10.0729 -43.6257 19.2015 -53.4999 19.2015 36.6761 GPRESSAVG: 3622600 -21.032 -10.7683 -52.0778 -9.80899 -43.9352 18.3989 -54.9128 17.5926 36.6188 TIMING: 3622600 CPU: 10778.9, 0.00297233/step Wall: 10778.9, 0.00297233/step, 1.13725 hours remaining, 206.675781 MB of memory in use. ENERGY: 3622600 700.0585 2119.7858 1937.5960 103.0039 -205679.8547 17545.7915 0.0000 0.0000 34278.2926 -148995.3265 299.3609 -183273.6190 -148897.9972 299.1441 -55.8316 -21.4195 557916.0978 -9.4145 -9.4495 PRESSURE: 3622800 -107.59 33.5892 -21.0584 33.5895 176.831 77.7213 -21.0583 77.7224 146.451 GPRESSURE: 3622800 -17.5206 -13.2567 -17.0414 117.929 200.016 -36.9202 18.2897 150.166 123.53 PRESSAVG: 3622800 -26.9107 -6.32645 -35.434 -6.32646 22.4919 16.9271 -35.434 16.9271 -12.0427 GPRESSAVG: 3622800 -26.6895 -5.00587 -34.5719 -5.55661 21.9434 17.2993 -34.645 16.9135 -12.1565 TIMING: 3622800 CPU: 10779.5, 0.00295895/step Wall: 10779.5, 0.00295895/step, 1.13196 hours remaining, 206.675781 MB of memory in use. ENERGY: 3622800 749.9470 2034.5350 1954.3052 122.4480 -205936.2167 17821.7518 0.0000 0.0000 34399.5724 -148853.6573 300.4200 -183253.2297 -148753.7013 300.3002 71.8973 102.0085 557987.7524 -5.4872 -5.6342 PRESSURE: 3623000 -50.8795 20.2972 -95.8849 20.2961 -51.4655 -113.051 -95.8853 -113.05 77.2588 GPRESSURE: 3623000 0.526809 -37.8052 -127.929 32.1735 59.8417 -42.756 -178.464 -120.153 28.6253 PRESSAVG: 3623000 13.547 -64.2423 14.9168 -64.2423 -60.8376 21.5184 14.9167 21.5185 24.2548 GPRESSAVG: 3623000 13.7348 -64.4571 14.4686 -63.5995 -60.5598 21.5873 14.5348 22.9119 23.9802 TIMING: 3623000 CPU: 10780, 0.0029397/step Wall: 10780, 0.0029397/step, 1.12444 hours remaining, 206.675781 MB of memory in use. ENERGY: 3623000 727.9263 2090.0890 1940.5334 107.7592 -205892.6613 17652.1312 0.0000 0.0000 34543.5626 -148830.6595 301.6775 -183374.2221 -148728.9850 300.4972 -8.3621 29.6646 557084.6860 -7.6786 -7.6149 PRESSURE: 3623200 25.4088 3.94705 -219.629 3.94707 -66.0743 -74.6454 -219.629 -74.6461 -285.766 GPRESSURE: 3623200 37.3932 19.333 -192.887 98.6949 -31.3173 -115.393 -251.645 -77.6853 -231.642 PRESSAVG: 3623200 44.5387 -26.7139 19.6284 -26.7139 -46.7498 39.7652 19.6283 39.7651 -8.46004 GPRESSAVG: 3623200 44.7153 -26.1297 19.2252 -26.3583 -47.9684 40.697 21.4301 39.595 -7.88587 TIMING: 3623200 CPU: 10780.6, 0.0029619/step Wall: 10780.6, 0.0029619/step, 1.13276 hours remaining, 206.675781 MB of memory in use. ENERGY: 3623200 778.9568 2057.4834 1955.1981 110.8529 -205459.6455 17469.1467 0.0000 0.0000 34177.7478 -148910.2598 298.4828 -183088.0076 -148816.4333 300.1867 -108.8105 -75.1888 557901.4403 -3.5570 -3.7130 PRESSURE: 3623400 -213.839 159.753 6.86581 159.754 -58.7257 -78.642 6.86464 -78.6429 -109.97 GPRESSURE: 3623400 -124.161 252.404 63.5059 23.0356 -5.15655 11.8228 -31.8431 -161.095 -149.233 PRESSAVG: 3623400 -10.9381 -25.4232 8.79504 -25.4232 30.005 39.0176 8.79512 39.0176 -48.854 GPRESSAVG: 3623400 -11.771 -27.2726 8.84562 -25.9676 30.0813 39.5838 7.42785 37.9476 -48.709 TIMING: 3623400 CPU: 10781.2, 0.0029477/step Wall: 10781.2, 0.0029477/step, 1.12717 hours remaining, 206.675781 MB of memory in use. ENERGY: 3623400 759.1723 2107.1861 1941.9879 113.5111 -205541.8024 17478.4583 0.0000 0.0000 34220.0403 -148921.4464 298.8521 -183141.4867 -148824.9312 299.5770 -127.5115 -92.8499 558073.0776 -9.9290 -10.1329 PRESSURE: 3623600 -191.056 -85.7129 74.6466 -85.7121 -171.256 -75.3282 74.647 -75.328 8.31125 GPRESSURE: 3623600 -162.734 -104.568 148.155 -55.6034 -126.157 -158.649 95.2147 -20.151 33.4919 PRESSAVG: 3623600 66.4797 -21.3596 58.7753 -21.3596 -40.3537 -59.2128 58.7753 -59.2128 16.7032 GPRESSAVG: 3623600 67.4289 -21.2766 58.104 -22.5802 -39.7392 -61.0064 58.506 -58.6621 15.2941 TIMING: 3623600 CPU: 10781.8, 0.00293302/step Wall: 10781.8, 0.00293302/step, 1.12139 hours remaining, 206.675781 MB of memory in use. ENERGY: 3623600 778.8541 2069.3737 1963.1845 106.6633 -205894.7469 17608.6451 0.0000 0.0000 34403.4154 -148964.6108 300.4536 -183368.0262 -148862.8631 299.8327 -118.0002 -85.1330 557903.6722 14.2764 14.3279 PRESSURE: 3623800 76.9362 109.689 94.1475 109.688 -203.694 -65.4527 94.1469 -65.4549 -63.6714 GPRESSURE: 3623800 115.348 76.3131 162.611 117.358 -149.599 -110.996 99.8943 -9.37406 -58.0172 PRESSAVG: 3623800 50.2458 60.6366 20.1876 60.6366 -97.0466 -21.4218 20.1876 -21.4219 32.2096 GPRESSAVG: 3623800 50.3254 60.7009 21.0723 62.7989 -97.1559 -21.339 22.1879 -19.6863 32.266 TIMING: 3623800 CPU: 10782.4, 0.00293211/step Wall: 10782.4, 0.00293211/step, 1.12088 hours remaining, 206.675781 MB of memory in use. ENERGY: 3623800 738.9181 2072.2292 1958.1519 112.5860 -205650.7207 17439.2863 0.0000 0.0000 34420.9959 -148908.5533 300.6071 -183329.5492 -148813.0820 300.1444 -63.4764 -30.7559 558143.3800 -4.8637 -4.8549 PRESSURE: 3624000 -97.3618 39.6527 96.5098 39.6526 -145.501 223.686 96.5088 223.685 -133.967 GPRESSURE: 3624000 -33.3073 8.43519 125.575 -6.21416 -105.696 258.464 59.9537 270.176 -138.238 PRESSAVG: 3624000 16.7744 2.65988 14.1019 2.65987 -67.2431 39.4515 14.1018 39.4516 19.0563 GPRESSAVG: 3624000 17.0919 2.65745 13.959 2.23228 -66.3064 37.8412 11.2031 39.3332 17.8786 TIMING: 3624000 CPU: 10783, 0.00296131/step Wall: 10783, 0.00296131/step, 1.13188 hours remaining, 206.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3624000 746.8898 2104.2096 1963.9868 118.0128 -205894.8878 17421.1663 0.0000 0.0000 34589.9435 -148950.6791 302.0826 -183540.6226 -148854.3440 299.7184 -125.6098 -92.4138 558012.0319 -10.4708 -10.4453 PRESSURE: 3624200 17.3449 46.5336 -61.0184 46.5323 -98.7607 64.5626 -61.0189 64.5635 -128.907 GPRESSURE: 3624200 55.9704 43.7459 -43.6291 68.906 -59.8885 15.8121 -72.9068 82.5319 -108.224 PRESSAVG: 3624200 44.7229 52.8258 35.0818 52.8258 -43.6701 -29.0345 35.0817 -29.0346 -5.96935 GPRESSAVG: 3624200 44.585 53.2856 33.9042 51.472 -44.1072 -27.1307 35.0522 -29.0317 -5.858 TIMING: 3624200 CPU: 10783.6, 0.00295047/step Wall: 10783.6, 0.00295047/step, 1.12757 hours remaining, 206.675781 MB of memory in use. ENERGY: 3624200 760.5405 2073.7446 1969.1977 113.8732 -206130.8347 17774.5810 0.0000 0.0000 34480.4710 -148958.4267 301.1265 -183438.8977 -148863.6660 299.9410 -70.1076 -37.3805 557010.9868 -1.6389 -1.7934 LDB: ============= START OF LOAD BALANCING ============== 10787.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10787.1 LDB: =============== DONE WITH MIGRATION ================ 10787.1 LDB: ============= START OF LOAD BALANCING ============== 10787.4 LDB: Largest compute 4796 load 0.024615 is 20.8% of average load 0.118249 LDB: Average compute 0.001736 is 1.5% of average load 0.118249 LDB: TIME 10787.4 LOAD: AVG 0.118249 MAX 0.197227 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.188 MB LDB: TIME 10787.4 LOAD: AVG 0.118249 MAX 0.197227 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.188 MB LDB: TIME 10787.4 LOAD: AVG 0.118249 MAX 0.197227 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10787.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10787.4 PRESSURE: 3624400 268.817 -75.255 -39.5392 -75.2554 117.207 229.071 -39.5384 229.073 321.308 GPRESSURE: 3624400 263.714 -97.0309 -100.076 -97.4723 196.088 218.864 -39.279 274.849 358.23 PRESSAVG: 3624400 40.4697 48.7214 -21.2827 48.7214 24.4702 67.0682 -21.2826 67.0681 -76.6203 GPRESSAVG: 3624400 41.1233 50.9183 -19.6686 47.2197 24.7429 66.7439 -19.2804 66.6184 -77.2131 TIMING: 3624400 CPU: 10784.2, 0.00303269/step Wall: 10784.2, 0.00303269/step, 1.15883 hours remaining, 208.148438 MB of memory in use. ENERGY: 3624400 720.1960 2119.8564 1936.2162 123.1918 -206465.8164 18128.2823 0.0000 0.0000 34189.7210 -149248.3528 298.5873 -183438.0738 -149157.5578 299.4393 235.7774 272.6775 556790.6133 -3.8935 -3.7823 PRESSURE: 3624600 -33.8363 11.7787 90.6446 11.78 -302.805 14.0993 90.6452 14.1 -372.83 GPRESSURE: 3624600 -29.317 39.5323 72.5498 -84.0939 -291.685 73.3616 171.663 -26.7934 -303.699 PRESSAVG: 3624600 53.9357 65.9139 -57.7203 65.9138 -40.3904 -21.7113 -57.7203 -21.7115 -30.8028 GPRESSAVG: 3624600 52.3265 64.7467 -58.0739 67.1229 -40.2567 -19.5138 -56.979 -21.7847 -29.3765 TIMING: 3624600 CPU: 10784.8, 0.00294558/step Wall: 10784.8, 0.00294557/step, 1.12537 hours remaining, 208.218750 MB of memory in use. ENERGY: 3624600 788.0028 2070.5743 1930.9796 99.2639 -205884.4651 17389.2327 0.0000 0.0000 34304.2245 -149302.1874 299.5873 -183606.4119 -149204.7339 299.1686 -236.4903 -208.2337 556483.3283 -5.7525 -5.7689 PRESSURE: 3624800 -340.222 80.7284 -40.0684 80.7275 59.8681 36.8353 -40.0684 36.836 -75.1204 GPRESSURE: 3624800 -242.391 114.078 -35.2658 23.8822 35.0914 85.2715 -36.1551 58.458 -54.3607 PRESSAVG: 3624800 29.0378 83.35 -6.55361 83.35 -21.4427 27.6403 -6.55354 27.6403 -12.147 GPRESSAVG: 3624800 28.4156 82.5414 -6.795 84.0646 -20.8311 25.2563 -8.96698 28.098 -12.3318 TIMING: 3624800 CPU: 10785.4, 0.00294784/step Wall: 10785.4, 0.00294784/step, 1.12607 hours remaining, 208.218750 MB of memory in use. ENERGY: 3624800 789.1893 2110.6374 1922.8042 124.2312 -206704.5106 17850.6318 0.0000 0.0000 34408.1987 -149498.8180 300.4954 -183907.0167 -149401.8452 299.1017 -118.4914 -87.2200 557330.2780 -1.5173 -1.5824 PRESSURE: 3625000 -144.226 210.896 -57.3217 210.896 -130.19 -163.553 -57.3217 -163.554 49.688 GPRESSURE: 3625000 -186.521 73.8608 -27.0974 288.827 -108.034 -265.222 -87.308 -143.672 152.673 PRESSAVG: 3625000 -35.7228 41.9616 -17.51 41.9617 37.4749 29.6743 -17.5101 29.6743 23.6448 GPRESSAVG: 3625000 -35.43 42.1269 -16.0515 42.3806 36.654 31.295 -17.4036 27.7528 23.96 TIMING: 3625000 CPU: 10786, 0.00294948/step Wall: 10786, 0.00294948/step, 1.12654 hours remaining, 208.218750 MB of memory in use. ENERGY: 3625000 742.1849 2102.2943 1918.9648 113.7940 -206002.1455 17661.8225 0.0000 0.0000 34214.3880 -149248.6970 298.8028 -183463.0850 -149159.3749 299.0625 -74.9095 -47.2942 557183.8090 8.4656 8.3947 PRESSURE: 3625200 -181.64 43.6964 59.3518 43.6957 -235.155 -61.8614 59.3521 -61.8628 -39.4091 GPRESSURE: 3625200 -229.638 1.5006 16.7436 91.6004 -198.648 -134.299 120 -14.3229 75.0355 PRESSAVG: 3625200 -3.96635 52.4106 -2.47785 52.4106 -46.3519 17.7707 -2.47782 17.7707 38.0025 GPRESSAVG: 3625200 -3.29916 51.8984 -6.02956 51.5243 -45.5187 17.2705 -0.25871 18.3305 37.0828 TIMING: 3625200 CPU: 10786.5, 0.00295322/step Wall: 10786.5, 0.00295322/step, 1.1278 hours remaining, 208.218750 MB of memory in use. ENERGY: 3625200 709.0272 2151.1463 1926.9503 116.6661 -206119.4274 17668.0006 0.0000 0.0000 34397.6522 -149149.9847 300.4033 -183547.6369 -149050.1559 299.9024 -152.0679 -117.7502 559130.2182 -4.1052 -3.9117 PRESSURE: 3625400 -483.782 -90.2859 -48.5967 -90.2869 24.5387 16.5513 -48.5963 16.5494 -260.354 GPRESSURE: 3625400 -432.872 -48.8858 -102.312 -76.8472 16.8695 -90.7073 -74.3671 39.1049 -222.178 PRESSAVG: 3625400 -28.7605 10.0704 13.4812 10.0704 1.63467 -29.0635 13.4812 -29.0633 10.463 GPRESSAVG: 3625400 -29.0225 11.5927 16.6001 11.2833 0.289223 -29.4618 10.5237 -27.8239 11.9994 TIMING: 3625400 CPU: 10787.1, 0.00294914/step Wall: 10787.1, 0.00294914/step, 1.12608 hours remaining, 208.218750 MB of memory in use. ENERGY: 3625400 784.8092 2085.8080 1925.7934 109.3042 -205939.9875 17641.0434 0.0000 0.0000 34310.1272 -149083.1021 299.6389 -183393.2294 -148983.8899 299.8244 -239.8657 -212.7267 558647.5094 -5.5543 -5.5780 PRESSURE: 3625600 -2.80345 -108.3 -12.4512 -108.301 -22.7891 121.786 -12.4503 121.786 -15.3957 GPRESSURE: 3625600 9.5612 -133.555 -12.108 -66.0829 12.9078 215.409 -75.0579 135.627 35.5824 PRESSAVG: 3625600 -71.4122 -27.8202 101.888 -27.8202 58.7536 -15.1215 101.888 -15.1214 -43.9026 GPRESSAVG: 3625600 -70.9404 -29.139 101.846 -27.6274 59.3385 -15.966 103.518 -13.3969 -45.157 TIMING: 3625600 CPU: 10787.7, 0.00295152/step Wall: 10787.7, 0.00295152/step, 1.12683 hours remaining, 208.218750 MB of memory in use. ENERGY: 3625600 740.4674 2079.3097 1963.1360 106.8528 -206016.1840 17725.0191 0.0000 0.0000 34250.2962 -149151.1027 299.1164 -183401.3989 -149063.0142 299.4578 -13.6628 19.3505 558044.3979 -18.8537 -18.9196 PRESSURE: 3625800 39.047 18.1323 19.0056 18.132 34.5237 2.58189 19.0058 2.57905 -87.097 GPRESSURE: 3625800 61.9538 -41.7131 4.5607 74.4186 78.0418 -61.7477 53.1583 61.367 -49.5757 PRESSAVG: 3625800 -1.6198 35.5652 7.35021 35.5653 -21.0789 -26.1838 7.35013 -26.1837 27.3809 GPRESSAVG: 3625800 -2.19003 33.9796 7.23217 34.7056 -21.1623 -25.7477 8.27136 -28.0526 28.0696 TIMING: 3625800 CPU: 10788.3, 0.00294876/step Wall: 10788.3, 0.00294876/step, 1.12561 hours remaining, 208.218750 MB of memory in use. ENERGY: 3625800 765.5110 2077.1537 1981.9250 118.5127 -206546.4215 18007.2533 0.0000 0.0000 34302.3880 -149293.6778 299.5713 -183596.0658 -149199.1120 299.4901 -4.5088 30.1400 557892.1791 1.5608 1.5724 PRESSURE: 3626000 -10.6193 -12.7039 -58.832 -12.7051 13.0929 109.75 -58.8308 109.75 83.9689 GPRESSURE: 3626000 -15.0309 48.1094 16.7253 -28.9763 84.8184 97.9503 -89.5193 140.474 123.349 PRESSAVG: 3626000 -31.3504 -0.943139 -32.5149 -0.943155 -21.0839 -14.1922 -32.5149 -14.1922 21.087 GPRESSAVG: 3626000 -31.1196 -1.40245 -32.949 2.11281 -20.9618 -12.7551 -34.9259 -15.8773 20.6432 TIMING: 3626000 CPU: 10788.9, 0.0029149/step Wall: 10788.9, 0.0029149/step, 1.11252 hours remaining, 208.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3626000 746.7016 2101.9878 1981.1634 113.4150 -206171.3277 17813.5127 0.0000 0.0000 34220.8895 -149193.6576 298.8595 -183414.5471 -149101.5674 299.2506 28.8142 64.3789 557461.8869 -10.4491 -10.4794 PRESSURE: 3626200 116.503 -75.0806 -70.7323 -75.0804 -159.607 90.1583 -70.7316 90.1579 108.215 GPRESSURE: 3626200 147.713 -42.7157 35.312 -128.74 -49.3251 71.7661 -26.0188 70.7004 65.7606 PRESSAVG: 3626200 -13.4082 12.6838 18.973 12.6839 -36.6016 -58.2356 18.9729 -58.2356 53.1231 GPRESSAVG: 3626200 -14.2354 16.2888 19.993 10.0406 -36.2079 -58.47 20.7394 -56.4362 54.0704 TIMING: 3626200 CPU: 10789.5, 0.00294942/step Wall: 10789.5, 0.00294942/step, 1.12553 hours remaining, 208.218750 MB of memory in use. ENERGY: 3626200 722.0005 2092.2364 1915.9879 125.0414 -206376.3852 17888.3383 0.0000 0.0000 34307.1941 -149325.5865 299.6133 -183632.7806 -149222.3371 299.1940 21.7038 54.7160 557585.6843 1.0378 1.2090 PRESSURE: 3626400 -135.015 42.4314 41.7 42.431 -109.02 69.1682 41.6999 69.1687 -459.885 GPRESSURE: 3626400 -141.661 -45.5225 133.052 68.5181 -43.9252 57.8641 -55.3585 18.9443 -421.799 PRESSAVG: 3626400 9.90024 -35.0762 -20.4171 -35.0762 3.50798 -28.4049 -20.4172 -28.4049 -61.8778 GPRESSAVG: 3626400 10.9782 -34.9924 -20.5233 -36.212 3.11665 -29.0852 -21.6607 -27.3833 -62.5668 TIMING: 3626400 CPU: 10790.1, 0.00292861/step Wall: 10790.1, 0.00292861/step, 1.11743 hours remaining, 208.218750 MB of memory in use. ENERGY: 3626400 788.9657 2083.3897 1918.5874 114.6281 -205814.2840 17408.2256 0.0000 0.0000 34345.8821 -149154.6054 299.9511 -183500.4875 -149055.9276 299.4760 -234.6400 -202.4619 558621.0987 -16.1565 -16.1573 PRESSURE: 3626600 -226.914 -121.798 -1.6606 -121.798 21.5273 10.0742 -1.6604 10.0747 -227.602 GPRESSURE: 3626600 -158.615 -129.112 -14.7206 -112.3 34.4044 67.036 3.6291 26.2735 -211.052 PRESSAVG: 3626600 -21.8993 29.1803 43.3815 29.1802 35.6172 -71.3249 43.3815 -71.325 30.1937 GPRESSAVG: 3626600 -23.0876 28.277 42.9097 29.4779 35.4186 -70.9264 43.8665 -72.4833 31.4356 TIMING: 3626600 CPU: 10790.7, 0.00293242/step Wall: 10790.7, 0.00293242/step, 1.11872 hours remaining, 208.218750 MB of memory in use. ENERGY: 3626600 774.0258 2062.8754 1961.4884 119.4162 -205879.9312 17692.0496 0.0000 0.0000 34140.7265 -149129.3493 298.1595 -183270.0758 -149024.4417 299.0570 -144.3296 -111.7542 558357.7875 14.6372 14.5889 PRESSURE: 3626800 55.1793 176.939 64.6113 176.939 -189.915 75.7918 64.6112 75.7907 -79.829 GPRESSURE: 3626800 18.9561 148.595 130.264 140.482 -66.6123 130.391 32.441 67.1831 -67.3552 PRESSAVG: 3626800 1.46143 27.4237 45.7975 27.4236 21.1434 -14.827 45.7974 -14.827 -11.0483 GPRESSAVG: 3626800 1.65399 26.7871 45.749 28.8163 21.7359 -14.9973 44.7936 -14.8027 -11.869 TIMING: 3626800 CPU: 10791.2, 0.00291989/step Wall: 10791.2, 0.00291989/step, 1.11378 hours remaining, 208.218750 MB of memory in use. ENERGY: 3626800 739.4632 2060.3820 1934.4820 102.1499 -206019.7836 17480.7471 0.0000 0.0000 34517.0745 -149185.4850 301.4462 -183702.5594 -149087.0770 299.4181 -71.5216 -38.3372 555691.2037 3.8522 3.8403 PRESSURE: 3627000 247.437 -139.252 74.0253 -139.252 352.433 -170.692 74.0256 -170.691 217.928 GPRESSURE: 3627000 298.776 -157.542 -3.81077 -250.756 371.87 -192.771 185.743 -141.759 238.217 PRESSAVG: 3627000 10.2533 1.47592 27.3528 1.47586 22.9486 -54.6712 27.3527 -54.6712 -42.6426 GPRESSAVG: 3627000 11.3296 2.56582 25.8528 -0.219008 22.0377 -54.7151 28.4794 -55.4355 -42.7656 TIMING: 3627000 CPU: 10791.8, 0.00293966/step Wall: 10791.8, 0.00293966/step, 1.12115 hours remaining, 208.218750 MB of memory in use. ENERGY: 3627000 765.7534 2019.1045 1915.3351 117.3520 -206883.5940 18303.6312 0.0000 0.0000 34384.8068 -149377.6111 300.2911 -183762.4179 -149274.0696 299.2143 272.5993 302.9544 557092.5492 -3.1469 -3.1327 PRESSURE: 3627200 -167.004 -78.4508 -37.6631 -78.4508 4.09864 31.8832 -37.6632 31.8834 -228.206 GPRESSURE: 3627200 -108.073 -160.632 -98.5427 -21.1071 -15.6626 61.2354 26.3653 -81.57 -169.14 PRESSAVG: 3627200 32.1168 -2.12802 15.463 -2.12807 -28.985 -22.775 15.463 -22.7749 -15.701 GPRESSAVG: 3627200 32.8338 -2.85488 15.4294 -1.2858 -29.4244 -23.7469 14.9737 -20.357 -15.994 TIMING: 3627200 CPU: 10792.4, 0.0029072/step Wall: 10792.4, 0.0029072/step, 1.10861 hours remaining, 208.218750 MB of memory in use. ENERGY: 3627200 715.2698 2102.3786 1950.8647 110.1785 -205998.0206 17561.5961 0.0000 0.0000 34173.4257 -149384.3071 298.4450 -183557.7329 -149282.4250 298.6212 -130.3703 -97.6250 557939.9688 -4.1897 -4.1948 PRESSURE: 3627400 60.3175 -120.876 -14.983 -120.876 -143.918 -84.9233 -14.9825 -84.9239 17.5267 GPRESSURE: 3627400 49.6062 -94.0101 -7.49988 -189.616 -50.0746 58.664 15.2287 -192.361 38.3619 PRESSAVG: 3627400 57.7862 -41.7719 26.1196 -41.7719 -33.71 1.67288 26.1196 1.67284 34.7088 GPRESSAVG: 3627400 55.8685 -40.6393 27.494 -40.1965 -33.563 3.61307 26.6974 0.289376 35.7045 TIMING: 3627400 CPU: 10793, 0.00290396/step Wall: 10793, 0.00290396/step, 1.10722 hours remaining, 208.218750 MB of memory in use. ENERGY: 3627400 753.1926 2081.0199 1959.7880 111.9827 -206084.4253 17775.9804 0.0000 0.0000 34200.1076 -149202.3541 298.6780 -183402.4617 -149098.2423 299.4776 -22.0248 12.6312 557690.4321 19.5950 19.3367 PRESSURE: 3627600 -44.0596 -19.8121 -7.24679 -19.8137 -192.657 119.802 -7.24664 119.8 12.3067 GPRESSURE: 3627600 -21.5396 -52.8863 32.668 -11.9723 -184.511 96.83 -29.2142 51.4279 90.6397 PRESSAVG: 3627600 40.7839 18.4676 -13.0451 18.4677 29.9415 8.58171 -13.045 8.58179 -42.2647 GPRESSAVG: 3627600 41.4096 17.9351 -11.002 16.5932 30.1964 6.88482 -14.6706 9.14602 -43.139 TIMING: 3627600 CPU: 10793.6, 0.00291714/step Wall: 10793.6, 0.00291714/step, 1.11208 hours remaining, 208.218750 MB of memory in use. ENERGY: 3627600 746.3221 2060.7395 1951.7222 118.5884 -206368.7403 17872.0911 0.0000 0.0000 34525.3949 -149093.8822 301.5189 -183619.2771 -148999.3314 299.4276 -74.8033 -38.4702 557560.9440 9.4869 9.4890 PRESSURE: 3627800 13.9128 77.0871 -142.257 77.0874 -117.81 172.234 -142.257 172.235 25.9594 GPRESSURE: 3627800 6.67708 86.7283 -91.8146 52.2643 -63.7319 103.706 -216.133 233.633 85.1349 PRESSAVG: 3627800 7.98988 -3.75271 26.1056 -3.75279 -62.6154 6.11866 26.1056 6.11867 64.3459 GPRESSAVG: 3627800 7.20464 -3.26473 22.2451 -3.47289 -61.7202 8.89421 28.3111 5.30011 64.3909 TIMING: 3627800 CPU: 10794.2, 0.00292814/step Wall: 10794.2, 0.00292814/step, 1.11611 hours remaining, 208.218750 MB of memory in use. ENERGY: 3627800 730.4345 2096.9215 1948.0750 121.6517 -206272.6351 17858.7241 0.0000 0.0000 34550.4201 -148966.4081 301.7374 -183516.8282 -148870.9424 299.8865 -25.9792 9.3600 557745.9555 3.2401 3.2918 PRESSURE: 3628000 -311.248 -189.761 -51.0098 -189.76 75.328 90.7138 -51.0075 90.7125 -193.798 GPRESSURE: 3628000 -270.561 -180.5 -125.037 -179.271 122.811 63.7145 28.7513 192.962 -191.68 PRESSAVG: 3628000 20.3278 -30.17 -0.0909698 -30.1699 -27.6971 2.4664 -0.0910038 2.46643 3.32594 GPRESSAVG: 3628000 20.0074 -30.2064 -0.327431 -29.4572 -28.5787 -1.34169 2.08919 3.56455 4.64121 TIMING: 3628000 CPU: 10794.7, 0.00290459/step Wall: 10794.7, 0.00290459/step, 1.10697 hours remaining, 208.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3628000 777.0677 2022.3909 1959.0962 131.9155 -206179.2328 17938.8093 0.0000 0.0000 34268.8751 -149081.0782 299.2786 -183349.9533 -148981.8797 299.3677 -143.2394 -113.1432 560070.0659 -1.3478 -1.3100 PRESSURE: 3628200 149.63 -13.3671 -40.531 -13.3673 35.4765 -95.8279 -40.5302 -95.8282 -214.849 GPRESSURE: 3628200 172.541 -34.4535 -34.762 -24.3216 82.5626 -59.7726 -11.2166 -69.8995 -186.661 PRESSAVG: 3628200 -16.7094 -36.7622 0.573795 -36.7621 6.02978 -2.71878 0.573845 -2.71878 -39.6123 GPRESSAVG: 3628200 -16.403 -37.6626 1.15915 -35.5448 6.9305 0.194959 -1.75991 -2.83364 -40.9674 TIMING: 3628200 CPU: 10795.3, 0.00289716/step Wall: 10795.3, 0.00289716/step, 1.10398 hours remaining, 208.218750 MB of memory in use. ENERGY: 3628200 733.8126 2042.6078 1947.4778 116.0588 -205873.9279 17811.6227 0.0000 0.0000 34224.0534 -148998.2949 298.8872 -183222.3483 -148899.8906 299.6597 -9.9140 22.8141 557908.7290 -16.7640 -16.8133 LDB: ============= START OF LOAD BALANCING ============== 10798.9 LDB: ============== END OF LOAD BALANCING =============== 10798.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10798.9 LDB: ============= START OF LOAD BALANCING ============== 10799.2 LDB: Largest compute 4796 load 0.025621 is 21.7% of average load 0.118282 LDB: Average compute 0.001742 is 1.5% of average load 0.118282 LDB: TIME 10799.2 LOAD: AVG 0.118282 MAX 0.194247 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.602 MB LDB: TIME 10799.2 LOAD: AVG 0.118282 MAX 0.194247 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.805 MB LDB: TIME 10799.2 LOAD: AVG 0.118282 MAX 0.194247 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.805 MB LDB: ============== END OF LOAD BALANCING =============== 10799.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10799.2 PRESSURE: 3628400 -179.791 48.0437 -38.4201 48.0446 -71.8271 -208.443 -38.4197 -208.442 -526.739 GPRESSURE: 3628400 -106.075 -8.29533 -7.12535 40.1893 -57.202 -195.037 8.16442 -210.897 -506.442 PRESSAVG: 3628400 17.1076 -9.32949 -24.6149 -9.32958 47.6149 9.03057 -24.6148 9.03062 -35.7891 GPRESSAVG: 3628400 18.0912 -8.76335 -23.6646 -12.2743 46.8388 6.32467 -25.1839 9.69297 -35.577 TIMING: 3628400 CPU: 10795.9, 0.0029641/step Wall: 10795.9, 0.0029641/step, 1.12932 hours remaining, 207.371094 MB of memory in use. ENERGY: 3628400 769.4749 2096.0247 1929.6469 113.7726 -205454.6745 17319.4161 0.0000 0.0000 34304.3666 -148921.9727 299.5886 -183226.3393 -148828.1785 299.9206 -259.4525 -223.2396 558601.7337 9.6445 9.7844 PRESSURE: 3628600 -7.99173 58.6292 -75.6521 58.6285 -27.9786 -161.475 -75.6516 -161.475 30.5222 GPRESSURE: 3628600 50.4651 43.843 -60.4899 90.8487 1.40133 -174.068 -2.15489 -96.1639 47.306 PRESSAVG: 3628600 25.3157 54.745 -11.2406 54.745 49.7827 -38.5928 -11.2406 -38.5928 -62.1629 GPRESSAVG: 3628600 25.9306 54.7819 -12.0589 56.5985 48.9049 -38.442 -12.1797 -38.0235 -62.0056 TIMING: 3628600 CPU: 10796.5, 0.00292643/step Wall: 10796.5, 0.00292643/step, 1.11481 hours remaining, 207.371094 MB of memory in use. ENERGY: 3628600 729.7913 2047.0230 1963.5133 118.3851 -205961.3456 17774.5986 0.0000 0.0000 34260.1406 -149067.8937 299.2023 -183328.0343 -148972.9774 299.6210 -1.8160 33.0575 557382.1367 4.3118 4.2766 PRESSURE: 3628800 -55.9023 54.2289 -58.292 54.2283 200.196 109.586 -58.2922 109.586 9.78128 GPRESSURE: 3628800 -27.3143 56.1697 -139.024 59.0626 264.707 67.3823 -23.469 44.055 14.3951 PRESSAVG: 3628800 17.6507 40.9053 -40.6254 40.9053 -2.64258 -35.9196 -40.6255 -35.9196 -43.1349 GPRESSAVG: 3628800 16.1459 41.8096 -41.4534 39.8738 -1.55394 -35.3721 -38.4984 -37.987 -42.75 TIMING: 3628800 CPU: 10797.1, 0.00294085/step Wall: 10797.1, 0.00294085/step, 1.12014 hours remaining, 207.371094 MB of memory in use. ENERGY: 3628800 722.4804 2151.0105 1946.2749 113.4449 -206361.4675 17982.7808 0.0000 0.0000 34321.9458 -149123.5302 299.7421 -183445.4760 -149026.4151 299.9646 51.3582 83.9292 558337.5385 -9.3756 -9.3860 PRESSURE: 3629000 -25.7091 -179.628 37.5519 -179.629 101.9 -156.583 37.5503 -156.583 333.639 GPRESSURE: 3629000 68.7243 -152.703 41.8383 -206.048 70.674 -88.9195 -4.58402 -99.4899 380.218 PRESSAVG: 3629000 -31.4849 23.2086 -46.532 23.2086 52.8474 18.5379 -46.532 18.5378 25.6277 GPRESSAVG: 3629000 -29.2798 22.5311 -46.3909 25.2626 51.0411 19.3469 -46.7607 16.4547 25.8944 TIMING: 3629000 CPU: 10797.7, 0.00294163/step Wall: 10797.7, 0.00294163/step, 1.12027 hours remaining, 207.371094 MB of memory in use. ENERGY: 3629000 743.8036 2039.8516 1969.7922 104.5464 -206636.2635 18127.7862 0.0000 0.0000 34301.0943 -149349.3893 299.5600 -183650.4836 -149249.9533 299.1238 136.6099 173.2054 557039.9238 15.6634 15.8852 PRESSURE: 3629200 -177.083 -128.107 -74.9484 -128.108 -118.34 -109.305 -74.9474 -109.306 -150.838 GPRESSURE: 3629200 -165.253 -104.315 -44.702 -115.842 -99.042 -37.0601 -158.973 -151.975 -73.1983 PRESSAVG: 3629200 -16.8556 12.4383 15.6899 12.4383 -10.7156 -26.6812 15.6899 -26.6812 17.7133 GPRESSAVG: 3629200 -17.8171 12.0474 16.3088 13.0053 -10.45 -28.3476 15.4386 -23.7608 18.0222 TIMING: 3629200 CPU: 10798.3, 0.00295065/step Wall: 10798.3, 0.00295065/step, 1.12354 hours remaining, 207.371094 MB of memory in use. ENERGY: 3629200 730.6059 2107.9626 1934.1056 116.0728 -206306.5839 17645.1005 0.0000 0.0000 34254.6247 -149518.1118 299.1542 -183772.7364 -149420.4060 298.7670 -148.7534 -112.4977 558707.7158 -3.2860 -3.4150 PRESSURE: 3629400 -180.239 -120.741 66.8575 -120.74 -135.027 -46.2179 66.8575 -46.2185 69.8782 GPRESSURE: 3629400 -137.371 -171.481 42.545 -106.761 -84.0816 -26.5588 51.9944 -36.2181 80.722 PRESSAVG: 3629400 -62.0611 -76.5502 -29.3006 -76.5501 -33.5165 -4.50085 -29.3005 -4.50081 66.1404 GPRESSAVG: 3629400 -62.0906 -76.4802 -31.7543 -79.7577 -33.0241 -3.47091 -30.14 -5.08876 65.7471 TIMING: 3629400 CPU: 10798.9, 0.00295227/step Wall: 10798.9, 0.00295227/step, 1.124 hours remaining, 207.371094 MB of memory in use. ENERGY: 3629400 744.2512 2101.1269 1954.2797 109.0408 -206462.9407 17885.7626 0.0000 0.0000 34233.8729 -149434.6066 298.9729 -183668.4795 -149343.9762 298.8050 -81.7960 -46.9103 558849.8934 -9.8124 -9.7892 PRESSURE: 3629600 -34.2985 73.2032 126.576 73.2041 132.058 -85.2042 126.576 -85.203 166.761 GPRESSURE: 3629600 -24.3068 53.1863 127.943 62.4037 129.452 -10.2037 59.2274 -24.0442 265.111 PRESSAVG: 3629600 35.2713 -41.1683 -24.4621 -41.1682 -20.2943 12.8391 -24.4621 12.8391 3.87847 GPRESSAVG: 3629600 34.872 -42.6076 -22.525 -39.232 -19.306 13.1624 -25.9323 13.7165 4.08366 TIMING: 3629600 CPU: 10799.5, 0.00295109/step Wall: 10799.5, 0.00295109/step, 1.12338 hours remaining, 207.371094 MB of memory in use. ENERGY: 3629600 766.8302 2076.2770 1936.3769 108.0571 -206668.7023 18170.3971 0.0000 0.0000 34165.2283 -149445.5356 298.3734 -183610.7639 -149357.3197 298.7966 88.1735 123.4191 558291.5714 6.2852 6.5499 PRESSURE: 3629800 -83.4408 -231.08 -24.0652 -231.08 -101.8 -34.1878 -24.0639 -34.1875 -340.735 GPRESSURE: 3629800 -52.2811 -123.905 13.008 -328.871 -71.1937 47.48 -103.585 -120.699 -304.177 PRESSAVG: 3629800 12.7357 -8.50944 -2.69982 -8.5094 -21.3087 -11.7622 -2.69976 -11.7623 13.6734 GPRESSAVG: 3629800 13.5187 -6.06994 -3.16083 -8.62148 -21.6713 -11.8177 -0.97701 -12.9323 12.9456 TIMING: 3629800 CPU: 10800, 0.00295042/step Wall: 10800, 0.00295042/step, 1.12296 hours remaining, 207.371094 MB of memory in use. ENERGY: 3629800 775.6296 2045.5141 1932.8148 101.8105 -205949.4817 17544.0988 0.0000 0.0000 34189.3357 -149360.2780 298.5840 -183549.6138 -149265.2939 299.0289 -175.3252 -142.5507 558377.3496 1.7001 1.5977 PRESSURE: 3630000 -146.312 28.5712 14.2211 28.5719 43.1445 140.81 14.2205 140.809 -132.797 GPRESSURE: 3630000 -119.588 -37.6613 -13.9811 41.0409 144.99 164.157 -9.65553 27.8459 -151.909 PRESSAVG: 3630000 -33.9506 -32.8865 -59.6921 -32.8865 28.8042 4.85291 -59.6922 4.85298 12.6945 GPRESSAVG: 3630000 -34.3158 -34.0435 -58.562 -34.8784 29.9683 6.88178 -61.0575 4.29368 12.0011 TIMING: 3630000 CPU: 10800.6, 0.00295958/step Wall: 10800.6, 0.00295958/step, 1.12628 hours remaining, 207.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3630000 761.0519 2066.4619 1932.5241 114.6752 -206368.0098 17923.9536 0.0000 0.0000 34209.8403 -149359.5029 298.7630 -183569.3431 -149261.4312 298.7763 -78.6548 -42.1689 558169.6544 2.5160 2.5512 PRESSURE: 3630200 -306.471 169.742 -101.83 169.743 -239.519 -43.502 -101.83 -43.5019 41.1903 GPRESSURE: 3630200 -259.1 124.657 -186.279 219.617 -203.611 -62.7769 10.2244 -56.3862 40.198 PRESSAVG: 3630200 -62.033 28.7182 -21.2356 28.7183 20.7592 -45.1162 -21.2356 -45.1161 5.97815 GPRESSAVG: 3630200 -61.9513 25.9496 -22.6986 32.899 19.4385 -46.2573 -19.7156 -45.1075 7.43763 TIMING: 3630200 CPU: 10801.2, 0.00295962/step Wall: 10801.2, 0.00295962/step, 1.12613 hours remaining, 207.371094 MB of memory in use. ENERGY: 3630200 722.8566 2126.1650 1927.0210 128.6095 -206029.4690 17499.6446 0.0000 0.0000 34137.2350 -149487.9374 298.1290 -183625.1723 -149395.0341 298.6086 -168.2666 -140.8377 558292.1659 -11.7652 -11.6917 PRESSURE: 3630400 174.047 30.4362 2.93024 30.438 83.0631 -90.185 2.93061 -90.183 156.136 GPRESSURE: 3630400 189.061 97.3941 -39.2979 -56.0696 121.186 -90.6807 84.8853 -78.6029 194.448 PRESSAVG: 3630400 -37.2117 24.5713 3.97917 24.5712 -15.635 26.9079 3.97924 26.908 51.7876 GPRESSAVG: 3630400 -38.0953 27.6779 4.38505 20.5917 -14.6491 27.5433 3.79909 27.8812 51.5664 TIMING: 3630400 CPU: 10801.8, 0.00296458/step Wall: 10801.8, 0.00296458/step, 1.12786 hours remaining, 207.371094 MB of memory in use. ENERGY: 3630400 733.1886 2133.3361 1918.0967 114.2150 -206478.1752 18071.8051 0.0000 0.0000 33948.3483 -149559.1855 296.4794 -183507.5338 -149463.4491 297.8179 137.7487 168.2318 557720.2518 -0.3531 -0.3927 PRESSURE: 3630600 -42.9935 -109.867 0.0110668 -109.865 -259.216 -113.651 0.0111662 -113.651 118.024 GPRESSURE: 3630600 -26.2742 -168.465 1.71109 -170.24 -236.511 -155.852 56.0103 -18.1729 178.058 PRESSAVG: 3630600 12.5767 -53.347 -3.72123 -53.347 34.47 -15.6602 -3.72116 -15.6602 -8.12672 GPRESSAVG: 3630600 13.6886 -52.1764 -3.23472 -52.3007 32.7365 -15.4381 -4.32497 -14.7512 -7.46409 TIMING: 3630600 CPU: 10802.4, 0.0029561/step Wall: 10802.4, 0.0029561/step, 1.12447 hours remaining, 207.371094 MB of memory in use. ENERGY: 3630600 735.0854 2024.8204 1933.3365 116.1286 -206268.2903 17686.9148 0.0000 0.0000 34169.0914 -149602.9133 298.4072 -183772.0047 -149508.9277 297.3396 -61.3950 -28.2422 557718.9298 12.9733 12.9870 PRESSURE: 3630800 -40.5553 -115.504 80.9358 -115.502 73.9446 -51.7573 80.9348 -51.758 -213.529 GPRESSURE: 3630800 20.6238 -167.693 214.666 -101.136 61.8522 -43.1339 -21.6463 -208.591 -151.44 PRESSAVG: 3630800 12.2766 -60.1955 37.9911 -60.1954 1.00784 -22.6296 37.9911 -22.6296 14.2242 GPRESSAVG: 3630800 10.8509 -60.9304 37.7567 -59.1159 2.54683 -21.2739 38.4603 -25.9526 14.3531 TIMING: 3630800 CPU: 10803, 0.00296462/step Wall: 10803, 0.00296462/step, 1.12754 hours remaining, 207.371094 MB of memory in use. ENERGY: 3630800 731.1870 2109.7546 1949.9193 122.4767 -206559.7649 17869.6025 0.0000 0.0000 34222.0243 -149554.8004 298.8694 -183776.8247 -149468.1252 297.9554 -60.0465 -22.9881 555994.4519 9.1695 9.2503 PRESSURE: 3631000 155.328 -114.223 -7.19242 -114.224 70.7068 55.9651 -7.19236 55.9636 86.8364 GPRESSURE: 3631000 129.424 -72.8553 -65.3288 -137.259 124.406 -42.7656 -68.9997 17.204 158.565 PRESSAVG: 3631000 -7.28488 -48.7145 22.8684 -48.7144 12.8764 16.1105 22.8684 16.1106 1.39044 GPRESSAVG: 3631000 -7.23999 -48.7865 23.3047 -47.8968 12.1282 13.9793 22.4693 17.5635 1.83664 TIMING: 3631000 CPU: 10803.6, 0.00293973/step Wall: 10803.6, 0.00293973/step, 1.11792 hours remaining, 207.371094 MB of memory in use. ENERGY: 3631000 752.6492 2085.5560 1952.3803 109.7540 -206370.2962 17952.5901 0.0000 0.0000 34058.0868 -149459.2798 297.4377 -183517.3666 -149355.0126 298.5917 104.2904 137.4653 557364.4370 2.3273 2.2416 PRESSURE: 3631200 94.5545 46.1969 -19.3096 46.1974 -135.923 -27.7151 -19.309 -27.7165 307.901 GPRESSURE: 3631200 84.3545 15.0116 -80.8183 130.551 -86.1048 87.1784 -43.2272 -4.88515 370.237 PRESSAVG: 3631200 32.4368 -19.2752 -35.1703 -19.2752 -0.0120035 46.8259 -35.1705 46.8259 -21.711 GPRESSAVG: 3631200 32.0608 -19.3245 -37.0019 -20.6224 0.548889 48.3019 -34.343 47.0612 -21.8126 TIMING: 3631200 CPU: 10804.2, 0.00293378/step Wall: 10804.2, 0.00293379/step, 1.11549 hours remaining, 207.371094 MB of memory in use. ENERGY: 3631200 721.1356 2116.5545 1925.2471 119.0782 -206820.4088 18052.6762 0.0000 0.0000 34284.1739 -149601.5434 299.4122 -183885.7173 -149508.9631 298.6947 88.8443 122.8290 556745.9894 3.5712 3.5990 PRESSURE: 3631400 -228.362 25.6194 -23.8788 25.6203 60.5375 -27.3144 -23.8788 -27.3131 118.821 GPRESSURE: 3631400 -167.97 30.3852 -53.9096 4.90562 73.4737 -96.0979 -42.4153 12.2245 137.989 PRESSAVG: 3631400 -33.9041 -61.2093 10.6161 -61.2093 -28.983 7.70611 10.6161 7.70613 19.3749 GPRESSAVG: 3631400 -33.0173 -60.8437 11.6212 -62.7223 -29.5286 6.00809 10.284 8.4846 18.578 TIMING: 3631400 CPU: 10804.8, 0.00290156/step Wall: 10804.8, 0.00290156/step, 1.10308 hours remaining, 207.371094 MB of memory in use. ENERGY: 3631400 756.5257 2082.7606 1975.7183 107.2929 -206432.7803 17788.0473 0.0000 0.0000 34188.6495 -149533.7860 298.5780 -183722.4355 -149435.7568 298.5219 -16.3342 14.4977 555890.8714 -14.5041 -14.6560 PRESSURE: 3631600 48.384 212.806 -76.7708 212.806 -250.601 10.8895 -76.7699 10.8881 -365.312 GPRESSURE: 3631600 49.8278 183.816 -87.6605 223.952 -231.769 13.9378 -72.8704 14.1346 -290.513 PRESSAVG: 3631600 46.93 18.1715 38.7099 18.1715 -53.1768 15.6077 38.7099 15.6077 27.677 GPRESSAVG: 3631600 46.3901 17.2155 38.9947 19.246 -52.5034 15.7082 39.3339 13.8087 27.824 TIMING: 3631600 CPU: 10805.3, 0.00290934/step Wall: 10805.3, 0.00290934/step, 1.10587 hours remaining, 207.371094 MB of memory in use. ENERGY: 3631600 759.8441 2056.9085 1932.4839 101.2740 -206474.6668 17882.4544 0.0000 0.0000 34090.5585 -149651.1435 297.7213 -183741.7020 -149546.0426 298.0448 -189.1764 -157.4847 557624.1151 7.1434 7.2369 PRESSURE: 3631800 -275.723 -34.0689 64.9474 -34.0693 -222.176 -2.83262 64.9475 -2.83307 -83.0629 GPRESSURE: 3631800 -288.504 -29.9737 52.0953 -15.0841 -194.897 83.3347 123.669 -100.934 -10.1174 PRESSAVG: 3631800 7.05051 -23.927 31.6003 -23.9269 -55.7145 19.9826 31.6003 19.9826 66.3362 GPRESSAVG: 3631800 7.65726 -23.6758 32.4036 -24.4145 -56.1265 19.5513 30.8603 20.906 66.4145 TIMING: 3631800 CPU: 10805.9, 0.0029133/step Wall: 10805.9, 0.0029133/step, 1.10722 hours remaining, 207.371094 MB of memory in use. ENERGY: 3631800 755.6674 2066.6111 1936.0620 116.7558 -206346.0202 17636.5481 0.0000 0.0000 34365.5354 -149468.8404 300.1228 -183834.3758 -149374.1016 298.5793 -193.6541 -164.5063 559158.2627 5.8908 5.9817 PRESSURE: 3632000 -101.521 66.1145 53.7068 66.1146 -17.6242 -31.0354 53.7064 -31.0346 215.99 GPRESSURE: 3632000 -39.5538 120.397 -14.7759 -1.92154 35.9802 35.3714 47.1183 -88.011 192.746 PRESSAVG: 3632000 27.8376 -2.98648 -15.3422 -2.98639 -18.7617 13.0568 -15.3422 13.0568 11.7245 GPRESSAVG: 3632000 28.596 -3.7514 -14.8489 -0.364976 -19.9103 14.8083 -15.9226 12.0245 12.4796 TIMING: 3632000 CPU: 10806.5, 0.00290754/step Wall: 10806.5, 0.00290754/step, 1.10486 hours remaining, 207.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3632000 743.8939 2128.6126 1968.0596 113.6391 -206707.2175 17900.7802 0.0000 0.0000 34418.3351 -149433.8970 300.5839 -183852.2322 -149340.9785 299.1254 32.2815 63.0575 557378.0288 6.9335 7.0551 PRESSURE: 3632200 -116.426 98.1987 77.0167 98.1969 -106.188 36.509 77.0146 36.5098 -78.5598 GPRESSURE: 3632200 -122.994 118.378 44.2809 161.341 -16.3369 32.1633 35.9581 -13.57 -64.7831 PRESSAVG: 3632200 13.7885 -23.8262 23.0473 -23.8261 -57.2144 -6.70404 23.0472 -6.70412 72.1702 GPRESSAVG: 3632200 13.5962 -23.5329 21.2966 -26.0008 -56.752 -8.36274 22.8923 -7.51984 71.4413 TIMING: 3632200 CPU: 10807.1, 0.00292956/step Wall: 10807.1, 0.00292956/step, 1.11307 hours remaining, 207.371094 MB of memory in use. ENERGY: 3632200 767.9710 2079.3728 1954.8775 125.5024 -206475.6395 17875.9190 0.0000 0.0000 34215.3180 -149456.6787 298.8109 -183671.9967 -149362.5964 298.7161 -100.3913 -68.0379 557834.6703 9.5815 9.4285 LDB: ============= START OF LOAD BALANCING ============== 10810.6 LDB: ============== END OF LOAD BALANCING =============== 10810.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10810.6 LDB: ============= START OF LOAD BALANCING ============== 10810.9 LDB: Largest compute 4796 load 0.025474 is 21.6% of average load 0.118175 LDB: Average compute 0.001735 is 1.5% of average load 0.118175 LDB: TIME 10810.9 LOAD: AVG 0.118175 MAX 0.197478 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.945 MB LDB: TIME 10810.9 LOAD: AVG 0.118175 MAX 0.197478 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.145 MB LDB: TIME 10810.9 LOAD: AVG 0.118175 MAX 0.197478 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.145 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10810.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10810.9 PRESSURE: 3632400 28.6164 -178.054 -69.7643 -178.054 -314.488 -10.9221 -69.765 -10.9219 -444.9 GPRESSURE: 3632400 68.4178 -218.306 -83.3772 -252.944 -268.347 -52.7264 4.57632 21.396 -436.825 PRESSAVG: 3632400 34.6049 31.6646 -34.2789 31.6647 -53.6375 -13.2732 -34.2788 -13.2732 -14.7768 GPRESSAVG: 3632400 33.4066 31.7108 -34.0764 31.8581 -52.9169 -12.5224 -33.7735 -12.9022 -14.7478 TIMING: 3632400 CPU: 10807.7, 0.00301039/step Wall: 10807.7, 0.00301039/step, 1.14361 hours remaining, 207.445312 MB of memory in use. ENERGY: 3632400 777.2374 2089.0756 1994.5195 103.2821 -206153.1283 17507.8025 0.0000 0.0000 34153.1898 -149528.0214 298.2683 -183681.2112 -149427.2912 298.2628 -243.5904 -212.2515 558003.4733 -11.2698 -11.4194 PRESSURE: 3632600 -46.443 -10.3773 0.371433 -10.378 10.8994 119.82 0.370354 119.82 -3.82028 GPRESSURE: 3632600 11.9684 -79.399 -29.5347 -52.674 -21.6677 62.842 97.2706 47.545 84.4076 PRESSAVG: 3632600 27.8152 9.09758 90.0389 9.09751 35.1092 31.0355 90.0389 31.0356 -16.7715 GPRESSAVG: 3632600 28.9674 8.6725 91.2097 9.18891 34.1759 31.7531 89.3855 32.2168 -16.8449 TIMING: 3632600 CPU: 10808.3, 0.00294174/step Wall: 10808.3, 0.00294174/step, 1.11737 hours remaining, 207.445312 MB of memory in use. ENERGY: 3632600 705.2344 2103.2639 1921.9463 113.5854 -206329.7321 17752.0245 0.0000 0.0000 34303.5319 -149430.1457 299.5813 -183733.6776 -149333.4985 298.2568 -13.1213 24.9028 557908.9630 15.3843 15.4328 PRESSURE: 3632800 378.659 30.9336 89.03 30.9337 190.562 72.4482 89.0293 72.4486 304.658 GPRESSURE: 3632800 414.868 14.7458 90.2908 163.963 199.399 127.656 15.6427 71.6121 344.266 PRESSAVG: 3632800 17.1576 28.6059 70.7659 28.6059 -29.2431 58.543 70.766 58.543 14.5067 GPRESSAVG: 3632800 17.386 29.8281 69.3127 28.6289 -29.5196 57.6702 71.5351 58.209 14.4717 TIMING: 3632800 CPU: 10808.9, 0.00293962/step Wall: 10808.9, 0.00293962/step, 1.1164 hours remaining, 207.445312 MB of memory in use. ENERGY: 3632800 750.5419 2081.9949 1925.7523 111.6963 -207107.8310 18410.0741 0.0000 0.0000 34255.9114 -149571.8600 299.1654 -183827.7715 -149474.2504 297.9797 291.2928 319.5110 556519.5151 0.8071 0.7794 PRESSURE: 3633000 -6.50291 -19.6154 -56.8811 -19.6161 44.3531 -42.4153 -56.8823 -42.4139 146.81 GPRESSURE: 3633000 -75.5033 -28.5889 38.0068 -50.4899 99.9222 -113.033 -100.917 35.9546 246.433 PRESSAVG: 3633000 14.4872 -15.0432 -48.5614 -15.0432 -15.5177 36.2654 -48.5614 36.2655 20.8734 GPRESSAVG: 3633000 13.995 -16.2573 -48.9129 -15.467 -15.1949 38.3183 -49.6504 35.278 20.4121 TIMING: 3633000 CPU: 10809.5, 0.00293998/step Wall: 10809.5, 0.00293998/step, 1.11638 hours remaining, 207.445312 MB of memory in use. ENERGY: 3633000 711.5939 2059.5428 1917.4480 104.6644 -205945.8258 17604.9624 0.0000 0.0000 34129.6853 -149417.9290 298.0630 -183547.6143 -149322.7485 297.8710 61.5533 90.2840 557128.5534 6.6143 6.4041 PRESSURE: 3633200 56.8277 98.2568 43.1048 98.2566 86.4389 -4.26444 43.1039 -4.26524 -159.991 GPRESSURE: 3633200 130.559 71.3322 72.6408 42.6248 79.0113 18.1691 -13.0612 7.78702 -139.216 PRESSAVG: 3633200 21.9814 -1.31615 -15.0976 -1.31609 19.2646 5.58481 -15.0977 5.58496 7.19749 GPRESSAVG: 3633200 21.7685 0.145257 -15.5475 -1.11819 19.7307 5.32745 -14.6958 6.6485 7.20195 TIMING: 3633200 CPU: 10810, 0.00294573/step Wall: 10810, 0.00294573/step, 1.1184 hours remaining, 207.445312 MB of memory in use. ENERGY: 3633200 712.1691 2076.1165 1933.3191 111.2210 -206131.0544 17763.2823 0.0000 0.0000 34172.1887 -149362.7577 298.4342 -183534.9464 -149265.2672 298.2138 -5.5748 23.4514 557726.6256 16.1478 16.2337 PRESSURE: 3633400 269.722 -137.439 120.536 -137.44 129.005 140.337 120.535 140.336 -13.996 GPRESSURE: 3633400 256.368 -91.4859 111.069 -127.769 222.461 145.736 128.88 111.052 16.5295 PRESSAVG: 3633400 22.1159 -2.16975 13.2016 -2.16977 53.3532 -20.4859 13.2017 -20.4858 -95.5287 GPRESSAVG: 3633400 22.6021 -2.2692 15.9374 -0.683096 53.2549 -22.904 13.2725 -20.9261 -95.2447 TIMING: 3633400 CPU: 10810.6, 0.00293505/step Wall: 10810.6, 0.00293505/step, 1.11418 hours remaining, 207.445312 MB of memory in use. ENERGY: 3633400 714.1322 2091.7533 1942.0859 108.2801 -205702.5113 17720.1198 0.0000 0.0000 34127.1465 -148998.9933 298.0409 -183126.1399 -148906.0620 299.1758 128.2437 165.1194 557781.5459 -6.6865 -6.4626 PRESSURE: 3633600 208.58 -74.1402 180.417 -74.1411 -102.99 38.0855 180.417 38.0835 -101.804 GPRESSURE: 3633600 270.052 -95.39 181.81 -105.157 -88.9032 57.3499 186.709 -22.8021 -76.4129 PRESSAVG: 3633600 1.38576 -58.909 42.9138 -58.909 22.3696 12.3732 42.9137 12.3731 -5.50718 GPRESSAVG: 3633600 1.59588 -60.7615 40.2497 -58.065 22.2412 12.8044 44.0857 12.8306 -6.44969 TIMING: 3633600 CPU: 10811.2, 0.00294359/step Wall: 10811.2, 0.00294359/step, 1.11726 hours remaining, 207.445312 MB of memory in use. ENERGY: 3633600 709.0290 2076.0925 1958.7689 121.8887 -205660.6940 17767.4196 0.0000 0.0000 34131.6127 -148895.8826 298.0799 -183027.4953 -148797.2285 299.6629 1.2618 34.9121 560467.1663 6.0827 5.7958 PRESSURE: 3633800 -51.0416 -222.631 54.6968 -222.631 -335.122 24.0114 54.6958 24.0119 -209.242 GPRESSURE: 3633800 22.0797 -278.514 31.9866 -200.52 -307.984 31.0386 2.75884 -52.8838 -214.349 PRESSAVG: 3633800 105.498 -40.6813 55.9505 -40.6812 -23.8299 -3.2974 55.9506 -3.29759 -73.7523 GPRESSAVG: 3633800 105.344 -38.8335 59.057 -42.4767 -23.8494 -3.61865 54.384 -3.17037 -73.7729 TIMING: 3633800 CPU: 10811.8, 0.00294753/step Wall: 10811.8, 0.00294753/step, 1.11859 hours remaining, 207.445312 MB of memory in use. ENERGY: 3633800 754.7385 2097.1824 1958.1183 126.7290 -205455.7629 17498.8691 0.0000 0.0000 34266.7726 -148753.3530 299.2602 -183020.1257 -148654.7544 300.3062 -198.4684 -166.7510 559666.9262 2.6386 2.5739 PRESSURE: 3634000 156.761 -7.07974 2.60055 -7.07984 123.747 -17.7941 2.60038 -17.7956 -169.773 GPRESSURE: 3634000 133.095 45.2442 -32.1824 39.0351 176.021 26.1593 15.1597 -48.6937 -100.277 PRESSAVG: 3634000 -1.67349 -61.6584 8.36267 -61.6585 21.4814 -1.84394 8.36258 -1.84388 -47.2529 GPRESSAVG: 3634000 -1.24441 -61.8005 6.77489 -62.2203 19.8771 0.271547 9.47042 -2.03084 -46.6262 TIMING: 3634000 CPU: 10812.4, 0.00295401/step Wall: 10812.4, 0.00295401/step, 1.12088 hours remaining, 207.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3634000 737.1308 2140.7448 1953.2715 111.4939 -205892.0942 17854.1210 0.0000 0.0000 34271.2179 -148824.1145 299.2991 -183095.3323 -148729.6184 300.2874 36.9120 69.6130 560230.1681 -9.1483 -9.3312 PRESSURE: 3634200 -75.1926 28.2699 140.927 28.271 99.9984 181.403 140.928 181.402 165.429 GPRESSURE: 3634200 -38.9495 19.1402 84.8159 86.3924 198.079 204.472 93.9533 126.511 125.938 PRESSAVG: 3634200 66.3433 -24.4555 13.6441 -24.4555 17.4598 -10.9999 13.6441 -11 -108.344 GPRESSAVG: 3634200 66.2873 -24.7897 14.1142 -23.4775 18.5425 -13.1602 12.1183 -10.0847 -109.799 TIMING: 3634200 CPU: 10813, 0.00293732/step Wall: 10813, 0.00293732/step, 1.11439 hours remaining, 207.445312 MB of memory in use. ENERGY: 3634200 743.0261 2072.8812 1926.2815 117.2118 -206239.6881 17934.6642 0.0000 0.0000 34443.7438 -149001.8795 300.8058 -183445.6232 -148909.2128 300.2888 63.4118 95.0225 558643.0026 -8.1803 -8.3232 PRESSURE: 3634400 132.029 -42.5436 46.2825 -42.5426 111.916 -93.2108 46.2835 -93.2115 -247.094 GPRESSURE: 3634400 199.57 -23.339 34.2039 -94.1737 185.878 -138.611 15.7452 -56.4952 -279.705 PRESSAVG: 3634400 68.5366 30.9999 25.5716 30.9998 -9.41832 -0.730171 25.5715 -0.730193 -63.5507 GPRESSAVG: 3634400 68.0669 32.6029 23.334 29.9553 -9.41541 -0.305951 26.3433 -2.32607 -63.1002 TIMING: 3634400 CPU: 10813.6, 0.00293124/step Wall: 10813.6, 0.00293124/step, 1.11192 hours remaining, 207.445312 MB of memory in use. ENERGY: 3634400 748.9303 2083.7023 1969.6069 106.6073 -206168.2365 17741.4783 0.0000 0.0000 34576.3471 -148941.5641 301.9638 -183517.9112 -148846.9025 300.6509 -1.0497 35.2477 558075.9820 -1.4775 -1.4829 PRESSURE: 3634600 -20.3821 90.1256 38.6761 90.1258 -162.915 -23.9131 38.6763 -23.9121 -131.623 GPRESSURE: 3634600 -22.6889 179.221 37.7852 45.2803 -105.028 58.4965 33.6442 -105.981 -89.7572 PRESSAVG: 3634600 50.0941 -48.2039 49.6021 -48.2039 13.0659 -69.1764 49.6021 -69.1765 -52.4881 GPRESSAVG: 3634600 50.8436 -48.1071 49.3027 -49.1792 12.1669 -68.4814 50.5887 -67.9853 -52.1663 TIMING: 3634600 CPU: 10814.2, 0.00294918/step Wall: 10814.2, 0.00294918/step, 1.11856 hours remaining, 207.445312 MB of memory in use. ENERGY: 3634600 773.6443 2027.6433 1981.9354 114.1716 -206238.7279 17962.7312 0.0000 0.0000 34516.4590 -148862.1431 301.4408 -183378.6021 -148765.8193 300.3526 -104.9736 -72.4915 560046.8911 3.5573 3.6147 PRESSURE: 3634800 -91.0638 -49.3963 17.2969 -49.3958 -233.246 -44.0547 17.296 -44.0563 -307.252 GPRESSURE: 3634800 -80.4501 -76.563 46.3793 20.8758 -197.725 -44.49 88.4691 -46.3031 -250.595 PRESSAVG: 3634800 -58.4054 16.9195 16.7766 16.9195 10.5503 -7.81542 16.7764 -7.81544 -3.27914 GPRESSAVG: 3634800 -58.4386 15.2947 18.3319 18.0016 10.8654 -9.04817 18.2705 -9.27997 -3.63152 TIMING: 3634800 CPU: 10814.8, 0.00293357/step Wall: 10814.8, 0.00293357/step, 1.11247 hours remaining, 207.445312 MB of memory in use. ENERGY: 3634800 751.0177 2036.0982 1937.1576 119.9006 -205595.3440 17472.5554 0.0000 0.0000 34102.5207 -149176.0938 297.8258 -183278.6145 -149083.4443 300.0514 -210.5205 -176.2565 559240.0063 -17.0447 -17.0682 PRESSURE: 3635000 -60.5187 -2.326 -58.8674 -2.32524 149.478 110.852 -58.8678 110.854 -30.5801 GPRESSURE: 3635000 -58.2054 41.8888 -30.7449 2.63418 212.633 117.224 -19.1894 140.952 10.4443 PRESSAVG: 3635000 -24.2084 -13.8012 49.7827 -13.8012 52.8657 -23.029 49.7826 -23.029 -6.14998 GPRESSAVG: 3635000 -24.6639 -12.1383 51.1398 -14.3173 52.8278 -19.4358 48.4878 -23.212 -5.33305 TIMING: 3635000 CPU: 10815.3, 0.00295423/step Wall: 10815.3, 0.00295423/step, 1.12014 hours remaining, 207.445312 MB of memory in use. ENERGY: 3635000 752.4207 2116.6084 1958.1140 119.6665 -206591.6314 18108.7442 0.0000 0.0000 34285.2540 -149250.8236 299.4217 -183536.0776 -149157.9781 299.1507 19.4599 54.9572 558355.9291 7.5024 7.6103 PRESSURE: 3635200 -20.197 -36.594 158.516 -36.593 125.824 95.6082 158.515 95.6089 160.246 GPRESSURE: 3635200 -10.8415 -8.53221 172.761 4.45517 131.154 11.7255 147.378 168.903 234.821 PRESSAVG: 3635200 -17.2685 21.8698 49.3287 21.8699 17.3195 -0.84407 49.3287 -0.844148 -11.0472 GPRESSAVG: 3635200 -17.1494 22.1529 48.859 21.1593 17.92 -4.2735 47.3991 1.54127 -11.9004 TIMING: 3635200 CPU: 10815.9, 0.00295776/step Wall: 10815.9, 0.00295776/step, 1.12132 hours remaining, 207.445312 MB of memory in use. ENERGY: 3635200 740.6079 2097.8046 1918.8623 115.8340 -206543.3170 18007.4304 0.0000 0.0000 34327.4400 -149335.3378 299.7901 -183662.7779 -149235.9151 299.2018 88.6245 118.3779 557481.7392 -3.6654 -3.7099 PRESSURE: 3635400 -105.363 22.1391 -65.2768 22.139 71.3785 -33.0992 -65.2764 -33.099 81.0839 GPRESSURE: 3635400 -97.3178 96.1735 -59.3695 -120.251 93.2359 -49.6669 7.4726 47.0168 157.044 PRESSAVG: 3635400 -10.5545 -52.1726 -10.8909 -52.1726 27.5007 -6.20788 -10.8909 -6.20768 7.70355 GPRESSAVG: 3635400 -10.5953 -52.9335 -11.9234 -51.9794 27.7275 -4.1415 -8.52462 -6.44935 7.73828 TIMING: 3635400 CPU: 10816.5, 0.00295706/step Wall: 10816.5, 0.00295706/step, 1.12089 hours remaining, 207.445312 MB of memory in use. ENERGY: 3635400 724.9117 2097.5273 1953.6444 106.8662 -206221.4942 17931.8050 0.0000 0.0000 34090.5183 -149316.2213 297.7210 -183406.7396 -149217.0471 298.9311 15.6996 50.9875 559859.1754 8.2166 8.2902 PRESSURE: 3635600 112.297 39.96 102.195 39.961 -200.514 -19.5 102.195 -19.5002 137.74 GPRESSURE: 3635600 165.679 -62.693 47.0832 70.0159 -138.388 -146.762 143.362 13.2558 127.326 PRESSAVG: 3635600 -61.0326 11.2421 33.6697 11.2422 13.327 8.38102 33.6697 8.38115 -20.4804 GPRESSAVG: 3635600 -61.674 11.8551 35.7818 11.5462 12.894 7.99 32.9235 8.40708 -19.7663 TIMING: 3635600 CPU: 10817.1, 0.00294424/step Wall: 10817.1, 0.00294424/step, 1.11587 hours remaining, 207.445312 MB of memory in use. ENERGY: 3635600 751.1725 2195.4153 1959.8082 111.0917 -206591.4867 18054.9341 0.0000 0.0000 34077.9004 -149441.1646 297.6108 -183519.0650 -149345.2779 298.4849 16.5079 51.5391 558202.2010 -22.7287 -22.8487 PRESSURE: 3635800 -28.3207 175.408 10.9485 175.408 -79.6411 43.7284 10.9486 43.7296 -59.6004 GPRESSURE: 3635800 -21.7304 192.407 5.29693 137.766 -62.7197 59.2844 6.34606 51.0874 31.4038 PRESSAVG: 3635800 29.1894 33.3692 57.7951 33.3692 -46.2008 -89.6665 57.795 -89.6665 63.6424 GPRESSAVG: 3635800 29.0514 31.7245 56.9591 34.4512 -45.5585 -88.1087 58.8595 -92.0738 63.1626 TIMING: 3635800 CPU: 10817.7, 0.00296375/step Wall: 10817.7, 0.00296375/step, 1.1231 hours remaining, 207.445312 MB of memory in use. ENERGY: 3635800 737.6871 2009.0975 1937.1245 114.6081 -206339.5146 17749.7375 0.0000 0.0000 34234.2492 -149557.0106 298.9762 -183791.2598 -149458.9701 298.5759 -55.8541 -17.6821 557535.1431 15.5437 15.5518 PRESSURE: 3636000 -324.335 -6.20429 -23.063 -6.20497 -6.50067 -37.4797 -23.0626 -37.4793 -88.2103 GPRESSURE: 3636000 -332.208 3.07699 -13.5535 8.01235 71.7932 -17.0453 -4.41353 -72.0283 -60.5556 PRESSAVG: 3636000 -55.42 1.18056 22.5694 1.18057 17.0827 -44.5367 22.5695 -44.5367 42.3334 GPRESSAVG: 3636000 -55.1371 0.846143 23.3756 1.05712 16.8816 -44.2291 22.3074 -44.7018 43.1125 TIMING: 3636000 CPU: 10818.3, 0.00296184/step Wall: 10818.3, 0.00296184/step, 1.12221 hours remaining, 207.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3636000 772.9188 2177.5233 1922.6011 112.2159 -206413.2064 17620.5523 0.0000 0.0000 34168.4465 -149638.9487 298.4015 -183807.3951 -149545.5753 298.4715 -139.6818 -106.9902 556877.1538 1.3320 1.6190 PRESSURE: 3636200 -89.4492 -44.461 -188.259 -44.4608 -168.939 10.7594 -188.258 10.759 -223.384 GPRESSURE: 3636200 -49.3942 -33.1786 -289.505 18.0976 -136.158 30.4144 -141.314 -60.6359 -190.909 PRESSAVG: 3636200 19.0455 -52.6315 10.8049 -52.6316 -42.8493 -26.2446 10.8049 -26.2444 77.6174 GPRESSAVG: 3636200 20.9392 -52.5217 9.46566 -53.9729 -43.1146 -29.6172 10.8569 -23.0065 76.3268 TIMING: 3636200 CPU: 10818.9, 0.00297887/step Wall: 10818.9, 0.00297887/step, 1.1285 hours remaining, 207.445312 MB of memory in use. ENERGY: 3636200 709.4079 2146.0682 1924.0938 109.9062 -206442.1055 17607.2391 0.0000 0.0000 34179.0164 -149766.3738 298.4939 -183945.3902 -149677.3266 298.3069 -160.5908 -125.4871 557059.9971 17.9378 18.0505 LDB: ============= START OF LOAD BALANCING ============== 10822.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10822.4 LDB: =============== DONE WITH MIGRATION ================ 10822.4 LDB: ============= START OF LOAD BALANCING ============== 10822.7 LDB: Largest compute 4802 load 0.025382 is 21.5% of average load 0.118256 LDB: Average compute 0.001741 is 1.5% of average load 0.118256 LDB: TIME 10822.7 LOAD: AVG 0.118256 MAX 0.198203 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.172 MB LDB: TIME 10822.7 LOAD: AVG 0.118256 MAX 0.198203 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.305 MB LDB: TIME 10822.7 LOAD: AVG 0.118256 MAX 0.198203 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.305 MB LDB: ============== END OF LOAD BALANCING =============== 10822.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10822.8 PRESSURE: 3636400 -197.052 -49.7889 101.985 -49.7885 -200.408 26.908 101.985 26.9075 -126.51 GPRESSURE: 3636400 -183.244 -8.10939 90.6585 -37.1504 -181.437 35.6105 82.4667 -40.058 -58.6704 PRESSAVG: 3636400 45.8149 1.57294 0.97434 1.5729 14.4074 0.660319 0.974305 0.66028 -75.409 GPRESSAVG: 3636400 45.9528 2.68972 0.756591 2.36295 13.7076 3.61327 1.2237 -2.97934 -75.3265 TIMING: 3636400 CPU: 10819.5, 0.00304429/step Wall: 10819.5, 0.00304429/step, 1.15311 hours remaining, 209.359375 MB of memory in use. ENERGY: 3636400 771.3187 2108.4364 1958.2496 96.1595 -206359.7958 17649.2121 0.0000 0.0000 33827.8082 -149948.6114 295.4267 -183776.4196 -149855.9360 297.2920 -174.6568 -141.1173 557002.3627 -5.0622 -5.2221 PRESSURE: 3636600 135.022 -43.71 -29.1905 -43.7115 230.38 -106.686 -29.1917 -106.685 -100.923 GPRESSURE: 3636600 133.917 -62.1898 -86.495 10.776 284.086 -72.5411 91.9071 -85.9272 -63.679 PRESSAVG: 3636600 83.264 -31.7981 23.5698 -31.7981 13.4261 87.9628 23.5698 87.9628 -47.8611 GPRESSAVG: 3636600 81.8386 -32.0813 22.5128 -32.3979 14.5396 86.6315 25.5492 90.1326 -47.1961 TIMING: 3636600 CPU: 10820.1, 0.00295671/step Wall: 10820.1, 0.00295671/step, 1.11977 hours remaining, 209.578125 MB of memory in use. ENERGY: 3636600 745.5433 2089.8785 1924.2204 101.8570 -206946.4556 17962.3670 0.0000 0.0000 34269.6284 -149852.9610 299.2852 -184122.5894 -149758.4235 297.3579 88.1595 118.1080 556587.4239 16.2763 16.3940 PRESSURE: 3636800 15.3872 -218.122 143.395 -218.122 -190.367 -7.362 143.395 -7.36125 -229.519 GPRESSURE: 3636800 90.0724 -223.122 150.053 -272.864 -189.896 -32.2873 62.6689 37.1044 -206.534 PRESSAVG: 3636800 39.2912 0.00581257 22.9035 0.00588798 -5.53716 34.9308 22.9035 34.931 -33.4916 GPRESSAVG: 3636800 39.4648 -0.401473 22.9874 -0.188 -4.82468 34.5482 22.8011 34.0837 -34.6524 TIMING: 3636800 CPU: 10820.7, 0.00293043/step Wall: 10820.7, 0.00293043/step, 1.10966 hours remaining, 209.578125 MB of memory in use. ENERGY: 3636800 776.0034 2079.9356 1936.6218 129.2974 -206351.3862 17622.0825 0.0000 0.0000 33989.9646 -149817.4809 296.8428 -183807.4455 -149727.6885 297.6975 -134.8330 -102.1189 557900.4986 0.0875 -0.0041 PRESSURE: 3637000 -162.995 -29.3153 -149.936 -29.3156 -76.03 42.3038 -149.936 42.3064 -91.5375 GPRESSURE: 3637000 -174.906 -54.5403 -121.663 38.6895 -1.98455 27.1106 -123.925 12.6352 -58.7732 PRESSAVG: 3637000 31.6982 -5.05964 42.2868 -5.05967 14.4466 28.0837 42.2869 28.0835 -6.6823 GPRESSAVG: 3637000 32.6134 -4.6747 45.4461 -5.52778 13.2563 27.2213 39.7713 29.6903 -6.9257 TIMING: 3637000 CPU: 10821.3, 0.00296025/step Wall: 10821.3, 0.00296025/step, 1.12078 hours remaining, 209.578125 MB of memory in use. ENERGY: 3637000 751.6754 2106.7458 1940.2854 119.2045 -206700.2197 17866.9897 0.0000 0.0000 34093.9857 -149821.3333 297.7513 -183915.3190 -149720.8987 297.6151 -110.1876 -78.5546 556455.7922 13.1542 12.9813 PRESSURE: 3637200 -109.951 120.645 -63.9863 120.645 -29.115 74.5477 -63.985 74.547 -181.828 GPRESSURE: 3637200 -4.86727 164.386 -81.0355 29.1064 -16.7598 102.045 10.118 10.85 -196.608 PRESSAVG: 3637200 -32.9769 -27.3331 -30.4464 -27.3331 36.4754 5.9065 -30.4464 5.90662 -5.89109 GPRESSAVG: 3637200 -32.937 -28.0005 -32.0984 -26.1629 37.3583 7.88938 -27.2717 4.69173 -6.99442 TIMING: 3637200 CPU: 10821.9, 0.00294128/step Wall: 10821.9, 0.00294129/step, 1.11344 hours remaining, 209.578125 MB of memory in use. ENERGY: 3637200 771.2159 2130.7946 1932.0330 115.7957 -206596.6535 17718.1530 0.0000 0.0000 34068.6320 -149860.0293 297.5298 -183928.6613 -149769.2137 297.1528 -106.9649 -72.7450 555722.9994 -0.7975 -0.8577 PRESSURE: 3637400 -131.298 160.463 15.7062 160.464 84.9389 160.002 15.7061 160.003 -400.078 GPRESSURE: 3637400 -99.3153 152.008 55.8453 167.333 67.595 172.915 26.119 91.8361 -310.489 PRESSAVG: 3637400 34.409 -29.1584 -16.5237 -29.1583 4.11602 -5.05703 -16.5237 -5.05705 -52.4067 GPRESSAVG: 3637400 33.9919 -30.3171 -17.6391 -28.1221 3.69016 -5.46955 -16.8079 -3.87724 -51.2151 TIMING: 3637400 CPU: 10822.4, 0.00293326/step Wall: 10822.4, 0.00293326/step, 1.11024 hours remaining, 209.578125 MB of memory in use. ENERGY: 3637400 721.9414 2130.6897 1945.9614 110.2958 -206370.2599 17529.0659 0.0000 0.0000 34178.9282 -149753.3774 298.4931 -183932.3057 -149656.8600 297.9541 -148.8124 -114.0699 555870.0511 -4.6272 -4.5110 PRESSURE: 3637600 -196.105 95.9193 -55.7404 95.9193 -67.992 97.8699 -55.7399 97.8701 -170.917 GPRESSURE: 3637600 -65.2019 35.0824 -33.8126 179.772 -68.5572 122.972 15.3253 57.4356 -187.789 PRESSAVG: 3637600 -39.6959 8.42941 -52.5228 8.42943 45.3477 16.5632 -52.5228 16.5631 -13.5535 GPRESSAVG: 3637600 -40.4264 9.47276 -50.2907 8.46559 47.519 17.732 -54.0405 15.8657 -14.96 TIMING: 3637600 CPU: 10823, 0.00297349/step Wall: 10823, 0.00297349/step, 1.1253 hours remaining, 209.578125 MB of memory in use. ENERGY: 3637600 744.5431 2114.3541 1937.1684 118.0853 -206500.1449 17805.7748 0.0000 0.0000 33973.7211 -149806.4981 296.7010 -183780.2193 -149713.8837 297.9454 -145.0049 -107.1829 556559.7989 -2.6339 -2.6225 PRESSURE: 3637800 197.412 32.6364 -149.447 32.6359 23.3238 50.5905 -149.449 50.5907 -115.116 GPRESSURE: 3637800 213.817 44.4356 -184.936 6.75195 54.0548 31.5863 -151.576 47.846 -62.5018 PRESSAVG: 3637800 -11.895 -1.83302 -59.9849 -1.833 47.5322 11.6526 -59.985 11.6526 -35.2955 GPRESSAVG: 3637800 -10.5467 -0.274646 -59.4177 -2.33093 45.5505 11.8816 -60.3624 11.2708 -34.8121 TIMING: 3637800 CPU: 10823.6, 0.00298069/step Wall: 10823.6, 0.00298069/step, 1.12786 hours remaining, 209.578125 MB of memory in use. ENERGY: 3637800 738.2995 2092.3791 1949.7728 122.2692 -206751.3570 17998.0716 0.0000 0.0000 34070.2611 -149780.3037 297.5441 -183850.5648 -149681.5734 297.3700 35.2067 68.4566 555085.9519 0.1139 0.0639 PRESSURE: 3638000 255.966 -66.1994 100.426 -66.199 -237.315 42.3985 100.425 42.3993 41.3538 GPRESSURE: 3638000 226.574 -96.4155 59.8611 -31.143 -122.046 29.8566 59.0304 -47.229 59.0427 PRESSAVG: 3638000 -39.9383 26.1035 15.4242 26.1035 56.4544 23.6183 15.424 23.6183 -63.5888 GPRESSAVG: 3638000 -40.9937 25.6692 14.6877 25.2663 55.8632 23.2506 15.3671 20.6886 -62.4554 TIMING: 3638000 CPU: 10824.2, 0.00297444/step Wall: 10824.2, 0.00297444/step, 1.12533 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3638000 780.8473 2013.5300 1949.2617 101.8676 -206482.7534 17856.2072 0.0000 0.0000 34102.1066 -149678.9330 297.8222 -183781.0396 -149577.2017 298.3058 20.0017 54.5238 555838.9644 -15.6909 -15.8620 PRESSURE: 3638200 124.399 95.2287 137.445 95.2277 -127.123 -60.7534 137.443 -60.7526 134.244 GPRESSURE: 3638200 194.934 83.0532 114.526 22.9145 -141.063 -85.7626 166.965 -14.5053 173.92 PRESSAVG: 3638200 101.564 -14.7387 60.5268 -14.7387 13.2816 -12.126 60.5268 -12.126 -103.182 GPRESSAVG: 3638200 101.546 -15.9323 60.9265 -15.3223 13.498 -11.6504 60.153 -8.74463 -103.991 TIMING: 3638200 CPU: 10824.8, 0.00295848/step Wall: 10824.8, 0.00295848/step, 1.11913 hours remaining, 209.578125 MB of memory in use. ENERGY: 3638200 734.6870 2129.8202 1950.4090 123.1807 -206784.8207 17982.9487 0.0000 0.0000 34203.6542 -149660.1208 298.7090 -183863.7750 -149563.5235 298.3057 43.8403 75.9303 556258.7906 3.8878 3.6842 PRESSURE: 3638400 145.115 -57.9774 -107.848 -57.977 -11.2115 -184.267 -107.847 -184.268 287.255 GPRESSURE: 3638400 151.945 51.5236 -145.583 -46.3994 18.3944 -160.101 -84.1689 -128.358 355.89 PRESSAVG: 3638400 39.4951 -6.34692 30.5515 -6.34682 -31.808 5.48716 30.5514 5.48725 -14.5568 GPRESSAVG: 3638400 38.7527 -4.60811 31.0691 -5.81868 -32.7136 5.82398 31.3698 4.66569 -13.6468 TIMING: 3638400 CPU: 10825.4, 0.00292053/step Wall: 10825.4, 0.00292053/step, 1.10461 hours remaining, 209.578125 MB of memory in use. ENERGY: 3638400 712.4555 2122.5960 1949.4836 116.5863 -206907.6981 18181.0985 0.0000 0.0000 34103.5424 -149721.9358 297.8347 -183825.4782 -149626.5352 298.0532 140.3861 175.4096 556488.2275 -2.2899 -2.5359 PRESSURE: 3638600 155.994 -22.0212 -40.1516 -22.0221 -141.378 27.5895 -40.1528 27.5889 127.866 GPRESSURE: 3638600 142.645 -36.3057 -69.6969 -79.8203 -77.6854 114.061 -107.384 -93.5623 165.915 PRESSAVG: 3638600 14.3702 -25.4245 -7.69481 -25.4244 -38.1231 45.677 -7.69482 45.6769 -3.93012 GPRESSAVG: 3638600 16.0915 -25.7039 -9.95779 -24.5292 -38.0866 46.3048 -6.37254 44.6971 -5.78155 TIMING: 3638600 CPU: 10826, 0.00294543/step Wall: 10826, 0.00294543/step, 1.11386 hours remaining, 209.578125 MB of memory in use. ENERGY: 3638600 752.3586 2050.0028 1956.0849 117.5434 -206832.1718 17993.9027 0.0000 0.0000 34236.8910 -149725.3885 298.9993 -183962.2795 -149627.2944 297.7450 47.4937 76.9583 556555.1729 -9.2277 -9.2589 PRESSURE: 3638800 -89.461 69.4416 -63.6897 69.4403 151.171 -128.861 -63.6899 -128.862 -4.18898 GPRESSURE: 3638800 -59.787 62.7988 -63.4598 14.6396 239.246 -61.4685 25.2088 -199.806 -19.9434 PRESSAVG: 3638800 18.2524 -0.33008 -25.2713 -0.330093 -1.05682 -20.4947 -25.2713 -20.4947 20.9601 GPRESSAVG: 3638800 17.9835 0.833281 -22.8702 -1.75021 -0.936308 -20.4286 -26.0964 -23.1227 21.0159 TIMING: 3638800 CPU: 10826.6, 0.00295521/step Wall: 10826.6, 0.00295521/step, 1.1174 hours remaining, 209.578125 MB of memory in use. ENERGY: 3638800 770.1958 2046.4900 1929.5396 123.2749 -206493.4424 17725.4666 0.0000 0.0000 34069.5198 -149828.9558 297.5376 -183898.4756 -149737.7459 297.9934 19.1737 53.1719 553676.8409 12.7185 12.6877 PRESSURE: 3639000 -20.7216 163.787 -93.8661 163.788 -60.6308 -57.2872 -93.8662 -57.286 152.854 GPRESSURE: 3639000 4.68617 239.09 -89.1422 82.3477 -10.7486 -49.9133 -180.78 -109.472 161.913 PRESSAVG: 3639000 -16.5618 -44.4201 6.83096 -44.4201 -3.09163 5.07252 6.83094 5.07242 -0.691297 GPRESSAVG: 3639000 -16.2019 -47.2652 4.53408 -44.0541 -3.29507 3.51916 7.32368 7.87602 -0.744487 TIMING: 3639000 CPU: 10827.2, 0.00295716/step Wall: 10827.2, 0.00295716/step, 1.11797 hours remaining, 209.578125 MB of memory in use. ENERGY: 3639000 764.0494 2063.2443 1939.5405 111.2015 -206893.4063 18009.6756 0.0000 0.0000 34178.0531 -149827.6419 298.4854 -184005.6950 -149726.2591 297.8912 23.8340 51.9501 556612.1138 -6.7816 -6.7471 PRESSURE: 3639200 233.632 160.996 -42.451 160.996 82.572 -60.121 -42.451 -60.1222 -69.0802 GPRESSURE: 3639200 247.577 130.089 -43.9018 116.582 118.243 -15.5226 -92.2008 -25.6248 -24.0415 PRESSAVG: 3639200 59.8549 -30.095 -24.8292 -30.095 -9.35839 15.8561 -24.8292 15.8561 -29.5831 GPRESSAVG: 3639200 58.2921 -28.5137 -21.8176 -30.3331 -8.64663 14.1545 -25.9085 17.0771 -28.9294 TIMING: 3639200 CPU: 10827.8, 0.00296529/step Wall: 10827.8, 0.00296529/step, 1.12088 hours remaining, 209.578125 MB of memory in use. ENERGY: 3639200 729.3756 2061.7235 1915.8689 110.0393 -206617.7564 17960.3051 0.0000 0.0000 34212.2001 -149628.2439 298.7837 -183840.4440 -149539.9265 298.0552 82.3747 113.9263 555893.4690 6.9711 6.9054 PRESSURE: 3639400 -129.694 24.0273 7.60549 24.0271 -86.2393 51.7663 7.60578 51.7673 134.701 GPRESSURE: 3639400 -136.099 -83.295 -41.7379 -8.63248 -49.866 3.00171 34.3644 55.2586 197.984 PRESSAVG: 3639400 -29.8353 -11.7507 15.8737 -11.7507 -21.9942 -30.2541 15.8737 -30.254 56.1212 GPRESSAVG: 3639400 -30.0286 -11.7711 14.1539 -9.92444 -21.6998 -27.353 16.1917 -31.5769 56.2955 TIMING: 3639400 CPU: 10828.4, 0.00294066/step Wall: 10828.4, 0.00294066/step, 1.1114 hours remaining, 209.578125 MB of memory in use. ENERGY: 3639400 728.7555 2085.1679 1962.2481 111.7560 -206569.5921 17820.5147 0.0000 0.0000 34151.4539 -149709.6959 298.2531 -183861.1499 -149622.3315 298.1015 -27.0775 4.0062 556476.7356 1.4306 1.5224 PRESSURE: 3639600 -194.165 68.0204 3.90148 68.0206 125.563 49.4378 3.90154 49.4365 15.5674 GPRESSURE: 3639600 -126.957 37.6956 -72.4341 94.8401 127.552 -74.5655 61.1176 50.6201 36.1107 PRESSAVG: 3639600 5.85182 -17.6941 37.9503 -17.6941 -19.9372 -6.25378 37.9503 -6.25369 6.76577 GPRESSAVG: 3639600 5.24974 -19.7316 35.3002 -17.1375 -19.3793 -9.06642 40.7693 -5.58964 6.32779 TIMING: 3639600 CPU: 10829, 0.00293031/step Wall: 10829, 0.00293031/step, 1.10733 hours remaining, 209.578125 MB of memory in use. ENERGY: 3639600 744.2252 2078.8508 1930.8585 118.2970 -206695.0720 17813.1911 0.0000 0.0000 34237.7012 -149771.9481 299.0064 -184009.6493 -149674.7197 298.1297 -17.6783 12.2353 556634.8051 -2.4399 -2.6006 PRESSURE: 3639800 -82.5133 53.3399 -1.78281 53.3383 120.148 -196.959 -1.78271 -196.961 251.71 GPRESSURE: 3639800 -44.4687 63.8375 0.306424 9.12431 196.027 -174.133 13.6283 -129.976 248.406 PRESSAVG: 3639800 -31.0138 -9.24404 -8.00379 -9.24398 -25.7027 -26.497 -8.00388 -26.497 57.7199 GPRESSAVG: 3639800 -30.8747 -6.43816 -6.48423 -9.95032 -26.0405 -22.3785 -10.1221 -26.7658 57.1178 TIMING: 3639800 CPU: 10829.5, 0.00293937/step Wall: 10829.5, 0.00293937/step, 1.11059 hours remaining, 209.578125 MB of memory in use. ENERGY: 3639800 736.4440 2062.2853 1945.3192 115.9832 -206597.6217 18031.1716 0.0000 0.0000 33971.3780 -149735.0405 296.6805 -183706.4184 -149645.6418 297.8940 96.4485 133.3213 555728.1512 0.3345 0.0675 PRESSURE: 3640000 169.453 97.2167 -116.585 97.216 -56.9204 39.7808 -116.586 39.7798 -36.6771 GPRESSURE: 3640000 152.49 97.73 -68.9682 122.593 -20.9123 105.253 -164.746 6.45127 50.4407 PRESSAVG: 3640000 46.7587 -6.46255 -32.8232 -6.46263 -26.8659 -13.6753 -32.8231 -13.6752 -3.58758 GPRESSAVG: 3640000 47.8952 -6.23448 -31.0105 -7.65771 -26.7999 -15.6184 -32.762 -13.9356 -4.36569 TIMING: 3640000 CPU: 10830.1, 0.00294557/step Wall: 10830.1, 0.00294557/step, 1.11277 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3640000 736.7474 2074.0540 1953.0301 94.0239 -206576.9098 17958.7429 0.0000 0.0000 34209.7520 -149550.5595 298.7623 -183760.3116 -149459.6368 298.1088 25.2851 60.6729 557364.1188 5.4351 5.5765 PRESSURE: 3640200 213.829 86.1421 -152.194 86.1428 50.7291 -39.925 -152.195 -39.9246 -126.984 GPRESSURE: 3640200 232.588 156.224 -141.364 104.508 77.0074 -56.8467 -66.9116 26.6205 -79.5249 PRESSAVG: 3640200 21.3979 66.612 -64.0971 66.612 22.8696 1.43856 -64.0971 1.43856 4.94719 GPRESSAVG: 3640200 20.2915 63.6129 -65.686 67.272 22.1304 2.94762 -63.9481 2.96639 6.60472 TIMING: 3640200 CPU: 10830.7, 0.00295196/step Wall: 10830.7, 0.00295196/step, 1.11502 hours remaining, 209.578125 MB of memory in use. ENERGY: 3640200 740.6076 2080.7257 1944.3063 107.4096 -206146.6973 17793.2539 0.0000 0.0000 34109.8950 -149370.4991 297.8902 -183480.3941 -149272.6356 298.6181 45.8580 76.6900 557230.3862 16.4049 16.3422 LDB: ============= START OF LOAD BALANCING ============== 10834.3 LDB: ============== END OF LOAD BALANCING =============== 10834.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10834.3 LDB: ============= START OF LOAD BALANCING ============== 10834.6 LDB: Largest compute 4796 load 0.026018 is 22.0% of average load 0.118260 LDB: Average compute 0.001737 is 1.5% of average load 0.118260 LDB: TIME 10834.6 LOAD: AVG 0.11826 MAX 0.197431 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.051 MB LDB: TIME 10834.6 LOAD: AVG 0.11826 MAX 0.197431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.051 MB LDB: TIME 10834.6 LOAD: AVG 0.11826 MAX 0.197431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.051 MB LDB: ============== END OF LOAD BALANCING =============== 10834.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10834.6 PRESSURE: 3640400 -28.4691 -272.612 204.99 -272.612 -28.1503 -75.0808 204.99 -75.0819 -357.648 GPRESSURE: 3640400 -25.9498 -180.689 253.298 -330.992 26.3262 -28.9273 131.704 -63.2971 -315.559 PRESSAVG: 3640400 23.4848 -6.77572 -26.0843 -6.77573 20.7929 -11.6298 -26.0843 -11.6299 -51.6321 GPRESSAVG: 3640400 24.7145 -6.76353 -24.6817 -8.04962 20.7605 -11.3177 -26.2264 -13.1117 -52.6199 TIMING: 3640400 CPU: 10831.3, 0.0030038/step Wall: 10831.3, 0.00300381/step, 1.13444 hours remaining, 207.820312 MB of memory in use. ENERGY: 3640400 721.0432 2070.5973 1943.1450 114.4399 -205925.8328 17605.4746 0.0000 0.0000 34186.9930 -149284.1399 298.5635 -183471.1328 -149185.3130 298.9761 -138.0892 -105.0609 560036.4563 -2.4514 -2.3817 PRESSURE: 3640600 71.833 -31.2474 -15.7871 -31.2452 16.7721 -186.06 -15.7865 -186.061 13.5386 GPRESSURE: 3640600 89.003 -78.9557 -2.98241 -30.937 66.9772 -134.622 -42.5692 -171.704 49.2022 PRESSAVG: 3640600 -0.324449 -25.1472 9.61475 -25.1472 39.7952 -6.01536 9.61474 -6.01541 -14.3097 GPRESSAVG: 3640600 -1.68796 -22.1549 7.85623 -24.8764 40.4439 -6.75596 7.93405 -6.77032 -13.5556 TIMING: 3640600 CPU: 10831.9, 0.00299251/step Wall: 10831.9, 0.00299251/step, 1.13001 hours remaining, 207.820312 MB of memory in use. ENERGY: 3640600 759.7036 1987.6602 1939.7395 107.0407 -206345.4474 17941.3751 0.0000 0.0000 34239.2340 -149370.6942 299.0197 -183609.9282 -149267.7122 299.3670 34.0479 68.3941 558257.7690 8.3870 8.4001 PRESSURE: 3640800 -109.031 -53.4651 4.7576 -53.4643 -107.372 -110.747 4.75721 -110.747 -33.0167 GPRESSURE: 3640800 -121.212 -90.1563 -34.2206 -28.0193 -84.435 -83.0013 24.5685 -57.672 52.9588 PRESSAVG: 3640800 17.2793 -37.5224 -0.236237 -37.5224 56.5034 -23.4786 -0.236198 -23.4786 -67.9236 GPRESSAVG: 3640800 18.1762 -40.1328 -0.843023 -36.013 56.5209 -23.9953 1.41273 -19.9322 -68.8693 TIMING: 3640800 CPU: 10832.5, 0.00294776/step Wall: 10832.5, 0.00294776/step, 1.11294 hours remaining, 207.820312 MB of memory in use. ENERGY: 3640800 745.9027 2079.0060 1929.5507 118.7718 -206082.6519 17783.0220 0.0000 0.0000 34078.7507 -149347.6480 297.6182 -183426.3988 -149248.4813 298.4791 -83.1399 -50.8960 559110.0126 1.9530 1.9426 PRESSURE: 3641000 -294.348 -126.24 36.5293 -126.24 -155.967 -67.1175 36.5301 -67.1174 2.05542 GPRESSURE: 3641000 -225.283 -128.681 20.3581 -157.434 -89.9469 -131.733 49.4231 -33.5948 -39.2856 PRESSAVG: 3641000 19.5518 -48.8247 -28.8342 -48.8247 49.5385 -30.8769 -28.8342 -30.877 -55.753 GPRESSAVG: 3641000 19.0204 -49.5782 -28.0906 -48.9133 48.6939 -30.543 -28.9336 -32.8623 -54.495 TIMING: 3641000 CPU: 10833.1, 0.00295044/step Wall: 10833.1, 0.00295043/step, 1.11379 hours remaining, 207.820312 MB of memory in use. ENERGY: 3641000 690.5232 2056.9188 1955.2329 103.5579 -206018.6433 17582.5119 0.0000 0.0000 34323.9219 -149305.9767 299.7593 -183629.8986 -149208.1671 299.2102 -149.4197 -118.1720 558702.7146 4.4458 4.4064 PRESSURE: 3641200 32.4667 -134.98 -42.6067 -134.981 185.153 -21.4022 -42.6072 -21.4037 96.7928 GPRESSURE: 3641200 53.5254 -135.145 33.411 -194.876 189.337 6.18286 -44.8154 10.3271 172.758 PRESSAVG: 3641200 -31.6991 -37.7601 10.7475 -37.76 4.95097 -10.1177 10.7475 -10.1178 13.9055 GPRESSAVG: 3641200 -31.5922 -37.1476 11.8554 -38.6565 5.38846 -9.74403 8.98138 -9.64025 12.2545 TIMING: 3641200 CPU: 10833.7, 0.00297222/step Wall: 10833.7, 0.00297222/step, 1.12185 hours remaining, 207.820312 MB of memory in use. ENERGY: 3641200 714.5880 2112.1437 1925.7358 110.6703 -206532.2573 18006.5965 0.0000 0.0000 34158.6034 -149503.9196 298.3156 -183662.5230 -149404.6019 298.3603 104.8041 138.5400 557967.4629 -4.2809 -4.6498 PRESSURE: 3641400 246.046 13.6928 -33.1657 13.693 17.2518 -58.7477 -33.1653 -58.748 121.703 GPRESSURE: 3641400 264.504 45.5055 8.09368 -25.6912 40.0546 -78.607 -52.2477 -81.8972 163.337 PRESSAVG: 3641400 -23.0003 24.797 -72.0546 24.7971 -14.3666 0.539972 -72.0546 0.539868 29.2705 GPRESSAVG: 3641400 -22.2945 25.0172 -70.8767 24.42 -14.4033 -0.163023 -72.5244 0.389831 29.2012 TIMING: 3641400 CPU: 10834.3, 0.00296874/step Wall: 10834.3, 0.00296874/step, 1.12037 hours remaining, 207.820312 MB of memory in use. ENERGY: 3641400 726.5825 2113.7744 1942.3572 100.9098 -206704.0078 18173.5104 0.0000 0.0000 34230.7732 -149416.1002 298.9459 -183646.8734 -149321.8185 298.1284 128.3337 155.9652 558661.2707 -2.6988 -2.4989 PRESSURE: 3641600 -103.789 144.764 2.7914 144.763 19.8285 88.5119 2.79177 88.5109 -308.897 GPRESSURE: 3641600 -123.768 114.502 5.75626 254.586 44.1698 24.8487 24.6278 62.7127 -228.679 PRESSAVG: 3641600 22.9529 44.9206 26.4506 44.9206 16.0692 -6.35733 26.4505 -6.35735 -25.2712 GPRESSAVG: 3641600 23.8187 43.7266 24.0778 44.1572 14.8598 -7.00012 28.7681 -7.23548 -24.982 TIMING: 3641600 CPU: 10834.9, 0.00296412/step Wall: 10834.9, 0.00296412/step, 1.11846 hours remaining, 207.820312 MB of memory in use. ENERGY: 3641600 704.5006 2097.3494 1927.0075 115.9763 -206027.7240 17616.1278 0.0000 0.0000 34227.3918 -149339.3707 298.9163 -183566.7625 -149244.3244 299.2429 -130.9524 -102.7593 558300.0348 4.5836 4.5655 PRESSURE: 3641800 90.3778 -25.5489 54.709 -25.5497 61.0546 6.50121 54.7094 6.50117 186.364 GPRESSURE: 3641800 166.847 -8.54871 65.2756 23.957 91.3559 55.922 -8.21544 10.2251 171.638 PRESSAVG: 3641800 -2.82468 49.8813 -9.33322 49.8813 -5.50265 13.965 -9.33314 13.965 -30.2997 GPRESSAVG: 3641800 -2.24549 51.1469 -10.0332 49.996 -5.65517 15.0991 -8.68011 15.1039 -30.7111 TIMING: 3641800 CPU: 10835.5, 0.00296852/step Wall: 10835.5, 0.00296852/step, 1.11996 hours remaining, 207.820312 MB of memory in use. ENERGY: 3641800 735.7110 2115.1596 1974.6749 99.5111 -206753.2177 18156.9656 0.0000 0.0000 34311.2780 -149359.9174 299.6489 -183671.1954 -149264.9724 298.4315 112.5987 143.2804 557770.4399 -12.8757 -12.8706 PRESSURE: 3642000 87.0429 9.7867 -41.6075 9.78628 -121.614 -127.696 -41.6076 -127.697 50.7674 GPRESSURE: 3642000 203.585 44.9396 -116.899 -31.5402 -79.0588 -99.9542 -8.06155 -151.191 10.6561 PRESSAVG: 3642000 21.6414 15.9756 30.9008 15.9755 -24.5251 -29.2675 30.9008 -29.2674 -22.4709 GPRESSAVG: 3642000 21.4247 15.9699 32.4363 16.9258 -24.4886 -30.1144 28.7614 -28.6648 -22.6049 TIMING: 3642000 CPU: 10836.1, 0.00296093/step Wall: 10836.1, 0.00296093/step, 1.11693 hours remaining, 207.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3642000 746.0885 2095.4706 1936.5556 106.7958 -206465.3497 18007.8005 0.0000 0.0000 34153.3578 -149419.2808 298.2698 -183572.6386 -149325.1186 298.8085 5.3986 45.0607 557896.5066 -8.4515 -8.5563 PRESSURE: 3642200 -188.475 -106.522 162.088 -106.523 -15.6409 -28.056 162.088 -28.0562 211.226 GPRESSURE: 3642200 -114.487 -56.4161 221.635 -91.3341 29.8986 -28.949 156.686 26.3006 194.378 PRESSAVG: 3642200 105.318 26.2053 21.469 26.2053 -69.2119 -25.2697 21.4691 -25.2698 -5.13034 GPRESSAVG: 3642200 103.373 28.108 22.367 24.8159 -68.4271 -26.8507 22.9318 -23.8615 -4.67081 TIMING: 3642200 CPU: 10836.7, 0.00295639/step Wall: 10836.7, 0.00295639/step, 1.11505 hours remaining, 207.820312 MB of memory in use. ENERGY: 3642200 716.5321 2134.9259 1967.0330 120.8085 -206537.4527 17863.8980 0.0000 0.0000 34315.9871 -149418.2680 299.6901 -183734.2551 -149316.1657 298.9088 2.3700 36.5965 556429.7412 10.3253 10.0916 PRESSURE: 3642400 173.122 -43.17 -115.051 -43.1695 -33.7322 -31.6717 -115.051 -31.6703 134.922 GPRESSURE: 3642400 210.532 -27.6215 -104.161 -25.5526 9.47905 -71.321 -41.7551 -20.7306 156.594 PRESSAVG: 3642400 -25.1788 62.4628 -40.4046 62.4628 33.9528 -68.447 -40.4046 -68.4471 -8.58511 GPRESSAVG: 3642400 -24.3002 60.839 -41.9919 64.293 34.1767 -69.3305 -40.5369 -69.2497 -9.08444 TIMING: 3642400 CPU: 10837.2, 0.00296322/step Wall: 10837.2, 0.00296322/step, 1.11746 hours remaining, 207.820312 MB of memory in use. ENERGY: 3642400 737.8717 2085.1982 1950.6032 118.9484 -206957.5070 18051.9333 0.0000 0.0000 34401.7487 -149611.2035 300.4390 -184012.9522 -149514.7035 298.9053 91.4372 125.5349 556331.5766 0.0630 0.2640 PRESSURE: 3642600 -232.155 -5.76639 -108.377 -5.76516 39.4356 376.595 -108.377 376.596 -61.8751 GPRESSURE: 3642600 -155.657 103.432 -152.493 -21.7073 25.4324 352.781 -126.528 377.497 -30.1386 PRESSAVG: 3642600 55.3103 58.0726 -35.9114 58.0726 -22.1201 25.7237 -35.9114 25.7236 11.7005 GPRESSAVG: 3642600 54.9346 57.87 -35.5381 57.2737 -22.2614 28.4635 -35.803 25.1035 12.4137 TIMING: 3642600 CPU: 10837.8, 0.00297175/step Wall: 10837.8, 0.00297175/step, 1.12052 hours remaining, 207.820312 MB of memory in use. ENERGY: 3642600 708.9950 2126.9280 1960.4992 127.5871 -206384.2384 17740.7410 0.0000 0.0000 34308.5409 -149410.9471 299.6250 -183719.4880 -149308.8595 298.8680 -84.8647 -53.4545 556676.3233 14.9636 15.0290 PRESSURE: 3642800 -81.9117 49.5383 74.1864 49.539 122.542 43.3586 74.1869 43.3565 106.202 GPRESSURE: 3642800 -44.113 -33.8105 39.6404 25.9268 178.008 88.6199 91.7929 41.7661 99.5434 PRESSAVG: 3642800 45.2421 -11.9709 -9.67309 -11.9708 32.705 67.5959 -9.673 67.5959 -49.3026 GPRESSAVG: 3642800 45.2634 -10.3832 -9.08956 -14.0661 31.5369 66.4559 -9.51368 68.7319 -48.9153 TIMING: 3642800 CPU: 10838.4, 0.00294167/step Wall: 10838.4, 0.00294167/step, 1.10901 hours remaining, 207.820312 MB of memory in use. ENERGY: 3642800 756.9308 2066.2385 1958.0355 106.7946 -206284.9781 17879.5253 0.0000 0.0000 34239.4875 -149277.9660 299.0220 -183517.4535 -149178.8592 298.9971 48.9442 77.8127 557188.4335 9.5481 9.2950 PRESSURE: 3643000 -174.745 35.0436 95.0012 35.0429 -103.9 -76.0064 95.0017 -76.0056 -38.1777 GPRESSURE: 3643000 -159.607 76.307 147.784 71.0135 -24.4225 -21.5361 32.545 -152.57 -35.0581 PRESSAVG: 3643000 14.4619 0.472388 3.9492 0.472421 86.9024 -21.5449 3.94912 -21.5448 -29.2715 GPRESSAVG: 3643000 15.0855 -1.88573 3.87638 2.91245 88.1272 -19.5664 4.69443 -24.3463 -31.5154 TIMING: 3643000 CPU: 10839, 0.00295026/step Wall: 10839, 0.00295026/step, 1.11209 hours remaining, 207.820312 MB of memory in use. ENERGY: 3643000 737.3341 2160.8379 1940.3500 121.0138 -206327.1432 17763.8421 0.0000 0.0000 34164.8450 -149438.9203 298.3701 -183603.7653 -149346.1890 298.5528 -105.6078 -73.0292 558521.3453 24.0309 23.8991 PRESSURE: 3643200 371.98 176.63 170.414 176.628 344.964 195.743 170.414 195.744 58.3882 GPRESSURE: 3643200 387.113 104.354 194.637 196.248 377.081 181.388 146.128 193.96 114.164 PRESSAVG: 3643200 -3.98733 30.7921 5.44899 30.7922 21.4793 20.2819 5.44895 20.282 1.89022 GPRESSAVG: 3643200 -4.54996 32.5474 4.55235 28.7642 21.4733 17.2029 4.48389 22.4952 2.85705 TIMING: 3643200 CPU: 10839.6, 0.00294126/step Wall: 10839.6, 0.00294126/step, 1.10853 hours remaining, 207.820312 MB of memory in use. ENERGY: 3643200 723.9454 2161.1754 1953.2622 115.7532 -206648.1613 18051.2571 0.0000 0.0000 33977.0388 -149665.7293 296.7299 -183642.7681 -149566.8113 298.6389 258.4441 292.7856 556435.9745 6.4607 6.5935 PRESSURE: 3643400 -117.35 144.7 -103.953 144.701 -45.9564 -62.9112 -103.951 -62.9107 -30.862 GPRESSURE: 3643400 -44.4355 114.493 -101.264 204.719 -38.5705 -73.4586 -122.434 -124.536 -7.33408 PRESSAVG: 3643400 44.1793 56.7437 14.4897 56.7436 -66.9831 17.6186 14.4896 17.6186 28.524 GPRESSAVG: 3643400 43.447 55.0228 15.9026 57.4422 -66.1705 20.402 13.0498 16.2126 28.6766 TIMING: 3643400 CPU: 10840.2, 0.00296586/step Wall: 10840.2, 0.00296586/step, 1.11763 hours remaining, 207.820312 MB of memory in use. ENERGY: 3643400 777.9109 2155.1757 1912.2156 122.2076 -206353.9135 17640.7587 0.0000 0.0000 34143.9565 -149601.6885 298.1877 -183745.6450 -149510.3625 298.6386 -64.7229 -30.1134 555853.2010 1.9067 1.9844 PRESSURE: 3643600 97.5643 106.085 33.2169 106.085 -35.7819 -28.4118 33.2178 -28.4117 -28.2964 GPRESSURE: 3643600 133.72 120.555 32.6302 62.0678 11.6798 -146.584 -0.308441 57.9442 -21.8209 PRESSAVG: 3643600 84.1069 60.3139 14.8518 60.314 -89.3332 7.10333 14.8518 7.10327 -25.5323 GPRESSAVG: 3643600 84.6479 60.9479 12.7675 61.149 -91.177 7.10647 15.0226 7.17626 -23.3258 TIMING: 3643600 CPU: 10840.8, 0.00296314/step Wall: 10840.8, 0.00296314/step, 1.11644 hours remaining, 207.820312 MB of memory in use. ENERGY: 3643600 786.2859 2143.6382 1933.5275 114.1755 -206968.7630 17915.0299 0.0000 0.0000 34410.0543 -149666.0517 300.5116 -184076.1060 -149562.7152 297.9537 11.1620 41.1931 556465.4241 -10.2529 -9.9517 PRESSURE: 3643800 382.222 -0.462082 -13.3015 -0.461949 -81.2086 -52.5849 -13.3019 -52.5847 80.5174 GPRESSURE: 3643800 402.916 -52.9395 -13.6055 33.5065 -23.7326 -64.4139 20.0027 -80.9102 110.774 PRESSAVG: 3643800 48.0282 76.1713 16.4394 76.1714 -54.3778 -2.08455 16.4394 -2.0845 -4.3282 GPRESSAVG: 3643800 49.1662 78.0974 17.6337 73.7722 -53.5079 -1.5456 16.8259 -3.25012 -6.162 TIMING: 3643800 CPU: 10841.4, 0.00296122/step Wall: 10841.4, 0.00296123/step, 1.11556 hours remaining, 207.820312 MB of memory in use. ENERGY: 3643800 752.1511 2115.2386 1953.7731 122.6539 -206792.3746 18114.2010 0.0000 0.0000 34163.9863 -149570.3706 298.3626 -183734.3569 -149472.5417 298.2779 127.1768 163.3192 557149.8045 -3.5593 -3.5012 PRESSURE: 3644000 341.1 -6.45889 124.385 -6.45872 -140.174 -33.0553 124.385 -33.0554 170.665 GPRESSURE: 3644000 356.536 -26.3566 92.3646 -57.4589 -45.2713 -3.25555 169.918 -72.0775 150.812 PRESSAVG: 3644000 70.6563 32.4753 -0.163664 32.4754 -58.0899 -23.4405 -0.163626 -23.4405 52.7728 GPRESSAVG: 3644000 69.1964 30.805 -0.719091 33.8486 -57.4883 -25.7249 1.26369 -21.872 53.1584 TIMING: 3644000 CPU: 10842, 0.00297294/step Wall: 10842, 0.00297294/step, 1.11981 hours remaining, 207.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3644000 722.1310 2137.9320 1963.4875 114.4444 -206419.4647 17885.8726 0.0000 0.0000 33943.3479 -149652.2492 296.4357 -183595.5971 -149553.4933 298.6753 123.8637 154.0258 556269.0827 21.7797 21.6222 PRESSURE: 3644200 -446.662 4.05142 -19.8147 4.05184 71.6716 -61.9132 -19.8142 -61.9147 24.3142 GPRESSURE: 3644200 -395.746 -1.27964 9.88306 -36.5125 199.158 -153.284 -12.1027 31.9489 -51.6795 PRESSAVG: 3644200 36.8885 19.5719 -15.6843 19.572 -24.792 37.9065 -15.6844 37.9065 -27.559 GPRESSAVG: 3644200 38.6852 19.5714 -13.8066 18.3674 -26.2537 39.3152 -17.5702 39.4048 -27.464 TIMING: 3644200 CPU: 10842.6, 0.0029659/step Wall: 10842.6, 0.0029659/step, 1.11699 hours remaining, 207.820312 MB of memory in use. ENERGY: 3644200 748.2997 2069.1021 1976.4005 109.4666 -206403.2386 17880.2259 0.0000 0.0000 34021.0772 -149598.6666 297.1145 -183619.7438 -149498.0311 298.0080 -116.8920 -82.7558 557865.2891 -5.1542 -5.0108 LDB: ============= START OF LOAD BALANCING ============== 10846.1 LDB: ============== END OF LOAD BALANCING =============== 10846.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10846.1 LDB: ============= START OF LOAD BALANCING ============== 10846.4 LDB: Largest compute 4796 load 0.025547 is 21.6% of average load 0.118175 LDB: Average compute 0.001739 is 1.5% of average load 0.118175 LDB: TIME 10846.4 LOAD: AVG 0.118175 MAX 0.196928 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.34 MB LDB: TIME 10846.4 LOAD: AVG 0.118175 MAX 0.196928 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.34 MB LDB: TIME 10846.4 LOAD: AVG 0.118175 MAX 0.196928 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.34 MB LDB: ============== END OF LOAD BALANCING =============== 10846.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10846.4 PRESSURE: 3644400 107.245 22.745 -22.2902 22.745 26.093 71.8767 -22.29 71.8776 -70.3506 GPRESSURE: 3644400 105.718 74.8774 -55.6004 16.7695 80.1068 14.3497 9.58564 32.7429 -22.7293 PRESSAVG: 3644400 -2.61221 -13.611 -25.3282 -13.611 33.4064 -76.2919 -25.328 -76.2919 -41.4502 GPRESSAVG: 3644400 -3.69168 -13.8025 -27.2775 -11.9531 34.2264 -77.5913 -22.4114 -78.4309 -41.4087 TIMING: 3644400 CPU: 10843.2, 0.00302559/step Wall: 10843.2, 0.00302559/step, 1.1393 hours remaining, 206.464844 MB of memory in use. ENERGY: 3644400 754.5681 2126.5224 1922.6898 116.1521 -206246.6040 17741.1705 0.0000 0.0000 34326.4986 -149259.0025 299.7818 -183585.5011 -149160.7459 298.4259 20.9960 54.3651 556277.6866 -3.5520 -3.6247 PRESSURE: 3644600 -58.1446 -14.4305 179.364 -14.4302 -95.9836 32.8301 179.362 32.8287 -12.5022 GPRESSURE: 3644600 -82.1474 21.0945 241.785 -75.9278 -28.2963 43.9584 133.496 69.9208 43.2974 PRESSAVG: 3644600 14.9161 -5.15216 10.8616 -5.15224 24.3458 -11.7685 10.8616 -11.7685 -51.0806 GPRESSAVG: 3644600 14.682 -3.55097 11.1009 -6.31167 23.0243 -11.1837 10.3993 -10.0376 -49.918 TIMING: 3644600 CPU: 10843.8, 0.00294403/step Wall: 10843.8, 0.00294403/step, 1.10843 hours remaining, 206.464844 MB of memory in use. ENERGY: 3644600 744.8315 2107.5297 1956.4384 102.8467 -206135.4264 17704.2721 0.0000 0.0000 34105.5098 -149413.9983 297.8519 -183519.5080 -149314.4738 299.2019 -55.5434 -22.3821 557386.8781 -3.9396 -4.0705 PRESSURE: 3644800 -196.244 -119.334 -84.666 -119.333 -156.491 -66.5775 -84.6677 -66.576 -155.35 GPRESSURE: 3644800 -178.837 -119.666 -73.5643 -84.459 -108.388 -69.8548 -195.762 -89.1339 -119.554 PRESSAVG: 3644800 96.6646 27.3376 26.6693 27.3376 -38.1493 10.3349 26.6694 10.335 -1.84953 GPRESSAVG: 3644800 96.6446 28.4994 26.9587 27.4929 -37.4626 12.5059 25.279 9.85272 -2.13441 TIMING: 3644800 CPU: 10844.4, 0.00294536/step Wall: 10844.4, 0.00294536/step, 1.10876 hours remaining, 206.464844 MB of memory in use. ENERGY: 3644800 744.2969 2054.7020 1929.8710 115.3946 -206058.2156 17556.5049 0.0000 0.0000 34318.2663 -149339.1799 299.7100 -183657.4462 -149239.1091 298.8570 -169.3616 -135.5929 557693.4163 18.8886 19.0159 PRESSURE: 3645000 14.6058 28.9688 -29.1038 28.9679 -8.7129 161.876 -29.1047 161.876 -158.894 GPRESSURE: 3645000 68.837 54.5098 -49.0994 59.0524 32.0178 239.957 -35.8888 70.2429 -152.849 PRESSAVG: 3645000 118.64 -71.439 17.3569 -71.4391 -27.315 15.5511 17.357 15.5513 -86.4082 GPRESSAVG: 3645000 119.199 -75.2077 15.5027 -70.1247 -26.5599 12.2163 17.9059 17.3677 -87.2212 TIMING: 3645000 CPU: 10844.9, 0.00294922/step Wall: 10844.9, 0.00294922/step, 1.11005 hours remaining, 206.464844 MB of memory in use. ENERGY: 3645000 727.3247 2054.8324 1953.4186 104.7276 -206428.7444 17723.8526 0.0000 0.0000 34328.2452 -149536.3433 299.7971 -183864.5885 -149439.3000 298.5816 -51.0002 -17.3313 557757.3774 1.6389 1.8058 PRESSURE: 3645200 252.378 101.504 23.9856 101.504 93.2403 -281.735 23.986 -281.734 -68.259 GPRESSURE: 3645200 243.374 180.99 1.15114 115.03 149.33 -273.352 61.9768 -209.259 -17.5571 PRESSAVG: 3645200 35.8407 -15.2439 9.18055 -15.2439 8.41434 -36.5286 9.18052 -36.5288 -44.2823 GPRESSAVG: 3645200 35.4595 -13.7879 8.49781 -16.9608 8.35532 -34.5464 9.87874 -39.661 -43.0759 TIMING: 3645200 CPU: 10845.5, 0.00296657/step Wall: 10845.5, 0.00296657/step, 1.11642 hours remaining, 206.464844 MB of memory in use. ENERGY: 3645200 730.3467 2121.3472 1951.7603 126.4682 -206812.8388 18092.2946 0.0000 0.0000 34275.0244 -149515.5975 299.3323 -183790.6219 -149416.2370 298.5730 92.4532 125.0491 556619.5306 -0.0091 0.2463 PRESSURE: 3645400 -87.4131 21.0351 -33.2655 21.036 109.176 -128.608 -33.2657 -128.608 -144.935 GPRESSURE: 3645400 23.8435 -32.0584 -76.4194 -10.713 86.6167 -83.6828 -17.2743 -109.185 -133.072 PRESSAVG: 3645400 -33.8979 0.838115 -24.7751 0.838122 -33.7677 -19.4039 -24.775 -19.4039 52.1538 GPRESSAVG: 3645400 -32.5681 0.8165 -23.087 2.11086 -34.5272 -19.9549 -24.7331 -19.2208 51.9605 TIMING: 3645400 CPU: 10846.1, 0.00295631/step Wall: 10846.1, 0.00295631/step, 1.11239 hours remaining, 206.464844 MB of memory in use. ENERGY: 3645400 750.0048 2126.7250 1952.9958 111.0549 -206479.3487 17843.1805 0.0000 0.0000 34220.2882 -149475.0994 298.8543 -183695.3876 -149369.4042 298.8678 -41.0576 -7.5372 557975.9512 -5.1706 -5.0450 PRESSURE: 3645600 -240.581 16.6765 172.697 16.6772 -353.878 -131.826 172.698 -131.827 -268.61 GPRESSURE: 3645600 -187.39 33.0713 123.466 -6.89352 -329.268 -99.1797 248.344 -157.139 -245.668 PRESSAVG: 3645600 19.3202 -39.8871 25.9219 -39.887 18.005 -20.8498 25.922 -20.8497 -30.8307 GPRESSAVG: 3645600 18.4513 -39.1713 26.7741 -42.0572 18.5755 -19.1131 25.4492 -21.2514 -31.3605 TIMING: 3645600 CPU: 10846.7, 0.00293147/step Wall: 10846.7, 0.00293147/step, 1.10288 hours remaining, 206.464844 MB of memory in use. ENERGY: 3645600 799.5661 2133.2816 1941.9154 110.3791 -206039.4606 17545.1192 0.0000 0.0000 34123.5470 -149385.6522 298.0094 -183509.1992 -149287.8923 298.6090 -287.6897 -254.1086 557940.4335 2.1648 1.8888 PRESSURE: 3645800 42.6955 -45.4902 -60.4203 -45.4916 60.635 79.5684 -60.4193 79.5689 -7.38105 GPRESSURE: 3645800 97.9487 -42.2277 -61.7879 -45.5772 83.2041 -4.23877 -47.5561 46.286 10.8768 PRESSAVG: 3645800 18.6891 -79.2968 -19.5317 -79.2969 -18.7896 -7.89145 -19.5316 -7.8915 35.3848 GPRESSAVG: 3645800 17.5676 -79.9848 -18.6729 -78.3463 -18.544 -11.4073 -18.628 -5.92379 35.9796 TIMING: 3645800 CPU: 10847.3, 0.00293842/step Wall: 10847.3, 0.00293842/step, 1.10533 hours remaining, 206.464844 MB of memory in use. ENERGY: 3645800 741.0070 2105.8112 1930.6197 115.5613 -206365.2741 17805.4576 0.0000 0.0000 34301.6196 -149365.1977 299.5646 -183666.8173 -149275.0684 299.3649 31.9831 64.0099 557615.0263 11.7614 11.6677 PRESSURE: 3646000 -31.3978 32.6934 108.073 32.6942 125.098 70.2036 108.074 70.2036 -146.195 GPRESSURE: 3646000 -41.1617 24.1894 213.193 85.8678 215.198 99.008 47.6518 32.4644 -125.405 PRESSAVG: 3646000 9.62013 -6.54052 69.3103 -6.54056 6.976 19.6192 69.3104 19.6192 16.0632 GPRESSAVG: 3646000 12.1671 -6.38607 69.2548 -6.18162 5.82097 23.6026 66.9259 16.4759 14.5682 TIMING: 3646000 CPU: 10847.9, 0.00295572/step Wall: 10847.9, 0.00295572/step, 1.11168 hours remaining, 206.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3646000 732.4866 2088.7869 1957.3404 117.4956 -206222.1736 17791.8573 0.0000 0.0000 34203.3814 -149330.8254 298.7066 -183534.2067 -149228.6184 298.8298 -17.4981 16.2104 558219.0287 10.8864 10.8521 PRESSURE: 3646200 182.473 -55.7816 80.1885 -55.7817 -22.4838 8.58526 80.1875 8.58295 -151.29 GPRESSURE: 3646200 171.385 -69.851 32.2202 -106.791 -4.23084 -13.4021 10.2325 30.8827 -71.7117 PRESSAVG: 3646200 -23.7763 12.1663 51.7666 12.1664 5.72305 35.6887 51.7668 35.6888 18.3147 GPRESSAVG: 3646200 -24.732 11.5932 51.2994 13.2887 6.67251 32.6764 53.1559 40.8604 18.5777 TIMING: 3646200 CPU: 10848.5, 0.00294863/step Wall: 10848.5, 0.00294863/step, 1.10885 hours remaining, 206.464844 MB of memory in use. ENERGY: 3646200 755.0055 2096.2342 1955.6737 116.8238 -206449.8181 17955.4112 0.0000 0.0000 34343.3137 -149227.3559 299.9287 -183570.6696 -149136.2948 299.0251 2.8997 31.8141 559346.5880 0.0872 0.1727 PRESSURE: 3646400 -134.735 -29.0083 -14.0962 -29.0096 -43.1409 -100.148 -14.095 -100.148 2.34588 GPRESSURE: 3646400 -131.31 -58.03 -45.1917 -63.2351 1.51201 -36.4684 37.1035 -85.6476 57.2803 PRESSAVG: 3646400 -70.9001 42.8313 -30.6228 42.8313 31.1201 -9.84487 -30.6228 -9.84492 56.3028 GPRESSAVG: 3646400 -70.6806 43.6174 -29.8739 41.7606 29.6528 -8.33118 -30.603 -11.5883 57.6645 TIMING: 3646400 CPU: 10849.1, 0.0029382/step Wall: 10849.1, 0.0029382/step, 1.10477 hours remaining, 206.464844 MB of memory in use. ENERGY: 3646400 781.6281 2064.5716 1961.0985 117.7931 -206096.6742 17675.1296 0.0000 0.0000 34338.2408 -149158.2125 299.8844 -183496.4533 -149055.2980 299.5720 -58.5100 -24.1724 557960.4442 5.5076 5.5456 PRESSURE: 3646600 120.158 10.3946 1.20039 10.3955 -22.4629 98.2431 1.20016 98.2429 52.4342 GPRESSURE: 3646600 149.989 -24.6334 45.6741 40.9449 -19.4204 76.531 -5.41904 94.739 114.58 PRESSAVG: 3646600 -26.409 11.4271 -10.4454 11.427 32.9383 -5.23582 -10.4453 -5.2359 18.8626 GPRESSAVG: 3646600 -26.7359 10.6417 -11.5394 10.4608 34.7727 -7.39258 -11.1019 -4.45179 17.6088 TIMING: 3646600 CPU: 10849.7, 0.00296212/step Wall: 10849.7, 0.00296212/step, 1.11359 hours remaining, 206.464844 MB of memory in use. ENERGY: 3646600 728.0417 2155.3823 1936.5276 111.4435 -206217.2427 17862.0681 0.0000 0.0000 34342.7776 -149081.0019 299.9240 -183423.7796 -148978.3869 299.4181 50.0432 81.7163 559565.2268 8.4640 8.5485 PRESSURE: 3646800 70.0675 82.6094 -102.785 82.61 -260.366 7.92429 -102.786 7.92587 -19.5459 GPRESSURE: 3646800 45.8205 108.464 -11.6168 17.1846 -180.973 -26.2739 -112.625 -18.6383 11.5841 PRESSAVG: 3646800 -8.90883 -12.3359 11.2278 -12.3359 62.0929 55.1228 11.2278 55.1229 -46.6371 GPRESSAVG: 3646800 -8.99109 -13.0636 9.69982 -12.0142 62.3993 54.361 13.5701 56.4837 -46.8519 TIMING: 3646800 CPU: 10850.3, 0.00298148/step Wall: 10850.3, 0.00298148/step, 1.12071 hours remaining, 206.464844 MB of memory in use. ENERGY: 3646800 767.4424 2089.8780 1968.0104 118.1676 -205639.2054 17594.3788 0.0000 0.0000 34192.2874 -148909.0408 298.6098 -183101.3282 -148810.8166 299.6181 -69.9482 -41.1895 559678.9805 2.1823 2.1854 PRESSURE: 3647000 -73.2997 -171.005 -52.6787 -171.004 27.2597 -57.6277 -52.6782 -57.628 -278.242 GPRESSURE: 3647000 21.6242 -140.165 -44.0206 -196.036 -6.59206 15.0482 -114.563 -50.098 -229.226 PRESSAVG: 3647000 -60.306 -60.566 -36.3441 -60.566 5.92097 -14.3273 -36.3441 -14.3273 -4.28691 GPRESSAVG: 3647000 -60.796 -59.6709 -33.9051 -60.2931 5.80843 -12.9069 -35.8181 -16.4141 -3.17947 TIMING: 3647000 CPU: 10850.9, 0.00298144/step Wall: 10850.9, 0.00298144/step, 1.12053 hours remaining, 206.464844 MB of memory in use. ENERGY: 3647000 734.8739 2170.0562 1941.6781 116.4529 -206050.8872 17723.9552 0.0000 0.0000 34289.3371 -149074.5339 299.4573 -183363.8709 -148973.5396 299.0672 -108.0940 -71.3979 559124.4626 -19.5573 -19.3890 PRESSURE: 3647200 -18.59 -97.2427 -1.32652 -97.243 44.0566 275.813 -1.32733 275.814 -59.9752 GPRESSURE: 3647200 -45.1085 -43.5074 29.1814 -178.187 94.3986 354.239 -23.6939 213.192 12.6813 PRESSAVG: 3647200 13.5641 -33.2807 -74.6031 -33.2807 -54.4852 -6.1346 -74.6031 -6.1346 30.9628 GPRESSAVG: 3647200 15.0417 -31.3569 -74.512 -33.4056 -55.2802 -7.20877 -76.6098 -5.18795 30.2127 TIMING: 3647200 CPU: 10851.5, 0.00296291/step Wall: 10851.5, 0.00296291/step, 1.1134 hours remaining, 206.464844 MB of memory in use. ENERGY: 3647200 772.7243 2101.1058 1938.4898 101.2208 -205977.3365 17859.7693 0.0000 0.0000 34196.9487 -149007.0778 298.6505 -183204.0266 -148911.0308 299.6890 -11.5029 20.6571 559472.1151 -3.3194 -3.3419 PRESSURE: 3647400 265.625 -143.012 -92.8982 -143.013 1.68686 -29.4649 -92.8976 -29.465 97.4739 GPRESSURE: 3647400 257.523 -185.907 -102.787 -123.831 83.862 -0.221569 -36.8216 -85.9231 115.428 PRESSAVG: 3647400 17.6793 -9.53179 -45.1203 -9.53183 -8.51496 4.21055 -45.1202 4.21036 1.43619 GPRESSAVG: 3647400 16.3719 -7.76794 -44.7467 -10.8801 -6.68047 6.10737 -44.6051 2.18645 1.1213 TIMING: 3647400 CPU: 10852, 0.00294283/step Wall: 10852, 0.00294283/step, 1.10568 hours remaining, 206.464844 MB of memory in use. ENERGY: 3647400 768.2359 2142.6717 1931.3804 132.6871 -205949.1952 17843.2451 0.0000 0.0000 34396.8923 -148734.0826 300.3966 -183130.9749 -148634.9524 299.9161 121.5952 152.2709 558228.4600 3.5335 3.6042 PRESSURE: 3647600 -246.372 33.9283 113.754 33.9283 -213.748 34.4694 113.753 34.4695 -358.983 GPRESSURE: 3647600 -193.306 24.4878 171.792 94.3892 -218.698 0.919853 43.4911 45.1685 -331.206 PRESSAVG: 3647600 86.7356 22.6486 32.0651 22.6487 -29.4884 20.904 32.065 20.9038 -47.6729 GPRESSAVG: 3647600 87.9875 20.4923 31.0965 24.2301 -31.1307 19.3685 30.1908 23.8854 -47.7818 TIMING: 3647600 CPU: 10852.6, 0.00295108/step Wall: 10852.6, 0.00295108/step, 1.10862 hours remaining, 206.464844 MB of memory in use. ENERGY: 3647600 788.7593 2124.3280 1947.2955 112.7261 -205851.5959 17555.2730 0.0000 0.0000 34406.0154 -148917.1985 300.4763 -183323.2139 -148819.4773 300.5079 -273.0343 -247.7368 559434.8305 3.1914 3.0250 PRESSURE: 3647800 -19.211 -129.286 -214.931 -129.286 17.1035 -78.0733 -214.932 -78.0734 -137.239 GPRESSURE: 3647800 93.4607 -192.323 -153.916 -135.868 -8.37522 -92.8373 -157.795 -89.8321 -127.524 PRESSAVG: 3647800 37.0135 -20.5989 -0.856886 -20.5989 1.07104 -12.249 -0.856854 -12.2491 -58.9462 GPRESSAVG: 3647800 36.5526 -20.3882 -0.205536 -18.5293 1.68232 -10.1662 1.77233 -15.013 -58.8732 TIMING: 3647800 CPU: 10853.2, 0.00296928/step Wall: 10853.2, 0.00296928/step, 1.1153 hours remaining, 206.464844 MB of memory in use. ENERGY: 3647800 761.5040 2129.0934 1949.4972 118.6093 -206021.8594 17763.2995 0.0000 0.0000 34307.5912 -148992.2648 299.6167 -183299.8561 -148902.5108 300.0897 -46.4490 -14.1462 559186.7298 -6.9539 -6.8794 PRESSURE: 3648000 -266.639 85.3326 -114.492 85.3329 167.984 -213.668 -114.492 -213.667 -48.2732 GPRESSURE: 3648000 -283.721 156.134 -127.845 42.4253 251.873 -178.412 -126.127 -194.459 -14.4417 PRESSAVG: 3648000 5.96977 1.83862 -46.0235 1.83864 2.02935 -2.01279 -46.0235 -2.01286 -14.1366 GPRESSAVG: 3648000 6.47926 4.31003 -46.5533 -0.362914 0.042913 -4.40579 -46.3014 -3.84962 -13.0984 TIMING: 3648000 CPU: 10853.8, 0.00295437/step Wall: 10853.8, 0.00295437/step, 1.10953 hours remaining, 206.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3648000 760.9236 2070.2319 1967.7662 104.0591 -206304.9929 17760.4655 0.0000 0.0000 34554.1854 -149087.3612 301.7703 -183641.5466 -148991.0834 299.6422 -48.9760 -15.4297 558021.8294 -2.0458 -2.1921 PRESSURE: 3648200 -179.897 -4.13745 34.2156 -4.13758 -302.375 154.355 34.2157 154.354 -4.62891 GPRESSURE: 3648200 -75.3073 1.94095 -13.8387 -30.9184 -289.322 75.2216 90.4624 221.8 -32.0732 PRESSAVG: 3648200 -25.9566 -4.11478 -23.3391 -4.1147 -49.9642 -4.68661 -23.3391 -4.68669 20.5614 GPRESSAVG: 3648200 -25.6432 -3.52486 -23.4967 -5.25681 -49.2199 -4.30137 -24.2714 -2.35432 19.4149 TIMING: 3648200 CPU: 10854.4, 0.0029634/step Wall: 10854.4, 0.0029634/step, 1.11276 hours remaining, 206.464844 MB of memory in use. ENERGY: 3648200 742.3627 2091.2716 1929.5544 116.8521 -205501.8749 17304.7308 0.0000 0.0000 34170.5508 -149146.5525 298.4199 -183317.1032 -149049.7485 299.5811 -162.3003 -132.2340 558807.1276 -18.4532 -18.4827 LDB: ============= START OF LOAD BALANCING ============== 10858 LDB: ============== END OF LOAD BALANCING =============== 10858 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10858 LDB: ============= START OF LOAD BALANCING ============== 10858.2 LDB: Largest compute 4796 load 0.025925 is 21.9% of average load 0.118149 LDB: Average compute 0.001748 is 1.5% of average load 0.118149 LDB: TIME 10858.3 LOAD: AVG 0.118149 MAX 0.19634 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.113 MB LDB: TIME 10858.3 LOAD: AVG 0.118149 MAX 0.19634 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.117 MB LDB: TIME 10858.3 LOAD: AVG 0.118149 MAX 0.19634 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.117 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10858.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10858.3 PRESSURE: 3648400 243.373 -32.7906 -88.7613 -32.7905 -125.185 -130.603 -88.7614 -130.604 74.6678 GPRESSURE: 3648400 268.255 23.6856 -176.972 -115.546 -87.3307 -134.779 39.1225 -138.652 106.95 PRESSAVG: 3648400 19.7132 29.8982 -0.968243 29.8983 -31.5445 -59.9205 -0.968269 -59.9204 20.2487 GPRESSAVG: 3648400 19.8413 28.2581 -1.70709 30.2287 -32.0106 -59.8272 -0.825225 -60.7608 20.6296 TIMING: 3648400 CPU: 10855, 0.00300234/step Wall: 10855, 0.00300234/step, 1.12721 hours remaining, 207.054688 MB of memory in use. ENERGY: 3648400 728.5931 2091.8598 1939.9816 112.8886 -206179.1488 17972.2406 0.0000 0.0000 34170.8321 -149162.7530 298.4224 -183333.5852 -149066.8405 299.0950 64.2854 95.9582 557632.0622 2.8058 2.8201 PRESSURE: 3648600 119.298 -39.4992 -96.7201 -39.4986 -42.8335 -206.371 -96.72 -206.368 -302.294 GPRESSURE: 3648600 130.302 -59.7554 -119.118 -48.0846 -52.227 -272.34 -21.9856 -170.353 -209.5 PRESSAVG: 3648600 27.0665 8.24983 8.41334 8.24978 10.6209 -53.8753 8.41336 -53.8753 -28.3716 GPRESSAVG: 3648600 26.6511 9.72175 9.11241 8.2811 10.693 -54.9467 6.62064 -53.1707 -28.0423 TIMING: 3648600 CPU: 10855.6, 0.00297104/step Wall: 10855.6, 0.00297104/step, 1.1153 hours remaining, 207.253906 MB of memory in use. ENERGY: 3648600 722.4340 2079.4296 1946.6932 104.2979 -206345.0473 17907.1111 0.0000 0.0000 34405.9825 -149179.0991 300.4760 -183585.0816 -149075.3312 298.6837 -75.2767 -43.8083 559441.8416 3.1053 3.1006 PRESSURE: 3648800 -215.009 -94.3245 -154.148 -94.3245 -44.7968 39.9533 -154.148 39.9543 -241.762 GPRESSURE: 3648800 -191.546 -36.8623 -185.144 -159.901 9.53555 71.0002 -63.0015 34.574 -227.928 PRESSAVG: 3648800 -8.04979 38.0535 -28.6699 38.0536 10.143 -54.4218 -28.6699 -54.4218 -19.4444 GPRESSAVG: 3648800 -6.99632 37.4743 -27.5669 39.2927 9.65009 -51.5193 -27.4948 -54.7749 -19.8858 TIMING: 3648800 CPU: 10856.2, 0.0029469/step Wall: 10856.2, 0.0029469/step, 1.10607 hours remaining, 207.253906 MB of memory in use. ENERGY: 3648800 732.2604 2031.4060 1931.3560 128.3816 -205904.8018 17714.9715 0.0000 0.0000 34197.9593 -149168.4670 298.6593 -183366.4264 -149070.9985 298.9622 -167.1890 -136.6464 559238.3476 -5.7837 -5.7440 PRESSURE: 3649000 -78.9998 58.7267 2.05366 58.7263 94.4971 -91.0787 2.05374 -91.0785 80.5958 GPRESSURE: 3649000 -8.76356 118.945 -26.0839 40.8865 72.7011 -30.2322 -12.9597 -64.4521 136.167 PRESSAVG: 3649000 -25.0841 60.5348 37.6351 60.5348 7.15743 -47.3701 37.635 -47.3702 22.9656 GPRESSAVG: 3649000 -25.4739 57.8396 36.6639 62.1774 7.45263 -47.6666 37.3524 -49.1225 22.6966 TIMING: 3649000 CPU: 10856.8, 0.00293182/step Wall: 10856.8, 0.00293182/step, 1.10025 hours remaining, 207.253906 MB of memory in use. ENERGY: 3649000 704.8742 2048.1632 1920.7528 110.8257 -205982.5882 17741.3170 0.0000 0.0000 34463.8559 -148992.7993 300.9814 -183456.6552 -148893.3322 299.6580 32.0310 66.7015 557634.2985 1.6797 1.5584 PRESSURE: 3649200 18.4253 -115.289 80.9515 -115.29 59.3441 -97.4203 80.9512 -97.4194 149.043 GPRESSURE: 3649200 44.7431 -117.347 110.066 -111.818 76.7944 -84.2605 47.9908 -113.495 183.883 PRESSAVG: 3649200 -17.1277 13.4576 -6.60326 13.4576 -19.3646 17.6304 -6.60323 17.6303 1.26653 GPRESSAVG: 3649200 -16.9132 16.9659 -6.13136 10.7676 -18.8588 17.7926 -7.94345 17.5649 0.911409 TIMING: 3649200 CPU: 10857.4, 0.00293552/step Wall: 10857.4, 0.00293551/step, 1.10147 hours remaining, 207.253906 MB of memory in use. ENERGY: 3649200 750.2319 2106.0459 1939.2857 123.5661 -206207.1139 17961.4462 0.0000 0.0000 34392.0318 -148934.5062 300.3542 -183326.5380 -148846.1085 299.0176 75.6040 101.8067 556567.4899 -11.7419 -11.6202 PRESSURE: 3649400 267.228 99.4116 37.2988 99.411 175.576 -113.984 37.2971 -113.984 19.1507 GPRESSURE: 3649400 275.207 178.339 -23.8808 90.0012 169.186 -120.75 54.7435 -73.8033 120.292 PRESSAVG: 3649400 22.6491 -26.3452 12.8915 -26.3452 -47.896 -28.6055 12.8915 -28.6055 33.7607 GPRESSAVG: 3649400 22.242 -29.2267 12.1112 -26.0386 -48.8473 -29.8555 13.3907 -24.7948 35.5836 TIMING: 3649400 CPU: 10858, 0.00296335/step Wall: 10858, 0.00296335/step, 1.11175 hours remaining, 207.253906 MB of memory in use. ENERGY: 3649400 716.6151 2070.6246 1913.3629 119.9063 -206194.8478 17972.8504 0.0000 0.0000 34168.7153 -149232.7733 298.4039 -183401.4886 -149131.9552 298.9762 153.9848 188.2283 556816.2417 2.8379 2.9927 PRESSURE: 3649600 119.608 87.0766 -66.0319 87.077 -111.631 29.0838 -66.0316 29.0844 -42.674 GPRESSURE: 3649600 110.292 55.1633 -192.816 118.299 -24.2403 98.5747 -51.5788 111.206 -38.3964 PRESSAVG: 3649600 14.1771 29.8737 29.3446 29.8737 29.5797 45.9875 29.3445 45.9874 -41.0075 GPRESSAVG: 3649600 12.8929 32.0171 30.089 30.3316 31.2373 45.7818 31.7777 44.0664 -41.7927 TIMING: 3649600 CPU: 10858.6, 0.00297986/step Wall: 10858.6, 0.00297986/step, 1.11778 hours remaining, 207.253906 MB of memory in use. ENERGY: 3649600 751.1452 2061.1422 1915.4331 121.2969 -206234.7026 17827.0421 0.0000 0.0000 34234.4215 -149324.2216 298.9777 -183558.6431 -149228.2356 298.8859 -11.5658 15.8851 558290.2427 0.9164 0.7792 PRESSURE: 3649800 92.8859 -106.373 -30.7539 -106.374 -39.807 -33.9257 -30.754 -33.9253 90.0149 GPRESSURE: 3649800 86.0308 -60.2007 -14.9746 -3.92389 0.979725 -59.6601 -18.0866 -57.5747 150.046 PRESSAVG: 3649800 -40.1796 31.4017 2.70427 31.4016 43.1467 21.3021 2.70425 21.3022 6.74276 GPRESSAVG: 3649800 -40.907 29.5906 1.13898 33.7 43.7073 23.694 2.35204 20.1276 6.71795 TIMING: 3649800 CPU: 10859.2, 0.00300242/step Wall: 10859.2, 0.00300242/step, 1.12607 hours remaining, 207.253906 MB of memory in use. ENERGY: 3649800 711.5785 2092.4145 1938.9344 119.3857 -206297.1877 17932.4642 0.0000 0.0000 34175.9871 -149326.4234 298.4674 -183502.4105 -149229.3807 298.8612 47.6979 79.0190 558001.0652 3.2366 3.1728 PRESSURE: 3650000 -116.611 -50.2666 -61.8335 -50.2654 -188.953 -40.2806 -61.8347 -40.2802 6.65816 GPRESSURE: 3650000 -30.8999 22.614 -73.0763 -87.1689 -218.894 -66.6536 -81.2714 -14.0774 48.5626 PRESSAVG: 3650000 18.2368 13.1891 -25.7072 13.1891 1.64786 1.55621 -25.7072 1.5563 16.9414 GPRESSAVG: 3650000 19.6305 16.2526 -24.3989 9.8072 -0.455742 -1.27476 -27.3581 2.21986 18.0152 TIMING: 3650000 CPU: 10859.8, 0.00298826/step Wall: 10859.8, 0.00298826/step, 1.1206 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3650000 765.9930 2074.6199 1925.1673 107.2588 -206069.3941 17745.9130 0.0000 0.0000 34041.7527 -149408.6895 297.2951 -183450.4422 -149317.5847 298.5971 -99.6352 -67.0771 558419.0049 12.2753 12.3966 PRESSURE: 3650200 154.149 144.924 92.5031 144.924 90.5807 -9.07643 92.5029 -9.07688 38.7367 GPRESSURE: 3650200 174.304 89.8881 70.0474 92.2222 121.14 90.1993 64.8534 -50.0416 82.7909 PRESSAVG: 3650200 59.386 27.263 -15.243 27.2629 -8.10314 43.9981 -15.2431 43.9981 -79.9948 GPRESSAVG: 3650200 58.1103 26.3869 -15.8733 27.5977 -6.8827 43.4354 -14.7424 44.3659 -80.0833 TIMING: 3650200 CPU: 10860.3, 0.00297133/step Wall: 10860.3, 0.00297133/step, 1.11408 hours remaining, 207.253906 MB of memory in use. ENERGY: 3650200 727.4489 2086.6061 1926.1800 109.3621 -206340.3418 17881.6356 0.0000 0.0000 34341.9410 -149267.1679 299.9167 -183609.1089 -149168.2332 299.0540 94.4886 126.0785 558231.8183 -9.5706 -9.6186 PRESSURE: 3650400 31.0374 -43.3232 19.0743 -43.3233 314.428 34.5066 19.0757 34.5078 -20.1165 GPRESSURE: 3650400 148.185 -12.1265 12.2794 -46.2649 275.226 135.152 10.431 -51.3698 -3.84627 PRESSAVG: 3650400 57.77 50.6156 5.79785 50.6155 -79.8921 4.874 5.79797 4.87392 -26.5196 GPRESSAVG: 3650400 59.1143 48.2814 4.39928 52.1422 -80.4875 7.13135 6.84489 3.21621 -26.9772 TIMING: 3650400 CPU: 10860.9, 0.00297306/step Wall: 10860.9, 0.00297306/step, 1.11457 hours remaining, 207.253906 MB of memory in use. ENERGY: 3650400 712.5817 2028.5596 1952.2368 106.6525 -206320.3282 17922.1775 0.0000 0.0000 34038.8222 -149559.2979 297.2695 -183598.1201 -149468.3805 298.8656 108.4497 139.8547 557238.3669 -16.2139 -16.1168 PRESSURE: 3650600 -27.4003 -48.7124 44.6286 -48.712 -291.851 -85.8936 44.6291 -85.8953 -28.039 GPRESSURE: 3650600 72.6137 -21.7107 95.1763 -67.3406 -251.78 -89.5148 92.5607 -55.4879 -68.1834 PRESSAVG: 3650600 0.660912 56.2554 40.2859 56.2555 70.0107 -31.2196 40.2859 -31.2197 -56.9079 GPRESSAVG: 3650600 1.70852 58.8196 42.6395 55.8669 70.0437 -31.9538 40.4338 -30.7753 -58.1617 TIMING: 3650600 CPU: 10861.5, 0.00294149/step Wall: 10861.5, 0.00294149/step, 1.10257 hours remaining, 207.253906 MB of memory in use. ENERGY: 3650600 706.6507 2060.2280 1988.0625 123.4954 -206217.2651 17669.9867 0.0000 0.0000 34160.8481 -149507.9936 298.3352 -183668.8418 -149414.6313 298.4871 -115.7635 -82.4499 557219.3445 4.5879 4.5302 PRESSURE: 3650800 1.0162 32.6913 61.8405 32.6924 258.503 -125.04 61.8403 -125.041 78.4071 GPRESSURE: 3650800 44.6041 -44.8221 31.7684 10.941 275.564 -120.555 154.259 -174.89 114.656 PRESSAVG: 3650800 -8.98231 44.2474 -37.1871 44.2472 21.0747 -19.3456 -37.1872 -19.3457 -16.2009 GPRESSAVG: 3650800 -10.1814 42.7263 -37.9639 43.9836 21.4116 -18.2943 -38.2346 -19.6843 -15.018 TIMING: 3650800 CPU: 10862.1, 0.00293362/step Wall: 10862.1, 0.00293362/step, 1.09946 hours remaining, 207.253906 MB of memory in use. ENERGY: 3650800 746.8039 2129.2300 1972.9350 109.4122 -206289.4370 17792.9328 0.0000 0.0000 34031.9100 -149506.2133 297.2091 -183538.1233 -149416.0339 298.2996 112.6422 144.9414 555576.8313 -1.3695 -1.2626 PRESSURE: 3651000 -12.7721 61.7915 -63.9408 61.7919 -25.5143 -12.9569 -63.9407 -12.9558 24.5688 GPRESSURE: 3651000 39.7994 35.5827 -0.989573 69.8542 1.27507 -15.7396 -63.7379 -67.0875 49.4682 PRESSAVG: 3651000 56.8137 22.9589 -24.929 22.9588 -36.602 36.6608 -24.929 36.6608 -1.37933 GPRESSAVG: 3651000 56.3859 22.4648 -25.7917 22.8504 -35.8233 35.591 -24.6612 37.6789 -1.72048 TIMING: 3651000 CPU: 10862.7, 0.00291153/step Wall: 10862.7, 0.00291153/step, 1.09101 hours remaining, 207.253906 MB of memory in use. ENERGY: 3651000 759.4561 2035.5478 1921.4829 102.7282 -206405.8547 17791.5490 0.0000 0.0000 34404.8825 -149390.2082 300.4664 -183795.0907 -149290.9319 298.6814 -4.5725 30.1809 555988.3804 6.2775 6.2807 PRESSURE: 3651200 52.195 21.1197 -142.212 21.1183 175.69 45.7856 -142.211 45.7852 -66.1392 GPRESSURE: 3651200 139.208 -46.7737 -17.0401 76.8349 146.634 28.4337 -104.851 27.2987 -30.6226 PRESSAVG: 3651200 -34.6873 20.1425 25.1902 20.1425 -15.3896 71.0496 25.1901 71.0495 9.26746 GPRESSAVG: 3651200 -34.266 21.1222 26.165 20.01 -15.4981 70.8772 25.0709 70.1196 9.14349 TIMING: 3651200 CPU: 10863.3, 0.00292333/step Wall: 10863.3, 0.00292333/step, 1.09527 hours remaining, 207.253906 MB of memory in use. ENERGY: 3651200 738.9573 2077.7251 1961.3046 117.1133 -206470.8153 17809.3147 0.0000 0.0000 34331.1360 -149435.2644 299.8223 -183766.4003 -149338.0894 298.8199 53.9152 85.0732 555583.1898 -13.6031 -13.5402 PRESSURE: 3651400 -439.003 -89.912 0.690236 -89.9102 -228.987 84.7051 0.690386 84.7052 37.9713 GPRESSURE: 3651400 -393.713 -105.59 -16.6069 -105.544 -163.066 19.1665 99.4649 120.237 25.9612 PRESSAVG: 3651400 -30.3765 8.85326 -31.5842 8.85316 -31.1123 38.175 -31.5841 38.1749 19.7978 GPRESSAVG: 3651400 -30.5728 7.0308 -30.4738 10.4445 -31.2467 36.6917 -32.9211 40.5531 20.1047 TIMING: 3651400 CPU: 10863.9, 0.00293501/step Wall: 10863.9, 0.00293501/step, 1.09949 hours remaining, 207.253906 MB of memory in use. ENERGY: 3651400 710.9859 2111.3907 1960.7419 109.0570 -205880.4391 17403.7836 0.0000 0.0000 34048.6861 -149535.7939 297.3556 -183584.4800 -149438.4979 298.8052 -210.0062 -176.9392 558297.0334 -13.8970 -13.9049 PRESSURE: 3651600 -42.1871 139.392 -11.4897 139.391 -2.29903 -27.3952 -11.4903 -27.3956 109.962 GPRESSURE: 3651600 28.8887 84.2348 -9.20167 266.569 36.0084 -50.8693 -35.4881 -9.74345 96.6569 PRESSAVG: 3651600 -10.5411 47.4749 -51.2098 47.475 -10.7454 21.5938 -51.2097 21.5938 28.3442 GPRESSAVG: 3651600 -10.0499 49.8262 -50.8861 44.4921 -10.4855 22.0442 -52.8696 21.1117 28.1909 TIMING: 3651600 CPU: 10864.5, 0.00293206/step Wall: 10864.5, 0.00293206/step, 1.09822 hours remaining, 207.253906 MB of memory in use. ENERGY: 3651600 728.9134 2067.3307 1911.6215 108.4444 -206289.0430 17776.0612 0.0000 0.0000 34169.8880 -149526.7838 298.4141 -183696.6718 -149435.9468 298.4624 21.8255 53.8513 557032.9845 2.3526 2.5519 PRESSURE: 3651800 -498.255 49.5617 -148.829 49.5615 -148.405 71.6975 -148.83 71.6989 -174.556 GPRESSURE: 3651800 -407.338 121.643 -177.159 -2.58181 -145.305 61.5223 -177.891 48.7389 -159.792 PRESSAVG: 3651800 1.92203 40.0194 9.71735 40.0194 -1.65685 -39.7205 9.71733 -39.7205 -11.6883 GPRESSAVG: 3651800 2.0641 38.0811 9.02249 41.931 -1.70529 -38.6028 11.8444 -40.1555 -10.9136 TIMING: 3651800 CPU: 10865, 0.00294161/step Wall: 10865, 0.00294161/step, 1.10163 hours remaining, 207.253906 MB of memory in use. ENERGY: 3651800 738.6978 2082.1330 1956.3247 116.2711 -205763.0833 17201.7654 0.0000 0.0000 33995.0631 -149672.8283 296.8873 -183667.8914 -149577.4474 297.9667 -273.7384 -237.4784 557841.0009 -3.8077 -3.5183 PRESSURE: 3652000 -221.608 -76.2336 34.9437 -76.2334 -497.59 163.012 34.9451 163.013 172.954 GPRESSURE: 3652000 -162.028 -106.251 108.475 -111.489 -461.636 113.903 -13.709 227.387 172.471 PRESSAVG: 3652000 -54.5646 4.06391 35.1198 4.06392 38.018 6.85758 35.1197 6.85763 -43.4042 GPRESSAVG: 3652000 -54.6656 4.74696 36.6703 3.7018 39.0893 4.28118 32.125 8.34063 -44.2877 TIMING: 3652000 CPU: 10865.6, 0.00294186/step Wall: 10865.6, 0.00294186/step, 1.10156 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3652000 764.7059 2082.6210 1943.1491 107.6189 -206138.3472 17695.3058 0.0000 0.0000 34078.9115 -149466.0349 297.6196 -183544.9465 -149369.6950 297.6971 -182.0813 -150.3976 558029.8880 -19.9836 -19.9547 PRESSURE: 3652200 -105.889 43.5933 51.8438 43.5925 -90.4761 80.952 51.844 80.952 -62.6305 GPRESSURE: 3652200 -66.9888 -6.04405 53.068 50.645 -68.0071 69.4171 60.8905 7.07316 -26.7217 PRESSAVG: 3652200 54.6538 22.7922 28.8792 22.7922 6.97635 17.3268 28.8791 17.3267 -25.8809 GPRESSAVG: 3652200 54.1738 23.2995 25.7568 22.9706 7.80998 19.3786 33.0459 16.8425 -25.5181 TIMING: 3652200 CPU: 10866.2, 0.00292221/step Wall: 10866.2, 0.00292221/step, 1.09404 hours remaining, 207.253906 MB of memory in use. ENERGY: 3652200 761.3961 2026.7252 1965.3804 124.2142 -206470.8756 17880.6772 0.0000 0.0000 34256.8591 -149455.6233 299.1737 -183712.4824 -149362.5157 298.9651 -86.3318 -53.9059 556882.9120 11.9164 12.1552 LDB: ============= START OF LOAD BALANCING ============== 10869.8 LDB: ============== END OF LOAD BALANCING =============== 10869.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10869.8 LDB: ============= START OF LOAD BALANCING ============== 10870.1 LDB: Largest compute 4796 load 0.025693 is 21.7% of average load 0.118269 LDB: Average compute 0.001739 is 1.5% of average load 0.118269 LDB: TIME 10870.1 LOAD: AVG 0.118269 MAX 0.196508 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.855 MB LDB: TIME 10870.1 LOAD: AVG 0.118269 MAX 0.196508 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.918 MB LDB: TIME 10870.1 LOAD: AVG 0.118269 MAX 0.196508 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.918 MB LDB: ============== END OF LOAD BALANCING =============== 10870.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10870.1 PRESSURE: 3652400 -104.098 -76.627 10.7398 -76.6264 14.456 -40.2417 10.7392 -40.2426 -59.8457 GPRESSURE: 3652400 -49.4732 -195.499 -30.9082 80.2064 17.0941 -19.7315 140.797 -66.6001 -27.2542 PRESSAVG: 3652400 10.5833 -22.4283 58.0225 -22.4284 -27.5366 3.51552 58.0226 3.51547 45.068 GPRESSAVG: 3652400 10.1753 -23.44 57.9805 -22.4014 -27.3172 4.21255 58.1442 0.614875 44.6846 TIMING: 3652400 CPU: 10866.8, 0.00300011/step Wall: 10866.8, 0.00300011/step, 1.12304 hours remaining, 206.855469 MB of memory in use. ENERGY: 3652400 748.2141 2035.0279 1933.4619 118.1908 -206586.4481 17832.4272 0.0000 0.0000 34284.4207 -149634.7055 299.4144 -183919.1262 -149537.4846 298.0482 -49.8292 -19.8778 557899.6381 9.3716 9.1809 PRESSURE: 3652600 -122.931 120.87 113.081 120.871 -78.4739 -12.4558 113.081 -12.4564 -213.312 GPRESSURE: 3652600 -102.148 165.893 116.542 97.1811 -21.7206 -24.2074 193.704 -32.8241 -206.601 PRESSAVG: 3652600 17.3868 42.8537 -17.3239 42.8537 5.36103 12.4587 -17.3239 12.4589 27.7024 GPRESSAVG: 3652600 16.9756 43.4982 -16.2415 41.9516 4.37238 10.5685 -18.4433 13.3027 29.2197 TIMING: 3652600 CPU: 10867.4, 0.00293394/step Wall: 10867.4, 0.00293394/step, 1.09811 hours remaining, 207.093750 MB of memory in use. ENERGY: 3652600 757.4772 2094.4718 1948.5275 117.7380 -206280.2340 17725.4813 0.0000 0.0000 34209.3117 -149427.2265 298.7584 -183636.5382 -149333.9104 298.4063 -138.2389 -110.1566 558794.3656 16.8167 16.8559 PRESSURE: 3652800 -268.381 2.28152 65.6136 2.28307 -54.2166 -30.6603 65.6136 -30.6607 -2.48191 GPRESSURE: 3652800 -263.647 106.245 78.7286 -34.3762 -26.9902 -55.7123 28.0618 -36.1839 75.3932 PRESSAVG: 3652800 -73.3457 -5.48708 -2.54979 -5.48712 70.4511 -5.99481 -2.54982 -5.99477 27.6412 GPRESSAVG: 3652800 -70.7809 -6.52804 -1.20591 -4.79143 70.3277 -4.99837 -3.98741 -6.46012 25.5675 TIMING: 3652800 CPU: 10868, 0.002942/step Wall: 10868, 0.002942/step, 1.10096 hours remaining, 207.093750 MB of memory in use. ENERGY: 3652800 739.5941 2104.4640 1940.7591 104.6670 -206075.4506 17775.8518 0.0000 0.0000 34025.0975 -149385.0171 297.1496 -183410.1146 -149290.6444 298.7449 -108.3597 -71.7482 557284.6462 8.2489 8.3714 PRESSURE: 3653000 47.6074 -22.0588 257.887 -22.0583 52.6502 -210.967 257.888 -210.968 -79.6595 GPRESSURE: 3653000 110.434 -11.1101 227.303 -119.209 80.6523 -218.27 233.971 -212.396 -63.3976 PRESSAVG: 3653000 52.6515 22.0256 34.1496 22.0257 -9.0476 -24.4756 34.1496 -24.4756 -22.6168 GPRESSAVG: 3653000 50.9119 24.8017 32.2783 19.7014 -8.21231 -23.7893 34.2129 -24.2268 -21.3206 TIMING: 3653000 CPU: 10868.6, 0.00293612/step Wall: 10868.6, 0.00293612/step, 1.0986 hours remaining, 207.093750 MB of memory in use. ENERGY: 3653000 727.0577 2062.1829 1938.9426 106.7995 -206475.8233 17881.8983 0.0000 0.0000 34214.0798 -149544.8626 298.8001 -183758.9424 -149448.5289 298.8738 6.8660 42.5629 556680.1725 6.9957 7.1263 PRESSURE: 3653200 38.6546 -7.75337 -88.6546 -7.75421 -120.827 -87.8449 -88.6545 -87.8423 -106.82 GPRESSURE: 3653200 99.2514 -9.64593 -109.713 -34.2303 -84.8505 -110.84 -129.885 -51.8632 -104.131 PRESSAVG: 3653200 13.4294 10.4474 -0.719141 10.4474 -3.413 -11.0175 -0.71918 -11.0174 9.9827 GPRESSAVG: 3653200 15.5857 10.2468 -0.559202 10.7432 -4.20156 -11.0119 1.38471 -9.19246 8.52251 TIMING: 3653200 CPU: 10869.2, 0.0029626/step Wall: 10869.2, 0.0029626/step, 1.10834 hours remaining, 207.093750 MB of memory in use. ENERGY: 3653200 779.1882 2063.3127 1931.3000 115.8904 -206421.7978 17795.8761 0.0000 0.0000 34245.3992 -149490.8310 299.0736 -183736.2303 -149394.9802 298.6984 -62.9976 -29.9101 557846.5876 6.6664 6.6356 PRESSURE: 3653400 -131.857 -86.9657 68.236 -86.9648 -128.035 -91.279 68.2367 -91.2785 -113.157 GPRESSURE: 3653400 -95.7662 -119.64 72.3008 -35.3443 -111.892 -33.6385 13.0499 -48.3975 -63.7305 PRESSAVG: 3653400 53.6875 -65.6814 10.5199 -65.6813 -40.1798 -44.8599 10.5199 -44.8598 12.4775 GPRESSAVG: 3653400 52.2053 -68.82 10.4466 -62.4726 -40.014 -44.8844 8.07853 -47.465 13.2123 TIMING: 3653400 CPU: 10869.8, 0.00295895/step Wall: 10869.8, 0.00295896/step, 1.10681 hours remaining, 207.093750 MB of memory in use. ENERGY: 3653400 757.5076 2049.1359 1949.0115 116.1652 -205969.8459 17534.7695 0.0000 0.0000 34168.8920 -149394.3642 298.4054 -183563.2562 -149293.3762 299.0133 -124.3494 -90.4630 556927.0471 8.6617 8.4679 PRESSURE: 3653600 55.7868 18.6971 -81.042 18.6963 208.23 -58.9893 -81.0417 -58.9897 -70.7967 GPRESSURE: 3653600 75.0741 27.5698 -82.7224 22.2375 201.938 -40.6604 -124.308 -124.895 20.4511 PRESSAVG: 3653600 55.9367 -10.6353 -46.5038 -10.6353 -12.3237 36.8125 -46.5039 36.8125 -15.6719 GPRESSAVG: 3653600 55.3469 -7.67852 -45.8745 -13.3683 -11.9827 35.4396 -44.5282 37.4059 -15.2062 TIMING: 3653600 CPU: 10870.4, 0.00296235/step Wall: 10870.4, 0.00296235/step, 1.10792 hours remaining, 207.093750 MB of memory in use. ENERGY: 3653600 776.6653 2063.2882 1905.0442 111.6227 -206339.7993 17944.5991 0.0000 0.0000 34062.8539 -149475.7259 297.4794 -183538.5798 -149380.6692 298.9008 64.4065 99.1543 557515.3253 9.3137 9.3860 PRESSURE: 3653800 31.2427 51.6489 193.088 51.6489 -362.694 96.3253 193.088 96.3258 -56.3972 GPRESSURE: 3653800 26.1316 40.9886 186.937 87.3126 -246.924 6.04792 148.763 206.758 -69.647 PRESSAVG: 3653800 36.8246 27.1106 42.9802 27.1106 -20.5538 -59.0473 42.9802 -59.0474 -10.951 GPRESSAVG: 3653800 36.9017 23.1656 41.8208 28.6857 -20.0739 -57.5051 41.5505 -57.7624 -11.7226 TIMING: 3653800 CPU: 10870.9, 0.00293796/step Wall: 10870.9, 0.00293796/step, 1.09863 hours remaining, 207.093750 MB of memory in use. ENERGY: 3653800 763.5202 2048.9506 1946.0656 106.8058 -206345.4676 17663.2910 0.0000 0.0000 34300.1392 -149516.6952 299.5516 -183816.8344 -149415.6419 298.9359 -129.2828 -96.8131 557502.2754 1.7733 1.7018 PRESSURE: 3654000 201.306 -118.219 116.008 -118.22 216.605 -86.6249 116.008 -86.6249 319.167 GPRESSURE: 3654000 275.913 -120.256 165.582 -104.676 182.312 -100.994 83.1095 -104.823 375.991 PRESSAVG: 3654000 59.001 -14.051 29.1874 -14.051 -19.0682 -36.8261 29.1875 -36.8261 -16.6405 GPRESSAVG: 3654000 60.5712 -12.3203 32.4129 -14.0218 -18.6683 -37.9811 27.4538 -37.9022 -18.8866 TIMING: 3654000 CPU: 10871.5, 0.00292844/step Wall: 10871.5, 0.00292844/step, 1.09491 hours remaining, 207.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3654000 705.4295 2028.0915 1964.4031 107.0289 -206687.2009 18123.6941 0.0000 0.0000 34200.4894 -149558.0644 298.6814 -183758.5538 -149467.4678 298.4578 245.6926 278.0719 555657.5405 7.7641 7.6721 PRESSURE: 3654200 34.4349 162.564 -74.004 162.564 133.929 62.7881 -74.003 62.7871 -93.0817 GPRESSURE: 3654200 136.86 134.547 -127.036 113.211 195.514 75.6596 -2.31307 -6.73886 -166.873 PRESSAVG: 3654200 -15.6333 11.0619 21.7401 11.0619 14.1798 -52.3025 21.7402 -52.3026 19.7106 GPRESSAVG: 3654200 -15.5545 10.9065 18.8834 9.73865 12.7054 -50.9544 24.9261 -51.5991 21.2356 TIMING: 3654200 CPU: 10872.1, 0.00293696/step Wall: 10872.1, 0.00293696/step, 1.09794 hours remaining, 207.093750 MB of memory in use. ENERGY: 3654200 780.7557 2152.7678 1914.9776 110.7042 -206519.1361 17875.2911 0.0000 0.0000 34211.6100 -149473.0298 298.7785 -183684.6398 -149378.6522 298.4825 25.0940 55.1670 556338.1338 6.0857 6.1289 PRESSURE: 3654400 -19.6061 72.4187 69.1784 72.4183 -303.254 -184.651 69.1784 -184.651 -42.531 GPRESSURE: 3654400 -37.6942 66.4022 36.2341 13.811 -268.541 -206.187 96.7388 -131.329 23.7958 PRESSAVG: 3654400 -28.7361 -47.8377 34.1514 -47.8378 6.9596 -23.9187 34.1513 -23.9187 25.848 GPRESSAVG: 3654400 -29.7448 -48.4584 36.2979 -46.9363 6.84889 -25.7799 34.2076 -24.2668 26.997 TIMING: 3654400 CPU: 10872.7, 0.00291393/step Wall: 10872.7, 0.00291393/step, 1.08916 hours remaining, 207.093750 MB of memory in use. ENERGY: 3654400 761.4468 2106.2938 1939.9948 111.3932 -206167.9980 17705.4349 0.0000 0.0000 34079.8345 -149463.6000 297.6277 -183543.4345 -149359.2646 298.7183 -121.7971 -94.1464 556542.9145 1.3572 1.3671 PRESSURE: 3654600 -152.404 -195.353 -87.8712 -195.353 -121.865 -73.8884 -87.869 -73.8873 -342.026 GPRESSURE: 3654600 -114.518 -251.655 -22.4625 -222.411 -119.958 -26.5817 -147.178 -50.8099 -289.338 PRESSAVG: 3654600 28.4435 -28.2703 -44.8268 -28.2703 -95.2974 -20.5657 -44.8268 -20.5657 30.7218 GPRESSAVG: 3654600 27.9094 -29.8216 -46.8919 -28.276 -93.9452 -16.9406 -43.8535 -22.4245 29.745 TIMING: 3654600 CPU: 10873.3, 0.00293916/step Wall: 10873.3, 0.00293916/step, 1.09843 hours remaining, 207.093750 MB of memory in use. ENERGY: 3654600 747.2852 2146.9730 1928.9450 120.6236 -206365.6124 17669.4260 0.0000 0.0000 34172.1270 -149580.2327 298.4337 -183752.3597 -149486.4427 297.7562 -205.4315 -174.6048 557715.0848 -12.0440 -12.0969 PRESSURE: 3654800 254.62 -101.584 144.189 -101.584 -91.6267 128.153 144.189 128.152 -85.3766 GPRESSURE: 3654800 349.359 -46.4324 209.498 -158.105 -73.7201 111.961 114.431 75.6054 -86.0775 PRESSAVG: 3654800 23.7658 -44.5925 -18.9536 -44.5926 5.3761 -6.58775 -18.9537 -6.58779 -32.8965 GPRESSAVG: 3654800 24.0138 -42.1353 -18.0089 -46.0419 3.58826 -9.41251 -20.2576 -5.38655 -31.1621 TIMING: 3654800 CPU: 10873.9, 0.00292719/step Wall: 10873.9, 0.00292719/step, 1.09379 hours remaining, 207.093750 MB of memory in use. ENERGY: 3654800 734.8804 2088.4118 1920.5899 115.2289 -206279.8977 17831.3329 0.0000 0.0000 33933.5934 -149655.8602 296.3505 -183589.4536 -149563.4583 297.9966 25.8724 63.1871 556912.1997 -1.2515 -1.1867 PRESSURE: 3655000 142.586 -38.465 122.358 -38.4647 215.043 -106.911 122.358 -106.909 -223.386 GPRESSURE: 3655000 164.831 -40.8887 115.163 -20.4829 296.211 -112.687 159.472 -74.6277 -221.16 PRESSAVG: 3655000 12.2597 -41.0763 37.8569 -41.0762 -11.176 13.9292 37.8569 13.9291 -3.72576 GPRESSAVG: 3655000 13.6358 -41.3157 38.2309 -40.3618 -11.0349 13.5104 37.8874 13.856 -4.96012 TIMING: 3655000 CPU: 10874.5, 0.00292038/step Wall: 10874.5, 0.00292038/step, 1.09108 hours remaining, 207.093750 MB of memory in use. ENERGY: 3655000 711.3045 2023.8669 1958.1221 106.1784 -206914.7628 18101.5115 0.0000 0.0000 34219.0013 -149794.7782 298.8430 -184013.7795 -149694.5683 297.8764 44.7478 79.9606 556486.4967 -0.8807 -0.7864 PRESSURE: 3655200 -291.237 -155.843 204.42 -155.844 -234.183 89.6252 204.421 89.6259 -241.674 GPRESSURE: 3655200 -275.289 -176.243 266.792 -169.67 -186.636 45.4301 128.931 138.459 -207.449 PRESSAVG: 3655200 28.8349 -1.19318 -15.3454 -1.19331 1.48537 16.6763 -15.3453 16.6764 -39.0558 GPRESSAVG: 3655200 28.1594 0.405968 -15.3672 -0.540496 2.24224 19.3297 -15.3614 16.6731 -39.3568 TIMING: 3655200 CPU: 10875, 0.00291569/step Wall: 10875, 0.00291569/step, 1.08917 hours remaining, 207.093750 MB of memory in use. ENERGY: 3655200 721.4330 2111.5765 1954.5208 102.7012 -206200.3142 17381.5223 0.0000 0.0000 33977.7907 -149950.7698 296.7365 -183928.5605 -149850.8669 297.0575 -255.6982 -223.1248 557431.8766 -2.9119 -2.9851 PRESSURE: 3655400 -169.368 -77.4899 53.615 -77.4904 -193.121 -47.1033 53.6153 -47.1033 9.51951 GPRESSURE: 3655400 -126.243 -89.6019 89.9181 -1.46459 -211.002 -42.7416 16.2235 -33.0935 82.9024 PRESSAVG: 3655400 -39.3626 52.1581 -19.1016 52.158 -5.23457 33.6509 -19.1017 33.651 16.4111 GPRESSAVG: 3655400 -39.2172 50.3684 -18.9981 51.9674 -6.5897 31.8369 -17.4395 34.267 17.1244 TIMING: 3655400 CPU: 10875.6, 0.00291163/step Wall: 10875.6, 0.00291163/step, 1.08749 hours remaining, 207.093750 MB of memory in use. ENERGY: 3655400 755.8688 2119.5724 1956.8890 102.3192 -206529.6221 17823.5710 0.0000 0.0000 33888.7703 -149882.6314 295.9591 -183771.4017 -149787.6116 297.4711 -117.6564 -84.7806 556891.2924 -9.3954 -9.5608 PRESSURE: 3655600 -11.8822 222.212 3.46587 222.211 64.235 149.485 3.46764 149.485 229.383 GPRESSURE: 3655600 42.1357 222.512 -38.6392 228.53 80.264 154.3 177.226 175.225 246.17 PRESSAVG: 3655600 -34.1603 -12.5926 3.82757 -12.5927 -11.9771 -33.9049 3.82747 -33.9049 4.36962 GPRESSAVG: 3655600 -34.0243 -12.1578 4.56707 -11.5858 -12.0814 -31.8808 2.9238 -35.2886 4.29336 TIMING: 3655600 CPU: 10876.2, 0.00292088/step Wall: 10876.2, 0.00292088/step, 1.09079 hours remaining, 207.093750 MB of memory in use. ENERGY: 3655600 741.3681 2080.7892 1932.4212 113.9542 -206927.7393 18114.9371 0.0000 0.0000 34036.8829 -149907.3867 297.2526 -183944.2696 -149808.7175 296.8503 93.9119 122.8566 556550.1598 -13.9226 -13.9375 PRESSURE: 3655800 -180.534 -12.3733 -8.94143 -12.3744 -404.013 108.973 -8.94086 108.973 -57.1312 GPRESSURE: 3655800 -154.301 2.73331 -2.61456 -70.9914 -335.664 19.1071 -26.5883 106.244 -50.5738 PRESSAVG: 3655800 -40.2718 -55.907 -10.0321 -55.907 59.6108 24.5007 -10.0321 24.5007 22.3188 GPRESSAVG: 3655800 -40.2688 -55.942 -10.5143 -57.1555 60.2023 22.451 -10.806 26.8238 21.9409 TIMING: 3655800 CPU: 10876.8, 0.00293807/step Wall: 10876.8, 0.00293807/step, 1.09704 hours remaining, 207.093750 MB of memory in use. ENERGY: 3655800 746.4755 2054.2789 1937.2335 113.9284 -206603.0501 17684.4514 0.0000 0.0000 34081.1116 -149985.5708 297.6388 -184066.6824 -149893.0181 297.4043 -213.8926 -180.1793 556850.4069 13.8859 13.9581 PRESSURE: 3656000 -292.91 -67.4553 -122.255 -67.4551 -38.1089 -74.8587 -122.254 -74.8587 71.622 GPRESSURE: 3656000 -296.293 4.7094 -19.0321 -79.1112 15.2077 -16.2028 -116.868 -65.3986 112.675 PRESSAVG: 3656000 32.0357 -53.4766 -42.9841 -53.4766 -29.5484 29.2051 -42.9842 29.205 23.7581 GPRESSAVG: 3656000 32.3683 -52.5974 -42.2966 -52.5108 -29.7399 32.139 -42.2563 26.6674 23.9833 TIMING: 3656000 CPU: 10877.4, 0.00293647/step Wall: 10877.4, 0.00293647/step, 1.09628 hours remaining, 207.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3656000 719.4239 2117.1628 1925.9523 104.7615 -206454.3230 17752.4664 0.0000 0.0000 33840.0910 -149994.4650 295.5339 -183834.5560 -149897.4691 297.5316 -86.4657 -56.1370 556345.1720 8.7485 8.8706 PRESSURE: 3656200 -8.11154 -84.9395 0.561959 -84.9406 151.667 -106.963 0.561379 -106.962 243.105 GPRESSURE: 3656200 67.6886 -94.9555 38.4832 -190.428 220.001 -128.97 -0.4698 -77.7987 205.414 PRESSAVG: 3656200 -18.6853 -27.5624 -16.1243 -27.5625 -13.6483 28.2846 -16.1243 28.2846 22.19 GPRESSAVG: 3656200 -21.039 -28.836 -16.1131 -29.0898 -11.7017 24.8821 -16.4966 30.1553 22.7014 TIMING: 3656200 CPU: 10878, 0.00293668/step Wall: 10878, 0.00293668/step, 1.0962 hours remaining, 207.093750 MB of memory in use. ENERGY: 3656200 754.7987 2097.9276 1920.5740 117.4919 -207021.7484 18214.8606 0.0000 0.0000 34073.4133 -149842.6823 297.5716 -183916.0956 -149747.1593 297.2616 128.8870 164.3680 555633.4155 -3.3812 -3.3464 LDB: ============= START OF LOAD BALANCING ============== 10881.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10881.5 LDB: =============== DONE WITH MIGRATION ================ 10881.5 LDB: ============= START OF LOAD BALANCING ============== 10881.8 LDB: Largest compute 4796 load 0.024067 is 20.3% of average load 0.118306 LDB: Average compute 0.001737 is 1.5% of average load 0.118306 LDB: TIME 10881.8 LOAD: AVG 0.118306 MAX 0.195631 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.285 MB LDB: TIME 10881.8 LOAD: AVG 0.118306 MAX 0.195631 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.285 MB LDB: TIME 10881.8 LOAD: AVG 0.118306 MAX 0.195631 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.285 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10881.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10881.8 PRESSURE: 3656400 -107.924 138.952 36.3553 138.951 -142.375 -110.946 36.3562 -110.946 -26.8227 GPRESSURE: 3656400 -45.4663 177.055 -52.8693 129.292 -114.387 -170.311 106.431 -68.4572 -22.6867 PRESSAVG: 3656400 -20.6434 -15.7563 15.5039 -15.7563 62.4088 -9.08893 15.5039 -9.08894 -27.4135 GPRESSAVG: 3656400 -18.7688 -13.8237 16.3228 -15.3386 60.4548 -7.53217 14.3297 -7.66359 -27.1692 TIMING: 3656400 CPU: 10878.6, 0.00298125/step Wall: 10878.6, 0.00298125/step, 1.11267 hours remaining, 207.765625 MB of memory in use. ENERGY: 3656400 720.1487 2093.8246 1966.4635 120.6998 -206557.7104 17881.2497 0.0000 0.0000 34048.6336 -149726.6905 297.3552 -183775.3241 -149629.8443 297.3705 -92.3738 -60.8468 557726.4079 4.7840 4.8389 PRESSURE: 3656600 71.5745 169.709 90.1713 169.709 130.808 -65.2322 90.1717 -65.232 -90.5433 GPRESSURE: 3656600 77.2891 181.837 102.459 125.683 143.608 11.1065 132.955 -145.147 -15.247 PRESSAVG: 3656600 -43.4507 2.52937 5.69854 2.52941 12.9125 -2.81063 5.69853 -2.81081 49.9874 GPRESSAVG: 3656600 -44.3641 3.68238 5.30848 1.80415 14.4471 -2.10287 8.51506 -5.04748 49.4406 TIMING: 3656600 CPU: 10879.1, 0.00291207/step Wall: 10879.1, 0.00291207/step, 1.08669 hours remaining, 207.765625 MB of memory in use. ENERGY: 3656600 707.0390 2123.8920 1941.9840 108.0135 -206783.6116 17942.7815 0.0000 0.0000 34230.5878 -149729.3139 298.9442 -183959.9017 -149627.9309 298.1617 37.2797 68.5501 557289.3993 6.4831 6.5079 PRESSURE: 3656800 -298.574 65.6746 118.283 65.6738 -230.063 78.9147 118.285 78.9159 -244.898 GPRESSURE: 3656800 -247.865 33.6266 103.016 69.0004 -200.596 10.537 169.744 86.7367 -224.475 PRESSAVG: 3656800 -11.5074 67.0651 31.0259 67.0651 14.4729 9.63463 31.0259 9.63463 -26.5539 GPRESSAVG: 3656800 -11.5772 62.8328 29.2872 68.5642 13.8279 10.7561 30.1676 8.74654 -25.8181 TIMING: 3656800 CPU: 10879.7, 0.00294422/step Wall: 10879.7, 0.00294422/step, 1.09852 hours remaining, 207.765625 MB of memory in use. ENERGY: 3656800 735.2569 2074.7014 1934.4945 105.0561 -206599.6211 17616.9287 0.0000 0.0000 34226.8615 -149906.3221 298.9117 -184133.1836 -149806.0192 298.3331 -257.8451 -224.3122 557280.1433 -7.8628 -7.8558 PRESSURE: 3657000 -306.249 -101.225 253.901 -101.226 333.48 -80.2394 253.901 -80.2404 -192.186 GPRESSURE: 3657000 -240.951 -154.481 246.393 -135.995 342.997 -87.5694 285.417 -42.347 -180.359 PRESSAVG: 3657000 -85.6676 -40.8519 15.4595 -40.8519 2.02878 27.6094 15.4595 27.6096 23.0899 GPRESSAVG: 3657000 -85.3146 -39.7149 17.3857 -40.1743 1.94771 25.1632 14.8902 28.0788 22.7522 TIMING: 3657000 CPU: 10880.3, 0.00296378/step Wall: 10880.3, 0.00296378/step, 1.10566 hours remaining, 207.765625 MB of memory in use. ENERGY: 3657000 708.7531 2079.0366 1987.6176 113.5473 -206884.7957 18028.0174 0.0000 0.0000 34269.9828 -149697.8408 299.2883 -183967.8237 -149600.3977 297.5683 -54.9849 -26.1043 557471.6705 -20.1830 -20.2049 PRESSURE: 3657200 68.7221 -279.877 21.4645 -279.878 -27.3818 16.5445 21.4646 16.5439 -131.351 GPRESSURE: 3657200 55.0512 -301.369 13.8065 -270.089 4.36849 93.557 83.2411 -26.658 -59.2098 PRESSAVG: 3657200 -51.5568 -13.2804 -20.0442 -13.2804 60.0589 28.0862 -20.0443 28.086 -21.4126 GPRESSAVG: 3657200 -52.5897 -9.54342 -22.3583 -15.0551 60.2027 27.0505 -17.3059 30.0937 -21.0129 TIMING: 3657200 CPU: 10880.9, 0.00294744/step Wall: 10880.9, 0.00294744/step, 1.0994 hours remaining, 207.765625 MB of memory in use. ENERGY: 3657200 720.0543 2096.9370 1947.1961 100.2700 -206598.1667 17931.4877 0.0000 0.0000 34027.0312 -149775.1904 297.1665 -183802.2216 -149674.7646 297.8184 -30.0037 0.0700 557778.3090 -4.3035 -4.4666 PRESSURE: 3657400 38.7009 -14.5184 43.8657 -14.519 88.6128 90.9766 43.8657 90.9766 53.6479 GPRESSURE: 3657400 94.2694 53.8383 36.4927 -83.1669 126.918 53.7794 29.327 145.986 52.0176 PRESSAVG: 3657400 49.0173 48.7167 13.8189 48.7167 69.1334 62.3643 13.8189 62.3644 -71.8326 GPRESSAVG: 3657400 50.0196 47.4525 14.7674 48.3851 68.8298 64.9623 13.081 59.6959 -72.6828 TIMING: 3657400 CPU: 10881.5, 0.00294944/step Wall: 10881.5, 0.00294944/step, 1.09998 hours remaining, 207.765625 MB of memory in use. ENERGY: 3657400 722.3303 2063.5116 1945.3104 109.8438 -206320.7418 17707.3728 0.0000 0.0000 34056.1586 -149716.2143 297.4209 -183772.3729 -149623.7939 297.5160 60.3205 91.0682 556450.3660 15.4393 15.3889 PRESSURE: 3657600 140.995 59.6904 43.1719 59.6899 -103.523 86.3148 43.1711 86.3143 -53.0544 GPRESSURE: 3657600 105.265 60.9166 11.3716 -6.00458 -46.1786 -52.9607 10.7444 79.8857 25.9475 PRESSAVG: 3657600 0.386841 70.4456 6.7251 70.4456 -26.6074 43.8158 6.72511 43.8158 25.4987 GPRESSAVG: 3657600 -0.00282113 70.4893 7.77349 71.3007 -26.942 42.2592 3.76698 44.2778 26.4077 TIMING: 3657600 CPU: 10882.1, 0.00293843/step Wall: 10882.1, 0.00293843/step, 1.09571 hours remaining, 208.023438 MB of memory in use. ENERGY: 3657600 706.9557 2095.3851 1944.8438 113.6949 -206825.2612 18011.6320 0.0000 0.0000 34156.4196 -149796.3301 298.2965 -183952.7497 -149700.8470 296.8597 -5.1942 28.3446 558545.6469 -0.2406 -0.1790 PRESSURE: 3657800 82.2011 -47.9654 -71.5202 -47.964 -6.60833 31.9909 -71.5203 31.9919 -8.13093 GPRESSURE: 3657800 118.718 -156.197 -73.8493 30.2013 -15.8926 39.1495 -58.493 -18.6211 63.2503 PRESSAVG: 3657800 -11.1332 43.9349 -0.931947 43.9349 46.0214 -7.58458 -0.931905 -7.58459 -4.08968 GPRESSAVG: 3657800 -12.4992 43.791 -1.69966 45.0698 47.6124 -5.51973 -1.27311 -8.63647 -4.32426 TIMING: 3657800 CPU: 10882.7, 0.00293482/step Wall: 10882.7, 0.00293482/step, 1.0942 hours remaining, 208.023438 MB of memory in use. ENERGY: 3657800 742.3083 2018.1456 1937.0900 129.7935 -206877.4131 18228.5504 0.0000 0.0000 33926.9127 -149894.6126 296.2922 -183821.5253 -149804.0870 296.8498 22.4873 55.3584 558040.9622 10.2662 10.2630 PRESSURE: 3658000 245.059 28.251 52.2953 28.2519 60.3438 -47.2226 52.2952 -47.2236 -12.9912 GPRESSURE: 3658000 240.907 49.6945 45.9384 72.3838 79.0187 24.5892 77.514 -5.04449 62.3884 PRESSAVG: 3658000 41.0447 79.4346 4.91447 79.4346 16.4685 35.861 4.91447 35.8608 -36.4364 GPRESSAVG: 3658000 42.6246 80.4703 4.16273 79.3227 14.4143 34.9624 6.23969 38.0979 -36.513 TIMING: 3658000 CPU: 10883.3, 0.00291497/step Wall: 10883.3, 0.00291497/step, 1.08664 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3658000 749.3813 2085.7784 1912.8369 109.0876 -206888.9820 18151.2065 0.0000 0.0000 33970.2489 -149910.4424 296.6706 -183880.6913 -149815.0979 297.3794 97.4705 127.4380 557549.8150 7.0256 6.8420 PRESSURE: 3658200 54.0162 -70.9197 -13.9732 -70.9193 62.2286 -8.41225 -13.9729 -8.41224 0.405935 GPRESSURE: 3658200 74.1557 -70.725 49.8407 -4.98172 70.36 -19.7149 -24.5479 -51.861 64.4384 PRESSAVG: 3658200 36.4554 -0.536699 30.9362 -0.536617 -27.7797 50.744 30.9361 50.7441 -8.98621 GPRESSAVG: 3658200 35.5215 0.855859 32.232 -1.4983 -26.9473 49.8769 30.8514 52.3242 -8.79675 TIMING: 3658200 CPU: 10883.9, 0.00294603/step Wall: 10883.9, 0.00294603/step, 1.09805 hours remaining, 208.023438 MB of memory in use. ENERGY: 3658200 789.7813 2089.8557 1945.4657 110.3288 -206702.2211 18112.2699 0.0000 0.0000 33885.2316 -149769.2881 295.9282 -183654.5197 -149676.9276 296.9560 38.8836 69.6513 556873.5643 -0.1035 -0.0742 PRESSURE: 3658400 -167.793 44.137 -96.2512 44.1366 -231.643 -57.1015 -96.2513 -57.1016 125.278 GPRESSURE: 3658400 -133.975 -68.9799 -136.389 15.3426 -119.105 -49.863 -95.8451 51.9181 83.4046 PRESSAVG: 3658400 7.09737 60.4956 -5.91758 60.4955 37.6777 8.35772 -5.91757 8.35771 -48.7841 GPRESSAVG: 3658400 9.13657 59.5618 -4.55486 60.4444 36.1187 10.24 -5.78629 6.99609 -48.8428 TIMING: 3658400 CPU: 10884.4, 0.00293304/step Wall: 10884.4, 0.00293303/step, 1.09304 hours remaining, 208.023438 MB of memory in use. ENERGY: 3658400 722.6464 2059.2106 1932.2894 113.4841 -206326.3870 17743.1210 0.0000 0.0000 34085.9911 -149669.6443 297.6814 -183755.6354 -149570.5466 297.0820 -91.3858 -56.5584 557119.8341 -1.3363 -1.1958 PRESSURE: 3658600 -42.9394 -78.5964 18.0424 -78.5961 -110.938 237.077 18.0421 237.077 -51.9862 GPRESSURE: 3658600 -20.3942 -95.2716 -16.1178 -14.6076 -111.238 235.589 88.7077 211.411 20.6551 PRESSAVG: 3658600 -28.3009 32.6796 -29.3499 32.6797 -20.434 12.6661 -29.3499 12.666 46.0072 GPRESSAVG: 3658600 -29.3205 30.438 -30.9828 33.188 -21.2484 11.5173 -30.5121 12.6894 47.527 TIMING: 3658600 CPU: 10885, 0.00293684/step Wall: 10885, 0.00293684/step, 1.0943 hours remaining, 208.023438 MB of memory in use. ENERGY: 3658600 740.0557 2123.5466 1938.8534 126.1038 -206529.9290 17775.9825 0.0000 0.0000 34087.7105 -149737.6765 297.6965 -183825.3869 -149645.3718 297.4893 -68.6211 -36.9924 556474.2384 -0.9093 -1.0140 PRESSURE: 3658800 -3.09228 -136.362 -79.879 -136.361 -23.796 -70.7403 -79.8795 -70.7407 46.7121 GPRESSURE: 3658800 -26.9153 -49.193 -72.157 -215.07 41.1878 -73.6122 12.2691 -99.9255 115.132 PRESSAVG: 3658800 -51.1134 1.05254 -33.3541 1.05262 -7.6345 23.47 -33.354 23.47 27.5073 GPRESSAVG: 3658800 -50.4223 2.05255 -32.4322 1.95189 -6.35822 22.7594 -32.7307 23.2401 25.763 TIMING: 3658800 CPU: 10885.6, 0.0029606/step Wall: 10885.6, 0.0029606/step, 1.10299 hours remaining, 208.023438 MB of memory in use. ENERGY: 3658800 777.2626 2132.6842 1944.9615 111.0385 -206848.2533 18125.4348 0.0000 0.0000 34118.6818 -149638.1899 297.9669 -183756.8717 -149545.9505 297.6066 6.6079 43.1350 557161.4680 -10.4135 -10.3392 PRESSURE: 3659000 -236.435 56.0961 -102.54 56.0956 -189.262 -97.6459 -102.539 -97.6451 -44.2275 GPRESSURE: 3659000 -239.644 98.3858 -25.8865 34.1471 -153.842 -25.4835 -160.093 -24.7343 15.7533 PRESSAVG: 3659000 -16.6629 -35.0358 23.3766 -35.0358 10.9327 -16.4393 23.3766 -16.4393 -1.51327 GPRESSAVG: 3659000 -16.752 -34.4028 23.5581 -36.2083 10.4721 -17.4683 23.3334 -15.2142 -1.1294 TIMING: 3659000 CPU: 10886.2, 0.00298272/step Wall: 10886.2, 0.00298272/step, 1.11106 hours remaining, 208.023438 MB of memory in use. ENERGY: 3659000 748.5920 2056.2660 1948.7402 107.8650 -206609.8766 17942.5028 0.0000 0.0000 33989.3520 -149816.5587 296.8375 -183805.9106 -149715.2691 297.9668 -156.6417 -125.9108 558915.0379 -2.4145 -2.4697 PRESSURE: 3659200 -3.95103 87.0104 -42.3712 87.0097 -140.504 32.745 -42.3724 32.7451 52.3916 GPRESSURE: 3659200 2.52561 91.7065 -27.512 -29.4393 -35.0009 -24.6704 -62.9018 112.02 39.2974 PRESSAVG: 3659200 9.02759 19.6705 -20.1566 19.6706 -15.9182 71.6203 -20.1565 71.6202 7.96913 GPRESSAVG: 3659200 7.63655 18.0688 -20.5644 21.1534 -14.6892 72.7168 -20.8837 70.1748 8.25752 TIMING: 3659200 CPU: 10886.8, 0.00295891/step Wall: 10886.8, 0.00295891/step, 1.10203 hours remaining, 208.023438 MB of memory in use. ENERGY: 3659200 721.1081 2073.9868 1936.9296 115.8560 -206665.9713 17941.5487 0.0000 0.0000 34163.0441 -149713.4980 298.3544 -183876.5421 -149612.7941 297.9100 -30.6877 2.2740 556609.0998 0.3595 0.4016 PRESSURE: 3659400 -66.0952 80.9626 -171.247 80.9626 -281.52 -80.0055 -171.247 -80.005 -201.799 GPRESSURE: 3659400 -52.4163 107.539 -215.972 111.489 -269.433 38.2605 -111.5 -164.013 -134.059 PRESSAVG: 3659400 -37.4333 6.20375 -2.61899 6.20386 15.6211 -17.2615 -2.61892 -17.2613 47.1217 GPRESSAVG: 3659400 -37.4214 8.47231 -4.0385 5.25978 14.491 -20.2534 -0.953816 -14.8436 48.3264 TIMING: 3659400 CPU: 10887.4, 0.0029479/step Wall: 10887.4, 0.0029479/step, 1.09777 hours remaining, 208.023438 MB of memory in use. ENERGY: 3659400 759.6690 2073.6192 1952.8193 103.4979 -206367.9582 17602.9266 0.0000 0.0000 34141.7716 -149733.6545 298.1686 -183875.4261 -149630.2712 298.3379 -183.1383 -151.9694 556579.5033 8.4365 8.4653 PRESSURE: 3659600 -34.3649 11.1146 -50.6648 11.1142 230.917 -94.5044 -50.6659 -94.505 -120.037 GPRESSURE: 3659600 -43.2847 -6.35368 -74.8278 48.1301 271.882 -75.8233 -33.6616 -199.416 -52.6463 PRESSAVG: 3659600 -3.23124 7.87063 -42.8138 7.87067 22.2105 -7.38267 -42.8138 -7.3826 -47.4168 GPRESSAVG: 3659600 -3.04559 7.38026 -41.9289 7.77731 21.8028 -4.87742 -43.4855 -9.53698 -47.1871 TIMING: 3659600 CPU: 10888, 0.00294794/step Wall: 10888, 0.00294794/step, 1.09761 hours remaining, 208.023438 MB of memory in use. ENERGY: 3659600 764.4567 2073.1986 1941.4340 119.5486 -207019.2935 18209.7803 0.0000 0.0000 34185.6744 -149725.2010 298.5520 -183910.8753 -149628.5138 297.2410 25.5048 58.6503 557443.5101 -9.4792 -9.4766 PRESSURE: 3659800 -114.136 -103.763 -73.7997 -103.762 37.6554 3.40817 -73.7989 3.40919 -56.5869 GPRESSURE: 3659800 -121.946 -92.3482 -107.747 -116.14 143.447 -26.8742 -97.1486 -40.6235 -47.9841 PRESSAVG: 3659800 -4.63417 -22.8306 -15.6138 -22.8305 53.4861 -24.0685 -15.6138 -24.0685 -20.4031 GPRESSAVG: 3659800 -3.87579 -24.8971 -17.3497 -22.0381 53.6327 -24.7094 -16.728 -23.8022 -21.438 TIMING: 3659800 CPU: 10888.6, 0.00296524/step Wall: 10888.6, 0.00296524/step, 1.10389 hours remaining, 208.023438 MB of memory in use. ENERGY: 3659800 752.3798 2067.0043 1924.5813 112.5107 -206741.7126 18042.0150 0.0000 0.0000 34065.4248 -149777.7968 297.5018 -183843.2215 -149679.4741 297.3348 -44.3559 -8.8278 558683.3954 9.4829 9.4396 PRESSURE: 3660000 -97.7803 -87.7778 37.4958 -87.778 27.1883 208.125 37.4957 208.124 59.6574 GPRESSURE: 3660000 -58.7725 -56.3484 101.504 -129.712 87.2068 236.015 30.7694 227.688 60.468 PRESSAVG: 3660000 5.47532 -56.2348 -13.1584 -56.2349 52.367 -15.9989 -13.1584 -15.999 -66.3985 GPRESSAVG: 3660000 4.69079 -55.3633 -10.9117 -56.8636 53.0553 -15.0443 -13.1591 -18.287 -65.9987 TIMING: 3660000 CPU: 10889.2, 0.00296033/step Wall: 10889.2, 0.00296033/step, 1.1019 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3660000 747.3620 2049.1321 1958.2060 127.9481 -206580.9609 17998.2436 0.0000 0.0000 34184.5607 -149515.5084 298.5423 -183700.0691 -149419.1245 297.4653 -3.6448 29.6341 560364.8171 -2.8521 -2.7509 PRESSURE: 3660200 -116.709 -46.4252 174.222 -46.424 -307.662 -167.177 174.222 -167.177 84.0206 GPRESSURE: 3660200 -70.861 -85.4028 222.307 -21.9075 -269.074 -186.054 35.5293 -146.394 77.8204 PRESSAVG: 3660200 -122.054 -1.90964 -31.7453 -1.90963 39.321 -15.8888 -31.7453 -15.8886 13.3607 GPRESSAVG: 3660200 -121.467 -0.954271 -34.5565 -3.46523 38.4456 -15.9246 -30.2826 -14.0682 13.8366 TIMING: 3660200 CPU: 10889.8, 0.00295878/step Wall: 10889.8, 0.00295878/step, 1.10116 hours remaining, 208.023438 MB of memory in use. ENERGY: 3660200 763.3106 2027.1895 1924.6874 99.0580 -206193.9893 17743.2198 0.0000 0.0000 33896.4180 -149740.1060 296.0258 -183636.5239 -149646.8377 297.4832 -113.4499 -87.3716 558388.8793 -23.1240 -23.0616 LDB: ============= START OF LOAD BALANCING ============== 10893.3 LDB: ============== END OF LOAD BALANCING =============== 10893.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10893.3 LDB: ============= START OF LOAD BALANCING ============== 10893.6 LDB: Largest compute 4796 load 0.023694 is 20.0% of average load 0.118248 LDB: Average compute 0.001731 is 1.5% of average load 0.118248 LDB: TIME 10893.6 LOAD: AVG 0.118248 MAX 0.196704 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.703 MB LDB: TIME 10893.6 LOAD: AVG 0.118248 MAX 0.196704 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.773 MB LDB: TIME 10893.6 LOAD: AVG 0.118248 MAX 0.196704 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10893.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10893.6 PRESSURE: 3660400 -167.856 -195.16 -1.80579 -195.16 -0.982805 -8.73545 -1.80704 -8.73566 -71.1161 GPRESSURE: 3660400 -101.704 -242.909 -25.3212 -213.529 14.0731 -5.27152 -72.4511 -4.06569 -40.9857 PRESSAVG: 3660400 26.5799 2.0498 -21.5696 2.04983 6.98225 9.92957 -21.5697 9.92957 -3.93827 GPRESSAVG: 3660400 25.4368 2.32368 -22.1055 3.42917 8.76906 9.92988 -22.6203 8.79634 -3.62312 TIMING: 3660400 CPU: 10890.4, 0.00300614/step Wall: 10890.4, 0.00300614/step, 1.11862 hours remaining, 208.535156 MB of memory in use. ENERGY: 3660400 772.6394 2059.1121 1931.5780 111.0990 -206842.0049 17895.0448 0.0000 0.0000 34170.7220 -149901.8094 298.4214 -184072.5315 -149807.1186 297.5864 -79.9850 -42.8721 556121.4080 9.8746 10.1942 PRESSURE: 3660600 -32.9353 118.152 -209.306 118.152 -201.609 -33.8324 -209.307 -33.8323 65.9507 GPRESSURE: 3660600 18.3832 74.7357 -144.058 145.935 -167.17 -79.5648 -191.754 34.6208 66.7766 PRESSAVG: 3660600 -24.8317 1.61552 -9.86569 1.61556 54.7086 -14.4543 -9.86573 -14.4543 -29.1074 GPRESSAVG: 3660600 -23.7091 1.15207 -8.4644 1.25112 54.2819 -14.5507 -9.71863 -13.2381 -29.5155 TIMING: 3660600 CPU: 10891, 0.00293858/step Wall: 10891, 0.00293858/step, 1.09332 hours remaining, 208.734375 MB of memory in use. ENERGY: 3660600 726.5707 2057.1408 1938.4967 110.9913 -206385.9262 17849.6736 0.0000 0.0000 33934.6374 -149768.4157 296.3596 -183703.0531 -149676.3769 297.1208 -56.1979 -27.3366 557349.5271 0.2565 0.3524 PRESSURE: 3660800 -207.906 25.4606 -18.5215 25.4608 -196.293 -145.96 -18.5214 -145.96 -202.876 GPRESSURE: 3660800 -166.132 62.792 -24.8795 -6.43259 -154.174 -149.765 57.6357 -105.339 -193.605 PRESSAVG: 3660800 57.2354 67.5676 -39.6624 67.5676 -21.422 -47.0436 -39.6623 -47.0435 -32.9814 GPRESSAVG: 3660800 56.8174 68.8637 -37.689 67.4397 -21.6727 -48.1541 -40.4289 -45.6248 -32.8575 TIMING: 3660800 CPU: 10891.5, 0.00292689/step Wall: 10891.5, 0.00292689/step, 1.0888 hours remaining, 208.734375 MB of memory in use. ENERGY: 3660800 755.0821 2043.1039 1950.9013 116.3754 -206083.9936 17586.0956 0.0000 0.0000 33939.3379 -149693.0974 296.4007 -183632.4353 -149592.7664 296.9447 -202.3581 -171.3036 557958.7036 0.9440 0.7624 PRESSURE: 3661000 -132.738 55.1676 191.734 55.167 -84.1012 79.3625 191.733 79.3618 359.758 GPRESSURE: 3661000 -36.7716 52.553 120.993 28.2874 -125.437 103.492 162.947 24.9428 397.326 PRESSAVG: 3661000 31.1831 8.7933 5.73839 8.79326 -33.7843 -38.8849 5.73841 -38.8849 21.9968 GPRESSAVG: 3661000 30.6313 7.03358 3.86843 8.12754 -33.7861 -37.5525 5.97458 -41.1636 22.4309 TIMING: 3661000 CPU: 10892.1, 0.00294154/step Wall: 10892.1, 0.00294154/step, 1.09409 hours remaining, 208.734375 MB of memory in use. ENERGY: 3661000 751.1222 2113.4913 1926.5251 128.9030 -206516.6206 17923.2219 0.0000 0.0000 34098.4328 -149574.9242 297.7901 -183673.3570 -149482.6454 297.5204 47.6396 78.3724 556649.8989 6.4652 6.4254 PRESSURE: 3661200 -118.099 -140.881 32.3182 -140.88 -245.79 75.7826 32.3182 75.7829 181.781 GPRESSURE: 3661200 -67.2794 -114.814 54.8079 -89.4151 -170.326 70.1214 105.909 172.299 153.613 PRESSAVG: 3661200 -55.0626 31.9125 1.16835 31.9125 -29.605 40.6999 1.16837 40.7 67.3684 GPRESSAVG: 3661200 -53.5453 30.2478 0.260816 32.7051 -29.2652 40.0829 2.04468 41.9857 65.7496 TIMING: 3661200 CPU: 10892.7, 0.00292406/step Wall: 10892.7, 0.00292406/step, 1.08743 hours remaining, 208.992188 MB of memory in use. ENERGY: 3661200 739.3730 2074.8350 1949.7626 115.4818 -206548.0032 17891.8531 0.0000 0.0000 34384.5494 -149392.1484 300.2888 -183776.6978 -149290.1212 298.1782 -60.7026 -27.9976 557360.8377 -5.7664 -5.6870 PRESSURE: 3661400 185.189 -56.4205 5.10622 -56.4209 116.942 70.9187 5.10525 70.9173 114.124 GPRESSURE: 3661400 228.154 -103.204 65.5917 -105.483 160.888 36.1869 47.7802 78.3424 134.216 PRESSAVG: 3661400 6.77985 -16.6495 27.5307 -16.6495 -10.7217 50.3612 27.5306 50.3612 31.0507 GPRESSAVG: 3661400 5.81957 -14.4809 27.9454 -16.2479 -11.1576 51.3455 27.3384 47.8529 32.464 TIMING: 3661400 CPU: 10893.3, 0.0029603/step Wall: 10893.3, 0.0029603/step, 1.10074 hours remaining, 208.992188 MB of memory in use. ENERGY: 3661400 749.5570 2070.1811 1932.4340 100.4870 -206454.5097 17977.7721 0.0000 0.0000 34367.4875 -149256.5909 300.1398 -183624.0785 -149153.7829 299.0712 138.7517 174.4191 556862.5019 9.0363 9.0420 PRESSURE: 3661600 -36.6877 -44.9029 -124.588 -44.9026 145.002 3.19591 -124.588 3.19611 -108.876 GPRESSURE: 3661600 -16.9166 -127.448 -152.303 -18.5502 157.056 -74.6389 -89.2643 35.7317 -53.7081 PRESSAVG: 3661600 11.5505 -52.7497 25.728 -52.7498 -23.3804 23.5946 25.7279 23.5946 -11.2939 GPRESSAVG: 3661600 12.6789 -52.6374 25.4186 -52.6187 -23.9842 22.7829 25.6446 24.6763 -11.586 TIMING: 3661600 CPU: 10893.9, 0.00293869/step Wall: 10893.9, 0.00293869/step, 1.09254 hours remaining, 208.992188 MB of memory in use. ENERGY: 3661600 745.6474 2082.9629 1931.7670 114.8284 -206314.2788 17763.9547 0.0000 0.0000 34393.8768 -149281.2417 300.3703 -183675.1185 -149193.2166 298.7146 -0.1873 28.8105 557847.4387 -7.7079 -7.6304 PRESSURE: 3661800 -347.971 23.458 118.825 23.4576 137.342 166.221 118.824 166.22 75.216 GPRESSURE: 3661800 -261.914 61.4838 89.5689 30.235 110.136 190.783 178.739 133.757 111.198 PRESSAVG: 3661800 -34.2576 59.4009 16.5318 59.4007 -16.5425 31.7999 16.5318 31.7998 44.2834 GPRESSAVG: 3661800 -34.8918 61.6328 17.2833 58.5331 -16.1779 32.7177 16.3504 32.6186 45.2654 TIMING: 3661800 CPU: 10894.5, 0.00294878/step Wall: 10894.5, 0.00294878/step, 1.09613 hours remaining, 208.992188 MB of memory in use. ENERGY: 3661800 762.7111 2076.0367 1930.4890 107.3950 -206043.1522 17769.3348 0.0000 0.0000 34307.4675 -149089.7181 299.6156 -183397.1856 -148997.1500 299.4295 -45.1378 -13.5269 557864.5809 -2.1723 -1.9348 PRESSURE: 3662000 -86.6374 135.207 70.2029 135.207 27.489 89.3873 70.204 89.3866 41.9159 GPRESSURE: 3662000 -83.5521 197.195 131.428 81.0827 104.003 56.621 18.2299 128.147 64.7437 PRESSAVG: 3662000 -61.4673 24.6522 42.1519 24.6522 0.355247 32.5119 42.1519 32.512 46.8984 GPRESSAVG: 3662000 -62.1876 20.9107 42.9513 26.3948 1.11768 30.8146 41.8849 34.2875 46.5586 TIMING: 3662000 CPU: 10895.1, 0.00296134/step Wall: 10895.1, 0.00296134/step, 1.10063 hours remaining, 208.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3662000 722.5119 2077.6546 1929.6202 104.1192 -206194.7379 17912.8706 0.0000 0.0000 34311.5708 -149136.3905 299.6515 -183447.9613 -149035.7932 299.5089 -5.7442 28.3981 558530.8502 -4.7379 -4.8371 PRESSURE: 3662200 150.152 2.37968 3.08287 2.37952 -152.499 -49.2341 3.0834 -49.2332 -234.387 GPRESSURE: 3662200 116.942 47.3283 16.9672 -76.1436 -83.6039 -49.8581 -22.5415 -106.488 -175.37 PRESSAVG: 3662200 37.3506 31.9217 -36.4665 31.9217 -9.02444 23.4368 -36.4665 23.4369 -35.2464 GPRESSAVG: 3662200 38.265 33.7695 -36.4961 30.9313 -8.58428 23.1593 -36.3628 21.9868 -36.7527 TIMING: 3662200 CPU: 10895.7, 0.00295601/step Wall: 10895.7, 0.00295601/step, 1.09848 hours remaining, 208.992188 MB of memory in use. ENERGY: 3662200 775.6902 2108.8399 1918.0257 105.0594 -206248.0200 17849.0955 0.0000 0.0000 34538.7379 -148952.5714 301.6354 -183491.3093 -148865.3584 299.7042 -78.9113 -47.3438 559362.3248 -2.3068 -2.3573 PRESSURE: 3662400 -115.849 118.988 67.2738 118.987 -329.617 109.136 67.2736 109.137 -67.0951 GPRESSURE: 3662400 -55.3849 88.5088 18.3846 38.0678 -309.147 42.9452 62.6505 187.478 -53.0604 PRESSAVG: 3662400 17.9673 1.15083 42.9453 1.15085 3.44331 -7.39788 42.9454 -7.39785 0.210355 GPRESSAVG: 3662400 17.0619 2.71245 40.3033 -1.09596 2.31681 -6.78427 44.5219 -8.6399 2.19601 TIMING: 3662400 CPU: 10896.3, 0.00293649/step Wall: 10896.3, 0.00293649/step, 1.09107 hours remaining, 208.992188 MB of memory in use. ENERGY: 3662400 729.9404 2095.7448 1969.7766 119.9010 -205386.5782 17270.0870 0.0000 0.0000 34252.0303 -148949.0982 299.1315 -183201.1285 -148848.8796 300.6376 -170.8537 -139.1976 558880.4194 7.2070 7.1916 PRESSURE: 3662600 -264.603 16.3804 -101.45 16.3794 -209.614 -265.73 -101.449 -265.729 -68.9189 GPRESSURE: 3662600 -252.211 107.113 -117.866 -64.6983 -186.794 -214.283 -89.9721 -204.232 -23.3208 PRESSAVG: 3662600 -22.9642 41.5641 20.4254 41.5641 -7.99995 -13.0851 20.4255 -13.0852 -12.7999 GPRESSAVG: 3662600 -22.7865 40.4645 23.6052 44.6487 -7.24288 -13.3142 18.7343 -11.2497 -13.6954 TIMING: 3662600 CPU: 10896.8, 0.00293947/step Wall: 10896.8, 0.00293947/step, 1.09201 hours remaining, 208.992188 MB of memory in use. ENERGY: 3662600 779.3263 2110.8585 1939.9124 124.1932 -205759.3409 17524.6893 0.0000 0.0000 34321.4338 -148958.9274 299.7376 -183280.3613 -148860.1680 300.5279 -181.0454 -154.1086 559616.6713 -14.5880 -14.5749 PRESSURE: 3662800 -90.6919 -40.9381 -186.695 -40.9393 56.3417 189.045 -186.695 189.048 -190.584 GPRESSURE: 3662800 -12.5758 -94.6957 -153.434 11.4308 32.7206 96.1221 -181.839 133.524 -149.799 PRESSAVG: 3662800 10.1709 1.8272 -0.878273 1.82726 33.3523 -14.1168 -0.878177 -14.1167 -14.2238 GPRESSAVG: 3662800 9.96971 0.158426 -2.41539 2.04813 32.52 -15.5064 -0.343738 -14.9532 -13.3049 TIMING: 3662800 CPU: 10897.4, 0.00292411/step Wall: 10897.4, 0.00292411/step, 1.08614 hours remaining, 208.992188 MB of memory in use. ENERGY: 3662800 811.3843 2054.2972 1938.0697 101.2904 -206191.1425 17760.1281 0.0000 0.0000 34245.3650 -149280.6079 299.0733 -183525.9729 -149179.9318 300.0227 -74.9782 -43.2179 557099.0527 9.7665 9.7283 PRESSURE: 3663000 41.507 12.1829 41.6465 12.1833 325.914 -267.361 41.6455 -267.359 252.71 GPRESSURE: 3663000 70.5795 -39.4723 64.6756 30.5836 394.284 -157.467 53.5358 -277.4 260.956 PRESSAVG: 3663000 -55.3974 -0.0415161 -16.9548 -0.0415376 28.9771 10.5408 -16.9548 10.5407 16.4205 GPRESSAVG: 3663000 -55.9827 0.198803 -16.581 -0.96843 28.8616 12.9897 -17.0303 9.71029 16.6788 TIMING: 3663000 CPU: 10898, 0.00292311/step Wall: 10898, 0.00292311/step, 1.08561 hours remaining, 208.992188 MB of memory in use. ENERGY: 3663000 729.1429 2099.6826 1943.2857 113.2092 -206427.3835 18089.7042 0.0000 0.0000 34421.6279 -149030.7310 300.6126 -183452.3589 -148933.4053 300.3712 206.7103 241.9399 558763.1128 -3.3333 -3.4808 PRESSURE: 3663200 -98.0859 32.1412 -167.266 32.1428 112.644 33.7124 -167.265 33.7127 -89.4133 GPRESSURE: 3663200 -61.7439 79.1991 -116.817 33.3002 139.753 31.43 -243.939 101.69 -58.1246 PRESSAVG: 3663200 -65.8444 -1.92998 24.7725 -1.93005 56.4387 -30.6509 24.7725 -30.651 -13.028 GPRESSAVG: 3663200 -64.2042 -1.71326 25.0911 -2.54478 55.6403 -29.8986 24.5169 -31.4642 -14.2285 TIMING: 3663200 CPU: 10898.6, 0.00293585/step Wall: 10898.6, 0.00293585/step, 1.09018 hours remaining, 208.992188 MB of memory in use. ENERGY: 3663200 724.5216 2109.3665 1916.4078 99.8812 -206181.8549 17843.4333 0.0000 0.0000 34422.9191 -149065.3255 300.6239 -183488.2446 -148975.0682 300.0821 -24.9517 6.6282 557120.4381 -7.4779 -7.5975 PRESSURE: 3663400 -52.805 -67.7704 28.172 -67.7697 154.584 101.341 28.1718 101.34 -118.401 GPRESSURE: 3663400 -25.8028 -34.0786 -21.6681 -122.548 190.585 146.336 22.8217 73.2897 -85.7882 PRESSAVG: 3663400 13.7421 -11.0991 25.7487 -11.0991 46.3567 -13.127 25.7487 -13.1269 -85.6744 GPRESSAVG: 3663400 11.9677 -9.47898 24.5962 -10.8755 47.6247 -15.9793 25.2032 -10.822 -84.9859 TIMING: 3663400 CPU: 10899.2, 0.00294595/step Wall: 10899.2, 0.00294595/step, 1.09377 hours remaining, 208.992188 MB of memory in use. ENERGY: 3663400 764.9579 2085.7558 1927.7837 124.0191 -206024.2309 17778.0486 0.0000 0.0000 34275.2283 -149068.4377 299.3341 -183343.6660 -148976.8195 299.8527 -5.5409 26.3314 557353.6500 -8.5252 -8.4645 PRESSURE: 3663600 284.434 42.1575 -102.472 42.1581 -193.48 180.725 -102.472 180.725 55.7139 GPRESSURE: 3663600 325.637 26.5327 -70.5514 33.9033 -179.966 135.446 -88.0726 209.12 100.525 PRESSAVG: 3663600 -29.6722 -45.1798 -6.8535 -45.1797 20.5626 3.76109 -6.85341 3.76115 19.7954 GPRESSAVG: 3663600 -28.9705 -48.1139 -6.21837 -43.7367 19.9151 5.70261 -6.27424 2.95482 19.4978 TIMING: 3663600 CPU: 10899.8, 0.002945/step Wall: 10899.8, 0.002945/step, 1.09325 hours remaining, 208.992188 MB of memory in use. ENERGY: 3663600 734.8179 2087.3045 1959.6674 121.7081 -206256.1865 17974.5840 0.0000 0.0000 34310.7036 -149067.4010 299.6439 -183378.1045 -148974.1204 299.8474 48.8894 82.0654 557673.6546 3.5619 3.4808 PRESSURE: 3663800 209.278 181.61 38.4575 181.61 86.0305 85.6062 38.4561 85.6041 64.0571 GPRESSURE: 3663800 220.468 119.831 -43.0422 80.4851 130.383 90.7162 78.1075 -21.7012 110.947 PRESSAVG: 3663800 47.4535 -8.96368 -13.82 -8.96364 -6.10904 46.8356 -13.82 46.8356 -68.6397 GPRESSAVG: 3663800 47.5642 -7.26873 -12.9267 -10.8139 -5.05898 48.1425 -13.1061 46.2151 -69.2756 TIMING: 3663800 CPU: 10900.4, 0.00294705/step Wall: 10900.4, 0.00294705/step, 1.09385 hours remaining, 208.992188 MB of memory in use. ENERGY: 3663800 768.0432 2094.8117 1926.3689 103.4792 -206134.1778 17989.9807 0.0000 0.0000 34251.7174 -148999.7767 299.1288 -183251.4941 -148908.7075 299.6093 119.7886 153.9323 557580.4540 -9.0984 -8.9235 PRESSURE: 3664000 -58.9334 -48.8129 -90.0981 -48.8137 -247.71 -16.9514 -90.0995 -16.9523 -138.442 GPRESSURE: 3664000 -66.2557 -76.618 -140.681 -72.9876 -193.602 55.8328 -56.6149 41.6725 -94.3764 PRESSAVG: 3664000 9.88283 -25.5423 17.3929 -25.5423 26.4848 10.2534 17.3928 10.2535 -33.5196 GPRESSAVG: 3664000 9.42061 -24.3691 15.3542 -25.3152 26.077 8.73619 17.3051 12.1897 -32.5913 TIMING: 3664000 CPU: 10901, 0.00294289/step Wall: 10901, 0.00294289/step, 1.09214 hours remaining, 208.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3664000 775.1893 2102.3492 1951.4508 106.8163 -205650.7183 17496.4296 0.0000 0.0000 34245.2502 -148973.2329 299.0723 -183218.4832 -148870.3367 299.5693 -148.3617 -118.0779 558079.6775 0.9493 0.9688 PRESSURE: 3664200 219.687 -173.101 137.206 -173.102 88.0329 39.587 137.206 39.5873 161.224 GPRESSURE: 3664200 231.992 -175.15 132.021 -243.041 115.484 83.9486 150.005 59.6036 221.612 PRESSAVG: 3664200 36.7861 -48.1233 33.8414 -48.1233 -53.4016 -7.04688 33.8414 -7.04663 21.1029 GPRESSAVG: 3664200 36.5175 -49.2678 36.5036 -46.7243 -53.4913 -7.43363 32.2486 -7.55548 21.0453 TIMING: 3664200 CPU: 10901.5, 0.00294407/step Wall: 10901.5, 0.00294407/step, 1.09241 hours remaining, 208.992188 MB of memory in use. ENERGY: 3664200 728.2014 2077.7031 1965.0617 121.4750 -206465.4488 18132.2923 0.0000 0.0000 34386.5268 -149054.1885 300.3061 -183440.7153 -148951.9939 299.6814 156.3148 189.6964 557443.8283 1.4958 1.3572 LDB: ============= START OF LOAD BALANCING ============== 10905.1 LDB: ============== END OF LOAD BALANCING =============== 10905.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10905.1 LDB: ============= START OF LOAD BALANCING ============== 10905.4 LDB: Largest compute 4796 load 0.023898 is 20.2% of average load 0.118212 LDB: Average compute 0.001728 is 1.5% of average load 0.118212 LDB: TIME 10905.4 LOAD: AVG 0.118212 MAX 0.192911 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.273 MB LDB: TIME 10905.4 LOAD: AVG 0.118212 MAX 0.192911 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.289 MB LDB: TIME 10905.4 LOAD: AVG 0.118212 MAX 0.192911 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.289 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10905.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10905.4 PRESSURE: 3664400 38.7802 -86.4999 -149.77 -86.5001 -107.039 -67.6014 -149.768 -67.6003 -17.0743 GPRESSURE: 3664400 19.9657 -94.792 -123.913 -68.3812 -88.4545 -79.854 -85.0707 -48.2861 68.1826 PRESSAVG: 3664400 90.5793 -45.376 -10.552 -45.376 46.3557 24.9473 -10.5518 24.9475 -134.123 GPRESSAVG: 3664400 91.5576 -44.3835 -11.8634 -46.5571 45.0801 24.8729 -10.7534 23.9702 -133.836 TIMING: 3664400 CPU: 10902.1, 0.00295937/step Wall: 10902.1, 0.00295937/step, 1.09793 hours remaining, 207.535156 MB of memory in use. ENERGY: 3664400 760.9132 2114.8420 1958.8564 122.0442 -206218.3456 17906.7216 0.0000 0.0000 34226.9052 -149128.0631 298.9121 -183354.9683 -149033.0942 299.6478 -28.4444 -0.1021 557463.5963 0.9375 0.9339 PRESSURE: 3664600 8.29768 -78.9107 -3.12177 -78.9114 -185.652 68.1223 -3.12342 68.1218 -62.0902 GPRESSURE: 3664600 34.6858 -74.53 20.2061 -70.7886 -161.509 54.4827 -6.89388 28.0447 -9.24904 PRESSAVG: 3664600 25.9395 -4.53782 0.180753 -4.53785 17.1574 -32.6649 0.180777 -32.665 14.8414 GPRESSAVG: 3664600 25.5444 -6.81651 1.00611 -3.17112 18.0088 -32.4879 -0.01561 -32.6879 14.3447 TIMING: 3664600 CPU: 10902.7, 0.00292052/step Wall: 10902.7, 0.00292052/step, 1.08335 hours remaining, 207.535156 MB of memory in use. ENERGY: 3664600 728.7968 2085.0331 1961.7649 102.9290 -206172.9561 17688.3950 0.0000 0.0000 34396.4465 -149209.5908 300.3927 -183606.0373 -149110.5637 299.8218 -79.8148 -45.3575 557420.0014 19.3128 19.2993 PRESSURE: 3664800 -184.162 -180.911 -76.7995 -180.913 126.998 233.204 -76.7998 233.205 -3.2782 GPRESSURE: 3664800 -166.958 -213.104 -83.2449 -135.565 151.477 187.195 -112.832 262.965 60.1562 PRESSAVG: 3664800 -6.54378 10.5031 -32.5177 10.5032 0.666892 24.208 -32.5177 24.2079 -0.703003 GPRESSAVG: 3664800 -6.57326 12.2091 -35.0237 7.76439 0.364026 23.8191 -32.1342 23.4653 -0.453061 TIMING: 3664800 CPU: 10903.3, 0.00293452/step Wall: 10903.3, 0.00293452/step, 1.08838 hours remaining, 207.535156 MB of memory in use. ENERGY: 3664800 730.5070 2065.8204 1953.3143 113.0718 -206089.8600 17644.2707 0.0000 0.0000 34350.2841 -149232.5915 299.9896 -183582.8757 -149128.8715 299.7219 -20.1476 14.8916 556951.4408 -2.1933 -2.2208 PRESSURE: 3665000 200.341 8.06055 -0.83868 8.05912 29.802 -161.213 -0.837789 -161.214 28.9014 GPRESSURE: 3665000 198.059 52.4511 -15.5303 6.71447 -8.16799 -106.916 35.9485 -159.658 163.376 PRESSAVG: 3665000 -32.2326 -44.3091 42.8198 -44.3091 5.5561 36.7806 42.8198 36.7805 48.8864 GPRESSAVG: 3665000 -32.806 -44.9021 44.7713 -41.5534 5.52529 36.8859 43.1982 36.6954 49.3407 TIMING: 3665000 CPU: 10903.9, 0.00292122/step Wall: 10903.9, 0.00292122/step, 1.08328 hours remaining, 207.535156 MB of memory in use. ENERGY: 3665000 719.4100 2064.1414 1950.4261 111.7895 -206509.8386 17944.0905 0.0000 0.0000 34546.4591 -149173.5222 301.7028 -183719.9813 -149073.2925 299.6369 86.3480 117.7555 557479.2582 7.4033 7.3534 PRESSURE: 3665200 -255.575 82.7837 -116.817 82.7845 -30.1607 60.2382 -116.818 60.2387 -90.9065 GPRESSURE: 3665200 -199.32 110.197 -98.1272 68.708 -14.4402 130.839 -130.071 -24.9604 -69.1869 PRESSAVG: 3665200 44.0042 52.9759 -6.11092 52.9758 9.62622 68.3469 -6.1109 68.3468 -20.0837 GPRESSAVG: 3665200 44.4493 50.9822 -6.29032 52.5988 9.66044 68.85 -6.20896 69.0049 -20.6773 TIMING: 3665200 CPU: 10904.5, 0.00295/step Wall: 10904.5, 0.00294999/step, 1.09379 hours remaining, 207.535156 MB of memory in use. ENERGY: 3665200 756.0679 2028.1044 1951.2222 109.4434 -206498.2666 17744.3936 0.0000 0.0000 34496.8021 -149412.2331 301.2692 -183909.0352 -149302.3162 298.8310 -125.5473 -94.3158 557010.9396 11.1822 11.1441 PRESSURE: 3665400 -53.1617 -20.5124 17.1414 -20.512 -221.865 -120.34 17.1408 -120.34 -315.378 GPRESSURE: 3665400 -35.449 -34.17 -7.33333 85.8027 -180.229 -130.61 11.5729 -81.2323 -281.545 PRESSAVG: 3665400 38.3014 15.1516 13.9139 15.1516 -80.0234 14.5464 13.9139 14.5463 42.4661 GPRESSAVG: 3665400 38.6712 16.099 14.193 14.02 -78.9649 13.454 14.2411 14.1189 41.1745 TIMING: 3665400 CPU: 10905.1, 0.00295718/step Wall: 10905.1, 0.00295718/step, 1.09629 hours remaining, 207.535156 MB of memory in use. ENERGY: 3665400 747.4525 2084.3900 1931.4660 113.6870 -205500.4512 17370.3588 0.0000 0.0000 34064.3846 -149188.7123 297.4927 -183253.0969 -149086.2098 299.0436 -196.8014 -165.7412 558615.5472 0.2480 0.2936 PRESSURE: 3665600 174.665 43.8653 -113.694 43.865 -31.3176 -12.4116 -113.693 -12.4125 19.3642 GPRESSURE: 3665600 181.587 64.8289 -120.938 11.2053 49.3131 -23.2292 -61.9907 -141.291 29.5222 PRESSAVG: 3665600 63.5356 20.4244 -10.0561 20.4244 -36.9758 -8.4362 -10.0561 -8.43617 -24.1622 GPRESSAVG: 3665600 62.4047 21.37 -11.4123 21.2459 -38.2299 -6.76732 -9.41438 -9.55495 -21.5179 TIMING: 3665600 CPU: 10905.7, 0.00293987/step Wall: 10905.7, 0.00293987/step, 1.08971 hours remaining, 207.535156 MB of memory in use. ENERGY: 3665600 757.3507 2033.9550 1957.0476 110.9548 -206168.2083 17816.7742 0.0000 0.0000 34509.1023 -148983.0238 301.3766 -183492.1261 -148880.2785 299.9964 54.2371 86.8073 557167.7597 0.7992 0.8857 PRESSURE: 3665800 -4.1631 83.4184 -212.506 83.4191 -202.026 19.6319 -212.506 19.631 5.56027 GPRESSURE: 3665800 31.2974 56.7485 -261.339 122.255 -106.804 42.8193 -116.045 -39.6892 -29.7929 PRESSAVG: 3665800 55.5055 -4.83976 -14.5612 -4.83974 -46.9773 -7.71028 -14.5612 -7.71034 -20.9491 GPRESSAVG: 3665800 56.3662 -5.46564 -14.3712 -5.94612 -46.1451 -10.3356 -15.3305 -5.75609 -22.3452 TIMING: 3665800 CPU: 10906.2, 0.0029382/step Wall: 10906.2, 0.0029382/step, 1.08893 hours remaining, 207.535156 MB of memory in use. ENERGY: 3665800 730.4048 2067.6044 1932.7079 110.2549 -205641.6353 17527.9802 0.0000 0.0000 34263.9400 -149008.7430 299.2355 -183272.6830 -148915.5222 300.1763 -66.8763 -35.0997 557757.2875 -4.1403 -4.0413 PRESSURE: 3666000 -231.786 43.8535 91.0799 43.8537 -56.1092 -64.1412 91.0783 -64.1413 -98.9527 GPRESSURE: 3666000 -159.456 6.68102 64.9371 -8.29795 -38.182 -178.873 57.9779 16.3754 -91.3015 PRESSAVG: 3666000 -33.4513 -57.5008 -21.7215 -57.5007 63.2901 -32.804 -21.7214 -32.8039 -1.03782 GPRESSAVG: 3666000 -32.6585 -57.113 -21.7988 -57.0177 62.5144 -30.5059 -23.2792 -33.4154 -0.836918 TIMING: 3666000 CPU: 10906.8, 0.00293819/step Wall: 10906.8, 0.00293819/step, 1.08876 hours remaining, 207.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3666000 765.5644 2076.0895 1915.6831 112.9262 -205479.6547 17433.5709 0.0000 0.0000 34118.4505 -149057.3701 297.9649 -183175.8206 -148958.8196 299.5914 -128.9492 -96.3132 556780.4546 9.6003 9.6730 PRESSURE: 3666200 -68.833 150.794 122.121 150.793 -58.8373 -113.961 122.121 -113.959 80.8424 GPRESSURE: 3666200 6.66776 239.81 33.6949 114.853 -62.9424 -200.132 51.5913 -46.4162 107.383 PRESSAVG: 3666200 13.0562 -48.6718 -2.495 -48.6719 8.94538 -16.642 -2.49512 -16.642 -35.9715 GPRESSAVG: 3666200 10.4465 -49.2588 -3.05771 -47.1145 10.9596 -18.3333 -1.84634 -16.319 -35.7323 TIMING: 3666200 CPU: 10907.4, 0.00292895/step Wall: 10907.4, 0.00292895/step, 1.08518 hours remaining, 207.535156 MB of memory in use. ENERGY: 3666200 759.2565 2089.7071 1899.2316 113.6021 -205735.8489 17452.9466 0.0000 0.0000 34213.4893 -149207.6158 298.7949 -183421.1051 -149112.4141 299.3453 -15.6093 17.0360 557333.0244 -4.6566 -4.7754 PRESSURE: 3666400 389.212 14.2684 80.6735 14.2694 32.8039 31.8036 80.6727 31.8036 90.4486 GPRESSURE: 3666400 441.901 -86.3105 197.789 84.704 76.2593 -39.1833 46.673 55.199 85.3734 PRESSAVG: 3666400 26.6897 7.95035 51.326 7.95033 -3.35721 -20.6351 51.3259 -20.6352 -33.2899 GPRESSAVG: 3666400 28.1625 8.51383 52.1097 7.27986 -4.89991 -20.2731 53.1374 -20.5318 -33.1695 TIMING: 3666400 CPU: 10908, 0.00292712/step Wall: 10908, 0.00292712/step, 1.08433 hours remaining, 207.535156 MB of memory in use. ENERGY: 3666400 710.2608 2096.9646 1925.0298 115.4580 -206356.7533 17959.3481 0.0000 0.0000 34274.6815 -149275.0105 299.3293 -183549.6919 -149181.0378 299.0655 170.8215 201.1779 555135.9655 -3.3191 -3.3023 PRESSURE: 3666600 61.4874 80.8493 142.849 80.8499 -252.771 -101.583 142.85 -101.583 -29.3932 GPRESSURE: 3666600 147.753 9.98253 89.3153 123.737 -229.727 -83.7086 241.24 -80.772 -30.6182 PRESSAVG: 3666600 53.2445 -14.6847 20.593 -14.6848 -15.077 -12.7228 20.593 -12.7229 -38.2754 GPRESSAVG: 3666600 54.4127 -16.1303 20.8735 -13.1506 -14.6284 -11.1519 18.0905 -14.2464 -39.1933 TIMING: 3666600 CPU: 10908.6, 0.00295203/step Wall: 10908.6, 0.00295203/step, 1.0934 hours remaining, 207.535156 MB of memory in use. ENERGY: 3666600 738.6562 2121.4584 1927.6321 107.9329 -206144.1825 17584.2669 0.0000 0.0000 34341.5412 -149322.6947 299.9132 -183664.2359 -149230.4695 299.2826 -73.5590 -37.5307 555952.0549 -0.0360 0.1970 PRESSURE: 3666800 62.6524 -69.2755 94.3026 -69.2761 82.2069 -171.2 94.3021 -171.2 -92.7219 GPRESSURE: 3666800 135.013 -80.1489 49.1122 1.30955 85.7373 -63.1504 41.1805 -216.714 -91.0454 PRESSAVG: 3666800 89.0591 -29.7383 18.3485 -29.7382 -14.9584 -1.7091 18.3485 -1.70911 -87.9278 GPRESSAVG: 3666800 88.4472 -28.0346 17.8931 -30.6142 -15.3934 -3.17558 18.0034 -1.92482 -86.9405 TIMING: 3666800 CPU: 10909.2, 0.00292946/step Wall: 10909.2, 0.00292946/step, 1.08488 hours remaining, 207.535156 MB of memory in use. ENERGY: 3666800 694.1776 2021.9264 1946.6201 115.7373 -206101.0443 17722.6274 0.0000 0.0000 34192.4643 -149407.4912 298.6113 -183599.9555 -149303.3212 299.0851 17.3791 43.2350 557664.4557 -4.6091 -4.6289 PRESSURE: 3667000 212.054 17.6392 -25.0117 17.6393 -119.383 32.1476 -25.0127 32.1485 -319.973 GPRESSURE: 3667000 260.111 10.6157 -66.2267 10.1893 -110.326 31.2682 17.1516 -8.7743 -271.378 PRESSAVG: 3667000 42.5419 -4.14471 9.56343 -4.14475 -21.0769 -97.2694 9.56333 -97.2692 5.12154 GPRESSAVG: 3667000 41.5917 -5.16224 9.99108 -2.61336 -19.6795 -97.4675 8.7652 -97.5932 5.22254 TIMING: 3667000 CPU: 10909.8, 0.00293418/step Wall: 10909.8, 0.00293418/step, 1.08646 hours remaining, 207.535156 MB of memory in use. ENERGY: 3667000 741.5401 2052.2752 1940.6897 112.6040 -206395.8918 17885.5053 0.0000 0.0000 34165.4978 -149497.7798 298.3758 -183663.2776 -149399.1245 298.7326 -75.7671 -40.5312 557363.9233 8.8622 9.0449 PRESSURE: 3667200 -201.006 6.16886 14.8058 6.16762 -180.634 -48.7881 14.8061 -48.7887 -164.458 GPRESSURE: 3667200 -135.177 -8.23088 -2.47059 66.4419 -134.637 -82.5412 26.5723 -117.719 -189.998 PRESSAVG: 3667200 6.94405 -15.9757 23.8846 -15.9758 41.8623 -10.1152 23.8846 -10.1153 -52.5982 GPRESSAVG: 3667200 8.16161 -15.255 25.1752 -17.9576 41.6874 -8.971 22.6768 -8.94123 -53.3569 TIMING: 3667200 CPU: 10910.4, 0.00294006/step Wall: 10910.4, 0.00294006/step, 1.08848 hours remaining, 207.535156 MB of memory in use. ENERGY: 3667200 757.8080 2033.7388 1919.3520 105.2591 -206116.1377 17518.8968 0.0000 0.0000 34072.3523 -149708.7308 297.5623 -183781.0831 -149608.6954 298.6617 -182.0326 -153.2707 557226.9577 -1.2640 -1.1693 PRESSURE: 3667400 59.0451 57.9183 61.42 57.9191 15.6558 -115.331 61.4204 -115.332 53.414 GPRESSURE: 3667400 86.7848 45.3992 7.30744 86.2471 53.7889 -10.4605 73.6671 -167.267 95.7431 PRESSAVG: 3667400 -5.98339 -60.1291 14.7143 -60.1291 -0.196545 -22.1113 14.7142 -22.1114 -7.83125 GPRESSAVG: 3667400 -6.77904 -58.2056 12.2039 -61.8796 0.54226 -23.3452 18.4784 -22.1149 -7.41102 TIMING: 3667400 CPU: 10910.9, 0.002931/step Wall: 10910.9, 0.002931/step, 1.08496 hours remaining, 207.535156 MB of memory in use. ENERGY: 3667400 769.6876 2042.9662 1952.8095 105.9146 -206691.4563 17994.1315 0.0000 0.0000 34283.4237 -149542.5233 299.4057 -183825.9469 -149446.3803 298.3702 42.7049 78.7723 555694.5012 -4.6704 -4.5493 PRESSURE: 3667600 -51.6482 -110.088 -153.745 -110.09 -294.318 318.951 -153.745 318.951 -30.2781 GPRESSURE: 3667600 22.8326 -108.763 -180.169 -184.604 -231.605 293.439 -148.35 316.176 -53.527 PRESSAVG: 3667600 51.4745 -21.6228 -19.8316 -21.6228 -16.0672 6.75186 -19.8316 6.75192 -1.53679 GPRESSAVG: 3667600 52.5679 -23.3311 -18.9513 -20.2227 -16.7108 7.9318 -21.9115 5.5306 -2.08062 TIMING: 3667600 CPU: 10911.5, 0.00292908/step Wall: 10911.5, 0.00292908/step, 1.08409 hours remaining, 207.535156 MB of memory in use. ENERGY: 3667600 792.8910 2043.5265 1960.7438 119.6421 -206429.3270 17855.7740 0.0000 0.0000 33984.0436 -149672.7060 296.7911 -183656.7496 -149581.7622 298.3465 -125.4148 -87.4332 557665.2258 11.2902 11.2588 PRESSURE: 3667800 -174.991 30.2139 -50.519 30.2146 -139.126 -5.55625 -50.5193 -5.55658 -161.172 GPRESSURE: 3667800 -102.848 28.4925 -50.607 50.116 -135.864 7.03973 -18.4255 -11.5782 -141.021 PRESSAVG: 3667800 29.4158 -2.31335 -80.1369 -2.31342 -26.8724 49.0552 -80.137 49.0551 -1.33138 GPRESSAVG: 3667800 28.014 -0.956099 -80.2347 -2.47887 -27.2465 47.4191 -80.6782 49.0434 0.0442256 TIMING: 3667800 CPU: 10912.1, 0.00291815/step Wall: 10912.1, 0.00291815/step, 1.07988 hours remaining, 207.535156 MB of memory in use. ENERGY: 3667800 727.6941 2047.7665 1923.2320 115.7534 -206042.4761 17665.4042 0.0000 0.0000 34013.6000 -149549.0260 297.0492 -183562.6260 -149455.2624 298.2772 -158.4297 -126.5776 559205.3153 0.4040 0.2706 PRESSURE: 3668000 -103.412 12.4927 -241.663 12.4932 234.373 -92.011 -241.663 -92.0106 153.624 GPRESSURE: 3668000 -32.4418 13.8658 -269.822 36.2524 231.027 -73.8705 -148.738 -88.6914 178.175 PRESSAVG: 3668000 85.7759 34.7847 -61.0537 34.7846 -61.3476 -1.90203 -61.0537 -1.90206 -29.0812 GPRESSAVG: 3668000 86.3451 32.7198 -62.7827 35.7253 -61.8151 -0.915792 -58.8836 -2.11147 -29.358 TIMING: 3668000 CPU: 10912.7, 0.00291913/step Wall: 10912.7, 0.00291913/step, 1.08008 hours remaining, 207.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3668000 737.6993 2040.8482 1937.5155 121.5656 -206511.0498 17909.7857 0.0000 0.0000 34389.2538 -149374.3817 300.3299 -183763.6355 -149282.2043 298.7282 94.8615 125.5867 556705.1098 -1.5510 -1.6093 PRESSURE: 3668200 103.037 10.3747 -16.9576 10.3756 -31.4581 9.5029 -16.9584 9.50325 35.1163 GPRESSURE: 3668200 153.965 31.9664 36.6133 75.3238 -27.0242 -44.4106 -52.0329 52.826 74.6978 PRESSAVG: 3668200 -88.0068 -48.7078 -67.3441 -48.7078 47.6523 -21.8863 -67.3441 -21.8864 7.00358 GPRESSAVG: 3668200 -86.5079 -46.3487 -64.9423 -49.8834 47.3801 -21.8003 -67.4492 -21.3802 6.08269 TIMING: 3668200 CPU: 10913.3, 0.00294132/step Wall: 10913.3, 0.00294132/step, 1.08812 hours remaining, 207.535156 MB of memory in use. ENERGY: 3668200 702.8425 2114.6821 1943.7075 122.9379 -206187.4960 17764.0945 0.0000 0.0000 34112.6053 -149426.6261 297.9139 -183539.2314 -149324.7369 298.6434 35.5652 67.2129 558618.7261 -11.1169 -11.0150 LDB: ============= START OF LOAD BALANCING ============== 10916.8 LDB: ============== END OF LOAD BALANCING =============== 10916.8 LDB: =============== DONE WITH MIGRATION ================ 10916.8 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 10917.1 LDB: Largest compute 4796 load 0.025210 is 21.3% of average load 0.118230 LDB: Average compute 0.001732 is 1.5% of average load 0.118230 LDB: TIME 10917.1 LOAD: AVG 0.11823 MAX 0.196581 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.508 MB LDB: TIME 10917.1 LOAD: AVG 0.11823 MAX 0.196581 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: TIME 10917.1 LOAD: AVG 0.11823 MAX 0.196581 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: ============== END OF LOAD BALANCING =============== 10917.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10917.1 PRESSURE: 3668400 -169.24 56.4815 -58.1304 56.4829 18.0644 54.4124 -58.1311 54.4104 -240.425 GPRESSURE: 3668400 -103.186 33.4649 -44.7876 111.284 28.9192 57.9845 13.5635 71.6844 -217.284 PRESSAVG: 3668400 -56.9487 -20.824 -25.3061 -20.8239 60.3535 -20.8053 -25.3061 -20.8055 -4.72714 GPRESSAVG: 3668400 -56.7879 -21.9277 -26.8107 -20.4959 61.5678 -22.2394 -26.4535 -22.2801 -5.78264 TIMING: 3668400 CPU: 10913.9, 0.00299461/step Wall: 10913.9, 0.00299461/step, 1.10767 hours remaining, 207.750000 MB of memory in use. ENERGY: 3668400 775.8346 2075.2313 1943.0382 120.1001 -206168.8224 17765.9502 0.0000 0.0000 34085.6019 -149403.0660 297.6780 -183488.6679 -149309.0272 298.8431 -130.5333 -97.1833 559698.9268 -0.4408 -0.3342 PRESSURE: 3668600 9.46197 18.1685 6.91997 18.1684 -43.6008 248.915 6.91969 248.916 116.166 GPRESSURE: 3668600 24.2529 -96.3241 21.7872 18.3172 -26.7473 152.424 36.5213 285.833 173.901 PRESSAVG: 3668600 34.8099 -17.8624 1.29797 -17.8624 12.8621 39.7676 1.29806 39.7677 -64.0531 GPRESSAVG: 3668600 33.772 -18.4714 2.27242 -17.775 12.3238 41.8737 0.992228 40.5308 -62.8687 TIMING: 3668600 CPU: 10914.5, 0.00291907/step Wall: 10914.5, 0.00291907/step, 1.07957 hours remaining, 207.988281 MB of memory in use. ENERGY: 3668600 761.3101 2033.7993 1925.3584 119.4979 -206448.2454 17974.3222 0.0000 0.0000 34176.7272 -149457.2303 298.4739 -183633.9574 -149367.1503 298.2865 27.3423 57.1356 557149.1759 -5.4604 -5.5910 PRESSURE: 3668800 189.326 49.4724 29.7612 49.4729 112.652 -64.8749 29.7614 -64.8748 115.254 GPRESSURE: 3668800 214.731 29.996 43.1572 -30.3591 106.412 -119.562 77.3917 -39.2487 193.235 PRESSAVG: 3668800 63.5206 6.15268 0.0822824 6.1527 18.9342 -36.8894 0.0822618 -36.8895 -33.4974 GPRESSAVG: 3668800 62.5199 6.80373 0.266746 6.1456 19.8713 -35.7467 -0.504673 -38.4028 -33.3765 TIMING: 3668800 CPU: 10915.1, 0.0029224/step Wall: 10915.1, 0.0029224/step, 1.08064 hours remaining, 207.988281 MB of memory in use. ENERGY: 3668800 748.8835 2062.8650 1942.9073 124.3761 -206741.4550 18147.1160 0.0000 0.0000 34160.0974 -149555.2097 298.3286 -183715.3071 -149457.6905 298.5719 139.0775 171.4594 558673.6351 16.3191 16.3382 PRESSURE: 3669000 -203.228 202.87 -31.8233 202.869 -155.59 159.478 -31.8237 159.477 -161.391 GPRESSURE: 3669000 -168.15 136.123 -80.7523 164.602 -128.931 202.371 18.8491 114.2 -120.947 PRESSAVG: 3669000 13.0544 31.7449 7.42693 31.7448 -14.4665 -36.8385 7.42685 -36.8385 -7.27068 GPRESSAVG: 3669000 14.5562 31.0099 7.35793 31.2782 -15.6597 -39.1258 7.29796 -36.1808 -7.50399 TIMING: 3669000 CPU: 10915.6, 0.00293422/step Wall: 10915.6, 0.00293422/step, 1.08485 hours remaining, 207.988281 MB of memory in use. ENERGY: 3669000 764.7359 2126.9226 1969.1859 106.7044 -206614.2342 17840.1500 0.0000 0.0000 34291.6020 -149514.9334 299.4771 -183806.5354 -149426.1612 298.4155 -173.4027 -139.3427 558364.6744 -2.8943 -2.8692 PRESSURE: 3669200 -128.006 144.85 15.153 144.85 -47.2706 33.7292 15.154 33.7293 115.186 GPRESSURE: 3669200 -70.5485 140.903 22.8203 158.792 -37.6361 13.5959 -17.8795 21.8341 142.939 PRESSAVG: 3669200 11.8556 83.1426 -5.89038 83.1426 26.0195 11.1492 -5.89039 11.1493 -38.838 GPRESSAVG: 3669200 9.91726 85.976 -5.80372 81.1215 26.8964 12.148 -5.66207 9.95712 -38.5338 TIMING: 3669200 CPU: 10916.2, 0.00294537/step Wall: 10916.2, 0.00294537/step, 1.08881 hours remaining, 207.988281 MB of memory in use. ENERGY: 3669200 727.4821 2090.6006 1971.7915 111.4319 -206199.9092 17728.7647 0.0000 0.0000 34148.4599 -149421.3785 298.2270 -183569.8383 -149318.2356 298.7118 -20.0302 11.5849 558398.9512 -0.3209 -0.5734 PRESSURE: 3669400 -46.0903 -21.2491 47.1884 -21.2492 335.577 -46.6114 47.1897 -46.6108 -38.4103 GPRESSURE: 3669400 -2.80437 29.6516 71.7998 -106.331 374.082 -47.7654 5.54007 -136.254 -22.114 PRESSAVG: 3669400 39.3696 29.029 -28.7173 29.029 29.2603 -3.78738 -28.7172 -3.7874 -61.0396 GPRESSAVG: 3669400 39.9823 27.8628 -29.1006 31.3014 28.6595 -1.75795 -27.4492 -2.76069 -61.3994 TIMING: 3669400 CPU: 10916.8, 0.00292942/step Wall: 10916.8, 0.00292942/step, 1.08275 hours remaining, 207.988281 MB of memory in use. ENERGY: 3669400 749.4099 2084.4192 1935.1185 121.5824 -206700.2772 18056.8702 0.0000 0.0000 34240.0412 -149512.8359 299.0268 -183752.8771 -149419.3713 298.6719 83.6920 116.3878 557674.9786 2.5301 2.4142 PRESSURE: 3669600 76.4491 19.8334 -114.848 19.8341 13.8649 -58.4661 -114.849 -58.4677 10.1185 GPRESSURE: 3669600 231.213 49.8251 -65.8385 -27.0956 6.6332 -24.2403 -110.881 -81.7952 -30.0635 PRESSAVG: 3669600 49.8447 18.829 9.5345 18.8291 10.6648 19.5472 9.53449 19.5471 -65.4553 GPRESSAVG: 3669600 50.8279 19.4073 9.00899 18.1344 9.77938 17.2518 8.39433 21.1438 -66.3581 TIMING: 3669600 CPU: 10917.4, 0.0029357/step Wall: 10917.4, 0.0029357/step, 1.0849 hours remaining, 207.988281 MB of memory in use. ENERGY: 3669600 754.8443 2099.0388 1935.3796 106.0040 -206234.5512 17851.8305 0.0000 0.0000 33975.1879 -149512.2659 296.7138 -183487.4538 -149416.9266 298.2669 33.4775 69.2610 557739.7600 -1.6486 -1.9169 PRESSURE: 3669800 -77.1035 101.576 79.8905 101.575 129.747 2.28436 79.8894 2.28463 40.5199 GPRESSURE: 3669800 -64.6209 55.615 -58.0406 100.187 170.257 46.675 103.93 -47.5144 80.0486 PRESSAVG: 3669800 12.64 18.1686 -35.9227 18.1686 23.8937 15.933 -35.9227 15.9331 -34.3409 GPRESSAVG: 3669800 10.7167 17.9499 -37.1505 18.3946 24.9866 16.3964 -35.2186 15.4472 -33.6604 TIMING: 3669800 CPU: 10918, 0.00295945/step Wall: 10918, 0.00295945/step, 1.09352 hours remaining, 207.988281 MB of memory in use. ENERGY: 3669800 744.1737 2061.5140 1926.0691 112.0581 -206635.9098 18024.4792 0.0000 0.0000 34140.1800 -149627.4356 298.1547 -183767.6156 -149533.3740 298.2115 31.0544 61.8948 556461.5402 0.7310 0.6810 PRESSURE: 3670000 -206.8 24.1414 8.12351 24.1423 -101.509 -38.7332 8.1222 -38.7323 -292.155 GPRESSURE: 3670000 -170.363 -31.193 6.08817 42.3399 -45.0615 -134.983 -15.0393 -15.2381 -283.871 PRESSAVG: 3670000 -37.1851 -25.832 -34.8394 -25.832 23.7146 45.0867 -34.8393 45.0869 3.17923 GPRESSAVG: 3670000 -37.6148 -26.7347 -32.5054 -24.6677 23.0175 43.2293 -34.694 44.869 3.87341 TIMING: 3670000 CPU: 10918.6, 0.00296191/step Wall: 10918.6, 0.00296191/step, 1.09426 hours remaining, 207.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3670000 760.3937 2094.0158 1920.7137 113.9042 -206460.4416 17704.0113 0.0000 0.0000 34243.4288 -149623.9740 299.0564 -183867.4028 -149531.0024 297.9936 -200.1544 -166.4319 557800.7337 -3.4304 -3.5746 PRESSURE: 3670200 94.8609 37.865 27.7425 37.8664 122.491 -26.0724 27.7432 -26.0705 12.8877 GPRESSURE: 3670200 180.348 21.7764 -28.6647 59.8265 129.698 20.5704 41.7566 61.8467 25.866 PRESSAVG: 3670200 -36.6133 20.1746 34.4886 20.1747 15.4975 -38.6502 34.4886 -38.6502 -11.3792 GPRESSAVG: 3670200 -35.9133 18.6492 33.2619 20.7281 14.8593 -36.4764 32.7224 -39.0796 -11.7111 TIMING: 3670200 CPU: 10919.2, 0.00292665/step Wall: 10919.2, 0.00292665/step, 1.08107 hours remaining, 207.988281 MB of memory in use. ENERGY: 3670200 726.2591 2052.2535 1953.8556 114.7545 -206248.9458 17902.5791 0.0000 0.0000 33914.2205 -149585.0236 296.1813 -183499.2441 -149482.9173 298.1502 76.7465 111.9705 557346.3020 -10.8317 -10.9217 PRESSURE: 3670400 -235.562 -48.12 -11.1263 -48.1202 -303.103 -72.4149 -11.1258 -72.4161 -111.145 GPRESSURE: 3670400 -180.748 -62.6801 -24.7924 -37.1999 -278.344 -119.744 35.4305 -64.1446 -98.7388 PRESSAVG: 3670400 94.1124 -34.3648 24.0385 -34.3647 -18.3712 -70.3882 24.0386 -70.3881 -58.7704 GPRESSAVG: 3670400 94.032 -32.6996 22.7492 -35.4 -17.7652 -70.2671 26.2517 -69.5919 -58.8723 TIMING: 3670400 CPU: 10919.8, 0.00295322/step Wall: 10919.8, 0.00295322/step, 1.09072 hours remaining, 207.988281 MB of memory in use. ENERGY: 3670400 772.4171 2044.0057 1947.3829 100.2171 -206054.3974 17565.2911 0.0000 0.0000 34189.7957 -149435.2877 298.5880 -183625.0834 -149344.4523 297.9553 -216.6033 -185.9438 557356.0757 5.6569 5.7982 PRESSURE: 3670600 320.608 -85.6601 -44.0902 -85.6586 160.494 -7.90689 -44.091 -7.90778 53.4998 GPRESSURE: 3670600 398.336 -120.07 -149.977 -19.4725 150.355 -3.3444 -51.1971 -37.0127 74.5015 PRESSAVG: 3670600 78.1012 1.10512 -20.2909 1.10509 -63.6221 18.6998 -20.2909 18.6998 -30.9917 GPRESSAVG: 3670600 78.6399 1.30463 -18.8144 -0.211466 -64.1506 17.5948 -23.0354 17.5646 -30.757 TIMING: 3670600 CPU: 10920.3, 0.00291418/step Wall: 10920.3, 0.00291418/step, 1.07614 hours remaining, 207.988281 MB of memory in use. ENERGY: 3670600 723.6078 2140.1065 1917.1181 108.2414 -206315.5694 17791.1607 0.0000 0.0000 34195.9599 -149439.3751 298.6418 -183635.3350 -149342.2761 298.5953 178.2006 207.7308 555987.6040 -5.5042 -5.4226 PRESSURE: 3670800 56.5366 -94.61 -33.9026 -94.6102 41.8365 -68.2926 -33.9023 -68.2937 -44.8189 GPRESSURE: 3670800 72.1241 -73.6812 -55.7852 -187.185 44.0569 -130.049 -37.6825 -21.1153 46.5631 PRESSAVG: 3670800 17.9162 -10.528 -13.5774 -10.528 60.4744 -26.9276 -13.5774 -26.9277 -105.979 GPRESSAVG: 3670800 16.7689 -9.04463 -13.7642 -10.7218 61.5874 -29.1076 -12.3524 -25.674 -106.331 TIMING: 3670800 CPU: 10920.9, 0.00290634/step Wall: 10920.9, 0.00290634/step, 1.07309 hours remaining, 207.988281 MB of memory in use. ENERGY: 3670800 740.9110 2107.2049 1906.7607 109.1276 -206377.6040 17954.5077 0.0000 0.0000 34070.1077 -149488.9844 297.5427 -183559.0921 -149389.7392 298.6281 17.8514 54.2480 557352.4222 -9.1960 -9.3249 PRESSURE: 3671000 -173.728 62.777 100.359 62.7776 -43.0421 7.34694 100.361 7.34485 -259.095 GPRESSURE: 3671000 -121.711 134.497 70.2459 13.134 -4.95366 -39.1042 117.209 -8.77559 -256.875 PRESSAVG: 3671000 6.71301 21.134 -1.82274 21.134 10.2391 -13.8441 -1.82275 -13.8441 -16.6826 GPRESSAVG: 3671000 8.46128 21.3348 0.313951 20.0716 9.50162 -13.8197 -2.82237 -12.2673 -17.0911 TIMING: 3671000 CPU: 10921.5, 0.00292574/step Wall: 10921.5, 0.00292574/step, 1.08009 hours remaining, 207.988281 MB of memory in use. ENERGY: 3671000 761.2522 2087.9885 1937.3437 122.3782 -206183.3804 17753.6986 0.0000 0.0000 34116.4331 -149404.2860 297.9473 -183520.7191 -149301.6439 298.3793 -158.6217 -127.8467 557967.3979 0.0898 0.2906 PRESSURE: 3671200 21.7227 52.5938 -218.55 52.5939 66.8655 -85.9442 -218.55 -85.9453 -216.002 GPRESSURE: 3671200 14.4526 50.3565 -195.156 13.1315 100.6 -103.02 -272.492 -60.1408 -148.453 PRESSAVG: 3671200 -33.7324 10.0723 9.1003 10.0723 27.1453 23.5796 9.1003 23.5797 31.5638 GPRESSAVG: 3671200 -35.1355 8.38107 5.92389 11.1308 27.4013 24.9291 10.1504 21.5852 32.2587 TIMING: 3671200 CPU: 10922.1, 0.00293545/step Wall: 10922.1, 0.00293545/step, 1.08351 hours remaining, 207.988281 MB of memory in use. ENERGY: 3671200 733.3304 2067.7266 1952.9666 102.6410 -206262.6900 17798.2083 0.0000 0.0000 34073.0750 -149534.7421 297.5686 -183607.8171 -149439.7880 298.2309 -42.4712 -11.1335 556087.0352 8.3256 8.1748 PRESSURE: 3671400 -39.89 -170.805 -94.4564 -170.804 8.04263 177.363 -94.4566 177.362 -64.2727 GPRESSURE: 3671400 -9.21042 -199.275 -77.416 -188.554 47.284 121.815 2.27094 256.715 -31.7093 PRESSAVG: 3671400 -35.5431 -11.0861 -28.3037 -11.0861 13.3649 24.2997 -28.3038 24.2998 40.2311 GPRESSAVG: 3671400 -35.542 -10.9822 -25.3575 -9.87712 12.9652 22.7723 -29.2599 26.6083 40.7031 TIMING: 3671400 CPU: 10922.7, 0.00295122/step Wall: 10922.7, 0.00295122/step, 1.08916 hours remaining, 207.988281 MB of memory in use. ENERGY: 3671400 722.6986 2036.9535 1961.4452 111.7429 -206347.6171 17784.5383 0.0000 0.0000 34205.9178 -149524.3207 298.7288 -183730.2386 -149432.8702 298.3903 -32.0400 2.1214 557305.1902 6.0176 6.0421 PRESSURE: 3671600 -115.807 33.2901 140.516 33.2896 10.0892 100.493 140.516 100.492 -125.948 GPRESSURE: 3671600 -43.6073 19.2028 85.5744 -86.1531 -7.72402 152.141 118.061 64.9925 -74.4506 PRESSAVG: 3671600 -1.97238 -17.7348 -2.10575 -17.7348 -29.631 57.4354 -2.10571 57.4354 68.9552 GPRESSAVG: 3671600 -2.51032 -17.4117 -4.28658 -17.6487 -29.8537 59.4074 -1.23432 56.5889 69.7626 TIMING: 3671600 CPU: 10923.3, 0.00293155/step Wall: 10923.3, 0.00293155/step, 1.08174 hours remaining, 207.988281 MB of memory in use. ENERGY: 3671600 758.8141 2018.2957 1949.1473 108.2977 -206631.1301 17969.1800 0.0000 0.0000 34186.2540 -149641.1413 298.5571 -183827.3953 -149539.1754 298.0453 -77.2220 -41.9273 557013.3314 12.4506 12.4662 PRESSURE: 3671800 68.7328 55.9059 -81.0493 55.9068 -272.744 7.51215 -81.0494 7.51144 191.661 GPRESSURE: 3671800 88.4818 46.904 -135.176 87.8849 -220.317 6.74973 -28.2459 -13.9676 207.255 PRESSAVG: 3671800 14.7167 -36.3633 6.44594 -36.3634 -45.9365 60.0315 6.44595 60.0315 11.583 GPRESSAVG: 3671800 16.1081 -35.7454 7.29 -34.9008 -45.4061 60.9659 6.05783 57.5285 9.74568 TIMING: 3671800 CPU: 10923.9, 0.00294742/step Wall: 10923.9, 0.00294742/step, 1.08744 hours remaining, 207.988281 MB of memory in use. ENERGY: 3671800 730.6395 2014.6535 1937.1441 110.6305 -206169.3471 17845.5726 0.0000 0.0000 34085.2797 -149445.4272 297.6752 -183530.7070 -149351.4159 298.3999 -4.1167 25.1398 557815.5391 -6.5456 -6.5174 PRESSURE: 3672000 -100.244 -38.1185 130.164 -38.1177 -26.8286 96.5749 130.164 96.5751 -178.623 GPRESSURE: 3672000 -42.8793 -54.3749 142.146 -57.6888 -12.4512 144.27 104.157 168.362 -159.281 PRESSAVG: 3672000 13.0993 -48.2247 20.952 -48.2246 -54.9435 -19.6731 20.9521 -19.673 32.4469 GPRESSAVG: 3672000 12.5573 -50.1193 22.4209 -48.595 -55.5738 -19.4934 21.6058 -17.5448 33.8322 TIMING: 3672000 CPU: 10924.5, 0.0029497/step Wall: 10924.5, 0.0029497/step, 1.08811 hours remaining, 207.988281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3672000 743.1860 2065.0705 1952.5598 105.4520 -206064.0980 17705.5715 0.0000 0.0000 34189.9504 -149302.3078 298.5893 -183492.2582 -149212.0804 298.4779 -101.8983 -71.5373 558454.1053 -3.1324 -3.0614 PRESSURE: 3672200 -94.937 -14.6383 -15.3783 -14.6391 -22.8499 -56.4461 -15.3796 -56.4459 38.2233 GPRESSURE: 3672200 -99.1088 -11.8002 -4.91724 25.9144 17.4178 48.2382 -23.502 -31.0858 100.542 PRESSAVG: 3672200 -38.7771 -1.13812 -43.7267 -1.13809 -0.613587 28.0199 -43.7266 28.0199 19.9773 GPRESSAVG: 3672200 -38.6791 0.860559 -44.3607 -2.27958 0.366732 28.665 -44.9096 26.6025 19.1585 TIMING: 3672200 CPU: 10925, 0.00294548/step Wall: 10925, 0.00294548/step, 1.08639 hours remaining, 207.988281 MB of memory in use. ENERGY: 3672200 715.8183 2104.7389 1930.3233 128.2350 -206301.9909 17772.8037 0.0000 0.0000 34385.5856 -149264.4861 300.2979 -183650.0717 -149176.0367 299.2575 -26.5212 6.2838 557899.0248 -6.4711 -6.3846 LDB: ============= START OF LOAD BALANCING ============== 10928.6 LDB: ============== END OF LOAD BALANCING =============== 10928.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10928.6 LDB: ============= START OF LOAD BALANCING ============== 10928.9 LDB: Largest compute 4802 load 0.024928 is 21.1% of average load 0.118301 LDB: Average compute 0.001739 is 1.5% of average load 0.118301 LDB: TIME 10928.9 LOAD: AVG 0.118301 MAX 0.197998 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.77 MB LDB: TIME 10928.9 LOAD: AVG 0.118301 MAX 0.197998 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.77 MB LDB: TIME 10928.9 LOAD: AVG 0.118301 MAX 0.197998 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.77 MB LDB: ============== END OF LOAD BALANCING =============== 10928.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10928.9 PRESSURE: 3672400 -69.7093 26.4913 -48.7773 26.4917 76.3583 -46.9944 -48.7777 -46.9923 34.4675 GPRESSURE: 3672400 -25.4543 20.762 -65.8492 -40.9395 80.9876 -27.6704 -4.27345 -9.85032 78.7439 PRESSAVG: 3672400 34.4327 21.3539 -45.0343 21.354 -30.662 32.4984 -45.0342 32.4984 19.0967 GPRESSAVG: 3672400 34.5259 20.2043 -46.2613 21.4104 -31.8391 32.1769 -44.0005 33.9301 20.4984 TIMING: 3672400 CPU: 10925.6, 0.00299526/step Wall: 10925.6, 0.00299526/step, 1.10459 hours remaining, 206.542969 MB of memory in use. ENERGY: 3672400 721.5917 2085.8902 1922.8463 103.9066 -206280.5144 17851.7514 0.0000 0.0000 34325.3074 -149269.2207 299.7714 -183594.5282 -149172.1241 299.0748 13.7055 44.7591 556742.0180 7.6225 7.7284 PRESSURE: 3672600 123.845 56.1426 -96.7586 56.1419 138.623 22.2364 -96.7601 22.2363 50.7071 GPRESSURE: 3672600 174.026 98.4876 -64.7006 10.8628 203.952 21.4103 -50.9824 91.8604 24.1375 PRESSAVG: 3672600 44.1088 7.32308 -46.5941 7.32302 36.6593 -3.87387 -46.5941 -3.87393 -51.9888 GPRESSAVG: 3672600 44.1499 8.35385 -45.9904 8.39181 38.4652 -5.90353 -46.0319 -4.62183 -53.7211 TIMING: 3672600 CPU: 10926.2, 0.0029561/step Wall: 10926.2, 0.0029561/step, 1.08998 hours remaining, 206.742188 MB of memory in use. ENERGY: 3672600 700.0059 2090.6184 1935.9214 101.6721 -206185.3801 17779.3584 0.0000 0.0000 34335.9719 -149241.8320 299.8646 -183577.8039 -149151.4808 299.5393 104.3917 134.0384 557486.2434 9.5931 9.6314 PRESSURE: 3672800 6.36871 -22.4427 148.043 -22.4429 22.9842 -27.6337 148.043 -27.6347 54.5117 GPRESSURE: 3672800 3.2168 15.0973 193.419 -11.2529 114.091 44.7271 100.183 -101.186 58.1085 PRESSAVG: 3672800 12.7391 -12.5462 -11.3719 -12.5461 3.4925 -47.6522 -11.3718 -47.6522 -44.5703 GPRESSAVG: 3672800 13.32 -14.9862 -12.3308 -11.512 2.21858 -47.9972 -12.7142 -49.367 -44.112 TIMING: 3672800 CPU: 10926.8, 0.00293751/step Wall: 10926.8, 0.00293751/step, 1.08296 hours remaining, 206.742188 MB of memory in use. ENERGY: 3672800 754.5077 2080.2367 1922.0498 108.9368 -206464.1407 17823.3069 0.0000 0.0000 34461.1953 -149313.9075 300.9582 -183775.1028 -149223.0419 299.2315 27.9548 58.4720 557133.2979 -9.4462 -9.5245 PRESSURE: 3673000 -102.362 -259.091 -84.1907 -259.092 -74.6549 66.9554 -84.191 66.9538 -331.952 GPRESSURE: 3673000 -47.8625 -214.376 -151.824 -212.546 -65.5874 -98.2893 -34.7072 117.547 -300.852 PRESSAVG: 3673000 14.4406 -9.98251 -3.35706 -9.98251 33.7407 -31.3482 -3.35713 -31.3482 -24.4311 GPRESSAVG: 3673000 15.2584 -8.80726 -0.819049 -10.9163 34.0875 -28.5793 -6.28471 -30.6465 -25.2143 TIMING: 3673000 CPU: 10927.4, 0.00294973/step Wall: 10927.4, 0.00294973/step, 1.0873 hours remaining, 206.742188 MB of memory in use. ENERGY: 3673000 765.5686 2101.8803 1933.9325 116.8015 -205949.5561 17576.9691 0.0000 0.0000 34261.9786 -149192.4254 299.2184 -183454.4040 -149103.4793 298.9899 -169.6563 -138.1006 558190.2706 7.9167 8.0439 PRESSURE: 3673200 -10.7021 188.171 -153.497 188.171 -84.4607 -77.5715 -153.498 -77.5716 -11.5183 GPRESSURE: 3673200 9.12722 144.094 -99.7996 140.816 -87.3002 -50.2874 -161.536 -156.863 58.9791 PRESSAVG: 3673200 -90.4031 32.6502 -53.6632 32.6502 -16.7859 -57.4002 -53.6632 -57.4001 73.143 GPRESSAVG: 3673200 -91.1708 33.407 -53.8468 29.3713 -17.0615 -59.0715 -52.0177 -58.2321 73.6207 TIMING: 3673200 CPU: 10928, 0.00295648/step Wall: 10928, 0.00295648/step, 1.08963 hours remaining, 206.742188 MB of memory in use. ENERGY: 3673200 727.0303 2069.3389 1946.5569 106.9537 -206011.9116 17832.2899 0.0000 0.0000 34086.6445 -149243.0973 297.6871 -183329.7418 -149147.5626 298.8179 -35.5604 -6.3980 558149.7149 -11.3486 -11.5372 PRESSURE: 3673400 65.2327 72.1197 -47.0191 72.1197 -87.145 7.64115 -47.0186 7.64201 -257.979 GPRESSURE: 3673400 75.8691 140.698 34.6142 5.08217 -64.8775 -20.5356 -0.869549 -32.6307 -198.324 PRESSAVG: 3673400 -58.8687 14.1931 -31.6886 14.193 45.4132 8.09266 -31.6886 8.09272 20.4862 GPRESSAVG: 3673400 -58.1845 13.602 -34.5531 16.4645 46.3404 8.56423 -28.2266 8.5356 19.7566 TIMING: 3673400 CPU: 10928.6, 0.00295477/step Wall: 10928.6, 0.00295477/step, 1.08883 hours remaining, 206.742188 MB of memory in use. ENERGY: 3673400 740.6692 2081.9917 1931.4470 115.3995 -205763.7174 17685.8701 0.0000 0.0000 34069.3127 -149139.0272 297.5358 -183208.3399 -149044.7719 299.0807 -93.2972 -62.4442 559907.4324 2.3436 2.6375 PRESSURE: 3673600 -36.7813 -13.7094 213.428 -13.7099 -105.895 34.8833 213.427 34.8847 -5.19616 GPRESSURE: 3673600 -63.7971 1.65035 114.394 -19.5687 -29.0851 82.441 257.214 -61.613 39.2055 PRESSAVG: 3673600 -6.16249 -16.3293 11.9968 -16.3295 -20.2536 -52.6019 11.9969 -52.6019 14.1317 GPRESSAVG: 3673600 -8.29982 -16.7951 12.3098 -16.5045 -20.087 -52.7542 11.0866 -54.1506 16.1461 TIMING: 3673600 CPU: 10929.2, 0.00292663/step Wall: 10929.2, 0.00292663/step, 1.0783 hours remaining, 206.742188 MB of memory in use. ENERGY: 3673600 732.7341 2025.0715 1948.5917 119.9122 -206198.9451 17822.0860 0.0000 0.0000 34357.8499 -149192.6997 300.0556 -183550.5496 -149096.8992 299.1064 -49.2910 -17.8922 558036.5770 -4.0948 -4.0802 PRESSURE: 3673800 13.5257 -195.624 -142.102 -195.623 -88.6538 87.25 -142.101 87.2497 -248.255 GPRESSURE: 3673800 34.0796 -175.424 -139.621 -184.775 -39.0237 132.89 -120.567 69.1736 -226.991 PRESSAVG: 3673800 -36.2449 4.54076 11.536 4.54074 -19.1669 -0.942251 11.536 -0.942187 43.6143 GPRESSAVG: 3673800 -35.4968 5.3453 13.4133 3.1535 -19.1358 -1.20296 10.8346 0.689458 43.0837 TIMING: 3673800 CPU: 10929.8, 0.00295974/step Wall: 10929.8, 0.00295974/step, 1.09034 hours remaining, 206.742188 MB of memory in use. ENERGY: 3673800 786.2140 2037.9539 1963.2224 108.1282 -206004.8549 17818.5072 0.0000 0.0000 34289.2035 -149001.6257 299.4561 -183290.8292 -148903.8067 298.3981 -107.7944 -77.3116 557188.2954 -3.9325 -3.8496 PRESSURE: 3674000 -192.555 111.111 -91.9238 111.111 69.0933 -55.2116 -91.9246 -55.2125 -5.27119 GPRESSURE: 3674000 -108.622 149.173 -26.8616 108.274 87.015 -46.5581 -50.4147 -45.0416 -14.5742 PRESSAVG: 3674000 28.1324 -54.9276 -37.7684 -54.9278 -24.4425 -27.424 -37.7685 -27.4239 -3.06255 GPRESSAVG: 3674000 28.9639 -55.9476 -36.7531 -52.3543 -25.6317 -27.7292 -37.4282 -28.2128 -2.60046 TIMING: 3674000 CPU: 10930.4, 0.00295103/step Wall: 10930.4, 0.00295103/step, 1.08696 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3674000 728.7121 2079.9946 1926.5232 116.8410 -205653.5305 17688.5496 0.0000 0.0000 34238.8032 -148874.1068 299.0160 -183112.9100 -148781.6591 300.1536 -42.9111 -12.0604 558744.0987 0.2091 0.2439 PRESSURE: 3674200 316.68 -21.6457 96.855 -21.6455 80.22 -49.4955 96.8556 -49.4952 69.2988 GPRESSURE: 3674200 387.948 63.6247 107.069 7.94983 99.9885 -25.1409 38.0642 -68.7762 76.7328 PRESSAVG: 3674200 -3.55266 -34.578 28.6365 -34.578 16.1738 -69.8575 28.6365 -69.8575 -25.0192 GPRESSAVG: 3674200 -2.39383 -33.2474 27.3559 -36.281 15.2624 -70.6423 26.9693 -69.0531 -25.7834 TIMING: 3674200 CPU: 10931, 0.00296916/step Wall: 10931, 0.00296916/step, 1.09348 hours remaining, 206.742188 MB of memory in use. ENERGY: 3674200 749.6994 2143.9267 1955.4818 124.6810 -206142.6380 18002.7549 0.0000 0.0000 34370.2289 -148795.8653 300.1638 -183166.0943 -148707.5031 299.9566 155.3996 188.2231 557327.5506 -4.1327 -4.3049 PRESSURE: 3674400 -125.758 111.162 44.132 111.162 -215.592 -36.7399 44.1307 -36.7384 -70.6055 GPRESSURE: 3674400 -55.3268 84.6649 10.8279 136.682 -242.423 -54.7599 25.5638 -12.4096 -27.0866 PRESSAVG: 3674400 33.7135 -16.3607 63.4398 -16.3607 -32.8237 -30.1448 63.4397 -30.1447 -21.55 GPRESSAVG: 3674400 32.5449 -17.5171 64.9059 -15.6633 -30.9829 -28.1732 61.8411 -30.4302 -22.7295 TIMING: 3674400 CPU: 10931.5, 0.00295257/step Wall: 10931.5, 0.00295257/step, 1.0872 hours remaining, 206.742188 MB of memory in use. ENERGY: 3674400 766.6899 2132.7581 1949.7667 125.0382 -205656.9441 17565.7601 0.0000 0.0000 34343.4305 -148773.5006 299.9297 -183116.9311 -148675.5514 300.8135 -137.3182 -108.2788 557857.2630 -6.8867 -7.0558 PRESSURE: 3674600 -9.47471 -108.019 161.904 -108.019 -207.183 -162.047 161.904 -162.048 -110.259 GPRESSURE: 3674600 7.8099 -120.759 163.67 -127.479 -165.154 -166.874 142.384 -145.835 -68.5052 PRESSAVG: 3674600 90.8241 -47.3099 41.1675 -47.3099 -40.1844 -30.1838 41.1675 -30.1839 -23.237 GPRESSAVG: 3674600 89.8194 -45.4646 38.5539 -47.8441 -39.312 -32.5201 44.5802 -30.1562 -22.7721 TIMING: 3674600 CPU: 10932.1, 0.00293659/step Wall: 10932.1, 0.00293659/step, 1.08115 hours remaining, 206.742188 MB of memory in use. ENERGY: 3674600 744.7300 2046.9998 1965.3241 111.6469 -205625.4526 17657.0003 0.0000 0.0000 34411.7036 -148688.0479 300.5260 -183099.7515 -148586.8785 300.3248 -108.9723 -75.2830 560832.2694 9.1342 9.2451 PRESSURE: 3674800 -35.8907 -45.6502 8.36871 -45.6507 86.1158 -9.72987 8.36912 -9.73052 104.102 GPRESSURE: 3674800 -2.87658 -58.6633 -29.8459 -3.31428 119.08 -20.1782 23.3324 -13.4683 139.414 PRESSAVG: 3674800 63.3847 -68.3969 -34.0465 -68.3969 -63.5883 -37.9217 -34.0465 -37.9216 38.95 GPRESSAVG: 3674800 64.4422 -70.1931 -32.5368 -66.5387 -65.0373 -37.0791 -34.4803 -37.2295 39.7489 TIMING: 3674800 CPU: 10932.7, 0.00296075/step Wall: 10932.7, 0.00296075/step, 1.08988 hours remaining, 206.742188 MB of memory in use. ENERGY: 3674800 738.9470 2089.6374 1954.4408 111.8706 -205889.0335 17925.0641 0.0000 0.0000 34259.8068 -148809.2669 299.1994 -183069.0736 -148712.4011 300.0605 51.4425 85.2056 560045.2883 12.9155 13.0513 PRESSURE: 3675000 -467.225 71.3084 109.046 71.3082 -62.1367 4.54151 109.045 4.54113 -26.2961 GPRESSURE: 3675000 -433.347 17.1349 59.8463 43.2944 -19.4067 -63.3093 64.2571 14.8994 -1.0014 PRESSAVG: 3675000 107.286 22.4201 53.2441 22.4202 -91.2555 -45.9339 53.244 -45.934 -5.3024 GPRESSAVG: 3675000 107.152 21.5189 53.2677 20.7382 -89.9427 -46.8116 52.8115 -44.1674 -6.57017 TIMING: 3675000 CPU: 10933.3, 0.00295491/step Wall: 10933.3, 0.00295491/step, 1.08757 hours remaining, 206.742188 MB of memory in use. ENERGY: 3675000 740.0556 2067.4170 1974.2982 116.1737 -205389.4999 17379.5177 0.0000 0.0000 34330.5744 -148781.4633 299.8174 -183112.0377 -148695.4417 300.3400 -185.2191 -151.2516 560044.8206 3.5760 3.5462 PRESSURE: 3675200 63.4498 -142.191 -163.769 -142.191 -95.0386 -0.469165 -163.77 -0.470781 -56.6251 GPRESSURE: 3675200 122.703 -105.718 -188.644 -124.776 -58.397 -26.8226 -144.781 -1.10262 -61.0009 PRESSAVG: 3675200 53.2032 -19.6416 -36.7239 -19.6416 -40.6946 32.1602 -36.7239 32.1602 -20.547 GPRESSAVG: 3675200 52.2297 -17.7414 -37.2959 -19.2739 -40.9858 32.4204 -37.2195 31.5567 -19.2192 TIMING: 3675200 CPU: 10933.9, 0.00293486/step Wall: 10933.9, 0.00293486/step, 1.08003 hours remaining, 206.742188 MB of memory in use. ENERGY: 3675200 732.2416 2104.7458 1936.8619 112.7533 -205570.5331 17691.6213 0.0000 0.0000 34458.3730 -148533.9362 300.9335 -182992.3092 -148435.0361 300.3205 -29.4047 1.1016 559948.8904 -2.6795 -2.6584 PRESSURE: 3675400 -42.2705 24.9885 85.1119 24.9898 -33.6546 -122.488 85.1111 -122.488 -38.3652 GPRESSURE: 3675400 -21.106 56.5686 90.2843 -16.7525 -2.56129 -124.966 146.802 -74.7071 11.5669 PRESSAVG: 3675400 0.508314 -3.13061 43.9511 -3.13059 3.53287 -10.8084 43.951 -10.8084 -48.0015 GPRESSAVG: 3675400 0.76382 -4.17441 44.1398 -3.24863 3.55149 -9.41251 42.3932 -12.8855 -47.8344 TIMING: 3675400 CPU: 10934.5, 0.00292298/step Wall: 10934.5, 0.00292298/step, 1.0755 hours remaining, 206.742188 MB of memory in use. ENERGY: 3675400 764.9599 2025.4890 1932.7111 102.1840 -205913.4436 17862.8825 0.0000 0.0000 34580.0578 -148645.1592 301.9962 -183225.2170 -148552.2507 300.6859 -38.0968 -4.0335 558887.4049 -14.6535 -14.5064 PRESSURE: 3675600 -129.117 125.267 -50.6764 125.266 -127.855 -5.01551 -50.6769 -5.01361 -186.799 GPRESSURE: 3675600 -94.4819 108.857 -54.9958 174.575 -99.4174 3.42783 1.4435 33.6965 -147.223 PRESSAVG: 3675600 69.1515 11.4009 -7.06733 11.4009 -96.2075 -31.5784 -7.06728 -31.5785 56.1264 GPRESSAVG: 3675600 70.1853 13.4244 -5.77829 9.61583 -97.3173 -32.7493 -4.90815 -31.0831 56.4011 TIMING: 3675600 CPU: 10935.1, 0.00292688/step Wall: 10935.1, 0.00292688/step, 1.07677 hours remaining, 206.742188 MB of memory in use. ENERGY: 3675600 710.4475 2073.5154 1926.2663 111.5473 -205235.1024 17410.1007 0.0000 0.0000 34367.9081 -148635.3172 300.1435 -183003.2253 -148547.0888 300.5289 -147.9234 -113.7075 558849.1082 9.6901 9.7564 PRESSURE: 3675800 -22.0261 21.8565 -110.782 21.8573 38.675 -154.606 -110.781 -154.605 255.833 GPRESSURE: 3675800 19.771 -109.529 -100.921 36.0553 33.1068 -143.482 -187.324 -75.8167 315.661 PRESSAVG: 3675800 21.9509 8.96682 -29.4859 8.96688 34.497 -98.588 -29.4859 -98.5881 -53.6465 GPRESSAVG: 3675800 21.0126 6.24289 -31.7603 11.8185 34.6049 -98.915 -29.4679 -96.7207 -52.8233 TIMING: 3675800 CPU: 10935.7, 0.00291331/step Wall: 10935.7, 0.00291331/step, 1.07161 hours remaining, 206.742188 MB of memory in use. ENERGY: 3675800 742.6872 2005.8767 1938.7701 118.0215 -205831.2729 17982.2935 0.0000 0.0000 34304.6027 -148739.0212 299.5906 -183043.6239 -148647.5263 300.2187 90.8274 122.8462 559408.5369 0.9338 0.9314 PRESSURE: 3676000 12.0945 157.953 58.1058 157.955 -32.6418 -125.108 58.1047 -125.109 36.3331 GPRESSURE: 3676000 104.24 158.987 85.2636 145.127 41.9485 -98.3415 138.437 -104.473 -27.2848 PRESSAVG: 3676000 29.8375 16.041 -27.0034 16.041 22.7058 -27.4387 -27.0035 -27.4387 2.20254 GPRESSAVG: 3676000 30.3272 16.4367 -25.9681 14.3293 24.4335 -26.2326 -27.2868 -29.0027 0.612337 TIMING: 3676000 CPU: 10936.2, 0.00291865/step Wall: 10936.2, 0.00291865/step, 1.07342 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3676000 738.7867 2014.0063 1934.2591 121.1271 -205699.8553 17733.7954 0.0000 0.0000 34314.7588 -148843.1219 299.6793 -183157.8807 -148750.5504 300.7379 5.2619 39.6345 558357.8871 18.2486 18.4577 PRESSURE: 3676200 -37.9091 13.2916 -89.3879 13.2927 72.719 -10.2566 -89.3886 -10.2555 -95.1317 GPRESSURE: 3676200 -1.21252 -36.808 -77.6271 6.88516 124.548 16.0794 -40.799 -66.4897 -84.4404 PRESSAVG: 3676200 -39.0384 49.4321 -7.54972 49.4322 -3.05427 -5.12237 -7.54975 -5.12221 58.0417 GPRESSAVG: 3676200 -38.8858 48.3087 -6.92043 49.2691 -3.04873 -6.53196 -6.31205 -4.92726 58.1332 TIMING: 3676200 CPU: 10936.8, 0.00296713/step Wall: 10936.8, 0.00296713/step, 1.09108 hours remaining, 206.742188 MB of memory in use. ENERGY: 3676200 735.0372 2099.1841 1926.8434 106.5349 -206146.8839 17762.8077 0.0000 0.0000 34538.8835 -148977.5930 301.6367 -183516.4766 -148885.5385 300.1538 -20.1072 12.9649 557672.3336 5.3163 5.3996 LDB: ============= START OF LOAD BALANCING ============== 10940.4 LDB: ============== END OF LOAD BALANCING =============== 10940.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10940.4 LDB: ============= START OF LOAD BALANCING ============== 10940.7 LDB: Largest compute 4796 load 0.025177 is 21.3% of average load 0.118178 LDB: Average compute 0.001738 is 1.5% of average load 0.118178 LDB: TIME 10940.7 LOAD: AVG 0.118178 MAX 0.196822 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 10940.7 LOAD: AVG 0.118178 MAX 0.196822 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.945 MB LDB: TIME 10940.7 LOAD: AVG 0.118178 MAX 0.196822 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.945 MB LDB: ============== END OF LOAD BALANCING =============== 10940.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10940.7 PRESSURE: 3676400 106.38 -0.666351 117.735 -0.666116 -363.557 9.69563 117.735 9.69554 -123.683 GPRESSURE: 3676400 162.564 43.3248 183.011 -102.449 -330.031 12.1308 -41.7996 23.6976 -115.456 PRESSAVG: 3676400 -21.3623 75.5541 46.497 75.5542 -22.0231 -63.5173 46.497 -63.5173 -1.45695 GPRESSAVG: 3676400 -20.4644 78.267 45.3556 74.2109 -22.529 -60.57 43.6216 -65.4426 -2.23545 TIMING: 3676400 CPU: 10937.4, 0.00302132/step Wall: 10937.4, 0.00302132/step, 1.11084 hours remaining, 207.765625 MB of memory in use. ENERGY: 3676400 730.0174 2075.6505 1940.6115 117.6273 -205861.6220 17630.6944 0.0000 0.0000 34247.2093 -149119.8115 299.0894 -183367.0208 -149034.7300 299.5906 -126.9536 -94.3075 558419.3095 -14.9474 -15.0763 PRESSURE: 3676600 -144.942 -43.4088 139.663 -43.4088 -57.0621 -31.6461 139.664 -31.6445 -117.048 GPRESSURE: 3676600 -80.4845 -32.1641 165.665 -97.7835 -10.509 9.68575 102.719 -99.9076 -129.948 PRESSAVG: 3676600 61.223 -18.2247 -17.3315 -18.2247 -41.9136 -24.4711 -17.3316 -24.4711 -8.154 GPRESSAVG: 3676600 60.7067 -19.8089 -16.5673 -19.0868 -41.7516 -26.4478 -14.4645 -22.0675 -7.57084 TIMING: 3676600 CPU: 10938, 0.00296132/step Wall: 10938, 0.00296132/step, 1.08861 hours remaining, 207.765625 MB of memory in use. ENERGY: 3676600 740.7006 2021.7880 1936.2690 100.4540 -206186.8268 17876.9616 0.0000 0.0000 34308.6169 -149202.0368 299.6257 -183510.6537 -149102.1338 298.8729 -106.3508 -73.6470 558863.3956 3.7184 3.7948 PRESSURE: 3676800 33.0712 -36.7562 16.5826 -36.756 -121.59 -45.1849 16.5827 -45.1837 -9.781 GPRESSURE: 3676800 72.7309 -102.913 15.9532 -8.08601 -109.206 -7.59996 168.476 -42.7743 24.7712 PRESSAVG: 3676800 38.5684 -100.771 4.24298 -100.771 6.99384 -38.34 4.24303 -38.3399 -9.91466 GPRESSAVG: 3676800 38.0443 -99.3854 5.65469 -98.816 6.39138 -36.7209 1.86831 -37.8682 -8.85255 TIMING: 3676800 CPU: 10938.6, 0.00294453/step Wall: 10938.6, 0.00294453/step, 1.08228 hours remaining, 207.765625 MB of memory in use. ENERGY: 3676800 786.3109 2032.7760 1972.1709 96.4401 -206005.4548 17763.6365 0.0000 0.0000 34137.3542 -149216.7661 298.1300 -183354.1203 -149116.7007 299.3073 -32.7667 -3.9012 557359.9829 11.8825 11.8610 PRESSURE: 3677000 93.3401 56.4129 207.402 56.413 -31.8172 0.0158839 207.401 0.0160396 -178.528 GPRESSURE: 3677000 52.2338 35.463 145.718 31.7254 19.7767 -8.90113 169.541 26.9664 -93.8879 PRESSAVG: 3677000 46.2818 -39.2998 5.1915 -39.2999 12.4451 -17.5497 5.1916 -17.5497 -59.8886 GPRESSAVG: 3677000 45.9095 -41.4583 3.69824 -38.8047 13.1513 -17.7807 6.2932 -19.0307 -61.2463 TIMING: 3677000 CPU: 10939.2, 0.00294192/step Wall: 10939.2, 0.00294192/step, 1.08115 hours remaining, 207.765625 MB of memory in use. ENERGY: 3677000 764.0038 2062.1527 1960.2680 105.8958 -205760.0458 17534.2826 0.0000 0.0000 34214.8375 -149118.6053 298.8067 -183333.4428 -149025.0266 298.9576 -39.0018 -7.2925 556316.8530 -0.3872 -0.7285 PRESSURE: 3677200 -130.684 44.0114 -37.9585 44.0121 -66.7982 -22.7926 -37.9597 -22.7925 18.0335 GPRESSURE: 3677200 -151.994 -57.6997 -116.647 -1.1719 12.4407 -26.4909 37.665 -88.2435 55.6604 PRESSAVG: 3677200 -14.4272 0.838283 -17.7517 0.838235 40.8947 28.1906 -17.7517 28.1907 -29.5378 GPRESSAVG: 3677200 -14.269 4.00218 -18.0372 -1.79725 40.4717 26.8944 -19.5834 28.3731 -29.4303 TIMING: 3677200 CPU: 10939.8, 0.00292725/step Wall: 10939.8, 0.00292725/step, 1.0756 hours remaining, 207.765625 MB of memory in use. ENERGY: 3677200 739.4382 2078.6128 1934.7582 112.9351 -205723.5797 17568.2355 0.0000 0.0000 34150.4994 -149139.1005 298.2448 -183289.5999 -149038.5259 299.2988 -59.8162 -27.9642 556037.1322 -1.0234 -1.0759 PRESSURE: 3677400 36.5868 74.9474 10.3577 74.9471 -155.134 92.8853 10.3572 92.8864 -168.828 GPRESSURE: 3677400 82.3917 57.8044 34.5977 61.6349 -145.622 16.3477 -0.478729 190.791 -119.345 PRESSAVG: 3677400 -46.9658 19.677 -28.6379 19.6769 86.5801 1.62107 -28.6379 1.62104 -17.7028 GPRESSAVG: 3677400 -47.3048 17.6299 -26.9209 21.5166 86.5163 1.34282 -27.0449 2.57019 -18.0766 TIMING: 3677400 CPU: 10940.4, 0.00294423/step Wall: 10940.4, 0.00294423/step, 1.08168 hours remaining, 207.765625 MB of memory in use. ENERGY: 3677400 795.8983 2038.7553 1975.2430 116.6183 -206244.8691 17727.1157 0.0000 0.0000 34435.3579 -149155.8807 300.7325 -183591.2386 -149051.7677 299.9356 -95.7917 -60.8585 555235.1412 7.3038 7.0450 PRESSURE: 3677600 -270.923 -116.794 -116.659 -116.795 -318.25 44.8849 -116.659 44.8847 -201.237 GPRESSURE: 3677600 -249.327 -60.1754 -126.641 -194.269 -265.115 109.3 -18.9866 77.9063 -183.178 PRESSAVG: 3677600 -22.0859 -3.83947 30.7499 -3.83943 -16.3298 -3.67962 30.7499 -3.67965 12.6338 GPRESSAVG: 3677600 -22.1753 -4.38556 27.9802 -4.12422 -16.8584 -1.49322 31.6718 -4.33746 13.2432 TIMING: 3677600 CPU: 10941, 0.00295914/step Wall: 10941, 0.00295914/step, 1.08699 hours remaining, 207.765625 MB of memory in use. ENERGY: 3677600 760.4505 2068.5148 1928.9308 117.0793 -205800.9676 17486.2682 0.0000 0.0000 34421.4977 -149018.2264 300.6115 -183439.7241 -148917.5250 299.7750 -263.4697 -232.5399 558764.2754 -8.5940 -8.5968 PRESSURE: 3677800 117.575 -3.91101 -14.6921 -3.91071 -61.3187 168.497 -14.6922 168.497 -101.195 GPRESSURE: 3677800 101.859 95.3832 -5.48221 -41.3067 6.99648 148.174 38.0362 167.655 -46.3348 PRESSAVG: 3677800 -4.03117 -4.83205 -31.557 -4.83211 -37.2745 41.7661 -31.5569 41.7661 39.0154 GPRESSAVG: 3677800 -3.77406 -5.44627 -31.2836 -3.33558 -37.0854 39.6493 -33.7816 41.7791 38.3999 TIMING: 3677800 CPU: 10941.6, 0.00297096/step Wall: 10941.6, 0.00297096/step, 1.09117 hours remaining, 207.765625 MB of memory in use. ENERGY: 3677800 752.9331 2065.9071 1930.5264 111.0695 -206164.8398 17583.0864 0.0000 0.0000 34523.4937 -149197.8236 301.5023 -183721.3173 -149098.7843 299.6321 -14.9795 20.8402 556856.3928 -0.7634 -0.8198 PRESSURE: 3678000 -154.49 -10.4699 82.5603 -10.4711 108.357 -50.9183 82.5614 -50.9175 157.385 GPRESSURE: 3678000 -82.695 -33.017 84.7065 -25.2829 87.9246 -60.5587 67.1641 -20.5553 190.167 PRESSAVG: 3678000 -30.9147 29.5308 -7.97049 29.5308 18.0965 31.661 -7.9705 31.661 2.97354 GPRESSAVG: 3678000 -30.5345 32.6205 -7.77572 27.6436 16.3515 31.473 -5.57365 30.6 3.86993 TIMING: 3678000 CPU: 10942.2, 0.00295702/step Wall: 10942.2, 0.00295702/step, 1.08588 hours remaining, 207.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3678000 785.6777 2129.4462 1915.9237 116.8072 -206296.0691 17839.6044 0.0000 0.0000 34425.6727 -149082.9372 300.6480 -183508.6099 -148989.1840 299.4513 37.0837 65.1321 556680.8446 -3.2815 -3.4377 PRESSURE: 3678200 201.91 -37.5454 -76.2666 -37.5449 47.2183 -7.02374 -76.2671 -7.02432 -203.927 GPRESSURE: 3678200 242.373 -11.0554 -190.339 66.9031 93.9414 -62.8338 15.0167 -18.138 -183.256 PRESSAVG: 3678200 -64.5824 20.3709 -7.45963 20.3709 58.3013 13.2587 -7.45971 13.2588 -29.9062 GPRESSAVG: 3678200 -64.8828 18.7688 -6.70486 20.8862 60.039 15.0167 -8.36892 12.9989 -31.2644 TIMING: 3678200 CPU: 10942.7, 0.00294882/step Wall: 10942.7, 0.00294882/step, 1.08271 hours remaining, 207.765625 MB of memory in use. ENERGY: 3678200 764.0764 2081.6028 1930.3327 117.9069 -206081.3348 17859.1002 0.0000 0.0000 34290.0633 -149038.2526 299.4637 -183328.3159 -148942.5024 300.0864 15.0668 51.0194 557641.8464 -12.0624 -12.0361 PRESSURE: 3678400 -139.497 92.1588 61.3617 92.1596 -18.3104 -12.1672 61.3635 -12.1689 -485.631 GPRESSURE: 3678400 -169.127 129.084 143.229 49.4314 -14.499 -28.9082 44.1192 -22.4437 -359.402 PRESSAVG: 3678400 3.41833 9.27561 40.8128 9.27554 -23.9117 -46.0707 40.8129 -46.0706 -0.729835 GPRESSAVG: 3678400 3.92892 10.5495 41.5772 8.08016 -25.084 -47.7818 39.3974 -44.7998 0.23482 TIMING: 3678400 CPU: 10943.3, 0.00294143/step Wall: 10943.3, 0.00294143/step, 1.07983 hours remaining, 207.765625 MB of memory in use. ENERGY: 3678400 740.6240 2047.0189 1958.3924 105.9226 -205709.5017 17490.6716 0.0000 0.0000 34324.5303 -149042.3419 299.7647 -183366.8722 -148947.6105 300.1227 -214.4794 -181.0092 557947.6258 -7.0744 -6.9734 PRESSURE: 3678600 80.3693 65.5991 -94.4862 65.599 -351.27 94.2916 -94.4863 94.2917 43.7658 GPRESSURE: 3678600 104.113 96.6568 -84.0266 145.833 -253.77 45.4352 -120.977 138.564 39.3939 PRESSAVG: 3678600 4.62304 -27.9932 23.4488 -27.9932 -18.2731 -31.783 23.4488 -31.783 62.1039 GPRESSAVG: 3678600 3.06537 -29.3378 24.2187 -27.2581 -16.6626 -33.2983 23.3486 -30.6223 62.0125 TIMING: 3678600 CPU: 10943.9, 0.00294707/step Wall: 10943.9, 0.00294707/step, 1.08174 hours remaining, 207.765625 MB of memory in use. ENERGY: 3678600 778.9389 2064.4319 1932.4020 122.7381 -206096.4846 17784.8893 0.0000 0.0000 34370.1416 -149042.9428 300.1630 -183413.0844 -148947.2741 299.9930 -75.7116 -36.7541 557066.8878 16.1513 16.1384 PRESSURE: 3678800 -6.327 51.9656 18.1884 51.9648 -51.2439 -148.301 18.188 -148.302 -630.537 GPRESSURE: 3678800 -47.1535 38.9818 -18.4542 26.0584 32.8796 -139.584 5.61871 -52.4583 -577.5 PRESSAVG: 3678800 45.7183 -11.8033 34.3305 -11.8033 48.9021 6.72747 34.3305 6.72742 -60.1359 GPRESSAVG: 3678800 46.2785 -11.0936 33.2736 -10.9755 48.8829 8.75293 32.355 5.07011 -60.9822 TIMING: 3678800 CPU: 10944.5, 0.00292353/step Wall: 10944.5, 0.00292353/step, 1.07294 hours remaining, 207.765625 MB of memory in use. ENERGY: 3678800 717.8516 2060.2949 1926.5286 118.6730 -205712.9360 17441.2181 0.0000 0.0000 34367.2510 -149081.1187 300.1378 -183448.3697 -148990.3899 300.1062 -229.3694 -197.2580 559167.1912 11.4948 11.3931 PRESSURE: 3679000 -144.867 -32.8873 153.51 -32.8865 60.6955 -10.1821 153.511 -10.1812 61.759 GPRESSURE: 3679000 -88.54 -42.9024 138.605 -1.96627 80.0946 -33.429 159.514 -27.7932 84.6064 PRESSAVG: 3679000 5.64554 -37.6689 25.6001 -37.6687 53.8427 -18.62 25.6001 -18.62 -27.189 GPRESSAVG: 3679000 5.19697 -37.7381 25.2582 -38.3601 53.0354 -18.724 27.9827 -19.0091 -25.8821 TIMING: 3679000 CPU: 10945.1, 0.00296668/step Wall: 10945.1, 0.00296668/step, 1.08861 hours remaining, 207.765625 MB of memory in use. ENERGY: 3679000 746.2968 2073.4510 1952.1883 112.3771 -206464.3826 18024.7308 0.0000 0.0000 34326.8881 -149228.4505 299.7853 -183555.3386 -149127.1721 299.1396 -7.4708 25.3870 556628.1913 10.7664 10.7834 PRESSURE: 3679200 152.233 -110.533 53.6699 -110.532 3.89205 54.8592 53.6706 54.8595 161.381 GPRESSURE: 3679200 139.132 -37.5604 -20.8106 -99.6399 89.5798 93.1383 69.2774 29.8231 190.514 PRESSAVG: 3679200 28.9003 -35.7049 2.20996 -35.7049 30.348 10.7344 2.20999 10.7343 -44.093 GPRESSAVG: 3679200 28.9172 -37.3372 4.41928 -36.2339 31.9215 9.77699 1.28227 9.38717 -45.3159 TIMING: 3679200 CPU: 10945.7, 0.00293861/step Wall: 10945.7, 0.00293861/step, 1.07814 hours remaining, 207.765625 MB of memory in use. ENERGY: 3679200 742.9423 2087.9082 1959.9190 127.8708 -206159.5517 17955.7077 0.0000 0.0000 34293.2837 -148991.9199 299.4918 -183285.2036 -148898.9535 299.4306 105.8351 139.7420 556852.8599 5.0518 5.1743 PRESSURE: 3679400 -324.253 60.0866 5.12357 60.0867 31.0445 142.147 5.12278 142.148 -111.157 GPRESSURE: 3679400 -271.463 11.5194 -43.6053 88.2264 51.7693 98.2066 31.4755 138.847 -85.762 PRESSAVG: 3679400 32.6705 -72.8167 -21.6985 -72.8167 8.55727 -10.4343 -21.6985 -10.4344 -33.4296 GPRESSAVG: 3679400 32.9033 -70.749 -22.8789 -73.2517 7.53429 -11.5012 -21.2969 -9.08287 -32.1911 TIMING: 3679400 CPU: 10946.3, 0.00295455/step Wall: 10946.3, 0.00295455/step, 1.08383 hours remaining, 207.765625 MB of memory in use. ENERGY: 3679400 790.4428 2041.3306 1931.8687 109.9626 -205804.5216 17559.0527 0.0000 0.0000 34319.3946 -149052.4694 299.7198 -183371.8640 -148954.8310 300.2067 -134.7886 -101.8185 557684.5030 2.5994 2.7488 PRESSURE: 3679600 4.14892 -27.8197 41.9968 -27.8203 -368.556 121.626 41.9968 121.625 163.901 GPRESSURE: 3679600 4.64845 26.5183 60.3137 -119.025 -297.347 60.0426 47.8658 145.289 180.713 PRESSAVG: 3679600 -21.5442 -70.4813 -24.7004 -70.4814 26.3839 47.4941 -24.7003 47.4941 -52.2433 GPRESSAVG: 3679600 -20.8744 -68.8424 -26.6066 -69.5739 26.3138 48.475 -24.3412 48.4253 -53.7719 TIMING: 3679600 CPU: 10946.9, 0.00293252/step Wall: 10946.9, 0.00293252/step, 1.07558 hours remaining, 207.765625 MB of memory in use. ENERGY: 3679600 769.1044 2141.0749 1959.9361 107.7229 -206107.4067 17743.5176 0.0000 0.0000 34443.8656 -148942.1852 300.8068 -183386.0508 -148846.8323 300.1224 -66.8351 -37.3287 559268.2568 -15.8012 -16.1108 PRESSURE: 3679800 -34.4141 -198.767 -170.565 -198.766 -131.329 -28.4822 -170.565 -28.4818 -289.385 GPRESSURE: 3679800 17.8077 -148.765 -214.725 -226.479 -159.471 -104.455 -142.488 -5.80364 -218.298 PRESSAVG: 3679800 88.4159 -59.4149 -79.7457 -59.4148 -36.9085 -20.6399 -79.7457 -20.6399 -11.42 GPRESSAVG: 3679800 87.8122 -60.5349 -79.7656 -61.2979 -37.2905 -20.6719 -79.622 -21.0293 -10.68 TIMING: 3679800 CPU: 10947.5, 0.00292424/step Wall: 10947.5, 0.00292424/step, 1.07238 hours remaining, 207.765625 MB of memory in use. ENERGY: 3679800 738.1638 2106.7259 1949.9002 112.4694 -205673.2135 17495.7045 0.0000 0.0000 34502.9496 -148767.3002 301.3228 -183270.2498 -148678.4990 300.0108 -151.7093 -119.9871 558402.6915 13.3625 13.2806 PRESSURE: 3680000 -88.0939 -122.634 172.334 -122.634 -140.078 -87.4551 172.332 -87.4557 -299.173 GPRESSURE: 3680000 -24.3135 -154.183 174.342 -105.668 -121.614 -75.0696 133.11 -66.8578 -285.834 PRESSAVG: 3680000 -4.429 -51.8798 -72.0511 -51.8799 -46.9926 -37.7795 -72.0511 -37.7795 15.0149 GPRESSAVG: 3680000 -5.26149 -53.5529 -71.9685 -50.9586 -47.1778 -35.5952 -72.5811 -38.3464 15.508 TIMING: 3680000 CPU: 10948, 0.00291266/step Wall: 10948, 0.00291266/step, 1.06798 hours remaining, 207.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3680000 729.9924 2131.8864 1957.9796 116.7177 -206012.9992 17664.7722 0.0000 0.0000 34529.3093 -148882.3415 301.5530 -183411.6508 -148783.1663 300.7450 -175.7817 -143.9208 558702.6510 -12.1356 -12.3104 PRESSURE: 3680200 93.6708 -15.4916 -138.024 -15.4905 -184.639 -165.923 -138.024 -165.922 124.802 GPRESSURE: 3680200 100.402 -116.583 -92.1121 12.9472 -146.866 -193.793 -177.679 -111.868 162.959 PRESSAVG: 3680200 14.84 -83.9548 -62.496 -83.9548 4.5781 17.4419 -62.496 17.442 -42.7138 GPRESSAVG: 3680200 15.2851 -85.2608 -60.7074 -83.5427 5.81832 16.5719 -62.6764 18.5932 -43.9415 TIMING: 3680200 CPU: 10948.6, 0.00292797/step Wall: 10948.6, 0.00292797/step, 1.07343 hours remaining, 207.765625 MB of memory in use. ENERGY: 3680200 743.7684 2137.6384 1955.2754 106.6382 -206270.8101 17856.4068 0.0000 0.0000 34431.2268 -149039.8562 300.6965 -183471.0829 -148939.5019 299.6562 11.2778 38.8316 557788.6006 -7.7652 -7.6127 LDB: ============= START OF LOAD BALANCING ============== 10952.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10952.2 LDB: =============== DONE WITH MIGRATION ================ 10952.2 LDB: ============= START OF LOAD BALANCING ============== 10952.5 LDB: Largest compute 4796 load 0.024035 is 20.3% of average load 0.118234 LDB: Average compute 0.001732 is 1.5% of average load 0.118234 LDB: TIME 10952.5 LOAD: AVG 0.118234 MAX 0.196407 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.512 MB LDB: TIME 10952.5 LOAD: AVG 0.118234 MAX 0.196407 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.582 MB LDB: TIME 10952.5 LOAD: AVG 0.118234 MAX 0.196407 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.582 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10952.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10952.5 PRESSURE: 3680400 236.998 56.292 -14.637 56.2915 -1.27123 53.1092 -14.638 53.1087 44.217 GPRESSURE: 3680400 283.75 105.614 -22.8577 35.8907 7.40315 62.7476 16.9767 155.166 80.7113 PRESSAVG: 3680400 31.2243 -1.1851 -15.6538 -1.18503 14.1984 34.5141 -15.6538 34.514 -64.101 GPRESSAVG: 3680400 31.9478 1.15716 -16.6679 -1.60654 12.9922 34.5407 -15.1454 34.4107 -63.0271 TIMING: 3680400 CPU: 10949.2, 0.00299232/step Wall: 10949.2, 0.00299232/step, 1.09685 hours remaining, 208.335938 MB of memory in use. ENERGY: 3680400 757.3415 2094.1690 1967.3375 112.5794 -206583.3411 18154.2439 0.0000 0.0000 34522.8589 -148974.8110 301.4967 -183497.6698 -148876.5846 300.0317 93.3146 123.9548 557435.2484 -6.2261 -6.0290 PRESSURE: 3680600 -88.3145 88.0573 119.064 88.0571 80.2404 19.59 119.064 19.591 285.828 GPRESSURE: 3680600 0.36035 89.4656 14.0309 41.2544 89.9768 23.9643 90.9242 -18.1061 275.446 PRESSAVG: 3680600 39.0197 9.75978 -10.5688 9.75973 37.3661 0.35045 -10.5689 0.3504 -24.1799 GPRESSAVG: 3680600 38.8084 7.89013 -10.795 10.6046 37.7798 -1.52919 -11.3062 1.21743 -23.9507 TIMING: 3680600 CPU: 10949.8, 0.00292541/step Wall: 10949.8, 0.00292541/step, 1.07216 hours remaining, 208.539062 MB of memory in use. ENERGY: 3680600 741.0933 2124.8454 1972.2770 111.7351 -206469.4568 18059.4253 0.0000 0.0000 34250.0802 -149210.0005 299.1145 -183460.0807 -149121.0802 299.5734 92.5845 121.9276 559433.1538 17.4019 17.5458 PRESSURE: 3680800 -67.697 -81.9245 -9.57783 -81.9238 78.2372 99.7904 -9.57871 99.7902 -116.977 GPRESSURE: 3680800 -77.4276 -103.619 -5.55285 -31.063 47.1174 72.178 -74.2599 97.9729 20.8907 PRESSAVG: 3680800 8.36262 -18.5489 29.2485 -18.5488 -19.7659 35.9903 29.2486 35.9903 -4.26763 GPRESSAVG: 3680800 7.78188 -17.3728 30.5931 -20.225 -20.2207 35.3661 28.9128 36.03 -3.03154 TIMING: 3680800 CPU: 10950.4, 0.00291906/step Wall: 10950.4, 0.00291906/step, 1.06967 hours remaining, 208.539062 MB of memory in use. ENERGY: 3680800 722.9600 2128.8850 1964.5723 116.8632 -206219.4657 17907.8068 0.0000 0.0000 34098.7053 -149279.6731 297.7925 -183378.3784 -149186.5494 298.9758 -35.4790 -3.1399 557406.1123 -5.2236 -5.1568 PRESSURE: 3681000 -152.641 -26.6219 3.11717 -26.6201 -300.633 155.743 3.11689 155.742 -128.804 GPRESSURE: 3681000 -118.388 130.944 76.4235 27.102 -269.563 162.887 75.2145 164.783 -116.542 PRESSAVG: 3681000 52.6077 -31.4348 -3.05154 -31.4348 -50.3884 33.3929 -3.0515 33.393 -10.8949 GPRESSAVG: 3681000 52.8343 -32.4832 -4.30746 -30.2367 -49.1761 34.3564 -2.79083 34.1853 -12.9011 TIMING: 3681000 CPU: 10951, 0.00293027/step Wall: 10951, 0.00293027/step, 1.07362 hours remaining, 208.539062 MB of memory in use. ENERGY: 3681000 738.6820 2082.8646 1968.0481 113.9392 -205992.3429 17422.5557 0.0000 0.0000 34372.4320 -149293.8213 300.1830 -183666.2533 -149189.7710 299.1276 -194.0260 -168.1645 556517.8586 -2.8919 -3.0810 PRESSURE: 3681200 -66.6193 -24.4551 194.211 -24.4556 -190.986 -6.19285 194.21 -6.19451 148.73 GPRESSURE: 3681200 23.3603 11.9076 177.303 -42.0566 -209.428 14.5835 121.208 -106.201 176.647 PRESSAVG: 3681200 121.307 15.5031 26.8765 15.5031 28.7226 1.75413 26.8764 1.75411 -76.7963 GPRESSAVG: 3681200 121.989 16.3721 27.4635 15.3347 27.2206 1.40388 27.2867 -0.480926 -76.092 TIMING: 3681200 CPU: 10951.6, 0.00292529/step Wall: 10951.6, 0.00292528/step, 1.07163 hours remaining, 208.539062 MB of memory in use. ENERGY: 3681200 748.2161 2064.4337 1935.6013 127.7267 -206072.1138 17736.9898 0.0000 0.0000 34289.5850 -149169.5612 299.4595 -183459.1462 -149076.6728 299.1178 -36.2917 -3.1400 556648.4733 24.4112 24.3725 PRESSURE: 3681400 -92.4633 -69.2351 -75.1864 -69.235 -97.7554 18.7218 -75.1872 18.7213 52.5033 GPRESSURE: 3681400 -80.7435 -8.16025 -77.6368 -125.312 -16.9447 19.3382 -110.683 61.0241 61.113 PRESSAVG: 3681400 -93.8956 12.6369 -1.58182 12.637 -54.2808 9.31407 -1.58176 9.31403 118.367 GPRESSAVG: 3681400 -93.1008 9.70457 -2.7569 12.1924 -54.9343 11.0854 0.40949 9.39447 118.375 TIMING: 3681400 CPU: 10952.1, 0.00291866/step Wall: 10952.1, 0.00291866/step, 1.06904 hours remaining, 208.539062 MB of memory in use. ENERGY: 3681400 709.2146 2051.8992 1970.6108 112.9056 -206440.0635 17815.6332 0.0000 0.0000 34400.2094 -149379.5908 300.4256 -183779.8002 -149283.3686 299.3718 -45.9051 -12.1917 557052.4819 -9.9365 -9.8867 PRESSURE: 3681600 -37.0057 42.1808 81.9702 42.1802 -32.4482 32.8056 81.9693 32.8046 -285.017 GPRESSURE: 3681600 -1.82118 61.1697 4.50097 23.7675 -0.778453 67.3984 132.288 33.3119 -245.391 PRESSAVG: 3681600 -5.58736 62.2013 20.4749 62.2012 24.8 14.9066 20.4749 14.9066 -32.0241 GPRESSAVG: 3681600 -5.51986 64.2937 21.3917 63.2371 26.0152 15.7565 20.3404 15.0771 -32.7692 TIMING: 3681600 CPU: 10952.7, 0.00293494/step Wall: 10952.7, 0.00293494/step, 1.07484 hours remaining, 208.539062 MB of memory in use. ENERGY: 3681600 796.9199 2044.6366 1963.6625 108.1079 -206132.6068 17709.7063 0.0000 0.0000 34113.2796 -149396.2940 297.9198 -183509.5736 -149304.5175 298.4834 -118.1570 -82.6636 557983.5976 -4.2705 -4.0913 PRESSURE: 3681800 -83.4463 -95.7361 11.4755 -95.7362 12.1289 -51.7077 11.4774 -51.7054 -89.1082 GPRESSURE: 3681800 -28.2738 -110.609 42.2524 -135.008 24.3741 -59.8226 -40.924 -47.6358 -46.0142 PRESSAVG: 3681800 -18.5424 -81.2385 -40.3733 -81.2387 -24.4645 -6.01442 -40.3733 -6.01451 24.1067 GPRESSAVG: 3681800 -18.3274 -80.3632 -41.0279 -82.4592 -25.0498 -9.0492 -40.4086 -4.99371 24.483 TIMING: 3681800 CPU: 10953.3, 0.00292959/step Wall: 10953.3, 0.00292959/step, 1.07272 hours remaining, 208.539062 MB of memory in use. ENERGY: 3681800 757.2068 2073.4427 1984.9442 109.4303 -205937.5466 17618.7634 0.0000 0.0000 34086.5250 -149307.2342 297.6861 -183393.7592 -149219.1255 298.7200 -53.4752 -16.6380 558329.8063 -6.3001 -6.2981 PRESSURE: 3682000 -73.4934 17.753 0.123443 17.753 -40.3117 -18.3668 0.122878 -18.3664 -2.19675 GPRESSURE: 3682000 -89.9104 150.407 -2.13778 -13.7605 -17.4821 -14.0354 51.4393 -46.4856 91.1073 PRESSAVG: 3682000 -37.4513 1.78481 -39.003 1.78491 55.5873 49.3937 -39.0029 49.3938 -28.7965 GPRESSAVG: 3682000 -39.1139 0.473585 -37.6769 3.6451 56.6366 51.6175 -38.9157 47.4886 -28.2918 TIMING: 3682000 CPU: 10953.9, 0.00292926/step Wall: 10953.9, 0.00292926/step, 1.07244 hours remaining, 208.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3682000 727.8145 2039.5331 1960.7040 106.2660 -206325.2272 17732.0469 0.0000 0.0000 34421.2686 -149337.5941 300.6095 -183758.8627 -149237.7172 298.8292 -38.6673 -5.4284 558745.7403 -3.5535 -3.5897 PRESSURE: 3682200 21.7 109.863 73.5716 109.863 208.224 -32.9943 73.5716 -32.9943 44.0393 GPRESSURE: 3682200 45.9572 48.4316 40.8209 119.413 280.111 -10.4525 9.46251 -8.7679 55.9499 PRESSAVG: 3682200 -54.3174 -0.999619 -9.14586 -0.999702 42.3651 13.9697 -9.1458 13.9696 31.7738 GPRESSAVG: 3682200 -54.0038 -0.561082 -11.0133 -0.826801 41.5738 12.4275 -8.71284 15.0578 32.0175 TIMING: 3682200 CPU: 10954.5, 0.00291664/step Wall: 10954.5, 0.00291664/step, 1.06765 hours remaining, 208.539062 MB of memory in use. ENERGY: 3682200 728.2788 2029.1106 1969.0175 118.3327 -206553.2196 18101.1368 0.0000 0.0000 34163.2838 -149444.0592 298.3565 -183607.3431 -149343.8527 298.8452 91.3211 127.3394 556644.3928 6.6072 6.5292 PRESSURE: 3682400 -374.075 104.517 21.068 104.517 -192.262 -12.894 21.069 -12.893 -62.5324 GPRESSURE: 3682400 -322.273 53.793 12.3876 166.452 -155.298 -0.829457 41.5579 -98.0983 -47.3791 PRESSAVG: 3682400 -18.2105 -13.4404 -23.071 -13.4404 13.0675 -39.2958 -23.071 -39.2958 9.34399 GPRESSAVG: 3682400 -18.2567 -14.3462 -21.9188 -14.8817 12.8092 -38.5831 -25.6395 -39.3606 9.51539 TIMING: 3682400 CPU: 10955.1, 0.00293226/step Wall: 10955.1, 0.00293226/step, 1.07321 hours remaining, 208.539062 MB of memory in use. ENERGY: 3682400 789.4317 2065.8150 1960.9450 109.3589 -205961.8128 17400.4019 0.0000 0.0000 34164.8821 -149470.9782 298.3704 -183635.8603 -149377.9161 298.6475 -209.6230 -174.9831 556057.4420 1.4003 1.3560 PRESSURE: 3682600 -52.4755 -181.967 -128.177 -181.968 -36.5129 44.934 -128.178 44.936 140.412 GPRESSURE: 3682600 -18.7255 -194.565 -111.171 -71.1539 29.6609 47.9419 -185.533 -63.4726 147.969 PRESSAVG: 3682600 -23.8036 -9.89055 -23.5288 -9.89057 19.5036 -13.1564 -23.5288 -13.1561 21.8897 GPRESSAVG: 3682600 -23.7529 -9.35863 -23.3263 -10.9568 19.8155 -13.1327 -23.1919 -13.3899 21.6973 TIMING: 3682600 CPU: 10955.7, 0.00291769/step Wall: 10955.7, 0.00291769/step, 1.06771 hours remaining, 208.539062 MB of memory in use. ENERGY: 3682600 768.3425 2089.2559 1913.0849 124.2889 -206584.8229 17914.6606 0.0000 0.0000 34147.1150 -149628.0751 298.2152 -183775.1901 -149534.8610 297.7385 17.1411 52.9682 556214.2997 5.8632 5.9200 PRESSURE: 3682800 -148.952 94.0631 199.578 94.0623 -15.1125 -61.1052 199.577 -61.1049 -294.129 GPRESSURE: 3682800 -103.455 125.732 132.093 25.0089 -19.2247 -38.1181 190.238 -73.2075 -245.851 PRESSAVG: 3682800 38.5612 -23.3258 30.1417 -23.3259 -0.581104 67.2069 30.1417 67.207 -25.9896 GPRESSAVG: 3682800 39.1381 -24.3842 30.48 -21.4982 -2.3803 65.9579 30.1873 65.8491 -24.9664 TIMING: 3682800 CPU: 10956.2, 0.00290969/step Wall: 10956.2, 0.00290969/step, 1.06462 hours remaining, 208.539062 MB of memory in use. ENERGY: 3682800 788.5151 2103.3784 1948.3211 117.1918 -206467.3417 17829.8480 0.0000 0.0000 34073.1028 -149606.9844 297.5689 -183680.0872 -149520.7672 298.1400 -152.7311 -122.8434 558106.0167 3.9968 3.9305 PRESSURE: 3683000 -120.46 175.152 22.0614 175.152 28.1173 52.715 22.0612 52.7142 -171.473 GPRESSURE: 3683000 -65.8191 126.943 -19.2941 190.002 99.4007 49.9666 71.0363 104.5 -201.058 PRESSAVG: 3683000 25.6413 20.0158 -11.5233 20.0157 66.4752 -22.7771 -11.5233 -22.777 -66.1281 GPRESSAVG: 3683000 26.2119 20.4346 -9.0766 20.3019 66.6121 -23.8922 -13.1155 -19.6491 -66.8288 TIMING: 3683000 CPU: 10956.8, 0.00294564/step Wall: 10956.8, 0.00294564/step, 1.07761 hours remaining, 208.539062 MB of memory in use. ENERGY: 3683000 742.7014 2095.3092 1924.8844 118.1868 -206654.5605 18028.3951 0.0000 0.0000 34239.1514 -149505.9321 299.0190 -183745.0835 -149415.1434 298.2155 -87.9385 -55.8254 558534.9770 8.6628 8.6651 PRESSURE: 3683200 -257.265 8.79731 -37.4828 8.79706 -211.171 -133.068 -37.4819 -133.067 -57.1599 GPRESSURE: 3683200 -230.363 -51.9735 -44.1472 22.9074 -148.105 -124.014 -5.99758 -139.848 -50.1176 PRESSAVG: 3683200 38.9248 57.3326 -6.64823 57.3326 -46.5377 2.80215 -6.64823 2.80225 -9.39641 GPRESSAVG: 3683200 37.5214 57.2126 -9.24111 56.5504 -47.4527 4.37625 -5.71359 0.0907539 -7.48933 TIMING: 3683200 CPU: 10957.4, 0.00295207/step Wall: 10957.4, 0.00295207/step, 1.0798 hours remaining, 208.539062 MB of memory in use. ENERGY: 3683200 723.8832 2062.4758 1943.6933 118.7618 -205933.8143 17501.0725 0.0000 0.0000 34168.1697 -149415.7580 298.3991 -183583.9277 -149319.0476 298.2258 -175.1984 -142.8619 558609.8084 -5.6698 -5.8069 PRESSURE: 3683400 -271.493 15.8852 -8.07137 15.8843 -258.185 -6.34918 -8.07203 -6.35122 -29.2994 GPRESSURE: 3683400 -232.761 30.9011 23.5642 -45.5952 -229.105 -1.68214 -10.3364 -24.7787 -1.61499 PRESSAVG: 3683400 16.148 -12.2143 62.0253 -12.2142 -4.44901 37.8619 62.0253 37.8619 -20.6436 GPRESSAVG: 3683400 17.5976 -12.9764 61.5669 -12.1777 -5.4654 37.2537 61.5977 38.558 -21.0025 TIMING: 3683400 CPU: 10958, 0.00295801/step Wall: 10958, 0.00295801/step, 1.08181 hours remaining, 208.539062 MB of memory in use. ENERGY: 3683400 769.9098 2056.9934 1923.0274 119.1613 -206169.1107 17723.7447 0.0000 0.0000 34199.7003 -149376.5738 298.6745 -183576.2741 -149284.1579 298.3068 -186.3257 -154.4939 558365.1023 -2.9815 -2.9568 PRESSURE: 3683600 -462.633 -3.24198 57.7114 -3.2417 -168.836 -111.379 57.7122 -111.379 -215.059 GPRESSURE: 3683600 -424.59 160.944 135.124 -50.4203 -149.353 -26.6997 66.137 -174.413 -171.252 PRESSAVG: 3683600 49.0108 57.6481 29.6808 57.6482 -8.69526 -50.2861 29.6807 -50.2861 -50.0842 GPRESSAVG: 3683600 49.0533 58.8069 29.8089 57.0563 -6.043 -49.5881 30.4266 -50.979 -52.3137 TIMING: 3683600 CPU: 10958.6, 0.00296352/step Wall: 10958.6, 0.00296352/step, 1.08366 hours remaining, 208.539062 MB of memory in use. ENERGY: 3683600 753.2232 2080.3283 1924.0388 126.0205 -205864.7407 17584.1313 0.0000 0.0000 34150.1009 -149246.8976 298.2413 -183396.9985 -149149.3664 299.3765 -282.1761 -248.3984 559370.4325 -3.2562 -3.1011 PRESSURE: 3683800 -95.0289 -62.1242 -159.381 -62.1248 -185.68 -46.856 -159.38 -46.8576 -310.447 GPRESSURE: 3683800 -49.6047 -147.958 -149.478 -29.3771 -169.949 -73.0019 -169.709 -75.1994 -264.725 PRESSAVG: 3683800 -21.6205 -44.8768 14.668 -44.8768 67.0109 12.433 14.6681 12.433 -72.6428 GPRESSAVG: 3683800 -22.9431 -43.8427 16.4822 -45.9727 67.1641 11.0975 14.344 14.1226 -71.6628 TIMING: 3683800 CPU: 10959.2, 0.00298163/step Wall: 10959.2, 0.00298163/step, 1.09012 hours remaining, 208.539062 MB of memory in use. ENERGY: 3683800 737.2415 2075.0015 1966.2882 109.0196 -205788.9220 17568.9235 0.0000 0.0000 34123.1400 -149209.3078 298.0059 -183332.4477 -149111.1830 299.3361 -197.0520 -161.4264 558736.7722 -9.0842 -9.1473 PRESSURE: 3684000 -102.929 224.381 163.126 224.382 85.3361 -233.462 163.125 -233.463 180.429 GPRESSURE: 3684000 -100.104 261.687 150.57 208.29 98.6104 -296.639 202.12 -222.086 262.922 PRESSAVG: 3684000 40.9365 11.1591 10.01 11.1591 7.10911 -14.053 10.0101 -14.053 -44.9436 GPRESSAVG: 3684000 41.3656 11.4859 8.929 11.5898 7.1778 -13.573 11.1991 -13.5722 -45.2334 TIMING: 3684000 CPU: 10959.8, 0.00297421/step Wall: 10959.8, 0.00297421/step, 1.08724 hours remaining, 208.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3684000 756.2162 2103.9669 1915.2990 106.5002 -206347.9498 17936.5995 0.0000 0.0000 34273.5701 -149255.7980 299.3196 -183529.3681 -149164.2004 299.5511 54.2787 87.1428 557507.5558 1.0340 1.1033 PRESSURE: 3684200 -51.4224 46.6554 69.3487 46.6574 64.6422 44.1299 69.3484 44.1293 -84.9243 GPRESSURE: 3684200 -34.8061 -39.7521 49.7774 62.1188 115.687 106.756 40.7895 9.06796 -54.154 PRESSAVG: 3684200 1.79388 54.9535 26.2593 54.9536 44.9279 13.7041 26.2595 13.704 -0.537999 GPRESSAVG: 3684200 2.91851 55.5272 25.0794 54.439 43.9553 15.0153 26.1762 13.3238 -1.10808 TIMING: 3684200 CPU: 10960.4, 0.00295671/step Wall: 10960.4, 0.00295671/step, 1.08068 hours remaining, 208.539062 MB of memory in use. ENERGY: 3684200 719.3030 2023.5933 1965.6183 108.4613 -205954.4870 17662.9075 0.0000 0.0000 34257.8021 -149216.8017 299.1819 -183474.6038 -149123.0874 299.7396 -23.9015 8.9088 558697.2338 15.3946 15.2553 LDB: ============= START OF LOAD BALANCING ============== 10963.9 LDB: ============== END OF LOAD BALANCING =============== 10963.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10963.9 LDB: ============= START OF LOAD BALANCING ============== 10964.2 LDB: Largest compute 4796 load 0.024188 is 20.4% of average load 0.118339 LDB: Average compute 0.001723 is 1.5% of average load 0.118339 LDB: TIME 10964.2 LOAD: AVG 0.118339 MAX 0.197558 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.832 MB LDB: TIME 10964.2 LOAD: AVG 0.118339 MAX 0.197558 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.891 MB LDB: TIME 10964.2 LOAD: AVG 0.118339 MAX 0.197558 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.891 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10964.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10964.2 PRESSURE: 3684400 -105.39 154.495 -150.253 154.495 24.6472 95.9634 -150.253 95.9635 -118.037 GPRESSURE: 3684400 -53.227 198.488 -59.6223 175.517 1.43266 57.756 -234.846 51.7338 -45.3194 PRESSAVG: 3684400 -19.9334 30.6698 -15.0718 30.6698 33.1549 -3.69394 -15.0718 -3.69396 3.45749 GPRESSAVG: 3684400 -21.0929 26.8808 -11.2871 33.3251 33.5543 -6.53954 -16.2442 -3.75388 4.78236 TIMING: 3684400 CPU: 10961, 0.0030315/step Wall: 10961, 0.0030315/step, 1.10785 hours remaining, 206.031250 MB of memory in use. ENERGY: 3684400 744.1630 2072.3317 1960.9956 98.6920 -206400.2534 17873.9874 0.0000 0.0000 34436.2376 -149213.8461 300.7402 -183650.0837 -149119.6245 299.7065 -66.2601 -32.3712 558103.1260 5.5597 5.7479 PRESSURE: 3684600 -263.052 -27.5112 -6.90924 -27.5103 -6.48445 -136.457 -6.90936 -136.458 -191.885 GPRESSURE: 3684600 -278.346 -2.51587 27.3845 -35.6575 42.3896 -67.4393 125.528 -165.93 -129.859 PRESSAVG: 3684600 -19.8455 -24.7374 -55.0492 -24.7374 -2.48459 -36.2352 -55.0492 -36.2353 6.24199 GPRESSAVG: 3684600 -20.4302 -22.9062 -56.64 -24.6248 -1.13776 -33.7859 -55.3714 -35.8725 4.91001 TIMING: 3684600 CPU: 10961.6, 0.00298847/step Wall: 10961.6, 0.00298847/step, 1.09195 hours remaining, 206.031250 MB of memory in use. ENERGY: 3684600 735.3393 2081.4642 1933.8615 107.7638 -205957.3034 17523.9983 0.0000 0.0000 34252.5338 -149322.3423 299.1359 -183574.8762 -149222.7736 299.1849 -153.8072 -121.9384 558450.8245 -5.3627 -5.5526 PRESSURE: 3684800 104.916 20.8006 89.9772 20.8007 85.7425 56.0557 89.9768 56.0544 -86.1445 GPRESSURE: 3684800 131.241 144.202 156.281 -31.3287 144.052 104.711 78.0658 -7.33435 -82.9983 PRESSAVG: 3684800 -7.98346 -5.81222 18.7977 -5.81217 32.8428 22.0536 18.7976 22.0536 -26.7579 GPRESSAVG: 3684800 -6.67816 -4.9862 17.8994 -7.21035 32.2013 20.098 19.8403 22.8254 -27.7361 TIMING: 3684800 CPU: 10962.2, 0.00300335/step Wall: 10962.2, 0.00300335/step, 1.09722 hours remaining, 206.031250 MB of memory in use. ENERGY: 3684800 707.5444 2073.1022 1927.5445 107.4607 -206347.0032 17922.5866 0.0000 0.0000 34302.8153 -149305.9495 299.5750 -183608.7648 -149203.9804 299.0360 34.8381 64.0983 558499.1154 -0.6328 -0.7377 PRESSURE: 3685000 -206.68 -68.2196 26.4704 -68.2191 4.76574 -79.3796 26.4703 -79.3793 16.6658 GPRESSURE: 3685000 -172.977 -136.732 91.2597 -21.4131 18.8982 -121.739 -18.8217 -71.2573 74.1443 PRESSAVG: 3685000 12.906 -0.294099 -14.3006 -0.294166 -8.08251 62.9782 -14.3005 62.9782 35.8511 GPRESSAVG: 3685000 13.3766 -1.42327 -15.1376 -2.08271 -8.61988 60.9146 -13.6393 64.4966 35.9 TIMING: 3685000 CPU: 10962.8, 0.00298971/step Wall: 10962.8, 0.00298971/step, 1.09207 hours remaining, 206.031250 MB of memory in use. ENERGY: 3685000 739.0049 2065.2332 1949.2021 107.7119 -206254.5818 17695.8710 0.0000 0.0000 34374.9214 -149322.6371 300.2047 -183697.5585 -149222.7154 299.8289 -61.7494 -26.6449 556990.1460 13.5582 13.5523 PRESSURE: 3685200 -574.98 -5.17343 -76.1755 -5.17357 111.707 -178.539 -76.1752 -178.537 -5.50372 GPRESSURE: 3685200 -451.619 -22.0196 -64.1888 12.0782 37.187 -209.07 -66.9358 -149 46.7126 PRESSAVG: 3685200 -84.2291 5.04762 15.0282 5.04764 42.8497 -9.36259 15.0283 -9.36263 24.9956 GPRESSAVG: 3685200 -84.2922 5.61794 15.7719 5.71553 42.3547 -8.70954 13.237 -10.2267 26.1509 TIMING: 3685200 CPU: 10963.4, 0.00294959/step Wall: 10963.4, 0.00294959/step, 1.07726 hours remaining, 206.031250 MB of memory in use. ENERGY: 3685200 769.4230 2087.8864 1938.4457 103.1599 -206098.6492 17775.4023 0.0000 0.0000 34274.2681 -149150.0637 299.3257 -183424.3318 -149052.8129 299.3193 -156.2591 -122.5733 558942.1904 -5.4613 -5.2622 PRESSURE: 3685400 -35.8863 29.1461 -167.265 29.1471 -240.466 -113.549 -167.266 -113.549 -90.9603 GPRESSURE: 3685400 -29.5159 -45.6921 -207.19 83.215 -182.94 -154.441 -167.624 -137.276 -48.599 PRESSAVG: 3685400 -38.8718 -14.7592 19.2188 -14.7591 3.27682 -21.2596 19.2188 -21.2597 31.4785 GPRESSAVG: 3685400 -39.489 -14.5567 18.1213 -15.1543 4.31164 -18.7795 19.6616 -21.9231 30.8994 TIMING: 3685400 CPU: 10964, 0.0029503/step Wall: 10964, 0.0029503/step, 1.07735 hours remaining, 206.031250 MB of memory in use. ENERGY: 3685400 765.1537 2099.0045 1920.9356 111.3878 -205914.8471 17623.2159 0.0000 0.0000 34364.6432 -149030.5064 300.1150 -183395.1497 -148931.4521 299.6309 -122.4376 -87.0184 557643.1710 -1.3722 -1.4260 PRESSURE: 3685600 194.291 -94.1042 16.4725 -94.1035 343.787 127.235 16.4722 127.233 63.857 GPRESSURE: 3685600 254.45 -19.5274 -24.7809 -211.543 365.65 98.2183 60.4607 69.0165 67.4951 PRESSAVG: 3685600 59.151 -25.7256 -16.1859 -25.7256 -0.56866 39.7824 -16.186 39.7825 -19.7172 GPRESSAVG: 3685600 60.0884 -24.918 -14.9918 -26.7142 -0.43748 39.8813 -16.586 39.7851 -20.7064 TIMING: 3685600 CPU: 10964.6, 0.00295561/step Wall: 10964.6, 0.00295561/step, 1.07913 hours remaining, 206.031250 MB of memory in use. ENERGY: 3685600 760.8026 2116.9521 1924.7231 110.2537 -206427.7848 18174.6684 0.0000 0.0000 34253.8983 -149086.4866 299.1478 -183340.3848 -148990.2560 300.0258 200.6451 229.1986 558155.3413 12.9550 12.9815 PRESSURE: 3685800 -210.863 -79.5215 238.73 -79.5219 -302.368 -95.8631 238.73 -95.8637 42.3825 GPRESSURE: 3685800 -171.808 -25.5228 248.57 -39.2945 -272.665 -104.421 229.764 -29.0403 71.404 PRESSAVG: 3685800 34.0062 -6.76233 -27.1457 -6.7623 1.22562 1.03363 -27.1459 1.03365 35.4657 GPRESSAVG: 3685800 31.5682 -6.71469 -27.6843 -5.12858 0.542111 1.12012 -26.719 1.72101 37.8218 TIMING: 3685800 CPU: 10965.2, 0.00298273/step Wall: 10965.2, 0.00298273/step, 1.08886 hours remaining, 206.031250 MB of memory in use. ENERGY: 3685800 745.4841 2090.4264 1935.5557 115.3686 -205731.6877 17540.8928 0.0000 0.0000 34040.7275 -149263.2325 297.2861 -183303.9600 -149159.0601 300.0744 -156.9494 -124.3561 559452.6957 23.5658 23.3107 PRESSURE: 3686000 170.327 -74.2304 -134.25 -74.2308 -106.619 32.7017 -134.249 32.7002 438.58 GPRESSURE: 3686000 186.328 -56.7747 -120.582 -159.577 -56.6259 1.26851 -94.9168 94.6978 464.747 PRESSAVG: 3686000 -12.7608 31.5172 -48.9457 31.5173 -26.9721 7.64887 -48.9456 7.64878 71.2161 GPRESSAVG: 3686000 -11.0592 31.9631 -49.1311 30.8295 -27.7699 6.34627 -50.3608 7.93618 70.8738 TIMING: 3686000 CPU: 10965.7, 0.00293777/step Wall: 10965.7, 0.00293777/step, 1.07229 hours remaining, 206.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3686000 748.7269 2081.0824 1911.6657 103.8906 -206842.0803 18186.8280 0.0000 0.0000 34428.9947 -149380.8921 300.6770 -183809.8868 -149280.6400 299.1050 167.4293 198.1498 557710.3855 10.4944 10.6816 PRESSURE: 3686200 -45.4225 -10.4113 -16.8819 -10.4109 -79.5961 -21.3201 -16.8807 -21.3197 112.09 GPRESSURE: 3686200 14.3054 -105.083 29.5242 59.1147 -58.8878 57.4273 120.442 -86.4676 131.065 PRESSAVG: 3686200 29.8421 21.8728 -16.6402 21.8728 -52.1684 -13.9166 -16.6401 -13.9168 78.6378 GPRESSAVG: 3686200 29.5675 19.8832 -14.5926 24.7494 -51.8957 -13.9183 -17.0714 -13.878 78.5967 TIMING: 3686200 CPU: 10966.3, 0.00294425/step Wall: 10966.3, 0.00294425/step, 1.07449 hours remaining, 206.031250 MB of memory in use. ENERGY: 3686200 748.7376 2077.0393 1931.7903 111.4853 -206234.6706 17808.4453 0.0000 0.0000 34095.0398 -149462.1330 297.7605 -183557.1728 -149369.3203 298.5933 -4.3095 28.8277 557347.0680 18.7705 18.7562 PRESSURE: 3686400 110.736 56.6548 125.656 56.6549 -35.4021 33.2438 125.656 33.2434 31.0983 GPRESSURE: 3686400 115.394 52.478 70.6524 104.469 47.0592 62.6511 99.7378 115.042 46.8899 PRESSAVG: 3686400 7.14849 2.13477 27.7631 2.13476 -31.1901 14.9108 27.7631 14.9107 1.07515 GPRESSAVG: 3686400 7.03959 1.98226 25.3283 1.99132 -31.4494 16.841 30.0545 13.2879 1.07117 TIMING: 3686400 CPU: 10966.9, 0.00294168/step Wall: 10966.9, 0.00294168/step, 1.07339 hours remaining, 206.031250 MB of memory in use. ENERGY: 3686400 730.7326 2085.6462 1931.0951 113.8664 -206753.7335 18030.5105 0.0000 0.0000 34232.3300 -149629.5526 298.9595 -183861.8826 -149530.1941 298.5892 35.4774 69.7809 557343.1042 -7.6555 -7.7795 PRESSURE: 3686600 -10.8161 -154.649 -71.8238 -154.649 -74.5115 80.2454 -71.825 80.2463 60.9916 GPRESSURE: 3686600 53.7694 -123.672 -118.528 -186.311 -38.8303 45.3022 32.281 143.075 57.6896 PRESSAVG: 3686600 9.97285 -18.6817 14.2661 -18.6817 -0.232087 6.58059 14.2661 6.58067 -39.5624 GPRESSAVG: 3686600 9.36865 -17.0541 15.2653 -21.1182 0.547031 5.41627 13.2104 7.03854 -39.5046 TIMING: 3686600 CPU: 10967.5, 0.0029348/step Wall: 10967.5, 0.0029348/step, 1.07071 hours remaining, 206.031250 MB of memory in use. ENERGY: 3686600 779.5251 2077.4018 1912.9585 113.0803 -206584.4341 17888.9769 0.0000 0.0000 34305.7767 -149506.7148 299.6009 -183812.4915 -149413.6172 298.6677 -8.1120 24.2096 557021.2337 -9.9406 -9.8630 PRESSURE: 3686800 124.942 -147.358 -18.0012 -147.359 -122.968 -144.042 -18.0015 -144.041 -7.09916 GPRESSURE: 3686800 130.682 -117.557 -2.56706 -85.3478 -86.3756 -97.5721 -77.1287 -177.179 39.5495 PRESSAVG: 3686800 -53.8223 -6.69938 -24.9663 -6.69937 11.6671 45.6138 -24.9662 45.6138 33.379 GPRESSAVG: 3686800 -54.2672 -7.40498 -26.9074 -6.50516 11.5285 45.2773 -22.832 46.9044 33.7688 TIMING: 3686800 CPU: 10968.1, 0.00290665/step Wall: 10968.1, 0.00290665/step, 1.06028 hours remaining, 206.031250 MB of memory in use. ENERGY: 3686800 716.3531 2098.5213 1949.2404 117.0278 -206134.4927 17732.5282 0.0000 0.0000 34073.3596 -149447.4622 297.5711 -183520.8218 -149347.1681 298.6290 -1.7086 27.9520 556677.7103 -2.9254 -2.9900 PRESSURE: 3687000 -11.9889 -43.4212 -75.3209 -43.4219 -91.6866 39.6275 -75.321 39.6274 54.2252 GPRESSURE: 3687000 23.648 40.3937 -53.2596 -72.3823 -30.5758 -5.76121 -102.077 33.092 48.7315 PRESSAVG: 3687000 -25.1439 30.6341 -0.989156 30.6343 3.03201 -25.0405 -0.98913 -25.0405 -6.34354 GPRESSAVG: 3687000 -23.8269 31.08 1.90431 31.1152 1.93044 -25.3996 -3.68383 -25.175 -6.59144 TIMING: 3687000 CPU: 10968.7, 0.00292632/step Wall: 10968.7, 0.00292632/step, 1.06729 hours remaining, 206.031250 MB of memory in use. ENERGY: 3687000 739.7563 2085.8060 1923.6994 109.8064 -206667.6514 17992.4328 0.0000 0.0000 34255.8652 -149560.2853 299.1650 -183816.1505 -149459.5761 299.0331 -16.4834 13.9345 556548.7735 -9.4852 -9.4960 PRESSURE: 3687200 9.53212 53.4428 -6.00206 53.4431 56.1246 -43.0324 -6.00254 -43.0323 61.4385 GPRESSURE: 3687200 61.9999 101.336 -85.4255 63.578 107.012 -61.0422 -58.1059 -26.8848 58.3352 PRESSAVG: 3687200 -44.4989 -5.29867 14.149 -5.29865 40.462 -10.2916 14.1491 -10.2917 22.3066 GPRESSAVG: 3687200 -45.7515 -4.69942 12.4297 -6.37337 41.7514 -11.4976 14.8753 -9.68043 22.7039 TIMING: 3687200 CPU: 10969.3, 0.00291786/step Wall: 10969.3, 0.00291786/step, 1.06404 hours remaining, 206.031250 MB of memory in use. ENERGY: 3687200 730.0247 2102.6803 1921.0602 112.4330 -206530.4030 18094.6120 0.0000 0.0000 34132.2573 -149437.3354 298.0855 -183569.5927 -149345.5096 299.3570 42.3651 75.7825 557092.4367 6.0899 6.2346 PRESSURE: 3687400 -138.553 24.98 -120.875 24.9793 116.11 75.5051 -120.875 75.5053 290.222 GPRESSURE: 3687400 -156.12 12.6078 -84.5728 -6.82962 162.619 138.835 -196.681 21.7066 342.956 PRESSAVG: 3687400 -14.3558 14.133 -20.4687 14.1329 32.3996 -14.8088 -20.4688 -14.8088 -17.157 GPRESSAVG: 3687400 -13.061 12.3173 -19.0585 15.0284 31.5299 -13.7215 -21.6786 -14.8919 -18.1393 TIMING: 3687400 CPU: 10969.8, 0.00291338/step Wall: 10969.8, 0.00291338/step, 1.06225 hours remaining, 206.031250 MB of memory in use. ENERGY: 3687400 708.6374 2118.1711 1954.7910 109.7756 -206295.8026 18065.0218 0.0000 0.0000 33974.4592 -149364.9465 296.7074 -183339.4057 -149265.3026 298.6861 89.2593 116.4850 559621.2303 0.2956 0.1099 PRESSURE: 3687600 -307.242 98.9189 -6.51484 98.9181 161.939 31.6855 -6.51484 31.6865 -123.728 GPRESSURE: 3687600 -253.48 86.6376 -1.84134 104.729 201.198 -28.4245 -37.3566 -0.104372 -121.902 PRESSAVG: 3687600 -79.9583 49.8538 13.1926 49.8538 34.8709 -8.00781 13.1926 -8.00782 31.9148 GPRESSAVG: 3687600 -80.9779 50.0173 12.0399 48.0694 34.2579 -7.64848 15.4494 -7.96945 33.2547 TIMING: 3687600 CPU: 10970.4, 0.0029385/step Wall: 10970.4, 0.0029385/step, 1.07125 hours remaining, 206.031250 MB of memory in use. ENERGY: 3687600 739.5173 2050.7610 1948.5131 115.3062 -206052.1852 17747.0496 0.0000 0.0000 34100.5572 -149350.4808 297.8086 -183451.0380 -149249.8888 298.5924 -89.6769 -58.0613 559837.3556 -4.3909 -4.4884 PRESSURE: 3687800 -220.493 -2.08414 -108.885 -2.08531 35.8206 -73.5751 -108.884 -73.5747 -310.661 GPRESSURE: 3687800 -140.096 -15.4136 -155.18 17.1367 56.1988 -37.3874 -122.646 -43.98 -324.68 PRESSAVG: 3687800 -59.5813 -2.526 -1.69292 -2.52596 36.8494 -46.516 -1.6928 -46.516 53.6723 GPRESSAVG: 3687800 -58.6425 -3.31159 0.138019 0.123258 36.9324 -46.0238 -2.9905 -48.0402 52.9166 TIMING: 3687800 CPU: 10971, 0.00292987/step Wall: 10971, 0.00292987/step, 1.06794 hours remaining, 206.031250 MB of memory in use. ENERGY: 3687800 748.5857 2078.1374 1938.2592 109.7325 -206287.7271 17811.3302 0.0000 0.0000 34360.6143 -149241.0678 300.0798 -183601.6822 -149140.3286 298.7504 -165.1112 -136.1925 559509.9089 10.3135 10.4022 PRESSURE: 3688000 119.544 -126.103 9.95649 -126.104 153.587 -176.393 9.95574 -176.394 -157.442 GPRESSURE: 3688000 167.259 -163.483 33.8589 -94.5397 103.972 -183.643 -1.01959 -112.737 -50.7143 PRESSAVG: 3688000 -12.7418 35.2283 -20.1468 35.2283 -33.3007 -92.1097 -20.1468 -92.1097 -10.1193 GPRESSAVG: 3688000 -12.7206 35.6207 -19.0011 35.4998 -34.3289 -90.5199 -20.442 -93.0859 -9.78109 TIMING: 3688000 CPU: 10971.6, 0.002935/step Wall: 10971.6, 0.002935/step, 1.06964 hours remaining, 206.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3688000 758.2795 2144.8199 1955.6220 117.1516 -206431.0316 17995.4136 0.0000 0.0000 34177.9234 -149281.8217 298.4843 -183459.7451 -149187.6290 298.7152 38.5630 73.5055 557573.1609 -18.7206 -18.9435 PRESSURE: 3688200 -277.769 -199.878 -25.1841 -199.879 -101.42 -66.2362 -25.1832 -66.2352 -93.2296 GPRESSURE: 3688200 -280.586 -279.335 -36.3066 -142.588 -48.091 -5.10624 16.2057 -111.367 -45.4705 PRESSAVG: 3688200 -39.3326 -8.43988 30.0342 -8.43976 45.9722 -35.5933 30.0342 -35.5933 12.3005 GPRESSAVG: 3688200 -39.8274 -9.69439 25.9256 -9.28358 46.4589 -37.4159 33.8123 -34.6485 12.6809 TIMING: 3688200 CPU: 10972.2, 0.00293809/step Wall: 10972.2, 0.00293809/step, 1.07061 hours remaining, 206.031250 MB of memory in use. ENERGY: 3688200 729.6960 2074.4411 1942.9063 111.1878 -206248.0142 17817.2044 0.0000 0.0000 34259.2776 -149313.3009 299.1948 -183572.5785 -149214.9850 298.6968 -157.4731 -124.7158 558162.0368 6.3134 6.4375 LDB: ============= START OF LOAD BALANCING ============== 10975.7 LDB: ============== END OF LOAD BALANCING =============== 10975.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10975.7 LDB: ============= START OF LOAD BALANCING ============== 10976 LDB: Largest compute 4796 load 0.025669 is 21.7% of average load 0.118248 LDB: Average compute 0.001732 is 1.5% of average load 0.118248 LDB: TIME 10976 LOAD: AVG 0.118248 MAX 0.197934 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.055 MB LDB: TIME 10976 LOAD: AVG 0.118248 MAX 0.197934 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.258 MB LDB: TIME 10976 LOAD: AVG 0.118248 MAX 0.197934 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.258 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10976 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10976 PRESSURE: 3688400 -182.24 -146.027 69.0435 -146.026 29.2973 -209.415 69.0427 -209.415 19.803 GPRESSURE: 3688400 -96.6636 -106.159 29.951 -95.0318 75.3574 -289.682 100.212 -152.899 -8.76291 PRESSAVG: 3688400 -59.9309 -74.2975 13.157 -74.2975 61.0296 -23.3969 13.157 -23.3969 -4.3885 GPRESSAVG: 3688400 -59.9323 -74.2721 15.442 -73.8111 62.2336 -21.8022 9.98777 -21.5316 -5.55464 TIMING: 3688400 CPU: 10972.8, 0.00303975/step Wall: 10972.8, 0.00303975/step, 1.10748 hours remaining, 206.542969 MB of memory in use. ENERGY: 3688400 756.4576 2059.8937 1939.9856 128.0333 -205998.0305 17803.7504 0.0000 0.0000 34269.1713 -149040.7386 299.2812 -183309.9098 -148949.7532 298.8443 -44.3798 -10.0230 558970.6915 -1.0966 -1.0844 PRESSURE: 3688600 -35.2135 49.2293 27.9441 49.2295 -68.6474 12.3987 27.9451 12.3965 7.84198 GPRESSURE: 3688600 -33.1359 -1.61869 18.3185 59.6611 13.5008 -19.3606 79.0708 81.2253 35.0786 PRESSAVG: 3688600 26.8708 6.42592 39.8679 6.42594 -29.3135 -75.4074 39.8678 -75.4073 -39.0394 GPRESSAVG: 3688600 27.4628 7.43331 39.8299 5.04996 -29.7306 -76.967 41.2245 -74.4633 -39.3495 TIMING: 3688600 CPU: 10973.4, 0.00294735/step Wall: 10973.4, 0.00294735/step, 1.07365 hours remaining, 206.542969 MB of memory in use. ENERGY: 3688600 715.1832 2038.9183 1960.3870 116.1885 -205956.9983 17654.0616 0.0000 0.0000 34370.2833 -149101.9764 300.1642 -183472.2597 -149001.3567 299.9827 -32.0063 5.1478 557151.6343 -13.8274 -13.8724 PRESSURE: 3688800 175.388 -74.9469 117.363 -74.9456 14.6174 -14.9342 117.363 -14.934 -124.482 GPRESSURE: 3688800 178.772 -118.512 177.527 -43.349 -5.90285 5.21906 108.765 -58.1725 -6.15143 PRESSAVG: 3688800 52.0337 -65.1278 1.08136 -65.1277 -2.63737 -36.0303 1.08132 -36.0302 21.5599 GPRESSAVG: 3688800 51.5444 -66.2422 3.54464 -62.9586 -2.67957 -37.3636 0.12195 -37.2828 22.3733 TIMING: 3688800 CPU: 10974, 0.00293863/step Wall: 10974, 0.00293863/step, 1.07031 hours remaining, 206.542969 MB of memory in use. ENERGY: 3688800 713.0196 2053.2463 1969.9473 95.1087 -205853.7971 17784.8357 0.0000 0.0000 34297.4679 -148940.1717 299.5283 -183237.6396 -148849.9755 300.0588 21.8413 55.5726 557635.9748 23.6521 23.7460 PRESSURE: 3689000 152.412 -67.7115 -59.8757 -67.7127 290.454 91.5749 -59.8752 91.5748 18.8072 GPRESSURE: 3689000 234.086 -11.2159 12.6659 -102.332 296.143 118.182 -84.5403 10.4031 31.8819 PRESSAVG: 3689000 -14.5366 -35.3023 68.8734 -35.3023 47.555 25.3602 68.8735 25.3604 0.0286897 GPRESSAVG: 3689000 -15.0327 -32.0119 66.8511 -38.0839 47.5063 27.209 69.2493 24.681 0.441544 TIMING: 3689000 CPU: 10974.6, 0.00296066/step Wall: 10974.6, 0.00296066/step, 1.07817 hours remaining, 206.542969 MB of memory in use. ENERGY: 3689000 726.2134 2082.9108 1959.7517 113.2746 -206393.4563 17948.2262 0.0000 0.0000 34444.4120 -149118.6675 300.8116 -183563.0796 -149023.0800 300.2522 153.8910 187.3703 556673.0130 11.0157 10.9717 PRESSURE: 3689200 92.9442 -92.1783 -86.1627 -92.1787 -66.8208 31.5637 -86.1626 31.5614 5.04383 GPRESSURE: 3689200 132.08 -143.928 -88.3357 -85.0325 7.74556 63.9512 -33.6896 -8.97588 18.202 PRESSAVG: 3689200 52.372 -32.7676 0.488148 -32.7676 -16.5242 1.58641 0.488121 1.58641 -41.2824 GPRESSAVG: 3689200 53.439 -34.2085 -0.318793 -30.4954 -16.2471 2.03856 -1.06686 2.92461 -42.6031 TIMING: 3689200 CPU: 10975.2, 0.0029383/step Wall: 10975.2, 0.0029383/step, 1.06987 hours remaining, 206.542969 MB of memory in use. ENERGY: 3689200 726.5862 2095.2531 1971.1855 111.4512 -206058.2234 17980.7891 0.0000 0.0000 34174.4212 -148998.5371 298.4537 -183172.9582 -148900.8077 300.0314 10.3891 52.6757 558450.4949 -1.8115 -1.8037 PRESSURE: 3689400 -350.014 63.6728 46.5246 63.674 -16.8052 -38.6571 46.5243 -38.6583 -452.266 GPRESSURE: 3689400 -304.612 183.521 13.9987 22.7803 -10.6555 37.6356 77.1372 -94.0841 -404.063 PRESSAVG: 3689400 -46.9952 -21.9355 -68.7059 -21.9356 126.017 -22.7603 -68.7058 -22.7601 -66.3684 GPRESSAVG: 3689400 -47.1712 -20.1169 -69.6597 -23.5224 126.606 -24.4739 -66.3921 -23.5226 -66.606 TIMING: 3689400 CPU: 10975.7, 0.00294067/step Wall: 10975.7, 0.00294067/step, 1.07057 hours remaining, 206.542969 MB of memory in use. ENERGY: 3689400 789.6314 2062.1531 1951.2557 116.0362 -205920.2729 17554.9103 0.0000 0.0000 34403.9828 -149042.3034 300.4585 -183446.2862 -148943.0240 299.7700 -273.0285 -239.7768 558896.5762 4.2177 4.2762 PRESSURE: 3689600 -141.789 -309.434 -157.426 -309.435 -136.047 -51.7494 -157.427 -51.7486 -253.797 GPRESSURE: 3689600 -128.784 -196.273 -235.832 -337.679 -105.542 -34.0231 -97.5781 -4.19383 -194.115 PRESSAVG: 3689600 43.0873 -11.4184 42.3682 -11.4183 -20.7711 -26.9156 42.3682 -26.9158 -1.24922 GPRESSAVG: 3689600 43.0293 -12.2749 45.3287 -9.59008 -22.0049 -26.0883 39.2858 -27.8277 0.201795 TIMING: 3689600 CPU: 10976.3, 0.00293157/step Wall: 10976.3, 0.00293157/step, 1.06709 hours remaining, 206.542969 MB of memory in use. ENERGY: 3689600 804.1234 2067.3634 1982.6178 117.1366 -206006.5635 17722.1403 0.0000 0.0000 34419.4690 -148893.7129 300.5938 -183313.1819 -148791.0522 299.7721 -177.2111 -142.8137 558090.6352 7.0223 7.0754 PRESSURE: 3689800 -110.268 -14.6655 -117.006 -14.6651 -48.6666 -72.4808 -117.005 -72.4805 -175.258 GPRESSURE: 3689800 -73.8945 17.6004 -140.989 -27.845 -37.1824 -98.5042 -36.2486 -21.6701 -119.82 PRESSAVG: 3689800 -24.1532 -71.4576 -63.4557 -71.4577 32.6701 -40.8459 -63.4557 -40.8458 -30.997 GPRESSAVG: 3689800 -23.4874 -72.6494 -65.4682 -71.6894 31.648 -40.7463 -61.6544 -41.0773 -30.9606 TIMING: 3689800 CPU: 10976.9, 0.00292765/step Wall: 10976.9, 0.00292765/step, 1.0655 hours remaining, 206.542969 MB of memory in use. ENERGY: 3689800 748.0245 2120.6165 1976.6746 110.5534 -205609.3843 17547.1310 0.0000 0.0000 34386.5111 -148719.8731 300.3060 -183106.3842 -148615.8957 300.9657 -111.3974 -76.9657 557895.8077 -7.4934 -7.6000 PRESSURE: 3690000 29.2003 104.321 32.3637 104.32 -125.824 -87.4495 32.3642 -87.4504 147.513 GPRESSURE: 3690000 29.7814 28.691 -2.01874 131.979 -75.0472 -87.9039 10.9809 -54.0751 195.126 PRESSAVG: 3690000 -10.8061 14.714 -2.34855 14.7139 -40.3708 -25.4785 -2.34855 -25.4785 41.9761 GPRESSAVG: 3690000 -12.5359 14.638 -4.45384 13.6359 -39.1404 -25.0644 -1.36949 -24.9433 42.4425 TIMING: 3690000 CPU: 10977.5, 0.00291021/step Wall: 10977.5, 0.00291021/step, 1.05899 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3690000 723.5098 2109.1970 1951.0299 117.4918 -205599.0437 17559.0295 0.0000 0.0000 34432.2220 -148706.5636 300.7052 -183138.7856 -148610.8577 300.7461 16.9630 49.9533 556349.7925 -3.0669 -3.0779 PRESSURE: 3690200 -33.3656 -117.227 -94.5805 -117.226 164.421 31.1435 -94.5815 31.1438 65.758 GPRESSURE: 3690200 41.3408 -70.6343 -24.9623 -116.093 172.859 95.9454 -55.7188 0.33668 79.6076 PRESSAVG: 3690200 -80.2685 -40.6453 -31.2289 -40.6452 54.2335 -44.3505 -31.229 -44.3505 17.2746 GPRESSAVG: 3690200 -77.9895 -39.6177 -29.1689 -41.2403 53.0285 -42.4594 -31.2749 -45.4028 16.5241 TIMING: 3690200 CPU: 10978.1, 0.0028958/step Wall: 10978.1, 0.0028958/step, 1.05359 hours remaining, 206.542969 MB of memory in use. ENERGY: 3690200 746.4793 2092.9504 1942.7051 116.5009 -206018.1615 17815.1603 0.0000 0.0000 34655.5889 -148648.7766 302.6559 -183304.3655 -148552.6295 300.6543 65.6045 97.9357 557295.5818 -2.9201 -2.8123 PRESSURE: 3690400 195.816 136.181 5.66306 136.181 -46.8625 -29.9381 5.66376 -29.9375 357.025 GPRESSURE: 3690400 159.106 108.775 75.9812 208.892 3.41588 -76.575 -94.9269 89.4049 437.904 PRESSAVG: 3690400 -12.2072 3.87796 -59.8944 3.87802 35.5981 10.0177 -59.8944 10.0176 8.42399 GPRESSAVG: 3690400 -13.1264 2.09573 -59.0494 5.41899 36.4126 6.79389 -60.9119 13.5592 8.64719 TIMING: 3690400 CPU: 10978.7, 0.00290207/step Wall: 10978.7, 0.00290207/step, 1.05571 hours remaining, 206.542969 MB of memory in use. ENERGY: 3690400 745.6042 2133.1535 1925.5941 106.6163 -206098.0638 18000.8529 0.0000 0.0000 34514.6601 -148671.5828 301.4251 -183186.2428 -148570.1993 300.2059 168.6596 200.1420 557120.0219 10.6050 10.6445 PRESSURE: 3690600 -273.842 -87.4462 3.15537 -87.4457 -224.877 -83.453 3.15556 -83.4536 95.1776 GPRESSURE: 3690600 -272.522 -108.966 107.832 -147.492 -206.787 -118.666 8.13562 -81.8317 182.275 PRESSAVG: 3690600 -39.1361 25.4065 15.8575 25.4065 -34.7553 -12.1194 15.8574 -12.1195 -16.6457 GPRESSAVG: 3690600 -39.921 25.6644 15.3797 25.5474 -33.9829 -10.7406 14.854 -14.8448 -16.2473 TIMING: 3690600 CPU: 10979.2, 0.00291721/step Wall: 10979.2, 0.00291721/step, 1.06105 hours remaining, 206.542969 MB of memory in use. ENERGY: 3690600 788.9413 2099.0448 1946.0855 121.1283 -205850.6644 17677.0571 0.0000 0.0000 34421.9113 -148796.4961 300.6151 -183218.4074 -148693.9757 300.2443 -134.5138 -99.0115 557309.5584 -30.1790 -30.0504 PRESSURE: 3690800 -164.643 -33.0475 -10.5608 -33.0483 -203.435 -134.327 -10.561 -134.327 -327.676 GPRESSURE: 3690800 -96.9766 30.2944 -90.6761 -34.1311 -219.968 -101.127 84.9313 -158.606 -292.351 PRESSAVG: 3690800 13.4762 -64.7047 21.1486 -64.7048 54.5749 -37.3517 21.1487 -37.3517 -15.2575 GPRESSAVG: 3690800 14.0601 -63.3794 19.6416 -65.7246 54.2069 -37.93 22.7248 -35.9698 -15.6407 TIMING: 3690800 CPU: 10979.8, 0.00293564/step Wall: 10979.8, 0.00293564/step, 1.0676 hours remaining, 206.542969 MB of memory in use. ENERGY: 3690800 756.4346 2043.5908 1973.2322 100.5530 -205758.8261 17375.3886 0.0000 0.0000 34574.4838 -148935.1430 301.9476 -183509.6268 -148834.7649 300.2861 -231.9178 -203.0985 557491.1716 17.5979 17.5421 PRESSURE: 3691000 -43.0884 -92.9899 142.126 -92.9904 167.496 118.298 142.126 118.298 -193.298 GPRESSURE: 3691000 -24.9761 -129.166 106.106 30.4269 221.68 163.493 97.8799 183.914 -155.582 PRESSAVG: 3691000 -32.7834 -39.6682 -10.474 -39.6681 42.4399 -13.4917 -10.474 -13.4916 -10.0087 GPRESSAVG: 3691000 -32.9725 -39.3253 -11.1608 -39.4761 42.7308 -14.7805 -9.69366 -13.4486 -10.338 TIMING: 3691000 CPU: 10980.4, 0.00293649/step Wall: 10980.4, 0.00293649/step, 1.06774 hours remaining, 206.542969 MB of memory in use. ENERGY: 3691000 707.3714 2031.8245 1952.4933 112.2037 -205905.8540 17703.5977 0.0000 0.0000 34352.7389 -149045.6245 300.0110 -183398.3635 -148949.9003 299.2723 -22.9635 13.7071 557801.9344 -0.1174 -0.1932 PRESSURE: 3691200 -110.363 -112.032 -41.6515 -112.032 -81.5168 47.4186 -41.6531 47.4177 -68.6676 GPRESSURE: 3691200 -65.7991 -94.5004 -78.0722 -173.19 -63.7619 13.1362 -94.1347 113.964 -36.1122 PRESSAVG: 3691200 3.02085 -70.8851 9.465 -70.8851 54.9587 45.4853 9.46496 45.4854 -44.9123 GPRESSAVG: 3691200 4.23511 -73.0952 9.75983 -69.067 53.9172 45.7192 7.89437 46.2031 -45.323 TIMING: 3691200 CPU: 10981, 0.00292504/step Wall: 10981, 0.00292504/step, 1.06341 hours remaining, 206.542969 MB of memory in use. ENERGY: 3691200 759.6220 2057.1403 1942.2923 102.8575 -205979.2255 17721.3600 0.0000 0.0000 34313.4137 -149082.5396 299.6676 -183395.9532 -148987.8108 299.7531 -86.8491 -55.2244 557742.8188 4.3557 4.2764 PRESSURE: 3691400 -69.246 -43.4667 -137.509 -43.4658 -107.945 -114.595 -137.508 -114.595 87.5006 GPRESSURE: 3691400 1.67027 -126.005 -187.592 13.2303 -31.7528 -176.24 -121.577 -9.78578 40.0746 PRESSAVG: 3691400 -15.2999 7.93464 -31.7734 7.93457 19.8426 -8.79143 -31.7735 -8.79141 -1.73935 GPRESSAVG: 3691400 -15.9097 8.34042 -28.868 8.37324 19.8242 -9.20999 -32.5228 -10.444 -1.5092 TIMING: 3691400 CPU: 10981.6, 0.00295605/step Wall: 10981.6, 0.00295605/step, 1.07452 hours remaining, 206.542969 MB of memory in use. ENERGY: 3691400 727.0206 2099.7877 1932.5367 126.7626 -205981.2549 17824.6512 0.0000 0.0000 34222.6245 -149047.8715 298.8747 -183270.4960 -148942.7560 299.6233 -29.8967 3.3307 557700.3095 0.9345 0.8018 PRESSURE: 3691600 -34.182 -75.9446 -17.941 -75.9446 -44.2783 -13.1224 -17.94 -13.1242 -47.9859 GPRESSURE: 3691600 -42.1138 -10.6364 -59.8214 -110.229 1.24388 28.3472 41.9128 1.58749 18.3426 PRESSAVG: 3691600 29.0001 1.89387 -4.70076 1.89384 -70.7891 3.59073 -4.70075 3.59065 44.5493 GPRESSAVG: 3691600 28.8865 4.11811 -6.36364 0.327372 -70.4108 6.39296 -3.74848 3.67165 44.4872 TIMING: 3691600 CPU: 10982.2, 0.00292686/step Wall: 10982.2, 0.00292686/step, 1.06375 hours remaining, 206.542969 MB of memory in use. ENERGY: 3691600 753.7627 2029.6413 1956.7154 122.8865 -205687.8793 17738.4387 0.0000 0.0000 34119.7897 -148966.6450 297.9766 -183086.4348 -148875.3082 299.0816 -42.1488 -7.5091 558973.4914 0.9201 0.9876 PRESSURE: 3691800 194.293 -97.848 -48.9018 -97.8487 -177.776 -69.8036 -48.9019 -69.8026 -182.232 GPRESSURE: 3691800 190.978 -127.785 -71.1216 -6.96871 -139.867 -42.7568 -97.4117 -55.0471 -110.556 PRESSAVG: 3691800 15.286 -2.58965 -0.0594831 -2.58974 -43.5746 -34.9815 -0.0593937 -34.9815 25.4141 GPRESSAVG: 3691800 15.5157 -4.20232 -0.204484 -3.85954 -43.4777 -36.2365 0.989569 -36.1647 25.5175 TIMING: 3691800 CPU: 10982.8, 0.00291628/step Wall: 10982.8, 0.00291627/step, 1.05974 hours remaining, 206.542969 MB of memory in use. ENERGY: 3691800 713.3791 2112.6009 1960.7152 109.7867 -205514.0762 17747.7006 0.0000 0.0000 33887.0788 -148982.8148 295.9443 -182869.8936 -148887.6459 299.2157 -55.2383 -19.8151 559560.0710 -0.9582 -0.8149 PRESSURE: 3692000 -205.047 34.1102 -163.723 34.1083 -131.557 -22.5733 -163.722 -22.5732 -109.333 GPRESSURE: 3692000 -201.472 61.2839 -140.874 90.3743 -123.22 -19.0548 -118.824 -25.5613 -29.9719 PRESSAVG: 3692000 -10.7217 -26.34 26.7413 -26.3402 -11.7319 -16.9368 26.7413 -16.9367 -11.0933 GPRESSAVG: 3692000 -11.0272 -27.2918 26.0845 -25.9523 -11.6579 -16.9946 26.8665 -15.9713 -11.1749 TIMING: 3692000 CPU: 10983.3, 0.00292919/step Wall: 10983.3, 0.00292919/step, 1.06427 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3692000 724.6760 2059.8413 1952.5561 119.5052 -206106.4280 17672.2449 0.0000 0.0000 34440.6712 -149136.9333 300.7789 -183577.6045 -149046.1440 299.7668 -148.6457 -118.2213 558373.6219 -11.1823 -11.2867 PRESSURE: 3692200 131.149 48.3582 54.6529 48.3572 254.006 -118.513 54.6541 -118.512 99.594 GPRESSURE: 3692200 191.191 101.555 28.9166 67.3852 242.544 -151.394 -9.28507 -123.895 145.92 PRESSAVG: 3692200 62.218 -99.0486 -4.8478 -99.0486 1.52856 -26.1802 -4.84777 -26.1802 -47.5723 GPRESSAVG: 3692200 62.1169 -99.6612 -6.4014 -98.4824 1.12178 -24.7599 -5.8212 -26.099 -47.048 TIMING: 3692200 CPU: 10983.9, 0.00293632/step Wall: 10983.9, 0.00293632/step, 1.0667 hours remaining, 206.542969 MB of memory in use. ENERGY: 3692200 760.6254 2116.5410 1934.9776 121.5066 -206162.0014 18008.6511 0.0000 0.0000 34146.6304 -149073.0692 298.2110 -183219.6996 -148980.8788 299.6993 161.5830 193.2184 556963.7256 5.3914 5.3969 LDB: ============= START OF LOAD BALANCING ============== 10987.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10987.5 LDB: =============== DONE WITH MIGRATION ================ 10987.5 LDB: ============= START OF LOAD BALANCING ============== 10987.8 LDB: Largest compute 4802 load 0.023668 is 20.0% of average load 0.118221 LDB: Average compute 0.001728 is 1.5% of average load 0.118221 LDB: TIME 10987.8 LOAD: AVG 0.118221 MAX 0.196663 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.543 MB LDB: TIME 10987.8 LOAD: AVG 0.118221 MAX 0.196663 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.547 MB LDB: TIME 10987.8 LOAD: AVG 0.118221 MAX 0.196663 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.547 MB LDB: ============== END OF LOAD BALANCING =============== 10987.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10987.8 PRESSURE: 3692400 -35.4796 -249.808 -72.7609 -249.807 41.8824 -48.1715 -72.7594 -48.1714 -118.516 GPRESSURE: 3692400 -23.0938 -202.116 -74.2371 -227.109 45.3849 -8.42266 -80.8648 -19.8804 -40.9505 PRESSAVG: 3692400 37.6376 -53.251 -2.91284 -53.251 6.23424 -31.3506 -2.91284 -31.3507 -40.4751 GPRESSAVG: 3692400 38.2156 -53.2576 0.0406114 -53.7047 6.82796 -31.4622 -2.77153 -31.9731 -40.8032 TIMING: 3692400 CPU: 10984.5, 0.00303113/step Wall: 10984.5, 0.00303113/step, 1.10097 hours remaining, 208.343750 MB of memory in use. ENERGY: 3692400 734.7736 2089.5562 1969.2349 118.4115 -205928.6474 17671.7099 0.0000 0.0000 34418.8566 -148926.1048 300.5884 -183344.9614 -148828.7427 299.3748 -37.3710 -6.2198 557971.5325 1.1322 1.4134 PRESSURE: 3692600 40.4861 -63.9998 -125.568 -64.0002 32.8683 96.1267 -125.568 96.126 -32.3666 GPRESSURE: 3692600 46.3531 -95.4377 -141.399 -61.5341 67.0133 6.32293 -92.34 82.9707 24.8601 PRESSAVG: 3692600 13.5241 -45.7358 -64.9 -45.7358 18.9467 1.2993 -64.9001 1.29931 -51.7511 GPRESSAVG: 3692600 12.523 -42.2572 -65.2389 -47.438 19.501 -1.72285 -67.1093 4.52807 -51.086 TIMING: 3692600 CPU: 10985.1, 0.0029386/step Wall: 10985.1, 0.0029386/step, 1.0672 hours remaining, 208.414062 MB of memory in use. ENERGY: 3692600 776.7909 2067.2005 1934.3121 120.5311 -206092.1142 17912.0481 0.0000 0.0000 34514.9715 -148766.2601 301.4278 -183281.2316 -148672.5928 300.0608 13.6626 46.0755 557919.9461 -6.4267 -6.3540 PRESSURE: 3692800 382.927 -50.3875 -47.7424 -50.3881 161.539 80.5644 -47.7427 80.5628 9.76863 GPRESSURE: 3692800 411.974 -116.431 -47.5084 30.7101 192.179 138.569 -33.6192 18.2037 47.7568 PRESSAVG: 3692800 66.3791 -35.7803 -35.1744 -35.7803 -70.5409 56.0441 -35.1743 56.044 -23.9166 GPRESSAVG: 3692800 66.5743 -38.6617 -36.0026 -33.0321 -70.3808 56.8076 -32.5334 52.5973 -24.4072 TIMING: 3692800 CPU: 10985.7, 0.00292978/step Wall: 10985.7, 0.00292978/step, 1.06383 hours remaining, 208.414062 MB of memory in use. ENERGY: 3692800 726.9247 2095.0593 1945.7673 119.8324 -206038.8964 17877.5925 0.0000 0.0000 34420.3331 -148853.3871 300.6013 -183273.7202 -148756.6773 300.1765 184.7447 217.3034 557852.8563 -9.3595 -9.4046 PRESSURE: 3693000 117.42 20.3341 -60.0281 20.3345 2.6758 -15.9993 -60.0282 -16.0006 70.6263 GPRESSURE: 3693000 186.124 -43.5636 -0.639185 54.1743 0.0533716 25.3953 -122.736 0.541568 101.238 PRESSAVG: 3693000 26.4756 68.7584 -12.2545 68.7584 42.9514 52.4921 -12.2545 52.4921 -60.694 GPRESSAVG: 3693000 26.2156 70.7522 -13.1096 66.0692 42.1746 55.0818 -13.1043 52.8615 -60.4969 TIMING: 3693000 CPU: 10986.3, 0.00294884/step Wall: 10986.3, 0.00294884/step, 1.07059 hours remaining, 208.414062 MB of memory in use. ENERGY: 3693000 762.3371 2098.4984 1958.4203 108.9576 -206361.0711 17800.2139 0.0000 0.0000 34442.4237 -149190.2202 300.7943 -183632.6438 -149086.7801 299.9054 63.5740 95.8049 556444.2603 2.9110 2.6311 PRESSURE: 3693200 -17.2074 -217.059 -48.6534 -217.058 170.937 53.4914 -48.653 53.4924 -100.065 GPRESSURE: 3693200 -0.370842 -175.748 -69.7612 -107.67 234.626 45.504 2.76179 4.69058 -75.6164 PRESSAVG: 3693200 -7.94977 -43.0882 -17.1113 -43.0882 9.6866 22.7931 -17.1113 22.7931 43.8483 GPRESSAVG: 3693200 -7.67029 -46.8919 -16.8413 -40.5982 9.59807 22.3821 -16.8213 24.5389 43.1682 TIMING: 3693200 CPU: 10986.9, 0.00293581/step Wall: 10986.9, 0.00293581/step, 1.0657 hours remaining, 208.414062 MB of memory in use. ENERGY: 3693200 708.3841 2151.0026 1975.3172 115.9872 -206335.8840 17884.3140 0.0000 0.0000 34189.1720 -149311.7070 298.5825 -183500.8790 -149214.0072 299.1519 17.8882 52.8795 557425.1244 15.1951 15.0320 PRESSURE: 3693400 30.3357 82.6597 97.7108 82.6603 -188.162 175.036 97.7121 175.037 40.3165 GPRESSURE: 3693400 69.8247 96.8924 63.5697 33.6813 -187.818 158.742 132.952 226.327 91.1555 PRESSAVG: 3693400 -18.5995 32.6806 -10.9284 32.6806 20.3529 20.2966 -10.9284 20.2965 14.7076 GPRESSAVG: 3693400 -17.7575 33.8853 -9.01185 32.9885 19.1296 20.9595 -10.6163 19.2785 15.6452 TIMING: 3693400 CPU: 10987.5, 0.00290617/step Wall: 10987.5, 0.00290617/step, 1.05478 hours remaining, 208.414062 MB of memory in use. ENERGY: 3693400 742.8522 2171.5083 1929.7916 117.2825 -206142.6553 17601.6891 0.0000 0.0000 34001.7276 -149577.8040 296.9455 -183579.5316 -149482.2862 297.9373 -39.1699 -8.9461 558168.3733 5.4870 5.6724 PRESSURE: 3693600 -290.008 150.196 -22.535 150.196 89.3723 -2.9797 -22.5339 -2.97901 -151.354 GPRESSURE: 3693600 -259.191 183.869 -1.26673 168.471 142.708 -42.9289 -4.9747 -1.53579 -143.736 PRESSAVG: 3693600 -37.5415 61.0436 -48.5007 61.0436 79.0789 -21.3746 -48.5007 -21.3746 0.680192 GPRESSAVG: 3693600 -38.3828 61.1476 -48.0443 60.8848 81.0265 -22.555 -52.1232 -20.2682 -0.00689441 TIMING: 3693600 CPU: 10988.1, 0.00295925/step Wall: 10988.1, 0.00295925/step, 1.07388 hours remaining, 208.414062 MB of memory in use. ENERGY: 3693600 731.1084 2139.7324 1945.3568 121.9078 -206266.3767 17634.8287 0.0000 0.0000 34118.9862 -149574.4564 297.9696 -183693.4426 -149479.7050 298.4429 -117.3301 -86.7398 557092.6449 14.0725 14.2123 PRESSURE: 3693800 -532.507 96.5928 -92.8571 96.5941 -399.829 -128.111 -92.8573 -128.11 -319.213 GPRESSURE: 3693800 -488.154 82.0509 -101.46 109.759 -351.531 -228.173 -96.6865 -42.1581 -315.847 PRESSAVG: 3693800 -23.4606 48.5722 -24.3869 48.5721 40.1116 47.7671 -24.3869 47.7672 8.80578 GPRESSAVG: 3693800 -22.7807 47.0606 -26.0352 48.7079 39.4019 46.3925 -21.2606 48.2256 9.08119 TIMING: 3693800 CPU: 10988.6, 0.00294877/step Wall: 10988.6, 0.00294877/step, 1.06991 hours remaining, 208.414062 MB of memory in use. ENERGY: 3693800 753.7675 2122.8241 1953.4282 111.6471 -205543.3190 17255.7011 0.0000 0.0000 33888.4841 -149457.4670 295.9566 -183345.9511 -149361.8546 298.6716 -417.1833 -385.1777 558578.4437 8.4856 8.5675 PRESSURE: 3694000 191.14 87.0775 -8.05794 87.0781 -2.83441 29.7449 -8.05806 29.7444 125.352 GPRESSURE: 3694000 204.032 66.0174 -43.3239 64.2173 37.901 -61.3138 -19.863 42.9081 170.404 PRESSAVG: 3694000 -70.4763 61.928 -61.7205 61.9279 -22.6294 -40.4061 -61.7205 -40.406 50.3607 GPRESSAVG: 3694000 -70.9922 63.4634 -60.4675 58.6646 -21.3023 -39.2615 -63.245 -40.4284 49.3236 TIMING: 3694000 CPU: 10989.2, 0.00293026/step Wall: 10989.2, 0.00293026/step, 1.06303 hours remaining, 208.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3694000 764.0714 2078.5835 1949.6322 107.7664 -206926.7378 18261.3092 0.0000 0.0000 34225.5465 -149539.8286 298.9002 -183765.3751 -149445.2929 297.8393 104.5527 137.4458 557515.5178 -14.2483 -14.3236 PRESSURE: 3694200 36.6837 104.414 -58.8942 104.413 142.575 31.0086 -58.893 31.009 55.2434 GPRESSURE: 3694200 40.5462 154.401 39.7488 80.0397 230.975 -31.9073 -109.817 15.6704 56.4406 PRESSAVG: 3694200 36.4111 67.2362 -12.1891 67.2362 -8.97194 0.610563 -12.189 0.610567 -20.6326 GPRESSAVG: 3694200 36.3231 68.7978 -14.7493 66.9368 -10.031 -0.627198 -9.8207 -0.345196 -19.9067 TIMING: 3694200 CPU: 10989.8, 0.0029308/step Wall: 10989.8, 0.0029308/step, 1.06307 hours remaining, 208.414062 MB of memory in use. ENERGY: 3694200 741.6769 2115.2176 1943.5556 109.4219 -206800.1415 18145.9203 0.0000 0.0000 34174.2791 -149570.0701 298.4525 -183744.3492 -149478.1224 298.4962 78.1672 109.3206 557690.0750 2.2688 2.1285 PRESSURE: 3694400 165.898 96.6531 185.736 96.6522 -6.21684 115.042 185.736 115.044 -62.3725 GPRESSURE: 3694400 173.682 -2.79453 157.076 129.071 25.786 151.186 245.321 158.21 -7.00734 PRESSAVG: 3694400 40.0542 49.0319 -40.4057 49.032 -10.6078 7.51613 -40.4058 7.51613 -14.5558 GPRESSAVG: 3694400 40.0119 46.9242 -39.9666 49.5341 -11.395 7.93492 -40.717 9.99834 -13.1777 TIMING: 3694400 CPU: 10990.4, 0.0029407/step Wall: 10990.4, 0.0029407/step, 1.06649 hours remaining, 208.414062 MB of memory in use. ENERGY: 3694400 752.9343 2051.4929 1951.5113 106.2558 -206347.9152 17848.8716 0.0000 0.0000 34111.9409 -149524.9083 297.9081 -183636.8492 -149430.8847 298.3125 32.4363 64.1537 557280.9415 4.9636 5.1464 PRESSURE: 3694600 -61.7099 -102.852 -32.2695 -102.851 -55.653 59.3215 -32.2703 59.321 -22.6441 GPRESSURE: 3694600 -40.4703 -107.403 43.4637 -181.503 -52.572 78.8636 -63.8341 28.2261 51.7883 PRESSAVG: 3694600 -6.46488 19.7503 49.9286 19.7503 17.7492 47.1414 49.9285 47.1414 -8.82915 GPRESSAVG: 3694600 -5.67527 22.2707 50.0462 19.0565 18.3602 48.7802 47.2865 45.898 -10.5611 TIMING: 3694600 CPU: 10991, 0.00295187/step Wall: 10991, 0.00295187/step, 1.07038 hours remaining, 208.414062 MB of memory in use. ENERGY: 3694600 733.3979 2027.9701 1948.1005 127.7488 -206119.2279 17646.4854 0.0000 0.0000 34140.3520 -149495.1732 298.1562 -183635.5251 -149400.2065 298.6550 -46.6690 -13.7513 556193.8310 0.8184 0.7079 PRESSURE: 3694800 34.226 101.802 -149.208 101.8 -19.1076 -41.495 -149.209 -41.4955 37.8541 GPRESSURE: 3694800 95.5069 92.6373 -201.854 95.3827 42.4927 -68.1488 -179.096 -63.92 7.93445 PRESSAVG: 3694800 39.8973 22.7894 -31.8678 22.7893 48.2959 -17.0706 -31.8679 -17.0707 -73.4865 GPRESSAVG: 3694800 39.7515 22.5607 -30.496 23.2257 47.9095 -17.8079 -29.8719 -16.7222 -73.3388 TIMING: 3694800 CPU: 10991.6, 0.00293903/step Wall: 10991.6, 0.00293903/step, 1.06556 hours remaining, 208.414062 MB of memory in use. ENERGY: 3694800 706.1151 2059.8933 1958.4853 114.4042 -206194.8906 17863.2144 0.0000 0.0000 34278.5647 -149214.2137 299.3632 -183492.7784 -149114.9516 299.0156 17.6575 48.6447 556890.5934 4.9022 4.7740 PRESSURE: 3695000 39.0161 185.495 -32.9325 185.494 109.804 68.3716 -32.9327 68.3713 -72.7725 GPRESSURE: 3695000 89.3894 228.212 5.88601 120.477 52.7069 107.333 -73.1486 54.4752 28.8238 PRESSAVG: 3695000 42.7462 -5.69603 -5.50718 -5.69588 -32.6937 -17.9973 -5.50714 -17.9972 15.6481 GPRESSAVG: 3695000 43.8677 -7.0497 -7.18547 -2.42115 -32.8775 -18.1363 -3.42871 -17.227 14.8291 TIMING: 3695000 CPU: 10992.2, 0.0029434/step Wall: 10992.2, 0.0029434/step, 1.06698 hours remaining, 208.414062 MB of memory in use. ENERGY: 3695000 739.6505 2090.9049 1976.3740 103.8363 -206160.5998 17920.0119 0.0000 0.0000 34202.3493 -149127.4729 298.6976 -183329.8221 -149034.6163 299.2628 25.3491 56.9733 556762.0102 8.5669 8.6064 PRESSURE: 3695200 19.1491 -70.2949 -127.222 -70.2944 -72.8101 38.4771 -127.221 38.4754 54.7147 GPRESSURE: 3695200 61.7166 -42.1528 -31.0032 -134.288 -5.79005 76.9433 -200.104 60.9442 44.7311 PRESSAVG: 3695200 13.4162 5.82891 -43.0693 5.82889 6.13899 -19.9041 -43.0692 -19.9041 -28.8386 GPRESSAVG: 3695200 11.4632 6.85336 -40.9932 2.85993 7.2136 -18.9207 -46.651 -22.5095 -28.2198 TIMING: 3695200 CPU: 10992.8, 0.002911/step Wall: 10992.8, 0.002911/step, 1.05508 hours remaining, 208.414062 MB of memory in use. ENERGY: 3695200 692.2541 2074.2639 1951.0395 116.3035 -206252.9184 17655.5409 0.0000 0.0000 34594.3326 -149169.1839 302.1209 -183763.5165 -149069.5965 300.1170 0.3512 33.5525 557115.6016 -3.0945 -3.1810 PRESSURE: 3695400 -142.652 129.354 -146.081 129.354 -113.227 -209.639 -146.081 -209.64 -168.616 GPRESSURE: 3695400 -120.768 40.4463 -141.391 188.837 -98.7766 -213.312 -93.24 -177.506 -108.985 PRESSAVG: 3695400 67.896 5.08194 -92.2148 5.0819 2.33362 -24.0137 -92.2148 -24.0138 -82.3476 GPRESSAVG: 3695400 67.8493 4.78735 -92.957 5.49025 2.42062 -26.8804 -91.4722 -22.3383 -82.663 TIMING: 3695400 CPU: 10993.3, 0.00292306/step Wall: 10993.3, 0.00292306/step, 1.05929 hours remaining, 208.414062 MB of memory in use. ENERGY: 3695400 723.6888 2078.8023 1938.6615 113.9593 -206041.8370 17729.0824 0.0000 0.0000 34369.1596 -149088.4830 300.1544 -183457.6426 -148993.5881 299.1934 -141.4986 -109.5101 560630.4586 -4.0393 -4.1310 PRESSURE: 3695600 -184.87 -26.2348 -106.14 -26.2336 -233.213 137.805 -106.14 137.804 74.6788 GPRESSURE: 3695600 -140.284 -62.0974 -104.332 -31.2665 -186.845 104.64 -163.698 151.489 67.5029 PRESSAVG: 3695600 12.5829 -33.8461 -27.0409 -33.846 20.0162 3.35455 -27.0409 3.35437 -31.3974 GPRESSAVG: 3695600 13.1054 -32.6592 -27.7706 -35.4882 18.1457 2.40255 -26.1712 5.22373 -30.6754 TIMING: 3695600 CPU: 10993.9, 0.00291983/step Wall: 10993.9, 0.00291983/step, 1.05795 hours remaining, 208.414062 MB of memory in use. ENERGY: 3695600 746.2931 2064.6275 1964.7802 113.8977 -205878.4674 17713.7158 0.0000 0.0000 34276.8652 -148998.2880 299.3484 -183275.1532 -148904.5599 299.6023 -114.4679 -86.5420 559057.7742 0.4006 0.1919 PRESSURE: 3695800 -61.141 51.7416 -15.3325 51.7414 -115.585 149.888 -15.3323 149.889 -258.899 GPRESSURE: 3695800 -23.1894 75.9166 -28.8205 -15.2408 -75.5354 121.593 -0.162843 158.36 -241.047 PRESSAVG: 3695800 36.4508 -32.5971 -31.1699 -32.5972 21.6703 29.9726 -31.17 29.9726 -14.8126 GPRESSAVG: 3695800 35.1026 -33.4805 -31.0489 -29.9279 22.66 32.0218 -32.9067 27.1372 -13.8064 TIMING: 3695800 CPU: 10994.5, 0.00292497/step Wall: 10994.5, 0.00292497/step, 1.05965 hours remaining, 208.609375 MB of memory in use. ENERGY: 3695800 762.3156 2060.6359 1956.7267 101.0665 -205736.7278 17589.7703 0.0000 0.0000 34267.0438 -148999.1689 299.2626 -183266.2127 -148903.0918 300.2048 -145.2083 -113.2572 558421.3832 14.4361 14.6521 PRESSURE: 3696000 -224.1 18.6846 37.5101 18.6842 -138.358 -84.3199 37.5107 -84.3219 98.1132 GPRESSURE: 3696000 -133.383 -74.3031 39.2999 5.14872 -189.4 -196.48 -47.9931 -30.471 163.836 PRESSAVG: 3696000 59.2598 -47.1505 -1.29137 -47.1504 2.69299 27.4483 -1.29133 27.4483 -76.0517 GPRESSAVG: 3696000 61.0529 -47.4712 0.887056 -50.1793 2.90401 27.3084 -2.2695 27.3233 -77.3955 TIMING: 3696000 CPU: 10995.1, 0.0029415/step Wall: 10995.1, 0.0029415/step, 1.06548 hours remaining, 208.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3696000 721.0332 2056.9253 1948.5669 117.4407 -205961.2212 17696.0263 0.0000 0.0000 34485.8229 -148935.4060 301.1733 -183421.2289 -148838.9972 300.0860 -88.1151 -52.9821 559433.4720 -4.6996 -4.4795 PRESSURE: 3696200 142.924 21.6468 -258.193 21.6463 48.7269 83.7573 -258.193 83.7591 273.68 GPRESSURE: 3696200 193.54 -38.2617 -214.063 69.173 59.821 84.5865 -220.68 71.5028 315.585 PRESSAVG: 3696200 -16.5958 -58.7975 -5.5821 -58.7975 57.851 47.7538 -5.5821 47.7539 1.55901 GPRESSAVG: 3696200 -17.5254 -59.9705 -6.37751 -56.4322 57.9025 48.5652 -5.1262 48.3532 2.76356 TIMING: 3696200 CPU: 10995.7, 0.00294948/step Wall: 10995.7, 0.00294948/step, 1.0682 hours remaining, 208.609375 MB of memory in use. ENERGY: 3696200 743.9118 2012.5654 1949.0882 98.1017 -206059.6713 18069.8101 0.0000 0.0000 34213.1086 -148973.0856 298.7916 -183186.1942 -148880.4146 300.4060 155.1103 189.6487 557491.9343 14.2714 14.3802 LDB: ============= START OF LOAD BALANCING ============== 10999.2 LDB: ============== END OF LOAD BALANCING =============== 10999.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10999.2 LDB: ============= START OF LOAD BALANCING ============== 10999.5 LDB: Largest compute 4802 load 0.027563 is 23.3% of average load 0.118239 LDB: Average compute 0.001737 is 1.5% of average load 0.118239 LDB: TIME 10999.5 LOAD: AVG 0.118239 MAX 0.196455 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.441 MB LDB: TIME 10999.5 LOAD: AVG 0.118239 MAX 0.196455 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.645 MB LDB: TIME 10999.5 LOAD: AVG 0.118239 MAX 0.196455 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.645 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10999.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10999.5 PRESSURE: 3696400 312.345 25.0954 -106.19 25.0938 -138.906 3.03749 -106.189 3.03716 14.2472 GPRESSURE: 3696400 302.606 -35.7032 -87.4226 14.7529 -102.568 -16.7875 -136.872 22.1586 85.0054 PRESSAVG: 3696400 -36.9878 -7.82008 24.5727 -7.82008 35.7803 -8.15498 24.5726 -8.15498 19.5277 GPRESSAVG: 3696400 -37.2191 -6.03431 23.2294 -9.41071 36.7909 -7.84462 26.4676 -8.35033 18.3444 TIMING: 3696400 CPU: 10996.3, 0.00301625/step Wall: 10996.3, 0.00301625/step, 1.09222 hours remaining, 207.054688 MB of memory in use. ENERGY: 3696400 731.8378 2067.4179 1930.7709 106.5384 -206061.4164 17847.3646 0.0000 0.0000 34491.0923 -148886.3944 301.2193 -183377.4867 -148790.3007 300.0889 62.5620 95.0145 558242.0055 6.1067 5.9721 PRESSURE: 3696600 188.847 -27.6661 -63.7411 -27.6659 -78.5812 -70.39 -63.7406 -70.3892 -93.2111 GPRESSURE: 3696600 252.716 3.81622 -39.2523 -112.161 -57.4718 -69.8659 -30.9001 -94.7149 -81.2778 PRESSAVG: 3696600 -3.0478 52.467 -66.0359 52.467 -19.8083 7.79154 -66.0359 7.79151 -12.6281 GPRESSAVG: 3696600 -3.1016 52.134 -63.8271 55.2234 -19.9994 8.7187 -68.501 7.89299 -12.3055 TIMING: 3696600 CPU: 10996.9, 0.00295119/step Wall: 10996.9, 0.00295119/step, 1.06849 hours remaining, 207.054688 MB of memory in use. ENERGY: 3696600 785.7273 2095.3638 1950.2646 103.1906 -206051.5461 17863.0053 0.0000 0.0000 34324.6327 -148929.3619 299.7656 -183253.9945 -148834.3023 299.5852 5.6848 37.9888 557319.5065 -11.8281 -11.8022 PRESSURE: 3696800 80.3754 -82.0186 158.262 -82.0181 -245.943 129.271 158.263 129.269 15.794 GPRESSURE: 3696800 119.449 -122.355 152.819 -87.1647 -204.099 104.115 135.093 71.1291 47.2436 PRESSAVG: 3696800 52.4214 -22.2787 28.4375 -22.2787 -5.87703 16.1078 28.4376 16.1078 -47.1392 GPRESSAVG: 3696800 52.207 -23.0306 26.0986 -23.1834 -6.35611 15.5631 27.8454 16.2223 -45.7447 TIMING: 3696800 CPU: 10997.5, 0.00294316/step Wall: 10997.5, 0.00294316/step, 1.06542 hours remaining, 207.054688 MB of memory in use. ENERGY: 3696800 767.7613 2047.6675 1921.4751 113.0939 -205955.0778 17649.7458 0.0000 0.0000 34425.7799 -149029.5544 300.6489 -183455.3343 -148932.8845 299.6174 -49.9244 -12.4686 558531.9019 -0.1983 0.0354 PRESSURE: 3697000 -396.809 77.9621 -28.8841 77.9613 -247.072 63.6068 -28.8855 63.6074 -17.4528 GPRESSURE: 3697000 -355.899 99.1648 -44.6116 115.914 -173.281 70.1384 -22.2944 101.569 -40.4129 PRESSAVG: 3697000 -6.01757 -4.41875 -2.5679 -4.41878 3.61535 -14.771 -2.5681 -14.7709 8.40541 GPRESSAVG: 3697000 -5.23684 -3.92557 -2.80495 -5.74547 4.12314 -15.3727 -0.685254 -13.6812 7.15655 TIMING: 3697000 CPU: 10998.1, 0.00292271/step Wall: 10998.1, 0.00292271/step, 1.05786 hours remaining, 207.054688 MB of memory in use. ENERGY: 3697000 773.3876 2054.1505 1950.9676 118.5198 -206006.8869 17638.8277 0.0000 0.0000 34493.8117 -148977.2220 301.2430 -183471.0337 -148875.0939 299.9357 -220.4446 -189.8643 558340.4137 2.0011 2.0143 PRESSURE: 3697200 -282.924 -32.4072 231.467 -32.4069 -149.427 -28.3493 231.466 -28.3494 -100.552 GPRESSURE: 3697200 -232.253 -67.9669 220.081 -74.9743 -83.1678 0.0174099 294.328 -97.8438 -108.137 PRESSAVG: 3697200 10.2438 38.9859 -3.26592 38.9859 -13.4095 -11.6292 -3.26588 -11.6292 9.24142 GPRESSAVG: 3697200 10.2621 38.4282 -2.00759 40.5029 -13.3921 -12.5387 -4.22628 -11.8834 8.91008 TIMING: 3697200 CPU: 10998.6, 0.0029338/step Wall: 10998.6, 0.0029338/step, 1.06171 hours remaining, 207.054688 MB of memory in use. ENERGY: 3697200 748.0322 2154.7414 1962.8943 104.3539 -205665.1245 17440.0677 0.0000 0.0000 34259.1671 -148995.8679 299.1938 -183255.0350 -148901.7063 299.6648 -177.6341 -141.1857 558413.5575 2.0252 1.9267 PRESSURE: 3697400 -18.4649 37.0637 -102.483 37.0637 -124.784 100.428 -102.484 100.428 -97.1455 GPRESSURE: 3697400 -26.4237 33.7058 -168.291 61.2975 -87.9692 63.9934 -98.2238 159.894 -27.2622 PRESSAVG: 3697400 69.9045 7.80223 22.866 7.80232 47.8371 22.8774 22.8661 22.8775 -44.1598 GPRESSAVG: 3697400 69.4761 8.73264 22.1278 8.74588 46.5 23.9442 22.6604 22.8753 -42.7396 TIMING: 3697400 CPU: 10999.2, 0.00292247/step Wall: 10999.2, 0.00292247/step, 1.05745 hours remaining, 207.054688 MB of memory in use. ENERGY: 3697400 782.7861 2051.5394 1950.1394 121.9091 -206024.2476 17694.6440 0.0000 0.0000 34513.8630 -148909.3665 301.4182 -183423.2295 -148811.1279 300.3657 -80.1316 -47.2184 558548.6157 24.5273 24.4122 PRESSURE: 3697600 -255.183 -101.598 60.7575 -101.598 161.823 196.272 60.7569 196.271 114.596 GPRESSURE: 3697600 -188.46 -88.1908 44.4716 -109.17 168.785 240.092 40.9821 126.318 137.879 PRESSAVG: 3697600 -47.6981 40.9324 -3.40227 40.9324 60.4209 -4.83696 -3.40235 -4.83705 -3.76211 GPRESSAVG: 3697600 -47.0667 42.1611 -4.05647 38.1423 60.421 -5.38223 -2.57295 -3.32173 -4.91416 TIMING: 3697600 CPU: 10999.8, 0.00293703/step Wall: 10999.8, 0.00293703/step, 1.06255 hours remaining, 207.054688 MB of memory in use. ENERGY: 3697600 738.2181 2150.0682 1981.3912 103.9048 -205989.4339 17865.1322 0.0000 0.0000 34224.0643 -148926.6551 298.8873 -183150.7194 -148839.9751 300.7366 7.0788 39.4012 559236.3542 2.9869 2.8134 PRESSURE: 3697800 -189.995 71.7504 53.072 71.7507 -69.3326 50.7102 53.0715 50.7102 -127.131 GPRESSURE: 3697800 -215.868 110.338 -101.303 -46.2456 17.7432 82.0934 92.276 -14.7347 -81.3102 PRESSAVG: 3697800 -27.7292 -5.59642 -30.5371 -5.59635 -1.23783 33.3902 -30.5371 33.3902 8.74782 GPRESSAVG: 3697800 -29.2408 -6.51012 -29.4493 -5.04069 -0.792298 34.5964 -31.6723 32.0688 10.1186 TIMING: 3697800 CPU: 11000.4, 0.00292917/step Wall: 11000.4, 0.00292917/step, 1.05955 hours remaining, 207.054688 MB of memory in use. ENERGY: 3697800 727.2628 2085.9124 1946.9092 109.1569 -205405.3987 17626.1029 0.0000 0.0000 33983.1256 -148926.9289 296.7831 -182910.0545 -148823.7862 300.6140 -128.8198 -93.1450 559337.4030 -6.7397 -6.6382 PRESSURE: 3698000 164.76 43.53 28.6293 43.5294 -4.0045 121.795 28.6299 121.795 -270.909 GPRESSURE: 3698000 199.303 53.361 -19.3642 97.7156 22.0815 135.626 -21.6746 146.229 -235.379 PRESSAVG: 3698000 5.93205 2.8858 -9.08764 2.88585 -7.32311 12.183 -9.08764 12.1831 52.3725 GPRESSAVG: 3698000 7.72467 1.06784 -9.08435 5.48654 -7.66161 10.7099 -8.01894 14.5774 51.1654 TIMING: 3698000 CPU: 11001, 0.00290588/step Wall: 11001, 0.00290588/step, 1.05096 hours remaining, 207.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3698000 730.5075 2078.7674 1950.5488 110.6646 -206059.5241 17794.9354 0.0000 0.0000 34479.9339 -148914.1665 301.1218 -183394.1005 -148815.9401 299.8505 -36.7180 -4.6647 558039.1919 16.9938 17.0762 PRESSURE: 3698200 -294.766 92.2173 -59.1396 92.218 -138.524 -45.7599 -59.1392 -45.7602 -33.294 GPRESSURE: 3698200 -203.58 54.466 -46.0071 86.2008 -138.655 -82.3374 -24.7703 -124.113 -26.994 PRESSAVG: 3698200 -4.08047 45.6086 19.8225 45.6086 40.0898 14.3743 19.8225 14.3743 11.4303 GPRESSAVG: 3698200 -4.79809 48.3226 18.3691 42.9293 41.0033 13.5991 19.1454 13.1069 10.9964 TIMING: 3698200 CPU: 11001.6, 0.00292488/step Wall: 11001.6, 0.00292488/step, 1.05767 hours remaining, 207.054688 MB of memory in use. ENERGY: 3698200 742.7151 2072.0872 1952.7214 112.2731 -205967.5782 17592.2465 0.0000 0.0000 34523.9371 -148971.5978 301.5061 -183495.5349 -148871.2018 301.1339 -155.5280 -123.0765 556948.6907 15.8132 15.7339 PRESSURE: 3698400 -48.4877 -218.711 103.893 -218.711 69.7088 208.941 103.894 208.941 110.552 GPRESSURE: 3698400 -5.36477 -202.769 31.032 -256.659 102.122 143.934 155.021 195.854 134.971 PRESSAVG: 3698400 -71.26 70.8307 -20.8536 70.8306 45.0665 35.1315 -20.8536 35.1316 -3.48312 GPRESSAVG: 3698400 -70.4546 68.6415 -20.3859 73.303 43.4059 36.128 -22.0639 34.5199 -2.74652 TIMING: 3698400 CPU: 11002.2, 0.00292764/step Wall: 11002.2, 0.00292764/step, 1.05851 hours remaining, 207.054688 MB of memory in use. ENERGY: 3698400 737.4839 2089.6410 1962.7424 116.3448 -206308.0233 17965.2495 0.0000 0.0000 34393.7775 -149042.7842 300.3694 -183436.5617 -148940.7955 299.7668 43.9244 77.2427 557996.2170 -9.8922 -9.9317 PRESSURE: 3698600 142.519 7.22208 158.683 7.22283 55.1089 141.637 158.682 141.636 -207.992 GPRESSURE: 3698600 186.404 40.3898 176.239 7.28768 79.0924 132.279 101.942 158.502 -181.416 PRESSAVG: 3698600 -30.1114 51.9203 41.1442 51.9202 50.5744 108.694 41.1442 108.694 -50.705 GPRESSAVG: 3698600 -30.3836 54.7534 41.5888 50.5466 52.0066 111.462 42.1508 108.412 -51.52 TIMING: 3698600 CPU: 11002.7, 0.00296109/step Wall: 11002.7, 0.00296108/step, 1.07043 hours remaining, 207.054688 MB of memory in use. ENERGY: 3698600 747.6859 2114.6204 1954.2247 107.2408 -206265.4585 17912.3131 0.0000 0.0000 34308.0091 -149121.3645 299.6204 -183429.3736 -149018.3782 299.6910 -3.4548 28.0268 557546.7784 -10.0807 -9.9657 PRESSURE: 3698800 24.5276 -71.9114 4.06902 -71.9117 -2.70931 14.1168 4.0696 14.1172 100.062 GPRESSURE: 3698800 32.6949 -67.6757 -30.5867 -88.3007 12.7061 8.85483 71.4317 22.4145 162.234 PRESSAVG: 3698800 17.7371 14.5827 16.1631 14.5826 9.70068 -15.0983 16.163 -15.0983 8.77821 GPRESSAVG: 3698800 16.9446 13.7066 18.069 12.5506 10.815 -16.9534 16.1229 -13.582 8.71665 TIMING: 3698800 CPU: 11003.3, 0.00295662/step Wall: 11003.3, 0.00295662/step, 1.06865 hours remaining, 207.054688 MB of memory in use. ENERGY: 3698800 770.2677 2093.0536 1958.0506 112.5766 -206560.1491 17994.8563 0.0000 0.0000 34478.0017 -149153.3427 301.1050 -183631.3444 -149054.8384 299.7088 40.6266 69.2118 556691.5685 12.0720 12.1587 PRESSURE: 3699000 38.4908 -144.022 -108.215 -144.023 -124.925 54.7014 -108.215 54.7028 -23.7114 GPRESSURE: 3699000 82.2964 -177.209 -108.813 -55.6576 -105.596 77.146 -97.1765 40.7587 -1.9792 PRESSAVG: 3699000 -68.2037 22.8887 4.31243 22.8887 -26.017 31.0841 4.31243 31.0841 61.9684 GPRESSAVG: 3699000 -67.6381 21.9256 2.1715 25.1199 -27.7172 31.5373 4.49246 29.5341 63.0513 TIMING: 3699000 CPU: 11003.9, 0.00295373/step Wall: 11003.9, 0.00295373/step, 1.06745 hours remaining, 207.054688 MB of memory in use. ENERGY: 3699000 775.3004 2040.4461 1959.1112 117.2391 -206327.0860 17769.4044 0.0000 0.0000 34295.9996 -149369.5852 299.5155 -183665.5848 -149276.0541 299.3360 -36.7151 -8.4261 556540.8706 -10.7508 -10.7680 PRESSURE: 3699200 -143.328 118.123 -89.0816 118.122 -65.993 -301.785 -89.082 -301.786 -17.8355 GPRESSURE: 3699200 -80.7517 113.887 -58.8812 184.902 -89.4636 -320.296 -149.468 -184.811 32.5087 PRESSAVG: 3699200 -5.46128 -17.1766 -2.94292 -17.1766 -17.4213 1.62536 -2.94293 1.62533 25.6971 GPRESSAVG: 3699200 -5.36232 -15.7213 -2.48189 -17.5555 -16.6433 -0.521405 -3.25189 2.90106 25.0162 TIMING: 3699200 CPU: 11004.5, 0.00294652/step Wall: 11004.5, 0.00294652/step, 1.06468 hours remaining, 207.054688 MB of memory in use. ENERGY: 3699200 720.3786 2126.1898 1962.7589 123.4842 -206504.4391 17903.6978 0.0000 0.0000 34382.9136 -149285.0162 300.2745 -183667.9299 -149188.4647 299.1076 -75.7189 -45.9022 557097.8553 0.9382 1.0036 PRESSURE: 3699400 -273.977 129.086 83.3305 129.089 -39.9394 -37.3749 83.3319 -37.3764 -106.039 GPRESSURE: 3699400 -189.476 144.077 31.825 125.499 -45.0511 6.79828 90.5412 -27.6814 -92.5764 PRESSAVG: 3699400 13.1392 25.7794 -57.743 25.7795 28.1161 12.8465 -57.7429 12.8466 -23.9946 GPRESSAVG: 3699400 12.6533 25.2552 -57.8496 25.4746 28.1378 12.337 -58.6793 11.8214 -23.4134 TIMING: 3699400 CPU: 11005.1, 0.00292352/step Wall: 11005.1, 0.00292352/step, 1.0562 hours remaining, 207.054688 MB of memory in use. ENERGY: 3699400 766.1584 2056.1311 1946.4071 118.0355 -206345.9669 17712.5317 0.0000 0.0000 34284.1739 -149462.5293 299.4122 -183746.7031 -149368.8279 299.4069 -139.9851 -109.0344 555737.8759 5.7536 5.7926 PRESSURE: 3699600 163.072 -172.811 -54.7224 -172.811 -197.694 11.5588 -54.7224 11.5605 -85.9415 GPRESSURE: 3699600 161.696 -150.378 3.47998 -144.431 -130.488 87.4074 -81.481 21.4451 -53.1068 PRESSAVG: 3699600 65.4877 16.9743 -28.0362 16.9742 -26.7761 -10.0042 -28.0362 -10.0041 -49.7572 GPRESSAVG: 3699600 65.2578 15.8434 -27.2852 18.6929 -27.2241 -8.47988 -29.0064 -9.83925 -49.3994 TIMING: 3699600 CPU: 11005.7, 0.00292853/step Wall: 11005.7, 0.00292853/step, 1.05785 hours remaining, 207.054688 MB of memory in use. ENERGY: 3699600 714.6298 2116.6991 1950.3408 111.3309 -205962.2625 17724.8237 0.0000 0.0000 34115.3685 -149229.0696 297.9380 -183344.4381 -149140.0607 299.3985 -40.1881 -7.2996 556887.5170 -3.6818 -3.7886 PRESSURE: 3699800 -13.8439 -10.8584 58.8262 -10.8577 70.0075 -41.7833 58.8264 -41.7839 -36.4493 GPRESSURE: 3699800 -21.6794 -93.3869 -15.4954 -25.1876 146.773 -60.0562 38.4545 -48.9981 -14.5728 PRESSAVG: 3699800 1.19279 -28.4684 3.19002 -28.4683 14.3235 -13.4281 3.18997 -13.4281 28.6506 GPRESSAVG: 3699800 0.752904 -28.8435 3.43301 -29.1001 15.6643 -13.3849 4.4373 -14.1058 27.5662 TIMING: 3699800 CPU: 11006.3, 0.00293131/step Wall: 11006.3, 0.00293131/step, 1.05869 hours remaining, 207.054688 MB of memory in use. ENERGY: 3699800 703.5727 2099.8720 1938.5521 121.0361 -206056.9096 17822.8139 0.0000 0.0000 34155.7805 -149215.2822 298.2909 -183371.0628 -149120.1866 299.4468 6.5714 36.8402 558785.1945 14.7223 14.6611 PRESSURE: 3700000 -188.342 170.004 -161.018 170.005 -282.172 -15.4525 -161.02 -15.4533 -42.7311 GPRESSURE: 3700000 -199.682 158.804 -110.596 153.761 -264.748 -29.1519 -231.575 -4.57317 48.8406 PRESSAVG: 3700000 -25.743 22.8842 16.9318 22.8842 14.0502 21.3246 16.9317 21.3245 10.701 GPRESSAVG: 3700000 -25.4639 24.0725 16.8524 22.2546 13.6889 20.2065 16.4775 22.0844 10.8361 TIMING: 3700000 CPU: 11006.9, 0.00292392/step Wall: 11006.9, 0.00292392/step, 1.05586 hours remaining, 207.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3700000 760.7606 2097.7162 1939.1585 116.3073 -205821.4415 17605.1334 0.0000 0.0000 34221.5180 -149080.8476 298.8650 -183302.3656 -148988.2695 299.5964 -171.0820 -138.5297 560063.3832 -0.3306 -0.3130 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3700000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 3700000 WRITING COORDINATES TO RESTART FILE AT STEP 3700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3700200 -41.5998 -81.4509 93.8346 -81.4517 -168.123 47.0615 93.8347 47.0604 69.7956 GPRESSURE: 3700200 7.55976 -106.892 62.3493 -31.5148 -143.949 20.6085 30.1281 40.65 94.5192 PRESSAVG: 3700200 3.96611 36.1473 -3.12141 36.1473 9.79685 33.0239 -3.12142 33.0238 9.15281 GPRESSAVG: 3700200 5.12843 36.1979 -4.18396 33.9569 7.82546 35.0152 -2.48043 32.4304 9.9028 TIMING: 3700200 CPU: 11007.5, 0.00304069/step Wall: 11007.5, 0.00304069/step, 1.09786 hours remaining, 207.054688 MB of memory in use. ENERGY: 3700200 738.1150 2073.3386 1949.4191 124.0643 -205672.4896 17553.3343 0.0000 0.0000 34171.9968 -149062.2214 298.4325 -183234.2182 -148972.5165 299.6930 -46.6424 -13.9566 557860.9343 7.6386 7.6189 LDB: ============= START OF LOAD BALANCING ============== 11011 LDB: ============== END OF LOAD BALANCING =============== 11011 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11011 LDB: ============= START OF LOAD BALANCING ============== 11011.3 LDB: Largest compute 4802 load 0.025194 is 21.3% of average load 0.118265 LDB: Average compute 0.001739 is 1.5% of average load 0.118265 LDB: TIME 11011.3 LOAD: AVG 0.118265 MAX 0.196639 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.855 MB LDB: TIME 11011.3 LOAD: AVG 0.118265 MAX 0.196639 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.859 MB LDB: TIME 11011.3 LOAD: AVG 0.118265 MAX 0.196639 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.859 MB LDB: ============== END OF LOAD BALANCING =============== 11011.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11011.3 PRESSURE: 3700400 -130.726 -164.018 -28.2491 -164.019 66.5652 7.93279 -28.2499 7.93183 69.6706 GPRESSURE: 3700400 -22.3781 -105.458 60.1247 -191.434 61.1121 -23.1985 -51.1535 28.6896 62.0663 PRESSAVG: 3700400 -29.0212 -45.6251 11.0872 -45.6253 45.7659 10.1976 11.0872 10.1976 -13.7008 GPRESSAVG: 3700400 -28.3335 -44.4384 11.7145 -44.3289 46.6762 9.6933 10.1347 9.71962 -15.4543 TIMING: 3700400 CPU: 11008.1, 0.00301583/step Wall: 11008.1, 0.00301583/step, 1.08871 hours remaining, 206.601562 MB of memory in use. ENERGY: 3700400 776.6848 2033.5143 1919.4362 119.5459 -206275.9423 17797.3855 0.0000 0.0000 34625.2895 -149004.0861 302.3913 -183629.3756 -148904.7591 300.3305 1.8365 33.6001 557338.9354 1.0146 0.9628 PRESSURE: 3700600 -106.194 -149.58 118.535 -149.58 -21.2126 -50.1017 118.535 -50.1009 209.286 GPRESSURE: 3700600 -43.5269 -149.28 140.669 -226.195 57.5564 -40.4179 168.084 -97.3062 176.375 PRESSAVG: 3700600 41.5754 -35.5725 -54.3463 -35.5725 -55.509 -20.3588 -54.3463 -20.3588 -2.58934 GPRESSAVG: 3700600 39.3872 -34.5848 -55.1029 -36.3997 -55.2447 -20.0795 -51.8652 -20.2504 -1.20751 TIMING: 3700600 CPU: 11008.7, 0.00295303/step Wall: 11008.7, 0.00295303/step, 1.06588 hours remaining, 206.601562 MB of memory in use. ENERGY: 3700600 744.3278 2030.1921 1943.5604 121.2310 -205962.8470 17861.1315 0.0000 0.0000 34294.4769 -148967.9273 299.5022 -183262.4042 -148866.5652 299.9349 27.2931 63.4680 555989.3460 -5.5077 -5.6883 PRESSURE: 3700800 -86.3602 21.0278 112.18 21.0273 -246.966 -4.34264 112.179 -4.34073 -28.3196 GPRESSURE: 3700800 -48.6637 13.0548 60.0667 85.5202 -184.132 -40.7675 129.391 -102.119 -20.5675 PRESSAVG: 3700800 44.283 -42.6269 -36.2664 -42.6269 -26.3864 -9.76388 -36.2664 -9.76384 -5.00714 GPRESSAVG: 3700800 45.8696 -45.75 -35.6883 -41.0097 -27.2481 -11.8991 -37.4343 -8.82954 -5.41055 TIMING: 3700800 CPU: 11009.2, 0.00292998/step Wall: 11009.2, 0.00292998/step, 1.0574 hours remaining, 206.601562 MB of memory in use. ENERGY: 3700800 749.0551 2034.4412 1960.6713 106.4768 -206048.0688 17646.8330 0.0000 0.0000 34445.3088 -149105.2827 300.8194 -183550.5915 -149007.9634 300.0479 -120.5486 -84.4544 556442.3475 4.2965 4.4036 PRESSURE: 3701000 -50.1827 -46.8022 6.90791 -46.8026 -242.3 72.6153 6.90639 72.6139 -43.92 GPRESSURE: 3701000 14.5095 -99.0167 38.9824 23.7873 -218.799 24.0721 -119.037 139.815 -25.7329 PRESSAVG: 3701000 7.30259 -25.4271 -18.0535 -25.4271 -60.2355 -3.05026 -18.0535 -3.05028 28.7408 GPRESSAVG: 3701000 7.50505 -24.5934 -17.3457 -25.4751 -59.8657 -2.8584 -16.6671 -4.17695 28.3702 TIMING: 3701000 CPU: 11009.8, 0.00294982/step Wall: 11009.8, 0.00294982/step, 1.0644 hours remaining, 206.601562 MB of memory in use. ENERGY: 3701000 770.1465 2082.9931 1928.2900 116.4573 -205793.0204 17504.6677 0.0000 0.0000 34355.9760 -149034.4899 300.0393 -183390.4659 -148931.1649 299.1678 -112.1343 -76.6740 556172.8590 -8.0640 -7.9968 PRESSURE: 3701200 -1.45817 -25.191 -4.14853 -25.1916 -128.544 133.052 -4.14959 133.053 49.1469 GPRESSURE: 3701200 52.2291 -49.7271 3.97586 50.405 -83.5374 55.0146 -33.2774 156.426 42.1506 PRESSAVG: 3701200 13.0826 4.70358 -18.1616 4.70361 -58.0958 20.0214 -18.1616 20.0214 46.043 GPRESSAVG: 3701200 13.0207 4.97078 -18.3059 2.95724 -57.7435 20.7922 -18.8623 19.2331 45.4411 TIMING: 3701200 CPU: 11010.4, 0.0029624/step Wall: 11010.4, 0.0029624/step, 1.06877 hours remaining, 206.601562 MB of memory in use. ENERGY: 3701200 765.2571 2081.6912 1941.3307 123.2349 -206362.0407 17870.4943 0.0000 0.0000 34547.4051 -149032.6275 301.7111 -183580.0326 -148930.5898 300.3490 -26.9517 3.6141 555680.7181 0.3432 0.2394 PRESSURE: 3701400 -38.7939 92.8928 -44.642 92.8932 4.60522 55.8388 -44.6409 55.8386 94.9107 GPRESSURE: 3701400 5.25522 103.94 1.24999 27.6612 19.7709 100.824 -55.66 108.579 128.237 PRESSAVG: 3701400 27.8047 -53.1998 -19.5253 -53.1998 27.8457 80.7942 -19.5252 80.7944 -53.4358 GPRESSAVG: 3701400 27.1746 -52.152 -19.2696 -54.7902 27.4589 81.6333 -19.6485 81.7661 -52.6017 TIMING: 3701400 CPU: 11011, 0.00295227/step Wall: 11011, 0.00295227/step, 1.06495 hours remaining, 206.601562 MB of memory in use. ENERGY: 3701400 792.1106 2111.2216 1939.9586 118.6502 -206425.6744 18028.5690 0.0000 0.0000 34322.2331 -149112.9313 299.7446 -183435.1645 -149025.0039 299.5328 20.2407 51.0876 557354.1813 0.7382 0.6773 PRESSURE: 3701600 200.579 -36.6666 106.349 -36.6669 449.629 230.916 106.349 230.917 79.1102 GPRESSURE: 3701600 238.741 -80.2919 151.784 -8.99364 434.219 307.493 134.742 194.395 138.266 PRESSAVG: 3701600 -38.6587 -27.6719 -25.7656 -27.6719 88.6092 -9.50275 -25.7655 -9.50267 7.85863 GPRESSAVG: 3701600 -37.5826 -29.1414 -26.9534 -26.39 88.8698 -8.60468 -25.349 -11.1922 6.75373 TIMING: 3701600 CPU: 11011.6, 0.00293447/step Wall: 11011.6, 0.00293447/step, 1.05836 hours remaining, 206.601562 MB of memory in use. ENERGY: 3701600 736.3277 2101.5157 1944.7973 101.5222 -206416.9543 18264.9047 0.0000 0.0000 34378.1957 -148889.6909 300.2333 -183267.8867 -148787.0511 299.6438 243.1062 270.4086 557384.2060 19.2697 19.3470 PRESSURE: 3701800 34.273 -32.134 4.42386 -32.1337 -170.746 -165.929 4.425 -165.929 5.37279 GPRESSURE: 3701800 79.3161 -54.9196 34.6469 -8.65101 -159.347 -182.766 3.99306 -161.02 54.2045 PRESSAVG: 3701800 13.9219 19.8858 -48.235 19.8858 28.0957 57.7461 -48.235 57.7462 -7.88835 GPRESSAVG: 3701800 15.1984 20.6144 -46.3068 22.8262 27.6007 55.0644 -51.0702 60.6616 -8.54924 TIMING: 3701800 CPU: 11012.2, 0.0029225/step Wall: 11012.2, 0.0029225/step, 1.05389 hours remaining, 206.601562 MB of memory in use. ENERGY: 3701800 752.2252 2048.8105 1940.7797 110.1326 -205934.4190 17906.2200 0.0000 0.0000 34234.3664 -148941.8845 298.9772 -183176.2510 -148843.3953 300.6373 -43.7001 -8.6088 559954.0742 11.3764 11.4166 PRESSURE: 3702000 167.954 -9.06188 -19.7913 -9.06201 48.0862 75.0643 -19.7911 75.0631 -67.4402 GPRESSURE: 3702000 208.431 -58.289 -59.7333 17.791 66.873 156.734 42.098 46.2145 -44.3085 PRESSAVG: 3702000 -40.8123 -19.0818 24.2783 -19.0818 1.53551 44.3589 24.2782 44.3588 27.7093 GPRESSAVG: 3702000 -41.7987 -19.8113 21.8103 -21.4524 2.10856 47.4291 27.5912 42.2896 28.4553 TIMING: 3702000 CPU: 11012.8, 0.00293771/step Wall: 11012.8, 0.00293771/step, 1.05921 hours remaining, 206.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3702000 721.7476 2104.0771 1939.8986 105.8618 -206291.2727 17875.9379 0.0000 0.0000 34424.0524 -149119.6972 300.6338 -183543.7496 -149022.1061 300.2202 49.5332 76.9985 557499.4006 -3.8558 -3.7449 PRESSURE: 3702200 16.4412 64.7465 52.2303 64.7476 185.275 27.7972 52.2303 27.7961 -18.4212 GPRESSURE: 3702200 5.24987 49.2886 113.119 9.23606 230.307 39.6278 -32.3938 58.1243 50.9496 PRESSAVG: 3702200 20.9673 10.6342 22.8635 10.6342 44.7159 24.9082 22.8634 24.9081 -50.9327 GPRESSAVG: 3702200 20.6673 10.1107 24.7675 10.6387 46.5625 24.7565 19.7655 24.9141 -51.5355 TIMING: 3702200 CPU: 11013.4, 0.0029231/step Wall: 11013.4, 0.0029231/step, 1.05378 hours remaining, 206.601562 MB of memory in use. ENERGY: 3702200 758.7938 2034.1462 1953.3246 113.0125 -206257.1394 17861.1494 0.0000 0.0000 34351.6516 -149185.0613 300.0015 -183536.7129 -149087.2348 299.5976 61.0982 95.5021 556835.2810 4.9168 5.2314 PRESSURE: 3702400 70.7783 -14.7351 64.0042 -14.7356 42.2955 98.3575 64.0036 98.3575 -155.803 GPRESSURE: 3702400 96.0103 -5.54389 8.19325 -71 85.5683 138.3 -46.9075 100.024 -136.108 PRESSAVG: 3702400 81.4591 -9.17203 5.29823 -9.17194 -0.907799 6.14969 5.29813 6.14989 -27.6214 GPRESSAVG: 3702400 79.9113 -7.48756 2.10678 -10.5592 -1.04261 4.17079 7.88823 6.69806 -26.5872 TIMING: 3702400 CPU: 11014, 0.00296421/step Wall: 11014, 0.00296421/step, 1.06843 hours remaining, 206.601562 MB of memory in use. ENERGY: 3702400 770.1363 2037.7990 1936.9422 94.1044 -206212.8915 17849.4199 0.0000 0.0000 34293.5046 -149230.9851 299.4937 -183524.4897 -149137.9750 299.3469 -14.2430 15.1568 556809.5022 17.6433 17.4272 PRESSURE: 3702600 -120.148 -93.0222 10.4821 -93.0219 205.42 -69.9526 10.4816 -69.9522 -103.51 GPRESSURE: 3702600 -98.493 -20.7664 26.4872 -99.3362 213.935 -86.0066 64.9003 -65.8258 -41.8819 PRESSAVG: 3702600 41.288 -36.2371 15.1794 -36.2372 18.689 -41.3007 15.1794 -41.3007 -97.1105 GPRESSAVG: 3702600 42.5046 -36.8322 17.0534 -34.7456 18.0733 -40.8978 14.3498 -39.0893 -97.6618 TIMING: 3702600 CPU: 11014.5, 0.00291505/step Wall: 11014.5, 0.00291505/step, 1.05055 hours remaining, 206.601562 MB of memory in use. ENERGY: 3702600 737.2294 2078.4940 1929.9708 108.6989 -206292.5793 17971.3321 0.0000 0.0000 34250.3371 -149216.5169 299.1167 -183466.8540 -149118.2065 298.9437 -6.0792 24.5200 556643.3665 -12.3778 -12.3613 PRESSURE: 3702800 166.967 -79.4999 102.314 -79.5006 18.9509 -17.0805 102.314 -17.0808 -122.233 GPRESSURE: 3702800 138.449 -90.0056 79.6586 -116.501 76.8577 -99.2515 123.942 -19.7 -44.015 PRESSAVG: 3702800 -10.3812 -8.73575 6.63447 -8.73572 12.7679 -42.2371 6.63461 -42.2371 8.80609 GPRESSAVG: 3702800 -9.84402 -8.90909 5.41694 -9.04249 12.5215 -41.5847 7.3934 -44.308 8.65478 TIMING: 3702800 CPU: 11015.1, 0.00292718/step Wall: 11015.1, 0.00292718/step, 1.05476 hours remaining, 206.601562 MB of memory in use. ENERGY: 3702800 737.6005 2071.8763 1967.1251 130.0989 -206174.5120 17942.3114 0.0000 0.0000 34130.9887 -149194.5110 298.0744 -183325.4997 -149095.3411 299.2628 21.2283 57.0972 556709.4214 3.7309 3.7774 PRESSURE: 3703000 -67.3299 -43.3271 -52.7302 -43.3263 -60.1169 -86.7859 -52.7315 -86.787 -248.596 GPRESSURE: 3703000 -72.3728 -63.8987 -83.5736 -50.016 -18.9132 -109.65 -4.20934 -91.7241 -189.839 PRESSAVG: 3703000 15.0982 33.9779 7.68796 33.9778 31.3641 30.0083 7.68794 30.0083 -29.4367 GPRESSAVG: 3703000 13.5574 34.7096 8.38122 33.9513 32.0016 29.9224 7.25001 29.0362 -28.9173 TIMING: 3703000 CPU: 11015.7, 0.00295809/step Wall: 11015.7, 0.0029581/step, 1.06574 hours remaining, 206.601562 MB of memory in use. ENERGY: 3703000 775.6192 2104.4282 1920.1611 104.3723 -205903.5868 17789.8923 0.0000 0.0000 34156.2098 -149052.9038 298.2947 -183209.1136 -148963.6931 299.9034 -125.3476 -93.7083 558497.9462 5.6752 5.5472 PRESSURE: 3703200 154.431 -13.0426 -17.2314 -13.0432 26.8044 73.7761 -17.2316 73.7752 -38.2016 GPRESSURE: 3703200 200.023 84.5918 -7.84372 -178.132 104.127 42.595 -44.7104 -42.4349 -65.4013 PRESSAVG: 3703200 10.0266 -29.6006 39.5377 -29.6005 47.684 22.6817 39.5378 22.6816 -49.317 GPRESSAVG: 3703200 10.4524 -29.0198 41.1665 -29.8011 47.1904 21.5414 38.3412 24.3351 -49.373 TIMING: 3703200 CPU: 11016.3, 0.00296958/step Wall: 11016.3, 0.00296958/step, 1.06971 hours remaining, 206.601562 MB of memory in use. ENERGY: 3703200 755.2446 2073.7919 1931.7314 119.7310 -206095.0755 17743.4615 0.0000 0.0000 34306.7166 -149164.3985 299.6091 -183471.1151 -149078.2212 299.7625 47.6780 79.5827 557786.0656 2.7979 2.7566 PRESSURE: 3703400 134.903 -142.218 54.2414 -142.217 183.553 -29.1005 54.2434 -29.102 9.48397 GPRESSURE: 3703400 159.89 -198.633 105.626 -39.8444 242.561 -17.0532 -48.6728 -33.9999 23.1822 PRESSAVG: 3703400 0.788871 -5.77668 51.9079 -5.77651 78.8905 -14.2082 51.908 -14.2083 -21.7298 GPRESSAVG: 3703400 1.14641 -7.13009 51.756 -5.8184 79.1111 -11.8006 51.3013 -15.0599 -22.0831 TIMING: 3703400 CPU: 11016.9, 0.00296503/step Wall: 11016.9, 0.00296503/step, 1.0679 hours remaining, 206.601562 MB of memory in use. ENERGY: 3703400 767.1724 2055.7514 1954.1015 111.6129 -206599.5460 18071.6821 0.0000 0.0000 34468.7736 -149170.4522 301.0244 -183639.2258 -149073.9549 299.3415 109.3134 141.8776 557464.4191 19.3165 19.3915 PRESSURE: 3703600 -298.201 -75.0006 -9.74332 -74.9999 228.422 -139.199 -9.74367 -139.199 -297.135 GPRESSURE: 3703600 -317.502 -75.975 -67.6433 -93.4428 256.343 -191.682 158.516 -60.6045 -207.834 PRESSAVG: 3703600 23.7678 -39.2016 -15.4961 -39.2016 56.5229 12.4185 -15.4961 12.4185 -55.9897 GPRESSAVG: 3703600 23.8502 -38.2438 -16.7127 -39.1448 56.5119 12.0513 -13.0101 12.8033 -54.8273 TIMING: 3703600 CPU: 11017.5, 0.00297926/step Wall: 11017.5, 0.00297926/step, 1.07286 hours remaining, 206.601562 MB of memory in use. ENERGY: 3703600 806.8157 2090.0617 1947.7027 114.7629 -205943.3243 17785.9472 0.0000 0.0000 34152.2922 -149045.7419 298.2605 -183198.0341 -148939.6942 299.3261 -122.3047 -89.6644 558339.6872 8.1003 8.5116 PRESSURE: 3703800 13.6039 -10.9938 -206.294 -10.9935 -100.972 -65.6134 -206.293 -65.6144 -47.6459 GPRESSURE: 3703800 11.7972 17.3287 -219.944 -58.3327 -44.1511 -37.7634 -239.909 -76.4102 15.7867 PRESSAVG: 3703800 55.6602 -53.8828 -44.0203 -53.8828 -88.8641 -15.1104 -44.0205 -15.1106 18.4216 GPRESSAVG: 3703800 56.5147 -53.8877 -42.647 -54.594 -88.8225 -16.98 -43.9907 -15.2018 18.236 TIMING: 3703800 CPU: 11018.1, 0.00296056/step Wall: 11018.1, 0.00296056/step, 1.06597 hours remaining, 206.601562 MB of memory in use. ENERGY: 3703800 781.8752 2139.1583 1960.8499 113.6990 -205999.2380 17820.1686 0.0000 0.0000 34099.7773 -149083.7096 297.8018 -183183.4869 -148990.8338 298.9559 -45.0049 -5.5224 558642.3533 -4.9274 -4.6906 PRESSURE: 3704000 -86.28 -33.6452 60.6933 -33.6464 71.7184 -38.1423 60.6951 -38.142 -336.251 GPRESSURE: 3704000 -40.8908 43.7171 126.69 -107.111 94.9827 18.6311 -20.6936 -9.55693 -298.559 PRESSAVG: 3704000 10.2254 -39.9498 -46.4489 -39.9499 42.5301 -38.0251 -46.4488 -38.025 -19.8622 GPRESSAVG: 3704000 9.17973 -39.8015 -47.1443 -40.0082 41.5599 -37.1737 -50.0137 -36.6254 -18.2222 TIMING: 3704000 CPU: 11018.7, 0.00297076/step Wall: 11018.7, 0.00297076/step, 1.06948 hours remaining, 206.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3704000 730.2425 2114.1434 1930.4385 115.1215 -205889.6127 17635.4130 0.0000 0.0000 34168.1146 -149196.1393 298.3986 -183364.2539 -149096.7251 299.5169 -116.9376 -81.4892 558277.8730 10.9644 10.8392 PRESSURE: 3704200 -46.6884 50.9412 -98.6383 50.9418 96.8952 24.879 -98.6393 24.8792 -28.2333 GPRESSURE: 3704200 -27.0016 112.358 -56.5714 -7.30674 178.084 116.111 -186.338 -1.07706 -11.1918 PRESSAVG: 3704200 -63.1539 -29.4696 -5.11216 -29.4695 39.0511 -25.6493 -5.11221 -25.6492 7.58601 GPRESSAVG: 3704200 -63.7679 -30.0815 -6.16041 -27.4996 40.2779 -25.3041 -2.43723 -27.6394 6.74193 TIMING: 3704200 CPU: 11019.3, 0.00297148/step Wall: 11019.3, 0.00297148/step, 1.06957 hours remaining, 206.601562 MB of memory in use. ENERGY: 3704200 775.4379 2116.3094 1924.5223 102.0866 -205874.3276 17737.0717 0.0000 0.0000 34160.1240 -149058.7758 298.3289 -183218.8998 -148961.3585 299.4027 7.3245 46.6302 555909.2534 -5.5056 -5.5827 LDB: ============= START OF LOAD BALANCING ============== 11022.8 LDB: ============== END OF LOAD BALANCING =============== 11022.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11022.8 LDB: ============= START OF LOAD BALANCING ============== 11023.1 LDB: Largest compute 4802 load 0.025223 is 21.3% of average load 0.118242 LDB: Average compute 0.001726 is 1.5% of average load 0.118242 LDB: TIME 11023.1 LOAD: AVG 0.118242 MAX 0.19733 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.883 MB LDB: TIME 11023.1 LOAD: AVG 0.118242 MAX 0.19733 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.883 MB LDB: TIME 11023.1 LOAD: AVG 0.118242 MAX 0.19733 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.883 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11023.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11023.1 PRESSURE: 3704400 40.6967 -3.85309 12.2631 -3.85271 -192.391 -50.4482 12.2637 -50.4475 -70.9705 GPRESSURE: 3704400 98.6452 -61.6272 58.3788 -67.518 -162.548 31.7298 -17.2238 -92.5855 -52.1696 PRESSAVG: 3704400 -55.8899 -23.7018 -23.7504 -23.7018 11.7264 -38.1755 -23.7504 -38.1756 44.8442 GPRESSAVG: 3704400 -54.3877 -23.0054 -23.8971 -25.0925 11.2307 -36.9283 -23.4631 -38.3641 44.4533 TIMING: 3704400 CPU: 11019.9, 0.00301753/step Wall: 11019.9, 0.00301753/step, 1.08597 hours remaining, 208.792969 MB of memory in use. ENERGY: 3704400 755.0969 2126.1532 1942.2231 122.6923 -206341.5716 17855.4120 0.0000 0.0000 34436.9483 -149103.0458 300.7464 -183539.9941 -149012.5552 299.3981 -74.2217 -38.6907 557947.0405 0.2269 0.4321 PRESSURE: 3704600 -24.5995 -89.3443 -92.8119 -89.3451 49.3727 230.664 -92.8113 230.663 -13.2544 GPRESSURE: 3704600 -7.15973 -28.2023 -86.4275 -73.2536 108.157 246.634 -72.953 136.819 2.38794 PRESSAVG: 3704600 -21.1819 -33.7747 22.2822 -33.7747 -9.95548 18.2837 22.2822 18.2838 50.7189 GPRESSAVG: 3704600 -21.6566 -34.645 24.0959 -34.4172 -10.3626 16.0567 21.8296 19.2757 51.2136 TIMING: 3704600 CPU: 11020.5, 0.00295883/step Wall: 11020.5, 0.00295883/step, 1.06469 hours remaining, 208.996094 MB of memory in use. ENERGY: 3704600 752.8442 2156.4406 1926.9096 103.1906 -206170.6534 17781.9640 0.0000 0.0000 34342.3680 -149106.9364 299.9204 -183449.3044 -149019.4025 300.0657 3.8396 34.4617 557630.2152 6.5272 6.3981 PRESSURE: 3704800 184.696 5.60446 -99.3149 5.60591 -208.568 54.3276 -99.3163 54.3288 -192.039 GPRESSURE: 3704800 218.433 35.7808 -68.3913 40.6726 -149.228 83.7259 -53.3976 91.5708 -190.108 PRESSAVG: 3704800 38.0866 66.221 0.219646 66.2209 -16.9192 35.5965 0.219577 35.5965 -37.2661 GPRESSAVG: 3704800 38.5701 67.2295 0.639688 65.3774 -17.3769 35.6052 -0.0204054 35.8838 -37.0453 TIMING: 3704800 CPU: 11021.1, 0.0029634/step Wall: 11021.1, 0.0029634/step, 1.06616 hours remaining, 208.996094 MB of memory in use. ENERGY: 3704800 767.6720 2132.2648 1982.7155 104.3734 -206119.6699 17754.1335 0.0000 0.0000 34351.4400 -149027.0708 299.9997 -183378.5108 -148933.8504 299.8857 -71.9704 -40.3010 556779.3245 -5.3663 -5.2840 PRESSURE: 3705000 105.482 9.68651 -49.5822 9.68651 -6.1649 66.6478 -49.5823 66.6469 106.72 GPRESSURE: 3705000 145.71 -65.4293 -10.4191 79.2166 82.5614 136.189 -103.399 72.243 73.911 PRESSAVG: 3705000 -24.8831 -46.6752 6.1116 -46.6752 18.0522 12.1015 6.11153 12.1015 16.9722 GPRESSAVG: 3705000 -25.0633 -50.6479 4.67089 -44.0035 19.5739 15.0247 3.83021 9.60804 15.5638 TIMING: 3705000 CPU: 11021.7, 0.00297553/step Wall: 11021.7, 0.00297553/step, 1.07036 hours remaining, 208.996094 MB of memory in use. ENERGY: 3705000 738.7683 2083.0365 1937.7905 104.1087 -206170.5966 17916.9960 0.0000 0.0000 34233.7776 -149156.1190 298.9721 -183389.8966 -149065.4928 299.1706 68.6789 100.7274 557520.8957 3.3805 3.3581 PRESSURE: 3705200 86.3262 -8.22792 -39.9084 -8.22714 -159.759 -36.5348 -39.9079 -36.535 -235.592 GPRESSURE: 3705200 88.5436 -67.6541 -52.0743 77.4998 -101.397 -54.9303 -90.1605 -21.7654 -190.784 PRESSAVG: 3705200 16.9476 -22.4149 -15.7113 -22.4149 -30.2006 -41.1247 -15.7112 -41.1247 41.4806 GPRESSAVG: 3705200 15.7763 -20.4487 -16.9155 -25.4743 -30.6548 -43.5945 -13.3946 -38.3981 42.3867 TIMING: 3705200 CPU: 11022.3, 0.00296882/step Wall: 11022.3, 0.00296882/step, 1.06778 hours remaining, 208.996094 MB of memory in use. ENERGY: 3705200 756.6811 2047.1819 1946.6749 98.2343 -206085.5448 17728.5047 0.0000 0.0000 34352.1960 -149156.0720 300.0063 -183508.2680 -149056.3090 298.8026 -103.0084 -67.8791 557496.1255 9.4092 9.1694 PRESSURE: 3705400 -197.918 -138.252 -68.9155 -138.252 97.0259 168.858 -68.9137 168.858 -56.9516 GPRESSURE: 3705400 -155.329 -103.259 -56.749 -162.55 121.669 111.078 -22.8819 160.843 -32.1036 PRESSAVG: 3705400 -18.2056 -49.6385 -52.7992 -49.6387 35.7695 -2.91409 -52.7992 -2.91422 -0.741576 GPRESSAVG: 3705400 -17.7337 -48.6843 -50.994 -49.3088 36.2755 -1.56831 -53.0338 -4.96967 -0.852769 TIMING: 3705400 CPU: 11022.8, 0.00293497/step Wall: 11022.8, 0.00293497/step, 1.05545 hours remaining, 208.996094 MB of memory in use. ENERGY: 3705400 756.5113 2070.6681 1974.5667 114.4097 -205876.7082 17626.6817 0.0000 0.0000 34269.9907 -149063.8800 299.2884 -183333.8707 -148964.2096 298.9610 -52.6145 -21.9211 556647.6445 5.6074 5.8963 PRESSURE: 3705600 -72.5693 12.562 -91.5358 12.5616 50.9541 64.1115 -91.5354 64.1103 110.759 GPRESSURE: 3705600 -23.3036 61.2618 -147.829 -42.2289 76.0223 56.1438 -94.4112 44.1599 144.694 PRESSAVG: 3705600 -30.5084 -16.9687 -30.7711 -16.9687 7.28914 -3.51329 -30.7711 -3.51328 31.9907 GPRESSAVG: 3705600 -29.5736 -17.915 -31.7533 -16.3957 8.11465 -4.42654 -29.4339 -3.9387 30.445 TIMING: 3705600 CPU: 11023.4, 0.0029679/step Wall: 11023.4, 0.0029679/step, 1.06712 hours remaining, 208.996094 MB of memory in use. ENERGY: 3705600 744.5486 2091.1550 1926.7332 108.9301 -206126.7115 17756.3466 0.0000 0.0000 34375.6550 -149123.3431 300.2111 -183498.9981 -149033.3031 299.4469 29.7146 65.8041 556799.1994 2.9238 2.9953 PRESSURE: 3705800 -115.625 -63.422 116.113 -63.4217 21.2474 0.36222 116.112 0.363778 -245.277 GPRESSURE: 3705800 -104.788 6.2998 64.8949 -140.583 106.293 65.2185 211.687 -127.789 -246.082 PRESSAVG: 3705800 28.5437 -35.1629 -20.4228 -35.1628 37.2871 18.7272 -20.4229 18.7273 -34.5907 GPRESSAVG: 3705800 29.0005 -33.6382 -20.3465 -35.9767 36.2194 19.2563 -19.9808 19.782 -34.2619 TIMING: 3705800 CPU: 11024, 0.00295699/step Wall: 11024, 0.00295699/step, 1.06304 hours remaining, 208.996094 MB of memory in use. ENERGY: 3705800 714.8122 2105.2419 1920.5052 125.9354 -206303.0225 17713.7846 0.0000 0.0000 34511.1434 -149211.5998 301.3944 -183722.7432 -149110.5082 299.5310 -113.2183 -81.5259 556858.1013 10.4134 10.3193 PRESSURE: 3706000 -139.756 -31.4546 -110.367 -31.456 -71.4084 150.024 -110.367 150.025 211.84 GPRESSURE: 3706000 -82.3103 26.762 -15.3859 -63.537 -64.1659 178.39 -105.698 128.221 231.889 PRESSAVG: 3706000 33.0702 -39.2136 -10.9473 -39.2137 76.2108 36.9383 -10.9473 36.9383 -46.0328 GPRESSAVG: 3706000 33.1261 -39.5556 -10.2323 -38.539 76.335 39.2811 -13.0725 35.4042 -46.4304 TIMING: 3706000 CPU: 11024.6, 0.00293351/step Wall: 11024.6, 0.00293351/step, 1.05443 hours remaining, 208.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3706000 747.8707 2114.2407 1934.0491 105.0949 -206156.6023 17767.7412 0.0000 0.0000 34207.1142 -149280.4915 298.7392 -183487.6057 -149182.8180 299.6028 0.2252 28.4709 557575.5631 21.0827 21.0102 PRESSURE: 3706200 -247.836 -89.2344 142.105 -89.2342 -104.468 -60.3124 142.106 -60.3112 -13.2398 GPRESSURE: 3706200 -243.131 -156.041 60.1603 -92.5741 -68.2274 2.17496 167.343 -73.9362 46.2445 PRESSAVG: 3706200 -66.1818 -1.55793 18.1433 -1.5579 81.6464 -37.505 18.1434 -37.5049 -18.439 GPRESSAVG: 3706200 -66.416 -1.65765 15.8231 -2.3358 81.8073 -41.177 18.4357 -35.7739 -17.8923 TIMING: 3706200 CPU: 11025.2, 0.00293268/step Wall: 11025.2, 0.00293268/step, 1.05397 hours remaining, 208.996094 MB of memory in use. ENERGY: 3706200 767.4908 2061.4311 1921.5661 113.2381 -206246.2229 17787.3498 0.0000 0.0000 34329.3456 -149265.8012 299.8067 -183595.1469 -149167.9440 298.9351 -121.8479 -88.3714 557129.9087 -0.9915 -0.8337 PRESSURE: 3706400 146.969 -178.623 -47.7118 -178.622 265.772 111.389 -47.7118 111.389 217.725 GPRESSURE: 3706400 223.12 -128.27 -58.5626 -244.502 308.281 179.885 -95.8703 133.208 210.115 PRESSAVG: 3706400 17.3526 -9.49571 9.20706 -9.4957 36.2835 -40.3773 9.20709 -40.3773 -1.06949 GPRESSAVG: 3706400 17.2795 -9.13974 7.90636 -7.94451 37.0373 -38.3263 10.767 -40.529 -1.59375 TIMING: 3706400 CPU: 11025.8, 0.00296343/step Wall: 11025.8, 0.00296343/step, 1.06486 hours remaining, 208.996094 MB of memory in use. ENERGY: 3706400 741.4195 2107.4113 1918.8544 100.3345 -206466.5713 18095.9670 0.0000 0.0000 34308.5041 -149194.0805 299.6247 -183502.5846 -149095.3317 299.1935 210.1554 247.1719 555716.0489 17.5222 17.5743 PRESSURE: 3706600 -243.748 100.624 -56.6773 100.623 6.6619 156.805 -56.6771 156.805 -189.497 GPRESSURE: 3706600 -242.579 11.5348 -2.85198 116.539 -9.53412 137.899 -83.4321 285.276 -82.4582 PRESSAVG: 3706600 -36.2918 16.2369 -12.8729 16.2369 -4.79714 44.362 -12.8729 44.3619 71.843 GPRESSAVG: 3706600 -36.476 15.9466 -10.7613 15.0046 -5.05365 42.349 -12.465 44.0703 72.0203 TIMING: 3706600 CPU: 11026.4, 0.00296486/step Wall: 11026.4, 0.00296486/step, 1.06521 hours remaining, 208.996094 MB of memory in use. ENERGY: 3706600 767.4792 2021.9444 1919.1019 117.2831 -205835.0669 17571.3550 0.0000 0.0000 34301.4993 -149136.4040 299.5635 -183437.9033 -149044.8628 298.8175 -142.1944 -111.5238 557113.9957 10.2514 10.1635 PRESSURE: 3706800 174.227 23.548 14.2264 23.5488 47.7622 -8.69963 14.2255 -8.70004 118.252 GPRESSURE: 3706800 128.937 62.992 155.839 18.9766 119.059 -33.4514 -9.79944 39.8778 178.039 PRESSAVG: 3706800 38.5447 -56.7528 -9.15189 -56.7528 -33.286 -6.98973 -9.1519 -6.98976 12.4285 GPRESSAVG: 3706800 39.3854 -58.2094 -8.02416 -54.1465 -34.4938 -7.17025 -11.0779 -6.74871 12.5441 TIMING: 3706800 CPU: 11027, 0.00295692/step Wall: 11027, 0.00295692/step, 1.06219 hours remaining, 208.996094 MB of memory in use. ENERGY: 3706800 720.1475 2074.1167 1969.7343 118.0643 -205997.7992 17798.1804 0.0000 0.0000 34264.5118 -149053.0442 299.2405 -183317.5560 -148958.4422 299.0644 113.4137 142.0115 555850.4702 5.8957 5.8119 PRESSURE: 3707000 -86.3122 -52.1053 21.7064 -52.1048 51.6115 94.9521 21.7075 94.9517 -118.904 GPRESSURE: 3707000 -67.7716 50.3479 16.141 -65.8043 61.7086 0.202459 64.8349 114.872 -52.7761 PRESSAVG: 3707000 30.5908 -28.5056 11.5759 -28.5055 -6.79939 1.70961 11.576 1.70957 -31.4712 GPRESSAVG: 3707000 30.088 -26.7939 10.7147 -28.9511 -5.58576 2.67871 14.0226 2.66973 -31.5719 TIMING: 3707000 CPU: 11027.6, 0.00294786/step Wall: 11027.6, 0.00294786/step, 1.05877 hours remaining, 208.996094 MB of memory in use. ENERGY: 3707000 772.9259 2029.5679 1959.9550 119.9959 -205977.4361 17800.9004 0.0000 0.0000 34149.5083 -149144.5827 298.2361 -183294.0910 -149051.5493 299.4024 -51.2015 -19.6130 557367.5754 -2.5599 -2.3566 PRESSURE: 3707200 -101.712 -1.56959 139.779 -1.56935 -8.03654 -38.6552 139.778 -38.6557 -90.8724 GPRESSURE: 3707200 -40.3654 27.296 69.8328 34.9153 -9.07345 -70.3148 160.279 -40.2818 -78.6322 PRESSAVG: 3707200 39.3715 -9.38903 12.3458 -9.38901 -25.0304 15.6312 12.3458 15.6311 5.00234 GPRESSAVG: 3707200 39.5963 -9.99485 13.19 -10.2417 -24.7712 15.7702 8.82319 16.0387 3.6893 TIMING: 3707200 CPU: 11028.2, 0.00295182/step Wall: 11028.2, 0.00295182/step, 1.06003 hours remaining, 208.996094 MB of memory in use. ENERGY: 3707200 724.6776 2138.1963 1949.2672 128.0155 -206040.8114 17567.8408 0.0000 0.0000 34488.0095 -149044.8046 301.1924 -183532.8141 -148947.6537 299.3679 -66.8737 -42.6903 556526.7809 6.4478 6.1715 PRESSURE: 3707400 -165.652 42.4169 213.705 42.4177 93.4659 -22.1762 213.705 -22.1767 -219.883 GPRESSURE: 3707400 -130.57 45.9523 244.287 -0.220702 120.253 -35.6318 144.356 -36.3815 -185.885 PRESSAVG: 3707400 -5.13476 2.68269 -17.377 2.68273 40.5256 -3.78557 -17.377 -3.78557 -63.8354 GPRESSAVG: 3707400 -5.35114 3.27448 -15.5149 1.60099 39.8504 -4.2397 -17.7087 -5.84869 -63.0807 TIMING: 3707400 CPU: 11028.8, 0.00296381/step Wall: 11028.8, 0.00296381/step, 1.06417 hours remaining, 208.996094 MB of memory in use. ENERGY: 3707400 751.4820 2091.1634 1926.7115 118.2684 -205811.3110 17621.7288 0.0000 0.0000 34233.7712 -149068.1856 298.9720 -183301.9568 -148977.5491 299.8996 -97.3565 -65.4008 557296.0050 -9.4815 -9.5271 PRESSURE: 3707600 -169.217 -62.2833 -100.938 -62.2851 246.151 -90.6123 -100.939 -90.6141 -103.533 GPRESSURE: 3707600 -69.114 12.6932 -122.176 -68.2715 284.208 -95.9291 -40.9703 -81.3843 -134.136 PRESSAVG: 3707600 23.1135 -2.50969 40.8912 -2.50973 43.633 -25.7322 40.8911 -25.7324 -70.9888 GPRESSAVG: 3707600 23.7134 0.274689 39.1169 -1.6621 43.6445 -25.7388 41.814 -23.8816 -71.1235 TIMING: 3707600 CPU: 11029.3, 0.0029303/step Wall: 11029.3, 0.0029303/step, 1.05198 hours remaining, 208.996094 MB of memory in use. ENERGY: 3707600 715.3995 2094.9238 1930.8361 123.1675 -205976.0154 17693.2448 0.0000 0.0000 34305.0475 -149113.3962 299.5945 -183418.4437 -149013.2411 299.7674 -8.8662 26.9859 557378.0785 -1.4141 -1.2552 PRESSURE: 3707800 -43.4215 191.247 113.892 191.247 -109.848 -15.1323 113.894 -15.1313 114.535 GPRESSURE: 3707800 40.5829 82.2712 129.648 184.128 -109.483 -36.4735 107.858 23.3962 142.58 PRESSAVG: 3707800 -5.40586 -18.6049 27.2904 -18.6048 30.9893 4.29762 27.2904 4.29761 -6.19994 GPRESSAVG: 3707800 -3.93341 -20.4903 27.1282 -18.9391 29.8717 2.11578 28.2173 4.78371 -5.90958 TIMING: 3707800 CPU: 11029.9, 0.00295023/step Wall: 11029.9, 0.00295023/step, 1.05897 hours remaining, 208.996094 MB of memory in use. ENERGY: 3707800 746.5133 1997.2658 1951.5696 104.2104 -205982.3195 17687.4662 0.0000 0.0000 34386.5696 -149108.7247 300.3065 -183495.2943 -149005.3209 299.8246 -12.9117 24.5600 556660.6620 6.4612 6.6762 PRESSURE: 3708000 93.8093 -154.885 40.3459 -154.884 -176.955 -28.226 40.3467 -28.2263 -132.865 GPRESSURE: 3708000 161.095 -255.524 98.3697 -134.153 -194.363 -6.24574 50.5658 -75.7075 -81.315 PRESSAVG: 3708000 28.8962 -6.0376 -27.8434 -6.03757 -25.2196 14.6026 -27.8434 14.6026 -9.64969 GPRESSAVG: 3708000 25.9323 -6.42812 -28.9582 -7.11253 -24.1323 16.2211 -26.6444 14.3314 -8.1192 TIMING: 3708000 CPU: 11030.5, 0.00292806/step Wall: 11030.5, 0.00292806/step, 1.05085 hours remaining, 208.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3708000 750.2499 2003.7010 1933.4780 118.1542 -205609.2476 17404.3543 0.0000 0.0000 34481.6425 -148917.6678 301.1368 -183399.3103 -148821.5135 299.9066 -72.0036 -38.1944 557074.7045 -1.9910 -2.1064 PRESSURE: 3708200 -307.823 -99.6738 90.189 -99.6751 -94.6891 45.2622 90.1889 45.2612 68.713 GPRESSURE: 3708200 -236.957 -95.5129 9.36745 0.338305 -63.5446 77.0596 20.7233 9.23992 57.0027 PRESSAVG: 3708200 40.6529 -36.7628 9.03772 -36.7628 -32.9683 -27.7185 9.03759 -27.7186 -26.3918 GPRESSAVG: 3708200 40.4534 -35.8874 10.8954 -36.2103 -32.66 -27.409 6.99378 -28.6026 -26.3416 TIMING: 3708200 CPU: 11031.1, 0.0029487/step Wall: 11031.1, 0.0029487/step, 1.05809 hours remaining, 208.996094 MB of memory in use. ENERGY: 3708200 794.0623 2064.3960 1934.3979 112.5763 -205774.0863 17517.5130 0.0000 0.0000 34391.8202 -148959.3207 300.3523 -183351.1409 -148868.7548 299.6470 -111.2665 -81.1664 557370.5695 -6.2357 -6.1827 LDB: ============= START OF LOAD BALANCING ============== 11034.7 LDB: ============== END OF LOAD BALANCING =============== 11034.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11034.7 LDB: ============= START OF LOAD BALANCING ============== 11035 LDB: Largest compute 4802 load 0.024520 is 20.7% of average load 0.118170 LDB: Average compute 0.001726 is 1.5% of average load 0.118170 LDB: TIME 11035 LOAD: AVG 0.11817 MAX 0.198346 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 11035 LOAD: AVG 0.11817 MAX 0.198346 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: TIME 11035 LOAD: AVG 0.11817 MAX 0.198346 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: ============== END OF LOAD BALANCING =============== 11035 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11035 PRESSURE: 3708400 24.998 -84.6677 41.1483 -84.6708 210.704 35.6131 41.1466 35.6114 -213.413 GPRESSURE: 3708400 71.5671 -81.5795 91.3033 -47.8609 218.855 -107.928 -45.3321 83.3343 -162.952 PRESSAVG: 3708400 70.7103 24.3933 22.7363 24.3934 -5.60848 -23.285 22.7362 -23.285 -89.5916 GPRESSAVG: 3708400 72.0051 26.1436 20.2913 23.1866 -6.13562 -22.571 25.623 -23.9638 -90.4479 TIMING: 3708400 CPU: 11031.7, 0.00303307/step Wall: 11031.7, 0.00303307/step, 1.0882 hours remaining, 206.742188 MB of memory in use. ENERGY: 3708400 723.9532 2062.6839 1937.4156 115.6037 -206006.7733 17704.2904 0.0000 0.0000 34476.2364 -148986.5900 301.0895 -183462.8264 -148891.0094 299.6420 7.4296 42.4898 557019.0029 -8.1633 -8.1928 PRESSURE: 3708600 -115.793 58.0423 -116.893 58.0421 113.828 28.4165 -116.894 28.4177 -133.317 GPRESSURE: 3708600 -43.1997 98.3879 -189.903 49.9588 77.2238 109.945 -97.8045 -13.6542 -80.79 PRESSAVG: 3708600 103.871 2.24264 -31.791 2.24252 -19.5397 21.442 -31.791 21.4421 -60.1839 GPRESSAVG: 3708600 103.424 0.565959 -30.3255 4.02345 -19.047 18.9064 -34.4798 23.1255 -59.8631 TIMING: 3708600 CPU: 11032.3, 0.0029692/step Wall: 11032.3, 0.0029692/step, 1.06512 hours remaining, 206.742188 MB of memory in use. ENERGY: 3708600 757.9083 2124.1659 1950.3824 114.4137 -206136.6570 17807.9022 0.0000 0.0000 34235.4987 -149146.3858 298.9871 -183381.8845 -149051.2588 298.9241 -45.0942 -15.5886 557534.0505 8.0490 8.1714 PRESSURE: 3708800 -304.926 -113.113 -57.9417 -113.113 4.05414 -99.3739 -57.942 -99.3738 -179.07 GPRESSURE: 3708800 -276.28 -139.71 -38.5442 -141.428 77.9338 -84.2474 -122.905 10.5732 -175.2 PRESSAVG: 3708800 59.049 29.9371 -36.615 29.9372 -54.0418 -13.0695 -36.6151 -13.0694 25.3061 GPRESSAVG: 3708800 60.0402 27.9005 -36.3445 28.3306 -54.026 -12.6592 -34.7104 -12.4593 24.3225 TIMING: 3708800 CPU: 11032.9, 0.00293852/step Wall: 11032.9, 0.00293852/step, 1.05395 hours remaining, 206.742188 MB of memory in use. ENERGY: 3708800 744.4372 2096.2728 1937.5127 112.7050 -205830.9921 17530.6681 0.0000 0.0000 34365.5830 -149043.8135 300.1232 -183409.3964 -148941.3632 298.8905 -159.9804 -124.5152 556906.1032 10.1044 10.1122 PRESSURE: 3709000 48.7678 -51.5767 153.101 -51.5786 38.4876 84.2141 153.102 84.2135 216.606 GPRESSURE: 3709000 88.6435 -1.73462 -42.4625 -38.6765 50.0763 -19.2185 245.761 132.746 252.13 PRESSAVG: 3709000 46.4964 26.6963 -81.765 26.6963 11.2701 -36.159 -81.765 -36.159 -36.9866 GPRESSAVG: 3709000 45.7781 29.1511 -83.6972 27.4166 12.3639 -35.5357 -81.4633 -35.3729 -36.9485 TIMING: 3709000 CPU: 11033.5, 0.00293924/step Wall: 11033.5, 0.00293924/step, 1.05404 hours remaining, 206.742188 MB of memory in use. ENERGY: 3709000 720.2306 2152.5493 1948.8269 109.7642 -205953.4273 17765.9017 0.0000 0.0000 34266.6005 -148989.5540 299.2587 -183256.1545 -148898.8496 299.6634 101.2871 130.2831 556969.9642 6.9266 7.0645 PRESSURE: 3709200 4.77535 126.65 101.689 126.65 -1.18487 -84.0335 101.688 -84.0332 -197.672 GPRESSURE: 3709200 72.7322 184.72 176.828 130.85 32.9664 -112.243 4.27857 -1.22144 -197.107 PRESSAVG: 3709200 22.9817 36.4524 -19.9113 36.4524 -18.1548 21.164 -19.9112 21.164 2.18021 GPRESSAVG: 3709200 23.239 37.219 -18.0201 35.132 -19.6167 21.7085 -20.7016 17.4813 3.57851 TIMING: 3709200 CPU: 11034.1, 0.00298744/step Wall: 11034.1, 0.00298744/step, 1.07116 hours remaining, 206.742188 MB of memory in use. ENERGY: 3709200 722.1404 2150.1132 1961.4925 114.3671 -205907.6571 17613.6320 0.0000 0.0000 34377.6181 -148968.2937 300.2283 -183345.9118 -148870.7237 300.5138 -64.6938 -30.4694 556338.0545 2.3357 2.4003 PRESSURE: 3709400 -267.836 138.046 -201.904 138.046 180.683 74.7381 -201.905 74.7378 -142.421 GPRESSURE: 3709400 -275.537 195.413 -208.21 117.725 210.67 -93.2659 -168.763 178.202 -76.386 PRESSAVG: 3709400 -20.8295 -8.05753 -23.4086 -8.05754 25.7486 -6.4701 -23.4086 -6.46997 -25.876 GPRESSAVG: 3709400 -20.6809 -9.33421 -23.5899 -6.87285 26.2526 -8.17774 -24.6494 -5.12248 -27.1971 TIMING: 3709400 CPU: 11034.7, 0.00298486/step Wall: 11034.7, 0.00298486/step, 1.07007 hours remaining, 206.742188 MB of memory in use. ENERGY: 3709400 774.8432 2051.2143 1956.5014 115.2278 -205834.8128 17657.6324 0.0000 0.0000 34474.8378 -148804.5559 301.0773 -183279.3936 -148710.9278 300.5121 -76.5244 -47.0843 557229.2968 -6.9856 -7.2084 PRESSURE: 3709600 -153.36 182.374 83.2166 182.374 -6.809 -44.8614 83.2156 -44.8611 242.608 GPRESSURE: 3709600 -100.717 200.32 111.263 90.4802 17.8669 -63.4053 102.429 -125.872 263.342 PRESSAVG: 3709600 35.1763 -8.60528 14.5371 -8.60524 -72.1205 -13.0423 14.5371 -13.0422 30.149 GPRESSAVG: 3709600 33.3732 -8.3309 14.5796 -7.76753 -72.5958 -13.0419 13.4873 -12.7009 32.1721 TIMING: 3709600 CPU: 11035.3, 0.00292439/step Wall: 11035.3, 0.00292439/step, 1.04823 hours remaining, 206.742188 MB of memory in use. ENERGY: 3709600 754.8917 2100.1447 1951.4296 122.3742 -205973.4412 17786.5119 0.0000 0.0000 34274.1277 -148983.9615 299.3245 -183258.0892 -148879.8814 300.4624 27.4796 60.1640 555531.5523 -2.2651 -2.3502 PRESSURE: 3709800 -253.195 -41.078 -135.441 -41.0781 33.2211 6.02812 -135.442 6.02914 136.474 GPRESSURE: 3709800 -164.307 -53.1539 -91.1291 16.1698 26.659 -12.1256 -125.287 -38.7095 158.27 PRESSAVG: 3709800 -90.9273 30.6482 -9.5277 30.6483 32.6415 23.3637 -9.52775 23.3638 111.04 GPRESSAVG: 3709800 -89.8528 30.2591 -9.95833 32.4102 31.4433 23.6697 -8.86702 24.7251 111.008 TIMING: 3709800 CPU: 11035.8, 0.00293745/step Wall: 11035.8, 0.00293745/step, 1.05275 hours remaining, 206.742188 MB of memory in use. ENERGY: 3709800 765.8364 2070.7158 1947.7725 123.1553 -206073.1719 17795.2081 0.0000 0.0000 34420.1849 -148950.2989 300.6000 -183370.4838 -148856.1304 299.6242 -27.8333 6.8739 557261.8850 17.5847 17.5329 PRESSURE: 3710000 221.647 -84.4924 -89.1039 -84.4934 193.449 -142.54 -89.1053 -142.54 -57.0395 GPRESSURE: 3710000 307.442 -77.4001 -62.6982 -77.0129 137.657 -185.218 -55.9546 -112.82 8.52672 PRESSAVG: 3710000 -17.0498 -23.5874 18.1018 -23.5874 -34.0855 40.3481 18.1017 40.3481 34.4746 GPRESSAVG: 3710000 -16.1785 -23.9894 18.863 -24.4423 -33.7474 41.2474 19.4907 39.8126 33.386 TIMING: 3710000 CPU: 11036.4, 0.00294644/step Wall: 11036.4, 0.00294644/step, 1.05581 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3710000 717.9224 2031.3801 1935.4516 119.5028 -205989.9183 17805.4178 0.0000 0.0000 34378.9311 -149001.3126 300.2398 -183380.2437 -148903.2765 299.9347 119.3520 151.2089 557794.7790 -5.5536 -5.5133 PRESSURE: 3710200 -161.012 93.3797 26.5598 93.3792 -447.555 42.3392 26.5592 42.3398 -363.257 GPRESSURE: 3710200 -190.582 71.6109 -33.7117 83.5303 -390.259 -24.8873 -14.1065 85.1906 -286.83 PRESSAVG: 3710200 -6.20255 -10.9297 42.1486 -10.9298 -40.2439 18.6647 42.1488 18.6647 9.02384 GPRESSAVG: 3710200 -6.63699 -10.9421 39.9035 -12.8681 -40.1836 19.5209 42.2747 17.6824 9.20365 TIMING: 3710200 CPU: 11037, 0.00293404/step Wall: 11037, 0.00293404/step, 1.0512 hours remaining, 206.742188 MB of memory in use. ENERGY: 3710200 756.1444 2077.3192 1929.2307 115.4981 -205335.9210 17507.1084 0.0000 0.0000 33947.2133 -149003.4069 296.4695 -182950.6202 -148907.5157 299.5363 -323.9414 -289.2235 560689.3799 -12.4742 -12.5390 PRESSURE: 3710400 -59.6525 124.324 77.3823 124.324 79.6903 -53.4408 77.3818 -53.4405 97.0988 GPRESSURE: 3710400 -49.1327 185.675 53.3698 87.6843 124.911 -46.5839 20.3292 -35.4493 140.014 PRESSAVG: 3710400 -5.33323 -42.0812 -14.2579 -42.0813 11.8189 -40.5265 -14.2578 -40.5266 7.47689 GPRESSAVG: 3710400 -6.5815 -41.9366 -13.3836 -41.8074 13.0889 -39.0339 -13.4518 -41.7387 6.95858 TIMING: 3710400 CPU: 11037.6, 0.0029077/step Wall: 11037.6, 0.0029077/step, 1.0416 hours remaining, 206.742188 MB of memory in use. ENERGY: 3710400 737.9645 2129.3330 1937.0856 122.2840 -206438.9335 17986.9870 0.0000 0.0000 34313.7405 -149211.5388 299.6704 -183525.2794 -149104.4304 299.4581 39.0455 71.9308 558677.5079 4.6542 4.4887 PRESSURE: 3710600 280.968 -46.1892 -146.474 -46.189 194.136 49.3735 -146.475 49.3737 98.8705 GPRESSURE: 3710600 331.477 -0.108895 -65.1651 -98.951 253.709 1.85356 -122.237 74.4877 82.3255 PRESSAVG: 3710600 1.97387 67.7226 3.4731 67.7226 -14.8813 -2.07141 3.4731 -2.07144 21.5466 GPRESSAVG: 3710600 3.63196 67.912 6.68801 69.6794 -15.212 -3.6162 4.22798 -0.293813 20.9798 TIMING: 3710600 CPU: 11038.2, 0.00293381/step Wall: 11038.2, 0.00293381/step, 1.05079 hours remaining, 206.742188 MB of memory in use. ENERGY: 3710600 738.8831 2053.8058 1922.7478 117.2350 -206241.0635 18002.0822 0.0000 0.0000 34262.5132 -149143.7963 299.2230 -183406.3095 -149048.7705 299.1543 191.3247 222.5039 558675.4212 2.8797 3.1333 PRESSURE: 3710800 174.017 121.804 -4.10603 121.806 325.4 113.496 -4.10531 113.497 64.6032 GPRESSURE: 3710800 193.845 63.1154 -15.2092 134.997 364.523 130.143 15.399 61.1425 106.691 PRESSAVG: 3710800 14.3903 46.5304 7.51047 46.5304 -16.5566 2.89272 7.51054 2.89282 7.66169 GPRESSAVG: 3710800 14.3244 47.0405 5.96101 44.5436 -17.1398 2.34759 7.2284 3.44921 8.44411 TIMING: 3710800 CPU: 11038.8, 0.00295162/step Wall: 11038.8, 0.00295162/step, 1.05701 hours remaining, 206.742188 MB of memory in use. ENERGY: 3710800 704.1301 2109.1400 1922.1627 111.4281 -206362.8519 18077.2002 0.0000 0.0000 34220.9440 -149217.8468 298.8600 -183438.7907 -149130.3170 298.9709 188.0067 221.6862 558182.2122 1.8318 1.8762 PRESSURE: 3711000 -107.355 50.6135 -12.1707 50.6124 -288.169 8.95143 -12.1706 8.95215 113.105 GPRESSURE: 3711000 -59.3823 19.0773 -103.248 114.864 -281.109 18.6546 -3.81101 101.132 153.504 PRESSAVG: 3711000 48.7561 10.8155 47.1975 10.8154 -35.7632 -45.4467 47.1976 -45.4467 -12.7456 GPRESSAVG: 3711000 47.4068 9.85356 46.6004 11.6717 -34.3957 -46.1399 45.6891 -44.5214 -12.9873 TIMING: 3711000 CPU: 11039.4, 0.00295659/step Wall: 11039.4, 0.00295659/step, 1.05862 hours remaining, 206.742188 MB of memory in use. ENERGY: 3711000 764.8669 2073.5731 1931.2123 107.0924 -206377.4016 17797.7762 0.0000 0.0000 34380.1424 -149322.7381 300.2503 -183702.8805 -149231.1555 298.7551 -94.1397 -62.3289 557871.5049 0.0824 0.0079 PRESSURE: 3711200 286.714 2.19807 55.9497 2.1993 99.578 47.541 55.9521 47.5396 -70.8536 GPRESSURE: 3711200 278.686 -116.861 85.3674 83.9721 150.854 40.9718 -7.18171 4.05992 -20.8001 PRESSAVG: 3711200 35.4201 8.35676 -14.7489 8.35671 -0.87865 5.04452 -14.749 5.04451 -16.1031 GPRESSAVG: 3711200 35.7301 8.90099 -14.5939 8.09985 -1.72117 4.73599 -14.9342 4.26601 -15.0991 TIMING: 3711200 CPU: 11040, 0.0029335/step Wall: 11040, 0.0029335/step, 1.05019 hours remaining, 206.742188 MB of memory in use. ENERGY: 3711200 742.8016 2126.2449 1929.3957 106.5244 -206519.7978 18067.3553 0.0000 0.0000 34229.4683 -149318.0075 298.9345 -183547.4758 -149223.3930 298.8638 105.1462 136.2466 555794.3851 6.1461 6.3033 PRESSURE: 3711400 182.239 11.2265 -74.1913 11.2271 78.7831 86.4796 -74.1922 86.4812 -340.405 GPRESSURE: 3711400 202.581 18.5048 -122.699 67.536 70.9452 19.2693 -82.4022 142.465 -262.193 PRESSAVG: 3711400 -13.7667 52.0403 12.9301 52.0403 0.0478903 32.7646 12.9301 32.7648 29.0495 GPRESSAVG: 3711400 -13.4741 49.6779 12.5913 55.1944 -0.0914888 32.3393 14.1707 34.1337 28.9154 TIMING: 3711400 CPU: 11040.5, 0.00293161/step Wall: 11040.5, 0.00293161/step, 1.04935 hours remaining, 206.742188 MB of memory in use. ENERGY: 3711400 718.7177 2113.5232 1936.5162 105.0050 -206211.9815 17712.3487 0.0000 0.0000 34133.5385 -149492.3321 298.0967 -183625.8707 -149397.8227 298.8973 -26.4609 3.7778 556667.2724 5.1102 5.1166 PRESSURE: 3711600 -36.3009 -63.6865 85.6467 -63.6874 -190.785 -101.674 85.6479 -101.672 -238.477 GPRESSURE: 3711600 -19.3244 -52.516 9.25226 -57.5218 -143.248 -27.5609 202.847 -129.726 -209.784 PRESSAVG: 3711600 -25.9463 53.2106 50.0584 53.2106 -27.678 -26.5375 50.0584 -26.5374 36.7123 GPRESSAVG: 3711600 -26.7919 53.4799 50.1644 50.9427 -27.1683 -24.2285 49.9593 -28.0112 37.0943 TIMING: 3711600 CPU: 11041.1, 0.00291518/step Wall: 11041.1, 0.00291518/step, 1.04331 hours remaining, 206.742188 MB of memory in use. ENERGY: 3711600 757.9802 2075.2949 1940.9442 111.1990 -206115.8627 17655.9132 0.0000 0.0000 34189.9481 -149384.5830 298.5893 -183574.5312 -149286.0751 298.4840 -155.1876 -124.1190 556907.2345 -5.6373 -5.6220 PRESSURE: 3711800 -33.1388 191.247 -13.3617 191.247 114.857 14.3144 -13.3614 14.3136 -27.8346 GPRESSURE: 3711800 -30.1192 265.892 -28.7911 158.474 131.03 60.4653 77.5548 -7.60337 45.8081 PRESSAVG: 3711800 40.2686 31.1305 30.9 31.1304 -93.1439 -34.5171 30.9001 -34.5171 5.53641 GPRESSAVG: 3711800 41.2245 33.6465 31.3662 31.5389 -94.5016 -34.3305 29.7735 -35.641 6.35288 TIMING: 3711800 CPU: 11041.7, 0.00294488/step Wall: 11041.7, 0.00294488/step, 1.05377 hours remaining, 206.742188 MB of memory in use. ENERGY: 3711800 773.0025 2165.0386 1949.5561 128.2481 -206423.4722 17849.7766 0.0000 0.0000 34126.6611 -149431.1891 298.0366 -183557.8502 -149331.5667 298.6722 17.9613 48.9063 555918.4255 -15.7796 -15.6414 PRESSURE: 3712000 351.825 -52.7259 38.927 -52.7256 64.3432 -12.525 38.9279 -12.5246 152.969 GPRESSURE: 3712000 276.566 -80.5863 -19.5153 -18.6344 178.732 15.3421 40.8544 -26.1449 219.06 PRESSAVG: 3712000 -2.6721 15.7455 38.6306 15.7455 -14.9298 -12.8189 38.6306 -12.8188 9.40244 GPRESSAVG: 3712000 -1.69995 14.2888 39.7779 15.4504 -14.4148 -13.5235 38.7583 -11.459 8.5689 TIMING: 3712000 CPU: 11042.3, 0.00293148/step Wall: 11042.3, 0.00293148/step, 1.04882 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3712000 707.8903 2110.7013 1970.8930 119.7289 -206282.0100 17896.1382 0.0000 0.0000 34286.1892 -149190.4690 299.4298 -183476.6582 -149094.8168 298.8096 189.7123 224.7860 555799.0594 -2.7331 -2.5153 PRESSURE: 3712200 234.459 -95.8068 147.176 -95.806 -102.069 -37.5264 147.174 -37.5265 -80.6468 GPRESSURE: 3712200 316.134 -101.094 56.776 -17.1411 -101.866 -3.70144 138.978 -11.8134 -71.3482 PRESSAVG: 3712200 96.2905 1.14864 28.4205 1.14856 10.1936 9.4593 28.4205 9.45923 -57.6312 GPRESSAVG: 3712200 94.8823 0.196893 25.9981 2.16621 11.2142 9.97832 30.9746 7.08471 -57.6715 TIMING: 3712200 CPU: 11042.9, 0.00292429/step Wall: 11042.9, 0.00292429/step, 1.04608 hours remaining, 206.742188 MB of memory in use. ENERGY: 3712200 737.6454 2130.2203 1958.5655 118.9985 -206431.7501 17782.3693 0.0000 0.0000 34539.5128 -149164.4383 301.6422 -183703.9510 -149070.1717 300.2469 17.2477 47.6397 556732.2327 16.2843 16.1417 LDB: ============= START OF LOAD BALANCING ============== 11046.4 LDB: ============== END OF LOAD BALANCING =============== 11046.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11046.4 LDB: ============= START OF LOAD BALANCING ============== 11046.7 LDB: Largest compute 4802 load 0.024747 is 20.9% of average load 0.118290 LDB: Average compute 0.001732 is 1.5% of average load 0.118290 LDB: TIME 11046.7 LOAD: AVG 0.11829 MAX 0.196894 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.766 MB LDB: TIME 11046.7 LOAD: AVG 0.11829 MAX 0.196894 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.766 MB LDB: TIME 11046.7 LOAD: AVG 0.11829 MAX 0.196894 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.766 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11046.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11046.7 PRESSURE: 3712400 -110.036 -9.50982 -42.6753 -9.50962 173.174 47.6112 -42.6745 47.611 -24.7168 GPRESSURE: 3712400 -66.7845 -1.24586 3.00168 2.9778 181.274 60.7564 -43.7511 -14.5796 16.9665 PRESSAVG: 3712400 -33.509 -2.3634 -2.66079 -2.36336 23.795 -0.0833335 -2.66084 -0.0834562 -28.3691 GPRESSAVG: 3712400 -33.664 -2.37846 -1.16813 -4.04476 23.7382 -0.413439 -4.45841 3.24347 -28.9194 TIMING: 3712400 CPU: 11043.5, 0.00300051/step Wall: 11043.5, 0.00300051/step, 1.07318 hours remaining, 206.542969 MB of memory in use. ENERGY: 3712400 766.9339 2091.7922 1918.5625 107.4555 -206198.2962 17871.4768 0.0000 0.0000 34242.1669 -149199.9085 299.0454 -183442.0753 -149103.5088 299.0646 12.8069 43.8187 557958.1538 -12.6943 -12.9484 PRESSURE: 3712600 133.547 173.631 66.6657 173.632 145.07 -97.3002 66.665 -97.2989 -92.3936 GPRESSURE: 3712600 221.284 153.654 19.7699 217.99 148.651 -89.7371 70.6987 -46.3731 -77.7131 PRESSAVG: 3712600 23.8195 30.0289 -37.5814 30.029 -21.6674 36.2052 -37.5814 36.2051 1.12053 GPRESSAVG: 3712600 24.005 30.5446 -38.2269 31.9523 -21.3437 36.2867 -38.0484 34.9576 0.550855 TIMING: 3712600 CPU: 11044.1, 0.00292323/step Wall: 11044.1, 0.00292323/step, 1.04538 hours remaining, 206.542969 MB of memory in use. ENERGY: 3712600 774.5838 2108.2738 1935.5709 125.6353 -206436.1651 18025.9836 0.0000 0.0000 34330.3761 -149135.7417 299.8157 -183466.1178 -149039.7996 300.0715 62.0745 97.4073 557885.7153 1.0908 1.0707 PRESSURE: 3712800 117.662 12.7291 46.1922 12.7289 96.6135 101.341 46.1927 101.342 -50.6127 GPRESSURE: 3712800 153.747 54.1447 -75.1254 -37.0595 138.011 25.6773 121.328 202.309 -34.8775 PRESSAVG: 3712800 13.2187 -2.47352 -27.3453 -2.47354 51.9016 12.3773 -27.3453 12.3774 -37.847 GPRESSAVG: 3712800 12.6372 -1.3656 -28.5257 -4.53051 51.5509 12.2275 -26.0795 15.6399 -37.7013 TIMING: 3712800 CPU: 11044.7, 0.00289992/step Wall: 11044.7, 0.00289992/step, 1.03688 hours remaining, 206.542969 MB of memory in use. ENERGY: 3712800 732.9594 2135.2134 1961.6545 120.1152 -206316.2238 18004.9491 0.0000 0.0000 34276.7030 -149084.6292 299.3470 -183361.3322 -148985.5888 299.9142 54.5543 85.6266 557434.6465 9.0911 8.8289 PRESSURE: 3713000 75.6833 -20.9642 46.1385 -20.9635 5.33631 -73.6161 46.1388 -73.6165 110.342 GPRESSURE: 3713000 111.504 -44.6208 134.669 21.6207 37.2993 -71.0414 -59.7112 -75.3607 133.866 PRESSAVG: 3713000 40.5251 -49.6777 -16.1681 -49.6777 -19.6981 21.8448 -16.168 21.8449 -23.5274 GPRESSAVG: 3713000 40.0009 -49.302 -15.4505 -47.7803 -20.1089 22.3772 -17.3258 18.2656 -22.9327 TIMING: 3713000 CPU: 11045.2, 0.00292044/step Wall: 11045.2, 0.00292044/step, 1.04406 hours remaining, 206.542969 MB of memory in use. ENERGY: 3713000 754.8593 2191.1597 1964.8100 114.9945 -206215.5263 17992.9035 0.0000 0.0000 34272.6062 -148924.1930 299.3112 -183196.7992 -148826.1097 299.8093 63.7871 94.2230 558683.9611 -0.9001 -1.0136 PRESSURE: 3713200 89.1394 1.69653 94.3415 1.69538 -36.5996 -27.7784 94.342 -27.7761 118.608 GPRESSURE: 3713200 70.8471 -15.4388 96.8274 11.219 50.2692 -77.771 133.779 51.6066 138.637 PRESSAVG: 3713200 0.858185 -0.649012 -27.9987 -0.649048 -28.2826 -22.1922 -27.9988 -22.1922 37.8951 GPRESSAVG: 3713200 1.10558 -1.05188 -25.7017 -2.61979 -27.6429 -23.7119 -27.7165 -19.9161 38.0642 TIMING: 3713200 CPU: 11045.8, 0.00290836/step Wall: 11045.8, 0.00290836/step, 1.03958 hours remaining, 206.542969 MB of memory in use. ENERGY: 3713200 781.3638 2130.1262 1928.6591 123.6983 -206151.8366 17855.5649 0.0000 0.0000 34129.5454 -149202.8789 298.0618 -183332.4243 -149107.8900 300.1640 57.0491 86.5845 557451.2006 3.4902 3.8423 PRESSURE: 3713400 39.7292 72.4023 -122.534 72.4021 43.5596 128.343 -122.534 128.344 -270.887 GPRESSURE: 3713400 89.9453 114.411 -39.858 -23.3666 78.5447 140.038 -189.888 50.9132 -249.956 PRESSAVG: 3713400 -31.7893 18.9035 11.7472 18.9035 -62.3532 17.3337 11.7472 17.3337 57.7637 GPRESSAVG: 3713400 -30.9042 17.9383 11.1426 19.6877 -63.0538 18.5734 10.4997 17.1651 57.4645 TIMING: 3713400 CPU: 11046.4, 0.00291988/step Wall: 11046.4, 0.00291988/step, 1.04353 hours remaining, 206.542969 MB of memory in use. ENERGY: 3713400 779.1431 2106.0975 1948.1673 100.3731 -206165.7788 17818.3161 0.0000 0.0000 34333.3599 -149080.3219 299.8418 -183413.6818 -148987.1740 299.6791 -62.5327 -27.1552 557613.4005 -12.1263 -12.1645 PRESSURE: 3713600 -25.9788 78.5685 79.058 78.5681 9.71099 39.1556 79.0576 39.1568 -232.803 GPRESSURE: 3713600 5.00745 60.4659 104.224 97.1691 27.228 39.9498 65.4544 9.13887 -190.453 PRESSAVG: 3713600 12.7497 0.858915 17.9945 0.858884 -70.561 22.645 17.9946 22.6451 18.6499 GPRESSAVG: 3713600 11.9169 2.21617 16.9329 0.558648 -69.0583 23.4058 17.7268 20.1836 18.3423 TIMING: 3713600 CPU: 11047, 0.00292619/step Wall: 11047, 0.00292619/step, 1.04563 hours remaining, 206.582031 MB of memory in use. ENERGY: 3713600 774.9011 2186.5612 1938.2379 109.9603 -206114.5242 17699.3005 0.0000 0.0000 34415.7654 -148989.7977 300.5614 -183405.5631 -148896.8351 300.0366 -83.0236 -52.7392 558770.5302 -13.0538 -12.9331 PRESSURE: 3713800 236.265 88.5554 -178.196 88.5544 172.465 -78.0476 -178.196 -78.0467 -117.312 GPRESSURE: 3713800 256.696 186.231 -188.249 45.2792 250.197 -133.624 -116.254 -19.3448 -112.16 PRESSAVG: 3713800 36.1931 -19.3235 -32.986 -19.3235 -37.2702 -10.2392 -32.9859 -10.2392 -20.0921 GPRESSAVG: 3713800 35.9726 -19.7814 -32.5921 -20.5906 -38.3432 -10.1317 -30.7249 -9.30754 -19.1334 TIMING: 3713800 CPU: 11047.6, 0.00292268/step Wall: 11047.6, 0.00292268/step, 1.04421 hours remaining, 206.582031 MB of memory in use. ENERGY: 3713800 778.8059 2107.9715 1923.1794 121.5994 -206135.1551 17948.3824 0.0000 0.0000 34261.7085 -148993.5079 299.2160 -183255.2165 -148903.2642 299.4466 97.1393 131.5775 559601.9823 -7.0564 -7.1680 PRESSURE: 3714000 -195.111 -23.8802 23.3182 -23.8797 -34.3853 29.5355 23.318 29.5372 -78.5816 GPRESSURE: 3714000 -145.347 -3.93632 35.5395 8.69053 17.6946 27.1274 -5.46099 -26.4066 -64.3816 PRESSAVG: 3714000 4.73583 -42.6174 12.5711 -42.6174 47.2106 -18.314 12.5711 -18.3139 -27.604 GPRESSAVG: 3714000 5.80813 -43.1022 12.3513 -42.0579 46.1455 -20.7268 10.5323 -17.4005 -27.9274 TIMING: 3714000 CPU: 11048.2, 0.00292945/step Wall: 11048.2, 0.00292945/step, 1.04646 hours remaining, 206.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3714000 749.0707 2172.7981 1970.1706 99.5528 -205718.1133 17630.3897 0.0000 0.0000 34169.9158 -148926.2156 298.4144 -183096.1314 -148824.7361 299.6912 -102.6925 -64.0113 558538.9735 8.1142 8.0087 PRESSURE: 3714200 -49.9638 -19.264 -21.686 -19.2628 -83.9952 15.577 -21.6852 15.5782 150.368 GPRESSURE: 3714200 -38.9707 -90.9333 -16.7399 31.3879 -2.41154 -74.7355 -47.6799 79.8426 153.64 PRESSAVG: 3714200 -42.5801 -35.1493 -10.6962 -35.1493 65.1551 36.2404 -10.6962 36.2405 8.99328 GPRESSAVG: 3714200 -42.5663 -34.8018 -10.0607 -35.8041 64.6924 38.6614 -9.81038 35.6324 9.55207 TIMING: 3714200 CPU: 11048.8, 0.00297105/step Wall: 11048.8, 0.00297105/step, 1.06116 hours remaining, 206.582031 MB of memory in use. ENERGY: 3714200 754.0123 2116.2964 1915.2980 112.2257 -206130.7442 17930.4033 0.0000 0.0000 34377.7086 -148924.7998 300.2291 -183302.5084 -148830.0692 300.8993 5.4698 37.4193 558032.1834 10.5228 10.5594 PRESSURE: 3714400 132.11 -195.235 -148.26 -195.235 -75.5171 -25.8698 -148.261 -25.87 -232.153 GPRESSURE: 3714400 143.036 -85.2528 -158.153 -247.91 -48.0588 -147.463 -128.316 134.989 -165.485 PRESSAVG: 3714400 -19.0716 -29.3981 7.71021 -29.3981 -12.2191 -29.5682 7.71023 -29.5683 34.2075 GPRESSAVG: 3714400 -19.8135 -28.9189 9.1977 -27.1306 -10.634 -30.8119 7.85417 -28.3233 33.6566 TIMING: 3714400 CPU: 11049.3, 0.00297144/step Wall: 11049.3, 0.00297144/step, 1.06113 hours remaining, 206.582031 MB of memory in use. ENERGY: 3714400 797.7894 2130.4882 1957.1078 117.2790 -206147.9440 17786.0759 0.0000 0.0000 34255.0715 -149104.1321 299.1581 -183359.2036 -149004.0004 300.3966 -58.5200 -23.5028 557905.7138 0.9723 1.0697 PRESSURE: 3714600 -105.47 98.3778 -18.8095 98.3792 48.1104 -106.059 -18.8101 -106.06 141.592 GPRESSURE: 3714600 -37.9872 68.9345 27.8099 33.482 25.7846 -112.295 23.1401 -106.013 201.838 PRESSAVG: 3714600 -18.5507 -43.5819 -16.403 -43.582 26.2113 -12.725 -16.4031 -12.7249 62.962 GPRESSAVG: 3714600 -18.6039 -42.9162 -18.3725 -45.8529 26.3286 -12.1825 -16.1014 -12.9834 63.0432 TIMING: 3714600 CPU: 11049.9, 0.00297113/step Wall: 11049.9, 0.00297113/step, 1.06086 hours remaining, 206.582031 MB of memory in use. ENERGY: 3714600 739.3641 2130.4595 1922.5276 129.9768 -206203.5274 17947.0650 0.0000 0.0000 34314.2185 -149019.9158 299.6746 -183334.1344 -148922.2587 299.7593 28.0773 63.2118 557267.3548 23.5409 23.5893 PRESSURE: 3714800 50.2679 -149.161 127.225 -149.162 119.226 -90.9674 127.225 -90.9673 232.611 GPRESSURE: 3714800 90.7326 -115.619 84.7817 -200.079 235.652 -32.6286 133.227 -110.151 170.805 PRESSAVG: 3714800 -34.4511 -21.8932 23.8924 -21.8933 -73.0353 -16.7976 23.8924 -16.7976 66.0822 GPRESSAVG: 3714800 -34.7456 -21.6616 25.0914 -21.1641 -72.8187 -18.4634 22.8257 -13.4428 65.8568 TIMING: 3714800 CPU: 11050.5, 0.00293841/step Wall: 11050.5, 0.00293841/step, 1.04901 hours remaining, 206.582031 MB of memory in use. ENERGY: 3714800 738.8423 2076.1083 1959.6970 108.2251 -206733.0393 18235.0574 0.0000 0.0000 34423.8290 -149191.2802 300.6319 -183615.1092 -149101.2888 299.3793 134.0349 165.7299 556237.1588 -13.8014 -13.9025 PRESSURE: 3715000 25.8196 34.7113 -61.053 34.711 73.5618 -33.5453 -61.0522 -33.5468 84.7278 GPRESSURE: 3715000 0.931642 66.604 -66.7176 55.7532 138.068 -1.22061 -14.1013 -102.688 139.045 PRESSAVG: 3715000 19.3612 -35.5644 6.01573 -35.5644 -66.1932 -34.1549 6.01569 -34.1549 38.388 GPRESSAVG: 3715000 19.4479 -34.9914 5.61473 -35.3851 -67.7195 -33.5192 7.36197 -36.2823 39.628 TIMING: 3715000 CPU: 11051.1, 0.00294946/step Wall: 11051.1, 0.00294946/step, 1.05279 hours remaining, 206.582031 MB of memory in use. ENERGY: 3715000 761.0603 2082.9685 1927.8605 105.8705 -205986.5715 17706.2612 0.0000 0.0000 34400.2331 -149002.3174 300.4258 -183402.5505 -148905.8502 299.3472 61.3697 92.6814 557420.8786 -2.8147 -2.8812 PRESSURE: 3715200 -56.4007 3.02352 -1.65452 3.02406 -273.376 -36.1214 -1.65479 -36.1245 -14.7504 GPRESSURE: 3715200 -7.14492 -31.0975 30.5749 40.8071 -178.025 4.54162 59.3442 -65.9506 -58.013 PRESSAVG: 3715200 -64.9722 8.20032 -9.9888 8.20032 33.9552 -14.4904 -9.98876 -14.4906 52.2805 GPRESSAVG: 3715200 -64.1621 6.13856 -8.33165 7.94925 34.1361 -14.9581 -10.5165 -16.1897 51.5004 TIMING: 3715200 CPU: 11051.7, 0.00297737/step Wall: 11051.7, 0.00297737/step, 1.06259 hours remaining, 206.582031 MB of memory in use. ENERGY: 3715200 780.0679 2105.1361 1931.5374 111.5598 -205970.1118 17899.5538 0.0000 0.0000 34073.9255 -149068.3314 297.5761 -183142.2568 -148975.7674 299.7378 -114.8423 -81.0610 558596.4322 7.0878 7.1582 PRESSURE: 3715400 -13.3081 -174.996 71.2743 -174.998 -199.22 101.055 71.2737 101.057 -25.05 GPRESSURE: 3715400 0.182033 -215.327 41.8334 -121.553 -170.587 136.765 54.5866 89.8451 13.6304 PRESSAVG: 3715400 -67.9302 -63.6135 31.8298 -63.6135 16.3536 -21.5891 31.8298 -21.5889 9.16327 GPRESSAVG: 3715400 -70.0823 -62.3641 30.4518 -62.0938 17.0379 -20.7906 31.3869 -20.7714 10.6646 TIMING: 3715400 CPU: 11052.3, 0.00295705/step Wall: 11052.3, 0.00295706/step, 1.05518 hours remaining, 206.582031 MB of memory in use. ENERGY: 3715400 733.7376 2111.4222 1973.7106 112.6880 -206051.1105 17701.5621 0.0000 0.0000 34229.1797 -149188.8103 298.9319 -183417.9900 -149084.6645 298.8363 -79.1926 -52.2581 558434.5675 -14.1378 -14.1266 PRESSURE: 3715600 -110.045 74.1327 16.3137 74.132 44.2915 -38.3967 16.3127 -38.3974 7.79087 GPRESSURE: 3715600 -66.143 158.883 83.8923 126.816 51.4186 -41.2463 98.126 42.6062 47.0575 PRESSAVG: 3715600 38.9449 -12.6484 53.6816 -12.6484 -70.4173 2.62554 53.6816 2.62546 20.9959 GPRESSAVG: 3715600 40.146 -13.4531 55.4893 -12.6296 -70.3667 3.8421 53.3167 2.17636 19.5806 TIMING: 3715600 CPU: 11052.9, 0.0029215/step Wall: 11052.9, 0.0029215/step, 1.04233 hours remaining, 206.582031 MB of memory in use. ENERGY: 3715600 781.3961 2104.3416 1948.1569 129.9424 -206334.9522 17962.6390 0.0000 0.0000 34174.1661 -149234.3100 298.4515 -183408.4761 -149136.7823 298.9259 -19.3208 10.7777 557576.9616 -3.4922 -3.5467 PRESSURE: 3715800 -5.93969 65.0363 -132.564 65.0346 -240.221 -57.8428 -132.564 -57.8442 -8.5981 GPRESSURE: 3715800 21.6124 48.2044 -177.567 57.3667 -175.475 -46.5311 -132.777 -56.005 1.04978 PRESSAVG: 3715800 47.9266 -6.83053 -0.621431 -6.83051 -56.6619 43.1752 -0.621406 43.1752 -14.8898 GPRESSAVG: 3715800 47.5228 -6.26673 -0.578426 -10.5058 -57.1024 41.413 0.268762 41.858 -13.7398 TIMING: 3715800 CPU: 11053.5, 0.00292256/step Wall: 11053.5, 0.00292256/step, 1.04254 hours remaining, 206.582031 MB of memory in use. ENERGY: 3715800 748.2283 2071.9839 1942.8102 115.8853 -206384.1597 17993.4169 0.0000 0.0000 34315.0691 -149196.7661 299.6820 -183511.8351 -149110.1935 298.6818 -84.9195 -50.9378 559627.1653 -7.8750 -7.7732 PRESSURE: 3716000 112.45 -75.068 -69.9452 -75.067 -37.8939 41.0493 -69.9444 41.0511 -157.642 GPRESSURE: 3716000 125.88 -100.911 -52.1677 -62.124 -11.5405 46.8968 -104.47 90.7558 -116.786 PRESSAVG: 3716000 51.0946 -29.3571 2.83545 -29.357 -34.2642 43.4599 2.83544 43.4598 18.2144 GPRESSAVG: 3716000 50.9607 -29.7658 2.66226 -29.1357 -33.6364 44.2365 0.867775 44.8903 17.2822 TIMING: 3716000 CPU: 11054.1, 0.00294108/step Wall: 11054.1, 0.00294108/step, 1.04898 hours remaining, 206.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3716000 743.3529 2106.7339 1961.2763 126.0553 -206154.0411 17792.2667 0.0000 0.0000 34186.3693 -149237.9867 298.5581 -183424.3560 -149136.8613 299.6417 -27.6953 -0.8156 557724.2712 11.6816 11.5355 PRESSURE: 3716200 -119.597 -145.188 -11.8002 -145.189 -203.316 -19.5545 -11.8003 -19.5559 -251.426 GPRESSURE: 3716200 -89.081 -98.6455 -45.3215 -184.407 -137.527 -13.7153 59.0255 -7.98087 -242.651 PRESSAVG: 3716200 -49.8887 -50.4309 14.4566 -50.4308 -7.63153 -44.6898 14.4566 -44.6898 -17.2338 GPRESSAVG: 3716200 -49.3415 -50.1363 14.1955 -49.1705 -7.59103 -44.6058 15.0299 -45.7404 -17.5674 TIMING: 3716200 CPU: 11054.6, 0.00293205/step Wall: 11054.6, 0.00293205/step, 1.0456 hours remaining, 206.582031 MB of memory in use. ENERGY: 3716200 765.2402 2100.1705 1946.5504 121.4553 -206094.5159 17712.7212 0.0000 0.0000 34349.1559 -149099.2224 299.9797 -183448.3783 -149000.5464 299.2334 -191.4465 -156.4196 558794.2313 -24.9180 -24.8333 LDB: ============= START OF LOAD BALANCING ============== 11058.2 LDB: ============== END OF LOAD BALANCING =============== 11058.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11058.2 LDB: ============= START OF LOAD BALANCING ============== 11058.5 LDB: Largest compute 4802 load 0.025203 is 21.3% of average load 0.118194 LDB: Average compute 0.001731 is 1.5% of average load 0.118194 LDB: TIME 11058.5 LOAD: AVG 0.118194 MAX 0.197414 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.316 MB LDB: TIME 11058.5 LOAD: AVG 0.118194 MAX 0.197414 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.316 MB LDB: TIME 11058.5 LOAD: AVG 0.118194 MAX 0.197414 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.316 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11058.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11058.5 PRESSURE: 3716400 94.0998 78.0097 -97.8536 78.0104 -42.2861 -58.3789 -97.8558 -58.3793 224.496 GPRESSURE: 3716400 110.092 -20.8788 -113.522 101.328 21.2332 -9.02745 -26.6744 -29.0161 238.683 PRESSAVG: 3716400 50.5751 48.2677 8.55558 48.2678 -7.45446 -32.2039 8.55558 -32.2039 -48.3352 GPRESSAVG: 3716400 50.5749 47.6659 8.78691 48.2509 -8.26299 -30.383 8.10808 -32.6658 -47.5717 TIMING: 3716400 CPU: 11055.2, 0.003009/step Wall: 11055.2, 0.003009/step, 1.07288 hours remaining, 207.890625 MB of memory in use. ENERGY: 3716400 758.8401 2085.0495 1926.0911 113.6332 -206314.8724 17985.3585 0.0000 0.0000 34268.5636 -149177.3364 299.2759 -183445.8999 -149083.3161 299.3904 92.1034 123.3359 557054.5732 -1.7382 -1.7533 PRESSURE: 3716600 355.282 17.1735 -32.8932 17.1736 25.7625 -19.9923 -32.8946 -19.9933 183.652 GPRESSURE: 3716600 377.041 41.3389 72.7375 -80.5062 78.1259 -43.6545 -64.4406 -23.396 196.99 PRESSAVG: 3716600 20.4812 -13.1735 40.7605 -13.1734 -6.35356 26.5888 40.7605 26.5889 2.45676 GPRESSAVG: 3716600 19.3046 -12.146 41.7575 -12.8784 -5.39599 25.188 42.1023 27.9562 2.73529 TIMING: 3716600 CPU: 11055.8, 0.00292554/step Wall: 11055.8, 0.00292554/step, 1.04295 hours remaining, 208.093750 MB of memory in use. ENERGY: 3716600 737.9177 2049.5784 1936.5096 119.7842 -206338.9798 18018.7504 0.0000 0.0000 34451.5939 -149024.8455 300.8743 -183476.4394 -148926.0340 299.9190 188.2323 217.3856 556950.8720 5.5281 5.5480 PRESSURE: 3716800 -74.8744 -29.0547 12.5133 -29.0537 110.459 56.904 12.5127 56.9056 210.233 GPRESSURE: 3716800 -26.6127 -26.276 -7.18823 -68.508 136.254 65.2144 -69.7377 78.0435 229.208 PRESSAVG: 3716800 -0.788225 -2.06297 28.525 -2.06295 -13.4739 35.5312 28.525 35.5312 39.5424 GPRESSAVG: 3716800 0.464479 -1.97494 27.4866 -0.744248 -13.5203 34.5869 28.0656 36.5418 38.3335 TIMING: 3716800 CPU: 11056.4, 0.00295836/step Wall: 11056.4, 0.00295836/step, 1.05449 hours remaining, 208.093750 MB of memory in use. ENERGY: 3716800 721.7311 2068.6902 1944.3868 112.9026 -205928.4267 17676.3199 0.0000 0.0000 34405.0722 -148999.3238 300.4681 -183404.3960 -148900.7771 299.9163 81.9393 112.9496 558326.9414 8.4267 8.4259 PRESSURE: 3717000 -63.3452 -181.378 -33.559 -181.377 138.517 -242.658 -33.5594 -242.657 39.4622 GPRESSURE: 3717000 -27.7093 -164.137 -7.3433 -125.265 183.004 -244.097 -41.3758 -276.218 54.5909 PRESSAVG: 3717000 -19.4629 -7.49674 -25.0353 -7.49673 -6.66664 16.818 -25.0352 16.8178 13.3663 GPRESSAVG: 3717000 -19.2082 -9.20505 -24.7609 -9.58705 -6.41491 16.4212 -24.3905 16.7671 12.7796 TIMING: 3717000 CPU: 11057, 0.00295821/step Wall: 11057, 0.00295821/step, 1.05427 hours remaining, 208.093750 MB of memory in use. ENERGY: 3717000 729.6269 2127.3568 1949.5749 106.4925 -206016.9061 17770.3114 0.0000 0.0000 34473.7155 -148859.8280 301.0675 -183333.5435 -148766.7698 300.0119 38.2113 69.9619 557717.4160 -4.2544 -4.2812 PRESSURE: 3717200 -42.0506 -30.1311 68.8632 -30.1319 -62.9285 -29.1961 68.8633 -29.1962 -45.3745 GPRESSURE: 3717200 -13.8376 -30.1058 39.4113 -48.5153 9.18133 29.222 34.787 -68.1048 -48.0666 PRESSAVG: 3717200 -25.2459 -14.2196 13.2994 -14.2197 -49.6355 9.48529 13.2995 9.4854 48.1767 GPRESSAVG: 3717200 -25.6069 -10.8706 14.5665 -15.0303 -50.5484 9.12779 12.614 7.88465 48.9531 TIMING: 3717200 CPU: 11057.6, 0.00295257/step Wall: 11057.6, 0.00295257/step, 1.0521 hours remaining, 208.093750 MB of memory in use. ENERGY: 3717200 760.9148 2024.0668 1939.6812 109.4188 -205659.6807 17792.0859 0.0000 0.0000 34250.9273 -148782.5859 299.1219 -183033.5133 -148690.8979 299.8996 -50.1179 -17.5743 558408.6042 -8.9016 -9.0674 PRESSURE: 3717400 -131.532 81.512 -27.769 81.513 -317.377 133.642 -27.7687 133.642 -0.529821 GPRESSURE: 3717400 -126.86 34.0304 -37.7256 89.785 -252.388 188.511 -21.581 184.341 30.0893 PRESSAVG: 3717400 -72.3256 -18.6854 2.84517 -18.6854 13.5434 5.70151 2.84508 5.70154 74.6077 GPRESSAVG: 3717400 -72.0855 -19.7962 2.42919 -17.26 14.3041 8.25976 3.21059 5.26028 73.4764 TIMING: 3717400 CPU: 11058.2, 0.00291058/step Wall: 11058.2, 0.00291058/step, 1.03697 hours remaining, 208.093750 MB of memory in use. ENERGY: 3717400 761.1121 2147.0215 1931.9051 119.8346 -205770.5904 17665.6692 0.0000 0.0000 34281.9489 -148863.0991 299.3928 -183145.0479 -148766.7016 300.4022 -149.8131 -116.3861 558083.1729 5.2751 5.2317 PRESSURE: 3717600 66.9723 -191.678 -52.5595 -191.679 -104.575 111.278 -52.5584 111.275 -238.866 GPRESSURE: 3717600 57.493 -207.036 -63.7844 -181.257 -87.5086 79.1886 -28.9712 179.541 -164.736 PRESSAVG: 3717600 21.2032 -10.5708 4.32021 -10.5708 -27.0863 29.1243 4.32018 29.1243 28.3214 GPRESSAVG: 3717600 20.9977 -11.0014 3.30783 -10.8938 -28.0372 27.3127 4.34174 29.891 30.1423 TIMING: 3717600 CPU: 11058.8, 0.00293909/step Wall: 11058.8, 0.00293909/step, 1.04697 hours remaining, 208.093750 MB of memory in use. ENERGY: 3717600 751.9468 2159.6615 1920.0151 106.7193 -205706.1164 17665.4882 0.0000 0.0000 34239.1438 -148863.1416 299.0190 -183102.2854 -148771.7076 300.0305 -92.1563 -64.9173 559310.4417 7.4794 7.7009 PRESSURE: 3717800 169.727 -94.7308 -186.125 -94.7319 155.125 -55.3943 -186.124 -55.3934 -93.4192 GPRESSURE: 3717800 223.81 -180.533 -119.161 -81.6949 152.11 -1.77249 -285.937 -28.5168 -60.4535 PRESSAVG: 3717800 45.9252 -44.4534 -49.7397 -44.4534 4.5256 37.1366 -49.7396 37.1366 -44.9164 GPRESSAVG: 3717800 46.4935 -46.434 -50.9081 -42.439 5.24157 39.2364 -49.0129 36.9143 -46.683 TIMING: 3717800 CPU: 11059.4, 0.00295344/step Wall: 11059.4, 0.00295344/step, 1.05192 hours remaining, 208.093750 MB of memory in use. ENERGY: 3717800 741.3385 2048.4881 1955.9298 122.9238 -206057.5543 17883.1549 0.0000 0.0000 34226.2771 -149079.4421 298.9066 -183305.7192 -148982.9154 299.5044 77.1443 105.1556 557535.1981 1.8448 1.6840 PRESSURE: 3718000 48.4153 -30.7412 -14.7901 -30.7421 146.977 41.4546 -14.79 41.4557 -332.248 GPRESSURE: 3718000 57.5152 -22.8123 72.1863 -34.3143 164.759 21.3575 2.5621 -45.6586 -271.027 PRESSAVG: 3718000 0.125486 -21.3921 53.3301 -21.3921 18.5059 44.7325 53.33 44.7325 -36.3863 GPRESSAVG: 3718000 0.839242 -18.8383 52.5975 -23.6326 18.0154 43.0745 55.0302 44.8158 -36.6563 TIMING: 3718000 CPU: 11060, 0.00293843/step Wall: 11060, 0.00293843/step, 1.04641 hours remaining, 208.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3718000 714.0144 2044.9423 1923.5554 117.3614 -205836.5691 17564.6290 0.0000 0.0000 34187.8248 -149284.2417 298.5708 -183472.0665 -149187.8137 298.7341 -45.6188 -16.2509 557241.3419 -5.9183 -5.9339 PRESSURE: 3718200 -415.39 95.7224 75.734 95.7236 -108.961 6.4477 75.7348 6.44603 -219.392 GPRESSURE: 3718200 -395.859 80.0276 193.057 37.532 -90.3151 20.8038 -5.55771 -51.1679 -155.195 PRESSAVG: 3718200 -9.51052 8.15705 -14.2804 8.15702 32.2906 -3.33841 -14.2803 -3.33848 -56.3114 GPRESSAVG: 3718200 -11.2075 8.21358 -12.1501 8.27707 32.3865 -4.49536 -15.9062 -3.99955 -55.0793 TIMING: 3718200 CPU: 11060.5, 0.00292511/step Wall: 11060.5, 0.00292511/step, 1.0415 hours remaining, 208.093750 MB of memory in use. ENERGY: 3718200 705.3396 2112.7957 1939.5019 105.6188 -205649.8819 17304.1314 0.0000 0.0000 34239.4164 -149243.0781 299.0213 -183482.4945 -149146.1117 298.8147 -247.9144 -213.7897 558106.7201 -11.1771 -11.3001 PRESSURE: 3718400 -100.785 56.0286 20.3873 56.028 -406.04 94.5121 20.3878 94.513 -216.695 GPRESSURE: 3718400 -107.102 124.453 57.8707 -9.29441 -298.422 116.856 10.0846 59.8948 -219.714 PRESSAVG: 3718400 9.9831 18.5628 -13.865 18.5628 -29.2096 26.5898 -13.8649 26.5897 16.6775 GPRESSAVG: 3718400 10.173 18.0491 -13.1911 18.6217 -28.6256 26.694 -15.1278 28.0596 15.8258 TIMING: 3718400 CPU: 11061.1, 0.00291819/step Wall: 11061.1, 0.00291819/step, 1.03888 hours remaining, 208.093750 MB of memory in use. ENERGY: 3718400 768.4746 2057.4796 1936.9415 108.4248 -205767.5045 17576.1190 0.0000 0.0000 34009.3353 -149310.7298 297.0120 -183320.0651 -149216.8773 298.7467 -241.1733 -208.4127 558289.7079 -0.8497 -0.8756 PRESSURE: 3718600 122.977 83.1932 -86.4251 83.1923 119.494 30.0898 -86.4257 30.0904 -182.275 GPRESSURE: 3718600 151.698 99.7052 -122.832 102.888 161.942 29.1838 -87.1999 -5.23483 -153.144 PRESSAVG: 3718600 -31.498 -24.7654 -69.092 -24.7654 -10.9923 42.3486 -69.0919 42.3486 42.5924 GPRESSAVG: 3718600 -31.4352 -25.0491 -71.1736 -23.5146 -12.0868 43.7768 -68.1062 42.3195 43.4054 TIMING: 3718600 CPU: 11061.7, 0.00290695/step Wall: 11061.7, 0.00290695/step, 1.03471 hours remaining, 208.093750 MB of memory in use. ENERGY: 3718600 766.5942 2056.2643 1918.7602 115.7968 -206411.7226 17930.4239 0.0000 0.0000 34215.5762 -149408.3070 298.8131 -183623.8832 -149306.3779 298.8824 20.0651 53.4987 558187.0332 0.0340 -0.0389 PRESSURE: 3718800 -206.93 15.3043 -244.219 15.3048 -8.26171 -71.9381 -244.22 -71.9392 -344.865 GPRESSURE: 3718800 -175.947 47.5907 -201.269 11.0544 -27.2931 -19.0743 -322.349 -54.9254 -261.352 PRESSAVG: 3718800 48.9018 -43.598 -27.3623 -43.598 21.685 48.5942 -27.3624 48.5942 -35.9848 GPRESSAVG: 3718800 49.4554 -43.1217 -26.5418 -43.6168 21.493 48.4389 -27.4908 46.5088 -36.307 TIMING: 3718800 CPU: 11062.3, 0.00294284/step Wall: 11062.3, 0.00294284/step, 1.04732 hours remaining, 208.093750 MB of memory in use. ENERGY: 3718800 785.0161 2029.1402 1932.9406 121.1527 -206063.8957 17586.4002 0.0000 0.0000 34143.2638 -149465.9821 298.1816 -183609.2458 -149371.0102 298.3849 -186.6857 -154.8639 558659.3739 11.5340 11.5471 PRESSURE: 3719000 88.4097 -45.958 56.1149 -45.9572 52.8505 -30.8861 56.1143 -30.8834 -235.772 GPRESSURE: 3719000 90.1306 -30.7869 -3.24363 -128.768 40.7633 -94.7641 217.711 -27.2257 -125.268 PRESSAVG: 3719000 -35.0152 -0.851705 -8.73598 -0.85164 25.046 -18.6545 -8.7361 -18.6545 -12.4257 GPRESSAVG: 3719000 -36.2641 0.531897 -7.75745 -3.03176 25.4656 -18.7327 -7.38148 -15.9907 -11.8147 TIMING: 3719000 CPU: 11062.9, 0.00296602/step Wall: 11062.9, 0.00296602/step, 1.05541 hours remaining, 208.093750 MB of memory in use. ENERGY: 3719000 736.9487 2104.6330 1918.8591 110.1518 -206154.9333 17615.4185 0.0000 0.0000 34215.5670 -149453.3553 298.8131 -183668.9223 -149354.3237 298.1695 -31.5039 1.8753 557091.5655 -7.4650 -7.5377 PRESSURE: 3719200 245.58 -11.0553 29.599 -11.0554 234.191 -143.075 29.5987 -143.075 219.74 GPRESSURE: 3719200 329.26 9.16433 33.2633 115.382 266.599 -163.141 47.5849 -206.116 202.235 PRESSAVG: 3719200 -16.7275 -6.878 -28.6795 -6.87798 -83.8634 -30.8291 -28.6794 -30.8292 47.666 GPRESSAVG: 3719200 -16.7492 -9.02908 -27.9008 -4.5121 -83.8613 -31.1495 -29.9737 -31.866 47.9521 TIMING: 3719200 CPU: 11063.5, 0.00296326/step Wall: 11063.5, 0.00296326/step, 1.05426 hours remaining, 208.093750 MB of memory in use. ENERGY: 3719200 711.2904 2101.2804 1961.0885 115.3257 -206509.4123 18055.8460 0.0000 0.0000 34121.7629 -149442.8185 297.9938 -183564.5814 -149351.1702 299.0786 233.1703 266.0312 555887.6804 -17.6416 -17.5528 PRESSURE: 3719400 51.6825 70.0293 0.955072 70.0283 22.5559 99.98 0.956122 99.9807 83.684 GPRESSURE: 3719400 95.8336 83.7933 -119.495 66.7231 39.8473 197.938 132.436 139.608 130.204 PRESSAVG: 3719400 79.6527 21.6597 -55.6789 21.6595 -17.4822 -66.4952 -55.679 -66.4952 -53.4298 GPRESSAVG: 3719400 80.6355 24.1116 -56.1602 19.3137 -18.36 -66.8202 -54.7947 -64.9745 -53.778 TIMING: 3719400 CPU: 11064.1, 0.00297215/step Wall: 11064.1, 0.00297215/step, 1.05726 hours remaining, 208.093750 MB of memory in use. ENERGY: 3719400 703.4243 2127.1584 1934.7838 113.2850 -206023.1497 17652.6078 0.0000 0.0000 34306.2304 -149185.6600 299.6048 -183491.8904 -149086.2187 298.9711 52.6408 88.6282 557289.4928 2.9136 2.8325 PRESSURE: 3719600 41.9504 -8.61882 69.3632 -8.61854 -279.956 -34.2321 69.3637 -34.2315 -140.589 GPRESSURE: 3719600 80.5623 2.6105 110.295 -25.0596 -175.085 -6.89874 77.6072 -104.358 -196.754 PRESSAVG: 3719600 17.1689 16.5997 -38.6022 16.5997 -82.8237 -14.6361 -38.6022 -14.636 88.2277 GPRESSAVG: 3719600 16.4245 15.887 -37.6322 19.2691 -82.7095 -12.9128 -37.7022 -17.8333 88.9466 TIMING: 3719600 CPU: 11064.7, 0.00299/step Wall: 11064.7, 0.00299/step, 1.06344 hours remaining, 208.093750 MB of memory in use. ENERGY: 3719600 728.4688 2111.5223 1949.0755 112.8642 -206057.2426 17652.2863 0.0000 0.0000 34231.3670 -149271.6584 298.9510 -183503.0254 -149177.3877 298.9755 -126.1981 -97.0922 557129.2583 7.5243 7.5539 PRESSURE: 3719800 -73.1067 -111.632 -2.21232 -111.631 -522.119 -39.5871 -2.21163 -39.59 -205.265 GPRESSURE: 3719800 -2.03709 -76.7317 6.27286 -197.271 -516.418 -25.4526 9.15818 -47.558 -192.161 PRESSAVG: 3719800 39.97 -3.02196 -28.0183 -3.02193 -88.6657 -37.2398 -28.0183 -37.2397 32.2588 GPRESSAVG: 3719800 40.5438 -3.70458 -29.0355 -3.53755 -88.3737 -40.0765 -29.7111 -36.6212 31.3658 TIMING: 3719800 CPU: 11065.3, 0.00295223/step Wall: 11065.3, 0.00295223/step, 1.04985 hours remaining, 208.093750 MB of memory in use. ENERGY: 3719800 726.9307 2064.8804 1954.1995 98.9730 -205508.2118 17329.7927 0.0000 0.0000 34034.9047 -149298.5308 297.2353 -183333.4355 -149199.1739 298.9668 -266.8304 -236.8721 558986.0359 -5.4789 -5.4880 PRESSURE: 3720000 57.8238 8.72073 -14.8048 8.72012 32.2906 81.0771 -14.8033 81.0795 -141.257 GPRESSURE: 3720000 65.6147 -0.343316 -89.7565 -1.75852 39.6408 33.4239 44.3743 80.6616 -75.131 PRESSAVG: 3720000 33.199 -39.0077 -22.5738 -39.0077 -23.279 -7.11458 -22.5738 -7.11459 -38.2471 GPRESSAVG: 3720000 32.4783 -39.165 -23.4199 -40.9131 -22.9494 -5.40293 -20.4667 -7.28252 -37.3561 TIMING: 3720000 CPU: 11065.9, 0.00293373/step Wall: 11065.9, 0.00293373/step, 1.04311 hours remaining, 208.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3720000 749.8237 2097.4057 1953.0930 114.7283 -206445.6393 17868.9182 0.0000 0.0000 34362.6851 -149298.9854 300.0979 -183661.6705 -149197.0489 299.2530 -17.0475 10.0415 557208.3218 -9.4424 -9.2758 PRESSURE: 3720200 -23.163 73.5533 -144.811 73.5536 -270.047 -52.2898 -144.81 -52.289 -92.8504 GPRESSURE: 3720200 -8.01804 106.174 -53.7179 86.2947 -175.357 -54.9029 -168.787 -46.8087 -95.8526 PRESSAVG: 3720200 48.3153 29.2606 5.99162 29.2606 -20.0872 -10.7367 5.99159 -10.7368 -48.0599 GPRESSAVG: 3720200 49.2655 30.2637 7.20654 30.3427 -21.2699 -11.9598 4.60368 -10.1659 -47.6761 TIMING: 3720200 CPU: 11066.4, 0.00292037/step Wall: 11066.4, 0.00292037/step, 1.03819 hours remaining, 208.093750 MB of memory in use. ENERGY: 3720200 793.8242 2072.4200 1935.2831 99.8163 -206114.3064 17725.1193 0.0000 0.0000 34299.7407 -149188.1028 299.5482 -183487.8435 -149098.8305 299.9921 -128.6867 -93.0759 557507.5139 -6.6106 -6.5602 LDB: ============= START OF LOAD BALANCING ============== 11070 LDB: ============== END OF LOAD BALANCING =============== 11070 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11070 LDB: ============= START OF LOAD BALANCING ============== 11070.3 LDB: Largest compute 4802 load 0.024582 is 20.8% of average load 0.118378 LDB: Average compute 0.001738 is 1.5% of average load 0.118378 LDB: TIME 11070.3 LOAD: AVG 0.118378 MAX 0.196257 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.824 MB LDB: TIME 11070.3 LOAD: AVG 0.118378 MAX 0.196257 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: TIME 11070.3 LOAD: AVG 0.118378 MAX 0.196257 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11070.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11070.3 PRESSURE: 3720400 -234.458 -48.1922 88.4938 -48.1915 -77.453 -133.377 88.4941 -133.378 -45.6039 GPRESSURE: 3720400 -240.62 -79.397 75.7065 -55.6483 -15.4955 -127.38 63.4149 -113.316 -7.29207 PRESSAVG: 3720400 -1.16459 40.352 -3.49387 40.3519 -6.82937 -25.0383 -3.49381 -25.0384 9.00588 GPRESSAVG: 3720400 -0.919505 39.1675 -4.69975 40.2897 -6.52672 -25.3346 -2.04639 -24.934 8.21429 TIMING: 3720400 CPU: 11067, 0.00298231/step Wall: 11067, 0.00298231/step, 1.06004 hours remaining, 207.625000 MB of memory in use. ENERGY: 3720400 761.4127 2104.6182 1929.7025 107.1602 -206263.8524 17680.3057 0.0000 0.0000 34296.1210 -149384.5321 299.5166 -183680.6531 -149287.3340 299.0985 -119.1717 -87.8027 557494.2219 0.3373 0.2560 PRESSURE: 3720600 -122.636 -156.113 104.653 -156.114 -20.9569 61.6327 104.652 61.6301 110.186 GPRESSURE: 3720600 -60.4892 -239.135 72.2736 -106.104 -33.3937 144.879 81.047 -55.2907 156.428 PRESSAVG: 3720600 6.96981 -75.2466 5.23752 -75.2467 8.98558 -10.0101 5.23758 -10.01 -9.02512 GPRESSAVG: 3720600 7.2606 -73.2872 6.61769 -76.9292 9.09739 -8.93352 5.99166 -10.827 -9.22583 TIMING: 3720600 CPU: 11067.6, 0.00292925/step Wall: 11067.6, 0.00292925/step, 1.04102 hours remaining, 207.828125 MB of memory in use. ENERGY: 3720600 733.1330 2084.6711 1927.5264 119.5184 -206363.4309 17847.9442 0.0000 0.0000 34247.9374 -149402.7005 299.0958 -183650.6379 -149307.0668 298.6710 -11.1356 20.8482 556951.3580 2.3101 2.3774 PRESSURE: 3720800 -297.976 -115.712 -63.3827 -115.713 61.0662 128.407 -63.3829 128.408 97.5298 GPRESSURE: 3720800 -236 -138.57 -74.9968 -85.9017 66.7016 16.7417 42.9739 151.263 127.175 PRESSAVG: 3720800 12.7433 -19.9784 2.13806 -19.9784 -56.0983 -26.919 2.13807 -26.9191 19.5827 GPRESSAVG: 3720800 12.2455 -22.593 0.798937 -19.0256 -57.5324 -26.6429 -0.247661 -26.7801 20.2498 TIMING: 3720800 CPU: 11068.2, 0.00291138/step Wall: 11068.2, 0.00291138/step, 1.03451 hours remaining, 207.828125 MB of memory in use. ENERGY: 3720800 738.6412 2100.4882 1928.1563 115.4045 -206223.1609 17800.3700 0.0000 0.0000 34243.6008 -149296.4998 299.0579 -183540.1006 -149199.9561 299.3975 -46.4599 -14.0410 556271.0120 -7.9241 -8.3457 PRESSURE: 3721000 -319.809 86.3377 -19.3176 86.3377 -325.146 -97.4192 -19.3176 -97.4183 -302.783 GPRESSURE: 3721000 -328.594 116.45 -105.263 34.9832 -290.533 -86.879 48.3305 -53.2754 -222.645 PRESSAVG: 3721000 25.1119 -44.8905 -18.5151 -44.8905 -74.0574 26.3978 -18.5151 26.3978 59.827 GPRESSAVG: 3721000 24.9313 -45.0077 -16.0659 -44.1894 -73.2793 24.9158 -20.1948 28.2616 59.6314 TIMING: 3721000 CPU: 11068.8, 0.00295312/step Wall: 11068.8, 0.00295312/step, 1.04918 hours remaining, 207.828125 MB of memory in use. ENERGY: 3721000 738.7445 2094.2159 1916.8247 100.5703 -206050.4639 17501.6316 0.0000 0.0000 34319.0119 -149379.4651 299.7165 -183698.4769 -149285.5066 299.6958 -315.9127 -280.5907 557977.2961 3.6272 3.7611 PRESSURE: 3721200 83.1952 -52.6485 112.267 -52.6488 86.8642 94.8969 112.267 94.8958 -228.451 GPRESSURE: 3721200 107.868 -76.5459 36.7648 -16.8642 124.801 103.896 105.778 100.231 -191.849 PRESSAVG: 3721200 -4.83919 -15.4427 -19.45 -15.4427 -49.1259 -23.928 -19.45 -23.9278 3.01781 GPRESSAVG: 3721200 -4.16429 -16.0282 -21.1733 -12.6965 -48.8574 -22.9462 -18.2325 -24.4471 1.7955 TIMING: 3721200 CPU: 11069.4, 0.00299108/step Wall: 11069.4, 0.00299108/step, 1.0625 hours remaining, 207.828125 MB of memory in use. ENERGY: 3721200 741.8503 2126.9643 1936.4719 130.3735 -206376.5218 17788.5500 0.0000 0.0000 34254.4678 -149397.8440 299.1528 -183652.3118 -149297.7976 299.0041 -19.4638 13.6068 557290.8465 -16.9824 -17.0754 PRESSURE: 3721400 -105.858 -85.1659 176.753 -85.167 -116.963 -25.6875 176.752 -25.6876 79.0067 GPRESSURE: 3721400 -102.445 -116.394 143.875 -89.7715 -92.242 -51.5258 175.728 -5.71892 156.1 PRESSAVG: 3721400 -12.2239 24.546 -14.4909 24.5461 -47.1283 12.8559 -14.4909 12.856 26.0386 GPRESSAVG: 3721400 -13.0416 25.9017 -14.4348 22.027 -47.3577 11.6297 -14.536 13.3681 27.1416 TIMING: 3721400 CPU: 11070, 0.0029657/step Wall: 11070, 0.0029657/step, 1.05332 hours remaining, 207.828125 MB of memory in use. ENERGY: 3721400 726.2061 2075.9282 1903.7761 120.8121 -205923.9215 17665.1500 0.0000 0.0000 33965.6906 -149466.3584 296.6308 -183432.0490 -149363.9565 298.4818 -47.9383 -12.8625 557969.1452 -11.1045 -11.0859 PRESSURE: 3721600 29.7991 15.6396 3.57877 15.64 111.327 52.8588 3.57932 52.8567 70.7827 GPRESSURE: 3721600 94.686 18.091 -0.657392 17.1346 84.2365 79.8481 81.0756 20.0854 123.665 PRESSAVG: 3721600 -2.35308 2.90888 -8.54393 2.90884 -1.31223 -48.802 -8.54387 -48.802 -10.9976 GPRESSAVG: 3721600 -1.55553 3.69045 -9.28596 2.81061 -2.0723 -48.5472 -8.11699 -48.7689 -11.8291 TIMING: 3721600 CPU: 11070.6, 0.00297486/step Wall: 11070.6, 0.00297486/step, 1.05641 hours remaining, 207.828125 MB of memory in use. ENERGY: 3721600 743.7380 2079.5646 1917.8610 121.4777 -206458.9838 17889.6795 0.0000 0.0000 34251.8649 -149454.7980 299.1301 -183706.6630 -149361.5230 298.2974 70.6362 100.8626 557467.9029 -4.8876 -5.1523 PRESSURE: 3721800 -397.832 -2.25295 -6.7945 -2.25211 -132.932 35.517 -6.796 35.5176 -61.8616 GPRESSURE: 3721800 -385.124 46.4103 -13.2239 0.902058 -79.328 -42.4985 -43.7719 139.672 -19.5026 PRESSAVG: 3721800 51.6838 7.63377 3.70229 7.63373 46.5046 29.4175 3.70229 29.4175 -63.0938 GPRESSAVG: 3721800 51.0453 4.71684 4.68172 6.85933 47.5469 30.9186 2.97753 28.0129 -63.3559 TIMING: 3721800 CPU: 11071.2, 0.00297323/step Wall: 11071.2, 0.00297323/step, 1.05566 hours remaining, 207.828125 MB of memory in use. ENERGY: 3721800 750.9309 2028.2765 1952.5516 112.6787 -206342.6842 17648.5226 0.0000 0.0000 34293.0671 -149556.6568 299.4899 -183849.7238 -149456.6483 298.6687 -197.5420 -161.3182 557927.1959 11.6982 11.7454 PRESSURE: 3722000 -23.5266 81.1224 8.27624 81.1227 -280.355 124.281 8.27629 124.279 -266.858 GPRESSURE: 3722000 -5.86792 38.3703 19.7915 78.9917 -236.526 69.0256 -71.4965 172.254 -244.431 PRESSAVG: 3722000 -24.8709 -43.9679 17.8224 -43.9678 13.5771 14.6862 17.8224 14.6862 -6.72484 GPRESSAVG: 3722000 -24.4755 -41.8157 17.7824 -44.0406 13.6112 11.6014 18.2521 16.3157 -7.09114 TIMING: 3722000 CPU: 11071.8, 0.0029625/step Wall: 11071.8, 0.0029625/step, 1.05169 hours remaining, 207.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3722000 745.0934 2102.2390 1924.2287 107.4154 -206211.9204 17781.0195 0.0000 0.0000 33993.7471 -149558.1774 296.8758 -183551.9245 -149462.7023 297.8277 -190.2466 -162.2751 557940.8695 -6.0062 -5.9851 PRESSURE: 3722200 -220.5 206.459 -53.8418 206.458 11.7385 124.5 -53.8422 124.498 -148.988 GPRESSURE: 3722200 -156.619 169.001 -50.5444 209.388 74.8553 120.096 -139.307 163.953 -172.198 PRESSAVG: 3722200 -12.5399 37.4078 8.60258 37.4077 -22.4 22.4748 8.60258 22.4748 34.5937 GPRESSAVG: 3722200 -12.1728 39.8225 8.33193 35.261 -23.0594 25.1453 9.03578 20.8394 34.9258 TIMING: 3722200 CPU: 11072.3, 0.00291386/step Wall: 11072.3, 0.00291386/step, 1.03426 hours remaining, 207.828125 MB of memory in use. ENERGY: 3722200 750.9386 2070.1010 1952.4000 112.7812 -206416.0738 17841.9128 0.0000 0.0000 33995.1981 -149692.7422 296.8885 -183687.9402 -149600.6455 298.0352 -119.2499 -84.6539 558119.0581 -0.1154 -0.1021 PRESSURE: 3722400 -86.3441 29.7317 61.4553 29.7327 59.1582 31.2407 61.4557 31.2419 266.206 GPRESSURE: 3722400 -54.064 68.9837 73.8658 -91.8047 18.1546 111.612 61.8474 -71.7278 369.182 PRESSAVG: 3722400 -6.11606 14.9157 -7.1961 14.9157 -32.1052 11.1932 -7.19614 11.1933 17.9767 GPRESSAVG: 3722400 -6.31564 13.1227 -6.89607 18.12 -31.73 11.7625 -7.12101 12.2073 18.0003 TIMING: 3722400 CPU: 11072.9, 0.00294204/step Wall: 11072.9, 0.00294204/step, 1.0441 hours remaining, 207.828125 MB of memory in use. ENERGY: 3722400 725.9913 2085.1112 1934.4145 123.9447 -206646.5332 18010.8318 0.0000 0.0000 33947.3573 -149818.8826 296.4707 -183766.2399 -149729.7110 297.4157 79.6732 111.0907 556594.8272 -6.7482 -6.6818 PRESSURE: 3722600 130.506 80.2117 37.0749 80.2105 256.345 -43.3179 37.0746 -43.3174 243.362 GPRESSURE: 3722600 187.548 73.451 -88.7208 103.963 299.58 -49.3166 71.22 -38.1899 242.868 PRESSAVG: 3722600 -1.92767 33.8334 -22.7604 33.8333 -6.84502 -33.385 -22.7604 -33.3851 41.6314 GPRESSAVG: 3722600 -1.2983 32.5406 -24.7612 32.4081 -6.77511 -34.0285 -22.8131 -32.0158 40.9036 TIMING: 3722600 CPU: 11073.5, 0.00293043/step Wall: 11073.5, 0.00293043/step, 1.03981 hours remaining, 207.828125 MB of memory in use. ENERGY: 3722600 739.4177 2077.1428 1924.1584 101.5876 -206799.9685 18213.4305 0.0000 0.0000 34158.2715 -149585.9600 298.3127 -183744.2315 -149493.8254 298.3317 210.0711 243.3322 556218.8254 10.9529 10.9434 PRESSURE: 3722800 -146.111 -124.381 -74.9704 -124.382 214.061 47.0303 -74.9705 47.0297 73.9477 GPRESSURE: 3722800 -103.971 -152.637 -3.39334 -93.3462 220.094 -54.5274 -84.675 48.8903 124.198 PRESSAVG: 3722800 -2.70949 36.4285 9.23865 36.4285 10.5033 -2.41484 9.23858 -2.41479 -19.7524 GPRESSAVG: 3722800 -2.97017 35.917 10.246 37.4116 9.74452 -2.55926 7.88554 -4.38737 -18.7196 TIMING: 3722800 CPU: 11074.1, 0.00294743/step Wall: 11074.1, 0.00294743/step, 1.04568 hours remaining, 207.828125 MB of memory in use. ENERGY: 3722800 750.1603 2082.2069 1957.2625 113.6675 -206706.2659 18021.5634 0.0000 0.0000 34242.1895 -149539.2158 299.0456 -183781.4053 -149440.1077 298.1071 47.2992 80.1073 557751.2010 -3.9862 -3.9818 PRESSURE: 3723000 101.975 30.8781 -27.4132 30.8784 -189.041 -9.8154 -27.4131 -9.81587 137.198 GPRESSURE: 3723000 134.682 41.7648 37.8484 -15.5138 -119.443 5.4992 -139.677 3.69139 128.671 PRESSAVG: 3723000 -69.272 -19.9242 -1.1603 -19.9242 39.1393 -13.1142 -1.16034 -13.1142 17.5182 GPRESSAVG: 3723000 -69.6629 -17.8163 -1.43768 -19.7794 40.3782 -14.3279 -0.168529 -10.596 16.8604 TIMING: 3723000 CPU: 11074.7, 0.00295978/step Wall: 11074.7, 0.00295978/step, 1.0499 hours remaining, 207.828125 MB of memory in use. ENERGY: 3723000 768.7389 2110.0434 1931.1246 114.7890 -206808.2090 18003.6799 0.0000 0.0000 34285.1009 -149594.7321 299.4203 -183879.8331 -149490.4588 297.5107 16.7107 47.9697 557412.3595 -4.2049 -4.1414 PRESSURE: 3723200 -98.7471 13.7579 61.8309 13.757 -340.88 -8.77325 61.8322 -8.77354 -148.25 GPRESSURE: 3723200 -69.2598 95.1176 74.4497 54.1729 -283.66 -47.283 7.99075 26.5083 -137.712 PRESSAVG: 3723200 -2.02984 -13.434 25.1376 -13.4339 -1.89442 -37.101 25.1377 -37.101 14.8947 GPRESSAVG: 3723200 -1.8377 -11.782 26.3476 -13.5859 -2.19558 -37.0221 23.6359 -36.1872 15.857 TIMING: 3723200 CPU: 11075.3, 0.00294527/step Wall: 11075.3, 0.00294527/step, 1.04459 hours remaining, 207.828125 MB of memory in use. ENERGY: 3723200 738.6569 2128.9334 1933.4540 108.3221 -206503.6290 17644.3380 0.0000 0.0000 34176.1078 -149773.8167 298.4684 -183949.9245 -149671.3938 298.6064 -195.9589 -163.5440 558072.5532 3.6568 3.9412 PRESSURE: 3723400 46.5922 -136.996 -148.882 -136.997 -304.454 2.73351 -148.882 2.73474 209.512 GPRESSURE: 3723400 82.9045 -118.782 -97.4082 -93.2162 -277.614 -16.1296 -163.983 -62.0983 241.653 PRESSAVG: 3723400 49.6692 -16.7645 -12.8182 -16.7645 -37.1744 -13.7766 -12.8182 -13.7765 4.41701 GPRESSAVG: 3723400 48.8353 -18.5956 -13.5303 -17.3742 -37.7336 -12.6485 -11.0162 -16.3369 5.75572 TIMING: 3723400 CPU: 11075.9, 0.00293666/step Wall: 11075.9, 0.00293666/step, 1.04137 hours remaining, 207.828125 MB of memory in use. ENERGY: 3723400 752.2489 2120.8980 1937.3075 105.0742 -206546.3326 17730.5242 0.0000 0.0000 34189.6662 -149710.6136 298.5869 -183900.2798 -149611.0407 297.8533 -16.1166 15.6478 557113.7424 5.6373 5.6191 PRESSURE: 3723600 -99.8012 -79.1577 263.544 -79.1586 -71.7419 69.2877 263.544 69.288 -29.6402 GPRESSURE: 3723600 -112.903 -95.2386 141.142 -36.8988 -55.1669 39.5501 266.454 147.852 50.8096 PRESSAVG: 3723600 -32.4239 25.2965 31.9307 25.2965 -9.79821 -10.0304 31.9307 -10.0304 36.8477 GPRESSAVG: 3723600 -32.0381 24.4168 31.4284 27.7358 -8.8335 -9.82256 31.8192 -8.89191 35.3399 TIMING: 3723600 CPU: 11076.5, 0.00293525/step Wall: 11076.5, 0.00293525/step, 1.04071 hours remaining, 207.828125 MB of memory in use. ENERGY: 3723600 752.3839 2114.3772 1924.6276 114.6753 -206175.5980 17626.7488 0.0000 0.0000 34088.9186 -149553.8667 297.7070 -183642.7853 -149460.0369 298.3948 -67.0611 -39.0869 556996.9947 -1.7915 -1.8439 PRESSURE: 3723800 -183.257 152.734 -45.5584 152.733 -58.6399 -4.01594 -45.5592 -4.01605 69.2906 GPRESSURE: 3723800 -196.037 105.722 -52.016 98.5609 -43.1612 -61.8398 -40.0558 22.688 152.514 PRESSAVG: 3723800 -10.3765 -18.3905 53.2365 -18.3905 -32.7956 47.7695 53.2365 47.7694 24.5286 GPRESSAVG: 3723800 -10.2579 -19.6362 53.3398 -19.4974 -33.7204 48.0261 53.2401 48.2182 25.6976 TIMING: 3723800 CPU: 11077.1, 0.00294655/step Wall: 11077.1, 0.00294654/step, 1.04455 hours remaining, 207.828125 MB of memory in use. ENERGY: 3723800 728.8748 2080.0398 1923.8556 105.8045 -206318.4075 17784.0690 0.0000 0.0000 34145.2179 -149550.5459 298.1987 -183695.7638 -149448.5682 297.9360 -57.5354 -28.8949 557788.4328 -6.2145 -6.0936 PRESSURE: 3724000 -105.788 -52.2538 -18.1928 -52.2537 -240.696 44.2105 -18.1937 44.2129 -333.623 GPRESSURE: 3724000 -57.4295 -34.7989 46.6045 -69.1964 -196.639 -41.9631 -40.27 27.4386 -339.989 PRESSAVG: 3724000 -31.6727 -26.5004 -50.7568 -26.5003 5.39287 33.1697 -50.7567 33.1698 19.8089 GPRESSAVG: 3724000 -30.8972 -24.6518 -49.4979 -26.9981 5.21007 31.7209 -51.5145 33.9171 18.8373 TIMING: 3724000 CPU: 11077.6, 0.00292459/step Wall: 11077.6, 0.00292459/step, 1.0366 hours remaining, 207.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3724000 731.8119 2088.8061 1911.8566 110.9001 -205966.8813 17552.2032 0.0000 0.0000 34033.2202 -149538.0833 297.2206 -183571.3034 -149440.4075 297.8448 -226.7024 -198.0191 558831.6992 -2.1570 -2.2833 PRESSURE: 3724200 -66.1496 -90.5456 23.1842 -90.5455 -97.8021 -90.9951 23.1847 -90.9935 -2.32303 GPRESSURE: 3724200 -8.57757 -83.0166 78.8786 -109.223 -67.2462 -111.602 41.0324 -136.36 12.1124 PRESSAVG: 3724200 -1.16734 11.8801 -31.5705 11.88 -11.7163 -77.7436 -31.5705 -77.7437 12.2485 GPRESSAVG: 3724200 -1.86984 11.5761 -32.3629 11.0601 -11.2626 -76.2599 -31.8504 -79.7906 12.8656 TIMING: 3724200 CPU: 11078.2, 0.0029248/step Wall: 11078.2, 0.0029248/step, 1.03652 hours remaining, 207.828125 MB of memory in use. ENERGY: 3724200 706.7321 2156.6946 1891.9722 110.5279 -206522.7979 17847.7224 0.0000 0.0000 34128.0555 -149681.0932 298.0488 -183809.1487 -149580.5578 297.9981 -55.4249 -21.2371 556878.3678 -0.2117 -0.0890 LDB: ============= START OF LOAD BALANCING ============== 11081.8 LDB: ============== END OF LOAD BALANCING =============== 11081.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11081.8 LDB: ============= START OF LOAD BALANCING ============== 11082.1 LDB: Largest compute 4802 load 0.025244 is 21.4% of average load 0.118182 LDB: Average compute 0.001740 is 1.5% of average load 0.118182 LDB: TIME 11082.1 LOAD: AVG 0.118182 MAX 0.196197 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.652 MB LDB: TIME 11082.1 LOAD: AVG 0.118182 MAX 0.196197 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.652 MB LDB: TIME 11082.1 LOAD: AVG 0.118182 MAX 0.196197 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.652 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11082.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11082.1 PRESSURE: 3724400 22.722 -8.13503 -7.98641 -8.13445 4.95257 -210.801 -7.98614 -210.801 -53.5944 GPRESSURE: 3724400 1.33277 29.1895 -32.0343 -22.2998 28.0279 -99.1752 51.1937 -214.94 36.8353 PRESSAVG: 3724400 13.0886 40.7302 25.6292 40.7302 18.5903 -0.565148 25.6293 -0.565052 -25.7391 GPRESSAVG: 3724400 12.2829 41.7461 24.1481 41.4926 19.979 -2.35407 26.0973 1.44552 -26.5353 TIMING: 3724400 CPU: 11078.8, 0.00299995/step Wall: 11078.8, 0.00299995/step, 1.06298 hours remaining, 207.425781 MB of memory in use. ENERGY: 3724400 732.0639 2102.1155 1942.2944 113.4454 -206629.5246 17826.1699 0.0000 0.0000 34108.0016 -149805.4339 297.8737 -183913.4355 -149715.4142 297.5852 -8.6399 22.0653 557130.1113 1.9799 1.9089 PRESSURE: 3724600 -69.334 13.9126 -41.0218 13.9135 -78.0215 -129.608 -41.0213 -129.606 47.5561 GPRESSURE: 3724600 -53.5665 87.055 -63.1709 -1.86683 -31.2254 -145.724 -80.2859 -26.4486 66.6541 PRESSAVG: 3724600 -45.8721 -39.4647 21.1143 -39.4647 10.0614 -32.2946 21.1142 -32.2946 43.8964 GPRESSAVG: 3724600 -45.6936 -40.9109 20.9849 -40.8754 9.94372 -31.3876 21.3369 -31.7615 44.2002 TIMING: 3724600 CPU: 11079.4, 0.00293801/step Wall: 11079.4, 0.00293801/step, 1.04087 hours remaining, 207.425781 MB of memory in use. ENERGY: 3724600 726.2228 2108.0301 1964.8355 111.4980 -206426.7303 17738.6158 0.0000 0.0000 34146.2296 -149631.2986 298.2075 -183777.5281 -149530.8274 296.9048 -33.2665 -6.0459 557663.8809 2.6952 2.8168 PRESSURE: 3724800 -59.2106 -228.393 -141.925 -228.393 7.88058 -37.7941 -141.927 -37.7928 -52.2803 GPRESSURE: 3724800 -70.6739 -257.561 -96.98 -179.942 9.8371 -60.76 -141.172 -68.7187 53.5229 PRESSAVG: 3724800 -15.4019 54.2767 -21.3626 54.2767 21.3781 21.8231 -21.3626 21.8232 -3.882 GPRESSAVG: 3724800 -15.5295 55.0728 -19.1649 56.8964 20.3804 19.8328 -21.0175 21.0454 -2.87648 TIMING: 3724800 CPU: 11080, 0.00294409/step Wall: 11080, 0.00294409/step, 1.04286 hours remaining, 207.425781 MB of memory in use. ENERGY: 3724800 742.2304 2070.3611 1933.9606 118.3011 -206487.2817 17937.2421 0.0000 0.0000 34142.5053 -149542.6812 298.1750 -183685.1865 -149434.8140 298.4428 -34.5368 -2.4380 558350.3789 0.6981 0.6581 PRESSURE: 3725000 81.666 6.32268 -4.5204 6.3215 -69.2617 -10.9474 -4.51995 -10.949 -173.011 GPRESSURE: 3725000 114.285 1.05668 5.0733 -29.5189 -47.0359 -19.7444 12.8147 2.9782 -125.955 PRESSAVG: 3725000 10.2323 -56.1978 -43.7012 -56.1978 -27.7247 -14.5866 -43.7013 -14.5865 13.0746 GPRESSAVG: 3725000 11.1013 -57.5642 -44.3957 -58.1913 -27.5747 -11.7614 -43.0657 -17.1804 11.8637 TIMING: 3725000 CPU: 11080.6, 0.00291322/step Wall: 11080.6, 0.00291322/step, 1.03177 hours remaining, 207.425781 MB of memory in use. ENERGY: 3725000 749.0507 2073.5235 1948.1702 119.8267 -206274.9878 17814.6172 0.0000 0.0000 34174.4980 -149395.3016 298.4544 -183569.7995 -149301.4189 298.8577 -53.5355 -19.5685 558413.4275 -1.4726 -1.5366 PRESSURE: 3725200 -142.627 206.043 -45.4135 206.042 2.15408 -187.969 -45.4128 -187.969 -174.415 GPRESSURE: 3725200 -138.898 216.315 22.4504 186.706 21.0592 -233.772 -126.969 -114.736 -109.59 PRESSAVG: 3725200 3.57451 38.7148 -24.1775 38.7148 35.1205 22.3267 -24.1776 22.3268 -80.6198 GPRESSAVG: 3725200 2.96398 39.6735 -27.4418 38.4474 33.8113 20.3372 -22.3199 23.9943 -78.7841 TIMING: 3725200 CPU: 11081.2, 0.0029134/step Wall: 11081.2, 0.0029134/step, 1.03167 hours remaining, 207.425781 MB of memory in use. ENERGY: 3725200 783.8414 2039.5825 1916.5413 130.3089 -206184.1436 17777.4830 0.0000 0.0000 34371.0230 -149165.3634 300.1707 -183536.3865 -149077.7097 299.5417 -104.9625 -75.8096 559088.6454 -13.9749 -14.0029 PRESSURE: 3725400 -21.4271 37.7514 148.758 37.7504 68.5529 -37.8063 148.759 -37.8065 182.33 GPRESSURE: 3725400 -0.391877 25.3151 124.409 16.8405 95.1769 52.7406 143.132 -43.6947 236.531 PRESSAVG: 3725400 6.28415 1.40837 19.101 1.40836 12.0452 -15.4864 19.1011 -15.4864 -35.705 GPRESSAVG: 3725400 6.78847 1.17822 20.6062 2.84118 13.1077 -14.9261 18.6461 -16.3907 -36.9265 TIMING: 3725400 CPU: 11081.8, 0.0029508/step Wall: 11081.8, 0.0029508/step, 1.04475 hours remaining, 207.425781 MB of memory in use. ENERGY: 3725400 773.6435 2045.4104 1925.3616 108.3304 -206541.8337 18065.4611 0.0000 0.0000 34457.9119 -149165.7147 300.9295 -183623.6266 -149073.0373 299.6209 76.4853 110.4387 556784.0781 -5.7919 -5.6768 PRESSURE: 3725600 -161.199 124.624 244.809 124.625 -231.878 35.4962 244.808 35.4969 -61.9735 GPRESSURE: 3725600 -140.349 38.1914 292.723 165.265 -204.642 -25.3923 226.921 60.1626 1.00011 PRESSAVG: 3725600 37.9415 28.1504 26.9249 28.1505 -9.74005 -33.0241 26.9248 -33.0241 45.7208 GPRESSAVG: 3725600 38.9052 26.9893 25.2416 27.684 -10.1634 -32.8189 26.2631 -31.2339 45.1508 TIMING: 3725600 CPU: 11082.3, 0.00294382/step Wall: 11082.3, 0.00294382/step, 1.04211 hours remaining, 207.425781 MB of memory in use. ENERGY: 3725600 748.5603 2035.1887 1897.1553 109.8865 -206055.1136 17660.6434 0.0000 0.0000 34233.8386 -149369.8408 298.9726 -183603.6793 -149273.3678 299.2534 -151.6835 -114.6636 558068.1977 24.6408 24.6309 PRESSURE: 3725800 -117.916 139.047 -7.35084 139.046 46.1936 -126.668 -7.35036 -126.669 -4.19824 GPRESSURE: 3725800 -30.6696 140.137 49.0734 115.744 1.85912 -116.063 -46.7899 -79.116 57.2977 PRESSAVG: 3725800 17.5766 41.765 20.416 41.765 56.0927 -23.2417 20.416 -23.2418 -41.6529 GPRESSAVG: 3725800 17.0129 41.9789 21.0242 42.9779 56.0414 -23.72 20.0889 -22.6717 -41.6243 TIMING: 3725800 CPU: 11082.9, 0.00295412/step Wall: 11082.9, 0.00295412/step, 1.04559 hours remaining, 207.425781 MB of memory in use. ENERGY: 3725800 766.8484 2067.8520 1943.0029 113.9148 -206253.2537 17870.7360 0.0000 0.0000 34036.4998 -149454.3998 297.2492 -183490.8996 -149360.2822 298.5616 -25.3069 9.4957 556386.1712 10.6721 10.4767 PRESSURE: 3726000 212.261 28.4429 -77.0166 28.4427 -101.794 -135.121 -77.0153 -135.121 -110.702 GPRESSURE: 3726000 237.038 65.0711 24.0725 32.1384 -28.9596 -200.693 -126.917 -123.491 -119.342 PRESSAVG: 3726000 26.239 1.39591 -7.78995 1.39592 24.2106 -13.1259 -7.78989 -13.1259 -65.9509 GPRESSAVG: 3726000 25.365 2.24831 -5.74587 0.398942 24.9658 -13.0291 -8.70435 -13.2067 -66.4756 TIMING: 3726000 CPU: 11083.5, 0.00295061/step Wall: 11083.5, 0.00295061/step, 1.04419 hours remaining, 207.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3726000 745.1276 2087.4865 1945.1853 115.4742 -206215.8166 17828.3546 0.0000 0.0000 34131.5854 -149362.6029 298.0796 -183494.1883 -149271.3537 298.4286 -0.0782 29.5787 556890.5115 -5.1671 -5.3816 PRESSURE: 3726200 261.205 126.319 45.9484 126.32 90.2853 37.309 45.9488 37.3097 -60.7009 GPRESSURE: 3726200 269.329 155.724 24.012 221.737 167.538 -78.1747 6.78714 92.128 -39.1718 PRESSAVG: 3726200 37.7607 20.9994 -4.39976 20.9993 -24.5659 -17.8083 -4.3997 -17.8083 -36.6671 GPRESSAVG: 3726200 37.3571 21.2865 -5.46894 19.4986 -24.4821 -15.6292 -3.37373 -19.2546 -36.592 TIMING: 3726200 CPU: 11084.1, 0.0029436/step Wall: 11084.1, 0.0029436/step, 1.04154 hours remaining, 207.425781 MB of memory in use. ENERGY: 3726200 745.5357 2058.2489 1946.9580 123.0654 -206623.5869 18044.6760 0.0000 0.0000 34383.5116 -149321.5914 300.2798 -183705.1030 -149226.6124 299.2618 96.9299 132.5649 556581.1538 -7.8241 -7.9057 PRESSURE: 3726400 25.0393 90.3162 -17.3307 90.3177 -54.8378 -129.601 -17.3319 -129.603 -109.625 GPRESSURE: 3726400 40.7542 142.452 -119.399 123.534 -54.3597 -73.2825 96.4484 -164.051 -29.5983 PRESSAVG: 3726400 -6.00538 24.6694 -1.25581 24.6695 35.311 -50.8824 -1.25577 -50.8825 23.2424 GPRESSAVG: 3726400 -6.24282 23.8927 -1.24535 24.3549 34.643 -51.421 0.849014 -49.6396 23.9383 TIMING: 3726400 CPU: 11084.7, 0.00295149/step Wall: 11084.7, 0.00295149/step, 1.04417 hours remaining, 207.425781 MB of memory in use. ENERGY: 3726400 700.1067 2101.9294 1918.9714 111.1380 -206217.1947 17608.3024 0.0000 0.0000 34402.0598 -149374.6870 300.4417 -183776.7468 -149281.3260 298.9562 -46.4744 -14.4013 556674.7917 17.5160 17.4462 PRESSURE: 3726600 183.756 -45.3269 -29.6417 -45.326 -27.9529 -42.3619 -29.6417 -42.3598 232.132 GPRESSURE: 3726600 187.521 -55.9869 20.388 -4.83693 -10.9722 -12.1878 -37.3866 -82.0876 318.073 PRESSAVG: 3726600 -1.34552 43.5423 -45.6155 43.5423 -34.0167 -88.1045 -45.6156 -88.1044 9.97483 GPRESSAVG: 3726600 -2.01643 43.6985 -45.5448 44.1548 -32.8707 -89.5349 -46.0791 -88.0002 9.81155 TIMING: 3726600 CPU: 11085.3, 0.00291525/step Wall: 11085.3, 0.00291525/step, 1.03119 hours remaining, 207.425781 MB of memory in use. ENERGY: 3726600 739.3574 2106.9361 1917.8906 125.1488 -206486.3833 18078.7806 0.0000 0.0000 34336.9004 -149181.3694 299.8727 -183518.2698 -149080.0722 299.4790 129.3115 164.8739 557089.5235 -8.4625 -8.3585 PRESSURE: 3726800 -2.87176 40.4864 108.678 40.4858 -536.663 -163.254 108.678 -163.255 -188.171 GPRESSURE: 3726800 -14.5528 46.6271 55.192 58.3548 -500.253 -81.539 67.4391 -180.69 -121.073 PRESSAVG: 3726800 7.8637 25.2455 -8.68935 25.2455 -55.8285 -41.8728 -8.68938 -41.8729 11.3384 GPRESSAVG: 3726800 10.8723 26.2943 -8.83081 23.6108 -58.6344 -41.8569 -8.79866 -42.1253 10.6922 TIMING: 3726800 CPU: 11085.9, 0.00291342/step Wall: 11085.9, 0.00291342/step, 1.03038 hours remaining, 207.425781 MB of memory in use. ENERGY: 3726800 783.1073 2087.8375 1950.7910 109.5091 -205896.6967 17492.1538 0.0000 0.0000 34233.7822 -149239.5159 298.9721 -183473.2981 -149152.6867 299.2189 -242.5687 -211.9595 557332.9812 -12.2088 -12.3566 PRESSURE: 3727000 275.058 198.467 66.7284 198.466 -202.623 -78.5914 66.7283 -78.5904 134.682 GPRESSURE: 3727000 321.083 228.267 50.3479 199.406 -207.263 -109.763 42.9375 -64.0116 184.971 PRESSAVG: 3727000 9.58622 71.5236 -34.7079 71.5235 -85.7935 -18.4981 -34.7078 -18.4979 79.2119 GPRESSAVG: 3727000 9.66141 70.6195 -34.7062 72.598 -84.6824 -18.8178 -33.7938 -18.9344 77.7784 TIMING: 3727000 CPU: 11086.5, 0.00296508/step Wall: 11086.5, 0.00296508/step, 1.04849 hours remaining, 207.425781 MB of memory in use. ENERGY: 3727000 717.3251 2119.0266 1933.4593 115.3360 -206165.2776 17793.8100 0.0000 0.0000 34073.6216 -149412.6990 297.5734 -183486.3206 -149318.1153 298.8607 69.0388 99.5969 556557.0380 1.0015 0.9191 PRESSURE: 3727200 -195.549 55.1414 -69.9953 55.1425 -36.0576 -46.8776 -69.9956 -46.8761 170.131 GPRESSURE: 3727200 -163.304 8.38166 -87.6094 40.8374 -16.5133 -113.524 -121.616 -80.0353 210.022 PRESSAVG: 3727200 44.5143 51.9567 56.0013 51.9567 -57.8715 -2.134 56.0013 -2.13396 -18.5963 GPRESSAVG: 3727200 44.4399 52.9665 56.2862 52.0312 -57.7258 0.0638193 52.9859 -2.47193 -18.4782 TIMING: 3727200 CPU: 11087.1, 0.00294359/step Wall: 11087.1, 0.00294359/step, 1.04072 hours remaining, 207.425781 MB of memory in use. ENERGY: 3727200 719.3734 2055.0880 1925.0726 112.1515 -206249.9400 17901.2381 0.0000 0.0000 34109.8822 -149427.1342 297.8901 -183537.0164 -149328.4873 298.6319 -20.4919 10.0681 558573.8623 -10.6512 -10.5880 PRESSURE: 3727400 63.1706 -54.8726 -198.531 -54.8736 123.232 -41.4213 -198.531 -41.422 -98.1 GPRESSURE: 3727400 96.1231 -96.9999 -226.346 -69.6715 88.0913 -94.9707 -178.218 -31.8927 -16.7901 PRESSAVG: 3727400 -9.61786 11.968 0.303497 11.968 -22.4528 -12.8829 0.303484 -12.8828 50.4616 GPRESSAVG: 3727400 -11.2261 7.86551 0.274802 12.7302 -24.1128 -15.0698 0.354987 -12.6755 52.4165 TIMING: 3727400 CPU: 11087.6, 0.00294909/step Wall: 11087.6, 0.00294909/step, 1.0425 hours remaining, 207.425781 MB of memory in use. ENERGY: 3727400 737.5307 2137.3258 1953.4651 117.0597 -206291.6319 17754.7105 0.0000 0.0000 34077.0808 -149514.4593 297.6036 -183591.5401 -149409.2765 298.3750 29.4341 55.8081 556373.1679 6.1303 5.6926 PRESSURE: 3727600 61.8263 41.5186 44.2264 41.5202 -5.54876 -3.06732 44.2276 -3.06617 -62.9133 GPRESSURE: 3727600 54.6543 62.1453 -13.0552 7.03165 55.7595 -9.14404 -4.47323 -13.9384 -20.0902 PRESSAVG: 3727600 55.2606 13.384 -48.497 13.3839 -11.2179 -7.15027 -48.497 -7.15029 -45.3825 GPRESSAVG: 3727600 56.0896 16.2952 -50.6923 13.5588 -11.3743 -5.73586 -48.6334 -7.78471 -46.1628 TIMING: 3727600 CPU: 11088.2, 0.00294921/step Wall: 11088.2, 0.00294921/step, 1.04238 hours remaining, 207.425781 MB of memory in use. ENERGY: 3727600 782.8653 2054.7085 1931.9194 122.7711 -205939.7306 17597.8157 0.0000 0.0000 33958.7603 -149490.8903 296.5703 -183449.6506 -149401.6260 298.1591 -2.2119 30.1078 557356.6279 -0.4466 -0.4825 PRESSURE: 3727800 -271.001 125.651 21.0626 125.652 -141.67 39.4227 21.0632 39.4231 -57.7678 GPRESSURE: 3727800 -268.984 145.706 -9.89702 129.851 -149.321 55.0154 6.20133 -15.083 52.3875 PRESSAVG: 3727800 20.4582 5.25356 -32.9157 5.25344 11.4075 23.9141 -32.9157 23.9142 -49.0272 GPRESSAVG: 3727800 20.5835 5.95876 -30.2459 4.63109 11.1516 22.6603 -31.4996 24.3629 -48.3125 TIMING: 3727800 CPU: 11088.8, 0.00295871/step Wall: 11088.8, 0.00295871/step, 1.04557 hours remaining, 207.425781 MB of memory in use. ENERGY: 3727800 743.8893 2100.7884 1933.2164 122.9466 -206147.6978 17658.0605 0.0000 0.0000 34368.0881 -149220.7085 300.1451 -183588.7966 -149120.8676 298.8155 -156.8132 -121.9725 557289.8651 -5.7205 -5.5258 PRESSURE: 3728000 -219.924 51.2636 -62.1151 51.2639 -212.457 21.3535 -62.1147 21.3546 12.332 GPRESSURE: 3728000 -188.78 117.248 8.992 10.667 -153.384 42.2451 6.85365 9.82516 22.875 PRESSAVG: 3728000 24.8652 4.40767 -16.1664 4.40763 -41.0158 -14.1585 -16.1663 -14.1585 26.5488 GPRESSAVG: 3728000 22.9826 3.62883 -16.42 4.7918 -39.3427 -13.6949 -17.5532 -15.1208 26.2615 TIMING: 3728000 CPU: 11089.4, 0.00296467/step Wall: 11089.4, 0.00296467/step, 1.04752 hours remaining, 207.425781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3728000 766.4015 2064.2132 1932.0989 127.6534 -206290.8025 17682.5959 0.0000 0.0000 34331.7641 -149386.0754 299.8278 -183717.8395 -149292.8475 299.1939 -140.0161 -106.4297 558134.0089 3.4661 3.3005 PRESSURE: 3728200 -191.125 -220.56 92.2359 -220.56 -258.041 31.5797 92.2359 31.578 -231.76 GPRESSURE: 3728200 -171.76 -143.89 120.881 -220.327 -220.098 29.1156 -15.8143 124.864 -197.999 PRESSAVG: 3728200 7.77296 8.34911 -38.1782 8.34909 -8.6051 -8.29066 -38.1783 -8.29068 -0.282109 GPRESSAVG: 3728200 9.71359 9.02551 -38.371 9.04095 -9.33663 -8.24284 -37.8341 -7.83964 -1.03316 TIMING: 3728200 CPU: 11090, 0.0029744/step Wall: 11090, 0.0029744/step, 1.05079 hours remaining, 207.425781 MB of memory in use. ENERGY: 3728200 745.7878 2060.1436 1934.2978 109.9607 -206077.9990 17640.5202 0.0000 0.0000 34277.8368 -149309.4521 299.3569 -183587.2890 -149214.8336 298.9786 -226.9753 -196.6189 559605.0786 -0.3714 -0.2187 LDB: ============= START OF LOAD BALANCING ============== 11093.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11093.6 LDB: =============== DONE WITH MIGRATION ================ 11093.6 LDB: ============= START OF LOAD BALANCING ============== 11093.9 LDB: Largest compute 4802 load 0.025945 is 21.9% of average load 0.118225 LDB: Average compute 0.001739 is 1.5% of average load 0.118225 LDB: TIME 11093.9 LOAD: AVG 0.118225 MAX 0.19494 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.34 MB LDB: TIME 11093.9 LOAD: AVG 0.118225 MAX 0.19494 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.402 MB LDB: TIME 11093.9 LOAD: AVG 0.118225 MAX 0.19494 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.402 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11093.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11093.9 PRESSURE: 3728400 -132.374 76.38 179 76.3788 185.755 17.4152 178.999 17.4164 301.514 GPRESSURE: 3728400 -99.1981 91.5349 176.294 118.63 202.484 77.9705 113.858 -107.786 348.743 PRESSAVG: 3728400 -3.10906 -18.3146 25.7028 -18.3147 -0.61532 21.1927 25.7029 21.1927 -2.3472 GPRESSAVG: 3728400 -5.27524 -20.3495 25.3064 -18.1062 -0.19213 19.6841 24.2311 20.5157 -0.578266 TIMING: 3728400 CPU: 11090.6, 0.00301592/step Wall: 11090.6, 0.00301592/step, 1.06529 hours remaining, 206.601562 MB of memory in use. ENERGY: 3728400 735.2756 2122.0341 1907.5256 107.6631 -206697.6079 18095.1523 0.0000 0.0000 34461.7304 -149268.2268 300.9629 -183729.9572 -149175.2879 299.2355 118.2984 150.6765 558217.1356 -2.0239 -2.0152 PRESSURE: 3728600 254.151 -3.56093 18.3965 -3.56156 57.8491 207.569 18.3966 207.569 152.576 GPRESSURE: 3728600 306.755 46.6085 -29.7824 -0.00848748 115.833 97.7131 38.5731 261.61 138.19 PRESSAVG: 3728600 112.128 10.9413 -12.9071 10.9413 -87.0791 32.6195 -12.9071 32.6194 -37.2544 GPRESSAVG: 3728600 113.637 12.5946 -14.5049 10.6241 -87.108 33.4106 -10.9297 34.0229 -38.0291 TIMING: 3728600 CPU: 11091.2, 0.00294501/step Wall: 11091.2, 0.00294501/step, 1.04008 hours remaining, 206.601562 MB of memory in use. ENERGY: 3728600 785.4842 2109.3646 1923.0601 113.2084 -207011.7340 18345.1594 0.0000 0.0000 34450.4652 -149284.9921 300.8645 -183735.4574 -149197.0316 299.2442 154.8588 186.9260 557130.5092 -4.0686 -3.8333 PRESSURE: 3728800 -127.571 117.65 7.91013 117.65 -172.351 75.8386 7.90939 75.8392 -162.198 GPRESSURE: 3728800 -128.658 54.5094 -122.937 144.107 -178.865 142.359 70.5498 -15.726 -68.0704 PRESSAVG: 3728800 75.9717 17.7638 -26.2002 17.7637 -39.8081 4.0305 -26.2002 4.03056 1.08315 GPRESSAVG: 3728800 75.6726 18.4453 -24.9696 16.7991 -39.9964 3.69478 -26.5797 3.51538 1.30792 TIMING: 3728800 CPU: 11091.8, 0.00293321/step Wall: 11091.8, 0.00293321/step, 1.03575 hours remaining, 206.601562 MB of memory in use. ENERGY: 3728800 752.9037 2051.2215 1923.5820 118.7787 -206179.3022 17717.5863 0.0000 0.0000 34377.3298 -149237.9000 300.2258 -183615.2298 -149137.7608 299.9091 -154.0398 -125.1977 558866.0483 12.4156 12.3280 PRESSURE: 3729000 -94.1666 -32.3832 153.527 -32.3838 55.4371 -90.1649 153.526 -90.1661 145.589 GPRESSURE: 3729000 -54.1522 -6.5315 152.525 -84.1114 64.6227 -130.374 171.667 -178.731 197.435 PRESSAVG: 3729000 17.5751 -5.69171 76.0963 -5.69172 25.2173 -24.6667 76.0962 -24.6667 -6.58995 GPRESSAVG: 3729000 17.287 -9.02966 77.6948 -3.73766 25.0655 -23.5755 76.9142 -24.3645 -5.98927 TIMING: 3729000 CPU: 11092.4, 0.00294678/step Wall: 11092.4, 0.00294678/step, 1.04038 hours remaining, 206.601562 MB of memory in use. ENERGY: 3729000 741.4981 2147.9892 1914.0195 117.3891 -206047.9694 17769.5982 0.0000 0.0000 34157.1796 -149200.2958 298.3031 -183357.4754 -149106.0760 299.5221 35.6199 69.3018 558451.5934 12.0675 12.1211 PRESSURE: 3729200 35.9643 33.743 -0.956392 33.7434 -289.596 99.3977 -0.956782 99.3986 136.023 GPRESSURE: 3729200 65.2649 95.997 39.3077 -29.3502 -178.624 81.1363 9.82587 102.924 99.3626 PRESSAVG: 3729200 79.4924 59.8112 25.3933 59.8111 30.9565 14.5471 25.3933 14.5472 -111.143 GPRESSAVG: 3729200 80.1684 62.9537 24.059 57.4433 30.2679 14.1423 24.5624 12.8322 -112.042 TIMING: 3729200 CPU: 11093, 0.00295255/step Wall: 11093, 0.00295255/step, 1.04225 hours remaining, 206.601562 MB of memory in use. ENERGY: 3729200 706.3794 2077.3514 1943.3723 107.4498 -205934.2424 17662.5902 0.0000 0.0000 34316.9354 -149120.1639 299.6983 -183437.0993 -149025.2622 299.4702 -39.2028 -4.6656 558257.1636 -0.2312 -0.5352 PRESSURE: 3729400 225.015 -55.9633 229.278 -55.9635 -2.36584 -152.902 229.278 -152.901 -103.742 GPRESSURE: 3729400 295.665 -0.887762 260.886 -36.119 26.715 -88.9765 128.558 -223.842 -97.7093 PRESSAVG: 3729400 64.629 31.4419 22.0019 31.4418 20.4468 48.1676 22.0019 48.1676 -79.2922 GPRESSAVG: 3729400 64.1134 31.4019 21.0146 32.2597 21.5065 46.8693 23.3954 49.8399 -79.6529 TIMING: 3729400 CPU: 11093.6, 0.00293911/step Wall: 11093.6, 0.00293911/step, 1.03734 hours remaining, 206.601562 MB of memory in use. ENERGY: 3729400 730.9402 2046.7407 1928.6820 107.6142 -205993.0396 17723.2489 0.0000 0.0000 34263.6026 -149192.2109 299.2326 -183455.8135 -149094.5264 298.7101 39.6357 74.8901 557554.7181 1.9279 1.9890 PRESSURE: 3729600 -9.68395 96.6947 -70.3421 96.695 -169.494 60.9239 -70.3419 60.9237 -78.4757 GPRESSURE: 3729600 3.99097 4.14307 -150.744 137.045 -100.257 104.201 -45.345 -36.0968 -70.6082 PRESSAVG: 3729600 48.9925 12.0073 -17.3824 12.0074 26.6063 -6.27554 -17.3824 -6.27552 -39.6535 GPRESSAVG: 3729600 50.2178 12.1102 -16.1693 11.0489 25.4562 -4.71517 -17.0887 -6.65064 -39.5165 TIMING: 3729600 CPU: 11094.1, 0.00293405/step Wall: 11094.1, 0.00293405/step, 1.03539 hours remaining, 206.601562 MB of memory in use. ENERGY: 3729600 730.9723 2086.4280 1914.0386 111.4732 -205641.2500 17618.1802 0.0000 0.0000 33855.6146 -149324.5430 295.6695 -183180.1576 -149236.7170 298.7904 -85.8844 -55.6248 558720.7756 11.9818 12.0525 PRESSURE: 3729800 196.145 -81.6513 16.5989 -81.6514 85.4477 -11.0752 16.5966 -11.0748 95.5689 GPRESSURE: 3729800 202.921 -117.032 21.8533 -95.5569 82.2793 -56.9279 21.9214 -43.9394 180.229 PRESSAVG: 3729800 -21.1645 -18.0873 11.4636 -18.0872 -33.2203 -5.86304 11.4636 -5.86306 32.0885 GPRESSAVG: 3729800 -21.2994 -19.3369 9.88502 -17.4524 -32.8074 -6.46728 11.1555 -6.25342 31.6324 TIMING: 3729800 CPU: 11094.7, 0.00296236/step Wall: 11094.7, 0.00296236/step, 1.04522 hours remaining, 206.601562 MB of memory in use. ENERGY: 3729800 746.4572 2065.7225 1963.9577 111.4042 -206579.7770 18276.8172 0.0000 0.0000 34056.9933 -149358.4249 297.4282 -183415.4182 -149260.1112 298.4696 125.7206 155.1432 558030.1828 -7.4321 -7.4915 PRESSURE: 3730000 18.7954 -43.983 34.8416 -43.9821 76.6409 0.873288 34.8422 0.873477 42.4525 GPRESSURE: 3730000 44.5815 42.5639 64.4057 -137.841 82.0311 -22.9213 -62.2759 21.2342 111.861 PRESSAVG: 3730000 3.83326 36.3472 -2.96775 36.3472 10.7529 12.1531 -2.96772 12.1531 -12.4184 GPRESSAVG: 3730000 3.6316 36.776 -0.348589 36.9974 9.97848 12.4537 -2.88878 11.9684 -10.8112 TIMING: 3730000 CPU: 11095.3, 0.00295083/step Wall: 11095.3, 0.00295083/step, 1.04099 hours remaining, 206.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3730000 701.5634 2107.7442 1932.1748 119.2542 -206409.9586 17809.5175 0.0000 0.0000 34544.4726 -149195.2319 301.6855 -183739.7045 -149102.5429 299.5695 45.9629 79.4911 557262.1714 0.7226 0.9329 PRESSURE: 3730200 263.109 31.0106 99.8167 31.0116 -163.957 20.5786 99.8173 20.5775 -142.078 GPRESSURE: 3730200 232.796 47.1131 123.16 44.6937 -87.5207 23.0226 44.2972 43.2595 -90.8395 PRESSAVG: 3730200 -35.7385 6.58331 17.9497 6.58327 -4.67708 17.5338 17.9497 17.5338 31.9527 GPRESSAVG: 3730200 -36.6385 3.53175 15.7203 8.34757 -3.76256 18.5961 18.205 17.3076 32.1188 TIMING: 3730200 CPU: 11095.9, 0.00296285/step Wall: 11095.9, 0.00296285/step, 1.04506 hours remaining, 206.601562 MB of memory in use. ENERGY: 3730200 744.3780 2124.8588 1956.7705 106.5827 -205786.0712 17481.1154 0.0000 0.0000 34310.7612 -149061.6045 299.6444 -183372.3657 -148969.5653 299.8997 -14.3087 18.1454 555662.9147 -2.8210 -2.7608 PRESSURE: 3730400 -314.291 26.1822 -111.633 26.1822 -122.981 7.02526 -111.633 7.02576 -131.194 GPRESSURE: 3730400 -294.302 22.7332 -61.6171 25.881 -116.83 8.47459 -134.111 53.4742 -57.2661 PRESSAVG: 3730400 -23.0362 13.5547 28.9975 13.5547 16.4496 -11.6971 28.9975 -11.6971 19.5613 GPRESSAVG: 3730400 -23.294 15.3818 32.1774 11.4703 16.6023 -10.6322 27.2568 -11.0092 19.0592 TIMING: 3730400 CPU: 11096.5, 0.0029701/step Wall: 11096.5, 0.0029701/step, 1.04745 hours remaining, 206.601562 MB of memory in use. ENERGY: 3730400 735.9063 2129.2141 1939.3939 129.7080 -205591.6947 17527.2303 0.0000 0.0000 34062.5961 -149067.6461 297.4771 -183130.2422 -148973.8728 298.7690 -189.4887 -156.1326 556822.6987 4.3249 4.1225 PRESSURE: 3730600 -55.0738 171.307 126.585 171.308 112.946 -174.3 126.586 -174.3 166.477 GPRESSURE: 3730600 -0.74348 171.896 155.578 123.087 232.015 -273.331 111.452 -139.007 96.9488 PRESSAVG: 3730600 10.2055 69.9634 -16.3669 69.9634 -11.2742 -37.2961 -16.3669 -37.2961 11.4633 GPRESSAVG: 3730600 11.459 71.2111 -18.9226 70.1199 -11.103 -38.1851 -13.8393 -36.8822 10.355 TIMING: 3730600 CPU: 11097.1, 0.00294658/step Wall: 11097.1, 0.00294658/step, 1.039 hours remaining, 206.601562 MB of memory in use. ENERGY: 3730600 734.0978 2117.6109 1963.3263 120.9525 -205982.2443 17783.7755 0.0000 0.0000 34153.7537 -149108.7277 298.2732 -183262.4814 -149011.7128 299.6848 74.7833 109.4069 557588.7508 3.4649 3.5703 PRESSURE: 3730800 115.024 77.3203 180.825 77.3199 232.877 51.2752 180.825 51.2746 -37.3354 GPRESSURE: 3730800 145.712 -18.0686 169.405 94.7356 228.744 119.303 180.724 -34.1233 33.9884 PRESSAVG: 3730800 6.89147 47.9449 79.2443 47.9449 18.506 -5.20232 79.2443 -5.20227 29.335 GPRESSAVG: 3730800 6.78472 46.8678 78.8924 48.7761 18.5522 -5.41185 76.6255 -6.22489 29.3802 TIMING: 3730800 CPU: 11097.7, 0.00295784/step Wall: 11097.7, 0.00295784/step, 1.0428 hours remaining, 206.601562 MB of memory in use. ENERGY: 3730800 751.5875 2160.7009 1927.5334 110.1640 -206424.2570 18210.4803 0.0000 0.0000 34067.3084 -149196.4826 297.5183 -183263.7909 -149106.5085 299.0636 103.5218 136.1482 557763.7843 18.2442 18.2390 PRESSURE: 3731000 22.2589 -87.065 114.475 -87.064 -101.639 -5.75389 114.477 -5.75464 -128.9 GPRESSURE: 3731000 39.693 4.90896 149.577 -68.4464 -43.6336 -67.2721 27.0375 37.5719 -102.424 PRESSAVG: 3731000 -4.06944 39.3033 54.0299 39.3033 16.1058 8.35214 54.0299 8.35206 -53.7041 GPRESSAVG: 3731000 -4.1957 40.3915 54.6812 39.2189 16.0322 10.0824 56.6585 7.21605 -53.364 TIMING: 3731000 CPU: 11098.3, 0.00295724/step Wall: 11098.3, 0.00295724/step, 1.04243 hours remaining, 206.601562 MB of memory in use. ENERGY: 3731000 753.5097 2141.5401 1965.2745 126.2174 -206063.7969 17851.6195 0.0000 0.0000 34115.8004 -149109.8353 297.9418 -183225.6357 -149019.6059 298.8713 -69.4268 -35.4547 557930.0647 -13.8893 -13.8425 PRESSURE: 3731200 116.612 -142.902 -27.2429 -142.901 135.268 -27.1261 -27.242 -27.1263 -46.5816 GPRESSURE: 3731200 126.637 -152.194 -41.0661 -22.5187 173.696 16.3396 -10.5576 -174.728 6.29691 PRESSAVG: 3731200 20.3999 28.491 2.73185 28.491 43.9395 -0.0592019 2.73187 -0.0591855 -62.2307 GPRESSAVG: 3731200 19.8319 27.3656 2.24202 28.4539 44.7757 -2.22201 0.681822 2.15253 -62.5986 TIMING: 3731200 CPU: 11098.9, 0.00295045/step Wall: 11098.9, 0.00295045/step, 1.03987 hours remaining, 206.601562 MB of memory in use. ENERGY: 3731200 775.6645 2089.3148 1953.1771 108.4604 -206659.2274 18083.4573 0.0000 0.0000 34539.1287 -149110.0246 301.6388 -183649.1533 -149008.9859 299.4412 68.4328 102.2102 557854.9142 0.7029 0.6696 PRESSURE: 3731400 -180.973 223.025 62.2171 223.025 -29.5339 251.925 62.217 251.926 20.2303 GPRESSURE: 3731400 -140.162 207.072 12.2067 215.729 -32.8676 288.492 46.4862 270.631 87.8874 PRESSAVG: 3731400 -41.5224 33.986 20.0832 33.986 6.11598 -1.71908 20.0832 -1.71907 21.3499 GPRESSAVG: 3731400 -40.9307 34.2814 21.18 33.7541 5.22497 -1.4551 19.3131 -1.9187 21.8566 TIMING: 3731400 CPU: 11099.5, 0.00295513/step Wall: 11099.5, 0.00295513/step, 1.04136 hours remaining, 206.601562 MB of memory in use. ENERGY: 3731400 747.5229 2110.4900 1939.4590 117.0323 -205869.3193 17757.5191 0.0000 0.0000 34243.3317 -148953.9644 299.0555 -183197.2962 -148857.6534 299.4231 -63.4255 -28.3809 560485.4760 -4.6855 -4.6164 PRESSURE: 3731600 -67.1438 -137.293 21.4139 -137.293 175.02 -30.1775 21.4136 -30.1767 -27.7246 GPRESSURE: 3731600 -42.2163 -144.075 16.7386 -125.417 233.123 8.17082 23.988 -29.3889 -17.6851 PRESSAVG: 3731600 -34.8641 46.8146 -38.84 46.8145 -7.67221 -27.3063 -38.84 -27.3063 12.689 GPRESSAVG: 3731600 -34.6088 47.903 -40.4011 46.2023 -7.86694 -28.381 -38.6606 -26.8394 12.3772 TIMING: 3731600 CPU: 11100.1, 0.00295212/step Wall: 11100.1, 0.00295212/step, 1.04013 hours remaining, 206.601562 MB of memory in use. ENERGY: 3731600 760.0328 2100.6162 1908.7784 118.1748 -206134.8404 17809.5651 0.0000 0.0000 34377.0052 -149060.6678 300.2229 -183437.6731 -148954.0551 299.8696 26.7171 57.7407 558113.1242 -9.9491 -10.0328 PRESSURE: 3731800 208.888 82.8355 111.281 82.8353 243.67 136.2 111.282 136.201 -66.4083 GPRESSURE: 3731800 220.263 84.74 46.5401 26.4926 317.53 124.252 126.43 156.227 -42.0843 PRESSAVG: 3731800 -34.7993 32.73 27.1621 32.73 17.0852 -5.72985 27.1621 -5.72976 34.1674 GPRESSAVG: 3731800 -34.687 30.7729 27.9986 35.1645 16.9805 -5.69789 27.8373 -5.65235 33.785 TIMING: 3731800 CPU: 11100.7, 0.00296384/step Wall: 11100.7, 0.00296384/step, 1.04409 hours remaining, 206.601562 MB of memory in use. ENERGY: 3731800 728.7401 2114.3427 1978.4538 117.2345 -206498.3441 18035.2936 0.0000 0.0000 34505.2942 -149018.9853 301.3433 -183524.2795 -148925.2367 300.0537 128.7167 165.2362 558011.3802 5.4844 5.3595 PRESSURE: 3732000 -279.168 193.024 81.4109 193.024 139.718 24.7805 81.4105 24.7818 -73.0219 GPRESSURE: 3732000 -203.769 185.139 139.541 156.085 138.056 -7.09659 51.0214 78.5801 -45.6753 PRESSAVG: 3732000 -22.9496 21.4073 48.9186 21.4073 18.9446 3.99494 48.9187 3.99493 34.1449 GPRESSAVG: 3732000 -23.4459 24.1694 49.8967 18.8383 19.9637 5.00094 48.0433 4.06566 33.9814 TIMING: 3732000 CPU: 11101.3, 0.00299831/step Wall: 11101.3, 0.00299831/step, 1.05607 hours remaining, 206.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3732000 756.2820 2131.9611 1939.1199 117.3834 -205960.8797 17770.7215 0.0000 0.0000 34125.0825 -149120.3292 298.0228 -183245.4118 -149024.4658 299.6744 -70.8242 -37.1294 557353.5039 10.0466 10.1664 PRESSURE: 3732200 -142.827 111.417 -77.9352 111.417 137.478 -19.5385 -77.936 -19.5377 31.4227 GPRESSURE: 3732200 -97.1617 151.924 -113.02 56.4508 199.623 -4.61831 -87.9427 -73.5391 27.286 PRESSAVG: 3732200 20.3706 -6.32866 10.9986 -6.32866 -2.2367 13.267 10.9988 13.2671 -4.17546 GPRESSAVG: 3732200 20.5175 -6.639 9.82957 -5.31778 -2.76219 13.45 11.0384 12.7099 -3.71909 TIMING: 3732200 CPU: 11101.9, 0.00299605/step Wall: 11101.9, 0.00299605/step, 1.05511 hours remaining, 206.601562 MB of memory in use. ENERGY: 3732200 766.1196 2129.2405 1926.9391 114.9858 -205989.8430 17817.0294 0.0000 0.0000 34185.5681 -149049.9603 298.5511 -183235.5285 -148946.7093 299.7104 8.6913 43.2492 558721.8530 4.6528 4.6787 LDB: ============= START OF LOAD BALANCING ============== 11105.4 LDB: ============== END OF LOAD BALANCING =============== 11105.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11105.4 LDB: ============= START OF LOAD BALANCING ============== 11105.7 LDB: Largest compute 4802 load 0.024100 is 20.4% of average load 0.118224 LDB: Average compute 0.001728 is 1.5% of average load 0.118224 LDB: TIME 11105.7 LOAD: AVG 0.118224 MAX 0.1969 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.336 MB LDB: TIME 11105.7 LOAD: AVG 0.118224 MAX 0.1969 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.344 MB LDB: TIME 11105.7 LOAD: AVG 0.118224 MAX 0.1969 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.344 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11105.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11105.7 PRESSURE: 3732400 141.462 69.0265 -84.3945 69.0272 -131.688 -5.90287 -84.3948 -5.90328 93.2894 GPRESSURE: 3732400 139.999 73.6936 -112.576 15.2805 -128.194 -134.468 -1.99655 47.9448 201.977 PRESSAVG: 3732400 -22.4987 26.1266 2.68926 26.1265 32.475 -0.211208 2.68922 -0.211358 5.47085 GPRESSAVG: 3732400 -23.1383 25.4333 3.64458 26.1213 32.7544 -0.708545 2.20494 2.31019 5.87331 TIMING: 3732400 CPU: 11102.5, 0.00303506/step Wall: 11102.5, 0.00303506/step, 1.06868 hours remaining, 207.824219 MB of memory in use. ENERGY: 3732400 765.6988 2090.4489 1916.6420 105.4136 -206298.1433 18080.1518 0.0000 0.0000 34173.7431 -149166.0450 298.4478 -183339.7882 -149071.9068 298.7503 34.3544 71.2607 558661.5082 5.1491 5.1631 PRESSURE: 3732600 -110.5 3.348 30.4822 3.34782 -326.056 -175.195 30.4827 -175.195 -278.923 GPRESSURE: 3732600 -90.941 2.48391 -18.6201 15.9251 -292.382 -202.506 27.1378 -138.047 -245.32 PRESSAVG: 3732600 -0.793706 21.4131 -8.55998 21.4131 8.21082 -2.01653 -8.56002 -2.01645 -1.97331 GPRESSAVG: 3732600 -1.07651 21.7706 -8.88072 20.3951 8.09542 -0.169744 -8.99728 -4.88853 -1.90849 TIMING: 3732600 CPU: 11103.1, 0.00298116/step Wall: 11103.1, 0.00298116/step, 1.04953 hours remaining, 208.023438 MB of memory in use. ENERGY: 3732600 769.5821 2140.5669 1906.0402 120.2088 -205591.8896 17354.6108 0.0000 0.0000 34222.4709 -149078.4100 298.8733 -183300.8809 -148979.3706 299.1202 -238.4930 -209.5479 559106.8589 1.8146 1.7035 PRESSURE: 3732800 -171.28 248.375 -59.7777 248.376 162.463 32.2205 -59.7777 32.2216 29.0202 GPRESSURE: 3732800 -142.064 288.15 -93.9213 193.728 178.784 -16.5405 -91.019 59.9521 77.0555 PRESSAVG: 3732800 6.28106 35.1894 -23.4241 35.1895 13.7519 -5.2091 -23.424 -5.20913 -17.456 GPRESSAVG: 3732800 6.41647 33.266 -23.2904 38.1347 13.4444 -5.87388 -23.2202 -4.5563 -17.7341 TIMING: 3732800 CPU: 11103.6, 0.00294428/step Wall: 11103.6, 0.00294428/step, 1.03639 hours remaining, 208.023438 MB of memory in use. ENERGY: 3732800 765.1342 2090.7813 1935.5742 101.8311 -206359.3698 17915.2636 0.0000 0.0000 34379.7044 -149171.0810 300.2465 -183550.7854 -149073.1912 299.8825 6.7343 37.9250 557487.4705 0.8590 0.7089 PRESSURE: 3733000 -345.723 4.68147 69.2008 4.68148 -53.0792 97.3325 69.2009 97.3332 -253.186 GPRESSURE: 3733000 -318.567 16.3827 31.4932 0.0793483 6.59941 108.453 153.835 14.3247 -248.001 PRESSAVG: 3733000 20.1968 58.4794 -9.55207 58.4794 -14.3872 2.38091 -9.55216 2.38105 5.68785 GPRESSAVG: 3733000 19.7052 60.0611 -8.7365 56.6347 -14.7555 0.918437 -8.02454 3.89747 6.60482 TIMING: 3733000 CPU: 11104.2, 0.00295003/step Wall: 11104.2, 0.00295003/step, 1.03825 hours remaining, 208.023438 MB of memory in use. ENERGY: 3733000 732.2478 2101.2581 1931.2728 118.4167 -205617.8869 17522.6352 0.0000 0.0000 34190.3215 -149021.7348 298.5926 -183212.0563 -148923.0676 299.2285 -217.3294 -186.6563 558605.8982 3.8325 3.8515 PRESSURE: 3733200 -235.74 80.5196 -91.2291 80.5207 -120.982 -53.418 -91.2291 -53.4196 -79.3142 GPRESSURE: 3733200 -269.093 107.593 -70.6987 118.536 -84.3023 -27.3458 -67.9292 55.6241 5.80018 PRESSAVG: 3733200 -77.623 -12.5753 34.7841 -12.5753 2.54132 -25.4595 34.7841 -25.4593 17.2696 GPRESSAVG: 3733200 -77.0992 -12.5246 34.6052 -12.4911 1.98013 -23.6231 34.0181 -26.3368 16.9431 TIMING: 3733200 CPU: 11104.8, 0.00294047/step Wall: 11104.8, 0.00294047/step, 1.03472 hours remaining, 208.023438 MB of memory in use. ENERGY: 3733200 742.8015 2095.1642 1946.8423 124.0681 -205617.9153 17589.8197 0.0000 0.0000 34087.2680 -149031.9515 297.6926 -183119.2196 -148932.5709 299.2898 -145.3454 -115.8650 558465.8141 -19.2707 -19.3920 PRESSURE: 3733400 -22.9442 -48.1722 39.3252 -48.1718 -131.113 -73.7294 39.3253 -73.7281 -21.8858 GPRESSURE: 3733400 -30.3502 15.7808 28.1934 -59.1211 -22.4522 -87.9354 2.25905 -46.4604 -35.7283 PRESSAVG: 3733400 -15.3578 -41.5878 29.8063 -41.5877 21.9603 -12.4017 29.8063 -12.4017 12.2864 GPRESSAVG: 3733400 -15.6784 -42.8516 31.1778 -41.9961 23.8839 -12.5552 29.8755 -13.3325 11.2809 TIMING: 3733400 CPU: 11105.4, 0.00295687/step Wall: 11105.4, 0.00295687/step, 1.04033 hours remaining, 208.023438 MB of memory in use. ENERGY: 3733400 758.0777 2089.2560 1977.1141 115.4949 -205688.6026 17474.7611 0.0000 0.0000 34204.8274 -149069.0716 298.7193 -183273.8989 -148971.1956 299.1621 -58.6477 -29.5102 557681.7505 6.2963 6.4955 PRESSURE: 3733600 -354.043 -124.776 -71.4412 -124.776 41.311 37.4262 -71.4416 37.4264 182.104 GPRESSURE: 3733600 -253.967 -138.011 -67.1058 -117.447 3.81416 -43.8338 -89.1951 13.1954 240.124 PRESSAVG: 3733600 1.85056 -40.1544 38.6381 -40.1543 42.5332 43.1105 38.638 43.1106 -21.6191 GPRESSAVG: 3733600 2.88511 -38.4046 37.2552 -39.6854 41.6807 42.0556 39.5834 41.9768 -21.5275 TIMING: 3733600 CPU: 11106, 0.00295014/step Wall: 11106, 0.00295014/step, 1.03779 hours remaining, 208.023438 MB of memory in use. ENERGY: 3733600 732.4125 2124.1504 1941.1266 116.7041 -206120.9536 17762.0913 0.0000 0.0000 34276.1482 -149168.3203 299.3421 -183444.4685 -149070.9417 299.6559 -43.5426 -3.3428 558441.3406 7.5882 7.6794 PRESSURE: 3733800 -72.7511 15.862 -115.634 15.8616 -138.765 -167.305 -115.635 -167.306 -288.785 GPRESSURE: 3733800 -10.2239 9.14249 -14.3046 23.6769 -125.953 -127.578 -121.972 -107.709 -261.645 PRESSAVG: 3733800 15.1598 -14.2073 -23.6144 -14.2074 -48.7402 -16.5313 -23.6144 -16.5314 -6.52569 GPRESSAVG: 3733800 14.7154 -13.4909 -24.3582 -13.8299 -48.8466 -16.9587 -23.621 -16.6376 -6.67887 TIMING: 3733800 CPU: 11106.6, 0.00292962/step Wall: 11106.6, 0.00292962/step, 1.03041 hours remaining, 208.023438 MB of memory in use. ENERGY: 3733800 744.5356 2118.2657 1930.2142 110.2191 -205762.3364 17713.0916 0.0000 0.0000 34171.6145 -148974.3957 298.4292 -183146.0101 -148878.1476 299.7105 -166.7670 -132.6072 559514.4972 -13.3687 -13.6033 PRESSURE: 3734000 49.9893 70.7926 63.9314 70.7933 -101.548 6.28527 63.9315 6.28641 65.5404 GPRESSURE: 3734000 92.7468 59.9521 63.847 28.3497 -65.8626 3.72305 32.2067 34.0585 77.7533 PRESSAVG: 3734000 12.5896 9.19825 -9.1294 9.19823 49.9328 -20.2708 -9.12936 -20.2707 -54.2901 GPRESSAVG: 3734000 13.3587 7.03861 -8.48469 8.86963 49.3225 -19.6827 -10.7859 -19.8537 -54.1787 TIMING: 3734000 CPU: 11107.2, 0.0029529/step Wall: 11107.2, 0.0029529/step, 1.03844 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3734000 766.4850 2114.2463 1956.8244 123.1633 -205986.3552 17721.1459 0.0000 0.0000 34234.5711 -149069.9191 298.9790 -183304.4902 -148972.7787 299.3524 4.6605 34.8792 558212.7186 2.7441 2.8342 PRESSURE: 3734200 -33.425 -101.945 24.4967 -101.944 -110.142 -211.629 24.4975 -211.629 -101.649 GPRESSURE: 3734200 -49.4205 -110.5 -16.5668 -96.814 -75.9452 -256.451 97.2007 -313.123 -37.0103 PRESSAVG: 3734200 49.569 6.28409 -12.8604 6.28418 -25.0702 -88.2832 -12.8604 -88.2832 16.7183 GPRESSAVG: 3734200 49.7779 6.92824 -12.59 5.82734 -24.784 -89.0521 -11.4294 -86.6513 16.2668 TIMING: 3734200 CPU: 11107.8, 0.00295274/step Wall: 11107.8, 0.00295274/step, 1.03822 hours remaining, 208.023438 MB of memory in use. ENERGY: 3734200 767.9428 2085.7374 1929.1759 114.5094 -205481.4318 17544.5003 0.0000 0.0000 33999.2418 -149040.3243 296.9238 -183039.5661 -148946.3140 299.5672 -81.7386 -54.1253 559943.3530 13.7391 13.7536 PRESSURE: 3734400 89.9144 135.121 51.643 135.121 -48.8201 -7.78152 51.6414 -7.78265 -162.721 GPRESSURE: 3734400 131.568 101.49 124.206 176.276 -27.5439 -75.3572 11.5088 28.1702 -134.535 PRESSAVG: 3734400 -13.5418 -12.7736 66.762 -12.7736 -8.92175 -45.8065 66.7621 -45.8065 2.23918 GPRESSAVG: 3734400 -13.4882 -12.3012 65.3482 -11.8257 -9.08318 -45.259 67.3499 -46.3983 2.26181 TIMING: 3734400 CPU: 11108.4, 0.00294805/step Wall: 11108.4, 0.00294804/step, 1.0364 hours remaining, 208.023438 MB of memory in use. ENERGY: 3734400 758.7087 2086.8157 1947.5551 109.1875 -206395.7827 17889.9632 0.0000 0.0000 34278.2724 -149325.2800 299.3607 -183603.5524 -149227.6221 298.9295 -40.5423 -10.1704 559052.5806 -6.7415 -6.7698 PRESSURE: 3734600 139.485 -76.4061 -130.22 -76.4071 76.4348 91.6781 -130.22 91.677 200.088 GPRESSURE: 3734600 117.533 -162.015 -183.953 -24.4344 146.909 46.1434 -137.374 71.9289 238.201 PRESSAVG: 3734600 48.4597 16.0261 41.3451 16.0261 -9.54458 -35.0401 41.345 -35.0402 -29.6687 GPRESSAVG: 3734600 48.3426 14.1837 41.8525 15.0069 -9.9555 -38.4939 38.7722 -33.9734 -28.9399 TIMING: 3734600 CPU: 11108.9, 0.00295467/step Wall: 11108.9, 0.00295467/step, 1.03857 hours remaining, 208.023438 MB of memory in use. ENERGY: 3734600 747.3001 2084.4608 1914.5761 114.7147 -206730.5345 18300.8544 0.0000 0.0000 34352.8934 -149215.7350 300.0124 -183568.6284 -149117.2866 299.1862 138.6692 167.5480 557236.7577 3.0821 3.1491 PRESSURE: 3734800 -32.9793 -77.3189 57.0695 -77.318 152.466 -131.195 57.07 -131.195 226.409 GPRESSURE: 3734800 1.28927 -4.46137 40.0342 -65.3328 179.314 -159.304 52.745 -177.534 260.44 PRESSAVG: 3734800 35.3678 -28.5357 -23.8897 -28.5356 11.2023 -52.5871 -23.8897 -52.587 -49.1795 GPRESSAVG: 3734800 34.5517 -27.1218 -22.9394 -27.8755 12.5291 -50.0079 -22.4256 -55.3739 -50.1755 TIMING: 3734800 CPU: 11109.5, 0.00293741/step Wall: 11109.5, 0.00293741/step, 1.03233 hours remaining, 208.023438 MB of memory in use. ENERGY: 3734800 732.3914 2080.3834 1937.5669 116.3457 -206223.8627 18021.7910 0.0000 0.0000 34099.7701 -149235.6141 297.8018 -183335.3842 -149139.3744 299.5037 115.2986 147.0145 557820.4334 -0.8698 -1.0316 PRESSURE: 3735000 -102.031 -114.465 -91.7615 -114.467 -148.515 31.319 -91.7609 31.3191 63.975 GPRESSURE: 3735000 -57.7547 -143.934 11.9518 -7.34803 -121.975 55.5774 -131.141 51.4857 82.0281 PRESSAVG: 3735000 62.2828 31.4356 -37.7144 31.4356 -24.036 -62.0243 -37.7144 -62.0242 -36.1853 GPRESSAVG: 3735000 61.7645 30.6484 -36.4687 31.2664 -24.1184 -61.7619 -38.7914 -61.274 -35.1151 TIMING: 3735000 CPU: 11110.1, 0.00292869/step Wall: 11110.1, 0.00292869/step, 1.02911 hours remaining, 208.023438 MB of memory in use. ENERGY: 3735000 773.2111 2049.5266 1916.7166 116.8052 -206103.3456 17717.7989 0.0000 0.0000 34283.8855 -149245.4017 299.4097 -183529.2871 -149141.1897 299.2788 -62.1903 -32.5671 557825.2463 0.6872 0.8437 PRESSURE: 3735200 76.6718 3.61215 35.2343 3.6116 34.7011 -99.1816 35.2339 -99.1834 -257.053 GPRESSURE: 3735200 64.2539 44.731 21.9657 1.98721 72.9978 -211.649 29.6353 -108.769 -205.321 PRESSAVG: 3735200 -36.053 -31.9142 -2.30549 -31.9143 59.9448 -61.4654 -2.30559 -61.4653 -11.6237 GPRESSAVG: 3735200 -35.2639 -31.1981 -4.06944 -30.7719 58.7909 -62.6249 -2.20497 -61.8402 -12.1019 TIMING: 3735200 CPU: 11110.7, 0.00293629/step Wall: 11110.7, 0.00293629/step, 1.03162 hours remaining, 208.023438 MB of memory in use. ENERGY: 3735200 705.8862 2097.7058 1945.5665 109.2952 -206492.2378 17842.2332 0.0000 0.0000 34385.4317 -149406.1193 300.2965 -183791.5509 -149308.7463 298.6492 -48.5600 -22.6899 557909.4826 4.0894 3.8084 PRESSURE: 3735400 -21.0417 -82.003 -204.566 -82.0022 -124.022 -169.236 -204.567 -169.236 20.1805 GPRESSURE: 3735400 18.2566 -27.3215 -227.375 -84.1942 -67.2258 -173.617 -182.491 -205.924 32.0476 PRESSAVG: 3735400 -0.589505 29.9276 7.66977 29.9276 12.628 2.93735 7.66983 2.93745 -19.1929 GPRESSAVG: 3735400 -0.422088 30.5395 7.01199 26.884 12.8653 3.62948 10.031 5.99816 -19.7506 TIMING: 3735400 CPU: 11111.3, 0.00293042/step Wall: 11111.3, 0.00293042/step, 1.02939 hours remaining, 208.023438 MB of memory in use. ENERGY: 3735400 783.9093 2080.9008 1974.5858 116.3128 -206240.8521 17910.7750 0.0000 0.0000 34066.2025 -149308.1659 297.5086 -183374.3684 -149216.2945 299.2038 -41.6279 -5.6405 559069.3401 -2.3848 -2.4358 PRESSURE: 3735600 -238.86 2.15982 128.677 2.15976 -48.6157 85.4513 128.676 85.4518 -24.5624 GPRESSURE: 3735600 -164.818 75.4739 43.262 -34.2314 -2.69327 169.053 167.576 47.988 -50.2347 PRESSAVG: 3735600 15.9978 0.615284 -17.5819 0.615268 -4.85736 -58.9066 -17.5818 -58.9067 0.526193 GPRESSAVG: 3735600 15.4027 1.35661 -17.0304 2.26562 -4.79201 -60.3554 -17.8383 -60.1736 0.817022 TIMING: 3735600 CPU: 11111.9, 0.00296317/step Wall: 11111.9, 0.00296317/step, 1.04073 hours remaining, 208.023438 MB of memory in use. ENERGY: 3735600 776.1924 2125.3637 1911.4781 110.2249 -206408.8854 17809.6193 0.0000 0.0000 34176.6757 -149499.3313 298.4734 -183676.0070 -149405.7197 298.7908 -104.0128 -72.5819 558312.6764 3.8889 3.8092 PRESSURE: 3735800 394.7 88.9356 19.5293 88.9365 -261.896 47.664 19.5279 47.6638 339.943 GPRESSURE: 3735800 400.324 74.0674 -8.44996 6.45782 -195.891 -54.0801 -22.8615 103.475 349.143 PRESSAVG: 3735800 2.02117 29.028 6.63964 29.0279 -20.7927 -27.6763 6.63957 -27.6763 -16.6472 GPRESSAVG: 3735800 1.53513 27.7829 6.27248 27.3008 -19.3527 -27.8613 5.91051 -28.3277 -17.4946 TIMING: 3735800 CPU: 11112.5, 0.00292739/step Wall: 11112.5, 0.00292739/step, 1.028 hours remaining, 208.023438 MB of memory in use. ENERGY: 3735800 734.7882 2094.5453 1935.7696 130.8611 -206859.7913 18115.1727 0.0000 0.0000 34256.7308 -149591.9236 299.1726 -183848.6544 -149500.4985 297.9645 157.5825 184.5256 556939.9066 -11.8062 -11.7707 PRESSURE: 3736000 96.0736 155.858 -164.496 155.858 31.2289 -59.5622 -164.496 -59.5619 -24.791 GPRESSURE: 3736000 85.6442 183.018 -210.102 104.575 79.6393 -90.9069 -119.506 4.81219 35.8887 PRESSAVG: 3736000 28.4747 44.6965 15.2024 44.6965 15.1901 -16.2635 15.2023 -16.2635 -51.0839 GPRESSAVG: 3736000 27.4342 44.7246 14.0863 44.6154 15.5182 -15.5122 13.9774 -15.7418 -50.8876 TIMING: 3736000 CPU: 11113.1, 0.00294677/step Wall: 11113.1, 0.00294677/step, 1.03464 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3736000 761.3141 2076.2363 1924.7733 120.5553 -206477.9054 18012.6160 0.0000 0.0000 34069.5196 -149512.8908 297.5376 -183582.4104 -149416.7495 298.7656 34.1705 67.0574 557771.8493 -2.4730 -2.6451 PRESSURE: 3736200 -199.093 4.05767 43.1428 4.05795 -126.858 128.312 43.142 128.313 -100.025 GPRESSURE: 3736200 -127.951 61.8102 21.9736 -55.5611 -77.2476 123.974 62.9613 168.848 -115.962 PRESSAVG: 3736200 -65.3566 52.8083 -9.56542 52.8082 64.2401 -52.859 -9.56553 -52.859 3.65824 GPRESSAVG: 3736200 -64.9374 53.5602 -8.08575 53.9776 63.4399 -53.6294 -9.64769 -53.5538 3.92679 TIMING: 3736200 CPU: 11113.7, 0.00294108/step Wall: 11113.7, 0.00294108/step, 1.03248 hours remaining, 208.023438 MB of memory in use. ENERGY: 3736200 757.7719 2138.1649 1966.1731 109.0433 -206603.8755 17759.8673 0.0000 0.0000 34099.4821 -149773.3730 297.7993 -183872.8551 -149684.9629 297.3724 -141.9921 -107.0534 557650.4999 0.8472 0.8098 LDB: ============= START OF LOAD BALANCING ============== 11117.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11117.2 LDB: =============== DONE WITH MIGRATION ================ 11117.2 LDB: ============= START OF LOAD BALANCING ============== 11117.5 LDB: Largest compute 4796 load 0.023692 is 20.0% of average load 0.118300 LDB: Average compute 0.001730 is 1.5% of average load 0.118300 LDB: TIME 11117.5 LOAD: AVG 0.1183 MAX 0.197286 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.055 MB LDB: TIME 11117.5 LOAD: AVG 0.1183 MAX 0.197286 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.258 MB LDB: TIME 11117.5 LOAD: AVG 0.1183 MAX 0.197286 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.258 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11117.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11117.5 PRESSURE: 3736400 -244.111 59.7672 -29.7002 59.7673 81.8508 -135.233 -29.7013 -135.234 -78.243 GPRESSURE: 3736400 -167.034 14.5091 -55.5926 90.6619 140.562 -62.9071 -92.7545 -113.328 -119.48 PRESSAVG: 3736400 -36.9899 1.01725 8.61413 1.01733 34.7691 -26.8129 8.61411 -26.813 -9.25007 GPRESSAVG: 3736400 -36.1558 0.363287 8.16957 0.621604 34.7764 -25.9714 8.52773 -26.3259 -9.71778 TIMING: 3736400 CPU: 11114.3, 0.00302751/step Wall: 11114.3, 0.00302751/step, 1.06266 hours remaining, 207.492188 MB of memory in use. ENERGY: 3736400 761.8092 2131.8105 1948.5624 103.2398 -206616.8198 18053.9521 0.0000 0.0000 34117.7387 -149499.7070 297.9587 -183617.4457 -149400.8112 297.8643 -80.1678 -48.6505 558475.2596 -3.8236 -3.6991 PRESSURE: 3736600 46.0705 -58.2463 53.1641 -58.2476 -335.835 -63.6743 53.1641 -63.6742 1.41605 GPRESSURE: 3736600 34.5554 -22.4038 53.0068 -97.9269 -300.195 -34.9593 15.7466 -119.633 69.7511 PRESSAVG: 3736600 -25.7403 0.573561 -21.0233 0.573502 20.5801 33.0804 -21.0233 33.0804 -12.5438 GPRESSAVG: 3736600 -26.4218 1.27327 -21.4418 1.506 21.6604 32.3862 -21.0516 32.4193 -12.5551 TIMING: 3736600 CPU: 11114.8, 0.00295864/step Wall: 11114.8, 0.00295864/step, 1.03832 hours remaining, 207.695312 MB of memory in use. ENERGY: 3736600 754.2729 2029.4874 1972.6730 118.9503 -206105.8932 17595.3682 0.0000 0.0000 34145.7702 -149489.3712 298.2035 -183635.1414 -149391.7375 298.4568 -96.1161 -65.2962 558025.7699 -5.9013 -5.7722 PRESSURE: 3736800 56.5115 78.9293 -53.8148 78.928 18.8291 196.952 -53.8155 196.954 236.126 GPRESSURE: 3736800 120.652 69.9097 -92.572 -51.9206 5.50359 214.409 -66.7377 260.861 291.223 PRESSAVG: 3736800 -4.18601 7.90683 -58.4918 7.9068 8.93971 0.0103158 -58.4917 0.0102846 -11.195 GPRESSAVG: 3736800 -4.27317 8.01972 -57.3972 7.10355 8.04074 0.886912 -58.4753 -0.599913 -10.1834 TIMING: 3736800 CPU: 11115.4, 0.00291988/step Wall: 11115.4, 0.00291988/step, 1.02455 hours remaining, 207.695312 MB of memory in use. ENERGY: 3736800 719.0847 2086.8458 1939.0141 118.5554 -206569.3047 17952.4184 0.0000 0.0000 34339.2631 -149414.1232 299.8933 -183753.3863 -149325.5930 298.6790 103.8223 139.1261 557367.9571 -2.1471 -2.1386 PRESSURE: 3737000 154.67 -92.7765 -194.914 -92.7762 143.915 -37.4239 -194.912 -37.423 -209.684 GPRESSURE: 3737000 230.324 49.7787 -177.734 -201.187 135.877 -6.57905 -165.56 -115.861 -176.125 PRESSAVG: 3737000 -23.4428 -29.0508 -33.3301 -29.0508 -14.6167 42.8898 -33.33 42.8896 17.766 GPRESSAVG: 3737000 -22.9178 -27.4163 -33.4672 -31.7951 -15.007 43.3358 -33.1877 41.1785 17.1875 TIMING: 3737000 CPU: 11116, 0.00293569/step Wall: 11116, 0.00293569/step, 1.02994 hours remaining, 207.695312 MB of memory in use. ENERGY: 3737000 723.5990 2152.1974 1930.2355 111.9620 -206347.8950 17787.9345 0.0000 0.0000 34121.5921 -149520.3746 297.9924 -183641.9667 -149420.1641 298.8132 29.6339 63.3586 557996.4010 -6.7645 -6.9124 PRESSURE: 3737200 55.7522 47.9229 -24.9691 47.9241 -23.2135 -117.059 -24.9678 -117.059 25.8225 GPRESSURE: 3737200 82.0764 96.9841 -49.4643 -17.729 -3.37564 -46.7904 10.9358 -152.869 78.8624 PRESSAVG: 3737200 10.6818 -15.7255 23.7978 -15.7255 21.3682 -72.3008 23.7978 -72.3007 -36.9475 GPRESSAVG: 3737200 10.3613 -18.5705 23.6158 -12.511 22.1994 -74.3135 26.0324 -69.0879 -37.1141 TIMING: 3737200 CPU: 11116.6, 0.00292832/step Wall: 11116.6, 0.00292832/step, 1.02719 hours remaining, 207.695312 MB of memory in use. ENERGY: 3737200 720.0842 2037.4593 1961.3484 122.7892 -206493.3461 17858.2218 0.0000 0.0000 34162.7583 -149630.6848 298.3519 -183793.4431 -149523.9244 297.6374 19.4537 52.5211 558767.3570 -1.6325 -1.5178 PRESSURE: 3737400 165.043 -59.0588 116.264 -59.0585 91.0518 -52.207 116.264 -52.2086 -0.411737 GPRESSURE: 3737400 203.223 -108.562 114.909 -60.8353 95.3244 -101.771 199.489 -57.2725 50.9392 PRESSAVG: 3737400 48.0253 -18.3265 9.9268 -18.3265 -23.3081 -16.0724 9.92679 -16.0724 -5.18494 GPRESSAVG: 3737400 47.5438 -17.6154 9.71217 -17.2292 -22.2837 -15.2378 8.77025 -19.6255 -5.41146 TIMING: 3737400 CPU: 11117.2, 0.00294319/step Wall: 11117.2, 0.00294319/step, 1.03224 hours remaining, 207.695312 MB of memory in use. ENERGY: 3737400 732.2612 2111.8561 1960.5768 122.8538 -206801.7043 18185.1030 0.0000 0.0000 33985.3802 -149703.6731 296.8028 -183689.0533 -149609.4332 297.5152 85.2277 116.4954 557759.9572 6.5108 6.6162 PRESSURE: 3737600 85.4367 42.0541 57.0812 42.0543 -142.717 -64.6799 57.0818 -64.6786 -131.982 GPRESSURE: 3737600 134.435 -24.8973 -24.4313 59.1322 -98.0774 -36.0084 102.949 -63.1831 -128.663 PRESSAVG: 3737600 -26.9478 6.12059 15.9952 6.12065 -34.7267 -25.5594 15.9953 -25.5593 28.4979 GPRESSAVG: 3737600 -27.1517 8.07236 15.3075 5.21786 -35.9164 -25.8071 14.5396 -22.1088 29.2852 TIMING: 3737600 CPU: 11117.8, 0.00294241/step Wall: 11117.8, 0.00294241/step, 1.0318 hours remaining, 207.695312 MB of memory in use. ENERGY: 3737600 747.2912 2089.2396 1927.6350 113.9165 -206445.0299 17869.2798 0.0000 0.0000 34179.4898 -149518.1779 298.4980 -183697.6677 -149421.0493 297.9290 -63.0874 -30.7683 558155.2057 -11.0589 -11.2610 PRESSURE: 3737800 -137.932 -265.128 25.9137 -265.127 325.87 -13.222 25.9136 -13.2209 193.819 GPRESSURE: 3737800 -121.569 -265.653 7.22675 -254.299 386.668 -12.2175 -6.65949 -86.7597 209.418 PRESSAVG: 3737800 -13.0231 -19.359 -18.2523 -19.3589 58.0523 -58.5948 -18.2523 -58.5948 -4.742 GPRESSAVG: 3737800 -12.8373 -19.3031 -15.9348 -20.5761 58.8854 -58.2038 -19.3236 -61.0806 -5.83947 TIMING: 3737800 CPU: 11118.4, 0.00294432/step Wall: 11118.4, 0.00294432/step, 1.03231 hours remaining, 207.695312 MB of memory in use. ENERGY: 3737800 710.3851 2149.8868 1913.9454 114.5078 -206690.5668 18156.7551 0.0000 0.0000 34250.5162 -149394.5704 299.1183 -183645.0866 -149293.6218 298.8033 127.2522 158.1722 558402.2090 13.4290 13.4029 PRESSURE: 3738000 182.416 -193.101 26.7494 -193.099 87.3535 94.6541 26.7482 94.652 117.711 GPRESSURE: 3738000 177.181 -164.463 60.9868 -191.078 129.854 111.803 -22.8172 70.7072 172.397 PRESSAVG: 3738000 -47.2521 -70.4739 -2.80043 -70.4739 28.8339 19.3547 -2.80044 19.3547 34.5801 GPRESSAVG: 3738000 -46.8665 -71.2147 -3.16672 -69.7246 28.5787 19.8501 -2.29644 21.2208 34.6358 TIMING: 3738000 CPU: 11119, 0.00294131/step Wall: 11119, 0.00294131/step, 1.03109 hours remaining, 207.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3738000 711.3178 2104.6537 1945.3243 108.6385 -206799.2696 18210.3817 0.0000 0.0000 34221.2081 -149497.7455 298.8623 -183718.9536 -149407.7401 299.2569 129.1601 159.8107 558611.0160 5.3873 5.4493 PRESSURE: 3738200 -159.191 -135.849 86.4655 -135.849 358.016 34.164 86.4655 34.1646 -250.771 GPRESSURE: 3738200 -78.2846 -156.56 91.645 -106.677 357.529 -13.8129 118.898 50.0978 -236 PRESSAVG: 3738200 -92.8405 -44.4553 25.5682 -44.4554 52.365 40.0968 25.5682 40.0968 41.3331 GPRESSAVG: 3738200 -92.6479 -46.031 25.895 -42.6223 52.203 37.4276 27.4814 40.6428 41.22 TIMING: 3738200 CPU: 11119.5, 0.00294421/step Wall: 11119.5, 0.00294421/step, 1.03194 hours remaining, 207.695312 MB of memory in use. ENERGY: 3738200 747.9034 2075.1479 1939.0740 107.6256 -206442.7279 17966.7504 0.0000 0.0000 34237.5885 -149368.6380 299.0054 -183606.2265 -149267.8667 298.4005 -17.3153 14.4147 558662.8645 0.2859 0.2584 PRESSURE: 3738400 243.431 -157.22 -41.8655 -157.219 253.332 -41.8694 -41.8651 -41.8696 -74.4779 GPRESSURE: 3738400 205.261 -170.584 -53.6255 -107.126 320.658 -120.735 -114.125 -59.646 -17.6362 PRESSAVG: 3738400 7.69866 -52.166 -16.3691 -52.1661 34.3434 44.5498 -16.3691 44.5497 -69.2042 GPRESSAVG: 3738400 6.78219 -50.774 -17.3718 -54.9902 33.6043 45.5487 -15.7214 41.2283 -67.6544 TIMING: 3738400 CPU: 11120.1, 0.00295286/step Wall: 11120.1, 0.00295286/step, 1.03481 hours remaining, 207.695312 MB of memory in use. ENERGY: 3738400 746.9695 2097.7297 1939.0011 107.7542 -206870.7554 18173.6365 0.0000 0.0000 34330.2372 -149475.4271 299.8145 -183805.6643 -149380.6783 298.2037 140.7616 169.4277 558973.7410 -9.0541 -9.0893 PRESSURE: 3738600 206.575 -30.2284 -69.648 -30.2291 406.918 30.2029 -69.6474 30.2028 48.5908 GPRESSURE: 3738600 224.53 95.4469 -45.6714 -86.2909 455.23 9.73324 -24.735 29.7994 78.745 PRESSAVG: 3738600 -18.9244 -20.6973 12.8783 -20.6973 8.7925 -73.2989 12.8782 -73.2989 23.1544 GPRESSAVG: 3738600 -19.2903 -19.3918 14.7019 -19.6207 10.0041 -71.3316 9.67946 -72.4475 22.4838 TIMING: 3738600 CPU: 11120.7, 0.00297371/step Wall: 11120.7, 0.0029737/step, 1.04195 hours remaining, 207.695312 MB of memory in use. ENERGY: 3738600 747.5885 2032.4787 1962.3630 119.9094 -207321.9932 18528.3467 0.0000 0.0000 34340.7394 -149590.5675 299.9062 -183931.3069 -149497.1606 298.4566 220.6948 252.8350 558105.9979 4.3408 4.3992 PRESSURE: 3738800 119.234 106.043 159.806 106.043 -103.32 60.4202 159.805 60.4201 28.4624 GPRESSURE: 3738800 130.188 130.105 50.1241 16.8489 -69.9663 -8.7938 262.183 31.1369 80.1087 PRESSAVG: 3738800 5.80046 -14.4822 -2.38374 -14.4822 -8.05604 39.4092 -2.38375 39.4092 9.76177 GPRESSAVG: 3738800 6.68647 -16.186 -5.19416 -15.6946 -9.2065 37.6968 1.58479 40.806 9.61983 TIMING: 3738800 CPU: 11121.3, 0.00297063/step Wall: 11121.3, 0.00297063/step, 1.04071 hours remaining, 207.695312 MB of memory in use. ENERGY: 3738800 731.3056 2077.7742 1949.0137 116.3270 -206588.8968 17983.0624 0.0000 0.0000 34104.1913 -149627.2226 297.8404 -183731.4138 -149524.8291 298.2563 14.7922 46.7768 558630.0732 2.5021 2.3666 PRESSURE: 3739000 -89.9256 110.426 145.317 110.426 -269.962 -37.8467 145.317 -37.8484 352.133 GPRESSURE: 3739000 -41.1196 175.647 110.041 1.85932 -225.337 -57.8736 151.957 36.836 368.933 PRESSAVG: 3739000 -33.5513 13.2563 62.4983 13.2564 -21.3929 -7.77982 62.4983 -7.77983 51.5827 GPRESSAVG: 3739000 -34.4472 13.4709 62.8461 13.5424 -20.9134 -7.61433 61.9326 -8.95637 52.04 TIMING: 3739000 CPU: 11121.9, 0.00295056/step Wall: 11121.9, 0.00295056/step, 1.03351 hours remaining, 207.695312 MB of memory in use. ENERGY: 3739000 713.7881 2098.9502 1923.1318 117.6235 -206337.0330 17740.5761 0.0000 0.0000 34315.9013 -149427.0621 299.6893 -183742.9634 -149337.5528 297.7546 -2.5848 34.1588 559566.5514 -1.1205 -1.1069 PRESSURE: 3739200 -80.8811 -17.7957 3.96016 -17.7959 162.675 32.4282 3.95986 32.4282 -334.605 GPRESSURE: 3739200 -21.5648 -28.633 23.9344 -10.5065 196.797 -57.9897 15.7934 126.495 -321.655 PRESSAVG: 3739200 0.930449 17.7348 -31.0298 17.7348 -16.3926 -45.0798 -31.0297 -45.0799 13.7875 GPRESSAVG: 3739200 1.93381 18.7996 -30.0492 17.3496 -16.6568 -45.0747 -32.7752 -42.9407 12.9984 TIMING: 3739200 CPU: 11122.5, 0.00300647/step Wall: 11122.5, 0.00300647/step, 1.05293 hours remaining, 207.695312 MB of memory in use. ENERGY: 3739200 742.3441 2088.6646 1965.4494 121.5071 -206411.8381 17789.4988 0.0000 0.0000 34148.8709 -149555.5032 298.2306 -183704.3740 -149460.8895 298.2485 -84.2707 -48.8076 556779.3164 -0.5582 -0.5749 PRESSURE: 3739400 24.1952 4.44914 -221.236 4.44905 -141.309 10.8121 -221.238 10.8123 30.8211 GPRESSURE: 3739400 31.2162 26.8781 -243.961 7.94591 -38.959 -5.24417 -85.633 -46.7386 16.7555 PRESSAVG: 3739400 -16.5431 1.34897 -18.4143 1.34895 14.087 25.7238 -18.4143 25.7238 -33.0184 GPRESSAVG: 3739400 -17.0793 0.988975 -17.7227 1.95439 15.6879 26.1108 -17.4295 23.8117 -33.7558 TIMING: 3739400 CPU: 11123.1, 0.00298793/step Wall: 11123.1, 0.00298793/step, 1.04627 hours remaining, 207.695312 MB of memory in use. ENERGY: 3739400 733.2179 2038.3515 1963.6853 110.2854 -206289.7721 17884.3163 0.0000 0.0000 33832.2646 -149727.6510 295.4656 -183559.9156 -149631.5546 297.9653 -28.7644 3.0042 556676.9685 -11.8249 -11.7157 PRESSURE: 3739600 43.4998 96.7115 20.3056 96.7102 -267.425 -221.139 20.3061 -221.139 -257.979 GPRESSURE: 3739600 130.4 72.7595 68.5196 129.381 -284.248 -212.226 -46.0433 -197.114 -216.515 PRESSAVG: 3739600 32.0562 -42.1305 -11.9832 -42.1305 -41.0061 7.50557 -11.983 7.50555 15.7937 GPRESSAVG: 3739600 32.5597 -41.0423 -12.6768 -40.7627 -43.2021 5.68929 -11.8146 9.47644 16.9449 TIMING: 3739600 CPU: 11123.7, 0.00297786/step Wall: 11123.7, 0.00297786/step, 1.04258 hours remaining, 207.695312 MB of memory in use. ENERGY: 3739600 738.4610 2034.6289 1995.2252 124.2914 -206252.0677 17725.3171 0.0000 0.0000 34064.9829 -149569.1612 297.4980 -183634.1441 -149476.7018 297.2587 -160.6345 -123.4545 557336.2735 2.2812 2.1008 PRESSURE: 3739800 -180.591 -25.5026 -113.986 -25.5024 -106.592 -226.027 -113.987 -226.028 -20.3146 GPRESSURE: 3739800 -136.363 -7.85423 -32.4489 -24.7287 -113.93 -153.419 -123.015 -258.009 60.858 PRESSAVG: 3739800 21.9462 24.8087 4.68809 24.8087 -2.31292 -20.0461 4.68808 -20.0461 -30.3208 GPRESSAVG: 3739800 21.8163 23.9464 6.2103 23.8543 -1.99243 -17.3042 4.68859 -21.4788 -29.9521 TIMING: 3739800 CPU: 11124.3, 0.00293848/step Wall: 11124.3, 0.00293848/step, 1.02863 hours remaining, 207.695312 MB of memory in use. ENERGY: 3739800 767.6109 2086.8355 1943.5222 121.1403 -206025.8316 17581.7528 0.0000 0.0000 34104.7212 -149420.2487 297.8450 -183524.9699 -149324.1768 298.1880 -102.4993 -63.1450 556647.6339 -3.5625 -3.3761 PRESSURE: 3740000 -96.3686 -136.461 -106.607 -136.461 143.575 33.809 -106.607 33.8093 109.732 GPRESSURE: 3740000 -6.6699 -169.482 -24.6085 -34.3401 159.64 70.4353 -139.485 62.2327 108.998 PRESSAVG: 3740000 -40.7128 -10.5863 -13.4109 -10.5864 -1.43397 -6.66188 -13.4109 -6.66165 46.4852 GPRESSAVG: 3740000 -40.5434 -12.5871 -14.1286 -9.39441 -1.4947 -10.4343 -13.6093 -4.49817 46.8873 TIMING: 3740000 CPU: 11124.9, 0.0029325/step Wall: 11124.9, 0.0029325/step, 1.02637 hours remaining, 207.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3740000 765.4206 2158.9727 1953.2132 114.7563 -206295.4723 17708.1452 0.0000 0.0000 34266.6775 -149328.2867 299.2594 -183594.9642 -149237.0552 298.6971 52.3128 87.3227 555393.5639 1.4462 1.6164 PRESSURE: 3740200 132.493 -89.4003 19.3661 -89.3998 108.108 38.3186 19.3663 38.3172 11.0148 GPRESSURE: 3740200 162.086 16.4436 41.8779 -105.565 136.607 10.5576 27.1959 85.6487 44.2364 PRESSAVG: 3740200 -31.0841 11.7896 -34.8066 11.7896 74.875 34.4381 -34.8067 34.4381 -37.2146 GPRESSAVG: 3740200 -31.1863 14.1263 -33.9606 11.2536 74.7833 37.6812 -34.5335 31.5632 -37.1162 TIMING: 3740200 CPU: 11125.5, 0.00293028/step Wall: 11125.5, 0.00293028/step, 1.02544 hours remaining, 207.695312 MB of memory in use. ENERGY: 3740200 752.5482 2157.0348 1969.8623 124.7700 -206272.0231 17893.7439 0.0000 0.0000 34138.7437 -149235.3202 298.1421 -183374.0639 -149137.6499 299.4832 83.8719 114.3098 556194.4389 2.1921 2.1602 LDB: ============= START OF LOAD BALANCING ============== 11129 LDB: ============== END OF LOAD BALANCING =============== 11129 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11129 LDB: ============= START OF LOAD BALANCING ============== 11129.3 LDB: Largest compute 4802 load 0.024552 is 20.8% of average load 0.118282 LDB: Average compute 0.001732 is 1.5% of average load 0.118282 LDB: TIME 11129.3 LOAD: AVG 0.118282 MAX 0.19776 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.43 MB LDB: TIME 11129.3 LOAD: AVG 0.118282 MAX 0.19776 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.633 MB LDB: TIME 11129.3 LOAD: AVG 0.118282 MAX 0.19776 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.633 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11129.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11129.3 PRESSURE: 3740400 -229.927 -88.3038 170.466 -88.3045 32.2852 20.1816 170.465 20.182 44.2614 GPRESSURE: 3740400 -171.737 -117.928 168.532 -30.2386 47.8712 -46.7188 188.741 63.3719 63.4304 PRESSAVG: 3740400 6.4886 12.4302 -11.2794 12.4302 15.4308 41.9783 -11.2793 41.9783 27.8913 GPRESSAVG: 3740400 4.60166 10.9185 -13.3172 10.6704 16.5177 41.0609 -8.71463 41.2832 28.3587 TIMING: 3740400 CPU: 11126.1, 0.00298877/step Wall: 11126.1, 0.00298877/step, 1.04574 hours remaining, 208.132812 MB of memory in use. ENERGY: 3740400 728.5070 2145.5292 1936.5398 108.7119 -206331.4921 17846.4839 0.0000 0.0000 34405.5207 -149160.1996 300.4720 -183565.7203 -149066.6310 299.2686 -51.1268 -20.1451 555683.2807 16.6036 16.4927 PRESSURE: 3740600 -216.017 31.2022 -73.2996 31.2018 -373.892 -22.2742 -73.2995 -22.2729 -332.556 GPRESSURE: 3740600 -169.725 100.12 -122.961 -64.5895 -325.197 -7.35856 22.7558 2.51262 -319.14 PRESSAVG: 3740600 -51.9672 50.3361 12.6257 50.336 5.38924 23.2564 12.6258 23.2565 36.8027 GPRESSAVG: 3740600 -51.4486 49.364 12.0867 52.8826 4.99025 23.3126 12.6161 23.9551 36.645 TIMING: 3740600 CPU: 11126.7, 0.00292776/step Wall: 11126.7, 0.00292776/step, 1.02423 hours remaining, 208.335938 MB of memory in use. ENERGY: 3740600 726.5620 2090.4083 1971.7170 112.8857 -205607.3539 17272.3172 0.0000 0.0000 34218.3544 -149215.1093 298.8374 -183433.4637 -149118.8930 299.4201 -307.4879 -271.3540 556285.9732 -3.2584 -3.2711 PRESSURE: 3740800 135.79 19.1988 -144.201 19.1985 -26.67 -57.4062 -144.2 -57.407 -84.0943 GPRESSURE: 3740800 120.681 -13.8951 -199.755 41.1956 -3.25014 -57.7584 -80.4275 -112.335 14.6446 PRESSAVG: 3740800 -48.9239 -16.3943 -62.8443 -16.3943 20.0414 -10.3084 -62.8444 -10.3084 55.3536 GPRESSAVG: 3740800 -47.5475 -15.8769 -61.2956 -16.7873 19.6031 -8.88447 -64.8232 -10.1001 54.6907 TIMING: 3740800 CPU: 11127.2, 0.00295294/step Wall: 11127.2, 0.00295294/step, 1.03287 hours remaining, 208.335938 MB of memory in use. ENERGY: 3740800 737.3613 2117.3525 1929.7454 124.6765 -205891.6695 17671.4617 0.0000 0.0000 34143.3040 -149167.7682 298.1820 -183311.0722 -149077.2166 299.1980 8.3419 44.0253 557854.5943 8.8237 8.9154 PRESSURE: 3741000 2.13884 91.9398 36.6623 91.9388 14.8199 161.893 36.6635 161.893 32.1682 GPRESSURE: 3741000 51.822 61.0466 57.5067 86.5398 49.6032 88.7406 -0.645047 216.661 43.8586 PRESSAVG: 3741000 -17.6368 -71.0202 -33.3966 -71.0202 -30.2063 11.0741 -33.3965 11.0741 38.7177 GPRESSAVG: 3741000 -19.0256 -68.7239 -33.1498 -72.7998 -29.3092 10.6697 -34.4736 8.43097 39.1916 TIMING: 3741000 CPU: 11127.8, 0.00295032/step Wall: 11127.8, 0.00295031/step, 1.03179 hours remaining, 208.335938 MB of memory in use. ENERGY: 3741000 740.4359 2100.2814 1949.7845 107.3274 -205968.7896 17685.9544 0.0000 0.0000 34286.0705 -149098.9356 299.4288 -183385.0061 -149007.3452 299.6826 16.3757 48.4279 557351.7270 -3.0418 -3.0478 PRESSURE: 3741200 6.52428 -17.5845 -40.2659 -17.5856 -1.09808 63.3449 -40.2663 63.3441 -161.732 GPRESSURE: 3741200 25.3254 51.796 -76.1217 -80.3938 34.6477 36.9478 -60.5976 132.092 -127.775 PRESSAVG: 3741200 11.3461 8.47854 -26.2108 8.47852 15.3779 35.902 -26.2108 35.9019 -18.7086 GPRESSAVG: 3741200 12.847 8.01449 -27.1897 6.22037 15.9553 35.4395 -25.3505 38.5016 -20.8581 TIMING: 3741200 CPU: 11128.4, 0.0029297/step Wall: 11128.4, 0.0029297/step, 1.02442 hours remaining, 208.335938 MB of memory in use. ENERGY: 3741200 739.8313 2113.4082 1964.3665 115.8654 -205885.4140 17551.1196 0.0000 0.0000 34312.8767 -149087.9463 299.6629 -183400.8229 -148986.3556 299.9570 -52.1019 -22.6006 558337.3218 2.6718 2.6481 PRESSURE: 3741400 11.5924 -5.32119 -245.556 -5.32153 -124.982 103.654 -245.556 103.654 52.1189 GPRESSURE: 3741400 66.1249 -127.008 -326.724 50.6427 -100.661 175.967 -231.722 22.5572 60.6865 PRESSAVG: 3741400 43.3222 -13.312 -58.2193 -13.312 15.8573 12.1382 -58.2193 12.1382 8.44932 GPRESSAVG: 3741400 41.4766 -14.5813 -58.4137 -10.4819 15.5677 12.9424 -57.161 10.835 11.045 TIMING: 3741400 CPU: 11129, 0.00296047/step Wall: 11129, 0.00296047/step, 1.03501 hours remaining, 208.335938 MB of memory in use. ENERGY: 3741400 756.2071 2089.0663 1956.4063 113.9204 -206521.9636 17856.9413 0.0000 0.0000 34386.6337 -149362.7885 300.3070 -183749.4223 -149263.8923 299.4262 -20.4236 8.7168 556548.5222 22.5429 22.6964 PRESSURE: 3741600 -58.7354 -85.746 47.2924 -85.7467 130.36 -177.886 47.2925 -177.884 -173.185 GPRESSURE: 3741600 -56.6354 -70.7099 23.0972 -137.799 146.148 -195.508 47.7242 -193.342 -85.475 PRESSAVG: 3741600 12.255 -13.2983 -39.2024 -13.2983 50.9455 -3.05613 -39.2024 -3.05605 -38.5067 GPRESSAVG: 3741600 13.7395 -14.4178 -38.8707 -11.6446 48.9664 -4.13575 -40.1312 -3.38909 -38.2944 TIMING: 3741600 CPU: 11129.6, 0.00297703/step Wall: 11129.6, 0.00297703/step, 1.04064 hours remaining, 208.335938 MB of memory in use. ENERGY: 3741600 721.9684 2132.0976 1937.1096 119.5231 -205908.3817 17584.6854 0.0000 0.0000 34207.3579 -149205.6397 298.7414 -183412.9976 -149102.7695 298.5678 -33.8535 1.3460 556599.1607 8.2313 8.1372 PRESSURE: 3741800 -151.094 155.973 -67.5285 155.973 107.606 27.5096 -67.5279 27.5099 11.1939 GPRESSURE: 3741800 -71.758 154.363 -157.767 195.383 132.19 14.5013 11.8645 6.21346 5.29548 PRESSAVG: 3741800 14.2217 -52.8432 16.5363 -52.8432 20.0078 11.7129 16.5363 11.7129 7.88491 GPRESSAVG: 3741800 14.2738 -50.981 15.5767 -53.6812 20.5712 10.8475 15.3452 11.9195 6.9546 TIMING: 3741800 CPU: 11130.2, 0.00297126/step Wall: 11130.2, 0.00297126/step, 1.03845 hours remaining, 208.335938 MB of memory in use. ENERGY: 3741800 730.9414 2091.3013 1953.7258 112.3518 -206227.9350 17803.6164 0.0000 0.0000 34272.2611 -149263.7372 299.3082 -183535.9983 -149165.9499 298.9120 -10.7649 21.9091 557060.2131 14.0382 13.9332 PRESSURE: 3742000 -247.166 -171.723 281.978 -171.722 -138.235 -12.526 281.978 -12.5264 59.4359 GPRESSURE: 3742000 -170.984 -165.513 239.849 -261.92 -131.205 -67.3722 266.74 13.8304 80.2376 PRESSAVG: 3742000 59.2286 -71.6613 -3.57767 -71.6614 -24.7262 52.9484 -3.57768 52.9484 -20.8348 GPRESSAVG: 3742000 59.7291 -71.6662 -1.54753 -74.0866 -24.2332 51.788 -2.84059 55.2442 -20.9689 TIMING: 3742000 CPU: 11130.8, 0.00295088/step Wall: 11130.8, 0.00295088/step, 1.03117 hours remaining, 208.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3742000 734.3324 2082.8529 1931.5245 118.7704 -206018.4905 17648.0778 0.0000 0.0000 34381.9692 -149120.9633 300.2663 -183502.9325 -149020.0162 298.8040 -108.6552 -73.9840 557389.5256 4.5559 4.8424 PRESSURE: 3742200 -243.908 -5.8581 195.502 -5.85959 -253.668 89.8143 195.501 89.8139 -155.638 GPRESSURE: 3742200 -253.897 92.1458 139.54 -109.624 -208.189 -14.6029 263.16 129.213 -88.1069 PRESSAVG: 3742200 0.72907 -38.2204 65.6478 -38.2205 10.8936 9.57923 65.6478 9.57927 -24.3822 GPRESSAVG: 3742200 0.635291 -38.3403 64.3173 -37.4262 10.6495 10.3094 65.9846 6.81815 -24.2843 TIMING: 3742200 CPU: 11131.4, 0.00295158/step Wall: 11131.4, 0.00295158/step, 1.03125 hours remaining, 208.335938 MB of memory in use. ENERGY: 3742200 745.6337 2099.1384 1928.9312 114.9900 -206027.9732 17572.6222 0.0000 0.0000 34351.6628 -149214.9948 300.0016 -183566.6576 -149114.9427 298.9198 -217.7381 -183.3979 558288.6410 -4.2532 -4.3332 PRESSURE: 3742400 31.9269 -80.3196 -22.5518 -80.32 87.6543 14.8975 -22.5526 14.8954 0.599172 GPRESSURE: 3742400 46.1015 -115.419 -1.85212 -65.3841 114.969 12.8696 -18.0938 42.2742 57.4099 PRESSAVG: 3742400 -4.5055 -40.2622 30.4904 -40.2621 15.324 -26.6649 30.4904 -26.6649 12.9453 GPRESSAVG: 3742400 -5.368 -40.3444 30.8553 -40.7906 17.489 -27.1505 31.6398 -25.2731 11.9474 TIMING: 3742400 CPU: 11132, 0.00298003/step Wall: 11132, 0.00298003/step, 1.04103 hours remaining, 208.335938 MB of memory in use. ENERGY: 3742400 732.4104 2115.4607 1962.9094 128.1551 -206394.8434 17882.6547 0.0000 0.0000 34215.6698 -149357.5833 298.8140 -183573.2531 -149270.7803 299.0111 40.0601 72.8270 558613.6296 7.9213 8.0228 PRESSURE: 3742600 -82.3701 17.7501 183.464 17.75 -82.4503 -204.455 183.463 -204.457 109.594 GPRESSURE: 3742600 -53.5796 12.7798 250.217 23.0815 -68.729 -199.184 136.897 -226.642 148.966 PRESSAVG: 3742600 23.17 -4.27501 12.7014 -4.27482 19.054 -2.43527 12.7014 -2.43528 -23.2858 GPRESSAVG: 3742600 23.3408 -6.47291 14.4073 -0.796062 18.3133 -1.72614 11.5677 -2.44596 -22.47 TIMING: 3742600 CPU: 11132.6, 0.00300358/step Wall: 11132.6, 0.00300358/step, 1.04908 hours remaining, 208.335938 MB of memory in use. ENERGY: 3742600 737.0881 2093.5137 1948.6025 117.0867 -206327.0589 17849.2905 0.0000 0.0000 34239.6813 -149341.7962 299.0237 -183581.4775 -149252.8179 298.6134 -18.4089 8.8857 557253.8495 6.3127 6.3947 PRESSURE: 3742800 -262.991 -218.766 -19.8033 -218.766 65.2562 -192.306 -19.803 -192.305 -13.1508 GPRESSURE: 3742800 -229.949 -280.283 9.96938 -184.068 94.6744 -257.26 -20.5508 -169.315 25.0545 PRESSAVG: 3742800 -81.2302 13.5049 46.3905 13.5049 41.1641 -73.6531 46.3906 -73.6531 72.3989 GPRESSAVG: 3742800 -81.0663 15.403 46.2084 11.9307 40.4123 -71.9893 44.892 -75.6545 73.0916 TIMING: 3742800 CPU: 11133.2, 0.00295583/step Wall: 11133.2, 0.00295583/step, 1.03224 hours remaining, 208.335938 MB of memory in use. ENERGY: 3742800 707.3783 2109.5856 1932.3285 113.3756 -206287.2712 17760.7883 0.0000 0.0000 34444.0917 -149219.7233 300.8088 -183663.8150 -149124.1272 298.8757 -70.2952 -36.7401 559139.5592 10.7776 10.8126 PRESSURE: 3743000 -35.8429 -120.155 55.1904 -120.155 208.379 -55.3081 55.1909 -55.3073 -168.191 GPRESSURE: 3743000 4.32174 -163.63 116.798 -188.249 193.936 13.2873 5.28254 -86.2567 -88.9114 PRESSAVG: 3743000 21.7507 -14.6126 -16.3489 -14.6126 64.7966 -48.1782 -16.3489 -48.1782 -60.416 GPRESSAVG: 3743000 21.083 -14.5902 -16.4062 -16.6345 66.0128 -51.4809 -15.8433 -45.5729 -61.8904 TIMING: 3743000 CPU: 11133.8, 0.00297922/step Wall: 11133.8, 0.00297922/step, 1.04024 hours remaining, 208.335938 MB of memory in use. ENERGY: 3743000 744.8720 2068.5996 1959.5978 107.0567 -206386.9768 17915.3708 0.0000 0.0000 34183.0903 -149408.3896 298.5294 -183591.4799 -149310.4480 299.6221 1.4481 36.4488 556698.0147 8.7104 8.4018 PRESSURE: 3743200 -86.9715 -64.2951 -140.464 -64.2955 -154.355 -115.87 -140.465 -115.869 -25.1008 GPRESSURE: 3743200 -38.1955 -77.1202 -186.201 -52.2998 -79.8828 -131.114 -155.195 -93.0595 -49.3507 PRESSAVG: 3743200 -2.15047 47.5295 -37.7151 47.5295 26.3557 -46.3656 -37.715 -46.3656 9.9706 GPRESSAVG: 3743200 -0.643659 48.5444 -37.1182 48.2902 25.636 -45.1849 -37.303 -47.4558 8.96312 TIMING: 3743200 CPU: 11134.4, 0.00297621/step Wall: 11134.4, 0.00297621/step, 1.03903 hours remaining, 208.335938 MB of memory in use. ENERGY: 3743200 731.4670 2060.7948 1936.1631 115.9380 -206373.6036 17681.1222 0.0000 0.0000 34289.1440 -149558.9745 299.4556 -183848.1186 -149465.2726 298.4270 -88.8092 -55.8097 555933.4961 11.3920 11.3185 PRESSURE: 3743400 -78.1929 76.2278 139.753 76.2286 -78.2558 -91.9048 139.753 -91.9055 -86.7764 GPRESSURE: 3743400 -97.44 116.385 142.333 91.3085 6.78514 26.1391 119.687 -149.254 -52.5937 PRESSAVG: 3743400 22.5881 26.3507 30.2019 26.3508 -30.6573 -75.349 30.2019 -75.349 -1.5354 GPRESSAVG: 3743400 21.3997 24.5638 29.0099 27.714 -30.2917 -72.73 31.3949 -75.4727 -0.171755 TIMING: 3743400 CPU: 11135, 0.00294038/step Wall: 11135, 0.00294038/step, 1.02635 hours remaining, 208.335938 MB of memory in use. ENERGY: 3743400 748.9938 2042.6531 1932.2726 118.8122 -206387.8116 17710.5083 0.0000 0.0000 34271.0371 -149563.5346 299.2975 -183834.5716 -149473.4572 298.6143 -81.0750 -47.7495 557759.0510 -3.2015 -3.0213 PRESSURE: 3743600 34.6256 -24.5222 -112.468 -24.5223 -199.087 -87.7328 -112.467 -87.7318 36.4816 GPRESSURE: 3743600 41.4124 -99.057 -178.035 67.631 -132.11 -109.68 -82.8482 -30.8391 67.2271 PRESSAVG: 3743600 11.483 -8.81308 34.0362 -8.81308 -44.6315 12.5967 34.0361 12.5968 35.1554 GPRESSAVG: 3743600 11.6323 -7.27061 34.6349 -9.9604 -45.1926 8.30524 33.083 15.1444 35.8348 TIMING: 3743600 CPU: 11135.5, 0.00293766/step Wall: 11135.5, 0.00293766/step, 1.02524 hours remaining, 208.335938 MB of memory in use. ENERGY: 3743600 797.2277 2073.4407 1934.1713 100.9087 -206396.6946 17950.7468 0.0000 0.0000 34087.0542 -149453.1453 297.6907 -183540.1995 -149360.3213 297.9588 -42.6600 -7.8235 558599.2903 0.6690 0.7581 PRESSURE: 3743800 -264.047 -107.869 -270.153 -107.87 107.288 -50.1003 -270.153 -50.1005 -275.327 GPRESSURE: 3743800 -291.015 -136.39 -357.936 -33.876 154.562 -2.49821 -212.672 -56.413 -199.283 PRESSAVG: 3743800 -18.3826 -4.99133 33.2914 -4.9914 57.1677 -36.4815 33.2915 -36.4815 -47.0953 GPRESSAVG: 3743800 -18.3636 -4.64174 33.2353 -4.50055 57.3797 -35.9489 31.6093 -39.5774 -47.6216 TIMING: 3743800 CPU: 11136.1, 0.00294097/step Wall: 11136.1, 0.00294097/step, 1.02624 hours remaining, 208.335938 MB of memory in use. ENERGY: 3743800 747.9240 2124.8843 1938.0096 123.3394 -205917.9385 17553.3088 0.0000 0.0000 34214.5458 -149215.9267 298.8041 -183430.4724 -149113.1364 298.6259 -144.0286 -111.9124 558932.6067 -2.7701 -2.8685 PRESSURE: 3744000 -21.7999 -25.3498 58.649 -25.3504 -310.768 -17.2277 58.6479 -17.2279 -138.101 GPRESSURE: 3744000 12.6339 55.2411 97.4162 -112.111 -320.312 28.3619 31.4666 -98.3456 -59.5796 PRESSAVG: 3744000 -41.6034 -8.01448 32.1499 -8.01442 2.59855 47.7111 32.1498 47.7111 -12.1966 GPRESSAVG: 3744000 -40.8084 -8.75384 32.0012 -9.21227 2.12322 48.6729 32.6475 48.3375 -12.4291 TIMING: 3744000 CPU: 11136.7, 0.00294368/step Wall: 11136.7, 0.00294368/step, 1.02702 hours remaining, 208.335938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3744000 807.3067 2101.0306 1933.2859 105.6185 -206407.4472 17879.2741 0.0000 0.0000 34376.3580 -149204.5733 300.2173 -183580.9313 -149109.0165 299.0400 -156.8897 -122.4193 556587.4343 -17.0671 -17.0381 PRESSURE: 3744200 286.158 -9.24499 -86.4609 -9.24464 -43.8653 -89.5011 -86.4601 -89.5007 63.7206 GPRESSURE: 3744200 285.506 7.07382 -118.396 -28.5184 33.6588 19.7923 -101.524 -111.523 83.9606 PRESSAVG: 3744200 -31.4652 -50.0639 15.6145 -50.0639 0.464892 -33.8978 15.6147 -33.8976 33.3934 GPRESSAVG: 3744200 -31.3056 -49.6118 13.796 -48.4588 0.922749 -34.23 16.3741 -34.8727 32.7225 TIMING: 3744200 CPU: 11137.3, 0.00296527/step Wall: 11137.3, 0.00296527/step, 1.03439 hours remaining, 208.335938 MB of memory in use. ENERGY: 3744200 791.1198 2103.4876 1931.1062 111.3188 -206465.7705 17963.9114 0.0000 0.0000 34326.0166 -149238.8100 299.7776 -183564.8266 -149143.2022 299.0428 102.0044 134.3752 557323.2808 0.7977 0.7799 LDB: ============= START OF LOAD BALANCING ============== 11140.9 LDB: ============== END OF LOAD BALANCING =============== 11140.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11140.9 LDB: ============= START OF LOAD BALANCING ============== 11141.2 LDB: Largest compute 4796 load 0.024842 is 21.0% of average load 0.118347 LDB: Average compute 0.001728 is 1.5% of average load 0.118347 LDB: TIME 11141.2 LOAD: AVG 0.118347 MAX 0.197704 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.191 MB LDB: TIME 11141.2 LOAD: AVG 0.118347 MAX 0.197704 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.25 MB LDB: TIME 11141.2 LOAD: AVG 0.118347 MAX 0.197704 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11141.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11141.2 PRESSURE: 3744400 -39.9161 -52.1958 -139.186 -52.1959 -142.559 -57.0158 -139.185 -57.0149 -97.099 GPRESSURE: 3744400 -22.481 10.1519 -164.651 -79.5188 -93.7991 -127.933 -67.3978 11.656 -73.3688 PRESSAVG: 3744400 -1.86454 -9.51517 -25.1849 -9.5151 -30.2337 -43.6909 -25.1849 -43.6909 50.9215 GPRESSAVG: 3744400 -2.79958 -8.53853 -25.6069 -11.2812 -29.7163 -43.5998 -24.543 -42.9589 51.063 TIMING: 3744400 CPU: 11137.9, 0.00302959/step Wall: 11137.9, 0.00302959/step, 1.05665 hours remaining, 206.539062 MB of memory in use. ENERGY: 3744400 756.9782 2095.2020 1943.6128 123.2043 -206399.8754 17860.4713 0.0000 0.0000 34422.3010 -149198.1057 300.6185 -183620.4067 -149090.6763 299.3905 -93.1914 -63.2163 557144.8144 6.2744 6.1824 PRESSURE: 3744600 -133.263 -130.849 117.325 -130.849 -171.188 -120.53 117.325 -120.529 -67.0813 GPRESSURE: 3744600 -81.0012 -143.423 184.03 -95.6335 -174.756 -145.947 34.8676 -77.5578 -4.6314 PRESSAVG: 3744600 35.4338 -19.3352 1.20305 -19.3353 -62.9737 -35.6828 1.20302 -35.6829 55.4346 GPRESSAVG: 3744600 35.8272 -19.3922 0.683457 -19.3529 -63.1347 -35.9491 2.07025 -35.4224 55.8396 TIMING: 3744600 CPU: 11138.5, 0.00293764/step Wall: 11138.5, 0.00293764/step, 1.02442 hours remaining, 206.539062 MB of memory in use. ENERGY: 3744600 748.9568 2085.6753 1964.1320 125.8577 -205888.7493 17539.5530 0.0000 0.0000 34216.8027 -149207.7718 298.8238 -183424.5745 -149112.0951 299.2815 -123.8442 -86.7963 557672.7578 9.2982 9.5107 PRESSURE: 3744800 401.477 135.249 97.4494 135.248 -92.7648 -141.571 97.4485 -141.57 54.8617 GPRESSURE: 3744800 356.325 109.214 90.7497 98.9087 -64.3057 -105.692 38.7242 -158.082 164.938 PRESSAVG: 3744800 23.6524 -27.766 9.80375 -27.7661 -33.1034 -42.1822 9.8038 -42.1822 -15.6207 GPRESSAVG: 3744800 23.454 -30.2496 10.7772 -25.2444 -32.5444 -42.2433 8.60121 -41.9379 -16.2093 TIMING: 3744800 CPU: 11139.1, 0.00293587/step Wall: 11139.1, 0.00293587/step, 1.02364 hours remaining, 206.539062 MB of memory in use. ENERGY: 3744800 739.9811 2120.3548 1980.2313 108.3638 -206241.7113 17961.8325 0.0000 0.0000 34211.9021 -149119.0457 298.7810 -183330.9478 -149023.3948 298.8610 121.1913 152.3192 559079.8718 -8.3573 -8.4332 PRESSURE: 3745000 -127.262 126.027 -118.763 126.026 35.0103 4.03244 -118.764 4.03244 -1.3247 GPRESSURE: 3745000 -70.7572 115.037 -113.854 84.5424 12.5508 34.42 -132.756 7.46205 71.0013 PRESSAVG: 3745000 42.4036 -6.52166 1.43585 -6.52165 -65.3299 -22.1123 1.43584 -22.1122 38.332 GPRESSAVG: 3745000 42.3607 -3.95006 2.6271 -7.12513 -66.3372 -19.2063 0.663487 -24.6407 38.9299 TIMING: 3745000 CPU: 11139.7, 0.00292782/step Wall: 11139.7, 0.00292782/step, 1.02067 hours remaining, 206.539062 MB of memory in use. ENERGY: 3745000 743.8472 2093.5621 1939.5652 95.3771 -206236.2869 17808.1447 0.0000 0.0000 34300.6450 -149255.1455 299.5561 -183555.7905 -149154.5603 299.4964 -31.1921 4.2650 557552.1013 5.1352 4.9845 PRESSURE: 3745200 45.7448 -97.2776 78.5914 -97.2773 -13.1376 56.1553 78.5916 56.155 146.488 GPRESSURE: 3745200 95.4039 -110.253 79.5927 -170.808 10.0171 42.0132 148.404 71.6757 178.859 PRESSAVG: 3745200 77.7912 14.9358 -41.2613 14.9356 -69.2632 -2.20333 -41.2613 -2.2033 3.63944 GPRESSAVG: 3745200 77.8226 15.9211 -41.2972 12.3448 -70.1307 -5.31803 -40.7349 0.67044 3.82269 TIMING: 3745200 CPU: 11140.3, 0.00292537/step Wall: 11140.3, 0.00292537/step, 1.01966 hours remaining, 206.539062 MB of memory in use. ENERGY: 3745200 779.8288 2104.4086 1927.2064 119.4292 -206092.8535 17878.7481 0.0000 0.0000 34216.3657 -149066.8668 298.8200 -183283.2325 -148973.9655 299.8199 59.6985 94.7602 558466.2292 4.0558 3.8382 PRESSURE: 3745400 -362.202 65.1557 29.9262 65.1566 62.2928 -9.29877 29.9273 -9.2995 -174.237 GPRESSURE: 3745400 -317.58 65.1258 19.5204 74.2944 54 -20.0929 -56.8672 -11.937 -107.286 PRESSAVG: 3745400 15.904 -20.6446 -27.6635 -20.6446 23.5289 50.2402 -27.6635 50.2402 -52.7069 GPRESSAVG: 3745400 16.2657 -23.561 -25.983 -18.8832 24.2287 51.0889 -29.5964 47.3326 -53.5643 TIMING: 3745400 CPU: 11140.9, 0.0029544/step Wall: 11140.9, 0.0029544/step, 1.02961 hours remaining, 206.539062 MB of memory in use. ENERGY: 3745400 787.7175 2105.1105 1965.6315 122.5819 -206058.4750 17668.1696 0.0000 0.0000 34329.5910 -149079.6729 299.8089 -183409.2639 -148980.8985 299.3236 -158.0486 -123.6218 557539.8213 -4.4247 -4.3566 PRESSURE: 3745600 -119.24 171.331 5.70786 171.332 92.4643 14.9088 5.70807 14.91 -88.3247 GPRESSURE: 3745600 -61.1779 157.533 -39.6212 258.647 119.443 91.1198 110.991 20.4543 -74.4412 PRESSAVG: 3745600 39.3527 30.6237 22.5213 30.6236 -12.9919 -6.32078 22.5213 -6.3207 -15.6039 GPRESSAVG: 3745600 38.8983 30.9982 21.1619 31.613 -13.2359 -6.27428 24.1286 -4.27281 -14.9744 TIMING: 3745600 CPU: 11141.4, 0.0029627/step Wall: 11141.4, 0.0029627/step, 1.03234 hours remaining, 206.539062 MB of memory in use. ENERGY: 3745600 710.2341 2066.6089 1960.5142 99.8404 -205859.5658 17681.6232 0.0000 0.0000 34490.3081 -148850.4368 301.2124 -183340.7449 -148753.6711 300.2315 -38.3669 -5.3919 558263.5697 3.5857 3.5626 PRESSURE: 3745800 260.264 -86.9969 65.4062 -86.9966 38.9427 227.599 65.4064 227.599 271.849 GPRESSURE: 3745800 283.049 -128.533 132.451 -59.3882 57.8028 216.406 -59.1221 189.411 323.539 PRESSAVG: 3745800 5.77372 22.3431 -18.2295 22.343 -36.8768 52.0999 -18.2295 52.0999 14.9846 GPRESSAVG: 3745800 6.2986 23.0963 -17.2108 21.7609 -37.109 53.1656 -18.4418 49.4092 14.0621 TIMING: 3745800 CPU: 11142, 0.00294894/step Wall: 11142, 0.00294894/step, 1.02738 hours remaining, 206.539062 MB of memory in use. ENERGY: 3745800 749.0062 2066.0944 1950.8116 119.9181 -206487.0693 18188.2338 0.0000 0.0000 34494.0151 -148918.9902 301.2448 -183413.0052 -148812.7590 300.2667 190.3519 221.4637 558068.1146 -5.3728 -5.5828 PRESSURE: 3746000 82.5604 -20.5018 -193.097 -20.5019 10.9461 -98.5778 -193.096 -98.5776 -88.1513 GPRESSURE: 3746000 93.9563 32.034 -219.153 -8.89668 62.5613 -73.3896 -154.949 -83.722 -48.4572 PRESSAVG: 3746000 35.6297 -8.14761 -38.2268 -8.14763 -62.7223 -12.8233 -38.2267 -12.8233 36.5473 GPRESSAVG: 3746000 33.9655 -9.65931 -38.7952 -9.22146 -62.6283 -12.4161 -37.3354 -11.8073 37.7975 TIMING: 3746000 CPU: 11142.6, 0.00295364/step Wall: 11142.6, 0.00295364/step, 1.02885 hours remaining, 206.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3746000 742.7060 2049.3366 1946.5114 115.1986 -206269.7287 17916.6929 0.0000 0.0000 34591.4928 -148907.7905 302.0961 -183499.2832 -148808.1870 300.1657 1.7851 36.0201 557813.2116 3.1516 3.0449 PRESSURE: 3746200 -425.744 37.3867 32.6487 37.3854 -141.801 171.853 32.6486 171.855 59.938 GPRESSURE: 3746200 -342.79 36.8905 82.9977 30.6616 -177.797 149.359 -17.7742 100.634 106.251 PRESSAVG: 3746200 -55.3001 12.9564 -42.3498 12.9564 -7.1303 10.382 -42.3499 10.382 23.1464 GPRESSAVG: 3746200 -55.2758 14.5437 -41.8447 13.1079 -6.71954 7.93505 -43.6317 12.4173 22.8739 TIMING: 3746200 CPU: 11143.2, 0.00293964/step Wall: 11143.2, 0.00293964/step, 1.02381 hours remaining, 206.539062 MB of memory in use. ENERGY: 3746200 730.9291 2105.0762 1940.1415 114.2046 -205691.2874 17305.5379 0.0000 0.0000 34445.4881 -149049.9098 300.8210 -183495.3979 -148943.3619 299.4704 -169.2022 -138.1120 556725.0697 -13.0947 -13.0405 PRESSURE: 3746400 84.8396 154.692 -7.96245 154.692 -242.362 -3.91191 -7.96316 -3.91258 4.00094 GPRESSURE: 3746400 159.939 142.712 -22.6635 130.973 -211.301 12.1815 -20.8102 3.1683 -10.785 PRESSAVG: 3746400 -16.2939 -1.46648 30.5314 -1.46652 40.1101 8.11579 30.5314 8.11576 17.2631 GPRESSAVG: 3746400 -15.6803 -2.6516 29.1525 1.32914 39.3613 7.02919 30.9452 7.93181 17.3529 TIMING: 3746400 CPU: 11143.8, 0.00294425/step Wall: 11143.8, 0.00294425/step, 1.02525 hours remaining, 206.539062 MB of memory in use. ENERGY: 3746400 731.7179 2070.8681 1976.5980 131.6979 -205911.3807 17461.9336 0.0000 0.0000 34595.9331 -148942.6319 302.1349 -183538.5650 -148850.3144 300.8047 -51.1739 -20.7158 556640.9366 13.6931 13.6780 PRESSURE: 3746600 -346.589 -11.4166 125.57 -11.4171 -336.696 -132.281 125.57 -132.28 -116.935 GPRESSURE: 3746600 -337.636 -45.0596 149.653 39.1333 -295.13 -157.949 122.784 -59.8035 -60.6956 PRESSAVG: 3746600 7.96241 41.1564 22.6025 41.1564 -66.7458 -28.6008 22.6025 -28.6008 52.9562 GPRESSAVG: 3746600 7.02249 42.6503 22.5621 39.2635 -65.1785 -25.6354 22.0248 -29.6904 52.0242 TIMING: 3746600 CPU: 11144.4, 0.00293146/step Wall: 11144.4, 0.00293146/step, 1.02064 hours remaining, 206.539062 MB of memory in use. ENERGY: 3746600 750.9375 2073.7882 1943.8610 115.4942 -205063.3929 17147.9059 0.0000 0.0000 33993.2927 -149038.1134 296.8719 -183031.4061 -148950.2328 300.1561 -266.7403 -231.1537 557996.0889 -1.9424 -2.0439 PRESSURE: 3746800 -10.5048 150.385 90.6917 150.386 66.111 32.2789 90.6927 32.2804 -64.6228 GPRESSURE: 3746800 36.7929 167.372 30.5764 215.676 67.4801 -10.4673 132.925 -4.84282 -27.8684 PRESSAVG: 3746800 -19.0928 26.1814 -5.90357 26.1814 -45.6396 -20.906 -5.90353 -20.9059 53.9527 GPRESSAVG: 3746800 -19.1777 25.2067 -4.80249 26.0121 -47.3497 -20.5572 -4.26355 -22.2329 56.1042 TIMING: 3746800 CPU: 11145, 0.00293998/step Wall: 11145, 0.00293998/step, 1.02344 hours remaining, 206.539062 MB of memory in use. ENERGY: 3746800 737.1143 2074.6457 1941.4242 106.7953 -206130.1137 17887.6524 0.0000 0.0000 34332.2209 -149050.2610 299.8318 -183382.4819 -148955.8132 300.0558 -3.0055 25.4682 558380.2011 -3.5932 -3.4744 PRESSURE: 3747000 31.4223 -65.1794 51.0734 -65.1796 222.479 50.2076 51.0726 50.2085 268.663 GPRESSURE: 3747000 74.5021 -3.27382 71.1518 -60.2736 249.389 76.526 84.8519 23.8197 291.997 PRESSAVG: 3747000 -72.3989 -21.7374 7.92596 -21.7374 63.0269 -3.84352 7.9259 -3.84359 4.46219 GPRESSAVG: 3747000 -70.9406 -21.6985 6.01388 -21.2155 62.5459 -7.14012 8.65842 -2.25023 3.69305 TIMING: 3747000 CPU: 11145.6, 0.00291963/step Wall: 11145.6, 0.00291962/step, 1.01619 hours remaining, 206.539062 MB of memory in use. ENERGY: 3747000 733.3673 2055.1554 1938.0895 124.6235 -206009.8933 17731.9070 0.0000 0.0000 34454.6653 -148972.0853 300.9012 -183426.7507 -148874.4193 299.7116 174.1881 205.2959 556530.5330 -1.6366 -1.5672 PRESSURE: 3747200 -340.895 -76.2259 -233.579 -76.2261 -192.594 -20.611 -233.579 -20.6108 -79.9147 GPRESSURE: 3747200 -327.208 -94.9098 -248.876 -21.3599 -132.765 -17.5032 -198.665 -93.0455 -57.3947 PRESSAVG: 3747200 -73.7228 2.55007 8.816 2.55019 13.5385 -47.4361 8.81597 -47.4361 61.0469 GPRESSAVG: 3747200 -74.6462 0.908334 8.90559 2.62001 15.164 -45.2983 9.6191 -49.911 60.5563 TIMING: 3747200 CPU: 11146.1, 0.00291844/step Wall: 11146.1, 0.00291844/step, 1.01562 hours remaining, 206.539062 MB of memory in use. ENERGY: 3747200 730.5834 2083.5166 1964.4326 127.3531 -205855.4694 17543.0930 0.0000 0.0000 34344.6277 -149061.8630 299.9402 -183406.4908 -148961.4304 299.9702 -204.4680 -172.4558 559093.0247 0.2875 0.3580 PRESSURE: 3747400 -39.0054 -101.663 -70.6583 -101.663 -46.0985 45.8918 -70.6577 45.892 84.9276 GPRESSURE: 3747400 1.66724 -35.7729 -132.116 -83.5748 -37.7623 68.133 -83.9197 46.2225 124.293 PRESSAVG: 3747400 -37.7283 -26.1476 -38.7788 -26.1477 -20.1449 -62.5188 -38.7789 -62.5188 56.8824 GPRESSAVG: 3747400 -38.2507 -25.6228 -37.5805 -25.8471 -21.0631 -62.362 -40.9771 -61.0973 58.7003 TIMING: 3747400 CPU: 11146.7, 0.00293131/step Wall: 11146.7, 0.00293131/step, 1.01993 hours remaining, 206.539062 MB of memory in use. ENERGY: 3747400 730.4597 2097.1165 1953.9595 107.0611 -205939.2455 17763.3358 0.0000 0.0000 34156.6298 -149130.6832 298.2983 -183287.3130 -149033.5350 299.1534 -0.0588 29.3993 558994.2430 -0.3303 -0.2045 PRESSURE: 3747600 164.089 28.2129 30.3591 28.2124 -160.87 -53.3897 30.3596 -53.3902 -342.484 GPRESSURE: 3747600 175.252 101.394 -14.6455 -60.5332 -164.122 -102.735 91.427 -46.5593 -261.88 PRESSAVG: 3747600 -8.43034 -17.8021 60.6386 -17.8021 -59.8292 -24.1482 60.6386 -24.1482 52.8252 GPRESSAVG: 3747600 -8.04548 -15.5623 60.7326 -18.8032 -59.4926 -25.8248 62.7984 -24.6122 51.9677 TIMING: 3747600 CPU: 11147.3, 0.0029522/step Wall: 11147.3, 0.0029522/step, 1.02704 hours remaining, 206.539062 MB of memory in use. ENERGY: 3747600 716.9811 2131.1355 1967.0032 118.9861 -205852.9694 17618.0941 0.0000 0.0000 34216.4858 -149084.2836 298.8211 -183300.7694 -148986.2502 298.8773 -113.0884 -83.5835 557683.5857 -5.1448 -5.1901 PRESSURE: 3747800 -26.3063 -25.9649 9.12684 -25.9648 24.3854 -101.298 9.12632 -101.295 47.2651 GPRESSURE: 3747800 -4.41333 7.56687 -20.5047 40.9997 90.8722 -164.918 11.9719 -99.8245 73.1836 PRESSAVG: 3747800 -6.25227 -35.2234 10.622 -35.2234 -24.4686 9.37848 10.6218 9.37842 4.11031 GPRESSAVG: 3747800 -5.68178 -38.5967 12.1706 -30.7509 -24.2392 10.081 9.06339 10.1254 3.52736 TIMING: 3747800 CPU: 11147.9, 0.00297385/step Wall: 11147.9, 0.00297385/step, 1.0344 hours remaining, 206.539062 MB of memory in use. ENERGY: 3747800 703.0310 2042.4194 1938.6099 111.8774 -205922.5063 17690.0775 0.0000 0.0000 34315.7985 -149120.6926 299.6884 -183436.4911 -149021.1608 300.1541 15.1147 53.2142 556099.8964 -8.8702 -8.7979 PRESSURE: 3748000 -11.3564 43.2162 171.558 43.2161 79.5111 103.372 171.558 103.373 101.982 GPRESSURE: 3748000 -37.5875 64.2802 177.706 32.9818 172.443 90.7027 134.865 120.651 120.992 PRESSAVG: 3748000 -17.238 -30.9333 50.3394 -30.9332 -5.45355 26.0003 50.3396 26.0003 39.2325 GPRESSAVG: 3748000 -16.2138 -27.5852 48.5075 -36.8819 -4.92839 27.2113 50.005 24.1625 38.1841 TIMING: 3748000 CPU: 11148.5, 0.00296301/step Wall: 11148.5, 0.00296301/step, 1.03047 hours remaining, 206.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3748000 743.4448 2099.0745 1984.1716 107.4370 -206624.8161 18199.7616 0.0000 0.0000 34366.1992 -149124.7275 300.1286 -183490.9267 -149020.7863 298.8139 56.7123 85.2825 558304.4425 5.5136 5.6807 PRESSURE: 3748200 -55.8345 -2.27767 61.7367 -2.2772 -2.73046 -45.8915 61.7361 -45.8911 106.895 GPRESSURE: 3748200 -20.9373 -81.805 3.39893 8.55477 23.9163 -72.2866 59.9221 -41.752 154.559 PRESSAVG: 3748200 42.5551 10.8784 58.9724 10.8784 -32.7806 17.8589 58.9723 17.8589 -28.8651 GPRESSAVG: 3748200 41.372 8.75572 59.7823 13 -32.9773 16.6898 58.792 17.206 -27.4407 TIMING: 3748200 CPU: 11149.1, 0.00296096/step Wall: 11149.1, 0.00296096/step, 1.02959 hours remaining, 206.539062 MB of memory in use. ENERGY: 3748200 713.2191 2101.1952 1935.1571 127.7239 -206171.7070 17906.2413 0.0000 0.0000 34175.3716 -149212.7988 298.4620 -183388.1704 -149114.3114 298.6416 16.1101 52.5125 557908.3707 -6.3635 -6.3486 LDB: ============= START OF LOAD BALANCING ============== 11152.6 LDB: ============== END OF LOAD BALANCING =============== 11152.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11152.6 LDB: ============= START OF LOAD BALANCING ============== 11152.9 LDB: Largest compute 4802 load 0.027154 is 23.0% of average load 0.118213 LDB: Average compute 0.001733 is 1.5% of average load 0.118213 LDB: TIME 11152.9 LOAD: AVG 0.118213 MAX 0.195249 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 11152.9 LOAD: AVG 0.118213 MAX 0.195249 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 11152.9 LOAD: AVG 0.118213 MAX 0.195249 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: ============== END OF LOAD BALANCING =============== 11152.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11152.9 PRESSURE: 3748400 -119.398 59.0332 -95.0136 59.0336 -100.205 84.2644 -95.0131 84.2638 -183.233 GPRESSURE: 3748400 -74.0989 -11.5935 -83.6813 40.1716 -47.4173 73.969 -122.993 133.983 -184.737 PRESSAVG: 3748400 21.745 -19.1109 29.599 -19.1109 -7.22389 -34.2346 29.5989 -34.2346 41.928 GPRESSAVG: 3748400 22.515 -19.3927 29.4047 -18.1501 -8.11667 -36.0749 30.7549 -30.3703 42.4768 TIMING: 3748400 CPU: 11149.7, 0.00297225/step Wall: 11149.7, 0.00297225/step, 1.03335 hours remaining, 207.304688 MB of memory in use. ENERGY: 3748400 792.9599 2080.5950 1977.4384 112.7670 -205914.2566 17605.5210 0.0000 0.0000 34251.3436 -149093.6318 299.1255 -183344.9754 -148991.5819 299.2221 -134.2785 -102.0844 557812.3328 18.8164 18.9584 PRESSURE: 3748600 -21.3985 -81.5854 134.669 -81.5839 89.9772 22.2298 134.669 22.2319 -40.0589 GPRESSURE: 3748600 -5.09176 -42.7373 157.899 -20.413 117.307 17.666 120.191 -35.0667 23.891 PRESSAVG: 3748600 -5.41906 -29.0187 29.3735 -29.0188 -57.2875 -22.6554 29.3735 -22.6554 39.8124 GPRESSAVG: 3748600 -5.20063 -27.2933 30.521 -29.4642 -56.3518 -20.0583 27.3699 -23.9188 39.0684 TIMING: 3748600 CPU: 11150.3, 0.00294903/step Wall: 11150.3, 0.00294903/step, 1.02512 hours remaining, 207.304688 MB of memory in use. ENERGY: 3748600 755.9179 2099.3702 1951.6518 115.4020 -205790.7314 17674.9225 0.0000 0.0000 34182.1428 -149011.3242 298.5212 -183193.4670 -148913.4315 300.0898 9.5066 45.3688 557393.7732 -7.6314 -7.4947 PRESSURE: 3748800 76.2676 126.424 -19.1095 126.423 -209.521 75.73 -19.1103 75.7297 -84.7459 GPRESSURE: 3748800 154.721 147.983 10.7506 144.599 -202.186 74.3002 -26.9187 -41.7079 -62.1487 PRESSAVG: 3748800 35.7785 23.4208 -13.6596 23.4207 -0.0651701 -5.73808 -13.6597 -5.73803 -34.3333 GPRESSAVG: 3748800 35.462 22.8854 -16.0269 23.5453 0.2162 -6.39991 -11.9685 -7.89207 -34.0823 TIMING: 3748800 CPU: 11150.9, 0.00293222/step Wall: 11150.9, 0.00293222/step, 1.01911 hours remaining, 207.304688 MB of memory in use. ENERGY: 3748800 758.6764 2093.9130 1941.8599 115.3616 -205633.9272 17532.5757 0.0000 0.0000 34256.3933 -148935.1473 299.1696 -183191.5406 -148838.7821 299.6765 -72.6666 -36.5381 558384.7029 0.4600 0.5320 PRESSURE: 3749000 -132.006 27.3337 -21.4166 27.3334 158.547 115.998 -21.4172 115.998 20.3943 GPRESSURE: 3749000 -99.5525 35.9594 -75.987 46.1217 182.763 97.6946 -57.8058 30.4013 59.9091 PRESSAVG: 3749000 16.5663 41.1897 -34.786 41.1897 22.0559 -3.91021 -34.7859 -3.91026 -26.6271 GPRESSAVG: 3749000 16.9489 39.4554 -33.5099 42.6897 21.5529 -4.09076 -35.7722 -2.48 -26.4409 TIMING: 3749000 CPU: 11151.5, 0.00291433/step Wall: 11151.5, 0.00291433/step, 1.01273 hours remaining, 207.304688 MB of memory in use. ENERGY: 3749000 766.0373 2093.3379 1934.8613 106.8976 -206130.6115 17886.6338 0.0000 0.0000 34404.2445 -148938.5992 300.4608 -183342.8436 -148839.2860 300.4674 15.6450 47.7064 557560.8405 3.9984 4.0203 PRESSURE: 3749200 71.7027 -25.7257 -67.2451 -25.7252 55.0779 63.9965 -67.244 63.9964 100.763 GPRESSURE: 3749200 124.92 -32.8823 -195.121 -40.754 99.3619 63.3456 -71.3871 36.4599 106.186 PRESSAVG: 3749200 -33.4491 38.3185 16.9105 38.3186 45.2619 36.9486 16.9105 36.9486 15.0453 GPRESSAVG: 3749200 -32.8194 40.7964 17.5256 36.6169 46.2992 38.046 17.0256 36.4485 13.3389 TIMING: 3749200 CPU: 11152, 0.00291349/step Wall: 11152, 0.00291349/step, 1.01227 hours remaining, 207.304688 MB of memory in use. ENERGY: 3749200 761.5378 2056.0529 1943.2240 115.9734 -206244.3483 17938.4384 0.0000 0.0000 34549.4283 -148879.6935 301.7288 -183429.1218 -148784.8030 300.3969 75.8480 110.1561 556462.5064 8.9527 8.9395 PRESSURE: 3749400 -94.0758 -25.3272 126.3 -25.3282 -87.2096 3.20407 126.301 3.20199 133.196 GPRESSURE: 3749400 -108.488 16.6877 7.11048 22.8115 -9.60861 -26.7394 181.49 66.291 156.337 PRESSAVG: 3749400 -62.1326 -40.7681 -24.6107 -40.7682 10.8889 -39.6768 -24.6107 -39.6768 43.1519 GPRESSAVG: 3749400 -62.0449 -42.1298 -24.4109 -38.2179 10.4779 -40.7591 -25.7446 -39.9827 43.8348 TIMING: 3749400 CPU: 11152.6, 0.0029004/step Wall: 11152.6, 0.0029004/step, 1.00757 hours remaining, 207.304688 MB of memory in use. ENERGY: 3749400 729.2543 2122.3814 1934.0520 120.4373 -205790.0090 17587.7086 0.0000 0.0000 34355.3131 -148940.8623 300.0335 -183296.1754 -148856.1240 300.5227 -16.0298 12.7470 556795.4305 -2.6973 -2.5774 PRESSURE: 3749600 -627.674 -119.06 -37.8071 -119.061 -213.179 -22.13 -37.8065 -22.1297 -346.883 GPRESSURE: 3749600 -569.333 -95.6255 -65.5453 -208.204 -208.837 -127.62 -93.5128 13.6636 -299.11 PRESSAVG: 3749600 -95.2836 -24.8748 -50.3755 -24.8747 12.0808 -7.29355 -50.3754 -7.29363 53.462 GPRESSAVG: 3749600 -95.4955 -23.9018 -52.4727 -26.6142 11.991 -6.25679 -48.6748 -7.56362 53.8513 TIMING: 3749600 CPU: 11153.2, 0.0029327/step Wall: 11153.2, 0.0029327/step, 1.01863 hours remaining, 207.304688 MB of memory in use. ENERGY: 3749600 778.3981 2100.7810 1908.4333 106.7696 -205492.2795 17534.2765 0.0000 0.0000 34365.1543 -148698.4668 300.1194 -183063.6211 -148604.5050 300.0247 -395.9120 -359.0935 559543.3377 -9.9136 -9.8844 PRESSURE: 3749800 323.018 28.4902 -67.5642 28.4897 25.3453 134.203 -67.5626 134.205 140.7 GPRESSURE: 3749800 356.529 38.3028 -102.708 76.2949 58.0501 204.224 -34.6522 26.7243 172.455 PRESSAVG: 3749800 53.1721 -33.6137 -51.4472 -33.6137 -39.666 -34.8299 -51.4472 -34.8298 -0.468287 GPRESSAVG: 3749800 53.2469 -34.5193 -50.6564 -32.7033 -39.7154 -33.6862 -50.2813 -35.5368 -0.379166 TIMING: 3749800 CPU: 11153.8, 0.00295859/step Wall: 11153.8, 0.00295859/step, 1.02745 hours remaining, 207.304688 MB of memory in use. ENERGY: 3749800 687.2291 2136.7795 1953.7793 129.5673 -206166.9468 17987.3646 0.0000 0.0000 34557.8831 -148714.3438 301.8026 -183272.2270 -148619.2428 300.8196 163.0212 195.6780 558314.8672 4.3459 4.3841 PRESSURE: 3750000 21.8206 28.2118 -170.792 28.2124 -224.744 180.342 -170.792 180.344 -295.106 GPRESSURE: 3750000 6.99381 51.6311 -123.488 -23.8391 -175.999 286.808 -152.725 76.6924 -227.675 PRESSAVG: 3750000 -4.42463 -17.0957 -52.8226 -17.0957 -8.37879 60.3372 -52.8226 60.3372 16.5102 GPRESSAVG: 3750000 -5.40171 -15.3137 -51.9731 -19.3959 -7.62912 59.2779 -53.0099 59.5264 16.5944 TIMING: 3750000 CPU: 11154.4, 0.00294543/step Wall: 11154.4, 0.00294544/step, 1.02272 hours remaining, 207.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3750000 770.7804 2123.2770 1958.9013 107.0862 -205330.7016 17517.4931 0.0000 0.0000 34312.1021 -148541.0616 299.6561 -182853.1637 -148443.8995 301.0826 -166.0098 -132.2268 559831.0602 1.2356 1.1879 PRESSURE: 3750200 202.102 -209.141 -8.45918 -209.139 71.4006 102.474 -8.4595 102.474 185.608 GPRESSURE: 3750200 193.919 -119.716 53.9312 -299.099 93.6409 109.653 -11.0534 147.638 270.05 PRESSAVG: 3750200 13.0312 -31.3826 -17.2655 -31.3826 -28.984 60.152 -17.2655 60.1519 3.32275 GPRESSAVG: 3750200 12.6674 -31.9403 -17.4129 -30.2084 -28.7879 59.8793 -19.5869 62.0332 3.15335 TIMING: 3750200 CPU: 11155, 0.00296756/step Wall: 11155, 0.00296756/step, 1.03024 hours remaining, 207.304688 MB of memory in use. ENERGY: 3750200 757.5751 2102.3199 1929.9596 116.1735 -205944.7662 17994.5504 0.0000 0.0000 34464.2372 -148579.9506 300.9848 -183044.1877 -148483.3683 300.5465 153.0370 185.8700 556533.6663 -4.2100 -4.3224 PRESSURE: 3750400 -2.00221 -175.85 8.20133 -175.85 -107.453 7.52647 8.202 7.52845 -100.081 GPRESSURE: 3750400 24.3051 -152.321 33.6576 -156.095 -77.797 -80.9627 -7.2465 -37.1104 -58.3796 PRESSAVG: 3750400 -33.092 -36.9003 -46.978 -36.9003 23.3543 -31.4455 -46.978 -31.4455 56.5054 GPRESSAVG: 3750400 -32.9175 -38.4349 -44.0764 -35.6073 23.377 -32.8903 -47.3775 -31.2572 56.9412 TIMING: 3750400 CPU: 11155.6, 0.0029592/step Wall: 11155.6, 0.0029592/step, 1.02717 hours remaining, 207.304688 MB of memory in use. ENERGY: 3750400 772.2306 2077.5318 1962.6854 114.5324 -205819.9890 17748.8645 0.0000 0.0000 34493.1520 -148650.9924 301.2373 -183144.1444 -148554.1443 301.8265 -69.8456 -37.2905 558174.0418 15.5892 15.8002 PRESSURE: 3750600 -99.6159 51.4794 -141.783 51.4799 -3.73135 118.474 -141.783 118.473 -129.89 GPRESSURE: 3750600 -109.822 -10.9759 -45.0254 128.713 108.714 149.11 -136.519 146.152 -130.852 PRESSAVG: 3750600 4.76532 -40.4621 -52.0682 -40.4621 23.7488 48.6345 -52.0683 48.6345 -40.8025 GPRESSAVG: 3750600 5.80728 -40.7794 -52.5413 -41.1495 23.4132 51.6865 -51.0394 48.7699 -41.1558 TIMING: 3750600 CPU: 11156.2, 0.00293831/step Wall: 11156.2, 0.00293831/step, 1.01976 hours remaining, 207.304688 MB of memory in use. ENERGY: 3750600 777.0265 2130.7955 1973.5153 114.8762 -206045.9573 17810.7367 0.0000 0.0000 34459.2553 -148779.7519 300.9412 -183239.0072 -148680.6539 300.6620 -77.7456 -43.9865 557590.6831 -4.0961 -3.9784 PRESSURE: 3750800 -222.834 140.072 -9.23215 140.071 -70.9142 131.427 -9.23234 131.427 59.2568 GPRESSURE: 3750800 -164.628 42.8402 44.984 100.115 -93.9138 113.084 25.7923 96.029 133.791 PRESSAVG: 3750800 -20.8632 -12.8987 -17.8414 -12.8987 -38.2709 25.7605 -17.8414 25.7606 51.9968 GPRESSAVG: 3750800 -21.5272 -11.6365 -19.1076 -13.3994 -37.9489 24.2083 -16.6346 24.2205 51.8611 TIMING: 3750800 CPU: 11156.7, 0.00293116/step Wall: 11156.7, 0.00293116/step, 1.01711 hours remaining, 207.304688 MB of memory in use. ENERGY: 3750800 749.0693 2113.4743 1940.8953 104.8915 -205730.3155 17636.1089 0.0000 0.0000 34383.6553 -148802.2209 300.2810 -183185.8762 -148704.8117 300.8834 -78.1637 -41.5838 556216.0599 -2.3791 -2.5383 PRESSURE: 3751000 61.809 -216.267 -143.381 -216.267 86.3547 67.7903 -143.38 67.7897 70.2063 GPRESSURE: 3751000 91.6907 -146.032 -50.1663 -255.972 212.869 106.801 -191.014 28.6896 19.4799 PRESSAVG: 3751000 -47.5881 20.5194 -89.2659 20.5193 1.63199 25.1261 -89.2658 25.1262 25.8513 GPRESSAVG: 3751000 -47.1348 20.454 -89.3182 20.5914 1.4071 26.4522 -88.3329 26.3502 25.8472 TIMING: 3751000 CPU: 11157.3, 0.00291302/step Wall: 11157.3, 0.00291302/step, 1.01066 hours remaining, 207.304688 MB of memory in use. ENERGY: 3751000 727.5612 2113.4104 1927.4451 108.3090 -205655.2723 17652.5212 0.0000 0.0000 34510.0494 -148615.9758 301.3848 -183126.0252 -148517.2433 300.5349 72.7900 108.0134 557388.8678 -6.7016 -6.6268 PRESSURE: 3751200 -99.0985 -69.1893 -117.016 -69.1912 105.135 48.7541 -117.017 48.7543 4.55376 GPRESSURE: 3751200 -41.1318 14.9645 -64.4994 -81.6717 95.8063 47.7994 -180.144 46.5259 54.1142 PRESSAVG: 3751200 -14.2345 -20.7091 -82.1486 -20.7092 28.1529 -0.151048 -82.1487 -0.151232 14.9792 GPRESSAVG: 3751200 -14.4868 -20.8287 -82.2501 -20.8243 27.973 -1.46685 -83.6924 -0.0353651 15.1443 TIMING: 3751200 CPU: 11157.9, 0.00292088/step Wall: 11157.9, 0.00292088/step, 1.01322 hours remaining, 207.304688 MB of memory in use. ENERGY: 3751200 753.9984 2093.8575 1970.4325 119.7613 -205615.2125 17655.5386 0.0000 0.0000 34474.4115 -148547.2127 301.0736 -183021.6242 -148450.4738 300.8562 3.5299 36.2629 558506.3876 9.6325 9.5435 PRESSURE: 3751400 -2.81402 -1.75698 11.7115 -1.75771 31.566 -22.8655 11.7122 -22.8657 152.077 GPRESSURE: 3751400 78.6475 10.1657 -123.44 -73.9711 15.2713 -29.4979 37.9272 -61.0932 171.842 PRESSAVG: 3751400 -37.7864 16.6836 -42.0019 16.6836 5.21022 71.6222 -42.002 71.6222 51.7858 GPRESSAVG: 3751400 -38.2254 18.5808 -43.5821 16.3158 5.8114 69.5225 -42.0201 71.2648 51.7827 TIMING: 3751400 CPU: 11158.5, 0.0029837/step Wall: 11158.5, 0.0029837/step, 1.03485 hours remaining, 207.304688 MB of memory in use. ENERGY: 3751400 725.0797 2098.0624 1927.6847 110.9205 -205625.3657 17770.9582 0.0000 0.0000 34633.4912 -148359.1690 302.4629 -182992.6602 -148264.9069 301.4108 60.2764 88.5869 559401.8191 6.4032 6.4562 PRESSURE: 3751600 16.0017 190.984 105.544 190.984 -72.8908 29.0586 105.544 29.0591 121.792 GPRESSURE: 3751600 45.9679 94.7826 108.502 249.589 -47.5326 26.9621 85.0952 95.872 159.54 PRESSAVG: 3751600 5.73872 53.8395 5.51816 53.8395 16.9075 43.7541 5.51823 43.7541 -16.5053 GPRESSAVG: 3751600 6.24896 51.1305 6.69895 54.6406 17.3861 45.6612 7.58318 44.6155 -17.5661 TIMING: 3751600 CPU: 11159.1, 0.00295262/step Wall: 11159.1, 0.00295262/step, 1.0239 hours remaining, 207.304688 MB of memory in use. ENERGY: 3751600 775.7860 2133.6228 1931.2131 114.3294 -205932.3960 17811.2169 0.0000 0.0000 34640.7822 -148525.4457 302.5266 -183166.2279 -148429.2136 301.0534 21.6344 52.6586 557561.7646 2.0470 2.0230 PRESSURE: 3751800 89.1781 42.3663 42.9327 42.3673 82.357 -105.826 42.9337 -105.826 -198.314 GPRESSURE: 3751800 71.4356 92.2402 39.7471 -12.0371 76.2451 -117.577 53.8641 -70.4907 -71.4636 PRESSAVG: 3751800 -25.8398 41.0694 -19.7916 41.0694 21.8834 11.196 -19.7916 11.1959 35.3556 GPRESSAVG: 3751800 -26.3737 44.0845 -17.848 40.7362 22.3411 11.5297 -20.3541 9.93484 35.8323 TIMING: 3751800 CPU: 11159.7, 0.002971/step Wall: 11159.7, 0.002971/step, 1.03011 hours remaining, 207.304688 MB of memory in use. ENERGY: 3751800 775.8852 2103.9010 2004.3127 130.7334 -205520.9276 17654.3006 0.0000 0.0000 34238.0531 -148613.7415 299.0094 -182851.7946 -148523.0088 301.5413 -8.9263 25.4057 558029.1762 10.4664 10.5999 PRESSURE: 3752000 -4.45638 -68.615 20.9104 -68.6139 -19.4802 -95.4298 20.9106 -95.4306 -502.166 GPRESSURE: 3752000 1.7946 -40.1606 21.628 -83.8501 31.0749 -97.5118 62.8792 -36.4233 -466.488 PRESSAVG: 3752000 55.053 3.59363 28.0692 3.59371 -55.7174 -17.5283 28.0691 -17.5282 -15.0473 GPRESSAVG: 3752000 55.8319 4.00729 28.2306 3.22052 -55.8618 -15.6286 26.9874 -18.5429 -15.7869 TIMING: 3752000 CPU: 11160.3, 0.00295262/step Wall: 11160.3, 0.00295262/step, 1.02358 hours remaining, 207.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3752000 781.4305 2104.8860 1922.4487 121.8772 -205493.3517 17551.2837 0.0000 0.0000 34311.5784 -148699.8473 299.6515 -183011.4257 -148598.4434 300.5227 -175.3675 -144.5397 558140.8938 -5.2372 -5.2723 PRESSURE: 3752200 217.544 -81.9691 -30.2972 -81.9699 138.063 -2.14551 -30.2963 -2.14537 -56.6171 GPRESSURE: 3752200 252.446 -116.196 19.6225 28.1661 147.303 -7.51691 -80.0536 -6.16065 -11.7622 PRESSAVG: 3752200 -5.88216 31.2625 0.982553 31.2625 38.0544 -36.3112 0.982593 -36.3113 -58.0235 GPRESSAVG: 3752200 -6.67809 28.6955 -0.0460005 31.2815 38.0489 -38.1758 -0.174973 -36.606 -57.11 TIMING: 3752200 CPU: 11160.9, 0.00297812/step Wall: 11160.9, 0.00297812/step, 1.03225 hours remaining, 207.304688 MB of memory in use. ENERGY: 3752200 782.0998 2116.7716 1942.5378 105.3456 -206031.4019 17956.8089 0.0000 0.0000 34506.6300 -148621.2083 301.3550 -183127.8384 -148525.0971 300.9446 99.6633 129.3288 557709.1476 -8.6171 -8.5797 LDB: ============= START OF LOAD BALANCING ============== 11164.4 LDB: ============== END OF LOAD BALANCING =============== 11164.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11164.4 LDB: ============= START OF LOAD BALANCING ============== 11164.7 LDB: Largest compute 4802 load 0.025849 is 21.8% of average load 0.118307 LDB: Average compute 0.001737 is 1.5% of average load 0.118307 LDB: TIME 11164.7 LOAD: AVG 0.118307 MAX 0.196808 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.113 MB LDB: TIME 11164.7 LOAD: AVG 0.118307 MAX 0.196808 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.113 MB LDB: TIME 11164.7 LOAD: AVG 0.118307 MAX 0.196808 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.113 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11164.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11164.7 PRESSURE: 3752400 77.5105 9.68563 -18.9832 9.68454 -95.8033 26.7498 -18.9828 26.7496 -225.683 GPRESSURE: 3752400 133.496 4.41934 16.5877 47.2542 -62.1062 32.391 -41.2925 21.2301 -227.1 PRESSAVG: 3752400 8.80889 -3.69512 46.1127 -3.6951 57.5772 -59.0409 46.1127 -59.0409 -61.8803 GPRESSAVG: 3752400 7.71412 -1.5392 44.9307 -3.85505 58.9195 -59.6939 46.5793 -57.0782 -61.4751 TIMING: 3752400 CPU: 11161.5, 0.00301571/step Wall: 11161.5, 0.00301571/step, 1.04511 hours remaining, 207.625000 MB of memory in use. ENERGY: 3752400 765.2659 2059.8119 1918.7130 117.2138 -205452.4721 17561.0283 0.0000 0.0000 34394.7249 -148635.7143 300.3777 -183030.4392 -148535.8767 300.7761 -81.3252 -51.9033 557513.6197 1.5019 1.7195 PRESSURE: 3752600 -176.562 146.696 7.08432 146.697 22.9186 124.4 7.08399 124.4 -12.7227 GPRESSURE: 3752600 -138.659 17.6321 45.6982 141.877 73.9737 39.6552 17.9723 160.117 -14.543 PRESSAVG: 3752600 54.6081 8.9362 23.1893 8.9362 -21.9293 -53.2465 23.1892 -53.2466 -27.1303 GPRESSAVG: 3752600 55.6493 6.78346 25.1486 10.5859 -22.9911 -53.622 23.5538 -54.2947 -27.4287 TIMING: 3752600 CPU: 11162.1, 0.00296206/step Wall: 11162.1, 0.00296206/step, 1.02635 hours remaining, 207.824219 MB of memory in use. ENERGY: 3752600 739.8753 2057.4284 1932.9436 112.7498 -205806.6341 17679.7652 0.0000 0.0000 34486.6769 -148797.1949 301.1807 -183283.8718 -148696.7507 300.8860 -55.4554 -26.4093 556320.2150 1.8495 1.7431 PRESSURE: 3752800 -7.29705 -67.3802 65.4638 -67.3807 -237.554 -57.5492 65.4648 -57.5477 60.0641 GPRESSURE: 3752800 -18.6992 -44.4291 108.587 -67.3467 -208.244 -26.7729 51.6356 26.3236 145.94 PRESSAVG: 3752800 28.3789 -55.6034 35.6222 -55.6033 -4.96672 -12.7802 35.6221 -12.7803 -20.7077 GPRESSAVG: 3752800 28.3841 -53.9583 33.7855 -57.3751 -6.21664 -11.804 36.8361 -12.2105 -19.6154 TIMING: 3752800 CPU: 11162.7, 0.00294901/step Wall: 11162.7, 0.00294901/step, 1.02167 hours remaining, 207.824219 MB of memory in use. ENERGY: 3752800 749.6703 2092.1798 1950.6321 132.3890 -206020.0637 17609.1619 0.0000 0.0000 34466.0435 -149019.9871 301.0005 -183486.0306 -148923.1367 300.3836 -61.5958 -27.0008 556807.6656 0.9015 0.8507 PRESSURE: 3753000 -101.232 29.4636 16.6387 29.4641 -14.1321 -199.373 16.6384 -199.37 40.5539 GPRESSURE: 3753000 -44.6639 37.2099 -22.0594 22.0605 45.981 -169.352 -19.9676 -120.961 24.5363 PRESSAVG: 3753000 -46.6968 -30.3524 10.1209 -30.3525 -19.3202 -16.8384 10.1209 -16.8383 64.2631 GPRESSAVG: 3753000 -46.2613 -31.2402 10.1283 -28.4449 -18.228 -16.075 10.3034 -17.843 63.1156 TIMING: 3753000 CPU: 11163.3, 0.00294803/step Wall: 11163.3, 0.00294803/step, 1.02117 hours remaining, 207.824219 MB of memory in use. ENERGY: 3753000 761.5858 2082.8571 1935.3846 113.3687 -205941.8430 17625.2930 0.0000 0.0000 34223.2873 -149200.0665 298.8805 -183423.3538 -149101.5979 299.5827 -24.9367 8.6178 557011.0724 -0.5846 -0.4579 PRESSURE: 3753200 -5.57093 1.22635 48.3067 1.2275 259.205 -179.753 48.3054 -179.752 -35.675 GPRESSURE: 3753200 -3.60928 33.0072 132.33 22.4032 253.098 -229.409 34.3502 -137.5 83.6032 PRESSAVG: 3753200 -32.6298 -81.8985 1.37682 -81.8986 38.2619 -69.5882 1.37691 -69.5882 7.37251 GPRESSAVG: 3753200 -32.0545 -80.1996 2.6267 -83.5333 36.7304 -69.5953 1.0764 -67.7439 8.6877 TIMING: 3753200 CPU: 11163.8, 0.00295279/step Wall: 11163.8, 0.00295279/step, 1.02265 hours remaining, 207.824219 MB of memory in use. ENERGY: 3753200 708.9613 2096.0015 1942.1781 120.0148 -206319.8140 17860.5980 0.0000 0.0000 34318.5654 -149273.4949 299.7126 -183592.0603 -149178.1883 299.3611 72.6529 111.0307 555009.5466 4.3349 4.4546 PRESSURE: 3753400 321.857 25.7452 73.9401 25.7445 252.877 -203.946 73.9393 -203.948 47.0851 GPRESSURE: 3753400 396.532 14.7255 17.8118 4.15514 267.438 -204.687 53.362 -125.006 60.5721 PRESSAVG: 3753400 -37.5059 -37.0988 -34.0864 -37.0987 94.4945 -31.9924 -34.0865 -31.9924 -50.7219 GPRESSAVG: 3753400 -38.1435 -37.541 -35.1078 -36.3949 94.752 -34.1141 -35.422 -33.491 -50.4128 TIMING: 3753400 CPU: 11164.4, 0.00294635/step Wall: 11164.4, 0.00294635/step, 1.02026 hours remaining, 207.824219 MB of memory in use. ENERGY: 3753400 771.7446 2146.5164 1928.8995 114.7532 -206536.0441 17999.2005 0.0000 0.0000 34375.8297 -149199.1002 300.2127 -183574.9300 -149105.3742 300.4727 207.2730 241.5140 555828.0712 2.0889 2.0653 PRESSURE: 3753600 -76.527 -83.9819 149.633 -83.9809 148.967 -94.1871 149.634 -94.1863 -73.5985 GPRESSURE: 3753600 -51.7643 -143.914 84.0505 -95.9586 162.767 -83.4198 178.679 -66.27 -14.3803 PRESSAVG: 3753600 51.7169 -14.8523 -14.0779 -14.8522 -13.9793 -3.27369 -14.0779 -3.27364 -19.7584 GPRESSAVG: 3753600 52.9199 -15.8471 -14.2477 -14.9886 -13.6087 -2.29031 -12.8043 -4.03768 -21.5092 TIMING: 3753600 CPU: 11165, 0.00293462/step Wall: 11165, 0.00293462/step, 1.01603 hours remaining, 207.824219 MB of memory in use. ENERGY: 3753600 704.6034 2079.7533 1942.0288 117.6682 -205927.5664 17614.4877 0.0000 0.0000 34364.2006 -149104.8244 300.1111 -183469.0250 -149009.6682 299.2666 -0.3863 32.2076 556629.7460 5.9931 5.9340 PRESSURE: 3753800 24.2501 -57.8837 128.737 -57.8839 128.174 -137.034 128.736 -137.036 21.3782 GPRESSURE: 3753800 81.0485 -176.084 103.527 58.7347 109.05 -180.968 150.324 -131.825 81.0148 PRESSAVG: 3753800 19.2121 -56.9846 -1.47908 -56.9847 53.3324 -23.5283 -1.47917 -23.5283 -35.1846 GPRESSAVG: 3753800 18.3835 -57.2544 -0.0697926 -56.8169 52.7268 -24.2256 0.608572 -23.2149 -34.1046 TIMING: 3753800 CPU: 11165.6, 0.00292907/step Wall: 11165.6, 0.00292907/step, 1.01395 hours remaining, 207.824219 MB of memory in use. ENERGY: 3753800 750.3282 2060.1484 1955.9559 114.9478 -206123.0700 17739.9971 0.0000 0.0000 34446.6298 -149055.0628 300.8310 -183501.6925 -148949.6947 300.1941 57.9342 90.3710 556982.0740 12.4533 12.3352 PRESSURE: 3754000 34.0999 0.788145 61.2089 0.789236 127.414 169.764 61.2075 169.766 -223.752 GPRESSURE: 3754000 67.8684 69.3905 72.5938 20.5441 186.225 205.264 41.3748 54.7843 -240.969 PRESSAVG: 3754000 32.707 -15.176 -6.23602 -15.1761 31.0339 -19.6096 -6.23602 -19.6096 -36.7518 GPRESSAVG: 3754000 32.5945 -15.4831 -7.52703 -14.0832 32.1417 -19.3238 -10.2486 -19.8245 -37.3798 TIMING: 3754000 CPU: 11166.2, 0.00292978/step Wall: 11166.2, 0.00292978/step, 1.01403 hours remaining, 207.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3754000 738.6087 2017.8743 1931.9096 106.8103 -206257.8830 17865.7073 0.0000 0.0000 34258.1309 -149338.8418 299.1848 -183596.9727 -149243.5040 299.7467 -20.7458 4.3749 557793.2467 8.9964 9.1188 PRESSURE: 3754200 22.9477 -37.917 98.6154 -37.9168 168.808 10.7944 98.6159 10.795 -166.821 GPRESSURE: 3754200 16.823 -27.3878 16.8674 -1.51746 204.519 27.9991 18.7593 48.2734 -96.5618 PRESSAVG: 3754200 3.30866 -71.5094 -8.50828 -71.5094 55.43 -22.0493 -8.50822 -22.0493 -24.196 GPRESSAVG: 3754200 4.12764 -70.5834 -7.91408 -72.2097 54.2345 -22.8342 -6.13692 -21.7199 -23.4886 TIMING: 3754200 CPU: 11166.8, 0.00296344/step Wall: 11166.8, 0.00296344/step, 1.02552 hours remaining, 207.824219 MB of memory in use. ENERGY: 3754200 756.7476 2036.8303 1955.8752 116.4400 -206231.6886 17870.4057 0.0000 0.0000 34211.7981 -149283.5917 298.7801 -183495.3898 -149186.4184 299.2412 8.3116 41.5934 557322.1436 11.5142 11.6245 PRESSURE: 3754400 -64.1622 -2.82186 56.805 -2.82355 -143.502 -121.478 56.8051 -121.478 -12.246 GPRESSURE: 3754400 -76.9044 -12.7222 49.9076 -64.999 -101.976 -87.283 108.922 -136.949 61.6083 PRESSAVG: 3754400 -49.8568 -20.9422 30.6024 -20.9423 82.4204 12.8947 30.6024 12.8946 -21.5382 GPRESSAVG: 3754400 -50.2929 -21.2875 31.6487 -22.4802 82.5097 14.1192 28.3941 11.9032 -21.5897 TIMING: 3754400 CPU: 11167.4, 0.00296857/step Wall: 11167.4, 0.00296857/step, 1.02713 hours remaining, 207.824219 MB of memory in use. ENERGY: 3754400 746.7037 2146.1256 1936.1664 109.9366 -206256.0822 17732.7005 0.0000 0.0000 34182.4390 -149402.0105 298.5237 -183584.4494 -149308.0799 299.0563 -73.3035 -39.0908 558312.8038 3.6751 3.5424 PRESSURE: 3754600 -50.391 236.006 -57.3605 236.006 4.07963 18.4469 -57.3625 18.4478 25.6496 GPRESSURE: 3754600 -26.5642 123.517 -107.191 300.962 20.0936 52.1019 -54.1069 -48.8325 74.3331 PRESSAVG: 3754600 -16.6352 -49.0865 4.78378 -49.0866 -18.4611 5.00933 4.78374 5.00923 74.3835 GPRESSAVG: 3754600 -15.6521 -50.1451 1.58 -45.9591 -19.4671 3.47816 7.04245 7.66423 74.0471 TIMING: 3754600 CPU: 11168, 0.00299572/step Wall: 11168, 0.00299572/step, 1.03635 hours remaining, 207.824219 MB of memory in use. ENERGY: 3754600 765.0240 2080.3514 1948.8465 119.9202 -206652.6598 17997.7902 0.0000 0.0000 34257.9373 -149482.7902 299.1831 -183740.7275 -149388.5939 299.5546 -6.8873 22.6208 557234.9357 13.0957 12.9759 PRESSURE: 3754800 169.8 -102.991 157.821 -102.992 33.7217 72.7189 157.822 72.7181 60.9249 GPRESSURE: 3754800 163.571 -111.313 -0.703473 -96.2322 0.0924869 77.1245 204.647 69.9926 192.596 PRESSAVG: 3754800 27.0981 -6.03727 -32.7994 -6.0372 -13.5128 17.6864 -32.7993 17.6864 -29.8755 GPRESSAVG: 3754800 26.209 -3.50541 -32.1256 -8.83349 -12.774 18.3329 -31.8262 16.815 -29.5455 TIMING: 3754800 CPU: 11168.6, 0.00297963/step Wall: 11168.6, 0.00297963/step, 1.03062 hours remaining, 207.824219 MB of memory in use. ENERGY: 3754800 757.6262 2005.2062 1978.7976 114.0331 -206843.9867 18049.8044 0.0000 0.0000 34443.3730 -149495.1462 300.8025 -183938.5192 -149401.9355 298.7116 88.1488 118.7532 555812.4662 -5.4301 -5.3702 PRESSURE: 3755000 14.6331 -75.6192 -114.206 -75.6187 72.7336 11.15 -114.206 11.1498 68.9477 GPRESSURE: 3755000 52.3255 3.83376 -161.344 -61.214 81.387 24.4801 -121.418 72.6785 127.153 PRESSAVG: 3755000 -38.2114 -24.2976 -7.56098 -24.2975 5.90545 -23.9104 -7.561 -23.9104 52.2968 GPRESSAVG: 3755000 -38.7352 -24.2434 -9.55624 -24.5613 6.46583 -22.2821 -8.16762 -24.3334 52.5776 TIMING: 3755000 CPU: 11169.2, 0.00293518/step Wall: 11169.2, 0.00293518/step, 1.01508 hours remaining, 207.824219 MB of memory in use. ENERGY: 3755000 761.0836 2067.2086 1933.9993 117.3723 -206454.3510 17967.7651 0.0000 0.0000 34309.8997 -149297.0224 299.6369 -183606.9221 -149201.1862 299.0777 52.1048 86.9552 555665.9585 6.6636 6.7694 PRESSURE: 3755200 -80.7674 -41.9407 32.5917 -41.9414 -28.893 -38.3019 32.5919 -38.3025 111.789 GPRESSURE: 3755200 -27.2688 0.718762 -5.89773 -4.5032 -9.59533 16.2622 170.922 -79.1149 136.829 PRESSAVG: 3755200 -23.9562 12.0656 4.31713 12.0656 7.45817 18.9288 4.31702 18.9288 57.7122 GPRESSAVG: 3755200 -24.1891 10.6569 7.02453 13.21 7.98342 17.6926 4.17304 18.4584 57.4441 TIMING: 3755200 CPU: 11169.7, 0.00292708/step Wall: 11169.7, 0.00292708/step, 1.01212 hours remaining, 207.824219 MB of memory in use. ENERGY: 3755200 755.0088 2073.0105 1917.9850 105.8463 -206490.8944 17989.9668 0.0000 0.0000 34307.4389 -149341.6381 299.6154 -183649.0770 -149245.4878 299.2495 0.7096 33.3216 555954.7089 13.7380 13.7462 PRESSURE: 3755400 -27.7551 -80.0845 -159.483 -80.0825 101.543 200.931 -159.483 200.931 -183.296 GPRESSURE: 3755400 21.7206 -111.051 -212.383 -67.1037 58.5829 195.903 -221.916 217.713 -88.7009 PRESSAVG: 3755400 2.9205 35.9706 -14.2237 35.9707 65.567 -7.93488 -14.2236 -7.93481 -9.82181 GPRESSAVG: 3755400 3.48221 35.7097 -14.1701 37.0568 64.9674 -6.9599 -13.8245 -6.85308 -9.56206 TIMING: 3755400 CPU: 11170.3, 0.00293511/step Wall: 11170.3, 0.00293511/step, 1.01473 hours remaining, 207.824219 MB of memory in use. ENERGY: 3755400 720.0260 2082.1649 1918.2116 108.8850 -206248.4687 17683.6144 0.0000 0.0000 34264.5216 -149471.0452 299.2406 -183735.5668 -149373.2916 298.8585 -36.5027 -2.7991 554741.8339 19.5552 19.6292 PRESSURE: 3755600 -111.392 51.737 27.3265 51.7357 -170.794 131.279 27.3269 131.278 -334.661 GPRESSURE: 3755600 -83.2405 -8.6741 21.1644 139.135 -209.252 133.37 51.3694 128.846 -225.911 PRESSAVG: 3755600 32.7978 18.823 -8.90225 18.8229 0.488297 -2.04698 -8.90232 -2.04697 -45.7489 GPRESSAVG: 3755600 30.8722 20.7453 -9.75124 19.5991 1.71203 -3.50543 -7.48784 -3.54638 -44.0878 TIMING: 3755600 CPU: 11170.9, 0.00294766/step Wall: 11170.9, 0.00294766/step, 1.01891 hours remaining, 207.824219 MB of memory in use. ENERGY: 3755600 758.7764 2061.8457 1918.8052 116.1155 -205926.9519 17553.1465 0.0000 0.0000 34169.1652 -149349.0975 298.4078 -183518.2627 -149253.9998 299.6353 -205.6155 -172.8009 558249.2960 -4.1543 -3.8345 PRESSURE: 3755800 -229.689 -4.3342 37.6844 -4.33329 62.7392 157.012 37.6852 157.011 -312.866 GPRESSURE: 3755800 -185.327 11.4643 27.381 -14.1384 111.607 172.132 12.742 154.815 -316.919 PRESSAVG: 3755800 -2.35922 10.6244 -8.96873 10.6244 24.8667 -41.5111 -8.96866 -41.511 -61.8893 GPRESSAVG: 3755800 -0.871648 9.90104 -9.12848 10.8585 24.9365 -39.5277 -11.0618 -41.9663 -63.282 TIMING: 3755800 CPU: 11171.5, 0.00293229/step Wall: 11171.5, 0.00293229/step, 1.01343 hours remaining, 207.824219 MB of memory in use. ENERGY: 3755800 734.3190 2064.5715 1922.1877 110.7847 -205991.6372 17502.3153 0.0000 0.0000 34286.4319 -149371.0270 299.4319 -183657.4589 -149263.2009 298.9331 -159.9386 -130.2132 557612.5376 -13.1273 -13.0724 PRESSURE: 3756000 -25.1212 -26.8398 9.38878 -26.8396 -93.0049 -188.444 9.38891 -188.443 -61.2687 GPRESSURE: 3756000 -14.0379 -43.6124 38.142 -33.0146 -67.8762 -221.384 11.5412 -178.876 -6.30115 PRESSAVG: 3756000 19.3606 -24.3476 28.7423 -24.3476 30.4021 31.2238 28.7423 31.2237 -16.7199 GPRESSAVG: 3756000 19.6691 -26.4347 30.6112 -24.1643 30.3629 29.402 27.3713 34.95 -16.6477 TIMING: 3756000 CPU: 11172.1, 0.00293436/step Wall: 11172.1, 0.00293436/step, 1.01398 hours remaining, 207.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3756000 756.0846 2060.6505 1936.9936 108.6323 -205961.5542 17589.5685 0.0000 0.0000 34177.6745 -149331.9502 298.4821 -183509.6247 -149234.8977 299.1898 -59.7982 -29.4051 556467.4857 11.0143 11.1281 PRESSURE: 3756200 20.9023 -73.4879 -5.69975 -73.4876 -169.798 73.7975 -5.70006 73.7985 60.7849 GPRESSURE: 3756200 125.9 -114.055 1.468 -65.3116 -155.044 67.0361 79.0069 38.2855 40.3718 PRESSAVG: 3756200 -15.8478 -41.5912 0.865343 -41.5912 -48.7639 -8.43467 0.865464 -8.43453 40.7335 GPRESSAVG: 3756200 -15.4907 -38.9073 0.159361 -44.1222 -49.1089 -7.99124 3.94666 -10.3447 40.8458 TIMING: 3756200 CPU: 11172.7, 0.00292565/step Wall: 11172.7, 0.00292565/step, 1.01081 hours remaining, 207.824219 MB of memory in use. ENERGY: 3756200 742.0427 2045.4831 1965.5275 119.0038 -206074.2412 17917.6949 0.0000 0.0000 34009.4892 -149275.0001 297.0133 -183284.4894 -149178.8286 299.1670 -29.3701 3.7425 558387.3033 -7.9594 -7.9179 LDB: ============= START OF LOAD BALANCING ============== 11176.2 LDB: ============== END OF LOAD BALANCING =============== 11176.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11176.2 LDB: ============= START OF LOAD BALANCING ============== 11176.5 LDB: Largest compute 4802 load 0.027859 is 23.6% of average load 0.118254 LDB: Average compute 0.001738 is 1.5% of average load 0.118254 LDB: TIME 11176.5 LOAD: AVG 0.118254 MAX 0.195206 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.375 MB LDB: TIME 11176.5 LOAD: AVG 0.118254 MAX 0.195206 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.375 MB LDB: TIME 11176.5 LOAD: AVG 0.118254 MAX 0.195206 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.375 MB LDB: ============== END OF LOAD BALANCING =============== 11176.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11176.5 PRESSURE: 3756400 -111.576 -41.8256 15.2717 -41.8265 187.685 47.2151 15.272 47.2162 -118.136 GPRESSURE: 3756400 -67.8067 56.6559 -19.8419 -7.22132 207.582 47.4937 -23.0289 47.5465 -71.8147 PRESSAVG: 3756400 -61.1642 -3.25282 6.2467 -3.25283 -6.82079 38.4065 6.24661 38.4066 19.2753 GPRESSAVG: 3756400 -61.1954 -4.29957 6.17406 -0.273131 -6.8518 38.7651 5.94795 38.7389 18.7921 TIMING: 3756400 CPU: 11173.3, 0.00297265/step Wall: 11173.3, 0.00297265/step, 1.02688 hours remaining, 208.023438 MB of memory in use. ENERGY: 3756400 774.3346 2077.3498 1969.5714 104.5460 -206297.4996 17932.8147 0.0000 0.0000 34075.9640 -149362.9191 297.5939 -183438.8831 -149263.7512 298.1921 -14.0087 22.6534 556082.7865 -16.2366 -16.4184 PRESSURE: 3756600 -102.08 -120.691 -233.026 -120.69 -136.955 -1.50469 -233.026 -1.50564 -177.599 GPRESSURE: 3756600 -77.8847 -53.9584 -201.628 -133.728 -88.8869 -33.9753 -301.633 6.3122 -154.731 PRESSAVG: 3756600 -20.9822 -3.64927 34.6663 -3.64936 37.2941 29.5257 34.6664 29.5256 -9.40161 GPRESSAVG: 3756600 -20.7916 -2.27727 33.4458 -5.89958 35.996 29.9869 35.3022 27.6576 -8.32326 TIMING: 3756600 CPU: 11173.9, 0.00296071/step Wall: 11173.9, 0.00296071/step, 1.0226 hours remaining, 208.023438 MB of memory in use. ENERGY: 3756600 783.9206 2120.2959 1921.1285 123.5103 -206156.0708 17644.4115 0.0000 0.0000 34399.6948 -149163.1091 300.4211 -183562.8039 -149060.4186 299.0011 -138.8778 -107.1676 556291.6341 2.3034 2.2937 PRESSURE: 3756800 32.284 -88.0479 130.742 -88.0467 -123.366 156.599 130.744 156.599 122.094 GPRESSURE: 3756800 58.5933 -155.943 128.616 -65.9434 -81.2294 189.59 86.3939 136.896 150.154 PRESSAVG: 3756800 -28.4733 -47.1573 -47.4107 -47.1572 3.80377 46.4443 -47.4106 46.4442 -20.477 GPRESSAVG: 3756800 -28.5958 -47.6206 -47.0299 -46.464 5.84218 47.0033 -49.7324 46.146 -21.9595 TIMING: 3756800 CPU: 11174.5, 0.0029677/step Wall: 11174.5, 0.0029677/step, 1.02485 hours remaining, 208.023438 MB of memory in use. ENERGY: 3756800 722.3425 2046.1448 1972.4609 117.1975 -206159.2072 17743.5785 0.0000 0.0000 34333.5566 -149223.9264 299.8435 -183557.4830 -149124.3774 299.4087 10.3376 42.5058 555492.5143 -15.0489 -14.9044 PRESSURE: 3757000 -196.38 142.067 12.4798 142.067 168.832 -50.0015 12.4782 -50.0007 25.1089 GPRESSURE: 3757000 -213.094 235.91 -19.7442 170.959 241.261 -76.1745 48.17 -130.199 72.3394 PRESSAVG: 3757000 -15.7779 13.1116 -12.8568 13.1116 8.30689 -3.5465 -12.8568 -3.54638 22.393 GPRESSAVG: 3757000 -15.0011 11.461 -11.4532 15.3651 7.22958 -3.81268 -11.8827 -3.97242 22.841 TIMING: 3757000 CPU: 11175.1, 0.00296953/step Wall: 11175.1, 0.00296953/step, 1.02531 hours remaining, 208.023438 MB of memory in use. ENERGY: 3757000 746.8749 2131.0425 1945.7722 93.2524 -206267.1626 17836.6574 0.0000 0.0000 34382.7063 -149130.8569 300.2727 -183513.5632 -149035.0701 299.5480 -0.8130 33.5023 556917.7055 4.9740 5.0232 PRESSURE: 3757200 17.2992 -52.1504 29.7626 -52.1489 55.6693 29.1313 29.7635 29.1302 65.4207 GPRESSURE: 3757200 72.6104 -33.0003 23.2706 -16.0204 46.8926 47.2628 61.6707 -30.3588 111.088 PRESSAVG: 3757200 20.2124 -2.83589 -14.889 -2.83595 -0.836314 16.4115 -14.889 16.4115 7.74457 GPRESSAVG: 3757200 19.6645 -1.91338 -15.7905 -3.7607 -0.626445 14.314 -16.1203 18.3508 7.87642 TIMING: 3757200 CPU: 11175.6, 0.00296552/step Wall: 11175.6, 0.00296552/step, 1.02376 hours remaining, 208.023438 MB of memory in use. ENERGY: 3757200 750.0089 2108.2855 1947.3336 119.0334 -206054.9266 17785.2009 0.0000 0.0000 34191.3489 -149153.7154 298.6016 -183345.0643 -149065.1608 299.5401 46.1297 76.8636 557904.9381 9.0402 8.9715 PRESSURE: 3757400 106.11 99.5808 -21.1442 99.5802 -91.0305 3.49872 -21.1433 3.49809 -209.398 GPRESSURE: 3757400 127.164 52.4477 14.3086 92.2417 -47.2061 -25.4628 -70.863 51.713 -173.006 PRESSAVG: 3757400 -6.88645 2.14538 38.1737 2.14539 31.6397 -1.79231 38.1738 -1.79218 -33.1903 GPRESSAVG: 3757400 -7.42933 0.309969 41.1965 3.21687 32.395 -0.492695 37.2457 -2.86469 -33.0116 TIMING: 3757400 CPU: 11176.2, 0.00297987/step Wall: 11176.2, 0.00297987/step, 1.02855 hours remaining, 208.023438 MB of memory in use. ENERGY: 3757400 733.7856 2160.8862 1954.2867 110.0968 -206197.4491 17714.5758 0.0000 0.0000 34442.2441 -149081.5739 300.7927 -183523.8180 -148986.9101 299.3388 -64.7729 -31.0160 557169.1903 -2.8124 -2.6820 PRESSURE: 3757600 -137.899 -23.666 28.6639 -23.6662 112.912 49.0924 28.6633 49.0919 -142.621 GPRESSURE: 3757600 -131.511 -50.3688 32.7356 46.4927 169.567 -17.3095 14.4796 86.9442 -109.796 PRESSAVG: 3757600 36.65 -37.4298 38.1993 -37.4299 54.2877 52.472 38.1993 52.4718 -89.77 GPRESSAVG: 3757600 37.6979 -34.9269 36.8086 -37.2893 54.9188 52.3854 39.402 51.4912 -91.5891 TIMING: 3757600 CPU: 11176.8, 0.00296088/step Wall: 11176.8, 0.00296088/step, 1.02183 hours remaining, 208.023438 MB of memory in use. ENERGY: 3757600 748.3580 2097.5128 1955.9940 110.5203 -206158.9498 17724.9038 0.0000 0.0000 34243.1311 -149278.5298 299.0538 -183521.6609 -149173.6543 299.5343 -55.8691 -23.9132 557465.8439 0.3892 0.3425 PRESSURE: 3757800 -96.5806 99.812 160.233 99.813 170.285 -24.0741 160.233 -24.0735 -13.0819 GPRESSURE: 3757800 -110.393 124.929 184.904 106.515 199.347 -8.01123 118.12 9.72763 75.9916 PRESSAVG: 3757800 32.5533 -24.7287 26.0734 -24.7286 -0.0795476 -18.669 26.0733 -18.6689 -54.2812 GPRESSAVG: 3757800 31.0417 -24.8505 24.4582 -25.2194 -0.463501 -18.6144 25.3539 -17.4219 -52.3075 TIMING: 3757800 CPU: 11177.4, 0.00296668/step Wall: 11177.4, 0.00296668/step, 1.02367 hours remaining, 208.023438 MB of memory in use. ENERGY: 3757800 694.2813 2072.5327 1975.0195 125.6115 -206228.9362 18007.1631 0.0000 0.0000 34096.7738 -149257.5543 297.7756 -183354.3281 -149161.3955 298.8050 20.2074 54.9818 558157.0819 -7.2692 -7.2431 PRESSURE: 3758000 343.596 -46.1841 20.7289 -46.1831 126.23 -77.9963 20.7286 -77.9956 180.067 GPRESSURE: 3758000 363.764 -117.953 -39.4144 -41.0912 191.475 -19.3132 12.039 -145.107 190.531 PRESSAVG: 3758000 17.7594 -10.9196 27.9628 -10.9196 7.84208 14.4588 27.9628 14.4589 -9.43695 GPRESSAVG: 3758000 18.3286 -11.2482 27.4209 -12.4054 8.27826 14.1071 29.4397 13.2717 -10.5859 TIMING: 3758000 CPU: 11178, 0.0029363/step Wall: 11178, 0.0029363/step, 1.01302 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3758000 740.9544 2136.1849 1921.1813 106.1274 -206890.3765 18140.8041 0.0000 0.0000 34289.4376 -149555.6868 299.4582 -183845.1245 -149464.1742 298.5377 216.6307 248.5901 556242.9094 5.3882 5.3403 PRESSURE: 3758200 31.1322 -43.8054 187.808 -43.8056 -88.8086 20.8145 187.808 20.8147 186.808 GPRESSURE: 3758200 50.0075 31.2964 135.652 -97.625 -73.138 64.181 138.053 -53.3208 246.924 PRESSAVG: 3758200 -5.45663 66.5435 25.2247 66.5435 13.5843 -28.6369 25.2248 -28.637 9.36714 GPRESSAVG: 3758200 -3.61998 67.2041 27.5603 67.6752 11.5891 -26.7511 24.6092 -27.4033 9.58574 TIMING: 3758200 CPU: 11178.6, 0.00291876/step Wall: 11178.6, 0.00291876/step, 1.00681 hours remaining, 208.023438 MB of memory in use. ENERGY: 3758200 734.2899 2107.8477 1954.4484 119.4862 -206272.9521 17733.6769 0.0000 0.0000 34014.3580 -149608.8451 297.0558 -183623.2031 -149508.3281 298.5783 43.0440 74.5980 555848.7537 5.8316 5.8516 PRESSURE: 3758400 -98.4035 -146.558 -44.6951 -146.558 -2.44194 -53.3873 -44.6956 -53.3878 64.2479 GPRESSURE: 3758400 -40.3551 -103.808 -59.6143 -182.838 16.5944 0.586589 -26.246 -125.394 100.518 PRESSAVG: 3758400 -5.7552 62.571 25.7132 62.571 -7.53943 -15.3163 25.7133 -15.3162 12.721 GPRESSAVG: 3758400 -5.57818 61.0932 24.6499 61.3769 -7.24269 -14.7017 26.7109 -16.4063 12.6485 TIMING: 3758400 CPU: 11179.2, 0.00291034/step Wall: 11179.2, 0.00291034/step, 1.00374 hours remaining, 208.023438 MB of memory in use. ENERGY: 3758400 761.0284 2023.8079 1944.2903 125.7710 -206412.9333 17844.9513 0.0000 0.0000 34030.1881 -149682.8963 297.1941 -183713.0844 -149587.7577 298.6146 -12.1992 25.5859 556514.0714 -0.1912 -0.0575 PRESSURE: 3758600 -255.771 -39.152 59.6254 -39.1512 -11.2911 67.4507 59.6251 67.4526 -44.3246 GPRESSURE: 3758600 -232.311 -43.2079 122.342 44.905 -45.5544 53.4841 48.6263 165.631 56.3877 PRESSAVG: 3758600 -7.88464 67.3228 -14.6834 67.3227 2.99649 28.3298 -14.6835 28.3298 -15.9482 GPRESSAVG: 3758600 -9.56797 66.8807 -15.0705 67.5749 4.23169 26.0901 -16.6747 29.2802 -15.0657 TIMING: 3758600 CPU: 11179.8, 0.00293497/step Wall: 11179.8, 0.00293497/step, 1.01208 hours remaining, 208.023438 MB of memory in use. ENERGY: 3758600 750.9451 2127.8310 1950.7286 110.1047 -206623.6287 17860.5527 0.0000 0.0000 34022.2484 -149801.2183 297.1248 -183823.4666 -149709.9187 298.1273 -103.7956 -73.8258 558221.9312 -6.9454 -6.8007 PRESSURE: 3758800 -76.1852 100.44 139.447 100.441 -11.2525 -62.1409 139.446 -62.141 -90.5144 GPRESSURE: 3758800 -96.283 81.9549 97.7012 39.6685 26.6732 -43.6853 188.095 -30.0105 -31.852 PRESSAVG: 3758800 -15.1455 38.9056 23.6783 38.9057 5.731 -46.5241 23.6784 -46.5239 38.2628 GPRESSAVG: 3758800 -14.2957 38.8016 22.6938 39.0426 5.68974 -44.2015 24.7865 -46.2925 37.4306 TIMING: 3758800 CPU: 11180.4, 0.00293777/step Wall: 11180.4, 0.00293777/step, 1.01288 hours remaining, 208.023438 MB of memory in use. ENERGY: 3758800 748.8823 2079.2526 1950.6535 107.0521 -206803.4761 17976.1615 0.0000 0.0000 34128.7397 -149812.7345 298.0548 -183941.4742 -149711.6836 297.9407 -59.3174 -33.8206 557434.2158 9.6161 9.6082 PRESSURE: 3759000 -162.622 -49.3561 -79.2905 -49.3564 -25.4875 22.2226 -79.2903 22.2211 -238.984 GPRESSURE: 3759000 -79.3333 14.811 -84.4709 -47.0939 -27.4039 -93.6747 -120.638 -5.13624 -233.65 PRESSAVG: 3759000 -49.217 2.31837 7.87966 2.31841 -1.19813 -14.7889 7.87958 -14.7889 80.3882 GPRESSAVG: 3759000 -49.1583 4.10211 6.659 2.49618 -0.506986 -16.4333 8.2248 -15.8573 79.9425 TIMING: 3759000 CPU: 11180.9, 0.00294309/step Wall: 11180.9, 0.00294309/step, 1.01455 hours remaining, 208.023438 MB of memory in use. ENERGY: 3759000 747.4685 2031.5553 1942.6013 124.2211 -206151.5657 17586.4718 0.0000 0.0000 34045.8208 -149673.4269 297.3306 -183719.2477 -149575.8372 298.2878 -142.3645 -113.4624 556883.9975 9.9910 10.0924 PRESSURE: 3759200 -213.134 37.3469 -71.4102 37.3473 9.69364 -10.4024 -71.4113 -10.4015 -112.351 GPRESSURE: 3759200 -215.494 149.537 -36.3047 9.54522 64.1394 -29.0413 -158.254 32.4458 -66.3842 PRESSAVG: 3759200 -38.3319 15.8569 33.1353 15.8568 -10.5568 -30.5584 33.1353 -30.5584 7.40939 GPRESSAVG: 3759200 -38.3083 16.0101 35.9892 16.4606 -11.4399 -31.0297 32.2005 -30.1204 8.6106 TIMING: 3759200 CPU: 11181.5, 0.00292992/step Wall: 11181.5, 0.00292992/step, 1.00985 hours remaining, 208.023438 MB of memory in use. ENERGY: 3759200 711.7900 2074.8410 1946.0291 108.0830 -206302.2887 17649.0296 0.0000 0.0000 34066.2706 -149746.2454 297.5092 -183812.5160 -149643.5883 297.7332 -105.2637 -72.5795 556823.6514 -13.8264 -13.7125 PRESSURE: 3759400 -266.392 25.9207 62.1258 25.9213 268.934 -61.7324 62.1252 -61.7325 -104.822 GPRESSURE: 3759400 -216.853 6.32431 -40.1978 147.867 257.572 -26.4146 174.935 -98.6968 -42.5518 PRESSAVG: 3759400 -24.2968 -14.9273 -34.6156 -14.9273 2.15395 6.22566 -34.6155 6.22567 23.4506 GPRESSAVG: 3759400 -24.0182 -15.8649 -35.3568 -13.2982 1.88386 6.71702 -35.1642 5.85374 23.0677 TIMING: 3759400 CPU: 11182.1, 0.00297327/step Wall: 11182.1, 0.00297327/step, 1.02462 hours remaining, 208.023438 MB of memory in use. ENERGY: 3759400 746.7084 2022.0879 1922.4851 103.2290 -206838.1869 17977.8483 0.0000 0.0000 34220.4520 -149845.3762 298.8557 -184065.8282 -149753.9734 297.7937 -34.0933 -0.6109 557411.6273 0.4359 0.3111 PRESSURE: 3759600 -163.133 56.1225 -46.9593 56.1223 215.02 -32.246 -46.9588 -32.2454 64.682 GPRESSURE: 3759600 -151.142 42.6665 -22.1259 134.148 285.966 -37.5056 -106.322 -43.7924 84.4654 PRESSAVG: 3759600 -37.2385 -37.6437 -9.88463 -37.6438 55.7084 -7.92117 -9.88465 -7.92113 8.94117 GPRESSAVG: 3759600 -36.5013 -34.2833 -9.47973 -41.7473 56.9662 -6.63361 -9.08855 -8.59653 6.7617 TIMING: 3759600 CPU: 11182.7, 0.00293882/step Wall: 11182.7, 0.00293882/step, 1.01259 hours remaining, 208.023438 MB of memory in use. ENERGY: 3759600 758.3129 2083.1868 1952.5057 109.3445 -206935.4539 17975.3685 0.0000 0.0000 34213.0110 -149843.7244 298.7907 -184056.7354 -149742.7184 297.5651 38.8562 73.0964 556384.9709 9.1370 9.0755 PRESSURE: 3759800 99.0003 103.649 -95.3455 103.65 69.441 17.4505 -95.3466 17.4498 193.888 GPRESSURE: 3759800 125.668 68.5179 -116.782 127.085 120.659 -30.035 -52.2987 42.453 226.158 PRESSAVG: 3759800 -50.6223 -14.7463 0.752041 -14.7464 30.3357 58.3979 0.752108 58.3979 5.85322 GPRESSAVG: 3759800 -52.7466 -14.8881 2.10989 -14.5229 30.2544 56.737 -1.00029 58.17 8.12407 TIMING: 3759800 CPU: 11183.3, 0.00296092/step Wall: 11183.3, 0.00296092/step, 1.02004 hours remaining, 208.023438 MB of memory in use. ENERGY: 3759800 764.1225 2044.7902 1978.4537 97.9340 -207157.0881 18238.2507 0.0000 0.0000 34191.1821 -149842.3549 298.6001 -184033.5370 -149751.3960 298.3075 120.7766 157.4949 556300.2193 -4.8111 -4.7894 PRESSURE: 3760000 107.714 -43.2738 8.8741 -43.2729 274.857 -9.39442 8.87418 -9.39611 -120.786 GPRESSURE: 3760000 215.498 -39.9675 30.817 -98.0174 267.533 40.7718 6.20812 -112.846 -117.417 PRESSAVG: 3760000 -59.2592 -66.2539 19.4559 -66.254 -15.3296 -12.839 19.4559 -12.8389 85.2412 GPRESSAVG: 3760000 -58.503 -67.1618 19.0565 -64.1269 -15.6054 -11.8951 20.8821 -13.8114 85.0338 TIMING: 3760000 CPU: 11183.9, 0.00294145/step Wall: 11183.9, 0.00294145/step, 1.01317 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3760000 747.9326 2093.0176 1935.3539 115.5049 -207082.0624 18281.8676 0.0000 0.0000 34094.2540 -149814.1317 297.7536 -183908.3857 -149716.4669 297.5380 87.2615 121.8710 557945.8709 3.5508 3.6418 PRESSURE: 3760200 105.129 97.6562 1.64705 97.6571 315.271 -125.689 1.64745 -125.687 -144.394 GPRESSURE: 3760200 147.975 56.9028 10.9551 115.568 268.749 -234.057 7.31878 -23.0669 -32.2622 PRESSAVG: 3760200 39.7308 -6.52313 -18.3731 -6.5232 -36.9846 -19.7041 -18.3731 -19.7042 9.5714 GPRESSAVG: 3760200 41.1518 -6.4961 -20.2395 -7.30016 -37.3647 -20.5141 -17.8243 -18.7106 8.36316 TIMING: 3760200 CPU: 11184.5, 0.00295434/step Wall: 11184.5, 0.00295434/step, 1.01744 hours remaining, 208.023438 MB of memory in use. ENERGY: 3760200 714.5149 2118.1341 1948.8878 110.7843 -206582.4582 18025.5331 0.0000 0.0000 34021.7370 -149642.8670 297.1203 -183664.6041 -149554.0187 297.9293 92.0021 128.1538 557345.6895 4.1058 4.0501 LDB: ============= START OF LOAD BALANCING ============== 11188 LDB: ============== END OF LOAD BALANCING =============== 11188 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11188 LDB: ============= START OF LOAD BALANCING ============== 11188.3 LDB: Largest compute 4802 load 0.027193 is 23.0% of average load 0.118233 LDB: Average compute 0.001735 is 1.5% of average load 0.118233 LDB: TIME 11188.3 LOAD: AVG 0.118233 MAX 0.19843 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.41 MB LDB: TIME 11188.3 LOAD: AVG 0.118233 MAX 0.19843 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.414 MB LDB: TIME 11188.3 LOAD: AVG 0.118233 MAX 0.19843 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.414 MB LDB: ============== END OF LOAD BALANCING =============== 11188.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11188.3 PRESSURE: 3760400 -299.006 -40.1244 106.241 -40.1243 -177.925 -65.3788 106.241 -65.3779 -283.31 GPRESSURE: 3760400 -234.978 2.20904 71.0482 -61.7681 -140.136 31.3832 181.007 -139.81 -302.181 PRESSAVG: 3760400 81.3011 32.5238 -33.3309 32.5238 -46.5339 -38.6161 -33.3308 -38.6162 14.5779 GPRESSAVG: 3760400 79.6628 29.1887 -34.0633 35.3484 -45.3005 -35.8678 -33.9766 -38.4507 15.2152 TIMING: 3760400 CPU: 11185.1, 0.00302313/step Wall: 11185.1, 0.00302313/step, 1.04096 hours remaining, 208.460938 MB of memory in use. ENERGY: 3760400 758.8643 2039.5857 1908.6222 116.5772 -205931.7234 17440.4832 0.0000 0.0000 34023.2021 -149644.3887 297.1331 -183667.5908 -149543.5210 297.5634 -253.4137 -225.7652 559743.7086 16.4483 16.5258 PRESSURE: 3760600 93.4119 71.4591 -45.7738 71.4595 -207.571 89.6272 -45.7733 89.6282 -87.9386 GPRESSURE: 3760600 89.9029 -1.4597 -53.8367 74.4447 -129.103 69.9424 -77.6322 56.155 -61.9047 PRESSAVG: 3760600 37.8568 -23.3231 0.841311 -23.3231 -78.3043 -13.2091 0.841272 -13.2091 21.8543 GPRESSAVG: 3760600 37.4991 -21.2715 0.774711 -24.9859 -77.9393 -17.9695 -0.635137 -11.4592 22.0557 TIMING: 3760600 CPU: 11185.7, 0.00298528/step Wall: 11185.7, 0.00298528/step, 1.02776 hours remaining, 208.660156 MB of memory in use. ENERGY: 3760600 778.0983 2107.6375 1953.3767 115.5663 -206672.6761 18020.2671 0.0000 0.0000 34064.2524 -149633.4778 297.4916 -183697.7302 -149546.7395 298.0706 -67.3658 -33.7015 558521.3721 -6.1977 -6.1282 PRESSURE: 3760800 -402.693 -102.569 15.6231 -102.568 -60.8905 -56.3011 15.6238 -56.3001 -29.342 GPRESSURE: 3760800 -343.503 -65.8118 46.2595 -88.3132 -46.6264 -13.0795 -3.22689 -78.7583 -12.5914 PRESSAVG: 3760800 37.1545 6.01323 -19.0475 6.01334 -9.92421 3.00001 -19.0476 3.00007 -39.4072 GPRESSAVG: 3760800 37.7771 4.33554 -15.7326 6.31738 -10.4739 5.58927 -19.1332 3.05061 -39.0295 TIMING: 3760800 CPU: 11186.3, 0.00297986/step Wall: 11186.3, 0.00297986/step, 1.02573 hours remaining, 208.660156 MB of memory in use. ENERGY: 3760800 719.2567 2083.4433 1959.2835 105.2128 -206429.8763 17812.8439 0.0000 0.0000 33980.5551 -149769.2810 296.7606 -183749.8361 -149674.3789 297.3515 -164.3086 -134.2402 559171.2451 -4.0590 -3.9088 PRESSURE: 3761000 -2.84443 -70.044 237.666 -70.0451 -52.6831 13.1656 237.665 13.1653 -333.678 GPRESSURE: 3761000 62.0906 -63.7955 212.946 -61.6693 -83.0451 -42.309 194.225 57.2697 -270.191 PRESSAVG: 3761000 65.5445 5.35724 24.4289 5.35729 -38.5816 -31.8726 24.429 -31.8726 10.4024 GPRESSAVG: 3761000 65.2505 7.2808 21.523 4.80603 -38.7034 -31.2279 25.5028 -33.7732 11.2859 TIMING: 3761000 CPU: 11186.9, 0.00298194/step Wall: 11186.9, 0.00298194/step, 1.02629 hours remaining, 208.660156 MB of memory in use. ENERGY: 3761000 736.8729 2098.0627 1953.7553 107.8412 -206541.0915 17671.7132 0.0000 0.0000 34384.7901 -149588.0560 300.2909 -183972.8462 -149491.0522 298.0505 -129.7353 -97.0485 558291.2094 12.4551 12.6110 PRESSURE: 3761200 402.96 55.7832 21.6268 55.7825 125.232 -152.803 21.6263 -152.802 172.47 GPRESSURE: 3761200 405.25 130.111 24.6013 65.7877 173.961 -88.5619 10.0731 -124.995 221.392 PRESSAVG: 3761200 -67.4113 -41.6021 27.6491 -41.6021 52.5468 23.4812 27.6492 23.4812 -6.72734 GPRESSAVG: 3761200 -66.1277 -40.9855 28.5049 -43.8807 51.8462 23.04 26.7634 23.2629 -8.00472 TIMING: 3761200 CPU: 11187.5, 0.00296328/step Wall: 11187.5, 0.00296328/step, 1.0197 hours remaining, 208.660156 MB of memory in use. ENERGY: 3761200 742.5853 2034.9599 1932.1808 109.9415 -207128.4910 18266.3064 0.0000 0.0000 34555.2720 -149487.2451 301.7798 -184042.5170 -149389.0331 298.8718 233.5539 266.8674 556322.8927 -7.1973 -7.4288 PRESSURE: 3761400 204.535 44.8307 23.0492 44.8314 138.2 -152.7 23.0494 -152.7 194.406 GPRESSURE: 3761400 231.977 95.3931 13.0281 29.9688 165.623 -150.371 82.846 -131.57 227.323 PRESSAVG: 3761400 -19.8001 9.4094 25.3428 9.40942 27.0138 -35.3825 25.3428 -35.3826 3.16185 GPRESSAVG: 3761400 -21.4532 8.56369 24.2869 10.5345 28.2873 -33.8125 26.8255 -35.1356 3.44265 TIMING: 3761400 CPU: 11188.1, 0.00296269/step Wall: 11188.1, 0.00296269/step, 1.01933 hours remaining, 208.660156 MB of memory in use. ENERGY: 3761400 697.0344 2086.7704 1948.6629 114.2400 -206657.9885 18151.4694 0.0000 0.0000 34109.9854 -149549.8259 297.8910 -183659.8113 -149447.8251 298.0236 179.0473 208.3079 556251.8534 3.4585 3.4256 PRESSURE: 3761600 261.697 71.7447 -27.1363 71.7436 -179.195 -7.71773 -27.1349 -7.71634 -56.3856 GPRESSURE: 3761600 276.592 -73.9231 -110.994 189.645 -77.2439 43.8219 11.4371 -149.125 -45.7993 PRESSAVG: 3761600 -10.041 -25.4817 19.2583 -25.4818 -38.4174 -55.8481 19.2584 -55.8482 54.3386 GPRESSAVG: 3761600 -8.66219 -25.2726 16.6977 -24.8966 -37.9979 -55.9693 20.2196 -55.9838 52.652 TIMING: 3761600 CPU: 11188.7, 0.00295675/step Wall: 11188.7, 0.00295675/step, 1.01712 hours remaining, 208.660156 MB of memory in use. ENERGY: 3761600 754.1622 2077.3172 1915.8964 114.2812 -206374.2439 17826.8812 0.0000 0.0000 34209.3744 -149476.3314 298.7590 -183685.7058 -149391.0985 298.5432 8.7056 51.1830 556819.0415 1.9601 1.9973 PRESSURE: 3761800 -295.038 -4.15409 65.2202 -4.15415 197.323 -90.0618 65.2204 -90.0604 -17.6455 GPRESSURE: 3761800 -234.216 -60.2227 -2.66869 -62.3548 235.295 -164.345 72.821 -86.7321 -16.859 PRESSAVG: 3761800 -47.3429 -12.7403 23.5673 -12.7402 -7.39146 -36.9522 23.5673 -36.9522 39.5523 GPRESSAVG: 3761800 -49.0103 -13.341 24.3052 -13.3126 -7.49743 -37.1785 20.9126 -37.9129 41.076 TIMING: 3761800 CPU: 11189.3, 0.00297728/step Wall: 11189.3, 0.00297728/step, 1.02402 hours remaining, 208.660156 MB of memory in use. ENERGY: 3761800 758.4838 2124.6678 1937.7750 120.0892 -206466.2605 17829.3245 0.0000 0.0000 34202.3503 -149493.5698 298.6976 -183695.9201 -149394.2170 298.6439 -38.4535 -5.2599 557476.4900 -5.0607 -5.1439 PRESSURE: 3762000 28.3946 -59.1168 -0.968414 -59.1185 -116.677 -16.2111 -0.968334 -16.2102 -14.48 GPRESSURE: 3762000 17.9508 -94.7446 129.867 37.8808 -39.3935 15.3831 -90.4294 2.35068 27.1167 PRESSAVG: 3762000 -60.1966 9.52054 -9.47769 9.52055 5.27931 18.306 -9.4777 18.306 56.5814 GPRESSAVG: 3762000 -59.375 9.78735 -7.21032 9.76674 5.01276 15.5217 -10.4087 18.1459 56.7213 TIMING: 3762000 CPU: 11189.9, 0.00300866/step Wall: 11189.9, 0.00300866/step, 1.03464 hours remaining, 208.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3762000 733.6982 2036.6116 1946.8616 114.0145 -206328.5564 17873.4443 0.0000 0.0000 34150.3065 -149473.6196 298.2431 -183623.9261 -149380.9547 298.3257 -34.2541 1.8913 556459.3426 0.5547 0.7863 PRESSURE: 3762200 25.0816 -132.675 -158.758 -132.675 -119.779 -50.8108 -158.759 -50.8092 -91.2413 GPRESSURE: 3762200 38.6071 -123.906 -154.031 -197.709 -53.3451 47.8124 -73.6373 -107.974 -66.7558 PRESSAVG: 3762200 8.09088 -31.1868 -8.77424 -31.1869 -20.4392 12.2538 -8.77422 12.2538 21.6582 GPRESSAVG: 3762200 8.12426 -31.7516 -9.34752 -31.7494 -21.5059 13.3976 -6.22085 14.6946 22.7511 TIMING: 3762200 CPU: 11190.5, 0.00299154/step Wall: 11190.5, 0.00299154/step, 1.02859 hours remaining, 208.660156 MB of memory in use. ENERGY: 3762200 757.4124 2019.6472 1913.3872 120.0754 -206092.0093 17751.7561 0.0000 0.0000 34136.5232 -149393.2079 298.1227 -183529.7311 -149296.2717 299.1210 -61.9795 -27.1646 557290.1644 3.1033 3.1231 PRESSURE: 3762400 -259.172 76.5684 244.164 76.5685 53.5061 79.4937 244.163 79.4948 203.17 GPRESSURE: 3762400 -221.789 -9.62743 240.925 172.45 64.8787 -34.0889 205.921 61.4892 252.304 PRESSAVG: 3762400 -51.8225 32.4394 28.3828 32.4393 21.2639 -30.7321 28.3828 -30.732 40.2371 GPRESSAVG: 3762400 -52.1569 32.937 27.8005 33.5307 23.6527 -30.5005 28.3298 -32.5593 39.0829 TIMING: 3762400 CPU: 11191, 0.00296374/step Wall: 11191, 0.00296374/step, 1.01887 hours remaining, 208.660156 MB of memory in use. ENERGY: 3762400 737.3692 2076.6312 1916.6243 116.8963 -206609.1096 18030.8698 0.0000 0.0000 34193.1609 -149537.5579 298.6174 -183730.7188 -149442.3448 298.2981 -0.8320 31.7981 556937.1762 3.2262 3.5262 PRESSURE: 3762600 304.968 -119.603 -153.595 -119.604 215.559 -7.52292 -153.595 -7.52251 124.928 GPRESSURE: 3762600 341.577 -118.081 -33.1139 -89.2119 296.682 -5.73534 -248.471 7.12072 99.9873 PRESSAVG: 3762600 -43.5728 4.34481 -11.3461 4.34481 -7.31641 7.97164 -11.3462 7.97168 27.3334 GPRESSAVG: 3762600 -42.6836 3.7764 -11.4004 5.17398 -7.13238 8.03869 -11.6295 8.65362 26.3709 TIMING: 3762600 CPU: 11191.6, 0.00298937/step Wall: 11191.6, 0.00298937/step, 1.02751 hours remaining, 208.660156 MB of memory in use. ENERGY: 3762600 726.7458 2091.5026 1931.7110 121.3983 -206652.3589 18095.5274 0.0000 0.0000 34366.9447 -149318.5291 300.1351 -183685.4738 -149224.4918 299.1984 215.1515 246.0821 556550.1431 -7.8519 -7.8150 PRESSURE: 3762800 -130.782 58.1085 -60.5583 58.1082 86.4721 -63.4945 -60.5562 -63.4936 182.539 GPRESSURE: 3762800 -51.0615 21.6292 -99.8793 99.4983 80.6124 -107.445 30.7594 -58.5688 199.343 PRESSAVG: 3762800 -11.3521 -13.443 -28.9507 -13.443 -27.2143 44.6624 -28.9507 44.6624 62.7845 GPRESSAVG: 3762800 -11.0971 -11.7948 -29.9095 -13.8952 -27.8502 43.9103 -29.1789 46.6009 63.2055 TIMING: 3762800 CPU: 11192.2, 0.00296222/step Wall: 11192.2, 0.00296222/step, 1.01802 hours remaining, 208.660156 MB of memory in use. ENERGY: 3762800 723.0155 2075.9254 1920.0859 110.8641 -206468.1115 17962.1976 0.0000 0.0000 34338.6730 -149337.3500 299.8882 -183676.0230 -149245.7827 298.8664 46.0764 76.2981 557098.1251 8.0727 8.0861 PRESSURE: 3763000 -63.3897 -5.97151 75.5884 -5.97117 97.9583 -46.198 75.5883 -46.1982 87.3355 GPRESSURE: 3763000 -23.3284 -74.834 61.8292 -26.8197 121.833 63.2395 137.658 -65.0829 125.856 PRESSAVG: 3763000 -57.4204 -19.538 8.67466 -19.5381 24.4138 44.5575 8.67466 44.5575 71.4789 GPRESSAVG: 3763000 -57.8895 -20.0288 7.83423 -21.0904 24.2952 43.7936 10.099 44.5911 71.9062 TIMING: 3763000 CPU: 11192.8, 0.00294805/step Wall: 11192.8, 0.00294805/step, 1.01298 hours remaining, 208.660156 MB of memory in use. ENERGY: 3763000 718.3265 2013.8101 1949.7759 106.3852 -206396.1984 17853.2521 0.0000 0.0000 34324.2860 -149430.3626 299.7625 -183754.6486 -149331.3519 298.6764 40.6347 74.7866 556496.7671 12.8241 12.7706 PRESSURE: 3763200 -32.9739 -111.431 -163 -111.432 218.343 143.559 -162.999 143.56 411.7 GPRESSURE: 3763200 71.7284 -153.529 -143.603 -120.411 264.282 161.761 -232.928 -1.50356 361.59 PRESSAVG: 3763200 -36.8946 -15.3312 -28.9226 -15.3312 23.6427 31.9353 -28.9226 31.9353 -16.5139 GPRESSAVG: 3763200 -37.5701 -16.6324 -26.946 -13.5162 23.7125 33.32 -29.7103 32.0222 -15.7151 TIMING: 3763200 CPU: 11193.4, 0.00293048/step Wall: 11193.4, 0.00293048/step, 1.00678 hours remaining, 208.660156 MB of memory in use. ENERGY: 3763200 734.1023 2101.5926 1917.5969 110.1789 -206674.1012 18163.2890 0.0000 0.0000 34256.6777 -149390.6638 299.1721 -183647.3415 -149298.0534 298.8621 199.0228 232.5336 556553.8238 -9.9219 -9.8576 PRESSURE: 3763400 12.0339 44.2175 192.543 44.2173 -194.79 116.938 192.543 116.938 -208.188 GPRESSURE: 3763400 -23.8065 130.876 216.16 44.0183 -153.34 137.278 80.0566 129.499 -118.284 PRESSAVG: 3763400 -16.6024 -46.8869 23.0909 -46.887 29.5592 29.3564 23.0909 29.3563 -1.82599 GPRESSAVG: 3763400 -16.7036 -45.4558 21.1663 -46.9205 29.8036 31.2933 23.9731 27.7001 -1.85186 TIMING: 3763400 CPU: 11194, 0.00296012/step Wall: 11194, 0.00296012/step, 1.0168 hours remaining, 208.660156 MB of memory in use. ENERGY: 3763400 727.5117 1993.0649 1948.3976 107.6415 -206466.3748 17922.9277 0.0000 0.0000 34275.5322 -149491.2993 299.3367 -183766.8315 -149384.4156 298.8885 -130.3145 -98.4770 557965.0093 3.7103 3.7494 PRESSURE: 3763600 132.119 -19.4821 16.4467 -19.4837 -148.997 86.7463 16.4462 86.7466 301.899 GPRESSURE: 3763600 170.929 -1.59731 20.8533 -58.7432 -100.064 80.6645 -33.0876 56.769 327.593 PRESSAVG: 3763600 -8.88373 -15.5622 5.46703 -15.5621 27.3884 51.3716 5.46701 51.3717 -49.5823 GPRESSAVG: 3763600 -8.39303 -16.2642 4.66196 -15.0298 26.7256 48.4695 4.81816 51.6625 -49.7889 TIMING: 3763600 CPU: 11194.6, 0.00296009/step Wall: 11194.6, 0.00296009/step, 1.01663 hours remaining, 208.660156 MB of memory in use. ENERGY: 3763600 721.0630 2065.8121 1923.8399 105.2129 -206396.1325 17855.8540 0.0000 0.0000 34417.8366 -149306.5140 300.5795 -183724.3506 -149202.6082 298.9368 95.0069 132.8196 557214.6430 -10.3592 -10.4854 PRESSURE: 3763800 -375.619 -42.175 -53.0581 -42.1759 62.4469 113.894 -53.0588 113.893 6.48908 GPRESSURE: 3763800 -341.125 -78.7653 -93.325 132.411 69.4749 172.561 11.3176 57.2071 62.0572 PRESSAVG: 3763800 11.7751 -65.1211 -21.9466 -65.1212 44.3632 -1.82589 -21.9467 -1.8258 14.5329 GPRESSAVG: 3763800 11.1409 -63.7601 -19.5376 -64.2021 44.0134 0.289792 -24.1129 -2.23588 16.2861 TIMING: 3763800 CPU: 11195.2, 0.00297521/step Wall: 11195.2, 0.00297521/step, 1.02165 hours remaining, 208.660156 MB of memory in use. ENERGY: 3763800 761.5754 2127.3255 1935.5905 122.7862 -206052.4628 17582.8098 0.0000 0.0000 34186.4543 -149335.9212 298.5588 -183522.3755 -149241.3802 298.8549 -102.2278 -69.8642 555197.8109 23.5571 23.8135 PRESSURE: 3764000 -482.08 -113.391 -4.72122 -113.391 -42.0818 -36.6024 -4.72241 -36.6015 -20.8443 GPRESSURE: 3764000 -419.247 -123.872 31.2772 -165.132 -1.45519 39.3728 -62.3528 -13.1061 -32.4049 PRESSAVG: 3764000 -50.4949 -22.2791 29.3385 -22.2791 18.8255 30.2385 29.3385 30.2386 25.8278 GPRESSAVG: 3764000 -49.2504 -25.5559 27.4261 -21.5277 18.4204 29.7019 29.3739 32.0778 25.5329 TIMING: 3764000 CPU: 11195.8, 0.00295307/step Wall: 11195.8, 0.00295307/step, 1.01389 hours remaining, 208.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3764000 764.6928 2083.8304 1941.2340 111.4138 -206051.2004 17714.1871 0.0000 0.0000 34065.7685 -149370.0738 297.5048 -183435.8423 -149269.5809 298.7610 -181.6689 -151.0358 559942.5321 -1.9472 -1.7657 PRESSURE: 3764200 -34.5327 -89.0303 -34.1754 -89.0282 8.39006 145.728 -34.1743 145.728 76.9804 GPRESSURE: 3764200 4.42372 -98.1247 -14.1904 -54.8881 39.0391 111.728 1.79992 134.106 101.697 PRESSAVG: 3764200 -41.8276 -31.3324 -13.4412 -31.3324 30.1232 -22.3874 -13.4413 -22.3874 -18.3382 GPRESSAVG: 3764200 -41.1003 -30.4515 -11.5723 -33.8204 31.0955 -22.2361 -13.5416 -23.6719 -19.9263 TIMING: 3764200 CPU: 11196.4, 0.00296944/step Wall: 11196.4, 0.00296944/step, 1.01934 hours remaining, 208.660156 MB of memory in use. ENERGY: 3764200 759.4561 2113.8426 1927.0536 110.2832 -206244.4933 17780.3799 0.0000 0.0000 34324.2660 -149229.2120 299.7624 -183553.4780 -149131.5570 299.3047 16.9459 48.3865 557190.8741 -10.0142 -9.9771 LDB: ============= START OF LOAD BALANCING ============== 11199.9 LDB: ============== END OF LOAD BALANCING =============== 11199.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11199.9 LDB: ============= START OF LOAD BALANCING ============== 11200.2 LDB: Largest compute 4802 load 0.027767 is 23.5% of average load 0.118296 LDB: Average compute 0.001731 is 1.5% of average load 0.118296 LDB: TIME 11200.2 LOAD: AVG 0.118296 MAX 0.196888 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.699 MB LDB: TIME 11200.2 LOAD: AVG 0.118296 MAX 0.196888 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.699 MB LDB: TIME 11200.2 LOAD: AVG 0.118296 MAX 0.196888 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.699 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11200.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11200.2 PRESSURE: 3764400 -353.568 -72.2195 -32.0323 -72.2182 -250.585 -46.7031 -32.0304 -46.7041 -124.683 GPRESSURE: 3764400 -341.479 18.3927 -23.4733 -74.1902 -185.164 -38.4449 7.87381 -47.7627 -104.518 PRESSAVG: 3764400 -23.4005 1.71345 -46.0481 1.71351 -5.58718 -2.46496 -46.048 -2.46509 -1.97924 GPRESSAVG: 3764400 -24.2571 4.05181 -46.2827 2.3536 -4.4596 -1.59563 -45.7326 -1.24714 -1.89098 TIMING: 3764400 CPU: 11197, 0.00300699/step Wall: 11197, 0.00300699/step, 1.03206 hours remaining, 206.929688 MB of memory in use. ENERGY: 3764400 775.3219 2064.6226 1939.7826 106.3572 -206006.6796 17569.2287 0.0000 0.0000 34266.3828 -149284.9838 299.2568 -183551.3666 -149188.5188 299.5412 -242.9454 -210.3871 559396.9861 -10.3223 -10.2026 PRESSURE: 3764600 182.549 35.2895 112.945 35.2881 34.465 116.53 112.947 116.53 -134.12 GPRESSURE: 3764600 207.456 -32.8486 107.985 87.5383 97.2611 94.2124 9.14622 125.724 -128.815 PRESSAVG: 3764600 -2.51116 15.5867 -2.41396 15.5867 87.5035 46.3002 -2.41396 46.3002 -39.5146 GPRESSAVG: 3764600 -2.91753 12.8254 -3.68003 16.6447 85.9122 45.1819 -2.51059 45.9833 -38.2964 TIMING: 3764600 CPU: 11197.6, 0.00295804/step Wall: 11197.6, 0.00295804/step, 1.0151 hours remaining, 206.929688 MB of memory in use. ENERGY: 3764600 714.9943 2097.7268 1936.2942 116.2649 -206239.5916 17830.1043 0.0000 0.0000 34160.6870 -149383.5201 298.3338 -183544.2071 -149291.5951 298.7239 27.6312 58.6343 556835.4951 15.1592 14.8994 PRESSURE: 3764800 281.391 -70.3661 220.236 -70.3664 92.3521 2.78009 220.236 2.77942 328.45 GPRESSURE: 3764800 257.549 -72.058 213.827 -96.8265 140.805 10.6953 142.909 6.66806 398.537 PRESSAVG: 3764800 0.873488 15.5688 58.7393 15.5688 45.0327 -34.6512 58.7393 -34.6512 -90.5724 GPRESSAVG: 3764800 0.730712 16.6535 58.9737 17.1534 46.006 -35.612 59.8263 -34.7858 -91.8501 TIMING: 3764800 CPU: 11198.2, 0.00296993/step Wall: 11198.2, 0.00296993/step, 1.01902 hours remaining, 206.929688 MB of memory in use. ENERGY: 3764800 761.4034 2042.5466 1947.3844 118.2552 -206815.2045 18293.3875 0.0000 0.0000 34243.2668 -149408.9606 299.0550 -183652.2274 -149314.1914 298.3669 234.0643 265.6302 556004.1675 -14.8887 -15.0378 PRESSURE: 3765000 -100.981 -93.0596 -81.0437 -93.0601 -183.851 -201.559 -81.044 -201.559 -215.69 GPRESSURE: 3765000 -90.8706 -78.7335 16.2312 -75.2933 -127.636 -189.765 -131.595 -185.585 -179.282 PRESSAVG: 3765000 2.52924 -26.5044 81.5272 -26.5044 54.7713 -34.4801 81.5272 -34.4802 -23.8128 GPRESSAVG: 3765000 2.83206 -28.1366 80.8851 -27.1457 56.5264 -32.6402 82.3855 -34.6933 -25.5392 TIMING: 3765000 CPU: 11198.8, 0.00295558/step Wall: 11198.8, 0.00295558/step, 1.01393 hours remaining, 206.929688 MB of memory in use. ENERGY: 3765000 778.0127 2031.4985 1927.6238 121.5674 -206171.8391 17559.8366 0.0000 0.0000 34213.0054 -149540.2948 298.7907 -183753.3002 -149448.4625 298.9170 -166.8407 -132.5960 557325.8606 11.1626 11.2731 PRESSURE: 3765200 -158.356 -35.5774 -12.7997 -35.5775 -185.802 -2.84858 -12.7998 -2.84935 -245.012 GPRESSURE: 3765200 -88.2865 -80.2401 -10.6273 -27.0603 -190.912 36.076 -24.4334 -18.5129 -217.512 PRESSAVG: 3765200 -17.57 -48.7745 79.5205 -48.7745 15.8008 -10.0928 79.5205 -10.0928 4.60053 GPRESSAVG: 3765200 -16.8939 -47.2672 80.4541 -48.8029 13.5418 -11.0994 78.5334 -11.1241 5.87071 TIMING: 3765200 CPU: 11199.3, 0.00295621/step Wall: 11199.3, 0.00295621/step, 1.01398 hours remaining, 206.929688 MB of memory in use. ENERGY: 3765200 757.1593 2054.0881 1952.8348 123.2268 -206366.0478 17716.3936 0.0000 0.0000 34151.6198 -149610.7254 298.2546 -183762.3452 -149510.7790 298.2991 -196.3901 -165.5701 557851.7331 0.9438 0.8396 PRESSURE: 3765400 268.959 3.94145 22.8288 3.94085 35.5425 -53.6226 22.8289 -53.6227 -151.631 GPRESSURE: 3765400 243.805 61.7043 9.33369 -74.8716 99.3043 -112.566 -12.0427 15.4155 -93.9538 PRESSAVG: 3765400 3.21483 -16.8781 75.4076 -16.8781 49.021 -20.328 75.4075 -20.3281 -44.2589 GPRESSAVG: 3765400 0.470863 -19.8783 72.4783 -16.938 49.9253 -20.6115 75.8533 -19.3968 -43.3079 TIMING: 3765400 CPU: 11199.9, 0.00292778/step Wall: 11199.9, 0.00292778/step, 1.00407 hours remaining, 206.929688 MB of memory in use. ENERGY: 3765400 704.5546 2041.4892 1910.9724 111.8572 -206563.7379 17987.2984 0.0000 0.0000 34153.4777 -149654.0884 298.2708 -183807.5661 -149560.1156 298.5503 50.9569 83.0518 557204.1507 2.6590 2.3628 PRESSURE: 3765600 12.3687 112.995 6.35903 112.997 -232.918 153.87 6.35946 153.87 -66.5963 GPRESSURE: 3765600 107.621 155.158 -30.8753 206.54 -207.477 128.401 -13.5926 131.875 -85.0103 PRESSAVG: 3765600 -8.68472 -12.675 28.9524 -12.6749 -16.4059 21.6538 28.9525 21.6538 17.6476 GPRESSAVG: 3765600 -7.79297 -10.1341 30.8433 -13.997 -15.6442 21.7262 30.4867 23.2491 16.0821 TIMING: 3765600 CPU: 11200.5, 0.00291842/step Wall: 11200.5, 0.00291842/step, 1.00069 hours remaining, 206.929688 MB of memory in use. ENERGY: 3765600 729.6571 2052.9343 1937.2200 106.9386 -206434.9516 17917.3155 0.0000 0.0000 34034.3109 -149656.5753 297.2301 -183690.8862 -149559.1995 297.7623 -95.7151 -61.6222 559436.4207 -2.4810 -2.4517 PRESSURE: 3765800 201.411 61.5033 94.3906 61.5038 -52.2271 -17.9208 94.3925 -17.9206 -92.5105 GPRESSURE: 3765800 165.841 100.044 101.716 95.8501 20.2329 -11.9354 108.428 5.96159 -35.3174 PRESSAVG: 3765800 -29.9094 34.7585 -22.6411 34.7586 10.7905 2.37442 -22.6411 2.37449 7.34166 GPRESSAVG: 3765800 -29.7898 34.309 -22.5541 34.8453 9.81222 2.6482 -23.507 2.74172 7.70488 TIMING: 3765800 CPU: 11201.1, 0.00292175/step Wall: 11201.1, 0.00292175/step, 1.00167 hours remaining, 206.929688 MB of memory in use. ENERGY: 3765800 714.8704 2078.0287 1906.4369 100.9695 -206438.4728 17896.6648 0.0000 0.0000 34191.6815 -149549.8210 298.6045 -183741.5025 -149457.5933 298.4007 18.8911 50.2523 559055.2000 -3.9257 -4.0909 PRESSURE: 3766000 -166.849 88.9893 -80.5268 88.9896 -10.7934 50.9991 -80.5259 50.9986 -48.9533 GPRESSURE: 3766000 -159.641 155.027 -132.051 68.4291 34.6265 19.9628 -116.04 47.3348 -5.51549 PRESSAVG: 3766000 -0.940124 4.37362 9.83857 4.37361 -29.8562 29.4851 9.83861 29.4851 21.6989 GPRESSAVG: 3766000 -1.98889 5.07291 10.0435 3.19843 -29.3932 30.6485 10.1284 25.8377 22.1107 TIMING: 3766000 CPU: 11201.7, 0.00292678/step Wall: 11201.7, 0.00292678/step, 1.00323 hours remaining, 206.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3766000 750.7643 2072.6245 1919.5570 99.2562 -206295.6685 17724.7224 0.0000 0.0000 34252.6968 -149476.0473 299.1373 -183728.7442 -149386.9007 298.3614 -75.5317 -43.5102 558022.5975 -3.0325 -3.0905 PRESSURE: 3766200 10.6818 95.238 -137.435 95.2383 -347.422 192.514 -137.435 192.514 85.4997 GPRESSURE: 3766200 -44.1032 101.839 -225.161 132.697 -275.567 166.122 -70.786 203.019 160.309 PRESSAVG: 3766200 -56.8419 -9.32515 43.2388 -9.32518 77.3371 -1.98737 43.2388 -1.98731 -41.139 GPRESSAVG: 3766200 -57.1393 -10.8366 41.6097 -7.0395 76.6027 -3.41341 42.5383 4.13527 -40.4707 TIMING: 3766200 CPU: 11202.3, 0.00295596/step Wall: 11202.3, 0.00295596/step, 1.01307 hours remaining, 206.929688 MB of memory in use. ENERGY: 3766200 784.4874 2083.6471 1926.4529 107.6411 -206425.2417 18094.9013 0.0000 0.0000 34138.1322 -149289.9797 298.1368 -183428.1119 -149191.9942 298.4381 -83.7468 -53.1207 557879.7486 -6.8813 -7.0024 PRESSURE: 3766400 -77.8056 -18.5896 24.9609 -18.5894 -157.518 192.818 24.9607 192.818 -137.658 GPRESSURE: 3766400 -62.4389 -38.6811 95.7531 3.34061 -95.0769 118.346 -4.78536 188.145 -121.037 PRESSAVG: 3766400 -53.9237 -53.6504 -30.4312 -53.6503 37.1007 31.2014 -30.4312 31.2014 38.9436 GPRESSAVG: 3766400 -53.4129 -54.0094 -29.2973 -52.0692 36.3947 33.3045 -29.1156 27.2063 38.9605 TIMING: 3766400 CPU: 11202.9, 0.00297062/step Wall: 11202.9, 0.00297062/step, 1.01793 hours remaining, 206.929688 MB of memory in use. ENERGY: 3766400 772.4733 2055.1472 1964.0285 106.3285 -206170.7709 17643.5352 0.0000 0.0000 34409.7217 -149219.5366 300.5087 -183629.2582 -149126.4258 299.2167 -124.3272 -92.8510 556335.0310 7.3736 7.3141 PRESSURE: 3766600 -34.5919 -80.3551 -134.631 -80.3551 42.3387 -154.629 -134.632 -154.628 -163.212 GPRESSURE: 3766600 18.1804 -74.5428 -106.699 -42.1361 99.9989 -213.408 -141.781 -86.034 -172.86 PRESSAVG: 3766600 -0.591282 -79.78 -48.4011 -79.78 17.2366 23.4098 -48.4011 23.4099 -35.845 GPRESSAVG: 3766600 -0.469593 -79.4114 -47.9215 -80.1069 17.9373 23.2867 -49.6138 22.4048 -37.0647 TIMING: 3766600 CPU: 11203.5, 0.00291801/step Wall: 11203.5, 0.00291801/step, 0.999744 hours remaining, 206.929688 MB of memory in use. ENERGY: 3766600 759.3392 2058.9324 1947.9833 103.3206 -205981.7457 17712.8316 0.0000 0.0000 34136.8527 -149262.4859 298.1256 -183399.3386 -149171.2534 299.6969 -51.8217 -18.2269 558749.9318 -6.3999 -6.5323 PRESSURE: 3766800 -145.21 -20.0312 -213.868 -20.0316 82.791 -23.9032 -213.868 -23.9031 3.20219 GPRESSURE: 3766800 -99.9937 -2.95151 -146.906 -46.4036 127.047 -27.3951 -273.726 -72.696 12.6511 PRESSAVG: 3766800 -15.7488 -30.2808 -69.7607 -30.2808 32.1886 -20.9246 -69.7607 -20.9246 -12.4458 GPRESSAVG: 3766800 -16.06 -30.6965 -70.8191 -29.9734 31.1829 -22.6533 -71.2247 -20.3669 -10.8246 TIMING: 3766800 CPU: 11204, 0.00292447/step Wall: 11204, 0.00292447/step, 1.0018 hours remaining, 206.929688 MB of memory in use. ENERGY: 3766800 740.1428 2059.9685 1947.3852 115.9695 -206263.3866 17715.7619 0.0000 0.0000 34341.3851 -149342.7736 299.9119 -183684.1587 -149258.3136 298.8147 -19.7388 13.2348 555707.4910 1.3314 1.4328 PRESSURE: 3767000 -59.9902 174.835 -2.42603 174.834 -102.162 -53.719 -2.42616 -53.7194 -233.894 GPRESSURE: 3767000 -7.28679 174.516 -49.8236 139.699 -116.999 -80.24 -74.9534 -26.4574 -171.839 PRESSAVG: 3767000 -21.0126 63.2476 -11.4146 63.2475 36.3624 -13.7276 -11.4145 -13.7275 -65.04 GPRESSAVG: 3767000 -20.5569 62.9251 -10.3894 63.3549 38.95 -13.0167 -10.2182 -13.5432 -67.6159 TIMING: 3767000 CPU: 11204.6, 0.00292564/step Wall: 11204.6, 0.00292564/step, 1.00203 hours remaining, 206.929688 MB of memory in use. ENERGY: 3767000 739.9017 2166.4335 1894.8574 109.7026 -206076.9579 17515.3201 0.0000 0.0000 34428.9843 -149221.7583 300.6769 -183650.7426 -149128.2883 299.3006 -132.0153 -98.7081 557169.7394 -16.5634 -16.4076 PRESSURE: 3767200 41.3982 18.716 -227.768 18.7166 148.857 192.733 -227.768 192.73 35.3224 GPRESSURE: 3767200 87.6805 -63.5142 -137.703 -33.2328 127.489 177.969 -302.155 116.991 103.307 PRESSAVG: 3767200 -38.3055 -19.927 -49.4905 -19.9269 69.387 44.1575 -49.4905 44.1574 -18.0465 GPRESSAVG: 3767200 -39.2487 -19.9598 -51.0268 -20.7135 68.7984 44.1981 -48.3554 42.4426 -16.4866 TIMING: 3767200 CPU: 11205.2, 0.00292209/step Wall: 11205.2, 0.00292209/step, 1.00065 hours remaining, 206.929688 MB of memory in use. ENERGY: 3767200 749.1370 2063.8512 1914.6746 118.9096 -206223.0906 17963.1341 0.0000 0.0000 34048.6371 -149364.7471 297.3552 -183413.3841 -149270.0457 300.0845 75.1924 106.1587 556056.6690 4.3450 4.3544 PRESSURE: 3767400 188.965 -61.18 -38.134 -61.1792 -195.412 -27.5148 -38.135 -27.5142 16.0334 GPRESSURE: 3767400 249.704 30.427 43.1098 -87.1625 -181.894 -144.443 -68.4918 58.9213 26.8737 PRESSAVG: 3767400 32.5673 -18.0827 -61.1188 -18.0827 -10.4566 31.0931 -61.1188 31.0931 -11.5195 GPRESSAVG: 3767400 33.0747 -15.5403 -58.9346 -17.3699 -11.0275 30.0602 -62.834 33.4285 -11.5598 TIMING: 3767400 CPU: 11205.8, 0.00292003/step Wall: 11205.8, 0.00292003/step, 0.999785 hours remaining, 206.929688 MB of memory in use. ENERGY: 3767400 755.8246 2115.0119 1937.0736 103.2394 -206584.2893 17929.0126 0.0000 0.0000 34359.0775 -149385.0497 300.0664 -183744.1272 -149287.6629 298.8908 3.1953 31.5614 556983.5999 3.5304 3.4958 PRESSURE: 3767600 -195.932 -42.6902 -131.953 -42.6899 -145.622 46.3369 -131.952 46.3372 60.5932 GPRESSURE: 3767600 -180.689 -19.2012 -91.8612 -33.3389 -75.3619 71.9183 -159.773 105.656 75.2375 PRESSAVG: 3767600 -12.1655 -94.3679 -76.2951 -94.3679 20.3287 54.7507 -76.2951 54.7508 -53.495 GPRESSAVG: 3767600 -12.0453 -96.3491 -77.7797 -94.8652 20.3982 57.6828 -76.2344 54.1525 -53.3429 TIMING: 3767600 CPU: 11206.4, 0.00292351/step Wall: 11206.4, 0.00292351/step, 1.00081 hours remaining, 206.929688 MB of memory in use. ENERGY: 3767600 736.8162 2061.3877 1950.6579 102.2225 -205635.7997 17462.7078 0.0000 0.0000 33985.9482 -149336.0595 296.8077 -183322.0077 -149248.0689 299.3196 -93.6537 -60.2710 557882.6345 -15.1106 -14.9967 PRESSURE: 3767800 132.05 125.304 -7.64766 125.304 -42.7727 -88.0841 -7.64692 -88.083 281.152 GPRESSURE: 3767800 169.205 70.962 -75.3376 155.809 -14.2369 -42.8348 77.9206 -95.8671 312.025 PRESSAVG: 3767800 -66.148 45.3036 -72.7352 45.3036 74.2252 -3.72564 -72.7353 -3.72566 18.5054 GPRESSAVG: 3767800 -67.8537 46.2264 -69.7881 42.8904 76.046 -3.53849 -73.4807 -3.69925 18.5949 TIMING: 3767800 CPU: 11207, 0.00292286/step Wall: 11207, 0.00292286/step, 1.00043 hours remaining, 206.929688 MB of memory in use. ENERGY: 3767800 751.1268 2032.7620 1921.7899 109.6987 -205993.2165 17957.1223 0.0000 0.0000 33938.5268 -149282.1899 296.3936 -183220.7166 -149183.6306 299.0578 123.4764 155.6643 557204.4170 8.8609 8.9291 PRESSURE: 3768000 -332.615 42.9538 -37.3029 42.9547 -239.059 42.4253 -37.3027 42.4245 -6.91666 GPRESSURE: 3768000 -349.356 18.1055 65.427 81.9946 -182.084 121.422 -37.3706 75.769 41.7629 PRESSAVG: 3768000 -16.5459 71.1061 -40.117 71.1061 -11.3088 29.1879 -40.117 29.1879 25.4161 GPRESSAVG: 3768000 -15.3205 67.917 -43.0099 74.9745 -12.7872 27.9838 -38.5625 30.0931 25.7194 TIMING: 3768000 CPU: 11207.5, 0.0029304/step Wall: 11207.5, 0.0029304/step, 1.00285 hours remaining, 206.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3768000 725.4072 2024.9995 1927.8080 123.5303 -205538.7253 17277.2675 0.0000 0.0000 34285.0482 -149174.6647 299.4199 -183459.7128 -149082.2641 299.2181 -192.8634 -163.2257 557454.5766 -0.8128 -0.7961 PRESSURE: 3768200 164.128 -51.2398 39.604 -51.2399 -82.9205 57.2446 39.6045 57.2457 -105.608 GPRESSURE: 3768200 155.983 -32.8264 2.22842 -85.6832 -3.31105 144.403 12.4409 -70.1007 -88.1832 PRESSAVG: 3768200 -54.7045 26.1864 14.5686 26.1864 35.862 55.3821 14.5686 55.3821 39.7445 GPRESSAVG: 3768200 -54.9783 30.0784 14.4197 23.475 36.1127 54.8338 16.0407 53.9061 39.28 TIMING: 3768200 CPU: 11208.1, 0.00293938/step Wall: 11208.1, 0.00293938/step, 1.00576 hours remaining, 206.929688 MB of memory in use. ENERGY: 3768200 751.2883 2130.0975 1936.5728 106.6958 -206197.8049 17737.1506 0.0000 0.0000 34389.7524 -149146.2476 300.3343 -183536.0000 -149047.3911 299.3045 -8.1335 21.4962 556527.2213 6.9673 6.8048 LDB: ============= START OF LOAD BALANCING ============== 11211.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11211.7 LDB: =============== DONE WITH MIGRATION ================ 11211.7 LDB: ============= START OF LOAD BALANCING ============== 11212 LDB: Largest compute 4802 load 0.025672 is 21.7% of average load 0.118233 LDB: Average compute 0.001732 is 1.5% of average load 0.118233 LDB: TIME 11212 LOAD: AVG 0.118233 MAX 0.196695 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.602 MB LDB: TIME 11212 LOAD: AVG 0.118233 MAX 0.196695 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.602 MB LDB: TIME 11212 LOAD: AVG 0.118233 MAX 0.196695 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.602 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11212 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11212 PRESSURE: 3768400 387.195 -177.238 -33.7168 -177.238 250.574 141.982 -33.7172 141.982 166.096 GPRESSURE: 3768400 458.728 -153.284 -75.2954 -136.494 274.043 233.332 -40.0677 57.037 170.301 PRESSAVG: 3768400 27.3759 27.4075 -10.0719 27.4075 -26.7031 12.5422 -10.0719 12.5422 -15.6259 GPRESSAVG: 3768400 28.0163 27.1487 -8.846 27.3468 -28.6453 13.5705 -11.5594 12.0096 -15.3425 TIMING: 3768400 CPU: 11208.7, 0.00299243/step Wall: 11208.7, 0.00299243/step, 1.02374 hours remaining, 207.371094 MB of memory in use. ENERGY: 3768400 722.2370 2091.3342 1934.0586 122.4984 -206486.6572 18172.3390 0.0000 0.0000 34331.1388 -149113.0511 299.8224 -183444.1899 -149020.2065 299.4315 267.9549 301.0239 556344.2346 -4.9844 -5.3238 PRESSURE: 3768600 -22.5355 -20.5319 -37.7322 -20.5316 154.846 12.859 -37.7331 12.8602 11.3075 GPRESSURE: 3768600 37.3474 -61.4632 -66.2324 -42.7156 193.436 45.5877 -43.9585 70.4861 17.2686 PRESSAVG: 3768600 20.3946 -2.16891 -40.9343 -2.16896 -66.6054 26.1615 -40.9343 26.1615 53.545 GPRESSAVG: 3768600 20.4556 -2.03034 -40.6582 -4.01878 -65.0567 24.2316 -40.4884 27.4979 52.5724 TIMING: 3768600 CPU: 11209.3, 0.00294604/step Wall: 11209.3, 0.00294604/step, 1.00771 hours remaining, 207.371094 MB of memory in use. ENERGY: 3768600 744.3873 2053.3250 1940.1078 122.6246 -206055.9970 17834.8312 0.0000 0.0000 34198.6100 -149162.1109 298.6650 -183360.7210 -149067.9671 299.0178 47.8725 82.6839 556224.0173 2.4447 2.6571 PRESSURE: 3768800 -141.716 -28.0763 -10.9474 -28.0774 112.851 44.5411 -10.9487 44.5398 -90.207 GPRESSURE: 3768800 -167.277 -46.2419 81.0139 -6.19083 151.044 1.61074 -53.5258 31.5402 -5.55482 PRESSAVG: 3768800 -11.5823 -5.85921 -5.71332 -5.85919 61.0716 -30.5678 -5.71339 -30.5679 16.6151 GPRESSAVG: 3768800 -11.5697 -7.02403 -7.09919 -1.60742 61.2653 -30.1095 -5.95161 -30.2759 16.7227 TIMING: 3768800 CPU: 11209.9, 0.00293463/step Wall: 11209.9, 0.00293463/step, 1.00365 hours remaining, 207.371094 MB of memory in use. ENERGY: 3768800 783.6737 2092.9978 1928.9777 115.5521 -206377.3631 17793.1419 0.0000 0.0000 34364.0193 -149299.0006 300.1095 -183663.0199 -149206.0653 298.7417 -39.6909 -7.2627 558061.3190 22.0348 22.1395 PRESSURE: 3769000 -269.136 7.57802 -53.9791 7.57771 -152.832 -150.749 -53.9785 -150.748 -121.178 GPRESSURE: 3769000 -239.095 43.6496 -90.0015 23.3293 -89.7325 -28.3031 -122.974 -185.888 -111.937 PRESSAVG: 3769000 -30.4541 8.19756 10.2532 8.19756 39.6278 39.6199 10.2532 39.6198 11.7115 GPRESSAVG: 3769000 -30.8445 12.0395 12.8643 3.7996 40.6505 40.7949 11.0476 38.6146 11.2582 TIMING: 3769000 CPU: 11210.5, 0.00293081/step Wall: 11210.5, 0.00293081/step, 1.00217 hours remaining, 207.371094 MB of memory in use. ENERGY: 3769000 770.0139 2038.9064 1920.0356 112.8029 -205957.4168 17616.7417 0.0000 0.0000 34164.5132 -149334.4031 298.3672 -183498.9163 -149236.7849 299.2830 -181.0486 -146.9216 558786.5830 6.9617 7.0214 PRESSURE: 3769200 51.6084 -103.512 -33.4629 -103.513 568.433 -94.4915 -33.4637 -94.492 41.6292 GPRESSURE: 3769200 95.5607 -122.652 -40.9495 57.3803 570.471 -59.8573 16.5588 -78.8002 103.792 PRESSAVG: 3769200 36.0148 62.1219 3.4148 62.1218 17.9051 -6.50781 3.41483 -6.50777 -48.484 GPRESSAVG: 3769200 37.4946 61.3896 3.65204 64.5004 17.6414 -6.23645 0.139741 -4.69839 -49.5121 TIMING: 3769200 CPU: 11211.1, 0.00295358/step Wall: 11211.1, 0.00295358/step, 1.0098 hours remaining, 207.371094 MB of memory in use. ENERGY: 3769200 732.3408 2106.3914 1913.4026 117.5968 -206887.5529 18295.2086 0.0000 0.0000 34412.0085 -149310.6042 300.5286 -183722.6127 -149216.5151 298.9335 220.5570 256.6080 555951.4339 1.8119 1.8746 PRESSURE: 3769400 55.9026 53.2552 -32.5787 53.256 95.4802 21.2259 -32.576 21.2257 -108.824 GPRESSURE: 3769400 92.6161 80.9759 -25.2942 -44.6428 137.239 -10.5413 -8.94846 96.9372 -90.2697 PRESSAVG: 3769400 120.101 -33.8398 -14.366 -33.8399 -37.2056 50.494 -14.3661 50.4941 -28.2828 GPRESSAVG: 3769400 118.084 -36.2457 -15.1472 -31.6978 -37.3857 51.448 -11.813 48.4734 -25.8232 TIMING: 3769400 CPU: 11211.7, 0.00296342/step Wall: 11211.7, 0.00296342/step, 1.013 hours remaining, 207.371094 MB of memory in use. ENERGY: 3769400 772.1686 2086.6720 1937.0772 104.9213 -206529.2486 18007.8068 0.0000 0.0000 34258.4905 -149362.1122 299.1879 -183620.6027 -149265.7795 298.7108 14.1861 46.5286 557391.7501 18.2041 18.2917 PRESSURE: 3769600 -155.661 -69.857 -25.1162 -69.858 -134.278 41.6194 -25.1163 41.619 77.9923 GPRESSURE: 3769600 -139.525 -20.5409 53.1233 -44.6855 -74.6672 -23.1532 -82.4174 -2.23697 87.7179 PRESSAVG: 3769600 75.089 -15.4858 15.4226 -15.4858 -30.7183 1.85614 15.4227 1.85612 -20.8317 GPRESSAVG: 3769600 75.9619 -15.9473 16.809 -15.1482 -30.8352 0.243325 14.3753 4.57889 -21.6922 TIMING: 3769600 CPU: 11212.3, 0.00299496/step Wall: 11212.3, 0.00299496/step, 1.02361 hours remaining, 207.371094 MB of memory in use. ENERGY: 3769600 763.5837 2115.4686 1940.7362 109.5604 -206145.1779 17720.8795 0.0000 0.0000 34133.9036 -149361.0457 298.0999 -183494.9493 -149267.9004 299.4394 -70.6489 -42.1580 556475.0654 7.8464 7.8115 PRESSURE: 3769800 30.3637 57.9379 -111.168 57.9372 239.814 -4.43263 -111.167 -4.43355 -232.926 GPRESSURE: 3769800 105.914 18.5873 -115.926 123.891 215.313 72.1187 -92.1494 2.42505 -170.487 PRESSAVG: 3769800 47.4353 -17.5397 -35.047 -17.5396 -81.6407 60.436 -35.0471 60.436 -13.0197 GPRESSAVG: 3769800 48.6522 -17.0409 -34.5089 -18.5579 -83.0175 60.328 -36.495 59.0602 -12.852 TIMING: 3769800 CPU: 11212.9, 0.00296319/step Wall: 11212.9, 0.00296319/step, 1.01259 hours remaining, 207.371094 MB of memory in use. ENERGY: 3769800 746.2265 2060.8515 1899.4410 117.4064 -206468.4896 17954.3256 0.0000 0.0000 34303.0308 -149387.2078 299.5769 -183690.2385 -149293.4034 298.6261 12.4174 50.2464 557959.1373 -15.7417 -15.7391 PRESSURE: 3770000 151.941 26.1677 53.0443 26.1673 -122.794 -83.8709 53.0451 -83.8704 -295.137 GPRESSURE: 3770000 182.469 59.5293 46.4491 94.9607 -90.407 -46.615 108.706 -137.209 -255.75 PRESSAVG: 3770000 59.8405 28.8997 -59.3047 28.8996 4.95488 0.193932 -59.3047 0.193919 -43.4388 GPRESSAVG: 3770000 58.385 29.5536 -60.3312 28.0693 6.09891 2.72072 -57.1729 -0.136207 -43.2116 TIMING: 3770000 CPU: 11213.5, 0.00294931/step Wall: 11213.5, 0.00294931/step, 1.00768 hours remaining, 207.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3770000 736.9599 2141.3737 1926.9981 107.7751 -206122.6141 17715.6804 0.0000 0.0000 34178.5555 -149315.2714 298.4898 -183493.8269 -149215.5491 298.3295 -88.6634 -54.5627 559456.0645 7.1189 7.0908 PRESSURE: 3770200 83.5716 210.375 -82.0519 210.375 29.5923 239.327 -82.0525 239.329 -17.2762 GPRESSURE: 3770200 174.471 92.8181 -75.0271 164.61 65.827 95.1478 -101.194 297.506 -44.4507 PRESSAVG: 3770200 7.73839 -7.35512 -38.97 -7.35506 18.431 -5.56172 -38.97 -5.56162 -0.992707 GPRESSAVG: 3770200 9.34957 -8.08338 -40.1658 -6.08887 17.2022 -10.1193 -39.4746 -3.48439 -1.4973 TIMING: 3770200 CPU: 11214, 0.00293424/step Wall: 11214, 0.00293424/step, 1.00237 hours remaining, 207.371094 MB of memory in use. ENERGY: 3770200 761.0013 2073.4864 1888.1123 102.0978 -206390.6186 18067.6530 0.0000 0.0000 34207.7650 -149290.5027 298.7449 -183498.2678 -149182.4386 299.1995 31.9626 65.2826 558361.2736 8.3922 8.3515 PRESSURE: 3770400 -163.176 84.673 -32.2031 84.6728 -288.107 -100.862 -32.2028 -100.861 -265.157 GPRESSURE: 3770400 -146.104 88.7778 2.08836 130.422 -265.753 -128.747 -98.9643 -48.1692 -193.369 PRESSAVG: 3770400 75.8591 22.9372 -6.31589 22.9373 -26.6234 16.2019 -6.31578 16.2019 -64.8236 GPRESSAVG: 3770400 74.7217 21.9077 -3.14591 22.853 -26.1378 17.9726 -6.80948 13.5952 -63.9157 TIMING: 3770400 CPU: 11214.6, 0.00295295/step Wall: 11214.6, 0.00295295/step, 1.00859 hours remaining, 207.371094 MB of memory in use. ENERGY: 3770400 754.6017 2056.2748 1909.6922 101.0464 -206371.0965 17619.5143 0.0000 0.0000 34563.8831 -149366.0841 301.8550 -183929.9671 -149267.2142 299.1375 -238.8134 -201.7422 559077.3341 -5.1959 -5.1106 PRESSURE: 3770600 -143.058 45.5587 197.695 45.5589 34.1814 97.5803 197.695 97.579 -184.377 GPRESSURE: 3770600 -192.48 46.0093 268.504 41.2575 111.842 54.0904 188.588 178.009 -109.426 PRESSAVG: 3770600 5.70772 1.19945 -28.1757 1.19944 71.1817 36.0875 -28.1757 36.0874 -81.7959 GPRESSAVG: 3770600 6.52188 5.33208 -33.1386 -3.4739 70.5638 37.251 -25.4404 35.8681 -81.8628 TIMING: 3770600 CPU: 11215.2, 0.00296084/step Wall: 11215.2, 0.00296084/step, 1.01113 hours remaining, 207.371094 MB of memory in use. ENERGY: 3770600 759.0113 2072.7611 1926.0167 123.8624 -206201.0678 17883.4917 0.0000 0.0000 34128.5905 -149307.3340 298.0535 -183435.9245 -149213.9386 299.2888 -97.7513 -63.3545 559448.9724 -1.6355 -1.5924 PRESSURE: 3770800 216.357 78.229 -8.50691 78.2278 108.939 96.064 -8.50595 96.0628 104.078 GPRESSURE: 3770800 256.698 53.5307 24.6488 91.6764 143.621 117.326 -81.3141 134.206 112.117 PRESSAVG: 3770800 33.0657 32.5122 -8.13928 32.5121 -29.3836 41.1389 -8.13929 41.1388 -39.0825 GPRESSAVG: 3770800 32.491 29.8774 -7.23991 37.1711 -29.2244 39.8681 -8.34416 41.9008 -38.7279 TIMING: 3770800 CPU: 11215.8, 0.00295072/step Wall: 11215.8, 0.00295072/step, 1.00751 hours remaining, 207.371094 MB of memory in use. ENERGY: 3770800 742.9981 2068.1522 1930.1964 107.2091 -206228.7511 17934.2843 0.0000 0.0000 34269.6623 -149176.2488 299.2855 -183445.9111 -149082.4358 299.2439 143.1248 170.8119 557973.1499 -11.8001 -11.8204 PRESSURE: 3771000 109.466 -237.371 -61.15 -237.372 141.318 -59.7528 -61.1506 -59.7522 -177.771 GPRESSURE: 3771000 188.482 -283.688 -110.837 -244.729 131.252 -69.1743 21.395 -83.6857 -133.133 PRESSAVG: 3771000 -19.8696 -27.0984 -21.6376 -27.0984 59.1156 -22.36 -21.6377 -22.36 -19.1384 GPRESSAVG: 3771000 -19.3794 -27.1546 -21.6287 -27.4329 58.6846 -20.3318 -21.9057 -23.6313 -18.8061 TIMING: 3771000 CPU: 11216.4, 0.00298424/step Wall: 11216.4, 0.00298424/step, 1.01879 hours remaining, 207.371094 MB of memory in use. ENERGY: 3771000 801.0534 2041.9060 1949.0235 112.8049 -206272.1218 17841.1648 0.0000 0.0000 34263.4340 -149262.7352 299.2311 -183526.1692 -149165.0532 299.4089 24.3377 62.2005 557499.1519 6.7025 6.8330 PRESSURE: 3771200 96.8595 -17.151 47.2906 -17.1521 322.703 121.82 47.2902 121.819 253.912 GPRESSURE: 3771200 134.95 -7.00573 -6.59385 85.1616 397.339 129.351 105.238 132.51 253.668 PRESSAVG: 3771200 -18.8955 -25.6818 -2.75828 -25.6818 25.912 -4.62994 -2.75825 -4.62975 16.8168 GPRESSAVG: 3771200 -19.2066 -27.2143 -3.95374 -26.5954 26.9312 -5.79787 -2.30799 -2.79358 16.3182 TIMING: 3771200 CPU: 11217, 0.00294764/step Wall: 11217, 0.00294764/step, 1.00613 hours remaining, 207.371094 MB of memory in use. ENERGY: 3771200 749.5501 2090.8194 1924.4018 109.6346 -206907.4343 18278.2999 0.0000 0.0000 34303.3022 -149451.4263 299.5793 -183754.7285 -149361.3055 298.7831 224.4916 261.9856 555666.8002 7.9444 8.0143 PRESSURE: 3771400 -272.927 29.2123 82.3255 29.2112 94.828 -78.327 82.3267 -78.3277 -77.2942 GPRESSURE: 3771400 -235.033 26.4786 -12.869 11.4395 105.204 -71.1571 96.7266 -73.9687 -26.1558 PRESSAVG: 3771400 -52.8317 27.5307 -23.9075 27.5307 39.2944 -65.634 -23.9075 -65.6341 38.876 GPRESSAVG: 3771400 -53.4117 28.0499 -20.6634 28.2545 38.9314 -65.3663 -24.858 -67.4329 39.3522 TIMING: 3771400 CPU: 11217.6, 0.00293866/step Wall: 11217.6, 0.00293866/step, 1.0029 hours remaining, 207.371094 MB of memory in use. ENERGY: 3771400 742.1755 2059.3422 1911.0343 105.3535 -206339.6060 17837.1080 0.0000 0.0000 34199.8948 -149484.6977 298.6762 -183684.5925 -149392.4368 298.8017 -85.1311 -51.9950 558026.1539 8.4462 8.2906 PRESSURE: 3771600 -61.2131 -10.8726 54.813 -10.8724 41.3954 164.753 54.8115 164.751 -110.985 GPRESSURE: 3771600 -11.5368 -73.784 42.2321 91.5011 57.8374 152.64 29.3666 106.992 -78.4396 PRESSAVG: 3771600 -16.2061 22.9701 24.8728 22.97 0.258811 -51.6519 24.8729 -51.652 10.9768 GPRESSAVG: 3771600 -17.0829 24.7921 21.8195 23.9014 0.258025 -52.0831 27.4407 -49.4029 11.4999 TIMING: 3771600 CPU: 11218.2, 0.00295334/step Wall: 11218.2, 0.00295334/step, 1.00774 hours remaining, 207.371094 MB of memory in use. ENERGY: 3771600 729.5236 2060.9636 1918.7443 116.5965 -206476.7171 17877.2151 0.0000 0.0000 34280.6231 -149493.0508 299.3812 -183773.6739 -149401.4354 299.1515 -43.6010 -10.7130 557096.3590 -1.6568 -1.7750 PRESSURE: 3771800 222.035 -95.3054 -19.4195 -95.3058 47.2362 -60.2899 -19.4206 -60.2895 115.905 GPRESSURE: 3771800 207.104 -114.703 -44.936 -157.166 142.739 -9.99107 34.2681 -108.955 131.03 PRESSAVG: 3771800 -20.6189 8.75697 31.8694 8.75693 50.5041 -26.1445 31.8693 -26.1444 -32.9 GPRESSAVG: 3771800 -19.6303 9.33331 34.1972 6.29898 49.7194 -26.9931 29.5672 -26.055 -32.7789 TIMING: 3771800 CPU: 11218.8, 0.00295297/step Wall: 11218.8, 0.00295297/step, 1.00746 hours remaining, 207.371094 MB of memory in use. ENERGY: 3771800 715.1140 2091.8166 1934.4912 95.7404 -206522.6885 17960.1692 0.0000 0.0000 34261.9177 -149463.4394 299.2178 -183725.3571 -149365.7469 298.2153 128.3919 160.2910 556513.1629 -1.0049 -0.8966 PRESSURE: 3772000 -304.134 19.5112 -131.704 19.5109 -56.2259 8.54007 -131.704 8.53964 -87.0264 GPRESSURE: 3772000 -264.939 125.209 -126.041 -32.5623 -82.6624 -34.8831 -146.393 40.8603 -17.4633 PRESSAVG: 3772000 34.8288 -20.7236 -3.52215 -20.7236 7.49134 6.85704 -3.52217 6.85707 -54.416 GPRESSAVG: 3772000 35.3642 -21.1414 -3.43906 -20.8309 6.93421 7.30897 -3.17391 6.21301 -54.6159 TIMING: 3772000 CPU: 11219.4, 0.0029422/step Wall: 11219.4, 0.0029422/step, 1.00362 hours remaining, 207.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3772000 761.9657 2072.7679 1939.3010 118.6283 -206377.2961 17858.3427 0.0000 0.0000 34214.9948 -149411.2957 298.8081 -183626.2905 -149318.3956 298.3236 -149.1287 -121.6881 558292.8338 -4.0319 -4.1058 PRESSURE: 3772200 -51.365 -188.79 212.579 -188.79 -242.34 36.5212 212.58 36.5204 -277.474 GPRESSURE: 3772200 6.29126 -188.912 201.214 -194.625 -212.386 41.169 215.767 91.0852 -264.944 PRESSAVG: 3772200 0.664169 -50.6555 45.8128 -50.6555 -1.70676 -46.4084 45.8129 -46.4083 0.208365 GPRESSAVG: 3772200 0.0160623 -51.6404 45.3849 -47.9952 -0.799094 -45.3336 46.8885 -46.7548 0.653837 TIMING: 3772200 CPU: 11219.9, 0.00294007/step Wall: 11219.9, 0.00294007/step, 1.00273 hours remaining, 207.371094 MB of memory in use. ENERGY: 3772200 780.6715 2066.8434 1917.5856 97.1985 -205954.7077 17606.5730 0.0000 0.0000 34236.6126 -149249.2231 298.9969 -183485.8357 -149152.2210 299.1493 -190.3930 -157.0128 558469.6803 -0.2781 -0.0431 LDB: ============= START OF LOAD BALANCING ============== 11223.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11223.5 LDB: =============== DONE WITH MIGRATION ================ 11223.5 LDB: ============= START OF LOAD BALANCING ============== 11223.8 LDB: Largest compute 4802 load 0.026653 is 22.5% of average load 0.118287 LDB: Average compute 0.001720 is 1.5% of average load 0.118287 LDB: TIME 11223.8 LOAD: AVG 0.118287 MAX 0.197836 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.598 MB LDB: TIME 11223.8 LOAD: AVG 0.118287 MAX 0.197836 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.598 MB LDB: TIME 11223.8 LOAD: AVG 0.118287 MAX 0.197836 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.598 MB LDB: ============== END OF LOAD BALANCING =============== 11223.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11223.8 PRESSURE: 3772400 226.725 -71.775 272.945 -71.7754 78.661 123.959 272.945 123.959 152.127 GPRESSURE: 3772400 282.653 -119.064 300.009 -65.7277 80.2748 170.887 283.373 161.718 188.92 PRESSAVG: 3772400 -0.717439 -35.6185 9.3712 -35.6186 64.0777 12.6866 9.37115 12.6864 -26.2504 GPRESSAVG: 3772400 0.197115 -34.9732 11.7835 -36.6533 63.0919 12.3548 6.82849 12.6136 -25.9601 TIMING: 3772400 CPU: 11220.6, 0.0030105/step Wall: 11220.6, 0.0030105/step, 1.02658 hours remaining, 207.824219 MB of memory in use. ENERGY: 3772400 777.3966 2054.8705 1925.2528 113.2524 -206483.6888 18096.6197 0.0000 0.0000 34257.7111 -149258.5858 299.1811 -183516.2969 -149167.2016 298.7206 152.5045 183.9494 556945.9408 12.3699 12.4430 PRESSURE: 3772600 -101.992 146.335 -18.1695 146.335 -255.471 117.548 -18.1705 117.548 -7.50855 GPRESSURE: 3772600 13.8875 140.558 -21.3295 150.987 -246.967 144.295 -19.1312 -21.7263 -11.4771 PRESSAVG: 3772600 -24.1983 12.2482 -7.22144 12.2482 45.7641 -12.4183 -7.22143 -12.4183 -1.14547 GPRESSAVG: 3772600 -24.2113 10.5639 -9.60338 13.2978 46.8419 -15.061 -5.12786 -12.1169 -2.17829 TIMING: 3772600 CPU: 11221.1, 0.00295788/step Wall: 11221.1, 0.00295788/step, 1.00847 hours remaining, 207.824219 MB of memory in use. ENERGY: 3772600 729.5725 2004.6811 1937.5185 106.9650 -206111.6683 17894.0674 0.0000 0.0000 34024.9479 -149413.9159 297.1483 -183438.8638 -149319.6905 298.0736 -121.6574 -81.5188 557757.6446 6.8068 6.8175 PRESSURE: 3772800 272.425 -95.2705 14.9215 -95.2713 261.293 -133.637 14.9216 -133.638 -1.42512 GPRESSURE: 3772800 326.748 -120.12 8.42678 -27.3523 274.705 -109.159 66.1066 -133.305 35.2838 PRESSAVG: 3772800 -22.1447 11.9062 -13.6444 11.9062 16.3229 -94.7449 -13.6444 -94.745 2.904 GPRESSAVG: 3772800 -23.2388 15.1722 -12.6503 10.6631 15.9824 -92.186 -15.3147 -94.9266 4.03451 TIMING: 3772800 CPU: 11221.7, 0.00294947/step Wall: 11221.7, 0.00294947/step, 1.00544 hours remaining, 207.824219 MB of memory in use. ENERGY: 3772800 721.1822 2090.1709 1933.0040 114.6225 -206554.5091 18095.5277 0.0000 0.0000 34136.2209 -149463.7810 298.1201 -183600.0019 -149365.0008 298.2402 177.4311 212.2454 557176.5511 -0.9726 -1.0740 PRESSURE: 3773000 -69.3492 -27.0638 -114.062 -27.0629 179.218 -23.7799 -114.061 -23.7801 288.472 GPRESSURE: 3773000 -50.3661 -111.391 -75.2715 -11.207 181.144 -53.9034 -134.459 -67.0054 360.066 PRESSAVG: 3773000 78.8772 -32.4476 -31.317 -32.4477 -28.3604 -27.2865 -31.3169 -27.2864 -32.5042 GPRESSAVG: 3773000 78.7319 -33.1286 -31.9183 -32.0863 -27.9059 -30.4368 -30.5721 -26.5987 -32.1462 TIMING: 3773000 CPU: 11222.3, 0.00294012/step Wall: 11222.3, 0.00294012/step, 1.00209 hours remaining, 207.824219 MB of memory in use. ENERGY: 3773000 707.6458 2061.4196 1914.1514 110.2888 -206805.4519 18054.4768 0.0000 0.0000 34438.6828 -149518.7867 300.7616 -183957.4694 -149418.1011 298.5769 132.7802 163.6146 555557.2526 6.0042 6.2266 PRESSURE: 3773200 360.101 39.9418 -101.227 39.9414 -247.709 -77.585 -101.227 -77.5853 -150.701 GPRESSURE: 3773200 347.4 19.7825 -178.099 97.8149 -206.49 -69.8837 -34.7935 -20.717 -99.9764 PRESSAVG: 3773200 39.2689 11.1309 32.0329 11.131 -51.4715 -24.0316 32.0329 -24.0316 24.5087 GPRESSAVG: 3773200 39.2224 11.9146 29.6449 10.4187 -52.398 -22.5255 32.5284 -24.397 24.7712 TIMING: 3773200 CPU: 11222.9, 0.00294018/step Wall: 11222.9, 0.00294018/step, 1.00195 hours remaining, 207.824219 MB of memory in use. ENERGY: 3773200 713.6816 2074.8458 1954.1349 104.5439 -206411.5442 17730.2200 0.0000 0.0000 34489.5782 -149344.5399 301.2061 -183834.1181 -149244.9410 298.8064 -12.7696 13.6446 556535.3621 4.1021 3.8652 PRESSURE: 3773400 26.7662 50.7178 55.2809 50.7174 117.877 125.961 55.2802 125.96 136.699 GPRESSURE: 3773400 65.8489 4.24031 110.453 -1.25148 140.717 160.075 -19.1714 156.895 182.123 PRESSAVG: 3773400 -44.5415 9.22371 25.3691 9.22377 -1.53873 12.9651 25.3692 12.9651 28.9209 GPRESSAVG: 3773400 -44.3987 7.44836 26.2886 10.6304 -0.887531 11.828 25.7234 12.6976 28.4294 TIMING: 3773400 CPU: 11223.5, 0.00294175/step Wall: 11223.5, 0.00294175/step, 1.00232 hours remaining, 207.824219 MB of memory in use. ENERGY: 3773400 747.7447 2062.2968 1928.9166 104.1912 -206459.9421 18169.6186 0.0000 0.0000 34175.5710 -149271.6032 298.4638 -183447.1742 -149173.4773 298.7748 93.7807 129.5630 558256.3569 -5.7198 -5.6189 PRESSURE: 3773600 496.781 -59.147 90.356 -59.1481 25.3925 96.6428 90.3568 96.6413 49.4929 GPRESSURE: 3773600 538.108 -18.8726 107.331 -78.7507 46.7189 91.9227 53.0975 109.875 73.1069 PRESSAVG: 3773600 -13.5885 -10.7186 18.5362 -10.7185 -14.4786 26.2845 18.5362 26.2848 7.78448 GPRESSAVG: 3773600 -13.5541 -11.7217 18.6313 -11.0748 -15.0191 25.4133 17.5142 29.4884 8.20179 TIMING: 3773600 CPU: 11224.1, 0.00293056/step Wall: 11224.1, 0.00293056/step, 0.998346 hours remaining, 207.824219 MB of memory in use. ENERGY: 3773600 741.0457 2064.5448 1937.8505 117.5159 -206490.3674 18115.9409 0.0000 0.0000 34328.4094 -149185.0600 299.7985 -183513.4694 -149087.5596 298.5138 190.5555 219.3113 556623.4790 -6.7609 -6.7905 PRESSURE: 3773800 66.7038 -54.1834 172.76 -54.1842 -177.593 -89.3817 172.76 -89.3829 209.458 GPRESSURE: 3773800 63.9115 -93.5972 176.258 10.2392 -134.223 -159.886 168.255 -74.5991 257.248 PRESSAVG: 3773800 2.67852 -28.3768 12.6993 -28.3767 -30.6501 -29.6411 12.6992 -29.641 23.331 GPRESSAVG: 3773800 2.73691 -27.4256 14.1588 -28.2477 -30.6005 -27.9826 13.3247 -33.1268 23.4177 TIMING: 3773800 CPU: 11224.7, 0.00293297/step Wall: 11224.7, 0.00293297/step, 0.999003 hours remaining, 207.824219 MB of memory in use. ENERGY: 3773800 769.6662 2100.0617 1934.2986 113.6521 -206199.0757 17983.9731 0.0000 0.0000 34141.1374 -149156.2865 298.1630 -183297.4239 -149061.4874 298.6920 32.8562 62.3123 557296.1050 -1.5469 -1.4820 PRESSURE: 3774000 -38.1421 -68.6389 238.036 -68.6389 -78.4547 -7.43008 238.036 -7.43115 152.027 GPRESSURE: 3774000 -42.5826 -101.734 171.061 62.9387 -24.1081 -24.6592 287.869 -4.16156 197.376 PRESSAVG: 3774000 9.72574 -24.7265 24.8822 -24.7264 1.36011 -1.03495 24.8822 -1.03489 35.1894 GPRESSAVG: 3774000 9.75023 -24.7909 23.2926 -26.9674 1.38848 -2.04991 25.3321 0.493308 35.3552 TIMING: 3774000 CPU: 11225.3, 0.0029415/step Wall: 11225.3, 0.0029415/step, 1.00174 hours remaining, 207.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3774000 698.9527 2060.9894 1945.6467 107.3100 -206263.7073 17859.1681 0.0000 0.0000 34507.9579 -149083.6824 301.3666 -183591.6404 -148980.5480 299.0058 11.8100 43.5619 557725.5659 15.4251 15.4980 PRESSURE: 3774200 -126.525 90.7762 3.89113 90.7759 50.1103 50.9198 3.89009 50.92 78.4738 GPRESSURE: 3774200 -38.918 95.7304 64.2319 77.3865 37.7011 49.601 -43.9047 -34.8832 94.4233 PRESSAVG: 3774200 -25.9038 54.3547 52.8531 54.3547 -50.1461 -41.5995 52.853 -41.5995 63.6629 GPRESSAVG: 3774200 -26.5051 54.6139 52.8972 57.4124 -50.5704 -41.9249 52.4079 -42.8263 64.77 TIMING: 3774200 CPU: 11225.9, 0.00296834/step Wall: 11225.9, 0.00296834/step, 1.01072 hours remaining, 207.824219 MB of memory in use. ENERGY: 3774200 742.3047 2124.5935 1911.3981 121.6944 -205861.2921 17687.1057 0.0000 0.0000 34301.8873 -148972.3084 299.5669 -183274.1957 -148875.6192 299.7560 0.6865 31.0688 556912.2048 -4.1290 -4.1018 PRESSURE: 3774400 193.698 -69.359 -175.383 -69.3599 237.214 172.281 -175.383 172.28 -137.415 GPRESSURE: 3774400 230.068 -80.0075 -140.463 -85.2736 295.317 175.489 -235.955 133.338 -134.74 PRESSAVG: 3774400 4.14472 1.99053 -6.86033 1.99047 -19.1294 64.5003 -6.86036 64.5003 47.4798 GPRESSAVG: 3774400 4.55767 2.82926 -4.61312 1.09569 -17.7339 65.2816 -7.81265 64.5488 45.6001 TIMING: 3774400 CPU: 11226.4, 0.00295764/step Wall: 11226.4, 0.00295764/step, 1.00691 hours remaining, 207.824219 MB of memory in use. ENERGY: 3774400 729.3879 2059.5433 1945.1300 114.0082 -206032.7648 17796.0178 0.0000 0.0000 34513.9593 -148874.7183 301.4190 -183388.6776 -148773.2293 300.1230 97.8320 130.2148 556739.0893 10.8317 10.8079 PRESSURE: 3774600 -70.1895 46.8865 118.544 46.8866 -311.02 34.1503 118.545 34.1489 85.222 GPRESSURE: 3774600 -26.597 17.0102 156.203 104.178 -281.696 9.26734 82.2795 92.9419 107.973 PRESSAVG: 3774600 -27.0287 10.1922 98.2096 10.1922 7.5191 49.8413 98.2095 49.8413 29.4621 GPRESSAVG: 3774600 -28.0429 9.87533 96.3719 11.2084 7.40759 50.2328 99.1535 50.7092 30.2995 TIMING: 3774600 CPU: 11227, 0.00295365/step Wall: 11227, 0.00295365/step, 1.00539 hours remaining, 207.824219 MB of memory in use. ENERGY: 3774600 727.9648 2061.4397 1949.4906 96.6880 -205606.3987 17519.7353 0.0000 0.0000 34321.6842 -148929.3960 299.7398 -183251.0802 -148845.7097 300.4194 -98.6626 -66.7732 558094.6514 3.3175 3.2214 PRESSURE: 3774800 -315.762 164.016 28.2044 164.017 37.4401 -54.9928 28.2053 -54.9933 71.9907 GPRESSURE: 3774800 -257.036 62.6271 -34.0733 194.925 77.4875 35.1114 -44.7736 -127.256 84.8717 PRESSAVG: 3774800 -68.925 5.32659 6.91782 5.32656 -31.8267 28.1602 6.9178 28.1603 90.8052 GPRESSAVG: 3774800 -67.773 5.12225 6.90442 5.19025 -31.9405 30.4694 5.51008 27.0256 89.7435 TIMING: 3774800 CPU: 11227.6, 0.00295198/step Wall: 11227.6, 0.00295198/step, 1.00466 hours remaining, 207.824219 MB of memory in use. ENERGY: 3774800 749.8754 2079.8497 1940.0232 141.6775 -206062.8034 17757.5389 0.0000 0.0000 34448.1649 -148945.6739 300.8444 -183393.8388 -148849.8162 299.6010 -68.7771 -31.5590 556453.2005 -3.3155 -3.3233 PRESSURE: 3775000 -100.25 -86.7437 -5.16951 -86.7434 -254.962 15.9652 -5.17084 15.9645 -85.5245 GPRESSURE: 3775000 26.1015 -35.3553 87.943 -95.572 -298.54 -9.61759 19.6319 52.2775 -75.935 PRESSAVG: 3775000 14.5401 39.8952 9.99665 39.8953 2.82064 -2.60027 9.9966 -2.60028 12.3797 GPRESSAVG: 3775000 14.6898 39.8981 13.9336 41.6547 1.85588 -5.016 7.74505 -2.68522 12.9418 TIMING: 3775000 CPU: 11228.2, 0.00293093/step Wall: 11228.2, 0.00293093/step, 0.997329 hours remaining, 207.824219 MB of memory in use. ENERGY: 3775000 719.0007 2132.0297 1943.4870 117.1880 -205996.7227 17727.4742 0.0000 0.0000 34406.1766 -148951.3664 300.4777 -183357.5430 -148851.0393 300.5345 -146.9120 -116.1245 557825.5970 9.9135 9.8291 PRESSURE: 3775200 152.41 -76.7905 80.659 -76.7904 67.2611 -1.59449 80.6585 -1.59562 212.394 GPRESSURE: 3775200 192.869 20.9347 56.3917 -110.751 110.626 -1.66345 92.2895 -22.6525 234.146 PRESSAVG: 3775200 -46.408 19.7981 -2.6402 19.7981 26.5374 0.679369 -2.64024 0.679455 68.7742 GPRESSAVG: 3775200 -45.7077 20.086 -4.01085 18.9465 25.898 1.03659 -3.20238 -1.12114 68.2507 TIMING: 3775200 CPU: 11228.8, 0.00292822/step Wall: 11228.8, 0.00292823/step, 0.996247 hours remaining, 207.824219 MB of memory in use. ENERGY: 3775200 732.7783 2036.1206 1952.8323 109.5493 -206058.6262 17847.6465 0.0000 0.0000 34489.7531 -148889.9461 301.2076 -183379.6993 -148796.0444 299.9795 144.0218 179.2139 556425.0777 16.3012 16.1470 PRESSURE: 3775400 397.901 -1.97602 -184.583 -1.97772 59.6293 99.6953 -184.583 99.6953 124.04 GPRESSURE: 3775400 362.875 -73.2847 -228.454 -18.7217 147.311 105.217 -113.94 113.411 174.698 PRESSAVG: 3775400 25.9006 -3.89856 19.8746 -3.89855 60.075 -24.4047 19.8746 -24.4047 -55.1701 GPRESSAVG: 3775400 25.3611 -3.58695 20.0039 -3.67846 60.703 -25.5265 23.2304 -23.0522 -55.3452 TIMING: 3775400 CPU: 11229.4, 0.00292422/step Wall: 11229.4, 0.00292422/step, 0.994724 hours remaining, 207.824219 MB of memory in use. ENERGY: 3775400 745.7391 2013.6842 1933.0394 118.1266 -205920.8940 17974.7584 0.0000 0.0000 34221.7679 -148913.7784 298.8672 -183135.5462 -148817.7634 300.1538 193.8569 228.2946 556778.1639 10.2685 10.2396 PRESSURE: 3775600 -98.5659 -12.9475 -24.2244 -12.9488 168.734 133.849 -24.2248 133.85 249.449 GPRESSURE: 3775600 -71.9208 -55.084 -15.2895 -62.6601 209.391 90.7131 -161.211 177.138 274.847 PRESSAVG: 3775600 -59.889 -18.7941 3.70564 -18.7939 103.907 7.77109 3.7057 7.77104 -39.6696 GPRESSAVG: 3775600 -61.2043 -20.7271 1.38169 -18.3671 103.389 9.76258 3.15116 8.17535 -38.7714 TIMING: 3775600 CPU: 11230, 0.00295119/step Wall: 11230, 0.00295119/step, 1.00373 hours remaining, 207.824219 MB of memory in use. ENERGY: 3775600 770.2113 2068.6967 1897.1978 105.8920 -206182.0000 18096.4973 0.0000 0.0000 34344.2008 -148899.3042 299.9364 -183243.5049 -148801.7384 299.8599 106.5393 137.4389 557585.6801 1.4494 1.1377 PRESSURE: 3775800 -38.6976 119.825 28.9321 119.825 48.8804 -227.834 28.932 -227.835 101.652 GPRESSURE: 3775800 44.4407 109.686 3.83614 136.826 104.479 -138.344 4.37743 -261.13 68.331 PRESSAVG: 3775800 0.743929 23.6499 27.4065 23.65 14.7495 -18.3843 27.4065 -18.3843 -27.0695 GPRESSAVG: 3775800 0.143639 25.963 28.7926 22.2318 15.2423 -18.2116 26.5948 -18.9528 -26.7439 TIMING: 3775800 CPU: 11230.6, 0.00294575/step Wall: 11230.6, 0.00294575/step, 1.00172 hours remaining, 207.824219 MB of memory in use. ENERGY: 3775800 735.6285 2056.8919 1898.4216 107.0138 -205974.8626 17773.7843 0.0000 0.0000 34349.7603 -149053.3621 299.9850 -183403.1225 -148957.1434 300.3975 37.2784 72.4168 555864.2227 -3.8587 -3.7860 PRESSURE: 3776000 -57.5076 -102.585 159.476 -102.584 -193.623 67.5855 159.477 67.5853 26.6318 GPRESSURE: 3776000 8.36838 -91.8603 194.457 -28.5313 -161.828 96.3351 178.328 10.522 45.5069 PRESSAVG: 3776000 30.9591 21.2465 -19.4032 21.2466 54.6823 14.5943 -19.4031 14.5943 -31.8335 GPRESSAVG: 3776000 33.0584 20.5381 -20.131 22.598 54.6743 12.6934 -17.7325 14.6801 -33.3257 TIMING: 3776000 CPU: 11231.1, 0.0029404/step Wall: 11231.1, 0.0029404/step, 0.999735 hours remaining, 207.824219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3776000 703.9719 2041.2228 1952.7770 108.8296 -205972.3555 17681.9321 0.0000 0.0000 34374.3689 -149109.2531 300.1999 -183483.6220 -149016.2799 299.9816 -74.8329 -35.9843 556466.8294 17.9360 18.1357 PRESSURE: 3776200 -5.29083 55.0279 102.453 55.0289 -49.2502 43.5638 102.453 43.5638 15.1532 GPRESSURE: 3776200 21.4432 49.0707 130.696 64.8772 -27.3403 6.32787 58.019 50.4408 73.3716 PRESSAVG: 3776200 55.6813 71.7753 16.7523 71.7753 -44.5282 11.8844 16.7523 11.8844 -22.1142 GPRESSAVG: 3776200 54.3547 71.5551 17.7958 72.3592 -46.2841 12.5271 15.6022 13.3641 -19.5639 TIMING: 3776200 CPU: 11231.7, 0.00297395/step Wall: 11231.7, 0.00297395/step, 1.01098 hours remaining, 207.824219 MB of memory in use. ENERGY: 3776200 715.7205 2043.1925 1904.3030 104.3732 -205947.4393 17701.3131 0.0000 0.0000 34326.2650 -149152.2720 299.7798 -183478.5369 -149056.4366 299.7858 -13.1293 22.4915 557050.3162 -3.6537 -3.8311 LDB: ============= START OF LOAD BALANCING ============== 11235.3 LDB: ============== END OF LOAD BALANCING =============== 11235.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11235.3 LDB: ============= START OF LOAD BALANCING ============== 11235.6 LDB: Largest compute 4802 load 0.026236 is 22.2% of average load 0.118283 LDB: Average compute 0.001728 is 1.5% of average load 0.118283 LDB: TIME 11235.6 LOAD: AVG 0.118283 MAX 0.198837 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.316 MB LDB: TIME 11235.6 LOAD: AVG 0.118283 MAX 0.198837 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.316 MB LDB: TIME 11235.6 LOAD: AVG 0.118283 MAX 0.198837 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.316 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11235.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11235.6 PRESSURE: 3776400 64.5557 1.02985 -22.2454 1.02979 123.983 103.11 -22.2452 103.109 -36.5589 GPRESSURE: 3776400 87.2054 -39.8316 -22.5279 73.0373 179.962 127.488 81.6462 30.8755 -14.9637 PRESSAVG: 3776400 109.147 13.0758 -8.06599 13.0756 -33.3682 41.8383 -8.0659 41.8384 -50.8578 GPRESSAVG: 3776400 109.2 14.9361 -7.45027 12.5595 -31.7114 41.7791 -9.02528 40.5796 -52.8121 TIMING: 3776400 CPU: 11232.4, 0.00303423/step Wall: 11232.4, 0.00303423/step, 1.0313 hours remaining, 209.304688 MB of memory in use. ENERGY: 3776400 727.7436 2052.2684 1910.7103 105.2026 -206082.1786 17806.9280 0.0000 0.0000 34343.5062 -149135.8195 299.9304 -183479.3257 -149036.8348 299.5062 50.6599 84.0680 556384.6943 8.3071 8.2255 PRESSURE: 3776600 37.1694 -1.3012 -10.7198 -1.30292 -382.518 68.706 -10.7202 68.7068 -197.209 GPRESSURE: 3776600 62.7936 -43.5171 36.6634 1.29415 -315.699 107.331 -35.4378 65.0712 -200.383 PRESSAVG: 3776600 -49.5513 24.1898 60.5477 24.1898 56.4281 -46.5902 60.5477 -46.5901 -7.07948 GPRESSAVG: 3776600 -49.0627 21.8301 60.0616 24.1845 56.178 -45.8123 61.3659 -46.8436 -7.31037 TIMING: 3776600 CPU: 11232.9, 0.00297289/step Wall: 11232.9, 0.00297289/step, 1.01029 hours remaining, 209.507812 MB of memory in use. ENERGY: 3776600 690.0640 2050.6041 1931.3441 116.8452 -205714.7934 17526.0300 0.0000 0.0000 34262.3740 -149137.5321 299.2218 -183399.9060 -149046.4457 299.4637 -180.8525 -151.0963 560082.5905 -0.0675 -0.0650 PRESSURE: 3776800 -53.0452 -66.7716 -122.312 -66.772 -340.065 -112.96 -122.311 -112.96 62.8228 GPRESSURE: 3776800 74.4802 -69.3574 -76.6581 -75.0435 -323.744 -90.6754 -159.234 -113.511 16.9719 PRESSAVG: 3776800 12.3666 10.5923 -22.8607 10.5922 -25.9803 -28.979 -22.8606 -28.979 46.0362 GPRESSAVG: 3776800 12.3535 13.6056 -24.1534 8.88068 -26.7526 -30.1527 -23.7199 -27.2398 46.5341 TIMING: 3776800 CPU: 11233.5, 0.0029612/step Wall: 11233.5, 0.0029612/step, 1.00615 hours remaining, 209.507812 MB of memory in use. ENERGY: 3776800 696.3920 2075.5552 1904.7391 111.5540 -205816.9593 17690.2727 0.0000 0.0000 34457.9948 -148880.4516 300.9302 -183338.4464 -148790.6016 300.1360 -110.0959 -77.4307 559726.0978 10.8075 10.7117 PRESSURE: 3777000 26.8446 -160.669 -13.5295 -160.667 -33.6071 -2.63528 -13.5292 -2.63363 -132.14 GPRESSURE: 3777000 68.2222 -118.495 -48.7954 -192.688 -0.4122 -0.871234 -21.8908 60.5069 -95.4642 PRESSAVG: 3777000 -7.54533 5.65217 -5.60863 5.65229 7.83774 -35.9623 -5.60863 -35.9624 -57.9198 GPRESSAVG: 3777000 -6.93252 3.95085 -6.52217 6.71562 7.98451 -34.3417 -6.47611 -36.2007 -58.8066 TIMING: 3777000 CPU: 11234.1, 0.00296217/step Wall: 11234.1, 0.00296217/step, 1.00631 hours remaining, 209.507812 MB of memory in use. ENERGY: 3777000 770.9382 2046.5311 1928.7695 106.2416 -206168.8569 17827.1776 0.0000 0.0000 34303.8123 -149185.3866 299.5837 -183489.1990 -149089.0947 299.9475 -46.3008 -9.2181 559045.5731 -19.2091 -19.2515 PRESSURE: 3777200 93.7583 128.048 149.476 128.048 -112.471 -5.28729 149.476 -5.2878 -36.7813 GPRESSURE: 3777200 137.223 179.162 124.407 115.631 -99.4248 21.7342 166.683 -57.7279 9.13363 PRESSAVG: 3777200 -54.7555 65.9116 -13.324 65.9116 -38.2709 -9.82649 -13.324 -9.82644 64.697 GPRESSAVG: 3777200 -56.4047 66.381 -12.1586 65.8274 -36.528 -9.71589 -12.6951 -9.58213 65.0566 TIMING: 3777200 CPU: 11234.7, 0.00295971/step Wall: 11234.7, 0.00295971/step, 1.00531 hours remaining, 209.507812 MB of memory in use. ENERGY: 3777200 709.8240 2079.1413 1942.2578 106.7879 -206220.2360 17865.2416 0.0000 0.0000 34322.3257 -149194.6577 299.7454 -183516.9834 -149099.9732 298.6067 -18.4981 15.6439 560622.6953 -9.4432 -9.2920 PRESSURE: 3777400 -127.881 85.9912 96.2277 85.9896 40.0536 32.3192 96.226 32.3198 -139.708 GPRESSURE: 3777400 -94.6208 99.964 107.521 122.312 121.54 65.3177 86.7578 -1.22121 -139.826 PRESSAVG: 3777400 30.8532 48.8762 7.81797 48.8763 19.7801 -29.6099 7.81788 -29.61 -30.094 GPRESSAVG: 3777400 31.6369 46.4822 6.70302 49.7737 18.8224 -30.5116 7.20034 -30.715 -29.4313 TIMING: 3777400 CPU: 11235.3, 0.00298296/step Wall: 11235.3, 0.00298296/step, 1.01305 hours remaining, 209.507812 MB of memory in use. ENERGY: 3777400 735.9084 2050.2702 1934.2697 121.2509 -206493.4799 18093.8028 0.0000 0.0000 34234.1424 -149323.8354 298.9753 -183557.9778 -149225.9596 298.3958 -75.8451 -37.6356 560213.4288 6.8464 7.0093 PRESSURE: 3777600 -192.122 3.17326 58.6414 3.1725 -181.181 39.53 58.6412 39.531 -88.8058 GPRESSURE: 3777600 -166.897 -45.6982 30.2015 49.2811 -122.581 39.2155 104.606 53.3574 -84.7791 PRESSAVG: 3777600 37.3768 56.4017 12.0864 56.4017 -16.9876 -16.6738 12.0864 -16.6737 -26.9629 GPRESSAVG: 3777600 36.7546 58.2906 11.1347 55.7785 -15.5354 -17.0392 12.3295 -16.2394 -27.5083 TIMING: 3777600 CPU: 11235.9, 0.00294507/step Wall: 11235.9, 0.00294507/step, 1.00001 hours remaining, 209.507812 MB of memory in use. ENERGY: 3777600 765.7375 2100.7074 1929.1179 120.7803 -206300.9318 17840.7353 0.0000 0.0000 34116.0630 -149427.7904 297.9441 -183543.8534 -149334.7094 298.4730 -154.0360 -124.7523 558944.2215 -2.1912 -2.0964 PRESSURE: 3777800 161.692 -112.48 118.805 -112.48 28.8267 56.3622 118.806 56.3626 -158.139 GPRESSURE: 3777800 225.272 -148.652 148.398 -91.183 -11.0638 63.6685 104.53 22.2732 -83.9483 PRESSAVG: 3777800 65.6671 2.74698 21.3297 2.74703 27.7141 -6.00224 21.3296 -6.0023 -66.9213 GPRESSAVG: 3777800 65.3137 3.98624 22.4288 3.04148 27.3003 -7.19794 20.0604 -5.71252 -65.6175 TIMING: 3777800 CPU: 11236.5, 0.00292482/step Wall: 11236.5, 0.00292481/step, 0.992975 hours remaining, 209.507812 MB of memory in use. ENERGY: 3777800 722.3901 2054.5452 1916.9933 118.6587 -206377.7694 17965.5654 0.0000 0.0000 34274.9113 -149324.7054 299.3313 -183599.6167 -149227.6753 298.5219 10.7931 43.4200 558338.8750 8.8199 8.9988 PRESSURE: 3778000 -71.6543 75.7704 -59.9068 75.7694 -29.2722 -110.731 -59.9069 -110.73 57.5634 GPRESSURE: 3778000 -46.2331 124.192 -45.2431 98.9112 7.63483 -128.175 22.177 -73.0874 98.0178 PRESSAVG: 3778000 -34.8534 -14.9643 27.303 -14.9643 2.14485 -22.1456 27.3031 -22.1456 21.0308 GPRESSAVG: 3778000 -35.1519 -15.9929 27.7688 -15.1173 2.28979 -21.3945 28.9584 -21.8114 21.7402 TIMING: 3778000 CPU: 11237.1, 0.00293175/step Wall: 11237.1, 0.00293175/step, 0.995167 hours remaining, 209.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3778000 768.7840 2031.9489 1885.7278 103.9991 -206296.3475 17943.1588 0.0000 0.0000 34064.4230 -149498.3059 297.4931 -183562.7289 -149397.4665 297.8058 -14.4543 19.8065 557849.1569 -3.8926 -3.7073 PRESSURE: 3778200 -216.686 -64.3764 118.128 -64.3757 -86.9577 -90.4214 118.129 -90.4215 -219.892 GPRESSURE: 3778200 -224.747 9.94547 205.362 -85.2705 -49.5173 -97.029 174.635 -32.9857 -152.083 PRESSAVG: 3778200 17.0158 32.4539 -46.2942 32.454 -73.1512 -8.29978 -46.2942 -8.29972 56.4264 GPRESSAVG: 3778200 18.4985 31.7855 -45.2641 31.1781 -73.443 -7.88023 -46.0623 -6.844 55.2844 TIMING: 3778200 CPU: 11237.7, 0.00289816/step Wall: 11237.7, 0.00289816/step, 0.983604 hours remaining, 209.507812 MB of memory in use. ENERGY: 3778200 766.2259 2079.5458 1906.4906 106.3946 -205993.8745 17580.9580 0.0000 0.0000 34243.9138 -149310.3458 299.0606 -183554.2596 -149219.7493 297.7786 -174.5121 -142.1159 558738.8706 0.0970 0.1133 PRESSURE: 3778400 -56.1645 92.2178 49.1054 92.2192 -17.0433 -5.06063 49.1049 -5.06154 -27.4925 GPRESSURE: 3778400 -70.6407 63.1788 57.1194 102.578 26.2029 14.3436 46.4102 -84.1602 36.0793 PRESSAVG: 3778400 -51.104 -42.7617 43.724 -42.7616 26.5986 -13.4675 43.724 -13.4675 45.3604 GPRESSAVG: 3778400 -51.0584 -41.3698 42.0645 -44.3617 26.333 -13.8274 45.3693 -17.647 45.3802 TIMING: 3778400 CPU: 11238.2, 0.0029107/step Wall: 11238.2, 0.0029107/step, 0.987699 hours remaining, 209.507812 MB of memory in use. ENERGY: 3778400 739.5994 2073.5923 1946.6170 104.4817 -206452.1204 17900.2942 0.0000 0.0000 34312.7510 -149374.7849 299.6618 -183687.5358 -149274.6449 298.5161 -33.5668 -2.7862 557724.4803 6.9517 6.8849 PRESSURE: 3778600 110.822 45.7273 -244.631 45.7283 -190.705 133.869 -244.631 133.868 -343.418 GPRESSURE: 3778600 73.2917 -60.8877 -216.074 66.0459 -135.786 151.95 -215.692 141.931 -271.145 PRESSAVG: 3778600 4.29478 21.6368 -31.5722 21.6368 -44.0474 40.7987 -31.5723 40.7988 39.4428 GPRESSAVG: 3778600 4.32835 21.0984 -32.0927 21.7252 -43.9336 41.2696 -32.5281 41.1883 39.5267 TIMING: 3778600 CPU: 11238.8, 0.0029646/step Wall: 11238.8, 0.0029646/step, 1.00582 hours remaining, 209.507812 MB of memory in use. ENERGY: 3778600 746.7440 2069.3443 1920.0606 117.8518 -206333.2365 17746.2734 0.0000 0.0000 34360.8856 -149372.0768 300.0822 -183732.9624 -149266.6326 298.8754 -141.1006 -111.2130 556770.9228 -0.1033 -0.0262 PRESSURE: 3778800 -25.1685 -47.761 64.7503 -47.7611 146.383 117.734 64.7509 117.735 -32.4248 GPRESSURE: 3778800 9.09186 -32.8002 82.3785 41.7368 184.414 119.921 60.9682 134.219 -4.93831 PRESSAVG: 3778800 10.9649 17.6515 -8.05287 17.6515 -17.555 23.5665 -8.05283 23.5665 -47.8372 GPRESSAVG: 3778800 10.744 18.9827 -8.62683 19.8436 -17.3133 25.6292 -7.77502 23.8119 -47.4735 TIMING: 3778800 CPU: 11239.4, 0.00294961/step Wall: 11239.4, 0.00294961/step, 1.00057 hours remaining, 209.507812 MB of memory in use. ENERGY: 3778800 746.7755 2123.2821 1927.1426 118.6002 -206495.8492 17843.8532 0.0000 0.0000 34428.8192 -149307.3764 300.6754 -183736.1957 -149220.7873 298.5051 29.5966 62.8559 556352.6686 -18.1424 -18.0143 PRESSURE: 3779000 -38.6476 135.79 -59.842 135.791 44.3368 -179.336 -59.8424 -179.338 140.917 GPRESSURE: 3779000 35.8053 176.988 -174.873 110.391 108.962 -113.875 -14.5847 -190.982 109.339 PRESSAVG: 3779000 30.107 42.4569 19.7345 42.4569 11.178 -36.5595 19.7344 -36.5594 -52.2593 GPRESSAVG: 3779000 30.4706 42.0001 21.6213 42.3738 11.1495 -38.4801 19.0969 -35.3176 -53.1602 TIMING: 3779000 CPU: 11240, 0.00291711/step Wall: 11240, 0.00291711/step, 0.989388 hours remaining, 209.507812 MB of memory in use. ENERGY: 3779000 737.9477 2034.9211 1922.1578 109.4175 -206091.7296 17827.5283 0.0000 0.0000 34268.4915 -149191.2658 299.2753 -183459.7573 -149094.4715 299.4017 48.8686 84.7020 557919.6644 -3.6581 -3.8467 PRESSURE: 3779200 -191.437 14.8409 -116.946 14.8417 71.9192 -6.80347 -116.945 -6.80449 43.0571 GPRESSURE: 3779200 -160.668 -86.0136 -134.667 24.4177 111.186 67.7095 -139.133 99.8476 76.0427 PRESSAVG: 3779200 0.171711 5.30918 -12.9643 5.30921 39.3636 -32.0733 -12.9643 -32.0733 -43.6409 GPRESSAVG: 3779200 -0.405987 4.54535 -13.1515 4.58199 40.6852 -33.961 -12.2164 -31.2108 -44.1963 TIMING: 3779200 CPU: 11240.6, 0.00293066/step Wall: 11240.6, 0.00293066/step, 0.993819 hours remaining, 209.507812 MB of memory in use. ENERGY: 3779200 738.4098 2025.9612 1930.5890 116.1126 -206225.0696 17858.1609 0.0000 0.0000 34311.9325 -149243.9036 299.6546 -183555.8361 -149144.8605 299.3290 -25.4868 8.8535 558029.6153 -1.3685 -1.3057 PRESSURE: 3779400 -18.3479 -114.035 109.284 -114.036 -71.6531 -43.3757 109.284 -43.375 -50.4935 GPRESSURE: 3779400 10.6544 -83.9702 236.363 -59.5037 -19.1606 -78.2147 99.8741 -48.0931 -30.0086 PRESSAVG: 3779400 8.96505 21.0781 -22.7875 21.0781 23.9239 4.50596 -22.7873 4.50604 -13.1072 GPRESSAVG: 3779400 8.06507 22.2556 -21.8363 22.2125 22.8655 5.06734 -24.8336 3.19618 -11.1441 TIMING: 3779400 CPU: 11241.2, 0.00292729/step Wall: 11241.2, 0.00292729/step, 0.992514 hours remaining, 209.507812 MB of memory in use. ENERGY: 3779400 734.3070 2082.5030 1900.2016 113.6730 -206042.9207 17727.5291 0.0000 0.0000 34266.4154 -149218.2916 299.2571 -183484.7070 -149117.3349 299.4197 -46.8315 -12.8383 557958.7351 6.5939 6.5955 PRESSURE: 3779600 -0.89809 -3.74322 -19.4089 -3.74358 -68.0723 64.1523 -19.408 64.1534 -61.9322 GPRESSURE: 3779600 9.40186 55.2587 -37.6409 -11.2104 -11.5759 3.49954 11.2607 110.923 -42.3104 PRESSAVG: 3779600 48.391 8.46002 -48.5184 8.46008 -42.2819 12.8669 -48.5185 12.8668 40.8864 GPRESSAVG: 3779600 51.1152 7.19916 -50.2657 8.48381 -44.2434 13.1401 -45.8224 12.2691 40.0342 TIMING: 3779600 CPU: 11241.8, 0.00294077/step Wall: 11241.8, 0.00294077/step, 0.996922 hours remaining, 209.507812 MB of memory in use. ENERGY: 3779600 736.2174 2062.3773 1943.2529 123.2619 -206008.9395 17582.8366 0.0000 0.0000 34280.8919 -149280.1016 299.3836 -183560.9935 -149180.2330 299.3368 -43.6342 -14.8282 556209.7061 15.6652 15.6353 PRESSURE: 3779800 -24.9931 -86.2521 173.091 -86.2517 -185.634 -128.862 173.092 -128.861 -181.97 GPRESSURE: 3779800 33.5492 -101.828 170.573 -55.894 -220.088 -226.376 108.207 -26.8827 -100.713 PRESSAVG: 3779800 -23.239 -15.692 20.5462 -15.692 15.7228 7.85495 20.5462 7.85497 42.3944 GPRESSAVG: 3779800 -24.6634 -15.2012 21.6814 -15.7161 17.4324 9.09995 19.5865 10.2676 42.228 TIMING: 3779800 CPU: 11242.4, 0.00292575/step Wall: 11242.4, 0.00292575/step, 0.991667 hours remaining, 209.507812 MB of memory in use. ENERGY: 3779800 769.7244 2087.7979 1975.1513 116.0948 -206266.8822 17739.7107 0.0000 0.0000 34331.8076 -149246.5956 299.8282 -183578.4032 -149148.7070 299.9468 -130.8656 -95.7506 558179.2642 11.6261 11.6657 PRESSURE: 3780000 -178.539 31.3632 13.1869 31.3629 -145.071 -96.0127 13.1868 -96.0121 -126.134 GPRESSURE: 3780000 -125.692 109.427 9.72599 5.79236 -112.401 -54.7056 -81.2045 -141.001 -116.108 PRESSAVG: 3780000 -0.463722 -25.0958 29.7974 -25.0959 -33.4414 15.8442 29.7975 15.8443 19.8895 GPRESSAVG: 3780000 -1.20417 -25.5919 28.3598 -25.1873 -33.1787 14.1447 28.7654 14.5926 20.4154 TIMING: 3780000 CPU: 11242.9, 0.0029093/step Wall: 11242.9, 0.0029093/step, 0.985928 hours remaining, 209.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3780000 745.0712 2157.1867 1948.3354 124.3727 -206286.5844 17737.7572 0.0000 0.0000 34241.4390 -149332.4222 299.0390 -183573.8612 -149232.6280 299.4464 -149.9147 -118.0671 558009.5198 -4.6719 -4.6558 PRESSURE: 3780200 -246.664 50.2719 -61.9811 50.2706 -178.588 30.9356 -61.9809 30.9361 -225.364 GPRESSURE: 3780200 -241.741 30.7096 -34.9949 54.0923 -142.937 62.6586 -96.9434 5.59221 -161.222 PRESSAVG: 3780200 -45.2525 46.4098 -10.0127 46.4097 65.4558 -18.3482 -10.0127 -18.3482 -21.9728 GPRESSAVG: 3780200 -45.0356 46.0434 -9.75319 46.4971 65.1939 -17.9993 -9.21314 -18.1967 -21.7612 TIMING: 3780200 CPU: 11243.5, 0.00293573/step Wall: 11243.5, 0.00293573/step, 0.994723 hours remaining, 209.507812 MB of memory in use. ENERGY: 3780200 774.8003 2075.2495 1916.5792 108.3711 -206306.8083 17706.7233 0.0000 0.0000 34223.2132 -149501.8717 298.8798 -183725.0849 -149400.8499 298.9368 -216.8721 -181.9666 558525.4272 -0.5898 -0.5343 LDB: ============= START OF LOAD BALANCING ============== 11247.1 LDB: ============== END OF LOAD BALANCING =============== 11247.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11247.1 LDB: ============= START OF LOAD BALANCING ============== 11247.4 LDB: Largest compute 4802 load 0.026017 is 22.0% of average load 0.118217 LDB: Average compute 0.001735 is 1.5% of average load 0.118217 LDB: TIME 11247.4 LOAD: AVG 0.118217 MAX 0.198063 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.887 MB LDB: TIME 11247.4 LOAD: AVG 0.118217 MAX 0.198063 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.887 MB LDB: TIME 11247.4 LOAD: AVG 0.118217 MAX 0.198063 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.887 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11247.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11247.4 PRESSURE: 3780400 -143.669 -32.1985 57.4374 -32.1977 -126.92 119.902 57.4369 119.902 -281.459 GPRESSURE: 3780400 -185.829 -7.6958 52.9636 -62.2475 -41.4498 104.37 50.9275 177.498 -222.849 PRESSAVG: 3780400 -6.56056 -13.431 8.96738 -13.431 47.5457 56.9011 8.96744 56.9012 -20.3963 GPRESSAVG: 3780400 -7.10734 -12.278 6.76505 -14.5561 47.8052 58.506 10.2648 56.1747 -20.0594 TIMING: 3780400 CPU: 11244.1, 0.00301827/step Wall: 11244.1, 0.00301826/step, 1.02252 hours remaining, 208.015625 MB of memory in use. ENERGY: 3780400 760.5205 2095.3407 1920.5868 115.5237 -205977.8888 17583.7037 0.0000 0.0000 34213.1175 -149289.0959 298.7917 -183502.2134 -149194.6285 298.6362 -184.0158 -150.0426 558981.3960 6.8630 6.8795 PRESSURE: 3780600 -307.281 45.8174 30.7723 45.8168 -178.964 88.8502 30.7725 88.8486 111.869 GPRESSURE: 3780600 -258.463 -17.9172 14.5676 52.122 -140.737 131.004 78.7535 50.9506 127.173 PRESSAVG: 3780600 22.5431 16.8195 23.251 16.8195 -30.3016 6.9665 23.251 6.96644 -11.7536 GPRESSAVG: 3780600 23.7473 15.524 25.6481 19.0129 -30.6752 7.39185 20.6995 8.14314 -12.4353 TIMING: 3780600 CPU: 11244.7, 0.00296665/step Wall: 11244.7, 0.00296665/step, 1.00487 hours remaining, 208.218750 MB of memory in use. ENERGY: 3780600 759.5864 2103.1144 1922.2657 114.3372 -205917.7728 17578.9134 0.0000 0.0000 34088.0327 -149351.5229 297.6993 -183439.5557 -149256.8474 298.4153 -124.7920 -90.6756 558090.1302 -6.5040 -6.4544 PRESSURE: 3780800 112.942 -12.4756 -39.9629 -12.4761 17.0644 -39.5718 -39.9629 -39.5726 -33.553 GPRESSURE: 3780800 207.75 67.1661 -3.88331 -15.8246 -18.8242 -113.104 -6.05422 -98.1262 -0.299852 PRESSAVG: 3780800 39.483 81.4229 38.8938 81.4228 -59.2058 -2.3822 38.8938 -2.38223 32.6325 GPRESSAVG: 3780800 38.8141 80.1626 38.8745 81.0913 -58.846 -2.01985 40.723 -3.43236 32.7764 TIMING: 3780800 CPU: 11245.3, 0.00296554/step Wall: 11245.3, 0.00296554/step, 1.00433 hours remaining, 208.218750 MB of memory in use. ENERGY: 3780800 755.4880 2082.1793 1929.4792 110.9418 -206421.7844 18008.9634 0.0000 0.0000 34382.2761 -149152.4566 300.2690 -183534.7327 -149062.4720 299.6826 32.1513 62.8755 557014.8426 4.3032 4.2482 PRESSURE: 3781000 -17.0521 3.93661 50.6296 3.93765 -279.031 35.1822 50.6295 35.1802 -328.289 GPRESSURE: 3781000 1.82743 11.1739 75.6807 35.1418 -255.601 -38.4659 74.9918 52.8894 -277.011 PRESSAVG: 3781000 70.9864 24.099 29.3509 24.0989 15.2635 -15.6236 29.3508 -15.6237 -27.7735 GPRESSAVG: 3781000 71.5489 25.2906 27.4069 22.9854 15.0182 -17.7657 30.4527 -14.3653 -28.3409 TIMING: 3781000 CPU: 11245.9, 0.00297049/step Wall: 11245.9, 0.00297049/step, 1.00584 hours remaining, 208.218750 MB of memory in use. ENERGY: 3781000 743.5607 2155.6234 1905.4950 125.3694 -206003.2709 17578.0363 0.0000 0.0000 34560.2167 -148934.9695 301.8230 -183495.1862 -148838.4797 299.9353 -208.1241 -176.9282 558249.9877 19.4921 19.4088 PRESSURE: 3781200 -86.8304 -114.842 65.6495 -114.843 13.2708 106.361 65.6504 106.361 -231.887 GPRESSURE: 3781200 -97.0255 -93.5508 96.4585 -168.13 91.7272 178.645 79.3506 66.1631 -196.629 PRESSAVG: 3781200 -29.6495 0.546932 28.933 0.547053 9.53899 10.9185 28.933 10.9184 -36.9446 GPRESSAVG: 3781200 -30.5095 -1.28709 29.1944 1.55952 8.80783 11.929 29.7145 8.54311 -35.2681 TIMING: 3781200 CPU: 11246.5, 0.00298123/step Wall: 11246.5, 0.00298123/step, 1.00931 hours remaining, 208.218750 MB of memory in use. ENERGY: 3781200 781.3563 2170.1212 1918.7863 117.9441 -206047.3566 17718.5192 0.0000 0.0000 34411.5972 -148929.0323 300.5250 -183340.6295 -148825.2384 300.5753 -101.8156 -67.3090 557549.5721 -19.0184 -18.9899 PRESSURE: 3781400 18.0895 36.867 -140.403 36.8667 126.547 -108.141 -140.403 -108.141 170.356 GPRESSURE: 3781400 79.008 -18.757 -89.0315 111.338 188.839 1.57066 -249.791 -114.776 139.209 PRESSAVG: 3781400 10.4901 40.2926 -35.0311 40.2925 -1.78163 36.1983 -35.0311 36.1984 48.4482 GPRESSAVG: 3781400 10.0396 42.7693 -33.2633 38.4128 -1.12759 36.5268 -37.2606 36.3491 48.1476 TIMING: 3781400 CPU: 11247.1, 0.00298374/step Wall: 11247.1, 0.00298374/step, 1.01 hours remaining, 208.218750 MB of memory in use. ENERGY: 3781400 760.7480 2080.1179 1936.3916 119.8443 -206262.6641 17908.0110 0.0000 0.0000 34450.8467 -149006.7046 300.8678 -183457.5512 -148914.4683 300.6245 104.9972 135.6854 555846.0789 19.0522 19.0199 PRESSURE: 3781600 -310.291 87.1958 -44.8677 87.1955 -210.892 82.4678 -44.869 82.4676 -22.4135 GPRESSURE: 3781600 -275.977 87.245 -34.3941 90.605 -158.286 121.981 -55.8762 67.6586 -24.7148 PRESSAVG: 3781600 34.9287 -8.9877 21.8401 -8.98763 10.8105 44.7544 21.84 44.7545 13.5217 GPRESSAVG: 3781600 35.9358 -7.51434 20.2215 -9.59715 9.73971 44.6247 24.6287 45.272 12.7829 TIMING: 3781600 CPU: 11247.7, 0.00293866/step Wall: 11247.7, 0.00293867/step, 0.994575 hours remaining, 208.218750 MB of memory in use. ENERGY: 3781600 786.1506 2099.6849 1923.8491 106.1819 -206146.8544 17725.7241 0.0000 0.0000 34357.7130 -149147.5508 300.0545 -183505.2638 -149051.0876 300.0770 -181.1988 -152.9925 559688.8530 19.7536 19.4861 PRESSURE: 3781800 121.411 -77.1114 -131.284 -77.1134 -51.9339 195.963 -131.284 195.962 -213.414 GPRESSURE: 3781800 91.3817 -29.8329 -93.4539 -107.227 11.7458 225.384 -130.17 145.615 -153.486 PRESSAVG: 3781800 36.8615 -32.3032 6.22891 -32.3032 -35.985 45.9741 6.22888 45.974 -37.346 GPRESSAVG: 3781800 35.9228 -33.3181 5.87939 -32.536 -33.771 45.2463 4.97293 46.6726 -38.1455 TIMING: 3781800 CPU: 11248.3, 0.00293953/step Wall: 11248.3, 0.00293953/step, 0.994704 hours remaining, 208.218750 MB of memory in use. ENERGY: 3781800 753.1014 2122.7451 1933.1571 120.1463 -206005.9720 17699.4536 0.0000 0.0000 34187.1858 -149190.1826 298.5652 -183377.3684 -149091.7985 299.2110 -47.9792 -16.7862 558457.2502 -12.1565 -11.9979 PRESSURE: 3782000 -237.802 51.7171 -22.7924 51.7164 64.768 -65.2763 -22.7929 -65.278 -312.096 GPRESSURE: 3782000 -204.177 37.4716 21.1106 112.456 99.1117 -101.933 -33.5904 0.975947 -290.062 PRESSAVG: 3782000 -7.72463 -57.3988 -16.9024 -57.3988 14.4722 83.8885 -16.9025 83.8884 32.2691 GPRESSAVG: 3782000 -6.97916 -59.5655 -15.4863 -55.5533 13.6515 83.0384 -16.1749 84.0229 32.2236 TIMING: 3782000 CPU: 11248.9, 0.00292492/step Wall: 11248.9, 0.00292492/step, 0.989598 hours remaining, 208.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3782000 810.8872 2118.1152 1940.9267 116.2587 -206148.8477 17648.8940 0.0000 0.0000 34335.6126 -149178.1534 299.8614 -183513.7660 -149083.3547 299.9201 -161.7098 -131.7092 556524.1501 13.0056 12.9653 PRESSURE: 3782200 -31.3122 -79.7554 15.604 -79.7554 47.6773 19.5401 15.6038 19.5382 128.653 GPRESSURE: 3782200 -3.57269 -90.8351 135.36 -147.11 101.65 31.0764 -15.5842 63.8102 171.009 PRESSAVG: 3782200 -32.3266 -17.8063 0.385545 -17.8063 12.436 7.84076 0.385522 7.84062 21.3963 GPRESSAVG: 3782200 -32.011 -17.0364 1.26083 -19.358 12.72 10.7751 -1.12728 6.48278 21.2109 TIMING: 3782200 CPU: 11249.4, 0.00294176/step Wall: 11249.4, 0.00294176/step, 0.995134 hours remaining, 208.218750 MB of memory in use. ENERGY: 3782200 759.1611 2112.9653 1933.9605 113.5834 -206574.6760 17970.2692 0.0000 0.0000 34514.0598 -149170.6766 301.4199 -183684.7364 -149077.7594 299.4566 48.3394 89.6953 556499.2157 0.5019 0.6400 PRESSURE: 3782400 -80.1579 -30.5384 138.783 -30.5389 163.461 -19.8615 138.782 -19.8611 160.551 GPRESSURE: 3782400 -34.0334 12.8163 60.7568 -25.9525 186.249 -29.1447 180.824 11.103 183.49 PRESSAVG: 3782400 8.61398 -8.91183 -39.2383 -8.91169 -9.55255 6.0416 -39.2382 6.04156 -15.9548 GPRESSAVG: 3782400 8.56872 -10.0135 -41.2716 -7.42126 -9.72592 4.14679 -37.8469 6.7436 -15.7973 TIMING: 3782400 CPU: 11250, 0.00292984/step Wall: 11250, 0.00292984/step, 0.990938 hours remaining, 208.218750 MB of memory in use. ENERGY: 3782400 738.1681 2109.7225 1922.2971 122.8668 -206460.0716 18068.8478 0.0000 0.0000 34237.2288 -149260.9404 299.0022 -183498.1692 -149166.3122 299.9686 81.2846 111.9016 556199.5431 -5.6311 -5.6515 PRESSURE: 3782600 -107.105 347.246 -264.405 347.245 -227.849 47.7107 -264.406 47.711 -379.891 GPRESSURE: 3782600 -68.3543 336.759 -303.137 305.92 -194.398 71.0203 -265.34 -42.5412 -342.755 PRESSAVG: 3782600 -28.8021 29.1178 35.0879 29.1178 18.7734 32.7175 35.0879 32.7175 26.9539 GPRESSAVG: 3782600 -29.1275 31.4541 37.6253 28.4631 18.9503 32.4574 33.604 32.6593 27.1711 TIMING: 3782600 CPU: 11250.6, 0.00292957/step Wall: 11250.6, 0.00292957/step, 0.990684 hours remaining, 208.218750 MB of memory in use. ENERGY: 3782600 769.2056 2114.2823 1923.1546 113.8894 -206143.1333 17557.6649 0.0000 0.0000 34351.6790 -149313.2574 300.0018 -183664.9364 -149216.7281 299.8765 -238.2818 -201.8358 557952.8047 5.6417 5.6646 PRESSURE: 3782800 115.798 194.609 -11.9007 194.608 -268.379 40.1019 -11.8994 40.1013 -186.731 GPRESSURE: 3782800 75.7761 241.27 50.7704 171.998 -179.036 28.1805 7.82937 83.392 -132.938 PRESSAVG: 3782800 47.2814 29.2905 -40.3068 29.2906 -10.0462 0.569269 -40.3068 0.569263 -75.8288 GPRESSAVG: 3782800 45.9838 28.8814 -42.4585 29.4547 -9.33589 0.679288 -40.3639 1.25325 -74.8952 TIMING: 3782800 CPU: 11251.2, 0.0029537/step Wall: 11251.2, 0.0029537/step, 0.998679 hours remaining, 208.218750 MB of memory in use. ENERGY: 3782800 740.1706 2094.9857 1930.2376 121.4156 -206033.2932 17648.4835 0.0000 0.0000 34164.9776 -149333.0226 298.3712 -183498.0002 -149230.5893 298.6552 -113.1041 -78.7327 559216.2358 -12.8645 -12.7491 PRESSURE: 3783000 -336.862 258.749 -141.795 258.749 63.2445 43.1521 -141.794 43.1528 -305.683 GPRESSURE: 3783000 -257.711 374.818 -123.571 189.008 55.7568 2.48251 -32.7705 60.2211 -265.504 PRESSAVG: 3783000 22.6777 7.50733 30.8115 7.50746 -35.9437 18.0187 30.8115 18.0189 -23.5606 GPRESSAVG: 3783000 24.0973 6.12114 34.5643 7.94833 -37.2711 20.148 30.3336 14.0251 -23.3466 TIMING: 3783000 CPU: 11251.8, 0.002948/step Wall: 11251.8, 0.002948/step, 0.996588 hours remaining, 208.218750 MB of memory in use. ENERGY: 3783000 769.2720 2136.5895 1935.4394 108.6321 -206073.0673 17772.1195 0.0000 0.0000 33994.8439 -149356.1709 296.8854 -183351.0148 -149264.2836 298.8474 -193.1002 -155.8195 559900.2272 -12.2755 -12.1735 PRESSURE: 3783200 267.925 -68.3613 -77.0097 -68.3614 -20.5552 -112.885 -77.0106 -112.883 -117.724 GPRESSURE: 3783200 342.496 -68.0845 -27.9874 -115.61 6.24734 -161.573 -2.5055 -132.271 -112.407 PRESSAVG: 3783200 71.7832 -31.093 23.7418 -31.093 -30.5892 36.1319 23.7418 36.1318 0.433041 GPRESSAVG: 3783200 73.2355 -29.8643 19.9255 -31.8375 -31.2905 32.839 26.0356 40.138 0.0923918 TIMING: 3783200 CPU: 11252.4, 0.00294618/step Wall: 11252.4, 0.00294618/step, 0.99581 hours remaining, 208.218750 MB of memory in use. ENERGY: 3783200 780.6741 2072.1830 1942.0248 125.3430 -206349.0404 17906.3704 0.0000 0.0000 34147.5305 -149374.9146 298.2189 -183522.4451 -149285.7471 298.6793 43.2153 78.7787 557786.0786 13.8757 14.0125 PRESSURE: 3783400 -36.9085 157.12 105.546 157.119 97.5331 102.136 105.547 102.135 -65.3196 GPRESSURE: 3783400 9.31353 226.609 123.481 95.7295 80.7328 -5.1106 49.7433 136.115 9.02308 PRESSAVG: 3783400 50.4786 -0.103378 30.7349 -0.103317 -13.9466 -21.1978 30.7349 -21.1978 -19.2207 GPRESSAVG: 3783400 49.9215 0.326131 31.0305 -1.16305 -13.9947 -20.5026 30.5083 -20.5921 -18.3645 TIMING: 3783400 CPU: 11253, 0.00295715/step Wall: 11253, 0.00295715/step, 0.999353 hours remaining, 208.218750 MB of memory in use. ENERGY: 3783400 748.9745 2143.6321 1937.5776 113.2339 -206486.4202 17964.2021 0.0000 0.0000 34251.4591 -149327.3410 299.1265 -183578.8000 -149236.5193 299.0531 -1.5650 33.0231 557895.1147 5.7704 5.8541 PRESSURE: 3783600 285.023 12.0825 61.1058 12.0834 20.3103 15.7802 61.1057 15.7807 90.1701 GPRESSURE: 3783600 309.421 19.9368 84.774 -4.94551 62.6025 27.0355 106.004 -40.0238 119.397 PRESSAVG: 3783600 58.3127 -8.45455 8.87307 -8.45454 16.2947 -21.5617 8.873 -21.5618 -64.7073 GPRESSAVG: 3783600 58.1172 -8.78504 8.91327 -6.47377 17.4587 -20.0246 9.54479 -23.9438 -65.4667 TIMING: 3783600 CPU: 11253.6, 0.00294829/step Wall: 11253.6, 0.00294829/step, 0.996195 hours remaining, 208.218750 MB of memory in use. ENERGY: 3783600 743.7916 2078.5495 1921.6663 112.4996 -206341.3520 18064.4484 0.0000 0.0000 34090.6357 -149329.7608 297.7220 -183420.3965 -149240.7825 299.0314 131.8346 163.8071 556313.7192 3.3000 3.3697 PRESSURE: 3783800 -185.552 -2.55465 47.6853 -2.55502 266.994 170.455 47.6859 170.457 -20.1455 GPRESSURE: 3783800 -126.859 -78.4692 59.5948 58.9273 285.118 112.998 83.4928 146.235 0.00133134 PRESSAVG: 3783800 51.5082 -5.24721 -27.2663 -5.24732 -26.0354 16.4178 -27.2662 16.4177 -37.3932 GPRESSAVG: 3783800 52.1081 -7.01598 -26.7328 -6.11899 -26.4341 15.4381 -27.5087 15.5535 -37.608 TIMING: 3783800 CPU: 11254.2, 0.00294718/step Wall: 11254.2, 0.00294718/step, 0.995656 hours remaining, 208.218750 MB of memory in use. ENERGY: 3783800 784.6060 2025.8107 1925.2899 116.6267 -206161.4785 17923.2938 0.0000 0.0000 34203.9313 -149181.9201 298.7114 -183385.8514 -149090.7762 299.5390 20.4322 52.7535 558190.2700 -3.9735 -3.9780 PRESSURE: 3784000 112.181 -146.344 67.4136 -146.344 100.463 -20.937 67.4129 -20.9372 -118.895 GPRESSURE: 3784000 153.422 -55.9704 2.75016 -150.752 139.701 -52.081 115.565 -46.5115 -106.688 PRESSAVG: 3784000 94.4288 -7.957 8.53515 -7.95698 -8.73689 29.4797 8.53517 29.4796 -70.7593 GPRESSAVG: 3784000 93.7267 -7.28595 11.238 -8.35172 -7.73286 30.1095 7.21426 28.9507 -70.9984 TIMING: 3784000 CPU: 11254.8, 0.00296629/step Wall: 11254.8, 0.00296629/step, 1.00195 hours remaining, 208.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3784000 732.6769 2116.7519 1937.2219 108.3481 -206578.3778 17925.6940 0.0000 0.0000 34520.7948 -149236.8902 301.4787 -183757.6850 -149146.8703 299.4995 31.2497 62.1447 556898.9934 4.9775 4.9985 PRESSURE: 3784200 189.728 -18.8825 -24.0925 -18.8833 -85.6265 111.203 -24.0927 111.204 106.565 GPRESSURE: 3784200 176.553 -58.8247 -39.8094 -53.7108 -12.3755 157.588 25.6408 79.9746 149.075 PRESSAVG: 3784200 -33.8979 -71.0175 12.963 -71.0174 10.5101 20.9326 12.963 20.9327 11.5649 GPRESSAVG: 3784200 -33.8553 -72.5397 10.172 -69.6948 9.50282 21.2558 14.2747 22.8832 12.4227 TIMING: 3784200 CPU: 11255.3, 0.0029732/step Wall: 11255.3, 0.0029732/step, 1.00412 hours remaining, 208.218750 MB of memory in use. ENERGY: 3784200 752.0958 2069.5877 1926.3970 111.5301 -206489.3981 18004.7938 0.0000 0.0000 34282.9616 -149342.0322 299.4016 -183624.9938 -149247.6565 299.2423 70.2220 104.4178 558098.9296 -3.9410 -3.9766 LDB: ============= START OF LOAD BALANCING ============== 11258.9 LDB: ============== END OF LOAD BALANCING =============== 11258.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11258.9 LDB: ============= START OF LOAD BALANCING ============== 11259.2 LDB: Largest compute 4802 load 0.026278 is 22.2% of average load 0.118218 LDB: Average compute 0.001729 is 1.5% of average load 0.118218 LDB: TIME 11259.2 LOAD: AVG 0.118218 MAX 0.19538 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.051 MB LDB: TIME 11259.2 LOAD: AVG 0.118218 MAX 0.19538 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.051 MB LDB: TIME 11259.2 LOAD: AVG 0.118218 MAX 0.19538 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.051 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11259.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11259.2 PRESSURE: 3784400 48.287 -48.7023 11.2409 -48.7027 186.191 81.9732 11.2404 81.9722 -38.8307 GPRESSURE: 3784400 116.285 -75.8827 29.76 -34.242 168.098 78.7665 -7.90087 13.7727 15.0857 PRESSAVG: 3784400 24.2192 4.15645 -37.2495 4.1564 9.0493 10.1882 -37.2495 10.1881 26.6325 GPRESSAVG: 3784400 23.8756 5.77647 -37.5723 2.36641 8.99569 10.1477 -39.9653 8.0354 27.0822 TIMING: 3784400 CPU: 11255.9, 0.00300985/step Wall: 11255.9, 0.00300985/step, 1.01632 hours remaining, 206.140625 MB of memory in use. ENERGY: 3784400 742.9399 2097.0145 1943.3973 115.0943 -206332.1199 17773.3844 0.0000 0.0000 34385.5518 -149274.7377 300.2976 -183660.2895 -149176.0089 298.9533 65.2158 99.8231 556074.0671 19.9670 19.9845 PRESSURE: 3784600 -37.898 -10.8607 -90.8788 -10.8624 135.903 169.564 -90.8788 169.564 49.63 GPRESSURE: 3784600 -38.1613 -61.9003 -22.7578 -70.8014 200.785 147.985 -128.951 156.407 81.4849 PRESSAVG: 3784600 46.5141 -3.52361 -44.0457 -3.52356 0.136878 -11.4406 -44.0458 -11.4408 -71.0859 GPRESSAVG: 3784600 47.645 -4.95265 -44.5728 -2.54899 0.0546312 -12.8859 -40.2517 -9.79482 -72.1471 TIMING: 3784600 CPU: 11256.5, 0.00294558/step Wall: 11256.5, 0.00294558/step, 0.994462 hours remaining, 206.140625 MB of memory in use. ENERGY: 3784600 773.4632 2115.4643 1927.2341 119.4293 -206619.9628 18054.5638 0.0000 0.0000 34308.7044 -149321.1036 299.6264 -183629.8081 -149225.0025 299.6919 49.2118 81.3696 556396.0234 -8.1450 -8.1492 PRESSURE: 3784800 -8.76252 131.932 -7.25943 131.933 -237.281 42.5421 -7.2593 42.5411 -82.2972 GPRESSURE: 3784800 88.821 109.781 -1.92155 194.343 -281.787 60.728 35.9028 -5.16288 -33.6756 PRESSAVG: 3784800 33.9437 13.0201 -26.288 13.0201 -34.3821 9.65602 -26.288 9.65595 -15.0803 GPRESSAVG: 3784800 32.8835 12.9275 -25.5388 14.9211 -34.4694 10.1978 -27.459 9.29468 -14.3339 TIMING: 3784800 CPU: 11257.1, 0.00294876/step Wall: 11257.1, 0.00294876/step, 0.995371 hours remaining, 206.140625 MB of memory in use. ENERGY: 3784800 822.4110 2113.8595 1922.8416 102.3834 -206316.1848 17799.9912 0.0000 0.0000 34218.7767 -149335.9215 298.8411 -183554.6982 -149235.5673 299.0018 -109.4469 -75.5473 557910.4469 -5.1729 -5.3066 PRESSURE: 3785000 -90.1487 -245.135 -89.2752 -245.134 -52.5125 35.0696 -89.2763 35.0694 86.3934 GPRESSURE: 3785000 -77.9454 -235.156 -5.44414 -223.355 0.438964 9.93663 -109.663 9.82566 115.38 PRESSAVG: 3785000 43.1012 11.8244 -21.6779 11.8245 -63.2521 -42.5224 -21.6779 -42.5223 -4.89822 GPRESSAVG: 3785000 43.7521 11.7239 -23.3168 10.7819 -62.4509 -43.434 -19.6544 -42.8959 -6.72545 TIMING: 3785000 CPU: 11257.7, 0.00295358/step Wall: 11257.7, 0.00295358/step, 0.996832 hours remaining, 206.140625 MB of memory in use. ENERGY: 3785000 769.7467 2098.2475 1962.1704 113.2850 -205953.7178 17709.2647 0.0000 0.0000 34069.5522 -149231.4513 297.5379 -183301.0035 -149134.0433 299.2449 -18.7559 12.6246 556361.0559 -8.3497 -8.4748 PRESSURE: 3785200 14.5993 -108.782 -119.603 -108.782 69.0288 8.15145 -119.604 8.15034 -58.9306 GPRESSURE: 3785200 23.668 -36.6778 -91.3771 -207.783 148.374 -74.7879 -182.367 -47.8727 -51.4693 PRESSAVG: 3785200 -47.5329 -12.9337 19.187 -12.9337 62.8398 19.4129 19.1871 19.413 -21.8965 GPRESSAVG: 3785200 -47.431 -12.0764 22.2598 -14.4827 63.0849 19.1744 15.5923 20.2859 -22.2213 TIMING: 3785200 CPU: 11258.3, 0.00291133/step Wall: 11258.3, 0.00291133/step, 0.982412 hours remaining, 206.140625 MB of memory in use. ENERGY: 3785200 785.2286 2088.0482 1951.8807 104.8452 -206175.7836 17796.3606 0.0000 0.0000 34067.1026 -149382.3178 297.5165 -183449.4204 -149293.6637 298.9631 8.2325 40.1911 555885.7087 -2.1965 -2.1891 PRESSURE: 3785400 -369.733 -63.6417 139.915 -63.6397 75.1105 -85.3164 139.915 -85.3162 -115.316 GPRESSURE: 3785400 -312.173 -55.2249 42.7505 -40.7839 99.7038 -138.28 99.5425 -66.7079 -85.589 PRESSAVG: 3785400 -118.163 -66.6414 -17.4225 -66.6414 86.5187 -27.4035 -17.4226 -27.4035 41.1041 GPRESSAVG: 3785400 -118.957 -66.0041 -16.7116 -66.3496 85.9125 -26.3814 -17.5837 -27.1324 42.3114 TIMING: 3785400 CPU: 11258.9, 0.00292922/step Wall: 11258.9, 0.00292922/step, 0.988288 hours remaining, 206.140625 MB of memory in use. ENERGY: 3785400 774.7313 2138.8007 1932.5685 107.0277 -206007.6416 17638.4459 0.0000 0.0000 34142.8880 -149273.1795 298.1783 -183416.0675 -149168.9932 299.5205 -136.6461 -99.3529 557581.9146 3.1532 3.0891 PRESSURE: 3785600 -98.182 138.345 -147.48 138.344 -238.352 -153.05 -147.481 -153.051 -319.276 GPRESSURE: 3785600 -69.2051 127.595 -146.424 120.01 -188.003 -150.83 -132.214 -104.9 -304.356 PRESSAVG: 3785600 -19.4197 42.622 59.124 42.6221 43.9987 -28.1645 59.1241 -28.1645 -4.29989 GPRESSAVG: 3785600 -18.3162 41.9006 58.0874 41.5381 44.1179 -27.2398 59.3906 -28.539 -5.40346 TIMING: 3785600 CPU: 11259.5, 0.00293678/step Wall: 11259.5, 0.00293678/step, 0.990673 hours remaining, 206.140625 MB of memory in use. ENERGY: 3785600 811.9595 2117.5663 1947.5291 111.8836 -206085.5043 17612.1605 0.0000 0.0000 34394.4709 -149089.9344 300.3755 -183484.4054 -148988.8029 299.8071 -218.6031 -187.1880 557197.8150 6.7597 6.7994 PRESSURE: 3785800 -38.6224 14.9656 -148.567 14.9664 -240.811 6.92514 -148.566 6.92586 -159.701 GPRESSURE: 3785800 18.1572 12.1662 -189.193 14.8408 -236.346 20.4478 -137.369 87.7154 -107.383 PRESSAVG: 3785800 20.9093 12.5684 24.5699 12.5684 -65.8008 -6.30062 24.57 -6.30052 23.3401 GPRESSAVG: 3785800 20.2392 13.1794 23.4077 11.5645 -65.4069 -4.311 26.2319 -7.28386 23.7062 TIMING: 3785800 CPU: 11260.1, 0.00293361/step Wall: 11260.1, 0.00293361/step, 0.989442 hours remaining, 206.140625 MB of memory in use. ENERGY: 3785800 767.3428 2077.0123 1965.6385 114.6483 -205795.8587 17539.3338 0.0000 0.0000 34128.1947 -149203.6883 298.0500 -183331.8830 -149109.4228 299.5274 -146.3781 -108.5239 556906.3314 -7.1838 -7.1538 PRESSURE: 3786000 48.4107 33.9833 6.18236 33.9853 -90.4049 13.8457 6.18355 13.8464 205.577 GPRESSURE: 3786000 121.988 -73.9991 -26.6451 13.3195 -45.8294 -2.357 100.331 -30.6415 180.378 PRESSAVG: 3786000 2.36228 42.6172 -20.8024 42.6172 -12.6851 -10.5017 -20.8025 -10.5017 19.2968 GPRESSAVG: 3786000 1.78223 42.6125 -22.485 45.9241 -13.6115 -14.7259 -21.5272 -9.22745 20.7564 TIMING: 3786000 CPU: 11260.6, 0.00293923/step Wall: 11260.6, 0.00293923/step, 0.991173 hours remaining, 206.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3786000 750.7007 2109.5651 1913.2977 116.4415 -206218.2140 17852.6554 0.0000 0.0000 34278.1387 -149197.4147 299.3595 -183475.5535 -149100.3080 299.5900 54.5277 85.5124 557709.4922 2.9913 2.9757 PRESSURE: 3786200 -347.868 5.46699 -84.4683 5.46781 -229.875 -159.851 -84.4688 -159.85 -32.202 GPRESSURE: 3786200 -265.373 17.4479 21.781 74.4739 -220.15 -104.155 -57.3146 -216.715 -37.3861 PRESSAVG: 3786200 3.72112 36.624 -14.6178 36.624 -70.4829 -5.59575 -14.6178 -5.5957 52.7764 GPRESSAVG: 3786200 3.95401 35.8828 -14.121 36.2122 -69.7006 -4.00127 -14.6448 -7.51163 50.7749 TIMING: 3786200 CPU: 11261.2, 0.00296712/step Wall: 11261.2, 0.00296712/step, 1.00041 hours remaining, 206.140625 MB of memory in use. ENERGY: 3786200 770.0792 2091.3156 1919.6950 103.7626 -205694.2413 17509.8669 0.0000 0.0000 34096.8163 -149202.7057 297.7760 -183299.5220 -149105.0366 299.7415 -203.3149 -174.3029 559423.2398 -4.6618 -4.9906 PRESSURE: 3786400 -90.4967 -162.662 -199.257 -162.66 -79.7487 122.419 -199.256 122.418 50.5292 GPRESSURE: 3786400 -94.6409 -126.687 -236.102 -145.301 -17.2703 94.0901 -187.721 176.706 83.2826 PRESSAVG: 3786400 -49.8981 26.6764 -37.5656 26.6764 -3.96271 71.5234 -37.5656 71.5233 68.4349 GPRESSAVG: 3786400 -49.062 27.0936 -38.0664 26.5503 -5.01747 73.057 -34.62 72.0767 68.3618 TIMING: 3786400 CPU: 11261.8, 0.00294205/step Wall: 11261.8, 0.00294205/step, 0.991799 hours remaining, 206.140625 MB of memory in use. ENERGY: 3786400 755.7996 2083.9879 1947.2158 108.5931 -206173.6150 17666.4111 0.0000 0.0000 34359.0275 -149252.5801 300.0659 -183611.6076 -149153.5614 299.0496 -39.9054 -9.5429 558070.8776 4.8580 4.7608 PRESSURE: 3786600 -276.393 -68.1959 -111.272 -68.1974 114.965 39.5542 -111.273 39.5563 -196.867 GPRESSURE: 3786600 -236.309 -125.93 -24.5236 93.982 127.02 0.492066 -200.871 67.7998 -156.627 PRESSAVG: 3786600 26.3202 -16.2873 -23.1319 -16.2873 -40.1169 26.8868 -23.1318 26.8868 22.0802 GPRESSAVG: 3786600 25.5524 -15.5693 -21.9278 -17.8413 -38.8609 25.1223 -25.3191 26.7494 21.6925 TIMING: 3786600 CPU: 11262.4, 0.00292549/step Wall: 11262.4, 0.00292549/step, 0.986052 hours remaining, 206.140625 MB of memory in use. ENERGY: 3786600 763.0870 2068.9706 1949.0254 106.4355 -205786.7916 17589.0676 0.0000 0.0000 34124.1711 -149186.0344 298.0149 -183310.2055 -149092.9057 299.1926 -119.4316 -88.6385 556754.5598 2.7612 2.7947 PRESSURE: 3786800 -123.182 -95.2342 -179.314 -95.2343 -235.468 7.4376 -179.316 7.43808 -84.6958 GPRESSURE: 3786800 -28.8477 -93.4254 -234.343 -83.4799 -230.215 93.7088 -193.984 33.3592 -77.3287 PRESSAVG: 3786800 -41.4528 -25.9435 -9.3276 -25.9436 -31.1785 -19.5143 -9.32753 -19.5141 19.6686 GPRESSAVG: 3786800 -41.3995 -25.7634 -10.4427 -24.5033 -31.877 -19.061 -10.2881 -17.929 20.6362 TIMING: 3786800 CPU: 11263, 0.00295513/step Wall: 11263, 0.00295513/step, 0.995879 hours remaining, 206.140625 MB of memory in use. ENERGY: 3786800 747.1522 2138.7343 1962.8212 110.9384 -206117.1698 17681.1141 0.0000 0.0000 34276.9667 -149199.4430 299.3493 -183476.4097 -149104.0727 299.5575 -147.7821 -112.1303 558301.1328 -17.6542 -17.5468 PRESSURE: 3787000 55.0614 55.8454 123.066 55.8445 -100.903 -126.358 123.067 -126.357 42.1375 GPRESSURE: 3787000 74.9721 50.5638 198.16 91.3372 -94.3264 -42.7746 39.8728 -138.974 106.862 PRESSAVG: 3787000 29.7642 -24.0851 40.9156 -24.0851 48.5571 -15.977 40.9157 -15.977 -26.0366 GPRESSAVG: 3787000 28.5339 -24.3856 42.7219 -24.7034 50.2227 -15.531 40.3815 -16.5808 -26.7122 TIMING: 3787000 CPU: 11263.6, 0.00294395/step Wall: 11263.6, 0.00294395/step, 0.991948 hours remaining, 206.140625 MB of memory in use. ENERGY: 3787000 703.3342 2094.4586 1935.2340 129.0705 -206285.5076 17781.7844 0.0000 0.0000 34308.2061 -149333.4198 299.6221 -183641.6260 -149228.2324 298.9012 -1.2347 29.1692 556635.9247 17.4282 17.3481 PRESSURE: 3787200 -25.4561 79.0814 146.991 79.0805 -5.85884 14.7093 146.991 14.7074 111.524 GPRESSURE: 3787200 0.0438399 90.9955 123.654 3.8168 7.19456 1.50879 150.307 39.4655 183.531 PRESSAVG: 3787200 37.4577 9.52712 16.2809 9.52724 6.23663 -51.4413 16.2809 -51.4414 8.89714 GPRESSAVG: 3787200 38.8556 8.94949 13.3242 7.9405 4.75367 -51.9885 18.6398 -51.3657 8.37485 TIMING: 3787200 CPU: 11264.2, 0.00294926/step Wall: 11264.2, 0.00294926/step, 0.993575 hours remaining, 206.140625 MB of memory in use. ENERGY: 3787200 714.5325 2143.6958 1943.5378 103.5037 -206125.3805 17696.2958 0.0000 0.0000 34114.7257 -149409.0893 297.9324 -183523.8149 -149315.6305 298.5407 26.7362 63.5897 555261.9899 17.5305 17.3281 PRESSURE: 3787400 -32.5678 -81.581 80.5639 -81.5804 68.5737 78.9235 80.5638 78.9245 234.937 GPRESSURE: 3787400 15.2681 -109.72 51.9749 -48.8861 48.9778 34.8395 46.6518 98.4897 302.024 PRESSAVG: 3787400 -12.6383 22.3165 49.8272 22.3163 -46.4365 -6.29591 49.8273 -6.29592 18.2323 GPRESSAVG: 3787400 -14.4735 20.8416 50.4718 23.8018 -45.076 -6.16725 49.1463 -7.27886 18.164 TIMING: 3787400 CPU: 11264.8, 0.00293312/step Wall: 11264.8, 0.00293312/step, 0.987974 hours remaining, 206.140625 MB of memory in use. ENERGY: 3787400 757.1461 2020.6397 1927.0688 113.8688 -205996.4525 17713.4743 0.0000 0.0000 34020.5317 -149443.7232 297.1098 -183464.2549 -149346.8526 298.4717 90.3144 122.0900 555834.0437 -13.6142 -13.7952 PRESSURE: 3787600 -100.928 -69.3195 107.46 -69.3198 -132.447 41.1667 107.461 41.1666 -106.635 GPRESSURE: 3787600 -46.2192 -54.2138 114.428 -74.0181 -133.553 71.839 164.186 59.8498 -49.4476 PRESSAVG: 3787600 -25.8176 15.5322 -36.128 15.5322 -7.12332 -28.9978 -36.128 -28.9977 43.2291 GPRESSAVG: 3787600 -24.2009 18.0318 -33.555 13.5038 -9.15896 -29.4348 -38.0673 -28.8217 43.5204 TIMING: 3787600 CPU: 11265.4, 0.00290599/step Wall: 11265.4, 0.00290599/step, 0.978673 hours remaining, 206.140625 MB of memory in use. ENERGY: 3787600 749.2421 2045.9606 1915.7500 111.7684 -206256.7319 17737.7668 0.0000 0.0000 34345.1953 -149351.0486 299.9451 -183696.2440 -149254.6461 298.9066 -113.3370 -76.4066 556661.3034 3.4294 3.3869 PRESSURE: 3787800 -90.4819 -104.193 -23.1886 -104.193 -315.09 59.3138 -23.1895 59.3131 -63.5627 GPRESSURE: 3787800 -65.1615 -147.282 -116.848 -74.0885 -266.81 92.4112 36.5735 34.1182 -41.0244 PRESSAVG: 3787800 67.7095 -18.9034 -32.2861 -18.9034 -21.7392 19.3289 -32.286 19.3289 -63.8994 GPRESSAVG: 3787800 65.9285 -19.9731 -34.0808 -16.2359 -20.0413 18.0442 -30.578 21.1214 -64.4323 TIMING: 3787800 CPU: 11265.9, 0.00292297/step Wall: 11265.9, 0.00292297/step, 0.984228 hours remaining, 206.140625 MB of memory in use. ENERGY: 3787800 744.4462 2073.8160 1925.8579 122.8714 -205930.1440 17586.2824 0.0000 0.0000 34246.7539 -149230.1163 299.0854 -183476.8702 -149130.4959 299.1989 -156.3783 -124.3320 556647.4170 -5.9764 -6.1817 PRESSURE: 3788000 6.35728 -90.609 -18.5938 -90.6098 28.9125 -10.0845 -18.5932 -10.0854 -133.304 GPRESSURE: 3788000 45.2307 -103.268 -103.332 -152.399 65.456 -4.89987 -105.685 70.0182 -103.399 PRESSAVG: 3788000 28.2322 21.0078 35.5142 21.0078 46.975 -11.3649 35.5141 -11.3648 -11.4117 GPRESSAVG: 3788000 29.2546 20.2483 32.5023 20.3649 45.9105 -12.319 36.4683 -10.5882 -10.8789 TIMING: 3788000 CPU: 11266.5, 0.00292742/step Wall: 11266.5, 0.00292742/step, 0.985565 hours remaining, 206.140625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3788000 719.7576 2127.5622 1901.4507 112.3676 -205958.7030 17815.0706 0.0000 0.0000 34030.7628 -149251.7315 297.1991 -183282.4943 -149151.6216 299.1339 -32.6780 2.4292 556782.8327 21.2652 21.4287 PRESSURE: 3788200 -439.351 -68.0583 -144.131 -68.0585 -97.1779 61.1829 -144.13 61.1809 -98.3537 GPRESSURE: 3788200 -329.001 -53.2128 -200.352 -56.1612 -87.3617 134.061 -52.3138 -84.9134 -108.231 PRESSAVG: 3788200 14.3797 -32.3208 3.581 -32.3207 8.7612 20.2866 3.58093 20.2866 -4.24729 GPRESSAVG: 3788200 14.5936 -31.5847 6.28281 -31.6895 8.0722 22.1907 1.94285 17.4055 -4.34401 TIMING: 3788200 CPU: 11267.1, 0.00292171/step Wall: 11267.1, 0.00292171/step, 0.983481 hours remaining, 206.140625 MB of memory in use. ENERGY: 3788200 745.5198 2078.0800 1923.9225 107.9748 -206116.0862 17580.6424 0.0000 0.0000 34431.3380 -149248.6087 300.6974 -183679.9467 -149155.4900 298.6059 -211.6275 -174.8644 557872.0905 6.2979 6.1073 LDB: ============= START OF LOAD BALANCING ============== 11270.7 LDB: ============== END OF LOAD BALANCING =============== 11270.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11270.7 LDB: ============= START OF LOAD BALANCING ============== 11270.9 LDB: Largest compute 4796 load 0.025167 is 21.3% of average load 0.118393 LDB: Average compute 0.001727 is 1.5% of average load 0.118393 LDB: TIME 11271 LOAD: AVG 0.118393 MAX 0.197276 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.965 MB LDB: TIME 11271 LOAD: AVG 0.118393 MAX 0.197276 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.168 MB LDB: TIME 11271 LOAD: AVG 0.118393 MAX 0.197276 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.168 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11271 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11271 PRESSURE: 3788400 -115.817 92.939 -103.878 92.9388 80.4786 53.6448 -103.878 53.6449 271.663 GPRESSURE: 3788400 -10.9863 70.2139 -9.11736 84.4761 92.5852 83.9802 -175.518 99.3211 248.547 PRESSAVG: 3788400 -67.689 -7.50105 -23.4532 -7.50111 55.9109 17.3195 -23.4532 17.3195 1.40532 GPRESSAVG: 3788400 -68.5447 -7.78632 -22.4235 -8.5546 57.3571 18.4647 -23.2054 18.5584 0.961112 TIMING: 3788400 CPU: 11267.7, 0.00299639/step Wall: 11267.7, 0.00299639/step, 1.00845 hours remaining, 206.140625 MB of memory in use. ENERGY: 3788400 729.0202 2119.0359 1905.9911 127.8601 -206580.0680 17859.7056 0.0000 0.0000 34518.2050 -149320.2501 301.4561 -183838.4551 -149218.9187 299.7781 78.7750 110.0488 555843.2228 -3.4576 -3.4088 PRESSURE: 3788600 -11.2313 -196.785 -109.033 -196.786 63.9942 31.8509 -109.032 31.8532 -40.1909 GPRESSURE: 3788600 -19.4354 -152.184 -77.6709 -220.385 134.36 -48.4009 -149.272 142.039 2.54625 PRESSAVG: 3788600 10.676 -1.8057 -26.9815 -1.80571 -12.4505 6.93879 -26.9815 6.9388 -23.0626 GPRESSAVG: 3788600 11.8092 -2.01082 -27.2286 -0.697418 -13.3232 6.55345 -27.6588 6.00149 -22.8561 TIMING: 3788600 CPU: 11268.3, 0.00295157/step Wall: 11268.3, 0.00295157/step, 0.993203 hours remaining, 206.343750 MB of memory in use. ENERGY: 3788600 725.3790 2097.4478 1896.9585 106.9262 -206130.3058 17748.6473 0.0000 0.0000 34165.3948 -149389.5523 298.3749 -183554.9472 -149295.9613 298.8047 4.1907 39.1569 556535.0424 -8.2790 -8.1234 PRESSURE: 3788800 -168.737 -39.4999 -21.312 -39.4994 -32.3279 -18.9234 -21.3125 -18.9248 -81.3637 GPRESSURE: 3788800 -152.946 -5.16812 -64.2012 -38.6061 12.3132 -6.48031 -36.7955 37.1238 -44.7413 PRESSAVG: 3788800 54.8765 12.5136 -45.0077 12.5136 -67.1887 0.0147469 -45.0078 0.0148304 28.9931 GPRESSAVG: 3788800 53.9728 13.5434 -45.621 9.77341 -66.4474 -1.20723 -45.2208 0.9557 29.2695 TIMING: 3788800 CPU: 11268.9, 0.00295983/step Wall: 11268.9, 0.00295983/step, 0.995819 hours remaining, 206.343750 MB of memory in use. ENERGY: 3788800 785.5871 2096.2022 1892.9384 110.9306 -206607.5561 17888.8519 0.0000 0.0000 34439.6447 -149393.4012 300.7700 -183833.0459 -149302.2536 298.9887 -94.1429 -61.7912 555778.3213 5.5603 5.5983 PRESSURE: 3789000 234.323 -139.499 10.6121 -139.5 27.2644 14.9083 10.6129 14.9069 153.243 GPRESSURE: 3789000 292.304 -133.289 76.2226 -154.075 46.6046 27.3374 -52.1941 -10.0089 179.713 PRESSAVG: 3789000 70.1376 15.5121 -19.4157 15.5121 14.4177 -38.2985 -19.4157 -38.2985 -57.9254 GPRESSAVG: 3789000 70.5833 14.3192 -18.7032 17.6765 14.1528 -37.4443 -18.4622 -37.9614 -58.1826 TIMING: 3789000 CPU: 11269.5, 0.00296056/step Wall: 11269.5, 0.00296056/step, 0.9959 hours remaining, 206.343750 MB of memory in use. ENERGY: 3789000 790.0237 1980.1894 1908.9304 112.0578 -206362.8180 17947.8368 0.0000 0.0000 34222.7589 -149401.0209 298.8759 -183623.7799 -149306.2873 298.9433 138.2768 172.8739 554613.0340 8.8766 8.8512 PRESSURE: 3789200 -6.43022 249.725 -144.787 249.725 -271.304 219.66 -144.786 219.66 -60.1146 GPRESSURE: 3789200 7.8572 174.744 -49.966 275.979 -211.33 216.783 -213.092 298.334 -24.058 PRESSAVG: 3789200 66.947 73.9454 31.6539 73.9454 -70.0342 -18.4624 31.6539 -18.4624 10.2976 GPRESSAVG: 3789200 67.9957 74.0847 30.0898 73.1858 -70.8256 -19.147 32.0994 -17.8797 10.0969 TIMING: 3789200 CPU: 11270.1, 0.00295184/step Wall: 11270.1, 0.00295184/step, 0.992802 hours remaining, 206.343750 MB of memory in use. ENERGY: 3789200 777.1289 2074.9289 1931.4026 109.0799 -206114.4285 17651.4884 0.0000 0.0000 34091.8666 -149478.5332 297.7328 -183570.3998 -149387.2697 298.6743 -112.6162 -75.8435 557517.1658 2.4035 2.4224 PRESSURE: 3789400 -244.092 -251.8 169.771 -251.8 -38.0669 50.6404 169.772 50.6413 -67.2642 GPRESSURE: 3789400 -196.67 -198.823 178.661 -298.62 -16.2081 93.4214 54.3852 41.5171 -46.6882 PRESSAVG: 3789400 -12.4984 -22.6368 77.4545 -22.6369 -86.5661 4.45659 77.4544 4.45663 23.158 GPRESSAVG: 3789400 -13.6147 -22.1071 78.1231 -23.1873 -86.1079 4.71931 75.1089 3.59144 23.5115 TIMING: 3789400 CPU: 11270.7, 0.00296687/step Wall: 11270.7, 0.00296687/step, 0.997692 hours remaining, 206.343750 MB of memory in use. ENERGY: 3789400 727.9079 2093.0030 1930.5231 109.5771 -205972.8406 17451.0084 0.0000 0.0000 34462.1321 -149198.6890 300.9664 -183660.8211 -149090.8357 299.0472 -116.4743 -86.5223 557634.0660 -25.3022 -25.4037 PRESSURE: 3789600 157.894 -14.8301 -88.5934 -14.8296 -37.0857 16.758 -88.5939 16.7575 86.7127 GPRESSURE: 3789600 169.31 49.9526 -14.6932 -40.6173 -25.2976 -5.16724 -114.561 -26.3177 151.933 PRESSAVG: 3789600 2.45162 -27.4736 -6.15363 -27.4736 -74.38 -16.8351 -6.1536 -16.8351 50.9287 GPRESSAVG: 3789600 1.345 -28.3405 -7.34328 -27.6605 -74.5577 -15.3209 -3.85347 -16.7347 52.3762 TIMING: 3789600 CPU: 11271.3, 0.00294478/step Wall: 11271.3, 0.00294478/step, 0.990101 hours remaining, 206.343750 MB of memory in use. ENERGY: 3789600 734.1452 2099.8170 1935.2611 113.6647 -206134.6428 17800.0434 0.0000 0.0000 34267.7373 -149183.9741 299.2687 -183451.7114 -149085.0805 299.3157 69.1737 98.6485 556593.6545 -6.9999 -6.9455 PRESSURE: 3789800 23.5831 -81.7872 -16.1564 -81.7881 -146.621 60.5378 -16.1567 60.5363 -121.051 GPRESSURE: 3789800 16.2775 -0.782973 94.9929 -53.8358 -70.5077 104.443 -94.671 11.0851 -67.0074 PRESSAVG: 3789800 24.4209 -33.5231 3.27149 -33.523 22.1261 -12.3828 3.27148 -12.3827 -4.94683 GPRESSAVG: 3789800 25.2047 -32.6176 3.13342 -32.2199 22.5623 -14.1456 0.950195 -10.9256 -6.0952 TIMING: 3789800 CPU: 11271.8, 0.00296204/step Wall: 11271.8, 0.00296204/step, 0.99574 hours remaining, 206.601562 MB of memory in use. ENERGY: 3789800 757.5924 2109.0311 1928.3144 105.0190 -206205.6865 17757.9697 0.0000 0.0000 34276.8802 -149270.8798 299.3485 -183547.7600 -149170.6188 299.3097 -81.3630 -40.4125 556658.6387 13.8667 13.8906 PRESSURE: 3790000 -338.578 -118.452 -83.7469 -118.451 52.6277 -39.3677 -83.7468 -39.367 64.8671 GPRESSURE: 3790000 -274.628 -145.637 -56.6657 -141.728 19.2585 -23.8223 -102.297 -33.6558 130.966 PRESSAVG: 3790000 -58.8216 34.6875 -16.958 34.6875 53.6115 8.83772 -16.958 8.83784 29.1219 GPRESSAVG: 3790000 -59.2591 35.5187 -16.1628 32.3654 54.0151 8.41541 -15.6359 7.84191 28.9248 TIMING: 3790000 CPU: 11272.4, 0.00298162/step Wall: 11272.4, 0.00298162/step, 1.00215 hours remaining, 206.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3790000 742.2041 2101.6270 1930.3215 112.7162 -206207.3178 17765.5616 0.0000 0.0000 34130.7636 -149424.1238 298.0724 -183554.8874 -149327.6410 299.2321 -73.6944 -41.4677 555590.2176 7.9706 7.8936 PRESSURE: 3790200 -220.42 -36.8298 -108.468 -36.8322 -226.257 -25.2529 -108.467 -25.2519 -100.048 GPRESSURE: 3790200 -218.971 -16.2928 -191.969 -96.3957 -176.848 40.7212 -112.687 -17.8407 -44.9638 PRESSAVG: 3790200 -75.2813 -5.44122 -38.3779 -5.44123 25.6641 15.3704 -38.378 15.3704 39.5247 GPRESSAVG: 3790200 -73.8254 -7.41494 -38.6936 -2.77779 23.601 15.6859 -38.421 15.4934 39.6308 TIMING: 3790200 CPU: 11273, 0.00297958/step Wall: 11273, 0.00297958/step, 1.0013 hours remaining, 206.601562 MB of memory in use. ENERGY: 3790200 797.8520 2054.0347 1953.9267 114.8858 -206016.2774 17535.6455 0.0000 0.0000 34070.6261 -149489.3066 297.5473 -183559.9327 -149389.3844 298.4670 -182.2416 -146.9276 556780.5962 -3.3642 -3.5312 PRESSURE: 3790400 -244.74 -16.0179 -71.7171 -16.018 -2.54217 -47.2176 -71.7182 -47.2173 -205.703 GPRESSURE: 3790400 -190.59 -55.3352 -101.238 1.15316 63.8089 25.4034 -53.6355 -20.0582 -227.584 PRESSAVG: 3790400 70.2843 19.6144 -82.8291 19.6144 -53.9977 -14.8194 -82.8291 -14.8193 22.0002 GPRESSAVG: 3790400 68.9795 19.4796 -82.2143 19.2048 -52.5505 -13.7582 -84.2368 -15.8196 21.9824 TIMING: 3790400 CPU: 11273.6, 0.00295273/step Wall: 11273.6, 0.00295273/step, 0.992116 hours remaining, 206.601562 MB of memory in use. ENERGY: 3790400 763.9317 2074.3385 1951.9521 104.6968 -205706.4400 17438.1224 0.0000 0.0000 34188.2705 -149185.1280 298.5747 -183373.3985 -149094.1196 299.3203 -150.9952 -118.1219 555917.0208 12.7623 12.8038 PRESSURE: 3790600 14.446 -9.34185 74.1354 -9.34242 -96.8301 95.7599 74.1358 95.7597 237.261 GPRESSURE: 3790600 62.2152 7.82886 72.3752 -7.20855 -42.5559 21.6051 15.9546 93.8479 245.981 PRESSAVG: 3790600 -37.5727 14.4767 -25.5364 14.4767 12.5335 11.4488 -25.5364 11.4487 48.8002 GPRESSAVG: 3790600 -37.3493 14.7984 -27.0992 13.5973 12.2264 10.7795 -23.7603 11.9452 48.6653 TIMING: 3790600 CPU: 11274.2, 0.00295994/step Wall: 11274.2, 0.00295994/step, 0.994376 hours remaining, 206.601562 MB of memory in use. ENERGY: 3790600 749.1798 2099.4438 1946.2544 100.6853 -206121.9659 17696.7539 0.0000 0.0000 34465.8838 -149063.7649 300.9991 -183529.6488 -148966.5584 300.2815 51.6257 88.5466 556014.9825 7.9203 7.8475 PRESSURE: 3790800 -190.734 69.1629 133.005 69.163 -296.497 -67.1734 133.006 -67.1722 -308.214 GPRESSURE: 3790800 -145.459 111.412 31.9718 19.0703 -275.909 -1.04828 256.27 -119.368 -279.469 PRESSAVG: 3790800 22.9445 10.2316 17.0782 10.2316 -33.4763 -30.0213 17.0783 -30.0212 -17.0947 GPRESSAVG: 3790800 22.3123 9.63542 17.9962 9.81321 -32.3633 -28.2014 17.3691 -30.4247 -17.458 TIMING: 3790800 CPU: 11274.8, 0.00294799/step Wall: 11274.8, 0.00294799/step, 0.990196 hours remaining, 206.601562 MB of memory in use. ENERGY: 3790800 735.3213 2076.1843 1935.2853 107.9314 -205592.8995 17291.8014 0.0000 0.0000 34296.1684 -149150.2073 299.5170 -183446.3758 -149050.4236 300.6807 -265.1483 -233.6124 556065.5346 -9.2088 -9.1697 PRESSURE: 3791000 2.08634 129.161 86.9472 129.162 -99.65 -110.19 86.948 -110.192 72.244 GPRESSURE: 3791000 53.8807 76.8346 115.134 217.965 -48.1298 -148.959 41.2075 -60.0066 70.8522 PRESSAVG: 3791000 36.9419 -17.7253 -1.44591 -17.7254 21.6584 -29.8107 -1.44586 -29.8106 23.9637 GPRESSAVG: 3791000 37.8089 -16.493 -1.80413 -17.2406 21.3808 -30.691 -4.16869 -26.7846 23.5232 TIMING: 3791000 CPU: 11275.4, 0.00294517/step Wall: 11275.4, 0.00294517/step, 0.989088 hours remaining, 206.601562 MB of memory in use. ENERGY: 3791000 754.2964 2109.1432 1950.0016 107.6271 -206060.6109 17717.0748 0.0000 0.0000 34130.8093 -149291.6584 298.0728 -183422.4677 -149197.2204 299.5247 -8.4399 25.5344 555780.5642 27.5214 27.5710 PRESSURE: 3791200 -44.5537 -103.092 -48.6978 -103.092 58.0947 56.7286 -48.6979 56.7297 69.0184 GPRESSURE: 3791200 17.506 -121.647 29.779 -144.156 31.5561 45.7614 2.54659 -7.07435 141.336 PRESSAVG: 3791200 -12.7836 -25.7593 61.171 -25.7593 5.0277 -20.3768 61.171 -20.3768 16.9801 GPRESSAVG: 3791200 -13.7634 -25.2228 60.9422 -27.1164 5.78159 -21.0765 63.7422 -22.5291 17.3393 TIMING: 3791200 CPU: 11276, 0.00294701/step Wall: 11276, 0.00294701/step, 0.989539 hours remaining, 206.601562 MB of memory in use. ENERGY: 3791200 759.8885 2124.0790 1929.1159 103.6684 -206164.5062 17815.4021 0.0000 0.0000 34288.1118 -149144.2406 299.4466 -183432.3524 -149038.1983 299.8207 27.5198 63.4661 557436.2111 3.0747 3.1192 PRESSURE: 3791400 -116.608 -149.22 163.121 -149.22 -7.16276 67.8053 163.122 67.8065 -48.863 GPRESSURE: 3791400 -59.9736 -183.679 144.799 -161.829 38.0003 92.8334 173.856 140.134 -57.7601 PRESSAVG: 3791400 -30.2623 9.04172 25.6199 9.04159 -42.9564 65.3787 25.6198 65.3788 22.4008 GPRESSAVG: 3791400 -28.3039 7.45364 24.9308 10.9428 -42.933 63.4427 25.9909 67.6741 20.9092 TIMING: 3791400 CPU: 11276.6, 0.00295792/step Wall: 11276.6, 0.00295792/step, 0.99304 hours remaining, 206.601562 MB of memory in use. ENERGY: 3791400 751.6803 2131.3227 1921.9126 127.6604 -206113.0782 17794.5877 0.0000 0.0000 34135.8487 -149250.0657 298.1169 -183385.9144 -149148.5544 299.5654 -57.5447 -26.5778 558413.9152 -16.9393 -16.7759 PRESSURE: 3791600 116.626 62.2902 -0.288046 62.2903 172.857 -14.2944 -0.288197 -14.2929 -178.608 GPRESSURE: 3791600 127.053 -0.360775 -14.6195 59.5303 237.822 33.2752 28.1425 -56.637 -149.594 PRESSAVG: 3791600 -52.48 8.19484 38.8167 8.19479 19.2282 15.926 38.8167 15.926 34.1197 GPRESSAVG: 3791600 -53.3587 7.47388 38.897 9.29129 18.4172 19.3399 36.581 15.2226 35.563 TIMING: 3791600 CPU: 11277.2, 0.00294061/step Wall: 11277.2, 0.00294061/step, 0.987065 hours remaining, 206.601562 MB of memory in use. ENERGY: 3791600 734.9414 2070.7919 1954.3737 124.1106 -206351.2468 17794.9066 0.0000 0.0000 34441.0223 -149231.1005 300.7820 -183672.1228 -149129.3383 299.6961 36.9586 71.7606 557442.2704 0.2893 0.2071 PRESSURE: 3791800 34.4924 -112.739 -31.4766 -112.738 -90.6403 5.55809 -31.4758 5.55651 -296.859 GPRESSURE: 3791800 108.697 -75.2294 -73.4362 -109.962 -113.752 -21.9283 79.3505 -3.55781 -253.792 PRESSAVG: 3791800 7.47528 -10.3771 18.8511 -10.377 -18.1691 -2.28413 18.851 -2.28398 -15.3072 GPRESSAVG: 3791800 7.37278 -7.87754 20.3634 -11.9951 -18.7879 -4.82263 20.9316 -3.79059 -14.1915 TIMING: 3791800 CPU: 11277.8, 0.00295105/step Wall: 11277.8, 0.00295105/step, 0.990405 hours remaining, 206.601562 MB of memory in use. ENERGY: 3791800 752.7286 2092.2942 1944.2126 116.5418 -205802.2849 17493.8481 0.0000 0.0000 34259.8022 -149142.8574 299.1994 -183402.6596 -149047.3066 299.5102 -117.6690 -86.2821 557497.7151 -8.6670 -8.5355 PRESSURE: 3792000 -170.427 35.641 -42.6943 35.6412 -60.6658 -75.7053 -42.6931 -75.7044 -88.7105 GPRESSURE: 3792000 -136.122 -57.2617 -40.7009 68.8999 -65.9161 1.18234 -3.96243 -87.0857 -13.0109 PRESSAVG: 3792000 47.431 -27.633 47.1152 -27.633 -23.4093 -18.1857 47.1152 -18.1859 31.8772 GPRESSAVG: 3792000 47.9717 -28.9848 47.0921 -28.439 -23.2716 -19.9461 46.8668 -16.864 31.2856 TIMING: 3792000 CPU: 11278.4, 0.00296557/step Wall: 11278.4, 0.00296557/step, 0.995112 hours remaining, 206.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3792000 727.0747 2071.3726 1945.3749 122.0533 -205915.2659 17652.6953 0.0000 0.0000 34177.9487 -149218.7464 298.4845 -183396.6951 -149115.7247 299.0786 -106.6012 -71.6831 558767.4745 18.6330 18.6619 PRESSURE: 3792200 -57.4711 -33.1376 -103.53 -33.1389 -126.4 84.2852 -103.53 84.2854 -128.497 GPRESSURE: 3792200 -42.4861 -6.34642 -48.7699 -88.8079 -84.6239 70.277 -68.6921 57.6544 -103.254 PRESSAVG: 3792200 51.7295 -48.1624 -22.0256 -48.1623 12.0083 -19.8232 -22.0256 -19.8231 -21.1053 GPRESSAVG: 3792200 50.3559 -50.132 -21.9042 -43.7453 12.6697 -15.3511 -21.1329 -22.1433 -20.7442 TIMING: 3792200 CPU: 11278.9, 0.00294805/step Wall: 11278.9, 0.00294805/step, 0.98907 hours remaining, 206.601562 MB of memory in use. ENERGY: 3792200 741.4824 2102.7189 1921.6200 116.1962 -205973.0184 17656.3065 0.0000 0.0000 34360.4353 -149074.2591 300.0782 -183434.6944 -148981.9469 299.9731 -104.1226 -76.7881 559097.5699 14.2108 14.0938 LDB: ============= START OF LOAD BALANCING ============== 11282.5 LDB: ============== END OF LOAD BALANCING =============== 11282.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11282.5 LDB: ============= START OF LOAD BALANCING ============== 11282.8 LDB: Largest compute 4802 load 0.025721 is 21.8% of average load 0.118205 LDB: Average compute 0.001731 is 1.5% of average load 0.118205 LDB: TIME 11282.8 LOAD: AVG 0.118205 MAX 0.199913 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.332 MB LDB: TIME 11282.8 LOAD: AVG 0.118205 MAX 0.199913 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.332 MB LDB: TIME 11282.8 LOAD: AVG 0.118205 MAX 0.199913 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.332 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11282.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11282.8 PRESSURE: 3792400 -91.6114 46.4098 -201.241 46.4109 66.2427 -30.3925 -201.241 -30.3926 -196.868 GPRESSURE: 3792400 -41.6592 50.7742 -130.11 76.4388 55.6476 42.1473 -140.789 -37.5476 -153.4 PRESSAVG: 3792400 -12.2128 -35.6018 -72.2273 -35.6018 -7.4962 12.995 -72.2274 12.995 -29.5802 GPRESSAVG: 3792400 -12.9476 -31.8141 -71.4633 -38.6493 -7.58755 10.478 -72.669 14.0023 -28.9803 TIMING: 3792400 CPU: 11279.5, 0.00303356/step Wall: 11279.5, 0.00303356/step, 1.01759 hours remaining, 207.367188 MB of memory in use. ENERGY: 3792400 730.3142 2133.5669 1934.8967 128.0765 -205963.8410 17871.7138 0.0000 0.0000 34075.5518 -149089.7210 297.5903 -183165.2728 -148989.6390 299.1316 -74.0788 -46.4706 559947.6472 -16.4297 -16.5052 PRESSURE: 3792600 -85.8779 -10.9576 -43.0777 -10.9582 20.6503 -112.443 -43.0795 -112.445 102.181 GPRESSURE: 3792600 -75.1217 -92.8625 -100.36 157.54 38.9733 -128.888 -3.63708 -101.58 172.512 PRESSAVG: 3792600 -39.0944 -19.2829 -63.3196 -19.2829 -5.31744 -6.4134 -63.3196 -6.41339 4.61717 GPRESSAVG: 3792600 -39.8664 -22.5972 -64.0895 -17.9093 -6.21007 -3.7859 -61.4568 -4.06116 5.99875 TIMING: 3792600 CPU: 11280.1, 0.00295306/step Wall: 11280.1, 0.00295306/step, 0.990424 hours remaining, 207.367188 MB of memory in use. ENERGY: 3792600 706.5750 2074.0790 1940.0061 119.9450 -206181.9747 17940.8720 0.0000 0.0000 34352.3404 -149048.1572 300.0075 -183400.4976 -148951.4587 299.6115 12.3178 45.4544 558568.6778 -13.2649 -13.3593 PRESSURE: 3792800 -109.626 42.82 -103.705 42.8207 -127.708 -37.6575 -103.705 -37.658 -126.499 GPRESSURE: 3792800 -105.026 120.158 -138.574 -66.261 -80.5637 36.6683 -219.799 -64.7459 -73.5431 PRESSAVG: 3792800 -21.0927 10.1385 -29.813 10.1385 36.5115 -14.0191 -29.813 -14.019 -8.16315 GPRESSAVG: 3792800 -19.8129 11.3188 -29.1966 8.43059 36.9403 -15.7937 -32.5808 -16.5918 -9.75481 TIMING: 3792800 CPU: 11280.7, 0.00294178/step Wall: 11280.7, 0.00294178/step, 0.986477 hours remaining, 207.367188 MB of memory in use. ENERGY: 3792800 772.7750 2079.0173 1948.6112 117.6347 -206001.1603 17643.3454 0.0000 0.0000 34616.2616 -148823.5152 302.3124 -183439.7767 -148720.8073 299.6999 -121.2777 -86.3776 558859.2138 2.4185 2.4575 PRESSURE: 3793000 -64.2602 -105.623 -59.2329 -105.623 -114.092 -25.2997 -59.2318 -25.3004 28.5968 GPRESSURE: 3793000 -13.1283 -29.4403 -64.4136 -167.666 -120.493 36.0432 -136.101 -128.678 88.849 PRESSAVG: 3793000 -19.2766 13.4201 -39.8648 13.42 -14.1954 -15.8031 -39.8648 -15.8032 33.5561 GPRESSAVG: 3793000 -19.5357 12.1255 -39.3329 14.7142 -14.1837 -15.2668 -41.5023 -13.6109 33.3396 TIMING: 3793000 CPU: 11281.3, 0.00293743/step Wall: 11281.3, 0.00293743/step, 0.984855 hours remaining, 207.367188 MB of memory in use. ENERGY: 3793000 754.1178 2063.7884 1948.6787 105.1385 -205962.2122 17693.2391 0.0000 0.0000 34336.9723 -149060.2775 299.8733 -183397.2498 -148965.0267 300.3283 -49.9183 -14.9242 557403.0469 0.0280 -0.1266 PRESSURE: 3793200 -92.0466 84.1151 -63.2261 84.1141 -9.47217 10.1019 -63.2252 10.1009 -3.28091 GPRESSURE: 3793200 -90.2682 10.5657 -91.3214 67.7389 70.2647 86.518 -118.756 16.0469 6.61201 PRESSAVG: 3793200 -86.1552 -16.4034 -52.2343 -16.4034 41.3618 18.6656 -52.2343 18.6657 43.9059 GPRESSAVG: 3793200 -87.344 -14.7637 -52.7585 -17.0813 42.7135 17.7844 -50.813 17.1059 43.4004 TIMING: 3793200 CPU: 11281.9, 0.00294864/step Wall: 11281.9, 0.00294864/step, 0.988451 hours remaining, 207.367188 MB of memory in use. ENERGY: 3793200 769.1936 2109.3052 1942.2650 109.4724 -205920.6123 17787.7213 0.0000 0.0000 34426.7255 -148775.9293 300.6572 -183202.6547 -148684.6014 300.2010 -34.9332 -4.4638 558261.5500 -0.2958 -0.4100 PRESSURE: 3793400 -23.2163 123.65 -34.5441 123.649 -65.0408 -39.1418 -34.5447 -39.1414 -241.272 GPRESSURE: 3793400 3.7289 14.2305 -34.9804 177.669 7.94114 -3.59088 -71.9597 -33.5465 -240.007 PRESSAVG: 3793400 53.8847 4.33192 -13.3103 4.3319 24.2314 -24.6308 -13.3103 -24.6309 -96.5604 GPRESSAVG: 3793400 55.4027 1.89157 -12.0989 6.53741 22.9007 -25.8938 -11.581 -22.5949 -96.8372 TIMING: 3793400 CPU: 11282.5, 0.0029588/step Wall: 11282.5, 0.0029588/step, 0.991691 hours remaining, 207.367188 MB of memory in use. ENERGY: 3793400 745.5561 2077.4389 1964.7517 122.4721 -205606.2147 17492.5488 0.0000 0.0000 34290.3071 -148913.1400 299.4658 -183203.4471 -148816.4014 300.0241 -109.8430 -76.1122 559788.2195 -6.1481 -6.1779 PRESSURE: 3793600 108.54 120.185 19.5581 120.186 -168.755 -87.2368 19.557 -87.2376 -19.3401 GPRESSURE: 3793600 114.781 -6.42591 31.3077 231.517 -87.3411 -111.696 -98.414 -51.7422 -15.8667 PRESSAVG: 3793600 -53.8345 29.5915 -73.3636 29.5916 27.5026 -23.0208 -73.3637 -23.0209 81.0188 GPRESSAVG: 3793600 -55.1392 33.1306 -74.6472 28.1547 27.9339 -20.4287 -74.0677 -23.8971 81.373 TIMING: 3793600 CPU: 11283.1, 0.00294033/step Wall: 11283.1, 0.00294033/step, 0.985339 hours remaining, 207.367188 MB of memory in use. ENERGY: 3793600 744.4051 2086.1344 1931.6484 109.8813 -205800.0241 17520.8766 0.0000 0.0000 34525.6854 -148881.3929 301.5214 -183407.0783 -148778.7152 300.1812 -26.5185 3.8577 556630.2771 18.2290 18.0559 PRESSURE: 3793800 96.8156 -68.7044 116.795 -68.7039 -39.5204 23.9104 116.795 23.909 36.7623 GPRESSURE: 3793800 134.002 -81.124 17.111 -152.291 -61.2702 0.22018 143.717 65.0264 125.333 PRESSAVG: 3793800 56.0877 -16.4932 27.6743 -16.4933 -38.8156 -4.35016 27.6743 -4.35019 -38.4767 GPRESSAVG: 3793800 56.1166 -17.5698 26.2775 -17.1602 -38.7822 -4.5465 28.4957 -4.1404 -38.8529 TIMING: 3793800 CPU: 11283.7, 0.0029433/step Wall: 11283.7, 0.0029433/step, 0.98617 hours remaining, 207.367188 MB of memory in use. ENERGY: 3793800 773.4230 2123.2422 1933.0280 111.3194 -205864.8927 17638.7868 0.0000 0.0000 34415.1755 -148869.9178 300.5563 -183285.0933 -148774.1245 300.9534 31.3525 66.0218 556946.5095 -7.0682 -7.1729 PRESSURE: 3794000 -83.4189 -43.221 -30.8449 -43.2219 -59.8724 123.464 -30.843 123.463 107.966 GPRESSURE: 3794000 -83.7188 -45.8863 -154.763 -119.575 41.1223 71.9469 13.218 136.558 107.779 PRESSAVG: 3794000 -7.91249 -65.8398 17.292 -65.8398 80.0935 40.9931 17.2921 40.9931 -63.5395 GPRESSAVG: 3794000 -8.30005 -65.3144 18.7522 -66.8466 79.9271 39.2399 17.2618 41.3424 -63.5641 TIMING: 3794000 CPU: 11284.3, 0.00295441/step Wall: 11284.3, 0.00295441/step, 0.989728 hours remaining, 207.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3794000 749.4721 2105.2385 1944.2144 113.7483 -205764.2002 17678.6495 0.0000 0.0000 34349.1013 -148823.7760 299.9792 -183172.8773 -148719.9140 301.1168 -11.7752 21.7274 557416.3799 2.8805 2.6876 PRESSURE: 3794200 72.7401 43.0484 38.3001 43.0489 -156.339 37.4969 38.2999 37.4964 78.6698 GPRESSURE: 3794200 111.056 95.9889 77.9801 42.7478 -125.407 -5.26998 -0.55124 93.6675 106.28 PRESSAVG: 3794200 7.60096 -10.27 -24.2788 -10.27 -23.8712 19.0384 -24.2789 19.0384 11.9168 GPRESSAVG: 3794200 8.44435 -9.43635 -23.8313 -10.767 -23.3684 20.3632 -24.8043 17.6326 10.9567 TIMING: 3794200 CPU: 11284.9, 0.00295525/step Wall: 11284.9, 0.00295525/step, 0.989846 hours remaining, 207.414062 MB of memory in use. ENERGY: 3794200 738.3255 2066.9358 1903.8190 113.1057 -206029.2149 17867.4545 0.0000 0.0000 34323.2351 -149016.3392 299.7533 -183339.5743 -148911.0356 299.8223 -1.6430 30.6432 559674.6668 -1.4512 -1.3225 PRESSURE: 3794400 -57.6592 183.844 -33.285 183.845 90.5784 -94.6745 -33.2849 -94.6749 -91.7032 GPRESSURE: 3794400 -29.5874 187.56 29.9755 143.607 143.947 -75.9568 -88.0851 -76.2597 -63.631 PRESSAVG: 3794400 4.81937 49.9495 -40.583 49.9495 -18.9054 -0.97944 -40.583 -0.979358 14.2485 GPRESSAVG: 3794400 3.5151 46.4615 -40.4783 50.8173 -18.9357 -0.76496 -40.597 -2.37086 15.4845 TIMING: 3794400 CPU: 11285.4, 0.00292276/step Wall: 11285.4, 0.00292276/step, 0.9788 hours remaining, 207.414062 MB of memory in use. ENERGY: 3794400 724.6416 2072.7157 1932.7410 119.0049 -205879.6899 17644.0771 0.0000 0.0000 34327.4950 -149059.0146 299.7906 -183386.5096 -148960.3707 300.0898 -19.5947 16.9094 557909.8398 0.0541 0.0213 PRESSURE: 3794600 235.271 76.8181 -12.2968 76.818 25.6452 -94.0877 -12.297 -94.0876 -94.6311 GPRESSURE: 3794600 306.677 41.3937 -38.0897 52.3779 55.951 -139.856 49.3458 -128.936 -104.257 PRESSAVG: 3794600 18.8625 -31.8201 -40.1379 -31.8202 -39.7596 31.013 -40.1379 31.0129 -0.743151 GPRESSAVG: 3794600 20.1234 -31.872 -41.1828 -30.892 -39.9859 30.9764 -39.4032 31.6585 -1.49466 TIMING: 3794600 CPU: 11286, 0.00295257/step Wall: 11286, 0.00295257/step, 0.988618 hours remaining, 207.414062 MB of memory in use. ENERGY: 3794600 702.9553 2087.1720 1940.5043 116.6081 -206097.6199 17857.6508 0.0000 0.0000 34273.5918 -149119.1377 299.3198 -183392.7295 -149028.5085 299.9991 55.4285 86.1235 557166.9337 -7.2134 -7.1190 PRESSURE: 3794800 20.7249 -78.935 -0.368765 -78.9354 -195.463 28.9237 -0.368637 28.9238 114.789 GPRESSURE: 3794800 60.0713 -66.3096 -52.6106 -121.218 -162.39 52.9621 19.0118 39.2206 136.517 PRESSAVG: 3794800 13.8463 -7.83673 -2.22858 -7.83679 -35.675 -41.7056 -2.22863 -41.7055 41.5874 GPRESSAVG: 3794800 13.6072 -8.50281 -2.33477 -8.22752 -36.2742 -42.0071 -2.75471 -39.6821 41.9924 TIMING: 3794800 CPU: 11286.6, 0.00294063/step Wall: 11286.6, 0.00294063/step, 0.984456 hours remaining, 207.414062 MB of memory in use. ENERGY: 3794800 732.6794 2070.9044 1958.4797 109.2575 -206139.3580 17785.9162 0.0000 0.0000 34380.3770 -149101.7437 300.2524 -183482.1207 -149011.7267 300.2083 -19.9831 11.3993 557273.1502 6.5862 6.4418 PRESSURE: 3795000 -4.13025 -37.9749 -10.8327 -37.9753 -279.354 -73.8288 -10.8341 -73.8307 -34.2357 GPRESSURE: 3795000 24.8562 -48.77 3.94547 -32.5296 -249.796 -118.48 -72.4478 18.2193 -1.07634 PRESSAVG: 3795000 -31.5202 10.3452 -16.7087 10.3452 1.40808 -47.498 -16.7087 -47.4979 32.6965 GPRESSAVG: 3795000 -31.2538 12.4771 -16.3848 9.6589 0.86652 -47.5273 -16.2626 -48.2284 33.2946 TIMING: 3795000 CPU: 11287.2, 0.00292361/step Wall: 11287.2, 0.00292361/step, 0.978596 hours remaining, 207.414062 MB of memory in use. ENERGY: 3795000 776.2400 2086.1987 1925.4361 113.1928 -206100.0195 17618.4981 0.0000 0.0000 34441.7214 -149138.7322 300.7881 -183580.4536 -149042.1039 300.0721 -105.9068 -75.3388 556296.2630 0.8615 0.9691 PRESSURE: 3795200 -68.4192 -79.4814 87.1438 -79.4815 -14.1546 -79.5342 87.1443 -79.5342 262.923 GPRESSURE: 3795200 -44.1703 -105.954 77.5432 -31.6066 14.3693 -153.226 57.0744 -78.7551 295.14 PRESSAVG: 3795200 -4.64065 -13.3622 -40.7007 -13.3621 19.6735 -3.54872 -40.7008 -3.54878 38.9607 GPRESSAVG: 3795200 -6.0869 -13.1813 -39.9479 -13.4583 21.8554 -3.84684 -42.516 -3.77771 37.9965 TIMING: 3795200 CPU: 11287.8, 0.00294092/step Wall: 11287.8, 0.00294092/step, 0.984227 hours remaining, 207.414062 MB of memory in use. ENERGY: 3795200 750.2452 2059.8586 1923.6492 125.9412 -206156.3825 17754.7531 0.0000 0.0000 34461.3746 -149080.5606 300.9598 -183541.9352 -148978.4824 299.1731 60.1165 88.4464 555922.6980 17.9979 17.9216 PRESSURE: 3795400 -322.448 22.3948 -70.8177 22.3939 -136.314 -165.937 -70.8179 -165.938 71.7651 GPRESSURE: 3795400 -313.857 -12.5204 -91.4838 11.398 -86.2566 -146.322 -18.4657 -98.6055 108.995 PRESSAVG: 3795400 -46.1358 50.7621 -1.45648 50.7619 5.37545 2.64973 -1.45649 2.64982 55.6307 GPRESSAVG: 3795400 -45.0794 49.708 -0.310053 52.0253 3.13181 2.39911 0.534632 1.22563 56.6102 TIMING: 3795400 CPU: 11288.4, 0.00296913/step Wall: 11288.4, 0.00296913/step, 0.993503 hours remaining, 207.414062 MB of memory in use. ENERGY: 3795400 743.1805 2096.8120 1930.2619 116.2326 -205726.1072 17610.8429 0.0000 0.0000 34138.4191 -149090.3582 298.1393 -183228.7773 -148999.1433 299.8477 -128.9989 -97.0396 557664.0587 4.9568 4.8875 PRESSURE: 3795600 -212.205 336.829 2.06544 336.829 124.725 -86.7985 2.06615 -86.7984 31.5285 GPRESSURE: 3795600 -118.139 328.368 64.7392 267.587 138.033 -49.4873 11.6952 -64.691 35.7281 PRESSAVG: 3795600 -25.8635 48.0274 -10.3738 48.0274 18.0053 28.9241 -10.3738 28.924 -8.48415 GPRESSAVG: 3795600 -24.942 48.0093 -10.7137 47.1693 17.6054 28.2318 -10.6047 31.5633 -9.28083 TIMING: 3795600 CPU: 11289, 0.00295874/step Wall: 11289, 0.00295874/step, 0.989862 hours remaining, 207.414062 MB of memory in use. ENERGY: 3795600 734.0891 2145.2250 1913.8004 109.0336 -206057.1168 17850.6798 0.0000 0.0000 34163.1006 -149141.1883 298.3549 -183304.2889 -149047.6824 299.4919 -18.6504 18.5407 557827.5739 -5.4474 -5.5392 PRESSURE: 3795800 22.1427 -44.2035 116.146 -44.2024 -223.557 -159.202 116.145 -159.2 -225.894 GPRESSURE: 3795800 59.1041 -2.93712 101.61 -107.127 -205.525 -118.268 148.079 -135.727 -181.665 PRESSAVG: 3795800 -52.9693 32.3336 -10.5774 32.3336 100.855 10.4575 -10.5774 10.4576 -29.2161 GPRESSAVG: 3795800 -53.2296 32.5509 -12.7102 33.2299 100.695 12.8549 -10.1806 8.33389 -29.1272 TIMING: 3795800 CPU: 11289.6, 0.0029602/step Wall: 11289.6, 0.0029602/step, 0.990188 hours remaining, 207.414062 MB of memory in use. ENERGY: 3795800 769.7402 2056.3674 1913.5073 114.3289 -206072.8731 17712.9993 0.0000 0.0000 34293.3713 -149212.5587 299.4925 -183505.9299 -149118.1898 298.7428 -142.4362 -109.3621 559423.1620 6.2232 6.1128 PRESSURE: 3796000 269.052 -116.292 -119.876 -116.293 148.076 -23.273 -119.877 -23.2724 -129.153 GPRESSURE: 3796000 294.207 -70.204 -113.23 -215.956 228.075 -132.85 -112.047 47.5858 -135.42 PRESSAVG: 3796000 64.0191 -8.48565 -37.7474 -8.48562 -50.6142 -25.3668 -37.7474 -25.3668 -0.908902 GPRESSAVG: 3796000 63.8055 -8.83723 -34.6661 -8.35216 -51.1854 -26.3067 -38.938 -25.6313 -0.0295992 TIMING: 3796000 CPU: 11290.2, 0.00298266/step Wall: 11290.2, 0.00298266/step, 0.997536 hours remaining, 207.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3796000 723.5525 2038.7044 1934.5003 104.8961 -206320.9429 17936.1045 0.0000 0.0000 34367.0903 -149216.0948 300.1363 -183583.1851 -149117.7500 299.8105 95.9917 128.9540 557813.5495 4.1653 4.1968 PRESSURE: 3796200 -45.6535 41.5904 -89.5892 41.5906 93.4339 47.7165 -89.5898 47.7159 -42.8689 GPRESSURE: 3796200 24.6844 70.0888 -18.5261 72.3804 142.67 90.2294 -68.1803 78.4193 -54.2438 PRESSAVG: 3796200 -13.3234 -31.6246 -29.0121 -31.6246 13.1309 -11.0874 -29.0121 -11.0874 -1.73336 GPRESSAVG: 3796200 -11.8616 -30.7731 -29.0911 -30.1757 12.7642 -10.1635 -29.8952 -10.5441 -2.33642 TIMING: 3796200 CPU: 11290.8, 0.00295171/step Wall: 11290.8, 0.00295171/step, 0.987018 hours remaining, 207.414062 MB of memory in use. ENERGY: 3796200 726.4922 2060.0111 1933.3444 109.9847 -206338.6491 18001.1198 0.0000 0.0000 34310.2035 -149197.4934 299.6395 -183507.6969 -149101.0225 299.2464 1.6372 37.7036 558391.4892 -0.6420 -0.4779 LDB: ============= START OF LOAD BALANCING ============== 11294.3 LDB: ============== END OF LOAD BALANCING =============== 11294.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11294.3 LDB: ============= START OF LOAD BALANCING ============== 11294.6 LDB: Largest compute 4796 load 0.024188 is 20.4% of average load 0.118328 LDB: Average compute 0.001729 is 1.5% of average load 0.118328 LDB: TIME 11294.6 LOAD: AVG 0.118328 MAX 0.197423 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 11294.6 LOAD: AVG 0.118328 MAX 0.197423 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.949 MB LDB: TIME 11294.6 LOAD: AVG 0.118328 MAX 0.197423 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11294.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11294.6 PRESSURE: 3796400 -167.769 112.959 -135.884 112.961 -74.4824 42.9787 -135.886 42.9785 -126.158 GPRESSURE: 3796400 -142.695 119.995 -61.3854 113.315 -48.2855 159.563 -105.617 26.1783 -78.4325 PRESSAVG: 3796400 0.8193 -39.2734 -18.3228 -39.2734 24.4725 -10.2961 -18.3227 -10.2961 -34.9345 GPRESSAVG: 3796400 -0.349595 -40.452 -16.997 -39.6479 25.8634 -13.7206 -18.8762 -7.86478 -35.1275 TIMING: 3796400 CPU: 11291.4, 0.00299952/step Wall: 11291.4, 0.00299952/step, 1.00284 hours remaining, 207.253906 MB of memory in use. ENERGY: 3796400 745.7391 2111.3906 1932.4001 108.1033 -205885.4780 17700.1023 0.0000 0.0000 34116.7231 -149171.0195 297.9498 -183287.7426 -149073.9157 298.9256 -122.8029 -89.8042 558100.6830 -3.2142 -3.2046 PRESSURE: 3796600 -340.994 -2.08455 51.38 -2.08378 0.671381 28.8678 51.3802 28.8673 -160.851 GPRESSURE: 3796600 -326.207 -5.78018 11.0016 14.775 3.6784 -25.3532 80.113 -12.3235 -79.1181 PRESSAVG: 3796600 -14.3243 -43.7525 15.7879 -43.7524 25.7494 -1.38019 15.7879 -1.38018 -17.0232 GPRESSAVG: 3796600 -13.814 -42.9481 13.3674 -44.9227 26.0051 0.773857 18.1523 -3.53178 -17.0517 TIMING: 3796600 CPU: 11291.9, 0.00292422/step Wall: 11291.9, 0.00292422/step, 0.977502 hours remaining, 207.453125 MB of memory in use. ENERGY: 3796600 750.8181 2080.9415 1901.1053 103.0790 -205993.5500 17626.0213 0.0000 0.0000 34351.9076 -149179.6772 300.0038 -183531.5849 -149073.6719 299.1197 -167.0581 -133.8823 556805.4038 -1.8660 -1.6202 PRESSURE: 3796800 15.099 25.7454 -96.6605 25.7463 -106.705 -82.8937 -96.6604 -82.8934 -126.442 GPRESSURE: 3796800 -10.8147 56.2183 -165.089 -72.29 -67.6288 -94.4332 -139.855 -24.6037 -47.4025 PRESSAVG: 3796800 7.38981 49.4305 -14.0239 49.4305 -10.3489 -60.0417 -14.0239 -60.0416 0.660865 GPRESSAVG: 3796800 8.83858 49.7785 -14.087 47.9177 -11.2239 -60.614 -15.184 -59.8841 -0.386647 TIMING: 3796800 CPU: 11292.5, 0.00293058/step Wall: 11292.5, 0.00293058/step, 0.979464 hours remaining, 207.453125 MB of memory in use. ENERGY: 3796800 755.4558 2105.1560 1954.4573 108.5950 -205974.2288 17565.9931 0.0000 0.0000 34418.1567 -149066.4148 300.5823 -183484.5715 -148968.6418 300.1070 -72.6826 -41.9487 557232.8804 -0.7661 -0.9240 PRESSURE: 3797000 109.447 95.5616 88.8922 95.5615 390.109 -75.1184 88.8924 -75.1182 118.768 GPRESSURE: 3797000 155.633 79.9861 70.2681 43.8168 406.671 -79.759 79.8783 13.3456 159.071 PRESSAVG: 3797000 1.66285 42.2797 -9.62521 42.2796 13.7519 17.6654 -9.62511 17.6653 -8.16946 GPRESSAVG: 3797000 0.741188 41.436 -7.24819 43.7354 13.8757 18.6514 -10.3206 17.1593 -6.95359 TIMING: 3797000 CPU: 11293.1, 0.00293926/step Wall: 11293.1, 0.00293926/step, 0.982204 hours remaining, 207.453125 MB of memory in use. ENERGY: 3797000 734.4605 2130.6376 1911.6407 119.0464 -206229.4769 17954.3308 0.0000 0.0000 34336.1742 -149043.1867 299.8663 -183379.3609 -148945.7589 300.0921 206.1079 240.4581 556791.0855 2.4151 2.5544 PRESSURE: 3797200 -64.7363 49.9033 102.137 49.9031 -194.354 -62.9089 102.137 -62.9093 -55.7209 GPRESSURE: 3797200 -3.06667 8.71776 34.0641 17.7646 -135.726 -77.4484 146.792 -1.37896 -82.8572 PRESSAVG: 3797200 -20.5788 18.042 9.7755 18.0419 30.9539 -45.9588 9.77557 -45.9588 -57.2669 GPRESSAVG: 3797200 -20.6568 18.2341 7.80176 19.2864 30.9987 -47.7977 11.1862 -46.1186 -57.2874 TIMING: 3797200 CPU: 11293.7, 0.00295166/step Wall: 11293.7, 0.00295166/step, 0.986182 hours remaining, 207.453125 MB of memory in use. ENERGY: 3797200 771.5543 2089.9101 1930.1558 122.2947 -205691.3359 17559.1023 0.0000 0.0000 34254.7110 -148963.6076 299.1549 -183218.3186 -148872.2810 299.6684 -104.9372 -73.8832 558185.3028 -15.6306 -15.6485 PRESSURE: 3797400 159.5 -37.2275 38.5548 -37.2264 -27.3118 25.9568 38.5533 25.9558 15.7315 GPRESSURE: 3797400 186.212 -65.0513 111.853 38.7073 26.2783 64.0212 93.0731 22.6728 34.1556 PRESSAVG: 3797400 32.0816 34.2764 -9.45045 34.2765 -16.031 -12.7528 -9.45049 -12.7527 -50.6533 GPRESSAVG: 3797400 31.0779 32.6421 -8.89409 34.2235 -15.845 -11.3294 -10.6521 -15.4144 -49.88 TIMING: 3797400 CPU: 11294.3, 0.00296201/step Wall: 11294.3, 0.00296201/step, 0.989477 hours remaining, 207.453125 MB of memory in use. ENERGY: 3797400 813.2233 2138.0615 1942.2558 112.1954 -206471.4047 18004.3201 0.0000 0.0000 34385.6916 -149075.6569 300.2988 -183461.3485 -148978.2107 299.7638 49.3067 82.2154 557390.7765 -11.5342 -11.5490 PRESSURE: 3797600 -66.682 -31.7355 -9.89272 -31.7348 117.152 16.9108 -9.89175 16.9118 147.418 GPRESSURE: 3797600 -101.792 85.4731 -65.6289 -11.4415 182.867 41.0737 23.0048 17.7735 209.164 PRESSAVG: 3797600 15.0114 33.1412 -11.6148 33.1412 28.5284 25.3293 -11.6147 25.3293 -72.1294 GPRESSAVG: 3797600 15.2114 34.4184 -12.1129 30.8106 28.6592 24.8513 -11.9011 27.5756 -72.5653 TIMING: 3797600 CPU: 11294.9, 0.0029328/step Wall: 11294.9, 0.0029328/step, 0.979557 hours remaining, 207.453125 MB of memory in use. ENERGY: 3797600 750.2011 2110.4921 1970.5229 121.9335 -206421.3911 17967.4229 0.0000 0.0000 34349.0008 -149151.8178 299.9784 -183500.8186 -149046.7441 299.3603 65.9627 96.7464 557475.9673 -9.5299 -9.5649 PRESSURE: 3797800 0.0193481 -106.077 -75.4277 -106.078 87.9197 5.6811 -75.4289 5.68153 -123.767 GPRESSURE: 3797800 18.7535 -90.5443 -47.5716 -178.338 109.515 -26.8269 -146.294 -25.6831 -76.52 PRESSAVG: 3797800 -19.5398 -8.97028 9.56967 -8.9703 66.7455 3.12798 9.56965 3.12795 -33.5691 GPRESSAVG: 3797800 -19.5503 -9.71359 8.87101 -7.6655 66.7539 3.97354 9.76389 2.0843 -33.9976 TIMING: 3797800 CPU: 11295.5, 0.00289852/step Wall: 11295.5, 0.00289852/step, 0.967943 hours remaining, 207.453125 MB of memory in use. ENERGY: 3797800 754.1229 2151.7403 1932.0788 128.8567 -206193.6179 17710.3188 0.0000 0.0000 34421.9650 -149094.5354 300.6156 -183516.5005 -148995.7555 300.1656 -11.9428 17.2497 556650.3944 4.5455 4.4020 PRESSURE: 3798000 -68.9569 -134.227 -115.564 -134.227 117.078 -193.558 -115.564 -193.556 -89.1279 GPRESSURE: 3798000 -17.0369 -190.491 -160.663 -150.698 117.357 -126.262 -134.753 -231.026 -40.4821 PRESSAVG: 3798000 4.03656 -67.9906 32.6052 -67.9906 -58.6913 -54.2025 32.6052 -54.2025 21.1524 GPRESSAVG: 3798000 3.59301 -68.0282 33.6884 -67.0152 -58.8994 -54.8389 31.5575 -54.7257 22.0068 TIMING: 3798000 CPU: 11296.1, 0.00295124/step Wall: 11296.1, 0.00295124/step, 0.985386 hours remaining, 207.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3798000 765.2868 2129.8521 1939.8764 117.0439 -206219.9115 17678.8246 0.0000 0.0000 34432.1074 -149156.9205 300.7042 -183589.0278 -149066.8372 300.0195 -13.6690 19.9459 555093.4812 -11.1674 -11.0999 PRESSURE: 3798200 36.5832 -142.76 10.9647 -142.76 236.922 -65.48 10.9631 -65.4808 37.5642 GPRESSURE: 3798200 93.1903 -126.994 41.1581 -179.53 278.696 -95.8514 -29.7898 -52.8337 41.6309 PRESSAVG: 3798200 -12.9203 -78.0112 47.2386 -78.0112 -56.0194 -7.85567 47.2387 -7.85572 32.0572 GPRESSAVG: 3798200 -13.3969 -75.9896 47.879 -78.7497 -55.1258 -8.86419 48.0052 -6.40533 31.4725 TIMING: 3798200 CPU: 11296.6, 0.00294566/step Wall: 11296.6, 0.00294566/step, 0.98336 hours remaining, 207.695312 MB of memory in use. ENERGY: 3798200 729.9981 2188.7457 1949.9165 100.9521 -206394.5951 17925.3246 0.0000 0.0000 34342.2468 -149157.4113 299.9194 -183499.6581 -149065.5925 299.5450 103.6898 137.8391 555505.2435 -12.2942 -12.3501 PRESSURE: 3798400 -249.715 87.2817 92.7805 87.2818 -73.0804 -4.37614 92.7811 -4.37646 -74.4145 GPRESSURE: 3798400 -214.783 72.5148 12.8506 131.21 -23.2984 37.7187 92.4435 63.7737 -51.9117 PRESSAVG: 3798400 -10.1556 12.9798 -21.2643 12.9799 4.78552 53.9711 -21.2644 53.9711 34.413 GPRESSAVG: 3798400 -8.76175 11.6624 -23.6124 11.448 3.57389 54.0788 -20.5243 54.8201 34.3301 TIMING: 3798400 CPU: 11297.2, 0.00292047/step Wall: 11297.2, 0.00292047/step, 0.974787 hours remaining, 207.695312 MB of memory in use. ENERGY: 3798400 734.9408 2137.0015 1941.0029 118.8172 -205847.5932 17545.7296 0.0000 0.0000 34107.8265 -149262.2747 297.8721 -183370.1011 -149165.1726 299.5733 -132.4032 -96.6644 557568.9584 9.6810 9.7141 PRESSURE: 3798600 158.148 -60.8428 170.708 -60.8432 -93.149 85.6079 170.708 85.6088 202.993 GPRESSURE: 3798600 155.508 -38.5241 271.428 -55.2768 -57.0103 53.9842 159.256 77.6479 273.269 PRESSAVG: 3798600 26.061 39.3867 5.20218 39.3867 -104.696 -4.54144 5.20214 -4.54141 63.0896 GPRESSAVG: 3798600 26.3115 38.7158 5.7725 39.6066 -104.491 -4.76007 5.15009 -4.59153 62.1218 TIMING: 3798600 CPU: 11297.8, 0.00289858/step Wall: 11297.8, 0.00289858/step, 0.96732 hours remaining, 207.695312 MB of memory in use. ENERGY: 3798600 726.3250 2145.9243 1935.5395 109.4482 -206435.2083 17951.7270 0.0000 0.0000 34308.0504 -149258.1938 299.6207 -183566.2442 -149162.8638 299.0855 89.3307 123.9221 556764.9475 -5.1818 -5.3524 PRESSURE: 3798800 -444.545 157.741 -141.835 157.741 -52.0952 -68.4785 -141.834 -68.4799 -240.796 GPRESSURE: 3798800 -355.178 123.17 -122.139 179.417 -124.517 -34.0918 -95.8397 -29.6419 -176.517 PRESSAVG: 3798800 28.5633 48.4121 20.4877 48.4121 -32.2473 -28.2149 20.4876 -28.2149 -34.9779 GPRESSAVG: 3798800 28.4476 50.9655 21.4601 48.8714 -32.0304 -27.7391 19.9962 -28.675 -34.9542 TIMING: 3798800 CPU: 11298.4, 0.00291565/step Wall: 11298.4, 0.00291565/step, 0.972854 hours remaining, 207.695312 MB of memory in use. ENERGY: 3798800 711.6191 2128.0483 1937.0177 133.5397 -205666.3338 17465.5378 0.0000 0.0000 34076.1050 -149214.4661 297.5951 -183290.5711 -149124.3827 299.3760 -245.8123 -218.7376 558810.9938 -12.8873 -12.8457 PRESSURE: 3799000 255.937 16.8441 -82.7389 16.8445 -29.8086 -81.2325 -82.7386 -81.2324 -27.6831 GPRESSURE: 3799000 184.536 -25.1772 -37.9992 47.3426 80.3533 -110.441 -142.427 -60.2442 23.9154 PRESSAVG: 3799000 52.1258 30.3098 13.8407 30.3097 -37.5141 -4.37492 13.8407 -4.37486 -23.2305 GPRESSAVG: 3799000 52.2932 27.5986 14.9915 31.9402 -37.8109 -3.54137 12.6873 -5.19424 -23.1295 TIMING: 3799000 CPU: 11299, 0.00295035/step Wall: 11299, 0.00295035/step, 0.984269 hours remaining, 207.695312 MB of memory in use. ENERGY: 3799000 725.6903 2144.4182 1918.6983 114.5983 -206105.8061 17949.9863 0.0000 0.0000 34258.2968 -148994.1179 299.1862 -183252.4148 -148905.3221 299.0032 66.1484 96.2682 558280.5924 -2.8729 -2.8824 PRESSURE: 3799200 7.9011 -87.8871 -1.80581 -87.8868 -142.412 324.114 -1.80481 324.114 21.7666 GPRESSURE: 3799200 25.01 -97.7532 -0.308906 -42.2108 -114.128 400.117 20.786 227.082 72.2155 PRESSAVG: 3799200 -4.53962 11.5538 -27.7234 11.5538 31.4263 74.7807 -27.7233 74.7808 -19.8127 GPRESSAVG: 3799200 -4.59605 12.1502 -29.8528 9.23737 30.4619 72.6114 -25.7884 77.0693 -19.0349 TIMING: 3799200 CPU: 11299.6, 0.00295094/step Wall: 11299.6, 0.00295094/step, 0.984304 hours remaining, 207.695312 MB of memory in use. ENERGY: 3799200 754.4534 2125.5364 1930.7098 121.0516 -205829.9951 17576.2627 0.0000 0.0000 34314.9606 -149007.0206 299.6811 -183321.9812 -148909.7623 299.4383 -37.5813 -5.6343 556062.9696 2.3580 2.2770 PRESSURE: 3799400 158.865 124.948 31.9234 124.947 -164.738 -70.6303 31.9231 -70.6297 227.076 GPRESSURE: 3799400 169.17 67.5875 -38.7148 112.572 -128.019 -62.6911 72.438 -77.4867 265.341 PRESSAVG: 3799400 62.5728 4.2979 -18.8931 4.29789 -19.5081 11.08 -18.8931 11.08 -43.3925 GPRESSAVG: 3799400 62.7475 2.61024 -18.2394 8.16106 -18.7733 12.1175 -20.7109 10.4165 -44.4996 TIMING: 3799400 CPU: 11300.2, 0.00293873/step Wall: 11300.2, 0.00293873/step, 0.980066 hours remaining, 207.695312 MB of memory in use. ENERGY: 3799400 740.9806 2102.7255 1951.8416 95.3808 -206009.4760 17809.9952 0.0000 0.0000 34266.8915 -149041.6608 299.2613 -183308.5523 -148949.8923 299.7670 73.7344 102.1642 556949.8784 -0.1092 -0.1751 PRESSURE: 3799600 -7.94895 -64.6362 93.6627 -64.6366 70.6021 90.5425 93.6634 90.545 95.2006 GPRESSURE: 3799600 9.13877 -119.203 90.1195 -16.8623 115.509 81.5422 74.8888 21.7 128.184 PRESSAVG: 3799600 -8.96985 23.599 40.1993 23.5989 -8.50764 22.3516 40.1994 22.3517 6.56844 GPRESSAVG: 3799600 -9.23062 25.3543 41.896 21.1768 -8.11928 21.318 40.0081 20.9485 6.43324 TIMING: 3799600 CPU: 11300.7, 0.00293062/step Wall: 11300.7, 0.00293062/step, 0.977198 hours remaining, 207.695312 MB of memory in use. ENERGY: 3799600 719.8044 2129.6722 1907.9179 100.1233 -206102.7020 17668.0848 0.0000 0.0000 34458.2911 -149118.8082 300.9328 -183577.0993 -149020.6672 299.5158 52.6179 84.2775 556742.2105 -3.6363 -3.6389 PRESSURE: 3799800 131.588 -102.626 96.7542 -102.627 165.883 1.79502 96.7558 1.79421 -380.72 GPRESSURE: 3799800 148.112 -110.774 140.5 -127.196 250.88 34.9209 76.7418 -21.1379 -388.753 PRESSAVG: 3799800 71.8842 -16.3851 23.7871 -16.3852 36.0695 17.912 23.7871 17.912 -103.534 GPRESSAVG: 3799800 70.3018 -18.1208 21.5959 -17.2975 35.7311 19.8107 26.7455 18.2214 -101.789 TIMING: 3799800 CPU: 11301.3, 0.00294081/step Wall: 11301.3, 0.00294081/step, 0.980434 hours remaining, 207.695312 MB of memory in use. ENERGY: 3799800 757.4309 2217.1454 1933.4610 129.6023 -205801.3465 17622.9610 0.0000 0.0000 34159.8990 -148980.8469 298.3269 -183140.7458 -148885.9453 300.1245 -27.7497 3.4127 557087.8171 1.4731 1.4145 PRESSURE: 3800000 -198.661 8.95381 -147.926 8.95479 -23.3894 -21.3584 -147.926 -21.359 -200.999 GPRESSURE: 3800000 -146.498 42.9709 -120.155 91.2249 15.6524 -61.7497 -160.49 -49.5222 -188.075 PRESSAVG: 3800000 32.4463 41.521 5.60497 41.521 4.14056 -31.707 5.60486 -31.707 17.6971 GPRESSAVG: 3800000 33.4593 42.5065 5.28574 41.5782 3.34683 -30.996 4.65257 -33.5155 17.5263 TIMING: 3800000 CPU: 11301.9, 0.00294538/step Wall: 11301.9, 0.00294538/step, 0.981794 hours remaining, 207.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3800000 753.8792 2094.5573 1902.5076 102.8262 -205559.9084 17406.0968 0.0000 0.0000 34258.8815 -149041.1597 299.1913 -183300.0413 -148946.5058 299.9919 -141.0165 -106.3069 557780.1540 18.0947 18.1108 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3800000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 3800000 WRITING COORDINATES TO RESTART FILE AT STEP 3800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3800200 124.039 -62.7675 43.6604 -62.7681 115.951 -121.84 43.6602 -121.84 93.0778 GPRESSURE: 3800200 144.419 24.4556 81.5204 -121.674 158.597 -178.633 27.8258 -153.018 128.88 PRESSAVG: 3800200 35.4678 -10.6832 -7.08348 -10.6832 -5.0966 -36.7101 -7.08354 -36.7099 -27.1024 GPRESSAVG: 3800200 36.4517 -11.9985 -7.61812 -7.98765 -5.18186 -38.3136 -7.68982 -34.9916 -28.2048 TIMING: 3800200 CPU: 11302.5, 0.00305268/step Wall: 11302.5, 0.00305268/step, 1.01739 hours remaining, 207.695312 MB of memory in use. ENERGY: 3800200 758.2447 2165.1340 1924.1879 120.0383 -206692.9505 18152.4393 0.0000 0.0000 34582.6691 -148990.2371 302.0191 -183572.9063 -148888.3941 300.1793 111.0223 143.9652 557718.3976 1.0896 1.0217 LDB: ============= START OF LOAD BALANCING ============== 11306.1 LDB: ============== END OF LOAD BALANCING =============== 11306.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11306.1 LDB: ============= START OF LOAD BALANCING ============== 11306.4 LDB: Largest compute 4796 load 0.024783 is 21.0% of average load 0.118214 LDB: Average compute 0.001728 is 1.5% of average load 0.118214 LDB: TIME 11306.4 LOAD: AVG 0.118214 MAX 0.197964 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.227 MB LDB: TIME 11306.4 LOAD: AVG 0.118214 MAX 0.197964 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.227 MB LDB: TIME 11306.4 LOAD: AVG 0.118214 MAX 0.197964 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.227 MB LDB: ============== END OF LOAD BALANCING =============== 11306.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11306.4 PRESSURE: 3800400 55.0404 68.8036 -14.9571 68.8029 -151.646 144.238 -14.9567 144.239 199.763 GPRESSURE: 3800400 90.3448 47.0269 -26.7619 118.57 -85.5179 74.8717 -20.4542 141.002 194.148 PRESSAVG: 3800400 -35.1631 44.1964 33.672 44.1964 -83.5823 -11.6065 33.6721 -11.6064 45.4907 GPRESSAVG: 3800400 -36.1031 44.9249 32.5454 42.5719 -82.6731 -10.6364 34.4052 -10.6039 45.2429 TIMING: 3800400 CPU: 11303.1, 0.00301573/step Wall: 11303.1, 0.00301573/step, 1.00491 hours remaining, 208.750000 MB of memory in use. ENERGY: 3800400 771.5342 2154.9605 1940.6639 108.6226 -206163.3122 17870.8186 0.0000 0.0000 34355.0854 -148961.6271 300.0315 -183316.7125 -148863.6906 300.3273 34.3860 66.3250 558969.5897 -24.4182 -24.5111 PRESSURE: 3800600 124.325 6.21326 36.953 6.213 -122.929 -4.68423 36.9528 -4.68518 -106.54 GPRESSURE: 3800600 98.8944 27.5826 32.8257 -24.0788 -76.9451 -22.5492 51.4137 58.9461 -35.0369 PRESSAVG: 3800600 34.8078 10.0303 22.2673 10.0302 7.97912 49.9521 22.2674 49.952 -11.2817 GPRESSAVG: 3800600 35.1144 9.6988 22.919 11.3207 6.39377 50.5814 23.0977 48.3252 -10.4203 TIMING: 3800600 CPU: 11303.7, 0.00297328/step Wall: 11303.7, 0.00297328/step, 0.990599 hours remaining, 208.949219 MB of memory in use. ENERGY: 3800600 750.2258 2151.4307 1910.8500 129.1351 -206092.6341 17722.1327 0.0000 0.0000 34415.3089 -149013.5510 300.5575 -183428.8599 -148918.0374 299.7909 -35.0482 -4.3626 558149.6779 10.5018 10.3626 PRESSURE: 3800800 -46.3135 18.6164 60.3687 18.6182 120.719 -7.42528 60.3696 -7.42433 29.3824 GPRESSURE: 3800800 24.038 89.3211 131.28 -29.6134 166.974 -7.16195 -40.8798 11.8569 16.1077 PRESSAVG: 3800800 21.8968 -16.2022 8.02848 -16.2022 2.32361 8.97561 8.02841 8.97559 0.454515 GPRESSAVG: 3800800 22.7621 -16.1128 8.06354 -16.933 3.27109 6.63758 5.91962 10.5053 -1.38257 TIMING: 3800800 CPU: 11304.3, 0.00297669/step Wall: 11304.3, 0.00297669/step, 0.991568 hours remaining, 208.949219 MB of memory in use. ENERGY: 3800800 754.8065 2141.7806 1939.1435 118.8555 -206091.9200 17854.0872 0.0000 0.0000 34336.1729 -148947.0738 299.8663 -183283.2467 -148858.4021 299.9878 34.5960 69.0400 557434.2847 8.2250 8.2169 PRESSURE: 3801000 21.7356 76.0711 -36.3524 76.0698 245.485 55.7331 -36.3522 55.7336 -20.7731 GPRESSURE: 3801000 -5.2003 145.447 16.3639 76.956 305.878 24.8325 -30.467 70.984 38.6063 PRESSAVG: 3801000 -14.413 -5.16384 12.2708 -5.16386 27.0562 20.4965 12.2709 20.4964 -23.8535 GPRESSAVG: 3801000 -15.7066 -4.207 13.0731 -6.27109 26.4024 22.9504 12.9433 20.5284 -22.0479 TIMING: 3801000 CPU: 11304.9, 0.00294099/step Wall: 11304.9, 0.00294099/step, 0.979514 hours remaining, 208.949219 MB of memory in use. ENERGY: 3801000 774.1165 2114.9548 1938.3977 108.7059 -206263.8481 18021.1992 0.0000 0.0000 34368.6543 -148937.8196 300.1500 -183306.4739 -148837.1215 300.2438 82.1493 113.0948 557798.5632 -3.7368 -3.7840 PRESSURE: 3801200 298.46 126.615 95.2012 126.615 -142.979 90.7433 95.2007 90.7431 -53.6455 GPRESSURE: 3801200 271.589 144.598 84.4366 58.9397 -100.973 128.93 56.8478 6.53632 24.6942 PRESSAVG: 3801200 17.0513 -37.0201 50.4672 -37.0201 -5.14385 15.3085 50.4673 15.3086 -9.75439 GPRESSAVG: 3801200 17.4646 -35.2005 48.7343 -40.6252 -5.06799 14.2665 50.5496 13.8831 -10.196 TIMING: 3801200 CPU: 11305.5, 0.00292838/step Wall: 11305.5, 0.00292838/step, 0.975151 hours remaining, 208.949219 MB of memory in use. ENERGY: 3801200 741.6664 2123.6502 1941.3562 107.6313 -205915.4647 17772.5083 0.0000 0.0000 34327.5557 -148901.0968 299.7911 -183228.6525 -148805.6506 300.2527 33.9450 65.1036 557276.4266 0.7177 0.7335 PRESSURE: 3801400 -205.837 -45.2042 -213.489 -45.2048 171.434 -79.7823 -213.49 -79.783 262.093 GPRESSURE: 3801400 -144.999 -17.2368 -238.5 -94.9156 140.924 -71.8883 -118.33 -89.8647 333.956 PRESSAVG: 3801400 -13.296 -30.6054 -52.8242 -30.6054 -65.1203 -31.4674 -52.8242 -31.4675 64.1018 GPRESSAVG: 3801400 -12.5439 -32.1241 -51.9816 -28.1501 -63.687 -31.9638 -51.4417 -28.7237 62.712 TIMING: 3801400 CPU: 11306.1, 0.00295691/step Wall: 11306.1, 0.00295691/step, 0.984486 hours remaining, 208.949219 MB of memory in use. ENERGY: 3801400 751.5585 2103.1856 1923.2107 123.0410 -206014.7918 17895.5763 0.0000 0.0000 34407.1152 -148811.1044 300.4859 -183218.2196 -148718.4167 299.7959 75.8964 109.9602 558613.4846 -4.7715 -4.5063 PRESSURE: 3801600 -212.401 146.709 58.7488 146.708 -125.107 202.591 58.7491 202.592 -75.4163 GPRESSURE: 3801600 -158.839 159.453 175.388 134.168 -56.1632 304.383 80.0985 86.2441 -92.8871 PRESSAVG: 3801600 23.8427 28.0331 -25.0841 28.0331 11.2537 25.9679 -25.0841 25.9678 18.7916 GPRESSAVG: 3801600 23.5973 26.1507 -24.7733 29.6932 10.8999 25.8457 -25.2694 23.1545 19.1407 TIMING: 3801600 CPU: 11306.7, 0.00296771/step Wall: 11306.7, 0.00296771/step, 0.987916 hours remaining, 208.949219 MB of memory in use. ENERGY: 3801600 751.0649 2138.6890 1918.3559 105.1054 -205799.1254 17555.2769 0.0000 0.0000 34551.8420 -148778.7912 301.7498 -183330.6332 -148680.3759 300.2770 -137.6414 -102.6297 556429.2215 17.9627 17.8793 PRESSURE: 3801800 -105.893 -68.6521 -146.402 -68.6528 47.9815 -62.3162 -146.402 -62.3168 185.868 GPRESSURE: 3801800 -59.4907 3.63907 -118.323 -112.375 56.5184 -20.8161 -122.234 -156.575 229.599 PRESSAVG: 3801800 -41.9575 2.00954 -43.9891 2.00951 51.5709 7.93741 -43.989 7.93733 41.7762 GPRESSAVG: 3801800 -42.6011 3.98603 -43.4318 0.772989 50.5781 9.18562 -46.2094 7.73 43.5612 TIMING: 3801800 CPU: 11307.3, 0.00294272/step Wall: 11307.3, 0.00294272/step, 0.979435 hours remaining, 208.949219 MB of memory in use. ENERGY: 3801800 765.0270 2111.4582 1959.2546 125.0059 -206148.0856 17810.2888 0.0000 0.0000 34581.2127 -148795.8385 302.0063 -183377.0512 -148696.7964 300.1941 42.6523 75.5422 557614.3199 17.1299 17.1794 PRESSURE: 3802000 -76.024 -68.4227 155.591 -68.4216 -67.5022 -99.3264 155.59 -99.3277 -122.573 GPRESSURE: 3802000 -19.5412 -47.4196 66.8465 -99.4668 -69.7872 -94.1155 119.145 -120.763 -63.7362 PRESSAVG: 3802000 -21.819 -38.5973 7.57001 -38.5974 14.2912 29.7851 7.56992 29.7851 18.9745 GPRESSAVG: 3802000 -21.5746 -40.0903 5.94578 -39.4526 16.1251 30.6376 10.6768 29.2775 17.3989 TIMING: 3802000 CPU: 11307.9, 0.0029593/step Wall: 11307.9, 0.0029593/step, 0.984788 hours remaining, 208.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3802000 745.3425 2091.6216 1926.2515 121.4331 -205743.9857 17558.4503 0.0000 0.0000 34571.4224 -148729.4642 301.9208 -183300.8866 -148632.6919 300.7110 -88.6997 -51.0215 558676.4794 3.8156 3.9831 PRESSURE: 3802200 98.8025 -69.1916 -43.4141 -69.191 -139.32 -56.7332 -43.4147 -56.7335 -174.247 GPRESSURE: 3802200 75.2232 -47.3263 -14.3326 -98.75 -78.7103 -104.231 -89.6836 -32.2863 -122.042 PRESSAVG: 3802200 -50.8122 -14.3887 28.0215 -14.3888 44.638 -6.60398 28.0215 -6.60403 2.6618 GPRESSAVG: 3802200 -51.2549 -14.783 29.8925 -12.2713 44.7618 -7.40758 25.2819 -4.56724 2.72422 TIMING: 3802200 CPU: 11308.5, 0.0029752/step Wall: 11308.5, 0.0029752/step, 0.989916 hours remaining, 208.949219 MB of memory in use. ENERGY: 3802200 779.9718 2099.5838 1927.1275 118.0249 -205842.9464 17722.8127 0.0000 0.0000 34470.5268 -148724.8989 301.0397 -183195.4257 -148636.2362 301.3250 -71.5881 -41.8429 558328.2283 -1.1708 -1.2563 PRESSURE: 3802400 -28.0416 -90.2452 5.05198 -90.2457 -242.754 94.2522 5.05041 94.2527 87.4118 GPRESSURE: 3802400 -12.8507 -129.679 -77.8768 28.6864 -156.395 11.2771 -16.395 141.149 95.8467 PRESSAVG: 3802400 -21.6156 -1.4063 -2.41429 -1.40629 -52.6228 -37.5267 -2.41432 -37.5267 28.4672 GPRESSAVG: 3802400 -20.0129 -1.08603 -3.03763 -3.70966 -53.5694 -38.0337 -0.733373 -37.4285 28.3505 TIMING: 3802400 CPU: 11309, 0.00294835/step Wall: 11309, 0.00294835/step, 0.980818 hours remaining, 208.949219 MB of memory in use. ENERGY: 3802400 727.1876 2118.6724 1920.8123 114.9924 -206223.4995 17841.4308 0.0000 0.0000 34502.1074 -148998.2966 301.3155 -183500.4040 -148897.6554 300.6724 -61.1279 -24.4662 558185.1013 -15.2570 -15.0772 PRESSURE: 3802600 -333.06 96.7757 259.573 96.7749 -174.26 -52.9608 259.572 -52.9613 -257.327 GPRESSURE: 3802600 -316.965 26.0478 194.227 143.03 -109.489 -39.0767 296.552 -63.7991 -233.145 PRESSAVG: 3802600 9.02874 12.3447 -21.7013 12.3447 23.4366 -34.23 -21.7012 -34.2299 -21.5136 GPRESSAVG: 3802600 7.60172 13.6712 -23.8405 11.8122 23.6942 -34.2112 -21.5984 -35.5636 -20.3089 TIMING: 3802600 CPU: 11309.6, 0.0029638/step Wall: 11309.6, 0.0029638/step, 0.985794 hours remaining, 208.949219 MB of memory in use. ENERGY: 3802600 746.9179 2039.6786 1916.4268 105.3181 -205499.3675 17463.1756 0.0000 0.0000 33974.6271 -149253.2235 296.7089 -183227.8506 -149153.5199 299.0108 -254.8824 -219.8662 558395.2298 3.6506 3.6623 PRESSURE: 3802800 58.0204 92.7444 96.6239 92.7433 -168.791 -29.1886 96.6239 -29.1877 -159.729 GPRESSURE: 3802800 40.4889 102.03 24.9602 179.093 -103.895 -54.9623 143.689 12.0157 -114.965 PRESSAVG: 3802800 3.60842 -8.35262 -0.583495 -8.35267 15.1349 -75.4747 -0.583588 -75.4748 0.849114 GPRESSAVG: 3802800 2.91486 -8.20243 0.746424 -8.28479 16.0625 -75.7831 -1.9106 -73.2373 0.511194 TIMING: 3802800 CPU: 11310.2, 0.00295106/step Wall: 11310.2, 0.00295106/step, 0.981391 hours remaining, 208.949219 MB of memory in use. ENERGY: 3802800 724.4728 2115.1193 1923.4646 109.3530 -206419.0408 17771.0816 0.0000 0.0000 34407.8889 -149367.6606 300.4927 -183775.5495 -149273.9277 299.0181 -90.1668 -59.4571 556322.2445 6.5308 6.4962 PRESSURE: 3803000 -108.084 -9.08104 125.025 -9.0804 -103.542 -134.191 125.025 -134.19 19.6262 GPRESSURE: 3803000 -21.9748 -51.4681 122.749 57.4048 -121.906 -105.126 85.8886 -89.4622 51.3348 PRESSAVG: 3803000 7.16722 35.7189 10.1951 35.7189 -6.69731 1.49423 10.1951 1.49442 -10.2241 GPRESSAVG: 3803000 8.31294 34.534 8.31838 36.5346 -6.80066 0.0936411 11.2992 3.34891 -11.2629 TIMING: 3803000 CPU: 11310.8, 0.00298091/step Wall: 11310.8, 0.00298091/step, 0.991152 hours remaining, 208.949219 MB of memory in use. ENERGY: 3803000 752.7625 2087.2001 1914.4526 112.2941 -205864.7049 17604.4696 0.0000 0.0000 34043.0627 -149350.4633 297.3065 -183393.5260 -149251.5430 298.7855 -63.9999 -30.8486 557169.0585 -3.2514 -3.2502 PRESSURE: 3803200 -184.551 -132.897 63.2817 -132.897 -95.3778 -125.648 63.2816 -125.648 -142.653 GPRESSURE: 3803200 -175.13 -154.401 6.99291 -74.7814 -43.5077 -97.0546 76.5769 -86.4291 -104.501 PRESSAVG: 3803200 -40.5443 -13.8421 -50.5426 -13.8421 24.2618 28.2979 -50.5424 28.2979 31.8463 GPRESSAVG: 3803200 -40.135 -15.1726 -48.2909 -13.9973 22.9467 29.7324 -51.4984 25.7835 32.9738 TIMING: 3803200 CPU: 11311.4, 0.00293941/step Wall: 11311.4, 0.00293941/step, 0.97719 hours remaining, 208.949219 MB of memory in use. ENERGY: 3803200 759.1449 2102.5459 1910.4469 121.1876 -206473.1478 17837.5816 0.0000 0.0000 34242.1098 -149500.1313 299.0449 -183742.2411 -149395.5248 298.6939 -140.8607 -107.7130 558191.4607 5.1879 5.2618 PRESSURE: 3803400 -251.311 23.6027 -135.669 23.6029 93.4994 13.5994 -135.669 13.5995 -55.9149 GPRESSURE: 3803400 -265.024 2.1858 -117.378 6.66015 138.698 38.5768 -72.6292 18.9736 3.61639 PRESSAVG: 3803400 -82.9497 -18.698 -9.65795 -18.6979 107.473 7.97389 -9.65799 7.97395 8.42758 GPRESSAVG: 3803400 -83.8673 -19.857 -9.47276 -18.4581 107.781 6.05401 -9.36347 10.3095 9.72027 TIMING: 3803400 CPU: 11312, 0.00293889/step Wall: 11312, 0.00293889/step, 0.976853 hours remaining, 208.949219 MB of memory in use. ENERGY: 3803400 729.9925 2169.4500 1920.6973 116.9915 -206397.2432 17782.0497 0.0000 0.0000 34129.3454 -149548.7169 298.0601 -183678.0623 -149460.8113 298.4492 -71.2422 -40.9032 557702.8733 10.9835 11.2114 PRESSURE: 3803600 135.778 48.0338 -9.07589 48.0344 -4.22603 2.32196 -9.07691 2.32322 2.73108 GPRESSURE: 3803600 127.8 10.8082 -27.3264 31.8137 108.388 -4.98459 -18.2258 34.0378 7.61543 PRESSAVG: 3803600 -97.9415 43.157 -66.822 43.157 58.8331 17.1983 -66.8219 17.1983 16.2097 GPRESSAVG: 3803600 -97.7234 43.7054 -66.0439 43.4668 58.7408 18.1284 -65.8334 15.995 16.1179 TIMING: 3803600 CPU: 11312.6, 0.00292773/step Wall: 11312.6, 0.00292773/step, 0.972983 hours remaining, 208.949219 MB of memory in use. ENERGY: 3803600 757.9673 2073.2176 1916.9541 123.0288 -206565.2049 18079.8639 0.0000 0.0000 34174.4506 -149439.7226 298.4540 -183614.1732 -149351.5753 298.3079 44.7611 81.2678 557763.4219 -7.6329 -7.6216 PRESSURE: 3803800 -59.5217 -14.1208 70.4041 -14.1217 -32.0963 155.468 70.4047 155.469 -126.342 GPRESSURE: 3803800 -47.7158 46.6326 108.094 3.05158 24.2184 50.189 117.305 268.168 -94.534 PRESSAVG: 3803800 2.47483 47.7345 -21.5205 47.7345 36.7598 -2.66538 -21.5207 -2.6655 -46.4897 GPRESSAVG: 3803800 1.85638 49.3631 -22.273 48.5133 37.5716 -2.86175 -22.8786 -2.46475 -46.6292 TIMING: 3803800 CPU: 11313.2, 0.00292199/step Wall: 11313.2, 0.00292199/step, 0.970914 hours remaining, 208.949219 MB of memory in use. ENERGY: 3803800 741.7878 2080.0427 1953.9197 125.1909 -205923.2936 17599.8654 0.0000 0.0000 34185.5312 -149236.9560 298.5507 -183422.4872 -149139.1569 298.6891 -72.6533 -39.3438 558353.3596 -2.4183 -2.4004 PRESSURE: 3804000 -264.895 -62.0454 94.6503 -62.046 -281.914 -60.7338 94.6506 -60.7343 -182.949 GPRESSURE: 3804000 -262.067 -37.2027 70.8042 -96.9401 -229.823 -33.5776 80.4467 -51.8179 -131.31 PRESSAVG: 3804000 -38.5875 27.8008 -11.6429 27.8008 28.2456 -47.94 -11.6428 -47.9399 -9.74256 GPRESSAVG: 3804000 -36.0637 28.2167 -11.4272 25.5475 26.6195 -47.5342 -10.6101 -47.4982 -11.3718 TIMING: 3804000 CPU: 11313.8, 0.0029355/step Wall: 11313.8, 0.0029355/step, 0.975239 hours remaining, 208.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3804000 746.4425 2112.6691 1893.7408 106.5832 -205810.7917 17422.7103 0.0000 0.0000 34308.1625 -149220.4832 299.6217 -183528.6457 -149124.4097 299.5721 -243.2526 -207.7333 558570.0552 -6.6948 -6.9387 PRESSURE: 3804200 -239.255 93.3501 -92.8131 93.3498 99.9175 70.6999 -92.8118 70.7005 39.4134 GPRESSURE: 3804200 -187.546 17.0066 -19.0549 31.2027 123.418 -67.3526 -101.839 52.3586 69.3114 PRESSAVG: 3804200 -35.6319 -3.27154 -63.3033 -3.2716 6.50328 41.1896 -63.3031 41.1895 41.3928 GPRESSAVG: 3804200 -36.3355 -3.86801 -62.6302 -1.78258 6.78902 38.6379 -64.2121 40.5091 42.5612 TIMING: 3804200 CPU: 11314.3, 0.00294291/step Wall: 11314.3, 0.00294291/step, 0.977536 hours remaining, 208.949219 MB of memory in use. ENERGY: 3804200 742.7019 2085.0764 1912.4782 131.7941 -206092.4128 17757.4917 0.0000 0.0000 34292.0136 -149170.8569 299.4807 -183462.8705 -149076.8726 299.6101 -33.3080 1.7276 556967.3155 4.0880 4.3382 LDB: ============= START OF LOAD BALANCING ============== 11317.9 LDB: ============== END OF LOAD BALANCING =============== 11317.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11317.9 LDB: ============= START OF LOAD BALANCING ============== 11318.2 LDB: Largest compute 4796 load 0.023145 is 19.6% of average load 0.118295 LDB: Average compute 0.001723 is 1.5% of average load 0.118295 LDB: TIME 11318.2 LOAD: AVG 0.118295 MAX 0.197908 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.504 MB LDB: TIME 11318.2 LOAD: AVG 0.118295 MAX 0.197908 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.508 MB LDB: TIME 11318.2 LOAD: AVG 0.118295 MAX 0.197908 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.508 MB LDB: ============== END OF LOAD BALANCING =============== 11318.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11318.2 PRESSURE: 3804400 -73.1661 20.2293 -56.1031 20.2286 -236.31 84.0837 -56.1019 84.0834 -120.295 GPRESSURE: 3804400 -31.8963 51.1778 -88.6446 61.5352 -207.432 58.5033 -72.0697 92.0819 -87.3081 PRESSAVG: 3804400 -7.29871 -28.6238 -55.1673 -28.6239 -6.37086 63.0201 -55.1672 63.0202 14.4156 GPRESSAVG: 3804400 -7.66313 -28.549 -54.0959 -29.4222 -5.29102 65.1763 -56.5909 62.4763 13.7184 TIMING: 3804400 CPU: 11315, 0.0030277/step Wall: 11315, 0.0030277/step, 1.00553 hours remaining, 206.503906 MB of memory in use. ENERGY: 3804400 766.8198 2091.2882 1939.0682 118.0118 -205900.2975 17483.9820 0.0000 0.0000 34337.5069 -149163.6206 299.8780 -183501.1275 -149064.4110 298.4951 -143.2572 -108.8788 556606.3190 0.2487 0.2548 PRESSURE: 3804600 -202.4 -57.9273 145.34 -57.9263 -69.2965 -14.4376 145.339 -14.4371 -249.35 GPRESSURE: 3804600 -134.9 -61.4376 142.82 44.4006 -120.095 -32.5682 168.667 -74.7104 -169.615 PRESSAVG: 3804600 -26.926 -4.11306 -1.17655 -4.11303 0.570767 2.59808 -1.17655 2.59798 15.967 GPRESSAVG: 3804600 -26.6831 -2.8375 -2.66776 -3.45808 -0.906643 1.0887 1.36645 3.34655 16.5134 TIMING: 3804600 CPU: 11315.5, 0.00296087/step Wall: 11315.5, 0.00296087/step, 0.983173 hours remaining, 206.503906 MB of memory in use. ENERGY: 3804600 723.9570 2091.6010 1896.7779 119.3532 -205765.7943 17487.5639 0.0000 0.0000 34143.2345 -149303.3068 298.1814 -183446.5413 -149212.1310 299.2198 -173.6820 -141.5368 558808.2852 -3.4627 -3.6921 PRESSURE: 3804800 87.9236 6.61588 -119.655 6.61637 -90.3658 -121.955 -119.655 -121.955 -3.52318 GPRESSURE: 3804800 83.4578 23.2568 -32.4787 -86.8168 -67.8291 -84.2832 -190.108 -71.1578 68.674 PRESSAVG: 3804800 -43.024 -41.578 -23.9242 -41.578 -17.9672 4.51849 -23.9242 4.51842 52.27 GPRESSAVG: 3804800 -44.503 -44.0642 -23.5817 -41.0454 -17.349 4.06342 -24.978 5.91352 53.0308 TIMING: 3804800 CPU: 11316.1, 0.00296402/step Wall: 11316.1, 0.00296402/step, 0.984054 hours remaining, 206.503906 MB of memory in use. ENERGY: 3804800 721.8640 2054.0504 1909.6870 119.4548 -205950.1185 17629.4175 0.0000 0.0000 34508.1435 -149007.5014 301.3682 -183515.6448 -148915.7974 299.8914 -1.9884 28.1009 557757.7116 -2.9071 -2.9404 PRESSURE: 3805000 -172.806 -29.8306 -28.7768 -29.8283 -162.081 120.372 -28.7775 120.373 -51.5672 GPRESSURE: 3805000 -150.546 -132.056 -12.3679 36.3128 -50.2686 175.05 -22.8427 124.118 -84.859 PRESSAVG: 3805000 -97.4591 4.56968 -3.03176 4.56969 46.6181 -14.8148 -3.03165 -14.8148 18.3074 GPRESSAVG: 3805000 -96.2807 6.39268 -3.36617 2.47269 46.958 -14.6253 -4.02041 -15.1207 17.3059 TIMING: 3805000 CPU: 11316.7, 0.00292648/step Wall: 11316.7, 0.00292648/step, 0.97143 hours remaining, 206.503906 MB of memory in use. ENERGY: 3805000 746.7020 2126.2609 1961.6373 104.1607 -205905.1728 17647.3095 0.0000 0.0000 34387.1555 -148931.9469 300.3116 -183319.1024 -148839.1083 300.0222 -128.8181 -95.2245 557918.8045 -10.8445 -10.6723 PRESSURE: 3805200 -234.76 245.35 -58.4735 245.35 106.441 1.52672 -58.4735 1.52686 48.0354 GPRESSURE: 3805200 -175.62 134.559 -87.4751 236.272 128.96 36.147 -49.8594 -16.9442 67.7652 PRESSAVG: 3805200 -88.9926 -36.6008 -12.4207 -36.6007 40.7298 11.5982 -12.4206 11.5983 43.3506 GPRESSAVG: 3805200 -88.8075 -36.7688 -12.3832 -35.6124 39.917 12.0734 -11.5925 9.70839 44.1813 TIMING: 3805200 CPU: 11317.3, 0.00294116/step Wall: 11317.3, 0.00294116/step, 0.976138 hours remaining, 206.503906 MB of memory in use. ENERGY: 3805200 753.6370 2045.9569 1934.2981 112.4074 -205846.1567 17684.5501 0.0000 0.0000 34277.6671 -149037.6402 299.3554 -183315.3073 -148938.5051 300.0946 -26.7612 7.0352 557484.3093 -1.6374 -1.5697 PRESSURE: 3805400 74.4393 -211.574 13.2739 -211.573 342.773 55.7966 13.2744 55.797 101.994 GPRESSURE: 3805400 117.228 -207.564 108.206 -216.335 331.838 4.54397 -2.41316 89.8194 175.932 PRESSAVG: 3805400 -4.64262 -79.4364 -15.1992 -79.4365 29.9028 -31.2299 -15.1992 -31.2299 -9.86971 GPRESSAVG: 3805400 -4.10652 -79.0541 -15.6036 -76.9095 29.6666 -30.4148 -14.088 -32.1298 -10.1402 TIMING: 3805400 CPU: 11317.9, 0.00292944/step Wall: 11317.9, 0.00292944/step, 0.972085 hours remaining, 206.503906 MB of memory in use. ENERGY: 3805400 743.6067 2035.5670 1924.0214 111.1536 -206456.8233 18106.8293 0.0000 0.0000 34397.6760 -149137.9694 300.4035 -183535.6454 -149044.5485 299.6967 173.0687 208.3328 554963.6698 5.1301 5.1400 PRESSURE: 3805600 -34.7662 26.8741 205.856 26.8752 -9.36101 16.3305 205.855 16.3299 174.798 GPRESSURE: 3805600 -82.1799 -9.7485 216.686 -45.7073 83.8864 40.0403 226.244 -33.4783 213.468 PRESSAVG: 3805600 22.7199 -23.1452 -33.0541 -23.1452 -3.40938 -17.9807 -33.0541 -17.9807 -37.6207 GPRESSAVG: 3805600 20.8989 -23.4148 -33.1178 -23.1173 -1.78102 -17.3265 -33.9908 -18.8048 -37.5986 TIMING: 3805600 CPU: 11318.5, 0.00293871/step Wall: 11318.5, 0.00293871/step, 0.974998 hours remaining, 206.503906 MB of memory in use. ENERGY: 3805600 753.9274 2070.6519 1937.7812 115.1587 -206032.0097 17855.3053 0.0000 0.0000 34319.6525 -148979.5326 299.7221 -183299.1852 -148884.2239 300.2547 43.5569 71.7248 557029.1427 -6.1034 -6.1602 PRESSURE: 3805800 -146.19 93.9401 -62.2131 93.9401 -60.2898 32.1679 -62.2122 32.168 178.44 GPRESSURE: 3805800 -142.831 1.9566 -46.7543 97.1543 0.350463 72.6367 -59.8795 17.0722 201.562 PRESSAVG: 3805800 20.1167 44.0817 -12.3696 44.0816 21.7041 12.1701 -12.3696 12.1703 2.19006 GPRESSAVG: 3805800 20.0616 42.5426 -11.9039 44.4055 21.0012 10.9266 -12.3716 13.4089 2.65974 TIMING: 3805800 CPU: 11319.1, 0.00296071/step Wall: 11319.1, 0.00296071/step, 0.982133 hours remaining, 206.503906 MB of memory in use. ENERGY: 3805800 724.6382 2074.7042 1912.1983 117.4543 -205918.3606 17711.8452 0.0000 0.0000 34460.2642 -148917.2562 300.9501 -183377.5205 -148823.6681 299.3557 -9.3467 19.6940 557527.5718 14.6703 14.5742 PRESSURE: 3806000 286.716 -6.79791 57.4748 -6.79768 -12.3069 -69.6905 57.4738 -69.6883 -57.9029 GPRESSURE: 3806000 331.229 -33.1863 69.2239 15.721 -5.35239 -84.6543 11.4639 18.4896 -3.69031 PRESSAVG: 3806000 -41.6344 -29.984 38.2272 -29.984 -2.98188 0.776221 38.2273 0.776182 -32.8885 GPRESSAVG: 3806000 -40.9145 -27.8108 37.5269 -31.6878 -4.45795 2.52737 39.3843 0.884516 -32.6039 TIMING: 3806000 CPU: 11319.7, 0.00294842/step Wall: 11319.7, 0.00294842/step, 0.977892 hours remaining, 206.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3806000 776.1217 2101.6726 1923.8746 108.2784 -206115.1351 17990.3327 0.0000 0.0000 34412.1498 -148802.7053 300.5299 -183214.8551 -148709.5984 300.0703 72.1687 107.3956 559777.6169 -25.8349 -25.9921 PRESSURE: 3806200 82.2524 58.1612 -34.8988 58.1624 83.4767 -211.278 -34.898 -211.277 60.3019 GPRESSURE: 3806200 62.5146 37.4474 0.677029 69.1319 181.389 -205.184 66.6893 -98.427 90.0539 PRESSAVG: 3806200 65.1832 -14.2019 -0.793205 -14.2019 13.5147 -46.6127 -0.793245 -46.6127 -98.3158 GPRESSAVG: 3806200 64.1513 -15.1373 -0.984968 -14.591 16.1135 -48.0777 -2.86139 -46.5045 -99.6242 TIMING: 3806200 CPU: 11320.3, 0.00294427/step Wall: 11320.3, 0.00294427/step, 0.976353 hours remaining, 206.503906 MB of memory in use. ENERGY: 3806200 703.8954 2114.1159 1943.2591 116.0745 -206140.7382 17969.6307 0.0000 0.0000 34384.7488 -148909.0139 300.2906 -183293.7627 -148819.1077 300.9342 75.3437 111.3193 558475.3090 -6.5393 -6.4531 PRESSURE: 3806400 -252.28 64.6254 -109.117 64.6257 117.882 -44.4058 -109.117 -44.4023 -31.9195 GPRESSURE: 3806400 -201.374 91.0795 -140.645 24.0438 124.199 -54.2961 -86.2267 -72.7627 16.2805 PRESSAVG: 3806400 44.1934 44.3367 37.6152 44.3368 -8.22955 -7.99526 37.6151 -7.99526 -2.9253 GPRESSAVG: 3806400 44.3689 44.2688 38.0204 44.1343 -8.06569 -7.80702 38.8232 -8.64987 -3.34729 TIMING: 3806400 CPU: 11320.8, 0.00295016/step Wall: 11320.8, 0.00295016/step, 0.978142 hours remaining, 206.503906 MB of memory in use. ENERGY: 3806400 764.8220 2062.3395 1928.4269 103.1254 -205604.8066 17633.4543 0.0000 0.0000 34338.1876 -148774.4508 299.8839 -183112.6384 -148680.6763 300.1367 -55.4389 -20.2981 557171.6871 11.0129 10.9853 PRESSURE: 3806600 143.49 -76.0469 -55.5018 -76.046 46.6725 -56.5902 -55.5015 -56.5889 12.2329 GPRESSURE: 3806600 164.954 -129.61 -78.277 -64.5549 99.1648 -17.9002 27.9437 -61.8582 33.2069 PRESSAVG: 3806600 -13.9802 -8.35296 19.3294 -8.35295 10.2244 -30.1975 19.3295 -30.1974 21.0557 GPRESSAVG: 3806600 -12.9779 -8.4779 20.1392 -7.03453 9.47737 -29.3725 18.8014 -29.6563 21.3546 TIMING: 3806600 CPU: 11321.4, 0.00294695/step Wall: 11321.4, 0.00294695/step, 0.976913 hours remaining, 206.503906 MB of memory in use. ENERGY: 3806600 762.8386 2090.9947 1907.6098 126.2713 -205727.6391 17876.7955 0.0000 0.0000 34034.9325 -148928.1968 297.2355 -182963.1293 -148832.2703 299.8976 67.4651 99.1086 557838.5285 5.7666 5.9514 PRESSURE: 3806800 20.5404 -48.786 6.41114 -48.7851 -108.916 -22.5462 6.41114 -22.5455 -56.0663 GPRESSURE: 3806800 81.0045 -72.3771 -41.8431 -70.592 -117.545 66.0109 -85.9301 -7.62088 -20.112 PRESSAVG: 3806800 -24.2144 -1.06863 42.6949 -1.0686 -11.0492 -5.21247 42.6949 -5.21245 43.3218 GPRESSAVG: 3806800 -24.7575 -1.2595 41.9807 -1.93412 -10.3992 -4.51804 42.2753 -3.7078 43.2299 TIMING: 3806800 CPU: 11322, 0.00294064/step Wall: 11322, 0.00294064/step, 0.974658 hours remaining, 206.503906 MB of memory in use. ENERGY: 3806800 705.5300 2078.4649 1921.4831 102.0640 -205705.8310 17597.1761 0.0000 0.0000 34348.6728 -148952.4402 299.9755 -183301.1131 -148852.4101 299.2978 -48.1473 -18.8843 558179.4842 2.6861 2.6911 PRESSURE: 3807000 -394.681 -183.586 11.4035 -183.585 -109.508 56.9338 11.4027 56.9343 -9.56863 GPRESSURE: 3807000 -320.932 -161.198 55.5063 -308.187 -68.1201 74.8797 48.2726 96.9045 -28.263 PRESSAVG: 3807000 -21.3482 -16.8871 -17.6847 -16.8871 -6.34241 -6.96472 -17.6847 -6.96473 12.7024 GPRESSAVG: 3807000 -20.0118 -16.7306 -16.8457 -18.0692 -7.70961 -6.51382 -16.6433 -9.06067 13.2442 TIMING: 3807000 CPU: 11322.6, 0.00292779/step Wall: 11322.6, 0.00292779/step, 0.970239 hours remaining, 206.503906 MB of memory in use. ENERGY: 3807000 754.2812 2072.8929 1921.5356 106.3974 -205531.6340 17412.0477 0.0000 0.0000 34292.2396 -148972.2396 299.4827 -183264.4792 -148884.9550 299.5660 -171.2525 -139.1050 557514.6363 -4.9961 -4.8257 PRESSURE: 3807200 58.5335 129.352 30.5485 129.352 94.7706 -11.0271 30.547 -11.0278 -110.043 GPRESSURE: 3807200 71.767 195.836 -59.7723 106.146 103.433 -15.5478 -23.9529 -46.6432 -30.9105 PRESSAVG: 3807200 13.0763 -21.6068 15.2375 -21.6068 -52.7421 33.5269 15.2375 33.5269 45.0443 GPRESSAVG: 3807200 12.1577 -21.6253 13.5912 -19.5897 -51.1602 31.8265 15.503 34.0033 44.3068 TIMING: 3807200 CPU: 11323.2, 0.00291072/step Wall: 11323.2, 0.00291072/step, 0.96442 hours remaining, 206.503906 MB of memory in use. ENERGY: 3807200 770.1428 2103.7048 1930.6134 105.5667 -205789.4247 17726.7688 0.0000 0.0000 34224.7074 -148927.9207 298.8929 -183152.6281 -148834.2297 299.5941 14.4203 48.0966 557807.3938 1.7928 1.7681 PRESSURE: 3807400 208.355 -89.218 48.3107 -89.2173 193.363 130.193 48.3103 130.193 -128.722 GPRESSURE: 3807400 148.453 -79.0047 76.4816 -74.67 298.373 144.52 -31.9535 90.8026 -75.1157 PRESSAVG: 3807400 27.0999 -30.708 37.7401 -30.708 -32.4737 28.9793 37.74 28.9792 -6.13823 GPRESSAVG: 3807400 27.5257 -30.8818 39.3026 -30.1309 -33.2449 29.0617 36.9188 28.3232 -5.77501 TIMING: 3807400 CPU: 11323.8, 0.00291224/step Wall: 11323.8, 0.00291224/step, 0.964762 hours remaining, 206.503906 MB of memory in use. ENERGY: 3807400 763.1188 2083.2937 1948.3859 102.8763 -205947.5465 17929.8465 0.0000 0.0000 34352.6131 -148767.4123 300.0099 -183120.0254 -148666.0134 300.3408 90.9986 123.9034 556536.0426 -3.8373 -3.8314 PRESSURE: 3807600 -74.635 -85.6826 -61.4389 -85.6827 -177.114 -26.7602 -61.4385 -26.7603 -139.691 GPRESSURE: 3807600 -16.1628 -117.72 -33.9844 -94.3797 -152.745 -38.3469 -88.6246 -8.13803 -109.054 PRESSAVG: 3807600 45.7264 -0.772397 87.8726 -0.7723 14.7717 -25.2166 87.8726 -25.2166 -9.86655 GPRESSAVG: 3807600 45.1684 -1.49097 87.2195 -0.227171 15.0386 -24.6907 89.2961 -22.3982 -9.55152 TIMING: 3807600 CPU: 11324.4, 0.00293498/step Wall: 11324.4, 0.00293497/step, 0.972129 hours remaining, 206.503906 MB of memory in use. ENERGY: 3807600 765.7869 2103.9403 1932.4170 115.2830 -205504.2380 17393.6641 0.0000 0.0000 34441.8108 -148751.3358 300.7889 -183193.1466 -148657.5096 301.0105 -130.4798 -92.6542 556964.8740 16.8772 16.8851 PRESSURE: 3807800 -85.5356 -146.916 -22.7733 -146.915 -94.1076 -20.4006 -22.7733 -20.4002 189.435 GPRESSURE: 3807800 -21.7212 -229.149 -44.9104 -75.0116 -48.9606 -94.0418 -29.4603 -47.0261 188.554 PRESSAVG: 3807800 21.934 1.71486 -12.9312 1.71489 -58.5698 2.70486 -12.9312 2.70477 16.8941 GPRESSAVG: 3807800 21.2038 3.22716 -13.7711 -0.299553 -57.9955 1.33286 -14.3064 0.177329 16.5199 TIMING: 3807800 CPU: 11325, 0.00295003/step Wall: 11325, 0.00295003/step, 0.976952 hours remaining, 206.503906 MB of memory in use. ENERGY: 3807800 732.4475 2142.4208 1951.3408 131.3431 -205474.4944 17565.3823 0.0000 0.0000 34309.5090 -148642.0509 299.6335 -182951.5599 -148552.0552 301.1969 3.2641 39.2907 557751.1587 -6.5806 -6.7573 PRESSURE: 3808000 -140.533 148.966 -30.7217 148.967 -134.099 71.7701 -30.7217 71.7709 121.227 GPRESSURE: 3808000 -113.733 188.994 -137.746 118.605 -115.183 169.488 22.6175 -27.1314 169.425 PRESSAVG: 3808000 49.7516 14.0648 -12.7167 14.0648 -50.1461 -64.0345 -12.7168 -64.0345 67.6096 GPRESSAVG: 3808000 50.7571 13.9503 -11.3014 15.9916 -50.8418 -62.5732 -13.8577 -62.7436 67.4524 TIMING: 3808000 CPU: 11325.5, 0.00291672/step Wall: 11325.5, 0.00291672/step, 0.965757 hours remaining, 206.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3808000 739.6000 2067.0220 1941.4699 113.1936 -205592.8968 17668.4586 0.0000 0.0000 34561.7238 -148501.4288 301.8361 -183063.1526 -148400.4565 301.2013 -51.1349 -19.8302 558498.2536 22.4050 22.4559 PRESSURE: 3808200 -252.609 -47.4244 17.1064 -47.4244 -315.68 124.114 17.1067 124.113 -290.859 GPRESSURE: 3808200 -257.528 -58.0447 31.723 -89.192 -279.506 141.433 -25.4816 87.4901 -214.863 PRESSAVG: 3808200 -17.4986 -16.6983 -15.1588 -16.6982 -23.5225 -4.00807 -15.159 -4.00815 52.9863 GPRESSAVG: 3808200 -18.6838 -16.1727 -15.6961 -17.6347 -23.5264 -5.9703 -13.7367 -2.22758 54.308 TIMING: 3808200 CPU: 11326.1, 0.0029298/step Wall: 11326.1, 0.0029298/step, 0.969928 hours remaining, 206.503906 MB of memory in use. ENERGY: 3808200 739.5932 2034.8385 1955.0442 119.1962 -205461.2787 17307.6936 0.0000 0.0000 34754.9805 -148549.9326 303.5239 -183304.9130 -148459.6030 301.4577 -286.3828 -250.6321 557995.3856 3.9884 4.0326 LDB: ============= START OF LOAD BALANCING ============== 11329.7 LDB: ============== END OF LOAD BALANCING =============== 11329.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11329.7 LDB: ============= START OF LOAD BALANCING ============== 11330 LDB: Largest compute 4802 load 0.024731 is 20.9% of average load 0.118376 LDB: Average compute 0.001732 is 1.5% of average load 0.118376 LDB: TIME 11330 LOAD: AVG 0.118376 MAX 0.196738 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.785 MB LDB: TIME 11330 LOAD: AVG 0.118376 MAX 0.196738 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.859 MB LDB: TIME 11330 LOAD: AVG 0.118376 MAX 0.196738 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.859 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11330 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11330 PRESSURE: 3808400 -130.84 -15.8948 78.5341 -15.8945 -94.7499 168.602 78.5347 168.602 0.16694 GPRESSURE: 3808400 -118.416 -46.244 -11.0526 9.33251 -25.7879 174.99 90.1195 173.076 10.6275 PRESSAVG: 3808400 -8.599 -57.2349 -5.85261 -57.2349 -4.36399 -17.8638 -5.85258 -17.864 15.3751 GPRESSAVG: 3808400 -8.43479 -58.2564 -4.58912 -57.1786 -3.64722 -15.7427 -6.98022 -19.0767 14.4483 TIMING: 3808400 CPU: 11326.7, 0.0029733/step Wall: 11326.7, 0.0029733/step, 0.984164 hours remaining, 206.542969 MB of memory in use. ENERGY: 3808400 739.5007 2112.6572 1940.1019 105.7748 -205881.4210 17783.0842 0.0000 0.0000 34660.6441 -148539.6581 302.7000 -183200.3022 -148446.6798 301.0419 -75.1409 -44.5254 558245.0986 0.8040 0.7888 PRESSURE: 3808600 195.129 -65.7382 80.1546 -65.7385 -219.945 56.3936 80.1545 56.3904 373.678 GPRESSURE: 3808600 218.465 -38.2561 24.8942 -33.011 -180.997 84.9985 80.5172 -28.3617 399.435 PRESSAVG: 3808600 -2.16613 -35.1394 14.8215 -35.1394 -16.2554 49.0686 14.8215 49.0685 -16.6338 GPRESSAVG: 3808600 -1.75128 -35.366 13.6367 -33.9787 -17.391 46.6722 15.4678 48.773 -16.3349 TIMING: 3808600 CPU: 11327.3, 0.00293202/step Wall: 11327.3, 0.00293202/step, 0.970334 hours remaining, 206.542969 MB of memory in use. ENERGY: 3808600 734.4745 2126.7288 1910.4038 108.1942 -205856.5790 17821.4728 0.0000 0.0000 34583.1237 -148572.1813 302.0230 -183155.3050 -148475.4427 301.4137 116.2872 145.6341 557959.6667 -11.6851 -11.8257 PRESSURE: 3808800 -201.718 78.4845 99.5147 78.4857 -19.3725 -81.0405 99.5145 -81.0401 -272.366 GPRESSURE: 3808800 -122.541 94.8497 76.0758 88.1367 -26.5042 -51.9983 85.6137 -118.291 -241.161 PRESSAVG: 3808800 -68.662 -0.821964 58.5868 -0.821988 -23.6282 -20.9821 58.5868 -20.9821 62.5648 GPRESSAVG: 3808800 -69.5883 0.324636 58.1191 -2.76282 -22.2541 -19.7173 58.429 -21.5806 62.529 TIMING: 3808800 CPU: 11327.9, 0.0029608/step Wall: 11327.9, 0.0029608/step, 0.979696 hours remaining, 206.542969 MB of memory in use. ENERGY: 3808800 779.4920 2097.1131 1885.7528 117.1838 -205651.7825 17625.3718 0.0000 0.0000 34410.9095 -148735.9596 300.5190 -183146.8691 -148640.2597 300.9552 -164.4854 -130.0687 558185.9582 -9.9085 -9.7711 PRESSURE: 3809000 -146.777 -115.901 -55.4265 -115.902 89.1863 -136.485 -55.4258 -136.484 12.2307 GPRESSURE: 3809000 -135.117 -93.1608 -54.5683 -120.051 61.5244 -80.881 -66.2017 -173.381 130.976 PRESSAVG: 3809000 30.8952 41.1579 18.2767 41.158 8.65302 -55.4358 18.2767 -55.4359 10.1974 GPRESSAVG: 3809000 31.0859 39.9794 18.9637 43.335 7.881 -54.2513 18.7192 -55.1477 11.0155 TIMING: 3809000 CPU: 11328.5, 0.0029308/step Wall: 11328.5, 0.00293081/step, 0.969608 hours remaining, 206.542969 MB of memory in use. ENERGY: 3809000 746.6226 2095.9829 1919.3987 98.8415 -206022.3460 17897.1016 0.0000 0.0000 34515.9194 -148748.4793 301.4361 -183264.3987 -148651.3454 300.5315 -15.1199 19.1278 558064.6943 16.5819 16.6608 PRESSURE: 3809200 249.363 79.349 -15.7584 79.3485 24.3684 -38.6534 -15.7581 -38.6551 178.361 GPRESSURE: 3809200 187.665 115.795 -11.6296 87.7178 131.245 19.4998 -35.5448 -53.9234 214.18 PRESSAVG: 3809200 -10.6969 9.82346 -11.7214 9.82347 7.79095 8.51188 -11.7214 8.51182 48.1812 GPRESSAVG: 3809200 -10.6006 10.4688 -11.1151 7.30784 8.8301 7.62072 -13.2615 9.00113 46.9696 TIMING: 3809200 CPU: 11329.1, 0.00292558/step Wall: 11329.1, 0.00292558/step, 0.967716 hours remaining, 206.542969 MB of memory in use. ENERGY: 3809200 735.8656 2123.4809 1925.3575 107.3493 -206240.8746 18003.9203 0.0000 0.0000 34428.1958 -148916.7052 300.6700 -183344.9010 -148825.1490 300.3351 150.6974 177.6963 558562.6139 15.0917 15.0664 PRESSURE: 3809400 -110.587 -15.3151 -44.1563 -15.3162 -23.1121 91.0811 -44.1572 91.078 -216.625 GPRESSURE: 3809400 -154.044 20.5401 -70.7935 32.8803 40.751 103.188 -2.89698 -0.75767 -145.69 PRESSAVG: 3809400 -67.2167 -21.3607 2.22952 -21.3607 27.6521 -6.91221 2.2296 -6.91228 -2.33505 GPRESSAVG: 3809400 -66.6886 -22.2948 -0.75039 -19.1334 26.0823 -5.33512 4.97243 -8.79951 -1.39789 TIMING: 3809400 CPU: 11329.7, 0.00294231/step Wall: 11329.7, 0.00294231/step, 0.973087 hours remaining, 206.542969 MB of memory in use. ENERGY: 3809400 772.4928 2044.1146 1888.6926 115.2978 -205853.4379 17659.8340 0.0000 0.0000 34293.5666 -149079.4396 299.4942 -183373.0061 -148979.6206 299.6192 -116.7749 -86.3274 559883.4512 -13.9665 -14.0014 PRESSURE: 3809600 -117.156 168.221 -0.539877 168.221 -128.452 151.277 -0.53901 151.278 -28.3384 GPRESSURE: 3809600 -149.988 159.045 -120.743 160.474 -68.5503 105.477 46.4037 147.23 51.394 PRESSAVG: 3809600 -6.18714 -8.82389 -17.1877 -8.82395 17.3346 -17.9306 -17.1877 -17.9305 -8.60865 GPRESSAVG: 3809600 -6.5709 -10.5486 -16.5745 -11.2285 17.227 -18.9204 -16.9616 -16.4551 -8.03895 TIMING: 3809600 CPU: 11330.2, 0.00295424/step Wall: 11330.2, 0.00295424/step, 0.976868 hours remaining, 206.542969 MB of memory in use. ENERGY: 3809600 763.4511 2048.6877 1905.9291 107.2989 -205853.4381 17744.5343 0.0000 0.0000 34276.7818 -149006.7551 299.3477 -183283.5369 -148907.4372 299.8549 -91.3154 -55.7147 558764.0625 0.8463 0.8724 PRESSURE: 3809800 -281.198 -67.606 11.8347 -67.6045 -286.611 -144.344 11.8339 -144.343 -293.438 GPRESSURE: 3809800 -251.403 -35.6891 40.2206 -115.575 -240.482 -85.3399 24.8507 -134.676 -266.434 PRESSAVG: 3809800 -93.6011 11.8712 33.2679 11.8712 12.7522 -4.21087 33.2679 -4.21081 38.6659 GPRESSAVG: 3809800 -93.6618 14.9273 34.7623 13.846 15.027 -6.73351 31.1303 -1.98103 37.0917 TIMING: 3809800 CPU: 11330.8, 0.00294225/step Wall: 11330.8, 0.00294225/step, 0.972739 hours remaining, 206.542969 MB of memory in use. ENERGY: 3809800 800.6687 2094.6671 1936.2886 117.5614 -205603.9130 17260.1613 0.0000 0.0000 34335.5197 -149059.0462 299.8606 -183394.5658 -148955.2719 300.1857 -287.0825 -252.7728 559533.0747 -14.0610 -13.8477 PRESSURE: 3810000 -147.101 -38.6348 83.3157 -38.6347 -182.957 24.5414 83.316 24.5408 -170.853 GPRESSURE: 3810000 -190.687 -150.975 85.2207 -27.613 -74.6566 -1.25608 3.41732 23.1748 -138.747 PRESSAVG: 3810000 -1.56816 26.3773 65.4465 26.3772 20.6897 -5.10282 65.4466 -5.10272 1.24072 GPRESSAVG: 3810000 -2.39701 25.1464 64.9174 27.024 20.3166 -3.74821 66.1721 -6.42124 1.65157 TIMING: 3810000 CPU: 11331.4, 0.00294631/step Wall: 11331.4, 0.00294631/step, 0.973918 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3810000 725.4857 2092.3278 1935.5122 120.7564 -205523.2123 17465.6896 0.0000 0.0000 34014.2838 -149169.1568 297.0552 -183183.4406 -149079.3221 299.6292 -166.9703 -134.6970 559239.2908 6.7874 6.5237 PRESSURE: 3810200 -62.5408 1.82445 43.0002 1.82356 12.6486 -35.5938 43.0002 -35.5949 -210.389 GPRESSURE: 3810200 -52.3884 -23.5083 -17.1048 -37.323 73.5405 -25.7453 123.395 -50.6679 -185.227 PRESSAVG: 3810200 -68.8535 -32.8079 -2.5184 -32.8079 85.547 -1.55291 -2.51837 -1.55302 -25.0549 GPRESSAVG: 3810200 -68.6222 -32.7434 -2.47855 -36.7611 85.4078 -2.39588 -3.09842 -0.540285 -25.0689 TIMING: 3810200 CPU: 11332, 0.00294037/step Wall: 11332, 0.00294037/step, 0.971792 hours remaining, 206.542969 MB of memory in use. ENERGY: 3810200 768.7463 2155.6750 1900.0637 112.7895 -205783.7870 17645.8718 0.0000 0.0000 34333.1641 -148867.4766 299.8401 -183200.6407 -148767.0853 299.6785 -86.7603 -54.6916 558006.6691 -2.7871 -2.7611 PRESSURE: 3810400 -73.6781 34.6144 -98.5822 34.6136 31.1361 -26.1614 -98.581 -26.1608 14.7647 GPRESSURE: 3810400 -81.6058 -38.1213 -67.4936 70.24 78.4758 -100.856 -96.3286 23.4577 71.475 PRESSAVG: 3810400 -73.0431 40.5306 37.3207 40.5306 72.731 -45.4357 37.3207 -45.4358 -15.4447 GPRESSAVG: 3810400 -72.709 38.3179 36.4619 43.9051 72.1155 -42.3725 36.4768 -47.817 -15.2712 TIMING: 3810400 CPU: 11332.6, 0.00296354/step Wall: 11332.6, 0.00296354/step, 0.979285 hours remaining, 206.542969 MB of memory in use. ENERGY: 3810400 732.7476 2104.8704 1895.5258 107.4680 -205879.0815 17595.3280 0.0000 0.0000 34568.2589 -148874.8829 301.8932 -183443.1418 -148780.9108 300.2653 -9.2591 22.7817 556919.8518 -5.2523 -5.2882 PRESSURE: 3810600 -219.202 13.489 -81.6066 13.4895 -11.645 54.5054 -81.6075 54.5054 67.7994 GPRESSURE: 3810600 -185.281 -29.5603 2.91483 13.7061 -4.22248 42.4184 -89.8168 35.5676 128.363 PRESSAVG: 3810600 -107.607 48.0906 -27.3732 48.0906 73.5375 -0.0964527 -27.3732 -0.0964812 11.658 GPRESSAVG: 3810600 -105.645 50.0841 -26.7521 46.0771 73.5841 -4.18442 -25.3083 3.30043 9.69806 TIMING: 3810600 CPU: 11333.2, 0.00295252/step Wall: 11333.2, 0.00295252/step, 0.975481 hours remaining, 206.542969 MB of memory in use. ENERGY: 3810600 722.7506 2054.9109 1926.3664 121.3954 -205798.8806 17669.4539 0.0000 0.0000 34413.5624 -148890.4411 300.5422 -183304.0035 -148793.9359 300.2101 -54.3491 -20.3799 556727.1366 -7.4705 -7.4542 PRESSURE: 3810800 -211.615 77.8488 25.407 77.8487 60.9079 -142.527 25.4066 -142.525 -85.6217 GPRESSURE: 3810800 -177.219 119.334 33.2373 93.6524 93.1639 -72.0927 23.2436 -172.118 -57.1055 PRESSAVG: 3810800 10.5159 55.3123 50.5613 55.3123 16.0578 8.13904 50.5614 8.13907 3.91394 GPRESSAVG: 3810800 9.15511 56.1091 51.1182 53.6224 16.5646 12.4241 48.9588 4.6032 4.96138 TIMING: 3810800 CPU: 11333.8, 0.00296244/step Wall: 11333.8, 0.00296244/step, 0.978594 hours remaining, 206.542969 MB of memory in use. ENERGY: 3810800 729.4786 2113.3582 1912.7844 115.8881 -205775.4348 17602.5430 0.0000 0.0000 34574.8591 -148726.5234 301.9508 -183301.3825 -148629.1861 300.8287 -78.7764 -47.0534 557363.8238 10.1626 10.2270 PRESSURE: 3811000 122.323 157.05 65.0556 157.05 -105.745 65.2255 65.0566 65.2253 73.7662 GPRESSURE: 3811000 142.819 130.186 119.562 124.026 -49.2519 67.7456 120.008 50.8163 100.919 PRESSAVG: 3811000 -29.8761 -10.6402 22.42 -10.6403 -33.0651 -20.5974 22.4201 -20.5973 -0.0248988 GPRESSAVG: 3811000 -30.3412 -11.3796 23.4473 -8.89941 -31.9256 -22.3624 22.1266 -19.1102 -0.306268 TIMING: 3811000 CPU: 11334.4, 0.00295893/step Wall: 11334.4, 0.00295893/step, 0.977268 hours remaining, 206.542969 MB of memory in use. ENERGY: 3811000 724.0427 2051.6558 1938.0615 109.7209 -205673.4620 17798.4882 0.0000 0.0000 34328.1711 -148723.3218 299.7965 -183051.4929 -148627.0799 300.7271 30.1149 64.8287 557969.9460 -20.9887 -20.8577 PRESSURE: 3811200 434.741 49.6528 118.035 49.6531 -245.328 32.752 118.035 32.752 -74.8121 GPRESSURE: 3811200 439.356 41.5645 54.7753 32.4884 -172.737 26.8701 74.7881 70.2763 -48.7117 PRESSAVG: 3811200 46.9478 3.47883 89.9599 3.47886 -45.8354 25.6494 89.9599 25.6496 -16.6757 GPRESSAVG: 3811200 47.5341 3.10631 87.3688 3.42123 -47.3174 25.3639 91.227 26.0475 -16.1244 TIMING: 3811200 CPU: 11335, 0.00295283/step Wall: 11335, 0.00295283/step, 0.975089 hours remaining, 206.542969 MB of memory in use. ENERGY: 3811200 708.7184 2106.2614 1930.6844 116.8932 -205819.9588 17735.8036 0.0000 0.0000 34377.9337 -148843.6642 300.2310 -183221.5979 -148753.6305 300.4232 38.2001 72.6359 558394.1934 -5.1878 -5.3026 PRESSURE: 3811400 -69.7172 133.799 -103.721 133.799 -370.989 6.04762 -103.722 6.04689 -4.32999 GPRESSURE: 3811400 -55.9453 60.2444 -27.647 98.8649 -326.17 -7.53669 -185.373 -7.44584 43.6751 PRESSAVG: 3811400 63.052 27.1008 33.5733 27.1008 11.6591 -29.658 33.5733 -29.658 -43.6037 GPRESSAVG: 3811400 62.7275 27.8769 33.8408 27.1889 11.4844 -29.2861 33.1814 -28.9548 -43.4444 TIMING: 3811400 CPU: 11335.6, 0.00293141/step Wall: 11335.6, 0.00293141/step, 0.967853 hours remaining, 206.542969 MB of memory in use. ENERGY: 3811400 767.0749 2074.0014 1929.7605 108.4269 -205574.6002 17441.1930 0.0000 0.0000 34476.1518 -148777.9917 301.0888 -183254.1435 -148677.5021 300.1013 -148.3455 -112.8133 558117.2915 10.3691 10.2558 PRESSURE: 3811600 -334.506 -76.1787 -10.9134 -76.1781 148.629 -72.768 -10.9149 -72.7669 -147.956 GPRESSURE: 3811600 -300.913 -78.9246 -51.4655 -111.484 173.159 -176.819 -22.9515 -10.3248 -109.932 PRESSAVG: 3811600 10.1566 52.3863 29.0588 52.3862 40.5869 3.6973 29.0588 3.69734 -58.2594 GPRESSAVG: 3811600 10.5571 53.4833 27.4434 51.8991 40.9739 5.06504 30.7864 3.55142 -58.5502 TIMING: 3811600 CPU: 11336.1, 0.00292828/step Wall: 11336.1, 0.00292828/step, 0.966659 hours remaining, 206.542969 MB of memory in use. ENERGY: 3811600 716.3237 2125.1034 1948.0117 114.2977 -205851.1414 17721.7364 0.0000 0.0000 34226.9170 -148998.7516 298.9122 -183225.6686 -148907.1862 299.7679 -111.2778 -79.2287 557906.6149 -2.5053 -2.3397 PRESSURE: 3811800 -86.9095 -65.0269 -7.25841 -65.0265 11.4065 -14.2459 -7.25877 -14.2475 120.226 GPRESSURE: 3811800 -92.8369 -95.8701 44.1979 -39.7274 46.8001 45.5647 -14.8306 4.91409 181.169 PRESSAVG: 3811800 -12.7911 -82.8131 -11.7722 -82.813 -18.6737 10.9943 -11.7722 10.9942 27.9322 GPRESSAVG: 3811800 -13.7385 -83.3464 -8.72868 -82.7546 -18.0038 8.35528 -13.2338 11.8853 28.5772 TIMING: 3811800 CPU: 11336.7, 0.00293952/step Wall: 11336.7, 0.00293952/step, 0.970205 hours remaining, 206.542969 MB of memory in use. ENERGY: 3811800 747.9543 2102.1225 1941.1748 116.0385 -205855.1096 17726.8759 0.0000 0.0000 34345.4172 -148875.5265 299.9471 -183220.9437 -148774.9175 299.9804 14.9076 45.0439 558444.1815 -1.1775 -1.0550 PRESSURE: 3812000 -95.5148 -5.10701 -168.331 -5.10642 -3.89988 112.593 -168.331 112.593 -141.906 GPRESSURE: 3812000 -109.232 3.67356 -186.148 -9.39575 4.9095 -1.42451 -115.202 101.274 -54.9667 PRESSAVG: 3812000 -47.3849 14.1775 14.8028 14.1776 -7.08163 -14.1059 14.8027 -14.1059 -6.08372 GPRESSAVG: 3812000 -46.3262 13.5202 11.9436 13.0372 -8.15154 -13.3502 15.1788 -14.846 -6.08356 TIMING: 3812000 CPU: 11337.3, 0.00294475/step Wall: 11337.3, 0.00294475/step, 0.971767 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3812000 725.6873 2047.8456 1946.0000 108.2030 -205998.0271 17649.1369 0.0000 0.0000 34522.3249 -148998.8293 301.4920 -183521.1542 -148907.4387 300.0923 -80.4401 -53.0963 558506.1917 -20.1834 -20.1871 PRESSURE: 3812200 320.711 79.0237 82.6438 79.0241 313.146 -49.1183 82.6447 -49.1188 138.782 GPRESSURE: 3812200 299.917 -7.97899 66.9297 172.634 334.201 -39.1695 45.7915 -59.8321 241.408 PRESSAVG: 3812200 26.3357 26.2792 26.6167 26.2792 24.415 -12.8986 26.6167 -12.8985 -24.7565 GPRESSAVG: 3812200 25.3393 24.8351 26.8171 27.3708 25.2235 -12.1549 25.8 -14.0062 -24.3028 TIMING: 3812200 CPU: 11337.9, 0.00293163/step Wall: 11337.9, 0.00293163/step, 0.967275 hours remaining, 206.542969 MB of memory in use. ENERGY: 3812200 721.3497 2117.3647 1921.5062 109.2855 -206338.0018 18078.2053 0.0000 0.0000 34301.1902 -149089.1003 299.5608 -183390.2904 -148993.5141 299.5952 257.5464 291.8422 556377.2952 8.6647 8.7533 LDB: ============= START OF LOAD BALANCING ============== 11341.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11341.4 LDB: =============== DONE WITH MIGRATION ================ 11341.4 LDB: ============= START OF LOAD BALANCING ============== 11341.7 LDB: Largest compute 4802 load 0.024453 is 20.7% of average load 0.118279 LDB: Average compute 0.001724 is 1.5% of average load 0.118279 LDB: TIME 11341.7 LOAD: AVG 0.118279 MAX 0.196145 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.055 MB LDB: TIME 11341.7 LOAD: AVG 0.118279 MAX 0.196145 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.055 MB LDB: TIME 11341.7 LOAD: AVG 0.118279 MAX 0.196145 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11341.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11341.8 PRESSURE: 3812400 367.938 -68.7612 53.5231 -68.762 312.673 60.9061 53.5229 60.9062 504.154 GPRESSURE: 3812400 344.964 3.90203 105.975 -57.6532 364.391 74.9419 16.793 79.899 563.745 PRESSAVG: 3812400 8.82433 71.5328 45.1355 71.5328 -13.0543 -5.1868 45.1355 -5.18687 8.64001 GPRESSAVG: 3812400 8.12663 72.409 45.7905 72.9195 -13.0985 -4.95808 44.9 -4.7743 9.04439 TIMING: 3812400 CPU: 11338.5, 0.00298577/step Wall: 11338.5, 0.00298577/step, 0.984972 hours remaining, 207.316406 MB of memory in use. ENERGY: 3812400 722.0296 2069.2735 1923.7470 107.8815 -206513.2161 18378.5809 0.0000 0.0000 34192.6288 -149119.0748 298.6127 -183311.7036 -149017.6259 300.1077 394.9217 424.3662 558055.3948 1.4700 1.3575 PRESSURE: 3812600 -33.6817 -42.4175 10.4332 -42.4174 -215.524 14.7958 10.4335 14.7964 166.608 GPRESSURE: 3812600 32.1514 -27.6387 69.7366 -34.2538 -148.588 88.2014 16.7324 -34.1933 143.475 PRESSAVG: 3812600 11.2322 -19.7215 11.0244 -19.7214 2.91848 -3.87864 11.0243 -3.87863 -9.22272 GPRESSAVG: 3812600 12.1476 -19.9785 12.2022 -20.7564 3.61424 -4.13 12.8487 -3.24968 -10.5495 TIMING: 3812600 CPU: 11339.1, 0.00293514/step Wall: 11339.1, 0.00293514/step, 0.968108 hours remaining, 207.316406 MB of memory in use. ENERGY: 3812600 735.8950 2101.3525 1907.5613 121.3406 -206191.3071 17773.1118 0.0000 0.0000 34358.7064 -149193.3394 300.0631 -183552.0458 -149093.9355 299.7988 -27.5324 9.0128 557956.5180 1.6426 1.7375 PRESSURE: 3812800 -285.65 -199.815 33.5314 -199.814 -515.075 -51.6981 33.531 -51.6985 -105.094 GPRESSURE: 3812800 -243.532 -124.95 -1.66412 -201.15 -444.819 -109.988 55.5676 -29.5494 -115.683 PRESSAVG: 3812800 64.5772 41.7113 26.4683 41.7113 -92.4578 -14.0766 26.4682 -14.0765 37.6371 GPRESSAVG: 3812800 64.3326 41.3803 24.2518 40.4383 -91.7971 -14.8914 25.7047 -13.2459 37.3174 TIMING: 3812800 CPU: 11339.7, 0.00292863/step Wall: 11339.7, 0.00292863/step, 0.965796 hours remaining, 207.316406 MB of memory in use. ENERGY: 3812800 769.5282 2085.4529 1935.7044 105.3514 -205596.3651 17331.6382 0.0000 0.0000 34126.4338 -149242.2562 298.0346 -183368.6900 -149149.2108 298.9984 -301.9396 -268.0114 558134.5644 3.2522 3.2843 PRESSURE: 3813000 -88.1938 21.0912 48.7398 21.0917 -202.725 -70.6457 48.7401 -70.6436 18.322 GPRESSURE: 3813000 -110.106 102.589 57.6891 -30.604 -100.707 -72.6362 68.2593 -33.5721 31.9592 PRESSAVG: 3813000 -28.8028 1.20489 23.1665 1.20501 1.49499 -9.34819 23.1665 -9.34811 4.45501 GPRESSAVG: 3813000 -26.4462 1.54154 25.662 0.52071 -1.27694 -7.20698 22.3274 -9.73198 5.04737 TIMING: 3813000 CPU: 11340.3, 0.00293718/step Wall: 11340.3, 0.00293718/step, 0.968453 hours remaining, 207.316406 MB of memory in use. ENERGY: 3813000 742.0577 2095.3537 1925.9612 120.2064 -206162.4071 17945.6382 0.0000 0.0000 34223.4246 -149109.7653 298.8817 -183333.1899 -149015.6921 299.0754 -90.8655 -59.6181 559721.4742 -7.6176 -7.5586 PRESSURE: 3813200 -174.162 -65.4247 -67.3119 -65.4244 -307.615 -6.6463 -67.3122 -6.64631 -144.67 GPRESSURE: 3813200 -153.819 -23.6393 -79.4204 -117.025 -239.093 -63.6105 -98.8451 24.5173 -127.912 PRESSAVG: 3813200 21.5532 41.9751 -2.35792 41.9751 -61.8485 4.40536 -2.35792 4.40539 3.43525 GPRESSAVG: 3813200 20.6734 41.6047 -3.15134 42.1164 -60.4175 2.3345 -2.71489 4.32881 3.16011 TIMING: 3813200 CPU: 11340.9, 0.0029593/step Wall: 11340.9, 0.0029593/step, 0.975582 hours remaining, 207.316406 MB of memory in use. ENERGY: 3813200 732.1472 2081.4881 1944.1641 133.5049 -205835.5137 17503.0408 0.0000 0.0000 34396.8649 -149044.3037 300.3964 -183441.1686 -148944.1118 299.7635 -208.8157 -173.6078 560031.5861 -12.2867 -12.1947 PRESSURE: 3813400 -171.028 -63.0111 73.2812 -63.011 326.583 -38.9955 73.2807 -38.9922 174.981 GPRESSURE: 3813400 -93.0385 36.6955 7.90481 -81.5094 359.371 -38.4301 96.2476 -28.2671 161.731 PRESSAVG: 3813400 36.8921 -41.0428 -7.25382 -41.0429 -0.769438 7.50062 -7.25376 7.5005 -1.50354 GPRESSAVG: 3813400 36.7536 -39.6144 -6.01929 -38.5999 -1.88695 8.19392 -7.71749 6.43321 -0.344251 TIMING: 3813400 CPU: 11341.4, 0.00295527/step Wall: 11341.4, 0.00295527/step, 0.974091 hours remaining, 207.316406 MB of memory in use. ENERGY: 3813400 766.1300 2095.6381 1926.3900 116.0369 -206465.8133 18076.1277 0.0000 0.0000 34398.8331 -149086.6575 300.4136 -183485.4906 -148994.9309 299.6447 110.1789 142.6878 556964.1544 11.5397 11.5075 PRESSURE: 3813600 -16.4065 266.791 -114.51 266.789 -131.045 -80.8246 -114.512 -80.8233 137.755 GPRESSURE: 3813600 -74.75 218.147 -172.704 213.31 -40.3372 -118.287 -76.7356 -47.996 202.285 PRESSAVG: 3813600 13.381 15.731 -1.64623 15.7311 -12.8684 -30.5516 -1.64628 -30.5517 29.7367 GPRESSAVG: 3813600 11.7006 15.5839 -2.62539 11.5456 -10.8504 -30.8231 -0.832187 -29.2706 29.5465 TIMING: 3813600 CPU: 11342, 0.00295283/step Wall: 11342, 0.00295283/step, 0.97312 hours remaining, 207.316406 MB of memory in use. ENERGY: 3813600 785.9816 2050.1920 1952.4525 100.7939 -206265.9754 17950.2115 0.0000 0.0000 34512.3425 -148914.0013 301.4049 -183426.3439 -148822.4655 300.2773 -3.2323 29.0661 556407.5641 10.0831 10.1322 PRESSURE: 3813800 -255.028 -87.3988 118.844 -87.3998 -186.884 57.0575 118.843 57.0575 -227.093 GPRESSURE: 3813800 -206.23 -61.1637 209.274 -64.0119 -164.579 -29.8135 59.5951 66.2497 -182.745 PRESSAVG: 3813800 -54.9073 -15.5771 89.8388 -15.577 36.0598 -12.6923 89.8388 -12.6923 -14.0161 GPRESSAVG: 3813800 -53.6671 -15.8044 90.4 -12.6301 35.2547 -10.3927 89.5415 -14.4185 -14.9011 TIMING: 3813800 CPU: 11342.6, 0.00295866/step Wall: 11342.6, 0.00295866/step, 0.974879 hours remaining, 207.316406 MB of memory in use. ENERGY: 3813800 742.6281 2050.9301 1949.6693 115.9677 -205524.9550 17357.5278 0.0000 0.0000 34284.1251 -149024.1069 299.4118 -183308.2320 -148928.5704 300.5495 -223.0015 -184.5182 557850.8485 -10.9545 -11.1045 PRESSURE: 3814000 -223.13 -98.0118 -54.4839 -98.0112 -19.9798 -79.8541 -54.4833 -79.8542 -144.276 GPRESSURE: 3814000 -194.015 -121.642 -154.123 -124.212 -14.3582 78.4014 1.43464 -176.42 -84.1618 PRESSAVG: 3814000 30.7231 -7.19476 -16.2943 -7.19482 14.9207 -38.7332 -16.2942 -38.7331 -64.8678 GPRESSAVG: 3814000 31.2746 -8.30653 -16.6273 -5.94367 15.058 -42.1588 -16.3931 -38.6688 -64.8254 TIMING: 3814000 CPU: 11343.2, 0.0029131/step Wall: 11343.2, 0.0029131/step, 0.959705 hours remaining, 207.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3814000 738.1506 2111.2839 1945.3701 110.3977 -206044.6037 17639.0060 0.0000 0.0000 34489.1240 -149011.2713 301.2021 -183500.3953 -148915.4255 300.0164 -129.1288 -97.5116 557654.2459 -6.4080 -6.1643 PRESSURE: 3814200 -140.206 -17.3678 194.989 -17.3671 -19.7065 73.1234 194.989 73.1216 -91.625 GPRESSURE: 3814200 -161.331 -41.7295 155.835 8.87326 65.6868 50.7254 236.94 90.4032 -56.0688 PRESSAVG: 3814200 -38.6474 -34.6321 45.934 -34.6321 52.9108 21.1067 45.934 21.1066 17.0354 GPRESSAVG: 3814200 -38.358 -36.9371 45.368 -34.0027 52.3191 24.0545 46.5658 20.5612 16.9652 TIMING: 3814200 CPU: 11343.8, 0.00292471/step Wall: 11343.8, 0.00292471/step, 0.963366 hours remaining, 207.316406 MB of memory in use. ENERGY: 3814200 746.4581 2078.0271 1954.2310 117.6712 -205943.7665 17755.5433 0.0000 0.0000 34494.3420 -148797.4937 301.2477 -183291.8357 -148702.4160 300.5508 -83.8459 -50.5708 557427.4791 10.4329 10.3087 PRESSURE: 3814400 -137.652 84.1299 151.471 84.1295 184.548 148.91 151.47 148.911 250.757 GPRESSURE: 3814400 -122.653 125.682 169.355 133.614 197.731 98.8356 151.932 149.588 307.712 PRESSAVG: 3814400 -77.055 -0.500921 50.3052 -0.500843 -3.10328 41.5367 50.3051 41.5367 81.0355 GPRESSAVG: 3814400 -77.9491 2.85211 52.1399 -2.43471 -2.51417 39.5192 48.3508 41.9415 81.0981 TIMING: 3814400 CPU: 11344.4, 0.00296291/step Wall: 11344.4, 0.00296291/step, 0.975783 hours remaining, 207.316406 MB of memory in use. ENERGY: 3814400 779.3089 2085.7165 1949.8781 137.0349 -206053.7425 17786.1288 0.0000 0.0000 34328.8075 -148986.8677 299.8020 -183315.6752 -148894.8592 300.3435 99.2174 127.5966 555656.1171 0.2924 0.2116 PRESSURE: 3814600 59.6458 -128.699 -55.2023 -128.698 193.283 22.4045 -55.2034 22.4037 275.521 GPRESSURE: 3814600 49.9428 -26.9445 -166.024 -204.486 228.824 93.7659 114.815 -17.8476 361.531 PRESSAVG: 3814600 9.81059 21.393 -17.3694 21.3931 -20.0822 -27.9637 -17.3695 -27.9636 9.40861 GPRESSAVG: 3814600 9.76343 19.2492 -21.2543 23.0654 -19.5674 -28.4534 -14.7622 -28.9406 9.32374 TIMING: 3814600 CPU: 11345, 0.00293712/step Wall: 11345, 0.00293712/step, 0.967127 hours remaining, 207.316406 MB of memory in use. ENERGY: 3814600 739.7898 2103.5096 1946.5612 104.5860 -205968.5565 17935.5156 0.0000 0.0000 34117.4394 -149021.1549 297.9561 -183138.5943 -148928.1706 300.3583 176.1501 213.4326 556643.7518 -0.2877 -0.1601 PRESSURE: 3814800 -311.11 175.088 90.9054 175.089 -360.752 -4.95879 90.9058 -4.96049 -84.7525 GPRESSURE: 3814800 -242.7 164.014 67.6097 97.756 -342.844 10.624 57.7894 2.91454 -74.1019 PRESSAVG: 3814800 -25.6738 7.95329 62.5916 7.95327 23.5675 18.9556 62.5917 18.9556 25.6551 GPRESSAVG: 3814800 -25.0799 8.05938 64.0825 5.67869 22.3703 19.2919 62.8036 20.9594 25.5065 TIMING: 3814800 CPU: 11345.6, 0.00294729/step Wall: 11345.6, 0.00294729/step, 0.970313 hours remaining, 207.316406 MB of memory in use. ENERGY: 3814800 787.4532 2091.1186 1918.5691 122.5001 -205898.0107 17537.0666 0.0000 0.0000 34482.0424 -148959.2606 301.1403 -183441.3030 -148863.2759 300.0977 -252.2050 -219.8821 557650.8259 7.8496 7.5989 PRESSURE: 3815000 80.8291 -20.8367 117.383 -20.8366 -6.2327 67.5525 117.384 67.5517 291.549 GPRESSURE: 3815000 86.2136 -26.6168 149.482 40.8482 74.1297 87.1915 51.1967 67.7059 280.81 PRESSAVG: 3815000 -32.8887 -47.4869 -0.513255 -47.4868 -23.8211 -21.0437 -0.513223 -21.0437 39.9652 GPRESSAVG: 3815000 -33.4359 -47.0463 0.0826116 -45.6786 -22.9018 -19.6634 -1.55786 -22.292 39.9041 TIMING: 3815000 CPU: 11346.2, 0.00296028/step Wall: 11346.2, 0.00296028/step, 0.974426 hours remaining, 207.316406 MB of memory in use. ENERGY: 3815000 726.2618 2077.9081 1977.1709 116.8314 -206161.0753 17894.4099 0.0000 0.0000 34134.5754 -149233.9178 298.1057 -183368.4932 -149132.3028 299.6921 122.0483 147.0511 556394.9986 -5.5815 -5.4779 PRESSURE: 3815200 -214.247 39.9031 73.688 39.9029 122.687 -19.805 73.6889 -19.8041 -177.803 GPRESSURE: 3815200 -171.119 66.7225 50.5254 43.2047 161.69 -57.0011 -17.0936 -43.2819 -171.485 PRESSAVG: 3815200 -22.6469 -9.79682 15.7792 -9.79673 -13.7309 -44.3598 15.7793 -44.3598 46.3229 GPRESSAVG: 3815200 -22.0374 -8.65591 15.5295 -10.3226 -13.3332 -45.1372 16.6374 -46.2082 46.0649 TIMING: 3815200 CPU: 11346.7, 0.00295908/step Wall: 11346.7, 0.00295908/step, 0.973865 hours remaining, 207.316406 MB of memory in use. ENERGY: 3815200 749.4968 2103.5939 1931.6743 101.8655 -205901.9494 17656.9405 0.0000 0.0000 34371.2066 -148987.1718 300.1723 -183358.3784 -148897.3413 299.8647 -89.7875 -60.3045 558293.9435 3.3150 3.5648 PRESSURE: 3815400 -279.359 6.30181 38.8935 6.30124 -165.866 -55.5299 38.8922 -55.5309 -135.105 GPRESSURE: 3815400 -308.755 -66.9596 159.97 46.9135 -92.5865 -32.0062 -11.6796 -2.93875 -81.9436 PRESSAVG: 3815400 -81.7014 -7.72515 -12.5543 -7.72514 83.6834 9.3168 -12.5544 9.31679 -2.35992 GPRESSAVG: 3815400 -82.7351 -6.83864 -11.7249 -6.70726 83.7042 7.71471 -15.1122 10.753 -1.80352 TIMING: 3815400 CPU: 11347.3, 0.00297595/step Wall: 11347.3, 0.00297595/step, 0.979253 hours remaining, 207.316406 MB of memory in use. ENERGY: 3815400 728.5979 2116.0869 1952.0324 96.9940 -205480.8184 17419.9623 0.0000 0.0000 34238.7048 -148928.4401 299.0151 -183167.1449 -148836.3327 299.6361 -193.4431 -161.0950 558148.1683 -0.1260 -0.2781 PRESSURE: 3815600 -84.9739 -177.51 90.9263 -177.51 -333.23 11.6527 90.9271 11.6523 -325.862 GPRESSURE: 3815600 -23.5293 -147.794 36.3923 -234.969 -333.908 16.7264 146.769 58.9261 -294.074 PRESSAVG: 3815600 -82.0561 0.291272 18.3531 0.29131 0.845677 16.6635 18.353 16.6634 35.3159 GPRESSAVG: 3815600 -81.1482 -0.804731 16.9027 -1.17763 0.771759 18.1667 22.6649 17.3053 34.2861 TIMING: 3815600 CPU: 11347.9, 0.00296336/step Wall: 11347.9, 0.00296336/step, 0.974947 hours remaining, 207.316406 MB of memory in use. ENERGY: 3815600 763.8407 2156.5259 1898.7672 104.0062 -205858.9064 17654.4906 0.0000 0.0000 34264.3747 -149016.9010 299.2393 -183281.2757 -148924.2474 299.6339 -248.0222 -217.1704 560551.5361 -15.2982 -15.3634 PRESSURE: 3815800 -276.381 101.94 48.1395 101.941 -153.508 36.294 48.1392 36.2937 -160.96 GPRESSURE: 3815800 -211.784 61.2685 14.7438 81.2735 -135.39 48.5567 88.3605 8.22721 -152.669 PRESSAVG: 3815800 -62.6038 -17.1305 -19.2415 -17.1304 -32.3012 -13.2178 -19.2415 -13.2178 63.8088 GPRESSAVG: 3815800 -62.8621 -17.1058 -17.5849 -16.954 -32.0087 -11.5849 -22.5677 -13.4123 63.7516 TIMING: 3815800 CPU: 11348.5, 0.00293107/step Wall: 11348.5, 0.00293107/step, 0.964158 hours remaining, 207.316406 MB of memory in use. ENERGY: 3815800 737.3011 2147.7937 1920.9115 109.2728 -205736.1632 17606.8456 0.0000 0.0000 34261.1500 -148952.8885 299.2111 -183214.0384 -148862.7674 299.4830 -196.9495 -166.6141 559079.9798 -10.3654 -10.3731 PRESSURE: 3816000 -103.154 -88.1318 -6.79781 -88.1328 -105.382 -14.8884 -6.79686 -14.8871 -2.31981 GPRESSURE: 3816000 -69.8505 -126.486 -65.5823 -80.9464 -48.952 -93.4753 14.8881 57.3014 15.3047 PRESSAVG: 3816000 5.68654 -23.8209 -8.5593 -23.8208 -11.5508 -50.0599 -8.55916 -50.0599 55.6696 GPRESSAVG: 3816000 4.99857 -22.6074 -9.61874 -25.4447 -12.0183 -51.3045 -6.30891 -51.1661 57.2991 TIMING: 3816000 CPU: 11349.1, 0.00294899/step Wall: 11349.1, 0.00294899/step, 0.969891 hours remaining, 207.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3816000 711.6665 2107.7355 1926.6643 116.6454 -206302.6102 17874.6455 0.0000 0.0000 34484.6013 -149080.6518 301.1626 -183565.2531 -148986.3995 300.0266 -70.2852 -34.4993 560070.4596 16.6018 16.7598 PRESSURE: 3816200 -265.06 -62.2745 117.263 -62.2741 -296.692 42.1214 117.262 42.1216 -111.958 GPRESSURE: 3816200 -201.489 6.97845 114.047 -121.967 -343.487 60.3555 122.139 48.2649 -36.6193 PRESSAVG: 3816200 -70.0921 18.4827 3.05147 18.4827 -88.68 -20.2643 3.05139 -20.2642 96.4768 GPRESSAVG: 3816200 -68.4787 18.3113 0.951247 18.9749 -89.3649 -19.5406 3.70931 -21.7202 95.0435 TIMING: 3816200 CPU: 11349.7, 0.00295921/step Wall: 11349.7, 0.00295921/step, 0.973088 hours remaining, 207.316406 MB of memory in use. ENERGY: 3816200 735.0238 2104.6387 1943.6779 114.4803 -205649.1234 17472.4120 0.0000 0.0000 34160.6983 -149118.1923 298.3339 -183278.8906 -149023.7696 299.7491 -224.5697 -193.8651 558801.0763 -20.7651 -20.9334 LDB: ============= START OF LOAD BALANCING ============== 11353.2 LDB: ============== END OF LOAD BALANCING =============== 11353.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11353.2 LDB: ============= START OF LOAD BALANCING ============== 11353.5 LDB: Largest compute 4796 load 0.026160 is 22.1% of average load 0.118236 LDB: Average compute 0.001732 is 1.5% of average load 0.118236 LDB: TIME 11353.5 LOAD: AVG 0.118236 MAX 0.19738 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.574 MB LDB: TIME 11353.5 LOAD: AVG 0.118236 MAX 0.19738 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.574 MB LDB: TIME 11353.5 LOAD: AVG 0.118236 MAX 0.19738 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.574 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11353.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11353.5 PRESSURE: 3816400 -203.065 119.611 32.0639 119.611 90.264 102.638 32.0642 102.637 -81.7606 GPRESSURE: 3816400 -183.891 74.1988 103.715 74.119 150.102 54.8228 7.61318 98.2812 -56.8334 PRESSAVG: 3816400 -34.1215 -22.0587 10.2359 -22.0586 -17.0655 58.2204 10.2359 58.2205 39.1979 GPRESSAVG: 3816400 -35.265 -23.3465 12.4495 -18.6668 -15.8487 57.6065 9.54774 60.3658 39.2988 TIMING: 3816400 CPU: 11350.3, 0.00297958/step Wall: 11350.3, 0.00297958/step, 0.979621 hours remaining, 207.253906 MB of memory in use. ENERGY: 3816400 755.1605 2106.3653 1944.4732 100.2117 -206707.6697 18102.2105 0.0000 0.0000 34414.7266 -149284.5217 300.5524 -183699.2484 -149191.4985 299.4596 -64.8539 -30.2075 558630.4902 -3.9964 -3.9383 PRESSURE: 3816600 -62.8516 -2.50843 -17.3584 -2.5083 396.532 37.611 -17.3589 37.6108 100.32 GPRESSURE: 3816600 -4.20011 -22.2236 -41.3036 40.6694 412.102 -31.6347 12.4009 88.5364 123.813 PRESSAVG: 3816600 -7.78972 15.4255 31.8456 15.4256 55.2306 21.7741 31.8456 21.7741 -44.134 GPRESSAVG: 3816600 -7.33619 16.5079 31.2335 11.9603 54.9114 19.964 30.2135 23.7674 -43.5713 TIMING: 3816600 CPU: 11350.9, 0.00294549/step Wall: 11350.9, 0.00294549/step, 0.968247 hours remaining, 207.457031 MB of memory in use. ENERGY: 3816600 755.0081 2123.6786 1921.3426 109.3659 -206219.0716 17993.6851 0.0000 0.0000 34279.2893 -149036.7022 299.3696 -183315.9914 -148944.5602 299.3413 144.6668 177.2384 557532.0436 1.1023 1.3347 PRESSURE: 3816800 -176.845 70.3018 50.449 70.3018 53.2645 84.3852 50.4496 84.3839 37.1622 GPRESSURE: 3816800 -117.409 122.85 -1.93061 90.6809 65.9926 52.3299 72.2071 36.538 70.0034 PRESSAVG: 3816800 9.18153 8.06147 -18.4428 8.06141 -35.8287 11.5584 -18.4428 11.5584 24.7727 GPRESSAVG: 3816800 9.9223 7.45807 -19.5982 9.81544 -35.4864 13.914 -17.7017 8.11725 24.4627 TIMING: 3816800 CPU: 11351.5, 0.00300723/step Wall: 11351.5, 0.00300723/step, 0.988376 hours remaining, 207.457031 MB of memory in use. ENERGY: 3816800 773.0919 2075.1582 1928.0000 126.7855 -205869.1364 17711.7184 0.0000 0.0000 34097.7374 -149156.6449 297.7840 -183254.3823 -149065.6814 299.4600 -28.8061 6.1956 556757.4397 -0.6248 -0.3671 PRESSURE: 3817000 -71.3413 97.5079 -46.1572 97.508 -255.12 231.306 -46.1571 231.306 -131.083 GPRESSURE: 3817000 -51.1505 72.3609 -80.125 -6.88498 -250.838 214.386 -26.2017 193.118 -80.1298 PRESSAVG: 3817000 46.5794 -60.9986 -39.3077 -60.9986 -30.5471 13.3752 -39.3077 13.3751 -14.31 GPRESSAVG: 3817000 46.4815 -60.6959 -38.9339 -60.3397 -32.0442 10.7978 -37.8935 15.6957 -12.4093 TIMING: 3817000 CPU: 11352.1, 0.00295005/step Wall: 11352.1, 0.00295005/step, 0.969419 hours remaining, 207.457031 MB of memory in use. ENERGY: 3817000 755.8261 2096.2810 1962.1707 110.9394 -206075.4563 17588.5048 0.0000 0.0000 34302.2257 -149259.5086 299.5699 -183561.7343 -149166.2041 298.7077 -152.5146 -127.3727 557199.3247 0.5741 0.6760 PRESSURE: 3817200 182.789 -5.26637 66.315 -5.26651 103.862 -152.793 66.3141 -152.795 428.706 GPRESSURE: 3817200 214.489 -71.1605 36.9985 -62.2899 137.714 -187.433 114.905 -140.743 458.661 PRESSAVG: 3817200 -0.983934 2.10109 -44.6383 2.10102 -15.3128 -33.8916 -44.6382 -33.8917 3.842 GPRESSAVG: 3817200 -0.0106988 -0.987304 -42.023 2.20865 -14.0765 -32.2852 -45.9731 -36.0216 1.78097 TIMING: 3817200 CPU: 11352.7, 0.00294439/step Wall: 11352.7, 0.00294439/step, 0.967395 hours remaining, 207.457031 MB of memory in use. ENERGY: 3817200 725.1429 2079.8769 1908.7593 111.1040 -206629.1115 18208.4531 0.0000 0.0000 34260.5202 -149335.2551 299.2056 -183595.7753 -149234.7290 298.9612 238.4522 270.2879 556786.5487 -4.1516 -4.1021 PRESSURE: 3817400 -45.7435 -162.066 125.456 -162.066 -122.754 -82.6302 125.458 -82.63 129.246 GPRESSURE: 3817400 -42.8754 -150.264 107.193 -154.856 -46.6916 -4.69897 99.6426 -147.644 141.763 PRESSAVG: 3817400 -68.586 -22.6736 73.1611 -22.6736 40.7162 -7.16716 73.1611 -7.16718 45.0179 GPRESSAVG: 3817400 -69.3285 -19.2876 71.9673 -24.0333 40.5398 -7.12286 71.388 -6.89692 45.7992 TIMING: 3817400 CPU: 11353.3, 0.00294365/step Wall: 11353.3, 0.00294365/step, 0.966987 hours remaining, 207.457031 MB of memory in use. ENERGY: 3817400 720.9240 2094.6681 1927.7334 116.4876 -206238.4006 17958.0250 0.0000 0.0000 34266.2409 -149154.3216 299.2556 -183420.5625 -149051.3291 299.3577 -13.0838 17.3987 558590.1325 5.7160 5.6702 PRESSURE: 3817600 161.389 39.7426 37.2945 39.7429 317.613 1.52587 37.294 1.52461 379.198 GPRESSURE: 3817600 196.137 13.3892 48.1964 49.0222 379.357 89.0025 50.7373 -57.6389 360.463 PRESSAVG: 3817600 19.2777 31.4636 49.924 31.4637 -56.181 18.3256 49.9239 18.3256 32.7953 GPRESSAVG: 3817600 19.6663 31.4041 50.8696 31.9171 -56.2184 17.007 50.7746 20.6192 31.8249 TIMING: 3817600 CPU: 11353.8, 0.00292912/step Wall: 11353.8, 0.00292912/step, 0.962053 hours remaining, 207.457031 MB of memory in use. ENERGY: 3817600 756.6346 2106.4701 1923.9218 126.9050 -206440.9281 18253.6360 0.0000 0.0000 34206.9954 -149066.3652 298.7382 -183273.3606 -148975.8772 299.9118 286.0666 311.9853 556559.8168 -1.3693 -1.5757 PRESSURE: 3817800 10.2719 -36.8063 -91.527 -36.8059 69.8289 -7.11313 -91.5266 -7.11369 -98.8695 GPRESSURE: 3817800 58.2384 -33.6084 -96.6368 36.3255 96.5669 -91.4612 -61.0605 -8.30895 -77.0727 PRESSAVG: 3817800 30.8798 21.0174 64.7106 21.0174 -20.9736 11.9106 64.7107 11.9107 -0.772721 GPRESSAVG: 3817800 29.4772 21.384 63.6881 20.573 -20.6858 11.5492 65.5214 10.9683 0.672489 TIMING: 3817800 CPU: 11354.4, 0.00293708/step Wall: 11354.4, 0.00293708/step, 0.964506 hours remaining, 207.457031 MB of memory in use. ENERGY: 3817800 766.4018 2063.5635 1926.1245 124.4173 -206171.7939 17926.2877 0.0000 0.0000 34459.4641 -148905.5350 300.9431 -183364.9991 -148807.6036 299.5909 -6.2562 25.9109 559220.3362 3.0445 3.1546 PRESSURE: 3818000 -57.3273 2.81685 4.05461 2.81836 106.877 -103.207 4.05508 -103.206 163.374 GPRESSURE: 3818000 -13.2595 -17.4484 -23.2188 102.056 134.722 -134.315 21.1018 -127.279 177.362 PRESSAVG: 3818000 82.2664 -8.04207 44.5166 -8.04221 -54.1356 -28.1062 44.5167 -28.1061 -26.8364 GPRESSAVG: 3818000 82.1393 -9.45245 44.5798 -8.19784 -54.1891 -26.9699 44.186 -27.6501 -27.0744 TIMING: 3818000 CPU: 11355, 0.00297474/step Wall: 11355, 0.00297474/step, 0.976707 hours remaining, 207.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3818000 738.6322 2142.2908 1922.4773 113.7356 -206076.1879 17860.2004 0.0000 0.0000 34275.2514 -149023.6003 299.3343 -183298.8517 -148925.0697 299.9729 70.9746 99.6082 559645.9695 0.4315 0.2919 PRESSURE: 3818200 -135.593 -229.338 -106.022 -229.338 -42.52 2.00142 -106.022 2.00159 -187.876 GPRESSURE: 3818200 -66.3552 -257.752 -65.858 -190.321 -28.4809 -15.3599 -138.79 -7.89974 -180.089 PRESSAVG: 3818200 69.1763 -32.8283 36.1529 -32.8284 -23.8248 -39.5556 36.1528 -39.5555 -74.2036 GPRESSAVG: 3818200 71.1487 -34.2365 36.5501 -32.5748 -24.7303 -38.6634 36.4879 -39.8972 -75.4275 TIMING: 3818200 CPU: 11355.6, 0.00294798/step Wall: 11355.6, 0.00294798/step, 0.967757 hours remaining, 207.457031 MB of memory in use. ENERGY: 3818200 720.7331 2131.6083 1913.2967 119.9204 -205753.4185 17584.6162 0.0000 0.0000 34318.8432 -148964.4005 299.7150 -183283.2436 -148865.0548 299.0730 -121.9963 -91.6416 559664.6124 -9.6174 -9.6697 PRESSURE: 3818400 63.02 119.77 -64.1376 119.77 -123.664 -43.9454 -64.1379 -43.9457 20.4498 GPRESSURE: 3818400 83.2111 172.915 -80.6256 73.5482 -86.2104 67.0883 -39.4581 -55.6255 54.3971 PRESSAVG: 3818400 27.1177 2.90745 -15.2697 2.90744 23.3273 -28.4715 -15.2698 -28.4715 -61.0993 GPRESSAVG: 3818400 25.7327 5.19347 -16.5751 2.30077 23.7263 -28.5402 -14.0704 -26.7692 -60.671 TIMING: 3818400 CPU: 11356.2, 0.00295386/step Wall: 11356.2, 0.00295386/step, 0.969521 hours remaining, 207.457031 MB of memory in use. ENERGY: 3818400 763.1556 2082.0685 1903.6790 118.0486 -205867.1352 17769.9180 0.0000 0.0000 34167.3162 -149062.9493 298.3917 -183230.2655 -148965.1647 299.8222 -13.3980 17.1326 559353.6530 -3.5514 -3.7373 PRESSURE: 3818600 50.6097 55.832 -120.578 55.8318 -290.975 18.3003 -120.578 18.2993 -229.108 GPRESSURE: 3818600 50.8688 54.5583 -150.038 -12.0821 -293.785 -49.7145 -106.423 48.9814 -133.513 PRESSAVG: 3818600 54.987 43.5481 -3.90946 43.5482 -49.2723 -41.7243 -3.90951 -41.7243 61.6326 GPRESSAVG: 3818600 54.8405 42.0177 -2.49639 43.8073 -49.333 -40.384 -5.2104 -43.5166 62.703 TIMING: 3818600 CPU: 11356.8, 0.0029608/step Wall: 11356.8, 0.00296081/step, 0.971638 hours remaining, 207.457031 MB of memory in use. ENERGY: 3818600 761.2091 2144.0203 1937.9214 101.4735 -205917.5961 17570.1884 0.0000 0.0000 34251.6831 -149151.1002 299.1285 -183402.7833 -149050.6417 298.8914 -156.4911 -125.4763 558875.7850 22.4491 22.7368 PRESSURE: 3818800 64.3073 -17.1921 79.0142 -17.1928 -38.6903 46.9878 79.012 46.9882 118.139 GPRESSURE: 3818800 69.1035 13.6711 57.587 -3.04952 48.0324 6.333 56.219 71.8925 126.602 PRESSAVG: 3818800 34.2069 29.7834 4.9506 29.7834 -28.1455 -35.41 4.95037 -35.4101 16.0784 GPRESSAVG: 3818800 34.8182 30.5798 3.91432 28.9067 -28.8308 -38.7449 4.55615 -33.1753 16.3895 TIMING: 3818800 CPU: 11357.4, 0.00293439/step Wall: 11357.4, 0.00293439/step, 0.962807 hours remaining, 207.457031 MB of memory in use. ENERGY: 3818800 753.8750 2122.7150 1909.6166 118.3120 -206027.6442 17742.1812 0.0000 0.0000 34223.4798 -149157.4646 298.8822 -183380.9444 -149063.1078 298.9918 47.9188 81.2461 558293.2398 7.3799 7.4590 PRESSURE: 3819000 -306.953 14.0496 -22.9718 14.0499 -30.0299 97.5035 -22.9721 97.5037 -175.842 GPRESSURE: 3819000 -312.381 20.4064 -85.962 -12.33 22.5984 78.9201 9.5215 119.532 -134.801 PRESSAVG: 3819000 -44.6301 51.3132 45.1884 51.3132 7.63135 -37.6099 45.1884 -37.6098 45.5582 GPRESSAVG: 3819000 -45.4694 49.5041 44.517 54.3762 8.15882 -36.2697 47.4069 -38.8581 45.6544 TIMING: 3819000 CPU: 11358, 0.0029678/step Wall: 11358, 0.0029678/step, 0.973603 hours remaining, 207.457031 MB of memory in use. ENERGY: 3819000 752.1814 2162.0910 1897.7083 114.7929 -205752.9291 17561.9238 0.0000 0.0000 34342.8978 -148921.3340 299.9251 -183264.2318 -148825.0479 300.0303 -170.9417 -141.5278 558801.8006 2.8532 2.7813 PRESSURE: 3819200 50.7084 -28.6852 -65.4634 -28.6843 78.6772 -104.957 -65.4629 -104.957 111.116 GPRESSURE: 3819200 17.972 32.5833 9.08228 -46.2742 115.608 -124.484 -83.5304 3.2941 199.714 PRESSAVG: 3819200 -8.5274 -40.6873 49.6105 -40.6873 9.01046 -50.2132 49.6106 -50.2132 52.7735 GPRESSAVG: 3819200 -9.01356 -37.666 49.8816 -44.8804 10.5042 -50.2369 50.1162 -48.8315 52.5029 TIMING: 3819200 CPU: 11358.6, 0.00294192/step Wall: 11358.6, 0.00294192/step, 0.96495 hours remaining, 207.457031 MB of memory in use. ENERGY: 3819200 801.4849 2126.5814 1921.0703 113.8106 -206027.8991 17871.4595 0.0000 0.0000 34428.8757 -148764.6167 300.6759 -183193.4924 -148679.6504 299.9932 80.1671 111.0979 557642.3196 17.7522 17.9978 PRESSURE: 3819400 -126.829 -99.6395 34.4388 -99.6392 16.998 -147.763 34.4397 -147.762 139.416 GPRESSURE: 3819400 -115.033 -68.2911 63.6963 -177.876 49.9609 -126.681 12.2253 -107.814 196.782 PRESSAVG: 3819400 -58.667 -4.72032 -4.32878 -4.72033 37.3371 -46.5944 -4.32876 -46.5943 -20.8714 GPRESSAVG: 3819400 -58.043 -8.88682 -2.88973 -2.23833 36.6702 -46.3411 -5.822 -46.628 -20.5153 TIMING: 3819400 CPU: 11359.2, 0.00294703/step Wall: 11359.2, 0.00294703/step, 0.966461 hours remaining, 207.457031 MB of memory in use. ENERGY: 3819400 781.1836 2078.0216 1937.6251 105.9280 -205745.4401 17851.2675 0.0000 0.0000 34331.2292 -148660.1851 299.8232 -182991.4143 -148570.1491 301.0443 9.8614 43.9034 557940.4352 -14.0671 -13.9627 PRESSURE: 3819600 -87.6767 -24.4037 -51.4873 -24.4046 -28.7251 20.1518 -51.4883 20.1526 -8.81102 GPRESSURE: 3819600 -63.3005 -38.1842 -136.125 -4.98868 6.34636 4.53698 -126.139 -26.2193 25.8464 PRESSAVG: 3819600 -44.5741 -62.1994 5.78066 -62.1994 13.5433 -27.037 5.78069 -27.0371 30.7812 GPRESSAVG: 3819600 -44.258 -58.3396 4.25985 -64.0299 12.8697 -28.0413 6.19413 -28.2954 30.6332 TIMING: 3819600 CPU: 11359.7, 0.0029682/step Wall: 11359.7, 0.0029682/step, 0.973241 hours remaining, 207.457031 MB of memory in use. ENERGY: 3819600 796.8951 2118.4665 1931.0311 104.3705 -206089.0394 17978.3065 0.0000 0.0000 34360.2163 -148799.7534 300.0763 -183159.9697 -148701.7286 300.4066 -41.7376 -10.3693 558243.2782 -0.0832 -0.2517 PRESSURE: 3819800 217.533 -41.2199 109.689 -41.2193 45.3342 105.72 109.688 105.721 463.711 GPRESSURE: 3819800 282.256 -50.8272 130.053 -48.2913 91.0352 97.8658 152.006 192.894 460.754 PRESSAVG: 3819800 -52.9143 14.8141 44.4095 14.8141 -4.82851 20.7705 44.4094 20.7705 78.9378 GPRESSAVG: 3819800 -53.3548 16.0541 43.4918 14.396 -4.22421 22.9007 44.6173 20.4502 78.7465 TIMING: 3819800 CPU: 11360.3, 0.00294134/step Wall: 11360.3, 0.00294134/step, 0.96427 hours remaining, 207.457031 MB of memory in use. ENERGY: 3819800 792.6088 2134.8193 1920.8599 99.8471 -206311.6294 18253.3461 0.0000 0.0000 34307.7998 -148802.3484 299.6185 -183110.1482 -148714.8219 300.5337 242.1926 278.0152 558005.7292 7.0650 7.0558 PRESSURE: 3820000 -96.2057 -111.062 113.052 -111.062 -255.269 48.7138 113.051 48.7135 -39.6797 GPRESSURE: 3820000 -83.6716 -133.152 116.705 -107.468 -180.159 -6.40376 132.583 38.4814 -45.1965 PRESSAVG: 3820000 -33.7925 7.79284 -4.37528 7.79291 -8.5758 25.9026 -4.37534 25.9026 21.1983 GPRESSAVG: 3820000 -33.6655 6.41196 -3.18031 6.92316 -9.67138 23.9816 -3.9851 25.9719 21.2826 TIMING: 3820000 CPU: 11360.9, 0.00293402/step Wall: 11360.9, 0.00293402/step, 0.961707 hours remaining, 207.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3820000 757.1553 2118.7474 1959.5029 113.6747 -205813.0481 17629.3262 0.0000 0.0000 34400.6284 -148834.0132 300.4292 -183234.6416 -148733.1373 300.4821 -130.3849 -103.0091 558253.1713 -7.0567 -7.3514 PRESSURE: 3820200 229.723 66.9676 74.4108 66.9682 229.787 -13.4856 74.4104 -13.4866 131.227 GPRESSURE: 3820200 285.342 83.0598 8.94263 49.3806 250.966 -89.1308 92.2058 13.2742 154.384 PRESSAVG: 3820200 -4.5113 59.4537 0.719491 59.4537 19.9187 22.5583 0.719484 22.5583 13.755 GPRESSAVG: 3820200 -3.68816 58.6827 1.37862 61.2493 18.6474 23.9936 -1.36363 23.6695 14.3132 TIMING: 3820200 CPU: 11361.5, 0.00292373/step Wall: 11361.5, 0.00292373/step, 0.958171 hours remaining, 207.457031 MB of memory in use. ENERGY: 3820200 744.4379 2134.5365 1922.4912 106.3916 -206224.1373 18096.0210 0.0000 0.0000 34338.8285 -148881.4306 299.8895 -183220.2591 -148778.1328 300.2076 196.9120 230.2309 557380.0023 9.7208 9.7575 LDB: ============= START OF LOAD BALANCING ============== 11365.1 LDB: ============== END OF LOAD BALANCING =============== 11365.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11365.1 LDB: ============= START OF LOAD BALANCING ============== 11365.3 LDB: Largest compute 4802 load 0.024533 is 20.7% of average load 0.118304 LDB: Average compute 0.001732 is 1.5% of average load 0.118304 LDB: TIME 11365.3 LOAD: AVG 0.118304 MAX 0.198897 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.512 MB LDB: TIME 11365.3 LOAD: AVG 0.118304 MAX 0.198897 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.516 MB LDB: TIME 11365.3 LOAD: AVG 0.118304 MAX 0.198897 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.516 MB LDB: ============== END OF LOAD BALANCING =============== 11365.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11365.4 PRESSURE: 3820400 77.1453 70.2959 152.011 70.2956 68.4352 125.74 152.011 125.741 10.2323 GPRESSURE: 3820400 109.688 76.3503 157.196 91.9817 86.8389 105.353 134.356 121.849 79.2076 PRESSAVG: 3820400 -36.1784 -14.894 42.7756 -14.894 -11.2687 -39.2768 42.7756 -39.2769 -6.2604 GPRESSAVG: 3820400 -36.5913 -16.4141 42.4053 -12.4877 -10.245 -39.2707 44.2903 -39.7528 -6.98193 TIMING: 3820400 CPU: 11362.1, 0.00298235/step Wall: 11362.1, 0.00298235/step, 0.977215 hours remaining, 208.085938 MB of memory in use. ENERGY: 3820400 775.0239 2098.6968 1927.5605 119.0905 -205876.8251 17657.6472 0.0000 0.0000 34267.8467 -149030.9595 299.2696 -183298.8062 -148930.9108 299.9312 51.9376 91.9115 556055.7147 -17.9025 -17.9394 PRESSURE: 3820600 -130.849 6.84733 -63.0324 6.84772 -129.953 191.644 -63.0319 191.644 -88.4341 GPRESSURE: 3820600 -81.4571 35.8326 -76.6822 -76.9756 -124.302 291.827 -124.621 115.586 -57.7658 PRESSAVG: 3820600 12.0434 -36.5035 49.5291 -36.5035 4.72757 13.9606 49.5291 13.9606 26.8084 GPRESSAVG: 3820600 10.6845 -36.4657 50.8137 -38.7114 6.07143 14.7161 50.7553 10.772 27.0482 TIMING: 3820600 CPU: 11362.7, 0.0029166/step Wall: 11362.7, 0.0029166/step, 0.955512 hours remaining, 208.085938 MB of memory in use. ENERGY: 3820600 772.8116 2110.4512 1935.5757 109.5947 -206211.2619 17787.5833 0.0000 0.0000 34192.4006 -149302.8448 298.6107 -183495.2454 -149206.8373 299.1793 -116.4123 -87.8417 557774.7982 14.5264 14.6014 PRESSURE: 3820800 -1.33447 -115.684 -33.8516 -115.683 53.121 116.714 -33.8529 116.715 -232.435 GPRESSURE: 3820800 25.7608 -92.4605 -81.3507 -17.0266 74.3173 104.989 45.2106 117.562 -185.514 PRESSAVG: 3820800 13.8075 -11.6823 25.6968 -11.6823 8.3976 -4.61834 25.6968 -4.61832 -3.88756 GPRESSAVG: 3820800 15.0567 -10.8125 25.9373 -10.0415 6.26236 -6.15011 22.5558 -4.14501 -3.51201 TIMING: 3820800 CPU: 11363.3, 0.00290384/step Wall: 11363.3, 0.00290384/step, 0.951169 hours remaining, 208.085938 MB of memory in use. ENERGY: 3820800 777.1193 2057.7952 1920.6158 105.6027 -206221.2069 17846.7098 0.0000 0.0000 34261.8489 -149251.5152 299.2172 -183513.3641 -149153.3238 299.4325 -60.2162 -28.4785 557341.1980 6.1058 5.9357 PRESSURE: 3821000 -60.1487 -17.4287 38.0344 -17.4286 8.33446 93.6978 38.0349 93.6987 -502.621 GPRESSURE: 3821000 -62.7575 -66.2966 8.0993 7.29941 1.46498 98.7122 16.0428 66.8905 -393.202 PRESSAVG: 3821000 -33.9579 44.0967 62.9537 44.0967 32.7105 4.33513 62.9537 4.33519 -70.7739 GPRESSAVG: 3821000 -33.1314 44.9892 63.6971 42.1478 33.0463 5.18595 62.6579 6.6354 -71.8785 TIMING: 3821000 CPU: 11363.9, 0.00292664/step Wall: 11363.9, 0.00292665/step, 0.958476 hours remaining, 208.085938 MB of memory in use. ENERGY: 3821000 760.5786 2187.2573 1929.8073 106.9036 -206459.1756 17728.0138 0.0000 0.0000 34393.5318 -149353.0831 300.3673 -183746.6149 -149263.3203 299.1948 -184.8116 -151.4981 556780.4592 -24.0071 -23.9879 PRESSURE: 3821200 -97.4024 46.0738 -31.046 46.0753 133.334 45.1139 -31.047 45.1138 179.069 GPRESSURE: 3821200 -85.3156 -33.0086 -41.7114 100.417 169.504 -1.43255 -68.9829 -44.9969 221.981 PRESSAVG: 3821200 -17.8452 31.1026 33.5453 31.1026 28.5324 -21.8159 33.5453 -21.8159 -4.79684 GPRESSAVG: 3821200 -20.9104 29.3411 31.0496 32.6448 30.6319 -22.2709 36.5637 -23.5817 -3.43161 TIMING: 3821200 CPU: 11364.4, 0.00294332/step Wall: 11364.4, 0.00294332/step, 0.963775 hours remaining, 208.085938 MB of memory in use. ENERGY: 3821200 730.8042 2146.6085 1896.0001 111.8836 -206332.5059 17868.8868 0.0000 0.0000 34220.1089 -149358.2138 298.8527 -183578.3227 -149265.6019 299.3679 71.6670 102.0563 556846.9742 1.9635 2.0966 PRESSURE: 3821400 -103.62 29.7408 103.586 29.7396 -405.344 -83.3629 103.585 -83.3616 -214.372 GPRESSURE: 3821400 -66.2054 -33.6088 172.891 29.0646 -365.048 86.0545 80.0402 -206.669 -193.475 PRESSAVG: 3821400 34.4122 14.7032 55.0823 14.7033 -36.3358 23.0864 55.0823 23.0864 35.697 GPRESSAVG: 3821400 36.1528 15.7836 58.0088 13.9892 -36.5157 22.9358 53.321 24.4603 34.9078 TIMING: 3821400 CPU: 11365, 0.00295467/step Wall: 11365, 0.00295467/step, 0.967327 hours remaining, 208.085938 MB of memory in use. ENERGY: 3821400 780.1120 2111.6715 1944.1021 112.6456 -206331.2302 17727.6174 0.0000 0.0000 34355.5737 -149299.5079 300.0358 -183655.0816 -149197.8220 299.2629 -241.1118 -208.2426 558500.3373 11.2578 11.5149 PRESSURE: 3821600 -434.79 -46.3265 -21.8227 -46.3263 -78.9133 6.8505 -21.8216 6.85195 -100.461 GPRESSURE: 3821600 -391.027 -12.0758 -43.7372 24.0176 -102.87 -37.6516 -23.9214 -7.2894 -40.0099 PRESSAVG: 3821600 -78.9305 -36.7216 31.2975 -36.7216 31.826 -14.332 31.2976 -14.3321 48.3366 GPRESSAVG: 3821600 -76.9552 -34.9884 29.6941 -36.9568 29.2566 -14.8796 31.2715 -15.3757 48.3562 TIMING: 3821600 CPU: 11365.6, 0.0029361/step Wall: 11365.6, 0.0029361/step, 0.961084 hours remaining, 208.085938 MB of memory in use. ENERGY: 3821600 799.4016 2139.3796 1896.9046 106.4451 -206047.9977 17555.6687 0.0000 0.0000 34170.0829 -149380.1152 298.4158 -183550.1981 -149283.1920 299.0207 -204.7216 -177.9690 558686.1143 0.4107 0.2192 PRESSURE: 3821800 -216.55 57.3227 49.5785 57.3234 57.4701 -2.38488 49.5789 -2.38327 159.589 GPRESSURE: 3821800 -160.956 44.5897 74.9748 39.5793 52.4338 0.27823 56.8646 53.3521 200.774 PRESSAVG: 3821800 -24.4335 23.0454 6.84531 23.0454 -99.1021 -6.75372 6.84545 -6.75375 38.7951 GPRESSAVG: 3821800 -26.8073 22.7439 6.57752 25.1088 -96.6402 -5.94484 7.94252 -6.15347 38.5229 TIMING: 3821800 CPU: 11366.2, 0.00292678/step Wall: 11366.2, 0.00292678/step, 0.957869 hours remaining, 208.085938 MB of memory in use. ENERGY: 3821800 730.8843 2087.9822 1940.9532 111.2656 -206245.2086 17797.1272 0.0000 0.0000 34296.4406 -149280.5554 299.5193 -183576.9961 -149184.3651 298.2576 0.1698 30.7505 557748.7620 -28.2468 -28.3082 PRESSURE: 3822000 230.136 -44.6104 76.6081 -44.6111 163.562 -185.428 76.6076 -185.43 172.632 GPRESSURE: 3822000 252.731 -21.4012 18.8931 -8.64455 217.284 -173.183 121.048 -246.816 196.731 PRESSAVG: 3822000 13.0365 -42.2367 7.15958 -42.2367 13.3093 -11.7421 7.15948 -11.7422 -23.4226 GPRESSAVG: 3822000 13.8703 -43.5599 7.05842 -46.1831 12.803 -13.3343 6.57129 -11.5696 -23.221 TIMING: 3822000 CPU: 11366.8, 0.00294087/step Wall: 11366.8, 0.00294087/step, 0.962317 hours remaining, 208.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3822000 718.8587 2147.3817 1914.1539 129.9595 -206604.6684 18083.9948 0.0000 0.0000 34240.9696 -149369.3502 299.0349 -183610.3197 -149273.0450 298.7813 188.7768 222.2488 557021.0713 0.9744 1.1508 PRESSURE: 3822200 -4.8941 36.527 100.042 36.5267 -259.306 -176.843 100.041 -176.843 17.9151 GPRESSURE: 3822200 21.8988 7.64752 88.8993 -46.187 -218.052 -157.008 86.8033 -168.932 40.1846 PRESSAVG: 3822200 -73.4854 11.4886 47.6711 11.4885 50.5194 0.177673 47.6712 0.1776 53.3524 GPRESSAVG: 3822200 -74.6309 11.437 48.7748 12.3491 50.6034 3.11663 47.8152 -0.700233 54.6418 TIMING: 3822200 CPU: 11367.4, 0.00295441/step Wall: 11367.4, 0.00295441/step, 0.966583 hours remaining, 208.085938 MB of memory in use. ENERGY: 3822200 773.7129 2110.6418 1920.9558 94.1634 -206250.6611 17817.2529 0.0000 0.0000 34289.5124 -149244.4220 299.4588 -183533.9344 -149150.4446 298.8102 -82.0950 -51.9895 558453.9692 10.1288 10.2047 PRESSURE: 3822400 0.638431 -69.5704 -66.2154 -69.5727 -57.4994 68.2033 -66.2147 68.2037 -62.0332 GPRESSURE: 3822400 32.3326 -108.338 -40.8048 -23.213 -35.9052 28.8588 -28.9424 17.0673 -21.7776 PRESSAVG: 3822400 26.2016 0.47397 -8.32824 0.474058 -37.2841 2.53891 -8.32821 2.53889 31.4661 GPRESSAVG: 3822400 26.9194 0.0491917 -9.75594 0.597698 -38.3103 2.5291 -8.55833 0.779064 31.719 TIMING: 3822400 CPU: 11368, 0.00293252/step Wall: 11368, 0.00293252/step, 0.959261 hours remaining, 208.085938 MB of memory in use. ENERGY: 3822400 759.0962 2044.3474 1912.8881 112.6348 -205997.0755 17685.4801 0.0000 0.0000 34157.7129 -149324.9159 298.3078 -183482.6289 -149218.2493 299.0419 -39.6314 -8.4501 558244.2494 6.7945 6.7760 PRESSURE: 3822600 106.714 67.603 -128.327 67.6036 13.4333 163.049 -128.326 163.048 163.694 GPRESSURE: 3822600 163.331 61.3137 -154.261 38.4321 31.3895 165.901 -62.7267 151.342 184.437 PRESSAVG: 3822600 -12.1573 -53.4084 -1.23896 -53.4084 -13.3454 36.6962 -1.23888 36.6962 47.827 GPRESSAVG: 3822600 -11.4298 -50.9702 -1.64506 -53.8976 -13.0566 34.4353 -0.904531 40.4768 47.3253 TIMING: 3822600 CPU: 11368.6, 0.00292461/step Wall: 11368.6, 0.00292461/step, 0.956508 hours remaining, 208.085938 MB of memory in use. ENERGY: 3822600 761.1282 2139.1320 1924.4179 124.9795 -206833.3730 18261.0357 0.0000 0.0000 34373.9045 -149248.7753 300.1959 -183622.6797 -149147.3122 299.2930 94.6137 126.3859 556941.4913 7.4415 7.6130 PRESSURE: 3822800 -214.724 -33.9826 132.007 -33.9809 51.5353 188.001 132.007 188.001 -196.847 GPRESSURE: 3822800 -180.796 -103.355 92.3936 -54.8865 52.2638 215.51 169.568 222.588 -129.733 PRESSAVG: 3822800 -37.5535 -55.8078 -41.0931 -55.8078 -6.56733 5.72568 -41.0932 5.72564 45.9727 GPRESSAVG: 3822800 -37.6246 -57.6685 -42.2484 -56.0655 -6.52412 5.7772 -40.3036 3.12475 45.8991 TIMING: 3822800 CPU: 11369.1, 0.00290971/step Wall: 11369.1, 0.00290971/step, 0.951476 hours remaining, 208.085938 MB of memory in use. ENERGY: 3822800 765.1976 2100.8722 1904.7074 103.1760 -205995.0903 17655.7902 0.0000 0.0000 34217.7864 -149247.5605 298.8324 -183465.3469 -149151.0283 299.7553 -120.0120 -86.0885 556784.7631 0.6173 0.5835 PRESSURE: 3823000 -376.931 -32.2469 13.6665 -32.2475 -175.777 -88.6099 13.6662 -88.6103 -212.264 GPRESSURE: 3823000 -316.005 -87.5325 -70.5942 82.2026 -126.835 -103.171 82.0476 -16.2528 -221.561 PRESSAVG: 3823000 -42.7064 -8.63457 -48.2338 -8.63461 45.372 25.7739 -48.2337 25.7738 -33.8287 GPRESSAVG: 3823000 -42.8792 -7.5522 -45.4704 -8.95835 45.8392 24.4327 -50.8656 28.3556 -33.7791 TIMING: 3823000 CPU: 11369.7, 0.00292466/step Wall: 11369.7, 0.00292466/step, 0.956202 hours remaining, 208.085938 MB of memory in use. ENERGY: 3823000 764.3304 2071.9369 1939.9348 110.0341 -205598.0331 17331.6767 0.0000 0.0000 34150.0436 -149230.0766 298.2408 -183380.1202 -149125.8814 299.4397 -254.9904 -221.4668 557292.0241 -10.3877 -10.2730 PRESSURE: 3823200 -17.6193 -4.62836 -37.0305 -4.62816 -338.042 232.293 -37.031 232.293 -51.7471 GPRESSURE: 3823200 17.2084 30.5895 17.7475 -68.4682 -297.869 259.109 -31.5888 139.583 -32.3451 PRESSAVG: 3823200 35.39 21.5312 -54.111 21.5312 -5.22012 5.85667 -54.111 5.85666 -15.7744 GPRESSAVG: 3823200 35.1669 20.9579 -53.8513 22.5253 -5.12454 8.63446 -54.0034 5.00248 -15.7606 TIMING: 3823200 CPU: 11370.3, 0.00295231/step Wall: 11370.3, 0.00295231/step, 0.965076 hours remaining, 208.085938 MB of memory in use. ENERGY: 3823200 795.2767 2097.7350 1930.7385 120.1569 -206118.2208 17676.3901 0.0000 0.0000 34152.8104 -149345.1131 298.2650 -183497.9235 -149247.1841 299.2910 -135.8028 -104.3351 556226.9368 4.7985 4.7606 PRESSURE: 3823400 79.4669 191.115 98.7448 191.113 21.4927 -101.951 98.7445 -101.95 -2.05408 GPRESSURE: 3823400 71.5644 82.8059 86.8481 252.582 54.4217 -160.655 65.5205 -99.0031 84.7368 PRESSAVG: 3823400 -10.4896 14.0118 -1.28693 14.0119 -36.1337 -4.27309 -1.28688 -4.27308 107.055 GPRESSAVG: 3823400 -11.7759 11.8602 -2.84724 14.548 -35.9685 -5.38445 0.284119 -3.10264 107.902 TIMING: 3823400 CPU: 11370.9, 0.00295159/step Wall: 11370.9, 0.00295159/step, 0.964679 hours remaining, 208.085938 MB of memory in use. ENERGY: 3823400 735.1860 2106.0497 1957.4341 106.9156 -206222.3763 17782.5585 0.0000 0.0000 34239.4252 -149294.8074 299.0214 -183534.2326 -149199.8111 299.2191 32.9685 70.2410 556654.9601 20.1438 20.0526 PRESSURE: 3823600 157.828 -25.7397 -34.3495 -25.7408 -191.312 -113.709 -34.3495 -113.709 223.959 GPRESSURE: 3823600 182.686 -85.4975 -61.4836 25.4612 -191.761 -68.0253 -78.3517 -74.6153 297.325 PRESSAVG: 3823600 10.7088 -37.0167 -5.0061 -37.0167 -3.19431 -32.974 -5.00615 -32.974 10.3349 GPRESSAVG: 3823600 11.7609 -37.4265 -5.10514 -37.4879 -3.71689 -32.0625 -5.36973 -34.0632 9.98499 TIMING: 3823600 CPU: 11371.5, 0.0029599/step Wall: 11371.5, 0.0029599/step, 0.967229 hours remaining, 208.085938 MB of memory in use. ENERGY: 3823600 704.3031 2096.6102 1908.6359 107.2974 -206004.3064 17785.7027 0.0000 0.0000 34229.9534 -149171.8036 298.9387 -183401.7570 -149078.6358 299.1559 63.4916 96.0835 557089.3850 5.9498 6.0097 PRESSURE: 3823800 64.5087 -43.0615 50.9967 -43.0632 93.9035 -9.42892 50.9964 -9.43081 -54.1034 GPRESSURE: 3823800 93.7459 -41.5055 -24.8959 19.8259 119.568 7.7952 165.162 -80.4107 -16.947 PRESSAVG: 3823800 -40.2224 -6.80067 -34.2644 -6.8008 16.874 -18.3879 -34.2644 -18.3878 29.2088 GPRESSAVG: 3823800 -40.2815 -5.60503 -32.2474 -6.11956 16.5809 -18.6544 -35.1114 -19.5432 29.5195 TIMING: 3823800 CPU: 11372.1, 0.00297649/step Wall: 11372.1, 0.00297649/step, 0.972486 hours remaining, 208.085938 MB of memory in use. ENERGY: 3823800 718.8561 2108.4762 1920.3972 104.7211 -206169.0295 17765.8840 0.0000 0.0000 34337.0738 -149213.6210 299.8742 -183550.6948 -149120.7350 299.2426 34.7696 65.4556 557628.2971 1.9535 1.9396 PRESSURE: 3824000 -345.735 -157.817 -111.856 -157.816 -21.5424 8.00704 -111.855 8.00685 14.5595 GPRESSURE: 3824000 -302.203 -149.08 -88.8776 -131.932 -30.428 -87.3775 -168.052 -11.2424 80.3738 PRESSAVG: 3824000 -1.49564 3.10739 11.6414 3.10749 -7.89344 33.9066 11.6414 33.9066 -18.3058 GPRESSAVG: 3824000 -1.03543 3.23453 10.5373 2.49063 -7.85658 33.3695 10.8556 35.2853 -19.1768 TIMING: 3824000 CPU: 11372.7, 0.00296972/step Wall: 11372.7, 0.00296972/step, 0.970109 hours remaining, 208.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3824000 771.7785 2069.7627 1904.8355 113.8895 -206464.3664 17884.2028 0.0000 0.0000 34332.7398 -149387.1577 299.8364 -183719.8975 -149279.8225 299.1620 -117.5727 -84.0858 557808.8745 -9.2316 -9.3563 PRESSURE: 3824200 1.28945 -26.1509 18.7324 -26.1517 -202.192 76.0072 18.7305 76.0059 17.2732 GPRESSURE: 3824200 26.2416 -77.2514 44.0024 31.7594 -138.237 48.1253 -60.5695 70.2291 22.9613 PRESSAVG: 3824200 -55.6852 -62.6635 25.0884 -62.6636 2.45433 -59.3956 25.0885 -59.3956 41.1604 GPRESSAVG: 3824200 -54.8118 -63.0657 24.095 -62.3773 2.39458 -59.5845 27.1659 -60.1534 40.0578 TIMING: 3824200 CPU: 11373.3, 0.00295441/step Wall: 11373.3, 0.00295441/step, 0.964944 hours remaining, 208.085938 MB of memory in use. ENERGY: 3824200 753.3895 2080.1625 1941.7211 101.3225 -205974.2968 17627.4602 0.0000 0.0000 34082.4346 -149387.8063 297.6504 -183470.2409 -149293.3732 298.3075 -61.2098 -29.6780 557327.0558 -4.0235 -4.1198 LDB: ============= START OF LOAD BALANCING ============== 11376.8 LDB: ============== END OF LOAD BALANCING =============== 11376.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11376.8 LDB: ============= START OF LOAD BALANCING ============== 11377.1 LDB: Largest compute 4802 load 0.025662 is 21.7% of average load 0.118289 LDB: Average compute 0.001730 is 1.5% of average load 0.118289 LDB: TIME 11377.1 LOAD: AVG 0.118289 MAX 0.196662 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 11377.1 LOAD: AVG 0.118289 MAX 0.196662 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: TIME 11377.1 LOAD: AVG 0.118289 MAX 0.196662 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11377.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11377.1 PRESSURE: 3824400 -135.095 91.8342 -78.0103 91.8359 308.353 241.711 -78.0096 241.712 217.266 GPRESSURE: 3824400 -135.447 128.392 -35.6287 91.9155 312.912 128.515 -14.5525 206.905 303.777 PRESSAVG: 3824400 -2.52679 36.6104 -56.7007 36.6105 17.2766 -21.6476 -56.7006 -21.6477 19.1609 GPRESSAVG: 3824400 -3.6938 35.309 -55.101 36.9918 16.7809 -20.3617 -58.6376 -22.3592 21.1869 TIMING: 3824400 CPU: 11373.9, 0.00301977/step Wall: 11373.9, 0.00301977/step, 0.986122 hours remaining, 207.765625 MB of memory in use. ENERGY: 3824400 737.5787 2089.7823 1911.7258 126.9293 -206542.2782 18080.9334 0.0000 0.0000 34300.3361 -149294.9926 299.5534 -183595.3287 -149195.6907 298.7350 130.1748 160.4142 556897.6690 11.3036 11.4247 PRESSURE: 3824600 26.3176 120.695 37.5469 120.696 -138.963 -85.0758 37.5476 -85.0749 29.8989 GPRESSURE: 3824600 70.9755 154.902 -7.45398 87.7782 -49.4827 -80.4686 41.6215 -132.005 -1.05247 PRESSAVG: 3824600 -47.9228 19.8243 18.7779 19.8242 26.3906 -21.4177 18.7779 -21.4177 23.6444 GPRESSAVG: 3824600 -48.0156 20.8364 17.4087 18.6992 27.8444 -20.712 21.4824 -20.1329 21.8647 TIMING: 3824600 CPU: 11374.5, 0.00296276/step Wall: 11374.5, 0.00296276/step, 0.96734 hours remaining, 207.765625 MB of memory in use. ENERGY: 3824600 742.8153 2097.5383 1924.8719 99.0318 -206267.4624 17646.7242 0.0000 0.0000 34423.3010 -149333.1798 300.6272 -183756.4808 -149239.0904 299.0473 -27.5820 6.8134 556509.9908 0.7041 0.5645 PRESSURE: 3824800 182.371 -23.6936 -162.615 -23.6938 199.247 -27.7955 -162.616 -27.796 355.854 GPRESSURE: 3824800 233.046 -13.4151 -210.558 -13.8421 209.533 -48.1165 -94.0597 -39.1357 393.91 PRESSAVG: 3824800 1.50567 45.3927 8.47553 45.3928 -22.7863 3.97425 8.47555 3.97428 27.3217 GPRESSAVG: 3824800 2.49199 46.5393 8.92939 46.33 -24.8534 3.8109 7.55154 2.36645 28.1957 TIMING: 3824800 CPU: 11375.1, 0.00296957/step Wall: 11375.1, 0.00296957/step, 0.9694 hours remaining, 207.765625 MB of memory in use. ENERGY: 3824800 687.8233 2111.9515 1938.2633 114.5452 -206489.3234 18043.1441 0.0000 0.0000 34278.0585 -149315.5374 299.3588 -183593.5959 -149217.7603 299.1255 245.8240 278.8299 556229.7886 2.0137 1.9448 PRESSURE: 3825000 378.372 -101.824 166.721 -101.824 345.506 41.9081 166.72 41.9078 2.57338 GPRESSURE: 3825000 390.77 -98.6348 159.573 -89.0357 354.531 -12.8446 98.6836 20.2191 79.495 PRESSAVG: 3825000 -1.99217 -40.0339 -12.3369 -40.034 17.8359 15.2351 -12.337 15.2351 1.80557 GPRESSAVG: 3825000 -2.61557 -39.8207 -10.8488 -41.5615 18.0538 14.5265 -15.5836 18.0912 1.57171 TIMING: 3825000 CPU: 11375.7, 0.00297068/step Wall: 11375.7, 0.00297068/step, 0.969598 hours remaining, 207.890625 MB of memory in use. ENERGY: 3825000 771.8737 2062.1085 1952.9399 104.2163 -206433.9321 18128.8161 0.0000 0.0000 34118.3506 -149295.6270 297.9640 -183413.9777 -149195.9852 298.9188 242.1507 274.9319 557771.5334 5.8831 5.6700 PRESSURE: 3825200 -101.278 29.8665 163.548 29.8662 -69.5923 -53.9331 163.549 -53.9331 -62.6706 GPRESSURE: 3825200 -125.76 -44.0823 134.104 187.111 -37.202 -7.72734 114.623 -6.99202 9.66938 PRESSAVG: 3825200 22.3543 -50.5134 34.7723 -50.5134 20.7248 32.9515 34.7724 32.9513 -56.3832 GPRESSAVG: 3825200 24.1861 -51.5504 32.3243 -48.0787 20.3633 32.3786 38.534 31.9383 -58.5605 TIMING: 3825200 CPU: 11376.3, 0.00295119/step Wall: 11376.3, 0.00295119/step, 0.963073 hours remaining, 207.890625 MB of memory in use. ENERGY: 3825200 790.3983 2107.7222 1943.5748 106.0506 -206379.9480 17798.8882 0.0000 0.0000 34261.0299 -149372.2840 299.2101 -183633.3139 -149284.0117 298.3142 -77.8470 -51.0977 557310.3784 -4.4347 -4.6704 PRESSURE: 3825400 -210.788 -96.7622 68.3681 -96.7619 -179.444 -92.5568 68.3668 -92.5551 -155.289 GPRESSURE: 3825400 -161.112 -153.182 54.9314 -0.98143 -175.215 -93.7693 47.5866 -157.851 -100.752 PRESSAVG: 3825400 31.209 -12.3622 51.2212 -12.3621 -63.9296 -8.694 51.2212 -8.69402 -33.3546 GPRESSAVG: 3825400 30.0626 -12.7273 51.9511 -12.6785 -63.4913 -6.49105 51.3446 -9.95266 -33.001 TIMING: 3825400 CPU: 11376.8, 0.00293431/step Wall: 11376.8, 0.00293431/step, 0.957399 hours remaining, 207.890625 MB of memory in use. ENERGY: 3825400 775.7751 2088.8171 1923.1174 119.4334 -206126.6574 17727.6962 0.0000 0.0000 34041.2110 -149450.6072 297.2904 -183491.8181 -149356.0131 298.2797 -181.8406 -145.6928 559513.9086 -22.0251 -22.1432 PRESSURE: 3825600 -444.877 77.9065 2.31149 77.9072 -155.017 100.295 2.31149 100.294 -116.38 GPRESSURE: 3825600 -365.675 38.9186 54.3294 22.8727 -137.299 61.9074 23.7909 16.5003 -108.886 PRESSAVG: 3825600 85.4476 -7.17662 69.7021 -7.17654 -100.789 -5.53329 69.7022 -5.53317 -19.2893 GPRESSAVG: 3825600 84.5858 -6.29195 70.7629 -8.9937 -100.861 -5.75033 66.6571 -5.47272 -18.8316 TIMING: 3825600 CPU: 11377.4, 0.00293621/step Wall: 11377.4, 0.00293621/step, 0.957858 hours remaining, 207.890625 MB of memory in use. ENERGY: 3825600 762.4165 2101.3992 1934.5738 109.5555 -205823.7041 17444.7186 0.0000 0.0000 34147.9772 -149323.0632 298.2228 -183471.0404 -149230.7885 298.4855 -238.7578 -203.9534 558681.5204 -11.5436 -11.7024 PRESSURE: 3825800 -144.839 44.281 -45.5453 44.2815 54.0898 -29.7709 -45.5456 -29.7708 45.0586 GPRESSURE: 3825800 -68.0906 103.594 5.3621 -3.10434 89.1876 5.40604 -6.5471 -42.8663 42.779 PRESSAVG: 3825800 -32.1872 11.3409 26.7606 11.3409 4.21334 27.0568 26.7606 27.0568 -37.5071 GPRESSAVG: 3825800 -30.9465 10.6618 26.5386 11.186 3.29097 27.2764 30.6677 28.5981 -37.9791 TIMING: 3825800 CPU: 11378, 0.00294489/step Wall: 11378, 0.00294489/step, 0.960525 hours remaining, 207.890625 MB of memory in use. ENERGY: 3825800 777.3955 2039.6034 1931.1687 125.2548 -206292.8406 18054.1272 0.0000 0.0000 34241.5022 -149123.7887 299.0396 -183365.2909 -149026.1868 299.1295 -15.2302 21.2920 558736.1636 -21.8270 -21.8782 PRESSURE: 3826000 -188.391 -49.9985 -145.461 -49.9985 -159.54 -16.1993 -145.462 -16.1992 -171.184 GPRESSURE: 3826000 -154.807 -94.9586 -154.885 41.3458 -119.141 12.1574 -249.224 -70.9991 -139.648 PRESSAVG: 3826000 -15.7926 -6.92229 28.2982 -6.92221 9.65143 -18.6074 28.2982 -18.6074 4.64852 GPRESSAVG: 3826000 -16.2877 -5.6912 26.8808 -5.51973 10.7331 -20.3967 27.5852 -20.9369 4.36272 TIMING: 3826000 CPU: 11378.6, 0.00290773/step Wall: 11378.6, 0.00290773/step, 0.948242 hours remaining, 207.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3826000 748.1039 2085.4117 1947.2721 114.1797 -205691.5191 17440.2979 0.0000 0.0000 34279.2612 -149076.9926 299.3693 -183356.2538 -148978.4963 300.1438 -173.0385 -137.8654 558204.6425 -0.4976 -0.3973 PRESSURE: 3826200 -126.671 41.8776 -11.7017 41.8778 -178.12 8.84166 -11.7022 8.84002 172.403 GPRESSURE: 3826200 -52.4591 73.6821 58.3372 8.97067 -168.496 85.2692 -13.3465 -31.3873 184.755 PRESSAVG: 3826200 -66.9772 26.2679 -8.45843 26.2678 33.812 3.28697 -8.45846 3.28703 24.7714 GPRESSAVG: 3826200 -66.8057 24.395 -9.74142 25.7752 33.0901 3.86429 -8.77074 2.77422 25.1149 TIMING: 3826200 CPU: 11379.2, 0.00294195/step Wall: 11379.2, 0.00294195/step, 0.959238 hours remaining, 207.890625 MB of memory in use. ENERGY: 3826200 774.4889 2084.8487 1939.5551 122.2919 -206100.4452 17966.7434 0.0000 0.0000 34066.6249 -149145.8924 297.5123 -183212.5172 -149054.2537 299.3319 -44.1292 -12.0668 558134.8939 -2.7979 -2.8669 PRESSURE: 3826400 -125.376 77.9679 -27.8256 77.9692 1.93442 118.274 -27.8248 118.274 -22.5055 GPRESSURE: 3826400 -114.174 164.071 -13.4885 13.8281 74.1732 120.685 -15.3808 32.8295 -20.7865 PRESSAVG: 3826400 2.48275 0.0446889 29.5055 0.0445339 -9.61412 36.0565 29.5054 36.0566 11.653 GPRESSAVG: 3826400 3.01972 0.543318 30.9665 -1.75446 -9.23247 33.8263 27.8119 38.3253 11.6745 TIMING: 3826400 CPU: 11379.8, 0.0029118/step Wall: 11379.8, 0.0029118/step, 0.949247 hours remaining, 207.890625 MB of memory in use. ENERGY: 3826400 739.7048 2055.6410 1924.5597 111.6402 -206107.8490 17731.1085 0.0000 0.0000 34316.3377 -149228.8570 299.6931 -183545.1947 -149134.8550 299.1496 -48.6490 -20.2625 559200.8718 1.5072 1.8206 PRESSURE: 3826600 -2.73627 -10.9836 75.1426 -10.9856 54.8272 -102.272 75.1423 -102.271 148.924 GPRESSURE: 3826600 23.7437 -4.35087 110.125 -65.0838 89.4396 -97.4521 12.5029 -106.739 196.632 PRESSAVG: 3826600 -79.9093 -35.174 -31.4444 -35.174 72.063 26.7978 -31.4445 26.7979 17.6578 GPRESSAVG: 3826600 -79.2842 -33.9778 -29.1287 -34.3849 71.0686 30.778 -32.2904 27.1695 17.8544 TIMING: 3826600 CPU: 11380.4, 0.00294168/step Wall: 11380.4, 0.00294168/step, 0.958823 hours remaining, 207.957031 MB of memory in use. ENERGY: 3826600 740.0348 2084.8234 1918.9343 115.0679 -206190.9527 17829.2345 0.0000 0.0000 34178.6826 -149324.1752 298.4909 -183502.8578 -149230.1866 299.4057 67.0048 103.2716 557463.5115 3.2705 3.2129 PRESSURE: 3826800 336.815 -59.4736 -123.473 -59.4727 446.006 -42.8797 -123.473 -42.879 56.3197 GPRESSURE: 3826800 385.95 -27.6908 -171.921 -81.9274 483.277 -67.8426 -91.0337 33.5253 77.4231 PRESSAVG: 3826800 -12.7145 32.0844 -12.1669 32.0844 39.9437 -29.5283 -12.1669 -29.5282 4.53149 GPRESSAVG: 3826800 -13.9683 32.2595 -13.7159 31.9517 39.7931 -31.4183 -13.4505 -29.5225 5.04733 TIMING: 3826800 CPU: 11381, 0.00297776/step Wall: 11381, 0.00297776/step, 0.970418 hours remaining, 207.957031 MB of memory in use. ENERGY: 3826800 775.8651 2014.8253 1917.9819 118.6743 -206495.4825 18331.9705 0.0000 0.0000 34123.4574 -149212.7080 298.0086 -183336.1654 -149111.3549 299.3110 279.7137 315.5499 555930.4230 10.5869 10.2907 PRESSURE: 3827000 -215.051 -137.171 47.4397 -137.171 -323.681 -301.072 47.4396 -301.071 -288.336 GPRESSURE: 3827000 -187.268 8.02476 12.5736 -218.898 -298.858 -305.926 149.116 -316.739 -251.697 PRESSAVG: 3827000 -6.50778 14.6501 26.851 14.6503 33.6695 12.486 26.8509 12.4859 -63.2369 GPRESSAVG: 3827000 -6.75974 12.7275 26.2621 15.7441 33.693 10.7342 29.2095 12.7524 -63.4353 TIMING: 3827000 CPU: 11381.5, 0.00299002/step Wall: 11381.5, 0.00299002/step, 0.974248 hours remaining, 207.957031 MB of memory in use. ENERGY: 3827000 746.0603 2094.7646 1921.6669 102.4016 -205942.8264 17596.3613 0.0000 0.0000 34299.4437 -149182.1280 299.5456 -183481.5717 -149091.2869 299.3725 -275.6894 -245.9408 558579.5900 -12.0251 -12.1673 PRESSURE: 3827200 -4.95952 -46.489 46.2143 -46.489 -83.8428 50.2993 46.2135 50.2991 -299.604 GPRESSURE: 3827200 22.2372 11.2886 42.8182 -63.0952 -82.0382 52.0275 50.8281 68.0696 -223.41 PRESSAVG: 3827200 -13.8967 -31.9061 -36.4952 -31.9061 18.6074 -52.5501 -36.4953 -52.5501 -23.8529 GPRESSAVG: 3827200 -12.7257 -32.1337 -35.4507 -30.487 18.5584 -53.2695 -40.2566 -53.1332 -24.1455 TIMING: 3827200 CPU: 11382.2, 0.00300402/step Wall: 11382.2, 0.00300402/step, 0.978643 hours remaining, 207.957031 MB of memory in use. ENERGY: 3827200 736.1279 2057.9694 1943.8022 114.3614 -205992.7143 17593.3748 0.0000 0.0000 34121.6381 -149425.4405 297.9928 -183547.0786 -149326.5634 298.4480 -129.4686 -94.4036 557824.6181 -6.3807 -6.1043 PRESSURE: 3827400 -289.342 160.533 -140.675 160.534 -204.654 -121.621 -140.674 -121.622 -60.6237 GPRESSURE: 3827400 -260.847 163.713 -85.1019 170.506 -142.628 -139.203 -118.741 -20.069 -69.1128 PRESSAVG: 3827400 -56.1155 10.2859 47.3422 10.2859 77.6842 -2.9108 47.3422 -2.91085 -43.6113 GPRESSAVG: 3827400 -55.1077 9.64 46.1031 8.72518 77.369 -2.7889 50.8143 -2.62188 -43.8843 TIMING: 3827400 CPU: 11382.7, 0.00296806/step Wall: 11382.7, 0.00296806/step, 0.966762 hours remaining, 207.957031 MB of memory in use. ENERGY: 3827400 766.2167 2120.8670 1904.6666 104.0360 -206188.0755 17741.8982 0.0000 0.0000 34169.5800 -149380.8109 298.4114 -183550.3909 -149284.3411 298.6803 -184.8732 -157.5292 557879.0304 -7.3475 -7.2077 PRESSURE: 3827600 148.971 -187.996 -63.4113 -187.995 58.6065 -41.7566 -63.4121 -41.757 -69.9698 GPRESSURE: 3827600 171.891 -182.434 -27.7477 -168.253 104.899 -79.208 -2.15231 -19.3803 -43.3012 PRESSAVG: 3827600 2.95667 -9.55379 27.476 -9.55377 -2.08281 -35.7832 27.4761 -35.7831 19.6684 GPRESSAVG: 3827600 1.29339 -6.70921 27.9693 -9.89283 -1.44542 -34.7809 25.619 -36.7611 20.3629 TIMING: 3827600 CPU: 11383.3, 0.00294262/step Wall: 11383.3, 0.00294262/step, 0.958313 hours remaining, 207.957031 MB of memory in use. ENERGY: 3827600 723.3498 2038.0465 1907.8185 120.7335 -206457.9325 17877.7252 0.0000 0.0000 34485.4524 -149304.8067 301.1700 -183790.2591 -149197.6682 299.1383 45.8694 77.8293 555659.6868 6.8474 6.7370 PRESSURE: 3827800 -229.528 30.9744 62.7391 30.9739 153.453 135.462 62.7372 135.463 3.89282 GPRESSURE: 3827800 -186.748 17.8797 55.161 33.4324 172.208 81.7195 25.2652 79.6727 35.7287 PRESSAVG: 3827800 -78.9485 -83.5715 9.87722 -83.5716 84.6118 -34.9304 9.87714 -34.9303 5.26933 GPRESSAVG: 3827800 -76.9042 -85.3694 8.76265 -81.9502 83.7792 -32.8226 11.0775 -35.7181 4.21947 TIMING: 3827800 CPU: 11383.9, 0.00293455/step Wall: 11383.9, 0.00293455/step, 0.955523 hours remaining, 207.957031 MB of memory in use. ENERGY: 3827800 730.8795 2087.1503 1915.9949 119.2513 -206432.3206 17829.3199 0.0000 0.0000 34382.9700 -149366.7546 300.2750 -183749.7247 -149273.7169 299.6143 -24.0605 7.0629 555258.1205 3.6442 3.6981 PRESSURE: 3828000 -9.87333 -80.1646 82.554 -80.1658 60.6823 -108.644 82.5532 -108.643 108.335 GPRESSURE: 3828000 10.9183 -95.0065 78.4189 3.83947 107.493 -97.3981 25.5555 -65.0536 125.596 PRESSAVG: 3828000 -108.669 13.6219 -35.3421 13.6221 59.3323 0.996893 -35.3421 0.996813 39.5688 GPRESSAVG: 3828000 -110.863 14.4903 -36.0235 13.8701 60.0697 -0.763491 -33.8498 -0.130596 40.3391 TIMING: 3828000 CPU: 11384.5, 0.00294985/step Wall: 11384.5, 0.00294985/step, 0.96034 hours remaining, 207.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3828000 806.4892 2044.6283 1918.7656 115.9379 -206412.2350 17990.5566 0.0000 0.0000 34240.8975 -149294.9598 299.0343 -183535.8574 -149195.5048 299.2212 53.0481 81.3355 556691.7717 -3.2560 -3.4846 PRESSURE: 3828200 -370.237 -24.8564 93.6737 -24.8566 -121.239 -290.847 93.6742 -290.846 -47.2055 GPRESSURE: 3828200 -325.376 2.70578 70.4318 -102.861 -73.1846 -219.041 89.107 -243.133 -31.4149 PRESSAVG: 3828200 -64.0478 60.3371 -2.54173 60.337 35.5135 -8.74076 -2.54171 -8.7406 10.9934 GPRESSAVG: 3828200 -63.1617 61.6758 -1.30924 58.0608 35.7538 -6.99488 -4.18797 -7.39982 10.4341 TIMING: 3828200 CPU: 11385.1, 0.00295425/step Wall: 11385.1, 0.00295425/step, 0.96161 hours remaining, 207.957031 MB of memory in use. ENERGY: 3828200 780.9035 2097.5600 1910.3392 123.1768 -206120.2415 17475.6573 0.0000 0.0000 34345.8023 -149386.8024 299.9504 -183732.6048 -149301.6341 298.4758 -179.5605 -143.3253 556836.2396 -5.8470 -5.6579 LDB: ============= START OF LOAD BALANCING ============== 11388.6 LDB: ============== END OF LOAD BALANCING =============== 11388.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11388.6 LDB: ============= START OF LOAD BALANCING ============== 11388.9 LDB: Largest compute 4802 load 0.024304 is 20.6% of average load 0.118257 LDB: Average compute 0.001730 is 1.5% of average load 0.118257 LDB: TIME 11388.9 LOAD: AVG 0.118257 MAX 0.196896 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.094 MB LDB: TIME 11388.9 LOAD: AVG 0.118257 MAX 0.196896 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.094 MB LDB: TIME 11388.9 LOAD: AVG 0.118257 MAX 0.196896 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.094 MB LDB: ============== END OF LOAD BALANCING =============== 11388.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11388.9 PRESSURE: 3828400 72.3869 148.477 280.98 148.478 -54.9129 1.79848 280.979 1.79794 178.328 GPRESSURE: 3828400 67.836 71.2527 187.062 276.445 5.18413 -13.7348 286.221 35.8749 228.421 PRESSAVG: 3828400 -68.3113 -3.10932 56.9302 -3.10933 30.9519 18.6231 56.9302 18.6231 4.4272 GPRESSAVG: 3828400 -67.9307 -3.67765 55.5136 -5.11957 30.6815 18.0479 57.0709 19.2288 4.65559 TIMING: 3828400 CPU: 11385.7, 0.00298756/step Wall: 11385.7, 0.00298756/step, 0.972286 hours remaining, 207.765625 MB of memory in use. ENERGY: 3828400 722.9339 2088.5438 1891.1771 118.9860 -206534.1635 17899.9832 0.0000 0.0000 34332.8564 -149479.6831 299.8374 -183812.5395 -149378.9368 298.7812 65.2672 100.4803 555586.9090 -10.9774 -10.8645 PRESSURE: 3828600 -48.0714 -67.5995 -27.379 -67.5993 34.0641 -23.4312 -27.3805 -23.429 -127.383 GPRESSURE: 3828600 -13.9643 -52.946 -19.7304 -63.86 68.9163 -17.2205 -9.67984 -92.076 -106.357 PRESSAVG: 3828600 -4.19704 58.0377 93.1681 58.0377 -48.7852 -3.72122 93.168 -3.72135 51.0668 GPRESSAVG: 3828600 -4.86661 58.6839 97.0411 58.1746 -49.0115 -4.44045 92.3214 -4.03609 51.9214 TIMING: 3828600 CPU: 11386.3, 0.00294926/step Wall: 11386.3, 0.00294926/step, 0.959656 hours remaining, 207.765625 MB of memory in use. ENERGY: 3828600 797.9093 2118.4104 1935.4357 101.1087 -206306.4194 17785.8957 0.0000 0.0000 34001.5574 -149566.1022 296.9441 -183567.6595 -149468.8877 298.6567 -47.1302 -17.1350 555050.4429 -0.6385 -0.6522 PRESSURE: 3828800 -275.302 13.1306 -78.1596 13.1299 -64.3867 4.56271 -78.1585 4.56196 -91.0316 GPRESSURE: 3828800 -181.86 25.476 -32.3339 -25.1469 -27.9694 -34.3311 -145.901 -11.825 -118.072 PRESSAVG: 3828800 28.791 64.6411 2.35822 64.641 14.006 29.3656 2.35834 29.3655 -64.8954 GPRESSAVG: 3828800 28.4257 64.6009 2.73088 65.1855 14.3294 29.7413 1.81803 30.6373 -65.0851 TIMING: 3828800 CPU: 11386.9, 0.00297642/step Wall: 11386.9, 0.00297642/step, 0.968328 hours remaining, 207.765625 MB of memory in use. ENERGY: 3828800 775.1871 2114.3614 1910.4448 120.3775 -205952.4195 17537.2645 0.0000 0.0000 34108.0072 -149386.7769 297.8737 -183494.7842 -149282.2768 298.4287 -143.5735 -109.3007 555832.7703 -7.3661 -7.4434 PRESSURE: 3829000 149.647 -101.431 -66.8707 -101.431 19.5988 -40.5464 -66.8717 -40.5453 -198.382 GPRESSURE: 3829000 154.869 -89.3328 -72.2117 -87.64 117.335 -79.6072 -36.667 -10.8301 -182.647 PRESSAVG: 3829000 46.4889 -58.2457 -16.3502 -58.2457 -34.0753 24.5355 -16.3502 24.5356 -22.1102 GPRESSAVG: 3829000 47.2609 -60.9477 -18.5041 -57.1796 -33.747 23.7613 -15.4942 24.2359 -23.2518 TIMING: 3829000 CPU: 11387.5, 0.00296048/step Wall: 11387.5, 0.00296048/step, 0.962979 hours remaining, 207.765625 MB of memory in use. ENERGY: 3829000 757.2830 2127.4741 1911.1959 117.7477 -206586.6216 17936.1187 0.0000 0.0000 34371.4671 -149365.3350 300.1746 -183736.8021 -149267.4224 299.3790 -9.7121 29.8524 556564.9641 -3.2322 -3.2460 PRESSURE: 3829200 130.111 93.9974 -1.14475 93.9965 -71.9426 65.944 -1.14544 65.9452 -392.746 GPRESSURE: 3829200 173.257 105.863 8.81046 139.341 -68.7956 26.7423 -33.7193 110.317 -344.881 PRESSAVG: 3829200 74.3632 -64.3797 20.4287 -64.3796 13.3477 -4.63406 20.4287 -4.63403 -15.7446 GPRESSAVG: 3829200 73.6219 -62.6533 23.4445 -64.7911 13.4394 -3.56489 17.9509 -7.86602 -15.4442 TIMING: 3829200 CPU: 11388.1, 0.00293563/step Wall: 11388.1, 0.00293563/step, 0.954731 hours remaining, 207.765625 MB of memory in use. ENERGY: 3829200 759.5922 2067.2624 1910.9405 124.5922 -206004.5971 17635.5843 0.0000 0.0000 34065.8241 -149440.8013 297.5053 -183506.6254 -149341.7016 299.0398 -111.5259 -80.1396 556962.4108 23.9888 23.8724 PRESSURE: 3829400 186.687 -12.9619 41.5587 -12.9627 110.077 14.3729 41.5601 14.373 52.4956 GPRESSURE: 3829400 205.832 -29.45 -7.01497 -73.3937 87.3292 102.877 -9.51872 15.9594 133.596 PRESSAVG: 3829400 -4.35504 -12.9794 20.9411 -12.9794 42.7718 11.8691 20.9412 11.869 -62.7235 GPRESSAVG: 3829400 -4.64007 -14.5201 18.0321 -10.9316 41.8123 11.9724 23.9715 14.4372 -61.9958 TIMING: 3829400 CPU: 11388.6, 0.00291763/step Wall: 11388.6, 0.00291764/step, 0.948718 hours remaining, 207.765625 MB of memory in use. ENERGY: 3829400 750.7942 2125.7613 1909.7604 121.7288 -206615.6231 18046.2020 0.0000 0.0000 34290.6606 -149370.7157 299.4689 -183661.3764 -149270.9984 298.8353 116.4199 142.2522 555968.7943 -8.1022 -8.2745 PRESSURE: 3829600 -65.9924 -66.3108 58.9394 -66.3109 -152.606 93.6279 58.9385 93.6281 -17.2096 GPRESSURE: 3829600 -83.7707 16.0671 11.5577 -164.203 -40.4811 95.985 103.63 90.8857 -17.0306 PRESSAVG: 3829600 25.7236 34.282 2.5496 34.2821 1.59625 18.0065 2.5495 18.0066 -19.3677 GPRESSAVG: 3829600 26.8 34.936 4.11422 32.6508 1.89578 17.8579 2.43164 18.4439 -21.2743 TIMING: 3829600 CPU: 11389.2, 0.00294895/step Wall: 11389.2, 0.00294895/step, 0.958735 hours remaining, 207.765625 MB of memory in use. ENERGY: 3829600 761.9597 2107.6690 1940.9396 107.7635 -206075.1839 17714.8049 0.0000 0.0000 34108.1305 -149333.9167 297.8748 -183442.0472 -149228.5262 298.9326 -78.6026 -47.0941 557193.8959 2.6507 2.4738 PRESSURE: 3829800 -139.751 21.1791 215.745 21.1786 25.8083 -152.918 215.744 -152.918 40.5363 GPRESSURE: 3829800 -111.7 83.1231 226.437 10.3382 6.75169 -191.214 229.966 -109.495 109.027 PRESSAVG: 3829800 33.1117 -44.4644 40.565 -44.4643 -22.2404 17.9805 40.5651 17.9805 -38.8862 GPRESSAVG: 3829800 33.3407 -45.9718 38.4477 -43.028 -22.8801 15.6409 42.5191 18.5796 -38.6402 TIMING: 3829800 CPU: 11389.8, 0.00295731/step Wall: 11389.8, 0.00295731/step, 0.96129 hours remaining, 207.765625 MB of memory in use. ENERGY: 3829800 771.6143 2117.2135 1918.5355 101.2287 -206342.6887 17872.5722 0.0000 0.0000 34287.2683 -149274.2560 299.4392 -183561.5243 -149174.5107 299.0579 -24.4688 1.3595 557849.9230 -9.3383 -9.3932 PRESSURE: 3830000 69.91 11.3783 15.8512 11.3777 46.5501 -78.5502 15.8511 -78.5494 -133.934 GPRESSURE: 3830000 148.64 38.8827 36.32 -76.9438 46.2163 -106.08 27.3249 29.7763 -116.734 PRESSAVG: 3830000 43.613 -29.6357 20.5737 -29.6358 40.0866 -79.5395 20.5736 -79.5395 -86.3481 GPRESSAVG: 3830000 42.8928 -27.7989 23.3986 -31.3006 40.8588 -76.3198 17.3697 -80.6846 -86.2222 TIMING: 3830000 CPU: 11390.4, 0.00297312/step Wall: 11390.4, 0.00297312/step, 0.966264 hours remaining, 207.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3830000 741.8854 2088.0683 1933.4454 110.6473 -206161.9749 17803.2486 0.0000 0.0000 34339.7036 -149144.9764 299.8972 -183484.6800 -149053.1637 299.6201 -5.8248 26.0410 560766.0764 -0.8828 -0.8235 PRESSURE: 3830200 -51.8588 -97.0803 12.8795 -97.082 -164.627 47.0012 12.8802 47.0009 1.99757 GPRESSURE: 3830200 0.0348683 20.6606 38.363 -232.154 -110.524 1.82326 0.218305 -14.3605 -3.59247 PRESSAVG: 3830200 56.9812 4.93968 41.5704 4.93962 -38.9586 -22.7135 41.5704 -22.7136 -8.74581 GPRESSAVG: 3830200 56.5598 4.34099 39.4489 6.81915 -38.6409 -21.7251 43.2151 -22.7776 -8.6729 TIMING: 3830200 CPU: 11391, 0.00293525/step Wall: 11391, 0.00293525/step, 0.953794 hours remaining, 207.765625 MB of memory in use. ENERGY: 3830200 739.5911 2127.7333 1916.6841 110.5476 -206160.9792 17737.1920 0.0000 0.0000 34260.7420 -149268.4890 299.2076 -183529.2310 -149172.5991 299.6912 -71.4962 -38.0271 559381.0518 3.0923 3.0820 PRESSURE: 3830400 20.4918 67.1148 -1.70341 67.1148 27.1669 -64.8951 -1.70408 -64.8954 3.06345 GPRESSURE: 3830400 -0.635313 11.2573 48.0148 48.6987 94.9315 -15.9197 26.043 -114.699 52.28 PRESSAVG: 3830400 59.0497 -6.96234 -40.7017 -6.96226 -62.9809 -58.6221 -40.7017 -58.6222 -16.0587 GPRESSAVG: 3830400 58.4437 -5.1527 -40.2824 -9.36562 -62.4064 -60.415 -42.5431 -55.4847 -16.0029 TIMING: 3830400 CPU: 11391.6, 0.00293196/step Wall: 11391.6, 0.00293196/step, 0.952562 hours remaining, 207.765625 MB of memory in use. ENERGY: 3830400 749.5428 2132.3250 1916.9566 120.9528 -206367.3657 17862.9820 0.0000 0.0000 34228.6020 -149356.0046 298.9269 -183584.6066 -149259.2294 299.1147 16.9074 48.8587 557342.7307 -6.6633 -6.6552 PRESSURE: 3830600 148.575 -96.821 42.4802 -96.8204 -57.4448 24.16 42.4799 24.1597 -113.729 GPRESSURE: 3830600 248.649 -144.08 97.8538 -84.5381 -6.98176 16.179 95.0113 34.11 -167.56 PRESSAVG: 3830600 63.9703 -25.6554 -21.6413 -25.6554 -71.0866 -2.79276 -21.6413 -2.79288 23.8163 GPRESSAVG: 3830600 65.5294 -25.5075 -20.5811 -24.8316 -70.9662 -0.555883 -19.3882 -5.45388 22.1485 TIMING: 3830600 CPU: 11392.2, 0.00293081/step Wall: 11392.2, 0.00293081/step, 0.952024 hours remaining, 207.765625 MB of memory in use. ENERGY: 3830600 726.0689 2073.1363 1924.8363 117.7175 -206215.8405 17742.4335 0.0000 0.0000 34394.6476 -149237.0003 300.3770 -183631.6479 -149139.4923 298.6552 -7.5331 24.7025 558450.8083 5.5667 5.5706 PRESSURE: 3830800 -195.116 -33.2193 -19.5457 -33.2188 -168.243 67.1803 -19.5451 67.179 -102.046 GPRESSURE: 3830800 -126.94 19.4321 30.4496 -55.7611 -131.758 -11.4624 -83.1086 135.457 -96.2682 PRESSAVG: 3830800 62.4202 18.3158 63.5923 18.3159 -72.9489 19.7821 63.5923 19.782 -2.25378 GPRESSAVG: 3830800 62.9626 16.9579 64.6966 17.7484 -75.3609 16.6241 60.3327 19.6436 -0.91597 TIMING: 3830800 CPU: 11392.8, 0.00293551/step Wall: 11392.8, 0.00293551/step, 0.953388 hours remaining, 207.765625 MB of memory in use. ENERGY: 3830800 699.9093 2081.3237 1929.5524 114.5045 -205830.9623 17570.9200 0.0000 0.0000 34275.1997 -149159.5527 299.3338 -183434.7523 -149059.1997 299.5412 -155.1347 -118.3222 559368.6930 -4.2608 -4.4381 PRESSURE: 3831000 31.3062 3.8203 -23.2181 3.81998 104.227 5.86905 -23.2159 5.86938 -67.4039 GPRESSURE: 3831000 81.1573 14.8079 -2.98919 -26.0092 96.7929 20.5352 -175.017 -34.9614 -11.335 PRESSAVG: 3831000 -4.71016 42.0848 7.68256 42.0848 11.4791 16.127 7.68271 16.127 -11.871 GPRESSAVG: 3831000 -6.62959 43.4236 6.05127 43.3567 13.3302 16.6993 8.99215 16.9165 -11.7332 TIMING: 3831000 CPU: 11393.4, 0.00294419/step Wall: 11393.4, 0.00294419/step, 0.956043 hours remaining, 207.765625 MB of memory in use. ENERGY: 3831000 762.3602 2107.2088 1937.8117 106.4196 -206181.4445 17967.6323 0.0000 0.0000 34178.4208 -149121.5912 298.4886 -183300.0119 -149029.3023 298.3284 22.7099 55.5384 558436.6465 -1.7007 -1.6775 PRESSURE: 3831200 -76.069 188.243 38.045 188.242 -22.8231 -87.4579 38.0446 -87.4568 -145.131 GPRESSURE: 3831200 -32.0633 192.26 102.635 231.393 -15.0233 -20.2742 15.3549 -173.246 -96.7682 PRESSAVG: 3831200 -22.9254 14.0436 14.6451 14.0436 42.0315 27.9379 14.6451 27.9379 -16.942 GPRESSAVG: 3831200 -21.7794 12.3485 13.4867 14.6789 41.3744 28.6151 15.5225 27.0152 -17.096 TIMING: 3831200 CPU: 11393.9, 0.00294836/step Wall: 11393.9, 0.00294836/step, 0.957233 hours remaining, 207.765625 MB of memory in use. ENERGY: 3831200 731.0435 2077.2532 1938.5030 108.0147 -206233.7144 17874.5887 0.0000 0.0000 34254.9759 -149249.3355 299.1572 -183504.3114 -149153.2564 299.7781 -81.3410 -47.9516 558339.0056 0.7213 0.8330 PRESSURE: 3831400 -272.041 18.7807 -93.4268 18.7812 -188.794 16.6649 -93.4273 16.6665 -395.694 GPRESSURE: 3831400 -243.87 32.5251 -93.9596 -108.012 -147.877 -72.165 -80.8229 60.3285 -377.339 PRESSAVG: 3831400 -2.31519 -38.0525 -60.733 -38.0526 10.3369 77.081 -60.733 77.0811 -8.63927 GPRESSAVG: 3831400 -2.4042 -37.3953 -58.5948 -40.1119 10.0946 77.5892 -59.2336 76.1647 -7.86811 TIMING: 3831400 CPU: 11394.5, 0.00298643/step Wall: 11394.5, 0.00298643/step, 0.969428 hours remaining, 207.765625 MB of memory in use. ENERGY: 3831400 753.6642 2129.2026 1896.8564 101.3734 -205916.4831 17490.8325 0.0000 0.0000 34262.7628 -149281.7912 299.2252 -183544.5539 -149186.8543 298.9941 -285.5099 -256.3621 559207.4435 -0.2059 -0.0592 PRESSURE: 3831600 111.555 13.4964 12.422 13.4948 -24.9703 146.229 12.4231 146.229 121.462 GPRESSURE: 3831600 157.304 -1.71859 54.8138 -46.2946 38.8889 164.554 -53.2465 64.5055 117.884 PRESSAVG: 3831600 29.2704 -19.6024 -37.5659 -19.6023 3.95718 50.1134 -37.566 50.1133 -18.8278 GPRESSAVG: 3831600 28.9804 -18.9259 -39.5482 -18.1357 4.83286 49.9029 -37.1037 51.1856 -19.2508 TIMING: 3831600 CPU: 11395.1, 0.00297182/step Wall: 11395.1, 0.00297182/step, 0.96452 hours remaining, 207.765625 MB of memory in use. ENERGY: 3831600 763.5936 2022.5647 1942.8373 137.5614 -206329.7855 18037.2818 0.0000 0.0000 34234.6102 -149191.3365 298.9794 -183425.9467 -149095.2521 299.5270 69.3490 104.6923 557543.4292 4.7999 4.8541 PRESSURE: 3831800 -206.692 157.63 -51.2037 157.63 -19.6251 136.744 -51.2038 136.744 183.291 GPRESSURE: 3831800 -147.63 184.559 -93.1021 144.623 -3.31585 103.688 -61.9876 139.014 204.937 PRESSAVG: 3831800 -15.6314 19.1614 -11.4754 19.1613 4.13617 58.1707 -11.4755 58.1708 42.0528 GPRESSAVG: 3831800 -15.7513 19.233 -10.475 16.3286 3.65139 57.2978 -13.0772 58.2846 42.0026 TIMING: 3831800 CPU: 11395.7, 0.00294271/step Wall: 11395.7, 0.00294271/step, 0.95491 hours remaining, 207.765625 MB of memory in use. ENERGY: 3831800 782.2665 2152.4597 1911.2977 126.4541 -206499.6345 17988.3449 0.0000 0.0000 34478.7366 -149060.0750 301.1114 -183538.8116 -148966.3976 299.4749 -14.3421 17.9970 558503.4763 10.1859 9.9676 PRESSURE: 3832000 -187.227 -205.548 -100.343 -205.549 -205.545 -119.309 -100.342 -119.309 289.408 GPRESSURE: 3832000 -125.053 -209.371 -105.882 -231.235 -217.471 -236.624 -112.3 -96.498 333.862 PRESSAVG: 3832000 -24.7366 36.0349 -68.7715 36.035 -52.8691 7.59936 -68.7716 7.59945 79.6079 GPRESSAVG: 3832000 -24.1096 35.8211 -69.2593 39.7122 -52.5953 5.65195 -68.3589 8.81793 78.7161 TIMING: 3832000 CPU: 11396.3, 0.00298186/step Wall: 11396.3, 0.00298186/step, 0.967448 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3832000 714.3937 2096.1336 1911.3635 113.5709 -205872.2726 17601.0826 0.0000 0.0000 34420.8236 -149014.9047 300.6056 -183435.7283 -148919.7389 299.4939 -34.4545 -2.8875 558528.8725 0.6674 0.6704 PRESSURE: 3832200 -164.535 84.0582 -66.8212 84.0589 10.5497 22.7295 -66.8228 22.7273 97.5617 GPRESSURE: 3832200 -105.022 -20.2529 -29.601 149.692 25.1606 70.089 -86.5574 -2.81167 121.57 PRESSAVG: 3832200 -86.8942 -3.38643 -17.0424 -3.38648 -31.871 -31.0171 -17.0424 -31.0172 112.554 GPRESSAVG: 3832200 -85.78 -3.42845 -15.5281 -4.27842 -32.6757 -28.9224 -17.6428 -32.7498 112.128 TIMING: 3832200 CPU: 11396.9, 0.00298203/step Wall: 11396.9, 0.00298203/step, 0.967337 hours remaining, 208.023438 MB of memory in use. ENERGY: 3832200 732.1937 2155.8054 1901.7578 116.3009 -205675.3976 17707.4443 0.0000 0.0000 34214.6197 -148847.2758 298.8048 -183061.8955 -148754.7729 299.4362 -18.8079 13.9026 557508.0088 -2.0704 -2.1091 LDB: ============= START OF LOAD BALANCING ============== 11400.5 LDB: ============== END OF LOAD BALANCING =============== 11400.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11400.5 LDB: ============= START OF LOAD BALANCING ============== 11400.8 LDB: Largest compute 4802 load 0.023433 is 19.8% of average load 0.118308 LDB: Average compute 0.001734 is 1.5% of average load 0.118308 LDB: TIME 11400.8 LOAD: AVG 0.118308 MAX 0.199195 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 11400.8 LOAD: AVG 0.118308 MAX 0.199195 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: TIME 11400.8 LOAD: AVG 0.118308 MAX 0.199195 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: ============== END OF LOAD BALANCING =============== 11400.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11400.8 PRESSURE: 3832400 7.45924 -146.632 -85.7116 -146.633 206.26 55.2232 -85.7119 55.2235 49.7649 GPRESSURE: 3832400 93.3808 -139.435 -27.9691 -167.836 198.882 29.8195 -75.5279 75.7518 59.7554 PRESSAVG: 3832400 -36.3917 23.898 -38.5256 23.8979 -1.87762 32.7006 -38.5257 32.7007 43.0869 GPRESSAVG: 3832400 -36.7018 24.7201 -39.3745 24.5075 -1.94398 32.0035 -38.3317 34.1852 43.4089 TIMING: 3832400 CPU: 11397.5, 0.00300682/step Wall: 11397.5, 0.00300682/step, 0.975211 hours remaining, 208.175781 MB of memory in use. ENERGY: 3832400 764.9518 2069.0973 1906.0986 121.5623 -206081.6885 17940.5337 0.0000 0.0000 34355.9255 -148923.5192 300.0388 -183279.4447 -148835.4036 300.2426 87.8282 117.3395 556422.7705 1.6059 1.5877 PRESSURE: 3832600 -4.00648 60.1018 -20.4575 60.1012 -228.906 103.448 -20.4564 103.448 -76.8836 GPRESSURE: 3832600 79.0287 148.763 27.2351 60.5087 -225.745 100.595 -89.8817 113.856 -65.8584 PRESSAVG: 3832600 13.4502 -4.58129 -12.9852 -4.58132 -31.6326 -4.65546 -12.9853 -4.6555 49.8864 GPRESSAVG: 3832600 12.5662 -5.35559 -11.6979 -4.88152 -31.1422 -4.62979 -15.1621 -6.1109 49.9167 TIMING: 3832600 CPU: 11398.1, 0.00293564/step Wall: 11398.1, 0.00293564/step, 0.951963 hours remaining, 208.304688 MB of memory in use. ENERGY: 3832600 722.6573 2112.1878 1907.2667 122.8356 -205773.4906 17630.2793 0.0000 0.0000 34346.6076 -148931.6563 299.9575 -183278.2639 -148831.8045 299.9286 -103.2655 -70.8583 559029.1694 10.5680 10.4469 PRESSURE: 3832800 29.8216 -47.6586 -110.873 -47.6593 6.67663 19.1453 -110.873 19.1452 83.9634 GPRESSURE: 3832800 96.1307 23.6913 -119.747 -45.1219 24.8416 49.1506 -144.123 -10.9772 97.6843 PRESSAVG: 3832800 19.024 0.516794 34.4886 0.516856 -25.2393 -23.7509 34.4886 -23.7509 21.0314 GPRESSAVG: 3832800 18.3508 0.467354 32.0928 1.42017 -25.2971 -22.1142 36.1424 -22.1848 21.5552 TIMING: 3832800 CPU: 11398.7, 0.00293662/step Wall: 11398.7, 0.00293662/step, 0.952117 hours remaining, 208.304688 MB of memory in use. ENERGY: 3832800 741.0667 2083.1846 1926.5066 116.4054 -206275.3683 17927.3579 0.0000 0.0000 34589.6426 -148891.2045 302.0800 -183480.8470 -148789.1756 300.0998 40.1539 72.8855 558295.7949 4.9387 4.8696 PRESSURE: 3833000 293.409 -93.3252 85.8056 -93.326 102.568 24.109 85.806 24.1082 208.725 GPRESSURE: 3833000 334.622 -2.20692 154.066 -198.02 167.537 42.8515 80.7182 -39.9732 199.702 PRESSAVG: 3833000 4.55795 7.68135 43.0019 7.68136 -38.5477 -3.55935 43.0019 -3.55936 41.3716 GPRESSAVG: 3833000 5.62104 7.50158 42.6112 7.21907 -38.3679 -7.35658 43.7051 -3.60061 40.3956 TIMING: 3833000 CPU: 11399.3, 0.00294723/step Wall: 11399.3, 0.00294723/step, 0.955394 hours remaining, 208.304688 MB of memory in use. ENERGY: 3833000 700.5015 2102.5144 1901.8531 117.8858 -206099.0317 17872.6003 0.0000 0.0000 34505.5911 -148898.0856 301.3459 -183403.6767 -148796.8648 300.0097 201.5672 233.9539 557929.2268 2.4606 2.5496 PRESSURE: 3833200 -194.618 11.3311 42.9935 11.3316 -83.2072 -10.4877 42.9931 -10.4877 -253.652 GPRESSURE: 3833200 -194.452 2.67376 33.8707 -48.1228 -39.7934 59.4526 51.3763 7.67343 -200.485 PRESSAVG: 3833200 120.605 -9.78406 47.3334 -9.78405 -36.0051 19.9178 47.3333 19.9178 -31.5909 GPRESSAVG: 3833200 120.619 -8.89666 48.6231 -11.9536 -36.587 22.4094 45.3456 19.7646 -30.536 TIMING: 3833200 CPU: 11399.9, 0.00290995/step Wall: 11399.9, 0.00290995/step, 0.943146 hours remaining, 208.304688 MB of memory in use. ENERGY: 3833200 742.0486 2093.6627 1917.2842 108.5220 -205364.9012 17496.3324 0.0000 0.0000 33961.3429 -149045.7085 296.5929 -183007.0514 -148942.7974 300.0456 -177.1591 -144.9101 558665.1829 17.6698 17.8321 PRESSURE: 3833400 205.338 19.9636 200.499 19.9643 192.537 -59.0469 200.5 -59.0462 140.512 GPRESSURE: 3833400 218.745 2.05524 88.9228 -5.39887 241.56 -31.1106 134.808 -99.1548 187.881 PRESSAVG: 3833400 -8.38292 -3.82104 24.0704 -3.821 32.0452 68.6399 24.0704 68.6398 1.4666 GPRESSAVG: 3833400 -9.43865 -4.74802 22.9082 -1.28565 32.7002 68.5047 26.4318 67.9667 2.01578 TIMING: 3833400 CPU: 11400.5, 0.00295723/step Wall: 11400.5, 0.00295723/step, 0.958306 hours remaining, 208.304688 MB of memory in use. ENERGY: 3833400 741.7069 2104.2420 1900.3797 106.0308 -206334.2198 18200.7575 0.0000 0.0000 34240.3147 -149040.7883 299.0292 -183281.1029 -148940.2129 300.0535 179.4623 216.0622 557517.6013 8.3763 8.4258 PRESSURE: 3833600 17.8963 -78.3463 221.015 -78.3464 216.083 13.3214 221.014 13.3212 62.0137 GPRESSURE: 3833600 63.4221 -74.482 182.1 -129.577 204.875 7.78498 224.916 17.4445 123.991 PRESSAVG: 3833600 35.0268 7.66261 63.1664 7.66271 -15.5272 28.7259 63.1664 28.7259 17.9766 GPRESSAVG: 3833600 35.5779 9.02998 64.6108 6.33877 -15.9006 29.1674 61.7523 28.8177 18.1906 TIMING: 3833600 CPU: 11401, 0.00294067/step Wall: 11401, 0.00294067/step, 0.952777 hours remaining, 208.304688 MB of memory in use. ENERGY: 3833600 723.9801 2138.2716 1931.5788 121.6290 -205933.4132 17845.0799 0.0000 0.0000 34153.8961 -149018.9776 298.2745 -183172.8737 -148926.1000 299.6986 98.6643 130.7628 558667.9395 12.4921 12.6227 PRESSURE: 3833800 128.645 68.1877 69.3542 68.1874 -59.2185 118.699 69.3546 118.699 93.1064 GPRESSURE: 3833800 129.282 50.7593 57.83 43.8331 18.3234 76.9493 -5.15627 183.991 106.58 PRESSAVG: 3833800 -19.5949 -0.0184512 27.5868 -0.0184698 32.3624 39.3032 27.5868 39.3031 -43.3794 GPRESSAVG: 3833800 -19.8552 -1.07471 28.1909 0.344474 33.0272 38.7953 26.3459 39.1393 -44.0326 TIMING: 3833800 CPU: 11401.6, 0.00294949/step Wall: 11401.6, 0.00294949/step, 0.95547 hours remaining, 208.304688 MB of memory in use. ENERGY: 3833800 722.4018 2096.4728 1925.0897 114.7788 -206274.5121 17795.6792 0.0000 0.0000 34438.2344 -149181.8553 300.7577 -183620.0897 -149083.0846 300.1075 54.1778 84.7286 557289.0497 -10.2040 -10.2869 PRESSURE: 3834000 -0.252355 107.703 -42.3573 107.704 218.708 -151.21 -42.357 -151.211 -21.4825 GPRESSURE: 3834000 20.4094 131.242 24.3019 5.88178 276.357 -109.508 -130.272 -140.9 -2.54274 PRESSAVG: 3834000 -12.5245 -36.2755 -27.8751 -36.2755 17.0252 -68.2431 -27.8752 -68.243 18.8813 GPRESSAVG: 3834000 -12.5652 -36.7265 -29.7072 -37.1557 17.2718 -69.123 -27.9161 -68.0591 19.0644 TIMING: 3834000 CPU: 11402.2, 0.00295666/step Wall: 11402.2, 0.00295666/step, 0.957629 hours remaining, 208.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3834000 751.6005 2066.3103 1920.2938 122.3467 -206188.5539 17773.9403 0.0000 0.0000 34354.8270 -149199.2353 300.0292 -183554.0624 -149101.6471 299.7715 65.6579 98.0746 556746.8962 7.7940 7.9237 PRESSURE: 3834200 152.067 -115.4 73.9261 -115.399 71.7623 83.422 73.9275 83.4225 -111.347 GPRESSURE: 3834200 179.237 -130.823 84.2277 -41.0532 133.177 2.05587 97.5911 111.696 -81.3632 PRESSAVG: 3834200 7.09422 23.7379 4.87412 23.7378 38.5488 45.5134 4.87413 45.5135 -17.9562 GPRESSAVG: 3834200 8.28431 25.0081 7.34539 22.6451 38.8978 45.72 5.53808 44.9471 -18.8779 TIMING: 3834200 CPU: 11402.8, 0.00298092/step Wall: 11402.8, 0.00298092/step, 0.965323 hours remaining, 208.304688 MB of memory in use. ENERGY: 3834200 719.4748 2153.8356 1915.9890 107.9305 -206035.9313 17792.3208 0.0000 0.0000 34272.7260 -149073.6546 299.3122 -183346.3806 -148979.0428 299.5970 37.4940 77.0171 557603.9116 9.2290 9.4347 PRESSURE: 3834400 273.932 20.9509 239.074 20.9496 120.043 28.1331 239.073 28.134 246.498 GPRESSURE: 3834400 265.691 64.5513 109.967 -1.09687 186.129 20.1161 314.536 51.5097 278.642 PRESSAVG: 3834400 11.9248 28.0304 0.129862 28.0304 17.7205 -44.5346 0.129772 -44.5345 -67.06 GPRESSAVG: 3834400 10.7864 28.7467 -4.07113 28.2624 17.6076 -44.4174 1.9398 -44.2906 -66.0297 TIMING: 3834400 CPU: 11403.4, 0.00296454/step Wall: 11403.4, 0.00296454/step, 0.959852 hours remaining, 208.304688 MB of memory in use. ENERGY: 3834400 759.4683 2099.7681 1902.5426 107.0505 -206271.7608 18070.4113 0.0000 0.0000 34342.5154 -148990.0046 299.9217 -183332.5200 -148888.9434 300.3069 213.4907 243.4873 557218.0931 -12.4716 -12.5453 PRESSURE: 3834600 79.434 -33.501 47.0671 -33.5009 -29.5242 -35.9594 47.0671 -35.9595 13.4991 GPRESSURE: 3834600 113.546 7.07522 -12.9724 8.5957 4.92759 -13.4431 10.6344 -85.0614 48.5886 PRESSAVG: 3834600 -20.5077 -10.2097 34.7921 -10.2097 -31.5246 41.4253 34.792 41.4253 32.7859 GPRESSAVG: 3834600 -19.612 -12.6571 35.883 -8.69202 -31.2784 41.7374 34.9112 42.9505 31.328 TIMING: 3834600 CPU: 11404, 0.00293427/step Wall: 11404, 0.00293427/step, 0.949889 hours remaining, 208.304688 MB of memory in use. ENERGY: 3834600 757.5985 2090.0084 1933.3119 120.9869 -206355.9303 17994.1816 0.0000 0.0000 34257.5573 -149202.2857 299.1798 -183459.8431 -149098.9850 299.3688 21.1363 55.6876 557496.4270 -6.4154 -6.5208 PRESSURE: 3834800 -251.806 -8.98677 100.927 -8.98732 -315.675 34.8954 100.927 34.8945 -120.087 GPRESSURE: 3834800 -200.767 -38.3528 95.4407 26.0101 -323.694 70.8695 63.0091 -22.4151 -52.7246 PRESSAVG: 3834800 62.8609 -6.65212 34.157 -6.65211 -52.0107 -6.04301 34.1569 -6.04311 -28.3471 GPRESSAVG: 3834800 62.4467 -5.87424 36.4935 -6.45624 -52.2397 -5.25758 30.6333 -7.6896 -27.3371 TIMING: 3834800 CPU: 11404.6, 0.00292989/step Wall: 11404.6, 0.00292989/step, 0.948307 hours remaining, 208.304688 MB of memory in use. ENERGY: 3834800 772.3828 2093.8969 1917.3669 114.7318 -205822.7921 17476.6826 0.0000 0.0000 34211.8439 -149235.8871 298.7805 -183447.7310 -149137.8235 299.5353 -229.1894 -192.3951 556774.3851 -5.8323 -5.7100 PRESSURE: 3835000 -185.175 136.63 179.848 136.63 -115.422 90.3815 179.85 90.3815 43.8422 GPRESSURE: 3835000 -122.568 208.448 224.419 124.705 -62.8047 118.774 179 171.62 39.3874 PRESSAVG: 3835000 69.6817 43.9976 15.6696 43.9977 -24.4957 11.0169 15.6696 11.0169 -42.6808 GPRESSAVG: 3835000 70.2558 43.4084 15.151 43.8255 -25.2062 8.55423 16.8097 12.5261 -41.7877 TIMING: 3835000 CPU: 11405.2, 0.00294447/step Wall: 11405.2, 0.00294447/step, 0.952865 hours remaining, 208.304688 MB of memory in use. ENERGY: 3835000 774.3916 2116.6799 1945.8970 127.8150 -206350.0492 17769.0958 0.0000 0.0000 34305.7632 -149310.4066 299.6008 -183616.1698 -149209.6031 299.1435 -85.5850 -48.6617 555894.4253 0.8351 1.0873 PRESSURE: 3835200 -48.4822 6.07987 -100.921 6.08028 -130.461 -167.835 -100.922 -167.836 -180.719 GPRESSURE: 3835200 -14.7415 -59.8275 -150.138 24.6789 -106.761 -45.081 -101.154 -224.604 -142.95 PRESSAVG: 3835200 32.5733 22.0198 75.6436 22.0197 23.3012 16.0476 75.6437 16.0476 -34.7831 GPRESSAVG: 3835200 32.4456 21.7987 74.1983 23.0217 23.8331 17.7836 76.7348 16.603 -35.0576 TIMING: 3835200 CPU: 11405.8, 0.00296848/step Wall: 11405.8, 0.00296848/step, 0.960468 hours remaining, 208.304688 MB of memory in use. ENERGY: 3835200 770.1229 2084.6804 1947.8245 114.1174 -206119.3547 17711.8309 0.0000 0.0000 34228.5654 -149262.2132 298.9266 -183490.7786 -149164.8257 299.0108 -119.8875 -88.1507 556565.9185 7.0305 7.0737 PRESSURE: 3835400 -123.565 14.22 -81.948 14.2184 -15.3665 -116.62 -81.9497 -116.621 63.6128 GPRESSURE: 3835400 -80.7102 89.4505 -129.446 -19.0539 -85.2155 -65.4689 -14.7764 -90.5349 198.564 PRESSAVG: 3835400 6.92222 20.6289 2.68363 20.6288 -28.4394 -21.9906 2.68359 -21.9905 -28.8756 GPRESSAVG: 3835400 7.42189 21.5525 1.53053 17.1452 -28.0033 -24.3511 2.81859 -21.5513 -30.0962 TIMING: 3835400 CPU: 11406.4, 0.00298624/step Wall: 11406.4, 0.00298624/step, 0.966049 hours remaining, 208.304688 MB of memory in use. ENERGY: 3835400 773.0175 2083.0199 1900.9647 113.0326 -206456.5508 17761.4216 0.0000 0.0000 34422.4407 -149402.6539 300.6197 -183825.0946 -149305.5495 299.4129 -25.1064 10.8795 555133.1020 -16.7976 -16.8925 PRESSURE: 3835600 40.438 214.021 106.636 214.021 -65.5561 80.3914 106.636 80.3908 3.56803 GPRESSURE: 3835600 24.8984 170.77 131.467 166.642 -22.1972 99.904 33.7332 140.952 81.1849 PRESSAVG: 3835600 7.35214 41.7495 36.0772 41.7495 6.69667 4.69096 36.0772 4.69081 0.268014 GPRESSAVG: 3835600 7.89895 41.118 37.1845 42.5197 5.97332 7.98275 37.1019 4.64971 0.0992893 TIMING: 3835600 CPU: 11407, 0.00296291/step Wall: 11407, 0.00296291/step, 0.958336 hours remaining, 208.304688 MB of memory in use. ENERGY: 3835600 767.2129 2155.9901 1930.6233 96.7340 -206191.8155 17759.8712 0.0000 0.0000 34179.5478 -149301.8362 298.4985 -183481.3840 -149202.1769 299.7479 -7.1834 27.9620 556505.2362 4.7723 4.6572 PRESSURE: 3835800 -217.967 286.173 -69.936 286.174 -75.8766 91.435 -69.9359 91.4356 -39.509 GPRESSURE: 3835800 -163.03 233.954 -158.334 337.913 0.956306 96.3516 -20.2154 17.8796 -71.3564 PRESSAVG: 3835800 -21.9389 33.6754 40.8525 33.6754 69.4512 -17.6933 40.8525 -17.6934 -33.0837 GPRESSAVG: 3835800 -24.0604 34.4401 40.7531 33.4176 70.3176 -17.5745 41.6486 -18.1733 -32.4557 TIMING: 3835800 CPU: 11407.6, 0.00294938/step Wall: 11407.6, 0.00294938/step, 0.953796 hours remaining, 208.304688 MB of memory in use. ENERGY: 3835800 791.3165 2127.5592 1915.3750 106.7075 -206399.7799 17747.1971 0.0000 0.0000 34361.5725 -149350.0521 300.0882 -183711.6246 -149248.4530 299.5094 -111.1177 -77.8102 557641.5241 4.8095 4.6005 PRESSURE: 3836000 92.4424 -50.7766 15.5756 -50.7766 -116.767 167.458 15.5752 167.457 202.824 GPRESSURE: 3836000 125.266 -98.0764 -25.5627 38.054 -97.788 310.087 16.2145 41.5096 246.257 PRESSAVG: 3836000 -2.62953 -34.599 -54.0069 -34.5991 31.5961 -4.46584 -54.0069 -4.46581 -42.5219 GPRESSAVG: 3836000 -1.77528 -34.5895 -54.5468 -33.1368 29.7981 -4.67291 -53.4903 -6.54386 -41.6411 TIMING: 3836000 CPU: 11408.1, 0.00295934/step Wall: 11408.1, 0.00295934/step, 0.956853 hours remaining, 208.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3836000 712.0819 2142.0730 1928.7010 103.2585 -206288.5912 17799.1713 0.0000 0.0000 34357.2211 -149246.0844 300.0502 -183603.3056 -149148.3684 299.8259 59.4999 91.2448 556946.6309 -4.5184 -4.5394 PRESSURE: 3836200 189.411 126.376 63.8907 126.375 240.39 109.978 63.8912 109.979 153.439 GPRESSURE: 3836200 291.933 152.743 70.6446 99.5505 251.218 61.6045 106.278 83.0243 130.116 PRESSAVG: 3836200 -2.77734 -16.2136 45.8012 -16.2136 5.12918 -4.4823 45.8012 -4.48225 -10.5231 GPRESSAVG: 3836200 -1.64697 -15.4319 45.6686 -16.6282 4.22457 -3.94489 44.8495 -4.25658 -10.9257 TIMING: 3836200 CPU: 11408.7, 0.0029878/step Wall: 11408.7, 0.0029878/step, 0.965888 hours remaining, 208.304688 MB of memory in use. ENERGY: 3836200 699.8169 2163.0784 1933.1942 115.9244 -206460.1506 18092.1750 0.0000 0.0000 34267.4960 -149188.4658 299.2666 -183455.9618 -149094.4307 299.7919 194.4135 224.4221 557521.4061 -2.7237 -2.7827 LDB: ============= START OF LOAD BALANCING ============== 11412.3 LDB: ============== END OF LOAD BALANCING =============== 11412.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11412.3 LDB: ============= START OF LOAD BALANCING ============== 11412.6 LDB: Largest compute 4802 load 0.026795 is 22.7% of average load 0.118208 LDB: Average compute 0.001734 is 1.5% of average load 0.118208 LDB: TIME 11412.6 LOAD: AVG 0.118208 MAX 0.197181 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.883 MB LDB: TIME 11412.6 LOAD: AVG 0.118208 MAX 0.197181 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.086 MB LDB: TIME 11412.6 LOAD: AVG 0.118208 MAX 0.197181 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.086 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11412.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11412.6 PRESSURE: 3836400 51.8925 19.5035 -150.676 19.5037 -38.2225 181.819 -150.675 181.818 125.022 GPRESSURE: 3836400 121.682 -70.8225 -187.749 95.2506 -18.3647 242.793 -155.401 137.674 141.543 PRESSAVG: 3836400 70.5305 30.6673 9.67021 30.6672 -0.507089 -17.4612 9.6701 -17.4611 -11.9961 GPRESSAVG: 3836400 69.3354 29.1037 8.96778 29.8703 1.29143 -18.3656 9.16711 -15.0837 -12.7358 TIMING: 3836400 CPU: 11409.3, 0.00301677/step Wall: 11409.3, 0.00301677/step, 0.975088 hours remaining, 207.652344 MB of memory in use. ENERGY: 3836400 740.6937 2052.5100 1936.1149 108.4160 -206365.2912 17991.8666 0.0000 0.0000 34278.7256 -149256.9646 299.3646 -183535.6902 -149162.8220 299.4302 46.2306 81.6202 557467.4646 19.3424 19.2970 PRESSURE: 3836600 -79.9145 140.707 -1.49245 140.707 71.7757 61.2107 -1.49309 61.2089 190.125 GPRESSURE: 3836600 -13.2206 158.898 -44.3308 97.3302 113.103 -25.7006 3.41735 33.969 174.085 PRESSAVG: 3836600 8.99129 -15.6298 -7.31221 -15.6297 -13.0409 -13.9448 -7.31208 -13.9449 7.16619 GPRESSAVG: 3836600 9.53482 -13.1446 -5.54809 -16.1762 -13.8327 -12.9792 -7.74688 -14.5807 7.52004 TIMING: 3836600 CPU: 11409.9, 0.00297221/step Wall: 11409.9, 0.00297221/step, 0.96052 hours remaining, 207.652344 MB of memory in use. ENERGY: 3836600 739.2570 2134.1358 1932.7047 114.9706 -206205.9145 17846.2005 0.0000 0.0000 34247.6644 -149190.9816 299.0934 -183438.6460 -149097.8949 299.0714 60.6622 91.3226 557780.6619 1.0389 1.0741 PRESSURE: 3836800 -36.1045 -9.99729 -94.8897 -9.99817 67.4722 146.706 -94.8894 146.707 177.493 GPRESSURE: 3836800 0.593743 -51.3239 -6.98316 29.7588 79.4247 191.072 -111.768 126.981 233.357 PRESSAVG: 3836800 -12.5342 20.5729 -6.45589 20.5729 -15.8695 15.402 -6.45585 15.402 20.4172 GPRESSAVG: 3836800 -12.5336 20.4041 -7.70302 21.7145 -16.6049 13.7082 -5.84595 14.9335 20.9618 TIMING: 3836800 CPU: 11410.5, 0.0029427/step Wall: 11410.5, 0.0029427/step, 0.950818 hours remaining, 207.652344 MB of memory in use. ENERGY: 3836800 756.3224 2149.2266 1899.8368 119.1419 -206215.1846 17791.4854 0.0000 0.0000 34187.1764 -149311.9950 298.5651 -183499.1714 -149214.3382 299.0795 69.6201 104.4584 555902.2524 -2.6622 -2.7256 PRESSURE: 3837000 -34.594 43.6913 -79.6404 43.693 24.8878 -25.5482 -79.6399 -25.5484 -83.6236 GPRESSURE: 3837000 10.3543 24.802 -47.7349 73.0288 97.9602 -26.7426 -92.1614 -73.345 -103.966 PRESSAVG: 3837000 11.2428 71.0176 -44.1486 71.0176 -13.2881 -45.2916 -44.1486 -45.2916 7.99906 GPRESSAVG: 3837000 10.4335 68.9117 -43.9771 71.1761 -12.3589 -45.307 -43.0666 -44.8821 8.27919 TIMING: 3837000 CPU: 11411.1, 0.0029779/step Wall: 11411.1, 0.0029779/step, 0.962026 hours remaining, 207.652344 MB of memory in use. ENERGY: 3837000 722.7010 2131.7052 1921.9197 109.9991 -206210.4232 17721.4835 0.0000 0.0000 34339.9856 -149262.6291 299.8996 -183602.6146 -149171.4239 299.4884 -31.1099 1.4496 557450.8657 1.9846 2.1179 PRESSURE: 3837200 232.13 -18.5739 -79.959 -18.5747 -6.34897 84.4199 -79.9584 84.4219 -87.1374 GPRESSURE: 3837200 237.147 -0.149351 -90.7848 -32.2613 21.3272 64.6306 -36.0181 26.7059 -28.4585 PRESSAVG: 3837200 13.9715 -10.608 -25.5083 -10.6079 8.66005 12.846 -25.5082 12.8461 0.937659 GPRESSAVG: 3837200 14.5379 -10.0853 -23.7913 -9.91705 8.69068 13.8288 -26.0214 13.0223 0.948269 TIMING: 3837200 CPU: 11411.7, 0.00299787/step Wall: 11411.7, 0.00299787/step, 0.968311 hours remaining, 207.652344 MB of memory in use. ENERGY: 3837200 711.4188 2070.0158 1948.0274 128.3959 -206104.6556 17972.3875 0.0000 0.0000 34166.4823 -149107.9279 298.3844 -183274.4102 -149010.8498 299.3858 46.2145 76.6719 558005.4436 7.8564 8.0589 PRESSURE: 3837400 -18.2671 190.823 16.5558 190.823 -314.181 106.239 16.5562 106.239 9.8562 GPRESSURE: 3837400 -8.26994 227.427 -1.36246 177.554 -247.549 94.2294 -20.0198 143.641 30.0956 PRESSAVG: 3837400 -21.4703 107.35 -76.6949 107.35 -23.1538 75.3026 -76.6949 75.3027 47.1402 GPRESSAVG: 3837400 -21.107 106.04 -77.2898 108.415 -22.773 75.1513 -77.948 75.1885 46.4299 TIMING: 3837400 CPU: 11412.3, 0.00296992/step Wall: 11412.3, 0.00296992/step, 0.959119 hours remaining, 207.652344 MB of memory in use. ENERGY: 3837400 750.2477 2097.4672 1909.2168 109.1234 -205639.5578 17463.8461 0.0000 0.0000 34235.6176 -149074.0389 298.9882 -183309.6565 -148976.5129 299.8530 -107.5306 -75.2410 557222.2657 0.8387 0.8500 PRESSURE: 3837600 -224.461 79.4655 -112.958 79.4637 -138.516 75.1434 -112.958 75.1438 -331.453 GPRESSURE: 3837600 -211.249 49.2161 -132.715 37.4714 -92.2756 79.9661 -50.0624 76.1426 -293.471 PRESSAVG: 3837600 -2.74513 79.4111 -4.78884 79.4112 -12.5693 17.1033 -4.78874 17.1032 -25.9453 GPRESSAVG: 3837600 -3.6324 77.0126 -4.42172 80.3532 -11.6981 17.0576 -6.53742 17.2214 -26.6099 TIMING: 3837600 CPU: 11412.9, 0.00295567/step Wall: 11412.9, 0.00295567/step, 0.954352 hours remaining, 207.652344 MB of memory in use. ENERGY: 3837600 793.8883 2105.3454 1901.7495 123.7927 -205955.4856 17518.1805 0.0000 0.0000 34309.9720 -149202.5574 299.6375 -183512.5294 -149108.2085 299.6683 -231.4765 -198.9983 558451.9462 -13.7532 -13.9801 PRESSURE: 3837800 188.727 -181.821 84.2347 -181.822 288.305 -83.6643 84.235 -83.6656 84.7982 GPRESSURE: 3837800 226.219 -180.045 42.411 -103.206 315.95 -169.783 81.0755 16.0931 127.982 PRESSAVG: 3837800 -43.5513 36.4949 25.4399 36.4949 99.7004 12.148 25.4399 12.1479 -24.114 GPRESSAVG: 3837800 -43.3063 41.1762 25.1327 32.6456 97.7345 12.7265 27.8886 14.402 -22.8223 TIMING: 3837800 CPU: 11413.5, 0.0029519/step Wall: 11413.5, 0.0029519/step, 0.952971 hours remaining, 207.652344 MB of memory in use. ENERGY: 3837800 763.9009 2075.6944 1923.4496 119.8180 -206171.0828 17961.1798 0.0000 0.0000 34202.0629 -149124.9772 298.6951 -183327.0401 -149037.3858 299.3506 187.2767 223.3834 556048.6153 10.6784 10.5353 PRESSURE: 3838000 -93.3612 -158.441 141.256 -158.44 143.77 98.3202 141.255 98.3197 -237.096 GPRESSURE: 3838000 -45.627 -210.472 135.967 -217.366 142.726 92.4681 132.314 96.5051 -183.341 PRESSAVG: 3838000 -19.9277 29.3379 -17.8137 29.3379 -12.2898 -7.21644 -17.8136 -7.21638 17.8091 GPRESSAVG: 3838000 -20.1586 30.0781 -16.2565 28.4284 -11.2435 -8.70951 -19.9428 -8.43454 17.1482 TIMING: 3838000 CPU: 11414.1, 0.00294492/step Wall: 11414.1, 0.00294492/step, 0.950556 hours remaining, 207.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3838000 747.1839 2097.8369 1923.5902 112.1224 -206245.5210 17700.9598 0.0000 0.0000 34459.9027 -149203.9250 300.9469 -183663.8277 -149106.4395 299.3256 -62.2292 -28.7473 556283.3729 -4.8028 -4.7513 PRESSURE: 3838200 61.2933 -9.31403 161.45 -9.31424 -133.655 18.0673 161.45 18.0677 -64.0486 GPRESSURE: 3838200 101.424 -0.0481039 185.437 19.4921 -84.4639 -26.8132 218.813 40.0727 -53.0947 PRESSAVG: 3838200 28.501 18.8723 -18.1551 18.8723 6.7627 -7.55882 -18.1552 -7.55885 8.83015 GPRESSAVG: 3838200 28.6543 16.8365 -18.6166 21.0337 6.02839 -5.59599 -16.528 -8.08841 8.91929 TIMING: 3838200 CPU: 11414.7, 0.00295725/step Wall: 11414.7, 0.00295725/step, 0.95437 hours remaining, 207.652344 MB of memory in use. ENERGY: 3838200 792.6789 2114.3633 1927.5758 122.4871 -206137.2326 17810.5525 0.0000 0.0000 34231.8379 -149137.7371 298.9552 -183369.5750 -149035.3393 300.1220 -45.4701 -12.0449 557125.4802 14.6980 14.5340 PRESSURE: 3838400 -198.485 62.4079 -122.283 62.4082 -357.636 -40.0752 -122.283 -40.0744 -396.963 GPRESSURE: 3838400 -207.39 61.7308 -96.6776 86.261 -295.999 5.95741 -86.8828 -97.5652 -356.721 PRESSAVG: 3838400 -5.02057 52.6604 -10.8315 52.6604 -22.2497 -32.0233 -10.8315 -32.0233 -21.2916 GPRESSAVG: 3838400 -3.48413 53.8614 -11.8482 52.6504 -22.9597 -31.9453 -10.4535 -31.7132 -21.7437 TIMING: 3838400 CPU: 11415.3, 0.00296951/step Wall: 11415.3, 0.00296951/step, 0.958161 hours remaining, 207.652344 MB of memory in use. ENERGY: 3838400 778.9366 2150.4200 1900.6804 106.6799 -205761.0105 17494.2266 0.0000 0.0000 34335.1978 -148994.8693 299.8578 -183330.0671 -148896.9067 300.2651 -317.6947 -286.7032 560008.1811 -16.1873 -16.0625 PRESSURE: 3838600 -321.645 -13.5466 58.431 -13.5466 -183.68 -96.8996 58.4318 -96.8996 -184.193 GPRESSURE: 3838600 -268.509 -16.3011 120.222 -45.6075 -141.692 -46.0376 18.2498 -89.2203 -168.151 PRESSAVG: 3838600 -2.66559 6.06073 -14.3103 6.06079 37.6465 36.1289 -14.3103 36.1289 -25.2996 GPRESSAVG: 3838600 -3.17113 5.86666 -16.3803 4.96843 38.6612 36.3435 -13.6753 35.5926 -25.4313 TIMING: 3838600 CPU: 11415.9, 0.00298931/step Wall: 11415.9, 0.00298931/step, 0.964385 hours remaining, 207.652344 MB of memory in use. ENERGY: 3838600 768.5749 2140.5507 1912.3362 108.2669 -205719.5669 17603.8757 0.0000 0.0000 34160.0956 -149025.8669 298.3286 -183185.9624 -148930.5325 299.6130 -229.8391 -192.7839 558991.6549 3.2271 3.3529 PRESSURE: 3838800 170.65 -59.1418 -222.158 -59.1407 -91.336 150.216 -222.157 150.215 -61.7239 GPRESSURE: 3838800 148.76 -140.783 -241.664 -1.28353 -7.80805 181.576 -208.985 101.003 -25.649 PRESSAVG: 3838800 -6.9366 -28.8353 -18.1396 -28.8353 30.0977 2.87287 -18.1396 2.87285 -3.86053 GPRESSAVG: 3838800 -7.32578 -31.6786 -15.4776 -26.4267 30.3111 1.27896 -18.0181 3.75351 -4.08533 TIMING: 3838800 CPU: 11416.5, 0.00294515/step Wall: 11416.5, 0.00294515/step, 0.949975 hours remaining, 207.652344 MB of memory in use. ENERGY: 3838800 754.1967 2103.1796 1915.3489 114.6456 -206162.8536 17998.7454 0.0000 0.0000 34259.0356 -149017.7018 299.1927 -183276.7373 -148923.3271 299.9323 5.8634 38.4345 557835.6103 6.4335 6.3000 PRESSURE: 3839000 -66.5082 -63.926 -140.453 -63.9253 -38.1794 31.5536 -140.453 31.5528 -251.004 GPRESSURE: 3839000 -27.5714 -13.1749 -151.819 -121.319 -101.646 12.6147 -191.628 87.9622 -131.703 PRESSAVG: 3839000 -40.2506 -21.9763 -28.1165 -21.9763 -0.303133 -20.6852 -28.1165 -20.6852 -38.9325 GPRESSAVG: 3839000 -40.4245 -22.4052 -26.7491 -21.4594 -1.8345 -19.6058 -30.5936 -20.7189 -37.4206 TIMING: 3839000 CPU: 11417, 0.00293734/step Wall: 11417, 0.00293734/step, 0.947291 hours remaining, 207.652344 MB of memory in use. ENERGY: 3839000 732.6347 2141.7067 1930.5831 114.5734 -206015.9240 17526.7622 0.0000 0.0000 34422.3939 -149147.2699 300.6193 -183569.6638 -149057.1557 299.5226 -118.5637 -86.9734 556909.7896 -26.4954 -26.5598 PRESSURE: 3839200 -5.35219 2.12659 3.58909 2.12784 -68.1607 -60.167 3.58943 -60.1674 133.99 GPRESSURE: 3839200 30.3235 -15.9111 39.9578 34.2515 -83.5209 -58.938 -60.9834 -7.38026 204.975 PRESSAVG: 3839200 17.3312 6.82961 -68.9483 6.8295 -25.2766 36.4088 -68.9483 36.4088 35.2304 GPRESSAVG: 3839200 17.1092 8.57322 -69.8358 5.63061 -25.691 35.7092 -68.7766 36.9098 34.9447 TIMING: 3839200 CPU: 11417.6, 0.0029452/step Wall: 11417.6, 0.0029452/step, 0.949664 hours remaining, 207.652344 MB of memory in use. ENERGY: 3839200 757.0345 2143.6249 1906.4834 115.7223 -206110.6733 17857.1001 0.0000 0.0000 34180.6518 -149150.0564 298.5081 -183330.7082 -149052.0358 299.7455 20.1591 50.5925 557141.3842 9.0950 8.7876 PRESSURE: 3839400 116.437 171.637 -47.2714 171.637 52.3064 3.40594 -47.2711 3.40676 105.987 GPRESSURE: 3839400 144.371 116.692 -12.9931 265.629 113.287 15.9036 16.5511 15.4922 130.964 PRESSAVG: 3839400 -33.2781 9.75999 -6.10918 9.75998 12.4435 -17.142 -6.1092 -17.142 -35.6346 GPRESSAVG: 3839400 -33.2284 11.7425 -5.1614 8.92445 13.589 -17.5657 -4.93452 -15.3982 -36.6256 TIMING: 3839400 CPU: 11418.2, 0.00296167/step Wall: 11418.2, 0.00296167/step, 0.954809 hours remaining, 207.652344 MB of memory in use. ENERGY: 3839400 735.5278 2050.5714 1922.0232 119.7102 -206433.9558 18055.5382 0.0000 0.0000 34306.0792 -149244.5058 299.6035 -183550.5851 -149147.3465 299.6652 91.5767 129.5409 558327.1434 -18.8231 -18.7550 PRESSURE: 3839600 92.7946 -1.804 61.5748 -1.80369 -228.081 -2.67322 61.575 -2.67214 118.279 GPRESSURE: 3839600 99.6303 33.7396 -44.6816 -73.8715 -174.364 19.441 88.528 -28.895 168.253 PRESSAVG: 3839600 46.1828 -82.3298 8.45518 -82.3297 -8.26647 -32.5622 8.45524 -32.5622 6.86976 GPRESSAVG: 3839600 46.2425 -82.6911 7.90285 -81.7738 -8.67539 -30.6682 8.07991 -34.291 7.14633 TIMING: 3839600 CPU: 11418.8, 0.00295724/step Wall: 11418.8, 0.00295724/step, 0.953216 hours remaining, 207.652344 MB of memory in use. ENERGY: 3839600 775.3828 2066.0000 1918.3908 127.4808 -206002.3332 17731.3852 0.0000 0.0000 34384.2639 -148999.4296 300.2863 -183383.6935 -148909.2732 299.2584 -5.6691 31.1729 557970.7130 14.9287 14.9045 PRESSURE: 3839800 -129.35 123.692 0.0293591 123.693 -212.925 77.918 0.029523 77.9173 -169.685 GPRESSURE: 3839800 -69.1508 174.12 -13.4303 40.6829 -188.273 48.0831 21.4213 67.1378 -163.535 PRESSAVG: 3839800 -13.5867 -40.1682 20.8167 -40.1681 -24.4984 -36.4071 20.8166 -36.407 22.7488 GPRESSAVG: 3839800 -13.8159 -41.6229 20.1302 -40.4012 -24.8186 -38.5709 20.6983 -35.8611 22.8978 TIMING: 3839800 CPU: 11419.4, 0.00294497/step Wall: 11419.4, 0.00294497/step, 0.949099 hours remaining, 207.652344 MB of memory in use. ENERGY: 3839800 769.3030 2066.8343 1901.3081 120.2562 -205359.4371 17369.6862 0.0000 0.0000 34123.6941 -149008.3552 298.0107 -183132.0492 -148904.9144 299.8114 -170.6533 -140.3197 558302.5268 -5.1121 -5.2456 PRESSURE: 3840000 -135.329 109.981 109.69 109.981 -221.152 -76.2275 109.69 -76.2275 -205.601 GPRESSURE: 3840000 -116.186 69.9468 123.933 132.03 -162.08 -89.4613 45.5851 -43.6872 -173.723 PRESSAVG: 3840000 23.2726 -54.553 55.3909 -54.5531 -21.9955 30.3827 55.3909 30.3828 37.8969 GPRESSAVG: 3840000 22.8238 -56.0291 54.3639 -52.8511 -21.7592 33.3117 55.9379 30.1357 38.4421 TIMING: 3840000 CPU: 11420, 0.0029489/step Wall: 11420, 0.0029489/step, 0.950202 hours remaining, 207.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3840000 744.3476 2071.0550 1926.4381 125.3273 -205505.1163 17570.0075 0.0000 0.0000 34060.1164 -149007.8244 297.4555 -183067.9407 -148913.1105 299.4440 -187.3604 -150.6630 558341.7234 13.0580 13.1689 PRESSURE: 3840200 261.481 -61.708 -20.5879 -61.7091 182.822 6.59263 -20.5874 6.59299 34.5437 GPRESSURE: 3840200 283.977 -29.4302 95.4546 -16.2678 202.257 42.9502 -106.078 35.9643 70.146 PRESSAVG: 3840200 43.1755 -35.5684 67.5802 -35.5684 6.40373 -53.1057 67.5802 -53.1058 -58.2589 GPRESSAVG: 3840200 41.9619 -33.9787 68.9718 -37.1827 6.99265 -54.5576 66.0478 -51.7201 -57.3627 TIMING: 3840200 CPU: 11420.6, 0.00294084/step Wall: 11420.6, 0.00294084/step, 0.94744 hours remaining, 207.652344 MB of memory in use. ENERGY: 3840200 748.2131 2110.0856 1914.1012 105.6271 -206185.5343 17861.7483 0.0000 0.0000 34428.5246 -149017.2343 300.6729 -183445.7589 -148916.2098 299.3047 159.6154 185.4600 558270.2246 -2.8932 -2.8027 LDB: ============= START OF LOAD BALANCING ============== 11424.1 LDB: ============== END OF LOAD BALANCING =============== 11424.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11424.1 LDB: ============= START OF LOAD BALANCING ============== 11424.4 LDB: Largest compute 4802 load 0.023597 is 20.0% of average load 0.118208 LDB: Average compute 0.001733 is 1.5% of average load 0.118208 LDB: TIME 11424.4 LOAD: AVG 0.118208 MAX 0.198104 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.691 MB LDB: TIME 11424.4 LOAD: AVG 0.118208 MAX 0.198104 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.695 MB LDB: TIME 11424.4 LOAD: AVG 0.118208 MAX 0.198104 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.695 MB LDB: ============== END OF LOAD BALANCING =============== 11424.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11424.4 PRESSURE: 3840400 58.8167 -18.1441 -3.40379 -18.1442 -54.0205 -213.677 -3.4043 -213.679 -30.2658 GPRESSURE: 3840400 132.612 -20.2442 66.0508 21.9643 -40.7743 -303.127 -15.567 -132.533 -9.33249 PRESSAVG: 3840400 -22.8872 -2.28329 -5.42639 -2.28328 9.34412 -28.8018 -5.4263 -28.8018 15.5384 GPRESSAVG: 3840400 -21.1463 -1.01761 -7.34644 -4.19475 8.70338 -27.0609 -2.06154 -29.6693 14.1068 TIMING: 3840400 CPU: 11421.2, 0.00301415/step Wall: 11421.2, 0.00301415/step, 0.97089 hours remaining, 207.953125 MB of memory in use. ENERGY: 3840400 750.2387 2038.2918 1891.4999 111.7090 -206255.2381 18034.5803 0.0000 0.0000 34519.1238 -148909.7947 301.4641 -183428.9185 -148808.4453 299.5827 -8.4899 27.5017 559978.2852 0.6651 0.5546 PRESSURE: 3840600 72.5812 -89.5071 151.205 -89.5065 110.397 -162.184 151.206 -162.185 227.396 GPRESSURE: 3840600 61.3002 -158.086 110.922 -57.3864 149.275 -149.485 177.366 -134.265 279.326 PRESSAVG: 3840600 -7.62568 -34.2117 9.89856 -34.2118 -18.2441 -25.8634 9.8986 -25.8635 1.70343 GPRESSAVG: 3840600 -8.04268 -35.9964 10.6582 -33.0498 -17.8875 -28.9089 8.04481 -25.43 1.84803 TIMING: 3840600 CPU: 11421.8, 0.0029808/step Wall: 11421.8, 0.0029808/step, 0.959985 hours remaining, 208.191406 MB of memory in use. ENERGY: 3840600 726.9570 2123.4637 1937.0909 111.0080 -206024.4873 17803.8390 0.0000 0.0000 34320.9241 -149001.2045 299.7332 -183322.1286 -148910.9662 299.6868 136.7913 163.3005 557543.4956 -8.0555 -8.0274 PRESSURE: 3840800 -51.9925 77.8183 104.834 77.8185 110.252 -47.4487 104.835 -47.4481 -202.7 GPRESSURE: 3840800 20.0343 104.815 168.22 -36.0614 88.6389 -50.4237 242.012 -63.9496 -163.256 PRESSAVG: 3840800 -39.662 -64.733 6.95821 -64.733 32.4428 -10.2136 6.95834 -10.2136 15.1482 GPRESSAVG: 3840800 -40.4326 -64.6291 7.89718 -64.683 31.417 -9.76945 6.23235 -9.01791 16.3379 TIMING: 3840800 CPU: 11422.4, 0.00295338/step Wall: 11422.4, 0.00295338/step, 0.950988 hours remaining, 208.191406 MB of memory in use. ENERGY: 3840800 757.0970 2059.8184 1933.0666 121.6902 -206057.0147 17904.1792 0.0000 0.0000 34332.1557 -148949.0075 299.8313 -183281.1632 -148855.5454 299.5073 -48.1468 -18.1944 560519.2297 2.6430 2.4408 PRESSURE: 3841000 185.26 178.684 90.7537 178.685 169.002 48.1779 90.7532 48.1763 250.328 GPRESSURE: 3841000 218.358 114.505 13.6694 171.753 262.418 5.87901 99.8809 138.14 228.844 PRESSAVG: 3841000 -78.9142 -35.8322 0.539931 -35.8322 16.4978 -103.075 0.539897 -103.075 12.5293 GPRESSAVG: 3841000 -78.1339 -36.1357 -1.27148 -34.7192 16.7326 -102.614 1.75496 -102.579 11.4316 TIMING: 3841000 CPU: 11423, 0.00293819/step Wall: 11423, 0.00293819/step, 0.945934 hours remaining, 208.191406 MB of memory in use. ENERGY: 3841000 769.7713 2111.5154 1944.0094 114.9388 -206471.9522 18284.8621 0.0000 0.0000 34249.0042 -148997.8510 299.1051 -183246.8552 -148907.8735 299.8480 201.5303 236.5398 557869.8502 -16.6291 -16.6566 PRESSURE: 3841200 115.095 110.399 -24.0898 110.399 100.91 -77.8165 -24.0896 -77.8173 97.2128 GPRESSURE: 3841200 95.2064 155.603 -73.5702 82.6037 137.989 -79.6966 -61.65 6.32631 176.449 PRESSAVG: 3841200 -37.9849 10.5548 7.61632 10.5548 23.9974 -56.5902 7.61647 -56.5901 38.1853 GPRESSAVG: 3841200 -38.0023 11.4869 8.34985 9.15292 23.1857 -55.3952 7.29479 -58.7461 38.9109 TIMING: 3841200 CPU: 11423.6, 0.00293138/step Wall: 11423.6, 0.00293138/step, 0.943578 hours remaining, 208.191406 MB of memory in use. ENERGY: 3841200 747.2470 2061.0334 1934.4528 118.6624 -206154.0466 17941.8595 0.0000 0.0000 34271.4773 -149079.3141 299.3013 -183350.7914 -148979.7502 300.1613 104.4060 136.5483 556890.6646 8.0660 8.0314 PRESSURE: 3841400 422.226 85.703 -84.0503 85.703 188.669 -33.5552 -84.0516 -33.5567 -77.2894 GPRESSURE: 3841400 372.098 48.2597 -149.369 84.168 269.135 41.4504 3.16117 -107.324 -21.8604 PRESSAVG: 3841400 15.5422 -26.9088 -63.7341 -26.9088 -49.1191 -70.084 -63.7341 -70.0841 3.70405 GPRESSAVG: 3841400 13.8763 -27.4675 -63.4273 -24.4556 -47.9541 -69.3977 -63.4577 -69.5584 4.04416 TIMING: 3841400 CPU: 11424.1, 0.00293744/step Wall: 11424.1, 0.00293744/step, 0.945368 hours remaining, 208.191406 MB of memory in use. ENERGY: 3841400 747.4761 2110.1456 1914.0449 102.9217 -206450.6809 18190.7736 0.0000 0.0000 34323.4337 -149061.8854 299.7551 -183385.3191 -148967.7631 299.4457 177.8684 206.4575 556889.2575 -9.9576 -10.0112 PRESSURE: 3841600 -129.097 -105.172 -20.1388 -105.17 -22.6374 70.1626 -20.1378 70.1622 4.01575 GPRESSURE: 3841600 -82.8146 -140.745 -39.7873 22.4951 -26.5536 78.4604 33.5425 18.8406 68.8907 PRESSAVG: 3841600 39.3044 23.3634 -32.7047 23.3633 27.7452 -14.8926 -32.7046 -14.8926 -68.0338 GPRESSAVG: 3841600 40.7061 22.6953 -31.7173 22.0227 27.6677 -14.2789 -33.4008 -17.1075 -69.6128 TIMING: 3841600 CPU: 11424.7, 0.00294451/step Wall: 11424.7, 0.00294451/step, 0.947478 hours remaining, 208.191406 MB of memory in use. ENERGY: 3841600 790.1458 2156.2279 1897.5171 112.8409 -206100.5593 17729.9847 0.0000 0.0000 34423.0550 -148990.7879 300.6251 -183413.8430 -148887.5945 299.6586 -49.2396 -13.4925 557869.3862 -0.3281 -0.4130 PRESSURE: 3841800 -18.7321 -19.3403 10.4611 -19.3414 -48.5818 -45.4849 10.461 -45.4848 -212.175 GPRESSURE: 3841800 66.2266 -82.5369 8.83109 45.8356 -82.3741 -17.2288 -11.2801 -54.9422 -157.53 PRESSAVG: 3841800 -10.0798 72.3856 5.13878 72.3856 -29.8797 22.8606 5.13877 22.8606 72.4406 GPRESSAVG: 3841800 -10.6859 72.2107 5.89004 72.9393 -30.6652 21.4133 3.70218 23.4727 73.7201 TIMING: 3841800 CPU: 11425.3, 0.00295127/step Wall: 11425.3, 0.00295127/step, 0.949488 hours remaining, 208.191406 MB of memory in use. ENERGY: 3841800 758.6333 2105.8049 1945.1820 111.7139 -206073.1158 17710.3316 0.0000 0.0000 34480.5933 -148960.8568 301.1276 -183441.4501 -148868.0141 300.0530 -93.1630 -57.8925 558782.5343 10.8270 10.7897 PRESSURE: 3842000 -232.508 85.4656 -150.287 85.4651 -148.422 26.1731 -150.286 26.1739 7.80024 GPRESSURE: 3842000 -228.718 122.911 -71.8223 148.151 -64.0038 103.622 -175.241 45.5839 15.6775 PRESSAVG: 3842000 2.5697 -1.53654 2.85384 -1.53661 -9.66537 52.6768 2.85386 52.6769 -13.7675 GPRESSAVG: 3842000 2.56023 -1.31634 1.90218 -0.970032 -9.77091 52.0256 3.4787 54.2313 -14.1566 TIMING: 3842000 CPU: 11425.9, 0.00293985/step Wall: 11425.9, 0.00293985/step, 0.945652 hours remaining, 208.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3842000 737.4960 2086.0445 1917.2148 120.5007 -205920.3739 17746.8596 0.0000 0.0000 34397.9732 -148914.2851 300.4061 -183312.2583 -148821.5719 299.7462 -124.3767 -92.3480 558801.4423 -6.9544 -7.1224 PRESSURE: 3842200 -319.218 42.4335 63.2133 42.4331 -65.6921 21.9835 63.2127 21.9831 -210.223 GPRESSURE: 3842200 -311.785 87.0646 -17.0253 33.2442 2.01435 14.4424 84.9891 -22.9532 -174.886 PRESSAVG: 3842200 -26.6117 -19.9121 16.6157 -19.9121 36.0403 63.7959 16.6157 63.7958 -18.6727 GPRESSAVG: 3842200 -25.8007 -17.6298 16.7952 -20.0394 35.6236 64.7694 17.146 61.6516 -18.695 TIMING: 3842200 CPU: 11426.5, 0.00292797/step Wall: 11426.5, 0.00292797/step, 0.941667 hours remaining, 208.191406 MB of memory in use. ENERGY: 3842200 773.4615 2031.4516 1937.3548 100.0173 -205469.1728 17618.5761 0.0000 0.0000 34198.7280 -148809.5834 298.6660 -183008.3115 -148710.3691 299.9226 -198.3779 -161.5520 559904.8725 -3.0814 -2.9574 PRESSURE: 3842400 254.387 149.004 -42.149 149.005 118.146 138.524 -42.1477 138.523 -61.8575 GPRESSURE: 3842400 251.082 134.522 -84.3329 186.855 205.337 161.272 33.9222 155.417 -57.8062 PRESSAVG: 3842400 2.05069 -5.04673 33.7032 -5.04678 5.38778 9.75733 33.7032 9.75726 -16.9403 GPRESSAVG: 3842400 1.06194 -6.30987 34.3526 -6.58774 5.97202 8.88334 33.5886 10.9954 -16.6501 TIMING: 3842400 CPU: 11427.1, 0.00293681/step Wall: 11427.1, 0.00293681/step, 0.944347 hours remaining, 208.191406 MB of memory in use. ENERGY: 3842400 747.3353 2110.3979 1921.5438 111.8846 -205812.7340 17828.3106 0.0000 0.0000 34300.5022 -148792.7595 299.5548 -183093.2617 -148695.6926 300.3155 103.5587 132.8707 559339.2678 -3.1673 -3.2054 PRESSURE: 3842600 -208.915 -42.001 -167.035 -42.0001 165.798 95.0492 -167.036 95.0492 -24.0162 GPRESSURE: 3842600 -90.1888 -74.9045 -127.598 -121.949 201.782 50.5551 -119.13 208.17 -75.0076 PRESSAVG: 3842600 21.6414 3.99646 -36.2558 3.99643 73.8093 53.2358 -36.2558 53.2358 -34.0057 GPRESSAVG: 3842600 22.3321 2.5409 -36.4392 6.88371 73.1549 52.8138 -37.0127 53.6762 -34.1164 TIMING: 3842600 CPU: 11427.7, 0.00294103/step Wall: 11427.7, 0.00294103/step, 0.945541 hours remaining, 208.191406 MB of memory in use. ENERGY: 3842600 719.5904 2078.3675 1914.8170 108.5032 -205786.7284 17808.8514 0.0000 0.0000 34230.1338 -148926.4651 298.9403 -183156.5989 -148826.4394 300.9186 -22.3777 12.1952 559713.5605 20.4817 20.4568 PRESSURE: 3842800 6.19007 52.9581 -181.245 52.9579 -64.9022 3.10836 -181.244 3.10702 16.8074 GPRESSURE: 3842800 -29.6924 -8.27676 -209.506 33.9644 -35.7502 -60.0043 -126.503 81.7011 115.017 PRESSAVG: 3842800 -7.6118 -5.84452 31.2866 -5.84459 42.4352 -6.00951 31.2867 -6.00952 -69.5455 GPRESSAVG: 3842800 -7.88174 -7.88296 29.0879 -5.54025 42.7684 -5.87919 32.1247 -5.35337 -69.6046 TIMING: 3842800 CPU: 11428.3, 0.00292937/step Wall: 11428.3, 0.00292937/step, 0.941628 hours remaining, 208.191406 MB of memory in use. ENERGY: 3842800 773.7388 2068.1002 1941.3702 123.9938 -206015.8713 17830.2413 0.0000 0.0000 34289.2473 -148989.1797 299.4565 -183278.4271 -148897.0327 300.3704 -13.9683 16.5249 559135.8238 -11.5740 -11.5726 PRESSURE: 3843000 -260.807 80.8186 46.6302 80.8192 -128.286 -208.989 46.6294 -208.988 -255.073 GPRESSURE: 3843000 -228.873 -5.03158 16.3077 77.5048 -145.016 -224.181 92.3157 -148.236 -165.16 PRESSAVG: 3843000 -44.607 -24.6687 14.546 -24.6687 38.5434 -75.3406 14.5461 -75.3407 7.72078 GPRESSAVG: 3843000 -45.7673 -22.1304 14.6245 -26.9065 39.3463 -75.4091 14.9636 -76.9744 8.43916 TIMING: 3843000 CPU: 11428.8, 0.00291773/step Wall: 11428.8, 0.00291773/step, 0.937728 hours remaining, 208.191406 MB of memory in use. ENERGY: 3843000 727.5051 2127.7227 1918.8216 115.8321 -205971.4507 17570.2419 0.0000 0.0000 34665.0845 -148846.2428 302.7388 -183511.3273 -148750.5898 300.5385 -214.7222 -179.6833 559980.4081 0.5524 0.6727 PRESSURE: 3843200 34.8021 3.37261 166.836 3.37445 16.5038 34.1757 166.837 34.1748 129.87 GPRESSURE: 3843200 43.4269 22.8992 155.332 -17.4787 26.8618 25.6089 220.091 92.0054 200.013 PRESSAVG: 3843200 -30.2472 20.675 49.6407 20.675 -7.29043 10.3935 49.6406 10.3934 39.6479 GPRESSAVG: 3843200 -28.4469 19.9789 48.4893 19.7977 -7.93813 9.57493 50.9953 10.955 38.4141 TIMING: 3843200 CPU: 11429.4, 0.00291486/step Wall: 11429.4, 0.00291486/step, 0.936641 hours remaining, 208.191406 MB of memory in use. ENERGY: 3843200 756.4141 2091.4324 1919.5738 108.6716 -206145.8639 18032.3530 0.0000 0.0000 34318.8697 -148918.5493 299.7152 -183237.4190 -148816.3646 299.9125 60.3919 90.1007 558603.1879 0.7034 0.6764 PRESSURE: 3843400 -126.231 73.0056 41.1188 73.0051 205.986 -41.2549 41.1201 -41.2554 -120.969 GPRESSURE: 3843400 -117.524 163.594 68.3414 79.2215 245.666 16.2311 -78.3999 -138.286 -85.2199 PRESSAVG: 3843400 35.4074 -47.187 -24.6713 -47.1871 -9.79883 -18.1333 -24.6712 -18.1332 -16.9042 GPRESSAVG: 3843400 34.643 -46.8543 -21.6673 -46.2461 -9.81745 -17.9364 -26.2182 -17.6378 -16.7078 TIMING: 3843400 CPU: 11430, 0.0029276/step Wall: 11430, 0.0029276/step, 0.940572 hours remaining, 208.191406 MB of memory in use. ENERGY: 3843400 766.2846 2044.6485 1942.0476 120.2608 -206025.9143 17879.4146 0.0000 0.0000 34400.5276 -148872.7307 300.4284 -183273.2582 -148780.7659 299.8580 -13.7380 14.3074 556956.7038 2.9015 2.7059 PRESSURE: 3843600 -104.263 7.17965 -199.579 7.18062 18.7716 45.2936 -199.58 45.2937 -260.429 GPRESSURE: 3843600 -53.8202 12.1828 -259.885 10.2022 22.2421 11.9284 -163.615 49.5122 -228.979 PRESSAVG: 3843600 54.327 50.9295 -12.5201 50.9296 10.1952 -11.4065 -12.52 -11.4065 -59.6014 GPRESSAVG: 3843600 53.1071 50.6224 -15.0014 49.5132 10.8179 -11.4236 -12.0565 -10.3068 -58.9926 TIMING: 3843600 CPU: 11430.6, 0.0029414/step Wall: 11430.6, 0.0029414/step, 0.944845 hours remaining, 208.191406 MB of memory in use. ENERGY: 3843600 774.2904 2063.6853 1926.0209 100.0397 -206062.2096 17693.5560 0.0000 0.0000 34408.9151 -149095.7022 300.5016 -183504.6173 -149004.9709 299.8062 -115.3069 -86.8524 557388.2147 1.6402 1.6441 PRESSURE: 3843800 -90.8277 232.551 -141.743 232.551 -269.989 -153.548 -141.743 -153.549 -11.1315 GPRESSURE: 3843800 -71.7519 174.886 -125.61 282.336 -212.497 -136.563 -74.454 -70.0318 20.1955 PRESSAVG: 3843800 36.6309 56.0587 -14.91 56.0587 -6.09822 -7.1396 -14.9101 -7.13965 -40.6935 GPRESSAVG: 3843800 37.1151 55.4923 -14.2107 58.0017 -6.27038 -6.09404 -13.3103 -7.91937 -41.1543 TIMING: 3843800 CPU: 11431.2, 0.00295678/step Wall: 11431.2, 0.00295678/step, 0.949619 hours remaining, 208.191406 MB of memory in use. ENERGY: 3843800 740.0333 2078.1950 1922.2932 111.2370 -205915.7288 17735.0460 0.0000 0.0000 34195.3687 -149133.5557 298.6367 -183328.9244 -149043.2183 299.3633 -123.9829 -88.0179 558436.5885 -3.3869 -3.4365 PRESSURE: 3844000 262.551 -49.7002 59.4403 -49.6995 -67.716 -105.046 59.4404 -105.046 -86.966 GPRESSURE: 3844000 321.727 -59.8629 112.194 -25.5322 -38.0632 -63.1593 2.83298 -118.055 -81.4166 PRESSAVG: 3844000 -30.6194 45.4774 -5.9706 45.4773 12.4272 -34.6951 -5.97064 -34.6951 -0.701078 GPRESSAVG: 3844000 -30.9186 45.271 -4.32669 46.0455 11.7836 -36.1918 -7.85026 -35.0249 -0.345543 TIMING: 3844000 CPU: 11431.8, 0.00295274/step Wall: 11431.8, 0.00295274/step, 0.948159 hours remaining, 208.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3844000 747.5200 2030.4749 1891.2333 105.9543 -206021.6961 17829.9531 0.0000 0.0000 34240.2810 -149176.2795 299.0289 -183416.5606 -149074.4173 299.1618 35.9562 67.4156 557692.6008 -6.2978 -6.4935 PRESSURE: 3844200 83.1894 -103.036 -0.128212 -103.035 109.951 -85.0158 -0.128577 -85.0154 156.661 GPRESSURE: 3844200 134.941 -46.9408 -3.85418 -85.2858 118.575 -60.4939 -18.7883 -79.7881 200.137 PRESSAVG: 3844200 11.5722 -2.39824 48.9243 -2.39826 87.1994 4.85527 48.9243 4.85519 -48.4121 GPRESSAVG: 3844200 11.877 -1.64852 47.8957 -3.7217 86.412 5.7361 48.5325 4.40776 -48.3306 TIMING: 3844200 CPU: 11432.4, 0.00301541/step Wall: 11432.4, 0.00301541/step, 0.968115 hours remaining, 208.191406 MB of memory in use. ENERGY: 3844200 745.5087 2043.4077 1928.2024 109.6255 -206480.3904 17997.2561 0.0000 0.0000 34315.5152 -149340.8748 299.6859 -183656.3899 -149253.3094 298.8989 116.6006 151.2176 555195.8917 16.7865 16.6528 LDB: ============= START OF LOAD BALANCING ============== 11435.9 LDB: ============== END OF LOAD BALANCING =============== 11435.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11435.9 LDB: ============= START OF LOAD BALANCING ============== 11436.2 LDB: Largest compute 4796 load 0.023505 is 19.9% of average load 0.118228 LDB: Average compute 0.001735 is 1.5% of average load 0.118228 LDB: TIME 11436.2 LOAD: AVG 0.118228 MAX 0.199569 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.219 MB LDB: TIME 11436.2 LOAD: AVG 0.118228 MAX 0.199569 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.223 MB LDB: TIME 11436.2 LOAD: AVG 0.118228 MAX 0.199569 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11436.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11436.2 PRESSURE: 3844400 -32.1999 -9.27259 -146.592 -9.27288 -56.7175 -76.9721 -146.59 -76.9729 -206.554 GPRESSURE: 3844400 39.9446 -53.4415 -151.284 -19.1991 -60.2776 -57.6473 -166.448 -58.4667 -170.772 PRESSAVG: 3844400 43.0131 -42.5437 4.35804 -42.5437 10.5667 -31.1981 4.35805 -31.1982 -70.3244 GPRESSAVG: 3844400 43.3408 -43.6518 3.90078 -43.0887 10.2729 -30.4095 5.79307 -31.471 -70.7734 TIMING: 3844400 CPU: 11433, 0.00305598/step Wall: 11433, 0.00305598/step, 0.980971 hours remaining, 207.253906 MB of memory in use. ENERGY: 3844400 783.9279 2103.5140 1938.6990 122.2631 -206461.4358 17801.4729 0.0000 0.0000 34438.2340 -149273.3248 300.7577 -183711.5588 -149183.9922 299.3227 -98.4903 -63.7017 556524.3097 -5.5816 -5.7199 PRESSURE: 3844600 -139.105 3.0106 16.2337 3.01066 -98.2975 90.8793 16.2345 90.8766 -192.677 GPRESSURE: 3844600 -114.46 -52.0443 40.4262 -89.0894 -92.5356 -5.65901 -26.7613 150.634 -128.738 PRESSAVG: 3844600 18.5202 14.4189 -36.9258 14.4188 11.2457 23.9275 -36.9257 23.9277 -69.8785 GPRESSAVG: 3844600 17.5218 14.4154 -35.3913 14.3083 12.4527 23.9243 -36.9806 23.2176 -70.3795 TIMING: 3844600 CPU: 11433.6, 0.00297173/step Wall: 11433.6, 0.00297173/step, 0.95376 hours remaining, 207.453125 MB of memory in use. ENERGY: 3844600 739.3876 2057.2315 1914.5718 117.5058 -206156.7650 17622.5811 0.0000 0.0000 34384.9054 -149320.5818 300.2919 -183705.4872 -149215.8801 298.8196 -143.3599 -111.9111 558420.4435 -13.3709 -13.4684 PRESSURE: 3844800 -140.46 -4.30693 -173.367 -4.30482 134.2 20.9541 -173.367 20.9526 150.279 GPRESSURE: 3844800 -122.74 18.6279 -114.085 -79.5388 179.052 73.4545 -253.356 -27.4186 185.592 PRESSAVG: 3844800 10.6216 -51.0795 -26.7378 -51.0795 -23.8479 33.2394 -26.7377 33.2394 25.1012 GPRESSAVG: 3844800 11.1655 -48.24 -26.8568 -51.3878 -24.2817 33.27 -28.4332 33.3064 24.7952 TIMING: 3844800 CPU: 11434.2, 0.00299221/step Wall: 11434.2, 0.00299221/step, 0.960167 hours remaining, 207.453125 MB of memory in use. ENERGY: 3844800 752.9062 2106.9342 1944.3080 114.6959 -206497.0741 17896.4449 0.0000 0.0000 34117.8045 -149563.9804 297.9593 -183681.7849 -149467.6612 299.1084 48.0062 80.6347 556797.6029 3.9583 3.8930 PRESSURE: 3845000 -106.055 13.3587 4.45106 13.3572 269.726 -4.79723 4.45179 -4.79765 145.858 GPRESSURE: 3845000 -81.4303 84.5578 -14.4542 -1.77339 265.26 2.67538 110.876 53.6562 211.085 PRESSAVG: 3845000 56.113 37.5806 -23.3175 37.5806 -43.8923 -17.9908 -23.3174 -17.9908 19.4354 GPRESSAVG: 3845000 57.2444 35.8099 -23.738 36.3472 -44.1971 -19.7978 -22.8049 -16.4983 18.8845 TIMING: 3845000 CPU: 11434.8, 0.00295933/step Wall: 11434.8, 0.00295933/step, 0.949453 hours remaining, 207.453125 MB of memory in use. ENERGY: 3845000 732.6902 2077.7730 1905.5246 120.8619 -206177.4931 17908.6094 0.0000 0.0000 33931.1698 -149500.8642 296.3293 -183432.0340 -149404.0237 298.4143 103.1761 131.6384 555587.5619 10.5520 10.6439 PRESSURE: 3845200 -75.2426 -2.37899 62.9164 -2.37918 171.999 32.3293 62.9168 32.3298 -14.0156 GPRESSURE: 3845200 -40.2948 2.89263 36.4642 -28.8136 196.865 82.5043 54.3405 -11.7003 27.9638 PRESSAVG: 3845200 -111.703 22.08 -7.29 22.0799 49.4299 -1.94528 -7.28996 -1.94533 36.085 GPRESSAVG: 3845200 -113.099 20.6797 -8.1439 24.1476 49.6885 -0.67781 -6.15955 -3.88168 37.4766 TIMING: 3845200 CPU: 11435.4, 0.00295503/step Wall: 11435.4, 0.00295503/step, 0.947909 hours remaining, 207.453125 MB of memory in use. ENERGY: 3845200 764.2978 2082.2636 1897.7679 111.4158 -206375.9097 17950.6758 0.0000 0.0000 33994.5349 -149574.9539 296.8827 -183569.4888 -149485.4711 297.6719 27.5804 61.5112 556236.2452 -8.7293 -8.6446 PRESSURE: 3845400 -338.4 -136.853 68.6177 -136.851 8.62079 -49.0994 68.6176 -49.1005 -400.089 GPRESSURE: 3845400 -354.437 13.9131 73.6602 -182.807 122.699 -57.3665 -30.4931 -69.7264 -399.611 PRESSAVG: 3845400 -67.278 14.8072 1.25752 14.8073 23.0553 -50.8394 1.25754 -50.8394 38.2675 GPRESSAVG: 3845400 -67.0042 16.9648 1.74705 12.9602 24.1597 -50.8487 1.03484 -49.4451 36.8256 TIMING: 3845400 CPU: 11436, 0.00294425/step Wall: 11436, 0.00294425/step, 0.944287 hours remaining, 207.453125 MB of memory in use. ENERGY: 3845400 755.2700 2067.6958 1905.9623 123.9240 -205759.5597 17438.7392 0.0000 0.0000 34051.9652 -149416.0032 297.3843 -183467.9683 -149319.4771 298.0778 -243.2894 -210.4498 557823.7575 -1.9851 -2.0063 PRESSURE: 3845600 52.8562 5.83398 19.3164 5.83338 54.6388 144.15 19.3169 144.152 19.4397 GPRESSURE: 3845600 76.4438 -77.8144 -10.7187 28.6699 130.069 160.401 15.8407 80.9853 6.59839 PRESSAVG: 3845600 -29.591 -25.0484 -86.7368 -25.0484 -11.3332 -23.9209 -86.7368 -23.9209 26.785 GPRESSAVG: 3845600 -28.8137 -27.3535 -86.7026 -22.9172 -11.8086 -25.4831 -85.7918 -25.2258 27.0616 TIMING: 3845600 CPU: 11436.5, 0.00294354/step Wall: 11436.5, 0.00294354/step, 0.943896 hours remaining, 207.453125 MB of memory in use. ENERGY: 3845600 741.9738 2069.2650 1903.2895 109.3905 -206282.2400 17712.4799 0.0000 0.0000 34138.8518 -149606.9895 298.1431 -183745.8413 -149510.7984 297.5153 42.3115 71.0372 557382.3192 -4.7131 -4.5202 PRESSURE: 3845800 223.171 -140.519 -13.7304 -140.519 -81.3978 49.3076 -13.73 49.3088 416.677 GPRESSURE: 3845800 282.134 -163.887 48.0502 -117.952 -71.3553 -16.2385 -59.6066 8.22124 448.391 PRESSAVG: 3845800 24.94 -11.2655 14.92 -11.2655 -75.0659 25.3029 14.9201 25.303 50.4391 GPRESSAVG: 3845800 25.2919 -9.52555 14.5216 -13.3932 -75.4583 26.3941 14.2449 27.2949 50.1615 TIMING: 3845800 CPU: 11437.1, 0.00294776/step Wall: 11437.1, 0.00294776/step, 0.945083 hours remaining, 207.453125 MB of memory in use. ENERGY: 3845800 748.0534 2079.0313 1930.7062 120.3653 -206824.1866 18055.4106 0.0000 0.0000 34271.2963 -149619.3237 299.2998 -183890.6200 -149528.8026 297.8079 186.1500 219.7234 555297.6662 0.1044 -0.0016 PRESSURE: 3846000 -325.348 104.717 -47.7484 104.717 169.31 166.605 -47.7489 166.604 -234.502 GPRESSURE: 3846000 -305.438 131.015 40.2635 41.6237 159.722 132.915 -104.108 169.563 -140.174 PRESSAVG: 3846000 -46.086 2.40508 -7.41696 2.40505 35.523 28.8206 -7.41698 28.8208 10.4112 GPRESSAVG: 3846000 -47.8561 3.2793 -7.91847 1.75947 35.7851 28.4197 -8.47436 27.3745 12.163 TIMING: 3846000 CPU: 11437.7, 0.00292985/step Wall: 11437.7, 0.00292985/step, 0.939181 hours remaining, 207.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3846000 733.3930 2114.3522 1912.7467 102.8706 -206189.9470 17638.5096 0.0000 0.0000 34183.9639 -149504.1110 298.5371 -183688.0749 -149406.4168 298.3959 -130.1800 -95.2969 556906.3184 -0.0506 0.0307 PRESSURE: 3846200 -60.4333 -173.43 -40.849 -173.429 -80.0655 5.68278 -40.8502 5.68032 -13.5672 GPRESSURE: 3846200 -22.9133 -141.313 39.7885 -75.8747 -82.6456 -30.6816 -61.5005 39.2211 45.122 PRESSAVG: 3846200 -40.9827 8.08182 -23.6738 8.08191 -5.21755 -16.2858 -23.6738 -16.2859 -19.8657 GPRESSAVG: 3846200 -39.3616 7.27732 -22.8964 7.44422 -5.44269 -17.3046 -24.3599 -13.6864 -21.378 TIMING: 3846200 CPU: 11438.3, 0.0029431/step Wall: 11438.3, 0.0029431/step, 0.943264 hours remaining, 207.453125 MB of memory in use. ENERGY: 3846200 740.0708 2117.6327 1888.6966 112.0249 -206052.4224 17733.9776 0.0000 0.0000 34067.5020 -149392.5176 297.5200 -183460.0196 -149301.1301 299.2076 -51.3553 -20.1456 558598.6163 -22.0220 -22.0608 PRESSURE: 3846400 -203.964 -2.05637 62.8941 -2.05536 1.74675 -24.7928 62.8935 -24.7929 77.8695 GPRESSURE: 3846400 -146.459 -57.4663 39.2885 -7.96943 60.8247 23.8353 84.9927 -70.9373 56.534 PRESSAVG: 3846400 10.8866 -33.4703 22.6364 -33.4704 8.7409 27.8907 22.6362 27.8906 2.84595 GPRESSAVG: 3846400 8.99731 -37.4692 24.3944 -28.469 9.03813 29.1182 22.2028 25.4874 3.96681 TIMING: 3846400 CPU: 11438.9, 0.00292168/step Wall: 11438.9, 0.00292168/step, 0.936236 hours remaining, 207.453125 MB of memory in use. ENERGY: 3846400 745.6427 2117.2319 1923.1578 110.1906 -206262.9996 17872.1015 0.0000 0.0000 34066.3367 -149428.3385 297.5098 -183494.6752 -149334.6454 298.2597 -41.4492 -9.7002 558836.2750 7.4912 7.3341 PRESSURE: 3846600 26.6373 32.9338 -165.965 32.9342 37.5283 88.9399 -165.963 88.9395 55.9704 GPRESSURE: 3846600 53.255 -26.0178 -199.55 72.2155 62.7398 46.9245 -92.6088 79.2467 105.547 PRESSAVG: 3846600 39.5828 -50.8612 -65.4194 -50.8612 -27.9279 44.2223 -65.4195 44.2222 -24.09 GPRESSAVG: 3846600 40.9481 -49.921 -67.9468 -52.4924 -28.1399 43.6258 -63.4979 46.9579 -25.2476 TIMING: 3846600 CPU: 11439.5, 0.00293362/step Wall: 11439.5, 0.00293362/step, 0.939899 hours remaining, 207.453125 MB of memory in use. ENERGY: 3846600 714.1908 2085.8336 1903.1340 116.6758 -206428.1301 17884.1612 0.0000 0.0000 34260.4404 -149463.6944 299.2049 -183724.1348 -149359.1320 298.0706 40.0453 73.8473 557253.2305 -4.1450 -4.1464 PRESSURE: 3846800 -34.9245 19.0291 211.888 19.0297 26.714 -59.8692 211.888 -59.8688 81.917 GPRESSURE: 3846800 34.1911 78.5746 184.646 24.2655 63.1606 -0.322932 217.341 -75.8291 77.6725 PRESSAVG: 3846800 -41.3053 33.456 8.6809 33.4561 33.3213 8.12222 8.68092 8.12223 12.4629 GPRESSAVG: 3846800 -41.775 36.6876 12.5588 31.508 32.6059 7.80081 5.52749 6.61539 13.631 TIMING: 3846800 CPU: 11440.1, 0.0029617/step Wall: 11440.1, 0.0029617/step, 0.948733 hours remaining, 207.453125 MB of memory in use. ENERGY: 3846800 764.4028 2114.2437 1885.5104 105.9191 -206452.5262 17976.6058 0.0000 0.0000 34198.5042 -149407.3401 298.6640 -183605.8443 -149303.2384 299.3961 24.5688 58.3414 557503.8704 1.4930 1.4873 PRESSURE: 3847000 -111.049 -26.3039 57.389 -26.3031 -87.4838 178.7 57.3879 178.701 15.0956 GPRESSURE: 3847000 -86.3885 -23.6239 127.558 -5.34111 -30.745 198.415 72.7406 212.813 34.3327 PRESSAVG: 3847000 -29.3639 2.89924 31.217 2.89919 24.7729 -16.1434 31.2171 -16.1433 -4.83446 GPRESSAVG: 3847000 -30.1835 0.789381 28.3514 4.41323 26.1254 -16.8595 33.4958 -14.5169 -5.74312 TIMING: 3847000 CPU: 11440.7, 0.00295418/step Wall: 11440.7, 0.00295418/step, 0.946159 hours remaining, 207.453125 MB of memory in use. ENERGY: 3847000 774.6905 2117.7271 1904.3341 109.2348 -206128.3206 17785.8597 0.0000 0.0000 34078.9742 -149357.5001 297.6202 -183436.4743 -149270.1417 298.9959 -61.1457 -27.6003 557991.2663 -3.1418 -3.2671 PRESSURE: 3847200 -70.9281 -47.9764 117.081 -47.9752 -31.6175 59.8114 117.082 59.811 -99.7052 GPRESSURE: 3847200 -20.5247 64.9853 151.265 -101.979 -36.4231 47.3443 147.99 117.314 -63.5101 PRESSAVG: 3847200 56.7717 38.5508 -4.02864 38.5508 -69.6985 24.7861 -4.02862 24.7862 14.2014 GPRESSAVG: 3847200 57.3999 39.4089 -4.36431 38.2196 -71.1766 24.9146 -1.54714 25.4632 14.5037 TIMING: 3847200 CPU: 11441.2, 0.00293043/step Wall: 11441.2, 0.00293043/step, 0.93839 hours remaining, 207.453125 MB of memory in use. ENERGY: 3847200 754.7245 2100.4078 1934.0814 110.8199 -206222.6627 17850.7001 0.0000 0.0000 34186.2545 -149285.6744 298.5571 -183471.9290 -149191.9737 299.0480 -67.4169 -40.1526 557745.2267 0.4249 0.2423 PRESSURE: 3847400 197.408 -40.213 -68.7258 -40.2134 142.215 80.307 -68.7266 80.308 -39.7183 GPRESSURE: 3847400 244.397 -57.0981 -8.22305 -53.1105 131.432 60.5992 -130.528 53.7251 29.5642 PRESSAVG: 3847400 7.03943 17.7255 1.04154 17.7256 4.51282 9.79495 1.04154 9.79509 -10.5747 GPRESSAVG: 3847400 6.47553 18.7578 1.4183 17.5492 4.89534 9.32931 -2.00911 7.82523 -10.5867 TIMING: 3847400 CPU: 11441.8, 0.00294401/step Wall: 11441.8, 0.00294401/step, 0.942574 hours remaining, 207.453125 MB of memory in use. ENERGY: 3847400 726.5726 2078.0764 1902.4620 111.9687 -206544.7561 18050.0765 0.0000 0.0000 34197.7024 -149477.8975 298.6570 -183675.5999 -149380.4410 298.6970 99.9680 135.1310 557467.6038 0.3258 0.2614 PRESSURE: 3847600 159.904 43.4114 -56.139 43.4133 162.649 25.7039 -56.1391 25.7031 246.385 GPRESSURE: 3847600 258.545 81.9583 -4.45806 40.9158 150.365 1.72856 -97.6055 31.7123 260.607 PRESSAVG: 3847600 -62.6652 6.50818 -7.89253 6.50813 8.97097 23.3878 -7.89255 23.3878 60.5512 GPRESSAVG: 3847600 -60.5772 4.20665 -9.86403 7.15231 8.5309 25.2781 -6.23063 23.9383 59.5673 TIMING: 3847600 CPU: 11442.4, 0.00297332/step Wall: 11442.4, 0.00297332/step, 0.951793 hours remaining, 207.453125 MB of memory in use. ENERGY: 3847600 760.8357 2049.7394 1912.0595 98.5222 -206855.2573 18261.1876 0.0000 0.0000 34159.1797 -149613.7332 298.3206 -183772.9130 -149518.5063 298.1521 189.6463 223.1726 557490.1508 2.2857 2.5070 PRESSURE: 3847800 -101.154 -58.4858 -147.307 -58.4858 -109.962 150.908 -147.306 150.909 -53.1369 GPRESSURE: 3847800 -30.447 -50.651 -198.498 -80.2186 -107.032 227.584 -123.891 62.4935 -31.68 PRESSAVG: 3847800 -12.9579 -55.9273 -8.90887 -55.9273 -30.9387 12.1133 -8.90877 12.1134 6.17619 GPRESSAVG: 3847800 -13.8552 -55.2662 -7.14139 -56.027 -30.2284 9.20145 -11.0796 14.4437 6.69723 TIMING: 3847800 CPU: 11443, 0.00294164/step Wall: 11443, 0.00294164/step, 0.941487 hours remaining, 207.453125 MB of memory in use. ENERGY: 3847800 757.0049 2041.6063 1915.2597 111.1880 -206207.3127 17773.8902 0.0000 0.0000 33994.5036 -149613.8600 296.8825 -183608.3636 -149513.1060 297.8689 -88.0843 -56.3863 558670.0880 -12.5735 -12.4621 PRESSURE: 3848000 -28.4114 -25.2085 13.8812 -25.207 -202.659 -74.119 13.8824 -74.1196 -207.067 GPRESSURE: 3848000 -1.53647 -65.4514 1.35881 9.63536 -201.775 -93.7074 28.2236 -64.2102 -161.18 PRESSAVG: 3848000 17.6065 -20.5335 -39.8609 -20.5334 1.59159 4.04359 -39.8608 4.04359 1.661 GPRESSAVG: 3848000 17.9815 -20.5702 -38.8781 -21.1531 1.46306 6.68322 -39.2306 3.1182 1.49603 TIMING: 3848000 CPU: 11443.6, 0.00293275/step Wall: 11443.6, 0.00293275/step, 0.938481 hours remaining, 207.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3848000 773.1400 2113.4381 1917.2429 116.4726 -205996.0376 17500.2432 0.0000 0.0000 34049.1786 -149526.3224 297.3599 -183575.5010 -149434.9801 298.0389 -146.0460 -121.4970 558214.2717 6.9530 6.9802 PRESSURE: 3848200 106.346 -105.133 139.825 -105.134 -30.7163 -18.6593 139.826 -18.6587 -88.7744 GPRESSURE: 3848200 110.796 -117.87 181.497 -58.4639 36.1368 57.0334 143.308 16.8328 -71.7021 PRESSAVG: 3848200 -36.4088 -10.9856 15.5098 -10.9858 -20.7671 -3.04642 15.5099 -3.0464 95.1351 GPRESSAVG: 3848200 -35.1791 -10.9585 14.0476 -12.5869 -22.1104 -2.93263 16.3359 -2.81467 94.8495 TIMING: 3848200 CPU: 11444.2, 0.0029167/step Wall: 11444.2, 0.0029167/step, 0.933181 hours remaining, 207.453125 MB of memory in use. ENERGY: 3848200 761.9258 2104.9370 1926.1898 109.0755 -206539.0946 17933.2358 0.0000 0.0000 34328.0728 -149375.6580 299.7956 -183703.7308 -149283.4971 298.2399 -4.3815 25.0769 557915.7159 12.6530 12.5200 LDB: ============= START OF LOAD BALANCING ============== 11447.7 LDB: ============== END OF LOAD BALANCING =============== 11447.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11447.7 LDB: ============= START OF LOAD BALANCING ============== 11448 LDB: Largest compute 4802 load 0.025280 is 21.4% of average load 0.118214 LDB: Average compute 0.001734 is 1.5% of average load 0.118214 LDB: TIME 11448 LOAD: AVG 0.118214 MAX 0.19664 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.734 MB LDB: TIME 11448 LOAD: AVG 0.118214 MAX 0.19664 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.734 MB LDB: TIME 11448 LOAD: AVG 0.118214 MAX 0.19664 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11448 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11448 PRESSURE: 3848400 -241.317 -73.3346 113.055 -73.3348 -201.369 144.395 113.055 144.396 -214.781 GPRESSURE: 3848400 -214.664 -35.3553 133.977 -33.18 -152.586 202.009 178.249 67.6912 -186.938 PRESSAVG: 3848400 -7.34976 -52.0588 7.5685 -52.0589 -11.0229 -33.372 7.56853 -33.3721 34.8124 GPRESSAVG: 3848400 -8.12244 -51.4115 8.21402 -51.0397 -10.046 -34.706 6.34706 -33.7496 35.0972 TIMING: 3848400 CPU: 11444.8, 0.00300976/step Wall: 11444.8, 0.00300976/step, 0.962787 hours remaining, 206.742188 MB of memory in use. ENERGY: 3848400 727.7552 2090.3889 1910.8130 117.2692 -205706.8328 17453.1025 0.0000 0.0000 34092.9308 -149314.5733 297.7420 -183407.5041 -149212.0318 298.5809 -219.1558 -184.7290 559858.2788 5.4799 5.6429 PRESSURE: 3848600 -132.559 166.098 70.6612 166.098 -139.921 -118.153 70.6605 -118.149 -70.7326 GPRESSURE: 3848600 -133.671 171.766 33.6496 161.462 -92.3546 -58.2305 82.5364 -102.224 -30.1633 PRESSAVG: 3848600 18.4428 22.5813 64.9479 22.5813 18.4602 14.8619 64.948 14.8621 -23.5808 GPRESSAVG: 3848600 17.7047 21.0008 64.3612 22.2119 18.9108 17.2635 65.1261 14.6758 -23.6867 TIMING: 3848600 CPU: 11445.4, 0.00294979/step Wall: 11445.4, 0.00294979/step, 0.943443 hours remaining, 206.941406 MB of memory in use. ENERGY: 3848600 755.5724 2169.7993 1899.2713 108.7664 -206216.1683 17769.9763 0.0000 0.0000 34082.6152 -149430.1673 297.6520 -183512.7826 -149338.3045 298.9588 -114.4042 -85.3963 557858.8850 4.4407 4.3096 PRESSURE: 3848800 -38.1628 191.899 -6.67509 191.899 -137.325 -152.114 -6.67325 -152.115 54.2677 GPRESSURE: 3848800 -25.1362 169.016 -65.4603 259.195 -55.3144 -190.073 102.336 -169.57 52.0761 PRESSAVG: 3848800 14.8935 3.39263 24.2655 3.39264 -37.7147 -13.724 24.2654 -13.724 3.56193 GPRESSAVG: 3848800 15.374 4.00984 25.4221 4.4846 -38.2606 -15.2698 24.1594 -12.2788 4.04076 TIMING: 3848800 CPU: 11446, 0.00294233/step Wall: 11446, 0.00294233/step, 0.940893 hours remaining, 206.980469 MB of memory in use. ENERGY: 3848800 756.2361 2068.6642 1916.4361 110.4545 -206518.2591 17883.1104 0.0000 0.0000 34214.2563 -149569.1015 298.8016 -183783.3578 -149468.0510 299.0233 -40.4068 -9.4582 557430.0698 -6.4198 -6.2819 PRESSURE: 3849000 -170.591 8.16247 3.37973 8.16252 -236.641 -18.0309 3.37898 -18.0314 -10.0719 GPRESSURE: 3849000 -155.451 -22.4193 -4.18732 90.588 -217.665 13.4045 -7.88941 -53.2931 47.0351 PRESSAVG: 3849000 21.2543 -3.49254 71.5484 -3.49254 -36.6173 4.41699 71.5485 4.41687 56.5891 GPRESSAVG: 3849000 20.869 -5.34723 71.8453 -4.48602 -36.7803 3.24213 71.2913 3.50619 56.9245 TIMING: 3849000 CPU: 11446.6, 0.00293832/step Wall: 11446.6, 0.00293832/step, 0.939446 hours remaining, 206.980469 MB of memory in use. ENERGY: 3849000 770.0661 2106.0600 1932.2708 107.2810 -206197.0678 17515.3272 0.0000 0.0000 34414.4019 -149351.6607 300.5495 -183766.0627 -149253.6076 299.1048 -139.1012 -108.6936 555659.0788 13.7421 13.6711 PRESSURE: 3849200 256.613 -5.36131 234.834 -5.36094 89.4799 47.2093 234.834 47.2099 37.2348 GPRESSURE: 3849200 230.12 -76.1968 290.504 36.8255 123.641 17.1505 167.104 -6.66612 132.737 PRESSAVG: 3849200 6.31239 33.0091 56.8703 33.0092 -6.35899 -35.8201 56.8702 -35.82 2.50564 GPRESSAVG: 3849200 6.50486 34.7076 56.8414 32.251 -5.63125 -33.1792 56.3675 -36.7678 1.87943 TIMING: 3849200 CPU: 11447.1, 0.00296831/step Wall: 11447.1, 0.00296831/step, 0.948868 hours remaining, 206.980469 MB of memory in use. ENERGY: 3849200 745.1336 2040.4856 1921.1878 116.4315 -206337.8353 17999.7475 0.0000 0.0000 34318.6202 -149196.2290 299.7130 -183514.8492 -149101.6315 299.5619 127.7759 162.1658 556167.2966 0.8197 0.9177 PRESSURE: 3849400 9.17937 35.7662 -12.1948 35.7661 82.6873 207.519 -12.1951 207.518 -31.6955 GPRESSURE: 3849400 34.1997 -32.6932 -100.177 62.7371 87.663 203.534 32.8807 196.098 24.9922 PRESSAVG: 3849400 -12.361 -36.8349 -40.0272 -36.835 13.0942 44.4933 -40.0274 44.4933 -12.1516 GPRESSAVG: 3849400 -12.2867 -38.6937 -40.7014 -33.9117 12.7391 42.6361 -39.2654 46.7127 -11.9596 TIMING: 3849400 CPU: 11447.7, 0.00294259/step Wall: 11447.7, 0.00294259/step, 0.940483 hours remaining, 206.980469 MB of memory in use. ENERGY: 3849400 738.1008 2056.3841 1893.0669 105.7209 -206246.4038 18036.5131 0.0000 0.0000 34258.4097 -149158.2084 299.1872 -183416.6181 -149060.9919 299.3626 20.0570 48.9516 558144.0729 -3.8062 -3.8357 PRESSURE: 3849600 -251.073 -58.8543 -67.1769 -58.8543 186.902 -37.5302 -67.1772 -37.5282 -108.618 GPRESSURE: 3849600 -235.864 -38.6304 -50.2838 -78.2984 230.287 -59.5336 -88.4609 -25.2706 -68.2598 PRESSAVG: 3849600 -26.1572 -30.3544 14.4852 -30.3545 94.6154 -34.9151 14.4853 -34.9151 -8.63452 GPRESSAVG: 3849600 -26.1278 -28.8342 11.7635 -33.1604 94.3017 -36.0924 15.7753 -34.4897 -7.85912 TIMING: 3849600 CPU: 11448.3, 0.00295748/step Wall: 11448.3, 0.00295748/step, 0.945078 hours remaining, 206.980469 MB of memory in use. ENERGY: 3849600 771.8686 2038.2359 1930.5433 114.7584 -206184.5507 17841.6736 0.0000 0.0000 34299.2011 -149188.2698 299.5435 -183487.4709 -149086.0867 299.4315 -57.5963 -24.6123 559304.8094 19.9412 20.1049 PRESSURE: 3849800 7.81175 -147.558 -150.744 -147.557 221.3 -79.4781 -150.746 -79.4772 133.612 GPRESSURE: 3849800 73.822 -136.819 -152.496 -113.898 237.799 61.6946 -189.121 -163.404 156.283 PRESSAVG: 3849800 -46.5636 51.7168 25.8174 51.7167 77.8421 -3.22456 25.8174 -3.22447 -29.6015 GPRESSAVG: 3849800 -46.449 50.832 25.2944 54.7662 77.9514 1.0659 26.7534 -4.72219 -29.6392 TIMING: 3849800 CPU: 11448.9, 0.00297667/step Wall: 11448.9, 0.00297667/step, 0.951046 hours remaining, 206.980469 MB of memory in use. ENERGY: 3849800 743.9663 2142.7077 1906.8852 102.3495 -206291.0569 17871.7069 0.0000 0.0000 34386.3946 -149137.0468 300.3049 -183523.4413 -149040.0038 299.1939 120.9080 155.9679 557166.5426 0.5590 0.6211 PRESSURE: 3850000 -308.755 72.7054 21.7545 72.7049 440.287 284.806 21.7545 284.804 -1.45428 GPRESSURE: 3850000 -249.525 39.1464 10.3437 18.644 418.094 293.448 16.3124 322.786 56.2941 PRESSAVG: 3850000 -126.065 3.96191 -49.8337 3.96188 60.8523 -12.3968 -49.8337 -12.3967 17.1474 GPRESSAVG: 3850000 -126.512 3.31313 -47.5004 3.03634 61.4488 -14.9438 -52.8894 -11.0934 16.6515 TIMING: 3850000 CPU: 11449.5, 0.00294531/step Wall: 11449.5, 0.00294531/step, 0.940863 hours remaining, 206.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3850000 737.0632 2086.2337 1880.8541 111.0575 -206298.5351 17956.1523 0.0000 0.0000 34357.3181 -149169.8563 300.0510 -183527.1744 -149069.8217 299.6995 43.3592 74.9546 557310.6349 -16.0218 -16.1372 PRESSURE: 3850200 -169.156 84.5328 -105.399 84.5323 131.449 8.78964 -105.4 8.78986 62.8096 GPRESSURE: 3850200 -149.72 86.3782 -185.419 -27.1204 149.262 24.0903 -48.8404 -74.2152 111.917 PRESSAVG: 3850200 -41.1609 -3.41266 -51.5413 -3.41263 32.8659 -21.6627 -51.5413 -21.6627 36.4677 GPRESSAVG: 3850200 -41.6608 -3.06166 -50.9686 -2.88981 33.0749 -21.2903 -50.7195 -22.8451 36.3812 TIMING: 3850200 CPU: 11450.1, 0.00294377/step Wall: 11450.1, 0.00294377/step, 0.940208 hours remaining, 206.980469 MB of memory in use. ENERGY: 3850200 736.4051 2154.4930 1932.5486 114.8438 -205945.3666 17590.9369 0.0000 0.0000 34131.0821 -149285.0571 298.0752 -183416.1393 -149190.8307 299.4154 8.3674 37.1530 555263.5273 9.3909 9.2651 PRESSURE: 3850400 100.476 159.839 19.9187 159.838 179.472 52.9319 19.9191 52.9303 -148.898 GPRESSURE: 3850400 131.18 174.035 -47.3711 187.984 185.819 90.0027 27.9919 76.8724 -103.992 PRESSAVG: 3850400 -40.2947 29.6391 -5.35635 29.6391 34.2174 -1.3725 -5.35635 -1.37263 9.10685 GPRESSAVG: 3850400 -39.5782 31.0365 -5.93817 29.0663 32.7943 -2.43331 -5.63797 -0.0927179 9.51695 TIMING: 3850400 CPU: 11450.7, 0.00293969/step Wall: 11450.7, 0.00293969/step, 0.938741 hours remaining, 206.980469 MB of memory in use. ENERGY: 3850400 730.4212 2116.4763 1896.5190 122.9714 -206291.9557 17816.6132 0.0000 0.0000 34231.4807 -149377.4740 298.9520 -183608.9547 -149280.6765 299.1239 43.6836 71.0024 554858.7081 1.0099 0.9110 PRESSURE: 3850600 317.553 86.368 -43.8967 86.3675 97.9075 -165.163 -43.896 -165.164 -56.301 GPRESSURE: 3850600 322.542 -13.617 -99.0001 20.9126 115.102 -88.991 -36.492 -217.302 24.3737 PRESSAVG: 3850600 -2.77795 -15.3997 14.3944 -15.3997 -38.9023 -0.578361 14.3943 -0.578315 51.1395 GPRESSAVG: 3850600 -3.28938 -17.2986 13.0669 -14.588 -38.5966 0.104835 13.3652 -0.0434274 51.1268 TIMING: 3850600 CPU: 11451.3, 0.00296353/step Wall: 11451.3, 0.00296353/step, 0.94619 hours remaining, 206.980469 MB of memory in use. ENERGY: 3850600 737.7212 2023.2724 1936.2023 130.3116 -206131.0911 17876.2241 0.0000 0.0000 34200.9259 -149226.4336 298.6852 -183427.3596 -149126.2359 299.0610 119.7199 154.0060 555766.2937 3.1531 3.0802 PRESSURE: 3850800 161.856 15.5493 3.84062 15.5507 267.037 103.802 3.84192 103.804 80.6843 GPRESSURE: 3850800 213.33 41.9096 -10.9598 -68.2069 285.656 78.3786 -13.1085 78.9279 124.951 PRESSAVG: 3850800 -14.1921 19.172 -53.2087 19.1719 -23.7261 44.1735 -53.2087 44.1735 26.0664 GPRESSAVG: 3850800 -13.6598 20.4492 -51.6534 17.1334 -23.4392 43.6038 -52.3422 42.3076 25.2715 TIMING: 3850800 CPU: 11451.9, 0.00294782/step Wall: 11451.9, 0.00294782/step, 0.94101 hours remaining, 206.980469 MB of memory in use. ENERGY: 3850800 719.2934 2096.1172 1909.1106 101.3494 -206264.0092 18057.2459 0.0000 0.0000 34381.9488 -148998.9439 300.2661 -183380.8927 -148907.9890 299.4888 169.8590 207.9790 557130.7351 -3.9506 -3.9425 PRESSURE: 3851000 -62.5607 -83.6279 -5.02878 -83.6279 144.92 288.903 -5.02838 288.904 77.5119 GPRESSURE: 3851000 8.31242 -103.762 45.9112 -54.0609 173.198 291.899 -32.6924 229.226 74.8353 PRESSAVG: 3851000 -98.6676 -20.3704 -1.83993 -20.3704 3.54276 36.6959 -1.83992 36.6959 27.7674 GPRESSAVG: 3851000 -98.7746 -22.5592 -1.60959 -19.2152 2.1321 34.6157 -3.45396 37.8902 29.7386 TIMING: 3851000 CPU: 11452.5, 0.00297981/step Wall: 11452.5, 0.00297981/step, 0.951055 hours remaining, 206.980469 MB of memory in use. ENERGY: 3851000 771.8539 2085.8801 1907.1761 106.5027 -206254.4338 17910.1375 0.0000 0.0000 34453.7299 -149019.1537 300.8930 -183472.8836 -148921.7625 299.3663 53.2903 85.4487 557513.8399 -22.4525 -22.3013 PRESSURE: 3851200 -305.588 -38.4984 95.2612 -38.4976 -186.666 40.3222 95.2602 40.3229 -147.67 GPRESSURE: 3851200 -262.802 8.09485 51.5623 -0.137877 -209.276 14.3404 84.1307 2.11469 -80.2842 PRESSAVG: 3851200 -29.8637 -5.1025 -39.2525 -5.1025 49.1391 24.9152 -39.2525 24.9153 -8.77085 GPRESSAVG: 3851200 -29.9355 -2.09769 -41.2846 -6.14318 50.9998 26.8816 -37.039 25.2748 -10.4535 TIMING: 3851200 CPU: 11453.1, 0.00292897/step Wall: 11453.1, 0.00292896/step, 0.934665 hours remaining, 206.980469 MB of memory in use. ENERGY: 3851200 733.5987 2145.5562 1916.6045 112.6726 -205831.7410 17443.4021 0.0000 0.0000 34402.5678 -149077.3391 300.4462 -183479.9069 -148968.7434 299.9197 -213.3080 -184.1207 559004.5794 3.5015 3.5369 PRESSURE: 3851400 213.726 -63.8439 22.7245 -63.8439 90.2118 -10.2154 22.7244 -10.2158 -89.1366 GPRESSURE: 3851400 195.777 -50.6953 13.023 -92.7946 190.714 67.8136 9.7479 -116.251 -72.8417 PRESSAVG: 3851400 16.5276 -27.2695 4.046 -27.2695 10.7364 34.4341 4.04594 34.4341 -26.2681 GPRESSAVG: 3851400 18.2166 -28.763 7.58844 -27.3694 8.75091 37.257 2.93011 31.8443 -25.4829 TIMING: 3851400 CPU: 11453.6, 0.00292322/step Wall: 11453.6, 0.00292322/step, 0.932669 hours remaining, 206.980469 MB of memory in use. ENERGY: 3851400 772.0790 2106.5700 1926.7317 123.0041 -206341.9859 17989.8257 0.0000 0.0000 34254.4494 -149169.3261 299.1526 -183423.7755 -149071.8845 299.3619 71.6003 104.5497 557359.5855 0.3320 0.4949 PRESSURE: 3851600 -210.675 -54.2458 28.886 -54.2461 20.2588 -8.91986 28.8853 -8.91881 -300.379 GPRESSURE: 3851600 -184.166 -188.853 78.9514 87.5886 48.2686 -51.456 -11.101 15.3709 -253.586 PRESSAVG: 3851600 51.0897 -15.7893 28.8339 -15.7894 -11.1288 -18.8997 28.8338 -18.8997 -60.6363 GPRESSAVG: 3851600 50.9979 -15.0739 26.6837 -13.3785 -10.4958 -21.8533 28.0873 -16.9118 -61.2169 TIMING: 3851600 CPU: 11454.2, 0.00294521/step Wall: 11454.2, 0.00294521/step, 0.939521 hours remaining, 206.980469 MB of memory in use. ENERGY: 3851600 733.0826 2107.0707 1925.5657 115.2179 -206178.9669 17687.5946 0.0000 0.0000 34328.7959 -149281.6395 299.8019 -183610.4354 -149186.1684 299.3827 -163.5982 -129.8279 557744.6881 -6.8918 -6.9050 PRESSURE: 3851800 -160.813 155.68 161.328 155.679 194.822 -61.2499 161.329 -61.2495 25.1135 GPRESSURE: 3851800 -134.599 139.542 118.777 158.665 201.195 -71.3294 249.395 -3.46387 90.411 PRESSAVG: 3851800 48.2065 7.53958 6.91683 7.53965 42.6963 -5.90627 6.91694 -5.90635 -74.1343 GPRESSAVG: 3851800 48.6445 7.39836 6.27207 4.42301 42.7316 -3.86142 8.26293 -5.19972 -74.7433 TIMING: 3851800 CPU: 11454.8, 0.002967/step Wall: 11454.8, 0.002967/step, 0.946307 hours remaining, 206.980469 MB of memory in use. ENERGY: 3851800 731.8227 2107.6709 1910.5787 101.4392 -205984.5625 17768.5140 0.0000 0.0000 34237.9814 -149126.5556 299.0088 -183364.5370 -149030.0679 299.2184 19.7075 52.3359 557702.3834 5.5895 5.5443 PRESSURE: 3852000 -175.324 -34.8388 -129.784 -34.8373 39.9707 61.5946 -129.784 61.5947 -121.853 GPRESSURE: 3852000 -177.806 -111.066 -91.5448 1.21119 34.3988 16.8525 -163.027 38.8094 -29.594 PRESSAVG: 3852000 -36.1846 20.816 26.7943 20.816 27.0876 10.8794 26.7943 10.8793 -27.0463 GPRESSAVG: 3852000 -36.8414 21.7508 28.8203 21.8354 28.674 7.55463 25.5444 12.3931 -27.5723 TIMING: 3852000 CPU: 11455.4, 0.00295669/step Wall: 11455.4, 0.00295669/step, 0.942855 hours remaining, 206.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3852000 768.4938 2133.8822 1908.9451 117.3773 -206091.5787 17742.3534 0.0000 0.0000 34094.0748 -149326.4520 297.7520 -183420.5268 -149239.4512 298.8472 -85.7355 -57.6672 557380.9988 -12.0477 -11.9132 PRESSURE: 3852200 -209.796 -103.352 70.0963 -103.352 -211.02 -9.10701 70.0962 -9.10576 -132.955 GPRESSURE: 3852200 -180.974 -169.026 142.568 -126.54 -209.505 -86.4659 17.1633 81.0009 -79.2388 PRESSAVG: 3852200 -3.85219 -11.2381 3.30967 -11.2381 24.4897 -21.8544 3.3096 -21.8545 19.9828 GPRESSAVG: 3852200 -3.08874 -11.4384 3.25919 -10.0474 23.231 -19.9687 2.90457 -24.6456 20.9667 TIMING: 3852200 CPU: 11456, 0.00293959/step Wall: 11456, 0.00293959/step, 0.937238 hours remaining, 206.980469 MB of memory in use. ENERGY: 3852200 771.0518 2084.0349 1923.2186 105.8845 -205933.7244 17550.4982 0.0000 0.0000 34265.9816 -149233.0548 299.2533 -183499.0364 -149136.6246 299.0690 -184.5903 -156.5728 557995.5294 13.5401 13.7030 LDB: ============= START OF LOAD BALANCING ============== 11459.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11459.5 LDB: =============== DONE WITH MIGRATION ================ 11459.5 LDB: ============= START OF LOAD BALANCING ============== 11459.8 LDB: Largest compute 4802 load 0.022618 is 19.1% of average load 0.118267 LDB: Average compute 0.001741 is 1.5% of average load 0.118267 LDB: TIME 11459.8 LOAD: AVG 0.118267 MAX 0.196778 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 11459.8 LOAD: AVG 0.118267 MAX 0.196778 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.316 MB LDB: TIME 11459.8 LOAD: AVG 0.118267 MAX 0.196778 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.316 MB LDB: ============== END OF LOAD BALANCING =============== 11459.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11459.9 PRESSURE: 3852400 -110.838 108.955 -79.1128 108.955 -174.616 50.799 -79.1129 50.8 130.416 GPRESSURE: 3852400 -78.3775 87.2962 -156.722 130.292 -88.7143 -2.53285 3.07792 189.883 121.043 PRESSAVG: 3852400 -10.7603 70.438 -48.4654 70.4381 -19.5752 -28.4715 -48.4654 -28.4715 3.64663 GPRESSAVG: 3852400 -11.7378 69.5569 -49.5409 71.7523 -18.3235 -31.338 -45.9799 -26.5666 3.63706 TIMING: 3852400 CPU: 11456.6, 0.00301642/step Wall: 11456.6, 0.00301642/step, 0.961566 hours remaining, 206.742188 MB of memory in use. ENERGY: 3852400 742.9526 2162.0278 1911.1713 129.6651 -206238.7978 17755.3134 0.0000 0.0000 34281.7801 -149255.8876 299.3913 -183537.6677 -149160.6050 299.9624 -51.6795 -15.3498 556755.8747 -8.8963 -8.8081 PRESSURE: 3852600 -103.971 -35.2557 47.4485 -35.2542 -36.9969 -81.4627 47.4477 -81.4638 -39.9104 GPRESSURE: 3852600 -84.1683 -0.683467 62.3192 -28.5782 6.50738 -27.2542 33.5824 -63.2081 10.081 PRESSAVG: 3852600 -10.3994 45.4309 -53.3848 45.4309 -50.2879 -34.1543 -53.3848 -34.1544 76.3761 GPRESSAVG: 3852600 -9.66227 44.7969 -52.9521 46.3495 -49.7734 -30.4042 -55.7444 -36.0918 75.906 TIMING: 3852600 CPU: 11457.2, 0.00295289/step Wall: 11457.2, 0.00295289/step, 0.941152 hours remaining, 206.742188 MB of memory in use. ENERGY: 3852600 746.2582 2101.8635 1888.9219 96.0281 -206173.2153 17859.8500 0.0000 0.0000 34293.0819 -149187.2116 299.4900 -183480.2936 -149090.0022 299.1704 -60.2929 -22.5266 557965.2255 5.2296 5.4901 PRESSURE: 3852800 198.62 -2.84986 -38.03 -2.85137 184.249 121.815 -38.0301 121.815 6.97616 GPRESSURE: 3852800 250.2 -25.9235 -122.036 12.1096 184.671 105.047 -0.326688 106.925 63.2414 PRESSAVG: 3852800 -43.0946 20.1925 -53.9331 20.1925 34.6861 38.8323 -53.9331 38.8321 -0.210256 GPRESSAVG: 3852800 -43.8262 21.4226 -55.4801 17.2548 34.1925 37.9519 -51.0765 37.3275 0.872339 TIMING: 3852800 CPU: 11457.8, 0.00295486/step Wall: 11457.8, 0.00295486/step, 0.941616 hours remaining, 206.742188 MB of memory in use. ENERGY: 3852800 722.1249 2123.8525 1886.1668 110.7235 -206298.7376 18024.2419 0.0000 0.0000 34267.8027 -149163.8253 299.2692 -183431.6280 -149068.3793 299.4173 129.9484 166.0373 556371.0643 -2.8729 -2.9205 PRESSURE: 3853000 40.5618 71.2201 -128.078 71.22 309.989 126.657 -128.08 126.659 76.0112 GPRESSURE: 3853000 110.367 107.849 -156.02 62.6905 322.725 164.903 -97.1996 159.468 104.113 PRESSAVG: 3853000 -8.85473 -5.19009 40.4055 -5.19016 51.3001 41.7875 40.4056 41.7874 -47.5104 GPRESSAVG: 3853000 -8.00533 -5.06648 41.4143 -6.84627 50.7825 43.0897 39.4038 42.9454 -47.97 TIMING: 3853000 CPU: 11458.4, 0.0029452/step Wall: 11458.4, 0.0029452/step, 0.938373 hours remaining, 206.742188 MB of memory in use. ENERGY: 3853000 713.7309 2143.2723 1926.9696 106.0496 -206548.3743 17918.2138 0.0000 0.0000 34430.6985 -149309.4396 300.6919 -183740.1381 -149207.8559 299.7251 142.1874 179.0682 555529.7478 -1.6883 -1.7309 PRESSURE: 3853200 -93.2376 -38.6682 -96.3153 -38.6681 57.8805 -133.703 -96.3152 -133.703 -206.903 GPRESSURE: 3853200 -39.9498 23.1306 -114.279 -121.937 92.5772 -127.616 -50.5194 -180.607 -187.62 PRESSAVG: 3853200 -20.0641 50.4278 2.89297 50.4277 76.3781 -47.3546 2.89296 -47.3546 -47.292 GPRESSAVG: 3853200 -20.2632 52.7624 3.20952 51.3898 76.1707 -50.9734 1.23924 -47.9226 -46.8102 TIMING: 3853200 CPU: 11459, 0.00296547/step Wall: 11459, 0.00296547/step, 0.944667 hours remaining, 206.742188 MB of memory in use. ENERGY: 3853200 746.1277 2095.9583 1935.7817 122.2793 -205568.0090 17574.7888 0.0000 0.0000 33936.7689 -149156.3043 296.3782 -183093.0732 -149063.1356 299.6582 -80.7533 -44.9975 558070.7859 3.0073 3.0324 PRESSURE: 3853400 103.46 126.037 -25.1185 126.036 96.3394 26.1825 -25.1179 26.1833 -88.6225 GPRESSURE: 3853400 51.0824 142.68 9.27783 134.545 140.705 123.283 -17.4683 92.3385 20.2645 PRESSAVG: 3853400 -16.0716 23.2526 -16.9201 23.2526 45.6355 27.6462 -16.9201 27.6462 -41.7871 GPRESSAVG: 3853400 -17.0852 22.5415 -18.2512 21.8358 46.4479 28.9804 -15.0228 29.5512 -41.5942 TIMING: 3853400 CPU: 11459.6, 0.00293482/step Wall: 11459.6, 0.00293482/step, 0.93474 hours remaining, 206.742188 MB of memory in use. ENERGY: 3853400 752.2183 2172.7731 1935.3931 108.9683 -206010.7707 17747.1754 0.0000 0.0000 34179.2472 -149114.9953 298.4959 -183294.2425 -149020.0820 299.2471 37.0589 70.6840 557120.9652 -4.0744 -4.0772 PRESSURE: 3853600 -17.3068 131.7 65.0365 131.7 -160.359 0.7414 65.0371 0.740384 -309.183 GPRESSURE: 3853600 -1.61438 119.982 129.523 146.856 -93.5909 111.686 65.1403 -29.06 -293.58 PRESSAVG: 3853600 50.5921 5.80006 19.8423 5.80021 16.9248 4.40638 19.8423 4.40638 -63.0851 GPRESSAVG: 3853600 51.9797 4.17841 21.4606 8.20519 15.315 4.72556 19.2171 2.64016 -62.9896 TIMING: 3853600 CPU: 11460.1, 0.00292772/step Wall: 11460.1, 0.00292772/step, 0.932316 hours remaining, 206.742188 MB of memory in use. ENERGY: 3853600 789.7548 2132.2158 1898.1454 111.6402 -205778.3434 17591.8366 0.0000 0.0000 34111.4429 -149143.3078 297.9037 -183254.7506 -149052.5569 299.8382 -162.2830 -129.5951 558130.7320 1.4773 1.4350 PRESSURE: 3853800 -283.293 -116.4 79.4571 -116.401 71.857 -16.1781 79.4587 -16.1768 -130.519 GPRESSURE: 3853800 -288.005 -62.8858 56.0951 -198.169 114.017 -35.2386 -40.4916 55.126 -74.1119 PRESSAVG: 3853800 60.6762 0.743383 25.4629 0.743366 -7.08439 29.6297 25.4629 29.6297 -54.3868 GPRESSAVG: 3853800 58.9451 1.37166 24.72 -0.0789512 -5.98397 28.7568 26.308 29.2893 -54.3324 TIMING: 3853800 CPU: 11460.7, 0.00292122/step Wall: 11460.7, 0.00292122/step, 0.930084 hours remaining, 206.742188 MB of memory in use. ENERGY: 3853800 754.7197 2116.3405 1934.6511 126.0066 -205965.4041 17533.7403 0.0000 0.0000 34363.2283 -149136.7177 300.1026 -183499.9460 -149035.5057 299.7770 -113.9848 -82.7000 557063.4052 -0.2650 -0.4571 PRESSURE: 3854000 94.8437 -0.180422 88.4869 -0.180521 -50.0979 -65.0437 88.4865 -65.0443 -46.1897 GPRESSURE: 3854000 145.114 -6.54629 92.067 99.6586 -35.5066 -206.091 56.3753 -11.9351 -21.9124 PRESSAVG: 3854000 -25.9462 -44.267 38.6257 -44.2671 18.3075 -20.6411 38.6256 -20.6411 17.8165 GPRESSAVG: 3854000 -25.3497 -43.044 39.2083 -45.0707 18.2794 -20.4188 36.3211 -19.1751 16.7005 TIMING: 3854000 CPU: 11461.3, 0.0029373/step Wall: 11461.3, 0.0029373/step, 0.935039 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3854000 730.2572 2146.6926 1899.8278 115.6350 -205609.6352 17575.5166 0.0000 0.0000 34139.7053 -149002.0007 298.1505 -183141.7060 -148907.8556 299.3226 -0.4813 29.2317 556457.7145 3.3926 3.2101 PRESSURE: 3854200 384.223 94.8761 39.8316 94.8764 -79.4288 -57.6181 39.8309 -57.6168 -182.188 GPRESSURE: 3854200 381.335 48.9342 37.7539 71.5745 -27.8767 -101.453 121.406 -7.82642 -139.798 PRESSAVG: 3854200 -51.4722 81.8123 2.16124 81.8123 18.8907 -20.6754 2.16132 -20.6754 4.81111 GPRESSAVG: 3854200 -51.7926 81.2744 4.03428 80.3992 17.5159 -22.1452 3.13816 -22.4027 6.35182 TIMING: 3854200 CPU: 11461.9, 0.0029283/step Wall: 11461.9, 0.0029283/step, 0.932012 hours remaining, 206.742188 MB of memory in use. ENERGY: 3854200 742.1887 2107.5374 1913.3050 101.1440 -206080.5496 17794.9538 0.0000 0.0000 34371.2694 -149050.1513 300.1728 -183421.4207 -148948.9778 299.8841 40.8688 71.2198 557076.4509 -9.2568 -9.3083 PRESSURE: 3854400 -41.4096 16.9067 -8.79399 16.9065 201.979 71.4809 -8.79327 71.4812 -201.845 GPRESSURE: 3854400 -32.6705 51.3622 63.0431 16.9331 187.333 9.24621 -53.8195 121.153 -94.5637 PRESSAVG: 3854400 78.8444 50.3634 70.1564 50.3633 -14.7884 -8.70548 70.1565 -8.70535 -55.2738 GPRESSAVG: 3854400 78.6145 48.5106 70.2477 52.6948 -13.3245 -8.34734 69.2946 -9.23848 -56.4937 TIMING: 3854400 CPU: 11462.5, 0.00292394/step Wall: 11462.5, 0.00292394/step, 0.930462 hours remaining, 206.742188 MB of memory in use. ENERGY: 3854400 720.0939 2099.7777 1921.8419 115.9383 -206202.7710 17733.8162 0.0000 0.0000 34442.0909 -149169.2120 300.7913 -183611.3029 -149072.0902 299.8328 -13.7586 20.0330 557110.8841 2.9274 2.9321 PRESSURE: 3854600 -308.634 89.4762 35.8197 89.4756 -88.6731 -82.0715 35.8194 -82.0722 -138.982 GPRESSURE: 3854600 -292.037 35.2509 -16.0698 56.3437 -27.6866 -62.1995 44.0753 -53.4717 -120.876 PRESSAVG: 3854600 45.0773 27.0549 -7.97141 27.0549 40.7386 31.3296 -7.97143 31.3296 -92.9065 GPRESSAVG: 3854600 45.4011 29.9701 -10.005 25.3933 40.2031 32.0326 -5.53323 32.1161 -92.6902 TIMING: 3854600 CPU: 11463.1, 0.00291507/step Wall: 11463.1, 0.00291507/step, 0.927479 hours remaining, 206.742188 MB of memory in use. ENERGY: 3854600 792.1701 2096.6823 1907.6082 101.4332 -205816.6602 17505.0568 0.0000 0.0000 34068.2566 -149345.4530 297.5266 -183413.7096 -149255.3045 299.3228 -178.7629 -146.8665 556015.8383 -2.3635 -2.3620 PRESSURE: 3854800 55.1336 74.3685 -59.6363 74.3694 -23.7552 -168.222 -59.6365 -168.222 -313.366 GPRESSURE: 3854800 83.1879 35.9336 -82.4273 77.8832 -19.6626 -265.671 -59.2878 -137.045 -257.467 PRESSAVG: 3854800 -21.9819 13.5664 -23.1361 13.5663 88.1401 -21.6752 -23.1361 -21.6751 -40.1183 GPRESSAVG: 3854800 -21.8506 10.4876 -22.2746 15.9833 87.7803 -20.9185 -26.1164 -21.7333 -40.0141 TIMING: 3854800 CPU: 11463.7, 0.00293236/step Wall: 11463.7, 0.00293236/step, 0.932816 hours remaining, 206.742188 MB of memory in use. ENERGY: 3854800 713.4843 2118.6753 1915.0376 109.5145 -206382.5758 17839.6219 0.0000 0.0000 34416.7020 -149269.5401 300.5696 -183686.2421 -149167.6766 299.0296 -93.9958 -64.6471 558161.6036 8.6799 8.6385 PRESSURE: 3855000 -189.532 -21.2018 -103.46 -21.2018 -243.263 61.0622 -103.462 61.0638 -233.824 GPRESSURE: 3855000 -157.477 48.0995 -56.0264 34.9968 -173.722 27.6773 -69.3453 36.0071 -238.798 PRESSAVG: 3855000 45.7259 -6.62111 -61.2941 -6.62122 -20.2628 -1.88579 -61.2942 -1.88574 -34.569 GPRESSAVG: 3855000 46.6296 -4.93838 -62.1791 -8.19401 -20.1196 -2.25797 -59.8471 -1.30863 -36.0545 TIMING: 3855000 CPU: 11464.2, 0.00294757/step Wall: 11464.2, 0.00294757/step, 0.93749 hours remaining, 206.742188 MB of memory in use. ENERGY: 3855000 736.9312 2127.6000 1937.8215 116.8090 -205691.3672 17395.4490 0.0000 0.0000 34219.7879 -149156.9686 298.8499 -183376.7565 -149055.4985 298.9688 -222.2061 -189.9990 557765.1801 -3.0353 -3.1815 PRESSURE: 3855200 261.804 113.883 -106.892 113.886 344.286 6.57349 -106.891 6.57267 379.052 GPRESSURE: 3855200 296.862 111.539 -60.578 208.183 360.447 54.985 -94.08 8.55412 411.274 PRESSAVG: 3855200 -42.0859 51.7251 -43.8409 51.7251 33.7943 23.2839 -43.8409 23.2839 -5.85642 GPRESSAVG: 3855200 -43.1989 52.5451 -45.003 50.981 33.5694 24.1281 -42.3855 21.5118 -4.20349 TIMING: 3855200 CPU: 11464.8, 0.00293956/step Wall: 11464.8, 0.00293956/step, 0.934779 hours remaining, 206.742188 MB of memory in use. ENERGY: 3855200 734.0188 2104.5519 1942.7408 112.3138 -206744.5009 18369.3438 0.0000 0.0000 34298.3914 -149183.1406 299.5364 -183481.5319 -149087.1939 299.1119 328.3806 356.1943 557314.6241 -4.7160 -4.6110 PRESSURE: 3855400 155.524 47.599 57.5045 47.5987 19.8668 -65.8579 57.5054 -65.8574 -70.7759 GPRESSURE: 3855400 163.032 48.4245 59.0288 81.1478 65.7777 -151.359 7.449 53.9875 -36.8054 PRESSAVG: 3855400 -7.94985 11.7628 -18.636 11.7629 14.9669 34.3258 -18.6358 34.3257 -0.674078 GPRESSAVG: 3855400 -6.45005 10.4441 -18.6975 12.8914 15.4321 33.0372 -19.0648 36.3491 -2.49707 TIMING: 3855400 CPU: 11465.4, 0.00293245/step Wall: 11465.4, 0.00293245/step, 0.932357 hours remaining, 206.742188 MB of memory in use. ENERGY: 3855400 751.5515 2063.7988 1933.9313 122.5191 -206152.9181 17902.2179 0.0000 0.0000 34269.2498 -149109.6498 299.2819 -183378.8996 -149020.3319 299.3113 34.8715 64.0014 557599.2291 2.1143 2.1617 PRESSURE: 3855600 -225.291 -42.8679 44.8532 -42.8677 -80.9209 126.465 44.8531 126.466 195.13 GPRESSURE: 3855600 -163.467 15.0294 53.1917 -97.5163 -81.9185 125.006 68.1883 105.543 234.367 PRESSAVG: 3855600 27.0949 -53.9093 35.3015 -53.9093 -0.228575 49.6214 35.3014 49.6214 16.1134 GPRESSAVG: 3855600 25.5367 -54.4606 35.4653 -52.6774 1.30073 48.5724 34.458 48.2925 16.4149 TIMING: 3855600 CPU: 11466, 0.00295326/step Wall: 11466, 0.00295326/step, 0.938807 hours remaining, 206.742188 MB of memory in use. ENERGY: 3855600 777.3913 2100.2131 1910.4172 114.9128 -206084.1275 17786.4879 0.0000 0.0000 34221.8137 -149172.8916 298.8676 -183394.7052 -149081.9348 299.6482 -37.0272 -3.6727 558456.2415 14.3266 14.4174 PRESSURE: 3855800 -75.9481 4.46518 163.176 4.46539 -32.4785 -25.1713 163.175 -25.1723 -140.081 GPRESSURE: 3855800 -85.185 -68.242 217.779 43.5906 -14.331 -7.45997 227.617 -28.4042 -50.0092 PRESSAVG: 3855800 9.50519 0.394846 67.262 0.394852 -10.3445 54.562 67.262 54.562 15.0822 GPRESSAVG: 3855800 9.56142 0.4046 68.5023 -0.478003 -11.6161 55.8921 66.0254 54.8166 16.4296 TIMING: 3855800 CPU: 11466.6, 0.00293077/step Wall: 11466.6, 0.00293077/step, 0.931497 hours remaining, 206.742188 MB of memory in use. ENERGY: 3855800 789.2589 2084.3317 1927.1839 114.0929 -206102.1638 17801.1695 0.0000 0.0000 34192.1054 -149194.0217 298.6082 -183386.1270 -149089.3763 299.1921 -82.8360 -49.8417 558890.2808 4.7476 4.7917 PRESSURE: 3856000 103.988 32.1802 6.62263 32.1793 159.319 9.38601 6.62302 9.38503 8.50811 GPRESSURE: 3856000 89.4184 72.4062 -28.2348 62.5739 192.632 54.3442 -18.1795 19.6711 80.3338 PRESSAVG: 3856000 12.7238 19.4835 -1.65188 19.4835 68.7791 -23.2731 -1.65178 -23.2732 11.9726 GPRESSAVG: 3856000 13.778 20.195 -0.816134 19.091 68.4071 -22.7984 -1.69655 -23.8618 11.3434 TIMING: 3856000 CPU: 11467.2, 0.00293157/step Wall: 11467.2, 0.00293157/step, 0.931587 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3856000 732.1535 2089.4759 1943.1746 117.2048 -206269.8896 17941.0704 0.0000 0.0000 34203.5067 -149243.3036 298.7077 -183446.8103 -149150.8591 298.8843 90.6049 120.7947 556310.4862 31.1585 31.1762 PRESSURE: 3856200 -99.6973 7.91932 31.3519 7.91853 -424.468 0.431463 31.3513 0.432665 -66.0914 GPRESSURE: 3856200 -65.7292 15.1518 70.8001 24.4674 -370.803 16.6068 15.3861 117.642 -52.2741 PRESSAVG: 3856200 -1.02527 -6.46975 20.6194 -6.46971 -2.14785 45.0812 20.6194 45.0812 -15.2275 GPRESSAVG: 3856200 -0.987961 -5.72615 20.0753 -6.91508 -1.17969 45.5727 20.2806 45.1357 -15.7336 TIMING: 3856200 CPU: 11467.8, 0.00294813/step Wall: 11467.8, 0.00294813/step, 0.936687 hours remaining, 206.742188 MB of memory in use. ENERGY: 3856200 757.3361 2077.9976 1941.4202 108.0201 -205816.5919 17480.9972 0.0000 0.0000 34324.3967 -149126.4242 299.7635 -183450.8209 -149032.2601 298.9676 -196.7522 -162.9355 557546.0869 -6.1335 -5.9671 LDB: ============= START OF LOAD BALANCING ============== 11471.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11471.3 LDB: =============== DONE WITH MIGRATION ================ 11471.3 LDB: ============= START OF LOAD BALANCING ============== 11471.6 LDB: Largest compute 4801 load 0.022582 is 19.1% of average load 0.118343 LDB: Average compute 0.001744 is 1.5% of average load 0.118343 LDB: TIME 11471.6 LOAD: AVG 0.118343 MAX 0.198076 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 11471.6 LOAD: AVG 0.118343 MAX 0.198076 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.805 MB LDB: TIME 11471.6 LOAD: AVG 0.118343 MAX 0.198076 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.805 MB LDB: ============== END OF LOAD BALANCING =============== 11471.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11471.6 PRESSURE: 3856400 -93.0911 117.98 -106.57 117.979 -110.801 60.5066 -106.571 60.5072 62.6488 GPRESSURE: 3856400 -18.7775 79.9708 -165.363 141.398 -117.599 102.924 -34.5816 119.683 100.514 PRESSAVG: 3856400 -15.1365 32.3788 15.3033 32.3789 17.4753 26.7673 15.3034 26.7674 20.7087 GPRESSAVG: 3856400 -17.0105 30.9819 14.5425 30.885 17.1679 26.6172 15.1048 26.1086 22.5168 TIMING: 3856400 CPU: 11468.4, 0.00298899/step Wall: 11468.4, 0.00298899/step, 0.949503 hours remaining, 206.742188 MB of memory in use. ENERGY: 3856400 776.1360 2070.7917 1933.1581 112.2547 -205820.3073 17626.6780 0.0000 0.0000 34214.5115 -149086.7773 298.8038 -183301.2888 -148988.2724 299.5119 -47.0812 -11.9542 557696.9963 7.6825 7.5581 PRESSURE: 3856600 -45.8241 -14.7704 -120.438 -14.7689 20.339 -114.376 -120.438 -114.375 47.0165 GPRESSURE: 3856600 -14.9424 -79.1818 -172.139 75.4726 77.8081 -162 -33.5855 -95.0477 65.8808 PRESSAVG: 3856600 -21.7412 -24.4371 -1.6406 -24.437 13.6782 24.7583 -1.64055 24.7583 27.4831 GPRESSAVG: 3856600 -20.6476 -21.3338 -2.73613 -23.3368 12.5019 22.9427 -1.55379 26.7905 27.8708 TIMING: 3856600 CPU: 11469, 0.00293851/step Wall: 11469, 0.00293851/step, 0.933304 hours remaining, 206.742188 MB of memory in use. ENERGY: 3856600 759.2218 2054.2961 1949.8158 110.1128 -205997.0498 17789.8247 0.0000 0.0000 34242.3987 -149091.3800 299.0474 -183333.7787 -148996.8371 300.0737 7.1771 42.9155 556933.9194 6.4734 6.5750 PRESSURE: 3856800 -180.172 -61.6119 0.21615 -61.6115 -73.3884 -42.1627 0.216806 -42.1607 -225.318 GPRESSURE: 3856800 -133.754 32.0962 -1.8554 -88.4776 -52.1058 -48.7448 -26.3359 -66.5605 -203.627 PRESSAVG: 3856800 -9.78471 -26.1068 10.342 -26.1068 43.7943 -7.29766 10.342 -7.29768 -8.66537 GPRESSAVG: 3856800 -10.7562 -25.9615 10.7648 -24.9314 45.2665 -6.41889 12.9426 -6.81909 -9.59957 TIMING: 3856800 CPU: 11469.5, 0.00293585/step Wall: 11469.5, 0.00293585/step, 0.932295 hours remaining, 206.800781 MB of memory in use. ENERGY: 3856800 717.4351 2151.4191 1920.9494 124.9706 -205846.6694 17535.6216 0.0000 0.0000 34412.6613 -148983.6122 300.5343 -183396.2736 -148888.2246 300.2506 -159.6261 -129.8291 558884.0774 8.4481 8.3036 PRESSURE: 3857000 -325.3 -26.8652 -85.4334 -26.8647 2.33668 -96.8281 -85.4338 -96.8268 -24.4035 GPRESSURE: 3857000 -242.488 -7.88663 -192.058 -31.8573 -3.511 -227.202 -33.682 -83.6165 -8.68766 PRESSAVG: 3857000 -28.2909 -58.2819 6.48885 -58.2818 36.8479 -0.594419 6.48889 -0.594424 28.3725 GPRESSAVG: 3857000 -28.5478 -60.2863 7.09271 -58.2378 36.8424 -1.3626 3.34197 -2.19744 28.7671 TIMING: 3857000 CPU: 11470.1, 0.00296344/step Wall: 11470.1, 0.00296344/step, 0.940892 hours remaining, 206.800781 MB of memory in use. ENERGY: 3857000 720.3927 2081.9854 1947.4770 115.8802 -205743.2844 17590.6678 0.0000 0.0000 34252.3920 -149034.4893 299.1347 -183286.8813 -148943.2097 299.6291 -115.7888 -84.8957 558651.4338 12.3098 12.3539 PRESSURE: 3857200 -52.2212 -83.1973 -146.562 -83.1985 -329.667 117.715 -146.562 117.715 123.891 GPRESSURE: 3857200 -24.3776 -228.401 -150.277 -56.2278 -264.702 22.8032 -78.6275 110.506 140.536 PRESSAVG: 3857200 40.0572 -61.2176 -79.174 -61.2177 -40.9291 20.367 -79.174 20.3669 30.8712 GPRESSAVG: 3857200 39.8583 -61.2753 -79.1619 -63.1102 -40.6979 20.6486 -78.5636 21.6984 30.7186 TIMING: 3857200 CPU: 11470.7, 0.00296513/step Wall: 11470.7, 0.00296513/step, 0.941263 hours remaining, 206.800781 MB of memory in use. ENERGY: 3857200 759.3650 2097.8912 1924.1100 117.5435 -206050.6274 17809.4454 0.0000 0.0000 34274.0222 -149068.2500 299.3236 -183342.2722 -148966.2250 299.8090 -85.9990 -49.5146 558972.3351 9.9998 9.9597 PRESSURE: 3857400 -24.4731 41.7158 -8.90591 41.7153 62.8145 170.864 -8.90556 170.863 243.463 GPRESSURE: 3857400 -3.6106 141.12 -91.5835 2.28353 89.4021 153.97 36.6088 182.513 292.181 PRESSAVG: 3857400 -30.7118 -35.3531 -74.9357 -35.3532 5.45433 16.786 -74.9356 16.7859 24.6184 GPRESSAVG: 3857400 -28.9909 -37.7728 -75.7425 -33.2826 3.35755 16.6795 -74.1681 15.1006 25.2895 TIMING: 3857400 CPU: 11471.3, 0.00295415/step Wall: 11471.3, 0.00295415/step, 0.937614 hours remaining, 206.800781 MB of memory in use. ENERGY: 3857400 733.2488 2161.6136 1881.5607 107.9643 -206193.9493 17961.0009 0.0000 0.0000 34292.6430 -149055.9179 299.4862 -183348.5610 -148967.7084 300.2528 93.9348 125.9908 558552.0024 -0.2130 -0.1146 PRESSURE: 3857600 -96.4081 68.8559 176.695 68.8552 -96.1644 -26.8588 176.695 -26.8598 71.6771 GPRESSURE: 3857600 5.53659 -28.8017 169.104 81.1062 -112.62 -88.5786 146.462 49.1829 83.6377 PRESSAVG: 3857600 -40.7417 60.9668 -64.3351 60.9668 18.3173 -1.24493 -64.3351 -1.24485 69.8109 GPRESSAVG: 3857600 -41.6705 63.0286 -60.6719 59.1714 19.4343 1.37104 -65.9539 -2.02019 69.1574 TIMING: 3857600 CPU: 11471.9, 0.00296401/step Wall: 11471.9, 0.00296401/step, 0.94058 hours remaining, 206.800781 MB of memory in use. ENERGY: 3857600 754.1614 2115.9252 1889.8531 109.4872 -206260.7547 17828.4201 0.0000 0.0000 34472.6671 -149090.2406 301.0584 -183562.9077 -148987.9316 300.1159 -40.2985 -7.8153 557311.4725 15.7955 15.6404 PRESSURE: 3857800 516.505 -7.68391 117.039 -7.68418 367.384 18.4588 117.038 18.4586 254.125 GPRESSURE: 3857800 490.431 20.3738 55.5438 -63.0742 445.033 59.2431 24.4949 47.2647 306.182 PRESSAVG: 3857800 -19.5033 -50.7909 5.00258 -50.7908 89.0408 -52.538 5.00256 -52.5381 -1.28571 GPRESSAVG: 3857800 -19.8076 -50.7596 3.61116 -51.4112 88.9964 -55.6105 4.28902 -51.7483 -0.802222 TIMING: 3857800 CPU: 11472.5, 0.0029561/step Wall: 11472.5, 0.0029561/step, 0.937904 hours remaining, 206.800781 MB of memory in use. ENERGY: 3857800 732.6323 2087.1319 1920.3195 119.3544 -206524.4444 18299.4056 0.0000 0.0000 34230.5057 -149135.0950 298.9435 -183365.6007 -149031.1639 300.0440 379.3381 413.8820 556454.5254 22.7506 22.7955 PRESSURE: 3858000 -138.637 36.3416 -10.945 36.3404 176.336 -93.3568 -10.9448 -93.3551 18.5075 GPRESSURE: 3858000 -110.132 63.3313 5.36944 38.8948 237.009 -66.2042 -45.3888 -13.9506 8.36275 PRESSAVG: 3858000 20.522 -34.518 -9.29314 -34.5179 -38.912 51.2445 -9.29307 51.2444 -8.99911 GPRESSAVG: 3858000 20.9324 -33.8868 -9.14782 -33.4489 -38.1916 53.6676 -8.49991 50.968 -10.0485 TIMING: 3858000 CPU: 11473.1, 0.00294267/step Wall: 11473.1, 0.00294267/step, 0.93348 hours remaining, 206.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3858000 741.9501 2110.6053 1951.9977 141.2843 -206229.2467 17915.2359 0.0000 0.0000 34281.5337 -149086.6397 299.3892 -183368.1734 -148992.0849 299.0973 18.7358 45.0799 557679.5197 -9.1297 -9.1026 PRESSURE: 3858200 -160.687 -50.1229 -283.032 -50.1243 -7.36916 127.122 -283.032 127.124 -100.954 GPRESSURE: 3858200 -109.916 -44.7007 -263.672 -57.963 23.7135 171.859 -294.639 86.8104 -86.4814 PRESSAVG: 3858200 -45.73 5.0406 -13.4021 5.04062 22.1816 -47.3282 -13.4022 -47.3282 21.3225 GPRESSAVG: 3858200 -45.4814 4.46797 -11.9464 3.15472 21.4547 -48.0153 -12.9758 -48.2128 22.3099 TIMING: 3858200 CPU: 11473.7, 0.00293074/step Wall: 11473.7, 0.00293074/step, 0.929533 hours remaining, 206.867188 MB of memory in use. ENERGY: 3858200 735.9370 2113.6421 1934.3853 115.3477 -205801.2492 17789.3528 0.0000 0.0000 34092.3712 -149020.2131 297.7372 -183112.5843 -148918.4308 299.3137 -89.6698 -57.5614 559069.4765 -0.7420 -0.5723 PRESSURE: 3858400 -235.135 23.5072 -204.635 23.5061 30.5031 115.911 -204.634 115.911 215.366 GPRESSURE: 3858400 -173.498 104.261 -263.993 -28.1421 76.873 107.221 -189.507 125.829 195.14 PRESSAVG: 3858400 22.3404 -28.0453 -10.3777 -28.0454 -29.9544 10.3188 -10.3778 10.3187 21.095 GPRESSAVG: 3858400 21.4798 -26.7959 -14.4758 -27.455 -29.5998 9.38499 -8.62028 13.1619 21.1008 TIMING: 3858400 CPU: 11474.3, 0.00292322/step Wall: 11474.3, 0.00292322/step, 0.926984 hours remaining, 206.867188 MB of memory in use. ENERGY: 3858400 739.8965 2107.2659 1940.2316 115.7860 -205944.5759 17674.3614 0.0000 0.0000 34281.6405 -149085.3939 299.3901 -183367.0345 -148987.8070 299.4054 3.5781 32.8383 558308.1838 4.4937 4.3269 PRESSURE: 3858600 -8.29128 -86.6643 16.5807 -86.664 -52.5838 -1.74887 16.5809 -1.74875 23.9189 GPRESSURE: 3858600 -29.1053 -162.619 -54.3513 1.23723 13.9144 -26.207 11.3972 -5.35947 67.0447 PRESSAVG: 3858600 -9.76135 15.0867 -2.68733 15.0868 -10.1827 41.7669 -2.68741 41.7667 10.9711 GPRESSAVG: 3858600 -10.5181 15.0672 -1.09105 16.4667 -10.6538 39.6221 -4.63948 41.2377 12.1688 TIMING: 3858600 CPU: 11474.8, 0.00292378/step Wall: 11474.8, 0.00292378/step, 0.927002 hours remaining, 206.867188 MB of memory in use. ENERGY: 3858600 757.9569 2099.7889 1934.8920 129.8194 -206392.5078 17793.6416 0.0000 0.0000 34471.1657 -149205.2433 301.0453 -183676.4090 -149106.5214 300.2253 -12.3187 17.2846 556502.1231 -2.9910 -3.0011 PRESSURE: 3858800 222.224 -108.423 -129.054 -108.422 432.053 -24.8086 -129.055 -24.809 -11.9557 GPRESSURE: 3858800 312.979 -28.0704 -193.151 -101.502 432.97 8.96395 -57.6925 -41.4601 -5.34056 PRESSAVG: 3858800 24.9027 -13.5373 -49.5398 -13.5373 10.2208 64.517 -49.5396 64.517 -44.2107 GPRESSAVG: 3858800 26.0054 -13.6734 -49.6735 -13.4395 9.26617 67.6965 -49.3962 63.7266 -44.9264 TIMING: 3858800 CPU: 11475.4, 0.00290885/step Wall: 11475.4, 0.00290885/step, 0.922105 hours remaining, 206.867188 MB of memory in use. ENERGY: 3858800 761.7177 2081.3159 1928.7071 112.8679 -206912.8602 18147.8533 0.0000 0.0000 34570.9568 -149309.4415 301.9168 -183880.3984 -149215.5260 300.5673 214.1070 246.8696 553900.0942 -3.0291 -3.2183 PRESSURE: 3859000 -18.8454 -41.3485 24.5616 -41.3482 -99.8312 -2.42069 24.5609 -2.42324 205.581 GPRESSURE: 3859000 -4.26978 -66.6053 -63.0131 -39.1807 -18.6474 -39.4832 47.4746 99.1337 205.219 PRESSAVG: 3859000 -15.6774 -29.546 -34.3268 -29.5461 6.35191 39.6163 -34.3268 39.6164 95.3005 GPRESSAVG: 3859000 -16.2078 -31.2736 -32.0465 -29.3147 6.96321 38.6647 -35.0529 39.8805 94.9431 TIMING: 3859000 CPU: 11476, 0.00290573/step Wall: 11476, 0.00290573/step, 0.920956 hours remaining, 206.867188 MB of memory in use. ENERGY: 3859000 718.7902 2129.7626 1906.6026 122.5266 -206031.0616 17640.4094 0.0000 0.0000 34313.4220 -149199.5482 299.6676 -183512.9702 -149110.3640 300.1373 28.9683 60.7671 556252.6360 28.6583 28.5662 PRESSURE: 3859200 171.764 -166.947 -3.81058 -166.948 -204.355 173.078 -3.81101 173.075 178.602 GPRESSURE: 3859200 203.574 -99.7743 -24.3407 -170.181 -167.705 124.738 -20.8437 177.347 207.507 PRESSAVG: 3859200 -21.6066 -24.6192 18.2108 -24.6191 -46.4546 -20.5316 18.2109 -20.5316 50.1572 GPRESSAVG: 3859200 -21.2729 -22.1202 16.7849 -24.0489 -45.9521 -20.859 18.9538 -19.7273 49.2202 TIMING: 3859200 CPU: 11476.6, 0.00293842/step Wall: 11476.6, 0.00293842/step, 0.931153 hours remaining, 206.867188 MB of memory in use. ENERGY: 3859200 735.5749 2119.1201 1920.5919 116.2386 -206132.8687 17686.7922 0.0000 0.0000 34278.9897 -149275.5613 299.3669 -183554.5510 -149181.7593 299.8740 48.6700 81.1253 555942.6669 -5.9680 -6.0016 PRESSURE: 3859400 247.57 115.241 107.583 115.243 63.0504 11.3334 107.584 11.3326 232.01 GPRESSURE: 3859400 293.759 103.536 155.136 114.243 127.571 -75.4315 131.272 60.6042 211.562 PRESSAVG: 3859400 8.16394 -61.1088 27.3451 -61.1088 -59.4214 -9.88957 27.3452 -9.8895 39.4089 GPRESSAVG: 3859400 8.96233 -62.8104 27.7178 -59.7865 -60.7616 -9.74745 25.6533 -11.8793 39.6913 TIMING: 3859400 CPU: 11477.2, 0.00293459/step Wall: 11477.2, 0.00293459/step, 0.929777 hours remaining, 206.867188 MB of memory in use. ENERGY: 3859400 702.3250 2171.8235 1950.1116 116.5695 -206467.1509 17892.4701 0.0000 0.0000 34300.2998 -149333.5513 299.5530 -183633.8511 -149236.2192 299.1226 180.8766 210.9640 554938.0003 -3.9495 -4.0360 PRESSURE: 3859600 74.1465 11.0167 47.7809 11.0167 211.161 -39.4685 47.7808 -39.4689 357.637 GPRESSURE: 3859600 88.393 14.6244 -18.3076 39.4945 263.922 -40.7661 7.43987 -16.9266 387.373 PRESSAVG: 3859600 -2.51407 -7.61401 17.0551 -7.61399 1.6966 -63.4826 17.0552 -63.4826 30.1249 GPRESSAVG: 3859600 -2.83628 -5.29515 19.1528 -9.06346 1.62065 -61.4774 17.0071 -63.8025 29.9889 TIMING: 3859600 CPU: 11477.8, 0.00293807/step Wall: 11477.8, 0.00293807/step, 0.930714 hours remaining, 206.867188 MB of memory in use. ENERGY: 3859600 779.7714 2114.3729 1926.7097 124.5691 -206350.0568 18138.3392 0.0000 0.0000 34037.8656 -149228.4289 297.2611 -183266.2945 -149134.2449 299.1330 214.3147 246.5626 556263.6483 9.7692 9.5911 PRESSURE: 3859800 45.6405 38.5185 -111.989 38.5181 -60.2052 73.5928 -111.989 73.594 -52.9615 GPRESSURE: 3859800 42.0536 73.0649 -183.392 62.3955 14.1858 122.989 -120.943 32.2907 -21.9572 PRESSAVG: 3859800 63.5493 54.0732 33.4686 54.0732 6.82146 -53.7911 33.4686 -53.7911 -88.2709 GPRESSAVG: 3859800 61.9747 53.1988 31.843 54.2652 7.69869 -55.5725 33.9309 -52.8784 -87.5759 TIMING: 3859800 CPU: 11478.4, 0.00294123/step Wall: 11478.4, 0.00294123/step, 0.931554 hours remaining, 206.867188 MB of memory in use. ENERGY: 3859800 759.5736 2140.7781 1920.9102 114.4177 -206467.6430 17883.7026 0.0000 0.0000 34360.4542 -149287.8067 300.0784 -183648.2609 -149193.3360 299.6848 -22.5087 11.4274 557401.7856 -5.9667 -5.9675 PRESSURE: 3860000 187.611 -117.372 -15.3581 -117.373 194.477 22.0121 -15.3592 22.0126 45.6428 GPRESSURE: 3860000 238.154 -93.7276 64.4616 -145.421 218.426 51.3931 31.4425 6.12028 60.5505 PRESSAVG: 3860000 3.89761 5.90268 70.1802 5.90273 6.20853 -15.0729 70.1802 -15.0729 -49.4762 GPRESSAVG: 3860000 3.93821 7.10968 69.899 4.70466 5.5983 -14.2553 70.0874 -15.9718 -48.6821 TIMING: 3860000 CPU: 11478.9, 0.0029325/step Wall: 11478.9, 0.0029325/step, 0.928626 hours remaining, 206.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3860000 740.5109 2111.1396 1898.3302 121.3565 -206436.3029 18025.5255 0.0000 0.0000 34099.0945 -149440.3457 297.7959 -183539.4402 -149341.1071 298.9560 142.5772 172.3767 557340.8415 -13.1234 -13.0485 PRESSURE: 3860200 -214.367 41.3725 53.6007 41.3724 -174.98 -54.0419 53.6014 -54.0417 -119.83 GPRESSURE: 3860200 -176.587 -8.6789 28.19 153.359 -128.142 -68.1279 88.4999 -97.3627 -101.25 PRESSAVG: 3860200 -80.3787 -25.1379 9.38179 -25.138 68.8042 -5.21665 9.38193 -5.2167 12.6739 GPRESSAVG: 3860200 -79.5257 -28.2597 9.23527 -23.2489 68.8163 -5.90733 9.88658 -3.44348 12.0063 TIMING: 3860200 CPU: 11479.5, 0.00291853/step Wall: 11479.5, 0.00291853/step, 0.924039 hours remaining, 206.867188 MB of memory in use. ENERGY: 3860200 738.6751 2137.6948 1935.9011 112.0848 -206029.2350 17502.2624 0.0000 0.0000 34165.8042 -149436.8126 298.3785 -183602.6168 -149342.7921 298.4937 -169.7257 -135.3263 557033.6117 0.3665 0.4323 LDB: ============= START OF LOAD BALANCING ============== 11483.1 LDB: ============== END OF LOAD BALANCING =============== 11483.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11483.1 LDB: ============= START OF LOAD BALANCING ============== 11483.4 LDB: Largest compute 4801 load 0.022174 is 18.7% of average load 0.118300 LDB: Average compute 0.001740 is 1.5% of average load 0.118300 LDB: TIME 11483.4 LOAD: AVG 0.1183 MAX 0.196358 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.535 MB LDB: TIME 11483.4 LOAD: AVG 0.1183 MAX 0.196358 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.535 MB LDB: TIME 11483.4 LOAD: AVG 0.1183 MAX 0.196358 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.535 MB LDB: ============== END OF LOAD BALANCING =============== 11483.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11483.4 PRESSURE: 3860400 -286.298 -65.0982 19.9986 -65.0985 -145.979 172.903 19.9999 172.904 -71.871 GPRESSURE: 3860400 -308.437 -120.502 -5.30529 -5.72725 -99.794 181.065 -12.4821 167.821 3.88147 PRESSAVG: 3860400 -25.5709 2.59994 -28.189 2.5999 2.46559 -58.8169 -28.189 -58.8171 -8.85337 GPRESSAVG: 3860400 -26.4649 3.93174 -28.6499 0.701468 3.72511 -59.3181 -27.5061 -59.4168 -9.53342 TIMING: 3860400 CPU: 11480.1, 0.00298651/step Wall: 11480.1, 0.00298651/step, 0.945395 hours remaining, 207.050781 MB of memory in use. ENERGY: 3860400 756.3647 2125.4556 1941.9579 118.4409 -206523.4881 17729.2305 0.0000 0.0000 34331.8955 -149520.1430 299.8290 -183852.0385 -149417.8365 298.8323 -168.0492 -134.7832 556928.8588 -10.6529 -10.7577 PRESSURE: 3860600 516.194 -2.46309 70.0392 -2.46345 180.469 -72.9048 70.038 -72.9058 121.075 GPRESSURE: 3860600 558.792 -77.4305 129.129 49.8332 238.515 -31.9138 77.8013 -31.3711 131.973 PRESSAVG: 3860600 18.3809 2.49275 23.8869 2.49279 -8.15207 -20.6321 23.8869 -20.6323 -14.0091 GPRESSAVG: 3860600 19.0003 2.73738 24.0984 5.03289 -8.37394 -20.0629 22.9553 -20.0259 -14.7907 TIMING: 3860600 CPU: 11480.7, 0.00292126/step Wall: 11480.7, 0.00292126/step, 0.924578 hours remaining, 207.250000 MB of memory in use. ENERGY: 3860600 723.0584 2153.2937 1888.5228 104.8303 -207137.8541 18424.2721 0.0000 0.0000 34340.5322 -149503.3446 299.9044 -183843.8768 -149405.6312 298.8003 272.5792 309.7602 557061.4528 -1.2601 -1.3881 PRESSURE: 3860800 -75.6626 -79.3629 162.569 -79.3635 -61.495 55.5429 162.571 55.5432 -145.457 GPRESSURE: 3860800 -77.4287 -0.894821 163.964 -174.69 -31.5078 43.6093 216.412 135.315 -73.8245 PRESSAVG: 3860800 27.4592 -33.3675 0.215954 -33.3676 -43.5702 2.43111 0.215997 2.43119 2.88206 GPRESSAVG: 3860800 27.3819 -32.7841 1.4204 -35.8024 -45.4177 2.04187 -0.240551 1.33696 4.6669 TIMING: 3860800 CPU: 11481.3, 0.00292693/step Wall: 11481.3, 0.00292693/step, 0.92621 hours remaining, 207.250000 MB of memory in use. ENERGY: 3860800 735.6060 2076.3079 1927.3823 118.4156 -206069.8361 17762.5150 0.0000 0.0000 34066.2094 -149383.3999 297.5087 -183449.6093 -149289.7864 298.8093 -94.2048 -60.9203 558110.6298 -4.4097 -4.4563 PRESSURE: 3861000 -389.872 184.216 -77.3996 184.216 -77.0045 -106.229 -77.3992 -106.23 -134.305 GPRESSURE: 3861000 -306.006 175.871 -51.3435 140.089 -47.6842 -112.996 -26.8176 -17.0653 -142.609 PRESSAVG: 3861000 -29.0622 3.15495 -26.3514 3.155 39.4185 -19.6407 -26.3514 -19.6408 54.4643 GPRESSAVG: 3861000 -28.8101 4.09612 -28.9187 3.19413 40.8553 -19.358 -25.1526 -18.6143 53.2321 TIMING: 3861000 CPU: 11481.9, 0.00295122/step Wall: 11481.9, 0.00295122/step, 0.933734 hours remaining, 207.250000 MB of memory in use. ENERGY: 3861000 763.0519 2086.7129 1930.8871 109.7610 -205905.2154 17658.5061 0.0000 0.0000 33977.5697 -149378.7267 296.7346 -183356.2964 -149280.1567 298.8150 -200.3938 -165.4333 558498.6843 21.6069 21.7591 PRESSURE: 3861200 -296.14 137.09 80.4669 137.09 67.5779 -34.1554 80.4647 -34.1535 -8.14708 GPRESSURE: 3861200 -253.322 122.777 83.6099 101.258 40.1687 -58.4237 40.2136 -30.4301 70.0217 PRESSAVG: 3861200 -44.5182 52.338 0.991724 52.338 82.9462 13.4358 0.991673 13.4357 -32.6478 GPRESSAVG: 3861200 -45.7327 50.2431 1.06328 53.3867 82.2104 12.4635 0.0163861 13.7717 -30.5288 TIMING: 3861200 CPU: 11482.5, 0.00293709/step Wall: 11482.5, 0.00293709/step, 0.929098 hours remaining, 207.250000 MB of memory in use. ENERGY: 3861200 728.3682 2062.0362 1913.5208 106.9256 -206407.7810 17720.9341 0.0000 0.0000 34493.1077 -149382.8884 301.2369 -183875.9961 -149287.0517 298.8489 -78.9032 -47.7106 558433.3975 1.9267 1.9830 PRESSURE: 3861400 -246.866 47.8452 -121.447 47.846 20.4046 -3.11667 -121.447 -3.11488 -165.226 GPRESSURE: 3861400 -226.322 73.8684 -221.194 44.871 24.8843 -14.575 -102.77 -44.6729 -88.0302 PRESSAVG: 3861400 14.8093 37.5997 0.871988 37.5997 41.9014 -35.5698 0.871959 -35.5698 -33.166 GPRESSAVG: 3861400 17.1892 38.604 2.05798 37.011 41.3763 -33.391 -0.0856443 -36.9443 -34.3467 TIMING: 3861400 CPU: 11483.1, 0.00294197/step Wall: 11483.1, 0.00294197/step, 0.930478 hours remaining, 207.250000 MB of memory in use. ENERGY: 3861400 749.1317 2080.0563 1935.5056 108.9631 -206140.9880 17563.0093 0.0000 0.0000 34090.5136 -149613.8084 297.7209 -183704.3220 -149518.3936 298.7004 -130.5627 -96.4892 557004.8997 7.8482 8.0730 PRESSURE: 3861600 -400.051 -96.7843 5.90663 -96.7844 -93.4408 20.4513 5.90597 20.4509 -235.292 GPRESSURE: 3861600 -317.311 -107.847 -20.0545 -108.552 -111.33 -38.2176 10.9105 27.8686 -199.06 PRESSAVG: 3861600 -18.4483 -12.9708 -10.4709 -12.9708 29.4617 7.04304 -10.4709 7.04298 -40.1323 GPRESSAVG: 3861600 -18.1803 -13.3866 -10.3473 -11.8039 29.1049 5.27095 -8.41732 7.57146 -39.8377 TIMING: 3861600 CPU: 11483.6, 0.00293374/step Wall: 11483.6, 0.00293374/step, 0.927715 hours remaining, 207.250000 MB of memory in use. ENERGY: 3861600 745.7115 2095.7219 1945.7738 112.7722 -206122.5009 17463.2802 0.0000 0.0000 34142.0747 -149617.1666 298.1712 -183759.2413 -149521.4137 297.8568 -242.9281 -209.2337 557642.3225 -9.7063 -9.6377 PRESSURE: 3861800 -65.8925 -33.9947 61.0583 -33.9938 127.693 117.57 61.0557 117.571 -93.3049 GPRESSURE: 3861800 1.64155 24.2358 -55.6097 60.3986 172.228 108.871 133.172 171.807 -112.076 PRESSAVG: 3861800 27.9884 -2.83796 -11.6993 -2.83793 -57.263 -5.52279 -11.6993 -5.5228 35.7514 GPRESSAVG: 3861800 27.0101 -2.75125 -13.6113 -2.80829 -55.1336 -4.23607 -10.7642 -6.69051 34.7269 TIMING: 3861800 CPU: 11484.2, 0.00293274/step Wall: 11484.2, 0.00293274/step, 0.927235 hours remaining, 207.250000 MB of memory in use. ENERGY: 3861800 796.8316 2078.0859 1921.2826 116.6899 -206327.2204 17908.7678 0.0000 0.0000 34220.2582 -149285.3043 298.8540 -183505.5625 -149183.9078 298.2693 -10.5015 20.5978 557174.3751 2.1589 2.2011 PRESSURE: 3862000 -327.761 117.06 130.879 117.06 123.068 -46.2685 130.879 -46.267 -69.3214 GPRESSURE: 3862000 -266.909 45.1795 126.978 152.994 91.3197 -62.4306 108.067 -150.154 7.43516 PRESSAVG: 3862000 -8.76273 15.3684 13.6453 15.3684 9.6138 -9.82124 13.6452 -9.82129 2.6197 GPRESSAVG: 3862000 -8.47612 13.7598 15.3132 14.096 7.87874 -7.89865 11.5146 -9.39276 3.51527 TIMING: 3862000 CPU: 11484.8, 0.00295299/step Wall: 11484.8, 0.00295299/step, 0.933472 hours remaining, 207.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3862000 749.0541 2139.8185 1943.5599 128.2261 -206283.1863 17735.7572 0.0000 0.0000 34296.6508 -149290.1197 299.5212 -183586.7705 -149185.3719 299.3022 -91.3381 -56.0515 556554.3155 1.1569 0.9726 PRESSURE: 3862200 2.27056 -37.9151 -33.5574 -37.9146 -250.75 -67.2465 -33.5578 -67.2468 -262.419 GPRESSURE: 3862200 5.62946 25.2479 -45.8907 -47.4232 -235.113 -37.8698 -51.5379 -44.1179 -183.051 PRESSAVG: 3862200 -20.2214 -34.7817 36.2922 -34.7818 -26.1958 0.419767 36.2922 0.419828 54.2961 GPRESSAVG: 3862200 -20.7403 -30.8114 35.4583 -35.2616 -25.6244 -0.428677 38.5037 0.471015 53.8007 TIMING: 3862200 CPU: 11485.4, 0.00293663/step Wall: 11485.4, 0.00293663/step, 0.928139 hours remaining, 207.250000 MB of memory in use. ENERGY: 3862200 750.9613 2093.3857 1912.6853 118.1437 -206384.6309 17682.6792 0.0000 0.0000 34449.8652 -149376.9104 300.8592 -183826.7757 -149281.3160 299.1807 -170.2995 -137.5115 555941.7329 2.6263 2.4787 PRESSURE: 3862400 104.161 55.019 -32.0475 55.0178 -220.247 154.794 -32.048 154.793 132.941 GPRESSURE: 3862400 118.726 71.9002 -44.9305 98.879 -197.246 111.714 -9.57248 103.646 189.413 PRESSAVG: 3862400 18.7511 43.521 2.61392 43.521 -38.8962 21.9818 2.61386 21.9818 36.6517 GPRESSAVG: 3862400 17.4081 40.8909 3.8622 43.7451 -39.1159 18.7233 0.530543 23.6429 38.2529 TIMING: 3862400 CPU: 11486, 0.00292243/step Wall: 11486, 0.00292243/step, 0.923489 hours remaining, 207.250000 MB of memory in use. ENERGY: 3862400 735.4592 2093.8956 1932.3586 113.5442 -206147.9715 17762.5152 0.0000 0.0000 34175.4377 -149334.7610 298.4626 -183510.1987 -149231.7500 299.1837 5.6184 36.9646 558115.4762 5.5022 5.5151 PRESSURE: 3862600 81.1292 6.11779 0.434585 6.11867 151.797 32.2551 0.436051 32.2566 74.1733 GPRESSURE: 3862600 69.7515 48.3693 -23.44 -49.054 190.271 42.4096 -53.1659 27.1239 133.839 PRESSAVG: 3862600 40.7492 30.3148 4.70888 30.3147 -2.87058 20.7375 4.70892 20.7374 -29.0172 GPRESSAVG: 3862600 42.3761 30.8188 4.10642 31.8566 -2.19619 25.12 4.55351 19.4086 -31.3888 TIMING: 3862600 CPU: 11486.6, 0.00294377/step Wall: 11486.6, 0.00294377/step, 0.930068 hours remaining, 207.250000 MB of memory in use. ENERGY: 3862600 751.1591 2107.5468 1892.6535 106.1820 -206611.8800 18098.1722 0.0000 0.0000 34252.1626 -149404.0038 299.1327 -183656.1664 -149307.6957 298.0768 102.3665 131.2871 557000.0587 2.9538 2.9303 PRESSURE: 3862800 -15.154 159.697 -42.3387 159.696 -41.6949 116.876 -42.3395 116.874 -220.301 GPRESSURE: 3862800 44.1885 205.437 -14.5694 146.992 -57.0351 21.9269 -56.8803 110.37 -168.059 PRESSAVG: 3862800 48.9186 -11.9273 -2.07007 -11.9273 -42.3176 2.73962 -2.07016 2.73964 7.27575 GPRESSAVG: 3862800 47.7235 -10.8381 -2.00571 -11.9333 -42.5679 0.0226182 -1.71008 2.95683 8.76569 TIMING: 3862800 CPU: 11487.2, 0.00294381/step Wall: 11487.2, 0.00294381/step, 0.929916 hours remaining, 207.250000 MB of memory in use. ENERGY: 3862800 732.2959 2061.7523 1944.9553 114.6731 -206340.3648 17894.7499 0.0000 0.0000 34135.2076 -149456.7307 298.1113 -183591.9384 -149357.6915 298.0784 -92.3832 -60.3019 558704.7004 4.6256 4.6404 PRESSURE: 3863000 -102.376 79.4251 -6.72451 79.4252 -132.447 -66.2541 -6.72548 -66.2546 -10.9949 GPRESSURE: 3863000 -63.094 64.9973 -111.712 105.727 -101.526 -74.0282 151.728 -117.547 29.7541 PRESSAVG: 3863000 20.5219 69.9741 -45.6623 69.9741 -16.9747 -6.98105 -45.6622 -6.98099 -6.04606 GPRESSAVG: 3863000 21.2975 70.9879 -45.0132 68.5891 -17.0042 -5.68165 -45.851 -7.67484 -6.44064 TIMING: 3863000 CPU: 11487.8, 0.00292699/step Wall: 11487.8, 0.00292699/step, 0.92444 hours remaining, 207.250000 MB of memory in use. ENERGY: 3863000 724.8440 2087.7224 1953.6942 120.9967 -206575.2382 17910.0134 0.0000 0.0000 34208.6386 -149569.3290 298.7525 -183777.9676 -149473.3878 298.2707 -81.9394 -44.9552 558473.1469 -0.8330 -0.7158 PRESSURE: 3863200 65.1799 -97.3614 -66.0748 -97.3624 60.8325 -32.1666 -66.0746 -32.167 -190.246 GPRESSURE: 3863200 42.6507 -185.06 -138.966 17.0548 152.328 19.8416 -47.8488 -151.595 -148.527 PRESSAVG: 3863200 14.5673 7.91078 2.36709 7.91074 8.31189 -17.9346 2.36706 -17.9346 -9.69173 GPRESSAVG: 3863200 13.9862 7.15811 -0.157248 8.10697 7.5829 -14.8164 2.93104 -19.4525 -8.90021 TIMING: 3863200 CPU: 11488.4, 0.00297077/step Wall: 11488.4, 0.00297077/step, 0.938103 hours remaining, 207.250000 MB of memory in use. ENERGY: 3863200 743.3353 2084.9945 1951.1494 115.9618 -206268.2800 17773.7017 0.0000 0.0000 34049.5575 -149549.5797 297.3633 -183599.1372 -149459.5246 298.2582 -21.4111 15.4839 558502.8686 4.3958 4.2230 PRESSURE: 3863400 121.392 -75.0899 -46.7584 -75.0881 -146.47 0.660742 -46.7582 0.659389 -12.847 GPRESSURE: 3863400 179.779 -171.822 -69.4993 -27.723 -139.261 5.2157 -61.5662 -39.8058 3.19907 PRESSAVG: 3863400 -34.8469 -41.0802 -44.2795 -41.0802 57.3262 8.565 -44.2794 8.56502 -16.5381 GPRESSAVG: 3863400 -34.9789 -41.2013 -43.1688 -41.8284 58.688 4.0922 -45.9937 10.9073 -18.044 TIMING: 3863400 CPU: 11488.9, 0.00296071/step Wall: 11488.9, 0.00296071/step, 0.934763 hours remaining, 207.250000 MB of memory in use. ENERGY: 3863400 743.1459 2055.0607 1867.4405 116.6788 -206475.2697 17959.8670 0.0000 0.0000 34220.8653 -149512.2115 298.8593 -183733.0768 -149410.5931 298.1197 -12.6416 14.5725 557665.6835 1.9804 1.8884 PRESSURE: 3863600 -124.112 -141.93 -7.04223 -141.93 -72.0749 38.6143 -7.04209 38.6134 108.821 GPRESSURE: 3863600 -55.0912 -134.158 33.7828 -93.4028 -49.2311 -47.3995 -97.4751 103.885 118.222 PRESSAVG: 3863600 32.2021 26.7437 -44.7733 26.7436 -39.7114 -41.2999 -44.7734 -41.2998 14.4637 GPRESSAVG: 3863600 32.9139 23.9324 -44.4618 28.3011 -39.6277 -39.623 -44.1525 -41.9882 13.2474 TIMING: 3863600 CPU: 11489.5, 0.00295645/step Wall: 11489.5, 0.00295645/step, 0.933252 hours remaining, 207.250000 MB of memory in use. ENERGY: 3863600 748.6819 2033.6097 1896.6866 102.4723 -206231.8224 17835.9169 0.0000 0.0000 34281.7577 -149332.6974 299.3911 -183614.4551 -149238.0729 298.1360 -29.1218 4.6331 558796.6803 2.3181 2.1779 PRESSURE: 3863800 -181.259 46.3849 -103.504 46.3847 -326.449 232.365 -103.505 232.365 -71.4481 GPRESSURE: 3863800 -97.6677 93.4364 -58.2142 21.722 -353.44 209.025 -204.023 328.17 -29.9881 PRESSAVG: 3863800 -29.0608 -65.6073 -7.60805 -65.6073 8.21497 -3.51575 -7.60805 -3.51568 58.1203 GPRESSAVG: 3863800 -29.6403 -62.783 -7.1725 -66.8509 6.99398 -4.00005 -9.12162 -2.73766 60.066 TIMING: 3863800 CPU: 11490.1, 0.0029252/step Wall: 11490.1, 0.0029252/step, 0.923224 hours remaining, 207.250000 MB of memory in use. ENERGY: 3863800 794.2365 2035.4936 1931.5420 115.3886 -205929.5997 17631.2178 0.0000 0.0000 34151.7674 -149269.9536 298.2559 -183421.7210 -149171.7528 298.2227 -193.0520 -160.3652 558603.5472 12.4248 12.4732 PRESSURE: 3864000 55.5835 68.4481 15.1752 68.448 -110.515 15.9172 15.1753 15.9165 -111.95 GPRESSURE: 3864000 115.427 64.4435 30.6975 44.9643 -60.0044 45.9393 40.5287 -4.84974 -130.496 PRESSAVG: 3864000 -44.8571 6.41835 14.0203 6.41835 -38.1598 -14.03 14.0202 -14.0301 56.7787 GPRESSAVG: 3864000 -44.1273 6.88167 13.6038 6.24248 -38.1221 -13.0894 17.2093 -16.0517 56.4572 TIMING: 3864000 CPU: 11490.7, 0.00291103/step Wall: 11490.7, 0.00291103/step, 0.918592 hours remaining, 207.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3864000 755.5916 2065.8043 1926.9120 120.1106 -206175.0362 17824.2272 0.0000 0.0000 34344.0481 -149138.3425 299.9351 -183482.3906 -149043.6510 299.2889 -55.6273 -25.0245 559979.8439 -8.7461 -8.5974 PRESSURE: 3864200 -284.271 196.013 -55.2317 196.014 -69.5324 5.16343 -55.2325 5.16164 -47.1398 GPRESSURE: 3864200 -271.832 140.293 -64.9857 236.303 -39.8245 54.1606 -125.757 -16.046 0.0310408 PRESSAVG: 3864200 60.3967 23.0661 -0.110343 23.0662 -72.351 22.8835 -0.110353 22.8835 -16.5858 GPRESSAVG: 3864200 58.7806 21.5325 0.651223 25.775 -71.3869 20.7778 -1.80812 23.2721 -15.5272 TIMING: 3864200 CPU: 11491.3, 0.00293202/step Wall: 11491.3, 0.00293202/step, 0.925053 hours remaining, 207.250000 MB of memory in use. ENERGY: 3864200 751.2088 2089.3084 1917.6250 121.7163 -206048.2424 17732.5963 0.0000 0.0000 34356.1923 -149079.5952 300.0412 -183435.7876 -148989.3875 299.7173 -133.6478 -103.8751 557209.2595 -9.5134 -9.3778 LDB: ============= START OF LOAD BALANCING ============== 11494.8 LDB: ============== END OF LOAD BALANCING =============== 11494.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11494.8 LDB: ============= START OF LOAD BALANCING ============== 11495.1 LDB: Largest compute 4801 load 0.022738 is 19.2% of average load 0.118330 LDB: Average compute 0.001733 is 1.5% of average load 0.118330 LDB: TIME 11495.1 LOAD: AVG 0.11833 MAX 0.196728 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.051 MB LDB: TIME 11495.1 LOAD: AVG 0.11833 MAX 0.196728 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.051 MB LDB: TIME 11495.1 LOAD: AVG 0.11833 MAX 0.196728 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.051 MB LDB: ============== END OF LOAD BALANCING =============== 11495.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11495.1 PRESSURE: 3864400 9.85337 49.0081 -117.661 49.008 71.3298 -175.468 -117.661 -175.468 -50.1589 GPRESSURE: 3864400 95.8436 27.5203 -120.894 56.7375 58.1438 -151.906 -165.125 -136.207 -11.1104 PRESSAVG: 3864400 60.1986 87.9141 3.06188 87.914 -36.5269 16.7955 3.06194 16.7956 14.2848 GPRESSAVG: 3864400 61.7847 87.352 3.38941 84.1172 -37.9273 19.0636 1.253 16.7027 13.7375 TIMING: 3864400 CPU: 11491.9, 0.00299231/step Wall: 11491.9, 0.00299231/step, 0.943907 hours remaining, 206.539062 MB of memory in use. ENERGY: 3864400 790.3932 2078.6633 1921.8477 113.1621 -206360.5649 18007.5854 0.0000 0.0000 34471.1551 -148977.7580 301.0452 -183448.9132 -148875.4754 300.2457 10.3414 47.6257 557576.6923 12.6522 12.5316 PRESSURE: 3864600 -186.365 -82.0062 7.94168 -82.0061 122.523 -132.75 7.94143 -132.748 -47.7636 GPRESSURE: 3864600 -129.302 -93.2715 -14.8993 -122.49 139.26 -170.423 98.4321 -199.966 -16.6618 PRESSAVG: 3864600 -25.1762 -20.7211 20.7926 -20.7211 23.8132 -35.5321 20.7927 -35.5321 -15.0239 GPRESSAVG: 3864600 -25.277 -19.7014 20.8392 -19.1397 24.0502 -37.6972 23.2929 -34.3131 -14.7698 TIMING: 3864600 CPU: 11492.5, 0.00293616/step Wall: 11492.5, 0.00293616/step, 0.926033 hours remaining, 206.539062 MB of memory in use. ENERGY: 3864600 785.2615 2093.4208 1903.5341 109.3528 -206071.8130 17660.6034 0.0000 0.0000 34444.5287 -149075.1117 300.8126 -183519.6403 -148973.1082 299.7040 -37.2019 -2.2345 557718.2260 -5.4623 -5.3322 PRESSURE: 3864800 162.693 -103.293 119.966 -103.294 -85.9121 41.9713 119.965 41.9705 86.5678 GPRESSURE: 3864800 174.787 -74.4483 -0.593444 -86.8086 -93.3718 138.174 136.077 -86.8592 178.754 PRESSAVG: 3864800 -16.4959 -22.1382 -66.5891 -22.1382 20.0771 -78.2576 -66.5892 -78.2576 -32.5915 GPRESSAVG: 3864800 -18.4458 -20.8221 -65.2147 -23.4047 20.828 -78.165 -66.6586 -78.1941 -32.1154 TIMING: 3864800 CPU: 11493.1, 0.00295446/step Wall: 11493.1, 0.00295446/step, 0.93164 hours remaining, 206.539062 MB of memory in use. ENERGY: 3864800 743.9939 2087.6212 1901.9325 113.9422 -205966.0994 17800.0513 0.0000 0.0000 34134.6435 -149183.9148 298.1063 -183318.5583 -149082.6787 299.4858 54.4497 86.7229 557572.3197 -9.6701 -9.9111 PRESSURE: 3865000 -46.2331 144.384 240.474 144.383 -234.806 -101.622 240.474 -101.622 -255.959 GPRESSURE: 3865000 20.7013 195.144 206.561 27.7233 -245.724 -104.23 318.64 -134.593 -220.833 PRESSAVG: 3865000 -2.84001 -36.3456 24.4034 -36.3456 40.2726 -27.4258 24.4033 -27.4258 -6.90052 GPRESSAVG: 3865000 -1.0811 -36.6976 23.3894 -34.5006 40.0707 -27.4418 23.8736 -26.7403 -8.12131 TIMING: 3865000 CPU: 11493.7, 0.00294979/step Wall: 11493.7, 0.00294979/step, 0.930003 hours remaining, 206.539062 MB of memory in use. ENERGY: 3865000 770.5594 2083.3197 1935.8809 116.3401 -206049.6108 17659.7040 0.0000 0.0000 34316.6240 -149167.1826 299.6956 -183483.8067 -149069.9176 299.8877 -178.9996 -148.6185 559023.9373 10.1774 10.2894 PRESSURE: 3865200 -183.813 30.4441 -194.894 30.4439 -232.578 -83.7595 -194.893 -83.7595 -179.458 GPRESSURE: 3865200 -133.196 -41.0963 -195.405 74.3908 -161.143 -91.2552 -138.628 -73.5015 -197.034 PRESSAVG: 3865200 -0.746427 -3.45962 -18.7567 -3.45962 -2.68737 -102.697 -18.7567 -102.697 46.6612 GPRESSAVG: 3865200 -1.88807 -5.46629 -19.7482 -5.54559 -1.79511 -100.196 -17.7622 -102.894 47.2034 TIMING: 3865200 CPU: 11494.2, 0.00292234/step Wall: 11494.2, 0.00292234/step, 0.921187 hours remaining, 206.539062 MB of memory in use. ENERGY: 3865200 790.6806 2166.4771 1920.8212 110.6534 -206187.0428 17730.4960 0.0000 0.0000 34166.1408 -149301.7736 298.3814 -183467.9143 -149203.4204 299.3115 -198.6164 -163.7914 557794.4849 14.4091 14.5067 PRESSURE: 3865400 128.001 -90.7997 86.1837 -90.7996 20.3471 69.615 86.1836 69.6169 -299.459 GPRESSURE: 3865400 171.97 2.60347 52.4805 -161.088 52.9469 151.465 56.1319 17.5408 -269.966 PRESSAVG: 3865400 17.3022 -10.8343 22.8738 -10.8343 4.29528 3.72759 22.8738 3.72754 -11.9994 GPRESSAVG: 3865400 17.5916 -8.94792 24.2 -11.3757 3.56936 2.52184 21.8351 3.16491 -11.3383 TIMING: 3865400 CPU: 11494.8, 0.00294696/step Wall: 11494.8, 0.00294696/step, 0.928784 hours remaining, 206.539062 MB of memory in use. ENERGY: 3865400 745.6797 2148.9720 1906.7962 112.3867 -205929.5808 17628.6784 0.0000 0.0000 34227.4848 -149159.5828 298.9171 -183387.0677 -149071.9962 299.1282 -50.3704 -15.0162 558237.3902 3.1994 3.2742 PRESSURE: 3865600 -50.4161 -70.6672 158.069 -70.6676 15.0414 -64.9536 158.069 -64.954 2.56452 GPRESSURE: 3865600 -55.0739 -97.078 149.437 -27.0245 52.4891 12.8071 110.861 -160.024 57.7607 PRESSAVG: 3865600 -25.5162 15.7981 13.8309 15.7982 -6.40151 20.0099 13.8308 20.0099 -27.7129 GPRESSAVG: 3865600 -25.7603 14.6251 14.5034 17.4901 -6.27943 20.6132 11.9342 18.4203 -27.5948 TIMING: 3865600 CPU: 11495.4, 0.00296139/step Wall: 11495.4, 0.00296139/step, 0.933168 hours remaining, 206.539062 MB of memory in use. ENERGY: 3865600 791.6087 2098.8403 1919.6886 123.0243 -205981.1787 17820.4723 0.0000 0.0000 34300.7092 -148926.8353 299.5566 -183227.5444 -148829.8897 300.0104 -10.9367 18.3919 558284.0875 -19.8769 -19.8782 PRESSURE: 3865800 -110.628 39.3007 -76.128 39.2996 -345.974 -107.332 -76.1271 -107.33 -53.6161 GPRESSURE: 3865800 -76.8235 103.97 -156.843 75.599 -297.653 -154.45 -82.656 -149.635 -48.3721 PRESSAVG: 3865800 46.6168 71.4083 21.9098 71.4083 -9.84974 -19.5633 21.9098 -19.5633 6.56803 GPRESSAVG: 3865800 47.5188 72.3625 20.2533 71.711 -9.92177 -19.3848 25.1066 -17.6531 5.96531 TIMING: 3865800 CPU: 11496, 0.00295636/step Wall: 11496, 0.00295636/step, 0.931417 hours remaining, 206.539062 MB of memory in use. ENERGY: 3865800 715.9484 2152.4053 1897.7402 112.7754 -205934.9967 17742.0396 0.0000 0.0000 34298.3724 -149015.7154 299.5362 -183314.0878 -148913.1430 300.1442 -170.0728 -140.9495 559489.4395 14.4450 14.5208 PRESSURE: 3866000 248.747 -31.9681 -38.3928 -31.9672 156.031 -82.3289 -38.3926 -82.3291 -139.173 GPRESSURE: 3866000 261.09 8.30348 -23.4767 -5.8335 180.285 -101.775 -70.5821 -46.0787 -78.9382 PRESSAVG: 3866000 34.5093 46.7603 36.1608 46.7602 -9.16567 -19.9464 36.1608 -19.9463 -7.88889 GPRESSAVG: 3866000 34.206 46.0341 37.1201 47.1925 -9.06371 -21.0616 35.1357 -21.0991 -7.34824 TIMING: 3866000 CPU: 11496.6, 0.00294592/step Wall: 11496.6, 0.00294592/step, 0.927963 hours remaining, 206.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3866000 773.5064 2130.1608 1889.1911 111.3993 -206142.3145 17956.9127 0.0000 0.0000 34162.1074 -149119.0368 298.3462 -183281.1443 -149023.3150 299.2381 88.5350 120.8124 558936.1708 5.8182 5.9313 PRESSURE: 3866200 -40.6029 100.016 171.515 100.014 -127.961 -18.9504 171.515 -18.9514 5.41606 GPRESSURE: 3866200 28.2958 26.0454 240.069 73.3143 -122.785 114.986 91.9319 -6.76798 32.8186 PRESSAVG: 3866200 -18.8637 10.6892 23.4762 10.6892 34.4288 -20.19 23.4761 -20.1899 -13.0282 GPRESSAVG: 3866200 -18.3503 9.84842 22.5415 8.66101 33.7952 -18.8538 25.7349 -20.4935 -12.9233 TIMING: 3866200 CPU: 11497.2, 0.00295027/step Wall: 11497.2, 0.00295027/step, 0.929171 hours remaining, 206.539062 MB of memory in use. ENERGY: 3866200 773.3258 2111.8039 1926.5585 102.5907 -206078.2619 17663.1762 0.0000 0.0000 34336.9762 -149163.8305 299.8734 -183500.8068 -149071.4393 299.5719 -54.3827 -20.5569 558332.8041 0.8456 0.8405 PRESSURE: 3866400 17.55 47.8043 13.9652 47.8039 -47.6065 71.49 13.9654 71.4896 244.285 GPRESSURE: 3866400 88.2689 21.8476 28.2162 119.943 -11.4802 70.9066 27.8109 49.2744 233.835 PRESSAVG: 3866400 4.15925 25.2835 4.32755 25.2835 -43.1995 9.44838 4.32755 9.44838 21.4535 GPRESSAVG: 3866400 4.6839 25.0438 4.49911 27.1952 -43.1342 9.64617 3.3771 8.90556 20.9347 TIMING: 3866400 CPU: 11497.8, 0.00296618/step Wall: 11497.8, 0.00296618/step, 0.934017 hours remaining, 206.539062 MB of memory in use. ENERGY: 3866400 733.9123 2094.1585 1899.9397 105.3556 -206299.0003 18009.6415 0.0000 0.0000 34425.5622 -149030.4305 300.6470 -183455.9927 -148937.2049 299.6396 71.4095 103.5412 558515.2099 -5.8623 -5.8385 PRESSURE: 3866600 -247.51 91.8712 117.741 91.8707 -62.311 -104.047 117.74 -104.048 -162.933 GPRESSURE: 3866600 -213.482 114.349 134.125 109.113 -93.1325 -123.758 103.756 -118.53 -59.7334 PRESSAVG: 3866600 2.58299 -5.2836 -9.72284 -5.28368 -35.1794 -52.9886 -9.72278 -52.9886 28.3544 GPRESSAVG: 3866600 1.44466 -5.7196 -9.1358 -6.29447 -33.1294 -53.756 -9.42802 -52.6086 27.2963 TIMING: 3866600 CPU: 11498.4, 0.00298046/step Wall: 11498.4, 0.00298046/step, 0.938347 hours remaining, 206.539062 MB of memory in use. ENERGY: 3866600 744.9300 2058.0100 1880.7158 106.0036 -205776.6236 17611.3397 0.0000 0.0000 34239.6302 -149135.9943 299.0232 -183375.6245 -149043.7576 299.1835 -157.5849 -122.1159 558181.8067 -1.4140 -1.4628 PRESSURE: 3866800 132.065 -30.1027 -34.5038 -30.1019 -148.062 80.6203 -34.5032 80.6206 -161.146 GPRESSURE: 3866800 149.017 -39.3162 23.0679 -51.3436 -129.72 17.6165 -15.3301 30.0976 -94.1756 PRESSAVG: 3866800 26.5267 1.7418 28.157 1.74175 -71.2651 -5.12749 28.1571 -5.1274 -25.6728 GPRESSAVG: 3866800 27.7608 3.56005 28.2479 3.55384 -73.0871 -6.9442 27.2349 -2.94657 -25.2011 TIMING: 3866800 CPU: 11499, 0.00295122/step Wall: 11499, 0.00295122/step, 0.928979 hours remaining, 206.539062 MB of memory in use. ENERGY: 3866800 764.1974 2048.8912 1892.7251 106.3586 -206199.6461 17765.6614 0.0000 0.0000 34591.7757 -149030.0368 302.0986 -183621.8125 -148942.1517 300.0251 -59.0475 -24.9597 557802.3279 -23.4704 -23.5091 PRESSURE: 3867000 -35.3127 -53.5144 30.6047 -53.5143 -185.592 -56.8674 30.6042 -56.8678 -201.853 GPRESSURE: 3867000 -29.033 -38.3466 -2.71936 17.4509 -134.856 -23.0342 57.516 -142.237 -154.255 PRESSAVG: 3867000 -12.4097 -43.1086 -2.25495 -43.1086 30.7588 15.3352 -2.25498 15.3352 -36.5431 GPRESSAVG: 3867000 -13.7534 -41.8714 -2.96094 -45.6454 32.0631 16.3344 -3.62757 14.2263 -36.3607 TIMING: 3867000 CPU: 11499.6, 0.00295809/step Wall: 11499.6, 0.00295809/step, 0.930976 hours remaining, 206.539062 MB of memory in use. ENERGY: 3867000 730.5028 2110.5753 1890.9785 105.5472 -205909.6490 17616.8066 0.0000 0.0000 34438.5386 -149016.7000 300.7603 -183455.2386 -148914.1177 299.9597 -140.9192 -106.0481 557814.2118 -6.0646 -6.0170 PRESSURE: 3867200 -25.7763 -227.77 102.464 -227.77 -67.1724 -26.4799 102.463 -26.4809 105.156 GPRESSURE: 3867200 71.1652 -259.524 42.5779 -273.515 -34.7017 -0.40987 63.714 -53.9577 95.4111 PRESSAVG: 3867200 -27.7967 -2.45925 -64.1689 -2.45919 -38.8722 18.7922 -64.1689 18.7921 77.4308 GPRESSAVG: 3867200 -26.5959 -3.19419 -66.5136 -2.49027 -39.9751 18.6635 -60.5964 18.4604 77.4831 TIMING: 3867200 CPU: 11500.2, 0.0029566/step Wall: 11500.2, 0.0029566/step, 0.930344 hours remaining, 206.539062 MB of memory in use. ENERGY: 3867200 742.2926 2110.6128 1879.1591 127.1534 -205968.2693 17852.0175 0.0000 0.0000 34230.9015 -149026.1324 298.9470 -183257.0339 -148926.6124 300.0840 4.0690 43.9582 559070.0283 3.5873 3.6374 PRESSURE: 3867400 -280.633 -95.3606 -25.1231 -95.3608 -322.691 36.5599 -25.1226 36.56 -4.8184 GPRESSURE: 3867400 -251.366 -158.395 -48.6419 -91.1195 -330.997 -15.6371 33.5831 66.8846 69.1896 PRESSAVG: 3867400 -57.9056 -13.6634 -0.572172 -13.6633 -6.70085 -13.6136 -0.572128 -13.6136 61.239 GPRESSAVG: 3867400 -58.3893 -14.3548 1.50026 -12.6932 -5.94619 -13.5411 -0.723523 -12.6314 61.1889 TIMING: 3867400 CPU: 11500.8, 0.0029614/step Wall: 11500.8, 0.0029614/step, 0.93169 hours remaining, 206.539062 MB of memory in use. ENERGY: 3867400 777.5849 2083.1972 1912.8163 121.7551 -205486.7094 17485.1236 0.0000 0.0000 34242.9783 -148863.2541 299.0524 -183106.2323 -148765.5458 300.2243 -202.7141 -171.0577 558341.2195 -1.1225 -1.0489 PRESSURE: 3867600 -156.942 -81.7485 144.024 -81.7491 -201.941 38.6122 144.023 38.6142 -144.043 GPRESSURE: 3867600 -131.793 -30.4385 159.465 -43.5795 -162.69 64.2658 109.28 40.7478 -113.609 PRESSAVG: 3867600 59.3981 17.8701 -6.77512 17.8702 -21.1085 -1.87168 -6.77517 -1.87175 -38.0596 GPRESSAVG: 3867600 59.4085 19.8367 -6.83202 17.1322 -20.9069 -0.235477 -6.62231 -2.40912 -39.406 TIMING: 3867600 CPU: 11501.3, 0.00293523/step Wall: 11501.3, 0.00293523/step, 0.923293 hours remaining, 206.539062 MB of memory in use. ENERGY: 3867600 749.4146 2060.7975 1874.4857 132.4619 -205404.0214 17361.9267 0.0000 0.0000 34260.4768 -148964.4582 299.2053 -183224.9351 -148862.8852 300.1770 -167.6418 -136.0306 557063.9781 0.0767 -0.3015 PRESSURE: 3867800 -60.8015 86.5038 71.7756 86.5036 27.7358 -15.2826 71.7756 -15.2826 -158.312 GPRESSURE: 3867800 -42.37 147.645 61.9789 -43.771 45.8296 -73.7202 82.6891 34.3213 -87.0273 PRESSAVG: 3867800 12.1857 -8.43518 -13.0899 -8.43516 -21.9882 -12.5842 -13.0899 -12.5842 -16.872 GPRESSAVG: 3867800 13.359 -9.73627 -11.9801 -6.62531 -23.7432 -14.2466 -17.4317 -12.7329 -16.0947 TIMING: 3867800 CPU: 11501.9, 0.00293807/step Wall: 11501.9, 0.00293807/step, 0.924024 hours remaining, 206.539062 MB of memory in use. ENERGY: 3867800 738.8493 2080.6448 1937.2922 115.9733 -205905.5760 17614.4653 0.0000 0.0000 34269.1631 -149149.1880 299.2811 -183418.3511 -149047.5309 299.7890 -63.7926 -27.8559 556407.2319 -8.8915 -8.8263 PRESSURE: 3868000 115.692 -13.3209 43.5751 -13.3208 291.982 166.547 43.573 166.548 25.4314 GPRESSURE: 3868000 166.563 16.037 -6.12945 -2.95955 281.814 9.00159 85.8675 167.317 77.0909 PRESSAVG: 3868000 -6.76251 -6.45369 0.289357 -6.45379 -39.5029 21.8396 0.289364 21.8396 1.81053 GPRESSAVG: 3868000 -7.50491 -6.18805 -1.48986 -7.57044 -38.9634 21.7181 4.59636 21.4311 1.9408 TIMING: 3868000 CPU: 11502.5, 0.00290509/step Wall: 11502.5, 0.00290509/step, 0.91349 hours remaining, 206.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3868000 752.7614 2083.5551 1903.0268 105.3181 -206349.2963 17755.6115 0.0000 0.0000 34521.0858 -149227.9376 301.4812 -183749.0234 -149135.9152 299.4922 144.3685 175.1558 555198.0161 -14.8183 -14.8425 PRESSURE: 3868200 -212.353 -6.45449 -78.4509 -6.45591 10.2645 151.039 -78.4508 151.039 98.6728 GPRESSURE: 3868200 -173.576 34.8453 -19.9809 -39.5746 53.9159 105.786 -140.907 165.645 128.473 PRESSAVG: 3868200 17.7316 -4.49373 2.23975 -4.49371 -61.7091 24.2461 2.23982 24.2461 -10.7327 GPRESSAVG: 3868200 17.5769 -4.4221 4.40798 -3.89617 -61.1897 24.4873 0.164572 24.6766 -11.1085 TIMING: 3868200 CPU: 11503.1, 0.00293298/step Wall: 11503.1, 0.00293298/step, 0.922098 hours remaining, 206.539062 MB of memory in use. ENERGY: 3868200 801.3905 2083.5295 1920.6756 107.3626 -206385.0143 17913.8372 0.0000 0.0000 34345.5434 -149212.6755 299.9482 -183558.2189 -149113.2161 299.2837 -34.4720 2.9378 556875.9741 -18.2367 -18.2404 LDB: ============= START OF LOAD BALANCING ============== 11506.6 LDB: ============== END OF LOAD BALANCING =============== 11506.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11506.6 LDB: ============= START OF LOAD BALANCING ============== 11506.9 LDB: Largest compute 4801 load 0.022092 is 18.7% of average load 0.118287 LDB: Average compute 0.001730 is 1.5% of average load 0.118287 LDB: TIME 11506.9 LOAD: AVG 0.118287 MAX 0.196225 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.074 MB LDB: TIME 11506.9 LOAD: AVG 0.118287 MAX 0.196225 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.277 MB LDB: TIME 11506.9 LOAD: AVG 0.118287 MAX 0.196225 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.277 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11506.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11506.9 PRESSURE: 3868400 -10.22 22.9201 -113.244 22.9192 -132.433 54.0321 -113.244 54.032 -132.257 GPRESSURE: 3868400 12.2213 -21.5377 -144.471 66.1786 -66.759 35.2399 -153.5 2.27861 -128.937 PRESSAVG: 3868400 -15.7719 -75.5192 -62.2836 -75.5192 -29.0066 69.3202 -62.2836 69.3201 22.7279 GPRESSAVG: 3868400 -15.676 -75.0567 -63.3738 -76.8019 -28.47 71.3842 -62.1934 67.0555 22.2128 TIMING: 3868400 CPU: 11503.7, 0.00298494/step Wall: 11503.7, 0.00298494/step, 0.938265 hours remaining, 208.082031 MB of memory in use. ENERGY: 3868400 739.5684 2132.4737 1954.1661 127.1326 -206042.3922 17605.2251 0.0000 0.0000 34410.7516 -149073.0747 300.5177 -183483.8263 -148980.7527 299.5343 -91.6365 -61.1582 557070.2932 -7.3502 -7.3111 PRESSURE: 3868600 -66.5571 141.571 -30.4855 141.57 -90.5283 159.077 -30.4848 159.076 -59.5405 GPRESSURE: 3868600 -106.801 156.023 17.7033 163.357 -18.041 237.203 -0.666391 47.161 0.330066 PRESSAVG: 3868600 14.903 -5.06847 29.0312 -5.06844 -12.8613 14.7244 29.0313 14.7244 9.3541 GPRESSAVG: 3868600 12.7719 -4.74014 28.7425 -4.54034 -11.394 11.6569 30.323 16.67 9.5219 TIMING: 3868600 CPU: 11504.3, 0.00291827/step Wall: 11504.3, 0.00291827/step, 0.917146 hours remaining, 208.082031 MB of memory in use. ENERGY: 3868600 770.4425 2119.9409 1911.4377 107.5477 -206432.9208 18019.3771 0.0000 0.0000 34124.1900 -149379.9850 298.0150 -183504.1750 -149289.8887 298.8589 -72.2086 -41.5039 558873.4558 3.7986 3.6333 PRESSURE: 3868800 -61.8326 97.9447 52.1026 97.9439 -23.0003 20.8051 52.1016 20.8034 49.9403 GPRESSURE: 3868800 -16.0826 118.916 106.791 18.8867 -8.4904 -6.00161 6.14998 20.9949 73.815 PRESSAVG: 3868800 -37.2858 -5.78408 -42.0539 -5.78411 40.3462 8.95124 -42.0539 8.95123 -29.3452 GPRESSAVG: 3868800 -36.3727 -4.94366 -40.918 -7.49227 38.5971 10.3039 -43.5883 8.47747 -28.6846 TIMING: 3868800 CPU: 11504.9, 0.00292183/step Wall: 11504.9, 0.00292183/step, 0.918105 hours remaining, 208.082031 MB of memory in use. ENERGY: 3868800 760.9758 2114.4479 1910.5272 107.9547 -206594.8119 17949.1339 0.0000 0.0000 34163.2487 -149588.5237 298.3561 -183751.7724 -149492.4048 298.8646 -11.6309 16.4140 558160.9299 -8.7616 -8.8201 PRESSURE: 3869000 77.1298 -18.489 74.8633 -18.4892 98.552 -18.8128 74.8618 -18.8125 146.568 GPRESSURE: 3869000 60.0053 -61.2954 69.052 -39.6438 156.935 -30.6603 54.8226 -20.5302 205.397 PRESSAVG: 3869000 49.978 -40.8017 8.40822 -40.8017 11.2163 59.9202 8.40824 59.9201 -39.5337 GPRESSAVG: 3869000 50.6625 -43.6759 10.843 -37.7233 11.6244 61.576 7.31261 58.7553 -40.224 TIMING: 3869000 CPU: 11505.4, 0.00293115/step Wall: 11505.4, 0.00293115/step, 0.920869 hours remaining, 208.082031 MB of memory in use. ENERGY: 3869000 729.0973 2084.5730 1913.0412 109.3243 -206270.2723 17858.8248 0.0000 0.0000 34049.6473 -149525.7644 297.3640 -183575.4117 -149424.5446 297.7769 107.4166 140.7788 557080.2071 7.2202 7.3543 PRESSURE: 3869200 -92.2263 60.4527 124.891 60.4526 -197.986 32.1586 124.89 32.1577 -210.131 GPRESSURE: 3869200 -68.1625 84.1864 0.273783 45.9905 -220.579 31.1524 167.136 100.218 -123.044 PRESSAVG: 3869200 44.5023 2.27775 2.70171 2.27773 -26.4159 1.61205 2.70172 1.61201 34.0707 GPRESSAVG: 3869200 44.5879 3.81693 -0.556049 0.978164 -27.026 -0.140212 5.49931 2.14022 34.3781 TIMING: 3869200 CPU: 11506, 0.00295176/step Wall: 11506, 0.00295176/step, 0.927182 hours remaining, 208.082031 MB of memory in use. ENERGY: 3869200 795.7666 2160.6501 1909.9370 111.4936 -206331.2294 17675.5444 0.0000 0.0000 34157.7241 -149520.1135 298.3079 -183677.8376 -149431.3350 298.4513 -166.7811 -137.2618 558014.1917 17.3857 17.3133 PRESSURE: 3869400 -10.9754 -233.55 -65.7502 -233.551 -341.38 88.4914 -65.7497 88.4905 -161.45 GPRESSURE: 3869400 32.6728 -194.592 -86.6396 -242.691 -302.27 118.1 -65.6153 93.0894 -135.768 PRESSAVG: 3869400 -24.3084 -21.5056 56.3239 -21.5058 32.1862 59.5715 56.3239 59.5715 -30.7116 GPRESSAVG: 3869400 -25.1091 -21.9181 55.2655 -20.5029 32.6997 57.889 56.4041 60.9291 -30.7972 TIMING: 3869400 CPU: 11506.6, 0.00293599/step Wall: 11506.6, 0.00293599/step, 0.922063 hours remaining, 208.082031 MB of memory in use. ENERGY: 3869400 774.6364 2091.1099 1912.7819 116.9883 -205982.5707 17614.2425 0.0000 0.0000 34144.7141 -149328.0977 298.1943 -183472.8117 -149232.6481 298.2267 -171.2686 -135.1218 559554.8729 -7.6113 -7.7355 PRESSURE: 3869600 -154.355 97.983 150.283 97.9822 113.771 0.564701 150.284 0.563954 61.9891 GPRESSURE: 3869600 -138.075 117.905 168.411 148.371 154.51 11.436 110.596 35.0386 96.2607 PRESSAVG: 3869600 6.19961 40.2095 31.7863 40.2096 51.164 2.7143 31.7863 2.71425 -7.74679 GPRESSAVG: 3869600 6.39695 41.4319 32.7601 39.1277 50.5847 2.98452 29.3889 2.27303 -7.79738 TIMING: 3869600 CPU: 11507.2, 0.0029535/step Wall: 11507.2, 0.0029535/step, 0.9274 hours remaining, 208.082031 MB of memory in use. ENERGY: 3869600 740.8480 2070.4552 1903.4903 109.2134 -206448.5654 17891.0535 0.0000 0.0000 34451.3684 -149282.1366 300.8724 -183733.5050 -149180.0821 299.3867 7.1350 37.5654 557393.8417 16.5390 16.3947 PRESSURE: 3869800 269.912 3.8607 106.253 3.86008 -13.2274 107.041 106.253 107.04 17.9749 GPRESSURE: 3869800 288.439 -59.0195 46.8093 25.2864 45.792 136.612 86.3186 39.7221 36.9586 PRESSAVG: 3869800 -19.5084 74.8989 27.1148 74.899 0.758439 -2.72094 27.1148 -2.72093 37.4383 GPRESSAVG: 3869800 -19.5135 73.7997 27.6633 76.2669 1.35989 -1.51313 28.9848 -4.98815 37.1317 TIMING: 3869800 CPU: 11507.8, 0.00291687/step Wall: 11507.8, 0.00291687/step, 0.915736 hours remaining, 208.082031 MB of memory in use. ENERGY: 3869800 712.3071 2159.4893 1885.5186 107.2420 -206378.7789 17945.0320 0.0000 0.0000 34367.0222 -149202.1678 300.1358 -183569.1900 -149106.9705 299.6784 91.5531 123.7299 557908.5635 6.2294 6.3261 PRESSURE: 3870000 -250.728 -82.4002 39.2996 -82.399 13.2778 -64.4616 39.2992 -64.4609 -261.915 GPRESSURE: 3870000 -223.954 -51.902 52.0086 -56.2343 40.5965 48.5594 11.5393 -111.727 -210.04 PRESSAVG: 3870000 51.8857 -65.5614 -31.8573 -65.5615 -77.1899 6.32956 -31.8573 6.32956 58.9584 GPRESSAVG: 3870000 50.7955 -64.2792 -33.1684 -67.7969 -76.9719 7.35696 -31.8903 7.29795 59.8301 TIMING: 3870000 CPU: 11508.4, 0.00293643/step Wall: 11508.4, 0.00293643/step, 0.921713 hours remaining, 208.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3870000 731.7251 2030.5891 1928.9044 103.5187 -205991.4699 17523.3978 0.0000 0.0000 34383.1956 -149290.1393 300.2770 -183673.3349 -149191.6892 299.5902 -166.4551 -131.1326 558454.6993 11.2181 11.2179 PRESSURE: 3870200 -13.4935 -155.738 -84.6153 -155.737 -95.8221 17.4467 -84.6161 17.4471 -61.1708 GPRESSURE: 3870200 33.5446 -93.8218 -71.6713 -192.567 -60.5475 68.6811 -162.486 7.12199 -39.7405 PRESSAVG: 3870200 52.3176 -57.2259 -35.0963 -57.2259 17.8798 -5.04313 -35.0962 -5.04313 -3.48661 GPRESSAVG: 3870200 54.0382 -56.1988 -35.734 -55.2152 17.9168 -5.81058 -36.2924 -4.54511 -4.7036 TIMING: 3870200 CPU: 11509, 0.00295451/step Wall: 11509, 0.00295451/step, 0.927223 hours remaining, 208.082031 MB of memory in use. ENERGY: 3870200 717.3011 2082.7113 1930.9707 123.4156 -206252.6234 17681.5941 0.0000 0.0000 34336.5652 -149380.0653 299.8698 -183716.6305 -149290.3361 298.6179 -56.8288 -22.2478 556917.4087 22.2370 22.4171 PRESSURE: 3870400 -140.329 -0.625386 -104.256 -0.626449 -22.2789 4.83733 -104.256 4.83624 -22.6649 GPRESSURE: 3870400 -80.8668 -57.6083 -179.815 41.5948 47.9979 -25.3849 -26.1588 15.7846 -61.4249 PRESSAVG: 3870400 13.5333 26.8026 -37.6399 26.8027 37.7297 -71.7771 -37.6399 -71.7772 -95.715 GPRESSAVG: 3870400 13.6265 23.2477 -35.9573 25.299 37.7995 -69.9032 -38.4549 -70.9309 -96.6049 TIMING: 3870400 CPU: 11509.6, 0.00295275/step Wall: 11509.6, 0.00295275/step, 0.926506 hours remaining, 208.082031 MB of memory in use. ENERGY: 3870400 750.3449 2048.9794 1930.6702 114.6165 -206048.2136 17817.4975 0.0000 0.0000 34095.5037 -149290.6014 297.7645 -183386.1051 -149195.2709 298.5906 -61.7576 -31.4313 558436.3215 -14.8174 -15.0596 PRESSURE: 3870600 264.163 42.6619 -7.42025 42.6616 248.651 -93.7709 -7.42025 -93.77 93.6169 GPRESSURE: 3870600 296.524 74.4232 43.3123 -4.73103 318.181 -103.522 25.4612 -15.7447 91.2984 PRESSAVG: 3870600 -6.54686 15.0073 -16.3557 15.0072 83.7132 -6.62416 -16.3557 -6.62419 -46.2976 GPRESSAVG: 3870600 -7.7261 16.3481 -16.4561 15.7043 84.0018 -8.01634 -15.0395 -7.8121 -45.324 TIMING: 3870600 CPU: 11510.2, 0.00294217/step Wall: 11510.2, 0.00294217/step, 0.923024 hours remaining, 208.082031 MB of memory in use. ENERGY: 3870600 716.2476 2119.8930 1921.0788 105.0013 -206715.5316 18258.7651 0.0000 0.0000 34271.8196 -149322.7262 299.3043 -183594.5458 -149228.3982 298.9084 202.1436 235.3346 557314.9275 10.2896 10.3172 PRESSURE: 3870800 266.126 24.8745 25.3797 24.875 36.0751 -61.0204 25.3802 -61.0206 -21.1827 GPRESSURE: 3870800 216.059 63.9407 53.9759 0.0819517 105.04 27.7763 13.0421 -177.349 47.2728 PRESSAVG: 3870800 -30.1071 28.6805 -74.8652 28.6805 30.9318 -56.9048 -74.8653 -56.9046 13.674 GPRESSAVG: 3870800 -28.5108 30.0449 -74.1148 27.9653 29.4834 -55.306 -75.1103 -56.8708 14.059 TIMING: 3870800 CPU: 11510.7, 0.00296155/step Wall: 11510.7, 0.00296155/step, 0.928939 hours remaining, 208.082031 MB of memory in use. ENERGY: 3870800 746.2487 2076.2404 1919.8080 119.2222 -206263.6145 17955.4343 0.0000 0.0000 34107.2936 -149339.3673 297.8675 -183446.6609 -149244.5813 298.5209 93.6728 122.7908 557208.6742 4.8329 5.0105 PRESSURE: 3871000 179.517 -228.211 76.8592 -228.21 51.2462 -23.4119 76.8585 -23.4127 55.1153 GPRESSURE: 3871000 207.504 -207.942 122.643 -184.708 86.7049 -92.5505 28.6183 58.5269 73.1633 PRESSAVG: 3871000 -60.1472 -71.7998 1.4245 -71.7998 13.5121 -19.3462 1.42451 -19.3463 -6.61156 GPRESSAVG: 3871000 -61.4273 -72.9119 0.246261 -70.796 14.2721 -21.1207 0.360604 -20.024 -5.78538 TIMING: 3871000 CPU: 11511.3, 0.00294892/step Wall: 11511.3, 0.00294892/step, 0.924815 hours remaining, 208.082031 MB of memory in use. ENERGY: 3871000 711.7285 2071.0680 1935.3454 124.0428 -206157.5735 17768.9142 0.0000 0.0000 33995.3976 -149551.0771 296.8903 -183546.4747 -149455.9203 298.2138 95.2928 122.4574 555638.8114 -17.7489 -17.6469 PRESSURE: 3871200 -4.01775 -46.7442 41.3549 -46.7447 -267.185 30.6642 41.3525 30.6657 -101.75 GPRESSURE: 3871200 -3.09822 -16.1014 79.9013 -19.7159 -177.878 -67.7423 79.4519 66.1885 -89.5975 PRESSAVG: 3871200 0.778887 -14.7378 1.47066 -14.7379 7.96058 62.429 1.47072 62.429 20.4225 GPRESSAVG: 3871200 2.17802 -14.6997 2.60845 -16.7604 7.47187 62.8512 1.89633 62.2089 19.6554 TIMING: 3871200 CPU: 11511.9, 0.00295535/step Wall: 11511.9, 0.00295535/step, 0.926666 hours remaining, 208.082031 MB of memory in use. ENERGY: 3871200 784.8190 2099.9200 1944.5461 108.0827 -206288.3427 17691.9364 0.0000 0.0000 34285.3265 -149373.7121 299.4223 -183659.0386 -149277.6482 298.9636 -124.3177 -90.1914 557765.3611 9.7206 9.7684 PRESSURE: 3871400 -68.5759 75.707 -122.53 75.707 -107.832 41.5578 -122.529 41.5567 251.204 GPRESSURE: 3871400 -61.2723 -28.7799 -105.282 65.2425 -88.4937 -31.559 -101.807 32.6145 323.983 PRESSAVG: 3871400 13.9235 -58.9407 -6.124 -58.9407 -19.3302 -29.7884 -6.1241 -29.7883 59.1404 GPRESSAVG: 3871400 12.3135 -59.8747 -5.68515 -57.706 -17.9335 -28.655 -8.00371 -29.5224 59.5362 TIMING: 3871400 CPU: 11512.5, 0.00295076/step Wall: 11512.5, 0.00295076/step, 0.925062 hours remaining, 208.082031 MB of memory in use. ENERGY: 3871400 718.7457 2081.9473 1926.4727 114.9874 -206489.2617 17944.2814 0.0000 0.0000 34108.7344 -149594.0929 297.8801 -183702.8272 -149495.2452 299.2295 24.9321 58.0723 557456.4237 17.9112 17.9721 PRESSURE: 3871600 -327.676 -239.211 162.216 -239.212 -255.367 -147.503 162.216 -147.504 -235.127 GPRESSURE: 3871600 -281.648 -165.198 62.8911 -217.773 -227.709 -112.292 123.479 -149.813 -213.682 PRESSAVG: 3871600 -18.4869 -28.6844 -52.3706 -28.6844 -6.8031 -1.19736 -52.3705 -1.19734 14.975 GPRESSAVG: 3871600 -17.3478 -27.0983 -54.6517 -29.3709 -7.5262 -1.48785 -49.1584 -0.278141 14.5304 TIMING: 3871600 CPU: 11513.1, 0.00292717/step Wall: 11513.1, 0.00292717/step, 0.917504 hours remaining, 208.082031 MB of memory in use. ENERGY: 3871600 736.8158 2109.2866 1942.6687 116.9284 -206205.5698 17548.9158 0.0000 0.0000 34184.5758 -149566.3786 298.5424 -183750.9545 -149463.8875 298.6296 -272.7232 -241.0130 558426.5502 -3.4383 -3.4478 PRESSURE: 3871800 151.442 -81.6823 26.6286 -81.6838 -65.6313 -20.8878 26.6297 -20.8878 -188.782 GPRESSURE: 3871800 180.098 -49.4262 93.6173 -73.5634 -22.4325 4.57845 21.1006 -8.79708 -157.95 PRESSAVG: 3871800 27.445 -10.1686 15.3421 -10.1685 -31.083 -60.3015 15.342 -60.3014 -68.0983 GPRESSAVG: 3871800 27.0227 -10.3409 16.7976 -11.2532 -30.8577 -58.7342 13.2707 -61.8009 -67.375 TIMING: 3871800 CPU: 11513.7, 0.00293728/step Wall: 11513.7, 0.00293728/step, 0.920512 hours remaining, 208.082031 MB of memory in use. ENERGY: 3871800 741.7570 2107.9365 1932.0945 104.7137 -206734.0234 17913.6431 0.0000 0.0000 34332.3530 -149601.5255 299.8330 -183933.8785 -149508.5712 298.6858 -34.3240 -0.0949 557233.4489 -23.9121 -23.7367 PRESSURE: 3872000 114.563 53.853 152.884 53.8531 160.289 -137.11 152.884 -137.11 -91.9722 GPRESSURE: 3872000 121.56 25.4223 77.7111 35.956 162.405 -96.3096 165.33 -134.503 8.4991 PRESSAVG: 3872000 61.3627 15.5964 110.917 15.5965 23.318 -23.2906 110.917 -23.2905 -77.576 GPRESSAVG: 3872000 62.5381 14.3225 110.649 16.8765 22.9441 -27.3729 112.633 -21.6695 -77.9732 TIMING: 3872000 CPU: 11514.3, 0.00298778/step Wall: 11514.3, 0.00298778/step, 0.936172 hours remaining, 208.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3872000 780.2945 2042.0128 1935.7592 118.2570 -206759.8276 18128.6235 0.0000 0.0000 34220.0482 -149534.8323 298.8522 -183754.8805 -149441.5872 298.2296 60.9601 97.4880 556789.5777 2.3682 2.5030 PRESSURE: 3872200 -176.901 14.6807 -119.435 14.6805 34.9514 -68.993 -119.434 -68.9929 -180.496 GPRESSURE: 3872200 -183.241 15.7533 -67.8887 10.053 64.8981 -137.486 -33.1352 -47.4464 -108.684 PRESSAVG: 3872200 -11.1259 11.4819 8.34539 11.4818 48.7544 -15.3456 8.34544 -15.3455 -33.6695 GPRESSAVG: 3872200 -12.1699 12.0964 6.30771 11.6162 49.7663 -15.4298 9.32978 -14.6706 -33.646 TIMING: 3872200 CPU: 11514.9, 0.00293163/step Wall: 11514.9, 0.00293163/step, 0.918414 hours remaining, 208.082031 MB of memory in use. ENERGY: 3872200 765.0635 2036.4650 1928.4640 105.2762 -206182.1672 17701.6081 0.0000 0.0000 34118.6038 -149526.6867 297.9663 -183645.2904 -149429.7660 298.5013 -107.4818 -75.6758 557195.0276 1.3197 1.3168 LDB: ============= START OF LOAD BALANCING ============== 11518.4 LDB: ============== END OF LOAD BALANCING =============== 11518.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11518.4 LDB: ============= START OF LOAD BALANCING ============== 11518.7 LDB: Largest compute 4801 load 0.022218 is 18.8% of average load 0.118259 LDB: Average compute 0.001740 is 1.5% of average load 0.118259 LDB: TIME 11518.7 LOAD: AVG 0.118259 MAX 0.196341 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.312 MB LDB: TIME 11518.7 LOAD: AVG 0.118259 MAX 0.196341 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.312 MB LDB: TIME 11518.7 LOAD: AVG 0.118259 MAX 0.196341 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.312 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11518.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11518.7 PRESSURE: 3872400 361.122 22.6735 10.8243 22.6728 -136.745 -88.4592 10.8249 -88.4614 -198.595 GPRESSURE: 3872400 400.81 -46.0093 -56.8844 86.019 -102.259 -97.4819 -39.5688 0.440525 -166.843 PRESSAVG: 3872400 42.2161 66.4546 -21.1455 66.4546 8.73354 -42.4542 -21.1455 -42.4542 -60.9536 GPRESSAVG: 3872400 42.3125 65.257 -19.1542 67.0185 8.28742 -41.6539 -22.0583 -42.2754 -61.1906 TIMING: 3872400 CPU: 11515.5, 0.00299254/step Wall: 11515.5, 0.00299254/step, 0.93733 hours remaining, 207.253906 MB of memory in use. ENERGY: 3872400 744.1498 2054.6125 1929.4808 108.1808 -206480.3226 17805.6378 0.0000 0.0000 34330.6102 -149507.6508 299.8178 -183838.2610 -149409.2517 298.3169 8.5942 43.9025 554110.6115 -3.3347 -3.5302 PRESSURE: 3872600 -201.891 64.9198 -76.3838 64.9204 -148.247 122.12 -76.3845 122.12 -124.308 GPRESSURE: 3872600 -160.264 107.863 -162.346 38.2467 -140.673 66.5236 -22.4315 138.601 -77.6126 PRESSAVG: 3872600 11.7661 57.4147 29.6935 57.4147 46.5347 -49.9278 29.6935 -49.9279 -34.4673 GPRESSAVG: 3872600 11.6462 58.6149 29.4759 55.7561 46.855 -50.4262 27.5829 -49.612 -34.1702 TIMING: 3872600 CPU: 11516.1, 0.00294682/step Wall: 11516.1, 0.00294682/step, 0.922846 hours remaining, 207.253906 MB of memory in use. ENERGY: 3872600 731.6873 2086.9108 1950.3253 102.0827 -206210.5183 17658.9843 0.0000 0.0000 34393.6622 -149286.8657 300.3684 -183680.5279 -149194.8174 299.0793 -158.1490 -126.1835 556562.4258 7.9445 8.1103 PRESSURE: 3872800 181.232 44.3955 25.1357 44.3953 -58.152 185.115 25.1355 185.117 -44.9998 GPRESSURE: 3872800 213.959 83.496 -28.8921 -19.1647 -1.33884 292.091 46.945 154.21 -21.4867 PRESSAVG: 3872800 12.0593 63.8773 -18.8998 63.8773 -37.1663 -0.852062 -18.8997 -0.851987 86.3903 GPRESSAVG: 3872800 12.6146 64.7736 -19.9552 64.7732 -36.8485 -0.246364 -16.1901 -2.02522 85.7611 TIMING: 3872800 CPU: 11516.6, 0.00291109/step Wall: 11516.6, 0.00291109/step, 0.911494 hours remaining, 207.253906 MB of memory in use. ENERGY: 3872800 754.3309 2186.8109 1944.9135 120.4988 -206356.0699 17792.2214 0.0000 0.0000 34223.8764 -149333.4180 298.8856 -183557.2944 -149229.4875 299.2315 26.0267 63.7113 555236.7507 20.4278 20.5091 PRESSURE: 3873000 -275.257 -131.641 -30.1751 -131.639 -108.5 24.2039 -30.174 24.2046 -54.5712 GPRESSURE: 3873000 -203.237 -14.9241 -31.2753 -254.376 -130.537 35.0343 -68.725 15.716 -16.4209 PRESSAVG: 3873000 16.193 5.91502 -67.015 5.91508 -24.4389 9.69081 -67.0149 9.69072 -33.0444 GPRESSAVG: 3873000 15.9372 6.42575 -63.8619 3.41704 -24.6705 7.79604 -68.446 11.5869 -32.5701 TIMING: 3873000 CPU: 11517.2, 0.00294245/step Wall: 11517.2, 0.00294245/step, 0.921149 hours remaining, 207.253906 MB of memory in use. ENERGY: 3873000 789.5197 2068.9175 1924.4122 99.5933 -206284.5948 17690.0010 0.0000 0.0000 34404.7243 -149307.4268 300.4650 -183712.1510 -149200.5549 299.4032 -146.1095 -116.7317 557165.9050 -13.7635 -13.7678 PRESSURE: 3873200 18.189 131.755 -218.424 131.754 99.7991 -154.929 -218.424 -154.928 342.029 GPRESSURE: 3873200 25.2976 216.44 -172.053 40.5255 189.004 -100.627 -162.21 -212.6 335.197 PRESSAVG: 3873200 2.73221 -15.3199 -60.2218 -15.32 27.3419 17.3558 -60.2219 17.3558 9.48549 GPRESSAVG: 3873200 3.71209 -18.3461 -62.1224 -12.6687 27.0717 17.3753 -59.973 17.5185 8.68232 TIMING: 3873200 CPU: 11517.8, 0.00294456/step Wall: 11517.8, 0.00294456/step, 0.921646 hours remaining, 207.253906 MB of memory in use. ENERGY: 3873200 741.8375 2060.4938 1938.8333 118.3255 -206384.8313 18094.4102 0.0000 0.0000 34222.9368 -149207.9942 298.8774 -183430.9310 -149108.7602 300.0182 153.3390 183.1662 557309.8329 13.1865 13.1554 PRESSURE: 3873400 -29.498 45.5055 0.293985 45.5046 -152.798 -60.9189 0.294317 -60.9216 59.4657 GPRESSURE: 3873400 -24.2642 106.29 -72.936 64.1098 -148.631 -66.9449 -7.20189 -33.8392 128.321 PRESSAVG: 3873400 4.59236 18.3279 27.2407 18.3278 -111.262 -63.8641 27.2406 -63.8641 52.5503 GPRESSAVG: 3873400 4.82507 16.2599 26.7472 20.4111 -111.32 -62.494 27.6399 -66.6642 52.5511 TIMING: 3873400 CPU: 11518.4, 0.00295141/step Wall: 11518.4, 0.00295141/step, 0.923627 hours remaining, 207.253906 MB of memory in use. ENERGY: 3873400 740.0847 2137.9221 1932.7977 107.0956 -206164.5438 17687.7085 0.0000 0.0000 34392.4222 -149166.5130 300.3576 -183558.9352 -149073.3237 299.6911 -40.9436 -14.8581 557394.9224 -18.0399 -17.9811 PRESSURE: 3873600 -36.4888 142.231 190.543 142.231 -176.925 -191.929 190.543 -191.93 120.055 GPRESSURE: 3873600 -20.9247 99.6792 200.331 173.099 -192.873 -214.43 229.603 -257.027 212.022 PRESSAVG: 3873600 39.3768 20.8562 5.46376 20.8562 -58.0179 -27.6477 5.46385 -27.6477 -20.016 GPRESSAVG: 3873600 37.3465 23.1787 8.51205 18.5686 -57.1165 -27.0169 5.02117 -27.619 -18.919 TIMING: 3873600 CPU: 11519, 0.00293983/step Wall: 11519, 0.00293983/step, 0.919841 hours remaining, 207.253906 MB of memory in use. ENERGY: 3873600 760.0868 2073.0149 1901.8634 113.4543 -206122.0761 17760.6417 0.0000 0.0000 34530.6039 -148982.4111 301.5644 -183513.0150 -148888.2904 299.9280 -31.1194 -0.5920 557613.9027 -12.8857 -12.8963 PRESSURE: 3873800 -96.6251 209.324 -45.7321 209.324 -167.951 32.3086 -45.7334 32.3084 196.422 GPRESSURE: 3873800 -45.3777 258.253 -0.697409 125.822 -105.269 54.6767 -99.7065 77.8965 177.36 PRESSAVG: 3873800 2.083 22.6546 46.1912 22.6546 -50.0202 -7.10962 46.1911 -7.10948 60.9049 GPRESSAVG: 3873800 3.49882 23.6587 43.31 21.5232 -52.3101 -8.51608 45.3698 -6.13132 61.6102 TIMING: 3873800 CPU: 11519.6, 0.00292856/step Wall: 11519.6, 0.00292856/step, 0.916152 hours remaining, 207.253906 MB of memory in use. ENERGY: 3873800 771.0858 2182.7928 1880.3917 119.0557 -205846.9346 17731.2484 0.0000 0.0000 34464.4857 -148697.8746 300.9869 -183162.3602 -148604.9918 300.8081 -22.7180 8.9047 556322.0676 4.3226 4.2663 PRESSURE: 3874000 -57.6727 116.391 -47.5515 116.391 326.202 95.9911 -47.5524 95.9932 -40.5139 GPRESSURE: 3874000 0.506401 111.89 -49.1824 27.3305 351.609 77.5604 -10.2049 132.408 -19.2711 PRESSAVG: 3874000 -19.2295 22.9327 13.8885 22.9327 14.3284 -10.9947 13.8885 -10.9946 38.5874 GPRESSAVG: 3874000 -18.9209 22.6977 13.5532 21.5845 15.3697 -9.77896 15.1591 -9.55932 37.2012 TIMING: 3874000 CPU: 11520.2, 0.00293514/step Wall: 11520.2, 0.00293514/step, 0.918048 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3874000 750.8340 2147.7677 1938.0805 131.2470 -205942.8565 17831.4038 0.0000 0.0000 34341.8706 -148801.6530 299.9161 -183143.5236 -148709.8636 301.1626 76.0051 110.9482 557105.5770 11.2288 11.2166 PRESSURE: 3874200 -26.4405 2.29523 -70.0048 2.29696 122.147 10.6599 -70.0058 10.6601 154.405 GPRESSURE: 3874200 36.7792 -75.7012 -28.0077 -18.107 146.672 21.9701 -113.19 -22.9819 170.264 PRESSAVG: 3874200 -5.03141 7.06277 -11.9886 7.06274 26.8178 -16.1833 -11.9886 -16.1834 36.9952 GPRESSAVG: 3874200 -5.58777 6.27264 -12.1044 10.2736 27.2927 -16.3066 -11.6093 -16.6026 37.288 TIMING: 3874200 CPU: 11520.8, 0.00295675/step Wall: 11520.8, 0.00295675/step, 0.92464 hours remaining, 207.253906 MB of memory in use. ENERGY: 3874200 743.7904 2068.8336 1879.0749 114.1299 -205772.4167 17780.0437 0.0000 0.0000 34471.6784 -148714.8659 301.0497 -183186.5443 -148615.6921 300.8544 83.3704 117.9050 556845.3313 19.5939 19.6643 PRESSURE: 3874400 -81.6649 -127.259 -192.36 -127.258 -313.313 110.421 -192.359 110.421 -23.6929 GPRESSURE: 3874400 -75.3747 -109.423 -145.053 -97.4699 -249.532 59.2904 -277.827 153.44 11.1265 PRESSAVG: 3874400 -67.7923 -40.3334 -56.0442 -40.3333 22.1534 20.0419 -56.0442 20.0419 30.4025 GPRESSAVG: 3874400 -67.5747 -39.3892 -53.6077 -41.3608 22.1612 19.6871 -57.3281 17.6041 30.6232 TIMING: 3874400 CPU: 11521.4, 0.00294059/step Wall: 11521.4, 0.00294059/step, 0.919425 hours remaining, 207.253906 MB of memory in use. ENERGY: 3874400 746.1812 2158.5676 1917.7067 115.1788 -205750.8231 17551.3223 0.0000 0.0000 34474.0616 -148787.8049 301.0706 -183261.8665 -148695.2360 301.0376 -139.5571 -104.5935 557658.3244 -5.0788 -4.9301 PRESSURE: 3874600 19.7762 5.19219 91.2589 5.19195 74.8019 88.9353 91.2583 88.9344 -304.471 GPRESSURE: 3874600 50.9174 -12.7093 86.5517 -20.6498 110.268 96.4408 68.4831 18.4368 -279.166 PRESSAVG: 3874600 -39.8474 -15.2946 -12.8868 -15.2947 87.2898 -5.47972 -12.8868 -5.4796 -66.2748 GPRESSAVG: 3874600 -39.2179 -15.5197 -13.309 -16.5837 87.0316 -7.04777 -12.2965 -5.03639 -66.3678 TIMING: 3874600 CPU: 11521.9, 0.00293611/step Wall: 11521.9, 0.00293611/step, 0.91786 hours remaining, 207.253906 MB of memory in use. ENERGY: 3874600 741.8366 2127.1166 1903.4387 119.7365 -205658.8086 17630.6757 0.0000 0.0000 34376.6863 -148759.3182 300.2202 -183136.0046 -148659.7088 300.8389 -69.9642 -39.3269 557904.3508 -6.2775 -6.1847 PRESSURE: 3874800 -120.171 -63.6744 -63.4129 -63.6741 -347.02 81.642 -63.4117 81.6422 -165.579 GPRESSURE: 3874800 -92.5559 -72.1902 -160.88 51.7611 -310.775 88.7152 -31.0038 64.7239 -127.712 PRESSAVG: 3874800 15.8626 -76.821 18.5518 -76.821 23.0821 18.5244 18.5518 18.5244 -68.1035 GPRESSAVG: 3874800 15.7439 -77.7601 16.5089 -74.5077 23.7713 19.3705 19.4056 20.2178 -68.2606 TIMING: 3874800 CPU: 11522.5, 0.00293105/step Wall: 11522.5, 0.00293105/step, 0.916116 hours remaining, 207.253906 MB of memory in use. ENERGY: 3874800 744.9509 2181.9997 1937.6549 103.1618 -205746.6801 17464.8347 0.0000 0.0000 34615.0211 -148699.0571 302.3016 -183314.0782 -148606.9755 301.1911 -210.9233 -177.0143 557971.7283 -9.7196 -9.5818 PRESSURE: 3875000 -17.6815 -22.9837 -23.5058 -22.9834 40.2773 -85.9567 -23.5071 -85.958 4.41711 GPRESSURE: 3875000 19.0196 -59.2471 -86.2907 -55.6276 79.3149 -57.4609 -35.3763 -115.168 22.5992 PRESSAVG: 3875000 24.699 -5.41303 27.9605 -5.41297 -15.4195 -16.3886 27.9605 -16.3887 -39.5663 GPRESSAVG: 3875000 23.2932 -6.82179 29.159 -6.67965 -15.5162 -17.6417 26.0571 -14.6916 -38.4978 TIMING: 3875000 CPU: 11523.1, 0.00293491/step Wall: 11523.1, 0.00293491/step, 0.917161 hours remaining, 207.253906 MB of memory in use. ENERGY: 3875000 745.1434 2109.5181 1944.7635 119.2393 -205919.0468 17820.2281 0.0000 0.0000 34333.0071 -148847.1472 299.8387 -183180.1543 -148747.8871 300.7903 9.0043 40.3112 557668.3635 -10.0956 -10.2403 PRESSURE: 3875200 30.9524 54.6147 48.8784 54.6149 -35.1284 -185.919 48.8802 -185.919 484.462 GPRESSURE: 3875200 83.2899 5.45668 106.752 13.4488 24.0091 -125.311 41.8912 -227.389 475.82 PRESSAVG: 3875200 19.3229 0.977839 44.8558 0.977823 55.9839 -41.2995 44.8558 -41.2994 -34.2656 GPRESSAVG: 3875200 19.8954 2.63679 45.5496 1.75866 56.0007 -41.3755 43.8 -42.9285 -34.5587 TIMING: 3875200 CPU: 11523.7, 0.00293976/step Wall: 11523.7, 0.00293976/step, 0.918512 hours remaining, 207.253906 MB of memory in use. ENERGY: 3875200 708.0583 2122.7176 1900.8521 99.1953 -205856.9134 17875.4164 0.0000 0.0000 34331.3198 -148819.3540 299.8240 -183150.6738 -148710.3337 300.8716 160.0953 194.3730 557977.4732 13.6804 13.7791 PRESSURE: 3875400 178.1 51.4587 96.9111 51.4583 104.823 42.8184 96.9127 42.8192 -67.7874 GPRESSURE: 3875400 231.447 85.8371 85.8948 -27.7214 66.0744 -27.3789 64.6309 108.707 10.1112 PRESSAVG: 3875400 -59.7894 6.18016 59.1046 6.1802 61.322 -41.1566 59.1046 -41.1567 -38.3216 GPRESSAVG: 3875400 -59.5912 5.40172 59.0369 5.70287 61.6727 -41.5604 62.0052 -39.4656 -39.0004 TIMING: 3875400 CPU: 11524.3, 0.00296527/step Wall: 11524.3, 0.00296527/step, 0.926317 hours remaining, 207.253906 MB of memory in use. ENERGY: 3875400 752.0965 2109.4789 1922.1592 115.1410 -205988.1322 17900.0365 0.0000 0.0000 34254.2393 -148934.9807 299.1508 -183189.2200 -148840.7746 300.0615 71.7118 102.5441 557225.6734 -12.2630 -12.3063 PRESSURE: 3875600 47.6669 -38.0368 97.7807 -38.0357 -4.73607 4.71461 97.7805 4.71372 -323.325 GPRESSURE: 3875600 96.8326 16.5808 125.671 -79.3353 -14.6274 -40.3479 -22.1397 27.0036 -271.761 PRESSAVG: 3875600 -7.58102 -41.0486 32.1866 -41.0486 67.7923 -31.8114 32.1867 -31.8115 -73.5747 GPRESSAVG: 3875600 -7.38762 -40.775 31.8223 -41.2124 67.7847 -30.9427 29.8329 -33.727 -73.455 TIMING: 3875600 CPU: 11524.9, 0.0029454/step Wall: 11524.9, 0.0029454/step, 0.919947 hours remaining, 207.253906 MB of memory in use. ENERGY: 3875600 776.3363 2131.8663 1917.8375 120.5060 -205986.0192 17810.1465 0.0000 0.0000 34014.9926 -149214.3340 297.0614 -183229.3266 -149120.6249 299.9919 -93.4647 -63.1853 559266.3162 -4.4545 -4.3526 PRESSURE: 3875800 -351.901 51.7759 -32.9989 51.7755 12.3351 -40.2776 -32.9999 -40.2783 -244.772 GPRESSURE: 3875800 -263.498 27.9643 162.118 87.265 29.2608 62.4932 -92.5494 -110.315 -254.271 PRESSAVG: 3875800 24.1281 -3.54196 9.21902 -3.54194 51.7228 -12.9936 9.21904 -12.9936 -42.5838 GPRESSAVG: 3875800 23.9031 -3.57103 9.85464 -4.99147 50.6358 -13.475 9.72694 -14.8597 -41.3465 TIMING: 3875800 CPU: 11525.5, 0.00292062/step Wall: 11525.5, 0.00292062/step, 0.912046 hours remaining, 207.253906 MB of memory in use. ENERGY: 3875800 756.1634 2075.1948 1921.6402 105.8415 -205893.2355 17523.7502 0.0000 0.0000 34322.1296 -149188.5158 299.7437 -183510.6455 -149091.4717 299.5156 -194.7790 -162.8360 558248.3613 11.0890 11.0641 PRESSURE: 3876000 -83.6989 -22.5833 27.9026 -22.5831 137.296 -50.1018 27.902 -50.1024 62.175 GPRESSURE: 3876000 -56.2499 -47.5602 9.93229 -51.8452 141.98 -76.0041 58.5951 -51.4197 123.358 PRESSAVG: 3876000 26.5845 -68.4643 0.788713 -68.4643 8.05911 18.2744 0.788655 18.2744 -49.4335 GPRESSAVG: 3876000 26.2437 -69.7505 0.757296 -67.1979 9.02533 19.3939 0.861573 21.5891 -50.3296 TIMING: 3876000 CPU: 11526.1, 0.00293385/step Wall: 11526.1, 0.00293385/step, 0.916014 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3876000 774.2705 2148.4369 1899.3061 128.2156 -206177.4744 17893.9888 0.0000 0.0000 34152.4154 -149180.8412 298.2615 -183333.2565 -149089.1697 299.7643 38.5907 69.6961 556402.3611 -4.9299 -5.0202 PRESSURE: 3876200 -168.828 -61.7814 90.697 -61.7817 -13.0411 -117.13 90.6964 -117.13 -145.322 GPRESSURE: 3876200 -194.041 -51.5127 108.436 18.2323 69.0335 -184.987 56.852 -45.187 -100.83 PRESSAVG: 3876200 -23.6366 -0.135397 -14.8108 -0.135329 36.6465 36.6117 -14.8108 36.6116 -1.08516 GPRESSAVG: 3876200 -22.5675 0.0179994 -15.6813 0.10129 36.2285 37.4217 -15.1503 34.3646 -1.8476 TIMING: 3876200 CPU: 11526.6, 0.00293666/step Wall: 11526.6, 0.00293666/step, 0.916726 hours remaining, 207.253906 MB of memory in use. ENERGY: 3876200 757.6492 2134.2928 1874.7352 112.0566 -205852.9160 17579.4635 0.0000 0.0000 34227.2753 -149167.4434 298.9153 -183394.7187 -149073.3970 299.6138 -109.0637 -75.2792 557765.5406 3.9749 3.9378 LDB: ============= START OF LOAD BALANCING ============== 11530.2 LDB: ============== END OF LOAD BALANCING =============== 11530.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11530.2 LDB: ============= START OF LOAD BALANCING ============== 11530.5 LDB: Largest compute 4801 load 0.021644 is 18.3% of average load 0.118303 LDB: Average compute 0.001734 is 1.5% of average load 0.118303 LDB: TIME 11530.5 LOAD: AVG 0.118303 MAX 0.195756 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.188 MB LDB: TIME 11530.5 LOAD: AVG 0.118303 MAX 0.195756 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.188 MB LDB: TIME 11530.5 LOAD: AVG 0.118303 MAX 0.195756 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11530.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11530.5 PRESSURE: 3876400 105.659 -146.441 41.1342 -146.441 225.64 -118.1 41.1345 -118.098 -144.666 GPRESSURE: 3876400 112.176 -137.195 38.6019 -78.6041 215.16 -101.039 54.1402 -66.0604 -51.4508 PRESSAVG: 3876400 -41.0173 5.64814 35.0647 5.64807 19.9129 -19.5803 35.0648 -19.5803 20.881 GPRESSAVG: 3876400 -42.9593 6.53678 35.2656 5.91496 20.2594 -18.9215 36.9838 -19.067 22.0215 TIMING: 3876400 CPU: 11527.2, 0.00297259/step Wall: 11527.2, 0.00297259/step, 0.927779 hours remaining, 208.019531 MB of memory in use. ENERGY: 3876400 724.8663 2135.2903 1920.3851 120.1122 -205963.3428 17737.0027 0.0000 0.0000 34371.8832 -148953.8030 300.1782 -183325.6862 -148856.9447 300.6893 62.2109 91.9618 556027.2556 -0.0745 -0.2261 PRESSURE: 3876600 233.369 32.9838 95.3766 32.9826 167.187 73.277 95.3765 73.2767 115.335 GPRESSURE: 3876600 265.727 92.1106 54.9449 20.6757 238.089 133.561 188.556 41.0269 102.018 PRESSAVG: 3876600 -60.5396 -37.6052 9.74994 -37.6052 12.7864 -44.3647 9.75006 -44.3646 2.99579 GPRESSAVG: 3876600 -59.7857 -36.9532 10.1866 -37.7282 12.5148 -44.3898 7.51042 -44.869 2.86218 TIMING: 3876600 CPU: 11527.8, 0.00289214/step Wall: 11527.8, 0.00289214/step, 0.902508 hours remaining, 208.019531 MB of memory in use. ENERGY: 3876600 741.3612 2112.5427 1906.1942 112.1569 -206407.6796 17991.9484 0.0000 0.0000 34515.6010 -149027.8752 301.4333 -183543.4762 -148935.7601 300.4808 171.9635 201.9447 556926.9812 -14.9192 -14.8029 PRESSURE: 3876800 153.541 229.908 -179.984 229.908 -85.0977 20.7617 -179.984 20.7606 -111.59 GPRESSURE: 3876800 118.768 178.216 -98.3237 209.713 -19.9671 -0.0796529 -172.53 44.2208 -36.5206 PRESSAVG: 3876800 -12.6043 23.4305 76.4038 23.4305 17.763 -10.9729 76.4039 -10.973 5.2317 GPRESSAVG: 3876800 -11.2439 22.8237 76.1453 24.501 16.9802 -12.1168 78.1098 -11.3662 5.32787 TIMING: 3876800 CPU: 11528.4, 0.00291972/step Wall: 11528.4, 0.00291972/step, 0.910953 hours remaining, 208.019531 MB of memory in use. ENERGY: 3876800 770.2266 2148.5141 1883.2125 110.1416 -205947.0868 17572.9293 0.0000 0.0000 34350.2317 -149111.8310 299.9891 -183462.0628 -149018.3184 299.8342 -14.3824 20.7599 556387.7721 3.4635 3.6880 PRESSURE: 3877000 70.1517 221.948 53.332 221.948 -184.425 -43.0234 53.3315 -43.0232 72.7996 GPRESSURE: 3877000 102.695 120.1 97.6832 195.627 -149.104 50.5478 -5.54598 -114.398 102.951 PRESSAVG: 3877000 -2.9672 -1.94998 30.302 -1.95006 -32.13 -8.66264 30.302 -8.66275 8.64827 GPRESSAVG: 3877000 -2.58849 -2.54584 31.3759 -1.21384 -30.5475 -8.65842 27.2484 -8.15938 6.81499 TIMING: 3877000 CPU: 11529, 0.00292341/step Wall: 11529, 0.00292341/step, 0.911942 hours remaining, 208.019531 MB of memory in use. ENERGY: 3877000 769.3254 2150.6477 1927.9411 112.3012 -206084.6144 17827.2480 0.0000 0.0000 34174.4257 -149122.7252 298.4538 -183297.1509 -149027.9586 300.2309 -13.8245 18.8472 556744.6851 -8.8163 -8.7737 PRESSURE: 3877200 -174.749 105.647 -128.818 105.648 219.631 -170.228 -128.817 -170.229 231.146 GPRESSURE: 3877200 -123.23 70.4403 -172.318 78.0152 211.596 -160.26 -79.2299 -148.262 299.269 PRESSAVG: 3877200 -41.4215 19.1477 15.6168 19.1476 -23.4791 -65.5555 15.6169 -65.5556 44.9332 GPRESSAVG: 3877200 -42.3254 19.2668 16.0139 17.4655 -24.4785 -65.2433 17.888 -64.8242 46.4802 TIMING: 3877200 CPU: 11529.6, 0.00293984/step Wall: 11529.6, 0.00293984/step, 0.916904 hours remaining, 208.019531 MB of memory in use. ENERGY: 3877200 774.3393 2119.6279 1915.5895 105.4176 -206307.2169 17878.7260 0.0000 0.0000 34451.6256 -149061.8909 300.8746 -183513.5165 -148965.1079 299.8936 92.0094 129.2115 555321.3858 -6.6558 -6.7746 PRESSURE: 3877400 27.2106 -34.6087 -48.1971 -34.6094 104.087 168.595 -48.1964 168.594 30.3576 GPRESSURE: 3877400 34.7383 -19.7365 -16.768 -29.3165 135.374 184.806 -51.5186 241.389 87.5201 PRESSAVG: 3877400 -15.6642 -37.4871 30.7254 -37.4872 -23.0568 -13.4815 30.7255 -13.4815 65.6985 GPRESSAVG: 3877400 -14.0515 -37.319 29.4895 -36.7974 -23.5335 -14.8344 30.1759 -12.083 65.2107 TIMING: 3877400 CPU: 11530.2, 0.00293633/step Wall: 11530.2, 0.00293633/step, 0.915646 hours remaining, 208.019531 MB of memory in use. ENERGY: 3877400 769.6405 2084.9975 1927.9714 109.6348 -206411.6870 17947.6978 0.0000 0.0000 34482.6754 -149089.0695 301.1458 -183571.7449 -148996.3897 300.1372 53.8852 85.8775 556124.0045 8.9925 9.2086 PRESSURE: 3877600 -18.216 -98.8698 60.6882 -98.8693 334.641 -161.246 60.6893 -161.246 241.881 GPRESSURE: 3877600 103.662 -96.5054 66.7855 -67.4295 338.575 -153.638 18.7442 -185.339 227.055 PRESSAVG: 3877600 -50.5251 16.7603 18.9995 16.7602 -12.3436 -60.1453 18.9995 -60.1454 28.2611 GPRESSAVG: 3877600 -50.2225 14.8252 19.7213 16.977 -10.8781 -59.1951 18.8997 -62.8372 27.063 TIMING: 3877600 CPU: 11530.8, 0.00297365/step Wall: 11530.8, 0.00297365/step, 0.927117 hours remaining, 208.019531 MB of memory in use. ENERGY: 3877600 745.2151 2103.8802 1929.2678 108.0312 -206534.1548 18183.1397 0.0000 0.0000 34289.5342 -149175.0866 299.4590 -183464.6208 -149078.0484 299.7720 186.1020 223.0974 555696.3358 -11.5358 -11.3459 PRESSURE: 3877800 65.2214 49.7838 -115.57 49.7832 -3.41666 75.4301 -115.569 75.4301 97.9451 GPRESSURE: 3877800 25.5753 9.79189 -57.0839 122.552 98.2612 111.142 -180.059 130.573 124.997 PRESSAVG: 3877800 22.0631 -11.2591 29.0665 -11.2591 -12.8447 -41.3212 29.0666 -41.3213 34.2022 GPRESSAVG: 3877800 22.6217 -9.33566 28.8374 -11.187 -13.8128 -41.7548 29.9275 -39.6911 34.6282 TIMING: 3877800 CPU: 11531.3, 0.00295709/step Wall: 11531.3, 0.00295709/step, 0.92179 hours remaining, 208.019531 MB of memory in use. ENERGY: 3877800 735.5956 2100.6958 1931.0032 132.8651 -206400.0892 17792.8474 0.0000 0.0000 34430.0149 -149277.0672 300.6859 -183707.0821 -149180.3412 299.4694 53.2499 82.9444 556920.9228 14.4735 14.4791 PRESSURE: 3878000 193.226 69.7841 86.6245 69.7844 -87.0941 150.389 86.624 150.387 -220.381 GPRESSURE: 3878000 195.548 -21.8355 68.0886 80.745 -62.9338 123.905 76.4621 206.094 -147.53 PRESSAVG: 3878000 -21.2765 -8.68685 18.8198 -8.68688 -18.7841 -15.7174 18.8198 -15.7173 41.4593 GPRESSAVG: 3878000 -22.7382 -7.58652 20.1111 -10.3709 -17.9876 -15.2819 15.0153 -16.0343 41.9261 TIMING: 3878000 CPU: 11531.9, 0.00295167/step Wall: 11531.9, 0.00295167/step, 0.919937 hours remaining, 208.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3878000 737.0442 2084.1053 1926.8268 101.9822 -206158.0797 17707.4371 0.0000 0.0000 34520.5877 -149080.0965 301.4769 -183600.6842 -148982.7544 300.1449 -38.0831 -4.9720 557943.4658 0.4662 0.4001 PRESSURE: 3878200 233.563 -17.3818 -34.3606 -17.3828 -194.427 -24.7126 -34.3591 -24.7126 166.437 GPRESSURE: 3878200 289.377 52.3867 -29.3728 -31.905 -134.124 8.56319 -52.7141 -17.0513 148.579 PRESSAVG: 3878200 -22.9323 15.7065 20.3733 15.7064 -1.75796 31.6222 20.3733 31.6224 36.8135 GPRESSAVG: 3878200 -23.4659 14.2659 19.4219 18.0709 -1.01194 32.3769 22.0126 31.9043 36.4747 TIMING: 3878200 CPU: 11532.5, 0.00293386/step Wall: 11532.5, 0.00293386/step, 0.914224 hours remaining, 208.019531 MB of memory in use. ENERGY: 3878200 754.0287 2095.1234 1928.3476 106.0577 -206458.3347 18029.8918 0.0000 0.0000 34273.8137 -149271.0719 299.3217 -183544.8855 -149177.6937 300.1235 68.5244 101.2773 558065.8487 4.0411 3.9990 PRESSURE: 3878400 -138.879 20.77 -134.764 20.7696 -217.174 -40.95 -134.765 -40.9517 -75.8845 GPRESSURE: 3878400 -70.1219 -30.573 -127.821 47.8342 -202.776 -62.9016 -119.956 -31.5895 -55.8634 PRESSAVG: 3878400 -1.69473 -9.19201 41.2673 -9.19213 -83.931 21.2397 41.2673 21.2398 69.1486 GPRESSAVG: 3878400 -3.61195 -9.77433 42.2821 -9.77902 -82.7787 20.4505 40.6391 21.1093 69.882 TIMING: 3878400 CPU: 11533.1, 0.00296605/step Wall: 11533.1, 0.00296605/step, 0.924088 hours remaining, 208.019531 MB of memory in use. ENERGY: 3878400 775.8146 2120.2673 1917.5305 103.4197 -206390.3033 17748.5163 0.0000 0.0000 34316.3505 -149408.4043 299.6932 -183724.7548 -149311.4614 298.8279 -143.9793 -109.5872 557610.1441 -5.4924 -5.5029 PRESSURE: 3878600 -64.2614 -206.746 -80.8837 -206.746 -8.39079 -15.9723 -80.8823 -15.9722 -180.205 GPRESSURE: 3878600 0.065157 -201.675 -162.135 -170.201 1.98725 -28.5233 10.6538 65.4645 -153.939 PRESSAVG: 3878600 1.05817 -59.9288 4.32119 -59.9288 21.292 -47.5638 4.32118 -47.5638 6.21039 GPRESSAVG: 3878600 3.63249 -60.3463 3.48496 -60.2326 18.9625 -48.4828 5.6701 -47.3659 5.70387 TIMING: 3878600 CPU: 11533.7, 0.00296784/step Wall: 11533.7, 0.00296784/step, 0.924482 hours remaining, 208.019531 MB of memory in use. ENERGY: 3878600 745.1763 2095.9784 1907.4339 109.9586 -206109.0688 17638.5595 0.0000 0.0000 34100.2854 -149511.6767 297.8063 -183611.9621 -149414.4665 298.8308 -84.2857 -50.6290 557725.7842 9.5202 9.4330 PRESSURE: 3878800 81.1357 -82.51 -22.9082 -82.5086 15.0137 -171.231 -22.9077 -171.229 69.6056 GPRESSURE: 3878800 145.994 -69.7311 -74.2009 -128.779 19.4685 -102.055 19.8282 -191.489 85.1136 PRESSAVG: 3878800 -37.9765 6.18338 22.1535 6.18335 53.4648 -12.2259 22.1535 -12.2258 27.0066 GPRESSAVG: 3878800 -38.8047 5.89601 20.5858 6.96349 53.6773 -9.67306 22.15 -12.3562 27.9332 TIMING: 3878800 CPU: 11534.3, 0.0029653/step Wall: 11534.3, 0.0029653/step, 0.923526 hours remaining, 208.019531 MB of memory in use. ENERGY: 3878800 799.0401 2053.7733 1911.1108 116.0578 -206856.3845 18166.3910 0.0000 0.0000 34376.7604 -149433.2512 300.2208 -183810.0115 -149336.6791 298.4699 55.2517 83.5255 557422.7500 14.1650 14.2686 PRESSURE: 3879000 209.395 -58.0708 114.34 -58.0706 -26.5297 -72.1157 114.341 -72.1165 39.3757 GPRESSURE: 3879000 259.299 -28.0873 133.177 -50.8366 -14.7086 25.7004 113.529 -143.641 70.1752 PRESSAVG: 3879000 -11.5204 14.4442 25.631 14.4443 -47.5464 -39.711 25.631 -39.711 19.2462 GPRESSAVG: 3879000 -10.4308 13.1697 25.6433 14.5243 -47.2064 -40.474 24.0522 -41.4309 18.0168 TIMING: 3879000 CPU: 11534.9, 0.00294728/step Wall: 11534.9, 0.00294728/step, 0.917751 hours remaining, 208.019531 MB of memory in use. ENERGY: 3879000 720.8704 2074.1147 1942.0358 105.4492 -206411.2927 17997.8470 0.0000 0.0000 34318.3262 -149252.6493 299.7105 -183570.9756 -149153.1692 299.7615 74.0804 104.9219 558502.8934 -13.2735 -13.2068 PRESSURE: 3879200 258.842 161.924 -226.458 161.923 16.8587 45.6319 -226.457 45.6335 209.422 GPRESSURE: 3879200 295.522 89.5637 -280.914 123.93 75.0413 116.097 -211.839 -49.2449 221.033 PRESSAVG: 3879200 -10.1058 -3.81834 -10.0406 -3.81845 -44.2425 -29.2344 -10.0406 -29.2343 42.2486 GPRESSAVG: 3879200 -10.3642 -3.07764 -9.12504 -3.81407 -44.1002 -29.9869 -9.85796 -26.743 42.5279 TIMING: 3879200 CPU: 11535.5, 0.00295244/step Wall: 11535.5, 0.00295244/step, 0.919194 hours remaining, 208.019531 MB of memory in use. ENERGY: 3879200 745.6446 2093.9060 1941.6458 106.5801 -206769.5108 18032.8797 0.0000 0.0000 34305.5823 -149543.2722 299.5992 -183848.8546 -149442.5004 298.9307 161.7074 197.1990 556762.9485 -4.0332 -3.9788 PRESSURE: 3879400 -110.847 50.8593 -96.852 50.8605 -97.128 76.9756 -96.8529 76.9746 -49.9327 GPRESSURE: 3879400 -82.5341 96.8536 -169.3 -49.4545 -115.719 31.362 -107.283 162.35 39.3282 PRESSAVG: 3879400 -87.0269 -23.2447 -13.2275 -23.2446 37.7722 64.0733 -13.2276 64.0734 42.8388 GPRESSAVG: 3879400 -87.0945 -22.7269 -13.4749 -24.4307 38.0105 64.0106 -13.2786 63.9385 42.6708 TIMING: 3879400 CPU: 11536.1, 0.00293491/step Wall: 11536.1, 0.00293492/step, 0.913574 hours remaining, 208.019531 MB of memory in use. ENERGY: 3879400 750.6329 2152.6085 1924.1862 116.4816 -206503.2160 17841.7827 0.0000 0.0000 34139.8420 -149577.6822 298.1517 -183717.5241 -149484.9259 298.8110 -85.9692 -52.9749 557459.5507 -2.1386 -2.1377 PRESSURE: 3879600 236.026 17.9138 -67.5308 17.9144 181.613 170.972 -67.5307 170.973 157.161 GPRESSURE: 3879600 233.501 42.2604 -109.359 5.91245 207.238 131.366 -25.8287 252.063 226.614 PRESSAVG: 3879600 -13.0728 -47.3242 -29.5966 -47.3244 -11.525 56.201 -29.5967 56.201 14.7402 GPRESSAVG: 3879600 -13.1711 -47.1703 -29.7001 -48.9454 -11.447 56.2202 -29.0965 54.6652 14.7762 TIMING: 3879600 CPU: 11536.7, 0.00291999/step Wall: 11536.7, 0.00291999/step, 0.908766 hours remaining, 208.019531 MB of memory in use. ENERGY: 3879600 756.1110 2102.8117 1894.7967 108.8350 -206553.3864 18122.5218 0.0000 0.0000 34013.2154 -149555.0948 297.0459 -183568.3102 -149460.0842 298.5228 191.6000 222.4509 557436.7505 -3.2859 -3.2807 PRESSURE: 3879800 -264.925 116.572 66.4728 116.573 -157.908 -67.4174 66.4737 -67.417 -190.403 GPRESSURE: 3879800 -249.221 88.7467 87.4472 123.587 -128.006 -113.774 49.8016 10.8077 -150.03 PRESSAVG: 3879800 -3.28334 -15.1481 -28.4431 -15.1481 -50.4461 35.6778 -28.4432 35.6778 36.9206 GPRESSAVG: 3879800 -3.68049 -16.4535 -27.8508 -12.123 -50.6526 36.4082 -28.6889 36.9627 37.2379 TIMING: 3879800 CPU: 11537.2, 0.00292426/step Wall: 11537.2, 0.00292426/step, 0.909933 hours remaining, 208.019531 MB of memory in use. ENERGY: 3879800 740.7383 2056.2672 1906.1130 109.5467 -206035.1247 17541.0364 0.0000 0.0000 34053.6247 -149627.7984 297.3988 -183681.4232 -149530.3582 298.0528 -204.4119 -175.7523 557228.2727 -5.6029 -5.6984 PRESSURE: 3880000 -212.68 -14.6613 10.354 -14.6609 -85.7335 105.515 10.3548 105.516 63.884 GPRESSURE: 3880000 -242.083 6.11621 -21.0709 -60.763 5.71453 119.231 22.3268 46.6678 97.4266 PRESSAVG: 3880000 33.4434 -8.96631 -6.28179 -8.96624 1.68814 -19.3389 -6.28182 -19.3388 20.845 GPRESSAVG: 3880000 32.3851 -7.62019 -6.10019 -11.0669 2.40294 -19.4344 -5.71632 -19.2844 20.7643 TIMING: 3880000 CPU: 11537.8, 0.00292832/step Wall: 11537.8, 0.00292832/step, 0.911032 hours remaining, 208.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3880000 744.9571 2133.1348 1938.8897 107.0344 -206297.4208 17660.6055 0.0000 0.0000 34206.6561 -149506.1431 298.7352 -183712.7993 -149414.9020 299.3721 -78.1764 -46.3140 558612.4111 18.6588 18.5174 PRESSURE: 3880200 -88.3161 -19.4034 64.0519 -19.4046 -82.2931 -165.359 64.0515 -165.359 303.761 GPRESSURE: 3880200 -15.8454 -43.5765 -9.35939 44.7168 -96.3176 -187.642 110.192 -139.954 338.335 PRESSAVG: 3880200 -54.206 -10.6731 14.7802 -10.673 -39.7814 23.1507 14.7802 23.1507 28.4231 GPRESSAVG: 3880200 -52.6662 -12.0584 14.4741 -7.50454 -40.3246 23.4293 14.0659 23.1937 27.675 TIMING: 3880200 CPU: 11538.4, 0.00293629/step Wall: 11538.4, 0.00293629/step, 0.913351 hours remaining, 208.019531 MB of memory in use. ENERGY: 3880200 711.4071 2034.5589 1932.3166 120.4885 -206240.5126 17741.7450 0.0000 0.0000 34066.2928 -149633.7036 297.5094 -183699.9965 -149541.4419 298.2721 44.3839 75.3908 556024.5245 -21.8548 -21.7719 LDB: ============= START OF LOAD BALANCING ============== 11542 LDB: ============== END OF LOAD BALANCING =============== 11542 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11542 LDB: ============= START OF LOAD BALANCING ============== 11542.2 LDB: Largest compute 4772 load 0.021189 is 17.9% of average load 0.118272 LDB: Average compute 0.001739 is 1.5% of average load 0.118272 LDB: TIME 11542.2 LOAD: AVG 0.118272 MAX 0.194938 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.473 MB LDB: TIME 11542.2 LOAD: AVG 0.118272 MAX 0.194938 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.473 MB LDB: TIME 11542.2 LOAD: AVG 0.118272 MAX 0.194938 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.473 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11542.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11542.3 PRESSURE: 3880400 142.154 -59.9018 33.0638 -59.9012 -266.207 13.815 33.0649 13.8177 -202.597 GPRESSURE: 3880400 147.878 -70.084 117.321 -66.8991 -239.131 66.6706 33.4335 12.7796 -139.946 PRESSAVG: 3880400 11.1325 22.3412 24.6621 22.3412 29.8587 6.59824 24.6621 6.5982 -17.3339 GPRESSAVG: 3880400 10.8511 24.509 28.3063 19.1569 29.9952 5.13509 23.3143 6.14981 -17.5061 TIMING: 3880400 CPU: 11539, 0.0029678/step Wall: 11539, 0.0029678/step, 0.922986 hours remaining, 208.726562 MB of memory in use. ENERGY: 3880400 715.9566 2137.6428 1864.3791 113.8020 -206409.4298 17693.9814 0.0000 0.0000 34341.0583 -149542.6096 299.9090 -183883.6679 -149446.3079 298.0617 -108.8832 -77.0661 557031.7394 7.8857 7.7801 PRESSURE: 3880600 -124.403 -37.3595 24.3409 -37.3613 -3.31932 85.0715 24.3406 85.0723 33.9564 GPRESSURE: 3880600 -89.9085 34.0224 20.6058 -89.576 36.0563 141.754 47.2173 -57.6489 75.8462 PRESSAVG: 3880600 5.50565 -27.7502 -7.25471 -27.7502 12.8465 23.6249 -7.25467 23.625 -0.804099 GPRESSAVG: 3880600 6.29045 -29.4793 -10.0338 -26.486 11.4475 23.2962 -6.96337 24.6475 -0.654332 TIMING: 3880600 CPU: 11539.6, 0.00293431/step Wall: 11539.6, 0.00293431/step, 0.912406 hours remaining, 208.929688 MB of memory in use. ENERGY: 3880600 709.9599 2095.2129 1906.7757 124.6535 -206122.3152 17681.2099 0.0000 0.0000 34192.2405 -149412.2628 298.6093 -183604.5033 -149307.5758 298.8508 -31.2552 7.3313 556666.3320 5.8494 5.6945 PRESSURE: 3880800 -166.115 15.4602 23.2421 15.4598 53.2831 -20.3068 23.2416 -20.3077 -156.965 GPRESSURE: 3880800 -99.373 -8.81039 77.9675 -46.1581 75.1536 -90.5464 -51.7913 30.9754 -153.252 PRESSAVG: 3880800 1.14924 -2.95462 -22.9511 -2.95481 29.274 43.4951 -22.9511 43.4951 -0.897767 GPRESSAVG: 3880800 1.17414 -3.93757 -22.5856 -3.79695 30.1429 45.4677 -22.6581 42.4577 -1.38262 TIMING: 3880800 CPU: 11540.2, 0.00292065/step Wall: 11540.2, 0.00292065/step, 0.907997 hours remaining, 208.929688 MB of memory in use. ENERGY: 3880800 740.8883 2123.3543 1925.2571 105.6844 -206405.9652 17798.4313 0.0000 0.0000 34191.7729 -149520.5767 298.6053 -183712.3497 -149425.0725 298.3605 -89.9322 -59.1571 556261.2075 9.8418 9.9781 PRESSURE: 3881000 -343.435 -24.8838 25.9075 -24.884 -98.6391 3.96665 25.9072 3.96484 -246.868 GPRESSURE: 3881000 -288.364 76.1518 6.25299 -56.461 -88.1949 -133.967 32.2539 81.0731 -207.561 PRESSAVG: 3881000 52.8573 15.9352 13.1304 15.9352 -0.772609 13.9593 13.1304 13.9593 -25.1007 GPRESSAVG: 3881000 52.6298 15.6801 11.9851 17.6345 -0.466833 12.2513 14.0736 14.8393 -24.4974 TIMING: 3881000 CPU: 11540.8, 0.00289531/step Wall: 11540.8, 0.00289531/step, 0.89996 hours remaining, 208.929688 MB of memory in use. ENERGY: 3881000 750.3730 2106.2723 1923.6509 111.7504 -206149.2597 17552.0498 0.0000 0.0000 34275.5919 -149429.5715 299.3373 -183705.1634 -149339.0049 298.9803 -229.6472 -194.7066 557681.0280 8.9946 9.2219 PRESSURE: 3881200 -85.2784 -4.65157 -109.757 -4.65276 -164.734 -74.6614 -109.756 -74.661 -1.91498 GPRESSURE: 3881200 -42.3216 37.3662 -183.206 -17.5275 -195.099 -48.8008 32.3903 -50.4262 85.1328 PRESSAVG: 3881200 5.77687 -31.7552 -47.9404 -31.7553 -13.034 18.9061 -47.9404 18.9061 15.8419 GPRESSAVG: 3881200 4.95218 -32.1126 -46.6291 -32.2603 -12.8981 19.2256 -48.6298 18.7348 16.3035 TIMING: 3881200 CPU: 11541.3, 0.00289371/step Wall: 11541.3, 0.00289371/step, 0.899301 hours remaining, 208.929688 MB of memory in use. ENERGY: 3881200 763.5828 2076.0185 1903.3405 110.6817 -205921.6561 17541.0364 0.0000 0.0000 34133.9894 -149393.0068 298.1006 -183526.9962 -149297.4792 298.5375 -83.9758 -50.7625 557384.7838 2.8616 2.7858 PRESSURE: 3881400 -18.8841 104.27 23.348 104.27 88.8137 8.89998 23.3488 8.89829 294.117 GPRESSURE: 3881400 48.957 86.182 28.811 127.377 121.434 -35.927 17.766 19.1849 303.057 PRESSAVG: 3881400 11.306 3.13899 18.4246 3.13897 -53.23 0.729464 18.4247 0.729291 -5.24396 GPRESSAVG: 3881400 11.969 3.97198 16.3745 3.02282 -53.0115 2.96486 18.59 0.791163 -6.05059 TIMING: 3881400 CPU: 11541.9, 0.00293043/step Wall: 11541.9, 0.00293043/step, 0.910551 hours remaining, 208.929688 MB of memory in use. ENERGY: 3881400 720.9783 2085.2254 1902.5272 121.8092 -206396.5681 18006.4240 0.0000 0.0000 34336.6028 -149223.0011 299.8701 -183559.6039 -149132.3281 299.1480 121.3488 157.8158 557720.0656 -15.7227 -15.6977 PRESSURE: 3881600 315.929 -7.49387 -35.8688 -7.49415 67.8005 -1.06335 -35.8696 -1.06448 -171.573 GPRESSURE: 3881600 324.631 -58.0556 -134.465 -1.88337 108.434 -74.4239 28.5732 80.4558 -134.975 PRESSAVG: 3881600 45.7485 -5.18372 24.5012 -5.18361 -76.7392 26.6257 24.5012 26.6257 -0.888712 GPRESSAVG: 3881600 45.6891 -4.11537 23.864 -5.10788 -76.7546 27.3531 24.6252 27.4385 -0.264473 TIMING: 3881600 CPU: 11542.5, 0.00294077/step Wall: 11542.5, 0.00294077/step, 0.913601 hours remaining, 208.929688 MB of memory in use. ENERGY: 3881600 718.0390 2030.0869 1935.8105 114.7693 -206370.9930 18031.6226 0.0000 0.0000 34428.2525 -149112.4122 300.6705 -183540.6647 -149009.6638 299.8109 70.7186 99.3633 558553.2665 -10.6265 -10.4433 PRESSURE: 3881800 41.8958 90.3862 72.3293 90.3855 -89.8952 -70.5944 72.3294 -70.595 -40.3033 GPRESSURE: 3881800 126.231 125.021 48.2243 63.6722 -82.0434 -76.8505 37.3699 -55.7103 -52.8193 PRESSAVG: 3881800 44.9038 4.10214 -41.1206 4.10216 -19.5236 64.5514 -41.1208 64.5515 -52.5616 GPRESSAVG: 3881800 45.2192 4.03158 -39.0506 4.1877 -19.7424 61.3845 -41.1345 64.0811 -53.3832 TIMING: 3881800 CPU: 11543.1, 0.00294785/step Wall: 11543.1, 0.00294785/step, 0.915635 hours remaining, 208.929688 MB of memory in use. ENERGY: 3881800 745.5628 2094.6507 1944.6253 120.6094 -205992.6189 17714.4878 0.0000 0.0000 34352.4195 -149020.2635 300.0082 -183372.6829 -148924.9474 300.2041 -29.4342 -2.8772 556947.4895 -9.0604 -9.3022 PRESSURE: 3882000 -155.517 18.9653 45.1611 18.9645 -146.431 79.8547 45.1605 79.8557 39.1174 GPRESSURE: 3882000 -164.963 -22.9506 74.84 9.14243 -87.1467 29.0732 -5.60276 110.468 78.953 PRESSAVG: 3882000 -15.8858 -0.752959 40.9695 -0.752948 42.1346 -4.22812 40.9694 -4.22811 -20.3455 GPRESSAVG: 3882000 -16.4465 -2.70752 40.1209 -0.547247 42.6807 -5.39353 39.8281 -4.87595 -20.5434 TIMING: 3882000 CPU: 11543.7, 0.00292192/step Wall: 11543.7, 0.00292192/step, 0.907418 hours remaining, 208.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3882000 769.2446 2130.7372 1916.5491 116.5256 -206105.2156 17730.6035 0.0000 0.0000 34345.8831 -149095.6726 299.9511 -183441.5557 -148997.9348 299.9300 -87.6100 -57.7188 558322.0181 1.9678 1.8969 PRESSURE: 3882200 -91.307 -226.039 -99.4082 -226.039 -98.0979 -24.534 -99.4083 -24.536 -58.7602 GPRESSURE: 3882200 -115.192 -140.11 -55.6261 -238.93 -49.9873 -63.9322 -174.622 10.5293 40.2811 PRESSAVG: 3882200 2.26351 9.49951 51.2244 9.4995 41.8006 59.6513 51.2243 59.6512 -1.01046 GPRESSAVG: 3882200 1.91427 10.6232 52.2335 8.97356 41.8711 61.4108 53.5122 60.3983 -0.621963 TIMING: 3882200 CPU: 11544.3, 0.00291979/step Wall: 11544.3, 0.00291979/step, 0.906594 hours remaining, 208.929688 MB of memory in use. ENERGY: 3882200 749.9422 2096.8620 1924.6708 110.7859 -205979.7357 17721.0103 0.0000 0.0000 34178.2573 -149198.2072 298.4872 -183376.4645 -149102.0376 300.0022 -82.7217 -41.6329 558134.7336 14.3512 14.3878 PRESSURE: 3882400 -103.647 1.77089 -29.2133 1.772 251.466 -121.404 -29.2127 -121.405 -230.452 GPRESSURE: 3882400 -42.2361 17.4605 17.3185 -23.1562 245.968 -102.687 -102.331 -141.688 -181.549 PRESSAVG: 3882400 6.90695 2.35289 2.2585 2.35286 -17.8637 -1.78963 2.25858 -1.78966 13.9879 GPRESSAVG: 3882400 6.76303 2.35958 1.68478 2.24424 -19.3967 -2.54426 1.29043 -1.77313 15.1496 TIMING: 3882400 CPU: 11544.8, 0.00292457/step Wall: 11544.8, 0.00292457/step, 0.907916 hours remaining, 208.929688 MB of memory in use. ENERGY: 3882400 748.3778 2117.5498 1929.8173 109.0746 -206207.8126 17707.8661 0.0000 0.0000 34406.0579 -149189.0691 300.4767 -183595.1270 -149094.3363 299.6987 -27.5444 7.3944 558332.3063 1.0104 0.8386 PRESSURE: 3882600 12.5977 -98.1253 -131.114 -98.1244 157.71 30.2827 -131.115 30.2828 -146.71 GPRESSURE: 3882600 8.07011 -128.888 -125.617 -127.997 200.429 18.0514 -75.6851 39.7284 -86.2902 PRESSAVG: 3882600 -12.8197 -82.0975 -19.4916 -82.0976 19.5675 -23.7921 -19.4916 -23.7921 -16.7084 GPRESSAVG: 3882600 -12.2687 -82.5441 -19.3965 -82.6235 19.8782 -23.5043 -16.3022 -22.3655 -17.5605 TIMING: 3882600 CPU: 11545.4, 0.00293934/step Wall: 11545.4, 0.00293934/step, 0.912338 hours remaining, 208.929688 MB of memory in use. ENERGY: 3882600 757.5922 2083.4502 1954.2603 111.0960 -206402.5060 17878.8989 0.0000 0.0000 34338.0963 -149279.1122 299.8831 -183617.2085 -149180.5552 299.5301 7.8659 40.7363 556354.7538 -3.3202 -3.3170 PRESSURE: 3882800 223.962 -61.6709 83.3206 -61.6709 128.046 -118.764 83.3211 -118.764 448.249 GPRESSURE: 3882800 252.117 -33.3146 125.564 -193.919 136.964 -111.232 78.8163 -90.4994 500.581 PRESSAVG: 3882800 45.6994 -39.5428 12.8742 -39.5429 43.3547 39.0337 12.8742 39.0338 -53.315 GPRESSAVG: 3882800 46.1905 -38.5786 13.7567 -40.0733 42.8728 37.8465 12.6242 39.0328 -53.2512 TIMING: 3882800 CPU: 11546, 0.00292903/step Wall: 11546, 0.00292903/step, 0.908976 hours remaining, 208.929688 MB of memory in use. ENERGY: 3882800 739.2268 2136.0828 1907.1240 112.4789 -206753.9900 18106.5788 0.0000 0.0000 34326.5934 -149425.9054 299.7827 -183752.4988 -149330.4191 299.9687 266.7523 296.5542 556037.9076 11.9131 11.9373 PRESSURE: 3883000 72.7554 -153.053 67.6933 -153.052 -104.209 145.132 67.6944 145.133 135.345 GPRESSURE: 3883000 104.431 -88.3926 125.828 -190.426 -59.1308 89.7873 27.7737 155.728 144.095 PRESSAVG: 3883000 13.4822 -25.725 13.168 -25.725 13.8246 -0.964557 13.168 -0.964548 3.899 GPRESSAVG: 3883000 14.2238 -27.2776 11.6021 -23.7805 14.012 -0.091729 10.905 -0.232071 3.52463 TIMING: 3883000 CPU: 11546.6, 0.00293963/step Wall: 11546.6, 0.00293963/step, 0.912101 hours remaining, 208.929688 MB of memory in use. ENERGY: 3883000 698.9608 2091.9531 1942.7022 128.1380 -206257.9046 17832.0219 0.0000 0.0000 34144.0372 -149420.0914 298.1884 -183564.1286 -149321.4310 299.0473 34.6304 63.1317 557249.7891 10.4019 10.5868 PRESSURE: 3883200 16.1981 114.832 -84.0529 114.833 -188.752 -60.7056 -84.0522 -60.7055 -223.941 GPRESSURE: 3883200 35.9332 133.531 -141.027 105.203 -182.23 -98.3972 -26.5663 -66.291 -167.6 PRESSAVG: 3883200 -36.4892 71.8507 -10.1009 71.8507 0.995714 -13.1658 -10.101 -13.1658 -5.13643 GPRESSAVG: 3883200 -38.1162 72.9982 -8.11028 70.6341 1.90953 -12.1834 -9.72283 -15.9039 -4.21019 TIMING: 3883200 CPU: 11547.2, 0.00294277/step Wall: 11547.2, 0.00294277/step, 0.912913 hours remaining, 208.929688 MB of memory in use. ENERGY: 3883200 713.5043 2163.4560 1921.5313 117.8895 -206028.4685 17621.3461 0.0000 0.0000 34222.1797 -149268.5616 298.8708 -183490.7413 -149168.0038 298.9995 -132.1649 -104.6323 558502.2817 -13.5433 -13.4723 PRESSURE: 3883400 -142.935 143.456 -107.408 143.456 6.84983 76.6321 -107.408 76.6325 -112.154 GPRESSURE: 3883400 -116.25 133.707 -42.8171 106.953 8.20589 135.706 -45.843 33.5885 -51.6325 PRESSAVG: 3883400 -28.5657 -1.9908 -35.775 -1.99086 -22.5405 -2.82071 -35.7748 -2.82074 59.2023 GPRESSAVG: 3883400 -28.0968 -4.60904 -37.3825 -1.3229 -22.2621 -2.44566 -35.1596 -2.5007 59.1509 TIMING: 3883400 CPU: 11547.8, 0.00295226/step Wall: 11547.8, 0.00295226/step, 0.915694 hours remaining, 208.929688 MB of memory in use. ENERGY: 3883400 723.1353 2094.4653 1912.3558 107.7795 -206347.8743 17879.3056 0.0000 0.0000 34470.2732 -149160.5596 301.0375 -183630.8328 -149058.5050 299.0596 -82.7465 -53.2257 558842.2340 2.6987 2.9307 PRESSURE: 3883600 -101.599 -40.6281 88.7672 -40.6281 98.827 -75.1084 88.7678 -75.1091 -2.0173 GPRESSURE: 3883600 -103.402 50.3274 74.5031 -72.9297 129.732 29.8365 86.6458 -77.5776 54.7628 PRESSAVG: 3883600 -15.3667 -12.2387 37.3727 -12.2387 35.4838 -39.9924 37.3728 -39.9923 21.0943 GPRESSAVG: 3883600 -15.0034 -9.20317 40.4751 -12.3889 35.6425 -37.7367 35.2068 -39.7067 20.8711 TIMING: 3883600 CPU: 11548.4, 0.00296496/step Wall: 11548.4, 0.00296496/step, 0.919466 hours remaining, 208.929688 MB of memory in use. ENERGY: 3883600 744.9546 2157.6340 1907.1853 121.1059 -206116.9097 17663.7643 0.0000 0.0000 34261.0632 -149261.2025 299.2104 -183522.2657 -149169.6474 299.5695 -1.5966 27.0309 557151.0857 13.7371 13.8367 PRESSURE: 3883800 -0.327939 -78.31 -100.494 -78.3114 272.566 -22.7465 -100.495 -22.7462 153.796 GPRESSURE: 3883800 21.8637 -93.0584 -76.9086 -143.061 238.633 38.7238 -98.7137 -75.8113 249.298 PRESSAVG: 3883800 -15.9391 3.90275 66.263 3.90273 6.2681 -18.7961 66.263 -18.7962 12.1286 GPRESSAVG: 3883800 -15.9969 2.9265 63.422 4.08731 6.79578 -18.3883 68.3282 -20.5753 11.8194 TIMING: 3883800 CPU: 11549, 0.00294/step Wall: 11549, 0.00293999/step, 0.911562 hours remaining, 208.929688 MB of memory in use. ENERGY: 3883800 754.8526 2116.2441 1909.2274 107.7104 -206309.7420 17950.4925 0.0000 0.0000 34162.7427 -149308.4724 298.3517 -183471.2151 -149211.2455 298.9986 142.0114 169.9315 556263.5287 0.8192 0.8728 PRESSURE: 3884000 -284.818 100.871 115.553 100.871 -145.516 42.1227 115.552 42.1241 -71.0862 GPRESSURE: 3884000 -219.899 16.4753 45.683 47.8793 -166.509 107.415 84.8367 28.739 -2.07238 PRESSAVG: 3884000 -21.6315 17.8929 -25.8733 17.8929 -6.45837 19.1032 -25.8733 19.1032 52.5299 GPRESSAVG: 3884000 -20.0798 18.075 -26.7213 16.6489 -8.02613 16.4258 -26.7162 20.4071 52.8185 TIMING: 3884000 CPU: 11549.6, 0.00295784/step Wall: 11549.6, 0.00295784/step, 0.916929 hours remaining, 208.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3884000 766.1032 2120.6881 1897.4847 116.6069 -206067.7849 17595.5946 0.0000 0.0000 34141.6298 -149429.6775 298.1673 -183571.3073 -149336.2437 299.1972 -167.1399 -129.4935 555988.9478 8.1467 8.2375 PRESSURE: 3884200 86.9597 47.3644 72.767 47.3647 -121.608 16.0185 72.7662 16.0152 182.437 GPRESSURE: 3884200 88.2013 44.5553 62.799 48.2073 -18.8743 -3.57633 117.407 -37.787 196.78 PRESSAVG: 3884200 23.2906 21.7731 54.112 21.7731 -82.7339 40.4301 54.112 40.4302 63.4758 GPRESSAVG: 3884200 22.0073 21.6968 57.5212 22.0282 -80.8212 40.51 54.2867 41.9498 62.7462 TIMING: 3884200 CPU: 11550.2, 0.0029563/step Wall: 11550.2, 0.0029563/step, 0.916289 hours remaining, 208.929688 MB of memory in use. ENERGY: 3884200 809.1422 2112.3292 1899.6504 116.7402 -206365.1229 18009.6756 0.0000 0.0000 34017.5452 -149400.0401 297.0837 -183417.5853 -149305.6644 298.7240 49.2630 88.7023 555961.9629 1.3442 1.3108 LDB: ============= START OF LOAD BALANCING ============== 11553.7 LDB: ============== END OF LOAD BALANCING =============== 11553.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11553.7 LDB: ============= START OF LOAD BALANCING ============== 11554 LDB: Largest compute 4801 load 0.020756 is 17.5% of average load 0.118335 LDB: Average compute 0.001739 is 1.5% of average load 0.118335 LDB: TIME 11554 LOAD: AVG 0.118335 MAX 0.197877 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.016 MB LDB: TIME 11554 LOAD: AVG 0.118335 MAX 0.197877 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.215 MB LDB: TIME 11554 LOAD: AVG 0.118335 MAX 0.197877 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.215 MB LDB: ============== END OF LOAD BALANCING =============== 11554 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11554 PRESSURE: 3884400 -110.945 6.87229 98.59 6.8722 -83.5307 -86.0534 98.5893 -86.0553 -113.694 GPRESSURE: 3884400 -58.6768 -22.6328 85.9022 -34.5498 -68.5806 -107.063 77.4933 -151.879 -84.0593 PRESSAVG: 3884400 -13.7495 43.6242 88.8257 43.6242 -9.3296 -14.4366 88.8258 -14.4366 17.1689 GPRESSAVG: 3884400 -12.6188 43.0711 87.3115 43.8487 -10.4945 -13.6848 87.5956 -14.8371 17.0702 TIMING: 3884400 CPU: 11550.8, 0.00300346/step Wall: 11550.8, 0.00300346/step, 0.93074 hours remaining, 206.542969 MB of memory in use. ENERGY: 3884400 731.7246 2136.6087 1922.4247 109.8007 -205710.3134 17452.5093 0.0000 0.0000 34230.4571 -149126.7884 298.9431 -183357.2455 -149028.7798 298.8294 -102.7232 -70.4389 557747.3427 -1.9700 -2.0144 PRESSURE: 3884600 -66.3808 152.073 137.005 152.075 -37.4008 -39.0586 137.005 -39.0581 98.8022 GPRESSURE: 3884600 2.19514 128.07 178.848 153.039 -56.0428 26.4294 67.4368 -21.9804 156.487 PRESSAVG: 3884600 66.8306 -16.2332 51.5487 -16.2333 -10.1983 -83.6256 51.5488 -83.6257 -49.2399 GPRESSAVG: 3884600 66.0457 -15.2408 51.4186 -16.3811 -11.0098 -84.0798 51.6271 -83.6106 -48.6332 TIMING: 3884600 CPU: 11551.3, 0.00293774/step Wall: 11551.3, 0.00293774/step, 0.910209 hours remaining, 206.542969 MB of memory in use. ENERGY: 3884600 750.2677 2122.8923 1923.3016 106.1783 -205963.4511 17698.3047 0.0000 0.0000 34441.7722 -148920.7343 300.7886 -183362.5065 -148826.1373 300.2130 -1.6598 34.2132 556692.5763 2.4641 2.1343 PRESSURE: 3884800 -77.0517 -114.867 189.713 -114.867 -81.6005 9.53204 189.715 9.53123 -98.0414 GPRESSURE: 3884800 -71.2865 -242.029 200.029 -131.915 24.8763 131.517 158.21 -22.3496 -115.618 PRESSAVG: 3884800 12.9801 -36.6045 97.5854 -36.6045 46.3446 -39.5219 97.5854 -39.522 -50.5589 GPRESSAVG: 3884800 12.4923 -37.2362 98.814 -37.2305 46.5369 -40.9132 100.168 -37.067 -50.6782 TIMING: 3884800 CPU: 11551.9, 0.00293713/step Wall: 11551.9, 0.00293713/step, 0.909856 hours remaining, 206.542969 MB of memory in use. ENERGY: 3884800 756.4402 2063.9572 1930.5500 107.2330 -205748.9492 17588.2643 0.0000 0.0000 34191.4029 -149111.1016 298.6020 -183302.5045 -149021.1934 300.3722 -85.5645 -54.0095 556184.3719 2.9219 2.7836 PRESSURE: 3885000 -43.0942 -130.164 27.5966 -130.164 -55.6536 116.625 27.595 116.625 -327.096 GPRESSURE: 3885000 -12.0392 -181.135 9.89872 -135.616 29.0767 61.0263 62.1905 251.462 -349.022 PRESSAVG: 3885000 -32.1134 -13.4488 29.5369 -13.4488 35.3555 5.99145 29.5369 5.99149 8.3315 GPRESSAVG: 3885000 -32.5426 -13.4908 29.5011 -12.5251 36.3729 8.59486 27.7205 1.50074 8.27889 TIMING: 3885000 CPU: 11552.5, 0.00294564/step Wall: 11552.5, 0.00294564/step, 0.91233 hours remaining, 206.542969 MB of memory in use. ENERGY: 3885000 720.5228 2087.4255 1915.7601 116.1731 -205749.5343 17476.9948 0.0000 0.0000 34420.2839 -149012.3740 300.6009 -183432.6579 -148917.7308 299.9856 -141.9480 -110.6614 557204.8968 3.8579 4.0364 PRESSURE: 3885200 -4.82457 -141.732 -12.5485 -141.733 129.995 -80.4965 -12.5474 -80.497 -167.991 GPRESSURE: 3885200 27.6003 -137.677 -34.6177 -105.708 171.323 13.0529 36.4034 -93.2656 -147.149 PRESSAVG: 3885200 -10.2075 -54.2055 -1.2984 -54.2055 27.2707 -4.18999 -1.29839 -4.19005 1.46334 GPRESSAVG: 3885200 -11.2066 -54.2357 -1.68967 -53.7715 28.1369 -5.94264 -2.6333 -1.89982 1.98234 TIMING: 3885200 CPU: 11553.1, 0.00295545/step Wall: 11553.1, 0.00295545/step, 0.915204 hours remaining, 206.542969 MB of memory in use. ENERGY: 3885200 727.3515 2059.5104 1937.5409 115.7901 -205978.4389 17860.0743 0.0000 0.0000 34190.6431 -149087.5286 298.5954 -183278.1717 -148990.1105 299.7207 -14.2735 17.2580 557435.7424 6.1755 6.3042 PRESSURE: 3885400 309.314 -1.32767 -39.2837 -1.3285 107.906 -101.069 -39.2833 -101.068 -230.211 GPRESSURE: 3885400 307.728 18.3701 -119.984 19.6097 124.028 -57.2789 -18.8179 -190.379 -138.306 PRESSAVG: 3885400 19.9266 -73.2338 8.61844 -73.2338 43.2433 8.50021 8.6184 8.50023 -55.7296 GPRESSAVG: 3885400 19.1596 -72.823 7.87194 -74.1496 43.8214 9.42013 9.32227 8.24185 -55.6346 TIMING: 3885400 CPU: 11553.7, 0.00295188/step Wall: 11553.7, 0.00295188/step, 0.913935 hours remaining, 206.542969 MB of memory in use. ENERGY: 3885400 728.8482 2078.6232 1941.2714 114.9118 -206014.6316 17790.3142 0.0000 0.0000 34182.0531 -149178.6098 298.5204 -183360.6629 -149089.0069 299.7579 62.3365 97.8163 557168.1370 2.4801 2.4488 PRESSURE: 3885600 -202.196 4.4442 -42.9123 4.44476 -75.7143 -64.1595 -42.9119 -64.1604 -87.7229 GPRESSURE: 3885600 -214.573 -47.9196 -18.0481 -22.692 1.10868 -87.9242 -113.897 -60.9626 -49.7804 PRESSAVG: 3885600 42.2495 8.49697 -15.836 8.49697 -42.307 -30.3851 -15.836 -30.3851 30.4464 GPRESSAVG: 3885600 42.1715 7.78699 -14.764 8.23453 -42.6939 -29.6761 -15.0379 -31.7135 30.3441 TIMING: 3885600 CPU: 11554.3, 0.0029389/step Wall: 11554.3, 0.0029389/step, 0.909752 hours remaining, 206.542969 MB of memory in use. ENERGY: 3885600 746.5743 2101.0921 1919.1489 114.3629 -205927.7036 17535.3186 0.0000 0.0000 34256.6823 -149254.5246 299.1721 -183511.2069 -149154.9678 299.3280 -121.8778 -87.7483 557255.5276 10.1296 9.9406 PRESSURE: 3885800 -118.323 -200.042 -211.673 -200.041 33.8525 135.268 -211.674 135.27 103.794 GPRESSURE: 3885800 -89.6249 -180.658 -149.301 -218.981 60.1856 218.531 -265.957 81.435 162.858 PRESSAVG: 3885800 -32.8163 -27.3229 -1.54923 -27.3229 -47.9308 8.6762 -1.54923 8.67611 78.3009 GPRESSAVG: 3885800 -32.4646 -27.1729 -2.23068 -29.5494 -47.534 9.43539 -1.85722 9.93841 77.9875 TIMING: 3885800 CPU: 11554.9, 0.00292709/step Wall: 11554.9, 0.00292709/step, 0.905934 hours remaining, 206.542969 MB of memory in use. ENERGY: 3885800 790.1551 2159.3987 1938.6411 111.2131 -206300.4816 17779.8812 0.0000 0.0000 34192.0661 -149329.1263 298.6078 -183521.1924 -149239.6729 298.8453 6.4412 44.4728 555710.3525 -0.8154 -0.6704 PRESSURE: 3886000 198.3 -21.5699 64.455 -21.5711 164.836 -73.7141 64.4535 -73.7124 41.2801 GPRESSURE: 3886000 243.287 2.23492 -7.72443 -6.141 150.448 -114.114 62.6717 -89.6562 113.571 PRESSAVG: 3886000 -14.8649 -28.555 -38.6259 -28.555 -10.7929 -23.7035 -38.626 -23.7035 44.9994 GPRESSAVG: 3886000 -13.3093 -27.0652 -38.4233 -27.7495 -11.3181 -24.9071 -40.0932 -24.9864 44.7202 TIMING: 3886000 CPU: 11555.5, 0.0029271/step Wall: 11555.5, 0.0029271/step, 0.905775 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3886000 732.1899 2168.9103 1935.6627 118.0686 -206543.6993 17920.4679 0.0000 0.0000 34224.9485 -149443.4515 298.8950 -183668.3999 -149345.6574 299.3042 134.8052 169.1019 556271.5866 6.4472 6.6976 PRESSURE: 3886200 -222.844 -50.7053 118.716 -50.7054 -26.5448 -41.0008 118.715 -41.0016 -16.1853 GPRESSURE: 3886200 -164.575 -120.959 0.387654 -77.658 43.7425 0.248545 159.979 -72.8788 -34.5265 PRESSAVG: 3886200 -24.2811 -44.4294 14.4224 -44.4295 -13.2331 -9.40194 14.4225 -9.40192 8.08647 GPRESSAVG: 3886200 -24.9983 -44.8095 13.1876 -43.3406 -13.6323 -9.49469 17.2564 -7.48305 8.69881 TIMING: 3886200 CPU: 11556, 0.002922/step Wall: 11556, 0.002922/step, 0.904034 hours remaining, 206.542969 MB of memory in use. ENERGY: 3886200 754.5162 2106.5147 1888.1437 101.1912 -206125.4768 17726.6827 0.0000 0.0000 34141.7495 -149406.6788 298.1684 -183548.4282 -149312.1982 298.7277 -88.5248 -51.7863 557579.1620 -9.8092 -9.9773 PRESSURE: 3886400 -218.949 -27.1547 165.4 -27.1542 -246.521 32.2715 165.4 32.2724 -169.768 GPRESSURE: 3886400 -144.007 -22.8394 169.447 -104.046 -245.974 11.8147 166.483 81.0646 -138.935 PRESSAVG: 3886400 -22.2561 -74.3735 18.8096 -74.3736 16.7729 -26.2628 18.8096 -26.2627 68.5291 GPRESSAVG: 3886400 -22.5952 -74.6414 19.8494 -75.0847 17.0774 -26.874 16.3184 -27.3121 69.378 TIMING: 3886400 CPU: 11556.6, 0.00293356/step Wall: 11556.6, 0.00293356/step, 0.907449 hours remaining, 206.542969 MB of memory in use. ENERGY: 3886400 746.5197 2041.1078 1927.5384 113.9328 -205952.1843 17570.7255 0.0000 0.0000 34224.6994 -149327.6605 298.8928 -183552.3599 -149234.6040 299.5224 -211.7459 -176.3052 558551.8431 21.0153 21.2867 PRESSURE: 3886600 326.525 143.228 -62.3211 143.23 215.756 69.0074 -62.322 69.0082 -64.2337 GPRESSURE: 3886600 371.146 37.1503 -98.4084 229.818 211.159 -44.6272 15.8152 63.6373 -10.6261 PRESSAVG: 3886600 21.4896 -20.4613 14.48 -20.4614 -86.7533 30.7471 14.48 30.7472 69.9886 GPRESSAVG: 3886600 21.6955 -21.342 14.6402 -19.4117 -85.8916 30.6426 15.3538 32.1511 68.709 TIMING: 3886600 CPU: 11557.2, 0.00291173/step Wall: 11557.2, 0.00291173/step, 0.900532 hours remaining, 206.542969 MB of memory in use. ENERGY: 3886600 702.0739 2104.2931 1921.3292 104.7022 -206746.6303 18185.7374 0.0000 0.0000 34424.1209 -149304.3736 300.6344 -183728.4945 -149203.8558 299.9605 159.3493 190.5599 556732.8625 1.5749 1.5043 PRESSURE: 3886800 -121.875 -138.941 -81.3384 -138.942 -186.612 70.5969 -81.3392 70.5979 -22.6701 GPRESSURE: 3886800 -178.816 -86.4921 -41.7513 -60.8163 -79.3808 117.327 -68.5811 56.1733 14.165 PRESSAVG: 3886800 50.2276 1.82681 -37.2416 1.82676 -14.6329 -16.2015 -37.2416 -16.2015 -22.2074 GPRESSAVG: 3886800 49.7355 1.6935 -37.1476 2.52098 -14.4863 -16.2501 -34.8355 -16.077 -22.2862 TIMING: 3886800 CPU: 11557.8, 0.00291223/step Wall: 11557.8, 0.00291223/step, 0.900527 hours remaining, 206.542969 MB of memory in use. ENERGY: 3886800 763.9344 2098.5513 1909.7171 101.3443 -206077.1771 17683.8806 0.0000 0.0000 34059.9182 -149459.8312 297.4537 -183519.7493 -149365.1097 299.5477 -110.3856 -81.3440 557572.1344 4.4625 4.3210 PRESSURE: 3887000 -140.559 68.917 76.2839 68.9163 -117.72 148.324 76.2833 148.324 -142.954 GPRESSURE: 3887000 -83.5589 63.0193 60.7116 16.7214 -173.271 153.349 36.2599 144.403 -67.612 PRESSAVG: 3887000 -6.73962 -45.0765 1.69772 -45.0765 43.4428 -5.24281 1.69776 -5.24277 -13.1877 GPRESSAVG: 3887000 -6.18811 -43.2132 1.57398 -45.6703 42.225 -5.67421 -2.20984 -7.6545 -12.4339 TIMING: 3887000 CPU: 11558.4, 0.00292716/step Wall: 11558.4, 0.00292716/step, 0.90498 hours remaining, 206.542969 MB of memory in use. ENERGY: 3887000 820.9084 2127.3080 1934.5255 106.9707 -206490.1850 17865.4676 0.0000 0.0000 34242.9562 -149392.0487 299.0523 -183635.0049 -149292.7848 298.1289 -133.7441 -108.1474 559513.2763 7.8385 7.8677 PRESSURE: 3887200 109.865 -34.0203 128.776 -34.0206 18.4321 -184.877 128.777 -184.877 4.59003 GPRESSURE: 3887200 108.905 -71.502 101.567 54.0905 16.3913 -169.156 114.473 -161.565 106.558 PRESSAVG: 3887200 -1.74162 -26.7513 -47.7024 -26.7514 -52.1195 11.7853 -47.7024 11.7854 6.13343 GPRESSAVG: 3887200 -2.0269 -27.4481 -49.2211 -26.4797 -51.7711 13.7955 -44.5091 12.9279 6.20426 TIMING: 3887200 CPU: 11559, 0.00294086/step Wall: 11559, 0.00294087/step, 0.909054 hours remaining, 206.542969 MB of memory in use. ENERGY: 3887200 774.1711 2057.2129 1924.2400 109.1711 -206538.8577 17865.1748 0.0000 0.0000 34297.2443 -149511.6437 299.5264 -183808.8879 -149421.0792 298.7944 44.2956 77.2847 555593.0443 -15.9092 -15.8646 PRESSURE: 3887400 -55.1029 43.1813 78.8041 43.1802 -38.2193 65.3177 78.8036 65.3186 -253.968 GPRESSURE: 3887400 8.97491 57.4899 41.3896 65.1928 -8.34421 135.664 39.9529 69.4096 -236.118 PRESSAVG: 3887400 6.0455 -29.1849 12.5951 -29.185 -22.8312 9.23817 12.5952 9.23808 -1.94033 GPRESSAVG: 3887400 6.5335 -27.8209 14.0198 -31.2257 -23.1204 8.69943 11.5047 9.86193 -2.07132 TIMING: 3887400 CPU: 11559.5, 0.00291613/step Wall: 11559.5, 0.00291613/step, 0.901245 hours remaining, 206.542969 MB of memory in use. ENERGY: 3887400 768.8673 2125.0147 1910.9690 110.3317 -206288.6393 17654.7597 0.0000 0.0000 34437.7793 -149280.9176 300.7537 -183718.6970 -149175.5966 299.1025 -115.7635 -78.4957 557588.6578 -6.2420 -6.2194 PRESSURE: 3887600 -200.721 -31.6827 -62.1021 -31.6825 -218.835 -41.2264 -62.1032 -41.2254 -273.835 GPRESSURE: 3887600 -211.053 -81.1256 -66.526 41.389 -215.447 35.9598 -27.4543 -73.6256 -177.323 PRESSAVG: 3887600 -33.5341 -12.7277 24.8526 -12.7277 -4.47877 12.6739 24.8525 12.674 55.5955 GPRESSAVG: 3887600 -34.5361 -14.8664 24.9857 -10.4902 -3.89732 13.1921 26.1739 11.5212 55.8718 TIMING: 3887600 CPU: 11560.1, 0.00291309/step Wall: 11560.1, 0.00291309/step, 0.900144 hours remaining, 206.542969 MB of memory in use. ENERGY: 3887600 767.8954 2100.5515 1930.9156 106.7900 -206065.0428 17515.5787 0.0000 0.0000 34175.8298 -149467.4819 298.4660 -183643.3116 -149374.3786 299.3864 -231.1301 -201.2740 558625.9605 5.8609 5.8128 PRESSURE: 3887800 -158.684 -161.415 -111.813 -161.415 10.9662 72.3025 -111.813 72.3037 -45.4421 GPRESSURE: 3887800 -107.379 -213.073 -135.574 -61.2162 18.1929 -44.4522 -33.2466 36.2921 3.37822 PRESSAVG: 3887800 -1.59921 34.1316 29.0311 34.1316 -36.1611 19.4716 29.0311 19.4716 22.5948 GPRESSAVG: 3887800 -0.620609 35.3121 29.8919 34.1621 -37.2443 18.0943 27.934 20.1768 23.2907 TIMING: 3887800 CPU: 11560.7, 0.00292856/step Wall: 11560.7, 0.00292856/step, 0.904763 hours remaining, 206.542969 MB of memory in use. ENERGY: 3887800 726.8244 2072.8512 1905.3528 95.9705 -206113.1264 17746.1220 0.0000 0.0000 34077.2385 -149488.7671 297.6050 -183566.0056 -149392.2773 298.7344 -64.3867 -28.6027 557918.2229 -5.0552 -4.8580 PRESSURE: 3888000 41.5859 -11.7411 -1.22727 -11.7428 -18.7012 122.451 -1.22732 122.453 -253.838 GPRESSURE: 3888000 88.7361 9.41186 -57.7125 17.3388 -49.0945 80.3224 -43.147 134.271 -179.722 PRESSAVG: 3888000 -31.4336 -13.7481 14.376 -13.7481 53.6245 4.02394 14.376 4.02396 -4.73168 GPRESSAVG: 3888000 -30.3476 -12.7626 12.8831 -14.5073 54.0735 4.57936 14.8778 4.67303 -6.0317 TIMING: 3888000 CPU: 11561.3, 0.00295073/step Wall: 11561.3, 0.00295073/step, 0.911449 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3888000 748.3695 2138.2236 1911.7650 113.6114 -206045.5529 17687.8550 0.0000 0.0000 34119.6202 -149326.1082 297.9751 -183445.7284 -149229.2263 298.8257 -76.9843 -46.6933 557788.2506 5.8197 5.8981 PRESSURE: 3888200 253.048 -103.325 208.937 -103.325 123.803 148.225 208.936 148.224 384.36 GPRESSURE: 3888200 239.172 -132.882 290.727 -61.69 139.368 116.588 182.861 110.699 476.116 PRESSAVG: 3888200 -78.7654 -27.8509 33.4545 -27.8509 37.2681 63.9015 33.4545 63.9016 2.98159 GPRESSAVG: 3888200 -79.1654 -29.7566 34.2457 -25.9583 38.3558 65.7837 32.6195 62.6027 2.00861 TIMING: 3888200 CPU: 11561.9, 0.00296575/step Wall: 11561.9, 0.00296575/step, 0.915923 hours remaining, 206.542969 MB of memory in use. ENERGY: 3888200 737.3078 2124.6146 1927.2384 110.1371 -206532.5607 18205.7190 0.0000 0.0000 34381.3996 -149046.1442 300.2613 -183427.5438 -148952.1279 298.7074 253.7368 284.8854 557096.5266 -12.8386 -12.9337 LDB: ============= START OF LOAD BALANCING ============== 11565.4 LDB: ============== END OF LOAD BALANCING =============== 11565.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11565.4 LDB: ============= START OF LOAD BALANCING ============== 11565.7 LDB: Largest compute 4802 load 0.022474 is 19.0% of average load 0.118254 LDB: Average compute 0.001741 is 1.5% of average load 0.118254 LDB: TIME 11565.7 LOAD: AVG 0.118254 MAX 0.19621 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.055 MB LDB: TIME 11565.7 LOAD: AVG 0.118254 MAX 0.19621 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.113 MB LDB: TIME 11565.7 LOAD: AVG 0.118254 MAX 0.19621 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.113 MB LDB: ============== END OF LOAD BALANCING =============== 11565.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11565.7 PRESSURE: 3888400 -7.79092 -47.0174 -11.1685 -47.0165 -291.351 162.197 -11.1677 162.197 -150.989 GPRESSURE: 3888400 43.5329 16.4588 -160.619 -27.105 -240.1 205.462 86.4065 121.948 -152.515 PRESSAVG: 3888400 -32.8989 8.22001 34.2222 8.2199 46.1026 5.18681 34.2222 5.18693 2.47897 GPRESSAVG: 3888400 -33.5075 8.9563 34.53 7.75396 46.7153 3.35525 35.5962 4.43325 2.70706 TIMING: 3888400 CPU: 11562.5, 0.00297935/step Wall: 11562.5, 0.00297935/step, 0.919957 hours remaining, 207.441406 MB of memory in use. ENERGY: 3888400 757.7920 2108.6310 1924.7312 104.5683 -206002.3365 17559.2930 0.0000 0.0000 34485.6628 -149061.6582 301.1719 -183547.3210 -148976.3643 299.5952 -150.0438 -116.3606 557705.4625 5.2276 5.3050 PRESSURE: 3888600 39.2603 68.0027 -51.9502 68.0016 -270.358 99.784 -51.9498 99.7836 102.94 GPRESSURE: 3888600 60.1739 55.1751 1.04422 3.87471 -251.991 36.7136 -83.4858 176.317 154.601 PRESSAVG: 3888600 -32.9954 2.94939 45.5647 2.94934 -13.8791 30.55 45.5648 30.55 55.5569 GPRESSAVG: 3888600 -33.3823 2.67083 45.4643 1.87012 -13.8688 30.5629 44.4973 30.4538 55.3235 TIMING: 3888600 CPU: 11563.1, 0.00293592/step Wall: 11563.1, 0.00293592/step, 0.906384 hours remaining, 207.441406 MB of memory in use. ENERGY: 3888600 771.6389 2121.5905 1941.8388 110.6160 -206356.2876 17763.8204 0.0000 0.0000 34311.1015 -149335.6815 299.6474 -183646.7830 -149232.1478 300.1396 -42.7195 -12.4055 555607.9575 2.8941 2.6908 PRESSURE: 3888800 151.59 151.425 58.8044 151.425 -168.034 -29.1484 58.804 -29.1474 -76.2415 GPRESSURE: 3888800 135.894 185.631 71.7233 39.5989 -75.8475 -45.0833 1.60974 -98.7758 -58.9586 PRESSAVG: 3888800 -6.68502 18.8647 23.6488 18.8648 20.7211 23.376 23.6488 23.3759 14.4711 GPRESSAVG: 3888800 -7.25174 18.912 23.0811 18.7641 19.921 23.9102 26.0757 25.2529 15.6948 TIMING: 3888800 CPU: 11563.7, 0.00293724/step Wall: 11563.7, 0.00293724/step, 0.906628 hours remaining, 207.441406 MB of memory in use. ENERGY: 3888800 735.1568 2085.3232 1932.7909 107.2140 -206003.3197 17627.9567 0.0000 0.0000 34168.6357 -149346.2424 298.4032 -183514.8781 -149249.1003 299.1002 -30.8952 0.3625 558222.6934 9.5024 9.4547 PRESSURE: 3889000 123.675 116.628 40.147 116.628 134.377 78.7661 40.1462 78.7643 -109.138 GPRESSURE: 3889000 190.474 87.9848 85.3586 212.472 139.192 82.9086 -6.76145 20.8386 -79.7248 PRESSAVG: 3889000 110.319 8.91637 64.3201 8.91643 -7.39211 7.91643 64.32 7.9165 -67.3799 GPRESSAVG: 3889000 110.717 8.7648 64.3983 8.12108 -7.7003 8.44422 60.9769 8.28254 -67.8779 TIMING: 3889000 CPU: 11564.3, 0.0029504/step Wall: 11564.3, 0.0029504/step, 0.910527 hours remaining, 207.441406 MB of memory in use. ENERGY: 3889000 745.6872 2167.3751 1913.3328 123.1282 -206251.2710 17896.7951 0.0000 0.0000 34324.8760 -149080.0766 299.7677 -183404.9526 -148985.0715 299.3130 49.6379 83.3140 558724.6116 11.8490 11.7129 PRESSURE: 3889200 -57.2022 76.0825 67.6764 76.082 -64.655 -123.956 67.6763 -123.955 -280.728 GPRESSURE: 3889200 6.67241 83.6522 149.317 113.207 -2.95339 -203.954 131.379 -124.725 -309.519 PRESSAVG: 3889200 38.1801 -32.5211 50.6626 -32.5211 -21.3993 30.414 50.6625 30.4141 -66.5806 GPRESSAVG: 3889200 38.4152 -31.9957 50.5674 -31.4637 -21.5271 28.9835 51.8328 29.4051 -67.0138 TIMING: 3889200 CPU: 11564.8, 0.00291261/step Wall: 11564.8, 0.00291261/step, 0.898703 hours remaining, 207.441406 MB of memory in use. ENERGY: 3889200 748.2950 2130.6676 1929.2580 118.8487 -206056.0259 17649.5753 0.0000 0.0000 34436.1879 -149043.1934 300.7398 -183479.3813 -148943.7813 300.1223 -134.1949 -101.9334 557450.5901 -16.5999 -16.7085 PRESSURE: 3889400 -116.847 -36.4279 99.9839 -36.4282 83.294 -13.4418 99.9852 -13.442 65.6243 GPRESSURE: 3889400 -87.6764 -69.8827 66.0638 -8.9727 127.964 -86.7485 73.9313 -37.2071 80.7456 PRESSAVG: 3889400 30.8761 -23.3431 6.21558 -23.3431 86.6576 -35.1838 6.2156 -35.1838 -79.8807 GPRESSAVG: 3889400 30.4843 -23.6054 6.44149 -22.9429 88.1863 -35.1995 7.91302 -35.7907 -80.4952 TIMING: 3889400 CPU: 11565.4, 0.00291246/step Wall: 11565.4, 0.00291245/step, 0.898492 hours remaining, 207.441406 MB of memory in use. ENERGY: 3889400 775.6126 2177.3383 1943.9571 110.4403 -206297.0691 17964.1027 0.0000 0.0000 34331.2038 -148994.4142 299.8229 -183325.6180 -148900.7010 299.6773 10.6905 40.3443 557054.3420 12.5510 12.7252 PRESSURE: 3889600 123.6 181.89 118.872 181.89 4.16248 106.322 118.872 106.321 -11.1703 GPRESSURE: 3889600 142.025 92.5947 135.476 206.161 24.0958 137.231 63.469 56.7448 46.47 PRESSAVG: 3889600 77.5284 21.8073 13.1129 21.8074 -45.2002 22.9202 13.1129 22.9202 -27.8058 GPRESSAVG: 3889600 78.0957 20.733 12.5561 23.2516 -45.6119 24.7191 11.1781 24.8198 -28.504 TIMING: 3889600 CPU: 11566, 0.00290758/step Wall: 11566, 0.00290758/step, 0.896828 hours remaining, 207.441406 MB of memory in use. ENERGY: 3889600 694.0191 2135.6316 1927.1137 110.2512 -205829.4391 17502.1565 0.0000 0.0000 34320.1019 -149140.1651 299.7260 -183460.2670 -149042.0523 299.2439 38.8642 70.8634 556920.0489 1.5074 1.3266 PRESSURE: 3889800 15.996 -182.068 -35.3552 -182.069 -42.1159 -19.2426 -35.3539 -19.2434 188.124 GPRESSURE: 3889800 2.89949 -159.429 -17.8725 -154.182 14.3777 -44.4477 -50.5396 -29.4175 235.107 PRESSAVG: 3889800 36.3001 -41.3284 -24.8934 -41.3284 -27.5157 -3.83209 -24.8933 -3.83207 0.310059 GPRESSAVG: 3889800 35.5354 -40.1013 -24.1551 -42.8162 -27.9806 -5.73039 -23.8694 -3.65028 1.4417 TIMING: 3889800 CPU: 11566.6, 0.00294276/step Wall: 11566.6, 0.00294277/step, 0.907516 hours remaining, 207.441406 MB of memory in use. ENERGY: 3889800 728.0707 2115.1750 1899.8828 104.1458 -206205.6946 17961.1165 0.0000 0.0000 34372.3761 -149024.9277 300.1825 -183397.3038 -148929.0158 300.1604 54.0015 84.1282 558578.9059 3.0315 2.9988 PRESSURE: 3890000 -115.46 44.7311 -111.775 44.7307 -118.485 -50.0311 -111.776 -50.0317 -167.096 GPRESSURE: 3890000 -95.3507 5.21668 -71.9871 170.81 -70.3951 -52.8356 -115.696 -10.567 -141.124 PRESSAVG: 3890000 44.0225 -11.6685 -24.3274 -11.6685 -74.2407 29.7115 -24.3274 29.7114 24.6252 GPRESSAVG: 3890000 44.3 -11.8135 -27.6684 -11.1832 -74.2246 30.0013 -23.4116 27.0473 24.3638 TIMING: 3890000 CPU: 11567.2, 0.00294663/step Wall: 11567.2, 0.00294663/step, 0.908544 hours remaining, 207.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3890000 730.5332 2138.6243 1930.0373 118.8001 -205576.8906 17466.9398 0.0000 0.0000 34069.4747 -149122.4812 297.5372 -183191.9559 -149023.3349 300.2017 -133.6800 -102.2899 558366.7316 -1.8643 -1.8536 PRESSURE: 3890200 5.9709 112.499 -152.782 112.499 53.5732 32.4149 -152.782 32.4128 -288.615 GPRESSURE: 3890200 51.5587 212.54 -178.097 84.5152 99.6309 55.7876 -183.467 25.8145 -269.637 PRESSAVG: 3890200 29.8877 -41.1018 41.1119 -41.1018 11.9825 18.5179 41.1118 18.5179 -56.7636 GPRESSAVG: 3890200 30.1522 -39.5561 42.4815 -41.9899 11.5968 18.1846 39.6706 20.1237 -56.6644 TIMING: 3890200 CPU: 11567.8, 0.00290304/step Wall: 11567.8, 0.00290304/step, 0.894943 hours remaining, 207.441406 MB of memory in use. ENERGY: 3890200 756.2039 2079.6365 1956.2553 124.3325 -205902.4422 17685.3567 0.0000 0.0000 34073.7128 -149226.9446 297.5742 -183300.6574 -149134.5519 299.3649 -76.3569 -39.4823 557513.0860 -4.9644 -4.9718 PRESSURE: 3890400 -161.361 -80.3102 -153.643 -80.31 -59.4284 -16.2932 -153.643 -16.2941 151.69 GPRESSURE: 3890400 -124.246 -132.626 -135.054 -79.9536 -29.0602 2.46964 -148.472 -102.806 180.647 PRESSAVG: 3890400 -9.7436 -44.9983 -19.1557 -44.9984 -16.3934 1.9176 -19.1557 1.91771 39.3056 GPRESSAVG: 3890400 -10.8806 -46.7557 -17.5858 -45.3898 -16.0577 3.44747 -18.9353 1.02575 39.6519 TIMING: 3890400 CPU: 11568.3, 0.00290224/step Wall: 11568.3, 0.00290224/step, 0.894535 hours remaining, 207.441406 MB of memory in use. ENERGY: 3890400 740.5407 2140.9908 1925.2108 113.0023 -206336.3050 17810.1017 0.0000 0.0000 34401.7328 -149204.7258 300.4389 -183606.4587 -149103.1648 299.8955 -23.0333 9.1136 558008.7466 4.3895 4.2378 PRESSURE: 3890600 320.356 -53.3076 -90.5196 -53.307 463.293 50.2226 -90.5198 50.2235 14.9457 GPRESSURE: 3890600 329.71 -32.3881 -32.2548 -103.308 492.54 124.484 -54.0251 -39.2779 73.3404 PRESSAVG: 3890600 -57.9368 15.5675 -25.2129 15.5674 12.4391 26.1721 -25.2128 26.172 2.71358 GPRESSAVG: 3890600 -57.5903 15.2953 -25.0777 16.0943 11.8285 24.2408 -24.917 26.2416 2.85415 TIMING: 3890600 CPU: 11568.9, 0.00292191/step Wall: 11568.9, 0.00292191/step, 0.900434 hours remaining, 207.441406 MB of memory in use. ENERGY: 3890600 768.1277 2135.3514 1907.9661 118.0539 -206621.5604 18246.8595 0.0000 0.0000 34303.7920 -149141.4098 299.5835 -183445.2019 -149049.6339 299.9308 266.1983 298.5302 557134.4684 -14.2614 -14.3025 PRESSURE: 3890800 -155.575 -60.6956 160.588 -60.6951 -95.8217 54.2485 160.589 54.2482 -16.591 GPRESSURE: 3890800 -104.472 -64.3588 170.699 -80.8125 -101.771 43.9708 171.166 35.2464 23.4747 PRESSAVG: 3890800 -45.088 -19.8959 21.8991 -19.8959 30.1248 -17.7081 21.8991 -17.7081 21.467 GPRESSAVG: 3890800 -45.6019 -19.4971 21.2038 -19.8281 29.8118 -17.3031 20.8074 -16.8046 21.3614 TIMING: 3890800 CPU: 11569.5, 0.0029197/step Wall: 11569.5, 0.0029197/step, 0.899593 hours remaining, 207.441406 MB of memory in use. ENERGY: 3890800 746.9540 2089.8951 1938.6207 110.4857 -206021.1684 17704.8246 0.0000 0.0000 34317.7906 -149112.5976 299.7058 -183430.3883 -149018.3169 299.5226 -89.3292 -60.9229 557513.0731 2.1679 1.8571 PRESSURE: 3891000 -55.0714 30.1446 106.967 30.145 -116.69 87.3655 106.967 87.3641 -81.7018 GPRESSURE: 3891000 -37.3301 80.5179 91.2493 55.2083 -120.845 120.037 28.3776 45.4824 6.05073 PRESSAVG: 3891000 22.2005 -14.4667 24.5815 -14.4667 12.6846 30.8332 24.5815 30.8331 -11.2007 GPRESSAVG: 3891000 23.2576 -13.7397 23.1048 -15.3056 11.3274 30.9412 26.3836 29.7972 -10.8169 TIMING: 3891000 CPU: 11570.1, 0.00294673/step Wall: 11570.1, 0.00294673/step, 0.907755 hours remaining, 207.441406 MB of memory in use. ENERGY: 3891000 705.6545 2074.6190 1927.5356 123.7777 -205797.5742 17362.6756 0.0000 0.0000 34253.2947 -149350.0170 299.1425 -183603.3117 -149253.9608 299.6027 -84.4876 -50.7082 555650.1561 7.8948 7.9227 PRESSURE: 3891200 37.2853 61.0212 18.7189 61.0212 119.425 -177.333 18.7205 -177.333 98.2558 GPRESSURE: 3891200 56.1033 115.279 47.2369 -8.68958 170.211 -215.784 48.9354 -104.686 140.742 PRESSAVG: 3891200 -6.0181 -32.9244 26.6762 -32.9244 -21.4485 -37.2368 26.6762 -37.2369 -9.25934 GPRESSAVG: 3891200 -6.32124 -31.9386 27.549 -35.1049 -20.9707 -36.9735 24.6104 -36.4276 -9.32495 TIMING: 3891200 CPU: 11570.7, 0.00294061/step Wall: 11570.7, 0.00294061/step, 0.905708 hours remaining, 207.441406 MB of memory in use. ENERGY: 3891200 720.7344 2193.2837 1912.5066 115.7727 -206763.7365 17999.3749 0.0000 0.0000 34371.7214 -149450.3429 300.1768 -183822.0643 -149351.8033 299.0794 84.9888 122.3523 556312.9914 -12.2420 -12.2056 PRESSURE: 3891400 11.0473 159.84 92.9469 159.839 -16.2229 -71.0003 92.9462 -70.9997 130.081 GPRESSURE: 3891400 80.0825 151.019 55.5567 39.1528 -36.7559 -75.5304 130.394 14.5671 168.693 PRESSAVG: 3891400 -70.8633 -40.2964 20.4533 -40.2964 17.0757 -6.87462 20.4533 -6.87462 43.1045 GPRESSAVG: 3891400 -70.068 -42.7941 21.3736 -37.9243 18.1528 -7.29283 22.9371 -6.93476 41.1171 TIMING: 3891400 CPU: 11571.3, 0.00293411/step Wall: 11571.3, 0.00293411/step, 0.903543 hours remaining, 207.441406 MB of memory in use. ENERGY: 3891400 738.9864 2156.3652 1947.9717 98.9805 -206666.8047 17955.2181 0.0000 0.0000 34302.9759 -149466.3069 299.5764 -183769.2829 -149366.1482 298.8222 41.6352 70.6732 557383.8724 -3.5610 -3.5994 PRESSURE: 3891600 71.058 204.153 56.4808 204.151 10.9725 45.6565 56.4814 45.6571 271.175 GPRESSURE: 3891600 99.5752 117.593 29.6825 218.52 132.685 69.2755 85.5082 24.3565 218.249 PRESSAVG: 3891600 -32.392 -3.96018 57.5212 -3.96016 -13.4218 -61.9093 57.5211 -61.9093 46.6918 GPRESSAVG: 3891600 -32.4218 -2.68192 57.4378 -4.07818 -13.2878 -61.0696 56.8114 -62.6184 46.9362 TIMING: 3891600 CPU: 11571.9, 0.0029591/step Wall: 11571.9, 0.0029591/step, 0.911074 hours remaining, 207.441406 MB of memory in use. ENERGY: 3891600 766.1970 2101.4418 1914.4313 118.2650 -206456.6797 17905.5047 0.0000 0.0000 34229.8890 -149420.9508 298.9381 -183650.8399 -149330.0345 298.4271 117.7351 150.1698 555731.3798 0.2926 0.4089 PRESSURE: 3891800 13.625 -37.2823 217.743 -37.2823 -165.191 -70.2684 217.743 -70.2672 -211.302 GPRESSURE: 3891800 -52.9835 -77.9628 177.148 36.527 -107.112 -184.548 154.955 11.3676 -106.647 PRESSAVG: 3891800 79.6606 6.5139 3.18322 6.51385 -21.7265 27.2663 3.18314 27.2663 -12.0335 GPRESSAVG: 3891800 79.0156 5.21659 2.88228 5.30769 -21.304 26.0706 3.76565 26.7843 -11.0038 TIMING: 3891800 CPU: 11572.5, 0.00292267/step Wall: 11572.5, 0.00292267/step, 0.899696 hours remaining, 207.441406 MB of memory in use. ENERGY: 3891800 770.9709 2062.4737 1923.9155 100.3252 -206262.8800 17662.8179 0.0000 0.0000 34421.1543 -149321.2225 300.6085 -183742.3768 -149225.0335 298.7565 -120.9558 -88.9141 556709.9053 15.3002 15.5693 PRESSURE: 3892000 -163.769 16.0465 -48.1687 16.0454 163.483 -22.8389 -48.1709 -22.8394 -123.112 GPRESSURE: 3892000 -141.771 43.8307 19.2839 38.7234 198.829 6.06497 -62.2416 0.190581 -82.8112 PRESSAVG: 3892000 49.9537 -15.9357 3.66856 -15.9356 -28.1159 18.7056 3.66859 18.7056 -50.5012 GPRESSAVG: 3892000 51.2434 -14.1401 4.46536 -14.5127 -29.701 21.597 3.09386 19.185 -50.8474 TIMING: 3892000 CPU: 11573, 0.00291978/step Wall: 11573, 0.00291978/step, 0.898642 hours remaining, 207.441406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3892000 755.9805 2086.0564 1914.0414 114.1572 -206067.5057 17756.5513 0.0000 0.0000 34227.9907 -149212.7282 298.9216 -183440.7189 -149106.7419 298.7257 -41.1326 -8.5844 557095.0114 -9.5545 -9.7683 PRESSURE: 3892200 -30.9858 -74.0589 83.5377 -74.0598 -157.373 -96.5281 83.5388 -96.5266 -196.411 GPRESSURE: 3892200 -51.0116 -81.1197 33.0857 -21.3813 -68.4717 -66.7697 105.617 -115.478 -171.121 PRESSAVG: 3892200 -1.43996 49.7346 -28.0931 49.7346 0.80789 -63.2298 -28.0932 -63.2298 2.72746 GPRESSAVG: 3892200 -3.23083 49.178 -30.5124 47.6663 1.7474 -65.8011 -27.6424 -61.9058 3.38118 TIMING: 3892200 CPU: 11573.6, 0.00294337/step Wall: 11573.6, 0.00294337/step, 0.905742 hours remaining, 207.441406 MB of memory in use. ENERGY: 3892200 734.9116 2116.4630 1910.5661 120.5270 -206094.5643 17540.0044 0.0000 0.0000 34416.9184 -149255.1739 300.5715 -183672.0923 -149159.3120 298.7934 -128.2567 -96.8682 557887.9912 0.6985 0.6326 LDB: ============= START OF LOAD BALANCING ============== 11577.2 LDB: ============== END OF LOAD BALANCING =============== 11577.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11577.2 LDB: ============= START OF LOAD BALANCING ============== 11577.5 LDB: Largest compute 4796 load 0.022459 is 19.0% of average load 0.118221 LDB: Average compute 0.001745 is 1.5% of average load 0.118221 LDB: TIME 11577.5 LOAD: AVG 0.118221 MAX 0.19902 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.398 MB LDB: TIME 11577.5 LOAD: AVG 0.118221 MAX 0.19902 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.602 MB LDB: TIME 11577.5 LOAD: AVG 0.118221 MAX 0.19902 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.602 MB LDB: ============== END OF LOAD BALANCING =============== 11577.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11577.5 PRESSURE: 3892400 68.519 18.6313 -53.9961 18.6317 -260.074 -57.5786 -53.9975 -57.5778 78.1599 GPRESSURE: 3892400 115.975 -37.0473 -53.2917 151.413 -233.745 -19.9187 -18.5617 -125.534 90.358 PRESSAVG: 3892400 19.6021 50.3525 29.057 50.3526 -38.6651 11.1284 29.057 11.1284 -3.85555 GPRESSAVG: 3892400 20.9681 50.2217 29.8991 49.8704 -39.0947 13.9358 28.8277 7.98367 -4.60334 TIMING: 3892400 CPU: 11574.2, 0.00302285/step Wall: 11574.2, 0.00302285/step, 0.930031 hours remaining, 207.949219 MB of memory in use. ENERGY: 3892400 754.2393 2092.1853 1915.0897 115.7185 -205905.4727 17600.5655 0.0000 0.0000 34257.7077 -149169.9665 299.1811 -183427.6742 -149080.1388 298.9148 -37.7983 -9.1373 557617.3418 -7.6395 -7.5766 PRESSURE: 3892600 -311.294 -38.4943 61.9704 -38.4935 -59.7292 27.066 61.9713 27.0647 -31.3809 GPRESSURE: 3892600 -266.879 51.7111 -44.132 -74.6706 -43.6538 20.7434 82.2271 32.1121 12.1299 PRESSAVG: 3892600 6.22946 14.83 4.73465 14.8299 -83.837 13.6085 4.73461 13.6084 -1.79114 GPRESSAVG: 3892600 5.23681 15.9347 4.73105 15.8458 -83.7321 8.95342 4.82763 17.0514 -0.891517 TIMING: 3892600 CPU: 11574.8, 0.00295722/step Wall: 11574.8, 0.00295722/step, 0.909674 hours remaining, 208.148438 MB of memory in use. ENERGY: 3892600 731.3758 2122.0086 1893.2825 116.4668 -206079.0485 17580.9330 0.0000 0.0000 34335.4515 -149299.5303 299.8600 -183634.9818 -149205.9123 299.3862 -134.1347 -99.4675 557019.7865 -26.4662 -26.4623 PRESSURE: 3892800 -50.2859 -20.6865 -23.7366 -20.686 155.904 -99.2541 -23.7362 -99.2541 -217.421 GPRESSURE: 3892800 49.0825 -73.5165 38.3661 -71.3304 157.788 -152.023 -101.715 -61.0176 -211.247 PRESSAVG: 3892800 -17.2605 5.26249 9.13986 5.26259 18.6386 -13.5857 9.13985 -13.5858 -20.662 GPRESSAVG: 3892800 -15.9764 4.9158 10.8365 4.46659 19.417 -13.3602 7.57138 -13.4504 -22.3696 TIMING: 3892800 CPU: 11575.4, 0.00296264/step Wall: 11575.4, 0.00296264/step, 0.911176 hours remaining, 208.148438 MB of memory in use. ENERGY: 3892800 735.4839 2065.9034 1896.8043 128.2718 -205975.1228 17759.8180 0.0000 0.0000 34013.5613 -149375.2800 297.0489 -183388.8414 -149266.0327 299.0033 -37.2673 -1.4589 557567.5764 -6.4280 -6.3097 PRESSURE: 3893000 25.1347 -56.765 108.681 -56.7647 -94.489 -91.8808 108.68 -91.8803 -59.2642 GPRESSURE: 3893000 23.2288 -64.9494 27.3681 -135.548 -33.2856 -11.3966 107.731 -51.3915 -18.6106 PRESSAVG: 3893000 45.075 57.1901 48.7618 57.19 -3.16338 -24.4421 48.7617 -24.442 -27.7698 GPRESSAVG: 3893000 43.6225 58.359 45.7092 56.0317 -4.01584 -22.9467 51.854 -25.026 -26.7256 TIMING: 3893000 CPU: 11576, 0.00294197/step Wall: 11576, 0.00294197/step, 0.904656 hours remaining, 208.148438 MB of memory in use. ENERGY: 3893000 746.0353 2072.3781 1906.5310 113.7031 -206089.0475 17819.2471 0.0000 0.0000 34023.1056 -149408.0473 297.1322 -183431.1529 -149305.8871 297.7968 -42.8728 -9.5558 557434.2226 4.7139 4.2937 PRESSURE: 3893200 22.0662 -26.9734 9.28019 -26.9738 -367.587 168.111 9.27924 168.109 -19.6911 GPRESSURE: 3893200 25.4589 64.8287 107.685 -55.2786 -300.561 245.346 -63.0374 76.1135 11.4827 PRESSAVG: 3893200 -6.45692 57.1696 -13.1988 57.1695 -49.8005 46.6051 -13.1989 46.605 9.66663 GPRESSAVG: 3893200 -6.43626 56.5571 -11.7951 59.0103 -49.7463 47.2186 -15.7508 44.3515 8.97103 TIMING: 3893200 CPU: 11576.6, 0.00293924/step Wall: 11576.6, 0.00293924/step, 0.903654 hours remaining, 208.148438 MB of memory in use. ENERGY: 3893200 746.2181 2065.5748 1940.4641 103.7617 -206019.1197 17687.2620 0.0000 0.0000 34148.8364 -149327.0027 298.2303 -183475.8392 -149230.6032 298.5315 -121.7374 -87.8731 557490.2985 -15.5303 -15.7372 PRESSURE: 3893400 -248.01 147.643 56.1201 147.644 -164.851 -12.4346 56.1206 -12.4336 -55.2717 GPRESSURE: 3893400 -207.615 154.697 143.131 179.446 -100.818 -25.5064 -21.6245 7.22787 -58.8332 PRESSAVG: 3893400 0.770268 48.8577 -64.4588 48.8578 -36.3153 38.6052 -64.4588 38.6052 10.3689 GPRESSAVG: 3893400 -0.365615 49.1598 -62.9532 48.6548 -35.9782 39.4865 -64.2153 39.3469 11.2479 TIMING: 3893400 CPU: 11577.2, 0.00293738/step Wall: 11577.2, 0.00293738/step, 0.902917 hours remaining, 208.148438 MB of memory in use. ENERGY: 3893400 770.7645 2108.2938 1909.3982 103.7373 -206108.9924 17708.2369 0.0000 0.0000 34180.2856 -149328.2759 298.5049 -183508.5616 -149236.4460 299.0515 -156.0443 -122.4223 557233.7197 -8.3920 -8.3653 PRESSURE: 3893600 116.722 99.9634 351.58 99.963 -53.936 -117.268 351.581 -117.267 160.247 GPRESSURE: 3893600 152.015 57.4106 349.505 143.551 -42.4626 -74.0265 327.657 -81.3465 205.544 PRESSAVG: 3893600 -24.029 28.2875 -46.3311 28.2874 65.0615 33.7789 -46.3311 33.7788 -2.08621 GPRESSAVG: 3893600 -24.2849 27.3023 -46.8187 29.9168 65.483 31.6865 -45.5167 34.5027 -2.23328 TIMING: 3893600 CPU: 11577.8, 0.00294644/step Wall: 11577.8, 0.00294644/step, 0.905539 hours remaining, 208.148438 MB of memory in use. ENERGY: 3893600 725.9545 2079.9693 1899.8378 124.8761 -206274.6413 17904.3780 0.0000 0.0000 34127.1036 -149412.5220 298.0405 -183539.6256 -149319.9117 298.8044 74.3442 105.0322 554511.7078 12.9821 12.9883 PRESSURE: 3893800 -199.132 -0.363009 66.9804 -0.362429 -157.326 64.0495 66.98 64.0501 224.653 GPRESSURE: 3893800 -176.821 32.4495 38.7477 -1.91836 -75.1092 47.5025 75.2653 68.1397 212.907 PRESSAVG: 3893800 -13.2924 2.4588 45.4522 2.45883 16.9903 -0.657233 45.4521 -0.657307 24.5979 GPRESSAVG: 3893800 -13.2456 0.829602 46.6158 2.87179 17.4462 0.120758 45.7487 -2.15287 23.9453 TIMING: 3893800 CPU: 11578.4, 0.00292984/step Wall: 11578.4, 0.00292984/step, 0.900273 hours remaining, 208.148438 MB of memory in use. ENERGY: 3893800 771.1974 2074.5164 1919.1333 109.0495 -206337.7435 17817.7877 0.0000 0.0000 34430.3057 -149215.7534 300.6884 -183646.0591 -149116.4774 299.4773 -43.9351 -13.0077 557049.7645 9.4320 9.3820 PRESSURE: 3894000 -144.949 78.3224 188.023 78.3219 -25.4481 -5.11191 188.023 -5.11003 193.177 GPRESSURE: 3894000 -163.068 24.2841 191.376 75.8244 17.3415 43.7523 85.2313 1.5884 263.105 PRESSAVG: 3894000 -11.3084 28.539 67.2417 28.539 7.42805 -15.7754 67.2418 -15.7754 -16.3375 GPRESSAVG: 3894000 -10.8192 27.6931 65.5417 25.9092 6.57663 -13.5946 64.5857 -15.518 -15.8741 TIMING: 3894000 CPU: 11578.9, 0.00296207/step Wall: 11578.9, 0.00296207/step, 0.910014 hours remaining, 208.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3894000 756.4564 2114.6249 1916.3792 113.0274 -206011.4282 17746.9106 0.0000 0.0000 34206.1471 -149157.8826 298.7308 -183364.0296 -149066.7342 299.7554 7.5934 39.1262 556567.0608 -6.7393 -6.7056 PRESSURE: 3894200 -48.8086 -4.40889 51.0816 -4.40828 47.9214 -60.4023 51.0809 -60.403 -13.4533 GPRESSURE: 3894200 42.8262 -4.04878 -12.7313 24.2093 63.8291 -101.597 141.138 68.0718 -20.1743 PRESSAVG: 3894200 38.2218 -43.4449 12.0868 -43.4449 43.3789 28.7782 12.0868 28.7782 -44.6133 GPRESSAVG: 3894200 37.1216 -40.9187 10.8927 -41.3027 44.4535 25.8494 13.2858 30.1199 -44.5402 TIMING: 3894200 CPU: 11579.5, 0.00293592/step Wall: 11579.5, 0.00293592/step, 0.901818 hours remaining, 208.148438 MB of memory in use. ENERGY: 3894200 760.0758 2103.5315 1909.8397 127.1045 -206074.6909 17728.6010 0.0000 0.0000 34120.1750 -149325.3634 297.9800 -183445.5384 -149241.5614 299.3197 -4.7802 28.8270 557123.5583 12.3291 12.3450 PRESSURE: 3894400 217.461 25.255 96.1188 25.2547 113.852 115.37 96.1193 115.371 -113.847 GPRESSURE: 3894400 251.426 12.0007 114.329 -9.86519 111.525 151.09 1.66786 132.262 -56.9665 PRESSAVG: 3894400 -20.1322 12.5935 -8.99782 12.5934 28.7343 -12.1793 -8.99772 -12.1793 -34.1774 GPRESSAVG: 3894400 -19.2251 11.4565 -7.64584 11.5051 27.5299 -10.3994 -7.86423 -13.0816 -33.4864 TIMING: 3894400 CPU: 11580.1, 0.00294634/step Wall: 11580.1, 0.00294634/step, 0.904853 hours remaining, 208.148438 MB of memory in use. ENERGY: 3894400 744.6499 2098.9837 1908.5371 113.1063 -206081.5251 17875.8592 0.0000 0.0000 34246.6249 -149093.7641 299.0843 -183340.3890 -148995.7541 299.5489 72.4887 101.9947 557383.5542 -8.5251 -8.3939 PRESSURE: 3894600 -233.846 -9.90192 50.449 -9.90212 24.8701 74.8692 50.4499 74.8696 -5.36885 GPRESSURE: 3894600 -238.176 -68.6034 56.1953 61.2903 70.2072 19.3717 76.0537 97.5116 50.9855 PRESSAVG: 3894600 40.2295 8.64859 22.9953 8.64858 48.0868 47.3693 22.9953 47.3692 -55.0453 GPRESSAVG: 3894600 40.581 9.92258 22.0258 7.29352 47.4329 45.9068 22.7419 47.9068 -55.4185 TIMING: 3894600 CPU: 11580.7, 0.00298063/step Wall: 11580.7, 0.00298063/step, 0.915219 hours remaining, 208.148438 MB of memory in use. ENERGY: 3894600 793.7203 2110.7495 1908.6150 105.8713 -206110.8103 17824.7456 0.0000 0.0000 34318.1759 -149048.9326 299.7092 -183367.1085 -148956.6920 299.7392 -71.4482 -38.9943 558656.9856 11.0904 10.8652 PRESSURE: 3894800 -20.3975 -82.3262 -158.24 -82.3257 -22.4547 -94.2238 -158.242 -94.2236 -126.254 GPRESSURE: 3894800 6.55926 -157.536 -98.8498 -39.6234 0.609687 -79.2423 -171.171 -48.6657 -60.8929 PRESSAVG: 3894800 -59.3291 -3.07304 -11.2864 -3.07304 87.8094 -14.7379 -11.2865 -14.7378 -63.7333 GPRESSAVG: 3894800 -60.052 -2.54589 -8.85116 -1.12489 88.0921 -16.9747 -12.2143 -13.662 -63.1526 TIMING: 3894800 CPU: 11581.3, 0.0029994/step Wall: 11581.3, 0.0029994/step, 0.920815 hours remaining, 208.148438 MB of memory in use. ENERGY: 3894800 744.9435 2099.5764 1933.0764 107.7821 -206229.9358 17853.5632 0.0000 0.0000 34365.8480 -149125.1462 300.1255 -183490.9942 -149024.3296 299.1713 -56.3687 -17.9080 557591.1574 -11.7510 -11.7042 PRESSURE: 3895000 136.385 132.091 -19.812 132.091 -40.9642 50.468 -19.8114 50.4686 37.3686 GPRESSURE: 3895000 170.055 29.7381 18.9291 165.548 16.1719 95.5946 -97.6193 74.2189 36.2759 PRESSAVG: 3895000 1.41307 -19.1643 6.19575 -19.1643 18.6813 47.6168 6.1959 47.6168 2.67009 GPRESSAVG: 3895000 1.30715 -18.1157 3.98828 -19.9299 19.8474 49.1659 7.7418 47.1693 1.67836 TIMING: 3895000 CPU: 11581.9, 0.00299155/step Wall: 11581.9, 0.00299154/step, 0.918238 hours remaining, 208.148438 MB of memory in use. ENERGY: 3895000 769.5979 2103.3045 1918.9763 115.6421 -206395.1456 18050.6790 0.0000 0.0000 34258.1356 -149178.8102 299.1848 -183436.9459 -149079.9675 299.3237 44.2631 74.1675 557326.4073 7.5881 7.6110 PRESSURE: 3895200 44.6433 -41.6169 -2.41853 -41.6178 6.69437 98.4083 -2.41818 98.4077 -140.475 GPRESSURE: 3895200 168.758 76.5038 70.8625 -82.3583 15.4552 125.846 -14.7926 112.616 -163.011 PRESSAVG: 3895200 131.962 9.6536 -9.35413 9.65353 2.18363 65.4691 -9.3542 65.4691 -90.887 GPRESSAVG: 3895200 133.221 7.89688 -9.49679 11.4297 2.1957 67.582 -10.2941 63.2862 -91.7848 TIMING: 3895200 CPU: 11582.5, 0.00296698/step Wall: 11582.5, 0.00296698/step, 0.910535 hours remaining, 208.148438 MB of memory in use. ENERGY: 3895200 746.5607 2053.6180 1908.5262 109.4564 -206178.7627 17768.9249 0.0000 0.0000 34367.0754 -149224.6012 300.1362 -183591.6766 -149121.7700 299.2811 -29.7125 7.0675 557534.2201 14.4194 14.5439 PRESSURE: 3895400 -39.9936 -122.771 90.6292 -122.771 119.644 -49.7601 90.6293 -49.7603 -6.58419 GPRESSURE: 3895400 -15.8205 -102.764 125.889 -136.76 149.161 -89.4791 26.4258 -27.053 35.9182 PRESSAVG: 3895400 38.577 -23.9809 41.1559 -23.981 12.3965 -6.79754 41.1559 -6.79753 -49.2511 GPRESSAVG: 3895400 37.994 -22.0191 42.9785 -26.4983 11.3398 -5.95283 40.6379 -4.68987 -47.5859 TIMING: 3895400 CPU: 11583.1, 0.00297075/step Wall: 11583.1, 0.00297075/step, 0.911525 hours remaining, 208.148438 MB of memory in use. ENERGY: 3895400 756.5997 2056.4721 1931.3479 114.9838 -206082.3657 17813.0199 0.0000 0.0000 34272.7498 -149137.1926 299.3124 -183409.9424 -149035.5208 298.9957 24.3553 56.4194 557753.1686 0.5741 0.5826 PRESSURE: 3895600 -117.582 -60.7927 38.8711 -60.7931 -236.024 4.85125 38.8718 4.85111 -236.653 GPRESSURE: 3895600 -96.848 2.46791 2.90466 -33.2404 -212.219 -57.0555 35.9083 8.27973 -176.005 PRESSAVG: 3895600 -14.9857 -13.644 22.9587 -13.6439 -10.6793 3.42361 22.9587 3.42367 21.6546 GPRESSAVG: 3895600 -14.8706 -15.7093 22.6126 -13.47 -10.0839 1.18979 24.7778 3.23583 21.1376 TIMING: 3895600 CPU: 11583.7, 0.00293172/step Wall: 11583.7, 0.00293172/step, 0.899388 hours remaining, 208.148438 MB of memory in use. ENERGY: 3895600 779.5085 2072.4034 1948.5998 110.9971 -205933.3869 17532.2139 0.0000 0.0000 34317.1516 -149172.5125 299.7002 -183489.6641 -149079.5899 299.3182 -196.7527 -161.6906 558868.2024 -1.3368 -1.2723 PRESSURE: 3895800 197.256 36.4887 90.3881 36.4878 -207.557 82.3574 90.3881 82.357 3.62203 GPRESSURE: 3895800 226 -37.6518 112.094 44.8084 -191.453 54.6899 -26.6977 103.376 48.9218 PRESSAVG: 3895800 56.993 14.281 -6.10516 14.281 -3.95117 9.90515 -6.10521 9.9049 -30.1531 GPRESSAVG: 3895800 57.2365 15.8873 -7.15451 15.3339 -4.08105 10.7396 -6.06234 7.89656 -30.3879 TIMING: 3895800 CPU: 11584.3, 0.0029282/step Wall: 11584.3, 0.0029282/step, 0.898144 hours remaining, 208.148438 MB of memory in use. ENERGY: 3895800 738.6614 2168.0242 1927.7933 108.8388 -206073.1028 17769.8852 0.0000 0.0000 34205.1860 -149154.7140 298.7224 -183359.9000 -149060.6751 299.0846 -2.2264 27.8230 558556.9535 7.6296 7.5892 PRESSURE: 3896000 -301.673 131.234 -74.6139 131.233 -324.147 -77.18 -74.6131 -77.1808 -97.7712 GPRESSURE: 3896000 -291.017 92.1007 -33.4945 152.06 -238.233 -114.489 -44.1588 -26.951 -81.5937 PRESSAVG: 3896000 -22.3844 18.7026 16.0865 18.7025 -1.66879 -14.5984 16.0865 -14.5984 65.2932 GPRESSAVG: 3896000 -22.845 16.4662 16.7053 19.2769 -1.68815 -15.5277 15.7774 -13.2991 65.8123 TIMING: 3896000 CPU: 11584.9, 0.00293567/step Wall: 11584.9, 0.00293567/step, 0.900273 hours remaining, 208.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3896000 762.5764 2174.6914 1920.4022 130.7436 -205936.1265 17392.8822 0.0000 0.0000 34321.4417 -149233.3890 299.7377 -183554.8307 -149138.9287 299.6069 -241.1973 -203.6144 557708.8631 13.7466 13.7597 PRESSURE: 3896200 -344.265 -123.304 54.5247 -123.304 100.442 -109.542 54.5241 -109.543 112.491 GPRESSURE: 3896200 -281.961 -172.502 79.1484 -191.686 85.0397 -165.097 109.872 -97.1016 154.009 PRESSAVG: 3896200 -39.4397 -10.0978 -15.3229 -10.0978 -38.1211 -42.4036 -15.3229 -42.4036 30.8988 GPRESSAVG: 3896200 -38.8364 -8.12876 -14.0672 -11.5745 -38.617 -44.3942 -19.4673 -40.046 30.8114 TIMING: 3896200 CPU: 11585.5, 0.00291855/step Wall: 11585.5, 0.00291855/step, 0.894859 hours remaining, 208.148438 MB of memory in use. ENERGY: 3896200 766.5585 2125.8086 1908.9382 110.7822 -205983.4692 17738.8757 0.0000 0.0000 34162.9215 -149169.5846 298.3533 -183332.5060 -149080.3270 299.5440 -43.7770 -14.3041 558621.6863 -15.5540 -15.5473 LDB: ============= START OF LOAD BALANCING ============== 11589 LDB: ============== END OF LOAD BALANCING =============== 11589 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11589 LDB: ============= START OF LOAD BALANCING ============== 11589.3 LDB: Largest compute 4801 load 0.021051 is 17.8% of average load 0.118320 LDB: Average compute 0.001747 is 1.5% of average load 0.118320 LDB: TIME 11589.3 LOAD: AVG 0.11832 MAX 0.19622 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.051 MB LDB: TIME 11589.3 LOAD: AVG 0.11832 MAX 0.19622 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.051 MB LDB: TIME 11589.3 LOAD: AVG 0.11832 MAX 0.19622 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.051 MB LDB: ============== END OF LOAD BALANCING =============== 11589.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11589.3 PRESSURE: 3896400 -252.399 -195.788 -7.43062 -195.788 -47.4442 -78.283 -7.43003 -78.2831 -103.234 GPRESSURE: 3896400 -194.576 -167.52 -2.33068 -195.458 -36.1126 -71.4128 1.46464 -57.2064 -70.516 PRESSAVG: 3896400 7.91854 -19.9719 -28.1355 -19.9719 -9.83975 -45.2912 -28.1355 -45.2912 16.8019 GPRESSAVG: 3896400 7.12155 -19.95 -28.1364 -19.4253 -7.98766 -42.7021 -26.7152 -47.9495 15.5425 TIMING: 3896400 CPU: 11586.1, 0.00300314/step Wall: 11586.1, 0.00300314/step, 0.92063 hours remaining, 205.828125 MB of memory in use. ENERGY: 3896400 729.9665 2079.5096 1915.6079 119.1910 -205947.6925 17522.5606 0.0000 0.0000 34453.4236 -149127.4332 300.8903 -183580.8568 -149035.4607 299.5701 -134.3590 -100.4016 558144.8723 4.9602 4.8921 PRESSURE: 3896600 224.129 49.5796 -64.6811 49.5803 -137.849 59.755 -64.6799 59.7542 212.534 GPRESSURE: 3896600 259.828 120.235 -69.1608 61.8717 -54.3357 13.506 -79.598 127.053 199.55 PRESSAVG: 3896600 46.401 -11.3221 -35.8829 -11.322 -11.8721 -6.27378 -35.8828 -6.2738 -55.6287 GPRESSAVG: 3896600 46.6467 -13.479 -38.2327 -10.8503 -12.1001 -6.35469 -34.513 -6.02354 -55.4188 TIMING: 3896600 CPU: 11586.6, 0.00292866/step Wall: 11586.6, 0.00292866/step, 0.897633 hours remaining, 206.027344 MB of memory in use. ENERGY: 3896600 767.6548 2154.0168 1956.2416 113.7097 -206209.6588 17970.2813 0.0000 0.0000 34253.8618 -148993.8928 299.1475 -183247.7546 -148894.2427 300.4976 99.6044 135.0139 558229.1678 -7.0333 -6.9574 PRESSURE: 3896800 -139.059 -28.436 -73.6771 -28.4357 -194.669 115.524 -73.6786 115.526 -57.6443 GPRESSURE: 3896800 -130.832 6.69301 -148.048 -13.7449 -131.312 128.324 -16.6197 131.367 -39.986 PRESSAVG: 3896800 39.0279 5.20496 -33.5178 5.20492 -33.0969 41.2452 -33.5178 41.2452 -11.1831 GPRESSAVG: 3896800 39.9072 8.84403 -32.5291 4.61492 -34.2034 42.3024 -32.9144 41.0718 -11.246 TIMING: 3896800 CPU: 11587.2, 0.0029216/step Wall: 11587.2, 0.0029216/step, 0.895307 hours remaining, 206.027344 MB of memory in use. ENERGY: 3896800 754.1729 2129.6425 1923.5711 102.5975 -205942.7951 17631.3837 0.0000 0.0000 34385.2784 -149016.1489 300.2952 -183401.4273 -148915.6169 299.7664 -130.4576 -100.7103 558198.2890 -1.7507 -1.8474 PRESSURE: 3897000 150.924 -113.041 -51.5194 -113.042 103.537 55.1998 -51.5186 55.2025 -98.1321 GPRESSURE: 3897000 137.653 -56.6847 -21.4479 -150.595 195.505 167.029 -40.0529 2.55227 -80.2882 PRESSAVG: 3897000 -10.4521 -9.13881 -65.6404 -9.13887 20.4438 -3.52507 -65.6404 -3.52501 2.68117 GPRESSAVG: 3897000 -12.0823 -11.9203 -66.1294 -8.25751 20.8591 -2.78159 -65.5349 -4.40225 3.59144 TIMING: 3897000 CPU: 11587.8, 0.002912/step Wall: 11587.8, 0.00291201/step, 0.892206 hours remaining, 206.027344 MB of memory in use. ENERGY: 3897000 773.2740 2135.3395 1935.7610 113.2672 -206442.9969 17988.0902 0.0000 0.0000 34544.8302 -148952.4349 301.6886 -183497.2651 -148856.2423 300.6852 52.1097 84.2899 558112.7616 4.2243 4.1228 PRESSURE: 3897200 -94.4806 132.137 -78.4412 132.136 22.9723 121.856 -78.4408 121.856 -47.6484 GPRESSURE: 3897200 -69.5203 3.25065 -62.2202 209.184 66.4754 76.2495 -83.3508 92.2182 -29.5516 PRESSAVG: 3897200 -11.389 -61.2399 -36.1162 -61.2399 90.5728 67.1239 -36.1162 67.124 -80.5068 GPRESSAVG: 3897200 -11.2488 -59.5926 -35.9876 -61.7635 89.7016 65.8587 -38.5713 67.8788 -80.3215 TIMING: 3897200 CPU: 11588.4, 0.00290887/step Wall: 11588.4, 0.00290887/step, 0.891083 hours remaining, 206.027344 MB of memory in use. ENERGY: 3897200 779.7666 2155.0732 1914.7560 111.5189 -205928.6659 17623.5692 0.0000 0.0000 34358.5138 -148985.4682 300.0614 -183343.9821 -148889.8694 300.1413 -39.7189 -10.8655 557416.2625 -0.4410 -0.6229 PRESSURE: 3897400 98.8445 56.1549 20.216 56.1564 -64.7964 8.28581 20.2158 8.28653 -281.118 GPRESSURE: 3897400 128.501 41.7393 61.8917 120.111 -71.5165 -48.8877 4.98859 75.3441 -201.936 PRESSAVG: 3897400 -12.5546 20.2344 29.362 20.2344 -3.15129 0.539539 29.362 0.539698 -29.763 GPRESSAVG: 3897400 -11.9161 22.4227 28.3511 20.8337 -3.75839 0.250977 31.4323 2.12654 -30.0427 TIMING: 3897400 CPU: 11589, 0.00290285/step Wall: 11589, 0.00290285/step, 0.889077 hours remaining, 206.027344 MB of memory in use. ENERGY: 3897400 783.1975 2151.3639 1932.0546 124.4163 -205803.5771 17440.9333 0.0000 0.0000 34322.3523 -149049.2593 299.7456 -183371.6115 -148947.6753 300.1695 -82.3567 -48.3170 556275.6913 -15.1563 -15.2390 PRESSURE: 3897600 133.24 -143.908 -102.155 -143.908 -63.7442 -39.6804 -102.154 -39.6801 -55.8025 GPRESSURE: 3897600 165.784 -108.939 -91.6634 -106.298 3.04202 -32.9841 -25.5156 -108.918 -60.5016 PRESSAVG: 3897600 41.738 7.24188 -42.7135 7.24189 -9.77928 -14.1097 -42.7135 -14.1096 -53.4048 GPRESSAVG: 3897600 40.5805 3.42542 -40.4736 8.82022 -8.04975 -12.5274 -42.7311 -15.4964 -53.854 TIMING: 3897600 CPU: 11589.6, 0.00295065/step Wall: 11589.6, 0.00295065/step, 0.903554 hours remaining, 206.027344 MB of memory in use. ENERGY: 3897600 765.5438 2151.0299 1929.0070 114.9480 -206016.5502 17753.6118 0.0000 0.0000 34275.0235 -149027.3863 299.3323 -183302.4098 -148927.0729 299.8734 4.5646 36.1081 557924.8349 -7.1487 -7.1078 PRESSURE: 3897800 -210.23 38.1066 -53.0514 38.1069 -419.894 -102.829 -53.0515 -102.829 111.364 GPRESSURE: 3897800 -219.65 29.2376 -13.305 35.0597 -398.902 -34.3814 -47.3367 -87.7978 198.08 PRESSAVG: 3897800 15.9111 6.37743 -0.858646 6.37746 -39.3202 -50.4853 -0.858655 -50.4852 -21.0617 GPRESSAVG: 3897800 16.9108 6.52236 -0.729628 4.74019 -40.6457 -50.4531 -0.495501 -51.2033 -21.1619 TIMING: 3897800 CPU: 11590.1, 0.00293598/step Wall: 11590.1, 0.00293598/step, 0.898898 hours remaining, 206.027344 MB of memory in use. ENERGY: 3897800 767.4634 2186.0035 1924.1658 120.6433 -206047.1238 17717.6072 0.0000 0.0000 34438.8542 -148892.3863 300.7631 -183331.2404 -148799.5497 300.1251 -172.9201 -140.1574 558276.4389 -14.8236 -14.9656 PRESSURE: 3898000 -130.089 78.2282 77.089 78.2288 -211.921 -135.541 77.0883 -135.54 59.3997 GPRESSURE: 3898000 -103.493 106.005 107.605 58.4606 -160.277 -126.881 44.5672 -82.2571 88.8344 PRESSAVG: 3898000 35.6527 -10.0621 10.7456 -10.062 -21.5305 -63.7614 10.7456 -63.7615 -26.5373 GPRESSAVG: 3898000 36.1104 -10.1397 10.0084 -10.0587 -20.2234 -65.1048 11.3001 -62.8867 -26.9731 TIMING: 3898000 CPU: 11590.7, 0.00294401/step Wall: 11590.7, 0.00294401/step, 0.901195 hours remaining, 206.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3898000 798.0593 2099.1667 1955.1100 128.6322 -205960.2562 17720.3811 0.0000 0.0000 34074.2969 -149184.6100 297.5793 -183258.9070 -149083.7882 300.1049 -94.2035 -58.3119 556721.3415 -4.1383 -3.6954 PRESSURE: 3898200 86.3508 66.8178 -66.8252 66.8189 246.707 -27.6861 -66.8247 -27.6864 280.397 GPRESSURE: 3898200 134.296 10.7941 -1.65068 114.927 249.516 45.2309 -73.279 -75.0123 338.231 PRESSAVG: 3898200 19.8977 -19.1878 30.7532 -19.1878 -52.4779 8.42337 30.7533 8.42327 48.9414 GPRESSAVG: 3898200 20.9143 -19.435 31.6141 -16.8051 -54.1609 9.48495 29.38 7.87492 49.5559 TIMING: 3898200 CPU: 11591.3, 0.00294697/step Wall: 11591.3, 0.00294697/step, 0.901935 hours remaining, 206.027344 MB of memory in use. ENERGY: 3898200 783.2578 2083.2034 1913.8786 103.9877 -206527.4795 18147.9704 0.0000 0.0000 34332.1645 -149163.0170 299.8313 -183495.1815 -149055.8826 299.4592 204.4849 240.6811 556227.4517 5.4537 5.4364 PRESSURE: 3898400 48.0352 35.2882 -80.2715 35.2877 29.7046 -13.9686 -80.2716 -13.9665 42.4635 GPRESSURE: 3898400 94.3164 43.0873 -156.178 36.0149 117.706 -48.8219 20.0635 26.7726 -3.15261 PRESSAVG: 3898400 24.0539 -29.7569 4.60556 -29.757 -32.8328 11.4371 4.60554 11.4371 -13.4434 GPRESSAVG: 3898400 23.459 -30.1086 4.30042 -30.1751 -31.6788 12.5448 2.33058 10.7681 -14.1976 TIMING: 3898400 CPU: 11591.9, 0.00294322/step Wall: 11591.9, 0.00294322/step, 0.900624 hours remaining, 206.027344 MB of memory in use. ENERGY: 3898400 781.4946 2123.5295 1928.1425 119.0531 -206007.6556 17746.1750 0.0000 0.0000 34416.4196 -148892.8413 300.5672 -183309.2610 -148789.0745 299.9082 40.0678 69.6233 556596.4188 -7.4074 -7.4725 PRESSURE: 3898600 256.016 -73.7068 -268.857 -73.7061 24.2421 52.4134 -268.858 52.4115 10.2543 GPRESSURE: 3898600 288.672 -76.8668 -239.723 -73.0563 71.1367 22.2739 -152.105 161.209 27.2256 PRESSAVG: 3898600 19.193 40.6919 -67.3907 40.6918 -44.9427 -10.9589 -67.3908 -10.959 24.8533 GPRESSAVG: 3898600 18.982 42.2319 -66.438 40.987 -46.3703 -11.1101 -66.0956 -8.34942 26.6135 TIMING: 3898600 CPU: 11592.5, 0.00294971/step Wall: 11592.5, 0.00294971/step, 0.902447 hours remaining, 206.027344 MB of memory in use. ENERGY: 3898600 741.0271 2104.2163 1895.8659 113.7062 -206190.6171 17928.8048 0.0000 0.0000 34453.2692 -148953.7276 300.8890 -183406.9968 -148862.1907 300.9140 96.8375 129.0114 556442.0337 -0.2988 -0.2583 PRESSURE: 3898800 -148.657 -176.43 107.039 -176.43 279.107 4.34058 107.039 4.34072 -22.9007 GPRESSURE: 3898800 -106.327 -241.759 104.364 -73.6313 306.862 -24.8782 45.5792 51.1616 0.1372 PRESSAVG: 3898800 48.4917 -9.21122 -38.4525 -9.21129 -20.3065 22.1488 -38.4525 22.1487 23.5606 GPRESSAVG: 3898800 47.9892 -8.68674 -39.502 -11.9832 -18.8168 20.2916 -36.841 20.9211 23.0767 TIMING: 3898800 CPU: 11593.1, 0.0029659/step Wall: 11593.1, 0.0029659/step, 0.907237 hours remaining, 206.027344 MB of memory in use. ENERGY: 3898800 753.5967 2149.4069 1919.7729 110.3785 -206298.4505 17785.2508 0.0000 0.0000 34383.0491 -149196.9956 300.2757 -183580.0447 -149097.5717 300.4655 35.8497 66.8906 556492.9227 17.2486 17.4164 PRESSURE: 3899000 -287.231 -98.7825 166.004 -98.7828 -341.937 -54.66 166.004 -54.6588 -14.732 GPRESSURE: 3899000 -245.097 -78.2384 144.543 -2.9159 -316.692 -22.0962 125.319 -103.406 22.185 PRESSAVG: 3899000 42.9505 -40.5802 -21.1116 -40.5802 -53.2931 18.1805 -21.1116 18.1807 17.728 GPRESSAVG: 3899000 43.9156 -41.5018 -20.9733 -38.8222 -54.7584 17.7319 -22.0754 21.2344 17.793 TIMING: 3899000 CPU: 11593.7, 0.00295241/step Wall: 11593.7, 0.00295241/step, 0.902944 hours remaining, 206.027344 MB of memory in use. ENERGY: 3899000 750.2747 2143.5745 1902.0117 111.4684 -205947.5055 17556.2398 0.0000 0.0000 34214.2490 -149269.6873 298.8015 -183483.9364 -149181.1867 299.4827 -214.6334 -179.8679 558033.1739 2.4618 2.3167 PRESSURE: 3899200 -100.169 -130.532 -124.311 -130.532 61.4984 -150.153 -124.31 -150.154 -72.0581 GPRESSURE: 3899200 -84.3571 -107.188 -99.3359 -121.742 102.247 -135.274 -212.134 -109.873 -17.7903 PRESSAVG: 3899200 31.6742 -83.676 2.86799 -83.676 -52.9713 13.2506 2.868 13.2507 46.1679 GPRESSAVG: 3899200 30.8603 -83.0481 2.5519 -83.8243 -52.3593 11.6345 2.49161 11.5443 45.9612 TIMING: 3899200 CPU: 11594.3, 0.00296969/step Wall: 11594.3, 0.00296969/step, 0.908064 hours remaining, 206.027344 MB of memory in use. ENERGY: 3899200 753.5660 2111.4289 1901.1024 108.5226 -206152.5735 17851.8378 0.0000 0.0000 34250.4341 -149175.6817 299.1176 -183426.1158 -149075.0559 299.4321 -36.9095 0.0333 556841.7023 8.2903 8.1541 PRESSURE: 3899400 86.5505 -157.581 44.4027 -157.581 257.559 -53.082 44.4023 -53.0837 -59.9561 GPRESSURE: 3899400 90.871 -192.619 56.6869 -144.069 334.074 -67.0332 149.22 -99.6294 -54.0868 PRESSAVG: 3899400 31.9605 -30.4844 -83.5892 -30.4844 1.76387 6.42072 -83.5892 6.42057 -27.299 GPRESSAVG: 3899400 31.7605 -32.8323 -84.9003 -27.7547 1.26415 8.1486 -82.8688 7.43305 -26.7582 TIMING: 3899400 CPU: 11594.9, 0.00295498/step Wall: 11594.9, 0.00295498/step, 0.903402 hours remaining, 206.027344 MB of memory in use. ENERGY: 3899400 727.0590 2089.5146 1922.4750 118.4723 -206345.9493 17922.1799 0.0000 0.0000 34332.6685 -149233.5799 299.8357 -183566.2484 -149138.5209 299.1680 94.7179 123.6195 557872.4249 2.1418 2.0888 PRESSURE: 3899600 -342.04 130.438 -53.7738 130.437 -136.354 22.6252 -53.7725 22.6262 -48.3345 GPRESSURE: 3899600 -282.853 120.148 -41.0857 206.813 -119.14 -25.9009 -154.323 35.6028 -35.1628 PRESSAVG: 3899600 49.3542 -4.11394 -44.223 -4.11382 -43.0335 -17.8346 -44.223 -17.8347 5.67748 GPRESSAVG: 3899600 49.3096 -1.35213 -42.8258 -4.89644 -42.9376 -16.6775 -43.3756 -18.5185 5.3442 TIMING: 3899600 CPU: 11595.5, 0.00294524/step Wall: 11595.5, 0.00294524/step, 0.900263 hours remaining, 206.027344 MB of memory in use. ENERGY: 3899600 759.7956 2137.2813 1945.8404 108.5631 -206434.1104 17776.7285 0.0000 0.0000 34462.6236 -149243.2780 300.9707 -183705.9016 -149159.4460 299.6201 -175.5759 -145.7185 557913.7388 3.9994 3.9054 PRESSURE: 3899800 8.1721 75.0276 -155.074 75.0282 -114.21 -141.381 -155.073 -141.38 -188.245 GPRESSURE: 3899800 92.2525 110.37 -96.4459 -29.322 -104.77 -134.295 -140.035 -174.64 -176.919 PRESSAVG: 3899800 32.1662 29.7836 -50.7853 29.7836 -40.1979 -7.93266 -50.7853 -7.93278 35.0936 GPRESSAVG: 3899800 32.8556 29.2059 -51.3637 28.0217 -40.2778 -8.19589 -51.711 -8.10717 34.0723 TIMING: 3899800 CPU: 11596, 0.00295441/step Wall: 11596, 0.00295441/step, 0.9029 hours remaining, 206.027344 MB of memory in use. ENERGY: 3899800 751.7306 2204.4414 1918.1517 105.9069 -206299.9835 17734.0406 0.0000 0.0000 34354.7557 -149230.9565 300.0286 -183585.7122 -149134.6224 300.0244 -98.0943 -63.1455 558122.4039 9.0206 8.8834 PRESSURE: 3900000 -89.8995 -50.8162 -56.9413 -50.8166 151.785 -9.30687 -56.941 -9.30562 259.577 GPRESSURE: 3900000 -77.746 -108.661 -77.8879 -6.65115 215.106 -78.7417 68.1292 -13.486 267.053 PRESSAVG: 3900000 75.0318 -1.94279 -29.5059 -1.94283 -4.84011 -19.789 -29.5058 -19.7889 -42.7426 GPRESSAVG: 3900000 74.6418 -1.84263 -27.1662 -1.11507 -5.369 -20.3899 -29.8521 -20.5639 -42.0049 TIMING: 3900000 CPU: 11596.6, 0.00296363/step Wall: 11596.6, 0.00296363/step, 0.905554 hours remaining, 206.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3900000 783.5192 2109.6876 1885.0799 109.3455 -206516.2892 17955.0160 0.0000 0.0000 34285.5080 -149388.1330 299.4239 -183673.6410 -149289.7888 299.2683 107.1541 134.8042 557009.9445 9.1497 9.0893 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3900000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 3900000 WRITING COORDINATES TO RESTART FILE AT STEP 3900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3900200 -235.301 -26.9028 -10.9249 -26.9038 -118.85 34.2238 -10.926 34.2236 -129.654 GPRESSURE: 3900200 -189.979 -13.8687 -55.2683 -8.76047 -102.854 -16.4463 -12.4801 59.8702 -85.08 PRESSAVG: 3900200 -0.644432 12.2933 14.0537 12.2934 2.44388 12.8134 14.0537 12.8134 -10.753 GPRESSAVG: 3900200 0.164609 11.8963 11.9223 12.7015 2.53639 12.5572 15.0737 13.3129 -11.5331 TIMING: 3900200 CPU: 11597.2, 0.00304332/step Wall: 11597.2, 0.00304332/step, 0.929734 hours remaining, 206.027344 MB of memory in use. ENERGY: 3900200 778.2074 2214.1011 1913.0895 112.5053 -206313.8272 17635.7643 0.0000 0.0000 34173.7433 -149486.4163 298.4478 -183660.1596 -149395.2974 299.3732 -161.2682 -125.9710 556440.4257 -2.9845 -2.9440 LDB: ============= START OF LOAD BALANCING ============== 11600.8 LDB: ============== END OF LOAD BALANCING =============== 11600.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11600.8 LDB: ============= START OF LOAD BALANCING ============== 11601.1 LDB: Largest compute 4802 load 0.022037 is 18.6% of average load 0.118230 LDB: Average compute 0.001739 is 1.5% of average load 0.118230 LDB: TIME 11601.1 LOAD: AVG 0.11823 MAX 0.197046 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.82 MB LDB: TIME 11601.1 LOAD: AVG 0.11823 MAX 0.197046 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.82 MB LDB: TIME 11601.1 LOAD: AVG 0.11823 MAX 0.197046 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.82 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11601.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11601.1 PRESSURE: 3900400 169.439 160.56 -84.9133 160.56 -19.9334 -34.2568 -84.9139 -34.2572 -217.934 GPRESSURE: 3900400 171.408 227.353 -43.4034 111.551 -0.226451 -22.7838 -75.2922 -29.2549 -145.12 PRESSAVG: 3900400 55.0664 -9.32679 19.4015 -9.32678 -21.7888 36.1626 19.4015 36.1625 -14.9806 GPRESSAVG: 3900400 54.3788 -8.36489 20.6375 -10.2112 -21.4957 37.4409 19.4028 35.8815 -14.9789 TIMING: 3900400 CPU: 11597.8, 0.00298757/step Wall: 11597.8, 0.00298757/step, 0.912537 hours remaining, 207.371094 MB of memory in use. ENERGY: 3900400 772.0982 2112.5869 1930.7531 115.5179 -206689.2449 17930.9907 0.0000 0.0000 34210.1921 -149617.1059 298.7661 -183827.2980 -149517.6261 298.6885 -22.8094 8.6872 555766.3877 6.0990 5.9680 PRESSURE: 3900600 -146.548 -74.6493 48.6123 -74.6484 -26.4547 -53.711 48.613 -53.7112 -39.6547 GPRESSURE: 3900600 -128.414 -88.7893 -28.3785 -32.5403 -2.01151 -16.6622 87.9318 -29.5066 0.33473 PRESSAVG: 3900600 8.38318 14.7389 16.781 14.7389 -3.37252 -1.01892 16.781 -1.0188 -15.5555 GPRESSAVG: 3900600 9.80764 13.3964 16.6795 15.703 -4.09457 -1.24863 15.84 0.584089 -16.2614 TIMING: 3900600 CPU: 11598.4, 0.00294092/step Wall: 11598.4, 0.00294092/step, 0.898125 hours remaining, 207.371094 MB of memory in use. ENERGY: 3900600 777.7084 2049.5422 1909.2578 118.6073 -206427.0282 17811.8455 0.0000 0.0000 34212.9415 -149547.1255 298.7901 -183760.0670 -149446.2421 298.6275 -70.8857 -43.3635 557524.4277 -3.5149 -3.5161 PRESSURE: 3900800 -83.0573 116.517 210.516 116.516 24.9874 -90.7286 210.517 -90.7263 128.469 GPRESSURE: 3900800 -8.21415 207.365 197.497 60.4688 75.7545 -41.645 224.744 -92.9633 106.247 PRESSAVG: 3900800 -24.9134 15.6197 59.9816 15.6196 66.7574 -29.7764 59.9817 -29.7764 -39.2394 GPRESSAVG: 3900800 -26.5519 15.5011 61.5187 15.7706 67.7065 -31.3988 58.3157 -27.8255 -38.4081 TIMING: 3900800 CPU: 11599, 0.00292712/step Wall: 11599, 0.00292712/step, 0.893747 hours remaining, 207.371094 MB of memory in use. ENERGY: 3900800 739.6892 2100.8806 1886.3264 111.0980 -206132.8749 17690.8955 0.0000 0.0000 34182.6452 -149421.3401 298.5255 -183603.9852 -149322.3726 298.8324 23.4662 57.9291 555254.1301 0.8682 0.9155 PRESSURE: 3901000 -176.5 114.811 15.4986 114.809 104.278 -30.1753 15.4984 -30.1755 -305.312 GPRESSURE: 3901000 -107.932 80.7303 -56.8304 162.289 139.565 -16.0162 27.3643 47.3675 -313.228 PRESSAVG: 3901000 -5.43288 53.9668 -16.6831 53.9668 27.0183 -10.8566 -16.6831 -10.8567 -18.0844 GPRESSAVG: 3901000 -4.65608 54.3399 -19.2099 55.005 25.5277 -9.69569 -14.5325 -14.5253 -17.3697 TIMING: 3901000 CPU: 11599.6, 0.0029458/step Wall: 11599.6, 0.0029458/step, 0.899288 hours remaining, 207.371094 MB of memory in use. ENERGY: 3901000 750.0012 2060.0292 1937.6655 120.7263 -206090.7041 17504.1134 0.0000 0.0000 34268.1828 -149449.9858 299.2726 -183718.1685 -149352.6506 298.9994 -125.8447 -93.8649 556539.4789 1.1670 1.1673 PRESSURE: 3901200 230.233 -40.1741 -24.6218 -40.1738 542.161 78.7581 -24.6218 78.7574 51.4722 GPRESSURE: 3901200 262.018 35.5025 -3.01457 -11.6689 624.711 62.6066 -39.5715 31.3115 39.7531 PRESSAVG: 3901200 -56.9905 28.1471 5.14734 28.1472 97.3842 -7.15816 5.14729 -7.15807 -14.0067 GPRESSAVG: 3901200 -56.9248 28.0385 5.99981 27.527 98.6218 -7.65497 4.99397 -6.12683 -15.5841 TIMING: 3901200 CPU: 11600.2, 0.00291886/step Wall: 11600.2, 0.00291886/step, 0.890901 hours remaining, 207.371094 MB of memory in use. ENERGY: 3901200 734.0593 2115.8279 1933.3067 113.3876 -206626.8230 18157.1714 0.0000 0.0000 34210.8055 -149362.2647 298.7715 -183573.0702 -149264.6779 299.0252 274.6222 308.8275 556620.1116 8.7956 8.7043 PRESSURE: 3901400 44.303 65.9264 115.135 65.9253 -9.6684 -4.44638 115.135 -4.44572 4.66872 GPRESSURE: 3901400 48.5137 -33.5344 225.514 28.9503 48.5286 13.7667 25.565 -18.5188 38.8742 PRESSAVG: 3901400 -31.7269 -0.232941 89.6491 -0.232994 0.132153 3.82948 89.649 3.82948 21.6641 GPRESSAVG: 3901400 -30.5251 -2.04574 87.0025 -2.20476 -0.74887 2.33994 92.5373 3.3236 20.9556 TIMING: 3901400 CPU: 11600.8, 0.00295008/step Wall: 11600.8, 0.00295008/step, 0.900266 hours remaining, 207.371094 MB of memory in use. ENERGY: 3901400 761.8791 2123.7929 1914.7887 114.4888 -206253.8759 17827.3776 0.0000 0.0000 34245.2869 -149266.2620 299.0726 -183511.5489 -149171.3593 299.3225 13.1011 45.3055 557129.6555 -3.3102 -3.4395 PRESSURE: 3901600 -82.6632 -193.095 53.9816 -193.095 81.6269 82.889 53.9816 82.8899 -114.768 GPRESSURE: 3901600 -78.8541 -194.711 44.1794 -168.901 64.9392 127.481 83.452 33.8657 -5.31944 PRESSAVG: 3901600 48.3495 2.87678 84.3841 2.87679 -19.3813 53.6576 84.3842 53.6575 3.44271 GPRESSAVG: 3901600 46.6652 5.04747 87.9926 3.80954 -18.6359 54.1041 82.8434 51.5811 4.38444 TIMING: 3901600 CPU: 11601.4, 0.00294194/step Wall: 11601.4, 0.00294194/step, 0.897618 hours remaining, 207.371094 MB of memory in use. ENERGY: 3901600 773.0162 2102.6317 1919.3370 127.1642 -206394.5965 17855.5260 0.0000 0.0000 34227.8973 -149389.0240 298.9207 -183616.9214 -149292.3677 298.7977 -38.6013 -6.4114 556849.9470 10.8036 10.8046 PRESSURE: 3901800 308.679 -43.2247 166.817 -43.2254 -95.6189 20.57 166.817 20.5707 23.3312 GPRESSURE: 3901800 285.69 -24.7747 206.935 10.5436 -19.4452 35.6961 125.879 -50.9257 77.3318 PRESSAVG: 3901800 82.3048 -54.0958 35.1786 -54.0957 13.9514 12.2487 35.1787 12.2487 -69.0645 GPRESSAVG: 3901800 82.7632 -56.1646 32.673 -50.8414 14.2151 12.0945 34.1795 14.8808 -69.348 TIMING: 3901800 CPU: 11602, 0.00295228/step Wall: 11602, 0.00295228/step, 0.900611 hours remaining, 207.371094 MB of memory in use. ENERGY: 3901800 734.5414 2176.9162 1904.1879 116.1646 -206354.3721 17874.3689 0.0000 0.0000 34289.5554 -149258.6378 299.4592 -183548.1932 -149157.8362 298.9748 78.7970 114.5255 556789.0377 9.0639 9.2101 PRESSURE: 3902000 196.414 -58.5129 36.8943 -58.5135 -61.8604 128.898 36.8939 128.897 -119.331 GPRESSURE: 3902000 140.391 -24.6829 -1.30764 -90.0704 15.9207 178.705 120.355 81.2115 -29.42 PRESSAVG: 3902000 -61.9918 -28.523 33.7288 -28.523 35.2932 17.9607 33.7288 17.9606 68.2416 GPRESSAVG: 3902000 -61.5375 -24.938 35.2765 -31.7043 34.7544 19.0794 32.4906 16.8581 68.7275 TIMING: 3902000 CPU: 11602.5, 0.00292955/step Wall: 11602.5, 0.00292955/step, 0.893512 hours remaining, 207.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3902000 717.9887 2121.7158 1892.8345 116.5371 -206120.3321 17776.0497 0.0000 0.0000 34231.4694 -149263.7370 298.9519 -183495.2063 -149175.8218 299.3592 5.0743 42.2973 557481.2390 13.8477 13.9815 PRESSURE: 3902200 4.99173 8.19166 -70.6121 8.19155 -137.355 -125.591 -70.6129 -125.591 -124.592 GPRESSURE: 3902200 35.5484 209.838 -39.5407 -40.3883 -71.6261 -94.0587 -166.249 -35.7413 -132.23 PRESSAVG: 3902200 -33.2171 -12.8182 -7.70544 -12.8181 4.27495 -26.3807 -7.70538 -26.3808 34.1871 GPRESSAVG: 3902200 -32.4858 -12.8288 -8.54904 -12.7893 3.55263 -26.3758 -4.33982 -25.0843 34.2077 TIMING: 3902200 CPU: 11603.1, 0.00291299/step Wall: 11603.1, 0.00291299/step, 0.8883 hours remaining, 207.371094 MB of memory in use. ENERGY: 3902200 738.7144 2170.9661 1891.9081 114.5560 -205999.2263 17572.0525 0.0000 0.0000 34378.2132 -149132.8159 300.2335 -183511.0291 -149032.5894 299.6022 -85.6518 -56.1026 558161.4710 1.7483 1.7582 PRESSURE: 3902400 -412.17 -29.6235 142.829 -29.6228 -374.605 -177.44 142.829 -177.441 -353.221 GPRESSURE: 3902400 -433.096 -99.6232 79.8977 -51.1286 -292.713 -181.849 177.914 -243.145 -307.548 PRESSAVG: 3902400 -4.80626 19.7929 -21.7459 19.7929 -3.39272 36.9935 -21.7458 36.9935 16.5086 GPRESSAVG: 3902400 -4.91674 20.6725 -19.6903 19.8462 -3.073 37.2011 -23.2114 37.0375 16.5954 TIMING: 3902400 CPU: 11603.7, 0.00293808/step Wall: 11603.7, 0.00293808/step, 0.895788 hours remaining, 207.371094 MB of memory in use. ENERGY: 3902400 778.1098 2130.7383 1953.3542 111.9335 -205850.6271 17392.2330 0.0000 0.0000 34383.5337 -149100.7244 300.2800 -183484.2581 -149010.9834 299.4817 -379.9987 -344.4523 557914.3443 2.7699 2.8686 PRESSURE: 3902600 -365.768 60.3639 -1.20926 60.3635 -188.788 -67.0903 -1.20887 -67.0911 -171.733 GPRESSURE: 3902600 -341.51 8.21337 88.6472 45.7955 -121.679 -65.2484 -20.4486 36.136 -170.958 PRESSAVG: 3902600 -65.5205 -56.6984 -45.7553 -56.6984 30.52 35.8762 -45.7554 35.8762 29.5767 GPRESSAVG: 3902600 -67.3996 -58.8114 -46.6515 -56.1865 30.2731 33.8296 -46.1131 37.2432 31.3278 TIMING: 3902600 CPU: 11604.3, 0.00293144/step Wall: 11604.3, 0.00293144/step, 0.8936 hours remaining, 207.371094 MB of memory in use. ENERGY: 3902600 744.1309 2097.8718 1920.6470 106.9461 -205531.2107 17424.8191 0.0000 0.0000 34023.9138 -149212.8821 297.1393 -183236.7959 -149115.7821 299.7016 -242.0965 -211.3823 558733.6732 -1.8079 -1.9329 PRESSURE: 3902800 443.549 169.073 139.157 169.071 5.711 107.884 139.158 107.884 -91.9204 GPRESSURE: 3902800 463.53 181.879 151.315 165.081 64.5325 133.879 171.861 101.761 -79.3692 PRESSAVG: 3902800 34.8647 -5.02558 3.6927 -5.02556 -60.9204 5.10343 3.69267 5.10349 3.8853 GPRESSAVG: 3902800 36.1657 -3.48686 1.59355 -6.28923 -60.5068 8.47315 5.27201 2.54877 2.05853 TIMING: 3902800 CPU: 11604.9, 0.00292885/step Wall: 11604.9, 0.00292885/step, 0.892649 hours remaining, 207.371094 MB of memory in use. ENERGY: 3902800 721.7771 2112.0657 1912.8232 119.6007 -205834.8852 17804.8052 0.0000 0.0000 34015.5126 -149148.3008 297.0659 -183163.8134 -149055.8890 298.9343 119.1131 149.5644 557092.3156 -7.3901 -7.4275 PRESSURE: 3903000 -228.537 105.239 54.4858 105.238 -99.9571 32.5341 54.4855 32.5352 56.9847 GPRESSURE: 3903000 -196.882 165.926 55.0777 31.9689 -59.7061 -72.7518 97.6583 162.785 71.3437 PRESSAVG: 3903000 -29.02 39.5183 -14.3315 39.5182 -18.6649 32.2326 -14.3315 32.2326 88.792 GPRESSAVG: 3903000 -28.8157 39.055 -13.067 39.1776 -18.0793 30.6295 -16.267 33.2206 88.694 TIMING: 3903000 CPU: 11605.5, 0.00294444/step Wall: 11605.5, 0.00294444/step, 0.897237 hours remaining, 207.371094 MB of memory in use. ENERGY: 3903000 716.7858 2096.0978 1910.1290 118.0786 -205937.5340 17585.0501 0.0000 0.0000 34457.4638 -149053.9288 300.9256 -183511.3927 -148956.6508 299.5383 -90.5031 -61.7481 557549.5831 13.7024 13.9330 PRESSURE: 3903200 -329.911 -22.8205 112.842 -22.8212 19.2462 -65.754 112.841 -65.7547 -39.6087 GPRESSURE: 3903200 -254.159 -78.7128 107.126 56.2681 30.8335 -108.467 51.8676 -75.8013 -24.4304 PRESSAVG: 3903200 -34.9761 62.9537 -23.4663 62.9537 40.4979 13.9549 -23.4662 13.9548 8.81493 GPRESSAVG: 3903200 -33.6476 61.2988 -24.5467 66.0108 39.3097 14.9766 -23.8571 15.8745 9.08893 TIMING: 3903200 CPU: 11606.1, 0.00291415/step Wall: 11606.1, 0.00291415/step, 0.887844 hours remaining, 207.371094 MB of memory in use. ENERGY: 3903200 722.0821 2128.0067 1927.5021 122.8352 -205906.1991 17587.1581 0.0000 0.0000 34351.3318 -149067.2831 299.9987 -183418.6149 -148973.2406 299.8954 -116.7577 -82.5852 557136.7474 4.7789 4.9170 PRESSURE: 3903400 -342.44 77.4762 29.6112 77.4757 32.5387 -82.3223 29.6118 -82.3228 110.159 GPRESSURE: 3903400 -261.969 101.716 108.476 71.6765 15.6899 -92.3077 4.90887 -70.2475 137.239 PRESSAVG: 3903400 -65.3073 17.4116 1.95132 17.4116 52.1804 18.152 1.95128 18.1519 30.1675 GPRESSAVG: 3903400 -66.9403 17.6782 2.15133 17.9681 52.8671 18.2151 3.59332 16.6896 30.4998 TIMING: 3903400 CPU: 11606.6, 0.00289923/step Wall: 11606.6, 0.00289923/step, 0.883138 hours remaining, 207.371094 MB of memory in use. ENERGY: 3903400 724.7347 2050.1126 1928.4130 117.2465 -205763.2785 17597.9434 0.0000 0.0000 34268.0433 -149076.7850 299.2713 -183344.8283 -148981.0770 300.2266 -66.5808 -36.3466 557539.9237 5.6802 5.4756 PRESSURE: 3903600 -235.711 -142.469 -150.81 -142.468 -302.168 67.1467 -150.81 67.147 -290.2 GPRESSURE: 3903600 -203.023 -185.569 -60.8728 -81.5379 -263.469 85.3842 -154.424 -7.30615 -257.324 PRESSAVG: 3903600 -2.567 3.69026 -23.2316 3.69027 25.9538 0.662022 -23.2316 0.662045 -58.4602 GPRESSAVG: 3903600 -3.37827 4.75619 -22.3936 2.76243 25.8863 -0.147366 -22.2661 -0.370927 -56.8895 TIMING: 3903600 CPU: 11607.2, 0.00292154/step Wall: 11607.2, 0.00292154/step, 0.889771 hours remaining, 207.371094 MB of memory in use. ENERGY: 3903600 742.4748 2105.1569 1907.7257 106.1168 -205745.7136 17434.2318 0.0000 0.0000 34378.0330 -149071.9746 300.2319 -183450.0075 -148975.6946 300.2783 -276.0265 -241.2721 558629.1134 -11.6911 -11.4605 PRESSURE: 3903800 -334.305 -149.818 -9.08528 -149.819 -45.982 73.2317 -9.08524 73.2306 -105.155 GPRESSURE: 3903800 -290.068 -249.142 50.3465 23.3724 -9.8041 61.4441 -22.2956 54.8396 -82.6311 PRESSAVG: 3903800 36.8842 4.03676 33.1733 4.03675 38.1815 -26.8738 33.1734 -26.8738 -66.4055 GPRESSAVG: 3903800 36.3677 5.07745 30.8388 2.15649 39.7185 -26.9928 30.1152 -26.123 -67.4656 TIMING: 3903800 CPU: 11607.8, 0.00291494/step Wall: 11607.8, 0.00291494/step, 0.887599 hours remaining, 207.371094 MB of memory in use. ENERGY: 3903800 770.5774 2065.9264 1929.6068 116.9664 -205960.4002 17516.5592 0.0000 0.0000 34409.5871 -149151.1769 300.5075 -183560.7640 -149050.1196 299.8046 -161.8141 -127.5010 558040.7279 2.8867 2.8735 PRESSURE: 3904000 -39.4161 33.4599 -4.0021 33.4603 -142.359 74.1513 -4.00378 74.1508 -46.2072 GPRESSURE: 3904000 -9.2395 28.1877 1.7737 -27.1788 -78.8607 63.2036 22.429 130.509 -45.129 PRESSAVG: 3904000 29.4783 16.2265 -31.2234 16.2265 14.9364 42.2459 -31.2234 42.2459 -31.0945 GPRESSAVG: 3904000 30.6371 14.2164 -27.709 17.844 13.2679 44.2668 -31.7269 41.4393 -31.1032 TIMING: 3904000 CPU: 11608.4, 0.002939/step Wall: 11608.4, 0.002939/step, 0.894762 hours remaining, 207.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3904000 722.0443 2120.2961 1930.8561 120.9979 -206189.8882 17717.4060 0.0000 0.0000 34261.7245 -149316.5633 299.2162 -183578.2879 -149221.7782 299.1578 -75.9942 -44.4097 557073.9202 4.4401 4.2673 PRESSURE: 3904200 149.223 -151.455 20.678 -151.454 16.0925 -155.289 20.6786 -155.288 0.226918 GPRESSURE: 3904200 142.263 -140.003 41.8975 -143.262 47.4669 -124.889 16.9552 -148.349 69.5571 PRESSAVG: 3904200 16.2034 -30.8082 -27.7258 -30.8082 -1.76387 37.6769 -27.7257 37.6769 -58.2326 GPRESSAVG: 3904200 16.4084 -32.7231 -29.3982 -30.2607 -2.34075 34.8382 -26.7535 37.5412 -57.7821 TIMING: 3904200 CPU: 11609, 0.0029412/step Wall: 11609, 0.0029412/step, 0.89527 hours remaining, 207.371094 MB of memory in use. ENERGY: 3904200 734.1732 2092.5127 1953.2842 112.8571 -206354.8462 17865.7143 0.0000 0.0000 34290.3783 -149305.9263 299.4664 -183596.3047 -149214.7661 299.0960 55.1806 86.4290 557466.3818 -14.5977 -14.5715 LDB: ============= START OF LOAD BALANCING ============== 11612.5 LDB: ============== END OF LOAD BALANCING =============== 11612.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11612.5 LDB: ============= START OF LOAD BALANCING ============== 11612.8 LDB: Largest compute 4809 load 0.021607 is 18.3% of average load 0.118288 LDB: Average compute 0.001738 is 1.5% of average load 0.118288 LDB: TIME 11612.8 LOAD: AVG 0.118288 MAX 0.193834 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.035 MB LDB: TIME 11612.8 LOAD: AVG 0.118288 MAX 0.193834 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.039 MB LDB: TIME 11612.8 LOAD: AVG 0.118288 MAX 0.193834 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11612.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11612.8 PRESSURE: 3904400 170.296 129.517 150.664 129.517 -237.774 -125.993 150.664 -125.993 -169.837 GPRESSURE: 3904400 174.985 23.4323 36.0004 210.306 -189.335 -61.4581 178.554 -122.437 -144.782 PRESSAVG: 3904400 66.037 3.82707 -7.0201 3.82699 22.3245 19.5639 -7.02006 19.5638 -71.3218 GPRESSAVG: 3904400 66.1007 7.0463 -7.94315 2.34605 22.6995 20.1421 -4.0044 19.6284 -71.4398 TIMING: 3904400 CPU: 11609.6, 0.00297671/step Wall: 11609.6, 0.00297671/step, 0.905913 hours remaining, 208.519531 MB of memory in use. ENERGY: 3904400 726.1158 2153.6698 1901.5620 121.6719 -206116.2944 17689.6058 0.0000 0.0000 34304.3637 -149219.3054 299.5885 -183523.6691 -149119.2602 299.0176 -79.1050 -53.0440 556807.2015 5.6799 5.7868 PRESSURE: 3904600 153.014 -66.99 134.869 -66.9891 -54.8581 35.6808 134.868 35.6833 87.308 GPRESSURE: 3904600 161.604 -106.053 200.466 -27.2577 -22.9127 62.8123 99.8115 47.873 136.822 PRESSAVG: 3904600 -23.3518 -26.4458 114.324 -26.4458 56.0378 -38.7548 114.324 -38.7547 -34.4058 GPRESSAVG: 3904600 -22.962 -27.6516 115.95 -24.4301 55.3504 -37.8795 112.656 -39.7979 -34.0162 TIMING: 3904600 CPU: 11610.2, 0.00292376/step Wall: 11610.2, 0.00292376/step, 0.889636 hours remaining, 208.980469 MB of memory in use. ENERGY: 3904600 763.8277 2141.8141 1946.8572 119.5003 -206405.6602 17835.3312 0.0000 0.0000 34482.4508 -149115.8790 301.1438 -183598.3297 -149024.5696 299.4913 61.8214 91.8379 556062.4525 -0.5733 -0.5426 PRESSURE: 3904800 -222.439 -56.3352 -95.1503 -56.3354 -317.235 -81.6799 -95.15 -81.6804 -64.6147 GPRESSURE: 3904800 -149.912 -129.274 -78.7967 46.4021 -337.867 -201.466 -110.672 -87.4517 -31.4618 PRESSAVG: 3904800 -54.0706 35.7062 66.9593 35.7063 42.7803 -10.2376 66.9592 -10.2377 45.5409 GPRESSAVG: 3904800 -53.2083 34.2226 66.9758 34.6891 43.2881 -11.1327 66.2725 -7.48274 44.0153 TIMING: 3904800 CPU: 11610.8, 0.00292208/step Wall: 11610.8, 0.00292208/step, 0.888962 hours remaining, 208.980469 MB of memory in use. ENERGY: 3904800 749.1649 2087.7188 1939.1948 106.8116 -206142.1415 17537.4173 0.0000 0.0000 34506.3726 -149215.4615 301.3527 -183721.8341 -149111.5366 300.0814 -201.4295 -173.0804 556918.1789 11.4168 11.3650 PRESSURE: 3905000 165.979 -161.979 -36.0623 -161.979 210.614 -120.438 -36.0611 -120.438 -41.0754 GPRESSURE: 3905000 214.443 -178.126 -58.2965 -127.844 205.89 -92.7349 -0.211972 -156.207 16.8541 PRESSAVG: 3905000 26.9508 -35.833 -22.8571 -35.833 -25.1037 -21.1352 -22.857 -21.1351 8.29802 GPRESSAVG: 3905000 25.2316 -34.0674 -23.3984 -37.2867 -25.1803 -21.693 -23.1493 -22.8625 9.68026 TIMING: 3905000 CPU: 11611.3, 0.0029345/step Wall: 11611.3, 0.0029345/step, 0.892577 hours remaining, 208.980469 MB of memory in use. ENERGY: 3905000 735.5269 2090.3032 1939.2733 107.9850 -206564.0095 18000.5885 0.0000 0.0000 34407.9342 -149282.3983 300.4930 -183690.3325 -149181.3288 299.7020 111.8394 145.7290 557361.2186 3.3817 3.2438 PRESSURE: 3905200 -79.8426 -166.534 -63.5521 -166.534 -210.021 -153.77 -63.551 -153.772 -144.913 GPRESSURE: 3905200 -1.40917 -83.7405 -64.0325 -180.541 -184.069 -166.043 -74.3491 -127.569 -155.62 PRESSAVG: 3905200 29.1411 -22.5808 -3.22092 -22.5808 61.3621 -17.8697 -3.22086 -17.8697 -67.1023 GPRESSAVG: 3905200 29.8553 -22.4025 -4.051 -22.7123 61.5986 -18.1917 -3.29921 -15.5902 -67.9532 TIMING: 3905200 CPU: 11611.9, 0.00292714/step Wall: 11611.9, 0.00292714/step, 0.890177 hours remaining, 208.980469 MB of memory in use. ENERGY: 3905200 759.3605 2113.8746 1922.3117 118.6750 -206227.6523 17591.9494 0.0000 0.0000 34295.0180 -149426.4631 299.5069 -183721.4811 -149338.2933 298.9236 -144.9257 -113.6993 557123.9236 7.8003 7.8336 PRESSURE: 3905400 56.9848 -162.397 -35.7051 -162.398 71.1713 23.2057 -35.705 23.2051 206.398 GPRESSURE: 3905400 65.2293 -182.752 -106.794 -127.827 129.798 47.7097 -60.0151 -44.0881 251.96 PRESSAVG: 3905400 26.242 3.26821 6.49273 3.2682 -33.1838 13.2923 6.49269 13.2923 27.9953 GPRESSAVG: 3905400 25.8342 2.35285 5.60333 4.26916 -33.9163 15.1882 5.93419 12.82 28.8733 TIMING: 3905400 CPU: 11612.5, 0.00294252/step Wall: 11612.5, 0.00294252/step, 0.894689 hours remaining, 208.980469 MB of memory in use. ENERGY: 3905400 760.7071 2049.5554 1944.3547 127.4979 -206359.1963 18013.4062 0.0000 0.0000 34196.2505 -149267.4246 298.6444 -183463.6751 -149167.4747 298.6583 111.5182 148.9958 558789.0300 7.0178 6.9304 PRESSURE: 3905600 -237.593 -60.1287 -74.8321 -60.1286 -347.5 34.2808 -74.8312 34.2822 -314.709 GPRESSURE: 3905600 -223.535 -64.3789 -86.5463 -10.5448 -322.145 31.8452 -97.4581 -5.14308 -256.928 PRESSAVG: 3905600 -17.3667 30.4581 -10.5457 30.4582 100.117 16.2771 -10.5458 16.277 -43.6188 GPRESSAVG: 3905600 -16.2834 32.6564 -8.66904 29.9149 99.9529 15.9397 -9.17237 14.751 -44.6329 TIMING: 3905600 CPU: 11613.1, 0.00293273/step Wall: 11613.1, 0.00293273/step, 0.891551 hours remaining, 208.980469 MB of memory in use. ENERGY: 3905600 746.9745 2067.7071 1980.2142 123.6592 -205791.5944 17413.7530 0.0000 0.0000 34267.0797 -149192.2067 299.2629 -183459.2864 -149091.0694 299.4039 -299.9339 -267.5359 558368.9316 13.0439 13.0122 PRESSURE: 3905800 -218.453 -4.20956 18.4578 -4.20944 -165.581 -84.3941 18.4573 -84.3955 -172.781 GPRESSURE: 3905800 -214.721 -12.3491 63.8659 61.8895 -101.203 33.7263 11.747 -34.371 -149.159 PRESSAVG: 3905800 62.1431 18.2006 -37.9289 18.2007 51.7937 31.0862 -37.929 31.0861 -44.0412 GPRESSAVG: 3905800 61.311 17.0912 -39.8669 19.1213 51.7439 31.6106 -39.3107 32.2646 -43.2458 TIMING: 3905800 CPU: 11613.7, 0.00292479/step Wall: 11613.7, 0.00292479/step, 0.888973 hours remaining, 208.980469 MB of memory in use. ENERGY: 3905800 756.3104 2101.6450 1934.1405 132.5588 -206073.0368 17581.8389 0.0000 0.0000 34302.9351 -149263.6080 299.5761 -183566.5431 -149171.4279 299.2900 -185.6052 -155.0274 557830.9358 23.2985 23.2697 PRESSURE: 3906000 -139.813 -48.9253 48.1039 -48.9241 186.98 3.44966 48.1046 3.451 26.2832 GPRESSURE: 3906000 -104.349 29.2451 124.229 -197.324 162.094 -26.7737 86.827 -19.9457 110.108 PRESSAVG: 3906000 -51.8342 -1.19018 -10.3766 -1.19019 -29.0968 8.29498 -10.3766 8.29495 36.5063 GPRESSAVG: 3906000 -52.8202 -1.20613 -9.88888 -4.50483 -28.787 7.73569 -9.75752 7.56825 36.2125 TIMING: 3906000 CPU: 11614.3, 0.00292818/step Wall: 11614.3, 0.00292818/step, 0.889842 hours remaining, 208.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3906000 789.7868 2126.2806 1938.6668 102.4342 -206498.4231 18012.9399 0.0000 0.0000 34237.8610 -149290.4537 299.0078 -183528.3147 -149192.8748 299.0787 24.4835 55.9510 559205.0270 -14.8082 -15.1316 PRESSURE: 3906200 -48.8761 -50.7872 61.9229 -50.7889 1.19118 18.2585 61.9233 18.2596 -182.003 GPRESSURE: 3906200 4.74438 53.7144 -28.0837 -168.872 39.101 -12.2475 88.6628 29.9792 -184.306 PRESSAVG: 3906200 34.8359 33.5576 -52.1711 33.5577 -65.007 -16.8444 -52.1712 -16.8444 17.9739 GPRESSAVG: 3906200 34.4692 32.028 -52.111 35.6067 -63.5068 -16.7213 -52.7552 -18.5859 16.8402 TIMING: 3906200 CPU: 11614.9, 0.00295214/step Wall: 11614.9, 0.00295214/step, 0.896958 hours remaining, 208.980469 MB of memory in use. ENERGY: 3906200 766.6235 2127.3089 1943.1309 111.8063 -206364.5027 17816.7199 0.0000 0.0000 34376.8586 -149222.0546 300.2217 -183598.9131 -149121.1133 299.3066 -76.5626 -46.8201 559165.7521 -4.0657 -4.0658 PRESSURE: 3906400 -249.98 108.203 158.759 108.203 -1.29231 12.0091 158.759 12.009 16.6598 GPRESSURE: 3906400 -186.534 134.443 160.869 20.1896 14.2075 -68.5215 139.6 54.3078 35.0689 PRESSAVG: 3906400 7.99892 30.0906 6.01145 30.0906 18.7469 5.31742 6.01141 5.31751 10.2443 GPRESSAVG: 3906400 8.74714 31.675 5.36154 28.6816 17.1228 4.87896 8.9517 7.97905 11.1911 TIMING: 3906400 CPU: 11615.4, 0.00291101/step Wall: 11615.4, 0.00291101/step, 0.884301 hours remaining, 208.980469 MB of memory in use. ENERGY: 3906400 762.2012 2134.2615 1910.9039 117.7011 -205847.5545 17612.1304 0.0000 0.0000 34238.0452 -149072.3112 299.0094 -183310.3564 -148980.7396 300.0947 -78.2041 -45.7527 558988.8074 12.3300 12.3537 PRESSURE: 3906600 -138.691 126.417 -27.9151 126.416 99.1108 -10.6482 -27.9159 -10.6496 255.33 GPRESSURE: 3906600 -89.1723 208.934 -10.5589 4.748 137.495 63.3841 -112.135 72.6027 269.849 PRESSAVG: 3906600 -37.2138 79.0004 -24.547 79.0003 -20.3406 17.4777 -24.5469 17.4778 52.3728 GPRESSAVG: 3906600 -37.7124 79.6961 -24.4641 80.5322 -19.595 18.81 -26.3448 17.0053 52.064 TIMING: 3906600 CPU: 11616, 0.00291296/step Wall: 11616, 0.00291296/step, 0.88473 hours remaining, 208.980469 MB of memory in use. ENERGY: 3906600 737.4771 2150.4092 1936.6739 122.1339 -206005.1584 17987.6567 0.0000 0.0000 34041.7881 -149029.0194 297.2954 -183070.8075 -148934.8272 299.2543 71.9165 106.0575 558341.5271 -1.7272 -1.7478 PRESSURE: 3906800 230.9 45.6392 90.7779 45.6386 128.631 -52.8207 90.7778 -52.8195 2.52811 GPRESSURE: 3906800 301.109 -32.3485 90.5591 92.7939 156.91 -71.0249 115.724 -92.7897 -20.2031 PRESSAVG: 3906800 1.15417 1.01939 -11.3895 1.01936 -23.7671 30.8816 -11.3894 30.8815 16.6306 GPRESSAVG: 3906800 2.10527 -0.7939 -10.5843 3.16603 -25.5501 30.4169 -13.2877 30.7582 17.3704 TIMING: 3906800 CPU: 11616.6, 0.00292164/step Wall: 11616.6, 0.00292164/step, 0.887205 hours remaining, 208.980469 MB of memory in use. ENERGY: 3906800 747.0807 2093.4335 1948.0447 102.4910 -206418.4652 18108.0553 0.0000 0.0000 34422.2905 -148997.0695 300.6184 -183419.3600 -148904.2702 299.6159 120.6863 145.9384 559806.2029 -1.9941 -2.0248 PRESSURE: 3907000 110.882 29.331 -9.36736 29.3292 -160.655 41.5711 -9.36769 41.5713 -103.412 GPRESSURE: 3907000 143.609 80.44 -5.60577 -75.4349 -144.469 48.1092 -37.4798 -19.9751 -48.714 PRESSAVG: 3907000 39.9163 -8.47016 -16.0925 -8.47022 -42.3956 8.07096 -16.0926 8.07089 1.83583 GPRESSAVG: 3907000 39.6676 -8.3774 -15.7325 -9.16854 -41.1077 8.66649 -14.8643 6.64319 0.804301 TIMING: 3907000 CPU: 11617.2, 0.00291608/step Wall: 11617.2, 0.00291608/step, 0.885356 hours remaining, 208.980469 MB of memory in use. ENERGY: 3907000 761.2287 2121.4964 1933.0548 124.2490 -206041.6439 17758.0582 0.0000 0.0000 34239.1394 -149104.4175 299.0189 -183343.5569 -149008.7207 299.8835 -51.0619 -16.5245 558216.0932 -0.2145 -0.2120 PRESSURE: 3907200 -9.4842 1.73384 -121.488 1.73391 63.6348 -33.2023 -121.489 -33.2029 173.092 GPRESSURE: 3907200 -24.6764 54.4924 -18.4601 -4.35463 173.801 -40.5654 -132.77 68.4373 182.562 PRESSAVG: 3907200 -25.2294 14.3425 21.4281 14.3424 6.46983 35.9444 21.4279 35.9444 25.3824 GPRESSAVG: 3907200 -26.2765 14.4689 20.4932 14.1276 6.31377 36.7497 20.3595 35.2837 26.2865 TIMING: 3907200 CPU: 11617.8, 0.00295862/step Wall: 11617.8, 0.00295862/step, 0.898106 hours remaining, 208.980469 MB of memory in use. ENERGY: 3907200 737.8803 2100.7492 1931.5940 121.8163 -206182.8330 17961.8913 0.0000 0.0000 34264.2202 -149064.6817 299.2380 -183328.9019 -148978.3309 299.9609 75.7474 110.5624 557792.1943 2.2076 2.1080 PRESSURE: 3907400 -76.6683 188.54 0.567398 188.542 -83.3768 -52.0213 0.566837 -52.0205 -123.871 GPRESSURE: 3907400 -20.2121 116.906 -55.0201 195.638 -16.0331 -61.9099 19.3771 -111.574 -134.568 PRESSAVG: 3907400 17.0621 2.80381 31.6492 2.80373 -23.8609 25.6583 31.6493 25.6583 26.9773 GPRESSAVG: 3907400 16.6666 2.02497 32.0281 1.68294 -22.416 23.693 32.2087 28.0816 26.0505 TIMING: 3907400 CPU: 11618.4, 0.00293723/step Wall: 11618.4, 0.00293723/step, 0.891449 hours remaining, 208.980469 MB of memory in use. ENERGY: 3907400 790.6530 2081.0883 1917.4860 105.7841 -206151.3454 17813.1540 0.0000 0.0000 34288.9171 -149154.2631 299.4536 -183443.1801 -149048.9636 299.6778 -94.6389 -56.9379 557384.7996 6.7261 6.7670 PRESSURE: 3907600 250.119 39.7847 -101.672 39.7843 77.392 158.055 -101.672 158.054 246.908 GPRESSURE: 3907600 296.231 2.77287 -130.392 15.8228 143.775 117.461 -114.646 189.258 227.462 PRESSAVG: 3907600 12.4029 25.3391 -19.4081 25.339 -33.2202 43.4528 -19.4082 43.4528 27.9008 GPRESSAVG: 3907600 12.5432 25.8684 -18.6593 25.3991 -33.7693 43.0902 -19.4253 43.9364 28.2129 TIMING: 3907600 CPU: 11619, 0.00295476/step Wall: 11619, 0.00295476/step, 0.896607 hours remaining, 208.980469 MB of memory in use. ENERGY: 3907600 723.5483 2057.2856 1881.4513 122.3901 -206760.5164 18248.6545 0.0000 0.0000 34528.5817 -149198.6050 301.5467 -183727.1867 -149100.0196 299.2746 191.4730 222.4893 557397.5675 2.3612 2.3289 PRESSURE: 3907800 -151.7 -68.1668 -49.245 -68.1676 119.824 -63.1201 -49.2453 -63.1207 197.186 GPRESSURE: 3907800 -102.554 -98.5217 -14.5252 -129.901 135.767 -38.4242 -87.7518 -22.7655 233.197 PRESSAVG: 3907800 -44.8957 23.9067 -46.1614 23.9067 30.7312 3.68015 -46.1614 3.68009 14.1628 GPRESSAVG: 3907800 -45.4738 25.6799 -48.4853 22.5571 30.8077 4.19824 -45.3785 1.78777 14.3622 TIMING: 3907800 CPU: 11619.5, 0.00294359/step Wall: 11619.5, 0.00294359/step, 0.893051 hours remaining, 208.980469 MB of memory in use. ENERGY: 3907800 764.7230 2125.4471 1895.6722 115.6448 -206443.4936 17906.3007 0.0000 0.0000 34404.0554 -149231.6504 300.4592 -183635.7058 -149138.4188 299.7402 55.1035 88.8036 557418.4373 -0.0006 -0.1013 PRESSURE: 3908000 117.692 94.4249 158.737 94.4252 -72.2158 23.8774 158.737 23.8756 62.9874 GPRESSURE: 3908000 155.668 44.8385 162.651 135.476 -26.5895 -58.9791 111.156 65.2594 89.8414 PRESSAVG: 3908000 -1.52889 -39.964 -50.2453 -39.9641 -12.2468 10.4921 -50.2453 10.4921 0.239387 GPRESSAVG: 3908000 -0.936949 -40.9854 -46.7543 -38.0293 -12.362 11.243 -52.1899 12.1691 -0.122824 TIMING: 3908000 CPU: 11620.1, 0.00295602/step Wall: 11620.1, 0.00295602/step, 0.89666 hours remaining, 208.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3908000 801.8084 2067.9139 1916.1787 121.9070 -206440.2552 17904.6798 0.0000 0.0000 34333.2898 -149294.4777 299.8412 -183627.7675 -149202.9639 299.3529 36.1546 72.9734 557404.6844 -4.5121 -4.4739 PRESSURE: 3908200 127.63 68.0056 82.7789 68.0069 116.809 53.694 82.7801 53.6937 -163.917 GPRESSURE: 3908200 100.84 0.0552604 25.9811 120.527 144.684 -96.5949 48.4159 50.0046 -77.8521 PRESSAVG: 3908200 9.97693 18.5445 -36.0269 18.5445 93.234 -10.3747 -36.0268 -10.3747 -52.9007 GPRESSAVG: 3908200 10.2729 17.2285 -39.2836 17.7496 91.8934 -11.6369 -34.2296 -10.3692 -51.8492 TIMING: 3908200 CPU: 11620.7, 0.0029571/step Wall: 11620.7, 0.0029571/step, 0.896822 hours remaining, 208.980469 MB of memory in use. ENERGY: 3908200 736.6184 2103.4589 1923.3020 116.6992 -206154.5545 17682.5889 0.0000 0.0000 34235.9593 -149355.9278 298.9911 -183591.8871 -149265.1759 299.1513 26.8406 55.8908 557137.4102 16.7701 16.7724 LDB: ============= START OF LOAD BALANCING ============== 11624.3 LDB: ============== END OF LOAD BALANCING =============== 11624.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11624.3 LDB: ============= START OF LOAD BALANCING ============== 11624.6 LDB: Largest compute 4802 load 0.021183 is 17.9% of average load 0.118285 LDB: Average compute 0.001744 is 1.5% of average load 0.118285 LDB: TIME 11624.6 LOAD: AVG 0.118285 MAX 0.198019 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.727 MB LDB: TIME 11624.6 LOAD: AVG 0.118285 MAX 0.198019 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.727 MB LDB: TIME 11624.6 LOAD: AVG 0.118285 MAX 0.198019 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.727 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11624.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11624.6 PRESSURE: 3908400 41.8098 -91.0151 -57.7207 -91.0134 -189.354 -74.9421 -57.7196 -74.941 -253.725 GPRESSURE: 3908400 73.8605 -73.3505 -66.2885 -188.725 -228.559 -78.7988 -29.6169 1.69242 -142.122 PRESSAVG: 3908400 -37.8474 49.9671 22.0907 49.9671 41.789 -16.875 22.0906 -16.8751 -17.8034 GPRESSAVG: 3908400 -39.6836 50.0213 23.2961 52.2115 42.763 -16.2444 23.7702 -18.1259 -16.666 TIMING: 3908400 CPU: 11621.3, 0.00301937/step Wall: 11621.3, 0.00301937/step, 0.915541 hours remaining, 206.503906 MB of memory in use. ENERGY: 3908400 754.7172 2092.4061 1925.1700 115.9782 -206307.9390 17740.6768 0.0000 0.0000 34134.9865 -149544.0041 298.1093 -183678.9906 -149451.8495 298.4338 -133.7563 -98.9402 557166.0096 -4.6206 -4.5289 PRESSURE: 3908600 -218.558 68.6605 -45.762 68.6604 3.99335 -34.4964 -45.7632 -34.4961 -96.2575 GPRESSURE: 3908600 -155.287 -48.2874 -76.8031 31.0819 2.47413 -33.1792 36.8779 -72.9882 -60.0238 PRESSAVG: 3908600 25.0267 -4.42558 -24.7921 -4.42559 0.509362 -40.4034 -24.7921 -40.4034 32.3369 GPRESSAVG: 3908600 25.8535 -2.56142 -24.7698 -7.51408 2.09353 -41.1287 -26.968 -40.2559 30.5616 TIMING: 3908600 CPU: 11621.9, 0.00294701/step Wall: 11621.9, 0.00294701/step, 0.893437 hours remaining, 206.503906 MB of memory in use. ENERGY: 3908600 755.0899 2100.1276 1910.8043 117.0855 -206493.8639 17873.4734 0.0000 0.0000 34247.1533 -149490.1298 299.0889 -183737.2831 -149391.4681 298.2678 -103.6073 -70.9455 557294.0961 19.2910 19.5028 PRESSURE: 3908800 -120.756 -50.4688 160.154 -50.4686 100.941 -11.6917 160.154 -11.6928 43.6284 GPRESSURE: 3908800 -134.906 64.3274 232.205 -56.2555 148.504 -16.2405 95.3919 -5.96119 117.999 PRESSAVG: 3908800 -51.9646 33.086 36.6134 33.086 -1.88773 -18.4441 36.6134 -18.4441 4.81164 GPRESSAVG: 3908800 -50.7549 31.8563 37.7408 35.1887 -2.44417 -17.7458 37.2388 -17.862 4.75071 TIMING: 3908800 CPU: 11622.5, 0.00298368/step Wall: 11622.5, 0.00298368/step, 0.904387 hours remaining, 206.503906 MB of memory in use. ENERGY: 3908800 764.0076 2141.8231 1894.9201 109.6637 -206270.7149 17872.2560 0.0000 0.0000 34290.5564 -149197.4881 299.4680 -183488.0445 -149105.2132 298.6301 7.9379 43.8654 557783.4468 -16.3469 -16.1495 PRESSURE: 3909000 67.3273 -61.0266 85.857 -61.0269 62.754 -34.3476 85.8584 -34.3471 176.424 GPRESSURE: 3909000 147.383 -1.07739 -21.9694 -121.596 92.2586 -15.86 127.697 -24.632 169.695 PRESSAVG: 3909000 -11.5646 -7.32417 14.7899 -7.32414 52.3404 -0.0481043 14.7901 -0.0481714 -8.52811 GPRESSAVG: 3909000 -11.9778 -7.73872 13.7662 -6.04665 52.4181 -0.273654 15.2766 1.23508 -8.47348 TIMING: 3909000 CPU: 11623.1, 0.00299005/step Wall: 11623.1, 0.00299005/step, 0.906151 hours remaining, 206.503906 MB of memory in use. ENERGY: 3909000 739.8706 2141.8963 1920.6807 117.0788 -206242.6622 17838.5013 0.0000 0.0000 34095.8090 -149388.8256 297.7672 -183484.6346 -149284.3953 299.4879 102.1685 136.4454 556731.6569 10.7492 10.6556 PRESSURE: 3909200 -402.809 -13.532 111.438 -13.5345 -146.583 -134.183 111.437 -134.185 223.857 GPRESSURE: 3909200 -401.547 -3.28051 114.622 -25.8597 -68.3987 -118.741 97.9535 -126.429 240.107 PRESSAVG: 3909200 -89.3285 43.3245 -26.8034 43.3245 107.275 -75.146 -26.8035 -75.1457 -5.25114 GPRESSAVG: 3909200 -88.1456 44.0605 -25.0095 39.2356 105.226 -74.8572 -28.839 -75.8845 -4.31377 TIMING: 3909200 CPU: 11623.7, 0.00297391/step Wall: 11623.7, 0.00297391/step, 0.901094 hours remaining, 206.503906 MB of memory in use. ENERGY: 3909200 778.1232 2083.6693 1929.4721 109.2370 -205949.0410 17763.7752 0.0000 0.0000 33958.9993 -149325.7650 296.5724 -183284.7643 -149233.3197 299.2049 -108.5118 -76.6127 557379.9756 4.2317 4.2554 PRESSURE: 3909400 -334.238 189.141 106.158 189.141 -114.901 -16.1278 106.159 -16.1272 -163.205 GPRESSURE: 3909400 -294.644 199.823 117.311 185.08 -76.3568 -26.4436 197.508 -59.8128 -141.054 PRESSAVG: 3909400 -13.6058 22.1695 60.2551 22.1695 88.8681 -50.9317 60.255 -50.9316 -46.4608 GPRESSAVG: 3909400 -14.0341 21.3226 58.5122 23.4769 90.3877 -49.5445 63.9105 -51.0738 -47.3474 TIMING: 3909400 CPU: 11624.3, 0.00296509/step Wall: 11624.3, 0.00296509/step, 0.898259 hours remaining, 206.503906 MB of memory in use. ENERGY: 3909400 714.1534 2060.0787 1914.0473 115.9056 -205811.3392 17396.0477 0.0000 0.0000 34461.5556 -149149.5509 300.9613 -183611.1065 -149050.2422 299.7707 -204.1148 -170.6850 557458.3821 9.6005 9.6687 PRESSURE: 3909600 -131.088 -97.6674 -97.5385 -97.6688 80.7115 -34.2884 -97.5389 -34.2876 114.888 GPRESSURE: 3909600 -66.1979 -205.91 -38.8679 -94.1788 106.443 -36.9524 -142.356 -15.8765 112.809 PRESSAVG: 3909600 -42.1525 -20.4347 5.63838 -20.4348 36.6877 5.19946 5.63828 5.19935 -3.0521 GPRESSAVG: 3909600 -41.7096 -21.6817 6.43765 -18.9979 35.9632 3.33898 3.53925 4.8906 -3.01914 TIMING: 3909600 CPU: 11624.9, 0.00296765/step Wall: 11624.9, 0.00296765/step, 0.898869 hours remaining, 206.503906 MB of memory in use. ENERGY: 3909600 748.2037 2122.0789 1927.4903 114.2980 -205915.1098 17831.4146 0.0000 0.0000 34090.5319 -149081.0925 297.7211 -183171.6244 -148987.9469 299.0889 21.5038 51.0182 558670.7080 -2.8390 -2.9219 PRESSURE: 3909800 -66.3151 177.295 115.851 177.294 243.935 64.4397 115.849 64.4387 -93.8438 GPRESSURE: 3909800 10.6017 115.769 71.798 277.492 206.555 128.343 150.763 61.0817 -28.4833 PRESSAVG: 3909800 -0.0681416 -30.6903 -1.80682 -30.6904 17.0691 -1.00874 -1.80683 -1.00869 -7.18757 GPRESSAVG: 3909800 -1.269 -30.5819 -4.40308 -32.0512 17.4837 0.659286 -1.11835 -0.527208 -6.25506 TIMING: 3909800 CPU: 11625.5, 0.00295118/step Wall: 11625.5, 0.00295118/step, 0.893717 hours remaining, 206.503906 MB of memory in use. ENERGY: 3909800 764.0503 2134.1246 1896.2914 111.3687 -206251.4937 17894.6940 0.0000 0.0000 34267.8532 -149183.1116 299.2697 -183450.9648 -149087.7569 299.0133 27.9255 62.8911 556657.7622 3.2711 3.3199 PRESSURE: 3910000 51.4978 119.865 -226.494 119.866 18.5493 -89.2961 -226.493 -89.2979 -195.097 GPRESSURE: 3910000 31.5012 143.187 -125.103 48.8814 84.2031 -92.2632 -237.308 -200.822 -133.825 PRESSAVG: 3910000 13.2172 25.2525 -21.4083 25.2527 45.4443 16.5172 -21.4083 16.5173 -56.1779 GPRESSAVG: 3910000 13.8146 24.4781 -18.562 25.0647 44.7912 16.9877 -23.9148 15.76 -56.4206 TIMING: 3910000 CPU: 11626.1, 0.00294503/step Wall: 11626.1, 0.00294503/step, 0.891691 hours remaining, 206.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3910000 765.7182 2132.9932 1912.3946 119.3973 -206198.1337 17740.6300 0.0000 0.0000 34111.9654 -149415.0349 297.9083 -183527.0003 -149317.4835 299.2461 -41.6834 -6.0403 556477.9643 0.8279 0.7284 PRESSURE: 3910200 169.911 115.567 -151.319 115.567 -176.094 167.773 -151.32 167.773 -3.62547 GPRESSURE: 3910200 175.303 109.106 -111.22 171.31 -71.6317 143.37 -95.1816 127.672 -7.40372 PRESSAVG: 3910200 -3.37377 -8.57535 -48.7667 -8.57528 -23.4173 28.0043 -48.7667 28.0043 26.0036 GPRESSAVG: 3910200 -4.27614 -7.72536 -49.548 -6.05837 -22.5416 27.0126 -46.349 28.1816 25.9975 TIMING: 3910200 CPU: 11626.7, 0.00293048/step Wall: 11626.7, 0.00293048/step, 0.887121 hours remaining, 206.503906 MB of memory in use. ENERGY: 3910200 706.9016 2031.7892 1920.1847 112.1835 -206516.5311 18114.5404 0.0000 0.0000 34082.9893 -149547.9423 297.6552 -183630.9316 -149450.7698 299.4415 -3.2694 32.0892 558621.6289 -0.2625 -0.2734 PRESSURE: 3910400 6.97255 18.1934 33.09 18.1925 -122.65 -67.7055 33.0904 -67.705 -19.7327 GPRESSURE: 3910400 69.3992 91.3984 45.9314 -11.2982 -161.085 -40.5502 -70.2721 -85.733 65.3699 PRESSAVG: 3910400 -15.0231 1.56663 -7.29237 1.56667 -25.9985 6.17815 -7.2924 6.17816 17.813 GPRESSAVG: 3910400 -13.5779 1.76927 -6.80132 -0.591989 -26.9353 6.02539 -8.78735 6.54889 17.3539 TIMING: 3910400 CPU: 11627.3, 0.00292526/step Wall: 11627.3, 0.00292526/step, 0.885378 hours remaining, 206.503906 MB of memory in use. ENERGY: 3910400 799.5657 2111.7078 1933.6342 114.7133 -206935.1418 18153.0658 0.0000 0.0000 34290.6534 -149531.8017 299.4688 -183822.4550 -149444.3805 298.4039 -45.1366 -8.7718 556344.6523 -7.7362 -7.7198 PRESSURE: 3910600 132.775 -57.8628 -59.059 -57.8628 -155.582 -25.7556 -59.0596 -25.7574 -8.90439 GPRESSURE: 3910600 228.885 -116.222 -15.8063 39.7334 -143.37 -0.10419 -116.528 -85.5534 -21.045 PRESSAVG: 3910600 -22.3402 -4.78766 29.1291 -4.78763 7.87775 -47.2519 29.1291 -47.252 11.0077 GPRESSAVG: 3910600 -22.6145 -4.70798 27.9936 -4.69107 7.91583 -47.8907 31.1223 -48.3268 11.4143 TIMING: 3910600 CPU: 11627.8, 0.0029509/step Wall: 11627.8, 0.0029509/step, 0.892976 hours remaining, 206.503906 MB of memory in use. ENERGY: 3910600 740.1484 2092.2443 1927.3301 124.8802 -206518.0532 17695.4750 0.0000 0.0000 34449.7632 -149488.2120 300.8583 -183937.9752 -149389.1021 298.8383 -10.5704 21.4901 555652.8226 -1.1516 -1.0948 PRESSURE: 3910800 -32.1406 -199.413 223.142 -199.415 36.8576 70.8154 223.142 70.8148 -155.327 GPRESSURE: 3910800 -2.20871 -138.81 239.891 -178.591 66.1814 100.123 177.973 62.5128 -128.659 PRESSAVG: 3910800 74.9464 -7.47935 -1.08643 -7.47934 -114.626 39.8382 -1.08643 39.8382 69.8812 GPRESSAVG: 3910800 73.6894 -7.09715 0.0784709 -8.03447 -113.812 41.0078 -3.45087 40.8929 69.8552 TIMING: 3910800 CPU: 11628.4, 0.0029592/step Wall: 11628.4, 0.0029592/step, 0.895321 hours remaining, 206.503906 MB of memory in use. ENERGY: 3910800 766.2402 2144.9767 1914.3560 117.4901 -205975.5060 17577.1777 0.0000 0.0000 34125.3879 -149329.8775 298.0255 -183455.2654 -149224.9344 298.7091 -50.2033 -21.5621 557273.7974 10.0672 9.9109 PRESSURE: 3911000 -142.231 55.9639 -73.1419 55.9639 104.128 84.2936 -73.1425 84.2928 -411.273 GPRESSURE: 3911000 -87.4077 40.9576 -42.0372 71.6966 83.7454 178.166 -54.5012 35.624 -340.013 PRESSAVG: 3911000 -41.2965 -54.4944 -7.01209 -54.4945 33.3991 -19.7388 -7.01209 -19.7387 8.85977 GPRESSAVG: 3911000 -40.0409 -57.465 -6.98093 -53.6155 32.4172 -23.2404 -5.75982 -19.2311 8.94031 TIMING: 3911000 CPU: 11629, 0.00294001/step Wall: 11629, 0.00294001/step, 0.889354 hours remaining, 206.503906 MB of memory in use. ENERGY: 3911000 780.1715 2111.2009 1932.7609 110.4538 -206154.4196 17710.5017 0.0000 0.0000 34183.8724 -149325.4584 298.5363 -183509.3308 -149228.6343 299.0588 -149.7917 -114.5586 558257.5889 0.3208 0.4389 PRESSURE: 3911200 196.803 43.5537 95.0926 43.5547 144.927 3.02805 95.0942 3.02625 -98.6256 GPRESSURE: 3911200 246.531 34.7175 99.8074 5.78312 194.727 1.41157 28.1756 114.592 -85.2648 PRESSAVG: 3911200 5.41931 30.7913 -22.9665 30.7913 33.2067 14.4502 -22.9665 14.4502 4.92182 GPRESSAVG: 3911200 4.14416 32.7344 -24.4807 31.5681 34.1995 15.4629 -23.932 14.7409 5.27838 TIMING: 3911200 CPU: 11629.6, 0.00295138/step Wall: 11629.6, 0.00295138/step, 0.892629 hours remaining, 206.503906 MB of memory in use. ENERGY: 3911200 748.4035 2122.0177 1901.0437 124.4481 -206147.8481 17812.0216 0.0000 0.0000 34179.3095 -149260.6041 298.4964 -183439.9135 -149169.7840 299.3704 81.0346 118.6644 556832.2256 14.5160 14.5407 PRESSURE: 3911400 143.457 -17.8334 -187.461 -17.8332 82.5732 87.7021 -187.461 87.7004 22.0692 GPRESSURE: 3911400 180.822 -75.2497 -185.743 -48.0745 107.297 33.5766 -188.541 61.468 60.1885 PRESSAVG: 3911400 17.3377 10.6242 -40.1271 10.6243 49.8342 -16.9699 -40.1272 -16.9698 -23.2112 GPRESSAVG: 3911400 18.6483 10.908 -38.6717 10.8328 49.6647 -15.3187 -39.292 -15.2241 -24.2923 TIMING: 3911400 CPU: 11630.2, 0.00295936/step Wall: 11630.2, 0.00295936/step, 0.894878 hours remaining, 206.503906 MB of memory in use. ENERGY: 3911400 735.7307 2093.0415 1912.6131 119.5271 -206370.9978 17885.6392 0.0000 0.0000 34489.9723 -149134.4739 301.2095 -183624.4462 -149038.3549 299.2124 82.6996 116.1023 555749.4911 14.6536 14.6736 PRESSURE: 3911600 -142.916 -138.319 79.2255 -138.319 245.48 62.4299 79.2245 62.4296 32.367 GPRESSURE: 3911600 -119.604 -133.084 24.6618 -165.139 268.357 -0.0754903 40.0289 155.258 87.4506 PRESSAVG: 3911600 32.4641 12.7842 -43.7421 12.7842 -10.2276 35.0673 -43.7422 35.0674 -18.3059 GPRESSAVG: 3911600 32.3663 13.2479 -42.0837 12.6216 -10.7718 35.1446 -43.5533 32.1214 -17.9783 TIMING: 3911600 CPU: 11630.8, 0.00295062/step Wall: 11630.8, 0.00295062/step, 0.89207 hours remaining, 206.503906 MB of memory in use. ENERGY: 3911600 723.5751 2078.5867 1945.6751 113.5990 -206296.5000 17856.2639 0.0000 0.0000 34418.4625 -149160.3378 300.5850 -183578.8003 -149065.9325 299.1360 44.9771 78.7345 556380.7622 1.3102 1.2054 PRESSURE: 3911800 -31.2113 -35.0074 -63.4634 -35.0058 23.7227 205.338 -63.4627 205.338 -227.046 GPRESSURE: 3911800 -74.5472 4.72148 -22.9981 -37.5271 144.804 204.148 -129.05 264.933 -208.899 PRESSAVG: 3911800 -22.4007 -9.26573 -14.0315 -9.26577 51.6881 -2.07123 -14.0315 -2.07124 -6.72199 GPRESSAVG: 3911800 -22.9898 -9.64858 -17.3327 -10.0272 52.5541 -2.73681 -13.4065 -1.73856 -7.25348 TIMING: 3911800 CPU: 11631.4, 0.00295035/step Wall: 11631.4, 0.00295035/step, 0.891826 hours remaining, 206.503906 MB of memory in use. ENERGY: 3911800 717.3121 2117.0785 1957.0163 114.5145 -205830.1349 17517.3701 0.0000 0.0000 34263.9049 -149142.9385 299.2352 -183406.8434 -149046.4941 299.3408 -78.1781 -46.2139 557826.5798 7.5218 7.4369 PRESSURE: 3912000 -212.417 153.244 -105.29 153.243 -135.336 -87.2784 -105.29 -87.2777 -187.04 GPRESSURE: 3912000 -203.547 143.352 -36.2251 94.4657 -84.0768 -104.39 -201.317 18.4187 -136.416 PRESSAVG: 3912000 9.41918 45.3577 -22.8985 45.3577 30.105 12.6432 -22.8985 12.6433 2.60775 GPRESSAVG: 3912000 9.19312 44.1914 -20.2384 46.7283 30.7186 12.5344 -24.4895 13.2838 2.7161 TIMING: 3912000 CPU: 11632, 0.00298331/step Wall: 11632, 0.00298331/step, 0.901624 hours remaining, 206.503906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3912000 775.1771 2073.1225 1901.9916 107.6976 -205950.4263 17556.3197 0.0000 0.0000 34308.9112 -149227.2066 299.6283 -183536.1177 -149132.5934 298.7365 -178.2646 -141.3466 556643.8857 14.0440 14.2093 PRESSURE: 3912200 173.256 -57.3608 11.0258 -57.3608 128.549 27.0759 11.0257 27.0765 -65.8261 GPRESSURE: 3912200 251.015 -56.7141 120.255 -181.54 151.802 24.9868 -97.6615 89.3669 -70.3527 PRESSAVG: 3912200 13.2898 -24.7407 33.3374 -24.7406 39.6216 6.09845 33.3375 6.09844 -5.98568 GPRESSAVG: 3912200 14.4137 -23.8524 30.9415 -26.3016 37.7686 4.67765 35.3364 6.71036 -4.92358 TIMING: 3912200 CPU: 11632.6, 0.00298738/step Wall: 11632.6, 0.00298738/step, 0.902687 hours remaining, 206.503906 MB of memory in use. ENERGY: 3912200 732.2389 2124.5868 1923.0417 128.9427 -206132.8530 17701.1259 0.0000 0.0000 34253.8784 -149269.0385 299.1476 -183522.9170 -149177.0503 298.9935 78.6597 110.8213 555497.3137 15.6419 15.7529 LDB: ============= START OF LOAD BALANCING ============== 11636.1 LDB: ============== END OF LOAD BALANCING =============== 11636.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11636.1 LDB: ============= START OF LOAD BALANCING ============== 11636.4 LDB: Largest compute 4772 load 0.021664 is 18.3% of average load 0.118274 LDB: Average compute 0.001742 is 1.5% of average load 0.118274 LDB: TIME 11636.4 LOAD: AVG 0.118274 MAX 0.198546 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.207 MB LDB: TIME 11636.4 LOAD: AVG 0.118274 MAX 0.198546 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.207 MB LDB: TIME 11636.4 LOAD: AVG 0.118274 MAX 0.198546 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.207 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11636.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11636.4 PRESSURE: 3912400 207.695 125.263 48.2569 125.263 -103.721 -90.1339 48.2557 -90.1336 66.6495 GPRESSURE: 3912400 221.306 86.8333 105.447 92.9929 -48.9582 -95.2057 45.4616 -86.2338 90.5593 PRESSAVG: 3912400 -12.343 4.58035 9.00008 4.58037 5.59487 -12.7058 9.0001 -12.7058 9.25654 GPRESSAVG: 3912400 -12.3218 5.02929 9.33742 4.34334 5.56618 -12.6395 9.54518 -12.7796 10.024 TIMING: 3912400 CPU: 11633.2, 0.00302926/step Wall: 11633.2, 0.00302926/step, 0.915172 hours remaining, 207.652344 MB of memory in use. ENERGY: 3912400 748.8326 2105.2538 1897.0730 124.2696 -206212.2348 17806.7727 0.0000 0.0000 34378.2556 -149151.7774 300.2339 -183530.0331 -149054.9120 299.3058 56.8745 87.6356 555914.7122 0.8361 1.0895 PRESSURE: 3912600 87.3296 84.6267 119.932 84.6276 239.954 -7.90508 119.931 -7.90533 -7.34396 GPRESSURE: 3912600 134.538 100.171 135.293 14.1827 216.817 42.7741 64.2758 -91.2185 63.0907 PRESSAVG: 3912600 11.4889 12.2423 -23.2453 12.2424 14.0344 -8.60783 -23.2453 -8.60782 2.21261 GPRESSAVG: 3912600 12.0459 11.2467 -22.641 12.472 14.4029 -5.21992 -25.4189 -11.2038 1.06715 TIMING: 3912600 CPU: 11633.8, 0.0029485/step Wall: 11633.8, 0.0029485/step, 0.890611 hours remaining, 207.851562 MB of memory in use. ENERGY: 3912600 711.6210 2115.2942 1910.8434 115.4396 -205850.1675 17722.5110 0.0000 0.0000 34366.5036 -148907.9547 300.1312 -183274.4583 -148811.4551 300.0971 106.6465 138.1488 556186.1274 9.2453 9.1720 PRESSURE: 3912800 -126.717 85.4174 -8.11066 85.4172 -331.188 61.655 -8.10941 61.6553 -58.3065 GPRESSURE: 3912800 -57.6949 185.2 -0.847251 -3.36109 -307.164 79.0954 -78.941 42.0631 -57.0346 PRESSAVG: 3912800 5.18017 -5.74369 -34.962 -5.74369 -40.3948 5.7961 -34.962 5.79608 37.7187 GPRESSAVG: 3912800 4.10489 -7.02583 -32.8441 -5.15013 -39.649 4.71427 -33.746 6.90177 38.3678 TIMING: 3912800 CPU: 11634.4, 0.00292595/step Wall: 11634.4, 0.00292595/step, 0.883636 hours remaining, 207.851562 MB of memory in use. ENERGY: 3912800 740.9625 2074.8295 1940.3876 109.6307 -205682.9736 17614.7809 0.0000 0.0000 34283.5193 -148918.8630 299.4065 -183202.3823 -148826.3091 300.3851 -172.0705 -140.6312 558664.5751 0.8347 0.9412 PRESSURE: 3913000 269.663 41.7486 147.798 41.7472 86.1256 162.564 147.799 162.563 -269.234 GPRESSURE: 3913000 319.546 38.7863 110.928 58.5457 111.187 160.588 52.6629 197.283 -245.296 PRESSAVG: 3913000 44.6404 -1.48998 13.474 -1.49002 1.36465 37.1836 13.474 37.1837 18.4444 GPRESSAVG: 3913000 45.5973 -0.771507 10.4452 -1.50484 0.504106 37.3588 11.4676 37.3552 18.4008 TIMING: 3913000 CPU: 11634.9, 0.00294636/step Wall: 11634.9, 0.00294636/step, 0.889638 hours remaining, 207.851562 MB of memory in use. ENERGY: 3913000 744.5128 2117.6440 1929.2644 109.7805 -205464.6221 17562.2682 0.0000 0.0000 34160.4236 -148840.7287 298.3315 -183001.1523 -148751.0633 299.5465 28.8515 61.8125 557876.4056 21.4831 21.5007 PRESSURE: 3913200 -170.181 124.166 63.7887 124.167 -54.9798 82.0536 63.789 82.0537 124.792 GPRESSURE: 3913200 -87.8158 120.299 17.1472 125.23 -17.5619 106.791 30.4751 59.0345 93.0299 PRESSAVG: 3913200 15.4722 3.44727 46.8035 3.44737 21.7608 53.2362 46.8036 53.2363 -3.08077 GPRESSAVG: 3913200 15.4828 3.43423 47.6923 4.14832 21.8076 53.1347 47.2837 51.4557 -3.06905 TIMING: 3913200 CPU: 11635.5, 0.00294588/step Wall: 11635.5, 0.00294588/step, 0.889329 hours remaining, 207.851562 MB of memory in use. ENERGY: 3913200 742.5292 2074.3908 1924.6282 115.3092 -205956.4259 17705.5363 0.0000 0.0000 34588.3129 -148805.7193 302.0683 -183394.0322 -148703.8219 300.6006 -33.4562 -4.1159 557704.1312 11.3841 11.4071 PRESSURE: 3913400 107.7 5.3635 -70.9311 5.36357 -161.267 21.5631 -70.9317 21.5614 -8.91711 GPRESSURE: 3913400 73.3972 -17.7487 -157.44 116.388 -79.1109 -48.2811 -39.2778 11.2666 44.0265 PRESSAVG: 3913400 3.96872 52.1961 3.8375 52.196 -7.13173 -18.965 3.83743 -18.965 -11.0865 GPRESSAVG: 3913400 3.32273 52.3699 4.91285 52.1074 -6.35805 -20.8791 3.39192 -18.7686 -11.3704 TIMING: 3913400 CPU: 11636.1, 0.00297809/step Wall: 11636.1, 0.00297809/step, 0.898886 hours remaining, 207.851562 MB of memory in use. ENERGY: 3913400 779.5341 2020.0483 1942.5864 116.7731 -205910.0452 17903.6279 0.0000 0.0000 34333.1846 -148814.2908 299.8402 -183147.4754 -148717.2712 300.4972 -20.8281 12.7709 558867.3128 -4.7498 -4.8019 PRESSURE: 3913600 -56.4879 108.029 -78.5013 108.03 -57.6579 -43.4124 -78.5017 -43.412 57.135 GPRESSURE: 3913600 -8.86096 175.77 -84.3726 76.2182 -15.3912 -7.77765 -181.29 -158.969 63.1298 PRESSAVG: 3913600 11.2814 19.8297 31.4739 19.8297 -12.235 -13.7402 31.474 -13.7403 33.4377 GPRESSAVG: 3913600 9.96336 19.8223 30.9494 19.6741 -11.277 -13.4357 32.9762 -14.4024 33.6082 TIMING: 3913600 CPU: 11636.7, 0.00295622/step Wall: 11636.7, 0.00295622/step, 0.892122 hours remaining, 207.851562 MB of memory in use. ENERGY: 3913600 756.1782 2120.0459 1934.7881 113.4299 -205998.2299 17940.7506 0.0000 0.0000 34301.2082 -148831.8292 299.5610 -183133.0374 -148739.0219 299.9517 -19.0036 12.9592 560095.4550 10.8280 10.7649 PRESSURE: 3913800 112.228 -93.5278 -230.69 -93.5256 51.7492 -89.1746 -230.689 -89.1749 -130.82 GPRESSURE: 3913800 122.336 -53.46 -181.442 -42.8281 111.568 8.32648 -219.628 -92.6106 -95.8152 PRESSAVG: 3913800 -8.00209 29.3187 -3.25786 29.3188 14.0959 6.70022 -3.25793 6.70009 -13.5546 GPRESSAVG: 3913800 -8.00079 29.2279 -3.30764 30.18 12.7007 6.66089 -4.14937 8.63135 -12.799 TIMING: 3913800 CPU: 11637.3, 0.00294104/step Wall: 11637.3, 0.00294104/step, 0.887376 hours remaining, 207.851562 MB of memory in use. ENERGY: 3913800 740.8288 2093.5817 1872.0689 127.4072 -206000.9284 17908.4665 0.0000 0.0000 34453.8242 -148804.7512 300.8938 -183258.5754 -148710.9244 300.1649 11.0522 46.0295 559000.1290 -2.4869 -2.6997 PRESSURE: 3914000 314.214 125.694 -86.4915 125.694 143.8 108.188 -86.4907 108.189 226.545 GPRESSURE: 3914000 354.778 144.424 -121.656 67.5046 166.539 112.206 -54.2025 57.3161 256.837 PRESSAVG: 3914000 -57.4845 17.8621 -72.783 17.8621 -27.5279 29.2727 -72.7831 29.2726 67.8303 GPRESSAVG: 3914000 -56.8037 19.3576 -75.317 16.2426 -28.3339 28.4212 -70.7266 29.7041 67.5764 TIMING: 3914000 CPU: 11637.9, 0.00296267/step Wall: 11637.9, 0.00296267/step, 0.893739 hours remaining, 207.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3914000 744.6850 2089.5761 1904.2203 111.9921 -206226.8907 18108.7650 0.0000 0.0000 34353.3484 -148914.3038 300.0163 -183267.6521 -148816.9398 299.7867 228.1865 259.3849 558122.6410 -5.7274 -5.8537 PRESSURE: 3914200 35.8323 38.4324 -10.2659 38.432 -29.0459 1.70215 -10.2651 1.70119 62.6386 GPRESSURE: 3914200 49.2561 48.9065 -32.725 19.1359 -11.335 58.2439 -2.20472 143.175 131.057 PRESSAVG: 3914200 59.467 -1.28299 42.2059 -1.28293 -35.2561 61.3404 42.2058 61.3403 33.9712 GPRESSAVG: 3914200 59.2537 -3.47351 44.5266 -0.813124 -34.0812 61.6374 37.3759 63.0408 32.375 TIMING: 3914200 CPU: 11638.5, 0.00296659/step Wall: 11638.5, 0.00296659/step, 0.894755 hours remaining, 207.851562 MB of memory in use. ENERGY: 3914200 720.3850 2088.9318 1921.1658 100.0516 -206281.6426 17853.1736 0.0000 0.0000 34533.7502 -149064.1846 301.5918 -183597.9348 -148961.2175 300.1435 23.1417 56.3262 558232.8056 19.3941 19.1825 PRESSURE: 3914400 -224.226 200.591 -153.464 200.591 -168.477 53.1813 -153.465 53.1817 -125.634 GPRESSURE: 3914400 -125.839 141.076 -233.59 146.514 -167.598 54.6997 -37.3936 1.88025 -132.07 PRESSAVG: 3914400 24.8582 -7.93641 48.2317 -7.93637 62.5489 42.6755 48.2318 42.6755 -67.859 GPRESSAVG: 3914400 24.1039 -7.62721 50.4885 -6.08549 62.6829 43.6394 49.552 40.0891 -67.4542 TIMING: 3914400 CPU: 11639.1, 0.00297443/step Wall: 11639.1, 0.00297443/step, 0.896956 hours remaining, 207.851562 MB of memory in use. ENERGY: 3914400 761.7795 2155.3357 1918.9650 118.2548 -205755.5582 17495.7235 0.0000 0.0000 34354.7053 -148950.7944 300.0282 -183305.4997 -148853.4020 299.6763 -172.7789 -141.8356 558659.0663 6.5160 6.4442 PRESSURE: 3914600 141.796 81.0586 178.863 81.0579 96.1856 -47.3395 178.864 -47.3417 56.6583 GPRESSURE: 3914600 173.117 63.2233 168.336 70.5051 129.536 -8.26228 166.827 -38.9308 93.6139 PRESSAVG: 3914600 -16.0099 -3.92063 19.9284 -3.92069 65.4839 -9.78885 19.9283 -9.78904 0.182385 GPRESSAVG: 3914600 -15.4722 -5.20672 16.9012 -3.02023 66.0675 -11.9423 20.9755 -6.94667 -0.750048 TIMING: 3914600 CPU: 11639.7, 0.00295465/step Wall: 11639.7, 0.00295465/step, 0.890828 hours remaining, 207.851562 MB of memory in use. ENERGY: 3914600 751.7067 2114.1244 1911.2424 119.1545 -206039.9769 17991.6908 0.0000 0.0000 34379.5509 -148772.5071 300.2452 -183152.0581 -148677.0605 300.1781 98.2134 132.0891 559678.1366 16.5521 16.6151 PRESSURE: 3914800 -24.0806 -27.088 -38.1321 -27.0876 -256.917 232.257 -38.131 232.258 -5.94394 GPRESSURE: 3914800 19.4617 -65.1583 -13.4489 -21.3508 -188.28 179.279 -19.5014 184.776 -13.115 PRESSAVG: 3914800 8.17726 -69.762 21.8891 -69.7619 -12.385 -5.31597 21.889 -5.31597 11.5675 GPRESSAVG: 3914800 8.60993 -68.3381 22.7544 -72.9363 -12.3759 -3.65716 22.0269 -7.25547 10.9444 TIMING: 3914800 CPU: 11640.3, 0.00292426/step Wall: 11640.3, 0.00292426/step, 0.881502 hours remaining, 207.851562 MB of memory in use. ENERGY: 3914800 732.1986 2116.5640 1912.0740 100.5729 -205722.4708 17567.6267 0.0000 0.0000 34456.7366 -148836.6979 300.9193 -183293.4345 -148738.3456 300.5568 -95.6471 -60.6443 558589.3756 2.4533 2.3928 PRESSURE: 3915000 63.1519 162.201 -123.308 162.2 -333.366 4.96004 -123.308 4.96155 -192.5 GPRESSURE: 3915000 70.0293 198.708 -35.2613 118.886 -297.192 72.7619 -203.325 1.84135 -133.503 PRESSAVG: 3915000 4.31346 48.0568 10.9761 48.0568 10.5825 4.13402 10.9762 4.13397 -24.1723 GPRESSAVG: 3915000 3.88321 46.0965 8.5572 49.1965 10.3107 4.74655 11.8711 4.51874 -23.4085 TIMING: 3915000 CPU: 11640.9, 0.00290382/step Wall: 11640.9, 0.00290382/step, 0.875178 hours remaining, 207.851562 MB of memory in use. ENERGY: 3915000 716.1157 2007.3971 1928.7616 111.6699 -205671.5820 17628.5392 0.0000 0.0000 34579.0873 -148700.0113 301.9878 -183279.0986 -148602.3994 300.5955 -154.2382 -120.2220 559905.4252 -3.0921 -3.0716 PRESSURE: 3915200 319.995 -187.222 -50.3117 -187.222 56.9843 -95.3455 -50.3123 -95.346 -137.048 GPRESSURE: 3915200 369.837 -192.48 -11.615 -255.341 55.5107 -30.1005 -97.8829 -103.263 -80.445 PRESSAVG: 3915200 36.0562 -18.6295 9.74976 -18.6294 -19.3228 22.5914 9.74966 22.5914 55.2308 GPRESSAVG: 3915200 35.6195 -14.8863 12.932 -22.2664 -19.6494 24.1123 9.26757 21.6316 56.4753 TIMING: 3915200 CPU: 11641.4, 0.00293908/step Wall: 11641.4, 0.00293908/step, 0.885641 hours remaining, 207.851562 MB of memory in use. ENERGY: 3915200 764.5407 2144.3920 1915.0939 108.9157 -205898.9295 17845.8279 0.0000 0.0000 34469.8230 -148650.3364 301.0335 -183120.1593 -148558.1556 300.5871 79.9770 114.9674 558262.5217 23.9881 24.1485 PRESSURE: 3915400 -290.548 62.4166 -65.9753 62.4168 -83.4061 25.7567 -65.9756 25.7574 -141.606 GPRESSURE: 3915400 -269.421 79.701 -10.134 -24.7388 -43.4349 -9.62798 -104.792 28.2655 -109.73 PRESSAVG: 3915400 -24.7414 31.9639 6.83202 31.9639 41.612 -12.0199 6.83199 -12.0199 -19.2489 GPRESSAVG: 3915400 -24.0686 30.9718 5.49373 34.9138 41.3048 -15.7643 7.31142 -10.3017 -19.5596 TIMING: 3915400 CPU: 11642, 0.00291725/step Wall: 11642, 0.00291725/step, 0.878902 hours remaining, 207.851562 MB of memory in use. ENERGY: 3915400 758.5710 2119.0710 1911.1823 129.2246 -205851.4794 17528.5114 0.0000 0.0000 34686.1454 -148718.7738 302.9227 -183404.9192 -148625.0663 300.7248 -171.8531 -140.8620 558955.4357 -0.7927 -0.7745 PRESSURE: 3915600 55.8421 42.1554 -58.392 42.1569 136.065 -4.42053 -58.392 -4.4184 -38.3679 GPRESSURE: 3915600 95.7841 16.9932 -92.6161 32.4503 218.095 105.96 -31.4485 -50.9454 -62.0007 PRESSAVG: 3915600 9.06793 49.0502 -7.0416 49.0502 9.99384 20.1051 -7.04153 20.1052 -32.7365 GPRESSAVG: 3915600 10.1187 49.1298 -9.16866 49.1686 9.52853 20.7895 -7.94737 21.3523 -32.7215 TIMING: 3915600 CPU: 11642.6, 0.00288546/step Wall: 11642.6, 0.00288546/step, 0.869166 hours remaining, 207.851562 MB of memory in use. ENERGY: 3915600 755.1947 2163.2501 1909.9594 121.7745 -206310.4590 17953.6150 0.0000 0.0000 34344.6375 -149062.0278 299.9403 -183406.6653 -148970.8490 300.3707 51.1797 83.9595 557652.0055 -4.5583 -4.3581 PRESSURE: 3915800 -284.774 -72.6278 85.3895 -72.6284 -224.851 10.6899 85.3894 10.6894 -45.3242 GPRESSURE: 3915800 -209.973 -53.0063 35.2045 -16.4629 -263.339 13.6447 63.1345 -49.8667 22.1097 PRESSAVG: 3915800 9.47564 -7.66637 37.1193 -7.66637 -5.53042 15.8832 37.1193 15.8833 -4.87632 GPRESSAVG: 3915800 9.0136 -7.39611 39.9711 -7.54038 -5.06851 17.0087 38.5921 13.6865 -4.67816 TIMING: 3915800 CPU: 11643.2, 0.00292109/step Wall: 11643.2, 0.00292109/step, 0.879736 hours remaining, 207.851562 MB of memory in use. ENERGY: 3915800 747.0314 2084.4648 1934.7294 114.6295 -206136.9240 17484.0705 0.0000 0.0000 34462.5883 -149309.4100 300.9704 -183771.9983 -149205.6252 299.9860 -184.9831 -150.4006 556374.4106 -0.3104 -0.2444 PRESSURE: 3916000 144.95 46.9072 -76.0583 46.9084 13.9943 167.235 -76.0586 167.235 171.591 GPRESSURE: 3916000 179.153 53.0006 -85.2207 105.512 57.2248 96.1285 -107.13 228.512 191.959 PRESSAVG: 3916000 5.66595 27.9545 15.2308 27.9546 -36.1015 39.536 15.2307 39.5361 37.4131 GPRESSAVG: 3916000 4.96694 28.9196 14.8953 27.5529 -35.8884 39.6638 15.444 39.6439 37.4312 TIMING: 3916000 CPU: 11643.8, 0.00292657/step Wall: 11643.8, 0.00292657/step, 0.881222 hours remaining, 207.851562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3916000 730.5013 2108.0984 1907.5825 118.1081 -206608.5717 17988.9625 0.0000 0.0000 34400.8472 -149354.4717 300.4312 -183755.3189 -149254.9690 299.9786 110.1785 142.7791 555368.8340 2.3259 2.1699 PRESSURE: 3916200 -12.7174 -20.7498 39.1675 -20.75 138.217 66.6841 39.1672 66.6857 138.519 GPRESSURE: 3916200 -26.4348 -49.8252 70.1409 -34.4632 171.745 65.0351 62.1885 124.277 193.356 PRESSAVG: 3916200 -5.23992 -25.192 -11.5412 -25.1919 -26.9753 37.0601 -11.5412 37.0601 -23.0635 GPRESSAVG: 3916200 -5.5556 -25.434 -11.8596 -23.6282 -25.5701 38.8634 -11.2917 36.3245 -24.5146 TIMING: 3916200 CPU: 11644.4, 0.00293188/step Wall: 11644.4, 0.00293188/step, 0.882659 hours remaining, 207.851562 MB of memory in use. ENERGY: 3916200 777.0114 2131.8862 1932.5486 117.8936 -206404.6446 17863.4805 0.0000 0.0000 34267.0063 -149314.8180 299.2623 -183581.8243 -149221.9452 299.0361 88.0061 112.8888 555313.3579 -18.4263 -18.5468 LDB: ============= START OF LOAD BALANCING ============== 11647.9 LDB: ============== END OF LOAD BALANCING =============== 11647.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11647.9 LDB: ============= START OF LOAD BALANCING ============== 11648.2 LDB: Largest compute 4802 load 0.021645 is 18.3% of average load 0.118306 LDB: Average compute 0.001742 is 1.5% of average load 0.118306 LDB: TIME 11648.2 LOAD: AVG 0.118306 MAX 0.196325 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.543 MB LDB: TIME 11648.2 LOAD: AVG 0.118306 MAX 0.196325 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: TIME 11648.2 LOAD: AVG 0.118306 MAX 0.196325 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: ============== END OF LOAD BALANCING =============== 11648.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11648.2 PRESSURE: 3916400 96.4834 20.0788 50.8728 20.078 85.9532 29.0302 50.8721 29.0318 -85.6363 GPRESSURE: 3916400 135.086 58.1668 -29.1886 -10.0129 75.4701 27.4179 13.9533 -17.0297 -4.98199 PRESSAVG: 3916400 45.8618 -10.2479 39.5238 -10.2479 48.1188 58.9661 39.5237 58.9662 -54.958 GPRESSAVG: 3916400 47.2595 -11.853 39.1572 -11.3999 46.9928 56.8001 39.1399 59.3341 -54.0029 TIMING: 3916400 CPU: 11644.9, 0.00297536/step Wall: 11644.9, 0.00297536/step, 0.895583 hours remaining, 206.343750 MB of memory in use. ENERGY: 3916400 706.1025 2084.7825 1911.7284 118.2820 -206507.1580 17966.1426 0.0000 0.0000 34335.6936 -149384.4265 299.8622 -183720.1200 -149292.3995 299.0953 32.2668 68.5249 557948.3121 13.0075 13.4165 PRESSURE: 3916600 65.338 34.5647 170.336 34.5645 -117.512 -2.11166 170.336 -2.11192 74.5194 GPRESSURE: 3916600 123.291 -26.8422 226.248 34.8565 -50.5871 20.1317 54.3195 -13.7588 51.0085 PRESSAVG: 3916600 -69.0547 13.5039 1.49092 13.5038 -12.8995 23.3106 1.4909 23.3106 74.7096 GPRESSAVG: 3916600 -68.6516 14.346 2.74597 13.0217 -14.0783 24.3955 0.226644 21.4348 75.2054 TIMING: 3916600 CPU: 11645.5, 0.00292371/step Wall: 11645.5, 0.00292371/step, 0.879876 hours remaining, 206.343750 MB of memory in use. ENERGY: 3916600 746.5530 2137.9373 1932.3316 112.5106 -206750.8253 17979.0168 0.0000 0.0000 34387.4431 -149455.0330 300.3141 -183842.4761 -149358.3508 299.4119 7.4484 41.2374 558482.6325 -2.4149 -2.5082 PRESSURE: 3916800 251.806 -149.815 143.234 -149.815 115.966 -67.6328 143.234 -67.6333 -86.7516 GPRESSURE: 3916800 234.368 -173.978 48.175 -128.151 184.005 -73.0031 138.831 -98.5463 -46.5038 PRESSAVG: 3916800 -2.01277 22.5386 52.5387 22.5386 54.1861 1.04954 52.5386 1.04955 -58.1981 GPRESSAVG: 3916800 -2.44479 21.399 50.6326 23.8611 54.981 1.69747 53.0461 2.60321 -59.2297 TIMING: 3916800 CPU: 11646.1, 0.0029184/step Wall: 11646.1, 0.0029184/step, 0.878114 hours remaining, 206.343750 MB of memory in use. ENERGY: 3916800 712.9004 2155.1773 1916.2802 116.2973 -206254.4809 17979.2331 0.0000 0.0000 34012.1671 -149362.4256 297.0367 -183374.5928 -149271.7786 298.6394 93.6734 123.9563 557301.0129 -2.0083 -2.2311 PRESSURE: 3917000 -318.473 -10.4911 -10.9958 -10.4895 77.231 -63.0286 -10.9962 -63.0283 269.281 GPRESSURE: 3917000 -273.842 -66.428 46.7179 60.2658 116.131 -43.668 -11.8009 -170.379 283.673 PRESSAVG: 3917000 8.3834 -27.1727 56.5446 -27.1726 -7.04043 -49.0647 56.5446 -49.0648 2.54831 GPRESSAVG: 3917000 8.03366 -24.1674 55.5657 -28.8597 -7.52308 -47.3929 56.6757 -51.2037 3.47897 TIMING: 3917000 CPU: 11646.7, 0.00292665/step Wall: 11646.7, 0.00292666/step, 0.880435 hours remaining, 206.343750 MB of memory in use. ENERGY: 3917000 800.2275 2081.3964 1923.7961 105.4791 -206509.2494 18063.7932 0.0000 0.0000 34170.1719 -149364.3852 298.4166 -183534.5571 -149274.5223 298.3313 9.3464 41.9872 557051.8241 1.2971 1.3298 PRESSURE: 3917200 176.752 1.87315 -48.7511 1.87233 42.8393 -110.396 -48.7514 -110.396 -66.5036 GPRESSURE: 3917200 189.951 -97.4259 -73.281 12.0892 117.191 -87.2747 -50.0453 -116.341 -64.9305 PRESSAVG: 3917200 -29.6912 -31.7665 -38.2323 -31.7665 -9.66471 -21.7651 -38.2323 -21.7651 -8.46066 GPRESSAVG: 3917200 -29.7366 -33.6466 -36.4336 -30.4978 -8.85432 -25.4984 -37.3463 -16.9804 -9.80587 TIMING: 3917200 CPU: 11647.3, 0.00292353/step Wall: 11647.3, 0.00292353/step, 0.879333 hours remaining, 206.343750 MB of memory in use. ENERGY: 3917200 749.6875 2071.4936 1951.2451 107.4783 -206266.8866 17866.7534 0.0000 0.0000 34243.7391 -149276.4896 299.0591 -183520.2287 -149182.6691 298.7513 51.0293 80.7370 557522.4676 -15.9389 -16.1322 PRESSURE: 3917400 -52.9119 -79.8152 -134.401 -79.8158 -9.00528 -46.1484 -134.402 -46.148 -316.958 GPRESSURE: 3917400 -55.8637 -33.4719 -111.847 -111.322 7.68637 45.7629 -33.5581 -76.5562 -230.498 PRESSAVG: 3917400 -28.3014 -24.4953 -50.9549 -24.4954 3.89524 -58.7536 -50.9548 -58.7536 24.0851 GPRESSAVG: 3917400 -29.7107 -25.4503 -51.9652 -23.5038 3.30742 -58.0408 -50.0964 -60.2078 26.1955 TIMING: 3917400 CPU: 11647.9, 0.00294238/step Wall: 11647.9, 0.00294238/step, 0.884838 hours remaining, 206.343750 MB of memory in use. ENERGY: 3917400 741.2005 2139.9000 1913.3370 102.3668 -206392.4476 17665.5950 0.0000 0.0000 34347.5228 -149482.5254 299.9655 -183830.0482 -149387.6940 298.7339 -126.2916 -92.8916 555745.0050 -0.1070 -0.0693 PRESSURE: 3917600 138.99 28.9988 -121.372 28.9994 76.6313 229.676 -121.37 229.677 171.017 GPRESSURE: 3917600 236.566 52.8541 -185.817 48.5392 51.9807 220.36 -37.6358 221.521 193.213 PRESSAVG: 3917600 -72.2229 -25.191 -26.2418 -25.191 4.34051 21.5159 -26.2417 21.5158 82.2051 GPRESSAVG: 3917600 -71.1717 -26.6693 -27.5028 -25.1264 4.23926 22.5493 -29.0607 21.0433 80.5499 TIMING: 3917600 CPU: 11648.5, 0.00294249/step Wall: 11648.5, 0.00294249/step, 0.884709 hours remaining, 206.343750 MB of memory in use. ENERGY: 3917600 712.6518 2136.7073 1893.7866 124.4052 -206380.0317 17952.1263 0.0000 0.0000 34257.4610 -149302.8935 299.1789 -183560.3545 -149212.8124 298.7148 128.8795 160.5866 556587.9911 4.7742 4.5391 PRESSURE: 3917800 109.905 -11.9846 7.9326 -11.9845 51.247 68.9123 7.9306 68.9109 -107.433 GPRESSURE: 3917800 94.9727 -55.91 -34.0823 3.10322 63.8394 28.6993 -20.488 26.2274 -13.2664 PRESSAVG: 3917800 -9.26495 -19.0603 -5.07645 -19.0604 -1.4655 -29.5294 -5.07649 -29.5295 33.9299 GPRESSAVG: 3917800 -9.65276 -18.1911 -3.88616 -18.2518 -1.44772 -29.4392 -5.17595 -29.7566 34.6089 TIMING: 3917800 CPU: 11649.1, 0.00294457/step Wall: 11649.1, 0.00294457/step, 0.885171 hours remaining, 206.343750 MB of memory in use. ENERGY: 3917800 747.4328 2097.1672 1907.8022 124.8582 -206513.4080 17988.1955 0.0000 0.0000 34233.3971 -149414.5550 298.9688 -183647.9522 -149310.2257 299.2853 17.9064 48.5152 556474.0084 7.7332 7.8361 PRESSURE: 3918000 251.9 -49.9641 -19.7526 -49.964 -21.675 160.753 -19.7527 160.754 -36.0878 GPRESSURE: 3918000 224.853 8.60635 7.54478 -85.0877 12.6637 160.228 -45.6582 63.7545 56.4958 PRESSAVG: 3918000 21.8648 9.02204 29.5095 9.02193 -33.1085 -6.04942 29.5095 -6.04931 -75.516 GPRESSAVG: 3918000 21.9895 8.65111 30.8415 7.19297 -32.269 -5.23329 28.8524 -5.7013 -76.4533 TIMING: 3918000 CPU: 11649.6, 0.00290834/step Wall: 11649.6, 0.00290834/step, 0.874116 hours remaining, 206.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3918000 695.6054 2093.4577 1953.2638 109.9168 -206815.6197 18011.2920 0.0000 0.0000 34433.7244 -149518.3596 300.7183 -183952.0840 -149421.3203 298.5275 64.7124 98.0041 556743.9476 -28.9199 -28.9109 PRESSURE: 3918200 227.304 15.4866 104.929 15.4871 336.618 -52.7414 104.929 -52.7431 177.191 GPRESSURE: 3918200 288.588 -83.6485 151.507 101 378.832 3.30859 165.418 -76.1427 182.518 PRESSAVG: 3918200 -4.15836 -9.60589 2.05133 -9.60594 25.4448 23.2654 2.05136 23.2652 38.5607 GPRESSAVG: 3918200 -3.41729 -9.20264 -0.196183 -8.67069 24.1273 21.1512 3.87294 24.0033 38.4375 TIMING: 3918200 CPU: 11650.2, 0.0029474/step Wall: 11650.2, 0.0029474/step, 0.885695 hours remaining, 206.343750 MB of memory in use. ENERGY: 3918200 680.2544 2083.7449 1913.2702 123.7428 -206524.5560 18094.4185 0.0000 0.0000 34170.5187 -149458.6065 298.4196 -183629.1251 -149358.1701 298.7388 247.0377 283.3125 556609.9839 19.9490 19.7159 PRESSURE: 3918400 -30.1946 -69.1297 -28.1926 -69.1295 165.044 69.9711 -28.1921 69.9715 50.6289 GPRESSURE: 3918400 55.6826 -39.6525 -15.1274 -71.1134 169.792 90.8837 -109.545 89.8479 68.6359 PRESSAVG: 3918400 -13.6255 32.1879 -14.9568 32.1879 32.6692 -8.58828 -14.9568 -8.58838 5.49722 GPRESSAVG: 3918400 -14.0435 33.1565 -12.3 33.3033 32.6877 -7.3686 -16.0952 -10.0407 6.25734 TIMING: 3918400 CPU: 11650.8, 0.00294548/step Wall: 11650.8, 0.00294548/step, 0.884952 hours remaining, 206.343750 MB of memory in use. ENERGY: 3918400 731.5158 2056.0313 1910.4508 113.5147 -206268.8783 17914.1545 0.0000 0.0000 34205.3669 -149337.8442 298.7240 -183543.2111 -149232.2286 299.3780 61.8260 98.0368 557784.1921 8.1803 8.3005 PRESSURE: 3918600 -63.6334 -61.0008 37.2228 -61.0014 -7.68916 -75.1666 37.2227 -75.1676 61.3503 GPRESSURE: 3918600 -23.4712 -63.4227 57.5525 13.8579 -10.1805 -136.031 45.9835 -51.2125 122.891 PRESSAVG: 3918600 -50.0885 -13.7004 -25.8655 -13.7004 51.7178 -36.0147 -25.8655 -36.0147 42.5314 GPRESSAVG: 3918600 -50.291 -12.8223 -25.5752 -16.6712 51.2316 -36.511 -25.4894 -34.7536 42.8301 TIMING: 3918600 CPU: 11651.4, 0.00292434/step Wall: 11651.4, 0.00292434/step, 0.878438 hours remaining, 206.343750 MB of memory in use. ENERGY: 3918600 744.9501 2082.7834 1902.8025 116.1677 -206369.2434 17927.8983 0.0000 0.0000 34344.8101 -149249.8313 299.9418 -183594.6414 -149154.7110 299.2861 -3.3241 29.7464 556054.6468 14.7202 14.5902 PRESSURE: 3918800 -43.3057 158.954 -27.697 158.954 188.821 -106.429 -27.6968 -106.431 -269.414 GPRESSURE: 3918800 20.1696 110.476 -32.1631 166.49 171.109 -126.123 -61.2578 -38.3526 -232.898 PRESSAVG: 3918800 22.2519 62.1708 47.1195 62.1708 -18.3566 -19.3859 47.1195 -19.386 4.84522 GPRESSAVG: 3918800 22.0767 62.0344 44.4658 62.0074 -17.3785 -20.0746 48.6608 -17.2322 3.59999 TIMING: 3918800 CPU: 11652, 0.00294664/step Wall: 11652, 0.00294664/step, 0.884974 hours remaining, 206.343750 MB of memory in use. ENERGY: 3918800 768.5252 2088.1480 1920.8267 110.0528 -206256.1058 17796.1195 0.0000 0.0000 34078.4492 -149493.9845 297.6156 -183572.4336 -149402.4241 299.3710 -41.2997 -13.8731 556420.4326 2.9135 2.7661 PRESSURE: 3919000 -69.0542 -4.16777 48.958 -4.16859 277.005 -157.132 48.9573 -157.134 -146.042 GPRESSURE: 3919000 -81.7725 -15.2462 15.867 26.7731 370.925 -136.007 36.3029 -187.18 -127.363 PRESSAVG: 3919000 -36.5958 -10.4806 -21.9375 -10.4806 36.466 -59.3565 -21.9376 -59.3566 44.7384 GPRESSAVG: 3919000 -36.4612 -12.8859 -19.3712 -8.10362 35.4229 -58.3995 -25.006 -63.0054 45.766 TIMING: 3919000 CPU: 11652.6, 0.00293696/step Wall: 11652.6, 0.00293696/step, 0.881903 hours remaining, 206.343750 MB of memory in use. ENERGY: 3919000 729.4471 2068.6549 1941.0298 117.7376 -206135.6122 17612.1492 0.0000 0.0000 34324.9208 -149341.6730 299.7681 -183666.5938 -149251.4513 299.5452 20.6365 53.9297 555553.8687 14.8695 14.9092 PRESSURE: 3919200 -223.09 -94.1696 -25.0487 -94.1701 -65.7308 125.655 -25.0496 125.656 -120.816 GPRESSURE: 3919200 -166.479 -128.49 2.83583 -18.9618 -74.4238 122.874 -30.6783 160.442 -72.4374 PRESSAVG: 3919200 -40.2102 -32.4218 -46.8418 -32.4218 21.2787 -15.2756 -46.8417 -15.2755 50.1803 GPRESSAVG: 3919200 -40.4085 -31.1264 -48.7597 -33.3916 21.7358 -14.579 -43.5564 -14.9341 49.3107 TIMING: 3919200 CPU: 11653.2, 0.00292892/step Wall: 11653.2, 0.00292892/step, 0.879327 hours remaining, 206.343750 MB of memory in use. ENERGY: 3919200 755.5999 2039.9988 1932.7265 124.9455 -205753.3755 17505.0807 0.0000 0.0000 34056.4028 -149338.6214 297.4230 -183395.0242 -149239.4192 298.9582 -136.5456 -104.4466 556799.4457 10.4163 10.2126 PRESSURE: 3919400 -64.9041 -221.712 -191.816 -221.712 279.347 -286.161 -191.817 -286.161 -45.4424 GPRESSURE: 3919400 -7.93433 -145.789 -157.711 -261.22 281.349 -277.305 -161.422 -253.979 -25.9652 PRESSAVG: 3919400 -57.0999 -15.4529 -66.7796 -15.453 79.4974 20.121 -66.7795 20.121 15.3082 GPRESSAVG: 3919400 -56.6038 -16.3417 -67.2673 -16.58 79.554 20.1087 -68.3159 19.7934 14.8816 TIMING: 3919400 CPU: 11653.7, 0.00292887/step Wall: 11653.7, 0.00292887/step, 0.87915 hours remaining, 206.343750 MB of memory in use. ENERGY: 3919400 744.6392 2076.2193 1909.8747 109.9342 -206419.8577 17768.4181 0.0000 0.0000 34381.7960 -149428.9762 300.2648 -183810.7722 -149328.7203 299.1770 56.3336 82.4831 556642.1638 12.5686 12.6106 PRESSURE: 3919600 72.0681 148.014 -44.7232 148.014 -72.1157 -32.526 -44.7227 -32.5251 0.832295 GPRESSURE: 3919600 111.744 160.678 58.0662 158.983 -40.2501 -63.978 -82.3908 -36.7514 29.9698 PRESSAVG: 3919600 -15.0924 -57.1061 6.70489 -57.106 -21.0407 -24.4953 6.70494 -24.4952 -2.65071 GPRESSAVG: 3919600 -14.999 -57.3062 6.90197 -53.8407 -20.6808 -26.3309 5.49248 -23.4364 -2.51873 TIMING: 3919600 CPU: 11654.3, 0.00291481/step Wall: 11654.3, 0.00291481/step, 0.874767 hours remaining, 206.343750 MB of memory in use. ENERGY: 3919600 723.2295 2096.6838 1939.0286 114.9203 -206248.8932 17883.6679 0.0000 0.0000 34183.3390 -149308.0242 298.5316 -183491.3633 -149212.6541 299.5649 0.2616 33.8212 556325.4143 -12.9280 -12.7328 PRESSURE: 3919800 -186.491 82.9912 -200.962 82.9902 -208.974 -119.754 -200.961 -119.754 55.4039 GPRESSURE: 3919800 -157.736 91.3923 -200.783 65.7546 -139.301 -85.1998 -178.116 -170.447 47.9864 PRESSAVG: 3919800 -77.2146 46.7731 21.7061 46.7731 61.7237 -23.9708 21.7061 -23.9708 -2.635 GPRESSAVG: 3919800 -77.0622 46.9891 22.5081 44.148 60.7614 -23.5937 21.8896 -24.1971 -2.14902 TIMING: 3919800 CPU: 11654.9, 0.0029294/step Wall: 11654.9, 0.0029294/step, 0.878982 hours remaining, 206.343750 MB of memory in use. ENERGY: 3919800 737.1337 2078.4869 1912.2433 115.0977 -206196.1883 17850.8675 0.0000 0.0000 34186.9023 -149315.4569 298.5627 -183502.3592 -149226.1309 299.5342 -113.3536 -83.0169 559098.3900 -6.0419 -6.1499 PRESSURE: 3920000 233.635 -13.8612 -99.1903 -13.8616 3.40113 19.0325 -99.1906 19.0316 129.092 GPRESSURE: 3920000 255.039 -37.3113 -116.102 -71.0084 103.398 63.026 -51.0395 12.4013 103.091 PRESSAVG: 3920000 -30.466 -6.50096 -9.04229 -6.50105 -0.514095 -26.3124 -9.0423 -26.3124 59.4079 GPRESSAVG: 3920000 -29.7458 -5.74678 -7.51504 -5.32706 0.0284244 -24.1185 -9.61739 -27.0072 58.2353 TIMING: 3920000 CPU: 11655.5, 0.00292391/step Wall: 11655.5, 0.00292391/step, 0.877174 hours remaining, 206.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3920000 722.9503 2062.9849 1923.1284 132.1521 -206339.8817 17949.6872 0.0000 0.0000 34200.1488 -149348.8300 298.6784 -183548.9788 -149255.5980 299.3380 122.0426 153.8428 556960.7759 9.4760 9.5060 PRESSURE: 3920200 162.69 166.768 -3.1672 166.769 108.652 107.771 -3.16531 107.77 -33.7587 GPRESSURE: 3920200 185.817 165.884 22.5818 121.733 121.274 60.3813 -72.9281 104 20.7475 PRESSAVG: 3920200 -69.6984 46.3079 -1.63039 46.3078 0.0758982 -26.6111 -1.63043 -26.6111 33.9131 GPRESSAVG: 3920200 -70.8549 47.5111 -2.12583 42.6753 0.870044 -28.3942 -2.09402 -26.9071 35.0392 TIMING: 3920200 CPU: 11656.1, 0.00292725/step Wall: 11656.1, 0.00292725/step, 0.878013 hours remaining, 206.343750 MB of memory in use. ENERGY: 3920200 730.9269 2091.4437 1948.3937 104.2954 -206535.7442 17913.1743 0.0000 0.0000 34458.0198 -149289.4904 300.9305 -183747.5102 -149196.1013 298.6110 79.1945 109.2794 555715.9749 -11.9031 -11.6486 LDB: ============= START OF LOAD BALANCING ============== 11659.6 LDB: ============== END OF LOAD BALANCING =============== 11659.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11659.6 LDB: ============= START OF LOAD BALANCING ============== 11659.9 LDB: Largest compute 4801 load 0.020530 is 17.4% of average load 0.118305 LDB: Average compute 0.001730 is 1.5% of average load 0.118305 LDB: TIME 11659.9 LOAD: AVG 0.118305 MAX 0.196623 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.625 MB LDB: TIME 11659.9 LOAD: AVG 0.118305 MAX 0.196623 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: TIME 11659.9 LOAD: AVG 0.118305 MAX 0.196623 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11659.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11659.9 PRESSURE: 3920400 -265.873 -69.7302 35.9078 -69.7308 -0.465812 98.5192 35.9091 98.5195 -68.9212 GPRESSURE: 3920400 -298.936 -12.7361 68.9708 -57.9429 33.586 156.612 27.8115 60.4909 26.3528 PRESSAVG: 3920400 72.9117 43.8572 5.87886 43.8572 -51.086 -0.864745 5.87888 -0.864659 -32.4594 GPRESSAVG: 3920400 73.369 43.0334 5.61366 46.0334 -51.184 -0.162359 7.46496 -1.31893 -32.7637 TIMING: 3920400 CPU: 11656.7, 0.00299258/step Wall: 11656.7, 0.00299258/step, 0.897441 hours remaining, 206.343750 MB of memory in use. ENERGY: 3920400 748.7361 2153.5176 1930.5770 106.5812 -206025.4468 17639.4212 0.0000 0.0000 34198.6907 -149247.9229 298.6657 -183446.6136 -149147.8035 299.7644 -111.7532 -79.6656 557886.7403 -3.5446 -3.5262 PRESSURE: 3920600 23.6562 176.834 121.472 176.835 -258.221 -168.967 121.472 -168.968 -55.0317 GPRESSURE: 3920600 27.3117 169.763 122.992 37.3884 -192.045 -201.711 114.256 -175.83 -29.393 PRESSAVG: 3920600 -23.0457 36.0125 -14.4444 36.0126 -29.8557 -5.80225 -14.4445 -5.80239 57.3399 GPRESSAVG: 3920600 -22.7569 34.4618 -16.0748 35.2655 -29.2157 -5.55876 -13.132 -6.11973 56.7834 TIMING: 3920600 CPU: 11657.3, 0.00296037/step Wall: 11657.3, 0.00296037/step, 0.887618 hours remaining, 206.343750 MB of memory in use. ENERGY: 3920600 712.8485 2069.5044 1950.8367 125.6330 -205953.0181 17548.7286 0.0000 0.0000 34265.2295 -149280.2374 299.2468 -183545.4669 -149178.8623 298.6787 -96.5321 -64.7087 557786.6747 1.4795 1.6036 PRESSURE: 3920800 179.609 -83.3663 23.4556 -83.3665 23.0552 -43.1109 23.4563 -43.1121 95.0769 GPRESSURE: 3920800 180.838 -108.058 -8.31661 11.7746 37.6847 -205.162 84.1229 44.7155 185.313 PRESSAVG: 3920800 25.9524 -6.08353 24.2752 -6.08348 -1.13184 -15.9249 24.2753 -15.9249 -11.1241 GPRESSAVG: 3920800 26.2788 -5.73643 24.274 -5.75592 -1.82223 -16.675 25.7754 -16.8114 -10.8008 TIMING: 3920800 CPU: 11657.9, 0.00294924/step Wall: 11657.9, 0.00294924/step, 0.884117 hours remaining, 206.601562 MB of memory in use. ENERGY: 3920800 734.7838 2009.5068 1936.5596 104.7842 -206080.8091 17831.2692 0.0000 0.0000 34197.5371 -149266.3685 298.6556 -183463.9055 -149166.3003 298.7504 99.2469 134.6119 557662.8619 4.5655 4.5519 PRESSURE: 3921000 -53.6987 -178.154 -130.534 -178.154 91.6236 196.596 -130.534 196.594 -43.9112 GPRESSURE: 3921000 -18.7438 -148.246 -123.887 -202.235 125.548 213.764 -112.1 151 -13.7741 PRESSAVG: 3921000 48.1341 -52.2884 28.7433 -52.2885 -101.078 -20.6537 28.7433 -20.6538 50.1552 GPRESSAVG: 3921000 48.0009 -52.2071 29.4936 -51.6233 -100.566 -18.7528 24.705 -20.0584 49.947 TIMING: 3921000 CPU: 11658.5, 0.00294724/step Wall: 11658.5, 0.00294724/step, 0.883353 hours remaining, 206.601562 MB of memory in use. ENERGY: 3921000 700.1077 2101.5130 1910.7794 112.6821 -205954.0643 17693.0134 0.0000 0.0000 34171.1166 -149264.8522 298.4249 -183435.9688 -149160.6985 298.4519 -1.9954 31.0102 560036.8738 -0.9296 -0.8727 PRESSURE: 3921200 148.364 62.6335 115.263 62.6328 176.863 -29.5916 115.264 -29.5916 -310.495 GPRESSURE: 3921200 152.631 66.148 120.449 53.945 211.632 -129.173 67.1226 58.1208 -246.48 PRESSAVG: 3921200 60.61 34.4438 -24.6948 34.4439 -33.3246 19.0008 -24.6948 19.001 -91.9777 GPRESSAVG: 3921200 61.4365 35.6591 -23.8688 35.3123 -33.3278 16.3921 -24.0252 20.6498 -92.5552 TIMING: 3921200 CPU: 11659, 0.00295456/step Wall: 11659, 0.00295456/step, 0.885383 hours remaining, 206.601562 MB of memory in use. ENERGY: 3921200 803.9448 2109.1102 1907.3654 113.8441 -206712.5602 18278.0625 0.0000 0.0000 34354.5207 -149145.7125 300.0266 -183500.2332 -149047.2704 299.0161 4.9106 39.2611 559777.4806 -21.5641 -21.4822 PRESSURE: 3921400 -89.6557 -81.9365 82.6699 -81.9364 -42.9501 213.438 82.6695 213.44 -88.5913 GPRESSURE: 3921400 -112.564 -133.309 120.064 -43.7217 36.5915 167.907 56.9537 176.701 -47.7842 PRESSAVG: 3921400 -13.6527 -22.4007 -12.9931 -22.4008 30.8416 -23.6977 -12.9931 -23.6977 -72.3095 GPRESSAVG: 3921400 -15.0425 -21.9218 -13.0461 -21.5769 32 -23.5685 -12.4155 -24.5103 -71.5265 TIMING: 3921400 CPU: 11659.6, 0.00295286/step Wall: 11659.6, 0.00295286/step, 0.884709 hours remaining, 206.601562 MB of memory in use. ENERGY: 3921400 740.1567 2117.4347 1922.2995 120.5482 -206080.3480 17733.0512 0.0000 0.0000 34199.1312 -149247.7266 298.6695 -183446.8578 -149147.8755 299.3976 -73.7324 -41.2523 558724.7086 -18.3735 -18.1897 PRESSURE: 3921600 54.0194 13.4296 -54.4808 13.4299 147.91 57.6288 -54.4797 57.6297 148.919 GPRESSURE: 3921600 102.148 37.7615 -93.5604 -41.6331 180.264 11.7312 -37.8393 86.5587 175.033 PRESSAVG: 3921600 26.4463 -8.20172 33.4094 -8.20171 -24.3924 59.7109 33.4095 59.7109 -31.4323 GPRESSAVG: 3921600 26.7293 -8.35593 31.5307 -10.74 -25.2143 60.2828 34.9972 58.2895 -31.72 TIMING: 3921600 CPU: 11660.2, 0.00295959/step Wall: 11660.2, 0.00295959/step, 0.886562 hours remaining, 206.601562 MB of memory in use. ENERGY: 3921600 777.6400 2106.5809 1931.5651 103.8353 -206392.7910 17919.2636 0.0000 0.0000 34395.9105 -149157.9957 300.3880 -183553.9062 -149066.6671 299.1687 116.9496 152.4816 557386.6085 -9.7928 -10.0683 PRESSURE: 3921800 -82.8543 -90.0739 71.3855 -90.0738 -167.781 109.503 71.3844 109.504 -9.81884 GPRESSURE: 3921800 -53.3285 -164.693 18.9372 -25.363 -121.932 165.111 92.1802 -8.29137 5.11653 PRESSAVG: 3921800 4.01731 -36.5686 -19.558 -36.5686 1.55666 69.4348 -19.5581 69.435 61.8875 GPRESSAVG: 3921800 2.89588 -38.5595 -18.9566 -35.2307 1.5486 68.8991 -20.109 69.3473 63.6379 TIMING: 3921800 CPU: 11660.8, 0.0029745/step Wall: 11660.8, 0.0029745/step, 0.890863 hours remaining, 206.601562 MB of memory in use. ENERGY: 3921800 719.6470 2159.3003 1935.9502 115.1021 -205899.6582 17587.7726 0.0000 0.0000 34172.5352 -149209.3508 298.4372 -183381.8859 -149109.8325 299.7704 -86.8181 -56.7148 559169.8785 22.4872 22.6941 PRESSURE: 3922000 -209.166 -37.0652 31.8769 -37.0652 -185.318 -81.6823 31.8788 -81.681 -91.1291 GPRESSURE: 3922000 -231.785 -95.2063 88.7844 -107.613 -111.797 -74.7182 -53.8439 -86.5869 -55.3889 PRESSAVG: 3922000 10.9745 -59.0275 -22.8782 -59.0275 -63.6298 -12.0106 -22.8781 -12.0107 6.25653 GPRESSAVG: 3922000 12.6672 -58.5821 -23.802 -57.2246 -64.2974 -11.5571 -24.0205 -11.386 5.37035 TIMING: 3922000 CPU: 11661.4, 0.00295729/step Wall: 11661.4, 0.00295729/step, 0.885544 hours remaining, 206.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3922000 798.1101 2089.7281 1932.5152 97.8415 -206571.2945 17769.0576 0.0000 0.0000 34575.5703 -149308.4718 301.9571 -183884.0420 -149208.2738 299.0680 -161.8712 -132.9904 558030.8516 -15.4662 -15.4200 PRESSURE: 3922200 341.699 49.0221 -24.8453 49.022 -10.3218 -115.165 -24.8457 -115.165 -95.0868 GPRESSURE: 3922200 358.978 86.6446 -13.5863 42.3264 -0.949712 -201.564 -39.5035 -13.9044 -17.962 PRESSAVG: 3922200 48.9881 -46.9046 -52.7915 -46.9046 -10.464 -6.65753 -52.7915 -6.65746 -3.10646 GPRESSAVG: 3922200 48.4109 -44.3167 -50.7836 -50.0474 -10.5482 -6.10173 -52.4966 -6.74641 -2.64778 TIMING: 3922200 CPU: 11662, 0.00296902/step Wall: 11662, 0.00296902/step, 0.88889 hours remaining, 206.601562 MB of memory in use. ENERGY: 3922200 783.9352 2080.7039 1927.1585 107.3041 -206614.1571 18076.7838 0.0000 0.0000 34442.2416 -149196.0299 300.7927 -183638.2715 -149096.1300 299.6002 78.7636 113.3556 557745.7712 11.8059 11.7383 PRESSURE: 3922400 -184.822 -122.079 -71.8942 -122.079 -15.8759 -142.877 -71.895 -142.876 89.8007 GPRESSURE: 3922400 -141.241 -74.0331 -45.4167 -127.419 19.4958 -58.1399 -38.131 -156.422 112.523 PRESSAVG: 3922400 34.0891 58.1949 -2.50212 58.1948 -9.80318 -19.0964 -2.50215 -19.0964 -39.0223 GPRESSAVG: 3922400 35.6363 55.2207 -4.1815 61.1049 -8.36179 -18.9791 -1.27759 -19.2081 -41.4164 TIMING: 3922400 CPU: 11662.6, 0.00296638/step Wall: 11662.6, 0.00296638/step, 0.887935 hours remaining, 206.601562 MB of memory in use. ENERGY: 3922400 752.4943 2158.5552 1936.8080 114.8438 -206314.0638 17833.5763 0.0000 0.0000 34243.3971 -149274.3890 299.0561 -183517.7861 -149173.2256 299.2384 -36.9657 -3.0742 557210.3596 -4.9121 -4.7140 PRESSURE: 3922600 21.9184 90.0082 10.5086 90.0081 -56.5336 -120.901 10.5094 -120.9 172.726 GPRESSURE: 3922600 8.54274 115.15 17.7642 59.7156 47.2872 -144.49 -50.1485 -164.892 189.294 PRESSAVG: 3922600 -0.483961 0.561565 -49.4618 0.56154 -29.1118 -28.5381 -49.4619 -28.538 -15.8988 GPRESSAVG: 3922600 -1.7676 1.68112 -47.5009 -1.54615 -29.8258 -29.3659 -49.9185 -30.2681 -14.2747 TIMING: 3922600 CPU: 11663.2, 0.00298793/step Wall: 11663.2, 0.00298793/step, 0.894221 hours remaining, 206.601562 MB of memory in use. ENERGY: 3922600 750.4189 2119.4056 1916.8881 117.9957 -206235.4692 17904.6479 0.0000 0.0000 34112.3702 -149313.7430 297.9118 -183426.1131 -149222.9642 299.2207 46.0368 81.7080 557607.8745 -15.1649 -15.2894 PRESSURE: 3922800 -135.807 211.866 111.083 211.866 -130.617 -108.032 111.083 -108.033 -10.4018 GPRESSURE: 3922800 -76.2732 165.453 28.6066 271.987 -170.198 -115.66 129.849 -70.5317 67.4285 PRESSAVG: 3922800 -7.92293 27.5935 11.6043 27.5935 -2.82254 -56.5695 11.6044 -56.5695 -19.8512 GPRESSAVG: 3922800 -8.01471 28.2683 11.0749 27.9572 -2.76502 -54.212 10.6826 -55.7568 -19.2944 TIMING: 3922800 CPU: 11663.8, 0.00299717/step Wall: 11663.8, 0.00299717/step, 0.896821 hours remaining, 206.601562 MB of memory in use. ENERGY: 3922800 759.9569 2074.9187 1936.8160 114.5300 -206006.4044 17603.2722 0.0000 0.0000 34316.8700 -149200.0406 299.6978 -183516.9107 -149100.5902 298.9503 -92.2754 -59.6809 558206.9416 -10.1989 -10.0247 PRESSURE: 3923000 8.36684 -22.3149 27.151 -22.3139 -86.6332 -57.0721 27.1516 -57.0728 -246.758 GPRESSURE: 3923000 14.5615 -145.397 -0.647333 67.8427 -71.31 -11.2965 55.0839 -82.2855 -166.174 PRESSAVG: 3923000 12.6159 31.1586 -23.143 31.1585 -60.72 -40.0906 -23.143 -40.0906 21.1248 GPRESSAVG: 3923000 12.3053 30.6954 -24.0251 29.8405 -59.8769 -41.4648 -22.6059 -38.8166 20.8528 TIMING: 3923000 CPU: 11664.4, 0.00294926/step Wall: 11664.4, 0.00294926/step, 0.88232 hours remaining, 206.601562 MB of memory in use. ENERGY: 3923000 748.7489 2117.7336 1926.6136 111.6802 -206204.7435 17822.4837 0.0000 0.0000 34252.2374 -149225.2461 299.1333 -183477.4835 -149120.9707 299.0885 -108.3414 -74.3076 557526.0025 -8.9931 -8.9062 PRESSURE: 3923200 7.50158 37.9946 -30.2899 37.9947 11.6511 -157.493 -30.2896 -157.493 -155.485 GPRESSURE: 3923200 60.7425 172.429 -70.3175 -82.654 80.5169 -192.256 -125.044 -111.33 -177.607 PRESSAVG: 3923200 -1.56953 -64.2196 75.768 -64.2194 36.5003 15.8281 75.768 15.8281 -9.06547 GPRESSAVG: 3923200 -0.620007 -65.0413 76.151 -62.1973 36.3468 14.3252 75.7812 15.2741 -9.87706 TIMING: 3923200 CPU: 11665, 0.0029528/step Wall: 11665, 0.0029528/step, 0.883214 hours remaining, 206.601562 MB of memory in use. ENERGY: 3923200 762.7923 2146.8201 1946.5837 109.1261 -206454.2379 17699.4573 0.0000 0.0000 34282.4302 -149507.0282 299.3970 -183789.4584 -149409.5632 298.6975 -45.4440 -12.1159 555712.1754 8.6218 8.6166 PRESSURE: 3923400 -158.286 -18.5564 -30.1248 -18.5569 -83.4135 -42.2526 -30.1245 -42.2534 -61.4611 GPRESSURE: 3923400 -93.5416 -85.8539 17.0156 12.4043 -67.9268 -67.2815 -71.0409 70.1988 -46.6182 PRESSAVG: 3923400 -3.31306 -28.1927 -7.37728 -28.1929 -31.2753 8.91473 -7.37733 8.91468 60.4891 GPRESSAVG: 3923400 -3.29663 -28.6529 -5.04718 -27.9469 -31.4994 10.8316 -7.33218 7.83596 60.6018 TIMING: 3923400 CPU: 11665.6, 0.00294883/step Wall: 11665.6, 0.00294883/step, 0.881863 hours remaining, 206.601562 MB of memory in use. ENERGY: 3923400 768.6117 2099.6069 1929.9926 115.2838 -206424.5621 17805.8270 0.0000 0.0000 34055.5000 -149649.7400 297.4152 -183705.2401 -149559.7402 298.6628 -101.0534 -69.3622 556484.7684 8.6336 8.6019 PRESSURE: 3923600 -153.846 -180.71 -74.4636 -180.709 11.5435 58.5464 -74.4627 58.5468 -126.938 GPRESSURE: 3923600 -98.9709 -144.078 10.1756 -199.251 32.3463 58.4728 -63.5735 76.7837 -101.052 PRESSAVG: 3923600 15.4938 18.2559 -29.8875 18.2559 -35.7071 44.3885 -29.8875 44.3885 40.8293 GPRESSAVG: 3923600 17.1131 17.5743 -30.0488 18.6084 -37.5432 44.9346 -29.582 45.2135 40.9742 TIMING: 3923600 CPU: 11666.2, 0.00293413/step Wall: 11666.2, 0.00293414/step, 0.877306 hours remaining, 206.601562 MB of memory in use. ENERGY: 3923600 733.2838 2113.8985 1930.1580 110.3916 -206370.7419 17782.6819 0.0000 0.0000 34135.1706 -149565.1574 298.1109 -183700.3280 -149460.0655 298.4532 -89.7467 -55.8924 556979.1591 6.8720 6.8480 PRESSURE: 3923800 -67.5461 -84.9243 -84.7144 -84.9232 -25.2931 -149.451 -84.7133 -149.451 -1.03377 GPRESSURE: 3923800 -79.0054 -72.692 -233.567 -85.841 28.5983 -171.563 -47.5995 -148.298 57.0578 PRESSAVG: 3923800 3.72082 12.4281 -10.1551 12.4282 -31.3505 -27.6993 -10.1552 -27.6993 30.5625 GPRESSAVG: 3923800 1.18345 14.1164 -11.6327 11.5701 -28.7261 -29.2478 -10.241 -25.5772 30.6308 TIMING: 3923800 CPU: 11666.7, 0.00292181/step Wall: 11666.7, 0.00292181/step, 0.87346 hours remaining, 206.601562 MB of memory in use. ENERGY: 3923800 738.3589 2130.8551 1904.4270 116.0732 -206552.3088 17929.5919 0.0000 0.0000 33953.4393 -149779.5633 296.5238 -183733.0026 -149687.8094 297.2597 -31.2910 2.2169 556430.9002 0.9776 1.0294 PRESSURE: 3924000 -163.462 157.716 -32.0126 157.715 -23.8869 -101.641 -32.0133 -101.641 48.6219 GPRESSURE: 3924000 -97.3597 93.632 -4.49862 172.735 19.5342 -119.302 -16.7413 -64.5261 24.4188 PRESSAVG: 3924000 -28.1986 12.0259 -16.7022 12.0259 -26.1764 12.7182 -16.7022 12.7183 27.3134 GPRESSAVG: 3924000 -28.3151 11.0548 -16.8398 12.0592 -26.3551 12.8423 -15.9231 11.1516 27.9928 TIMING: 3924000 CPU: 11667.3, 0.00293498/step Wall: 11667.3, 0.00293498/step, 0.877234 hours remaining, 206.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3924000 739.1953 2105.2425 1952.1179 114.8586 -206686.7891 18019.9624 0.0000 0.0000 34025.3887 -149730.0237 297.1522 -183755.4124 -149635.6629 298.0112 -46.2424 -17.8022 558185.3004 -9.0205 -8.8925 PRESSURE: 3924200 81.3751 13.4498 8.71826 13.4485 -129.154 10.2009 8.71705 10.2019 132.305 GPRESSURE: 3924200 81.687 21.0704 67.6765 20.5637 -30.4937 47.2724 -41.4631 -18.5388 129.367 PRESSAVG: 3924200 41.1744 30.9553 -22.787 30.9553 2.15429 -2.54832 -22.7871 -2.54829 -19.1432 GPRESSAVG: 3924200 42.9249 30.6804 -21.8557 31.7561 0.75107 -3.14825 -24.0631 -1.4829 -19.318 TIMING: 3924200 CPU: 11667.9, 0.00294501/step Wall: 11667.9, 0.00294501/step, 0.880067 hours remaining, 206.601562 MB of memory in use. ENERGY: 3924200 754.0631 2069.8277 1939.7945 111.7480 -206546.3233 17998.2827 0.0000 0.0000 34093.2492 -149579.3581 297.7448 -183672.6074 -149484.1807 297.9690 28.1755 60.1868 557855.6113 8.0618 8.1193 LDB: ============= START OF LOAD BALANCING ============== 11671.5 LDB: ============== END OF LOAD BALANCING =============== 11671.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11671.5 LDB: ============= START OF LOAD BALANCING ============== 11671.8 LDB: Largest compute 4796 load 0.020560 is 17.4% of average load 0.118396 LDB: Average compute 0.001729 is 1.5% of average load 0.118396 LDB: TIME 11671.8 LOAD: AVG 0.118396 MAX 0.195381 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.656 MB LDB: TIME 11671.8 LOAD: AVG 0.118396 MAX 0.195381 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: TIME 11671.8 LOAD: AVG 0.118396 MAX 0.195381 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: ============== END OF LOAD BALANCING =============== 11671.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11671.8 PRESSURE: 3924400 14.8354 149.584 -201.301 149.584 -400.648 78.8065 -201.303 78.8052 17.2752 GPRESSURE: 3924400 48.3459 60.6195 -156.311 213.258 -368.15 68.3454 -203.707 78.8838 37.7045 PRESSAVG: 3924400 24.7978 76.3049 19.6899 76.3048 -35.2106 18.1545 19.6899 18.1545 -17.5159 GPRESSAVG: 3924400 24.3801 78.3379 18.445 74.0613 -34.3348 19.8554 20.4562 16.6724 -17.7025 TIMING: 3924400 CPU: 11668.5, 0.00297524/step Wall: 11668.5, 0.00297524/step, 0.888935 hours remaining, 208.656250 MB of memory in use. ENERGY: 3924400 739.2928 2119.9681 1941.9046 116.8942 -206610.9271 17880.3154 0.0000 0.0000 34169.4398 -149643.1122 298.4102 -183812.5521 -149547.9614 298.1384 -122.8458 -94.0332 558638.3595 -9.3096 -9.2191 PRESSURE: 3924600 -60.8961 59.3256 -32.6859 59.3264 74.2545 -20.3556 -32.6861 -20.355 202.673 GPRESSURE: 3924600 -27.906 175.596 21.3133 -28.0515 64.8302 38.8768 32.0081 -102.167 270.289 PRESSAVG: 3924600 -5.65973 67.2261 -19.469 67.2259 -4.17485 28.6093 -19.469 28.6092 44.6434 GPRESSAVG: 3924600 -4.92699 67.0024 -19.3474 66.7805 -5.08173 27.6334 -20.0345 30.0781 44.9271 TIMING: 3924600 CPU: 11669.1, 0.00292566/step Wall: 11669.1, 0.00292566/step, 0.87396 hours remaining, 208.914062 MB of memory in use. ENERGY: 3924600 728.7698 2065.6506 1959.2928 116.1022 -206781.9740 17941.8010 0.0000 0.0000 34202.0160 -149768.3415 298.6947 -183970.3575 -149673.1895 297.6869 72.0104 102.4044 556670.8900 11.6030 11.6394 PRESSURE: 3924800 91.9035 111.32 29.3864 111.32 103.557 138.437 29.385 138.436 -39.4744 GPRESSURE: 3924800 139.051 222.321 0.0099361 113.882 114.109 141.57 66.2469 108.255 2.84046 PRESSAVG: 3924800 31.1302 41.1608 -3.37346 41.1608 -6.24695 35.5388 -3.37339 35.5388 -30.435 GPRESSAVG: 3924800 30.3522 41.7425 -4.87349 40.5396 -6.56745 36.1916 -2.05995 33.0902 -30.0068 TIMING: 3924800 CPU: 11669.7, 0.00293544/step Wall: 11669.7, 0.00293544/step, 0.876718 hours remaining, 208.914062 MB of memory in use. ENERGY: 3924800 748.4029 2160.4696 1953.5578 116.5794 -206724.1836 18006.1525 0.0000 0.0000 34159.0390 -149579.9824 298.3194 -183739.0214 -149478.8644 298.1403 51.9954 85.3337 557801.9226 -1.8506 -2.0740 PRESSURE: 3925000 36.7786 153.876 -50.9677 153.876 19.2707 178.593 -50.9698 178.593 -6.44152 GPRESSURE: 3925000 28.6656 199.708 8.57594 176.43 80.9953 93.2796 -44.4497 174.416 43.1764 PRESSAVG: 3925000 -56.6401 31.5739 -19.8992 31.5739 49.9322 -18.8201 -19.8993 -18.8201 20.6742 GPRESSAVG: 3925000 -56.5923 31.0326 -16.522 31.6037 49.6241 -19.5105 -22.058 -17.4647 20.0031 TIMING: 3925000 CPU: 11670.3, 0.00294287/step Wall: 11670.3, 0.00294287/step, 0.878773 hours remaining, 208.914062 MB of memory in use. ENERGY: 3925000 753.5044 2119.4333 1945.9842 121.1382 -206447.7159 17821.8796 0.0000 0.0000 34158.6269 -149527.1492 298.3158 -183685.7761 -149432.7916 298.7371 16.5359 50.9458 556855.7002 4.6554 4.3450 PRESSURE: 3925200 -104.52 168.273 93.6047 168.272 -66.3173 -98.092 93.6049 -98.0908 -14.8899 GPRESSURE: 3925200 -81.6822 61.1458 140.149 253.569 -55.7312 -137.795 109.049 -105.964 50.2535 PRESSAVG: 3925200 21.7205 28.7285 -12.7254 28.7284 2.34074 -3.63994 -12.7255 -3.63987 -17.1891 GPRESSAVG: 3925200 22.3874 28.5087 -14.6944 29.1198 0.947511 -4.89571 -11.0897 -3.41127 -16.8857 TIMING: 3925200 CPU: 11670.9, 0.00295916/step Wall: 11670.9, 0.00295916/step, 0.883473 hours remaining, 208.972656 MB of memory in use. ENERGY: 3925200 746.6507 2100.1593 1963.3727 121.2250 -206394.3655 17638.2048 0.0000 0.0000 34268.4631 -149556.2900 299.2750 -183824.7530 -149460.2684 298.6871 -61.9091 -29.0533 555719.9990 2.2907 2.1497 PRESSURE: 3925400 127.724 -79.2191 28.5523 -79.2198 122.334 -5.53314 28.5515 -5.53264 28.2172 GPRESSURE: 3925400 140.245 56.2901 28.5742 -106.016 170.506 -49.0516 -10.2244 -127.009 84.547 PRESSAVG: 3925400 34.0714 28.1007 -2.4934 28.1007 62.933 -18.7244 -2.49333 -18.7244 -75.1177 GPRESSAVG: 3925400 34.2186 26.9836 -2.06898 28.9897 63.9772 -19.5199 -1.46189 -17.8688 -75.9943 TIMING: 3925400 CPU: 11671.5, 0.00295615/step Wall: 11671.5, 0.00295615/step, 0.882411 hours remaining, 208.972656 MB of memory in use. ENERGY: 3925400 745.1652 2110.6046 1925.4597 102.2768 -206553.7350 18060.3837 0.0000 0.0000 34365.1790 -149244.6661 300.1197 -183609.8450 -149151.3963 298.7638 92.7583 131.7661 557834.2560 7.2955 7.4005 PRESSURE: 3925600 -36.224 2.34819 -56.6309 2.34781 68.8044 -146.636 -56.6317 -146.635 18.2733 GPRESSURE: 3925600 23.3978 9.37429 19.2835 -56.9182 64.8858 -111.271 -113.269 -153.704 55.5625 PRESSAVG: 3925600 -45.9236 -6.14403 -33.1745 -6.14403 68.3338 -50.3857 -33.1745 -50.3858 -16.1607 GPRESSAVG: 3925600 -47.0157 -4.62796 -33.5084 -5.8763 68.7732 -48.4507 -32.9622 -52.7054 -15.7671 TIMING: 3925600 CPU: 11672, 0.00296237/step Wall: 11672, 0.00296237/step, 0.884104 hours remaining, 208.972656 MB of memory in use. ENERGY: 3925600 738.7778 2078.0379 1921.0996 117.0125 -206181.7033 17819.5771 0.0000 0.0000 34372.6455 -149134.5528 300.1849 -183507.1984 -149031.8523 299.8105 16.9512 47.9487 559839.5520 2.0832 1.9968 PRESSURE: 3925800 -206.914 5.57265 -3.18842 5.57222 98.8051 -97.3929 -3.1896 -97.3905 49.1192 GPRESSURE: 3925800 -160.138 -6.56656 -41.3247 -64.0733 150.727 -104.725 130.153 -162.496 49.8594 PRESSAVG: 3925800 -10.2575 -0.438448 1.76371 -0.438386 44.295 -9.05416 1.76372 -9.05413 6.27943 GPRESSAVG: 3925800 -9.20812 1.05715 1.84494 -1.85616 43.9395 -12.1202 0.269342 -8.02136 5.92608 TIMING: 3925800 CPU: 11672.6, 0.00297669/step Wall: 11672.6, 0.00297669/step, 0.888211 hours remaining, 208.972656 MB of memory in use. ENERGY: 3925800 741.5105 2106.9362 1915.1862 120.2972 -205828.3465 17712.9797 0.0000 0.0000 33968.3893 -149263.0475 296.6544 -183231.4367 -149162.0922 299.7621 -19.6633 13.4828 559691.9466 13.4390 13.5525 PRESSURE: 3926000 -148.407 231.659 18.2555 231.659 -4.5989 131.575 18.2551 131.575 94.2679 GPRESSURE: 3926000 -78.808 201.102 18.2745 206.342 -34.9039 49.0181 57.8448 170.4 142.243 PRESSAVG: 3926000 -23.8599 30.2062 27.0385 30.2062 58.0562 -23.3375 27.0385 -23.3375 -24.494 GPRESSAVG: 3926000 -25.3868 25.7375 25.5433 33.0116 58.6019 -21.6911 27.1664 -24.1366 -23.0454 TIMING: 3926000 CPU: 11673.2, 0.0029843/step Wall: 11673.2, 0.0029843/step, 0.890317 hours remaining, 208.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3926000 718.3038 2103.5058 1925.9791 115.6034 -206187.2482 17841.0584 0.0000 0.0000 34234.0073 -149248.7905 298.9741 -183482.7978 -149157.0284 299.8265 -19.5794 9.5103 557795.4816 3.2341 3.3899 PRESSURE: 3926200 -177.006 48.5636 -58.0673 48.5629 -234.069 -16.0014 -58.0673 -16.0017 -114.615 GPRESSURE: 3926200 -112.886 76.0172 -28.4635 2.03688 -139.98 28.8593 -49.07 -25.0095 -162.564 PRESSAVG: 3926200 23.2404 19.6791 50.4818 19.6791 -29.7467 69.3676 50.4818 69.3677 -10.1736 GPRESSAVG: 3926200 23.3093 22.9406 51.6744 17.4017 -29.6695 69.5798 51.6105 68.3367 -10.5552 TIMING: 3926200 CPU: 11673.8, 0.00292327/step Wall: 11673.8, 0.00292327/step, 0.871947 hours remaining, 208.984375 MB of memory in use. ENERGY: 3926200 762.9772 2097.5407 1946.4359 123.9884 -206148.2997 17571.1351 0.0000 0.0000 34244.1503 -149402.0722 299.0627 -183646.2225 -149304.5821 298.5943 -175.2299 -138.4767 557312.3428 -5.5600 -5.6385 PRESSURE: 3926400 -314.354 201.029 156.551 201.03 36.7168 -22.9759 156.552 -22.9739 -49.4723 GPRESSURE: 3926400 -246.317 189.193 225.107 192.099 61.6754 -25.9344 62.9126 -28.5216 -50.4939 PRESSAVG: 3926400 -35.7314 38.3019 60.3347 38.3018 65.4483 -4.15103 60.3347 -4.15099 3.02896 GPRESSAVG: 3926400 -34.1798 37.9625 59.4288 39.3954 63.554 -3.14232 59.7329 -2.99635 3.67213 TIMING: 3926400 CPU: 11674.4, 0.00294181/step Wall: 11674.4, 0.00294181/step, 0.877314 hours remaining, 208.984375 MB of memory in use. ENERGY: 3926400 763.5921 2074.6267 1940.5139 114.4313 -205940.9226 17576.7942 0.0000 0.0000 34250.4630 -149220.5014 299.1178 -183470.9644 -149119.4050 299.2703 -109.0365 -78.3784 557891.1415 10.9153 11.0154 PRESSURE: 3926600 36.167 289.716 -93.3899 289.716 -211.207 42.4712 -93.3892 42.4714 -237.765 GPRESSURE: 3926600 13.2305 242.685 -129.773 241.709 -135.232 -1.69618 101.792 29.3439 -190.971 PRESSAVG: 3926600 37.0438 65.2821 0.24247 65.2821 -25.2952 9.22497 0.242477 9.22489 29.1616 GPRESSAVG: 3926600 35.0723 63.7765 1.15164 66.621 -23.6075 6.78964 -0.644334 8.46157 29.4277 TIMING: 3926600 CPU: 11675, 0.00293566/step Wall: 11675, 0.00293566/step, 0.875317 hours remaining, 208.984375 MB of memory in use. ENERGY: 3926600 757.7500 2077.6740 1927.3871 123.2155 -206309.4338 17628.9823 0.0000 0.0000 34348.5226 -149445.9023 299.9742 -183794.4249 -149352.9880 299.1791 -137.6017 -104.3244 558271.1749 13.6368 13.6308 PRESSURE: 3926800 247.509 38.3237 208.211 38.3236 151.014 51.2811 208.21 51.2815 288.297 GPRESSURE: 3926800 234.371 -2.32815 184.877 66.4556 228.103 47.3501 182.62 9.02959 321.557 PRESSAVG: 3926800 -45.2397 41.397 83.6674 41.3969 -19.3386 54.7346 83.6673 54.7346 -9.91229 GPRESSAVG: 3926800 -44.1882 43.4225 85.0113 39.8114 -20.2303 56.2933 84.3654 55.3121 -9.96242 TIMING: 3926800 CPU: 11675.6, 0.00295644/step Wall: 11675.6, 0.00295644/step, 0.881348 hours remaining, 208.984375 MB of memory in use. ENERGY: 3926800 724.3713 2106.8560 1909.1726 111.4356 -206338.3935 17957.6907 0.0000 0.0000 34222.9895 -149305.8778 298.8779 -183528.8673 -149202.8658 299.3353 228.9399 261.3436 555967.7373 -24.8302 -24.7936 PRESSURE: 3927000 160.727 -125.245 -62.9757 -125.245 -59.2079 51.5717 -62.9749 51.5724 -94.3116 GPRESSURE: 3927000 232.71 -80.3153 29.1294 -140.962 -12.0764 72.6967 -90.9565 29.4126 -118.871 PRESSAVG: 3927000 22.5196 -22.706 23.8063 -22.7061 -25.23 67.6072 23.8063 67.6071 -20.0957 GPRESSAVG: 3927000 22.1621 -23.3597 22.3898 -23.3303 -23.5891 66.0359 24.5996 68.0134 -21.1913 TIMING: 3927000 CPU: 11676.2, 0.00296533/step Wall: 11676.2, 0.00296533/step, 0.883834 hours remaining, 208.984375 MB of memory in use. ENERGY: 3927000 734.6250 2070.6720 1907.4869 115.2739 -206172.7909 17772.8600 0.0000 0.0000 34514.5092 -149057.3638 301.4238 -183571.8730 -148960.5446 299.5478 2.4026 33.9208 555993.2925 -7.6020 -7.5395 PRESSURE: 3927200 -139.83 45.6317 73.7703 45.6327 98.5367 165.894 73.7694 165.893 -143.177 GPRESSURE: 3927200 -92.8642 9.40352 137.685 -29.3978 151.599 18.4912 79.0359 227.501 -150.991 PRESSAVG: 3927200 -4.44788 4.96048 -24.0993 4.96044 31.3619 15.2565 -24.0992 15.2565 13.0749 GPRESSAVG: 3927200 -4.46947 4.34912 -22.445 7.61698 30.2423 15.7086 -25.6794 16.656 14.4805 TIMING: 3927200 CPU: 11676.8, 0.00293425/step Wall: 11676.8, 0.00293425/step, 0.874406 hours remaining, 208.984375 MB of memory in use. ENERGY: 3927200 735.0797 2084.3030 1934.6071 105.2809 -205767.3529 17472.9527 0.0000 0.0000 34379.4654 -149055.6640 300.2444 -183435.1294 -148953.2997 299.9970 -61.4901 -30.7521 556328.2349 13.3297 13.4178 PRESSURE: 3927400 70.3479 85.817 115.109 85.8169 119.17 97.3957 115.108 97.3945 -196.146 GPRESSURE: 3927400 142.893 126.717 143.852 29.325 155.537 58.2744 129.03 60.8515 -211.734 PRESSAVG: 3927400 -67.1847 -14.1375 10.4275 -14.1375 80.0732 14.2112 10.4276 14.2111 57.7903 GPRESSAVG: 3927400 -67.9724 -14.1116 6.96741 -14.9403 80.9494 13.7784 12.7672 12.5063 57.8452 TIMING: 3927400 CPU: 11677.4, 0.00296127/step Wall: 11677.4, 0.00296127/step, 0.882295 hours remaining, 208.984375 MB of memory in use. ENERGY: 3927400 748.1264 2081.8168 1922.9887 99.1728 -206193.5224 17917.3169 0.0000 0.0000 34285.1830 -149138.9178 299.4210 -183424.1008 -149040.9934 300.4056 -2.2093 28.8987 558159.8900 23.5596 23.6074 PRESSURE: 3927600 -14.9501 32.8015 48.9697 32.8018 -190.847 -75.7159 48.9707 -75.7183 208.999 GPRESSURE: 3927600 20.6746 -48.9704 23.0206 102.841 -145.35 -62.7449 59.2383 -108.133 231.415 PRESSAVG: 3927600 57.1724 0.587179 -7.95461 0.587336 -42.2635 -2.96722 -7.95461 -2.96732 -23.1661 GPRESSAVG: 3927600 57.9663 2.82821 -6.73811 -0.0478778 -42.8267 -2.33938 -9.3995 -3.63758 -23.0623 TIMING: 3927600 CPU: 11678, 0.00294417/step Wall: 11678, 0.00294417/step, 0.877036 hours remaining, 208.984375 MB of memory in use. ENERGY: 3927600 731.9552 2093.8039 1920.2151 136.2503 -206220.1490 17811.7063 0.0000 0.0000 34262.5107 -149263.7074 299.2230 -183526.2181 -149166.7018 299.3594 1.0675 35.5797 556821.8067 -2.7524 -2.6409 PRESSURE: 3927800 28.0219 67.4425 122.354 67.4424 15.1813 20.5728 122.354 20.5726 -83.9807 GPRESSURE: 3927800 31.1288 82.7037 58.5872 91.7259 57.6961 81.2606 158.792 -38.2397 -49.4 PRESSAVG: 3927800 28.1877 -35.5764 9.0531 -35.5764 43.3411 2.17648 9.05312 2.17647 -47.335 GPRESSAVG: 3927800 28.3829 -37.972 8.71408 -34.0979 42.4653 1.7917 10.4307 4.2723 -47.0496 TIMING: 3927800 CPU: 11678.5, 0.00295112/step Wall: 11678.5, 0.00295112/step, 0.878941 hours remaining, 208.984375 MB of memory in use. ENERGY: 3927800 725.0570 2091.5396 1940.2095 109.9973 -206064.8373 17725.4147 0.0000 0.0000 34377.2577 -149095.3615 300.2251 -183472.6192 -148988.9558 299.3248 -13.5925 13.1416 559100.9922 8.0646 7.9329 PRESSURE: 3928000 68.3322 -40.7819 -8.80611 -40.7814 -196.824 -155.515 -8.80541 -155.514 357.196 GPRESSURE: 3928000 121.437 -79.3271 0.774485 60.3592 -151.491 -82.1779 44.8426 -150.827 369.733 PRESSAVG: 3928000 10.7277 37.9045 3.10518 37.9045 17.755 -35.41 3.10514 -35.41 -34.1733 GPRESSAVG: 3928000 9.99211 39.5029 4.01837 36.8997 18.2813 -33.6814 2.31496 -34.7631 -34.2068 TIMING: 3928000 CPU: 11679.1, 0.00294223/step Wall: 11679.1, 0.00294223/step, 0.87613 hours remaining, 208.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3928000 799.3224 2149.0104 1946.6413 123.1001 -206489.2426 18108.5899 0.0000 0.0000 34425.3666 -148937.2119 300.6453 -183362.5784 -148841.2763 300.0508 76.2345 113.2263 557363.8863 -1.8969 -1.9778 PRESSURE: 3928200 -58.3642 -87.1746 -122.57 -87.174 -186.574 14.1601 -122.57 14.1607 -266.474 GPRESSURE: 3928200 -71.4102 -38.6002 -98.6932 -103.881 -124.886 24.5546 -24.0164 -45.6083 -224.453 PRESSAVG: 3928200 61.5133 8.06053 2.7548 8.0606 -59.9644 -38.5241 2.75487 -38.5241 -16.3903 GPRESSAVG: 3928200 62.2137 6.3186 3.71598 7.23532 -58.5319 -36.8299 2.87889 -41.2532 -18.0383 TIMING: 3928200 CPU: 11679.7, 0.00294659/step Wall: 11679.7, 0.00294659/step, 0.877265 hours remaining, 208.984375 MB of memory in use. ENERGY: 3928200 760.1661 2135.6369 1920.5363 119.7444 -205945.6712 17530.6631 0.0000 0.0000 34483.4463 -148995.4781 301.1525 -183478.9244 -148901.0969 299.6564 -170.4705 -140.2496 557515.6500 -4.9471 -4.7855 LDB: ============= START OF LOAD BALANCING ============== 11683.3 LDB: ============== END OF LOAD BALANCING =============== 11683.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11683.3 LDB: ============= START OF LOAD BALANCING ============== 11683.6 LDB: Largest compute 4772 load 0.020527 is 17.3% of average load 0.118318 LDB: Average compute 0.001729 is 1.5% of average load 0.118318 LDB: TIME 11683.6 LOAD: AVG 0.118318 MAX 0.195061 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.535 MB LDB: TIME 11683.6 LOAD: AVG 0.118318 MAX 0.195061 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.535 MB LDB: TIME 11683.6 LOAD: AVG 0.118318 MAX 0.195061 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.535 MB LDB: ============== END OF LOAD BALANCING =============== 11683.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11683.6 PRESSURE: 3928400 -78.5588 -214.921 63.9419 -214.92 -148.317 -39.8256 63.9428 -39.8261 -63.6409 GPRESSURE: 3928400 -47.8318 -131.888 185.96 -205.244 -107.645 33.2318 36.9435 -2.87905 -46.1366 PRESSAVG: 3928400 15.5507 24.4983 -28.858 24.4983 20.7234 30.8728 -28.858 30.8728 -14.4026 GPRESSAVG: 3928400 15.0664 26.0198 -30.0654 24.0313 19.3943 27.7102 -30.7243 31.9944 -12.9663 TIMING: 3928400 CPU: 11680.3, 0.00298677/step Wall: 11680.3, 0.00298677/step, 0.889061 hours remaining, 208.082031 MB of memory in use. ENERGY: 3928400 743.3904 2091.0866 1909.6988 124.6205 -205841.0096 17691.7242 0.0000 0.0000 34181.4944 -149098.9948 298.5155 -183280.4891 -149007.8102 299.5889 -96.8388 -67.2044 558902.0117 7.2905 7.1648 PRESSURE: 3928600 -245.492 19.895 -144.111 19.8957 -130.637 2.77341 -144.111 2.77438 -153.499 GPRESSURE: 3928600 -224.849 11.4699 -209.038 -23.1327 -118.539 -48.4775 -80.5002 -9.35101 -78.5633 PRESSAVG: 3928600 -36.0231 16.8099 -18.5882 16.8098 -16.0986 26.3276 -18.5882 26.3276 21.0332 GPRESSAVG: 3928600 -36.3646 14.244 -19.6831 18.4082 -15.6185 27.2082 -16.2074 27.3023 20.7352 TIMING: 3928600 CPU: 11680.9, 0.00293775/step Wall: 11680.9, 0.00293775/step, 0.874308 hours remaining, 208.082031 MB of memory in use. ENERGY: 3928600 747.0237 2072.0466 1917.4657 120.2786 -205778.6025 17561.1234 0.0000 0.0000 34188.8816 -149171.7830 298.5800 -183360.6645 -149074.6690 299.7133 -176.5427 -140.6506 556706.8513 -10.3628 -10.4160 PRESSURE: 3928800 -236.267 -53.4951 40.4239 -53.496 52.2754 -32.1176 40.4227 -32.1166 -121.339 GPRESSURE: 3928800 -202.981 -32.4073 -35.5324 -29.2399 74.5037 -1.31473 -3.74409 -67.5711 -82.1519 PRESSAVG: 3928800 44.2776 -11.2393 -27.5582 -11.2393 -73.8004 -27.0635 -27.5581 -27.0635 87.5221 GPRESSAVG: 3928800 44.8663 -9.70634 -25.961 -10.9299 -72.6593 -26.8955 -27.5957 -27.9323 85.8396 TIMING: 3928800 CPU: 11681.5, 0.00289816/step Wall: 11681.5, 0.00289815/step, 0.862362 hours remaining, 208.082031 MB of memory in use. ENERGY: 3928800 742.5263 2088.2200 1870.3318 101.6795 -205821.4177 17531.0045 0.0000 0.0000 34415.0381 -149072.6175 300.5551 -183487.6556 -148980.4078 299.1506 -101.7768 -70.2097 557210.8686 19.3331 19.3489 PRESSURE: 3929000 -39.8232 210.994 -97.9311 210.994 -195.126 -141.33 -97.9315 -141.331 -110.281 GPRESSURE: 3929000 -21.8222 172.944 -70.0594 200.839 -142.644 -92.3743 -100.039 -90.0468 -92.9006 PRESSAVG: 3929000 -7.35203 -47.2453 -51.9695 -47.2452 -30.5889 9.51273 -51.9695 9.51273 59.2597 GPRESSAVG: 3929000 -6.28705 -46.1739 -52.8886 -47.6845 -32.0108 11.7808 -53.5026 8.129 59.9364 TIMING: 3929000 CPU: 11682.1, 0.0029336/step Wall: 11682.1, 0.0029336/step, 0.872746 hours remaining, 208.082031 MB of memory in use. ENERGY: 3929000 736.2651 2051.7435 1923.7125 116.5614 -205326.3295 17466.6333 0.0000 0.0000 33989.3667 -149042.0470 296.8376 -183031.4137 -148947.2432 299.4018 -115.0767 -85.7889 558979.6174 7.1063 7.2129 PRESSURE: 3929200 -170.914 -158.204 -139.743 -158.203 -153.758 17.1402 -139.743 17.141 -31.7547 GPRESSURE: 3929200 -120.527 -238.895 -127.156 -65.7203 -83.7951 -53.1038 -131.898 41.6806 -51.268 PRESSAVG: 3929200 -9.51405 16.1575 -41.6767 16.1576 -54.3564 -17.7584 -41.6766 -17.7584 84.0836 GPRESSAVG: 3929200 -9.80524 14.6209 -41.1262 17.3135 -54.9633 -19.2236 -43.2513 -16.0956 84.5667 TIMING: 3929200 CPU: 11682.7, 0.00295015/step Wall: 11682.7, 0.00295015/step, 0.877507 hours remaining, 208.082031 MB of memory in use. ENERGY: 3929200 744.1102 2128.3117 1933.3167 119.2610 -205501.5402 17566.5402 0.0000 0.0000 34225.7254 -148784.2750 298.9018 -183010.0004 -148685.0420 299.3135 -118.8088 -85.1968 558473.9325 6.7377 6.5994 PRESSURE: 3929400 272.285 5.58264 16.0461 5.5835 203.232 -21.8981 16.0458 -21.8987 358.645 GPRESSURE: 3929400 310.536 -22.8714 21.5675 92.3691 215.566 -2.73241 -15.4645 -24.2882 377.884 PRESSAVG: 3929400 -33.2111 31.6309 -45.0092 31.631 66.2328 -1.97616 -45.0092 -1.97616 -39.508 GPRESSAVG: 3929400 -32.7304 32.2345 -45.8855 32.0822 66.8376 -2.27452 -42.364 -3.46785 -40.9076 TIMING: 3929400 CPU: 11683.3, 0.00298101/step Wall: 11683.3, 0.00298101/step, 0.886521 hours remaining, 208.082031 MB of memory in use. ENERGY: 3929400 746.7492 2057.6980 1907.8458 109.7971 -205898.4084 17990.0931 0.0000 0.0000 34177.6943 -148908.5309 298.4823 -183086.2251 -148809.2329 300.0798 278.0538 301.3286 556205.3332 -2.1621 -2.2668 PRESSURE: 3929600 -254.161 212.796 -187.337 212.796 -50.8068 2.19282 -187.337 2.19375 -150.648 GPRESSURE: 3929600 -214.001 182.021 -237.558 167.872 -10.6701 -15.3743 -83.5928 -45.9701 -133.322 PRESSAVG: 3929600 6.1362 33.7229 -4.21771 33.723 69.5458 9.81452 -4.21769 9.81446 -50.9902 GPRESSAVG: 3929600 4.03589 33.5175 -3.31769 34.6727 70.1923 8.45823 -6.18157 12.8328 -49.5313 TIMING: 3929600 CPU: 11683.9, 0.00296462/step Wall: 11683.9, 0.00296462/step, 0.88148 hours remaining, 208.082031 MB of memory in use. ENERGY: 3929600 733.6837 2082.3635 1905.6089 95.7719 -205258.8586 17352.7411 0.0000 0.0000 34296.4809 -148792.2085 299.5197 -183088.6894 -148690.0813 300.7499 -151.8718 -119.3312 557034.5161 8.2306 8.2323 PRESSURE: 3929800 84.4373 -73.1927 144.857 -73.1928 76.29 -11.3157 144.856 -11.3149 1.94102 GPRESSURE: 3929800 113.497 -28.2116 80.149 -71.9406 88.1679 85.3367 140.693 -43.5079 67.6205 PRESSAVG: 3929800 -41.5249 -34.3688 -34.7063 -34.3689 39.7867 -30.8125 -34.7062 -30.8125 -28.4806 GPRESSAVG: 3929800 -39.8796 -33.9428 -35.9459 -35.9391 39.7747 -27.5742 -33.2819 -34.7805 -29.9661 TIMING: 3929800 CPU: 11684.4, 0.00295171/step Wall: 11684.4, 0.00295171/step, 0.877478 hours remaining, 208.082031 MB of memory in use. ENERGY: 3929800 741.0015 2088.7321 1890.4219 122.4092 -205616.8765 17659.8445 0.0000 0.0000 34332.2346 -148782.2327 299.8319 -183114.4673 -148690.4446 300.7295 54.2228 89.7619 555794.0144 -10.0729 -10.0236 PRESSURE: 3930000 33.0076 106.372 -87.9581 106.372 281.632 -48.8293 -87.9599 -48.8293 440.162 GPRESSURE: 3930000 59.5801 123.517 -95.9342 159.394 298.393 38.0966 -78.5361 -65.6192 482.628 PRESSAVG: 3930000 -2.97579 -21.4283 -56.8792 -21.4283 0.928849 4.85325 -56.8791 4.85331 18.6015 GPRESSAVG: 3930000 -3.12719 -21.9182 -58.3201 -23.2073 0.244732 3.50588 -57.5948 5.97682 19.3935 TIMING: 3930000 CPU: 11685, 0.00297526/step Wall: 11685, 0.00297526/step, 0.884312 hours remaining, 208.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3930000 692.5943 2104.5944 1912.6340 99.3257 -206264.0286 18043.9162 0.0000 0.0000 34407.5466 -149003.4175 300.4897 -183410.9640 -148908.1370 300.0135 251.6008 280.2005 555470.0282 5.5182 5.5037 PRESSURE: 3930200 -165.68 79.1459 -115.595 79.1463 -41.6479 150.021 -115.596 150.022 -100.276 GPRESSURE: 3930200 -99.6611 71.8084 40.2967 106.325 -51.1402 135.375 -198.553 163.043 -72.2633 PRESSAVG: 3930200 4.06771 -29.5886 -37.5612 -29.5887 -48.4077 45.3398 -37.5612 45.3397 21.5238 GPRESSAVG: 3930200 3.31 -31.1367 -34.8629 -26.8068 -45.8896 46.5175 -38.1144 44.312 19.9265 TIMING: 3930200 CPU: 11685.6, 0.00295526/step Wall: 11685.6, 0.00295526/step, 0.878203 hours remaining, 208.082031 MB of memory in use. ENERGY: 3930200 728.8222 2116.4025 1928.7555 116.9294 -205973.2739 17758.6729 0.0000 0.0000 34621.9991 -148701.6923 302.3625 -183323.6914 -148601.0354 300.4308 -102.5347 -74.3549 559011.3657 -7.6054 -7.5510 PRESSURE: 3930400 165.86 -109.274 52.7992 -109.275 -27.9699 92.8766 52.7983 92.8771 -123.308 GPRESSURE: 3930400 202.961 -154.209 111.335 -98.7793 6.60104 105.783 18.78 60.0512 -98.4924 PRESSAVG: 3930400 45.4157 20.8292 34.4795 20.8293 -33.0181 69.8136 34.4795 69.8136 -41.2912 GPRESSAVG: 3930400 46.1877 24.491 30.6121 20.409 -35.7839 67.9743 35.5822 70.3422 -39.3322 TIMING: 3930400 CPU: 11686.2, 0.00296235/step Wall: 11686.2, 0.00296235/step, 0.880147 hours remaining, 208.082031 MB of memory in use. ENERGY: 3930400 766.5249 2101.5318 1915.9839 116.7145 -206036.7666 17802.7266 0.0000 0.0000 34300.7016 -149032.5834 299.5566 -183333.2850 -148932.6265 300.3320 4.8605 37.0234 557737.6532 -9.6312 -9.6428 PRESSURE: 3930600 69.7632 -14.476 -43.2084 -14.4757 285.43 17.4397 -43.2086 17.4398 75.4173 GPRESSURE: 3930600 92.3668 40.4618 -24.3499 -72.3794 342.246 8.37897 -97.8393 45.9424 103.536 PRESSAVG: 3930600 -36.116 -56.1362 -31.2632 -56.1362 11.0511 14.0797 -31.2633 14.0796 5.78884 GPRESSAVG: 3930600 -36.5566 -56.2712 -28.7675 -57.4115 11.4117 13.1569 -30.5761 15.75 5.5738 TIMING: 3930600 CPU: 11686.8, 0.0029587/step Wall: 11686.8, 0.0029587/step, 0.878898 hours remaining, 208.082031 MB of memory in use. ENERGY: 3930600 741.2625 2094.4525 1936.1544 114.4820 -206126.9316 17947.3880 0.0000 0.0000 34298.1273 -148995.0649 299.5341 -183293.1921 -148897.8852 299.7830 143.5370 179.3827 558071.0719 -6.4254 -6.5237 PRESSURE: 3930800 71.6602 71.4514 -39.9063 71.4517 -228.021 83.0695 -39.9052 83.0709 -131.643 GPRESSURE: 3930800 110.226 35.4987 4.66863 70.0676 -156.797 128.684 -75.9359 40.7851 -159.626 PRESSAVG: 3930800 -13.9988 54.3533 -4.44734 54.3532 -22.7399 4.55571 -4.44735 4.55568 29.0313 GPRESSAVG: 3930800 -14.1143 50.3501 -4.14359 55.1061 -21.6671 4.29246 -5.17976 5.18223 28.2349 TIMING: 3930800 CPU: 11687.4, 0.00294344/step Wall: 11687.4, 0.00294344/step, 0.874201 hours remaining, 208.082031 MB of memory in use. ENERGY: 3930800 729.2995 2125.9549 1931.9937 106.8157 -205616.1568 17597.4940 0.0000 0.0000 34130.4267 -148994.1723 298.0695 -183124.5990 -148893.3900 299.8460 -96.0013 -68.7322 559219.3133 -2.5691 -2.5155 PRESSURE: 3931000 14.5239 178.729 165.015 178.728 -16.919 15.4829 165.015 15.4832 -177.708 GPRESSURE: 3931000 28.6302 207.26 105.128 54.4962 7.58 106.534 187.197 89.8272 -132.489 PRESSAVG: 3931000 -14.2336 -26.1985 -9.72754 -26.1985 0.889777 -6.87684 -9.72747 -6.87674 52.758 GPRESSAVG: 3931000 -13.471 -25.7857 -10.7099 -24.6039 -0.500328 -6.67132 -10.6411 -8.62888 53.7865 TIMING: 3931000 CPU: 11688, 0.00293348/step Wall: 11688, 0.00293348/step, 0.871081 hours remaining, 208.082031 MB of memory in use. ENERGY: 3931000 728.3540 2075.1389 1944.8089 132.9086 -206025.9388 17739.6989 0.0000 0.0000 34212.6689 -149192.3606 298.7877 -183405.0295 -149094.4940 298.9517 -60.0342 -32.0928 558922.8562 13.1380 13.2717 PRESSURE: 3931200 -176.643 200.216 -73.0087 200.217 -73.2487 147.094 -73.0089 147.095 -99.2871 GPRESSURE: 3931200 -123.99 230.671 -81.9808 143.494 -44.4308 32.3486 -69.6022 172.173 -85.1268 PRESSAVG: 3931200 -38.0625 -1.81638 -3.91691 -1.81644 -14.0482 15.2022 -3.91684 15.2021 23.6233 GPRESSAVG: 3931200 -38.4218 -0.357726 -2.69379 -2.27949 -13.1391 14.1938 -3.82507 14.4305 23.3534 TIMING: 3931200 CPU: 11688.6, 0.00294314/step Wall: 11688.6, 0.00294314/step, 0.873785 hours remaining, 208.082031 MB of memory in use. ENERGY: 3931200 725.9774 2055.5376 1928.7139 117.3911 -205814.9709 17579.7715 0.0000 0.0000 34380.2300 -149027.3495 300.2511 -183407.5794 -148926.4775 299.5709 -116.3929 -84.5160 559250.1775 -9.4958 -9.4025 PRESSURE: 3931400 -190.584 -65.1054 -21.039 -65.1049 68.6947 -90.9603 -21.0403 -90.9597 102.909 GPRESSURE: 3931400 -160.916 -11.0801 45.2606 -20.1152 78.4817 -134.935 41.6278 -42.4552 143.56 PRESSAVG: 3931400 13.3149 19.1229 -56.1451 19.1229 -54.4243 -9.67589 -56.1451 -9.67607 27.7795 GPRESSAVG: 3931400 13.7713 18.6572 -57.245 18.0525 -55.1072 -6.96038 -54.9851 -7.69515 27.756 TIMING: 3931400 CPU: 11689.2, 0.00296719/step Wall: 11689.2, 0.00296719/step, 0.880762 hours remaining, 208.082031 MB of memory in use. ENERGY: 3931400 745.8537 2124.7482 1920.1622 106.6108 -206042.7269 17917.2050 0.0000 0.0000 34133.4860 -149094.6610 298.0962 -183228.1470 -149003.9269 299.4023 -6.3268 20.3752 558611.2377 -4.4433 -4.5266 PRESSURE: 3931600 -127.899 -29.5145 -200.938 -29.5153 -214.115 -21.0369 -200.937 -21.0381 -217.259 GPRESSURE: 3931600 -111.767 -84.3799 -160.597 27.46 -165.997 -125.719 -250.419 33.2346 -196.608 PRESSAVG: 3931600 -15.5686 -7.01599 -47.8171 -7.01597 4.98299 7.64815 -47.8172 7.64828 -13.5477 GPRESSAVG: 3931600 -16.3591 -8.3915 -47.0332 -5.2973 5.15435 5.78271 -46.8386 6.76166 -13.4964 TIMING: 3931600 CPU: 11689.8, 0.00297535/step Wall: 11689.8, 0.00297535/step, 0.883017 hours remaining, 208.082031 MB of memory in use. ENERGY: 3931600 782.0357 2119.0456 1914.2460 111.4704 -205792.2652 17497.8485 0.0000 0.0000 34166.6535 -149200.9656 298.3859 -183367.6191 -149100.9902 299.3620 -186.4247 -158.1240 557741.1630 -8.0444 -8.2337 PRESSURE: 3931800 -86.3254 -98.3697 106.43 -98.3686 126.665 18.1068 106.43 18.1061 -226.805 GPRESSURE: 3931800 -21.7397 -153.9 199.063 -92.2428 119.293 85.7749 77.3724 -70.2308 -178.249 PRESSAVG: 3931800 28.0576 -34.3269 5.63094 -34.3269 62.9801 -12.0683 5.63104 -12.0684 -74.5538 GPRESSAVG: 3931800 29.0671 -32.207 5.91571 -36.1154 62.2918 -11.0337 3.78355 -12.1957 -74.8949 TIMING: 3931800 CPU: 11690.4, 0.00294225/step Wall: 11690.4, 0.00294225/step, 0.873032 hours remaining, 208.082031 MB of memory in use. ENERGY: 3931800 751.5559 2063.6986 1920.9744 113.3492 -205993.1069 17731.3169 0.0000 0.0000 34312.1572 -149100.0547 299.6566 -183412.2119 -149006.5702 299.0792 -62.1551 -26.8986 558004.0264 5.4946 5.4880 PRESSURE: 3932000 -143.045 -17.8059 81.0321 -17.8056 29.2471 -74.2058 81.0314 -74.2068 108.647 GPRESSURE: 3932000 -127.912 -9.55014 82.7255 -50.178 78.9639 -40.3323 -35.0933 -54.2276 140.564 PRESSAVG: 3932000 34.3818 -18.9865 -29.7041 -18.9865 9.70364 32.0544 -29.7041 32.0544 -25.3068 GPRESSAVG: 3932000 33.928 -19.1144 -30.2046 -18.2135 10.2724 32.512 -29.912 34.4218 -25.184 TIMING: 3932000 CPU: 11690.9, 0.00292341/step Wall: 11690.9, 0.00292341/step, 0.867277 hours remaining, 208.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3932000 773.9490 2118.7549 1933.3053 112.8444 -206165.1745 17896.6611 0.0000 0.0000 34122.1616 -149207.4982 297.9973 -183329.6598 -149112.6886 299.0465 -1.7170 30.5389 556534.4870 6.2595 6.3388 PRESSURE: 3932200 -287.924 82.6948 -56.6641 82.694 -12.0257 34.1736 -56.6647 34.172 104.553 GPRESSURE: 3932200 -257.779 120.705 -180.903 53.6415 1.55931 -13.7032 7.14447 1.90279 150.056 PRESSAVG: 3932200 12.7382 33.1047 18.4743 33.1047 -9.73937 16.3735 18.4743 16.3734 -30.2482 GPRESSAVG: 3932200 11.7286 32.3341 19.9148 32.7247 -9.79058 17.8076 18.5875 11.7082 -29.3231 TIMING: 3932200 CPU: 11691.5, 0.00291666/step Wall: 11691.5, 0.00291666/step, 0.865113 hours remaining, 208.082031 MB of memory in use. ENERGY: 3932200 799.5083 2108.1977 1913.2246 112.0075 -205998.5644 17726.7718 0.0000 0.0000 34013.8603 -149324.9941 297.0515 -183338.8545 -149229.1753 298.3705 -65.1322 -35.3878 557854.2004 -9.0831 -9.1284 LDB: ============= START OF LOAD BALANCING ============== 11695.1 LDB: ============== END OF LOAD BALANCING =============== 11695.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11695.1 LDB: ============= START OF LOAD BALANCING ============== 11695.4 LDB: Largest compute 4796 load 0.022199 is 18.8% of average load 0.118343 LDB: Average compute 0.001736 is 1.5% of average load 0.118343 LDB: TIME 11695.4 LOAD: AVG 0.118343 MAX 0.19711 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.109 MB LDB: TIME 11695.4 LOAD: AVG 0.118343 MAX 0.19711 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.172 MB LDB: TIME 11695.4 LOAD: AVG 0.118343 MAX 0.19711 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.172 MB LDB: ============== END OF LOAD BALANCING =============== 11695.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11695.4 PRESSURE: 3932400 -197.074 23.6775 -153.482 23.6769 -152.024 -39.1533 -153.482 -39.1523 -353.162 GPRESSURE: 3932400 -295.095 9.93408 -150.183 -55.8662 -78.7168 51.2276 -44.0271 -29.2162 -231.444 PRESSAVG: 3932400 -14.773 55.4534 43.5411 55.4534 -19.8116 28.8911 43.5412 28.8912 16.7744 GPRESSAVG: 3932400 -14.8496 54.7025 43.0493 54.5323 -18.7619 29.0722 44.2794 32.2073 16.0667 TIMING: 3932400 CPU: 11692.1, 0.00301682/step Wall: 11692.1, 0.00301682/step, 0.894654 hours remaining, 206.742188 MB of memory in use. ENERGY: 3932400 776.7107 2134.2178 1923.7633 115.2305 -205758.8770 17399.9967 0.0000 0.0000 33997.9962 -149410.9618 296.9130 -183408.9580 -149319.1646 298.3066 -234.0870 -201.7522 557521.2063 -5.9367 -5.8483 PRESSURE: 3932600 117.209 29.9632 16.3086 29.9634 65.0303 70.4537 16.3097 70.4526 -176.72 GPRESSURE: 3932600 224.272 45.7508 -31.6902 59.3417 43.9992 111.032 -29.3957 78.013 -153.709 PRESSAVG: 3932600 -51.5099 -3.05768 -45.1639 -3.05766 36.0336 13.723 -45.1638 13.7229 48.6358 GPRESSAVG: 3932600 -50.7819 -1.88571 -45.4788 -2.01246 34.8389 13.9215 -46.9723 12.4459 49.9397 TIMING: 3932600 CPU: 11692.7, 0.00297952/step Wall: 11692.7, 0.00297952/step, 0.883427 hours remaining, 206.742188 MB of memory in use. ENERGY: 3932600 747.2935 2179.9976 1904.8836 111.0106 -206421.1278 17972.5630 0.0000 0.0000 34377.3584 -149128.0211 300.2260 -183505.3795 -149035.4066 299.1095 1.8398 38.1876 558775.7183 11.0531 11.3323 PRESSURE: 3932800 -216.691 -55.5237 -75.9405 -55.5235 -342.365 146.502 -75.9407 146.503 -145.168 GPRESSURE: 3932800 -197.253 -180.335 87.2769 20.1501 -302.134 152.419 -131.41 117.309 -92.0263 PRESSAVG: 3932800 -77.7335 -22.1588 24.4397 -22.1589 12.0801 4.67414 24.4397 4.67412 54.7759 GPRESSAVG: 3932800 -77.4531 -22.2302 25.858 -23.3904 12.9739 2.25109 24.0066 5.33483 53.9733 TIMING: 3932800 CPU: 11693.3, 0.002926/step Wall: 11693.3, 0.002926/step, 0.867395 hours remaining, 206.742188 MB of memory in use. ENERGY: 3932800 760.5057 2052.8985 1926.8410 114.3093 -205775.3926 17519.3153 0.0000 0.0000 34296.6994 -149104.8233 299.5216 -183401.5228 -149006.8032 299.5759 -234.7412 -197.1380 559975.0203 -3.6258 -3.5020 PRESSURE: 3933000 -125.751 -28.1886 -45.2033 -28.1875 35.4115 -74.1497 -45.2036 -74.1488 121.817 GPRESSURE: 3933000 -27.0587 -103.113 13.9988 23.3463 55.5232 -118.503 -19.909 -59.4866 99.1265 PRESSAVG: 3933000 -35.4624 -22.2765 39.8542 -22.2765 9.24381 6.88581 39.8542 6.88561 -0.955351 GPRESSAVG: 3933000 -34.6314 -21.2387 38.3606 -21.7274 9.08664 6.66999 40.6138 6.3825 -1.36783 TIMING: 3933000 CPU: 11693.9, 0.00293121/step Wall: 11693.9, 0.00293121/step, 0.868778 hours remaining, 206.742188 MB of memory in use. ENERGY: 3933000 747.7806 2140.0411 1921.7017 112.7472 -206290.8750 17866.1121 0.0000 0.0000 34294.9351 -149207.5572 299.5062 -183502.4922 -149106.6132 299.7887 10.4926 42.5303 557758.2601 -9.0580 -8.9709 PRESSURE: 3933200 71.002 -34.5864 18.1721 -34.5856 -86.522 38.4277 18.1736 38.4267 -30.1511 GPRESSURE: 3933200 106.577 -20.3419 13.915 -56.0754 -52.4693 59.6987 51.9123 64.3963 -4.27031 PRESSAVG: 3933200 -78.7208 0.567315 -9.79843 0.567354 45.1713 0.397958 -9.79848 0.397904 60.0337 GPRESSAVG: 3933200 -78.5572 -1.60613 -9.94432 0.703469 43.9251 1.04378 -10.9034 2.5805 60.8407 TIMING: 3933200 CPU: 11694.5, 0.00290966/step Wall: 11694.5, 0.00290966/step, 0.862229 hours remaining, 206.742188 MB of memory in use. ENERGY: 3933200 738.2505 2113.0090 1926.2516 123.9887 -206017.9989 17720.5581 0.0000 0.0000 34184.7412 -149211.1999 298.5438 -183395.9411 -149118.7605 299.4698 -15.2237 16.6125 557223.5004 8.8281 8.7362 PRESSURE: 3933400 -99.0612 64.6616 23.3774 64.662 -4.38653 -102.067 23.3763 -102.067 66.4929 GPRESSURE: 3933400 -57.6936 150.924 94.1375 -60.0881 29.5534 -100.888 -27.0245 -131.952 81.1416 PRESSAVG: 3933400 8.09571 -27.3668 -43.3217 -27.3668 -8.79108 -23.0883 -43.3217 -23.0881 -11.7846 GPRESSAVG: 3933400 7.79093 -28.0485 -43.0034 -25.7636 -7.72907 -22.75 -43.5357 -24.9986 -12.8536 TIMING: 3933400 CPU: 11695.1, 0.00290838/step Wall: 11695.1, 0.00290838/step, 0.861689 hours remaining, 206.742188 MB of memory in use. ENERGY: 3933400 740.1902 2075.0825 1931.4352 105.6199 -206429.9091 17969.3400 0.0000 0.0000 34365.3291 -149242.9121 300.1210 -183608.2412 -149144.7263 299.3322 -12.3183 17.6671 558019.7136 -4.1600 -4.2639 PRESSURE: 3933600 -77.2766 -23.578 84.5369 -23.5789 -90.6809 32.6302 84.535 32.6306 17.0633 GPRESSURE: 3933600 -51.4934 -82.8308 93.5524 79.8594 -63.9282 136.758 145.433 -55.3507 54.5834 PRESSAVG: 3933600 39.9551 2.84733 -24.8405 2.84735 -14.7856 14.0604 -24.8404 14.0603 -26.6481 GPRESSAVG: 3933600 40.1826 3.14659 -25.8054 2.67989 -15.9499 14.0989 -24.3358 15.416 -26.0601 TIMING: 3933600 CPU: 11695.6, 0.00292628/step Wall: 11695.6, 0.00292628/step, 0.866828 hours remaining, 206.742188 MB of memory in use. ENERGY: 3933600 759.1869 2120.0165 1897.5399 106.6321 -206184.0170 17816.2550 0.0000 0.0000 34157.9934 -149326.3931 298.3103 -183484.3865 -149226.9107 299.6105 -50.2980 -20.2794 558189.3471 -0.4928 -0.6091 PRESSURE: 3933800 -52.704 -74.3708 41.7212 -74.3715 53.5212 135.428 41.7218 135.428 123.112 GPRESSURE: 3933800 38.9902 -48.8004 -17.4098 -1.83476 38.1654 148.062 48.3998 65.6336 143.673 PRESSAVG: 3933800 10.299 12.4392 -10.9726 12.4391 1.61468 29.6281 -10.9725 29.6281 11.4853 GPRESSAVG: 3933800 10.3046 11.9647 -11.2943 12.5801 1.8221 27.6494 -10.4074 30.8432 11.2569 TIMING: 3933800 CPU: 11696.2, 0.00295887/step Wall: 11696.2, 0.00295887/step, 0.876318 hours remaining, 206.742188 MB of memory in use. ENERGY: 3933800 736.4785 2099.7146 1927.0119 106.9596 -205953.6242 17802.3445 0.0000 0.0000 34001.6109 -149279.5043 296.9445 -183281.1152 -149179.3446 298.8039 41.3096 73.6096 558544.6704 7.7997 7.7946 PRESSURE: 3934000 241.927 -121.9 -85.7978 -121.901 184.536 -61.8113 -85.7988 -61.8113 -143.029 GPRESSURE: 3934000 317.023 -207.659 -20.4525 -83.2395 155.83 -103.371 -171.17 -114.891 -83.4826 PRESSAVG: 3934000 -21.0544 -20.2998 10.298 -20.2999 54.9068 53.9469 10.2979 53.9467 -3.98526 GPRESSAVG: 3934000 -20.6901 -21.0724 12.4116 -21.3117 54.525 54.6538 9.37897 52.4446 -4.37137 TIMING: 3934000 CPU: 11696.8, 0.0029244/step Wall: 11696.8, 0.0029244/step, 0.865946 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3934000 735.9594 2082.6518 1916.9440 102.9305 -206392.3315 17777.0598 0.0000 0.0000 34503.9092 -149272.8769 301.3312 -183776.7860 -149172.2902 299.1902 94.4780 129.7903 556643.9921 9.9557 9.8212 PRESSURE: 3934200 82.6947 21.0969 73.759 21.0968 250.155 84.6119 73.7588 84.613 55.9589 GPRESSURE: 3934200 73.8975 26.4973 36.7228 -1.86751 281.011 109.172 74.408 164.583 144.63 PRESSAVG: 3934200 -1.83066 32.3278 31.1796 32.3277 -9.57884 -6.09908 31.1796 -6.0989 46.1703 GPRESSAVG: 3934200 -2.21118 33.4072 30.6098 31.6794 -9.67365 -4.60618 34.4838 -5.33334 46.3504 TIMING: 3934200 CPU: 11697.4, 0.00291036/step Wall: 11697.4, 0.00291036/step, 0.861629 hours remaining, 206.742188 MB of memory in use. ENERGY: 3934200 751.4585 2139.2688 1914.1497 107.3118 -206275.3140 17898.5084 0.0000 0.0000 34256.6796 -149207.9374 299.1721 -183464.6169 -149106.7784 299.1679 129.6029 166.5130 556095.8285 11.5869 11.4885 PRESSURE: 3934400 0.0752824 -158.206 61.2856 -158.207 133.638 3.57287 61.2854 3.57346 45.0661 GPRESSURE: 3934400 13.8517 -113.188 -52.9429 -147.843 175.237 8.32445 138.41 26.7664 75.8814 PRESSAVG: 3934400 12.4298 -32.7326 -38.8728 -32.7326 10.8315 30.9544 -38.8727 30.9544 3.07042 GPRESSAVG: 3934400 12.0719 -32.3655 -40.0762 -31.0761 11.2963 31.4163 -40.2906 28.3926 3.37802 TIMING: 3934400 CPU: 11698, 0.00290801/step Wall: 11698, 0.00290801/step, 0.86077 hours remaining, 206.742188 MB of memory in use. ENERGY: 3934400 729.4267 2149.2164 1926.3052 129.8105 -206319.1743 17987.8590 0.0000 0.0000 34119.2460 -149277.3105 297.9719 -183396.5565 -149178.6078 298.8828 59.5933 88.3234 557745.1157 8.7772 8.9154 PRESSURE: 3934600 -285.047 13.8581 -35.1903 13.8578 -340.432 270.847 -35.1894 270.847 -241.586 GPRESSURE: 3934600 -254.993 -25.5523 1.02982 -0.281731 -239.405 258.804 -67.7804 253.052 -283.824 PRESSAVG: 3934600 -27.691 14.8358 0.710202 14.8357 -42.4527 66.1016 0.710207 66.1016 6.93485 GPRESSAVG: 3934600 -28.2322 14.5563 1.75375 13.0991 -41.1773 67.2642 -0.472171 66.4167 6.52794 TIMING: 3934600 CPU: 11698.6, 0.00291987/step Wall: 11698.6, 0.00291987/step, 0.86412 hours remaining, 206.742188 MB of memory in use. ENERGY: 3934600 741.9370 2117.4713 1922.1772 122.2351 -205812.4495 17354.3449 0.0000 0.0000 34150.2986 -149403.9853 298.2431 -183554.2839 -149302.6584 298.2617 -289.0216 -259.4073 559188.8589 -21.0696 -20.9605 PRESSURE: 3934800 -95.8456 22.657 121.723 22.6578 -116.733 82.2505 121.724 82.25 -335.171 GPRESSURE: 3934800 23.3339 72.8033 83.324 -62.886 -96.6183 55.9179 194.738 18.9903 -373.551 PRESSAVG: 3934800 24.943 -2.1857 15.4741 -2.18572 44.3327 64.964 15.4742 64.9641 -58.9713 GPRESSAVG: 3934800 26.5028 -1.99913 14.7024 -0.609061 44.0637 62.7641 15.6891 65.8686 -60.091 TIMING: 3934800 CPU: 11699.2, 0.00294976/step Wall: 11699.2, 0.00294976/step, 0.872802 hours remaining, 206.742188 MB of memory in use. ENERGY: 3934800 752.3852 2112.7103 1908.3193 114.9882 -206100.8670 17572.1016 0.0000 0.0000 34314.9398 -149325.4227 299.6809 -183640.3624 -149234.8695 298.7243 -182.5831 -148.9451 558600.5530 3.4348 3.4918 PRESSURE: 3935000 -103.033 -63.4392 40.8818 -63.4394 118.369 57.0561 40.8811 57.0554 -44.9291 GPRESSURE: 3935000 -122.359 -13.7074 24.9609 -5.02044 125.635 63.9353 -28.8862 -15.0419 50.8689 PRESSAVG: 3935000 1.58067 11.7218 -38.0456 11.7217 41.1348 -28.3015 -38.0456 -28.3016 20.2072 GPRESSAVG: 3935000 -0.0970869 13.7196 -37.3531 10.4556 40.4352 -25.5693 -37.6688 -30.1432 22.3897 TIMING: 3935000 CPU: 11699.7, 0.00295205/step Wall: 11699.7, 0.00295205/step, 0.873313 hours remaining, 206.742188 MB of memory in use. ENERGY: 3935000 715.7880 2071.4740 1908.5847 109.7218 -206355.1974 17826.7349 0.0000 0.0000 34365.8628 -149357.0312 300.1256 -183722.8940 -149260.1384 299.2663 -9.8643 18.0481 555516.4432 20.9742 20.9093 PRESSURE: 3935200 16.8941 -2.71348 -54.9718 -2.71347 88.2919 59.516 -54.9711 59.517 113.712 GPRESSURE: 3935200 21.2839 71.8094 -16.1428 -27.4035 134.044 98.5859 -96.5047 27.2715 153.126 PRESSAVG: 3935200 -51.7693 -16.3201 -114.045 -16.3203 -31.5293 0.583373 -114.045 0.583373 56.7671 GPRESSAVG: 3935200 -49.5391 -17.3732 -114.107 -15.8056 -33.3935 -1.86806 -113.024 2.72404 56.3671 TIMING: 3935200 CPU: 11700.3, 0.00293251/step Wall: 11700.3, 0.00293251/step, 0.86737 hours remaining, 206.742188 MB of memory in use. ENERGY: 3935200 758.7311 2173.5321 1924.6293 124.2623 -206438.2758 17906.0293 0.0000 0.0000 34258.9018 -149292.1900 299.1915 -183551.0918 -149202.1085 299.5015 72.9658 102.8181 555423.8491 -8.8438 -8.8552 PRESSURE: 3935400 128.198 18.3646 -109.51 18.3643 -251.535 -4.29688 -109.508 -4.29652 283.077 GPRESSURE: 3935400 194.338 -12.2075 -22.29 25.4753 -254.768 90.5502 -147.966 -73.7074 320.582 PRESSAVG: 3935400 -14.153 -17.074 -36.7282 -17.074 -40.9188 10.1685 -36.7283 10.1685 71.8098 GPRESSAVG: 3935400 -14.043 -17.4342 -36.0108 -15.817 -39.3738 11.138 -37.8878 8.80546 70.2002 TIMING: 3935400 CPU: 11700.9, 0.0029696/step Wall: 11700.9, 0.0029696/step, 0.878177 hours remaining, 206.742188 MB of memory in use. ENERGY: 3935400 784.6461 2148.2827 1939.1288 115.8132 -206760.2753 18114.4673 0.0000 0.0000 34368.9881 -149288.9489 300.1529 -183657.9371 -149198.5176 299.2734 53.2466 86.7174 555350.5400 5.5793 5.5945 PRESSURE: 3935600 -142.438 198.083 15.267 198.083 49.315 -144.008 15.2664 -144.008 31.9365 GPRESSURE: 3935600 -64.5975 230.734 -48.5971 209.707 36.0609 -160.711 80.5756 -79.9871 71.5866 PRESSAVG: 3935600 -13.4697 32.983 -67.0642 32.9831 -46.2182 10.5966 -67.0641 10.5966 79.4473 GPRESSAVG: 3935600 -13.8091 34.5374 -67.1508 31.3559 -46.4867 11.6714 -67.5155 10.4864 80.5445 TIMING: 3935600 CPU: 11701.5, 0.00300404/step Wall: 11701.5, 0.00300404/step, 0.888194 hours remaining, 206.742188 MB of memory in use. ENERGY: 3935600 744.7226 2119.4623 1892.2758 115.0296 -206097.8435 17684.2843 0.0000 0.0000 34238.3388 -149303.7303 299.0119 -183542.0691 -149205.0062 299.5305 -20.3957 14.3500 555619.4529 6.5865 6.7496 PRESSURE: 3935800 6.60714 74.5056 219.565 74.5063 165.797 -49.4323 219.566 -49.4322 -130.296 GPRESSURE: 3935800 97.3507 88.6276 157.501 20.2096 164.994 -62.4211 198.457 12.1725 -120.944 PRESSAVG: 3935800 -10.6518 -1.13692 33.6896 -1.13686 -15.7747 65.8919 33.6896 65.8918 22.7408 GPRESSAVG: 3935800 -9.4016 -2.40338 31.1522 0.532472 -16.5815 65.2862 33.6642 66.6935 22.2513 TIMING: 3935800 CPU: 11702.1, 0.00302585/step Wall: 11702.1, 0.00302585/step, 0.894475 hours remaining, 206.742188 MB of memory in use. ENERGY: 3935800 777.1788 2085.5373 1946.6307 112.3867 -206577.7855 17906.2817 0.0000 0.0000 34271.4353 -149478.3350 299.3010 -183749.7703 -149387.1877 298.4041 14.0359 47.1334 555469.8983 -1.2286 -1.2440 PRESSURE: 3936000 -93.7474 51.4545 150.273 51.4551 57.8014 -131.894 150.273 -131.892 179.715 GPRESSURE: 3936000 -72.2446 49.8605 124.82 34.3951 104.684 -133.955 244.09 -146.571 210.327 PRESSAVG: 3936000 -33.9248 22.3661 -13.4154 22.3662 17.2084 9.68954 -13.4154 9.68949 60.3944 GPRESSAVG: 3936000 -36.3122 23.4664 -10.8047 18.9161 19.4011 8.35342 -14.7745 9.69937 60.5993 TIMING: 3936000 CPU: 11702.7, 0.00299394/step Wall: 11702.7, 0.00299394/step, 0.884875 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3936000 695.2979 2131.8763 1925.1474 125.0201 -206418.1245 17785.4802 0.0000 0.0000 34299.6116 -149455.6910 299.5470 -183755.3026 -149359.7893 299.2252 47.9231 80.9223 556269.3613 14.5593 14.5627 PRESSURE: 3936200 48.8618 -36.96 -84.6328 -36.9599 225.93 -150.529 -84.6334 -150.528 93.3146 GPRESSURE: 3936200 117.148 -2.62617 -138.945 -26.0929 275.225 -103.632 -68.7402 -148.91 69.3129 PRESSAVG: 3936200 -107.05 0.430244 1.12175 0.430232 20.1706 -3.40444 1.1217 -3.40444 72.8629 GPRESSAVG: 3936200 -107.031 -1.11075 -0.345305 2.96795 20.123 -1.97122 3.53187 -4.05229 72.4462 TIMING: 3936200 CPU: 11703.3, 0.00295796/step Wall: 11703.3, 0.00295796/step, 0.874078 hours remaining, 206.742188 MB of memory in use. ENERGY: 3936200 778.7362 2133.9959 1935.7210 131.0422 -206539.0926 17914.1483 0.0000 0.0000 34336.9867 -149308.4623 299.8734 -183645.4491 -149221.4972 299.0635 122.7022 153.8951 556573.0445 -4.6723 -4.8205 LDB: ============= START OF LOAD BALANCING ============== 11706.9 LDB: ============== END OF LOAD BALANCING =============== 11706.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11706.9 LDB: ============= START OF LOAD BALANCING ============== 11707.2 LDB: Largest compute 4796 load 0.025150 is 21.3% of average load 0.118249 LDB: Average compute 0.001739 is 1.5% of average load 0.118249 LDB: TIME 11707.2 LOAD: AVG 0.118249 MAX 0.195931 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 11707.2 LOAD: AVG 0.118249 MAX 0.195931 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: TIME 11707.2 LOAD: AVG 0.118249 MAX 0.195931 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11707.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11707.2 PRESSURE: 3936400 234.844 174.909 93.1457 174.909 279.34 -187.198 93.1453 -187.199 286.801 GPRESSURE: 3936400 279.054 217.519 8.2241 132.733 301.181 -172.81 167.76 -179.392 295.594 PRESSAVG: 3936400 -60.8169 -10.5382 3.87464 -10.5382 64.3639 6.79105 3.87454 6.79111 -5.55914 GPRESSAVG: 3936400 -59.2896 -9.797 4.36195 -11.8173 62.3867 4.87729 3.14607 6.48889 -5.79964 TIMING: 3936400 CPU: 11703.9, 0.00297969/step Wall: 11703.9, 0.00297969/step, 0.880334 hours remaining, 207.253906 MB of memory in use. ENERGY: 3936400 730.6392 2136.4944 1949.4915 125.1867 -206685.4394 18108.4592 0.0000 0.0000 34176.0531 -149459.1154 298.4680 -183635.1685 -149366.3753 299.2706 266.9949 291.9428 556166.6083 -0.6707 -0.9008 PRESSURE: 3936600 -129.744 -60.4736 -65.3714 -60.4724 -112.81 -33.7462 -65.3701 -33.7466 -250.06 GPRESSURE: 3936600 -156.264 -42.1531 -14.5724 -75.6645 -51.6497 -63.6374 -108.653 -38.0974 -186.184 PRESSAVG: 3936600 -33.0201 -46.1031 55.9288 -46.1031 -24.9115 -27.1516 55.9288 -27.1517 102.945 GPRESSAVG: 3936600 -34.8027 -47.0072 57.2238 -45.7125 -24.0138 -26.916 54.3141 -23.9453 103.697 TIMING: 3936600 CPU: 11704.5, 0.00295358/step Wall: 11704.5, 0.00295358/step, 0.872456 hours remaining, 207.253906 MB of memory in use. ENERGY: 3936600 770.8305 2054.4050 1928.4407 119.2045 -206483.0036 17659.2711 0.0000 0.0000 34314.5188 -149636.3329 299.6772 -183950.8518 -149542.0273 298.6086 -164.2043 -131.3660 556634.0688 15.0044 14.9600 PRESSURE: 3936800 101.164 -19.4438 38.501 -19.443 105.689 70.0514 38.5018 70.0505 326.535 GPRESSURE: 3936800 154.967 -6.72517 84.2912 20.3807 131.796 160.128 83.8487 38.5327 347.784 PRESSAVG: 3936800 -93.4966 -28.1869 48.8707 -28.1869 -8.23991 9.74208 48.8707 9.74203 71.22 GPRESSAVG: 3936800 -92.7386 -27.9674 49.2921 -27.6321 -8.85355 12.4705 49.091 6.50595 71.2046 TIMING: 3936800 CPU: 11705.1, 0.00293733/step Wall: 11705.1, 0.00293733/step, 0.867491 hours remaining, 207.253906 MB of memory in use. ENERGY: 3936800 703.2226 2083.1526 1932.8584 113.8368 -206963.7460 18034.0292 0.0000 0.0000 34424.3558 -149672.2904 300.6365 -184096.6463 -149579.6408 298.1445 177.7962 211.5155 554777.4167 -10.1722 -10.1292 PRESSURE: 3937000 -74.0781 -129.445 -153.17 -129.447 -179.457 52.134 -153.171 52.1352 -229.523 GPRESSURE: 3937000 -75.2062 -211.064 -96.5203 -135.961 -102.962 22.3263 -118.299 49.8443 -205.301 PRESSAVG: 3937000 -48.167 -31.9143 14.9588 -31.9143 22.074 4.64035 14.9587 4.64033 7.32178 GPRESSAVG: 3937000 -48.4583 -33.7744 16.2762 -31.6749 22.0597 2.67842 15.4577 5.51983 7.22405 TIMING: 3937000 CPU: 11705.7, 0.00294157/step Wall: 11705.7, 0.00294157/step, 0.868581 hours remaining, 207.253906 MB of memory in use. ENERGY: 3937000 768.0596 2098.0654 1910.6175 119.4594 -206159.1660 17548.6111 0.0000 0.0000 34022.7427 -149691.6103 297.1291 -183714.3530 -149596.4402 298.1564 -161.0194 -127.8229 556293.0496 -6.2571 -6.3915 PRESSURE: 3937200 128.961 -80.4217 140.001 -80.4224 85.3817 -5.30577 140.002 -5.30541 235.935 GPRESSURE: 3937200 152.951 -158.767 129.767 7.31933 116.742 3.7953 165.562 67.08 259.774 PRESSAVG: 3937200 0.356583 -41.4668 -4.08938 -41.4668 -4.62678 -22.1364 -4.08942 -22.1364 -42.4695 GPRESSAVG: 3937200 1.35842 -39.5492 -6.95643 -41.8899 -5.29472 -22.6523 -1.53612 -22.1735 -43.1109 TIMING: 3937200 CPU: 11706.3, 0.00295121/step Wall: 11706.3, 0.00295121/step, 0.871262 hours remaining, 207.253906 MB of memory in use. ENERGY: 3937200 729.3521 2119.0825 1924.6576 117.9758 -206577.3621 17792.7473 0.0000 0.0000 34273.9522 -149619.5946 299.3229 -183893.5468 -149523.3546 298.1263 150.0926 176.4892 554917.3457 -15.5799 -15.6824 PRESSURE: 3937400 -352.959 -89.8038 -131.424 -89.8055 -51.2419 53.3647 -131.423 53.3652 84.4607 GPRESSURE: 3937400 -245.101 7.29118 -126.681 -178.458 -45.5513 56.1815 -114.83 68.8033 77.9853 PRESSAVG: 3937400 -37.4189 -1.46598 29.8293 -1.466 -12.2728 -17.8129 29.8293 -17.8129 26.0773 GPRESSAVG: 3937400 -37.7656 -0.1923 30.2911 -2.31924 -12.1773 -15.1077 27.1301 -16.8298 26.7674 TIMING: 3937400 CPU: 11706.9, 0.00297587/step Wall: 11706.9, 0.00297587/step, 0.878378 hours remaining, 207.253906 MB of memory in use. ENERGY: 3937400 713.7742 2052.3701 1913.9160 112.1550 -205797.6047 17544.7152 0.0000 0.0000 34058.7563 -149401.9181 297.4436 -183460.6743 -149309.3563 298.3810 -106.5801 -70.8891 557136.3916 -7.8715 -7.7252 PRESSURE: 3937600 234.887 25.5081 -12.3873 25.5082 -106.494 71.5719 -12.3874 71.5723 -188.967 GPRESSURE: 3937600 289.748 -62.0086 38.6697 2.73172 -106.205 34.3615 -48.6365 65.1427 -152.753 PRESSAVG: 3937600 -49.4643 2.1479 34.3534 2.14785 8.40488 31.1779 34.3535 31.178 10.6144 GPRESSAVG: 3937600 -48.9331 2.31894 35.4828 3.66463 8.15922 29.3847 36.6266 30.6192 10.511 TIMING: 3937600 CPU: 11707.5, 0.00297328/step Wall: 11707.5, 0.00297328/step, 0.877449 hours remaining, 207.253906 MB of memory in use. ENERGY: 3937600 745.4013 2043.3575 1938.0746 110.2808 -205946.4364 17770.9959 0.0000 0.0000 33861.0125 -149477.3137 295.7166 -183338.3262 -149383.1839 298.6287 -20.1914 10.2633 558265.0552 -10.1483 -10.0876 PRESSURE: 3937800 -279.13 182.568 -88.9744 182.567 88.5574 61.3154 -88.9741 61.3146 -96.0487 GPRESSURE: 3937800 -226.934 191.573 -96.6003 160.71 86.279 62.959 -95.194 84.183 -54.4555 PRESSAVG: 3937800 -46.0531 47.588 -3.64271 47.588 43.4091 16.8377 -3.6427 16.8377 55.4776 GPRESSAVG: 3937800 -46.4016 46.2398 -5.8744 45.9629 44.6328 14.7562 -4.39491 19.1121 54.7294 TIMING: 3937800 CPU: 11708.1, 0.00295358/step Wall: 11708.1, 0.00295358/step, 0.871469 hours remaining, 207.253906 MB of memory in use. ENERGY: 3937800 788.4815 2061.2288 1913.2809 119.3048 -206328.9501 17786.2890 0.0000 0.0000 34188.1667 -149472.1983 298.5738 -183660.3650 -149378.8661 298.2337 -95.5404 -65.0367 557566.7148 17.6112 17.6535 PRESSURE: 3938000 268.883 -39.5508 -82.8734 -39.5503 119.092 -18.7081 -82.8757 -18.7076 295.171 GPRESSURE: 3938000 332.137 -25.9001 -103.962 -56.928 140.285 25.5858 -18.6872 -34.7732 294.24 PRESSAVG: 3938000 -47.1507 -22.6574 -77.0362 -22.6575 -17.4727 51.7335 -77.0362 51.7336 35.63 GPRESSAVG: 3938000 -48.4844 -22.6882 -74.9649 -21.1982 -16.6528 54.5447 -78.4467 49.6672 36.2881 TIMING: 3938000 CPU: 11708.6, 0.00295807/step Wall: 11708.6, 0.00295807/step, 0.872631 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3938000 748.6617 2112.6625 1956.2517 116.6623 -206668.6515 18196.7125 0.0000 0.0000 34155.8938 -149381.8069 298.2919 -183537.7007 -149283.0256 298.7774 227.7150 255.5541 556805.0338 -9.6644 -9.6164 PRESSURE: 3938200 -232.743 54.2669 67.6725 54.2668 -144.904 172.192 67.6734 172.193 -207.848 GPRESSURE: 3938200 -205.441 59.1156 110.231 83.167 -138.951 126.671 99.1857 76.1734 -160.272 PRESSAVG: 3938200 56.9615 -4.81129 39.1156 -4.81132 12.9341 -22.8939 39.1157 -22.8938 -56.0874 GPRESSAVG: 3938200 56.8859 -4.39463 40.6206 -4.34587 13.198 -23.3409 37.9993 -21.5081 -56.2395 TIMING: 3938200 CPU: 11709.2, 0.0030058/step Wall: 11709.2, 0.0030058/step, 0.886544 hours remaining, 207.253906 MB of memory in use. ENERGY: 3938200 743.0480 2170.3741 1926.5111 109.0830 -206227.8824 17510.8725 0.0000 0.0000 34204.0520 -149563.9416 298.7125 -183767.9937 -149466.3159 299.4547 -195.1648 -168.2215 558018.8527 4.6027 4.6148 PRESSURE: 3938400 73.6447 -25.1504 -37.503 -25.1504 -170.015 141.255 -37.5035 141.256 -181.272 GPRESSURE: 3938400 85.7251 20.5992 -20.7523 -104.684 -110.013 119.248 -48.2575 73.5242 -161.422 PRESSAVG: 3938400 29.831 -5.30055 -47.0239 -5.30051 -14.405 -25.418 -47.0239 -25.4179 -41.9467 GPRESSAVG: 3938400 30.7476 -5.50982 -48.1632 -6.70541 -15.3021 -25.6707 -46.8375 -24.8289 -41.5187 TIMING: 3938400 CPU: 11709.8, 0.00296008/step Wall: 11709.8, 0.00296008/step, 0.872894 hours remaining, 207.253906 MB of memory in use. ENERGY: 3938400 769.5755 2044.9863 1912.2314 123.9439 -206544.6371 17761.2283 0.0000 0.0000 34288.3183 -149644.3533 299.4484 -183932.6716 -149553.8694 297.9807 -92.5471 -61.9034 557087.2522 -8.8402 -8.6911 PRESSURE: 3938600 77.6389 -130.287 168.558 -130.287 79.2074 73.7517 168.559 73.7509 -212.65 GPRESSURE: 3938600 92.4099 -152.546 131.861 -111.307 141.687 95.426 192.566 60.3206 -204.829 PRESSAVG: 3938600 36.5615 -37.2977 -4.57815 -37.2977 -7.20019 38.9818 -4.57808 38.9818 -31.0653 GPRESSAVG: 3938600 35.7612 -36.7667 -4.68019 -36.2857 -6.49524 40.6055 -2.35253 37.0038 -31.8391 TIMING: 3938600 CPU: 11710.4, 0.00294701/step Wall: 11710.4, 0.00294701/step, 0.868877 hours remaining, 207.253906 MB of memory in use. ENERGY: 3938600 709.9569 2102.4708 1934.7529 111.2430 -206539.8426 17735.0409 0.0000 0.0000 34207.6488 -149738.7292 298.7439 -183946.3780 -149645.4283 298.1502 -18.6013 9.7561 557318.4297 -0.5680 -0.8577 PRESSURE: 3938800 162.032 -112.4 -353.784 -112.4 -292.727 8.0804 -353.785 8.08055 -269.636 GPRESSURE: 3938800 205.445 -170.102 -312.884 -91.2002 -268.25 -6.91823 -351.032 -1.67467 -252.309 PRESSAVG: 3938800 53.2292 -16.1877 -37.6037 -16.1876 0.500479 -12.6212 -37.6037 -12.6212 -34.959 GPRESSAVG: 3938800 51.5869 -16.4538 -38.4769 -17.024 0.164676 -16.2739 -37.2469 -9.63753 -34.0294 TIMING: 3938800 CPU: 11711, 0.0029251/step Wall: 11711, 0.0029251/step, 0.862253 hours remaining, 207.253906 MB of memory in use. ENERGY: 3938800 731.3087 2110.6926 1909.2377 108.9279 -206448.7648 17748.8755 0.0000 0.0000 34286.3337 -149553.3886 299.4311 -183839.7223 -149455.3868 298.4960 -133.4439 -105.0382 559116.5725 6.2569 5.9074 PRESSURE: 3939000 5.20654 49.8902 -31.9094 49.8896 -146.346 -6.90389 -31.9101 -6.90377 19.8612 GPRESSURE: 3939000 36.1357 170.404 -25.971 -43.9521 -145.472 22.6216 -49.6898 41.8578 78.9632 PRESSAVG: 3939000 50.9969 33.6731 16.4148 33.6732 -24.6976 -35.84 16.4147 -35.84 14.8416 GPRESSAVG: 3939000 52.69 33.2128 16.5481 33.265 -25.5038 -35.4759 15.2881 -38.2941 13.864 TIMING: 3939000 CPU: 11711.6, 0.00295587/step Wall: 11711.6, 0.00295587/step, 0.871162 hours remaining, 207.253906 MB of memory in use. ENERGY: 3939000 734.2994 2090.4403 1937.1244 112.5477 -206171.3730 17751.4834 0.0000 0.0000 34100.6006 -149444.8772 297.8090 -183545.4777 -149342.2418 298.4872 -40.4261 -10.1245 557915.4420 13.7137 13.6834 PRESSURE: 3939200 304.661 -22.0412 -111.338 -22.0421 182.13 -83.5594 -111.338 -83.5594 130.238 GPRESSURE: 3939200 336.115 54.9084 -46.8592 -33.3912 209.391 -116.992 -203.644 -84.491 169.817 PRESSAVG: 3939200 81.3143 0.277804 2.56975 0.27771 -48.1745 -29.5661 2.56965 -29.5661 -1.16297 GPRESSAVG: 3939200 81.8779 1.25686 1.30069 0.597475 -49.1382 -26.2709 2.55959 -29.0848 -1.12028 TIMING: 3939200 CPU: 11712.2, 0.00294058/step Wall: 11712.2, 0.00294058/step, 0.866492 hours remaining, 207.253906 MB of memory in use. ENERGY: 3939200 743.2008 2074.6116 1939.4533 113.1351 -206527.9863 18047.1562 0.0000 0.0000 34325.6575 -149284.7718 299.7745 -183610.4293 -149188.9485 298.9627 205.6765 238.4411 556842.7846 10.6589 10.5398 PRESSURE: 3939400 15.8876 -82.1642 -23.0572 -82.1645 -189.633 52.1262 -23.0568 52.1264 -75.2513 GPRESSURE: 3939400 88.9312 -97.072 9.23008 -52.6169 -177.087 104.157 -70.3143 -15.3209 -56.9814 PRESSAVG: 3939400 56.0077 -36.8391 -9.31326 -36.8392 -33.424 -28.4273 -9.31324 -28.427 -19.0129 GPRESSAVG: 3939400 54.8457 -37.6183 -8.63953 -37.5745 -31.8641 -29.452 -9.91146 -29.4037 -19.362 TIMING: 3939400 CPU: 11712.8, 0.00294376/step Wall: 11712.8, 0.00294376/step, 0.867265 hours remaining, 207.253906 MB of memory in use. ENERGY: 3939400 766.6021 2120.5405 1937.6280 99.4894 -206391.3678 17886.0259 0.0000 0.0000 34141.5377 -149439.5441 298.1665 -183581.0819 -149358.6201 299.6086 -82.9990 -48.3792 557939.6366 1.1903 1.2065 PRESSURE: 3939600 161.006 -12.1436 25.4572 -12.1446 2.69004 61.2143 25.4583 61.2136 -170.577 GPRESSURE: 3939600 227.746 -0.599 120.557 5.34265 6.92024 51.3773 -48.3779 -30.7901 -134.544 PRESSAVG: 3939600 38.415 -81.7242 46.5764 -81.7243 3.56409 13.9693 46.5764 13.9692 -4.33099 GPRESSAVG: 3939600 39.0761 -80.8362 46.1728 -80.9652 3.01358 13.6762 46.9645 14.9297 -4.92178 TIMING: 3939600 CPU: 11713.4, 0.00294556/step Wall: 11713.4, 0.00294556/step, 0.867631 hours remaining, 207.253906 MB of memory in use. ENERGY: 3939600 764.1442 2002.3794 1947.8410 118.4883 -206538.9222 17993.0773 0.0000 0.0000 34231.3257 -149481.6663 298.9507 -183712.9920 -149388.7819 299.1510 -2.2937 33.3741 556283.1454 12.5494 12.3893 PRESSURE: 3939800 -199.937 -25.8527 57.8752 -25.8537 184.356 84.3719 57.8756 84.3693 192.888 GPRESSURE: 3939800 -143.786 -18.0749 51.2529 42.5468 192.74 131.633 104.286 -3.06024 220.111 PRESSAVG: 3939800 -46.6189 -23.211 39.5608 -23.211 32.9832 -29.3122 39.5608 -29.3123 17.3111 GPRESSAVG: 3939800 -47.0127 -24.0206 40.724 -21.5228 32.6889 -31.1928 39.4292 -27.6697 18.4776 TIMING: 3939800 CPU: 11714, 0.00293985/step Wall: 11714, 0.00293985/step, 0.865787 hours remaining, 207.253906 MB of memory in use. ENERGY: 3939800 750.7220 2086.4517 1929.1735 116.7286 -206196.4351 17811.6700 0.0000 0.0000 34132.1701 -149369.5191 298.0847 -183501.6892 -149272.1125 298.5423 59.1021 89.6882 556410.1961 1.2251 1.3846 PRESSURE: 3940000 -66.4439 -60.1704 -47.889 -60.1711 -226.518 108.015 -47.8891 108.016 -131.557 GPRESSURE: 3940000 -4.60632 -150.409 12.5331 -20.006 -189.75 131.541 -20.3902 125.069 -127.711 PRESSAVG: 3940000 -52.993 40.5624 -9.8891 40.5624 8.23916 26.4685 -9.88898 26.4687 9.79026 GPRESSAVG: 3940000 -53.4897 41.3734 -9.4649 38.4727 9.41808 27.0078 -10.3107 24.6728 9.15775 TIMING: 3940000 CPU: 11714.6, 0.00298104/step Wall: 11714.6, 0.00298104/step, 0.87775 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3940000 770.6328 2038.4637 1946.6283 105.6054 -205736.3902 17507.0098 0.0000 0.0000 33995.6904 -149372.3598 296.8928 -183368.0502 -149268.4792 298.8696 -141.5063 -107.3559 556116.1680 -11.6545 -11.6380 PRESSURE: 3940200 157.201 -94.3987 55.1593 -94.3978 -197.005 -101.712 55.1609 -101.713 10.7301 GPRESSURE: 3940200 221.928 -119.424 70.1554 -68.9436 -159.937 21.1704 35.4484 -162.397 5.82884 PRESSAVG: 3940200 -41.0991 -1.55394 -13.3487 -1.55391 6.1829 8.11002 -13.3487 8.10983 -9.21349 GPRESSAVG: 3940200 -40.1614 -1.41747 -11.8665 -2.36355 6.02246 8.65976 -13.4867 9.04256 -9.15089 TIMING: 3940200 CPU: 11715.1, 0.00292267/step Wall: 11715.1, 0.00292267/step, 0.8604 hours remaining, 207.253906 MB of memory in use. ENERGY: 3940200 758.3501 2112.7815 1920.4555 110.8776 -205912.0345 17716.7625 0.0000 0.0000 34074.8945 -149217.9128 297.5845 -183292.8073 -149122.5658 298.2896 -9.6911 22.6067 558200.3481 -14.7099 -14.4300 LDB: ============= START OF LOAD BALANCING ============== 11718.7 LDB: ============== END OF LOAD BALANCING =============== 11718.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11718.7 LDB: ============= START OF LOAD BALANCING ============== 11719 LDB: Largest compute 4796 load 0.022298 is 18.8% of average load 0.118348 LDB: Average compute 0.001726 is 1.5% of average load 0.118348 LDB: TIME 11719 LOAD: AVG 0.118348 MAX 0.199521 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 11719 LOAD: AVG 0.118348 MAX 0.199521 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: TIME 11719 LOAD: AVG 0.118348 MAX 0.199521 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11719 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11719 PRESSURE: 3940400 19.5359 -32.1275 158.184 -32.1273 151.514 -50.1361 158.184 -50.1339 114.441 GPRESSURE: 3940400 70.3845 -29.5176 124.265 -72.1302 165.256 -178.174 172.745 50.0457 153.426 PRESSAVG: 3940400 58.619 -8.21027 13.7208 -8.21027 -20.1548 39.3545 13.7207 39.3547 -10.3766 GPRESSAVG: 3940400 59.5442 -8.70549 11.4605 -8.37659 -21.0645 38.3088 13.6317 39.7725 -10.1911 TIMING: 3940400 CPU: 11715.7, 0.00298853/step Wall: 11715.7, 0.00298853/step, 0.879624 hours remaining, 208.023438 MB of memory in use. ENERGY: 3940400 718.0569 2067.5219 1903.3862 101.5594 -206456.4165 18043.3280 0.0000 0.0000 34333.6602 -149288.9040 299.8444 -183622.5642 -149185.2948 298.2670 95.1635 129.6889 556405.1953 9.3625 9.4295 PRESSURE: 3940600 -179.752 -14.124 175.932 -14.1231 -110.59 52.76 175.931 52.7588 -29.3693 GPRESSURE: 3940600 -107.043 -95.6428 129.371 25.7549 -81.2786 -18.4838 166.205 70.1408 -47.6806 PRESSAVG: 3940600 -49.6538 15.4099 -1.04839 15.4099 67.7263 -16.9407 -1.0484 -16.9407 -14.2621 GPRESSAVG: 3940600 -49.6528 13.7922 -1.14449 16.4031 69.3051 -16.0241 0.45664 -18.2299 -15.7919 TIMING: 3940600 CPU: 11716.3, 0.00292991/step Wall: 11716.3, 0.00292991/step, 0.862207 hours remaining, 208.023438 MB of memory in use. ENERGY: 3940600 772.0792 2138.8167 1914.9710 121.0950 -206189.7296 17705.8650 0.0000 0.0000 34080.6929 -149456.2098 297.6352 -183536.9027 -149362.4772 298.4595 -106.5705 -78.6675 556499.3855 1.2701 1.2868 PRESSURE: 3940800 -145.246 14.8821 -50.3261 14.8812 -76.1238 -129.176 -50.3259 -129.175 -142.026 GPRESSURE: 3940800 -174 57.5595 -38.1053 72.2283 -7.79141 -190.443 59.9742 -58.6005 -68.8664 PRESSAVG: 3940800 -36.1725 -24.3412 1.92132 -24.3412 0.845763 -42.8949 1.92134 -42.8949 31.8264 GPRESSAVG: 3940800 -37.0424 -20.9162 2.15369 -24.0082 -0.269467 -44.1563 2.37773 -40.7035 33.428 TIMING: 3940800 CPU: 11716.9, 0.0029362/step Wall: 11716.9, 0.0029362/step, 0.863896 hours remaining, 208.023438 MB of memory in use. ENERGY: 3940800 714.6858 2055.4270 1953.2325 107.9957 -206030.7950 17687.5293 0.0000 0.0000 34237.4171 -149274.5076 299.0039 -183511.9247 -149177.8078 298.6268 -121.1320 -83.5525 558029.7832 -1.1668 -1.2946 PRESSURE: 3941000 -77.8104 10.5223 218.895 10.522 -186.237 134.342 218.894 134.34 -100.215 GPRESSURE: 3941000 -28.6621 7.57341 231.552 67.7967 -145.992 92.2129 202.188 120.959 -92.2655 PRESSAVG: 3941000 3.33388 32.3111 28.0136 32.3111 1.22576 7.84651 28.0137 7.84644 -0.491517 GPRESSAVG: 3941000 3.2021 30.9337 28.1335 31.1177 2.65622 9.94558 27.0423 5.22393 -1.86752 TIMING: 3941000 CPU: 11717.5, 0.00293813/step Wall: 11717.5, 0.00293813/step, 0.8643 hours remaining, 208.023438 MB of memory in use. ENERGY: 3941000 744.1133 2078.1122 1919.6963 104.5084 -206239.1648 17837.9345 0.0000 0.0000 34242.0208 -149312.7794 299.0441 -183554.8002 -149211.6617 298.4975 -121.4209 -88.9733 558210.5656 1.3560 1.3303 PRESSURE: 3941200 -22.6299 -39.3009 -96.3998 -39.3008 184.091 80.0685 -96.3989 80.0694 -110.652 GPRESSURE: 3941200 -14.8125 13.9811 -119.536 -81.2054 202.368 -29.2979 -116.245 73.9745 -49.2847 PRESSAVG: 3941200 9.29758 10.8718 20.9391 10.8718 -10.8401 86.0443 20.9391 86.0442 8.4933 GPRESSAVG: 3941200 9.73205 10.5329 18.5845 10.3851 -12.0889 86.6396 22.2856 85.4425 9.33454 TIMING: 3941200 CPU: 11718.1, 0.00294168/step Wall: 11718.1, 0.00294168/step, 0.86518 hours remaining, 208.023438 MB of memory in use. ENERGY: 3941200 743.2349 2033.9311 1906.1161 100.9262 -206097.0153 17807.4031 0.0000 0.0000 34142.4983 -149362.9056 298.1749 -183505.4039 -149264.7772 298.0614 16.9363 46.0904 557572.9712 2.3169 2.3259 PRESSURE: 3941400 45.3726 130.202 191.353 130.203 -92.8914 8.70596 191.354 8.70521 280.674 GPRESSURE: 3941400 101.306 118.896 223.409 205.707 -56.4119 81.1484 167.253 -42.7378 284.633 PRESSAVG: 3941400 51.7331 47.1271 -30.2237 47.1272 -24.108 24.6619 -30.2236 24.6617 31.7585 GPRESSAVG: 3941400 51.4226 47.9808 -27.7237 46.4662 -24.3667 25.2644 -30.094 25.4643 31.6911 TIMING: 3941400 CPU: 11718.7, 0.00294451/step Wall: 11718.7, 0.00294451/step, 0.865849 hours remaining, 208.023438 MB of memory in use. ENERGY: 3941400 794.0202 2075.5048 1917.9047 114.4930 -206302.0313 17997.0843 0.0000 0.0000 34297.5478 -149105.4765 299.5290 -183403.0242 -149017.4883 299.4409 77.7183 109.8421 558006.3055 19.7945 19.5823 PRESSURE: 3941600 260.77 -9.13481 95.7912 -9.13559 -47.3961 38.7244 95.7914 38.7259 -132.744 GPRESSURE: 3941600 315.164 -74.6093 100.792 161.744 3.11989 -2.16891 73.8151 47.8377 -149.988 PRESSAVG: 3941600 -10.0149 9.88877 34.7517 9.88867 42.5182 -9.08853 34.7516 -9.08864 -10.7131 GPRESSAVG: 3941600 -9.91169 9.0427 34.1493 11.7833 42.1189 -12.6936 35.48 -7.63404 -10.5511 TIMING: 3941600 CPU: 11719.3, 0.00291819/step Wall: 11719.3, 0.00291819/step, 0.857947 hours remaining, 208.023438 MB of memory in use. ENERGY: 3941600 746.6010 2020.3640 1930.1675 123.1548 -206322.8369 17980.3755 0.0000 0.0000 34053.8259 -149468.3481 297.4005 -183522.1740 -149376.5382 298.9789 26.8767 56.0988 556224.0039 7.2634 7.2187 PRESSURE: 3941800 295.859 194.125 -12.3231 194.124 44.7716 45.6044 -12.3222 45.6029 276.659 GPRESSURE: 3941800 287.3 180.789 62.3313 164.462 127.198 58.039 -0.142895 26.1238 296.194 PRESSAVG: 3941800 47.2763 31.4475 35.6339 31.4473 11.8501 23.9798 35.6339 23.9799 -44.8735 GPRESSAVG: 3941800 46.2547 32.4032 37.4295 31.7032 13.7844 25.7024 32.0493 23.6746 -45.9576 TIMING: 3941800 CPU: 11719.8, 0.00294549/step Wall: 11719.8, 0.00294549/step, 0.865811 hours remaining, 208.023438 MB of memory in use. ENERGY: 3941800 772.5545 2072.5080 1921.2956 117.4010 -206248.5989 18048.4428 0.0000 0.0000 33894.2999 -149422.0971 296.0074 -183316.3970 -149325.6964 298.3814 205.7632 236.8971 556553.4016 4.7510 4.6938 PRESSURE: 3942000 -82.2367 -86.6614 -171.403 -86.662 -349.398 19.6633 -171.402 19.6627 -485.699 GPRESSURE: 3942000 -56.2833 -49.9415 -221.009 -119.968 -324.661 21.3713 -143.158 14.0839 -424.779 PRESSAVG: 3942000 -32.4805 19.7843 42.9357 19.7843 -19.2415 -16.3984 42.9357 -16.3984 11.4 GPRESSAVG: 3942000 -31.2745 18.5653 42.6472 21.1222 -21.6732 -17.9075 44.7509 -19.4232 12.5528 TIMING: 3942000 CPU: 11720.4, 0.00293895/step Wall: 11720.4, 0.00293895/step, 0.863726 hours remaining, 208.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3942000 778.8339 2035.1010 1912.0679 120.4854 -206160.4611 17659.1516 0.0000 0.0000 34194.3491 -149460.4723 298.6278 -183654.8214 -149362.7727 298.3245 -305.7779 -268.5745 559715.8886 -13.4407 -13.4650 PRESSURE: 3942200 -9.288 -9.17284 -85.6359 -9.17234 -284.418 -119.903 -85.6363 -119.904 -98.2355 GPRESSURE: 3942200 29.1919 -57.2929 23.8543 -33.979 -233.62 -102.249 -67.0385 -70.0022 -88.3578 PRESSAVG: 3942200 49.8519 36.8181 -0.0387835 36.8182 -68.1603 -10.5892 -0.0388088 -10.5892 30.7394 GPRESSAVG: 3942200 49.0696 37.0087 1.66498 33.6464 -66.2483 -7.69597 0.096981 -8.18333 30.1688 TIMING: 3942200 CPU: 11721, 0.00291214/step Wall: 11721, 0.00291214/step, 0.855684 hours remaining, 208.281250 MB of memory in use. ENERGY: 3942200 732.2625 2034.5266 1924.0718 111.2010 -206199.8296 17705.2345 0.0000 0.0000 34294.9966 -149397.5366 299.5067 -183692.5332 -149302.0780 299.3297 -130.6473 -97.5952 559266.3455 4.1437 4.3300 PRESSURE: 3942400 -453.927 -104.787 -17.7115 -104.787 60.3273 -172.91 -17.7111 -172.911 -31.6579 GPRESSURE: 3942400 -426.994 -113.501 -115.843 -98.0531 77.1664 -297.459 76.0351 -60.2642 18.4482 PRESSAVG: 3942400 37.8288 -30.7147 8.11743 -30.7147 18.0807 -51.8021 8.11746 -51.8023 -10.1069 GPRESSAVG: 3942400 38.2302 -29.726 6.51216 -30.4054 17.5122 -53.081 7.8304 -50.2109 -9.55663 TIMING: 3942400 CPU: 11721.6, 0.00294141/step Wall: 11721.6, 0.00294141/step, 0.86412 hours remaining, 208.281250 MB of memory in use. ENERGY: 3942400 762.0916 2077.1423 1903.5918 112.3412 -206279.6293 17751.2560 0.0000 0.0000 34267.2095 -149405.9967 299.2641 -183673.2062 -149308.6628 298.3647 -141.7525 -110.4597 559316.2783 15.2675 15.3953 PRESSURE: 3942600 170.961 -142.091 -126.156 -142.091 34.2378 32.2427 -126.155 32.2417 35.7206 GPRESSURE: 3942600 208.094 -125.252 -98.4575 -141.113 20.8839 73.3295 -151.523 -5.07537 98.806 PRESSAVG: 3942600 -52.8571 -4.49185 -23.7058 -4.49183 12.9798 -11.5968 -23.7058 -11.597 16.0315 GPRESSAVG: 3942600 -54.0836 -4.16837 -24.0494 -4.67 12.7137 -10.2241 -23.0431 -13.3624 17.4843 TIMING: 3942600 CPU: 11722.2, 0.00296639/step Wall: 11722.2, 0.00296639/step, 0.871295 hours remaining, 208.281250 MB of memory in use. ENERGY: 3942600 756.4895 2110.9756 1906.7701 122.3939 -206781.8349 18029.6848 0.0000 0.0000 34348.7280 -149506.7930 299.9760 -183855.5210 -149411.5062 298.4362 80.3066 109.2614 557504.2326 -7.9486 -7.9619 PRESSURE: 3942800 49.397 43.8546 -76.4838 43.8542 -232.234 -44.8888 -76.4829 -44.8894 -148.252 GPRESSURE: 3942800 58.0998 45.6811 -26.1139 45.5189 -162.275 -12.1148 -71.1474 20.1592 -138.098 PRESSAVG: 3942800 29.1427 28.0794 27.5637 28.0795 2.29394 -6.91205 27.5637 -6.91204 4.47503 GPRESSAVG: 3942800 28.9135 27.5413 30.1572 28.8376 3.5169 -8.82165 24.8556 -5.39515 2.97623 TIMING: 3942800 CPU: 11722.8, 0.00294603/step Wall: 11722.8, 0.00294603/step, 0.865152 hours remaining, 208.281250 MB of memory in use. ENERGY: 3942800 740.1512 2071.2301 1946.1521 112.9786 -206171.0430 17702.4546 0.0000 0.0000 34088.3966 -149509.6798 297.7024 -183598.0764 -149415.3257 298.6100 -110.3629 -80.7579 557784.7353 11.9706 11.8022 PRESSURE: 3943000 127.998 -40.5351 -59.1039 -40.535 -112.725 -22.1491 -59.1044 -22.15 5.91423 GPRESSURE: 3943000 108.119 -22.2114 -75.1929 -93.1155 -32.9934 -63.969 -114.068 31.0014 51.0912 PRESSAVG: 3943000 -10.0901 19.724 21.2998 19.7241 -14.1231 -22.2355 21.2998 -22.2354 2.29959 GPRESSAVG: 3943000 -11.1991 21.3415 20.3552 18.4296 -13.7374 -21.3727 22.6223 -23.2572 3.31723 TIMING: 3943000 CPU: 11723.4, 0.00296653/step Wall: 11723.4, 0.00296653/step, 0.871005 hours remaining, 208.281250 MB of memory in use. ENERGY: 3943000 741.4903 2105.5284 1955.6746 117.1869 -206564.6969 18019.9308 0.0000 0.0000 34138.8734 -149486.0125 298.1433 -183624.8859 -149398.1927 298.0146 7.0625 42.0722 558524.9291 -7.3045 -7.2064 PRESSURE: 3943200 -68.6495 -197.953 94.5685 -197.953 -257.901 32.0058 94.5688 32.0061 -309.39 GPRESSURE: 3943200 -43.8881 -260.199 114.496 -228.21 -229.14 -1.60804 134.635 8.66056 -278.37 PRESSAVG: 3943200 86.1432 -41.4186 -8.40166 -41.4186 -22.9265 14.0091 -8.40177 14.009 -47.7174 GPRESSAVG: 3943200 87.337 -44.2394 -8.97897 -40.2346 -24.3548 13.182 -8.36189 12.3889 -47.1298 TIMING: 3943200 CPU: 11724, 0.00295744/step Wall: 11724, 0.00295744/step, 0.868173 hours remaining, 208.281250 MB of memory in use. ENERGY: 3943200 788.0617 2032.9731 1888.9417 108.8580 -205987.7387 17511.5625 0.0000 0.0000 34239.0058 -149418.3359 299.0178 -183657.3417 -149324.7108 298.8952 -211.9801 -183.7993 557865.7040 5.1664 5.2841 PRESSURE: 3943400 9.90403 244.943 138.754 244.944 -204.352 -72.2965 138.754 -72.2967 -217.884 GPRESSURE: 3943400 68.7766 320.451 107.059 182.394 -180.736 -65.0148 184.388 -129.718 -199.075 PRESSAVG: 3943400 14.2077 -2.49308 1.53504 -2.49309 41.5179 -34.5765 1.53508 -34.5764 -30.2583 GPRESSAVG: 3943400 15.0867 -1.94138 1.9595 -2.02189 41.7489 -35.9262 4.43711 -33.8203 -30.7109 TIMING: 3943400 CPU: 11724.6, 0.00291112/step Wall: 11724.6, 0.00291112/step, 0.854413 hours remaining, 208.281250 MB of memory in use. ENERGY: 3943400 756.6281 2044.6907 1917.2216 113.1931 -206245.4282 17708.5533 0.0000 0.0000 34233.3936 -149471.7477 298.9687 -183705.1413 -149375.3910 298.2708 -137.4440 -103.6783 556736.8402 8.4891 8.7082 PRESSURE: 3943600 -100.367 190.114 82.0351 190.115 97.0854 -5.13616 82.0371 -5.13606 -237.923 GPRESSURE: 3943600 -41.0569 179.649 -2.2018 149.118 125.739 -20.3846 139.278 28.7877 -228.388 PRESSAVG: 3943600 64.4928 21.1488 28.7317 21.1487 2.61328 -44.2538 28.7317 -44.2539 -81.6147 GPRESSAVG: 3943600 64.5096 20.8209 26.8475 21.4016 2.66179 -42.7283 27.6559 -42.2153 -82.3285 TIMING: 3943600 CPU: 11725.1, 0.00291216/step Wall: 11725.1, 0.00291216/step, 0.854557 hours remaining, 208.281250 MB of memory in use. ENERGY: 3943600 750.6660 2011.1627 1925.6834 118.9383 -206226.5984 17771.0705 0.0000 0.0000 34221.7464 -149427.3310 298.8670 -183649.0774 -149327.6927 298.7654 -80.4015 -47.9017 557310.5071 -4.8362 -5.0524 PRESSURE: 3943800 39.7228 18.5124 -61.9974 18.5122 50.6735 -5.2983 -61.9972 -5.29727 133.865 GPRESSURE: 3943800 65.4717 -23.801 -129.742 86.3303 89.1402 17.9795 -90.5729 -130.694 160.403 PRESSAVG: 3943800 -30.0181 11.6093 5.05971 11.6093 26.5513 -23.9536 5.05982 -23.9536 -4.13366 GPRESSAVG: 3943800 -29.5634 11.9053 5.18683 10.3067 26.7447 -24.3064 3.19761 -24.6271 -4.65977 TIMING: 3943800 CPU: 11725.7, 0.00293342/step Wall: 11725.7, 0.00293342/step, 0.860634 hours remaining, 208.281250 MB of memory in use. ENERGY: 3943800 722.4760 2021.8175 1895.9867 112.0356 -206440.2109 18022.9457 0.0000 0.0000 34391.1321 -149273.8173 300.3463 -183664.9494 -149176.9733 298.9440 74.7536 105.0049 557250.9616 -2.5335 -2.4928 PRESSURE: 3944000 32.8307 -79.7174 -121.157 -79.7168 -47.7814 32.1506 -121.156 32.1515 45.5859 GPRESSURE: 3944000 98.3751 -53.4332 -103.551 -158.073 -61.8085 26.2665 -62.6043 -48.1582 90.0662 PRESSAVG: 3944000 -22.5433 2.09465 -30.5273 2.09466 6.25863 3.53862 -30.5273 3.53867 -17.3986 GPRESSAVG: 3944000 -23.0955 2.29976 -28.3013 2.63146 6.57092 3.2085 -27.5192 2.57793 -16.3752 TIMING: 3944000 CPU: 11726.3, 0.0029257/step Wall: 11726.3, 0.0029257/step, 0.858204 hours remaining, 208.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3944000 742.2639 2052.5515 1922.8268 110.4573 -205918.9302 17658.4950 0.0000 0.0000 34194.7008 -149237.6348 298.6308 -183432.3356 -149144.5673 299.2563 10.2117 42.2109 556275.0821 -11.2277 -10.9666 PRESSURE: 3944200 57.3834 -142.307 -81.9268 -142.309 329.605 -75.7084 -81.9279 -75.7098 150.87 GPRESSURE: 3944200 51.0171 -162.735 -86.8132 -169.106 368.416 -48.6811 -75.7641 -43.5129 217.989 PRESSAVG: 3944200 -40.9784 -17.5866 -83.0515 -17.5866 31.7555 -12.4632 -83.0515 -12.4633 10.2266 GPRESSAVG: 3944200 -40.7906 -19.1847 -84.9362 -16.5192 31.5412 -12.6529 -83.9827 -11.5328 10.3247 TIMING: 3944200 CPU: 11726.9, 0.00294257/step Wall: 11726.9, 0.00294257/step, 0.862991 hours remaining, 208.281250 MB of memory in use. ENERGY: 3944200 738.9366 2029.8071 1925.0001 104.5684 -206124.3305 18009.2554 0.0000 0.0000 34269.4325 -149047.3305 299.2835 -183316.7630 -148949.4162 300.0220 179.2860 212.4738 556929.3906 0.3346 0.3584 LDB: ============= START OF LOAD BALANCING ============== 11730.4 LDB: ============== END OF LOAD BALANCING =============== 11730.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11730.4 LDB: ============= START OF LOAD BALANCING ============== 11730.7 LDB: Largest compute 4796 load 0.023674 is 20.0% of average load 0.118273 LDB: Average compute 0.001729 is 1.5% of average load 0.118273 LDB: TIME 11730.7 LOAD: AVG 0.118273 MAX 0.196885 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 11730.7 LOAD: AVG 0.118273 MAX 0.196885 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 11730.7 LOAD: AVG 0.118273 MAX 0.196885 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11730.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11730.7 PRESSURE: 3944400 -53.0341 25.7831 104.502 25.784 128.935 22.7675 104.503 22.765 -11.2366 GPRESSURE: 3944400 34.4308 109.4 173.176 -4.25809 127.66 17.8442 5.92728 -0.929785 -0.425687 PRESSAVG: 3944400 -65.0104 -19.8801 2.15234 -19.8801 19.5106 42.383 2.15229 42.3829 36.7908 GPRESSAVG: 3944400 -64.9934 -18.7565 3.3323 -18.8351 20.1283 43.0488 -0.102106 42.4125 36.6858 TIMING: 3944400 CPU: 11727.5, 0.00299338/step Wall: 11727.5, 0.00299338/step, 0.877726 hours remaining, 207.757812 MB of memory in use. ENERGY: 3944400 736.8725 2085.3702 1936.4429 91.4001 -205839.9461 17773.7148 0.0000 0.0000 34001.1519 -149214.9936 296.9405 -183216.1455 -149119.1204 299.4204 21.5548 53.8884 556515.5937 -2.9030 -2.7264 PRESSURE: 3944600 -28.2155 86.252 9.0987 86.2525 129.848 -207.041 9.09824 -207.04 250.347 GPRESSURE: 3944600 -40.3842 110.534 -34.2718 -4.13061 210.34 -185.402 25.4461 -266.293 281.059 PRESSAVG: 3944600 -29.306 28.8493 -15.6614 28.8492 93.3515 30.7498 -15.6615 30.7497 -24.0532 GPRESSAVG: 3944600 -30.402 29.7851 -14.6403 27.8392 93.129 30.4453 -14.9718 31.01 -22.093 TIMING: 3944600 CPU: 11728.1, 0.0029551/step Wall: 11728.1, 0.0029551/step, 0.866336 hours remaining, 207.960938 MB of memory in use. ENERGY: 3944600 750.6324 2121.3287 1948.3980 92.9842 -206166.7528 17908.6053 0.0000 0.0000 34279.7032 -149065.1010 299.3732 -183344.8042 -148972.9405 299.0537 117.3266 150.3382 555575.2738 13.3308 13.5447 PRESSURE: 3944800 -89.9155 -40.8685 -206.889 -40.8687 -91.0279 233.866 -206.889 233.867 64.1247 GPRESSURE: 3944800 4.56726 47.5574 -175.115 -46.9453 -77.8201 192.658 -220.705 248.078 51.8697 PRESSAVG: 3944800 -23.6342 -12.0125 -19.0413 -12.0125 -5.75979 16.8287 -19.0413 16.8286 70.8594 GPRESSAVG: 3944800 -22.6205 -13.0338 -19.9488 -12.0139 -4.65646 17.233 -17.9813 15.4855 68.5423 TIMING: 3944800 CPU: 11728.7, 0.00295714/step Wall: 11728.7, 0.00295713/step, 0.866769 hours remaining, 207.960938 MB of memory in use. ENERGY: 3944800 761.7821 2061.8412 1920.8008 119.9764 -206081.2580 17726.9700 0.0000 0.0000 34484.3882 -149005.4993 301.1607 -183489.8875 -148915.4408 300.1148 -38.9396 -7.1277 556147.0789 13.8218 13.7551 PRESSURE: 3945000 0.658 -137.386 217.28 -137.386 92.9788 -62.5465 217.279 -62.547 44.5847 GPRESSURE: 3945000 60.8217 -184.057 176.314 -92.2007 118.957 -184.647 246.424 -10.3382 65.1343 PRESSAVG: 3945000 50.2178 16.7813 -2.21814 16.7813 -25.1938 -6.10156 -2.21828 -6.10175 -35.4428 GPRESSAVG: 3945000 50.9705 14.9043 -0.541799 17.322 -26.4682 -6.392 -4.25446 -4.43467 -34.7124 TIMING: 3945000 CPU: 11729.3, 0.00293015/step Wall: 11729.3, 0.00293015/step, 0.858697 hours remaining, 207.960938 MB of memory in use. ENERGY: 3945000 748.6414 2040.0377 1946.5631 105.1748 -206076.2023 17698.9963 0.0000 0.0000 34412.6539 -149124.1352 300.5343 -183536.7891 -149019.8701 300.7030 46.0738 81.6378 556880.7510 -3.4729 -3.4034 PRESSURE: 3945200 309.543 69.5626 36.1578 69.5623 201.161 -95.1093 36.1583 -95.1094 36.6596 GPRESSURE: 3945200 352.124 1.02014 93.6959 118.471 239.278 -79.4041 17.9765 -122.331 47.365 PRESSAVG: 3945200 59.1332 -7.8871 16.1126 -7.88717 9.83513 -3.28254 16.1127 -3.28252 -36.3356 GPRESSAVG: 3945200 59.7207 -6.35329 15.2469 -8.51187 9.56527 -2.37294 15.48 -6.23802 -36.3464 TIMING: 3945200 CPU: 11729.9, 0.00294317/step Wall: 11729.9, 0.00294317/step, 0.86235 hours remaining, 207.960938 MB of memory in use. ENERGY: 3945200 742.9301 2045.3081 1901.1953 123.1300 -206308.8050 18069.0089 0.0000 0.0000 34340.7684 -149086.4643 299.9065 -183427.2327 -148992.2031 300.4689 182.4546 212.9223 556949.7220 10.8776 10.9799 PRESSURE: 3945400 193.327 29.5185 1.5 29.52 -365.905 14.2147 1.50107 14.2145 -64.3914 GPRESSURE: 3945400 102.884 6.12869 70.1064 44.5149 -311.249 50.8212 -12.062 -116.574 66.9062 PRESSAVG: 3945400 30.5951 -14.3775 -44.3822 -14.3775 10.408 2.92985 -44.3822 2.92985 -31.1915 GPRESSAVG: 3945400 29.2171 -14.2638 -43.523 -14.3187 9.80052 2.70069 -40.9704 6.32755 -29.574 TIMING: 3945400 CPU: 11730.4, 0.0029331/step Wall: 11730.4, 0.0029331/step, 0.859235 hours remaining, 207.960938 MB of memory in use. ENERGY: 3945400 774.7003 2108.8196 1903.0792 111.5625 -206412.0261 17731.7154 0.0000 0.0000 34418.6573 -149363.4919 300.5867 -183782.1491 -149273.6731 300.0509 -78.9896 -47.1529 555714.3172 3.2705 3.1479 PRESSURE: 3945600 -455.461 -37.9435 -52.5803 -37.9437 -252.384 156.475 -52.581 156.475 -453.639 GPRESSURE: 3945600 -468.741 -27.3355 -59.0559 -40.6692 -139.755 120.026 -70.654 233.849 -441.052 PRESSAVG: 3945600 10.0674 -6.21843 -37.2071 -6.21841 10.1782 10.9028 -37.2072 10.9028 -30.6164 GPRESSAVG: 3945600 10.5251 -6.53268 -38.8956 -6.71113 11.3846 10.8528 -40.2244 8.1607 -31.3436 TIMING: 3945600 CPU: 11731, 0.00294407/step Wall: 11731, 0.00294407/step, 0.862285 hours remaining, 207.960938 MB of memory in use. ENERGY: 3945600 741.4291 2059.4892 1918.8433 106.1301 -205636.1797 17357.0901 0.0000 0.0000 34279.6365 -149173.5614 299.3726 -183453.1979 -149074.8908 299.4201 -387.1612 -349.8493 558906.8057 -3.4569 -3.1446 PRESSURE: 3945800 -135.937 -61.3812 4.88101 -61.3807 -48.667 -120.813 4.88156 -120.814 -167.885 GPRESSURE: 3945800 -72.8498 -60.6265 75.3525 -35.4759 -62.113 -102.076 19.0329 -34.1648 -124.039 PRESSAVG: 3945800 -25.7319 -14.3053 48.5906 -14.3053 -90.5204 -2.64734 48.5907 -2.64732 56.9826 GPRESSAVG: 3945800 -25.0019 -13.2381 48.9328 -15.8073 -91.8276 -2.95302 50.1329 -0.413914 57.6189 TIMING: 3945800 CPU: 11731.6, 0.00295769/step Wall: 11731.6, 0.00295769/step, 0.866109 hours remaining, 207.960938 MB of memory in use. ENERGY: 3945800 731.0991 2154.0434 1900.6630 119.3745 -206046.7346 17696.7822 0.0000 0.0000 34399.1390 -149045.6334 300.4162 -183444.7724 -148952.1970 299.7352 -117.4962 -86.3338 558633.9026 -19.7566 -19.7369 PRESSURE: 3946000 11.0748 -54.8412 -59.8709 -54.8406 -185.765 -173.414 -59.8721 -173.413 236.502 GPRESSURE: 3946000 32.7089 -46.9483 32.7448 8.0201 -202.65 -43.7247 -98.6672 -207.942 318.485 PRESSAVG: 3946000 9.1129 -29.1893 1.72764 -29.1895 -32.4839 5.22408 1.7277 5.22395 69.5784 GPRESSAVG: 3946000 8.45424 -30.7055 1.67132 -28.0193 -32.0743 6.38892 3.62703 4.46096 69.7031 TIMING: 3946000 CPU: 11732.2, 0.00294538/step Wall: 11732.2, 0.00294538/step, 0.862342 hours remaining, 207.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3946000 752.7529 2095.6971 1907.9973 105.5740 -206504.2632 17990.9408 0.0000 0.0000 34383.2534 -149268.0477 300.2775 -183651.3011 -149173.8323 299.8138 20.6041 49.5147 556071.7862 15.4025 15.3610 PRESSURE: 3946200 -295.817 -83.232 37.8403 -83.2327 -122.749 43.0646 37.8402 43.0657 134.448 GPRESSURE: 3946200 -250.849 -51.6778 93.4498 -36.1888 -69.776 110.271 2.89839 -34.242 132.308 PRESSAVG: 3946200 -11.2519 -4.91407 -11.1858 -4.91402 -115.608 -52.4935 -11.1858 -52.4935 77.0185 GPRESSAVG: 3946200 -11.5712 -3.81505 -11.7757 -4.95503 -113.79 -51.9796 -12.0665 -53.4133 75.6911 TIMING: 3946200 CPU: 11732.8, 0.0029692/step Wall: 11732.8, 0.0029692/step, 0.86915 hours remaining, 207.960938 MB of memory in use. ENERGY: 3946200 744.0374 2071.9115 1915.8200 127.4082 -206149.2532 17818.8752 0.0000 0.0000 34126.5322 -149344.6688 298.0355 -183471.2010 -149248.9727 299.6820 -94.7060 -62.7724 557899.1378 -16.6139 -16.5566 PRESSURE: 3946400 -80.3749 -64.2998 31.5006 -64.2991 -247.934 82.0171 31.501 82.0179 109.789 GPRESSURE: 3946400 -63.4701 -113.118 105.932 -21.3801 -210.02 92.8194 -18.3904 -1.64932 142.578 PRESSAVG: 3946400 33.8429 17.9284 61.9243 17.9285 0.277616 51.4479 61.9243 51.4478 -24.3515 GPRESSAVG: 3946400 34.44 18.1343 62.8271 16.9274 -0.891231 49.5979 61.824 50.6807 -23.864 TIMING: 3946400 CPU: 11733.4, 0.00296755/step Wall: 11733.4, 0.00296755/step, 0.868503 hours remaining, 207.960938 MB of memory in use. ENERGY: 3946400 770.9820 2050.6811 1907.1915 106.4626 -205982.3250 17688.1250 0.0000 0.0000 34102.1055 -149356.7773 297.8222 -183458.8829 -149264.5578 299.2833 -72.8401 -43.6374 557451.5889 3.2563 3.2283 PRESSURE: 3946600 -209.285 28.1714 19.5515 28.1719 -70.5293 182.72 19.5513 182.72 30.6334 GPRESSURE: 3946600 -195.223 28.1387 31.8764 47.8547 -67.9265 185.389 49.8094 200.034 99.2066 PRESSAVG: 3946600 48.2597 -21.8224 3.81538 -21.8225 -62.3142 37.8486 3.81536 37.8487 46.8406 GPRESSAVG: 3946600 48.8453 -21.0444 2.11642 -21.8861 -62.2176 40.7676 3.87277 35.6543 46.2975 TIMING: 3946600 CPU: 11734, 0.00297608/step Wall: 11734, 0.00297608/step, 0.870833 hours remaining, 207.960938 MB of memory in use. ENERGY: 3946600 748.1876 2101.3042 1942.3113 108.5910 -206109.0850 17663.7380 0.0000 0.0000 34201.0037 -149343.9493 298.6859 -183544.9530 -149246.5198 298.1295 -83.0604 -54.6477 557785.0923 10.9287 10.9751 PRESSURE: 3946800 -71.8197 -142.69 0.591752 -142.691 -160 5.54255 0.592021 5.5425 -113.322 GPRESSURE: 3946800 -81.1716 -132.721 37.1462 -111.188 -66.2899 -20.6211 -38.0763 12.5504 -108.005 PRESSAVG: 3946800 -0.591662 46.5569 37.9009 46.557 -55.7381 20.9169 37.901 20.9169 51.501 GPRESSAVG: 3946800 0.180067 47.4288 38.9292 47.0583 -56.2612 16.6287 34.3903 23.8617 51.2465 TIMING: 3946800 CPU: 11734.6, 0.0029489/step Wall: 11734.6, 0.0029489/step, 0.862717 hours remaining, 207.960938 MB of memory in use. ENERGY: 3946800 758.1777 2115.0867 1915.4735 105.4658 -206181.1830 17825.5022 0.0000 0.0000 34280.7010 -149180.7759 299.3819 -183461.4769 -149086.3646 299.3285 -115.0472 -85.1554 558609.1515 -1.6096 -1.6115 PRESSURE: 3947000 65.0911 3.6474 -15.3528 3.64753 87.8012 9.05728 -15.3513 9.05743 204.063 GPRESSURE: 3947000 103.466 44.3887 43.8647 -9.72055 144.593 -39.2714 24.0482 4.10521 205.884 PRESSAVG: 3947000 21.356 25.1341 17.7758 25.1342 12.5829 4.02149 17.7758 4.02155 -29.3309 GPRESSAVG: 3947000 19.5306 23.9697 17.8291 26.0179 13.6161 5.78721 19.9852 4.88138 -28.4784 TIMING: 3947000 CPU: 11735.2, 0.00293756/step Wall: 11735.2, 0.00293756/step, 0.859235 hours remaining, 207.960938 MB of memory in use. ENERGY: 3947000 729.5098 2030.8336 1948.3996 127.1731 -206472.1627 18078.1962 0.0000 0.0000 34375.1561 -149182.8942 300.2068 -183558.0504 -149080.1741 299.2719 118.9849 151.3144 556980.3690 1.5360 1.5561 PRESSURE: 3947200 135.433 267.082 85.046 267.081 246.019 164.665 85.0454 164.664 48.9582 GPRESSURE: 3947200 169.495 249.553 137.299 252.763 268.432 116.938 76.9503 138.436 88.8546 PRESSAVG: 3947200 22.3274 19.1998 -0.559945 19.1998 22.0909 11.9642 -0.559921 11.9642 -10.41 GPRESSAVG: 3947200 23.23 18.8041 -1.73834 19.3285 21.8181 10.6973 -1.11368 12.0375 -11.4265 TIMING: 3947200 CPU: 11735.8, 0.00291711/step Wall: 11735.8, 0.00291711/step, 0.853093 hours remaining, 207.960938 MB of memory in use. ENERGY: 3947200 759.8041 2092.9405 1910.7578 107.7807 -206417.0390 17978.8767 0.0000 0.0000 34430.2025 -149136.6767 300.6875 -183566.8792 -149034.9332 299.4981 143.4701 175.5940 557156.2292 11.3361 11.2072 PRESSURE: 3947400 62.1651 62.3511 34.3569 62.3516 119.164 143.791 34.3553 143.791 102.455 GPRESSURE: 3947400 105.166 44.999 20.9623 72.7872 158.479 119.255 46.5678 166.235 105.483 PRESSAVG: 3947400 15.4475 -35.0432 13.9314 -35.0433 -18.9467 59.9883 13.9313 59.9882 9.90611 GPRESSAVG: 3947400 14.764 -35.6963 12.4237 -34.8515 -19.5867 60.8109 15.9665 57.5012 11.0244 TIMING: 3947400 CPU: 11736.3, 0.00292051/step Wall: 11736.3, 0.00292051/step, 0.853926 hours remaining, 207.960938 MB of memory in use. ENERGY: 3947400 759.2925 2127.4894 1910.9524 110.0173 -206404.2623 18027.0821 0.0000 0.0000 34187.9453 -149281.4832 298.5718 -183469.4286 -149191.3265 299.2089 94.5948 123.0422 557927.5126 2.1356 2.0672 PRESSURE: 3947600 -127.552 -16.0528 -47.6678 -16.0521 12.2926 -83.5436 -47.6669 -83.5434 -159.335 GPRESSURE: 3947600 -73.5885 -76.0025 -104.031 -6.16871 47.7577 -148.633 -13.2699 -67.1748 -150.153 PRESSAVG: 3947600 -14.6741 -6.94953 -33.6421 -6.94947 -65.5203 -17.8156 -33.6422 -17.8156 61.3701 GPRESSAVG: 3947600 -14.0134 -6.8793 -31.8802 -7.64965 -64.2482 -19.4584 -34.7329 -14.2116 59.4665 TIMING: 3947600 CPU: 11736.9, 0.00293509/step Wall: 11736.9, 0.00293509/step, 0.858024 hours remaining, 207.960938 MB of memory in use. ENERGY: 3947600 722.0539 2079.8808 1902.9221 123.1015 -206340.4466 17851.5500 0.0000 0.0000 34247.7797 -149413.1586 299.0944 -183660.9382 -149320.3205 298.6807 -91.5316 -58.6612 558284.5380 -6.2748 -6.2650 PRESSURE: 3947800 -75.7245 144.22 35.553 144.221 10.7943 15.2697 35.5543 15.2699 6.79843 GPRESSURE: 3947800 -35.4744 125.819 28.8299 171.918 44.0482 28.3339 55.807 -57.1082 19.6271 PRESSAVG: 3947800 -33.2414 -10.6055 42.4142 -10.6054 40.5042 -13.1056 42.4143 -13.1056 -32.2569 GPRESSAVG: 3947800 -33.3979 -9.28032 43.5875 -10.9179 39.2821 -9.45139 40.4829 -15.0436 -31.064 TIMING: 3947800 CPU: 11737.5, 0.00294794/step Wall: 11737.5, 0.00294794/step, 0.861617 hours remaining, 207.960938 MB of memory in use. ENERGY: 3947800 722.5606 2060.8353 1932.5055 115.9769 -206423.6626 17858.7393 0.0000 0.0000 34295.7223 -149437.3227 299.5131 -183733.0450 -149332.1044 299.2854 -19.3773 9.4003 558310.6938 -8.3314 -8.3933 PRESSURE: 3948000 66.4881 -68.9023 -51.4556 -68.9031 -47.5852 32.1534 -51.455 32.1551 35.2135 GPRESSURE: 3948000 54.1448 -154.036 -91.6948 15.5138 -7.47856 89.0001 -11.5141 0.714441 112.76 PRESSAVG: 3948000 -61.8548 -45.0392 4.842 -45.0392 29.7549 -11.9804 4.84204 -11.9803 -16.7982 GPRESSAVG: 3948000 -61.4001 -45.9504 2.57952 -43.2356 29.7378 -13.2227 7.35336 -11.0259 -17.0503 TIMING: 3948000 CPU: 11738.1, 0.00292318/step Wall: 11738.1, 0.00292318/step, 0.854218 hours remaining, 207.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3948000 747.2550 2080.9428 1905.9820 122.7714 -206358.5251 18032.4845 0.0000 0.0000 34149.0248 -149320.0646 298.2319 -183469.0894 -149226.3400 298.7255 18.0388 53.1421 559200.8749 -16.2993 -16.2375 PRESSURE: 3948200 -35.6466 -56.2029 100.758 -56.2036 121.05 -91.9937 100.759 -91.9925 -167.381 GPRESSURE: 3948200 49.6651 -82.5675 135.341 -86.3186 165.917 -115.556 61.664 -87.5854 -211.276 PRESSAVG: 3948200 -51.4968 -16.7837 39.8063 -16.7836 -8.52363 34.9491 39.8062 34.9491 61.2327 GPRESSAVG: 3948200 -51.6403 -14.3312 40.3256 -20.6993 -7.5503 34.1722 40.1712 35.5248 60.8201 TIMING: 3948200 CPU: 11738.7, 0.00292464/step Wall: 11738.7, 0.00292464/step, 0.854481 hours remaining, 207.960938 MB of memory in use. ENERGY: 3948200 736.4869 2111.1909 1931.5627 94.6778 -206118.7902 17617.5617 0.0000 0.0000 34337.0155 -149290.2947 299.8737 -183627.3102 -149196.1489 299.5065 -27.3258 1.4352 557882.9819 0.4041 0.5432 LDB: ============= START OF LOAD BALANCING ============== 11742.2 LDB: ============== END OF LOAD BALANCING =============== 11742.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11742.2 LDB: ============= START OF LOAD BALANCING ============== 11742.5 LDB: Largest compute 4796 load 0.023197 is 19.6% of average load 0.118239 LDB: Average compute 0.001731 is 1.5% of average load 0.118239 LDB: TIME 11742.5 LOAD: AVG 0.118239 MAX 0.195951 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 11742.5 LOAD: AVG 0.118239 MAX 0.195951 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 11742.5 LOAD: AVG 0.118239 MAX 0.195951 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: ============== END OF LOAD BALANCING =============== 11742.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11742.5 PRESSURE: 3948400 -119.08 -187.941 -120.2 -187.941 -230.919 160.625 -120.201 160.625 -127.7 GPRESSURE: 3948400 -158.167 -137.866 -93.6608 -177.607 -102.33 123.739 -103.473 207.872 -101.239 PRESSAVG: 3948400 -8.13582 -46.7928 -14.6613 -46.7928 28.6486 53.8261 -14.6613 53.8261 -3.78729 GPRESSAVG: 3948400 -8.49521 -48.2204 -15.5475 -44.077 29.2416 54.526 -15.8473 55.3585 -4.35019 TIMING: 3948400 CPU: 11739.3, 0.0029986/step Wall: 11739.3, 0.0029986/step, 0.875925 hours remaining, 207.757812 MB of memory in use. ENERGY: 3948400 731.8708 2091.9572 1918.2000 102.5529 -206078.6453 17649.2833 0.0000 0.0000 34264.1672 -149320.6140 299.2375 -183584.7812 -149221.5189 299.5775 -159.2328 -120.5789 557723.2710 5.5752 5.4654 PRESSURE: 3948600 33.1721 -38.6471 -67.8348 -38.6465 119.884 80.8864 -67.8348 80.8863 -33.9719 GPRESSURE: 3948600 77.0446 35.2552 8.08743 -28.0228 145.426 116.193 -128.45 83.1949 -11.2355 PRESSAVG: 3948600 6.47889 -50.8324 36.1548 -50.8324 -26.6374 43.8129 36.1549 43.8129 -20.9812 GPRESSAVG: 3948600 6.39223 -51.4023 36.3374 -51.4925 -28.2175 44.5358 36.2781 40.5886 -19.7112 TIMING: 3948600 CPU: 11739.9, 0.00294915/step Wall: 11739.9, 0.00294915/step, 0.861315 hours remaining, 207.757812 MB of memory in use. ENERGY: 3948600 751.2642 2053.1647 1927.2789 104.7833 -206283.0251 17850.0373 0.0000 0.0000 34416.2828 -149180.2138 300.5660 -183596.4966 -149080.8951 299.5373 39.6946 70.4118 556839.8911 -13.7132 -13.8455 PRESSURE: 3948800 -198.418 -131.778 -91.9681 -131.777 94.1037 -31.8653 -91.9672 -31.8652 5.56692 GPRESSURE: 3948800 -125.813 -149.496 -68.5374 -132.693 108.079 -20.2572 -35.3883 -68.6544 11.9959 PRESSAVG: 3948800 38.8156 -56.543 -38.0259 -56.5429 -16.1805 -12.6289 -38.026 -12.629 -4.66634 GPRESSAVG: 3948800 39.3035 -55.9416 -37.234 -58.0665 -14.624 -12.2679 -39.102 -11.4793 -6.2851 TIMING: 3948800 CPU: 11740.5, 0.00295811/step Wall: 11740.5, 0.00295811/step, 0.863769 hours remaining, 207.757812 MB of memory in use. ENERGY: 3948800 787.4326 2079.9309 1947.7466 115.3890 -206107.9349 17776.2896 0.0000 0.0000 34323.7637 -149077.3825 299.7580 -183401.1461 -148979.0816 299.8903 -32.9157 -1.9127 558015.3649 5.9896 6.1315 PRESSURE: 3949000 -74.6493 75.5356 39.9876 75.5368 22.5044 -32.9645 39.9872 -32.9651 148.322 GPRESSURE: 3949000 -53.898 96.6268 68.7504 83.0571 30.7828 -56.3164 6.1857 57.8772 197.039 PRESSAVG: 3949000 34.7093 -17.3383 33.6293 -17.3383 -24.6812 -24.1459 33.6293 -24.1459 25.4781 GPRESSAVG: 3949000 34.3288 -17.9414 33.3186 -15.2597 -25.3802 -25.0787 35.1966 -25.5635 26.4584 TIMING: 3949000 CPU: 11741.1, 0.00294332/step Wall: 11741.1, 0.00294332/step, 0.859285 hours remaining, 207.757812 MB of memory in use. ENERGY: 3949000 784.8636 2090.8088 1924.0086 112.7418 -206437.0895 18061.2152 0.0000 0.0000 34289.5752 -149173.8763 299.4594 -183463.4515 -149083.3036 299.9376 32.0592 57.9747 559114.3295 11.8354 11.8024 PRESSURE: 3949200 -16.9558 -117.53 -81.3517 -117.53 -119.822 -70.0712 -81.3517 -70.071 -27.4784 GPRESSURE: 3949200 31.9159 -117.914 -107.349 -62.2897 -119.888 -60.9664 -131.221 -91.7391 22.1406 PRESSAVG: 3949200 21.6042 8.17592 -2.3935 8.17586 -21.7898 -23.1919 -2.3935 -23.1919 47.1113 GPRESSAVG: 3949200 20.6047 9.90342 -1.92669 7.66709 -20.506 -22.6452 -2.3667 -23.1075 46.8832 TIMING: 3949200 CPU: 11741.6, 0.00293505/step Wall: 11741.6, 0.00293505/step, 0.856708 hours remaining, 207.757812 MB of memory in use. ENERGY: 3949200 753.7472 2140.9068 1908.4862 117.1941 -205953.8763 17714.6850 0.0000 0.0000 34212.2743 -149106.5828 298.7843 -183318.8571 -149009.2567 299.5621 -54.7521 -21.9439 558337.5451 15.6419 15.6606 PRESSURE: 3949400 33.8847 33.4439 132.485 33.4434 -35.8016 -131.746 132.485 -131.746 -46.4485 GPRESSURE: 3949400 56.759 59.239 214.16 -96.0926 68.5581 -167.927 98.6997 -186.485 -81.8489 PRESSAVG: 3949400 38.914 52.3021 12.3871 52.3021 -18.5951 -40.6821 12.3871 -40.6821 -12.8246 GPRESSAVG: 3949400 39.3874 50.3981 10.684 51.995 -19.5723 -38.3256 10.7918 -40.1385 -12.1594 TIMING: 3949400 CPU: 11742.2, 0.00294267/step Wall: 11742.2, 0.00294267/step, 0.858768 hours remaining, 207.757812 MB of memory in use. ENERGY: 3949400 744.3781 2083.1941 1934.2459 115.1903 -205756.9624 17643.4877 0.0000 0.0000 34212.4601 -149024.0063 298.7859 -183236.4663 -148931.9486 299.1117 -16.1218 14.4894 558326.0367 2.4981 2.5519 PRESSURE: 3949600 -150.953 -54.9652 146.648 -54.9657 -69.8032 -84.6708 146.647 -84.6709 126.066 GPRESSURE: 3949600 -139.723 -91.4277 116.249 -69.5965 -22.5825 -128.13 224.911 -92.8859 162.357 PRESSAVG: 3949600 14.2493 -41.5186 73.6657 -41.5186 -3.41894 0.120512 73.6657 0.120571 -27.6215 GPRESSAVG: 3949600 13.6275 -41.7565 76.1994 -40.9583 -2.6089 -1.57579 74.0518 -0.0360843 -27.6032 TIMING: 3949600 CPU: 11742.8, 0.00292912/step Wall: 11742.8, 0.00292912/step, 0.854652 hours remaining, 207.757812 MB of memory in use. ENERGY: 3949600 761.1473 2033.3788 1936.9979 125.8043 -205986.6991 17811.8055 0.0000 0.0000 34261.1635 -149056.4018 299.2113 -183317.5653 -148964.8316 299.7075 -31.5634 0.0171 558211.6262 -5.5970 -5.5282 PRESSURE: 3949800 -322.393 64.2717 -79.4559 64.271 -111.854 58.9611 -79.4584 58.9629 149.712 GPRESSURE: 3949800 -296.124 11.8145 -40.392 44.9296 -58.0899 164.41 -155.38 -30.4756 177.049 PRESSAVG: 3949800 -32.818 29.6006 51.8365 29.6006 12.0694 5.36811 51.8365 5.36802 78.186 GPRESSAVG: 3949800 -32.5549 30.1962 50.2957 29.8992 11.5108 7.54649 52.6426 4.51702 78.1462 TIMING: 3949800 CPU: 11743.4, 0.00292545/step Wall: 11743.4, 0.00292545/step, 0.85342 hours remaining, 207.757812 MB of memory in use. ENERGY: 3949800 729.9944 2058.7095 1918.7216 116.6024 -205800.5958 17750.2488 0.0000 0.0000 34216.3122 -149010.0068 298.8196 -183226.3190 -148912.4785 300.7170 -94.8448 -59.0549 559325.8647 19.1458 19.0340 PRESSURE: 3950000 61.3665 183.501 -129.987 183.502 -53.9519 -2.9708 -129.987 -2.96969 18.4982 GPRESSURE: 3950000 75.012 227.896 -126.869 169.687 -31.3775 3.91092 -243.801 -51.098 76.8741 PRESSAVG: 3950000 8.4539 -17.5908 -4.15529 -17.5907 -126.12 -12.7315 -4.15524 -12.7316 103.888 GPRESSAVG: 3950000 8.15358 -16.943 -6.3999 -18.9204 -125.04 -13.7964 -3.14816 -10.8742 102.798 TIMING: 3950000 CPU: 11744, 0.00294384/step Wall: 11744, 0.00294384/step, 0.85862 hours remaining, 207.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3950000 748.8672 2060.4967 1907.4769 112.2960 -206021.5218 17743.3338 0.0000 0.0000 34400.1161 -149048.9351 300.4248 -183449.0512 -148944.0481 300.0541 8.6376 40.1695 556905.0028 -4.5927 -4.6962 PRESSURE: 3950200 47.3247 -107.965 -65.4611 -107.964 122.698 4.11947 -65.4589 4.12059 -294.316 GPRESSURE: 3950200 59.0065 -145.542 -26.3936 -39.7433 204.044 110.01 -129.759 -95.911 -292.94 PRESSAVG: 3950200 -3.85133 25.5248 -24.0777 25.5248 2.28123 22.2952 -24.0777 22.2951 -52.0944 GPRESSAVG: 3950200 -3.3849 24.0182 -21.9297 26.058 2.62444 24.1089 -25.3687 21.0245 -52.6641 TIMING: 3950200 CPU: 11744.6, 0.00292478/step Wall: 11744.6, 0.00292478/step, 0.852898 hours remaining, 207.757812 MB of memory in use. ENERGY: 3950200 762.3996 2030.6501 1931.0955 115.1592 -206068.9871 17760.0423 0.0000 0.0000 34312.4020 -149157.2385 299.6587 -183469.6405 -149064.3291 299.6271 -41.4311 -9.9628 556301.4437 -17.8882 -17.8082 PRESSURE: 3950400 71.3218 38.0314 -38.4293 38.0312 -320.177 -90.8175 -38.4291 -90.8178 -19.3848 GPRESSURE: 3950400 87.7449 -52.9613 -50.4044 14.9484 -313.136 -80.5636 -58.8158 -91.3531 54.1907 PRESSAVG: 3950400 29.7691 -60.6734 24.2879 -60.6734 36.9943 -58.0023 24.2879 -58.0024 -35.2656 GPRESSAVG: 3950400 30.265 -60.2316 25.0683 -62.1973 36.1008 -61.0245 24.3159 -57.1627 -34.829 TIMING: 3950400 CPU: 11745.2, 0.00294312/step Wall: 11745.2, 0.00294312/step, 0.858083 hours remaining, 207.757812 MB of memory in use. ENERGY: 3950400 756.3351 2063.5978 1912.5487 108.9238 -205956.7286 17734.4004 0.0000 0.0000 34195.5897 -149185.3332 298.6386 -183380.9229 -149086.2188 298.8328 -89.4133 -57.0667 557798.2604 10.4993 10.5123 PRESSURE: 3950600 -70.39 93.8054 -147.501 93.8057 -66.2479 92.706 -147.499 92.7045 -233.58 GPRESSURE: 3950600 0.773457 32.1437 -144.77 125.698 -76.9758 131.02 -66.7524 40.6935 -192.172 PRESSAVG: 3950600 4.39727 -19.4328 10.4946 -19.4328 -1.8223 27.947 10.4946 27.947 1.55626 GPRESSAVG: 3950600 3.99509 -18.8775 8.75642 -17.6767 -2.10523 29.4018 11.1024 27.1172 2.23067 TIMING: 3950600 CPU: 11745.8, 0.00295823/step Wall: 11745.8, 0.00295823/step, 0.862323 hours remaining, 207.757812 MB of memory in use. ENERGY: 3950600 780.9211 2142.5381 1909.5952 121.3400 -206168.0151 17749.3067 0.0000 0.0000 34123.5554 -149340.7586 298.0095 -183464.3140 -149244.7213 298.6875 -123.4059 -89.4582 556597.5787 1.3771 1.3735 PRESSURE: 3950800 78.84 146.529 -126.128 146.529 215.184 143.923 -126.129 143.924 224.136 GPRESSURE: 3950800 140.901 123.76 6.735 181.511 199.809 97.9932 -171.292 119.069 275.637 PRESSAVG: 3950800 -3.46203 37.2059 -28.0923 37.2058 25.462 -10.7757 -28.0923 -10.7757 -23.4319 GPRESSAVG: 3950800 -2.5719 36.4456 -25.7803 36.5953 24.7475 -11.7646 -29.4081 -10.542 -23.4263 TIMING: 3950800 CPU: 11746.3, 0.00294733/step Wall: 11746.3, 0.00294733/step, 0.858982 hours remaining, 207.757812 MB of memory in use. ENERGY: 3950800 768.1290 2051.0928 1912.3696 98.5139 -206417.2837 18061.4572 0.0000 0.0000 34245.1677 -149280.5534 299.0716 -183525.7212 -149177.5529 298.9328 172.7202 205.4489 556861.4717 -0.4773 -0.4169 PRESSURE: 3951000 112.219 -33.8028 -17.8301 -33.8026 -38.8964 -71.2617 -17.828 -71.2616 122.955 GPRESSURE: 3951000 193.39 -12.9442 -18.3064 -11.6406 -30.1725 -80.0179 -39.3466 -21.57 124.036 PRESSAVG: 3951000 6.49486 -34.9478 7.40856 -34.9478 -12.9077 -27.5981 7.40857 -27.5983 14.2529 GPRESSAVG: 3951000 6.30647 -35.4773 7.48948 -33.535 -12.4694 -29.4214 6.39364 -26.7658 13.959 TIMING: 3951000 CPU: 11746.9, 0.00294177/step Wall: 11746.9, 0.00294177/step, 0.857199 hours remaining, 207.757812 MB of memory in use. ENERGY: 3951000 737.5473 2008.9688 1930.2126 114.3638 -206243.6228 18044.8686 0.0000 0.0000 34221.5356 -149186.1261 298.8652 -183407.6618 -149095.2473 298.3420 65.4262 95.7511 558249.0471 2.6134 2.5987 PRESSURE: 3951200 198.985 29.7075 -77.3029 29.7091 140.078 -47.4396 -77.3026 -47.441 -80.2822 GPRESSURE: 3951200 270.416 44.3199 13.7809 -33.6267 137.597 -10.7146 -234.079 -63.5119 -58.9547 PRESSAVG: 3951200 62.6462 -29.6174 65.0211 -29.6175 -11.0854 26.1401 65.0211 26.1401 -4.31568 GPRESSAVG: 3951200 63.5088 -29.13 64.029 -32.8538 -10.484 29.3372 66.0328 25.4896 -5.99893 TIMING: 3951200 CPU: 11747.5, 0.00291581/step Wall: 11747.5, 0.00291581/step, 0.849472 hours remaining, 207.757812 MB of memory in use. ENERGY: 3951200 737.2571 2068.6016 1939.3427 107.0565 -206224.6937 17848.1049 0.0000 0.0000 34072.9563 -149451.3744 297.5676 -183524.3307 -149352.1374 298.9005 86.2602 116.3526 557492.4078 15.7483 15.6753 PRESSURE: 3951400 -44.4625 -45.3217 -11.5883 -45.3216 -117.214 -9.43615 -11.59 -9.43681 -84.8478 GPRESSURE: 3951400 51.7211 -46.9593 12.7266 -96.5643 -79.2584 -16.8786 88.2028 66.041 -122.896 PRESSAVG: 3951400 -38.8205 -67.5321 29.1248 -67.5321 12.3888 9.32143 29.1248 9.32129 -18.2104 GPRESSAVG: 3951400 -40.6758 -65.9465 27.7787 -65.8481 12.3851 8.24623 29.8573 10.3107 -16.168 TIMING: 3951400 CPU: 11748.1, 0.00293997/step Wall: 11748.1, 0.00293997/step, 0.856349 hours remaining, 207.757812 MB of memory in use. ENERGY: 3951400 720.1428 2059.7823 1899.5545 114.1532 -205973.0831 17593.6783 0.0000 0.0000 34199.4860 -149386.2860 298.6726 -183585.7720 -149286.7748 299.2002 -82.1747 -50.1446 557889.3610 -14.8807 -14.8196 PRESSURE: 3951600 162.783 52.7338 139.289 52.7326 -147.476 184.06 139.289 184.062 14.2784 GPRESSURE: 3951600 218.184 8.49556 36.0245 102.896 -113.502 180.819 152.675 83.665 19.5446 PRESSAVG: 3951600 -8.75967 -4.31369 39.1032 -4.31366 15.1707 14.4504 39.1031 14.4502 11.9407 GPRESSAVG: 3951600 -9.10333 -3.77164 40.0044 -5.50106 15.6079 16.3043 38.5868 12.6131 11.8612 TIMING: 3951600 CPU: 11748.7, 0.00293687/step Wall: 11748.7, 0.00293687/step, 0.855282 hours remaining, 207.757812 MB of memory in use. ENERGY: 3951600 757.6228 2098.0167 1935.8083 103.4598 -206327.0450 17812.9070 0.0000 0.0000 34213.4404 -149405.7900 298.7945 -183619.2304 -149306.8863 299.0705 9.8620 41.4090 556715.8113 6.1172 6.1219 PRESSURE: 3951800 115.275 -14.9609 145.842 -14.9606 179.084 -70.33 145.842 -70.3318 88.8831 GPRESSURE: 3951800 120.198 12.3161 97.6839 12.585 210.345 -16.1234 145.872 -88.0148 146.871 PRESSAVG: 3951800 89.5554 3.47841 -10.5324 3.47843 -11.3454 -19.7337 -10.5324 -19.7336 -37.6032 GPRESSAVG: 3951800 89.938 1.85577 -10.6603 4.61617 -11.5132 -20.4009 -10.3053 -18.8562 -38.1442 TIMING: 3951800 CPU: 11749.3, 0.00291701/step Wall: 11749.3, 0.00291701/step, 0.849335 hours remaining, 207.757812 MB of memory in use. ENERGY: 3951800 747.2042 2097.9765 1956.4270 115.2297 -206335.9444 17916.7764 0.0000 0.0000 34186.0611 -149316.2696 298.5554 -183502.3306 -149218.0658 299.0686 127.7471 159.1379 556268.2478 13.5356 13.4268 PRESSURE: 3952000 -51.8367 -85.433 -61.2195 -85.4337 58.7585 -11.7854 -61.2202 -11.784 21.8141 GPRESSURE: 3952000 -46.6786 -224.089 1.41133 -54.0968 158.977 13.1015 -64.2586 -44.0074 7.12734 PRESSAVG: 3952000 22.5002 -17.6409 22.0741 -17.6409 -9.19904 25.1937 22.074 25.1937 25.7391 GPRESSAVG: 3952000 23.2702 -16.3817 21.4372 -19.1408 -9.73515 26.4495 22.6222 26.1997 25.0126 TIMING: 3952000 CPU: 11749.9, 0.00294136/step Wall: 11749.9, 0.00294136/step, 0.856262 hours remaining, 207.757812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3952000 772.8913 2080.3420 1925.7789 106.7498 -206444.8598 17979.1146 0.0000 0.0000 34202.6580 -149377.3253 298.7003 -183579.9833 -149279.8010 298.7611 9.5787 39.8087 557178.0974 13.0134 12.8492 PRESSURE: 3952200 -243.317 -79.2323 151.668 -79.2314 172.06 -3.52311 151.669 -3.52266 -127.851 GPRESSURE: 3952200 -193.529 -35.2704 137.037 -64.9695 206.117 -130.003 115.637 -62.6164 -111.778 PRESSAVG: 3952200 2.96558 -17.9595 38.752 -17.9595 -47.0624 6.87959 38.7519 6.87969 25.9808 GPRESSAVG: 3952200 2.12697 -18.0737 40.1771 -18.6902 -48.164 4.90954 38.0619 7.98375 27.234 TIMING: 3952200 CPU: 11750.4, 0.00290684/step Wall: 11750.4, 0.00290684/step, 0.846052 hours remaining, 207.757812 MB of memory in use. ENERGY: 3952200 747.9219 2064.6642 1950.0963 96.6020 -206474.7061 17745.8610 0.0000 0.0000 34265.3373 -149604.2232 299.2477 -183869.5605 -149506.9834 298.6860 -66.3694 -33.0632 556956.4276 -6.0387 -6.2677 LDB: ============= START OF LOAD BALANCING ============== 11754 LDB: ============== END OF LOAD BALANCING =============== 11754 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11754 LDB: ============= START OF LOAD BALANCING ============== 11754.3 LDB: Largest compute 4796 load 0.022948 is 19.4% of average load 0.118248 LDB: Average compute 0.001733 is 1.5% of average load 0.118248 LDB: TIME 11754.3 LOAD: AVG 0.118248 MAX 0.195734 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.762 MB LDB: TIME 11754.3 LOAD: AVG 0.118248 MAX 0.195734 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.762 MB LDB: TIME 11754.3 LOAD: AVG 0.118248 MAX 0.195734 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11754.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11754.3 PRESSURE: 3952400 68.8512 -38.9869 148.93 -38.9862 123.052 193.252 148.93 193.251 3.79465 GPRESSURE: 3952400 72.7892 56.4077 116.973 -43.7251 170.81 239.052 218.236 178.756 66.0287 PRESSAVG: 3952400 -19.4184 -31.4826 -13.2124 -31.4826 2.33287 -9.75917 -13.2125 -9.75925 24.1915 GPRESSAVG: 3952400 -19.2476 -32.3159 -13.006 -28.8145 2.84208 -8.28077 -12.388 -11.5763 23.894 TIMING: 3952400 CPU: 11751, 0.00296438/step Wall: 11751, 0.00296438/step, 0.862635 hours remaining, 208.281250 MB of memory in use. ENERGY: 3952400 742.8102 2084.7682 1966.8570 129.3927 -206667.8359 17952.0076 0.0000 0.0000 34110.5719 -149681.4284 297.8961 -183792.0003 -149587.4599 298.1327 65.2326 103.2092 554995.1796 2.3687 2.4962 PRESSURE: 3952600 275.67 -14.6223 3.65563 -14.6227 -94.5849 -18.2838 3.65605 -18.282 215.337 GPRESSURE: 3952600 269.798 -11.6289 43.6749 -29.9076 -34.8743 -29.1832 -32.6592 -66.9679 252.225 PRESSAVG: 3952600 -93.3234 -18.6744 -3.86545 -18.6745 6.94424 -16.4386 -3.86543 -16.4385 69.9975 GPRESSAVG: 3952600 -92.5314 -17.1165 -4.84661 -20.0272 7.43184 -16.4038 -4.62703 -18.3053 68.7793 TIMING: 3952600 CPU: 11751.6, 0.00292473/step Wall: 11751.6, 0.00292473/step, 0.850934 hours remaining, 208.281250 MB of memory in use. ENERGY: 3952600 723.4161 2096.1552 1934.6637 110.3835 -206380.9187 17920.0234 0.0000 0.0000 34005.1073 -149591.1695 296.9751 -183596.2768 -149488.0776 298.3546 132.1408 162.3828 555555.7974 -5.4606 -5.4401 PRESSURE: 3952800 -48.37 91.4922 202.913 91.492 132.699 -116.02 202.913 -116.02 83.873 GPRESSURE: 3952800 12.5277 175.275 158.485 11.001 161.505 -140.108 283.325 -161.203 101.49 PRESSAVG: 3952800 35.719 72.319 51.9478 72.3191 11.3866 -17.8565 51.9479 -17.8567 -19.6449 GPRESSAVG: 3952800 35.9096 71.8584 53.4821 70.508 11.0082 -16.4424 51.4808 -15.9759 -18.7394 TIMING: 3952800 CPU: 11752.2, 0.00292019/step Wall: 11752.2, 0.00292019/step, 0.849451 hours remaining, 208.281250 MB of memory in use. ENERGY: 3952800 758.2532 2117.9472 1926.0024 109.6880 -206615.2339 17924.5967 0.0000 0.0000 34213.7657 -149564.9807 298.7973 -183778.7464 -149466.0733 298.8264 56.0674 91.8407 555686.3618 9.1535 9.3928 PRESSURE: 3953000 87.092 25.5855 10.625 25.5863 49.3263 175.666 10.6255 175.665 -165.342 GPRESSURE: 3953000 68.6742 -65.6003 6.99058 43.8731 108.923 165.835 26.5604 84.9221 -107.149 PRESSAVG: 3953000 60.1039 27.6385 -4.36902 27.6385 3.67221 18.4216 -4.36907 18.4216 -52.8096 GPRESSAVG: 3953000 60.5787 26.2903 -5.04414 30.8418 3.82255 17.935 -5.13681 18.6741 -53.2682 TIMING: 3953000 CPU: 11752.8, 0.00289925/step Wall: 11752.8, 0.00289925/step, 0.843198 hours remaining, 208.281250 MB of memory in use. ENERGY: 3953000 700.7367 2150.0744 1947.5256 120.8084 -206360.1765 17694.3573 0.0000 0.0000 34166.5244 -149580.1496 298.3848 -183746.6740 -149490.0841 298.5173 -9.6411 23.4827 556353.3497 3.6555 3.7110 PRESSURE: 3953200 65.0063 60.3229 10.5128 60.3239 90.356 124.836 10.5126 124.837 91.2314 GPRESSURE: 3953200 140.293 47.3597 45.6992 78.102 89.635 33.8811 -8.9459 257.431 120.841 PRESSAVG: 3953200 21.3635 -6.1399 -27.4271 -6.13988 -2.94531 -10.8437 -27.4271 -10.8437 -18.7854 GPRESSAVG: 3953200 20.284 -5.31623 -26.9913 -7.2866 -3.90536 -11.8352 -27.6253 -10.0533 -17.3248 TIMING: 3953200 CPU: 11753.4, 0.00290949/step Wall: 11753.4, 0.00290949/step, 0.846014 hours remaining, 208.281250 MB of memory in use. ENERGY: 3953200 786.2240 2084.3504 1944.8083 122.1197 -206575.3070 18023.6891 0.0000 0.0000 34124.2674 -149489.8480 298.0157 -183614.1154 -149399.0079 299.0983 82.1979 116.9230 556013.4168 -0.1224 -0.3154 PRESSURE: 3953400 -281.351 199.148 -97.1316 199.147 26.3654 -33.3395 -97.1323 -33.3396 187.358 GPRESSURE: 3953400 -213.875 152.39 -144.527 225.51 -2.60678 61.7757 -78.0233 -91.7914 248.362 PRESSAVG: 3953400 3.03699 38.797 3.87045 38.7969 -1.65203 -10.6593 3.87052 -10.6594 10.389 GPRESSAVG: 3953400 2.98371 37.7305 3.00072 40.3825 -0.694253 -11.3497 5.72717 -10.7037 9.61587 TIMING: 3953400 CPU: 11754, 0.00295106/step Wall: 11754, 0.00295106/step, 0.857939 hours remaining, 208.281250 MB of memory in use. ENERGY: 3953400 719.8454 2089.3757 1951.5106 108.8565 -206306.5752 17698.3833 0.0000 0.0000 34201.7547 -149536.8490 298.6924 -183738.6038 -149444.4955 298.7302 -22.5426 10.6268 556662.4751 3.9247 3.9684 PRESSURE: 3953600 104.974 -84.0912 57.3681 -84.0892 90.7978 -95.3843 57.3693 -95.3845 21.503 GPRESSURE: 3953600 137.685 -65.5992 37.067 -58.4839 119.263 -90.0863 57.7078 -86.7467 61.4839 PRESSAVG: 3953600 -13.8506 -11.9613 4.42116 -11.9613 -25.4714 -1.46506 4.42111 -1.46505 34.6213 GPRESSAVG: 3953600 -13.8447 -8.76501 2.71781 -15.184 -25.3606 -0.394446 4.36858 -1.74248 34.2574 TIMING: 3953600 CPU: 11754.5, 0.00291791/step Wall: 11754.5, 0.00291791/step, 0.84814 hours remaining, 208.281250 MB of memory in use. ENERGY: 3953600 719.4914 2094.5852 1943.6616 113.5105 -206590.9992 17991.4397 0.0000 0.0000 34278.3854 -149449.9256 299.3617 -183728.3110 -149355.0561 299.2987 72.4248 106.1443 557822.9171 -1.5669 -1.6493 PRESSURE: 3953800 113.075 24.1831 -96.2873 24.1832 20.2899 75.6634 -96.2874 75.6649 -14.0477 GPRESSURE: 3953800 148.038 90.5499 -117.07 -11.4994 25.0534 -12.9682 -11.4591 144.642 38.0292 PRESSAVG: 3953800 29.5258 -2.70273 23.7937 -2.70269 31.0132 -15.6724 23.7937 -15.6725 6.46201 GPRESSAVG: 3953800 30.9126 -4.16872 27.4783 -1.02744 29.6618 -16.4435 23.8956 -15.4632 5.64134 TIMING: 3953800 CPU: 11755.1, 0.00292375/step Wall: 11755.1, 0.00292375/step, 0.849674 hours remaining, 208.281250 MB of memory in use. ENERGY: 3953800 725.0313 2061.5379 1953.6589 108.9912 -206322.0323 17889.6654 0.0000 0.0000 34316.4401 -149266.7076 299.6940 -183583.1477 -149166.4403 298.8040 39.7724 70.3734 557503.8538 22.3337 22.0719 PRESSURE: 3954000 94.1955 74.653 -132.391 74.6545 180.071 47.0822 -132.391 47.0834 -78.9424 GPRESSURE: 3954000 125.209 45.6954 -76.1069 41.6867 225.162 117.094 -283.515 -6.39489 -40.6745 PRESSAVG: 3954000 29.5978 17.1544 -25.3374 17.1543 -33.9584 8.39822 -25.3373 8.39825 -7.49823 GPRESSAVG: 3954000 29.1567 16.2739 -25.6304 16.0671 -33.581 7.68738 -28.1095 8.46116 -7.09921 TIMING: 3954000 CPU: 11755.7, 0.00293644/step Wall: 11755.7, 0.00293644/step, 0.853198 hours remaining, 208.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3954000 735.3333 2105.2242 1923.8309 110.2365 -205933.3733 17723.3951 0.0000 0.0000 34309.7604 -149025.5929 299.6357 -183335.3533 -148930.8544 299.1565 65.1080 103.2323 555172.3168 -3.9529 -3.8412 PRESSURE: 3954200 43.9984 41.3313 43.3115 41.3316 61.8569 -134.509 43.311 -134.507 115.891 GPRESSURE: 3954200 104.838 13.2882 32.2097 56.9527 164.044 -64.2103 57.9436 -148.945 58.6481 PRESSAVG: 3954200 40.9637 20.0171 -24.1564 20.0172 10.4595 -12.5888 -24.1564 -12.5888 25.0654 GPRESSAVG: 3954200 40.1522 19.2492 -26.4588 20.8957 10.8698 -12.197 -21.8974 -13.5939 25.412 TIMING: 3954200 CPU: 11756.3, 0.00295787/step Wall: 11756.3, 0.00295787/step, 0.859261 hours remaining, 208.281250 MB of memory in use. ENERGY: 3954200 763.0856 2134.8690 1964.7843 117.2174 -206455.1559 18110.1842 0.0000 0.0000 34223.9213 -149141.0942 298.8860 -183365.0154 -149042.0496 300.3536 73.9156 109.1768 556560.5989 25.4962 25.4780 PRESSURE: 3954400 204.575 -0.628472 37.0567 -0.629029 212.041 -116.218 37.0583 -116.218 56.3695 GPRESSURE: 3954400 272.59 -11.2165 62.1614 -23.7465 216.775 -89.9264 31.794 -185.06 84.5888 PRESSAVG: 3954400 1.16074 0.390912 14.2751 0.390918 -19.0757 -14.5526 14.2751 -14.5524 13.1847 GPRESSAVG: 3954400 1.37813 0.584954 16.1947 0.689518 -18.4381 -15.2247 12.1705 -13.2922 12.2206 TIMING: 3954400 CPU: 11756.9, 0.00293821/step Wall: 11756.9, 0.00293821/step, 0.853386 hours remaining, 208.281250 MB of memory in use. ENERGY: 3954400 721.7215 2110.4844 1955.0267 118.4412 -206316.9145 17979.8660 0.0000 0.0000 34380.0658 -149051.3089 300.2497 -183431.3747 -148955.3734 299.0343 157.6619 191.3179 556070.7143 -1.5768 -1.6131 PRESSURE: 3954600 75.7689 -182.44 -70.9223 -182.441 -9.92237 135.774 -70.9224 135.776 -144.301 GPRESSURE: 3954600 154.031 -75.7001 -57.6054 -61.6599 35.7389 104.062 1.6928 166.244 -176.069 PRESSAVG: 3954600 -100.61 13.4768 -37.1139 13.4767 37.4551 -27.7699 -37.114 -27.7698 65.5212 GPRESSAVG: 3954600 -100.282 14.9085 -37.5331 12.4473 35.4354 -27.6159 -36.268 -27.3575 66.9573 TIMING: 3954600 CPU: 11757.5, 0.00299271/step Wall: 11757.5, 0.00299271/step, 0.869048 hours remaining, 208.281250 MB of memory in use. ENERGY: 3954600 734.2082 2101.6661 1950.9085 119.6233 -205841.2149 17715.3745 0.0000 0.0000 34352.8170 -148866.6175 300.0117 -183219.4344 -148773.7417 298.8252 -26.1516 4.5667 558034.7460 0.7889 0.7036 PRESSURE: 3954800 -83.3811 15.6369 -120.938 15.6382 -216.354 112.937 -120.937 112.938 106.65 GPRESSURE: 3954800 -69.648 64.0091 -79.0746 -98.0168 -191.486 126.107 -72.1601 114.399 152.628 PRESSAVG: 3954800 -40.6729 35.9544 16.6609 35.9543 22.0437 20.0405 16.6609 20.0403 2.88278 GPRESSAVG: 3954800 -41.5163 34.517 17.0387 36.1504 23.7668 18.5832 16.8509 19.6064 2.04666 TIMING: 3954800 CPU: 11758.1, 0.00298344/step Wall: 11758.1, 0.00298344/step, 0.866191 hours remaining, 208.281250 MB of memory in use. ENERGY: 3954800 757.8417 2053.2137 1934.3754 114.0272 -205982.4270 17758.2385 0.0000 0.0000 34514.5426 -148850.1880 301.4241 -183364.7305 -148749.4847 300.5822 -64.3615 -36.1685 559173.6658 -5.2488 -5.2343 PRESSURE: 3955000 -158.605 -53.1218 191.982 -53.1214 -328.339 -149.039 191.98 -149.038 -200.498 GPRESSURE: 3955000 -81.5969 -69.1826 150.816 -23.3498 -299.255 -216.605 204.443 -60.7756 -207.121 PRESSAVG: 3955000 72.5507 5.72844 -45.2127 5.72834 -59.7639 -7.57979 -45.2127 -7.57973 -1.15797 GPRESSAVG: 3955000 73.6418 6.84941 -45.1276 5.51511 -60.3948 -7.20743 -46.4353 -7.49486 -1.4523 TIMING: 3955000 CPU: 11758.7, 0.00297894/step Wall: 11758.7, 0.00297894/step, 0.86472 hours remaining, 208.281250 MB of memory in use. ENERGY: 3955000 741.4769 2086.8329 1956.7440 113.9613 -205493.3857 17350.8266 0.0000 0.0000 34342.1687 -148901.3752 299.9187 -183243.5439 -148810.3502 300.5300 -229.1475 -195.9911 558787.9108 3.8763 3.9316 PRESSURE: 3955200 92.1294 136.785 115.002 136.787 -89.3568 16.8964 115.001 16.8955 -48.4587 GPRESSURE: 3955200 138.132 33.3437 79.1572 179.537 -121.999 41.079 45.0468 -37.7025 39.9811 PRESSAVG: 3955200 -3.37007 -26.9021 -10.1037 -26.9021 4.90886 -14.2013 -10.1036 -14.2013 5.92541 GPRESSAVG: 3955200 -3.71164 -27.9794 -11.4187 -27.0293 4.66189 -12.1159 -9.54376 -14.1919 6.58287 TIMING: 3955200 CPU: 11759.3, 0.00297343/step Wall: 11759.3, 0.00297343/step, 0.862957 hours remaining, 208.539062 MB of memory in use. ENERGY: 3955200 789.0402 2123.4747 1933.4760 114.1149 -205854.7099 17747.7575 0.0000 0.0000 34475.2113 -148671.6353 301.0806 -183146.8467 -148577.5340 300.4794 -15.2287 18.7050 557074.5358 2.4881 2.5110 PRESSURE: 3955400 -170.977 128.775 -31.499 128.774 -69.0056 63.3639 -31.4987 63.3626 -4.52161 GPRESSURE: 3955400 -178.649 64.6729 -94.0043 126.752 -11.4423 67.8063 -76.1657 4.34698 45.9695 PRESSAVG: 3955400 8.7685 31.1515 10.4507 31.1514 -69.0861 26.3013 10.4507 26.3014 29.5595 GPRESSAVG: 3955400 8.58618 30.8584 9.49307 31.6331 -68.5189 25.2018 12.5127 26.1889 29.5869 TIMING: 3955400 CPU: 11759.9, 0.00297033/step Wall: 11759.9, 0.00297033/step, 0.861891 hours remaining, 208.539062 MB of memory in use. ENERGY: 3955400 766.5010 2072.5395 1964.6671 110.7210 -205467.0831 17561.7177 0.0000 0.0000 34410.7105 -148580.2263 300.5173 -182990.9368 -148478.4323 300.3788 -81.5016 -48.0406 557632.5275 -10.2527 -10.1153 PRESSURE: 3955600 -84.5266 -126.024 -23.8854 -126.024 -31.5033 -77.8998 -23.8866 -77.8997 -106.333 GPRESSURE: 3955600 -22.2989 -76.0146 -47.2534 -133.463 -2.73127 -70.2972 33.6222 -127.294 -110.102 PRESSAVG: 3955600 -14.366 41.7807 -17.3968 41.7808 -9.61482 20.8154 -17.3969 20.8154 31.4288 GPRESSAVG: 3955600 -15.4873 40.8292 -16.9387 41.183 -8.19762 19.1527 -18.3383 19.1631 30.8942 TIMING: 3955600 CPU: 11760.5, 0.00292667/step Wall: 11760.5, 0.00292667/step, 0.84906 hours remaining, 208.539062 MB of memory in use. ENERGY: 3955600 756.6871 2076.4581 1915.8349 120.0983 -205618.1946 17637.5004 0.0000 0.0000 34363.8342 -148747.7816 300.1079 -183111.6157 -148652.5902 301.2080 -74.1210 -45.0442 557005.8622 2.4826 2.4031 PRESSURE: 3955800 -142.002 186.449 -19.9436 186.45 -20.0103 -81.5685 -19.9429 -81.5676 -357.381 GPRESSURE: 3955800 -75.6801 108.938 -10.551 233.452 -4.55442 -133.045 -39.5707 -46.5574 -345.316 PRESSAVG: 3955800 -70.2895 26.9517 35.4224 26.9518 55.7948 -50.7858 35.4224 -50.7859 -22.7112 GPRESSAVG: 3955800 -69.9702 25.2549 36.0436 28.2953 55.7684 -50.0144 35.3014 -49.5463 -22.9476 TIMING: 3955800 CPU: 11761, 0.00293543/step Wall: 11761, 0.00293543/step, 0.851439 hours remaining, 208.539062 MB of memory in use. ENERGY: 3955800 747.3992 2090.3966 1948.5899 116.5370 -205611.6829 17532.4493 0.0000 0.0000 34200.4070 -148975.9038 298.6807 -183176.3108 -148879.9169 300.6663 -173.1312 -141.8501 558458.4119 -12.4020 -12.3831 PRESSURE: 3956000 -105.129 105.751 -18.2088 105.751 61.6815 -84.4084 -18.2089 -84.4085 -79.2311 GPRESSURE: 3956000 -112.079 47.7837 19.3091 20.9341 107.614 4.22876 7.91545 -48.3657 -16.2112 PRESSAVG: 3956000 -25.895 8.48058 -39.5529 8.48056 31.6074 18.4902 -39.553 18.4902 -18.1998 GPRESSAVG: 3956000 -25.4714 9.12518 -39.5208 8.87488 29.9376 18.6425 -39.0076 21.1434 -16.9355 TIMING: 3956000 CPU: 11761.6, 0.00293413/step Wall: 11761.6, 0.00293413/step, 0.850897 hours remaining, 208.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3956000 743.5791 2075.2574 1919.3558 113.7508 -205875.5476 17583.8726 0.0000 0.0000 34209.8220 -149229.9099 298.7629 -183439.7319 -149138.4927 299.1267 -40.8929 -6.8918 556198.8832 -4.1625 -4.1564 PRESSURE: 3956200 -34.3641 46.6554 -173.222 46.6549 6.46583 6.01685 -173.222 6.01706 14.8522 GPRESSURE: 3956200 -22.882 45.6859 -153.27 44.3648 50.0361 -49.4342 -191.285 26.3265 43.9157 PRESSAVG: 3956200 -28.3193 15.5354 -22.2238 15.5355 -8.1089 1.83454 -22.2238 1.83448 28.6877 GPRESSAVG: 3956200 -29.309 13.9461 -21.3294 14.3814 -6.8773 2.14656 -24.098 1.13345 28.0842 TIMING: 3956200 CPU: 11762.2, 0.00294004/step Wall: 11762.2, 0.00294004/step, 0.85245 hours remaining, 208.539062 MB of memory in use. ENERGY: 3956200 730.7268 2067.0544 1946.3714 118.8342 -205995.0995 17736.3481 0.0000 0.0000 34174.3765 -149221.3881 298.4533 -183395.7646 -149125.7068 298.9009 -4.3487 23.6899 557358.4823 -2.5802 -2.7007 LDB: ============= START OF LOAD BALANCING ============== 11765.8 LDB: ============== END OF LOAD BALANCING =============== 11765.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11765.8 LDB: ============= START OF LOAD BALANCING ============== 11766.1 LDB: Largest compute 4796 load 0.023480 is 19.8% of average load 0.118299 LDB: Average compute 0.001726 is 1.5% of average load 0.118299 LDB: TIME 11766.1 LOAD: AVG 0.118299 MAX 0.197083 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.441 MB LDB: TIME 11766.1 LOAD: AVG 0.118299 MAX 0.197083 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.441 MB LDB: TIME 11766.1 LOAD: AVG 0.118299 MAX 0.197083 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.441 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11766.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11766.1 PRESSURE: 3956400 -52.267 -84.7969 2.97143 -84.7977 -90.0028 -87.7032 2.97161 -87.7022 -123.867 GPRESSURE: 3956400 -4.87179 -78.5975 -134.531 -166.572 -48.5623 -23.0732 2.36235 -118.464 -112.855 PRESSAVG: 3956400 -28.0531 23.3579 26.4323 23.3579 48.4934 -36.4605 26.4323 -36.4605 19.2102 GPRESSAVG: 3956400 -27.8374 24.9791 23.9539 23.6736 48.013 -35.5964 28.6186 -35.9092 19.5645 TIMING: 3956400 CPU: 11762.8, 0.00298908/step Wall: 11762.8, 0.00298908/step, 0.866502 hours remaining, 207.375000 MB of memory in use. ENERGY: 3956400 759.3992 2108.4962 1920.2740 106.8688 -206239.0295 17687.5251 0.0000 0.0000 34311.9824 -149344.4839 299.6551 -183656.4663 -149248.4105 298.5556 -88.7124 -55.4296 556673.2261 13.2169 13.2467 PRESSURE: 3956600 105.411 58.6236 54.0473 58.6243 36.7102 -32.2121 54.046 -32.2122 120.827 GPRESSURE: 3956600 76.4198 155.567 85.993 15.1994 85.5907 -48.4374 -26.8774 112.095 210.462 PRESSAVG: 3956600 13.2233 2.21062 -18.4241 2.21054 -34.08 -9.19363 -18.4241 -9.1937 62.7184 GPRESSAVG: 3956600 12.6631 2.74933 -17.601 1.38456 -34.5718 -7.79516 -18.3125 -10.2416 63.7251 TIMING: 3956600 CPU: 11763.4, 0.00295649/step Wall: 11763.4, 0.00295649/step, 0.85689 hours remaining, 207.445312 MB of memory in use. ENERGY: 3956600 759.4890 2054.2932 1926.3346 112.7535 -206104.2319 17676.8932 0.0000 0.0000 34226.4129 -149348.0556 298.9078 -183574.4685 -149246.5663 299.0356 87.6494 124.1575 556125.7255 13.9539 13.9388 PRESSURE: 3956800 -70.6885 -28.8791 -83.9248 -28.8807 111.579 -19.5221 -83.9248 -19.5231 116.808 GPRESSURE: 3956800 -56.2025 -43.8261 -94.8486 -13.4681 118.618 -10.8332 -100.625 17.535 190.685 PRESSAVG: 3956800 14.8031 -31.2896 20.3245 -31.2897 -12.9251 26.6886 20.3245 26.6885 -14.4239 GPRESSAVG: 3956800 15.1079 -30.7034 18.9615 -32.3023 -12.1562 24.5924 19.7257 26.0609 -15.9024 TIMING: 3956800 CPU: 11764, 0.00295699/step Wall: 11764, 0.00295699/step, 0.85687 hours remaining, 207.445312 MB of memory in use. ENERGY: 3956800 693.8634 2073.7786 1900.1775 109.4783 -206282.1878 17838.9682 0.0000 0.0000 34289.9826 -149375.9392 299.4629 -183665.9218 -149284.0299 299.2822 52.5662 84.3669 557104.2625 -4.1820 -4.3169 PRESSURE: 3957000 -322.425 55.657 12.0874 55.6575 134.937 -43.3344 12.0878 -43.3346 73.1982 GPRESSURE: 3957000 -272.532 22.6174 9.59412 39.5734 198.888 19.7071 19.1081 -26.0272 58.4156 PRESSAVG: 3957000 5.70031 3.90408 -6.47575 3.90393 -15.7174 -0.136871 -6.4757 -0.136838 30.7766 GPRESSAVG: 3957000 5.75121 2.6169 -5.87365 6.01777 -16.1001 -0.255765 -7.05216 0.363619 30.5246 TIMING: 3957000 CPU: 11764.6, 0.00295985/step Wall: 11764.6, 0.00295985/step, 0.857535 hours remaining, 207.445312 MB of memory in use. ENERGY: 3957000 723.4183 2047.7912 1932.4274 120.0118 -206322.6601 17799.2530 0.0000 0.0000 34228.4138 -149471.3447 298.9253 -183699.7585 -149377.6408 298.7161 -38.0963 -5.0762 558447.0752 6.9198 6.7252 PRESSURE: 3957200 -105.514 10.6166 -27.5968 10.6167 -72.1658 -56.4546 -27.5951 -56.4559 167.812 GPRESSURE: 3957200 -74.477 42.6642 -31.0345 -40.3721 2.01569 -116.399 -51.3246 -0.221163 156.841 PRESSAVG: 3957200 -72.3345 36.6926 -0.369227 36.6925 55.1555 -12.9285 -0.369193 -12.9285 63.6361 GPRESSAVG: 3957200 -72.2498 37.4325 -1.81632 36.0051 54.6353 -13.7566 -2.20776 -11.9853 64.8408 TIMING: 3957200 CPU: 11765.2, 0.002956/step Wall: 11765.2, 0.002956/step, 0.856256 hours remaining, 207.445312 MB of memory in use. ENERGY: 3957200 722.6051 2106.4995 1934.0096 106.1380 -206244.8239 17745.8641 0.0000 0.0000 34204.9329 -149424.7747 298.7202 -183629.7075 -149331.1120 298.7990 -3.2892 28.1265 558345.2841 15.4857 15.7421 PRESSURE: 3957400 36.5375 -4.63122 -64.7833 -4.62954 -89.6958 84.9212 -64.7834 84.9206 221.484 GPRESSURE: 3957400 95.8278 30.6761 -56.1737 81.4179 -98.9708 46.1767 -27.7992 143.128 258.959 PRESSAVG: 3957400 -39.0424 86.9947 -12.3733 86.9948 -12.9297 -12.9392 -12.3734 -12.9393 30.3526 GPRESSAVG: 3957400 -37.4505 86.3321 -12.0627 86.453 -13.8491 -11.7026 -12.1593 -13.5422 29.222 TIMING: 3957400 CPU: 11765.8, 0.00294404/step Wall: 11765.8, 0.00294404/step, 0.852626 hours remaining, 207.445312 MB of memory in use. ENERGY: 3957400 744.1537 2134.1260 1952.0101 125.1855 -206866.3663 18168.6344 0.0000 0.0000 34172.6185 -149569.6382 298.4380 -183742.2566 -149480.8437 298.2529 56.1084 85.2721 558176.7689 -7.2065 -7.3592 PRESSURE: 3957600 -143.164 50.7376 80.3404 50.738 -295.224 -127.586 80.3412 -127.586 -286.993 GPRESSURE: 3957600 -98.0163 20.5391 -7.99508 42.4035 -304.702 -43.0732 50.5494 -88.793 -224.533 PRESSAVG: 3957600 10.8192 -21.0201 -5.35842 -21.0201 8.80586 41.0658 -5.35836 41.0659 -7.47761 GPRESSAVG: 3957600 8.57364 -21.2239 -4.88859 -21.1646 10.7687 42.7521 -2.66008 39.7233 -6.95031 TIMING: 3957600 CPU: 11766.4, 0.00293863/step Wall: 11766.4, 0.00293863/step, 0.850896 hours remaining, 207.445312 MB of memory in use. ENERGY: 3957600 763.9530 2122.4711 1954.8235 108.8122 -205997.4630 17450.9765 0.0000 0.0000 34114.9104 -149481.5165 297.9340 -183596.4269 -149390.0940 298.1483 -241.7938 -209.0837 558294.8297 4.0491 4.1307 PRESSURE: 3957800 -15.8758 1.77156 -45.5085 1.7716 -236.21 156.493 -45.5095 156.494 -27.5166 GPRESSURE: 3957800 95.4015 -9.99377 -77.0291 -32.4669 -200.702 63.172 22.4301 167.363 -53.7301 PRESSAVG: 3957800 3.05566 38.6278 1.35852 38.6277 37.9237 3.5713 1.35838 3.57126 -35.4142 GPRESSAVG: 3957800 4.51608 38.8042 1.01337 38.3327 36.9775 2.32843 1.55278 2.31894 -36.2546 TIMING: 3957800 CPU: 11767, 0.00294759/step Wall: 11767, 0.00294759/step, 0.853327 hours remaining, 207.445312 MB of memory in use. ENERGY: 3957800 771.9663 2039.2897 1949.9517 111.0030 -206487.4393 17893.2693 0.0000 0.0000 34233.1676 -149488.7918 298.9668 -183721.9593 -149391.7258 298.7163 -93.2006 -53.0101 556925.4511 1.8551 1.7463 PRESSURE: 3958000 54.031 18.4073 -66.5175 18.4071 -252.454 -41.1199 -66.517 -41.1197 -407.444 GPRESSURE: 3958000 51.6425 69.6223 -40.2828 25.8704 -235.388 32.3248 -102.82 -65.1995 -338.515 PRESSAVG: 3958000 12.1697 36.7704 -41.7208 36.7704 -17.1021 44.9029 -41.7207 44.9028 -26.5663 GPRESSAVG: 3958000 11.9205 37.2073 -39.9211 36.5055 -17.7243 43.9352 -44.1279 48.7998 -25.964 TIMING: 3958000 CPU: 11767.5, 0.00294628/step Wall: 11767.5, 0.00294628/step, 0.852784 hours remaining, 207.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3958000 796.8730 2078.7096 1950.4429 123.0296 -206684.8729 17783.8213 0.0000 0.0000 34422.8241 -149529.1724 300.6231 -183951.9965 -149432.0505 298.7867 -201.9555 -174.0867 556560.4313 -10.4996 -10.5892 PRESSURE: 3958200 78.8459 38.5057 239.136 38.506 -110.583 267.236 239.136 267.237 70.4023 GPRESSURE: 3958200 130.059 21.7257 204.669 107.593 -171.352 220.356 168.121 227.685 176.158 PRESSAVG: 3958200 34.8587 -10.2038 11.0615 -10.2038 -4.51158 17.2563 11.0615 17.2564 0.128363 GPRESSAVG: 3958200 33.6208 -8.86462 10.0161 -8.61601 -4.60777 18.0738 11.3936 15.9159 1.2777 TIMING: 3958200 CPU: 11768.1, 0.00295876/step Wall: 11768.1, 0.00295876/step, 0.856232 hours remaining, 207.445312 MB of memory in use. ENERGY: 3958200 784.3112 2024.1077 1933.5986 118.1946 -206745.5387 17916.0334 0.0000 0.0000 34410.3094 -149558.9839 300.5138 -183969.2932 -149466.9906 298.5535 12.8885 44.9548 556385.3843 10.1585 10.0969 PRESSURE: 3958400 129.52 72.164 -50.1404 72.1639 -149.438 -14.5651 -50.1417 -14.5657 141.45 GPRESSURE: 3958400 163.661 27.0794 33.4403 39.0627 -108.275 -32.1647 -113.933 36.4142 156.559 PRESSAVG: 3958400 -17.4225 42.0461 38.8911 42.0462 -12.7984 12.387 38.8911 12.3871 -6.89073 GPRESSAVG: 3958400 -16.1669 41.4429 39.063 41.8862 -12.9869 13.5435 39.3976 10.5705 -7.66615 TIMING: 3958400 CPU: 11768.7, 0.00297606/step Wall: 11768.7, 0.00297606/step, 0.861072 hours remaining, 207.445312 MB of memory in use. ENERGY: 3958400 717.1220 2051.5753 1980.3277 117.9020 -206228.6267 17894.3979 0.0000 0.0000 34105.1752 -149362.1266 297.8490 -183467.3018 -149266.7057 298.3733 40.5108 70.6487 558058.3965 -12.3706 -12.2733 PRESSURE: 3958600 -94.4631 -103.627 142.915 -103.628 -82.7071 104.173 142.914 104.175 -62.7765 GPRESSURE: 3958600 -12.0241 -119.993 139.427 -53.447 -79.6134 70.3145 36.5305 120.306 -44.5379 PRESSAVG: 3958600 -36.1711 28.2774 -61.0212 28.2776 21.5833 -18.7662 -61.0213 -18.7662 -10.6268 GPRESSAVG: 3958600 -36.3996 26.4609 -60.7532 29.8091 20.8386 -19.7619 -61.226 -17.986 -9.64205 TIMING: 3958600 CPU: 11769.3, 0.00295705/step Wall: 11769.3, 0.00295705/step, 0.855409 hours remaining, 207.445312 MB of memory in use. ENERGY: 3958600 755.5866 2108.0449 1944.8228 110.4384 -206175.1609 17718.5532 0.0000 0.0000 34271.9872 -149265.7279 299.3058 -183537.7151 -149169.3168 299.3924 -79.9822 -45.3918 555490.4601 -8.4049 -8.4010 PRESSURE: 3958800 -89.7252 15.7559 201.63 15.7564 58.1091 -105.513 201.629 -105.513 -38.9673 GPRESSURE: 3958800 2.2431 79.4867 164.438 -40.0854 63.9668 -150.932 123.321 -143.977 -32.3574 PRESSAVG: 3958800 -28.9829 47.004 22.0821 47.0041 100.083 14.0339 22.0821 14.0338 -17.4534 GPRESSAVG: 3958800 -29.2964 48.4873 22.5107 43.3705 101.892 13.0491 23.5212 15.2972 -18.1886 TIMING: 3958800 CPU: 11769.9, 0.00294938/step Wall: 11769.9, 0.00294938/step, 0.853028 hours remaining, 207.445312 MB of memory in use. ENERGY: 3958800 772.5364 2080.8503 1936.6326 121.6630 -206541.8390 17869.7200 0.0000 0.0000 34387.6415 -149372.7952 300.3158 -183760.4367 -149282.1823 299.8238 -23.5278 11.2842 555509.5552 17.8822 18.1355 PRESSURE: 3959000 124.252 -70.5961 9.26431 -70.5948 125.256 -46.9871 9.26468 -46.9866 296.281 GPRESSURE: 3959000 201.673 -34.6212 -11.2397 -23.7712 157.464 -84.2304 -3.67231 -14.6474 276.816 PRESSAVG: 3959000 43.2865 7.61085 -1.21862 7.61083 -23.1524 -5.26884 -1.21867 -5.26872 -29.872 GPRESSAVG: 3959000 43.4162 6.83998 -1.37008 10.7367 -23.4833 -4.16394 -3.17624 -6.81807 -29.5483 TIMING: 3959000 CPU: 11770.5, 0.00294566/step Wall: 11770.5, 0.00294566/step, 0.851786 hours remaining, 207.445312 MB of memory in use. ENERGY: 3959000 704.1079 2102.6937 1935.8004 109.1967 -206383.6552 17961.4081 0.0000 0.0000 34143.5543 -149426.8941 298.1842 -183570.4484 -149330.4468 299.7773 181.9295 211.9841 555580.3369 -3.2460 -3.2051 PRESSURE: 3959200 -56.1444 88.2437 84.7688 88.2442 195.858 211.061 84.7697 211.06 -106.147 GPRESSURE: 3959200 -15.1654 74.8813 81.1013 85.8734 189.127 261.894 130.39 181.321 -51.9068 PRESSAVG: 3959200 -21.617 48.6913 -21.5329 48.6913 27.8401 14.953 -21.533 14.953 40.3055 GPRESSAVG: 3959200 -22.5756 51.0301 -21.1263 45.5242 28.0692 15.0393 -20.7404 16.9049 41.3153 TIMING: 3959200 CPU: 11771.1, 0.00294776/step Wall: 11771.1, 0.00294776/step, 0.852231 hours remaining, 207.445312 MB of memory in use. ENERGY: 3959200 778.7880 2051.9081 1948.5870 126.9455 -206722.5043 17949.1539 0.0000 0.0000 34432.6126 -149434.5092 300.7086 -183867.1218 -149341.8049 299.8315 11.1888 40.6851 556472.0539 15.5095 15.6029 PRESSURE: 3959400 -214.534 -29.0702 -264.867 -29.0707 -146.182 177.608 -264.867 177.609 7.16352 GPRESSURE: 3959400 -159.083 -83.1817 -262.272 -46.6797 -141.647 283.942 -173.457 167.524 35.9508 PRESSAVG: 3959400 22.8252 24.0273 0.133546 24.0272 -19.5495 11.5727 0.133658 11.5726 26.6941 GPRESSAVG: 3959400 22.787 21.0916 0.0214888 29.4837 -19.566 11.2389 2.31819 9.12178 26.3678 TIMING: 3959400 CPU: 11771.7, 0.00297782/step Wall: 11771.7, 0.00297782/step, 0.860754 hours remaining, 207.445312 MB of memory in use. ENERGY: 3959400 716.5890 2122.4830 1946.8596 110.9093 -206111.9843 17538.2414 0.0000 0.0000 34121.7650 -149555.1370 297.9939 -183676.9020 -149459.8672 298.6631 -117.8508 -88.2598 558391.8818 9.9899 9.8629 PRESSURE: 3959600 243.834 -104.072 65.1848 -104.074 -25.3528 98.0464 65.1848 98.0455 130.195 GPRESSURE: 3959600 290.188 -170.536 111.665 -109.108 16.4092 123.34 59.9868 34.3516 130.879 PRESSAVG: 3959600 35.6788 -4.58239 -44.4332 -4.58233 -65.7269 29.5329 -44.4332 29.5329 -2.37404 GPRESSAVG: 3959600 37.8699 -3.68804 -43.5475 -7.24807 -66.9753 29.4976 -46.438 30.5634 -2.8749 TIMING: 3959600 CPU: 11772.3, 0.0029746/step Wall: 11772.3, 0.0029746/step, 0.85966 hours remaining, 207.445312 MB of memory in use. ENERGY: 3959600 741.6286 2167.9674 1949.9547 118.9474 -206744.6760 18152.6146 0.0000 0.0000 33965.5038 -149648.0595 296.6292 -183613.5633 -149554.8724 297.8939 116.2255 145.8254 557653.6552 -10.8074 -10.6601 PRESSURE: 3959800 -10.1525 -58.995 -27.0562 -58.9941 169.096 -130.228 -27.0556 -130.229 126.803 GPRESSURE: 3959800 28.2581 -68.7031 19.2349 -145.035 194.585 0.443635 -73.9256 -210.501 173.963 PRESSAVG: 3959800 16.4455 -24.2895 9.25493 -24.2896 -82.5588 -4.01473 9.25493 -4.01461 15.0747 GPRESSAVG: 3959800 16.1995 -23.4938 8.73368 -25.429 -81.9838 -4.49329 10.8287 -3.54267 14.7528 TIMING: 3959800 CPU: 11772.9, 0.00295712/step Wall: 11772.9, 0.00295712/step, 0.854443 hours remaining, 207.445312 MB of memory in use. ENERGY: 3959800 734.5822 2087.3316 1910.9408 123.4160 -206707.6433 18080.3348 0.0000 0.0000 34036.5677 -149734.4701 297.2498 -183771.0378 -149650.5844 297.5815 95.2490 132.2687 556411.7665 -17.0129 -17.0105 PRESSURE: 3960000 -155.143 1.15931 -107.789 1.15872 -38.3573 17.4856 -107.788 17.4868 -131.816 GPRESSURE: 3960000 -89.5985 56.0419 -77.2899 70.8507 -19.3863 -2.32061 -116.875 4.46569 -109.02 PRESSAVG: 3960000 -110.567 -13.7039 -12.5668 -13.7039 28.8025 36.1463 -12.5669 36.1463 57.3556 GPRESSAVG: 3960000 -111.032 -13.9211 -13.4638 -14.4398 29.6897 35.9908 -12.7113 35.6815 57.1577 TIMING: 3960000 CPU: 11773.5, 0.00296714/step Wall: 11773.5, 0.00296714/step, 0.857173 hours remaining, 207.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3960000 736.6177 2030.5395 1966.0375 98.7647 -206583.9811 17779.8416 0.0000 0.0000 34180.9583 -149791.2219 298.5108 -183972.1801 -149697.4376 297.0574 -108.4388 -72.6683 556588.5635 -8.1363 -8.0616 PRESSURE: 3960200 68.6631 -17.5548 -214.618 -17.5532 117.516 6.99563 -214.619 6.99618 64.9393 GPRESSURE: 3960200 106.884 21.657 -205.148 -26.7937 152.295 -54.9534 -261.721 82.4787 81.5272 PRESSAVG: 3960200 -14.8328 -26.9978 -23.052 -26.9976 24.2584 13.3257 -23.0519 13.3259 39.4488 GPRESSAVG: 3960200 -14.0251 -27.2484 -22.6832 -24.6843 22.5412 12.6512 -24.3281 14.0241 39.7532 TIMING: 3960200 CPU: 11774.1, 0.00294156/step Wall: 11774.1, 0.00294156/step, 0.84962 hours remaining, 207.445312 MB of memory in use. ENERGY: 3960200 776.8182 2074.4100 1965.2777 113.3140 -206897.3227 17954.0583 0.0000 0.0000 34330.2989 -149683.1456 299.8150 -184013.4445 -149593.0869 299.0861 83.7062 113.5686 555575.3689 16.2915 16.0898 LDB: ============= START OF LOAD BALANCING ============== 11777.6 LDB: ============== END OF LOAD BALANCING =============== 11777.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11777.6 LDB: ============= START OF LOAD BALANCING ============== 11777.9 LDB: Largest compute 4796 load 0.024489 is 20.7% of average load 0.118264 LDB: Average compute 0.001730 is 1.5% of average load 0.118264 LDB: TIME 11777.9 LOAD: AVG 0.118264 MAX 0.197793 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.828 MB LDB: TIME 11777.9 LOAD: AVG 0.118264 MAX 0.197793 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.832 MB LDB: TIME 11777.9 LOAD: AVG 0.118264 MAX 0.197793 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.832 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11777.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11777.9 PRESSURE: 3960400 67.621 7.88179 -8.81423 7.88321 53.2683 63.2783 -8.8149 63.2778 63.9485 GPRESSURE: 3960400 137.118 29.918 -16.3283 65.867 114.82 180.17 12.0904 57.8627 29.4976 PRESSAVG: 3960400 2.98499 59.1883 -88.8926 59.1884 34.6562 14.7352 -88.8927 14.7351 15.9756 GPRESSAVG: 3960400 1.56389 58.0872 -88.9856 59.2645 35.7406 15.876 -87.5609 12.97 16.0349 TIMING: 3960400 CPU: 11774.7, 0.0030258/step Wall: 11774.7, 0.0030258/step, 0.873784 hours remaining, 207.253906 MB of memory in use. ENERGY: 3960400 719.6784 2102.1227 1943.9172 119.9012 -206617.6570 17910.4308 0.0000 0.0000 34013.4380 -149808.1686 297.0478 -183821.6066 -149706.6948 297.5551 61.6126 93.8118 556355.3620 17.8723 17.7798 PRESSURE: 3960600 -127.899 -42.3113 -60.2002 -42.3096 -41.0826 146.959 -60.2016 146.959 16.7679 GPRESSURE: 3960600 -70.4048 -89.2054 -136.337 -12.0649 -15.7075 194.622 -11.1802 147.434 43.5221 PRESSAVG: 3960600 8.84165 -5.37957 -61.4658 -5.37955 50.527 26.1344 -61.4658 26.1344 -37.1602 GPRESSAVG: 3960600 9.21926 -3.27911 -62.3379 -8.27142 49.9976 27.5634 -61.275 25.2895 -37.1868 TIMING: 3960600 CPU: 11775.2, 0.00294477/step Wall: 11775.2, 0.00294477/step, 0.850221 hours remaining, 207.253906 MB of memory in use. ENERGY: 3960600 738.4718 2098.9467 1942.7011 104.1750 -206629.6099 17856.4342 0.0000 0.0000 34302.8903 -149585.9908 299.5757 -183888.8811 -149488.6102 297.6515 -50.7379 -14.1967 557016.9289 7.4028 7.3434 PRESSURE: 3960800 80.7996 83.7717 23.2681 83.771 -163.503 -3.41295 23.2677 -3.41294 43.6422 GPRESSURE: 3960800 58.775 52.8768 -4.92904 103.345 -87.1773 36.9091 15.055 -28.8912 103.035 PRESSAVG: 3960800 -68.2147 -5.49764 -81.0919 -5.49747 16.659 -28.9834 -81.0919 -28.9833 19.3143 GPRESSAVG: 3960800 -69.5293 -6.67673 -80.1583 -5.31148 16.9344 -30.9341 -82.1748 -25.9678 20.5508 TIMING: 3960800 CPU: 11775.8, 0.00297245/step Wall: 11775.8, 0.00297245/step, 0.858046 hours remaining, 207.253906 MB of memory in use. ENERGY: 3960800 751.7104 2114.2941 1953.0261 117.8616 -206740.6542 17950.0219 0.0000 0.0000 34044.4173 -149809.3229 297.3184 -183853.7402 -149718.6958 298.0648 -13.0204 24.8774 556078.7752 -10.7471 -10.6814 PRESSURE: 3961000 90.905 -48.7424 88.6229 -48.7417 -267.464 -158.127 88.6237 -158.127 -5.79764 GPRESSURE: 3961000 145.527 -75.4458 148.549 42.61 -227.662 7.38939 132.853 -262.605 -11.4492 PRESSAVG: 3961000 -9.55712 2.72278 -2.42649 2.72286 61.2931 -34.6361 -2.42641 -34.6362 -45.617 GPRESSAVG: 3961000 -8.93401 3.07939 -2.28151 3.49729 60.1941 -31.0331 -1.24169 -37.3749 -45.981 TIMING: 3961000 CPU: 11776.4, 0.00296188/step Wall: 11776.4, 0.00296188/step, 0.854832 hours remaining, 207.253906 MB of memory in use. ENERGY: 3961000 752.9514 2110.3415 1931.4404 115.0178 -206780.6898 17869.5906 0.0000 0.0000 34132.5263 -149868.8218 298.0878 -184001.3481 -149768.4974 298.0897 -60.7854 -31.1947 557233.0506 2.0397 1.7597 PRESSURE: 3961200 37.8963 -152.295 -109.883 -152.295 192.706 -33.3311 -109.883 -33.331 -286.306 GPRESSURE: 3961200 31.9512 -154.551 -129.304 -102.975 189.19 -22.6284 -125.556 26.5462 -179.074 PRESSAVG: 3961200 -2.33992 -1.69721 -24.3303 -1.69722 34.4894 3.49923 -24.3303 3.4992 -58.5897 GPRESSAVG: 3961200 -0.959378 -1.12608 -25.035 -2.24909 34.1452 -0.681258 -24.8924 4.87939 -59.3362 TIMING: 3961200 CPU: 11777, 0.00294269/step Wall: 11777, 0.00294269/step, 0.849128 hours remaining, 207.253906 MB of memory in use. ENERGY: 3961200 733.7118 2136.5208 1972.2999 122.0155 -206576.1337 17853.2413 0.0000 0.0000 34091.9237 -149666.4208 297.7332 -183758.3445 -149569.4559 297.6489 -18.5681 14.0225 557912.8690 -8.8134 -8.7168 PRESSURE: 3961400 111.899 112.857 -78.5323 112.856 -35.5481 -4.47498 -78.533 -4.47373 -361.411 GPRESSURE: 3961400 97.3725 138.907 -14.2921 62.1916 -5.69474 -45.57 -71.3498 -12.6512 -284.448 PRESSAVG: 3961400 21.5623 -3.09341 -72.3517 -3.09347 32.6958 73.4431 -72.3517 73.4429 -9.31656 GPRESSAVG: 3961400 21.2912 -3.48003 -71.8896 -3.99324 32.555 75.5494 -70.6937 73.0677 -9.96665 TIMING: 3961400 CPU: 11777.6, 0.00292944/step Wall: 11777.6, 0.00292944/step, 0.845144 hours remaining, 207.253906 MB of memory in use. ENERGY: 3961400 750.8059 2093.7539 1938.1570 113.5777 -206572.9520 17843.4103 0.0000 0.0000 34145.6770 -149687.5703 298.2027 -183833.2473 -149592.0477 298.1739 -95.0198 -64.2566 558216.3674 14.9805 14.6265 PRESSURE: 3961600 41.1382 -150.509 -83.5885 -150.509 124.83 -131.76 -83.5871 -131.762 111.808 GPRESSURE: 3961600 49.1979 -128.63 -84.8157 -97.5246 192.774 -133.1 21.9574 -54.9801 118.663 PRESSAVG: 3961600 42.4952 21.9527 -38.9569 21.9526 15.039 4.07294 -38.9569 4.07291 -75.8571 GPRESSAVG: 3961600 42.357 20.7981 -39.2169 23.5916 15.6111 6.77737 -38.4936 2.7909 -76.3406 TIMING: 3961600 CPU: 11778.2, 0.00291895/step Wall: 11778.2, 0.00291895/step, 0.841955 hours remaining, 207.253906 MB of memory in use. ENERGY: 3961600 737.1100 2088.6124 1937.2452 115.2506 -206758.0550 18079.3353 0.0000 0.0000 34134.4754 -149666.0262 298.1049 -183800.5016 -149569.3133 298.1085 92.5923 120.2116 556556.4125 -6.1076 -6.1242 PRESSURE: 3961800 -278.347 -48.3074 -154.134 -48.3075 -101.268 33.6549 -154.135 33.6535 -62.5314 GPRESSURE: 3961800 -224.235 -83.6611 -146.756 -35.2559 -65.0087 7.77675 -141.252 11.4391 -62.2873 PRESSAVG: 3961800 23.9449 -17.2166 -20.0184 -17.2166 50.0717 19.2022 -20.0184 19.2023 -17.2311 GPRESSAVG: 3961800 23.922 -17.2373 -18.0785 -18.5947 49.6084 15.0291 -22.3722 19.4498 -16.6549 TIMING: 3961800 CPU: 11778.8, 0.00293363/step Wall: 11778.8, 0.00293363/step, 0.846025 hours remaining, 207.253906 MB of memory in use. ENERGY: 3961800 782.9005 2120.8365 1978.9460 108.2529 -206582.5313 17810.1304 0.0000 0.0000 34121.8705 -149659.5946 297.9948 -183781.4651 -149564.8797 298.1807 -147.3820 -117.1770 557671.3879 18.9285 18.9585 PRESSURE: 3962000 78.3597 -88.6438 6.27649 -88.6419 24.2743 51.5305 6.27731 51.5299 -35.4543 GPRESSURE: 3962000 104.498 -177.181 -49.993 -24.2201 76.2103 59.301 -14.2871 22.9872 -22.6678 PRESSAVG: 3962000 -14.4982 -8.33141 -34.5094 -8.3313 50.7693 -13.1741 -34.5094 -13.1741 -32.2053 GPRESSAVG: 3962000 -14.425 -8.22125 -39.355 -5.76619 51.9774 -11.1607 -30.553 -15.8347 -33.7185 TIMING: 3962000 CPU: 11779.4, 0.00294408/step Wall: 11779.4, 0.00294408/step, 0.848876 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3962000 749.0646 2101.8310 1977.9922 118.2689 -206655.8053 17854.0661 0.0000 0.0000 34079.8813 -149774.7013 297.6281 -183854.5826 -149682.2125 298.2485 22.3932 52.6801 555975.6456 1.3553 1.2779 PRESSURE: 3962200 268.714 24.8049 -21.9592 24.8048 124.192 89.919 -21.96 89.919 -72.7095 GPRESSURE: 3962200 307.977 15.3782 -69.9758 145.696 92.3369 149.006 48.7676 -36.0508 19.0689 PRESSAVG: 3962200 -78.2671 32.4311 44.8551 32.4311 86.0707 -34.2609 44.8549 -34.2611 -22.9718 GPRESSAVG: 3962200 -79.4715 34.4667 48.7053 30.7362 85.2679 -37.0967 42.4246 -30.0897 -21.0643 TIMING: 3962200 CPU: 11780, 0.0029444/step Wall: 11780, 0.0029444/step, 0.848805 hours remaining, 207.253906 MB of memory in use. ENERGY: 3962200 787.9399 2100.0549 1944.8355 117.9202 -206797.3421 17940.8801 0.0000 0.0000 34008.0013 -149897.7103 297.0003 -183905.7116 -149795.5036 298.1562 106.7320 139.7942 553826.7235 -5.0561 -5.0893 PRESSURE: 3962400 -47.2313 -144.075 28.7074 -144.075 -443.591 132.827 28.7057 132.827 87.1973 GPRESSURE: 3962400 -19.0728 -84.0423 -18.4985 -189.028 -409.809 202.888 77.2651 170.812 130.961 PRESSAVG: 3962400 -32.2034 13.6032 45.7223 13.6032 55.2318 -0.751499 45.7224 -0.75141 -26.6583 GPRESSAVG: 3962400 -31.0978 12.8004 44.023 14.1306 53.7794 -0.238484 46.4142 -2.26777 -25.8672 TIMING: 3962400 CPU: 11780.5, 0.00294702/step Wall: 11780.5, 0.00294702/step, 0.849398 hours remaining, 207.253906 MB of memory in use. ENERGY: 3962400 747.5843 2095.2767 1919.2906 110.2057 -206208.4404 17661.8703 0.0000 0.0000 33848.9202 -149825.2927 295.6110 -183674.2129 -149726.5590 298.0580 -134.5418 -99.3067 556538.3793 -1.2100 -1.0619 PRESSURE: 3962600 83.6128 -24.7042 -4.3462 -24.7052 6.94087 138.352 -4.34522 138.352 -174.501 GPRESSURE: 3962600 83.0468 3.60963 -62.6859 -43.3022 79.8055 111.77 68.1431 189.25 -151.846 PRESSAVG: 3962600 -66.8211 -34.6267 -39.0142 -34.6268 98.3367 34.5408 -39.0141 34.5409 3.93646 GPRESSAVG: 3962600 -67.6169 -34.2411 -39.3752 -35.3933 100.541 33.5958 -39.5747 35.9648 2.31117 TIMING: 3962600 CPU: 11781.1, 0.00295628/step Wall: 11781.1, 0.00295628/step, 0.851903 hours remaining, 207.253906 MB of memory in use. ENERGY: 3962600 741.5783 2104.7160 1921.5817 109.9867 -206348.2193 17649.6465 0.0000 0.0000 34279.2764 -149541.4337 299.3694 -183820.7101 -149442.9922 298.7812 -27.9823 3.6687 556237.0050 11.8174 11.7451 PRESSURE: 3962800 -1.39665 -70.9916 -123.958 -70.9932 -143.622 60.3674 -123.957 60.3651 120.778 GPRESSURE: 3962800 11.1701 -30.6621 -114.972 -18.8911 -117.407 109.584 -80.8268 24.0834 166.129 PRESSAVG: 3962800 -0.567188 23.1047 -42.5051 23.1047 106.311 82.8322 -42.505 82.8321 -82.0554 GPRESSAVG: 3962800 -1.03184 23.919 -40.887 23.0915 106.134 83.8234 -42.4375 81.7943 -81.1863 TIMING: 3962800 CPU: 11781.7, 0.00293794/step Wall: 11781.7, 0.00293794/step, 0.846452 hours remaining, 207.253906 MB of memory in use. ENERGY: 3962800 777.2692 2129.0638 1903.9390 120.2538 -206611.0648 17931.4859 0.0000 0.0000 34215.5045 -149533.5486 298.8125 -183749.0531 -149437.6787 298.9589 -8.0801 19.9641 557740.4178 7.8961 7.9719 PRESSURE: 3963000 -82.2212 89.2372 62.473 89.2382 -155.508 -70.8098 62.4717 -70.8097 -143.726 GPRESSURE: 3963000 -71.3908 39.7241 39.5361 35.4844 -115.307 -20.6292 -33.0604 -79.4718 -88.4165 PRESSAVG: 3963000 -57.2337 68.3409 -50.6471 68.3409 -7.09138 3.9009 -50.6471 3.90088 51.9085 GPRESSAVG: 3963000 -58.2126 69.2593 -51.6374 67.6851 -5.31455 4.45865 -51.2085 3.40402 50.8807 TIMING: 3963000 CPU: 11782.3, 0.0029545/step Wall: 11782.3, 0.0029545/step, 0.85106 hours remaining, 207.253906 MB of memory in use. ENERGY: 3963000 739.6470 2094.6087 1916.7001 116.2686 -206173.2510 17438.6215 0.0000 0.0000 34535.7270 -149331.6781 301.6091 -183867.4052 -149225.4559 298.4492 -127.1520 -91.7046 556329.8967 -4.1389 -4.2155 PRESSURE: 3963200 76.8956 109.017 18.0478 109.016 43.6886 -183.305 18.0479 -183.304 243.898 GPRESSURE: 3963200 144.775 157.734 17.2878 15.1859 61.5533 -117.849 21.0055 -236.376 261.89 PRESSAVG: 3963200 -7.46596 27.8874 -30.4794 27.8874 -19.8585 -11.2727 -30.4793 -11.2727 83.1284 GPRESSAVG: 3963200 -6.22086 26.6429 -30.9667 29.2851 -21.6242 -11.2196 -30.6368 -10.5923 83.2156 TIMING: 3963200 CPU: 11782.9, 0.00294129/step Wall: 11782.9, 0.00294129/step, 0.847091 hours remaining, 207.253906 MB of memory in use. ENERGY: 3963200 693.9365 2137.8229 1920.1636 103.6984 -206397.7176 17842.4960 0.0000 0.0000 34390.6723 -149308.9279 300.3423 -183699.6002 -149213.7222 299.5413 121.4940 156.0728 556214.1533 18.6013 18.4568 PRESSURE: 3963400 205.78 -36.1282 -1.12545 -36.1288 24.7651 72.0015 -1.12501 72 57.0685 GPRESSURE: 3963400 272.833 30.703 12.9108 -174.001 28.6295 130.335 -75.737 162.175 71.905 PRESSAVG: 3963400 38.4111 37.7299 33.6834 37.7298 -59.5439 16.7899 33.6834 16.7898 -2.04851 GPRESSAVG: 3963400 39.4595 38.9778 32.3194 36.6359 -60.422 18.2482 34.8563 14.4998 -2.10535 TIMING: 3963400 CPU: 11783.5, 0.00291651/step Wall: 11783.5, 0.00291651/step, 0.839794 hours remaining, 207.253906 MB of memory in use. ENERGY: 3963400 798.7097 2061.2766 1946.1254 135.5071 -206526.9003 18007.2204 0.0000 0.0000 34149.3573 -149428.7038 298.2348 -183578.0611 -149337.0342 299.0938 95.8713 124.4557 556842.5784 -7.7271 -7.6893 PRESSURE: 3963600 -143.032 41.4692 110.486 41.4693 -253.565 -11.3731 110.487 -11.373 -342.964 GPRESSURE: 3963600 -104.38 167.66 118.413 -17.0899 -219.256 -52.85 92.3105 97.3034 -320.063 PRESSAVG: 3963600 49.4375 30.1361 28.403 30.136 5.02026 18.5972 28.4031 18.5972 -63.8027 GPRESSAVG: 3963600 48.4464 28.8189 30.2844 30.1099 5.71069 17.2394 25.5514 20.0033 -63.5774 TIMING: 3963600 CPU: 11784.1, 0.00293882/step Wall: 11784.1, 0.00293882/step, 0.846054 hours remaining, 207.253906 MB of memory in use. ENERGY: 3963600 776.9208 2120.3343 1901.0101 114.6491 -206159.7543 17683.9756 0.0000 0.0000 34215.9181 -149346.9463 298.8161 -183562.8644 -149247.0113 298.6240 -246.5203 -214.5662 559567.2828 -3.1150 -3.1401 PRESSURE: 3963800 -184.867 52.0624 71.7573 52.0607 128.048 -94.6137 71.7584 -94.6139 4.37238 GPRESSURE: 3963800 -164.991 75.9686 42.478 50.3827 156.096 -38.3364 34.528 -113.281 53.4686 PRESSAVG: 3963800 56.0751 -34.3485 22.0753 -34.3484 5.14145 -41.2561 22.0753 -41.256 -41.7474 GPRESSAVG: 3963800 55.4962 -34.387 20.685 -33.5829 5.67656 -42.5667 24.0402 -41.7161 -41.4487 TIMING: 3963800 CPU: 11784.7, 0.00294958/step Wall: 11784.7, 0.00294958/step, 0.848988 hours remaining, 207.253906 MB of memory in use. ENERGY: 3963800 770.8615 2078.4002 1939.7379 132.0984 -206222.8632 17758.5782 0.0000 0.0000 34398.9241 -149144.2630 300.4144 -183543.1871 -149038.5517 299.3919 -17.4819 14.8577 557095.7192 6.4897 6.5747 PRESSURE: 3964000 139.895 -91.8813 125.572 -91.8813 -67.3282 -2.41915 125.572 -2.41949 209.724 GPRESSURE: 3964000 193.768 -129.814 109.376 -48.2284 -58.1576 -8.7096 58.3579 -3.82991 229.013 PRESSAVG: 3964000 -69.1487 31.64 -12.3829 31.6401 34.7892 58.8347 -12.383 58.8346 -9.13405 GPRESSAVG: 3964000 -67.8494 31.3927 -10.9461 31.0293 33.9327 58.997 -14.4746 57.9871 -9.5523 TIMING: 3964000 CPU: 11785.2, 0.00293595/step Wall: 11785.2, 0.00293595/step, 0.844901 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3964000 731.6787 2140.3803 1934.7619 123.6532 -206478.7301 17844.6454 0.0000 0.0000 34348.6970 -149354.9135 299.9757 -183703.6105 -149258.2318 299.3255 94.0968 121.5412 555337.0586 -14.4978 -14.4896 PRESSURE: 3964200 -77.0665 -74.3591 98.0175 -74.3578 122.442 -62.9377 98.0171 -62.9379 -76.6819 GPRESSURE: 3964200 27.2847 -2.81295 36.9339 -16.2224 104.458 -137.135 104.868 -56.6933 -65.8721 PRESSAVG: 3964200 9.38442 40.3999 32.4615 40.4 3.38317 10.0169 32.4615 10.017 -48.5262 GPRESSAVG: 3964200 8.2327 39.7722 34.0804 42.0311 3.46444 8.26722 33.8196 10.5114 -47.8068 TIMING: 3964200 CPU: 11785.8, 0.00294635/step Wall: 11785.8, 0.00294635/step, 0.847732 hours remaining, 207.253906 MB of memory in use. ENERGY: 3964200 730.4855 2109.3820 1939.3880 109.8188 -206044.0982 17720.6810 0.0000 0.0000 34291.5395 -149142.8034 299.4765 -183434.3429 -149053.8717 299.4904 -10.4355 21.9570 559056.6083 -11.9195 -12.0366 LDB: ============= START OF LOAD BALANCING ============== 11789.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11789.4 LDB: =============== DONE WITH MIGRATION ================ 11789.4 LDB: ============= START OF LOAD BALANCING ============== 11789.7 LDB: Largest compute 4796 load 0.023984 is 20.3% of average load 0.118247 LDB: Average compute 0.001735 is 1.5% of average load 0.118247 LDB: TIME 11789.7 LOAD: AVG 0.118247 MAX 0.19802 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.188 MB LDB: TIME 11789.7 LOAD: AVG 0.118247 MAX 0.19802 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.188 MB LDB: TIME 11789.7 LOAD: AVG 0.118247 MAX 0.19802 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11789.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11789.7 PRESSURE: 3964400 129.983 13.6696 82.5947 13.6701 -134.359 108.776 82.5949 108.776 -308.866 GPRESSURE: 3964400 124.806 39.1838 88.3346 -85.5531 -78.196 172.906 72.6226 67.8037 -258.096 PRESSAVG: 3964400 32.3328 11.1442 -1.1238 11.1442 19.1334 -29.2126 -1.12387 -29.2126 -34.7743 GPRESSAVG: 3964400 32.7311 12.308 -3.98992 9.79406 19.6698 -26.4659 2.84864 -29.9391 -35.6831 TIMING: 3964400 CPU: 11786.4, 0.00300613/step Wall: 11786.4, 0.00300613/step, 0.864764 hours remaining, 207.187500 MB of memory in use. ENERGY: 3964400 733.9564 2108.5989 1938.6349 102.5873 -205984.2528 17685.6624 0.0000 0.0000 34219.0847 -149195.7282 298.8438 -183414.8129 -149090.3454 299.4467 -104.4141 -70.4953 557570.5838 5.5640 5.5726 PRESSURE: 3964600 19.5601 -50.3662 -100.332 -50.3651 17.9177 75.2035 -100.332 75.2042 -10.8266 GPRESSURE: 3964600 58.8351 -94.3218 -77.6829 -50.9957 67.7637 95.2263 -16.9903 83.3876 6.08502 PRESSAVG: 3964600 40.3456 -32.2993 47.337 -32.2991 28.1995 -6.4829 47.3369 -6.4829 -52.4943 GPRESSAVG: 3964600 39.8718 -32.1916 46.9087 -29.9686 28.6723 -6.50876 45.4831 -4.13947 -51.8373 TIMING: 3964600 CPU: 11787, 0.00297056/step Wall: 11787, 0.00297056/step, 0.854367 hours remaining, 207.187500 MB of memory in use. ENERGY: 3964600 757.2163 2171.0494 1923.2412 105.6034 -206237.3930 17996.6945 0.0000 0.0000 34133.2391 -149150.3490 298.0941 -183283.5881 -149065.1066 299.3641 8.8838 44.2280 557729.8189 5.3502 5.5690 PRESSURE: 3964800 -73.0294 -159.992 12.8401 -159.992 -48.1579 -19.8577 12.8397 -19.8582 -111.644 GPRESSURE: 3964800 -36.6204 -154.789 66.0599 -187.961 -7.63688 -124.868 14.5101 75.7388 -101.061 PRESSAVG: 3964800 50.2015 -11.8314 75.0915 -11.8313 19.5524 30.5798 75.0915 30.5798 -49.5522 GPRESSAVG: 3964800 50.9908 -12.4832 76.5939 -13.221 19.3274 31.3847 75.185 29.1325 -49.5706 TIMING: 3964800 CPU: 11787.6, 0.00296358/step Wall: 11787.6, 0.00296358/step, 0.852195 hours remaining, 207.187500 MB of memory in use. ENERGY: 3964800 734.5490 2081.5089 1925.3877 93.2795 -206215.3036 17811.3432 0.0000 0.0000 34402.0664 -149167.1688 300.4418 -183569.2352 -149064.6356 299.3587 -77.6105 -48.4394 558868.6618 6.7339 6.9159 PRESSURE: 3965000 43.8006 178.44 -33.8312 178.44 -75.3162 83.9692 -33.8323 83.9688 154.494 GPRESSURE: 3965000 52.8299 107.665 27.3344 188.828 -14.1626 100.407 -3.42055 128.806 195.447 PRESSAVG: 3965000 15.081 -20.1047 15.3505 -20.1047 11.3907 14.0785 15.3505 14.0785 -13.6669 GPRESSAVG: 3965000 16.1841 -21.0188 16.2416 -19.0581 11.4235 12.9316 12.8363 13.0353 -14.7643 TIMING: 3965000 CPU: 11788.2, 0.00296803/step Wall: 11788.2, 0.00296803/step, 0.853308 hours remaining, 207.187500 MB of memory in use. ENERGY: 3965000 766.2744 2048.7620 1951.3210 116.6753 -206228.8711 17928.8955 0.0000 0.0000 34016.5086 -149400.4343 297.0746 -183416.9429 -149301.3519 298.1127 40.9928 78.0381 557887.9784 4.2683 4.2811 PRESSURE: 3965200 283.581 -5.2257 -36.749 -5.22528 433.9 -106.661 -36.7508 -106.663 152.116 GPRESSURE: 3965200 337.43 1.48044 -41.72 14.5139 457.568 -153.703 -63.9877 -49.5666 163.169 PRESSAVG: 3965200 38.8501 -21.3962 8.83118 -21.3962 -39.5938 -15.9694 8.83121 -15.9695 -6.25596 GPRESSAVG: 3965200 37.0346 -19.9061 4.79347 -22.9807 -38.9815 -14.4982 11.9733 -15.4172 -4.64692 TIMING: 3965200 CPU: 11788.8, 0.0029777/step Wall: 11788.8, 0.0029777/step, 0.855924 hours remaining, 207.187500 MB of memory in use. ENERGY: 3965200 711.9408 2049.4936 1937.9393 123.0179 -206454.3491 18055.0592 0.0000 0.0000 34151.0204 -149425.8779 298.2494 -183576.8984 -149335.0549 298.7137 289.8657 319.3890 557496.6087 -2.3332 -2.1979 PRESSURE: 3965400 105.57 -122.238 110.649 -122.238 110.685 -39.9708 110.648 -39.9705 253.927 GPRESSURE: 3965400 92.4989 -125.978 98.4152 -83.5817 190.053 -86.14 159.149 -3.72028 289.007 PRESSAVG: 3965400 5.9265 37.3757 10.3106 37.3757 -67.3593 56.854 10.3106 56.854 96.7231 GPRESSAVG: 3965400 6.49487 36.091 14.8912 36.9015 -68.2563 57.331 6.98324 54.8603 96.716 TIMING: 3965400 CPU: 11789.4, 0.002965/step Wall: 11789.4, 0.002965/step, 0.852108 hours remaining, 207.187500 MB of memory in use. ENERGY: 3965400 702.0706 2079.5763 1955.9782 111.3295 -206974.8268 18093.2082 0.0000 0.0000 34283.5960 -149749.0680 299.4072 -184032.6640 -149660.4136 298.2668 156.7274 190.5197 555145.0118 11.7634 11.6515 PRESSURE: 3965600 -175.175 -44.0811 -16.2515 -44.0819 -92.4218 32.5579 -16.252 32.5577 -102.496 GPRESSURE: 3965600 -138.484 -75.127 -21.9825 51.9695 -68.2233 35.118 -6.28964 50.6202 -56.8373 PRESSAVG: 3965600 -16.2621 30.3161 26.761 30.3161 57.702 41.9777 26.761 41.9777 -12.2262 GPRESSAVG: 3965600 -15.5044 31.2032 24.4825 30.6784 57.5063 40.7123 28.6051 44.6704 -12.8378 TIMING: 3965600 CPU: 11790, 0.00295118/step Wall: 11790, 0.00295118/step, 0.847972 hours remaining, 207.187500 MB of memory in use. ENERGY: 3965600 725.9416 2080.0835 1922.3598 113.8033 -206236.3104 17522.1399 0.0000 0.0000 34319.0063 -149552.9760 299.7164 -183871.9823 -149458.6161 298.6460 -123.3641 -87.8482 555449.8962 9.7379 9.7214 PRESSURE: 3965800 225.453 -21.1959 24.6788 -21.1962 121.048 166.741 24.6785 166.74 -96.6053 GPRESSURE: 3965800 275.22 -17.6135 -19.4648 -40.1015 139.631 111.4 89.3627 155.569 -82.8715 PRESSAVG: 3965800 75.5641 27.2928 29.6676 27.2928 -23.1641 6.56497 29.6675 6.56486 -46.2016 GPRESSAVG: 3965800 74.2286 27.068 28.6029 27.2392 -22.2969 7.68111 31.1556 4.98472 -45.769 TIMING: 3965800 CPU: 11790.6, 0.00293821/step Wall: 11790.6, 0.00293821/step, 0.844082 hours remaining, 207.187500 MB of memory in use. ENERGY: 3965800 741.2151 2097.2931 1929.2567 119.0817 -206667.3183 18029.7985 0.0000 0.0000 34340.3828 -149410.2905 299.9031 -183750.6733 -149317.4856 299.2000 83.2985 110.6598 556320.0244 2.0662 2.0543 PRESSURE: 3966000 -368.505 -69.89 -132.477 -69.8906 -304.177 -107.893 -132.476 -107.892 -315.434 GPRESSURE: 3966000 -339.446 -75.9222 -116.285 -63.0131 -299.339 -198.527 -111.733 -71.1267 -235.362 PRESSAVG: 3966000 12.8073 26.5563 -4.8188 26.5562 7.79654 1.1501 -4.81871 1.15016 -43.8772 GPRESSAVG: 3966000 13.9637 26.6714 -2.08442 26.6777 7.22454 -0.0267596 -8.02093 1.31532 -44.4183 TIMING: 3966000 CPU: 11791.2, 0.0029516/step Wall: 11791.2, 0.0029516/step, 0.847766 hours remaining, 207.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3966000 776.2952 2054.8691 1907.0852 104.0815 -205972.1752 17513.9231 0.0000 0.0000 34019.4628 -149596.4583 297.1004 -183615.9211 -149497.7121 298.6179 -329.3722 -291.3825 559699.8306 -7.7578 -7.7434 PRESSURE: 3966200 -356.874 -117.341 111.913 -117.341 -267.423 -50.9396 111.913 -50.9415 42.4067 GPRESSURE: 3966200 -286.595 -194.208 135.631 -65.2007 -202.441 -33.9749 152.257 -1.87266 3.5097 PRESSAVG: 3966200 -37.2546 25.6568 -15.9658 25.6568 11.5411 5.19453 -15.9658 5.19459 22.5123 GPRESSAVG: 3966200 -37.5606 23.0187 -17.0336 25.4119 11.6914 8.31994 -15.857 5.13499 22.8727 TIMING: 3966200 CPU: 11791.8, 0.00295134/step Wall: 11791.8, 0.00295134/step, 0.847528 hours remaining, 207.187500 MB of memory in use. ENERGY: 3966200 739.5302 2044.5511 1932.9306 104.6627 -205969.7882 17636.0565 0.0000 0.0000 33927.8233 -149584.2337 296.3001 -183512.0570 -149491.1787 298.3398 -193.9634 -161.8422 557555.4187 -1.0671 -0.9988 PRESSURE: 3966400 -19.3891 30.0886 148.269 30.09 123.015 169.673 148.269 169.674 247.048 GPRESSURE: 3966400 34.5779 102.456 93.3703 13.0861 145.392 177.625 134.785 217.041 273.629 PRESSAVG: 3966400 -19.782 16.362 18.5378 16.362 -34.9117 16.0436 18.5379 16.0437 61.8131 GPRESSAVG: 3966400 -19.0524 20.8329 19.5319 14.0371 -34.6611 11.9477 19.0055 18.1137 60.5814 TIMING: 3966400 CPU: 11792.4, 0.00295963/step Wall: 11792.4, 0.00295963/step, 0.849743 hours remaining, 207.187500 MB of memory in use. ENERGY: 3966400 786.1339 2065.4849 1945.2762 116.5076 -206794.6654 18098.6603 0.0000 0.0000 34055.0209 -149727.5815 297.4110 -183782.6024 -149634.7138 298.2400 116.8911 151.1995 555761.8519 2.3731 2.2893 PRESSURE: 3966600 -314.506 39.0358 47.8962 39.0349 93.0907 116.645 47.8957 116.647 -137.827 GPRESSURE: 3966600 -252.028 3.55103 11.2304 62.1712 127.743 155.498 89.1766 19.9777 -134.884 PRESSAVG: 3966600 -27.5533 -7.46684 84.4934 -7.46697 29.4928 -17.51 84.4934 -17.5099 26.9949 GPRESSAVG: 3966600 -28.3338 -10.3118 84.8225 -4.32812 31.2224 -15.0017 84.222 -19.575 26.5247 TIMING: 3966600 CPU: 11793, 0.00297375/step Wall: 11793, 0.00297375/step, 0.853631 hours remaining, 207.187500 MB of memory in use. ENERGY: 3966600 731.6649 2060.0202 1947.5261 107.0000 -206368.4123 17725.0374 0.0000 0.0000 34009.8173 -149787.3464 297.0162 -183797.1637 -149695.4747 298.0802 -119.7474 -86.3899 557215.5330 9.6448 9.8044 PRESSURE: 3966800 15.948 -71.6177 -123.514 -71.6169 382.962 -81.102 -123.514 -81.1014 206.734 GPRESSURE: 3966800 50.0991 -32.5517 -122.626 -46.0922 394.373 -53.8652 -19.1236 -130.578 258.918 PRESSAVG: 3966800 -14.507 13.5915 25.2378 13.5915 107.97 -12.2549 25.2377 -12.2548 -46.1944 GPRESSAVG: 3966800 -14.9465 14.2075 25.8882 11.8422 104.87 -15.4673 25.7122 -12.2241 -43.0551 TIMING: 3966800 CPU: 11793.5, 0.00293924/step Wall: 11793.5, 0.00293924/step, 0.843563 hours remaining, 207.187500 MB of memory in use. ENERGY: 3966800 721.4000 2082.7828 1916.6215 126.7391 -207006.3948 18319.8617 0.0000 0.0000 34245.6472 -149593.3425 299.0758 -183838.9898 -149495.4436 297.8450 201.8814 234.4636 557635.6082 15.7561 15.6226 PRESSURE: 3967000 65.3393 187.041 115.591 187.041 -293.175 -164.372 115.591 -164.373 170.821 GPRESSURE: 3967000 112.918 203.562 103.637 198.123 -264.473 -126.006 123.458 -76.0854 187.156 PRESSAVG: 3967000 20.2505 -11.8439 12.8609 -11.8439 -53.9906 -46.9127 12.8608 -46.9127 -3.03634 GPRESSAVG: 3967000 20.4429 -12.5788 12.2964 -12.1694 -52.3291 -45.4897 13.0769 -46.0889 -4.6566 TIMING: 3967000 CPU: 11794.1, 0.00294478/step Wall: 11794.1, 0.00294478/step, 0.844987 hours remaining, 207.187500 MB of memory in use. ENERGY: 3967000 727.4014 2066.7162 1934.8480 131.7718 -206435.8186 17805.0666 0.0000 0.0000 34226.0377 -149543.9768 298.9045 -183770.0145 -149447.1899 297.8643 -19.0049 11.8670 556628.2854 -12.2588 -12.1809 PRESSURE: 3967200 -282.674 57.9615 97.4578 57.9607 -139.19 -2.59739 97.4586 -2.59775 75.836 GPRESSURE: 3967200 -287.191 122.586 43.9293 -32.3254 -117.831 -2.48724 152.929 39.0559 154.837 PRESSAVG: 3967200 -10.3359 28.2396 11.8937 28.2396 9.5774 29.9946 11.8938 29.9947 45.4591 GPRESSAVG: 3967200 -10.2856 29.9858 11.8805 29.3457 9.40779 31.7867 12.6291 30.3219 45.5132 TIMING: 3967200 CPU: 11794.7, 0.00297235/step Wall: 11794.7, 0.00297235/step, 0.852733 hours remaining, 207.187500 MB of memory in use. ENERGY: 3967200 751.5786 2024.2531 1920.6337 104.5174 -206065.3865 17750.2868 0.0000 0.0000 34099.2888 -149414.8281 297.7976 -183514.1169 -149310.8426 298.7048 -115.3428 -83.3950 559374.5473 14.9002 14.8785 PRESSURE: 3967400 -220.218 -80.2643 -21.2626 -80.2644 19.0242 84.8484 -21.2632 84.8486 -159.911 GPRESSURE: 3967400 -198.534 -91.6926 36.0641 -125.184 89.6027 105.795 -28.472 73.1898 -151.716 PRESSAVG: 3967400 -55.8692 -6.22212 18.2709 -6.2222 72.3938 26.1679 18.271 26.1678 -30.6424 GPRESSAVG: 3967400 -57.3638 -7.3614 16.1638 -7.60026 72.5378 22.6752 17.4628 28.3364 -29.3586 TIMING: 3967400 CPU: 11795.3, 0.0029304/step Wall: 11795.3, 0.0029304/step, 0.840535 hours remaining, 207.187500 MB of memory in use. ENERGY: 3967400 791.4396 2050.2466 1909.7143 121.9843 -206089.6180 17751.1538 0.0000 0.0000 34140.2967 -149324.7827 298.1557 -183465.0793 -149235.2207 298.6739 -120.3683 -86.8825 558930.5612 -4.7059 -4.7282 PRESSURE: 3967600 -70.1218 73.4442 118.881 73.4453 -187.441 69.7208 118.882 69.7206 8.58315 GPRESSURE: 3967600 12.597 177.69 68.9251 81.3489 -208.636 30.8848 58.7998 -24.4576 49.8989 PRESSAVG: 3967600 -12.4978 -9.59871 9.65831 -9.59875 -10.2872 32.2512 9.65832 32.2512 28.7031 GPRESSAVG: 3967600 -12.3467 -8.89232 12.5751 -9.49243 -8.76433 32.8539 9.75514 30.8803 27.8015 TIMING: 3967600 CPU: 11795.9, 0.00296166/step Wall: 11795.9, 0.00296167/step, 0.84934 hours remaining, 207.187500 MB of memory in use. ENERGY: 3967600 755.1217 2075.6177 1932.5529 118.7659 -206002.8413 17805.1503 0.0000 0.0000 34047.9873 -149267.6455 297.3495 -183315.6327 -149165.9533 298.7599 -82.9931 -48.7134 559034.5262 1.9727 2.2301 PRESSURE: 3967800 -81.4797 -182.204 -18.3535 -182.203 -116.298 157.985 -18.3524 157.984 -98.8382 GPRESSURE: 3967800 -41.6441 -293.887 -60.13 -99.0775 -52.1401 79.8578 29.4402 283.903 -99.5306 PRESSAVG: 3967800 -104.156 -18.2286 22.8236 -18.2284 61.2427 47.4077 22.8235 47.4077 81.5131 GPRESSAVG: 3967800 -102.941 -19.7243 20.0564 -17.2645 59.503 47.0691 25.2786 47.2088 82.3012 TIMING: 3967800 CPU: 11796.5, 0.00294611/step Wall: 11796.5, 0.00294611/step, 0.844714 hours remaining, 207.187500 MB of memory in use. ENERGY: 3967800 752.9809 2079.7181 1899.7142 113.7941 -205988.2345 17707.9910 0.0000 0.0000 34183.8157 -149250.2206 298.5358 -183434.0363 -149146.1780 299.3116 -98.8721 -64.4383 560128.9014 12.8666 12.9543 PRESSURE: 3968000 -199.212 -0.547722 156.358 -0.547076 -294.187 52.3591 156.36 52.359 -205.246 GPRESSURE: 3968000 -207.569 -7.44988 85.9641 45.8604 -246.677 131.251 148.49 -70.5953 -141.238 PRESSAVG: 3968000 -5.93006 15.9603 -50.5843 15.9604 -50.0223 2.08319 -50.5842 2.08317 45.8492 GPRESSAVG: 3968000 -5.93552 16.9612 -48.8126 17.1411 -47.8569 1.99399 -53.4795 1.94575 43.4818 TIMING: 3968000 CPU: 11797.1, 0.00295161/step Wall: 11797.1, 0.00295161/step, 0.84613 hours remaining, 207.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3968000 738.3527 2082.7768 1916.4891 108.3050 -205990.2675 17414.8968 0.0000 0.0000 34622.4971 -149106.9501 302.3669 -183729.4471 -149009.1338 299.5759 -232.8814 -198.4944 559124.9242 -3.3677 -3.4369 PRESSURE: 3968200 -66.5298 -4.64184 7.51873 -4.64206 -284.593 59.8377 7.51792 59.8379 -5.52896 GPRESSURE: 3968200 11.0086 -72.0724 73.772 61.976 -223.853 96.8682 -24.1417 48.0098 -49.7739 PRESSAVG: 3968200 32.4999 18.6399 27.0596 18.6399 -2.89224 -4.5176 27.0596 -4.51761 -23.5578 GPRESSAVG: 3968200 33.5769 17.1639 25.6914 17.2387 -4.57251 -5.02951 29.0672 -4.62422 -23.0074 TIMING: 3968200 CPU: 11797.7, 0.00297467/step Wall: 11797.7, 0.00297467/step, 0.852574 hours remaining, 207.187500 MB of memory in use. ENERGY: 3968200 768.2274 2048.2216 1935.7942 94.9221 -206240.8004 17711.1888 0.0000 0.0000 34346.1706 -149336.2758 299.9537 -183682.4464 -149228.5858 299.5977 -118.8838 -87.5395 557786.0363 2.0166 1.9990 LDB: ============= START OF LOAD BALANCING ============== 11801.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11801.2 LDB: =============== DONE WITH MIGRATION ================ 11801.2 LDB: ============= START OF LOAD BALANCING ============== 11801.5 LDB: Largest compute 4796 load 0.023520 is 19.9% of average load 0.118279 LDB: Average compute 0.001737 is 1.5% of average load 0.118279 LDB: TIME 11801.5 LOAD: AVG 0.118279 MAX 0.197427 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.676 MB LDB: TIME 11801.5 LOAD: AVG 0.118279 MAX 0.197427 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.676 MB LDB: TIME 11801.5 LOAD: AVG 0.118279 MAX 0.197427 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.676 MB LDB: ============== END OF LOAD BALANCING =============== 11801.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11801.5 PRESSURE: 3968400 38.1285 -29.6882 -68.0827 -29.6884 295.403 -89.4778 -68.0827 -89.4764 -175.941 GPRESSURE: 3968400 61.3571 -82.678 -96.166 -59.9009 330.708 -49.1491 -34.5739 -146.761 -138.476 PRESSAVG: 3968400 55.3586 32.6381 29.8225 32.6383 -41.7566 15.1018 29.8226 15.1018 -25.6808 GPRESSAVG: 3968400 54.3622 33.2338 30.6625 34.1509 -41.5252 16.542 29.193 15.0169 -24.431 TIMING: 3968400 CPU: 11798.3, 0.00299779/step Wall: 11798.3, 0.00299779/step, 0.859033 hours remaining, 207.312500 MB of memory in use. ENERGY: 3968400 744.0724 2044.6305 1918.5451 103.8986 -206377.5853 17894.7662 0.0000 0.0000 34271.5229 -149400.1496 299.3017 -183671.6725 -149300.2321 298.6729 52.5302 84.5298 556169.3901 -4.0263 -3.8646 PRESSURE: 3968600 -159.6 23.6592 -58.0467 23.6601 152.465 113.36 -58.0465 113.359 -184.504 GPRESSURE: 3968600 -124.72 28.1371 -92.9633 -51.6488 125.724 184.125 -54.93 93.737 -95.3179 PRESSAVG: 3968600 22.4923 -43.6812 -39.3266 -43.6812 -14.8885 5.86328 -39.3265 5.86323 -14.5119 GPRESSAVG: 3968600 22.6094 -44.6478 -39.4268 -45.0005 -14.8569 7.10854 -39.0602 6.09978 -15.0634 TIMING: 3968600 CPU: 11798.9, 0.00292373/step Wall: 11798.9, 0.00292373/step, 0.837649 hours remaining, 207.312500 MB of memory in use. ENERGY: 3968600 727.7963 2019.0216 1927.6217 110.3946 -205935.6529 17593.0829 0.0000 0.0000 34269.4662 -149288.2696 299.2838 -183557.7358 -149181.9323 299.0382 -63.8799 -31.4381 556975.7839 -2.3027 -2.4369 PRESSURE: 3968800 -104.077 123.371 86.6612 123.371 11.8224 -3.51284 86.661 -3.5124 -121.561 GPRESSURE: 3968800 -34.2237 133.918 147.445 39.0198 -25.7999 43.155 79.5569 -50.9483 -53.5783 PRESSAVG: 3968800 -24.3072 -17.8505 -17.1598 -17.8505 28.1594 43.1924 -17.1598 43.1925 -24.3695 GPRESSAVG: 3968800 -23.2881 -15.843 -16.9442 -17.567 27.6094 43.0398 -19.5056 40.6585 -24.7156 TIMING: 3968800 CPU: 11799.5, 0.0029375/step Wall: 11799.5, 0.0029375/step, 0.841431 hours remaining, 207.312500 MB of memory in use. ENERGY: 3968800 729.1281 2136.8785 1917.0689 110.0961 -206122.0963 17662.6511 0.0000 0.0000 34217.0831 -149349.1906 298.8263 -183566.2737 -149248.7333 298.4746 -71.2719 -37.8673 556116.3221 -6.8391 -6.7981 PRESSURE: 3969000 -121.119 -44.8924 52.2712 -44.8929 -15.7501 -50.3095 52.2717 -50.3103 -72.8195 GPRESSURE: 3969000 -118.06 -82.6403 -24.2413 -19.606 -59.4914 -18.0557 98.4692 -22.6665 56.2048 PRESSAVG: 3969000 44.3354 51.847 -20.9485 51.8469 -17.5779 -36.262 -20.9486 -36.2622 5.75283 GPRESSAVG: 3969000 42.757 51.3319 -20.0362 53.0493 -16.431 -37.7574 -20.4969 -33.7142 5.96452 TIMING: 3969000 CPU: 11800, 0.00297982/step Wall: 11800, 0.00297982/step, 0.853387 hours remaining, 207.312500 MB of memory in use. ENERGY: 3969000 750.5528 2045.9099 1909.3010 118.6060 -206250.7537 17729.3112 0.0000 0.0000 34123.1516 -149573.9212 298.0060 -183697.0728 -149469.7871 298.8390 -69.8961 -40.4489 556022.5974 10.8368 10.7635 PRESSURE: 3969200 39.4736 -20.3298 25.1424 -20.3295 193.539 -76.1058 25.1429 -76.1066 -67.7629 GPRESSURE: 3969200 154.979 -56.7643 41.8111 23.8103 176.348 -93.0004 2.80151 -9.45521 -62.6661 PRESSAVG: 3969200 -32.9649 -60.3686 13.4578 -60.3685 36.8748 36.5608 13.4578 36.5607 21.2195 GPRESSAVG: 3969200 -33.5799 -58.288 12.4481 -62.0305 37.9418 37.6919 14.1012 35.4998 20.4853 TIMING: 3969200 CPU: 11800.6, 0.00295147/step Wall: 11800.6, 0.00295147/step, 0.845105 hours remaining, 207.312500 MB of memory in use. ENERGY: 3969200 697.1944 2045.8806 1935.4812 110.5756 -206405.7350 17885.4773 0.0000 0.0000 34244.2016 -149486.9242 299.0631 -183731.1258 -149394.4443 298.7224 55.0833 89.5535 557349.6657 8.3765 8.2824 PRESSURE: 3969400 -341.368 -55.1957 -135.858 -55.1948 -175.877 24.7649 -135.857 24.7645 -243.715 GPRESSURE: 3969400 -338.65 4.69723 -177.849 -195.387 -66.9525 53.2892 39.2808 -72.8278 -253.647 PRESSAVG: 3969400 28.4843 -26.5962 -90.5272 -26.5962 -47.9275 17.1896 -90.5272 17.1897 -20.3831 GPRESSAVG: 3969400 28.9217 -28.7904 -90.8255 -24.973 -49.3406 17.1973 -90.0558 17.5628 -18.5947 TIMING: 3969400 CPU: 11801.2, 0.00297531/step Wall: 11801.2, 0.00297531/step, 0.851764 hours remaining, 207.312500 MB of memory in use. ENERGY: 3969400 735.0448 2065.1215 1924.5861 119.6287 -205829.8155 17386.8404 0.0000 0.0000 34212.9164 -149385.6778 298.7899 -183598.5941 -149281.2536 298.2802 -253.6529 -219.7496 557574.8584 -13.2754 -13.0045 PRESSURE: 3969600 -84.2654 18.1986 -25.3326 18.1981 -18.7474 -31.153 -25.3338 -31.1521 -443.163 GPRESSURE: 3969600 -77.7866 -46.2557 21.997 55.6072 69.813 -90.2158 -68.6599 11.0819 -436.462 PRESSAVG: 3969600 9.78114 -15.0669 20.0591 -15.0668 -1.49124 -23.0368 20.0591 -23.0368 15.0898 GPRESSAVG: 3969600 9.80565 -14.4959 21.7114 -13.4811 -1.06599 -24.5824 18.0763 -21.0072 14.9578 TIMING: 3969600 CPU: 11801.8, 0.00297593/step Wall: 11801.8, 0.00297593/step, 0.851777 hours remaining, 207.312500 MB of memory in use. ENERGY: 3969600 769.6926 2092.9336 1926.3926 123.0810 -206036.0805 17694.9123 0.0000 0.0000 34005.9466 -149423.1217 296.9824 -183429.0684 -149330.8121 298.3373 -182.0585 -148.1453 558766.0664 7.7932 7.8992 PRESSURE: 3969800 5.67734 -30.1333 -173.915 -30.1336 -189.91 -0.358781 -173.915 -0.358779 83.3055 GPRESSURE: 3969800 30.7629 29.0124 -213.592 -54.0089 -156.218 16.445 -92.2676 -44.546 127.368 PRESSAVG: 3969800 48.8056 29.6627 -7.59307 29.6627 -25.8176 28.0379 -7.59303 28.038 1.60037 GPRESSAVG: 3969800 48.3042 30.5409 -8.75419 25.5889 -25.9832 29.5583 -5.90808 26.0748 2.37367 TIMING: 3969800 CPU: 11802.4, 0.00293837/step Wall: 11802.4, 0.00293837/step, 0.840862 hours remaining, 207.312500 MB of memory in use. ENERGY: 3969800 724.1901 2105.4098 1905.9976 118.1724 -206391.6761 17825.9000 0.0000 0.0000 34273.9681 -149438.0381 299.3231 -183712.0062 -149339.3771 298.4363 -33.6423 0.6376 556387.1676 8.1961 8.2316 PRESSURE: 3970000 -368.211 -179.738 -1.02638 -179.736 179.033 27.2123 -1.02646 27.2127 -229.688 GPRESSURE: 3970000 -320.379 -155.68 -37.6811 -192.519 132.782 143.125 29.3553 -12.3059 -140.165 PRESSAVG: 3970000 -11.9373 -18.8381 -37.0115 -18.8382 -88.5066 10.0359 -37.0116 10.0358 69.5681 GPRESSAVG: 3970000 -12.4777 -19.121 -37.9135 -18.2104 -89.3508 7.93433 -37.1126 12.6253 70.3625 TIMING: 3970000 CPU: 11803, 0.00295798/step Wall: 11803, 0.00295798/step, 0.84631 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3970000 751.0478 2105.1842 1936.3738 110.1124 -206127.9893 17662.1128 0.0000 0.0000 34132.8072 -149430.3511 298.0903 -183563.1583 -149337.7687 298.8226 -139.6218 -109.2538 558209.2734 -10.2920 -10.4887 PRESSURE: 3970200 11.9378 -3.05107 -32.5163 -3.05108 -216.689 72.9001 -32.5163 72.8991 127.619 GPRESSURE: 3970200 70.0677 -7.60489 -15.8972 0.72609 -174.357 29.4386 -14.5959 132.752 129.179 PRESSAVG: 3970200 59.9431 -51.4776 28.6297 -51.4774 -72.4255 48.4957 28.6296 48.4956 14.7243 GPRESSAVG: 3970200 60.9986 -52.7692 31.3028 -50.5095 -71.8778 49.1375 28.6452 47.6055 13.3651 TIMING: 3970200 CPU: 11803.6, 0.00295225/step Wall: 11803.6, 0.00295225/step, 0.844506 hours remaining, 207.312500 MB of memory in use. ENERGY: 3970200 744.4579 2163.4594 1893.4587 106.7684 -206492.6477 17829.9972 0.0000 0.0000 34420.1389 -149334.3671 300.5996 -183754.5061 -149239.1360 299.2629 -25.7108 8.2967 556789.1642 0.7473 0.8287 PRESSURE: 3970400 -108.014 -49.6084 -202.582 -49.6072 -52.2844 150.071 -202.583 150.069 248.673 GPRESSURE: 3970400 -89.2902 -5.14813 -233.101 -47.4591 -7.41633 93.6668 -201.684 140.699 289.64 PRESSAVG: 3970400 16.2559 -9.19456 16.4817 -9.19459 -85.9976 15.7115 16.4816 15.7115 45.7457 GPRESSAVG: 3970400 15.4265 -9.40046 16.1262 -7.00799 -85.033 14.8392 17.0098 15.1592 45.587 TIMING: 3970400 CPU: 11804.2, 0.00293552/step Wall: 11804.2, 0.00293552/step, 0.839558 hours remaining, 207.312500 MB of memory in use. ENERGY: 3970400 749.9737 2112.3002 1955.1794 129.1180 -206519.6009 17962.0098 0.0000 0.0000 34117.3501 -149493.6698 297.9553 -183611.0199 -149395.8735 298.9663 29.4583 64.3113 556460.9705 -7.9987 -8.0065 PRESSURE: 3970600 330.973 -178.207 -188.367 -178.209 182.957 35.5803 -188.368 35.5805 -62.2901 GPRESSURE: 3970600 353.188 -156.781 -94.8017 -190.984 189.957 17.0274 -207.592 77.5694 3.93098 PRESSAVG: 3970600 38.7772 -10.209 79.1994 -10.2091 -49.7417 16.5678 79.1995 16.5678 -8.76737 GPRESSAVG: 3970600 40.2295 -9.91549 79.0334 -11.4967 -51.5346 17.1368 79.1791 18.4449 -8.08326 TIMING: 3970600 CPU: 11804.8, 0.00298751/step Wall: 11804.8, 0.00298751/step, 0.854262 hours remaining, 207.312500 MB of memory in use. ENERGY: 3970600 722.1998 2105.3030 1923.9238 115.3135 -206469.3117 18060.7445 0.0000 0.0000 34193.1931 -149348.6341 298.6177 -183541.8272 -149255.3807 298.9398 150.5468 182.3584 558340.7588 -6.5773 -6.4628 PRESSURE: 3970800 -290.391 18.8589 -78.0913 18.857 -150.744 60.2733 -78.0915 60.2746 -107.715 GPRESSURE: 3970800 -311.622 -45.6758 -168.193 118.621 -106.09 62.3773 -79.3886 13.9559 -42.687 PRESSAVG: 3970800 -20.8163 -1.30626 18.6902 -1.30638 14.7906 8.13308 18.6902 8.13305 12.8951 GPRESSAVG: 3970800 -21.0919 -1.62163 17.9664 -1.49915 15.6592 7.53208 16.8287 7.54449 12.7896 TIMING: 3970800 CPU: 11805.4, 0.00301732/step Wall: 11805.4, 0.00301733/step, 0.86262 hours remaining, 207.312500 MB of memory in use. ENERGY: 3970800 740.6057 2092.1614 1955.7002 106.7085 -205816.4290 17568.1671 0.0000 0.0000 34132.3119 -149220.7743 298.0860 -183353.0862 -149128.5389 299.0368 -182.9500 -153.4663 558670.5192 2.2898 2.4523 PRESSURE: 3971000 163.599 32.5065 170.433 32.5062 -226.329 -175.108 170.433 -175.107 -93.4788 GPRESSURE: 3971000 176.045 -45.3119 227.775 74.3206 -147.444 -194.661 103.068 -255.821 -70.0877 PRESSAVG: 3971000 48.5387 -15.0246 -26.3925 -15.0248 -57.5792 10.954 -26.3925 10.9541 -21.6619 GPRESSAVG: 3971000 48.8094 -15.2887 -26.4346 -15.462 -57.3762 13.2087 -27.5406 8.09567 -21.8482 TIMING: 3971000 CPU: 11806, 0.00300749/step Wall: 11806, 0.00300749/step, 0.859642 hours remaining, 207.312500 MB of memory in use. ENERGY: 3971000 748.3402 2139.1001 1954.2473 119.3119 -206302.0220 17874.5892 0.0000 0.0000 34113.4764 -149352.9570 297.9215 -183466.4334 -149252.9652 298.8865 -52.0693 -13.8288 558696.8856 -10.2341 -10.1383 PRESSURE: 3971200 -104.339 11.5875 131.894 11.586 105.302 228.524 131.894 228.524 -8.51501 GPRESSURE: 3971200 -60.4197 -9.83423 54.8478 7.49296 143.576 206.118 160.004 230.74 12.1682 PRESSAVG: 3971200 -3.65146 -15.4644 -8.70059 -15.4645 -18.4243 -2.30234 -8.70069 -2.30242 -18.384 GPRESSAVG: 3971200 -5.32232 -15.7912 -8.44631 -13.9258 -17.174 -4.48963 -5.84884 -0.38208 -17.6918 TIMING: 3971200 CPU: 11806.6, 0.00297815/step Wall: 11806.6, 0.00297815/step, 0.85109 hours remaining, 207.312500 MB of memory in use. ENERGY: 3971200 762.8235 2131.4364 1919.7143 102.9179 -206483.0108 17889.0180 0.0000 0.0000 34208.5832 -149468.5175 298.7521 -183677.1007 -149379.8573 298.3484 -2.5174 31.7749 558297.3491 -13.4866 -13.3960 PRESSURE: 3971400 -149.415 -221.042 -142.439 -221.039 -21.1147 15.2745 -142.44 15.274 -339.767 GPRESSURE: 3971400 -169.836 -233.381 -147.723 -176.278 -11.4217 55.3035 -90.0278 25.0976 -228.717 PRESSAVG: 3971400 25.3146 -37.7613 50.0222 -37.7612 26.3819 47.0077 50.0221 47.0078 -20.8432 GPRESSAVG: 3971400 26.3165 -35.1262 47.757 -39.3748 25.1068 47.9632 52.0123 48.2036 -20.2658 TIMING: 3971400 CPU: 11807.2, 0.00297372/step Wall: 11807.2, 0.00297372/step, 0.849658 hours remaining, 207.312500 MB of memory in use. ENERGY: 3971400 761.3951 2075.4935 1933.6572 106.3504 -206017.7377 17587.2303 0.0000 0.0000 34081.5888 -149472.0224 297.6430 -183553.6112 -149373.9949 298.7981 -170.0991 -136.6583 558476.4978 10.2844 10.3858 PRESSURE: 3971600 -133.271 81.5083 -61.0513 81.5078 199.495 -8.47408 -61.0508 -8.47501 -28.3625 GPRESSURE: 3971600 -115.921 11.8387 -29.9458 43.4512 226.387 -20.6056 -82.353 8.34634 27.116 PRESSAVG: 3971600 -19.2915 40.2666 -10.2337 40.2665 14.6347 3.46658 -10.2336 3.46653 -0.533126 GPRESSAVG: 3971600 -19.1789 38.265 -10.8091 41.4669 15.0445 3.07722 -11.348 3.70494 -0.904105 TIMING: 3971600 CPU: 11807.8, 0.00297895/step Wall: 11807.8, 0.00297895/step, 0.850987 hours remaining, 207.312500 MB of memory in use. ENERGY: 3971600 772.9311 2091.1272 1921.3556 119.9428 -206378.1220 17940.6026 0.0000 0.0000 34203.6232 -149328.5394 298.7087 -183532.1626 -149242.9768 298.8349 12.6207 45.8604 557191.9511 -1.7300 -1.6795 PRESSURE: 3971800 -102.879 -26.1817 -234.355 -26.182 -196.603 -35.9456 -234.355 -35.9458 -107.384 GPRESSURE: 3971800 -36.9395 -63.7824 -165.601 87.3227 -134.181 109.612 -276.384 -147.237 -136.716 PRESSAVG: 3971800 -0.82894 47.2825 11.0948 47.2825 6.49668 -20.3199 11.0949 -20.3199 -4.99413 GPRESSAVG: 3971800 -0.441797 49.4843 12.1464 47.391 4.93062 -19.6257 10.3839 -21.2242 -3.16111 TIMING: 3971800 CPU: 11808.4, 0.00300149/step Wall: 11808.4, 0.0030015/step, 0.85726 hours remaining, 207.312500 MB of memory in use. ENERGY: 3971800 721.1118 2072.9251 1948.0253 120.8210 -205873.2035 17507.7486 0.0000 0.0000 34266.2442 -149236.3276 299.2556 -183502.5717 -149135.1863 299.2753 -135.6221 -102.6121 558217.9171 0.2245 0.4426 PRESSURE: 3972000 -279.984 72.9243 -164.197 72.9237 -95.9277 -151.702 -164.197 -151.702 -127.337 GPRESSURE: 3972000 -253.838 45.7173 -141.268 58.7111 -103.842 -106.151 -231.328 -153.129 -63.8637 PRESSAVG: 3972000 11.2925 54.7818 -41.4463 54.7818 -59.3133 -7.69286 -41.4463 -7.69287 47.7571 GPRESSAVG: 3972000 10.9203 53.6097 -42.1 54.1722 -57.3333 -9.29021 -40.4111 -8.37467 46.0311 TIMING: 3972000 CPU: 11809, 0.00293626/step Wall: 11809, 0.00293626/step, 0.838467 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3972000 699.7177 2041.0135 1914.2719 99.6366 -205836.6138 17486.5368 0.0000 0.0000 34428.0279 -149167.4094 300.6685 -183595.4373 -149065.8744 299.0944 -167.7495 -140.5146 557256.1394 -0.0879 -0.1273 PRESSURE: 3972200 -219.29 197.444 -62.2865 197.442 -279.86 -124.433 -62.2854 -124.434 -332.627 GPRESSURE: 3972200 -217.403 196.508 -28.4502 161.344 -218.277 -168.799 -93.0478 -130.684 -295.448 PRESSAVG: 3972200 -29.1275 2.45063 -25.8927 2.45058 -1.42765 9.42909 -25.8927 9.42909 40.6121 GPRESSAVG: 3972200 -29.3497 0.935565 -25.8689 4.63237 -1.75405 7.19013 -26.2125 13.9589 41.0682 TIMING: 3972200 CPU: 11809.5, 0.00291703/step Wall: 11809.5, 0.00291703/step, 0.832813 hours remaining, 207.312500 MB of memory in use. ENERGY: 3972200 769.2902 2092.5955 1937.1787 105.1802 -205921.1045 17475.4352 0.0000 0.0000 34462.9086 -149078.5162 300.9732 -183541.4248 -148983.9722 299.8059 -277.2590 -243.7091 557129.2530 3.3523 3.3215 LDB: ============= START OF LOAD BALANCING ============== 11813.1 LDB: ============== END OF LOAD BALANCING =============== 11813.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11813.1 LDB: ============= START OF LOAD BALANCING ============== 11813.4 LDB: Largest compute 4796 load 0.023364 is 19.8% of average load 0.118294 LDB: Average compute 0.001739 is 1.5% of average load 0.118294 LDB: TIME 11813.4 LOAD: AVG 0.118294 MAX 0.196266 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.676 MB LDB: TIME 11813.4 LOAD: AVG 0.118294 MAX 0.196266 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.676 MB LDB: TIME 11813.4 LOAD: AVG 0.118294 MAX 0.196266 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.676 MB LDB: ============== END OF LOAD BALANCING =============== 11813.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11813.4 PRESSURE: 3972400 -184.422 103.417 22.191 103.417 -156.656 -14.1018 22.1909 -14.101 -106.002 GPRESSURE: 3972400 -162.745 103.963 11.6781 72.4165 -118.259 29.6964 37.3997 -116.837 -74.8222 PRESSAVG: 3972400 -27.9178 52.5387 50.2811 52.5387 -22.4306 0.0421406 50.2812 0.0421932 32.4298 GPRESSAVG: 3972400 -28.9362 53.7917 50.8286 50.2461 -22.663 3.71468 52.5065 -3.98777 33.0909 TIMING: 3972400 CPU: 11810.1, 0.0029769/step Wall: 11810.1, 0.0029769/step, 0.849741 hours remaining, 206.675781 MB of memory in use. ENERGY: 3972400 746.7903 2077.6651 1948.5521 123.1088 -206040.3014 17602.0271 0.0000 0.0000 34196.6359 -149345.5222 298.6477 -183542.1580 -149251.1543 299.0996 -149.0265 -118.6086 557418.7554 -5.9729 -6.1695 PRESSURE: 3972600 -21.2092 -86.4507 -88.4056 -86.4496 -131.829 85.7331 -88.4045 85.7335 297.135 GPRESSURE: 3972600 9.10742 -54.1789 -138.211 -11.9447 -44.6346 79.4617 -80.1021 134.471 265.389 PRESSAVG: 3972600 -30.4843 34.3923 9.77121 34.3923 10.1645 -2.2939 9.77122 -2.29398 36.2544 GPRESSAVG: 3972600 -29.8505 36.6619 11.9711 34.8709 10.4107 -2.9881 8.33647 -0.0766164 34.8594 TIMING: 3972600 CPU: 11810.7, 0.00292357/step Wall: 11810.7, 0.00292357/step, 0.834355 hours remaining, 206.675781 MB of memory in use. ENERGY: 3972600 723.3127 2117.2895 1943.3380 119.7864 -206662.7906 17992.6388 0.0000 0.0000 34361.2651 -149405.1601 300.0855 -183766.4252 -149305.6927 299.0682 48.0324 76.6207 557347.6326 5.3115 5.1399 PRESSURE: 3972800 -53.1884 -264.787 -44.0182 -264.787 133.532 128.77 -44.017 128.771 238.418 GPRESSURE: 3972800 8.37022 -318.091 11.9009 -173.941 210.756 119.906 -50.8941 117.089 200.786 PRESSAVG: 3972800 -65.7077 -31.7052 6.56823 -31.7051 103.093 -52.8681 6.56823 -52.8681 -49.3576 GPRESSAVG: 3972800 -65.0135 -34.1924 3.50125 -30.6394 102.347 -52.5966 6.5267 -54.2604 -48.8252 TIMING: 3972800 CPU: 11811.3, 0.00293129/step Wall: 11811.3, 0.00293129/step, 0.836393 hours remaining, 206.675781 MB of memory in use. ENERGY: 3972800 728.0140 2077.6669 1924.6324 93.0304 -206623.1327 18151.9297 0.0000 0.0000 34201.0173 -149446.8420 298.6860 -183647.8592 -149343.7280 297.9943 106.2539 139.9705 558697.0143 -3.9906 -3.8307 PRESSURE: 3973000 -238.14 -51.841 -116.84 -51.8404 -343.026 145.111 -116.841 145.109 -301.969 GPRESSURE: 3973000 -212.461 3.17299 -166.311 -52.0817 -338.656 32.6298 -123.544 138.417 -227.294 PRESSAVG: 3973000 -26.0069 -1.95319 -28.1052 -1.95322 39.7026 68.9106 -28.1052 68.9106 -28.718 GPRESSAVG: 3973000 -27.1567 -1.29516 -27.5783 -4.04391 41.031 67.8153 -29.0302 69.3591 -29.186 TIMING: 3973000 CPU: 11811.9, 0.00294028/step Wall: 11811.9, 0.00294028/step, 0.838796 hours remaining, 206.675781 MB of memory in use. ENERGY: 3973000 765.1437 2019.0802 1931.3704 119.9733 -206193.3219 17613.2783 0.0000 0.0000 34406.5548 -149337.9212 300.4810 -183744.4760 -149247.3571 298.8276 -294.3782 -259.4701 559969.4912 -5.0074 -5.1039 PRESSURE: 3973200 -66.6597 -331.584 157.364 -331.583 -158.879 31.8746 157.365 31.8741 -59.6269 GPRESSURE: 3973200 -81.5317 -280.637 113.507 -239.963 -89.1338 -20.6936 173.292 32.1528 -2.47431 PRESSAVG: 3973200 -1.29494 -6.34708 -21.0176 -6.34709 3.34938 76.3145 -21.0176 76.3145 -9.11083 GPRESSAVG: 3973200 -0.119723 -5.88173 -19.4114 -5.84596 2.03097 77.7493 -19.5474 76.3037 -8.54785 TIMING: 3973200 CPU: 11812.5, 0.0029679/step Wall: 11812.5, 0.0029679/step, 0.846512 hours remaining, 206.675781 MB of memory in use. ENERGY: 3973200 769.5232 2059.4224 1917.6363 123.4736 -206474.6027 17949.0828 0.0000 0.0000 34389.9020 -149265.5623 300.3356 -183655.4643 -149169.9756 300.0984 -95.0552 -57.7133 557367.3656 -2.3521 -2.2122 PRESSURE: 3973400 246.528 108.138 -91.7386 108.138 -189.159 44.6901 -91.7391 44.6897 69.5329 GPRESSURE: 3973400 262.14 41.5895 -3.77042 150.221 -134.493 76.225 -84.2761 67.9247 91.9838 PRESSAVG: 3973400 -17.3314 -30.6268 12.294 -30.6268 18.6776 -27.638 12.294 -27.6381 65.5157 GPRESSAVG: 3973400 -18.2569 -30.4383 13.216 -28.8934 20.139 -28.0694 9.77187 -28.2701 64.7662 TIMING: 3973400 CPU: 11813.1, 0.00297305/step Wall: 11813.1, 0.00297305/step, 0.847815 hours remaining, 206.675781 MB of memory in use. ENERGY: 3973400 707.3417 2054.8366 1957.4637 122.1573 -206789.0153 17982.0620 0.0000 0.0000 34513.3373 -149451.8167 301.4136 -183965.1540 -149351.9127 299.7865 42.3008 73.2103 557185.7445 22.2873 22.2161 PRESSURE: 3973600 -62.6629 58.6186 -34.6675 58.6177 293.308 -51.0612 -34.668 -51.0585 468.29 GPRESSURE: 3973600 10.7678 -49.728 -13.3075 42.5264 328.638 -0.731022 6.30464 7.52311 444.029 PRESSAVG: 3973600 7.03768 -12.0692 62.7599 -12.0692 -19.0596 1.79425 62.7598 1.79424 13.7813 GPRESSAVG: 3973600 7.18212 -11.56 59.7197 -13.2747 -18.729 2.38051 65.2153 3.73512 13.2889 TIMING: 3973600 CPU: 11813.7, 0.00299057/step Wall: 11813.7, 0.00299057/step, 0.852644 hours remaining, 206.675781 MB of memory in use. ENERGY: 3973600 718.9892 2056.8813 1947.5073 118.0838 -206560.7829 18059.8858 0.0000 0.0000 34251.6837 -149407.7519 299.1285 -183659.4356 -149313.9074 298.7433 232.9783 261.1447 555978.3605 0.5864 0.5807 PRESSURE: 3973800 196.27 90.5654 -71.2479 90.5656 248.879 -55.8779 -71.2471 -55.8787 270.12 GPRESSURE: 3973800 224.136 158.648 -12.3666 141.231 227.306 -69.6518 -153.261 -75.7958 367.813 PRESSAVG: 3973800 -30.3233 -27.4773 -21.6843 -27.4773 -15.0426 -24.146 -21.6843 -24.146 27.2703 GPRESSAVG: 3973800 -30.1849 -28.1837 -20.4721 -26.2945 -15.2706 -24.8356 -20.131 -25.0169 28.046 TIMING: 3973800 CPU: 11814.3, 0.00301794/step Wall: 11814.3, 0.00301794/step, 0.860279 hours remaining, 206.675781 MB of memory in use. ENERGY: 3973800 671.0437 2080.4711 1916.8589 137.9242 -206354.8994 18051.3337 0.0000 0.0000 34167.9567 -149329.3113 298.3973 -183497.2679 -149239.5927 298.5280 238.4230 273.0851 556906.7690 -6.0319 -5.8032 PRESSURE: 3974000 25.9014 116.063 5.45942 116.062 -68.0609 -213.592 5.46037 -213.594 180.149 GPRESSURE: 3974000 43.3235 118.333 70.4798 140.781 -4.84407 -181.658 15.7085 -227.033 207.961 PRESSAVG: 3974000 -29.467 26.7911 -36.6208 26.7912 4.4707 15.8149 -36.6207 15.8147 1.03556 GPRESSAVG: 3974000 -27.6951 28.4416 -35.8933 25.0069 3.41589 18.0141 -39.0421 15.0897 0.33882 TIMING: 3974000 CPU: 11814.9, 0.00296181/step Wall: 11814.9, 0.00296181/step, 0.844117 hours remaining, 206.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3974000 718.3734 2116.8062 1937.8048 107.6489 -206289.6452 17981.1329 0.0000 0.0000 34136.7415 -149291.1375 298.1247 -183427.8790 -149191.2675 298.7262 45.9965 82.1467 558899.9757 -7.9869 -7.9801 PRESSURE: 3974200 4.69404 -9.21646 103.241 -9.21539 86.051 24.2358 103.24 24.2359 261.106 GPRESSURE: 3974200 48.4806 70.9729 184.336 -9.92501 88.4345 91.0013 29.1676 -34.24 323.397 PRESSAVG: 3974200 -45.9327 39.309 -43.4932 39.309 23.2198 -1.1228 -43.4931 -1.12274 33.485 GPRESSAVG: 3974200 -46.575 38.3162 -43.2175 40.1508 24.7248 -2.15966 -44.3029 -1.34102 32.5941 TIMING: 3974200 CPU: 11815.5, 0.00293402/step Wall: 11815.5, 0.00293402/step, 0.836033 hours remaining, 206.675781 MB of memory in use. ENERGY: 3974200 751.2374 2061.5148 1931.9610 106.8030 -206707.3695 18204.1304 0.0000 0.0000 34343.0502 -149308.6727 299.9264 -183651.7229 -149206.3301 298.7202 117.2835 153.4375 558296.0855 3.5907 3.5813 PRESSURE: 3974400 177.768 81.1261 -40.9175 81.1265 -157.795 56.111 -40.9189 56.1112 -92.1465 GPRESSURE: 3974400 208.147 67.2952 -81.4881 68.091 -157.654 32.7264 -12.9415 85.668 -29.8543 PRESSAVG: 3974400 2.59172 -29.7342 27.5152 -29.7342 -28.5661 54.6022 27.5152 54.6022 -35.395 GPRESSAVG: 3974400 1.56915 -30.7656 26.2971 -29.2076 -29.5604 53.1417 27.4605 55.6666 -32.8013 TIMING: 3974400 CPU: 11816.1, 0.00293038/step Wall: 11816.1, 0.00293038/step, 0.834834 hours remaining, 206.675781 MB of memory in use. ENERGY: 3974400 725.2894 2021.9112 1952.2247 112.2080 -206157.8128 17822.9181 0.0000 0.0000 34248.9077 -149274.3538 299.1042 -183523.2614 -149179.8576 299.0863 -24.0577 6.8797 557935.8410 -20.4564 -20.2642 PRESSURE: 3974600 -54.705 48.5007 -76.2597 48.5011 157.215 21.6592 -76.2602 21.6578 65.4022 GPRESSURE: 3974600 26.7005 40.23 -110.616 105.397 113.626 -49.6925 -27.3113 102.847 119.153 PRESSAVG: 3974600 -23.9041 -12.2401 15.1929 -12.24 31.4535 36.5036 15.193 36.5037 4.00367 GPRESSAVG: 3974600 -22.2052 -12.6524 16.256 -10.6005 31.0146 36.3548 15.082 35.8034 2.86109 TIMING: 3974600 CPU: 11816.6, 0.00292844/step Wall: 11816.6, 0.00292844/step, 0.834117 hours remaining, 206.675781 MB of memory in use. ENERGY: 3974600 766.8899 2052.5576 1929.6575 101.3903 -206158.1924 17813.9738 0.0000 0.0000 34287.2609 -149206.4623 299.4392 -183493.7232 -149114.6857 298.9561 55.9708 86.4929 555840.3614 3.8510 3.8901 PRESSURE: 3974800 256.593 -165.052 -23.5677 -165.053 -1.49038 -89.8723 -23.567 -89.8716 -148.29 GPRESSURE: 3974800 234.08 -114.777 -34.1115 -173.243 59.4205 20.3197 -99.8431 -151.558 -89.8283 PRESSAVG: 3974800 -8.81725 -27.7052 -47.1996 -27.7053 64.0787 0.710826 -47.1996 0.710809 -51.7791 GPRESSAVG: 3974800 -8.99913 -25.0012 -44.9168 -31.7407 64.656 0.0196635 -46.9259 0.247692 -52.2984 TIMING: 3974800 CPU: 11817.2, 0.00293607/step Wall: 11817.2, 0.00293607/step, 0.836128 hours remaining, 206.675781 MB of memory in use. ENERGY: 3974800 717.1823 2070.0666 1952.0530 124.9749 -206107.3605 17715.3543 0.0000 0.0000 34244.9966 -149282.7329 299.0701 -183527.7295 -149183.9132 299.4268 35.6039 67.8908 555607.3555 1.1608 1.1195 PRESSURE: 3975000 -114.759 86.7663 39.9104 86.7657 -86.0882 -9.31762 39.9114 -9.31723 -287.121 GPRESSURE: 3975000 -44.7742 12.695 0.603102 82.8845 -129.421 -129.225 42.1176 30.9909 -222.645 PRESSAVG: 3975000 19.7256 -40.2626 -24.0823 -40.2625 -34.1859 -69.2397 -24.0823 -69.2396 20.7324 GPRESSAVG: 3975000 19.4184 -42.5769 -26.002 -37.3443 -34.5458 -70.4258 -22.9428 -67.2197 21.1771 TIMING: 3975000 CPU: 11817.8, 0.00294201/step Wall: 11817.8, 0.00294201/step, 0.837657 hours remaining, 206.675781 MB of memory in use. ENERGY: 3975000 736.5835 2097.2790 1936.2369 105.5450 -205679.5265 17434.7815 0.0000 0.0000 34244.3571 -149124.7435 299.0645 -183369.1006 -149031.8508 299.4825 -162.6560 -132.2801 556892.2728 2.0907 2.0166 PRESSURE: 3975200 -208.759 57.67 183.496 57.671 8.50176 -127.653 183.496 -127.652 -62.8119 GPRESSURE: 3975200 -194.722 66.4621 215.052 9.3466 21.5208 -127.998 79.5501 -157.849 3.97792 PRESSAVG: 3975200 -2.28038 27.5475 19.7206 27.5476 31.0409 -6.45575 19.7206 -6.45568 -51.3184 GPRESSAVG: 3975200 -2.11558 28.6713 20.4497 26.5268 31.2181 -4.91584 19.5542 -5.68181 -51.6001 TIMING: 3975200 CPU: 11818.4, 0.00294374/step Wall: 11818.4, 0.00294374/step, 0.837984 hours remaining, 206.675781 MB of memory in use. ENERGY: 3975200 743.5259 2121.0570 1924.1702 114.9535 -206101.0616 17712.2460 0.0000 0.0000 34425.4370 -149059.6719 300.6459 -183485.1089 -148965.2448 299.3550 -87.6898 -56.4077 556247.6178 -7.5193 -7.4992 PRESSURE: 3975400 -73.9736 -118.241 140.861 -118.243 -96.2465 0.0143468 140.861 0.014856 -108.761 GPRESSURE: 3975400 -56.2363 -204.63 184.654 -59.2369 -70.498 -53.9143 124.839 31.6963 -56.4931 PRESSAVG: 3975400 13.8987 -32.3334 64.074 -32.3333 85.6985 -1.60443 64.074 -1.60452 -43.7431 GPRESSAVG: 3975400 14.6192 -31.7116 63.9324 -32.3647 85.5396 0.177164 62.892 -5.62475 -44.098 TIMING: 3975400 CPU: 11819, 0.00295365/step Wall: 11819, 0.00295365/step, 0.840641 hours remaining, 206.675781 MB of memory in use. ENERGY: 3975400 778.3092 2080.5006 1933.2273 109.4441 -205728.5634 17550.1859 0.0000 0.0000 34290.4054 -148986.4908 299.4666 -183276.8962 -148891.5302 299.9555 -92.9937 -61.0758 558142.3291 18.6180 18.6869 PRESSURE: 3975600 148.268 -55.4146 50.9886 -55.415 -236.888 -25.199 50.9886 -25.1982 137.232 GPRESSURE: 3975600 211.873 -51.2322 89.0384 -45.2158 -145.257 21.5489 43.5883 -87.995 84.8008 PRESSAVG: 3975600 54.4489 24.2172 13.997 24.2171 -48.4273 9.54277 13.997 9.54273 -52.9437 GPRESSAVG: 3975600 54.167 22.9646 14.5853 25.5702 -49.3178 6.97758 14.075 11.7149 -52.2196 TIMING: 3975600 CPU: 11819.6, 0.00295216/step Wall: 11819.6, 0.00295216/step, 0.840055 hours remaining, 206.675781 MB of memory in use. ENERGY: 3975600 770.7976 2054.3540 1942.5431 110.6939 -206023.4921 17760.9627 0.0000 0.0000 34330.2045 -149053.9364 299.8142 -183384.1409 -148955.6170 300.1369 16.2040 50.4724 557298.5402 -15.6407 -15.7901 PRESSURE: 3975800 95.4685 10.9899 -94.0615 10.9905 -37.1576 -18.3774 -94.0608 -18.377 141.369 GPRESSURE: 3975800 99.4168 -30.2334 -39.7154 87.6563 12.8665 12.4403 -30.7818 10.6988 170.623 PRESSAVG: 3975800 59.3517 -5.72693 -4.18909 -5.72698 -34.4821 -25.9428 -4.18913 -25.9429 -17.1397 GPRESSAVG: 3975800 58.3302 -4.54965 -5.10359 -7.14956 -33.3937 -25.4531 -5.23234 -26.3381 -17.2294 TIMING: 3975800 CPU: 11820.2, 0.00295049/step Wall: 11820.2, 0.00295049/step, 0.839415 hours remaining, 206.675781 MB of memory in use. ENERGY: 3975800 749.4208 2117.0029 1958.9922 107.9623 -206154.4410 17814.2858 0.0000 0.0000 34525.9031 -148880.8738 301.5233 -183406.7769 -148781.3159 299.9244 66.5598 94.3022 556985.8582 2.5767 2.5690 PRESSURE: 3976000 -172.828 100.707 171.652 100.708 117.502 -52.7422 171.652 -52.7412 70.481 GPRESSURE: 3976000 -159.183 97.5605 267.444 125.866 163.003 34.1083 134.113 -126.661 107.724 PRESSAVG: 3976000 -2.41189 -8.81319 84.2026 -8.81318 -32.5077 10.5814 84.2025 10.5815 45.8321 GPRESSAVG: 3976000 -2.31122 -8.71843 82.0035 -9.19305 -32.6172 12.2415 87.7633 10.1577 45.6853 TIMING: 3976000 CPU: 11820.8, 0.00294349/step Wall: 11820.8, 0.00294349/step, 0.837261 hours remaining, 206.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3976000 756.6515 2154.4134 1951.8902 113.0391 -206034.0993 17783.6750 0.0000 0.0000 34456.2564 -148818.1738 300.9151 -183274.4302 -148724.0327 300.1908 5.0515 37.1814 556243.2707 3.6375 3.5856 PRESSURE: 3976200 155.533 3.01612 -306.455 3.01532 28.4185 -67.0869 -306.455 -67.088 74.0629 GPRESSURE: 3976200 207.286 -44.7347 -293.098 62.0531 34.7135 -44.3668 -261.461 -78.1892 117.715 PRESSAVG: 3976200 -15.9474 -2.97816 -18.959 -2.9783 65.3149 11.9796 -18.9589 11.9796 -12.4248 GPRESSAVG: 3976200 -15.8304 -5.15699 -16.9595 -1.42723 65.4243 11.7002 -20.8811 9.48661 -12.9389 TIMING: 3976200 CPU: 11821.3, 0.00292502/step Wall: 11821.3, 0.00292502/step, 0.831842 hours remaining, 206.675781 MB of memory in use. ENERGY: 3976200 720.0981 2097.7224 1921.1223 128.3472 -206002.8330 17981.8970 0.0000 0.0000 34389.5743 -148764.0717 300.3327 -183153.6460 -148657.8589 300.2401 86.0049 119.9049 558614.2859 12.3143 12.2184 LDB: ============= START OF LOAD BALANCING ============== 11824.9 LDB: ============== END OF LOAD BALANCING =============== 11824.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11824.9 LDB: ============= START OF LOAD BALANCING ============== 11825.2 LDB: Largest compute 4796 load 0.024373 is 20.6% of average load 0.118234 LDB: Average compute 0.001731 is 1.5% of average load 0.118234 LDB: TIME 11825.2 LOAD: AVG 0.118234 MAX 0.195471 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.121 MB LDB: TIME 11825.2 LOAD: AVG 0.118234 MAX 0.195471 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.121 MB LDB: TIME 11825.2 LOAD: AVG 0.118234 MAX 0.195471 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.121 MB LDB: ============== END OF LOAD BALANCING =============== 11825.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11825.2 PRESSURE: 3976400 158.088 286.091 39.0371 286.091 -74.7485 -23.643 39.0358 -23.644 57.2253 GPRESSURE: 3976400 209.427 264.725 62.1782 332.107 -62.437 -5.67832 39.4622 -41.7878 74.6919 PRESSAVG: 3976400 16.1684 49.5558 -1.15284 49.5557 -25.4007 -27.8731 -1.15284 -27.873 11.3279 GPRESSAVG: 3976400 15.6925 50.4227 -0.26936 48.1366 -25.077 -27.0205 -1.63039 -27.8 11.7002 TIMING: 3976400 CPU: 11821.9, 0.00297742/step Wall: 11821.9, 0.00297742/step, 0.84658 hours remaining, 206.609375 MB of memory in use. ENERGY: 3976400 769.9985 2142.2499 1908.2266 110.2822 -205988.3890 17823.5995 0.0000 0.0000 34480.0806 -148753.9516 301.1231 -183234.0322 -148649.5633 300.3086 46.8550 73.8941 558231.0182 0.6985 0.7719 PRESSURE: 3976600 -52.9843 -138.019 81.8162 -138.02 -195.751 -301.902 81.8152 -301.901 -185.116 GPRESSURE: 3976600 11.5948 -103.859 42.0828 -130.335 -202.133 -354.434 111.551 -325.874 -154.361 PRESSAVG: 3976600 6.101 -18.2658 43.9481 -18.2658 -8.38016 -10.4451 43.9481 -10.4451 18.4508 GPRESSAVG: 3976600 7.28932 -18.8635 42.883 -16.6782 -9.49313 -12.2987 42.9221 -7.76227 19.0443 TIMING: 3976600 CPU: 11822.5, 0.00294066/step Wall: 11822.5, 0.00294066/step, 0.835965 hours remaining, 206.808594 MB of memory in use. ENERGY: 3976600 723.6933 2125.6152 1933.1360 117.1291 -205497.3938 17503.1327 0.0000 0.0000 34166.2472 -148928.4403 298.3823 -183094.6875 -148828.7548 300.0649 -144.6170 -114.9663 557743.8820 5.3906 5.6135 PRESSURE: 3976800 -163.6 -149.393 -74.2519 -149.393 -8.94411 117.038 -74.252 117.036 82.2406 GPRESSURE: 3976800 -120.017 -175.407 -76.2377 -63.1955 15.8452 146.496 -28.6529 109.597 111.985 PRESSAVG: 3976800 -18.8897 -44.7268 35.6164 -44.7269 23.4739 4.05284 35.6165 4.05287 -6.22251 GPRESSAVG: 3976800 -19.9085 -44.7586 36.4219 -45.1335 24.2596 5.05889 36.9348 2.79427 -5.48368 TIMING: 3976800 CPU: 11823.1, 0.00292364/step Wall: 11823.1, 0.00292364/step, 0.830964 hours remaining, 206.808594 MB of memory in use. ENERGY: 3976800 726.2860 2063.5628 1942.6506 112.7233 -206239.2618 17816.9804 0.0000 0.0000 34443.6482 -149133.4105 300.8049 -183577.0587 -149027.1078 300.2949 -30.1013 2.6042 557381.9903 -0.5461 -0.3775 PRESSURE: 3977000 -267.487 -49.7742 31.5242 -49.7746 -104.661 -34.6326 31.5242 -34.6332 -111.397 GPRESSURE: 3977000 -226.432 -114.088 -43.1228 48.2339 -59.4266 -89.5253 78.1529 49.4685 -97.7764 PRESSAVG: 3977000 13.5038 -13.1434 35.5396 -13.1434 2.79922 -4.88723 35.5395 -4.88705 -0.814374 GPRESSAVG: 3977000 13.622 -12.972 37.8422 -13.2597 2.84919 -5.98863 35.8181 -3.49527 -1.36365 TIMING: 3977000 CPU: 11823.7, 0.00293831/step Wall: 11823.7, 0.00293831/step, 0.834969 hours remaining, 206.808594 MB of memory in use. ENERGY: 3977000 743.5823 2097.7733 1937.5655 116.1280 -205826.9893 17460.2866 0.0000 0.0000 34222.7875 -149248.8659 298.8761 -183471.6535 -149152.8757 299.9485 -161.1818 -127.8785 556765.5080 5.1629 5.0358 PRESSURE: 3977200 186.122 -3.44697 -72.1957 -3.44605 -119.674 -16.7472 -72.1948 -16.7488 -90.581 GPRESSURE: 3977200 208.803 -70.1799 -92.4534 68.328 -100.342 -119.171 -9.78675 79.2365 -30.4082 PRESSAVG: 3977200 -14.7551 12.0924 27.0238 12.0923 20.9787 3.26231 27.0238 3.2624 -56.1959 GPRESSAVG: 3977200 -14.0198 11.019 23.538 13.6776 20.6381 4.33521 27.8858 1.81385 -56.1772 TIMING: 3977200 CPU: 11824.3, 0.00294062/step Wall: 11824.3, 0.00294062/step, 0.835462 hours remaining, 206.808594 MB of memory in use. ENERGY: 3977200 768.5523 2067.2594 1958.1055 117.4656 -206398.1067 17850.0212 0.0000 0.0000 34240.7944 -149395.9084 299.0334 -183636.7027 -149301.8639 299.1594 -8.0443 26.0175 557176.6676 -16.6574 -16.5196 PRESSURE: 3977400 59.8241 187.946 -70.8959 187.946 52.4157 -16.3531 -70.896 -16.3543 -141.523 GPRESSURE: 3977400 39.9359 50.1657 -63.7293 205.998 85.9042 -34.6791 -94.1409 -87.9767 -62.6683 PRESSAVG: 3977400 79.9027 11.4206 -37.2191 11.4205 -30.3972 -11.5694 -37.2191 -11.5694 -28.6189 GPRESSAVG: 3977400 78.7127 12.2946 -36.4968 11.4365 -30.2918 -12.1957 -38.5878 -12.0167 -27.4747 TIMING: 3977400 CPU: 11824.9, 0.00296079/step Wall: 11824.9, 0.00296079/step, 0.841028 hours remaining, 206.808594 MB of memory in use. ENERGY: 3977400 747.2095 2041.7051 1933.0236 118.8889 -205999.1157 17693.5790 0.0000 0.0000 34134.0744 -149330.6352 298.1014 -183464.7096 -149227.6000 299.0806 -9.7611 21.0573 557863.5541 6.9622 6.9821 PRESSURE: 3977600 223.482 -7.16964 -20.3842 -7.16851 -92.7446 -41.5915 -20.3839 -41.5921 -31.4097 GPRESSURE: 3977600 231.015 -5.15829 -73.4535 68.0963 -34.9839 -8.21848 5.21626 -65.0457 -10.4184 PRESSAVG: 3977600 38.8815 29.1438 -18.7039 29.1437 -16.2927 -15.8954 -18.704 -15.8952 -49.0733 GPRESSAVG: 3977600 39.0793 29.8458 -18.0814 26.3196 -16.4478 -17.1569 -18.8941 -16.1296 -49.7658 TIMING: 3977600 CPU: 11825.5, 0.00296152/step Wall: 11825.5, 0.00296152/step, 0.841071 hours remaining, 206.808594 MB of memory in use. ENERGY: 3977600 751.5074 2086.7624 1939.6132 108.8711 -206401.4741 17764.1743 0.0000 0.0000 34361.1197 -149389.4260 300.0842 -183750.5458 -149294.4930 298.2921 33.1092 61.8708 556332.9141 -8.8282 -9.0448 PRESSURE: 3977800 9.24537 65.9844 -21.818 65.9848 -156.671 -23.8047 -21.8165 -23.8039 -23.3513 GPRESSURE: 3977800 0.0646404 0.676029 18.0109 83.2559 -117.904 10.2344 48.1518 -15.8156 41.9438 PRESSAVG: 3977800 48.1483 21.8237 18.8452 21.8237 -11.4047 9.78599 18.8452 9.78609 1.84511 GPRESSAVG: 3977800 48.6328 20.0771 19.3459 25.8143 -10.8331 11.7656 19.0394 9.25188 0.980196 TIMING: 3977800 CPU: 11826.1, 0.00294985/step Wall: 11826.1, 0.00294985/step, 0.837593 hours remaining, 206.808594 MB of memory in use. ENERGY: 3977800 770.8459 2073.6276 1939.7050 111.5084 -206389.9459 17788.6142 0.0000 0.0000 34302.1524 -149403.4924 299.5692 -183705.6448 -149309.3133 299.1239 -56.9256 -25.2986 557563.1037 12.8629 12.9266 PRESSURE: 3978000 177.576 -89.4549 158.535 -89.4538 -9.99987 45.1028 158.537 45.1018 200.276 GPRESSURE: 3978000 190.927 -98.1328 59.0284 -131.062 59.7694 32.5715 176.917 27.3041 215.422 PRESSAVG: 3978000 80.0623 52.9869 28.0628 52.9869 -57.2117 -25.1623 28.0628 -25.1623 -37.5438 GPRESSAVG: 3978000 79.6661 53.6472 27.3058 49.7762 -57.0395 -26.6309 27.6923 -23.9743 -37.3735 TIMING: 3978000 CPU: 11826.7, 0.0029362/step Wall: 11826.7, 0.0029362/step, 0.833555 hours remaining, 206.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3978000 777.2802 2023.3757 1930.0778 127.1111 -206395.6957 18066.4755 0.0000 0.0000 34052.7684 -149418.6069 297.3913 -183471.3753 -149319.0487 298.1008 122.6175 155.3731 557901.6963 -4.8977 -4.9156 PRESSURE: 3978200 -130.837 -53.3611 4.2066 -53.3617 -276.466 90.4357 4.20718 90.4356 -138.825 GPRESSURE: 3978200 -70.2304 -54.1897 31.0771 5.64843 -260.671 83.398 15.5623 -44.5819 -124.048 PRESSAVG: 3978200 63.6355 13.6819 8.81989 13.6819 -82.0733 5.65482 8.81992 5.65473 10.4705 GPRESSAVG: 3978200 62.9834 13.6859 9.68947 15.6101 -82.2708 7.42597 9.40829 1.37835 11.1493 TIMING: 3978200 CPU: 11827.2, 0.00296624/step Wall: 11827.2, 0.00296624/step, 0.841918 hours remaining, 206.808594 MB of memory in use. ENERGY: 3978200 798.1948 2161.7445 1903.3291 119.8203 -206069.3425 17600.2195 0.0000 0.0000 34056.6379 -149429.3965 297.4251 -183486.0344 -149341.2915 298.3076 -182.0429 -151.6495 558005.8217 -2.6557 -2.7127 PRESSURE: 3978400 -202.914 101.053 244.67 101.055 -107.2 124.742 244.67 124.742 -101.695 GPRESSURE: 3978400 -153.614 129.158 219.194 87.5395 -131.041 185.397 333.48 140.306 -28.2039 PRESSAVG: 3978400 -30.2208 39.1545 15.0294 39.1545 80.24 1.07568 15.0293 1.07568 -48.6795 GPRESSAVG: 3978400 -29.422 40.1285 11.9263 37.6041 78.7267 0.0411608 15.9693 4.30248 -48.0062 TIMING: 3978400 CPU: 11827.8, 0.00298284/step Wall: 11827.8, 0.00298284/step, 0.846463 hours remaining, 206.980469 MB of memory in use. ENERGY: 3978400 755.6747 2095.4494 1904.8383 115.5617 -206014.6220 17700.6936 0.0000 0.0000 34019.5582 -149422.8461 297.1013 -183442.4043 -149328.7887 298.3999 -137.2695 -104.2863 558215.7851 0.4466 0.4328 PRESSURE: 3978600 324.97 160.395 65.8416 160.394 157.505 -3.49557 65.8427 -3.49705 11.9303 GPRESSURE: 3978600 367.916 101.847 86.7829 151.604 182.974 2.95428 58.4312 80.5513 41.527 PRESSAVG: 3978600 21.0781 -11.3828 24.9307 -11.3828 30.5965 27.7244 24.9307 27.7244 -15.068 GPRESSAVG: 3978600 22.2632 -11.1919 25.3262 -10.8515 31.7743 28.8658 23.7047 28.7712 -17.262 TIMING: 3978600 CPU: 11828.4, 0.0029562/step Wall: 11828.4, 0.0029562/step, 0.838739 hours remaining, 206.980469 MB of memory in use. ENERGY: 3978600 755.0997 2111.9781 1948.0125 104.7924 -206566.0838 18002.9826 0.0000 0.0000 34188.8948 -149454.3237 298.5801 -183643.2184 -149353.8896 297.8287 164.8019 197.4725 557982.3370 12.2022 12.2585 PRESSURE: 3978800 83.33 -45.2962 96.8785 -45.2962 26.8577 3.57893 96.8779 3.58023 -166.179 GPRESSURE: 3978800 131 -68.0723 85.3272 -22.0961 -38.596 25.4782 104.234 5.26598 -57.2838 PRESSAVG: 3978800 59.2604 -10.3955 86.7511 -10.3954 -51.2534 27.9817 86.7512 27.9817 -29.3758 GPRESSAVG: 3978800 59.0665 -9.22828 87.5073 -12.5553 -52.4063 27.5678 87.4701 26.6619 -27.347 TIMING: 3978800 CPU: 11829, 0.00300869/step Wall: 11829, 0.00300869/step, 0.853466 hours remaining, 206.980469 MB of memory in use. ENERGY: 3978800 733.9181 2117.1122 1917.5486 112.1972 -206254.9745 17779.5225 0.0000 0.0000 34122.2126 -149472.4633 297.9978 -183594.6759 -149371.1332 298.3028 -18.6637 11.7067 559321.7556 -7.1229 -6.8956 PRESSURE: 3979000 -92.9199 147.215 -21.2809 147.216 -81.2426 92.6497 -21.2808 92.6485 -46.2862 GPRESSURE: 3979000 -75.7578 110.372 -27.6339 169.046 -59.7891 171.73 -58.0098 41.5883 8.12511 PRESSAVG: 3979000 34.687 -45.5288 -14.341 -45.5288 -35.0763 34.4433 -14.3409 34.4434 31.2347 GPRESSAVG: 3979000 34.8484 -46.1209 -13.2831 -46.4265 -35.2188 34.0169 -14.9259 35.908 31.7236 TIMING: 3979000 CPU: 11829.6, 0.00297955/step Wall: 11829.6, 0.00297955/step, 0.845034 hours remaining, 206.980469 MB of memory in use. ENERGY: 3979000 731.4721 2050.0412 1953.5819 93.9787 -206060.0286 17693.3514 0.0000 0.0000 33863.6435 -149673.9599 295.7396 -183537.6033 -149577.7332 297.8285 -73.4829 -42.4739 557504.0412 10.2818 10.4511 PRESSURE: 3979200 -176.692 36.9787 -93.2342 36.9791 -113.053 184.165 -93.2336 184.164 -72.2839 GPRESSURE: 3979200 -126.475 -59.1883 -88.1605 89.7612 -31.1758 120.161 -57.1125 152.012 -86.4873 PRESSAVG: 3979200 -19.0268 -8.56847 32.5469 -8.56846 6.76528 13.0133 32.547 13.0132 1.30825 GPRESSAVG: 3979200 -18.7415 -9.82499 32.9121 -6.31309 7.21339 11.8027 31.7774 13.0154 -0.218615 TIMING: 3979200 CPU: 11830.2, 0.00295074/step Wall: 11830.2, 0.00295074/step, 0.836698 hours remaining, 206.980469 MB of memory in use. ENERGY: 3979200 760.1121 2102.3335 1941.5834 116.7538 -206668.9031 17883.6912 0.0000 0.0000 34256.4750 -149607.9541 299.1703 -183864.4290 -149516.6365 297.8979 -120.6763 -81.3794 558828.9630 -3.6511 -3.9156 PRESSURE: 3979400 -65.155 76.2023 -85.9664 76.2016 68.4771 70.711 -85.967 70.7136 52.1369 GPRESSURE: 3979400 -73.0476 72.1051 -32.9609 105.427 88.8656 64.5377 -69.5529 57.5158 124.365 PRESSAVG: 3979400 -4.08183 -12.9178 17.941 -12.9177 8.05903 12.2412 17.941 12.2413 9.5835 GPRESSAVG: 3979400 -4.52484 -13.8051 15.1541 -12.0869 7.48653 13.2274 19.7132 12.9539 10.6445 TIMING: 3979400 CPU: 11830.8, 0.00294229/step Wall: 11830.8, 0.00294228/step, 0.834138 hours remaining, 206.980469 MB of memory in use. ENERGY: 3979400 739.7176 2125.0094 1953.9014 130.8528 -206436.0935 17803.6053 0.0000 0.0000 34280.7529 -149402.2540 299.3823 -183683.0069 -149310.0485 298.5245 18.4863 46.7278 556698.8040 4.5202 4.5354 PRESSURE: 3979600 -120.702 -201.401 -11.8047 -201.401 32.5315 -187.595 -11.8053 -187.594 -176.787 GPRESSURE: 3979600 -97.8096 -168.456 22.9285 -257.912 50.2122 -90.1324 -22.1794 -222.981 -127.008 PRESSAVG: 3979600 2.87454 -22.7276 15.3043 -22.7275 42.198 13.9027 15.3044 13.9028 -21.2909 GPRESSAVG: 3979600 3.41895 -23.7303 17.8859 -24.0558 41.689 13.8565 14.3169 12.3344 -21.1527 TIMING: 3979600 CPU: 11831.4, 0.00296926/step Wall: 11831.4, 0.00296926/step, 0.841621 hours remaining, 206.980469 MB of memory in use. ENERGY: 3979600 717.7670 2162.0870 1918.1561 126.0854 -205996.1968 17553.1700 0.0000 0.0000 34012.0933 -149506.8380 297.0361 -183518.9313 -149414.7729 299.0356 -88.3193 -58.2018 556522.8292 7.9272 7.9851 PRESSURE: 3979800 130.999 -54.9692 -4.4851 -54.9692 -76.7137 109.45 -4.48646 109.449 56.3842 GPRESSURE: 3979800 156.741 -32.9879 -18.545 -54.1759 -103.454 296.903 -4.72728 5.49064 148.418 PRESSAVG: 3979800 -17.3117 -45.5563 44.4766 -45.5564 22.1792 34.1887 44.4766 34.1888 50.4793 GPRESSAVG: 3979800 -17.9312 -43.7615 42.8642 -46.5097 22.1216 32.7976 45.0685 35.2936 51.0116 TIMING: 3979800 CPU: 11832, 0.00295307/step Wall: 11832, 0.00295307/step, 0.836867 hours remaining, 206.980469 MB of memory in use. ENERGY: 3979800 715.8922 2065.7304 1900.1666 121.1472 -206685.7862 17923.2093 0.0000 0.0000 34391.4570 -149568.1835 300.3491 -183959.6405 -149466.8758 298.6603 36.8898 67.2353 557176.7280 18.4489 18.4007 PRESSURE: 3980000 234.615 149.636 -26.2019 149.635 104.151 44.821 -26.2009 44.821 -2.69175 GPRESSURE: 3980000 235.783 157.083 -30.6441 99.163 171.499 -11.2365 2.47762 78.7866 30.5592 PRESSAVG: 3980000 -12.9823 -29.5937 -2.01434 -29.5937 74.2614 97.6987 -2.01423 97.6988 -87.7821 GPRESSAVG: 3980000 -12.1673 -30.7585 -1.93601 -26.2592 73.6622 98.1011 -2.13918 95.6233 -88.1126 TIMING: 3980000 CPU: 11832.6, 0.00297852/step Wall: 11832.6, 0.00297852/step, 0.843913 hours remaining, 206.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3980000 753.8449 2085.9318 1920.0439 102.9549 -206838.2078 18180.9895 0.0000 0.0000 34489.0290 -149305.4139 301.2013 -183794.4429 -149203.8864 299.3113 112.0246 145.9472 557265.3848 -8.8343 -8.8726 PRESSURE: 3980200 247.475 116.296 -43.3076 116.296 247.423 -47.3107 -43.3078 -47.3125 -136.835 GPRESSURE: 3980200 292.208 36.0712 -2.52902 223.864 285.821 -30.7836 -26.7271 -17.1282 -126.15 PRESSAVG: 3980200 7.05132 -2.29037 72.2012 -2.29038 67.7063 18.0121 72.2011 18.0121 -43.0481 GPRESSAVG: 3980200 6.64906 -2.32377 70.865 -2.88024 67.9405 17.6667 73.8368 19.7109 -42.9415 TIMING: 3980200 CPU: 11833.2, 0.00297941/step Wall: 11833.2, 0.00297941/step, 0.844001 hours remaining, 206.980469 MB of memory in use. ENERGY: 3980200 700.2490 2095.9414 1891.3942 122.4644 -206357.8974 17945.7049 0.0000 0.0000 34218.8149 -149383.3286 298.8414 -183602.1435 -149295.3636 299.2285 119.3543 150.6264 557181.5549 10.5699 10.5494 LDB: ============= START OF LOAD BALANCING ============== 11836.7 LDB: ============== END OF LOAD BALANCING =============== 11836.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11836.7 LDB: ============= START OF LOAD BALANCING ============== 11837 LDB: Largest compute 4796 load 0.022416 is 18.9% of average load 0.118293 LDB: Average compute 0.001733 is 1.5% of average load 0.118293 LDB: TIME 11837 LOAD: AVG 0.118293 MAX 0.197854 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 11837 LOAD: AVG 0.118293 MAX 0.197854 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.453 MB LDB: TIME 11837 LOAD: AVG 0.118293 MAX 0.197854 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.453 MB LDB: ============== END OF LOAD BALANCING =============== 11837 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11837 PRESSURE: 3980400 191.308 55.1494 -17.7346 55.15 47.9382 145.381 -17.7353 145.38 -145.625 GPRESSURE: 3980400 236.054 76.3616 -78.6629 105.698 56.1084 219.113 -48.7394 40.8646 -100.17 PRESSAVG: 3980400 -10.4308 10.9802 8.18143 10.9801 31.4263 -16.4821 8.18149 -16.4821 16.8125 GPRESSAVG: 3980400 -11.3199 11.9286 8.56783 8.9134 31.9699 -13.4615 6.82817 -17.0574 16.9492 TIMING: 3980400 CPU: 11833.8, 0.00302203/step Wall: 11833.8, 0.00302203/step, 0.855907 hours remaining, 208.023438 MB of memory in use. ENERGY: 3980400 746.7673 2097.1829 1916.8141 108.9731 -206356.9964 17850.0987 0.0000 0.0000 34313.6618 -149323.4985 299.6697 -183637.1603 -149222.0345 298.9731 31.2071 63.9977 556846.2221 12.6027 12.5331 PRESSURE: 3980600 139.294 -45.606 -16.1756 -45.6069 -137.949 -29.5482 -16.1745 -29.548 -81.9139 GPRESSURE: 3980600 128.696 -97.9373 11.4313 16.5769 -72.6927 -27.584 -22.714 -92.6121 -42.0169 PRESSAVG: 3980600 11.7263 7.68153 -26.4709 7.68143 17.8435 19.1082 -26.4709 19.1081 -15.9579 GPRESSAVG: 3980600 12.0637 8.28211 -26.7205 9.31527 17.9065 18.909 -26.7017 17.9044 -16.3001 TIMING: 3980600 CPU: 11834.4, 0.00295125/step Wall: 11834.4, 0.00295125/step, 0.835696 hours remaining, 208.222656 MB of memory in use. ENERGY: 3980600 720.3073 2159.0544 1911.6913 105.9533 -206318.0448 17851.8624 0.0000 0.0000 34326.2699 -149242.9062 299.7799 -183569.1761 -149157.8247 299.6680 -26.8562 4.6620 556916.5472 4.5373 4.5567 PRESSURE: 3980800 193.873 -44.7877 -194.934 -44.7864 -58.4021 44.577 -194.935 44.5787 274.904 GPRESSURE: 3980800 184.624 69.4372 -220.774 -48.3913 10.6831 46.6127 -224.779 -34.5123 314.763 PRESSAVG: 3980800 22.4444 43.9058 24.4412 43.9058 -48.1467 -6.81615 24.4413 -6.81616 14.8637 GPRESSAVG: 3980800 23.3682 45.5105 26.6128 42.1108 -46.9983 -7.59699 20.949 -6.29303 13.7877 TIMING: 3980800 CPU: 11835, 0.00295641/step Wall: 11835, 0.00295641/step, 0.836993 hours remaining, 208.222656 MB of memory in use. ENERGY: 3980800 711.5177 2142.9674 1918.3601 99.5220 -206243.8030 17898.6005 0.0000 0.0000 34253.7828 -149219.0525 299.1468 -183472.8353 -149117.6147 299.2596 136.7916 170.0235 555882.3155 -3.6129 -3.2808 PRESSURE: 3981000 -163.319 1.90312 -79.4356 1.90374 -96.047 49.3724 -79.4359 49.3723 -320.033 GPRESSURE: 3981000 -46.1435 -63.8459 -160.38 -8.2849 -76.8937 80.9984 -123.722 80.014 -362.683 PRESSAVG: 3981000 58.1313 3.59119 0.441966 3.59123 -9.96789 7.90108 0.441919 7.90128 -45.5942 GPRESSAVG: 3981000 56.9186 4.84483 -0.998723 3.34374 -9.90921 6.29407 4.25479 7.62024 -44.648 TIMING: 3981000 CPU: 11835.6, 0.00293238/step Wall: 11835.6, 0.00293238/step, 0.830027 hours remaining, 208.222656 MB of memory in use. ENERGY: 3981000 799.4318 2124.1269 1916.7012 111.1018 -206209.3354 17570.2836 0.0000 0.0000 34498.9849 -149188.7052 301.2882 -183687.6901 -149095.4433 299.9021 -193.1331 -161.9069 556468.0535 0.8564 0.7871 PRESSURE: 3981200 -222.635 -48.4438 19.96 -48.4435 -142.305 53.9846 19.9591 53.9835 -250.614 GPRESSURE: 3981200 -199.957 -27.225 21.9681 -4.79693 -94.5335 38.7586 5.8873 58.3392 -216.227 PRESSAVG: 3981200 57.7149 -16.3901 2.15093 -16.3901 33.3485 20.7858 2.1509 20.7858 -72.5159 GPRESSAVG: 3981200 58.676 -20.6256 2.97622 -12.4657 31.7534 21.7497 0.694988 21.5371 -72.3204 TIMING: 3981200 CPU: 11836.1, 0.00294325/step Wall: 11836.1, 0.00294325/step, 0.832939 hours remaining, 208.222656 MB of memory in use. ENERGY: 3981200 777.4672 2101.8328 1925.9997 116.5176 -205795.8631 17512.7882 0.0000 0.0000 34216.0270 -149145.2307 298.8171 -183361.2577 -149045.6247 300.1642 -205.1846 -170.2392 558409.1649 6.1825 6.0364 PRESSURE: 3981400 -180.3 -93.4179 52.5452 -93.4165 229.684 79.7712 52.5442 79.7713 -189.643 GPRESSURE: 3981400 -118.472 -20.3027 -54.4341 -190.195 263.395 41.5548 95.628 117.635 -191.675 PRESSAVG: 3981400 3.17389 -41.9265 -3.39782 -41.9266 84.9353 0.832171 -3.39793 0.832213 -28.7808 GPRESSAVG: 3981400 3.11262 -39.9995 -1.85926 -44.0746 86.3272 0.181502 -3.73079 0.923677 -30.4099 TIMING: 3981400 CPU: 11836.7, 0.00293617/step Wall: 11836.7, 0.00293617/step, 0.830772 hours remaining, 208.222656 MB of memory in use. ENERGY: 3981400 779.0634 2044.5353 1963.0832 110.0099 -206142.6166 17701.8022 0.0000 0.0000 34272.6776 -149271.4449 299.3118 -183544.1225 -149178.6902 299.3947 -46.7530 -15.5839 557638.5952 19.7761 19.6766 PRESSURE: 3981600 198.175 157.877 4.67504 157.877 242.933 -42.0375 4.67503 -42.0355 -124.029 GPRESSURE: 3981600 216.967 128.069 -14.2628 149.397 310.943 18.3383 -47.72 -4.76539 -123.385 PRESSAVG: 3981600 18.7551 -5.98374 -38.9826 -5.98368 53.1073 2.38866 -38.9826 2.38867 -43.2501 GPRESSAVG: 3981600 19.8884 -7.93 -40.1633 -5.57931 51.2209 4.11878 -38.3946 2.13958 -41.6971 TIMING: 3981600 CPU: 11837.3, 0.00292796/step Wall: 11837.3, 0.00292795/step, 0.828286 hours remaining, 208.222656 MB of memory in use. ENERGY: 3981600 794.3202 2107.5965 1948.0286 117.3016 -205954.6895 17840.8074 0.0000 0.0000 34047.4914 -149099.1438 297.3452 -183146.6353 -149000.5597 298.8803 105.6929 134.8417 557872.1328 9.5374 9.8041 PRESSURE: 3981800 -102.786 -78.4556 25.7239 -78.4559 -134.344 89.1229 25.7234 89.1229 0.758049 GPRESSURE: 3981800 -4.24502 43.8046 6.12703 -148.761 -137.9 103.099 106.381 101.722 3.22292 PRESSAVG: 3981800 54.6317 35.9035 -12.3284 35.9036 -59.1147 -18.7202 -12.3284 -18.7203 10.3547 GPRESSAVG: 3981800 54.4744 37.9799 -13.1232 35.8952 -58.1327 -21.3981 -12.0138 -17.6442 10.2109 TIMING: 3981800 CPU: 11837.9, 0.00291765/step Wall: 11837.9, 0.00291765/step, 0.82521 hours remaining, 208.222656 MB of memory in use. ENERGY: 3981800 734.0599 2113.7867 1918.3808 115.1151 -205674.8623 17584.1115 0.0000 0.0000 34107.2828 -149102.1256 297.8674 -183209.4083 -149008.3544 298.8511 -78.7909 -46.3072 558086.1044 1.9572 2.1842 PRESSURE: 3982000 179.681 -66.7887 -0.00183166 -66.7887 169.546 -98.3347 -0.00149825 -98.3343 -14.8108 GPRESSURE: 3982000 212.764 -11.7935 58.3529 -46.7747 157.251 -30.4169 -14.3703 -198.764 58.5939 PRESSAVG: 3982000 87.2704 39.527 -9.21629 39.527 -86.1615 39.575 -9.21639 39.575 -13.5743 GPRESSAVG: 3982000 86.8266 38.7545 -8.39167 38.565 -86.033 40.3507 -8.19304 36.0225 -13.6375 TIMING: 3982000 CPU: 11838.5, 0.00291412/step Wall: 11838.5, 0.00291412/step, 0.824048 hours remaining, 208.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3982000 750.0316 2128.6795 1937.2089 121.1997 -206160.2775 17933.3555 0.0000 0.0000 34032.8230 -149256.9793 297.2171 -183289.8024 -149162.5757 299.1309 111.4722 142.8696 558286.2822 -4.1551 -4.2813 PRESSURE: 3982200 -337.051 -133.788 -173.392 -133.788 -43.608 9.4844 -173.392 9.48424 -0.489521 GPRESSURE: 3982200 -287.543 -117.313 -146.937 -127.068 -30.9784 34.5917 -211.44 -50.3009 34.9106 PRESSAVG: 3982200 -9.84974 -25.0092 35.9482 -25.0091 -76.2745 -11.003 35.9482 -11.0029 87.1058 GPRESSAVG: 3982200 -10.8862 -25.0611 34.1506 -23.3015 -76.4297 -11.944 36.4448 -9.1856 88.2947 TIMING: 3982200 CPU: 11839.1, 0.00293123/step Wall: 11839.1, 0.00293123/step, 0.828724 hours remaining, 208.222656 MB of memory in use. ENERGY: 3982200 736.8335 2102.1888 1943.8052 113.0400 -206091.2528 17739.5218 0.0000 0.0000 34270.6809 -149185.1826 299.2944 -183455.8635 -149086.4862 299.1597 -127.0493 -94.5370 558357.5538 0.3272 0.3263 PRESSURE: 3982400 26.8677 2.03998 188.454 2.03952 231.316 81.3812 188.454 81.3823 -166.924 GPRESSURE: 3982400 66.1401 40.0451 213.101 57.7946 223.351 137.989 194.414 8.80592 -90.1605 PRESSAVG: 3982400 -34.8089 48.8156 86.5893 48.8155 -28.3665 -16.4794 86.5892 -16.4794 5.75418 GPRESSAVG: 3982400 -34.8466 47.8164 86.1377 49.2962 -28.1149 -17.4323 86.121 -15.0987 5.69806 TIMING: 3982400 CPU: 11839.7, 0.00291723/step Wall: 11839.7, 0.00291723/step, 0.824604 hours remaining, 208.222656 MB of memory in use. ENERGY: 3982400 742.5633 2159.9718 1939.8512 108.4309 -206446.6567 17967.7502 0.0000 0.0000 34365.9245 -149162.1648 300.1262 -183528.0893 -149063.5552 299.7224 30.4200 66.4437 558905.4791 -19.1404 -19.0878 PRESSURE: 3982600 66.7066 64.9188 -121.101 64.9189 92.6806 -69.7595 -121.101 -69.7596 -217.732 GPRESSURE: 3982600 40.4901 73.9714 -135.38 50.0913 109.171 -138.877 -142.444 -68.5352 -116.923 PRESSAVG: 3982600 19.8019 16.4344 30.0208 16.4342 -5.4427 -28.7487 30.0208 -28.7488 24.2129 GPRESSAVG: 3982600 20.5541 15.795 29.618 15.3711 -5.4349 -27.6645 31.8127 -30.8511 23.2257 TIMING: 3982600 CPU: 11840.2, 0.00292412/step Wall: 11840.2, 0.00292412/step, 0.826388 hours remaining, 208.222656 MB of memory in use. ENERGY: 3982600 758.8318 2097.7845 1944.0753 111.9344 -206199.4940 17926.0192 0.0000 0.0000 34193.9709 -149166.8778 298.6245 -183360.8488 -149066.7908 299.5285 -19.4482 10.9129 559162.9519 12.8574 12.7816 PRESSURE: 3982800 -105.439 -70.7963 -115.571 -70.7973 -136.614 122.316 -115.573 122.315 -4.39261 GPRESSURE: 3982800 -78.8451 -56.4207 -56.9416 -58.0067 -101.705 158.651 -156.809 189.533 32.7678 PRESSAVG: 3982800 15.3669 35.5567 30.351 35.5567 -6.70015 26.7956 30.351 26.7956 -12.4803 GPRESSAVG: 3982800 15.6802 37.3759 30.4986 35.7172 -7.09111 25.37 28.6134 30.6196 -12.3811 TIMING: 3982800 CPU: 11840.8, 0.00295916/step Wall: 11840.8, 0.00295916/step, 0.836128 hours remaining, 208.222656 MB of memory in use. ENERGY: 3982800 751.2797 2104.7172 1943.4804 118.6388 -206087.8566 17901.0710 0.0000 0.0000 34209.8646 -149058.8048 298.7633 -183268.6694 -148964.7245 299.6845 -82.1486 -49.2607 558980.0835 -1.2712 -1.2640 PRESSURE: 3983000 -78.009 61.3224 98.1175 61.3221 -18.031 60.4135 98.1174 60.4121 -281.589 GPRESSURE: 3983000 -39.6668 26.3177 52.7269 156.335 14.9937 63.8639 108.294 23.605 -257.444 PRESSAVG: 3983000 40.9418 36.5853 -32.2447 36.5853 4.92254 23.8863 -32.2447 23.8862 -53.5947 GPRESSAVG: 3983000 39.3332 36.344 -29.0569 35.9072 5.16027 25.4526 -33.4366 22.3478 -52.7657 TIMING: 3983000 CPU: 11841.4, 0.00295333/step Wall: 11841.4, 0.00295333/step, 0.834316 hours remaining, 208.222656 MB of memory in use. ENERGY: 3983000 760.0493 2129.3962 1944.5754 111.9291 -205909.8687 17729.8105 0.0000 0.0000 34161.1926 -149072.9157 298.3382 -183234.1082 -148977.0431 299.7446 -125.8762 -94.0390 560319.6196 -2.5768 -2.7574 PRESSURE: 3983200 14.044 28.186 -172.969 28.1856 204.71 -2.00594 -172.969 -2.00541 33.6351 GPRESSURE: 3983200 25.826 9.85239 -184.599 87.4136 314.692 36.1129 -112.296 -69.0497 10.5173 PRESSAVG: 3983200 -0.425747 2.74592 -11.9962 2.74579 36.5644 -7.19808 -11.9963 -7.1981 -34.9727 GPRESSAVG: 3983200 1.61363 3.65054 -16.2571 4.04097 36.0439 -8.28331 -11.8277 -7.74424 -36.6716 TIMING: 3983200 CPU: 11842, 0.00293606/step Wall: 11842, 0.00293606/step, 0.829274 hours remaining, 208.222656 MB of memory in use. ENERGY: 3983200 729.0795 2108.6635 1933.8900 116.6808 -206300.2246 18095.7783 0.0000 0.0000 34290.8526 -149025.2800 299.4705 -183316.1325 -148934.6811 299.5981 84.1297 117.0119 559816.4247 0.3887 0.3287 PRESSURE: 3983400 -127.042 87.8015 43.3584 87.8011 123.879 46.8619 43.3583 46.8609 -98.5497 GPRESSURE: 3983400 -159.618 94.5528 0.755887 202.199 200.057 -4.82163 44.7176 81.8583 -37.8605 PRESSAVG: 3983400 -44.4262 -13.4041 -3.42377 -13.4041 40.5802 33.4308 -3.42364 33.4308 -6.44165 GPRESSAVG: 3983400 -46.5018 -14.4683 2.91625 -14.1772 40.9964 34.3356 -4.27834 33.1505 -4.51405 TIMING: 3983400 CPU: 11842.6, 0.00293938/step Wall: 11842.6, 0.00293938/step, 0.83005 hours remaining, 208.222656 MB of memory in use. ENERGY: 3983400 730.7648 2188.1216 1939.9003 122.9653 -205995.4440 17722.0179 0.0000 0.0000 34286.5135 -149005.1607 299.4326 -183291.6742 -148908.7538 299.0397 -33.9040 0.8595 559413.7636 -3.4292 -3.3398 PRESSURE: 3983600 -194.506 -14.131 110.326 -14.1305 -149.649 39.8639 110.326 39.8638 -76.4812 GPRESSURE: 3983600 -120.939 62.6745 58.0102 -41.3652 -186.082 61.7922 107.81 -25.0815 -26.6712 PRESSAVG: 3983600 -46.3798 -16.5033 7.38063 -16.5034 78.7521 7.04953 7.38065 7.04945 -53.9749 GPRESSAVG: 3983600 -45.8894 -16.2937 4.67431 -16.0391 79.1093 6.73679 8.25228 8.24747 -55.0515 TIMING: 3983600 CPU: 11843.2, 0.00293787/step Wall: 11843.2, 0.00293787/step, 0.829459 hours remaining, 208.222656 MB of memory in use. ENERGY: 3983600 769.4450 2102.5809 1954.9442 121.3423 -206002.0756 17619.8049 0.0000 0.0000 34273.4235 -149160.5347 299.3183 -183433.9581 -149065.3250 299.3818 -140.2120 -111.2309 561090.2197 -7.2009 -7.2772 PRESSURE: 3983800 104.686 123.264 -34.1007 123.265 -103.202 36.2405 -34.1014 36.2416 -170.555 GPRESSURE: 3983800 152.769 35.1351 -55.7027 126.859 -73.1071 -5.83215 32.4507 -3.8218 -153.11 PRESSAVG: 3983800 59.1771 -14.1721 19.8885 -14.1722 28.9674 6.79455 19.8884 6.79453 -77.2074 GPRESSAVG: 3983800 59.6269 -13.0999 20.2053 -15.673 27.8511 7.76277 18.9568 5.94504 -76.6449 TIMING: 3983800 CPU: 11843.8, 0.00290261/step Wall: 11843.8, 0.00290261/step, 0.819341 hours remaining, 208.222656 MB of memory in use. ENERGY: 3983800 765.3639 2115.7691 1935.6557 122.0469 -206209.3628 17884.4723 0.0000 0.0000 34260.5025 -149125.5524 299.2055 -183386.0548 -149027.3154 299.8692 -56.3571 -24.4827 559483.0810 3.6457 3.6110 PRESSURE: 3984000 62.9106 72.7068 104.287 72.7062 158.952 -41.5816 104.287 -41.5824 -14.848 GPRESSURE: 3984000 78.0587 88.2135 66.5442 30.4412 185.867 -116.483 95.9256 74.9706 37.6711 PRESSAVG: 3984000 41.117 5.65385 28.4328 5.65382 21.312 15.6574 28.4329 15.6573 -45.012 GPRESSAVG: 3984000 40.3927 4.57356 27.7713 5.63663 22.2212 12.9417 29.649 17.2832 -45.259 TIMING: 3984000 CPU: 11844.4, 0.00292146/step Wall: 11844.4, 0.00292146/step, 0.8245 hours remaining, 208.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3984000 727.6061 2158.6705 1939.9982 113.1347 -206144.9087 17897.4814 0.0000 0.0000 34271.3469 -149036.6708 299.3002 -183308.0177 -148941.1567 300.2075 69.0047 100.5321 559064.9759 5.8056 5.7850 PRESSURE: 3984200 285.448 39.3698 45.1456 39.3708 -225.178 69.3735 45.1459 69.3728 -8.83426 GPRESSURE: 3984200 272.732 73.5089 37.6836 24.1897 -97.1111 1.3102 20.0844 29.2899 -27.3129 PRESSAVG: 3984200 -21.548 -4.14975 -4.22066 -4.14977 11.8583 -12.5669 -4.22059 -12.5668 11.8077 GPRESSAVG: 3984200 -20.0768 -3.90447 -4.83864 -2.86941 10.125 -11.9187 -3.70053 -12.1089 11.8666 TIMING: 3984200 CPU: 11844.9, 0.00292176/step Wall: 11844.9, 0.00292176/step, 0.824423 hours remaining, 208.222656 MB of memory in use. ENERGY: 3984200 758.4615 2166.8459 1921.0896 114.9955 -206274.3121 18027.9273 0.0000 0.0000 34315.3567 -148969.6357 299.6845 -183284.9924 -148873.1599 300.4681 17.1452 49.4359 558874.1947 0.7060 0.6383 LDB: ============= START OF LOAD BALANCING ============== 11848.5 LDB: ============== END OF LOAD BALANCING =============== 11848.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11848.5 LDB: ============= START OF LOAD BALANCING ============== 11848.8 LDB: Largest compute 4796 load 0.021358 is 18.1% of average load 0.118254 LDB: Average compute 0.001738 is 1.5% of average load 0.118254 LDB: TIME 11848.8 LOAD: AVG 0.118254 MAX 0.197761 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.188 MB LDB: TIME 11848.8 LOAD: AVG 0.118254 MAX 0.197761 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.191 MB LDB: TIME 11848.8 LOAD: AVG 0.118254 MAX 0.197761 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.191 MB LDB: ============== END OF LOAD BALANCING =============== 11848.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11848.8 PRESSURE: 3984400 -177.523 23.6764 130.964 23.676 -125.232 117.121 130.965 117.121 -63.0074 GPRESSURE: 3984400 -157.547 38.2549 109.699 -9.91867 -129.522 68.5604 163.266 63.9873 16.9143 PRESSAVG: 3984400 14.5659 25.3306 41.5796 25.3306 -70.5499 55.2077 41.5797 55.2077 28.4932 GPRESSAVG: 3984400 13.2981 24.5692 43.9896 25.3402 -70.4647 54.3512 38.9226 52.8921 30.0354 TIMING: 3984400 CPU: 11845.5, 0.00300116/step Wall: 11845.5, 0.00300116/step, 0.84666 hours remaining, 207.187500 MB of memory in use. ENERGY: 3984400 755.2935 2182.1832 1947.0824 128.1403 -205698.6039 17622.1533 0.0000 0.0000 34231.3089 -148832.4423 298.9505 -183063.7511 -148733.0951 300.4095 -121.9206 -90.0514 557978.0503 -9.1636 -9.0438 PRESSURE: 3984600 -91.9084 -106.849 93.3742 -106.849 -324.617 106.219 93.3757 106.218 -91.4629 GPRESSURE: 3984600 -56.4213 -60.1299 126.481 -28.109 -260.249 150.629 112.272 129.911 -86.4422 PRESSAVG: 3984600 12.1071 1.33187 18.9379 1.33182 16.0912 0.0577892 18.9378 0.0580036 -7.56808 GPRESSAVG: 3984600 12.1202 1.15012 16.9195 2.70048 15.0837 1.10352 20.3367 0.566781 -6.32641 TIMING: 3984600 CPU: 11846.1, 0.00296197/step Wall: 11846.1, 0.00296197/step, 0.835441 hours remaining, 207.187500 MB of memory in use. ENERGY: 3984600 730.6823 2159.3085 1926.7466 126.2464 -205855.9613 17634.2361 0.0000 0.0000 34432.0958 -148846.6457 300.7041 -183278.7414 -148748.9489 299.9708 -169.3293 -134.3708 557690.8211 6.8768 6.9592 PRESSURE: 3984800 88.5612 71.812 -38.5254 71.812 -191.603 31.691 -38.5257 31.6917 43.1184 GPRESSURE: 3984800 81.8705 109.652 -16.1714 37.6551 -127.562 11.9073 -73.1955 75.0842 86.4523 PRESSAVG: 3984800 53.8777 -25.984 38.1612 -25.984 -85.0815 -1.39784 38.1612 -1.39802 31.3226 GPRESSAVG: 3984800 54.332 -23.5211 36.9048 -28.9254 -84.2035 -1.45065 37.3505 -2.27082 29.9469 TIMING: 3984800 CPU: 11846.7, 0.00295928/step Wall: 11846.7, 0.00295928/step, 0.834517 hours remaining, 207.187500 MB of memory in use. ENERGY: 3984800 737.6834 2194.1102 1931.1133 117.0661 -206301.9313 17908.9535 0.0000 0.0000 34424.0240 -148988.9808 300.6336 -183413.0048 -148884.1590 299.5924 -19.9744 13.5868 557697.6057 0.0396 0.0251 PRESSURE: 3985000 96.2338 133.692 173.568 133.691 53.0377 -45.1641 173.568 -45.1659 -182.287 GPRESSURE: 3985000 112.971 106.033 170.715 120.593 98.2351 -99.9074 112.544 -36.9311 -147.782 PRESSAVG: 3985000 5.38858 42.7426 -0.842672 42.7426 -18.6203 11.2352 -0.842622 11.2352 42.7315 GPRESSAVG: 3985000 5.24194 40.7728 0.380416 43.897 -18.1909 10.5461 -2.03449 13.6701 42.7217 TIMING: 3985000 CPU: 11847.3, 0.00296338/step Wall: 11847.3, 0.00296338/step, 0.83551 hours remaining, 207.187500 MB of memory in use. ENERGY: 3985000 720.9834 2109.5704 1924.7646 103.7096 -205796.1072 17571.1906 0.0000 0.0000 34430.3293 -148935.5593 300.6886 -183365.8886 -148833.2321 299.6122 -11.0053 21.1416 557330.2280 9.8333 9.9243 PRESSURE: 3985200 129.375 29.8078 -147.672 29.8085 59.2472 -17.7596 -147.674 -17.7604 -252.904 GPRESSURE: 3985200 143.789 23.2494 -90.9368 35.2514 69.632 -7.25967 -200.934 41.0494 -186.28 PRESSAVG: 3985200 39.6603 21.7227 -69.4477 21.7227 9.8183 40.9207 -69.4477 40.9207 -32.3714 GPRESSAVG: 3985200 40.1056 22.1061 -69.3844 21.0261 9.71378 41.874 -67.343 38.6326 -32.1835 TIMING: 3985200 CPU: 11847.9, 0.00295998/step Wall: 11847.9, 0.00295998/step, 0.834385 hours remaining, 207.187500 MB of memory in use. ENERGY: 3985200 792.8188 2126.9496 1931.5210 109.2110 -205904.0917 17769.8447 0.0000 0.0000 34325.5898 -148848.1569 299.7739 -183173.7466 -148751.2718 300.3233 -21.4273 9.0473 556705.5359 5.7024 5.8786 PRESSURE: 3985400 12.0042 135.907 -50.8734 135.907 -79.154 280.112 -50.8716 280.111 -150.581 GPRESSURE: 3985400 35.5186 19.0167 -83.3615 252.48 -81.2189 229.359 -27.9999 319.092 -69.3126 PRESSAVG: 3985400 6.28698 -5.24912 -72.6456 -5.24909 -8.82792 7.16212 -72.6454 7.16203 11.2343 GPRESSAVG: 3985400 5.76976 -5.48187 -72.9633 -4.48631 -9.7032 6.018 -73.27 9.23217 13.4137 TIMING: 3985400 CPU: 11848.5, 0.00294632/step Wall: 11848.5, 0.00294632/step, 0.830371 hours remaining, 207.187500 MB of memory in use. ENERGY: 3985400 776.7451 2165.4697 1917.7625 108.1110 -205774.7985 17554.0036 0.0000 0.0000 34282.4102 -148970.2964 299.3968 -183252.7066 -148876.5139 300.2343 -72.5769 -38.3376 557679.3339 2.8978 3.1601 PRESSURE: 3985600 -141.241 20.9372 -158.818 20.9377 -53.7928 199.67 -158.819 199.67 29.5339 GPRESSURE: 3985600 -87.3865 93.4497 -89.0168 63.5759 -40.1692 213.688 -250.018 154.792 64.6394 PRESSAVG: 3985600 2.27247 30.6227 4.97928 30.6227 -33.8266 55.5113 4.97927 55.5115 1.91902 GPRESSAVG: 3985600 3.11625 31.4949 3.53331 29.6309 -32.1642 58.3533 5.03979 51.8868 -0.556433 TIMING: 3985600 CPU: 11849.1, 0.00293406/step Wall: 11849.1, 0.00293406/step, 0.826752 hours remaining, 207.187500 MB of memory in use. ENERGY: 3985600 716.0486 2082.3249 1945.6856 114.8589 -205698.4328 17390.2576 0.0000 0.0000 34557.2604 -148891.9965 301.7972 -183449.2570 -148790.9815 299.7755 -55.1665 -20.9721 557508.1543 -9.8784 -9.8681 PRESSURE: 3985800 122.966 -41.8978 35.5228 -41.8956 -28.0963 -48.8137 35.5243 -48.8142 -218.799 GPRESSURE: 3985800 95.9944 -19.2722 90.7743 -160.557 -48.632 -61.0357 64.0292 -50.8404 -80.3211 PRESSAVG: 3985800 -19.521 7.57943 5.46934 7.57952 51.1409 -10.5722 5.46934 -10.5721 -62.8275 GPRESSAVG: 3985800 -19.8833 7.27824 8.75366 8.46277 51.3749 -12.118 4.85682 -8.32349 -62.2545 TIMING: 3985800 CPU: 11849.7, 0.00292086/step Wall: 11849.7, 0.00292086/step, 0.82287 hours remaining, 207.187500 MB of memory in use. ENERGY: 3985800 717.0179 2069.7563 1942.1373 106.2129 -205889.8433 17721.4633 0.0000 0.0000 34481.4331 -148851.8224 301.1349 -183333.2555 -148748.3981 300.3131 -41.3097 -10.9863 558064.3533 -10.4025 -10.2543 PRESSURE: 3986000 -390.521 72.3381 49.6121 72.338 30.4674 -107.799 49.613 -107.799 -134.867 GPRESSURE: 3986000 -313.83 114.344 19.3772 77.1916 11.0298 -146.667 134.902 -22.0916 -91.7717 PRESSAVG: 3986000 -1.64822 -69.1558 -27.3751 -69.1558 -70.5887 -32.9624 -27.3751 -32.9624 42.9103 GPRESSAVG: 3986000 -1.83154 -68.3988 -26.9824 -70.0241 -71.1107 -33.1997 -28.665 -33.7939 43.7381 TIMING: 3986000 CPU: 11850.2, 0.00290996/step Wall: 11850.2, 0.00290996/step, 0.819639 hours remaining, 207.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3986000 779.5217 2126.8888 1932.4087 105.2401 -205749.0320 17448.8409 0.0000 0.0000 34446.1286 -148910.0032 300.8266 -183356.1318 -148820.9414 300.7168 -164.9735 -131.5241 556406.6314 -9.7756 -9.7347 PRESSURE: 3986200 -167.232 -134.171 -30.6673 -134.171 -69.4729 117.724 -30.6689 117.723 -37.3456 GPRESSURE: 3986200 -79.0945 -155.748 -21.7604 -153.876 -35.508 111.63 -34.8175 116.329 -46.985 PRESSAVG: 3986200 3.9801 -50.0568 -61.0996 -50.0568 12.3537 -45.0516 -61.0996 -45.0516 -30.2135 GPRESSAVG: 3986200 4.52132 -51.1087 -62.1772 -50.4399 12.1194 -45.7465 -60.196 -44.4675 -30.3909 TIMING: 3986200 CPU: 11850.8, 0.00290431/step Wall: 11850.8, 0.00290431/step, 0.817887 hours remaining, 207.187500 MB of memory in use. ENERGY: 3986200 773.8840 2079.4453 1908.6689 108.6815 -205557.0411 17625.9423 0.0000 0.0000 34335.3789 -148725.0401 299.8594 -183060.4190 -148622.3004 300.7022 -91.3501 -53.8625 557537.7948 -4.6266 -4.5834 PRESSURE: 3986400 -13.9973 -96.4045 21.5655 -96.4052 -237.041 -6.78349 21.5643 -6.78411 -334.003 GPRESSURE: 3986400 -0.817741 -88.7797 -81.181 -124.346 -169.317 91.578 85.4756 -120.395 -312.07 PRESSAVG: 3986400 9.42201 -4.17417 -98.0794 -4.17424 7.03178 -41.8647 -98.0794 -41.8646 -66.8069 GPRESSAVG: 3986400 8.76117 -3.95491 -98.7099 -2.95944 8.14391 -40.2948 -98.0581 -42.2843 -67.1597 TIMING: 3986400 CPU: 11851.4, 0.00291275/step Wall: 11851.4, 0.00291275/step, 0.8201 hours remaining, 207.187500 MB of memory in use. ENERGY: 3986400 749.0426 2128.7284 1935.8704 126.8425 -205885.8463 17604.5293 0.0000 0.0000 34479.4044 -148861.4288 301.1172 -183340.8332 -148767.3682 300.7529 -195.0137 -160.7350 557449.9203 -16.7844 -16.7516 PRESSURE: 3986600 -132.884 170.454 -73.8478 170.455 110.354 62.3952 -73.8485 62.3971 -465.767 GPRESSURE: 3986600 -98.9554 179.016 -130.929 173.426 132.951 30.4973 -117.446 32.5098 -435.018 PRESSAVG: 3986600 -55.0869 -20.7866 23.3032 -20.7866 2.77165 -47.9374 23.3033 -47.9374 48.1589 GPRESSAVG: 3986600 -53.8458 -19.4677 21.1551 -20.3028 1.84084 -48.0243 24.5918 -48.5471 48.0314 TIMING: 3986600 CPU: 11852, 0.00292922/step Wall: 11852, 0.00292922/step, 0.824576 hours remaining, 207.187500 MB of memory in use. ENERGY: 3986600 786.7280 2156.6374 1926.6662 123.0459 -205599.3926 17422.8097 0.0000 0.0000 34452.8926 -148730.6129 300.8857 -183183.5055 -148638.0186 301.4877 -162.7655 -133.6740 557186.5981 -1.3855 -1.3245 PRESSURE: 3986800 -284.298 -80.5165 -160.244 -80.5163 55.8197 -83.1467 -160.243 -83.1462 194.326 GPRESSURE: 3986800 -244.742 -91.8476 -102.186 -88.1189 93.6264 -65.9703 -181.548 -22.6257 215.924 PRESSAVG: 3986800 -71.9251 -52.0566 -9.07007 -52.0565 46.3707 -33.1403 -9.07013 -33.1403 5.12577 GPRESSAVG: 3986800 -72.4919 -50.9779 -7.56796 -54.1867 46.4901 -33.9885 -9.06588 -31.3404 5.27806 TIMING: 3986800 CPU: 11852.6, 0.00295609/step Wall: 11852.6, 0.00295609/step, 0.831974 hours remaining, 207.187500 MB of memory in use. ENERGY: 3986800 775.7924 2124.8267 1923.1889 118.3245 -205549.3237 17628.7408 0.0000 0.0000 34425.1749 -148553.2756 300.6436 -182978.4505 -148450.3518 301.0070 -11.3839 21.6029 557370.7245 -6.8095 -6.9079 PRESSURE: 3987000 14.3476 -134.037 57.6899 -134.036 -52.8632 -99.5507 57.6895 -99.549 -181.106 GPRESSURE: 3987000 55.3802 -99.0442 20.638 -158.681 6.12435 -106.923 114.55 -133.817 -176.269 PRESSAVG: 3987000 -6.97752 -24.5116 28.9347 -24.5115 -15.2547 -20.5099 28.9346 -20.51 27.3396 GPRESSAVG: 3987000 -7.17165 -29.0151 30.329 -23.5939 -14.0536 -20.4555 28.4003 -20.2415 27.2896 TIMING: 3987000 CPU: 11853.2, 0.00294886/step Wall: 11853.2, 0.00294886/step, 0.829776 hours remaining, 207.187500 MB of memory in use. ENERGY: 3987000 753.7387 2146.9952 1917.6308 113.6091 -205501.1657 17537.2443 0.0000 0.0000 34455.5497 -148576.3979 300.9089 -183031.9476 -148482.7865 301.0213 -73.2071 -38.2548 557681.4580 1.7024 2.0215 PRESSURE: 3987200 -18.1637 -69.0112 -134.209 -69.0116 83.7034 -25.7448 -134.208 -25.7452 -233.069 GPRESSURE: 3987200 11.8719 -44.6064 -123 -36.3861 67.9179 57.8605 -130.343 -19.5227 -146.913 PRESSAVG: 3987200 -11.5478 0.521349 17.4464 0.521235 -1.97601 4.29325 17.4463 4.2932 -6.05002 GPRESSAVG: 3987200 -11.5555 1.50358 16.7743 2.57295 -1.99612 6.45733 18.2687 4.68122 -5.29427 TIMING: 3987200 CPU: 11853.8, 0.00296559/step Wall: 11853.8, 0.00296559/step, 0.834321 hours remaining, 207.187500 MB of memory in use. ENERGY: 3987200 758.6275 2119.3709 1931.1185 113.1318 -205942.8281 17841.4252 0.0000 0.0000 34471.3695 -148707.7848 301.0470 -183179.1542 -148606.4373 301.1512 -55.8431 -22.3744 558868.2547 -6.5246 -6.2820 PRESSURE: 3987400 -22.4448 22.1907 -189.572 22.1916 131.411 -165.084 -189.571 -165.084 -104.864 GPRESSURE: 3987400 20.5771 36.8018 -73.7363 42.3933 191.582 -195.028 -136.86 -158.994 -113.632 PRESSAVG: 3987400 7.0539 -9.97863 -33.585 -9.97863 -84.6881 32.5609 -33.585 32.5608 44.1427 GPRESSAVG: 3987400 7.10031 -7.877 -35.1935 -11.4307 -85.0751 30.6843 -34.6899 32.7729 44.0526 TIMING: 3987400 CPU: 11854.4, 0.00295126/step Wall: 11854.4, 0.00295126/step, 0.830123 hours remaining, 207.187500 MB of memory in use. ENERGY: 3987400 760.7744 2093.7862 1947.1738 110.8666 -205758.6204 17706.4568 0.0000 0.0000 34596.6989 -148542.8637 302.1416 -183139.5626 -148451.6801 301.8013 1.3672 32.8423 557575.8794 -11.1638 -11.3074 PRESSURE: 3987600 -221.604 231.218 19.881 231.22 40.4989 12.6629 19.8808 12.6642 17.9076 GPRESSURE: 3987600 -182.403 205.16 44.6106 215.478 42.4754 -55.1494 -36.1165 6.78144 76.2262 PRESSAVG: 3987600 -72.0004 -9.43356 -8.32967 -9.43351 44.3846 -11.196 -8.3296 -11.196 57.7356 GPRESSAVG: 3987600 -72.1716 -8.32337 -7.34918 -11.9086 44.3299 -10.4228 -7.10832 -12.6228 57.6819 TIMING: 3987600 CPU: 11854.9, 0.00294426/step Wall: 11854.9, 0.00294426/step, 0.827991 hours remaining, 207.187500 MB of memory in use. ENERGY: 3987600 784.0987 2126.4413 1912.0791 123.5634 -205896.8475 17848.5570 0.0000 0.0000 34309.8222 -148792.2858 299.6362 -183102.1080 -148697.4321 301.0059 -54.3992 -21.2338 558991.5545 10.0399 9.9468 PRESSURE: 3987800 -140.433 -231.909 61.7584 -231.908 -118.104 -11.2607 61.7586 -11.2614 247.406 GPRESSURE: 3987800 -86.1601 -296.629 36.179 -243.905 -60.3666 18.0891 11.3742 -30.1386 232.839 PRESSAVG: 3987800 -28.2658 7.81841 26.5791 7.8183 -26.9808 -26.5846 26.5791 -26.5846 66.3886 GPRESSAVG: 3987800 -27.7625 5.16668 26.1354 9.98687 -27.4576 -26.2433 24.911 -27.156 66.3742 TIMING: 3987800 CPU: 11855.5, 0.00295753/step Wall: 11855.5, 0.00295753/step, 0.83156 hours remaining, 207.187500 MB of memory in use. ENERGY: 3987800 749.2314 2160.3534 1926.9420 119.7837 -206383.6425 18005.7316 0.0000 0.0000 34632.2560 -148789.3444 302.4521 -183421.6004 -148697.3155 300.6043 -3.7106 28.7707 558785.0149 3.7140 3.7180 PRESSURE: 3988000 -213.969 -45.4099 -50.9719 -45.4105 -26.5826 -69.8062 -50.9718 -69.8052 -156.264 GPRESSURE: 3988000 -214.34 -75.3989 -28.5386 -6.71511 -39.0888 62.4956 -12.59 -21.2481 -57.0593 PRESSAVG: 3988000 -61.7365 -14.244 2.52112 -14.2441 28.2322 -10.6275 2.52123 -10.6276 1.3002 GPRESSAVG: 3988000 -60.9252 -13.5354 4.30172 -13.8469 27.045 -11.0242 3.3105 -12.2997 1.65965 TIMING: 3988000 CPU: 11856.1, 0.00293779/step Wall: 11856.1, 0.00293779/step, 0.825846 hours remaining, 207.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3988000 730.2881 2064.0747 1948.9641 107.1251 -205458.4397 17520.0534 0.0000 0.0000 34267.0090 -148820.9252 299.2623 -183087.9343 -148727.7930 301.0960 -132.2718 -103.4959 559739.3465 -10.7347 -10.7402 PRESSURE: 3988200 -74.8018 -146.311 63.3933 -146.311 -170.256 -187.545 63.3927 -187.543 34.6236 GPRESSURE: 3988200 -2.51259 -213.949 -29.5133 -101.866 -192.852 -122.478 137.308 -194.094 83.1392 PRESSAVG: 3988200 -32.6497 -69.4083 6.96698 -69.4083 28.4718 20.9424 6.96699 20.9423 10.7641 GPRESSAVG: 3988200 -32.9506 -67.9295 4.41842 -68.678 29.1031 21.2667 7.22739 24.4429 10.593 TIMING: 3988200 CPU: 11856.7, 0.00293073/step Wall: 11856.7, 0.00293073/step, 0.823697 hours remaining, 207.187500 MB of memory in use. ENERGY: 3988200 790.2298 2088.3685 1957.1403 117.5223 -206075.8593 17759.2169 0.0000 0.0000 34438.7470 -148924.6344 300.7621 -183363.3814 -148825.8129 300.1048 -70.1447 -37.4084 557554.8563 2.1954 2.2485 LDB: ============= START OF LOAD BALANCING ============== 11860.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11860.3 LDB: =============== DONE WITH MIGRATION ================ 11860.3 LDB: ============= START OF LOAD BALANCING ============== 11860.6 LDB: Largest compute 4796 load 0.021942 is 18.5% of average load 0.118386 LDB: Average compute 0.001729 is 1.5% of average load 0.118386 LDB: TIME 11860.6 LOAD: AVG 0.118386 MAX 0.198494 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.121 MB LDB: TIME 11860.6 LOAD: AVG 0.118386 MAX 0.198494 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.121 MB LDB: TIME 11860.6 LOAD: AVG 0.118386 MAX 0.198494 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11860.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11860.6 PRESSURE: 3988400 46.2945 -104.209 -9.70829 -104.209 -65.8885 -59.6064 -9.70855 -59.6058 -282.702 GPRESSURE: 3988400 72.7142 -52.6459 13.8958 -137.706 -85.2589 -5.71485 -22.3295 -110.341 -198.072 PRESSAVG: 3988400 6.54426 28.858 4.58802 28.8581 -56.2611 -28.2872 4.58795 -28.2872 35.8223 GPRESSAVG: 3988400 7.05511 26.9668 8.42987 28.2182 -56.4496 -29.2051 4.34606 -30.2947 35.338 TIMING: 3988400 CPU: 11857.3, 0.0030117/step Wall: 11857.3, 0.0030117/step, 0.846287 hours remaining, 206.609375 MB of memory in use. ENERGY: 3988400 783.1465 2125.3569 1961.0357 113.1770 -205617.0781 17383.5590 0.0000 0.0000 34236.3148 -149014.4882 298.9943 -183250.8030 -148916.7901 300.0008 -100.7652 -70.2054 556620.3118 -4.6315 -4.6855 PRESSURE: 3988600 138.708 59.1723 -2.47617 59.1718 253.137 -88.8416 -2.4762 -88.8412 38.3282 GPRESSURE: 3988600 207.756 62.8379 -118.81 67.5904 297.534 -75.4562 27.9935 -53.3931 39.3535 PRESSAVG: 3988600 40.7725 -5.95708 -7.43839 -5.95709 7.46976 6.9031 -7.43843 6.90315 -39.9705 GPRESSAVG: 3988600 39.5984 -5.39241 -9.86734 -5.54493 7.87398 6.93129 -6.90243 7.02867 -39.3113 TIMING: 3988600 CPU: 11857.9, 0.00294868/step Wall: 11857.9, 0.00294868/step, 0.828416 hours remaining, 206.808594 MB of memory in use. ENERGY: 3988600 771.1153 2054.8348 1949.0229 101.3196 -206475.4247 18112.6433 0.0000 0.0000 34544.6956 -148941.7932 301.6874 -183486.4888 -148843.5119 299.9627 143.3912 181.5478 555620.8319 2.7572 2.7204 PRESSURE: 3988800 -310.738 12.6057 11.7631 12.6069 147.319 84.4194 11.7641 84.4202 -6.23609 GPRESSURE: 3988800 -273.187 8.10966 73.2401 47.149 160.543 95.8154 -80.5556 -8.73397 43.4453 PRESSAVG: 3988800 -20.2248 8.87646 26.9896 8.87643 3.3827 50.8842 26.9897 50.8842 -5.51181 GPRESSAVG: 3988800 -20.1154 9.19911 26.9551 8.37351 3.81782 50.7386 24.1787 49.2655 -5.60003 TIMING: 3988800 CPU: 11858.5, 0.00293577/step Wall: 11858.5, 0.00293577/step, 0.824625 hours remaining, 206.808594 MB of memory in use. ENERGY: 3988800 747.1956 2113.4385 1931.1278 115.9949 -206183.6026 17745.4400 0.0000 0.0000 34421.6554 -149108.7504 300.6129 -183530.4057 -149015.1059 299.4336 -56.5515 -23.0664 557600.5353 -7.4513 -7.2992 PRESSURE: 3989000 44.391 63.3324 -1.47948 63.3331 -130.557 71.2255 -1.47826 71.2281 -170.972 GPRESSURE: 3989000 106.762 -19.4385 63.9113 132.835 -102.468 84.3199 23.8163 49.4717 -164.687 PRESSAVG: 3989000 1.57207 31.2756 38.7579 31.2755 -4.31331 33.4417 38.7579 33.4416 2.29747 GPRESSAVG: 3989000 1.1216 31.4584 38.8056 31.7279 -5.13697 33.0026 40.5633 35.3183 3.4143 TIMING: 3989000 CPU: 11859.1, 0.00293658/step Wall: 11859.1, 0.00293658/step, 0.824689 hours remaining, 206.808594 MB of memory in use. ENERGY: 3989000 765.3091 2128.1992 1931.2556 108.2454 -206372.3542 17904.0427 0.0000 0.0000 34241.9523 -149293.3499 299.0435 -183535.3022 -149199.8399 299.4076 -85.7126 -53.4645 559306.7908 -0.1479 -0.2004 PRESSURE: 3989200 -207.897 56.5021 115.43 56.5013 -342.314 189.377 115.431 189.378 -101.809 GPRESSURE: 3989200 -210.679 118.298 62.8256 -21.607 -221.104 127.226 195.677 173.255 -123.543 PRESSAVG: 3989200 2.04759 -36.5605 14.7672 -36.5606 -44.5944 39.6302 14.7671 39.6301 49.2466 GPRESSAVG: 3989200 2.56901 -39.5256 14.9782 -34.157 -44.7812 41.2371 15.4431 37.2536 48.5957 TIMING: 3989200 CPU: 11859.7, 0.00294286/step Wall: 11859.7, 0.00294286/step, 0.826289 hours remaining, 206.808594 MB of memory in use. ENERGY: 3989200 765.8351 2094.6888 1942.2330 118.4945 -206037.6443 17575.4404 0.0000 0.0000 34303.5890 -149237.3636 299.5818 -183540.9526 -149147.0910 299.0031 -217.3400 -185.1090 559384.4491 2.2333 2.1278 PRESSURE: 3989400 -119.737 56.699 120.892 56.6991 -158.767 -12.9503 120.893 -12.9492 -44.9311 GPRESSURE: 3989400 -38.4439 59.0509 174.826 41.058 -157.747 -14.1878 120.407 97.2403 -42.4815 PRESSAVG: 3989400 59.4295 -32.671 8.8568 -32.671 28.1697 22.5877 8.85674 22.5877 -33.1881 GPRESSAVG: 3989400 59.5743 -29.3972 6.74102 -34.0155 29.5273 20.6906 9.71771 24.7993 -35.1433 TIMING: 3989400 CPU: 11860.3, 0.00295962/step Wall: 11860.3, 0.00295962/step, 0.830831 hours remaining, 206.808594 MB of memory in use. ENERGY: 3989400 764.5755 2114.1319 1915.4518 115.2291 -206119.5495 17674.2160 0.0000 0.0000 34370.2784 -149165.6666 300.1642 -183535.9450 -149062.1711 299.1808 -107.8116 -79.5573 557847.5796 18.1370 17.9861 PRESSURE: 3989600 -104.197 -114.084 -65.8864 -114.084 67.9587 141.219 -65.8865 141.217 -18.3498 GPRESSURE: 3989600 -83.2768 -117.708 -12.0845 -122.085 82.0272 45.8149 -134.644 145.874 40.0708 PRESSAVG: 3989600 -15.8039 -41.3327 -23.8043 -41.3327 50.4875 78.5967 -23.8043 78.5967 -35.3635 GPRESSAVG: 3989600 -18.0442 -41.2016 -22.0597 -41.6795 50.3925 78.282 -24.6017 79.4267 -33.0808 TIMING: 3989600 CPU: 11860.9, 0.0029539/step Wall: 11860.9, 0.0029539/step, 0.829062 hours remaining, 206.808594 MB of memory in use. ENERGY: 3989600 741.7178 2041.7655 1964.2727 116.6514 -206422.2943 17892.8770 0.0000 0.0000 34383.3912 -149281.6187 300.2787 -183665.0099 -149182.4230 299.5887 -18.1959 12.9404 557202.4208 -0.2266 -0.2442 PRESSURE: 3989800 139.963 54.6757 239.898 54.6751 102.244 71.3832 239.896 71.3829 -117.356 GPRESSURE: 3989800 144.353 29.4225 284.906 15.7558 145.934 79.6802 203.523 83.0017 -72.0416 PRESSAVG: 3989800 25.6318 -40.2001 0.613748 -40.2 10.3889 -19.9528 0.613717 -19.9529 -4.44424 GPRESSAVG: 3989800 26.6458 -39.1859 1.18561 -40.1932 10.5269 -17.8738 -0.220606 -19.6324 -5.66639 TIMING: 3989800 CPU: 11861.4, 0.00295204/step Wall: 11861.4, 0.00295204/step, 0.828374 hours remaining, 206.808594 MB of memory in use. ENERGY: 3989800 757.2689 2160.9667 1932.0112 107.6998 -206012.6501 17868.2704 0.0000 0.0000 34076.3625 -149110.0707 297.5973 -183186.4331 -149024.0340 299.5622 41.6166 72.7485 558105.5510 10.5255 10.5021 PRESSURE: 3990000 302.419 -38.3879 37.8564 -38.388 118.131 -238.967 37.8566 -238.967 110.866 GPRESSURE: 3990000 341.268 -8.55277 41.1601 -81.8662 97.7356 -297.536 36.0638 -172.557 189.17 PRESSAVG: 3990000 -31.4175 -69.3468 -24.9841 -69.3468 47.0608 5.73369 -24.9841 5.73368 -58.5796 GPRESSAVG: 3990000 -30.093 -70.0983 -24.9486 -70.9893 44.5491 5.12089 -24.2037 5.05849 -57.2609 TIMING: 3990000 CPU: 11862, 0.0029453/step Wall: 11862, 0.0029453/step, 0.826321 hours remaining, 206.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3990000 731.5425 2066.2831 1955.8629 103.7146 -206351.7639 18042.0858 0.0000 0.0000 34384.5189 -149067.7562 300.2886 -183452.2751 -148975.0890 298.8726 177.1386 209.3911 558285.0363 -14.3121 -14.2683 PRESSURE: 3990200 -73.3022 -129.203 -50.8199 -129.203 291.236 -34.591 -50.82 -34.5907 0.330206 GPRESSURE: 3990200 9.45125 -221.543 -72.4735 -104.035 374.218 -5.42429 40.1886 -40.2328 -73.2357 PRESSAVG: 3990200 27.1297 5.79123 49.7562 5.79118 -41.837 -57.101 49.7562 -57.1009 -57.3032 GPRESSAVG: 3990200 26.1472 3.68665 50.6467 9.04242 -40.6959 -56.334 47.4342 -58.5074 -57.4825 TIMING: 3990200 CPU: 11862.6, 0.00293098/step Wall: 11862.6, 0.00293098/step, 0.822139 hours remaining, 206.808594 MB of memory in use. ENERGY: 3990200 728.0677 2047.9290 1937.6136 112.2536 -205952.2161 17886.6744 0.0000 0.0000 34258.7359 -148980.9418 299.1901 -183239.6777 -148897.0794 299.5825 72.7547 103.4777 557251.6172 -24.0035 -24.0104 PRESSURE: 3990400 -21.4484 -85.5105 3.59074 -85.5108 36.1773 -161.803 3.58998 -161.802 -231.414 GPRESSURE: 3990400 -17.6022 -138.982 -37.3677 -81.4912 54.2602 -137.985 35.4345 -134.344 -174.624 PRESSAVG: 3990400 71.0121 -4.25395 -0.377067 -4.25394 -0.701876 -38.1864 -0.377065 -38.1865 -31.9991 GPRESSAVG: 3990400 71.8648 -1.78409 -1.75884 -8.13234 -1.57641 -40.4388 0.437307 -36.3794 -31.7081 TIMING: 3990400 CPU: 11863.2, 0.00292225/step Wall: 11863.2, 0.00292225/step, 0.819529 hours remaining, 206.980469 MB of memory in use. ENERGY: 3990400 760.8608 2041.4193 1936.0609 118.3196 -205787.7705 17733.3369 0.0000 0.0000 34181.2188 -149016.5542 298.5131 -183197.7730 -148917.9873 299.9940 -72.2283 -45.9888 557316.0695 12.7704 12.8601 PRESSURE: 3990600 19.9811 -154.986 60.6244 -154.985 -94.7968 -80.7701 60.6237 -80.7696 -118.207 GPRESSURE: 3990600 71.7895 -130.918 148.41 -198.279 -16.1519 -58.1634 -14.3863 -79.1962 -139.998 PRESSAVG: 3990600 -33.7648 -18.9517 31.605 -18.9517 10.1435 8.32268 31.605 8.32275 18.7521 GPRESSAVG: 3990600 -35.3489 -22.8631 30.8614 -13.6635 11.7293 10.8827 33.1489 4.91374 18.4033 TIMING: 3990600 CPU: 11863.8, 0.00294191/step Wall: 11863.8, 0.00294191/step, 0.82488 hours remaining, 206.980469 MB of memory in use. ENERGY: 3990600 725.9585 2051.9963 1975.8622 115.9523 -206390.7249 17926.4271 0.0000 0.0000 34428.5546 -149165.9738 300.6731 -183594.5285 -149071.0002 299.5557 -64.3409 -28.1202 558370.1982 -1.6231 -1.7388 PRESSURE: 3990800 230.758 1.0987 -80.8531 1.09991 22.94 17.3954 -80.8529 17.3942 -177.61 GPRESSURE: 3990800 276.581 67.1434 -169.328 29.1673 16.8042 91.4288 -69.524 92.1062 -129.966 PRESSAVG: 3990800 44.2307 -19.8245 -0.129558 -19.8244 19.7688 36.1346 -0.129533 36.1347 -69.7165 GPRESSAVG: 3990800 44.2693 -18.485 2.05534 -22.2911 19.8519 35.4112 -2.79388 39.2028 -70.0841 TIMING: 3990800 CPU: 11864.4, 0.00294105/step Wall: 11864.4, 0.00294105/step, 0.824474 hours remaining, 206.980469 MB of memory in use. ENERGY: 3990800 752.3006 2071.4591 1941.3964 116.4983 -206181.8121 17816.1108 0.0000 0.0000 34303.6038 -149180.4431 299.5819 -183484.0469 -149083.0322 299.6149 25.3626 54.4729 557526.2114 -1.9057 -1.9876 PRESSURE: 3991000 -335.149 -61.3218 -73.2053 -61.3217 -41.7427 -28.6122 -73.2073 -28.6117 -66.4016 GPRESSURE: 3991000 -318.116 15.9145 -147.383 -139.542 25.7827 -51.6014 -101.217 -162.89 -54.0458 PRESSAVG: 3991000 50.6319 -10.401 -22.4268 -10.401 -29.8424 28.0634 -22.4267 28.0634 -29.726 GPRESSAVG: 3991000 50.3087 -9.28937 -23.6793 -12.2522 -30.2424 27.109 -21.1397 27.1925 -28.8136 TIMING: 3991000 CPU: 11865, 0.00291991/step Wall: 11865, 0.00291991/step, 0.818385 hours remaining, 206.980469 MB of memory in use. ENERGY: 3991000 759.0778 2076.7832 1948.9967 108.3800 -205891.1602 17579.7282 0.0000 0.0000 34179.5595 -149238.6347 298.4986 -183418.1942 -149148.8860 298.9797 -147.7645 -115.4596 558871.0426 -2.9789 -2.9158 PRESSURE: 3991200 -201.329 14.9069 115.039 14.9055 26.2028 -16.7032 115.041 -16.7041 -137.679 GPRESSURE: 3991200 -192.087 -21.4196 81.3564 63.5884 39.5739 35.6881 41.7229 -43.0578 -60.4014 PRESSAVG: 3991200 17.198 -25.0466 -51.2048 -25.0466 16.1356 8.60696 -51.2048 8.60699 -17.6932 GPRESSAVG: 3991200 17.0064 -26.8747 -53.5339 -22.7873 16.2446 8.89019 -50.8949 8.60576 -17.5665 TIMING: 3991200 CPU: 11865.5, 0.00293088/step Wall: 11865.5, 0.00293088/step, 0.821298 hours remaining, 206.980469 MB of memory in use. ENERGY: 3991200 754.1975 2050.3855 1961.1050 117.6282 -206017.9290 17726.6241 0.0000 0.0000 34289.1386 -149118.8501 299.4556 -183407.9887 -149014.2535 299.3386 -104.2683 -70.9716 559438.1445 5.2135 5.2282 PRESSURE: 3991400 -380.352 70.565 130.908 70.5652 -194.258 37.9554 130.907 37.955 -22.9694 GPRESSURE: 3991400 -326.061 151.845 100.324 22.8368 -188.47 61.5617 181.775 -19.6308 18.1892 PRESSAVG: 3991400 -54.7284 -14.0614 18.0666 -14.0614 17.1402 3.22444 18.0666 3.22441 -21.9194 GPRESSAVG: 3991400 -53.962 -12.3294 22.0774 -15.1913 16.7017 2.56336 15.7743 3.00142 -22.2273 TIMING: 3991400 CPU: 11866.1, 0.00295257/step Wall: 11866.1, 0.00295257/step, 0.827211 hours remaining, 206.980469 MB of memory in use. ENERGY: 3991400 730.5530 2071.3542 1969.3722 130.5247 -205640.5236 17386.8499 0.0000 0.0000 34177.5372 -149174.3325 298.4809 -183351.8696 -149082.8961 299.4814 -199.1932 -165.4471 558579.5686 -19.8359 -19.8292 PRESSURE: 3991600 135.002 -45.9268 59.3801 -45.9267 -93.7637 104.384 59.3809 104.385 -46.6816 GPRESSURE: 3991600 201.753 -66.464 39.0269 -41.097 40.2069 64.9067 -31.1757 81.3808 -142.988 PRESSAVG: 3991600 -3.70232 -24.4484 33.5239 -24.4484 61.0956 -0.602017 33.5239 -0.601996 -44.3898 GPRESSAVG: 3991600 -2.65144 -24.6766 31.5219 -25.8478 61.5987 0.339401 33.1563 1.00657 -45.5972 TIMING: 3991600 CPU: 11866.7, 0.00295287/step Wall: 11866.7, 0.00295287/step, 0.82713 hours remaining, 206.980469 MB of memory in use. ENERGY: 3991600 719.7659 2094.1858 1962.3844 117.2654 -206412.8701 17841.6832 0.0000 0.0000 34390.6150 -149286.9705 300.3418 -183677.5854 -149185.7842 298.9535 -1.8143 32.9907 557106.1248 4.3345 4.4500 PRESSURE: 3991800 57.9136 68.4689 90.9164 68.4681 230.058 -30.1624 90.9161 -30.1639 12.3984 GPRESSURE: 3991800 138.046 121.326 137.646 76.8032 226.557 1.50346 79.374 -45.1458 34.525 PRESSAVG: 3991800 26.9719 10.526 -5.13301 10.526 22.4261 60.6232 -5.13301 60.6232 -47.3374 GPRESSAVG: 3991800 27.032 11.6697 -4.04515 12.2335 21.4755 58.9124 -2.61498 60.7826 -46.2575 TIMING: 3991800 CPU: 11867.3, 0.00294051/step Wall: 11867.3, 0.00294051/step, 0.823506 hours remaining, 206.980469 MB of memory in use. ENERGY: 3991800 735.4252 2086.8215 1922.7955 128.0688 -206146.4435 17865.1652 0.0000 0.0000 34079.5542 -149328.6130 297.6252 -183408.1672 -149240.9952 297.9444 100.1233 133.0427 557976.9568 0.6869 0.7500 PRESSURE: 3992000 24.6072 -34.1502 -6.63883 -34.1501 -102.647 22.7955 -6.63875 22.7976 240.415 GPRESSURE: 3992000 84.1454 -45.4453 18.548 -109.679 -35.4319 56.5181 22.0648 52.1676 219.483 PRESSAVG: 3992000 21.0601 -18.3287 37.2728 -18.3287 -6.96028 37.8059 37.2727 37.8059 -3.9799 GPRESSAVG: 3992000 20.2564 -17.9944 37.8637 -19.4579 -5.28759 39.7728 36.3406 34.7826 -4.57995 TIMING: 3992000 CPU: 11867.9, 0.00292421/step Wall: 11867.9, 0.00292421/step, 0.81878 hours remaining, 206.980469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3992000 702.0646 2062.2263 1941.8930 122.3218 -206525.9422 17899.0481 0.0000 0.0000 34427.6642 -149370.7243 300.6654 -183798.3885 -149265.2397 298.9878 54.1248 89.3989 555938.1446 3.3733 3.4630 PRESSURE: 3992200 22.4141 -61.984 -67.3767 -61.983 -90.2027 -1.22797 -67.3777 -1.22832 -263.246 GPRESSURE: 3992200 62.8729 -63.0347 -22.5525 -15.8324 -108.432 -10.2703 -43.0623 79.0239 -212.371 PRESSAVG: 3992200 -61.2273 16.1152 7.42675 16.1151 25.4957 20.0457 7.42668 20.0458 13.8445 GPRESSAVG: 3992200 -60.779 14.9135 4.52745 16.1905 26.0408 20.4975 6.86307 21.1218 12.4897 TIMING: 3992200 CPU: 11868.5, 0.00293371/step Wall: 11868.5, 0.00293371/step, 0.821276 hours remaining, 206.980469 MB of memory in use. ENERGY: 3992200 726.6779 2038.5708 1931.2727 117.0255 -206064.3139 17598.8882 0.0000 0.0000 34202.7589 -149449.1200 298.7012 -183651.8789 -149350.4971 298.7358 -110.3450 -85.9769 557588.0025 -7.2957 -7.4162 LDB: ============= START OF LOAD BALANCING ============== 11872 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11872 LDB: =============== DONE WITH MIGRATION ================ 11872 LDB: ============= START OF LOAD BALANCING ============== 11872.3 LDB: Largest compute 4796 load 0.022158 is 18.7% of average load 0.118315 LDB: Average compute 0.001728 is 1.5% of average load 0.118315 LDB: TIME 11872.3 LOAD: AVG 0.118315 MAX 0.197368 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 11872.3 LOAD: AVG 0.118315 MAX 0.197368 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.457 MB LDB: TIME 11872.3 LOAD: AVG 0.118315 MAX 0.197368 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.457 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11872.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11872.3 PRESSURE: 3992400 90.9234 100.027 -81.0959 100.027 157.587 156.211 -81.0954 156.21 -58.7955 GPRESSURE: 3992400 55.1688 -1.22358 -96.8009 168.434 252.679 103.549 -8.37442 125.779 -22.0327 PRESSAVG: 3992400 -107.865 4.48687 -7.19211 4.48692 40.5384 7.49742 -7.19218 7.49759 32.4292 GPRESSAVG: 3992400 -108.664 4.18592 -5.47571 6.00832 39.2287 5.85299 -7.38709 7.84208 34.3782 TIMING: 3992400 CPU: 11869.1, 0.00300403/step Wall: 11869.1, 0.00300403/step, 0.840794 hours remaining, 208.535156 MB of memory in use. ENERGY: 3992400 742.5112 2025.8552 1900.3561 112.6565 -206404.4973 18056.8563 0.0000 0.0000 34217.7554 -149348.5067 298.8322 -183566.2621 -149247.9191 298.0758 63.2384 95.2718 559380.1815 -11.6324 -11.6855 PRESSURE: 3992600 247.98 27.9024 -95.5533 27.902 -35.8897 94.5587 -95.5531 94.5588 23.7522 GPRESSURE: 3992600 251.468 -36.6163 -136.822 65.0674 23.4816 164.205 -41.8887 93.5363 62.9942 PRESSAVG: 3992600 -20.2503 -7.32607 -34.1894 -7.326 16.542 -26.3806 -34.1895 -26.3807 -21.5428 GPRESSAVG: 3992600 -19.1394 -5.12742 -34.9236 -8.95725 14.9761 -26.5933 -32.9978 -27.2798 -21.1852 TIMING: 3992600 CPU: 11869.7, 0.00295528/step Wall: 11869.7, 0.00295528/step, 0.826987 hours remaining, 208.605469 MB of memory in use. ENERGY: 3992600 745.2050 2038.6109 1922.9086 124.4656 -206266.5633 17925.5360 0.0000 0.0000 34296.7670 -149213.0701 299.5222 -183509.8371 -149119.3677 298.9103 78.6141 112.6480 557123.9969 -8.4171 -8.4495 PRESSURE: 3992800 -2.20741 49.1894 -149.126 49.1909 -232.559 -146.752 -149.128 -146.752 -74.2435 GPRESSURE: 3992800 41.9532 16.2023 -157.461 91.4129 -179.08 -99.9844 -39.6688 -86.6346 -68.2787 PRESSAVG: 3992800 50.7112 29.5329 0.920619 29.5329 -18.9767 -40.2278 0.920586 -40.2278 -10.8994 GPRESSAVG: 3992800 50.8999 27.6255 0.579329 30.6202 -18.7504 -38.0951 0.717915 -38.8422 -11.1417 TIMING: 3992800 CPU: 11870.3, 0.00295238/step Wall: 11870.3, 0.00295238/step, 0.826011 hours remaining, 208.605469 MB of memory in use. ENERGY: 3992800 746.9396 2025.0482 1941.2608 107.1825 -205834.0928 17454.5150 0.0000 0.0000 34414.6361 -149144.5107 300.5516 -183559.1468 -149048.4091 299.3956 -103.0034 -68.4686 556645.8755 6.9450 7.0026 PRESSURE: 3993000 -68.2468 18.0405 -11.3147 18.0401 -208.73 -174.404 -11.3164 -174.405 -151.434 GPRESSURE: 3993000 9.43041 -46.835 18.7056 129.942 -186.463 -154.599 -33.1809 -226.249 -156.149 PRESSAVG: 3993000 72.7348 35.7179 -12.6264 35.7178 -54.3753 -84.4406 -12.6263 -84.4405 -21.2311 GPRESSAVG: 3993000 71.7888 35.3818 -9.75699 35.4759 -53.7375 -85.2416 -14.2997 -85.7351 -21.4202 TIMING: 3993000 CPU: 11870.9, 0.00292252/step Wall: 11870.9, 0.00292252/step, 0.817492 hours remaining, 208.605469 MB of memory in use. ENERGY: 3993000 760.8656 2040.2769 1916.8491 114.6609 -205570.6340 17467.1530 0.0000 0.0000 34097.6932 -149173.1355 297.7836 -183270.8286 -149079.7037 299.1068 -142.8035 -111.0606 558215.3590 -0.9572 -1.1230 PRESSURE: 3993200 -79.4202 -26.6065 -55.9938 -26.608 112.118 -98.2504 -55.9932 -98.2502 -77.6216 GPRESSURE: 3993200 -83.5903 -32.8067 40.2967 -19.8438 155.923 -49.5934 -64.6349 -97.3026 -32.6508 PRESSAVG: 3993200 -21.749 11.8287 14.214 11.8286 27.1077 -11.54 14.214 -11.5401 -17.5125 GPRESSAVG: 3993200 -21.7875 13.4683 11.3441 10.5232 26.9331 -10.9821 17.4074 -10.3301 -17.3957 TIMING: 3993200 CPU: 11871.4, 0.00295687/step Wall: 11871.4, 0.00295687/step, 0.826938 hours remaining, 208.605469 MB of memory in use. ENERGY: 3993200 758.0775 2086.3789 1916.8368 112.1738 -206588.3654 17957.0914 0.0000 0.0000 34519.2670 -149238.5401 301.4653 -183757.8070 -149137.1342 299.7725 -14.9746 13.2274 555992.8033 -4.0513 -4.0834 PRESSURE: 3993400 173.007 -60.5273 -35.0269 -60.528 -31.3316 -16.2763 -35.0279 -16.2765 -193.027 GPRESSURE: 3993400 252.141 -72.0657 24.1402 -64.3035 -22.5198 -14.0973 23.2279 -51.2679 -173.733 PRESSAVG: 3993400 -11.0098 -8.33003 -12.879 -8.32998 13.1308 -16.5261 -12.8789 -16.5261 -19.3259 GPRESSAVG: 3993400 -11.2359 -10.3605 -12.0677 -7.36852 13.7463 -17.9609 -14.2629 -16.7521 -20.0246 TIMING: 3993400 CPU: 11872, 0.00294437/step Wall: 11872, 0.00294437/step, 0.82328 hours remaining, 208.605469 MB of memory in use. ENERGY: 3993400 741.7432 2083.3188 1920.1066 113.5676 -206156.9314 17656.9437 0.0000 0.0000 34275.1027 -149366.1488 299.3330 -183641.2515 -149270.9460 299.5654 -17.1171 18.6296 557361.4496 -5.7350 -5.8381 PRESSURE: 3993600 -290.523 69.2997 -148.744 69.3002 -300.217 -14.318 -148.745 -14.3181 -222.802 GPRESSURE: 3993600 -274.657 -38.7923 -85.5327 68.2624 -271.476 14.1812 -152.854 -14.6088 -168.265 PRESSAVG: 3993600 18.2003 11.4534 10.2365 11.4534 79.8782 34.3907 10.2365 34.3906 -89.8851 GPRESSAVG: 3993600 17.7326 12.136 10.9383 11.6791 78.8514 35.369 8.21001 31.9951 -88.8934 TIMING: 3993600 CPU: 11872.6, 0.00293313/step Wall: 11872.6, 0.00293313/step, 0.819973 hours remaining, 208.890625 MB of memory in use. ENERGY: 3993600 744.5128 2101.6309 1923.4033 107.9736 -206217.6406 17562.4250 0.0000 0.0000 34258.9745 -149518.7205 299.1921 -183777.6949 -149424.5391 298.3091 -271.1808 -238.1326 555801.3009 2.7311 2.5635 PRESSURE: 3993800 32.0036 -32.9914 -17.1185 -32.9935 85.9394 -69.6566 -17.12 -69.6572 277.785 GPRESSURE: 3993800 71.1627 -14.981 3.77972 -49.1328 101.055 -59.9594 -26.0373 -55.4664 314.731 PRESSAVG: 3993800 43.0568 -50.8737 -19.0921 -50.8738 30.0804 13.1086 -19.0921 13.1085 -42.4098 GPRESSAVG: 3993800 43.714 -50.2598 -19.6142 -51.0975 29.8717 13.6983 -17.6923 13.8824 -42.5266 TIMING: 3993800 CPU: 11873.2, 0.0029234/step Wall: 11873.2, 0.0029234/step, 0.81709 hours remaining, 208.890625 MB of memory in use. ENERGY: 3993800 749.3359 2063.1934 1937.1573 115.2934 -206783.4262 18044.6585 0.0000 0.0000 34207.3612 -149666.4266 298.7414 -183873.7878 -149570.3453 298.3602 131.9092 162.3163 555278.8381 10.2425 10.3530 PRESSURE: 3994000 50.9139 -155.845 106.721 -155.845 264.633 69.8299 106.721 69.8307 -8.20389 GPRESSURE: 3994000 82.841 -212.51 90.4076 -37.0561 256.126 25.4095 66.674 77.9983 72.9632 PRESSAVG: 3994000 40.0263 -48.2004 -12.5178 -48.2002 -5.7486 -28.0107 -12.5178 -28.0106 -10.0062 GPRESSAVG: 3994000 39.148 -48.7691 -11.2648 -46.6872 -5.25151 -28.4972 -13.3021 -28.7986 -9.72818 TIMING: 3994000 CPU: 11873.8, 0.00293329/step Wall: 11873.8, 0.00293329/step, 0.81969 hours remaining, 208.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3994000 769.5040 2040.4236 1946.5939 102.0657 -206864.3045 18070.7641 0.0000 0.0000 34060.6697 -149874.2834 297.4603 -183934.9531 -149781.8323 297.6644 102.4475 137.3100 555185.8790 8.0905 8.0561 PRESSURE: 3994200 26.3926 -149.169 25.3294 -149.169 14.709 108.394 25.3297 108.396 -160.378 GPRESSURE: 3994200 6.09836 -127.297 27.952 -116.93 54.888 73.276 91.2852 145.305 -88.3661 PRESSAVG: 3994200 -17.8849 23.2197 -18.214 23.2198 14.6189 47.3061 -18.214 47.3061 22.3318 GPRESSAVG: 3994200 -17.737 24.6794 -17.7681 20.8314 14.3969 47.8739 -18.155 49.0576 22.8629 TIMING: 3994200 CPU: 11874.4, 0.0029119/step Wall: 11874.4, 0.0029119/step, 0.813552 hours remaining, 208.890625 MB of memory in use. ENERGY: 3994200 685.8417 2135.3529 1924.6157 125.8828 -206305.4901 17552.1034 0.0000 0.0000 34091.1955 -149790.4980 297.7269 -183881.6935 -149701.0702 297.8357 -39.7587 -9.1266 556190.9361 6.3553 6.5076 PRESSURE: 3994400 -218.606 180.534 -198.6 180.533 -244.166 -45.4692 -198.601 -45.4688 -246.556 GPRESSURE: 3994400 -189.473 176.714 -236.493 242.246 -264.898 10.7333 -191.422 -63.158 -152.315 PRESSAVG: 3994400 -49.6771 -1.11118 -16.9233 -1.11112 4.04593 43.1322 -16.9233 43.1322 3.28154 GPRESSAVG: 3994400 -49.1019 -1.67248 -17.9323 -1.07969 4.00182 42.6393 -18.0089 44.8373 3.06729 TIMING: 3994400 CPU: 11875, 0.00291642/step Wall: 11875, 0.00291642/step, 0.814652 hours remaining, 208.890625 MB of memory in use. ENERGY: 3994400 753.4945 2069.9390 1926.2449 106.1985 -206455.6439 17587.0592 0.0000 0.0000 34130.1229 -149882.5849 298.0669 -184012.7078 -149785.0324 297.8891 -236.4428 -202.2286 557178.1737 -14.1165 -14.0109 PRESSURE: 3994600 -143.351 -52.5762 173.674 -52.5753 -143.023 155.162 173.674 155.162 108.707 GPRESSURE: 3994600 -102.52 -66.3211 248.927 -50.7324 -142.701 172.286 199.827 116.6 149.734 PRESSAVG: 3994600 -48.0572 0.632196 -22.5696 0.63222 0.0643619 -6.32927 -22.5696 -6.32926 63.9924 GPRESSAVG: 3994600 -48.0649 0.190049 -24.4965 2.58019 -0.39825 -5.22096 -20.9539 -8.93287 64.3986 TIMING: 3994600 CPU: 11875.5, 0.00293195/step Wall: 11875.5, 0.00293195/step, 0.818828 hours remaining, 208.890625 MB of memory in use. ENERGY: 3994600 752.7512 2060.7208 1957.6177 112.1720 -206863.0285 17943.0643 0.0000 0.0000 34223.7154 -149812.9870 298.8842 -184036.7024 -149711.4954 297.7948 -59.2222 -31.8293 557519.4735 5.3332 5.3118 PRESSURE: 3994800 -412.387 -32.4978 12.4273 -32.4967 -75.4117 189.86 12.4271 189.86 -95.1402 GPRESSURE: 3994800 -378.563 53.1597 -50.0579 -97.4789 -50.655 259.698 33.8268 142.561 -65.1687 PRESSAVG: 3994800 -81.7325 -57.8811 2.8484 -57.8811 -24.1511 -17.0703 2.84842 -17.0704 76.0678 GPRESSAVG: 3994800 -81.1132 -56.3224 6.02654 -58.9345 -24.2595 -19.1005 0.75527 -15.6469 75.6361 TIMING: 3994800 CPU: 11876.1, 0.00293617/step Wall: 11876.1, 0.00293617/step, 0.819843 hours remaining, 208.890625 MB of memory in use. ENERGY: 3994800 777.2882 2094.7354 1925.1040 100.2194 -206784.2069 18063.7544 0.0000 0.0000 33993.9669 -149829.1386 296.8778 -183823.1055 -149726.9963 297.7163 -194.3131 -164.7956 557997.4829 -9.9386 -9.9122 PRESSURE: 3995000 -80.8334 28.5128 77.9383 28.5134 -67.1217 46.9822 77.939 46.9822 -92.0843 GPRESSURE: 3995000 23.9368 -25.0604 86.459 9.00395 -127.148 -73.4171 121.623 28.146 -42.3216 PRESSAVG: 3995000 3.94051 -11.7464 26.4816 -11.7464 -83.4972 -35.9912 26.4815 -35.9911 23.7658 GPRESSAVG: 3995000 2.65405 -12.1746 24.0518 -11.3383 -83.1543 -35.4525 29.4376 -37.4178 24.8606 TIMING: 3995000 CPU: 11876.7, 0.00292299/step Wall: 11876.7, 0.00292299/step, 0.816 hours remaining, 208.890625 MB of memory in use. ENERGY: 3995000 738.1847 2102.3521 1921.2806 106.9026 -206272.9701 17576.5461 0.0000 0.0000 34130.5075 -149697.1965 298.0702 -183827.7040 -149600.4320 297.0647 -80.0131 -48.5108 557596.7536 -18.5970 -18.5466 PRESSURE: 3995200 -37.4476 -115.278 -50.6696 -115.278 -7.46357 -5.79986 -50.6703 -5.79943 -2.72461 GPRESSURE: 3995200 -14.6421 -60.2887 -9.91228 -61.469 1.93292 26.8157 -63.2692 -8.51258 51.877 PRESSAVG: 3995200 27.5315 -39.784 37.6787 -39.7842 -55.5616 -3.59807 37.6787 -3.59811 30.8173 GPRESSAVG: 3995200 27.3534 -38.6678 38.9292 -43.2111 -53.6892 -2.97921 37.4598 -6.40223 29.2196 TIMING: 3995200 CPU: 11877.3, 0.00293211/step Wall: 11877.3, 0.00293211/step, 0.818385 hours remaining, 208.890625 MB of memory in use. ENERGY: 3995200 744.5420 2092.4902 1958.3390 114.4115 -206814.8872 18112.2815 0.0000 0.0000 33850.1932 -149942.6296 295.6222 -183792.8229 -149846.0168 297.2015 -15.8786 13.0559 558242.1564 0.9291 0.9612 PRESSURE: 3995400 -125.329 185.792 -5.40251 185.792 -65.2152 10.9627 -5.40243 10.9627 -72.962 GPRESSURE: 3995400 -63.6551 160.964 -68.3302 225.137 -31.6507 -73.0998 -121.457 90.8163 -64.8337 PRESSAVG: 3995400 23.4981 -7.64369 10.6756 -7.64362 2.38155 -29.168 10.6756 -29.168 -37.4469 GPRESSAVG: 3995400 23.6804 -8.28425 10.7711 -4.3492 0.911112 -29.3525 8.58684 -28.5979 -36.1053 TIMING: 3995400 CPU: 11877.9, 0.0029577/step Wall: 11877.9, 0.0029577/step, 0.825362 hours remaining, 208.890625 MB of memory in use. ENERGY: 3995400 738.6051 2083.2615 1927.0479 111.7822 -206684.1074 17832.4137 0.0000 0.0000 34016.3569 -149974.6402 297.0733 -183990.9971 -149876.5877 296.7469 -87.8355 -53.3798 557799.6236 -3.8557 -3.8379 PRESSURE: 3995600 -132.763 -28.3989 93.5919 -28.3992 -67.4527 -76.4733 93.5917 -76.472 43.4793 GPRESSURE: 3995600 -83.2746 -15.7526 58.143 -22.2018 -63.7212 -39.5951 149.513 -47.9694 97.9097 PRESSAVG: 3995600 13.6666 25.3092 52.9714 25.3092 -2.92679 -8.57382 52.9714 -8.57378 -12.2221 GPRESSAVG: 3995600 13.808 26.0486 50.0854 23.814 -3.94567 -9.45704 53.8828 -7.86047 -11.2302 TIMING: 3995600 CPU: 11878.5, 0.0029532/step Wall: 11878.5, 0.0029532/step, 0.823944 hours remaining, 208.890625 MB of memory in use. ENERGY: 3995600 759.1485 2135.6217 1938.7013 108.5934 -206760.3780 18070.0851 0.0000 0.0000 33841.6286 -149906.5995 295.5474 -183748.2281 -149811.2033 297.1745 -52.2454 -16.3621 557833.7927 -0.4941 -0.4560 PRESSURE: 3995800 1.33046 -34.7265 -100.882 -34.7263 -82.3082 117.647 -100.884 117.647 -144.904 GPRESSURE: 3995800 33.0852 -27.2566 -106.148 -80.3765 -119.646 116.261 -43.8397 64.4933 -61.1895 PRESSAVG: 3995800 19.8153 -10.3085 -40.737 -10.3085 -18.6168 10.0823 -40.737 10.0823 -18.0767 GPRESSAVG: 3995800 19.0515 -12.9051 -38.8404 -8.95608 -18.4981 9.30874 -40.4207 11.9301 -17.9395 TIMING: 3995800 CPU: 11879.1, 0.00293041/step Wall: 11879.1, 0.00293041/step, 0.817421 hours remaining, 208.890625 MB of memory in use. ENERGY: 3995800 711.3871 2093.1608 1947.3593 108.3946 -206373.2710 17775.5884 0.0000 0.0000 33855.5426 -149881.8382 295.6689 -183737.3808 -149781.6973 297.1724 -75.2939 -49.2502 557810.8766 -5.6260 -5.7954 PRESSURE: 3996000 135.196 18.3975 -27.0875 18.3979 -61.8903 65.7025 -27.0883 65.703 -127.563 GPRESSURE: 3996000 166.591 25.5843 -37.0847 -52.7602 32.4097 39.6088 -52.0657 131.445 -152.142 PRESSAVG: 3996000 45.16 37.6251 -30.0567 37.6252 36.3372 -6.99243 -30.0566 -6.99237 -87.1951 GPRESSAVG: 3996000 45.5843 40.1207 -31.3253 36.9138 36.9324 -4.80027 -29.4434 -7.23258 -87.9078 TIMING: 3996000 CPU: 11879.7, 0.00297729/step Wall: 11879.7, 0.00297729/step, 0.830332 hours remaining, 208.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3996000 783.6341 2057.2121 1926.3087 115.1715 -206852.8259 18190.0772 0.0000 0.0000 33992.4242 -149787.9981 296.8643 -183780.4223 -149693.3488 297.4110 -18.0858 15.6199 557042.1865 -1.8993 -1.7970 PRESSURE: 3996200 -291.354 147.708 73.135 147.707 -110.104 -22.8828 73.1342 -22.8811 53.7779 GPRESSURE: 3996200 -203.482 131.117 1.91473 169.645 -63.9082 -37.8275 125.694 14.0896 18.9005 PRESSAVG: 3996200 46.8427 10.5782 24.4666 10.5782 -35.2547 0.45844 24.4666 0.458401 -35.1983 GPRESSAVG: 3996200 47.0167 9.04418 24.2692 10.6454 -35.1692 -0.463057 24.1957 2.72295 -35.8326 TIMING: 3996200 CPU: 11880.3, 0.00296035/step Wall: 11880.3, 0.00296035/step, 0.825445 hours remaining, 208.890625 MB of memory in use. ENERGY: 3996200 753.6503 2139.1632 1928.1816 101.2854 -206431.3837 17680.5024 0.0000 0.0000 34174.4562 -149654.1446 298.4540 -183828.6009 -149556.6470 298.6741 -115.8936 -82.8298 556770.0028 -7.8701 -7.9951 LDB: ============= START OF LOAD BALANCING ============== 11883.8 LDB: ============== END OF LOAD BALANCING =============== 11883.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11883.8 LDB: ============= START OF LOAD BALANCING ============== 11884.1 LDB: Largest compute 4796 load 0.023470 is 19.8% of average load 0.118320 LDB: Average compute 0.001725 is 1.5% of average load 0.118320 LDB: TIME 11884.1 LOAD: AVG 0.11832 MAX 0.197825 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.785 MB LDB: TIME 11884.1 LOAD: AVG 0.11832 MAX 0.197825 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.785 MB LDB: TIME 11884.1 LOAD: AVG 0.11832 MAX 0.197825 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.785 MB LDB: ============== END OF LOAD BALANCING =============== 11884.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11884.1 PRESSURE: 3996400 -236.977 9.08539 146.547 9.08359 -40.557 -64.4372 146.547 -64.4362 -67.3602 GPRESSURE: 3996400 -203.837 -64.3635 105.49 23.2745 -51.0689 -20.1819 99.8227 -137.046 3.34169 PRESSAVG: 3996400 -18.4158 20.0903 -30.1643 20.0903 26.6725 -10.6357 -30.1643 -10.6357 6.32024 GPRESSAVG: 3996400 -19.7273 23.5654 -28.6016 19.1395 26.6961 -11.6276 -30.5725 -12.4619 7.09677 TIMING: 3996400 CPU: 11880.9, 0.00300901/step Wall: 11880.9, 0.00300901/step, 0.838846 hours remaining, 209.285156 MB of memory in use. ENERGY: 3996400 771.1373 2056.7577 1926.8355 110.8853 -206629.4412 17836.8111 0.0000 0.0000 34138.8869 -149788.1274 298.1434 -183927.0143 -149691.9562 297.7418 -114.9648 -83.8548 557308.6838 4.8590 4.6885 PRESSURE: 3996600 12.7792 50.7272 -58.1207 50.7274 100.647 -136.865 -58.1211 -136.866 -84.9778 GPRESSURE: 3996600 73.1678 121.638 -42.9455 -15.4062 104.476 -163.543 -60.8264 -104.601 -55.4622 PRESSAVG: 3996600 -23.4195 21.8291 9.14622 21.8291 52.1181 -27.2102 9.14611 -27.2102 -25.1478 GPRESSAVG: 3996600 -23.7546 19.7772 10.5788 21.7759 53.283 -27.5162 8.07317 -28.7784 -25.9723 TIMING: 3996600 CPU: 11881.5, 0.00297339/step Wall: 11881.5, 0.00297339/step, 0.828751 hours remaining, 209.484375 MB of memory in use. ENERGY: 3996600 737.0759 2067.1387 1902.1130 110.1030 -206272.2226 17830.8244 0.0000 0.0000 33987.0313 -149637.9364 296.8172 -183624.9677 -149541.6338 297.5238 9.4827 40.7273 558143.9891 1.1836 1.1853 PRESSURE: 3996800 118.319 0.184812 -101.935 0.184711 105.712 -119.24 -101.934 -119.241 105.837 GPRESSURE: 3996800 169.636 -26.4265 -90.176 5.20269 138.954 -68.4916 -85.5842 -137.62 126.383 PRESSAVG: 3996800 -41.7063 -17.2386 8.33196 -17.2384 23.8754 -42.146 8.33196 -42.1461 -18.1324 GPRESSAVG: 3996800 -39.8427 -18.7725 7.29915 -15.4048 22.2969 -41.0774 7.90722 -40.457 -17.9669 TIMING: 3996800 CPU: 11882.1, 0.00296941/step Wall: 11882.1, 0.00296941/step, 0.827475 hours remaining, 209.484375 MB of memory in use. ENERGY: 3996800 723.0600 2101.1799 1912.8122 114.0485 -206833.7488 18072.2961 0.0000 0.0000 34044.6976 -149865.6545 297.3208 -183910.3521 -149770.2848 297.5871 109.9561 144.9907 556934.3921 -11.9878 -11.8376 PRESSURE: 3997000 282.647 -30.2516 -193.777 -30.2518 -364.426 67.9116 -193.779 67.9122 -122.43 GPRESSURE: 3997000 256.339 -117.024 -246.891 21.3961 -268.433 109.938 -126.362 -18.033 -95.7121 PRESSAVG: 3997000 25.0942 -58.2406 -87.5627 -58.2406 -16.5856 -18.6884 -87.5628 -18.6884 27.0869 GPRESSAVG: 3997000 23.9056 -58.6116 -87.7374 -59.433 -15.3711 -16.8991 -85.7403 -21.8683 27.4325 TIMING: 3997000 CPU: 11882.6, 0.00292432/step Wall: 11882.6, 0.00292432/step, 0.814749 hours remaining, 209.484375 MB of memory in use. ENERGY: 3997000 675.5427 2034.7430 1925.0109 117.7966 -206451.6422 17745.1482 0.0000 0.0000 34126.8295 -149826.5714 298.0381 -183953.4009 -149729.8754 296.9973 -68.0698 -35.9352 557356.4481 11.8652 11.9890 PRESSURE: 3997200 -132.859 35.8814 58.5001 35.8805 -240.251 56.3929 58.5006 56.3937 -323.615 GPRESSURE: 3997200 -91.4093 -15.9352 -2.39229 99.2059 -205.816 3.05003 156.745 9.06994 -285.044 PRESSAVG: 3997200 29.0402 -41.9725 5.97078 -41.9724 10.8741 -9.62545 5.97079 -9.62542 -60.0075 GPRESSAVG: 3997200 28.772 -40.3163 4.35908 -40.2568 10.5465 -11.4876 7.29784 -7.56897 -59.5483 TIMING: 3997200 CPU: 11883.2, 0.00292694/step Wall: 11883.2, 0.00292694/step, 0.815317 hours remaining, 209.484375 MB of memory in use. ENERGY: 3997200 737.5408 2110.1209 1950.2717 123.1542 -206273.1567 17522.8571 0.0000 0.0000 34109.2529 -149719.9591 297.8846 -183829.2120 -149625.5689 298.2402 -232.2418 -194.0897 557863.0869 -6.6978 -6.7433 PRESSURE: 3997400 -412.897 -124.88 -13.5658 -124.879 -313.17 -165.915 -13.5651 -165.916 11.2315 GPRESSURE: 3997400 -333.989 -72.4673 -73.3108 -175.993 -249.935 -174.146 -31.8431 -143.965 -20.2129 PRESSAVG: 3997400 -6.29287 -6.09981 2.7958 -6.0998 1.69963 -65.5827 2.79568 -65.5827 -30.3966 GPRESSAVG: 3997400 -5.49113 -9.25316 1.77971 -5.92721 1.12613 -64.0314 1.92307 -64.9968 -30.3282 TIMING: 3997400 CPU: 11883.8, 0.00295708/step Wall: 11883.8, 0.00295708/step, 0.823546 hours remaining, 209.484375 MB of memory in use. ENERGY: 3997400 758.6773 2045.3103 1944.1583 115.0727 -206538.8308 17572.0249 0.0000 0.0000 34312.4424 -149791.1449 299.6591 -184103.5873 -149692.2320 297.7979 -238.2785 -201.3789 556717.2421 -11.6633 -11.5644 PRESSURE: 3997600 -112.607 -37.0591 83.2458 -37.0586 -26.289 102.734 83.2461 102.733 91.906 GPRESSURE: 3997600 -10.8901 86.3751 82.9966 -133.019 -13.444 44.1104 135.783 78.0641 74.8714 PRESSAVG: 3997600 19.3271 -15.2722 46.3114 -15.2722 -17.7989 -10.6822 46.3114 -10.6822 37.074 GPRESSAVG: 3997600 19.1316 -12.6261 49.8187 -17.4606 -16.645 -10.8433 42.4282 -12.0498 36.1327 TIMING: 3997600 CPU: 11884.4, 0.00293053/step Wall: 11884.4, 0.00293053/step, 0.815989 hours remaining, 209.484375 MB of memory in use. ENERGY: 3997600 737.2348 2057.7324 1926.2442 110.8504 -206799.3860 17961.0348 0.0000 0.0000 34287.2289 -149719.0605 299.4389 -184006.2894 -149615.4961 299.0369 -15.6633 16.8458 557346.3078 12.8674 12.8731 PRESSURE: 3997800 -218.342 69.5712 -44.4818 69.57 -193.588 50.5806 -44.4825 50.5804 -68.6554 GPRESSURE: 3997800 -222.629 6.38165 -59.6116 59.1625 -106.563 -31.5563 55.7057 5.44084 -57.9194 PRESSAVG: 3997800 31.0135 -4.25235 -45.8988 -4.25236 -54.1583 -10.0024 -45.899 -10.0026 -8.93402 GPRESSAVG: 3997800 31.6601 -4.10753 -49.4549 -3.2855 -54.5898 -11.4612 -40.744 -8.9547 -8.8017 TIMING: 3997800 CPU: 11885, 0.0029357/step Wall: 11885, 0.0029357/step, 0.817267 hours remaining, 209.484375 MB of memory in use. ENERGY: 3997800 747.4640 2147.2942 1956.7175 109.8117 -206475.4429 17720.9893 0.0000 0.0000 34246.4600 -149546.7062 299.0829 -183793.1662 -149451.8179 298.3010 -160.1952 -129.0372 558060.6675 -10.6929 -10.5772 PRESSURE: 3998000 -71.1546 173.58 64.4249 173.58 68.3858 31.7893 64.4244 31.7891 -18.8258 GPRESSURE: 3998000 -1.85431 201.595 -24.835 173.146 72.7465 3.31459 132.97 24.4686 6.82376 PRESSAVG: 3998000 -9.38405 68.1014 12.1877 68.1015 -9.1142 -6.38644 12.1876 -6.38641 17.8159 GPRESSAVG: 3998000 -8.61175 66.211 14.99 67.6189 -10.1996 -7.42631 9.13519 -4.34836 18.2644 TIMING: 3998000 CPU: 11885.6, 0.00294938/step Wall: 11885.6, 0.00294938/step, 0.820911 hours remaining, 209.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3998000 725.5037 2035.8303 1922.5612 118.5366 -206480.9559 17861.4377 0.0000 0.0000 34322.3611 -149494.7253 299.7457 -183817.0864 -149398.3750 298.8362 -7.1982 25.9053 557823.1521 -0.2275 -0.1823 PRESSURE: 3998200 -130.152 82.1044 -47.2893 82.1038 139.326 124.036 -47.2907 124.036 -7.9919 GPRESSURE: 3998200 -91.722 100.834 -12.1595 95.6857 177.832 8.7694 -60.6403 218.945 12.5013 PRESSAVG: 3998200 24.6592 30.8658 -74.5193 30.8659 -49.8174 -39.1145 -74.5192 -39.1146 35.7716 GPRESSAVG: 3998200 22.7811 30.7504 -74.1873 30.6298 -48.2345 -37.9378 -74.6611 -39.7106 36.0382 TIMING: 3998200 CPU: 11886.2, 0.00295382/step Wall: 11886.2, 0.00295382/step, 0.821982 hours remaining, 209.484375 MB of memory in use. ENERGY: 3998200 757.8166 2064.4718 1935.5792 116.3181 -206745.0222 17985.9347 0.0000 0.0000 34318.1659 -149566.7360 299.7091 -183884.9019 -149464.3243 299.5531 0.3940 32.8704 558233.5067 3.5378 3.5283 PRESSURE: 3998400 90.9781 -49.5958 -23.7416 -49.5951 -170.238 -90.42 -23.7415 -90.4197 -29.3836 GPRESSURE: 3998400 86.2237 -48.4782 -34.2814 2.42622 -75.2118 -34.8272 23.2189 -186.176 -17.1247 PRESSAVG: 3998400 17.8334 52.8961 -55.8142 52.896 -3.61058 38.5397 -55.8142 38.5398 -17.0224 GPRESSAVG: 3998400 18.0516 53.6647 -56.5086 53.2608 -3.34056 36.079 -55.2192 39.0163 -17.6179 TIMING: 3998400 CPU: 11886.8, 0.00295357/step Wall: 11886.8, 0.00295357/step, 0.821748 hours remaining, 209.484375 MB of memory in use. ENERGY: 3998400 741.0155 2129.1873 1965.3531 118.5158 -206290.9395 17815.1768 0.0000 0.0000 34099.5434 -149422.1475 297.7998 -183521.6909 -149324.2985 298.6519 -36.2146 -2.0376 558716.3180 -0.9332 -0.9689 PRESSURE: 3998600 -106.714 43.7584 -193.315 43.7596 149.268 -20.1223 -193.313 -20.1227 56.1015 GPRESSURE: 3998600 -52.9312 38.5174 -188.533 93.9544 199.033 0.664711 -140.673 -19.3181 44.2132 PRESSAVG: 3998600 47.2246 62.0158 -12.1459 62.0157 -41.7388 -3.87612 -12.1458 -3.87613 21.6273 GPRESSAVG: 3998600 47.4606 62.3701 -13.7244 61.7954 -42.426 -2.31448 -12.6499 -5.49858 22.199 TIMING: 3998600 CPU: 11887.4, 0.00297707/step Wall: 11887.4, 0.00297707/step, 0.828123 hours remaining, 209.484375 MB of memory in use. ENERGY: 3998600 742.8634 2144.5111 1987.6931 111.1158 -206368.5029 17755.9826 0.0000 0.0000 34430.1161 -149196.2208 300.6868 -183626.3368 -149101.6589 299.4899 32.8854 63.4382 556673.8642 9.0377 9.0779 PRESSURE: 3998800 46.0951 -195.453 81.4472 -195.453 -54.1283 80.1458 81.4477 80.1468 100.045 GPRESSURE: 3998800 7.16728 -215.292 60.8414 -243.168 51.2792 80.3882 97.8336 43.6713 126.469 PRESSAVG: 3998800 -32.9 27.8604 1.77088 27.8604 -14.3847 -26.022 1.77079 -26.0221 75.2644 GPRESSAVG: 3998800 -33.883 28.9506 3.70844 28.858 -13.7011 -26.575 2.1539 -25.197 75.57 TIMING: 3998800 CPU: 11887.9, 0.00298007/step Wall: 11887.9, 0.00298007/step, 0.828792 hours remaining, 209.484375 MB of memory in use. ENERGY: 3998800 771.5549 2091.9676 1945.4051 115.7222 -206170.2872 17757.3069 0.0000 0.0000 34296.5840 -149191.7465 299.5206 -183488.3305 -149104.9201 299.5391 30.6705 61.6386 555716.2269 9.3266 9.3286 PRESSURE: 3999000 -277.532 59.7448 17.5977 59.7447 21.2375 84.1653 17.597 84.1656 -390.376 GPRESSURE: 3999000 -185.22 -19.7408 2.79108 8.35988 1.07592 26.5218 25.3719 62.7253 -374.548 PRESSAVG: 3999000 37.0186 -41.4486 -21.3778 -41.4487 -12.374 1.22166 -21.3778 1.22165 4.61836 GPRESSAVG: 3999000 37.4214 -44.1113 -20.9919 -41.9623 -12.2667 1.69748 -21.8106 0.209638 3.71489 TIMING: 3999000 CPU: 11888.5, 0.00294481/step Wall: 11888.5, 0.00294481/step, 0.81882 hours remaining, 209.484375 MB of memory in use. ENERGY: 3999000 753.6517 2076.5077 1952.3554 104.5403 -205725.6938 17463.5108 0.0000 0.0000 34304.5990 -149070.5288 299.5906 -183375.1279 -148978.9068 299.1907 -215.5569 -186.2306 558098.5824 9.7543 9.6232 PRESSURE: 3999200 145.475 -21.8525 -70.0751 -21.8517 136.38 -48.5129 -70.0749 -48.5137 221.863 GPRESSURE: 3999200 157.188 71.9385 -108.28 -59.8949 151.282 -84.7705 -24.3917 -70.3691 299.488 PRESSAVG: 3999200 52.0458 23.6186 34.1786 23.6187 -2.93204 -43.6221 34.1787 -43.6221 -55.6933 GPRESSAVG: 3999200 52.9245 26.994 31.709 21.3631 -4.09996 -44.6658 35.4858 -39.8922 -55.5709 TIMING: 3999200 CPU: 11889.1, 0.002947/step Wall: 11889.1, 0.002947/step, 0.819266 hours remaining, 209.484375 MB of memory in use. ENERGY: 3999200 694.8346 2072.2704 1957.5384 115.8793 -206287.1454 17963.1078 0.0000 0.0000 34297.9064 -149185.6084 299.5321 -183483.5148 -149095.5528 299.6543 167.9058 202.6527 557004.9559 -2.1932 -2.2488 PRESSURE: 3999400 -151.205 137.473 48.0012 137.472 -161.821 133.557 48.0031 133.556 -98.3354 GPRESSURE: 3999400 -64.9838 129.997 53.7135 91.7985 -133.01 128.885 17.5319 142.115 -116.976 PRESSAVG: 3999400 52.7386 5.19739 51.1715 5.19742 -2.61564 39.1572 51.1715 39.1571 -54.3262 GPRESSAVG: 3999400 52.4347 4.85353 51.0002 6.54334 -1.6916 39.945 51.5379 36.8285 -54.9478 TIMING: 3999400 CPU: 11889.7, 0.00296766/step Wall: 11889.7, 0.00296766/step, 0.824845 hours remaining, 209.484375 MB of memory in use. ENERGY: 3999400 784.6480 2073.1574 1948.1398 108.8804 -205905.1289 17730.8896 0.0000 0.0000 34214.0227 -149045.3910 298.7996 -183259.4138 -148952.3748 299.7141 -137.1207 -104.9899 559345.5419 -1.4011 -1.4016 PRESSURE: 3999600 -199.141 -46.8234 -61.2499 -46.8236 58.8131 -93.7387 -61.2498 -93.7371 -20.3637 GPRESSURE: 3999600 -91.5285 -110.433 -130.468 5.99136 72.6608 -134.029 50.3273 -69.6516 -33.7295 PRESSAVG: 3999600 1.86012 -3.72252 -25.682 -3.72248 6.62647 30.8367 -25.682 30.8367 -29.2621 GPRESSAVG: 3999600 0.610658 -3.69912 -24.2186 -3.27429 7.27207 31.1104 -26.5461 30.5985 -28.4347 TIMING: 3999600 CPU: 11890.3, 0.00295956/step Wall: 11890.3, 0.00295956/step, 0.822429 hours remaining, 209.484375 MB of memory in use. ENERGY: 3999600 750.8908 2011.3413 1956.9804 123.9562 -206028.8991 17807.6903 0.0000 0.0000 34183.4107 -149194.6294 298.5322 -183378.0401 -149093.9347 299.3162 -53.5638 -17.5324 558399.1649 -6.9252 -6.8506 PRESSURE: 3999800 -342.182 29.7333 -59.3969 29.733 -218.71 30.3141 -59.399 30.3142 0.472051 GPRESSURE: 3999800 -318.662 -44.1558 -10.8547 45.6808 -166.819 26.8731 -96.9187 7.2412 14.9377 PRESSAVG: 3999800 -64.5767 12.3653 -32.4524 12.3654 10.7848 -26.2753 -32.4523 -26.2753 19.1847 GPRESSAVG: 3999800 -64.892 11.7177 -33.6372 13.061 10.1353 -26.4039 -33.1138 -26.2347 19.3538 TIMING: 3999800 CPU: 11890.9, 0.00294074/step Wall: 11890.9, 0.00294074/step, 0.817034 hours remaining, 209.484375 MB of memory in use. ENERGY: 3999800 765.9128 2035.3566 1932.2283 116.1938 -206023.3568 17684.1606 0.0000 0.0000 34273.7982 -149215.7066 299.3216 -183489.5047 -149117.9071 299.1455 -186.8064 -156.8476 560050.0519 -11.5357 -11.8010 PRESSURE: 4000000 280.827 227.927 -2.55072 227.927 145.226 -84.2941 -2.5502 -84.2936 206.014 GPRESSURE: 4000000 309.449 284.905 30.9514 188.618 232.115 -23.4437 113.953 -150.267 188.737 PRESSAVG: 4000000 -75.3133 -5.63683 -18.7625 -5.6369 73.2503 47.0603 -18.7625 47.0605 28.3757 GPRESSAVG: 4000000 -74.2533 -6.2251 -17.515 -6.1137 73.2042 47.4371 -16.8341 44.5337 27.8415 TIMING: 4000000 CPU: 11891.5, 0.0029914/step Wall: 11891.5, 0.0029914/step, 0.830944 hours remaining, 209.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4000000 711.3876 2071.5774 1954.9427 112.5486 -206415.4355 18035.9006 0.0000 0.0000 34291.1627 -149237.9159 299.4733 -183529.0786 -149148.3339 298.9424 210.6892 243.4336 557112.5876 8.7709 8.9308 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4000000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 4000000 WRITING COORDINATES TO RESTART FILE AT STEP 4000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4000200 -128.683 50.5104 -35.4154 50.5107 -17.1589 29.844 -35.4139 29.8448 -227.984 GPRESSURE: 4000200 -145.428 58.2039 -56.8914 28.4701 74.8458 12.3576 0.223852 79.1918 -194.585 PRESSAVG: 4000200 -25.4227 -3.11086 -66.337 -3.11086 50.9375 9.6872 -66.3369 9.68715 -39.3223 GPRESSAVG: 4000200 -25.5304 -2.9445 -68.0623 -3.59711 50.8659 9.10088 -68.7475 11.9167 -39.4517 TIMING: 4000200 CPU: 11892.1, 0.0030622/step Wall: 11892.1, 0.0030622/step, 0.850442 hours remaining, 209.484375 MB of memory in use. ENERGY: 4000200 757.4120 2059.0421 1927.6876 106.3847 -206053.9843 17756.4858 0.0000 0.0000 34231.0105 -149215.9617 298.9479 -183446.9722 -149115.9351 298.8279 -124.6088 -88.3888 557545.8625 -4.6025 -4.7054 LDB: ============= START OF LOAD BALANCING ============== 11895.7 LDB: ============== END OF LOAD BALANCING =============== 11895.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11895.7 LDB: ============= START OF LOAD BALANCING ============== 11896 LDB: Largest compute 4809 load 0.021840 is 18.5% of average load 0.118333 LDB: Average compute 0.001733 is 1.5% of average load 0.118333 LDB: TIME 11896 LOAD: AVG 0.118333 MAX 0.198159 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.234 MB LDB: TIME 11896 LOAD: AVG 0.118333 MAX 0.198159 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.234 MB LDB: TIME 11896 LOAD: AVG 0.118333 MAX 0.198159 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.234 MB LDB: ============== END OF LOAD BALANCING =============== 11896 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11896 PRESSURE: 4000400 45.1032 -110.579 -111.172 -110.58 -302.507 115.227 -111.171 115.227 -148.811 GPRESSURE: 4000400 12.0504 -67.9501 -85.8221 -131.728 -225.47 101.01 -146.926 86.031 -99.834 PRESSAVG: 4000400 -6.30137 -34.1624 -7.01022 -34.1624 18.1576 -5.37572 -7.01018 -5.37568 -15.0485 GPRESSAVG: 4000400 -6.02738 -34.8217 -6.344 -32.9075 17.3166 -5.51072 -6.85322 -4.72355 -14.439 TIMING: 4000400 CPU: 11892.7, 0.00301464/step Wall: 11892.7, 0.00301464/step, 0.837066 hours remaining, 207.000000 MB of memory in use. ENERGY: 4000400 745.1237 2110.4528 1942.3384 107.9232 -205642.4879 17387.1397 0.0000 0.0000 34046.0232 -149303.4870 297.3324 -183349.5102 -149207.2731 299.4708 -135.4049 -104.4179 557394.4022 -1.0641 -1.0499 PRESSURE: 4000600 493.452 99.2337 105.402 99.2343 -14.223 68.3205 105.401 68.3209 49.4949 GPRESSURE: 4000600 398.474 48.874 125.585 90.2475 142.111 -74.1458 54.7361 147.166 91.6556 PRESSAVG: 4000600 55.5877 -4.23726 0.102232 -4.23721 30.1405 -5.21089 0.102239 -5.21085 -78.2891 GPRESSAVG: 4000600 54.3976 -4.68797 0.555321 -3.99647 31.3869 -6.06858 0.722969 -5.71854 -78.7348 TIMING: 4000600 CPU: 11893.3, 0.00296271/step Wall: 11893.3, 0.00296271/step, 0.82248 hours remaining, 207.312500 MB of memory in use. ENERGY: 4000600 744.9442 2105.7491 1917.8535 110.5883 -206772.3985 18091.1806 0.0000 0.0000 34579.7995 -149222.2834 301.9940 -183802.0828 -149124.4660 299.7929 176.2412 210.7469 555381.4084 2.4797 2.3499 PRESSURE: 4000800 -116.976 28.0215 -44.4001 28.0217 -273.678 -74.6747 -44.4002 -74.6733 -310.662 GPRESSURE: 4000800 -63.0965 74.5392 24.5077 14.8564 -229.151 54.1113 -14.027 -42.4939 -308.886 PRESSAVG: 4000800 22.6628 -26.9564 34.4706 -26.9564 13.5615 -26.2202 34.4707 -26.2203 35.9929 GPRESSAVG: 4000800 22.8694 -25.4126 34.4611 -27.7636 13.0352 -24.7858 33.2406 -25.7539 36.9543 TIMING: 4000800 CPU: 11893.9, 0.00295999/step Wall: 11893.9, 0.00295999/step, 0.821562 hours remaining, 207.312500 MB of memory in use. ENERGY: 4000800 776.8105 2109.9735 1942.2979 108.3777 -205772.7809 17529.6472 0.0000 0.0000 34117.1640 -149188.5101 297.9537 -183305.6741 -149093.8168 298.9604 -233.7720 -200.3778 557203.8963 24.0724 24.2863 PRESSURE: 4001000 17.0116 27.9388 -14.5734 27.9395 -107.749 51.7247 -14.5739 51.7243 100.598 GPRESSURE: 4001000 48.9775 96.2379 -19.931 -1.74768 -53.9534 47.6476 -48.8221 42.6756 116.897 PRESSAVG: 4001000 -8.93324 -14.0793 4.83405 -14.0792 -30.8553 33.4065 4.83412 33.4065 72.5041 GPRESSAVG: 4001000 -8.45062 -15.4407 5.06941 -14.145 -30.1642 35.2934 4.74773 30.7628 71.8912 TIMING: 4001000 CPU: 11894.5, 0.00296511/step Wall: 11894.5, 0.00296511/step, 0.822819 hours remaining, 207.312500 MB of memory in use. ENERGY: 4001000 739.0139 2116.2898 1943.7093 120.4527 -206339.9880 17946.6892 0.0000 0.0000 34146.4419 -149327.3913 298.2094 -183473.8332 -149228.2378 299.1034 3.2869 37.3071 557190.3431 10.9052 11.0921 PRESSURE: 4001200 18.5531 171.859 71.3414 171.858 -14.6455 -49.1598 71.3415 -49.1604 -149.657 GPRESSURE: 4001200 104.333 157.101 50.491 175.231 -17.3218 4.23328 118.909 -122.924 -130.594 PRESSAVG: 4001200 32.9679 -33.4652 8.0624 -33.4653 -46.3281 -20.954 8.06242 -20.954 32.9904 GPRESSAVG: 4001200 33.6339 -32.1456 8.49675 -33.9802 -47.6447 -20.079 10.2356 -20.0343 33.6244 TIMING: 4001200 CPU: 11895.1, 0.0029286/step Wall: 11895.1, 0.0029286/step, 0.812524 hours remaining, 207.312500 MB of memory in use. ENERGY: 4001200 777.7796 2073.2749 1926.8321 109.9340 -205892.3187 17587.8980 0.0000 0.0000 34288.2305 -149128.3695 299.4476 -183416.6000 -149020.7446 299.2873 -48.5832 -14.5278 556448.4684 6.5434 6.5379 PRESSURE: 4001400 -369.498 7.0687 -31.3772 7.06934 60.8029 46.7819 -31.3777 46.7828 -237.426 GPRESSURE: 4001400 -369.881 4.19948 -68.8744 48.9955 70.6093 -2.26992 -17.3311 78.2036 -140.701 PRESSAVG: 4001400 -15.431 39.7466 -47.3872 39.7467 4.52637 -31.4759 -47.3872 -31.4759 16.523 GPRESSAVG: 4001400 -15.7101 38.4118 -47.4674 40.3789 4.90428 -35.4713 -47.5305 -28.6013 16.0177 TIMING: 4001400 CPU: 11895.7, 0.00292562/step Wall: 11895.7, 0.00292562/step, 0.811534 hours remaining, 207.312500 MB of memory in use. ENERGY: 4001400 771.1742 2099.3326 1919.9145 114.2688 -205854.2150 17470.0530 0.0000 0.0000 34193.3409 -149286.1311 298.6190 -183479.4719 -149185.3017 299.3592 -182.0403 -146.6575 556839.8281 1.8728 1.7373 PRESSURE: 4001600 -304.538 174.828 -113.231 174.827 -4.1468 91.1807 -113.231 91.1812 -96.9969 GPRESSURE: 4001600 -271.2 194.269 -67.0366 194.948 4.52974 45.65 -128.989 98.286 -19.7573 PRESSAVG: 4001600 55.9367 -1.83193 22.1877 -1.83201 16.2036 -0.918046 22.1878 -0.918132 -35.6551 GPRESSAVG: 4001600 56.5248 -0.0486673 21.9375 -3.13999 16.4447 0.0668863 20.3677 -3.25006 -36.5884 TIMING: 4001600 CPU: 11896.3, 0.00293369/step Wall: 11896.3, 0.00293369/step, 0.813611 hours remaining, 207.312500 MB of memory in use. ENERGY: 4001600 726.0977 2096.4932 1956.0039 117.9675 -206180.9067 17510.2076 0.0000 0.0000 34488.9727 -149285.1642 301.2008 -183774.1369 -149192.0088 299.0629 -135.2274 -95.4758 556658.1557 12.1617 12.1271 PRESSURE: 4001800 132.055 8.34455 81.4422 8.34353 31.7277 -18.475 81.4428 -18.4739 87.4797 GPRESSURE: 4001800 139.624 16.3029 89.5891 13.5636 68.242 -93.4861 125.077 -4.62946 126.203 PRESSAVG: 4001800 -18.2504 6.7349 -49.2542 6.73486 30.4719 -10.4531 -49.2542 -10.4529 32.5066 GPRESSAVG: 4001800 -17.9113 4.58263 -47.7026 7.47738 29.5617 -8.932 -49.2264 -9.41222 32.8306 TIMING: 4001800 CPU: 11896.8, 0.00293133/step Wall: 11896.8, 0.00293132/step, 0.812791 hours remaining, 207.312500 MB of memory in use. ENERGY: 4001800 747.5725 2120.7976 1932.4343 116.7647 -206519.5609 17947.7868 0.0000 0.0000 34358.0190 -149296.1861 300.0571 -183654.2051 -149193.4090 299.6763 83.7541 111.3566 555524.8638 14.9094 14.8270 PRESSURE: 4002000 6.23969 21.7762 -134.363 21.7762 -197.294 40.044 -134.362 40.0434 -94.0529 GPRESSURE: 4002000 45.176 -6.41088 -272.695 80.9548 -175.447 -16.481 -71.698 62.3838 -39.7374 PRESSAVG: 4002000 -39.6719 77.7054 14.7373 77.7053 58.2903 3.23653 14.7374 3.2365 -21.6796 GPRESSAVG: 4002000 -40.5847 78.3055 13.1854 77.3144 59.5382 2.13182 15.5808 2.25889 -21.8974 TIMING: 4002000 CPU: 11897.4, 0.00292899/step Wall: 11897.4, 0.00292899/step, 0.811981 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4002000 732.4569 2084.6118 1916.4934 132.3496 -206184.2972 17707.1728 0.0000 0.0000 34315.0770 -149296.1357 299.6821 -183611.2127 -149195.5631 298.8508 -95.0357 -56.6695 558804.0172 -1.0204 -0.9813 PRESSURE: 4002200 190.636 18.183 150.629 18.1834 151.466 5.8106 150.629 5.8119 29.677 GPRESSURE: 4002200 188.645 71.3474 139.971 -6.16656 181.225 18.3726 66.4091 -3.48717 97.6596 PRESSAVG: 4002200 7.13299 9.96566 27.4995 9.96564 -27.0241 36.4437 27.4994 36.4437 10.2666 GPRESSAVG: 4002200 5.78859 10.3317 25.9827 11.0511 -26.7872 35.7061 28.243 37.8183 11.8095 TIMING: 4002200 CPU: 11898, 0.00293878/step Wall: 11898, 0.00293878/step, 0.814533 hours remaining, 207.312500 MB of memory in use. ENERGY: 4002200 743.3902 2100.9996 1891.8173 102.3262 -206237.3159 18011.3640 0.0000 0.0000 34078.1580 -149309.2605 297.6130 -183387.4185 -149210.4042 298.8251 123.9263 155.8432 558561.1966 -3.2082 -3.0630 PRESSURE: 4002400 322.515 -46.9711 -18.9553 -46.9715 58.7837 81.6239 -18.9542 81.6245 -4.97795 GPRESSURE: 4002400 350.054 95.1428 -66.2627 -94.8108 52.4213 39.6735 -35.7529 89.1038 80.4091 PRESSAVG: 4002400 0.233532 75.1335 -62.4757 75.1334 17.7739 -5.80869 -62.4755 -5.80875 1.05289 GPRESSAVG: 4002400 0.344359 76.0976 -62.3448 73.4093 18.1624 -6.20654 -63.2676 -7.12703 0.262226 TIMING: 4002400 CPU: 11898.6, 0.00293687/step Wall: 11898.6, 0.00293687/step, 0.813839 hours remaining, 207.312500 MB of memory in use. ENERGY: 4002400 760.4129 2023.0258 1936.2757 112.6522 -205989.1015 17980.5899 0.0000 0.0000 33918.7086 -149257.4364 296.2205 -183176.1450 -149165.3201 298.9898 125.4403 160.9616 558043.0276 6.3535 6.2563 PRESSURE: 4002600 -230.385 119.402 -40.0993 119.403 -248.066 -25.7041 -40.0994 -25.7052 -113.299 GPRESSURE: 4002600 -175.636 114.502 -40.3718 31.1366 -200.634 -66.0234 27.0504 44.496 -112.02 PRESSAVG: 4002600 21.0763 -12.0061 -31.3489 -12.0061 45.6416 51.7349 -31.3489 51.7349 -57.4096 GPRESSAVG: 4002600 22.5125 -11.2632 -30.927 -10.6679 44.5859 53.6327 -30.9325 50.0673 -57.666 TIMING: 4002600 CPU: 11899.2, 0.00293565/step Wall: 11899.2, 0.00293565/step, 0.813339 hours remaining, 207.312500 MB of memory in use. ENERGY: 4002600 767.8925 1998.3040 1956.1028 125.5341 -205864.3966 17521.2992 0.0000 0.0000 34352.9297 -149142.3344 300.0127 -183495.2641 -149047.2156 299.7988 -197.2499 -162.7633 559223.4985 3.1028 3.1442 PRESSURE: 4002800 -161.177 -28.8789 -64.1263 -28.8809 42.376 -47.2719 -64.1256 -47.2731 -112.188 GPRESSURE: 4002800 -101.33 -23.6534 -78.8765 -63.1059 44.8212 26.785 -93.9125 -126.793 -88.2617 PRESSAVG: 4002800 16.9662 -42.2005 -4.98722 -42.2006 -39.086 -20.4766 -4.98723 -20.4766 36.4795 GPRESSAVG: 4002800 17.2467 -43.4519 -4.55118 -43.9609 -39.6799 -19.0655 -6.51575 -20.1035 36.7651 TIMING: 4002800 CPU: 11899.8, 0.00292687/step Wall: 11899.8, 0.00292687/step, 0.810743 hours remaining, 207.312500 MB of memory in use. ENERGY: 4002800 758.8377 2066.3271 1919.7419 107.5736 -205958.5005 17668.5632 0.0000 0.0000 34273.5318 -149163.9253 299.3193 -183437.4571 -149073.4383 299.0855 -76.9961 -48.2568 556784.6672 4.7866 4.7773 PRESSURE: 4003000 18.624 -104.175 -32.189 -104.176 -36.9687 133.323 -32.1897 133.323 61.4487 GPRESSURE: 4003000 47.6029 -95.5215 -27.6901 -155.632 10.2386 170.421 3.03834 138.885 79.9903 PRESSAVG: 4003000 1.90987 0.518576 4.51099 0.518637 12.4944 37.4596 4.51096 37.4596 -58.7014 GPRESSAVG: 4003000 0.936445 1.19956 6.7351 3.29195 12.8086 34.9206 3.1774 38.1185 -58.2927 TIMING: 4003000 CPU: 11900.4, 0.00292639/step Wall: 11900.4, 0.00292639/step, 0.810447 hours remaining, 207.312500 MB of memory in use. ENERGY: 4003000 716.7290 2041.6881 1948.7856 105.4218 -206192.4847 17900.7294 0.0000 0.0000 34256.4505 -149222.6804 299.1701 -183479.1309 -149131.6819 298.8212 14.3680 45.9439 557815.4049 -14.7657 -14.8492 PRESSURE: 4003200 -95.6453 37.7825 76.03 37.7815 -217.433 -12.9265 76.0301 -12.9278 -277.033 GPRESSURE: 4003200 -63.1315 38.7805 118.845 44.2361 -232.455 7.55185 81.4613 -50.7765 -204.648 PRESSAVG: 4003200 22.4992 38.102 -11.0404 38.1021 16.3797 12.5524 -11.0406 12.5523 18.1982 GPRESSAVG: 4003200 23.7678 37.1655 -12.1124 35.585 16.042 12.045 -10.465 13.2035 17.7251 TIMING: 4003200 CPU: 11900.9, 0.00291733/step Wall: 11900.9, 0.00291732/step, 0.807775 hours remaining, 207.312500 MB of memory in use. ENERGY: 4003200 758.5556 2073.4578 1941.7890 104.4355 -205569.2084 17515.8598 0.0000 0.0000 34040.1836 -149134.9270 297.2814 -183175.1106 -149038.5931 299.5739 -196.7038 -166.7449 558922.0722 19.0257 19.1783 PRESSURE: 4003400 -40.0198 -7.9426 -44.9367 -7.94298 -129.826 -77.3472 -44.9362 -77.3474 -55.1911 GPRESSURE: 4003400 -10.8776 -22.3413 46.7476 15.7201 -127.789 -65.5857 -17.3815 -20.98 9.28969 PRESSAVG: 4003400 56.4389 28.1615 -51.5275 28.1614 -54.5752 25.8067 -51.5276 25.8068 -17.9825 GPRESSAVG: 4003400 55.277 29.0123 -52.4076 28.3938 -53.1188 27.5064 -51.4234 24.7781 -17.9224 TIMING: 4003400 CPU: 11901.5, 0.00294814/step Wall: 11901.5, 0.00294814/step, 0.816142 hours remaining, 207.312500 MB of memory in use. ENERGY: 4003400 763.9166 2111.3636 1939.8197 107.5911 -205949.3134 17782.1616 0.0000 0.0000 34265.8599 -148978.6008 299.2523 -183244.4607 -148884.9294 299.5763 -75.0123 -43.1257 558798.6682 -5.3729 -5.2547 PRESSURE: 4003600 -114.589 28.9962 -52.6449 28.9984 -132.67 84.2904 -52.644 84.2905 79.3067 GPRESSURE: 4003600 -84.4814 48.7353 -11.9289 24.6317 -64.2921 80.1098 -75.9809 75.5871 84.2173 PRESSAVG: 4003600 80.7821 -62.605 -36.1165 -62.6049 -34.8386 82.9787 -36.1164 82.9787 8.54673 GPRESSAVG: 4003600 81.5828 -62.5348 -35.5716 -63.6222 -35.0305 81.73 -34.7401 82.2231 8.03705 TIMING: 4003600 CPU: 11902.1, 0.00292902/step Wall: 11902.1, 0.00292902/step, 0.810689 hours remaining, 207.312500 MB of memory in use. ENERGY: 4003600 748.2930 2001.4463 1941.4017 111.5939 -206049.3153 17819.3081 0.0000 0.0000 34291.1284 -149136.1439 299.4730 -183427.2723 -149038.8139 299.7364 -55.9841 -21.5187 559029.8038 18.1634 18.1964 PRESSURE: 4003800 59.2054 20.5171 -80.5445 20.5152 29.5547 10.1932 -80.5458 10.1935 -55.4127 GPRESSURE: 4003800 113.094 18.9584 -26.7916 6.44242 39.677 -0.506469 -74.8805 33.0194 -7.01532 PRESSAVG: 4003800 82.109 6.45614 59.9156 6.45611 17.0002 65.582 59.9156 65.5819 -86.2345 GPRESSAVG: 4003800 81.4153 6.64018 59.7317 7.37881 16.3166 66.5524 58.8287 66.5048 -85.5593 TIMING: 4003800 CPU: 11902.7, 0.00292456/step Wall: 11902.7, 0.00292456/step, 0.809292 hours remaining, 207.312500 MB of memory in use. ENERGY: 4003800 734.8785 2043.5390 1918.2726 113.0970 -206330.6351 18034.3230 0.0000 0.0000 34408.5344 -149077.9907 300.4983 -183486.5252 -148982.5802 299.5245 11.1158 48.5853 559121.2226 4.2916 4.0576 PRESSURE: 4004000 -126.924 -26.2227 100.1 -26.223 -141.666 134.99 100.099 134.992 86.0959 GPRESSURE: 4004000 -78.0454 -0.204483 -19.2797 7.66831 -111.369 128.601 136.645 155.662 94.6481 PRESSAVG: 4004000 17.8314 5.50679 15.4543 5.50684 -16.3212 -20.2988 15.4543 -20.2988 4.70314 GPRESSAVG: 4004000 17.6531 2.98002 14.1454 6.56104 -16.2248 -21.5783 14.6943 -18.9979 4.93669 TIMING: 4004000 CPU: 11903.3, 0.00294251/step Wall: 11903.3, 0.00294251/step, 0.814096 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4004000 763.5593 2065.9336 1935.2606 113.2018 -206111.0086 17683.0520 0.0000 0.0000 34173.2159 -149376.7853 298.4432 -183550.0013 -149278.7321 299.4807 -60.8312 -31.5886 557070.7796 2.0711 2.1216 PRESSURE: 4004200 176.266 207.947 60.7453 207.945 203.75 10.801 60.7446 10.8003 -159.448 GPRESSURE: 4004200 190.314 142.986 58.3286 197.515 227.251 28.319 20.8918 38.0316 -94.415 PRESSAVG: 4004200 3.99751 -19.2901 26.6267 -19.2902 19.1025 11.554 26.6267 11.554 -59.4644 GPRESSAVG: 4004200 4.10785 -16.0438 26.7095 -21.8838 19.1554 12.4646 28.2417 10.7285 -59.2623 TIMING: 4004200 CPU: 11903.9, 0.00293595/step Wall: 11903.9, 0.00293595/step, 0.812116 hours remaining, 207.312500 MB of memory in use. ENERGY: 4004200 742.9446 2098.0168 1939.8561 122.2900 -206645.1829 18117.4245 0.0000 0.0000 34219.4697 -149405.1814 298.8471 -183624.6511 -149311.9981 298.8244 73.5225 107.7166 558236.3548 -12.1215 -11.9997 LDB: ============= START OF LOAD BALANCING ============== 11907.4 LDB: ============== END OF LOAD BALANCING =============== 11907.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11907.4 LDB: ============= START OF LOAD BALANCING ============== 11907.7 LDB: Largest compute 4796 load 0.021854 is 18.5% of average load 0.118374 LDB: Average compute 0.001721 is 1.5% of average load 0.118374 LDB: TIME 11907.7 LOAD: AVG 0.118374 MAX 0.198981 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.207 MB LDB: TIME 11907.7 LOAD: AVG 0.118374 MAX 0.198981 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.406 MB LDB: TIME 11907.7 LOAD: AVG 0.118374 MAX 0.198981 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.406 MB LDB: ============== END OF LOAD BALANCING =============== 11907.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11907.7 PRESSURE: 4004400 28.8656 22.7548 31.4349 22.7534 227.478 -9.54308 31.4345 -9.54401 100.602 GPRESSURE: 4004400 98.0193 -38.4213 83.562 17.3534 220.782 -48.2213 -25.7235 39.9578 132.18 PRESSAVG: 4004400 -24.7731 -26.6106 -8.39206 -26.6105 59.2505 -11.2456 -8.39215 -11.2456 10.3568 GPRESSAVG: 4004400 -24.7271 -27.9275 -9.27449 -26.371 59.9741 -12.0404 -7.18197 -11.3767 9.70164 TIMING: 4004400 CPU: 11904.5, 0.00299112/step Wall: 11904.5, 0.00299112/step, 0.82721 hours remaining, 207.015625 MB of memory in use. ENERGY: 4004400 754.4556 2066.0936 1962.5772 123.2539 -206621.7410 18016.8710 0.0000 0.0000 34322.9441 -149375.5457 299.7508 -183698.4898 -149286.9320 299.1309 118.9817 150.3272 557131.9459 14.9447 14.9829 PRESSURE: 4004600 -209.109 -136.928 24.8971 -136.929 64.9405 -209.333 24.8981 -209.333 90.0242 GPRESSURE: 4004600 -125.887 -92.7555 -48.5566 -160.025 109.499 -284.686 17.7923 -177.075 76.1571 PRESSAVG: 4004600 -93.1414 -5.32569 7.1848 -5.32577 50.2563 -16.9185 7.1848 -16.9185 45.133 GPRESSAVG: 4004600 -91.5445 -3.20402 9.11997 -5.5704 48.8651 -16.5197 5.21485 -17.3072 44.2863 TIMING: 4004600 CPU: 11905.1, 0.00293085/step Wall: 11905.1, 0.00293085/step, 0.810381 hours remaining, 207.257812 MB of memory in use. ENERGY: 4004600 723.7306 2061.2113 1950.8939 127.8828 -206526.9562 17891.8173 0.0000 0.0000 34358.0743 -149413.3460 300.0576 -183771.4203 -149317.3469 299.1996 -18.0481 19.9232 558165.1133 0.7493 0.5357 PRESSURE: 4004800 97.586 -7.15895 -103.895 -7.15997 -379.525 7.27011 -103.894 7.27197 102.297 GPRESSURE: 4004800 104.262 -33.2686 3.37957 -28.9272 -279.407 20.4167 -100.482 -47.3337 92.0505 PRESSAVG: 4004800 12.7033 -21.7742 -28.4454 -21.7742 -4.61502 1.95488 -28.4455 1.95494 -14.554 GPRESSAVG: 4004800 11.0909 -23.2317 -28.0966 -21.1841 -4.21486 1.23875 -28.3369 2.50482 -13.5496 TIMING: 4004800 CPU: 11905.7, 0.00295609/step Wall: 11905.7, 0.00295609/step, 0.817194 hours remaining, 207.257812 MB of memory in use. ENERGY: 4004800 787.3819 2117.0045 1920.4199 107.9089 -206336.7465 17856.5681 0.0000 0.0000 34155.6444 -149391.8187 298.2897 -183547.4631 -149296.9968 299.5911 -59.8807 -27.6981 558179.8708 -2.1552 -2.2245 PRESSURE: 4005000 6.97794 -47.398 34.3848 -47.396 117.055 20.6139 34.3843 20.6136 6.62636 GPRESSURE: 4005000 46.9712 -35.4893 86.134 -69.5357 164.503 15.9895 23.5411 125.995 11.9711 PRESSAVG: 4005000 -4.76528 10.0087 -34.65 10.0088 -16.562 58.5708 -34.6501 58.5707 52.1508 GPRESSAVG: 4005000 -4.03556 9.36066 -33.6199 11.5775 -17.7073 60.1778 -36.936 58.5072 52.2574 TIMING: 4005000 CPU: 11906.2, 0.00295074/step Wall: 11906.2, 0.00295074/step, 0.815551 hours remaining, 207.257812 MB of memory in use. ENERGY: 4005000 744.6170 2052.8882 1928.0063 99.9791 -206821.3675 18137.1291 0.0000 0.0000 34256.4295 -149602.3182 299.1699 -183858.7477 -149511.4632 298.3680 43.5532 74.4819 559118.1274 10.2745 10.1715 PRESSURE: 4005200 -205.914 26.6967 111.326 26.697 183.929 61.8394 111.325 61.8393 216.479 GPRESSURE: 4005200 -164.623 31.4036 136.2 -5.36888 121.668 38.6313 111.061 1.41477 310.9 PRESSAVG: 4005200 23.9248 -39.369 50.281 -39.369 19.5019 66.0245 50.2809 66.0246 -0.253203 GPRESSAVG: 4005200 22.8318 -39.9927 49.4471 -39.9382 20.3345 66.2314 52.18 65.8673 -0.278367 TIMING: 4005200 CPU: 11906.8, 0.0029382/step Wall: 11906.8, 0.0029382/step, 0.811922 hours remaining, 207.257812 MB of memory in use. ENERGY: 4005200 737.5785 2056.4532 1955.0750 109.8674 -206835.9291 18015.6615 0.0000 0.0000 34317.3475 -149643.9460 299.7019 -183961.2935 -149546.0313 298.0296 64.8312 89.3150 558131.9180 14.3912 14.2960 PRESSURE: 4005400 6.72341 44.5769 51.641 44.5751 169.307 34.6348 51.6396 34.6351 196.669 GPRESSURE: 4005400 49.2501 -7.50851 -0.787069 2.14584 176.967 38.3032 38.824 38.8129 250.765 PRESSAVG: 4005400 -56.0181 10.2154 1.30639 10.2154 61.8991 -6.64586 1.30638 -6.64582 4.52191 GPRESSAVG: 4005400 -55.5364 11.7858 2.10594 8.47384 61.5568 -6.85075 3.23435 -8.17519 4.29514 TIMING: 4005400 CPU: 11907.4, 0.00293353/step Wall: 11907.4, 0.00293353/step, 0.810468 hours remaining, 207.257812 MB of memory in use. ENERGY: 4005400 724.8311 2035.3737 1934.3576 106.0147 -206278.6857 18064.7483 0.0000 0.0000 33970.7699 -149442.5904 296.6752 -183413.3603 -149354.9818 298.5203 124.2329 158.9940 558915.5172 3.4677 3.4385 PRESSURE: 4005600 -9.75 -21.1578 70.4486 -21.1579 -183.286 -51.5262 70.4484 -51.5249 -97.2252 GPRESSURE: 4005600 20.5431 -56.2702 2.24887 -16.9892 -87.5968 -16.4519 125.443 -125.104 -127.628 PRESSAVG: 4005600 -15.8968 -22.6115 34.1989 -22.6115 35.5282 22.0936 34.1988 22.0936 -0.131622 GPRESSAVG: 4005600 -15.1122 -24.1204 34.7642 -19.8951 36.0861 23.9605 33.2029 20.9189 -1.55924 TIMING: 4005600 CPU: 11908, 0.00294996/step Wall: 11908, 0.00294996/step, 0.814846 hours remaining, 207.257812 MB of memory in use. ENERGY: 4005600 750.2922 2156.3147 1915.4810 116.5233 -206436.8926 17805.7075 0.0000 0.0000 34306.3243 -149386.2496 299.6057 -183692.5739 -149291.3518 298.5170 -96.7539 -64.8940 559992.9502 6.4999 6.4715 PRESSURE: 4005800 -71.9547 -27.1869 149.536 -27.1877 -324.172 17.0826 149.535 17.0839 151.103 GPRESSURE: 4005800 -49.7694 27.5085 46.6232 -66.8014 -227.643 -7.08335 149.182 12.9166 135.482 PRESSAVG: 4005800 -36.9659 -29.7326 58.4687 -29.7325 -51.9793 -37.4868 58.4687 -37.4868 16.2596 GPRESSAVG: 4005800 -37.4357 -27.0634 55.8825 -31.1174 -51.215 -39.5109 58.6968 -34.4197 16.7612 TIMING: 4005800 CPU: 11908.6, 0.00297355/step Wall: 11908.6, 0.00297355/step, 0.821195 hours remaining, 207.257812 MB of memory in use. ENERGY: 4005800 735.5472 2068.6421 1944.9044 130.4966 -206273.5718 17733.8822 0.0000 0.0000 34202.8049 -149457.2943 298.7016 -183660.0992 -149360.7976 298.4851 -81.6745 -47.3103 556457.5464 -24.2286 -23.9631 PRESSURE: 4006000 -140.188 -63.8685 -90.7252 -63.8672 167.114 -32.8595 -90.7246 -32.859 -323.326 GPRESSURE: 4006000 -140.877 -57.1701 -81.655 -73.8131 221.091 8.19709 -9.31217 -77.2566 -282.036 PRESSAVG: 4006000 7.03555 35.8056 32.298 35.8055 -5.49098 -69.4996 32.2981 -69.4997 -2.00331 GPRESSAVG: 4006000 5.90418 33.5658 35.3588 37.6118 -5.88074 -69.7891 31.9789 -71.4746 -1.30419 TIMING: 4006000 CPU: 11909.2, 0.00296349/step Wall: 11909.2, 0.00296349/step, 0.818253 hours remaining, 207.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4006000 731.3064 2122.9258 1919.6289 117.9911 -206109.4132 17658.0389 0.0000 0.0000 34220.6133 -149338.9088 298.8571 -183559.5221 -149239.7618 298.5230 -98.7997 -67.2737 557598.6882 -0.1529 -0.4269 PRESSURE: 4006200 49.1163 -117.45 -12.4267 -117.451 45.0099 67.5737 -12.4268 67.5738 -41.0665 GPRESSURE: 4006200 92.3703 -102.959 -21.6265 -148.407 75.939 5.55231 -57.524 85.8742 -9.22135 PRESSAVG: 4006200 -41.9358 -28.0444 58.8933 -28.0443 2.53698 -0.614619 58.8934 -0.614558 63.1248 GPRESSAVG: 4006200 -40.6385 -26.3594 58.5929 -31.3378 1.99943 0.455726 59.3046 -0.0807021 62.4893 TIMING: 4006200 CPU: 11909.8, 0.00294012/step Wall: 11909.8, 0.00294012/step, 0.811637 hours remaining, 207.257812 MB of memory in use. ENERGY: 4006200 738.6643 2077.8557 1925.2547 114.3279 -206194.1501 17552.9985 0.0000 0.0000 34332.6576 -149452.3913 299.8356 -183785.0489 -149357.0986 299.1295 17.6866 53.0293 554810.7173 7.9086 7.9501 PRESSURE: 4006400 27.662 -86.2328 -133.773 -86.2333 66.1107 -32.0364 -133.774 -32.0389 208.093 GPRESSURE: 4006400 104.517 -172.2 -177.908 -60.5463 86.6743 26.395 -26.765 -66.5757 217.121 PRESSAVG: 4006400 48.0546 -20.0279 4.10225 -20.0278 -23.2847 32.2759 4.10228 32.2757 2.88838 GPRESSAVG: 4006400 46.8226 -21.5294 3.41127 -19.2521 -22.4188 31.8614 4.39023 32.6322 3.57939 TIMING: 4006400 CPU: 11910.4, 0.00295779/step Wall: 11910.4, 0.00295779/step, 0.816349 hours remaining, 207.257812 MB of memory in use. ENERGY: 4006400 739.9611 2056.4560 1936.5126 109.6590 -206250.5873 17749.7876 0.0000 0.0000 34250.6134 -149407.5976 299.1191 -183658.2110 -149315.6229 298.4423 100.6219 136.1041 555437.6764 9.2194 9.3277 PRESSURE: 4006600 -255.61 -100.71 63.0772 -100.71 -59.0358 41.4811 63.077 41.4823 -59.6802 GPRESSURE: 4006600 -192.896 -54.7576 0.152705 -61.4358 -20.5184 103.574 43.8685 -32.9438 -67.0843 PRESSAVG: 4006600 -54.1446 -34.8381 -6.91988 -34.8381 29.1681 10.7204 -6.91977 10.7203 6.07344 GPRESSAVG: 4006600 -54.0086 -33.6447 -7.01031 -32.7958 29.3468 11.6137 -9.57584 10.1445 5.18574 TIMING: 4006600 CPU: 11911, 0.00298171/step Wall: 11911, 0.00298171/step, 0.822787 hours remaining, 207.257812 MB of memory in use. ENERGY: 4006600 756.0387 2127.2197 1899.0282 107.4016 -205859.3054 17468.7890 0.0000 0.0000 34179.0285 -149321.7996 298.4940 -183500.8282 -149231.2966 298.8088 -124.7752 -93.4996 555873.8165 -6.3010 -6.4920 PRESSURE: 4006800 -146.541 -46.2186 -45.9523 -46.218 136.97 -268.487 -45.9526 -268.486 -160.336 GPRESSURE: 4006800 -97.5476 -62.1296 -50.7331 -30.7184 191.035 -241.728 -63.9435 -215.445 -155.722 PRESSAVG: 4006800 5.22741 -26.6469 1.35839 -26.647 0.595431 -36.2871 1.35838 -36.2872 6.25139 GPRESSAVG: 4006800 5.7485 -27.6334 -0.678722 -27.7055 0.685907 -36.5217 4.92601 -34.839 5.66151 TIMING: 4006800 CPU: 11911.6, 0.00296342/step Wall: 11911.6, 0.00296342/step, 0.817575 hours remaining, 207.257812 MB of memory in use. ENERGY: 4006800 734.0502 2037.6614 1926.5411 119.7315 -206225.3310 17752.4752 0.0000 0.0000 34285.5021 -149369.3695 299.4238 -183654.8716 -149276.2952 299.4696 -56.6356 -20.7450 556826.4808 4.0247 4.0320 PRESSURE: 4007000 -99.2311 45.4005 -154.087 45.3993 -77.4289 108.558 -154.087 108.558 10.5023 GPRESSURE: 4007000 -36.8159 -17.6369 -111.935 119.988 -75.7654 100.067 -153.148 113.999 53.8656 PRESSAVG: 4007000 37.372 -41.5211 23.4272 -41.521 -43.6768 -64.7369 23.4272 -64.7371 -5.25007 GPRESSAVG: 4007000 38.1101 -40.8146 27.1411 -41.4572 -44.1765 -66.4182 21.996 -62.5054 -5.934 TIMING: 4007000 CPU: 11912.2, 0.00296345/step Wall: 11912.2, 0.00296345/step, 0.817418 hours remaining, 207.257812 MB of memory in use. ENERGY: 4007000 755.7274 2068.9275 1924.7614 115.3182 -206131.5834 17803.9590 0.0000 0.0000 34190.6688 -149272.2211 298.5956 -183462.8899 -149180.6120 299.1182 -55.3859 -19.5719 557181.6193 -3.8516 -4.0001 PRESSURE: 4007200 138.747 134.219 -15.1176 134.218 -7.87285 110.85 -15.1159 110.851 -70.181 GPRESSURE: 4007200 159.857 121.86 -52.558 100.514 10.4127 21.2988 -31.9732 86.589 -14.8616 PRESSAVG: 4007200 76.9352 45.5079 38.0997 45.5078 -27.5986 -1.05317 38.0998 -1.05324 4.92016 GPRESSAVG: 4007200 75.7639 45.3568 37.3296 45.474 -27.4665 -2.22292 38.8968 -1.20351 5.99993 TIMING: 4007200 CPU: 11912.7, 0.00293986/step Wall: 11912.7, 0.00293986/step, 0.810748 hours remaining, 207.257812 MB of memory in use. ENERGY: 4007200 749.2068 2109.2261 1900.7500 118.2773 -206303.5040 17908.1051 0.0000 0.0000 34258.1444 -149259.7942 299.1849 -183517.9387 -149168.1386 299.6249 20.2311 51.8026 556373.5303 18.0856 18.0991 PRESSURE: 4007400 -41.5452 -52.8788 86.9466 -52.8784 -69.6152 -136.696 86.9472 -136.695 -181.657 GPRESSURE: 4007400 -1.7934 -30.2066 143.411 -98.7208 -36.2117 -185.582 47.6162 -110.183 -156.292 PRESSAVG: 4007400 35.355 11.0757 34.5959 11.0759 -13.1552 9.26195 34.5959 9.26204 12.967 GPRESSAVG: 4007400 35.1851 11.3986 33.9228 9.32363 -12.281 12.0128 32.9951 7.67858 12.867 TIMING: 4007400 CPU: 11913.3, 0.00293721/step Wall: 11913.3, 0.00293721/step, 0.809853 hours remaining, 207.257812 MB of memory in use. ENERGY: 4007400 765.8210 2077.2734 1926.8151 125.4807 -205964.0544 17558.2791 0.0000 0.0000 34244.8160 -149265.5691 299.0685 -183510.3851 -149172.0187 299.2385 -97.6059 -64.7656 557101.7498 11.7222 11.9237 PRESSURE: 4007600 77.4994 17.1224 35.7847 17.1232 -175.48 -15.2265 35.7846 -15.2272 111.305 GPRESSURE: 4007600 83.1594 90.9649 34.2596 -37.4851 -158.032 -14.0544 63.9895 -27.0633 187.901 PRESSAVG: 4007600 -57.4561 32.7151 32.9055 32.715 13.5783 29.5707 32.9055 29.5707 -1.65139 GPRESSAVG: 4007600 -57.3524 32.2877 34.04 33.6662 11.9298 30.2321 33.4735 27.3336 -0.255318 TIMING: 4007600 CPU: 11913.9, 0.00293034/step Wall: 11913.9, 0.00293034/step, 0.807798 hours remaining, 207.257812 MB of memory in use. ENERGY: 4007600 755.3157 2140.7004 1921.3331 101.1239 -206016.7312 17848.1368 0.0000 0.0000 34104.5407 -149145.5805 297.8434 -183250.1212 -149053.2666 299.0216 4.4414 37.6761 556638.1543 -15.1764 -15.2260 PRESSURE: 4007800 17.8888 -31.1687 117.187 -31.1683 -59.0622 -94.1768 117.188 -94.1764 55.2795 GPRESSURE: 4007800 49.4871 -105.77 111.773 35.0486 -30.1694 -12.74 72.4074 -25.3883 90.9583 PRESSAVG: 4007800 -13.4556 40.7647 23.2174 40.7645 33.6452 -4.67441 23.2174 -4.67431 9.47702 GPRESSAVG: 4007800 -13.5074 42.3699 20.8742 42.2629 34.3029 -5.14567 23.8933 -3.12115 8.34573 TIMING: 4007800 CPU: 11914.5, 0.00293996/step Wall: 11914.5, 0.00293996/step, 0.810286 hours remaining, 207.257812 MB of memory in use. ENERGY: 4007800 770.1329 2085.7253 1940.8043 113.5172 -206174.8348 17825.6375 0.0000 0.0000 34331.0478 -149107.9698 299.8216 -183439.0177 -149012.8182 299.1874 4.7020 36.7586 556727.8080 9.8889 9.7137 PRESSURE: 4008000 -92.5736 -74.4137 122.084 -74.4155 -94.886 -4.23848 122.084 -4.23826 -251.615 GPRESSURE: 4008000 -59.2328 -50.3409 129.679 -79.6626 -18.228 57.2143 17.757 -113.179 -259.775 PRESSAVG: 4008000 44.7136 25.327 50.969 25.327 31.8203 -45.5238 50.9689 -45.5237 -9.96598 GPRESSAVG: 4008000 45.6444 24.6122 54.0566 25.8486 32.6425 -45.7885 50.5798 -44.1739 -11.7274 TIMING: 4008000 CPU: 11915.1, 0.00293711/step Wall: 11915.1, 0.00293711/step, 0.809338 hours remaining, 207.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4008000 776.0448 2087.2907 1942.3864 111.8728 -206061.0370 17648.4527 0.0000 0.0000 34262.3380 -149232.6515 299.2215 -183494.9895 -149144.2453 300.2085 -146.3581 -112.4118 557880.2112 22.1893 22.1865 PRESSURE: 4008200 -13.5027 209.856 5.02377 209.857 -65.9827 16.6755 5.02349 16.6744 -40.7963 GPRESSURE: 4008200 -6.24493 168.222 66.9519 169.825 -32.1272 -97.6906 -28.4243 94.9213 -0.674363 PRESSAVG: 4008200 -34.9607 4.05589 -22.5515 4.05581 -48.8089 -18.7456 -22.5515 -18.7456 68.5587 GPRESSAVG: 4008200 -35.8803 3.20721 -24.8384 3.44972 -49.8921 -18.6958 -20.7364 -19.4459 70.4217 TIMING: 4008200 CPU: 11915.7, 0.00295856/step Wall: 11915.7, 0.00295856/step, 0.815084 hours remaining, 207.257812 MB of memory in use. ENERGY: 4008200 776.4600 2077.3078 1951.7604 117.2470 -206353.3519 17890.0411 0.0000 0.0000 34023.3608 -149517.1747 297.1345 -183540.5355 -149430.4948 298.9203 -40.0939 -13.0155 556846.6478 -5.0703 -5.1169 LDB: ============= START OF LOAD BALANCING ============== 11919.2 LDB: ============== END OF LOAD BALANCING =============== 11919.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11919.2 LDB: ============= START OF LOAD BALANCING ============== 11919.5 LDB: Largest compute 4809 load 0.021865 is 18.5% of average load 0.118303 LDB: Average compute 0.001730 is 1.5% of average load 0.118303 LDB: TIME 11919.5 LOAD: AVG 0.118303 MAX 0.197532 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.559 MB LDB: TIME 11919.5 LOAD: AVG 0.118303 MAX 0.197532 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.629 MB LDB: TIME 11919.5 LOAD: AVG 0.118303 MAX 0.197532 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.629 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11919.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11919.5 PRESSURE: 4008400 247.306 -117.307 47.8123 -117.308 -93.0295 80.5333 47.8117 80.5327 -20.6071 GPRESSURE: 4008400 286.445 -142.791 19.7556 -73.0207 -52.8915 63.012 -16.7523 57.9065 -5.53038 PRESSAVG: 4008400 -1.40301 -34.0353 31.3945 -34.0353 -11.0849 -11.0379 31.3945 -11.0378 25.5417 GPRESSAVG: 4008400 -0.0286505 -32.8242 33.0274 -34.9341 -11.8981 -12.3785 30.1749 -10.6232 25.3608 TIMING: 4008400 CPU: 11916.3, 0.00297529/step Wall: 11916.3, 0.00297529/step, 0.819526 hours remaining, 206.542969 MB of memory in use. ENERGY: 4008400 731.2356 2105.5579 1912.8856 114.8524 -206423.2672 17909.5504 0.0000 0.0000 33952.9779 -149696.2075 296.5198 -183649.1854 -149600.0063 298.2334 44.5566 76.0077 558063.5890 4.3513 4.4780 PRESSURE: 4008600 -166.831 98.4417 -58.2671 98.4412 -93.3371 -121.378 -58.2678 -121.378 -27.9267 GPRESSURE: 4008600 -121.103 143.173 24.4555 3.72849 -56.0501 -91.4317 -71.9038 -77.8391 -25.0676 PRESSAVG: 4008600 53.8026 -4.49048 44.6113 -4.4904 -18.4964 -13.2658 44.6113 -13.2657 -46.787 GPRESSAVG: 4008600 54.0666 -5.15615 45.3331 -4.11812 -17.8924 -11.6977 45.2159 -14.0918 -47.2603 TIMING: 4008600 CPU: 11916.9, 0.00291263/step Wall: 11916.9, 0.00291263/step, 0.802106 hours remaining, 206.542969 MB of memory in use. ENERGY: 4008600 741.7625 2106.3542 1949.0147 103.5359 -206470.5444 17815.3682 0.0000 0.0000 33996.2770 -149758.2319 296.8979 -183754.5089 -149665.2295 297.6375 -96.0317 -67.4069 557808.7560 -3.8269 -3.6954 PRESSURE: 4008800 119.676 11.8477 49.1613 11.8488 16.1585 29.0789 49.16 29.0796 -81.9544 GPRESSURE: 4008800 142.326 93.15 -12.7116 -28.7502 0.762129 79.0369 22.7865 39.9711 16.5133 PRESSAVG: 4008800 -23.9303 1.24676 -0.55343 1.24677 -7.34199 -52.0477 -0.553337 -52.0477 52.7417 GPRESSAVG: 4008800 -24.9846 2.08311 -2.75712 3.23287 -6.99648 -52.1974 -0.625573 -51.1062 53.7375 TIMING: 4008800 CPU: 11917.5, 0.00295219/step Wall: 11917.5, 0.00295219/step, 0.812836 hours remaining, 206.542969 MB of memory in use. ENERGY: 4008800 799.2138 2104.2079 1938.3257 116.5838 -207053.7992 18142.9401 0.0000 0.0000 34470.2153 -149482.3127 301.0370 -183952.5280 -149380.1058 298.5209 17.9600 53.2005 556521.7220 7.1565 7.2521 PRESSURE: 4009000 -51.1989 80.1765 -55.5576 80.1762 -254.13 86.8833 -55.5579 86.8829 105.806 GPRESSURE: 4009000 -5.16349 56.6731 -40.0032 118.031 -224.968 150.729 -60.4575 -27.8796 133.664 PRESSAVG: 4009000 -16.9866 -66.8223 -51.8295 -66.8222 -74.6798 46.9622 -51.8295 46.9623 79.0354 GPRESSAVG: 4009000 -16.5528 -71.2509 -50.0579 -68.3048 -73.9056 47.0181 -51.7819 45.5482 78.8693 TIMING: 4009000 CPU: 11918, 0.00294872/step Wall: 11918, 0.00294872/step, 0.811717 hours remaining, 206.542969 MB of memory in use. ENERGY: 4009000 769.4635 2056.8589 1931.9255 105.8724 -206493.1535 17894.1991 0.0000 0.0000 34103.8518 -149630.9823 297.8374 -183734.8341 -149537.1777 298.5264 -66.5076 -32.1560 557338.8970 -4.2103 -3.8631 PRESSURE: 4009200 -329.115 -53.7456 -75.2126 -53.7455 17.3673 73.2768 -75.2133 73.2773 42.1721 GPRESSURE: 4009200 -325.798 24.2971 -66.4565 -39.1986 97.1103 48.9329 -192.859 21.1805 53.4054 PRESSAVG: 4009200 -40.9401 -17.9829 13.4327 -17.9829 -3.19486 42.5889 13.4327 42.5889 47.6278 GPRESSAVG: 4009200 -41.2495 -16.2328 11.6835 -17.5183 -3.59342 42.1596 12.9674 43.7327 48.1257 TIMING: 4009200 CPU: 11918.6, 0.00291136/step Wall: 11918.6, 0.00291136/step, 0.801271 hours remaining, 206.542969 MB of memory in use. ENERGY: 4009200 747.1070 2084.5432 1941.4221 119.6820 -206538.4084 17763.2338 0.0000 0.0000 34375.7908 -149506.6296 300.2123 -183882.4204 -149410.0709 298.4575 -89.8585 -58.4274 556000.7549 1.1643 1.0942 PRESSURE: 4009400 -139.974 -44.0494 -6.19869 -44.0508 -73.739 17.6923 -6.19975 17.6912 -73.2315 GPRESSURE: 4009400 -91.6792 -103.707 -37.0703 -10.9108 -41.8215 -15.8187 1.97554 9.62126 -51.3953 PRESSAVG: 4009400 1.43092 10.2671 26.1965 10.2673 44.7978 1.32105 26.1965 1.32093 -27.3231 GPRESSAVG: 4009400 2.29221 9.2959 27.1737 9.71598 43.1206 1.83786 26.4005 0.0652437 -27.09 TIMING: 4009400 CPU: 11919.2, 0.00295011/step Wall: 11919.2, 0.00295011/step, 0.811771 hours remaining, 206.542969 MB of memory in use. ENERGY: 4009400 760.7652 2034.3362 1963.7559 97.7947 -206312.5993 17695.1092 0.0000 0.0000 34117.6999 -149643.1382 297.9584 -183760.8381 -149536.2570 298.7496 -95.6481 -61.6320 557804.6347 6.3019 6.1076 PRESSURE: 4009600 -19.4915 68.0231 -45.2797 68.0233 79.3356 -51.965 -45.2801 -51.9653 -75.1287 GPRESSURE: 4009600 34.6663 69.3521 -81.1068 62.9043 67.2269 -79.6291 -8.13945 23.8261 -8.62705 PRESSAVG: 4009600 50.103 2.97811 -2.12912 2.97826 -97.7222 20.6452 -2.12914 20.6452 21.6888 GPRESSAVG: 4009600 49.4008 2.60536 0.808631 2.61653 -96.7218 18.1857 -3.43251 20.3218 21.2147 TIMING: 4009600 CPU: 11919.8, 0.00296638/step Wall: 11919.8, 0.00296638/step, 0.816084 hours remaining, 206.542969 MB of memory in use. ENERGY: 4009600 749.2491 2048.3382 1936.5931 100.9004 -206432.1332 17868.4419 0.0000 0.0000 34098.6197 -149629.9909 297.7917 -183728.6106 -149538.8800 297.9137 -5.0949 31.0887 557052.4449 -8.6434 -8.7021 PRESSURE: 4009800 -89.4385 177.469 -113.542 177.468 -119.112 -38.1387 -113.543 -38.1385 160.33 GPRESSURE: 4009800 -51.6723 155.727 -128.73 256.353 -86.9374 -71.5663 -55.3253 -15.8297 164.167 PRESSAVG: 4009800 -12.1142 54.3544 -21.7589 54.3544 19.3198 2.64022 -21.7589 2.6402 -11.6498 GPRESSAVG: 4009800 -11.3288 55.4685 -24.5641 57.1591 19.6383 3.17631 -19.2754 5.12596 -12.2645 TIMING: 4009800 CPU: 11920.4, 0.00295703/step Wall: 11920.4, 0.00295703/step, 0.813347 hours remaining, 206.542969 MB of memory in use. ENERGY: 4009800 758.9836 2050.2741 1954.0999 100.1612 -206098.0257 17629.8630 0.0000 0.0000 34203.7355 -149400.9085 298.7097 -183604.6440 -149303.9562 298.4113 -16.0735 8.5192 556634.0507 -1.4814 -1.3183 PRESSURE: 4010000 -300.849 -50.5339 73.2632 -50.5338 -37.5125 -76.5554 73.263 -76.5565 -78.8707 GPRESSURE: 4010000 -225.162 -120.409 77.7448 -44.4051 -6.81848 -60.9647 87.0694 -150.023 -80.0981 PRESSAVG: 4010000 -1.27175 12.726 -18.2395 12.7259 38.9177 52.0211 -18.2395 52.0211 -21.0968 GPRESSAVG: 4010000 -1.35796 12.823 -19.1449 13.1789 38.5756 53.6705 -18.327 52.2146 -19.9462 TIMING: 4010000 CPU: 11921, 0.00293425/step Wall: 11921, 0.00293425/step, 0.80692 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4010000 784.8090 2049.4592 1973.1012 114.7843 -206359.3823 17821.2720 0.0000 0.0000 34170.3772 -149445.5795 298.4184 -183615.9567 -149348.0133 298.6645 -139.0775 -104.0263 556423.6061 5.5164 5.7571 PRESSURE: 4010200 102.283 206.244 -33.0386 206.244 48.4622 115.581 -33.0378 115.581 -116.768 GPRESSURE: 4010200 98.5706 126.131 -41.8256 179.506 129.775 9.81728 -9.88153 157.051 -94.6909 PRESSAVG: 4010200 -1.55525 36.1418 12.4818 36.1419 7.29889 71.7842 12.4818 71.7841 -41.8276 GPRESSAVG: 4010200 -2.34561 35.9828 14.5564 34.2629 8.61114 69.0875 12.5135 71.5844 -42.5728 TIMING: 4010200 CPU: 11921.6, 0.00291418/step Wall: 11921.6, 0.00291418/step, 0.801238 hours remaining, 206.542969 MB of memory in use. ENERGY: 4010200 744.2617 2093.7038 1916.3100 116.9913 -206409.3228 17782.3188 0.0000 0.0000 34475.4050 -149280.3322 301.0823 -183755.7372 -149188.9656 298.3873 11.3258 44.5516 556032.7587 -12.0280 -12.1024 PRESSURE: 4010400 -183.482 -31.0144 54.3993 -31.0147 -171.524 55.8575 54.3994 55.8586 -202.832 GPRESSURE: 4010400 -159.634 -27.3991 50.5067 115.287 -117.279 80.3668 74.3255 1.99569 -180.376 PRESSAVG: 4010400 -20.2372 21.3674 55.9271 21.3674 32.5268 -24.722 55.927 -24.7219 -27.0714 GPRESSAVG: 4010400 -19.1222 21.4604 54.609 23.015 31.8477 -21.3678 56.0582 -27.3012 -27.2438 TIMING: 4010400 CPU: 11922.2, 0.00293812/step Wall: 11922.2, 0.00293812/step, 0.807657 hours remaining, 206.542969 MB of memory in use. ENERGY: 4010400 817.9528 2051.6491 1946.7140 123.0356 -206335.6415 17738.4748 0.0000 0.0000 34372.4650 -149285.3502 300.1833 -183657.8152 -149191.4371 299.4278 -185.9463 -152.4297 556964.3383 -4.9273 -4.8394 PRESSURE: 4010600 -187.621 -95.7696 161.897 -95.77 146.481 48.4776 161.898 48.4768 35.2508 GPRESSURE: 4010600 -160.804 -92.588 145.89 -75.748 167.777 76.8624 212.872 16.5583 76.5798 PRESSAVG: 4010600 -24.456 -30.0047 -29.3598 -30.0047 13.4448 22.8733 -29.3598 22.8733 19.3649 GPRESSAVG: 4010600 -24.7506 -30.2606 -28.4357 -29.6851 13.668 21.5071 -28.334 23.7952 19.3384 TIMING: 4010600 CPU: 11922.7, 0.00292464/step Wall: 11922.7, 0.00292464/step, 0.803788 hours remaining, 206.542969 MB of memory in use. ENERGY: 4010600 719.9309 2081.9690 1935.1048 122.0033 -205990.1784 17597.7943 0.0000 0.0000 34316.1016 -149217.2746 299.6911 -183533.3762 -149126.1852 299.5706 -1.9631 27.8509 555435.9294 2.7846 2.7519 PRESSURE: 4010800 -16.2075 -137.757 -98.1351 -137.758 45.3524 -106.099 -98.1353 -106.098 0.896463 GPRESSURE: 4010800 58.726 -121.848 -69.9798 -127.677 77.1113 -73.0315 -48.3357 -90.2062 -8.91441 PRESSAVG: 4010800 -29.5266 -8.99334 -16.07 -8.99331 46.7747 19.3272 -16.0701 19.3272 1.01743 GPRESSAVG: 4010800 -29.586 -9.53833 -13.4879 -10.6787 46.762 17.9529 -17.4384 20.2826 0.0584211 TIMING: 4010800 CPU: 11923.3, 0.00292621/step Wall: 11923.3, 0.00292621/step, 0.804057 hours remaining, 206.542969 MB of memory in use. ENERGY: 4010800 758.1743 2102.6043 1946.7044 108.4043 -206466.7450 17932.0844 0.0000 0.0000 34330.6234 -149288.1500 299.8179 -183618.7734 -149180.4338 299.3705 10.0138 42.3076 555050.4124 6.0885 5.7448 PRESSURE: 4011000 -265.373 -73.4514 -102.215 -73.4513 -187.254 -99.3996 -102.215 -99.4009 -202.68 GPRESSURE: 4011000 -226.945 -95.0989 -84.0989 34.3556 -156.07 9.79695 -178.031 -122.053 -166.459 PRESSAVG: 4011000 48.7666 -43.2979 15.3469 -43.2979 35.4691 24.5231 15.347 24.5231 -78.3034 GPRESSAVG: 4011000 48.65 -42.0265 13.8553 -42.6111 34.7135 26.7066 13.2935 23.0354 -77.3012 TIMING: 4011000 CPU: 11923.9, 0.00293741/step Wall: 11923.9, 0.00293741/step, 0.806972 hours remaining, 206.542969 MB of memory in use. ENERGY: 4011000 783.0209 2100.3036 1935.3063 115.4801 -206077.2591 17542.5945 0.0000 0.0000 34062.8729 -149537.6807 297.4795 -183600.5537 -149442.2804 298.7491 -218.4358 -183.1578 558207.5790 1.9774 2.0208 PRESSURE: 4011200 -246.795 -66.2335 55.0467 -66.2324 -199.575 -88.1273 55.0458 -88.1266 -191.245 GPRESSURE: 4011200 -224.15 -74.2411 -27.509 -42.2352 -126.895 -119.529 147.061 -90.2792 -191.282 PRESSAVG: 4011200 -11.0799 -18.5216 32.4377 -18.5215 -18.7493 15.9289 32.4377 15.929 39.6885 GPRESSAVG: 4011200 -11.4633 -18.3902 31.8544 -18.0228 -17.3853 15.1035 33.2574 18.3567 39.3156 TIMING: 4011200 CPU: 11924.5, 0.00294122/step Wall: 11924.5, 0.00294122/step, 0.807854 hours remaining, 206.542969 MB of memory in use. ENERGY: 4011200 733.2649 2089.9379 1934.2222 114.0893 -206008.7325 17545.9868 0.0000 0.0000 33961.1582 -149630.0732 296.5912 -183591.2314 -149530.9477 298.4553 -212.5384 -180.7757 557582.2040 3.2865 3.4890 PRESSURE: 4011400 -22.4447 -8.98436 -63.9616 -8.98555 -142.877 -184.189 -63.9617 -184.188 20.0425 GPRESSURE: 4011400 -15.7815 33.8226 -64.5242 -27.1147 -111.386 -202.86 -66.8581 -105.102 70.0044 PRESSAVG: 4011400 -78.6421 10.8092 12.2246 10.8093 22.3305 -28.3783 12.2246 -28.3782 -20.6541 GPRESSAVG: 4011400 -78.5882 11.5339 9.48335 9.33027 21.4867 -28.4178 12.4327 -27.192 -19.8037 TIMING: 4011400 CPU: 11925.1, 0.00292438/step Wall: 11925.1, 0.00292438/step, 0.803068 hours remaining, 206.542969 MB of memory in use. ENERGY: 4011400 770.5487 2059.6502 1947.4955 108.4626 -206746.1585 18078.9769 0.0000 0.0000 34273.5230 -149507.5016 299.3192 -183781.0246 -149408.9938 297.7707 -48.4262 -19.0543 557733.2903 -25.6552 -25.6351 PRESSURE: 4011600 14.9565 80.0416 78.9817 80.0416 343.56 26.9059 78.9818 26.907 24.0562 GPRESSURE: 4011600 67.5678 -29.4231 66.1385 136.903 319.226 -56.534 32.9705 51.732 87.4853 PRESSAVG: 4011600 -45.2007 -31.554 21.332 -31.554 12.5267 -65.1275 21.332 -65.1275 33.6775 GPRESSAVG: 4011600 -46.1281 -32.4021 24.0135 -29.777 12.9638 -65.9643 20.7935 -66.7479 34.0727 TIMING: 4011600 CPU: 11925.7, 0.00290174/step Wall: 11925.7, 0.00290174/step, 0.796689 hours remaining, 206.542969 MB of memory in use. ENERGY: 4011600 765.3089 2102.3502 1939.6710 125.6318 -206794.6861 18179.2330 0.0000 0.0000 34154.2127 -149528.2785 298.2772 -183682.4911 -149438.8082 298.1524 127.5241 158.0932 556258.5970 0.3345 0.3028 PRESSURE: 4011800 39.3523 100.218 -68.9285 100.216 -111.743 -65.2745 -68.9298 -65.275 61.8304 GPRESSURE: 4011800 104.887 108.499 -79.692 130.77 -82.8244 -78.2173 13.709 -75.4972 62.0451 PRESSAVG: 4011800 27.1549 76.0577 -9.12828 76.0577 -18.205 -11.8287 -9.12828 -11.8287 23.1626 GPRESSAVG: 4011800 27.3934 77.0808 -10.4258 71.8138 -17.637 -11.7463 -7.25299 -13.5846 22.6283 TIMING: 4011800 CPU: 11926.2, 0.00291749/step Wall: 11926.2, 0.00291749/step, 0.800851 hours remaining, 206.542969 MB of memory in use. ENERGY: 4011800 729.3970 2074.0658 1929.3049 120.6786 -206707.6552 17946.7152 0.0000 0.0000 34351.7975 -149555.6962 300.0028 -183907.4937 -149451.9402 298.7142 -3.5199 28.0360 557292.6215 10.7041 10.7949 PRESSURE: 4012000 -243.369 -133.043 85.3024 -133.043 -50.4224 -173.712 85.3012 -173.714 -54.5858 GPRESSURE: 4012000 -239.385 -85.6168 65.9538 -140.232 12.1887 -151.838 54.5843 -177.421 -15.4394 PRESSAVG: 4012000 -26.1355 2.45119 13.8723 2.45123 -31.6581 -36.4286 13.8723 -36.4286 65.7268 GPRESSAVG: 4012000 -24.1255 2.52091 13.2917 4.19744 -32.1525 -39.0084 14.4223 -32.8743 64.3625 TIMING: 4012000 CPU: 11926.8, 0.00293515/step Wall: 11926.8, 0.00293515/step, 0.805536 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4012000 752.7885 2053.3051 1947.0425 118.4383 -206575.9203 17861.4199 0.0000 0.0000 34226.0419 -149616.8841 298.9045 -183842.9260 -149521.6233 297.9036 -116.1257 -80.8785 557579.6003 2.6444 2.6948 PRESSURE: 4012200 32.5918 -41.4312 25.9119 -41.4299 -115.335 -80.495 25.913 -80.4944 60.9194 GPRESSURE: 4012200 99.0661 -23.7923 3.70757 -137.468 -149.027 -116.335 43.6685 -27.4598 109.569 PRESSAVG: 4012200 -44.0639 15.0148 82.429 15.0148 -27.5951 8.608 82.429 8.60784 18.6076 GPRESSAVG: 4012200 -45.2135 12.1101 81.3147 17.378 -27.5595 10.6065 81.3338 6.0941 19.4802 TIMING: 4012200 CPU: 11927.4, 0.0029186/step Wall: 11927.4, 0.0029186/step, 0.800832 hours remaining, 206.542969 MB of memory in use. ENERGY: 4012200 770.6380 2052.4029 1948.3940 103.1972 -206595.2122 17872.0302 0.0000 0.0000 34232.3242 -149616.2257 298.9594 -183848.5498 -149517.0077 298.2833 -7.2745 19.8697 557430.3147 -17.6838 -17.7643 LDB: ============= START OF LOAD BALANCING ============== 11931 LDB: ============== END OF LOAD BALANCING =============== 11931 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11931 LDB: ============= START OF LOAD BALANCING ============== 11931.3 LDB: Largest compute 4809 load 0.022212 is 18.8% of average load 0.118265 LDB: Average compute 0.001732 is 1.5% of average load 0.118265 LDB: TIME 11931.3 LOAD: AVG 0.118265 MAX 0.19438 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.598 MB LDB: TIME 11931.3 LOAD: AVG 0.118265 MAX 0.19438 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.801 MB LDB: TIME 11931.3 LOAD: AVG 0.118265 MAX 0.19438 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.801 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11931.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11931.3 PRESSURE: 4012400 230.717 53.8227 -82.7718 53.8232 218.027 20.8957 -82.7714 20.896 206.032 GPRESSURE: 4012400 254.911 -20.61 -56.8286 67.8384 280.167 -27.645 -135.822 15.2308 201.876 PRESSAVG: 4012400 -19.9901 -19.0066 50.3986 -19.0065 -23.3269 4.9639 50.3987 4.96379 38.0105 GPRESSAVG: 4012400 -19.0131 -15.7888 51.7865 -20.3582 -24.1323 4.90896 51.6436 7.90466 38.0748 TIMING: 4012400 CPU: 11928, 0.00299621/step Wall: 11928, 0.00299621/step, 0.821962 hours remaining, 207.253906 MB of memory in use. ENERGY: 4012400 717.6528 1999.7265 1960.4554 107.7905 -206630.3743 18024.5206 0.0000 0.0000 34341.2196 -149479.0088 299.9104 -183820.2285 -149380.6367 298.5362 218.2588 245.6510 556618.4469 -1.7689 -1.6902 PRESSURE: 4012600 -38.4395 91.7368 5.74533 91.7358 -47.5607 -60.5812 5.74525 -60.5805 87.5317 GPRESSURE: 4012600 20.6004 106.144 88.831 100.296 -15.2163 -95.656 75.7755 -90.5607 99.2165 PRESSAVG: 4012600 31.9359 -21.187 35.1677 -21.187 -48.4757 -29.5597 35.1677 -29.5595 28.2616 GPRESSAVG: 4012600 31.6618 -23.7 35.2563 -21.67 -47.4761 -28.6006 34.8363 -31.7857 27.4571 TIMING: 4012600 CPU: 11928.6, 0.00291665/step Wall: 11928.6, 0.00291665/step, 0.799973 hours remaining, 207.253906 MB of memory in use. ENERGY: 4012600 762.5988 2076.9376 1934.6226 122.8359 -206410.5528 18103.6677 0.0000 0.0000 34171.6808 -149238.2095 298.4298 -183409.8902 -149154.5938 298.4872 0.5105 34.8669 557798.0978 3.9073 3.8809 PRESSURE: 4012800 186.188 -86.0164 -231.948 -86.0183 -174.721 154.034 -231.948 154.033 170.829 GPRESSURE: 4012800 207.245 -145.904 -244.324 -85.8833 -116.228 147.766 -140.006 147.317 193.708 PRESSAVG: 4012800 14.788 10.3731 24.5196 10.373 19.7957 29.4959 24.5196 29.496 -40.8204 GPRESSAVG: 4012800 16.2573 12.3126 25.2627 10.0395 18.7852 29.7912 25.5829 30.5455 -41.2253 TIMING: 4012800 CPU: 11929.2, 0.0029318/step Wall: 11929.2, 0.0029318/step, 0.803966 hours remaining, 207.253906 MB of memory in use. ENERGY: 4012800 760.7481 2093.0851 1917.4017 130.2110 -206462.6984 18022.8109 0.0000 0.0000 34117.4799 -149420.9618 297.9564 -183538.4417 -149318.2133 298.7113 60.7654 94.9085 555702.8782 -2.0789 -2.0609 PRESSURE: 4013000 -241.483 -78.9217 -71.4686 -78.9229 -141.88 111.136 -71.4686 111.137 -312.29 GPRESSURE: 4013000 -259.296 -46.6738 -71.3383 -95.8881 -127.735 95.9657 -125.21 103.351 -217.133 PRESSAVG: 4013000 9.35827 -13.7295 -53.4353 -13.7296 49.8515 -8.03173 -53.4353 -8.03167 -94.395 GPRESSAVG: 4013000 7.72578 -14.4677 -53.7244 -10.7022 51.3816 -8.86698 -54.9069 -9.29697 -93.7776 TIMING: 4013000 CPU: 11929.8, 0.00292271/step Wall: 11929.8, 0.00292271/step, 0.80131 hours remaining, 207.253906 MB of memory in use. ENERGY: 4013000 731.9584 2001.1826 1929.7346 99.7174 -205861.7782 17370.8411 0.0000 0.0000 34487.0882 -149241.2559 301.1843 -183728.3441 -149142.0241 298.7676 -231.8845 -201.3878 556962.6699 -11.7284 -11.5568 PRESSURE: 4013200 112.763 -155.397 -8.70399 -155.396 71.0725 53.4876 -8.70443 53.4873 237.551 GPRESSURE: 4013200 162.228 -194.732 56.4097 -114.048 133.745 95.053 -92.7402 24.7796 230.169 PRESSAVG: 4013200 59.5875 0.0489312 -83.8723 0.0490239 -59.2818 5.88636 -83.8723 5.88626 5.04254 GPRESSAVG: 4013200 60.97 -1.11187 -84.3593 -1.10655 -59.342 6.67972 -84.5089 4.54771 3.9547 TIMING: 4013200 CPU: 11930.4, 0.00294761/step Wall: 11930.4, 0.00294761/step, 0.807973 hours remaining, 207.253906 MB of memory in use. ENERGY: 4013200 723.5872 2062.8594 1933.1610 116.7152 -206593.9143 18139.7241 0.0000 0.0000 34326.9389 -149290.9286 299.7857 -183617.8674 -149194.0714 299.0312 140.4623 175.3809 557987.2284 1.7827 1.8609 PRESSURE: 4013400 -48.6286 -84.8594 -11.3892 -84.8602 211.849 -139.889 -11.3888 -139.89 191.628 GPRESSURE: 4013400 2.64949 -126.508 41.9437 -47.4117 249.322 -188.333 -50.2909 -99.8614 206.171 PRESSAVG: 4013400 6.17759 -10.2562 -7.32083 -10.2562 -49.2727 -14.5418 -7.32087 -14.5419 21.0959 GPRESSAVG: 4013400 5.07447 -11.0109 -6.16256 -9.00249 -49.4914 -14.5374 -6.1975 -14.8727 22.0504 TIMING: 4013400 CPU: 11930.9, 0.00293624/step Wall: 11930.9, 0.00293624/step, 0.804692 hours remaining, 207.253906 MB of memory in use. ENERGY: 4013400 748.2433 2140.7778 1916.8206 110.5871 -206390.5154 17964.0601 0.0000 0.0000 34223.9873 -149286.0392 298.8866 -183510.0265 -149196.0709 299.1832 118.2829 152.7142 557626.3112 -7.3331 -7.4555 PRESSURE: 4013600 -206.161 137.082 76.885 137.081 -182.056 13.2677 76.8842 13.2678 -150.603 GPRESSURE: 4013600 -266.546 148.183 13.0463 47.7663 -68.9025 58.7123 26.6488 43.9185 -105.783 PRESSAVG: 4013600 -8.70712 -3.83968 18.3022 -3.83964 4.84825 -22.8977 18.3022 -22.8977 27.3781 GPRESSAVG: 4013600 -10.19 -3.69263 18.3902 -3.76636 5.60974 -23.1315 19.3629 -21.5263 28.3419 TIMING: 4013600 CPU: 11931.5, 0.00294958/step Wall: 11931.5, 0.00294958/step, 0.808186 hours remaining, 207.253906 MB of memory in use. ENERGY: 4013600 736.1888 2053.9046 1937.5206 123.6169 -206192.1398 17698.4819 0.0000 0.0000 34142.1532 -149500.2738 298.1719 -183642.4270 -149407.6774 298.2286 -179.6069 -147.0771 558653.5077 7.8397 7.9205 PRESSURE: 4013800 -60.0291 -21.1764 36.6823 -21.1768 6.19411 1.28394 36.6829 1.28536 90.9858 GPRESSURE: 4013800 -38.5775 -15.4014 81.5647 -50.8262 82.2581 -48.4097 7.55843 67.3382 89.4372 PRESSAVG: 4013800 -18.5421 36.4833 44.6774 36.4834 29.2388 -25.4957 44.6773 -25.4958 -5.1501 GPRESSAVG: 4013800 -17.3918 36.0479 44.9686 33.6291 29.6633 -25.3085 42.0732 -26.1652 -6.47122 TIMING: 4013800 CPU: 11932.1, 0.00293673/step Wall: 11932.1, 0.00293673/step, 0.804501 hours remaining, 207.253906 MB of memory in use. ENERGY: 4013800 731.0003 2034.0105 1940.6101 98.3394 -206338.3163 17836.9539 0.0000 0.0000 34379.9928 -149317.4094 300.2490 -183697.4022 -149221.7117 299.4498 12.3836 44.3726 558876.2434 1.8489 1.9334 PRESSURE: 4014000 -202.011 -32.5505 163.353 -32.5513 -357.775 -36.6232 163.353 -36.6248 -170.83 GPRESSURE: 4014000 -146.553 -51.7434 78.4723 -0.815069 -252.391 -29.9903 181.376 -87.3953 -227.243 PRESSAVG: 4014000 -26.639 15.6212 -17.3175 15.6213 8.12958 16.2816 -17.3177 16.2817 33.9742 GPRESSAVG: 4014000 -27.0518 15.9105 -17.7964 15.941 6.71282 16.0154 -15.773 16.1886 35.3304 TIMING: 4014000 CPU: 11932.7, 0.00293448/step Wall: 11932.7, 0.00293448/step, 0.803723 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4014000 782.9140 2104.4182 1941.0428 101.8906 -205870.5390 17597.0657 0.0000 0.0000 34125.6086 -149217.5992 298.0274 -183343.2079 -149119.0047 299.1484 -243.5387 -208.7290 558518.0540 5.1549 4.9971 PRESSURE: 4014200 11.2258 95.2412 -11.3989 95.2407 -77.6286 -121.215 -11.4001 -121.216 8.85046 GPRESSURE: 4014200 63.4393 40.2659 -15.315 42.2402 -103.428 -168.18 -36.702 -85.4129 77.6291 PRESSAVG: 4014200 34.3951 22.6123 -7.71641 22.6123 -33.7077 -11.2466 -7.7163 -11.2467 -9.57884 GPRESSAVG: 4014200 34.5944 24.0305 -8.54164 22.0539 -32.8765 -10.6183 -6.11379 -10.5421 -10.5243 TIMING: 4014200 CPU: 11933.3, 0.0029424/step Wall: 11933.3, 0.0029424/step, 0.805727 hours remaining, 207.253906 MB of memory in use. ENERGY: 4014200 800.3439 2068.6686 1960.1649 125.4899 -206141.0965 17893.0461 0.0000 0.0000 34140.0316 -149153.3514 298.1534 -183293.3830 -149056.6569 299.0691 -19.1841 12.5468 557043.9971 -2.9638 -2.9355 PRESSURE: 4014400 -188.039 47.5444 59.8969 47.5455 -93.6285 -65.3266 59.8975 -65.3272 16.9898 GPRESSURE: 4014400 -131.179 24.6416 75.0875 14.2142 -26.542 -18.9391 51.1693 -111.266 -14.2673 PRESSAVG: 4014400 16.8578 -21.1403 -48.394 -21.1403 -50.791 -57.3946 -48.3941 -57.3945 55.211 GPRESSAVG: 4014400 18.3833 -22.6304 -49.0826 -18.7596 -51.5262 -58.4856 -46.9909 -58.9049 54.981 TIMING: 4014400 CPU: 11933.9, 0.00292104/step Wall: 11933.9, 0.00292104/step, 0.799715 hours remaining, 207.253906 MB of memory in use. ENERGY: 4014400 776.5191 2115.6203 1937.1842 108.0076 -205975.4435 17743.6596 0.0000 0.0000 34171.0217 -149123.4309 298.4240 -183294.4527 -149033.4703 299.9039 -88.2260 -57.3295 556490.1769 7.0926 7.2793 PRESSURE: 4014600 32.9087 -25.9218 -135.172 -25.9224 119.07 4.05843 -135.17 4.05916 96.6321 GPRESSURE: 4014600 67.0995 -20.2222 -47.7046 -41.4143 160.588 66.1304 -121.826 -39.0181 116.422 PRESSAVG: 4014600 -87.8694 26.4426 -59.4816 26.4426 -8.82965 -31.8047 -59.4816 -31.8048 104.018 GPRESSAVG: 4014600 -89.3824 27.138 -59.4644 25.0193 -7.60993 -31.8918 -60.8187 -31.6835 103.865 TIMING: 4014600 CPU: 11934.5, 0.00292779/step Wall: 11934.5, 0.00292779/step, 0.801401 hours remaining, 207.253906 MB of memory in use. ENERGY: 4014600 749.0366 2146.1059 1923.1005 106.6261 -206327.8554 18051.9537 0.0000 0.0000 34334.5171 -149016.5155 299.8519 -183351.0326 -148923.4547 300.1882 82.8702 114.7032 559274.3336 2.4398 2.2910 PRESSURE: 4014800 262.783 44.5588 -7.88681 44.559 347.759 -61.2181 -7.88419 -61.2175 170.074 GPRESSURE: 4014800 294.668 38.1299 56.0984 94.1087 358.019 -84.7334 4.91978 -47.5974 205.129 PRESSAVG: 4014800 -52.5177 12.5346 -10.5572 12.5347 61.1862 -49.9762 -10.5572 -49.9763 26.1482 GPRESSAVG: 4014800 -52.3121 12.9188 -10.4012 13.4968 59.7347 -51.5774 -11.6662 -47.5169 27.3116 TIMING: 4014800 CPU: 11935.1, 0.00295594/step Wall: 11935.1, 0.00295594/step, 0.808941 hours remaining, 207.253906 MB of memory in use. ENERGY: 4014800 720.7856 2093.8341 1918.1544 106.6499 -206312.6284 18030.1612 0.0000 0.0000 34297.9199 -149145.1233 299.5323 -183443.0432 -149048.3576 299.6467 260.2051 285.9386 559465.1787 11.6056 11.5781 PRESSURE: 4015000 -43.8494 110.876 8.32123 110.874 -28.2404 165.195 8.32165 165.194 0.853317 GPRESSURE: 4015000 -24.2033 88.8782 -7.62837 87.9596 38.8195 194.915 -61.0528 97.8505 -5.36731 PRESSAVG: 4015000 -32.4178 13.1668 -31.0571 13.1667 18.0783 -3.37701 -31.0571 -3.37703 -4.97879 GPRESSAVG: 4015000 -32.0947 13.5751 -32.1625 12.5367 18.7999 -0.549996 -28.1787 -5.92878 -5.75346 TIMING: 4015000 CPU: 11935.6, 0.00292684/step Wall: 11935.6, 0.00292684/step, 0.800816 hours remaining, 207.253906 MB of memory in use. ENERGY: 4015000 713.2049 2162.4404 1950.1331 124.4541 -206212.8738 17786.5756 0.0000 0.0000 34110.3035 -149365.7622 297.8938 -183476.0657 -149267.3494 298.7152 -23.7455 3.0830 560028.7235 -6.4394 -6.3494 PRESSURE: 4015200 -120.721 -85.6095 34.2351 -85.6109 -121.451 105.814 34.2357 105.815 -17.1202 GPRESSURE: 4015200 -92.7833 33.7094 107.304 -107.957 -141.293 22.5081 -13.4288 99.246 79.2872 PRESSAVG: 4015200 -11.52 26.2366 18.2197 26.2366 70.4793 -19.9939 18.2196 -19.9938 -87.1974 GPRESSAVG: 4015200 -11.4646 25.1099 20.9416 27.1457 71.0486 -20.6008 13.0698 -20.0623 -87.2532 TIMING: 4015200 CPU: 11936.2, 0.00294746/step Wall: 11936.2, 0.00294746/step, 0.806294 hours remaining, 207.253906 MB of memory in use. ENERGY: 4015200 818.9829 2108.8302 1928.5670 107.5723 -206105.0596 17958.3653 0.0000 0.0000 34143.1454 -149039.5965 298.1806 -183182.7419 -148941.5570 298.8117 -86.4308 -51.5964 559743.5886 -9.4127 -9.2231 PRESSURE: 4015400 -29.3198 25.3362 -41.8883 25.3351 -15.719 37.826 -41.8882 37.8255 -240.863 GPRESSURE: 4015400 -18.5052 40.4359 -63.5205 8.91835 45.7932 40.7712 -41.9077 -37.2415 -213.203 PRESSAVG: 4015400 1.65553 -2.92568 25.0656 -2.92568 -46.9348 39.0745 25.0656 39.0745 13.905 GPRESSAVG: 4015400 1.46886 -1.94739 23.9755 -4.7136 -47.0108 38.4748 26.358 38.5316 14.0948 TIMING: 4015400 CPU: 11936.8, 0.00293759/step Wall: 11936.8, 0.00293759/step, 0.803432 hours remaining, 207.253906 MB of memory in use. ENERGY: 4015400 737.0998 2082.4506 1932.4204 122.7735 -205925.6222 17584.6870 0.0000 0.0000 34382.6149 -149083.5758 300.2719 -183466.1908 -148988.7433 300.1071 -95.3006 -61.9718 557754.2331 -10.4581 -10.4824 PRESSURE: 4015600 257.843 38.3766 210.868 38.3766 360.178 -7.46162 210.867 -7.46352 218.236 GPRESSURE: 4015600 241.35 45.5975 146.983 50.4472 445.738 27.2694 302.227 13.7199 237.52 PRESSAVG: 4015600 51.9409 -41.3702 7.14778 -41.3702 23.5436 16.0622 7.14783 16.0621 -32.884 GPRESSAVG: 4015600 52.7731 -41.6171 6.58176 -40.8612 23.2753 16.9113 8.26954 17.1187 -33.4591 TIMING: 4015600 CPU: 11937.4, 0.00294063/step Wall: 11937.4, 0.00294063/step, 0.804098 hours remaining, 207.253906 MB of memory in use. ENERGY: 4015600 725.3829 2118.3330 1924.3385 127.8266 -206440.7087 18052.7587 0.0000 0.0000 34298.4470 -149193.6220 299.5369 -183492.0690 -149101.0343 299.7259 278.7521 308.2028 555161.1342 14.2002 14.1964 PRESSURE: 4015800 10.6822 -360.895 80.2612 -360.895 132.003 -188.871 80.2606 -188.87 38.1537 GPRESSURE: 4015800 113.994 -331.258 80.0549 -354.668 113.825 -198.412 102.934 -114.702 58.7539 PRESSAVG: 4015800 35.3271 -44.1661 -45.6221 -44.1661 41.1491 -47.5246 -45.6222 -47.5245 -85.7177 GPRESSAVG: 4015800 35.788 -44.3448 -46.854 -44.4573 40.5436 -48.5497 -45.811 -46.4893 -84.9045 TIMING: 4015800 CPU: 11938, 0.00294738/step Wall: 11938, 0.00294738/step, 0.80578 hours remaining, 207.253906 MB of memory in use. ENERGY: 4015800 764.5653 2086.1421 1929.8802 101.1363 -206306.7726 18028.7226 0.0000 0.0000 34140.1190 -149256.2071 298.1542 -183396.3261 -149161.7737 299.2822 60.2796 95.5244 557685.3352 -3.0805 -2.8576 PRESSURE: 4016000 -136.907 -119.189 45.9886 -119.19 -14.9771 122.495 45.9898 122.494 8.91063 GPRESSURE: 4016000 -37.9707 -130.159 -80.6275 -91.4834 -14.812 25.7581 147.319 170.375 2.40138 PRESSAVG: 4016000 28.7036 -22.4585 -19.1185 -22.4586 30.2826 -7.94845 -19.1186 -7.94844 -60.0351 GPRESSAVG: 4016000 27.8038 -20.7235 -18.0429 -21.5593 32.3664 -5.89806 -19.1289 -9.36409 -61.2933 TIMING: 4016000 CPU: 11938.6, 0.00293543/step Wall: 11938.6, 0.00293543/step, 0.802351 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4016000 750.5786 2087.5596 1963.1582 108.3832 -206120.4696 17605.2659 0.0000 0.0000 34413.3579 -149192.1662 300.5404 -183605.5242 -149092.8705 299.4856 -47.6580 -16.7938 557688.7935 -0.3496 -0.3744 PRESSURE: 4016200 -263.624 30.1144 -228.37 30.1143 -308.541 -8.46131 -228.37 -8.4622 -61.767 GPRESSURE: 4016200 -285.013 -4.51562 -215.321 -51.7881 -207.5 -60.2359 -211.011 -20.1249 -47.3534 PRESSAVG: 4016200 60.5963 -49.1439 -20.6915 -49.1439 -43.556 36.1707 -20.6915 36.1708 -3.96523 GPRESSAVG: 4016200 60.6212 -49.7818 -21.3098 -49.8052 -44.4763 35.5879 -20.0054 35.743 -3.06581 TIMING: 4016200 CPU: 11939.2, 0.00295351/step Wall: 11939.2, 0.00295351/step, 0.807129 hours remaining, 207.511719 MB of memory in use. ENERGY: 4016200 798.6872 2142.0634 1921.1783 108.9093 -205882.5993 17496.7255 0.0000 0.0000 34285.0717 -149129.9640 299.4201 -183415.0357 -149032.3402 299.6407 -211.3105 -179.9555 557754.9717 4.3583 4.3597 LDB: ============= START OF LOAD BALANCING ============== 11942.7 LDB: ============== END OF LOAD BALANCING =============== 11942.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11942.7 LDB: ============= START OF LOAD BALANCING ============== 11943 LDB: Largest compute 4809 load 0.021666 is 18.3% of average load 0.118337 LDB: Average compute 0.001723 is 1.5% of average load 0.118337 LDB: TIME 11943 LOAD: AVG 0.118337 MAX 0.19666 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 11943 LOAD: AVG 0.118337 MAX 0.19666 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: TIME 11943 LOAD: AVG 0.118337 MAX 0.19666 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11943 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11943 PRESSURE: 4016400 130.626 -55.141 -18.89 -55.1399 144.436 -93.4321 -18.8893 -93.4318 -206.529 GPRESSURE: 4016400 184.218 -79.311 40.0991 0.847778 153.249 -104.925 -17.9858 -115.48 -178.357 PRESSAVG: 4016400 19.2223 -45.6047 -36.4637 -45.6047 40.8951 -29.1688 -36.4638 -29.1689 -97.7866 GPRESSAVG: 4016400 18.424 -45.9777 -35.1628 -46.8795 41.3427 -28.9029 -37.2351 -27.4551 -97.5075 TIMING: 4016400 CPU: 11939.8, 0.00299027/step Wall: 11939.8, 0.00299027/step, 0.817008 hours remaining, 207.511719 MB of memory in use. ENERGY: 4016400 774.0351 2139.0804 1935.6885 131.5960 -206547.6138 17877.3968 0.0000 0.0000 34389.9993 -149299.8177 300.3364 -183689.8170 -149207.0117 299.7532 22.8443 53.0368 556180.8662 -12.5564 -12.5803 PRESSURE: 4016600 -244.447 -86.4392 73.9579 -86.4394 82.1366 -57.9035 73.9581 -57.9047 -133.651 GPRESSURE: 4016600 -133.472 -64.2422 89.4627 -37.0356 82.6625 -62.6785 82.972 4.05622 -128.947 PRESSAVG: 4016600 -58.8441 15.3601 28.6263 15.36 5.98952 8.93784 28.6263 8.93804 32.3297 GPRESSAVG: 4016600 -57.7295 15.5513 27.114 17.1774 4.99368 7.90344 30.6255 8.98355 32.5753 TIMING: 4016600 CPU: 11940.4, 0.00295663/step Wall: 11940.4, 0.00295663/step, 0.807653 hours remaining, 207.710938 MB of memory in use. ENERGY: 4016600 739.2553 2135.6644 1946.8771 107.1479 -206252.4215 17617.1102 0.0000 0.0000 34437.6233 -149268.7435 300.7523 -183706.3667 -149172.4981 299.5159 -98.6539 -59.9189 555924.5826 -6.8416 -6.7202 PRESSURE: 4016800 39.1747 -144.169 44.5248 -144.168 -303.176 -72.8403 44.5258 -72.8391 11.5522 GPRESSURE: 4016800 115.74 -97.7151 -41.2521 -192.187 -306.038 -102.044 47.1488 -58.4056 25.2102 PRESSAVG: 4016800 -48.2449 -45.6635 39.0863 -45.6636 -16.8818 -22.4706 39.0863 -22.4705 45.9373 GPRESSAVG: 4016800 -47.9669 -44.8841 39.4219 -48.3072 -16.7064 -22.9281 38.6626 -21.7708 45.8152 TIMING: 4016800 CPU: 11941, 0.00297561/step Wall: 11941, 0.00297561/step, 0.812672 hours remaining, 207.710938 MB of memory in use. ENERGY: 4016800 763.2521 2171.9828 1935.0072 114.7902 -206071.0001 17642.2457 0.0000 0.0000 34181.9680 -149261.7541 298.5196 -183443.7222 -149169.1052 299.2762 -84.1496 -55.0293 556893.9476 -6.3965 -6.2860 PRESSURE: 4017000 -124.076 53.2233 -78.1152 53.2246 -205.046 -143.49 -78.1152 -143.489 306.605 GPRESSURE: 4017000 -78.7048 73.4681 -62.2803 83.2771 -158.499 -94.8908 -95.894 -124.54 305.454 PRESSAVG: 4017000 33.3154 -14.0348 -6.35142 -14.0347 -2.6913 -88.2003 -6.35149 -88.2002 25.0605 GPRESSAVG: 4017000 32.9075 -15.8512 -6.06217 -11.751 -1.56349 -87.3118 -7.04396 -90.9068 24.3862 TIMING: 4017000 CPU: 11941.6, 0.00295514/step Wall: 11941.6, 0.00295514/step, 0.806917 hours remaining, 207.710938 MB of memory in use. ENERGY: 4017000 754.3503 2135.4954 1951.7250 120.0170 -205977.9285 17705.6229 0.0000 0.0000 34226.1093 -149084.6086 298.9051 -183310.7179 -148986.7358 299.6362 -7.5058 22.7498 556979.0422 18.5615 18.5767 PRESSURE: 4017200 -151.627 36.0981 4.20755 36.0987 77.3077 16.8603 4.20626 16.8615 -123.792 GPRESSURE: 4017200 -143.451 104.853 72.2524 34.9003 135.606 29.7761 -26.707 -64.1491 -101.19 PRESSAVG: 4017200 -24.8997 7.71132 -27.1843 7.71138 -19.4869 -16.9786 -27.1843 -16.9785 44.1371 GPRESSAVG: 4017200 -24.8886 8.57006 -28.7371 7.10383 -19.823 -17.1168 -26.5446 -16.5613 44.6949 TIMING: 4017200 CPU: 11942.1, 0.00294851/step Wall: 11942.1, 0.00294851/step, 0.804944 hours remaining, 207.710938 MB of memory in use. ENERGY: 4017200 713.4199 2143.3939 1930.3505 103.1960 -206009.3578 17433.3952 0.0000 0.0000 34370.7945 -149314.8077 300.1687 -183685.6022 -149225.1621 299.1372 -66.0372 -36.3450 555596.0734 -0.0832 -0.0055 PRESSURE: 4017400 129.465 79.0656 -79.2573 79.0643 -9.12817 47.6597 -79.2563 47.66 139.878 GPRESSURE: 4017400 159.952 86.1041 -157.925 114.201 33.7441 8.28541 -42.7036 86.7745 159.353 PRESSAVG: 4017400 17.3544 22.939 15.7413 22.939 -62.5385 -16.5479 15.7413 -16.5479 31.3758 GPRESSAVG: 4017400 16.8383 24.337 15.5435 21.764 -63.9851 -17.3647 17.3236 -15.88 33.4332 TIMING: 4017400 CPU: 11942.7, 0.00294686/step Wall: 11942.7, 0.00294686/step, 0.80433 hours remaining, 207.710938 MB of memory in use. ENERGY: 4017400 748.9479 2074.4279 1933.5993 109.2780 -206290.7506 17915.1026 0.0000 0.0000 34076.1875 -149433.2073 297.5958 -183509.3948 -149337.1147 298.9116 86.7385 117.6830 555408.7240 -4.6028 -4.5712 PRESSURE: 4017600 -79.2983 66.7386 144.008 66.7384 -329.44 -182.116 144.009 -182.116 79.163 GPRESSURE: 4017600 -34.9838 141.689 230.761 -23.5936 -270.221 -139.483 120.039 -118.967 72.73 PRESSAVG: 4017600 62.0329 34.4469 -31.1117 34.4469 -75.501 -13.9358 -31.1117 -13.9357 -12.9166 GPRESSAVG: 4017600 63.1999 29.935 -29.6382 37.1391 -75.5397 -13.7109 -32.0023 -13.5566 -13.6296 TIMING: 4017600 CPU: 11943.3, 0.00294513/step Wall: 11943.3, 0.00294513/step, 0.803693 hours remaining, 207.710938 MB of memory in use. ENERGY: 4017600 736.1222 2082.5136 1920.0523 106.7433 -206648.3340 17759.9233 0.0000 0.0000 34517.6238 -149525.3556 301.4510 -184042.9794 -149427.7136 298.7683 -109.8583 -77.4917 556919.2293 -8.7949 -8.6565 PRESSURE: 4017800 -45.2192 -32.511 56.6018 -32.5106 -42.5653 32.3518 56.6008 32.3514 34.0293 GPRESSURE: 4017800 -7.65059 -146.304 -5.13884 -22.4439 -23.12 27.6033 129.229 -10.2395 77.8522 PRESSAVG: 4017800 10.1344 -7.43287 13.6021 -7.43286 29.4395 36.4567 13.602 36.4568 -6.41193 GPRESSAVG: 4017800 10.7417 -5.18236 14.2627 -8.46728 29.1552 35.8539 13.0508 37.2016 -6.21162 TIMING: 4017800 CPU: 11943.9, 0.00294008/step Wall: 11943.9, 0.00294008/step, 0.802151 hours remaining, 207.710938 MB of memory in use. ENERGY: 4017800 732.0756 2113.8303 1929.9000 118.7566 -206579.0964 17870.1201 0.0000 0.0000 34212.2718 -149602.1421 298.7843 -183814.4139 -149503.0570 298.6295 -17.9184 15.6939 555972.9561 11.0540 11.2284 PRESSURE: 4018000 226.493 -118.539 107.59 -118.538 -156.942 -73.5413 107.591 -73.5397 -7.91011 GPRESSURE: 4018000 283.535 -105.421 84.3548 -51.3275 -151.308 -25.1015 149.708 -60.7414 23.5524 PRESSAVG: 4018000 18.5524 11.5243 6.87329 11.5243 62.7864 -42.2192 6.87332 -42.2191 -82.8643 GPRESSAVG: 4018000 17.6279 11.0909 8.86933 12.0312 64.2173 -42.7109 4.07154 -41.3595 -83.3091 TIMING: 4018000 CPU: 11944.5, 0.00293045/step Wall: 11944.5, 0.00293045/step, 0.799361 hours remaining, 207.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4018000 766.3572 2068.8758 1940.4644 124.3783 -206677.1273 17795.1925 0.0000 0.0000 34416.6017 -149565.2574 300.5687 -183981.8592 -149464.9573 299.0855 20.5469 51.9266 554934.3392 -0.5085 -0.4879 PRESSURE: 4018200 -110.219 -24.7505 60.2244 -24.7496 -80.9374 52.0989 60.2244 52.0981 -116.238 GPRESSURE: 4018200 -76.2974 -92.6761 37.0537 7.8304 -63.3745 -3.67308 111.932 19.2538 -72.0824 PRESSAVG: 4018200 -8.16746 -57.1814 45.9136 -57.1814 -14.1743 -6.08315 45.9137 -6.08309 -24.4554 GPRESSAVG: 4018200 -7.24081 -57.1758 41.0237 -55.693 -13.7685 -5.54903 50.0442 -9.99084 -26.3307 TIMING: 4018200 CPU: 11945.1, 0.00295475/step Wall: 11945.1, 0.00295475/step, 0.805826 hours remaining, 207.710938 MB of memory in use. ENERGY: 4018200 740.7297 2103.2598 1933.7719 110.3349 -206529.2927 17808.3618 0.0000 0.0000 34067.7477 -149765.0867 297.5221 -183832.8344 -149666.5203 298.4184 -102.4650 -70.5847 556909.9652 -15.5990 -15.7800 PRESSURE: 4018400 -249.867 -14.0917 -20.521 -14.0909 -156.165 32.6101 -20.5207 32.6103 -179.328 GPRESSURE: 4018400 -252.749 3.32744 -7.887 -37.0896 -149.436 12.8918 26.969 54.3809 -92.9696 PRESSAVG: 4018400 -19.7921 -32.1708 -20.5941 -32.1708 -41.9029 -9.10396 -20.5941 -9.10398 70.0444 GPRESSAVG: 4018400 -20.6272 -32.2893 -17.8262 -32.8735 -41.8309 -8.25624 -21.1249 -7.79891 71.1025 TIMING: 4018400 CPU: 11945.7, 0.00295214/step Wall: 11945.7, 0.00295214/step, 0.80495 hours remaining, 207.710938 MB of memory in use. ENERGY: 4018400 739.6458 2166.6138 1910.9849 121.0756 -206363.4260 17646.2013 0.0000 0.0000 34048.6006 -149730.3041 297.3549 -183778.9048 -149636.1236 298.1134 -195.1199 -165.0517 557226.7829 2.7832 2.8815 PRESSURE: 4018600 -113.586 -157.918 -189.001 -157.917 1.71363 35.5946 -188.999 35.5952 -11.279 GPRESSURE: 4018600 -77.963 -18.6494 -176.114 -240.854 9.42567 10.236 -212.502 110.358 37.4931 PRESSAVG: 4018600 -29.8464 -73.8683 -24.2221 -73.8683 -2.2783 -1.66295 -24.222 -1.66295 0.13361 GPRESSAVG: 4018600 -30.7187 -73.3244 -22.3243 -73.0514 -1.53032 -2.06175 -27.4277 -1.19966 0.0757099 TIMING: 4018600 CPU: 11946.3, 0.002949/step Wall: 11946.3, 0.002949/step, 0.80393 hours remaining, 207.710938 MB of memory in use. ENERGY: 4018600 710.3157 2074.5920 1916.7993 114.0455 -206711.0169 17890.5395 0.0000 0.0000 34175.3079 -149829.4170 298.4615 -184004.7250 -149721.6292 298.1057 -41.0504 -10.3481 556959.8107 -10.6637 -10.7244 PRESSURE: 4018800 -114.943 116.813 56.3755 116.812 -162.963 16.2169 56.3755 16.2167 -83.5945 GPRESSURE: 4018800 -105.527 80.456 66.6619 99.6709 -122.414 76.2011 81.4776 72.0319 -24.2547 PRESSAVG: 4018800 64.0108 -34.611 -30.1513 -34.611 -24.5022 -19.3727 -30.1514 -19.3728 -53.7971 GPRESSAVG: 4018800 63.6963 -33.9982 -32.2543 -36.39 -24.717 -19.6734 -27.2114 -19.0456 -53.8891 TIMING: 4018800 CPU: 11946.9, 0.002948/step Wall: 11946.9, 0.002948/step, 0.803493 hours remaining, 207.710938 MB of memory in use. ENERGY: 4018800 743.6457 2115.0838 1916.8103 120.2999 -206909.9103 17895.7307 0.0000 0.0000 34213.6624 -149904.6775 298.7964 -184118.3399 -149806.0602 298.6196 -120.5000 -84.0652 556539.5209 -4.7628 -4.9700 PRESSURE: 4019000 39.3694 25.2658 -88.9449 25.2654 -7.56112 56.5632 -88.9432 56.5624 83.806 GPRESSURE: 4019000 76.0834 64.1741 -54.0236 -16.0855 19.2094 48.5738 -110.683 106.876 129.713 PRESSAVG: 4019000 -1.36527 33.5401 -2.76964 33.54 6.35165 0.014883 -2.76967 0.0148589 -26.1829 GPRESSAVG: 4019000 0.0402566 32.8035 -3.52026 34.3929 4.33862 0.51472 -1.67096 -1.17486 -25.5402 TIMING: 4019000 CPU: 11947.4, 0.0029428/step Wall: 11947.4, 0.0029428/step, 0.801914 hours remaining, 207.710938 MB of memory in use. ENERGY: 4019000 730.4215 2065.1316 1936.6141 112.1062 -206388.8952 17736.7271 0.0000 0.0000 33988.0777 -149819.8171 296.8263 -183807.8948 -149730.1800 297.3829 38.5381 75.0019 556861.1858 -7.0655 -7.0538 PRESSURE: 4019200 -41.7035 106.138 64.8913 106.138 302.416 153.539 64.8925 153.538 39.5272 GPRESSURE: 4019200 -18.9284 171.831 79.0976 17.1933 346.531 189.404 -8.55957 117.716 72.0243 PRESSAVG: 4019200 -21.0991 31.9298 32.2706 31.9298 -38.9662 30.0153 32.2706 30.0153 40.6267 GPRESSAVG: 4019200 -20.1276 32.3542 31.6991 30.809 -38.6909 29.8531 30.5529 31.6081 39.2624 TIMING: 4019200 CPU: 11948, 0.0029264/step Wall: 11948, 0.0029264/step, 0.797283 hours remaining, 207.710938 MB of memory in use. ENERGY: 4019200 777.3787 2058.8107 1936.3840 111.9258 -206760.9660 18004.8974 0.0000 0.0000 34128.8794 -149742.6901 298.0560 -183871.5694 -149646.2130 298.0309 100.0798 133.2090 554935.0809 -6.4795 -6.5187 PRESSURE: 4019400 123.656 53.52 -149.977 53.5194 -218.517 -104.831 -149.977 -104.83 -126.403 GPRESSURE: 4019400 172.242 21.4088 -84.8891 105.755 -195.53 -89.1444 -85.4235 -72.1593 -90.4109 PRESSAVG: 4019400 62.8214 45.1066 -22.7551 45.1066 25.9571 -7.56723 -22.755 -7.56714 -26.4478 GPRESSAVG: 4019400 62.097 44.5043 -22.2957 46.295 25.1877 -6.47712 -22.126 -7.17219 -25.266 TIMING: 4019400 CPU: 11948.6, 0.00292536/step Wall: 11948.6, 0.00292536/step, 0.796835 hours remaining, 207.710938 MB of memory in use. ENERGY: 4019400 748.7180 2058.7667 1930.2771 115.9556 -206521.9284 17685.6510 0.0000 0.0000 34069.7575 -149912.8025 297.5397 -183982.5600 -149812.3247 297.4385 -73.7548 -37.8999 557404.5044 20.7769 20.6729 PRESSURE: 4019600 50.9027 69.1872 37.3852 69.188 34.8847 -15.2803 37.3856 -15.2809 -48.9489 GPRESSURE: 4019600 -7.91302 20.0619 51.2612 152.369 84.0354 47.8248 85.3458 -95.4273 51.908 PRESSAVG: 4019600 28.128 42.7699 -23.5777 42.7698 6.24314 4.34368 -23.5777 4.34371 -7.03674 GPRESSAVG: 4019600 26.1313 42.975 -24.217 42.5764 7.319 3.62539 -22.7636 2.01882 -6.32292 TIMING: 4019600 CPU: 11949.2, 0.00297402/step Wall: 11949.2, 0.00297402/step, 0.809923 hours remaining, 207.710938 MB of memory in use. ENERGY: 4019600 707.4335 2050.6572 1922.1296 105.7503 -206743.5008 17945.6599 0.0000 0.0000 34152.9736 -149858.8966 298.2664 -184011.8702 -149763.2370 297.2401 12.2795 42.6768 559009.7483 9.1115 9.0424 PRESSURE: 4019800 156.378 30.695 -109.277 30.6959 354.237 -85.5916 -109.277 -85.5922 411.717 GPRESSURE: 4019800 187.522 22.7711 -92.18 69.9123 377.706 11.2027 -120.212 -162.606 454.883 PRESSAVG: 4019800 -34.2522 24.2076 -23.4861 24.2076 50.2801 -23.6494 -23.486 -23.6493 37.8601 GPRESSAVG: 4019800 -33.8222 25.0301 -21.6737 24.8929 50.4166 -25.4453 -26.6567 -21.1007 37.2492 TIMING: 4019800 CPU: 11949.8, 0.00294161/step Wall: 11949.8, 0.00294161/step, 0.800936 hours remaining, 207.710938 MB of memory in use. ENERGY: 4019800 677.2095 2049.1442 1919.0137 113.4639 -207212.7733 18483.1565 0.0000 0.0000 34170.2279 -149800.5576 298.4171 -183970.7855 -149705.5367 298.0408 307.4438 340.0370 556443.5019 17.9626 17.9479 PRESSURE: 4020000 -30.12 3.59569 -2.44728 3.59607 -9.14589 33.9563 -2.44812 33.9579 -43.3308 GPRESSURE: 4020000 -8.42624 -2.87777 11.4513 28.6135 47.9714 43.0774 -22.168 -16.2552 -29.6082 PRESSAVG: 4020000 52.4048 9.93298 -38.1479 9.93296 -13.3007 -28.3604 -38.1479 -28.3603 -29.2196 GPRESSAVG: 4020000 54.9055 7.85143 -38.222 9.95182 -14.6449 -26.7886 -38.2867 -30.7883 -30.6985 TIMING: 4020000 CPU: 11950.4, 0.00294636/step Wall: 11950.4, 0.00294636/step, 0.802066 hours remaining, 207.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4020000 748.7504 2090.1340 1929.6090 105.9954 -206788.6614 18092.8481 0.0000 0.0000 34097.1423 -149724.1822 297.7788 -183821.3245 -149623.7996 297.9409 -27.5322 3.3123 556630.7181 3.2949 3.1873 PRESSURE: 4020200 46.9231 154.544 125.367 154.544 -137.992 110.268 125.367 110.269 -82.8341 GPRESSURE: 4020200 40.7155 140.481 66.191 225.806 -60.6535 145.947 151.995 81.9811 -64.7218 PRESSAVG: 4020200 -18.9601 -22.262 -15.0651 -22.262 -10.2411 3.16885 -15.0651 3.16871 5.2426 GPRESSAVG: 4020200 -20.0706 -20.5414 -17.2252 -23.2889 -8.29455 2.75621 -13.2043 4.09313 5.09369 TIMING: 4020200 CPU: 11951, 0.00294741/step Wall: 11951, 0.00294741/step, 0.802186 hours remaining, 207.710938 MB of memory in use. ENERGY: 4020200 720.8054 2104.3842 1954.4264 126.5600 -206588.0088 17768.6512 0.0000 0.0000 34025.6964 -149887.4852 297.1549 -183913.1815 -149785.8136 297.9233 -57.9677 -28.2199 556768.0107 -7.9862 -7.7572 LDB: ============= START OF LOAD BALANCING ============== 11954.5 LDB: ============== END OF LOAD BALANCING =============== 11954.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11954.5 LDB: ============= START OF LOAD BALANCING ============== 11954.8 LDB: Largest compute 4809 load 0.022586 is 19.1% of average load 0.118361 LDB: Average compute 0.001727 is 1.5% of average load 0.118361 LDB: TIME 11954.8 LOAD: AVG 0.118361 MAX 0.196753 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.762 MB LDB: TIME 11954.8 LOAD: AVG 0.118361 MAX 0.196753 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.961 MB LDB: TIME 11954.8 LOAD: AVG 0.118361 MAX 0.196753 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.961 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11954.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11954.8 PRESSURE: 4020400 -47.0555 -66.3193 27.6389 -66.3188 -154.721 -50.9759 27.6392 -50.9762 -212.766 GPRESSURE: 4020400 -14.7413 -23.6727 1.91419 -139.139 -118.116 27.1973 62.8719 -104.699 -181.892 PRESSAVG: 4020400 37.2089 12.0911 -3.79778 12.0912 6.20135 -64.8755 -3.79786 -64.8755 -109.909 GPRESSAVG: 4020400 37.5023 12.7171 -3.09495 11.3426 4.08755 -63.516 -4.0211 -65.6932 -107.93 TIMING: 4020400 CPU: 11951.6, 0.00300352/step Wall: 11951.6, 0.00300352/step, 0.817292 hours remaining, 207.507812 MB of memory in use. ENERGY: 4020400 732.0814 2090.9085 1941.2477 117.2632 -206262.3974 17578.2233 0.0000 0.0000 34108.1301 -149694.5431 297.8748 -183802.6732 -149599.2869 297.7800 -138.1809 -104.9163 555688.1881 -22.1663 -22.1134 PRESSURE: 4020600 -355.232 -65.3348 -55.3592 -65.3344 -113.805 -170.143 -55.3593 -170.144 -79.2988 GPRESSURE: 4020600 -373.415 -71.5595 -29.3043 -134.848 -73.8435 -135.449 -75.0506 -163.886 -5.31646 PRESSAVG: 4020600 10.389 -12.452 13.7901 -12.452 -33.1521 -45.9681 13.7901 -45.968 -6.45849 GPRESSAVG: 4020600 9.43896 -12.9385 12.5374 -11.5081 -31.782 -45.9504 12.0946 -45.5461 -7.04805 TIMING: 4020600 CPU: 11952.2, 0.00295987/step Wall: 11952.2, 0.00295987/step, 0.805249 hours remaining, 207.507812 MB of memory in use. ENERGY: 4020600 775.5436 2061.4984 1933.3125 112.1824 -206460.2703 17744.8464 0.0000 0.0000 34221.6188 -149611.2682 298.8659 -183832.8870 -149514.6614 297.9314 -182.7783 -150.8582 555869.7284 -9.7405 -9.7970 PRESSURE: 4020800 -132.558 -128.215 75.6901 -128.215 141.254 -189.324 75.6908 -189.327 -192.09 GPRESSURE: 4020800 -17.3578 -138.467 65.8824 -104.765 173.757 -135.417 55.5723 -173.773 -210.865 PRESSAVG: 4020800 -63.5225 -29.8099 16.8233 -29.8098 63.6294 3.0164 16.8232 3.01637 35.424 GPRESSAVG: 4020800 -62.1194 -30.1088 18.7226 -30.9065 63.5601 3.1697 18.0801 3.98185 34.3638 TIMING: 4020800 CPU: 11952.8, 0.00295908/step Wall: 11952.8, 0.00295908/step, 0.804871 hours remaining, 207.507812 MB of memory in use. ENERGY: 4020800 749.9764 2080.0142 1948.2931 110.9317 -206381.6417 17893.6923 0.0000 0.0000 34147.3058 -149451.4281 298.2169 -183598.7339 -149357.5233 298.6112 -61.1314 -18.1552 557238.3982 11.8436 11.9348 PRESSURE: 4021000 -154.622 159.658 54.6437 159.658 74.3172 38.7358 54.6445 38.7358 149.817 GPRESSURE: 4021000 -166.631 182.353 128.172 197.569 152.307 27.8476 -44.9391 48.5514 195.116 PRESSAVG: 4021000 -92.8523 4.92933 7.73801 4.92937 86.4842 -38.776 7.73815 -38.7759 18.3419 GPRESSAVG: 4021000 -92.7285 6.1665 6.94461 5.95584 85.8499 -38.8421 6.24614 -38.1818 18.3741 TIMING: 4021000 CPU: 11953.4, 0.00295901/step Wall: 11953.4, 0.00295901/step, 0.804685 hours remaining, 207.507812 MB of memory in use. ENERGY: 4021000 787.4315 2161.4377 1930.0456 107.9181 -206561.7346 18042.0904 0.0000 0.0000 34224.3741 -149308.4371 298.8900 -183532.8113 -149208.5567 299.4604 23.1705 60.2639 557454.3296 3.9913 3.8318 PRESSURE: 4021200 -242.717 78.9837 11.7349 78.9829 -275.375 93.3611 11.7346 93.3625 -143.701 GPRESSURE: 4021200 -187.936 61.2774 4.01657 138.788 -262.419 34.9151 -33.2496 78.9691 -128.592 PRESSAVG: 4021200 -16.9441 -62.3449 12.1886 -62.3449 39.2595 11.1315 12.1886 11.1316 -37.0751 GPRESSAVG: 4021200 -17.3452 -62.7966 10.0181 -62.9286 38.7233 11.9863 14.3726 9.40068 -36.521 TIMING: 4021200 CPU: 11954, 0.00298444/step Wall: 11954, 0.00298444/step, 0.811436 hours remaining, 207.507812 MB of memory in use. ENERGY: 4021200 779.2114 2198.8029 1941.5036 114.1472 -205839.8554 17453.0610 0.0000 0.0000 34135.8518 -149217.2775 298.1169 -183353.1293 -149124.5387 299.6967 -220.5980 -192.9825 557470.9049 -4.9199 -5.0476 PRESSURE: 4021400 159.602 -40.2666 112.273 -40.2665 459.505 -61.1557 112.273 -61.1554 -118.014 GPRESSURE: 4021400 190.554 -30.6613 101.516 -36.6177 525.223 -11.7237 106.73 -52.5275 -113.177 PRESSAVG: 4021400 -32.5413 5.7668 0.00168104 5.76682 103.016 53.6838 0.00168563 53.6837 -37.2936 GPRESSAVG: 4021400 -32.0128 6.16809 2.54326 5.96784 103.19 52.1396 -1.08709 54.5751 -37.5294 TIMING: 4021400 CPU: 11954.5, 0.00297084/step Wall: 11954.5, 0.00297084/step, 0.807574 hours remaining, 207.507812 MB of memory in use. ENERGY: 4021400 761.9098 2096.1229 1936.1506 122.4725 -206585.8162 18249.6723 0.0000 0.0000 34206.1380 -149213.3501 298.7307 -183419.4881 -149117.9053 299.3581 167.0314 200.8665 557661.5360 11.0604 11.2160 PRESSURE: 4021600 -120.623 -45.1502 -87.2844 -45.1505 -80.6326 14.8514 -87.2851 14.8513 189.377 GPRESSURE: 4021600 -88.4277 -22.7032 19.3109 -25.9972 -52.4529 -18.3138 -75.2292 25.8365 228.793 PRESSAVG: 4021600 -28.5592 -32.7018 73.0568 -32.7018 61.6467 13.3168 73.0568 13.3168 -38.7558 GPRESSAVG: 4021600 -29.0931 -33.7891 74.1052 -31.209 62.6096 13.5708 73.3268 14.208 -38.5265 TIMING: 4021600 CPU: 11955.1, 0.00293364/step Wall: 11955.1, 0.00293364/step, 0.797297 hours remaining, 207.507812 MB of memory in use. ENERGY: 4021600 767.6585 2098.3591 1947.1416 131.4926 -206382.6151 17882.6761 0.0000 0.0000 34173.7908 -149381.4964 298.4482 -183555.2872 -149286.9267 298.2442 -3.9595 29.3040 557713.8527 -1.8895 -1.6700 PRESSURE: 4021800 159.964 94.1565 -59.785 94.1566 -79.3422 140.947 -59.7865 140.946 -116.025 GPRESSURE: 4021800 119.533 35.5318 -66.7259 166.735 0.391217 141 -47.3167 82.873 -64.4395 PRESSAVG: 4021800 -60.2992 -6.38511 48.4658 -6.38499 20.8349 19.0014 48.4657 19.0013 25.5759 GPRESSAVG: 4021800 -59.4147 -6.12946 48.8803 -4.48876 20.3215 19.485 46.8459 17.8545 24.8624 TIMING: 4021800 CPU: 11955.7, 0.00294285/step Wall: 11955.7, 0.00294285/step, 0.799638 hours remaining, 207.507812 MB of memory in use. ENERGY: 4021800 718.3082 2188.2263 1921.9442 119.6659 -206473.8902 17967.8180 0.0000 0.0000 34020.6005 -149537.3272 297.1104 -183557.9277 -149436.3213 298.2651 -11.8011 18.4949 557739.1587 -4.6295 -4.7436 PRESSURE: 4022000 -203.456 86.5373 14.9476 86.5381 -104.685 -41.5396 14.9482 -41.5399 -125.476 GPRESSURE: 4022000 -144.466 163.362 34.0652 3.34827 -112.656 24.1835 41.6284 51.7791 -66.1377 PRESSAVG: 4022000 -2.55571 20.1844 13.541 20.1845 51.5997 -21.7067 13.541 -21.7067 -16.631 GPRESSAVG: 4022000 -2.87128 20.128 10.3322 18.4801 52.4506 -19.3058 18.1613 -20.1502 -16.8309 TIMING: 4022000 CPU: 11956.3, 0.00292311/step Wall: 11956.3, 0.00292311/step, 0.794111 hours remaining, 207.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4022000 733.6756 2091.9157 1955.1582 115.6678 -206122.9403 17647.3192 0.0000 0.0000 34138.2132 -149440.9906 298.1375 -183579.2037 -149343.5851 298.9699 -144.5392 -107.7533 558163.0661 10.8043 10.9162 PRESSURE: 4022200 -4.74948 89.0817 111.676 89.0823 84.9562 41.9775 111.676 41.9783 370.581 GPRESSURE: 4022200 97.4455 89.0797 144.525 30.9193 126.425 21.695 94.6723 135.533 332.798 PRESSAVG: 4022200 -4.98472 14.0156 58.3022 14.0155 39.5207 8.23497 58.3022 8.23502 -6.17698 GPRESSAVG: 4022200 -6.12702 14.0993 58.3354 13.8834 39.5683 5.0691 58.2181 7.75452 -6.04817 TIMING: 4022200 CPU: 11956.9, 0.00292541/step Wall: 11956.9, 0.00292541/step, 0.794575 hours remaining, 207.507812 MB of memory in use. ENERGY: 4022200 747.5384 2099.4025 1926.3764 109.7521 -206841.5929 17995.4546 0.0000 0.0000 34396.0451 -149567.0236 300.3892 -183963.0687 -149481.3623 298.4528 150.2624 185.5562 554779.6426 9.4530 9.1310 PRESSURE: 4022400 220.171 104.767 27.2513 104.767 141.88 13.8259 27.2507 13.827 66.5549 GPRESSURE: 4022400 247.445 172.743 6.25297 41.2004 172.982 9.07246 -44.484 45.8547 99.2761 PRESSAVG: 4022400 33.715 81.8984 4.50519 81.8985 5.6627 -12.2924 4.50521 -12.2924 -47.8659 GPRESSAVG: 4022400 34.091 79.7629 6.03487 82.6955 5.62178 -11.019 1.13843 -11.3257 -48.1454 TIMING: 4022400 CPU: 11957.5, 0.00291768/step Wall: 11957.5, 0.00291768/step, 0.792312 hours remaining, 207.507812 MB of memory in use. ENERGY: 4022400 740.0036 2145.2025 1935.6892 110.3155 -206927.1495 18048.0058 0.0000 0.0000 34357.3440 -149590.5890 300.0512 -183947.9330 -149499.0176 298.3300 142.8684 173.2345 555766.0748 -2.8294 -2.8109 PRESSURE: 4022600 -189.994 2.58952 51.1192 2.5916 351.198 15.1856 51.1191 15.1854 71.4665 GPRESSURE: 4022600 -144.794 -11.4479 51.3159 74.1295 307.006 -45.1775 74.2624 -24.1364 159.803 PRESSAVG: 4022600 -11.5169 62.9952 38.023 62.9952 10.6349 -22.3036 38.023 -22.3037 68.1102 GPRESSAVG: 4022600 -11.8745 65.6791 37.4125 63.7036 8.82075 -23.7989 41.3881 -22.9474 70.1233 TIMING: 4022600 CPU: 11958.1, 0.00293656/step Wall: 11958.1, 0.00293656/step, 0.797275 hours remaining, 207.507812 MB of memory in use. ENERGY: 4022600 735.2544 2106.4718 1939.5560 120.5842 -206318.9051 17923.4126 0.0000 0.0000 34013.3686 -149480.2575 297.0472 -183493.6260 -149377.8702 298.5501 77.5568 107.3383 557236.6952 22.4094 22.3565 PRESSURE: 4022800 -173.928 -17.2233 22.1976 -17.2224 -42.9882 66.6327 22.1974 66.6296 -136.173 GPRESSURE: 4022800 -218.781 -30.2451 25.4806 -4.23806 35.9318 63.1686 -46.5082 9.29545 -77.4319 PRESSAVG: 4022800 -11.6425 11.598 7.49074 11.5981 44.939 4.28473 7.49084 4.2847 -54.0874 GPRESSAVG: 4022800 -10.9747 11.6844 4.60533 9.51238 45.2213 5.92634 7.85713 1.87562 -55.3815 TIMING: 4022800 CPU: 11958.7, 0.00293415/step Wall: 11958.7, 0.00293415/step, 0.79646 hours remaining, 207.507812 MB of memory in use. ENERGY: 4022800 721.9371 2131.9469 1920.8387 101.7678 -206152.3372 17480.7742 0.0000 0.0000 34364.6543 -149430.4183 300.1151 -183795.0726 -149336.7865 298.8718 -117.6963 -86.7604 557887.3913 -6.9303 -7.0450 PRESSURE: 4023000 -167.813 -38.2756 31.6319 -38.275 -121.502 6.68771 31.6324 6.68721 -158.419 GPRESSURE: 4023000 -60.8994 -68.7867 11.1812 61.603 -133.112 -84.4991 -46.2887 9.55793 -159.13 PRESSAVG: 4023000 -17.1887 8.84788 56.7507 8.84785 72.1325 -10.4314 56.7508 -10.4313 -57.8994 GPRESSAVG: 4023000 -17.0533 9.74147 58.1661 10.5488 72.6074 -10.7367 55.2137 -7.27582 -58.2576 TIMING: 4023000 CPU: 11959.2, 0.00290943/step Wall: 11959.2, 0.00290943/step, 0.789588 hours remaining, 207.507812 MB of memory in use. ENERGY: 4023000 750.9468 2053.1859 1953.7283 114.1650 -206178.7435 17667.0802 0.0000 0.0000 34234.6817 -149404.9555 298.9800 -183639.6372 -149304.6531 299.1069 -149.2445 -117.7137 558896.0234 -0.9852 -0.9011 PRESSURE: 4023200 198.277 -19.6736 98.7039 -19.6739 -119.546 -161.59 98.7045 -161.591 94.0821 GPRESSURE: 4023200 241.329 -14.2287 193.343 -76.5146 -68.0595 -260.392 -27.059 -172.367 86.5604 PRESSAVG: 4023200 82.1055 -29.1557 26.5314 -29.1557 -18.5989 -20.4599 26.5315 -20.4598 -50.5369 GPRESSAVG: 4023200 81.8949 -27.6436 26.938 -32.1842 -18.9671 -20.8937 26.9408 -19.3934 -49.9728 TIMING: 4023200 CPU: 11959.8, 0.00291496/step Wall: 11959.8, 0.00291496/step, 0.790925 hours remaining, 207.507812 MB of memory in use. ENERGY: 4023200 750.9690 2115.5544 1935.1719 110.8142 -206429.0263 17876.8001 0.0000 0.0000 34358.2324 -149281.4844 300.0590 -183639.7168 -149192.5684 299.1378 57.6044 86.6100 557254.6443 4.3232 4.3183 PRESSURE: 4023400 108.956 -142.419 -56.4489 -142.42 -216.732 -20.4059 -56.4485 -20.4067 53.7311 GPRESSURE: 4023400 88.4944 -225.133 -67.367 -132.648 -118.561 7.17905 40.4774 -55.9483 84.4681 PRESSAVG: 4023400 95.0815 -6.27869 9.67827 -6.27879 -47.9631 -59.4479 9.67833 -59.4479 -59.175 GPRESSAVG: 4023400 93.9257 -7.8857 9.769 -3.99113 -47.1905 -60.3437 10.058 -62.451 -58.0515 TIMING: 4023400 CPU: 11960.4, 0.00290802/step Wall: 11960.4, 0.00290802/step, 0.78888 hours remaining, 207.507812 MB of memory in use. ENERGY: 4023400 767.5191 2066.0258 1966.0278 115.9864 -206530.9565 17939.4729 0.0000 0.0000 34331.5348 -149344.3898 299.8258 -183675.9245 -149238.0906 298.5823 -18.0149 18.1339 557444.5291 -4.0189 -3.7721 PRESSURE: 4023600 -127.721 93.514 17.0325 93.5134 39.1227 89.9356 17.032 89.9343 -232.89 GPRESSURE: 4023600 -20.9293 -10.7041 38.5941 120.24 22.0716 18.9702 9.66998 167.789 -226.896 PRESSAVG: 4023600 64.1783 -14.567 72.3104 -14.567 73.988 -29.941 72.3104 -29.9409 -104.182 GPRESSAVG: 4023600 66.4065 -12.9158 72.6385 -16.035 72.6792 -28.6452 71.8737 -29.0305 -104.475 TIMING: 4023600 CPU: 11961, 0.00293594/step Wall: 11961, 0.00293594/step, 0.796292 hours remaining, 207.507812 MB of memory in use. ENERGY: 4023600 702.0591 2100.0423 1963.5147 121.0894 -206413.5491 17844.8404 0.0000 0.0000 34334.1448 -149347.8584 299.8486 -183682.0032 -149250.3035 298.8437 -107.1627 -75.2511 558790.2552 11.3283 11.5368 PRESSURE: 4023800 175.111 -64.6064 69.3167 -64.6059 -64.5952 -32.5171 69.3164 -32.5168 56.6267 GPRESSURE: 4023800 197.861 -145.88 -13.574 26.6541 -29.1063 -57.9398 80.3559 -41.9159 98.7965 PRESSAVG: 4023800 26.6136 3.96247 6.36282 3.96254 -41.0231 -7.26691 6.3628 -7.26696 -10.8674 GPRESSAVG: 4023800 25.1357 3.63956 5.70966 3.69038 -39.4866 -7.40403 6.64725 -6.4887 -11.0829 TIMING: 4023800 CPU: 11961.6, 0.00293134/step Wall: 11961.6, 0.00293134/step, 0.794882 hours remaining, 207.507812 MB of memory in use. ENERGY: 4023800 734.9658 2082.7337 1950.4077 113.4696 -206606.1410 17953.6351 0.0000 0.0000 34236.4914 -149534.4376 298.9958 -183770.9290 -149443.9483 298.5613 55.7143 89.1836 557304.4265 -8.4256 -8.4779 PRESSURE: 4024000 -60.7578 39.8742 -103.297 39.8759 47.3112 -63.9964 -103.297 -63.9969 -309.748 GPRESSURE: 4024000 2.67216 10.8264 -147.65 106.342 37.399 -25.3361 -104.148 -81.7433 -263.214 PRESSAVG: 4024000 109.196 -34.2974 12.9344 -34.2973 43.075 14.6691 12.9346 14.669 -119.688 GPRESSAVG: 4024000 109.842 -35.7228 12.6437 -32.0516 43.3446 14.1933 11.7524 13.1864 -120.57 TIMING: 4024000 CPU: 11962.2, 0.00295103/step Wall: 11962.2, 0.00295103/step, 0.800057 hours remaining, 207.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4024000 768.8963 2160.4595 1924.4107 116.7231 -206401.1823 17902.6234 0.0000 0.0000 34025.4819 -149502.5875 297.1530 -183528.0694 -149408.7247 297.9518 -107.7316 -74.3809 558752.3046 10.8610 10.8722 PRESSURE: 4024200 -15.4286 202.603 39.8025 202.601 -58.7642 -115.472 39.8031 -115.472 24.6201 GPRESSURE: 4024200 41.4596 174.45 140.638 228.436 -27.2942 -71.1618 -7.25779 -86.2765 33.2475 PRESSAVG: 4024200 17.8898 33.203 -2.97765 33.2029 2.68943 31.6415 -2.97771 31.6416 -18.6656 GPRESSAVG: 4024200 17.1605 34.418 -2.90868 30.6255 0.95036 32.9605 -1.41851 31.0685 -16.1968 TIMING: 4024200 CPU: 11962.8, 0.00297604/step Wall: 11962.8, 0.00297604/step, 0.806671 hours remaining, 207.507812 MB of memory in use. ENERGY: 4024200 785.6465 2112.3359 1907.8966 110.7138 -206684.4797 17888.5942 0.0000 0.0000 34320.8322 -149558.4606 299.7324 -183879.2928 -149462.1192 298.7779 -16.5243 15.8043 557094.9747 0.6379 0.6380 LDB: ============= START OF LOAD BALANCING ============== 11966.3 LDB: ============== END OF LOAD BALANCING =============== 11966.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11966.3 LDB: ============= START OF LOAD BALANCING ============== 11966.6 LDB: Largest compute 4809 load 0.020762 is 17.5% of average load 0.118310 LDB: Average compute 0.001715 is 1.4% of average load 0.118310 LDB: TIME 11966.6 LOAD: AVG 0.11831 MAX 0.196342 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.672 MB LDB: TIME 11966.6 LOAD: AVG 0.11831 MAX 0.196342 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 11966.6 LOAD: AVG 0.11831 MAX 0.196342 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11966.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11966.6 PRESSURE: 4024400 -182.896 -67.2649 80.4088 -67.265 27.6305 31.7223 80.4107 31.7222 -32.1994 GPRESSURE: 4024400 -156.201 -141.84 17.1329 -30.4913 44.4149 91.9901 67.5152 94.9353 20.854 PRESSAVG: 4024400 -37.7661 13.5218 -13.3341 13.5218 43.6816 -36.4928 -13.3342 -36.4928 32.4095 GPRESSAVG: 4024400 -37.3659 10.2288 -13.3507 15.7775 44.1775 -36.354 -14.4105 -36.1208 31.0776 TIMING: 4024400 CPU: 11963.4, 0.00300514/step Wall: 11963.4, 0.00300514/step, 0.814394 hours remaining, 207.316406 MB of memory in use. ENERGY: 4024400 771.6110 2086.8093 1954.6090 117.8589 -206608.9113 18031.5334 0.0000 0.0000 34005.0577 -149641.4319 296.9746 -183646.4896 -149541.8737 298.1702 -62.4882 -30.3108 559581.2977 12.7750 12.6298 PRESSURE: 4024600 -207.464 101.462 18.3976 101.463 95.7626 96.4566 18.3967 96.4559 -142.511 GPRESSURE: 4024600 -120.819 38.7991 90.7086 86.8642 101.703 79.8773 -101.055 70.2583 -147.492 PRESSAVG: 4024600 0.792229 11.8743 -0.400232 11.8743 11.2754 -22.4524 -0.400282 -22.4524 -15.8169 GPRESSAVG: 4024600 0.829724 12.636 0.585932 9.62151 10.8604 -24.796 -1.25264 -21.5618 -15.896 TIMING: 4024600 CPU: 11963.9, 0.00294658/step Wall: 11963.9, 0.00294658/step, 0.798361 hours remaining, 207.316406 MB of memory in use. ENERGY: 4024600 743.2783 2099.4897 1952.7132 122.9171 -206607.6900 17716.5698 0.0000 0.0000 34236.8296 -149735.8923 298.9987 -183972.7219 -149627.4363 298.1804 -84.7375 -55.5359 558264.8284 -1.2497 -1.4020 PRESSURE: 4024800 -32.8475 -65.7007 77.6941 -65.7 -263.312 -9.06658 77.6942 -9.0675 100.896 GPRESSURE: 4024800 10.2504 -102.793 81.5285 -103.71 -230.014 10.1627 26.8745 -16.9401 113.346 PRESSAVG: 4024800 -57.6274 -0.34261 44.9809 -0.342728 65.4828 56.485 44.9808 56.4851 -36.5521 GPRESSAVG: 4024800 -57.5119 -1.02045 42.3817 -0.178148 66.0312 58.0928 44.918 56.6996 -36.9155 TIMING: 4024800 CPU: 11964.5, 0.0029328/step Wall: 11964.5, 0.0029328/step, 0.794462 hours remaining, 207.316406 MB of memory in use. ENERGY: 4024800 740.4277 2109.1451 1949.6508 112.3323 -206711.1447 17920.4864 0.0000 0.0000 34057.2436 -149821.8587 297.4304 -183879.1023 -149719.9109 298.5621 -65.0879 -35.4725 557291.6594 -9.5656 -9.4654 PRESSURE: 4025000 128.212 -46.6503 -74.6663 -46.6516 -282.794 -50.5669 -74.6667 -50.5676 -37.2609 GPRESSURE: 4025000 97.2301 -91.8871 -151.314 -99.356 -151.9 -49.866 -122.638 -34.1982 -41.5423 PRESSAVG: 4025000 -31.7684 -38.7423 57.2495 -38.7422 11.724 -12.1929 57.2495 -12.193 3.0358 GPRESSAVG: 4025000 -31.5166 -37.8829 58.9013 -38.2119 11.2856 -12.9565 57.5545 -11.4252 2.71328 TIMING: 4025000 CPU: 11965.1, 0.00293531/step Wall: 11965.1, 0.00293531/step, 0.794981 hours remaining, 207.316406 MB of memory in use. ENERGY: 4025000 717.3297 2082.4722 1935.7142 118.7341 -206289.0688 17657.3812 0.0000 0.0000 34009.0097 -149768.4276 297.0091 -183777.4373 -149680.9678 297.3144 -63.9478 -32.0707 556347.3597 -5.6695 -5.8392 PRESSURE: 4025200 105.569 111.285 -138.91 111.285 -165.572 53.2921 -138.909 53.2919 144.726 GPRESSURE: 4025200 140.051 194.264 -133.936 81.2631 -89.3546 55.1141 -103.892 22.7991 141.855 PRESSAVG: 4025200 33.1725 -3.4585 -48.299 -3.45855 -21.5902 15.1061 -48.2989 15.1061 42.512 GPRESSAVG: 4025200 33.596 -0.82372 -48.6458 -3.01716 -22.9542 17.4991 -47.7795 11.576 43.5261 TIMING: 4025200 CPU: 11965.7, 0.00292968/step Wall: 11965.7, 0.00292968/step, 0.793293 hours remaining, 207.316406 MB of memory in use. ENERGY: 4025200 713.1764 2024.7663 1915.8596 112.9039 -206685.9187 17907.9451 0.0000 0.0000 34091.3736 -149919.8939 297.7284 -184011.2674 -149819.3010 297.8035 28.2408 64.1840 556198.5355 18.0314 18.0560 PRESSURE: 4025400 -68.7294 26.8824 -0.818881 26.8829 -99.2938 -7.73067 -0.819673 -7.73039 -199.421 GPRESSURE: 4025400 -48.0098 40.7995 -84.4908 71.4997 -72.6992 3.17247 -8.46878 32.2582 -156.817 PRESSAVG: 4025400 24.4336 2.71853 -19.1127 2.71846 -117.164 -37.9148 -19.1127 -37.9148 107.052 GPRESSAVG: 4025400 24.258 1.11486 -18.9782 3.88794 -116.121 -38.65 -21.2439 -37.6077 105.612 TIMING: 4025400 CPU: 11966.3, 0.00295695/step Wall: 11966.3, 0.00295695/step, 0.800513 hours remaining, 207.316406 MB of memory in use. ENERGY: 4025400 751.3919 2109.7020 1957.9712 121.9852 -206276.3662 17721.1942 0.0000 0.0000 33934.0204 -149680.1014 296.3542 -183614.1218 -149588.1885 297.9620 -122.4814 -92.5086 559416.7950 4.7737 4.5828 PRESSURE: 4025600 224.214 -237.99 -9.27914 -237.99 173.001 88.1947 -9.27925 88.1927 245.019 GPRESSURE: 4025600 200.105 -210.677 17.926 -256.848 200.847 38.3717 39.1729 30.1639 340.927 PRESSAVG: 4025600 -29.5742 12.4322 -5.47103 12.4322 23.5171 -6.92418 -5.47111 -6.9241 -22.5938 GPRESSAVG: 4025600 -30.2408 13.1161 -6.76441 10.7901 24.2005 -6.92175 -3.53811 -6.65535 -22.8184 TIMING: 4025600 CPU: 11966.9, 0.00295319/step Wall: 11966.9, 0.00295319/step, 0.799331 hours remaining, 207.316406 MB of memory in use. ENERGY: 4025600 711.1897 2047.8308 1946.5369 104.6721 -207016.0867 18206.5400 0.0000 0.0000 34402.0953 -149597.2220 300.4421 -183999.3173 -149506.8171 298.1141 214.0778 247.2929 556707.7770 -9.5503 -9.6196 PRESSURE: 4025800 43.7503 -130.75 -90.0227 -130.749 239.075 146.94 -90.0211 146.939 -4.34611 GPRESSURE: 4025800 128.406 -74.4439 28.1655 -101.786 219.144 150.266 -158.07 197.304 37.7221 PRESSAVG: 4025800 4.70885 -54.3909 12.6745 -54.3909 8.73705 11.9094 12.6745 11.9094 -15.6797 GPRESSAVG: 4025800 3.68394 -54.8191 14.9441 -54.2875 8.35687 9.05616 11.3897 12.3001 -14.8513 TIMING: 4025800 CPU: 11967.5, 0.00294217/step Wall: 11967.5, 0.00294217/step, 0.796184 hours remaining, 207.316406 MB of memory in use. ENERGY: 4025800 727.4546 2062.5386 1955.8967 123.5439 -206451.1520 18005.1654 0.0000 0.0000 34054.3920 -149522.1609 297.4055 -183576.5529 -149427.4141 298.4521 92.8265 128.4238 557061.3325 -0.7446 -0.9368 PRESSURE: 4026000 -368.544 -254.949 156.885 -254.948 -257.757 81.3643 156.886 81.3659 -3.09835 GPRESSURE: 4026000 -337.355 -308.522 98.3878 -241.012 -208.251 59.0288 216.4 59.3531 7.44178 PRESSAVG: 4026000 34.767 -14.1149 -6.66658 -14.1149 8.03908 -3.25781 -6.66655 -3.25783 -29.6384 GPRESSAVG: 4026000 35.9797 -13.3036 -7.51516 -13.9402 6.8474 0.654232 -5.79906 -5.88395 -29.5856 TIMING: 4026000 CPU: 11968.1, 0.00297281/step Wall: 11968.1, 0.00297281/step, 0.804312 hours remaining, 207.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4026000 742.4234 2107.0421 1948.7767 119.1118 -206226.1569 17538.3719 0.0000 0.0000 34386.4111 -149384.0198 300.3051 -183770.4309 -149286.1404 299.1774 -209.8000 -179.3881 558081.4164 4.3892 4.4138 PRESSURE: 4026200 -181.82 -24.7031 119.229 -24.703 -177.001 -48.9116 119.229 -48.9132 -107.161 GPRESSURE: 4026200 -137.086 -63.1936 93.2727 -56.5147 -151.154 -43.4237 42.33 -88.9904 -60.9123 PRESSAVG: 4026200 11.7519 -9.91926 -49.6757 -9.91923 8.11411 -25.156 -49.6758 -25.1559 -33.0398 GPRESSAVG: 4026200 11.1993 -10.3513 -47.703 -9.97347 8.21074 -27.6821 -50.4696 -22.1764 -32.0136 TIMING: 4026200 CPU: 11968.7, 0.00295083/step Wall: 11968.7, 0.00295082/step, 0.798198 hours remaining, 207.316406 MB of memory in use. ENERGY: 4026200 748.6589 2051.2866 1989.3516 128.2515 -206351.8013 17796.3819 0.0000 0.0000 34277.8785 -149359.9923 299.3572 -183637.8707 -149258.4077 299.7898 -155.3275 -116.3843 558233.2343 -4.3913 -4.2012 PRESSURE: 4026400 88.9636 273.653 81.2123 273.653 104.055 114.197 81.2115 114.197 -23.8361 GPRESSURE: 4026400 86.1331 294.345 60.1984 243.466 151.896 87.4229 52.5345 96.8337 21.0795 PRESSAVG: 4026400 4.2274 -26.636 15.2222 -26.636 52.5425 53.1542 15.2222 53.1542 -31.4974 GPRESSAVG: 4026400 4.39389 -26.9756 14.2245 -27.6819 52.5841 53.2585 15.0605 54.6869 -32.1024 TIMING: 4026400 CPU: 11969.2, 0.00294413/step Wall: 11969.2, 0.00294413/step, 0.796222 hours remaining, 207.316406 MB of memory in use. ENERGY: 4026400 753.1670 2110.8705 1957.9223 112.5731 -206506.7729 17797.5473 0.0000 0.0000 34341.3489 -149433.3438 299.9115 -183774.6927 -149330.5585 299.6838 56.3942 86.3695 556311.7204 8.4242 8.2919 PRESSURE: 4026600 27.61 -29.7024 -70.7945 -29.7019 127.952 10.585 -70.7932 10.5857 -204.888 GPRESSURE: 4026600 46.6824 -35.7016 -53.36 -87.4862 199.179 41.841 -136.899 -25.9637 -196.166 PRESSAVG: 4026600 15.1813 -4.49071 -6.06805 -4.49074 -12.3697 46.6715 -6.06799 46.6714 12.854 GPRESSAVG: 4026600 14.3897 -5.16449 -4.56034 -2.06337 -10.0689 47.9887 -8.67559 43.162 12.0353 TIMING: 4026600 CPU: 11969.8, 0.0029606/step Wall: 11969.8, 0.0029606/step, 0.800512 hours remaining, 207.316406 MB of memory in use. ENERGY: 4026600 708.9621 2115.8418 1956.1306 126.1308 -206127.5616 17715.3007 0.0000 0.0000 34167.5744 -149337.6211 298.3939 -183505.1955 -149241.5475 299.3153 -16.4422 16.5651 557926.3067 5.2218 5.4520 PRESSURE: 4026800 -231.278 -40.0879 6.37126 -40.089 -171.755 -11.5624 6.36967 -11.5645 -289.863 GPRESSURE: 4026800 -157.305 -16.7966 27.7347 -4.34514 -203.035 -6.58228 14.6906 -106.403 -245.676 PRESSAVG: 4026800 -11.57 -1.27262 2.17466 -1.27267 -3.5415 -14.8791 2.17471 -14.8791 -0.887638 GPRESSAVG: 4026800 -10.4653 0.913026 1.14084 -2.3626 -5.48412 -16.5205 3.95091 -13.9237 0.319931 TIMING: 4026800 CPU: 11970.4, 0.00294282/step Wall: 11970.4, 0.00294282/step, 0.795544 hours remaining, 207.316406 MB of memory in use. ENERGY: 4026800 741.4318 2165.2926 1961.2344 113.9234 -206137.3636 17496.2879 0.0000 0.0000 34519.6378 -149139.5556 301.4686 -183659.1934 -149047.7737 299.9836 -230.9654 -202.0054 558415.3990 -5.3331 -5.2098 PRESSURE: 4027000 146.238 110.002 -65.4401 110.002 22.2024 125.916 -65.4402 125.917 186.846 GPRESSURE: 4027000 146.371 104.44 -16.5636 139.95 70.1423 137.095 -109.945 98.9296 243.762 PRESSAVG: 4027000 -7.88281 49.5486 0.954763 49.5486 -18.9757 24.425 0.954828 24.425 5.78203 GPRESSAVG: 4027000 -7.34627 46.573 0.866714 51.8429 -19.6735 23.6127 1.45582 27.2653 5.37228 TIMING: 4027000 CPU: 11971, 0.00293719/step Wall: 11971, 0.00293719/step, 0.793858 hours remaining, 207.316406 MB of memory in use. ENERGY: 4027000 720.5014 2068.8216 1965.9539 119.4881 -206258.1974 17864.4032 0.0000 0.0000 34281.4115 -149237.6176 299.3881 -183519.0291 -149143.5005 299.6132 118.4288 153.4249 557288.5071 -7.0255 -7.2158 PRESSURE: 4027200 195.655 -31.4387 -66.5216 -31.4384 23.6921 127.989 -66.5211 127.988 13.6111 GPRESSURE: 4027200 279.931 -5.51677 -111.315 -101.033 -4.91221 69.9368 -7.28914 97.9793 63.8684 PRESSAVG: 4027200 -1.79745 24.1115 -34.9837 24.1114 8.2904 83.2823 -34.9835 83.2823 -29.8538 GPRESSAVG: 4027200 -2.09986 25.3308 -36.8701 23.0584 7.94033 82.4195 -33.4664 82.3806 -28.77 TIMING: 4027200 CPU: 11971.6, 0.00296126/step Wall: 11971.6, 0.00296126/step, 0.800199 hours remaining, 207.316406 MB of memory in use. ENERGY: 4027200 702.2563 2080.8658 1924.7369 115.8216 -206256.8930 17901.7178 0.0000 0.0000 34202.6929 -149328.8017 298.7006 -183531.4946 -149231.5916 299.2814 77.6528 112.9624 556408.6527 -7.7869 -7.6432 PRESSURE: 4027400 -43.9162 73.7815 -21.036 73.7824 -303.69 66.5013 -21.0344 66.5036 -292.389 GPRESSURE: 4027400 -41.1537 66.8102 12.2083 13.5341 -292.841 -9.80159 -15.7462 89.1262 -217.67 PRESSAVG: 4027400 -12.5537 -14.7754 -22.1979 -14.7755 63.2208 7.59538 -22.1979 7.59553 -13.5483 GPRESSAVG: 4027400 -12.7544 -15.3535 -20.9277 -13.9473 63.6724 9.0219 -23.2797 6.5372 -14.1653 TIMING: 4027400 CPU: 11972.2, 0.00294571/step Wall: 11972.2, 0.00294571/step, 0.795832 hours remaining, 207.316406 MB of memory in use. ENERGY: 4027400 735.8685 2120.2413 1948.6942 129.0781 -205734.8888 17384.7881 0.0000 0.0000 34179.1085 -149237.1102 298.4947 -183416.2186 -149141.1426 298.5420 -213.3315 -183.8881 557453.9231 12.3729 12.2509 PRESSURE: 4027600 75.7925 98.2868 -129.138 98.287 -380.72 96.2544 -129.139 96.2555 8.9607 GPRESSURE: 4027600 111.58 119.921 -173.547 85.1052 -297.695 64.4813 -102.343 110.752 -0.165518 PRESSAVG: 4027600 37.6263 35.6949 -10.7393 35.695 -37.7259 25.6409 -10.7393 25.6409 40.8441 GPRESSAVG: 4027600 37.5716 35.2261 -11.3114 36.145 -36.3888 25.1868 -9.62012 25.9142 39.7058 TIMING: 4027600 CPU: 11972.8, 0.00294509/step Wall: 11972.8, 0.00294509/step, 0.795502 hours remaining, 207.316406 MB of memory in use. ENERGY: 4027600 753.3618 2115.6393 1933.2942 105.9524 -205752.3384 17507.0969 0.0000 0.0000 34192.9424 -149144.0515 298.6155 -183336.9939 -149046.8062 299.2531 -98.6556 -62.0937 556584.9614 13.5815 13.6295 PRESSURE: 4027800 9.81979 157.112 -25.5717 157.112 144.594 70.2234 -25.5709 70.2226 -41.9672 GPRESSURE: 4027800 95.2338 131.558 -96.9973 106.177 102.174 -38.9001 0.883991 104.401 8.79997 PRESSAVG: 4027800 -38.5711 -1.00312 -40.4345 -1.00317 3.77559 -11.3092 -40.4345 -11.3093 24.7962 GPRESSAVG: 4027800 -38.5724 -0.790855 -39.8783 -2.38651 2.50998 -12.1021 -43.357 -9.14988 26.1761 TIMING: 4027800 CPU: 11973.4, 0.00292547/step Wall: 11973.4, 0.00292547/step, 0.79004 hours remaining, 207.316406 MB of memory in use. ENERGY: 4027800 746.8039 2107.5993 1919.5065 110.6777 -206499.2760 17894.1951 0.0000 0.0000 34348.0474 -149372.4460 299.9700 -183720.4934 -149275.5809 300.2041 37.4821 68.7359 554555.6911 -3.3331 -3.2954 PRESSURE: 4028000 -161.573 -61.0838 56.9951 -61.0838 -143.381 -72.6316 56.9953 -72.6307 210.826 GPRESSURE: 4028000 -162.583 -116.952 71.8785 -69.0593 -114.256 -39.2362 22.5321 -98.7193 275.315 PRESSAVG: 4028000 17.0572 52.1518 -32.8829 52.1518 -23.6811 -0.774505 -32.8827 -0.774481 17.7022 GPRESSAVG: 4028000 16.1349 51.4791 -33.7391 53.2527 -22.7341 3.06484 -31.7536 -3.2195 17.803 TIMING: 4028000 CPU: 11974, 0.00296958/step Wall: 11974, 0.00296958/step, 0.801785 hours remaining, 207.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4028000 729.2407 2089.2351 1929.0118 109.7282 -206601.5942 17791.4527 0.0000 0.0000 34552.4543 -149400.4713 301.7552 -183952.9256 -149301.9929 300.2044 -31.3760 -0.5080 555932.1390 3.6928 3.7346 PRESSURE: 4028200 -162.816 -36.228 -19.3308 -36.2286 -124.34 -105.495 -19.3302 -105.495 134.708 GPRESSURE: 4028200 -78.5972 -35.9261 -47.7778 -25.0224 -91.2774 -128.291 -2.81407 -64.7694 123.54 PRESSAVG: 4028200 6.90665 -36.6336 -42.4625 -36.6337 -52.9751 25.8188 -42.4625 25.8188 46.1142 GPRESSAVG: 4028200 8.37864 -35.4136 -41.8103 -36.873 -54.7487 23.54 -44.1473 24.9789 45.7821 TIMING: 4028200 CPU: 11974.6, 0.00293714/step Wall: 11974.6, 0.00293714/step, 0.792866 hours remaining, 207.316406 MB of memory in use. ENERGY: 4028200 721.5885 2129.9147 1955.8480 107.3142 -206350.8434 17800.4970 0.0000 0.0000 34335.8187 -149299.8623 299.8632 -183635.6810 -149218.2745 299.8146 -50.8159 -15.4450 557278.2307 0.0152 -0.1960 LDB: ============= START OF LOAD BALANCING ============== 11978.1 LDB: ============== END OF LOAD BALANCING =============== 11978.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11978.1 LDB: ============= START OF LOAD BALANCING ============== 11978.4 LDB: Largest compute 4809 load 0.022254 is 18.8% of average load 0.118379 LDB: Average compute 0.001725 is 1.5% of average load 0.118379 LDB: TIME 11978.4 LOAD: AVG 0.118379 MAX 0.197799 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 11978.4 LOAD: AVG 0.118379 MAX 0.197799 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: TIME 11978.4 LOAD: AVG 0.118379 MAX 0.197799 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11978.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11978.4 PRESSURE: 4028400 -305.357 149.302 67.0758 149.302 -66.8318 70.4559 67.0755 70.4553 -60.9405 GPRESSURE: 4028400 -212.012 168.866 60.497 197.679 -90.8898 107.115 158.202 40.5453 -34.246 PRESSAVG: 4028400 18.1958 -0.0688852 -1.20564 -0.0689066 -29.9295 -48.014 -1.20569 -48.014 -15.3595 GPRESSAVG: 4028400 17.4003 0.870746 -1.93171 0.392862 -29.5912 -46.3181 1.74361 -48.4756 -15.2222 TIMING: 4028400 CPU: 11975.2, 0.00301552/step Wall: 11975.2, 0.00301552/step, 0.813855 hours remaining, 206.742188 MB of memory in use. ENERGY: 4028400 754.9702 2090.1582 1934.0555 101.6780 -206195.9739 17721.5093 0.0000 0.0000 34129.2582 -149464.3446 298.0593 -183593.6027 -149361.7671 299.1618 -144.3764 -112.3827 558102.1504 -9.0311 -9.1377 PRESSURE: 4028600 63.9463 165.705 -1.11366 165.706 -276.737 -17.7576 -1.11338 -17.7574 220.377 GPRESSURE: 4028600 97.7649 79.4917 78.2594 179.722 -280.465 -56.6709 -52.5914 15.0256 300.676 PRESSAVG: 4028600 -9.28538 -41.9318 59.9157 -41.9318 -48.4164 66.6413 59.9157 66.6413 34.9832 GPRESSAVG: 4028600 -9.56272 -42.0467 60.8935 -43.3168 -47.9567 64.4805 57.8255 68.3944 35.2834 TIMING: 4028600 CPU: 11975.7, 0.00294793/step Wall: 11975.7, 0.00294793/step, 0.795451 hours remaining, 206.742188 MB of memory in use. ENERGY: 4028600 759.7427 2074.8790 1952.8635 123.0319 -206550.0141 17767.2767 0.0000 0.0000 34473.5656 -149398.6547 301.0662 -183872.2203 -149297.1185 299.0826 2.5285 39.3251 555398.2323 -7.5729 -7.4120 PRESSURE: 4028800 -145.876 83.4578 -67.0214 83.4562 -383.701 81.3273 -67.0214 81.3283 -118.089 GPRESSURE: 4028800 -92.494 62.024 -15.5124 54.1713 -330.297 101.409 -111.486 -17.4275 -120.47 PRESSAVG: 4028800 46.0186 -31.7779 -8.73614 -31.7779 -25.6511 -17.489 -8.7362 -17.489 15.2634 GPRESSAVG: 4028800 46.2205 -31.8953 -10.8075 -30.6851 -26.6071 -17.5451 -7.19231 -17.8584 15.8148 TIMING: 4028800 CPU: 11976.3, 0.00294141/step Wall: 11976.3, 0.00294141/step, 0.793527 hours remaining, 206.742188 MB of memory in use. ENERGY: 4028800 770.3761 2124.7794 1941.7912 126.1591 -206200.8436 17552.3990 0.0000 0.0000 34214.7431 -149470.5957 298.8059 -183685.3388 -149375.9526 298.5822 -215.8888 -181.0872 556888.1325 11.8770 11.8094 PRESSURE: 4029000 56.2473 -69.4506 143.208 -69.4502 65.6575 -130.48 143.208 -130.481 141.019 GPRESSURE: 4029000 128.919 -72.4281 155.839 -96.7319 35.9888 -194.829 127.989 -48.2356 189.405 PRESSAVG: 4029000 -55.1005 -7.41233 23.5849 -7.41225 34.358 -2.87732 23.585 -2.87742 30.8112 GPRESSAVG: 4029000 -55.1927 -6.41921 24.6698 -9.99155 34.2806 -2.43152 23.3922 -1.93112 30.8554 TIMING: 4029000 CPU: 11976.9, 0.00293779/step Wall: 11976.9, 0.00293779/step, 0.792388 hours remaining, 206.742188 MB of memory in use. ENERGY: 4029000 782.5946 2105.7690 1926.8325 119.0427 -206655.3634 18083.4059 0.0000 0.0000 34168.7698 -149468.9489 298.4044 -183637.7188 -149371.7147 298.6163 87.6411 118.1043 557145.6704 3.3562 3.3144 PRESSURE: 4029200 -223.569 21.5439 22.7063 21.5431 -152.349 -9.38623 22.7073 -9.38576 47.9995 GPRESSURE: 4029200 -196.276 14.4727 -22.5515 93.0571 -124.542 22.6498 64.7893 -72.3411 105.866 PRESSAVG: 4029200 -2.96479 52.6306 -31.7671 52.6306 15.465 0.371033 -31.767 0.371039 -25.592 GPRESSAVG: 4029200 -2.40648 51.6752 -33.4402 55.3614 15.9667 -0.00724801 -31.0303 -0.358441 -26.7893 TIMING: 4029200 CPU: 11977.5, 0.00298724/step Wall: 11977.5, 0.00298725/step, 0.80556 hours remaining, 206.742188 MB of memory in use. ENERGY: 4029200 755.2787 2042.1366 1949.5288 119.8493 -206386.1143 17746.5696 0.0000 0.0000 34204.0864 -149568.6649 298.7128 -183772.7512 -149472.3506 298.8303 -109.3062 -71.6506 556516.6216 -4.3639 -4.4097 PRESSURE: 4029400 -138.739 105.485 135.489 105.486 -101.666 -63.2299 135.488 -63.2287 153.981 GPRESSURE: 4029400 -38.5283 96.9716 129.182 142.423 -94.1206 48.322 104.228 -157.372 154.638 PRESSAVG: 4029400 26.8423 3.11072 -26.0329 3.11064 -13.5982 2.81929 -26.0328 2.81928 9.25403 GPRESSAVG: 4029400 28.2224 2.64949 -23.4188 2.80453 -14.6284 1.36255 -26.7578 3.93546 9.28712 TIMING: 4029400 CPU: 11978.1, 0.00297165/step Wall: 11978.1, 0.00297165/step, 0.801191 hours remaining, 206.742188 MB of memory in use. ENERGY: 4029400 756.7731 2114.6096 1951.2566 117.9546 -206361.3925 17833.8218 0.0000 0.0000 34135.6034 -149451.3734 298.1147 -183586.9768 -149358.7732 298.2292 -28.8081 7.3298 556861.8692 7.4994 7.6270 PRESSURE: 4029600 5.56589 -90.8079 5.95554 -90.8083 -312.121 -196.264 5.95531 -196.265 -130.064 GPRESSURE: 4029600 41.1871 -83.1563 6.74281 -39.8818 -267.602 -192.043 53.7334 -175.352 -120.767 PRESSAVG: 4029600 11.9367 -33.5804 -16.2686 -33.5804 -16.981 -39.3737 -16.2687 -39.3737 30.7607 GPRESSAVG: 4029600 11.4702 -30.6746 -17.7702 -35.6527 -17.0215 -37.3311 -15.7322 -39.9078 31.3375 TIMING: 4029600 CPU: 11978.7, 0.00297182/step Wall: 11978.7, 0.00297182/step, 0.801071 hours remaining, 206.742188 MB of memory in use. ENERGY: 4029600 744.3969 2064.1399 1915.7718 125.8863 -206105.2199 17774.2362 0.0000 0.0000 34132.3899 -149348.3990 298.0866 -183480.7889 -149252.4343 297.9763 -145.5395 -115.7273 558371.4554 8.5721 8.5954 PRESSURE: 4029800 -91.9509 -155.232 -197.431 -155.232 28.375 -65.7378 -197.432 -65.7373 -259.704 GPRESSURE: 4029800 -88.363 -176.454 -211.551 -150.717 34.2041 -86.1658 -180.591 -87.2932 -179.107 PRESSAVG: 4029800 -14.53 -52.8205 21.3228 -52.8205 32.3856 -74.8496 21.3228 -74.8496 -21.6767 GPRESSAVG: 4029800 -14.1225 -55.4829 23.7152 -52.3568 31.6435 -77.1264 18.4253 -75.5015 -20.9508 TIMING: 4029800 CPU: 11979.3, 0.00297427/step Wall: 11979.3, 0.00297427/step, 0.801566 hours remaining, 206.742188 MB of memory in use. ENERGY: 4029800 748.4501 2100.9277 1935.7258 113.3020 -205841.1004 17591.8934 0.0000 0.0000 34125.0333 -149225.7681 298.0224 -183350.8014 -149124.6809 298.3080 -107.7601 -77.7555 558356.9584 -1.2737 -1.1433 PRESSURE: 4030000 139.085 -37.0015 -58.5888 -37.0016 22.1245 36.9386 -58.5888 36.9379 -3.12036 GPRESSURE: 4030000 140.889 -16.6588 -104.295 -75.6322 64.0009 44.566 33.4345 54.4901 53.7356 PRESSAVG: 4030000 -46.1679 4.46325 -28.5071 4.46315 42.801 -50.9638 -28.5071 -50.9639 -20.8817 GPRESSAVG: 4030000 -47.501 4.8743 -28.0718 4.19881 44.7298 -47.9224 -26.7886 -50.4939 -21.5292 TIMING: 4030000 CPU: 11979.9, 0.00296406/step Wall: 11979.9, 0.00296406/step, 0.79865 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4030000 742.4842 2112.0382 1950.9730 123.1742 -206510.6576 18069.7956 0.0000 0.0000 34273.7029 -149238.4895 299.3208 -183512.1924 -149144.6948 298.3510 52.6962 86.2083 558072.6271 -8.0829 -8.1001 PRESSURE: 4030200 90.8748 -25.0627 -249.634 -25.0611 98.9132 -63.0446 -249.633 -63.0446 167.545 GPRESSURE: 4030200 171.869 -63.0007 -237.322 -53.1187 85.8605 107.784 -219.207 -164.735 200.389 PRESSAVG: 4030200 0.769806 14.9334 -41.9732 14.9334 -8.1497 16.108 -41.9732 16.108 11.0698 GPRESSAVG: 4030200 2.21352 14.5742 -44.0018 14.5083 -9.33936 14.1955 -40.3541 17.3584 11.024 TIMING: 4030200 CPU: 11980.5, 0.00295343/step Wall: 11980.5, 0.00295343/step, 0.795622 hours remaining, 206.742188 MB of memory in use. ENERGY: 4030200 728.5253 2173.8579 1958.1969 112.9483 -206569.6691 17983.4090 0.0000 0.0000 34416.6255 -149196.1062 300.5690 -183612.7317 -149093.1297 299.0793 119.1110 152.7061 557371.4569 1.2300 1.2994 PRESSURE: 4030400 -29.5091 41.9339 -63.5172 41.9341 110.452 -80.0876 -63.5166 -80.0871 31.2517 GPRESSURE: 4030400 35.355 50.7901 -30.1963 16.8724 142.385 -96.3662 -82.969 -169.499 26.3418 PRESSAVG: 4030400 9.46216 -18.0376 19.5001 -18.0377 63.9336 -0.744002 19.5001 -0.744114 -122.55 GPRESSAVG: 4030400 9.04774 -18.8479 20.1812 -16.1643 64.1577 -1.17816 17.5998 -1.29438 -122.342 TIMING: 4030400 CPU: 11981.1, 0.00293681/step Wall: 11981.1, 0.00293681/step, 0.79098 hours remaining, 206.742188 MB of memory in use. ENERGY: 4030400 766.2856 2058.7223 1961.4816 120.7624 -206011.7517 17860.2636 0.0000 0.0000 34090.0692 -149154.1670 297.7171 -183244.2362 -149058.6128 298.8574 37.3980 68.0271 556984.7984 -16.3848 -16.3790 PRESSURE: 4030600 -247.591 -179.298 260.499 -179.298 135.995 -28.848 260.5 -28.8478 -11.0492 GPRESSURE: 4030600 -142.613 -68.7994 230.361 -155.61 127.645 -29.0167 233.33 -48.899 -15.9904 PRESSAVG: 4030600 3.80814 -22.1731 -16.4234 -22.173 32.4261 -52.1099 -16.4235 -52.1099 -35.4235 GPRESSAVG: 4030600 4.21162 -20.609 -17.1245 -24.0296 32.5112 -53.0516 -16.1999 -53.5122 -35.7472 TIMING: 4030600 CPU: 11981.7, 0.00295187/step Wall: 11981.7, 0.00295187/step, 0.794874 hours remaining, 206.742188 MB of memory in use. ENERGY: 4030600 755.2072 2068.5201 1966.6096 107.9223 -206081.0560 17835.3132 0.0000 0.0000 34270.6108 -149076.8729 299.2938 -183347.4836 -148981.2411 298.6016 -40.8817 -10.3196 558259.4481 0.2702 0.3252 PRESSURE: 4030800 -55.9551 -42.7004 42.1709 -42.6999 -31.6659 70.4153 42.1706 70.4162 35.3579 GPRESSURE: 4030800 -7.11114 -55.8906 19.6253 13.2564 46.4704 85.9262 75.8507 115.44 8.24042 PRESSAVG: 4030800 -3.75326 -9.43385 0.405528 -9.43382 -7.71248 -15.5046 0.405566 -15.5046 -14.555 GPRESSAVG: 4030800 -4.63203 -8.16447 0.602399 -9.64058 -7.77183 -14.6461 1.38149 -13.3296 -13.5039 TIMING: 4030800 CPU: 11982.3, 0.00294167/step Wall: 11982.3, 0.00294167/step, 0.791962 hours remaining, 206.742188 MB of memory in use. ENERGY: 4030800 741.5731 2123.6593 1937.5480 108.0307 -206199.2003 17695.7777 0.0000 0.0000 34298.3699 -149294.2416 299.5362 -183592.6115 -149195.7490 299.1667 -17.4210 15.8665 557417.6626 -8.6736 -8.6359 PRESSURE: 4031000 -224.104 -63.749 -36.1306 -63.7487 -65.0338 12.2757 -36.1307 12.2754 18.0144 GPRESSURE: 4031000 -137.762 -48.4361 28.6806 11.0723 -53.1124 -43.8633 11.9422 -22.2784 11.2868 PRESSAVG: 4031000 10.8369 2.94161 -2.98747 2.9416 51.6247 36.858 -2.98745 36.858 12.5889 GPRESSAVG: 4031000 11.2461 3.13065 -3.67018 3.05878 51.4431 40.0713 -2.98012 33.941 11.8125 TIMING: 4031000 CPU: 11982.8, 0.00296243/step Wall: 11982.8, 0.00296243/step, 0.797387 hours remaining, 206.742188 MB of memory in use. ENERGY: 4031000 742.3111 2108.1458 1929.4338 97.3690 -206115.3454 17698.5466 0.0000 0.0000 34270.9477 -149268.5915 299.2967 -183539.5392 -149166.5767 299.4792 -90.3746 -59.8626 558018.2230 25.0168 24.8339 PRESSURE: 4031200 266.517 -49.8975 -47.1508 -49.8961 68.691 -73.8671 -47.1509 -73.8706 155.804 GPRESSURE: 4031200 299.672 -102.87 -48.3618 -122.415 63.1876 -17.9346 -95.3679 -142.94 221.35 PRESSAVG: 4031200 67.7211 30.8006 5.96284 30.8006 -30.796 -29.1942 5.96296 -29.1942 16.1065 GPRESSAVG: 4031200 67.3483 28.8815 7.11458 31.8023 -31.2375 -31.1866 4.36337 -26.5122 17.2119 TIMING: 4031200 CPU: 11983.4, 0.00292961/step Wall: 11983.4, 0.00292961/step, 0.78839 hours remaining, 206.742188 MB of memory in use. ENERGY: 4031200 768.8415 2016.0939 1930.4909 97.2876 -206670.9812 18002.0450 0.0000 0.0000 34470.1515 -149386.0709 301.0364 -183856.2224 -149288.5252 299.2249 163.6705 194.7363 554882.5527 17.6772 17.7742 PRESSURE: 4031400 147.888 67.1622 -101.017 67.1623 -236.276 120.054 -101.016 120.054 -428.871 GPRESSURE: 4031400 116.063 53.7243 -127.77 59.2679 -176.955 123.96 -119.454 166.482 -357.296 PRESSAVG: 4031400 3.13717 -6.05657 -41.4557 -6.05656 27.6663 19.7772 -41.4557 19.7773 15.7272 GPRESSAVG: 4031400 3.44835 -6.3145 -42.6881 -6.0611 28.0209 19.2697 -39.3692 19.0268 14.5699 TIMING: 4031400 CPU: 11984, 0.00296153/step Wall: 11984, 0.00296153/step, 0.796816 hours remaining, 206.742188 MB of memory in use. ENERGY: 4031400 795.9596 2086.9081 1939.1992 114.9548 -206437.6623 17700.9189 0.0000 0.0000 34413.4649 -149386.2567 300.5413 -183799.7216 -149294.2396 298.7061 -172.4197 -139.3961 557096.3030 15.5102 15.3464 PRESSURE: 4031600 -65.1462 -50.2199 94.1113 -50.2212 163.686 56.7557 94.1107 56.7572 102.123 GPRESSURE: 4031600 -17.1761 -31.5181 110.81 -43.2086 224.819 74.1923 130.561 14.1143 79.147 PRESSAVG: 4031600 55.1952 10.8645 -63.7301 10.8645 -41.3537 18.9184 -63.73 18.9183 -11.3047 GPRESSAVG: 4031600 54.6353 11.4905 -63.5378 8.28303 -42.1414 18.5465 -63.4985 19.6243 -9.67215 TIMING: 4031600 CPU: 11984.6, 0.00291297/step Wall: 11984.6, 0.00291297/step, 0.783588 hours remaining, 206.742188 MB of memory in use. ENERGY: 4031600 757.6710 2110.2679 1922.7485 102.3287 -206427.4090 18020.9217 0.0000 0.0000 34254.1640 -149259.3072 299.1501 -183513.4712 -149174.3939 299.2870 66.8878 95.5966 557797.0088 0.8456 0.9406 PRESSURE: 4031800 -256.872 96.8749 -15.2123 96.8747 -257.298 -171.528 -15.2121 -171.527 -100.884 GPRESSURE: 4031800 -252.816 128.203 66.023 31.9753 -194.523 -215.694 -5.17022 -48.7298 -54.2039 PRESSAVG: 4031800 -68.6644 -1.09555 6.19434 -1.09561 7.90639 64.5178 6.19436 64.5179 59.6783 GPRESSAVG: 4031800 -68.523 -0.915435 6.92423 0.180153 8.53058 65.9876 2.95669 64.3728 58.6217 TIMING: 4031800 CPU: 11985.2, 0.00296601/step Wall: 11985.2, 0.00296601/step, 0.797691 hours remaining, 206.742188 MB of memory in use. ENERGY: 4031800 752.4382 2084.0157 1897.9468 111.0816 -205824.5726 17401.1150 0.0000 0.0000 34352.9273 -149225.0480 300.0127 -183577.9753 -149122.6547 299.1755 -205.0181 -167.1808 558066.8804 -0.3599 -0.4569 PRESSURE: 4032000 -137.001 105.272 -13.6222 105.272 -313.73 -66.9128 -13.622 -66.9145 -33.3259 GPRESSURE: 4032000 -72.9999 94.4471 48.0777 78.6828 -295.23 -58.6032 -42.037 -35.9176 -19.3334 PRESSAVG: 4032000 -91.3034 -1.759 -14.6704 -1.75901 20.2409 0.638164 -14.6704 0.638168 43.9883 GPRESSAVG: 4032000 -90.3519 -3.56227 -14.6905 -0.887394 19.3654 2.89618 -11.0455 1.06282 44.5545 TIMING: 4032000 CPU: 11985.8, 0.00296451/step Wall: 11985.8, 0.00296451/step, 0.797124 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4032000 760.1382 2090.2070 1937.2040 113.9172 -205810.4209 17645.9352 0.0000 0.0000 34263.3984 -148999.6209 299.2308 -183263.0193 -148899.7143 299.3684 -161.3524 -129.1879 558352.5189 -9.0247 -8.8106 PRESSURE: 4032200 -89.4546 119.587 -81.3655 119.585 -69.6667 -64.7431 -81.365 -64.7427 -355.06 GPRESSURE: 4032200 -59.7842 92.461 -40.3182 10.2913 -25.5291 -101.474 -95.7887 -62.456 -340.94 PRESSAVG: 4032200 -33.0159 -4.8874 -10.9239 -4.88735 36.0773 11.4474 -10.9238 11.4473 -26.6633 GPRESSAVG: 4032200 -34.6334 -5.80841 -9.68282 -4.31118 36.6587 9.61825 -13.4506 10.6095 -26.1379 TIMING: 4032200 CPU: 11986.4, 0.00293317/step Wall: 11986.4, 0.00293317/step, 0.788534 hours remaining, 206.742188 MB of memory in use. ENERGY: 4032200 729.5270 2077.2017 1903.6335 107.2303 -205925.2613 17512.7167 0.0000 0.0000 34622.0898 -148972.8623 302.3633 -183594.9521 -148873.0403 300.2929 -171.3939 -142.0845 557722.4308 -7.8673 -8.0375 LDB: ============= START OF LOAD BALANCING ============== 11989.9 LDB: ============== END OF LOAD BALANCING =============== 11989.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11989.9 LDB: ============= START OF LOAD BALANCING ============== 11990.2 LDB: Largest compute 4809 load 0.021393 is 18.1% of average load 0.118339 LDB: Average compute 0.001724 is 1.5% of average load 0.118339 LDB: TIME 11990.2 LOAD: AVG 0.118339 MAX 0.198141 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 11990.2 LOAD: AVG 0.118339 MAX 0.198141 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: TIME 11990.2 LOAD: AVG 0.118339 MAX 0.198141 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: ============== END OF LOAD BALANCING =============== 11990.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11990.2 PRESSURE: 4032400 60.7201 82.9649 -60.5901 82.9638 -38.0152 250.073 -60.591 250.072 57.2882 GPRESSURE: 4032400 122.53 106.784 -10.293 6.99395 -14.7551 171.944 -112.876 219.007 79.689 PRESSAVG: 4032400 -9.03295 -16.2932 -42.7305 -16.2934 -17.7814 35.4071 -42.7305 35.4071 -34.8552 GPRESSAVG: 4032400 -7.99487 -14.3534 -42.5147 -17.4861 -18.0599 33.382 -43.2318 35.5157 -35.8618 TIMING: 4032400 CPU: 11987, 0.00301542/step Wall: 11987, 0.00301541/step, 0.810476 hours remaining, 208.796875 MB of memory in use. ENERGY: 4032400 754.7901 2094.2874 1942.5734 109.6716 -206202.8988 17940.0162 0.0000 0.0000 34567.8417 -148793.7184 301.8896 -183361.5601 -148692.0196 300.4858 26.6644 62.4880 557058.6940 -20.5565 -20.6388 PRESSURE: 4032600 -154.204 82.525 219.088 82.525 84.2507 70.5666 219.088 70.5662 -9.44252 GPRESSURE: 4032600 -61.2995 106.914 146.059 109.14 101.302 22.1365 150.561 105.494 -8.32576 PRESSAVG: 4032600 -9.92826 -8.6686 -50.4217 -8.66861 -8.30485 46.5174 -50.4217 46.5173 -9.83301 GPRESSAVG: 4032600 -10.7508 -9.93799 -51.7655 -7.75915 -7.85845 48.4312 -49.3354 48.1576 -9.66162 TIMING: 4032600 CPU: 11987.6, 0.00294863/step Wall: 11987.6, 0.00294863/step, 0.792363 hours remaining, 208.796875 MB of memory in use. ENERGY: 4032600 742.6861 2079.5908 1932.7812 124.1582 -206051.9647 17683.9626 0.0000 0.0000 34688.6457 -148800.1401 302.9446 -183488.7858 -148695.8654 300.3597 -26.4654 10.5589 557366.7729 -9.3554 -9.4236 PRESSURE: 4032800 229.844 -146.431 -75.4375 -146.43 17.6434 -14.8045 -75.4395 -14.8054 -61.0021 GPRESSURE: 4032800 273.419 -220.513 -108.976 -141.423 92.1734 -22.2801 -137.255 -3.25313 -78.7747 PRESSAVG: 4032800 -15.2103 -17.2907 -62.3693 -17.2907 30.7837 11.1828 -62.3693 11.1828 10.2679 GPRESSAVG: 4032800 -14.3798 -15.4813 -62.0205 -17.5031 30.2256 10.4191 -64.0195 12.4998 10.3188 TIMING: 4032800 CPU: 11988.2, 0.00294416/step Wall: 11988.2, 0.00294416/step, 0.790998 hours remaining, 208.796875 MB of memory in use. ENERGY: 4032800 773.2341 2149.3202 1955.5508 121.7331 -206179.2235 18011.1783 0.0000 0.0000 34339.9895 -148828.2175 299.8997 -183168.2070 -148736.5231 300.2715 62.1619 95.6058 558630.7963 8.6137 8.7215 PRESSURE: 4033000 41.1162 -156.316 58.6318 -156.317 75.3594 -44.7193 58.6314 -44.7209 -102.486 GPRESSURE: 4033000 32.1643 -216.601 13.387 -104.798 113.077 -76.4798 47.6963 -16.2511 -17.941 PRESSAVG: 4033000 -13.2671 -34.6833 -38.8811 -34.6832 47.8358 21.1746 -38.8811 21.1744 -50.0977 GPRESSAVG: 4033000 -13.92 -33.9025 -40.1712 -37.0199 48.0852 21.7704 -36.9716 19.7173 -49.9703 TIMING: 4033000 CPU: 11988.8, 0.00295519/step Wall: 11988.8, 0.00295519/step, 0.793798 hours remaining, 208.796875 MB of memory in use. ENERGY: 4033000 784.9593 2115.5502 1948.7523 100.9285 -205773.2357 17716.3016 0.0000 0.0000 34229.2196 -148877.5242 298.9323 -183106.7438 -148783.6086 299.8172 4.6632 42.4333 558081.8855 -5.1763 -5.2683 PRESSURE: 4033200 245.852 119.887 -13.4462 119.887 -202.711 -136.426 -13.445 -136.425 -40.6152 GPRESSURE: 4033200 286.388 53.1208 -28.6643 230.548 -133.276 -146.387 -27.9684 -148.413 -56.851 PRESSAVG: 4033200 -39.7834 46.7197 74.0419 46.7197 33.8358 -6.04746 74.0418 -6.04743 13.3975 GPRESSAVG: 4033200 -39.0317 44.1135 74.3485 49.4517 33.7058 -6.80611 73.3061 -5.81936 12.9406 TIMING: 4033200 CPU: 11989.3, 0.00297247/step Wall: 11989.3, 0.00297247/step, 0.798274 hours remaining, 208.796875 MB of memory in use. ENERGY: 4033200 712.3422 2032.7073 1944.8585 111.0656 -205778.4499 17734.4076 0.0000 0.0000 34207.6965 -149035.3721 298.7443 -183243.0686 -148933.8936 300.6932 0.8418 32.0871 558120.2603 2.4833 2.5383 PRESSURE: 4033400 11.7387 41.6297 103.572 41.6307 -194.246 -113.057 103.571 -113.058 55.0102 GPRESSURE: 4033400 42.4281 31.3125 83.9561 101.405 -138.684 -121.285 116.114 -117.142 72.3349 PRESSAVG: 4033400 43.6219 -7.58618 26.2596 -7.58615 -21.4389 -59.0078 26.2595 -59.0078 -9.33594 GPRESSAVG: 4033400 44.951 -5.89579 27.9715 -8.4215 -22.1385 -58.77 26.665 -59.5957 -10.0955 TIMING: 4033400 CPU: 11989.9, 0.00296331/step Wall: 11989.9, 0.00296331/step, 0.79565 hours remaining, 208.796875 MB of memory in use. ENERGY: 4033400 786.2946 2076.4294 1951.9485 101.2139 -206317.6572 18027.5345 0.0000 0.0000 34184.8825 -149189.3537 298.5451 -183374.2362 -149088.5719 299.4342 -42.4990 -7.9737 558534.7214 4.2824 4.2390 PRESSURE: 4033600 -47.7804 -222.367 -67.791 -222.367 -201.515 45.5256 -67.793 45.5256 -112.263 GPRESSURE: 4033600 -62.8953 -214.901 -35.515 -127.282 -105.121 20.1258 -63.8375 96.2214 -102.189 PRESSAVG: 4033600 20.0058 -6.93319 -50.9576 -6.93325 -16.1302 -18.7588 -50.9577 -18.7586 18.0656 GPRESSAVG: 4033600 17.3109 -6.01337 -52.1376 -7.25384 -15.0923 -18.9663 -48.8985 -15.3849 19.1648 TIMING: 4033600 CPU: 11990.5, 0.0029576/step Wall: 11990.5, 0.0029576/step, 0.793952 hours remaining, 208.796875 MB of memory in use. ENERGY: 4033600 759.0321 2077.3149 1915.3896 111.2156 -205855.6987 17698.2584 0.0000 0.0000 34137.6682 -149156.8199 298.1327 -183294.4881 -149061.7734 299.0136 -120.5195 -90.0686 559652.2974 7.3138 7.1278 PRESSURE: 4033800 -131.597 -8.81891 -43.1266 -8.81793 -115.659 120.674 -43.1275 120.673 -31.3359 GPRESSURE: 4033800 -95.5261 36.8496 -34.617 22.1033 -88.0539 106.719 -36.9717 97.2025 1.21702 PRESSAVG: 4033800 37.3084 -20.042 6.28748 -20.042 -23.3104 -41.1102 6.28748 -41.1102 -9.51041 GPRESSAVG: 4033800 39.4799 -19.5493 6.39339 -21.1732 -24.9002 -40.8428 5.06416 -44.5888 -10.3907 TIMING: 4033800 CPU: 11991.1, 0.0029791/step Wall: 11991.1, 0.0029791/step, 0.799556 hours remaining, 208.796875 MB of memory in use. ENERGY: 4033800 722.0204 2130.9217 1933.9884 111.9824 -206065.6544 17696.9467 0.0000 0.0000 34233.4748 -149236.3201 298.9695 -183469.7949 -149142.5471 299.5150 -92.8639 -60.7876 558879.6599 1.4959 1.3963 PRESSURE: 4034000 -158.106 -257.659 -24.2463 -257.659 110.082 8.08696 -24.2471 8.08724 90.9675 GPRESSURE: 4034000 -91.3334 -307.849 -55.2951 -169.266 124.939 144.872 -50.345 14.6582 110.391 PRESSAVG: 4034000 22.2581 -8.51703 -13.151 -8.51703 -50.1548 25.7687 -13.151 25.7687 -9.18619 GPRESSAVG: 4034000 20.9631 -8.04978 -13.3538 -8.62326 -48.4638 27.7201 -14.1885 26.116 -9.35178 TIMING: 4034000 CPU: 11991.7, 0.00298725/step Wall: 11991.7, 0.00298725/step, 0.801579 hours remaining, 208.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4034000 749.2220 2092.2901 1925.4064 114.7957 -206070.5349 17897.3051 0.0000 0.0000 34022.9609 -149268.5546 297.1310 -183291.5155 -149164.2364 299.0921 14.3145 47.9986 557679.4475 -12.3610 -12.2842 PRESSURE: 4034200 -136.137 -53.352 -24.2483 -53.3535 -253.977 -45.7917 -24.2485 -45.7925 13.5498 GPRESSURE: 4034200 -120.635 -97.7425 -60.1988 -9.25398 -194.88 -126.665 -26.7882 2.84624 40.6175 PRESSAVG: 4034200 45.7641 23.9456 10.1796 23.9456 -54.2542 -38.7125 10.1795 -38.7125 -11.5756 GPRESSAVG: 4034200 46.0323 21.7614 11.0676 25.5566 -55.094 -42.9765 11.0299 -38.0705 -10.5714 TIMING: 4034200 CPU: 11992.3, 0.00300033/step Wall: 11992.3, 0.00300033/step, 0.804923 hours remaining, 208.796875 MB of memory in use. ENERGY: 4034200 755.4777 2061.2446 1928.3789 104.8209 -206271.6506 17805.6466 0.0000 0.0000 34463.9980 -149152.0837 300.9827 -183616.0818 -149053.4412 299.7572 -125.5213 -91.6323 558711.8707 -6.6886 -6.5444 PRESSURE: 4034400 -238.803 46.351 -54.7601 46.351 -171.504 -92.977 -54.7592 -92.978 -97.5313 GPRESSURE: 4034400 -196.681 39.0381 -58.0814 71.0337 -117.974 -113.641 -110.406 -82.7793 -94.8214 PRESSAVG: 4034400 16.9416 -14.0892 -55.624 -14.0893 -3.11999 -39.1336 -55.624 -39.1335 -33.2305 GPRESSAVG: 4034400 17.0251 -13.5371 -56.2509 -14.6119 -3.56975 -36.4183 -56.3841 -39.4146 -32.4225 TIMING: 4034400 CPU: 11992.9, 0.00298762/step Wall: 11992.9, 0.00298762/step, 0.801347 hours remaining, 208.796875 MB of memory in use. ENERGY: 4034400 724.3032 2080.2963 1946.9799 105.3748 -205925.3461 17509.4512 0.0000 0.0000 34259.1589 -149299.7819 299.1938 -183558.9407 -149201.2346 298.9327 -169.2793 -136.4922 558975.8487 -6.4696 -6.3224 PRESSURE: 4034600 -44.0146 -8.71517 90.0182 -8.71542 -116.684 71.3745 90.0189 71.3744 156.819 GPRESSURE: 4034600 100.409 4.13279 87.0204 -25.317 -150.978 112.433 198.186 122.868 147.295 PRESSAVG: 4034600 -20.7108 -1.49448 -13.8334 -1.49449 36.0974 30.4758 -13.8334 30.4758 29.5001 GPRESSAVG: 4034600 -19.0603 -2.75391 -14.594 -1.80351 35.4574 28.9316 -14.1479 31.6225 29.1784 TIMING: 4034600 CPU: 11993.5, 0.00296939/step Wall: 11993.5, 0.00296939/step, 0.796291 hours remaining, 208.796875 MB of memory in use. ENERGY: 4034600 758.5545 2097.3312 1942.1173 118.7600 -206136.8999 17673.4347 0.0000 0.0000 34225.3985 -149321.3038 298.8989 -183546.7022 -149215.0620 299.7182 -1.2933 32.2420 557785.1191 14.9622 15.1918 PRESSURE: 4034800 84.4453 78.013 -38.0283 78.0129 -116.374 56.4042 -38.0293 56.4038 -191.806 GPRESSURE: 4034800 47.1491 64.1771 -158.854 24.1444 -27.7104 26.6203 55.8731 49.3764 -145.845 PRESSAVG: 4034800 -2.32475 20.5547 12.3522 20.5546 28.0721 29.0376 12.3523 29.0377 -33.4452 GPRESSAVG: 4034800 -2.19389 20.7233 10.954 22.2619 27.4628 30.2373 16.209 26.3788 -32.9025 TIMING: 4034800 CPU: 11994.1, 0.00295661/step Wall: 11994.1, 0.00295661/step, 0.792701 hours remaining, 208.796875 MB of memory in use. ENERGY: 4034800 755.0195 2133.5322 1917.8457 104.2914 -205825.2559 17715.6884 0.0000 0.0000 33888.6347 -149310.2440 295.9579 -183198.8788 -149211.2291 298.8249 -74.5782 -42.1356 557584.7081 -2.5660 -2.5445 PRESSURE: 4035000 40.9041 -113.116 40.7946 -113.116 36.4993 -10.2625 40.7938 -10.2623 -159.511 GPRESSURE: 4035000 89.2632 -121.16 101.588 -148.943 37.4557 -29.8642 16.1003 54.872 -117.803 PRESSAVG: 4035000 71.2598 -50.6561 13.9072 -50.6562 -10.9965 33.2879 13.9072 33.288 -47.9375 GPRESSAVG: 4035000 70.1823 -48.7345 15.4115 -53.1944 -9.87742 31.0446 12.4526 35.3031 -47.366 TIMING: 4035000 CPU: 11994.7, 0.00296873/step Wall: 11994.7, 0.00296873/step, 0.795785 hours remaining, 208.796875 MB of memory in use. ENERGY: 4035000 762.1393 2046.8718 1976.6879 130.3097 -206453.7459 18038.1252 0.0000 0.0000 34112.7833 -149386.8286 297.9154 -183499.6119 -149296.9380 298.7380 -27.3692 2.9721 557960.9454 4.1086 4.3129 PRESSURE: 4035200 -88.9288 -99.2736 39.6616 -99.2727 -79.0825 -124.091 39.6619 -124.09 -218.611 GPRESSURE: 4035200 -42.5436 -120.697 17.0711 19.4898 -16.4743 -123.911 76.1179 -129.931 -237.798 PRESSAVG: 4035200 -21.0817 -10.8946 10.3933 -10.8946 90.0412 -34.0388 10.3932 -34.0388 -74.3404 GPRESSAVG: 4035200 -20.4922 -12.4277 11.3579 -9.418 91.1343 -31.0459 8.80506 -34.9509 -75.9911 TIMING: 4035200 CPU: 11995.3, 0.00295216/step Wall: 11995.3, 0.00295216/step, 0.791179 hours remaining, 208.796875 MB of memory in use. ENERGY: 4035200 740.9454 2078.9163 1936.3933 111.0910 -206309.3755 17723.8463 0.0000 0.0000 34243.4494 -149474.7337 299.0566 -183718.1831 -149369.9311 298.8551 -128.8740 -98.9385 558796.1242 -1.7936 -1.7830 PRESSURE: 4035400 -285.719 164.665 107.62 164.665 -58.3586 65.9318 107.619 65.9326 -140.678 GPRESSURE: 4035400 -266.055 225.897 176.084 99.4392 24.9571 92.4484 128.693 14.9789 -152.978 PRESSAVG: 4035400 22.6505 3.54075 -19.5334 3.54076 4.98083 -24.0576 -19.5334 -24.0577 -11.2389 GPRESSAVG: 4035400 22.7635 3.16222 -20.1214 3.35888 4.41634 -26.5685 -20.4046 -23.6737 -11.5757 TIMING: 4035400 CPU: 11995.9, 0.00294896/step Wall: 11995.9, 0.00294896/step, 0.790157 hours remaining, 208.796875 MB of memory in use. ENERGY: 4035400 766.4568 2053.5258 1932.3695 107.2924 -206289.3237 17653.2339 0.0000 0.0000 34407.8691 -149368.5762 300.4925 -183776.4452 -149267.8976 298.5855 -161.5850 -131.3588 558373.9495 5.4641 5.2014 PRESSURE: 4035600 -46.4769 -45.8379 58.6395 -45.8385 11.5653 3.43333 58.6404 3.43364 -459.097 GPRESSURE: 4035600 -5.42106 -5.2647 -10.654 -71.0771 52.82 55.2865 37.2139 25.7066 -431.907 PRESSAVG: 4035600 -21.5389 11.0438 -44.2558 11.0438 34.0181 32.0932 -44.2558 32.0932 -10.1399 GPRESSAVG: 4035600 -21.89 11.7976 -42.3794 11.377 34.7994 34.8793 -45.1934 30.7163 -10.9255 TIMING: 4035600 CPU: 11996.5, 0.00293743/step Wall: 11996.5, 0.00293743/step, 0.786904 hours remaining, 208.796875 MB of memory in use. ENERGY: 4035600 754.2215 2130.7978 1941.3061 117.2302 -206044.9063 17711.0876 0.0000 0.0000 33916.6105 -149473.6526 296.2022 -183390.2631 -149382.0799 298.8696 -164.6695 -128.1695 558605.9617 0.7797 0.6613 PRESSURE: 4035800 -127.811 -13.4299 -4.64177 -13.431 -46.4483 111.69 -4.64163 111.688 27.1088 GPRESSURE: 4035800 -111.404 55.9462 11.7971 -27.1497 26.4196 220.273 42.9983 -29.4384 30.6165 PRESSAVG: 4035800 13.363 -24.8021 49.9774 -24.8022 33.5839 35.4739 49.9774 35.474 -21.9914 GPRESSAVG: 4035800 13.882 -23.9258 49.6117 -26.6782 33.4228 35.2965 48.8876 35.8146 -21.2327 TIMING: 4035800 CPU: 11997.1, 0.00292923/step Wall: 11997.1, 0.00292923/step, 0.784545 hours remaining, 208.796875 MB of memory in use. ENERGY: 4035800 764.3121 2045.3319 1912.4497 117.6801 -206568.1920 17922.6254 0.0000 0.0000 34275.5263 -149530.2666 299.3367 -183805.7928 -149430.5419 298.1651 -49.0501 -18.1226 557147.2609 8.3185 8.6907 PRESSURE: 4036000 -274.825 22.6716 -37.6921 22.672 32.4157 105.564 -37.6897 105.563 -71.1373 GPRESSURE: 4036000 -200.564 40.0784 -9.20184 -21.0909 45.5132 31.2485 -114.191 216.973 -67.2646 PRESSAVG: 4036000 -21.3563 -3.35257 17.8481 -3.35254 30.0872 71.8783 17.848 71.8783 32.0798 GPRESSAVG: 4036000 -22.6236 -5.62369 17.3972 -1.60083 30.9423 68.85 18.1318 73.8503 32.0892 TIMING: 4036000 CPU: 11997.6, 0.00291849/step Wall: 11997.6, 0.00291849/step, 0.781506 hours remaining, 208.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4036000 765.4350 2130.5138 1935.4389 118.5456 -206419.1418 17734.0329 0.0000 0.0000 34247.1888 -149487.9868 299.0892 -183735.1756 -149391.4404 298.5961 -104.5156 -74.1052 558193.3912 13.6036 13.4693 PRESSURE: 4036200 76.0405 -50.9594 37.2968 -50.9586 108.141 -99.1511 37.2965 -99.1504 -383.529 GPRESSURE: 4036200 82.0431 -29.393 8.64952 5.87219 128.047 -95.472 72.58 -159.544 -317.059 PRESSAVG: 4036200 -33.1139 -67.4532 44.0722 -67.4531 53.1542 -28.2943 44.0722 -28.2943 -3.70135 GPRESSAVG: 4036200 -32.5919 -68.3761 43.9786 -67.3859 51.1682 -24.6291 46.2297 -31.2298 -2.22158 TIMING: 4036200 CPU: 11998.2, 0.00292884/step Wall: 11998.2, 0.00292884/step, 0.784115 hours remaining, 208.796875 MB of memory in use. ENERGY: 4036200 735.3524 2084.7702 1941.6147 103.9212 -206330.0221 17941.9678 0.0000 0.0000 34019.4685 -149502.9273 297.1005 -183522.3959 -149411.0861 298.8050 -66.4491 -35.6565 558676.4854 5.4463 5.4516 LDB: ============= START OF LOAD BALANCING ============== 12001.8 LDB: ============== END OF LOAD BALANCING =============== 12001.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12001.8 LDB: ============= START OF LOAD BALANCING ============== 12002.1 LDB: Largest compute 4809 load 0.021260 is 18.0% of average load 0.118409 LDB: Average compute 0.001720 is 1.5% of average load 0.118409 LDB: TIME 12002.1 LOAD: AVG 0.118409 MAX 0.197251 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.23 MB LDB: TIME 12002.1 LOAD: AVG 0.118409 MAX 0.197251 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.234 MB LDB: TIME 12002.1 LOAD: AVG 0.118409 MAX 0.197251 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.234 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12002.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12002.1 PRESSURE: 4036400 -295.908 -24.3977 -16.9796 -24.3982 -297.213 120.964 -16.9816 120.964 -205.206 GPRESSURE: 4036400 -273.871 -74.0455 -45.9509 7.23887 -271.466 78.5467 47.253 150.464 -169.676 PRESSAVG: 4036400 23.2052 -40.3777 29.5923 -40.3778 0.788282 31.9761 29.5923 31.9762 -23.3616 GPRESSAVG: 4036400 22.4917 -37.0978 30.6186 -41.2038 2.24217 32.0394 28.734 32.4955 -24.0963 TIMING: 4036400 CPU: 11998.8, 0.00299004/step Wall: 11998.8, 0.00299004/step, 0.800333 hours remaining, 207.511719 MB of memory in use. ENERGY: 4036400 770.0699 2055.4834 1928.7855 115.4245 -205853.5049 17367.0414 0.0000 0.0000 34002.3200 -149614.3803 296.9507 -183616.7002 -149522.4046 297.6799 -266.1088 -238.3377 557655.4479 0.2106 0.2125 PRESSURE: 4036600 -140.776 111.489 94.8068 111.489 -130.559 101.193 94.8064 101.19 -1.22097 GPRESSURE: 4036600 -110.928 209.948 17.109 45.2622 -145.675 -15.0461 104.044 160.719 74.657 PRESSAVG: 4036600 60.3429 -1.55008 33.6384 -1.54997 -73.9764 55.0675 33.6384 55.0675 4.71594 GPRESSAVG: 4036600 61.7218 -1.35731 33.2988 -2.04126 -73.8713 53.3026 34.4521 54.9611 3.4113 TIMING: 4036600 CPU: 11999.4, 0.00297036/step Wall: 11999.4, 0.00297036/step, 0.794902 hours remaining, 207.511719 MB of memory in use. ENERGY: 4036600 732.5037 2105.4670 1936.4605 119.8872 -206111.1846 17628.3437 0.0000 0.0000 34209.4825 -149379.0399 298.7599 -183588.5224 -149278.3010 298.2959 -90.8520 -60.6488 558282.0458 -2.9725 -2.9127 PRESSURE: 4036800 -186.651 33.8175 -10.7033 33.8182 153.393 -47.4659 -10.7033 -47.4661 45.427 GPRESSURE: 4036800 -141.003 -3.4982 -75.1362 75.0206 167.557 -55.3362 54.1561 -24.77 83.4378 PRESSAVG: 4036800 61.5908 20.9734 -20.3519 20.9735 -38.0456 83.9552 -20.3519 83.9552 -17.9636 GPRESSAVG: 4036800 61.4476 19.9365 -19.3952 21.2612 -39.098 83.9424 -20.5143 83.0131 -17.0758 TIMING: 4036800 CPU: 12000, 0.00295129/step Wall: 12000, 0.00295129/step, 0.789633 hours remaining, 207.511719 MB of memory in use. ENERGY: 4036800 740.9544 2062.2411 1943.6788 113.6847 -206502.8948 18000.3824 0.0000 0.0000 34151.6193 -149490.3340 298.2546 -183641.9533 -149396.0514 298.3700 4.0563 36.6641 557914.0874 1.8605 1.7579 PRESSURE: 4037000 148.295 99.1279 5.33377 99.1278 -142.582 -8.11778 5.33442 -8.11763 39.6438 GPRESSURE: 4037000 161.743 131.321 -28.2915 79.9232 -82.0997 -14.5152 54.7636 30.9071 55.8001 PRESSAVG: 4037000 -7.87488 11.6843 -18.4043 11.6843 59.54 -26.9824 -18.4043 -26.9824 -44.3436 GPRESSAVG: 4037000 -8.46617 11.2555 -21.2173 9.68025 59.4996 -27.2944 -17.7005 -25.9484 -43.9509 TIMING: 4037000 CPU: 12000.6, 0.0029558/step Wall: 12000.6, 0.0029558/step, 0.790677 hours remaining, 207.511719 MB of memory in use. ENERGY: 4037000 739.9352 2097.2161 1948.8408 113.1369 -206426.1917 17982.5124 0.0000 0.0000 33975.8767 -149568.6736 296.7198 -183544.5503 -149478.9006 298.6016 15.1191 45.1477 559105.0770 2.4405 2.3608 PRESSURE: 4037200 8.02681 42.9937 195.488 42.993 -129.804 101.132 195.488 101.131 -239.253 GPRESSURE: 4037200 36.4125 35.5638 177.774 80.5349 -95.7392 150.222 184.502 59.0448 -208.414 PRESSAVG: 4037200 27.8587 -23.4643 14.9267 -23.4642 26.9788 3.95882 14.9268 3.95882 -35.7983 GPRESSAVG: 4037200 28.4025 -23.7256 13.0332 -22.1418 26.564 4.75058 17.2009 4.16709 -36.0139 TIMING: 4037200 CPU: 12001.2, 0.00295692/step Wall: 12001.2, 0.00295692/step, 0.790811 hours remaining, 207.511719 MB of memory in use. ENERGY: 4037200 762.6767 2085.5802 1932.0902 110.5482 -206382.7284 17719.4724 0.0000 0.0000 34123.2915 -149649.0693 298.0072 -183772.3607 -149555.7196 298.0570 -120.3433 -89.2469 557300.4110 6.3464 6.3175 PRESSURE: 4037400 120.465 33.1985 -26.8848 33.1975 -143.438 -78.3772 -26.885 -78.3763 74.3703 GPRESSURE: 4037400 155.599 -57.2065 -49.588 70.4688 -84.2762 8.4441 -11.3488 -72.2521 64.7933 PRESSAVG: 4037400 -11.0732 5.00954 7.04594 5.00951 -21.6518 21.0233 7.04595 21.0235 42.2011 GPRESSAVG: 4037400 -11.255 3.65461 9.51178 6.05128 -20.926 20.658 4.0292 19.9355 41.6918 TIMING: 4037400 CPU: 12001.8, 0.0029408/step Wall: 12001.8, 0.0029408/step, 0.786338 hours remaining, 207.511719 MB of memory in use. ENERGY: 4037400 738.4459 2108.1868 1937.5850 128.7694 -206477.3142 17745.8238 0.0000 0.0000 34089.2560 -149729.2473 297.7100 -183818.5033 -149637.8927 298.3568 17.1327 45.3722 556719.3899 3.1587 3.1703 PRESSURE: 4037600 22.7335 -63.7678 32.447 -63.7682 -44.2177 -18.7696 32.4459 -18.7704 -47.1444 GPRESSURE: 4037600 9.88914 -40.0523 3.81465 -139.209 -6.13878 -41.6917 8.43103 -10.7895 26.9308 PRESSAVG: 4037600 16.881 2.52356 -52.4409 2.52349 -40.2778 -17.5552 -52.4409 -17.5551 10.3141 GPRESSAVG: 4037600 17.231 3.80224 -51.047 1.36213 -39.5727 -17.1506 -51.2632 -16.4895 9.74061 TIMING: 4037600 CPU: 12002.4, 0.00291894/step Wall: 12002.4, 0.00291894/step, 0.780331 hours remaining, 207.511719 MB of memory in use. ENERGY: 4037600 728.2744 2086.2029 1914.4549 103.1641 -206491.4221 17677.9714 0.0000 0.0000 34324.0047 -149657.3496 299.7601 -183981.3542 -149564.5212 297.3703 -22.8762 10.2271 557550.8869 -4.3609 -4.2004 PRESSURE: 4037800 -34.5032 118.999 21.4274 119 57.7284 15.8381 21.4266 15.8384 -150.737 GPRESSURE: 4037800 -7.74308 143.372 -67.362 95.8878 40.8679 -23.0942 106.697 109.88 -84.8742 PRESSAVG: 4037800 -4.49045 20.0029 -21.9006 20.003 44.4149 -13.5747 -21.9005 -13.5747 -15.278 GPRESSAVG: 4037800 -5.67875 18.8238 -22.0947 21.3397 45.4557 -13.4664 -22.121 -13.8184 -15.3213 TIMING: 4037800 CPU: 12002.9, 0.00292759/step Wall: 12002.9, 0.00292759/step, 0.782481 hours remaining, 207.511719 MB of memory in use. ENERGY: 4037800 720.7324 2074.6807 1931.4018 115.5359 -206324.1849 17923.0572 0.0000 0.0000 33852.1304 -149706.6465 295.6391 -183558.7769 -149605.1014 298.5209 -42.5040 -17.2498 557815.5699 8.2155 8.1519 PRESSURE: 4038000 29.9221 -33.8921 4.1147 -33.8934 -109.365 132.382 4.11519 132.382 -90.256 GPRESSURE: 4038000 67.4832 -9.39047 -18.6255 -92.9328 -80.2141 47.1988 -61.2492 180.384 -71.9345 PRESSAVG: 4038000 -8.64887 3.2216 -55.0657 3.22158 -10.7191 -10.1256 -55.0657 -10.1256 11.6878 GPRESSAVG: 4038000 -8.47762 4.31899 -55.4324 1.76706 -10.7369 -8.93194 -56.8203 -9.83763 12.1413 TIMING: 4038000 CPU: 12003.5, 0.00294524/step Wall: 12003.5, 0.00294524/step, 0.787034 hours remaining, 207.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4038000 748.5295 2011.1791 1918.6734 118.7193 -206378.1459 17710.8008 0.0000 0.0000 34119.6061 -149750.6378 297.9750 -183870.2439 -149654.2911 298.3517 -56.5662 -28.2218 557317.0996 -2.5600 -2.3578 PRESSURE: 4038200 2.47602 -169.679 -15.6175 -169.679 128.46 62.5169 -15.6192 62.5157 -184.446 GPRESSURE: 4038200 65.2162 -195.942 -27.095 -194.697 143.195 116.491 49.007 50.6884 -173.22 PRESSAVG: 4038200 73.5568 1.14754 -28.2108 1.14746 -21.9923 15.475 -28.2108 15.475 -6.83015 GPRESSAVG: 4038200 73.6329 1.04412 -26.3018 1.52896 -22.2746 15.3091 -26.8674 15.5528 -6.1239 TIMING: 4038200 CPU: 12004.1, 0.0029543/step Wall: 12004.1, 0.0029543/step, 0.78929 hours remaining, 207.769531 MB of memory in use. ENERGY: 4038200 764.4474 2090.6974 1904.7656 120.5440 -206592.2426 17854.1061 0.0000 0.0000 34149.0985 -149708.5834 298.2326 -183857.6820 -149613.6934 297.6996 -17.8365 11.7305 557565.7902 14.9114 15.0781 PRESSURE: 4038400 -21.9879 -47.6893 -37.2923 -47.6889 -182.481 -74.5369 -37.2926 -74.5366 107.542 GPRESSURE: 4038400 -123.309 -69.0177 -102.371 0.13172 -85.0836 -90.0007 -22.9197 -163.638 204.232 PRESSAVG: 4038400 53.453 -50.6616 -10.5794 -50.6616 19.0118 33.2061 -10.5792 33.2062 -64.6012 GPRESSAVG: 4038400 53.985 -50.8082 -11.7686 -49.861 18.6508 32.3432 -9.85204 35.1305 -64.293 TIMING: 4038400 CPU: 12004.7, 0.00297732/step Wall: 12004.7, 0.00297732/step, 0.795275 hours remaining, 207.769531 MB of memory in use. ENERGY: 4038400 699.9262 2096.6207 1922.4035 119.9328 -206646.1495 17797.2179 0.0000 0.0000 34055.5464 -149954.5019 297.4156 -184010.0483 -149858.6942 297.7064 -32.3092 -1.3867 557753.8624 2.6212 2.7810 PRESSURE: 4038600 -364.188 -275.969 -63.564 -275.969 200.328 74.818 -63.5641 74.8169 47.7595 GPRESSURE: 4038600 -296.77 -152.149 -96.337 -357.613 204.922 96.4807 -12.8971 19.6712 77.475 PRESSAVG: 4038600 3.84924 -39.2516 -60.7162 -39.2517 -4.70032 -1.0638 -60.7162 -1.06365 23.1477 GPRESSAVG: 4038600 4.4611 -39.7515 -62.1003 -39.6284 -5.28099 -0.942553 -60.3127 -0.50902 23.9138 TIMING: 4038600 CPU: 12005.3, 0.00294636/step Wall: 12005.3, 0.00294637/step, 0.786843 hours remaining, 207.769531 MB of memory in use. ENERGY: 4038600 778.1188 2053.9698 1935.2466 111.8550 -206724.0579 17834.9816 0.0000 0.0000 34238.9328 -149770.9534 299.0171 -184009.8862 -149678.9984 297.9910 -38.7002 -4.7909 557643.1402 7.4322 7.6980 PRESSURE: 4038800 16.8936 34.7721 -153.739 34.7714 -134.096 -30.8895 -153.738 -30.8894 -261.695 GPRESSURE: 4038800 28.0488 62.7108 -102.219 2.6172 -144.644 -89.1583 -126.558 -29.9342 -169.292 PRESSAVG: 4038800 71.7799 1.87629 -40.7018 1.87637 -13.746 34.4057 -40.7018 34.4057 -15.962 GPRESSAVG: 4038800 71.8166 3.90994 -38.4739 1.82103 -14.5092 33.6446 -43.945 34.1623 -15.7314 TIMING: 4038800 CPU: 12005.9, 0.00293093/step Wall: 12005.9, 0.00293093/step, 0.782558 hours remaining, 207.769531 MB of memory in use. ENERGY: 4038800 707.5690 2040.8339 1945.7907 103.3248 -206154.2926 17557.2881 0.0000 0.0000 34170.1711 -149629.3149 298.4166 -183799.4860 -149532.7017 298.1837 -126.2989 -95.2958 558737.5040 14.0240 13.8587 PRESSURE: 4039000 -322.976 -1.83006 -34.8934 -1.83046 -291.743 -59.7735 -34.8922 -59.7747 -124.57 GPRESSURE: 4039000 -338.464 24.3021 -82.4433 13.9443 -194.592 -121.073 -0.388467 11.349 -101.685 PRESSAVG: 4039000 24.5923 4.01179 8.74584 4.01185 -21.9975 -34.6707 8.74588 -34.6707 -22.551 GPRESSAVG: 4039000 24.7891 1.79921 7.7515 4.5372 -21.0262 -34.7438 10.5057 -34.84 -23.7908 TIMING: 4039000 CPU: 12006.5, 0.00294542/step Wall: 12006.5, 0.00294542/step, 0.786264 hours remaining, 207.769531 MB of memory in use. ENERGY: 4039000 806.6307 2046.3855 1938.1171 117.4324 -206272.2193 17740.9909 0.0000 0.0000 34096.2833 -149526.3794 297.7713 -183622.6627 -149432.4028 298.4161 -246.4295 -211.5804 559241.4618 -6.6520 -6.6760 PRESSURE: 4039200 33.8751 106.667 -101.635 106.669 58.0302 -36.7847 -101.635 -36.7839 125.887 GPRESSURE: 4039200 89.0338 91.0212 -140.097 28.7432 20.83 -39.7167 -92.704 -18.9257 209.838 PRESSAVG: 4039200 66.8149 35.9527 -8.46843 35.9527 -10.1425 -17.6766 -8.46842 -17.6765 -36.512 GPRESSAVG: 4039200 65.4033 38.2285 -8.32604 33.1182 -9.16188 -16.864 -8.04872 -18.1145 -36.6911 TIMING: 4039200 CPU: 12007.1, 0.00293154/step Wall: 12007.1, 0.00293154/step, 0.782395 hours remaining, 207.769531 MB of memory in use. ENERGY: 4039200 742.2185 2114.6924 1917.2004 106.5008 -206420.0181 17916.9535 0.0000 0.0000 34368.2804 -149254.1721 300.1467 -183622.4525 -149157.1983 299.3228 72.5974 106.5673 556588.1364 6.7201 6.5168 PRESSURE: 4039400 -90.1367 -236.573 -43.4788 -236.573 148.245 58.6164 -43.4781 58.6169 147.643 GPRESSURE: 4039400 -37.0896 -192.296 -66.1413 -220.777 185.384 49.2503 -50.6101 48.8859 161.13 PRESSAVG: 4039400 -12.8583 37.1133 5.65039 37.1133 -49.2868 39.7457 5.65044 39.7457 30.7486 GPRESSAVG: 4039400 -12.3367 36.7318 4.68471 39.0232 -49.9986 38.8841 6.68741 38.9559 30.8219 TIMING: 4039400 CPU: 12007.7, 0.0029507/step Wall: 12007.7, 0.0029507/step, 0.787345 hours remaining, 207.769531 MB of memory in use. ENERGY: 4039400 714.5069 2064.1240 1928.9902 110.9712 -206609.4711 18070.3797 0.0000 0.0000 34175.4883 -149545.0106 298.4630 -183720.4990 -149442.5233 299.5690 68.5837 103.1415 556641.2478 -10.4655 -10.5045 PRESSURE: 4039600 93.509 -67.1646 -158.833 -67.1638 -82.7032 55.5717 -158.833 55.5702 192.728 GPRESSURE: 4039600 133.035 -95.2535 -71.6089 15.3786 -19.3711 -22.1205 -218.504 60.2723 180.847 PRESSAVG: 4039600 -19.0944 1.45328 -53.4013 1.45333 -17.8172 10.5634 -53.4012 10.5635 43.5049 GPRESSAVG: 4039600 -17.5251 -0.183289 -54.2393 2.25263 -17.5851 9.86225 -53.1197 10.1791 41.9703 TIMING: 4039600 CPU: 12008.3, 0.00298232/step Wall: 12008.3, 0.00298232/step, 0.795616 hours remaining, 207.769531 MB of memory in use. ENERGY: 4039600 752.5496 2046.9453 1967.3717 113.4231 -206761.0833 18155.4002 0.0000 0.0000 34166.4421 -149558.9512 298.3840 -183725.3933 -149465.5073 298.5886 67.8445 98.1704 557784.2556 2.1978 2.2867 PRESSURE: 4039800 82.9065 41.9945 -99.0058 41.9959 -210.18 -59.0722 -99.0063 -59.0708 -85.2094 GPRESSURE: 4039800 118.885 48.6841 -78.7045 -6.35119 -187.369 -7.53662 -126.776 -87.3356 -40.4538 PRESSAVG: 4039800 24.694 -4.35631 -0.395498 -4.3563 -57.6954 14.0771 -0.395538 14.077 13.9468 GPRESSAVG: 4039800 24.8557 -5.08659 1.72628 -4.94537 -57.8935 14.6261 -2.339 14.1625 14.5322 TIMING: 4039800 CPU: 12008.8, 0.00294491/step Wall: 12008.8, 0.00294491/step, 0.785473 hours remaining, 207.769531 MB of memory in use. ENERGY: 4039800 718.5682 2070.7508 1904.0174 120.0456 -206399.9369 17850.8372 0.0000 0.0000 34232.5944 -149503.1233 298.9618 -183735.7177 -149402.7065 298.1467 -70.8277 -36.3126 558170.9978 -6.3516 -6.1685 PRESSURE: 4040000 267.895 12.8296 -47.179 12.829 222.763 -12.0516 -47.1796 -12.0533 316.504 GPRESSURE: 4040000 285.868 28.4951 -24.4657 -43.7987 255.145 76.3851 -86.9242 -31.9054 366.616 PRESSAVG: 4040000 3.93943 -11.7313 -6.57433 -11.7313 -75.0234 -20.794 -6.57441 -20.794 90.6164 GPRESSAVG: 4040000 2.61878 -11.3488 -7.54449 -10.3529 -74.4836 -17.419 -5.80977 -22.6578 91.4225 TIMING: 4040000 CPU: 12009.4, 0.00293991/step Wall: 12009.4, 0.00293991/step, 0.783977 hours remaining, 207.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4040000 738.4636 2029.9857 1905.3651 113.7127 -206860.9266 18459.8752 0.0000 0.0000 34237.2570 -149376.2673 299.0025 -183613.5243 -149276.0554 299.0484 269.0541 302.5431 558747.0049 6.5108 6.5192 PRESSURE: 4040200 -129.133 -39.7801 -7.42818 -39.7799 18.1775 -158.12 -7.42812 -158.12 263.21 GPRESSURE: 4040200 -47.5654 -81.0965 -8.01001 -77.4551 98.874 -202.634 -39.3396 -101.623 201.102 PRESSAVG: 4040200 -12.5884 -25.9191 -29.4778 -25.9192 -15.8651 34.2215 -29.4778 34.2214 80.1285 GPRESSAVG: 4040200 -11.507 -26.3232 -28.2099 -26.952 -16.241 31.2402 -27.7258 35.9325 79.1727 TIMING: 4040200 CPU: 12010, 0.00293976/step Wall: 12010, 0.00293976/step, 0.783773 hours remaining, 207.769531 MB of memory in use. ENERGY: 4040200 695.3671 2012.4782 1933.1998 119.8713 -206893.2836 18073.8529 0.0000 0.0000 34499.2040 -149559.3102 301.2901 -184058.5142 -149457.6248 298.8603 50.7515 84.1368 558364.5103 17.2250 17.1415 LDB: ============= START OF LOAD BALANCING ============== 12013.6 LDB: ============== END OF LOAD BALANCING =============== 12013.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12013.6 LDB: ============= START OF LOAD BALANCING ============== 12013.9 LDB: Largest compute 4809 load 0.021885 is 18.5% of average load 0.118309 LDB: Average compute 0.001724 is 1.5% of average load 0.118309 LDB: TIME 12013.9 LOAD: AVG 0.118309 MAX 0.196086 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 12013.9 LOAD: AVG 0.118309 MAX 0.196086 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: TIME 12013.9 LOAD: AVG 0.118309 MAX 0.196086 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12013.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12013.9 PRESSURE: 4040400 -85.235 -74.0126 -74.0804 -74.0119 49.2333 12.5495 -74.0797 12.5504 151.596 GPRESSURE: 4040400 -78.1279 -110.946 -79.9331 -72.3844 60.2156 -4.56142 -91.0973 20.0992 235.48 PRESSAVG: 4040400 3.32455 -37.8522 -19.546 -37.8522 -12.6653 0.529721 -19.5459 0.529664 12.7477 GPRESSAVG: 4040400 3.70148 -37.2595 -21.5641 -37.0948 -12.834 1.76728 -20.8572 -0.258876 12.8523 TIMING: 4040400 CPU: 12010.6, 0.00301597/step Wall: 12010.6, 0.00301597/step, 0.803923 hours remaining, 207.054688 MB of memory in use. ENERGY: 4040400 747.5583 2028.4864 1932.5797 115.4326 -206638.5676 18046.3590 0.0000 0.0000 34152.1386 -149616.0129 298.2591 -183768.1515 -149519.9921 298.6666 38.5314 72.5226 559367.8631 1.1357 1.2399 PRESSURE: 4040600 318.305 0.803999 -56.1882 0.803748 348.499 -11.1135 -56.1875 -11.1142 144.792 GPRESSURE: 4040600 418.847 40.8898 -75.4947 2.90556 318.876 79.2751 -104.479 -68.2991 177.236 PRESSAVG: 4040600 5.62457 3.70237 -71.4984 3.70245 -5.00623 8.78503 -71.4982 8.78502 17.9591 GPRESSAVG: 4040600 4.81919 4.35145 -70.2433 4.91349 -5.25291 7.80075 -71.5356 10.4899 18.4598 TIMING: 4040600 CPU: 12011.2, 0.00294704/step Wall: 12011.2, 0.00294704/step, 0.785387 hours remaining, 207.054688 MB of memory in use. ENERGY: 4040600 695.8602 2057.1958 1937.6389 116.4907 -206581.7318 18311.2354 0.0000 0.0000 34097.9199 -149365.3909 297.7856 -183463.3108 -149275.2341 298.9364 270.5319 304.9865 558689.5006 6.1925 6.0087 PRESSURE: 4040800 -19.2379 5.6367 -136.946 5.6369 -18.78 6.76361 -136.947 6.76396 -216.61 GPRESSURE: 4040800 5.26555 19.9762 -62.9601 35.0315 21.0399 -46.4651 -210.776 18.7379 -181.632 PRESSAVG: 4040800 2.62316 -15.3736 -13.1375 -15.3736 18.3433 -87.6806 -13.1375 -87.6808 -34.2644 GPRESSAVG: 4040800 2.23024 -17.5828 -14.0342 -17.588 18.4846 -87.7359 -10.4113 -90.1852 -33.5638 TIMING: 4040800 CPU: 12011.8, 0.00294392/step Wall: 12011.8, 0.00294392/step, 0.784392 hours remaining, 207.054688 MB of memory in use. ENERGY: 4040800 752.4405 2039.8275 1943.6078 118.1125 -206020.7020 17696.9787 0.0000 0.0000 34252.9441 -149216.7909 299.1395 -183469.7350 -149124.4357 299.0535 -84.8759 -51.7754 557777.2475 -4.4326 -4.2830 PRESSURE: 4041000 26.8503 8.74121 -102.788 8.73975 147.715 -77.3213 -102.788 -77.3229 -154.145 GPRESSURE: 4041000 20.4029 22.7797 -142.036 5.46246 149.736 -57.308 -153.513 -39.9022 -63.2364 PRESSAVG: 4041000 -24.3061 1.10419 -50.0482 1.10432 31.3549 -8.24343 -50.0481 -8.24346 5.24368 GPRESSAVG: 4041000 -24.9993 2.99586 -50.3062 0.17276 32.0714 -7.98318 -50.6833 -5.92401 5.28812 TIMING: 4041000 CPU: 12012.4, 0.00292291/step Wall: 12012.4, 0.00292291/step, 0.778631 hours remaining, 207.054688 MB of memory in use. ENERGY: 4041000 719.9989 2162.5149 1922.3827 110.2532 -206207.7486 17751.9904 0.0000 0.0000 34306.7624 -149233.8461 299.6095 -183540.6085 -149139.9248 298.9738 6.8070 35.6340 557476.7698 4.0975 4.1201 PRESSURE: 4041200 -437.405 7.93749 -9.87793 7.93714 -121.156 142.903 -9.87705 142.901 -258.749 GPRESSURE: 4041200 -332.347 -43.4967 -14.9288 9.86106 -139.114 163.765 24.1271 164.829 -243.469 PRESSAVG: 4041200 53.7735 -29.0479 -0.592526 -29.0479 -0.470127 41.2143 -0.592465 41.2144 -68.2996 GPRESSAVG: 4041200 54.6798 -29.0128 -1.96806 -27.0835 -1.59264 42.0084 -2.04395 39.2492 -67.7761 TIMING: 4041200 CPU: 12013, 0.00292855/step Wall: 12013, 0.00292855/step, 0.779969 hours remaining, 207.054688 MB of memory in use. ENERGY: 4041200 786.1521 2088.8845 1925.2478 101.7243 -206097.1824 17507.5500 0.0000 0.0000 34468.5933 -149219.0303 301.0228 -183687.6236 -149117.3007 299.9104 -272.4364 -238.3101 558782.0888 -4.9988 -4.8963 PRESSURE: 4041400 248.803 121.223 -69.5309 121.222 -94.5964 10.7123 -69.5313 10.7149 -85.8418 GPRESSURE: 4041400 260.563 59.5944 -57.2402 133.093 -33.7593 79.9484 -92.3317 -38.1427 -72.9862 PRESSAVG: 4041400 -7.10381 29.6771 -4.16001 29.677 51.842 29.0319 -4.16007 29.0319 -8.68303 GPRESSAVG: 4041400 -7.04295 27.4606 -4.34242 30.5915 52.1546 30.3468 -2.15309 29.2242 -9.2718 TIMING: 4041400 CPU: 12013.6, 0.00292444/step Wall: 12013.6, 0.00292444/step, 0.778714 hours remaining, 207.054688 MB of memory in use. ENERGY: 4041400 732.9543 2082.1704 1938.8517 99.8416 -206248.8373 17877.3757 0.0000 0.0000 34268.4856 -149249.1579 299.2752 -183517.6435 -149141.9346 299.3629 22.7884 51.2724 556863.7380 12.0184 11.9466 PRESSURE: 4041600 -254.272 70.0073 -23.1248 70.0068 -166.872 -111.141 -23.1257 -111.142 86.9845 GPRESSURE: 4041600 -291.375 1.85523 -98.0259 151.335 -88.3309 -130.078 -54.0669 -13.0128 140.642 PRESSAVG: 4041600 3.07071 -39.8647 -43.3138 -39.8648 14.5201 33.2187 -43.3139 33.2187 -50.6485 GPRESSAVG: 4041600 3.05606 -38.8102 -41.4742 -40.3059 14.372 32.0127 -47.1176 35.3071 -50.4769 TIMING: 4041600 CPU: 12014.1, 0.00292997/step Wall: 12014.1, 0.00292997/step, 0.780023 hours remaining, 207.054688 MB of memory in use. ENERGY: 4041600 796.0257 2132.4117 1938.7882 123.2389 -206401.5964 17877.2605 0.0000 0.0000 34270.2154 -149263.6561 299.2903 -183533.8715 -149167.7876 299.0844 -111.3865 -79.6880 558476.6958 -11.0192 -11.0163 PRESSURE: 4041800 225.753 171.531 78.9538 171.531 29.2865 35.8196 78.9538 35.8196 153.517 GPRESSURE: 4041800 231.29 167.934 -21.0953 217.279 15.4402 80.4739 66.1754 56.0289 262.943 PRESSAVG: 4041800 -59.5765 -21.9227 -23.3561 -21.9226 6.8295 20.8993 -23.3562 20.8993 -31.6454 GPRESSAVG: 4041800 -58.4212 -22.1501 -24.6791 -22.7074 6.26083 20.6382 -21.685 19.8139 -31.7604 TIMING: 4041800 CPU: 12014.7, 0.00295192/step Wall: 12014.7, 0.00295192/step, 0.785703 hours remaining, 207.054688 MB of memory in use. ENERGY: 4041800 719.5356 2123.4490 1934.1424 114.7528 -206090.2117 18043.4259 0.0000 0.0000 33977.8848 -149177.0212 296.7373 -183154.9060 -149083.9563 299.0260 136.1854 169.8910 558742.5206 -28.1308 -27.9736 PRESSURE: 4042000 25.307 82.7293 -1.27746 82.7306 -59.2378 186.738 -1.27658 186.737 151.832 GPRESSURE: 4042000 75.6361 88.3224 13.1609 63.2231 -18.2993 227.122 -1.81996 111.977 154.332 PRESSAVG: 4042000 87.6664 24.3566 19.9201 24.3566 -14.6777 47.614 19.92 47.614 9.76186 GPRESSAVG: 4042000 87.7087 22.6933 21.3103 23.6013 -13.4026 46.8311 18.4538 48.0399 8.66974 TIMING: 4042000 CPU: 12015.3, 0.00294802/step Wall: 12015.3, 0.00294802/step, 0.784502 hours remaining, 207.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4042000 732.2367 2076.8565 1940.7813 125.2927 -206235.4810 17734.9022 0.0000 0.0000 34435.0286 -149190.3831 300.7297 -183625.4117 -149097.3032 299.2891 39.3004 70.5562 556581.4435 27.5835 27.6586 PRESSURE: 4042200 -198.569 -8.99627 0.310048 -8.99604 -58.2262 91.8126 0.311935 91.8133 -92.0521 GPRESSURE: 4042200 -186.892 32.7585 -82.5358 14.207 15.4331 121.974 78.5538 86.4979 -80.5168 PRESSAVG: 4042200 -12.838 35.8858 -12.2101 35.8858 40.5277 66.6057 -12.2102 66.6056 -18.4326 GPRESSAVG: 4042200 -13.4236 37.6592 -13.2004 35.0479 40.2466 65.8447 -13.2403 65.6229 -17.6742 TIMING: 4042200 CPU: 12015.9, 0.00295439/step Wall: 12015.9, 0.00295439/step, 0.786031 hours remaining, 207.054688 MB of memory in use. ENERGY: 4042200 706.5049 2053.8087 1928.6104 113.7737 -205877.0951 17612.3126 0.0000 0.0000 34217.7935 -149244.2913 298.8325 -183462.0848 -149151.9486 298.9682 -116.2825 -83.9918 557732.6289 3.0857 3.0496 PRESSURE: 4042400 152.429 240.251 -8.49104 240.251 47.1079 -10.6245 -8.48982 -10.6244 -45.695 GPRESSURE: 4042400 157.678 197.045 58.4386 146.331 50.2663 -1.3154 -29.1815 -41.9306 55.3225 PRESSAVG: 4042400 -3.63021 0.499541 -32.0512 0.499528 28.4495 55.2884 -32.0512 55.2884 -39.0056 GPRESSAVG: 4042400 -4.08354 0.89303 -30.477 0.97784 28.5187 56.0281 -32.3253 57.5824 -38.5043 TIMING: 4042400 CPU: 12016.5, 0.00296392/step Wall: 12016.5, 0.00296392/step, 0.788402 hours remaining, 207.054688 MB of memory in use. ENERGY: 4042400 754.8349 2039.3584 1931.7505 103.0842 -206628.3536 17971.9049 0.0000 0.0000 34534.7466 -149292.6741 301.6005 -183827.4207 -149188.7126 299.7060 51.2805 87.7556 556798.4032 -4.7288 -4.6897 PRESSURE: 4042600 2.44179 178.626 27.9335 178.627 -281.706 -94.2616 27.9345 -94.2604 167.84 GPRESSURE: 4042600 60.7509 124.11 98.8371 171.581 -239.211 -23.2261 -85.6166 -100.963 168.865 PRESSAVG: 4042600 89.4488 -10.5569 -11.9693 -10.557 -20.2206 -7.86694 -11.9693 -7.86698 -49.1032 GPRESSAVG: 4042600 91.2957 -12.1438 -14.1418 -9.26882 -19.6646 -6.19348 -11.2746 -10.1732 -51.3132 TIMING: 4042600 CPU: 12017.1, 0.00295072/step Wall: 12017.1, 0.00295072/step, 0.784728 hours remaining, 207.054688 MB of memory in use. ENERGY: 4042600 743.2572 2045.2139 1944.3297 113.9548 -206256.8020 17784.5984 0.0000 0.0000 34258.9001 -149366.5480 299.1915 -183625.4481 -149265.7297 298.4225 -37.1411 -3.1985 557357.0123 6.7083 6.7726 PRESSURE: 4042800 -141.418 -68.0662 -19.183 -68.0663 7.70135 -8.28025 -19.1834 -8.28051 -160.664 GPRESSURE: 4042800 -126.526 -85.7461 85.2848 -42.3022 50.4343 152.347 -113.888 -32.5164 -114.515 PRESSAVG: 4042800 10.9973 36.4056 48.8184 36.4055 2.77676 -24.6602 48.8185 -24.6602 16.1468 GPRESSAVG: 4042800 8.73925 36.8435 48.5659 34.8498 3.39849 -22.8264 48.7738 -26.9683 17.8812 TIMING: 4042800 CPU: 12017.7, 0.0029635/step Wall: 12017.7, 0.0029635/step, 0.787961 hours remaining, 207.054688 MB of memory in use. ENERGY: 4042800 708.0711 2088.3368 1918.5991 119.9238 -206400.7218 17836.6127 0.0000 0.0000 34250.2689 -149478.9094 299.1161 -183729.1783 -149385.6303 298.7629 -98.1269 -63.5355 558391.3114 9.9736 10.0063 PRESSURE: 4043000 -57.4252 -29.1438 -193.167 -29.1443 -97.0327 -108.058 -193.166 -108.057 -16.4498 GPRESSURE: 4043000 3.58504 -92.7953 -157.916 42.7915 -64.489 -122.614 -242.529 -89.2356 -12.3261 PRESSAVG: 4043000 -57.6209 9.08166 29.9922 9.08162 22.875 -41.5165 29.9922 -41.5165 17.6062 GPRESSAVG: 4043000 -57.5302 8.33928 29.3855 10.7355 21.669 -45.1667 32.8065 -37.3402 18.2876 TIMING: 4043000 CPU: 12018.3, 0.00296382/step Wall: 12018.3, 0.00296382/step, 0.787881 hours remaining, 207.054688 MB of memory in use. ENERGY: 4043000 735.1471 2114.7807 1922.3268 121.8980 -206170.8570 17720.7579 0.0000 0.0000 34055.2697 -149500.6767 297.4131 -183555.9464 -149397.9112 298.7249 -56.9692 -24.4100 557063.8886 -5.7132 -5.8579 PRESSURE: 4043200 79.3081 69.7072 -44.1919 69.7063 73.4023 81.5397 -44.1917 81.5408 274.174 GPRESSURE: 4043200 52.4283 22.9366 -2.85924 82.3498 174.681 -5.78091 -90.3711 173.973 298.944 PRESSAVG: 4043200 -32.0374 -10.8194 27.9613 -10.8194 -25.4294 11.0658 27.9613 11.0658 47.4324 GPRESSAVG: 4043200 -31.1455 -10.3805 31.0339 -11.9375 -26.0502 9.62296 24.3548 8.93208 47.4313 TIMING: 4043200 CPU: 12018.9, 0.00296362/step Wall: 12018.9, 0.00296362/step, 0.787663 hours remaining, 207.054688 MB of memory in use. ENERGY: 4043200 746.1386 2066.4633 1949.0547 111.8918 -206377.9915 18043.1842 0.0000 0.0000 34007.2759 -149453.9829 296.9940 -183461.2589 -149352.1077 298.5238 142.2950 175.3513 556225.1236 -3.3448 -3.2548 PRESSURE: 4043400 168.511 177.984 260.021 177.985 152.855 1.68083 260.021 1.67975 -196.549 GPRESSURE: 4043400 215.878 173.767 217.28 157.971 162.752 18.8067 228.136 -27.7211 -174.305 PRESSAVG: 4043400 -21.4858 18.0406 -26.6532 18.0406 8.74172 64.9808 -26.6533 64.9809 -35.4452 GPRESSAVG: 4043400 -22.2875 17.4879 -27.1515 18.6465 8.9765 66.6925 -25.6543 63.5404 -36.0756 TIMING: 4043400 CPU: 12019.5, 0.002938/step Wall: 12019.5, 0.002938/step, 0.780692 hours remaining, 207.054688 MB of memory in use. ENERGY: 4043400 726.2820 2110.3947 1935.7700 131.9446 -206307.0593 17912.8695 0.0000 0.0000 34049.8515 -149439.9470 297.3658 -183489.7985 -149346.6363 297.7059 41.6058 68.1082 557515.5848 -16.0631 -16.4622 PRESSURE: 4043600 137.777 -8.88341 -117.792 -8.88503 -122.524 -18.5335 -117.793 -18.5315 86.1093 GPRESSURE: 4043600 212.009 44.4298 -192.524 -23.4139 -108.86 -19.7365 10.4222 23.3828 93.7755 PRESSAVG: 4043600 -22.5274 0.698023 -12.6267 0.698034 38.8141 -3.08161 -12.6267 -3.08159 7.65457 GPRESSAVG: 4043600 -23.4604 2.6346 -13.049 -0.486074 39.4953 -2.43732 -12.0774 -2.59376 7.61183 TIMING: 4043600 CPU: 12020.1, 0.00293388/step Wall: 12020.1, 0.00293388/step, 0.779434 hours remaining, 207.054688 MB of memory in use. ENERGY: 4043600 745.0525 2056.9311 1928.0072 108.3855 -206405.2224 17918.7595 0.0000 0.0000 34340.1721 -149307.9145 299.9013 -183648.0866 -149210.1475 298.4645 33.7874 65.6414 556874.2283 7.9804 7.8822 PRESSURE: 4043800 -178.408 -104.556 -7.31834 -104.557 10.2168 140.335 -7.31918 140.334 -150.414 GPRESSURE: 4043800 -218.861 -10.19 11.7928 -187.578 130.985 72.997 -52.6213 127.104 -139.962 PRESSAVG: 4043800 45.3593 -10.3565 -0.245085 -10.3566 45.4674 3.16807 -0.245065 3.16807 -63.3612 GPRESSAVG: 4043800 45.8196 -11.7602 -0.935346 -9.34483 44.8592 2.79212 -0.336028 5.35853 -63.4587 TIMING: 4043800 CPU: 12020.6, 0.00293871/step Wall: 12020.6, 0.00293871/step, 0.780555 hours remaining, 207.054688 MB of memory in use. ENERGY: 4043800 773.2814 1997.6152 1928.9305 98.2103 -206280.2454 17871.5260 0.0000 0.0000 34184.3081 -149426.3739 298.5401 -183610.6820 -149328.9838 299.3392 -106.2019 -75.9460 557385.6098 9.1552 9.0734 PRESSURE: 4044000 -2.63133 15.9369 70.5836 15.9368 -71.0718 -66.46 70.5834 -66.4608 187.779 GPRESSURE: 4044000 41.4973 -23.9851 118.293 23.7594 -72.4391 -57.221 64.9208 -14.5354 248.076 PRESSAVG: 4044000 -79.0836 -15.7189 -17.6962 -15.719 90.5948 9.53262 -17.6963 9.5327 11.8711 GPRESSAVG: 4044000 -78.4071 -14.0912 -19.3839 -15.3574 90.111 9.78733 -17.5057 9.03346 11.1631 TIMING: 4044000 CPU: 12021.2, 0.0029333/step Wall: 12021.2, 0.0029333/step, 0.778954 hours remaining, 207.054688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4044000 762.5227 2057.0086 1921.8841 111.4983 -206155.5552 17863.9642 0.0000 0.0000 34017.6747 -149421.0026 297.0848 -183438.6773 -149326.2086 298.5961 38.0254 72.3781 557305.9042 7.7941 7.6223 PRESSURE: 4044200 80.2254 7.94454 -37.4037 7.94521 115.412 -12.0256 -37.403 -12.026 83.5613 GPRESSURE: 4044200 48.3302 -130.264 -29.7083 14.44 159.638 -30.6629 -35.231 34.4062 179.507 PRESSAVG: 4044200 -69.921 -10.7207 -14.7312 -10.7207 -0.0568936 -22.6036 -14.7314 -22.6037 37.9816 GPRESSAVG: 4044200 -69.7608 -13.967 -14.8168 -11.7826 0.512524 -23.1674 -14.9514 -23.8447 37.5129 TIMING: 4044200 CPU: 12021.8, 0.00293286/step Wall: 12021.8, 0.00293286/step, 0.778675 hours remaining, 207.054688 MB of memory in use. ENERGY: 4044200 714.3242 2060.5107 1902.4766 125.8528 -206505.5721 17933.3306 0.0000 0.0000 34383.9367 -149385.1405 300.2835 -183769.0772 -149292.3781 298.6349 93.0664 129.1586 556864.8001 -10.6654 -10.5785 LDB: ============= START OF LOAD BALANCING ============== 12025.4 LDB: ============== END OF LOAD BALANCING =============== 12025.4 LDB: =============== DONE WITH MIGRATION ================ 12025.4 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 12025.7 LDB: Largest compute 4809 load 0.022245 is 18.8% of average load 0.118283 LDB: Average compute 0.001719 is 1.5% of average load 0.118283 LDB: TIME 12025.7 LOAD: AVG 0.118283 MAX 0.196082 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.594 MB LDB: TIME 12025.7 LOAD: AVG 0.118283 MAX 0.196082 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.793 MB LDB: TIME 12025.7 LOAD: AVG 0.118283 MAX 0.196082 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.793 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12025.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12025.7 PRESSURE: 4044400 0.0148356 -118.058 -40.9146 -118.059 129.846 -134.63 -40.9135 -134.63 113.729 GPRESSURE: 4044400 67.3933 -85.7709 -122.792 -97.6335 134.243 -122.932 -132.58 -160.247 142.511 PRESSAVG: 4044400 -94.3075 -49.2421 -20.5783 -49.2422 0.352874 -10.0281 -20.5782 -10.0279 41.0279 GPRESSAVG: 4044400 -95.7861 -46.0955 -18.8144 -48.4555 0.257849 -10.7388 -20.9782 -9.66452 42.6054 TIMING: 4044400 CPU: 12022.4, 0.00299772/step Wall: 12022.4, 0.00299772/step, 0.795729 hours remaining, 207.492188 MB of memory in use. ENERGY: 4044400 747.8403 2070.4956 1925.5893 110.4738 -206604.2316 18087.2612 0.0000 0.0000 34259.4756 -149403.0958 299.1965 -183662.5714 -149305.9714 298.7863 81.1967 114.7155 555812.3541 -17.6423 -17.6410 PRESSURE: 4044600 -134.155 -36.337 -83.309 -36.3372 -169.983 99.8059 -83.3091 99.8057 -181.073 GPRESSURE: 4044600 -89.4991 17.674 -138.492 -11.4929 -165.442 120.499 -72.2489 60.2803 -122.093 PRESSAVG: 4044600 -24.3194 -38.4895 -37.0901 -38.4895 38.5476 -6.42325 -37.0901 -6.42327 30.832 GPRESSAVG: 4044600 -25.7978 -39.7067 -38.9382 -39.139 39.2554 -4.99648 -35.7583 -5.86792 31.6845 TIMING: 4044600 CPU: 12023, 0.00291663/step Wall: 12023, 0.00291663/step, 0.774042 hours remaining, 207.695312 MB of memory in use. ENERGY: 4044600 777.0518 2000.4241 1947.6306 115.8750 -206118.3550 17791.3680 0.0000 0.0000 34166.3134 -149319.6920 298.3829 -183486.0054 -149223.6064 299.2848 -161.7371 -125.6779 558012.7625 15.0201 15.0474 PRESSURE: 4044800 -111.122 -70.1021 121.14 -70.1016 -55.0864 32.1971 121.14 32.1949 -212.767 GPRESSURE: 4044800 -76.4583 -77.7255 -33.5405 -36.3839 -23.9913 -15.7729 153.145 82.2452 -168.452 PRESSAVG: 4044800 -28.884 35.998 -43.6853 35.9979 -29.2673 -23.9376 -43.6853 -23.9377 53.1093 GPRESSAVG: 4044800 -26.0651 37.8368 -41.8432 36.5647 -30.2911 -25.5299 -44.1916 -23.443 51.2472 TIMING: 4044800 CPU: 12023.6, 0.00292035/step Wall: 12023.6, 0.00292035/step, 0.774865 hours remaining, 207.695312 MB of memory in use. ENERGY: 4044800 760.9353 2004.3431 1932.6477 123.5487 -206186.6408 17738.2250 0.0000 0.0000 34331.9066 -149295.0345 299.8291 -183626.9410 -149194.7301 298.7922 -126.3252 -89.6338 555942.0493 -1.6806 -1.7030 PRESSURE: 4045000 -284.997 32.7712 -39.3239 32.7713 -86.5331 -60.6784 -39.3245 -60.679 -175.533 GPRESSURE: 4045000 -245.107 93.0542 -15.7368 18.2147 -68.2658 -95.5753 -9.06049 -39.0641 -134.356 PRESSAVG: 4045000 30.2856 25.8764 -1.3706 25.8764 -4.572 -46.1452 -1.37059 -46.1452 -1.28395 GPRESSAVG: 4045000 28.9225 25.7705 -2.12847 24.1097 -3.64431 -46.1835 -0.982475 -46.6966 -1.17719 TIMING: 4045000 CPU: 12024.2, 0.00291683/step Wall: 12024.2, 0.00291683/step, 0.77377 hours remaining, 207.695312 MB of memory in use. ENERGY: 4045000 758.7575 2092.4654 1941.1005 103.9928 -206459.8984 17689.9621 0.0000 0.0000 34505.9362 -149367.6839 301.3489 -183873.6201 -149270.9430 299.4455 -182.3543 -149.2430 558285.6113 8.1432 8.0337 PRESSURE: 4045200 145.215 21.7463 92.244 21.7468 57.9775 39.8555 92.2435 39.8563 118.403 GPRESSURE: 4045200 165.936 -26.164 103.68 122.822 77.262 -1.3706 135.191 48.3987 203.49 PRESSAVG: 4045200 39.3546 -43.3741 -22.3181 -43.3741 20.2083 -18.2029 -22.3182 -18.2029 -38.5678 GPRESSAVG: 4045200 39.6209 -44.4969 -23.0851 -42.3007 20.5634 -17.1089 -22.0772 -18.4647 -38.9349 TIMING: 4045200 CPU: 12024.7, 0.00291728/step Wall: 12024.7, 0.00291728/step, 0.773728 hours remaining, 207.695312 MB of memory in use. ENERGY: 4045200 744.0654 2040.8188 1938.9244 113.1475 -206393.6962 18013.7931 0.0000 0.0000 34029.8752 -149513.0718 297.1914 -183542.9470 -149424.9933 298.0956 107.1985 148.8962 557001.4826 6.9984 7.0831 PRESSURE: 4045400 -343.843 54.7766 -21.5497 54.7763 -110.361 -73.9461 -21.5494 -73.9451 -217.757 GPRESSURE: 4045400 -322.247 29.3592 0.159258 61.3282 -62.2448 -64.3425 -115.625 -11.3035 -194.753 PRESSAVG: 4045400 23.0196 2.02517 -32.1425 2.02505 9.12127 -59.721 -32.1425 -59.721 -25.4928 GPRESSAVG: 4045400 23.0631 1.71075 -30.7751 3.13672 7.92212 -61.5704 -34.1028 -58.9757 -24.1262 TIMING: 4045400 CPU: 12025.3, 0.002932/step Wall: 12025.3, 0.002932/step, 0.777469 hours remaining, 207.695312 MB of memory in use. ENERGY: 4045400 729.4093 2085.0592 1907.8821 120.7993 -206234.7677 17614.7418 0.0000 0.0000 34164.2331 -149612.6428 298.3647 -183776.8759 -149514.6737 298.3015 -223.9870 -193.0818 558602.0235 2.2160 2.2863 PRESSURE: 4045600 27.4132 135.196 11.6195 135.195 46.9605 70.4468 11.6199 70.4476 -59.3159 GPRESSURE: 4045600 61.1949 147.79 40.7487 130.064 80.7476 103.928 27.8084 120.035 -28.3262 PRESSAVG: 4045600 -54.8391 -9.84453 -48.0464 -9.84459 50.5551 -5.10838 -48.0463 -5.10835 -28.8843 GPRESSAVG: 4045600 -53.8175 -10.2282 -49.7999 -9.65309 51.024 -3.89932 -44.7993 -5.60671 -29.8447 TIMING: 4045600 CPU: 12025.9, 0.00295435/step Wall: 12025.9, 0.00295435/step, 0.78323 hours remaining, 207.695312 MB of memory in use. ENERGY: 4045600 759.5248 2042.4237 1923.4698 114.7476 -206601.7855 17878.2268 0.0000 0.0000 34273.0813 -149610.3115 299.3153 -183883.3928 -149514.6577 298.4470 5.0193 37.8721 556800.1754 -11.0561 -10.8794 PRESSURE: 4045800 283.26 190.535 117.826 190.534 250.967 105.799 117.826 105.797 248.063 GPRESSURE: 4045800 325.071 163.946 127.304 242.33 251.962 73.0029 167.124 80.5619 295.365 PRESSAVG: 4045800 -7.96677 29.003 4.35495 29.003 26.9796 31.6941 4.35493 31.6942 -8.58609 GPRESSAVG: 4045800 -8.42283 30.1914 5.89503 26.6362 27.5179 33.6308 2.295 31.1758 -8.64726 TIMING: 4045800 CPU: 12026.5, 0.00294429/step Wall: 12026.5, 0.00294429/step, 0.7804 hours remaining, 207.695312 MB of memory in use. ENERGY: 4045800 727.5902 2080.6124 1923.7249 106.7748 -206825.6464 18094.9452 0.0000 0.0000 34270.2904 -149621.7085 299.2910 -183891.9989 -149530.6757 297.9547 260.7632 290.7992 555052.0543 3.4756 3.4826 PRESSURE: 4046000 293.203 -31.1627 219.201 -31.1651 -260.566 -173.91 219.201 -173.91 -172.217 GPRESSURE: 4046000 324.884 125.381 243.333 -86.0318 -154.72 -113.822 151.347 -195.713 -210.729 PRESSAVG: 4046000 67.9381 4.5271 24.7772 4.52695 51.9995 -14.7091 24.7772 -14.709 -22.7425 GPRESSAVG: 4046000 68.7553 4.21596 23.8474 6.30618 51.4458 -16.1782 25.0019 -14.425 -23.0087 TIMING: 4046000 CPU: 12027.1, 0.0029285/step Wall: 12027.1, 0.0029285/step, 0.776053 hours remaining, 207.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4046000 745.5329 2060.9393 1930.2213 108.7907 -206355.2500 17839.9761 0.0000 0.0000 34264.1144 -149405.6753 299.2370 -183669.7897 -149311.9880 298.4692 -46.5264 -13.5218 557238.1136 32.3983 32.3975 PRESSURE: 4046200 -76.2915 -121.592 -4.12941 -121.593 181.166 11.6692 -4.12841 11.6712 -130.964 GPRESSURE: 4046200 15.4404 -87.5538 64.5046 -68.9719 189.133 52.8522 15.2696 -26.1452 -113.921 PRESSAVG: 4046200 77.7756 5.96661 -3.24332 5.96659 -20.4641 -21.0848 -3.24334 -21.0849 -50.0132 GPRESSAVG: 4046200 77.7772 4.22022 -2.28165 7.58193 -20.3777 -19.8955 -3.8908 -21.3382 -50.7352 TIMING: 4046200 CPU: 12027.7, 0.00292604/step Wall: 12027.7, 0.00292604/step, 0.775238 hours remaining, 207.695312 MB of memory in use. ENERGY: 4046200 762.7021 2095.0045 1935.4533 114.9909 -206284.5379 17687.1215 0.0000 0.0000 34076.8383 -149612.4272 297.6015 -183689.2655 -149517.3445 298.0874 -8.6966 30.2175 555775.7722 2.4327 2.2214 PRESSURE: 4046400 123.607 -137.741 194.978 -137.741 -208.458 -47.5219 194.976 -47.5233 62.9572 GPRESSURE: 4046400 145.82 -137.865 127.066 -170.134 -180.389 -69.5259 224.586 -69.0754 106.445 PRESSAVG: 4046400 47.8961 3.37699 54.0349 3.37701 4.72985 -45.1516 54.035 -45.1517 -49.5662 GPRESSAVG: 4046400 46.6531 4.85352 55.0322 2.40152 4.98737 -45.8173 53.9513 -44.7366 -48.446 TIMING: 4046400 CPU: 12028.3, 0.00294712/step Wall: 12028.3, 0.00294712/step, 0.780659 hours remaining, 207.695312 MB of memory in use. ENERGY: 4046400 768.0736 2074.6836 1934.1971 108.5653 -206325.3823 17854.7575 0.0000 0.0000 33984.8979 -149600.2074 296.7986 -183585.1052 -149502.9546 297.6187 -7.2981 23.9589 556946.9571 1.0199 1.0648 PRESSURE: 4046600 -51.1369 109.976 -67.1541 109.976 28.487 -77.8971 -67.153 -77.8982 164.67 GPRESSURE: 4046600 9.25674 37.5796 -33.6395 202.973 32.3602 -109.357 -37.3601 -69.8677 193.698 PRESSAVG: 4046600 0.029202 -37.7024 7.92462 -37.7023 -35.2278 -47.5375 7.92459 -47.5374 38.7326 GPRESSAVG: 4046600 0.582847 -38.2722 7.61221 -38.194 -36.0961 -46.8034 7.49135 -48.9394 38.3266 TIMING: 4046600 CPU: 12028.9, 0.00295483/step Wall: 12028.9, 0.00295483/step, 0.782538 hours remaining, 207.695312 MB of memory in use. ENERGY: 4046600 746.7437 2039.4105 1916.0330 109.6752 -206461.9006 17870.2596 0.0000 0.0000 34414.6303 -149365.1482 300.5515 -183779.7785 -149271.6483 299.3718 47.3400 78.4385 555833.3651 1.1780 0.9378 PRESSURE: 4046800 184.022 47.8937 -18.5998 47.8948 -68.9932 121.877 -18.5998 121.879 167.275 GPRESSURE: 4046800 162.083 32.1584 -15.4338 68.1929 -8.68429 50.6228 -19.1136 105.376 229.031 PRESSAVG: 4046800 16.1662 26.4582 29.6387 26.4584 -65.4223 1.61263 29.6387 1.61262 37.7018 GPRESSAVG: 4046800 15.2996 27.2702 29.1046 26.7109 -63.6015 -1.99416 32.2973 3.79793 36.8062 TIMING: 4046800 CPU: 12029.5, 0.00293654/step Wall: 12029.5, 0.00293654/step, 0.77753 hours remaining, 207.695312 MB of memory in use. ENERGY: 4046800 748.0733 2074.6827 1919.5300 124.6834 -206402.4361 17868.9391 0.0000 0.0000 34162.4724 -149504.0554 298.3494 -183666.5278 -149412.1329 298.7340 94.1014 127.4765 554724.9676 -3.8514 -3.8319 PRESSURE: 4047000 124.817 100.014 20.7147 100.014 -39.6347 159.763 20.7135 159.764 260.878 GPRESSURE: 4047000 162.743 152.018 -0.234349 59.4846 -35.7697 139.8 124.326 157.341 306.241 PRESSAVG: 4047000 -1.29388 3.88106 13.3373 3.88114 -54.6416 -9.50993 13.3373 -9.50998 47.6938 GPRESSAVG: 4047000 -1.14028 3.29519 11.5632 3.49288 -55.8173 -7.30171 12.8709 -9.6608 48.4498 TIMING: 4047000 CPU: 12030, 0.00294436/step Wall: 12030, 0.00294436/step, 0.779438 hours remaining, 207.695312 MB of memory in use. ENERGY: 4047000 718.3985 2035.6736 1945.3704 111.6048 -206197.8447 17907.2896 0.0000 0.0000 34174.9273 -149304.5804 298.4581 -183479.5076 -149211.1492 299.1996 115.3536 144.4047 556167.5674 -2.7472 -2.8359 PRESSURE: 4047200 57.9583 -47.7931 113.948 -47.7931 46.7762 -62.1896 113.947 -62.1897 -43.9521 GPRESSURE: 4047200 69.7171 -68.0088 84.2061 -85.128 93.6442 -69.7123 131.864 -55.716 -3.37459 PRESSAVG: 4047200 -32.5062 -2.00979 21.0321 -2.00976 8.05031 6.90169 21.032 6.90155 19.4843 GPRESSAVG: 4047200 -32.6194 -1.98062 23.1022 -3.68159 8.03576 6.94884 19.1363 5.84799 19.4032 TIMING: 4047200 CPU: 12030.6, 0.00295547/step Wall: 12030.6, 0.00295547/step, 0.782214 hours remaining, 207.695312 MB of memory in use. ENERGY: 4047200 747.1653 2022.7655 1950.9933 112.3769 -206250.7715 17838.3660 0.0000 0.0000 34263.3314 -149315.7732 299.2302 -183579.1046 -149220.4459 298.7591 20.2608 53.3289 556472.8823 -1.6572 -1.7268 PRESSURE: 4047400 -62.0581 16.2449 16.9661 16.2451 212.427 132.972 16.9659 132.971 -182.666 GPRESSURE: 4047400 -34.283 61.7884 -13.816 -47.6179 221.54 137.288 65.7083 106.592 -125.092 PRESSAVG: 4047400 17.9921 -3.32189 -20.5824 -3.32194 33.8179 -13.9872 -20.5824 -13.9873 -37.1616 GPRESSAVG: 4047400 17.5454 -3.57603 -21.8619 -2.49104 33.8722 -14.7789 -19.8194 -14.0665 -36.4428 TIMING: 4047400 CPU: 12031.2, 0.00296374/step Wall: 12031.2, 0.00296374/step, 0.784239 hours remaining, 207.695312 MB of memory in use. ENERGY: 4047400 693.9795 2108.1240 1956.2611 113.4628 -205975.3639 17584.5606 0.0000 0.0000 34150.5023 -149368.4737 298.2448 -183518.9759 -149281.5769 299.3788 -10.7657 20.7217 555813.9829 4.8828 4.9916 PRESSURE: 4047600 86.2063 83.9686 21.8337 83.9682 161.481 -59.8263 21.8337 -59.8257 107.968 GPRESSURE: 4047600 171.571 1.74461 -1.64121 64.5824 191.312 -27.6365 38.293 -58.2464 89.9039 PRESSAVG: 4047600 25.8909 -0.444764 5.76073 -0.444825 6.89307 -30.7006 5.76078 -30.7007 -47.73 GPRESSAVG: 4047600 27.5135 0.999824 7.7535 -0.569827 6.06188 -31.2356 4.58696 -29.458 -48.7794 TIMING: 4047600 CPU: 12031.8, 0.00290958/step Wall: 12031.8, 0.00290958/step, 0.769747 hours remaining, 207.695312 MB of memory in use. ENERGY: 4047600 732.1628 2054.4152 1922.6300 117.5299 -206424.9085 17868.7434 0.0000 0.0000 34208.0278 -149521.3995 298.7472 -183729.4273 -149428.7895 298.9198 118.5516 150.9291 557067.6861 -4.9820 -5.0680 PRESSURE: 4047800 -54.5556 -100.278 -32.0197 -100.276 -176.344 -147.147 -32.02 -147.149 -35.9335 GPRESSURE: 4047800 -11.1393 -46.0525 -102.153 -100.082 -178.364 -59.4318 -45.0897 -156.939 12.9807 PRESSAVG: 4047800 51.1746 3.86022 22.2606 3.86021 20.0367 27.2815 22.2606 27.2815 -44.7225 GPRESSAVG: 4047800 48.7645 3.57627 24.4424 3.76111 20.8519 28.3516 21.7599 24.2658 -43.7142 TIMING: 4047800 CPU: 12032.4, 0.00294048/step Wall: 12032.4, 0.00294048/step, 0.777757 hours remaining, 207.695312 MB of memory in use. ENERGY: 4047800 734.9163 2133.4110 1946.3053 108.8687 -206454.3231 17704.5650 0.0000 0.0000 34268.0727 -149558.1842 299.2716 -183826.2568 -149470.8156 298.8065 -88.9444 -58.8408 557795.9829 8.8296 8.6341 PRESSURE: 4048000 -170.773 177.528 60.7131 177.53 -3.92129 62.4557 60.7148 62.4571 -152.137 GPRESSURE: 4048000 -170.32 61.2989 9.8694 221.238 30.7938 118.148 75.5217 117.288 -88.7349 PRESSAVG: 4048000 -0.522801 43.3185 -20.7257 43.3184 6.49874 45.247 -20.7257 45.247 8.76704 GPRESSAVG: 4048000 0.622786 42.3017 -24.2459 45.4128 5.78567 45.5041 -18.0004 46.6334 8.8376 TIMING: 4048000 CPU: 12033, 0.00292274/step Wall: 12033, 0.00292274/step, 0.772903 hours remaining, 207.695312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4048000 749.9986 2058.8398 1966.2788 111.3448 -206632.2919 17906.8567 0.0000 0.0000 34228.9764 -149609.9968 298.9302 -183838.9732 -149512.6069 298.6189 -108.9438 -76.0869 558173.2044 4.9143 5.0820 PRESSURE: 4048200 -299.854 51.0525 -16.5653 51.0529 -214.817 61.2969 -16.5666 61.2975 -173.376 GPRESSURE: 4048200 -317.206 102.893 -35.7209 5.14802 -147.453 114.861 17.9271 99.2517 -126.144 PRESSAVG: 4048200 -14.3244 33.6241 40.9752 33.6242 26.4141 -26.3061 40.9752 -26.3061 -51.7778 GPRESSAVG: 4048200 -15.7716 34.3182 41.9978 32.5731 28.0305 -27.4426 40.0205 -24.8159 -51.94 TIMING: 4048200 CPU: 12033.6, 0.00294678/step Wall: 12033.6, 0.00294678/step, 0.779096 hours remaining, 207.695312 MB of memory in use. ENERGY: 4048200 758.7957 2109.4512 1938.3164 123.3674 -206287.8141 17499.1327 0.0000 0.0000 34304.7213 -149554.0293 299.5917 -183858.7507 -149455.1653 298.7510 -229.3489 -196.9343 557211.3243 -13.2294 -13.2270 LDB: ============= START OF LOAD BALANCING ============== 12037.1 LDB: ============== END OF LOAD BALANCING =============== 12037.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12037.1 LDB: ============= START OF LOAD BALANCING ============== 12037.4 LDB: Largest compute 4809 load 0.022199 is 18.8% of average load 0.118322 LDB: Average compute 0.001730 is 1.5% of average load 0.118322 LDB: TIME 12037.4 LOAD: AVG 0.118322 MAX 0.197038 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.438 MB LDB: TIME 12037.4 LOAD: AVG 0.118322 MAX 0.197038 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.496 MB LDB: TIME 12037.4 LOAD: AVG 0.118322 MAX 0.197038 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.496 MB LDB: ============== END OF LOAD BALANCING =============== 12037.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12037.4 PRESSURE: 4048400 -188.176 83.5627 156.241 83.5635 -119.667 125.507 156.24 125.507 77.7987 GPRESSURE: 4048400 -186.414 55.8993 173.869 86.3741 -43.1555 81.526 54.1687 153.517 105.225 PRESSAVG: 4048400 -5.67194 0.248408 70.3717 0.248353 -43.4474 -39.1805 70.3717 -39.1803 73.8225 GPRESSAVG: 4048400 -4.09716 -0.329978 67.4505 0.270608 -43.8046 -38.3424 70.7751 -41.2538 72.6251 TIMING: 4048400 CPU: 12034.2, 0.00302092/step Wall: 12034.2, 0.00302092/step, 0.798529 hours remaining, 207.378906 MB of memory in use. ENERGY: 4048400 734.7079 2120.4170 1940.3778 112.4263 -206687.8901 17728.0771 0.0000 0.0000 34529.4697 -149522.4142 301.5544 -184051.8839 -149420.0687 298.8159 -76.6813 -41.4482 556451.9291 8.2344 8.2411 PRESSURE: 4048600 -215.973 11.6121 0.770408 11.6134 -23.7212 -70.9797 0.772195 -70.9823 173.261 GPRESSURE: 4048600 -173.731 -2.86177 62.4921 -38.8442 9.48416 -26.325 -33.6549 -59.7105 209.711 PRESSAVG: 4048600 -31.0754 2.49825 18.87 2.49826 -88.9701 2.58558 18.87 2.58555 140.547 GPRESSAVG: 4048600 -31.1839 2.1957 21.163 2.65415 -90.0075 4.09422 17.7643 2.69324 141.443 TIMING: 4048600 CPU: 12034.8, 0.00294431/step Wall: 12034.8, 0.00294431/step, 0.778115 hours remaining, 207.378906 MB of memory in use. ENERGY: 4048600 749.1446 2070.7755 1950.7725 106.1589 -206845.5564 18063.1801 0.0000 0.0000 34449.8437 -149455.6811 300.8591 -183905.5248 -149362.8688 298.6908 -22.1446 15.1549 557186.6812 6.8339 6.7506 PRESSURE: 4048800 -50.7432 -101.897 85.6213 -101.898 -250.181 61.0189 85.6214 61.0183 -94.5488 GPRESSURE: 4048800 -34.4305 -119.971 -5.15465 -42.6086 -230.19 96.304 122.001 94.229 -35.6391 PRESSAVG: 4048800 -13.5655 32.158 29.3308 32.158 -19.2662 7.87706 29.3307 7.87712 38.2364 GPRESSAVG: 4048800 -13.7744 30.7461 30.022 31.4573 -19.0844 5.68465 29.8158 9.62047 38.3584 TIMING: 4048800 CPU: 12035.3, 0.0029342/step Wall: 12035.3, 0.0029342/step, 0.775282 hours remaining, 207.378906 MB of memory in use. ENERGY: 4048800 774.3601 2080.3129 1956.8801 109.3983 -206243.3267 17650.6360 0.0000 0.0000 34218.3995 -149453.3398 298.8378 -183671.7394 -149357.1306 298.9875 -131.8245 -100.0864 556155.7645 1.8016 1.8332 PRESSURE: 4049000 126.352 -42.2727 128.403 -42.2718 -95.7359 34.2328 128.402 34.2321 -9.21782 GPRESSURE: 4049000 139.45 -1.64039 74.6253 -31.8141 -54.8726 98.9889 83.0231 -32.2954 29.3688 PRESSAVG: 4049000 39.0874 37.9664 -37.0789 37.9665 -86.9339 29.4025 -37.0789 29.4024 45.9908 GPRESSAVG: 4049000 38.7487 40.7596 -39.2553 37.3561 -86.4947 31.8681 -35.4867 26.4681 46.0277 TIMING: 4049000 CPU: 12035.9, 0.00294017/step Wall: 12035.9, 0.00294017/step, 0.776694 hours remaining, 207.378906 MB of memory in use. ENERGY: 4049000 770.1108 2110.9788 1947.1406 105.7127 -206381.5879 17918.4268 0.0000 0.0000 34146.3114 -149382.9067 298.2082 -183529.2182 -149289.2875 298.8316 7.1328 37.9821 558514.3792 -0.6185 -0.5728 PRESSURE: 4049200 82.4632 32.1261 53.8589 32.1253 51.6478 18.0706 53.8581 18.0689 182.65 GPRESSURE: 4049200 124.643 -18.849 23.3766 37.2726 68.3185 -24.6638 -10.8181 86.2335 220.918 PRESSAVG: 4049200 84.0864 53.6535 -25.4504 53.6536 -97.1808 -26.853 -25.4504 -26.853 -12.1266 GPRESSAVG: 4049200 84.8459 53.9069 -24.7078 55.4371 -96.6485 -27.0805 -26.4998 -25.9289 -13.5371 TIMING: 4049200 CPU: 12036.5, 0.00293968/step Wall: 12036.5, 0.00293968/step, 0.776401 hours remaining, 207.378906 MB of memory in use. ENERGY: 4049200 712.8435 2110.1632 1935.9608 125.4954 -206804.4490 18008.8066 0.0000 0.0000 34438.5190 -149472.6606 300.7602 -183911.1796 -149373.6176 299.6087 105.5871 137.9599 557627.6052 -8.4070 -8.4466 PRESSURE: 4049400 63.2967 -26.7184 -66.1284 -26.7184 -261.435 35.4337 -66.1267 35.4333 -172.444 GPRESSURE: 4049400 85.8559 51.1334 60.4254 -16.5092 -204.508 -53.5968 -152.66 119.344 -152.005 PRESSAVG: 4049400 34.5095 38.4417 -17.4063 38.4417 -21.5244 23.5974 -17.4063 23.5974 -11.308 GPRESSAVG: 4049400 34.8894 36.9681 -17.5229 36.4311 -22.0399 23.6981 -17.8184 23.6032 -11.6421 TIMING: 4049400 CPU: 12037.1, 0.00297015/step Wall: 12037.1, 0.00297015/step, 0.784284 hours remaining, 207.378906 MB of memory in use. ENERGY: 4049400 737.3201 2126.4697 1955.5834 125.8142 -206257.6030 17753.7834 0.0000 0.0000 34152.7806 -149405.8516 298.2647 -183558.6322 -149310.2235 298.6418 -123.5273 -90.2190 558444.7820 0.5590 0.4025 PRESSURE: 4049600 -158.952 -39.7829 -88.129 -39.7817 -200.823 148.482 -88.1282 148.482 -223.106 GPRESSURE: 4049600 -138.502 -90.4719 -126.075 4.35462 -221.804 119.253 -90.0323 196.503 -121.706 PRESSAVG: 4049600 22.8442 16.5995 6.69324 16.5995 7.63548 45.8953 6.69328 45.8953 -41.6111 GPRESSAVG: 4049600 22.2929 15.4608 6.6667 17.5337 6.09523 47.3141 6.51734 43.3887 -39.4592 TIMING: 4049600 CPU: 12037.7, 0.0029698/step Wall: 12037.7, 0.0029698/step, 0.784027 hours remaining, 207.378906 MB of memory in use. ENERGY: 4049600 758.8456 2079.8449 1919.7470 116.9897 -206444.5748 17834.7963 0.0000 0.0000 34331.4134 -149402.9380 299.8248 -183734.3514 -149302.5103 299.3835 -194.2936 -160.6708 558170.8966 -3.7105 -3.6904 PRESSURE: 4049800 -231.788 37.6437 52.8035 37.6437 -53.1707 39.1916 52.8043 39.1903 -123.603 GPRESSURE: 4049800 -195.582 24.2892 73.7682 70.5602 -14.6981 -35.2341 17.6825 76.5854 -109.192 PRESSAVG: 4049800 2.68582 15.3138 -61.9039 15.3138 13.5749 7.37854 -61.9038 7.3784 -6.82982 GPRESSAVG: 4049800 2.94631 16.7992 -60.6789 14.1703 13.5172 4.13876 -61.4403 11.7068 -6.61153 TIMING: 4049800 CPU: 12038.3, 0.00292634/step Wall: 12038.3, 0.00292634/step, 0.772391 hours remaining, 207.378906 MB of memory in use. ENERGY: 4049800 753.6937 2128.1384 1915.9131 112.5815 -206365.7851 17792.3142 0.0000 0.0000 34403.5239 -149259.6204 300.4545 -183663.1443 -149161.7240 299.4601 -136.1870 -106.4908 558394.3769 3.1436 3.2840 PRESSURE: 4050000 -15.7858 89.9211 -24.9542 89.9191 -6.52159 -50.9917 -24.9551 -50.9932 -62.291 GPRESSURE: 4050000 57.2436 80.5638 -106.204 66.1578 7.7064 -103.615 -34.9609 -81.2135 -44.704 PRESSAVG: 4050000 -10.8851 -18.4707 -13.2998 -18.4708 52.497 3.25141 -13.2998 3.25151 -39.3549 GPRESSAVG: 4050000 -11.724 -18.8093 -14.5919 -15.7395 53.8659 5.97774 -13.3725 2.64074 -40.4787 TIMING: 4050000 CPU: 12038.9, 0.00292693/step Wall: 12038.9, 0.00292693/step, 0.772384 hours remaining, 207.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4050000 769.1577 2089.2979 1933.2404 109.3419 -206566.6677 17924.1751 0.0000 0.0000 34568.1343 -149173.3203 301.8921 -183741.4546 -149080.2651 300.0356 -28.1995 6.7487 557203.5572 0.7523 0.5544 PRESSURE: 4050200 -115.679 14.1659 54.3119 14.1661 -18.6973 -48.6892 54.3112 -48.6897 -122.329 GPRESSURE: 4050200 -61.9377 63.8544 9.36669 6.10654 -4.96365 -39.1421 73.4666 -133.943 -94.2451 PRESSAVG: 4050200 -10.9766 -6.9551 -73.5623 -6.95517 -2.82829 -7.47168 -73.5623 -7.47166 4.51929 GPRESSAVG: 4050200 -11.7749 -6.49592 -74.1137 -7.84987 -2.84062 -10.7068 -72.6779 -7.96251 5.54488 TIMING: 4050200 CPU: 12039.5, 0.00293402/step Wall: 12039.5, 0.00293402/step, 0.774093 hours remaining, 207.378906 MB of memory in use. ENERGY: 4050200 749.6287 2073.5605 1942.8727 100.4434 -206483.0069 17865.6062 0.0000 0.0000 34387.8581 -149363.0373 300.3177 -183750.8954 -149259.5813 299.4612 -85.5685 -53.7155 557908.9580 -3.0952 -3.0236 PRESSURE: 4050400 -37.6801 65.1296 29.9205 65.1308 103.279 63.6847 29.922 63.6869 -26.8364 GPRESSURE: 4050400 -22.4907 41.7196 174.248 19.588 120.81 9.76383 13.9841 1.24841 42.0938 PRESSAVG: 4050400 -71.1648 10.4136 -12.0197 10.4137 35.2635 4.81598 -12.0197 4.81604 8.21236 GPRESSAVG: 4050400 -69.6756 12.8611 -13.2045 7.54496 34.5783 7.39831 -11.5582 4.3999 6.90886 TIMING: 4050400 CPU: 12040.1, 0.00293666/step Wall: 12040.1, 0.00293666/step, 0.774626 hours remaining, 207.378906 MB of memory in use. ENERGY: 4050400 749.7953 2100.0679 1959.3737 121.4091 -206437.8157 17914.2260 0.0000 0.0000 34292.3073 -149300.6364 299.4832 -183592.9437 -149204.8977 299.4100 12.9210 46.8042 556842.4286 -9.2297 -9.3962 PRESSURE: 4050600 -92.9512 0.218065 -24.4918 0.219154 -203.473 -114.189 -24.4924 -114.189 -45.4009 GPRESSURE: 4050600 -33.4836 30.7781 -86.6917 -7.66121 -207.003 -39.4363 -11.5956 -131.133 5.28449 PRESSAVG: 4050600 93.2261 -29.2271 -35.2386 -29.2271 20.5477 -11.2821 -35.2386 -11.2822 -37.3228 GPRESSAVG: 4050600 92.9961 -31.6961 -31.9872 -28.7645 20.8968 -14.9516 -36.2541 -9.29998 -37.072 TIMING: 4050600 CPU: 12040.6, 0.00294467/step Wall: 12040.6, 0.00294467/step, 0.776575 hours remaining, 207.378906 MB of memory in use. ENERGY: 4050600 744.8087 2088.3236 1955.1606 121.0421 -206520.9251 17752.4573 0.0000 0.0000 34400.5361 -149458.5966 300.4284 -183859.1327 -149367.1140 299.4520 -113.9416 -78.4006 557676.5322 25.4837 25.6070 PRESSURE: 4050800 246.833 -20.8231 -102.84 -20.8238 -245.641 15.383 -102.84 15.382 139.694 GPRESSURE: 4050800 252.286 -19.0078 -118.8 6.60975 -220.057 -26.3297 -186.106 65.4097 220.867 PRESSAVG: 4050800 -36.1278 -2.89447 25.0444 -2.8945 -32.5466 18.2083 25.0445 18.2083 38.3944 GPRESSAVG: 4050800 -35.6293 -3.17564 23.1141 -1.33757 -32.8794 21.2809 25.0454 17.4776 38.784 TIMING: 4050800 CPU: 12041.2, 0.00295612/step Wall: 12041.2, 0.00295612/step, 0.779429 hours remaining, 207.378906 MB of memory in use. ENERGY: 4050800 734.1869 2052.0663 1922.1982 122.6800 -206605.7872 17955.6032 0.0000 0.0000 34294.0228 -149525.0298 299.4982 -183819.0526 -149425.1476 298.7410 46.9622 84.3651 556439.7816 -10.0933 -9.9082 PRESSURE: 4051000 -66.9336 18.2392 -14.8932 18.2396 14.5826 -74.5736 -14.8932 -74.5711 34.2504 GPRESSURE: 4051000 -28.016 -7.97573 -10.1633 60.1256 71.4183 -127.8 34.9916 50.8096 33.2744 PRESSAVG: 4051000 68.8581 -1.30588 -48.455 -1.30582 -81.1001 -19.3711 -48.455 -19.371 58.9501 GPRESSAVG: 4051000 68.8491 -0.864104 -49.8297 -0.551917 -79.9748 -18.3797 -46.3957 -20.9031 58.0514 TIMING: 4051000 CPU: 12041.8, 0.00297533/step Wall: 12041.8, 0.00297533/step, 0.784331 hours remaining, 207.378906 MB of memory in use. ENERGY: 4051000 741.7702 2110.5729 1919.7273 106.2038 -206721.8056 18022.2893 0.0000 0.0000 34273.2192 -149548.0228 299.3165 -183821.2421 -149453.6404 298.9705 -6.0335 25.5589 557691.1219 15.5694 15.6419 PRESSURE: 4051200 50.3482 131.829 134.296 131.83 -60.641 -110.979 134.296 -110.98 -157.277 GPRESSURE: 4051200 1.48782 113.168 138.078 123.981 -61.4869 -82.5287 137.315 -90.8307 1.38188 PRESSAVG: 4051200 -24.2677 28.017 7.16394 28.0169 -9.04688 -28.1379 7.16385 -28.1379 23.4793 GPRESSAVG: 4051200 -24.2777 28.7652 8.78151 25.6524 -10.929 -31.9935 4.94415 -26.2156 25.3778 TIMING: 4051200 CPU: 12042.4, 0.0029436/step Wall: 12042.4, 0.0029436/step, 0.775803 hours remaining, 207.378906 MB of memory in use. ENERGY: 4051200 771.3208 2087.6611 1939.3506 114.0823 -206641.5187 17852.0336 0.0000 0.0000 34270.0803 -149606.9901 299.2891 -183877.0704 -149508.3015 298.6214 -55.8567 -19.5391 556085.3526 -3.2784 -3.2763 PRESSURE: 4051400 40.2366 -64.1752 2.74082 -64.1746 -216.712 71.2429 2.74082 71.242 54.2773 GPRESSURE: 4051400 75.8571 -79.7671 15.7003 -152.007 -198.174 72.0971 69.1856 19.9218 94.6184 PRESSAVG: 4051400 -3.41643 61.8571 13.4579 61.8572 -61.3565 -19.9196 13.4581 -19.9196 102.711 GPRESSAVG: 4051400 -3.10262 62.2415 10.6078 62.3629 -61.8408 -16.8012 17.5261 -21.6513 102.405 TIMING: 4051400 CPU: 12043, 0.0029488/step Wall: 12043, 0.0029488/step, 0.777009 hours remaining, 207.378906 MB of memory in use. ENERGY: 4051400 753.8761 2132.9875 1910.7116 111.9333 -206747.4627 17910.1218 0.0000 0.0000 34305.4022 -149622.4303 299.5976 -183927.8325 -149529.7284 298.9923 -40.7326 -9.2329 556621.9377 12.6461 12.4873 PRESSURE: 4051600 -20.343 -25.2912 39.7703 -25.2899 -3.7074 -10.3767 39.7706 -10.3773 -146.44 GPRESSURE: 4051600 -16.8471 35.9864 93.4301 -36.4435 70.6527 66.2624 6.45772 27.2388 -109.454 PRESSAVG: 4051600 21.4192 39.3005 45.0192 39.3005 -41.551 -7.94522 45.0192 -7.94515 44.0361 GPRESSAVG: 4051600 19.8422 39.1472 49.5579 39.5472 -39.8995 -8.84804 39.7306 -6.80675 43.9306 TIMING: 4051600 CPU: 12043.6, 0.00296573/step Wall: 12043.6, 0.00296573/step, 0.781304 hours remaining, 207.378906 MB of memory in use. ENERGY: 4051600 761.4376 2093.6204 1912.4931 111.2212 -206310.6919 17791.8426 0.0000 0.0000 34044.1106 -149595.9664 297.3157 -183640.0770 -149496.8862 298.7616 -56.8300 -18.5496 558381.9421 7.9681 7.9578 PRESSURE: 4051800 1.46526 171.723 49.206 171.723 -41.8463 12.8736 49.2069 12.8758 -178.775 GPRESSURE: 4051800 37.6084 183.996 11.3592 84.3275 -37.4935 1.81986 73.8978 -9.94556 -134.057 PRESSAVG: 4051800 69.992 -5.82109 -7.20325 -5.82105 -5.19469 8.54792 -7.2033 8.54792 -35.9675 GPRESSAVG: 4051800 70.7569 -6.58671 -9.0214 -6.4583 -6.73808 7.59168 -4.2979 8.60082 -35.0302 TIMING: 4051800 CPU: 12044.2, 0.00293171/step Wall: 12044.2, 0.00293171/step, 0.772181 hours remaining, 207.378906 MB of memory in use. ENERGY: 4051800 715.4585 2044.9030 1941.5906 111.5653 -205974.4261 17630.3240 0.0000 0.0000 34214.7924 -149315.7924 298.8063 -183530.5848 -149221.5237 298.6792 -73.0521 -44.6475 558940.0435 9.6100 9.6629 PRESSURE: 4052000 26.1789 153.481 83.7308 153.482 -66.6999 7.2439 83.731 7.24339 13.1519 GPRESSURE: 4052000 70.8162 190.297 148.088 81.2294 -52.5367 70.2548 69.5602 -7.02105 45.2735 PRESSAVG: 4052000 23.5383 9.37128 42.5316 9.37125 -12.0918 16.2781 42.5315 16.278 -22.8434 GPRESSAVG: 4052000 23.3282 9.76808 43.9061 10.6191 -10.0696 17.2135 40.6713 15.2594 -24.2998 TIMING: 4052000 CPU: 12044.8, 0.00297221/step Wall: 12044.8, 0.00297221/step, 0.782682 hours remaining, 207.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4052000 724.5184 2060.5346 1932.2493 120.0205 -206004.0759 17744.6823 0.0000 0.0000 34115.5365 -149306.5342 297.9395 -183422.0707 -149209.1133 299.0007 -9.1231 21.1843 559347.3457 -3.7990 -3.6804 PRESSURE: 4052200 -436.251 6.33422 -51.3421 6.33336 48.3037 -158.725 -51.3434 -158.726 -296.312 GPRESSURE: 4052200 -325.818 17.7737 44.4327 71.3368 81.9597 -41.8708 -71.0336 -219.231 -330.337 PRESSAVG: 4052200 -91.6553 56.1471 55.3232 56.1471 39.7709 -7.56625 55.3232 -7.56635 19.8264 GPRESSAVG: 4052200 -91.3843 57.1156 53.4139 55.0359 38.686 -8.12143 56.5364 -6.44133 20.597 TIMING: 4052200 CPU: 12045.4, 0.00294195/step Wall: 12045.4, 0.00294195/step, 0.774549 hours remaining, 207.378906 MB of memory in use. ENERGY: 4052200 781.0539 2159.1250 1910.2086 106.1041 -206045.7095 17682.9785 0.0000 0.0000 34378.8321 -149027.4074 300.2389 -183406.2395 -148935.1316 299.1515 -228.0863 -191.3984 559031.3275 -10.6860 -10.7004 LDB: ============= START OF LOAD BALANCING ============== 12048.9 LDB: ============== END OF LOAD BALANCING =============== 12048.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12048.9 LDB: ============= START OF LOAD BALANCING ============== 12049.2 LDB: Largest compute 4809 load 0.023038 is 19.5% of average load 0.118270 LDB: Average compute 0.001730 is 1.5% of average load 0.118270 LDB: TIME 12049.2 LOAD: AVG 0.11827 MAX 0.198175 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 12049.2 LOAD: AVG 0.11827 MAX 0.198175 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: TIME 12049.2 LOAD: AVG 0.11827 MAX 0.198175 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: ============== END OF LOAD BALANCING =============== 12049.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12049.2 PRESSURE: 4052400 7.12473 13.0463 -85.1771 13.0453 -50.9564 22.7679 -85.1777 22.7672 -87.0012 GPRESSURE: 4052400 26.6227 71.4115 -130.993 -40.5403 -25.2036 37.6163 -68.1825 -37.4929 -34.5801 PRESSAVG: 4052400 -45.6281 -2.42851 48.0665 -2.42856 104.168 36.2175 48.0664 36.2173 -29.8286 GPRESSAVG: 4052400 -46.0284 -3.01924 48.0696 -1.59492 104.502 37.9704 47.44 34.3884 -29.0292 TIMING: 4052400 CPU: 12046, 0.00303428/step Wall: 12046, 0.00303428/step, 0.798689 hours remaining, 207.511719 MB of memory in use. ENERGY: 4052400 787.3404 2096.5360 1940.3941 117.2656 -205915.9485 17775.3202 0.0000 0.0000 34193.5229 -149005.5693 298.6205 -183199.0922 -148915.2297 300.3522 -43.6110 -11.0537 559080.9473 9.5706 9.8149 PRESSURE: 4052600 -117.928 -38.0318 9.61965 -38.0312 -151.42 53.8569 9.61818 53.8572 -274.581 GPRESSURE: 4052600 -81.3466 -35.4998 -6.52337 -2.38435 -145.783 40.1735 -37.4359 30.7827 -224.358 PRESSAVG: 4052600 19.8706 39.9289 42.2246 39.9289 -37.0927 17.7237 42.2246 17.7236 34.3468 GPRESSAVG: 4052600 20.7596 39.7421 42.1717 39.1308 -37.5529 19.7633 41.1372 16.397 33.1917 TIMING: 4052600 CPU: 12046.6, 0.00296733/step Wall: 12046.6, 0.00296733/step, 0.780902 hours remaining, 207.511719 MB of memory in use. ENERGY: 4052600 764.3226 2132.4623 1909.2865 103.2741 -205744.2884 17710.9096 0.0000 0.0000 34416.5059 -148707.5273 300.5679 -183124.0332 -148609.9604 300.4433 -181.3095 -150.4956 559836.7083 5.7082 5.4661 PRESSURE: 4052800 -162.669 102.921 -144.137 102.921 -117.35 157.041 -144.137 157.04 62.7449 GPRESSURE: 4052800 -86.9869 140.645 -231.352 102.577 -98.8337 207.203 -101.033 128.997 58.78 PRESSAVG: 4052800 -60.848 21.6659 -29.5658 21.6659 -2.33612 13.6114 -29.5658 13.6114 8.96844 GPRESSAVG: 4052800 -60.9588 20.9967 -27.7551 23.1448 -2.39835 12.6394 -29.6683 15.402 9.07248 TIMING: 4052800 CPU: 12047.2, 0.00295299/step Wall: 12047.2, 0.00295299/step, 0.776965 hours remaining, 207.511719 MB of memory in use. ENERGY: 4052800 758.8844 2090.7329 1922.0646 115.6413 -205720.0247 17832.3474 0.0000 0.0000 34193.2285 -148807.1257 298.6180 -183000.3542 -148703.9988 299.6660 -72.4247 -42.3469 560800.5100 -18.0719 -18.0949 PRESSURE: 4053000 55.9792 -8.06258 -99.8083 -8.06309 -106.5 -77.8282 -99.8092 -77.8274 -7.37143 GPRESSURE: 4053000 45.4853 -105.031 -154.205 30.0859 -84.9106 -81.8079 -0.391983 -105.222 88.2125 PRESSAVG: 4053000 -8.78609 -33.0837 -33.1957 -33.0836 58.6394 23.7694 -33.1957 23.7694 -59.1979 GPRESSAVG: 4053000 -7.85531 -34.254 -35.2304 -34.088 58.7158 22.6649 -30.6272 22.3553 -59.7723 TIMING: 4053000 CPU: 12047.8, 0.00297606/step Wall: 12047.8, 0.00297606/step, 0.782869 hours remaining, 207.511719 MB of memory in use. ENERGY: 4053000 729.5855 2087.5543 1917.9835 116.3339 -205983.6492 17833.4308 0.0000 0.0000 34412.1897 -148886.5715 300.5302 -183298.7613 -148793.0982 300.2132 -19.2973 16.2624 558764.3590 -3.1149 -2.9706 PRESSURE: 4053200 -153.922 -122.627 85.5361 -122.627 120.191 67.4881 85.5365 67.4877 187.248 GPRESSURE: 4053200 -106.639 -124.817 133.621 -66.9251 133.197 65.4952 97.9387 152.724 238.076 PRESSAVG: 4053200 -49.7114 -45.4286 -46.006 -45.4286 -17.3536 20.4588 -46.006 20.4587 75.9597 GPRESSAVG: 4053200 -50.6829 -42.5818 -45.3243 -46.533 -16.3934 18.1725 -45.454 22.0833 76.1219 TIMING: 4053200 CPU: 12048.3, 0.00294572/step Wall: 12048.3, 0.00294572/step, 0.774724 hours remaining, 207.511719 MB of memory in use. ENERGY: 4053200 753.5706 2094.1402 1926.5947 110.6548 -206338.5988 18016.6466 0.0000 0.0000 34286.1120 -149150.8800 299.4291 -183436.9920 -149054.0537 299.7610 51.1723 88.2114 557318.0242 2.9649 3.0152 PRESSURE: 4053400 -86.4269 55.2971 -14.4983 55.2962 5.72779 -9.13543 -14.4985 -9.13602 28.9163 GPRESSURE: 4053400 23.2691 127.127 46.1752 121.103 30.8489 -26.4956 -50.5103 -8.43949 -18.4703 PRESSAVG: 4053400 -24.6701 26.859 -31.1751 26.859 2.15394 10.7033 -31.175 10.7032 62.4317 GPRESSAVG: 4053400 -22.9902 25.4759 -32.0442 26.723 1.64196 11.2772 -33.0646 9.35556 61.2783 TIMING: 4053400 CPU: 12048.9, 0.00293717/step Wall: 12048.9, 0.00293718/step, 0.772314 hours remaining, 207.511719 MB of memory in use. ENERGY: 4053400 734.8733 2097.4185 1923.2457 120.5277 -206353.7017 17955.5853 0.0000 0.0000 34499.3477 -149022.7036 301.2914 -183522.0512 -148924.0953 300.0147 -17.2609 11.8826 557228.1253 13.3052 13.3100 PRESSURE: 4053600 15.0671 -65.0728 34.7648 -65.0733 -178.627 29.3218 34.7651 29.3207 -37.8253 GPRESSURE: 4053600 53.3623 -47.7747 40.6942 12.8202 -169.291 -13.3222 38.5735 114.055 2.13591 PRESSAVG: 4053600 -17.1132 45.1641 40.6415 45.1641 35.8588 11.992 40.6416 11.9921 34.2476 GPRESSAVG: 4053600 -17.7233 46.1552 42.6108 43.7565 35.4325 11.973 41.1102 13.2594 35.2863 TIMING: 4053600 CPU: 12049.5, 0.00292897/step Wall: 12049.5, 0.00292897/step, 0.769994 hours remaining, 207.511719 MB of memory in use. ENERGY: 4053600 716.9458 2086.6761 1912.1677 120.9093 -205723.2788 17723.1881 0.0000 0.0000 34283.0511 -148880.3406 299.4024 -183163.3917 -148777.3983 300.0781 -67.1285 -37.9311 559753.3493 17.6644 17.6652 PRESSURE: 4053800 67.4048 -7.00322 -7.16597 -7.00254 -252.922 48.2371 -7.16603 48.2377 -174.301 GPRESSURE: 4053800 55.89 -83.4253 -39.8792 -10.8162 -210.898 43.0049 -42.9259 117.672 -119.89 PRESSAVG: 4053800 -47.1666 -64.9368 21.9278 -64.9367 50.9168 21.9383 21.9278 21.9382 -0.0244723 GPRESSAVG: 4053800 -47.4897 -66.2885 20.4865 -64.2317 51.7107 22.5165 20.7751 21.2396 0.4639 TIMING: 4053800 CPU: 12050.1, 0.00290609/step Wall: 12050.1, 0.00290609/step, 0.763818 hours remaining, 207.511719 MB of memory in use. ENERGY: 4053800 761.0614 2041.5763 1934.0167 113.6127 -205429.5922 17536.8077 0.0000 0.0000 34265.1171 -148777.4003 299.2458 -183042.5174 -148681.6276 300.4394 -119.9396 -91.6325 558166.4359 1.2419 1.5616 PRESSURE: 4054000 -158.332 -163.941 160.504 -163.94 119.825 -53.4876 160.506 -53.4866 -24.0558 GPRESSURE: 4054000 -140.304 -157.275 110.24 -195.268 134.393 -83.2149 185.614 11.9954 41.9333 PRESSAVG: 4054000 12.0057 -59.8369 -19.1277 -59.8369 -33.6923 6.12156 -19.1277 6.12161 16.2352 GPRESSAVG: 4054000 11.0585 -58.796 -17.5065 -62.1318 -34.1645 7.54029 -18.1365 6.62878 17.6384 TIMING: 4054000 CPU: 12050.7, 0.0029388/step Wall: 12050.7, 0.0029388/step, 0.77225 hours remaining, 207.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4054000 765.0780 2083.4707 1922.5824 107.0359 -205929.8836 17853.8432 0.0000 0.0000 34458.0190 -148739.8544 300.9305 -183197.8734 -148640.0739 300.9570 -20.8542 12.0073 558006.5406 -1.8171 -1.8225 PRESSURE: 4054200 35.2274 25.711 12.3351 25.7116 -159.789 202.305 12.3355 202.303 -80.1464 GPRESSURE: 4054200 87.6277 40.8001 -41.9285 55.6586 -114.232 261.38 37.9629 152.472 -81.3385 PRESSAVG: 4054200 0.648522 -0.486685 -11.4184 -0.486755 -10.1756 14.7533 -11.4184 14.7533 64.538 GPRESSAVG: 4054200 1.58501 -1.01423 -14.3563 1.93649 -10.0671 15.4958 -10.8725 14.0177 63.4989 TIMING: 4054200 CPU: 12051.3, 0.00295417/step Wall: 12051.3, 0.00295417/step, 0.776125 hours remaining, 207.511719 MB of memory in use. ENERGY: 4054200 734.4717 2120.5173 1933.0460 111.2504 -205816.9190 17687.2001 0.0000 0.0000 34502.9372 -148727.4963 301.3227 -183230.4335 -148623.4182 300.5087 -68.2359 -35.9808 558225.4196 18.3370 18.3389 PRESSURE: 4054400 20.1158 81.4986 102.487 81.4985 -103.358 40.5182 102.485 40.5175 -94.9556 GPRESSURE: 4054400 71.9074 76.2087 74.3108 99.3493 -59.3417 25.6228 44.3477 61.7574 -100.645 PRESSAVG: 4054400 100.523 10.3781 -39.9266 10.3782 -88.8582 19.0068 -39.9265 19.0068 10.1051 GPRESSAVG: 4054400 100.621 10.1592 -37.8746 11.4363 -88.343 16.393 -41.6905 19.5149 9.55225 TIMING: 4054400 CPU: 12051.9, 0.0029466/step Wall: 12051.9, 0.0029466/step, 0.773975 hours remaining, 207.511719 MB of memory in use. ENERGY: 4054400 739.1656 2155.2516 1913.1203 117.1975 -205639.6739 17608.1607 0.0000 0.0000 34415.3091 -148691.4691 300.5575 -183106.7782 -148603.4109 300.4274 -59.3994 -29.3598 557951.1756 7.2566 7.2769 PRESSURE: 4054600 86.8095 -21.6562 25.5344 -21.6568 -35.6367 -57.4781 25.536 -57.4789 -78.0475 GPRESSURE: 4054600 57.9163 -107.854 47.5805 -22.5584 26.9658 -26.0442 9.93773 -34.1102 -34.2862 PRESSAVG: 4054600 54.9145 -12.9427 -26.2678 -12.9427 -46.974 47.9001 -26.2678 47.9002 35.97 GPRESSAVG: 4054600 55.5657 -12.4716 -27.3039 -13.9372 -47.1852 48.88 -22.7205 46.294 35.0442 TIMING: 4054600 CPU: 12052.5, 0.00295058/step Wall: 12052.5, 0.00295058/step, 0.774855 hours remaining, 207.511719 MB of memory in use. ENERGY: 4054600 747.4153 2116.4275 1950.4180 112.5466 -205816.6138 17736.9952 0.0000 0.0000 34563.5224 -148589.2888 301.8518 -183152.8112 -148491.9492 300.9358 -8.9582 16.8653 558628.0790 14.6368 14.4749 PRESSURE: 4054800 -236.118 51.4672 27.1991 51.468 -76.7966 124.676 27.1991 124.675 -69.4114 GPRESSURE: 4054800 -206.121 102.52 -57.8728 80.4979 -58.1955 116.159 54.6921 102.388 -17.4755 PRESSAVG: 4054800 36.0313 -29.9151 -5.34555 -29.915 -95.8943 1.84255 -5.34545 1.84253 37.1203 GPRESSAVG: 4054800 35.8514 -28.6734 -3.94854 -29.3325 -97.2241 0.205448 -6.93711 2.66829 38.3176 TIMING: 4054800 CPU: 12053.1, 0.00294389/step Wall: 12053.1, 0.00294389/step, 0.772934 hours remaining, 207.511719 MB of memory in use. ENERGY: 4054800 732.6007 2092.6944 1958.6377 124.5731 -205533.2895 17659.5947 0.0000 0.0000 34363.2293 -148601.9597 300.1026 -182965.1890 -148502.3387 301.1086 -127.4421 -93.9305 559115.9207 -7.5809 -7.6850 PRESSURE: 4055000 48.0736 42.3049 -95.6742 42.3048 -82.3253 -2.7344 -95.6759 -2.73375 333.458 GPRESSURE: 4055000 97.2423 46.1426 -51.2161 54.3454 -114.311 34.2977 -119.558 8.7711 406.56 PRESSAVG: 4055000 -1.12784 13.841 -29.2276 13.841 -79.9282 58.6445 -29.2276 58.6445 91.5782 GPRESSAVG: 4055000 -2.56513 11.6537 -30.7975 14.9767 -77.5574 60.1661 -29.178 57.3014 91.2475 TIMING: 4055000 CPU: 12053.6, 0.00291193/step Wall: 12053.6, 0.00291192/step, 0.76438 hours remaining, 207.511719 MB of memory in use. ENERGY: 4055000 707.5491 2090.3199 1943.9559 112.2526 -205796.2483 17824.1911 0.0000 0.0000 34274.9829 -148842.9966 299.3320 -183117.9795 -148751.4794 301.0725 99.7354 129.8304 557916.6038 3.5074 3.7083 PRESSURE: 4055200 108.764 17.9331 -114.668 17.9326 80.7975 34.4719 -114.669 34.4708 93.7104 GPRESSURE: 4055200 163.044 8.06493 -49.4947 -4.16078 134.365 -111.694 -159.653 149.786 87.8881 PRESSAVG: 4055200 10.3934 8.46723 -41.8733 8.46723 -61.1952 -23.0056 -41.8732 -23.0056 35.8438 GPRESSAVG: 4055200 11.3885 9.89579 -41.5945 7.60512 -61.4717 -22.7635 -41.4091 -22.7921 35.4348 TIMING: 4055200 CPU: 12054.2, 0.00291823/step Wall: 12054.2, 0.00291823/step, 0.765874 hours remaining, 207.511719 MB of memory in use. ENERGY: 4055200 744.5217 2094.2933 1920.6433 98.5487 -205881.3325 17753.1864 0.0000 0.0000 34233.9462 -149036.1930 298.9736 -183270.1391 -148941.7777 299.8665 94.4241 128.4323 557168.4937 -4.9860 -4.8828 PRESSURE: 4055400 -96.3303 -98.8753 59.4541 -98.876 -69.7136 -13.5448 59.4543 -13.5473 -114.597 GPRESSURE: 4055400 -34.6774 -27.9368 -6.08218 -200.018 -37.0919 -44.596 97.0926 38.0317 -117.957 PRESSAVG: 4055400 31.0171 30.0291 -6.49762 30.0291 -52.9516 -3.63146 -6.49748 -3.63147 22.101 GPRESSAVG: 4055400 31.1999 27.8233 -2.92273 30.5164 -52.631 -5.05348 -10.1884 -1.48115 21.4873 TIMING: 4055400 CPU: 12054.8, 0.00292855/step Wall: 12054.8, 0.00292855/step, 0.76842 hours remaining, 207.511719 MB of memory in use. ENERGY: 4055400 740.0213 2081.1375 1950.0865 117.1453 -205847.4437 17589.5966 0.0000 0.0000 34377.7110 -148991.7455 300.2291 -183369.4565 -148886.5676 299.3379 -93.5470 -63.2422 557866.6573 0.0555 0.0187 PRESSURE: 4055600 -185.75 15.7058 -46.3739 15.706 -331.684 -104.368 -46.3731 -104.368 -107.426 GPRESSURE: 4055600 -123.523 9.44694 21.5089 -33.59 -291.927 -4.26158 -32.866 -128.918 -109.051 PRESSAVG: 4055600 -65.7276 -91.5035 27.1836 -91.5035 -30.3068 -26.7215 27.1835 -26.7216 38.8329 GPRESSAVG: 4055600 -66.0576 -90.9628 24.9076 -90.8884 -30.6619 -26.4296 29.9168 -26.1972 38.5816 TIMING: 4055600 CPU: 12055.4, 0.00296041/step Wall: 12055.4, 0.00296041/step, 0.776613 hours remaining, 207.511719 MB of memory in use. ENERGY: 4055600 751.9310 2056.3366 1940.8706 106.7657 -205737.0470 17418.5481 0.0000 0.0000 34352.1837 -149110.4113 300.0062 -183462.5949 -149019.4160 299.7728 -208.2863 -174.8336 557796.2568 -19.0672 -19.3793 PRESSURE: 4055800 -62.4731 -224.103 -83.7574 -224.102 -82.0964 -52.2724 -83.758 -52.2732 -122.15 GPRESSURE: 4055800 -37.102 -314.247 -33.5275 -143.622 -36.2762 -73.2156 -21.094 5.9352 -101.501 PRESSAVG: 4055800 -19.1098 3.79024 19.8594 3.79017 34.1704 -15.0015 19.8594 -15.0015 -22.3842 GPRESSAVG: 4055800 -19.4437 3.99287 19.4451 3.14602 33.6679 -15.7386 22.2001 -15.1387 -21.0579 TIMING: 4055800 CPU: 12056, 0.00295415/step Wall: 12056, 0.00295415/step, 0.774808 hours remaining, 207.511719 MB of memory in use. ENERGY: 4055800 743.3071 2076.0102 1933.5517 100.3531 -205670.9447 17667.5093 0.0000 0.0000 34034.0614 -149116.1520 297.2279 -183150.2134 -149017.9683 298.8444 -88.9063 -58.2931 558183.0405 -2.4412 -2.2779 PRESSURE: 4056000 -106.808 105.316 -58.2633 105.315 317.622 147.363 -58.2645 147.363 277.026 GPRESSURE: 4056000 -8.83886 161.794 -37.6903 104.096 340.618 199.475 -12.5762 49.0455 257.409 PRESSAVG: 4056000 -22.1974 -26.1838 36.2776 -26.1838 -21.0495 -14.4885 36.2776 -14.4886 60.6717 GPRESSAVG: 4056000 -21.9406 -27.323 37.6578 -28.1383 -21.302 -14.57 35.3098 -17.2806 60.6625 TIMING: 4056000 CPU: 12056.6, 0.00293176/step Wall: 12056.6, 0.00293176/step, 0.768772 hours remaining, 207.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4056000 747.6076 2112.0636 1943.8049 89.4477 -206289.3890 17996.8150 0.0000 0.0000 34331.7977 -149067.8526 299.8281 -183399.6503 -148973.7108 299.0535 162.6130 196.3959 557067.1322 5.8083 5.8066 PRESSURE: 4056200 -77.4364 -159.482 -59.586 -159.482 -188.283 -66.0194 -59.5871 -66.0203 -156.933 GPRESSURE: 4056200 9.2464 -126.192 -19.5715 -175.233 -223.929 -27.9946 -62.9916 -68.5279 -109.016 PRESSAVG: 4056200 3.44233 -24.2376 31.6564 -24.2377 15.0395 6.41624 31.6564 6.41631 -18.6233 GPRESSAVG: 4056200 4.36566 -23.0657 30.0045 -21.6248 13.3958 4.9833 32.3163 8.83651 -18.716 TIMING: 4056200 CPU: 12057.2, 0.00294402/step Wall: 12057.2, 0.00294402/step, 0.771824 hours remaining, 207.511719 MB of memory in use. ENERGY: 4056200 730.1775 2083.2605 1984.6972 131.0685 -205626.1853 17507.1490 0.0000 0.0000 34285.2983 -148904.5343 299.4220 -183189.8326 -148805.9496 300.5265 -140.8840 -107.8996 557980.9559 -0.0472 -0.3182 LDB: ============= START OF LOAD BALANCING ============== 12060.7 LDB: ============== END OF LOAD BALANCING =============== 12060.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12060.7 LDB: ============= START OF LOAD BALANCING ============== 12061 LDB: Largest compute 4809 load 0.022481 is 19.0% of average load 0.118356 LDB: Average compute 0.001721 is 1.5% of average load 0.118356 LDB: TIME 12061 LOAD: AVG 0.118356 MAX 0.198671 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.891 MB LDB: TIME 12061 LOAD: AVG 0.118356 MAX 0.198671 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.094 MB LDB: TIME 12061 LOAD: AVG 0.118356 MAX 0.198671 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.094 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12061 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12061 PRESSURE: 4056400 -2.55601 -72.7475 -60.1478 -72.7454 -225.561 -30.0593 -60.1491 -30.0605 -21.1582 GPRESSURE: 4056400 38.9268 -15.8552 -21.7186 -124.917 -193.585 -110.641 -186.047 12.481 10.3008 PRESSAVG: 4056400 -27.995 20.2698 1.53929 20.2699 -31.4445 -41.2068 1.53917 -41.2069 30.5764 GPRESSAVG: 4056400 -29.3221 20.7749 3.34402 19.0077 -30.1856 -40.9507 -1.95089 -42.8671 30.679 TIMING: 4056400 CPU: 12057.8, 0.0030114/step Wall: 12057.8, 0.00301141/step, 0.789323 hours remaining, 207.820312 MB of memory in use. ENERGY: 4056400 769.6504 2078.5197 1958.8909 119.6589 -205872.5858 17704.8269 0.0000 0.0000 34427.6762 -148813.3628 300.6655 -183241.0391 -148711.3784 300.1551 -83.0917 -48.1190 557104.4326 -9.6210 -9.6096 PRESSURE: 4056600 24.5608 37.0986 -83.2361 37.0981 278.311 -19.5207 -83.2376 -19.5192 173.891 GPRESSURE: 4056600 52.2828 106.777 -10.8458 33.6553 325.763 -72.4706 -156.369 -20.779 186.628 PRESSAVG: 4056600 -44.8494 42.7333 -33.4202 42.7332 27.7064 -48.1242 -33.4202 -48.1242 48.6108 GPRESSAVG: 4056600 -43.3682 40.7637 -34.4466 43.8314 26.5264 -47.6534 -34.7857 -46.2813 48.6419 TIMING: 4056600 CPU: 12058.4, 0.00293906/step Wall: 12058.4, 0.00293906/step, 0.770197 hours remaining, 207.820312 MB of memory in use. ENERGY: 4056600 743.2406 2107.4395 1975.3536 107.8115 -206145.7632 17914.8938 0.0000 0.0000 34400.8413 -148896.1830 300.4311 -183297.0242 -148799.0298 300.4965 158.9209 188.2246 556434.2740 10.4893 10.6000 PRESSURE: 4056800 -26.4249 -35.4253 -68.8293 -35.4262 -149.081 53.8339 -68.8295 53.834 -32.7129 GPRESSURE: 4056800 -11.0653 31.1497 20.6052 -92.2303 -78.7281 57.7066 -72.4565 91.9896 -18.11 PRESSAVG: 4056800 -35.095 41.8419 39.4896 41.8419 11.8065 26.8287 39.4895 26.8287 13.509 GPRESSAVG: 4056800 -35.5293 44.8656 38.3857 41.1583 11.5796 27.9473 43.3311 23.817 13.8871 TIMING: 4056800 CPU: 12058.9, 0.00296631/step Wall: 12058.9, 0.00296631/step, 0.777173 hours remaining, 207.820312 MB of memory in use. ENERGY: 4056800 806.0883 2017.5669 1958.0180 108.2204 -205893.3295 17697.2829 0.0000 0.0000 34376.5820 -148929.5710 300.2192 -183306.1530 -148834.1698 299.9394 -69.4064 -35.9678 558512.4482 -3.2598 -3.3542 PRESSURE: 4057000 303.245 88.4484 122.903 88.4474 74.1863 -76.8965 122.903 -76.8962 68.4703 GPRESSURE: 4057000 323.021 108.707 125.083 102.998 122.357 -71.6267 116.954 -115.768 107.452 PRESSAVG: 4057000 72.589 5.28417 30.1775 5.28419 8.99502 -47.4348 30.1775 -47.4348 -48.5642 GPRESSAVG: 4057000 73.1312 3.01984 30.2524 5.41394 9.47498 -46.6176 31.5265 -47.2278 -49.697 TIMING: 4057000 CPU: 12059.5, 0.00301106/step Wall: 12059.5, 0.00301106/step, 0.78873 hours remaining, 207.820312 MB of memory in use. ENERGY: 4057000 736.1909 2089.5299 1958.6911 126.0705 -206141.9279 17884.3133 0.0000 0.0000 34512.0489 -148835.0835 301.4023 -183347.1324 -148739.0615 300.4345 148.6340 184.2766 558413.7019 11.0066 10.9697 PRESSURE: 4057200 -196.372 33.3788 72.165 33.3781 -179.546 213.039 72.1641 213.039 38.0328 GPRESSURE: 4057200 -131.722 -9.12627 85.4554 43.5778 -146.424 169.065 29.9242 158.653 35.2741 PRESSAVG: 4057200 12.4215 3.55733 56.4771 3.55738 -1.19502 12.1004 56.4771 12.1004 17.4604 GPRESSAVG: 4057200 12.0127 5.13243 57.6152 2.63866 -0.34526 9.89295 54.2425 13.995 17.4158 TIMING: 4057200 CPU: 12060.1, 0.00297136/step Wall: 12060.1, 0.00297136/step, 0.778167 hours remaining, 207.820312 MB of memory in use. ENERGY: 4057200 740.6230 2088.2631 1922.9465 118.0569 -205671.5405 17718.7345 0.0000 0.0000 34330.8449 -148752.0715 299.8198 -183082.9165 -148649.7021 300.0026 -112.6287 -80.9573 559271.8482 9.5623 9.6944 PRESSURE: 4057400 -53.5311 55.1048 49.9182 55.1057 168.091 9.87547 49.9176 9.87614 16.4126 GPRESSURE: 4057400 23.7584 -5.95798 -15.4351 54.702 182.191 -1.62617 138.784 14.9247 20.2361 PRESSAVG: 4057400 34.8471 15.5148 28.2653 15.5149 -21.4587 1.59867 28.2653 1.59876 -16.4872 GPRESSAVG: 4057400 32.8517 14.2828 26.8425 15.5789 -20.5209 2.80525 28.3507 0.999598 -15.1448 TIMING: 4057400 CPU: 12060.7, 0.00298053/step Wall: 12060.7, 0.00298053/step, 0.780402 hours remaining, 207.820312 MB of memory in use. ENERGY: 4057400 741.6693 2115.0527 1932.3356 123.3889 -205950.9031 17889.3396 0.0000 0.0000 34373.4581 -148775.6589 300.1920 -183149.1170 -148678.4788 300.1190 43.6575 75.3952 559685.4995 -1.0329 -0.9380 PRESSURE: 4057600 100.44 57.5089 165.806 57.5096 -212.007 1.54054 165.807 1.54148 144.106 GPRESSURE: 4057600 160.634 75.0485 206.52 23.8456 -207.061 9.87509 208.944 -5.6719 168.823 PRESSAVG: 4057600 -14.2627 6.97464 46.1206 6.97456 -14.6705 3.58047 46.1205 3.58055 -21.6373 GPRESSAVG: 4057600 -12.9162 7.62495 47.8607 8.67337 -15.2707 3.40849 44.1681 4.39575 -22.6412 TIMING: 4057600 CPU: 12061.3, 0.00297405/step Wall: 12061.3, 0.00297405/step, 0.778541 hours remaining, 207.820312 MB of memory in use. ENERGY: 4057600 738.0385 2114.5581 1929.9357 119.6578 -206070.1315 17789.0115 0.0000 0.0000 34534.0377 -148844.8921 301.5943 -183378.9299 -148742.8069 300.5129 10.8462 40.7985 558326.4904 -16.8568 -16.9427 PRESSURE: 4057800 -47.5211 17.1185 103.125 17.1173 64.1331 -42.777 103.124 -42.7774 -91.5949 GPRESSURE: 4057800 -55.9339 30.1895 69.4643 -112.162 100.761 -113.738 171.416 12.2787 -27.115 PRESSAVG: 4057800 50.4539 -74.1333 -38.8493 -74.1334 -21.1762 44.3184 -38.8494 44.3184 10.0859 GPRESSAVG: 4057800 49.1036 -74.7381 -40.4479 -75.6192 -21.3759 44.2746 -35.5027 44.6628 11.5366 TIMING: 4057800 CPU: 12061.9, 0.00296334/step Wall: 12061.9, 0.00296334/step, 0.775573 hours remaining, 207.820312 MB of memory in use. ENERGY: 4057800 737.2576 2094.7937 1926.4619 119.8596 -205858.6610 17727.0191 0.0000 0.0000 34510.9875 -148742.2817 301.3930 -183253.2692 -148646.7545 300.9033 -24.9943 5.9042 558497.5188 13.1212 13.0881 PRESSURE: 4058000 -50.0163 -14.6642 -55.3035 -14.6626 -39.3955 -107.708 -55.3042 -107.71 -148.618 GPRESSURE: 4058000 -45.0263 -130.42 -43.9101 46.6887 -24.1371 -92.6159 -70.7162 -130.893 -68.8084 PRESSAVG: 4058000 39.1636 17.6114 -29.3447 17.6114 -35.7576 -3.15881 -29.3447 -3.15875 5.3847 GPRESSAVG: 4058000 41.0928 16.9003 -28.7256 19.6145 -35.55 -2.01827 -32.2903 -3.85118 3.74485 TIMING: 4058000 CPU: 12062.5, 0.00295342/step Wall: 12062.5, 0.00295342/step, 0.772812 hours remaining, 207.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4058000 800.8015 2061.0120 1948.8180 104.7668 -205895.1430 17622.3102 0.0000 0.0000 34487.6719 -148869.7626 301.1894 -183357.4344 -148771.3076 300.3913 -79.3431 -45.9906 558091.0689 2.9302 3.0959 PRESSURE: 4058200 -247.864 -7.76458 159.786 -7.76515 -125.853 153.304 159.786 153.305 -37.9826 GPRESSURE: 4058200 -203.357 -21.0752 135.495 3.71448 -93.3858 107.945 136.081 172.708 -23.0871 PRESSAVG: 4058200 5.11313 -20.0603 -0.305774 -20.0603 -35.0375 15.4399 -0.305661 15.4399 -1.10212 GPRESSAVG: 4058200 4.04546 -22.4061 0.139169 -20.5996 -35.4662 13.1457 1.03393 17.3 0.5931 TIMING: 4058200 CPU: 12063.1, 0.00294545/step Wall: 12063.1, 0.00294545/step, 0.770562 hours remaining, 207.820312 MB of memory in use. ENERGY: 4058200 759.5039 2044.0216 1940.0271 117.1412 -205633.9158 17496.7345 0.0000 0.0000 34242.0740 -149034.4135 299.0445 -183276.4875 -148932.6881 300.1556 -137.2333 -106.6099 559701.3056 -10.3421 -10.2759 PRESSURE: 4058400 105.777 -39.1007 -18.6974 -39.0993 -36.5948 52.605 -18.698 52.6034 -61.7217 GPRESSURE: 4058400 130.433 -100.572 -46.7345 21.2416 -20.6706 37.6579 17.2689 37.2186 -1.65631 PRESSAVG: 4058400 14.8812 -11.5557 19.6031 -11.5556 -21.9969 26.6571 19.6031 26.6571 -28.1701 GPRESSAVG: 4058400 15.1938 -9.74405 18.944 -11.938 -22.2675 28.0396 19.1159 26.2512 -28.7309 TIMING: 4058400 CPU: 12063.7, 0.00295666/step Wall: 12063.7, 0.00295666/step, 0.773331 hours remaining, 207.820312 MB of memory in use. ENERGY: 4058400 769.8891 2087.8091 1963.4489 122.0087 -205973.7572 17872.3130 0.0000 0.0000 34142.6355 -149015.6529 298.1761 -183158.2884 -148921.8040 299.6634 2.4867 36.0354 558585.7611 -11.7620 -11.9349 PRESSURE: 4058600 -134.281 -2.71807 -86.5518 -2.7195 127.314 28.6349 -86.5526 28.635 -84.212 GPRESSURE: 4058600 -36.0063 41.224 -72.072 -57.8137 80.6843 -14.1752 -104.048 69.049 -33.8561 PRESSAVG: 4058600 47.3143 28.079 1.27593 28.0791 -34.5517 -4.79223 1.27599 -4.79215 -4.74595 GPRESSAVG: 4058600 47.5141 29.3495 3.09885 26.2609 -34.365 -6.37039 -0.197071 -5.29445 -4.94394 TIMING: 4058600 CPU: 12064.3, 0.00294247/step Wall: 12064.3, 0.00294247/step, 0.769455 hours remaining, 207.820312 MB of memory in use. ENERGY: 4058600 756.1929 2055.9507 1968.1702 127.9835 -205925.4657 17682.0353 0.0000 0.0000 34271.4663 -149063.6666 299.3012 -183335.1329 -148972.4807 299.4494 -30.3929 3.6073 557421.9089 2.6722 2.7350 PRESSURE: 4058800 -47.3966 55.0643 216.82 55.0642 165.887 -269.419 216.821 -269.42 287.596 GPRESSURE: 4058800 17.6485 -35.7083 127.475 59.2148 219.632 -184.169 255.844 -203.744 264.255 PRESSAVG: 4058800 -8.05895 -11.3029 -37.0803 -11.3029 10.3814 18.623 -37.0803 18.623 -41.2126 GPRESSAVG: 4058800 -7.52022 -10.5479 -37.8381 -9.98612 10.0314 19.0036 -34.5991 18.0528 -41.713 TIMING: 4058800 CPU: 12064.9, 0.00296335/step Wall: 12064.9, 0.00296335/step, 0.774751 hours remaining, 207.820312 MB of memory in use. ENERGY: 4058800 749.0875 2117.8773 1927.4781 109.6225 -206724.7075 18081.8102 0.0000 0.0000 34447.3789 -149291.4528 300.8375 -183738.8318 -149196.0208 299.3712 135.3623 167.1784 556830.7963 -12.9634 -13.0673 PRESSURE: 4059000 -18.6676 20.7245 127.536 20.7236 27.1144 62.0305 127.537 62.0304 -217.675 GPRESSURE: 4059000 11.4698 29.9196 66.3224 -44.3765 52.8277 54.7319 159.879 -42.8785 -178.288 PRESSAVG: 4059000 -15.3953 30.4835 29.06 30.4835 -37.8859 40.5654 29.0601 40.5654 54.6017 GPRESSAVG: 4059000 -16.0255 29.1057 30.4128 30.8341 -37.9006 41.7734 27.329 41.2413 54.816 TIMING: 4059000 CPU: 12065.5, 0.00297137/step Wall: 12065.5, 0.00297137/step, 0.776684 hours remaining, 207.820312 MB of memory in use. ENERGY: 4059000 760.6197 2045.5570 1961.6588 114.1727 -206253.8011 17823.3851 0.0000 0.0000 34333.2345 -149215.1732 299.8407 -183548.4078 -149128.9378 300.3569 -69.7426 -37.9969 557086.5421 0.4402 0.2966 PRESSURE: 4059200 248.494 -113.967 104.108 -113.967 1.95342 -3.08806 104.108 -3.0886 -6.70867 GPRESSURE: 4059200 302.066 -127.084 165.841 -226.929 31.5245 -46.1947 190.416 70.2621 10.6775 PRESSAVG: 4059200 -4.7076 -46.9595 53.614 -46.9595 -53.9848 5.10462 53.614 5.10461 46.1724 GPRESSAVG: 4059200 -5.70903 -46.3735 53.3566 -48.2711 -54.0814 5.17655 55.4266 5.69396 47.3771 TIMING: 4059200 CPU: 12066.1, 0.00295105/step Wall: 12066.1, 0.00295105/step, 0.771208 hours remaining, 207.820312 MB of memory in use. ENERGY: 4059200 773.7952 2096.8772 1936.9761 118.2642 -206493.1861 18043.4695 0.0000 0.0000 34338.3275 -149185.4764 299.8852 -183523.8039 -149095.4086 299.1164 81.2462 114.7561 556381.6179 -4.1733 -4.1378 PRESSURE: 4059400 -154.439 61.0632 -52.5024 61.063 -315.579 -134.89 -52.5031 -134.89 -56.9546 GPRESSURE: 4059400 -126.11 93.8971 43.6577 117.189 -302.012 -139.513 -60.956 -202.133 4.56497 PRESSAVG: 4059400 -11.3408 20.9365 24.1339 20.9365 -32.3831 -3.45557 24.1339 -3.45569 81.2824 GPRESSAVG: 4059400 -10.0165 20.966 24.7061 22.2683 -31.7105 -2.95048 22.6175 -3.64424 79.838 TIMING: 4059400 CPU: 12066.6, 0.00294572/step Wall: 12066.6, 0.00294572/step, 0.769652 hours remaining, 207.820312 MB of memory in use. ENERGY: 4059400 782.2688 2065.0149 1926.4169 118.1710 -205811.7976 17603.4359 0.0000 0.0000 34253.3109 -149063.1793 299.1427 -183316.4901 -148969.8751 300.2140 -175.6575 -141.1858 557415.6798 12.5195 12.7037 PRESSURE: 4059600 -17.7127 -15.2425 -169.505 -15.243 -8.23035 -48.0292 -169.504 -48.0299 -78.9152 GPRESSURE: 4059600 34.1645 -20.8507 -103.393 -153.16 -13.0396 -63.5457 -134.703 -6.43739 -29.4472 PRESSAVG: 4059600 -10.6316 -2.84452 -46.8266 -2.8446 -65.1297 -3.28713 -46.8266 -3.28712 53.8654 GPRESSAVG: 4059600 -11.1201 -2.73855 -47.9264 -3.4942 -66.3182 -3.6149 -45.8491 -1.90674 55.5814 TIMING: 4059600 CPU: 12067.2, 0.0029319/step Wall: 12067.2, 0.0029319/step, 0.765878 hours remaining, 207.820312 MB of memory in use. ENERGY: 4059600 729.3582 2050.9216 1932.2342 114.5931 -206023.4333 17712.8827 0.0000 0.0000 34364.4348 -149119.0087 300.1132 -183483.4435 -149018.3331 299.4872 -34.9527 -2.7741 557199.8859 -7.2987 -7.2856 PRESSURE: 4059800 6.58397 -22.1385 -68.732 -22.1386 85.5911 67.8558 -68.7333 67.8557 24.92 GPRESSURE: 4059800 84.1163 -44.8509 -9.84504 63.4923 83.5114 87.6055 -110.875 136.268 38.2023 PRESSAVG: 4059800 -34.2623 -5.14992 -6.40242 -5.15 -7.22099 3.08395 -6.40236 3.08405 16.9583 GPRESSAVG: 4059800 -34.7718 -4.58131 -5.29222 -4.15741 -6.21229 4.18348 -7.45514 0.910785 16.5595 TIMING: 4059800 CPU: 12067.8, 0.0029374/step Wall: 12067.8, 0.0029374/step, 0.767152 hours remaining, 207.820312 MB of memory in use. ENERGY: 4059800 747.6586 2078.3066 1950.1640 107.7055 -206007.9309 17739.1944 0.0000 0.0000 34177.3812 -149207.5206 298.4796 -183384.9018 -149118.3986 299.4733 39.0317 68.6100 557828.8710 -8.1750 -8.1415 PRESSURE: 4060000 -73.2213 -47.0043 105.923 -47.0028 262.353 93.4557 105.922 93.4562 -61.9457 GPRESSURE: 4060000 -42.9564 -41.4226 126.467 -43.5861 309.667 52.6915 77.9625 111.79 -37.5205 PRESSAVG: 4060000 -26.7997 -12.4512 -2.80177 -12.4512 20.4854 35.4554 -2.80176 35.4554 31.5398 GPRESSAVG: 4060000 -26.8115 -15.8853 -3.06164 -12.3871 20.1623 34.3246 -2.79966 35.9801 32.7504 TIMING: 4060000 CPU: 12068.4, 0.002957/step Wall: 12068.4, 0.002957/step, 0.772105 hours remaining, 207.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4060000 758.5813 2061.0381 1930.8117 114.6873 -206324.8167 17908.2903 0.0000 0.0000 34188.7545 -149362.6536 298.5789 -183551.4081 -149272.9455 299.8172 42.3955 76.3967 558109.7683 8.4085 8.7004 PRESSURE: 4060200 -88.9981 112.827 -70.7894 112.827 136.508 137.136 -70.7885 137.135 14.4881 GPRESSURE: 4060200 -103.514 107.829 -24.5608 155.648 147.167 13.0714 -143.616 184.877 136.376 PRESSAVG: 4060200 5.74029 14.8907 12.5296 14.8905 7.22842 -9.68938 12.5296 -9.68931 7.2338 GPRESSAVG: 4060200 5.69284 16.1675 15.5294 15.3982 8.49335 -9.22234 12.3318 -10.6495 5.88747 TIMING: 4060200 CPU: 12069, 0.00294347/step Wall: 12069, 0.00294347/step, 0.76841 hours remaining, 207.820312 MB of memory in use. ENERGY: 4060200 775.1995 2038.8988 1921.7121 116.1049 -206515.3691 17953.3875 0.0000 0.0000 34149.7537 -149560.3128 298.2383 -183710.0665 -149469.6064 298.5128 20.6661 60.0095 558860.5710 6.7342 6.6912 LDB: ============= START OF LOAD BALANCING ============== 12072.5 LDB: ============== END OF LOAD BALANCING =============== 12072.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12072.5 LDB: ============= START OF LOAD BALANCING ============== 12072.8 LDB: Largest compute 4809 load 0.022957 is 19.4% of average load 0.118240 LDB: Average compute 0.001733 is 1.5% of average load 0.118240 LDB: TIME 12072.8 LOAD: AVG 0.11824 MAX 0.198194 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.168 MB LDB: TIME 12072.8 LOAD: AVG 0.11824 MAX 0.198194 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.172 MB LDB: TIME 12072.8 LOAD: AVG 0.11824 MAX 0.198194 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12072.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12072.9 PRESSURE: 4060400 20.3952 87.1661 -20.0011 87.1666 12.655 57.8284 -20.0025 57.8292 223.709 GPRESSURE: 4060400 131.92 137.607 -25.5689 86.7575 -30.508 105.59 -10.7298 30.7435 257.256 PRESSAVG: 4060400 -24.5303 2.90323 -25.1094 2.90319 -75.8922 15.088 -25.1095 15.088 64.9197 GPRESSAVG: 4060400 -24.0282 3.28063 -27.4948 4.21418 -76.0945 14.4349 -21.5873 15.5875 64.5723 TIMING: 4060400 CPU: 12069.6, 0.00299024/step Wall: 12069.6, 0.00299024/step, 0.780452 hours remaining, 206.984375 MB of memory in use. ENERGY: 4060400 733.0862 2069.5073 1919.0554 108.3412 -206486.9989 18025.7406 0.0000 0.0000 34193.2291 -149438.0391 298.6180 -183631.2682 -149345.0483 299.0247 85.5864 119.5560 558128.9811 -11.8343 -11.8501 PRESSURE: 4060600 -17.6555 194.093 70.9458 194.095 -213.42 -22.8132 70.9459 -22.8118 17.939 GPRESSURE: 4060600 17.9089 114.579 75.7708 261.265 -219.975 -20.6474 -3.419 62.3193 71.1525 PRESSAVG: 4060600 43.1873 -79.7596 11.8168 -79.7596 -21.5942 26.9097 11.8167 26.9097 -54.6867 GPRESSAVG: 4060600 44.0534 -78.1131 10.8203 -82.5242 -22.5001 25.2881 11.2272 27.1965 -55.091 TIMING: 4060600 CPU: 12070.2, 0.00293925/step Wall: 12070.2, 0.00293925/step, 0.766981 hours remaining, 206.984375 MB of memory in use. ENERGY: 4060600 737.5480 2048.4032 1936.9257 114.4216 -206343.7963 17915.9555 0.0000 0.0000 34103.3123 -149487.2301 297.8327 -183590.5424 -149389.5144 298.6229 -71.0455 -43.6378 558402.5556 -11.0312 -11.1792 PRESSURE: 4060800 -13.3557 -26.2268 78.2993 -26.2274 174.57 -56.603 78.2989 -56.6033 70.1914 GPRESSURE: 4060800 63.4757 -18.7798 83.535 -104.083 196.761 -88.0881 45.7745 -117.946 66.5592 PRESSAVG: 4060800 42.4044 -4.6376 40.2436 -4.63755 -82.3199 13.0174 40.2436 13.0174 70.5471 GPRESSAVG: 4060800 42.6136 -5.02834 40.5493 -2.93969 -82.3161 15.3697 40.2608 11.3371 70.0407 TIMING: 4060800 CPU: 12070.8, 0.00292732/step Wall: 12070.8, 0.00292732/step, 0.763705 hours remaining, 206.984375 MB of memory in use. ENERGY: 4060800 713.4239 2133.7768 1936.5734 124.2389 -206420.7506 18014.0735 0.0000 0.0000 34070.4324 -149428.2317 297.5456 -183498.6641 -149334.0729 298.3659 77.1351 108.9319 558690.4081 10.2105 10.1128 PRESSURE: 4061000 -85.9888 57.0356 -63.2229 57.038 -183.419 27.8798 -63.2225 27.8811 38.3972 GPRESSURE: 4061000 -50.2458 3.39505 -0.268515 166.868 -63.7551 2.77386 -88.9973 1.57746 -16.6766 PRESSAVG: 4061000 17.2867 -7.32341 3.34216 -7.3234 -81.5925 -5.62547 3.34212 -5.62542 68.7126 GPRESSAVG: 4061000 15.834 -6.17553 4.03525 -9.88482 -79.8408 -6.54681 1.12781 -1.76876 68.4931 TIMING: 4061000 CPU: 12071.4, 0.00292657/step Wall: 12071.4, 0.00292657/step, 0.763346 hours remaining, 206.984375 MB of memory in use. ENERGY: 4061000 731.3563 2058.0825 1914.2243 119.2456 -206561.8031 17889.6418 0.0000 0.0000 34415.3156 -149433.9370 300.5575 -183849.2527 -149340.2434 299.4889 -77.0035 -43.5592 558354.8997 1.4689 1.4955 PRESSURE: 4061200 349.45 -45.0332 6.82604 -45.0329 7.14191 6.19368 6.82638 6.19342 351.972 GPRESSURE: 4061200 407.186 -59.5516 -48.2264 -64.966 102.766 80.3339 90.8672 -19.4355 293.047 PRESSAVG: 4061200 -2.21173 -38.2179 4.2254 -38.2179 -13.7356 3.63403 4.22543 3.63381 35.7189 GPRESSAVG: 4061200 -2.50104 -38.7422 3.67343 -37.062 -15.3997 3.4156 3.48708 3.46456 37.308 TIMING: 4061200 CPU: 12071.9, 0.00292226/step Wall: 12071.9, 0.00292226/step, 0.762062 hours remaining, 206.984375 MB of memory in use. ENERGY: 4061200 721.7336 2054.7061 1911.7993 101.6201 -206803.4065 18173.9047 0.0000 0.0000 34385.4244 -149454.2184 300.2965 -183839.6427 -149355.8050 299.6340 236.1878 267.6664 557139.5253 6.5905 6.4691 PRESSURE: 4061400 215.214 69.3445 -124.328 69.3457 -316.792 -21.3521 -124.329 -21.3503 181.199 GPRESSURE: 4061400 244.144 11.4779 -84.6328 75.7645 -230.079 -19.0419 -120.594 70.2935 159.252 PRESSAVG: 4061400 5.85269 47.0742 -16.0511 47.0743 -59.3958 24.3758 -16.0512 24.3758 31.2382 GPRESSAVG: 4061400 6.48568 46.9065 -14.0831 47.1563 -59.5762 24.4245 -15.8472 23.4517 30.7104 TIMING: 4061400 CPU: 12072.5, 0.00292557/step Wall: 12072.5, 0.00292557/step, 0.762762 hours remaining, 206.984375 MB of memory in use. ENERGY: 4061400 739.0495 2083.3093 1916.4811 113.3305 -206159.5787 17748.8791 0.0000 0.0000 34202.5011 -149356.0281 298.6989 -183558.5292 -149263.3558 299.0423 26.5403 57.7726 557822.2829 -7.4350 -7.4600 PRESSURE: 4061600 -107.696 141.361 -11.4071 141.361 -56.8062 -82.5509 -11.4075 -82.5523 -109.007 GPRESSURE: 4061600 -63.2269 80.112 -71.2795 198.866 -33.5467 -98.9475 80.9366 -127.491 -77.5293 PRESSAVG: 4061600 -13.8318 -33.8499 -23.4365 -33.8499 -53.9128 -15.1925 -23.4366 -15.1924 40.4035 GPRESSAVG: 4061600 -13.0207 -34.3284 -25.4534 -33.1884 -53.8877 -14.0649 -21.5466 -15.4018 39.6971 TIMING: 4061600 CPU: 12073.1, 0.00293543/step Wall: 12073.1, 0.00293543/step, 0.765169 hours remaining, 207.089844 MB of memory in use. ENERGY: 4061600 720.0211 2023.2016 1947.3532 113.5734 -206083.0976 17609.2971 0.0000 0.0000 34385.2493 -149284.4020 300.2949 -183669.6513 -149183.8771 299.1489 -91.1697 -58.1010 556629.1723 -9.1137 -9.0704 PRESSURE: 4061800 1.07494 -16.5311 -86.9687 -16.5324 -36.0551 -110.22 -86.9682 -110.221 -12.8555 GPRESSURE: 4061800 -27.4753 0.379111 -96.83 66.5376 28.9153 -150.711 -29.8118 -139.448 50.0556 PRESSAVG: 4061800 -8.09126 87.3345 11.6882 87.3345 18.9038 -51.1474 11.6882 -51.1475 28.7474 GPRESSAVG: 4061800 -8.6422 88.7051 12.3307 85.4935 19.0644 -52.0597 10.525 -51.9639 29.392 TIMING: 4061800 CPU: 12073.7, 0.00292278/step Wall: 12073.7, 0.00292278/step, 0.76171 hours remaining, 207.089844 MB of memory in use. ENERGY: 4061800 705.2771 2088.9127 1947.0841 121.9603 -206167.5275 17736.5151 0.0000 0.0000 34405.1633 -149162.6149 300.4688 -183567.7782 -149062.7781 299.4057 -15.9452 17.1652 557280.1808 13.1867 13.2714 PRESSURE: 4062000 -167.148 -90.4006 110.489 -90.4009 -347.469 -125.042 110.489 -125.042 -160.852 GPRESSURE: 4062000 -112.173 -83.9922 70.9899 -83.4818 -345.397 -107.038 90.6525 -124.794 -125.435 PRESSAVG: 4062000 54.6593 57.1077 -7.37467 57.1077 -33.7019 -8.23089 -7.37466 -8.23092 -50.7596 GPRESSAVG: 4062000 56.1365 54.7208 -6.43933 58.4277 -33.8476 -10.118 -7.26125 -6.64092 -52.2514 TIMING: 4062000 CPU: 12074.3, 0.002941/step Wall: 12074.3, 0.002941/step, 0.766294 hours remaining, 207.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4062000 741.1646 2115.6062 1956.1123 103.2578 -205862.7777 17458.2957 0.0000 0.0000 34301.4054 -149186.9357 299.5627 -183488.3410 -149088.4837 298.9743 -225.1565 -194.3351 559401.5013 -9.9341 -9.9875 PRESSURE: 4062200 -368.219 81.7725 79.3106 81.7739 -499.154 -30.5856 79.3102 -30.5861 -396.307 GPRESSURE: 4062200 -354.22 66.0724 77.1366 59.1623 -474.096 -60.4373 122.252 -14.0939 -348.078 PRESSAVG: 4062200 -0.112391 -16.1465 47.4909 -16.1464 -55.0326 25.392 47.491 25.3921 25.865 GPRESSAVG: 4062200 -1.32877 -14.5515 46.3856 -16.0424 -55.5573 25.8184 48.5426 25.5697 27.622 TIMING: 4062200 CPU: 12074.9, 0.00294278/step Wall: 12074.9, 0.00294278/step, 0.766594 hours remaining, 207.292969 MB of memory in use. ENERGY: 4062200 766.6441 2073.8920 1912.1539 114.5076 -205685.8915 17283.5971 0.0000 0.0000 34460.9687 -149074.1283 300.9562 -183535.0969 -148968.3291 299.5343 -421.2265 -392.1313 560053.1034 -9.7600 -9.7547 PRESSURE: 4062400 248.767 149.325 -85.6248 149.326 56.3533 -178.634 -85.6226 -178.635 23.3643 GPRESSURE: 4062400 319.362 130.44 -98.6769 190.104 110.695 -151.365 -34.0441 -87.0695 -6.25322 PRESSAVG: 4062400 -5.07924 -4.16958 15.0956 -4.16964 3.30234 8.95626 15.0956 8.95629 8.74597 GPRESSAVG: 4062400 -4.83783 -3.40265 13.9995 -5.31586 4.4775 9.99605 15.0896 8.76042 7.97705 TIMING: 4062400 CPU: 12075.5, 0.00294019/step Wall: 12075.5, 0.00294019/step, 0.765757 hours remaining, 207.292969 MB of memory in use. ENERGY: 4062400 731.7750 2081.2052 1929.6985 131.3764 -206365.8599 17997.1648 0.0000 0.0000 34161.9668 -149332.6731 298.3450 -183494.6399 -149238.9577 299.8011 109.4947 141.2679 558980.6453 2.3230 2.5389 PRESSURE: 4062600 117.05 -19.3882 -175.766 -19.3897 28.8502 198.475 -175.767 198.475 13.9537 GPRESSURE: 4062600 170.773 -25.3392 -133.45 -11.7479 49.6087 165.611 -149.265 266.176 47.6042 PRESSAVG: 4062600 77.3646 11.0718 -3.21996 11.0718 -36.3732 -40.7256 -3.21988 -40.7257 -37.6047 GPRESSAVG: 4062600 76.2431 10.4155 -4.29726 11.3267 -37.1158 -43.22 -2.03959 -41.0259 -36.544 TIMING: 4062600 CPU: 12076.1, 0.00292831/step Wall: 12076.1, 0.00292831/step, 0.7625 hours remaining, 207.292969 MB of memory in use. ENERGY: 4062600 748.1617 2041.1108 1947.7036 114.3580 -206565.6952 18248.1556 0.0000 0.0000 34193.3755 -149272.8300 298.6193 -183466.2055 -149178.8958 298.5525 53.2847 89.3287 559944.3168 1.1289 0.8611 PRESSURE: 4062800 243.885 -25.8237 -43.6119 -25.8242 56.6631 26.9573 -43.6111 26.9563 39.1362 GPRESSURE: 4062800 262.457 -51.7154 -31.7979 -9.82644 117.789 -26.3552 -14.6177 -90.4116 61.5914 PRESSAVG: 4062800 70.6495 3.5898 27.0984 3.5898 -25.0432 20.7441 27.0984 20.7441 -37.6518 GPRESSAVG: 4062800 71.3553 2.41865 29.9999 5.79044 -23.9313 22.5045 25.1287 20.4818 -39.535 TIMING: 4062800 CPU: 12076.6, 0.00294341/step Wall: 12076.6, 0.00294341/step, 0.766267 hours remaining, 207.292969 MB of memory in use. ENERGY: 4062800 719.9223 1993.6959 1950.1476 111.0379 -206374.5573 18099.9897 0.0000 0.0000 33988.3250 -149511.4391 296.8285 -183499.7641 -149410.1815 298.8210 113.2282 147.2792 558556.6223 2.6515 2.6297 PRESSURE: 4063000 -206.648 46.6371 -36.0632 46.6389 -25.9428 -151.455 -36.0624 -151.455 -198.667 GPRESSURE: 4063000 -191.503 39.7892 20.4524 14.7146 -22.9722 -160.785 -99.0524 -179.105 -104.229 PRESSAVG: 4063000 65.1303 -27.4418 31.5062 -27.4418 -4.66828 -27.6355 31.5061 -27.6355 -36.8966 GPRESSAVG: 4063000 64.7993 -26.5629 31.4543 -29.1645 -4.89374 -27.9137 31.2396 -25.0487 -36.133 TIMING: 4063000 CPU: 12077.2, 0.00293506/step Wall: 12077.2, 0.00293506/step, 0.763931 hours remaining, 207.292969 MB of memory in use. ENERGY: 4063000 771.5487 2045.1234 1943.4100 108.3316 -206021.1727 17764.2127 0.0000 0.0000 33895.9186 -149492.6278 296.0215 -183388.5463 -149406.6216 297.9459 -143.7527 -106.2348 559977.3472 7.8551 7.9242 PRESSURE: 4063200 -36.4591 -76.0467 74.844 -76.0472 -4.04366 104.128 74.8438 104.128 87.4128 GPRESSURE: 4063200 14.2754 -107.667 198.027 32.0389 30.0967 57.4876 42.5946 120.565 108.535 PRESSAVG: 4063200 -33.3187 -37.5494 42.2716 -37.5494 -4.65911 20.4867 42.2716 20.4868 -41.6837 GPRESSAVG: 4063200 -34.1673 -38.4839 42.2324 -37.3792 -4.34688 21.341 41.0058 18.6708 -41.4158 TIMING: 4063200 CPU: 12077.8, 0.00293061/step Wall: 12077.8, 0.00293061/step, 0.76261 hours remaining, 207.292969 MB of memory in use. ENERGY: 4063200 745.2934 2036.6200 1946.0032 123.2112 -206648.4221 18015.5305 0.0000 0.0000 34050.1357 -149731.6282 297.3683 -183781.7639 -149644.8473 297.6396 15.6367 50.9692 558358.0676 -26.5538 -26.6433 PRESSURE: 4063400 210.519 154.177 -120.444 154.177 131.52 46.7224 -120.445 46.7225 -268.124 GPRESSURE: 4063400 235.14 134.99 -115.053 148.979 144.216 6.38642 -139.374 77.0345 -207.329 PRESSAVG: 4063400 28.6485 -45.3197 -36.977 -45.3198 3.27541 -1.1584 -36.9771 -1.1584 -10.2975 GPRESSAVG: 4063400 29.1422 -44.3171 -35.8256 -44.7774 3.93622 -2.70051 -35.2045 -0.665851 -11.7563 TIMING: 4063400 CPU: 12078.4, 0.00292666/step Wall: 12078.4, 0.00292666/step, 0.76142 hours remaining, 207.292969 MB of memory in use. ENERGY: 4063400 711.0619 2076.0022 1952.6976 112.9108 -206546.3251 17863.1380 0.0000 0.0000 34123.0967 -149707.4179 298.0055 -183830.5146 -149615.9903 298.0025 24.6386 57.3422 556265.0893 7.2088 7.1073 PRESSURE: 4063600 78.1251 10.1138 108.76 10.1139 -378.698 -27.303 108.76 -27.3012 -389.025 GPRESSURE: 4063600 126.613 10.5013 15.4603 -16.6525 -360.914 -5.24606 30.4319 4.88937 -362.25 PRESSAVG: 4063600 38.1425 -0.256441 27.7523 -0.256438 -31.4337 23.4364 27.7523 23.4363 3.35597 GPRESSAVG: 4063600 39.1195 -0.161092 24.1376 -2.14796 -33.3772 25.1297 28.3675 24.6577 4.15227 TIMING: 4063600 CPU: 12079, 0.00294495/step Wall: 12079, 0.00294495/step, 0.766013 hours remaining, 207.292969 MB of memory in use. ENERGY: 4063600 770.4585 2027.2323 1965.2951 106.7034 -206144.4441 17502.9599 0.0000 0.0000 34157.8333 -149613.9617 298.3089 -183771.7950 -149519.4516 297.6192 -229.8661 -198.8502 557731.7568 3.3549 3.2982 PRESSURE: 4063800 9.49961 -68.3115 56.8161 -68.3131 209.812 -0.348751 56.8179 -0.347549 -178.309 GPRESSURE: 4063800 82.4839 -88.0774 15.4907 42.5818 266.708 32.5934 113.987 -49.8235 -198.849 PRESSAVG: 4063800 -17.9419 4.10175 81.6378 4.10164 38.5691 76.2578 81.6378 76.2577 -23.0768 GPRESSAVG: 4063800 -17.6835 3.80051 83.3473 5.62169 38.4088 77.5899 82.7377 72.672 -23.504 TIMING: 4063800 CPU: 12079.6, 0.00295917/step Wall: 12079.6, 0.00295917/step, 0.769549 hours remaining, 207.292969 MB of memory in use. ENERGY: 4063800 709.6890 2062.3216 1928.0282 116.7945 -206477.8330 17705.0508 0.0000 0.0000 34330.1796 -149625.7693 299.8140 -183955.9489 -149539.0570 298.3024 13.6676 50.1143 555795.0004 -0.8165 -0.9263 PRESSURE: 4064000 -165.88 -92.1079 -56.7815 -92.1061 0.277319 24.1101 -56.7813 24.1094 268.408 GPRESSURE: 4064000 -62.4351 53.3856 -43.3279 -173.538 -13.2731 39.3188 31.6971 51.1706 265.268 PRESSAVG: 4064000 0.85418 -39.2382 14.091 -39.2382 29.179 23.1297 14.091 23.1297 -6.46158 GPRESSAVG: 4064000 -0.166221 -39.933 14.6824 -39.7595 29.7007 22.1179 13.1746 25.4584 -6.0518 TIMING: 4064000 CPU: 12080.2, 0.00295959/step Wall: 12080.2, 0.00295959/step, 0.769494 hours remaining, 207.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4064000 734.7107 2120.4782 1927.2209 111.0832 -206352.4269 17916.0340 0.0000 0.0000 34158.3672 -149384.5327 298.3135 -183542.8999 -149291.6143 298.2746 34.2684 63.1865 556598.8051 7.8572 7.8276 PRESSURE: 4064200 9.82798 -13.5548 -166.826 -13.5545 60.7237 1.91258 -166.827 1.91284 227.98 GPRESSURE: 4064200 50.8779 28.7599 -116.611 -20.2859 72.5897 -4.95121 -201.013 -15.0405 257.213 PRESSAVG: 4064200 -22.0125 -9.83437 -11.0121 -9.83437 -4.80247 -17.1202 -11.0121 -17.1202 51.6313 GPRESSAVG: 4064200 -21.7239 -8.4417 -9.45619 -9.52984 -4.37289 -17.7936 -10.9459 -17.1218 51.4975 TIMING: 4064200 CPU: 12080.8, 0.00292943/step Wall: 12080.8, 0.00292943/step, 0.761488 hours remaining, 207.292969 MB of memory in use. ENERGY: 4064200 734.9744 2102.7731 1927.1204 108.9989 -206323.9205 17889.0333 0.0000 0.0000 34203.9114 -149357.1091 298.7113 -183561.0205 -149259.1042 299.0147 99.5107 126.8934 557953.5489 8.2721 8.4669 LDB: ============= START OF LOAD BALANCING ============== 12084.3 LDB: ============== END OF LOAD BALANCING =============== 12084.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12084.3 LDB: ============= START OF LOAD BALANCING ============== 12084.6 LDB: Largest compute 4809 load 0.024491 is 20.7% of average load 0.118231 LDB: Average compute 0.001724 is 1.5% of average load 0.118231 LDB: TIME 12084.6 LOAD: AVG 0.118231 MAX 0.19908 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 12084.6 LOAD: AVG 0.118231 MAX 0.19908 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: TIME 12084.6 LOAD: AVG 0.118231 MAX 0.19908 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: ============== END OF LOAD BALANCING =============== 12084.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12084.6 PRESSURE: 4064400 -99.3453 29.1118 -150.302 29.1128 349.713 77.1179 -150.302 77.1191 56.8407 GPRESSURE: 4064400 -65.0646 44.5487 -71.7011 73.5239 414.202 1.73676 -228.014 150.941 53.8465 PRESSAVG: 4064400 -76.212 70.1936 5.02603 70.1935 21.1097 -30.1023 5.02607 -30.1023 14.7377 GPRESSAVG: 4064400 -76.3195 70.5695 3.7888 69.7957 21.6688 -29.0927 5.19806 -33.4282 14.1037 TIMING: 4064400 CPU: 12081.4, 0.00299727/step Wall: 12081.4, 0.00299726/step, 0.778956 hours remaining, 208.023438 MB of memory in use. ENERGY: 4064400 764.1866 2087.7536 1946.2096 103.9046 -206981.8590 18168.9158 0.0000 0.0000 34424.2732 -149486.6157 300.6357 -183910.8889 -149389.8622 298.4948 102.4027 134.3278 557114.3094 -13.4549 -13.5156 PRESSURE: 4064600 120.032 15.9853 -8.24503 15.9838 152.376 -155.873 -8.24521 -155.874 -152.796 GPRESSURE: 4064600 151.732 59.2873 -22.8486 13.0382 170.78 -177.834 -56.1522 -177.739 -102.241 PRESSAVG: 4064600 35.2414 -9.21038 64.0839 -9.21041 -29.9915 12.793 64.0839 12.793 -12.3866 GPRESSAVG: 4064600 34.0931 -8.19918 63.9328 -10.0339 -29.642 11.99 63.6784 13.5311 -11.6996 TIMING: 4064600 CPU: 12081.9, 0.00295589/step Wall: 12081.9, 0.00295589/step, 0.768038 hours remaining, 208.023438 MB of memory in use. ENERGY: 4064600 768.0514 2130.6029 1950.4161 104.5956 -206424.9358 17990.5759 0.0000 0.0000 34226.8670 -149253.8269 298.9117 -183480.6939 -149159.0297 299.1598 39.8708 73.4236 557429.2567 -2.3789 -2.4162 PRESSURE: 4064800 127.356 26.1557 184.853 26.1562 -127.437 -223.942 184.852 -223.942 32.3615 GPRESSURE: 4064800 92.7721 12.8322 144.824 63.8934 -7.23181 -152.226 268.3 -257.325 37.8715 PRESSAVG: 4064800 24.125 -15.797 53.5942 -15.797 12.842 -22.2812 53.5942 -22.281 -47.8583 GPRESSAVG: 4064800 24.8167 -16.7401 53.6764 -15.6888 12.4159 -21.4425 53.4187 -22.5283 -47.441 TIMING: 4064800 CPU: 12082.5, 0.00296939/step Wall: 12082.5, 0.00296939/step, 0.77138 hours remaining, 208.023438 MB of memory in use. ENERGY: 4064800 759.8004 2050.9526 1928.0758 110.4058 -206289.8689 17961.4543 0.0000 0.0000 34126.2601 -149352.9198 298.0331 -183479.1799 -149255.0229 298.9438 10.7603 41.1373 558258.9217 -3.6304 -3.4028 PRESSURE: 4065000 145.853 -86.6776 44.6466 -86.6765 -124.526 -48.1328 44.6474 -48.1328 -78.5332 GPRESSURE: 4065000 226.116 -101.242 -11.9138 -75.3537 -137.576 -73.2783 93.354 -16.9428 -46.0315 PRESSAVG: 4065000 50.1918 5.19273 26.5408 5.19266 -66.528 11.7758 26.5408 11.7758 35.0195 GPRESSAVG: 4065000 50.8874 3.52568 26.056 5.65803 -66.3881 9.61314 26.9651 13.0663 34.7298 TIMING: 4065000 CPU: 12083.1, 0.00295427/step Wall: 12083.1, 0.00295427/step, 0.76729 hours remaining, 208.023438 MB of memory in use. ENERGY: 4065000 757.8710 2145.7954 1949.2265 131.9924 -206303.6047 17836.5019 0.0000 0.0000 34346.4910 -149135.7265 299.9564 -183482.2175 -149044.5915 299.0721 -19.0687 14.1695 557728.8568 6.2277 6.4097 PRESSURE: 4065200 148.209 -0.840094 -120.438 -0.840715 69.6959 54.4897 -120.438 54.4895 184.103 GPRESSURE: 4065200 230.279 7.38428 -141.506 -58.4432 70.3648 49.4955 -165.351 50.5775 202.796 PRESSAVG: 4065200 -23.8098 -6.82396 -17.2176 -6.82401 -16.2204 22.215 -17.2176 22.2149 47.7294 GPRESSAVG: 4065200 -23.9986 -3.96988 -16.6538 -7.66319 -17.5319 23.836 -17.1196 23.0789 49.3491 TIMING: 4065200 CPU: 12083.7, 0.0029493/step Wall: 12083.7, 0.0029493/step, 0.765834 hours remaining, 208.023438 MB of memory in use. ENERGY: 4065200 793.4353 2065.9746 1937.4806 115.0794 -206431.1349 18061.4584 0.0000 0.0000 34270.5353 -149187.1713 299.2931 -183457.7066 -149085.9889 299.0599 134.0026 167.8134 556937.9820 2.5664 2.6062 PRESSURE: 4065400 -168.589 43.5246 68.3642 43.5246 -90.3293 21.3061 68.363 21.3055 -87.801 GPRESSURE: 4065400 -138.284 46.3294 107.067 104.647 -107.615 65.8071 26.0987 88.8689 -11.5879 PRESSAVG: 4065400 -12.1394 30.0771 -18.2922 30.0771 -1.6232 -8.41427 -18.2922 -8.41429 15.6507 GPRESSAVG: 4065400 -12.3162 27.2472 -19.0208 31.6302 -1.13846 -8.7005 -16.5112 -9.69404 15.4858 TIMING: 4065400 CPU: 12084.3, 0.00293675/step Wall: 12084.3, 0.00293675/step, 0.762414 hours remaining, 208.023438 MB of memory in use. ENERGY: 4065400 798.0466 2079.3193 1903.0590 100.4469 -205473.2924 17562.8439 0.0000 0.0000 33986.6514 -149042.9253 296.8139 -183029.5767 -148951.5646 299.4372 -115.5729 -85.8290 559041.3800 0.6294 0.6770 PRESSURE: 4065600 -79.5083 179.07 -62.8678 179.069 -402.808 122.439 -62.8679 122.44 -127.166 GPRESSURE: 4065600 -19.098 146.922 -112.807 162.552 -342.627 160.892 -6.73171 58.1873 -129.538 PRESSAVG: 4065600 24.0748 -65.778 -7.68736 -65.778 -66.1851 28.3373 -7.68738 28.3374 65.2173 GPRESSAVG: 4065600 24.3005 -64.2953 -9.31372 -67.004 -66.1693 29.1042 -8.98461 26.856 64.8206 TIMING: 4065600 CPU: 12084.9, 0.00294594/step Wall: 12084.9, 0.00294594/step, 0.764636 hours remaining, 208.023438 MB of memory in use. ENERGY: 4065600 757.8779 2114.8815 1944.3808 116.6369 -205768.7250 17640.3892 0.0000 0.0000 34171.6510 -149022.9077 298.4295 -183194.5587 -148927.6973 299.6471 -203.1606 -163.7545 560361.1041 7.7023 7.6506 PRESSURE: 4065800 6.46603 -180.726 -8.65712 -180.727 -110.459 -20.0462 -8.65595 -20.0469 5.56521 GPRESSURE: 4065800 25.9036 -170.38 -23.5269 -102.598 -32.9786 -49.5947 -6.03795 -17.2434 16.1709 PRESSAVG: 4065800 8.76772 13.7599 21.5039 13.7599 -105.745 19.6965 21.5038 19.6966 55.665 GPRESSAVG: 4065800 8.68635 11.3307 24.084 16.3071 -105.52 18.5622 19.9921 20.3915 55.7028 TIMING: 4065800 CPU: 12085.5, 0.00294006/step Wall: 12085.5, 0.00294006/step, 0.762946 hours remaining, 208.023438 MB of memory in use. ENERGY: 4065800 771.8006 2109.6285 1941.6137 131.2386 -206557.4150 17955.1919 0.0000 0.0000 34322.4164 -149325.5254 299.7462 -183647.9418 -149221.5803 299.2661 -32.8093 3.0320 558536.3755 -13.7707 -13.7104 PRESSURE: 4066000 -60.0573 -110.382 -139.559 -110.383 -229.495 -151.421 -139.56 -151.419 -8.79999 GPRESSURE: 4066000 -81.5177 -179.369 -77.2908 -68.8755 -146.274 -158.879 -215.882 -22.6487 27.5946 PRESSAVG: 4066000 21.8188 -1.47098 -67.4494 -1.47107 -35.0623 -26.3837 -67.4494 -26.3836 11.6006 GPRESSAVG: 4066000 22.1412 -0.523959 -69.1029 -4.96212 -35.9096 -25.7145 -63.7441 -25.0768 11.7317 TIMING: 4066000 CPU: 12086.1, 0.00296095/step Wall: 12086.1, 0.00296095/step, 0.768203 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4066000 764.7191 2089.8406 1960.7638 113.9423 -206294.4442 17636.3555 0.0000 0.0000 34338.5321 -149390.2908 299.8869 -183728.8230 -149292.2690 299.8478 -99.4509 -66.7325 555784.5064 -0.5476 -0.6789 PRESSURE: 4066200 46.2696 -103.622 -113.537 -103.623 269.046 -51.1624 -113.537 -51.1621 248.236 GPRESSURE: 4066200 105.804 -123.891 -111.264 -94.8787 313.844 -222.482 -141.669 12.0825 251.869 PRESSAVG: 4066200 31.3051 -23.1626 -15.2255 -23.1625 2.73856 77.3475 -15.2255 77.3476 12.642 GPRESSAVG: 4066200 30.6036 -23.5187 -14.9199 -21.8947 3.02426 76.2507 -18.0813 78.7118 12.7228 TIMING: 4066200 CPU: 12086.7, 0.00296204/step Wall: 12086.7, 0.00296204/step, 0.76832 hours remaining, 208.023438 MB of memory in use. ENERGY: 4066200 724.4760 2100.9506 1966.0619 116.5565 -206268.6219 17867.5984 0.0000 0.0000 34244.6948 -149248.2837 299.0674 -183492.9785 -149159.9742 299.5695 187.8505 223.8388 555678.3182 15.5619 15.4502 PRESSURE: 4066400 6.15675 -164.301 -147.73 -164.301 -331.155 16.5238 -147.729 16.5217 -160.504 GPRESSURE: 4066400 -5.15726 -179.042 -168.151 -149.471 -198.305 67.0815 -201.375 -40.2799 -183.132 PRESSAVG: 4066400 18.2701 -33.683 9.03507 -33.6829 -54.1463 1.35154 9.03504 1.35152 30.5192 GPRESSAVG: 4066400 18.1593 -32.9784 8.05838 -35.2575 -53.9478 1.89274 9.41494 -0.461476 30.7862 TIMING: 4066400 CPU: 12087.3, 0.00297491/step Wall: 12087.3, 0.00297491/step, 0.771494 hours remaining, 208.023438 MB of memory in use. ENERGY: 4066400 788.6866 2076.9248 1921.7918 118.4790 -205921.0044 17564.5071 0.0000 0.0000 34333.7514 -149116.8638 299.8452 -183450.6151 -149029.4087 299.6110 -161.8344 -128.8649 557109.1534 -1.7857 -1.6674 PRESSURE: 4066600 40.1719 -66.8123 -74.5263 -66.812 -38.3206 -62.7282 -74.527 -62.7274 -140.21 GPRESSURE: 4066600 28.7341 -124.662 -145.844 -75.1563 18.9991 -99.9585 -112.615 -52.6423 -87.1016 PRESSAVG: 4066600 6.43383 27.5736 -55.1846 27.5734 -102.343 -17.7023 -55.1845 -17.7022 48.5726 GPRESSAVG: 4066600 6.33744 28.4191 -53.9961 29.2416 -103.394 -20.3642 -53.2981 -15.5132 49.0535 TIMING: 4066600 CPU: 12087.9, 0.00296133/step Wall: 12087.9, 0.00296133/step, 0.767807 hours remaining, 208.023438 MB of memory in use. ENERGY: 4066600 784.7922 2105.4267 1970.1747 119.8656 -205972.5012 17746.8241 0.0000 0.0000 34459.6648 -148785.7532 300.9448 -183245.4180 -148696.5344 299.5664 -46.1195 -13.1228 557137.0055 -15.7789 -16.0011 PRESSURE: 4066800 -142.823 88.5295 126.712 88.5304 -11.7268 6.17251 126.711 6.17236 45.2588 GPRESSURE: 4066800 -120.869 81.1691 136.281 77.1538 30.2758 -74.7552 99.5471 34.1303 79.6706 PRESSAVG: 4066800 34.2511 52.2013 -7.72902 52.2014 -48.1785 -1.98516 -7.729 -1.98527 9.52312 GPRESSAVG: 4066800 33.8067 48.5063 -8.53866 52.7208 -46.924 -2.00272 -7.32039 -3.2717 9.0558 TIMING: 4066800 CPU: 12088.5, 0.00297568/step Wall: 12088.5, 0.00297568/step, 0.771363 hours remaining, 208.023438 MB of memory in use. ENERGY: 4066800 766.6497 2137.2125 1914.2638 121.6286 -205874.6229 17558.8428 0.0000 0.0000 34427.8637 -148948.1617 300.6671 -183376.0254 -148846.6320 300.6305 -36.4302 -3.6410 558130.2798 -1.4681 -1.3538 PRESSURE: 4067000 57.253 18.0592 65.1082 18.0579 1.04474 -36.6464 65.1075 -36.6459 -247.701 GPRESSURE: 4067000 124.655 -40.5557 -15.4789 21.138 -5.47811 -17.0748 54.3837 -29.3008 -209.061 PRESSAVG: 4067000 2.10444 50.9366 16.9296 50.9366 22.1194 -9.18592 16.9296 -9.18596 -14.4834 GPRESSAVG: 4067000 2.47952 54.125 16.8636 49.2655 21.5685 -7.02684 14.8642 -10.6699 -14.1409 TIMING: 4067000 CPU: 12089, 0.0029508/step Wall: 12089, 0.0029508/step, 0.764749 hours remaining, 208.023438 MB of memory in use. ENERGY: 4067000 747.5130 2088.2036 1938.5050 122.6571 -206243.6228 17729.1235 0.0000 0.0000 34568.5410 -149049.0796 301.8957 -183617.6206 -148960.0501 300.4799 -63.1343 -29.9614 556855.8858 3.2468 3.3024 PRESSURE: 4067200 -177.199 -65.1903 -12.1273 -65.1897 27.1954 143.537 -12.1266 143.537 -82.0422 GPRESSURE: 4067200 -135.356 -61.3178 -8.79508 -107.405 34.674 101.351 -8.4203 190.185 -35.5092 PRESSAVG: 4067200 60.3162 -3.77865 -11.1604 -3.77862 -5.09996 -2.3397 -11.1605 -2.33963 -83.23 GPRESSAVG: 4067200 59.714 -5.13745 -11.0304 -2.45446 -4.8853 -2.2303 -10.6017 -1.00666 -82.4699 TIMING: 4067200 CPU: 12089.6, 0.00297467/step Wall: 12089.6, 0.00297467/step, 0.77077 hours remaining, 208.023438 MB of memory in use. ENERGY: 4067200 721.1314 2153.0062 1922.2663 110.6433 -206141.1679 17725.7232 0.0000 0.0000 34315.4266 -149192.9709 299.6852 -183508.3976 -149097.8085 299.8354 -77.3487 -45.3972 557767.9032 -9.3379 -9.2137 PRESSURE: 4067400 -140.519 -17.7611 -64.7889 -17.7626 -215.572 -31.1726 -64.7905 -31.173 -8.25372 GPRESSURE: 4067400 -143.758 -81.5806 -47.3569 5.37514 -197.445 -37.4668 -15.3011 -28.4257 70.0408 PRESSAVG: 4067400 84.0995 7.65114 -30.1075 7.65115 -34.7026 35.0324 -30.1075 35.0324 -8.69727 GPRESSAVG: 4067400 84.9506 9.56071 -30.1341 6.95863 -34.8963 34.9327 -29.8184 33.9711 -9.59553 TIMING: 4067400 CPU: 12090.2, 0.00299577/step Wall: 12090.2, 0.00299577/step, 0.77607 hours remaining, 208.023438 MB of memory in use. ENERGY: 4067400 754.5104 2106.2777 1936.5014 122.4303 -206164.8591 17717.1451 0.0000 0.0000 34244.9542 -149283.0400 299.0697 -183527.9942 -149186.3565 299.6981 -121.4481 -90.3874 557777.4286 13.5665 13.4862 PRESSURE: 4067600 30.4315 -56.5558 41.6625 -56.5571 158.744 -62.0845 41.6615 -62.0853 -269.163 GPRESSURE: 4067600 107.396 -151.982 24.7968 -32.3886 151.713 -45.2352 29.8771 -67.9516 -247.633 PRESSAVG: 4067600 -18.4781 -2.35439 -1.43503 -2.35433 15.5789 25.0025 -1.43513 25.0023 -44.0493 GPRESSAVG: 4067600 -18.7401 -2.85192 0.111809 -3.49754 16.5128 26.2253 -2.21257 24.0229 -43.7975 TIMING: 4067600 CPU: 12090.8, 0.00296164/step Wall: 12090.8, 0.00296164/step, 0.767065 hours remaining, 208.023438 MB of memory in use. ENERGY: 4067600 735.5278 2114.1499 1946.4215 128.7342 -205986.8189 17728.5180 0.0000 0.0000 34104.4128 -149229.0547 297.8423 -183333.4676 -149133.9790 298.3293 -26.6625 3.8255 558773.7740 -15.6495 -15.3416 PRESSURE: 4067800 -10.365 1.89331 172.921 1.8926 -286.156 -74.8792 172.922 -74.8789 -235.382 GPRESSURE: 4067800 8.36353 51.5713 185.15 3.02226 -209.647 -42.6444 210.953 -37.0181 -228.186 PRESSAVG: 4067800 10.927 -2.14874 43.9767 -2.14877 34.0263 15.317 43.9767 15.3171 -51.0353 GPRESSAVG: 4067800 10.668 -2.49045 43.2468 -0.54735 33.5971 14.7382 42.4995 17.7312 -50.6073 TIMING: 4067800 CPU: 12091.4, 0.00295561/step Wall: 12091.4, 0.00295561/step, 0.765339 hours remaining, 208.023438 MB of memory in use. ENERGY: 4067800 725.5961 2139.7885 1937.6163 103.0884 -206181.9109 17649.8909 0.0000 0.0000 34218.9884 -149406.9424 298.8429 -183625.9308 -149302.0793 298.9802 -177.3012 -143.1565 558345.6100 -2.0273 -2.1141 PRESSURE: 4068000 -101.067 106.609 -31.8189 106.608 1.83092 -5.2367 -31.819 -5.23637 91.138 GPRESSURE: 4068000 -58.7366 160.151 3.18159 134.315 35.9258 -45.963 -20.4357 22.5138 114.569 PRESSAVG: 4068000 20.9018 -28.131 30.8746 -28.131 13.2485 3.65162 30.8745 3.65158 -18.2713 GPRESSAVG: 4068000 22.1052 -27.5628 30.7878 -28.4737 11.8791 3.67359 32.2712 2.89969 -17.8232 TIMING: 4068000 CPU: 12092, 0.00297901/step Wall: 12092, 0.00297901/step, 0.771233 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4068000 772.4220 2151.3096 1928.8925 104.1231 -206379.0025 17816.7829 0.0000 0.0000 34167.7242 -149437.7482 298.3952 -183605.4724 -149345.8160 298.9846 -2.6995 30.5859 557233.6452 5.2930 5.3870 PRESSURE: 4068200 44.9412 114.136 3.04956 114.136 -250.039 58.7927 3.0505 58.7935 -164.879 GPRESSURE: 4068200 85.2366 76.1829 -26.6613 107.839 -229.329 41.5218 93.7089 20.2797 -124.824 PRESSAVG: 4068200 18.0866 11.657 52.8036 11.657 -40.8899 28.2277 52.8036 28.2278 -15.283 GPRESSAVG: 4068200 18.1665 11.6047 51.8542 11.4865 -40.0446 28.1611 53.0565 25.0996 -16.1416 TIMING: 4068200 CPU: 12092.6, 0.00296507/step Wall: 12092.6, 0.00296507/step, 0.767459 hours remaining, 208.023438 MB of memory in use. ENERGY: 4068200 791.2342 2118.9631 1934.1897 115.4325 -206013.2808 17566.8295 0.0000 0.0000 34063.7744 -149422.8574 297.4874 -183486.6317 -149331.2201 298.7953 -123.3257 -89.6388 558044.4064 -12.6954 -12.6733 LDB: ============= START OF LOAD BALANCING ============== 12096.2 LDB: ============== END OF LOAD BALANCING =============== 12096.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12096.2 LDB: ============= START OF LOAD BALANCING ============== 12096.4 LDB: Largest compute 4809 load 0.023964 is 20.3% of average load 0.118327 LDB: Average compute 0.001711 is 1.4% of average load 0.118327 LDB: TIME 12096.5 LOAD: AVG 0.118327 MAX 0.196964 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.566 MB LDB: TIME 12096.5 LOAD: AVG 0.118327 MAX 0.196964 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.566 MB LDB: TIME 12096.5 LOAD: AVG 0.118327 MAX 0.196964 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.566 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12096.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12096.5 PRESSURE: 4068400 14.5241 65.5548 -28.9161 65.5564 -375.191 -3.71663 -28.9156 -3.71827 28.2865 GPRESSURE: 4068400 56.1076 63.5422 -141.236 32.1874 -292.622 26.7254 -5.06906 -7.94118 7.88 PRESSAVG: 4068400 -8.44818 0.503208 -24.3713 0.503243 20.6647 66.3026 -24.3713 66.3025 11.0401 GPRESSAVG: 4068400 -7.62112 0.0631326 -24.8064 0.272725 20.7531 65.6333 -25.2622 68.853 10.7713 TIMING: 4068400 CPU: 12093.2, 0.00298409/step Wall: 12093.2, 0.00298409/step, 0.772215 hours remaining, 207.882812 MB of memory in use. ENERGY: 4068400 741.9328 2080.4558 1923.7605 106.8674 -206071.0158 17667.4734 0.0000 0.0000 34231.9497 -149318.5763 298.9561 -183550.5259 -149218.0877 299.2887 -110.7934 -76.2115 558201.0604 7.7522 7.9677 PRESSURE: 4068600 -19.0599 -102.44 1.77476 -102.44 -88.6145 -1.66867 1.7737 -1.66895 99.0217 GPRESSURE: 4068600 -19.6956 -69.4981 6.23388 -49.6008 -5.24036 -42.7303 79.5039 50.6704 113.48 PRESSAVG: 4068600 3.36684 46.7758 -13.7195 46.7758 -38.8146 7.28648 -13.7196 7.28645 44.171 GPRESSAVG: 4068600 3.92281 46.8719 -13.8695 46.3771 -39.3219 6.23064 -14.0014 7.7418 43.9738 TIMING: 4068600 CPU: 12093.8, 0.00292816/step Wall: 12093.8, 0.00292816/step, 0.75758 hours remaining, 207.949219 MB of memory in use. ENERGY: 4068600 742.0929 2091.5003 1916.1780 122.3897 -206290.6322 17706.5844 0.0000 0.0000 34481.6734 -149230.2134 301.1370 -183711.8868 -149139.2423 299.4972 -2.8842 29.5147 557248.7920 2.9078 2.8582 PRESSURE: 4068800 -129.823 -45.8504 58.4775 -45.8509 106.78 137.878 58.477 137.879 -229.431 GPRESSURE: 4068800 -134.424 2.68477 118.048 -91.1694 128.278 125.379 86.3664 155.424 -161.213 PRESSAVG: 4068800 -44.484 -2.95396 -13.9517 -2.9539 -20.1064 82.4986 -13.9517 82.4986 48.0787 GPRESSAVG: 4068800 -46.5466 -2.55604 -13.2484 -1.90427 -20.4193 84.5087 -13.3091 81.092 50.688 TIMING: 4068800 CPU: 12094.4, 0.00292892/step Wall: 12094.4, 0.00292892/step, 0.757613 hours remaining, 207.949219 MB of memory in use. ENERGY: 4068800 719.1180 2110.9863 1932.2088 124.2008 -205825.8919 17538.1496 0.0000 0.0000 34203.3273 -149197.9011 298.7062 -183401.2284 -149097.0647 299.1826 -84.1579 -55.7865 556986.1834 -5.5039 -5.4260 PRESSURE: 4069000 41.1701 -10.6099 3.98564 -10.6095 36.4096 22.7648 3.9857 22.7651 96.0982 GPRESSURE: 4069000 150.257 -2.91518 32.7685 61.7112 14.4133 -24.6669 50.7709 71.1173 108.183 PRESSAVG: 4069000 7.12181 27.8004 61.4164 27.8004 46.9456 114.018 61.4164 114.018 -54.5936 GPRESSAVG: 4069000 8.01534 27.2765 61.8015 26.3702 47.1301 112.768 59.8335 115.086 -56.1218 TIMING: 4069000 CPU: 12095, 0.00294656/step Wall: 12095, 0.00294656/step, 0.762013 hours remaining, 207.949219 MB of memory in use. ENERGY: 4069000 776.3219 2129.7813 1938.7082 125.4740 -206466.5834 17948.7584 0.0000 0.0000 34143.2854 -149404.2542 298.1818 -183547.5396 -149307.7151 298.6841 57.8926 90.9512 556014.4679 -0.1754 -0.3255 PRESSURE: 4069200 30.5222 -138.647 135.875 -138.647 43.8554 41.9864 135.875 41.9876 0.183869 GPRESSURE: 4069200 75.5019 -98.2845 150.747 -229.765 108.784 73.1938 138.779 -45.2605 -12.6232 PRESSAVG: 4069200 -59.0633 2.62816 -5.09438 2.62813 54.4366 76.3872 -5.09435 76.3871 7.37813 GPRESSAVG: 4069200 -60.3493 2.95326 -5.36501 -0.0597526 55.1692 77.5603 -5.04001 75.3893 7.96767 TIMING: 4069200 CPU: 12095.6, 0.00297134/step Wall: 12095.6, 0.00297134/step, 0.768256 hours remaining, 207.949219 MB of memory in use. ENERGY: 4069200 745.7391 2033.8865 1934.1269 116.7538 -206254.0992 17711.7905 0.0000 0.0000 34225.8631 -149485.9394 298.9030 -183711.8025 -149390.9086 299.0806 24.8538 57.2210 557244.4196 0.9171 0.9292 PRESSURE: 4069400 -261.112 9.06249 54.8943 9.06235 -14.3292 159.841 54.8942 159.84 -53.2836 GPRESSURE: 4069400 -280.582 39.7539 39.3103 -64.6485 26.6901 163.211 97.3136 145.595 14.8088 PRESSAVG: 4069400 -16.8731 -8.31137 18.6001 -8.31133 56.8535 49.3761 18.6001 49.3761 5.83189 GPRESSAVG: 4069400 -16.3269 -7.47743 18.7049 -6.56094 56.825 49.327 18.979 48.8102 4.68374 TIMING: 4069400 CPU: 12096.2, 0.00294114/step Wall: 12096.2, 0.00294114/step, 0.760285 hours remaining, 207.949219 MB of memory in use. ENERGY: 4069400 736.0424 2092.9004 1928.0929 117.7215 -206214.9944 17628.6286 0.0000 0.0000 34141.0220 -149570.5865 298.1620 -183711.6084 -149468.2801 298.7456 -109.5750 -79.6943 557182.3405 15.2708 15.0606 PRESSURE: 4069600 -261.041 173.663 -124.081 173.663 60.6011 -50.5787 -124.082 -50.5787 26.2792 GPRESSURE: 4069600 -305.94 142.696 -123.647 174.417 137.863 10.3598 -92.5795 -101.252 84.4241 PRESSAVG: 4069600 -3.70875 54.1666 -25.5438 54.1666 -7.45149 -1.93121 -25.5437 -1.93104 24.6344 GPRESSAVG: 4069600 -3.88826 54.159 -27.5277 54.9558 -7.69333 -3.45301 -26.0849 -1.01441 24.9865 TIMING: 4069600 CPU: 12096.7, 0.00293421/step Wall: 12096.7, 0.00293421/step, 0.758331 hours remaining, 207.949219 MB of memory in use. ENERGY: 4069600 743.4512 2060.9649 1991.1268 114.8564 -206340.1143 17912.7154 0.0000 0.0000 33990.6384 -149526.3610 296.8487 -183516.9994 -149432.3880 298.6200 -58.0536 -27.8845 558722.3832 4.4914 4.4683 PRESSURE: 4069800 -35.735 -143.244 130.793 -143.242 91.7785 -190.826 130.794 -190.826 -150.637 GPRESSURE: 4069800 33.9308 -97.8347 208.629 -76.5609 91.631 -200.386 -21.6557 -127.191 -113.859 PRESSAVG: 4069800 -21.5733 49.9017 56.1491 49.9016 0.981454 1.09726 56.1491 1.09733 38.0066 GPRESSAVG: 4069800 -22.6075 48.1344 56.4077 48.8748 1.76958 1.00857 57.8004 -0.158038 38.3252 TIMING: 4069800 CPU: 12097.3, 0.00293914/step Wall: 12097.3, 0.00293914/step, 0.759442 hours remaining, 207.949219 MB of memory in use. ENERGY: 4069800 764.4712 2121.0263 1948.2816 112.9402 -206591.8508 17878.4615 0.0000 0.0000 34114.6724 -149651.9976 297.9319 -183766.6701 -149552.1041 298.0028 -31.5312 3.9008 556996.4317 5.8049 5.8291 PRESSURE: 4070000 -37.7549 -37.4212 -6.63462 -37.4213 61.807 -52.4792 -6.63458 -52.4801 -9.45647 GPRESSURE: 4070000 8.95878 -41.0434 -64.2692 -38.9073 72.3476 2.31888 36.186 -94.6949 20.3329 PRESSAVG: 4070000 -32.958 6.81573 8.94189 6.81574 0.90367 7.42282 8.94181 7.42285 56.2916 GPRESSAVG: 4070000 -30.6882 7.74852 11.3309 7.17093 0.271132 7.05116 7.96123 8.27519 54.6165 TIMING: 4070000 CPU: 12097.9, 0.00293133/step Wall: 12097.9, 0.00293133/step, 0.757259 hours remaining, 207.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4070000 709.8097 2103.3564 1937.6038 113.6775 -206337.2540 17761.7889 0.0000 0.0000 34084.4242 -149626.5935 297.6678 -183711.0177 -149523.7821 297.7189 4.8652 33.8798 557428.4514 8.0791 8.0665 PRESSURE: 4070200 274.856 16.5104 -27.5316 16.5095 -28.2728 51.8355 -27.5304 51.8356 334.603 GPRESSURE: 4070200 271.263 18.0923 77.7441 10.8536 45.8687 60.4082 -26.2817 -9.93351 349.751 PRESSAVG: 4070200 -62.5121 12.2308 10.0893 12.2308 58.2635 74.4493 10.0893 74.4493 14.5346 GPRESSAVG: 4070200 -61.7448 13.256 10.8645 14.3199 58.9076 75.5911 9.41351 74.9239 12.8679 TIMING: 4070200 CPU: 12098.5, 0.00295623/step Wall: 12098.5, 0.00295623/step, 0.763529 hours remaining, 207.949219 MB of memory in use. ENERGY: 4070200 730.1988 2112.4497 1947.5274 109.5142 -206927.8864 18147.7284 0.0000 0.0000 34290.9427 -149589.5251 299.4713 -183880.4678 -149492.2518 298.1655 193.7288 222.2943 557372.2835 3.4287 3.3436 PRESSURE: 4070400 -135.579 13.1525 37.4856 13.1527 216.237 -102.192 37.4862 -102.191 -199.573 GPRESSURE: 4070400 -99.3101 27.1739 23.8632 -15.8588 274.002 -128.489 18.6988 -144.789 -176.393 PRESSAVG: 4070400 -16.4305 -36.8242 23.3518 -36.8242 54.3593 -73.2518 23.3518 -73.2518 -61.156 GPRESSAVG: 4070400 -18.6818 -36.5477 21.761 -40.2919 54.0202 -72.1697 24.9701 -73.8122 -58.276 TIMING: 4070400 CPU: 12099.1, 0.00294692/step Wall: 12099.1, 0.00294692/step, 0.760961 hours remaining, 207.949219 MB of memory in use. ENERGY: 4070400 754.1484 2074.2766 1960.6121 115.2400 -206228.2945 17702.7376 0.0000 0.0000 34140.9190 -149480.3609 298.1611 -183621.2799 -149382.4758 298.2108 -39.6381 -0.5672 556407.5848 -7.7424 -7.6459 PRESSURE: 4070600 -145.51 156.515 346.842 156.516 52.3123 48.5286 346.841 48.5281 -90.7666 GPRESSURE: 4070600 -99.6232 90.2873 240.713 190.054 58.212 69.1087 350.283 27.2044 -47.7877 PRESSAVG: 4070600 -10.4862 11.0438 39.1095 11.0438 55.1118 -3.49377 39.1095 -3.49385 -12.684 GPRESSAVG: 4070600 -9.18596 11.0953 36.3756 11.3657 53.8968 -5.60064 38.6263 -4.51476 -13.285 TIMING: 4070600 CPU: 12099.7, 0.00294344/step Wall: 12099.7, 0.00294344/step, 0.759898 hours remaining, 207.949219 MB of memory in use. ENERGY: 4070600 749.6393 2106.8200 1933.7011 98.2590 -206170.0027 17790.0780 0.0000 0.0000 34184.9114 -149306.5940 298.5453 -183491.5054 -149214.8199 299.3015 -61.3213 -29.7329 557489.8128 10.6472 10.4752 PRESSURE: 4070800 -108.526 -69.892 -82.0159 -69.8934 200.649 148.746 -82.017 148.746 254.943 GPRESSURE: 4070800 -69.89 -110.27 -120.212 27.7624 245.934 214.604 -46.2291 148.417 261.75 PRESSAVG: 4070800 -40.7581 -5.96428 -15.5685 -5.96419 19.0511 -3.69032 -15.5686 -3.69033 55.0043 GPRESSAVG: 4070800 -40.9713 -5.45143 -14.4501 -4.19272 20.1698 -2.69195 -14.9855 -3.70126 53.7161 TIMING: 4070800 CPU: 12100.3, 0.00295149/step Wall: 12100.3, 0.00295149/step, 0.761812 hours remaining, 207.949219 MB of memory in use. ENERGY: 4070800 763.1091 2087.8769 1922.2669 105.6903 -206361.9585 18103.3030 0.0000 0.0000 34101.7451 -149277.9673 297.8190 -183379.7124 -149181.3515 298.7326 115.6888 145.9311 557920.4906 11.0991 10.9715 PRESSURE: 4071000 14.0909 -31.2716 19.7276 -31.2728 139.365 40.3521 19.727 40.3511 223.242 GPRESSURE: 4071000 -14.9549 9.29406 -68.5658 -64.882 246.666 126.063 81.3125 -36.8412 238.686 PRESSAVG: 4071000 26.1854 -58.7852 -50.3272 -58.7851 46.4536 8.97422 -50.3272 8.97425 -42.8594 GPRESSAVG: 4071000 25.1804 -59.077 -48.7273 -59.1275 45.3599 7.66226 -52.809 11.1224 -40.4724 TIMING: 4071000 CPU: 12100.9, 0.00293782/step Wall: 12100.9, 0.00293782/step, 0.758121 hours remaining, 207.949219 MB of memory in use. ENERGY: 4071000 788.9397 2062.4751 1916.6053 121.4747 -206815.9128 18240.2668 0.0000 0.0000 34331.9645 -149354.1867 299.8296 -183686.1512 -149250.6302 298.3529 125.5660 156.7991 557589.2117 9.9266 10.0226 PRESSURE: 4071200 84.9301 -21.4059 -0.395311 -21.4066 112.91 126.399 -0.39614 126.397 100.157 GPRESSURE: 4071200 67.6742 12.6951 -55.7191 -67.0148 143.775 36.7511 -21.0145 198.882 193.426 PRESSAVG: 4071200 -11.8408 56.7007 -54.6988 56.7006 -11.841 3.80941 -54.6987 3.8095 -22.2991 GPRESSAVG: 4071200 -11.4242 57.2024 -54.6433 55.562 -11.9188 3.81286 -53.5027 2.89564 -22.7933 TIMING: 4071200 CPU: 12101.4, 0.0029545/step Wall: 12101.4, 0.0029545/step, 0.762262 hours remaining, 207.949219 MB of memory in use. ENERGY: 4071200 716.1820 2095.8821 1960.8867 109.8749 -206410.6868 18073.2667 0.0000 0.0000 34087.2146 -149367.3797 297.6921 -183454.5943 -149267.8532 298.1715 99.3323 134.9585 558701.3693 -15.3270 -15.3788 PRESSURE: 4071400 -2.93237 31.8004 -129.642 31.8 -233.08 -4.45315 -129.643 -4.45409 -277.843 GPRESSURE: 4071400 -21.0184 17.4878 -221.496 78.9169 -157.04 -11.5918 -111.51 2.69833 -233.37 PRESSAVG: 4071400 25.3125 34.0662 -16.5039 34.0663 -33.0675 14.9863 -16.5039 14.9863 21.5713 GPRESSAVG: 4071400 24.6402 33.1074 -17.2274 33.9944 -32.0282 15.1921 -17.4333 15.148 20.9393 TIMING: 4071400 CPU: 12102, 0.00293671/step Wall: 12102, 0.00293671/step, 0.757509 hours remaining, 207.949219 MB of memory in use. ENERGY: 4071400 745.1644 2059.2192 1934.5630 109.4114 -206017.2533 17509.1275 0.0000 0.0000 34272.1259 -149387.6419 299.3070 -183659.7678 -149295.0845 298.7611 -171.2850 -137.1429 556282.9466 4.6054 4.5171 PRESSURE: 4071600 -54.2487 69.3543 -82.1442 69.3543 -112.505 -8.45847 -82.1437 -8.45939 -141.394 GPRESSURE: 4071600 15.6816 -39.3175 -97.7507 183.605 -103.84 100.785 -133.821 5.99351 -120.402 PRESSAVG: 4071600 62.3213 -28.8893 -22.9202 -28.8893 -76.7075 24.0306 -22.9201 24.0305 -1.4258 GPRESSAVG: 4071600 63.0413 -30.1027 -21.7652 -27.7548 -77.0879 24.9866 -23.3372 24.0133 -2.08432 TIMING: 4071600 CPU: 12102.6, 0.0029526/step Wall: 12102.6, 0.0029526/step, 0.761443 hours remaining, 207.949219 MB of memory in use. ENERGY: 4071600 766.1983 2034.2031 1920.7366 101.5633 -206027.1921 17607.3041 0.0000 0.0000 34063.2209 -149533.9658 297.4826 -183597.1867 -149432.0102 298.5203 -102.7161 -69.5203 556954.4636 -5.2706 -5.3770 PRESSURE: 4071800 -259.194 -37.3099 -168.279 -37.3103 -178.97 -77.7553 -168.279 -77.7548 -392.143 GPRESSURE: 4071800 -230.519 -93.9953 -155.984 40.5831 -145.996 -135.866 -173.864 -20.8494 -350.511 PRESSAVG: 4071800 44.5891 -33.7171 -61.7134 -33.7172 -19.5512 -4.13596 -61.7134 -4.13599 -14.1724 GPRESSAVG: 4071800 45.5865 -32.6933 -62.9551 -33.6632 -19.9859 -4.14589 -61.4299 -5.66028 -14.6365 TIMING: 4071800 CPU: 12103.2, 0.00293388/step Wall: 12103.2, 0.00293388/step, 0.756452 hours remaining, 207.949219 MB of memory in use. ENERGY: 4071800 756.3780 2125.1875 1915.3706 107.0142 -205855.7745 17347.7882 0.0000 0.0000 34107.4239 -149496.6120 297.8686 -183604.0359 -149398.4300 298.3472 -276.7691 -242.3422 557219.0672 3.6219 3.6547 PRESSURE: 4072000 9.96461 2.80974 -7.47424 2.81 -98.6534 -32.2203 -7.47428 -32.2211 19.1441 GPRESSURE: 4072000 20.8201 14.8219 11.5846 -83.1039 -31.5111 -54.3451 -81.9553 37.0689 36.9521 PRESSAVG: 4072000 22.8451 -35.0435 -26.0437 -35.0435 23.8601 9.30058 -26.0437 9.30058 -38.5509 GPRESSAVG: 4072000 23.4303 -35.3437 -26.2618 -34.9411 24.0379 8.32276 -24.2925 11.9583 -39.2244 TIMING: 4072000 CPU: 12103.8, 0.00294341/step Wall: 12103.8, 0.00294341/step, 0.758746 hours remaining, 207.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4072000 739.2881 2060.7295 1921.7206 93.6385 -206221.8251 17691.6866 0.0000 0.0000 34180.5295 -149534.2323 298.5071 -183714.7618 -149431.9821 298.6075 -23.1815 8.7537 556360.4611 2.7181 2.7479 PRESSURE: 4072200 -237.54 -57.1001 -86.5018 -57.1003 -139.692 -32.745 -86.5012 -32.7446 -158.416 GPRESSURE: 4072200 -187.413 -152.606 -106.915 47.8756 -133.318 -10.5846 -45.8728 -59.2624 -113.7 PRESSAVG: 4072200 32.2262 0.451545 -68.7081 0.451579 -34.645 -43.1948 -68.7081 -43.1948 -39.7121 GPRESSAVG: 4072200 31.0597 2.22881 -68.4473 2.24818 -33.9912 -41.7899 -67.9205 -45.0033 -39.4332 TIMING: 4072200 CPU: 12104.4, 0.00294551/step Wall: 12104.4, 0.00294551/step, 0.759124 hours remaining, 207.949219 MB of memory in use. ENERGY: 4072200 734.1795 2097.1676 1922.3937 116.3460 -206090.9504 17584.7960 0.0000 0.0000 34046.6870 -149589.3807 297.3382 -183636.0677 -149491.9956 298.1026 -178.5496 -144.8103 558253.1664 -14.0436 -14.1215 LDB: ============= START OF LOAD BALANCING ============== 12107.9 LDB: ============== END OF LOAD BALANCING =============== 12107.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12107.9 LDB: ============= START OF LOAD BALANCING ============== 12108.2 LDB: Largest compute 4809 load 0.023130 is 19.6% of average load 0.118262 LDB: Average compute 0.001722 is 1.5% of average load 0.118262 LDB: TIME 12108.2 LOAD: AVG 0.118262 MAX 0.199166 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.98 MB LDB: TIME 12108.2 LOAD: AVG 0.118262 MAX 0.199166 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.184 MB LDB: TIME 12108.2 LOAD: AVG 0.118262 MAX 0.199166 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.184 MB LDB: ============== END OF LOAD BALANCING =============== 12108.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12108.2 PRESSURE: 4072400 -117.88 -23.9763 -42.782 -23.9764 -275.731 -52.7353 -42.7822 -52.7353 4.17386 GPRESSURE: 4072400 -133.957 -56.1953 -90.4342 -5.56917 -226.618 -23.089 -41.9651 -20.9385 70.8789 PRESSAVG: 4072400 -9.65353 -11.9736 -75.4462 -11.9736 -45.433 37.322 -75.4463 37.3219 84.554 GPRESSAVG: 4072400 -9.6175 -11.0648 -76.2375 -13.6667 -46.4416 36.693 -74.4778 37.1741 85.4731 TIMING: 4072400 CPU: 12105, 0.00301939/step Wall: 12105, 0.00301939/step, 0.777997 hours remaining, 208.078125 MB of memory in use. ENERGY: 4072400 772.1648 2050.0829 1955.4621 122.2763 -206477.7707 17825.5241 0.0000 0.0000 34102.9755 -149649.2850 297.8298 -183752.2605 -149553.4116 298.2672 -129.8124 -96.5653 557048.9993 9.8225 9.8046 PRESSURE: 4072600 -112.844 79.249 46.0236 79.2484 -210.178 89.9327 46.0235 89.9327 73.1409 GPRESSURE: 4072600 -76.0595 2.85081 22.5875 110.545 -185.786 171.097 15.0391 28.9576 112.378 PRESSAVG: 4072600 -6.35893 23.8527 -24.7622 23.8526 16.8192 41.7425 -24.7622 41.7425 14.2624 GPRESSAVG: 4072600 -6.18398 21.718 -23.6245 24.2696 16.165 42.8797 -28.082 41.546 15.2896 TIMING: 4072600 CPU: 12105.6, 0.00293608/step Wall: 12105.6, 0.00293608/step, 0.756367 hours remaining, 208.089844 MB of memory in use. ENERGY: 4072600 783.5809 2076.2792 1931.1678 123.8650 -206613.2314 17992.2401 0.0000 0.0000 34073.1615 -149632.9369 297.5694 -183706.0984 -149536.1397 297.6522 -83.2938 -49.8225 557623.7407 8.2409 8.4235 PRESSURE: 4072800 -144.314 46.2365 123.883 46.238 -8.43887 136.881 123.882 136.881 128.574 GPRESSURE: 4072800 -129.144 -28.2739 64.4351 29.1002 59.8372 197.874 89.4568 64.2742 145.358 PRESSAVG: 4072800 0.137038 -4.36398 9.44046 -4.36397 61.8078 -9.77557 9.44048 -9.77548 -1.18079 GPRESSAVG: 4072800 1.49668 -4.38644 6.17516 -4.23704 62.2816 -11.4583 11.103 -8.80771 -2.90861 TIMING: 4072800 CPU: 12106.2, 0.00292655/step Wall: 12106.2, 0.00292655/step, 0.753749 hours remaining, 208.089844 MB of memory in use. ENERGY: 4072800 726.0248 2094.2021 1955.7357 122.4534 -206345.5412 17710.0110 0.0000 0.0000 34031.7694 -149705.3449 297.2079 -183737.1142 -149604.5733 298.2185 -8.0596 25.3505 556599.3430 20.2547 20.2899 PRESSURE: 4073000 -175.386 -47.2168 56.2832 -47.2171 -155.829 23.3624 56.2841 23.3634 -30.8881 GPRESSURE: 4073000 -115.593 -4.1574 73.1626 -46.8307 -149.915 49.6505 129.216 -37.6847 11.4378 PRESSAVG: 4073000 -64.1613 -9.31626 11.9887 -9.31617 13.107 40.9208 11.9888 40.921 5.07281 GPRESSAVG: 4073000 -64.1264 -8.66025 13.5181 -9.79783 12.4543 41.2079 12.7452 40.2308 5.98156 TIMING: 4073000 CPU: 12106.8, 0.00295917/step Wall: 12106.8, 0.00295917/step, 0.761986 hours remaining, 208.089844 MB of memory in use. ENERGY: 4073000 723.0878 2077.3806 1953.9217 126.9559 -206501.1423 17716.8478 0.0000 0.0000 34043.2132 -149859.7352 297.3078 -183902.9484 -149768.3994 297.6989 -120.7011 -84.6899 557383.6147 -15.3272 -15.2302 PRESSURE: 4073200 35.4465 -6.87081 -224.74 -6.87184 10.2485 -52.1142 -224.74 -52.114 -4.12539 GPRESSURE: 4073200 5.47857 -46.5334 -274.275 -62.4337 90.0938 -28.7974 -165.705 -152.979 37.2443 PRESSAVG: 4073200 -33.2223 -28.9894 -38.3483 -28.9894 -7.05605 -42.225 -38.3483 -42.2249 -25.8397 GPRESSAVG: 4073200 -33.7982 -29.846 -37.3196 -28.8818 -6.0605 -41.485 -39.917 -42.2539 -26.1333 TIMING: 4073200 CPU: 12107.4, 0.00296605/step Wall: 12107.4, 0.00296605/step, 0.763593 hours remaining, 208.089844 MB of memory in use. ENERGY: 4073200 732.2300 2093.2584 1922.4363 115.1965 -206480.9872 17889.0827 0.0000 0.0000 34016.8033 -149711.9800 297.0772 -183728.7833 -149617.9787 297.7455 13.8566 44.2722 556991.0807 -22.0394 -21.9973 PRESSURE: 4073400 176.797 -46.8596 -78.9727 -46.859 32.5804 -76.5467 -78.9724 -76.5472 65.8863 GPRESSURE: 4073400 244.5 -114.251 -18.2715 28.8287 21.5529 -67.3512 -166.412 37.4523 87.2272 PRESSAVG: 4073400 -77.1634 -28.5982 -5.59002 -28.5981 25.2064 18.0527 -5.59005 18.0528 28.3855 GPRESSAVG: 4073400 -77.7303 -28.8218 -6.93663 -29.8475 25.5109 18.2242 -3.94645 17.0471 28.8644 TIMING: 4073400 CPU: 12107.9, 0.00296446/step Wall: 12107.9, 0.00296446/step, 0.76302 hours remaining, 208.089844 MB of memory in use. ENERGY: 4073400 766.2895 2148.5750 1946.7940 113.7589 -206828.8790 18017.2746 0.0000 0.0000 34180.6283 -149655.5586 298.5079 -183836.1869 -149560.5480 298.0431 91.7544 117.7602 556888.5800 -7.8572 -7.7850 PRESSURE: 4073600 16.2839 219.787 104.046 219.788 24.8068 -83.8466 104.045 -83.8464 -84.2849 GPRESSURE: 4073600 8.032 126.51 138.53 264.558 117.617 -91.6664 -19.6301 73.1134 -73.3452 PRESSAVG: 4073600 55.7808 -53.7041 26.5134 -53.7041 -32.7507 17.2819 26.5133 17.2818 42.3279 GPRESSAVG: 4073600 56.4239 -51.7205 26.8605 -52.3569 -32.7532 16.505 24.6986 18.7497 41.7708 TIMING: 4073600 CPU: 12108.5, 0.00295991/step Wall: 12108.5, 0.00295991/step, 0.761684 hours remaining, 208.089844 MB of memory in use. ENERGY: 4073600 732.6153 2136.5912 1963.4680 109.7994 -206583.1585 17711.3607 0.0000 0.0000 34341.4834 -149587.8404 299.9127 -183929.3239 -149485.2613 298.4810 -14.3981 17.4348 554828.3768 21.7860 21.8139 PRESSURE: 4073800 -13.1714 149.252 -244.914 149.252 -98.4132 -29.3668 -244.913 -29.3679 25.2577 GPRESSURE: 4073800 37.7047 121.466 -189.325 123.578 -89.2805 -0.902333 -223.849 -57.9397 73.0649 PRESSAVG: 4073800 -13.6163 10.2454 -35.0907 10.2454 -32.4851 4.4028 -35.0908 4.40268 47.6292 GPRESSAVG: 4073800 -14.8801 8.43684 -34.8804 9.33496 -31.4094 4.60739 -34.0049 3.35454 47.6343 TIMING: 4073800 CPU: 12109.1, 0.0029298/step Wall: 12109.1, 0.0029298/step, 0.753772 hours remaining, 208.089844 MB of memory in use. ENERGY: 4073800 782.6131 2093.8404 1940.1680 117.6772 -206423.6351 17726.0235 0.0000 0.0000 34292.8472 -149470.4657 299.4880 -183763.3130 -149381.2986 298.7407 -28.7757 7.1631 556442.5750 0.5093 0.4483 PRESSURE: 4074000 -254.41 2.64614 78.5421 2.64607 -57.2063 17.9649 78.543 17.9635 -182.96 GPRESSURE: 4074000 -248.772 86.2713 117.431 -39.3666 -79.6543 32.119 66.4102 -27.5399 -89.2566 PRESSAVG: 4074000 -36.4366 10.2802 -18.9666 10.2803 34.2021 26.1339 -18.9666 26.1338 22.5323 GPRESSAVG: 4074000 -36.0663 9.71212 -16.3271 10.9714 32.7282 26.1996 -19.7049 28.7707 23.654 TIMING: 4074000 CPU: 12109.7, 0.00293343/step Wall: 12109.7, 0.00293343/step, 0.754544 hours remaining, 208.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4074000 781.1299 2078.7611 1923.3537 107.5954 -206564.8215 17790.5687 0.0000 0.0000 34374.6659 -149508.7468 300.2025 -183883.4127 -149402.5280 298.7659 -164.8588 -139.2275 558169.7307 6.7659 6.7720 PRESSURE: 4074200 34.7656 154.621 149.116 154.621 -156.742 77.8891 149.115 77.8889 132.71 GPRESSURE: 4074200 103.368 182.757 105.33 133.338 -109.655 45.7503 79.3565 22.7041 102.602 PRESSAVG: 4074200 -28.7643 14.8349 -14.2528 14.8349 -27.4582 -18.4706 -14.2528 -18.4704 37.3415 GPRESSAVG: 4074200 -28.3474 16.0331 -15.9047 15.6143 -27.3855 -18.5706 -13.0199 -21.0495 36.9075 TIMING: 4074200 CPU: 12110.3, 0.00294089/step Wall: 12110.3, 0.00294089/step, 0.756298 hours remaining, 208.089844 MB of memory in use. ENERGY: 4074200 745.7534 2076.3970 1911.1530 97.1404 -206292.2230 17690.6551 0.0000 0.0000 34066.9160 -149704.2081 297.5149 -183771.1241 -149607.8854 298.8946 3.5780 32.1053 556367.3183 -6.2937 -6.2751 PRESSURE: 4074400 3.70229 -125.887 -13.4444 -125.887 -488.089 88.6912 -13.445 88.691 117.438 GPRESSURE: 4074400 60.2945 -129.408 -28.0705 -81.9674 -443.399 168.791 -37.8145 44.0728 105.315 PRESSAVG: 4074400 28.4074 1.25723 10.9646 1.25732 -117.645 -51.2851 10.9647 -51.2851 53.6007 GPRESSAVG: 4074400 29.6104 0.0829615 8.81576 -0.101019 -117.602 -50.6047 11.2696 -51.0361 52.5948 TIMING: 4074400 CPU: 12110.9, 0.00294737/step Wall: 12110.9, 0.00294737/step, 0.757802 hours remaining, 208.089844 MB of memory in use. ENERGY: 4074400 743.5684 2095.5150 1930.2791 123.7240 -206715.0986 17726.4033 0.0000 0.0000 34391.5797 -149704.0291 300.3502 -184095.6088 -149602.8383 298.7329 -122.3162 -92.5968 555669.8495 -11.8788 -11.7990 PRESSURE: 4074600 -434.258 18.2051 -79.2958 18.2056 -26.8842 -85.8332 -79.2965 -85.8339 15.1372 GPRESSURE: 4074600 -397.203 66.8742 -150.882 1.1446 58.7919 -37.4126 -1.50103 4.13419 -16.8908 PRESSAVG: 4074600 -27.991 -14.9617 -6.73645 -14.9618 -23.024 -41.4758 -6.73655 -41.4758 37.6029 GPRESSAVG: 4074600 -29.5843 -14.8701 -4.55521 -13.3734 -21.6549 -40.6502 -7.73338 -40.3576 38.3673 TIMING: 4074600 CPU: 12111.5, 0.00295655/step Wall: 12111.5, 0.00295655/step, 0.759998 hours remaining, 208.089844 MB of memory in use. ENERGY: 4074600 728.5398 2102.3662 1906.3575 100.6698 -206344.6194 17781.4522 0.0000 0.0000 34307.7372 -149417.4967 299.6180 -183725.2339 -149317.1020 298.5493 -148.6682 -118.4341 557137.3205 -4.4707 -4.2906 PRESSURE: 4074800 147.029 -100.066 70.8102 -100.066 -11.0218 -27.5226 70.8099 -27.5242 -84.7926 GPRESSURE: 4074800 218.051 -86.0788 10.5272 -90.347 -19.8361 47.7259 64.6129 -28.9299 -42.7938 PRESSAVG: 4074800 3.97702 25.9904 29.9914 25.9903 50.7677 -47.6142 29.9914 -47.6141 -56.2562 GPRESSAVG: 4074800 3.673 27.1336 30.5486 24.5297 51.3506 -47.7119 30.1514 -48.324 -56.1294 TIMING: 4074800 CPU: 12112.1, 0.00293331/step Wall: 12112.1, 0.00293331/step, 0.75386 hours remaining, 208.089844 MB of memory in use. ENERGY: 4074800 759.9968 2075.1469 1910.6369 117.5274 -206331.5486 17908.8166 0.0000 0.0000 34071.1599 -149488.2641 297.5519 -183559.4241 -149390.4845 298.0385 17.0714 51.8070 556242.4314 -0.5038 -0.3686 PRESSURE: 4075000 -344.103 -33.9754 -101.401 -33.9767 11.9952 151.679 -101.4 151.68 -230.373 GPRESSURE: 4075000 -355.599 58.8333 -107.954 -110.517 19.6698 102.779 -137.357 147.505 -128.379 PRESSAVG: 4075000 -4.4606 16.5025 6.18256 16.5025 13.8927 -30.3111 6.18266 -30.3112 3.46641 GPRESSAVG: 4075000 -5.24265 15.0103 6.42859 16.0519 13.2779 -31.322 6.1174 -30.3853 4.42527 TIMING: 4075000 CPU: 12112.7, 0.00292001/step Wall: 12112.7, 0.00292001/step, 0.750279 hours remaining, 208.089844 MB of memory in use. ENERGY: 4075000 771.2920 2128.4351 1937.5405 120.8200 -206784.1049 17815.7843 0.0000 0.0000 34455.1189 -149555.1141 300.9051 -184010.2330 -149464.6240 299.1979 -187.4935 -154.7692 556722.3167 4.2995 4.1535 PRESSURE: 4075200 -209.862 -73.0645 -5.03214 -73.0641 129.794 -117.729 -5.03348 -117.731 55.9742 GPRESSURE: 4075200 -154.835 -81.4918 25.2434 -109.34 139.104 -119.301 -104.73 -96.751 96.177 PRESSAVG: 4075200 14.0096 75.9118 -57.0305 75.9118 -21.765 -23.2545 -57.0305 -23.2545 -4.37876 GPRESSAVG: 4075200 15.1293 77.2223 -58.5236 75.2 -21.0563 -22.3223 -57.158 -22.8773 -5.4477 TIMING: 4075200 CPU: 12113.2, 0.00294152/step Wall: 12113.2, 0.00294152/step, 0.755643 hours remaining, 208.089844 MB of memory in use. ENERGY: 4075200 707.7467 2074.5888 1919.0511 141.6201 -206276.4833 17694.0353 0.0000 0.0000 34360.6556 -149378.7857 300.0802 -183739.4413 -149281.7248 299.2447 -8.0314 26.8151 557199.2971 -4.0447 -3.7915 PRESSURE: 4075400 223.171 135.607 -82.9073 135.608 145.635 195.722 -82.908 195.72 118.014 GPRESSURE: 4075400 209.587 131.009 -117.002 112.43 206.545 213.573 -68.6365 226.359 177.547 PRESSAVG: 4075400 -9.04717 3.83012 -35.8099 3.83012 -7.70149 52.478 -35.8099 52.478 -6.61419 GPRESSAVG: 4075400 -8.52861 2.40614 -35.4158 4.81637 -8.03279 51.956 -36.9544 50.7898 -6.70269 TIMING: 4075400 CPU: 12113.8, 0.00297984/step Wall: 12113.8, 0.00297984/step, 0.765322 hours remaining, 208.089844 MB of memory in use. ENERGY: 4075400 722.8255 2078.9311 1943.5979 108.0699 -206727.4586 18085.5837 0.0000 0.0000 34418.1855 -149370.2651 300.5826 -183788.4506 -149270.2706 299.3157 162.2732 197.8930 555349.4684 -7.7876 -7.7547 PRESSURE: 4075600 8.9862 9.58534 -101.583 9.58634 -159.228 -122.655 -101.583 -122.654 -46.2005 GPRESSURE: 4075600 36.4696 -7.79849 -104.012 -21.556 -120.759 -197.361 -51.9848 -114.915 -15.8124 PRESSAVG: 4075600 -8.40922 -12.179 -39.1149 -12.1791 -35.643 6.00397 -39.1148 6.00407 36.5574 GPRESSAVG: 4075600 -9.21531 -9.71422 -38.6549 -12.1589 -34.7418 6.97447 -37.6287 6.1979 36.3679 TIMING: 4075600 CPU: 12114.4, 0.00301828/step Wall: 12114.4, 0.00301828/step, 0.775027 hours remaining, 208.089844 MB of memory in use. ENERGY: 4075600 750.4087 2088.1979 1966.0406 113.5130 -206510.7789 17800.9709 0.0000 0.0000 34293.8307 -149497.8171 299.4966 -183791.6478 -149396.6708 299.8408 -65.4807 -33.3672 555801.9782 -2.4983 -2.5297 PRESSURE: 4075800 6.38112 65.5441 -26.6575 65.5439 7.4687 -2.82142 -26.6581 -2.82156 -182.691 GPRESSURE: 4075800 -3.10121 -47.7061 -81.9402 106.378 85.215 -13.8499 43.4843 18.044 -164.979 PRESSAVG: 4075800 31.7836 17.3386 12.1001 17.3387 -20.1913 15.7681 12.1001 15.7681 41.7602 GPRESSAVG: 4075800 32.1868 14.723 11.4985 16.4479 -20.8316 14.0863 13.0739 15.0841 41.9813 TIMING: 4075800 CPU: 12115, 0.00298811/step Wall: 12115, 0.00298811/step, 0.767113 hours remaining, 208.089844 MB of memory in use. ENERGY: 4075800 746.7317 2086.3390 1950.1007 111.2489 -206370.9152 17773.6033 0.0000 0.0000 34241.3819 -149461.5097 299.0385 -183702.8916 -149361.6924 299.4201 -56.2802 -27.6217 556937.0932 17.7842 17.7788 PRESSURE: 4076000 -132.96 51.4652 78.6937 51.4661 -183.123 -3.32351 78.6918 -3.32264 -85.846 GPRESSURE: 4076000 -141.354 -17.297 0.666506 109.83 -119.795 73.6877 117.435 28.7836 -40.4827 PRESSAVG: 4076000 11.2247 51.4004 -11.9132 51.4004 -29.8504 -34.2637 -11.9132 -34.2638 8.44801 GPRESSAVG: 4076000 10.5549 52.065 -13.9796 51.7593 -30.7747 -32.8417 -13.0685 -33.0803 9.90683 TIMING: 4076000 CPU: 12115.6, 0.00297042/step Wall: 12115.6, 0.00297042/step, 0.762407 hours remaining, 208.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4076000 734.0180 2162.9895 1941.6100 119.7471 -206065.4451 17579.0793 0.0000 0.0000 34160.1460 -149367.8553 298.3291 -183528.0013 -149270.6502 298.7603 -133.9763 -100.5440 556825.6415 -3.3926 -3.4377 PRESSURE: 4076200 -37.2982 67.0049 -137.802 67.0041 0.598832 162.745 -137.804 162.745 -186.258 GPRESSURE: 4076200 -17.9801 148.793 -179.667 -8.97611 52.1548 168.624 -100.635 141.952 -148.615 PRESSAVG: 4076200 18.1373 -23.1321 -8.90904 -23.1321 0.0382318 11.0472 -8.90903 11.0472 -40.5207 GPRESSAVG: 4076200 18.7332 -23.174 -8.8213 -22.9906 0.27367 9.91735 -8.51587 9.3556 -41.2522 TIMING: 4076200 CPU: 12116.2, 0.00293433/step Wall: 12116.2, 0.00293433/step, 0.752981 hours remaining, 208.089844 MB of memory in use. ENERGY: 4076200 739.5530 2060.9799 1973.0180 99.6540 -206457.0385 17842.0216 0.0000 0.0000 34298.4200 -149443.3921 299.5366 -183741.8120 -149351.9501 298.2303 -74.3190 -38.1469 557070.4021 -7.4484 -7.4151 LDB: ============= START OF LOAD BALANCING ============== 12119.8 LDB: ============== END OF LOAD BALANCING =============== 12119.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12119.8 LDB: ============= START OF LOAD BALANCING ============== 12120.1 LDB: Largest compute 4801 load 0.020730 is 17.5% of average load 0.118224 LDB: Average compute 0.001725 is 1.5% of average load 0.118224 LDB: TIME 12120.1 LOAD: AVG 0.118224 MAX 0.196189 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.023 MB LDB: TIME 12120.1 LOAD: AVG 0.118224 MAX 0.196189 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.027 MB LDB: TIME 12120.1 LOAD: AVG 0.118224 MAX 0.196189 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.027 MB LDB: ============== END OF LOAD BALANCING =============== 12120.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12120.1 PRESSURE: 4076400 54.919 -13.1311 123.711 -13.1303 217.072 -15.0087 123.712 -15.0099 95.7537 GPRESSURE: 4076400 122.062 -2.42858 161.444 -82.9706 226.299 -6.50687 182.049 -51.1158 117.153 PRESSAVG: 4076400 -42.9094 -10.1703 -67.9822 -10.1704 31.2135 -42.5538 -67.9822 -42.5539 -12.3029 GPRESSAVG: 4076400 -42.7709 -9.37372 -66.0232 -9.83823 30.4407 -43.5248 -68.9014 -41.6785 -12.2214 TIMING: 4076400 CPU: 12116.8, 0.00299016/step Wall: 12116.8, 0.00299016/step, 0.767141 hours remaining, 208.015625 MB of memory in use. ENERGY: 4076400 770.4576 2065.7094 1924.4667 106.4409 -206424.4712 18000.6278 0.0000 0.0000 34203.4264 -149353.3424 298.7070 -183556.7688 -149261.7928 298.4020 122.5815 155.1711 555784.8921 -7.9996 -8.1839 PRESSURE: 4076600 -117.49 22.3632 35.8925 22.3629 -334.454 -146.379 35.8936 -146.378 -196.538 GPRESSURE: 4076600 -162.951 22.0229 34.7863 85.9226 -222.118 -128.671 88.0485 -184.338 -149.577 PRESSAVG: 4076600 -79.0959 43.0941 -61.4079 43.0941 15.5969 -55.8121 -61.408 -55.8122 54.2733 GPRESSAVG: 4076600 -79.7096 42.9619 -60.5586 42.4445 16.2552 -54.0849 -61.8767 -55.2162 54.2539 TIMING: 4076600 CPU: 12117.4, 0.00292799/step Wall: 12117.4, 0.00292799/step, 0.75103 hours remaining, 208.273438 MB of memory in use. ENERGY: 4076600 762.2554 2049.7680 1948.3363 118.7399 -206021.2890 17566.8144 0.0000 0.0000 34328.2430 -149247.1321 299.7971 -183575.3751 -149146.9921 299.0702 -216.1608 -178.2156 556456.8893 -3.0752 -3.0668 PRESSURE: 4076800 -136.882 22.893 160.586 22.8926 139.851 -8.9172 160.585 -8.91751 44.2046 GPRESSURE: 4076800 -139.726 72.0643 146.111 -71.7515 190.576 -5.54642 170.133 -4.83242 97.9045 PRESSAVG: 4076800 -57.5199 27.2685 -54.4522 27.2685 11.2115 -19.1667 -54.4523 -19.1668 33.5457 GPRESSAVG: 4076800 -55.1129 25.2895 -56.3205 29.0225 9.41875 -20.313 -53.8552 -20.8875 33.2498 TIMING: 4076800 CPU: 12118, 0.00292143/step Wall: 12118, 0.00292143/step, 0.749186 hours remaining, 208.273438 MB of memory in use. ENERGY: 4076800 743.4942 2070.9656 1946.8003 116.6320 -206115.9633 17641.1099 0.0000 0.0000 34324.3194 -149272.6418 299.7628 -183596.9612 -149168.5320 299.2445 15.7247 49.5848 556758.1817 -4.2542 -4.1481 PRESSURE: 4077000 -33.4557 17.9773 -29.3398 17.9772 -49.4371 -133.808 -29.3407 -133.806 -160.712 GPRESSURE: 4077000 63.024 -15.527 -46.4124 121.712 -101.116 -124.579 38.7519 -174.169 -109.97 PRESSAVG: 4077000 -20.1246 11.5218 -8.5742 11.5217 50.1658 -17.8627 -8.57432 -17.8627 -29.7876 GPRESSAVG: 4077000 -21.6777 11.5823 -8.20581 11.6488 51.7949 -18.2707 -8.36776 -16.481 -29.9399 TIMING: 4077000 CPU: 12118.6, 0.0029373/step Wall: 12118.6, 0.0029373/step, 0.75309 hours remaining, 208.402344 MB of memory in use. ENERGY: 4077000 755.0786 2088.2955 1958.8061 124.9333 -206152.7264 17670.5745 0.0000 0.0000 34313.2777 -149241.7606 299.6664 -183555.0384 -149147.2563 299.0288 -81.2015 -49.3540 557055.4155 0.0845 0.0591 PRESSURE: 4077200 34.8842 -22.876 -7.68543 -22.8763 -87.8362 131.332 -7.68598 131.332 7.33647 GPRESSURE: 4077200 39.669 -10.8812 -81.6446 -25.583 -34.5903 125.063 -20.8811 130.867 51.686 PRESSAVG: 4077200 26.8131 20.9683 16.4614 20.9683 5.6357 -17.3435 16.4615 -17.3436 -29.4572 GPRESSAVG: 4077200 26.3431 22 16.0186 20.1807 7.36296 -16.1459 17.9421 -18.4611 -30.5838 TIMING: 4077200 CPU: 12119.2, 0.00295485/step Wall: 12119.2, 0.00295485/step, 0.757426 hours remaining, 208.402344 MB of memory in use. ENERGY: 4077200 760.6374 2073.6616 1913.3463 101.6595 -206075.0866 17833.6765 0.0000 0.0000 34078.9506 -149313.1547 297.6200 -183392.1053 -149211.6186 298.7698 -15.2052 18.9216 558117.7807 0.9972 1.0407 PRESSURE: 4077400 -303.349 64.4006 3.92153 64.4007 -132.45 119.643 3.92192 119.642 63.9548 GPRESSURE: 4077400 -236.517 49.3737 -14.6077 47.2144 -94.3606 142.348 136.54 98.4584 70.1014 PRESSAVG: 4077400 3.53064 62.4256 37.8304 62.4255 9.30939 37.1543 37.8304 37.1543 9.51014 GPRESSAVG: 4077400 4.939 61.1643 37.9789 61.9771 7.40106 39.1145 36.5068 37.5672 10.4741 TIMING: 4077400 CPU: 12119.8, 0.0029487/step Wall: 12119.8, 0.0029487/step, 0.755685 hours remaining, 208.410156 MB of memory in use. ENERGY: 4077400 782.7205 2025.0967 1944.5538 105.0252 -206311.9581 17716.5536 0.0000 0.0000 34473.0086 -149264.9998 301.0614 -183738.0084 -149166.2209 299.1232 -123.9481 -86.9253 558143.6462 7.4501 7.6047 PRESSURE: 4077600 -130.159 -35.8334 -10.1917 -35.8339 -205.002 163.121 -10.1916 163.122 -137.57 GPRESSURE: 4077600 -62.2375 -107.556 -46.6205 -8.20788 -177.251 54.6705 -42.8562 267.64 -142.643 PRESSAVG: 4077600 35.8734 -6.7174 14.0408 -6.71735 -73.4799 26.1856 14.0407 26.1855 17.1625 GPRESSAVG: 4077600 34.871 -5.50262 15.7409 -8.26948 -71.8586 25.2992 11.7293 25.8876 16.2769 TIMING: 4077600 CPU: 12120.3, 0.002927/step Wall: 12120.3, 0.002927/step, 0.749963 hours remaining, 208.410156 MB of memory in use. ENERGY: 4077600 753.3610 2048.2877 1934.8533 110.3842 -206323.1173 17702.0415 0.0000 0.0000 34403.2298 -149370.9598 300.4520 -183774.1896 -149264.9449 298.8699 -157.5771 -127.3771 558030.6232 -6.8147 -6.9036 PRESSURE: 4077800 144.808 -51.6816 -23.8483 -51.682 -18.7912 95.023 -23.8496 95.0221 192.904 GPRESSURE: 4077800 219.784 -24.3825 -33.749 -109.466 6.73897 70.3016 -52.971 105.896 191.989 PRESSAVG: 4077800 71.6413 10.6977 22.5133 10.6977 -32.9484 37.5981 22.5133 37.5981 -8.38054 GPRESSAVG: 4077800 70.5838 8.69727 21.1669 14.7085 -32.9349 37.7994 22.975 37.7193 -6.87766 TIMING: 4077800 CPU: 12120.9, 0.00294603/step Wall: 12120.9, 0.00294603/step, 0.754675 hours remaining, 208.410156 MB of memory in use. ENERGY: 4077800 744.3627 2042.0264 1937.5221 108.2769 -206868.5788 18037.3461 0.0000 0.0000 34382.8073 -149616.2374 300.2736 -183999.0447 -149521.0354 298.5605 106.3067 139.5037 556154.7669 10.1041 10.2571 PRESSURE: 4078000 -96.137 75.4854 108.562 75.4842 133.962 111.296 108.562 111.297 -204.833 GPRESSURE: 4078000 -87.5778 57.4603 187.928 6.02208 159.026 106.057 37.3019 49.2382 -134.876 PRESSAVG: 4078000 63.491 -28.3529 -27.0047 -28.3528 41.6506 -18.0412 -27.0048 -18.0412 -87.6292 GPRESSAVG: 4078000 63.9283 -26.9521 -28.5737 -30.2814 42.0918 -17.521 -24.5438 -18.3266 -88.1111 TIMING: 4078000 CPU: 12121.5, 0.00296351/step Wall: 12121.5, 0.00296351/step, 0.758988 hours remaining, 208.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4078000 748.2325 2058.0512 1937.9193 121.2786 -206149.8494 17558.4532 0.0000 0.0000 34161.6393 -149564.2753 298.3421 -183725.9146 -149466.8643 298.7866 -55.6693 -21.1428 556653.7734 5.8375 5.9697 PRESSURE: 4078200 74.669 71.3712 -44.5981 71.3709 -144.657 -334.235 -44.5981 -334.234 -137.173 GPRESSURE: 4078200 166.992 192.514 -13.046 -44.2647 -146.408 -343.281 42.5633 -198.382 -125.949 PRESSAVG: 4078200 0.342888 -4.47348 -12.5192 -4.47351 -13.2604 -17.7359 -12.5191 -17.7359 12.7463 GPRESSAVG: 4078200 0.958973 -2.85174 -8.60953 -4.72669 -13.2085 -18.3617 -15.1712 -18.516 12.1259 TIMING: 4078200 CPU: 12122.1, 0.00295027/step Wall: 12122.1, 0.00295027/step, 0.755433 hours remaining, 208.410156 MB of memory in use. ENERGY: 4078200 769.6692 2084.2487 1942.3157 101.8221 -206046.1250 17608.2298 0.0000 0.0000 33976.7035 -149563.1360 296.7270 -183539.8394 -149464.4943 297.6166 -69.0537 -35.1217 557330.8591 -0.0571 -0.0412 PRESSURE: 4078400 -18.2564 53.1609 11.1395 53.1601 -124.862 195.115 11.1395 195.116 -120.271 GPRESSURE: 4078400 -34.8655 90.6199 45.2806 55.7147 -89.4564 216.11 47.1718 85.9627 -30.4992 PRESSAVG: 4078400 20.4799 81.7964 36.5649 81.7965 -19.8438 12.9133 36.5649 12.9132 19.0575 GPRESSAVG: 4078400 19.4624 80.6978 34.4682 82.2594 -18.6838 13.0139 37.3027 13.5742 19.2823 TIMING: 4078400 CPU: 12122.7, 0.00295892/step Wall: 12122.7, 0.00295892/step, 0.757485 hours remaining, 208.410156 MB of memory in use. ENERGY: 4078400 753.0202 2071.1282 1935.7917 116.2834 -206294.9858 17706.2343 0.0000 0.0000 34266.7200 -149445.8079 299.2598 -183712.5279 -149347.9896 298.0634 -87.7963 -51.6070 556570.2397 6.5645 6.6870 PRESSURE: 4078600 -19.7256 51.7054 145.964 51.706 -333.405 130.2 145.963 130.201 82.7017 GPRESSURE: 4078600 16.4146 -42.363 140.331 49.3554 -300.355 66.6186 157.17 170.719 121.529 PRESSAVG: 4078600 12.5247 6.44527 26.048 6.44516 -17.0293 36.3285 26.048 36.3285 4.47161 GPRESSAVG: 4078600 13.4168 7.34028 25.7615 6.44024 -18.2619 35.0408 27.1673 35.52 5.15872 TIMING: 4078600 CPU: 12123.3, 0.00293033/step Wall: 12123.3, 0.00293033/step, 0.750003 hours remaining, 208.410156 MB of memory in use. ENERGY: 4078600 749.5626 2017.3775 1916.6712 108.0769 -206346.4858 17844.9905 0.0000 0.0000 34232.6830 -149477.1241 298.9625 -183709.8072 -149378.8094 298.8339 -90.1430 -54.1368 558773.3158 -0.0110 0.1046 PRESSURE: 4078800 -18.8417 -43.129 43.6938 -43.1283 -52.8259 24.7125 43.6944 24.7125 14.5093 GPRESSURE: 4078800 0.721151 -38.8057 57.8632 -73.7354 5.84057 -64.2738 57.327 51.3443 34.2842 PRESSAVG: 4078800 -7.94737 -15.024 47.9672 -15.024 35.4631 12.1096 47.9672 12.1095 -27.9215 GPRESSAVG: 4078800 -8.61436 -12.4278 44.4466 -16.3549 35.0868 11.2063 47.4058 13.5961 -26.8222 TIMING: 4078800 CPU: 12123.9, 0.00293747/step Wall: 12123.9, 0.00293747/step, 0.751665 hours remaining, 208.410156 MB of memory in use. ENERGY: 4078800 720.7722 2075.3396 1897.0074 103.8505 -206316.1236 17695.7423 0.0000 0.0000 34289.9491 -149533.4627 299.4627 -183823.4118 -149439.9208 298.5853 -19.0528 13.6153 556978.9359 -0.1353 -0.1166 PRESSURE: 4079000 51.6597 -133.631 -134.204 -133.632 -89.4158 4.658 -134.204 4.65779 -7.99678 GPRESSURE: 4079000 106.174 -178.775 -140.596 -98.0452 -50.1783 12.7658 -82.3684 9.14591 4.8222 PRESSAVG: 4079000 -29.9642 -17.4154 31.2932 -17.4156 34.3415 40.0102 31.2932 40.0103 30.1739 GPRESSAVG: 4079000 -28.4911 -19.4251 34.3905 -14.569 34.2154 41.117 30.8084 38.682 29.7775 TIMING: 4079000 CPU: 12124.5, 0.00292879/step Wall: 12124.5, 0.00292879/step, 0.749282 hours remaining, 208.410156 MB of memory in use. ENERGY: 4079000 746.1507 2056.5544 1929.2651 117.0013 -206332.4144 17820.3015 0.0000 0.0000 34270.9532 -149392.1883 299.2968 -183663.1415 -149297.0123 298.8368 -15.2510 20.2725 556160.5009 11.5171 11.8339 PRESSURE: 4079200 -33.4321 -32.3314 -26.8939 -32.3308 -275.901 4.91629 -26.8928 4.91818 -254.69 GPRESSURE: 4079200 47.9454 -52.8271 -52.7319 58.7461 -266.76 -25.7814 -22.5454 34.9822 -244.079 PRESSAVG: 4079200 1.79627 -13.8197 9.97286 -13.8197 -41.2939 -8.39382 9.97289 -8.39396 16.8879 GPRESSAVG: 4079200 0.821204 -14.7763 10.1599 -14.2823 -41.6533 -8.14523 10.4402 -6.28993 17.8903 TIMING: 4079200 CPU: 12125.1, 0.00296504/step Wall: 12125.1, 0.00296504/step, 0.758391 hours remaining, 208.410156 MB of memory in use. ENERGY: 4079200 764.1789 2002.5858 1950.2998 109.1556 -205797.6886 17447.6758 0.0000 0.0000 34201.3902 -149322.4024 298.6892 -183523.7926 -149226.1456 299.0738 -188.0077 -154.2979 558444.3638 -7.5366 -7.6473 PRESSURE: 4079400 181.541 -69.6129 -75.0728 -69.6125 -136.595 -106.241 -75.071 -106.242 -120.068 GPRESSURE: 4079400 199.58 -106.311 -74.8962 -23.7753 -89.794 -72.9476 -67.1407 -92.0619 -92.8744 PRESSAVG: 4079400 26.0962 -26.6139 -6.37831 -26.6139 -42.013 8.75018 -6.37831 8.75015 20.0299 GPRESSAVG: 4079400 26.3645 -26.3669 -6.22209 -29.2378 -41.408 9.44457 -7.6011 7.00653 18.766 TIMING: 4079400 CPU: 12125.6, 0.00295973/step Wall: 12125.6, 0.00295973/step, 0.756868 hours remaining, 208.410156 MB of memory in use. ENERGY: 4079400 755.9314 2065.9424 1970.3961 117.0767 -205864.9358 17761.6092 0.0000 0.0000 34105.6353 -149088.3446 297.8530 -183193.9799 -148985.1128 299.0933 -25.0409 5.6372 557300.9803 1.3710 1.2408 PRESSURE: 4079600 -53.9815 -22.5229 27.8125 -22.5219 -217.047 43.1152 27.8108 43.1173 -31.437 GPRESSURE: 4079600 -15.624 -91.2967 108.689 -49.5087 -206.153 90.2236 19.2055 27.7429 17.7529 PRESSAVG: 4079600 8.59999 -44.4031 -2.19123 -44.403 -75.1177 27.238 -2.19128 27.238 71.3749 GPRESSAVG: 4079600 7.86563 -46.6935 -2.96819 -41.6278 -74.9532 26.9372 -1.06107 27.1442 71.9072 TIMING: 4079600 CPU: 12126.2, 0.00295785/step Wall: 12126.2, 0.00295785/step, 0.756224 hours remaining, 208.410156 MB of memory in use. ENERGY: 4079600 709.9228 2113.2695 1969.8326 110.1878 -205954.9304 17460.4283 0.0000 0.0000 34565.6432 -149025.6462 301.8704 -183591.2894 -148925.6848 299.7262 -100.8218 -68.0081 556387.3077 1.6191 1.6066 PRESSURE: 4079800 -176.354 7.86854 -99.0291 7.8684 -42.981 47.3212 -99.0302 47.3225 -69.5925 GPRESSURE: 4079800 -128.498 89.1617 -119.896 -10.0701 -79.6716 117.698 -83.1751 -35.9802 15.8182 PRESSAVG: 4079800 -19.6459 -71.8529 -1.81107 -71.8529 -20.6966 12.4995 -1.81107 12.4994 13.8265 GPRESSAVG: 4079800 -19.5127 -69.934 -1.09255 -72.8094 -20.5716 13.5313 -1.45419 13.4375 13.562 TIMING: 4079800 CPU: 12126.8, 0.00296308/step Wall: 12126.8, 0.00296308/step, 0.757395 hours remaining, 208.410156 MB of memory in use. ENERGY: 4079800 738.8956 2090.9193 1945.5999 117.6627 -205757.8307 17608.2611 0.0000 0.0000 34170.6070 -149085.8850 298.4204 -183256.4920 -148988.2305 299.6464 -96.3093 -64.1172 556878.7143 -8.8387 -8.8408 PRESSURE: 4080000 -135.938 -24.1117 -47.935 -24.1108 -93.3732 14.9158 -47.9346 14.9153 -22.5312 GPRESSURE: 4080000 -81.8319 29.1695 -79.9178 29.1425 -94.611 -42.3684 -54.1788 -61.3656 13.768 PRESSAVG: 4080000 -29.9439 -27.8111 26.463 -27.811 -55.645 38.6717 26.4629 38.6716 76.0822 GPRESSAVG: 4080000 -29.0929 -27.5272 26.9208 -29.4861 -56.3888 36.2573 25.7368 39.2283 76.2409 TIMING: 4080000 CPU: 12127.4, 0.00295386/step Wall: 12127.4, 0.00295386/step, 0.754876 hours remaining, 208.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4080000 756.4302 2089.8642 1945.1676 118.5623 -205999.5628 17668.1915 0.0000 0.0000 34372.6728 -149048.6743 300.1851 -183421.3471 -148955.0888 299.3955 -83.9473 -54.2250 557963.3545 -3.1689 -3.0803 PRESSURE: 4080200 -186.851 -94.5381 166.129 -94.5389 -142.584 -238.577 166.13 -238.578 19.8522 GPRESSURE: 4080200 -144.118 -107.156 46.6062 -102.626 -119.101 -177.428 111.495 -270.549 61.8944 PRESSAVG: 4080200 35.3284 6.18984 4.9728 6.18977 5.03654 34.0193 4.97274 34.0193 -17.8973 GPRESSAVG: 4080200 35.5971 6.55354 5.65877 5.16422 5.17617 35.6435 6.23566 32.7959 -17.5482 TIMING: 4080200 CPU: 12128, 0.00295164/step Wall: 12128, 0.00295164/step, 0.754143 hours remaining, 208.410156 MB of memory in use. ENERGY: 4080200 716.7002 2065.0239 1953.1545 106.5095 -205855.8977 17629.4378 0.0000 0.0000 34464.0578 -148921.0139 300.9832 -183385.0717 -148815.8580 300.3092 -103.1943 -67.1080 557551.8526 7.4892 7.7417 LDB: ============= START OF LOAD BALANCING ============== 12131.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12131.6 LDB: =============== DONE WITH MIGRATION ================ 12131.6 LDB: ============= START OF LOAD BALANCING ============== 12131.9 LDB: Largest compute 4809 load 0.022267 is 18.8% of average load 0.118275 LDB: Average compute 0.001727 is 1.5% of average load 0.118275 LDB: TIME 12131.9 LOAD: AVG 0.118275 MAX 0.198063 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.594 MB LDB: TIME 12131.9 LOAD: AVG 0.118275 MAX 0.198063 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.594 MB LDB: TIME 12131.9 LOAD: AVG 0.118275 MAX 0.198063 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.594 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12131.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12131.9 PRESSURE: 4080400 74.4258 50.7579 -205.264 50.7568 106.22 5.43184 -205.264 5.43114 75.3283 GPRESSURE: 4080400 118.491 50.1184 -254.917 117.256 97.7323 9.85644 -136.543 52.5291 138.223 PRESSAVG: 4080400 -4.33224 23.4689 18.3644 23.4688 19.5031 10.2781 18.3644 10.2781 -22.1933 GPRESSAVG: 4080400 -4.8058 21.2447 18.9047 24.6854 19.6922 11.4471 16.3017 10.3105 -21.5164 TIMING: 4080400 CPU: 12128.6, 0.0030035/step Wall: 12128.6, 0.0030035/step, 0.767226 hours remaining, 208.085938 MB of memory in use. ENERGY: 4080400 760.1739 2067.5452 1983.1904 104.3441 -205928.9322 17815.3815 0.0000 0.0000 34154.7075 -149043.5897 298.2816 -183198.2972 -148951.1479 300.0933 85.3246 118.1489 556662.0424 -2.3408 -2.2100 PRESSURE: 4080600 -180.588 26.1528 -133.851 26.1527 -332.087 25.4519 -133.851 25.4518 -249.322 GPRESSURE: 4080600 -165.947 -17.0082 -93.0397 -25.3798 -263.676 71.7262 -129.669 -28.9941 -247.535 PRESSAVG: 4080600 -51.9867 10.5406 -14.9108 10.5406 -53.9841 3.42709 -14.9108 3.42712 74.9535 GPRESSAVG: 4080600 -52.9563 10.12 -16.3522 8.90625 -51.996 2.39256 -14.4145 3.25857 73.6267 TIMING: 4080600 CPU: 12129.2, 0.00296219/step Wall: 12129.2, 0.00296219/step, 0.756511 hours remaining, 208.085938 MB of memory in use. ENERGY: 4080600 774.5510 2039.7371 1948.5312 112.0567 -205836.2708 17487.5262 0.0000 0.0000 34205.4091 -149268.4594 298.7243 -183473.8685 -149173.2405 299.7779 -253.9988 -225.7191 560127.0016 -10.3391 -10.4419 PRESSURE: 4080800 124.659 -72.7084 75.3361 -72.7071 -141.897 -58.7368 75.3354 -58.7361 69.7313 GPRESSURE: 4080800 140.621 -56.5203 114.244 -60.4236 -103.429 -70.5299 -46.1756 -35.3404 114.374 PRESSAVG: 4080800 -18.7687 -35.2099 -48.3913 -35.2099 48.7548 33.5818 -48.3912 33.5818 -3.63193 GPRESSAVG: 4080800 -18.6907 -33.5926 -45.9013 -35.0952 48.8856 32.8571 -49.4353 34.3097 -3.73648 TIMING: 4080800 CPU: 12129.8, 0.00295673/step Wall: 12129.8, 0.00295673/step, 0.754952 hours remaining, 208.085938 MB of memory in use. ENERGY: 4080800 803.3736 2053.4134 1978.2046 113.4618 -206451.3511 17908.7464 0.0000 0.0000 34355.9071 -149238.2441 300.0387 -183594.1512 -149137.6570 299.3263 17.4977 50.5222 556620.0119 8.7847 8.8195 PRESSURE: 4081000 -106.739 165.856 -43.0094 165.857 -109.503 -46.5671 -43.0098 -46.5647 50.1184 GPRESSURE: 4081000 5.84378 238.688 -35.2975 129.718 -134.356 -17.104 29.3945 -97.8301 64.5145 PRESSAVG: 4081000 -17.8697 -33.6951 -17.491 -33.6952 -47.3421 -4.40827 -17.4909 -4.40834 17.2229 GPRESSAVG: 4081000 -16.3785 -33.9679 -18.6301 -31.3372 -49.0955 -4.8163 -16.3649 -4.14887 17.4986 TIMING: 4081000 CPU: 12130.4, 0.00295008/step Wall: 12130.4, 0.00295008/step, 0.753089 hours remaining, 208.085938 MB of memory in use. ENERGY: 4081000 767.3693 2082.7740 1961.1941 111.1543 -206688.7714 18099.2564 0.0000 0.0000 34378.5858 -149288.4375 300.2367 -183667.0233 -149191.6815 299.1544 -55.3744 -21.3324 558157.1102 -15.9963 -15.9918 PRESSURE: 4081200 205.929 177.618 -222.55 177.617 20.0116 -1.14611 -222.549 -1.14629 289.224 GPRESSURE: 4081200 219.001 156.618 -295.454 146.287 59.4724 -9.30238 -227.126 16.4354 340.331 PRESSAVG: 4081200 50.3668 31.3452 -47.2234 31.3452 -7.55874 -20.8219 -47.2234 -20.8218 -17.0791 GPRESSAVG: 4081200 50.7713 30.2734 -48.9944 28.0127 -7.13465 -19.6528 -46.4643 -21.1242 -17.7297 TIMING: 4081200 CPU: 12131, 0.00294148/step Wall: 12131, 0.00294148/step, 0.750732 hours remaining, 208.085938 MB of memory in use. ENERGY: 4081200 723.9533 2024.3348 1919.1104 109.3423 -206504.2577 18109.3863 0.0000 0.0000 34261.6750 -149356.4557 299.2157 -183618.1307 -149254.8132 298.7950 171.7217 206.2680 557733.1402 8.5763 8.6357 PRESSURE: 4081400 -37.1255 106.097 -137.636 106.099 88.0981 -175.202 -137.638 -175.202 18.8612 GPRESSURE: 4081400 -24.7807 10.0361 -134.713 198.858 95.325 -112.259 -111.251 -193.536 86.6727 PRESSAVG: 4081400 -35.4206 7.17267 -0.314656 7.1727 55.3804 12.8438 -0.314614 12.8438 -6.09957 GPRESSAVG: 4081400 -36.5215 8.10713 -0.0542526 8.15507 55.7573 11.883 -0.8821 13.4909 -5.77566 TIMING: 4081400 CPU: 12131.6, 0.00293334/step Wall: 12131.6, 0.00293334/step, 0.74849 hours remaining, 208.085938 MB of memory in use. ENERGY: 4081400 740.6854 2139.7125 1925.2034 114.6223 -206448.0778 17926.0206 0.0000 0.0000 34397.8866 -149203.9470 300.4053 -183601.8336 -149101.2626 299.1297 23.2779 52.4057 558601.4681 4.6201 4.4867 PRESSURE: 4081600 -46.5635 92.7051 -40.6585 92.7063 -174.608 -51.7122 -40.6589 -51.7145 -27.7583 GPRESSURE: 4081600 -4.54467 81.087 -15.2553 21.6603 -202.391 -5.42335 -79.6997 -74.5221 64.6232 PRESSAVG: 4081600 9.6508 32.272 4.85464 32.272 -37.2113 -16.9904 4.8546 -16.9904 22.1555 GPRESSAVG: 4081600 9.69329 30.4941 7.30521 34.3183 -37.8923 -17.5362 5.00346 -16.576 22.733 TIMING: 4081600 CPU: 12132.1, 0.00292021/step Wall: 12132.1, 0.00292021/step, 0.744979 hours remaining, 208.085938 MB of memory in use. ENERGY: 4081600 726.4141 2125.4258 1934.2901 122.7778 -206243.3014 17826.0746 0.0000 0.0000 34458.2704 -149050.0487 300.9326 -183508.3190 -148955.7955 299.8639 -82.9765 -47.4374 559258.7446 -1.8017 -1.8220 PRESSURE: 4081800 -163.299 110.898 -34.6942 110.9 -124.23 -23.303 -34.6948 -23.3014 13.4713 GPRESSURE: 4081800 -142.613 116.541 -176.993 137.353 -47.5725 -62.7062 71.2875 35.5389 6.46755 PRESSAVG: 4081800 -35.7915 40.1387 23.3125 40.1386 9.71779 22.4492 23.3125 22.4491 28.5883 GPRESSAVG: 4081800 -36.6579 42.9674 19.6532 37.9606 9.78745 23.1983 23.6832 21.6482 28.6847 TIMING: 4081800 CPU: 12132.7, 0.00294716/step Wall: 12132.7, 0.00294715/step, 0.751688 hours remaining, 208.085938 MB of memory in use. ENERGY: 4081800 818.1372 2126.5600 1919.2773 106.9086 -205952.4314 17793.8059 0.0000 0.0000 34108.4573 -149079.2850 297.8776 -183187.7423 -148982.1088 299.8618 -91.3528 -61.2393 558710.6529 0.8382 0.6047 PRESSURE: 4082000 -10.951 101.968 47.8155 101.968 379.718 5.46391 47.817 5.46464 -24.178 GPRESSURE: 4082000 41.5187 176.448 21.4464 67.922 436.848 -77.4844 105.038 -27.603 -36.4556 PRESSAVG: 4082000 -2.06277 36.658 8.75862 36.6581 -7.38781 19.4936 8.7586 19.4934 22.1137 GPRESSAVG: 4082000 -1.21432 36.3036 9.00469 38.1975 -7.06365 20.247 10.8245 17.9304 20.6124 TIMING: 4082000 CPU: 12133.3, 0.00297365/step Wall: 12133.3, 0.00297365/step, 0.758281 hours remaining, 208.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4082000 739.7292 2115.1882 1948.8042 117.6552 -206515.5135 18164.3169 0.0000 0.0000 34364.0689 -149065.7507 300.1100 -183429.8197 -148970.9070 299.5115 114.8629 147.3036 558816.7335 4.2210 4.1115 PRESSURE: 4082200 47.4746 1.34969 -122.103 1.34945 80.7276 175.812 -122.103 175.811 256.015 GPRESSURE: 4082200 107.135 71.9364 -19.1253 15.7662 65.2015 70.3473 -192.996 199.676 310.166 PRESSAVG: 4082200 -43.4529 -21.7741 14.3331 -21.7741 38.8945 50.3682 14.3331 50.368 15.3374 GPRESSAVG: 4082200 -43.9482 -22.342 16.1943 -20.8672 38.005 49.1282 10.9934 49.1181 16.4707 TIMING: 4082200 CPU: 12133.9, 0.00297717/step Wall: 12133.9, 0.00297716/step, 0.759012 hours remaining, 208.085938 MB of memory in use. ENERGY: 4082200 767.0959 2077.0076 1958.6228 131.0956 -206146.7216 17960.4526 0.0000 0.0000 34050.1644 -149202.2828 297.3686 -183252.4472 -149109.2620 300.4401 128.0725 160.8341 557454.4025 3.5930 3.5092 PRESSURE: 4082400 77.6969 21.6527 7.28825 21.6517 20.1009 -2.3428 7.28687 -2.34477 64.781 GPRESSURE: 4082400 110.866 -46.6798 -63.689 76.4894 73.8413 21.685 -44.8874 -82.5294 68.1101 PRESSAVG: 4082400 6.03953 -5.24603 9.27896 -5.24597 1.4871 7.92427 9.27885 7.92443 8.84311 GPRESSAVG: 4082400 5.65059 -5.572 7.8864 -6.88174 2.53646 7.45096 11.1348 11.7052 7.92857 TIMING: 4082400 CPU: 12134.5, 0.00296317/step Wall: 12134.5, 0.00296317/step, 0.75528 hours remaining, 208.085938 MB of memory in use. ENERGY: 4082400 717.6697 2101.5853 1958.2670 113.5034 -206205.5400 17912.3527 0.0000 0.0000 34187.5567 -149214.6052 298.5684 -183402.1619 -149119.0688 299.5194 54.1929 84.2726 558960.7919 5.4566 5.3719 PRESSURE: 4082600 -207.171 45.588 -25.7355 45.5862 4.14568 101.141 -25.7355 101.141 -117.917 GPRESSURE: 4082600 -147.843 -57.2994 38.2883 -32.3479 43.9535 126.992 -118.507 -18.344 -110.138 PRESSAVG: 4082600 -2.49783 -50.9348 31.4052 -50.9348 33.5304 23.3685 31.4052 23.3685 -13.4901 GPRESSAVG: 4082600 -3.1874 -52.8864 31.1668 -51.2758 33.4167 24.8701 31.3399 22.6014 -12.6968 TIMING: 4082600 CPU: 12135.1, 0.0029538/step Wall: 12135.1, 0.0029538/step, 0.752727 hours remaining, 208.085938 MB of memory in use. ENERGY: 4082600 737.5434 2055.4386 1936.6013 112.8588 -206206.3762 17725.9816 0.0000 0.0000 34194.7887 -149443.1637 298.6316 -183637.9524 -149347.1603 298.6928 -106.9805 -71.3426 558359.6048 5.8475 5.8442 PRESSURE: 4082800 191.028 -15.8008 194.533 -15.8008 271.68 44.0494 194.532 44.0492 -122.148 GPRESSURE: 4082800 168.653 86.7922 206.935 -70.8191 327.033 48.2841 173.552 32.9756 -60.1408 PRESSAVG: 4082800 70.1643 4.73586 37.5341 4.73588 10.6153 46.6822 37.5342 46.6822 -29.5638 GPRESSAVG: 4082800 71.0602 6.4283 38.3998 3.79866 11.12 46.8351 36.9397 47.62 -30.8404 TIMING: 4082800 CPU: 12135.7, 0.00295942/step Wall: 12135.7, 0.00295942/step, 0.753994 hours remaining, 208.085938 MB of memory in use. ENERGY: 4082800 768.7053 2036.1737 1938.6162 121.4096 -206519.2993 17902.0418 0.0000 0.0000 34403.6851 -149348.6677 300.4559 -183752.3528 -149251.0343 298.8750 113.5202 145.1816 556790.5575 17.0719 17.1133 PRESSURE: 4083000 318.147 59.4241 28.4366 59.4236 44.2519 82.7395 28.4369 82.7406 7.76446 GPRESSURE: 4083000 308.759 50.5808 -18.937 19.6166 104.044 88.525 81.7801 71.9159 59.2944 PRESSAVG: 4083000 9.2466 45.3546 70.1784 45.3545 12.0072 -7.39615 70.1784 -7.39604 -26.123 GPRESSAVG: 4083000 10.3251 45.3779 68.6253 44.9841 11.3239 -7.42417 70.7403 -8.32309 -26.3331 TIMING: 4083000 CPU: 12136.3, 0.00294801/step Wall: 12136.3, 0.00294801/step, 0.750923 hours remaining, 208.085938 MB of memory in use. ENERGY: 4083000 766.2120 2029.0613 1933.4677 114.9053 -206569.7781 18126.2333 0.0000 0.0000 34155.8056 -149444.0929 298.2911 -183599.8985 -149345.1670 298.5487 123.3877 157.3656 557487.8230 -1.6231 -1.5613 PRESSURE: 4083200 183.944 32.3019 46.5645 32.3007 -18.6078 62.4142 46.5649 62.4146 -135.016 GPRESSURE: 4083200 248.37 89.1232 75.3134 -44.562 20.0182 68.6558 41.2744 65.6679 -149.126 PRESSAVG: 4083200 54.3167 13.0161 24.4137 13.0161 -37.7454 61.7753 24.4137 61.7753 -23.7485 GPRESSAVG: 4083200 52.7917 11.1675 27.665 15.2603 -37.5891 62.3975 22.964 62.7272 -22.3606 TIMING: 4083200 CPU: 12136.9, 0.00295287/step Wall: 12136.9, 0.00295287/step, 0.751999 hours remaining, 208.085938 MB of memory in use. ENERGY: 4083200 746.0137 2111.9607 1951.7255 115.4933 -206355.6509 17746.2476 0.0000 0.0000 34354.6852 -149329.5248 300.0280 -183684.2100 -149235.7836 298.6891 10.1065 39.7542 557137.4296 -2.3924 -2.3860 PRESSURE: 4083400 136.142 -2.10728 149.005 -2.10849 100.3 -24.1813 149.005 -24.1803 83.0703 GPRESSURE: 4083400 179.545 24.0297 137.306 -41.5736 142.107 -18.9673 103.707 -60.521 106.305 PRESSAVG: 4083400 62.2822 27.7263 14.933 27.7263 30.6022 10.1107 14.9329 10.1107 -26.9961 GPRESSAVG: 4083400 63.1443 28.1051 11.8166 28.4245 30.4478 9.47714 14.8686 10.2571 -27.3208 TIMING: 4083400 CPU: 12137.5, 0.00295814/step Wall: 12137.5, 0.00295814/step, 0.753175 hours remaining, 208.085938 MB of memory in use. ENERGY: 4083400 741.6487 2086.1194 1923.8751 116.8937 -206617.5436 18155.2426 0.0000 0.0000 34280.9361 -149312.8279 299.3839 -183593.7640 -149220.3084 299.2029 106.5042 142.6523 557347.8809 21.9628 22.0904 PRESSURE: 4083600 -167.526 41.8986 -0.133876 41.8982 -109.49 -29.6235 -0.134115 -29.6244 -131.928 GPRESSURE: 4083600 -182.506 28.971 23.1788 123.294 -53.1114 79.3664 42.883 -84.7504 -87.2462 PRESSAVG: 4083600 -8.47459 -7.83704 9.69703 -7.83709 18.855 -23.4331 9.69698 -23.4331 19.9179 GPRESSAVG: 4083600 -8.11533 -4.71634 11.5927 -9.2562 19.0793 -24.274 10.8862 -24.504 19.3078 TIMING: 4083600 CPU: 12138.1, 0.00296475/step Wall: 12138.1, 0.00296475/step, 0.754693 hours remaining, 208.085938 MB of memory in use. ENERGY: 4083600 741.9016 2095.1432 1945.5489 113.2038 -205604.4165 17553.5253 0.0000 0.0000 33932.9101 -149222.1837 296.3445 -183155.0938 -149126.0653 298.2274 -136.3147 -107.6212 558236.1888 10.0994 10.0906 PRESSURE: 4083800 -136.707 29.672 143.158 29.672 155.741 22.522 143.159 22.5234 51.5582 GPRESSURE: 4083800 -104.7 -48.8327 112.11 95.7666 174.221 13.6428 87.9015 37.9027 80.6566 PRESSAVG: 4083800 -12.219 63.2149 11.2948 63.2149 19.1894 -42.3986 11.2947 -42.3986 -50.151 GPRESSAVG: 4083800 -12.136 62.4682 10.5873 63.3497 18.6688 -43.0147 10.9661 -41.6858 -49.8452 TIMING: 4083800 CPU: 12138.7, 0.00292459/step Wall: 12138.7, 0.0029246/step, 0.74431 hours remaining, 208.085938 MB of memory in use. ENERGY: 4083800 758.2904 2091.2302 1935.6449 110.4687 -206177.4864 17779.8854 0.0000 0.0000 34387.3025 -149114.6644 300.3129 -183501.9669 -149011.9332 299.8086 23.5307 50.0590 557484.3678 -14.3936 -14.4375 PRESSURE: 4084000 10.3173 -94.5068 -9.9372 -94.5065 -50.7997 -164.671 -9.93777 -164.672 52.797 GPRESSURE: 4084000 36.2048 -96.9753 20.5078 -177.005 0.718671 -165.685 -22.115 -155.829 78.0463 PRESSAVG: 4084000 -41.7167 21.2585 1.27201 21.2585 -3.48959 20.501 1.27192 20.501 10.7188 GPRESSAVG: 4084000 -42.1134 23.1461 0.573157 20.1151 -2.6606 20.7629 0.839471 20.4279 10.5616 TIMING: 4084000 CPU: 12139.2, 0.00293516/step Wall: 12139.2, 0.00293516/step, 0.746836 hours remaining, 208.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4084000 764.8983 2063.4323 1949.5026 110.6307 -206147.3167 17777.5181 0.0000 0.0000 34234.6058 -149246.7288 298.9793 -183481.3346 -149149.1750 299.5812 4.1049 38.3233 556662.6678 -11.4958 -11.4041 PRESSURE: 4084200 86.1476 88.1984 -76.4683 88.1986 144.087 80.5077 -76.468 80.5075 -153.957 GPRESSURE: 4084200 141.379 80.0967 -156.632 -8.64828 158.472 102.365 -120.3 123.44 -128.188 PRESSAVG: 4084200 -11.8106 -16.9441 -20.7811 -16.9441 26.5046 -26.9889 -20.7812 -26.9889 30.8757 GPRESSAVG: 4084200 -12.027 -19.0261 -20.0799 -14.6778 26.9102 -26.5315 -22.1617 -26.8971 30.59 TIMING: 4084200 CPU: 12139.8, 0.0029541/step Wall: 12139.8, 0.0029541/step, 0.751491 hours remaining, 208.085938 MB of memory in use. ENERGY: 4084200 770.7385 2034.4591 1946.5244 112.6874 -206382.7840 17887.3901 0.0000 0.0000 34284.4231 -149346.5614 299.4144 -183630.9845 -149254.4403 298.9867 25.4256 57.2210 556336.5432 15.1899 15.1577 LDB: ============= START OF LOAD BALANCING ============== 12143.4 LDB: ============== END OF LOAD BALANCING =============== 12143.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12143.4 LDB: ============= START OF LOAD BALANCING ============== 12143.7 LDB: Largest compute 4809 load 0.022460 is 19.0% of average load 0.118277 LDB: Average compute 0.001721 is 1.5% of average load 0.118277 LDB: TIME 12143.7 LOAD: AVG 0.118277 MAX 0.197102 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.965 MB LDB: TIME 12143.7 LOAD: AVG 0.118277 MAX 0.197102 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.969 MB LDB: TIME 12143.7 LOAD: AVG 0.118277 MAX 0.197102 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12143.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12143.7 PRESSURE: 4084400 -105.423 -126.47 134.455 -126.47 72.2706 -0.718822 134.455 -0.717501 82.176 GPRESSURE: 4084400 -43.7289 -90.9597 127.636 -147.721 109.858 -43.7648 77.5134 -66.0456 74.6598 PRESSAVG: 4084400 3.75615 -20.5051 -1.72329 -20.5051 42.9077 7.09095 -1.72327 7.09076 -35.7466 GPRESSAVG: 4084400 3.5639 -19.2068 -1.5559 -21.5371 41.2409 5.41447 -2.1355 6.36216 -34.4517 TIMING: 4084400 CPU: 12140.4, 0.00301954/step Wall: 12140.4, 0.00301954/step, 0.76797 hours remaining, 206.742188 MB of memory in use. ENERGY: 4084400 723.9270 2141.8664 1929.3383 121.9073 -206130.7948 17777.8157 0.0000 0.0000 34102.9636 -149332.9764 297.8297 -183435.9401 -149239.9324 298.4176 16.3414 46.9296 557375.4456 3.6391 3.4510 PRESSURE: 4084600 -78.1483 -5.46031 -251.084 -5.46074 40.0143 -2.04156 -251.085 -2.03999 68.074 GPRESSURE: 4084600 23.2557 -43.7673 -252.093 52.386 46.9852 82.428 -324.794 -119.685 66.8683 PRESSAVG: 4084600 -35.8455 1.23967 -4.03571 1.23961 -9.72511 34.5521 -4.03573 34.5521 37.4691 GPRESSAVG: 4084600 -35.9694 0.830558 -5.98864 1.50461 -8.54967 34.3652 -3.06718 36.6158 36.6089 TIMING: 4084600 CPU: 12141, 0.00293063/step Wall: 12141, 0.00293063/step, 0.745195 hours remaining, 206.742188 MB of memory in use. ENERGY: 4084600 729.4200 2027.8823 1937.8431 121.4958 -206524.0776 17957.6234 0.0000 0.0000 34193.1227 -149556.6902 298.6170 -183749.8130 -149460.3251 298.2234 9.9800 45.7031 557601.6632 -2.7005 -2.6367 PRESSURE: 4084800 -255.912 95.5793 73.6452 95.58 -280.495 58.2864 73.6451 58.2871 -97.7522 GPRESSURE: 4084800 -180.611 34.1761 -8.52391 131.579 -274.156 136.036 140.145 59.0581 -92.1509 PRESSAVG: 4084800 36.5087 -5.72785 -30.5795 -5.72779 -34.1503 32.9832 -30.5794 32.9831 44.7176 GPRESSAVG: 4084800 36.9095 -7.25585 -29.8764 -4.38556 -35.2535 34.6305 -32.5164 32.0513 44.6096 TIMING: 4084800 CPU: 12141.6, 0.00291785/step Wall: 12141.6, 0.00291785/step, 0.741782 hours remaining, 206.742188 MB of memory in use. ENERGY: 4084800 719.0836 2128.3218 1905.5942 117.3234 -206091.8124 17426.5388 0.0000 0.0000 34225.2386 -149569.7119 298.8975 -183794.9505 -149483.8539 298.9936 -211.3864 -182.3058 557067.2053 15.6920 15.4219 PRESSURE: 4085000 -182.462 -109.483 112.43 -109.482 -436.54 35.2572 112.429 35.2572 -74.2161 GPRESSURE: 4085000 -155.178 -231.602 12.0875 -76.7324 -404.843 -45.74 149.139 33.7803 -39.0309 PRESSAVG: 4085000 8.3056 -12.7675 5.19423 -12.7675 -46.4994 4.69973 5.19423 4.6996 -2.45599 GPRESSAVG: 4085000 8.67313 -12.827 5.65862 -12.9317 -47.5869 2.5688 7.85459 5.08182 -2.3338 TIMING: 4085000 CPU: 12142.2, 0.00292915/step Wall: 12142.2, 0.00292915/step, 0.744493 hours remaining, 206.742188 MB of memory in use. ENERGY: 4085000 744.4956 2045.4790 1946.4718 113.6336 -205954.9663 17315.8121 0.0000 0.0000 34143.0774 -149645.9968 298.1800 -183789.0742 -149558.9376 298.0078 -231.0727 -199.6840 555885.8295 -13.5499 -13.7492 PRESSURE: 4085200 -63.1944 -14.0424 83.6276 -14.0431 -121.425 -132.559 83.6277 -132.56 -217.143 GPRESSURE: 4085200 -12.0595 -15.8678 91.0106 -4.05385 -95.492 -55.668 24.0489 -115.527 -204.431 PRESSAVG: 4085200 43.2024 -4.2381 -9.36296 -4.23823 -21.4938 -42.6946 -9.36283 -42.6947 -36.6537 GPRESSAVG: 4085200 41.3923 -3.84354 -10.2713 -4.86255 -18.8759 -40.7738 -11.6289 -43.2689 -37.6706 TIMING: 4085200 CPU: 12142.8, 0.00294682/step Wall: 12142.8, 0.00294682/step, 0.74882 hours remaining, 206.742188 MB of memory in use. ENERGY: 4085200 804.9948 2052.0479 1919.8657 107.7224 -206560.1835 17747.8765 0.0000 0.0000 34316.0171 -149611.6591 299.6903 -183927.6762 -149515.5180 298.3301 -133.9207 -103.9941 557342.4279 -4.9817 -5.0514 PRESSURE: 4085400 -13.1763 229.367 -34.608 229.368 -76.0286 -27.4248 -34.608 -27.4239 -107.236 GPRESSURE: 4085400 31.7005 213.789 -75.5871 172.862 -72.0297 27.7968 76.7596 16.0843 -68.1337 PRESSAVG: 4085400 -2.49175 -16.4529 -22.2191 -16.4528 42.7861 34.8886 -22.2191 34.8886 -37.992 GPRESSAVG: 4085400 -2.28747 -16.6573 -22.7538 -15.8833 40.9777 35.1823 -20.9188 32.7965 -36.9107 TIMING: 4085400 CPU: 12143.4, 0.00295286/step Wall: 12143.4, 0.00295286/step, 0.750189 hours remaining, 206.742188 MB of memory in use. ENERGY: 4085400 760.1543 2073.7448 1939.1481 106.8974 -206283.5401 17783.5015 0.0000 0.0000 34051.7717 -149568.3222 297.3826 -183620.0939 -149475.8180 298.4472 -65.4804 -36.1543 558087.7225 0.7674 0.5932 PRESSURE: 4085600 -65.5435 48.7354 -33.4837 48.7351 -38.3171 101.546 -33.4844 101.545 -20.9187 GPRESSURE: 4085600 -36.5787 3.6453 -17.4409 55.8379 37.1529 116.575 -30.0053 72.4367 -13.8239 PRESSAVG: 4085600 -44.4204 -41.3159 -16.4791 -41.3158 44.9085 39.2788 -16.4792 39.2787 10.1995 GPRESSAVG: 4085600 -44.2488 -40.6099 -16.5588 -42.3391 46.5298 38.188 -15.6532 41.7196 8.18301 TIMING: 4085600 CPU: 12144, 0.00292845/step Wall: 12144, 0.00292845/step, 0.743826 hours remaining, 206.742188 MB of memory in use. ENERGY: 4085600 706.5125 2048.8076 1943.5331 119.5995 -206163.7839 17697.7165 0.0000 0.0000 34097.8252 -149549.7894 297.7848 -183647.6147 -149454.6889 298.7289 -41.5931 -4.4166 557741.9349 3.5625 3.4880 PRESSURE: 4085800 -205.109 68.0354 -141.473 68.0351 -561.317 44.1618 -141.472 44.1624 -102.879 GPRESSURE: 4085800 -224.664 19.3772 -121.902 105.743 -473.159 45.2835 -127.515 65.9909 -71.4907 PRESSAVG: 4085800 8.85958 48.3274 40.6754 48.3276 8.66736 55.0872 40.6754 55.0872 -1.7167 GPRESSAVG: 4085800 8.63535 47.9376 40.1357 48.9119 7.20514 57.1137 40.6301 53.5526 -0.0773389 TIMING: 4085800 CPU: 12144.5, 0.00294742/step Wall: 12144.5, 0.00294742/step, 0.748481 hours remaining, 206.742188 MB of memory in use. ENERGY: 4085800 773.2008 2086.1532 1952.3004 115.2101 -206448.7320 17664.7026 0.0000 0.0000 34303.4465 -149553.7185 299.5805 -183857.1650 -149453.4386 298.2984 -289.7684 -256.4379 557981.3251 5.2701 5.2544 PRESSURE: 4086000 -90.9174 -51.2423 148.662 -51.2414 -123.512 73.7279 148.662 73.7277 -230.618 GPRESSURE: 4086000 -49.125 -103.636 181.23 -89.5438 -55.9988 11.6413 149.973 50.6499 -241.796 PRESSAVG: 4086000 55.9297 40.6478 -5.15905 40.6477 -18.2826 29.1527 -5.15895 29.1528 -64.6752 GPRESSAVG: 4086000 56.2913 40.9999 -2.8879 41.9259 -17.2891 25.7235 -7.19043 32.1863 -66.1993 TIMING: 4086000 CPU: 12145.1, 0.00296056/step Wall: 12145.1, 0.00296056/step, 0.751654 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4086000 776.3088 2110.3058 1921.5201 118.8888 -206677.9362 17713.8447 0.0000 0.0000 34333.6839 -149703.3841 299.8446 -184037.0680 -149603.8139 298.4055 -148.3489 -115.6399 556572.6466 -9.0094 -9.0657 PRESSURE: 4086200 -6.81911 26.4595 -105.318 26.4596 -139.761 -44.096 -105.317 -44.0961 -126.219 GPRESSURE: 4086200 19.0932 26.9913 -98.3638 40.6605 -110.445 -52.8656 -113.037 -81.3025 -92.9588 PRESSAVG: 4086200 106.711 -5.47648 -7.23703 -5.47656 -72.9912 5.83078 -7.23694 5.83071 -36.6172 GPRESSAVG: 4086200 107.104 -7.76599 -6.86924 -3.78548 -73.261 8.3239 -6.76366 3.63006 -36.6742 TIMING: 4086200 CPU: 12145.7, 0.0029606/step Wall: 12145.7, 0.0029606/step, 0.751499 hours remaining, 206.742188 MB of memory in use. ENERGY: 4086200 725.0227 2019.4478 1913.6940 121.1906 -206458.7473 17816.8398 0.0000 0.0000 34083.2282 -149779.3243 297.6573 -183862.5524 -149687.6086 297.9056 -90.9328 -61.4369 557685.4008 -0.9658 -0.9437 PRESSURE: 4086400 -70.6348 14.5444 77.4474 14.5447 -68.5348 -137.005 77.4479 -137.006 318.377 GPRESSURE: 4086400 -48.0068 28.12 127.894 14.5865 -22.6478 -120.748 107.043 -103.871 343.596 PRESSAVG: 4086400 1.15108 -40.3247 -23.9052 -40.3247 -40.7576 -24.9205 -23.9053 -24.9206 36.5283 GPRESSAVG: 4086400 0.22456 -40.9557 -22.6247 -41.371 -40.805 -25.0797 -25.3585 -24.2436 37.8539 TIMING: 4086400 CPU: 12146.3, 0.0029554/step Wall: 12146.3, 0.0029554/step, 0.750015 hours remaining, 206.742188 MB of memory in use. ENERGY: 4086400 733.6664 2062.7377 1928.5558 119.4854 -206715.4566 18028.9966 0.0000 0.0000 34270.3104 -149571.7043 299.2911 -183842.0146 -149470.7139 298.2262 59.7357 90.9805 557228.4377 -1.0261 -0.9088 PRESSURE: 4086600 258.301 17.2381 50.2174 17.2364 49.3891 71.1534 50.216 71.1514 -139.777 GPRESSURE: 4086600 284.403 28.8333 52.9579 29.8349 66.2654 47.2814 164.316 44.9519 -86.4688 PRESSAVG: 4086600 -10.892 -26.8789 -2.58481 -26.879 10.2245 36.5115 -2.58481 36.5114 16.818 GPRESSAVG: 4086600 -9.37146 -25.0487 -3.9759 -27.6424 9.84464 37.3979 2.15876 36.0774 15.7374 TIMING: 4086600 CPU: 12146.9, 0.00295098/step Wall: 12146.9, 0.00295098/step, 0.748729 hours remaining, 206.742188 MB of memory in use. ENERGY: 4086600 750.1703 2081.8547 1913.4998 113.1477 -206196.5673 17850.0417 0.0000 0.0000 33944.9950 -149542.8581 296.4501 -183487.8531 -149452.3359 298.1822 55.9710 88.0666 556511.4689 5.3835 5.4035 PRESSURE: 4086800 -261.493 224.869 180.833 224.868 -61.8275 -105.914 180.832 -105.914 -191.876 GPRESSURE: 4086800 -224.172 188.387 127.34 198.546 -65.7058 -103.067 191.921 -127.844 -119.457 PRESSAVG: 4086800 16.7158 49.0612 12.642 49.0613 -52.0163 21.7248 12.642 21.7246 14.4396 GPRESSAVG: 4086800 15.8758 48.2669 10.6785 48.7758 -52.1324 20.6817 11.7142 21.523 16.1643 TIMING: 4086800 CPU: 12147.5, 0.00296487/step Wall: 12147.5, 0.00296487/step, 0.75209 hours remaining, 206.742188 MB of memory in use. ENERGY: 4086800 771.1794 2070.9513 1957.8891 112.5807 -206381.0754 17677.4519 0.0000 0.0000 34178.4137 -149612.6093 298.4886 -183791.0231 -149517.9437 297.4752 -171.7321 -136.4449 557554.7196 -6.9536 -6.6974 PRESSURE: 4087000 -19.6468 -215.96 126.31 -215.959 -44.1342 -22.8929 126.311 -22.8924 83.1372 GPRESSURE: 4087000 67.7111 -233.377 132.708 -210.854 -7.20498 -2.17725 86.581 -11.3041 43.5717 PRESSAVG: 4087000 -46.1958 0.105512 20.6245 0.105568 19.9348 -3.60402 20.6245 -3.60397 35.9726 GPRESSAVG: 4087000 -45.1618 0.591367 24.1617 1.2338 19.8839 -3.56134 18.1194 -3.72179 34.4227 TIMING: 4087000 CPU: 12148.1, 0.00296474/step Wall: 12148.1, 0.00296474/step, 0.751892 hours remaining, 206.742188 MB of memory in use. ENERGY: 4087000 735.0261 2056.5903 1958.8594 106.4153 -206208.3546 17754.5910 0.0000 0.0000 33912.9178 -149683.9547 296.1699 -183596.8725 -149591.0515 297.6272 6.4521 34.6926 557383.1241 3.2372 3.0483 PRESSURE: 4087200 -33.1943 -54.366 159.897 -54.3649 -14.5722 23.4873 159.898 23.4867 112.229 GPRESSURE: 4087200 -22.1667 -106.771 116.752 -50.6742 -15.2726 33.8729 193.784 -7.03042 201.733 PRESSAVG: 4087200 -20.483 10.9338 -6.00851 10.9338 33.4941 21.8496 -6.00856 21.8496 14.5682 GPRESSAVG: 4087200 -21.6008 11.9819 -7.91208 10.2243 34.2533 22.1428 -2.74232 22.5954 15.1022 TIMING: 4087200 CPU: 12148.7, 0.00293282/step Wall: 12148.7, 0.00293282/step, 0.743633 hours remaining, 206.742188 MB of memory in use. ENERGY: 4087200 752.4493 2165.3553 1943.2213 115.2961 -206630.5571 17907.8972 0.0000 0.0000 34045.4452 -149700.8928 297.3273 -183746.3380 -149600.2290 297.7041 21.4873 54.7647 555781.1852 9.1931 9.2515 PRESSURE: 4087400 -9.35066 47.4808 180.433 47.4804 -126.905 75.2536 180.434 75.2532 10.481 GPRESSURE: 4087400 44.0562 162.927 249.984 -9.00422 -86.1446 60.0107 120.792 46.1547 18.4917 PRESSAVG: 4087400 15.5972 -0.135151 10.3038 -0.135113 3.92149 -9.53924 10.3039 -9.53904 -16.9184 GPRESSAVG: 4087400 15.5821 -0.165321 10.6505 0.146539 3.88954 -9.51281 7.83948 -9.30526 -16.9069 TIMING: 4087400 CPU: 12149.3, 0.00294951/step Wall: 12149.3, 0.00294951/step, 0.7477 hours remaining, 206.742188 MB of memory in use. ENERGY: 4087400 747.2299 2061.1812 1954.0285 98.7747 -206591.5731 17806.1220 0.0000 0.0000 34311.6455 -149612.5913 299.6521 -183924.2368 -149515.1347 297.8153 -41.9250 -7.8656 556762.6281 0.8668 0.8549 PRESSURE: 4087600 434.94 129.134 62.0515 129.133 275.365 -80.9857 62.0515 -80.9864 -0.704935 GPRESSURE: 4087600 418.872 183.931 1.9597 104.898 333.41 -5.78573 18.4779 -2.03325 48.8791 PRESSAVG: 4087600 -1.71174 49.2641 6.30965 49.2641 35.2418 4.17069 6.30967 4.17065 25.0023 GPRESSAVG: 4087600 -1.11065 47.8574 5.33692 49.1705 33.4384 4.78257 7.05265 4.43487 25.8954 TIMING: 4087600 CPU: 12149.9, 0.00292813/step Wall: 12149.9, 0.00292813/step, 0.742119 hours remaining, 206.742188 MB of memory in use. ENERGY: 4087600 740.6220 2077.9958 1914.2508 111.7909 -206917.2901 18322.8852 0.0000 0.0000 34124.5235 -149625.2218 298.0180 -183749.7453 -149525.5723 298.5821 236.5335 267.0540 556168.1844 19.5108 19.4077 PRESSURE: 4087800 96.1214 -3.58318 -115.576 -3.58265 212.718 -76.3552 -115.576 -76.356 -133.286 GPRESSURE: 4087800 94.7931 31.0673 -139.717 46.4801 266.307 -78.6238 15.7397 -46.0897 -84.5943 PRESSAVG: 4087800 -12.618 45.1079 37.1154 45.1079 -36.1757 -12.9536 37.1153 -12.9535 -12.356 GPRESSAVG: 4087800 -11.6023 46.1634 38.2307 44.1637 -35.7286 -13.8383 36.9634 -14.0053 -13.7379 TIMING: 4087800 CPU: 12150.4, 0.002954/step Wall: 12150.4, 0.002954/step, 0.74851 hours remaining, 206.742188 MB of memory in use. ENERGY: 4087800 735.5058 2086.1227 1917.1650 104.8515 -206617.7318 17911.1884 0.0000 0.0000 34172.5238 -149690.3746 298.4371 -183862.8984 -149595.2291 298.5426 58.5176 92.1688 556715.2350 -20.3832 -20.3562 PRESSURE: 4088000 -153.156 -107.812 52.9329 -107.811 -221.886 99.7573 52.9344 99.7561 -166.777 GPRESSURE: 4088000 -87.705 -51.8858 23.1648 -197.975 -199.957 147.94 107.462 102.113 -151.019 PRESSAVG: 4088000 -33.9138 22.8092 -15.07 22.8092 -5.92768 8.88504 -15.0699 8.88502 7.86243 GPRESSAVG: 4088000 -34.1705 21.9573 -16.7198 23.8673 -4.8232 10.4441 -15.071 8.07409 7.01754 TIMING: 4088000 CPU: 12151, 0.00295824/step Wall: 12151, 0.00295824/step, 0.749422 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4088000 750.4246 2110.6886 1913.9128 107.5068 -206302.1986 17663.0144 0.0000 0.0000 34064.6723 -149691.9791 297.4953 -183756.6514 -149589.6085 298.2285 -180.6061 -146.2270 557097.6253 -10.6597 -10.6587 PRESSURE: 4088200 123.81 -188.236 23.2787 -188.236 -49.0835 87.4238 23.2803 87.4257 -11.2391 GPRESSURE: 4088200 187.164 -147.141 -38.2531 -230.905 -46.9755 61.231 -24.3212 47.7163 25.0291 PRESSAVG: 4088200 -3.35327 27.7498 -33.2565 27.7499 40.5109 23.5967 -33.2566 23.5967 -58.7915 GPRESSAVG: 4088200 -2.22514 27.5199 -33.0974 28.2254 38.8157 23.6288 -33.2703 24.6878 -58.1856 TIMING: 4088200 CPU: 12151.6, 0.00298522/step Wall: 12151.6, 0.00298522/step, 0.756089 hours remaining, 206.742188 MB of memory in use. ENERGY: 4088200 745.8210 2134.9385 1918.9727 102.5631 -206483.3418 17908.9306 0.0000 0.0000 34021.0412 -149651.0747 297.1142 -183672.1159 -149554.7592 298.3670 21.1624 55.0726 556503.2312 -7.2113 -7.1983 LDB: ============= START OF LOAD BALANCING ============== 12155.2 LDB: ============== END OF LOAD BALANCING =============== 12155.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12155.2 LDB: ============= START OF LOAD BALANCING ============== 12155.5 LDB: Largest compute 4801 load 0.021388 is 18.1% of average load 0.118354 LDB: Average compute 0.001729 is 1.5% of average load 0.118354 LDB: TIME 12155.5 LOAD: AVG 0.118354 MAX 0.197096 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.023 MB LDB: TIME 12155.5 LOAD: AVG 0.118354 MAX 0.197096 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.223 MB LDB: TIME 12155.5 LOAD: AVG 0.118354 MAX 0.197096 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12155.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12155.5 PRESSURE: 4088400 127.763 -207.514 40.5443 -207.515 137.001 17.964 40.5431 17.9646 46.8668 GPRESSURE: 4088400 109.914 -287.695 4.86189 -100.546 178.445 59.8326 21.0902 -36.4387 115.395 PRESSAVG: 4088400 33.2899 -46.4627 36.0816 -46.4626 -45.5122 13.5183 36.0816 13.5183 -4.74188 GPRESSAVG: 4088400 31.8499 -44.5392 36.3635 -48.5783 -45.2211 12.9549 35.0809 12.5686 -3.5426 TIMING: 4088400 CPU: 12152.2, 0.0029869/step Wall: 12152.2, 0.0029869/step, 0.75635 hours remaining, 209.113281 MB of memory in use. ENERGY: 4088400 781.3448 2066.2416 1945.9513 110.3491 -206753.4369 18125.0978 0.0000 0.0000 34042.4994 -149681.9528 297.3016 -183724.4523 -149586.6931 297.7657 103.8769 134.5845 556332.7885 -5.6547 -5.6379 PRESSURE: 4088600 -117.446 48.3241 -54.0536 48.3233 108.362 -67.8991 -54.0533 -67.8999 91.1281 GPRESSURE: 4088600 -144.885 62.471 -126.279 -36.1846 190.556 -117.175 -9.27327 -86.4413 137.687 PRESSAVG: 4088600 57.8015 -27.6027 13.0541 -27.6028 -25.9082 43.3401 13.054 43.3402 -27.258 GPRESSAVG: 4088600 57.4452 -30.1902 12.2079 -27.0358 -24.5201 42.7876 13.9372 44.1933 -28.0449 TIMING: 4088600 CPU: 12152.8, 0.00295821/step Wall: 12152.8, 0.00295821/step, 0.74892 hours remaining, 209.113281 MB of memory in use. ENERGY: 4088600 707.0473 2117.3072 1953.9091 116.6174 -206645.8003 17926.4051 0.0000 0.0000 34155.4806 -149669.0337 298.2883 -183824.5143 -149578.0736 298.2333 27.3480 61.1196 556818.4294 1.5451 1.6268 PRESSURE: 4088800 55.0512 26.4998 38.1945 26.4986 133.217 6.2967 38.1959 6.29785 81.8972 GPRESSURE: 4088800 118.015 31.5147 24.6493 37.1835 148.274 57.544 161.986 -38.0011 97.5472 PRESSAVG: 4088800 37.3187 35.5728 -49.1907 35.5728 -31.3285 -8.12346 -49.1906 -8.12345 -32.3206 GPRESSAVG: 4088800 38.3866 36.7632 -47.2368 35.1947 -32.5691 -7.11275 -48.653 -9.38276 -32.2575 TIMING: 4088800 CPU: 12153.4, 0.00299975/step Wall: 12153.4, 0.00299975/step, 0.75927 hours remaining, 209.113281 MB of memory in use. ENERGY: 4088800 708.5763 2052.4060 1910.7888 113.9162 -206457.3660 17842.1264 0.0000 0.0000 34011.3308 -149818.2216 297.0294 -183829.5524 -149714.9318 297.8401 90.0552 121.2787 555158.7877 -8.7768 -8.8133 PRESSURE: 4089000 274.187 -3.81157 129.611 -3.81096 2.1253 91.1691 129.609 91.1685 -129.772 GPRESSURE: 4089000 290.179 25.8153 182.419 20.1012 26.4497 81.0263 144.623 108.112 -85.2397 PRESSAVG: 4089000 72.9529 82.4641 23.0294 82.464 -26.3852 -73.2608 23.0294 -73.2608 -39.4198 GPRESSAVG: 4089000 71.9697 81.5143 20.5443 83.6244 -25.1609 -73.577 23.4866 -73.4364 -39.5285 TIMING: 4089000 CPU: 12154, 0.00293254/step Wall: 12154, 0.00293254/step, 0.742095 hours remaining, 209.113281 MB of memory in use. ENERGY: 4089000 749.4563 2058.8300 1911.1064 107.4388 -206459.0959 17872.6379 0.0000 0.0000 34058.3883 -149701.2382 297.4404 -183759.6265 -149609.3354 297.4391 48.8467 77.1296 555885.3294 2.3826 2.4268 PRESSURE: 4089200 52.324 -55.2998 -48.1482 -55.3002 -72.6324 -34.8185 -48.1485 -34.8182 -294.561 GPRESSURE: 4089200 120.755 -53.353 -37.7418 -154.739 -80.4311 -53.885 -113.692 -17.3288 -274.101 PRESSAVG: 4089200 99.3939 42.244 -23.3461 42.244 -45.7806 -33.3998 -23.3461 -33.3999 -57.9605 GPRESSAVG: 4089200 98.379 42.7217 -20.9978 39.9133 -46.6035 -31.2597 -23.1336 -31.9522 -56.8493 TIMING: 4089200 CPU: 12154.6, 0.00294547/step Wall: 12154.6, 0.00294547/step, 0.745204 hours remaining, 209.113281 MB of memory in use. ENERGY: 4089200 771.0474 2081.5035 1937.5438 111.0263 -206372.0582 17590.2210 0.0000 0.0000 34227.0039 -149653.7123 298.9129 -183880.7162 -149561.9599 298.2283 -104.9563 -77.9257 556068.4553 -1.4491 -1.6913 PRESSURE: 4089400 -165.904 125.74 -50.7776 125.74 -353.283 -80.9565 -50.778 -80.9561 -220.923 GPRESSURE: 4089400 -122.298 154.213 -76.6194 131.858 -334.952 -107.971 2.03213 -49.5792 -170.813 PRESSAVG: 4089400 60.3156 51.9717 -33.8436 51.9716 -97.901 -10.2438 -33.8436 -10.2438 34.7823 GPRESSAVG: 4089400 62.5316 52.8025 -34.4592 50.624 -99.3577 -12.2684 -34.298 -11.3029 34.2993 TIMING: 4089400 CPU: 12155.2, 0.00298351/step Wall: 12155.2, 0.00298351/step, 0.754663 hours remaining, 209.113281 MB of memory in use. ENERGY: 4089400 795.0831 2101.2172 1968.9214 100.4321 -206422.6380 17537.4925 0.0000 0.0000 34172.4978 -149746.9938 298.4369 -183919.4916 -149652.4016 297.9132 -246.7033 -209.3544 557308.9996 -0.9344 -0.8423 PRESSURE: 4089600 52.684 -26.1537 -157.935 -26.1542 -41.1072 -36.2057 -157.935 -36.2058 -80.6178 GPRESSURE: 4089600 50.567 28.3952 -122.318 -34.6068 12.4734 -42.9447 -203.87 42.4177 -44.9744 PRESSAVG: 4089600 -90.9603 54.8307 10.2536 54.8305 27.4086 -68.229 10.2537 -68.229 33.777 GPRESSAVG: 4089600 -92.4266 54.0266 11.4548 57.8974 28.1805 -67.9199 8.63382 -67.4223 34.1111 TIMING: 4089600 CPU: 12155.8, 0.00297159/step Wall: 12155.8, 0.00297159/step, 0.751483 hours remaining, 209.113281 MB of memory in use. ENERGY: 4089600 722.3960 2090.7947 1909.0952 122.6532 -206375.0563 17666.0008 0.0000 0.0000 34282.0816 -149582.0347 299.3939 -183864.1163 -149485.3471 298.0631 -23.0137 6.0220 556776.7408 -9.9249 -10.0450 PRESSURE: 4089800 201.691 65.8394 -21.9441 65.8404 95.4175 26.285 -21.9443 26.2853 168.993 GPRESSURE: 4089800 210.586 -32.5976 -61.0269 132.579 116.779 -40.4068 -120.563 99.9903 217.731 PRESSAVG: 4089800 3.3265 48.8885 -18.452 48.8885 -43.9082 -37.2791 -18.452 -37.2792 10.6593 GPRESSAVG: 4089800 3.00471 48.2172 -19.1791 48.8346 -43.5604 -39.1165 -19.8149 -38.1517 10.5346 TIMING: 4089800 CPU: 12156.4, 0.00296475/step Wall: 12156.4, 0.00296475/step, 0.749589 hours remaining, 209.113281 MB of memory in use. ENERGY: 4089800 773.0610 2069.3869 1915.7494 120.0036 -206673.9363 18040.8018 0.0000 0.0000 34162.4115 -149592.5222 298.3488 -183754.9337 -149496.1614 298.1314 155.3672 181.6988 555251.2030 -9.9741 -10.0070 PRESSURE: 4090000 -107.251 57.8446 108.255 57.8446 -98.5548 -141.212 108.255 -141.212 181.829 GPRESSURE: 4090000 -98.5324 7.25548 88.1075 1.23185 -5.69808 -159.339 16.1773 -161.342 178.125 PRESSAVG: 4090000 -9.33185 -30.5178 -25.74 -30.5179 -71.4948 -99.7944 -25.7399 -99.7945 68.98 GPRESSAVG: 4090000 -9.69873 -27.671 -25.5479 -31.2003 -71.1661 -97.6414 -24.3485 -98.6683 68.5269 TIMING: 4090000 CPU: 12157, 0.00296625/step Wall: 12157, 0.00296625/step, 0.749802 hours remaining, 209.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4090000 727.8576 2054.7135 1969.6789 114.0056 -206277.8927 17689.3287 0.0000 0.0000 34326.0953 -149396.2131 299.7783 -183722.3084 -149306.3283 298.6567 -7.9920 24.6316 557598.1091 -3.9489 -4.1127 PRESSURE: 4090200 -274.249 40.1872 47.1132 40.1874 -50.7632 120.398 47.1134 120.4 265.36 GPRESSURE: 4090200 -186.977 42.4782 49.7125 16.7147 -58.4027 116.685 27.0552 109.014 289.971 PRESSAVG: 4090200 -1.63139 -2.25795 4.86574 -2.25807 0.42548 -77.1035 4.86555 -77.1035 32.5972 GPRESSAVG: 4090200 -0.826164 -2.71506 3.01501 -4.13076 -0.36157 -78.2901 6.59017 -78.4454 32.1032 TIMING: 4090200 CPU: 12157.6, 0.00295297/step Wall: 12157.6, 0.00295297/step, 0.746282 hours remaining, 209.113281 MB of memory in use. ENERGY: 4090200 746.8977 2058.4467 1974.6538 126.3353 -206320.5766 17770.5013 0.0000 0.0000 34255.0669 -149388.6749 299.1580 -183643.7418 -149293.4374 299.2893 -19.8841 14.8637 556647.7952 10.4638 10.3052 PRESSURE: 4090400 -69.7864 -73.2049 -244.57 -73.2054 190.715 -29.2294 -244.571 -29.2311 109.392 GPRESSURE: 4090400 -60.9782 -72.4685 -243.655 29.7503 245.317 -81.3657 -258.981 30.0483 145.735 PRESSAVG: 4090400 -88.3147 30.7323 6.94609 30.7324 45.2507 11.5711 6.9461 11.5709 22.825 GPRESSAVG: 4090400 -88.524 30.8379 9.08033 33.0663 45.2796 9.6848 6.57463 12.981 22.774 TIMING: 4090400 CPU: 12158.2, 0.00296754/step Wall: 12158.2, 0.00296754/step, 0.749798 hours remaining, 209.113281 MB of memory in use. ENERGY: 4090400 737.3019 2069.4105 1955.0424 121.3809 -206379.4553 17969.5061 0.0000 0.0000 34340.1259 -149186.6876 299.9009 -183526.8135 -149088.9002 298.5289 76.7734 110.0245 557407.3641 -6.7463 -6.8235 PRESSURE: 4090600 -286.501 -39.3454 253.396 -39.3456 45.4762 -57.1896 253.394 -57.188 -441.467 GPRESSURE: 4090600 -267.442 -144.642 155.676 -49.7707 73.0154 -120.8 369.273 -33.7167 -383.23 PRESSAVG: 4090600 -32.6486 17.4994 -29.6958 17.4994 7.57216 -25.5043 -29.6958 -25.5043 0.142998 GPRESSAVG: 4090600 -32.4245 15.4045 -31.6429 16.0622 7.1506 -24.3255 -31.8803 -25.7985 0.160844 TIMING: 4090600 CPU: 12158.8, 0.0029579/step Wall: 12158.8, 0.0029579/step, 0.747199 hours remaining, 209.113281 MB of memory in use. ENERGY: 4090600 778.3775 2041.6577 1931.4853 121.7330 -205963.3691 17622.2845 0.0000 0.0000 34314.4851 -149153.3460 299.6769 -183467.8311 -149052.4837 299.4421 -227.4972 -192.5523 557946.6241 -8.3111 -8.3710 PRESSURE: 4090800 132.07 -12.5885 -7.21857 -12.5892 81.1798 38.7961 -7.21892 38.7937 32.9077 GPRESSURE: 4090800 177.486 -28.1594 -34.4109 17.6706 184.273 113.037 -15.6533 -0.098727 -14.1002 PRESSAVG: 4090800 39.8527 2.24124 -4.87432 2.24118 24.1971 -48.9189 -4.8743 -48.9189 -64.6136 GPRESSAVG: 4090800 39.6164 1.7689 -5.0514 4.3997 23.4821 -48.8209 -4.9805 -46.9316 -63.7659 TIMING: 4090800 CPU: 12159.3, 0.00296165/step Wall: 12159.3, 0.00296165/step, 0.747981 hours remaining, 209.113281 MB of memory in use. ENERGY: 4090800 738.0182 2135.6494 1929.0062 104.8377 -206474.3051 18078.5668 0.0000 0.0000 34271.2717 -149216.9552 299.2995 -183488.2269 -149127.0083 299.4214 82.0524 115.8862 556826.2384 -0.1880 -0.2225 PRESSURE: 4091000 -258.885 59.6048 110.883 59.6039 197.849 -164.764 110.883 -164.765 13.173 GPRESSURE: 4091000 -200.776 61.8854 147.956 41.8698 214.998 -231.989 76.3443 -184.964 30.3896 PRESSAVG: 4091000 -23.861 43.1697 57.6667 43.1698 5.15212 11.9537 57.6666 11.9538 76.6218 GPRESSAVG: 4091000 -24.2711 43.7201 58.8708 42.2934 5.36647 9.90927 58.4736 9.54664 76.7343 TIMING: 4091000 CPU: 12159.9, 0.00294846/step Wall: 12159.9, 0.00294846/step, 0.744487 hours remaining, 209.113281 MB of memory in use. ENERGY: 4091000 766.2011 2059.2968 1939.2832 110.4226 -206357.5442 17888.6566 0.0000 0.0000 34396.9558 -149196.7281 300.3972 -183593.6839 -149094.5013 299.7819 -15.9544 14.8703 557521.3039 19.3043 19.2765 PRESSURE: 4091200 -49.5714 38.4707 97.8037 38.4703 -195.477 58.4793 97.8051 58.4791 -243.081 GPRESSURE: 4091200 -64.5194 104.02 90.9159 44.7677 -111.232 16.8499 56.4529 47.8074 -222.757 PRESSAVG: 4091200 -11.3259 22.0156 35.3778 22.0157 -48.5998 13.0923 35.3779 13.0923 72.8705 GPRESSAVG: 4091200 -11.4391 22.877 34.0352 22.1044 -48.8996 15.937 36.0101 12.0026 72.7952 TIMING: 4091200 CPU: 12160.5, 0.00296533/step Wall: 12160.5, 0.00296532/step, 0.74858 hours remaining, 209.113281 MB of memory in use. ENERGY: 4091200 775.3984 2112.0963 1909.2509 114.0649 -205836.1307 17568.0799 0.0000 0.0000 34223.8398 -149133.4007 298.8853 -183357.2404 -149036.5096 299.1365 -162.7100 -132.8361 558863.4928 4.3149 4.1522 PRESSURE: 4091400 -27.7687 -70.5099 -56.8895 -70.5088 137.287 -11.6725 -56.889 -11.6743 154.253 GPRESSURE: 4091400 -43.5726 5.19095 -104.813 -98.0531 149.194 -19.547 -70.9372 27.8026 253.431 PRESSAVG: 4091400 -26.0691 13.6134 -56.7908 13.6135 -50.4736 0.363033 -56.7908 0.363096 63.2151 GPRESSAVG: 4091400 -25.9148 13.671 -56.022 13.8385 -49.9149 1.11624 -56.8716 -0.180977 62.0741 TIMING: 4091400 CPU: 12161.1, 0.00296444/step Wall: 12161.1, 0.00296444/step, 0.748191 hours remaining, 209.113281 MB of memory in use. ENERGY: 4091400 732.3235 2130.2257 1927.7158 107.1908 -206362.7063 17918.8714 0.0000 0.0000 34343.8182 -149202.5609 299.9331 -183546.3791 -149102.8291 299.5183 87.9237 119.6840 557711.6121 -4.4425 -4.5852 PRESSURE: 4091600 -37.8318 -5.28134 112.814 -5.28215 -267.426 -11.5603 112.813 -11.5595 -139.395 GPRESSURE: 4091600 -11.9259 -54.2447 190.081 26.4355 -274.074 68.447 37.5198 -66.6397 -48.7461 PRESSAVG: 4091600 -21.0827 -8.4567 -26.7541 -8.45673 -57.2413 40.0896 -26.7542 40.0895 50.2882 GPRESSAVG: 4091600 -21.1676 -8.00205 -27.1167 -8.05862 -57.9264 38.4355 -27.5494 42.0144 51.4171 TIMING: 4091600 CPU: 12161.7, 0.00294576/step Wall: 12161.7, 0.00294576/step, 0.743312 hours remaining, 209.113281 MB of memory in use. ENERGY: 4091600 765.2448 2013.0793 1981.9450 109.9660 -205923.0197 17589.4672 0.0000 0.0000 34240.3764 -149222.9410 299.0297 -183463.3174 -149122.0515 299.0539 -148.2175 -111.5821 558559.5436 -9.3453 -9.2256 PRESSURE: 4091800 -145.964 5.9393 181.659 5.93919 -70.271 58.4457 181.657 58.4462 134.536 GPRESSURE: 4091800 -116.304 -46.1689 158.15 103.319 28.4821 133.508 240.777 5.37811 100.656 PRESSAVG: 4091800 -29.2949 -22.4057 27.3308 -22.4057 -18.5273 12.8122 27.3307 12.8121 31.7329 GPRESSAVG: 4091800 -30.7258 -23.2013 28.0244 -22.9085 -16.2976 12.5097 27.0409 12.9053 30.6293 TIMING: 4091800 CPU: 12162.3, 0.00293032/step Wall: 12162.3, 0.00293032/step, 0.739255 hours remaining, 209.113281 MB of memory in use. ENERGY: 4091800 727.0249 2100.4277 1951.8245 114.6122 -205649.8830 17389.0073 0.0000 0.0000 34153.0350 -149213.9514 298.2669 -183366.9865 -149115.4589 299.2932 -27.2330 4.2780 556348.3857 -5.3631 -5.4647 PRESSURE: 4092000 49.2402 -35.3836 -90.1736 -35.3822 166.625 -135.297 -90.1733 -135.296 136.877 GPRESSURE: 4092000 46.7209 -128.618 -9.04196 -8.22288 240.214 -191.496 -87.9458 -123.477 163.823 PRESSAVG: 4092000 61.1646 -19.725 -15.3803 -19.725 63.8326 1.58676 -15.3803 1.58676 -63.0545 GPRESSAVG: 4092000 62.232 -20.5448 -15.9774 -19.724 61.99 2.00078 -12.208 0.0874531 -62.3858 TIMING: 4092000 CPU: 12162.9, 0.00294881/step Wall: 12162.9, 0.00294881/step, 0.743754 hours remaining, 209.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4092000 732.5424 2161.2669 1935.8009 118.2799 -206184.3333 17854.7390 0.0000 0.0000 34106.8355 -149274.8687 297.8635 -183381.7042 -149176.5396 299.1657 117.5806 150.2524 556982.7048 20.6476 20.6121 PRESSURE: 4092200 323.973 8.65958 -120.375 8.65786 -36.8103 -168.834 -120.376 -168.834 105.599 GPRESSURE: 4092200 366.77 -16.4306 -185.004 74.6682 20.786 -72.425 -48.2771 -219.327 109.127 PRESSAVG: 4092200 7.28515 21.984 -6.68986 21.9839 -5.60247 -37.3408 -6.68984 -37.3409 32.293 GPRESSAVG: 4092200 7.93611 22.774 -5.88207 22.9154 -6.01821 -36.5735 -8.78204 -38.1859 32.1488 TIMING: 4092200 CPU: 12163.5, 0.00295954/step Wall: 12163.5, 0.00295954/step, 0.746298 hours remaining, 209.113281 MB of memory in use. ENERGY: 4092200 717.1657 2091.6681 1916.9032 119.2385 -206304.6418 17855.4837 0.0000 0.0000 34142.2128 -149461.9699 298.1724 -183604.1827 -149361.8421 298.5582 130.9206 165.5611 555298.0011 11.3252 11.3556 LDB: ============= START OF LOAD BALANCING ============== 12167 LDB: ============== END OF LOAD BALANCING =============== 12167 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12167 LDB: ============= START OF LOAD BALANCING ============== 12167.3 LDB: Largest compute 4809 load 0.023639 is 20.0% of average load 0.118313 LDB: Average compute 0.001732 is 1.5% of average load 0.118313 LDB: TIME 12167.3 LOAD: AVG 0.118313 MAX 0.197474 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.699 MB LDB: TIME 12167.3 LOAD: AVG 0.118313 MAX 0.197474 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.738 MB LDB: TIME 12167.3 LOAD: AVG 0.118313 MAX 0.197474 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12167.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12167.3 PRESSURE: 4092400 -239.207 -108.009 66.4655 -108.009 -92.6176 1.08871 66.4651 1.08758 -17.6188 GPRESSURE: 4092400 -220.628 -44.4429 129.591 -152.989 -26.443 143.234 74.2305 -99.603 -11.0506 PRESSAVG: 4092400 -54.1715 20.5054 8.69546 20.5054 19.2777 -15.0648 8.69552 -15.0648 -18.9556 GPRESSAVG: 4092400 -54.1051 21.5101 8.62997 19.5613 19.7357 -15.3655 8.43602 -12.83 -19.51 TIMING: 4092400 CPU: 12164.1, 0.00300349/step Wall: 12164.1, 0.00300349/step, 0.757214 hours remaining, 208.730469 MB of memory in use. ENERGY: 4092400 763.4527 2130.7507 1943.8954 116.4406 -206183.5829 17562.0121 0.0000 0.0000 34213.1989 -149453.8326 298.7924 -183667.0314 -149361.0901 298.7872 -116.4813 -86.0404 556474.2586 -17.9498 -17.9598 PRESSURE: 4092600 -249.977 71.0271 -59.9381 71.0267 50.3431 -61.3979 -59.9392 -61.3974 -22.6636 GPRESSURE: 4092600 -266.866 13.6182 -64.7777 76.0262 109.379 -49.9949 -111.848 -26.3999 22.743 PRESSAVG: 4092600 18.8878 26.4158 9.61647 26.4159 45.2623 19.9435 9.61639 19.9434 0.183437 GPRESSAVG: 4092600 18.1428 25.6107 10.7587 27.1467 45.5503 20.7192 8.59123 18.0648 0.601792 TIMING: 4092600 CPU: 12164.7, 0.00294499/step Wall: 12164.7, 0.00294499/step, 0.7423 hours remaining, 208.800781 MB of memory in use. ENERGY: 4092600 775.2269 2091.4865 1920.9930 111.3059 -206423.8448 17748.1011 0.0000 0.0000 34307.5830 -149469.1484 299.6167 -183776.7314 -149371.2789 299.2283 -74.0992 -44.9147 557023.2253 21.4445 21.4316 PRESSURE: 4092800 -22.4431 -23.1077 -115.633 -23.1071 -42.1346 127.722 -115.634 127.722 62.0941 GPRESSURE: 4092800 10.0148 -56.3414 -115.339 -46.3951 -65.5023 50.4963 -164.722 102.671 144.729 PRESSAVG: 4092800 72.9057 20.0463 -10.5021 20.0464 -44.7249 -30.6343 -10.5022 -30.6341 -5.85091 GPRESSAVG: 4092800 72.6366 19.1836 -11.8826 19.8541 -45.9724 -32.0199 -9.89705 -30.0079 -4.53249 TIMING: 4092800 CPU: 12165.3, 0.00292778/step Wall: 12165.3, 0.00292778/step, 0.737801 hours remaining, 208.800781 MB of memory in use. ENERGY: 4092800 760.3330 2172.7209 1943.9989 109.3176 -206363.6338 17876.0878 0.0000 0.0000 34127.1072 -149374.0685 298.0405 -183501.1757 -149279.8787 299.7263 -0.8278 29.7472 557437.7419 7.4433 7.3773 PRESSURE: 4093000 -316.027 10.651 178.752 10.6517 -451.053 -131.271 178.752 -131.272 -350.837 GPRESSURE: 4093000 -280.579 35.1382 206.786 -47.9409 -418.889 -104.395 141.854 -132.717 -323.135 PRESSAVG: 4093000 44.6007 -6.56538 11.1613 -6.56529 -27.4338 -18.1169 11.1612 -18.117 -25.6325 GPRESSAVG: 4093000 45.1255 -6.04763 9.61249 -5.75485 -27.437 -18.0022 11.5226 -16.3682 -26.3192 TIMING: 4093000 CPU: 12165.8, 0.00292782/step Wall: 12165.8, 0.00292782/step, 0.737647 hours remaining, 208.800781 MB of memory in use. ENERGY: 4093000 796.4737 2085.6658 1954.3144 105.9700 -205756.7043 17319.7439 0.0000 0.0000 34081.5352 -149413.0013 297.6425 -183494.5365 -149321.9657 298.5158 -372.6389 -340.8677 559039.2271 -2.8219 -2.8769 PRESSURE: 4093200 162.4 -77.6408 -7.86728 -77.6409 241.054 -53.8219 -7.86846 -53.8209 234.296 GPRESSURE: 4093200 207.17 -97.5975 -38.8241 -71.9889 267.817 64.1174 -52.4038 -148.083 251.258 PRESSAVG: 4093200 60.093 -44.2087 -0.845653 -44.2086 -55.4824 -57.3848 -0.845659 -57.3849 -30.1082 GPRESSAVG: 4093200 59.7534 -44.5202 0.252588 -45.3531 -55.5602 -56.756 -0.284007 -58.4002 -29.9492 TIMING: 4093200 CPU: 12166.4, 0.00292549/step Wall: 12166.4, 0.00292549/step, 0.736898 hours remaining, 208.800781 MB of memory in use. ENERGY: 4093200 750.1971 2112.3525 1933.1957 97.9909 -206731.2500 18164.7860 0.0000 0.0000 34230.3645 -149442.3635 298.9423 -183672.7279 -149346.7394 298.4530 212.5833 242.0818 556501.4376 -8.4992 -8.5853 PRESSURE: 4093400 -128.698 -114.001 215.425 -114.003 -72.2718 -43.8338 215.425 -43.8346 -80.4371 GPRESSURE: 4093400 -146.035 -190.084 220.876 -137.058 40.855 -74.4555 281.006 -22.4402 -64.103 PRESSAVG: 4093400 -9.57344 -34.2544 6.47321 -34.2545 33.9784 -15.3472 6.47314 -15.3473 -24.1227 GPRESSAVG: 4093400 -8.62969 -34.4939 7.27658 -33.8424 34.5675 -14.8213 4.82647 -14.0091 -25.5974 TIMING: 4093400 CPU: 12167, 0.00295185/step Wall: 12167, 0.00295185/step, 0.743374 hours remaining, 208.800781 MB of memory in use. ENERGY: 4093400 775.3409 2099.5689 1930.0419 113.6641 -206099.9431 17757.1948 0.0000 0.0000 33846.8328 -149577.2996 295.5928 -183424.1324 -149483.9345 297.7485 -93.8021 -56.4277 558026.4671 0.0941 0.1135 PRESSURE: 4093600 -297.696 -114.756 -72.6084 -114.756 74.9534 -81.5088 -72.6085 -81.5088 -158.019 GPRESSURE: 4093600 -217.256 -110.329 -32.1586 -82.8041 69.7603 13.99 -131.969 -157.748 -125.873 PRESSAVG: 4093600 5.49274 -67.3023 23.3604 -67.3024 -13.1028 -7.61454 23.3604 -7.61456 -7.50644 GPRESSAVG: 4093600 5.00215 -64.6844 22.0791 -68.14 -14.2612 -7.48917 24.7614 -10.3421 -6.65261 TIMING: 4093600 CPU: 12167.6, 0.00294684/step Wall: 12167.6, 0.00294684/step, 0.741948 hours remaining, 208.800781 MB of memory in use. ENERGY: 4093600 746.1866 2052.3740 1918.6819 124.2339 -205889.1017 17666.2375 0.0000 0.0000 33952.3646 -149429.0233 296.5144 -183381.3879 -149339.2405 298.5171 -126.9206 -91.1231 558249.1171 -5.0388 -5.3039 PRESSURE: 4093800 -192.965 94.8505 34.2776 94.851 -158.953 58.9227 34.277 58.9224 -271.047 GPRESSURE: 4093800 -179.6 211.393 -5.45874 112.584 -81.4105 61.0353 -40.4976 -1.66414 -270.942 PRESSAVG: 4093800 26.3628 15.1387 10.9386 15.1388 -8.48704 26.4739 10.9387 26.4738 -66.5489 GPRESSAVG: 4093800 26.9757 14.3888 10.9995 13.6904 -8.67941 24.2928 10.4378 27.5845 -66.9668 TIMING: 4093800 CPU: 12168.2, 0.00294712/step Wall: 12168.2, 0.00294712/step, 0.741856 hours remaining, 208.800781 MB of memory in use. ENERGY: 4093800 744.0659 2093.0731 1892.5106 113.4176 -206143.0596 17626.6975 0.0000 0.0000 34213.3174 -149459.9777 298.7934 -183673.2950 -149370.6101 298.7199 -207.6550 -177.3176 559398.3275 -16.2244 -16.2235 PRESSURE: 4094000 -78.3027 100.739 -37.8665 100.74 -263.737 -21.5723 -37.8661 -21.5724 73.7128 GPRESSURE: 4094000 -69.869 148.357 -190.105 53.5264 -217.681 18.8852 54.409 -136.831 110.227 PRESSAVG: 4094000 -35.4746 -12.2273 3.64167 -12.2273 -23.3834 -31.6688 3.64165 -31.6688 51.6115 GPRESSAVG: 4094000 -36.7717 -13.042 4.94227 -10.4308 -23.3397 -29.2974 3.52765 -31.9065 52.7707 TIMING: 4094000 CPU: 12168.8, 0.00294505/step Wall: 12168.8, 0.00294505/step, 0.741171 hours remaining, 208.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4094000 754.3093 2066.4746 1926.9693 117.8181 -206297.8715 17819.6604 0.0000 0.0000 34494.8203 -149117.8196 301.2518 -183612.6399 -149022.2514 298.8909 -89.4422 -59.1079 558150.1859 -2.4155 -2.4469 PRESSURE: 4094200 -14.1904 -17.2969 104.127 -17.2966 -16.47 3.44208 104.127 3.44307 320.8 GPRESSURE: 4094200 53.4975 -10.4989 114.742 -26.3496 -2.43263 -56.095 129.434 23.7578 327.353 PRESSAVG: 4094200 39.4141 -19.4562 23.1047 -19.4561 -55.6706 -6.31137 23.1046 -6.31134 40.6225 GPRESSAVG: 4094200 39.3241 -19.7317 21.2876 -19.3267 -55.9547 -6.45103 25.173 -6.12771 40.9966 TIMING: 4094200 CPU: 12169.4, 0.00293633/step Wall: 12169.4, 0.00293633/step, 0.738814 hours remaining, 208.800781 MB of memory in use. ENERGY: 4094200 733.1297 2080.2830 1938.5937 98.1261 -206361.2199 17841.2663 0.0000 0.0000 34442.8326 -149226.9886 300.7978 -183669.8211 -149130.6766 300.1281 96.7131 126.1393 556837.3952 8.1220 8.1220 PRESSURE: 4094400 -314.839 18.8022 11.0829 18.8015 12.5448 74.7809 11.0824 74.7814 -14.5366 GPRESSURE: 4094400 -271.731 42.0881 51.2219 12.4204 61.1133 114.683 -51.7068 73.9584 -14.6045 PRESSAVG: 4094400 2.9544 48.4734 31.3654 48.4734 13.1185 -8.81724 31.3654 -8.81721 -11.9331 GPRESSAVG: 4094400 3.34637 48.4194 33.6352 48.4844 13.6157 -8.94833 29.6975 -9.16117 -12.2674 TIMING: 4094400 CPU: 12170, 0.00292805/step Wall: 12170, 0.00292805/step, 0.736568 hours remaining, 208.800781 MB of memory in use. ENERGY: 4094400 733.2731 2066.4865 1914.5453 107.2469 -206089.4848 17541.7724 0.0000 0.0000 34469.3238 -149256.8368 301.0292 -183726.1606 -149160.0672 299.5772 -105.6104 -75.0742 558126.6829 1.3799 1.5649 PRESSURE: 4094600 -197.93 277.367 19.6708 277.367 -140.658 -141.104 19.6712 -141.104 21.1831 GPRESSURE: 4094600 -131.683 167.861 55.5418 283.806 -107.964 -157.33 -12.2153 -131.422 24.8719 PRESSAVG: 4094600 61.9451 76.5778 4.66333 76.5778 -49.3574 -51.2214 4.66331 -51.2215 10.0044 GPRESSAVG: 4094600 60.6351 77.2467 3.59316 75.2704 -49.4081 -51.2482 4.63054 -50.3838 11.1235 TIMING: 4094600 CPU: 12170.5, 0.00293573/step Wall: 12170.5, 0.00293573/step, 0.738336 hours remaining, 208.800781 MB of memory in use. ENERGY: 4094600 746.3112 2061.5170 1944.3914 114.6325 -206180.6777 17724.7389 0.0000 0.0000 34201.8431 -149387.2435 298.6932 -183589.0865 -149289.8018 299.5117 -105.8019 -71.5916 557760.2093 7.5307 7.4502 PRESSURE: 4094800 221.542 -41.0707 -96.6051 -41.0717 84.86 -13.6573 -96.6043 -13.6554 -5.93684 GPRESSURE: 4094800 212.753 12.4661 -137.67 -6.27632 181.038 -78.3844 -81.8507 -27.2947 2.28756 PRESSAVG: 4094800 19.0467 -17.3225 11.0694 -17.3226 69.7862 1.38212 11.0693 1.38215 -62.2602 GPRESSAVG: 4094800 19.3365 -16.8195 11.77 -16.2703 70.3554 0.229207 9.29122 -0.974053 -62.3517 TIMING: 4094800 CPU: 12171.1, 0.00293876/step Wall: 12171.1, 0.00293876/step, 0.738935 hours remaining, 208.800781 MB of memory in use. ENERGY: 4094800 715.1736 2102.4798 1938.7620 117.9479 -206489.1020 17940.9067 0.0000 0.0000 34253.5597 -149420.2722 299.1449 -183673.8319 -149324.5167 299.0056 100.1551 132.0260 555797.3113 8.8576 9.1134 PRESSURE: 4095000 -110.152 2.59283 -10.3098 2.5942 -79.5345 54.3935 -10.3098 54.3932 82.1791 GPRESSURE: 4095000 -37.2211 49.5041 -29.3638 -67.8137 -72.193 90.72 85.9882 102.47 108.212 PRESSAVG: 4095000 55.7479 -25.5852 -17.2217 -25.5851 21.1602 -27.5799 -17.2217 -27.5799 -69.3504 GPRESSAVG: 4095000 55.6739 -26.8648 -17.6431 -25.9198 19.6527 -25.8393 -13.6087 -26.7608 -68.5362 TIMING: 4095000 CPU: 12171.7, 0.00293499/step Wall: 12171.7, 0.00293499/step, 0.737825 hours remaining, 208.800781 MB of memory in use. ENERGY: 4095000 765.9335 2155.9575 1914.1668 126.4186 -206140.0458 17687.8989 0.0000 0.0000 34185.5517 -149304.1187 298.5509 -183489.6705 -149206.2334 298.6019 -35.8357 -0.4006 558890.8128 2.5192 2.2635 PRESSURE: 4095200 228.83 -71.1775 -38.8843 -71.1779 44.3319 126.267 -38.8842 126.265 -22.3817 GPRESSURE: 4095200 273.758 -51.322 -20.6809 -48.2228 71.0556 191.921 -78.0433 7.39495 6.34937 PRESSAVG: 4095200 5.3494 -38.4149 8.23688 -38.415 -7.67775 12.3176 8.23689 12.3176 -17.9283 GPRESSAVG: 4095200 7.22037 -36.9417 5.64348 -38.4002 -8.15479 13.1557 7.49834 11.6613 -19.1959 TIMING: 4095200 CPU: 12172.3, 0.00293805/step Wall: 12172.3, 0.00293805/step, 0.738429 hours remaining, 208.800781 MB of memory in use. ENERGY: 4095200 758.5319 2053.4373 1952.3383 109.7250 -206398.5634 17940.7458 0.0000 0.0000 34281.8667 -149301.9184 299.3921 -183583.7851 -149197.9629 299.4503 83.5933 117.0544 557468.3105 -6.7522 -6.7101 PRESSURE: 4095400 156.279 -31.6005 -25.9585 -31.6007 35.8337 -158.607 -25.9593 -158.608 155.463 GPRESSURE: 4095400 209.651 -3.8348 77.2117 -135.276 76.7009 -194.756 -80.4494 -74.4093 161.279 PRESSAVG: 4095400 30.2302 -39.2502 -0.524182 -39.2501 -39.7351 -4.25069 -0.524196 -4.25063 9.79348 GPRESSAVG: 4095400 28.6534 -39.056 1.16317 -40.7096 -38.1282 -3.4536 -0.115311 -3.64654 10.1081 TIMING: 4095400 CPU: 12172.9, 0.00294321/step Wall: 12172.9, 0.00294321/step, 0.739563 hours remaining, 208.800781 MB of memory in use. ENERGY: 4095400 728.9759 2133.6802 1936.0130 104.0672 -206798.2513 18114.0794 0.0000 0.0000 34296.4518 -149484.9838 299.5194 -183781.4356 -149388.8745 298.8339 115.8587 149.2103 557340.9644 0.0962 0.2111 PRESSURE: 4095600 8.09245 15.4221 23.4771 15.4227 -162.322 -139.346 23.4766 -139.347 -120.915 GPRESSURE: 4095600 31.6741 -53.0634 21.9581 60.2468 -97.0698 -130.357 82.5534 -175.151 -103.479 PRESSAVG: 4095600 -4.44115 -14.6597 -28.0097 -14.6597 -60.6863 -17.947 -28.0097 -17.9469 83.4195 GPRESSAVG: 4095600 -4.35494 -17.4999 -28.0115 -12.916 -60.5284 -20.3511 -27.9982 -17.6801 83.863 TIMING: 4095600 CPU: 12173.5, 0.00293272/step Wall: 12173.5, 0.00293272/step, 0.736764 hours remaining, 208.800781 MB of memory in use. ENERGY: 4095600 732.4265 2120.3476 1946.9923 117.7250 -205928.4257 17464.4377 0.0000 0.0000 34290.4602 -149256.0366 299.4671 -183546.4968 -149164.2282 299.4664 -91.7149 -56.2916 556388.0484 6.0973 6.3266 PRESSURE: 4095800 -247.478 107.359 120.279 107.358 -74.7439 102.465 120.28 102.466 -475.82 GPRESSURE: 4095800 -208.382 149.949 134.638 121.457 -62.2405 142.334 173.854 43.9497 -432.906 PRESSAVG: 4095800 8.6078 -13.5126 29.3559 -13.5126 37.2811 -31.1815 29.3559 -31.1816 -87.0646 GPRESSAVG: 4095800 9.03773 -13.7106 28.5654 -14.5628 36.6897 -30.5199 28.4836 -31.9349 -86.7742 TIMING: 4095800 CPU: 12174.1, 0.00293294/step Wall: 12174.1, 0.00293294/step, 0.736656 hours remaining, 208.800781 MB of memory in use. ENERGY: 4095800 737.9132 2095.1200 1944.6663 109.0165 -205742.1373 17334.4536 0.0000 0.0000 34277.7842 -149243.1834 299.3564 -183520.9676 -149150.9126 299.3824 -266.0138 -234.5097 559318.5630 -13.7252 -13.6823 PRESSURE: 4096000 -317.677 -26.6294 84.5538 -26.6304 69.1611 -77.726 84.5549 -77.7247 -61.8504 GPRESSURE: 4096000 -279.537 -63.5886 -3.02264 -40.1269 33.3032 -56.8896 111.529 -46.9127 33.3144 PRESSAVG: 4096000 -34.9541 75.0679 50.0382 75.0679 26.9589 15.8636 50.0382 15.8636 -21.2897 GPRESSAVG: 4096000 -34.7546 76.6699 50.2521 76.5024 27.2572 17.4328 50.4901 15.1187 -22.2171 TIMING: 4096000 CPU: 12174.7, 0.00296283/step Wall: 12174.7, 0.00296283/step, 0.744 hours remaining, 208.800781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4096000 766.2318 2136.1510 1970.6651 119.2702 -206312.7624 17861.1544 0.0000 0.0000 34009.8980 -149449.3920 297.0169 -183459.2900 -149350.9716 298.8383 -103.4553 -70.9732 558082.2746 -9.7616 -9.9048 PRESSURE: 4096200 62.9969 -42.8075 -20.9231 -42.8068 14.4425 169.384 -20.9239 169.384 -120.769 GPRESSURE: 4096200 83.9883 -127.154 -62.2573 -74.675 22.3981 123.128 -15.317 216.464 -59.3275 PRESSAVG: 4096200 -39.5528 -6.02433 10.8303 -6.02429 -18.2617 53.9928 10.8304 53.9928 1.2106 GPRESSAVG: 4096200 -40.0331 -6.67708 9.04474 -6.80444 -17.8578 51.131 9.37171 56.1883 1.40329 TIMING: 4096200 CPU: 12175.3, 0.00296102/step Wall: 12175.3, 0.00296102/step, 0.743382 hours remaining, 208.800781 MB of memory in use. ENERGY: 4096200 759.3549 2055.0995 1948.4285 108.4733 -206265.0469 17884.0017 0.0000 0.0000 34329.5268 -149180.1621 299.8083 -183509.6889 -149080.6545 298.9846 -14.4434 15.6863 558263.2535 -18.8680 -18.8292 LDB: ============= START OF LOAD BALANCING ============== 12178.8 LDB: ============== END OF LOAD BALANCING =============== 12178.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12178.8 LDB: ============= START OF LOAD BALANCING ============== 12179.1 LDB: Largest compute 4809 load 0.022493 is 19.0% of average load 0.118359 LDB: Average compute 0.001722 is 1.5% of average load 0.118359 LDB: TIME 12179.1 LOAD: AVG 0.118359 MAX 0.199003 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.02 MB LDB: TIME 12179.1 LOAD: AVG 0.118359 MAX 0.199003 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.02 MB LDB: TIME 12179.1 LOAD: AVG 0.118359 MAX 0.199003 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.02 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12179.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12179.1 PRESSURE: 4096400 -28.2676 62.7841 85.2572 62.783 -124.06 -47.3497 85.2587 -47.3505 154.862 GPRESSURE: 4096400 7.41168 68.7936 64.8151 98.2751 -41.7975 3.64585 139.672 -83.9635 139.811 PRESSAVG: 4096400 47.8784 -11.1218 -1.95846 -11.1218 -15.3301 -36.2431 -1.95845 -36.2432 -21.0746 GPRESSAVG: 4096400 48.2724 -10.564 0.0242062 -12.2623 -16.8281 -34.1053 -1.38717 -36.3665 -20.0015 TIMING: 4096400 CPU: 12175.9, 0.00300686/step Wall: 12175.9, 0.00300686/step, 0.754721 hours remaining, 207.050781 MB of memory in use. ENERGY: 4096400 745.1385 2122.7594 1926.8667 117.9392 -206286.2704 17873.2739 0.0000 0.0000 34229.5824 -149270.7104 298.9355 -183500.2927 -149174.6770 299.2760 0.8447 35.1416 558139.7337 3.8246 3.8143 PRESSURE: 4096600 81.4308 -1.58088 114.49 -1.58262 193.127 67.5567 114.491 67.5554 -80.1885 GPRESSURE: 4096600 137.537 21.261 46.4742 -35.0803 249.36 21.8294 107.932 121.999 -77.2108 PRESSAVG: 4096600 42.6378 -0.338832 17.1614 -0.338773 -100.586 -55.171 17.1614 -55.171 14.804 GPRESSAVG: 4096600 43.0656 -0.717383 16.6818 2.14052 -99.9115 -56.8371 17.4201 -55.5061 14.1927 TIMING: 4096600 CPU: 12176.4, 0.00294767/step Wall: 12176.4, 0.00294767/step, 0.739701 hours remaining, 207.050781 MB of memory in use. ENERGY: 4096600 740.0702 2106.1934 1951.0762 113.2705 -206317.0002 17971.2609 0.0000 0.0000 34174.2385 -149260.8905 298.4521 -183435.1290 -149162.7936 298.9964 64.7899 103.2287 557271.4812 -14.3812 -14.2177 PRESSURE: 4096800 56.2706 14.6407 -43.3747 14.6397 -43.9252 -89.5885 -43.3747 -89.5911 -94.4568 GPRESSURE: 4096800 58.4385 -8.06406 18.0847 62.1762 35.9822 -36.8517 -125.411 -161.967 -75.8953 PRESSAVG: 4096800 38.0163 -14.9427 12.3937 -14.9427 19.1988 5.50289 12.3937 5.50277 18.0262 GPRESSAVG: 4096800 38.3163 -14.9683 14.2946 -17.0054 19.6962 7.08457 10.8792 4.21441 17.5461 TIMING: 4096800 CPU: 12177, 0.00296928/step Wall: 12177, 0.00296928/step, 0.74496 hours remaining, 207.050781 MB of memory in use. ENERGY: 4096800 789.3509 2101.6451 1907.5497 101.3496 -206003.0014 17777.9855 0.0000 0.0000 34132.7685 -149192.3522 298.0900 -183325.1207 -149094.1647 299.6519 -27.3705 6.1751 559241.8328 25.0805 25.1862 PRESSURE: 4097000 180.195 -103.718 -26.8129 -103.718 -71.5529 74.9595 -26.8138 74.9587 175.291 GPRESSURE: 4097000 233.351 -101.311 42.0302 -19.0154 -91.8476 51.0151 -32.0667 100.51 229.266 PRESSAVG: 4097000 -1.28411 5.28661 15.4767 5.28662 -59.1731 -19.5933 15.4766 -19.5934 23.2366 GPRESSAVG: 4097000 -0.59008 6.58303 13.1652 5.38107 -59.6898 -20.7207 14.9267 -17.9019 22.9156 TIMING: 4097000 CPU: 12177.6, 0.0029643/step Wall: 12177.6, 0.0029643/step, 0.743546 hours remaining, 207.050781 MB of memory in use. ENERGY: 4097000 753.8486 2151.9097 1942.8241 117.6990 -206331.3344 18058.5045 0.0000 0.0000 34248.3788 -149058.1698 299.0996 -183306.5485 -148960.5277 299.3216 94.6444 123.5899 557475.9893 -12.4069 -12.4548 PRESSURE: 4097200 -67.6365 67.7484 140.572 67.7481 22.0219 86.1475 140.571 86.1479 -31.1243 GPRESSURE: 4097200 -47.97 45.3881 107.145 79.1547 55.7037 126.871 136.757 15.2646 5.97409 PRESSAVG: 4097200 -26.3656 6.17107 1.37271 6.17113 12.5312 -4.43194 1.37267 -4.4318 -9.82153 GPRESSAVG: 4097200 -28.353 4.2861 0.420619 5.10155 14.1668 -4.21863 3.24798 -6.06051 -9.28857 TIMING: 4097200 CPU: 12178.2, 0.00293913/step Wall: 12178.2, 0.00293913/step, 0.737069 hours remaining, 207.050781 MB of memory in use. ENERGY: 4097200 772.3654 2104.6229 1905.6417 111.9994 -206056.8732 17772.6059 0.0000 0.0000 34374.9461 -149014.6918 300.2050 -183389.6379 -148911.4397 299.7070 -25.5796 4.5693 556894.2770 -7.8853 -7.8249 PRESSURE: 4097400 -99.7244 -68.2999 -20.8267 -68.3003 -72.1488 35.5522 -20.8267 35.551 -295.879 GPRESSURE: 4097400 -23.3003 46.5504 -80.0351 -31.1362 -85.4176 4.96843 119.507 156.476 -245.686 PRESSAVG: 4097400 -11.1163 10.466 40.1731 10.466 -14.7203 12.8277 40.1731 12.8276 10.6978 GPRESSAVG: 4097400 -11.2957 11.2887 39.4798 11.6614 -15.258 12.9366 40.9448 15.4468 11.4023 TIMING: 4097400 CPU: 12178.8, 0.00294677/step Wall: 12178.8, 0.00294677/step, 0.738822 hours remaining, 207.050781 MB of memory in use. ENERGY: 4097400 764.8328 2106.6718 1940.7233 109.1307 -205969.4665 17510.9618 0.0000 0.0000 34482.1215 -149055.0245 301.1409 -183537.1460 -148958.5620 299.6382 -155.9174 -118.1347 558950.3880 -5.0463 -5.0505 PRESSURE: 4097600 -168.867 21.2098 -111.034 21.2088 -229.971 62.1656 -111.033 62.167 -243.917 GPRESSURE: 4097600 -106.572 -74.4062 -81.1585 91.1792 -263.945 29.5593 -116.84 149.965 -167.091 PRESSAVG: 4097600 32.1108 -23.1355 30.2238 -23.1355 21.5954 30.2578 30.2238 30.2577 -33.5498 GPRESSAVG: 4097600 33.5217 -22.5842 32.7232 -22.8071 20.6031 28.6808 30.9569 28.634 -33.7597 TIMING: 4097600 CPU: 12179.4, 0.00294825/step Wall: 12179.4, 0.00294826/step, 0.739029 hours remaining, 207.050781 MB of memory in use. ENERGY: 4097600 706.3819 2131.8405 1924.6189 106.1953 -205755.1553 17466.3550 0.0000 0.0000 34377.9553 -149041.8085 300.2312 -183419.7637 -148943.4250 299.6063 -214.2516 -179.2025 558319.2972 6.7188 6.7884 PRESSURE: 4097800 155.636 -48.0323 46.245 -48.0321 -448.437 -221.272 46.2449 -221.273 -134.497 GPRESSURE: 4097800 216.963 49.8656 -18.6282 0.424921 -453.051 -209.507 189.286 -230.337 -91.6763 PRESSAVG: 4097800 -44.1027 -25.0243 -4.72616 -25.0242 50.2194 -31.8436 -4.72608 -31.8437 -15.6371 GPRESSAVG: 4097800 -44.6473 -24.274 -7.43457 -25.3347 50.8811 -31.5645 -4.42766 -32.5314 -15.9161 TIMING: 4097800 CPU: 12180, 0.00299886/step Wall: 12180, 0.00299886/step, 0.751547 hours remaining, 207.050781 MB of memory in use. ENERGY: 4097800 733.0187 2156.7207 1934.5779 122.1763 -205923.5893 17572.4013 0.0000 0.0000 34258.1019 -149146.5923 299.1845 -183404.6943 -149048.5542 299.4821 -142.4325 -109.2547 557984.1324 -3.1735 -3.2275 PRESSURE: 4098000 -200.653 19.5365 110.79 19.5371 -47.0944 45.144 110.79 45.1441 -164.289 GPRESSURE: 4098000 -191.658 -29.3794 55.4362 -15.3026 20.3662 51.1668 54.9461 40.2316 -133.17 PRESSAVG: 4098000 -14.4513 -43.6398 -46.607 -43.6398 -38.5599 29.9741 -46.607 29.9742 29.7385 GPRESSAVG: 4098000 -13.895 -44.9734 -46.51 -43.2854 -39.025 29.8985 -47.4889 30.0082 29.5564 TIMING: 4098000 CPU: 12180.6, 0.00298026/step Wall: 12180.6, 0.00298026/step, 0.746721 hours remaining, 207.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4098000 813.2588 2081.0907 1939.0591 118.0305 -206449.2235 18018.2470 0.0000 0.0000 34112.8716 -149366.6658 297.9162 -183479.5374 -149264.9787 299.6714 -137.3453 -101.4872 558106.1462 -7.7576 -7.7879 PRESSURE: 4098200 -97.0649 110.582 -130.166 110.582 -259.634 30.9833 -130.168 30.984 -33.5846 GPRESSURE: 4098200 -22.0056 125.946 -210.382 37.8719 -300.838 10.4105 -87.6422 90.5181 23.5789 PRESSAVG: 4098200 -43.2978 -5.3413 39.9514 -5.34132 44.2656 20.4759 39.9513 20.4757 -56.6515 GPRESSAVG: 4098200 -42.5162 -4.70675 41.1102 -5.74187 43.788 21.2797 39.706 21.1355 -56.643 TIMING: 4098200 CPU: 12181.2, 0.00296495/step Wall: 12181.2, 0.00296495/step, 0.742719 hours remaining, 207.050781 MB of memory in use. ENERGY: 4098200 754.2998 2021.2412 1926.1689 114.8544 -206678.9260 17905.0948 0.0000 0.0000 34466.8151 -149490.4519 301.0073 -183957.2670 -149389.9679 298.7467 -130.0946 -99.7548 557460.2612 -18.5612 -18.4571 PRESSURE: 4098400 -247.59 126.157 98.0792 126.158 -84.5124 -41.8336 98.0783 -41.8333 62.5248 GPRESSURE: 4098400 -185.694 164.582 112.079 157.172 -32.6866 56.278 64.6464 -86.5632 45.8825 PRESSAVG: 4098400 -46.8092 55.1065 35.8233 55.1065 0.514844 2.22088 35.8233 2.22094 64.3667 GPRESSAVG: 4098400 -47.477 54.5032 37.4966 55.6482 1.29882 1.34309 35.1211 3.49412 64.4202 TIMING: 4098400 CPU: 12181.8, 0.00294278/step Wall: 12181.8, 0.00294278/step, 0.737004 hours remaining, 207.050781 MB of memory in use. ENERGY: 4098400 741.8206 2113.9274 1952.8889 108.5802 -206256.2015 17710.3265 0.0000 0.0000 34098.4404 -149530.2176 297.7902 -183628.6580 -149435.3297 298.8770 -89.8593 -57.4995 556438.8305 6.0241 6.0807 PRESSURE: 4098600 -202.438 37.2021 -17.3001 37.2027 -276.736 -102.484 -17.3007 -102.486 -27.3695 GPRESSURE: 4098600 -244.654 47.097 -66.5361 183.959 -221.632 -93.1303 -8.28176 -66.455 56.9283 PRESSAVG: 4098600 -31.2687 17.3026 6.57034 17.3027 -40.1296 -48.7224 6.5703 -48.7224 54.1713 GPRESSAVG: 4098600 -30.9283 17.3738 5.38458 18.4537 -39.4657 -46.5689 7.47592 -50.9613 53.991 TIMING: 4098600 CPU: 12182.4, 0.00292667/step Wall: 12182.4, 0.00292667/step, 0.732805 hours remaining, 207.050781 MB of memory in use. ENERGY: 4098600 747.3763 2135.8496 1949.6986 111.3586 -206250.1311 17592.0678 0.0000 0.0000 34334.0014 -149379.7788 299.8474 -183713.7802 -149281.0861 299.2117 -168.8478 -136.4525 556535.5964 -5.7423 -5.4676 PRESSURE: 4098800 190.4 121.839 -45.4364 121.839 201.92 9.29154 -45.436 9.29161 73.735 GPRESSURE: 4098800 251.579 67.5456 -29.9674 119.218 258.558 38.2003 2.95254 -22.2974 63.0743 PRESSAVG: 4098800 -23.3317 30.5466 -15.3158 30.5466 12.7984 -58.6808 -15.3158 -58.6807 14.2631 GPRESSAVG: 4098800 -23.1892 28.2444 -17.4323 29.8094 11.5363 -60.188 -15.6055 -58.4066 15.4203 TIMING: 4098800 CPU: 12182.9, 0.00295052/step Wall: 12182.9, 0.00295052/step, 0.738614 hours remaining, 207.050781 MB of memory in use. ENERGY: 4098800 740.4566 2130.7009 1932.4017 106.8052 -206481.0638 18042.4407 0.0000 0.0000 34109.8582 -149418.4005 297.8899 -183528.2587 -149333.2768 299.0988 155.3517 191.0707 555922.1512 1.2433 1.2558 PRESSURE: 4099000 1.90297 58.7754 -104.236 58.7765 270.273 -211.546 -104.237 -211.546 -287.695 GPRESSURE: 4099000 75.369 -13.6247 -156.295 212.437 262.306 -228.08 -40.8802 -161.369 -245.565 PRESSAVG: 4099000 -5.70147 46.9511 37.8928 46.951 14.7377 -4.49606 37.8927 -4.49601 -46.9673 GPRESSAVG: 4099000 -5.81156 48.7314 38.1125 47.0322 14.5566 -3.15397 39.7733 -4.406 -46.3853 TIMING: 4099000 CPU: 12183.5, 0.002929/step Wall: 12183.5, 0.002929/step, 0.733065 hours remaining, 207.050781 MB of memory in use. ENERGY: 4099000 714.6800 2125.5122 1926.7441 111.2721 -206042.8171 17804.6139 0.0000 0.0000 34036.5741 -149323.4209 297.2499 -183359.9950 -149225.2294 298.8784 -5.1733 30.7033 558184.7466 -12.6437 -12.5468 PRESSURE: 4099200 -145.382 85.007 -54.9957 85.0059 -211.398 -68.9039 -54.9957 -68.9038 48.677 GPRESSURE: 4099200 -129.86 60.0581 -24.8232 143.918 -170.794 -68.435 -83.229 -77.4387 80.2307 PRESSAVG: 4099200 55.4315 -22.4381 -2.33349 -22.4382 38.2697 3.01919 -2.33359 3.01923 -74.715 GPRESSAVG: 4099200 54.5805 -22.3821 -0.692627 -21.9122 39.0261 1.33434 -3.46832 6.74298 -74.4278 TIMING: 4099200 CPU: 12184.1, 0.00290533/step Wall: 12184.1, 0.00290533/step, 0.726978 hours remaining, 207.050781 MB of memory in use. ENERGY: 4099200 707.3157 2103.9076 1934.1863 117.3059 -206125.2657 17581.8023 0.0000 0.0000 34193.7989 -149486.9491 298.6230 -183680.7479 -149388.2951 298.5811 -102.7009 -73.4743 557927.7857 6.3287 6.3930 PRESSURE: 4099400 -90.8072 73.4252 -158.58 73.425 -154.219 -83.2599 -158.58 -83.262 38.1491 GPRESSURE: 4099400 -40.4359 74.3288 -72.5917 57.0989 -127.23 -91.2053 -168.251 -85.4911 63.6405 PRESSAVG: 4099400 49.8493 -20.5644 -23.8715 -20.5644 -35.8447 21.3492 -23.8714 21.3492 -35.5327 GPRESSAVG: 4099400 50.9049 -18.5841 -26.0231 -21.7704 -36.1468 21.624 -22.7641 18.4423 -36.4826 TIMING: 4099400 CPU: 12184.7, 0.00292271/step Wall: 12184.7, 0.00292271/step, 0.731164 hours remaining, 207.050781 MB of memory in use. ENERGY: 4099400 736.5474 2073.9507 1935.6251 118.1524 -205914.4628 17652.7176 0.0000 0.0000 34189.0606 -149208.4090 298.5816 -183397.4696 -149112.8294 298.6883 -68.9589 -34.6752 558611.4425 -7.1760 -7.2415 PRESSURE: 4099600 69.9888 22.5273 72.8915 22.5263 -196.975 6.83896 72.8925 6.83928 -253.554 GPRESSURE: 4099600 125.406 -85.8308 24.2667 105.027 -175.114 4.54888 107.808 -12.1682 -241.553 PRESSAVG: 4099600 63.0563 -0.934376 12.9747 -0.934372 -67.5637 24.4654 12.9747 24.4653 -8.54553 GPRESSAVG: 4099600 63.1123 -2.69113 14.8469 -0.906258 -67.7538 22.3334 10.7342 26.4779 -7.82491 TIMING: 4099600 CPU: 12185.3, 0.00295354/step Wall: 12185.3, 0.00295355/step, 0.738714 hours remaining, 207.050781 MB of memory in use. ENERGY: 4099600 749.0658 2128.8848 1934.0541 106.2131 -205953.4702 17646.7617 0.0000 0.0000 34148.3241 -149240.1666 298.2258 -183388.4908 -149144.2783 298.8162 -126.8466 -97.0869 558324.8156 -4.3510 -4.1555 PRESSURE: 4099800 12.2922 157.535 75.1663 157.535 -128.053 -118.534 75.1662 -118.536 78.2992 GPRESSURE: 4099800 70.8641 84.939 95.0895 208.113 -98.7872 -162.712 146.429 -101.333 103.135 PRESSAVG: 4099800 56.9687 0.735703 12.1099 0.735785 -41.8046 7.16098 12.11 7.16086 -24.5603 GPRESSAVG: 4099800 56.2797 3.58924 10.4189 -1.61694 -40.6015 9.35007 13.1361 6.55165 -24.6075 TIMING: 4099800 CPU: 12185.9, 0.00293576/step Wall: 12185.9, 0.00293576/step, 0.734104 hours remaining, 207.050781 MB of memory in use. ENERGY: 4099800 707.3758 2073.4513 1936.0448 118.9048 -206038.2961 17678.7819 0.0000 0.0000 34222.5566 -149301.1810 298.8741 -183523.7376 -149195.6217 298.5288 -12.4872 25.0706 557290.9876 -3.1321 -2.9764 PRESSURE: 4100000 125.902 101.384 74.4433 101.384 -184.396 37.5294 74.4438 37.5307 -49.7558 GPRESSURE: 4100000 97.9799 30.9851 21.1325 95.1876 -86.5635 -51.8743 84.0598 50.2286 -19.3254 PRESSAVG: 4100000 24.551 -16.4077 5.54783 -16.4077 2.30227 10.9234 5.54781 10.9234 -52.4081 GPRESSAVG: 4100000 24.3344 -18.0089 4.03758 -15.471 2.30389 11.6756 5.51916 10.2645 -52.0527 TIMING: 4100000 CPU: 12186.5, 0.00297139/step Wall: 12186.5, 0.00297139/step, 0.742848 hours remaining, 207.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4100000 758.0077 2072.7385 1939.3376 127.9205 -206059.3487 17683.7404 0.0000 0.0000 34191.8659 -149285.7380 298.6061 -183477.6039 -149192.7169 298.7942 -36.0833 -2.6363 557197.0919 -8.5183 -8.4715 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4100000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 4100000 WRITING COORDINATES TO RESTART FILE AT STEP 4100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4100200 -113.367 -50.3425 118.852 -50.3438 -135.543 -2.03258 118.851 -2.03122 208.349 GPRESSURE: 4100200 -27.4432 -111.508 181.487 -149.774 -133.948 130.997 -53.9654 -53.1839 218.784 PRESSAVG: 4100200 -56.198 -14.6037 -2.72727 -14.6037 8.07172 83.0119 -2.72731 83.0118 60.2833 GPRESSAVG: 4100200 -55.8426 -14.5803 0.432799 -14.3952 8.22895 82.9896 -2.59437 83.7795 59.9931 TIMING: 4100200 CPU: 12187.1, 0.00308011/step Wall: 12187.1, 0.00308011/step, 0.769857 hours remaining, 207.175781 MB of memory in use. ENERGY: 4100200 738.4986 2092.7605 1948.4636 112.1257 -206141.9500 17655.8141 0.0000 0.0000 34237.9307 -149356.3568 299.0084 -183594.2875 -149258.7125 299.2600 -13.5206 19.1312 557111.9360 4.0524 4.1265 LDB: ============= START OF LOAD BALANCING ============== 12190.6 LDB: ============== END OF LOAD BALANCING =============== 12190.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12190.6 LDB: ============= START OF LOAD BALANCING ============== 12190.9 LDB: Largest compute 4809 load 0.022895 is 19.3% of average load 0.118384 LDB: Average compute 0.001722 is 1.5% of average load 0.118384 LDB: TIME 12190.9 LOAD: AVG 0.118384 MAX 0.200708 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.594 MB LDB: TIME 12190.9 LOAD: AVG 0.118384 MAX 0.200708 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.801 MB LDB: TIME 12190.9 LOAD: AVG 0.118384 MAX 0.200708 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.801 MB LDB: ============== END OF LOAD BALANCING =============== 12190.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12190.9 PRESSURE: 4100400 -14.5718 35.261 128.035 35.261 -50.23 1.69985 128.035 1.69972 -78.8563 GPRESSURE: 4100400 76.2505 -45.1188 64.7332 -85.4344 -73.8932 -23.0548 122.832 64.4761 -37.5756 PRESSAVG: 4100400 -19.7586 -2.93716 18.1235 -2.93705 -13.9126 21.1033 18.1235 21.1033 -1.98966 GPRESSAVG: 4100400 -18.717 -3.94426 18.6705 -2.84357 -14.9292 20.4191 18.2536 19.9618 -1.93625 TIMING: 4100400 CPU: 12187.7, 0.00304151/step Wall: 12187.7, 0.00304151/step, 0.76004 hours remaining, 207.312500 MB of memory in use. ENERGY: 4100400 758.0342 2046.9040 1959.6532 118.5051 -206078.7033 17642.4552 0.0000 0.0000 34103.7193 -149449.4324 297.8363 -183553.1516 -149354.7926 298.3011 -47.8860 -11.7395 557906.8865 -11.8870 -11.8608 PRESSURE: 4100600 78.331 -4.00809 68.8297 -4.00868 -123.922 -13.7515 68.829 -13.7522 323.783 GPRESSURE: 4100600 145.722 105.674 80.0286 -31.8923 -142.157 -0.46508 112.362 -14.4542 358.028 PRESSAVG: 4100600 -14.935 4.50873 19.8731 4.50877 12.0415 -32.9253 19.8731 -32.9254 -11.2399 GPRESSAVG: 4100600 -16.2226 3.19255 19.2356 4.34531 12.9661 -30.0058 20.9802 -35.4957 -11.0269 TIMING: 4100600 CPU: 12188.3, 0.00297343/step Wall: 12188.3, 0.00297343/step, 0.742863 hours remaining, 207.515625 MB of memory in use. ENERGY: 4100600 713.5647 2123.0253 1946.7780 123.8867 -206616.5350 17979.6166 0.0000 0.0000 34176.1274 -149553.5362 298.4686 -183729.6636 -149460.1127 298.5508 92.7308 120.5312 558154.9499 -4.7111 -4.7611 PRESSURE: 4100800 -98.2374 -101.036 -220.419 -101.035 92.0755 65.8939 -220.418 65.8937 66.3584 GPRESSURE: 4100800 -52.4452 -93.9049 -220.944 -80.0678 137.02 58.7038 -265.524 126.689 83.2568 PRESSAVG: 4100800 -5.31101 -21.4566 8.05133 -21.4566 11.7103 -10.6918 8.05141 -10.6917 0.289855 GPRESSAVG: 4100800 -5.6258 -20.2688 6.59987 -20.6314 11.565 -13.3685 9.06253 -7.82251 0.557125 TIMING: 4100800 CPU: 12188.9, 0.0029397/step Wall: 12188.9, 0.0029397/step, 0.734271 hours remaining, 207.515625 MB of memory in use. ENERGY: 4100800 727.8263 2067.0741 1948.1385 119.0594 -206606.1417 18041.2404 0.0000 0.0000 34139.2706 -149563.5323 298.1467 -183702.8029 -149459.3565 298.8466 20.0655 55.9439 558726.2023 2.2297 2.1654 PRESSURE: 4101000 -204.869 -88.1482 -38.4968 -88.1476 97.2588 20.6426 -38.4978 20.6411 143.598 GPRESSURE: 4101000 -163.885 -28.5203 14.1632 -86.891 155.308 4.52608 -6.72089 -99.5724 150.541 PRESSAVG: 4101000 -37.8317 -62.331 22.0137 -62.3309 59.5427 -17.332 22.0138 -17.3321 -35.4637 GPRESSAVG: 4101000 -35.9919 -60.6274 24.2783 -63.549 58.9026 -15.0905 21.4986 -19.4304 -36.8097 TIMING: 4101000 CPU: 12189.5, 0.00294131/step Wall: 12189.5, 0.00294131/step, 0.734511 hours remaining, 207.515625 MB of memory in use. ENERGY: 4101000 719.4118 2080.0593 1929.3502 112.3981 -206481.1400 17996.7394 0.0000 0.0000 34022.0627 -149621.1186 297.1231 -183643.1813 -149520.5809 297.8946 11.9959 47.3214 558163.6822 -4.5842 -4.6330 PRESSURE: 4101200 26.7416 82.5235 -18.7743 82.5226 -55.5307 7.27009 -18.775 7.26886 62.5997 GPRESSURE: 4101200 106.808 30.8099 33.4239 141.131 -52.065 64.2438 -37.8816 -124.663 69.6995 PRESSAVG: 4101200 -12.4958 31.612 -63.6529 31.612 -24.4594 -45.9777 -63.6529 -45.9776 0.0561995 GPRESSAVG: 4101200 -12.9068 30.4878 -64.0387 32.4929 -24.3199 -48.4396 -65.738 -44.873 -0.121526 TIMING: 4101200 CPU: 12190.1, 0.002976/step Wall: 12190.1, 0.002976/step, 0.743007 hours remaining, 207.515625 MB of memory in use. ENERGY: 4101200 744.7344 2129.2610 1957.8722 113.6491 -206564.5334 17881.1913 0.0000 0.0000 34077.2411 -149660.5844 297.6050 -183737.8254 -149571.6499 297.2845 11.2702 41.4808 556035.4255 -12.2997 -12.4494 PRESSURE: 4101400 115.467 252.477 26.7501 252.477 -48.1503 26.7382 26.7492 26.74 -237.097 GPRESSURE: 4101400 132.582 237.606 27.779 229.038 -26.9821 26.505 42.084 43.1432 -187.456 PRESSAVG: 4101400 -9.65136 26.435 -20.1001 26.435 4.38004 3.06102 -20.1 3.06091 1.76133 GPRESSAVG: 4101400 -10.5287 25.1332 -20.1218 25.6235 3.83081 3.67407 -19.5472 1.68826 3.36935 TIMING: 4101400 CPU: 12190.7, 0.00297816/step Wall: 12190.7, 0.00297816/step, 0.743383 hours remaining, 207.515625 MB of memory in use. ENERGY: 4101400 722.4687 2119.4867 1960.7413 116.2612 -206058.8320 17661.1194 0.0000 0.0000 33928.2384 -149550.5163 296.3037 -183478.7548 -149454.5667 298.2252 -56.5935 -27.2855 556814.2555 -1.1700 -1.1095 PRESSURE: 4101600 -110.286 -15.5916 -15.7539 -15.5922 -122.142 48.2725 -15.7555 48.2728 107.929 GPRESSURE: 4101600 -74.5253 -56.1854 -57.2204 -9.06442 -74.4605 13.2758 31.9198 20.5869 130.221 PRESSAVG: 4101600 -24.1004 18.1285 7.18743 18.1284 -28.8038 21.7765 7.18738 21.7765 -7.63184 GPRESSAVG: 4101600 -23.9363 20.2571 8.24588 17.4806 -28.4075 23.6058 8.50089 22.2425 -7.95885 TIMING: 4101600 CPU: 12191.2, 0.00293737/step Wall: 12191.2, 0.00293738/step, 0.733038 hours remaining, 207.515625 MB of memory in use. ENERGY: 4101600 724.8692 2094.7030 1939.2196 103.1594 -206424.7809 17878.6393 0.0000 0.0000 34101.0159 -149583.1743 297.8127 -183684.1902 -149485.9481 298.3287 -41.4994 -6.2550 556295.0659 -20.1787 -20.1009 PRESSURE: 4101800 -136.34 -32.499 103.412 -32.4981 -110.622 59.773 103.41 59.7735 112.126 GPRESSURE: 4101800 -140.128 -92.4672 122.735 -19.6648 -61.9684 43.9377 96.1552 126.282 160.115 PRESSAVG: 4101800 31.0042 50.6365 -17.3466 50.6365 -45.7254 -16.7518 -17.3466 -16.7519 11.005 GPRESSAVG: 4101800 30.6238 49.4453 -17.9138 53.668 -45.6527 -19.3404 -19.5893 -14.7241 11.3461 TIMING: 4101800 CPU: 12191.8, 0.00297311/step Wall: 12191.8, 0.00297311/step, 0.74179 hours remaining, 207.515625 MB of memory in use. ENERGY: 4101800 747.9175 2034.9615 1920.0309 108.7037 -206623.3683 17929.6848 0.0000 0.0000 34430.9336 -149451.1364 300.6939 -183882.0700 -149358.2413 298.1413 -44.9456 -13.9939 555872.6958 -1.2387 -1.2276 PRESSURE: 4102000 -182.076 -60.7547 -13.209 -60.7538 -138.284 -69.8968 -13.2083 -69.8984 20.5989 GPRESSURE: 4102000 -173.562 -105.904 -5.53253 61.3367 -88.107 -55.1866 2.35832 -23.8935 72.5526 PRESSAVG: 4102000 4.49055 33.5235 58.946 33.5234 -5.45902 12.0081 58.946 12.008 2.52884 GPRESSAVG: 4102000 4.40556 34.3962 59.8727 32.7679 -5.91434 12.1723 60.1287 12.7451 3.23319 TIMING: 4102000 CPU: 12192.4, 0.00293672/step Wall: 12192.4, 0.00293672/step, 0.732547 hours remaining, 207.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4102000 789.7344 2018.0445 1920.5152 111.5449 -206171.3637 17684.7912 0.0000 0.0000 34117.0790 -149529.6547 297.9529 -183646.7336 -149432.8078 299.2258 -99.9204 -63.0387 558323.5890 0.5201 0.5748 PRESSURE: 4102200 60.9691 157.871 -128.676 157.872 -118.287 -32.8303 -128.677 -32.8301 333.596 GPRESSURE: 4102200 77.5446 244.571 -149.808 25.4715 -49.7858 -32.0914 -97.4009 -23.3162 343.239 PRESSAVG: 4102200 64.8004 -9.77698 -40.7391 -9.77699 -39.102 51.0821 -40.7391 51.0821 22.4873 GPRESSAVG: 4102200 64.9988 -11.7264 -41.8417 -9.89361 -38.8955 51.5574 -42.1056 48.5367 21.6626 TIMING: 4102200 CPU: 12193, 0.00294256/step Wall: 12193, 0.00294256/step, 0.733842 hours remaining, 207.515625 MB of memory in use. ENERGY: 4102200 735.1175 2085.1311 1935.8190 113.3260 -206285.5374 17891.2280 0.0000 0.0000 34070.1184 -149454.7975 297.5428 -183524.9159 -149362.4564 298.5638 92.0927 123.6659 556339.9210 16.0619 15.9220 PRESSURE: 4102400 11.0399 61.3373 -93.6113 61.3388 -7.44206 48.2947 -93.6109 48.2949 -149.111 GPRESSURE: 4102400 16.8038 12.6185 -92.3752 94.6388 7.39369 36.007 -123.744 -11.2042 -83.3244 PRESSAVG: 4102400 30.9695 -12.3449 18.1129 -12.345 -45.2539 17.1464 18.1129 17.1465 50.7074 GPRESSAVG: 4102400 30.3718 -9.02729 16.3014 -15.0416 -44.4939 16.7079 19.0782 18.242 50.5819 TIMING: 4102400 CPU: 12193.6, 0.00294118/step Wall: 12193.6, 0.00294118/step, 0.733335 hours remaining, 207.515625 MB of memory in use. ENERGY: 4102400 771.4507 2120.7475 1931.1914 111.7534 -206331.8117 17842.3226 0.0000 0.0000 34279.4704 -149274.8757 299.3711 -183554.3461 -149181.0362 299.3756 -48.5043 -19.7090 557176.4007 12.1410 12.1533 PRESSURE: 4102600 4.62227 29.1089 72.9104 29.1089 -39.1694 2.97499 72.9097 2.97425 -25.2333 GPRESSURE: 4102600 14.3209 71.7702 166.264 -23.6385 -12.8591 -24.2269 60.594 -89.3083 38.1051 PRESSAVG: 4102600 40.4759 17.9534 -59.5344 17.9535 -26.5854 -59.2701 -59.5343 -59.2701 -32.9211 GPRESSAVG: 4102600 41.1615 16.5355 -58.5117 19.4107 -28.0513 -61.9725 -58.707 -59.3165 -31.3425 TIMING: 4102600 CPU: 12194.2, 0.00295004/step Wall: 12194.2, 0.00295004/step, 0.735381 hours remaining, 207.515625 MB of memory in use. ENERGY: 4102600 775.8157 2081.3467 1932.3531 118.8117 -206091.0754 17845.8299 0.0000 0.0000 34139.2031 -149197.7151 298.1462 -183336.9182 -149102.8559 299.2681 -19.9268 13.1890 557322.3110 -6.3435 -6.0774 PRESSURE: 4102800 290.897 -254.496 -118.269 -254.496 121.139 81.1621 -118.27 81.1617 112.993 GPRESSURE: 4102800 285.526 -276.388 -62.9584 -303.482 158.454 182.529 -124.859 6.82603 191.722 PRESSAVG: 4102800 -48.6136 3.60265 -4.11953 3.60264 -8.48868 -2.39703 -4.11953 -2.39699 26.9374 GPRESSAVG: 4102800 -48.4411 3.30168 -4.59741 3.79617 -7.16178 1.14249 -2.5907 -2.4256 25.6253 TIMING: 4102800 CPU: 12194.8, 0.00296153/step Wall: 12194.8, 0.00296153/step, 0.738079 hours remaining, 207.515625 MB of memory in use. ENERGY: 4102800 740.6494 2111.4159 1946.1192 117.0331 -206636.8546 18103.4528 0.0000 0.0000 34489.3576 -149128.8265 301.2041 -183618.1841 -149030.5484 299.9312 175.0096 211.9008 555455.8696 -10.0550 -9.9925 PRESSURE: 4103000 231.833 13.4672 -91.7039 13.4673 171.114 29.2608 -91.703 29.2611 -174.646 GPRESSURE: 4103000 270.092 -47.3936 -56.9781 -16.0852 156.004 11.9227 -146.664 49.4643 -110.9 PRESSAVG: 4103000 -3.6453 -6.85705 -12.4249 -6.85696 37.688 -32.7717 -12.425 -32.7716 33.4511 GPRESSAVG: 4103000 -2.76124 -7.28105 -10.8324 -6.97357 35.5511 -32.6455 -15.3867 -34.3356 34.7405 TIMING: 4103000 CPU: 12195.4, 0.00294056/step Wall: 12195.4, 0.00294056/step, 0.73269 hours remaining, 207.515625 MB of memory in use. ENERGY: 4103000 750.7359 2128.7091 1948.7255 112.7804 -206179.1600 17888.8751 0.0000 0.0000 34116.0948 -149233.2392 297.9443 -183349.3340 -149135.9859 299.7119 76.1005 105.0654 556144.7266 22.4979 22.5101 PRESSURE: 4103200 -19.8897 -66.6601 -67.232 -66.6607 -163.933 225.775 -67.2312 225.775 124.537 GPRESSURE: 4103200 -32.4097 -97.2373 -58.7618 -22.6411 -120.988 291.392 -12.502 163.926 183.515 PRESSAVG: 4103200 12.8633 -4.54111 -4.37442 -4.54104 9.25726 58.6023 -4.3744 58.6023 8.84245 GPRESSAVG: 4103200 12.7043 -4.07048 -3.23461 -5.10388 10.121 57.2389 -5.17863 60.2086 7.60934 TIMING: 4103200 CPU: 12196, 0.0029363/step Wall: 12196, 0.0029363/step, 0.731464 hours remaining, 207.515625 MB of memory in use. ENERGY: 4103200 738.4003 2133.5470 1953.2773 109.3818 -205998.2288 17704.7862 0.0000 0.0000 34286.1584 -149072.6777 299.4295 -183358.8361 -148974.7155 299.2746 -19.7621 10.0394 557868.5552 10.3210 10.1449 PRESSURE: 4103400 -257.886 -48.6932 116.653 -48.6943 -28.1977 -84.657 116.653 -84.6575 -409.901 GPRESSURE: 4103400 -192.87 -82.342 58.2125 56.1082 1.04827 -42.7434 41.1451 -177.509 -405.119 PRESSAVG: 4103400 11.8637 -18.6017 -9.69048 -18.6017 6.62448 -36.5436 -9.69044 -36.5436 -1.95203 GPRESSAVG: 4103400 12.4342 -16.5904 -11.7781 -19.8304 5.7344 -35.9157 -9.6613 -38.0895 -1.88102 TIMING: 4103400 CPU: 12196.6, 0.00294195/step Wall: 12196.6, 0.00294195/step, 0.73271 hours remaining, 207.515625 MB of memory in use. ENERGY: 4103400 770.8443 2123.6161 1933.5936 116.1428 -206014.2063 17582.2623 0.0000 0.0000 34213.4724 -149274.2748 298.7948 -183487.7472 -149173.8770 299.6015 -231.9949 -198.9803 558478.4806 5.5120 5.4292 PRESSURE: 4103600 -48.524 -129.709 43.7384 -129.709 105.584 95.1654 43.7384 95.1651 43.9908 GPRESSURE: 4103600 -44.5554 -157.358 21.9787 -39.2972 169.157 103.777 8.54437 62.0743 71.5667 PRESSAVG: 4103600 -0.244277 -38.922 38.9637 -38.9221 24.5592 -39.1344 38.9637 -39.1343 -14.1849 GPRESSAVG: 4103600 -1.68787 -41.0146 40.8398 -38.0898 26.977 -38.2132 39.0708 -39.2008 -14.5275 TIMING: 4103600 CPU: 12197.1, 0.00292063/step Wall: 12197.1, 0.00292063/step, 0.727236 hours remaining, 207.515625 MB of memory in use. ENERGY: 4103600 731.6369 2088.2790 1967.2412 112.9207 -206298.5733 18009.2707 0.0000 0.0000 34338.1049 -149051.1200 299.8832 -183389.2249 -148955.8268 299.7301 33.6835 65.3894 557822.3922 3.3767 3.5872 PRESSURE: 4103800 149.933 10.4161 18.396 10.417 -53.8603 -37.4035 18.3958 -37.4048 -25.2494 GPRESSURE: 4103800 136.03 -31.784 42.1218 53.9183 13.4243 -24.173 5.07402 14.1603 21.0061 PRESSAVG: 4103800 -13.8467 -42.155 11.2958 -42.155 50.534 6.89017 11.2958 6.89012 -0.767292 GPRESSAVG: 4103800 -13.2182 -42.0738 10.8349 -41.0923 49.3685 4.46374 10.3703 7.48627 -0.24965 TIMING: 4103800 CPU: 12197.7, 0.00297185/step Wall: 12197.7, 0.00297185/step, 0.739825 hours remaining, 207.515625 MB of memory in use. ENERGY: 4103800 737.6174 2051.8383 1934.5751 124.2901 -206162.0282 17834.9937 0.0000 0.0000 34426.3544 -149052.3591 300.6539 -183478.7135 -148949.1848 300.3953 23.6077 56.8203 557658.4585 11.9734 11.9669 PRESSURE: 4104000 -151.962 -200.3 -95.014 -200.301 -244.525 83.3772 -95.0147 83.3787 -223.468 GPRESSURE: 4104000 -161.721 -114.951 -100.121 -208.436 -147.628 137.964 -144.885 34.8143 -202.833 PRESSAVG: 4104000 24.247 -3.31885 -50.7655 -3.3189 -29.4239 -41.0273 -50.7655 -41.0273 -27.287 GPRESSAVG: 4104000 22.8328 -3.85209 -50.6529 -4.0701 -26.9454 -41.0941 -50.7391 -39.3262 -28.4077 TIMING: 4104000 CPU: 12198.3, 0.00296788/step Wall: 12198.3, 0.00296788/step, 0.738672 hours remaining, 207.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4104000 751.8084 2042.9041 1956.2724 110.5077 -205611.7449 17433.0782 0.0000 0.0000 34384.8901 -148932.2840 300.2918 -183317.1741 -148841.5079 300.3012 -206.6513 -170.7273 558477.2377 -10.8213 -10.8401 PRESSURE: 4104200 -201.157 -47.7122 -15.8608 -47.7115 -9.92954 -41.8247 -15.8618 -41.8249 102.408 GPRESSURE: 4104200 -159.207 -78.3268 5.94914 -77.0657 49.4722 -124.626 -79.6093 -9.44991 105.312 PRESSAVG: 4104200 5.14989 -5.33646 -6.13646 -5.33647 -6.91688 46.816 -6.13644 46.8157 -36.5969 GPRESSAVG: 4104200 5.90877 -4.47704 -5.62131 -4.18352 -7.69593 48.8975 -5.91387 44.4186 -35.763 TIMING: 4104200 CPU: 12198.9, 0.00296353/step Wall: 12198.9, 0.00296353/step, 0.737426 hours remaining, 207.515625 MB of memory in use. ENERGY: 4104200 727.5614 2087.5833 1934.0832 108.5977 -205720.9832 17655.4438 0.0000 0.0000 34293.0674 -148914.6465 299.4899 -183207.7139 -148818.3442 299.7681 -36.2263 -1.4745 558666.2735 -12.7879 -12.5167 LDB: ============= START OF LOAD BALANCING ============== 12202.5 LDB: ============== END OF LOAD BALANCING =============== 12202.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12202.5 LDB: ============= START OF LOAD BALANCING ============== 12202.8 LDB: Largest compute 4809 load 0.023571 is 19.9% of average load 0.118291 LDB: Average compute 0.001730 is 1.5% of average load 0.118291 LDB: TIME 12202.8 LOAD: AVG 0.118291 MAX 0.196148 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.055 MB LDB: TIME 12202.8 LOAD: AVG 0.118291 MAX 0.196148 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.117 MB LDB: TIME 12202.8 LOAD: AVG 0.118291 MAX 0.196148 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.117 MB LDB: ============== END OF LOAD BALANCING =============== 12202.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12202.8 PRESSURE: 4104400 32.8586 -128.62 99.8471 -128.618 20.7651 -92.4376 99.8475 -92.4379 -106.188 GPRESSURE: 4104400 87.3021 -246.188 53.8224 48.7309 31.642 -219.381 47.8862 18.2496 -67.8587 PRESSAVG: 4104400 86.7874 -47.4946 -57.0954 -47.4947 -48.755 15.2352 -57.0954 15.235 -65.8799 GPRESSAVG: 4104400 88.0835 -48.3998 -58.8491 -47.8834 -50.19 16.0213 -55.3346 16.6504 -65.4467 TIMING: 4104400 CPU: 12199.5, 0.00300156/step Wall: 12199.5, 0.00300156/step, 0.746722 hours remaining, 206.542969 MB of memory in use. ENERGY: 4104400 736.8594 2112.2683 1937.3846 110.6906 -206038.8375 17816.2455 0.0000 0.0000 34432.9148 -148892.4743 300.7112 -183325.3891 -148795.3721 300.3942 -17.5215 17.0285 558701.1899 -9.2825 -9.1844 PRESSURE: 4104600 63.6316 42.6846 -74.8143 42.6843 169.954 70.4955 -74.8149 70.4956 375.591 GPRESSURE: 4104600 83.4701 0.993383 -152.253 72.9862 235.417 2.25027 22.8801 107.006 380.28 PRESSAVG: 4104600 -4.16066 44.2392 -40.1324 44.2391 0.825471 15.912 -40.1324 15.9122 4.49457 GPRESSAVG: 4104600 -4.95929 45.2394 -38.1942 43.8169 2.48339 17.0899 -40.6901 13.4067 3.77873 TIMING: 4104600 CPU: 12200.1, 0.00292205/step Wall: 12200.1, 0.00292205/step, 0.72678 hours remaining, 206.742188 MB of memory in use. ENERGY: 4104600 746.6743 2049.4942 1938.9987 116.7313 -206131.9811 18028.6486 0.0000 0.0000 34286.0351 -148965.3990 299.4285 -183251.4341 -148868.7797 299.9835 203.0588 233.0556 557953.3418 0.3865 0.4343 PRESSURE: 4104800 163.15 -15.5655 -53.2601 -15.5659 202.589 -134.878 -53.2601 -134.879 88.4113 GPRESSURE: 4104800 172.727 -11.5267 14.8681 -32.4101 214.877 -162.897 -105.506 -108.178 165.603 PRESSAVG: 4104800 -43.9507 4.23308 -52.4055 4.23311 -58.7504 -32.1498 -52.4056 -32.1499 63.7186 GPRESSAVG: 4104800 -44.6376 4.48994 -51.7378 3.5471 -59.5994 -35.9003 -54.8654 -29.2978 65.5115 TIMING: 4104800 CPU: 12200.7, 0.00292663/step Wall: 12200.7, 0.00292663/step, 0.727756 hours remaining, 206.742188 MB of memory in use. ENERGY: 4104800 731.2897 2064.9065 1940.1997 116.2346 -206470.9380 18061.1841 0.0000 0.0000 34508.3111 -149048.8122 301.3697 -183557.1233 -148947.1284 299.6778 151.3835 184.4024 556575.7798 -12.9941 -12.9085 PRESSURE: 4105000 -34.9594 99.1256 114.56 99.1271 -5.51058 -101.77 114.561 -101.77 -430.593 GPRESSURE: 4105000 -38.7532 157.964 203.812 89.2661 33.8101 -155.142 -4.71652 -47.8198 -385.142 PRESSAVG: 4105000 36.1181 5.2727 -21.5031 5.27267 -46.6165 -28.1254 -21.5032 -28.1254 -3.84013 GPRESSAVG: 4105000 36.9113 5.46831 -22.4512 7.0574 -47.0977 -26.0499 -20.2534 -27.8062 -4.4898 TIMING: 4105000 CPU: 12201.3, 0.00294384/step Wall: 12201.3, 0.00294384/step, 0.731871 hours remaining, 206.742188 MB of memory in use. ENERGY: 4105000 805.0937 2121.5649 1886.2002 105.5646 -206138.0259 17871.6940 0.0000 0.0000 34370.8825 -148977.0259 300.1695 -183347.9085 -148882.4395 299.8824 -157.0211 -130.0282 558930.4902 -4.7795 -4.8921 PRESSURE: 4105200 -166.265 122.582 -51.9274 122.582 -145.79 25.7367 -51.9283 25.736 8.5324 GPRESSURE: 4105200 -193.688 -16.1066 4.12584 206.722 3.80131 -21.9285 -112.02 124.868 -21.3135 PRESSAVG: 4105200 -15.4231 29.5905 21.588 29.5905 8.81523 -62.877 21.5881 -62.8771 0.390764 GPRESSAVG: 4105200 -15.1571 26.3519 20.0143 30.3343 9.13095 -65.7971 22.5841 -61.2565 -0.102127 TIMING: 4105200 CPU: 12201.9, 0.00292645/step Wall: 12201.9, 0.00292645/step, 0.727386 hours remaining, 206.742188 MB of memory in use. ENERGY: 4105200 770.9305 2047.4529 1916.4405 113.6751 -206234.9519 17791.5165 0.0000 0.0000 34638.8592 -148956.0771 302.5098 -183594.9363 -148856.2367 299.8685 -101.1740 -70.4001 557820.2963 -2.0724 -2.0428 PRESSURE: 4105400 -29.1739 -68.4835 -69.1219 -68.4859 -110.669 -49.1421 -69.1217 -49.1414 -33.6365 GPRESSURE: 4105400 -11.1135 -49.5886 -36.7013 -31.1534 -78.7492 1.70751 -67.7218 -27.079 20.8775 PRESSAVG: 4105400 -32.7201 -19.71 -7.78912 -19.7101 62.3385 35.063 -7.78906 35.063 -8.91864 GPRESSAVG: 4105400 -33.08 -17.8105 -5.8764 -20.2512 62.4739 36.7243 -9.31553 32.8611 -8.1592 TIMING: 4105400 CPU: 12202.4, 0.00294297/step Wall: 12202.4, 0.00294297/step, 0.731329 hours remaining, 206.742188 MB of memory in use. ENERGY: 4105400 763.6549 2100.5533 1933.6166 109.2781 -206043.8980 17724.2407 0.0000 0.0000 34504.5663 -148907.9882 301.3370 -183412.5544 -148808.3232 300.2023 -57.8264 -22.9950 558149.4660 6.8999 7.0783 PRESSURE: 4105600 67.964 -105.179 -84.7696 -105.179 153.915 259.018 -84.7695 259.017 169.969 GPRESSURE: 4105600 83.0293 -51.4048 -78.1119 -70.2089 157.275 249.501 -103.704 208.234 249.898 PRESSAVG: 4105600 -6.84096 -52.7209 -40.0615 -52.7208 42.7765 28.1178 -40.0615 28.1179 -33.3001 GPRESSAVG: 4105600 -6.30592 -50.5246 -42.3072 -54.3451 42.147 29.3574 -38.3644 26.5215 -33.3038 TIMING: 4105600 CPU: 12203, 0.00294228/step Wall: 12203, 0.00294228/step, 0.730993 hours remaining, 206.742188 MB of memory in use. ENERGY: 4105600 705.1069 2039.3272 1926.8596 122.9632 -205817.6734 17762.8693 0.0000 0.0000 34252.1881 -149008.3591 299.1329 -183260.5472 -148916.5729 299.6730 130.6161 163.4006 557807.8443 0.8785 0.8458 PRESSURE: 4105800 -151.206 -36.2108 19.9353 -36.2116 -85.1479 -164.394 19.9363 -164.393 185.024 GPRESSURE: 4105800 -57.1409 1.70706 22.2413 -118.811 -164.433 -154.64 -36.784 -150.323 254.814 PRESSAVG: 4105800 33.2978 -70.6967 2.93453 -70.6967 -15.961 -16.204 2.93457 -16.2039 -24.0624 GPRESSAVG: 4105800 33.7884 -71.8694 4.13284 -67.9854 -15.8968 -18.5207 1.84218 -15.2211 -24.7129 TIMING: 4105800 CPU: 12203.6, 0.00292783/step Wall: 12203.6, 0.00292783/step, 0.727241 hours remaining, 206.742188 MB of memory in use. ENERGY: 4105800 716.1300 2070.4911 1919.2480 111.6503 -205775.8313 17762.9225 0.0000 0.0000 34166.8273 -149028.5621 298.3874 -183195.3894 -148938.8526 299.7323 -17.1100 11.0802 558656.7693 -2.2419 -2.2738 PRESSURE: 4106000 134.331 -126.758 102.845 -126.758 121.26 -141.084 102.846 -141.084 -31.3472 GPRESSURE: 4106000 143.216 -217.9 117.163 -108.408 142.709 -105.439 92.961 -103.246 36.3612 PRESSAVG: 4106000 -17.366 -16.2199 36.6512 -16.2199 -12.2889 -1.88324 36.6513 -1.88326 8.17093 GPRESSAVG: 4106000 -16.2536 -16.0656 35.4137 -17.0537 -12.9934 -0.491541 37.6204 -1.19546 7.51782 TIMING: 4106000 CPU: 12204.2, 0.00295679/step Wall: 12204.2, 0.00295679/step, 0.734271 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4106000 732.8587 2057.8571 1932.1253 111.7151 -205949.6547 17748.8790 0.0000 0.0000 34470.1958 -148896.0236 301.0368 -183366.2194 -148807.7487 299.9663 74.7480 107.4285 558758.0766 -7.1613 -7.2431 PRESSURE: 4106200 258.605 -34.1178 -145.798 -34.1172 222.002 -49.5567 -145.799 -49.558 -1.0749 GPRESSURE: 4106200 247.728 -108.793 -143.079 15.7761 291.864 -185.951 -85.5684 -29.6504 58.2791 PRESSAVG: 4106200 -4.77697 -6.65909 13.749 -6.65913 -18.7733 -3.99701 13.749 -3.99706 13.0196 GPRESSAVG: 4106200 -6.81262 -4.96038 16.0321 -8.50122 -17.274 -3.79951 12.4352 -4.89421 14.2622 TIMING: 4106200 CPU: 12204.8, 0.00296102/step Wall: 12204.8, 0.00296102/step, 0.735156 hours remaining, 206.742188 MB of memory in use. ENERGY: 4106200 765.3585 2119.4591 1915.2111 107.2729 -206271.3274 18104.3925 0.0000 0.0000 34419.3982 -148840.2352 300.5932 -183259.6333 -148738.2922 300.1576 159.8441 199.2903 557716.8965 -3.5102 -3.2748 PRESSURE: 4106400 30.766 274.592 -87.3755 274.593 7.24577 -161.769 -87.3763 -161.771 -207.763 GPRESSURE: 4106400 61.4951 226.67 -129.266 305.089 47.7177 -166.161 -75.8796 -152.338 -182.4 PRESSAVG: 4106400 31.642 14.8609 -29.1864 14.8609 -19.0096 -6.22405 -29.1864 -6.22403 -11.6681 GPRESSAVG: 4106400 30.5662 14.9493 -31.2168 16.6575 -19.0508 -6.89511 -28.0155 -4.43362 -10.9315 TIMING: 4106400 CPU: 12205.4, 0.00297281/step Wall: 12205.4, 0.00297281/step, 0.737917 hours remaining, 206.742188 MB of memory in use. ENERGY: 4106400 760.2929 2100.5085 1946.4531 107.7813 -206092.6870 17737.4849 0.0000 0.0000 34466.3104 -148973.8557 301.0029 -183440.1662 -148880.8383 300.4971 -56.5838 -24.3956 557004.4499 0.3214 0.1946 PRESSURE: 4106600 -16.5954 -81.2049 -54.7447 -81.2061 -297.114 -21.8174 -54.7457 -21.8181 2.57264 GPRESSURE: 4106600 -24.3959 20.0085 -47.658 -150.931 -274.311 -84.8432 -57.8183 -80.9637 89.7238 PRESSAVG: 4106600 32.2126 29.9382 -64.7593 29.9382 4.17277 12.9068 -64.7593 12.9068 -26.6918 GPRESSAVG: 4106600 33.4573 27.9255 -63.675 29.0987 4.73 13.9775 -65.22 10.3141 -27.8594 TIMING: 4106600 CPU: 12206, 0.0029362/step Wall: 12206, 0.0029362/step, 0.728668 hours remaining, 206.742188 MB of memory in use. ENERGY: 4106600 739.5974 2104.9920 1938.8692 111.1289 -205990.0972 17683.3980 0.0000 0.0000 34250.2709 -149161.8409 299.1161 -183412.1118 -149063.7104 299.8185 -103.7121 -69.6611 558720.0275 3.2312 3.4426 PRESSURE: 4106800 -161.382 49.0481 94.5287 49.0476 -308.92 -150.071 94.5279 -150.072 -114.947 GPRESSURE: 4106800 -148.935 65.6022 104.702 159.183 -258.317 -194.973 148.595 -150.135 -73.8223 PRESSAVG: 4106800 10.9974 4.52653 -17.7431 4.52656 -66.264 -44.0888 -17.7432 -44.0887 71.62 GPRESSAVG: 4106800 11.5495 3.58619 -17.8884 5.75372 -66.2903 -43.8637 -16.8743 -44.9562 71.0029 TIMING: 4106800 CPU: 12206.6, 0.00294493/step Wall: 12206.6, 0.00294493/step, 0.730669 hours remaining, 206.742188 MB of memory in use. ENERGY: 4106800 721.7616 2089.5008 1951.2623 128.6225 -205747.9737 17571.6985 0.0000 0.0000 34230.0736 -149055.0543 298.9397 -183285.1279 -148957.2806 299.3600 -195.0830 -160.3581 558869.9475 5.4511 5.4207 PRESSURE: 4107000 75.9871 -145.618 -336.454 -145.617 15.8648 160.689 -336.454 160.69 -45.1441 GPRESSURE: 4107000 149.625 -138.852 -375.394 -107.123 15.6038 84.4006 -313.405 227.768 -35.9015 PRESSAVG: 4107000 -83.8746 -19.7083 1.54175 -19.7083 -79.1934 -9.18974 1.54186 -9.18968 148 GPRESSAVG: 4107000 -84.2043 -18.2671 1.95626 -20.5151 -79.4433 -10.1659 0.905797 -6.35069 148.34 TIMING: 4107000 CPU: 12207.2, 0.0029518/step Wall: 12207.2, 0.0029518/step, 0.73221 hours remaining, 206.742188 MB of memory in use. ENERGY: 4107000 747.3566 2092.2451 1947.9167 108.2918 -205960.7269 17866.3422 0.0000 0.0000 34196.7279 -149001.8466 298.6485 -183198.5745 -148908.1528 299.9829 15.5692 43.1090 556722.4604 -5.0226 -5.1024 PRESSURE: 4107200 451.379 119.774 -177.489 119.774 -56.5007 -113.631 -177.489 -113.632 207.068 GPRESSURE: 4107200 458.24 129.106 -282.517 134.676 -6.73566 -141.07 -90.376 -94.9913 252.244 PRESSAVG: 4107200 -0.512957 27.4474 -36.6964 27.4473 14.6841 34.5634 -36.6965 34.5633 -49.4087 GPRESSAVG: 4107200 -0.776109 28.9219 -39.0431 24.5474 15.5105 34.2355 -36.5528 33.4268 -50.2973 TIMING: 4107200 CPU: 12207.8, 0.00295092/step Wall: 12207.8, 0.00295092/step, 0.731829 hours remaining, 206.742188 MB of memory in use. ENERGY: 4107200 709.2012 2054.8477 1938.4076 115.3047 -205989.1553 17772.6593 0.0000 0.0000 34204.9350 -149193.7999 298.7202 -183398.7349 -149087.6671 299.5135 200.6487 234.5826 555876.9957 -11.7459 -11.8543 PRESSURE: 4107400 171.344 117.092 153.462 117.092 -55.5001 -11.1077 153.461 -11.1065 -109.723 GPRESSURE: 4107400 203.729 98.0584 175.617 69.9183 -37.1911 -4.24788 122.328 11.3592 -81.1996 PRESSAVG: 4107400 28.1505 8.46489 6.83632 8.4649 -70.5728 -14.463 6.83635 -14.4629 14.3745 GPRESSAVG: 4107400 28.0939 8.56992 7.96239 9.23959 -71.436 -14.7172 6.8483 -16.3949 15.1827 TIMING: 4107400 CPU: 12208.3, 0.00293038/step Wall: 12208.3, 0.00293038/step, 0.726571 hours remaining, 206.742188 MB of memory in use. ENERGY: 4107400 728.1372 2103.0923 1953.4162 109.3737 -206157.6984 17659.1701 0.0000 0.0000 34426.8612 -149177.6477 300.6583 -183604.5089 -149079.2824 299.2055 2.0401 28.4462 556224.0188 -9.3493 -9.3865 PRESSURE: 4107600 268.262 -1.05876 189.376 -1.05913 161.063 51.6331 189.378 51.6333 201.352 GPRESSURE: 4107600 324.759 -30.4872 191.26 71.7365 191.155 84.4016 144.727 57.4965 211.582 PRESSAVG: 4107600 66.0376 -51.0102 -2.84019 -51.0101 -42.4636 -16.6782 -2.84035 -16.6782 -11.6823 GPRESSAVG: 4107600 66.0478 -52.9593 -2.1044 -50.5894 -43.1245 -16.0655 -3.78647 -14.472 -10.6157 TIMING: 4107600 CPU: 12208.9, 0.0029148/step Wall: 12208.9, 0.0029148/step, 0.722547 hours remaining, 206.742188 MB of memory in use. ENERGY: 4107600 730.3484 2089.7291 1934.6790 116.7301 -206113.4086 18049.9102 0.0000 0.0000 34102.0414 -149089.9704 297.8216 -183192.0118 -148996.6716 299.4678 210.2256 242.4984 557428.7766 3.9639 4.1025 PRESSURE: 4107800 315.202 -6.75022 8.76757 -6.7491 169.142 -91.9554 8.76814 -91.9557 201.261 GPRESSURE: 4107800 384.09 -7.11081 69.2903 47.3525 131.52 -107.9 -108.816 -73.1189 272.318 PRESSAVG: 4107800 -47.9157 -36.3818 -50.2908 -36.3818 11.0204 -6.45895 -50.2909 -6.45888 -4.10617 GPRESSAVG: 4107800 -47.9413 -36.8378 -49.6583 -36.3884 12.0845 -6.60338 -50.8783 -5.37459 -4.67824 TIMING: 4107800 CPU: 12209.5, 0.00292275/step Wall: 12209.5, 0.00292275/step, 0.724354 hours remaining, 206.742188 MB of memory in use. ENERGY: 4107800 747.2822 2017.1403 1934.9287 118.6489 -206469.6990 18167.4661 0.0000 0.0000 34376.6779 -149107.5549 300.2201 -183484.2328 -149014.4555 299.1534 228.5348 262.6429 556356.8923 -13.6672 -13.5117 PRESSURE: 4108000 -204.401 -12.2938 132.468 -12.2947 -21.3817 -17.6878 132.469 -17.6868 -52.1709 GPRESSURE: 4108000 -170.949 -54.1155 159.603 -5.22484 5.40904 -131.346 140.965 22.0106 -16.2746 PRESSAVG: 4108000 37.1237 -55.3277 34.854 -55.3277 -16.3005 -25.2661 34.854 -25.266 0.567264 GPRESSAVG: 4108000 36.6766 -54.4333 33.7978 -55.7326 -16.1226 -25.8611 35.3156 -26.9293 0.063133 TIMING: 4108000 CPU: 12210.1, 0.00291585/step Wall: 12210.1, 0.00291585/step, 0.722482 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4108000 743.0546 2095.6519 1928.3226 117.3294 -205924.4699 17682.8454 0.0000 0.0000 34383.4541 -148973.8120 300.2793 -183357.2660 -148874.8742 299.5587 -92.6512 -60.6049 557713.7655 7.1302 6.8724 PRESSURE: 4108200 298.388 -34.2957 110.938 -34.2959 -99.4065 -16.133 110.937 -16.1319 218.119 GPRESSURE: 4108200 357.54 -37.4686 166.489 -74.4589 -67.4507 -12.8587 51.2307 -9.73312 226.507 PRESSAVG: 4108200 -68.6515 14.0683 5.74507 14.0684 38.9563 -41.8834 5.74502 -41.8834 46.2368 GPRESSAVG: 4108200 -68.244 11.5347 4.92142 14.8806 38.2697 -43.6961 6.2522 -39.8032 46.4455 TIMING: 4108200 CPU: 12210.7, 0.00292938/step Wall: 12210.7, 0.00292938/step, 0.725673 hours remaining, 206.742188 MB of memory in use. ENERGY: 4108200 738.1397 2064.5222 1925.9685 119.7013 -206486.3715 18047.8334 0.0000 0.0000 34556.3568 -149033.8496 301.7893 -183590.2064 -148941.7079 300.3006 139.0335 172.1988 556573.9807 5.5139 5.4904 LDB: ============= START OF LOAD BALANCING ============== 12214.2 LDB: ============== END OF LOAD BALANCING =============== 12214.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12214.2 LDB: ============= START OF LOAD BALANCING ============== 12214.5 LDB: Largest compute 4809 load 0.023311 is 19.7% of average load 0.118306 LDB: Average compute 0.001722 is 1.5% of average load 0.118306 LDB: TIME 12214.5 LOAD: AVG 0.118306 MAX 0.197157 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.316 MB LDB: TIME 12214.5 LOAD: AVG 0.118306 MAX 0.197157 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.316 MB LDB: TIME 12214.5 LOAD: AVG 0.118306 MAX 0.197157 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.316 MB LDB: ============== END OF LOAD BALANCING =============== 12214.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12214.5 PRESSURE: 4108400 275.174 147.529 -139.465 147.528 -393.318 -206.323 -139.466 -206.322 -132.047 GPRESSURE: 4108400 256.597 41.0784 -232.903 180.76 -330.616 -106.45 -123.943 -241.746 -86.6092 PRESSAVG: 4108400 35.9347 -45.2932 13.7129 -45.2932 18.4934 -50.5672 13.7128 -50.5672 -51.0287 GPRESSAVG: 4108400 35.767 -43.2605 15.1054 -47.3379 18.8189 -49.5076 12.1593 -50.3498 -51.2956 TIMING: 4108400 CPU: 12211.3, 0.00297312/step Wall: 12211.3, 0.00297312/step, 0.736344 hours remaining, 207.253906 MB of memory in use. ENERGY: 4108400 750.4136 2081.5207 1915.2045 120.7815 -206047.1022 17764.9618 0.0000 0.0000 34434.4852 -148979.7349 300.7249 -183414.2201 -148885.2717 300.7406 -83.3971 -53.5428 557519.2315 1.1332 1.0968 PRESSURE: 4108600 -324.578 67.6507 -191.083 67.6504 21.2352 -136.784 -191.083 -136.785 5.14399 GPRESSURE: 4108600 -267.545 93.0466 -153.233 89.458 52.1283 -142.675 -183.668 -224.353 15.7477 PRESSAVG: 4108600 -0.44158 30.5877 -5.37931 30.5876 -11.1226 -22.4293 -5.37934 -22.4292 8.08582 GPRESSAVG: 4108600 -1.85921 33.5328 -5.02194 30.0927 -10.8116 -21.9233 -3.5127 -23.3435 9.12469 TIMING: 4108600 CPU: 12211.9, 0.00292867/step Wall: 12211.9, 0.00292867/step, 0.725171 hours remaining, 207.253906 MB of memory in use. ENERGY: 4108600 748.9668 2134.8338 1922.0796 116.0367 -206251.6193 17694.5192 0.0000 0.0000 34524.0346 -149111.1487 301.5070 -183635.1832 -149010.9920 299.8753 -99.3996 -66.5565 556606.6860 -1.1595 -1.1821 PRESSURE: 4108800 273.208 11.6974 69.8295 11.6966 9.4042 68.1421 69.8295 68.1436 -143.149 GPRESSURE: 4108800 260.472 20.0279 47.6751 33.035 48.6896 60.8804 73.8867 99.1881 -66.0294 PRESSAVG: 4108800 10.8896 7.47213 42.2137 7.47212 -19.6051 -14.9843 42.2137 -14.9842 49.1856 GPRESSAVG: 4108800 12.4081 4.38749 42.0453 8.46965 -19.7109 -14.6985 40.4248 -16.8419 47.5751 TIMING: 4108800 CPU: 12212.5, 0.00295239/step Wall: 12212.5, 0.00295239/step, 0.730881 hours remaining, 207.253906 MB of memory in use. ENERGY: 4108800 775.0452 2136.2956 1941.4055 117.2913 -205918.0797 17705.7239 0.0000 0.0000 34158.2929 -149084.0254 298.3129 -183242.3183 -148988.2701 300.0713 46.4880 81.0442 555117.7281 13.4901 13.4241 PRESSURE: 4109000 40.1672 -35.744 -136.223 -35.7436 -24.8876 -21.993 -136.224 -21.9924 -38.8262 GPRESSURE: 4109000 63.5665 -68.9568 -163.3 -79.2331 43.6228 5.75426 -171.602 -5.51648 -34.8877 PRESSAVG: 4109000 64.4044 0.767772 -11.9248 0.767756 -57.0621 -15.7086 -11.9247 -15.7086 1.02657 GPRESSAVG: 4109000 62.9043 1.32757 -9.75381 1.54755 -56.6929 -15.1508 -9.49586 -12.6921 1.80523 TIMING: 4109000 CPU: 12213, 0.00294357/step Wall: 12213, 0.00294357/step, 0.728533 hours remaining, 207.253906 MB of memory in use. ENERGY: 4109000 727.0122 2097.6433 1953.7819 124.2387 -206139.0145 17607.4242 0.0000 0.0000 34388.4145 -149240.4997 300.3226 -183628.9141 -149143.5934 299.1011 -7.8489 24.1005 555230.5871 2.7896 2.6722 PRESSURE: 4109200 -99.4491 -55.2736 81.6507 -55.2748 -258.384 148.49 81.6487 148.492 -44.4183 GPRESSURE: 4109200 -35.9593 -21.315 83.8569 -77.1426 -232.564 156.453 106.731 127.532 -33.1538 PRESSAVG: 4109200 -25.5588 -43.1823 -6.25285 -43.1823 48.6732 11.2014 -6.25285 11.2015 -2.75983 GPRESSAVG: 4109200 -25.8667 -43.3303 -8.92037 -43.0599 47.9573 8.09293 -6.027 12.3276 -1.61395 TIMING: 4109200 CPU: 12213.6, 0.00294684/step Wall: 12213.6, 0.00294684/step, 0.72918 hours remaining, 207.253906 MB of memory in use. ENERGY: 4109200 759.3158 2052.0022 1950.4785 126.2203 -205668.7522 17535.2914 0.0000 0.0000 33959.2838 -149286.1602 296.5749 -183245.4441 -149195.3062 299.0217 -134.0839 -100.5590 557505.7267 6.7849 6.8256 PRESSURE: 4109400 -25.2397 -9.84784 -12.0473 -9.848 -23.8072 -12.9541 -12.0468 -12.9544 100.541 GPRESSURE: 4109400 8.33219 35.8933 -0.000207746 -1.98784 35.7872 -73.2974 -67.8218 -119.94 97.4547 PRESSAVG: 4109400 -20.0833 -45.3425 65.8666 -45.3425 -4.78187 -44.6005 65.8665 -44.6006 1.68283 GPRESSAVG: 4109400 -19.9399 -46.6657 65.1706 -46.5348 -4.64597 -44.5881 63.2774 -46.4553 1.20069 TIMING: 4109400 CPU: 12214.2, 0.00294821/step Wall: 12214.2, 0.00294821/step, 0.729354 hours remaining, 207.253906 MB of memory in use. ENERGY: 4109400 748.1256 2059.4341 1944.9354 102.4379 -206589.8511 17846.1928 0.0000 0.0000 34510.3446 -149378.3807 301.3874 -183888.7253 -149278.9375 298.4284 17.1647 47.1914 556191.3527 -7.7274 -7.7951 PRESSURE: 4109600 153.013 -92.5953 110.293 -92.5959 129.697 72.7652 110.292 72.7659 127.327 GPRESSURE: 4109600 112.817 9.24328 168.697 -194.872 174.363 74.7639 54.9082 60.5608 215.594 PRESSAVG: 4109600 -12.9288 4.27133 41.7063 4.27131 7.06923 -34.8008 41.7064 -34.8008 46.7579 GPRESSAVG: 4109600 -12.1005 6.55986 42.4014 4.34736 6.89674 -31.0453 44.0421 -36.5024 46.2177 TIMING: 4109600 CPU: 12214.8, 0.00293722/step Wall: 12214.8, 0.00293722/step, 0.726471 hours remaining, 207.253906 MB of memory in use. ENERGY: 4109600 734.2573 2071.2058 1942.4105 119.0232 -206461.2726 17917.3382 0.0000 0.0000 34332.8375 -149344.2001 299.8372 -183677.0375 -149252.0976 299.0907 136.6789 167.5911 556447.1648 13.6328 13.6713 PRESSURE: 4109800 187.353 46.7346 72.1668 46.7356 -150.387 -127.991 72.1673 -127.989 216.285 GPRESSURE: 4109800 242.913 22.9676 150.352 36.7442 -91.8098 -136.338 -27.6962 -115.203 194.697 PRESSAVG: 4109800 25.0596 -21.1295 17.755 -21.1296 -4.68851 -4.34596 17.755 -4.34591 -20.6383 GPRESSAVG: 4109800 26.1179 -22.982 16.881 -19.5042 -4.20711 -7.08746 18.2289 -0.595172 -21.2638 TIMING: 4109800 CPU: 12215.4, 0.00294231/step Wall: 12215.4, 0.00294231/step, 0.727568 hours remaining, 207.253906 MB of memory in use. ENERGY: 4109800 738.7703 2048.6614 1951.5549 121.7238 -206313.3484 17893.6422 0.0000 0.0000 34223.2452 -149335.7507 298.8801 -183558.9959 -149238.6179 298.9838 84.4171 115.2666 557228.0743 -0.0891 0.2157 PRESSURE: 4110000 -56.8446 -51.9886 5.5399 -51.9893 -56.2334 2.23763 5.54027 2.239 116.024 GPRESSURE: 4110000 -3.85092 24.052 28.0498 -180.104 -46.2314 -13.9574 11.2408 1.60729 148.823 PRESSAVG: 4110000 -9.51365 10.2488 -21.542 10.2488 -22.996 -14.6749 -21.542 -14.6748 49.9744 GPRESSAVG: 4110000 -10.2489 9.45601 -20.9216 11.3626 -24.4792 -14.4723 -23.5397 -18.4513 51.7431 TIMING: 4110000 CPU: 12216, 0.00293771/step Wall: 12216, 0.00293771/step, 0.726267 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4110000 759.7221 2050.9712 1936.0958 115.7507 -205917.0746 17798.5125 0.0000 0.0000 33937.5738 -149318.4484 296.3853 -183256.0222 -149220.7908 299.0091 0.9821 32.9137 558143.8995 5.8216 5.6717 PRESSURE: 4110200 -104.198 -84.7647 22.3391 -84.764 -39.5624 37.1308 22.3392 37.1298 131.763 GPRESSURE: 4110200 -71.3185 -53.5836 10.0849 -104.465 14.9722 35.4943 8.23598 -3.35637 142.455 PRESSAVG: 4110200 28.7362 18.1855 12.3444 18.1856 -43.337 10.2157 12.3444 10.2158 16.141 GPRESSAVG: 4110200 29.3103 18.3998 14.6461 16.8791 -43.1119 10.5446 12.1143 11.8803 15.2615 TIMING: 4110200 CPU: 12216.6, 0.00294258/step Wall: 12216.6, 0.00294258/step, 0.727307 hours remaining, 207.253906 MB of memory in use. ENERGY: 4110200 756.2962 2078.1894 1980.6423 106.0173 -206343.1998 17863.3336 0.0000 0.0000 34195.6960 -149363.0250 298.6395 -183558.7209 -149271.0411 298.9592 -3.9990 28.7028 556470.4873 0.5134 0.4866 PRESSURE: 4110400 -273.986 72.546 244.509 72.5459 -291.797 -3.64672 244.509 -3.64714 -450.064 GPRESSURE: 4110400 -262.093 38.8736 200.038 51.609 -272.164 22.8219 254.562 -1.5816 -385.2 PRESSAVG: 4110400 79.1383 3.09895 38.7286 3.09888 -78.156 -19.6457 38.7286 -19.6457 4.11834 GPRESSAVG: 4110400 78.1097 5.73541 35.4902 1.66592 -76.5647 -21.0167 40.3453 -19.1526 3.50024 TIMING: 4110400 CPU: 12217.2, 0.00297481/step Wall: 12217.2, 0.00297481/step, 0.735109 hours remaining, 207.253906 MB of memory in use. ENERGY: 4110400 758.2707 2052.7177 1943.0248 118.8520 -205680.8455 17325.2243 0.0000 0.0000 34037.1551 -149445.6009 297.2549 -183482.7559 -149348.6376 298.7428 -338.6156 -306.4854 558314.9078 1.7002 1.6817 PRESSURE: 4110600 -6.65475 50.034 -105.004 50.0328 93.095 18.7555 -105.004 18.7562 -40.7625 GPRESSURE: 4110600 6.24639 -55.4169 -74.5024 137.075 166.041 -12.7787 -125.194 60.3299 -29.1927 PRESSAVG: 4110600 -25.6937 -26.4072 -1.73993 -26.4072 91.4928 11.6754 -1.73989 11.6753 -62.3898 GPRESSAVG: 4110600 -25.5844 -26.497 0.0516188 -25.9387 90.9806 13.7675 -2.27884 11.6342 -61.2134 TIMING: 4110600 CPU: 12217.8, 0.00296077/step Wall: 12217.8, 0.00296077/step, 0.731476 hours remaining, 207.253906 MB of memory in use. ENERGY: 4110600 721.5930 2075.9267 1938.7089 126.9813 -206192.0630 17885.7872 0.0000 0.0000 34013.7614 -149429.3044 297.0506 -183443.0658 -149324.0269 297.7875 15.2259 47.6982 559187.2148 1.1364 1.3943 PRESSURE: 4110800 -144.111 133.624 -174.907 133.624 14.0863 -17.9642 -174.906 -17.9638 92.7083 GPRESSURE: 4110800 -77.56 181.643 -178.862 82.499 66.7844 -35.8023 -134.029 105.486 87.9454 PRESSAVG: 4110800 8.42653 15.8018 44.8076 15.8017 24.6386 43.0843 44.8075 43.0845 -29.0942 GPRESSAVG: 4110800 7.88042 14.6915 44.136 16.9179 26.045 42.466 43.3849 41.524 -29.2641 TIMING: 4110800 CPU: 12218.4, 0.00297092/step Wall: 12218.4, 0.00297092/step, 0.733818 hours remaining, 207.511719 MB of memory in use. ENERGY: 4110800 770.7768 2069.5569 1945.3170 112.4856 -206706.6567 18043.3541 0.0000 0.0000 34254.7918 -149510.3745 299.1556 -183765.1663 -149410.7312 298.6716 -12.4388 25.7233 557879.8039 1.3237 1.5538 PRESSURE: 4111000 140.335 71.4359 50.3791 71.4354 83.2196 67.797 50.3783 67.7978 -2.76651 GPRESSURE: 4111000 128.285 98.0261 21.4791 20.9104 130.428 -9.85368 22.0691 142.231 65.0478 PRESSAVG: 4111000 -12.9079 84.063 72.575 84.063 4.60503 59.3148 72.5749 59.3149 8.08882 GPRESSAVG: 4111000 -12.3142 81.1627 73.585 83.2586 2.84692 56.9995 73.0769 61.7192 9.04777 TIMING: 4111000 CPU: 12218.9, 0.00295632/step Wall: 12218.9, 0.00295632/step, 0.730046 hours remaining, 207.511719 MB of memory in use. ENERGY: 4111000 727.4670 2084.4729 1983.1799 109.7197 -206164.1862 17981.2094 0.0000 0.0000 34003.7939 -149274.3436 296.9636 -183278.1375 -149185.7016 298.3771 73.5962 107.9205 558195.2900 -0.0713 -0.1398 PRESSURE: 4111200 -56.7235 -29.209 116.534 -29.2102 -28.8765 46.529 116.536 46.5294 -284.822 GPRESSURE: 4111200 -6.28159 -53.298 161.992 -17.3975 -35.9939 -80.0935 2.18209 70.18 -229.648 PRESSAVG: 4111200 -53.9298 19.0589 8.78053 19.059 -10.9738 48.2943 8.78062 48.2944 24.5345 GPRESSAVG: 4111200 -53.5691 20.1712 8.8967 20.3432 -10.3786 50.3271 8.79982 46.0585 23.6299 TIMING: 4111200 CPU: 12219.5, 0.0029536/step Wall: 12219.5, 0.0029536/step, 0.729212 hours remaining, 207.511719 MB of memory in use. ENERGY: 4111200 727.9701 2043.6713 1937.0851 105.3080 -206080.7059 17751.3744 0.0000 0.0000 34250.1440 -149265.1531 299.1150 -183515.2970 -149167.3293 298.3122 -123.4741 -90.6413 558178.3020 -13.4564 -13.4393 PRESSURE: 4111400 121.463 102.493 36.8414 102.493 -153.126 -3.50434 36.8418 -3.50456 16.1117 GPRESSURE: 4111400 138.839 155.238 81.159 23.5872 -89.271 2.72693 81.8679 29.4878 28.2405 PRESSAVG: 4111400 59.8811 76.9246 19.3117 76.9245 -114.697 5.2232 19.3116 5.22322 -9.91347 GPRESSAVG: 4111400 61.4508 77.5911 18.5452 74.1839 -114.559 6.02685 21.3098 4.97116 -11.5043 TIMING: 4111400 CPU: 12220.1, 0.00296681/step Wall: 12220.1, 0.00296681/step, 0.732306 hours remaining, 207.511719 MB of memory in use. ENERGY: 4111400 728.7451 2030.2164 1951.1019 109.1576 -206014.8556 17742.4866 0.0000 0.0000 34306.1987 -149146.9495 299.6046 -183453.1482 -149052.1727 299.2062 -5.1839 25.9362 558538.8252 -21.5764 -21.5376 PRESSURE: 4111600 154.741 182.167 -77.5065 182.166 530.845 -51.9676 -77.5057 -51.9668 230.199 GPRESSURE: 4111600 247.708 195.216 -109.394 156.104 584.461 -58.4573 -44.5479 2.44084 182.418 PRESSAVG: 4111600 -4.0464 25.115 9.14026 25.115 -44.5417 -8.37472 9.14024 -8.3747 41.6619 GPRESSAVG: 4111600 -4.80837 26.6516 8.98343 26.5133 -44.0767 -9.05774 8.07324 -5.84373 42.7052 TIMING: 4111600 CPU: 12220.7, 0.00295681/step Wall: 12220.7, 0.00295681/step, 0.729675 hours remaining, 207.511719 MB of memory in use. ENERGY: 4111600 702.8719 2098.8903 1917.4499 102.1522 -206238.0474 18094.0788 0.0000 0.0000 34259.5087 -149063.0956 299.1968 -183322.6043 -148962.6115 299.4183 305.2620 338.1953 555778.2589 -2.3088 -2.0600 PRESSURE: 4111800 104.327 38.8093 -15.4863 38.8088 -76.4301 7.87384 -15.4858 7.87408 142.842 GPRESSURE: 4111800 98.3886 29.2567 -42.9542 -20.9611 -26.6749 59.4622 -9.82622 -34.3625 208.335 PRESSAVG: 4111800 16.5597 49.7488 39.3262 49.7489 -49.2463 -5.85198 39.3262 -5.85198 56.7695 GPRESSAVG: 4111800 15.9746 47.1264 41.0308 51.2046 -48.4581 -6.18894 38.1217 -7.33531 56.9979 TIMING: 4111800 CPU: 12221.3, 0.00294289/step Wall: 12221.3, 0.00294289/step, 0.726076 hours remaining, 207.511719 MB of memory in use. ENERGY: 4111800 745.1380 2021.9808 1927.5298 123.6137 -205645.3970 17545.4140 0.0000 0.0000 34227.8588 -149053.8619 298.9204 -183281.7207 -148949.6970 299.3748 56.9130 93.3495 555996.2162 8.0276 8.1715 PRESSURE: 4112000 -320.109 73.1035 -19.2589 73.104 85.0728 14.6844 -19.2585 14.6857 -37.4169 GPRESSURE: 4112000 -231.421 89.1838 3.5696 80.8003 106.693 29.7741 10.6057 43.7533 -47.8532 PRESSAVG: 4112000 -7.75398 -18.9871 -20.5651 -18.9871 -32.6087 6.54162 -20.5651 6.54148 30.2432 GPRESSAVG: 4112000 -7.17437 -18.6067 -21.335 -18.5603 -32.5726 7.40278 -18.3538 6.89982 29.3463 TIMING: 4112000 CPU: 12221.9, 0.00291879/step Wall: 12221.9, 0.00291879/step, 0.719969 hours remaining, 207.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4112000 770.7167 2091.5833 1931.2945 112.3709 -205531.8614 17450.9810 0.0000 0.0000 34149.7443 -149025.1706 298.2382 -183174.9149 -148929.7440 299.8460 -90.8178 -57.5271 557070.2993 -3.3732 -3.4669 PRESSURE: 4112200 -238.443 28.746 207.976 28.7461 -200.458 182.952 207.977 182.953 -272.356 GPRESSURE: 4112200 -203.219 54.7109 149.667 -58.0779 -196.734 238.717 250.566 191.953 -211.909 PRESSAVG: 4112200 -45.0781 10.0941 20.8822 10.094 -7.30791 35.7764 20.8822 35.7765 21.1107 GPRESSAVG: 4112200 -45.4465 12.2415 20.3921 9.52948 -7.37841 34.2123 17.8743 35.8345 21.7904 TIMING: 4112200 CPU: 12222.5, 0.00292129/step Wall: 12222.5, 0.00292129/step, 0.720423 hours remaining, 207.511719 MB of memory in use. ENERGY: 4112200 782.7055 2077.2432 1933.9487 121.7031 -205753.1150 17467.7472 0.0000 0.0000 34193.8410 -149175.9264 298.6233 -183369.7674 -149082.7580 299.4181 -237.0856 -203.9541 559472.7493 -10.4251 -10.3448 LDB: ============= START OF LOAD BALANCING ============== 12226 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12226 LDB: =============== DONE WITH MIGRATION ================ 12226 LDB: ============= START OF LOAD BALANCING ============== 12226.3 LDB: Largest compute 4809 load 0.022528 is 19.0% of average load 0.118298 LDB: Average compute 0.001726 is 1.5% of average load 0.118298 LDB: TIME 12226.3 LOAD: AVG 0.118298 MAX 0.200512 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.09 MB LDB: TIME 12226.3 LOAD: AVG 0.118298 MAX 0.200512 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.094 MB LDB: TIME 12226.3 LOAD: AVG 0.118298 MAX 0.200512 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.094 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12226.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12226.3 PRESSURE: 4112400 -123.091 43.2355 -85.7841 43.2353 -41.1808 88.689 -85.7848 88.6895 -242.699 GPRESSURE: 4112400 -88.2415 39.6906 -44.5435 65.582 24.2432 94.2202 -86.732 42.3308 -226.158 PRESSAVG: 4112400 -22.9588 13.6999 37.2756 13.6999 6.06904 -21.0057 37.2755 -21.0055 18.6775 GPRESSAVG: 4112400 -22.2522 10.6313 36.9647 14.6506 5.21491 -20.7827 39.5088 -20.4139 19.2206 TIMING: 4112400 CPU: 12223.1, 0.00302011/step Wall: 12223.1, 0.00302011/step, 0.744626 hours remaining, 207.312500 MB of memory in use. ENERGY: 4112400 739.9805 2093.7469 1942.1666 110.2127 -205728.4468 17408.4390 0.0000 0.0000 34230.8110 -149203.0901 298.9462 -183433.9010 -149102.5968 299.4353 -135.6571 -96.7188 556569.3850 0.5959 0.7278 PRESSURE: 4112600 97.8832 -69.7968 -86.1005 -69.7973 -131.386 93.265 -86.1004 93.2631 21.205 GPRESSURE: 4112600 182.87 -131.6 -133.813 -72.2676 -140.261 -15.722 -15.5192 67.7145 47.4105 PRESSAVG: 4112600 23.2578 4.62574 37.2651 4.62582 -13.5166 27.2979 37.265 27.2979 11.9914 GPRESSAVG: 4112600 22.9971 6.48742 36.0792 3.60802 -14.266 27.0138 37.1242 27.0861 13.2251 TIMING: 4112600 CPU: 12223.7, 0.00296635/step Wall: 12223.7, 0.00296635/step, 0.731206 hours remaining, 207.312500 MB of memory in use. ENERGY: 4112600 700.1672 2094.1020 1926.8740 115.6933 -206024.8021 17712.2222 0.0000 0.0000 34599.2225 -148876.5208 302.1636 -183475.7433 -148780.9300 300.2411 -4.0992 30.0066 557415.4716 7.2442 7.3188 PRESSURE: 4112800 -227.657 -16.7741 -53.1706 -16.7723 -130.839 -241.621 -53.1702 -241.622 -278.884 GPRESSURE: 4112800 -140.887 -79.9328 -6.43897 -27.1529 -124.806 -182.382 -88.8172 -216.746 -275.034 PRESSAVG: 4112800 -15.0252 -13.5327 12.0285 -13.5326 8.83601 3.88008 12.0286 3.88016 35.2243 GPRESSAVG: 4112800 -14.853 -12.6605 13.3414 -15.8465 10.387 4.64454 12.7433 3.12749 34.0584 TIMING: 4112800 CPU: 12224.3, 0.00293903/step Wall: 12224.3, 0.00293903/step, 0.724308 hours remaining, 207.312500 MB of memory in use. ENERGY: 4112800 783.0058 2049.6701 1925.1885 116.1352 -205443.8899 17529.3050 0.0000 0.0000 34345.9803 -148694.6048 299.9520 -183040.5852 -148592.0709 300.8823 -212.4601 -180.2423 558311.8209 9.6784 9.8641 PRESSURE: 4113000 -207.815 -120.558 -53.4112 -120.558 -299.608 -54.7134 -53.4132 -54.7132 -59.9408 GPRESSURE: 4113000 -177.098 -96.3729 -83.7085 -95.8114 -215.673 -14.6622 -8.93057 -9.71809 -78.7662 PRESSAVG: 4113000 18.871 -28.2471 16.2188 -28.247 -22.7108 123.859 16.2189 123.859 -2.12611 GPRESSAVG: 4113000 17.8828 -28.4519 16.3579 -26.2006 -21.927 125.27 15.8932 123.527 -2.05062 TIMING: 4113000 CPU: 12224.8, 0.00293832/step Wall: 12224.8, 0.00293832/step, 0.723969 hours remaining, 207.312500 MB of memory in use. ENERGY: 4113000 761.0673 2070.2097 1935.8489 100.7531 -205424.3469 17484.5435 0.0000 0.0000 34260.1207 -148811.8037 299.2022 -183071.9244 -148722.3650 300.4024 -189.1211 -157.1789 558388.9875 -1.9886 -2.0316 PRESSURE: 4113200 -45.4214 31.5021 -38.9612 31.5016 41.9566 94.0376 -38.9604 94.0374 -365.236 GPRESSURE: 4113200 22.8857 88.6245 17.4481 0.647591 99.8591 74.9721 -3.68234 138.869 -377.595 PRESSAVG: 4113200 35.9418 4.15821 31.805 4.1582 -69.8273 -20.0791 31.8049 -20.0791 34.5118 GPRESSAVG: 4113200 37.2052 3.71085 31.3703 3.82 -70.312 -21.7724 32.5464 -20.6126 33.7109 TIMING: 4113200 CPU: 12225.4, 0.00296166/step Wall: 12225.4, 0.00296166/step, 0.729556 hours remaining, 207.312500 MB of memory in use. ENERGY: 4113200 729.9648 2107.7825 1947.2676 101.4859 -205594.8218 17467.8501 0.0000 0.0000 34513.7206 -148726.7502 301.4169 -183240.4709 -148633.2782 300.6953 -122.9001 -84.9501 559600.8449 0.2088 0.2014 PRESSURE: 4113400 -36.4965 -28.5828 1.02144 -28.5832 -409.707 -8.8557 1.02172 -8.85661 -194.407 GPRESSURE: 4113400 -31.0722 28.6117 50.583 -55.0137 -359.95 -0.836628 -140.144 -64.1322 -161.099 PRESSAVG: 4113400 -4.74491 6.51443 -34.1542 6.5143 42.1124 0.764917 -34.1543 0.764814 -14.351 GPRESSAVG: 4113400 -5.32788 5.83458 -34.0544 7.13836 42.3866 1.56909 -36.5739 0.30906 -14.0676 TIMING: 4113400 CPU: 12226, 0.00298568/step Wall: 12226, 0.00298568/step, 0.735308 hours remaining, 207.312500 MB of memory in use. ENERGY: 4113400 738.4918 2067.9121 1922.6960 113.8817 -205555.5680 17477.8856 0.0000 0.0000 34352.9292 -148881.7715 300.0127 -183234.7008 -148790.2778 299.9952 -213.5367 -184.0403 559983.7986 7.6722 7.6637 PRESSURE: 4113600 -189.086 94.266 -40.7193 94.2644 -74.2445 -175.183 -40.7195 -175.183 -20.7046 GPRESSURE: 4113600 -119.767 74.4274 60.1968 129.747 -41.1108 -155.315 -69.7776 -169.185 -27.1447 PRESSAVG: 4113600 43.1652 -18.73 -2.50738 -18.7301 -73.1305 -16.8367 -2.50739 -16.8367 27.543 GPRESSAVG: 4113600 44.6984 -19.5869 -2.42932 -17.0256 -74.8608 -19.0854 0.0203968 -13.2904 27.9494 TIMING: 4113600 CPU: 12226.6, 0.00294122/step Wall: 12226.6, 0.00294122/step, 0.724193 hours remaining, 207.312500 MB of memory in use. ENERGY: 4113600 731.1205 2115.4373 1953.1128 117.7858 -205934.0530 17560.7532 0.0000 0.0000 34399.5991 -149056.2442 300.4203 -183455.8433 -148964.9853 299.0599 -94.6783 -62.6743 558353.3742 -0.8074 -0.7377 PRESSURE: 4113800 -356.09 13.7593 73.2152 13.7579 -224.607 -19.0662 73.2139 -19.066 -299.841 GPRESSURE: 4113800 -313.885 16.8775 0.730262 -71.3056 -168.031 39.9155 149.961 10.4262 -290.251 PRESSAVG: 4113800 18.6507 -43.8846 -36.8818 -43.8845 -30.1987 -29.8224 -36.8818 -29.8226 18.8831 GPRESSAVG: 4113800 17.6369 -42.9611 -37.6399 -44.6388 -28.7814 -28.2464 -35.7765 -32.003 18.0275 TIMING: 4113800 CPU: 12227.2, 0.00295805/step Wall: 12227.2, 0.00295805/step, 0.728172 hours remaining, 207.312500 MB of memory in use. ENERGY: 4113800 782.6968 2070.4223 1927.4924 107.9777 -205866.1132 17630.3939 0.0000 0.0000 34353.6048 -148993.5253 300.0186 -183347.1301 -148895.8135 299.7447 -293.5124 -257.3888 558649.2108 2.4450 2.2943 PRESSURE: 4114000 -46.6626 -15.9937 57.5808 -15.9945 -74.1494 -86.247 57.5788 -86.2465 42.095 GPRESSURE: 4114000 -57.2927 -5.21385 26.9326 -94.9662 11.254 -52.4903 -15.91 -73.7251 57.8345 PRESSAVG: 4114000 -53.0274 -49.8279 6.58107 -49.828 39.3356 -20.8643 6.58109 -20.8644 28.1875 GPRESSAVG: 4114000 -53.0342 -49.9082 8.50462 -50.0745 39.4917 -21.7603 1.39519 -19.7572 27.9927 TIMING: 4114000 CPU: 12227.8, 0.00297285/step Wall: 12227.8, 0.00297285/step, 0.731651 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4114000 754.9693 2093.8011 1921.5489 103.4576 -205622.4976 17633.3403 0.0000 0.0000 34204.0050 -148911.3754 298.7121 -183115.3803 -148818.9772 300.1814 -26.2390 3.9319 558250.2696 4.8319 4.8167 PRESSURE: 4114200 -399.327 -27.3168 -10.5931 -27.317 69.5241 -125.041 -10.5932 -125.04 -158.871 GPRESSURE: 4114200 -313.919 -85.7626 -127.729 -21.7133 88.4869 -40.0001 40.0919 -107.359 -154.757 PRESSAVG: 4114200 -7.58567 -39.4681 12.8185 -39.4681 44.4831 -59.5806 12.8185 -59.5806 -50.5968 GPRESSAVG: 4114200 -6.81042 -40.4959 10.7047 -37.9327 44.0549 -59.9141 15.894 -58.1531 -51.1758 TIMING: 4114200 CPU: 12228.4, 0.00298424/step Wall: 12228.4, 0.00298424/step, 0.734288 hours remaining, 207.312500 MB of memory in use. ENERGY: 4114200 761.6821 2033.0703 1920.9308 127.7154 -205909.3218 17493.3069 0.0000 0.0000 34466.8471 -149105.7691 301.0075 -183572.6163 -149009.7969 300.2166 -162.8911 -126.7298 556172.6700 -4.5665 -4.6438 PRESSURE: 4114400 28.4179 -160.555 -31.0761 -160.556 9.06524 27.2099 -31.0762 27.2095 -136.674 GPRESSURE: 4114400 80.7407 -147.284 -11.6382 -120.563 31.6595 17.7799 -81.7594 68.6006 -108.225 PRESSAVG: 4114400 -57.043 -31.2951 -41.7737 -31.2951 12.4347 -20.7434 -41.7738 -20.7434 36.49 GPRESSAVG: 4114400 -57.5729 -30.6615 -39.4839 -32.514 12.9379 -21.4798 -43.7672 -22.1969 36.2147 TIMING: 4114400 CPU: 12229, 0.00292579/step Wall: 12229, 0.00292579/step, 0.719744 hours remaining, 207.312500 MB of memory in use. ENERGY: 4114400 771.2081 2072.0718 1930.9083 113.2178 -205813.5724 17765.6266 0.0000 0.0000 34141.8605 -149018.6793 298.1694 -183160.5398 -148924.3821 299.7535 -33.0638 1.3918 556798.5015 -2.7061 -2.8068 PRESSURE: 4114600 177.112 -99.0988 81.383 -99.0984 145.617 75.7736 81.3811 75.773 -120.485 GPRESSURE: 4114600 214.678 -94.9614 17.1335 -105.589 216.27 69.5293 100.573 99.0354 -138 PRESSAVG: 4114600 -41.731 -10.2483 -2.92488 -10.2482 16.2009 6.31906 -2.92492 6.31923 42.8729 GPRESSAVG: 4114600 -41.4471 -13.8096 -3.06565 -9.00661 14.9961 7.13682 -0.785573 6.78243 43.3481 TIMING: 4114600 CPU: 12229.6, 0.00295485/step Wall: 12229.6, 0.00295485/step, 0.72673 hours remaining, 207.312500 MB of memory in use. ENERGY: 4114600 763.6924 2059.7410 1983.2783 130.1194 -205887.5244 17769.2659 0.0000 0.0000 34256.5497 -148924.8778 299.1710 -183181.4275 -148832.2016 300.3149 67.4148 97.6497 556395.3101 5.7809 5.6324 PRESSURE: 4114800 -72.2747 -123.063 -8.12765 -123.063 43.5088 45.108 -8.12743 45.1059 114.778 GPRESSURE: 4114800 20.2551 -92.2587 -26.6409 -139.025 99.8021 -112.841 39.2895 136.377 62.4564 PRESSAVG: 4114800 3.81638 -46.3886 -30.3997 -46.3887 -60.4347 -29.1002 -30.3997 -29.1003 36.5534 GPRESSAVG: 4114800 4.20899 -41.8031 -30.0084 -49.1218 -60.516 -29.001 -32.5058 -28.735 36.4176 TIMING: 4114800 CPU: 12230.2, 0.00294364/step Wall: 12230.2, 0.00294364/step, 0.723809 hours remaining, 207.312500 MB of memory in use. ENERGY: 4114800 736.3425 2104.3876 1946.2120 125.6955 -206064.9405 17843.2817 0.0000 0.0000 34261.2613 -149047.7599 299.2121 -183309.0212 -148953.9337 299.9074 28.6706 60.8379 556540.2199 -6.6883 -6.6298 PRESSURE: 4115000 -228.796 101.608 -85.8133 101.607 -61.3213 12.147 -85.8133 12.146 -8.30947 GPRESSURE: 4115000 -177.115 88.7079 -69.4418 37.7495 -73.1739 57.8856 -69.909 32.2604 51.5773 PRESSAVG: 4115000 -66.1122 4.74761 0.16375 4.74765 37.4564 -29.727 0.163718 -29.7272 21.6649 GPRESSAVG: 4115000 -66.9089 0.247253 0.227426 8.12038 37.377 -28.9035 0.0630219 -30.7342 22.5123 TIMING: 4115000 CPU: 12230.8, 0.00294605/step Wall: 12230.8, 0.00294605/step, 0.724238 hours remaining, 207.312500 MB of memory in use. ENERGY: 4115000 766.4966 2127.8642 1928.8408 111.4141 -205898.6678 17638.9200 0.0000 0.0000 34294.8093 -149030.3228 299.5051 -183325.1321 -148943.0951 299.5926 -99.4757 -66.2372 557691.9663 -2.3303 -2.3398 PRESSURE: 4115200 -112.068 -60.5713 69.6444 -60.5717 18.4569 46.576 69.6437 46.5766 -87.8789 GPRESSURE: 4115200 -70.5206 -84.2083 61.9329 -107.866 6.95753 76.1373 68.4952 4.4317 -15.3562 PRESSAVG: 4115200 -14.304 17.8645 -13.5767 17.8645 -67.326 8.17711 -13.5766 8.17709 70.2843 GPRESSAVG: 4115200 -14.2792 19.8516 -14.1398 16.0525 -67.0728 7.16898 -12.7095 8.65983 69.6719 TIMING: 4115200 CPU: 12231.4, 0.00295741/step Wall: 12231.4, 0.00295741/step, 0.726864 hours remaining, 207.312500 MB of memory in use. ENERGY: 4115200 775.8026 2114.4484 1937.3369 103.8888 -205988.3971 17674.3871 0.0000 0.0000 34388.6998 -148993.8336 300.3251 -183382.5334 -148905.0948 299.3163 -60.4968 -26.3064 557870.3071 -3.7819 -3.8934 PRESSURE: 4115400 -462.033 207.944 13.203 207.945 -214.543 -199.991 13.2029 -199.987 -208.045 GPRESSURE: 4115400 -438.813 194.691 7.56398 214.341 -159.332 -130.85 7.17223 -197.31 -200.455 PRESSAVG: 4115400 -66.7913 -32.8771 37.3109 -32.8771 57.5645 10.7662 37.3109 10.7662 5.19418 GPRESSAVG: 4115400 -67.1143 -31.7358 35.5865 -32.5291 58.3504 11.1394 37.5989 10.5894 4.97778 TIMING: 4115400 CPU: 12231.9, 0.00294611/step Wall: 12231.9, 0.00294611/step, 0.723924 hours remaining, 207.312500 MB of memory in use. ENERGY: 4115400 795.5018 2041.8166 1913.7540 123.4078 -205917.0364 17531.0111 0.0000 0.0000 34364.0590 -149147.4861 300.1099 -183511.5451 -149054.0784 299.8581 -294.8735 -266.2000 557897.6520 -1.3442 -1.2620 PRESSURE: 4115600 69.1965 112.86 -12.0727 112.86 120.863 -161.91 -12.0738 -161.91 133.466 GPRESSURE: 4115600 137.913 53.6076 64.219 155.618 140.621 -151.806 -41.1636 -99.1079 140.465 PRESSAVG: 4115600 13.8951 -19.7319 65.4743 -19.7319 4.01041 -43.0318 65.4743 -43.0319 -34.2206 GPRESSAVG: 4115600 12.9712 -20.1512 67.3245 -20.6768 3.677 -42.3792 66.2534 -42.4808 -32.5296 TIMING: 4115600 CPU: 12232.5, 0.00293605/step Wall: 12232.5, 0.00293605/step, 0.721289 hours remaining, 207.312500 MB of memory in use. ENERGY: 4115600 724.2962 2068.4334 1933.5792 124.4056 -206127.0097 17747.8578 0.0000 0.0000 34277.8786 -149250.5589 299.3572 -183528.4376 -149151.4728 299.5132 107.8419 139.6662 554892.8491 -5.4383 -5.2938 PRESSURE: 4115800 85.1411 -27.8924 -2.10311 -27.8914 -77.3769 70.1226 -2.10339 70.1225 -119.984 GPRESSURE: 4115800 108.76 -40.6451 -21.422 8.39269 -61.3401 70.2592 -42.3409 123.096 -65.8058 PRESSAVG: 4115800 39.409 9.34328 42.4235 9.34319 -6.53035 -56.1121 42.4236 -56.1121 48.2691 GPRESSAVG: 4115800 40.7821 8.8239 42.5121 11.0198 -6.44382 -57.8225 40.9764 -57.0052 46.7715 TIMING: 4115800 CPU: 12233.1, 0.00293887/step Wall: 12233.1, 0.00293887/step, 0.72182 hours remaining, 207.312500 MB of memory in use. ENERGY: 4115800 762.9383 2137.3089 1953.9741 113.2954 -206151.3711 17847.7208 0.0000 0.0000 34270.2679 -149065.8656 299.2908 -183336.1335 -148976.2667 298.5495 -37.4066 -6.1288 556795.5268 27.0492 27.0366 PRESSURE: 4116000 -87.9814 -5.33302 27.7259 -5.33396 -133.383 -114.15 27.7257 -114.149 18.5923 GPRESSURE: 4116000 -30.5702 -41.8788 53.238 -19.5541 -116.804 -65.8501 29.5809 -203.203 45.5044 PRESSAVG: 4116000 43.8857 44.4875 2.49876 44.4874 -15.1219 -25.1783 2.49877 -25.1784 -31.9778 GPRESSAVG: 4116000 43.4542 46.3117 3.57599 44.2766 -14.7621 -23.2883 2.4196 -25.8125 -31.7889 TIMING: 4116000 CPU: 12233.7, 0.0029358/step Wall: 12233.7, 0.0029358/step, 0.720901 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4116000 708.3108 2105.2579 1941.8792 108.1710 -206104.6656 17746.7337 0.0000 0.0000 34218.4277 -149275.8854 298.8380 -183494.3130 -149182.4271 298.9497 -67.5906 -33.9567 557696.5071 -1.0713 -1.0323 PRESSURE: 4116200 -89.6747 -44.9027 -86.2671 -44.9031 -155.93 255.525 -86.266 255.526 -85.2502 GPRESSURE: 4116200 -126.919 -56.5281 15.1277 -79.5216 -111.563 214.289 -157.335 213.824 13.0128 PRESSAVG: 4116200 62.8471 11.37 -13.2767 11.37 -52.172 -21.262 -13.2767 -21.2619 4.01059 GPRESSAVG: 4116200 61.8462 10.9861 -15.2084 10.1259 -51.7142 -21.4802 -10.5204 -22.6411 4.70227 TIMING: 4116200 CPU: 12234.3, 0.00294996/step Wall: 12234.3, 0.00294996/step, 0.724215 hours remaining, 207.312500 MB of memory in use. ENERGY: 4116200 744.0366 2088.2285 1968.0847 110.3966 -206045.8400 17663.7128 0.0000 0.0000 34334.6482 -149136.7327 299.8530 -183471.3808 -149048.7717 298.8257 -110.2851 -75.1564 558054.2363 4.8952 4.9448 LDB: ============= START OF LOAD BALANCING ============== 12237.8 LDB: ============== END OF LOAD BALANCING =============== 12237.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12237.8 LDB: ============= START OF LOAD BALANCING ============== 12238.1 LDB: Largest compute 4809 load 0.024579 is 20.8% of average load 0.118199 LDB: Average compute 0.001730 is 1.5% of average load 0.118199 LDB: TIME 12238.1 LOAD: AVG 0.118199 MAX 0.199332 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 12238.1 LOAD: AVG 0.118199 MAX 0.199332 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.945 MB LDB: TIME 12238.1 LOAD: AVG 0.118199 MAX 0.199332 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.945 MB LDB: ============== END OF LOAD BALANCING =============== 12238.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12238.2 PRESSURE: 4116400 -87.7811 -104.205 109.421 -104.206 101.951 -0.0458966 109.421 -0.0446577 -324.106 GPRESSURE: 4116400 -93.725 -101.303 120.124 -45.5482 130.36 6.99129 121.39 12.9382 -252.434 PRESSAVG: 4116400 56.081 -11.1324 -4.17346 -11.1323 -58.1678 14.0951 -4.1734 14.0951 -43.2422 GPRESSAVG: 4116400 57.1132 -12.2989 -4.00132 -10.7625 -58.6718 14.3045 -5.75648 15.641 -44.4517 TIMING: 4116400 CPU: 12234.9, 0.00302706/step Wall: 12234.9, 0.00302706/step, 0.742976 hours remaining, 206.742188 MB of memory in use. ENERGY: 4116400 735.3498 2058.7975 1957.6063 107.8385 -205317.3376 17432.0645 0.0000 0.0000 34080.4559 -148945.2251 297.6331 -183025.6811 -148848.1308 299.9444 -103.3119 -71.9328 559335.8060 -15.1097 -15.3368 PRESSURE: 4116600 -76.2613 -90.9527 72.8444 -90.9523 136.594 -79.9785 72.8442 -79.9787 30.2052 GPRESSURE: 4116600 -91.1395 -126.938 61.225 -117.128 166.603 -19.2366 165.681 -92.0195 120.6 PRESSAVG: 4116600 -17.6895 35.4477 18.116 35.4479 -0.872226 -28.6263 18.116 -28.6264 18.4603 GPRESSAVG: 4116600 -18.2654 34.4292 16.6126 36.8313 -1.03911 -30.7913 20.399 -27.4981 19.4748 TIMING: 4116600 CPU: 12235.5, 0.00297212/step Wall: 12235.5, 0.00297212/step, 0.729326 hours remaining, 206.742188 MB of memory in use. ENERGY: 4116600 740.9502 2117.8674 1949.9889 113.3054 -205754.6536 17797.1526 0.0000 0.0000 34164.0259 -148871.3632 298.3629 -183035.3891 -148773.9640 300.0814 30.1793 65.3546 557471.6647 -0.0338 0.0568 PRESSURE: 4116800 -6.11025 -176.108 -33.0497 -176.108 -40.5487 -61.4165 -33.0493 -61.4167 -254.117 GPRESSURE: 4116800 31.7154 -157.119 21.3962 -79.6352 20.6942 -5.78206 -82.1208 -137.882 -257.438 PRESSAVG: 4116800 32.758 37.1853 41.8749 37.1852 88.5311 -20.7891 41.8749 -20.7892 -98.1208 GPRESSAVG: 4116800 34.1498 37.634 44.1951 36.292 88.4938 -18.4634 37.5149 -22.593 -99.6213 TIMING: 4116800 CPU: 12236.1, 0.00298428/step Wall: 12236.1, 0.00298428/step, 0.732144 hours remaining, 206.742188 MB of memory in use. ENERGY: 4116800 732.1082 2044.6716 1953.4170 112.3448 -205545.5505 17529.5023 0.0000 0.0000 34289.0891 -148884.4174 299.4551 -183173.5065 -148786.5388 300.3426 -100.2587 -68.3428 558115.9062 7.7228 7.6741 PRESSURE: 4117000 134.838 50.6151 -158.304 50.6155 -12.9265 48.5703 -158.304 48.5691 196.933 GPRESSURE: 4117000 142.703 -4.80168 -48.3016 7.13148 28.1585 -22.5578 -135.09 27.8212 244.589 PRESSAVG: 4117000 2.86745 60.1118 -11.7032 60.1118 13.4144 -10.3918 -11.7031 -10.3919 -14.8135 GPRESSAVG: 4117000 1.90366 61.9499 -11.2456 58.8875 13.6549 -11.9362 -9.92439 -9.84952 -14.0353 TIMING: 4117000 CPU: 12236.7, 0.00294514/step Wall: 12236.7, 0.00294514/step, 0.722378 hours remaining, 206.742188 MB of memory in use. ENERGY: 4117000 729.2178 2131.1637 1948.2535 116.8769 -206385.1971 18139.7953 0.0000 0.0000 34453.7821 -148866.1078 300.8934 -183319.8899 -148773.4135 300.3635 106.2815 138.4836 557440.0604 0.4894 0.5078 PRESSURE: 4117200 87.5706 9.04295 26.6602 9.04372 -96.2076 -47.7724 26.659 -47.7735 -130.253 GPRESSURE: 4117200 13.5008 50.7713 71.1635 -17.6152 4.17447 -65.3086 59.144 -32.2452 -39.7606 PRESSAVG: 4117200 -26.1711 4.76658 -20.4618 4.76654 5.45569 -8.00456 -20.4618 -8.00455 4.69162 GPRESSAVG: 4117200 -26.2982 2.13513 -19.9161 6.14909 5.23748 -8.61097 -19.5312 -7.14495 5.41418 TIMING: 4117200 CPU: 12237.3, 0.00292899/step Wall: 12237.3, 0.00292899/step, 0.718252 hours remaining, 206.742188 MB of memory in use. ENERGY: 4117200 708.9091 2083.4465 1950.9582 128.6294 -205608.1517 17570.5762 0.0000 0.0000 34501.3796 -148664.2527 301.3091 -183165.6322 -148558.6546 301.1025 -46.2966 -7.3618 557352.1909 -5.3413 -5.2155 PRESSURE: 4117400 36.9452 -192.816 -23.0232 -192.815 40.4886 -91.122 -23.0242 -91.1216 -39.5449 GPRESSURE: 4117400 91.6592 -209.951 -42.3118 -131.419 26.4595 -153.559 3.44262 -29.0072 16.9746 PRESSAVG: 4117400 -72.3181 -1.01048 29.4996 -1.01047 41.5668 -18.3551 29.4997 -18.3551 -8.01789 GPRESSAVG: 4117400 -73.2191 0.191084 25.3067 -0.56907 42.3089 -17.9434 30.0537 -19.2103 -8.15029 TIMING: 4117400 CPU: 12237.9, 0.00293884/step Wall: 12237.9, 0.00293884/step, 0.720506 hours remaining, 206.742188 MB of memory in use. ENERGY: 4117400 769.0186 2065.4685 1947.7964 113.7694 -206121.8988 17803.5015 0.0000 0.0000 34527.5324 -148894.8120 301.5375 -183422.3444 -148787.3301 300.3636 12.6296 45.0311 557988.5333 -12.9231 -13.0202 PRESSURE: 4117600 101.406 150.907 -22.2177 150.908 -244.476 40.1413 -22.2192 40.1396 84.8566 GPRESSURE: 4117600 122.505 259.036 -0.682449 31.9931 -185.603 -0.88535 -72.1797 141.322 109.026 PRESSAVG: 4117600 37.2261 -33.4377 6.97343 -33.4378 0.266753 16.5693 6.9734 16.5692 -24.2676 GPRESSAVG: 4117600 36.8528 -31.6661 10.271 -35.5023 -0.133797 16.6078 5.26903 16.9147 -23.5143 TIMING: 4117600 CPU: 12238.4, 0.002962/step Wall: 12238.4, 0.002962/step, 0.72602 hours remaining, 206.742188 MB of memory in use. ENERGY: 4117600 747.5267 2063.4928 1965.3471 104.3490 -206068.4244 17806.3139 0.0000 0.0000 34435.7908 -148945.6041 300.7363 -183381.3949 -148851.5120 299.6800 -19.4045 15.3094 558545.5576 4.4084 4.4016 PRESSURE: 4117800 -106.486 92.9848 29.7542 92.9853 -169.235 -34.0019 29.7548 -34.0013 -50.8285 GPRESSURE: 4117800 -90.8144 47.44 -0.494873 16.9728 -85.3828 -40.0028 -21.3003 -81.3819 -40.2347 PRESSAVG: 4117800 -62.7024 -13.1896 57.803 -13.1896 21.1077 -1.76087 57.8029 -1.76091 -47.3681 GPRESSAVG: 4117800 -61.1825 -14.679 57.2227 -11.6464 21.0935 -3.71589 59.0607 -2.12031 -48.4328 TIMING: 4117800 CPU: 12239, 0.00296304/step Wall: 12239, 0.00296304/step, 0.72611 hours remaining, 206.742188 MB of memory in use. ENERGY: 4117800 713.7134 2099.6769 1953.8133 107.1238 -205566.0875 17429.7831 0.0000 0.0000 34355.4992 -148906.4777 300.0351 -183261.9769 -148808.1266 299.9854 -108.8497 -72.1440 558832.3550 -29.6543 -29.5073 PRESSURE: 4118000 -212.738 -109.531 79.1469 -109.532 123.701 36.7486 79.1463 36.7478 -80.9326 GPRESSURE: 4118000 -215.478 -131.312 81.3232 -102.395 146.779 90.9929 -1.56615 39.2269 -7.61752 PRESSAVG: 4118000 -37.2405 9.73573 51.8466 9.73573 17.185 -65.0315 51.8465 -65.0314 -22.2468 GPRESSAVG: 4118000 -37.248 11.6775 51.2479 9.55959 16.2644 -63.5364 51.3172 -65.4243 -21.1829 TIMING: 4118000 CPU: 12239.6, 0.00292634/step Wall: 12239.6, 0.00292634/step, 0.716952 hours remaining, 206.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4118000 746.7604 2097.1979 1951.0522 104.6996 -205505.8608 17422.4011 0.0000 0.0000 34370.6920 -148813.0576 300.1678 -183183.7496 -148713.7769 300.3513 -56.6565 -25.4387 556512.0637 -14.1008 -14.0555 PRESSURE: 4118200 -134.882 149.19 -12.6915 149.19 -36.2354 -183.881 -12.6913 -183.881 -40.5449 GPRESSURE: 4118200 -135.216 168.974 -3.83796 166.333 42.7985 -145.443 25.7782 -147.754 -19.9365 PRESSAVG: 4118200 33.7419 66.5685 11.284 66.5686 -49.3682 -31.8447 11.284 -31.8447 -3.13568 GPRESSAVG: 4118200 34.2416 63.0118 10.4054 67.8139 -49.1957 -32.0703 15.0975 -30.5744 -3.61047 TIMING: 4118200 CPU: 12240.2, 0.00292752/step Wall: 12240.2, 0.00292752/step, 0.71708 hours remaining, 206.742188 MB of memory in use. ENERGY: 4118200 729.8249 2096.2541 1966.8887 114.3687 -205646.5279 17494.8705 0.0000 0.0000 34549.8552 -148694.4657 301.7325 -183244.3209 -148602.2600 300.3896 -70.5541 -37.4513 556918.2581 -6.2540 -6.1882 PRESSURE: 4118400 69.1889 140.038 -68.2478 140.039 66.0765 95.5682 -68.2486 95.5695 35.2294 GPRESSURE: 4118400 85.0247 118.988 -77.2121 179.52 111.703 94.3258 -121.792 14.5542 70.8707 PRESSAVG: 4118400 -85.6659 42.9217 20.3541 42.9217 -51.6333 -15.841 20.3541 -15.8411 118.692 GPRESSAVG: 4118400 -85.6676 44.0831 19.7767 41.0332 -51.6924 -14.75 18.1452 -16.8074 119.052 TIMING: 4118400 CPU: 12240.8, 0.00296874/step Wall: 12240.8, 0.00296874/step, 0.727011 hours remaining, 206.742188 MB of memory in use. ENERGY: 4118400 717.0842 2087.2074 1945.1161 109.9194 -205892.7735 17801.3382 0.0000 0.0000 34276.3846 -148955.7236 299.3442 -183232.1082 -148864.7007 300.2134 56.8316 89.1995 558161.9074 -6.2024 -6.1025 PRESSURE: 4118600 -170.231 -120.156 -118.771 -120.156 -36.5117 -96.2333 -118.77 -96.2345 12.7531 GPRESSURE: 4118600 -115.821 -40.3782 -59.6621 -131.399 -25.4901 -28.1865 -73.831 -90.244 43.089 PRESSAVG: 4118600 -21.0082 -13.489 -13.1655 -13.489 29.6036 9.48504 -13.1655 9.48493 8.44793 GPRESSAVG: 4118600 -20.7567 -14.91 -12.6625 -11.337 30.3328 9.54583 -14.517 9.46828 6.86195 TIMING: 4118600 CPU: 12241.4, 0.00298575/step Wall: 12241.4, 0.00298575/step, 0.73101 hours remaining, 206.742188 MB of memory in use. ENERGY: 4118600 748.8330 2110.9231 1926.4608 123.1925 -205841.3643 17683.9789 0.0000 0.0000 34331.0155 -148916.9604 299.8213 -183247.9759 -148820.3579 299.9425 -64.6630 -32.7406 557893.7414 5.6811 5.4793 PRESSURE: 4118800 -155.371 169.735 -94.8215 169.734 -287.99 -13.1979 -94.8193 -13.1981 -81.7285 GPRESSURE: 4118800 -133.362 131.928 -110.096 201.248 -250.129 -11.694 -68.8599 -60.6688 -54.0369 PRESSAVG: 4118800 -44.4297 9.264 -31.9409 9.26408 65.3246 -35.8212 -31.9409 -35.8212 5.9775 GPRESSAVG: 4118800 -44.3722 10.9514 -31.1291 5.93555 65.6065 -37.7111 -30.2087 -35.3196 5.1847 TIMING: 4118800 CPU: 12242, 0.00295522/step Wall: 12242, 0.00295522/step, 0.723373 hours remaining, 206.742188 MB of memory in use. ENERGY: 4118800 778.8173 2048.2184 1946.6986 117.9811 -206174.6581 17654.3413 0.0000 0.0000 34603.0797 -149025.5217 302.1973 -183628.6014 -148928.6176 300.0564 -175.0298 -145.8426 557637.9876 8.9575 8.8063 PRESSURE: 4119000 -171.679 24.7226 40.2319 24.7219 116.979 -74.8832 40.2331 -74.882 -134.146 GPRESSURE: 4119000 -67.5823 -20.3032 53.2829 7.14162 111.01 -84.0215 -24.1298 -51.4185 -124.83 PRESSAVG: 4119000 3.08731 32.2997 -32.9965 32.2997 -0.406439 5.80309 -32.9965 5.80318 15.2514 GPRESSAVG: 4119000 2.08918 34.2828 -34.0715 33.6309 -0.919486 6.06397 -32.6754 5.06986 17.0366 TIMING: 4119000 CPU: 12242.6, 0.0029725/step Wall: 12242.6, 0.0029725/step, 0.727438 hours remaining, 206.742188 MB of memory in use. ENERGY: 4119000 766.8360 2104.8048 1933.2368 101.2341 -205884.9800 17555.9583 0.0000 0.0000 34358.5120 -149064.3980 300.0614 -183422.9100 -148969.6158 299.8734 -62.9487 -27.1342 556760.7218 5.9774 6.0688 PRESSURE: 4119200 -306.987 57.7897 -120.277 57.7906 -316.092 99.914 -120.277 99.9146 -128.108 GPRESSURE: 4119200 -290.954 24.4746 -194.984 39.9429 -265.569 55.4671 -175.311 141.168 -98.3284 PRESSAVG: 4119200 -28.6343 -6.40084 -40.8096 -6.40075 9.1045 4.49113 -40.8096 4.49115 29.733 GPRESSAVG: 4119200 -29.1926 -8.15963 -39.0835 -4.88139 10.1587 5.51215 -42.0036 5.47298 29.07 TIMING: 4119200 CPU: 12243.2, 0.00298249/step Wall: 12243.2, 0.00298249/step, 0.729717 hours remaining, 206.742188 MB of memory in use. ENERGY: 4119200 731.5662 2112.5293 1946.1257 138.2934 -206094.8124 17567.0546 0.0000 0.0000 34329.2622 -149269.9811 299.8060 -183599.2433 -149180.1097 299.3900 -250.3959 -218.2837 558246.1724 3.4011 3.3454 PRESSURE: 4119400 -19.6518 -49.6796 47.7091 -49.6798 -2.40705 20.5015 47.7101 20.5021 236.119 GPRESSURE: 4119400 35.0048 -60.0718 78.4011 -74.6276 14.0563 22.9607 17.5828 -23.1549 249.794 PRESSAVG: 4119400 0.912265 -36.8713 1.98221 -36.8713 -17.9734 -10.1686 1.98216 -10.1686 24.6392 GPRESSAVG: 4119400 0.777258 -38.6249 2.10394 -37.0984 -18.1222 -11.5585 1.8883 -9.88026 25.2837 TIMING: 4119400 CPU: 12243.8, 0.00295165/step Wall: 12243.8, 0.00295165/step, 0.722006 hours remaining, 206.742188 MB of memory in use. ENERGY: 4119400 760.4044 2075.4785 1949.1666 121.7614 -206211.7619 17844.8319 0.0000 0.0000 34212.9349 -149247.1843 298.7901 -183460.1192 -149154.4068 298.8295 71.3533 99.6184 557172.4556 2.5260 2.6463 PRESSURE: 4119600 24.4063 -68.9929 41.2895 -68.9942 -255.216 132.817 41.2892 132.815 178.071 GPRESSURE: 4119600 56.3918 -125.277 12.1068 -8.23718 -222.265 236.253 30.7891 102.322 202.474 PRESSAVG: 4119600 -19.16 -17.8246 -44.2896 -17.8245 -48.4699 -35.8122 -44.2896 -35.8124 80.879 GPRESSAVG: 4119600 -17.9561 -16.7397 -44.0288 -18.6792 -49.3593 -34.4543 -45.66 -37.9164 80.6783 TIMING: 4119600 CPU: 12244.4, 0.00295881/step Wall: 12244.4, 0.00295881/step, 0.723594 hours remaining, 206.742188 MB of memory in use. ENERGY: 4119600 743.4047 2078.1385 1939.4344 101.3260 -206207.2647 17908.9193 0.0000 0.0000 34076.7265 -149359.3152 297.6005 -183436.0417 -149261.2423 299.0764 -17.5796 12.2001 557717.8311 4.4164 4.4543 PRESSURE: 4119800 52.3493 81.5412 106.583 81.5414 -14.9278 -38.0565 106.584 -38.0579 -34.488 GPRESSURE: 4119800 109.01 20.107 126.602 48.384 -11.7082 -142.755 48.7443 73.6238 7.13164 PRESSAVG: 4119800 19.8487 22.583 4.65718 22.5829 -20.8426 24.5082 4.65716 24.5083 27.0871 GPRESSAVG: 4119800 19.5625 21.6028 1.5728 23.39 -19.4958 22.9589 7.76853 27.1639 26.7146 TIMING: 4119800 CPU: 12245, 0.00295693/step Wall: 12245, 0.00295693/step, 0.722971 hours remaining, 207.000000 MB of memory in use. ENERGY: 4119800 761.8212 2096.9872 1984.9696 123.4515 -206373.4365 17920.2293 0.0000 0.0000 34009.0560 -149476.9217 297.0095 -183485.9776 -149379.2611 298.4615 0.9778 34.8110 557617.0730 8.6977 8.9271 PRESSURE: 4120000 32.7059 16.0148 -139.277 16.0153 -66.0204 148.152 -139.277 148.152 260.068 GPRESSURE: 4120000 37.5965 22.8754 -99.6086 10.8581 -38.1514 109.502 -119.07 190.757 327.045 PRESSAVG: 4120000 25.0658 -10.3513 -31.2136 -10.3512 -37.4688 10.1474 -31.2138 10.1476 -10.3371 GPRESSAVG: 4120000 26.2862 -10.4402 -27.9893 -8.93491 -38.4034 8.23373 -33.1088 9.68069 -10.5224 TIMING: 4120000 CPU: 12245.5, 0.00292097/step Wall: 12245.5, 0.00292097/step, 0.714015 hours remaining, 207.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4120000 755.6719 2100.3315 1980.4201 128.7172 -206432.1770 17904.1166 0.0000 0.0000 34177.4165 -149385.5032 298.4799 -183562.9197 -149289.3213 298.0000 75.5846 108.8302 558454.3246 -7.5800 -7.5465 PRESSURE: 4120200 -302.072 102.727 115.003 102.727 -71.6841 120.757 115.003 120.759 -14.8159 GPRESSURE: 4120200 -269.75 105.966 43.6408 63.4022 -24.6402 154.057 105.439 131.586 -1.26122 PRESSAVG: 4120200 -74.1671 -25.3818 -9.87169 -25.3817 -4.10755 -6.9595 -9.8716 -6.95937 29.4318 GPRESSAVG: 4120200 -74.7376 -25.316 -9.64989 -28.1913 -3.79938 -4.20103 -10.6645 -8.4929 29.4517 TIMING: 4120200 CPU: 12246.1, 0.00292164/step Wall: 12246.1, 0.00292164/step, 0.714018 hours remaining, 207.000000 MB of memory in use. ENERGY: 4120200 732.9239 2073.0014 1932.8501 125.9407 -206315.7946 17674.5881 0.0000 0.0000 34374.7283 -149401.7621 300.2031 -183776.4904 -149303.5823 298.5339 -129.5241 -98.5506 558016.7122 -16.2810 -16.3618 LDB: ============= START OF LOAD BALANCING ============== 12249.7 LDB: ============== END OF LOAD BALANCING =============== 12249.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12249.7 LDB: ============= START OF LOAD BALANCING ============== 12250 LDB: Largest compute 4809 load 0.024744 is 20.9% of average load 0.118314 LDB: Average compute 0.001734 is 1.5% of average load 0.118314 LDB: TIME 12250 LOAD: AVG 0.118314 MAX 0.194472 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 12250 LOAD: AVG 0.118314 MAX 0.194472 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: TIME 12250 LOAD: AVG 0.118314 MAX 0.194472 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: ============== END OF LOAD BALANCING =============== 12250 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12250 PRESSURE: 4120400 -223.484 -82.4668 -156.775 -82.467 -30.912 -77.5337 -156.774 -77.5341 -23.4673 GPRESSURE: 4120400 -157.207 -71.6969 -153.125 -97.7597 -11.712 -76.7786 -109.278 -29.793 -18.5356 PRESSAVG: 4120400 -23.3152 7.53492 -75.2952 7.53485 -35.0867 0.0370013 -75.2951 0.0369119 95.9023 GPRESSAVG: 4120400 -24.4295 11.6582 -75.5231 6.77804 -35.1522 -0.171882 -74.6929 0.532016 96.6315 TIMING: 4120400 CPU: 12246.7, 0.00297419/step Wall: 12246.7, 0.00297419/step, 0.726693 hours remaining, 208.023438 MB of memory in use. ENERGY: 4120400 776.6169 2124.2499 1948.0534 122.9807 -206281.8685 17791.3815 0.0000 0.0000 34030.0025 -149488.5836 297.1925 -183518.5861 -149399.5616 298.8419 -92.6212 -62.4847 558006.2486 12.5001 12.3499 PRESSURE: 4120600 77.3055 131.668 155.914 131.668 -163.966 -90.062 155.913 -90.0628 8.61543 GPRESSURE: 4120600 51.4705 162.858 107.348 140.85 -105.965 -76.1101 186.251 -67.1169 69.9429 PRESSAVG: 4120600 41.1816 -0.658217 -40.9976 -0.658117 -52.0308 16.4984 -40.9976 16.4984 26.6078 GPRESSAVG: 4120600 41.3136 -4.78782 -38.8449 1.01682 -51.676 15.6334 -42.3343 15.7848 26.2598 TIMING: 4120600 CPU: 12247.3, 0.00292056/step Wall: 12247.3, 0.00292056/step, 0.713429 hours remaining, 208.093750 MB of memory in use. ENERGY: 4120600 755.3003 2130.5437 1934.9627 112.6414 -206492.9613 17875.9707 0.0000 0.0000 34192.7005 -149490.8420 298.6134 -183683.5425 -149395.5959 298.2068 -26.0150 5.1493 557748.1975 5.2529 5.2991 PRESSURE: 4120800 232.78 294.763 -110.791 294.764 -72.8483 6.06076 -110.793 6.05966 -34.8228 GPRESSURE: 4120800 242.049 255.849 -84.3512 331.786 -23.9986 15.4934 8.55814 -37.652 2.61676 PRESSAVG: 4120800 70.4583 35.8007 -14.9227 35.8006 -54.3494 -22.6789 -14.9227 -22.6788 -70.2063 GPRESSAVG: 4120800 71.5039 38.2092 -17.2601 35.9279 -56.3038 -20.1464 -11.6355 -21.8448 -69.0432 TIMING: 4120800 CPU: 12247.9, 0.00290326/step Wall: 12247.9, 0.00290326/step, 0.709041 hours remaining, 208.093750 MB of memory in use. ENERGY: 4120800 745.8354 2097.4935 1908.3661 125.8885 -206515.7606 17930.4661 0.0000 0.0000 34162.6113 -149545.0997 298.3506 -183707.7110 -149444.0466 298.0908 41.7029 73.5558 556435.0648 -18.0325 -17.9477 PRESSURE: 4121000 99.2927 34.5575 -238.131 34.5569 -4.03473 41.2746 -238.131 41.2755 -73.9461 GPRESSURE: 4121000 107.782 -42.515 -283.088 75.5001 18.7436 74.9047 -160.47 78.7877 -2.62239 PRESSAVG: 4121000 54.8051 51.4603 -95.8531 51.4604 -47.0957 29.5215 -95.8531 29.5213 -30.4226 GPRESSAVG: 4121000 54.451 52.6954 -96.3158 50.0593 -45.9056 29.0515 -95.426 29.9353 -31.5269 TIMING: 4121000 CPU: 12248.5, 0.00294215/step Wall: 12248.5, 0.00294215/step, 0.718374 hours remaining, 208.093750 MB of memory in use. ENERGY: 4121000 758.1128 2151.9166 1945.3221 124.4129 -206267.9119 17569.5760 0.0000 0.0000 34172.1347 -149546.4368 298.4338 -183718.5715 -149451.8300 297.9524 7.1039 41.3012 556204.1771 -7.5710 -7.6605 PRESSURE: 4121200 15.9144 58.1342 -63.765 58.1363 90.1009 93.3099 -63.7657 93.3098 126.457 GPRESSURE: 4121200 17.5699 99.223 -8.82525 5.51638 135.478 220.008 -45.2447 116.258 170.718 PRESSAVG: 4121200 41.4353 11.924 -60.4216 11.924 -31.4709 42.5307 -60.4217 42.5307 -18.298 GPRESSAVG: 4121200 41.8891 10.1365 -58.5043 11.8518 -31.1613 42.152 -63.422 42.2131 -19.1295 TIMING: 4121200 CPU: 12249.1, 0.00293411/step Wall: 12249.1, 0.00293411/step, 0.716249 hours remaining, 208.093750 MB of memory in use. ENERGY: 4121200 761.4649 2141.1260 1930.8874 113.0086 -206610.6188 17964.9120 0.0000 0.0000 34187.6838 -149511.5361 298.5695 -183699.2199 -149420.5605 297.6786 77.4908 107.9220 556489.6163 -2.7779 -2.8006 PRESSURE: 4121400 -180.379 56.7772 39.5146 56.7767 151.615 -75.9075 39.5144 -75.9096 -139.314 GPRESSURE: 4121400 -167.573 25.646 75.2754 27.828 156.898 -68.5489 122.206 -65.1833 -76.3562 PRESSAVG: 4121400 32.5939 -14.0671 -25.7492 -14.0671 6.83611 -7.92417 -25.7492 -7.92415 12.8117 GPRESSAVG: 4121400 32.7631 -14.633 -26.6895 -14.7577 5.33121 -9.22349 -22.9356 -7.83082 14.4675 TIMING: 4121400 CPU: 12249.6, 0.00292484/step Wall: 12249.6, 0.00292484/step, 0.713823 hours remaining, 208.093750 MB of memory in use. ENERGY: 4121400 727.0021 2080.6022 1946.9568 115.8230 -206046.0292 17720.9711 0.0000 0.0000 34059.8750 -149394.7990 297.4534 -183454.6740 -149292.4328 298.6989 -56.0260 -29.0105 557685.6000 17.4139 17.5206 PRESSURE: 4121600 248.172 12.7706 213.704 12.7698 326.003 -143.836 213.706 -143.835 217.091 GPRESSURE: 4121600 262.595 54.7087 184.297 56.5604 396.719 -217.402 172.537 -159.973 226.524 PRESSAVG: 4121600 104.152 36.8699 42.1166 36.8699 -40.0273 -10.7759 42.1165 -10.7759 -61.459 GPRESSAVG: 4121600 104.104 37.5267 42.4533 38.195 -40.0603 -10.3058 40.269 -13.1058 -60.9767 TIMING: 4121600 CPU: 12250.2, 0.00293716/step Wall: 12250.2, 0.00293716/step, 0.716668 hours remaining, 208.093750 MB of memory in use. ENERGY: 4121600 769.4040 2095.9275 1928.1281 122.4016 -206786.3595 18154.7520 0.0000 0.0000 34325.9356 -149389.8107 299.7769 -183715.7462 -149290.4111 298.7132 263.7551 295.2793 556538.6879 0.8886 1.0224 PRESSURE: 4121800 -37.2476 113.981 8.349 113.981 -191.156 -13.5428 8.34817 -13.5434 -86.5027 GPRESSURE: 4121800 51.7865 72.3217 52.0957 164.591 -180.723 30.3979 -24.5336 -47.759 -69.5371 PRESSAVG: 4121800 69.6945 27.8499 72.8069 27.8498 -65.9315 -10.8336 72.807 -10.8335 60.551 GPRESSAVG: 4121800 69.6579 27.7399 74.0684 28.8945 -64.9852 -12.5806 73.1981 -8.93604 60.0094 TIMING: 4121800 CPU: 12250.8, 0.0029268/step Wall: 12250.8, 0.0029268/step, 0.713978 hours remaining, 208.093750 MB of memory in use. ENERGY: 4121800 728.3980 2058.2272 1946.4957 115.5185 -206326.1902 17753.9795 0.0000 0.0000 34299.2022 -149424.3692 299.5435 -183723.5714 -149327.4863 298.9257 -104.9686 -66.1579 556938.3247 21.4380 21.5607 PRESSURE: 4122000 -96.5473 -62.7402 -50.0683 -62.7395 -168.578 -56.4897 -50.0691 -56.4884 -22.0402 GPRESSURE: 4122000 -7.38808 -85.3101 -49.1893 -73.6116 -90.8135 -47.0813 -96.0515 -22.9007 -82.8958 PRESSAVG: 4122000 -13.6734 24.5412 -25.6603 24.5412 -13.898 -38.0291 -25.6602 -38.0291 44.2778 GPRESSAVG: 4122000 -13.0518 25.3391 -26.8361 22.4123 -13.5106 -35.1799 -26.5656 -37.6459 43.4005 TIMING: 4122000 CPU: 12251.4, 0.0029424/step Wall: 12251.4, 0.0029424/step, 0.717618 hours remaining, 208.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4122000 746.3323 2059.7468 1944.7401 125.8391 -206495.0819 17762.8976 0.0000 0.0000 34457.8300 -149397.6960 300.9288 -183855.5260 -149298.0406 298.9414 -95.7220 -60.3658 556334.8046 5.5688 5.6127 PRESSURE: 4122200 151.767 -104.557 105.517 -104.557 336.187 183.612 105.515 183.612 198.086 GPRESSURE: 4122200 192.955 -91.0001 104.082 -46.4458 399.081 122.126 52.8059 237.483 179.733 PRESSAVG: 4122200 55.4931 -18.3656 -24.219 -18.3656 -13.8678 36.1871 -24.2191 36.1871 5.98336 GPRESSAVG: 4122200 55.8404 -19.6234 -25.14 -17.109 -14.2087 35.4844 -22.0321 35.7556 6.21452 TIMING: 4122200 CPU: 12252, 0.00295454/step Wall: 12252, 0.00295454/step, 0.720416 hours remaining, 208.093750 MB of memory in use. ENERGY: 4122200 742.6514 2124.4788 1930.6402 112.4157 -206304.7999 18038.3910 0.0000 0.0000 34063.2281 -149292.9947 297.4826 -183356.2228 -149200.9953 298.2265 228.6800 257.2564 556009.3193 15.8695 15.9487 PRESSURE: 4122400 -51.3465 -32.5338 -53.2023 -32.5334 -117.093 -81.6834 -53.2025 -81.6818 -9.73917 GPRESSURE: 4122400 32.259 -31.6434 -85.1461 -30.8911 -49.4219 -10.7877 -44.1092 -184.196 -58.3419 PRESSAVG: 4122400 -5.06371 -12.4095 -5.80259 -12.4094 17.1852 39.1931 -5.80257 39.1931 -20.1635 GPRESSAVG: 4122400 -4.32948 -11.4388 -5.3133 -13.8965 17.5296 37.3859 -7.39151 39.9846 -21.6579 TIMING: 4122400 CPU: 12252.6, 0.00295154/step Wall: 12252.6, 0.00295154/step, 0.71952 hours remaining, 208.093750 MB of memory in use. ENERGY: 4122400 730.9676 2106.6944 1934.6302 123.2295 -206263.7484 17828.8634 0.0000 0.0000 34262.5227 -149276.8405 299.2231 -183539.3632 -149182.0307 298.7033 -59.3929 -25.1683 557202.7970 -2.6806 -2.8193 PRESSURE: 4122600 -243.148 -2.97473 53.0157 -2.97579 -230.805 28.5857 53.0151 28.585 18.2307 GPRESSURE: 4122600 -215.977 8.54185 56.3994 21.3756 -207.516 53.7264 92.9383 32.4693 70.9732 PRESSAVG: 4122600 33.1631 4.22859 -12.0963 4.22875 -22.0604 -7.24627 -12.0963 -7.24638 6.31875 GPRESSAVG: 4122600 31.0889 4.39147 -9.96281 6.06319 -21.5333 -4.31382 -12.5415 -7.86918 8.26683 TIMING: 4122600 CPU: 12253.2, 0.00294491/step Wall: 12253.2, 0.00294491/step, 0.717739 hours remaining, 208.093750 MB of memory in use. ENERGY: 4122600 744.3013 2119.1087 1933.7199 116.1947 -205967.9238 17641.0333 0.0000 0.0000 34174.7763 -149238.7895 298.4568 -183413.5659 -149137.0469 298.7732 -151.9075 -117.5066 559375.5911 5.8072 5.9408 PRESSURE: 4122800 -145.299 90.0934 -72.4281 90.0926 -35.0207 -217.439 -72.4281 -217.439 232.294 GPRESSURE: 4122800 -117.359 32.131 77.8721 128.613 -52.5434 -141.66 -52.4535 -202.217 317.997 PRESSAVG: 4122800 -40.2369 95.5702 -0.716162 95.5702 46.5124 -23.106 -0.716179 -23.1059 -0.202683 GPRESSAVG: 4122800 -39.6523 94.4891 -1.55481 95.0921 47.9757 -22.7454 -0.824519 -23.5774 -1.73582 TIMING: 4122800 CPU: 12253.8, 0.00292209/step Wall: 12253.8, 0.00292209/step, 0.712016 hours remaining, 208.093750 MB of memory in use. ENERGY: 4122800 712.3711 2080.9967 1970.7879 123.2369 -206402.4116 17890.8318 0.0000 0.0000 34405.2252 -149218.9621 300.4694 -183624.1873 -149127.8997 299.9795 17.3246 49.3651 557607.0191 2.0242 2.1959 PRESSURE: 4123000 -72.1132 21.2386 287.084 21.2385 64.195 41.4192 287.083 41.4204 19.7863 GPRESSURE: 4123000 -33.3154 -44.776 315.583 10.0688 119.381 27.1531 272.767 5.43371 25.3137 PRESSAVG: 4123000 -69.3563 10.6135 26.6749 10.6134 52.791 -0.232653 26.675 -0.232674 -33.1689 GPRESSAVG: 4123000 -69.592 11.2003 26.0507 12.2652 51.8242 -3.73092 27.9337 3.10184 -31.8238 TIMING: 4123000 CPU: 12254.3, 0.00293881/step Wall: 12254.3, 0.00293882/step, 0.715928 hours remaining, 208.093750 MB of memory in use. ENERGY: 4123000 757.8959 2097.7065 1938.4934 119.6582 -206387.4767 17883.2386 0.0000 0.0000 34432.6214 -149157.8625 300.7086 -183590.4840 -149064.6711 299.3364 3.9560 37.1266 556757.3046 -16.5781 -16.5305 PRESSURE: 4123200 -126.673 -183.049 -130.91 -183.048 -190.692 -22.3247 -130.911 -22.3246 133.194 GPRESSURE: 4123200 -71.2987 -112.401 -104.398 -177.094 -143.259 3.97372 -111.026 41.8143 132.076 PRESSAVG: 4123200 -7.62987 4.64618 45.6767 4.64615 11.0769 18.7512 45.6767 18.7512 12.54 GPRESSAVG: 4123200 -6.99685 3.25613 46.7322 2.82009 11.6896 20.4861 44.4034 17.8141 11.3009 TIMING: 4123200 CPU: 12254.9, 0.00296517/step Wall: 12254.9, 0.00296517/step, 0.722185 hours remaining, 208.093750 MB of memory in use. ENERGY: 4123200 737.8234 2079.1943 1938.5724 106.0980 -205888.3345 17677.1698 0.0000 0.0000 34291.0471 -149058.4294 299.4722 -183349.4765 -148957.8660 299.6087 -61.3902 -27.4938 557763.4795 5.3290 5.3312 PRESSURE: 4123400 -77.1821 50.524 172.994 50.5238 -82.9482 -185.344 172.995 -185.344 -66.8561 GPRESSURE: 4123400 -27.0554 -17.1198 215.132 103.966 -79.5251 -207.635 100.28 -233.909 -22.858 PRESSAVG: 4123400 -56.3841 -24.9067 17.9681 -24.9067 14.4165 8.98737 17.9681 8.9874 15.5225 GPRESSAVG: 4123400 -56.516 -23.5141 18.0907 -23.0094 13.8856 9.0388 19.1432 8.18263 15.8301 TIMING: 4123400 CPU: 12255.5, 0.00298088/step Wall: 12255.5, 0.00298088/step, 0.725843 hours remaining, 208.093750 MB of memory in use. ENERGY: 4123400 793.5312 2106.1788 1928.4684 109.9173 -206299.4936 17849.6597 0.0000 0.0000 34449.4332 -149062.3051 300.8555 -183511.7382 -148962.5101 299.8944 -75.6621 -43.1462 557787.6871 -8.8150 -8.9334 PRESSURE: 4123600 -373.036 74.098 -14.1698 74.098 -190.677 76.3239 -14.1704 76.3231 -176.888 GPRESSURE: 4123600 -366.844 97.9314 -10.7659 5.97687 -189.209 93.4085 -45.4875 21.1838 -93.0336 PRESSAVG: 4123600 -66.3761 49.8209 33.0718 49.8209 75.8966 -26.1353 33.0719 -26.1353 16.3304 GPRESSAVG: 4123600 -65.2145 51.161 32.0835 48.2885 75.0858 -25.2207 32.6835 -27.5995 16.0448 TIMING: 4123600 CPU: 12256.1, 0.00297544/step Wall: 12256.1, 0.00297544/step, 0.724353 hours remaining, 208.093750 MB of memory in use. ENERGY: 4123600 766.6295 2127.8075 1921.3670 108.5851 -205746.2488 17510.1319 0.0000 0.0000 34174.6497 -149137.0780 298.4557 -183311.7277 -149041.4623 299.5110 -246.8672 -216.3620 559734.9088 8.6170 8.6387 PRESSURE: 4123800 187.938 -155.555 -67.9253 -155.555 -8.24548 -117.348 -67.9259 -117.348 45.3093 GPRESSURE: 4123800 221.226 -62.4837 -14.6978 -200.925 60.0659 -73.7684 -136.04 -103.386 47.4812 PRESSAVG: 4123800 -17.3703 36.5795 -0.280534 36.5795 5.09571 -28.9801 -0.280512 -28.9801 -9.47009 GPRESSAVG: 4123800 -18.0321 35.6508 0.955303 36.3705 5.31158 -30.4983 -0.0304494 -27.7379 -8.89331 TIMING: 4123800 CPU: 12256.7, 0.00295895/step Wall: 12256.7, 0.00295895/step, 0.720176 hours remaining, 208.093750 MB of memory in use. ENERGY: 4123800 768.8737 2096.5773 1940.1167 113.8082 -206203.0501 17996.7526 0.0000 0.0000 34181.5189 -149105.4028 298.5157 -183286.9217 -149011.2848 299.6290 75.0007 109.5910 557890.8226 -7.2482 -7.2046 PRESSURE: 4124000 241.563 -145.535 71.6925 -145.535 10.8469 205.198 71.6923 205.197 181.113 GPRESSURE: 4124000 236.732 -107.12 65.5443 -161.74 61.906 237.822 97.2593 135.117 229.258 PRESSAVG: 4124000 -8.41745 -83.1379 22.4542 -83.1378 26.7431 -20.8417 22.4541 -20.8415 -6.17725 GPRESSAVG: 4124000 -9.22823 -81.8718 23.7006 -83.3506 26.8345 -18.6225 21.1739 -20.3096 -5.60094 TIMING: 4124000 CPU: 12257.3, 0.00292848/step Wall: 12257.3, 0.00292848/step, 0.712596 hours remaining, 208.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4124000 736.6629 2103.0924 1928.1370 118.5980 -206332.4451 18093.4087 0.0000 0.0000 34397.3474 -148955.1987 300.4006 -183352.5461 -148853.6135 299.6204 144.5074 175.9654 556677.5721 4.0494 4.0018 PRESSURE: 4124200 -9.69684 4.61756 -189.196 4.6193 -98.0909 -213.166 -189.196 -213.166 35.2615 GPRESSURE: 4124200 42.6793 -27.2032 -271.071 9.48406 -86.1734 -176.805 -158.379 -234.826 64.2428 PRESSAVG: 4124200 -24.1295 -5.22265 4.44901 -5.22266 22.166 -42.8352 4.44888 -42.8351 24.5677 GPRESSAVG: 4124200 -23.7013 -5.73976 -0.542672 -5.62969 22.4476 -41.53 6.95403 -44.5194 23.8609 TIMING: 4124200 CPU: 12257.9, 0.00291521/step Wall: 12257.9, 0.0029152/step, 0.709205 hours remaining, 208.093750 MB of memory in use. ENERGY: 4124200 734.9916 2119.6449 1945.7737 127.5344 -206128.7518 17821.4808 0.0000 0.0000 34447.7315 -148931.5949 300.8406 -183379.3264 -148823.7902 300.4603 -24.1754 6.9162 558289.3985 7.5347 7.5357 LDB: ============= START OF LOAD BALANCING ============== 12261.4 LDB: ============== END OF LOAD BALANCING =============== 12261.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12261.4 LDB: ============= START OF LOAD BALANCING ============== 12261.7 LDB: Largest compute 4809 load 0.024065 is 20.4% of average load 0.118235 LDB: Average compute 0.001727 is 1.5% of average load 0.118235 LDB: TIME 12261.7 LOAD: AVG 0.118235 MAX 0.196148 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.055 MB LDB: TIME 12261.7 LOAD: AVG 0.118235 MAX 0.196148 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.258 MB LDB: TIME 12261.7 LOAD: AVG 0.118235 MAX 0.196148 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.258 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12261.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12261.7 PRESSURE: 4124400 47.0946 -86.5312 -137.99 -86.5317 36.8158 68.3239 -137.99 68.3236 159.223 GPRESSURE: 4124400 130.186 -102.45 -175.832 -117.414 81.7615 57.7969 -152.228 41.7443 124.884 PRESSAVG: 4124400 2.58673 16.7726 21.1632 16.7726 -45.0384 6.79608 21.1633 6.79601 49.4996 GPRESSAVG: 4124400 1.70065 14.2847 24.6202 19.1049 -44.5159 2.80756 19.7673 8.48966 49.9668 TIMING: 4124400 CPU: 12258.5, 0.00300229/step Wall: 12258.5, 0.00300229/step, 0.730225 hours remaining, 207.054688 MB of memory in use. ENERGY: 4124400 752.4612 2114.4491 1915.1243 126.4939 -206900.2046 18247.0473 0.0000 0.0000 34657.0732 -149087.5556 302.6688 -183744.6288 -148986.7327 300.2669 81.0445 112.2772 557007.0041 2.3493 2.3838 PRESSURE: 4124600 -201.484 73.6539 129.525 73.6524 -67.418 -2.9124 129.524 -2.91154 -407.129 GPRESSURE: 4124600 -209.947 38.3155 81.7811 143.866 -62.6906 0.855854 150.981 19.3908 -304.928 PRESSAVG: 4124600 -36.4222 2.22778 32.0972 2.22765 8.44762 42.9276 32.0972 42.9276 45.9235 GPRESSAVG: 4124600 -35.7427 3.34952 30.4631 3.55657 6.84411 43.7513 33.6278 43.8983 46.7536 TIMING: 4124600 CPU: 12259.1, 0.00291048/step Wall: 12259.1, 0.00291048/step, 0.707731 hours remaining, 207.054688 MB of memory in use. ENERGY: 4124600 734.8704 2198.3874 1930.8840 104.6152 -206299.5600 17573.2334 0.0000 0.0000 34426.9444 -149330.6252 300.6591 -183757.5695 -149237.1643 299.5374 -225.3436 -192.5219 556722.5833 5.9830 5.9516 PRESSURE: 4124800 -420.941 -68.8275 -92.1098 -68.8272 84.4944 22.7337 -92.1095 22.7332 47.7114 GPRESSURE: 4124800 -357.472 13.0766 -100.722 -190.076 54.6787 18.3859 -83.5275 13.0872 104.924 PRESSAVG: 4124800 9.82923 13.5736 2.56886 13.5736 -42.1936 41.7503 2.56886 41.7503 11.4544 GPRESSAVG: 4124800 10.5513 15.1388 4.059 10.7486 -40.213 40.4264 -0.127806 42.2113 8.99975 TIMING: 4124800 CPU: 12259.7, 0.00293341/step Wall: 12259.7, 0.00293341/step, 0.713144 hours remaining, 207.054688 MB of memory in use. ENERGY: 4124800 787.2565 2126.5924 1913.8840 101.3831 -206502.4012 17760.2664 0.0000 0.0000 34441.2909 -149371.7279 300.7844 -183813.0188 -149280.3305 298.5776 -96.2452 -65.9565 555913.5512 -6.9700 -6.8873 PRESSURE: 4125000 -124.159 -105.297 5.00535 -105.297 -188.669 29.708 5.0058 29.7079 -204.07 GPRESSURE: 4125000 -137.288 -101.846 48.1998 -46.4555 -96.7992 82.1752 -20.3011 -9.91849 -191.655 PRESSAVG: 4125000 -70.225 39.6481 -4.42121 39.6482 6.06365 36.7511 -4.42119 36.7512 52.6661 GPRESSAVG: 4125000 -71.3845 40.5965 -4.97079 40.0947 5.16849 38.6445 -2.41509 33.6566 54.6158 TIMING: 4125000 CPU: 12260.3, 0.00294593/step Wall: 12260.3, 0.00294593/step, 0.716024 hours remaining, 207.054688 MB of memory in use. ENERGY: 4125000 745.4290 2104.1198 1946.6845 117.4510 -206269.9739 17685.7532 0.0000 0.0000 34496.7365 -149173.7999 301.2686 -183670.5364 -149078.3400 298.8822 -172.2996 -141.9142 557667.4950 -3.8318 -3.8667 PRESSURE: 4125200 160.561 89.9626 -49.2104 89.9623 -54.5138 73.199 -49.2102 73.1994 -9.30586 GPRESSURE: 4125200 239.287 84.4972 -19.5716 128.514 -24.452 192.186 -128.224 40.547 -9.7521 PRESSAVG: 4125200 27.4318 -9.68378 5.56034 -9.68379 19.635 -26.6794 5.56032 -26.6794 33.7223 GPRESSAVG: 4125200 27.4047 -12.4732 5.59049 -9.32106 20.6451 -28.846 4.27922 -23.3926 32.7748 TIMING: 4125200 CPU: 12260.8, 0.00293239/step Wall: 12260.8, 0.00293239/step, 0.712571 hours remaining, 207.054688 MB of memory in use. ENERGY: 4125200 751.9912 2089.3863 1969.8670 115.1627 -205931.6195 17703.7443 0.0000 0.0000 34198.5095 -149102.9585 298.6641 -183301.4680 -149007.7070 299.9005 32.2471 68.3608 558648.0119 26.9297 26.9415 PRESSURE: 4125400 -221.874 248.57 31.1144 248.57 54.8814 16.7903 31.1139 16.7906 -108.307 GPRESSURE: 4125400 -132.768 214.937 31.3591 198.928 82.9032 -24.5843 17.1853 39.0898 -132.422 PRESSAVG: 4125400 93.7135 36.7531 -47.2185 36.7531 -91.5915 22.6077 -47.2185 22.6075 -7.98981 GPRESSAVG: 4125400 93.966 39.7095 -47.357 36.0022 -92.5828 25.3643 -45.7445 21.8433 -7.07576 TIMING: 4125400 CPU: 12261.4, 0.00294124/step Wall: 12261.4, 0.00294124/step, 0.714557 hours remaining, 207.054688 MB of memory in use. ENERGY: 4125400 775.0423 2112.0442 1928.4504 121.7889 -205884.8590 17459.5141 0.0000 0.0000 34167.2744 -149320.7447 298.3913 -183488.0191 -149220.9897 299.2370 -91.7666 -60.7625 557114.3282 -1.9559 -1.8975 PRESSURE: 4125600 42.1858 -168.439 29.0629 -168.438 291.428 -16.0023 29.0628 -16.003 163.413 GPRESSURE: 4125600 73.4316 -181.334 29.1228 -119.785 306.088 10.4307 59.2527 -16.2297 207.696 PRESSAVG: 4125600 28.3933 55.4659 -44.878 55.4659 -63.7365 -2.32653 -44.878 -2.32638 12.3896 GPRESSAVG: 4125600 27.7582 55.0873 -45.0249 56.7979 -62.7615 -4.01743 -44.4523 -2.16274 11.9561 TIMING: 4125600 CPU: 12262, 0.00292358/step Wall: 12262, 0.00292358/step, 0.710106 hours remaining, 207.054688 MB of memory in use. ENERGY: 4125600 702.8093 2094.5174 1943.0173 114.7128 -206534.4772 18040.8678 0.0000 0.0000 34404.3495 -149234.2032 300.4617 -183638.5527 -149141.5607 298.4712 165.6758 195.7383 557550.7511 -7.6512 -7.6824 PRESSURE: 4125800 -199.111 160.225 -49.0155 160.225 147.948 -6.86361 -49.0155 -6.86354 -70.3934 GPRESSURE: 4125800 -200.619 178.033 -18.4922 208.692 208.075 42.13 -75.8421 3.65875 -34.5886 PRESSAVG: 4125800 9.80563 -19.0509 -18.8606 -19.051 -3.47573 22.7524 -18.8607 22.7524 39.1247 GPRESSAVG: 4125800 10.3699 -21.5149 -19.9402 -19.5418 -5.0266 24.01 -21.027 21.2525 39.7608 TIMING: 4125800 CPU: 12262.6, 0.0029327/step Wall: 12262.6, 0.0029327/step, 0.712158 hours remaining, 207.312500 MB of memory in use. ENERGY: 4125800 727.7312 2103.5534 1934.7872 106.8405 -205997.0133 17686.5548 0.0000 0.0000 34101.1459 -149336.4002 297.8138 -183437.5462 -149244.9800 299.2904 -40.5188 -9.0444 558281.9635 15.1515 15.0347 PRESSURE: 4126000 -264.882 127.668 -107.799 127.668 -122.052 176.28 -107.799 176.281 -170.144 GPRESSURE: 4126000 -253.683 100.375 -153.321 148.499 -90.7965 128.727 -90.3418 132.179 -116.649 PRESSAVG: 4126000 -22.0041 20.9306 -24.0449 20.9306 16.7644 20.1393 -24.0448 20.1393 -13.9578 GPRESSAVG: 4126000 -21.9399 19.4316 -22.2599 22.722 17.1929 18.2869 -24.6185 21.2129 -14.1484 TIMING: 4126000 CPU: 12263.2, 0.00292432/step Wall: 12263.2, 0.00292432/step, 0.70996 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4126000 765.9292 2090.0392 1965.1526 112.9936 -205968.1118 17573.3393 0.0000 0.0000 34250.2448 -149210.4131 299.1159 -183460.6580 -149114.2317 299.3757 -185.6924 -153.7096 559179.3363 -6.3991 -6.2984 PRESSURE: 4126200 -88.2464 -100.422 -0.756193 -100.422 -145.468 110.335 -0.756567 110.335 -90.95 GPRESSURE: 4126200 -50.0568 -32.5273 97.5832 -129.756 -106.964 59.0943 -87.9513 100.948 -67.4461 PRESSAVG: 4126200 -30.4696 -73.3437 -11.6746 -73.3438 15.3879 22.5019 -11.6745 22.5019 -21.0363 GPRESSAVG: 4126200 -29.696 -72.6462 -11.0084 -74.3433 15.6293 21.6187 -10.8793 23.1996 -21.6855 TIMING: 4126200 CPU: 12263.8, 0.00291911/step Wall: 12263.8, 0.00291911/step, 0.708532 hours remaining, 207.312500 MB of memory in use. ENERGY: 4126200 716.6197 2099.6144 1930.4575 128.8344 -206099.0387 17618.9677 0.0000 0.0000 34467.5357 -149137.0093 301.0136 -183604.5450 -149041.1352 299.4372 -108.2214 -74.8224 557246.7843 -12.0393 -11.9174 PRESSURE: 4126400 -74.6772 -113.653 52.265 -113.652 -89.6553 34.822 52.2647 34.8224 116.649 GPRESSURE: 4126400 -84.4968 -56.5975 -1.43953 -86.1679 -73.2731 73.5513 -4.43042 -40.3513 194.548 PRESSAVG: 4126400 11.3685 5.53329 -23.1031 5.53341 -37.7484 5.84221 -23.1031 5.84214 -10.9838 GPRESSAVG: 4126400 10.8721 7.78259 -26.0312 4.78787 -37.4947 6.47701 -22.8348 3.54265 -11.1461 TIMING: 4126400 CPU: 12264.4, 0.00293102/step Wall: 12264.4, 0.00293102/step, 0.71126 hours remaining, 207.312500 MB of memory in use. ENERGY: 4126400 746.5991 2126.8195 1946.6774 127.8353 -206306.3935 17789.1580 0.0000 0.0000 34540.5857 -149028.7185 301.6515 -183569.3043 -148934.3456 300.3506 -15.8945 12.2593 557802.5613 -12.4546 -12.5895 PRESSURE: 4126600 -73.908 -37.3618 -55.4291 -37.3616 -107.269 125.756 -55.4288 125.758 -53.4708 GPRESSURE: 4126600 -71.4674 22.7703 -40.3746 -41.7563 -45.2572 58.7526 -61.5967 231.026 -26.8956 PRESSAVG: 4126600 -15.5528 -47.7785 58.707 -47.7785 -77.6571 28.4185 58.707 28.4185 60.8093 GPRESSAVG: 4126600 -15.7238 -48.0912 61.1192 -49.8356 -76.8208 29.5343 57.3939 28.5765 59.7704 TIMING: 4126600 CPU: 12264.9, 0.00294004/step Wall: 12264.9, 0.00294004/step, 0.713287 hours remaining, 207.312500 MB of memory in use. ENERGY: 4126600 775.7190 2053.8597 1982.8113 113.1337 -206013.8538 17668.3411 0.0000 0.0000 34320.8109 -149099.1780 299.7322 -183419.9889 -148997.3300 299.9917 -78.2159 -47.8734 557425.1776 -10.8002 -10.9247 PRESSURE: 4126800 5.19665 -175.961 144.769 -175.961 -117.102 -148.325 144.77 -148.325 -16.5792 GPRESSURE: 4126800 15.9738 -255.95 105.56 -102.906 -96.7424 -125.347 116.998 -105.519 47.6883 PRESSAVG: 4126800 29.7812 -11.2028 44.7541 -11.2027 34.0253 -24.6565 44.754 -24.6564 -32.6568 GPRESSAVG: 4126800 30.1348 -14.3675 44.5453 -8.20528 32.5692 -24.6547 45.0487 -24.2756 -31.1318 TIMING: 4126800 CPU: 12265.5, 0.0029603/step Wall: 12265.5, 0.0029603/step, 0.718037 hours remaining, 207.312500 MB of memory in use. ENERGY: 4126800 739.3905 2101.8634 1958.8454 110.0138 -206154.3105 17788.4845 0.0000 0.0000 34395.8518 -149059.8611 300.3875 -183455.7129 -148967.3174 299.9921 -42.8283 -11.0268 557668.5969 10.3832 10.5241 PRESSURE: 4127000 135.282 10.6177 84.1689 10.6174 59.551 22.2817 84.1694 22.2813 404.253 GPRESSURE: 4127000 136.356 -46.3559 168.417 27.1189 90.3229 -106.645 97.9101 38.0654 463.606 PRESSAVG: 4127000 -59.1212 -12.2503 1.01577 -12.2503 -8.21297 -21.3947 1.01582 -21.3947 41.3305 GPRESSAVG: 4127000 -58.5427 -10.1227 2.61237 -13.8814 -8.04932 -22.2542 1.23285 -21.7664 40.8043 TIMING: 4127000 CPU: 12266.1, 0.00295078/step Wall: 12266.1, 0.00295078/step, 0.715565 hours remaining, 207.312500 MB of memory in use. ENERGY: 4127000 742.1972 2163.3792 1941.5266 120.9329 -206299.3038 17992.4895 0.0000 0.0000 34355.7250 -148983.0536 300.0371 -183338.7785 -148886.2228 300.4540 199.6952 230.0949 556336.3128 -8.6679 -8.5959 PRESSURE: 4127200 -226.199 -2.47799 7.73841 -2.47798 -26.0304 -178.56 7.73843 -178.56 -167.787 GPRESSURE: 4127200 -187.164 22.3662 44.3402 -30.4568 -11.9669 -166.695 6.386 -186.29 -111.652 PRESSAVG: 4127200 -50.4009 -10.1991 10.2491 -10.1992 36.1102 -37.6529 10.2491 -37.6529 1.72093 GPRESSAVG: 4127200 -51.2056 -9.87752 9.59517 -13.3576 36.9711 -36.0679 9.13008 -37.585 1.60614 TIMING: 4127200 CPU: 12266.7, 0.00296245/step Wall: 12266.7, 0.00296245/step, 0.718229 hours remaining, 207.312500 MB of memory in use. ENERGY: 4127200 762.2449 2088.6445 1914.6899 103.4126 -205944.4327 17656.8929 0.0000 0.0000 34468.4861 -148950.0616 301.0219 -183418.5478 -148850.6694 300.2737 -140.0053 -103.5943 557717.1195 -4.1899 -4.2095 PRESSURE: 4127400 116.736 -80.2058 -184.265 -80.2069 132.918 48.623 -184.265 48.6232 -57.2057 GPRESSURE: 4127400 135.16 -149.708 -269.849 -12.7939 144.79 -1.92355 -67.7107 61.4987 0.754161 PRESSAVG: 4127400 19.5847 -54.0822 -16.8352 -54.0822 -0.450217 11.6323 -16.8352 11.6324 -10.961 GPRESSAVG: 4127400 19.6723 -54.8621 -18.5201 -51.5779 -0.484133 10.8984 -15.7224 12.5595 -11.6291 TIMING: 4127400 CPU: 12267.3, 0.00295023/step Wall: 12267.3, 0.00295023/step, 0.715103 hours remaining, 207.312500 MB of memory in use. ENERGY: 4127400 755.3411 2099.7948 1948.1931 104.4849 -206118.8564 18002.2931 0.0000 0.0000 34288.6830 -148920.0664 299.4516 -183208.7493 -148823.6719 300.0135 64.1494 93.5680 557831.0051 2.7245 2.5197 PRESSURE: 4127600 -109.818 -97.6148 -8.11008 -97.6152 -0.252002 -175.183 -8.10952 -175.184 -85.6872 GPRESSURE: 4127600 -97.6803 -145.846 -56.4116 41.9848 82.7137 -212.866 -6.71628 -140.885 -82.3919 PRESSAVG: 4127600 -15.8339 71.996 25.5608 71.9959 4.59109 -25.9092 25.5607 -25.9092 -7.49008 GPRESSAVG: 4127600 -15.4865 73.517 26.672 72.2595 4.19467 -25.2032 25.0143 -25.9326 -7.63128 TIMING: 4127600 CPU: 12267.9, 0.00293812/step Wall: 12267.9, 0.00293812/step, 0.712005 hours remaining, 207.312500 MB of memory in use. ENERGY: 4127600 763.2847 2083.4018 1933.6385 106.5392 -205885.3869 17781.5446 0.0000 0.0000 34357.8647 -148859.1134 300.0558 -183216.9781 -148768.6449 300.3654 -65.2522 -32.4528 557986.0194 -6.2443 -6.3077 PRESSURE: 4127800 -200.589 -66.2542 115.315 -66.2545 -118.496 -2.67952 115.316 -2.67887 49.8396 GPRESSURE: 4127800 -114.018 -46.561 148.132 -87.5589 -60.7977 -7.14548 94.4376 27.0539 8.48555 PRESSAVG: 4127800 -25.2084 74.0345 28.1549 74.0345 73.8703 -38.3994 28.1549 -38.3993 -32.9914 GPRESSAVG: 4127800 -25.0569 74.9957 28.1098 73.4427 74.3497 -39.2046 27.8198 -39.6288 -33.7097 TIMING: 4127800 CPU: 12268.5, 0.00293577/step Wall: 12268.5, 0.00293577/step, 0.711273 hours remaining, 207.312500 MB of memory in use. ENERGY: 4127800 758.3708 2087.6439 1932.1717 121.9471 -205862.3697 17696.5566 0.0000 0.0000 34285.2245 -148980.4551 299.4214 -183265.6796 -148884.3432 300.7339 -89.7487 -55.4435 559581.5311 5.2235 5.1944 PRESSURE: 4128000 -292.364 -64.4452 -157.75 -64.4436 -48.2212 -121.564 -157.749 -121.564 99.9869 GPRESSURE: 4128000 -244.332 -32.5512 -131.106 -95.7941 -53.8524 -129.088 -136.955 -109.718 150.031 PRESSAVG: 4128000 -78.3718 20.955 -2.7055 20.955 83.8322 15.2168 -2.70554 15.2168 -6.21368 GPRESSAVG: 4128000 -78.829 20.6177 -2.18662 21.1335 81.8854 15.5818 -3.52848 15.1699 -4.29083 TIMING: 4128000 CPU: 12269.1, 0.00294725/step Wall: 12269.1, 0.00294725/step, 0.713889 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4128000 755.2454 2131.6195 1940.6721 118.5917 -205714.6020 17461.6687 0.0000 0.0000 34324.6540 -148982.1505 299.7657 -183306.8045 -148879.7667 300.0463 -80.1994 -49.3842 559331.9539 -0.2511 -0.4115 PRESSURE: 4128200 125.297 97.6765 50.8703 97.6787 -173.032 47.8512 50.8723 47.8536 14.2948 GPRESSURE: 4128200 191.498 24.2785 -6.69215 87.8846 -187.487 87.486 86.7385 26.8456 58.9455 PRESSAVG: 4128200 -14.0489 28.9341 -13.2126 28.9341 103.316 10.9273 -13.2125 10.9273 -60.9085 GPRESSAVG: 4128200 -12.7377 26.8322 -15.507 29.7758 103.488 9.40626 -11.1722 12.6979 -62.0878 TIMING: 4128200 CPU: 12269.7, 0.00293144/step Wall: 12269.7, 0.00293144/step, 0.709898 hours remaining, 207.312500 MB of memory in use. ENERGY: 4128200 755.3922 2150.5451 1950.2572 103.4243 -206510.5930 17936.3638 0.0000 0.0000 34582.4446 -149032.1659 302.0171 -183614.6104 -148941.4670 299.8449 -11.1465 20.9855 557790.8921 9.4528 9.5541 LDB: ============= START OF LOAD BALANCING ============== 12273.2 LDB: ============== END OF LOAD BALANCING =============== 12273.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12273.2 LDB: ============= START OF LOAD BALANCING ============== 12273.5 LDB: Largest compute 4809 load 0.023225 is 19.6% of average load 0.118227 LDB: Average compute 0.001736 is 1.5% of average load 0.118227 LDB: TIME 12273.5 LOAD: AVG 0.118227 MAX 0.195571 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 12273.5 LOAD: AVG 0.118227 MAX 0.195571 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.508 MB LDB: TIME 12273.5 LOAD: AVG 0.118227 MAX 0.195571 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.508 MB LDB: ============== END OF LOAD BALANCING =============== 12273.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12273.5 PRESSURE: 4128400 235.461 65.1137 161.898 65.1127 -93.9227 50.909 161.899 50.9081 -294.826 GPRESSURE: 4128400 227.253 161.666 166.687 25.7824 -59.3859 -46.7226 125.307 117.38 -228.184 PRESSAVG: 4128400 58.7473 -27.7717 -17.0984 -27.7717 -32.9798 36.074 -17.0984 36.0739 -65.7516 GPRESSAVG: 4128400 58.8739 -26.7791 -15.9609 -28.0051 -32.5875 35.2774 -16.9862 37.9613 -65.6746 TIMING: 4128400 CPU: 12270.3, 0.00299834/step Wall: 12270.3, 0.00299834/step, 0.725932 hours remaining, 207.046875 MB of memory in use. ENERGY: 4128400 740.6472 2110.4471 1944.6788 115.1789 -206123.0304 17757.6573 0.0000 0.0000 34272.0818 -149182.3392 299.3066 -183454.4211 -149089.8296 299.8754 -51.0959 -20.1056 559056.3485 -13.3280 -13.1294 PRESSURE: 4128600 -25.7802 147.482 -73.9563 147.482 -172.685 175.953 -73.9563 175.953 -17.6561 GPRESSURE: 4128600 59.1483 185.119 -73.2689 121.774 -137.644 144.335 -74.0177 137.514 -41.3874 PRESSAVG: 4128600 -47.7264 -46.1499 -8.36404 -46.15 47.9604 15.9639 -8.36404 15.9639 8.95008 GPRESSAVG: 4128600 -48.2975 -45.0133 -7.41351 -46.1932 47.5703 18.225 -9.99741 12.632 9.72597 TIMING: 4128600 CPU: 12270.8, 0.00292622/step Wall: 12270.8, 0.00292622/step, 0.708307 hours remaining, 207.250000 MB of memory in use. ENERGY: 4128600 745.5099 2072.6156 1952.4953 109.3153 -206197.4073 17892.7754 0.0000 0.0000 34237.1420 -149187.5538 299.0015 -183424.6958 -149084.4511 299.3381 -72.0403 -39.9610 559437.4508 3.0614 2.9996 PRESSURE: 4128800 28.7564 -113.607 129.29 -113.605 -31.1652 57.3682 129.293 57.3694 -136.404 GPRESSURE: 4128800 69.2565 -87.5314 124.955 -56.3961 -38.7722 20.0684 245.191 79.0343 -74.7272 PRESSAVG: 4128800 24.3269 2.72101 3.995 2.72108 -4.76769 57.7303 3.99514 57.7301 -34.3004 GPRESSAVG: 4128800 24.9077 2.39422 3.05935 2.60787 -4.73508 56.9138 4.9184 57.5109 -34.5515 TIMING: 4128800 CPU: 12271.4, 0.00293918/step Wall: 12271.4, 0.00293918/step, 0.711282 hours remaining, 207.250000 MB of memory in use. ENERGY: 4128800 745.1532 2083.9529 1956.2750 105.0743 -206283.1149 17909.3726 0.0000 0.0000 34300.2129 -149183.0740 299.5523 -183483.2869 -149090.9345 298.9179 -46.2710 -14.7476 559039.1187 -4.9137 -4.7930 PRESSURE: 4129000 148.293 114.809 -208.407 114.811 -150.97 -251.135 -208.406 -251.133 -348.596 GPRESSURE: 4129000 161.009 40.8363 -124.923 227.868 -93.8419 -180.897 -257.162 -306.352 -310.367 PRESSAVG: 4129000 54.5715 -49.1897 -1.09786 -49.1898 21.0342 -14.8086 -1.09782 -14.8084 -65.1044 GPRESSAVG: 4129000 53.0313 -48.361 -0.900923 -50.4242 22.3397 -15.2167 -1.81856 -12.4961 -65.0044 TIMING: 4129000 CPU: 12272, 0.00292282/step Wall: 12272, 0.00292282/step, 0.70716 hours remaining, 207.250000 MB of memory in use. ENERGY: 4129000 770.3697 2036.0698 1921.9744 128.6145 -206235.8740 17899.6125 0.0000 0.0000 34361.0793 -149118.1539 300.0839 -183479.2332 -149023.9667 299.1962 -117.0909 -81.0665 558516.2713 3.5004 3.4555 PRESSURE: 4129200 92.5677 -16.9953 -68.3092 -16.9958 -66.9608 -47.8125 -68.3089 -47.8131 -23.1113 GPRESSURE: 4129200 160.284 -107.372 -52.6381 88.4103 -45.3656 -71.2366 -29.1879 8.41086 -22.4384 PRESSAVG: 4129200 -69.6361 -4.32532 -69.8139 -4.32535 56.6121 -6.27347 -69.8139 -6.27344 -6.74275 GPRESSAVG: 4129200 -69.5949 -7.13753 -71.1863 -0.642363 56.1721 -4.92044 -68.2723 -6.88047 -6.45282 TIMING: 4129200 CPU: 12272.6, 0.0029164/step Wall: 12272.6, 0.0029164/step, 0.705445 hours remaining, 207.250000 MB of memory in use. ENERGY: 4129200 736.1446 2100.8589 1952.7023 123.1974 -206149.3358 17843.6606 0.0000 0.0000 34179.6083 -149213.1638 298.4990 -183392.7722 -149113.0804 299.1581 0.8319 30.8265 558248.1449 -6.5889 -6.6252 PRESSURE: 4129400 -151.156 16.5843 -31.6212 16.5854 -66.5161 -5.01025 -31.6201 -5.01067 -156.242 GPRESSURE: 4129400 -102.156 -55.6328 -16.3033 43.8974 -68.1796 35.3536 62.7143 -26.817 -111.715 PRESSAVG: 4129400 -46.9003 15.2354 -31.1181 15.2355 10.1002 0.122983 -31.1181 0.122938 31.7619 GPRESSAVG: 4129400 -47.0049 15.6068 -30.0338 13.4887 10.433 2.54613 -29.219 -2.01469 31.5091 TIMING: 4129400 CPU: 12273.2, 0.0029109/step Wall: 12273.2, 0.0029109/step, 0.703952 hours remaining, 207.250000 MB of memory in use. ENERGY: 4129400 726.7946 2102.2072 1943.8907 122.7589 -205888.4512 17620.1628 0.0000 0.0000 34067.8337 -149304.8033 297.5229 -183372.6370 -149199.3866 299.5748 -124.6379 -94.0170 557119.4020 -1.6794 -1.6876 PRESSURE: 4129600 11.7328 -37.4528 -28.1008 -37.4544 53.3847 -191.099 -28.1019 -191.099 32.3261 GPRESSURE: 4129600 15.8941 -17.9971 -32.1406 5.21702 74.664 -255.732 -14.8893 -161.279 104.649 PRESSAVG: 4129600 36.9641 39.0084 -34.4507 39.0084 -11.9773 -17.2452 -34.4508 -17.2453 -66.3876 GPRESSAVG: 4129600 37.6255 39.8859 -35.2296 39.0976 -13.0326 -20.1036 -35.9303 -14.7086 -66.0789 TIMING: 4129600 CPU: 12273.8, 0.00291948/step Wall: 12273.8, 0.00291948/step, 0.705865 hours remaining, 207.250000 MB of memory in use. ENERGY: 4129600 741.1777 2078.4123 1931.5523 117.8938 -206152.8407 17815.6012 0.0000 0.0000 34354.4650 -149113.7384 300.0261 -183468.2034 -149015.5122 299.1079 32.4812 65.0690 557071.4844 -13.8003 -13.8287 PRESSURE: 4129800 245.22 151.182 -81.6371 151.182 121.799 -3.53655 -81.6379 -3.53767 160.426 GPRESSURE: 4129800 249.458 122.222 -141.202 46.2951 203.27 28.1627 -22.6738 -73.097 163.148 PRESSAVG: 4129800 45.5283 20.6405 -16.5077 20.6405 -36.999 -6.74965 -16.5077 -6.74961 25.7213 GPRESSAVG: 4129800 45.0533 21.8421 -16.4564 19.7169 -35.9757 -5.64853 -16.8009 -7.05922 24.7338 TIMING: 4129800 CPU: 12274.3, 0.00293698/step Wall: 12274.3, 0.00293698/step, 0.709932 hours remaining, 207.250000 MB of memory in use. ENERGY: 4129800 766.4948 2049.6175 1974.0591 114.5188 -206852.9055 18202.3797 0.0000 0.0000 34369.6874 -149376.1481 300.1590 -183745.8354 -149286.2794 298.7827 175.8149 205.2921 556924.7065 11.4169 11.2705 PRESSURE: 4130000 -62.8701 78.7514 171.906 78.7501 -288.597 -82.2647 171.906 -82.2643 -214.393 GPRESSURE: 4130000 -18.7307 169.376 209.75 -18.5159 -229.267 -82.0029 112.418 -67.5124 -223.997 PRESSAVG: 4130000 31.7594 -25.8238 7.94332 -25.8238 -8.03755 14.8507 7.94329 14.8505 -25.2909 GPRESSAVG: 4130000 31.0471 -25.8035 8.89327 -25.7209 -8.74941 14.3127 8.9867 14.4051 -23.6044 TIMING: 4130000 CPU: 12274.9, 0.00292311/step Wall: 12274.9, 0.00292311/step, 0.706418 hours remaining, 207.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4130000 799.7848 2021.7005 1939.8131 131.9420 -206241.5000 17753.9416 0.0000 0.0000 34239.7185 -149354.5994 299.0240 -183594.3179 -149252.2870 298.8495 -188.6200 -157.3317 558972.4929 -0.5230 -0.4356 PRESSURE: 4130200 162.752 -164.677 -31.7115 -164.678 62.3994 52.782 -31.7115 52.7825 -144.457 GPRESSURE: 4130200 210.95 -153.602 13.1618 -175.28 94.0729 13.0224 -76.9846 34.8508 -141.463 PRESSAVG: 4130200 66.7942 -13.2477 -13.0991 -13.2477 1.19824 13.4165 -13.0991 13.4165 -48.081 GPRESSAVG: 4130200 67.5937 -13.679 -12.5375 -13.2277 0.348111 14.4933 -14.732 12.8245 -48.4349 TIMING: 4130200 CPU: 12275.5, 0.00291989/step Wall: 12275.5, 0.00291989/step, 0.705478 hours remaining, 207.250000 MB of memory in use. ENERGY: 4130200 707.2828 2057.9148 1940.2772 121.4130 -206323.7357 17954.5446 0.0000 0.0000 34207.1934 -149335.1099 298.7399 -183542.3033 -149241.7934 298.6668 26.8981 54.5198 557846.3792 6.6371 6.5023 PRESSURE: 4130400 -261.253 22.4948 -139.9 22.4944 -63.7812 70.2326 -139.9 70.2328 -121.83 GPRESSURE: 4130400 -249.035 -19.6324 -250.598 9.1043 -4.71691 22.0717 -135.56 154.166 -107.661 PRESSAVG: 4130400 -19.7603 -58.9366 -45.5608 -58.9367 13.4771 48.5649 -45.5608 48.5649 -8.11202 GPRESSAVG: 4130400 -20.6944 -59.5796 -47.3071 -60.032 14.8073 46.6412 -44.8687 50.4188 -8.79833 TIMING: 4130400 CPU: 12276.1, 0.00294093/step Wall: 12276.1, 0.00294093/step, 0.710399 hours remaining, 207.250000 MB of memory in use. ENERGY: 4130400 751.2514 2064.1559 1937.0773 114.0111 -206083.0398 17666.4049 0.0000 0.0000 34260.7259 -149289.4133 299.2074 -183550.1392 -149192.7977 298.7626 -148.9546 -120.4707 560123.5949 -4.7984 -4.8951 PRESSURE: 4130600 -58.2722 20.4582 -14.2536 20.4586 -25.5028 -16.8633 -14.2536 -16.8631 56.8687 GPRESSURE: 4130600 -23.5576 -1.51843 -89.7856 21.8148 54.6669 32.7524 72.8327 31.8019 41.8882 PRESSAVG: 4130600 -64.6657 20.8881 6.83655 20.8881 39.5437 8.48678 6.8365 8.48673 6.64773 GPRESSAVG: 4130600 -65.1085 20.8727 7.53854 21.1461 39.5249 10.2444 7.48043 7.21836 6.4332 TIMING: 4130600 CPU: 12276.7, 0.00292633/step Wall: 12276.7, 0.00292633/step, 0.706708 hours remaining, 207.250000 MB of memory in use. ENERGY: 4130600 736.8250 2131.5662 1952.7939 123.5972 -206092.5628 17788.4252 0.0000 0.0000 34112.9939 -149246.3613 297.9173 -183359.3553 -149153.1680 298.4417 -8.9688 24.3325 558845.1385 -6.1581 -6.3835 PRESSURE: 4130800 2.56475 -73.5308 -151.245 -73.5312 -82.5107 37.9805 -151.245 37.9819 -204.333 GPRESSURE: 4130800 54.1111 -84.454 -130.258 -20.0904 -86.4666 73.0677 -178.876 39.103 -158.827 PRESSAVG: 4130800 -65.2966 44.1321 -11.844 44.132 -7.24325 -15.1161 -11.8439 -15.1161 61.8884 GPRESSAVG: 4130800 -65.1812 44.2994 -10.9277 42.8363 -8.49891 -16.2001 -13.2526 -13.837 62.7242 TIMING: 4130800 CPU: 12277.3, 0.00293829/step Wall: 12277.3, 0.00293829/step, 0.709434 hours remaining, 207.250000 MB of memory in use. ENERGY: 4130800 768.3423 2060.2303 1927.9000 114.7399 -206239.3334 17889.2879 0.0000 0.0000 34083.3018 -149395.5311 297.6580 -183478.8330 -149293.4119 297.9676 -94.7595 -63.7275 558389.9678 -3.5505 -3.6520 PRESSURE: 4131000 -279.753 61.7141 223.783 61.7138 -195.169 -154.182 223.783 -154.181 -210.13 GPRESSURE: 4131000 -139.388 -7.70828 202.888 47.9411 -203.278 -100.478 199.794 -174.563 -243.906 PRESSAVG: 4131000 32.4867 -4.39894 45.9764 -4.39896 -16.4365 -25.9831 45.9764 -25.9831 2.57302 GPRESSAVG: 4131000 32.7716 -5.21976 44.6957 -1.82264 -17.1635 -25.2848 45.6135 -28.607 3.45383 TIMING: 4131000 CPU: 12277.9, 0.00293616/step Wall: 12277.9, 0.00293616/step, 0.708757 hours remaining, 207.250000 MB of memory in use. ENERGY: 4131000 739.2594 2143.7581 1931.3486 113.7620 -206079.9857 17734.3411 0.0000 0.0000 34000.0605 -149417.4560 296.9310 -183417.5165 -149325.2293 298.5552 -228.3506 -195.5239 560493.0145 6.2078 6.3540 PRESSURE: 4131200 -122.998 -29.7261 56.7343 -29.7252 -92.2055 132.459 56.7334 132.46 -113.263 GPRESSURE: 4131200 -137.809 -39.5058 -29.4915 -32.3386 -88.479 149.838 154.461 88.1386 0.732378 PRESSAVG: 4131200 18.4057 -31.2692 1.30289 -31.2693 -21.8827 16.6201 1.30292 16.6202 -57.3143 GPRESSAVG: 4131200 19.1074 -31.1744 0.409568 -32.1244 -21.3699 14.5913 1.79816 19.4755 -57.8548 TIMING: 4131200 CPU: 12278.5, 0.00296502/step Wall: 12278.5, 0.00296502/step, 0.715558 hours remaining, 207.250000 MB of memory in use. ENERGY: 4131200 758.5742 2095.4940 1945.3389 112.0087 -206156.0163 17637.6775 0.0000 0.0000 34204.5920 -149402.3310 298.7172 -183606.9230 -149301.4514 298.2348 -109.4888 -75.1851 558123.1197 -20.2638 -20.0391 PRESSURE: 4131400 -467.193 74.1696 145.589 74.1686 -177.662 45.3953 145.59 45.3943 -166.375 GPRESSURE: 4131400 -404.527 89.9337 171.219 154.891 -146.867 154.773 95.7105 15.0859 -163.524 PRESSAVG: 4131400 38.4434 -43.5114 -46.1628 -43.5114 -18.8117 -6.14417 -46.1628 -6.14418 -10.555 GPRESSAVG: 4131400 37.8011 -44.8467 -43.7264 -42.9413 -18.8399 -2.94449 -47.1369 -9.59935 -10.56 TIMING: 4131400 CPU: 12279, 0.00294434/step Wall: 12279, 0.00294434/step, 0.710403 hours remaining, 207.250000 MB of memory in use. ENERGY: 4131400 708.7437 2084.4268 1952.1035 120.1714 -206154.5601 17655.6193 0.0000 0.0000 34203.8607 -149429.6348 298.7108 -183633.4955 -149327.6085 298.2883 -270.4099 -238.3059 560919.5802 3.0256 2.8004 PRESSURE: 4131600 114.62 59.2975 156.702 59.2957 167.809 5.50356 156.7 5.50279 189.173 GPRESSURE: 4131600 194.493 136.308 178.917 -49.9945 151.224 -8.38829 181.043 55.0787 222.186 PRESSAVG: 4131600 -43.0841 14.6681 22.3142 14.6681 28.7514 -3.28713 22.3143 -3.28713 10.6392 GPRESSAVG: 4131600 -43.2479 17.6095 19.5458 13.39 28.758 -6.79595 24.6667 1.62574 10.1301 TIMING: 4131600 CPU: 12279.6, 0.00294422/step Wall: 12279.6, 0.00294422/step, 0.710212 hours remaining, 207.250000 MB of memory in use. ENERGY: 4131600 771.5846 2074.4809 1941.1859 104.2760 -206905.8433 18280.9391 0.0000 0.0000 34340.7414 -149392.6353 299.9062 -183733.3768 -149302.6197 298.3847 157.2009 189.3008 557836.0139 -1.2312 -1.4533 PRESSURE: 4131800 49.9302 27.9879 -100.843 27.9893 59.9374 -65.4515 -100.844 -65.4515 53.6924 GPRESSURE: 4131800 -13.7719 24.0188 -51.6108 -2.81528 166.643 -128.623 -126.253 -61.96 99.9626 PRESSAVG: 4131800 -36.0965 18.7603 -20.7304 18.7603 51.1528 43.6434 -20.7303 43.6435 -5.16034 GPRESSAVG: 4131800 -36.001 16.5628 -19.3679 19.8003 50.5089 44.0462 -22.6147 41.4063 -3.76834 TIMING: 4131800 CPU: 12280.2, 0.00294465/step Wall: 12280.2, 0.00294465/step, 0.710151 hours remaining, 207.250000 MB of memory in use. ENERGY: 4131800 714.4833 2007.9113 1944.1431 116.1312 -206357.1928 17926.5012 0.0000 0.0000 34252.5667 -149395.4561 299.1362 -183648.0228 -149299.2737 298.5590 54.5200 84.2779 558143.6759 3.2987 3.5798 PRESSURE: 4132000 8.91218 22.7592 -1.64783 22.7591 -176.391 73.765 -1.64851 73.7639 131.109 GPRESSURE: 4132000 68.3959 65.4384 -14.5133 -37.927 -136.796 0.120007 -29.2898 77.0266 117.233 PRESSAVG: 4132000 -29.8734 23.3663 -28.427 23.3664 5.81696 25.7844 -28.427 25.7844 21.2143 GPRESSAVG: 4132000 -29.1489 25.5498 -28.5579 23.8671 5.59352 26.991 -27.9832 26.016 20.664 TIMING: 4132000 CPU: 12280.8, 0.00292923/step Wall: 12280.8, 0.00292923/step, 0.70627 hours remaining, 207.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4132000 786.9098 2061.2834 1929.8787 122.0181 -206356.0256 17963.2167 0.0000 0.0000 33946.6836 -149546.0353 296.4648 -183492.7189 -149449.0853 298.5141 -12.1233 16.2777 557298.9350 -0.9474 -0.9638 PRESSURE: 4132200 189.835 -27.9395 -5.73087 -27.9386 -44.6271 48.3297 -5.73185 48.3295 -80.1419 GPRESSURE: 4132200 164.553 -101.736 -16.1172 21.4995 8.00419 143.488 66.4368 -20.4093 -13.0492 PRESSAVG: 4132200 28.6367 -31.6073 -4.14948 -31.6073 -4.02935 23.7395 -4.14944 23.7394 -3.70786 GPRESSAVG: 4132200 27.163 -32.1374 -3.6677 -33.1203 -4.2435 23.4025 -5.67475 22.6106 -2.89613 TIMING: 4132200 CPU: 12281.4, 0.00292844/step Wall: 12281.4, 0.00292844/step, 0.705918 hours remaining, 207.250000 MB of memory in use. ENERGY: 4132200 752.5290 2105.7131 1930.1320 118.6125 -206175.9354 17890.6520 0.0000 0.0000 34253.7817 -149124.5151 299.1468 -183378.2968 -149028.2715 298.6489 21.6887 53.1694 557870.2216 6.9665 6.6744 LDB: ============= START OF LOAD BALANCING ============== 12284.9 LDB: ============== END OF LOAD BALANCING =============== 12284.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12284.9 LDB: ============= START OF LOAD BALANCING ============== 12285.2 LDB: Largest compute 4809 load 0.023205 is 19.6% of average load 0.118288 LDB: Average compute 0.001739 is 1.5% of average load 0.118288 LDB: TIME 12285.2 LOAD: AVG 0.118288 MAX 0.194807 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.051 MB LDB: TIME 12285.2 LOAD: AVG 0.118288 MAX 0.194807 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.113 MB LDB: TIME 12285.2 LOAD: AVG 0.118288 MAX 0.194807 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.113 MB LDB: ============== END OF LOAD BALANCING =============== 12285.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12285.2 PRESSURE: 4132400 -274.202 -249.295 152.707 -249.295 -220.003 -162.88 152.708 -162.881 53.105 GPRESSURE: 4132400 -254.329 -284.881 84.1211 -294.072 -153.301 -124.954 68.8377 -128.634 64.1022 PRESSAVG: 4132400 -3.86909 -59.9945 21.8383 -59.9946 15.023 24.6314 21.8382 24.6315 -31.3789 GPRESSAVG: 4132400 -2.68476 -59.2771 21.543 -61.1362 15.2495 26.2313 22.7992 24.6528 -32.3671 TIMING: 4132400 CPU: 12282, 0.00299705/step Wall: 12282, 0.00299705/step, 0.722289 hours remaining, 207.312500 MB of memory in use. ENERGY: 4132400 819.9487 2063.6424 1927.5715 107.9376 -206074.9787 17711.5695 0.0000 0.0000 34324.2751 -149120.0338 299.7624 -183444.3089 -149022.6867 299.1715 -147.0335 -114.5091 557133.1309 -6.7417 -6.6008 PRESSURE: 4132600 -145.22 -6.24365 97.6555 -6.24306 -99.1901 -55.4488 97.6557 -55.4505 -107.81 GPRESSURE: 4132600 -95.5549 13.5337 35.3055 -73.8277 -116.925 -34.4162 134.207 -24.3387 -29.4025 PRESSAVG: 4132600 -29.6246 7.7277 -3.63786 7.72771 41.746 8.6658 -3.63783 8.66572 21.148 GPRESSAVG: 4132600 -28.8597 6.42795 -3.49314 9.21897 41.2682 7.74156 -4.68962 9.04106 21.2432 TIMING: 4132600 CPU: 12282.6, 0.00290758/step Wall: 12282.6, 0.00290758/step, 0.700565 hours remaining, 207.312500 MB of memory in use. ENERGY: 4132600 801.8536 2098.8372 1927.8672 131.4274 -205773.2101 17622.2214 0.0000 0.0000 34171.9978 -149019.0055 298.4326 -183191.0034 -148924.2939 300.1808 -117.4068 -80.6274 557833.4541 11.0898 11.2172 PRESSURE: 4132800 -216.843 25.4784 80.6297 25.4786 -311.724 -57.3988 80.6295 -57.3988 0.51682 GPRESSURE: 4132800 -186.867 76.0669 31.7419 -78.3055 -217.884 -72.9722 128.827 -112.765 -23.0122 PRESSAVG: 4132800 2.65952 83.3936 7.94265 83.3936 -45.5334 -18.6514 7.9427 -18.6516 32.5537 GPRESSAVG: 4132800 2.23859 83.3653 8.41748 82.6623 -43.9846 -18.5183 7.42386 -21.0445 31.6084 TIMING: 4132800 CPU: 12283.2, 0.0029148/step Wall: 12283.2, 0.0029148/step, 0.702143 hours remaining, 207.312500 MB of memory in use. ENERGY: 4132800 778.5537 2089.6737 1976.4384 109.9284 -206149.0729 17745.8479 0.0000 0.0000 34282.7473 -149165.8835 299.3998 -183448.6308 -149069.5599 299.3966 -176.0169 -142.5877 559381.4339 -3.4400 -3.3792 PRESSURE: 4133000 -110.524 107.585 -129.44 107.586 132.955 29.7471 -129.44 29.7456 270.72 GPRESSURE: 4133000 -95.6788 107.098 -129.777 96.5278 166.857 43.728 -131.538 81.3497 320.859 PRESSAVG: 4133000 -89.7501 51.7749 -34.119 51.7748 0.333456 -25.2688 -34.119 -25.2689 73.3001 GPRESSAVG: 4133000 -89.1271 52.4014 -35.8138 51.2089 -0.818113 -26.5392 -32.1475 -21.4752 73.6097 TIMING: 4133000 CPU: 12283.7, 0.00293967/step Wall: 12283.7, 0.00293967/step, 0.70797 hours remaining, 207.312500 MB of memory in use. ENERGY: 4133000 802.0441 2092.5607 1957.6664 123.6135 -206701.9445 18138.7872 0.0000 0.0000 34361.5691 -149225.7035 300.0881 -183587.2726 -149126.2103 299.8871 97.7173 130.6791 558593.8098 -5.3722 -5.4452 PRESSURE: 4133200 160.669 -58.2662 -148.353 -58.2684 -51.5862 57.4864 -148.352 57.4842 -59.5971 GPRESSURE: 4133200 221.601 15.578 -229.466 -4.62741 -11.5385 73.0539 -130.13 23.276 -58.341 PRESSAVG: 4133200 -11.0268 41.8783 -54.7271 41.8783 -15.6281 11.761 -54.727 11.761 44.5969 GPRESSAVG: 4133200 -11.7517 39.9768 -55.4955 44.9164 -13.9914 12.0359 -54.4579 9.50208 43.7231 TIMING: 4133200 CPU: 12284.3, 0.00292663/step Wall: 12284.3, 0.00292663/step, 0.704667 hours remaining, 207.312500 MB of memory in use. ENERGY: 4133200 741.3606 2042.0615 1954.3265 116.3348 -206630.3741 17982.3969 0.0000 0.0000 34532.7394 -149261.1543 301.5830 -183793.8938 -149159.9170 299.0737 16.4952 50.5739 557352.1911 5.9806 5.9933 PRESSURE: 4133400 108.975 -61.7448 -46.2069 -61.744 81.8533 -132.511 -46.2073 -132.511 -58.639 GPRESSURE: 4133400 110.364 -20.6747 -82.8421 -79.3518 177.175 -164.654 72.1386 -115.998 -62.7692 PRESSAVG: 4133400 -22.2048 -3.59775 -18.4949 -3.59766 25.2423 6.87349 -18.495 6.87346 -10.7422 GPRESSAVG: 4133400 -21.1222 -3.46428 -15.0659 -4.51317 23.5225 7.30726 -21.5063 9.10484 -10.0819 TIMING: 4133400 CPU: 12284.9, 0.00293188/step Wall: 12284.9, 0.00293188/step, 0.705768 hours remaining, 207.312500 MB of memory in use. ENERGY: 4133400 741.5678 2070.6682 1977.1244 110.1080 -206457.8251 18044.3628 0.0000 0.0000 34249.2415 -149264.7524 299.1071 -183513.9939 -149175.4571 299.1728 44.0631 74.9233 558384.0133 -2.5683 -2.5605 PRESSURE: 4133600 46.8051 144.002 -199.662 144.002 187.36 33.9286 -199.662 33.9292 331.971 GPRESSURE: 4133600 162.38 214.849 -136.611 132.99 194.779 -16.8675 -240.713 33.6133 300.526 PRESSAVG: 4133600 11.8688 9.44994 -6.34944 9.44995 25.3537 41.6934 -6.34938 41.6934 0.262498 GPRESSAVG: 4133600 10.0899 11.3749 -9.16287 8.15545 27.8159 42.2717 -4.12799 39.1379 -0.446456 TIMING: 4133600 CPU: 12285.5, 0.00294023/step Wall: 12285.5, 0.00294023/step, 0.707616 hours remaining, 207.312500 MB of memory in use. ENERGY: 4133600 748.9450 2098.1584 1964.5570 109.4125 -206441.7457 18067.7763 0.0000 0.0000 34116.2659 -149336.6305 297.9458 -183452.8964 -149234.8715 299.1738 188.7119 219.2282 557182.1908 12.4950 12.4865 PRESSURE: 4133800 -0.375421 -117.503 -83.574 -117.504 -297.548 -75.2805 -83.5735 -75.2806 145.521 GPRESSURE: 4133800 66.6139 -138.204 -116.244 -138.243 -298.223 -184.868 -78.018 -52.1655 169.8 PRESSAVG: 4133800 64.7811 -10.5486 -27.2889 -10.5486 -35.7759 49.0566 -27.2889 49.0567 -39.2256 GPRESSAVG: 4133800 66.4376 -12.6223 -26.3898 -10.7077 -38.0922 50.0739 -26.8036 49.207 -39.2094 TIMING: 4133800 CPU: 12286.1, 0.00292013/step Wall: 12286.1, 0.00292013/step, 0.702615 hours remaining, 207.312500 MB of memory in use. ENERGY: 4133800 794.9755 2132.4113 1961.2917 114.7252 -206090.3479 17702.3128 0.0000 0.0000 34254.3435 -149130.2879 299.1517 -183384.6314 -149026.3994 299.3550 -50.8009 -20.6029 557131.1453 -3.4068 -3.6213 PRESSURE: 4134000 -125.647 129.449 -163.538 129.45 2.21116 -126.621 -163.537 -126.622 -415.073 GPRESSURE: 4134000 -66.3154 152.125 -238.99 169.536 42.37 -127.331 -171.399 -64.66 -424.331 PRESSAVG: 4134000 55.0236 40.3251 1.38946 40.3251 -14.0716 -39.7037 1.38941 -39.7038 -54.333 GPRESSAVG: 4134000 55.1155 41.3347 1.54665 40.5068 -13.7525 -41.4943 1.28566 -36.4934 -54.5934 TIMING: 4134000 CPU: 12286.7, 0.00295641/step Wall: 12286.7, 0.00295641/step, 0.71118 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4134000 737.9146 2084.8040 1930.0434 127.6358 -205918.9259 17514.4972 0.0000 0.0000 34201.1537 -149322.8772 298.6872 -183524.0309 -149225.0028 299.5084 -179.5031 -149.4254 558128.5208 -4.4604 -4.4101 PRESSURE: 4134200 -46.7538 25.7676 -184.34 25.7665 -322.959 -98.8816 -184.34 -98.882 170.493 GPRESSURE: 4134200 -55.927 34.9202 -192.997 104.167 -239.4 -96.4168 -184.893 -70.2541 183.721 PRESSAVG: 4134200 -3.26941 -26.8042 37.2794 -26.8041 6.11031 -61.1072 37.2794 -61.1073 36.9808 GPRESSAVG: 4134200 -3.83626 -27.3937 39.2401 -26.4366 5.97151 -60.5137 35.5364 -63.0216 37.8999 TIMING: 4134200 CPU: 12287.3, 0.00296727/step Wall: 12287.3, 0.00296727/step, 0.713627 hours remaining, 207.312500 MB of memory in use. ENERGY: 4134200 742.4474 2084.0406 1941.1069 113.3900 -206031.3326 17636.6019 0.0000 0.0000 34159.3463 -149354.3996 298.3221 -183513.7459 -149260.9546 298.9654 -66.4064 -37.2021 557542.3509 13.2739 13.3450 PRESSURE: 4134400 194.871 84.6368 -160.642 84.637 188.901 52.1806 -160.642 52.1808 303.829 GPRESSURE: 4134400 164.233 103.186 -102.672 34.1286 275.717 100.538 -293.941 95.1403 358.208 PRESSAVG: 4134400 -41.7332 32.7846 12.0797 32.7845 -38.8689 -13.7395 12.0798 -13.7395 54.1704 GPRESSAVG: 4134400 -40.9446 32.8973 9.86575 32.6135 -38.7356 -15.2572 12.1217 -12.5194 53.2282 TIMING: 4134400 CPU: 12287.9, 0.0029608/step Wall: 12287.9, 0.0029608/step, 0.711907 hours remaining, 207.312500 MB of memory in use. ENERGY: 4134400 760.5751 2044.1878 1928.9574 122.9834 -206582.8433 18145.6953 0.0000 0.0000 34283.7214 -149296.7228 299.4083 -183580.4442 -149199.4533 299.0425 229.2001 266.0527 556162.6748 -8.8106 -8.8173 PRESSURE: 4134600 -59.8057 -90.3705 -26.0633 -90.3704 166.228 -97.2919 -26.0641 -97.2921 65.39 GPRESSURE: 4134600 -15.9412 -111.573 -100.29 -154.147 182.779 -7.64015 19.822 -110.342 107.501 PRESSAVG: 4134600 2.34969 27.038 -51.2188 27.038 11.5356 13.889 -51.2187 13.8889 0.217286 GPRESSAVG: 4134600 2.5191 27.6432 -53.148 26.2333 10.8899 15.6012 -48.7704 13.5556 1.02946 TIMING: 4134600 CPU: 12288.5, 0.00292706/step Wall: 12288.5, 0.00292706/step, 0.703632 hours remaining, 207.312500 MB of memory in use. ENERGY: 4134600 752.7515 2046.1540 1937.4353 100.8449 -206246.6001 17855.6288 0.0000 0.0000 34476.3925 -149077.3930 301.0909 -183553.7855 -148983.9241 299.3944 57.2706 91.4462 556454.4636 4.7009 4.8128 PRESSURE: 4134800 34.0972 -153.295 -24.0164 -153.295 88.1108 10.3432 -24.0149 10.3433 95.0394 GPRESSURE: 4134800 51.6218 -161.981 0.25526 -137.852 130.273 2.40503 -74.1235 96.3548 133.791 PRESSAVG: 4134800 -40.1906 -47.0802 -50.793 -47.0802 24.6461 -29.9755 -50.793 -29.9755 11.1949 GPRESSAVG: 4134800 -40.7139 -48.4037 -47.7425 -45.1678 24.8578 -30.3779 -54.0167 -29.6038 11.8077 TIMING: 4134800 CPU: 12289, 0.00291275/step Wall: 12289, 0.00291275/step, 0.70003 hours remaining, 207.312500 MB of memory in use. ENERGY: 4134800 735.6137 2061.8188 1958.9637 119.8628 -206364.8642 18042.7195 0.0000 0.0000 34459.6744 -148986.2113 300.9449 -183445.8857 -148889.6506 299.9540 72.4158 105.2288 556690.1729 -1.4498 -1.3494 PRESSURE: 4135000 -221.17 -39.7832 128.438 -39.7813 -111.4 140.931 128.438 140.931 -36.8721 GPRESSURE: 4135000 -167.152 31.3115 181.547 -50.8052 -76.5842 47.8029 152.078 218.054 -29.232 PRESSAVG: 4135000 -43.2425 -11.9141 -35.6437 -11.9142 65.2625 30.7257 -35.6438 30.7258 -17.9893 GPRESSAVG: 4135000 -42.4404 -9.87166 -36.8719 -13.679 66.2327 30.835 -33.4586 32.2103 -19.032 TIMING: 4135000 CPU: 12289.6, 0.00294783/step Wall: 12289.6, 0.00294783/step, 0.708299 hours remaining, 207.312500 MB of memory in use. ENERGY: 4135000 751.5195 2047.4619 1928.3804 124.2601 -205910.9970 17624.6985 0.0000 0.0000 34252.7582 -149181.9184 299.1379 -183434.6766 -149082.0263 299.8745 -123.1474 -90.9896 557828.4752 1.3436 1.5868 PRESSURE: 4135200 -39.132 -24.0756 -49.5655 -24.0756 -127.416 28.5361 -49.5654 28.5361 -401.1 GPRESSURE: 4135200 -52.7749 23.3691 -29.2221 -54.8138 -64.9272 5.50799 -58.6843 60.7569 -357.023 PRESSAVG: 4135200 -22.651 -23.2041 -35.7942 -23.204 38.6991 -2.62109 -35.7942 -2.62126 13.1761 GPRESSAVG: 4135200 -22.7409 -24.8944 -36.4054 -22.4034 38.904 -1.23138 -36.8039 -5.78702 13.4467 TIMING: 4135200 CPU: 12290.2, 0.00296346/step Wall: 12290.2, 0.00296346/step, 0.71189 hours remaining, 207.312500 MB of memory in use. ENERGY: 4135200 784.5691 2078.0503 1966.5628 118.9714 -205770.7406 17444.3681 0.0000 0.0000 34242.1547 -149136.0642 299.0453 -183378.2188 -149041.2608 300.0321 -189.2158 -158.2416 557229.5762 9.7414 9.8699 PRESSURE: 4135400 -158.329 60.775 -189.66 60.7758 96.4141 -20.1275 -189.662 -20.1288 15.5721 GPRESSURE: 4135400 -108.796 120.709 -113.043 2.09206 152.271 18.764 -183.139 5.73128 16.6118 PRESSAVG: 4135400 3.24188 -10.8918 39.8345 -10.8918 -10.9427 2.55779 39.8345 2.55774 23.88 GPRESSAVG: 4135400 5.05534 -7.80902 41.5638 -11.794 -11.8013 0.591654 40.9362 4.25762 22.8168 TIMING: 4135400 CPU: 12290.8, 0.00295858/step Wall: 12290.8, 0.00295858/step, 0.710552 hours remaining, 207.312500 MB of memory in use. ENERGY: 4135400 755.5500 2072.8193 1969.7818 116.5278 -205942.0966 17804.8739 0.0000 0.0000 34160.9497 -149061.5942 298.3361 -183222.5439 -148963.5633 299.3216 -15.4476 20.0290 557779.8084 5.3931 5.3570 PRESSURE: 4135600 -80.6195 -221.016 -109.728 -221.015 -243.879 -176.907 -109.727 -176.908 59.7731 GPRESSURE: 4135600 3.63425 -112.854 -130.095 -298.816 -264.13 -210.855 -23.9409 -143.862 74.7797 PRESSAVG: 4135600 -3.31034 1.44411 -35.471 1.44409 34.9221 -33.0833 -35.4709 -33.0833 3.26437 GPRESSAVG: 4135600 -3.96422 -0.317976 -34.2864 0.608568 35.2676 -32.8775 -36.17 -34.1526 3.41552 TIMING: 4135600 CPU: 12291.4, 0.00293199/step Wall: 12291.4, 0.00293199/step, 0.704002 hours remaining, 207.312500 MB of memory in use. ENERGY: 4135600 744.4916 2104.1022 1954.9840 118.9614 -205982.9279 17784.9367 0.0000 0.0000 34384.7588 -148890.6933 300.2907 -183275.4521 -148793.9046 300.0616 -88.2417 -61.9053 559733.2519 11.6254 11.5730 PRESSURE: 4135800 62.9207 45.4482 -116.684 45.4494 -102.946 4.07797 -116.685 4.07863 247.52 GPRESSURE: 4135800 128.554 31.5353 -79.395 75.7457 -76.8266 -43.6215 -147.479 -76.1645 245.145 PRESSAVG: 4135800 38.2439 -31.2422 5.65787 -31.2423 -63.606 0.0924282 5.65791 0.0924495 -23.1724 GPRESSAVG: 4135800 38.7952 -31.668 2.86865 -29.2453 -64.2047 0.0118401 5.77055 1.11852 -23.3214 TIMING: 4135800 CPU: 12292, 0.00293422/step Wall: 12292, 0.00293422/step, 0.704376 hours remaining, 207.312500 MB of memory in use. ENERGY: 4135800 725.9144 2174.8478 1948.8523 104.3845 -206234.2164 18092.1726 0.0000 0.0000 34207.3077 -148980.7370 298.7409 -183188.0447 -148893.4253 299.4365 69.1648 98.9575 559517.1641 -16.1782 -16.2436 PRESSURE: 4136000 138.19 121.399 186.878 121.398 -118.553 -126.915 186.878 -126.915 147.714 GPRESSURE: 4136000 141.646 112.085 174.034 133.694 -62.0584 -88.6917 183.181 -145.913 179.662 PRESSAVG: 4136000 -21.4641 -12.673 -49.1373 -12.673 42.9569 -7.79194 -49.1374 -7.79201 32.9982 GPRESSAVG: 4136000 -22.3716 -12.8447 -48.4434 -12.5646 43.7281 -7.41666 -49.0032 -7.65707 33.2532 TIMING: 4136000 CPU: 12292.6, 0.00294346/step Wall: 12292.6, 0.00294346/step, 0.706431 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4136000 784.3483 2098.1072 1961.5393 122.5527 -206251.1910 17997.1133 0.0000 0.0000 34207.2717 -149080.2586 298.7406 -183287.5302 -148979.1964 299.9309 55.7838 86.4165 557847.0227 18.1637 18.2032 PRESSURE: 4136200 -95.0016 -35.6045 -70.2837 -35.6039 -120.88 -42.9997 -70.2835 -42.9988 -418.012 GPRESSURE: 4136200 -98.161 -64.7861 -76.7373 50.1206 -82.2083 20.0215 -116.101 -130.856 -361.342 PRESSAVG: 4136200 30.8606 -4.04259 -0.188358 -4.04258 68.8934 -7.61983 -0.1883 -7.61977 -51.272 GPRESSAVG: 4136200 30.523 -5.2408 0.869386 -3.73228 67.82 -8.24272 -0.595982 -6.89959 -50.0074 TIMING: 4136200 CPU: 12293.2, 0.002939/step Wall: 12293.2, 0.002939/step, 0.705197 hours remaining, 207.312500 MB of memory in use. ENERGY: 4136200 743.3732 2052.9066 1979.0346 124.8576 -206469.3342 17717.4324 0.0000 0.0000 34833.0747 -149018.6551 304.2059 -183851.7298 -148925.5167 299.7148 -211.2980 -180.5704 558874.2070 16.1607 16.1119 LDB: ============= START OF LOAD BALANCING ============== 12296.7 LDB: ============== END OF LOAD BALANCING =============== 12296.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12296.7 LDB: ============= START OF LOAD BALANCING ============== 12297 LDB: Largest compute 4772 load 0.022459 is 19.0% of average load 0.118133 LDB: Average compute 0.001742 is 1.5% of average load 0.118133 LDB: TIME 12297 LOAD: AVG 0.118133 MAX 0.195691 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.344 MB LDB: TIME 12297 LOAD: AVG 0.118133 MAX 0.195691 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: TIME 12297 LOAD: AVG 0.118133 MAX 0.195691 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: ============== END OF LOAD BALANCING =============== 12297 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12297 PRESSURE: 4136400 118.073 -90.6661 14.6594 -90.6657 30.8277 14.7856 14.6608 14.7873 -0.314093 GPRESSURE: 4136400 125.104 -182.321 104.685 -99.6492 72.8716 6.00856 -32.5628 -6.67335 62.1673 PRESSAVG: 4136400 13.0275 0.064607 34.597 0.064539 1.41492 -6.12371 34.597 -6.12363 -14.7942 GPRESSAVG: 4136400 13.3171 -0.309098 32.1719 1.03511 3.15452 -6.18117 34.9049 -7.73129 -16.0832 TIMING: 4136400 CPU: 12293.8, 0.00300214/step Wall: 12293.8, 0.00300214/step, 0.72018 hours remaining, 206.855469 MB of memory in use. ENERGY: 4136400 730.0452 2060.6962 1934.2892 107.7117 -206273.9711 17919.1419 0.0000 0.0000 34388.3116 -149133.7753 300.3217 -183522.0869 -149039.8156 299.5924 49.5288 86.7143 557252.6265 -0.1173 0.1295 PRESSURE: 4136600 -122.925 -49.3486 169.85 -49.349 -97.4583 59.0651 169.851 59.0651 -6.54243 GPRESSURE: 4136600 -83.0973 -104.211 113.388 -75.6861 -43.6012 54.0055 152.048 3.22333 -6.29062 PRESSAVG: 4136600 21.0536 -49.6497 5.08154 -49.6496 25.1015 -27.5266 5.08155 -27.5266 -5.48539 GPRESSAVG: 4136600 22.3171 -48.5842 6.8623 -51.6693 23.5515 -27.8067 4.64596 -26.7961 -4.3604 TIMING: 4136600 CPU: 12294.4, 0.00296542/step Wall: 12294.4, 0.00296542/step, 0.711207 hours remaining, 207.058594 MB of memory in use. ENERGY: 4136600 768.9482 2118.5150 1919.4448 104.1869 -205998.9614 17631.7707 0.0000 0.0000 34448.5644 -149007.5313 300.8479 -183456.0957 -148913.0318 299.4813 -75.6421 -44.3297 558407.5271 13.5566 13.8361 PRESSURE: 4136800 -186.104 -102.544 27.8227 -102.545 -347.605 100.167 27.8221 100.168 -337.755 GPRESSURE: 4136800 -115.273 -62.6446 79.4882 -139.047 -359.19 73.7629 -3.91547 98.7243 -283.358 PRESSAVG: 4136800 7.99836 -79.7279 -3.4205 -79.728 7.9922 52.8315 -3.42051 52.8315 -8.63896 GPRESSAVG: 4136800 6.69883 -79.8193 -2.84329 -78.7023 8.22394 53.2777 -2.07353 52.9013 -8.37657 TIMING: 4136800 CPU: 12295, 0.00299585/step Wall: 12295, 0.00299585/step, 0.718338 hours remaining, 207.058594 MB of memory in use. ENERGY: 4136800 787.8866 2060.9320 1922.2796 114.0412 -205821.2352 17473.6914 0.0000 0.0000 34562.8625 -148899.5419 301.8461 -183462.4044 -148805.9291 300.4561 -290.4880 -252.6068 558018.7656 2.4505 2.1821 PRESSURE: 4137000 -309.247 67.0602 87.3939 67.0608 13.8464 -54.3054 87.3945 -54.3045 62.9645 GPRESSURE: 4137000 -251.732 111.428 104.366 73.7889 28.5722 -56.0102 89.679 17.8084 84.6945 PRESSAVG: 4137000 -24.7683 -29.4447 22.6226 -29.4447 -35.3637 16.0284 22.6226 16.0283 79.9956 GPRESSAVG: 4137000 -23.2542 -28.4124 23.5269 -29.6103 -35.4673 16.162 20.8338 15.9168 78.1454 TIMING: 4137000 CPU: 12295.5, 0.00294772/step Wall: 12295.5, 0.00294772/step, 0.706635 hours remaining, 207.058594 MB of memory in use. ENERGY: 4137000 738.4935 2104.9731 1949.3190 125.5096 -205819.3044 17701.8106 0.0000 0.0000 34492.2347 -148706.9640 301.2293 -183199.1986 -148612.5186 301.0829 -77.4788 -46.1551 558511.1037 6.6212 6.4746 PRESSURE: 4137200 -230.162 128.506 198.552 128.507 -113.876 133.408 198.553 133.409 -220.273 GPRESSURE: 4137200 -204.623 128.159 162.113 111.971 -65.533 56.8856 221.16 151.229 -200.962 PRESSAVG: 4137200 -30.034 -32.5178 10.2468 -32.5178 -9.10439 9.18492 10.2468 9.18494 45.4484 GPRESSAVG: 4137200 -31.2764 -33.8064 10.5892 -32.3512 -8.18104 9.77192 10.5457 9.26887 46.2604 TIMING: 4137200 CPU: 12296.1, 0.00291121/step Wall: 12296.1, 0.00291121/step, 0.69772 hours remaining, 207.058594 MB of memory in use. ENERGY: 4137200 776.5928 2134.7575 1912.0782 117.5571 -205618.2669 17435.8405 0.0000 0.0000 34412.2817 -148829.1591 300.5310 -183241.4408 -148727.6731 300.4411 -188.1036 -157.0394 559055.5862 2.1033 2.2677 PRESSURE: 4137400 -57.1786 40.7728 -38.2103 40.7726 88.2256 45.4325 -38.2113 45.4325 116.581 GPRESSURE: 4137400 -20.1232 53.131 -74.9805 44.5752 73.2313 47.2708 -19.4887 50.8486 184.644 PRESSAVG: 4137400 -3.67254 48.1538 -7.20686 48.1539 -12.7598 12.3943 -7.20692 12.3944 12.6823 GPRESSAVG: 4137400 -2.51065 48.4584 -10.5583 48.2956 -12.5793 11.3962 -4.57554 11.0193 10.8727 TIMING: 4137400 CPU: 12296.7, 0.0029458/step Wall: 12296.7, 0.0029458/step, 0.705847 hours remaining, 207.058594 MB of memory in use. ENERGY: 4137400 735.3387 2098.8345 1938.2464 108.7563 -206194.0241 17964.8923 0.0000 0.0000 34434.6665 -148913.2894 300.7265 -183347.9559 -148818.4706 300.1103 49.2094 79.2506 559168.7258 -1.2500 -1.4057 PRESSURE: 4137600 -138.573 211.153 -86.217 211.154 124.504 -66.6468 -86.2165 -66.6467 -77.1331 GPRESSURE: 4137600 -61.8032 113.972 -80.8807 299.181 98.2047 -125.586 -121.453 -36.1792 -40.0521 PRESSAVG: 4137600 -47.1433 -15.466 14.8583 -15.4659 16.7603 -1.74565 14.8583 -1.74569 25.6959 GPRESSAVG: 4137600 -47.0462 -14.1377 17.1187 -15.3016 15.1298 -1.50801 14.9951 0.498116 27.6487 TIMING: 4137600 CPU: 12297.3, 0.00293537/step Wall: 12297.3, 0.00293537/step, 0.703184 hours remaining, 207.058594 MB of memory in use. ENERGY: 4137600 729.0666 2041.0041 1933.2550 117.7689 -205845.5444 17762.9358 0.0000 0.0000 34315.1450 -148946.3690 299.6827 -183261.5140 -148848.1333 299.8497 -30.4007 -1.2168 558527.1964 -1.5624 -1.4226 PRESSURE: 4137800 23.7692 48.413 19.8367 48.4136 273.327 46.6208 19.8369 46.6205 98.0483 GPRESSURE: 4137800 118.65 18.0116 0.754841 32.5009 298.811 38.6064 -27.1316 118.009 82.0249 PRESSAVG: 4137800 -49.5898 9.64481 -10.2444 9.64493 55.4798 38.7785 -10.2444 38.7786 35.4787 GPRESSAVG: 4137800 -49.9115 8.07449 -10.4803 10.1372 56.7407 38.9538 -11.2944 38.252 34.3501 TIMING: 4137800 CPU: 12297.9, 0.00290845/step Wall: 12297.9, 0.00290845/step, 0.696574 hours remaining, 207.058594 MB of memory in use. ENERGY: 4137800 716.1992 2084.1172 1926.4390 126.6102 -206438.8384 18019.4157 0.0000 0.0000 34410.9315 -149155.1255 300.5192 -183566.0570 -149062.0759 299.4511 131.7148 166.4954 556953.0513 13.7896 13.7264 PRESSURE: 4138000 -120.096 26.1797 118.634 26.1789 113.916 -153.804 118.634 -153.804 -182.363 GPRESSURE: 4138000 -104.615 14.2802 143.095 77.3302 141.307 -155.305 167.346 -96.5978 -108.398 PRESSAVG: 4138000 -17.0886 28.7889 43.5447 28.789 16.7603 -6.38775 43.5447 -6.38786 41.7515 GPRESSAVG: 4138000 -17.9257 26.675 42.3099 27.4508 16.8365 -7.35851 41.4937 -4.57757 43.0523 TIMING: 4138000 CPU: 12298.5, 0.00292668/step Wall: 12298.5, 0.00292668/step, 0.700778 hours remaining, 207.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4138000 754.3354 2068.0869 1933.2639 114.6957 -205874.3851 17728.6442 0.0000 0.0000 34318.8335 -148956.5254 299.7149 -183275.3589 -148858.3058 299.7997 -62.8476 -23.9022 557850.0976 13.8077 13.9877 PRESSURE: 4138200 147.237 -73.2791 144.413 -73.2806 -338.037 63.8592 144.412 63.8606 -259.004 GPRESSURE: 4138200 146.671 -115.634 52.6125 -107.581 -276.118 77.0204 163.091 78.9222 -224.466 PRESSAVG: 4138200 13.9844 -14.4835 49.7258 -14.4836 -19.9461 -26.6006 49.7258 -26.6007 -27.4326 GPRESSAVG: 4138200 14.6574 -12.5489 51.4964 -14.0529 -20.7323 -27.3492 52.1264 -27.7558 -26.9806 TIMING: 4138200 CPU: 12299.1, 0.00291092/step Wall: 12299.1, 0.00291092/step, 0.696842 hours remaining, 207.058594 MB of memory in use. ENERGY: 4138200 751.2694 2096.5794 1968.3394 110.5739 -205837.1046 17706.1854 0.0000 0.0000 34224.9961 -148979.1610 298.8954 -183204.1571 -148889.3929 299.4344 -149.9347 -117.9711 559418.2637 -11.1314 -11.0185 PRESSURE: 4138400 -65.1452 60.9316 92.4803 60.9303 -9.73255 -48.6477 92.4815 -48.6461 81.9277 GPRESSURE: 4138400 30.6506 99.0549 36.029 72.9522 -3.75251 5.58744 136.792 -134.187 73.6718 PRESSAVG: 4138400 49.3096 -42.9428 2.79591 -42.9428 -22.7349 -41.0284 2.79598 -41.0283 -29.8844 GPRESSAVG: 4138400 49.7916 -41.428 1.95168 -43.3035 -21.9876 -40.3532 1.08448 -42.9054 -31.0006 TIMING: 4138400 CPU: 12299.6, 0.0029228/step Wall: 12299.6, 0.0029228/step, 0.699525 hours remaining, 207.058594 MB of memory in use. ENERGY: 4138400 789.3141 2143.9533 1936.9069 101.7446 -206301.6091 17930.3792 0.0000 0.0000 34409.0043 -148990.3068 300.5024 -183399.3110 -148893.5987 299.7102 2.3500 33.5233 557339.3048 -1.1032 -1.0655 PRESSURE: 4138600 -186.862 141.877 -271.222 141.878 208.053 -29.4671 -271.221 -29.4674 140.01 GPRESSURE: 4138600 -116.685 227.86 -232.475 17.5593 212.703 -54.415 -228.463 -46.0868 170.702 PRESSAVG: 4138600 -24.7473 31.3178 33.3955 31.3179 -6.56291 3.17651 33.3956 3.17639 16.1184 GPRESSAVG: 4138600 -24.8559 29.7817 32.0811 32.7074 -6.73883 2.17011 33.5495 2.87893 16.4224 TIMING: 4138600 CPU: 12300.2, 0.00293087/step Wall: 12300.2, 0.00293087/step, 0.701293 hours remaining, 207.058594 MB of memory in use. ENERGY: 4138600 771.5724 2121.8645 1933.3187 104.3333 -206559.1585 18110.1802 0.0000 0.0000 34391.8132 -149126.0761 300.3523 -183517.8893 -149031.6413 299.6318 53.7336 88.9068 557126.0537 -5.0639 -5.0574 PRESSURE: 4138800 19.351 -49.7717 131.193 -49.7701 -36.8508 16.344 131.194 16.3445 -176.359 GPRESSURE: 4138800 5.56554 43.3783 117.46 -96.7922 -18.8885 53.6568 -34.5529 -52.1261 -79.4632 PRESSAVG: 4138800 -55.7746 -27.1213 10.2224 -27.1214 55.3175 34.7957 10.2224 34.7957 21.2254 GPRESSAVG: 4138800 -55.5899 -27.7085 11.712 -27.7138 54.7188 36.2951 9.82147 34.8851 21.1661 TIMING: 4138800 CPU: 12300.8, 0.0029351/step Wall: 12300.8, 0.0029351/step, 0.702141 hours remaining, 207.058594 MB of memory in use. ENERGY: 4138800 741.2471 2090.4895 1928.1272 108.9455 -206345.2906 17929.4175 0.0000 0.0000 34211.3111 -149335.7528 298.7759 -183547.0639 -149235.4852 299.4254 -64.6195 -30.9287 558945.8890 6.9228 6.7650 PRESSURE: 4139000 -43.969 -108.213 -22.1855 -108.213 70.6766 245.726 -22.1859 245.726 -24.2678 GPRESSURE: 4139000 -19.5127 -80.9047 99.0875 -71.6622 75.287 195.493 -0.99948 191.5 47.5851 PRESSAVG: 4139000 -43.1067 -113.59 -25.8128 -113.59 33.8789 0.463681 -25.8128 0.463719 -9.10992 GPRESSAVG: 4139000 -43.7664 -112.795 -26.845 -115.333 34.304 -0.644437 -25.3214 1.18425 -8.29354 TIMING: 4139000 CPU: 12301.4, 0.00292817/step Wall: 12301.4, 0.00292817/step, 0.70032 hours remaining, 207.058594 MB of memory in use. ENERGY: 4139000 744.6244 2083.9999 1950.7698 107.9496 -206254.8994 17832.4060 0.0000 0.0000 34299.4456 -149235.7041 299.5456 -183535.1498 -149131.5682 299.2126 0.8133 34.4531 557189.5332 -6.1126 -5.9187 PRESSURE: 4139200 -71.2847 -213.575 93.1243 -213.575 -123.828 40.1159 93.1245 40.1176 -96.4214 GPRESSURE: 4139200 -90.6283 -215.952 -10.6556 -179.017 -34.9662 59.3201 140.633 77.926 -71.4181 PRESSAVG: 4139200 -44.9212 -112.179 11.9508 -112.179 31.3436 -15.2173 11.9508 -15.2173 40.4116 GPRESSAVG: 4139200 -44.7685 -113.474 11.9424 -110.425 31.0881 -16.1448 12.0804 -14.0742 41.05 TIMING: 4139200 CPU: 12302, 0.00293969/step Wall: 12302, 0.00293969/step, 0.702912 hours remaining, 207.058594 MB of memory in use. ENERGY: 4139200 739.7250 2128.9260 1943.8285 120.9871 -206231.5645 17888.6802 0.0000 0.0000 34239.3760 -149170.0417 299.0210 -183409.4176 -149076.5669 298.5875 -97.1779 -65.6709 557590.9235 8.9447 9.1232 PRESSURE: 4139400 -155.921 -214.416 -79.9252 -214.417 -363.157 -21.0756 -79.9251 -21.0761 97.085 GPRESSURE: 4139400 -70.9507 -207.636 -71.0596 -250.458 -370.448 -61.3341 -61.6142 9.01346 125.599 PRESSAVG: 4139400 -13.2258 -35.613 -29.0578 -35.6129 -11.2966 67.6534 -29.0578 67.6534 32.6936 GPRESSAVG: 4139400 -12.6272 -34.5807 -29.4606 -35.015 -11.2417 67.8998 -29.9905 68.7474 32.2302 TIMING: 4139400 CPU: 12302.6, 0.00291596/step Wall: 12302.6, 0.00291596/step, 0.697077 hours remaining, 207.058594 MB of memory in use. ENERGY: 4139400 744.7267 2094.2078 1939.2015 118.1405 -205971.9719 17511.4349 0.0000 0.0000 34415.0597 -149149.2008 300.5553 -183564.2606 -149053.4096 299.3451 -140.6642 -105.2666 556874.8365 2.7238 2.7871 PRESSURE: 4139600 -172.027 188.949 -51.6821 188.95 -24.2434 72.168 -51.6824 72.1696 -71.9364 GPRESSURE: 4139600 -148.475 167.117 -105.444 195.51 16.7195 56.646 -38.6598 71.599 -34.8026 PRESSAVG: 4139600 -7.65497 -20.4447 -11.2739 -20.4448 -30.228 25.1158 -11.2739 25.1158 17.1087 GPRESSAVG: 4139600 -9.34067 -21.9749 -10.7043 -20.067 -28.8566 24.7055 -11.7559 23.0891 17.266 TIMING: 4139600 CPU: 12303.2, 0.00292182/step Wall: 12303.2, 0.00292182/step, 0.698316 hours remaining, 207.058594 MB of memory in use. ENERGY: 4139600 750.4877 2127.9994 1914.3597 111.8093 -206299.3048 17945.7387 0.0000 0.0000 34322.4980 -149126.4121 299.7469 -183448.9101 -149030.0820 300.0182 -89.4024 -55.5193 557836.7392 -6.9248 -6.9771 PRESSURE: 4139800 142.618 69.8176 117.116 69.8175 95.479 -112.537 117.115 -112.537 64.078 GPRESSURE: 4139800 155.026 24.1923 103.356 -27.2993 173.352 -98.4279 105.601 -149.656 62.2832 PRESSAVG: 4139800 23.0704 51.3073 -27.9554 51.3072 -5.18252 -4.3913 -27.9554 -4.39127 -35.1251 GPRESSAVG: 4139800 23.9156 51.6976 -28.705 48.9308 -4.63551 -2.01478 -25.199 -4.93183 -36.0153 TIMING: 4139800 CPU: 12303.7, 0.00293514/step Wall: 12303.7, 0.00293514/step, 0.701336 hours remaining, 207.058594 MB of memory in use. ENERGY: 4139800 758.6645 2101.6851 1938.8850 123.8896 -206146.5222 17796.4384 0.0000 0.0000 34294.9238 -149132.0357 299.5061 -183426.9596 -149045.7187 300.1065 100.7250 130.2204 556381.6089 -5.7458 -5.5784 PRESSURE: 4140000 -213.528 113.499 -84.5218 113.501 13.5162 192.045 -84.5217 192.045 -33.9269 GPRESSURE: 4140000 -168.437 190.391 -79.2502 169.851 4.78403 252.509 -48.2341 124.336 33.9825 PRESSAVG: 4140000 -42.9879 20.7307 -22.6409 20.7307 33.9897 -12.2272 -22.6408 -12.2271 -7.60293 GPRESSAVG: 4140000 -42.3712 21.8987 -20.1574 21.3173 31.9654 -11.8385 -22.8102 -12.8704 -6.30754 TIMING: 4140000 CPU: 12304.3, 0.00295885/step Wall: 12304.3, 0.00295885/step, 0.706836 hours remaining, 207.058594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4140000 744.7968 2110.1423 1945.6308 107.5347 -206148.3677 17731.7977 0.0000 0.0000 34156.2980 -149352.1674 298.2954 -183508.4654 -149261.3506 299.4210 -77.9797 -43.2235 556896.7045 -5.5337 -5.5711 PRESSURE: 4140200 -93.2359 -29.564 39.3064 -29.5638 -222.68 108.429 39.3061 108.427 303.91 GPRESSURE: 4140200 -87.872 -16.1994 46.1054 47.2036 -84.6811 74.4126 54.9181 218.851 255.874 PRESSAVG: 4140200 -71.1188 27.9796 -36.7778 27.9797 22.5359 58.9911 -36.7777 58.9911 20.9465 GPRESSAVG: 4140200 -70.9839 28.9199 -41.1071 28.9617 23.6693 55.7433 -36.1805 60.5988 19.8062 TIMING: 4140200 CPU: 12304.9, 0.00294923/step Wall: 12304.9, 0.00294923/step, 0.704375 hours remaining, 207.058594 MB of memory in use. ENERGY: 4140200 708.4185 2123.7265 1933.6735 98.3922 -206170.3162 17769.1686 0.0000 0.0000 34172.4691 -149364.4677 298.4367 -183536.9368 -149264.8980 298.7207 -4.0019 27.7737 556792.9136 -9.2121 -9.1694 LDB: ============= START OF LOAD BALANCING ============== 12308.5 LDB: ============== END OF LOAD BALANCING =============== 12308.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12308.5 LDB: ============= START OF LOAD BALANCING ============== 12308.8 LDB: Largest compute 4809 load 0.022887 is 19.4% of average load 0.118204 LDB: Average compute 0.001742 is 1.5% of average load 0.118204 LDB: TIME 12308.8 LOAD: AVG 0.118204 MAX 0.19614 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.625 MB LDB: TIME 12308.8 LOAD: AVG 0.118204 MAX 0.19614 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.625 MB LDB: TIME 12308.8 LOAD: AVG 0.118204 MAX 0.19614 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.625 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12308.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12308.8 PRESSURE: 4140400 -90.8493 -63.6245 -0.782752 -63.6247 -79.7031 -61.0781 -0.7845 -61.0804 319.685 GPRESSURE: 4140400 -91.8674 -103.393 -20.1956 -81.345 -12.9884 -109.794 53.5285 19.0793 338.478 PRESSAVG: 4140400 -7.49835 16.747 28.0349 16.7469 1.73423 24.6231 28.0349 24.6232 24.1907 GPRESSAVG: 4140400 -6.86692 16.4876 31.011 15.641 0.57078 25.1825 25.7301 23.7649 24.1476 TIMING: 4140400 CPU: 12305.5, 0.00298512/step Wall: 12305.5, 0.00298512/step, 0.712781 hours remaining, 205.828125 MB of memory in use. ENERGY: 4140400 764.7182 2048.1306 1930.1747 119.2332 -206303.7920 17860.1854 0.0000 0.0000 34313.9945 -149267.3555 299.6726 -183581.3499 -149166.3907 299.8696 49.7109 77.8740 556822.0876 6.1422 5.9505 PRESSURE: 4140600 -155.051 109.854 101.613 109.854 -69.8774 3.91926 101.613 3.92133 32.527 GPRESSURE: 4140600 -134.297 100.862 143.162 131.903 -22.9914 0.476937 95.8143 36.0904 62.77 PRESSAVG: 4140600 16.7456 -29.7962 30.3263 -29.7962 -28.0213 31.3983 30.3263 31.3984 -3.10546 GPRESSAVG: 4140600 16.4094 -31.9967 26.4082 -26.4759 -26.5623 31.2676 32.834 32.0661 -3.76866 TIMING: 4140600 CPU: 12306.1, 0.00294726/step Wall: 12306.1, 0.00294726/step, 0.703577 hours remaining, 205.828125 MB of memory in use. ENERGY: 4140600 757.9630 2029.0822 1916.2024 108.8339 -206097.3796 17577.1563 0.0000 0.0000 34469.1668 -149238.9750 301.0278 -183708.1418 -149138.8173 299.1632 -64.1338 -31.5062 556185.8438 -4.7937 -4.6405 PRESSURE: 4140800 -262.215 4.0114 -91.7736 4.01305 -30.9526 18.1685 -91.7739 18.1683 -138.034 GPRESSURE: 4140800 -225.968 51.9861 -86.8721 -10.9434 93.0349 36.4325 -81.3453 -111.289 -206.654 PRESSAVG: 4140800 -25.9719 -26.2208 21.3031 -26.2209 29.6798 34.9497 21.303 34.9498 19.4514 GPRESSAVG: 4140800 -26.2305 -24.9253 24.102 -29.8042 29.1182 36.1891 20.0117 34.2649 20.2391 TIMING: 4140800 CPU: 12306.7, 0.00293517/step Wall: 12306.7, 0.00293517/step, 0.700528 hours remaining, 205.828125 MB of memory in use. ENERGY: 4140800 751.1066 2069.3700 1950.1193 109.6336 -205748.1621 17477.1443 0.0000 0.0000 34107.4807 -149283.3077 297.8691 -183390.7884 -149193.1919 298.6619 -143.7340 -113.1955 556980.1923 7.7197 7.7089 PRESSURE: 4141000 -9.74366 -196.79 -26.5856 -196.789 238.093 -44.4129 -26.5861 -44.4142 -90.4866 GPRESSURE: 4141000 9.90265 -260.159 -70.3788 -96.0858 302.514 28.0821 27.1233 -115.102 -65.3402 PRESSAVG: 4141000 -77.1372 -47.7424 36.0529 -47.7423 51.8955 17.4049 36.0528 17.4049 -5.6219 GPRESSAVG: 4141000 -77.6835 -48.5058 34.6432 -46.807 51.0736 17.0193 35.4872 18.9657 -4.55996 TIMING: 4141000 CPU: 12307.3, 0.00292791/step Wall: 12307.3, 0.00292791/step, 0.698631 hours remaining, 205.828125 MB of memory in use. ENERGY: 4141000 748.4994 2145.1414 1950.9283 125.2432 -206396.1545 17815.4907 0.0000 0.0000 34280.3684 -149330.4829 299.3790 -183610.8514 -149233.6102 298.6360 45.9543 82.3589 556754.0808 -10.2879 -10.3899 PRESSURE: 4141200 -157.743 118.242 -16.9382 118.24 -91.6029 -22.0126 -16.9377 -22.0117 42.9117 GPRESSURE: 4141200 -106.064 150.792 32.0092 100.472 -75.7988 -66.6966 66.3067 -56.5574 79.7663 PRESSAVG: 4141200 -15.968 -8.66781 -16.4429 -8.6677 72.4313 -4.67276 -16.4428 -4.67264 2.10164 GPRESSAVG: 4141200 -14.502 -9.00293 -14.6228 -8.7779 73.2827 -4.09434 -17.0292 -6.50382 -0.404468 TIMING: 4141200 CPU: 12307.9, 0.00291194/step Wall: 12307.9, 0.00291194/step, 0.694659 hours remaining, 205.828125 MB of memory in use. ENERGY: 4141200 748.4289 2123.0513 1954.2141 124.2171 -206433.9845 17715.9409 0.0000 0.0000 34309.9940 -149458.1383 299.6377 -183768.1323 -149358.8471 299.1154 -68.8113 -34.0322 555859.6114 19.5216 19.4588 PRESSURE: 4141400 -309.39 130.964 49.7918 130.963 37.9901 82.2417 49.7921 82.2408 -191.512 GPRESSURE: 4141400 -240.495 121.576 93.0901 158.73 18.0381 46.3874 40.1178 131.441 -143.139 PRESSAVG: 4141400 4.34064 8.3535 -42.334 8.35354 -4.17225 11.8638 -42.3338 11.8638 -22.7027 GPRESSAVG: 4141400 2.92263 8.36 -45.0716 9.03164 -4.42626 10.8793 -40.3366 13.9302 -21.5217 TIMING: 4141400 CPU: 12308.4, 0.00290139/step Wall: 12308.4, 0.00290139/step, 0.69198 hours remaining, 205.828125 MB of memory in use. ENERGY: 4141400 800.1436 2139.3703 1925.4194 123.3056 -206164.6862 17775.5049 0.0000 0.0000 33988.1559 -149412.7865 296.8270 -183400.9424 -149306.4933 298.4123 -154.3039 -121.8652 557193.1552 -7.5114 -7.6751 PRESSURE: 4141600 300.568 48.391 79.2901 48.3898 183.826 -16.737 79.2897 -16.735 -161.711 GPRESSURE: 4141600 296.963 110.805 38.5603 -6.21884 228.9 18.6701 185.897 -71.9347 -107.671 PRESSAVG: 4141600 -19.9869 -12.3539 -8.97083 -12.3539 21.4361 -10.5882 -8.97086 -10.5881 -24.74 GPRESSAVG: 4141600 -20.7879 -12.3402 -6.90839 -11.8046 21.9697 -7.79877 -9.28935 -14.3473 -24.8041 TIMING: 4141600 CPU: 12309, 0.00293006/step Wall: 12309, 0.00293006/step, 0.698657 hours remaining, 205.828125 MB of memory in use. ENERGY: 4141600 788.2522 2117.8929 1975.8272 105.5564 -206712.8287 18190.4311 0.0000 0.0000 34181.5422 -149353.3267 298.5159 -183534.8689 -149261.9279 298.2730 107.5609 139.3975 556904.5501 -7.7636 -7.8741 PRESSURE: 4141800 -122.492 17.5759 -59.975 17.5759 27.7433 -2.08869 -59.9739 -2.08809 47.6368 GPRESSURE: 4141800 -17.3501 35.6157 -4.75282 -9.58743 32.3993 108.039 -77.4404 -80.1521 40.6424 PRESSAVG: 4141800 -28.7323 -19.1596 2.35608 -19.1596 65.9641 3.97067 2.35596 3.97061 -27.5918 GPRESSAVG: 4141800 -26.629 -16.1594 3.72446 -22.1728 65.5478 2.54426 3.47839 4.46473 -29.0609 TIMING: 4141800 CPU: 12309.6, 0.00292572/step Wall: 12309.6, 0.00292572/step, 0.69746 hours remaining, 205.828125 MB of memory in use. ENERGY: 4141800 745.2754 2142.3645 1954.8892 113.3659 -206294.9178 17818.1553 0.0000 0.0000 34130.5367 -149390.3309 298.0705 -183520.8676 -149292.4756 298.7202 -15.7039 18.5639 556691.2743 3.2133 3.2859 PRESSURE: 4142000 117.283 -115.493 17.3822 -115.494 -116.035 18.5495 17.383 18.5499 65.5172 GPRESSURE: 4142000 146.964 -148.873 57.5256 -43.7109 -101.263 -12.6849 5.38848 42.5539 118.93 PRESSAVG: 4142000 17.9792 -18.6915 14.9459 -18.6916 -91.9592 -37.3916 14.9459 -37.3917 52.1981 GPRESSAVG: 4142000 16.3772 -22.1135 13.2545 -17.7055 -92.6341 -37.5446 14.0815 -35.8626 53.9239 TIMING: 4142000 CPU: 12310.2, 0.00294958/step Wall: 12310.2, 0.00294958/step, 0.702982 hours remaining, 205.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4142000 718.8036 2099.2889 1937.8462 114.6449 -206547.3431 17911.4079 0.0000 0.0000 34291.5433 -149473.8083 299.4766 -183765.3517 -149372.2032 298.7237 22.2550 54.8771 557903.6420 -7.2606 -7.4444 PRESSURE: 4142200 38.7625 -94.3013 -272.035 -94.3017 -154.244 -223.635 -272.034 -223.636 -164.784 GPRESSURE: 4142200 31.329 -100.801 -235.238 -65.9347 -83.5708 -193.108 -299.393 -186.097 -123.473 PRESSAVG: 4142200 32.1133 -36.292 -48.0111 -36.292 4.06069 35.6322 -48.0111 35.6322 -39.7501 GPRESSAVG: 4142200 34.0843 -33.8498 -47.5794 -35.3284 3.37632 35.8117 -48.0703 34.7712 -41.098 TIMING: 4142200 CPU: 12310.8, 0.00295161/step Wall: 12310.8, 0.00295161/step, 0.703303 hours remaining, 205.828125 MB of memory in use. ENERGY: 4142200 803.3144 2064.9210 1938.2307 123.8795 -206311.6792 17996.8614 0.0000 0.0000 34028.0613 -149356.4109 297.1755 -183384.4722 -149258.8450 298.9656 -93.4218 -58.5715 558221.3802 -1.1920 -1.2125 PRESSURE: 4142400 -41.7104 -275.393 -25.2517 -275.392 -53.0687 -40.0611 -25.251 -40.0615 -11.4599 GPRESSURE: 4142400 -22.9024 -258.893 -24.5237 -289.471 6.53948 -74.8573 16.125 -54.2777 15.9064 PRESSAVG: 4142400 -33.9316 -23.3473 6.22502 -23.3473 9.23429 -45.7469 6.22505 -45.7469 -4.052 GPRESSAVG: 4142400 -35.0688 -24.3995 7.60866 -22.7272 11.2254 -45.8753 2.35026 -44.4043 -4.56661 TIMING: 4142400 CPU: 12311.4, 0.00293194/step Wall: 12311.4, 0.00293194/step, 0.698452 hours remaining, 205.828125 MB of memory in use. ENERGY: 4142400 757.9597 2109.9952 1945.6013 108.4674 -206845.3488 18111.7281 0.0000 0.0000 34248.1762 -149563.4210 299.0978 -183811.5971 -149464.2484 298.7509 -35.4130 -0.1522 557274.1685 -9.5831 -9.4700 PRESSURE: 4142600 -235.961 30.7007 205.382 30.7015 213.833 149.42 205.382 149.42 27.0911 GPRESSURE: 4142600 -177.113 -83.557 190.199 57.9715 135.975 156.388 201.445 105.373 135.424 PRESSAVG: 4142600 -27.861 -21.2683 24.7097 -21.2683 52.963 12.5381 24.7095 12.5381 8.7071 GPRESSAVG: 4142600 -27.3349 -22.3677 22.4732 -23.093 50.1131 10.9141 28.4854 14.6547 10.3523 TIMING: 4142600 CPU: 12312, 0.00294264/step Wall: 12312, 0.00294264/step, 0.700838 hours remaining, 205.828125 MB of memory in use. ENERGY: 4142600 743.7966 2125.6257 1934.5962 111.9975 -206394.6721 17849.4492 0.0000 0.0000 33954.8643 -149674.3426 296.5363 -183629.2070 -149577.6292 298.0618 1.6541 31.4285 556418.0267 11.2697 11.0435 PRESSURE: 4142800 -6.94959 67.0079 76.5985 67.009 -296.146 11.052 76.5991 11.0518 -39.8564 GPRESSURE: 4142800 60.433 37.4445 117.518 106.612 -227.87 54.9341 -7.20414 53.2988 -69.9664 PRESSAVG: 4142800 -47.2072 -10.3937 0.0821869 -10.3936 11.2543 -1.63546 0.0820799 -1.63562 -11.7687 GPRESSAVG: 4142800 -47.5931 -11.1244 -0.0773591 -7.86544 12.445 1.82882 1.27461 -3.8629 -12.5546 TIMING: 4142800 CPU: 12312.6, 0.00297779/step Wall: 12312.6, 0.00297779/step, 0.709044 hours remaining, 205.828125 MB of memory in use. ENERGY: 4142800 741.8507 2102.7408 1938.8835 122.0485 -206375.6039 17670.5125 0.0000 0.0000 34238.3947 -149561.1732 299.0124 -183799.5678 -149465.0910 297.6589 -114.3173 -79.1346 556706.5195 -15.9072 -15.9009 PRESSURE: 4143000 95.0411 5.56143 69.827 5.55975 -208.653 128.562 69.8261 128.562 45.3742 GPRESSURE: 4143000 125.878 17.8724 131.903 -69.364 -150.862 73.3017 77.2235 119.085 54.5809 PRESSAVG: 4143000 29.2098 -29.3442 -18.1318 -29.3443 -1.2762 -2.89979 -18.1317 -2.89973 -35.2318 GPRESSAVG: 4143000 29.0479 -27.4277 -17.5494 -30.8686 -1.70974 -3.83014 -18.2062 -3.91115 -34.888 TIMING: 4143000 CPU: 12313.2, 0.00296331/step Wall: 12313.2, 0.00296331/step, 0.705432 hours remaining, 205.828125 MB of memory in use. ENERGY: 4143000 747.3239 2072.3897 1921.9689 113.2122 -206196.3907 17723.2651 0.0000 0.0000 34140.8112 -149477.4196 298.1602 -183618.2308 -149382.2258 298.3425 -22.7460 9.8655 557201.7350 -2.4328 -2.5166 PRESSURE: 4143200 -148.038 94.8726 178.122 94.8724 5.21078 -60.5912 178.123 -60.59 24.7487 GPRESSURE: 4143200 -136.126 65.4566 235.133 -15.5388 69.9186 -164.111 292.572 -86.7333 46.0038 PRESSAVG: 4143200 44.8316 5.51345 62.0571 5.51344 -69.3262 13.189 62.0571 13.1889 13.4455 GPRESSAVG: 4143200 43.6291 6.33133 62.9872 4.17523 -68.8618 10.9184 61.7313 14.3159 14.2507 TIMING: 4143200 CPU: 12313.7, 0.0029503/step Wall: 12313.7, 0.0029503/step, 0.702171 hours remaining, 205.828125 MB of memory in use. ENERGY: 4143200 762.3763 2062.8274 1946.2479 97.4019 -206058.3234 17763.6638 0.0000 0.0000 33962.1389 -149463.6671 296.5998 -183425.8060 -149367.1822 298.8229 -39.3596 -6.7346 557975.8083 -3.6831 -3.6607 PRESSURE: 4143400 140.849 -68.9693 56.2066 -68.9682 54.8124 -74.8417 56.2064 -74.8419 -291.773 GPRESSURE: 4143400 123.908 -44.3909 67.6 -69.6791 97.5048 -162.029 35.2979 -22.3624 -224.16 PRESSAVG: 4143400 -65.4713 42.1236 14.9941 42.1236 40.4296 -13.2349 14.9942 -13.2349 5.1452 GPRESSAVG: 4143400 -64.4668 41.9299 13.9952 43.5541 40.4963 -11.3644 15.2031 -15.7356 3.99852 TIMING: 4143400 CPU: 12314.3, 0.00295033/step Wall: 12314.3, 0.00295033/step, 0.702015 hours remaining, 205.828125 MB of memory in use. ENERGY: 4143400 764.1478 2126.9409 1926.4861 103.4374 -206287.0173 17670.8935 0.0000 0.0000 34188.0439 -149507.0677 298.5727 -183695.1116 -149419.7714 298.5178 -32.0373 -0.9156 556309.7759 -6.6321 -6.6573 PRESSURE: 4143600 -80.1812 -162.828 165.946 -162.829 107.515 36.042 165.946 36.0412 167.882 GPRESSURE: 4143600 -46.8078 -139.76 205.208 -125.598 130.771 -62.2907 207.45 50.9633 205.584 PRESSAVG: 4143600 -73.6864 -4.44742 21.7226 -4.44752 19.2754 36.2054 21.7226 36.2054 40.311 GPRESSAVG: 4143600 -74.4868 -5.59175 21.036 -4.47688 20.4121 34.3375 20.1593 37.7591 40.1186 TIMING: 4143600 CPU: 12314.9, 0.00293263/step Wall: 12314.9, 0.00293263/step, 0.697641 hours remaining, 205.828125 MB of memory in use. ENERGY: 4143600 770.6748 2088.3606 1935.8434 112.7705 -206679.7470 18105.4590 0.0000 0.0000 34221.4017 -149445.2370 298.8640 -183666.6386 -149354.2945 298.5175 65.0719 96.5157 557245.2967 -4.7000 -4.6520 PRESSURE: 4143800 -131.869 -38.3949 -0.284591 -38.3944 182.138 211.105 -0.285153 211.106 19.6396 GPRESSURE: 4143800 -126.344 74.5711 68.0168 -97.616 162.252 199.217 -51.6809 167.914 124.519 PRESSAVG: 4143800 26.3934 12.5599 32.6959 12.5599 10.1027 6.85483 32.6959 6.85488 -10.718 GPRESSAVG: 4143800 26.1326 11.9351 33.4035 13.5365 9.15072 7.28331 32.8649 7.05433 -9.92247 TIMING: 4143800 CPU: 12315.5, 0.00293112/step Wall: 12315.5, 0.00293112/step, 0.697118 hours remaining, 205.828125 MB of memory in use. ENERGY: 4143800 739.0912 2087.8658 1924.2839 128.1491 -206610.4964 17921.8616 0.0000 0.0000 34219.8056 -149589.4392 298.8501 -183809.2448 -149491.4787 298.2010 23.3028 53.4760 557922.1112 8.5927 8.4536 PRESSURE: 4144000 155.07 -23.7338 -16.7117 -23.7315 225.957 16.645 -16.7109 16.6443 86.3304 GPRESSURE: 4144000 217.538 100.931 -28.0308 51.6925 251.069 -13.636 -35.513 74.5578 94.5046 PRESSAVG: 4144000 32.209 -12.8246 23.4262 -12.8246 53.0688 11.5443 23.4263 11.5444 -67.8818 GPRESSAVG: 4144000 32.8762 -10.5888 24.9156 -13.6591 53.7424 11.931 23.7336 12.1487 -69.4127 TIMING: 4144000 CPU: 12316.1, 0.002921/step Wall: 12316.1, 0.002921/step, 0.69455 hours remaining, 205.828125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4144000 746.4045 2108.2889 1950.6585 117.4607 -206719.2151 18004.7222 0.0000 0.0000 34435.9783 -149355.7020 300.7380 -183791.6803 -149255.1979 298.4949 155.7857 187.7036 556285.7378 5.7987 5.7353 PRESSURE: 4144200 -95.2226 63.1031 106.012 63.1039 58.317 -6.35928 106.011 -6.35971 152.688 GPRESSURE: 4144200 -77.9324 30.1875 81.7613 149.21 85.9261 61.1698 106.423 -111.545 204.368 PRESSAVG: 4144200 -34.9612 46.269 10.3574 46.269 -9.62807 9.10503 10.3575 9.10497 22.9481 GPRESSAVG: 4144200 -34.3683 43.9348 8.67003 46.6406 -10.869 10.0424 9.70579 7.2396 23.6415 TIMING: 4144200 CPU: 12316.7, 0.00295622/step Wall: 12316.7, 0.00295622/step, 0.702759 hours remaining, 205.828125 MB of memory in use. ENERGY: 4144200 744.3829 2006.8903 1964.6488 105.6262 -206291.6696 17907.4159 0.0000 0.0000 34224.9496 -149337.7559 298.8950 -183562.7055 -149235.4335 299.4614 38.5941 70.7872 556571.2480 -7.2137 -7.1986 LDB: ============= START OF LOAD BALANCING ============== 12320.2 LDB: ============== END OF LOAD BALANCING =============== 12320.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12320.2 LDB: ============= START OF LOAD BALANCING ============== 12320.5 LDB: Largest compute 4809 load 0.023136 is 19.6% of average load 0.118181 LDB: Average compute 0.001736 is 1.5% of average load 0.118181 LDB: TIME 12320.5 LOAD: AVG 0.118181 MAX 0.196611 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.852 MB LDB: TIME 12320.5 LOAD: AVG 0.118181 MAX 0.196611 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.852 MB LDB: TIME 12320.5 LOAD: AVG 0.118181 MAX 0.196611 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.852 MB LDB: ============== END OF LOAD BALANCING =============== 12320.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12320.5 PRESSURE: 4144400 -27.2669 97.8021 53.1432 97.8024 -91.7854 -62.1726 53.1445 -62.1725 240.359 GPRESSURE: 4144400 8.48212 100.322 30.8876 78.6439 -10.0218 -30.5645 57.3634 -17.8316 223.072 PRESSAVG: 4144400 -30.3032 9.36369 42.0066 9.36362 -10.4356 -6.56975 42.0066 -6.56977 61.9496 GPRESSAVG: 4144400 -32.1172 8.30532 42.8667 9.61158 -8.94842 -8.95722 42.8524 -6.36551 62.9162 TIMING: 4144400 CPU: 12317.3, 0.00299911/step Wall: 12317.3, 0.00299911/step, 0.712788 hours remaining, 208.144531 MB of memory in use. ENERGY: 4144400 743.5920 2130.6797 1943.0967 119.8302 -206102.0405 17870.3499 0.0000 0.0000 34158.5487 -149135.9433 298.3151 -183294.4920 -149043.6344 298.8333 40.4354 73.8440 559166.5774 7.0702 7.2835 PRESSURE: 4144600 -337.005 116.802 -90.5402 116.8 -67.7697 -13.3261 -90.5414 -13.3262 -258.186 GPRESSURE: 4144600 -346.903 136.831 -110.435 106.845 45.0473 43.55 -103.17 -8.17845 -274.174 PRESSAVG: 4144600 -21.8628 -0.709294 -15.898 -0.70938 16.9055 -1.74506 -15.8981 -1.7451 0.32675 GPRESSAVG: 4144600 -20.543 3.29598 -16.4361 -1.72196 15.2912 -2.37205 -15.9334 -0.287805 -0.0118942 TIMING: 4144600 CPU: 12317.9, 0.00293576/step Wall: 12317.9, 0.00293576/step, 0.697569 hours remaining, 208.382812 MB of memory in use. ENERGY: 4144600 767.5152 2114.1195 1917.8023 120.1562 -206016.8922 17567.4915 0.0000 0.0000 34255.4262 -149274.3812 299.1612 -183529.8075 -149171.2437 298.6486 -220.9872 -192.0099 558735.6484 -1.5435 -1.7546 PRESSURE: 4144800 -150.348 64.1015 125.065 64.102 207.374 -91.0458 125.066 -91.0444 141.376 GPRESSURE: 4144800 -76.2519 107.832 147.239 -1.57642 205.061 -97.7321 134.577 -178.412 165.579 PRESSAVG: 4144800 -10.8649 8.6608 -58.6657 8.6608 14.2728 15.8261 -58.6657 15.8261 6.94152 GPRESSAVG: 4144800 -10.4262 7.4771 -57.531 7.56469 14.872 16.2054 -59.8716 15.4977 6.28746 TIMING: 4144800 CPU: 12318.5, 0.00293762/step Wall: 12318.5, 0.00293762/step, 0.697849 hours remaining, 208.382812 MB of memory in use. ENERGY: 4144800 754.8106 2125.9452 1931.0124 109.8681 -206312.6930 17809.6391 0.0000 0.0000 34411.4058 -149170.0118 300.5234 -183581.4176 -149071.4128 299.1331 66.1341 98.1293 557433.6259 3.4498 3.5778 PRESSURE: 4145000 38.8742 -17.4862 -7.17789 -17.4865 -73.3984 251.422 -7.17914 251.422 135.464 GPRESSURE: 4145000 70.6791 0.242353 -72.4303 28.5131 -51.8679 294.975 -70.2889 225.829 185.739 PRESSAVG: 4145000 13.1444 -12.331 38.9046 -12.331 -95.668 -20.1802 38.9047 -20.1802 54.2821 GPRESSAVG: 4145000 11.7112 -13.567 38.5993 -9.11443 -95.9638 -18.101 38.9696 -22.3646 55.6574 TIMING: 4145000 CPU: 12319, 0.00293014/step Wall: 12319, 0.00293014/step, 0.695909 hours remaining, 208.382812 MB of memory in use. ENERGY: 4145000 742.8364 2087.0460 1954.2877 121.3172 -206305.5782 17870.3937 0.0000 0.0000 34349.5570 -149180.1402 299.9832 -183529.6972 -149084.8996 299.2975 33.6466 68.1835 557054.1457 -9.4138 -9.5317 PRESSURE: 4145200 264.076 -23.4811 -153.063 -23.4799 109.305 -1.67983 -153.065 -1.67974 -307.361 GPRESSURE: 4145200 272.268 -112.173 -112.088 -3.04596 119.568 24.738 -177.041 -42.316 -238.222 PRESSAVG: 4145200 46.0499 2.28944 6.47995 2.28941 42.1572 31.9182 6.47995 31.9182 -35.6252 GPRESSAVG: 4145200 46.2698 1.86721 5.72566 2.21277 43.2319 29.2384 7.59825 33.7664 -37.3333 TIMING: 4145200 CPU: 12319.6, 0.00294405/step Wall: 12319.6, 0.00294405/step, 0.699047 hours remaining, 208.382812 MB of memory in use. ENERGY: 4145200 741.6753 2046.4224 1923.6767 114.9512 -206023.9832 17788.9814 0.0000 0.0000 34376.2148 -149032.0614 300.2160 -183408.2761 -148927.6148 300.2176 22.0066 51.2048 557369.8669 17.5273 17.3895 PRESSURE: 4145400 -132.474 68.9193 61.4918 68.9175 -33.7573 4.66255 61.4925 4.66478 148.328 GPRESSURE: 4145400 -105.002 86.7206 17.616 113.195 -10.0614 6.83927 69.636 36.0371 185.021 PRESSAVG: 4145400 87.722 -0.756331 27.8632 -0.756462 -8.10956 -30.8273 27.8633 -30.8272 -88.3649 GPRESSAVG: 4145400 88.2172 -2.51018 26.922 -1.23442 -8.47053 -29.8877 28.9976 -30.1895 -87.737 TIMING: 4145400 CPU: 12320.2, 0.00297541/step Wall: 12320.2, 0.00297541/step, 0.70633 hours remaining, 208.382812 MB of memory in use. ENERGY: 4145400 793.1952 2104.6367 1923.9283 108.5379 -206446.6880 17783.6567 0.0000 0.0000 34447.5113 -149285.2219 300.8387 -183732.7332 -149193.0334 299.2315 -5.9677 23.3192 556245.1473 -2.9175 -2.6634 PRESSURE: 4145600 -214.689 10.7703 -23.1442 10.7701 230.031 32.1198 -23.1436 32.1192 247.511 GPRESSURE: 4145600 -178.743 45.2623 -33.4395 -43.0225 281.301 97.3222 -54.9362 -21.417 245.186 PRESSAVG: 4145600 -45.2236 -47.4296 -7.28683 -47.4296 23.0969 69.3898 -7.28678 69.3899 47.758 GPRESSAVG: 4145600 -45.0354 -43.8518 -5.84374 -49.438 22.635 70.7056 -8.26252 68.195 48.0181 TIMING: 4145600 CPU: 12320.8, 0.00295516/step Wall: 12320.8, 0.00295516/step, 0.701358 hours remaining, 208.382812 MB of memory in use. ENERGY: 4145600 772.9359 2051.2599 1920.8279 102.2466 -206368.6566 17922.1572 0.0000 0.0000 34339.2198 -149260.0093 299.8929 -183599.2291 -149172.7975 298.6631 87.6177 115.9149 555358.6878 8.5438 8.5392 PRESSURE: 4145800 -36.9399 156.054 -102.806 156.054 -139.511 12.6875 -102.803 12.6863 -146.483 GPRESSURE: 4145800 8.64719 239.336 -65.0738 69.1085 -127.978 -36.4 22.3384 33.0734 -109.264 PRESSAVG: 4145800 -72.4549 1.32061 15.3121 1.32068 52.4823 36.9527 15.3122 36.9527 -1.63945 GPRESSAVG: 4145800 -72.9476 0.188218 13.3832 0.37434 53.1831 36.5724 18.4038 36.2176 -2.47655 TIMING: 4145800 CPU: 12321.4, 0.00293562/step Wall: 12321.4, 0.00293562/step, 0.696557 hours remaining, 208.382812 MB of memory in use. ENERGY: 4145800 770.4518 2034.8789 1942.7255 112.0324 -205952.8906 17652.2776 0.0000 0.0000 34131.6352 -149308.8892 298.0801 -183440.5244 -149214.5680 298.7237 -107.6446 -76.1981 556508.0774 -7.2040 -7.4137 PRESSURE: 4146000 123.459 104.462 96.9524 104.462 -4.4467 -18.077 96.9524 -18.0777 53.3449 GPRESSURE: 4146000 162.953 67.4014 128.966 119.953 9.64712 -93.1497 78.0574 -45.9393 82.8947 PRESSAVG: 4146000 -35.4556 49.6486 -25.5628 49.6485 17.8399 12.3656 -25.5628 12.3656 0.239413 GPRESSAVG: 4146000 -35.7403 51.012 -22.928 50.0532 16.9915 13.1726 -28.4676 13.0252 1.38383 TIMING: 4146000 CPU: 12322, 0.00293693/step Wall: 12322, 0.00293693/step, 0.696704 hours remaining, 208.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4146000 756.2205 2107.0300 1919.7007 105.9749 -206325.6638 17922.6754 0.0000 0.0000 34517.2721 -148996.7901 301.4479 -183514.0623 -148899.6835 299.8807 57.4524 85.1649 557675.0577 -5.7921 -5.7883 PRESSURE: 4146200 135.898 -8.49115 -32.7249 -8.49094 54.7351 -92.3583 -32.726 -92.3594 146.559 GPRESSURE: 4146200 180.06 22.4434 -123.549 -28.4455 74.0249 -66.1479 -33.5377 -84.5431 170.153 PRESSAVG: 4146200 -16.9685 55.1853 44.0971 55.1854 31.5546 -75.5627 44.0972 -75.5627 -10.5593 GPRESSAVG: 4146200 -16.0642 55.1742 42.6008 56.169 30.9293 -77.6668 44.6752 -75.0503 -10.8892 TIMING: 4146200 CPU: 12322.6, 0.00295055/step Wall: 12322.6, 0.00295055/step, 0.699771 hours remaining, 208.382812 MB of memory in use. ENERGY: 4146200 748.8884 2107.8381 1954.2725 118.9179 -206105.8899 17848.7137 0.0000 0.0000 34385.7155 -148941.5437 300.2990 -183327.2592 -148837.2965 300.1740 112.3973 141.4127 558360.3607 1.3423 1.3253 PRESSURE: 4146400 -140.74 -22.3057 6.33521 -22.3045 -155.769 -123.01 6.33569 -123.01 93.8862 GPRESSURE: 4146400 -45.7483 15.9843 131.557 -146.334 -104.12 -140.686 -33.7813 -98.2188 44.9042 PRESSAVG: 4146400 -13.2184 17.1387 -26.1846 17.1388 35.7116 -30.3903 -26.1846 -30.3904 0.937116 GPRESSAVG: 4146400 -13.3755 15.831 -26.4487 16.7058 35.7873 -29.2882 -25.1222 -31.1624 0.728695 TIMING: 4146400 CPU: 12323.2, 0.00294929/step Wall: 12323.2, 0.00294929/step, 0.699309 hours remaining, 208.382812 MB of memory in use. ENERGY: 4146400 751.7514 2083.6156 1951.8768 107.2060 -205805.0213 17662.9497 0.0000 0.0000 34357.5530 -148890.0686 300.0531 -183247.6217 -148794.3238 300.3054 -67.5410 -34.9879 559531.9113 7.8101 7.7135 PRESSURE: 4146600 -68.2411 -175.316 -17.7802 -175.315 31.1513 -8.2455 -17.7785 -8.2448 92.762 GPRESSURE: 4146600 -27.7591 -109.036 39.9354 -220.886 39.8284 56.7643 -30.2361 -16.6039 145.918 PRESSAVG: 4146600 -70.3877 -52.1501 50.4998 -52.1501 -23.691 49.8178 50.4998 49.8178 33.3381 GPRESSAVG: 4146600 -71.6911 -50.244 51.1569 -52.2554 -21.657 51.0551 49.5449 48.8919 32.6886 TIMING: 4146600 CPU: 12323.8, 0.00297845/step Wall: 12323.8, 0.00297846/step, 0.706059 hours remaining, 208.382812 MB of memory in use. ENERGY: 4146600 805.0638 2095.5107 1945.6830 125.9135 -205908.2464 17921.0750 0.0000 0.0000 34334.7424 -148680.2581 299.8538 -183015.0005 -148578.3558 300.4477 18.5574 52.6626 559494.4328 -20.2469 -20.2198 PRESSURE: 4146800 -114.759 -266.844 -62.7933 -266.844 54.2957 -39.4786 -62.7935 -39.4773 -82.7668 GPRESSURE: 4146800 -74.0804 -254.661 -52.2194 -288.039 92.3218 -40.775 22.1659 15.3601 -73.4444 PRESSAVG: 4146800 -13.1708 -40.4467 31.7333 -40.4467 -15.7438 34.2617 31.7333 34.2616 32.7807 GPRESSAVG: 4146800 -12.0202 -41.7344 33.2043 -40.1756 -17.0526 33.9347 31.3678 35.353 33.0838 TIMING: 4146800 CPU: 12324.4, 0.00299326/step Wall: 12324.4, 0.00299326/step, 0.709403 hours remaining, 208.382812 MB of memory in use. ENERGY: 4146800 767.2100 2074.8471 1927.5613 104.9957 -205637.6342 17627.9460 0.0000 0.0000 34451.2470 -148683.8272 300.8713 -183135.0742 -148588.6198 300.3628 -47.7433 -18.4010 558136.1604 1.2887 1.3370 PRESSURE: 4147000 -101.811 113.633 37.9399 113.633 -292.358 61.8978 37.9412 61.8975 53.9525 GPRESSURE: 4147000 -99.9113 168.328 59.3028 28.9811 -238.644 94.6815 59.931 125.928 94.5771 PRESSAVG: 4147000 -25.932 -36.2237 42.4976 -36.2238 13.3888 -29.5599 42.4977 -29.5597 1.29285 GPRESSAVG: 4147000 -26.6192 -35.7156 40.2039 -38.1336 13.472 -31.0049 43.615 -29.0104 1.74173 TIMING: 4147000 CPU: 12325, 0.00295934/step Wall: 12325, 0.00295934/step, 0.701198 hours remaining, 208.382812 MB of memory in use. ENERGY: 4147000 769.0611 2019.5191 1943.9260 124.1235 -205576.3474 17542.6767 0.0000 0.0000 34465.0334 -148712.0076 300.9917 -183177.0411 -148609.2149 300.8273 -113.4057 -81.3262 557564.3946 -3.7501 -3.8019 PRESSURE: 4147200 -295.282 -50.5726 180.944 -50.573 -114.507 8.90357 180.945 8.90283 -311.251 GPRESSURE: 4147200 -242.844 -52.1593 85.178 -20.6946 -97.696 47.8572 229.047 -13.4201 -284.304 PRESSAVG: 4147200 10.3653 -23.5339 104.227 -23.5339 -17.0261 10.8897 104.227 10.8896 -17.1132 GPRESSAVG: 4147200 11.5247 -23.2551 106.562 -23.6391 -17.2406 13.319 103.136 10.9841 -17.8144 TIMING: 4147200 CPU: 12325.6, 0.00299021/step Wall: 12325.6, 0.00299021/step, 0.708348 hours remaining, 208.382812 MB of memory in use. ENERGY: 4147200 775.5718 2061.2056 1978.1555 121.5664 -205579.5406 17388.4449 0.0000 0.0000 34546.5878 -148708.0085 301.7039 -183254.5963 -148613.9904 301.0382 -240.3466 -208.2811 559624.5408 -7.9246 -7.8434 PRESSURE: 4147400 -189.116 191.27 230.162 191.27 -186.293 -15.9713 230.163 -15.9708 169.683 GPRESSURE: 4147400 -128.453 177.546 256.429 273.053 -180.46 105.206 152.696 -127.649 205.814 PRESSAVG: 4147400 -6.38316 2.77571 -19.5083 2.77573 -44.1059 2.1822 -19.5083 2.18215 27.1054 GPRESSAVG: 4147400 -8.35114 1.97068 -19.2278 4.54789 -43.5901 1.01821 -18.8983 2.50127 28.3815 TIMING: 4147400 CPU: 12326.2, 0.00298045/step Wall: 12326.2, 0.00298045/step, 0.70587 hours remaining, 208.382812 MB of memory in use. ENERGY: 4147400 771.5360 2079.4621 1951.1320 108.3535 -206077.9461 17814.1126 0.0000 0.0000 34447.3284 -148906.0216 300.8371 -183353.3500 -148802.2773 300.1702 -68.5754 -34.3664 558607.1825 -7.7946 -7.8532 PRESSURE: 4147600 29.9802 20.6593 -50.8755 20.6592 -180.344 29.0854 -50.8753 29.0854 149.494 GPRESSURE: 4147600 4.4052 42.0003 33.5668 35.7841 -139.105 15.9432 -113.423 50.3086 232.022 PRESSAVG: 4147600 -49.5005 -19.8256 -12.566 -19.8256 -72.8822 20.0567 -12.566 20.0566 121.832 GPRESSAVG: 4147600 -48.171 -18.3857 -13.0991 -19.923 -74.1071 20.9276 -12.9222 18.7494 121.757 TIMING: 4147600 CPU: 12326.7, 0.00296223/step Wall: 12326.7, 0.00296223/step, 0.70139 hours remaining, 208.382812 MB of memory in use. ENERGY: 4147600 742.3125 2095.1814 1969.0781 116.5842 -205857.7661 17787.4850 0.0000 0.0000 34311.9752 -148835.1496 299.6550 -183147.1249 -148736.8818 299.8774 -0.2899 32.4405 558339.7769 -0.1835 -0.1737 PRESSURE: 4147800 -200.555 45.5297 -37.8334 45.53 -61.848 13.1677 -37.8333 13.1681 159.565 GPRESSURE: 4147800 -163.201 59.1769 -44.7868 94.0968 -31.908 44.7888 -79.8669 -14.6319 178.26 PRESSAVG: 4147800 -3.09956 15.8685 -26.3068 15.8685 19.3716 9.14517 -26.3069 9.14521 2.49881 GPRESSAVG: 4147800 -3.50645 14.9262 -28.4379 15.9108 20.9959 9.11702 -25.4225 9.95561 1.55115 TIMING: 4147800 CPU: 12327.3, 0.00296752/step Wall: 12327.3, 0.00296752/step, 0.702477 hours remaining, 208.382812 MB of memory in use. ENERGY: 4147800 750.9961 2084.2767 1942.0644 111.1536 -206172.9329 17842.7992 0.0000 0.0000 34479.9404 -148961.7025 301.1219 -183441.6429 -148860.4999 300.4735 -34.2794 -5.6162 558288.7142 6.2569 6.3469 PRESSURE: 4148000 109.292 51.1881 71.8509 51.1885 76.219 19.7693 71.8502 19.7689 -74.7049 GPRESSURE: 4148000 146.334 -12.1795 37.1954 96.0976 119.829 -48.0945 52.029 -16.5939 -61.198 PRESSAVG: 4148000 21.7352 25.9254 -0.868325 25.9255 6.93678 18.3043 -0.868214 18.3042 -42.6295 GPRESSAVG: 4148000 23.1935 25.2344 -0.840879 25.8788 4.27146 16.7217 -1.33173 18.7494 -41.292 TIMING: 4148000 CPU: 12327.9, 0.00292869/step Wall: 12327.9, 0.00292869/step, 0.693123 hours remaining, 208.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4148000 732.6453 2060.6517 1977.6724 103.8293 -205887.9039 17719.1631 0.0000 0.0000 34206.5823 -149087.3599 298.7346 -183293.9422 -148995.0621 299.5783 36.9353 68.3218 556465.0885 -4.6525 -4.6090 PRESSURE: 4148200 -85.3738 160.683 169.213 160.683 227.755 -43.2664 169.214 -43.266 139.266 GPRESSURE: 4148200 -83.8313 180.112 135.415 180.215 327.785 -64.2443 155.612 58.9334 144.269 PRESSAVG: 4148200 29.2841 9.68228 -20.3001 9.6822 41.8334 39.8124 -20.3001 39.8125 -30.7536 GPRESSAVG: 4148200 27.912 10.7579 -19.5594 8.23978 42.7241 40.2748 -19.3244 39.8968 -30.6475 TIMING: 4148200 CPU: 12328.5, 0.00292927/step Wall: 12328.5, 0.00292927/step, 0.693097 hours remaining, 208.382812 MB of memory in use. ENERGY: 4148200 749.9178 1996.2731 1942.0150 122.3169 -206080.5222 17871.8672 0.0000 0.0000 34364.5747 -149033.5574 300.1144 -183398.1321 -148944.2160 299.2612 93.8823 129.4074 557034.3946 13.4546 13.3295 LDB: ============= START OF LOAD BALANCING ============== 12332.1 LDB: ============== END OF LOAD BALANCING =============== 12332.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12332.1 LDB: ============= START OF LOAD BALANCING ============== 12332.4 LDB: Largest compute 4809 load 0.022238 is 18.8% of average load 0.118206 LDB: Average compute 0.001740 is 1.5% of average load 0.118206 LDB: TIME 12332.4 LOAD: AVG 0.118206 MAX 0.196158 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.598 MB LDB: TIME 12332.4 LOAD: AVG 0.118206 MAX 0.196158 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.602 MB LDB: TIME 12332.4 LOAD: AVG 0.118206 MAX 0.196158 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.602 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12332.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12332.4 PRESSURE: 4148400 -182.371 98.955 25.4168 98.9558 -106.826 32.3034 25.416 32.3031 411.464 GPRESSURE: 4148400 -73.885 52.338 25.908 105.989 -87.9869 20.816 26.2874 66.8007 377.572 PRESSAVG: 4148400 30.3427 8.07362 -7.19651 8.07372 55.6033 24.6302 -7.19647 24.6302 -41.1934 GPRESSAVG: 4148400 30.9167 7.2511 -6.32584 11.0577 56.6987 24.1612 -8.81941 23.2843 -43.2431 TIMING: 4148400 CPU: 12329.1, 0.00298803/step Wall: 12329.1, 0.00298803/step, 0.706834 hours remaining, 208.656250 MB of memory in use. ENERGY: 4148400 692.2659 2059.7965 1951.4849 102.2963 -205771.4052 17651.7569 0.0000 0.0000 34370.7384 -148943.0663 300.1682 -183313.8048 -148845.2834 300.1065 40.7555 71.9000 557600.5816 14.9175 14.7908 PRESSURE: 4148600 -35.2912 36.9022 130.714 36.9023 -143.25 -79.0702 130.714 -79.0693 -341.649 GPRESSURE: 4148600 -16.0413 -23.8421 124.943 29.3054 -132.317 -58.0734 133.659 -73.6332 -281.148 PRESSAVG: 4148600 51.7925 -40.4655 2.9024 -40.4656 -23.7858 -35.9786 2.9023 -35.9787 -21.6392 GPRESSAVG: 4148600 51.0942 -38.8886 1.41821 -41.5078 -24.3262 -35.1937 4.49469 -34.4495 -20.01 TIMING: 4148600 CPU: 12329.7, 0.00296005/step Wall: 12329.7, 0.00296005/step, 0.700051 hours remaining, 208.656250 MB of memory in use. ENERGY: 4148600 714.5470 2073.0047 1957.3437 110.4432 -205504.5024 17387.2585 0.0000 0.0000 34311.9721 -148949.9332 299.6550 -183261.9053 -148849.4650 299.0596 -173.3966 -143.1688 559751.9104 2.1225 2.2527 PRESSURE: 4148800 -5.61718 92.6237 76.7638 92.6238 -136.094 -65.4194 76.7641 -65.4195 -158.428 GPRESSURE: 4148800 -28.1797 118.259 7.50206 82.6632 -84.4557 31.633 58.0232 -137.001 -98.2243 PRESSAVG: 4148800 49.6164 10.0278 1.48412 10.0279 26.0787 -28.7274 1.48416 -28.7273 -46.4232 GPRESSAVG: 4148800 49.2569 8.19457 2.78571 12.3457 27.7758 -28.9032 -1.05132 -29.4082 -47.7799 TIMING: 4148800 CPU: 12330.3, 0.00294674/step Wall: 12330.3, 0.00294674/step, 0.696741 hours remaining, 208.656250 MB of memory in use. ENERGY: 4148800 717.5322 2111.4417 1940.7137 119.8513 -205802.7895 17542.7523 0.0000 0.0000 34472.7979 -148897.7003 301.0595 -183370.4982 -148798.7166 300.1754 -100.0464 -70.2866 558739.5219 9.7573 9.7509 PRESSURE: 4149000 -256.091 -31.0317 -38.4256 -31.031 -165.168 -117.223 -38.425 -117.221 -26.9995 GPRESSURE: 4149000 -206.774 62.8471 -12.6722 2.92352 -107.111 -124.104 -73.2201 -113.49 -30.9096 PRESSAVG: 4149000 -37.5953 2.0021 7.21004 2.00208 -20.6526 -32.1617 7.20998 -32.1617 45.0312 GPRESSAVG: 4149000 -37.4238 2.21525 5.62782 1.24383 -21.3366 -33.2007 8.94031 -31.2406 45.4205 TIMING: 4149000 CPU: 12330.9, 0.00291529/step Wall: 12330.9, 0.00291529/step, 0.689143 hours remaining, 208.656250 MB of memory in use. ENERGY: 4149000 725.4372 2049.6143 1926.5830 110.0430 -205951.8288 17727.9183 0.0000 0.0000 34549.4620 -148862.7711 301.7290 -183412.2330 -148762.8583 300.6344 -149.4196 -114.9316 560562.0088 -4.4055 -4.4466 PRESSURE: 4149200 -320.905 -127.766 -47.895 -127.766 9.37353 -18.3688 -47.8952 -18.3675 -267.613 GPRESSURE: 4149200 -323.78 -71.8069 -65.6382 -193.941 71.4959 -11.6775 -45.5639 51.1217 -221.445 PRESSAVG: 4149200 16.9343 -59.6041 17.4381 -59.604 -35.96 0.17725 17.438 0.17722 7.90474 GPRESSAVG: 4149200 17.4595 -58.4169 18.0884 -62.5921 -34.9925 -0.338478 17.3116 0.120461 7.53173 TIMING: 4149200 CPU: 12331.5, 0.00291492/step Wall: 12331.5, 0.00291492/step, 0.688893 hours remaining, 208.656250 MB of memory in use. ENERGY: 4149200 760.0827 2084.8444 1912.7200 109.2464 -205727.3549 17519.8221 0.0000 0.0000 34436.3427 -148904.2965 300.7411 -183340.6392 -148806.3612 300.2747 -193.0481 -157.9096 558783.1289 -3.7070 -3.3338 PRESSURE: 4149400 97.4401 63.8643 -12.8877 63.8646 -343.249 -110.729 -12.887 -110.728 -111.712 GPRESSURE: 4149400 115.961 93.2116 75.0888 32.7762 -338.721 -87.276 -100.791 -118.368 -29.1702 PRESSAVG: 4149400 45.498 5.45441 48.7245 5.45445 -36.9054 -33.7327 48.7246 -33.7326 15.7998 GPRESSAVG: 4149400 44.2451 7.08346 48.9033 6.60227 -38.2815 -32.9163 47.6295 -33.6426 18.3958 TIMING: 4149400 CPU: 12332, 0.00291062/step Wall: 12332, 0.00291062/step, 0.687715 hours remaining, 208.656250 MB of memory in use. ENERGY: 4149400 728.3157 2098.4447 1954.1511 114.9917 -205722.7631 17562.5244 0.0000 0.0000 34207.0398 -149057.2958 298.7386 -183264.3355 -148958.3692 299.7071 -119.1737 -83.9767 557162.7170 8.1308 8.1198 PRESSURE: 4149600 -276.327 193.443 95.4897 193.443 -66.4577 13.3875 95.4894 13.387 206.289 GPRESSURE: 4149600 -269.85 144.759 70.7617 265.747 2.55417 -51.4171 145.223 48.2711 225.383 PRESSAVG: 4149600 30.3947 8.30775 33.8275 8.30769 19.2427 -7.71238 33.8275 -7.71244 -53.442 GPRESSAVG: 4149600 31.9681 6.8546 34.3465 9.26665 19.2326 -8.85931 34.9602 -9.03637 -54.7302 TIMING: 4149600 CPU: 12332.6, 0.0029365/step Wall: 12332.6, 0.0029365/step, 0.693667 hours remaining, 208.656250 MB of memory in use. ENERGY: 4149600 741.7465 2024.3181 1935.3618 122.4590 -205818.5720 17712.8309 0.0000 0.0000 34236.7728 -149045.0830 298.9983 -183281.8558 -148948.6390 299.9296 -45.4985 -13.9708 557898.1505 -1.2682 -1.1765 PRESSURE: 4149800 237.696 75.1394 82.7801 75.1396 -260.784 -166.044 82.7793 -166.043 -117.535 GPRESSURE: 4149800 252.173 76.5661 136.706 71.7868 -204.058 -199.213 68.0253 -129.722 -80.4855 PRESSAVG: 4149800 28.2528 54.0078 -22.2018 54.0077 16.9898 -17.793 -22.2018 -17.793 -7.87236 GPRESSAVG: 4149800 26.4589 52.1592 -23.9142 54.1672 17.7693 -18.8137 -21.3463 -16.8252 -6.78354 TIMING: 4149800 CPU: 12333.2, 0.00292955/step Wall: 12333.2, 0.00292955/step, 0.691861 hours remaining, 208.656250 MB of memory in use. ENERGY: 4149800 706.8335 2026.9048 1946.5720 112.9678 -205790.5235 17639.6613 0.0000 0.0000 34317.3613 -149040.2227 299.7021 -183357.5840 -148948.0783 300.0540 -46.8741 -10.7900 557277.8259 12.4567 12.4815 PRESSURE: 4150000 63.697 104.095 19.8385 104.093 7.88969 -60.8396 19.8384 -60.8392 -27.4656 GPRESSURE: 4150000 138.601 96.5451 -6.90664 63.0149 -0.655735 -142.303 15.609 -52.6966 12.7854 PRESSAVG: 4150000 130.774 16.1539 6.87785 16.1539 -68.7192 -38.8626 6.87785 -38.8627 -70.0165 GPRESSAVG: 4150000 132.769 15.905 4.40322 15.9072 -70.3644 -38.7559 7.3317 -38.9432 -70.763 TIMING: 4150000 CPU: 12333.8, 0.00293944/step Wall: 12333.8, 0.00293944/step, 0.694034 hours remaining, 208.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4150000 726.6407 2072.9613 1923.5992 105.8662 -205989.4421 17860.0086 0.0000 0.0000 34511.0536 -148789.3125 301.3936 -183300.3661 -148688.2318 299.6978 14.7070 50.2436 558523.7948 -2.6538 -2.7862 PRESSURE: 4150200 -110.842 143.387 81.1833 143.387 -101.218 -19.6587 81.184 -19.6591 -35.8847 GPRESSURE: 4150200 -55.9472 136.99 -10.2945 124.298 -70.0056 -28.1834 98.5828 2.78629 -30.2385 PRESSAVG: 4150200 2.4612 69.6719 33.1733 69.672 -16.7702 9.48765 33.1733 9.48762 14.7304 GPRESSAVG: 4150200 2.62331 71.0788 35.6759 69.0387 -15.6716 10.6246 34.112 7.28023 13.6702 TIMING: 4150200 CPU: 12334.4, 0.00294826/step Wall: 12334.4, 0.00294826/step, 0.695953 hours remaining, 208.656250 MB of memory in use. ENERGY: 4150200 718.8711 2029.3873 1964.7131 117.4777 -205561.0548 17618.9731 0.0000 0.0000 34370.7322 -148740.9003 300.1682 -183111.6325 -148649.1912 299.8962 -82.6483 -52.0638 559268.1698 0.1405 0.2073 PRESSURE: 4150400 -140.087 -76.4626 -61.5792 -76.463 46.4371 101.922 -61.5798 101.923 285.866 GPRESSURE: 4150400 -82.8475 -86.4891 -56.6817 -67.12 60.2144 91.3787 -46.1365 55.9089 308.826 PRESSAVG: 4150400 17.7851 18.209 -62.4648 18.209 80.983 16.1081 -62.4648 16.1081 -92.053 GPRESSAVG: 4150400 17.1214 17.5702 -63.7865 19.8254 80.5429 18.9961 -64.1952 17.4484 -90.6805 TIMING: 4150400 CPU: 12335, 0.00296821/step Wall: 12335, 0.00296821/step, 0.700498 hours remaining, 208.656250 MB of memory in use. ENERGY: 4150400 779.9189 2026.2726 1948.0303 97.1053 -205922.2828 17916.6181 0.0000 0.0000 34332.2673 -148822.0703 299.8322 -183154.3376 -148723.9062 299.5609 64.0720 95.3977 559199.8505 2.2384 2.3279 PRESSURE: 4150600 -41.3367 -74.9826 9.84109 -74.9835 86.315 -15.0233 9.84107 -15.0223 -261.181 GPRESSURE: 4150600 -17.001 -118.637 16.4141 -141.575 115.376 -60.9344 58.5574 45.3588 -210.658 PRESSAVG: 4150600 59.5185 -23.9917 -34.7867 -23.9917 7.44276 0.60314 -34.7868 0.603189 -9.98255 GPRESSAVG: 4150600 59.6307 -22.883 -33.5276 -24.2577 7.75412 -2.10358 -35.1227 0.93873 -11.1108 TIMING: 4150600 CPU: 12335.6, 0.00294775/step Wall: 12335.6, 0.00294775/step, 0.695504 hours remaining, 208.656250 MB of memory in use. ENERGY: 4150600 765.0651 2085.8441 1955.2652 124.4668 -205812.3116 17706.6446 0.0000 0.0000 34370.1350 -148804.8907 300.1629 -183175.0258 -148705.6065 300.1404 -72.0676 -37.4277 559291.5012 18.9929 18.7580 PRESSURE: 4150800 -87.0721 45.2136 103.935 45.2129 -143.924 -62.7562 103.936 -62.7561 -125.814 GPRESSURE: 4150800 -67.6181 69.8387 96.2777 62.5006 -119.446 23.6425 62.6877 -9.64205 -66.2601 PRESSAVG: 4150800 -19.6499 -30.9733 1.5482 -30.9733 18.3564 51.429 1.54826 51.429 18.0585 GPRESSAVG: 4150800 -19.7885 -31.1753 1.80497 -33.1006 18.1833 52.9845 0.201548 51.5715 19.2844 TIMING: 4150800 CPU: 12336.2, 0.00291756/step Wall: 12336.2, 0.00291756/step, 0.688221 hours remaining, 208.656250 MB of memory in use. ENERGY: 4150800 724.5477 2133.3950 1941.6347 115.7632 -205642.6287 17634.5715 0.0000 0.0000 34392.8290 -148699.8875 300.3611 -183092.7165 -148604.9853 300.4978 -118.9367 -84.4413 558533.4326 5.5883 5.8931 PRESSURE: 4151000 -34.6837 -75.6611 33.8177 -75.66 -214.104 -47.276 33.8177 -47.2764 -242.822 GPRESSURE: 4151000 48.4705 -132.556 78.6661 -111.3 -191.766 -35.0134 99.2406 -27.3846 -253.025 PRESSAVG: 4151000 -23.7105 -3.45086 -6.86589 -3.45072 63.1616 37.0778 -6.86598 37.0778 -48.0711 GPRESSAVG: 4151000 -22.8826 -2.87961 -6.80298 -3.32079 62.4007 35.2879 -6.5289 36.8053 -48.6384 TIMING: 4151000 CPU: 12336.7, 0.00289686/step Wall: 12336.7, 0.00289686/step, 0.683175 hours remaining, 208.656250 MB of memory in use. ENERGY: 4151000 746.4975 2078.3147 1958.3734 122.8726 -205517.2139 17448.5242 0.0000 0.0000 34371.6162 -148791.0153 300.1759 -183162.6315 -148687.8491 300.3804 -163.8699 -132.1070 559889.1649 -2.8734 -3.0401 PRESSURE: 4151200 422.703 119.466 92.1164 119.466 215.174 70.044 92.1165 70.0437 -37.682 GPRESSURE: 4151200 434.193 120.223 135.992 24.2569 210.876 -6.68855 56.2944 31.627 59.9032 PRESSAVG: 4151200 40.6736 5.03089 -9.19133 5.03083 7.46325 62.436 -9.19129 62.436 -20.5663 GPRESSAVG: 4151200 38.7393 3.79738 -8.5987 5.34297 9.14999 62.9201 -9.06382 61.9843 -20.1957 TIMING: 4151200 CPU: 12337.3, 0.00292989/step Wall: 12337.3, 0.00292989/step, 0.690802 hours remaining, 208.656250 MB of memory in use. ENERGY: 4151200 768.2552 2159.5330 1937.2141 113.2572 -206200.7576 18027.2810 0.0000 0.0000 34292.6807 -148902.5364 299.4865 -183195.2171 -148809.5987 300.3262 200.0650 234.9909 557923.6877 9.1902 9.2312 PRESSURE: 4151400 -123.954 -0.670723 -132.443 -0.672258 -20.4175 65.3158 -132.443 65.3165 71.689 GPRESSURE: 4151400 -88.5919 58.3575 -105.597 -38.8052 -24.007 39.7229 -231.28 122.424 128.958 PRESSAVG: 4151400 38.4607 8.72738 -8.70758 8.7273 -42.6286 -4.05092 -8.70756 -4.05091 -24.1501 GPRESSAVG: 4151400 40.4334 10.6984 -9.69387 8.89475 -43.6628 -3.3904 -8.15508 -3.96831 -24.9801 TIMING: 4151400 CPU: 12337.9, 0.00293105/step Wall: 12337.9, 0.00293105/step, 0.690913 hours remaining, 208.656250 MB of memory in use. ENERGY: 4151400 748.7826 2113.2147 1946.7845 124.2099 -206241.8759 17953.3688 0.0000 0.0000 34341.8212 -149013.6941 299.9157 -183355.5154 -148926.0827 299.7242 -24.2275 5.4529 558634.0985 -9.4393 -9.4032 PRESSURE: 4151600 48.6158 150.063 -99.0537 150.062 309.088 24.9602 -99.0537 24.961 203.699 GPRESSURE: 4151600 139.45 194.441 -44.6745 169.955 285.376 -18.5025 -104.837 53.2038 238.025 PRESSAVG: 4151600 -3.97364 56.8635 -6.76109 56.8634 16.6426 19.4064 -6.76102 19.4066 -17.1966 GPRESSAVG: 4151600 -4.88312 55.527 -8.52252 58.3669 16.475 18.3386 -6.33504 17.8847 -16.5009 TIMING: 4151600 CPU: 12338.5, 0.00293069/step Wall: 12338.5, 0.00293069/step, 0.690667 hours remaining, 208.656250 MB of memory in use. ENERGY: 4151600 750.7573 2085.6121 1952.0464 112.9157 -206460.9945 18178.4789 0.0000 0.0000 34243.7731 -149137.4111 299.0594 -183381.1842 -149040.3308 299.7501 187.1343 220.9504 559611.6129 -1.5092 -1.6364 PRESSURE: 4151800 -8.3967 39.9272 184.449 39.9268 221.672 -10.1167 184.449 -10.1178 -103.098 GPRESSURE: 4151800 43.4256 77.852 244.703 26.7423 267.603 -3.70269 29.5863 20.2864 -99.265 PRESSAVG: 4151800 14.7708 4.38977 -25.8178 4.38975 -3.66854 -42.3417 -25.8177 -42.3416 -3.45633 GPRESSAVG: 4151800 15.2641 3.29283 -24.1658 3.82013 -3.79334 -43.2222 -26.5687 -41.0004 -3.96463 TIMING: 4151800 CPU: 12339.1, 0.00293138/step Wall: 12339.1, 0.00293138/step, 0.690665 hours remaining, 208.656250 MB of memory in use. ENERGY: 4151800 752.3743 2090.8404 1959.2524 121.1445 -206576.3747 18090.2393 0.0000 0.0000 34414.5409 -149147.9831 300.5507 -183562.5239 -149058.4668 299.6282 36.7257 70.5880 558424.0904 2.5486 2.5021 PRESSURE: 4152000 -25.9922 57.6017 -58.9901 57.6016 -182.376 64.0926 -58.9897 64.0931 13.6006 GPRESSURE: 4152000 10.992 -55.4088 -119.092 79.684 -118.647 22.7666 -33.4462 68.8232 19.7569 PRESSAVG: 4152000 -7.18362 -37.1306 -33.8998 -37.1306 -16.3272 -21.0421 -33.8998 -21.0421 0.827171 GPRESSAVG: 4152000 -8.00186 -35.7283 -33.7327 -37.7483 -16.6434 -20.1585 -33.68 -21.7755 2.43633 TIMING: 4152000 CPU: 12339.7, 0.00291997/step Wall: 12339.7, 0.00291997/step, 0.687814 hours remaining, 208.656250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4152000 779.3421 2096.6031 1941.7545 114.2065 -205990.8698 17790.5571 0.0000 0.0000 34189.1204 -149079.2860 298.5821 -183268.4065 -148986.3352 299.6046 -64.9226 -29.2995 557452.0482 -7.5612 -7.4030 PRESSURE: 4152200 65.8436 -71.9304 11.6815 -71.9306 -103.036 -38.669 11.6815 -38.6695 129.444 GPRESSURE: 4152200 136.03 -3.86033 7.18429 -91.5703 -101.563 79.2057 41.6812 -61.5325 159.283 PRESSAVG: 4152200 75.5596 -82.3382 29.0228 -82.3382 -21.2973 -10.5336 29.0226 -10.5336 -4.22173 GPRESSAVG: 4152200 75.2041 -81.3168 28.8356 -83.8211 -20.1722 -9.02994 29.2985 -8.48722 -4.9048 TIMING: 4152200 CPU: 12340.3, 0.00293478/step Wall: 12340.3, 0.00293478/step, 0.69114 hours remaining, 208.656250 MB of memory in use. ENERGY: 4152200 799.4446 2170.3146 1919.4796 120.5311 -206310.0091 17809.0305 0.0000 0.0000 34320.3442 -149170.8645 299.7281 -183491.2087 -149073.7735 299.9355 30.7505 64.5833 556393.9082 16.6802 16.7090 LDB: ============= START OF LOAD BALANCING ============== 12343.8 LDB: ============== END OF LOAD BALANCING =============== 12343.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12343.8 LDB: ============= START OF LOAD BALANCING ============== 12344.1 LDB: Largest compute 4809 load 0.022224 is 18.8% of average load 0.118330 LDB: Average compute 0.001730 is 1.5% of average load 0.118330 LDB: TIME 12344.1 LOAD: AVG 0.11833 MAX 0.197831 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.285 MB LDB: TIME 12344.1 LOAD: AVG 0.11833 MAX 0.197831 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.355 MB LDB: TIME 12344.1 LOAD: AVG 0.11833 MAX 0.197831 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.355 MB LDB: ============== END OF LOAD BALANCING =============== 12344.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12344.1 PRESSURE: 4152400 -160.191 -7.91933 52.7464 -7.92057 120.73 34.8957 52.7465 34.8961 38.9648 GPRESSURE: 4152400 -111.732 -25.2512 54.9719 44.3936 145.578 39.1905 112.612 34.224 59.9875 PRESSAVG: 4152400 -15.3726 21.3226 41.1699 21.3227 -16.9668 51.6995 41.1699 51.6995 24.8342 GPRESSAVG: 4152400 -15.0612 19.5255 42.4807 22.8429 -17.9513 50.3911 39.0546 51.457 25.2132 TIMING: 4152400 CPU: 12340.9, 0.00300193/step Wall: 12340.9, 0.00300193/step, 0.706788 hours remaining, 208.023438 MB of memory in use. ENERGY: 4152400 722.3921 2134.5888 1941.1551 121.5687 -206223.8320 17869.0346 0.0000 0.0000 34257.5945 -149177.4983 299.1801 -183435.0928 -149077.4082 299.4360 -0.1653 31.2778 558482.7042 -2.5017 -2.5998 PRESSURE: 4152600 365.196 149.084 94.9682 149.084 130.494 46.3226 94.9675 46.3218 -69.1135 GPRESSURE: 4152600 449.12 171.23 -8.31719 143.992 137.331 -21.6915 109.148 116.853 -49.4065 PRESSAVG: 4152600 19.5069 39.0535 50.6137 39.0535 -65.7247 43.1938 50.6138 43.1938 13.7758 GPRESSAVG: 4152600 19.0565 39.7148 48.1166 39.0115 -65.5922 42.6859 52.1385 41.547 14.332 TIMING: 4152600 CPU: 12341.4, 0.00295595/step Wall: 12341.4, 0.00295595/step, 0.695797 hours remaining, 208.023438 MB of memory in use. ENERGY: 4152600 722.8018 2167.0359 1942.6887 114.5321 -206235.5891 17910.0876 0.0000 0.0000 34209.6616 -149168.7814 298.7615 -183378.4430 -149069.8855 299.5200 142.1921 179.0148 558968.0910 -10.8140 -10.7346 PRESSURE: 4152800 50.4275 63.9949 109.564 63.997 225.688 77.9663 109.564 77.9661 -13.9829 GPRESSURE: 4152800 110.271 94.3265 134.454 51.0658 199.571 138.683 182.678 -13.4712 50.4803 PRESSAVG: 4152800 50.4732 23.4019 53.1383 23.402 14.8154 9.8211 53.1383 9.82105 -32.0949 GPRESSAVG: 4152800 50.5355 21.7873 53.4477 23.2325 14.4557 11.7321 52.8547 9.29623 -31.9292 TIMING: 4152800 CPU: 12342, 0.00296131/step Wall: 12342, 0.00296131/step, 0.696894 hours remaining, 208.023438 MB of memory in use. ENERGY: 4152800 739.8909 2116.2620 1954.2252 104.2335 -206354.8231 17898.4687 0.0000 0.0000 34391.0500 -149150.6928 300.3456 -183541.7428 -149055.0482 299.7479 87.3775 120.1074 558046.9261 11.0645 11.0206 PRESSURE: 4153000 320.234 -1.69579 138.524 -1.69625 182.427 51.3085 138.525 51.3084 141.832 GPRESSURE: 4153000 368.714 -22.4505 109.708 -30.6726 218.761 32.0983 148.474 168.706 156.667 PRESSAVG: 4153000 12.2428 15.6429 -7.37105 15.643 -21.3419 44.3798 -7.37103 44.3798 38.6558 GPRESSAVG: 4153000 12.5085 16.2996 -7.1425 15.4007 -21.7313 44.2433 -6.15101 45.2066 38.4139 TIMING: 4153000 CPU: 12342.6, 0.00293306/step Wall: 12342.6, 0.00293306/step, 0.690084 hours remaining, 208.023438 MB of memory in use. ENERGY: 4153000 704.3514 2153.5598 1950.7506 115.7330 -206390.6108 18328.6160 0.0000 0.0000 34050.1931 -149087.4068 297.3688 -183137.5999 -148993.8826 299.9412 214.8310 248.0472 558929.3757 9.8522 9.7304 PRESSURE: 4153200 -56.2688 51.7767 -106.356 51.7757 112.5 95.918 -106.354 95.9184 -40.6201 GPRESSURE: 4153200 -56.8086 36.0081 -67.9498 124.198 159.563 44.9324 -109.754 133.019 13.1762 PRESSAVG: 4153200 55.3166 -12.4166 -17.6175 -12.4165 19.9038 51.1298 -17.6176 51.13 -41.6706 GPRESSAVG: 4153200 56.3232 -12.0578 -19.4866 -11.1885 19.6525 48.1062 -17.0789 53.0113 -42.0425 TIMING: 4153200 CPU: 12343.2, 0.00294611/step Wall: 12343.2, 0.00294611/step, 0.692991 hours remaining, 208.023438 MB of memory in use. ENERGY: 4153200 755.2768 2171.2991 1963.5825 124.3896 -206016.1583 17722.5162 0.0000 0.0000 34185.8013 -149093.2928 298.5531 -183279.0941 -148997.6619 299.3052 5.2038 38.6436 557529.9130 11.1833 11.3110 PRESSURE: 4153400 -195.142 32.0316 -31.7714 32.0327 -306.101 24.9274 -31.7718 24.9266 -60.0245 GPRESSURE: 4153400 -180.32 -33.8688 8.82933 66.2887 -267.442 59.675 -84.1691 3.03576 -15.5002 PRESSAVG: 4153400 29.0581 23.0919 18.9291 23.0918 37.0924 14.5914 18.9292 14.5914 -27.1991 GPRESSAVG: 4153400 27.6597 24.1937 21.3582 21.4456 38.0703 15.7727 18.097 12.2106 -26.1738 TIMING: 4153400 CPU: 12343.8, 0.00292685/step Wall: 12343.8, 0.00292685/step, 0.688297 hours remaining, 208.023438 MB of memory in use. ENERGY: 4153400 773.2338 2057.6728 1962.5159 107.2776 -206015.7052 17654.3017 0.0000 0.0000 34475.5348 -148985.1688 301.0834 -183460.7035 -148891.2102 299.5341 -187.0892 -154.4207 559168.2650 12.9838 13.1854 PRESSURE: 4153600 -17.901 131.928 -28.5527 131.928 12.058 -85.8916 -28.5523 -85.8906 -138.891 GPRESSURE: 4153600 13.4167 97.0879 -82.1109 144.908 76.6142 -77.4229 -58.3144 -41.4231 -126.844 PRESSAVG: 4153600 -24.7576 90.9854 -34.2038 90.9854 43.8763 -5.17463 -34.2038 -5.1747 3.37951 GPRESSAVG: 4153600 -25.9431 88.1004 -35.6276 92.7911 43.7156 -1.63991 -33.5654 -5.82644 4.21 TIMING: 4153600 CPU: 12344.4, 0.00290639/step Wall: 12344.4, 0.00290639/step, 0.683326 hours remaining, 208.023438 MB of memory in use. ENERGY: 4153600 791.5458 2088.7998 1930.7806 95.7290 -206238.5784 17933.2569 0.0000 0.0000 34380.0334 -149018.4328 300.2494 -183398.4663 -148920.9203 299.8690 -48.2448 -12.2710 557362.3044 7.4994 7.3275 PRESSURE: 4153800 -182.985 94.0234 -55.1963 94.023 75.2146 -68.0355 -55.1956 -68.0354 -276.651 GPRESSURE: 4153800 -112.791 79.1676 24.5991 95.0781 72.7905 -106.013 -60.3955 -34.4669 -240.595 PRESSAVG: 4153800 -6.31102 14.3242 0.998654 14.3242 49.5636 35.0115 0.998672 35.0116 -43.5671 GPRESSAVG: 4153800 -5.53029 16.4879 0.902798 11.3544 48.9598 30.4536 1.20132 37.7828 -43.3429 TIMING: 4153800 CPU: 12345, 0.00292858/step Wall: 12345, 0.00292858/step, 0.68838 hours remaining, 208.023438 MB of memory in use. ENERGY: 4153800 753.1970 2041.9250 1951.6297 108.7048 -205892.6361 17643.0923 0.0000 0.0000 34353.5766 -149040.5107 300.0183 -183394.0873 -148948.7782 299.8726 -128.1406 -93.5318 557505.6523 -0.1048 0.0289 PRESSURE: 4154000 -131.49 -130.243 105.076 -130.243 0.452379 70.0958 105.076 70.0955 -168.458 GPRESSURE: 4154000 -13.5467 -103.304 155.002 -143.487 -53.0243 117.146 39.8001 77.3064 -129.073 PRESSAVG: 4154000 -21.4829 36.6691 51.2509 36.669 19.2826 -19.5164 51.2509 -19.5165 -28.6964 GPRESSAVG: 4154000 -20.6348 36.8458 52.7721 38.1839 19.1648 -17.8429 47.955 -21.0143 -29.3159 TIMING: 4154000 CPU: 12345.6, 0.0029576/step Wall: 12345.6, 0.0029576/step, 0.695037 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4154000 741.2235 2042.0696 1934.6438 105.9258 -205764.2038 17578.6082 0.0000 0.0000 34342.2244 -149019.5084 299.9192 -183361.7328 -148924.8283 300.2862 -99.8319 -65.2145 557632.9957 -10.2989 -10.2620 PRESSURE: 4154200 8.49071 312.337 -16.4738 312.338 -53.6336 94.8171 -16.4721 94.8149 97.914 GPRESSURE: 4154200 11.8288 311.639 9.21932 250.397 1.79849 39.2265 18.1035 61.5198 129.153 PRESSAVG: 4154200 -32.6384 12.29 21.1231 12.2901 -43.1723 -2.3487 21.1231 -2.34872 66.8341 GPRESSAVG: 4154200 -33.386 13.8859 20.6578 11.1165 -41.9964 -2.99573 23.4889 -1.84917 66.4415 TIMING: 4154200 CPU: 12346.1, 0.00294024/step Wall: 12346.1, 0.00294024/step, 0.690793 hours remaining, 208.023438 MB of memory in use. ENERGY: 4154200 736.8642 2160.1682 1917.9473 99.5578 -205856.3675 17782.8593 0.0000 0.0000 34270.5031 -148888.4677 299.2928 -183158.9707 -148794.3827 299.0053 17.5904 47.5933 557827.3022 -2.9922 -2.9803 PRESSURE: 4154400 -69.1939 2.69404 24.6234 2.69365 -220.36 -113.806 24.6242 -113.804 65.8875 GPRESSURE: 4154400 -58.9223 2.28152 -14.9489 57.5461 -204.277 -156.219 46.5905 -165.209 123.429 PRESSAVG: 4154400 -41.0505 -43.5241 -20.8726 -43.5242 13.4123 -27.2534 -20.8725 -27.2535 46.7072 GPRESSAVG: 4154400 -40.4235 -46.4312 -21.5039 -40.5346 13.0203 -27.3859 -19.4789 -26.6123 46.4732 TIMING: 4154400 CPU: 12346.7, 0.00293384/step Wall: 12346.7, 0.00293384/step, 0.689127 hours remaining, 208.023438 MB of memory in use. ENERGY: 4154400 759.3694 2104.8305 1966.7135 122.8862 -205773.7099 17596.7290 0.0000 0.0000 34391.1585 -148832.0228 300.3465 -183223.1812 -148738.8604 299.8404 -74.5553 -46.5902 558279.3185 6.3563 6.3567 PRESSURE: 4154600 -137.149 -219.414 2.61252 -219.415 -48.5779 -122.938 2.61255 -122.938 -125.36 GPRESSURE: 4154600 -110.494 -201.191 72.7512 -298.028 -58.5267 -126.291 -81.7279 -99.7801 -43.0158 PRESSAVG: 4154600 50.9544 -37.3061 26.7252 -37.306 -91.384 -7.17931 26.7252 -7.17933 49.268 GPRESSAVG: 4154600 51.0166 -36.0913 26.3978 -39.5898 -91.3543 -7.24534 26.9789 -8.02721 49.7987 TIMING: 4154600 CPU: 12347.3, 0.00291945/step Wall: 12347.3, 0.00291945/step, 0.685585 hours remaining, 208.023438 MB of memory in use. ENERGY: 4154600 748.3527 2075.4626 1943.1651 104.7192 -205883.2406 17530.3350 0.0000 0.0000 34531.7010 -148949.5050 301.5739 -183481.2060 -148854.3405 300.2682 -103.6956 -70.6787 556845.9396 2.9461 3.1537 PRESSURE: 4154800 -52.5624 126.384 11.9491 126.384 -190.159 1.69729 11.9482 1.6981 -170.339 GPRESSURE: 4154800 -6.56399 127.822 -1.72779 224.186 -164.672 10.718 9.88951 -6.77292 -153.311 PRESSAVG: 4154800 37.6729 -22.3451 37.9419 -22.3451 -52.2395 -23.5024 37.9419 -23.5024 33.7843 GPRESSAVG: 4154800 37.9249 -23.3864 37.4435 -20.3612 -51.5388 -22.856 37.5337 -22.8652 33.3835 TIMING: 4154800 CPU: 12347.9, 0.00291477/step Wall: 12347.9, 0.00291477/step, 0.684323 hours remaining, 208.023438 MB of memory in use. ENERGY: 4154800 713.5511 2128.8090 1931.0572 126.6645 -205652.1976 17509.1951 0.0000 0.0000 34244.4444 -148998.4763 299.0652 -183242.9207 -148900.4135 300.4142 -137.6866 -108.1823 558512.4976 6.4059 6.5898 PRESSURE: 4155000 41.8793 -144.873 184.948 -144.872 199.996 -84.2492 184.948 -84.2489 -337.022 GPRESSURE: 4155000 20.0921 -189.342 106.776 -125.824 226.386 -135.391 150.791 -140.709 -246.892 PRESSAVG: 4155000 53.005 -20.7449 18.7819 -20.7449 -34.8771 -3.39414 18.7821 -3.39418 22.9356 GPRESSAVG: 4155000 53.226 -19.3858 20.2375 -21.7076 -35.9531 -3.25019 16.7313 -2.84016 23.1495 TIMING: 4155000 CPU: 12348.5, 0.00291956/step Wall: 12348.5, 0.00291956/step, 0.685285 hours remaining, 208.023438 MB of memory in use. ENERGY: 4155000 711.4559 2101.0242 1941.2489 111.8820 -205419.1507 17442.0049 0.0000 0.0000 34114.6757 -148996.8591 297.9319 -183111.5348 -148897.8818 299.6097 -31.7156 -0.1380 557920.8221 13.6878 13.4741 PRESSURE: 4155200 -538.667 -52.3596 29.0544 -52.36 -126.84 156.553 29.0546 156.553 -478.718 GPRESSURE: 4155200 -504.229 -17.5511 103.592 -133.991 -113.496 164.245 -38.8866 138.33 -423.214 PRESSAVG: 4155200 -43.7362 43.8972 -13.2856 43.8972 58.6481 40.7977 -13.2856 40.7978 -32.3564 GPRESSAVG: 4155200 -43.6341 41.3674 -12.5813 45.4181 58.5527 42.3823 -12.2686 40.5742 -32.3917 TIMING: 4155200 CPU: 12349.1, 0.00295294/step Wall: 12349.1, 0.00295294/step, 0.692957 hours remaining, 208.023438 MB of memory in use. ENERGY: 4155200 800.0465 2082.2190 1968.2605 116.6311 -205467.1229 17438.1291 0.0000 0.0000 34159.9717 -148901.8651 298.3275 -183061.8368 -148807.7763 299.8729 -381.4084 -346.9796 559220.8745 -5.8148 -5.8244 PRESSURE: 4155400 -242.797 -18.8144 -208.021 -18.8152 69.9423 -144.961 -208.022 -144.962 81.9782 GPRESSURE: 4155400 -203.615 1.5975 -181.597 4.05493 121.677 -157.708 -223.235 -94.9921 97.1599 PRESSAVG: 4155400 -25.1985 2.94362 -31.6905 2.94371 2.6501 -10.6073 -31.6905 -10.6073 52.8345 GPRESSAVG: 4155400 -24.7495 5.22121 -31.391 0.270074 2.09854 -10.6379 -31.3655 -12.4279 52.8943 TIMING: 4155400 CPU: 12349.7, 0.00293772/step Wall: 12349.7, 0.00293772/step, 0.689222 hours remaining, 208.023438 MB of memory in use. ENERGY: 4155400 735.2332 2101.3493 1937.3422 116.7651 -206147.2104 17838.3222 0.0000 0.0000 34465.7596 -148952.4388 300.9981 -183418.1984 -148858.7845 300.3655 -30.2920 5.0739 558738.8507 10.0954 10.0811 PRESSURE: 4155600 -269.351 91.57 60.5099 91.5699 -208.059 -95.1205 60.5101 -95.1182 -155.838 GPRESSURE: 4155600 -220.589 80.0711 -19.7563 81.6043 -209.448 -35.7948 59.3842 -117.69 -97.459 PRESSAVG: 4155600 -37.9103 -8.41552 -38.7595 -8.41551 66.3214 -49.2926 -38.7595 -49.2925 2.70338 GPRESSAVG: 4155600 -38.6685 -8.19874 -41.7523 -7.80436 67.3812 -52.2817 -37.1132 -48.3125 2.76736 TIMING: 4155600 CPU: 12350.3, 0.00296251/step Wall: 12350.3, 0.00296251/step, 0.694873 hours remaining, 208.023438 MB of memory in use. ENERGY: 4155600 725.9538 2101.6437 1949.0088 119.5598 -205641.1471 17539.3804 0.0000 0.0000 34315.7407 -148889.8599 299.6879 -183205.6006 -148801.7717 300.0221 -211.0824 -175.8322 559705.2697 10.3715 10.4934 PRESSURE: 4155800 61.0084 -189.341 -109.935 -189.34 -31.9599 -60.3259 -109.934 -60.3289 21.1301 GPRESSURE: 4155800 113.262 -246.105 -96.4469 -134.586 -17.4027 -79.5654 -65.6211 -69.6561 42.7477 PRESSAVG: 4155800 -36.0971 -4.8746 -19.7639 -4.87458 26.6194 36.2679 -19.7639 36.2679 -7.6382 GPRESSAVG: 4155800 -35.5086 -6.04207 -18.911 -4.36819 25.7148 37.0526 -21.171 37.0931 -7.388 TIMING: 4155800 CPU: 12350.8, 0.00293466/step Wall: 12350.8, 0.00293466/step, 0.688177 hours remaining, 208.023438 MB of memory in use. ENERGY: 4155800 753.0863 2066.4590 1963.5335 118.7662 -205958.9841 17792.4672 0.0000 0.0000 34259.3478 -149005.3241 299.1954 -183264.6719 -148908.4438 300.2228 16.7262 46.2023 557444.5308 -5.7053 -5.7273 PRESSURE: 4156000 -31.6633 -143.918 61.7044 -143.918 8.17157 -36.5221 61.7019 -36.5219 -50.5529 GPRESSURE: 4156000 -51.7337 -95.0413 23.2778 -174.2 81.6158 63.7693 34.3745 -93.5294 -4.52582 PRESSAVG: 4156000 62.8354 -11.4554 10.2312 -11.4554 -35.4816 -51.6433 10.2311 -51.6432 -42.8501 GPRESSAVG: 4156000 62.7067 -10.0158 11.962 -10.7504 -35.2179 -50.9958 9.29438 -53.015 -42.8133 TIMING: 4156000 CPU: 12351.4, 0.00292312/step Wall: 12351.4, 0.00292312/step, 0.685309 hours remaining, 208.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4156000 736.9568 2141.0051 1949.1305 120.7203 -205826.2318 17566.3707 0.0000 0.0000 34244.9045 -149067.1438 299.0693 -183312.0484 -148970.3424 300.2494 -24.6816 8.4521 557159.4345 -5.1654 -5.1082 PRESSURE: 4156200 -80.1672 -14.221 -49.5089 -14.2227 -325.925 -37.7186 -49.5074 -37.721 -206.18 GPRESSURE: 4156200 19.5232 160.459 30.0278 -62.4749 -269.709 24.9676 -108.013 -24.2011 -261.569 PRESSAVG: 4156200 44.0443 -18.647 -41.9046 -18.647 34.2764 -35.5878 -41.9047 -35.5878 -24.4705 GPRESSAVG: 4156200 45.0923 -21.11 -44.883 -19.1471 34.303 -36.0229 -40.097 -33.6097 -25.3872 TIMING: 4156200 CPU: 12352, 0.0029332/step Wall: 12352, 0.0029332/step, 0.687509 hours remaining, 208.023438 MB of memory in use. ENERGY: 4156200 764.9898 2098.8216 1936.7297 114.0401 -205550.1344 17440.6623 0.0000 0.0000 34442.6554 -148752.2356 300.7963 -183194.8909 -148661.2715 300.8751 -204.0907 -170.5850 557979.8510 17.9501 18.0027 LDB: ============= START OF LOAD BALANCING ============== 12355.6 LDB: ============== END OF LOAD BALANCING =============== 12355.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12355.6 LDB: ============= START OF LOAD BALANCING ============== 12355.9 LDB: Largest compute 4809 load 0.023359 is 19.7% of average load 0.118319 LDB: Average compute 0.001737 is 1.5% of average load 0.118319 LDB: TIME 12355.9 LOAD: AVG 0.118319 MAX 0.196972 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.891 MB LDB: TIME 12355.9 LOAD: AVG 0.118319 MAX 0.196972 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.891 MB LDB: TIME 12355.9 LOAD: AVG 0.118319 MAX 0.196972 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.891 MB LDB: ============== END OF LOAD BALANCING =============== 12355.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12355.9 PRESSURE: 4156400 75.394 -83.9797 62.8016 -83.9784 0.392959 76.1956 62.8017 76.1948 10.2575 GPRESSURE: 4156400 137.411 -171.307 109.877 -125.303 27.562 -16.3569 0.415933 133.136 9.69993 PRESSAVG: 4156400 76.3717 -22.1223 -34.8109 -22.1224 -69.5063 -51.8735 -34.8108 -51.8737 -23.3427 GPRESSAVG: 4156400 74.5465 -19.3366 -34.4003 -22.9418 -68.9082 -51.8673 -35.2217 -53.5541 -22.4465 TIMING: 4156400 CPU: 12352.6, 0.00302013/step Wall: 12352.6, 0.00302013/step, 0.707717 hours remaining, 208.593750 MB of memory in use. ENERGY: 4156400 765.2987 2074.2778 1949.4147 121.8409 -205564.1494 17633.6009 0.0000 0.0000 34313.7561 -148705.9603 299.6706 -183019.7164 -148609.5369 300.7428 28.6815 58.2245 557736.8034 -5.4924 -5.6027 PRESSURE: 4156600 -22.6879 28.6832 -185.539 28.6829 -80.1392 -19.7512 -185.538 -19.7507 229.805 GPRESSURE: 4156600 -74.741 19.1122 -143.705 -22.5056 -0.552529 56.5933 -195.516 -7.92683 295.31 PRESSAVG: 4156600 -44.9864 -37.7153 -40.5814 -37.7154 -5.01023 21.4581 -40.5814 21.4581 20.7347 GPRESSAVG: 4156600 -44.4603 -37.7517 -39.8153 -37.9803 -5.13819 22.017 -41.2316 23.204 20.972 TIMING: 4156600 CPU: 12353.2, 0.00292487/step Wall: 12353.2, 0.00292487/step, 0.685233 hours remaining, 208.664062 MB of memory in use. ENERGY: 4156600 707.7531 2070.8791 1945.9707 137.1599 -205579.1535 17679.9677 0.0000 0.0000 34293.9972 -148743.4258 299.4980 -183037.4230 -148647.4144 300.3546 42.3261 73.3389 557674.3064 -9.7540 -9.5422 PRESSURE: 4156800 -140.329 -107.447 -78.8049 -107.446 -4.89279 78.3884 -78.8057 78.388 -120.378 GPRESSURE: 4156800 -58.4364 -68.063 -11.0289 -113.09 -1.63368 -0.867274 -111.332 60.1539 -106.514 PRESSAVG: 4156800 17.6451 0.15142 -73.7172 0.151447 -31.297 23.3099 -73.7173 23.3098 5.302 GPRESSAVG: 4156800 17.0083 -1.66526 -73.6721 2.14409 -30.4551 24.2793 -74.5267 20.9069 5.83052 TIMING: 4156800 CPU: 12353.8, 0.0029177/step Wall: 12353.8, 0.0029177/step, 0.68339 hours remaining, 208.664062 MB of memory in use. ENERGY: 4156800 735.4940 2043.3201 1959.8670 109.5739 -205465.6435 17557.3891 0.0000 0.0000 34120.9016 -148939.0977 297.9863 -183059.9993 -148840.8694 299.4051 -88.5333 -55.5280 557632.9191 -2.7833 -2.5387 PRESSURE: 4157000 -81.5272 -207.564 91.859 -207.565 207.151 -24.4725 91.8586 -24.4727 28.2789 GPRESSURE: 4157000 -26.1621 -218.355 -21.9101 -261.004 223.645 -64.2536 93.9529 -84.0858 42.4382 PRESSAVG: 4157000 29.1886 -16.4096 -68.6738 -16.4095 -39.7805 16.7463 -68.6737 16.7463 17.2766 GPRESSAVG: 4157000 29.4516 -15.4766 -67.8225 -17.4842 -39.6959 14.1328 -69.5436 15.3198 17.0854 TIMING: 4157000 CPU: 12354.4, 0.00294375/step Wall: 12354.4, 0.00294375/step, 0.689328 hours remaining, 208.664062 MB of memory in use. ENERGY: 4157000 718.7414 2077.4183 1930.5752 110.5643 -206458.7564 18116.2284 0.0000 0.0000 34439.4637 -149065.7651 300.7684 -183505.2288 -148965.5781 299.6267 51.3008 79.9737 559962.1413 2.2282 2.2804 PRESSURE: 4157200 -119.483 91.3813 -15.439 91.3821 -95.3865 -44.0157 -15.4386 -44.0157 -283.676 GPRESSURE: 4157200 -52.3983 46.6154 41.3145 44.4638 -70.3049 -82.6694 -32.0574 -12.4811 -285.499 PRESSAVG: 4157200 9.96294 -27.4379 -82.8575 -27.4379 -8.05638 -4.77324 -82.8576 -4.77334 30.8618 GPRESSAVG: 4157200 10.4979 -29.8225 -84.2737 -27.123 -8.97353 -3.64094 -82.5465 -3.68795 31.1468 TIMING: 4157200 CPU: 12355, 0.00297006/step Wall: 12355, 0.00297006/step, 0.695324 hours remaining, 208.664062 MB of memory in use. ENERGY: 4157200 754.7956 2074.3293 1923.7886 124.9603 -206145.3054 17644.0599 0.0000 0.0000 34366.9814 -149256.3904 300.1354 -183623.3718 -149157.8167 299.0519 -166.1819 -136.0675 558692.6990 10.9228 10.8904 PRESSURE: 4157400 351.647 -184.133 128.574 -184.132 -216.634 68.201 128.575 68.2008 7.22673 GPRESSURE: 4157400 337.796 -122.631 174.559 -121.612 -155.809 9.85554 43.5615 62.3405 63.0867 PRESSAVG: 4157400 66.7339 -21.398 47.2548 -21.398 -52.6291 -29.419 47.2548 -29.4189 4.44384 GPRESSAVG: 4157400 66.8272 -21.2054 46.7133 -20.0526 -51.6184 -29.5006 47.9719 -27.7473 3.75666 TIMING: 4157400 CPU: 12355.6, 0.00294658/step Wall: 12355.6, 0.00294658/step, 0.689664 hours remaining, 208.664062 MB of memory in use. ENERGY: 4157400 750.7798 2082.7258 1940.4735 107.4697 -206479.3829 18098.5342 0.0000 0.0000 34275.4241 -149223.9759 299.3358 -183499.4000 -149132.9977 298.7420 47.4132 81.6913 558467.3927 6.1829 6.3218 PRESSURE: 4157600 -50.8154 13.8605 131.562 13.8606 -235.981 107.204 131.563 107.204 -252.256 GPRESSURE: 4157600 -38.5939 -80.8262 70.2373 58.9299 -203.574 84.1067 5.8398 40.1688 -202.351 PRESSAVG: 4157600 103.545 -41.1036 0.104726 -41.1036 -70.7536 33.1198 0.104913 33.1197 -35.5295 GPRESSAVG: 4157600 104.098 -41.4662 1.56775 -41.0528 -71.301 32.4652 -2.46411 32.4249 -35.7546 TIMING: 4157600 CPU: 12356.1, 0.00295944/step Wall: 12356.1, 0.00295944/step, 0.692508 hours remaining, 208.664062 MB of memory in use. ENERGY: 4157600 741.6159 2065.3468 1928.5096 114.9117 -205905.9520 17640.6246 0.0000 0.0000 34362.8481 -149052.0952 300.0993 -183414.9434 -148953.5629 299.5920 -179.6840 -148.1729 559489.1925 -0.9126 -0.9858 PRESSURE: 4157800 -270.464 75.7659 -142.426 75.7662 82.561 -72.8035 -142.426 -72.8028 -102.103 GPRESSURE: 4157800 -209.115 45.8448 -112.979 47.2778 46.1176 -90.2293 -179.462 -69.4948 -24.0289 PRESSAVG: 4157800 11.9871 -25.1958 -23.9513 -25.1958 -37.6258 6.34512 -23.9513 6.34503 -35.8842 GPRESSAVG: 4157800 11.466 -24.9381 -22.9005 -25.3201 -36.9945 4.57416 -22.6035 9.41041 -35.865 TIMING: 4157800 CPU: 12356.7, 0.00292914/step Wall: 12356.7, 0.00292914/step, 0.685257 hours remaining, 208.664062 MB of memory in use. ENERGY: 4157800 765.1514 2108.5317 1961.6798 113.4946 -206130.7659 17782.3272 0.0000 0.0000 34382.8788 -149016.7022 300.2742 -183399.5810 -148918.1044 299.6591 -96.6688 -62.3423 558524.3155 -20.5076 -20.4645 PRESSURE: 4158000 32.527 2.62404 -205.804 2.62354 98.6533 55.1866 -205.803 55.184 -17.8002 GPRESSURE: 4158000 38.4864 4.25667 -131.926 -36.4009 198.599 150.554 -180.881 32.3185 -23.7124 PRESSAVG: 4158000 -59.9515 3.07133 4.33388 3.07123 20.5008 9.55829 4.33396 9.5583 16.1877 GPRESSAVG: 4158000 -60.1243 6.07444 3.15382 0.289969 20.1508 9.99445 3.58115 9.92764 16.6855 TIMING: 4158000 CPU: 12357.3, 0.00290348/step Wall: 12357.3, 0.00290348/step, 0.679091 hours remaining, 208.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4158000 749.6668 2080.2531 1988.3442 115.2172 -206350.4065 17919.5346 0.0000 0.0000 34356.7311 -149140.6594 300.0459 -183497.3906 -149038.7343 299.7843 37.7933 71.1244 559202.9299 -7.7543 -7.7627 PRESSURE: 4158200 147.957 29.127 14.4058 29.1274 21.7084 -66.8479 14.4059 -66.8478 -26.1371 GPRESSURE: 4158200 184.816 55.4748 -30.3373 92.3806 25.0503 -100.577 87.1581 -14.9189 25.3254 PRESSAVG: 4158200 6.51916 15.9346 -56.0027 15.9346 -8.10771 4.01544 -56.0027 4.01551 -11.1571 GPRESSAVG: 4158200 7.42065 13.112 -58.3568 16.9566 -8.26838 4.75486 -54.3603 2.21356 -12.0618 TIMING: 4158200 CPU: 12357.9, 0.00292354/step Wall: 12357.9, 0.00292354/step, 0.683621 hours remaining, 208.664062 MB of memory in use. ENERGY: 4158200 727.0488 2100.7676 1955.0601 124.1977 -206508.6010 18108.2867 0.0000 0.0000 34292.8007 -149200.4393 299.4876 -183493.2400 -149100.8446 298.7971 47.8428 78.3974 560060.6289 -4.2485 -4.3032 PRESSURE: 4158400 119.658 -54.4344 -6.68785 -54.4349 56.5094 -43.0156 -6.68666 -43.0145 -8.67816 GPRESSURE: 4158400 136.958 -78.0685 112.443 -54.8926 56.331 -36.3622 -43.163 -29.9539 80.0913 PRESSAVG: 4158400 -1.17656 21.6428 -22.0846 21.6428 -40.5988 0.94564 -22.0846 0.945573 45.4443 GPRESSAVG: 4158400 -3.26219 23.7212 -19.9269 20.9216 -39.4035 1.5305 -23.136 0.792937 47.1914 TIMING: 4158400 CPU: 12358.5, 0.00291846/step Wall: 12358.5, 0.00291846/step, 0.682272 hours remaining, 208.664062 MB of memory in use. ENERGY: 4158400 756.5288 2072.3782 1930.7532 130.6784 -206026.3892 17951.0853 0.0000 0.0000 34070.8759 -149114.0893 297.5494 -183184.9652 -149010.5160 298.4684 55.8296 91.1269 559003.6435 1.2230 1.5086 PRESSURE: 4158600 178.227 114.128 104.143 114.128 -192.3 -122.081 104.144 -122.081 10.9007 GPRESSURE: 4158600 197.833 131.337 90.5034 189.917 -103.689 -165.154 38.5731 -150.563 -4.58165 PRESSAVG: 4158600 7.13522 46.5513 0.531178 46.5513 -8.45336 -16.605 0.531217 -16.605 -13.8581 GPRESSAVG: 4158600 8.94943 44.6541 0.0949253 47.8153 -9.6419 -15.2458 0.999959 -16.5125 -14.8563 TIMING: 4158600 CPU: 12359.1, 0.00291437/step Wall: 12359.1, 0.00291437/step, 0.681153 hours remaining, 208.664062 MB of memory in use. ENERGY: 4158600 771.1603 2084.8929 1950.2690 112.5459 -206214.1135 17738.9180 0.0000 0.0000 34542.4388 -149013.8886 301.6677 -183556.3273 -148916.1041 299.8830 -1.0575 29.8543 558127.9670 -5.0588 -5.1829 PRESSURE: 4158800 -32.7773 78.5214 -202.635 78.5211 -135.119 -100.787 -202.635 -100.786 17.7816 GPRESSURE: 4158800 -44.9649 110.247 -194.997 87.5079 -80.0145 -83.9999 -178.183 -38.5221 78.9407 PRESSAVG: 4158800 41.8695 -1.2662 50.1903 -1.26623 -57.3398 -23.3371 50.1902 -23.3371 -17.5236 GPRESSAVG: 4158800 40.6415 1.20452 49.6893 -1.8235 -56.6449 -25.4749 50.5046 -23.7635 -17.1468 TIMING: 4158800 CPU: 12359.7, 0.00293937/step Wall: 12359.7, 0.00293937/step, 0.686834 hours remaining, 208.664062 MB of memory in use. ENERGY: 4158800 753.3067 2051.8973 1943.3394 117.9218 -205717.6439 17659.8426 0.0000 0.0000 34156.2027 -149035.1335 298.2946 -183191.3362 -148938.4897 299.6579 -50.0384 -15.3462 557146.6470 -10.9980 -11.0501 PRESSURE: 4159000 7.01215 -108.602 72.1395 -108.602 -166.618 -96.4428 72.1397 -96.4439 88.541 GPRESSURE: 4159000 48.5279 -143.652 91.8206 -108.313 -205.037 -128.943 47.1508 -118.666 186.027 PRESSAVG: 4159000 69.4865 -26.6062 24.8595 -26.6062 -55.7616 -0.485701 24.8595 -0.485679 13.5853 GPRESSAVG: 4159000 70.4516 -29.0152 24.9757 -25.8488 -56.1925 0.0862487 24.9573 -2.04273 13.2689 TIMING: 4159000 CPU: 12360.2, 0.00291128/step Wall: 12360.2, 0.00291128/step, 0.680107 hours remaining, 208.664062 MB of memory in use. ENERGY: 4159000 733.6590 2149.3142 1924.4742 119.9572 -206090.0943 17771.9813 0.0000 0.0000 34214.6305 -149176.0779 298.8049 -183390.7084 -149079.7121 299.5109 -23.6884 9.8391 558864.4383 9.1034 9.1760 PRESSURE: 4159200 274.191 30.3405 221.99 30.3393 -91.6284 -55.7585 221.991 -55.7582 112.113 GPRESSURE: 4159200 348.243 26.5891 233.529 119.268 -33.9364 20.5864 205.066 -78.2934 91.7817 PRESSAVG: 4159200 45.0029 -53.5538 43.2994 -53.5538 16.003 -64.0223 43.2995 -64.0223 -94.631 GPRESSAVG: 4159200 45.6342 -52.298 42.2185 -54.5801 16.1873 -64.1333 44.6701 -61.1261 -94.9068 TIMING: 4159200 CPU: 12360.8, 0.00292285/step Wall: 12360.8, 0.00292285/step, 0.682648 hours remaining, 208.664062 MB of memory in use. ENERGY: 4159200 810.7406 2101.3280 1917.3539 107.5401 -206550.7151 18231.3731 0.0000 0.0000 34236.7638 -149145.6155 298.9982 -183382.3793 -149043.6152 299.1878 98.2251 135.3628 559011.4579 -11.2084 -11.0284 PRESSURE: 4159400 -9.50214 -92.8466 -193.482 -92.8462 47.9653 -36.5859 -193.481 -36.5864 301.032 GPRESSURE: 4159400 9.69822 -28.4391 -331.731 -97.2488 106.907 -17.6203 -67.9834 -21.1918 326.897 PRESSAVG: 4159400 -28.3917 3.69353 -41.5309 3.6935 -26.6356 -42.7055 -41.5308 -42.7055 45.8198 GPRESSAVG: 4159400 -28.7992 4.76506 -39.443 2.67657 -26.5195 -43.4 -43.5648 -44.3774 45.691 TIMING: 4159400 CPU: 12361.4, 0.0029422/step Wall: 12361.4, 0.0029422/step, 0.687004 hours remaining, 208.664062 MB of memory in use. ENERGY: 4159400 743.9809 2121.0899 1968.2428 129.2462 -206443.6011 17990.5978 0.0000 0.0000 34229.8222 -149260.6213 298.9376 -183490.4435 -149167.3481 299.3109 113.1651 147.8344 557867.4296 -3.0692 -3.2092 PRESSURE: 4159600 180.515 55.2611 -56.4014 55.2601 -377.838 3.24867 -56.4002 3.24808 -57.808 GPRESSURE: 4159600 158.764 -107.952 -73.3325 39.4055 -371.696 118.949 72.01 -20.514 68.5304 PRESSAVG: 4159600 44.1716 30.7514 12.6704 30.7515 -62.0981 13.5658 12.6703 13.5658 44.1954 GPRESSAVG: 4159600 42.6892 27.5968 11.0554 32.7577 -61.9272 15.1782 13.6841 12.7651 46.1181 TIMING: 4159600 CPU: 12362, 0.00295415/step Wall: 12362, 0.00295415/step, 0.68963 hours remaining, 208.789062 MB of memory in use. ENERGY: 4159600 752.0145 2082.7263 1937.5395 118.3721 -206289.9898 17676.2407 0.0000 0.0000 34240.0370 -149483.0598 299.0268 -183723.0968 -149379.1250 298.3695 -85.0439 -48.1339 555726.3099 8.7563 8.9600 PRESSURE: 4159800 180.771 14.4087 -4.87811 14.4076 161.351 -80.0185 -4.88025 -80.0154 359.298 GPRESSURE: 4159800 214.472 -9.38792 -16.5936 59.2625 194.141 -67.2715 -5.92513 -70.2989 386.783 PRESSAVG: 4159800 8.90056 21.0636 -3.93055 21.0636 -13.1618 14.8549 -3.9306 14.8548 32.044 GPRESSAVG: 4159800 9.77105 22.1177 -2.56267 20.1189 -12.8572 16.3262 -5.62971 13.8051 30.9104 TIMING: 4159800 CPU: 12362.6, 0.00294796/step Wall: 12362.6, 0.00294796/step, 0.688022 hours remaining, 208.789062 MB of memory in use. ENERGY: 4159800 759.8437 2027.3401 1908.3082 101.7852 -206488.2642 18053.9518 0.0000 0.0000 34249.7234 -149387.3119 299.1114 -183637.0352 -149292.2925 298.0033 233.8069 265.1320 556702.6065 9.2609 9.2748 PRESSURE: 4160000 -28.3771 89.2732 -37.3572 89.2725 -36.2326 31.0111 -37.3578 31.0108 -260.216 GPRESSURE: 4160000 9.27953 140.324 -25.4507 123.713 21.946 48.4623 -70.3909 89.1491 -255.96 PRESSAVG: 4160000 3.24792 38.0158 -4.75684 38.0157 -46.5348 16.4007 -4.75682 16.4007 -5.59949 GPRESSAVG: 4160000 3.56347 37.4311 -5.71682 37.6998 -45.9275 13.5857 -2.48324 19.1437 -6.27924 TIMING: 4160000 CPU: 12363.2, 0.00293209/step Wall: 12363.2, 0.00293209/step, 0.684155 hours remaining, 208.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4160000 760.3320 2104.2847 1909.0557 123.5771 -206194.1658 17679.6989 0.0000 0.0000 34221.0536 -149396.1638 298.8610 -183617.2174 -149301.7992 298.8402 -108.2753 -74.9116 557324.2171 -16.2955 -16.2144 PRESSURE: 4160200 -116.756 147.158 92.4976 147.157 5.27906 96.8961 92.4959 96.8983 107.691 GPRESSURE: 4160200 -76.8896 52.4518 69.4281 63.9177 78.8202 114.283 149.217 99.8068 98.6179 PRESSAVG: 4160200 42.9777 52.1153 2.56244 52.1153 7.28732 45.2056 2.56241 45.2057 -36.4417 GPRESSAVG: 4160200 43.1459 50.3425 2.71395 52.9758 6.66612 46.4032 2.86445 42.2869 -36.0876 TIMING: 4160200 CPU: 12363.8, 0.00294806/step Wall: 12363.8, 0.00294806/step, 0.687717 hours remaining, 208.789062 MB of memory in use. ENERGY: 4160200 747.2542 2106.8478 1933.1645 108.7873 -206786.3641 18033.2927 0.0000 0.0000 34279.8778 -149577.1399 299.3747 -183857.0177 -149482.2839 298.8891 -1.2621 33.5162 556941.9553 4.6078 4.5748 LDB: ============= START OF LOAD BALANCING ============== 12367.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12367.3 LDB: =============== DONE WITH MIGRATION ================ 12367.3 LDB: ============= START OF LOAD BALANCING ============== 12367.6 LDB: Largest compute 4809 load 0.023888 is 20.2% of average load 0.118317 LDB: Average compute 0.001732 is 1.5% of average load 0.118317 LDB: TIME 12367.6 LOAD: AVG 0.118317 MAX 0.199238 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.855 MB LDB: TIME 12367.6 LOAD: AVG 0.118317 MAX 0.199238 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.062 MB LDB: TIME 12367.6 LOAD: AVG 0.118317 MAX 0.199238 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.062 MB LDB: ============== END OF LOAD BALANCING =============== 12367.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12367.6 PRESSURE: 4160400 -214.844 151.2 -68.2102 151.201 -223.174 4.87884 -68.209 4.88102 128.232 GPRESSURE: 4160400 -162.512 160.667 -107.685 127.453 -166.005 16.9949 -82.8621 29.285 118.666 PRESSAVG: 4160400 13.781 27.7454 -28.3382 27.7455 44.2166 10.7052 -28.3381 10.7052 -43.0389 GPRESSAVG: 4160400 14.3937 29.64 -26.2156 27.3297 44.0125 10.4439 -31.7946 14.1216 -43.0593 TIMING: 4160400 CPU: 12364.4, 0.0030291/step Wall: 12364.4, 0.0030291/step, 0.706454 hours remaining, 206.855469 MB of memory in use. ENERGY: 4160400 729.1010 2169.4901 1926.2644 103.1138 -206257.0067 17631.0816 0.0000 0.0000 34161.7118 -149536.2442 298.3427 -183697.9559 -149437.3079 298.5315 -103.2621 -69.9504 558388.3277 4.9862 5.1156 PRESSURE: 4160600 234.236 151.465 63.4518 151.465 -66.0702 -105.277 63.4515 -105.277 -38.4922 GPRESSURE: 4160600 240.437 71.7854 1.65331 126.851 -70.5499 -33.5696 9.08292 -63.0403 63.8472 PRESSAVG: 4160600 15.4647 49.4919 4.05131 49.492 -15.8005 5.13675 4.05128 5.13682 48.9412 GPRESSAVG: 4160600 15.9334 48.2537 4.24582 48.3595 -16.2609 5.89827 5.57992 2.59956 48.8577 TIMING: 4160600 CPU: 12365, 0.00294729/step Wall: 12365, 0.00294729/step, 0.687209 hours remaining, 207.054688 MB of memory in use. ENERGY: 4160600 722.6577 2131.7532 1910.3171 108.4215 -206186.5409 17776.2646 0.0000 0.0000 34037.0517 -149500.0751 297.2540 -183537.1268 -149404.1507 298.5223 43.2247 77.9114 556740.4446 16.2018 16.1768 PRESSURE: 4160800 -36.3147 -24.7623 -110.185 -24.7643 -53.5716 5.93985 -110.184 5.94009 -10.4614 GPRESSURE: 4160800 42.0043 -29.3966 -158.059 -30.4967 -44.5112 37.7914 -149.231 -89.0373 -7.48845 PRESSAVG: 4160800 34.7844 67.4257 -24.2726 67.4257 -0.412463 31.8631 -24.2726 31.8631 -60.3908 GPRESSAVG: 4160800 34.3282 68.8505 -25.5733 70.2076 -0.938079 30.3696 -24.1095 34.5561 -59.7282 TIMING: 4160800 CPU: 12365.5, 0.00295061/step Wall: 12365.5, 0.00295061/step, 0.68782 hours remaining, 207.054688 MB of memory in use. ENERGY: 4160800 725.4248 2038.5976 1959.7096 108.5222 -205740.6093 17590.8790 0.0000 0.0000 34074.9351 -149242.5409 297.5849 -183317.4760 -149136.0180 298.5231 -33.4492 -3.3318 557718.5141 -8.6729 -8.7794 PRESSURE: 4161000 -100.204 -50.3901 -138.169 -50.3897 -107.58 75.3205 -138.17 75.3202 -36.6787 GPRESSURE: 4161000 -62.084 -144.754 -99.4299 -49.3871 -82.9569 181.9 -121.686 82.065 8.03163 PRESSAVG: 4161000 -109.015 -26.5897 16.1354 -26.5898 27.821 77.4257 16.1354 77.4258 87.3754 GPRESSAVG: 4161000 -110.338 -27.4942 13.8046 -28.4321 27.3346 77.5234 18.6389 75.8961 89.4233 TIMING: 4161000 CPU: 12366.1, 0.00295107/step Wall: 12366.1, 0.00295107/step, 0.687763 hours remaining, 207.054688 MB of memory in use. ENERGY: 4161000 728.8146 2056.3237 1918.1796 120.4318 -206019.0570 17830.0025 0.0000 0.0000 34308.5881 -149056.7168 299.6254 -183365.3049 -148959.8384 299.7976 -81.4874 -45.6698 559529.7782 2.0605 2.1399 PRESSURE: 4161200 127.012 52.825 83.4582 52.8231 69.4985 -102.676 83.4578 -102.677 -31.6186 GPRESSURE: 4161200 158.39 -32.3688 75.6573 160.61 101.831 -88.0096 130.01 -94.0888 -4.99937 PRESSAVG: 4161200 -7.29651 56.6531 -64.4149 56.6532 20.0506 20.7803 -64.4147 20.7802 -48.4783 GPRESSAVG: 4161200 -6.70276 57.158 -62.921 56.5883 21.4336 20.9203 -66.6305 20.582 -50.8815 TIMING: 4161200 CPU: 12366.7, 0.00296457/step Wall: 12366.7, 0.00296457/step, 0.690745 hours remaining, 207.054688 MB of memory in use. ENERGY: 4161200 734.2003 2090.3539 1897.2962 103.7491 -206071.2267 17823.6209 0.0000 0.0000 34270.6577 -149151.3486 299.2942 -183422.0063 -149050.7387 299.7659 54.9638 85.0737 558490.8416 -11.9081 -12.0502 PRESSURE: 4161400 18.5531 212.711 18.751 212.712 -162.214 62.6318 18.7499 62.632 -166.349 GPRESSURE: 4161400 116.369 185.867 70.4409 354.162 -92.713 115.228 54.5799 78.0085 -229.644 PRESSAVG: 4161400 25.5415 62.8398 28.2383 62.8398 -4.07791 -31.1008 28.2383 -31.1008 -83.5335 GPRESSAVG: 4161400 25.9858 61.3961 28.4138 62.8593 -4.84323 -29.7145 28.9468 -32.0077 -83.9073 TIMING: 4161400 CPU: 12367.3, 0.00294157/step Wall: 12367.3, 0.00294157/step, 0.685222 hours remaining, 207.054688 MB of memory in use. ENERGY: 4161400 752.3777 2094.7727 1928.9387 117.6728 -206028.5050 17720.0202 0.0000 0.0000 34430.8231 -148983.8997 300.6929 -183414.7229 -148888.4127 300.1131 -103.3366 -68.6628 558430.9866 -20.6900 -20.9216 PRESSURE: 4161600 -231.011 8.97978 111.958 8.97891 -179.049 38.6618 111.957 38.6596 -75.3385 GPRESSURE: 4161600 -177.571 24.2836 168.884 52.6335 -166.83 60.6731 102.753 49.6264 -42.3703 PRESSAVG: 4161600 -21.3409 14.4457 26.2982 14.4456 66.3508 21.8064 26.2983 21.8064 -30.7912 GPRESSAVG: 4161600 -20.8848 15.2359 28.3683 15.2686 66.8127 21.7677 23.8456 23.0877 -31.6168 TIMING: 4161600 CPU: 12367.9, 0.0029921/step Wall: 12367.9, 0.0029921/step, 0.696826 hours remaining, 207.054688 MB of memory in use. ENERGY: 4161600 764.5235 2035.2327 1915.0312 108.1752 -205572.0399 17573.1192 0.0000 0.0000 34167.5944 -149008.3637 298.3941 -183175.9581 -148916.1739 299.8086 -161.7993 -128.9239 558946.8245 4.7396 4.7703 PRESSURE: 4161800 107.801 169.848 111.664 169.847 13.4056 178.319 111.664 178.319 213.943 GPRESSURE: 4161800 141.858 112.756 23.0432 253.152 50.1385 165.765 153.778 145.32 239.128 PRESSAVG: 4161800 -9.20589 -6.11306 -7.59875 -6.11313 38.0239 -33.9966 -7.59875 -33.9966 -9.34855 GPRESSAVG: 4161800 -9.52793 -4.49511 -8.37151 -6.21272 37.3561 -35.8128 -8.07935 -33.5468 -8.26913 TIMING: 4161800 CPU: 12368.5, 0.00297453/step Wall: 12368.5, 0.00297453/step, 0.692569 hours remaining, 207.054688 MB of memory in use. ENERGY: 4161800 764.5950 2034.8657 1957.1174 111.2744 -206420.8955 18095.4148 0.0000 0.0000 34399.7345 -149057.8938 300.4214 -183457.6282 -148961.5297 299.3828 111.7167 143.7082 557442.7654 6.4898 6.5197 PRESSURE: 4162000 123.109 62.2204 -29.4481 62.2202 -79.807 -68.9769 -29.4491 -68.9759 -95.7115 GPRESSURE: 4162000 110.225 26.3628 17.639 43.9051 -45.3449 -104.811 2.66776 -7.7812 -22.7647 PRESSAVG: 4162000 93.0361 -8.74776 31.777 -8.74785 -90.5527 20.464 31.777 20.4641 10.4926 GPRESSAVG: 4162000 91.8556 -7.21484 33.5605 -11.6345 -90.2409 20.9179 34.2402 19.3277 11.4286 TIMING: 4162000 CPU: 12369.1, 0.00293604/step Wall: 12369.1, 0.00293604/step, 0.683445 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4162000 785.2945 2065.3989 1935.2893 116.9314 -205953.0086 17724.3286 0.0000 0.0000 34333.8652 -148991.9006 299.8462 -183325.7658 -148897.8391 300.4629 -17.4698 14.0386 558082.0356 4.3253 4.3478 PRESSURE: 4162200 44.2561 -115.603 -23.7621 -115.601 -216.459 65.9531 -23.7635 65.9537 11.0784 GPRESSURE: 4162200 66.1376 -132.345 -46.7733 -82.0479 -163.985 91.0844 39.2948 17.4358 34.1523 PRESSAVG: 4162200 59.5074 -27.461 -44.7323 -27.4611 -16.1316 59.1156 -44.7324 59.1156 -22.2564 GPRESSAVG: 4162200 60.432 -28.6424 -47.9898 -25.219 -16.2341 59.7926 -44.0913 59.3336 -22.9904 TIMING: 4162200 CPU: 12369.7, 0.0029814/step Wall: 12369.7, 0.0029814/step, 0.693837 hours remaining, 207.312500 MB of memory in use. ENERGY: 4162200 754.1995 2035.1993 1914.7211 123.1183 -206027.4651 18017.6761 0.0000 0.0000 34299.6191 -148882.9318 299.5471 -183182.5509 -148782.6101 299.7577 -53.7080 -21.2318 560590.9544 7.0398 7.0692 PRESSURE: 4162400 324.62 92.9325 84.7504 92.9332 58.7734 -44.31 84.7504 -44.3116 140.074 GPRESSURE: 4162400 393.886 90.4256 147.313 159.82 71.9868 14.5929 111.368 -58.6135 145.926 PRESSAVG: 4162400 79.9346 1.80404 -11.0687 1.80408 -58.3692 -4.70871 -11.0686 -4.70877 -37.0118 GPRESSAVG: 4162400 78.7301 4.60779 -10.034 -0.838076 -58.147 -4.02166 -11.6625 -6.18657 -36.4393 TIMING: 4162400 CPU: 12370.3, 0.00296899/step Wall: 12370.3, 0.00296899/step, 0.690784 hours remaining, 207.312500 MB of memory in use. ENERGY: 4162400 747.7966 2064.7827 1925.0759 105.4427 -206106.5252 17965.3396 0.0000 0.0000 34325.4415 -148972.6463 299.7726 -183298.0878 -148878.8707 299.5723 174.4892 203.9331 558871.8536 -5.1488 -5.2854 PRESSURE: 4162600 173.319 15.7192 16.3299 15.719 -34.6499 22.0543 16.33 22.055 -147.806 GPRESSURE: 4162600 255.019 81.9655 -69.2724 -21.8609 19.8108 -40.1305 27.4019 -26.0749 -169.974 PRESSAVG: 4162600 2.27127 0.773773 -23.0964 0.773806 29.2948 56.4169 -23.0964 56.417 7.25468 GPRESSAVG: 4162600 2.07295 -1.27284 -22.7062 1.10552 29.6426 53.4981 -23.2762 58.8282 7.17441 TIMING: 4162600 CPU: 12370.9, 0.00294958/step Wall: 12370.9, 0.00294958/step, 0.686105 hours remaining, 207.312500 MB of memory in use. ENERGY: 4162600 733.5537 2105.6920 1934.5698 115.9230 -205993.6839 17673.7024 0.0000 0.0000 34439.2612 -148990.9817 300.7666 -183430.2429 -148899.6515 299.8358 -3.0457 34.9519 557690.2888 12.9402 12.9633 PRESSURE: 4162800 -82.4241 -3.27009 193.474 -3.2712 -121.425 84.0853 193.474 84.0848 236.147 GPRESSURE: 4162800 4.67559 -100.667 165.536 130.631 -101.332 140.756 124.807 79.2215 227.588 PRESSAVG: 4162800 18.4681 35.2253 -41.5432 35.2252 -61.9788 10.1145 -41.5432 10.1145 15.3627 GPRESSAVG: 4162800 20.6428 32.9453 -42.736 39.1013 -62.5491 12.3852 -41.0457 10.0496 13.703 TIMING: 4162800 CPU: 12371.5, 0.00297217/step Wall: 12371.5, 0.00297217/step, 0.691195 hours remaining, 207.312500 MB of memory in use. ENERGY: 4162800 739.2323 2008.5179 1933.2643 106.5062 -205847.2016 17926.8021 0.0000 0.0000 34173.9992 -148958.8796 298.4500 -183132.8788 -148849.8971 300.2594 10.7662 43.6440 557910.0584 -9.3827 -9.4011 PRESSURE: 4163000 67.9893 -51.2652 131.484 -51.2643 -90.2576 108.656 131.483 108.657 -356.998 GPRESSURE: 4163000 109.484 -31.4739 93.4231 -99.9721 -71.7772 9.51413 124.236 200.933 -319.003 PRESSAVG: 4163000 -11.8448 1.25414 4.85053 1.25418 -11.5481 51.6644 4.85055 51.6643 20.9902 GPRESSAVG: 4163000 -12.4759 2.79256 5.57276 0.23712 -12.5012 51.9909 4.57148 50.6504 21.9921 TIMING: 4163000 CPU: 12372.1, 0.00294858/step Wall: 12372.1, 0.00294858/step, 0.685545 hours remaining, 207.312500 MB of memory in use. ENERGY: 4163000 726.7728 2042.7910 1970.5943 116.9476 -205889.1225 17603.0454 0.0000 0.0000 34490.3371 -148938.6342 301.2127 -183428.9714 -148834.0010 300.1644 -126.4220 -93.7654 557695.2621 -0.8009 -0.9950 PRESSURE: 4163200 63.7436 185.227 -93.1709 185.227 -296.08 86.9224 -93.1714 86.9223 40.9011 GPRESSURE: 4163200 32.5611 205.254 -7.05022 258.366 -254.899 109.732 -67.7885 79.1577 133.042 PRESSAVG: 4163200 35.1348 19.1044 23.6887 19.1045 -34.8848 -30.2284 23.6887 -30.2285 -37.3076 GPRESSAVG: 4163200 34.9722 18.9332 24.4171 17.7811 -33.791 -30.812 22.9707 -30.4449 -37.6517 TIMING: 4163200 CPU: 12372.7, 0.00294722/step Wall: 12372.7, 0.00294722/step, 0.685065 hours remaining, 207.312500 MB of memory in use. ENERGY: 4163200 725.0822 2027.5629 1931.1153 111.2944 -205945.3277 17787.5588 0.0000 0.0000 34238.7492 -149123.9649 299.0155 -183362.7141 -149030.0778 299.6703 -63.8118 -29.7650 559038.8286 -12.3525 -12.1568 PRESSURE: 4163400 107.291 -122.53 -81.1695 -122.53 -24.8595 -6.58966 -81.1681 -6.58941 -38.557 GPRESSURE: 4163400 182.129 -192.077 -105.21 -139.078 -0.384909 3.49695 -47.6229 -43.0268 -46.2008 PRESSAVG: 4163400 34.6518 9.97151 -1.80079 9.9715 -14.2575 -33.851 -1.80079 -33.8509 -28.4934 GPRESSAVG: 4163400 35.4535 10.249 -0.742253 10.9383 -15.0401 -33.973 -1.71683 -32.9476 -28.4435 TIMING: 4163400 CPU: 12373.2, 0.00290138/step Wall: 12373.2, 0.00290138/step, 0.674249 hours remaining, 207.312500 MB of memory in use. ENERGY: 4163400 740.5820 2126.4107 1966.9443 108.7988 -206238.0307 17852.4802 0.0000 0.0000 34476.4026 -148966.4121 301.0910 -183442.8147 -148870.3842 299.7721 14.6248 45.1812 557070.9398 -2.6997 -2.6767 PRESSURE: 4163600 -91.8627 -74.0167 17.5164 -74.0175 -66.4228 -138.587 17.5157 -138.588 -124.379 GPRESSURE: 4163600 -64.7112 -42.4627 0.674803 -149.82 -45.5054 -142.97 -5.20776 -76.824 -72.5443 PRESSAVG: 4163600 75.1602 -2.92379 -13.7123 -2.92376 -4.9321 -21.974 -13.7123 -21.9741 -60.6373 GPRESSAVG: 4163600 73.6676 -3.89993 -17.1866 -1.75542 -3.81464 -19.1097 -12.8237 -23.09 -60.5236 TIMING: 4163600 CPU: 12373.8, 0.00292004/step Wall: 12373.8, 0.00292004/step, 0.678422 hours remaining, 207.312500 MB of memory in use. ENERGY: 4163600 763.1656 2063.3676 1940.8855 113.2465 -206102.5110 17641.2337 0.0000 0.0000 34430.6138 -149149.9983 300.6911 -183580.6121 -149053.1566 300.0650 -94.2216 -60.9203 557178.7863 3.1969 3.1098 PRESSURE: 4163800 203.532 43.8896 -80.3321 43.8896 -96.7489 84.7332 -80.3313 84.7354 87.1744 GPRESSURE: 4163800 266.268 191.045 11.3314 32.3374 -57.2899 167.422 -140.395 7.21629 88.9482 PRESSAVG: 4163800 -71.5045 -17.1586 -45.9428 -17.1585 48.6253 -34.1519 -45.9429 -34.152 22.4186 GPRESSAVG: 4163800 -71.2127 -16.2787 -45.9099 -17.9451 48.7747 -37.3948 -48.7651 -30.6907 22.1415 TIMING: 4163800 CPU: 12374.4, 0.00292342/step Wall: 12374.4, 0.00292342/step, 0.679044 hours remaining, 207.312500 MB of memory in use. ENERGY: 4163800 720.0861 2119.7957 1941.6729 106.5882 -206131.9405 17870.1812 0.0000 0.0000 34238.6745 -149134.9418 299.0149 -183373.6164 -149043.0898 299.7333 64.6524 99.3087 557734.7971 -0.1535 -0.0988 PRESSURE: 4164000 -162.404 -31.5867 40.5322 -31.5868 -176.147 -1.68183 40.5321 -1.68087 -258.075 GPRESSURE: 4164000 -120.411 -35.3355 74.4479 -23.7136 -150.493 -45.5772 33.9875 -22.7387 -220.11 PRESSAVG: 4164000 3.09671 -40.5397 -18.4487 -40.5397 -57.5443 -5.85466 -18.4487 -5.85458 12.7172 GPRESSAVG: 4164000 3.06081 -39.9363 -17.3388 -41.0384 -57.5795 -5.2993 -17.2748 -6.3067 12.3518 TIMING: 4164000 CPU: 12375, 0.00297151/step Wall: 12375, 0.00297151/step, 0.69005 hours remaining, 207.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4164000 805.0145 2079.0527 1928.2315 118.8466 -205799.4748 17495.7304 0.0000 0.0000 34304.2526 -149068.3466 299.5876 -183372.5992 -148962.0403 299.9339 -198.8754 -163.6715 557885.7315 -13.9101 -14.0556 PRESSURE: 4164200 27.6112 -72.3346 51.3266 -72.3331 -170.486 -145.606 51.3269 -145.606 144.282 GPRESSURE: 4164200 121.747 -152.997 86.8814 -62.5864 -164.544 -120.777 20.167 -191.541 136.186 PRESSAVG: 4164200 20.9604 -12.0187 34.1227 -12.0187 -4.79793 -20.6087 34.1228 -20.6088 -44.0496 GPRESSAVG: 4164200 19.758 -11.1751 34.791 -11.9756 -4.81811 -19.5258 36.0944 -23.4177 -42.8807 TIMING: 4164200 CPU: 12375.6, 0.0029609/step Wall: 12375.6, 0.0029609/step, 0.687422 hours remaining, 207.312500 MB of memory in use. ENERGY: 4164200 752.5509 2146.8880 1964.6525 116.4220 -206476.1259 18028.8536 0.0000 0.0000 34361.3077 -149105.4511 300.0858 -183466.7588 -149003.8652 300.0960 0.4689 31.1296 557528.3557 -9.2957 -9.3136 LDB: ============= START OF LOAD BALANCING ============== 12379.1 LDB: ============== END OF LOAD BALANCING =============== 12379.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12379.1 LDB: ============= START OF LOAD BALANCING ============== 12379.4 LDB: Largest compute 4809 load 0.024118 is 20.4% of average load 0.118230 LDB: Average compute 0.001732 is 1.5% of average load 0.118230 LDB: TIME 12379.4 LOAD: AVG 0.11823 MAX 0.196768 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.66 MB LDB: TIME 12379.4 LOAD: AVG 0.11823 MAX 0.196768 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.66 MB LDB: TIME 12379.4 LOAD: AVG 0.11823 MAX 0.196768 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.66 MB LDB: ============== END OF LOAD BALANCING =============== 12379.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12379.4 PRESSURE: 4164400 42.2447 -8.75672 11.1115 -8.75589 2.78005 -131.74 11.1114 -131.74 70.5384 GPRESSURE: 4164400 100.716 33.2677 -53.0651 30.8668 39.5798 -104.201 110.144 -157.863 62.8699 PRESSAVG: 4164400 -4.11892 -43.5826 28.3306 -43.5826 47.6272 -12.4422 28.3306 -12.4423 -17.5126 GPRESSAVG: 4164400 -3.59801 -45.1389 27.3198 -42.6422 48.5452 -10.7955 27.748 -13.0336 -19.0396 TIMING: 4164400 CPU: 12376.2, 0.00300743/step Wall: 12376.2, 0.00300743/step, 0.698058 hours remaining, 206.742188 MB of memory in use. ENERGY: 4164400 744.6941 2098.0046 1932.9958 124.6727 -205957.6649 17774.3115 0.0000 0.0000 34186.4139 -149096.5723 298.5585 -183282.9862 -148995.8352 299.1307 38.5210 67.7220 558612.4492 8.6652 8.6359 PRESSURE: 4164600 198.379 6.78151 57.9202 6.78206 64.1522 -138.609 57.92 -138.606 -26.3707 GPRESSURE: 4164600 297.193 -101.106 47.0497 29.9654 48.6784 -120.815 83.4345 -178.201 -7.41238 PRESSAVG: 4164600 -6.81761 -10.8787 0.786993 -10.8786 -5.40507 -49.1833 0.787034 -49.1833 6.67612 GPRESSAVG: 4164600 -5.84432 -10.4229 -0.0334433 -10.458 -7.75076 -52.0273 1.13182 -45.7599 8.03839 TIMING: 4164600 CPU: 12376.8, 0.00293865/step Wall: 12376.8, 0.00293865/step, 0.681929 hours remaining, 206.742188 MB of memory in use. ENERGY: 4164600 734.3488 2052.3879 1951.8286 123.5753 -206136.8101 17903.7065 0.0000 0.0000 34250.0424 -149120.9206 299.1141 -183370.9630 -149024.2422 299.0582 78.7202 112.8196 557664.8531 -1.8489 -1.8522 PRESSURE: 4164800 106.778 -39.3216 -82.489 -39.3224 -180.61 -113.746 -82.4888 -113.746 144.915 GPRESSURE: 4164800 102.012 -39.2276 -126.617 -27.6786 -172.096 -127.902 -78.4892 -121.963 229.388 PRESSAVG: 4164800 62.2475 53.2797 -22.5451 53.2797 -1.06587 -55.4118 -22.545 -55.4119 -40.9514 GPRESSAVG: 4164800 61.7873 54.0947 -20.8273 53.7135 -0.383281 -53.6968 -23.9371 -57.5405 -41.5292 TIMING: 4164800 CPU: 12377.4, 0.00291332/step Wall: 12377.4, 0.00291332/step, 0.67589 hours remaining, 206.781250 MB of memory in use. ENERGY: 4164800 747.9830 2075.3679 1955.4556 115.0500 -206139.0543 17806.1234 0.0000 0.0000 34407.3577 -149031.7166 300.4880 -183439.0743 -148934.5592 299.1840 23.6944 53.1011 556936.9721 6.7434 6.6250 PRESSURE: 4165000 -46.7375 -19.8461 143.553 -19.8468 159.526 61.4075 143.553 61.4071 -131.696 GPRESSURE: 4165000 -0.118067 -38.1163 176.262 -26.9108 163.244 17.1109 145.394 94.7725 -92.3929 PRESSAVG: 4165000 68.6941 -13.8765 13.9283 -13.8765 37.1496 -19.9389 13.9282 -19.9389 -43.6986 GPRESSAVG: 4165000 68.3758 -12.3784 13.9176 -13.7106 36.8015 -19.3643 15.8908 -20.98 -43.5229 TIMING: 4165000 CPU: 12377.9, 0.00294166/step Wall: 12377.9, 0.00294166/step, 0.682301 hours remaining, 206.781250 MB of memory in use. ENERGY: 4165000 738.0488 2128.6663 1930.4169 130.8308 -206245.9835 17866.6197 0.0000 0.0000 34501.6861 -148949.7148 301.3118 -183451.4009 -148852.5563 300.1351 -6.3024 23.5777 558724.6598 20.7150 20.5515 PRESSURE: 4165200 231.99 -39.3526 115.452 -39.3535 -5.01307 33.6206 115.452 33.6212 252.659 GPRESSURE: 4165200 281.58 39.7291 75.1837 -34.3092 1.45966 -3.78436 217.449 33.9027 295.605 PRESSAVG: 4165200 56.6965 -6.6121 57.9037 -6.61216 -13.181 14.4747 57.9038 14.4749 -73.1056 GPRESSAVG: 4165200 56.9039 -7.05985 60.0778 -8.0877 -13.2846 14.2146 56.0246 15.1055 -73.6164 TIMING: 4165200 CPU: 12378.5, 0.00297192/step Wall: 12378.5, 0.00297192/step, 0.689156 hours remaining, 206.781250 MB of memory in use. ENERGY: 4165200 730.5938 2106.2523 1942.1360 116.9282 -206525.4794 18045.8388 0.0000 0.0000 34446.9420 -149136.7883 300.8337 -183583.7303 -149037.2248 299.3980 159.8788 192.8815 557725.8874 -9.8634 -9.9990 PRESSURE: 4165400 149.443 -75.4207 55.5394 -75.42 21.0056 66.7466 55.541 66.7476 -186.779 GPRESSURE: 4165400 188.244 -101.535 20.5719 -62.8758 -8.10384 71.2041 110.347 84.0657 -110.443 PRESSAVG: 4165400 47.2715 5.42299 34.3359 5.42299 -59.2627 3.8863 34.3358 3.88631 -16.7304 GPRESSAVG: 4165400 48.4364 3.56984 33.1035 5.99113 -60.0016 3.41895 35.8032 3.66052 -17.4238 TIMING: 4165400 CPU: 12379.1, 0.0029405/step Wall: 12379.1, 0.0029405/step, 0.681706 hours remaining, 206.781250 MB of memory in use. ENERGY: 4165400 751.0494 2130.3879 1935.0373 108.1032 -206119.1695 17787.0919 0.0000 0.0000 34418.5921 -148988.9077 300.5861 -183407.4998 -148893.2048 300.0955 -5.4435 23.2324 556815.5974 -9.5739 -9.6630 PRESSURE: 4165600 113.184 -108.033 -80.9278 -108.034 11.1238 -88.0834 -80.9265 -88.0839 -50.736 GPRESSURE: 4165600 99.0684 -12.964 -36.8585 -140.917 88.0669 -134.004 -80.9675 -29.9969 -2.17804 PRESSAVG: 4165600 30.0073 16.0228 54.2168 16.0227 -13.6723 16.4974 54.2168 16.4974 -22.4353 GPRESSAVG: 4165600 28.6482 15.6927 54.4534 16.6795 -12.6865 14.9317 52.758 18.4296 -22.2289 TIMING: 4165600 CPU: 12379.7, 0.00295218/step Wall: 12379.7, 0.00295218/step, 0.684249 hours remaining, 206.781250 MB of memory in use. ENERGY: 4165600 750.8754 2073.2739 1959.0575 109.1077 -206290.3274 17995.3316 0.0000 0.0000 34585.7692 -148816.9122 302.0461 -183402.6814 -148720.3819 300.8260 24.5241 61.6524 558109.7505 -2.0334 -2.0891 PRESSURE: 4165800 -94.0851 -32.126 -196.326 -32.1264 -212.416 -119.804 -196.326 -119.806 87.025 GPRESSURE: 4165800 -80.7142 43.9876 -234.692 -91.6157 -155.904 -95.3284 -173.715 -128.168 128.231 PRESSAVG: 4165800 -19.0819 -20.6974 -33.2502 -20.6974 19.4039 0.720441 -33.2502 0.720519 12.5263 GPRESSAVG: 4165800 -18.6291 -19.739 -34.8541 -22.7036 19.6182 3.17483 -33.3104 -0.497482 12.1357 TIMING: 4165800 CPU: 12380.3, 0.00293595/step Wall: 12380.3, 0.00293595/step, 0.680324 hours remaining, 206.781250 MB of memory in use. ENERGY: 4165800 781.1563 2094.6334 1931.1063 117.0712 -205934.8722 17759.2770 0.0000 0.0000 34386.1630 -148865.4650 300.3029 -183251.6280 -148774.5163 300.5845 -73.1587 -36.1290 557208.3916 4.2828 4.3749 PRESSURE: 4166000 -97.0087 52.5127 -70.8631 52.5113 39.802 -69.2783 -70.8643 -69.2789 -117.022 GPRESSURE: 4166000 -39.464 135.858 -60.5205 -34.4803 31.7342 -60.0567 -167.44 -135.312 -69.3768 PRESSAVG: 4166000 -32.8244 -8.90764 -25.4996 -8.90765 -22.3009 -8.91957 -25.4995 -8.9195 51.2724 GPRESSAVG: 4166000 -31.5762 -10.8738 -24.3866 -6.49473 -23.0519 -8.63341 -24.5963 -12.0773 51.2291 TIMING: 4166000 CPU: 12380.9, 0.00293569/step Wall: 12380.9, 0.00293569/step, 0.6801 hours remaining, 206.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4166000 733.7377 2086.5009 1940.5616 119.0104 -205702.4891 17775.2567 0.0000 0.0000 34353.9212 -148693.5007 300.0213 -183047.4219 -148588.2473 300.3271 -58.0764 -25.7022 559116.8281 -1.2843 -1.1330 PRESSURE: 4166200 -71.5621 -88.1274 66.7425 -88.1271 -59.1821 -6.43208 66.7433 -6.43067 -29.3421 GPRESSURE: 4166200 -20.8857 -204.14 82.991 -32.8534 -44.4993 -14.5167 139.375 76.6515 2.25084 PRESSAVG: 4166200 25.1454 -3.92936 -27.1808 -3.92929 2.5291 -9.82679 -27.1807 -9.8267 -42.9378 GPRESSAVG: 4166200 22.4037 -3.23998 -27.128 -4.81528 3.94027 -15.0622 -26.5654 -7.44669 -41.79 TIMING: 4166200 CPU: 12381.5, 0.00292437/step Wall: 12381.5, 0.00292437/step, 0.677317 hours remaining, 206.781250 MB of memory in use. ENERGY: 4166200 753.3789 2079.6241 1912.4106 104.0252 -205581.4888 17663.6349 0.0000 0.0000 34505.3979 -148563.0172 301.3442 -183068.4151 -148465.3870 301.1052 -53.3621 -21.0447 558950.2407 -5.0878 -5.1487 PRESSURE: 4166400 -201.124 227.291 -137.338 227.291 -191.43 -146.356 -137.339 -146.357 21.8244 GPRESSURE: 4166400 -190.406 199.87 -182.651 263.732 -109.382 -92.871 -34.3208 -118.317 30.0304 PRESSAVG: 4166400 -46.9671 44.6705 -57.0459 44.6705 -18.9019 65.4551 -57.046 65.4551 55.4305 GPRESSAVG: 4166400 -45.6695 46.719 -55.2134 43.5325 -18.6365 68.4975 -58.719 65.4935 53.9963 TIMING: 4166400 CPU: 12382.1, 0.00294116/step Wall: 12382.1, 0.00294116/step, 0.681042 hours remaining, 206.781250 MB of memory in use. ENERGY: 4166400 765.2506 2066.5079 1914.4414 115.6717 -205476.5279 17501.0958 0.0000 0.0000 34565.3527 -148548.2079 301.8678 -183113.5606 -148446.8643 300.5502 -123.5765 -89.9192 557470.6513 -3.4795 -3.4366 PRESSURE: 4166600 263.972 72.5666 -39.7735 72.5677 141.43 -191.3 -39.773 -191.3 126.234 GPRESSURE: 4166600 325.559 89.9913 -63.5808 86.7734 141.409 -156.612 12.2026 -192.947 160.565 PRESSAVG: 4166600 35.0511 48.0963 15.1367 48.0963 -62.0426 -46.1573 15.1367 -46.1574 21.7317 GPRESSAVG: 4166600 35.6819 44.6471 14.2355 48.5021 -63.009 -46.5194 16.6649 -47.3664 22.1137 TIMING: 4166600 CPU: 12382.7, 0.0029291/step Wall: 12382.7, 0.0029291/step, 0.678088 hours remaining, 206.781250 MB of memory in use. ENERGY: 4166600 743.1648 2132.0800 1959.3162 128.2420 -205785.5186 17904.5653 0.0000 0.0000 34449.1432 -148469.0071 300.8529 -182918.1503 -148374.9687 301.7139 177.2123 209.1777 556899.8103 -1.7533 -1.7378 PRESSURE: 4166800 177.671 140.168 8.97542 140.168 -97.7558 10.7112 8.97528 10.7101 125.618 GPRESSURE: 4166800 235.264 134.515 13.3797 172.011 -40.0946 21.5895 -7.15731 63.8619 101.078 PRESSAVG: 4166800 5.74497 -11.5075 -5.8856 -11.5074 -18.219 -26.3429 -5.88564 -26.3428 -15.7055 GPRESSAVG: 4166800 5.30087 -10.3946 -7.57585 -11.1219 -18.2035 -26.9625 -5.47259 -23.233 -15.3793 TIMING: 4166800 CPU: 12383.2, 0.00292161/step Wall: 12383.2, 0.00292161/step, 0.67619 hours remaining, 206.781250 MB of memory in use. ENERGY: 4166800 735.7808 2049.8355 1901.6650 116.0043 -205565.1596 17686.0881 0.0000 0.0000 34534.5273 -148541.2586 301.5986 -183075.7859 -148439.7592 300.9353 68.5111 98.7492 558153.9494 -9.3932 -9.4273 PRESSURE: 4167000 -81.9032 129.081 -68.0696 129.081 -155.059 0.974734 -68.0697 0.975323 -69.2665 GPRESSURE: 4167000 -49.3263 55.5552 -78.8358 184.319 -107.343 -62.4602 -66.3484 -9.11684 -52.4567 PRESSAVG: 4167000 29.3914 22.7861 -69.0987 22.7861 -52.5114 17.7046 -69.0988 17.7046 43.3008 GPRESSAVG: 4167000 29.8799 21.4407 -66.9384 23.9054 -51.7848 18.7827 -66.6158 15.6488 42.1425 TIMING: 4167000 CPU: 12383.8, 0.0029089/step Wall: 12383.8, 0.0029089/step, 0.673087 hours remaining, 206.781250 MB of memory in use. ENERGY: 4167000 738.2000 2118.5239 1927.6267 133.2933 -205803.2714 17830.2948 0.0000 0.0000 34368.8115 -148686.5211 300.1514 -183055.3326 -148587.5634 300.9982 -102.0764 -69.7087 560118.4776 6.7269 6.7459 PRESSURE: 4167200 -32.5326 113.611 -18.0944 113.61 -21.4028 24.9278 -18.0949 24.9293 220.192 GPRESSURE: 4167200 -1.16557 6.88421 37.1124 196.223 19.0457 10.969 24.8117 78.9411 257.851 PRESSAVG: 4167200 -8.88382 24.51 -42.6401 24.5099 -3.79839 -31.9079 -42.6401 -31.9079 15.891 GPRESSAVG: 4167200 -9.01981 25.5669 -43.8046 24.7679 -4.61874 -32.3034 -44.5238 -30.9353 16.8166 TIMING: 4167200 CPU: 12384.4, 0.00291089/step Wall: 12384.4, 0.00291089/step, 0.673386 hours remaining, 206.781250 MB of memory in use. ENERGY: 4167200 753.9599 2046.0961 1914.6011 116.7587 -205717.5440 17907.4897 0.0000 0.0000 34324.8620 -148653.7764 299.7676 -182978.6384 -148550.4998 300.2389 55.4187 91.9102 557861.4088 1.0696 1.0594 PRESSURE: 4167400 -82.4521 121.627 -32.6806 121.628 125.376 -8.00002 -32.6805 -7.99794 34.1139 GPRESSURE: 4167400 -53.1674 193.502 -21.5674 95.761 138.887 -32.2952 -135.671 -28.8154 82.7639 PRESSAVG: 4167400 -55.8854 31.2568 -5.94137 31.2569 5.55356 3.98621 -5.94134 3.9862 84.2596 GPRESSAVG: 4167400 -55.0839 33.1431 -6.74303 31.9037 5.46555 4.91876 -5.6939 3.05664 83.832 TIMING: 4167400 CPU: 12385, 0.00289203/step Wall: 12385, 0.00289203/step, 0.668863 hours remaining, 206.781250 MB of memory in use. ENERGY: 4167400 711.1677 2036.7334 1939.9393 117.1394 -205523.8957 17806.8124 0.0000 0.0000 34212.1994 -148699.9041 298.7836 -182912.1035 -148592.2668 299.6122 25.6791 56.1610 559969.0499 11.3093 11.4046 PRESSURE: 4167600 242.408 -45.0317 -109.148 -45.0321 198.429 -61.227 -109.149 -61.2251 164.715 GPRESSURE: 4167600 266.328 -31.4699 -125.107 -3.73012 210.139 -52.5677 -121.188 -95.9451 211.633 PRESSAVG: 4167600 -31.1076 -28.4524 -23.9316 -28.4524 89.6542 -10.4351 -23.9314 -10.4351 -34.052 GPRESSAVG: 4167600 -32.2885 -28.9723 -24.8605 -29.8503 89.8551 -11.3598 -23.9856 -10.9226 -33.0625 TIMING: 4167600 CPU: 12385.6, 0.00290169/step Wall: 12385.6, 0.00290169/step, 0.670935 hours remaining, 206.781250 MB of memory in use. ENERGY: 4167600 771.8575 2062.9822 1910.7430 108.8524 -206275.7666 18168.5694 0.0000 0.0000 34436.5819 -148816.1802 300.7432 -183252.7621 -148709.4866 300.5358 201.8505 229.3667 558665.7137 8.1649 8.1680 PRESSURE: 4167800 -96.3339 114.603 70.0065 114.605 -151.157 50.0524 70.0066 50.0514 117.499 GPRESSURE: 4167800 -37.0476 61.9334 47.8944 83.5942 -147.72 55.2397 -5.89017 0.339305 152.703 PRESSAVG: 4167800 20.8425 40.686 -46.6559 40.686 -40.364 15.8374 -46.6559 15.8376 -1.83957 GPRESSAVG: 4167800 22.1893 41.5059 -46.4554 39.3387 -40.1933 16.219 -45.5029 16.3542 -2.86272 TIMING: 4167800 CPU: 12386.1, 0.00291669/step Wall: 12386.1, 0.00291669/step, 0.674242 hours remaining, 206.781250 MB of memory in use. ENERGY: 4167800 723.6965 2054.1196 1936.3465 111.6678 -205946.9561 17734.6829 0.0000 0.0000 34558.4120 -148828.0307 301.8072 -183386.4427 -148726.7121 300.2745 -43.3304 -10.6881 557689.3802 -7.1204 -6.9556 PRESSURE: 4168000 -110.854 241.168 -118.296 241.17 -185.619 41.4221 -118.294 41.4221 131.075 GPRESSURE: 4168000 -69.5712 165.703 -141.218 197.618 -126.284 -33.1305 -136.269 126.286 113.338 PRESSAVG: 4168000 63.6877 21.6189 -43.6568 21.619 -1.6685 35.4756 -43.6568 35.4756 -61.814 GPRESSAVG: 4168000 63.3911 19.5636 -42.7197 22.1955 -1.7154 35.155 -44.5536 35.9348 -61.5331 TIMING: 4168000 CPU: 12386.7, 0.00292502/step Wall: 12386.7, 0.00292502/step, 0.676006 hours remaining, 206.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4168000 776.4006 2039.5496 1902.1951 111.8664 -205887.0337 17763.7132 0.0000 0.0000 34586.6805 -148706.6283 302.0541 -183293.3089 -148612.2358 300.5246 -55.1326 -27.5059 558791.4933 0.0684 0.0475 PRESSURE: 4168200 55.2406 -12.8539 186.857 -12.8539 -76.2803 162.556 186.858 162.557 -143.554 GPRESSURE: 4168200 62.3785 -108.222 184.986 96.6559 -9.28786 202.508 155.094 74.7176 -122.181 PRESSAVG: 4168200 2.81261 -7.27847 19.0817 -7.2785 27.7399 43.6802 19.0817 43.6802 -45.8086 GPRESSAVG: 4168200 1.21666 -6.25559 18.0502 -5.59682 28.9383 43.6144 20.2933 44.3647 -44.777 TIMING: 4168200 CPU: 12387.3, 0.00293065/step Wall: 12387.3, 0.00293065/step, 0.677142 hours remaining, 206.781250 MB of memory in use. ENERGY: 4168200 736.0075 2071.5446 1931.4423 111.1850 -205491.5931 17557.3717 0.0000 0.0000 34474.1974 -148609.8446 301.0717 -183084.0420 -148510.8721 301.0975 -54.8646 -23.0301 557228.9379 -5.0854 -4.8740 LDB: ============= START OF LOAD BALANCING ============== 12390.9 LDB: ============== END OF LOAD BALANCING =============== 12390.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12390.9 LDB: ============= START OF LOAD BALANCING ============== 12391.2 LDB: Largest compute 4809 load 0.025301 is 21.4% of average load 0.118340 LDB: Average compute 0.001735 is 1.5% of average load 0.118340 LDB: TIME 12391.2 LOAD: AVG 0.11834 MAX 0.19695 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.805 MB LDB: TIME 12391.2 LOAD: AVG 0.11834 MAX 0.19695 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.008 MB LDB: TIME 12391.2 LOAD: AVG 0.11834 MAX 0.19695 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.008 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12391.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12391.2 PRESSURE: 4168400 7.3996 -6.15382 70.4665 -6.15411 206.716 23.4892 70.4675 23.4895 -167.557 GPRESSURE: 4168400 -13.9641 -51.3376 46.4627 -44.4829 285.741 -49.1862 100.411 105.409 -122.677 PRESSAVG: 4168400 52.5259 7.18206 -17.4839 7.18199 47.3518 47.018 -17.4839 47.018 -34.4694 GPRESSAVG: 4168400 54.0909 7.93102 -16.2207 7.20022 45.9318 46.6593 -17.262 46.1056 -34.6029 TIMING: 4168400 CPU: 12387.9, 0.00301661/step Wall: 12387.9, 0.00301661/step, 0.696836 hours remaining, 208.023438 MB of memory in use. ENERGY: 4168400 739.7405 2155.6906 1961.6208 108.9687 -205920.5157 18022.3765 0.0000 0.0000 34247.8264 -148684.2921 299.0948 -182932.1186 -148589.7230 300.9058 15.5196 49.6998 559465.8994 21.8028 21.8066 PRESSURE: 4168600 29.3842 159.517 83.8193 159.516 -301.675 -40.5064 83.82 -40.506 -277.914 GPRESSURE: 4168600 26.7616 140.047 122.767 195.805 -221.63 -34.6658 68.8602 -135.78 -257.212 PRESSAVG: 4168600 31.6683 -10.7345 -25.9774 -10.7344 -11.2929 -20.9181 -25.9774 -20.9182 0.735942 GPRESSAVG: 4168600 31.7297 -11.0487 -25.6326 -10.4485 -10.8139 -19.0505 -26.2943 -22.7317 0.462622 TIMING: 4168600 CPU: 12388.5, 0.00293621/step Wall: 12388.5, 0.00293621/step, 0.678102 hours remaining, 208.093750 MB of memory in use. ENERGY: 4168600 754.1234 2149.2361 1949.2567 116.8752 -205680.9113 17631.7581 0.0000 0.0000 34306.5297 -148773.1322 299.6075 -183079.6619 -148677.9783 300.7080 -183.4015 -150.6933 559104.6468 7.0371 7.1262 PRESSURE: 4168800 -134.072 173.679 -70.3573 173.679 -2.59552 83.0806 -70.3584 83.0801 46.6002 GPRESSURE: 4168800 -112.053 136.118 6.17577 179.11 67.767 68.1049 -107.349 15.8204 55.4069 PRESSAVG: 4168800 -15.7184 -43.8699 -51.208 -43.8699 -17.6315 5.42878 -51.2081 5.42879 50.7664 GPRESSAVG: 4168800 -16.2926 -43.9765 -50.8071 -44.5261 -17.4167 5.29227 -52.4091 5.81946 51.1767 TIMING: 4168800 CPU: 12389.1, 0.00292464/step Wall: 12389.1, 0.00292464/step, 0.675268 hours remaining, 208.093750 MB of memory in use. ENERGY: 4168800 744.3992 2078.2649 1943.0005 109.8071 -205800.1050 17751.8270 0.0000 0.0000 34249.2824 -148923.5238 299.1075 -183172.8062 -148823.4026 300.6328 -30.0224 3.7068 557966.1169 5.8055 5.8225 PRESSURE: 4169000 -252.491 -6.94965 -9.66174 -6.95008 110.547 -99.3862 -9.65986 -99.3862 -27.8532 GPRESSURE: 4169000 -200.609 -78.3896 -36.7328 25.0386 118.235 -82.1568 11.1585 -121.071 6.66025 PRESSAVG: 4169000 -82.0265 -14.7477 -6.35343 -14.7477 47.373 74.1834 -6.35335 74.1835 17.569 GPRESSAVG: 4169000 -80.9118 -12.7394 -8.02203 -13.7722 47.1778 72.0355 -4.08447 76.3609 16.3625 TIMING: 4169000 CPU: 12389.7, 0.00293854/step Wall: 12389.7, 0.00293854/step, 0.678312 hours remaining, 208.093750 MB of memory in use. ENERGY: 4169000 770.3580 2060.7600 1939.7328 106.0712 -205838.1754 17735.1061 0.0000 0.0000 34288.6687 -148937.4786 299.4515 -183226.1473 -148839.8650 300.2896 -56.5990 -25.2382 558733.6954 -5.6948 -5.7905 PRESSURE: 4169200 7.80037 -57.2295 -70.2314 -57.2292 -65.112 88.0009 -70.2308 88.0008 -96.7225 GPRESSURE: 4169200 92.1406 -12.5241 -72.1025 0.554043 -92.7309 82.4906 -67.1109 104.64 -63.4014 PRESSAVG: 4169200 44.1673 -11.68 24.9443 -11.68 80.2056 16.2322 24.9444 16.2323 -95.451 GPRESSAVG: 4169200 43.3094 -13.2241 25.7571 -13.3947 80.0822 17.1827 23.5611 15.8197 -94.9453 TIMING: 4169200 CPU: 12390.3, 0.00291194/step Wall: 12390.3, 0.00291194/step, 0.67201 hours remaining, 208.093750 MB of memory in use. ENERGY: 4169200 750.0572 2085.8970 1915.2391 121.4630 -205930.1127 17795.1416 0.0000 0.0000 34197.7045 -149064.6103 298.6571 -183262.3148 -148968.3664 299.9712 -51.3447 -21.3306 558967.9105 9.6406 9.4821 PRESSURE: 4169400 346.439 153.983 43.2196 153.982 118.72 34.8056 43.2185 34.8039 95.3898 GPRESSURE: 4169400 392.513 247.218 106.262 106.984 154.239 64.2792 27.2215 24.6725 114.946 PRESSAVG: 4169400 71.9795 7.89034 11.4625 7.89037 -68.6334 -13.277 11.4626 -13.277 -21.3279 GPRESSAVG: 4169400 73.6483 9.88794 13.497 8.7905 -68.0746 -14.0305 10.493 -12.3216 -23.0635 TIMING: 4169400 CPU: 12390.8, 0.00292525/step Wall: 12390.8, 0.00292525/step, 0.674921 hours remaining, 208.093750 MB of memory in use. ENERGY: 4169400 740.5912 2040.5997 1920.1040 116.9818 -206379.7849 18102.0231 0.0000 0.0000 34368.6330 -149090.8522 300.1498 -183459.4852 -149004.3974 298.8386 186.8494 220.5664 558886.7772 -5.9939 -5.8299 PRESSURE: 4169600 115.425 -32.023 -157.525 -32.0227 3.93922 -105.293 -157.526 -105.293 -150.154 GPRESSURE: 4169600 182.209 -125.875 -164.182 -8.97108 34.0735 -111.334 -148.269 -95.9864 -133.215 PRESSAVG: 4169600 23.6789 48.9114 17.1708 48.9115 13.2187 19.0475 17.1709 19.0474 -25.8192 GPRESSAVG: 4169600 22.6028 47.9291 14.4102 49.6852 12.5944 20.1989 18.6985 15.6439 -24.6138 TIMING: 4169600 CPU: 12391.4, 0.00291534/step Wall: 12391.4, 0.00291534/step, 0.672471 hours remaining, 208.093750 MB of memory in use. ENERGY: 4169600 746.2142 2099.6267 1943.0480 106.5057 -206356.1962 18045.3818 0.0000 0.0000 34193.0221 -149222.3976 298.6162 -183415.4197 -149124.5571 299.6281 -10.2631 27.6892 557897.2837 3.6928 3.5278 PRESSURE: 4169800 301.083 27.4317 128.71 27.4316 -173.887 1.34857 128.708 1.34566 -73.8033 GPRESSURE: 4169800 311.609 77.7165 126.779 -25.6254 -133.77 -27.4624 35.3707 3.26181 -31.4433 PRESSAVG: 4169800 79.6362 -48.2934 1.4953 -48.2934 -92.7549 32.7492 1.49524 32.7493 -3.71283 GPRESSAVG: 4169800 79.1601 -50.932 2.28034 -47.1383 -91.915 30.7729 0.632312 34.1951 -3.43835 TIMING: 4169800 CPU: 12392, 0.00293365/step Wall: 12392, 0.00293365/step, 0.676532 hours remaining, 208.093750 MB of memory in use. ENERGY: 4169800 739.5692 2127.6138 1920.6067 115.7206 -206464.9824 17947.8069 0.0000 0.0000 34241.7906 -149371.8747 299.0421 -183613.6653 -149276.0426 298.9723 17.7976 48.7986 558194.3969 -5.6105 -5.3978 PRESSURE: 4170000 -15.9489 -17.6175 -81.4229 -17.6168 -163.173 17.1709 -81.4236 17.1706 -214.112 GPRESSURE: 4170000 0.441012 -56.7381 -95.2143 -0.946795 -114.57 -42.1703 -130.048 27.3135 -177.311 PRESSAVG: 4170000 48.7755 -13.8236 69.3189 -13.8236 -11.1635 18.7054 69.319 18.7054 -43.4724 GPRESSAVG: 4170000 50.2186 -12.0232 68.9147 -15.9921 -11.97 18.8698 68.9264 19.5727 -44.035 TIMING: 4170000 CPU: 12392.6, 0.00292092/step Wall: 12392.6, 0.00292092/step, 0.673435 hours remaining, 208.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4170000 728.1932 2059.6338 1925.3416 112.7910 -206397.0562 17706.2106 0.0000 0.0000 34469.2522 -149395.6337 301.0286 -183864.8860 -149290.6253 299.3154 -131.0777 -97.1465 558725.7496 -1.9534 -1.9288 PRESSURE: 4170200 49.6756 18.9611 79.6366 18.9611 -3.24613 -38.9411 79.6374 -38.9416 2.10132 GPRESSURE: 4170200 105.211 53.5367 27.4461 1.09077 -1.3175 -68.5223 184.139 -13.9605 28.845 PRESSAVG: 4170200 24.284 61.8771 17.2612 61.8772 -39.2271 19.2273 17.2613 19.2273 -4.40914 GPRESSAVG: 4170200 23.0522 61.6668 18.3901 61.6704 -37.7594 21.4944 16.9973 18.9983 -4.68776 TIMING: 4170200 CPU: 12393.2, 0.00293756/step Wall: 12393.2, 0.00293756/step, 0.677108 hours remaining, 208.093750 MB of memory in use. ENERGY: 4170200 710.2199 2092.2381 1922.5071 110.5643 -206532.9052 17931.6879 0.0000 0.0000 34347.5770 -149418.1110 299.9659 -183765.6880 -149320.5904 299.2847 16.1769 44.2461 558117.3890 -6.4507 -6.4650 PRESSURE: 4170400 77.0449 -37.5929 -64.616 -37.5917 74.3799 20.3559 -64.6155 20.3543 93.4616 GPRESSURE: 4170400 39.7236 31.4446 -36.1446 -16.72 188.619 93.4867 -120.498 -5.48372 127.881 PRESSAVG: 4170400 1.65342 63.298 -0.830757 63.298 26.7121 43.6069 -0.830816 43.607 -3.26501 GPRESSAVG: 4170400 1.36409 62.707 -1.98631 62.9039 27.0646 41.9537 0.695448 42.1607 -2.86885 TIMING: 4170400 CPU: 12393.8, 0.00294296/step Wall: 12393.8, 0.00294296/step, 0.67819 hours remaining, 208.093750 MB of memory in use. ENERGY: 4170400 721.8057 2174.7426 1923.6367 113.5582 -206412.3867 17946.6257 0.0000 0.0000 34185.6488 -149346.3689 298.5518 -183532.0177 -149243.7494 298.6131 81.6288 118.7413 557012.0277 8.3668 8.5200 PRESSURE: 4170600 120.801 -105.151 55.4511 -105.152 -162.425 138.744 55.4501 138.744 -3.75204 GPRESSURE: 4170600 184.55 -130.255 48.4493 -125.418 -130.726 67.9093 48.2515 166.677 -0.520308 PRESSAVG: 4170600 -8.06784 -6.03123 -6.1557 -6.03136 12.4221 -0.34992 -6.15574 -0.349926 23.7637 GPRESSAVG: 4170600 -8.16724 -6.59692 -6.04774 -6.05091 12.4459 0.102923 -6.64078 -0.419782 24.5318 TIMING: 4170600 CPU: 12394.4, 0.00294408/step Wall: 12394.4, 0.00294408/step, 0.678283 hours remaining, 208.093750 MB of memory in use. ENERGY: 4170600 721.5483 2101.8315 1914.8071 108.7750 -206253.8768 17883.6091 0.0000 0.0000 34375.5458 -149147.7601 300.2102 -183523.3058 -149056.2986 299.2513 -15.1255 17.7679 558049.3982 9.3727 9.6035 PRESSURE: 4170800 448.565 -32.4488 97.5939 -32.4485 160.223 30.6769 97.5953 30.6751 159.7 GPRESSURE: 4170800 505.634 -99.4213 45.5786 -36.2659 161.472 137.148 103.199 -33.6236 200.51 PRESSAVG: 4170800 1.90746 -39.1271 8.63691 -39.1271 -0.579568 30.3858 8.63696 30.3858 -6.45184 GPRESSAVG: 4170800 1.41128 -37.1885 5.89751 -39.6555 -0.133113 30.2685 11.355 31.8054 -6.57618 TIMING: 4170800 CPU: 12395, 0.00293488/step Wall: 12395, 0.00293488/step, 0.676002 hours remaining, 208.093750 MB of memory in use. ENERGY: 4170800 734.6371 2130.6336 1946.2209 115.7412 -206452.3425 18065.6764 0.0000 0.0000 34484.5048 -148974.9285 301.1618 -183459.4333 -148877.4547 299.2226 256.1630 289.2054 558899.3079 -1.7080 -1.7660 PRESSURE: 4171000 206.638 -86.6439 -9.99269 -86.6436 210.78 82.4317 -9.99248 82.4332 44.8978 GPRESSURE: 4171000 256.486 -51.0906 39.2184 -173.958 291.916 40.49 -52.6957 131.845 8.25872 PRESSAVG: 4171000 7.16403 -48.1241 -25.9896 -48.1241 36.5085 -8.29677 -25.9895 -8.29679 -67.793 GPRESSAVG: 4171000 8.5751 -49.7415 -23.3333 -45.2639 34.7893 -9.88054 -30.707 -7.7861 -67.2716 TIMING: 4171000 CPU: 12395.5, 0.00292667/step Wall: 12395.5, 0.00292666/step, 0.673946 hours remaining, 208.093750 MB of memory in use. ENERGY: 4171000 767.6892 2043.1668 1923.3580 113.2200 -206312.9598 18091.4514 0.0000 0.0000 34361.7640 -149012.3104 300.0898 -183374.0744 -148917.3256 300.0668 154.1052 185.5534 559229.4272 -8.0402 -7.9690 PRESSURE: 4171200 -364.594 62.3144 -144.384 62.3133 38.4046 23.3821 -144.385 23.3818 18.0208 GPRESSURE: 4171200 -311.254 -24.6245 -160.096 173.422 80.2182 118.399 -90.6454 -44.8649 12.2434 PRESSAVG: 4171200 -32.3119 -2.01853 -11.8874 -2.01858 29.4298 46.4501 -11.8875 46.4501 -31.2066 GPRESSAVG: 4171200 -32.5012 -0.913033 -9.81201 -4.04283 30.1261 50.7281 -12.0453 46.4937 -30.9696 TIMING: 4171200 CPU: 12396.1, 0.00292517/step Wall: 12396.1, 0.00292517/step, 0.673439 hours remaining, 208.093750 MB of memory in use. ENERGY: 4171200 779.6954 2132.5898 1953.5901 107.9196 -206259.4247 18011.5942 0.0000 0.0000 34231.4037 -149042.6319 298.9514 -183274.0356 -148948.8474 300.3132 -102.7227 -72.9307 559179.3424 -11.3629 -11.1149 PRESSURE: 4171400 160.372 97.5554 20.3458 97.5567 -219.107 86.5848 20.3446 86.5837 -174.11 GPRESSURE: 4171400 181.848 52.329 -49.2011 112.844 -199.163 112.001 82.6153 134.388 -115.257 PRESSAVG: 4171400 -25.0914 -0.842617 -1.12584 -0.84265 32.1438 -20.3895 -1.12587 -20.3895 -36.5395 GPRESSAVG: 4171400 -25.7727 -0.259941 -3.16043 -0.00757796 33.7393 -22.6386 0.0859767 -20.7758 -37.1156 TIMING: 4171400 CPU: 12396.7, 0.00292947/step Wall: 12396.7, 0.00292947/step, 0.674266 hours remaining, 208.093750 MB of memory in use. ENERGY: 4171400 744.1175 2105.6926 1917.5988 131.5250 -205922.9335 17796.1265 0.0000 0.0000 34188.8482 -149039.0249 298.5797 -183227.8731 -148938.8308 299.3383 -77.6150 -44.1906 559870.2383 -9.8291 -9.7163 PRESSURE: 4171600 -48.7126 -71.7499 7.99183 -71.749 -223.608 283.443 7.99163 283.444 -303.301 GPRESSURE: 4171600 -16.6297 -68.0399 -23.7136 -31.0336 -194.17 327.311 1.5815 177.944 -264.65 PRESSAVG: 4171600 -26.4519 -24.9611 2.44987 -24.961 7.49423 33.7909 2.44988 33.7909 -12.4858 GPRESSAVG: 4171600 -25.5931 -27.8989 2.55283 -23.0265 5.86911 33.0021 1.73386 33.6614 -11.1934 TIMING: 4171600 CPU: 12397.3, 0.00293483/step Wall: 12397.3, 0.00293483/step, 0.675338 hours remaining, 208.093750 MB of memory in use. ENERGY: 4171600 769.5270 2044.1571 1942.9181 109.1050 -205900.0963 17529.6122 0.0000 0.0000 34346.6886 -149158.0883 299.9582 -183504.7769 -149062.6305 299.5030 -191.8737 -158.4830 557119.0340 -10.4812 -10.3058 PRESSURE: 4171800 39.2395 30.4178 159.239 30.4169 -88.6173 80.6973 159.238 80.6977 78.4068 GPRESSURE: 4171800 87.6057 17.6674 180.882 44.1706 -27.8562 81.9016 101.603 31.0597 72.0503 PRESSAVG: 4171800 -41.5132 -34.6336 3.3271 -34.6336 -38.8283 7.39363 3.3271 7.39362 59.8007 GPRESSAVG: 4171800 -40.7871 -31.8094 2.27352 -36.4211 -38.2691 8.00025 3.10735 6.95896 58.1834 TIMING: 4171800 CPU: 12397.9, 0.00294132/step Wall: 12397.9, 0.00294132/step, 0.676668 hours remaining, 208.093750 MB of memory in use. ENERGY: 4171800 748.9750 2093.1901 1942.2853 105.1363 -206674.0233 17990.1031 0.0000 0.0000 34372.7276 -149421.6059 300.1856 -183794.3335 -149322.9008 299.4197 9.6763 43.9333 556829.3964 -6.8470 -6.9576 PRESSURE: 4172000 -84.3491 25.8545 42.004 25.8547 91.3382 90.3022 42.0028 90.3016 42.0979 GPRESSURE: 4172000 -66.7896 12.9704 2.07232 55.9911 107.481 103.646 108.492 14.0959 100.611 PRESSAVG: 4172000 -14.8013 -43.9165 -23.0243 -43.9165 -23.5645 -20.7719 -23.0243 -20.7718 41.3739 GPRESSAVG: 4172000 -15.1859 -46.3373 -23.5098 -43.8477 -23.9785 -19.4568 -22.7442 -21.8981 42.1605 TIMING: 4172000 CPU: 12398.5, 0.00292783/step Wall: 12398.5, 0.00292783/step, 0.673402 hours remaining, 208.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4172000 733.8424 2122.7474 1925.0133 125.3771 -206237.0696 17820.0741 0.0000 0.0000 34266.4803 -149243.5352 299.2577 -183510.0155 -149148.1866 298.3386 16.3624 47.1007 557622.7541 1.0027 0.9987 PRESSURE: 4172200 -262.256 -7.59746 2.49265 -7.5986 -95.4206 2.77848 2.49186 2.77989 -151.904 GPRESSURE: 4172200 -262.426 -56.9363 -13.8987 -23.273 8.49612 -147.812 -47.5184 88.7131 -160.602 PRESSAVG: 4172200 -43.4669 -73.9079 6.63631 -73.9078 5.49028 58.6682 6.63623 58.6682 32.0613 GPRESSAVG: 4172200 -43.7213 -73.1332 8.46759 -73.7962 5.36537 56.0129 4.26918 61.2077 32.2931 TIMING: 4172200 CPU: 12399.1, 0.00292402/step Wall: 12399.1, 0.00292402/step, 0.672362 hours remaining, 208.093750 MB of memory in use. ENERGY: 4172200 784.5309 2071.3437 1927.4413 129.9061 -206098.1910 17693.9843 0.0000 0.0000 34252.2704 -149238.7143 299.1336 -183490.9846 -149143.1258 298.6960 -169.8602 -138.1772 556806.7885 -1.9718 -2.0209 LDB: ============= START OF LOAD BALANCING ============== 12402.6 LDB: ============== END OF LOAD BALANCING =============== 12402.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12402.6 LDB: ============= START OF LOAD BALANCING ============== 12402.9 LDB: Largest compute 4809 load 0.023309 is 19.7% of average load 0.118326 LDB: Average compute 0.001721 is 1.5% of average load 0.118326 LDB: TIME 12402.9 LOAD: AVG 0.118326 MAX 0.196663 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.824 MB LDB: TIME 12402.9 LOAD: AVG 0.118326 MAX 0.196663 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.031 MB LDB: TIME 12402.9 LOAD: AVG 0.118326 MAX 0.196663 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.031 MB LDB: ============== END OF LOAD BALANCING =============== 12402.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12402.9 PRESSURE: 4172400 146.025 -210.751 24.5782 -210.752 -16.9671 184.754 24.5768 184.753 19.1227 GPRESSURE: 4172400 144.475 -128.687 -46.0646 -244.309 -3.3745 161.703 140.781 168.829 108.669 PRESSAVG: 4172400 9.79041 -9.43012 -17.6887 -9.43016 -31.3664 15.8206 -17.6887 15.8205 43.225 GPRESSAVG: 4172400 8.77743 -10.5115 -18.8636 -10.1152 -31.2079 18.2586 -15.6825 14.261 43.6866 TIMING: 4172400 CPU: 12399.7, 0.0029932/step Wall: 12399.7, 0.0029932/step, 0.688103 hours remaining, 205.832031 MB of memory in use. ENERGY: 4172400 787.1550 2096.9165 1932.2044 117.8735 -206180.6462 17823.8138 0.0000 0.0000 34291.8543 -149130.8288 299.4793 -183422.6831 -149032.0402 299.6104 49.3936 83.2564 555466.8578 7.2163 7.0854 PRESSURE: 4172600 -105.924 78.5445 -68.2293 78.5451 78.5968 19.3734 -68.2294 19.3741 147.932 GPRESSURE: 4172600 -52.381 94.2784 -146.223 47.7382 85.7931 16.5719 -61.8131 -49.3809 194.604 PRESSAVG: 4172600 -31.1918 -9.49353 5.38602 -9.49346 22.052 -1.42219 5.38605 -1.42209 4.7307 GPRESSAVG: 4172600 -30.6553 -8.73742 4.10688 -8.84917 22.5428 -2.84747 6.00994 -1.25229 3.85944 TIMING: 4172600 CPU: 12400.2, 0.00292744/step Wall: 12400.2, 0.00292744/step, 0.672823 hours remaining, 206.070312 MB of memory in use. ENERGY: 4172600 720.9264 2051.6106 1903.0096 118.4407 -205874.4028 17789.5045 0.0000 0.0000 34253.3885 -149037.5224 299.1434 -183290.9110 -148936.4108 299.2844 40.2016 76.0055 556272.7934 -1.4697 -1.4177 PRESSURE: 4172800 44.5695 -104.055 -12.2904 -104.055 -130.444 50.3129 -12.2902 50.314 331.248 GPRESSURE: 4172800 38.33 -51.6196 4.02904 -100.466 -70.0771 83.173 -42.0614 -15.9384 362.647 PRESSAVG: 4172800 18.9701 11.3332 -21.4948 11.3331 -33.9772 20.2986 -21.4949 20.2986 12.2004 GPRESSAVG: 4172800 19.2459 11.0718 -19.6517 9.83164 -33.837 19.6742 -22.9428 21.8521 11.5879 TIMING: 4172800 CPU: 12400.8, 0.00292814/step Wall: 12400.8, 0.00292814/step, 0.672821 hours remaining, 206.070312 MB of memory in use. ENERGY: 4172800 783.0178 2092.1795 1926.7817 111.9213 -206088.6347 17859.6804 0.0000 0.0000 34326.7463 -148988.3078 299.7840 -183315.0541 -148887.5806 299.3722 81.7912 110.3001 556540.7676 -0.9356 -1.0011 PRESSURE: 4173000 -375.774 -77.2167 13.4053 -77.2157 -196.372 126.911 13.4061 126.911 -144.987 GPRESSURE: 4173000 -385.347 -70.3396 -11.056 -118.289 -72.9256 145.224 54.3956 150.689 -159.77 PRESSAVG: 4173000 -4.23697 -12.1828 32.136 -12.1828 -28.6931 24.8015 32.1361 24.8016 56.531 GPRESSAVG: 4173000 -4.42934 -13.2217 33.5942 -9.05555 -28.289 25.8757 34.4213 23.7116 56.275 TIMING: 4173000 CPU: 12401.4, 0.00290605/step Wall: 12401.4, 0.00290605/step, 0.667585 hours remaining, 206.070312 MB of memory in use. ENERGY: 4173000 733.3310 2111.5422 1930.6459 117.3624 -205759.5492 17376.3844 0.0000 0.0000 34347.9963 -149142.2870 299.9696 -183490.2833 -149047.3855 300.0285 -239.0442 -206.0142 557722.3471 7.8670 7.8522 PRESSURE: 4173200 160.472 -122.928 -170.46 -122.928 -39.814 0.0594852 -170.459 0.0594936 61.325 GPRESSURE: 4173200 201.064 -167.203 -175.81 -86.6331 -34.3515 31.3962 -114.051 -85.1241 109.847 PRESSAVG: 4173200 4.64789 0.761652 3.51682 0.761628 -60.4003 45.9166 3.51686 45.9166 18.013 GPRESSAVG: 4173200 3.83152 2.14711 -0.095793 -0.610455 -60.8511 45.2835 5.51497 45.5406 19.535 TIMING: 4173200 CPU: 12402, 0.00292223/step Wall: 12402, 0.00292223/step, 0.671139 hours remaining, 206.070312 MB of memory in use. ENERGY: 4173200 726.7574 2102.8041 1916.5228 115.2208 -206078.3281 17994.0082 0.0000 0.0000 34128.7159 -149094.2989 298.0546 -183223.0149 -148997.8235 298.7354 60.6612 92.1865 558520.9982 -12.5798 -12.4948 PRESSURE: 4173400 92.9338 -9.14369 110.123 -9.14281 188.454 -100.432 110.123 -100.432 7.26376 GPRESSURE: 4173400 151.15 13.8642 181.458 -55.6093 184.127 -178.281 71.5534 -20.7071 51.8546 PRESSAVG: 4173400 27.5432 32.4327 5.81906 32.4329 -34.8103 50.1127 5.81901 50.1127 1.34996 GPRESSAVG: 4173400 29.4023 29.8628 9.3413 32.0359 -34.5395 50.2768 3.4705 50.4018 -0.321023 TIMING: 4173400 CPU: 12402.6, 0.00291546/step Wall: 12402.6, 0.00291546/step, 0.669421 hours remaining, 206.070312 MB of memory in use. ENERGY: 4173400 745.3306 2075.4684 1951.9776 119.1185 -206096.6296 18013.3605 0.0000 0.0000 34139.4616 -149051.9124 298.1484 -183191.3740 -148959.9800 299.3318 96.2172 129.0440 558235.7244 -1.9724 -1.8194 PRESSURE: 4173600 -47.4674 21.3817 195.386 21.3818 41.3811 113.042 195.386 113.043 -32.2945 GPRESSURE: 4173600 -19.0915 99.4647 177.159 62.3613 81.3779 70.8305 241.381 201.568 -3.25111 PRESSAVG: 4173600 14.2493 53.5964 -2.48176 53.5965 -3.51761 -6.47604 -2.48179 -6.47601 -23.0675 GPRESSAVG: 4173600 13.7811 53.8741 -3.3002 55.2695 -3.30393 -8.21353 -2.54612 -4.438 -22.5121 TIMING: 4173600 CPU: 12403.2, 0.0029216/step Wall: 12403.2, 0.0029216/step, 0.670669 hours remaining, 206.070312 MB of memory in use. ENERGY: 4173600 749.1439 2077.3151 1919.3654 122.0150 -206004.6610 17741.0698 0.0000 0.0000 34212.1628 -149183.5890 298.7833 -183395.7518 -149086.0465 299.6471 -12.7936 19.6784 557353.8250 -4.1119 -4.0116 PRESSURE: 4173800 139.874 -104.725 76.1231 -104.724 149.875 -89.4884 76.1208 -89.4866 159.108 GPRESSURE: 4173800 135.65 -65.042 191.409 -147.856 180.489 3.12748 70.9335 -87.4542 212.634 PRESSAVG: 4173800 -32.5721 59.9079 19.719 59.9079 20.5274 47.5465 19.719 47.5466 5.96168 GPRESSAVG: 4173800 -32.4828 61.8853 19.4289 56.3268 20.4062 50.3925 20.2721 44.7031 6.05735 TIMING: 4173800 CPU: 12403.7, 0.00291557/step Wall: 12403.7, 0.00291557/step, 0.669124 hours remaining, 206.070312 MB of memory in use. ENERGY: 4173800 736.5685 2095.8927 1903.0152 115.7369 -206586.1210 18183.2532 0.0000 0.0000 34335.4860 -149216.1685 299.8603 -183551.6545 -149114.5143 299.9795 149.6187 176.2576 557866.4701 -2.0277 -2.0064 PRESSURE: 4174000 -97.1223 -131.132 88.1424 -131.132 -299.698 92.9857 88.1416 92.9861 -139.007 GPRESSURE: 4174000 -81.7263 -166.842 66.9181 -108.289 -241.8 111.756 211.276 61.5734 -112.684 PRESSAVG: 4174000 -15.3438 50.3333 43.9675 50.3331 -24.2228 60.3417 43.9676 60.3418 37.4113 GPRESSAVG: 4174000 -16.2695 50.078 44.0124 51.8123 -22.7767 57.6655 41.8919 61.3597 36.8705 TIMING: 4174000 CPU: 12404.3, 0.00292249/step Wall: 12404.3, 0.00292249/step, 0.670548 hours remaining, 206.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4174000 749.0655 2084.7195 1926.0006 118.5305 -206097.1980 17549.0817 0.0000 0.0000 34390.5438 -149279.2564 300.3412 -183669.8002 -149187.0706 299.1305 -178.6089 -145.4033 558230.0306 -0.7184 -0.7252 PRESSURE: 4174200 260.274 67.1969 -104.092 67.1966 50.9507 -62.4355 -104.092 -62.435 195.244 GPRESSURE: 4174200 266.442 -2.82368 -107.181 34.6559 59.9764 -32.4816 -139.492 -108.584 266.507 PRESSAVG: 4174200 -18.2288 19.291 27.2465 19.2912 45.1608 29.4326 27.2465 29.4325 23.6298 GPRESSAVG: 4174200 -17.7408 21.0353 26.2298 18.7765 44.251 30.6004 30.154 28.7741 24.4361 TIMING: 4174200 CPU: 12404.9, 0.0029382/step Wall: 12404.9, 0.0029382/step, 0.673991 hours remaining, 206.070312 MB of memory in use. ENERGY: 4174200 743.0874 2085.6891 1937.3133 106.9311 -206534.7083 18235.1143 0.0000 0.0000 34173.5584 -149253.0147 298.4462 -183426.5731 -149148.8327 299.5043 168.8230 197.6415 557087.7326 16.8539 16.9821 PRESSURE: 4174400 -27.3648 69.2853 -3.82784 69.2847 30.0766 -139.836 -3.82723 -139.834 72.4302 GPRESSURE: 4174400 -11.1038 96.2304 39.8882 87.3246 63.4857 -104.9 0.104804 -81.7945 125.264 PRESSAVG: 4174400 -38.0431 17.2574 -37.3866 17.2574 -34.9497 -53.3947 -37.3867 -53.3946 63.9383 GPRESSAVG: 4174400 -39.2273 16.3955 -39.8466 17.8253 -34.5012 -54.241 -37.1603 -53.0913 64.3377 TIMING: 4174400 CPU: 12405.5, 0.00294234/step Wall: 12405.5, 0.00294234/step, 0.674776 hours remaining, 206.070312 MB of memory in use. ENERGY: 4174400 727.4892 2109.9484 1896.7600 111.7947 -206382.4019 18047.5765 0.0000 0.0000 34055.2416 -149433.5915 297.4129 -183488.8331 -149341.0455 298.6896 25.0473 59.2152 557993.6105 -3.0182 -3.1303 PRESSURE: 4174600 -78.052 2.55311 1.68554 2.55289 -90.3618 15.7746 1.68576 15.7756 217.709 GPRESSURE: 4174600 -45.6783 30.2374 -8.57695 -41.6367 -50.2183 -17.6457 -17.9645 18.2679 233.968 PRESSAVG: 4174600 -22.592 -21.9581 -41.0392 -21.9581 40.5713 -7.87969 -41.0392 -7.87958 11.6935 GPRESSAVG: 4174600 -20.2526 -24.1061 -38.7305 -20.3159 39.1542 -6.46979 -43.1192 -6.43108 11.1932 TIMING: 4174600 CPU: 12406.1, 0.00293952/step Wall: 12406.1, 0.00293952/step, 0.673967 hours remaining, 206.070312 MB of memory in use. ENERGY: 4174600 729.2202 2054.4757 1918.4298 109.2859 -205969.5960 17692.8560 0.0000 0.0000 34142.4288 -149322.8995 298.1743 -183465.3284 -149234.5231 298.3858 16.4316 46.0238 557284.1415 9.8909 10.0316 PRESSURE: 4174800 -195.614 -96.8466 22.5015 -96.8478 52.7553 45.754 22.5015 45.7552 106.749 GPRESSURE: 4174800 -196.518 -66.6942 32.6534 -30.8381 51.9103 55.9273 36.1395 4.28191 202.6 PRESSAVG: 4174800 27.3159 -35.1686 -44.8619 -35.1686 -43.1246 25.0108 -44.862 25.0109 -14.9233 GPRESSAVG: 4174800 26.0114 -35.4893 -46.7666 -35.6 -42.3754 23.4129 -41.9858 24.4698 -14.7371 TIMING: 4174800 CPU: 12406.7, 0.00294621/step Wall: 12406.7, 0.00294621/step, 0.675336 hours remaining, 206.070312 MB of memory in use. ENERGY: 4174800 758.3505 2039.0707 1930.2257 113.4918 -206281.9622 17855.7852 0.0000 0.0000 34119.5300 -149465.5084 297.9743 -183585.0383 -149364.3959 298.4777 -12.0366 19.3307 556423.2236 -10.2440 -10.3670 PRESSURE: 4175000 191.454 225.437 192.023 225.436 142.454 50.1514 192.023 50.1516 -67.7967 GPRESSURE: 4175000 202.475 164.476 91.1962 189.043 141.695 -11.1704 162.538 57.6931 11.4356 PRESSAVG: 4175000 0.508792 25.258 -42.3891 25.258 -24.5588 36.9824 -42.3892 36.9824 38.6136 GPRESSAVG: 4175000 0.433915 27.3692 -41.3722 25.661 -24.5478 38.2544 -43.8754 36.3457 38.329 TIMING: 4175000 CPU: 12407.3, 0.0029228/step Wall: 12407.3, 0.00292279/step, 0.669807 hours remaining, 206.070312 MB of memory in use. ENERGY: 4175000 745.4553 2091.4026 1922.8280 115.2719 -206385.5033 18068.0035 0.0000 0.0000 34016.2703 -149426.2717 297.0725 -183442.5420 -149333.6917 297.4005 88.7038 118.5354 559177.9517 4.8545 4.7384 PRESSURE: 4175200 190.819 56.4207 -19.1185 56.4215 74.8287 70.1341 -19.1184 70.1335 31.5174 GPRESSURE: 4175200 220.452 43.3 -28.1515 108.585 113.516 69.9736 -49.9922 84.1221 70.3802 PRESSAVG: 4175200 -34.4766 58.9922 -56.5362 58.9922 29.8466 40.7125 -56.5361 40.7126 -25.8618 GPRESSAVG: 4175200 -34.4109 58.6761 -58.1932 57.7376 30.2955 38.6548 -55.0178 41.1337 -26.151 TIMING: 4175200 CPU: 12407.8, 0.00292236/step Wall: 12407.8, 0.00292236/step, 0.669544 hours remaining, 206.070312 MB of memory in use. ENERGY: 4175200 755.6818 2098.7540 1919.6797 122.9195 -206742.2145 18186.7155 0.0000 0.0000 34070.5221 -149587.9419 297.5463 -183658.4640 -149490.6024 297.6565 99.0550 134.7827 557694.1437 -10.1639 -10.0888 PRESSURE: 4175400 6.45662 -67.8774 -41.0735 -67.8775 -181.358 20.4877 -41.0726 20.4885 -70.8871 GPRESSURE: 4175400 65.4126 -57.5328 -33.0857 -32.5783 -167.019 -41.8488 -52.5655 14.9016 -57.7167 PRESSAVG: 4175400 -23.2997 -0.174756 -46.304 -0.17482 27.0502 9.19978 -46.304 9.19974 -34.9508 GPRESSAVG: 4175400 -24.7831 1.44042 -44.5478 -1.88652 27.6186 12.4233 -48.3599 8.0681 -33.7566 TIMING: 4175400 CPU: 12408.4, 0.00292461/step Wall: 12408.4, 0.00292461/step, 0.669899 hours remaining, 206.070312 MB of memory in use. ENERGY: 4175400 703.9915 2062.4697 1907.9505 121.9188 -205967.0974 17667.8280 0.0000 0.0000 34095.3379 -149407.6010 297.7631 -183502.9390 -149311.6227 297.5478 -81.9296 -53.1077 557875.7986 -10.4001 -10.3071 PRESSURE: 4175600 -172.495 -43.0678 -53.2786 -43.0678 40.3712 -66.9642 -53.279 -66.9642 17.442 GPRESSURE: 4175600 -125.094 -63.0007 -120.492 -49.1232 54.9258 -5.44967 -32.1616 -75.8287 33.3613 PRESSAVG: 4175600 81.2037 -2.14721 21.4977 -2.14713 18.9875 7.56594 21.4977 7.56586 -42.9821 GPRESSAVG: 4175600 81.4749 -3.88291 21.2647 -0.352622 17.9934 6.99881 23.0134 7.36861 -42.6181 TIMING: 4175600 CPU: 12409, 0.00291926/step Wall: 12409, 0.00291926/step, 0.66851 hours remaining, 206.070312 MB of memory in use. ENERGY: 4175600 755.9469 2075.9856 1931.4768 109.5648 -206332.8336 17814.5016 0.0000 0.0000 34269.2884 -149376.0694 299.2822 -183645.3578 -149279.9762 298.4893 -38.2274 -12.2691 557825.6275 19.0697 18.9501 PRESSURE: 4175800 80.0747 -116.332 88.9134 -116.331 -208.051 44.0078 88.9123 44.0069 137.02 GPRESSURE: 4175800 117.596 -133.966 103.037 9.88083 -191.841 74.1097 91.5526 3.99519 183.256 PRESSAVG: 4175800 41.8386 17.4494 57.6082 17.4494 -36.7461 4.22931 57.6082 4.2294 18.3358 GPRESSAVG: 4175800 41.9637 17.4532 58.0522 17.4488 -36.0722 3.46483 55.1964 6.36191 17.9519 TIMING: 4175800 CPU: 12409.6, 0.00294092/step Wall: 12409.6, 0.00294092/step, 0.673308 hours remaining, 206.070312 MB of memory in use. ENERGY: 4175800 715.4655 2081.6328 1927.1153 116.3925 -206332.5605 17855.0684 0.0000 0.0000 34223.9518 -149412.9342 298.8863 -183636.8860 -149320.6678 298.9585 3.0144 36.3369 557983.6068 7.8094 7.9478 PRESSURE: 4176000 47.115 183.09 -84.6178 183.09 191.912 -18.9511 -84.6171 -18.952 -5.61421 GPRESSURE: 4176000 96.0032 140.591 -36.1124 100.358 225.891 18.3362 -82.4957 67.1602 12.2098 PRESSAVG: 4176000 -19.0948 66.8768 19.5664 66.8769 64.4999 -16.2126 19.5663 -16.2125 -22.0247 GPRESSAVG: 4176000 -19.4441 66.5553 19.4804 66.5417 64.0572 -15.8427 19.4659 -16.8779 -21.2978 TIMING: 4176000 CPU: 12410.2, 0.00293187/step Wall: 12410.2, 0.00293187/step, 0.671072 hours remaining, 206.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4176000 746.3257 2054.5180 1953.4441 124.3390 -206391.5113 17897.0471 0.0000 0.0000 34103.5414 -149512.2959 297.8347 -183615.8373 -149417.6410 298.9756 77.8043 111.3682 557688.3135 7.7935 7.7718 PRESSURE: 4176200 -19.2106 2.41743 40.8826 2.41849 196.001 -33.116 40.8821 -33.1159 135.575 GPRESSURE: 4176200 -1.91229 23.1015 -5.34458 -26.9265 219.002 -142.346 53.7346 14.1822 186.968 PRESSAVG: 4176200 -1.34564 19.7738 26.1774 19.7739 38.4527 -42.9035 26.1774 -42.9036 -13.3477 GPRESSAVG: 4176200 -0.508464 21.2727 25.4328 19.6832 38.3276 -44.5948 29.0662 -42.9775 -14.0355 TIMING: 4176200 CPU: 12410.8, 0.00292764/step Wall: 12410.8, 0.00292764/step, 0.669941 hours remaining, 206.070312 MB of memory in use. ENERGY: 4176200 750.1671 2068.7597 1941.8318 113.5011 -206512.4085 18085.2220 0.0000 0.0000 34172.5254 -149380.4014 298.4372 -183552.9268 -149280.7827 299.4820 104.1218 134.6858 555808.1497 7.9198 7.9279 LDB: ============= START OF LOAD BALANCING ============== 12414.3 LDB: ============== END OF LOAD BALANCING =============== 12414.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12414.3 LDB: ============= START OF LOAD BALANCING ============== 12414.6 LDB: Largest compute 4809 load 0.024549 is 20.8% of average load 0.118278 LDB: Average compute 0.001726 is 1.5% of average load 0.118278 LDB: TIME 12414.6 LOAD: AVG 0.118278 MAX 0.197579 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.566 MB LDB: TIME 12414.6 LOAD: AVG 0.118278 MAX 0.197579 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.629 MB LDB: TIME 12414.6 LOAD: AVG 0.118278 MAX 0.197579 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.629 MB LDB: ============== END OF LOAD BALANCING =============== 12414.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12414.6 PRESSURE: 4176400 -1.3251 143.683 267.03 143.683 -139.034 -10.4159 267.031 -10.4158 43.9697 GPRESSURE: 4176400 50.0301 194.202 303.483 2.79763 -77.9408 -33.6667 184.143 -43.1689 24.7062 PRESSAVG: 4176400 -18.804 0.761839 81.4483 0.761841 -30.2333 17.3039 81.4484 17.3038 -1.18245 GPRESSAVG: 4176400 -18.3856 0.0689163 82.1694 0.814507 -29.9779 19.0283 78.6154 14.8578 -1.50316 TIMING: 4176400 CPU: 12411.4, 0.00300002/step Wall: 12411.4, 0.00300002/step, 0.686337 hours remaining, 208.085938 MB of memory in use. ENERGY: 4176400 737.5553 2060.5751 1933.1335 114.7525 -206432.0392 17808.2740 0.0000 0.0000 34345.5589 -149432.1898 299.9483 -183777.7487 -149332.3639 298.9592 -32.1297 -1.0682 557090.1379 -16.7399 -16.6222 PRESSURE: 4176600 9.5744 -15.7376 -68.0964 -15.7381 -378.752 -33.4786 -68.0955 -33.4786 -158.582 GPRESSURE: 4176600 18.024 69.9032 -109.64 -94.6115 -288.108 -2.94183 1.07203 -43.0621 -138.947 PRESSAVG: 4176600 87.9999 0.922447 34.8293 0.922445 -77.2553 10.6134 34.8293 10.6135 -18.1354 GPRESSAVG: 4176600 87.3009 0.576757 33.3055 3.08107 -76.7416 8.5075 36.6612 11.8091 -17.5124 TIMING: 4176600 CPU: 12412, 0.00294722/step Wall: 12412, 0.00294722/step, 0.674095 hours remaining, 208.085938 MB of memory in use. ENERGY: 4176600 735.3554 2069.5118 1925.2363 111.0380 -206123.2054 17607.7686 0.0000 0.0000 34207.6815 -149466.6138 298.7442 -183674.2953 -149356.4423 299.1292 -175.9199 -136.3437 557361.7653 -2.4636 -2.3177 PRESSURE: 4176800 -70.6797 87.308 -130.278 87.308 37.1865 -124.501 -130.278 -124.5 -17.4441 GPRESSURE: 4176800 -45.9969 65.6497 -186.574 131.067 47.7534 -184.703 -78.238 -48.6489 42.4901 PRESSAVG: 4176800 -7.36925 -11.7139 -16.5331 -11.7138 21.389 22.5097 -16.533 22.5098 12.4783 GPRESSAVG: 4176800 -7.27556 -11.8738 -14.5126 -14.5677 20.5742 23.1725 -17.1194 25.0978 13.2394 TIMING: 4176800 CPU: 12412.6, 0.00293551/step Wall: 12412.6, 0.00293551/step, 0.671254 hours remaining, 208.085938 MB of memory in use. ENERGY: 4176800 756.0275 2039.2915 1920.5486 118.2448 -206342.2383 17728.6139 0.0000 0.0000 34275.4033 -149504.1087 299.3356 -183779.5119 -149404.4490 298.1787 -16.9791 14.7489 556675.5521 8.8327 8.8460 PRESSURE: 4177000 -333.478 107.914 61.4124 107.914 -120.613 75.3159 61.4119 75.3165 130.404 GPRESSURE: 4177000 -320.61 77.4876 65.7212 81.896 -69.942 78.0069 34.2857 158.061 167.762 PRESSAVG: 4177000 -27.3129 22.098 -5.93285 22.098 22.1079 22.3712 -5.93293 22.3712 -11.6323 GPRESSAVG: 4177000 -26.7077 22.3958 -7.65995 23.4383 22.5802 22.9777 -5.36421 21.5481 -12.1764 TIMING: 4177000 CPU: 12413.1, 0.00293827/step Wall: 12413.1, 0.00293827/step, 0.671722 hours remaining, 208.343750 MB of memory in use. ENERGY: 4177000 734.1601 2075.5078 1940.9486 111.4884 -206192.3503 17681.5263 0.0000 0.0000 34138.6003 -149510.1189 298.1409 -183648.7192 -149423.0561 298.2983 -107.8960 -74.2635 557809.6526 -5.6125 -5.4346 PRESSURE: 4177200 -212.591 -66.4567 84.934 -66.4578 -388.273 -77.172 84.9351 -77.1716 -41.3774 GPRESSURE: 4177200 -209.355 -135.432 54.1972 -28.6811 -333.215 4.65379 15.3193 -99.8203 5.10364 PRESSAVG: 4177200 -1.15506 -16.2512 21.4614 -16.2511 8.22015 -3.90034 21.4613 -3.90041 -35.2058 GPRESSAVG: 4177200 -2.50775 -16.264 21.2216 -15.6274 9.64727 -5.89638 21.8705 -3.92171 -34.8747 TIMING: 4177200 CPU: 12413.7, 0.00294279/step Wall: 12413.7, 0.00294279/step, 0.67259 hours remaining, 208.343750 MB of memory in use. ENERGY: 4177200 723.2155 2092.8353 1919.4621 123.9730 -206164.8584 17542.9203 0.0000 0.0000 34142.7296 -149619.7226 298.1769 -183762.4523 -149519.5040 298.8219 -214.0804 -179.1553 558762.5513 -9.3802 -9.2451 PRESSURE: 4177400 -199.981 -29.7067 17.2532 -29.7058 -128.034 -206.557 17.253 -206.557 -71.8343 GPRESSURE: 4177400 -145.507 0.663864 13.0529 -71.4881 -57.9541 -191.049 112.354 -265.984 -90.3253 PRESSAVG: 4177400 24.9996 -9.53864 40.0089 -9.53875 -29.2231 -16.521 40.0091 -16.5209 15.1123 GPRESSAVG: 4177400 26.2071 -8.96541 43.3076 -9.91461 -30.8055 -14.8242 39.0312 -16.918 15.8968 TIMING: 4177400 CPU: 12414.3, 0.0029319/step Wall: 12414.3, 0.0029319/step, 0.669939 hours remaining, 208.343750 MB of memory in use. ENERGY: 4177400 774.8105 2140.7768 1928.5726 104.9878 -206535.5694 17901.1914 0.0000 0.0000 34096.0695 -149589.1608 297.7695 -183685.2304 -149495.3479 298.6346 -133.2830 -97.9287 556743.9591 3.6296 3.7661 PRESSURE: 4177600 -199.343 300.612 1.38976 300.611 56.8612 51.8143 1.38979 51.8143 -20.528 GPRESSURE: 4177600 -138.258 343.083 -82.3372 170.127 43.8519 61.4656 90.2112 56.1635 21.3855 PRESSAVG: 4177600 5.36743 0.799361 24.8744 0.79929 24.9952 39.3491 24.8744 39.3492 -28.1975 GPRESSAVG: 4177600 6.19935 0.169627 21.9835 0.915757 24.3922 39.6837 24.3898 39.9594 -29.1269 TIMING: 4177600 CPU: 12414.9, 0.0029197/step Wall: 12414.9, 0.0029197/step, 0.666989 hours remaining, 208.343750 MB of memory in use. ENERGY: 4177600 729.2030 2079.1531 1913.4959 100.4908 -206273.0304 17668.1226 0.0000 0.0000 34248.5308 -149534.0341 299.1009 -183782.5649 -149442.3896 298.5385 -54.3368 -24.3402 557236.6455 0.7217 0.4882 PRESSURE: 4177800 78.7288 103.337 -27.3115 103.337 -156.122 13.849 -27.3099 13.8484 111.382 GPRESSURE: 4177800 90.7108 178.884 -54.6057 3.16211 -129.284 53.4507 -65.6922 -23.2254 168.746 PRESSAVG: 4177800 -24.3281 9.03416 -16.5333 9.03418 41.988 36.0053 -16.5333 36.0053 3.56428 GPRESSAVG: 4177800 -25.6914 9.57172 -16.3881 6.86287 42.9799 36.2575 -13.6401 35.4929 3.43205 TIMING: 4177800 CPU: 12415.5, 0.00294107/step Wall: 12415.5, 0.00294107/step, 0.671708 hours remaining, 208.343750 MB of memory in use. ENERGY: 4177800 720.1944 2102.2647 1918.3826 105.6373 -206516.1126 17949.4599 0.0000 0.0000 34137.2622 -149582.9114 298.1292 -183720.1736 -149482.0965 297.9710 11.3294 43.3909 558378.4868 7.0747 6.9069 PRESSURE: 4178000 64.5514 -25.7516 -29.4534 -25.7514 -179.454 91.6683 -29.454 91.669 12.7087 GPRESSURE: 4178000 68.8163 -59.0841 26.5842 -68.894 -39.5883 88.6212 -3.88667 51.7821 -31.1578 PRESSAVG: 4178000 -31.2454 -16.9743 9.5691 -16.9743 52.7772 2.30754 9.5691 2.30754 -42.7467 GPRESSAVG: 4178000 -30.2396 -18.3358 10.9652 -15.3387 52.0433 0.314114 7.05059 2.94431 -42.6223 TIMING: 4178000 CPU: 12416.1, 0.00293753/step Wall: 12416.1, 0.00293753/step, 0.670736 hours remaining, 208.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4178000 737.7029 2076.4406 1934.5269 116.2961 -206501.9580 17907.7029 0.0000 0.0000 34181.7651 -149547.5237 298.5179 -183729.2887 -149459.0607 298.3159 -34.0645 -0.6432 557717.0990 -7.0716 -6.9395 PRESSURE: 4178200 -136.035 109.84 -196.823 109.84 121.386 -38.3002 -196.823 -38.3016 314.188 GPRESSURE: 4178200 -96.074 62.876 -229.323 170.49 156.034 4.37842 -96.4721 -125.75 331.103 PRESSAVG: 4178200 -98.129 -56.8608 -29.9677 -56.8608 33.8313 19.1666 -29.9676 19.1664 17.0218 GPRESSAVG: 4178200 -97.6184 -56.0703 -31.4176 -56.931 33.9241 21.3038 -27.3444 18.2799 16.6669 TIMING: 4178200 CPU: 12416.7, 0.00290782/step Wall: 12416.7, 0.00290782/step, 0.66379 hours remaining, 208.343750 MB of memory in use. ENERGY: 4178200 718.3196 2123.3775 1927.7078 110.7528 -206600.9245 17948.8116 0.0000 0.0000 34265.5751 -149506.3802 299.2498 -183771.9553 -149416.0158 298.5980 99.8461 130.3544 557783.7416 -15.7586 -15.6758 PRESSURE: 4178400 -58.5124 -78.1284 -22.652 -78.1266 -204.738 80.5958 -22.6521 80.5957 96.5271 GPRESSURE: 4178400 -3.99881 -148.171 -97.9977 -19.633 -113.421 -22.2599 17.8143 118.943 44.3119 PRESSAVG: 4178400 -68.7159 -8.82725 -25.137 -8.8273 -8.36751 29.4947 -25.137 29.4948 84.4008 GPRESSAVG: 4178400 -69.6598 -8.54005 -23.2639 -9.73935 -7.36467 29.9323 -26.7115 27.4393 84.2407 TIMING: 4178400 CPU: 12417.2, 0.00291096/step Wall: 12417.2, 0.00291096/step, 0.664346 hours remaining, 208.343750 MB of memory in use. ENERGY: 4178400 755.8913 2173.3870 1946.8981 111.4226 -206612.8567 17995.5236 0.0000 0.0000 34139.3964 -149490.3377 298.1478 -183629.7341 -149397.6877 298.6352 -55.5743 -24.3692 559358.9566 2.4391 2.4054 PRESSURE: 4178600 99.6522 163.908 170.166 163.908 -161.246 85.4821 170.165 85.4812 137.247 GPRESSURE: 4178600 53.7784 131.975 77.9924 104.588 -99.0517 100.579 264.737 70.7163 216.131 PRESSAVG: 4178600 -15.0595 60.3051 33.4374 60.3051 -77.9825 39.6706 33.4375 39.6706 58.8114 GPRESSAVG: 4178600 -13.9629 57.4371 33.7963 61.836 -78.7545 37.7216 33.4626 41.0165 58.5286 TIMING: 4178600 CPU: 12417.8, 0.00291212/step Wall: 12417.8, 0.00291212/step, 0.66445 hours remaining, 208.343750 MB of memory in use. ENERGY: 4178600 731.5356 2079.7997 1953.2550 115.9556 -206554.9086 17923.6246 0.0000 0.0000 34154.8963 -149595.8418 298.2832 -183750.7381 -149493.1780 297.7603 25.2177 56.9525 557292.4859 -11.4102 -11.3963 PRESSURE: 4178800 -392.686 105.225 -34.278 105.226 -128.232 -47.9493 -34.2788 -47.9485 -109.843 GPRESSURE: 4178800 -316.893 154.715 -39.7498 98.145 -132.06 -8.40984 57.6374 -32.7622 -81.3543 PRESSAVG: 4178800 -94.9654 93.9086 45.9709 93.9086 -58.0574 -9.34162 45.9708 -9.34161 84.2342 GPRESSAVG: 4178800 -95.9052 95.4529 45.4607 91.4657 -57.8851 -9.90197 45.8521 -9.49631 84.8671 TIMING: 4178800 CPU: 12418.4, 0.00293208/step Wall: 12418.4, 0.00293208/step, 0.66884 hours remaining, 208.343750 MB of memory in use. ENERGY: 4178800 778.2552 2096.5838 1930.8626 115.6024 -206120.2099 17621.7609 0.0000 0.0000 34096.8823 -149480.2627 297.7766 -183577.1450 -149384.3990 298.9350 -210.2534 -176.7691 558790.6267 -22.9296 -22.9744 PRESSURE: 4179000 30.1781 -60.2244 170.782 -60.2256 -550.989 73.1513 170.784 73.1508 -13.7112 GPRESSURE: 4179000 45.012 -115.989 131.804 -89.1335 -478.058 43.1751 197.676 7.2584 -15.464 PRESSAVG: 4179000 -13.5325 52.3439 1.17834 52.3439 62.9007 -42.2862 1.17825 -42.2861 -8.01601 GPRESSAVG: 4179000 -13.262 51.7464 1.24379 53.4016 63.1321 -42.2933 2.67565 -41.8622 -7.9167 TIMING: 4179000 CPU: 12419, 0.00292796/step Wall: 12419, 0.00292796/step, 0.667738 hours remaining, 208.343750 MB of memory in use. ENERGY: 4179000 763.9189 2074.0155 1909.6040 120.6522 -206184.9584 17631.7134 0.0000 0.0000 34229.7787 -149455.2757 298.9372 -183685.0544 -149365.3444 298.7522 -178.1742 -149.5035 558390.6646 13.7841 13.9845 PRESSURE: 4179200 -81.409 100.25 -74.9151 100.248 -70.804 79.7646 -74.9151 79.7651 -98.0423 GPRESSURE: 4179200 -59.7374 185.045 16.2553 143.981 -28.2624 124.096 -152.448 17.9412 -73.8262 PRESSAVG: 4179200 0.927716 33.0312 -11.1054 33.0312 -22.7873 14.8904 -11.1054 14.8905 47.44 GPRESSAVG: 4179200 0.931998 33.5078 -10.7062 32.4886 -23.06 16.9497 -13.8353 16.3048 47.1895 TIMING: 4179200 CPU: 12419.6, 0.00295341/step Wall: 12419.6, 0.00295341/step, 0.673379 hours remaining, 208.343750 MB of memory in use. ENERGY: 4179200 739.2383 2058.3037 1925.5288 103.2800 -205912.0280 17546.1774 0.0000 0.0000 34351.5282 -149187.9715 300.0004 -183539.4997 -149087.6769 299.2904 -83.4184 -53.9420 557996.1984 8.5268 8.3538 PRESSURE: 4179400 231.869 -17.057 124.05 -17.0575 -137.049 78.3707 124.05 78.3702 75.5435 GPRESSURE: 4179400 224.711 63.1293 168.006 -90.3935 -73.7972 37.5845 52.1259 114.632 116.171 PRESSAVG: 4179400 -5.13643 30.9178 -31.9287 30.9179 30.1907 -16.116 -31.9287 -16.116 -45.6616 GPRESSAVG: 4179400 -4.82131 32.4808 -33.3295 32.4455 30.1519 -17.4897 -30.5155 -16.8106 -46.1726 TIMING: 4179400 CPU: 12420.2, 0.00297298/step Wall: 12420.2, 0.00297298/step, 0.677674 hours remaining, 208.343750 MB of memory in use. ENERGY: 4179400 756.6179 2080.8959 1926.7092 116.7834 -206476.2237 18049.8015 0.0000 0.0000 34465.1223 -149080.2936 300.9925 -183545.4159 -148989.7007 299.3691 56.7881 89.0282 557842.8709 -6.8691 -6.9473 PRESSURE: 4179600 -115.017 -18.751 154.683 -18.7508 -125.819 48.0962 154.684 48.0965 -276.191 GPRESSURE: 4179600 -141.313 -43.2979 155.163 41.9774 -81.989 51.9715 141.719 141.623 -194.117 PRESSAVG: 4179600 9.32704 15.7879 12.6719 15.7879 10.941 4.19237 12.6719 4.19233 -24.8313 GPRESSAVG: 4179600 7.89872 14.2976 13.3458 15.8242 11.5843 6.84469 11.3723 3.56411 -24.1747 TIMING: 4179600 CPU: 12420.8, 0.00297583/step Wall: 12420.8, 0.00297583/step, 0.678159 hours remaining, 208.343750 MB of memory in use. ENERGY: 4179600 764.6375 2084.7930 1943.1022 116.5072 -205784.7470 17562.8452 0.0000 0.0000 34284.5839 -149028.2779 299.4158 -183312.8618 -148929.0482 299.5278 -172.3422 -139.1399 558550.0647 -1.5211 -1.5639 PRESSURE: 4179800 80.2022 -128.204 99.2502 -128.204 54.1896 -0.063973 99.2489 -0.063128 206.838 GPRESSURE: 4179800 159.385 -56.3077 29.6902 -256.691 -4.64024 -29.9393 107.916 7.95293 287.916 PRESSAVG: 4179800 1.70187 -1.00994 10.4318 -1.00992 37.9497 -26.7627 10.4317 -26.7627 -32.4243 GPRESSAVG: 4179800 2.43839 -1.36183 9.03441 -1.05239 37.3417 -29.0461 11.1509 -26.6867 -32.4164 TIMING: 4179800 CPU: 12421.4, 0.00298504/step Wall: 12421.4, 0.00298504/step, 0.680092 hours remaining, 208.343750 MB of memory in use. ENERGY: 4179800 728.6065 2111.8404 1946.3359 115.7007 -206078.6111 17990.7551 0.0000 0.0000 34278.0542 -148907.3182 299.3588 -183185.3724 -148814.8082 299.9109 113.7434 147.5535 557053.6494 2.4091 2.4546 PRESSURE: 4180000 206.686 -125.253 96.2754 -125.254 -98.7494 118.421 96.2746 118.421 8.68952 GPRESSURE: 4180000 243.765 -47.7377 104.574 -206.548 -64.9151 20.7561 40.759 148.406 32.788 PRESSAVG: 4180000 -24.1674 -29.2691 -17.1366 -29.2692 -45.0246 -34.7258 -17.1366 -34.7258 23.3076 GPRESSAVG: 4180000 -25.5929 -28.4047 -18.1844 -29.306 -42.4221 -32.5121 -15.7499 -36.0538 21.8275 TIMING: 4180000 CPU: 12422, 0.00297124/step Wall: 12422, 0.00297124/step, 0.676783 hours remaining, 208.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4180000 791.9165 2095.1893 1957.9508 118.8181 -205956.7884 17834.3530 0.0000 0.0000 34315.8598 -148842.7010 299.6889 -183158.5608 -148741.5542 300.6573 38.8754 70.5461 558598.1333 -15.2948 -15.3958 PRESSURE: 4180200 265.373 -102.514 28.353 -102.514 -166.136 11.7943 28.3527 11.7934 -160.251 GPRESSURE: 4180200 193.876 -129.105 63.9371 -55.3171 -71.7617 74.3885 34.7233 31.6073 -90.9313 PRESSAVG: 4180200 127.026 -65.9621 27.2527 -65.9621 -29.8434 42.1702 27.2527 42.1701 -61.0324 GPRESSAVG: 4180200 129.083 -68.4557 29.8849 -65.6364 -31.7535 38.3393 25.5896 44.308 -60.6026 TIMING: 4180200 CPU: 12422.6, 0.00294365/step Wall: 12422.6, 0.00294365/step, 0.670335 hours remaining, 208.343750 MB of memory in use. ENERGY: 4180200 764.0342 2105.8277 1947.3728 130.8611 -205873.5276 17626.4051 0.0000 0.0000 34471.1786 -148827.8479 301.0454 -183299.0265 -148737.0679 300.2375 -20.3379 10.3944 558189.4938 12.0500 12.2422 LDB: ============= START OF LOAD BALANCING ============== 12426.1 LDB: ============== END OF LOAD BALANCING =============== 12426.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12426.1 LDB: ============= START OF LOAD BALANCING ============== 12426.4 LDB: Largest compute 4809 load 0.024509 is 20.7% of average load 0.118313 LDB: Average compute 0.001728 is 1.5% of average load 0.118313 LDB: TIME 12426.4 LOAD: AVG 0.118313 MAX 0.197613 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.789 MB LDB: TIME 12426.4 LOAD: AVG 0.118313 MAX 0.197613 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.988 MB LDB: TIME 12426.4 LOAD: AVG 0.118313 MAX 0.197613 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.988 MB LDB: ============== END OF LOAD BALANCING =============== 12426.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12426.4 PRESSURE: 4180400 96.6992 -194.913 22.5727 -194.914 -78.6628 1.39139 22.5733 1.39163 -135.71 GPRESSURE: 4180400 129.762 -261.968 135.335 -43.2262 -69.0399 6.76037 -30.9009 -6.20475 -93.3667 PRESSAVG: 4180400 32.2136 -24.3223 -29.8106 -24.3223 -37.5259 20.4456 -29.8105 20.4457 -2.74742 GPRESSAVG: 4180400 32.5511 -20.9977 -28.9631 -25.3317 -36.9975 22.3801 -29.9558 20.6407 -3.83923 TIMING: 4180400 CPU: 12423.2, 0.00299309/step Wall: 12423.2, 0.00299309/step, 0.681427 hours remaining, 207.765625 MB of memory in use. ENERGY: 4180400 767.1545 2067.2290 1928.3290 111.4987 -205983.8296 17692.4419 0.0000 0.0000 34336.8745 -149080.3020 299.8725 -183417.1765 -148974.6385 299.8922 -39.2246 -10.8817 557541.0498 -2.6866 -2.7619 PRESSURE: 4180600 172.586 111.532 113.597 111.532 -175.411 92.7491 113.597 92.7479 -54.471 GPRESSURE: 4180600 155.469 76.8659 169.382 143.359 -110.184 71.7878 131.85 -23.4811 -12.2525 PRESSAVG: 4180600 45.1832 -0.970237 -12.2435 -0.970171 11.5298 -9.97578 -12.2434 -9.97581 -30.0169 GPRESSAVG: 4180600 45.0578 -1.08896 -11.7582 -0.405894 10.6581 -7.43226 -11.0576 -12.4697 -28.8174 TIMING: 4180600 CPU: 12423.7, 0.00293768/step Wall: 12423.7, 0.00293768/step, 0.668648 hours remaining, 207.765625 MB of memory in use. ENERGY: 4180600 747.3387 2106.8087 1927.2112 115.7964 -206145.6796 17744.8999 0.0000 0.0000 34444.6663 -149058.9584 300.8138 -183503.6247 -148968.0652 299.4855 -19.0987 11.0105 558137.1517 8.8987 8.9661 PRESSURE: 4180800 214.09 -118.899 5.38033 -118.9 -91.9926 34.5549 5.3813 34.5567 63.3955 GPRESSURE: 4180800 261.034 -66.5512 -29.0219 -75.7734 -48.8352 22.8377 9.87652 40.5362 69.4422 PRESSAVG: 4180800 62.1139 -43.4111 2.15052 -43.4111 -40.6813 20.1025 2.15057 20.1025 -20.8932 GPRESSAVG: 4180800 61.4262 -42.4847 -2.39973 -44.1415 -40.4724 13.9378 4.89888 22.1045 -20.7064 TIMING: 4180800 CPU: 12424.3, 0.00295412/step Wall: 12424.3, 0.00295412/step, 0.672227 hours remaining, 207.765625 MB of memory in use. ENERGY: 4180800 747.6964 2083.2430 1908.7001 113.6258 -206118.8279 17894.9489 0.0000 0.0000 34377.3359 -148993.2779 300.2258 -183370.6138 -148897.4843 299.9871 61.8308 93.8804 557869.4129 0.1798 0.0825 PRESSURE: 4181000 -175.288 -120.303 13.6445 -120.303 -158.809 25.5695 13.6438 25.5704 -337.535 GPRESSURE: 4181000 -150.683 -69.6958 56.8027 -174.795 -55.7673 -67.5506 -24.8895 46.0098 -357.462 PRESSAVG: 4181000 10.8974 -7.91078 -9.15821 -7.91081 46.7056 -21.9482 -9.15821 -21.9481 -3.89186 GPRESSAVG: 4181000 10.4808 -10.6682 -7.96907 -6.74532 46.0203 -18.9819 -10.4024 -22.5364 -2.75223 TIMING: 4181000 CPU: 12424.9, 0.00294486/step Wall: 12424.9, 0.00294486/step, 0.669956 hours remaining, 207.765625 MB of memory in use. ENERGY: 4181000 772.3665 2116.7127 1982.3701 119.8264 -205908.1150 17590.1416 0.0000 0.0000 34328.6352 -148998.0625 299.8005 -183326.6977 -148902.0363 299.8298 -223.8771 -187.9708 558459.8726 17.9037 17.9163 PRESSURE: 4181200 -76.106 -206.946 -96.4714 -206.946 -214.36 -40.4789 -96.4715 -40.4776 -121.027 GPRESSURE: 4181200 -81.6378 -182.909 -157.764 -179.36 -145.56 44.0633 -16.2761 -107.057 -101.423 PRESSAVG: 4181200 60.2223 -56.8672 -41.3715 -56.8672 -19.5887 2.17782 -41.3715 2.17779 -24.6727 GPRESSAVG: 4181200 59.6076 -55.9913 -41.7417 -57.3435 -18.8371 2.19196 -42.0159 4.58778 -25.0456 TIMING: 4181200 CPU: 12425.5, 0.00293089/step Wall: 12425.5, 0.00293089/step, 0.666614 hours remaining, 207.765625 MB of memory in use. ENERGY: 4181200 751.1058 2114.8551 1968.0265 117.4715 -206437.3275 17841.3263 0.0000 0.0000 34391.0356 -149253.5069 300.3455 -183644.5425 -149164.0171 300.0757 -137.1641 -109.5403 559252.6442 5.3203 5.2417 PRESSURE: 4181400 27.6392 -25.7627 -15.0998 -25.7629 -301.733 -59.9175 -15.1012 -59.9173 171.45 GPRESSURE: 4181400 95.4107 -29.0367 -35.0236 -8.46644 -246.113 -71.798 -47.5571 5.67096 144.751 PRESSAVG: 4181400 35.6753 -7.7627 -48.4789 -7.76267 -59.9434 46.9623 -48.4789 46.9623 8.94571 GPRESSAVG: 4181400 35.0261 -9.36951 -45.9495 -6.71197 -58.6582 47.6975 -50.8835 44.4003 8.45286 TIMING: 4181400 CPU: 12426.1, 0.00293389/step Wall: 12426.1, 0.00293389/step, 0.667134 hours remaining, 207.765625 MB of memory in use. ENERGY: 4181400 725.7134 2141.7460 1954.8218 117.4657 -206415.7393 18021.7279 0.0000 0.0000 34413.9548 -149040.3098 300.5456 -183454.2646 -148945.3034 299.4340 -34.2148 -1.9836 559514.2390 -5.1075 -5.0597 PRESSURE: 4181600 -157.357 -31.3453 84.1892 -31.344 -207.038 127.104 84.1899 127.105 -212.801 GPRESSURE: 4181600 -134.992 7.98139 15.0415 -101.913 -190.44 11.5971 118.121 194.815 -147.789 PRESSAVG: 4181600 8.65163 -33.8744 11.9679 -33.8744 8.4941 -13.875 11.9679 -13.875 1.19161 GPRESSAVG: 4181600 9.82127 -31.5377 8.30997 -36.1509 6.69271 -14.4211 14.2072 -13.8353 1.26224 TIMING: 4181600 CPU: 12426.7, 0.0029479/step Wall: 12426.7, 0.0029479/step, 0.670157 hours remaining, 207.765625 MB of memory in use. ENERGY: 4181600 760.6172 2125.2048 1964.4700 111.9028 -206055.6259 17827.4491 0.0000 0.0000 34370.3306 -148895.6513 300.1646 -183265.9819 -148797.9167 299.5434 -192.3985 -157.7407 561502.9318 6.1124 5.9254 PRESSURE: 4181800 -102.668 -67.0679 -68.242 -67.068 -125.964 14.8883 -68.2416 14.8877 -183.156 GPRESSURE: 4181800 -6.40158 -31.9682 3.66848 -80.1219 -124.294 16.8221 -32.4736 -33.9591 -174.505 PRESSAVG: 4181800 50.4378 -24.4499 -20.1407 -24.4499 -7.55023 -25.7412 -20.1407 -25.7412 -76.58 GPRESSAVG: 4181800 50.2042 -26.7742 -17.7807 -21.1604 -6.24233 -26.6603 -20.2725 -25.0456 -77.4448 TIMING: 4181800 CPU: 12427.3, 0.00296508/step Wall: 12427.3, 0.00296508/step, 0.673897 hours remaining, 207.765625 MB of memory in use. ENERGY: 4181800 735.1827 2142.6107 1951.0724 108.5483 -205804.1959 17584.0618 0.0000 0.0000 34300.6889 -148982.0311 299.5564 -183282.7200 -148887.7967 299.4831 -137.2627 -101.7335 558433.5927 -11.2308 -11.1610 PRESSURE: 4182000 -83.8897 -56.984 -15.2299 -56.9839 106.738 163.483 -15.2297 163.483 -25.9139 GPRESSURE: 4182000 -44.8393 30.032 -49.0054 -54.6651 129.521 166.543 31.1677 233.201 14.7512 PRESSAVG: 4182000 17.3511 5.9948 -31.7983 5.99481 -18.1441 13.5982 -31.7983 13.5981 -5.91604 GPRESSAVG: 4182000 18.0389 9.93988 -31.9477 1.98421 -20.5607 16.216 -33.2708 12.3637 -4.3414 TIMING: 4182000 CPU: 12427.9, 0.00295456/step Wall: 12427.9, 0.00295456/step, 0.671342 hours remaining, 207.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4182000 746.4931 2132.4265 1936.4795 120.9334 -206349.7071 17788.8389 0.0000 0.0000 34561.9898 -149062.5458 301.8385 -183624.5355 -148966.3465 299.5355 -1.0218 33.1443 557177.5765 -2.2364 -2.2877 PRESSURE: 4182200 49.7792 -6.73741 -77.7204 -6.73547 -23.98 -55.8406 -77.7205 -55.8399 192.443 GPRESSURE: 4182200 50.5309 -1.12016 -87.3306 5.21269 18.6108 -103.256 -46.6171 -14.6903 227.733 PRESSAVG: 4182200 27.6223 -41.8895 4.88909 -41.8895 14.7797 -0.787041 4.8891 -0.786965 -38.3023 GPRESSAVG: 4182200 27.4201 -43.5238 4.89338 -38.0823 16.7373 -3.02237 5.40295 1.40311 -40.0811 TIMING: 4182200 CPU: 12428.5, 0.00293608/step Wall: 12428.5, 0.00293608/step, 0.66698 hours remaining, 207.765625 MB of memory in use. ENERGY: 4182200 719.8948 2031.6157 1929.8738 124.3347 -206312.9071 17970.6272 0.0000 0.0000 34377.2836 -149159.2773 300.2254 -183536.5609 -149054.8547 299.6038 72.7475 98.9582 557798.2836 1.3666 1.3588 PRESSURE: 4182400 26.5859 6.42422 -78.499 6.42451 109.355 48.1258 -78.4985 48.1269 140.656 GPRESSURE: 4182400 50.3045 67.383 -73.1921 -90.6191 181.855 72.2739 -49.6428 71.439 148.474 PRESSAVG: 4182400 -13.5107 14.3412 -109.677 14.3411 -26.1588 35.0489 -109.677 35.0489 -13.3494 GPRESSAVG: 4182400 -13.3908 14.1722 -109.274 12.5139 -26.6212 36.5206 -110.034 33.533 -13.0067 TIMING: 4182400 CPU: 12429, 0.00292422/step Wall: 12429, 0.00292422/step, 0.664122 hours remaining, 207.765625 MB of memory in use. ENERGY: 4182400 735.1750 2111.4078 1952.4042 119.1942 -206407.0685 17809.1905 0.0000 0.0000 34415.6537 -149264.0432 300.5605 -183679.6969 -149167.6101 298.8837 92.1989 126.8777 556567.8104 -17.6730 -17.6729 PRESSURE: 4182600 -114.562 58.3735 -45.1013 58.373 -52.0002 86.9591 -45.1014 86.9576 -4.10221 GPRESSURE: 4182600 -101.615 85.4698 -102.888 51.1531 9.26535 17.4231 -80.2243 93.633 21.203 PRESSAVG: 4182600 103.195 -29.0393 -30.2472 -29.0392 -20.967 29.8785 -30.2472 29.8785 -46.3742 GPRESSAVG: 4182600 102.569 -28.8053 -28.7214 -30.1889 -21.352 28.9704 -32.8116 31.0278 -45.2692 TIMING: 4182600 CPU: 12429.6, 0.00293583/step Wall: 12429.6, 0.00293583/step, 0.666597 hours remaining, 207.765625 MB of memory in use. ENERGY: 4182600 715.1610 2053.1877 1924.2566 123.4860 -206216.0338 17688.6759 0.0000 0.0000 34441.4759 -149269.7907 300.7860 -183711.2666 -149169.2691 299.3149 -56.8881 -23.7156 558316.4549 11.9511 11.9825 PRESSURE: 4182800 -14.7278 -14.2042 26.1132 -14.203 119.746 28.4167 26.1122 28.4155 -124.678 GPRESSURE: 4182800 15.963 -34.263 52.4859 47.5753 140.188 -24.2225 -25.8734 157.261 -65.2648 PRESSAVG: 4182800 -5.72968 20.7291 -65.5332 20.7292 -6.63593 4.76078 -65.5332 4.76081 12.8475 GPRESSAVG: 4182800 -4.93351 19.476 -69.7248 19.8737 -5.64247 3.80212 -60.7923 5.75693 11.2287 TIMING: 4182800 CPU: 12430.2, 0.00291525/step Wall: 12430.2, 0.00291525/step, 0.661762 hours remaining, 207.765625 MB of memory in use. ENERGY: 4182800 726.0380 2100.5939 1936.6772 114.6881 -206441.7735 17965.9581 0.0000 0.0000 34249.0157 -149348.8025 299.1052 -183597.8182 -149257.6464 299.2328 -6.5534 30.2954 557337.9039 0.1606 0.2176 PRESSURE: 4183000 205.571 7.84953 -62.2346 7.85153 223.12 -116.31 -62.2354 -116.311 265.471 GPRESSURE: 4183000 245.03 30.5701 -92.6466 35.8405 209.433 -77.37 -104.054 -106.465 326.354 PRESSAVG: 4183000 73.4946 27.6896 -29.0849 27.6897 15.6223 12.7612 -29.085 12.7611 -75.6404 GPRESSAVG: 4183000 73.7915 30.0569 -27.6707 30.7735 14.1857 11.4862 -29.7078 13.7434 -75.3308 TIMING: 4183000 CPU: 12430.8, 0.00292953/step Wall: 12430.8, 0.00292953/step, 0.66484 hours remaining, 207.765625 MB of memory in use. ENERGY: 4183000 734.7327 2116.8767 1925.9727 113.9407 -206546.4151 18195.0228 0.0000 0.0000 34270.5563 -149189.3131 299.2933 -183459.8694 -149093.2722 299.6173 231.3872 260.2724 556163.0540 4.4921 4.2155 PRESSURE: 4183200 -222.643 18.3989 77.5859 18.3973 103.172 -60.049 77.5859 -60.0485 46.5796 GPRESSURE: 4183200 -212.051 -20.2461 99.9731 18.6631 146.551 -41.6278 -9.89702 15.325 75.3752 PRESSAVG: 4183200 -62.7081 -2.93274 2.72592 -2.93283 25.4966 -2.20822 2.72594 -2.20832 41.8382 GPRESSAVG: 4183200 -62.9039 -5.3371 2.46732 -4.45846 26.7176 0.127967 3.02445 -4.07903 40.9139 TIMING: 4183200 CPU: 12431.4, 0.00289284/step Wall: 12431.4, 0.00289284/step, 0.656354 hours remaining, 207.765625 MB of memory in use. ENERGY: 4183200 779.6402 2076.8975 1926.6418 118.4153 -206018.4791 17783.7973 0.0000 0.0000 34177.1925 -149155.8945 298.4779 -183333.0870 -149054.6283 299.4868 -24.2970 3.2917 557595.8441 1.5422 1.5759 PRESSURE: 4183400 -95.9146 -167.02 -325.904 -167.02 -129.589 -101.908 -325.905 -101.908 -197.649 GPRESSURE: 4183400 -76.8187 -194.466 -315.874 -155.414 -148.687 -40.5524 -249.801 -121.932 -104.616 PRESSAVG: 4183400 -4.42329 -22.6279 -23.7648 -22.6279 19.3409 15.4669 -23.7648 15.4669 14.0151 GPRESSAVG: 4183400 -4.16784 -22.3488 -21.8813 -22.6166 18.3637 14.8122 -25.0292 15.3052 14.7493 TIMING: 4183400 CPU: 12432, 0.00292762/step Wall: 12432, 0.00292762/step, 0.664081 hours remaining, 207.765625 MB of memory in use. ENERGY: 4183400 742.6402 2090.0789 1945.8530 107.3061 -205912.6198 17659.4980 0.0000 0.0000 34309.7799 -149057.4637 299.6358 -183367.2436 -148959.5344 299.8466 -141.0509 -110.0409 558486.6592 9.6442 9.6484 PRESSURE: 4183600 85.368 155.44 -53.397 155.44 -60.2834 -165.526 -53.3967 -165.527 66.1225 GPRESSURE: 4183600 125.635 186.369 -14.4954 79.9288 -23.1953 -138.05 -46.2363 -210.082 83.1506 PRESSAVG: 4183600 -2.81571 -1.46702 4.91701 -1.46703 -2.84369 -17.1631 4.91707 -17.163 34.9738 GPRESSAVG: 4183600 -2.85947 -1.64622 5.30098 -0.533379 -2.16769 -16.0322 4.85762 -16.3507 34.4572 TIMING: 4183600 CPU: 12432.5, 0.00294876/step Wall: 12432.5, 0.00294876/step, 0.668713 hours remaining, 207.765625 MB of memory in use. ENERGY: 4183600 735.4316 2113.5274 1951.0146 119.9566 -206163.3064 17868.4431 0.0000 0.0000 34220.6552 -149154.2780 298.8575 -183374.9332 -149048.6583 300.0467 30.4024 61.8633 557755.6373 9.7715 9.8100 PRESSURE: 4183800 -159.815 18.133 27.9314 18.1341 201.406 161.322 27.9319 161.322 39.5199 GPRESSURE: 4183800 -132.354 9.34407 3.96435 8.9014 242.449 134.425 41.1799 208.346 58.0116 PRESSAVG: 4183800 -94.3725 -12.0483 26.6354 -12.0483 57.8368 15.1061 26.6353 15.1061 37.2371 GPRESSAVG: 4183800 -96.2131 -10.1221 22.854 -14.0073 58.8787 15.6719 27.3436 13.3879 37.7457 TIMING: 4183800 CPU: 12433.1, 0.00296345/step Wall: 12433.1, 0.00296345/step, 0.67188 hours remaining, 207.765625 MB of memory in use. ENERGY: 4183800 747.7081 2065.7410 1967.4791 119.6155 -206299.8983 17933.0266 0.0000 0.0000 34144.3235 -149322.0045 298.1909 -183466.3280 -149216.1854 298.9753 27.0369 56.0355 556774.1277 0.2338 0.1371 PRESSURE: 4184000 -258.625 62.112 153.226 62.1114 -30.1993 -173.593 153.226 -173.592 149.384 GPRESSURE: 4184000 -158.514 41.4145 190.205 80.0144 -75.6741 -221.421 199.665 -117.903 197.705 PRESSAVG: 4184000 -30.026 0.833828 5.24269 0.833758 -31.8509 -0.073898 5.24263 -0.0738653 61.3184 GPRESSAVG: 4184000 -29.5077 -0.480415 7.98305 0.56698 -32.5712 -1.54573 4.81219 2.01258 62.6932 TIMING: 4184000 CPU: 12433.7, 0.00294032/step Wall: 12433.7, 0.00294032/step, 0.666474 hours remaining, 207.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4184000 744.9826 2092.3927 1912.2733 114.3168 -206252.7229 17813.5818 0.0000 0.0000 34320.4240 -149254.7517 299.7288 -183575.1757 -149164.4507 298.6468 -46.4801 -12.1609 556420.7793 -0.1862 0.2048 PRESSURE: 4184200 135.479 37.8365 -38.3627 37.836 296.352 64.5748 -38.3631 64.5761 45.9967 GPRESSURE: 4184200 159.353 108.199 -110.051 131.104 302.647 110.213 -18.671 -62.4451 107.234 PRESSAVG: 4184200 -80.6912 -0.694838 -16.6231 -0.694801 41.942 -17.517 -16.6232 -17.517 70.2598 GPRESSAVG: 4184200 -80.5328 0.912926 -17.3771 -0.425485 42.5977 -16.1326 -17.5838 -19.2829 68.9046 TIMING: 4184200 CPU: 12434.3, 0.00294555/step Wall: 12434.3, 0.00294555/step, 0.667494 hours remaining, 207.765625 MB of memory in use. ENERGY: 4184200 772.8748 2098.2269 1926.9436 102.1837 -206784.5300 18191.7699 0.0000 0.0000 34312.6425 -149379.8886 299.6608 -183692.5311 -149282.4857 299.6606 159.2757 189.7446 555367.2588 10.5035 10.3232 LDB: ============= START OF LOAD BALANCING ============== 12437.9 LDB: ============== END OF LOAD BALANCING =============== 12437.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12437.9 LDB: ============= START OF LOAD BALANCING ============== 12438.2 LDB: Largest compute 4809 load 0.024015 is 20.3% of average load 0.118254 LDB: Average compute 0.001728 is 1.5% of average load 0.118254 LDB: TIME 12438.2 LOAD: AVG 0.118254 MAX 0.193587 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.23 MB LDB: TIME 12438.2 LOAD: AVG 0.118254 MAX 0.193587 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.23 MB LDB: TIME 12438.2 LOAD: AVG 0.118254 MAX 0.193587 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12438.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12438.2 PRESSURE: 4184400 51.6456 49.7042 6.39641 49.7041 -18.2696 62.1673 6.39705 62.1675 46.2581 GPRESSURE: 4184400 89.4671 -44.5785 79.6123 156.3 -8.63423 120.759 -119.142 -7.53041 93.5683 PRESSAVG: 4184400 -111.594 37.8926 -18.9573 37.8926 80.7961 8.64101 -18.9573 8.64099 18.694 GPRESSAVG: 4184400 -111.862 34.1926 -18.0715 40.0198 80.7442 8.32377 -18.7789 7.8828 19.0425 TIMING: 4184400 CPU: 12434.9, 0.00297765/step Wall: 12434.9, 0.00297765/step, 0.674603 hours remaining, 210.078125 MB of memory in use. ENERGY: 4184400 693.8751 2069.6320 1923.4624 137.5210 -206274.3067 17712.0473 0.0000 0.0000 34361.5599 -149376.2090 300.0880 -183737.7690 -149282.0828 298.9817 26.5447 58.1337 557075.8915 -4.0346 -4.0251 PRESSURE: 4184600 -90.1224 178.806 41.2765 178.806 -305.831 181.491 41.276 181.49 -226.358 GPRESSURE: 4184600 -57.8178 118.332 -9.43532 143.208 -248.891 173.326 33.2855 162.376 -205.274 PRESSAVG: 4184600 -38.1158 31.1173 5.89833 31.1174 -3.23737 -0.327965 5.89838 -0.327956 84.5042 GPRESSAVG: 4184600 -37.7629 30.2372 5.07642 31.8125 -3.44702 -2.59328 6.07053 3.91697 84.6417 TIMING: 4184600 CPU: 12435.5, 0.00291759/step Wall: 12435.5, 0.00291759/step, 0.660834 hours remaining, 210.148438 MB of memory in use. ENERGY: 4184600 763.5486 2061.2237 1955.9239 109.2914 -205955.7002 17352.8057 0.0000 0.0000 34375.7124 -149337.1944 300.2116 -183712.9068 -149239.9623 298.4999 -207.4370 -170.6608 557340.9793 14.3837 14.4773 PRESSURE: 4184800 -207.147 53.579 258.422 53.5794 -86.6023 104.254 258.42 104.254 -116.787 GPRESSURE: 4184800 -232.341 25.8506 264.562 85.1798 11.7489 62.8817 305.14 190.831 -99.2266 PRESSAVG: 4184800 11.4446 2.68217 -8.3102 2.68222 23.2508 18.0184 -8.31019 18.0184 -45.6702 GPRESSAVG: 4184800 11.4161 4.10407 -7.93364 1.76826 23.3931 20.0871 -8.33308 15.7374 -45.1271 TIMING: 4184800 CPU: 12436.1, 0.00289834/step Wall: 12436.1, 0.00289834/step, 0.656313 hours remaining, 210.148438 MB of memory in use. ENERGY: 4184800 764.0096 2068.1511 1951.3888 109.9687 -206062.0359 17582.9919 0.0000 0.0000 34284.4374 -149301.0883 299.4145 -183585.5257 -149203.3667 299.5465 -136.8452 -106.6061 558042.4163 -3.6583 -3.4393 PRESSURE: 4185000 116.295 25.703 104.819 25.703 71.7517 98.215 104.818 98.2152 -78.7645 GPRESSURE: 4185000 138.35 -34.6559 51.3088 -6.69423 97.0301 169.183 107.249 51.7443 -26.1378 PRESSAVG: 4185000 -67.0868 -28.5162 42.8008 -28.5162 101.991 5.51267 42.8008 5.51269 -45.8422 GPRESSAVG: 4185000 -65.3495 -28.7092 43.4484 -29.4029 101.768 5.70281 42.4271 3.77353 -47.307 TIMING: 4185000 CPU: 12436.7, 0.00291072/step Wall: 12436.7, 0.00291072/step, 0.658954 hours remaining, 210.148438 MB of memory in use. ENERGY: 4185000 777.1054 2139.9569 1935.2500 122.1511 -206137.5666 17695.1258 0.0000 0.0000 34253.5007 -149214.4769 299.1443 -183467.9776 -149118.3055 299.7748 36.4275 69.7475 556448.6362 -3.6460 -3.6294 PRESSURE: 4185200 -97.9257 23.6765 -66.6175 23.676 -16.7951 -164.89 -66.6173 -164.89 5.64021 GPRESSURE: 4185200 -61.6304 34.7686 5.27702 13.9796 4.65733 -221.463 -25.4817 -171.455 42.1912 PRESSAVG: 4185200 -24.8936 -54.5432 32.8016 -54.5432 61.9251 -14.406 32.8015 -14.406 -31.1921 GPRESSAVG: 4185200 -25.8925 -52.7625 30.9112 -55.1256 63.1656 -15.2491 34.0381 -12.7682 -31.7217 TIMING: 4185200 CPU: 12437.2, 0.00291546/step Wall: 12437.2, 0.00291546/step, 0.659866 hours remaining, 210.148438 MB of memory in use. ENERGY: 4185200 733.6531 2056.1769 1935.2404 116.8451 -206374.9257 17813.8259 0.0000 0.0000 34299.9736 -149419.2107 299.5502 -183719.1843 -149319.1808 298.7296 -36.3602 -4.9273 556640.6002 1.9465 1.8504 PRESSURE: 4185400 361.578 89.5758 117.887 89.5763 -200.168 -74.578 117.886 -74.5778 -115.427 GPRESSURE: 4185400 417.259 96.1818 96.9603 76.8 -155.031 -138.529 136.273 -71.8661 -122.67 PRESSAVG: 4185400 56.7922 -17.8247 8.06624 -17.8246 19.6988 -25.9324 8.06633 -25.9325 -47.4668 GPRESSAVG: 4185400 58.019 -18.623 9.38701 -18.1722 17.8746 -26.6869 8.31425 -24.5022 -46.8318 TIMING: 4185400 CPU: 12437.8, 0.00292159/step Wall: 12437.8, 0.00292159/step, 0.661091 hours remaining, 210.148438 MB of memory in use. ENERGY: 4185400 764.7949 2092.3111 1944.7331 125.7502 -206207.1000 17768.2435 0.0000 0.0000 34031.0306 -149480.2366 297.2015 -183511.2672 -149382.8620 298.3317 15.3277 46.5194 557136.6173 9.6747 9.6873 PRESSURE: 4185600 -206.823 53.1103 -144.111 53.1098 3.79296 -137.301 -144.11 -137.302 79.7661 GPRESSURE: 4185600 -149.204 66.2073 -204.736 58.2323 10.3043 -59.0645 -168.397 -126.748 106.403 PRESSAVG: 4185600 -5.92275 9.97087 38.5021 9.97093 39.1432 -57.5342 38.5021 -57.5343 -36.4799 GPRESSAVG: 4185600 -6.67896 12.2587 37.8737 8.78661 39.1334 -57.5056 37.6971 -58.4104 -36.2423 TIMING: 4185600 CPU: 12438.4, 0.00294096/step Wall: 12438.4, 0.00294096/step, 0.665311 hours remaining, 210.148438 MB of memory in use. ENERGY: 4185600 738.5103 2135.4200 1923.9044 111.2295 -206394.9652 17720.0542 0.0000 0.0000 34152.7269 -149613.1199 298.2643 -183765.8468 -149520.9307 298.2885 -41.0879 -10.8322 557253.2947 -1.0865 -1.2626 PRESSURE: 4185800 -124.015 -188.268 56.9285 -188.267 -50.1971 -164.521 56.9295 -164.519 -14.6881 GPRESSURE: 4185800 -84.6406 -101.983 56.2406 -111.554 -76.3045 -128.706 -23.0407 -95.463 62.6142 PRESSAVG: 4185800 -10.0768 19.2539 -9.70959 19.2538 -9.92657 -76.0927 -9.70959 -76.0927 15.841 GPRESSAVG: 4185800 -10.4575 15.3646 -9.61878 19.8228 -9.86036 -73.4204 -9.78593 -76.0697 15.933 TIMING: 4185800 CPU: 12439, 0.00293446/step Wall: 12439, 0.00293446/step, 0.663676 hours remaining, 210.148438 MB of memory in use. ENERGY: 4185800 725.5740 2109.8217 1922.1279 117.0661 -206518.1713 17709.6763 0.0000 0.0000 33991.4980 -149942.4073 296.8562 -183933.9053 -149845.0215 297.6368 -62.9666 -32.7770 556205.8289 -1.3875 -1.4616 PRESSURE: 4186000 27.7557 64.7326 -59.2877 64.7333 -48.7166 93.7608 -59.2878 93.7613 31.0446 GPRESSURE: 4186000 78.3463 96.4689 -186.475 64.831 -10.6901 24.2917 48.1017 159.443 42.492 PRESSAVG: 4186000 -26.4759 -42.7997 -30.446 -42.7997 -10.3997 -23.9714 -30.446 -23.9714 39.2883 GPRESSAVG: 4186000 -27.0747 -41.8939 -28.2871 -41.5161 -9.08203 -26.577 -31.5435 -25.0643 38.9031 TIMING: 4186000 CPU: 12439.6, 0.00295355/step Wall: 12439.6, 0.00295355/step, 0.667832 hours remaining, 210.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4186000 715.3131 2040.4666 1950.5093 117.9342 -206921.9261 18032.3216 0.0000 0.0000 34030.3082 -150035.0732 297.1951 -184065.3813 -149942.3980 297.2569 3.3612 36.7161 557314.8387 0.8043 0.9155 PRESSURE: 4186200 75.289 146.117 120.271 146.117 -44.5949 -28.7479 120.271 -28.7481 -135.037 GPRESSURE: 4186200 114.833 213.225 98.088 110.466 -29.3806 40.455 188.959 -161.572 -90.206 PRESSAVG: 4186200 48.9849 6.04607 18.6643 6.04609 -3.98037 1.72379 18.6642 1.72383 -0.120383 GPRESSAVG: 4186200 49.0366 6.90957 16.462 4.56244 -5.94987 4.57408 19.9986 1.67733 2.31709 TIMING: 4186200 CPU: 12440.2, 0.00297143/step Wall: 12440.2, 0.00297143/step, 0.671707 hours remaining, 210.148438 MB of memory in use. ENERGY: 4186200 716.7745 2143.6164 1933.6518 120.9987 -206741.9256 17942.3763 0.0000 0.0000 33915.0054 -149969.5026 296.1882 -183884.5080 -149876.8028 296.6088 -34.7808 -1.5844 558059.4544 14.9614 15.1346 PRESSURE: 4186400 98.0277 131.933 -52.6276 131.932 195.477 -78.6675 -52.6279 -78.6656 153.516 GPRESSURE: 4186400 169.946 131.812 -60.0023 91.4045 220.212 -25.5669 -76.9843 -64.3811 146.572 PRESSAVG: 4186400 -66.2734 62.7471 20.3806 62.747 20.1555 -83.1116 20.3807 -83.1116 26.8351 GPRESSAVG: 4186400 -66.3973 60.0702 20.8395 64.9312 21.0135 -84.451 19.8155 -84.8844 25.3919 TIMING: 4186400 CPU: 12440.8, 0.00297412/step Wall: 12440.8, 0.00297412/step, 0.672152 hours remaining, 210.148438 MB of memory in use. ENERGY: 4186400 704.8441 2145.3796 1957.7488 111.6602 -206823.4775 17988.8171 0.0000 0.0000 34011.7512 -149903.2766 297.0331 -183915.0278 -149804.3454 297.5055 149.0069 178.9099 556086.0890 -6.4276 -6.6640 PRESSURE: 4186600 166.008 -168.392 -41.7422 -168.392 92.8449 -19.0683 -41.7416 -19.0689 184.157 GPRESSURE: 4186600 223.848 -168.479 50.6336 -210.308 123.032 -55.3794 -108.996 -106.561 199.017 PRESSAVG: 4186600 29.0912 31.8634 -30.5081 31.8634 -31.6184 4.5262 -30.5081 4.52623 40.0918 GPRESSAVG: 4186600 29.6137 33.6929 -28.2517 30.8444 -31.2191 3.80929 -33.3399 8.16364 38.7604 TIMING: 4186600 CPU: 12441.4, 0.00296662/step Wall: 12441.4, 0.00296662/step, 0.670291 hours remaining, 210.148438 MB of memory in use. ENERGY: 4186600 746.2084 2089.9493 1933.5935 101.5842 -206963.9864 18051.6146 0.0000 0.0000 34193.8109 -149847.2256 298.6231 -184041.0365 -149748.5340 297.6082 147.6698 181.9656 556159.6770 12.5215 12.3850 PRESSURE: 4186800 168.283 -61.8987 -64.4399 -61.8982 107.52 76.8992 -64.4407 76.8996 212.634 GPRESSURE: 4186800 185.305 -16.3042 -129.43 -37.2031 152.046 78.3586 -23.3502 105.118 258.564 PRESSAVG: 4186800 8.50892 -4.98314 -25.4965 -4.98315 -94.3588 31.2343 -25.4966 31.2343 92.1882 GPRESSAVG: 4186800 8.68164 -3.53187 -27.8891 -5.58488 -95.9584 32.1777 -22.9138 29.1949 93.9538 TIMING: 4186800 CPU: 12442, 0.00296745/step Wall: 12442, 0.00296745/step, 0.670315 hours remaining, 210.148438 MB of memory in use. ENERGY: 4186800 732.8276 2059.1412 1924.8689 106.1791 -206869.4039 18070.9692 0.0000 0.0000 34133.1498 -149842.2680 298.0933 -183975.4179 -149745.7386 297.5896 162.8123 198.6381 555125.1705 2.1128 2.2257 PRESSURE: 4187000 -185.174 61.3891 -17.2926 61.389 -84.5921 -113.669 -17.292 -113.67 135.852 GPRESSURE: 4187000 -197.136 18.8441 -45.9054 74.4668 -40.6233 -140.877 28.6599 -1.02576 214.305 PRESSAVG: 4187000 -24.0232 -0.871485 -11.6027 -0.871523 -49.6916 -45.4721 -11.6028 -45.4721 49.7711 GPRESSAVG: 4187000 -24.688 -2.91113 -10.3715 0.20147 -48.668 -47.8333 -12.3027 -45.8098 49.4134 TIMING: 4187000 CPU: 12442.6, 0.00293154/step Wall: 12442.6, 0.00293154/step, 0.66204 hours remaining, 210.148438 MB of memory in use. ENERGY: 4187000 757.6654 2089.9487 1908.9996 113.3047 -207055.1721 18069.5193 0.0000 0.0000 34471.7273 -149644.0070 301.0502 -184115.7343 -149546.7680 297.9492 -44.6378 -7.8183 556576.9562 -7.9812 -7.9808 PRESSURE: 4187200 -163.875 -98.8079 -127.424 -98.8082 114.385 -10.092 -127.424 -10.0897 106.981 GPRESSURE: 4187200 -101.86 -121.202 -122.631 -71.7809 120.919 -70.5368 -144.974 11.5288 137.199 PRESSAVG: 4187200 11.5494 -33.2844 5.31477 -33.2844 17.3506 5.5446 5.31488 5.54453 -23.8702 GPRESSAVG: 4187200 11.9837 -31.4284 4.38602 -34.1362 17.1227 8.47811 5.53384 6.04084 -24.1345 TIMING: 4187200 CPU: 12443.1, 0.00294963/step Wall: 12443.1, 0.00294963/step, 0.665962 hours remaining, 210.148438 MB of memory in use. ENERGY: 4187200 786.4557 2144.8265 1949.6630 120.8498 -206489.6341 17984.6681 0.0000 0.0000 33882.7923 -149620.3787 295.9069 -183503.1710 -149522.6120 298.1687 19.1637 52.0860 556709.4918 1.6766 1.6573 PRESSURE: 4187400 21.2563 -109.16 -67.7533 -109.159 128.79 -53.2327 -67.7531 -53.2313 9.95378 GPRESSURE: 4187400 56.2953 -85.618 -142.44 -156.333 146.566 -2.06956 -92.928 -36.3672 42.6379 PRESSAVG: 4187400 -5.60611 -13.6709 42.0307 -13.6709 1.71504 -10.7067 42.0307 -10.7066 10.3112 GPRESSAVG: 4187400 -6.35428 -14.1151 40.8724 -13.1302 2.21094 -12.6601 43.3917 -9.5597 9.84531 TIMING: 4187400 CPU: 12443.7, 0.00294668/step Wall: 12443.7, 0.00294668/step, 0.66513 hours remaining, 210.148438 MB of memory in use. ENERGY: 4187400 763.2784 2007.8249 1954.9386 101.1641 -206690.6673 18017.0247 0.0000 0.0000 34350.4206 -149496.0160 299.9908 -183846.4366 -149395.4786 298.4106 53.3335 81.8332 556679.2596 2.1400 1.9007 PRESSURE: 4187600 -95.5127 -156.928 103.6 -156.928 -178.38 176.575 103.6 176.574 -46.3363 GPRESSURE: 4187600 33.3612 -186.957 101.095 -125.693 -171.893 116.231 174.452 151.034 -91.7523 PRESSAVG: 4187600 -57.1315 -26.2287 -38.49 -26.2288 -0.92733 2.52045 -38.49 2.52059 62.0399 GPRESSAVG: 4187600 -56.7851 -24.9137 -36.1432 -29.1864 -0.909597 3.1136 -40.5634 1.27552 61.9251 TIMING: 4187600 CPU: 12444.3, 0.00295779/step Wall: 12444.3, 0.00295779/step, 0.667475 hours remaining, 210.148438 MB of memory in use. ENERGY: 4187600 723.8146 2118.1366 1927.9955 129.2934 -206375.6860 17678.4793 0.0000 0.0000 34256.2097 -149541.7570 299.1680 -183797.9667 -149445.0262 298.4762 -106.7429 -76.7613 556631.9113 1.3270 1.4102 PRESSURE: 4187800 -66.5959 -9.09452 70.956 -9.09504 65.7965 56.4326 70.9572 56.4333 -83.8393 GPRESSURE: 4187800 -77.7103 -109.378 39.056 -48.729 103.457 36.619 57.5801 58.452 -18.154 PRESSAVG: 4187800 -38.7892 -11.1064 -19.5786 -11.1064 42.9361 -0.036655 -19.5786 -0.0366116 11.2453 GPRESSAVG: 4187800 -38.1403 -12.7856 -20.5091 -9.78253 41.8683 3.61556 -19.3165 -1.71361 11.7172 TIMING: 4187800 CPU: 12444.9, 0.00296734/step Wall: 12444.9, 0.00296734/step, 0.669465 hours remaining, 210.148438 MB of memory in use. ENERGY: 4187800 745.3592 2081.5543 1912.6286 105.7153 -206315.6255 17848.6755 0.0000 0.0000 34249.3991 -149372.2934 299.1085 -183621.6925 -149271.1241 298.8880 -28.2129 2.5308 557053.6930 5.1307 5.1484 PRESSURE: 4188000 47.2158 100.704 42.4248 100.704 -167.396 -112.585 42.4257 -112.585 61.1925 GPRESSURE: 4188000 59.7815 47.9393 0.78441 174.148 -147.744 -68.3319 24.8735 -47.32 117.798 PRESSAVG: 4188000 -31.523 31.234 16.2241 31.2339 54.9491 33.4349 16.224 33.4349 -7.41912 GPRESSAVG: 4188000 -32.6003 31.6205 14.6295 31.1511 56.2313 30.7783 19.4667 33.809 -8.50726 TIMING: 4188000 CPU: 12445.5, 0.00294339/step Wall: 12445.5, 0.00294339/step, 0.663899 hours remaining, 210.148438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4188000 759.5315 2014.1277 1918.3052 113.5611 -206279.4940 17906.2086 0.0000 0.0000 34300.3782 -149267.3817 299.5537 -183567.7598 -149167.8693 298.9656 -19.6624 9.9451 558514.1338 5.3357 5.0412 PRESSURE: 4188200 39.3077 -151.471 93.6597 -151.471 -209.9 125.483 93.659 125.483 -81.3947 GPRESSURE: 4188200 91.8486 -165.169 95.0475 -111.747 -206.279 149.577 39.7481 94.5709 -35.2806 PRESSAVG: 4188200 -22.904 2.33081 82.1028 2.3308 67.3739 -17.1091 82.1028 -17.1092 12.5886 GPRESSAVG: 4188200 -20.8069 2.93205 82.4071 2.04619 66.4839 -17.5726 78.9277 -14.7903 12.0459 TIMING: 4188200 CPU: 12446.1, 0.00292635/step Wall: 12446.1, 0.00292635/step, 0.659892 hours remaining, 210.148438 MB of memory in use. ENERGY: 4188200 762.9541 2066.4937 1951.5719 115.6564 -206382.4583 17728.2765 0.0000 0.0000 34397.5190 -149359.9867 300.4021 -183757.5056 -149255.6708 299.3140 -83.9956 -49.9037 557263.2018 19.0195 19.2410 LDB: ============= START OF LOAD BALANCING ============== 12449.6 LDB: ============== END OF LOAD BALANCING =============== 12449.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12449.6 LDB: ============= START OF LOAD BALANCING ============== 12449.9 LDB: Largest compute 4809 load 0.023707 is 20.0% of average load 0.118361 LDB: Average compute 0.001737 is 1.5% of average load 0.118361 LDB: TIME 12449.9 LOAD: AVG 0.118361 MAX 0.196539 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.027 MB LDB: TIME 12449.9 LOAD: AVG 0.118361 MAX 0.196539 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.027 MB LDB: TIME 12449.9 LOAD: AVG 0.118361 MAX 0.196539 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.027 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12449.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12449.9 PRESSURE: 4188400 -71.2544 -128.323 11.1083 -128.323 -4.21678 26.2711 11.1086 26.2724 37.1205 GPRESSURE: 4188400 -47.6798 -127.42 32.9888 -142.808 8.81703 -9.01445 41.1431 -16.9262 99.0418 PRESSAVG: 4188400 -67.819 -28.3685 13.1734 -28.3685 27.6517 24.2147 13.1734 24.2148 15.2657 GPRESSAVG: 4188400 -67.774 -29.0671 11.4671 -27.9212 26.8376 24.1462 15.3966 21.1736 16.1854 TIMING: 4188400 CPU: 12446.7, 0.00300088/step Wall: 12446.7, 0.00300088/step, 0.676531 hours remaining, 208.082031 MB of memory in use. ENERGY: 4188400 732.2779 2047.4637 1950.5333 120.0208 -206138.6785 17671.2850 0.0000 0.0000 34262.4165 -149354.6813 299.2222 -183617.0978 -149262.0149 298.5762 -12.7836 20.0597 557850.3097 -8.3005 -8.2503 PRESSURE: 4188600 141.35 16.1296 56.3601 16.1295 -329.982 110.169 56.3607 110.169 -302.68 GPRESSURE: 4188600 121.3 -6.41413 25.7528 -10.9799 -272.111 109.32 1.75603 99.9637 -244.836 PRESSAVG: 4188600 39.7653 -10.4085 -2.06823 -10.4085 7.23819 4.68522 -2.06818 4.68527 -7.06832 GPRESSAVG: 4188600 38.7018 -9.62416 2.33243 -10.5881 8.00997 7.05262 -4.72372 4.27223 -6.78247 TIMING: 4188600 CPU: 12447.3, 0.00296138/step Wall: 12447.3, 0.00296138/step, 0.667461 hours remaining, 208.152344 MB of memory in use. ENERGY: 4188600 721.2511 2039.5177 1936.0322 114.8631 -205850.5806 17624.7105 0.0000 0.0000 34145.8210 -149268.3849 298.2039 -183414.2059 -149172.5037 299.3557 -163.7704 -131.8819 559263.6365 13.3117 13.3098 PRESSURE: 4188800 -165.092 17.5533 -0.610013 17.554 365.881 -144.554 -0.609225 -144.555 -23.1704 GPRESSURE: 4188800 -134.468 -34.1379 -43.3679 11.1569 403.634 -176.822 -13.8357 -52.4032 6.82642 PRESSAVG: 4188800 -23.3581 52.3616 52.1731 52.3616 7.38951 0.681252 52.1731 0.681305 -1.14548 GPRESSAVG: 4188800 -22.0202 52.3972 52.0699 52.8524 7.37831 -1.21052 54.3603 4.30813 -1.91508 TIMING: 4188800 CPU: 12447.9, 0.00294769/step Wall: 12447.9, 0.00294769/step, 0.664213 hours remaining, 208.152344 MB of memory in use. ENERGY: 4188800 744.8328 2074.4180 1905.3456 127.5675 -206480.4711 18148.2243 0.0000 0.0000 34000.5530 -149479.5297 296.9353 -183480.0828 -149382.2033 298.1672 59.2063 91.9976 558319.3126 -5.7047 -5.5190 PRESSURE: 4189000 -199.513 -35.3109 -115.209 -35.3099 -244.507 107.201 -115.21 107.201 45.9026 GPRESSURE: 4189000 -185.288 13.3122 -92.9943 -10.1712 -178.54 186.396 -94.6312 38.0251 64.8385 PRESSAVG: 4189000 -62.6911 -34.3785 3.5549 -34.3786 4.00411 27.9871 3.55478 27.9871 31.1879 GPRESSAVG: 4189000 -62.8465 -32.9288 3.39331 -34.7599 4.47872 28.238 0.666101 27.2224 30.7071 TIMING: 4189000 CPU: 12448.5, 0.00295087/step Wall: 12448.5, 0.00295087/step, 0.664765 hours remaining, 208.152344 MB of memory in use. ENERGY: 4189000 741.5253 2090.6749 1933.2610 126.6019 -206290.9547 17721.7385 0.0000 0.0000 34247.1531 -149430.0000 299.0889 -183677.1531 -149333.4941 298.4374 -132.7059 -99.6631 556808.0593 -9.1664 -9.2202 PRESSURE: 4189200 -229.233 31.8759 -107.413 31.8768 -236.811 -38.8089 -107.413 -38.8097 -175.313 GPRESSURE: 4189200 -177.206 -86.0447 -70.2633 61.2865 -200.088 2.14762 -19.7294 32.0655 -164.334 PRESSAVG: 4189200 -102.301 -15.6131 -8.5344 -15.6131 61.7849 15.6058 -8.53448 15.6059 10.4352 GPRESSAVG: 4189200 -103.145 -18.2464 -9.10209 -15.0672 61.8804 14.465 -6.8463 16.5692 11.4331 TIMING: 4189200 CPU: 12449.1, 0.00293344/step Wall: 12449.1, 0.00293344/step, 0.660675 hours remaining, 208.152344 MB of memory in use. ENERGY: 4189200 729.9200 2114.4181 1948.0206 116.3936 -205973.4509 17486.7934 0.0000 0.0000 34158.2719 -149419.6332 298.3127 -183577.9051 -149319.7480 298.2166 -213.7857 -180.5425 558037.0558 -10.0271 -9.9438 PRESSURE: 4189400 -315.206 -53.454 24.2863 -53.4551 -28.9163 251.37 24.2861 251.37 176.3 GPRESSURE: 4189400 -275.101 -52.8177 -25.4603 -84.7138 18.0193 205.103 43.0177 342.411 188.848 PRESSAVG: 4189400 -88.7429 -44.356 0.514232 -44.3559 49.6381 -30.304 0.514233 -30.304 28.9497 GPRESSAVG: 4189400 -88.8942 -42.0888 -1.57075 -45.0698 48.8608 -26.6959 0.621621 -33.155 29.7485 TIMING: 4189400 CPU: 12449.6, 0.00292611/step Wall: 12449.6, 0.00292611/step, 0.658862 hours remaining, 208.152344 MB of memory in use. ENERGY: 4189400 712.8330 2033.3438 1923.8929 104.5945 -206064.5405 17673.7898 0.0000 0.0000 34134.6603 -149481.4262 298.1065 -183616.0865 -149379.4060 298.5887 -55.9408 -22.7444 556361.3168 -3.3850 -3.4283 PRESSURE: 4189600 19.1673 67.7788 1.17317 67.7791 192.641 42.1366 1.1723 42.1363 97.4672 GPRESSURE: 4189600 65.8657 74.6433 -3.30449 40.3533 192.094 20.0471 68.5065 61.5732 148.614 PRESSAVG: 4189600 -28.4294 -7.96507 1.97733 -7.96504 30.9929 69.2745 1.97724 69.2744 26.593 GPRESSAVG: 4189600 -27.8027 -8.91281 3.24397 -7.59079 31.3265 67.7211 3.24626 70.2482 25.0234 TIMING: 4189600 CPU: 12450.2, 0.00292842/step Wall: 12450.2, 0.00292842/step, 0.659219 hours remaining, 208.152344 MB of memory in use. ENERGY: 4189600 743.9784 2074.2939 1909.3152 124.0018 -206778.4233 17979.1272 0.0000 0.0000 34524.6467 -149423.0600 301.5123 -183947.7067 -149331.9811 298.3236 103.0919 135.5247 555902.6529 9.7188 9.5157 PRESSURE: 4189800 58.424 -36.4933 -5.96655 -36.4941 -81.3319 157.353 -5.96819 157.351 -14.5711 GPRESSURE: 4189800 50.4643 -27.3518 25.373 -38.2987 -36.5056 128.177 -80.1533 146.174 50.2772 PRESSAVG: 4189800 18.8825 -33.657 -0.485113 -33.657 -25.727 87.7754 -0.485008 87.7754 -29.2011 GPRESSAVG: 4189800 17.9868 -31.8888 1.22646 -35.5069 -26.1052 86.9121 -2.23164 90.4639 -28.6388 TIMING: 4189800 CPU: 12450.8, 0.00291937/step Wall: 12450.8, 0.00291937/step, 0.657021 hours remaining, 208.152344 MB of memory in use. ENERGY: 4189800 700.5364 2077.8041 1949.5175 102.2378 -205952.1963 17688.6441 0.0000 0.0000 34043.3969 -149390.0595 297.3095 -183433.4564 -149297.7632 298.2594 -12.4930 21.4120 557162.6094 -12.0152 -12.2524 PRESSURE: 4190000 -353.987 20.4879 -265.122 20.4868 -141.007 91.2055 -265.122 91.2044 -202.976 GPRESSURE: 4190000 -317.194 -3.84046 -260.745 -42.1075 -148.583 162.39 -223.207 -4.52705 -133.619 PRESSAVG: 4190000 -12.5154 -36.7572 15.8749 -36.7572 -15.7282 37.1597 15.8749 37.1597 71.6008 GPRESSAVG: 4190000 -11.4801 -39.5969 14.0432 -34.9562 -16.0926 37.4299 17.2897 35.4659 71.0874 TIMING: 4190000 CPU: 12451.4, 0.00293284/step Wall: 12451.4, 0.00293284/step, 0.659889 hours remaining, 208.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4190000 755.0086 2032.1824 1930.1828 118.3257 -205932.7506 17523.7228 0.0000 0.0000 34135.7117 -149437.6165 298.1157 -183573.3282 -149342.7356 298.3044 -232.6564 -199.7986 559392.9304 14.4524 14.5049 PRESSURE: 4190200 200.801 -99.0793 -159.101 -99.0794 37.5776 75.181 -159.102 75.1803 -299.767 GPRESSURE: 4190200 210.014 -62.3971 -231.522 -104.854 69.8122 5.55432 -183.415 193.565 -247.022 PRESSAVG: 4190200 0.077496 -47.3649 -3.47779 -47.3649 12.8438 39.2381 -3.47784 39.2382 -17.9949 GPRESSAVG: 4190200 -0.804264 -47.0668 -2.30376 -47.3995 12.6543 38.2765 -7.08374 39.835 -16.84 TIMING: 4190200 CPU: 12452, 0.00293014/step Wall: 12452, 0.00293014/step, 0.659119 hours remaining, 208.152344 MB of memory in use. ENERGY: 4190200 748.1508 2106.0494 1918.4707 117.5133 -206382.6312 17860.1470 0.0000 0.0000 34194.0405 -149438.2596 298.6251 -183632.3001 -149347.1337 298.5331 -20.4628 10.9347 557157.5141 -1.6912 -1.6633 PRESSURE: 4190400 10.4095 -43.7169 -88.8432 -43.7165 -40.136 -93.366 -88.8431 -93.3665 -68.3183 GPRESSURE: 4190400 39.2867 -1.84025 -70.348 -23.6966 -32.8528 -71.6544 -135.687 -128.485 1.55707 PRESSAVG: 4190400 -30.1586 -52.2276 46.6816 -52.2277 88.44 4.19453 46.6816 4.19448 -0.171321 GPRESSAVG: 4190400 -30.0201 -51.7324 45.0191 -52.1169 89.1604 6.1295 47.1559 2.03667 -1.35488 TIMING: 4190400 CPU: 12452.6, 0.00295837/step Wall: 12452.6, 0.00295837/step, 0.665306 hours remaining, 208.152344 MB of memory in use. ENERGY: 4190400 740.2371 2110.3272 1916.3238 115.1096 -206566.5850 17837.6963 0.0000 0.0000 34218.5380 -149628.3530 298.8390 -183846.8910 -149521.7793 298.7775 -32.6816 2.6636 556182.3554 19.3700 19.2618 PRESSURE: 4190600 -235.084 157.276 39.6475 157.276 -128.378 12.5871 39.6487 12.5871 -191.122 GPRESSURE: 4190600 -182.858 58.7228 -70.2257 161.789 -119.648 20.5755 92.4031 24.678 -158.756 PRESSAVG: 4190600 -21.5136 25.3907 19.5533 25.3907 66.9912 -1.15961 19.5533 -1.15958 -37.7535 GPRESSAVG: 4190600 -22.001 24.6095 20.0824 26.6298 66.8003 -4.1175 20.1605 1.07684 -36.9756 TIMING: 4190600 CPU: 12453.2, 0.00293241/step Wall: 12453.2, 0.00293241/step, 0.659304 hours remaining, 208.152344 MB of memory in use. ENERGY: 4190600 714.3040 2069.8947 1944.3335 112.0095 -206167.4847 17528.1407 0.0000 0.0000 34103.3785 -149695.4238 297.8333 -183798.8023 -149593.9080 298.9374 -184.8613 -153.7543 556674.4457 2.5747 2.6079 PRESSURE: 4190800 142.859 -223.659 -66.2538 -223.658 187.908 -96.9209 -66.2521 -96.9198 -108.575 GPRESSURE: 4190800 175.604 -183.475 -137.451 -189.837 193.308 -54.4516 -49.3725 -118.443 -47.4601 PRESSAVG: 4190800 -50.6163 -41.461 19.5508 -41.4609 68.0346 19.4699 19.5509 19.4698 -17.8717 GPRESSAVG: 4190800 -50.4401 -39.7216 19.0109 -44.4516 67.8129 22.0858 22.3353 17.9635 -17.6727 TIMING: 4190800 CPU: 12453.7, 0.00294269/step Wall: 12453.7, 0.00294269/step, 0.661451 hours remaining, 208.152344 MB of memory in use. ENERGY: 4190800 733.7991 2119.8485 1937.9045 113.6457 -206603.7669 17905.3680 0.0000 0.0000 34065.4399 -149727.7614 297.5020 -183793.2012 -149636.7161 298.0947 74.0640 107.1506 555219.9996 -0.1511 -0.1000 PRESSURE: 4191000 143.257 12.976 -16.7675 12.9768 94.3722 -151.675 -16.7675 -151.675 -19.4273 GPRESSURE: 4191000 121.685 12.1117 -18.2552 13.8622 175.688 -83.9161 55.2797 -146.658 23.3785 PRESSAVG: 4191000 -25.4076 -32.9653 27.7295 -32.9652 15.8233 -13.5322 27.7294 -13.5323 41.798 GPRESSAVG: 4191000 -25.049 -35.3447 29.0494 -31.7285 15.5731 -16.5062 24.381 -12.2466 41.6984 TIMING: 4191000 CPU: 12454.3, 0.00293067/step Wall: 12454.3, 0.00293067/step, 0.658586 hours remaining, 208.152344 MB of memory in use. ENERGY: 4191000 737.0478 2076.5084 1939.6220 108.5806 -206915.7565 18003.5818 0.0000 0.0000 34330.4763 -149719.9394 299.8166 -184050.4157 -149620.8458 298.2641 72.7340 106.9170 557003.6362 10.7379 10.7409 PRESSURE: 4191200 180.374 -30.7217 7.13853 -30.7223 22.931 65.1801 7.13765 65.1801 63.5295 GPRESSURE: 4191200 194.831 -11.9849 12.651 43.4353 84.1731 44.3306 2.41068 106.134 97.629 PRESSAVG: 4191200 61.7637 -54.6322 -26.3255 -54.6322 -29.4816 35.7308 -26.3255 35.7307 -62.3411 GPRESSAVG: 4191200 61.8369 -53.319 -26.6139 -52.7643 -28.9635 35.4261 -25.3697 37.438 -62.7524 TIMING: 4191200 CPU: 12454.9, 0.00292267/step Wall: 12454.9, 0.00292267/step, 0.656627 hours remaining, 208.152344 MB of memory in use. ENERGY: 4191200 764.0803 2126.6755 1906.3590 113.8854 -206627.7605 17928.7548 0.0000 0.0000 34285.3061 -149502.6994 299.4221 -183788.0055 -149410.1962 298.2907 88.9449 125.5444 554855.6808 -10.0197 -9.9597 PRESSURE: 4191400 -130.003 -151.044 129.236 -151.046 -150.279 -21.4209 129.236 -21.421 87.7209 GPRESSURE: 4191400 -70.472 -196.19 116.857 -93.0007 -133.436 49.016 118.57 13.2333 117.694 PRESSAVG: 4191400 72.7131 -44.8945 -28.0621 -44.8946 -0.919492 -30.5427 -28.0621 -30.5428 5.43331 GPRESSAVG: 4191400 72.6186 -45.2822 -26.4728 -46.3182 -0.633292 -28.1448 -26.9086 -34.3539 4.54868 TIMING: 4191400 CPU: 12455.5, 0.0029054/step Wall: 12455.5, 0.0029054/step, 0.652585 hours remaining, 208.152344 MB of memory in use. ENERGY: 4191400 757.5086 2133.6587 1909.4010 117.2030 -206527.2109 17904.1117 0.0000 0.0000 34042.2368 -149663.0911 297.2993 -183705.3279 -149568.4793 298.2523 -64.1871 -28.7380 557999.3127 25.7423 25.5113 PRESSURE: 4191600 102.448 -70.4509 -16.926 -70.4499 -94.6889 129.188 -16.9259 129.19 -4.12537 GPRESSURE: 4191600 133.291 -62.8466 -129.579 -55.867 -75.613 56.9809 -12.237 100.717 40.3337 PRESSAVG: 4191600 15.0265 -53.5975 2.27786 -53.5974 15.1581 -5.53962 2.27782 -5.53947 -14.639 GPRESSAVG: 4191600 14.0493 -54.194 0.398287 -52.1065 14.3273 -8.46429 1.82416 -3.43583 -13.1408 TIMING: 4191600 CPU: 12456.1, 0.00290506/step Wall: 12456.1, 0.00290506/step, 0.652347 hours remaining, 208.152344 MB of memory in use. ENERGY: 4191600 767.8373 2040.1378 1953.2137 105.9203 -206462.7322 17864.4838 0.0000 0.0000 34057.4899 -149673.6493 297.4325 -183731.1392 -149580.9122 297.7651 1.2113 32.6707 557029.8100 5.1819 5.0786 PRESSURE: 4191800 -22.0714 -29.75 68.7325 -29.7486 -121.792 77.6307 68.7332 77.6319 -251.093 GPRESSURE: 4191800 27.1531 -29.1809 14.0867 -49.6248 -68.0726 95.6612 51.8455 66.0129 -242.153 PRESSAVG: 4191800 68.0997 -46.6011 14.172 -46.6012 -40.6524 -7.52788 14.1719 -7.52795 -18.8951 GPRESSAVG: 4191800 68.0631 -46.5256 13.806 -47.2255 -39.5825 -6.5608 13.4696 -6.04409 -19.7562 TIMING: 4191800 CPU: 12456.7, 0.00293001/step Wall: 12456.7, 0.00293002/step, 0.657788 hours remaining, 208.152344 MB of memory in use. ENERGY: 4191800 798.1289 2105.8107 1953.6314 119.3918 -206378.9132 17630.2783 0.0000 0.0000 34154.4263 -149617.2457 298.2791 -183771.6720 -149521.8933 297.8261 -131.6524 -94.3575 556815.2370 2.8508 2.9081 PRESSURE: 4192000 -177.401 90.796 -110.145 90.7981 62.0552 -141.668 -110.147 -141.667 -276.125 GPRESSURE: 4192000 -125.667 113.788 -121.499 -23.7298 33.7848 -81.7898 -31.8697 -208.977 -191.099 PRESSAVG: 4192000 -16.2827 20.0172 17.6034 20.0171 -28.8526 -29.4133 17.6034 -29.4133 16.2949 GPRESSAVG: 4192000 -16.0938 21.8593 17.5642 20.2889 -28.5823 -27.1347 19.8391 -31.4003 16.3803 TIMING: 4192000 CPU: 12457.3, 0.0029295/step Wall: 12457.3, 0.00292949/step, 0.657509 hours remaining, 208.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4192000 784.1500 2083.1982 1918.3476 116.7158 -206036.4940 17675.0709 0.0000 0.0000 33947.5104 -149511.5011 296.4721 -183459.0115 -149412.1654 298.1210 -130.4902 -94.3272 559131.0747 -9.6135 -9.4319 PRESSURE: 4192200 60.0275 -13.4604 34.869 -13.4597 -216.477 66.2488 34.8674 66.2479 -2.33615 GPRESSURE: 4192200 56.0942 -5.12408 126.379 -35.4488 -145.239 77.6073 -104.434 82.5569 34.1467 PRESSAVG: 4192200 -47.26 -1.43186 -66.508 -1.43189 46.398 -48.1218 -66.5081 -48.1218 31.1292 GPRESSAVG: 4192200 -46.6719 -3.41838 -68.0452 -2.67075 45.7381 -49.3052 -68.3483 -48.3732 31.0426 TIMING: 4192200 CPU: 12457.8, 0.00291875/step Wall: 12457.8, 0.00291875/step, 0.654936 hours remaining, 208.152344 MB of memory in use. ENERGY: 4192200 756.7619 2050.4653 1934.3968 113.0685 -206435.2202 17852.2078 0.0000 0.0000 34025.8071 -149702.5128 297.1558 -183728.3199 -149604.3984 297.9379 -52.9285 -18.3326 558000.2832 10.0891 10.0362 LDB: ============= START OF LOAD BALANCING ============== 12461.4 LDB: ============== END OF LOAD BALANCING =============== 12461.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12461.4 LDB: ============= START OF LOAD BALANCING ============== 12461.7 LDB: Largest compute 4809 load 0.024044 is 20.3% of average load 0.118291 LDB: Average compute 0.001735 is 1.5% of average load 0.118291 LDB: TIME 12461.7 LOAD: AVG 0.118291 MAX 0.194813 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.309 MB LDB: TIME 12461.7 LOAD: AVG 0.118291 MAX 0.194813 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.309 MB LDB: TIME 12461.7 LOAD: AVG 0.118291 MAX 0.194813 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.309 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12461.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12461.7 PRESSURE: 4192400 30.0859 176.688 150.686 176.687 47.505 123.154 150.685 123.155 -76.6515 GPRESSURE: 4192400 56.3529 160.168 181.351 160.709 79.572 144.999 122.024 27.5186 -32.2086 PRESSAVG: 4192400 -22.129 -37.6055 12.3459 -37.6055 56.6316 4.71228 12.346 4.71232 -20.3807 GPRESSAVG: 4192400 -22.7349 -36.1918 13.0721 -36.7405 56.579 4.63844 13.4789 4.3957 -20.1001 TIMING: 4192400 CPU: 12458.4, 0.00295849/step Wall: 12458.4, 0.00295849/step, 0.663687 hours remaining, 207.187500 MB of memory in use. ENERGY: 4192400 747.2545 2111.7586 1921.1798 119.4244 -206446.8434 17869.7916 0.0000 0.0000 34226.6209 -149450.8136 298.9096 -183677.4345 -149360.0677 298.0502 0.3131 34.5721 557735.5291 4.7073 4.5813 PRESSURE: 4192600 60.0186 57.3127 87.2796 57.3134 -93.5296 -77.0944 87.2782 -77.0961 -53.18 GPRESSURE: 4192600 33.0333 3.75761 54.5461 54.5486 -11.2019 -27.8433 109.558 -166.027 -5.75107 PRESSAVG: 4192600 4.72365 -39.7675 27.5217 -39.7676 -3.13599 -37.6576 27.5217 -37.6576 -56.3251 GPRESSAVG: 4192600 3.72334 -40.6006 27.4259 -41.2001 -2.85071 -38.2779 28.8093 -38.4148 -55.1714 TIMING: 4192600 CPU: 12459, 0.00295434/step Wall: 12459, 0.00295434/step, 0.662593 hours remaining, 207.292969 MB of memory in use. ENERGY: 4192600 753.4322 2068.3112 1937.9539 116.3449 -206443.4907 17867.1675 0.0000 0.0000 34294.2452 -149406.0358 299.5002 -183700.2810 -149308.4206 298.2510 -28.8970 5.3601 557101.5384 -18.2458 -18.0996 PRESSURE: 4192800 -17.9913 -87.2023 -63.6235 -87.2025 58.2479 131.239 -63.6237 131.24 150.298 GPRESSURE: 4192800 65.3511 -50.8312 -39.807 -113.227 49.3027 165.806 -118.209 109.031 172.353 PRESSAVG: 4192800 -78.0802 -53.7406 3.48788 -53.7405 28.0507 30.1088 3.4879 30.1087 66.0779 GPRESSAVG: 4192800 -76.7961 -53.0392 4.44126 -54.5715 26.9428 30.3633 0.752817 31.2498 65.6356 TIMING: 4192800 CPU: 12459.6, 0.00294404/step Wall: 12459.6, 0.00294404/step, 0.660119 hours remaining, 207.292969 MB of memory in use. ENERGY: 4192800 775.2388 2122.4473 1943.4675 114.4078 -206702.2496 18191.1371 0.0000 0.0000 34124.5231 -149431.0281 298.0179 -183555.5512 -149342.9885 298.7921 63.5183 95.6691 556316.9966 5.3495 5.2607 PRESSURE: 4193000 -206.437 -28.9564 6.46782 -28.9563 94.7402 -39.7168 6.46733 -39.7161 154.337 GPRESSURE: 4193000 -150.555 -14.6842 -61.1182 -67.8759 59.8676 -5.85884 27.9883 -55.6122 227.282 PRESSAVG: 4193000 -17.5291 -52.195 -15.6785 -52.1949 5.14929 62.0606 -15.6785 62.0606 18.649 GPRESSAVG: 4193000 -18.2662 -51 -15.202 -51.6648 6.20781 62.6334 -15.3341 61.2437 17.7882 TIMING: 4193000 CPU: 12460.2, 0.00294082/step Wall: 12460.2, 0.00294082/step, 0.659235 hours remaining, 207.292969 MB of memory in use. ENERGY: 4193000 755.4368 2103.6835 1959.4840 106.2055 -206465.4478 17677.5188 0.0000 0.0000 34254.7094 -149608.4097 299.1549 -183863.1191 -149512.4058 298.4682 14.2133 45.5315 555672.3376 2.0897 1.9099 PRESSURE: 4193200 0.821739 140.376 31.7671 140.376 -255.969 56.1107 31.7693 56.1111 -56.4819 GPRESSURE: 4193200 -9.12709 153.35 -25.4631 157.354 -181.882 94.067 35.8684 -80.5585 -23.4101 PRESSAVG: 4193200 -34.3423 34.8165 20.4076 34.8165 -2.92545 63.1919 20.4077 63.1919 17.842 GPRESSAVG: 4193200 -33.4768 34.0329 19.365 36.2242 -4.42597 61.9285 19.3242 64.5473 18.523 TIMING: 4193200 CPU: 12460.8, 0.00291629/step Wall: 12460.8, 0.00291629/step, 0.653573 hours remaining, 207.292969 MB of memory in use. ENERGY: 4193200 730.3148 2049.4745 1912.0671 100.8842 -206197.8530 17697.5050 0.0000 0.0000 34195.4836 -149512.1238 298.6377 -183707.6074 -149421.1588 298.2332 -103.8763 -71.4732 558399.2089 -6.4753 -6.4599 PRESSURE: 4193400 -46.8705 -21.7295 -43.0149 -21.73 119.669 12.5862 -43.0146 12.5865 24.4124 GPRESSURE: 4193400 -6.62464 -99.7106 -51.374 37.3575 139.334 24.535 -49.8645 -12.7188 66.6477 PRESSAVG: 4193400 -27.9204 22.2723 17.975 22.2724 5.66845 -5.04584 17.975 -5.04579 33.1482 GPRESSAVG: 4193400 -28.1709 22.1596 19.2821 21.8371 6.60786 -5.53519 20.5865 -5.05289 33.2032 TIMING: 4193400 CPU: 12461.4, 0.0029354/step Wall: 12461.4, 0.0029354/step, 0.657692 hours remaining, 207.292969 MB of memory in use. ENERGY: 4193400 761.9036 2031.6054 1948.6872 124.2059 -206376.9784 18080.8051 0.0000 0.0000 34076.1741 -149353.5972 297.5957 -183429.7713 -149257.2461 298.6267 32.4038 66.4523 558785.1044 3.6321 3.8801 PRESSURE: 4193600 135.616 -1.83804 -181.485 -1.83745 62.8289 2.93012 -181.484 2.93237 339.776 GPRESSURE: 4193600 250.414 49.4865 -222.148 -80.6263 74.9621 34.9866 -139.897 -30.5141 314.687 PRESSAVG: 4193600 -73.0162 -55.8551 1.06304 -55.8552 -14.9013 58.5649 1.06309 58.5648 64.5116 GPRESSAVG: 4193600 -73.5054 -53.7553 -0.701833 -56.4366 -14.9114 60.0581 0.777905 58.8152 65.4373 TIMING: 4193600 CPU: 12461.9, 0.00292486/step Wall: 12461.9, 0.00292486/step, 0.655169 hours remaining, 207.292969 MB of memory in use. ENERGY: 4193600 718.5788 2047.7963 1946.4206 127.7380 -205954.3246 17874.1211 0.0000 0.0000 34119.8178 -149119.8520 297.9769 -183239.6698 -149018.5108 298.7256 179.4069 213.3542 558790.9839 -7.8020 -7.6598 PRESSURE: 4193800 30.7169 -101.452 32.5196 -101.453 -160.653 -77.3244 32.5184 -77.327 -277.2 GPRESSURE: 4193800 -27.3408 -69.1629 -22.0169 -118.148 -89.8071 -95.0426 154.906 -46.6869 -196.327 PRESSAVG: 4193800 4.87195 -1.89102 -14.9888 -1.89101 -31.0725 22.2086 -14.9888 22.2085 17.6947 GPRESSAVG: 4193800 5.10133 -3.64266 -15.0783 -1.73915 -30.8708 23.1025 -17.4627 21.4194 17.2502 TIMING: 4193800 CPU: 12462.5, 0.00291524/step Wall: 12462.5, 0.00291524/step, 0.652852 hours remaining, 207.292969 MB of memory in use. ENERGY: 4193800 744.6477 2083.5615 1945.7192 120.6661 -205889.1776 17628.5055 0.0000 0.0000 34233.5917 -149132.4860 298.9705 -183366.0777 -149034.4072 299.8377 -135.7119 -104.4915 559718.2935 -2.8353 -2.8397 PRESSURE: 4194000 131.887 22.7082 133.894 22.7083 -53.7414 -75.1771 133.895 -75.1778 -29.7618 GPRESSURE: 4194000 144.957 7.33037 174.168 67.5622 -52.678 -94.0632 135.233 -82.1496 54.9522 PRESSAVG: 4194000 55.0333 -28.083 15.0862 -28.083 23.0989 -8.60289 15.0863 -8.60302 -45.9427 GPRESSAVG: 4194000 54.6007 -28.9826 16.2114 -28.4483 23.413 -9.76901 14.3559 -7.44425 -46.056 TIMING: 4194000 CPU: 12463.1, 0.0029113/step Wall: 12463.1, 0.0029113/step, 0.651808 hours remaining, 207.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4194000 752.6885 2099.9302 1949.5739 110.3977 -206094.8518 17844.7220 0.0000 0.0000 34259.3152 -149078.2242 299.1951 -183337.5395 -148981.2584 299.4042 16.1279 49.0770 558708.6687 10.7298 10.6526 PRESSURE: 4194200 159.944 71.0976 103.369 71.0983 106.455 -157.182 103.37 -157.18 -98.7426 GPRESSURE: 4194200 272.104 6.3394 58.0685 97.3552 90.7713 -97.301 55.3454 -140.745 -93.2523 PRESSAVG: 4194200 3.73233 -3.62599 15.9454 -3.62607 -15.4562 -22.5909 15.9455 -22.5909 22.1518 GPRESSAVG: 4194200 4.39806 -3.20429 13.3963 -2.80987 -16.3508 -22.6454 16.288 -23.1654 21.8046 TIMING: 4194200 CPU: 12463.7, 0.00294128/step Wall: 12463.7, 0.00294128/step, 0.658356 hours remaining, 207.292969 MB of memory in use. ENERGY: 4194200 762.3671 2092.9721 1955.0296 111.8159 -206227.2802 18013.0379 0.0000 0.0000 34201.3925 -149090.6651 298.6893 -183292.0576 -148999.6596 299.4945 55.8855 89.8743 559358.3866 3.4760 3.2840 PRESSURE: 4194400 88.9541 5.09596 35.1645 5.09523 -256.686 -238.007 35.165 -238.007 -15.3597 GPRESSURE: 4194400 139.438 15.6319 90.2071 -23.8843 -204.581 -190.232 32.7291 -275.195 -10.8515 PRESSAVG: 4194400 75.6111 8.95404 -13.3542 8.95391 -29.3431 -47.3111 -13.3542 -47.3111 -50.4837 GPRESSAVG: 4194400 75.1563 8.86575 -10.1653 9.75777 -28.5822 -45.982 -14.2286 -47.6391 -51.4489 TIMING: 4194400 CPU: 12464.3, 0.00295642/step Wall: 12464.3, 0.00295642/step, 0.661581 hours remaining, 207.292969 MB of memory in use. ENERGY: 4194400 706.4235 2163.8350 1970.8464 108.5202 -206001.2180 17764.0633 0.0000 0.0000 34260.5471 -149026.9825 299.2059 -183287.5296 -148929.1505 300.1461 -61.0305 -25.3313 558241.2967 -1.4052 -1.6249 PRESSURE: 4194600 -31.1615 113.58 -36.3681 113.581 -18.8161 61.6461 -36.3684 61.6468 -70.5575 GPRESSURE: 4194600 38.4204 78.1526 65.1547 162.815 23.3402 131.025 -26.3373 42.8915 -76.426 PRESSAVG: 4194600 10.8652 10.6194 23.5591 10.6194 -10.9494 -20.0815 23.5592 -20.0815 -23.211 GPRESSAVG: 4194600 11.0333 11.0431 21.418 8.37932 -11.9542 -20.2666 25.8699 -19.1634 -21.9944 TIMING: 4194600 CPU: 12464.9, 0.00299243/step Wall: 12464.9, 0.00299243/step, 0.669473 hours remaining, 207.292969 MB of memory in use. ENERGY: 4194600 720.6768 2100.0879 1941.5975 116.9512 -205914.3383 17718.6250 0.0000 0.0000 34106.4341 -149209.9659 297.8600 -183316.4000 -149109.2326 299.4747 -40.1784 -4.8884 556620.6849 -7.7651 -7.6384 PRESSURE: 4194800 -369.845 58.9358 113.236 58.9357 -134.889 18.455 113.234 18.4545 -167.593 GPRESSURE: 4194800 -348.948 69.9583 95.2307 112.347 -97.2481 -81.3395 9.99178 65.7998 -116.285 PRESSAVG: 4194800 -8.73975 19.7321 -47.8555 19.7321 -2.9107 -13.2706 -47.8554 -13.2707 39.0893 GPRESSAVG: 4194800 -8.2918 18.0997 -47.5695 22.3299 -3.67273 -13.8512 -49.5531 -14.1379 39.3983 TIMING: 4194800 CPU: 12465.5, 0.00297975/step Wall: 12465.5, 0.00297975/step, 0.666471 hours remaining, 207.292969 MB of memory in use. ENERGY: 4194800 792.3088 2111.6956 1971.2127 111.8197 -205987.4586 17544.3798 0.0000 0.0000 34289.7334 -149166.3087 299.4608 -183456.0421 -149067.5181 299.6504 -224.1089 -187.4936 557772.1654 9.1463 9.1446 PRESSURE: 4195000 148.841 16.6903 77.6531 16.6907 -215.536 60.4042 77.6543 60.4027 26.9957 GPRESSURE: 4195000 110.6 -0.895769 42.8208 -7.85358 -146.652 61.1482 24.8344 63.5843 89.7622 PRESSAVG: 4195000 26.8128 49.2387 -57.2649 49.2387 -79.4042 -21.5327 -57.2649 -21.5326 0.857161 GPRESSAVG: 4195000 26.158 51.1469 -58.2346 48.7177 -78.3155 -21.0022 -53.3453 -21.2729 0.259253 TIMING: 4195000 CPU: 12466.1, 0.00300873/step Wall: 12466.1, 0.00300873/step, 0.672785 hours remaining, 207.292969 MB of memory in use. ENERGY: 4195000 751.5888 2084.0334 1933.6138 113.9426 -206150.9461 17752.9839 0.0000 0.0000 34290.8809 -149223.9027 299.4708 -183514.7836 -149127.2699 299.5075 -13.2329 17.9033 557478.9755 -17.2447 -17.2994 PRESSURE: 4195200 -213.015 -102.528 144.553 -102.527 -26.4904 -53.9144 144.554 -53.9142 -93.3472 GPRESSURE: 4195200 -222.259 -170.09 121.4 -101.962 13.0536 84.9959 168.202 -110.962 -27.4477 PRESSAVG: 4195200 -10.2678 -63.9777 61.658 -63.9777 -92.8139 -0.604766 61.6581 -0.604842 68.4979 GPRESSAVG: 4195200 -9.42467 -67.1457 62.2375 -63.6812 -92.762 0.323822 58.9137 -1.56478 68.006 TIMING: 4195200 CPU: 12466.7, 0.00295038/step Wall: 12466.7, 0.00295037/step, 0.659573 hours remaining, 207.292969 MB of memory in use. ENERGY: 4195200 764.1165 2058.5396 1952.4017 106.4882 -205852.7487 17590.9820 0.0000 0.0000 34326.0168 -149054.2037 299.7776 -183380.2205 -148956.1427 298.7437 -110.9508 -78.8844 557570.8129 -11.5280 -11.3935 PRESSURE: 4195400 81.8106 131.146 -47.885 131.145 43.661 2.99904 -47.8854 2.99932 18.5059 GPRESSURE: 4195400 143.329 109.084 52.4254 198.781 -5.69739 22.0778 -90.5796 77.5455 108.745 PRESSAVG: 4195400 -62.2152 -64.3679 38.3892 -64.3678 26.1064 -41.8122 38.3893 -41.8122 62.6873 GPRESSAVG: 4195400 -61.6402 -61.9587 38.3266 -66.2915 25.6448 -43.8845 39.7383 -39.1421 63.1288 TIMING: 4195400 CPU: 12467.3, 0.00294901/step Wall: 12467.3, 0.00294901/step, 0.659104 hours remaining, 207.292969 MB of memory in use. ENERGY: 4195400 756.4338 2060.7733 1930.7715 114.4573 -205949.2685 17860.5722 0.0000 0.0000 34179.3371 -149046.9232 298.4967 -183226.2603 -148948.1879 299.4965 47.9925 82.1254 558465.9932 8.8595 9.0445 PRESSURE: 4195600 113.237 40.7129 -9.8541 40.7123 315.466 -51.9369 -9.85634 -51.9378 211.72 GPRESSURE: 4195600 151.867 -6.82927 43.7254 76.64 348.112 -14.2483 -0.936616 -71.0021 237.84 PRESSAVG: 4195600 -90.8596 -26.325 26.0917 -26.3251 57.4983 -3.39076 26.0917 -3.39065 40.2598 GPRESSAVG: 4195600 -91.9327 -24.5347 27.5328 -25.9449 58.027 -4.05101 26.1965 -5.83103 40.8111 TIMING: 4195600 CPU: 12467.9, 0.00293681/step Wall: 12467.9, 0.00293681/step, 0.656213 hours remaining, 207.292969 MB of memory in use. ENERGY: 4195600 719.9428 2038.3866 1938.9571 111.2103 -206356.0220 18092.5528 0.0000 0.0000 34345.9043 -149109.0680 299.9513 -183454.9723 -149018.6855 299.9677 213.4744 245.9399 555798.3461 2.2995 2.3018 PRESSURE: 4195800 126.883 -28.1457 -4.73993 -28.1473 76.37 -3.60233 -4.73999 -3.60276 55.2367 GPRESSURE: 4195800 169.824 -58.5009 85.0288 15.3336 51.2494 -48.3341 38.0769 -38.6934 134.78 PRESSAVG: 4195800 32.7866 -15.932 -50.2556 -15.932 11.2454 19.4937 -50.2557 19.4938 -6.99994 GPRESSAVG: 4195800 33.8466 -16.1451 -51.7699 -14.8845 11.5378 20.9142 -49.0007 19.8467 -8.84163 TIMING: 4195800 CPU: 12468.4, 0.0029302/step Wall: 12468.4, 0.0029302/step, 0.654574 hours remaining, 207.292969 MB of memory in use. ENERGY: 4195800 723.3194 2105.6013 1953.4629 108.9748 -206239.1122 17949.4395 0.0000 0.0000 34267.7554 -149130.5589 299.2688 -183398.3143 -149032.9863 299.8384 86.1631 118.6176 557279.0174 12.3440 12.1809 PRESSURE: 4196000 -140.813 -107.521 -122.695 -107.522 -5.45371 -76.4504 -122.696 -76.4496 -218.722 GPRESSURE: 4196000 -156.008 -127.459 -1.87183 -160.14 73.5728 -159.629 -150.189 -42.7789 -205.283 PRESSAVG: 4196000 1.8709 19.9588 19.1005 19.9589 23.8835 -10.3573 19.1005 -10.3573 22.2755 GPRESSAVG: 4196000 1.47718 20.0358 20.5368 17.5615 23.6866 -10.1065 16.968 -10.9513 23.4141 TIMING: 4196000 CPU: 12469, 0.00295276/step Wall: 12469, 0.00295276/step, 0.659449 hours remaining, 207.292969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4196000 767.5595 2155.6952 1918.5509 117.5938 -205936.1130 17596.1161 0.0000 0.0000 34276.0963 -149104.5012 299.3417 -183380.5976 -149011.4905 299.3586 -121.6628 -95.9062 558080.5846 16.0099 16.1926 PRESSURE: 4196200 -81.5211 -43.5734 122.358 -43.5735 60.7193 154.528 122.358 154.526 -69.8732 GPRESSURE: 4196200 -55.3798 44.175 151.39 -69.6058 72.506 247.243 61.6409 158.612 -8.35223 PRESSAVG: 4196200 35.321 77.6657 -8.39405 77.6657 47.1549 29.4856 -8.39404 29.4856 -90.5357 GPRESSAVG: 4196200 35.3716 78.0056 -10.4426 79.3957 45.8631 29.1619 -6.7126 29.1308 -89.5115 TIMING: 4196200 CPU: 12469.6, 0.00295996/step Wall: 12469.6, 0.00295996/step, 0.660894 hours remaining, 207.292969 MB of memory in use. ENERGY: 4196200 760.1965 2067.0809 1937.8012 114.4834 -206096.7370 17815.8874 0.0000 0.0000 34352.7336 -149048.5540 300.0110 -183401.2876 -148946.9614 299.5673 -30.2250 2.9247 557456.8490 -2.6866 -2.7589 LDB: ============= START OF LOAD BALANCING ============== 12473.2 LDB: ============== END OF LOAD BALANCING =============== 12473.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12473.2 LDB: ============= START OF LOAD BALANCING ============== 12473.5 LDB: Largest compute 4809 load 0.024520 is 20.7% of average load 0.118285 LDB: Average compute 0.001734 is 1.5% of average load 0.118285 LDB: TIME 12473.5 LOAD: AVG 0.118285 MAX 0.196154 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 12473.5 LOAD: AVG 0.118285 MAX 0.196154 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.453 MB LDB: TIME 12473.5 LOAD: AVG 0.118285 MAX 0.196154 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.453 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12473.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12473.5 PRESSURE: 4196400 216.613 41.329 -8.42847 41.3289 148.761 -14.6692 -8.42812 -14.6704 146.304 GPRESSURE: 4196400 221.836 71.3147 0.994266 -14.2536 191.276 8.21298 -0.864639 -21.9876 204.105 PRESSAVG: 4196400 -30.3842 10.5533 16.123 10.5534 25.4838 69.5594 16.1229 69.5593 21.9122 GPRESSAVG: 4196400 -30.3856 9.13446 17.1723 12.3599 26.3009 72.1304 14.9115 69.4906 21.055 TIMING: 4196400 CPU: 12470.2, 0.00300432/step Wall: 12470.2, 0.00300432/step, 0.670632 hours remaining, 207.511719 MB of memory in use. ENERGY: 4196400 703.7355 2143.5421 1925.9647 116.8845 -206206.0505 17910.0663 0.0000 0.0000 34419.6474 -148986.2099 300.5953 -183405.8573 -148887.2432 299.9652 170.5596 205.7389 557372.8405 5.6706 5.6568 PRESSURE: 4196600 -139.879 96.3806 -75.5722 96.3796 60.1089 137.134 -75.5726 137.134 199.637 GPRESSURE: 4196600 -80.9035 -13.4035 -162.817 96.6903 77.4079 115.88 -6.31464 188.896 222.792 PRESSAVG: 4196600 -11.9982 6.10945 -16.0708 6.10935 29.2301 58.626 -16.0707 58.6259 36.1776 GPRESSAVG: 4196600 -11.9754 5.65718 -16.8967 2.99006 30.0762 56.3471 -16.6485 61.2745 35.3581 TIMING: 4196600 CPU: 12470.8, 0.002907/step Wall: 12470.8, 0.002907/step, 0.648747 hours remaining, 207.511719 MB of memory in use. ENERGY: 4196600 762.9634 2185.9569 1918.3332 112.2659 -205994.1844 17694.6282 0.0000 0.0000 34372.1138 -148947.9231 300.1802 -183320.0369 -148849.9427 299.4571 39.9555 73.0989 557819.1460 17.8032 17.8196 PRESSURE: 4196800 344.288 -63.2015 -140.858 -63.2009 118.095 210.016 -140.86 210.015 160.1 GPRESSURE: 4196800 373.478 -48.8939 -156.93 -53.8685 127.86 99.0592 -121.415 296.941 223.117 PRESSAVG: 4196800 33.284 -21.7854 -13.4359 -21.7853 -28.8978 35.4603 -13.4359 35.4603 -19.1206 GPRESSAVG: 4196800 31.3274 -20.8554 -12.2299 -21.5795 -28.0224 35.4544 -12.0828 32.9684 -17.9479 TIMING: 4196800 CPU: 12471.4, 0.00292145/step Wall: 12471.4, 0.00292145/step, 0.651807 hours remaining, 207.511719 MB of memory in use. ENERGY: 4196800 755.3831 2084.4104 1929.0823 103.1489 -206482.6367 18221.9544 0.0000 0.0000 34467.6131 -148921.0446 301.0142 -183388.6577 -148824.6928 300.0524 207.4946 241.4850 558285.1497 -4.9115 -4.8809 PRESSURE: 4197000 -186.753 52.6034 86.2439 52.604 68.172 6.9362 86.243 6.93615 -229.243 GPRESSURE: 4197000 -141.264 -57.2114 98.8848 98.7222 81.8545 17.7243 45.8683 50.2673 -186.138 PRESSAVG: 4197000 20.5393 -24.5946 -22.2595 -24.5946 16.7381 17.3951 -22.2595 17.3952 6.82277 GPRESSAVG: 4197000 22.0061 -26.125 -23.9104 -23.4371 15.258 17.7636 -23.0526 19.0865 6.78093 TIMING: 4197000 CPU: 12472, 0.00294591/step Wall: 12472, 0.00294591/step, 0.657102 hours remaining, 207.511719 MB of memory in use. ENERGY: 4197000 726.2387 2086.4084 1926.0685 118.7346 -205528.3490 17576.8717 0.0000 0.0000 34289.6734 -148804.3538 299.4602 -183094.0272 -148709.4105 300.8660 -115.9412 -81.8492 558906.1488 14.7000 14.6817 PRESSURE: 4197200 -160.599 106.249 -135.824 106.25 211.421 189.349 -135.824 189.349 -6.11156 GPRESSURE: 4197200 -113.196 20.8399 -116.628 93.2184 225.81 126.084 -110.818 163.348 15.1125 PRESSAVG: 4197200 9.7033 -25.0329 -7.3417 -25.033 12.3553 57.8892 -7.34176 57.8893 -1.34881 GPRESSAVG: 4197200 8.42546 -24.9311 -4.09643 -26.4933 13.371 59.1181 -8.4256 54.8447 -1.79395 TIMING: 4197200 CPU: 12472.6, 0.00292826/step Wall: 12472.6, 0.00292826/step, 0.653001 hours remaining, 207.511719 MB of memory in use. ENERGY: 4197200 729.1721 2092.3590 1946.5447 102.4237 -205857.8286 17766.6991 0.0000 0.0000 34430.2401 -148790.3898 300.6879 -183220.6299 -148690.3306 300.4685 14.9034 42.5757 557350.8331 6.9033 6.6675 PRESSURE: 4197400 69.925 -287.016 -58.9537 -287.016 -190.427 -76.854 -58.9543 -76.8543 -4.7262 GPRESSURE: 4197400 106.653 -327.521 -80.6427 -241.264 -150.882 -30.134 -56.7002 -127.622 22.2275 PRESSAVG: 4197400 9.843 -53.5213 9.48024 -53.5213 11.7692 -4.63724 9.4802 -4.63727 -25.805 GPRESSAVG: 4197400 11.1511 -52.5441 8.5389 -52.4228 11.183 -7.88649 9.87182 -2.57443 -26.0352 TIMING: 4197400 CPU: 12473.2, 0.00296089/step Wall: 12473.2, 0.00296089/step, 0.660115 hours remaining, 207.511719 MB of memory in use. ENERGY: 4197400 753.1188 2115.8396 1930.9358 117.9287 -206022.4200 17737.4244 0.0000 0.0000 34559.1856 -148807.9870 301.8140 -183367.1726 -148713.2907 301.0049 -41.7426 -7.3339 556450.2803 -1.3976 -1.2337 PRESSURE: 4197600 -137.79 -11.6079 4.00699 -11.6077 332.645 -52.5361 4.00794 -52.5344 -29.5528 GPRESSURE: 4197600 -102.735 66.1648 -21.4684 -1.15574 356.891 -52.2472 65.6796 -53.4955 1.36887 PRESSAVG: 4197600 21.3919 -9.65753 15.303 -9.65752 33.463 -88.1754 15.3028 -88.1755 -42.1959 GPRESSAVG: 4197600 21.0981 -10.6653 14.083 -6.82018 32.7624 -86.1808 14.792 -88.7302 -41.7103 TIMING: 4197600 CPU: 12473.7, 0.00292933/step Wall: 12473.7, 0.00292934/step, 0.652916 hours remaining, 207.511719 MB of memory in use. ENERGY: 4197600 715.6896 2041.5415 1943.8161 114.2382 -206442.9104 18018.4856 0.0000 0.0000 34521.6235 -149087.5159 301.4859 -183609.1394 -148995.8857 300.2929 55.1007 85.1748 557210.1419 4.2196 4.0501 PRESSURE: 4197800 -77.1082 -34.8931 105.453 -34.893 -117 -147.053 105.452 -147.052 -34.9199 GPRESSURE: 4197800 -37.7826 -11.0383 119.665 -4.36801 -98.4443 -142.952 134.021 -87.1654 17.8201 PRESSAVG: 4197800 -31.2356 25.9761 40.4109 25.976 10.7999 -6.0165 40.4108 -6.01636 32.3448 GPRESSAVG: 4197800 -31.7209 25.9529 40.2025 23.6845 12.0581 -8.35575 40.9803 -4.79249 32.0306 TIMING: 4197800 CPU: 12474.3, 0.00293368/step Wall: 12474.3, 0.00293368/step, 0.653722 hours remaining, 207.511719 MB of memory in use. ENERGY: 4197800 758.5244 2081.0179 1921.3670 110.3106 -206396.6704 17884.1902 0.0000 0.0000 34471.2931 -149169.9671 301.0464 -183641.2602 -149068.0267 300.6785 -76.3426 -39.4689 557060.2163 3.9697 4.1226 PRESSURE: 4198000 -256.922 -87.8409 -15.584 -87.8397 -154.796 119.995 -15.5837 119.993 -46.0174 GPRESSURE: 4198000 -210.486 -12.0079 6.50962 -136.795 -121.066 110.81 -45.2831 156.592 -25.4409 PRESSAVG: 4198000 12.3543 45.3733 21.6774 45.3733 63.6442 -46.6404 21.6773 -46.6403 -66.2288 GPRESSAVG: 4198000 12.1132 47.4357 20.0156 43.5937 62.5459 -44.8439 21.4214 -47.556 -65.0418 TIMING: 4198000 CPU: 12474.9, 0.00293932/step Wall: 12474.9, 0.00293932/step, 0.654815 hours remaining, 207.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4198000 763.7084 2083.3701 1948.6752 123.9474 -206018.3344 17493.9810 0.0000 0.0000 34185.0369 -149419.6155 298.5464 -183604.6524 -149317.8396 299.7475 -152.5784 -118.9975 556440.8115 3.2565 3.2058 PRESSURE: 4198200 149.933 -28.4804 -21.9229 -28.4805 157.449 129.246 -21.9233 129.247 289.511 GPRESSURE: 4198200 160.5 -14.8535 0.213133 -40.0908 209.159 212.627 35.3557 137.274 322.947 PRESSAVG: 4198200 -57.0961 15.1433 5.17832 15.1433 122.16 54.7122 5.17833 54.7123 -51.5271 GPRESSAVG: 4198200 -56.228 14.1874 5.24267 16.4262 122.323 55.6341 7.31217 53.9468 -52.489 TIMING: 4198200 CPU: 12475.5, 0.00293714/step Wall: 12475.5, 0.00293714/step, 0.654167 hours remaining, 207.511719 MB of memory in use. ENERGY: 4198200 694.5526 2087.7656 1921.8295 115.9703 -206427.7476 17911.8770 0.0000 0.0000 34403.9701 -149291.7824 300.4584 -183695.7525 -149191.4961 299.0179 198.9644 230.8687 554754.3319 4.5122 4.5352 PRESSURE: 4198400 95.8946 103.376 -42.7531 103.377 -28.2105 100.622 -42.7534 100.622 -65.7356 GPRESSURE: 4198400 123.504 139.638 -9.97169 21.5509 7.02666 193.463 -114.49 50.6215 -31.3986 PRESSAVG: 4198400 33.4173 -11.6094 -14.8188 -11.6095 -18.5769 18.6633 -14.8189 18.6633 20.0776 GPRESSAVG: 4198400 31.9805 -10.6013 -12.7602 -13.6667 -17.5341 18.8805 -17.974 17.6113 20.4919 TIMING: 4198400 CPU: 12476.1, 0.00292835/step Wall: 12476.1, 0.00292835/step, 0.652047 hours remaining, 207.511719 MB of memory in use. ENERGY: 4198400 754.7002 2139.6919 1934.8652 111.9185 -206395.0467 17805.0935 0.0000 0.0000 34243.9570 -149404.8204 299.0610 -183648.7774 -149302.8178 299.3211 0.6495 33.0439 555638.4832 11.6393 11.6461 PRESSURE: 4198600 226.861 -52.9771 -177.028 -52.9764 105.791 -81.6265 -177.027 -81.6276 -199.437 GPRESSURE: 4198600 214.131 -50.6468 -132.42 -46.9621 170.782 -41.8098 -129.593 -10.8207 -164.344 PRESSAVG: 4198600 -8.97217 37.9614 -49.6304 37.9614 -1.39649 -5.39192 -49.6304 -5.39195 -21.3818 GPRESSAVG: 4198600 -7.00291 35.0587 -49.1241 39.7851 -2.32228 -5.63733 -49.4062 -5.04149 -22.4965 TIMING: 4198600 CPU: 12476.7, 0.00294166/step Wall: 12476.7, 0.00294166/step, 0.654847 hours remaining, 207.511719 MB of memory in use. ENERGY: 4198600 762.4069 2166.9578 1924.8380 97.1652 -206387.1262 17891.9274 0.0000 0.0000 34303.0227 -149240.8082 299.5768 -183543.8309 -149148.2660 299.1756 44.4047 73.5231 556831.5558 -10.5835 -10.6072 PRESSURE: 4198800 -125.334 144.189 -124.765 144.19 -123.28 41.2094 -124.766 41.2092 -22.3959 GPRESSURE: 4198800 -106.802 112.054 -95.6277 68.6454 -75.1726 53.0056 -152.077 19.9922 10.0687 PRESSAVG: 4198800 -58.5896 -41.9026 -16.7229 -41.9026 47.5799 1.81645 -16.7228 1.81649 37.2658 GPRESSAVG: 4198800 -59.2293 -40.2497 -17.024 -41.1717 47.8063 2.25743 -15.7572 2.12001 37.7432 TIMING: 4198800 CPU: 12477.3, 0.00291979/step Wall: 12477.3, 0.00291979/step, 0.649816 hours remaining, 207.511719 MB of memory in use. ENERGY: 4198800 733.7321 2096.9430 1926.7891 121.0603 -205961.8310 17565.6270 0.0000 0.0000 34297.5573 -149220.1223 299.5291 -183517.6795 -149124.1641 299.0713 -90.3369 -57.3019 557704.7291 8.7520 8.7734 PRESSURE: 4199000 -296.171 -43.058 42.1156 -43.0582 120.156 -244.581 42.1156 -244.581 222.89 GPRESSURE: 4199000 -265.45 29.5454 20.7562 -58.1171 198.831 -312.388 49.713 -233.92 202.921 PRESSAVG: 4199000 -23.4965 3.40272 -35.9515 3.40271 27.1128 -6.8959 -35.9515 -6.89583 -8.4275 GPRESSAVG: 4199000 -22.2458 4.43268 -36.2965 3.629 26.5028 -7.5403 -35.9301 -5.35045 -9.58713 TIMING: 4199000 CPU: 12477.9, 0.00292131/step Wall: 12477.9, 0.00292131/step, 0.649991 hours remaining, 207.769531 MB of memory in use. ENERGY: 4199000 746.1989 2122.3240 1900.7480 113.1841 -206539.8028 17977.2948 0.0000 0.0000 34468.0440 -149212.0090 301.0180 -183680.0530 -149117.0042 299.4276 15.6250 45.4339 557820.9249 -1.6038 -1.7767 PRESSURE: 4199200 206.567 -68.6821 -49.8293 -68.6821 176.246 191.697 -49.83 191.696 45.231 GPRESSURE: 4199200 197.937 -59.7368 -16.8253 -94.7358 216.043 117.039 -16.838 271.597 122.023 PRESSAVG: 4199200 -9.16189 14.2177 -29.6023 14.2177 0.51186 -22.3686 -29.6022 -22.3686 -23.3673 GPRESSAVG: 4199200 -9.09426 14.7665 -30.2044 12.1286 1.58106 -22.9981 -30.3327 -23.1001 -24.0951 TIMING: 4199200 CPU: 12478.4, 0.00293157/step Wall: 12478.4, 0.00293157/step, 0.652112 hours remaining, 207.769531 MB of memory in use. ENERGY: 4199200 735.7041 2091.8862 1928.5955 107.7522 -206213.5742 17911.0656 0.0000 0.0000 34192.7952 -149245.7754 298.6142 -183438.5706 -149144.7039 299.2743 142.6814 178.6676 558362.9428 -10.6724 -10.5361 PRESSURE: 4199400 25.4843 -40.2013 -39.2717 -40.2016 -134.377 59.3128 -39.2714 59.3139 -274.998 GPRESSURE: 4199400 22.7787 -120.15 11.7487 7.07229 -123.608 -12.1649 -101.664 103.332 -182.459 PRESSAVG: 4199400 -44.9712 -20.4244 -30.6923 -20.4244 28.6447 -2.77897 -30.6924 -2.77892 18.5319 GPRESSAVG: 4199400 -44.692 -21.681 -30.8134 -20.1956 26.3994 -2.54483 -29.4933 -2.10865 19.7331 TIMING: 4199400 CPU: 12479, 0.00293272/step Wall: 12479, 0.00293272/step, 0.652203 hours remaining, 207.769531 MB of memory in use. ENERGY: 4199400 744.3350 2135.9421 1930.3482 111.1796 -205778.7535 17739.6343 0.0000 0.0000 34146.6011 -148970.7132 298.2108 -183117.3143 -148883.4370 299.1012 -127.9635 -94.4297 559045.7687 0.7351 0.4802 PRESSURE: 4199600 -72.7296 29.8192 -92.5589 29.8193 -28.9475 -136.385 -92.5587 -136.385 -50.4137 GPRESSURE: 4199600 -4.06912 -53.7177 -44.7804 109.929 -4.71764 -162.493 -164.129 -140.856 -54.3973 PRESSAVG: 4199600 3.17451 24.7495 32.5202 24.7495 -65.566 -35.3738 32.5202 -35.3737 42.6809 GPRESSAVG: 4199600 1.7539 24.9729 31.4499 25.5407 -65.0256 -35.6077 32.9972 -36.621 43.388 TIMING: 4199600 CPU: 12479.6, 0.00292595/step Wall: 12479.6, 0.00292595/step, 0.650537 hours remaining, 207.769531 MB of memory in use. ENERGY: 4199600 739.7255 2109.9179 1928.7710 115.3499 -205824.8202 17646.6799 0.0000 0.0000 34381.5958 -148902.7803 300.2630 -183284.3761 -148812.7150 299.7159 -50.6969 -21.0614 558693.3191 -6.5702 -6.6279 PRESSURE: 4199800 -212.1 -117.237 -86.765 -117.237 2.68104 -104.77 -86.765 -104.771 181.257 GPRESSURE: 4199800 -119.736 -55.251 -181.296 -72.1542 -0.662592 -177.071 -35.7695 -50.9837 179.06 PRESSAVG: 4199800 -39.3219 -19.9775 26.5216 -19.9775 28.4394 -8.37588 26.5217 -8.37603 51.1978 GPRESSAVG: 4199800 -37.7176 -19.8684 25.6861 -19.7936 27.2477 -8.88057 25.7948 -8.05636 50.3888 TIMING: 4199800 CPU: 12480.2, 0.00293148/step Wall: 12480.2, 0.00293148/step, 0.651602 hours remaining, 207.769531 MB of memory in use. ENERGY: 4199800 743.8700 2137.6602 1931.5735 106.0860 -206117.0900 17720.2314 0.0000 0.0000 34631.6688 -148846.0002 302.4470 -183477.6690 -148743.3452 300.4665 -9.3873 19.5539 557455.9169 13.4384 13.3063 PRESSURE: 4200000 -131.033 98.1695 18.8013 98.1696 233.228 -23.4241 18.8016 -23.4231 -223.567 GPRESSURE: 4200000 -126.738 94.5987 -3.03342 87.0054 282.209 -15.575 77.699 17.863 -191.703 PRESSAVG: 4200000 -4.22611 -24.3493 38.9613 -24.3493 20.9585 34.6653 38.9612 34.6654 -25.1682 GPRESSAVG: 4200000 -6.37156 -25.505 41.2231 -25.169 22.3059 34.4819 40.7195 34.9105 -24.0096 TIMING: 4200000 CPU: 12480.8, 0.00293228/step Wall: 12480.8, 0.00293228/step, 0.651617 hours remaining, 207.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4200000 773.7556 2118.9155 1949.4856 107.7416 -205740.2404 17750.2949 0.0000 0.0000 34431.1942 -148608.8530 300.6962 -183040.0473 -148505.0226 300.8262 -40.4570 -12.0776 558527.8635 -2.8119 -2.6918 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4200000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 4200000 WRITING COORDINATES TO RESTART FILE AT STEP 4200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4200200 29.156 147.097 69.2434 147.097 -153.076 -121.408 69.2415 -121.409 -179.371 GPRESSURE: 4200200 45.3645 186.626 122.647 164.099 -97.272 -85.8263 52.8502 0.0798328 -157.919 PRESSAVG: 4200200 -93.7427 32.0589 -14.8328 32.0589 41.802 -41.495 -14.8328 -41.495 25.5562 GPRESSAVG: 4200200 -92.2044 34.2767 -16.4158 33.3046 41.0435 -40.4592 -15.3535 -40.954 24.9864 TIMING: 4200200 CPU: 12481.4, 0.00325343/step Wall: 12481.4, 0.00325343/step, 0.722804 hours remaining, 207.769531 MB of memory in use. ENERGY: 4200200 715.7703 2130.4149 1927.7379 105.9159 -205183.0347 17390.2943 0.0000 0.0000 34311.7112 -148601.1901 299.6527 -182912.9013 -148507.0052 300.7489 -101.0972 -69.9422 559124.3680 -8.7949 -8.7248 LDB: ============= START OF LOAD BALANCING ============== 12485 LDB: ============== END OF LOAD BALANCING =============== 12485 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12485 LDB: ============= START OF LOAD BALANCING ============== 12485.3 LDB: Largest compute 4809 load 0.024711 is 20.9% of average load 0.118276 LDB: Average compute 0.001738 is 1.5% of average load 0.118276 LDB: TIME 12485.3 LOAD: AVG 0.118276 MAX 0.198098 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.254 MB LDB: TIME 12485.3 LOAD: AVG 0.118276 MAX 0.198098 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: TIME 12485.3 LOAD: AVG 0.118276 MAX 0.198098 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12485.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12485.3 PRESSURE: 4200400 2.19568 -26.4476 60.2464 -26.4476 -116.895 -30.426 60.247 -30.4252 41.7193 GPRESSURE: 4200400 62.3015 -40.3188 74.5902 -45.1921 -109.138 -64.6466 27.9616 21.9723 76.7209 PRESSAVG: 4200400 -1.34434 30.2438 31.0851 30.2438 46.157 4.06473 31.0851 4.06475 -22.2999 GPRESSAVG: 4200400 -2.0353 29.1481 33.4484 31.4567 46.2098 2.21732 31.5205 4.71587 -21.4877 TIMING: 4200400 CPU: 12482, 0.00299165/step Wall: 12482, 0.00299165/step, 0.664478 hours remaining, 206.804688 MB of memory in use. ENERGY: 4200400 750.1985 2111.9023 1930.2447 113.6497 -205923.9830 17797.9209 0.0000 0.0000 34366.3768 -148853.6901 300.1301 -183220.0669 -148749.6405 300.0168 -24.3267 9.9613 558914.9006 7.5042 7.5623 PRESSURE: 4200600 -91.1052 20.435 38.5002 20.4348 -50.6554 56.7683 38.4992 56.7694 -62.1346 GPRESSURE: 4200600 -24.779 -41.6259 -30.1483 21.0351 -2.79502 33.5929 11.5778 105.477 -90.5443 PRESSAVG: 4200600 -23.4702 -43.1706 -4.90221 -43.1706 32.2913 25.5501 -4.90223 25.5503 14.3291 GPRESSAVG: 4200600 -23.7475 -43.4572 -6.62434 -44.7134 33.284 27.0219 -5.60474 23.8726 13.1837 TIMING: 4200600 CPU: 12482.6, 0.00292207/step Wall: 12482.6, 0.00292207/step, 0.648861 hours remaining, 206.804688 MB of memory in use. ENERGY: 4200600 735.1246 2128.9904 1939.7992 107.1307 -205956.2895 17730.0030 0.0000 0.0000 34175.3231 -149139.9184 298.4616 -183315.2415 -149040.4412 300.0715 -67.9651 -39.3728 558131.4830 7.7167 7.5734 PRESSURE: 4200800 -137.152 -123.684 -94.3592 -123.686 -166.395 53.2043 -94.3592 53.2029 90.3329 GPRESSURE: 4200800 -171.932 -100.792 -51.4154 -185.65 -31.5503 121.356 -149.379 114.347 83.2668 PRESSAVG: 4200800 -14.829 -36.0623 10.3585 -36.0624 -0.549675 15.0309 10.3585 15.0311 17.6588 GPRESSAVG: 4200800 -15.1304 -35.5208 10.9808 -37.2996 -1.61877 14.7254 12.3461 14.516 19.2652 TIMING: 4200800 CPU: 12483.2, 0.0029455/step Wall: 12483.2, 0.0029455/step, 0.6539 hours remaining, 206.804688 MB of memory in use. ENERGY: 4200800 742.4605 2174.4065 1943.7782 127.3457 -206321.9720 17732.4530 0.0000 0.0000 34365.9817 -149235.5465 300.1267 -183601.5282 -149140.6878 299.3242 -71.0714 -40.0719 556868.7806 0.7600 0.8387 PRESSURE: 4201000 -25.6201 0.875998 49.3997 0.873798 35.3074 -24.0365 49.4005 -24.0375 -143.081 GPRESSURE: 4201000 -15.4334 9.06922 32.4774 21.7179 21.783 -9.24184 92.0699 -9.25844 -56.4944 PRESSAVG: 4201000 23.0962 24.6961 -12.165 24.6961 -59.3089 21.5547 -12.1649 21.5546 26.1474 GPRESSAVG: 4201000 23.3055 25.2935 -12.3007 25.7139 -58.4897 21.0584 -13.9454 23.7054 25.077 TIMING: 4201000 CPU: 12483.8, 0.00293506/step Wall: 12483.8, 0.00293506/step, 0.651421 hours remaining, 206.804688 MB of memory in use. ENERGY: 4201000 729.6429 2109.8892 1933.8071 120.9191 -206116.0536 17733.3283 0.0000 0.0000 34392.8039 -149095.6632 300.3609 -183488.4670 -149006.9674 299.8306 -44.4647 -16.7150 558579.5289 -3.3551 -3.3691 PRESSURE: 4201200 45.6286 -35.3585 -104.04 -35.358 -115.121 33.6617 -104.041 33.6623 -29.4808 GPRESSURE: 4201200 70.1988 70.604 -183.528 -31.7287 -95.0871 16.6259 -84.4594 29.385 29.5768 PRESSAVG: 4201200 36.2221 -25.0118 -4.00813 -25.0118 -46.0365 47.5335 -4.00813 47.5334 -2.13718 GPRESSAVG: 4201200 36.6674 -25.1933 -3.98744 -25.8147 -46.9918 49.4697 -5.35472 45.6749 -1.56632 TIMING: 4201200 CPU: 12484.4, 0.00293043/step Wall: 12484.4, 0.00293043/step, 0.65023 hours remaining, 206.804688 MB of memory in use. ENERGY: 4201200 759.2100 2019.5990 1936.6636 101.5125 -206486.7541 17961.1873 0.0000 0.0000 34348.4596 -149360.1221 299.9736 -183708.5817 -149259.1865 299.4119 -32.9911 1.5628 557036.3585 -3.9839 -3.9636 PRESSURE: 4201400 -200.647 -46.2303 6.97869 -46.2304 -233.011 75.8306 6.97779 75.8319 131.566 GPRESSURE: 4201400 -150.666 -49.8381 -2.80762 -143.711 -199.722 73.1628 -61.0457 130.594 144.224 PRESSAVG: 4201400 -65.1406 -5.95849 17.1872 -5.95855 39.7148 60.9893 17.1871 60.9893 -3.83337 GPRESSAVG: 4201400 -65.0071 -5.83398 16.5718 -4.97809 41.2453 59.8406 19.8374 61.9934 -5.26687 TIMING: 4201400 CPU: 12485, 0.002918/step Wall: 12485, 0.002918/step, 0.647309 hours remaining, 206.804688 MB of memory in use. ENERGY: 4201400 758.9731 2075.2254 1931.3234 105.5954 -206001.5124 17488.2311 0.0000 0.0000 34459.7646 -149182.3995 300.9457 -183642.1641 -149078.8070 299.5478 -100.6973 -68.7211 556046.5870 -9.7531 -9.6762 PRESSURE: 4201600 -82.1665 111.747 103.296 111.747 -4.34056 133.391 103.297 133.392 -9.19 GPRESSURE: 4201600 7.55344 107.047 19.4726 138.52 14.03 71.4178 115.691 156.627 -19.5327 PRESSAVG: 4201600 -36.999 4.45017 -37.5807 4.45023 -30.7312 32.4244 -37.5809 32.4244 82.9943 GPRESSAVG: 4201600 -36.9907 4.8113 -38.1905 4.92073 -31.3078 32.2237 -39.706 30.2364 83.471 TIMING: 4201600 CPU: 12485.5, 0.00293381/step Wall: 12485.5, 0.00293381/step, 0.650654 hours remaining, 206.804688 MB of memory in use. ENERGY: 4201600 755.6118 2065.2971 1934.1019 107.0856 -206088.0393 17614.0002 0.0000 0.0000 34275.5804 -149336.3623 299.3372 -183611.9427 -149235.5977 299.5621 -31.8990 0.6836 555161.8134 5.0880 5.0575 PRESSURE: 4201800 180.956 -9.88253 26.7018 -9.88227 151.067 15.4058 26.7029 15.4042 351.667 GPRESSURE: 4201800 231.842 1.44119 -52.0994 -49.6052 131.81 27.0301 62.9587 34.0354 418.581 PRESSAVG: 4201800 -29.5438 40.0565 -20.1496 40.0565 -48.2318 20.1642 -20.1495 20.1642 85.6737 GPRESSAVG: 4201800 -28.8712 39.2088 -20.2368 38.9519 -49.6733 21.2646 -19.8317 21.3609 86.1346 TIMING: 4201800 CPU: 12486.1, 0.00295061/step Wall: 12486.1, 0.00295061/step, 0.654216 hours remaining, 206.804688 MB of memory in use. ENERGY: 4201800 735.2738 2050.9951 1955.1288 110.7691 -206582.2889 18114.4015 0.0000 0.0000 34207.7781 -149407.9425 298.7450 -183615.7206 -149319.2930 299.1476 227.8963 260.7443 557129.5888 2.6327 2.5300 PRESSURE: 4202000 73.815 -86.6846 -132.794 -86.6845 -41.7339 50.5761 -132.795 50.5767 179.767 GPRESSURE: 4202000 54.8147 -35.335 -133.882 -114.361 62.0043 34.3073 -120.612 187.916 186.953 PRESSAVG: 4202000 -0.67252 -58.168 3.62735 -58.1681 -81.3585 16.0607 3.6274 16.0606 80.7689 GPRESSAVG: 4202000 -1.53456 -59.7752 4.91681 -56.8384 -80.711 14.3055 3.58289 16.2594 80.8575 TIMING: 4202000 CPU: 12486.7, 0.00295955/step Wall: 12486.7, 0.00295955/step, 0.656034 hours remaining, 206.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4202000 728.0821 2088.8935 1950.9301 115.7663 -206437.0435 17895.5654 0.0000 0.0000 34315.4582 -149342.3479 299.6854 -183657.8061 -149251.5533 298.5599 70.6159 101.2574 557255.2036 -0.4207 -0.4627 PRESSURE: 4202200 143.04 6.99839 -42.4244 6.99783 -108.15 -6.81274 -42.4244 -6.81298 432.605 GPRESSURE: 4202200 219.139 -70.9515 5.20114 69.1108 -127.816 -39.879 -93.7586 44.1973 468.779 PRESSAVG: 4202200 -6.24513 -56.6537 -18.1522 -56.6537 -65.1287 38.9365 -18.1522 38.9364 113.435 GPRESSAVG: 4202200 -5.85998 -55.5788 -18.545 -56.9777 -65.7369 38.8027 -19.0494 38.5708 113.596 TIMING: 4202200 CPU: 12487.3, 0.00297751/step Wall: 12487.3, 0.00297751/step, 0.65985 hours remaining, 206.804688 MB of memory in use. ENERGY: 4202200 728.0085 2067.9957 1916.9400 104.5907 -206458.3356 18012.4211 0.0000 0.0000 34294.7753 -149333.6044 299.5048 -183628.3797 -149235.4888 299.0703 155.8318 186.7004 557576.3433 14.0204 13.9999 PRESSURE: 4202400 -142.199 156.364 -113.577 156.363 -73.1676 125.205 -113.577 125.206 142.147 GPRESSURE: 4202400 -89.5432 98.3283 -99.2497 184.448 -66.6135 111.588 -218.413 83.5804 171.201 PRESSAVG: 4202400 -15.7678 21.2448 -68.6183 21.2448 -26.034 22.4312 -68.6183 22.4312 33.5222 GPRESSAVG: 4202400 -16.8557 22.8621 -69.1529 19.4501 -24.8758 22.4693 -66.2299 21.4963 33.416 TIMING: 4202400 CPU: 12487.9, 0.00297651/step Wall: 12487.9, 0.00297651/step, 0.659462 hours remaining, 206.804688 MB of memory in use. ENERGY: 4202400 717.0410 2096.2853 1938.5591 114.6135 -205979.5125 17686.8049 0.0000 0.0000 34087.9496 -149338.2593 297.6985 -183426.2089 -149243.5091 299.2264 -24.4063 5.0147 557435.7546 -2.7598 -2.7718 PRESSURE: 4202600 -10.3263 -52.2839 -95.4125 -52.2849 -361.933 220.092 -95.4115 220.092 -161.175 GPRESSURE: 4202600 -8.47363 -129.479 -94.2472 19.425 -274.73 172.124 -106.71 261.443 -153.204 PRESSAVG: 4202600 -71.1985 -20.2791 -3.93392 -20.279 -38.1086 1.67675 -3.93396 1.67662 95.6715 GPRESSAVG: 4202600 -70.2906 -20.7776 -5.09069 -18.7684 -37.9432 3.394 -4.1143 2.8982 95.2739 TIMING: 4202600 CPU: 12488.5, 0.00299421/step Wall: 12488.5, 0.00299421/step, 0.663218 hours remaining, 206.804688 MB of memory in use. ENERGY: 4202600 769.3387 2106.7970 1936.8442 105.2441 -205940.4473 17514.3632 0.0000 0.0000 34176.2148 -149331.6453 298.4694 -183507.8601 -149233.0884 298.6107 -177.8114 -145.4689 557349.5411 -4.5452 -4.3200 PRESSURE: 4202800 65.2863 81.7717 -39.3694 81.7726 35.3017 61.7008 -39.369 61.701 -67.2846 GPRESSURE: 4202800 85.8892 89.3937 -172.592 118.734 98.0096 67.1821 -1.74423 -36.6767 -65.4239 PRESSAVG: 4202800 3.26269 38.0908 -20.6612 38.0908 -37.5471 20.4479 -20.6612 20.448 -12.963 GPRESSAVG: 4202800 3.23024 37.1153 -20.1336 37.2798 -38.3518 18.7571 -20.7343 18.7364 -12.4036 TIMING: 4202800 CPU: 12489.1, 0.0029665/step Wall: 12489.1, 0.0029665/step, 0.656915 hours remaining, 206.804688 MB of memory in use. ENERGY: 4202800 774.6908 2090.5473 1909.4719 100.6910 -206276.8997 17910.5758 0.0000 0.0000 33984.2141 -149506.7086 296.7926 -183490.9228 -149414.7719 297.7092 11.1011 39.4916 555932.9501 -15.7491 -15.8417 PRESSURE: 4203000 -39.3275 -140.965 -67.3851 -140.964 173.464 182.083 -67.3844 182.084 -20.2751 GPRESSURE: 4203000 -18.5696 -119.367 -120.966 -143.799 144.699 97.4801 -11.9632 275.699 67.6724 PRESSAVG: 4203000 49.7375 -26.5227 19.5302 -26.5228 5.51696 60.411 19.5302 60.4111 -4.07464 GPRESSAVG: 4203000 50.1845 -26.5625 19.2896 -26.4435 5.63839 60.9249 20.8964 58.6715 -4.62152 TIMING: 4203000 CPU: 12489.7, 0.00295283/step Wall: 12489.7, 0.00295283/step, 0.653725 hours remaining, 206.804688 MB of memory in use. ENERGY: 4203000 729.8256 2057.2215 1939.2653 110.5368 -206323.4307 17781.4821 0.0000 0.0000 34123.1462 -149581.9533 298.0059 -183705.0995 -149481.9910 298.5878 37.9539 64.6004 555760.1898 17.0600 17.0671 PRESSURE: 4203200 227.337 -103.799 -103.351 -103.799 -55.168 -58.6663 -103.351 -58.6681 -145.29 GPRESSURE: 4203200 274.955 -56.9205 -64.7272 -93.9144 -74.2042 21.2437 -122.894 -173.499 -78.3312 PRESSAVG: 4203200 49.1467 -25.1983 -13.0424 -25.1984 -23.1641 10.2789 -13.0424 10.2789 -15.5918 GPRESSAVG: 4203200 49.5324 -24.9471 -12.6468 -24.1593 -23.7509 9.03551 -13.8696 13.5777 -14.6871 TIMING: 4203200 CPU: 12490.3, 0.00295821/step Wall: 12490.3, 0.00295821/step, 0.654751 hours remaining, 206.804688 MB of memory in use. ENERGY: 4203200 751.0625 2080.9860 1954.4072 113.9288 -206546.0743 17966.7758 0.0000 0.0000 34145.9452 -149532.9688 298.2050 -183678.9140 -149438.2381 297.6377 8.9598 40.8065 556924.0788 3.4636 3.6981 PRESSURE: 4203400 -282.479 53.5203 -88.9772 53.5209 -21.8058 41.4749 -88.9764 41.4759 -13.4492 GPRESSURE: 4203400 -205.649 98.1151 -116.228 -14.5186 49.3051 93.547 -33.7862 110.115 -64.4776 PRESSAVG: 4203400 -38.8976 -28.616 6.58379 -28.616 35.2242 22.0611 6.58377 22.0612 20.894 GPRESSAVG: 4203400 -38.8729 -28.3501 6.90807 -29.876 36.4666 24.3308 6.25039 19.9436 19.4862 TIMING: 4203400 CPU: 12490.9, 0.00295329/step Wall: 12490.9, 0.00295329/step, 0.653497 hours remaining, 206.804688 MB of memory in use. ENERGY: 4203400 711.7320 2080.9596 1946.9348 100.5989 -206104.7827 17613.7233 0.0000 0.0000 34193.1858 -149457.6483 298.6176 -183650.8341 -149358.1833 297.7665 -105.9113 -73.6072 558063.4823 5.7402 5.6933 PRESSURE: 4203600 -32.6264 98.4312 -24.2161 98.4303 -126.621 167.42 -24.2175 167.419 116.165 GPRESSURE: 4203600 -47.1561 79.0799 34.9494 30.7249 -89.4919 200.967 -115.401 118.637 175.527 PRESSAVG: 4203600 -63.0941 2.56777 -7.81137 2.56771 -16.7686 56.5672 -7.81131 56.5673 61.5472 GPRESSAVG: 4203600 -62.9672 0.426646 -7.97851 4.06633 -17.5583 55.5616 -7.98939 57.1304 62.6632 TIMING: 4203600 CPU: 12491.5, 0.00295549/step Wall: 12491.5, 0.00295549/step, 0.65382 hours remaining, 206.804688 MB of memory in use. ENERGY: 4203600 769.6010 2096.1245 1950.5342 110.2723 -206046.7305 17644.8167 0.0000 0.0000 34111.3300 -149364.0516 297.9027 -183475.3816 -149269.1596 298.6458 -14.3608 12.9595 556545.0485 -6.1052 -5.9541 PRESSURE: 4203800 -139.948 112.023 -11.7184 112.023 -49.7116 -63.2779 -11.7187 -63.278 -105.994 GPRESSURE: 4203800 -81.3158 148.949 38.102 78.9624 -31.4674 -85.4723 13.2774 -86.7051 -86.1799 PRESSAVG: 4203800 5.78968 44.8417 -30.4868 44.8417 -32.8536 39.0644 -30.4868 39.0644 -23.6365 GPRESSAVG: 4203800 5.9895 46.3583 -30.0666 44.9481 -33.8756 39.2118 -30.7505 41.4662 -23.1401 TIMING: 4203800 CPU: 12492.1, 0.00293868/step Wall: 12492.1, 0.00293868/step, 0.649938 hours remaining, 206.804688 MB of memory in use. ENERGY: 4203800 742.1470 2140.0743 1947.6141 126.1913 -206046.7042 17821.9072 0.0000 0.0000 34178.5795 -149090.1908 298.4900 -183268.7703 -148997.7780 298.4890 -98.5513 -66.3210 558104.7448 -16.9001 -17.0087 PRESSURE: 4204000 -263.01 199.712 64.9032 199.712 -179.805 -46.5887 64.9023 -46.5875 5.00787 GPRESSURE: 4204000 -261.725 152.038 -2.01051 237.565 -130.259 -82.7672 53.58 -14.1959 57.6083 PRESSAVG: 4204000 18.9729 80.2675 46.6811 80.2675 28.7639 -12.9254 46.6811 -12.9255 0.420545 GPRESSAVG: 4204000 17.4818 78.8298 45.8059 80.8066 30.8407 -11.3799 46.182 -14.6492 -0.403146 TIMING: 4204000 CPU: 12492.6, 0.00291874/step Wall: 12492.6, 0.00291874/step, 0.645365 hours remaining, 206.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4204000 728.6641 2141.1372 1953.5579 107.4166 -205803.3761 17550.7559 0.0000 0.0000 34346.2457 -148975.5987 299.9543 -183321.8444 -148880.5513 300.4357 -145.9355 -111.4585 558601.5118 16.0525 15.9731 PRESSURE: 4204200 68.0169 -79.4897 120.193 -79.4891 -74.6155 21.4302 120.194 21.428 -44.0813 GPRESSURE: 4204200 96.9126 -10.9127 129.077 -117.893 -13.9554 -8.50055 68.3818 13.0151 -38.9516 PRESSAVG: 4204200 -12.2382 19.4661 22.2242 19.466 -54.4355 -20.5976 22.2242 -20.5976 58.8366 GPRESSAVG: 4204200 -12.1997 20.3007 22.8848 17.9216 -54.7047 -20.5589 22.7142 -20.663 59.3984 TIMING: 4204200 CPU: 12493.2, 0.00293658/step Wall: 12493.2, 0.00293658/step, 0.649147 hours remaining, 206.804688 MB of memory in use. ENERGY: 4204200 737.8078 2101.5562 1935.8912 117.5863 -205913.3572 17898.3681 0.0000 0.0000 34290.2204 -148831.9271 299.4650 -183122.1475 -148741.9081 300.0713 -16.8933 14.6685 558099.6045 -2.6123 -2.5020 LDB: ============= START OF LOAD BALANCING ============== 12496.8 LDB: ============== END OF LOAD BALANCING =============== 12496.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12496.8 LDB: ============= START OF LOAD BALANCING ============== 12497.1 LDB: Largest compute 4809 load 0.024672 is 20.9% of average load 0.118203 LDB: Average compute 0.001725 is 1.5% of average load 0.118203 LDB: TIME 12497.1 LOAD: AVG 0.118203 MAX 0.196192 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.512 MB LDB: TIME 12497.1 LOAD: AVG 0.118203 MAX 0.196192 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.531 MB LDB: TIME 12497.1 LOAD: AVG 0.118203 MAX 0.196192 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.531 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12497.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12497.1 PRESSURE: 4204400 94.5832 -72.1611 -95.578 -72.1602 -39.3382 35.783 -95.578 35.784 52.5099 GPRESSURE: 4204400 93.8206 -86.2103 -62.5763 -10.4225 -6.68863 20.1736 -138.312 54.0999 105.231 PRESSAVG: 4204400 25.3454 6.48131 17.5604 6.48129 36.0554 18.7463 17.5604 18.7462 -49.7406 GPRESSAVG: 4204400 27.4223 7.06607 17.7362 6.30324 34.4374 16.6895 16.9459 20.728 -49.7843 TIMING: 4204400 CPU: 12493.8, 0.00300703/step Wall: 12493.8, 0.00300703/step, 0.664553 hours remaining, 206.542969 MB of memory in use. ENERGY: 4204400 725.3087 2107.9438 1904.8317 113.3917 -205916.7421 17658.6553 0.0000 0.0000 34349.8306 -149056.7800 299.9856 -183406.6106 -148961.3940 300.2149 35.9183 64.1210 557648.5501 3.8867 4.0251 PRESSURE: 4204600 -102.109 179.431 91.2146 179.431 -121.71 -107.176 91.2141 -107.176 -207.594 GPRESSURE: 4204600 -44.2163 214.29 -4.60577 145.204 -90.1334 -87.4146 217.563 -117.381 -198.92 PRESSAVG: 4204600 22.9151 -62.2625 0.435208 -62.2625 37.0831 34.2133 0.435259 34.2134 -47.0992 GPRESSAVG: 4204600 22.3919 -62.4779 1.93893 -63.8031 37.7296 37.1376 0.979463 33.4456 -46.5684 TIMING: 4204600 CPU: 12494.4, 0.00292261/step Wall: 12494.4, 0.00292261/step, 0.645734 hours remaining, 206.542969 MB of memory in use. ENERGY: 4204600 745.0601 2095.7474 1912.6574 117.4501 -206430.1143 17816.7374 0.0000 0.0000 34418.8920 -149323.5699 300.5887 -183742.4620 -149226.4433 299.6536 -143.8043 -111.0899 557643.8729 4.2997 4.5177 PRESSURE: 4204800 121.885 -55.7889 7.71333 -55.79 -84.6147 81.1918 7.71372 81.1916 -4.43418 GPRESSURE: 4204800 156.24 -65.7102 -117.64 -50.4407 -15.838 46.3549 43.9064 171.409 -6.74283 PRESSAVG: 4204800 20.2951 13.149 -4.12082 13.149 41.668 38.4633 -4.12086 38.4633 -19.4172 GPRESSAVG: 4204800 20.1288 11.5512 -6.20892 15.5522 42.6464 37.7712 -2.82449 37.9996 -20.6362 TIMING: 4204800 CPU: 12495, 0.00294267/step Wall: 12495, 0.00294267/step, 0.650004 hours remaining, 206.542969 MB of memory in use. ENERGY: 4204800 726.4124 2027.7122 1949.4600 116.3124 -206280.9372 17896.4586 0.0000 0.0000 34167.6115 -149396.9700 298.3942 -183564.5815 -149295.5791 299.0792 10.9455 44.5531 557930.8731 14.1820 14.0463 PRESSURE: 4205000 -33.2212 -14.5355 -64.718 -14.5366 -68.6869 -49.1322 -64.7178 -49.1313 -73.9359 GPRESSURE: 4205000 29.0125 9.63775 -77.9669 30.0758 -78.4248 18.4752 -57.3987 -79.6672 -29.9323 PRESSAVG: 4205000 18.1985 8.08086 -7.92889 8.08088 16.047 11.6786 -7.92885 11.6786 -84.8754 GPRESSAVG: 4205000 18.2055 11.0822 -6.41467 6.84193 15.7459 11.3563 -11.3657 12.3572 -84.3778 TIMING: 4205000 CPU: 12495.6, 0.00293494/step Wall: 12495.6, 0.00293493/step, 0.648131 hours remaining, 206.542969 MB of memory in use. ENERGY: 4205000 747.3525 2084.1153 1945.9390 114.0962 -205908.1578 17785.8841 0.0000 0.0000 34022.5618 -149208.2088 297.1275 -183230.7707 -149118.4689 299.0758 -58.6147 -26.4482 558734.6414 -16.8766 -16.8088 PRESSURE: 4205200 261.495 30.0135 -21.7343 30.0139 241.326 30.4691 -21.7347 30.4691 -7.59853 GPRESSURE: 4205200 257.59 7.91719 -85.4302 51.6592 272.592 181.487 35.0202 -9.26748 61.0776 PRESSAVG: 4205200 -8.10972 0.194524 -66.4256 0.194468 47.3752 75.5736 -66.4257 75.5736 -33.7239 GPRESSAVG: 4205200 -8.80462 -2.56612 -66.8192 1.35824 46.8017 74.3564 -64.9817 77.1831 -32.3243 TIMING: 4205200 CPU: 12496.2, 0.00294453/step Wall: 12496.2, 0.00294453/step, 0.650088 hours remaining, 206.542969 MB of memory in use. ENERGY: 4205200 773.8036 2122.5774 1923.2047 118.6292 -206296.4540 17942.5861 0.0000 0.0000 34196.0348 -149219.6181 298.6425 -183415.6529 -149124.4775 298.9534 165.0740 197.0862 557218.6624 1.8472 1.8909 PRESSURE: 4205400 27.6792 25.208 37.419 25.2087 -195.877 7.16039 37.4189 7.16147 -157.721 GPRESSURE: 4205400 89.7898 41.8838 15.731 -50.2574 -189.288 73.0363 126.036 -70.1016 -124.691 PRESSAVG: 4205400 48.0081 -45.7561 -25.8068 -45.7561 69.4419 5.39401 -25.8068 5.39394 -79.0646 GPRESSAVG: 4205400 48.2186 -44.2409 -26.6636 -45.8647 69.6066 7.86426 -23.0983 2.88796 -79.2306 TIMING: 4205400 CPU: 12496.8, 0.00294306/step Wall: 12496.8, 0.00294306/step, 0.649598 hours remaining, 206.542969 MB of memory in use. ENERGY: 4205400 716.3838 2092.2134 1900.7892 120.9682 -206039.2365 17533.9889 0.0000 0.0000 34190.0705 -149484.8226 298.5904 -183674.8931 -149386.1008 298.4199 -108.6396 -74.7297 557528.8193 12.7951 12.8649 PRESSURE: 4205600 25.0484 -25.2763 -170.986 -25.2754 26.8809 135.777 -170.985 135.778 58.2004 GPRESSURE: 4205600 66.7541 -42.3281 -217.909 52.2294 49.4371 202.487 -156.266 77.1601 88.2917 PRESSAVG: 4205600 19.7975 -28.9197 8.53193 -28.9197 18.179 -9.58684 8.53202 -9.58681 -78.7686 GPRESSAVG: 4205600 19.0651 -30.2362 9.98768 -28.0972 18.4675 -11.2536 4.10282 -7.8935 -78.1323 TIMING: 4205600 CPU: 12497.4, 0.00295191/step Wall: 12497.4, 0.00295191/step, 0.651389 hours remaining, 206.542969 MB of memory in use. ENERGY: 4205600 729.3572 2126.7169 1936.5195 122.2651 -206466.7180 17915.8722 0.0000 0.0000 34143.2547 -149492.7324 298.1815 -183635.9871 -149402.6571 298.1907 36.7099 68.1610 556526.3084 -13.5974 -13.5332 PRESSURE: 4205800 347.832 -15.0301 -64.8118 -15.0297 -371.051 194.093 -64.811 194.092 102.146 GPRESSURE: 4205800 343.456 42.5539 27.1129 -79.6378 -313.814 107.319 -72.5012 194.538 141.172 PRESSAVG: 4205800 72.332 -44.293 0.338146 -44.293 0.553889 33.2113 0.338129 33.2112 -38.3893 GPRESSAVG: 4205800 71.0883 -42.6989 1.59644 -46.2933 0.950863 35.0434 2.70041 32.4278 -37.514 TIMING: 4205800 CPU: 12498, 0.00295069/step Wall: 12498, 0.00295069/step, 0.650955 hours remaining, 206.542969 MB of memory in use. ENERGY: 4205800 749.5119 2083.1217 1947.8670 115.3884 -206288.2518 17780.5347 0.0000 0.0000 34049.5253 -149562.3027 297.3630 -183611.8280 -149463.5044 298.5616 26.3088 56.9379 556554.5077 11.4989 11.5084 PRESSURE: 4206000 -97.2536 6.48507 -45.6407 6.48573 -50.85 -26.5962 -45.6404 -26.5969 -0.863873 GPRESSURE: 4206000 -26.8907 -49.1119 -126.498 -23.742 -17.8072 -15.9593 46.1335 -39.829 -7.00699 PRESSAVG: 4206000 -32.058 54.5253 -56.1982 54.5253 5.70075 30.9048 -56.1981 30.9048 19.4939 GPRESSAVG: 4206000 -29.4157 52.8629 -58.806 57.2342 5.46412 29.5701 -55.4073 31.8268 17.1358 TIMING: 4206000 CPU: 12498.5, 0.00292705/step Wall: 12498.5, 0.00292705/step, 0.645576 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4206000 729.5988 2111.2755 1956.3073 115.8595 -206410.1867 17873.6881 0.0000 0.0000 33922.9936 -149700.4638 296.2579 -183623.4574 -149606.7162 297.8948 -49.6558 -17.2350 558495.1203 -2.2878 -2.2719 PRESSURE: 4206200 -133.633 -7.97874 -38.6853 -7.97817 -125.762 67.8967 -38.6871 67.896 62.304 GPRESSURE: 4206200 -37.5485 26.9872 -155.532 -19.7849 -138.672 32.4715 10.2501 79.0684 79.9638 PRESSAVG: 4206200 8.94158 29.2118 -23.309 29.2119 -64.4668 -34.5976 -23.309 -34.5977 51.1084 GPRESSAVG: 4206200 8.39842 30.1265 -24.2598 28.2719 -63.7855 -34.7341 -24.4885 -35.0735 51.7034 TIMING: 4206200 CPU: 12499.1, 0.0029347/step Wall: 12499.1, 0.0029347/step, 0.647101 hours remaining, 206.542969 MB of memory in use. ENERGY: 4206200 707.9874 2057.5578 1923.3753 108.7979 -206293.3914 17706.5945 0.0000 0.0000 34182.2088 -149606.8698 298.5217 -183789.0785 -149509.3746 298.4582 -65.6971 -32.0855 557336.8537 -1.4723 -1.2279 PRESSURE: 4206400 172.222 -173.644 -133.581 -173.644 -49.6107 -88.4719 -133.58 -88.4728 -146.603 GPRESSURE: 4206400 171.931 -201.17 -126.796 -107.895 51.5101 -162.128 -82.0456 -75.5397 -140.901 PRESSAVG: 4206400 -3.29229 -18.2921 -56.1813 -18.2921 -52.8305 2.42552 -56.1813 2.42555 38.2331 GPRESSAVG: 4206400 -4.09752 -18.8074 -53.7243 -20.1863 -53.2431 -0.00641 -56.1769 2.54369 38.8556 TIMING: 4206400 CPU: 12499.7, 0.00294015/step Wall: 12499.7, 0.00294015/step, 0.648139 hours remaining, 206.542969 MB of memory in use. ENERGY: 4206400 736.3609 2028.5733 1913.5031 105.7224 -206129.6467 17697.5021 0.0000 0.0000 34196.8024 -149451.1826 298.6492 -183647.9850 -149359.9908 298.2403 -7.9974 27.5132 557345.1715 -5.9632 -6.1617 PRESSURE: 4206600 88.5391 147.322 69.9057 147.322 76.002 15.2257 69.9054 15.2246 -115.578 GPRESSURE: 4206600 126.36 176.011 98.2755 165.97 21.9527 -16.9043 159.365 14.8171 -7.88434 PRESSAVG: 4206600 102.141 -9.3589 -56.2544 -9.35883 -85.5944 8.07729 -56.2544 8.07742 -19.5615 GPRESSAVG: 4206600 103.268 -8.07541 -54.5308 -8.08949 -86.6643 10.3856 -56.4916 7.89348 -19.7971 TIMING: 4206600 CPU: 12500.3, 0.00294294/step Wall: 12500.3, 0.00294294/step, 0.648591 hours remaining, 206.542969 MB of memory in use. ENERGY: 4206600 772.8729 2054.6456 1904.5750 120.9064 -206329.5729 17886.7959 0.0000 0.0000 34133.3108 -149456.4662 298.0947 -183589.7771 -149360.1093 298.3687 16.3211 46.8094 557191.4446 -1.0051 -1.0644 PRESSURE: 4206800 -131.361 -85.8383 -29.2193 -85.8382 126.991 172.03 -29.2186 172.029 -56.3101 GPRESSURE: 4206800 -32.4406 -39.3274 32.4769 -47.8282 151.836 69.8666 6.48095 207.165 -64.69 PRESSAVG: 4206800 34.2832 0.342522 39.9058 0.342615 -20.2909 21.7835 39.9059 21.7834 -53.8943 GPRESSAVG: 4206800 34.7283 -2.71762 39.6243 1.48457 -20.9421 21.3028 38.2354 22.5325 -53.787 TIMING: 4206800 CPU: 12500.9, 0.00294928/step Wall: 12500.9, 0.00294928/step, 0.649825 hours remaining, 206.542969 MB of memory in use. ENERGY: 4206800 742.7270 2031.8320 1939.0730 118.0543 -206338.6505 17831.3635 0.0000 0.0000 34429.0976 -149246.5032 300.6779 -183675.6007 -149151.3789 298.4846 -20.2268 18.2351 556125.2077 -13.3007 -13.3336 PRESSURE: 4207000 77.9145 -109.705 -92.8129 -109.706 114.305 -93.9629 -92.8138 -93.9608 -244.976 GPRESSURE: 4207000 136.754 -125.005 -135.683 -130.041 124.213 -140.822 -64.8187 -149.995 -215.796 PRESSAVG: 4207000 18.0212 -29.8613 38.8273 -29.8613 -21.0299 -18.338 38.8274 -18.338 -26.789 GPRESSAVG: 4207000 16.4544 -27.0854 35.7449 -31.7326 -18.7907 -17.4487 41.7306 -19.2176 -27.212 TIMING: 4207000 CPU: 12501.5, 0.00294328/step Wall: 12501.5, 0.00294328/step, 0.648339 hours remaining, 206.542969 MB of memory in use. ENERGY: 4207000 734.7241 2075.3317 1919.4272 109.2252 -205982.9495 17656.0589 0.0000 0.0000 34217.4089 -149270.7735 298.8291 -183488.1824 -149166.7766 298.7810 -17.5858 15.0571 557763.2434 -9.9326 -9.8494 PRESSURE: 4207200 -208.256 -49.9528 -69.2318 -49.9537 -106.213 0.180751 -69.2328 0.180055 -130.517 GPRESSURE: 4207200 -244.192 -57.7907 -150.325 -11.4863 -54.1026 -47.2891 -19.9421 -70.3524 -42.6883 PRESSAVG: 4207200 -78.2503 -32.4567 40.4342 -32.4567 -0.401818 48.1374 40.4341 48.1375 36.6116 GPRESSAVG: 4207200 -77.4364 -34.1782 42.4567 -30.8129 -1.7656 45.6865 39.3139 49.2948 37.8753 TIMING: 4207200 CPU: 12502.1, 0.00296577/step Wall: 12502.1, 0.00296576/step, 0.653127 hours remaining, 206.542969 MB of memory in use. ENERGY: 4207200 722.8393 2112.3898 1928.2865 98.6018 -206142.0722 17607.4856 0.0000 0.0000 34217.7925 -149454.6767 298.8325 -183672.4691 -149357.4335 298.7574 -148.3287 -113.6610 558503.6602 -14.0135 -13.7756 PRESSURE: 4207400 -18.2973 17.8086 -84.1838 17.8089 -85.301 63.2281 -84.1833 63.2258 -23.2386 GPRESSURE: 4207400 16.0488 17.3592 -53.1443 75.7371 -71.3273 -26.415 -126.668 49.438 32.1971 PRESSAVG: 4207400 -16.1622 -56.2696 11.0684 -56.2696 20.8857 -14.901 11.0684 -14.9011 21.5593 GPRESSAVG: 4207400 -16.4405 -55.9012 11.6642 -57.3234 21.9407 -12.9902 10.9423 -17.1616 21.1112 TIMING: 4207400 CPU: 12502.7, 0.00296201/step Wall: 12502.7, 0.00296201/step, 0.652135 hours remaining, 206.542969 MB of memory in use. ENERGY: 4207400 720.0771 2097.2321 1955.5571 109.7431 -206455.6328 17987.1537 0.0000 0.0000 34257.5294 -149328.3403 299.1795 -183585.8697 -149234.2432 298.8177 -42.2790 -7.6938 559283.8247 8.7609 8.8705 PRESSURE: 4207600 61.4134 -50.0978 24.1001 -50.0978 -101.132 -153.777 24.1006 -153.778 -229.357 GPRESSURE: 4207600 89.5684 -11.941 44.2371 -31.1073 -41.474 -120.8 14.3872 -112.98 -225.371 PRESSAVG: 4207600 29.8869 -35.598 -26.4805 -35.5981 -22.656 -2.41175 -26.4805 -2.41176 13.0744 GPRESSAVG: 4207600 29.2317 -35.5873 -29.1336 -33.5954 -22.4185 -3.23364 -25.1655 0.159066 12.9739 TIMING: 4207600 CPU: 12503.3, 0.00293734/step Wall: 12503.3, 0.00293734/step, 0.646541 hours remaining, 206.542969 MB of memory in use. ENERGY: 4207600 738.7751 2060.2823 1948.0218 114.2771 -206158.7137 17819.9729 0.0000 0.0000 34174.9870 -149302.3976 298.4587 -183477.3846 -149211.8432 298.9573 -89.6921 -59.0921 558828.3783 6.7684 6.5957 PRESSURE: 4207800 18.9269 64.965 79.5152 64.9652 -129.075 -25.2512 79.5161 -25.2527 27.3947 GPRESSURE: 4207800 38.4037 57.0188 -10.6165 83.8385 -118.938 -125.975 79.2441 -61.818 77.076 PRESSAVG: 4207800 36.8918 33.8966 47.0006 33.8965 -17.9437 12.8639 47.0007 12.8639 61.4404 GPRESSAVG: 4207800 38.7565 34.0806 48.3556 32.796 -18.7818 13.8182 47.0826 12.7905 60.7209 TIMING: 4207800 CPU: 12503.8, 0.00294762/step Wall: 12503.8, 0.00294762/step, 0.64864 hours remaining, 206.542969 MB of memory in use. ENERGY: 4207800 741.4013 2110.0969 1928.9119 111.9954 -206130.4603 17647.2057 0.0000 0.0000 34278.2431 -149312.6060 299.3604 -183590.8491 -149218.4651 299.2129 -27.5844 -1.1528 556703.4805 26.7962 26.8985 PRESSURE: 4208000 71.6009 80.2413 56.2804 80.2406 -202.144 -132.928 56.2804 -132.929 -271.405 GPRESSURE: 4208000 66.8515 144.373 77.7491 49.1936 -188.001 -98.5992 75.4003 -126.622 -181.795 PRESSAVG: 4208000 54.5271 15.3612 4.82536 15.3612 -39.1004 -32.485 4.82539 -32.485 39.991 GPRESSAVG: 4208000 52.9776 15.0345 3.81648 16.1764 -38.3762 -32.866 5.36685 -32.7965 40.7902 TIMING: 4208000 CPU: 12504.4, 0.00293688/step Wall: 12504.4, 0.00293688/step, 0.646114 hours remaining, 206.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4208000 787.8618 2118.4449 1936.7760 103.1405 -205625.2511 17478.2248 0.0000 0.0000 33978.6993 -149222.1039 296.7444 -183200.8032 -149132.6282 298.9134 -133.9827 -100.9816 557527.9928 18.4726 18.4639 PRESSURE: 4208200 74.555 148.274 -30.2765 148.273 156.209 105.589 -30.277 105.589 -188.978 GPRESSURE: 4208200 97.1932 77.7993 53.1306 174.543 188.535 169.758 -99.3531 -4.93802 -147.845 PRESSAVG: 4208200 11.0747 -3.58188 52.8738 -3.58188 -31.4839 38.6297 52.8738 38.6298 3.93734 GPRESSAVG: 4208200 11.8188 -5.09734 55.2458 -2.56945 -32.8107 39.5949 50.1895 37.0572 3.63169 TIMING: 4208200 CPU: 12505, 0.0029571/step Wall: 12505, 0.0029571/step, 0.650397 hours remaining, 206.542969 MB of memory in use. ENERGY: 4208200 717.3072 2117.4544 1932.8942 109.9041 -206039.4470 17607.6469 0.0000 0.0000 34339.9410 -149214.2991 299.8992 -183554.2401 -149121.5401 298.8244 13.9288 45.9610 557567.8855 -5.4906 -5.7868 LDB: ============= START OF LOAD BALANCING ============== 12508.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12508.6 LDB: =============== DONE WITH MIGRATION ================ 12508.6 LDB: ============= START OF LOAD BALANCING ============== 12508.9 LDB: Largest compute 4809 load 0.023987 is 20.3% of average load 0.118252 LDB: Average compute 0.001726 is 1.5% of average load 0.118252 LDB: TIME 12508.9 LOAD: AVG 0.118252 MAX 0.199589 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.336 MB LDB: TIME 12508.9 LOAD: AVG 0.118252 MAX 0.199589 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.406 MB LDB: TIME 12508.9 LOAD: AVG 0.118252 MAX 0.199589 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.406 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12508.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12508.9 PRESSURE: 4208400 28.2335 205.869 15.8059 205.87 -23.8929 -25.8889 15.8055 -25.8891 -94.6218 GPRESSURE: 4208400 64.0397 203.666 51.034 224.033 10.8614 -84.5884 -23.1189 57.197 -76.5242 PRESSAVG: 4208400 63.6653 -19.1403 -43.7716 -19.1403 -40.1767 69.9381 -43.7716 69.938 31.5206 GPRESSAVG: 4208400 63.1544 -15.0543 -43.9386 -22.9957 -38.7492 67.5239 -43.4389 70.4547 30.7408 TIMING: 4208400 CPU: 12505.6, 0.00302465/step Wall: 12505.6, 0.00302465/step, 0.665087 hours remaining, 207.371094 MB of memory in use. ENERGY: 4208400 773.2331 2060.5977 1949.6563 122.7727 -206184.7387 17902.1889 0.0000 0.0000 34220.7088 -149155.5813 298.8580 -183376.2900 -149057.3334 299.7115 -30.0937 -0.5410 557983.8523 18.3364 18.3820 PRESSURE: 4208600 69.4407 -155.238 62.8775 -155.239 -90.681 153.472 62.8792 153.472 170.714 GPRESSURE: 4208600 111.093 -85.4957 15.7953 -198.397 -13.0958 102.161 96.5735 106.875 154.853 PRESSAVG: 4208600 16.5658 21.5687 -29.2795 21.5687 33.4756 -31.6383 -29.2794 -31.6382 -57.1006 GPRESSAVG: 4208600 17.2686 20.0675 -30.5858 24.0592 32.7362 -27.8713 -28.4326 -33.5375 -56.8478 TIMING: 4208600 CPU: 12506.2, 0.00294691/step Wall: 12506.2, 0.00294691/step, 0.64783 hours remaining, 207.570312 MB of memory in use. ENERGY: 4208600 753.3451 2134.4293 1955.7226 111.7171 -206408.4709 17913.5598 0.0000 0.0000 34556.0767 -148983.6204 301.7868 -183539.6970 -148889.2945 300.0834 49.8244 84.2833 557510.5898 -2.3531 -2.2810 PRESSURE: 4208800 63.2125 9.02702 -44.7299 9.02671 55.9764 21.0495 -44.7314 21.0506 143.256 GPRESSURE: 4208800 106.831 -11.57 57.8018 -47.8571 55.435 -25.1956 -117.107 26.1806 188.973 PRESSAVG: 4208800 -47.059 2.90779 -9.2851 2.90764 19.3365 30.6261 -9.2851 30.626 45.1243 GPRESSAVG: 4208800 -47.7325 1.74351 -10.0129 2.86333 19.3054 28.0306 -8.56605 30.6144 45.1892 TIMING: 4208800 CPU: 12506.8, 0.00293755/step Wall: 12506.8, 0.00293755/step, 0.645609 hours remaining, 207.570312 MB of memory in use. ENERGY: 4208800 742.2225 2121.9850 1934.7805 108.7837 -206206.9240 17893.0860 0.0000 0.0000 34417.3548 -148988.7115 300.5753 -183406.0663 -148889.9772 300.7105 87.4816 117.0796 557030.4033 5.8006 5.5874 PRESSURE: 4209000 -18.5328 -92.1273 39.0097 -92.1283 9.65566 90.111 39.0105 90.1113 23.9821 GPRESSURE: 4209000 37.3519 -98.1782 67.4024 -15.2855 73.4068 -35.0114 33.2297 83.5437 13.7726 PRESSAVG: 4209000 10.5271 -25.1402 30.7609 -25.1402 13.4275 40.9747 30.761 40.9747 17.6078 GPRESSAVG: 4209000 10.7061 -25.2127 31.0616 -27.8842 13.897 37.4942 28.5985 41.745 16.8203 TIMING: 4209000 CPU: 12507.4, 0.00294246/step Wall: 12507.4, 0.00294246/step, 0.646523 hours remaining, 207.570312 MB of memory in use. ENERGY: 4209000 762.2397 2134.1502 1943.1871 111.1334 -206138.3868 17805.6979 0.0000 0.0000 34450.9290 -148931.0494 300.8685 -183381.9784 -148839.7527 300.5572 5.0350 41.5104 557327.3557 13.8541 13.8078 PRESSURE: 4209200 -42.2216 7.55639 -8.60779 7.55423 -4.63483 -88.598 -8.60803 -88.599 -176.624 GPRESSURE: 4209200 -60.9669 7.85441 14.5561 97.076 56.3409 -99.8247 -25.156 -88.9927 -117.908 PRESSAVG: 4209200 -11.5827 -21.1933 63.7056 -21.1933 69.0465 49.0077 63.7056 49.0076 -37.1783 GPRESSAVG: 4209200 -12.9839 -21.0192 62.0992 -19.4701 70.0431 52.0602 65.9773 48.925 -36.3768 TIMING: 4209200 CPU: 12508, 0.00296179/step Wall: 12508, 0.00296179/step, 0.650606 hours remaining, 207.570312 MB of memory in use. ENERGY: 4209200 767.5454 2137.9894 1929.2106 105.5168 -205792.6062 17676.9830 0.0000 0.0000 34133.3668 -149041.9943 298.0952 -183175.3610 -148949.5693 300.3258 -74.4936 -40.8447 557457.6328 6.7619 6.8941 PRESSURE: 4209400 -16.8836 33.9016 -21.453 33.9027 -26.8825 -49.9962 -21.4518 -49.9958 -166.425 GPRESSURE: 4209400 -21.8311 102.481 -46.1791 6.84019 23.0734 41.0426 -59.4732 -30.0104 -116.753 PRESSAVG: 4209400 54.5347 19.4757 -2.0001 19.4757 17.5552 25.9535 -2.00008 25.9534 -16.6521 GPRESSAVG: 4209400 55.9274 19.184 -1.2273 18.8998 16.9801 25.7512 -3.39588 25.063 -17.2542 TIMING: 4209400 CPU: 12508.6, 0.00293888/step Wall: 12508.6, 0.00293888/step, 0.64541 hours remaining, 207.570312 MB of memory in use. ENERGY: 4209400 752.6603 2095.9014 1925.1840 101.3516 -205829.2459 17636.1594 0.0000 0.0000 34365.1770 -148952.8122 300.1196 -183317.9892 -148851.6824 299.9796 -70.0637 -38.5036 557634.4256 18.4793 18.5511 PRESSURE: 4209600 145.001 -148.367 47.8202 -148.367 202.138 67.9207 47.8211 67.921 133.678 GPRESSURE: 4209600 182.292 -164.619 -21.3467 -27.9761 237.794 96.4807 126.028 1.83064 163.74 PRESSAVG: 4209600 -2.37335 -0.545963 -6.47883 -0.545988 -17.9411 39.9499 -6.4789 39.9497 -32.398 GPRESSAVG: 4209600 -1.91035 -1.60279 -5.9942 2.37525 -17.9869 39.1245 -6.43065 41.6802 -32.2143 TIMING: 4209600 CPU: 12509.2, 0.00295773/step Wall: 12509.2, 0.00295773/step, 0.649386 hours remaining, 207.570312 MB of memory in use. ENERGY: 4209600 743.7701 2076.3487 1936.3907 112.1937 -206365.2909 18049.0808 0.0000 0.0000 34491.3123 -148956.1946 301.2212 -183447.5069 -148858.1109 300.1175 160.2722 194.6088 556726.2651 -17.5708 -17.3705 PRESSURE: 4209800 -34.1591 -42.5372 -52.6412 -42.5378 -127.131 -40.3295 -52.6422 -40.3293 25.6527 GPRESSURE: 4209800 -13.2621 -27.5743 -18.0292 -60.6424 -55.4676 -29.0857 -137.826 -126.47 32.213 PRESSAVG: 4209800 -42.4163 35.2842 26.2632 35.2841 25.3145 32.0228 26.2631 32.0228 9.23406 GPRESSAVG: 4209800 -42.101 36.083 26.9674 34.1983 24.5585 33.3356 24.564 30.1604 9.39388 TIMING: 4209800 CPU: 12509.8, 0.00294793/step Wall: 12509.8, 0.00294793/step, 0.647071 hours remaining, 207.570312 MB of memory in use. ENERGY: 4209800 747.2242 2094.0119 1954.8485 114.1109 -206097.6673 17691.5419 0.0000 0.0000 34532.0759 -148963.8540 301.5772 -183495.9299 -148868.9261 299.9300 -45.2124 -12.1722 558555.5060 -2.6226 -2.7162 PRESSURE: 4210000 -96.4202 -61.1164 210.874 -61.116 132.158 35.8743 210.875 35.8734 124.346 GPRESSURE: 4210000 -75.9881 31.4268 186.058 -104.9 184.167 31.3986 151.637 32.3595 152.824 PRESSAVG: 4210000 -40.9462 54.3055 5.11358 54.3054 -35.4684 -17.8332 5.1136 -17.8332 64.4756 GPRESSAVG: 4210000 -40.8544 53.6314 3.94631 54.9712 -35.581 -18.4305 5.35879 -15.9207 64.1991 TIMING: 4210000 CPU: 12510.3, 0.0029504/step Wall: 12510.3, 0.0029504/step, 0.64745 hours remaining, 207.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4210000 728.5225 2093.8056 1933.1054 122.9125 -206215.7763 17993.7581 0.0000 0.0000 34506.3143 -148837.3579 301.3522 -183343.6722 -148739.3016 300.3413 53.3611 87.0008 558044.2979 -3.9797 -4.0788 PRESSURE: 4210200 83.0335 -156.173 23.63 -156.171 23.8129 -72.0693 23.6298 -72.0701 3.26642 GPRESSURE: 4210200 109.058 -177.182 -99.0844 -168.922 54.5963 -129.63 87.1727 -25.3468 40.878 PRESSAVG: 4210200 -18.8534 -1.74372 12.1657 -1.74378 -7.58652 11.7669 12.1658 11.767 18.0039 GPRESSAVG: 4210200 -19.4701 -2.03689 11.6657 -2.39224 -7.06446 12.1414 13.2147 13.2788 18.6517 TIMING: 4210200 CPU: 12510.9, 0.00295339/step Wall: 12510.9, 0.00295339/step, 0.647941 hours remaining, 207.570312 MB of memory in use. ENERGY: 4210200 737.6398 2092.8366 1927.4206 124.1523 -206078.3154 17943.0767 0.0000 0.0000 34424.4718 -148828.7175 300.6375 -183253.1894 -148731.7335 301.1458 36.7043 68.1774 559091.4961 -2.8120 -2.6276 PRESSURE: 4210400 270.948 162.923 -2.00481 162.922 91.6036 64.3697 -2.00552 64.3685 70.4667 GPRESSURE: 4210400 285.939 143.395 10.5504 139.301 148.791 90.3053 110.813 122.303 94.0832 PRESSAVG: 4210400 33.91 -8.59916 0.399197 -8.59915 22.5098 22.4699 0.3992 22.4698 -5.7772 GPRESSAVG: 4210400 34.5354 -6.83475 0.855234 -10.2025 22.018 22.6357 -0.823934 20.7956 -6.37881 TIMING: 4210400 CPU: 12511.5, 0.00296067/step Wall: 12511.5, 0.00296067/step, 0.649374 hours remaining, 207.570312 MB of memory in use. ENERGY: 4210400 727.9587 2164.7415 1918.3746 114.9467 -206359.0086 17998.8279 0.0000 0.0000 34566.5913 -148867.5679 301.8786 -183434.1592 -148769.9163 301.0860 144.3396 176.2708 556742.1583 16.8809 16.7249 PRESSURE: 4210600 -146.729 41.2454 -46.2275 41.2444 -113.931 67.0789 -46.2272 67.0796 112.088 GPRESSURE: 4210600 -85.564 -30.2356 -64.0653 105.908 -87.223 209.361 1.00528 7.62 111.46 PRESSAVG: 4210600 15.9238 25.756 29.9527 25.7561 -54.1436 64.1625 29.9526 64.1626 20.4628 GPRESSAVG: 4210600 16.315 25.4635 30.2246 26.7571 -54.2111 63.4669 31.0733 63.0181 19.5872 TIMING: 4210600 CPU: 12512.1, 0.0029356/step Wall: 12512.1, 0.0029356/step, 0.643711 hours remaining, 207.570312 MB of memory in use. ENERGY: 4210600 730.3569 2117.3248 1906.1861 111.3684 -206005.2432 17835.9580 0.0000 0.0000 34476.2909 -148827.7581 301.0900 -183304.0490 -148723.4506 300.2217 -49.5239 -20.4424 557917.1587 -5.9190 -6.1030 PRESSURE: 4210800 -148.626 217.748 -102.341 217.748 -71.2305 -155.998 -102.34 -155.997 -188.429 GPRESSURE: 4210800 -69.8526 181.886 -65.1856 205.47 -115.407 -139.23 -120.264 -54.7986 -120.265 PRESSAVG: 4210800 8.69491 37.6587 6.97369 37.6585 -10.9569 -25.0641 6.97368 -25.0641 -15.5343 GPRESSAVG: 4210800 8.33861 36.0396 8.34525 40.7249 -10.6735 -26.8641 7.06261 -22.6583 -15.659 TIMING: 4210800 CPU: 12512.7, 0.00295501/step Wall: 12512.7, 0.00295501/step, 0.647804 hours remaining, 207.570312 MB of memory in use. ENERGY: 4210800 742.5643 2115.7475 1940.2174 116.5219 -205669.8555 17471.1113 0.0000 0.0000 34348.3233 -148935.3699 299.9725 -183283.6931 -148831.3015 299.9886 -136.0950 -101.8416 557546.0023 -5.9321 -5.9980 PRESSURE: 4211000 57.5109 -6.96427 37.3173 -6.9648 335.014 -127.537 37.3172 -127.537 97.2998 GPRESSURE: 4211000 116.943 -76.0303 -22.3777 -24.3082 348.322 -34.4046 77.2759 -130.714 124.4 PRESSAVG: 4211000 -9.19417 -66.8096 -22.4965 -66.8095 49.6516 21.3545 -22.4965 21.3545 -1.79463 GPRESSAVG: 4211000 -10.8593 -66.7795 -22.8981 -70.8413 49.23 23.3448 -24.2795 19.1402 -0.318833 TIMING: 4211000 CPU: 12513.3, 0.0029662/step Wall: 12513.3, 0.0029662/step, 0.650092 hours remaining, 207.570312 MB of memory in use. ENERGY: 4211000 688.7845 2118.2859 1951.2687 111.9130 -206123.2557 17941.2022 0.0000 0.0000 34250.1427 -149061.6588 299.1150 -183311.8014 -148969.2594 299.8765 163.2748 196.5551 555596.3693 12.8876 12.6839 PRESSURE: 4211200 -82.8074 -123.255 13.5124 -123.255 -145.723 39.3016 13.5111 39.3029 202.954 GPRESSURE: 4211200 -71.0665 -141.219 -31.8085 -177.91 -130.301 61.5828 7.34252 7.96519 275.053 PRESSAVG: 4211200 -28.3934 4.51155 10.1684 4.51158 1.8267 -36.3506 10.1686 -36.3506 50.5384 GPRESSAVG: 4211200 -27.8858 4.47118 9.5195 5.6914 2.97596 -36.9955 11.1759 -35.3792 48.515 TIMING: 4211200 CPU: 12513.9, 0.00292755/step Wall: 12513.9, 0.00292755/step, 0.64146 hours remaining, 207.570312 MB of memory in use. ENERGY: 4211200 721.2484 2106.7183 1950.8322 109.1638 -206108.0124 17750.4070 0.0000 0.0000 34292.8675 -149176.7753 299.4881 -183469.6428 -149074.2192 300.0785 -8.5256 24.5618 555700.2067 7.9905 7.8684 PRESSURE: 4211400 4.5318 -41.5218 -187.378 -41.5205 225.979 -5.4665 -187.379 -5.46554 216.685 GPRESSURE: 4211400 -6.30073 -66.4742 -179.647 -86.963 245.164 -0.0417132 -211.456 -28.6402 297.331 PRESSAVG: 4211400 -55.5597 -18.0647 -52.5064 -18.0647 -17.3987 39.5623 -52.5064 39.5623 59.4952 GPRESSAVG: 4211400 -55.0461 -16.6242 -53.637 -16.5509 -18.6336 40.1916 -51.8698 38.9227 59.9321 TIMING: 4211400 CPU: 12514.5, 0.00294684/step Wall: 12514.5, 0.00294684/step, 0.645521 hours remaining, 207.570312 MB of memory in use. ENERGY: 4211400 710.6572 2104.7042 1930.8335 100.5623 -206553.4328 18037.2579 0.0000 0.0000 34393.7165 -149275.7013 300.3689 -183669.4178 -149181.5313 299.8320 149.0651 178.7313 556043.2308 -4.4878 -4.5825 PRESSURE: 4211600 -58.5786 -128.481 -35.3194 -128.481 -21.5852 1.28873 -35.3196 1.28656 89.2781 GPRESSURE: 4211600 -12.0147 -37.3648 -30.9943 -96.7423 -17.6256 -50.812 -133.618 0.503409 144.731 PRESSAVG: 4211600 -85.5069 -7.16465 -34.9292 -7.1647 8.09476 30.1283 -34.9292 30.1285 75.8678 GPRESSAVG: 4211600 -86.1281 -7.9866 -34.2655 -7.31181 8.27041 30.4089 -36.7577 29.9503 75.8875 TIMING: 4211600 CPU: 12515.1, 0.00294598/step Wall: 12515.1, 0.00294598/step, 0.645169 hours remaining, 207.570312 MB of memory in use. ENERGY: 4211600 744.1305 2064.5843 1910.6460 116.5830 -206100.9203 17680.4996 0.0000 0.0000 34383.6636 -149200.8134 300.2811 -183584.4770 -149096.6863 299.0830 3.0381 38.3637 555732.4659 -0.5148 -0.6567 PRESSURE: 4211800 75.3027 38.5713 61.8126 38.571 -291.717 -227.612 61.8131 -227.612 121.395 GPRESSURE: 4211800 86.5796 78.11 10.7709 35.3161 -228.967 -182.887 104.94 -183.136 143.97 PRESSAVG: 4211800 17.4679 2.98204 -20.6563 2.98205 -5.13489 -27.0085 -20.6564 -27.0086 13.4746 GPRESSAVG: 4211800 17.4294 3.77764 -20.2602 2.16409 -5.40209 -26.9199 -20.1483 -26.2346 13.3947 TIMING: 4211800 CPU: 12515.7, 0.00293934/step Wall: 12515.7, 0.00293934/step, 0.643553 hours remaining, 207.570312 MB of memory in use. ENERGY: 4211800 802.0412 2052.6369 1939.5235 108.2854 -206405.1052 17962.0426 0.0000 0.0000 34338.2883 -149202.2872 299.8848 -183540.5755 -149100.7910 299.2630 -31.6732 0.5274 556944.6122 8.6025 8.4740 PRESSURE: 4212000 -87.7289 174.837 -10.2105 174.837 -25.8657 -68.1375 -10.2098 -68.1377 24.3215 GPRESSURE: 4212000 -59.7537 266.935 -3.90218 168.309 31.4434 2.99454 48.9492 -119.605 31.993 PRESSAVG: 4212000 14.288 63.3076 -7.00541 63.3077 -11.0433 -21.5085 -7.00536 -21.5085 7.54528 GPRESSAVG: 4212000 14.1528 61.7996 -8.66584 65.6293 -10.855 -21.374 -3.90808 -22.9046 7.13062 TIMING: 4212000 CPU: 12516.2, 0.00293988/step Wall: 12516.2, 0.00293988/step, 0.643507 hours remaining, 207.570312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4212000 747.9735 2048.4351 1927.6395 118.1651 -205897.3480 17563.2071 0.0000 0.0000 34335.9026 -149156.0251 299.8640 -183491.9278 -149060.2242 299.6393 -29.7577 1.2276 556626.7116 3.5966 3.4761 PRESSURE: 4212200 -58.3434 59.0864 102.262 59.087 -142.324 -158.669 102.259 -158.667 19.3627 GPRESSURE: 4212200 -29.2921 62.1139 73.434 10.1282 -81.6145 -68.9789 253.496 -128.328 21.058 PRESSAVG: 4212200 -72.7593 27.256 -0.502509 27.2561 66.1532 -11.3037 -0.502598 -11.3038 19.6191 GPRESSAVG: 4212200 -73.1909 27.3345 2.00739 27.1238 65.9902 -10.5036 -3.86249 -12.1394 20.1261 TIMING: 4212200 CPU: 12516.8, 0.00294918/step Wall: 12516.8, 0.00294918/step, 0.645379 hours remaining, 207.570312 MB of memory in use. ENERGY: 4212200 776.3051 2058.2636 1917.8920 108.7743 -206114.1305 17618.7753 0.0000 0.0000 34468.5297 -149165.5905 301.0222 -183634.1202 -149071.5563 299.6492 -60.4347 -29.9496 556188.4957 4.3377 4.3085 LDB: ============= START OF LOAD BALANCING ============== 12520.4 LDB: ============== END OF LOAD BALANCING =============== 12520.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12520.4 LDB: ============= START OF LOAD BALANCING ============== 12520.7 LDB: Largest compute 4809 load 0.025210 is 21.3% of average load 0.118178 LDB: Average compute 0.001731 is 1.5% of average load 0.118178 LDB: TIME 12520.7 LOAD: AVG 0.118178 MAX 0.195785 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.055 MB LDB: TIME 12520.7 LOAD: AVG 0.118178 MAX 0.195785 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.055 MB LDB: TIME 12520.7 LOAD: AVG 0.118178 MAX 0.195785 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12520.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12520.7 PRESSURE: 4212400 205.09 -20.1268 -35.0074 -20.1255 -27.9316 -118.01 -35.0075 -118.009 43.1008 GPRESSURE: 4212400 242.209 -9.9162 -41.511 -16.5556 -5.98577 -133.886 -40.2851 -78.4483 76.295 PRESSAVG: 4212400 -24.8804 -17.321 -6.05848 -17.3209 35.7097 -14.2002 -6.05851 -14.2001 -20.9477 GPRESSAVG: 4212400 -25.4325 -15.7393 -6.03948 -20.0701 36.2145 -15.7422 -4.61158 -12.3871 -21.0318 TIMING: 4212400 CPU: 12517.4, 0.0029793/step Wall: 12517.4, 0.0029793/step, 0.651804 hours remaining, 207.511719 MB of memory in use. ENERGY: 4212400 764.0296 2090.0379 1925.5862 116.9405 -206127.4852 17795.6134 0.0000 0.0000 34132.2562 -149303.0215 298.0855 -183435.2777 -149220.6965 299.9742 73.4197 104.1728 557733.1300 -3.3728 -3.4166 PRESSURE: 4212600 -104.011 -26.1941 14.5867 -26.1939 -81.8931 63.4072 14.5867 63.4076 -67.9763 GPRESSURE: 4212600 -53.4682 -67.1378 -13.027 -30.754 -65.4127 -29.9725 48.114 120.222 -38.2976 PRESSAVG: 4212600 -5.0025 -37.9975 7.14941 -37.9975 41.2203 -51.3167 7.14937 -51.3168 -20.5087 GPRESSAVG: 4212600 -4.3671 -39.2343 7.31928 -35.2087 41.1157 -50.3829 8.58617 -50.5117 -20.8572 TIMING: 4212600 CPU: 12518, 0.00292295/step Wall: 12518, 0.00292295/step, 0.639314 hours remaining, 207.550781 MB of memory in use. ENERGY: 4212600 736.4057 2047.2425 1936.1025 115.8301 -205767.8566 17546.4796 0.0000 0.0000 34106.0524 -149279.7437 297.8566 -183385.7961 -149178.3023 299.0087 -84.6269 -52.3928 557565.2602 5.2364 5.2971 PRESSURE: 4212800 -198.183 -5.35491 -205.402 -5.35535 42.6051 -14.2518 -205.402 -14.2502 -183.004 GPRESSURE: 4212800 -165.152 21.1062 -118.37 8.28426 68.5188 -2.61299 -194.434 -93.8439 -130.346 PRESSAVG: 4212800 -6.34275 12.2328 -35.5283 12.2327 -4.81201 -38.53 -35.5283 -38.5298 -2.42439 GPRESSAVG: 4212800 -6.76771 12.7021 -37.2771 11.0873 -5.13355 -37.0585 -34.0043 -41.7888 -2.08137 TIMING: 4212800 CPU: 12518.6, 0.0029542/step Wall: 12518.6, 0.0029542/step, 0.645985 hours remaining, 207.750000 MB of memory in use. ENERGY: 4212800 721.5287 2073.4828 1938.6862 111.3989 -206076.8654 17656.8044 0.0000 0.0000 34334.6654 -149240.2989 299.8532 -183574.9643 -149147.3923 299.0848 -112.8604 -75.6596 555436.3008 -4.5264 -4.6609 PRESSURE: 4213000 -294.321 -2.78115 -140.075 -2.78026 -153.857 27.6247 -140.074 27.6248 -439.078 GPRESSURE: 4213000 -227.125 -68.6021 -75.2473 79.5296 -153.279 58.5184 -124.094 17.2068 -410.936 PRESSAVG: 4213000 5.08926 59.5562 -4.70767 59.5562 -5.2827 -36.9675 -4.70765 -36.9675 -1.33672 GPRESSAVG: 4213000 5.15905 59.3755 -3.93942 57.7557 -4.69858 -39.3222 -7.87185 -33.7901 -1.3242 TIMING: 4213000 CPU: 12519.2, 0.00294538/step Wall: 12519.2, 0.00294538/step, 0.643893 hours remaining, 207.750000 MB of memory in use. ENERGY: 4213000 766.5594 2098.5790 1917.6380 106.1482 -205480.1038 17338.5199 0.0000 0.0000 34149.3037 -149103.3557 298.2344 -183252.6594 -149010.6463 299.4645 -295.7521 -263.7801 557491.9302 -0.5101 -0.2879 PRESSURE: 4213200 53.5773 18.0205 -196.984 18.021 -30.8751 -5.33018 -196.983 -5.32994 -203.618 GPRESSURE: 4213200 54.8648 22.331 -153.272 25.2273 28.3191 -91.1419 -150.822 65.132 -163.772 PRESSAVG: 4213200 -26.8162 9.25114 -65.9388 9.25106 82.3318 -37.8756 -65.9388 -37.8756 -37.1837 GPRESSAVG: 4213200 -25.3489 10.3762 -64.183 9.5099 81.6999 -37.5607 -66.2334 -39.0311 -38.0104 TIMING: 4213200 CPU: 12519.8, 0.00294661/step Wall: 12519.8, 0.00294661/step, 0.643999 hours remaining, 207.750000 MB of memory in use. ENERGY: 4213200 731.5696 2126.7144 1919.0946 123.1249 -206426.9331 17794.1627 0.0000 0.0000 34421.7557 -149310.5112 300.6138 -183732.2669 -149216.0930 299.4197 -60.3053 -26.8626 556396.9945 6.1106 6.1135 PRESSURE: 4213400 113.234 248.679 163.977 248.679 140.218 53.0589 163.978 53.0602 -18.2942 GPRESSURE: 4213400 108.603 255.038 199.392 167.097 165.438 83.2001 150.804 5.05424 65.9083 PRESSAVG: 4213400 69.9492 55.1092 -35.6857 55.1092 17.0383 -33.411 -35.6856 -33.4109 -40.9429 GPRESSAVG: 4213400 69.2832 53.7299 -37.3823 55.616 17.0043 -33.118 -34.3428 -32.6947 -39.5805 TIMING: 4213400 CPU: 12520.4, 0.00295319/step Wall: 12520.4, 0.00295319/step, 0.645272 hours remaining, 207.750000 MB of memory in use. ENERGY: 4213400 766.4995 2100.7321 1911.9098 115.5985 -206643.2283 17990.8694 0.0000 0.0000 34203.7626 -149553.8564 298.7100 -183757.6190 -149463.9859 298.9936 78.3860 113.3166 554779.9169 15.3482 15.5690 PRESSURE: 4213600 -280.681 143.504 99.1153 143.505 -144.252 47.6296 99.1141 47.6288 -137.915 GPRESSURE: 4213600 -199.322 89.7639 138.763 161.444 -147.561 136.431 76.585 23.8204 -102.192 PRESSAVG: 4213600 -40.9973 50.1474 -14.224 50.1475 32.446 5.87749 -14.224 5.8773 16.0908 GPRESSAVG: 4213600 -41.5868 49.7349 -12.7053 51.7438 32.1864 7.70416 -13.9911 5.11743 16.8293 TIMING: 4213600 CPU: 12521, 0.00294934/step Wall: 12521, 0.00294934/step, 0.644267 hours remaining, 207.750000 MB of memory in use. ENERGY: 4213600 747.1841 2119.6754 1925.4433 116.8282 -206440.9897 17601.4257 0.0000 0.0000 34425.5599 -149504.8731 300.6470 -183930.4330 -149419.2438 298.4495 -187.6158 -149.6916 556554.4848 2.5132 2.4763 PRESSURE: 4213800 -93.2997 -110.414 -93.9674 -110.414 -55.1036 148.688 -93.9673 148.687 399.903 GPRESSURE: 4213800 -53.7622 -42.8994 -76.6964 -146.83 19.8999 104.725 -120.888 122.973 389.955 PRESSAVG: 4213800 -68.4465 13.7359 -22.0993 13.7358 55.9401 34.486 -22.0993 34.4859 20.0782 GPRESSAVG: 4213800 -68.1994 16.3277 -24.0314 13.5484 56.6969 31.6941 -20.7017 34.8387 18.8907 TIMING: 4213800 CPU: 12521.5, 0.00293512/step Wall: 12521.5, 0.00293512/step, 0.640997 hours remaining, 207.750000 MB of memory in use. ENERGY: 4213800 735.7067 2138.4762 1934.9226 109.4691 -206816.9070 18116.3031 0.0000 0.0000 34368.7016 -149413.3277 300.1504 -183782.0293 -149317.7772 299.5393 83.8333 118.6974 556785.4798 2.5239 2.4627 PRESSURE: 4214000 -78.6663 -43.1541 -39.0357 -43.153 -70.7553 84.8418 -39.0352 84.8426 174.972 GPRESSURE: 4214000 -30.6962 -29.8124 -80.0407 -40.4189 -39.9731 -66.2956 61.3829 104.591 186.635 PRESSAVG: 4214000 -45.3283 55.0912 11.3901 55.0912 36.292 18.0406 11.3901 18.0407 54.1678 GPRESSAVG: 4214000 -45.3524 54.424 11.17 52.9556 36.2255 17.3769 11.4794 19.6486 54.079 TIMING: 4214000 CPU: 12522.1, 0.00293361/step Wall: 12522.1, 0.00293361/step, 0.640504 hours remaining, 207.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4214000 717.1098 2068.5858 1900.7055 115.0547 -206690.9546 17836.5850 0.0000 0.0000 34407.9822 -149644.9316 300.4935 -184052.9138 -149548.3018 298.9060 8.5169 38.6553 555974.5921 15.0438 14.9840 PRESSURE: 4214200 -1.02661 27.9247 -72.9258 27.9248 -131.263 84.4948 -72.9258 84.4947 -7.33564 GPRESSURE: 4214200 -47.1631 43.6597 -26.6977 28.9164 -75.5961 57.0595 -99.2571 157.69 89.3772 PRESSAVG: 4214200 -33.037 -40.6869 -5.07903 -40.6868 -53.1705 -21.0196 -5.07908 -21.0195 89.9167 GPRESSAVG: 4214200 -31.9047 -43.0294 -4.6684 -38.3412 -54.5211 -16.7096 -6.07554 -24.0941 89.8821 TIMING: 4214200 CPU: 12522.7, 0.00292081/step Wall: 12522.7, 0.00292081/step, 0.637549 hours remaining, 207.750000 MB of memory in use. ENERGY: 4214200 691.4843 2045.5336 1943.0730 119.8945 -206393.0840 17667.2553 0.0000 0.0000 34379.6707 -149546.1726 300.2462 -183925.8433 -149443.4734 298.5714 -46.5416 -11.1273 556637.1351 1.2364 1.1521 PRESSURE: 4214400 -189.882 52.3366 90.8451 52.3352 213.85 28.9463 90.8449 28.9478 34.2738 GPRESSURE: 4214400 -140.622 -72.0978 79.2226 186.642 196.275 23.9101 30.1193 21.4671 94.7281 PRESSAVG: 4214400 -41.9385 6.47014 -39.9371 6.4701 3.47044 -10.1908 -39.9371 -10.1907 98.8013 GPRESSAVG: 4214400 -42.9417 9.01875 -38.7414 4.81542 3.51582 -14.5276 -41.3273 -8.03799 99.64 TIMING: 4214400 CPU: 12523.3, 0.0029327/step Wall: 12523.3, 0.0029327/step, 0.63998 hours remaining, 207.750000 MB of memory in use. ENERGY: 4214400 742.8380 2116.2574 1906.6666 105.3197 -206353.6760 17943.4974 0.0000 0.0000 34159.0071 -149380.0899 298.3191 -183539.0970 -149283.8147 298.5873 19.4139 50.1270 557259.8269 20.1111 20.0713 PRESSURE: 4214600 -215.578 19.7269 -86.885 19.7262 -2.1172 58.4884 -86.8861 58.489 -126.161 GPRESSURE: 4214600 -172.746 148.565 -62.7069 44.4258 45.13 -16.8299 -120.289 130.057 -109.412 PRESSAVG: 4214600 -49.9113 32.807 -26.2958 32.807 -29.7353 37.812 -26.2958 37.812 87.0248 GPRESSAVG: 4214600 -51.1667 32.2836 -26.9866 32.2608 -28.5439 36.9126 -23.766 38.3458 86.4298 TIMING: 4214600 CPU: 12523.9, 0.00294197/step Wall: 12523.9, 0.00294197/step, 0.641841 hours remaining, 207.750000 MB of memory in use. ENERGY: 4214600 744.7842 2106.7320 1933.8195 115.4715 -206060.6403 17692.2773 0.0000 0.0000 34051.2239 -149416.3320 297.3778 -183467.5558 -149319.4463 299.2179 -114.6188 -79.0096 557114.2940 2.4594 2.2398 PRESSURE: 4214800 -262.401 -57.72 96.1761 -57.7203 -96.196 109.836 96.1762 109.836 86.4945 GPRESSURE: 4214800 -199.919 -92.6988 23.8207 -90.1569 -73.1518 66.4222 83.8923 128.445 106.808 PRESSAVG: 4214800 11.446 -44.0918 -54.3314 -44.0918 8.0761 -7.27624 -54.3314 -7.27611 2.64148 GPRESSAVG: 4214800 12.9366 -45.6558 -56.3969 -41.6204 6.55254 -4.20813 -56.2358 -7.83115 2.77132 TIMING: 4214800 CPU: 12524.5, 0.00296152/step Wall: 12524.5, 0.00296152/step, 0.64594 hours remaining, 207.750000 MB of memory in use. ENERGY: 4214800 752.4340 2099.1764 1938.0533 117.6169 -206260.6777 17747.9571 0.0000 0.0000 34314.1972 -149291.2427 299.6744 -183605.4399 -149202.6016 299.0698 -90.7008 -55.4209 557827.7282 7.3879 7.4201 PRESSURE: 4215000 59.8175 -8.88723 56.899 -8.88663 -90.1615 25.5367 56.8985 25.535 -81.6035 GPRESSURE: 4215000 42.1376 -0.219293 45.997 -7.32819 3.73298 90.9943 19.7601 96.3323 -73.0325 PRESSAVG: 4215000 -63.8013 18.3843 -13.1601 18.3843 -15.1028 0.775757 -13.1601 0.77575 69.3559 GPRESSAVG: 4215000 -65.1156 17.2104 -10.3451 18.6592 -13.5295 -0.338889 -14.3649 -0.0524871 68.712 TIMING: 4215000 CPU: 12525.1, 0.00296483/step Wall: 12525.1, 0.00296483/step, 0.646497 hours remaining, 207.750000 MB of memory in use. ENERGY: 4215000 769.0957 2104.2737 1952.0627 111.3337 -206047.3704 17754.8505 0.0000 0.0000 34119.9870 -149235.7671 297.9783 -183355.7541 -149139.7140 299.0693 -37.3158 -9.0540 558771.2243 -3.1827 -3.3110 PRESSURE: 4215200 -232.314 111.037 -39.2074 111.036 -108.685 15.5405 -39.2084 15.5401 -40.4422 GPRESSURE: 4215200 -223.742 65.0532 -68.2721 106.244 -40.1503 73.5819 58.326 51.6275 -26.5664 PRESSAVG: 4215200 -80.482 -40.9956 -32.8292 -40.9957 42.6595 40.033 -32.8292 40.033 56.237 GPRESSAVG: 4215200 -79.8069 -38.137 -32.6567 -44.0562 42.0714 40.7818 -33.6426 41.0211 56.4238 TIMING: 4215200 CPU: 12525.7, 0.00292876/step Wall: 12525.7, 0.00292876/step, 0.638469 hours remaining, 207.750000 MB of memory in use. ENERGY: 4215200 756.5182 2105.6749 1956.6993 110.0920 -205903.6361 17367.5972 0.0000 0.0000 34271.3358 -149335.7186 299.3001 -183607.0545 -149239.2529 298.4175 -127.1473 -96.8196 556814.5137 6.1382 6.2294 PRESSURE: 4215400 -76.864 -59.7681 -44.3235 -59.768 144.27 146.557 -44.3232 146.556 136.389 GPRESSURE: 4215400 15.9418 -5.34046 -92.306 -85.218 193.453 138.116 -11.6687 139.553 89.9828 PRESSAVG: 4215400 -76.9594 -11.5534 30.0746 -11.5536 24.9434 67.5742 30.0747 67.5741 43.8079 GPRESSAVG: 4215400 -77.3381 -13.0486 28.4084 -10.5084 24.8507 68.0694 32.4615 65.506 44.13 TIMING: 4215400 CPU: 12526.2, 0.002925/step Wall: 12526.2, 0.002925/step, 0.637488 hours remaining, 207.750000 MB of memory in use. ENERGY: 4215400 715.3466 2073.2462 1944.4778 109.1498 -206291.9357 17858.6647 0.0000 0.0000 34361.1085 -149229.9421 300.0841 -183591.0505 -149135.1259 299.5392 67.9317 99.7925 556802.6404 -2.7360 -2.7858 PRESSURE: 4215600 -0.588324 -45.7324 41.1677 -45.7329 4.51948 -83.7581 41.1678 -83.7594 -172.873 GPRESSURE: 4215600 -21.2729 -51.9802 43.4528 -145.639 21.1346 -12.925 43.0576 -41.4808 -71.8771 PRESSAVG: 4215600 30.8752 22.9173 43.3425 22.9173 -45.2866 -7.91961 43.3425 -7.91953 32.8143 GPRESSAVG: 4215600 29.8559 22.4374 42.8513 22.7669 -45.0406 -8.77486 43.3784 -6.95168 33.2064 TIMING: 4215600 CPU: 12526.8, 0.00295099/step Wall: 12526.8, 0.00295099/step, 0.642987 hours remaining, 207.750000 MB of memory in use. ENERGY: 4215600 735.1279 2153.4669 1939.7577 123.4215 -206392.9692 17874.5134 0.0000 0.0000 34394.1889 -149172.4929 300.3730 -183566.6818 -149080.3497 299.4085 -56.3141 -24.0051 558386.6584 6.1343 6.0072 PRESSURE: 4215800 76.1789 23.4403 -176.608 23.4402 5.42379 62.0071 -176.608 62.0088 312.892 GPRESSURE: 4215800 98.8436 -32.8599 -195.541 4.72105 61.067 29.5798 -172.361 57.284 336.121 PRESSAVG: 4215800 -23.9393 -28.579 -26.7021 -28.579 -58.6901 8.80321 -26.7021 8.80331 63.3753 GPRESSAVG: 4215800 -23.7605 -27.7762 -25.0217 -29.7141 -57.3237 9.04221 -26.4989 9.53484 61.9838 TIMING: 4215800 CPU: 12527.4, 0.00294436/step Wall: 12527.4, 0.00294436/step, 0.641379 hours remaining, 207.750000 MB of memory in use. ENERGY: 4215800 724.9547 2041.0262 1913.9605 115.9663 -206546.7964 18116.3937 0.0000 0.0000 34388.8355 -149245.6596 300.3263 -183634.4950 -149142.2016 299.3456 131.4983 165.3439 558129.8993 -6.4180 -6.3668 PRESSURE: 4216000 200.109 42.5172 -21.8623 42.5156 169.477 -53.5478 -21.8613 -53.5486 85.0158 GPRESSURE: 4216000 195.901 35.0194 79.9767 -17.1768 209.499 -92.014 -42.0374 -53.5383 157.371 PRESSAVG: 4216000 -26.853 13.3863 -35.735 13.3862 3.25004 -23.2528 -35.7351 -23.2526 7.5289 GPRESSAVG: 4216000 -26.2242 13.6979 -35.5263 12.9363 2.17646 -22.7688 -35.8906 -25.0131 7.66499 TIMING: 4216000 CPU: 12528, 0.0029561/step Wall: 12528, 0.0029561/step, 0.643772 hours remaining, 207.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4216000 755.9657 2079.9590 1952.7565 115.0138 -206315.8798 18011.8184 0.0000 0.0000 34338.8548 -149061.5117 299.8898 -183400.3664 -148963.1852 299.6503 151.5342 187.5904 557192.5716 -5.3580 -5.4609 PRESSURE: 4216200 -65.7489 -74.872 110.966 -74.8708 -23.3982 -21.9193 110.966 -21.9186 -35.2601 GPRESSURE: 4216200 -11.8553 -106.428 45.6492 -61.269 50.0508 -112.365 199.869 32.0287 -49.7762 PRESSAVG: 4216200 5.03448 -5.57227 17.9112 -5.57229 -14.731 -13.2991 17.9112 -13.2992 -15.2962 GPRESSAVG: 4216200 4.74756 -6.30679 16.4449 -3.42038 -15.2405 -14.2433 18.4952 -11.1825 -14.5524 TIMING: 4216200 CPU: 12528.6, 0.00293606/step Wall: 12528.6, 0.00293606/step, 0.639245 hours remaining, 207.750000 MB of memory in use. ENERGY: 4216200 749.9087 2098.3329 1928.8582 120.1872 -206213.1107 17890.8043 0.0000 0.0000 34437.0340 -148987.9855 300.7472 -183425.0195 -148895.0164 299.7407 -41.4691 -3.8602 558123.5962 -8.3309 -8.3484 LDB: ============= START OF LOAD BALANCING ============== 12532.1 LDB: ============== END OF LOAD BALANCING =============== 12532.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12532.2 LDB: ============= START OF LOAD BALANCING ============== 12532.4 LDB: Largest compute 4809 load 0.022452 is 19.0% of average load 0.118171 LDB: Average compute 0.001728 is 1.5% of average load 0.118171 LDB: TIME 12532.4 LOAD: AVG 0.118171 MAX 0.195972 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.699 MB LDB: TIME 12532.4 LOAD: AVG 0.118171 MAX 0.195972 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.703 MB LDB: TIME 12532.4 LOAD: AVG 0.118171 MAX 0.195972 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.703 MB LDB: ============== END OF LOAD BALANCING =============== 12532.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12532.5 PRESSURE: 4216400 -325.029 -56.9925 15.1985 -56.9931 15.7495 46.4098 15.1971 46.4092 -261.935 GPRESSURE: 4216400 -264.793 -91.9595 33.2656 -31.646 1.73421 70.6495 -71.5921 63.3746 -215.901 PRESSAVG: 4216400 77.6319 13.456 7.49279 13.4559 -50.3406 -7.93106 7.49284 -7.93115 -36.1837 GPRESSAVG: 4216400 78.8737 15.6623 8.54794 11.2466 -50.7653 -7.77398 4.57499 -9.12167 -36.8087 TIMING: 4216400 CPU: 12529.2, 0.00299302/step Wall: 12529.2, 0.00299302/step, 0.651481 hours remaining, 207.187500 MB of memory in use. ENERGY: 4216400 736.9470 2090.7542 1925.0831 124.9118 -205864.4610 17631.0006 0.0000 0.0000 34471.1361 -148884.6283 301.0450 -183355.7644 -148784.7132 299.6364 -190.4046 -159.6533 559023.6282 -2.9641 -2.9001 PRESSURE: 4216600 19.5923 -188.02 147.199 -188.019 85.0702 -35.4144 147.199 -35.4156 -77.3772 GPRESSURE: 4216600 13.0993 -192.337 162.095 -151.279 151.008 -55.3543 57.027 -64.7223 -47.6367 PRESSAVG: 4216600 20.5639 0.764862 -19.9494 0.764872 -4.8882 24.4719 -19.9493 24.4719 -19.7321 GPRESSAVG: 4216600 20.2306 0.775425 -21.4521 1.93417 -4.44896 25.9614 -17.8093 24.7136 -19.6947 TIMING: 4216600 CPU: 12529.8, 0.00295319/step Wall: 12529.8, 0.00295319/step, 0.642646 hours remaining, 207.386719 MB of memory in use. ENERGY: 4216600 741.0306 2118.3137 1933.5301 120.1075 -206109.0665 17843.8721 0.0000 0.0000 34408.0661 -148944.1464 300.4942 -183352.2125 -148850.3500 299.4231 9.0951 38.8235 557253.2110 -1.3521 -1.3044 PRESSURE: 4216800 19.7065 28.6196 -59.8386 28.6188 -80.1387 -90.9736 -59.8379 -90.9754 -160.1 GPRESSURE: 4216800 37.7179 47.084 -29.1781 -51.2052 -82.1672 -116.712 -82.4294 -86.6566 -90.5178 PRESSAVG: 4216800 33.1127 -47.7419 -8.35752 -47.7419 33.4354 -41.2472 -8.35749 -41.2471 -87.1563 GPRESSAVG: 4216800 32.8152 -50.2165 -5.94083 -47.4307 33.2398 -42.415 -8.5293 -42.6853 -86.6096 TIMING: 4216800 CPU: 12530.4, 0.00292778/step Wall: 12530.4, 0.00292778/step, 0.636954 hours remaining, 207.492188 MB of memory in use. ENERGY: 4216800 711.4647 2065.7703 1912.9011 114.9345 -205473.3510 17448.0972 0.0000 0.0000 34182.0969 -149038.0862 298.5208 -183220.1831 -148934.0667 299.4557 -73.5108 -44.9890 557636.8487 -6.8694 -6.8515 PRESSURE: 4217000 -240.591 39.1854 157.344 39.1852 -178.077 -49.7566 157.344 -49.7571 -241.306 GPRESSURE: 4217000 -250.963 22.8552 73.1447 64.7402 -169.873 -15.2616 173.667 -60.248 -150.247 PRESSAVG: 4217000 129.08 10.7611 33.2033 10.7611 -74.254 -11.7145 33.2033 -11.7143 -12.0107 GPRESSAVG: 4217000 130.327 12.2845 31.5148 10.1835 -74.5253 -11.8184 35.0692 -11.4035 -12.6628 TIMING: 4217000 CPU: 12531, 0.00294234/step Wall: 12531, 0.00294234/step, 0.63996 hours remaining, 207.492188 MB of memory in use. ENERGY: 4217000 757.1185 2062.9611 1931.3304 119.9911 -205809.5274 17617.0936 0.0000 0.0000 34199.7955 -149121.2372 298.6753 -183321.0327 -149028.6494 299.4815 -219.9914 -190.3611 558226.8012 14.2718 14.3797 PRESSURE: 4217200 -149.665 -0.305178 117.063 -0.305254 82.2627 -16.2634 117.064 -16.2629 -49.023 GPRESSURE: 4217200 -101.63 -33.3326 167.647 34.8071 84.4743 -112.384 13.6052 34.2667 -12.5534 PRESSAVG: 4217200 35.5674 57.9652 39.4841 57.9653 -12.9526 -29.7167 39.4841 -29.7167 -37.5985 GPRESSAVG: 4217200 34.7066 55.9774 39.0487 60.2257 -12.6327 -29.6565 38.5885 -29.7491 -37.9233 TIMING: 4217200 CPU: 12531.6, 0.00294125/step Wall: 12531.6, 0.00294125/step, 0.639559 hours remaining, 207.492188 MB of memory in use. ENERGY: 4217200 736.1327 2039.7667 1927.3145 108.6651 -206096.5409 17781.8821 0.0000 0.0000 34395.2307 -149107.5491 300.3821 -183502.7798 -149013.6188 300.3453 -38.8086 -9.9029 558657.7055 -4.9946 -5.2831 PRESSURE: 4217400 25.4083 78.1585 -19.3378 78.1595 -98.5608 -58.8913 -19.3366 -58.8918 -106.482 GPRESSURE: 4217400 16.4113 72.1322 -53.1308 97.2032 -44.7056 -106.293 -30.369 -67.2485 -51.3261 PRESSAVG: 4217400 41.9421 22.8096 5.01565 22.8096 -12.1205 20.6447 5.01561 20.6447 16.5482 GPRESSAVG: 4217400 41.8685 25.7357 4.94812 21.1481 -10.9048 20.7199 4.59353 22.6276 16.1479 TIMING: 4217400 CPU: 12532.1, 0.00294869/step Wall: 12532.1, 0.00294869/step, 0.641012 hours remaining, 207.558594 MB of memory in use. ENERGY: 4217400 704.4370 2079.2242 1943.0463 112.0193 -206120.7419 17611.8105 0.0000 0.0000 34517.4065 -149152.7981 301.4491 -183670.2047 -149061.3763 300.0988 -59.8782 -26.5402 558033.8452 15.4566 15.7039 PRESSURE: 4217600 111.204 70.1879 21.6257 70.1877 -44.2922 -12.2795 21.6238 -12.2784 89.2034 GPRESSURE: 4217600 190.45 136.858 -64.7007 47.1036 -81.1981 -33.155 71.9936 -8.65265 142.21 PRESSAVG: 4217600 48.5066 35.7507 50.534 35.7507 -61.5796 16.3952 50.534 16.3951 17.0469 GPRESSAVG: 4217600 48.0089 31.8312 49.7948 37.1547 -62.4038 14.5811 51.5892 15.6223 19.0071 TIMING: 4217600 CPU: 12532.7, 0.00297455/step Wall: 12532.7, 0.00297455/step, 0.646469 hours remaining, 207.558594 MB of memory in use. ENERGY: 4217600 741.3824 2052.4870 1925.9398 109.8683 -206421.2818 18019.8216 0.0000 0.0000 34426.6189 -149145.1636 300.6562 -183571.7826 -149055.4979 299.8905 52.0383 83.8204 558055.9706 1.3246 1.5374 PRESSURE: 4217800 17.8697 -58.4161 -156.501 -58.4162 -251.501 -20.0812 -156.5 -20.0828 -117.587 GPRESSURE: 4217800 31.8262 -43.0673 -117.863 -45.9837 -229.029 111.371 -210.066 -67.9155 -50.3285 PRESSAVG: 4217800 -3.72576 22.1849 24.2208 22.1848 -30.5556 -45.2332 24.2207 -45.2333 36.8286 GPRESSAVG: 4217800 -3.82371 24.23 24.2315 20.9138 -30.085 -43.6245 25.9111 -47.9197 36.5732 TIMING: 4217800 CPU: 12533.3, 0.00296206/step Wall: 12533.3, 0.00296206/step, 0.643591 hours remaining, 207.558594 MB of memory in use. ENERGY: 4217800 792.6981 2096.3684 1931.8429 115.2572 -206246.1234 17907.6161 0.0000 0.0000 34442.4207 -148959.9200 300.7942 -183402.3408 -148859.1337 299.6028 -117.0726 -82.5103 558821.2222 0.8491 0.8881 PRESSURE: 4218000 -204.538 -14.794 -141.012 -14.7941 -11.7574 -54.0384 -141.012 -54.0385 -280.385 GPRESSURE: 4218000 -145.512 -58.1755 -146.522 22.4575 -19.8862 -79.708 -79.6869 -28.1647 -240.006 PRESSAVG: 4218000 -34.8082 45.3887 -0.768821 45.3888 78.6981 -18.4853 -0.768858 -18.4854 -67.5364 GPRESSAVG: 4218000 -33.4828 48.5489 -0.0259685 45.1907 78.0564 -18.2586 -2.30057 -16.6339 -67.981 TIMING: 4218000 CPU: 12533.9, 0.00297805/step Wall: 12533.9, 0.00297805/step, 0.646898 hours remaining, 207.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4218000 748.9572 2061.5699 1920.8506 117.7649 -205682.3336 17477.6274 0.0000 0.0000 34198.6953 -149156.8683 298.6657 -183355.5636 -149058.7227 300.7374 -165.5602 -135.1346 558127.6499 -7.8822 -7.8024 PRESSURE: 4218200 225.278 -67.9557 164.397 -67.9554 110.085 -15.4504 164.397 -15.4512 -183.428 GPRESSURE: 4218200 202.581 -65.2734 90.807 -113.171 143.267 -20.0168 191.256 18.6404 -113.024 PRESSAVG: 4218200 10.9821 62.7039 20.8544 62.7039 57.2258 14.628 20.8545 14.6278 -26.1734 GPRESSAVG: 4218200 9.57609 60.2888 21.0625 64.3062 57.8006 13.7632 22.0426 14.4959 -25.788 TIMING: 4218200 CPU: 12534.5, 0.00296183/step Wall: 12534.5, 0.00296183/step, 0.64321 hours remaining, 207.558594 MB of memory in use. ENERGY: 4218200 763.4058 2106.9812 1962.6536 119.2645 -206251.3143 17837.5544 0.0000 0.0000 34224.0832 -149237.3716 298.8874 -183461.4548 -149146.3079 300.0095 50.6449 77.6080 555667.5457 14.0115 13.8629 PRESSURE: 4218400 202.375 -156.923 -107.744 -156.923 19.0761 58.3532 -107.744 58.3545 -99.9201 GPRESSURE: 4218400 190.886 -175.805 -154.289 -140.011 27.8115 71.3038 -102.314 10.7073 -13.7039 PRESSAVG: 4218400 47.6535 53.3264 -24.423 53.3264 -24.2029 40.499 -24.423 40.499 -33.021 GPRESSAVG: 4218400 47.9563 52.6475 -23.5732 52.6693 -24.2436 38.7988 -25.4669 42.3877 -33.6824 TIMING: 4218400 CPU: 12535.1, 0.00300228/step Wall: 12535.1, 0.00300228/step, 0.651828 hours remaining, 207.558594 MB of memory in use. ENERGY: 4218400 733.7937 2071.4694 1957.0311 118.9419 -206016.5929 17725.6824 0.0000 0.0000 34184.3620 -149225.3123 298.5405 -183409.6743 -149132.1981 299.2206 40.5103 68.3311 557750.0987 -3.1901 -3.3232 PRESSURE: 4218600 93.5685 -34.9509 -95.8632 -34.9509 79.893 176.918 -95.8634 176.917 6.89483 GPRESSURE: 4218600 127.457 28.2423 -34.4277 -54.7026 127.992 119.594 -36.7624 179.448 33.9843 PRESSAVG: 4218600 -38.2372 -21.2043 -22.9175 -21.2043 27.8609 64.9684 -22.9176 64.9684 3.21068 GPRESSAVG: 4218600 -36.9015 -20.778 -23.1615 -22.0613 27.4728 66.4292 -22.2277 62.557 2.5272 TIMING: 4218600 CPU: 12535.7, 0.00302262/step Wall: 12535.7, 0.00302262/step, 0.656077 hours remaining, 207.558594 MB of memory in use. ENERGY: 4218600 792.7135 2104.1956 1942.5389 132.2828 -206699.9381 18062.9380 0.0000 0.0000 34576.3294 -149088.9399 301.9637 -183665.2693 -148999.0536 299.9952 60.1188 96.4777 556933.5969 -2.3885 -2.3005 PRESSURE: 4218800 89.1548 -145.05 9.83626 -145.051 112.468 149.976 9.83536 149.974 -191.937 GPRESSURE: 4218800 87.5061 -79.1035 -32.1262 -109.598 154.725 258.019 75.1018 37.1263 -133.593 PRESSAVG: 4218800 -40.363 6.95621 23.0157 6.95629 27.4547 75.2012 23.0158 75.2012 -8.55432 GPRESSAVG: 4218800 -41.0581 6.94489 24.8554 9.44779 27.1005 73.9787 20.8274 75.6379 -8.14083 TIMING: 4218800 CPU: 12536.3, 0.00297635/step Wall: 12536.3, 0.00297635/step, 0.645867 hours remaining, 207.558594 MB of memory in use. ENERGY: 4218800 743.2328 2108.1607 1942.2923 110.5065 -206356.9444 17843.6366 0.0000 0.0000 34538.6788 -149070.4368 301.6349 -183609.1156 -148973.5323 299.3423 3.2287 36.2127 557579.4836 -7.1542 -7.3661 PRESSURE: 4219000 34.257 43.0134 26.1037 43.0144 323.562 4.95308 26.1039 4.95282 99.3271 GPRESSURE: 4219000 53.6195 18.6045 20.4439 54.7939 306.585 85.7587 91.1441 -113.517 180.72 PRESSAVG: 4219000 -52.4107 58.8318 4.13842 58.8318 7.41084 -56.9022 4.13843 -56.9023 21.4722 GPRESSAVG: 4219000 -52.0568 59.2838 2.6314 57.8724 6.43703 -56.792 6.32541 -56.9147 21.568 TIMING: 4219000 CPU: 12536.9, 0.00297108/step Wall: 12536.9, 0.00297108/step, 0.64456 hours remaining, 207.558594 MB of memory in use. ENERGY: 4219000 746.9993 2050.4764 1935.7619 121.4031 -206545.7104 17956.7026 0.0000 0.0000 34627.6372 -149106.7299 302.4118 -183734.3671 -149014.7786 299.9686 152.3821 180.3079 556576.4068 -7.8425 -8.0173 PRESSURE: 4219200 -37.1072 80.2738 -116.987 80.2737 -201.192 20.9221 -116.987 20.9228 21.4308 GPRESSURE: 4219200 4.41413 72.989 -91.8528 33.4715 -125.503 52.9108 -68.739 -34.3991 -6.10686 PRESSAVG: 4219200 -15.7367 43.7393 -2.44056 43.7393 54.3179 -63.1591 -2.44058 -63.1592 -5.65536 GPRESSAVG: 4219200 -15.9787 43.7271 -3.68614 43.2101 55.1239 -62.1115 -1.39659 -62.7813 -6.07666 TIMING: 4219200 CPU: 12537.5, 0.00298038/step Wall: 12537.5, 0.00298038/step, 0.646412 hours remaining, 207.558594 MB of memory in use. ENERGY: 4219200 709.1944 2184.1661 1928.5045 108.8132 -206116.2499 17595.5098 0.0000 0.0000 34274.1003 -149315.9616 299.3242 -183590.0619 -149228.2512 299.6024 -72.2896 -42.3987 557734.5726 10.9753 11.0228 PRESSURE: 4219400 119.889 200.443 -42.9682 200.443 82.7086 83.6521 -42.9686 83.6537 -270.672 GPRESSURE: 4219400 190.868 197.514 -17.0946 174.831 122.585 125.503 -130.086 -16.748 -269.07 PRESSAVG: 4219400 14.6731 -28.2272 31.7901 -28.2273 -70.0358 -19.8847 31.7902 -19.8847 39.0408 GPRESSAVG: 4219400 15.9106 -28.823 32.0762 -28.7275 -71.0924 -20.4408 30.2219 -21.1434 38.9423 TIMING: 4219400 CPU: 12538.1, 0.00294222/step Wall: 12538.1, 0.00294222/step, 0.637972 hours remaining, 207.558594 MB of memory in use. ENERGY: 4219400 741.9304 2117.7924 1939.6091 123.3349 -206360.9794 17839.6313 0.0000 0.0000 34314.5968 -149284.0844 299.6779 -183598.6812 -149180.8472 298.9996 -22.6916 14.7945 558224.1536 -5.4406 -5.4132 PRESSURE: 4219600 -63.2668 -51.8736 -37.1316 -51.874 -94.1906 137 -37.1324 136.999 -28.9725 GPRESSURE: 4219600 8.47471 -17.3193 -28.8351 -24.1094 -48.9743 119.586 -10.5214 133.376 -37.709 PRESSAVG: 4219600 4.58042 -15.3399 19.0987 -15.3399 -40.1575 19.7702 19.0987 19.7701 -4.72244 GPRESSAVG: 4219600 4.17841 -14.2025 20.8833 -14.6809 -38.5367 19.1198 19.6182 20.8608 -5.26988 TIMING: 4219600 CPU: 12538.7, 0.00298277/step Wall: 12538.7, 0.00298277/step, 0.646597 hours remaining, 207.558594 MB of memory in use. ENERGY: 4219600 806.2633 2100.8718 1933.4952 115.6428 -206168.6635 17776.6192 0.0000 0.0000 34312.4760 -149123.2950 299.6594 -183435.7711 -149029.2393 299.0524 -62.1433 -26.0695 557466.2266 -13.4332 -13.2094 PRESSURE: 4219800 242.401 -1.24688 0.440785 -1.24664 235.149 144.668 0.440501 144.667 168.612 GPRESSURE: 4219800 276.79 13.3236 72.2484 -24.8131 298.688 262.244 -53.8063 145.109 173.144 PRESSAVG: 4219800 13.9975 -11.8136 0.414354 -11.8136 -43.4005 11.6373 0.414313 11.6374 -21.8529 GPRESSAVG: 4219800 12.6443 -14.0295 -1.94508 -11.0439 -43.1263 10.63 0.177799 11.8916 -20.2717 TIMING: 4219800 CPU: 12539.3, 0.00297326/step Wall: 12539.3, 0.00297326/step, 0.64437 hours remaining, 207.558594 MB of memory in use. ENERGY: 4219800 752.3494 2090.1823 1925.2784 123.7700 -206429.0632 18041.1867 0.0000 0.0000 34211.9369 -149284.3596 298.7814 -183496.2965 -149191.0595 299.1359 215.3874 249.5404 556737.1603 -17.0853 -16.9179 PRESSURE: 4220000 141.654 9.53567 48.35 9.53509 11.5168 -88.5959 48.3495 -88.5956 -71.1277 GPRESSURE: 4220000 190.19 25.8866 122.732 -104.825 72.4551 -61.2719 -28.0219 -57.6749 -78.7851 PRESSAVG: 4220000 31.9266 -20.0393 98.2353 -20.0393 -23.4977 23.183 98.2353 23.183 42.9141 GPRESSAVG: 4220000 33.5387 -17.8814 98.7367 -19.5315 -23.6124 24.9097 97.7678 23.811 41.0626 TIMING: 4220000 CPU: 12539.9, 0.00297885/step Wall: 12539.9, 0.00297885/step, 0.645418 hours remaining, 207.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4220000 757.3511 2062.5806 1971.3390 118.7897 -206112.5026 17741.2981 0.0000 0.0000 34284.6187 -149176.5255 299.4161 -183461.1441 -149073.9950 299.7305 27.3478 61.2866 556755.8183 17.1143 16.9963 PRESSURE: 4220200 18.6317 110.703 114.476 110.703 -398.493 -135.954 114.475 -135.955 -79.195 GPRESSURE: 4220200 43.9933 170.156 109.676 76.3901 -355.278 -17.4663 87.533 -185.18 -47.4227 PRESSAVG: 4220200 64.0143 8.86053 -4.18335 8.86058 -9.19881 2.49484 -4.1833 2.49488 -25.7135 GPRESSAVG: 4220200 62.9493 9.41448 -4.39579 7.8716 -9.09501 2.3996 -4.57205 3.04179 -24.7586 TIMING: 4220200 CPU: 12540.5, 0.00294734/step Wall: 12540.5, 0.00294734/step, 0.638427 hours remaining, 207.558594 MB of memory in use. ENERGY: 4220200 764.3931 2131.1346 1931.5763 118.7479 -205807.8264 17590.7067 0.0000 0.0000 34124.2505 -149147.0172 298.0156 -183271.2677 -149049.5676 299.5677 -153.0188 -119.5690 557268.9281 9.7007 9.6986 LDB: ============= START OF LOAD BALANCING ============== 12544 LDB: ============== END OF LOAD BALANCING =============== 12544 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12544 LDB: ============= START OF LOAD BALANCING ============== 12544.3 LDB: Largest compute 4809 load 0.023814 is 20.1% of average load 0.118272 LDB: Average compute 0.001735 is 1.5% of average load 0.118272 LDB: TIME 12544.3 LOAD: AVG 0.118272 MAX 0.198472 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.512 MB LDB: TIME 12544.3 LOAD: AVG 0.118272 MAX 0.198472 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.516 MB LDB: TIME 12544.3 LOAD: AVG 0.118272 MAX 0.198472 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.516 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12544.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12544.3 PRESSURE: 4220400 22.1098 -101.84 71.7275 -101.84 18.6357 48.2671 71.7278 48.2671 -2.63295 GPRESSURE: 4220400 110.686 -10.1516 105.511 -151.124 16.031 -19.1362 88.8073 37.5389 -3.50794 PRESSAVG: 4220400 26.5397 37.4352 44.3199 37.4352 -23.7115 31.4761 44.3199 31.4762 -28.8959 GPRESSAVG: 4220400 26.7252 37.5849 45.1442 36.0093 -24.5898 32.3112 44.8097 29.5414 -28.751 TIMING: 4220400 CPU: 12541.1, 0.00304496/step Wall: 12541.1, 0.00304496/step, 0.659403 hours remaining, 207.253906 MB of memory in use. ENERGY: 4220400 734.9843 2127.5692 1953.1720 119.8339 -205971.7201 17683.3832 0.0000 0.0000 34357.3330 -148995.4445 300.0511 -183352.7775 -148895.1057 299.1169 12.7042 41.0698 557707.9597 -8.6893 -8.8719 PRESSURE: 4220600 -2.6655 -117.846 -23.5783 -117.846 121.237 48.6292 -23.579 48.6279 116.244 GPRESSURE: 4220600 34.7172 4.74048 -21.6918 -135.817 108.045 100.675 -51.3183 -59.0707 192.148 PRESSAVG: 4220600 64.0351 14.6174 10.7107 14.6175 -16.4464 23.2856 10.7107 23.2856 -59.2191 GPRESSAVG: 4220600 64.0155 14.6097 10.457 15.118 -16.4601 20.6193 12.9664 25.3527 -58.9113 TIMING: 4220600 CPU: 12541.7, 0.0029971/step Wall: 12541.7, 0.0029971/step, 0.648873 hours remaining, 207.253906 MB of memory in use. ENERGY: 4220600 746.6931 2108.6147 1973.8292 108.4734 -205990.8833 17971.6484 0.0000 0.0000 34240.9261 -148840.6983 299.0345 -183081.6244 -148744.5177 299.7818 78.2718 111.6369 558502.6213 -3.8768 -3.7853 PRESSURE: 4220800 -83.1828 22.8465 -29.0929 22.8451 -12.2293 -99.3148 -29.0929 -99.3141 263.001 GPRESSURE: 4220800 14.1165 8.58126 74.5121 54.028 43.7697 -68.458 -103.06 -134.249 208.979 PRESSAVG: 4220800 40.9828 16.0708 9.51046 16.0708 -9.93388 -25.3726 9.51047 -25.3725 -0.260296 GPRESSAVG: 4220800 41.1015 15.4361 8.82797 16.3773 -9.56161 -23.1922 8.23234 -28.2072 -1.14832 TIMING: 4220800 CPU: 12542.3, 0.00296794/step Wall: 12542.3, 0.00296794/step, 0.642394 hours remaining, 207.253906 MB of memory in use. ENERGY: 4220800 749.3498 2046.5663 1924.7722 112.1965 -205968.6579 17848.1813 0.0000 0.0000 34294.9120 -148992.6799 299.5060 -183287.5919 -148891.1727 300.2794 55.8628 88.9550 557999.4531 10.2629 10.1305 PRESSURE: 4221000 -101.288 -101.219 206.956 -101.219 76.0943 -8.93262 206.955 -8.93359 12.5485 GPRESSURE: 4221000 -9.33728 7.64209 220.816 -153.425 58.5344 -30.2314 196.294 -57.8332 32.2721 PRESSAVG: 4221000 43.0393 -22.1599 33.6652 -22.1597 -23.7811 -29.2305 33.6652 -29.2303 -24.0319 GPRESSAVG: 4221000 42.7087 -21.0705 33.5153 -20.9079 -24.1538 -30.1243 33.8685 -26.9452 -22.8228 TIMING: 4221000 CPU: 12542.9, 0.00296984/step Wall: 12542.9, 0.00296984/step, 0.642641 hours remaining, 207.253906 MB of memory in use. ENERGY: 4221000 752.0384 2090.0613 1974.6348 133.9072 -206049.0204 17724.7763 0.0000 0.0000 34455.9250 -148917.6774 300.9122 -183373.6024 -148828.7539 299.2863 -4.2151 27.1564 558563.5166 -1.5913 -1.4226 PRESSURE: 4221200 55.1444 -5.96069 134.461 -5.95952 -251.054 -11.8888 134.461 -11.8881 2.74632 GPRESSURE: 4221200 97.9387 -36.4257 187.693 18.5699 -213.364 -20.444 110.989 13.5096 20.3169 PRESSAVG: 4221200 35.7814 -8.2931 -38.9052 -8.29315 -34.7572 -28.9132 -38.9052 -28.9133 -9.42028 GPRESSAVG: 4221200 34.8039 -10.9351 -35.8293 -9.40712 -34.7406 -30.699 -38.3364 -27.8399 -8.91623 TIMING: 4221200 CPU: 12543.5, 0.00297353/step Wall: 12543.5, 0.00297353/step, 0.643274 hours remaining, 207.253906 MB of memory in use. ENERGY: 4221200 730.1484 2140.8481 1928.3651 124.8927 -205796.4991 17773.6658 0.0000 0.0000 34114.0312 -148984.5478 297.9263 -183098.5790 -148891.6875 299.2490 -64.3878 -31.7029 558612.2463 -2.7987 -2.9510 PRESSURE: 4221400 -117.849 -11.7842 27.753 -11.7839 -159.115 -86.2329 27.7525 -86.2323 5.65517 GPRESSURE: 4221400 -91.6703 33.2554 33.4053 -39.4682 -162.151 1.72289 -15.0238 -140.674 60.6226 PRESSAVG: 4221400 49.317 -27.9979 14.0393 -27.9979 19.5834 22.788 14.0393 22.788 -102.751 GPRESSAVG: 4221400 49.8713 -26.9552 13.1464 -27.1462 19.7382 25.6746 12.0304 20.7812 -103.1 TIMING: 4221400 CPU: 12544.1, 0.00296611/step Wall: 12544.1, 0.00296611/step, 0.641503 hours remaining, 207.253906 MB of memory in use. ENERGY: 4221400 765.1883 2069.5238 1939.7268 105.5070 -205771.7630 17577.5858 0.0000 0.0000 34344.5749 -148969.6564 299.9397 -183314.2313 -148870.6884 299.6690 -90.4360 -64.3995 557265.9305 -11.2836 -11.1633 PRESSURE: 4221600 -154.676 -176.885 -158.982 -176.885 134.18 -91.5452 -158.981 -91.5453 -9.26144 GPRESSURE: 4221600 -116.645 -201.353 -193.677 -138.965 170.254 -43.0792 -160.878 -96.5035 11.826 PRESSAVG: 4221600 35.9934 -40.4679 4.35821 -40.4678 32.638 -33.2805 4.35822 -33.2806 -70.4268 GPRESSAVG: 4221600 34.481 -40.7289 1.65764 -42.057 33.1674 -32.8938 4.85248 -33.1553 -69.9535 TIMING: 4221600 CPU: 12544.7, 0.00294865/step Wall: 12544.7, 0.00294865/step, 0.637564 hours remaining, 207.253906 MB of memory in use. ENERGY: 4221600 725.5590 2123.9277 1921.1837 103.2868 -205812.7634 17738.9034 0.0000 0.0000 34267.0391 -148932.8637 299.2626 -183199.9028 -148835.7302 299.6576 -9.9191 21.8117 557694.3919 -0.5985 -0.7683 PRESSURE: 4221800 13.9966 -11.2865 -90.8623 -11.2863 147.37 150.877 -90.8619 150.877 -100.662 GPRESSURE: 4221800 51.8418 -30.0988 -104.138 -9.61463 178.05 145.014 -30.5963 116.092 -75.2857 PRESSAVG: 4221800 -31.3482 78.721 -65.4661 78.7209 96.1293 58.7267 -65.4661 58.7267 -30.5577 GPRESSAVG: 4221800 -29.1159 80.44 -64.5896 78.5415 95.9093 56.9624 -64.0388 59.9973 -32.4831 TIMING: 4221800 CPU: 12545.2, 0.00296686/step Wall: 12545.2, 0.00296686/step, 0.641336 hours remaining, 207.253906 MB of memory in use. ENERGY: 4221800 691.3249 2084.1627 1904.9861 115.1881 -205657.9874 17718.1921 0.0000 0.0000 34238.6261 -148905.5075 299.0144 -183144.1336 -148804.9661 299.8259 20.2349 51.5355 557120.2723 11.4078 11.4368 PRESSURE: 4222000 404.866 99.7944 -87.4704 99.7944 165.294 239.906 -87.4702 239.907 205.267 GPRESSURE: 4222000 433.244 96.062 -36.2923 81.9446 205.111 161.765 -59.3103 290.323 240.771 PRESSAVG: 4222000 -9.32601 64.2183 -1.82327 64.2184 18.8214 24.6203 -1.82331 24.6204 -11.9936 GPRESSAVG: 4222000 -9.08957 63.2939 -2.17819 63.694 17.7671 25.2085 -0.707476 24.1969 -11.2473 TIMING: 4222000 CPU: 12545.8, 0.00296416/step Wall: 12545.8, 0.00296416/step, 0.640589 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4222000 729.2092 2100.2213 1921.5019 109.7183 -206137.2855 18120.9497 0.0000 0.0000 34417.0091 -148738.6760 300.5723 -183155.6851 -148637.6770 300.3895 258.4759 293.0418 557673.6503 -0.8327 -0.8566 PRESSURE: 4222200 90.3859 56.4414 -51.6171 56.4431 26.5174 37.1167 -51.6153 37.1165 -53.5265 GPRESSURE: 4222200 91.7427 1.34107 -8.39235 103.15 49.2196 -4.80323 -104.708 58.1603 19.4398 PRESSAVG: 4222200 -16.5995 74.2704 -11.542 74.2703 -28.3024 8.2041 -11.542 8.20409 19.2403 GPRESSAVG: 4222200 -17.5124 73.4636 -9.40439 73.9707 -27.4169 8.94075 -13.5426 7.19561 19.4142 TIMING: 4222200 CPU: 12546.4, 0.00296835/step Wall: 12546.4, 0.00296835/step, 0.641329 hours remaining, 207.253906 MB of memory in use. ENERGY: 4222200 734.7680 2077.9732 1947.0002 119.8763 -205916.6852 17955.1941 0.0000 0.0000 34306.0661 -148775.8072 299.6034 -183081.8733 -148684.3073 300.7336 21.1256 53.4674 557851.3364 -8.5539 -8.5050 PRESSURE: 4222400 -99.0455 87.4091 -119.456 87.4086 -99.1669 -94.1439 -119.456 -94.1428 117.367 GPRESSURE: 4222400 -13.5746 -64.419 -58.2946 54.9829 -125.472 -93.368 -173.7 -56.4392 160.078 PRESSAVG: 4222400 0.369467 16.9506 -18.2979 16.9508 -3.65915 -18.7446 -18.2979 -18.7447 13.6295 GPRESSAVG: 4222400 0.768334 16.3347 -19.5614 18.864 -4.56667 -18.7994 -18.2668 -19.2072 13.9979 TIMING: 4222400 CPU: 12547, 0.00296663/step Wall: 12547, 0.00296663/step, 0.640793 hours remaining, 207.253906 MB of memory in use. ENERGY: 4222400 772.1369 2087.8459 1909.2405 115.4538 -206110.2711 17977.0100 0.0000 0.0000 34323.6817 -148924.9023 299.7572 -183248.5840 -148829.2522 299.4834 -26.9484 7.0105 558790.6420 3.4466 3.3998 PRESSURE: 4222600 -170.541 -29.9103 -49.7826 -29.9122 -18.4963 -56.8738 -49.7828 -56.8743 -172.14 GPRESSURE: 4222600 -128.188 -19.5068 18.7092 -21.2217 30.7159 0.406001 -99.5843 -59.9469 -168.914 PRESSAVG: 4222600 -32.4337 -9.51876 -10.0367 -9.5187 1.59028 -55.9437 -10.0367 -55.9437 30.7412 GPRESSAVG: 4222600 -33.5155 -8.3059 -11.5269 -10.4329 3.01965 -55.2522 -7.9333 -55.3371 30.8316 TIMING: 4222600 CPU: 12547.6, 0.00296035/step Wall: 12547.6, 0.00296035/step, 0.639271 hours remaining, 207.253906 MB of memory in use. ENERGY: 4222600 777.8944 2047.3219 1930.5519 121.6857 -205984.7698 17758.9947 0.0000 0.0000 34399.1505 -148949.1707 300.4163 -183348.3211 -148848.8759 300.1402 -120.3922 -88.7955 558782.5596 -0.0341 0.1119 PRESSURE: 4222800 -179.95 77.1226 52.0474 77.1222 -259.921 -79.3221 52.0467 -79.3227 -276.376 GPRESSURE: 4222800 -229.775 127.004 28.5259 34.3375 -132.512 -20.5548 53.9553 -99.4005 -261.466 PRESSAVG: 4222800 -8.45731 6.16776 2.76387 6.16785 63.7875 7.97918 2.76381 7.97921 -59.5456 GPRESSAVG: 4222800 -7.20134 3.33511 4.04107 8.19135 62.9518 8.14224 1.02588 7.4947 -60.1756 TIMING: 4222800 CPU: 12548.2, 0.00296218/step Wall: 12548.2, 0.00296218/step, 0.639501 hours remaining, 207.253906 MB of memory in use. ENERGY: 4222800 723.8530 2126.4015 1935.8871 109.0034 -205419.9918 17286.8028 0.0000 0.0000 34232.2785 -149005.7655 298.9590 -183238.0440 -148911.6485 300.3333 -238.7488 -207.9175 558970.1696 -1.4051 -1.4750 PRESSURE: 4223000 121.684 123.694 116.193 123.693 100.908 -54.0184 116.191 -54.0168 -149.778 GPRESSURE: 4223000 176.693 182.826 117.23 52.5444 58.5792 -12.3624 79.7972 -63.44 -78.1979 PRESSAVG: 4223000 37.9641 -14.2216 -17.0722 -14.2215 33.7759 -43.2355 -17.0723 -43.2356 -38.457 GPRESSAVG: 4223000 36.2586 -12.8846 -15.4074 -16.0094 34.9261 -43.8746 -17.8598 -44.5493 -37.2159 TIMING: 4223000 CPU: 12548.8, 0.00293947/step Wall: 12548.8, 0.00293947/step, 0.634435 hours remaining, 207.253906 MB of memory in use. ENERGY: 4223000 739.7511 2083.9140 1931.6076 106.7525 -205957.7136 17762.6673 0.0000 0.0000 34203.8662 -149129.1550 298.7109 -183333.0211 -149034.2810 299.0922 24.2713 52.3582 557936.5162 11.0943 11.3230 PRESSURE: 4223200 205.074 6.66782 -97.0371 6.66965 -193.854 35.711 -97.0374 35.7127 -48.8053 GPRESSURE: 4223200 242.755 -104.291 -130.621 69.7775 -110.579 38.0875 -93.7694 -4.44101 -64.3884 PRESSAVG: 4223200 89.441 19.0128 50.6356 19.0127 -43.5857 27.8053 50.6356 27.8052 -2.3699 GPRESSAVG: 4223200 89.8774 18.29 51.4002 19.2159 -42.9924 27.8528 48.8922 28.4906 -3.63207 TIMING: 4223200 CPU: 12549.4, 0.00295387/step Wall: 12549.4, 0.00295387/step, 0.637378 hours remaining, 207.253906 MB of memory in use. ENERGY: 4223200 758.2502 2095.8001 1938.3671 101.5974 -206126.9126 17844.7969 0.0000 0.0000 34284.7530 -149103.3479 299.4173 -183388.1009 -149011.3722 299.6631 -12.5284 22.5959 558091.3466 14.4951 14.4176 PRESSURE: 4223400 284.318 -51.5948 -35.0508 -51.593 0.148356 -77.4675 -35.0511 -77.467 -229.823 GPRESSURE: 4223400 316.858 -30.2364 -30.3053 -60.0236 52.3463 -62.9452 25.1406 -124.875 -215.309 PRESSAVG: 4223400 19.9874 -39.0811 38.9475 -39.0812 4.16388 73.8956 38.9475 73.8957 -7.27399 GPRESSAVG: 4223400 21.2418 -37.1394 38.2731 -39.2225 3.57711 72.3385 41.3515 76.2941 -7.49388 TIMING: 4223400 CPU: 12550, 0.00292871/step Wall: 12550, 0.00292871/step, 0.631789 hours remaining, 207.253906 MB of memory in use. ENERGY: 4223400 729.9608 2107.8344 1948.3120 104.3053 -205961.9007 17707.8316 0.0000 0.0000 34238.4518 -149125.2048 299.0129 -183363.6566 -149036.6072 299.6925 18.2144 51.2983 558567.6580 5.6258 5.7750 PRESSURE: 4223600 -292.944 48.9799 36.877 48.9787 137.285 42.2152 36.8764 42.2167 -114.904 GPRESSURE: 4223600 -242.166 42.3446 -3.72847 -57.044 149.633 92.8402 84.001 23.9841 -67.6775 PRESSAVG: 4223600 29.2206 -19.2032 -3.90613 -19.2032 -48.9809 -2.65934 -3.90615 -2.65934 -2.38863 GPRESSAVG: 4223600 29.9088 -19.4528 -5.47965 -18.8422 -49.8459 -1.31471 -4.84483 -4.57163 -2.18436 TIMING: 4223600 CPU: 12550.6, 0.00294817/step Wall: 12550.6, 0.00294817/step, 0.635822 hours remaining, 207.253906 MB of memory in use. ENERGY: 4223600 767.6151 2024.2903 1957.4108 126.8927 -206222.4817 17814.8421 0.0000 0.0000 34319.4824 -149211.9484 299.7206 -183531.4308 -149115.0896 299.2299 -90.1879 -53.4037 557882.5759 -7.3830 -7.3738 PRESSURE: 4223800 -39.7519 -48.6016 49.2883 -48.6004 -260.162 29.4904 49.2875 29.4907 -139.877 GPRESSURE: 4223800 24.1141 -97.0838 93.9689 -51.8145 -185.85 51.1794 20.1424 25.8441 -169.208 PRESSAVG: 4223800 -28.9046 15.5302 2.94421 15.5302 -9.63097 34.5917 2.94431 34.5917 -5.25406 GPRESSAVG: 4223800 -29.1501 17.7343 3.33477 14.9453 -10.4286 33.8695 3.92302 34.7289 -4.61613 TIMING: 4223800 CPU: 12551.1, 0.00293462/step Wall: 12551.1, 0.00293462/step, 0.632736 hours remaining, 207.253906 MB of memory in use. ENERGY: 4223800 761.7966 2082.7334 1936.4750 111.4929 -206032.3000 17697.2757 0.0000 0.0000 34244.4132 -149198.1132 299.0650 -183442.5264 -149108.6318 299.4384 -146.5970 -110.3146 558753.1556 -14.5965 -14.7316 PRESSURE: 4224000 -100.755 -111.424 -64.8873 -111.424 -161.298 -157.091 -64.8866 -157.089 -41.3463 GPRESSURE: 4224000 -26.0567 -211.364 -64.9964 -82.043 -183.697 -162.785 -72.416 -129.761 2.13847 PRESSAVG: 4224000 91.195 -25.3357 -27.5754 -25.3357 -42.3348 59.9924 -27.5754 59.9925 17.9154 GPRESSAVG: 4224000 91.0345 -27.0629 -25.9668 -26.0634 -41.9334 59.5821 -29.1177 62.0269 17.7061 TIMING: 4224000 CPU: 12551.7, 0.00293666/step Wall: 12551.7, 0.00293666/step, 0.633014 hours remaining, 207.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4224000 731.7656 2070.8300 1935.9832 115.8892 -206192.9081 17686.5948 0.0000 0.0000 34439.1922 -149212.6531 300.7660 -183651.8453 -149113.9185 298.8273 -101.1331 -69.2051 557995.1444 22.2585 22.2690 PRESSURE: 4224200 -169.848 -70.105 -38.673 -70.1051 31.3053 70.0235 -38.6743 70.0231 52.0462 GPRESSURE: 4224200 -99.3625 -27.8146 -34.0242 -110.814 11.0945 132.955 -32.9043 51.1197 109.344 PRESSAVG: 4224200 9.75171 -25.0078 -43.9543 -25.0078 -4.92882 8.56599 -43.9543 8.56591 -42.5818 GPRESSAVG: 4224200 9.43681 -28.3829 -43.3286 -24.0798 -5.21565 10.5803 -44.8786 7.52464 -41.8677 TIMING: 4224200 CPU: 12552.3, 0.00295702/step Wall: 12552.3, 0.00295702/step, 0.637237 hours remaining, 207.253906 MB of memory in use. ENERGY: 4224200 739.3830 2111.2418 1936.7825 116.7886 -206220.8977 17914.1943 0.0000 0.0000 34353.7308 -149048.7766 300.0197 -183402.5074 -148946.9169 300.0681 -28.8323 7.0253 557699.5181 -12.5863 -12.5489 LDB: ============= START OF LOAD BALANCING ============== 12555.9 LDB: ============== END OF LOAD BALANCING =============== 12555.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12555.9 LDB: ============= START OF LOAD BALANCING ============== 12556.2 LDB: Largest compute 4809 load 0.023967 is 20.3% of average load 0.118242 LDB: Average compute 0.001735 is 1.5% of average load 0.118242 LDB: TIME 12556.2 LOAD: AVG 0.118242 MAX 0.198378 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 12556.2 LOAD: AVG 0.118242 MAX 0.198378 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: TIME 12556.2 LOAD: AVG 0.118242 MAX 0.198378 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: ============== END OF LOAD BALANCING =============== 12556.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12556.2 PRESSURE: 4224400 -302.37 -186.33 88.9402 -186.329 -345.742 -14.894 88.9398 -14.8932 -305.315 GPRESSURE: 4224400 -301.666 -210.109 -3.9758 -204.125 -265.937 -75.1867 168.521 -31.2085 -287.972 PRESSAVG: 4224400 -25.5684 -43.842 7.82307 -43.8421 30.3409 -10.0603 7.82299 -10.0603 18.9287 GPRESSAVG: 4224400 -25.884 -41.2545 5.75715 -41.5749 31.757 -9.34005 7.64732 -9.2677 17.9432 TIMING: 4224400 CPU: 12552.9, 0.00301551/step Wall: 12552.9, 0.00301551/step, 0.649674 hours remaining, 208.281250 MB of memory in use. ENERGY: 4224400 753.0515 2121.2604 1934.0458 113.5783 -205659.2313 17329.5195 0.0000 0.0000 34217.4588 -149190.3170 298.8296 -183407.7758 -149090.6202 300.3626 -317.8090 -285.1919 558664.0999 7.9004 7.9387 PRESSURE: 4224600 268.412 81.4176 -200.217 81.4195 -128.401 69.9728 -200.217 69.9739 -121.024 GPRESSURE: 4224600 279.758 163.878 -162.677 12.5536 -54.0267 206.949 -231.559 31.5755 -112.905 PRESSAVG: 4224600 45.8358 -12.8394 -60.3075 -12.8394 -11.9553 -15.1346 -60.3075 -15.1345 -44.5675 GPRESSAVG: 4224600 46.9004 -11.6681 -60.2524 -15.2085 -12.0762 -15.0134 -59.4137 -16.5679 -46.0024 TIMING: 4224600 CPU: 12553.5, 0.0029277/step Wall: 12553.5, 0.0029277/step, 0.630594 hours remaining, 208.281250 MB of memory in use. ENERGY: 4224600 759.5618 2090.3249 1941.9829 120.9589 -206410.8018 17935.7263 0.0000 0.0000 34260.9619 -149301.2852 299.2095 -183562.2471 -149208.6879 299.3360 6.3290 37.6088 557975.3987 -3.5623 -3.7261 PRESSURE: 4224800 -42.3756 15.5078 38.878 15.5088 -123.243 -10.9339 38.878 -10.9318 172.612 GPRESSURE: 4224800 -5.63022 -31.3033 4.49049 59.7201 -113.297 2.34057 21.0287 -28.996 221.811 PRESSAVG: 4224800 6.50205 18.4764 -58.2166 18.4764 -3.63512 19.3214 -58.2166 19.3215 15.2286 GPRESSAVG: 4224800 6.02455 17.0093 -59.4212 19.7063 -4.82459 17.2569 -57.2213 21.056 16.7421 TIMING: 4224800 CPU: 12554.1, 0.00296553/step Wall: 12554.1, 0.00296553/step, 0.638577 hours remaining, 208.539062 MB of memory in use. ENERGY: 4224800 733.1642 2104.8181 1961.9579 109.2566 -206205.2955 17760.6224 0.0000 0.0000 34342.3497 -149193.1266 299.9203 -183535.4763 -149089.0853 299.2117 2.3310 34.2947 557314.2475 6.0318 5.9807 PRESSURE: 4225000 -322.17 -139.807 4.14279 -139.807 -193.237 114.486 4.14287 114.484 -420.37 GPRESSURE: 4225000 -289.769 -190.532 52.5115 -117.87 -158.788 174.555 -7.39013 116.162 -398.151 PRESSAVG: 4225000 -1.33389 -63.6011 -4.67354 -63.6011 62.646 92.835 -4.67346 92.835 -52.7117 GPRESSAVG: 4225000 -1.50586 -64.9486 -4.43937 -63.6502 62.9345 91.3949 -5.00942 93.1497 -52.8035 TIMING: 4225000 CPU: 12554.7, 0.00295509/step Wall: 12554.7, 0.00295509/step, 0.636164 hours remaining, 208.539062 MB of memory in use. ENERGY: 4225000 757.5657 2164.7333 1921.3283 104.8866 -206192.9287 17582.1387 0.0000 0.0000 34345.2624 -149317.0137 299.9457 -183662.2760 -149226.8190 299.7403 -311.9255 -282.2360 558512.5007 2.8668 2.8751 PRESSURE: 4225200 -217.033 -194.017 54.5983 -194.016 -63.8572 23.0192 54.5984 23.0198 211.336 GPRESSURE: 4225200 -196.991 -77.7163 1.32283 -107.156 -36.9424 116.75 82.511 19.9876 252.557 PRESSAVG: 4225200 -49.849 -56.0784 6.88258 -56.0784 31.6187 32.0525 6.88249 32.0526 -24.2067 GPRESSAVG: 4225200 -49.5445 -52.6858 6.99483 -56.5374 31.0044 35.0365 6.41019 30.6442 -23.4752 TIMING: 4225200 CPU: 12555.3, 0.00295983/step Wall: 12555.3, 0.00295983/step, 0.63702 hours remaining, 208.539062 MB of memory in use. ENERGY: 4225200 734.7906 2130.7859 1965.7079 109.1014 -206391.0763 17742.8251 0.0000 0.0000 34334.3235 -149373.5420 299.8502 -183707.8654 -149278.7965 299.1922 -23.1846 6.2079 558200.9097 -14.1457 -14.0051 PRESSURE: 4225400 0.0584735 65.5277 -121.011 65.5286 -70.1813 73.4056 -121.012 73.4044 -32.1728 GPRESSURE: 4225400 42.8216 25.8733 -78.0086 57.3324 -46.0102 54.4269 -180.314 51.0594 -2.80712 PRESSAVG: 4225400 15.4056 -19.2653 27.4813 -19.2653 -43.5164 41.8022 27.4813 41.8022 48.2768 GPRESSAVG: 4225400 15.0195 -21.4129 29.5728 -19.2268 -43.2003 42.0578 27.1993 42.9046 48.2735 TIMING: 4225400 CPU: 12555.9, 0.00297172/step Wall: 12555.9, 0.00297172/step, 0.639414 hours remaining, 208.539062 MB of memory in use. ENERGY: 4225400 743.3890 2097.5238 1935.4142 114.1957 -205924.1294 17752.9057 0.0000 0.0000 34001.4929 -149279.2081 296.9435 -183280.7009 -149182.0961 298.9998 -34.0986 -1.9986 558322.6366 6.7220 6.6975 PRESSURE: 4225600 116.215 6.41365 108.723 6.41433 -270.269 153.206 108.723 153.207 174.28 GPRESSURE: 4225600 191.801 -0.77664 90.8912 -17.2356 -201.112 137.677 156.433 92.2895 122.412 PRESSAVG: 4225600 41.4128 -0.541778 -3.42935 -0.541731 -25.7797 31.8523 -3.42933 31.8522 -6.02004 GPRESSAVG: 4225600 40.5405 1.97533 -3.64319 -1.5603 -24.9852 31.6188 -3.85269 29.5791 -6.69536 TIMING: 4225600 CPU: 12556.5, 0.00298736/step Wall: 12556.5, 0.00298736/step, 0.642615 hours remaining, 208.539062 MB of memory in use. ENERGY: 4225600 731.2701 2117.7425 1926.9597 116.6255 -206233.2257 17981.8321 0.0000 0.0000 34297.5409 -149061.2549 299.5290 -183358.7958 -148973.7832 299.8395 6.7420 37.7004 557544.0120 3.2043 2.9533 PRESSURE: 4225800 -208.605 -154.929 -37.6262 -154.928 252.721 72.6204 -37.6272 72.6209 181.814 GPRESSURE: 4225800 -204.713 -177.266 -94.388 -77.4147 321.592 51.4685 -169.074 64.2053 219.384 PRESSAVG: 4225800 -52.7355 -16.2505 -15.0792 -16.2505 35.1338 44.3871 -15.0792 44.3871 46.0296 GPRESSAVG: 4225800 -51.3853 -16.7433 -16.7414 -16.2114 34.3842 42.8681 -12.7822 46.0724 45.6205 TIMING: 4225800 CPU: 12557.1, 0.00294719/step Wall: 12557.1, 0.00294719/step, 0.633809 hours remaining, 208.539062 MB of memory in use. ENERGY: 4225800 747.4847 2084.9110 1928.9576 113.1501 -205803.4372 17769.1107 0.0000 0.0000 34243.2441 -148916.5789 299.0548 -183159.8231 -148818.5760 300.5020 75.3097 112.0876 557546.8349 9.4760 9.5398 PRESSURE: 4226000 -40.844 -17.7737 -23.0662 -17.7736 66.3857 32.9414 -23.0675 32.9431 -336.792 GPRESSURE: 4226000 -81.8954 74.3123 31.0865 -183.99 152.206 75.916 -51.3466 -18.5193 -270.912 PRESSAVG: 4226000 -1.87366 28.865 -28.3822 28.865 2.79347 10.8179 -28.3822 10.8179 4.25323 GPRESSAVG: 4226000 -2.95465 28.0857 -26.4293 29.9166 4.09871 11.9076 -28.7894 9.41863 3.94448 TIMING: 4226000 CPU: 12557.7, 0.00293368/step Wall: 12557.7, 0.00293368/step, 0.630741 hours remaining, 208.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4226000 757.6567 2081.8614 1936.3053 113.6562 -205712.7832 17619.1384 0.0000 0.0000 34364.9580 -148839.2073 300.1177 -183204.1652 -148744.6839 301.4720 -103.7500 -66.8671 557769.2792 1.7243 1.6962 PRESSURE: 4226200 -259.095 122.526 2.29012 122.527 -68.0984 30.0479 2.28904 30.047 65.1423 GPRESSURE: 4226200 -213.178 170.224 -29.279 63.3521 -55.736 14.9858 35.4383 5.29225 110.178 PRESSAVG: 4226200 43.7581 -37.3002 -45.6938 -37.3002 -59.162 26.9213 -45.6939 26.9212 -50.8007 GPRESSAVG: 4226200 43.562 -37.4534 -47.5672 -37.7071 -59.8187 25.3693 -46.0319 27.4599 -50.0797 TIMING: 4226200 CPU: 12558.3, 0.00294587/step Wall: 12558.3, 0.00294587/step, 0.633198 hours remaining, 208.539062 MB of memory in use. ENERGY: 4226200 761.1901 2145.4568 1937.9581 132.4051 -205813.4823 17532.5047 0.0000 0.0000 34460.1062 -148843.8612 300.9487 -183303.9674 -148747.3837 300.7111 -87.3505 -52.9121 557054.8631 -22.0682 -22.1121 PRESSURE: 4226400 24.1588 -61.7226 -47.7208 -61.7232 206.765 3.77135 -47.7207 3.77177 32.0146 GPRESSURE: 4226400 101.602 -62.832 -121.239 -40.9254 203.497 55.0193 -13.8631 -19.6893 52.6949 PRESSAVG: 4226400 -11.2467 32.5826 -27.5689 32.5827 -22.3806 -48.3598 -27.5689 -48.3598 65.7735 GPRESSAVG: 4226400 -10.9599 32.468 -27.6338 34.3105 -21.1766 -45.3576 -27.6562 -49.1099 64.6744 TIMING: 4226400 CPU: 12558.8, 0.00293483/step Wall: 12558.8, 0.00293483/step, 0.630662 hours remaining, 208.539062 MB of memory in use. ENERGY: 4226400 747.0490 2113.7840 1958.4375 125.0052 -206342.8377 17987.6215 0.0000 0.0000 34380.3046 -149030.6359 300.2518 -183410.9405 -148934.9279 299.8090 87.6460 119.2648 555774.7874 10.7154 10.8459 PRESSURE: 4226600 159.895 23.2492 118.179 23.2478 -9.85844 -5.80507 118.18 -5.8037 -139.657 GPRESSURE: 4226600 143.677 1.01236 94.4535 102.356 35.3045 67.2466 151.218 -11.515 -78.6424 PRESSAVG: 4226600 20.4088 -4.5369 -4.7867 -4.53686 -11.7701 -67.5203 -4.78669 -67.5202 -10.3848 GPRESSAVG: 4226600 20.8785 -2.96143 -5.42495 -5.9768 -13.342 -68.5689 -4.39676 -66.5218 -9.92735 TIMING: 4226600 CPU: 12559.4, 0.00293843/step Wall: 12559.4, 0.00293843/step, 0.631273 hours remaining, 208.539062 MB of memory in use. ENERGY: 4226600 736.0058 2108.2697 1910.7575 110.7931 -205977.5720 17759.1745 0.0000 0.0000 34363.4991 -148989.0724 300.1050 -183352.5715 -148886.0251 300.1566 3.4599 33.4463 557563.8136 -0.5820 -0.7970 PRESSURE: 4226800 -8.50595 -71.9447 -110.418 -71.9439 150.217 166.284 -110.419 166.283 139.058 GPRESSURE: 4226800 33.3448 -92.9188 -192.25 -86.6895 146.742 94.2438 -53.8401 131.995 202.795 PRESSAVG: 4226800 -7.06366 4.11595 17.0761 4.11601 -36.4611 5.79891 17.076 5.79893 34.1494 GPRESSAVG: 4226800 -8.47185 4.13082 17.9047 2.65603 -35.6877 5.07265 16.6619 6.21886 34.7169 TIMING: 4226800 CPU: 12560, 0.00294766/step Wall: 12560, 0.00294766/step, 0.633092 hours remaining, 208.539062 MB of memory in use. ENERGY: 4226800 712.7754 2152.9503 1940.7941 99.4535 -206190.2313 17920.2530 0.0000 0.0000 34377.1499 -148986.8551 300.2242 -183364.0049 -148880.6902 300.1174 93.5900 127.6274 557051.4872 -3.1251 -3.1475 PRESSURE: 4227000 -352.472 39.8329 86.7926 39.833 8.91894 76.5392 86.7921 76.5404 287.902 GPRESSURE: 4227000 -294.432 39.6139 59.5617 -32.8859 20.4938 108.184 24.3425 63.2563 303.499 PRESSAVG: 4227000 32.1884 13.1277 -7.95522 13.1277 -23.2226 7.00177 -7.95523 7.0016 15.3809 GPRESSAVG: 4227000 32.9953 11.6889 -9.38215 14.8736 -23.7928 7.33305 -7.21821 7.98977 15.2959 TIMING: 4227000 CPU: 12560.6, 0.0030032/step Wall: 12560.6, 0.0030032/step, 0.644854 hours remaining, 208.539062 MB of memory in use. ENERGY: 4227000 750.3627 2100.0023 1966.4131 112.4187 -206026.1638 17719.0040 0.0000 0.0000 34360.8408 -149017.1222 300.0818 -183377.9630 -148916.8570 299.6328 -18.5504 9.8535 558117.3468 8.1156 8.1661 PRESSURE: 4227200 -316.578 -83.7988 3.86562 -83.7978 -178.814 124.302 3.86517 124.303 41.6414 GPRESSURE: 4227200 -281.479 -9.01929 6.67124 -111.308 -119.951 169.727 21.6481 104.202 56.1525 PRESSAVG: 4227200 -58.1153 27.4925 9.2236 27.4924 48.3005 34.0232 9.22355 34.0232 29.9844 GPRESSAVG: 4227200 -56.7255 27.3869 8.26855 27.9789 47.1766 32.6969 10.7437 30.9981 30.3037 TIMING: 4227200 CPU: 12561.2, 0.0029455/step Wall: 12561.2, 0.0029455/step, 0.6323 hours remaining, 208.539062 MB of memory in use. ENERGY: 4227200 738.6770 2141.2158 1924.5523 117.3316 -205979.4771 17636.5656 0.0000 0.0000 34380.1117 -149041.0231 300.2501 -183421.1349 -148942.7165 299.8581 -151.2500 -115.0926 557175.0701 6.7232 6.9183 PRESSURE: 4227400 88.4702 -19.891 150.468 -19.8916 -371.831 -91.8101 150.467 -91.8111 -155.14 GPRESSURE: 4227400 104.376 -47.6072 137.454 9.55657 -254.18 -48.3244 114.344 -48.0788 -182.353 PRESSAVG: 4227400 -42.5196 30.5638 -30.9923 30.5637 -33.4376 25.8011 -30.9923 25.8012 78.9252 GPRESSAVG: 4227400 -42.8257 31.371 -31.8135 29.9821 -32.4057 25.9194 -33.2252 28.0716 78.6341 TIMING: 4227400 CPU: 12561.8, 0.0029593/step Wall: 12561.8, 0.0029593/step, 0.635098 hours remaining, 208.539062 MB of memory in use. ENERGY: 4227400 803.1934 2113.4948 1944.6793 133.3060 -206125.0779 17716.7145 0.0000 0.0000 34388.5357 -149025.1543 300.3236 -183413.6899 -148924.3910 299.7003 -146.1668 -110.7188 557709.5810 0.9894 1.1342 PRESSURE: 4227600 -42.9883 111.807 -102.619 111.806 -286.261 -28.3944 -102.621 -28.3935 -142.257 GPRESSURE: 4227600 -1.40611 94.0448 -109.452 79.5092 -262.661 6.66847 -126.299 -16.4033 -107.638 PRESSAVG: 4227600 43.1735 2.2251 30.3136 2.22508 -22.0043 5.53709 30.3134 5.53709 -2.60683 GPRESSAVG: 4227600 42.5475 2.10782 32.9564 2.11981 -21.4803 6.93753 30.4367 3.58054 -3.78742 TIMING: 4227600 CPU: 12562.4, 0.00296859/step Wall: 12562.4, 0.00296859/step, 0.636927 hours remaining, 208.539062 MB of memory in use. ENERGY: 4227600 770.8475 2117.2502 1939.1326 97.1912 -205663.7452 17460.3587 0.0000 0.0000 34320.9432 -148958.0217 299.7333 -183278.9649 -148862.9268 299.7856 -157.1686 -123.9015 558167.4399 6.1875 5.7599 PRESSURE: 4227800 317.528 -44.7755 -61.9615 -44.7763 61.4967 12.0444 -61.962 12.0434 170.439 GPRESSURE: 4227800 314.941 -24.1021 -66.981 -22.3314 116.748 6.2878 -83.5766 129.041 210.202 PRESSAVG: 4227800 15.4255 -4.3572 18.8013 -4.35723 -50.0328 4.66068 18.8012 4.6606 5.67019 GPRESSAVG: 4227800 15.1236 -2.98499 18.4292 -4.66591 -51.2862 3.41234 19.0578 6.75017 6.75309 TIMING: 4227800 CPU: 12563, 0.00293868/step Wall: 12563, 0.00293868/step, 0.630346 hours remaining, 208.539062 MB of memory in use. ENERGY: 4227800 704.3478 2183.7401 1930.7860 121.2984 -206097.3540 17939.8140 0.0000 0.0000 34304.2527 -148913.1150 299.5876 -183217.3678 -148823.5936 300.5298 183.1545 213.9638 556510.5203 -9.6457 -9.8032 PRESSURE: 4228000 -27.4042 -147.362 159.004 -147.361 77.0682 20.779 159.005 20.7781 171.872 GPRESSURE: 4228000 -17.8017 -184.893 134.438 -166.029 114.648 74.6557 142.422 33.2804 216.588 PRESSAVG: 4228000 0.579692 -11.8161 23.9292 -11.8161 -47.6612 73.5515 23.9292 73.5515 -11.267 GPRESSAVG: 4228000 -0.329588 -15.287 23.3406 -8.93627 -45.3589 75.3257 24.034 73.0685 -12.6423 TIMING: 4228000 CPU: 12563.6, 0.00295184/step Wall: 12563.6, 0.00295184/step, 0.633005 hours remaining, 208.539062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4228000 747.4156 2065.8300 1918.3877 110.7151 -206174.6336 17851.6967 0.0000 0.0000 34509.8060 -148970.7825 301.3827 -183480.5885 -148871.5713 300.6577 73.8454 104.4781 556520.6289 -19.4495 -19.4436 PRESSURE: 4228200 -124.995 -81.6238 87.6172 -81.6244 -269.95 22.8261 87.6182 22.827 70.9 GPRESSURE: 4228200 -86.3965 -54.2491 129.634 -116.888 -224.316 -35.0939 85.022 52.5433 80.3324 PRESSAVG: 4228200 10.2587 -27.4697 11.897 -27.4698 -59.0518 12.8906 11.8971 12.8906 59.6812 GPRESSAVG: 4228200 9.67652 -24.6253 13.8867 -30.5512 -60.4194 10.8944 11.8593 14.9703 61.5138 TIMING: 4228200 CPU: 12564.2, 0.00293282/step Wall: 12564.2, 0.00293282/step, 0.628764 hours remaining, 208.539062 MB of memory in use. ENERGY: 4228200 754.6605 2104.0013 1930.8384 116.8007 -205759.2914 17481.7260 0.0000 0.0000 34510.4026 -148860.8618 301.3879 -183371.2644 -148758.0489 300.1178 -108.0150 -76.7933 556889.6532 3.6294 3.5903 LDB: ============= START OF LOAD BALANCING ============== 12567.7 LDB: ============== END OF LOAD BALANCING =============== 12567.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12567.7 LDB: ============= START OF LOAD BALANCING ============== 12568 LDB: Largest compute 4809 load 0.024112 is 20.4% of average load 0.118297 LDB: Average compute 0.001737 is 1.5% of average load 0.118297 LDB: TIME 12568 LOAD: AVG 0.118297 MAX 0.198077 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.57 MB LDB: TIME 12568 LOAD: AVG 0.118297 MAX 0.198077 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.57 MB LDB: TIME 12568 LOAD: AVG 0.118297 MAX 0.198077 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.57 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12568 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12568 PRESSURE: 4228400 -256.486 -164.999 61.6725 -164.999 -3.65711 -58.4185 61.6727 -58.4197 -137.288 GPRESSURE: 4228400 -266.109 -141.119 112.766 -174.969 31.0037 -1.79438 51.7588 -104.59 -51.7476 PRESSAVG: 4228400 -13.8932 -52.1364 11.8205 -52.1364 -7.26241 -8.25377 11.8205 -8.25374 11.389 GPRESSAVG: 4228400 -12.7376 -52.3158 10.795 -52.1483 -6.16125 -8.77065 13.0894 -9.17857 9.6505 TIMING: 4228400 CPU: 12564.8, 0.00301039/step Wall: 12564.8, 0.00301039/step, 0.645227 hours remaining, 207.765625 MB of memory in use. ENERGY: 4228400 766.4330 2094.5603 1918.9281 110.3448 -205661.5293 17493.0417 0.0000 0.0000 34174.6184 -149103.6030 298.4554 -183278.2214 -149012.7316 300.2317 -132.4772 -95.6177 558648.9698 -3.2555 -3.0828 PRESSURE: 4228600 26.8228 -117.409 39.3912 -117.411 -27.2467 41.6604 39.3919 41.6616 -243.253 GPRESSURE: 4228600 83.0195 -83.2048 109.77 -94.7186 -19.8951 -54.2483 73.3661 1.32784 -204.873 PRESSAVG: 4228600 -67.138 -28.4267 7.50866 -28.4268 61.1382 -13.5822 7.50864 -13.5822 1.91922 GPRESSAVG: 4228600 -68.1508 -30.2314 7.94645 -27.2733 61.5516 -10.3311 5.69919 -16.8868 2.40137 TIMING: 4228600 CPU: 12565.3, 0.00295501/step Wall: 12565.3, 0.00295501/step, 0.633192 hours remaining, 207.964844 MB of memory in use. ENERGY: 4228600 755.5978 2079.7401 1905.8828 116.2860 -206004.3027 17738.0152 0.0000 0.0000 34129.0453 -149279.7355 298.0574 -183408.7808 -149178.3081 299.3284 -81.2256 -47.2494 557404.5391 -1.3602 -1.3993 PRESSURE: 4228800 -105.638 20.011 -227.629 20.012 -196.571 -97.1789 -227.629 -97.1816 -149.388 GPRESSURE: 4228800 -88.7737 29.723 -263.3 76.5464 -176.238 -157.769 -182.881 -80.832 -81.6778 PRESSAVG: 4228800 11.1973 -8.92767 -25.913 -8.92761 70.8251 27.7041 -25.913 27.7041 -62.1193 GPRESSAVG: 4228800 11.777 -8.90812 -26.3763 -9.68451 70.398 24.7006 -25.0323 29.9419 -62.3245 TIMING: 4228800 CPU: 12565.9, 0.00295538/step Wall: 12565.9, 0.00295539/step, 0.633109 hours remaining, 207.964844 MB of memory in use. ENERGY: 4228800 760.2170 2110.9667 1924.0709 119.6645 -205908.6895 17470.5639 0.0000 0.0000 34394.0561 -149129.1504 300.3718 -183523.2065 -149030.3196 299.2654 -150.5325 -115.5630 557117.3034 6.6343 6.6168 PRESSURE: 4229000 151.255 64.5252 -127.752 64.5264 -22.5189 25.2188 -127.752 25.2202 -68.1007 GPRESSURE: 4229000 129.738 -4.28771 -122.902 49.8227 90.2079 -11.1832 -117.898 16.055 -72.8633 PRESSAVG: 4229000 22.8701 2.86578 -29.0493 2.86571 41.5812 -52.5069 -29.0494 -52.507 -3.22534 GPRESSAVG: 4229000 21.4374 3.10874 -30.7836 1.52859 41.5217 -52.7967 -29.3174 -51.5836 -1.77167 TIMING: 4229000 CPU: 12566.5, 0.00294731/step Wall: 12566.5, 0.00294731/step, 0.631215 hours remaining, 207.964844 MB of memory in use. ENERGY: 4229000 745.4125 2097.2346 1924.1519 105.7545 -206104.9317 17958.2580 0.0000 0.0000 34103.8111 -149170.3091 297.8371 -183274.1202 -149076.1901 299.9036 20.2117 49.0277 558962.7705 20.4086 20.3958 PRESSURE: 4229200 -127.023 -155.007 -33.3204 -155.008 -224.331 26.062 -33.3202 26.0617 -249.936 GPRESSURE: 4229200 -91.3983 -110.345 -8.30459 -137.924 -200.597 49.04 -17.9065 -73.8417 -203.403 PRESSAVG: 4229200 27.37 -40.7155 42.0401 -40.7155 -7.52497 -50.7513 42.04 -50.7513 -18.4756 GPRESSAVG: 4229200 27.5873 -39.9421 44.1713 -39.4857 -8.22149 -49.668 40.9108 -51.0345 -17.595 TIMING: 4229200 CPU: 12567.1, 0.0029398/step Wall: 12567.1, 0.0029398/step, 0.629444 hours remaining, 207.964844 MB of memory in use. ENERGY: 4229200 781.5175 2135.7879 1920.8044 113.0800 -206109.5254 17594.4934 0.0000 0.0000 34411.3741 -149152.4681 300.5231 -183563.8422 -149059.0925 299.3334 -200.4303 -165.1328 557577.6542 0.4565 0.5903 PRESSURE: 4229400 204.427 -92.1231 -73.6434 -92.1219 -37.4093 76.09 -73.6431 76.0908 9.35886 GPRESSURE: 4229400 224.151 -149.666 -124.805 -38.2185 -14.3291 50.7618 -47.6601 121.211 75.6684 PRESSAVG: 4229400 47.3816 -6.70773 1.90045 -6.70774 -36.6973 -12.343 1.90054 -12.343 7.51941 GPRESSAVG: 4229400 48.8646 -8.26191 2.82873 -7.08015 -36.9418 -13.241 2.99516 -13.0679 6.11449 TIMING: 4229400 CPU: 12567.7, 0.00292775/step Wall: 12567.7, 0.00292774/step, 0.6267 hours remaining, 207.964844 MB of memory in use. ENERGY: 4229400 781.2335 2152.0594 1913.5011 113.4647 -206355.9863 17900.3465 0.0000 0.0000 34440.3151 -149055.0661 300.7758 -183495.3811 -148956.6719 299.7613 58.7923 95.1636 556938.3395 6.0679 6.0124 PRESSURE: 4229600 -74.5935 -105.305 -93.9706 -105.306 121.241 -10.8338 -93.9704 -10.8336 224.859 GPRESSURE: 4229600 -27.741 -123.337 -151.603 -87.4777 182.508 -36.1878 -81.3538 -35.8316 224.083 PRESSAVG: 4229600 -14.9794 -8.66155 -67.6256 -8.66155 13.3308 5.24169 -67.6256 5.24167 44.0803 GPRESSAVG: 4229600 -16.0123 -6.38809 -69.6543 -9.88253 14.5354 5.8795 -68.6674 6.2295 43.3631 TIMING: 4229600 CPU: 12568.3, 0.00292536/step Wall: 12568.3, 0.00292536/step, 0.626028 hours remaining, 207.964844 MB of memory in use. ENERGY: 4229600 710.2042 2057.4944 1932.1707 110.5420 -206098.4507 17848.0350 0.0000 0.0000 34294.2647 -149145.7395 299.5003 -183440.0042 -149047.4306 299.7960 90.5021 126.2835 556453.3151 14.1439 13.9621 PRESSURE: 4229800 148.705 67.0165 42.0033 67.0159 -333.853 64.2968 42.0032 64.2974 154.412 GPRESSURE: 4229800 145.498 88.4422 49.6229 25.7088 -241.586 -1.2084 -9.71288 37.7939 181.366 PRESSAVG: 4229800 -31.949 2.94398 -27.2598 2.94399 -50.0544 -48.3168 -27.2598 -48.3169 34.9697 GPRESSAVG: 4229800 -31.8993 2.47121 -28.2458 3.47317 -50.7283 -49.1515 -27.1724 -49.2062 35.3771 TIMING: 4229800 CPU: 12568.9, 0.00294209/step Wall: 12568.9, 0.00294208/step, 0.629443 hours remaining, 207.964844 MB of memory in use. ENERGY: 4229800 758.7020 2106.8315 1912.8468 120.5801 -206185.2280 17777.8070 0.0000 0.0000 34344.1554 -149164.3053 299.9361 -183508.4607 -149070.8061 299.4380 -10.2455 28.4259 556122.4001 -15.6779 -15.7502 PRESSURE: 4230000 -64.5325 113.91 82.6556 113.909 -58.6661 -14.7153 82.6555 -14.7142 -268.271 GPRESSURE: 4230000 -8.90241 251.739 116.186 90.6197 4.68623 65.3357 96.0676 -68.7858 -295.561 PRESSAVG: 4230000 26.2832 -2.15276 0.904423 -2.1529 -10.3947 4.29449 0.904382 4.29455 -11.2319 GPRESSAVG: 4230000 27.3444 -3.85966 2.43376 0.805358 -10.4517 7.2782 -0.22819 2.54305 -11.5408 TIMING: 4230000 CPU: 12569.5, 0.00295346/step Wall: 12569.5, 0.00295346/step, 0.631713 hours remaining, 207.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4230000 741.1658 2091.2479 1921.2267 117.3489 -206061.6239 17628.3236 0.0000 0.0000 34437.5389 -149124.7721 300.7516 -183562.3110 -149029.4954 299.9899 -130.4897 -99.9256 557320.9665 1.5522 1.7840 PRESSURE: 4230200 195.083 -205.777 106.53 -205.777 -233.552 110.487 106.53 110.487 -150.246 GPRESSURE: 4230200 157.591 -160.94 75.8914 -264.881 -172.504 74.418 146.528 67.5705 -85.1275 PRESSAVG: 4230200 37.3325 1.95843 60.3891 1.95842 -42.2174 19.6562 60.3891 19.6561 -14.9438 GPRESSAVG: 4230200 36.0775 3.82774 60.405 -1.31761 -40.9618 17.9315 62.0774 21.0569 -14.1261 TIMING: 4230200 CPU: 12570.1, 0.00298909/step Wall: 12570.1, 0.00298909/step, 0.639167 hours remaining, 207.964844 MB of memory in use. ENERGY: 4230200 746.6570 2079.5277 1920.7172 130.4977 -206067.2773 17682.4132 0.0000 0.0000 34427.9780 -149079.4866 300.6681 -183507.4645 -148986.5304 299.6211 -62.9052 -33.3467 557019.0084 -6.6096 -6.3368 PRESSURE: 4230400 -183.601 -123.768 -14.3281 -123.769 -144.563 -144.946 -14.3286 -144.946 -149.577 GPRESSURE: 4230400 -183.103 -64.2208 -26.8179 -140.095 -62.2218 -86.8337 43.053 -124.822 -141.566 PRESSAVG: 4230400 1.52202 -64.7334 59.4036 -64.7334 -17.9918 -11.5663 59.4036 -11.5661 0.919673 GPRESSAVG: 4230400 1.46954 -65.7088 59.9026 -64.1908 -17.9505 -12.3162 58.8946 -9.22229 1.18538 TIMING: 4230400 CPU: 12570.7, 0.00298988/step Wall: 12570.7, 0.00298988/step, 0.639171 hours remaining, 207.964844 MB of memory in use. ENERGY: 4230400 706.5223 2091.4879 1919.6715 106.4564 -206042.0223 17685.7788 0.0000 0.0000 34131.9659 -149400.1395 298.0829 -183532.1054 -149310.4287 299.1167 -159.2468 -128.9636 557800.7277 -5.1834 -5.0985 PRESSURE: 4230600 168.076 135.063 62.5391 135.063 -119.067 5.61475 62.5393 5.61582 -303.364 GPRESSURE: 4230600 207.838 160.967 -21.912 54.0441 -113.82 78.1943 56.937 -78.8572 -247.64 PRESSAVG: 4230600 55.6047 -16.4265 50.5193 -16.4264 25.9322 6.34331 50.5193 6.34324 -61.3653 GPRESSAVG: 4230600 55.8367 -15.0759 50.1911 -17.7064 25.1101 7.4022 49.345 5.2341 -60.9932 TIMING: 4230600 CPU: 12571.3, 0.00294759/step Wall: 12571.3, 0.00294759/step, 0.629967 hours remaining, 207.964844 MB of memory in use. ENERGY: 4230600 699.9936 2059.7316 1925.5840 115.8929 -206283.8629 17563.8195 0.0000 0.0000 34483.9997 -149434.8415 301.1573 -183918.8412 -149344.4996 298.2924 -84.7850 -51.2075 556851.6889 6.7239 6.6512 PRESSURE: 4230800 61.3297 31.9697 -86.9588 31.969 -69.5138 -33.3 -86.9583 -33.3002 71.2199 GPRESSURE: 4230800 132.001 -13.8163 8.78698 31.5978 -91.7076 -136.746 -177.843 66.1432 122.926 PRESSAVG: 4230800 -11.772 -13.6357 -15.6691 -13.6357 -6.66406 -5.1955 -15.6691 -5.19553 27.2888 GPRESSAVG: 4230800 -11.3768 -14.7367 -16.8004 -12.2856 -6.52651 -5.62073 -15.3139 -5.41895 26.8583 TIMING: 4230800 CPU: 12571.8, 0.00296618/step Wall: 12571.8, 0.00296618/step, 0.633773 hours remaining, 207.964844 MB of memory in use. ENERGY: 4230800 696.9668 2107.0663 1950.4584 117.8349 -206198.3349 17728.8471 0.0000 0.0000 34268.9251 -149328.2365 299.2790 -183597.1616 -149230.0826 298.8455 21.0119 54.4066 556667.3879 2.9509 2.9850 PRESSURE: 4231000 -176.254 9.97591 -122.928 9.97694 -35.3288 -62.3352 -122.928 -62.3345 -425.745 GPRESSURE: 4231000 -139.589 95.297 -51.1588 -91.0179 -43.1076 -92.9813 -119.335 31.9191 -370.338 PRESSAVG: 4231000 14.0484 -70.159 -25.0585 -70.159 -58.1317 7.76378 -25.0585 7.76377 33.3861 GPRESSAVG: 4231000 13.8326 -70.1256 -23.1914 -69.9894 -57.8726 7.7195 -26.356 7.61976 32.8601 TIMING: 4231000 CPU: 12572.4, 0.00297501/step Wall: 12572.4, 0.00297501/step, 0.635496 hours remaining, 207.964844 MB of memory in use. ENERGY: 4231000 765.2489 2117.0021 1966.1640 118.6975 -205989.6942 17556.4648 0.0000 0.0000 34092.6320 -149373.4850 297.7394 -183466.1170 -149273.6804 298.4442 -212.4424 -184.3448 557974.5792 -3.5658 -3.7266 PRESSURE: 4231200 31.9626 -63.272 -45.438 -63.2717 -19.1651 56.3144 -45.4388 56.314 -77.7966 GPRESSURE: 4231200 71.1771 -55.8164 -19.9467 -115.058 28.305 70.5855 -98.361 58.797 -75.2994 PRESSAVG: 4231200 16.5118 -34.1796 -13.9414 -34.1795 9.16991 -4.27662 -13.9413 -4.27666 -26.2963 GPRESSAVG: 4231200 15.3831 -34.7953 -13.9352 -34.6764 9.16096 -6.11503 -13.6373 -4.22627 -25.9648 TIMING: 4231200 CPU: 12573, 0.00294188/step Wall: 12573, 0.00294188/step, 0.628254 hours remaining, 207.964844 MB of memory in use. ENERGY: 4231200 731.5908 2062.9906 1938.4897 114.3205 -206437.3574 17844.2909 0.0000 0.0000 34385.8583 -149359.8165 300.3003 -183745.6748 -149257.1280 299.1269 -21.6664 8.0609 558095.5671 -0.2049 -0.4736 PRESSURE: 4231400 -83.4038 -45.6254 -27.6041 -45.6253 -25.8539 36.3355 -27.6032 36.3351 85.0777 GPRESSURE: 4231400 -73.611 16.5525 44.9637 -51.4715 -6.18597 164.953 41.8706 -71.0812 155.508 PRESSAVG: 4231400 0.253927 -18.5526 -14.5982 -18.5526 2.88886 -7.10578 -14.5982 -7.10574 36.4306 GPRESSAVG: 4231400 0.461529 -18.4302 -16.7018 -16.73 2.62175 -4.21514 -12.5126 -9.37323 36.1852 TIMING: 4231400 CPU: 12573.6, 0.00290652/step Wall: 12573.6, 0.00290652/step, 0.620541 hours remaining, 207.964844 MB of memory in use. ENERGY: 4231400 755.5546 2186.1346 1912.3726 117.8640 -206670.6352 18042.6219 0.0000 0.0000 34258.6619 -149397.4256 299.1894 -183656.0875 -149299.6763 298.7121 -8.0600 25.2371 557609.5997 13.1911 13.0895 PRESSURE: 4231600 -373.59 -35.3385 95.378 -35.3402 43.7376 135.127 95.3782 135.126 -311.832 GPRESSURE: 4231600 -295.69 45.5381 75.2451 -54.9131 57.4822 36.0525 17.6682 139.806 -306.056 PRESSAVG: 4231600 27.6972 26.8096 -60.6475 26.8097 18.3703 4.97984 -60.6475 4.97989 -3.05507 GPRESSAVG: 4231600 28.1808 25.0915 -59.1568 27.5271 17.9753 4.13882 -60.367 6.79517 -2.70497 TIMING: 4231600 CPU: 12574.2, 0.00293632/step Wall: 12574.2, 0.00293632/step, 0.62674 hours remaining, 207.964844 MB of memory in use. ENERGY: 4231600 731.9761 2153.2416 1903.9917 115.5162 -206043.2448 17474.5054 0.0000 0.0000 34447.2297 -149216.7840 300.8362 -183664.0137 -149120.2471 299.0552 -213.8948 -181.4210 557765.5785 14.3375 14.4837 PRESSURE: 4231800 93.6139 120.477 16.0206 120.477 -329.914 1.67181 16.0202 1.67118 35.8599 GPRESSURE: 4231800 128.782 91.3978 -51.1218 183.531 -309.461 38.7964 -38.0662 25.7317 80.5487 PRESSAVG: 4231800 -17.9865 44.3637 -3.66107 44.3637 2.18547 34.8852 -3.66116 34.8851 -36.0088 GPRESSAVG: 4231800 -16.7348 45.0393 -4.90135 42.9267 0.797458 36.2045 -4.28793 33.4132 -35.3782 TIMING: 4231800 CPU: 12574.8, 0.00293988/step Wall: 12574.8, 0.00293988/step, 0.627337 hours remaining, 207.964844 MB of memory in use. ENERGY: 4231800 746.8425 2088.1069 1913.7538 118.1830 -206399.4625 17798.9639 0.0000 0.0000 34479.5755 -149254.0370 301.1187 -183733.6124 -149154.0432 299.8753 -66.8133 -33.3767 557132.8007 -17.2700 -17.1052 PRESSURE: 4232000 -68.1116 -81.1415 29.4491 -81.143 -27.8416 42.3969 29.4497 42.3969 99.4262 GPRESSURE: 4232000 -57.7232 -96.2634 -8.74087 -96.2823 20.6041 24.572 20.3862 53.3781 148.001 PRESSAVG: 4232000 46.0075 -1.11544 -4.41649 -1.11537 -10.6992 11.0198 -4.41651 11.0198 1.37266 GPRESSAVG: 4232000 45.0082 -1.127 -1.39169 -0.388605 -9.27365 10.2084 -6.00239 11.1813 0.747305 TIMING: 4232000 CPU: 12575.4, 0.00293913/step Wall: 12575.4, 0.00293913/step, 0.627015 hours remaining, 207.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4232000 729.9577 2169.5334 1928.2024 114.6779 -206424.6241 17716.8976 0.0000 0.0000 34425.2724 -149340.0827 300.6445 -183765.3551 -149239.0849 299.8899 1.1577 36.9605 557550.1106 12.2270 12.1606 PRESSURE: 4232200 219.605 28.7537 -94.6176 28.7535 212.686 45.304 -94.6182 45.3041 115.287 GPRESSURE: 4232200 246.37 93.0208 -141.67 -15.8031 218.557 44.4326 -44.6195 35.8918 180.023 PRESSAVG: 4232200 24.3929 37.2253 -5.04852 37.2253 54.7149 -3.34504 -5.04853 -3.34503 -34.1282 GPRESSAVG: 4232200 23.2734 39.9382 -8.03861 37.1836 55.4436 -5.31125 -3.43313 -2.5373 -33.9802 TIMING: 4232200 CPU: 12576, 0.00295893/step Wall: 12576, 0.00295893/step, 0.631074 hours remaining, 207.964844 MB of memory in use. ENERGY: 4232200 750.9657 2090.3027 1910.2458 123.9082 -206639.3524 18160.6113 0.0000 0.0000 34262.9415 -149340.3772 299.2268 -183603.3188 -149242.4468 299.2644 182.5262 214.9834 555064.4772 14.9932 14.9122 LDB: ============= START OF LOAD BALANCING ============== 12579.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12579.5 LDB: =============== DONE WITH MIGRATION ================ 12579.5 LDB: ============= START OF LOAD BALANCING ============== 12579.8 LDB: Largest compute 4809 load 0.023693 is 20.0% of average load 0.118280 LDB: Average compute 0.001737 is 1.5% of average load 0.118280 LDB: TIME 12579.8 LOAD: AVG 0.11828 MAX 0.19664 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.023 MB LDB: TIME 12579.8 LOAD: AVG 0.11828 MAX 0.19664 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.023 MB LDB: TIME 12579.8 LOAD: AVG 0.11828 MAX 0.19664 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.023 MB LDB: ============== END OF LOAD BALANCING =============== 12579.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12579.8 PRESSURE: 4232400 142.071 34.9466 -113.94 34.9458 29.2655 -68.3285 -113.942 -68.3277 261.506 GPRESSURE: 4232400 216.554 69.7042 -97.2367 57.5398 98.8305 -98.1505 -83.4833 -32.8831 216.617 PRESSAVG: 4232400 -101.429 61.0483 -17.3273 61.0483 42.8372 -3.53817 -17.3272 -3.53824 60.9071 GPRESSAVG: 4232400 -100.709 60.2446 -16.0413 60.3219 42.5053 -1.97585 -19.6318 -3.49306 61.0055 TIMING: 4232400 CPU: 12576.6, 0.00300844/step Wall: 12576.6, 0.00300844/step, 0.641467 hours remaining, 206.675781 MB of memory in use. ENERGY: 4232400 729.8954 2108.3944 1934.6615 120.6532 -206439.7712 17925.5470 0.0000 0.0000 34369.5115 -149251.1082 300.1575 -183620.6197 -149155.6509 298.9933 144.2808 177.3339 555481.8081 0.7718 0.9340 PRESSURE: 4232600 -246.399 138.353 76.6961 138.353 32.9617 -142.75 76.6947 -142.751 66.9415 GPRESSURE: 4232600 -203.732 150.487 180.452 140.844 48.6916 -131.194 25.3355 -92.1992 104.805 PRESSAVG: 4232600 -53.0098 -17.7327 -9.67795 -17.7326 14.4976 -6.83831 -9.67788 -6.83828 37.5779 GPRESSAVG: 4232600 -52.5579 -18.8438 -8.73716 -16.4697 14.3445 -7.263 -9.90466 -6.46557 37.0811 TIMING: 4232600 CPU: 12577.2, 0.00293524/step Wall: 12577.2, 0.00293524/step, 0.625696 hours remaining, 206.675781 MB of memory in use. ENERGY: 4232600 760.3506 2129.0240 1934.7452 114.2083 -206375.1167 17906.8710 0.0000 0.0000 34114.4095 -149415.5080 297.9296 -183529.9175 -149329.2192 298.6152 -48.8319 -16.7450 556041.0031 -0.3114 -0.3774 PRESSURE: 4232800 -11.4704 -69.2946 -65.5519 -69.2966 91.328 -41.2932 -65.5519 -41.292 71.6764 GPRESSURE: 4232800 -4.13847 -89.8833 -1.86315 -77.2477 160.459 -54.007 -34.3647 -107.909 102.089 PRESSAVG: 4232800 -80.0758 -31.46 14.7648 -31.46 68.1791 -19.775 14.7649 -19.775 45.7306 GPRESSAVG: 4232800 -78.9932 -30.7603 14.0179 -30.7306 66.6442 -20.5351 15.6641 -19.9998 45.8012 TIMING: 4232800 CPU: 12577.7, 0.00294074/step Wall: 12577.7, 0.00294074/step, 0.626705 hours remaining, 206.675781 MB of memory in use. ENERGY: 4232800 722.7831 2174.6771 1924.2213 110.7901 -206231.3053 17705.8650 0.0000 0.0000 34284.3321 -149308.6365 299.4136 -183592.9686 -149217.8652 299.7123 50.5113 86.1367 555395.0658 11.2779 11.1507 PRESSURE: 4233000 -161.297 -12.6454 -62.0135 -12.6451 75.9352 -71.94 -62.0141 -71.9391 156.259 GPRESSURE: 4233000 -64.7203 1.61334 -45.9668 -60.353 63.5978 -57.9224 -109.208 -16.1265 170.419 PRESSAVG: 4233000 -26.7416 -20.0115 24.1089 -20.0115 -7.90087 -12.4139 24.109 -12.4139 39.3163 GPRESSAVG: 4233000 -28.1483 -20.8932 23.3411 -22.7085 -7.068 -11.2882 24.8912 -13.454 39.6231 TIMING: 4233000 CPU: 12578.3, 0.0029313/step Wall: 12578.3, 0.0029313/step, 0.62453 hours remaining, 206.675781 MB of memory in use. ENERGY: 4233000 751.8226 2096.1393 1936.9387 108.8249 -206332.9208 17780.1647 0.0000 0.0000 34292.2905 -149366.7400 299.4831 -183659.0305 -149269.1180 299.3563 23.6325 56.4322 555031.4899 1.5579 1.4689 PRESSURE: 4233200 198.232 -142.502 -227.765 -142.502 127.601 12.9043 -227.765 12.9023 -176.953 GPRESSURE: 4233200 203.712 -140.108 -219.594 -117.195 153.459 -48.7326 -219.189 -12.1856 -111.479 PRESSAVG: 4233200 -80.6188 -55.4688 17.9282 -55.4688 30.4065 17.352 17.9282 17.352 15.0976 GPRESSAVG: 4233200 -80.2255 -55.0678 19.5197 -53.4775 28.5541 17.2346 16.9041 19.1303 16.5033 TIMING: 4233200 CPU: 12578.9, 0.0029392/step Wall: 12578.9, 0.0029392/step, 0.626049 hours remaining, 206.675781 MB of memory in use. ENERGY: 4233200 754.3343 2114.4985 1954.2591 116.4084 -206445.3779 17870.4014 0.0000 0.0000 34328.4000 -149307.0762 299.7985 -183635.4762 -149208.7297 299.1900 49.6270 81.8974 555143.6249 -11.7049 -11.7227 PRESSURE: 4233400 -122.038 160.874 14.0986 160.873 -82.6363 -59.4769 14.098 -59.4798 102.764 GPRESSURE: 4233400 -71.0308 221.751 -39.2185 134.405 -54.9502 -84.364 -24.5554 -7.96664 122.888 PRESSAVG: 4233400 -80.5126 -13.0624 -3.84321 -13.0624 72.2901 52.9614 -3.8432 52.9615 8.14519 GPRESSAVG: 4233400 -80.4035 -13.9435 -4.55213 -14.9233 73.4998 52.7985 -3.91035 51.7593 6.21691 TIMING: 4233400 CPU: 12579.5, 0.0029367/step Wall: 12579.5, 0.0029367/step, 0.625353 hours remaining, 206.675781 MB of memory in use. ENERGY: 4233400 717.3551 2148.3940 1927.0207 118.6353 -205996.9184 17756.9058 0.0000 0.0000 34148.2705 -149180.3369 298.2253 -183328.6074 -149083.3721 299.4234 -33.9701 -1.0308 558017.0791 -0.0258 -0.2289 PRESSURE: 4233600 -86.6512 -35.6626 -104.241 -35.6596 49.2504 14.2615 -104.24 14.262 70.3193 GPRESSURE: 4233600 -60.2519 -21.1402 -86.7063 28.9525 105.018 -1.81155 -107.632 31.6144 88.5404 PRESSAVG: 4233600 -52.2856 -9.91902 -22.5687 -9.91897 101.579 44.9169 -22.5686 44.917 -18.7861 GPRESSAVG: 4233600 -53.6766 -9.1544 -24.1029 -8.05663 102.931 45.2259 -19.8054 45.5238 -18.7453 TIMING: 4233600 CPU: 12580.1, 0.00294039/step Wall: 12580.1, 0.00294039/step, 0.625975 hours remaining, 206.675781 MB of memory in use. ENERGY: 4233600 736.3990 2197.2059 1925.6007 110.4127 -206262.8746 17813.6663 0.0000 0.0000 34429.9222 -149049.6678 300.6851 -183479.5900 -148949.9810 299.1070 10.9728 44.4355 556230.6808 10.1693 10.1699 PRESSURE: 4233800 -263.729 114.155 152.19 114.155 -240.471 -0.451979 152.19 -0.45158 -371.802 GPRESSURE: 4233800 -256.055 78.1007 172.056 68.1326 -240.81 14.7528 112.67 -133.033 -277.08 PRESSAVG: 4233800 45.3075 51.6935 0.3095 51.6935 -17.233 65.2659 0.309525 65.2659 21.5062 GPRESSAVG: 4233800 47.4871 53.273 1.63937 50.3179 -17.6473 63.8058 -2.15323 64.3247 20.145 TIMING: 4233800 CPU: 12580.7, 0.00291568/step Wall: 12580.7, 0.00291568/step, 0.620554 hours remaining, 206.675781 MB of memory in use. ENERGY: 4233800 752.0829 2051.1373 1943.3699 122.5779 -205700.2129 17418.8575 0.0000 0.0000 34298.2307 -149113.9567 299.5350 -183412.1873 -149010.8485 299.4311 -292.0007 -257.9817 558769.1509 16.5269 16.6616 PRESSURE: 4234000 -27.6224 -44.4821 114.904 -44.4826 20.6181 113.397 114.903 113.396 -44.1803 GPRESSURE: 4234000 42.843 39.8033 78.4496 -33.7964 17.6233 42.1908 101.79 162.484 -3.53655 PRESSAVG: 4234000 9.49218 -18.3635 47.8622 -18.3634 -6.98585 66.4842 47.8622 66.484 18.3044 GPRESSAVG: 4234000 8.29976 -18.8704 47.9647 -18.2864 -7.09023 65.7246 48.7662 67.0316 19.1809 TIMING: 4234000 CPU: 12581.3, 0.0029304/step Wall: 12581.3, 0.0029304/step, 0.623523 hours remaining, 206.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4234000 755.1722 2062.7923 1947.8983 100.3428 -205696.3140 17734.0291 0.0000 0.0000 34215.9465 -148880.1327 298.8164 -183096.0791 -148787.8957 299.8722 -17.0615 18.9766 559102.6278 6.9369 6.7968 PRESSURE: 4234200 -5.74426 -24.0316 -28.3116 -24.0309 -27.8949 -64.8807 -28.3114 -64.8819 -260.908 GPRESSURE: 4234200 -12.2316 -78.8332 -34.4444 148.65 16.3101 38.9998 -3.88712 -160.093 -194.883 PRESSAVG: 4234200 -29.423 6.97614 5.31191 6.9761 -3.17772 33.0515 5.31186 33.0515 -6.73498 GPRESSAVG: 4234200 -31.0388 4.82528 5.09821 9.69609 -2.58556 36.1855 5.01816 31.5024 -6.04001 TIMING: 4234200 CPU: 12581.8, 0.00293691/step Wall: 12581.8, 0.00293691/step, 0.624746 hours remaining, 206.675781 MB of memory in use. ENERGY: 4234200 773.4663 2054.3796 1919.8080 118.9340 -205738.1917 17763.8648 0.0000 0.0000 34189.0839 -148918.6552 298.5818 -183107.7391 -148823.6877 299.9930 -98.1824 -63.6015 559428.5196 -13.1119 -13.2215 PRESSURE: 4234400 34.2826 105.451 -91.1077 105.45 131.53 -250.281 -91.106 -250.281 -70.3175 GPRESSURE: 4234400 90.4665 64.9114 -116.608 108.947 175.638 -256.201 -10.6666 -255.476 -78.4612 PRESSAVG: 4234400 -27.9634 44.1982 -31.9703 44.1983 5.4632 3.48093 -31.9703 3.48094 -1.73982 GPRESSAVG: 4234400 -25.7266 46.215 -32.9064 41.689 3.83324 2.39912 -31.3151 5.19619 -2.39769 TIMING: 4234400 CPU: 12582.4, 0.00291097/step Wall: 12582.4, 0.00291097/step, 0.619065 hours remaining, 206.675781 MB of memory in use. ENERGY: 4234400 722.7603 2102.0792 1939.4386 118.4809 -206103.6745 17936.4842 0.0000 0.0000 34218.7919 -149065.6394 298.8412 -183284.4313 -148970.4214 299.7945 31.8316 62.5479 557155.2390 -8.0800 -8.0970 PRESSURE: 4234600 -234.882 -132.503 31.2743 -132.503 -215.248 29.4403 31.2746 29.4427 -200.056 GPRESSURE: 4234600 -164.924 -102.983 8.00664 -218.164 -148.822 63.6206 54.174 23.5388 -249.053 PRESSAVG: 4234600 40.3129 34.9628 4.075 34.9628 43.1045 -0.344727 4.07497 -0.344611 -106.173 GPRESSAVG: 4234600 39.5372 32.1805 5.24645 37.2349 43.8308 -1.55654 4.09488 0.0641273 -106.344 TIMING: 4234600 CPU: 12583, 0.00293524/step Wall: 12583, 0.00293524/step, 0.624065 hours remaining, 206.675781 MB of memory in use. ENERGY: 4234600 715.0553 2029.3986 1966.4225 116.9587 -205656.9516 17482.6363 0.0000 0.0000 34253.0363 -149093.4439 299.1403 -183346.4802 -148992.5143 299.2834 -216.7287 -187.5997 558249.2489 -7.5851 -7.6585 PRESSURE: 4234800 274.418 -72.5419 68.1908 -72.5413 -122.664 22.0785 68.1896 22.0793 184.464 GPRESSURE: 4234800 271.66 -123.003 35.6823 0.566918 -78.9888 -4.02127 33.2766 -3.40666 243.081 PRESSAVG: 4234800 13.0084 -28.9679 -0.400154 -28.9679 -54.5777 0.693467 -0.40018 0.693458 37.0848 GPRESSAVG: 4234800 13.9424 -27.8454 -1.07001 -28.252 -55.4293 1.20076 -1.38257 0.0540501 36.1283 TIMING: 4234800 CPU: 12583.6, 0.00292416/step Wall: 12583.6, 0.00292416/step, 0.621547 hours remaining, 206.675781 MB of memory in use. ENERGY: 4234800 720.4755 2093.3254 1951.1741 116.2377 -206256.9916 17906.9634 0.0000 0.0000 34397.7287 -149071.0867 300.4039 -183468.8154 -148972.0772 300.2223 112.0726 145.2509 556269.7874 -1.4948 -1.7862 PRESSURE: 4235000 93.9046 -120.913 -35.7868 -120.912 83.4811 19.4391 -35.7873 19.4379 -76.3903 GPRESSURE: 4235000 124.739 -143.702 4.55032 -124.404 143.245 33.847 12.7814 116.164 -62.5634 PRESSAVG: 4235000 -12.7195 4.83427 24.4766 4.83429 2.32006 11.8755 24.4766 11.8756 11.2148 GPRESSAVG: 4235000 -13.55 5.24155 25.1114 2.64933 2.56247 10.7494 23.1412 13.1232 11.47 TIMING: 4235000 CPU: 12584.2, 0.00294121/step Wall: 12584.2, 0.00294121/step, 0.625007 hours remaining, 206.675781 MB of memory in use. ENERGY: 4235000 737.6997 2113.5355 1925.1625 119.3540 -205932.0756 17873.5591 0.0000 0.0000 34183.0699 -148979.6949 298.5293 -183162.7648 -148886.5222 299.6359 33.6652 68.4737 558402.6488 0.2718 0.1608 PRESSURE: 4235200 -297.844 -144.217 78.0406 -144.219 0.803057 78.8826 78.04 78.8817 -185.31 GPRESSURE: 4235200 -246.052 -129.868 268.358 -139.611 58.8165 104.531 -46.609 45.2726 -183.118 PRESSAVG: 4235200 -27.3381 8.52843 14.8365 8.52844 -0.577558 -6.7468 14.8365 -6.74683 20.6797 GPRESSAVG: 4235200 -27.2116 10.1377 13.4062 10.1916 -1.18949 -4.99924 16.6285 -8.56365 21.4087 TIMING: 4235200 CPU: 12584.8, 0.00292924/step Wall: 12584.8, 0.00292924/step, 0.622301 hours remaining, 206.675781 MB of memory in use. ENERGY: 4235200 764.1533 2095.7942 1906.6408 114.1295 -205750.1377 17541.4746 0.0000 0.0000 34325.6021 -149002.3432 299.7740 -183327.9453 -148893.9096 300.3447 -160.7838 -123.4512 558622.4166 -2.4120 -2.3308 PRESSURE: 4235400 49.0717 -41.1823 83.8495 -41.1835 262.352 47.3961 83.8496 47.394 77.624 GPRESSURE: 4235400 93.4618 -16.201 84.6164 -127.377 314.896 16.861 71.3456 90.612 78.6104 PRESSAVG: 4235400 -21.9092 36.6256 53.5651 36.6256 13.3096 36.9233 53.5651 36.9233 4.44279 GPRESSAVG: 4235400 -21.5319 34.966 55.0989 36.073 14.044 36.5584 52.9057 37.7199 3.28108 TIMING: 4235400 CPU: 12585.4, 0.00293098/step Wall: 12585.4, 0.00293098/step, 0.622509 hours remaining, 206.675781 MB of memory in use. ENERGY: 4235400 761.0076 2087.7289 1941.6235 118.3879 -206463.6580 18158.6637 0.0000 0.0000 34303.0205 -149093.2258 299.5768 -183396.2464 -149001.6189 299.6104 129.6827 162.3226 557446.1178 -1.3856 -1.4023 PRESSURE: 4235600 -32.4229 -5.1622 -90.748 -5.16389 145.514 83.6058 -90.7483 83.6049 67.5732 GPRESSURE: 4235600 21.5918 -79.0621 -109.395 65.6937 148.819 -5.41659 1.0622 84.8847 106.099 PRESSAVG: 4235600 -56.6648 6.24618 -58.6547 6.24606 31.4137 -32.2652 -58.6547 -32.2652 12.7521 GPRESSAVG: 4235600 -57.1809 5.86637 -60.8672 5.99194 31.0644 -32.2601 -57.9685 -34.7953 14.1734 TIMING: 4235600 CPU: 12585.9, 0.00293254/step Wall: 12585.9, 0.00293254/step, 0.622676 hours remaining, 206.675781 MB of memory in use. ENERGY: 4235600 756.9397 2088.1851 1932.1562 116.8108 -206145.7863 18006.9891 0.0000 0.0000 34130.8295 -149113.8758 298.0730 -183244.7053 -149023.1365 299.2850 60.2215 92.1699 557721.0097 -4.1663 -3.9810 PRESSURE: 4235800 -34.2093 -52.3943 99.1696 -52.3943 -7.98316 -48.4579 99.17 -48.4568 -190.022 GPRESSURE: 4235800 22.4011 10.599 109.042 -118.445 36.3357 2.41426 71.7403 -81.0962 -180.609 PRESSAVG: 4235800 -22.4967 19.5063 -9.62494 19.5062 -13.0647 -38.926 -9.62496 -38.926 18.2927 GPRESSAVG: 4235800 -22.2372 17.3324 -7.14242 19.1157 -12.0809 -37.3798 -11.0759 -39.457 17.297 TIMING: 4235800 CPU: 12586.5, 0.00295945/step Wall: 12586.5, 0.00295945/step, 0.628226 hours remaining, 206.675781 MB of memory in use. ENERGY: 4235800 744.3884 2089.9043 1932.5685 116.3164 -205737.1073 17591.8908 0.0000 0.0000 34255.9566 -149006.0824 299.1658 -183262.0389 -148903.3555 299.6648 -77.4050 -40.6241 557130.7364 -5.7562 -5.6737 PRESSURE: 4236000 -283.888 169.294 -61.3474 169.294 -325.682 314.246 -61.3471 314.244 101.824 GPRESSURE: 4236000 -209.103 107.502 -122.613 144.207 -268.99 287.09 -26.9532 227.789 76.5802 PRESSAVG: 4236000 -3.11758 -18.8253 12.7949 -18.8252 3.99337 -11.2383 12.795 -11.2383 0.427409 GPRESSAVG: 4236000 -4.70142 -16.548 13.6132 -20.4311 3.90119 -10.5922 12.3749 -10.611 1.89158 TIMING: 4236000 CPU: 12587.1, 0.00292771/step Wall: 12587.1, 0.00292771/step, 0.621325 hours remaining, 206.675781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4236000 750.8775 2102.4195 1923.1232 128.9038 -205783.9352 17558.1637 0.0000 0.0000 34396.5638 -148923.8837 300.3937 -183320.4475 -148831.6258 300.0617 -169.2484 -133.8378 558808.4111 0.4344 0.3638 PRESSURE: 4236200 85.2147 73.7777 208.479 73.7769 -269.686 -77.2475 208.48 -77.2481 -123.391 GPRESSURE: 4236200 74.4931 101.712 130.641 29.0579 -214.61 -53.1922 294.981 18.6004 -77.4488 PRESSAVG: 4236200 7.94044 -19.1321 -12.94 -19.1321 -53.7847 26.6404 -12.9401 26.6404 51.2179 GPRESSAVG: 4236200 8.41493 -20.0187 -14.4649 -17.943 -54.341 24.6873 -10.1258 27.7675 50.849 TIMING: 4236200 CPU: 12587.7, 0.00293837/step Wall: 12587.7, 0.00293837/step, 0.623425 hours remaining, 206.675781 MB of memory in use. ENERGY: 4236200 765.6177 2112.7739 1940.5928 137.6114 -205852.9953 17558.4395 0.0000 0.0000 34388.4173 -148949.5427 300.3226 -183337.9600 -148850.0351 300.4072 -102.6207 -72.5219 557524.2705 1.7912 1.6410 LDB: ============= START OF LOAD BALANCING ============== 12591.3 LDB: ============== END OF LOAD BALANCING =============== 12591.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12591.3 LDB: ============= START OF LOAD BALANCING ============== 12591.5 LDB: Largest compute 4809 load 0.023861 is 20.2% of average load 0.118228 LDB: Average compute 0.001734 is 1.5% of average load 0.118228 LDB: TIME 12591.6 LOAD: AVG 0.118228 MAX 0.195217 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.957 MB LDB: TIME 12591.6 LOAD: AVG 0.118228 MAX 0.195217 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.156 MB LDB: TIME 12591.6 LOAD: AVG 0.118228 MAX 0.195217 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.156 MB LDB: ============== END OF LOAD BALANCING =============== 12591.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12591.6 PRESSURE: 4236400 -25.5618 7.06563 112.893 7.0642 -38.8962 7.89691 112.893 7.89624 -5.16675 GPRESSURE: 4236400 -3.74389 8.511 110.756 -64.7114 13.4406 19.5705 74.5127 -85.0276 29.4295 PRESSAVG: 4236400 2.49153 8.6368 3.30695 8.63683 -57.0138 -52.3783 3.30692 -52.3784 0.115288 GPRESSAVG: 4236400 2.02327 9.06718 3.2444 8.05482 -56.9845 -51.973 -0.228606 -50.7643 0.49472 TIMING: 4236400 CPU: 12588.3, 0.00296842/step Wall: 12588.3, 0.00296842/step, 0.629635 hours remaining, 207.957031 MB of memory in use. ENERGY: 4236400 732.5494 2057.6971 1960.2645 122.9870 -205939.1913 17871.8922 0.0000 0.0000 34137.6445 -149056.1566 298.1325 -183193.8010 -148952.4864 299.4170 -23.2082 13.0421 557759.3104 -18.1357 -18.1555 PRESSURE: 4236600 -414.322 -81.5189 219.748 -81.5198 -206.042 11.0762 219.748 11.0755 -10.9284 GPRESSURE: 4236600 -363.568 -23.0436 269.108 -122.279 -220.978 -31.5139 191.621 71.1059 42.9625 PRESSAVG: 4236600 -27.6262 50.7848 35.3559 50.7846 41.4932 6.5669 35.3559 6.56703 38.4697 GPRESSAVG: 4236600 -25.3167 52.7295 33.9728 50.066 40.8226 5.58518 37.6663 5.80567 36.9662 TIMING: 4236600 CPU: 12588.9, 0.00292203/step Wall: 12588.9, 0.00292203/step, 0.619634 hours remaining, 208.156250 MB of memory in use. ENERGY: 4236600 774.1003 2035.6339 1931.3964 111.5727 -205771.3401 17392.3573 0.0000 0.0000 34470.0988 -149056.1806 301.0359 -183526.2795 -148958.3477 299.9117 -210.4307 -180.5280 557925.0279 17.4456 17.4907 PRESSURE: 4236800 22.6764 -9.87732 26.9858 -9.87732 -4.04878 -83.5937 26.9852 -83.5927 97.6352 GPRESSURE: 4236800 14.6336 -28.6137 -74.2143 43.0768 14.8847 -180.974 60.0882 -31.3237 185.009 PRESSAVG: 4236800 -20.3328 -11.0811 -24.78 -11.0811 4.96277 -1.96227 -24.78 -1.96223 55.6274 GPRESSAVG: 4236800 -22.4234 -13.3577 -24.7287 -8.88579 6.84132 -1.64439 -25.2266 -2.87965 56.1822 TIMING: 4236800 CPU: 12589.5, 0.00293613/step Wall: 12589.5, 0.00293613/step, 0.62246 hours remaining, 208.156250 MB of memory in use. ENERGY: 4236800 737.3914 2100.8442 1933.4460 103.9035 -206080.2020 17869.9519 0.0000 0.0000 34404.3516 -148930.3134 300.4618 -183334.6650 -148840.9693 300.0791 38.7543 71.5092 559692.9642 13.4191 13.5334 PRESSURE: 4237000 185.525 -41.0185 -11.3562 -41.0191 225.159 -121.815 -11.3573 -121.815 122.958 GPRESSURE: 4237000 259.413 25.4709 -5.60335 -123.527 239.559 -54.1503 1.98958 -132.975 133.775 PRESSAVG: 4237000 -8.59536 1.46368 5.67803 1.46365 30.3083 -8.17895 5.67802 -8.17886 23.4733 GPRESSAVG: 4237000 -6.86725 1.6971 7.42898 0.67886 28.0068 -10.3762 4.76027 -4.56276 23.6173 TIMING: 4237000 CPU: 12590.1, 0.00292868/step Wall: 12590.1, 0.00292868/step, 0.620718 hours remaining, 208.156250 MB of memory in use. ENERGY: 4237000 737.9332 2079.0510 1931.3434 107.6582 -205997.2841 18088.3295 0.0000 0.0000 34129.6511 -148923.3177 298.0627 -183052.9688 -148837.4692 299.4781 177.8808 210.9158 559382.3445 15.0621 14.9190 PRESSURE: 4237200 -4.27172 -84.5569 182.928 -84.5572 -51.383 -28.1034 182.929 -28.1034 -241.977 GPRESSURE: 4237200 61.9649 -102.737 204.147 -55.0955 -29.0549 39.32 216.633 -17.6625 -231.151 PRESSAVG: 4237200 23.3979 -20.5202 39.7092 -20.5201 33.6297 3.23496 39.7092 3.23493 -62.1506 GPRESSAVG: 4237200 23.0084 -22.2595 38.4653 -19.7063 33.8561 4.16486 40.2102 1.00213 -61.4567 TIMING: 4237200 CPU: 12590.7, 0.0029433/step Wall: 12590.7, 0.0029433/step, 0.623652 hours remaining, 208.156250 MB of memory in use. ENERGY: 4237200 766.8621 2109.9444 1927.5039 108.8951 -205799.1622 17568.0016 0.0000 0.0000 34352.8714 -148965.0837 300.0122 -183317.9552 -148873.5426 300.1767 -99.2106 -66.0803 557596.9693 -1.7077 -1.5307 PRESSURE: 4237400 -100.938 61.4056 246.846 61.4059 -108.908 47.0532 246.848 47.0546 -257.074 GPRESSURE: 4237400 -84.5799 116.625 179.472 -98.0721 -68.8464 94.5988 229.925 -44.3735 -217.142 PRESSAVG: 4237400 10.7374 39.7174 50.9709 39.7175 4.51051 14.5006 50.9711 14.5006 1.98083 GPRESSAVG: 4237400 9.76376 42.9458 52.067 38.7907 4.81395 16.0814 51.506 14.6486 2.40457 TIMING: 4237400 CPU: 12591.2, 0.00294415/step Wall: 12591.2, 0.00294415/step, 0.623669 hours remaining, 208.156250 MB of memory in use. ENERGY: 4237400 731.4906 2167.0788 1942.2610 118.2781 -205701.6472 17566.1621 0.0000 0.0000 34172.5241 -149003.8525 298.4372 -183176.3766 -148905.0941 299.7845 -155.6400 -123.5228 558280.9795 5.7429 5.6608 PRESSURE: 4237600 21.9463 175.988 45.7113 175.988 230.958 107.938 45.7109 107.938 -20.1293 GPRESSURE: 4237600 39.4869 201.048 -38.0022 236.773 239.525 56.1886 26.9445 72.9468 54.2601 PRESSAVG: 4237600 -8.78363 30.6539 37.7154 30.6541 49.9362 -5.60941 37.7154 -5.60934 -21.6835 GPRESSAVG: 4237600 -8.89084 27.6536 36.1673 32.2461 51.061 -4.7144 37.5307 -7.25702 -22.3678 TIMING: 4237600 CPU: 12591.8, 0.0029351/step Wall: 12591.8, 0.0029351/step, 0.62159 hours remaining, 208.156250 MB of memory in use. ENERGY: 4237600 755.8569 2114.3407 1924.1177 132.3699 -206085.7884 17878.3030 0.0000 0.0000 34104.1983 -149176.6019 297.8404 -183280.8003 -149082.4260 299.8648 77.5916 111.0908 557070.9426 6.4897 6.6008 PRESSURE: 4237800 27.471 30.5238 84.1716 30.5247 -207.289 -70.2297 84.1721 -70.2276 -173.531 GPRESSURE: 4237800 89.3458 91.8933 21.1351 -26.1034 -192.093 -82.5065 44.8071 -88.7872 -151.037 PRESSAVG: 4237800 0.455523 28.1377 10.8873 28.1378 59.6753 -36.8032 10.8872 -36.8032 -45.7749 GPRESSAVG: 4237800 0.721574 29.1993 11.4642 26.8518 58.8046 -36.6548 9.95329 -36.4306 -45.2668 TIMING: 4237800 CPU: 12592.4, 0.00292583/step Wall: 12592.4, 0.00292583/step, 0.619464 hours remaining, 208.156250 MB of memory in use. ENERGY: 4237800 759.0454 2138.8671 1936.6188 107.7134 -205862.3520 17564.2908 0.0000 0.0000 34171.3965 -149184.4200 298.4273 -183355.8166 -149083.1392 299.8576 -117.7828 -84.5948 558711.2110 4.7853 4.7531 PRESSURE: 4238000 -212.647 18.0819 53.932 18.082 -37.4135 79.8697 53.9323 79.8693 -282.869 GPRESSURE: 4238000 -185.705 -25.2544 34.4929 41.0208 -26.3888 -4.03061 31.3251 103.742 -229.585 PRESSAVG: 4238000 54.11 46.7783 23.2738 46.7783 -49.3168 0.502863 23.2737 0.502828 -20.7958 GPRESSAVG: 4238000 55.5624 46.4734 23.5023 47.6208 -49.4464 -1.38234 22.9684 3.03982 -21.4103 TIMING: 4238000 CPU: 12593, 0.0029071/step Wall: 12593, 0.0029071/step, 0.615336 hours remaining, 208.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4238000 721.3164 2153.7134 1946.3590 100.4541 -205719.9693 17370.6583 0.0000 0.0000 34219.4944 -149207.9737 298.8474 -183427.4681 -149113.1758 298.4905 -177.6432 -147.2261 556876.1919 -5.3342 -5.0981 PRESSURE: 4238200 -116.955 -52.1945 -1.53591 -52.1929 -22.9439 56.3572 -1.53557 56.3558 95.4492 GPRESSURE: 4238200 -98.253 -16.8221 -13.7071 -72.3452 21.1908 34.1007 -27.9459 99.57 120.411 PRESSAVG: 4238200 -39.1651 16.7806 -31.9844 16.7805 25.8214 -25.0804 -31.9844 -25.0805 33.2407 GPRESSAVG: 4238200 -41.2584 18.8002 -33.5766 16.4318 27.4842 -24.0471 -28.9046 -26.1594 33.2228 TIMING: 4238200 CPU: 12593.6, 0.00290867/step Wall: 12593.6, 0.00290867/step, 0.615506 hours remaining, 208.414062 MB of memory in use. ENERGY: 4238200 776.3261 2096.6105 1934.4125 106.8637 -206043.0974 17706.6489 0.0000 0.0000 34543.5514 -148878.6842 301.6774 -183422.2356 -148785.3589 299.9395 -14.8165 14.4495 556468.9757 6.6323 6.4829 PRESSURE: 4238400 299.21 53.9853 -74.718 53.9859 68.8192 -178.774 -74.7188 -178.774 67.2356 GPRESSURE: 4238400 347.15 16.8536 -111.82 41.8321 93.3666 -127.122 -96.0496 -252.267 106.87 PRESSAVG: 4238400 30.7709 20.6725 11.0165 20.6727 -11.6834 -6.78477 11.0163 -6.78482 25.7327 GPRESSAVG: 4238400 32.05 19.5295 10.5583 19.1003 -12.7538 -6.41257 9.5464 -9.62912 25.6663 TIMING: 4238400 CPU: 12594.2, 0.00293765/step Wall: 12594.2, 0.00293765/step, 0.621476 hours remaining, 208.414062 MB of memory in use. ENERGY: 4238400 764.9308 2074.5071 1948.7692 104.3224 -206448.6047 17981.5658 0.0000 0.0000 34463.2436 -149111.2657 300.9761 -183574.5093 -149012.5592 300.4894 145.0881 182.4622 556109.0217 14.9400 14.9875 PRESSURE: 4238600 -235.301 -248.784 -139.035 -248.785 54.5534 66.1375 -139.036 66.1372 -248.99 GPRESSURE: 4238600 -194.445 -209.078 -268.503 -261.707 48.1888 68.5787 -115.255 -33.7479 -184.059 PRESSAVG: 4238600 31.6045 -1.49263 -7.01909 -1.49252 5.38135 18.4472 -7.0192 18.4472 -17.3212 GPRESSAVG: 4238600 30.7799 -1.00519 -5.9404 0.0286227 5.57111 16.5998 -6.04137 20.2046 -16.4671 TIMING: 4238600 CPU: 12594.8, 0.00293861/step Wall: 12594.8, 0.00293861/step, 0.621517 hours remaining, 208.414062 MB of memory in use. ENERGY: 4238600 747.5349 2066.9779 1924.3319 114.3144 -205742.5406 17458.2564 0.0000 0.0000 34459.3892 -148971.7359 300.9424 -183431.1251 -148877.4749 299.5460 -143.2459 -110.1051 556607.9616 6.5549 6.6279 PRESSURE: 4238800 175.626 115.532 89.0179 115.532 114.957 32.0002 89.0158 31.9996 -189.158 GPRESSURE: 4238800 183.691 37.1308 41.8562 98.7243 140.6 79.7497 -12.3838 41.7249 -127.927 PRESSAVG: 4238800 23.2947 -16.8772 -49.3543 -16.8772 -53.9231 23.5592 -49.3545 23.5592 32.6913 GPRESSAVG: 4238800 23.7916 -15.5903 -49.0453 -18.3154 -53.2848 23.6802 -50.5151 24.7374 31.3794 TIMING: 4238800 CPU: 12595.3, 0.0029315/step Wall: 12595.3, 0.0029315/step, 0.61985 hours remaining, 208.414062 MB of memory in use. ENERGY: 4238800 748.5826 2072.7796 1913.4999 109.7135 -205741.1105 17812.3946 0.0000 0.0000 34342.0610 -148742.0793 299.9178 -183084.1403 -148654.5822 300.3631 33.8084 65.4542 555972.4570 0.6877 0.6287 PRESSURE: 4239000 -48.424 -20.1099 -104.508 -20.1096 -275.206 -88.7321 -104.509 -88.7315 61.5967 GPRESSURE: 4239000 -71.3498 -135.977 -78.3805 -1.68201 -216.635 -90.739 -96.2017 6.90068 106.771 PRESSAVG: 4239000 30.3664 24.8677 15.64 24.8675 2.79914 -2.76431 15.64 -2.76415 -57.5402 GPRESSAVG: 4239000 29.2123 24.9919 14.647 24.1387 1.45465 -1.78199 15.9708 -3.46176 -55.8038 TIMING: 4239000 CPU: 12595.9, 0.00293018/step Wall: 12595.9, 0.00293018/step, 0.619407 hours remaining, 208.414062 MB of memory in use. ENERGY: 4239000 778.0719 2071.4863 1945.7192 107.4846 -205581.2578 17586.1565 0.0000 0.0000 34337.0999 -148755.2394 299.8744 -183092.3393 -148665.2744 300.2283 -87.3443 -60.4047 557211.7819 -8.1249 -8.3790 PRESSURE: 4239200 -335.726 -52.3824 -121.06 -52.3825 -84.025 -95.6057 -121.06 -95.6059 -175.6 GPRESSURE: 4239200 -267.629 -87.234 -165.285 -59.5155 -63.409 -138.783 -92.2714 -80.9122 -160.918 PRESSAVG: 4239200 -79.203 24.1866 -32.7335 24.1866 55.7868 -40.1338 -32.7335 -40.1339 18.9913 GPRESSAVG: 4239200 -78.4943 23.0493 -32.1822 24.6777 56.6342 -41.6233 -32.4847 -40.0167 17.5167 TIMING: 4239200 CPU: 12596.5, 0.0029307/step Wall: 12596.5, 0.0029307/step, 0.619354 hours remaining, 208.414062 MB of memory in use. ENERGY: 4239200 721.6445 2112.1800 1930.8770 123.9624 -205979.9085 17544.3543 0.0000 0.0000 34432.2113 -149114.6790 300.7051 -183546.8903 -149016.4434 300.0005 -198.4501 -163.9854 557062.5038 -1.4749 -1.4478 PRESSURE: 4239400 22.8964 59.4644 -98.7279 59.4655 -243.084 -3.55844 -98.7277 -3.55824 73.3543 GPRESSURE: 4239400 7.34788 118.679 -72.1792 0.836243 -162.358 -36.8161 -97.5605 -21.9685 108.432 PRESSAVG: 4239400 37.5663 25.3355 -23.9168 25.3355 2.01029 -46.2049 -23.9167 -46.2049 -2.43265 GPRESSAVG: 4239400 39.0399 28.5479 -24.8143 23.8061 1.33766 -45.12 -23.9581 -45.4647 -3.22626 TIMING: 4239400 CPU: 12597.1, 0.00296395/step Wall: 12597.1, 0.00296395/step, 0.626217 hours remaining, 208.414062 MB of memory in use. ENERGY: 4239400 745.6815 2070.8201 1944.6416 120.8142 -205878.5043 17511.8055 0.0000 0.0000 34324.0478 -149160.6936 299.7604 -183484.7414 -149068.0171 299.9081 -48.9444 -15.5260 557332.1232 12.3813 12.3838 PRESSURE: 4239600 72.1353 28.79 55.0089 28.7894 -112.409 77.0362 55.0091 77.0369 -13.6135 GPRESSURE: 4239600 49.3146 101.76 63.722 -117.238 -62.9031 46.5378 17.3806 92.9389 67.718 PRESSAVG: 4239600 23.9947 40.5943 -18.5181 40.5942 -16.0904 8.38453 -18.5181 8.38457 15.365 GPRESSAVG: 4239600 22.7181 37.8782 -15.8936 43.7583 -15.6444 8.46938 -21.9993 6.70342 15.8233 TIMING: 4239600 CPU: 12597.7, 0.00294794/step Wall: 12597.7, 0.00294794/step, 0.62267 hours remaining, 208.414062 MB of memory in use. ENERGY: 4239600 735.7440 2111.0791 1928.2461 121.4695 -206513.2475 17907.3603 0.0000 0.0000 34546.0280 -149163.3205 301.6991 -183709.3486 -149062.4558 299.8118 -17.9625 18.0432 556981.6991 7.7564 7.6323 PRESSURE: 4239800 69.2472 -11.7602 349.927 -11.7597 379.027 -161.95 349.929 -161.95 152.646 GPRESSURE: 4239800 155.522 -10.6065 385.862 -109.233 368.537 -234.505 320.218 -155.022 183.564 PRESSAVG: 4239800 18.8593 5.43484 -15.5655 5.43479 29.0443 -15.9508 -15.5655 -15.9509 -25.4148 GPRESSAVG: 4239800 19.261 5.77572 -18.0284 3.63332 29.5219 -17.0408 -13.1278 -13.9394 -26.0811 TIMING: 4239800 CPU: 12598.3, 0.00296073/step Wall: 12598.3, 0.00296074/step, 0.625209 hours remaining, 208.414062 MB of memory in use. ENERGY: 4239800 736.0617 2106.4894 1936.0778 121.1259 -206659.5756 18167.8941 0.0000 0.0000 34474.8129 -149117.1137 301.0771 -183591.9266 -149024.5967 300.2201 200.3068 235.8744 556191.0998 7.4963 7.5673 PRESSURE: 4240000 4.9546 174.65 -208.954 174.651 -162.412 59.2725 -208.954 59.2722 -161.417 GPRESSURE: 4240000 36.3149 163.004 -168.822 161.918 -85.4344 8.39763 -86.7715 17.7855 -177.223 PRESSAVG: 4240000 7.71651 7.60034 -13.328 7.60034 -33.0886 -10.6468 -13.3279 -10.6468 19.0012 GPRESSAVG: 4240000 6.68872 7.03101 -13.3045 9.31003 -32.8172 -11.2542 -12.4145 -11.4059 20.1323 TIMING: 4240000 CPU: 12598.9, 0.00295658/step Wall: 12598.9, 0.00295658/step, 0.624168 hours remaining, 208.414062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4240000 738.4187 2016.2708 1941.6792 103.9583 -205841.0974 17474.6958 0.0000 0.0000 34455.8075 -149110.2670 300.9111 -183566.0745 -149008.3275 299.6710 -106.2915 -75.4475 558210.0254 -2.1236 -1.9987 PRESSURE: 4240200 -73.3547 1.14972 54.6666 1.14887 -174.313 -116.784 54.6663 -116.783 -127.565 GPRESSURE: 4240200 -59.8611 20.5747 24.9066 -25.3351 -157.844 -124.815 47.4923 -7.72274 -61.4786 PRESSAVG: 4240200 32.4009 -30.2448 -4.75666 -30.2447 2.65317 0.482171 -4.75671 0.482133 36.3102 GPRESSAVG: 4240200 33.2819 -30.3651 -4.87657 -30.5706 2.4987 2.12327 -4.19488 0.142892 35.909 TIMING: 4240200 CPU: 12599.5, 0.00295594/step Wall: 12599.5, 0.00295594/step, 0.623868 hours remaining, 208.414062 MB of memory in use. ENERGY: 4240200 716.3105 2097.7677 1963.2481 115.4957 -205785.4042 17569.5351 0.0000 0.0000 34382.2653 -148940.7819 300.2689 -183323.0472 -148842.8050 299.5290 -125.0777 -93.0613 558065.8698 23.7881 23.8965 LDB: ============= START OF LOAD BALANCING ============== 12603 LDB: ============== END OF LOAD BALANCING =============== 12603 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12603 LDB: ============= START OF LOAD BALANCING ============== 12603.3 LDB: Largest compute 4801 load 0.023018 is 19.5% of average load 0.118237 LDB: Average compute 0.001730 is 1.5% of average load 0.118237 LDB: TIME 12603.3 LOAD: AVG 0.118237 MAX 0.197438 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.188 MB LDB: TIME 12603.3 LOAD: AVG 0.118237 MAX 0.197438 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.188 MB LDB: TIME 12603.3 LOAD: AVG 0.118237 MAX 0.197438 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.188 MB LDB: ============== END OF LOAD BALANCING =============== 12603.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12603.3 PRESSURE: 4240400 -81.5875 131.759 200.62 131.759 -58.3391 -33.0651 200.619 -33.0665 126.243 GPRESSURE: 4240400 -92.3975 123.435 164.592 253.082 -66.4712 -54.1052 163.716 54.7471 249.387 PRESSAVG: 4240400 -73.8768 -10.699 -11.3184 -10.6988 -22.091 23.6013 -11.3185 23.6011 32.2417 GPRESSAVG: 4240400 -74.334 -11.3654 -12.908 -9.45846 -21.8698 23.1096 -11.8296 22.8912 32.1898 TIMING: 4240400 CPU: 12600.1, 0.00301084/step Wall: 12600.1, 0.00301084/step, 0.635286 hours remaining, 207.187500 MB of memory in use. ENERGY: 4240400 744.2032 2089.6167 1966.1535 107.6802 -205931.7831 17690.0818 0.0000 0.0000 34620.6354 -148713.4123 302.3506 -183334.0477 -148613.7718 300.6096 -4.5612 30.1728 559113.4827 -21.2421 -21.3380 PRESSURE: 4240600 53.5358 70.1577 -52.564 70.1572 -181.151 19.4406 -52.5638 19.4413 -189.243 GPRESSURE: 4240600 87.8139 131.953 -49.2708 -36.3992 -194.081 122.221 -7.30576 -77.5147 -107.27 PRESSAVG: 4240600 -14.5323 13.1935 -45.1485 13.1934 5.78022 49.4261 -45.1485 49.4262 -13.566 GPRESSAVG: 4240600 -12.378 15.4035 -43.4466 10.1117 3.66491 50.1829 -43.9172 49.0649 -13.4437 TIMING: 4240600 CPU: 12600.7, 0.00294857/step Wall: 12600.7, 0.00294857/step, 0.621984 hours remaining, 207.386719 MB of memory in use. ENERGY: 4240600 738.3168 2092.9542 1957.8812 112.2104 -205892.7381 17570.9611 0.0000 0.0000 34391.8004 -149028.6140 300.3521 -183420.4144 -148926.3675 300.8132 -105.6194 -71.1791 557228.5120 -7.4393 -7.3856 PRESSURE: 4240800 -260.798 -131.408 -207.541 -131.409 35.8204 -100.646 -207.542 -100.645 -246.395 GPRESSURE: 4240800 -243.293 -154.826 -197.066 -114.739 58.3079 -56.8211 -277.035 -190.325 -197.331 PRESSAVG: 4240800 34.9352 -2.28788 -28.1664 -2.28792 2.05269 -41.9398 -28.1663 -41.9397 -3.98933 GPRESSAVG: 4240800 33.74 -2.83828 -26.8549 -0.984133 2.77031 -41.2865 -29.9903 -41.667 -3.28891 TIMING: 4240800 CPU: 12601.2, 0.00294149/step Wall: 12601.2, 0.00294149/step, 0.620327 hours remaining, 207.492188 MB of memory in use. ENERGY: 4240800 765.3128 2147.0761 1968.5461 124.0252 -206003.6453 17647.2026 0.0000 0.0000 34538.6013 -148812.8812 301.6342 -183351.4825 -148712.8717 300.8028 -157.1242 -127.4386 557490.4430 10.9995 11.0738 PRESSURE: 4241000 167.372 -18.9448 -155.893 -18.9451 25.9684 38.4388 -155.893 38.4383 -99.7404 GPRESSURE: 4241000 229.001 11.1455 -75.8391 -151.599 40.6861 77.4922 -154.928 66.8126 -78.9792 PRESSAVG: 4241000 -17.7992 33.3948 -20.6709 33.3948 -22.2745 -60.1791 -20.671 -60.1791 -44.5019 GPRESSAVG: 4241000 -19.3414 33.3445 -21.6706 33.6449 -21.2217 -60.8547 -19.3552 -61.1012 -44.2582 TIMING: 4241000 CPU: 12601.8, 0.00296239/step Wall: 12601.8, 0.00296239/step, 0.62457 hours remaining, 207.492188 MB of memory in use. ENERGY: 4241000 758.3261 2042.2095 1984.7026 106.0046 -205813.1456 17704.6242 0.0000 0.0000 34550.8756 -148666.4029 301.7414 -183217.2786 -148581.0828 301.0956 31.2002 63.5694 556471.7798 -28.1918 -28.2738 PRESSURE: 4241200 1.5739 -203.33 -25.3331 -203.329 13.7458 78.2128 -25.3321 78.2118 134.893 GPRESSURE: 4241200 48.6537 -227.104 -145.587 -187.168 50.3476 -3.66014 52.3433 165.608 141.76 PRESSAVG: 4241200 23.2712 -13.9791 -22.0325 -13.979 -22.1839 -52.3625 -22.0326 -52.3625 7.71457 GPRESSAVG: 4241200 23.9002 -13.2371 -22.9225 -15.1213 -22.1605 -52.6257 -21.6975 -49.4847 6.97852 TIMING: 4241200 CPU: 12602.4, 0.00293823/step Wall: 12602.4, 0.00293823/step, 0.619314 hours remaining, 207.492188 MB of memory in use. ENERGY: 4241200 783.1141 2091.3021 1968.2528 124.7042 -205897.5028 17721.1569 0.0000 0.0000 34547.2887 -148661.6839 301.7101 -183208.9727 -148565.7555 301.2383 50.0709 80.2538 556616.5811 2.9340 2.9061 PRESSURE: 4241400 -35.6428 -13.8066 49.3541 -13.8063 13.4142 -115.313 49.3527 -115.312 -71.3892 GPRESSURE: 4241400 -6.07143 -15.5301 105.956 3.48515 30.8622 -160.36 -31.5727 -45.3419 -20.5093 PRESSAVG: 4241400 -13.5031 18.8372 -18.8493 18.8372 34.5739 -16.7504 -18.8493 -16.7504 8.32969 GPRESSAVG: 4241400 -12.0159 18.4384 -17.4237 19.3801 34.5248 -19.3619 -18.7079 -16.7839 6.78448 TIMING: 4241400 CPU: 12603, 0.00292267/step Wall: 12603, 0.00292267/step, 0.615871 hours remaining, 207.492188 MB of memory in use. ENERGY: 4241400 759.0258 2122.9719 1987.6219 116.5506 -206226.9954 17881.4764 0.0000 0.0000 34385.6601 -148973.6885 300.2985 -183359.3487 -148876.7697 301.0383 -31.2059 1.4271 557966.9700 9.8002 9.7645 PRESSURE: 4241600 101.105 -267.919 18.7312 -267.919 63.4949 -95.2881 18.7303 -95.2888 -102.186 GPRESSURE: 4241600 108.313 -270.555 33.0287 -283.828 139.954 -98.9081 37.9258 -164.117 -87.4353 PRESSAVG: 4241600 -2.96483 -29.5331 -48.8091 -29.5331 22.305 -39.1376 -48.8092 -39.1378 -10.6514 GPRESSAVG: 4241600 -4.28327 -29.9559 -49.5441 -29.5819 22.868 -38.8388 -48.8145 -40.2263 -9.98908 TIMING: 4241600 CPU: 12603.6, 0.00291829/step Wall: 12603.6, 0.00291829/step, 0.614787 hours remaining, 207.492188 MB of memory in use. ENERGY: 4241600 755.6592 2067.5100 1974.1590 113.8604 -205929.5518 17820.5472 0.0000 0.0000 34191.5618 -149006.2541 298.6034 -183197.8159 -148908.6039 300.1177 20.8046 53.6107 557665.5034 2.8963 2.8652 PRESSURE: 4241800 186.154 27.3871 55.373 27.3861 -10.148 76.0429 55.3724 76.0425 -213.447 GPRESSURE: 4241800 194.352 -40.7078 18.6794 43.0401 7.00078 -13.9941 44.6146 15.5523 -145.188 PRESSAVG: 4241800 45.3149 -36.0431 -32.7268 -36.0432 -20.0313 -25.6476 -32.7267 -25.6476 -36.8106 GPRESSAVG: 4241800 44.1758 -38.2927 -31.784 -33.9998 -20.8546 -25.0173 -34.049 -26.5944 -35.1151 TIMING: 4241800 CPU: 12604.2, 0.00292953/step Wall: 12604.2, 0.00292953/step, 0.616991 hours remaining, 207.492188 MB of memory in use. ENERGY: 4241800 754.4486 2072.1747 1963.5212 120.7308 -205846.6225 17586.3587 0.0000 0.0000 34340.1709 -149009.2175 299.9013 -183349.3885 -148905.4790 300.1861 -12.4805 18.7218 557347.7969 -3.8423 -3.9313 PRESSURE: 4242000 111.664 -248.449 -17.9983 -248.45 -105.68 -127.729 -17.9978 -127.73 -388.803 GPRESSURE: 4242000 109.637 -178.609 -67.0659 -158.266 -12.0428 -145.855 -46.5018 -66.0613 -388.543 PRESSAVG: 4242000 50.4346 5.15746 -6.93088 5.1574 -61.1986 -33.0363 -6.93096 -33.0363 -25.2608 GPRESSAVG: 4242000 51.4424 7.67082 -6.93421 2.37694 -62.6719 -31.7743 -7.06468 -32.4289 -24.99 TIMING: 4242000 CPU: 12604.8, 0.00291932/step Wall: 12604.8, 0.00291932/step, 0.614678 hours remaining, 207.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4242000 723.7869 2147.1657 1939.2673 109.4919 -206048.9367 17497.9834 0.0000 0.0000 34327.8622 -149303.3794 299.7938 -183631.2416 -149211.4748 299.8221 -127.6065 -96.9828 556788.4081 -12.0083 -12.0732 PRESSURE: 4242200 141.916 3.05355 -59.3693 3.05245 425.939 -143.308 -59.3693 -143.309 14.9664 GPRESSURE: 4242200 210.865 -11.1733 -17.6105 -40.89 418.019 -121.275 -12.9796 -193.371 46.6145 PRESSAVG: 4242200 80.8364 -4.95337 -16.8523 -4.95338 4.30599 -2.78276 -16.8522 -2.78272 -61.216 GPRESSAVG: 4242200 80.432 -4.73339 -17.087 -5.12235 5.72941 -4.62122 -14.621 -1.79192 -61.5402 TIMING: 4242200 CPU: 12605.4, 0.00294155/step Wall: 12605.4, 0.00294155/step, 0.619196 hours remaining, 207.492188 MB of memory in use. ENERGY: 4242200 702.2043 2125.0407 1948.1359 115.9191 -206443.3521 18114.0146 0.0000 0.0000 34163.7066 -149274.3309 298.3601 -183438.0375 -149184.0373 299.2848 194.2737 225.1664 556777.1421 7.9755 8.2071 PRESSURE: 4242400 -71.5977 -177.697 26.5423 -177.698 -47.4704 193.762 26.544 193.762 99.8011 GPRESSURE: 4242400 -72.3765 -146.214 18.0841 -168.304 -12.4528 215.437 -8.29998 153.348 180.745 PRESSAVG: 4242400 51.4631 -55.8507 -12.5001 -55.8506 29.2721 73.5765 -12.5001 73.5764 -92.8229 GPRESSAVG: 4242400 52.6892 -54.6957 -11.9426 -55.5276 28.4482 73.0832 -14.434 74.238 -92.7979 TIMING: 4242400 CPU: 12605.9, 0.00293622/step Wall: 12605.9, 0.00293622/step, 0.617911 hours remaining, 207.492188 MB of memory in use. ENERGY: 4242400 783.8754 2112.9716 1956.2873 126.1142 -206010.1786 17849.7313 0.0000 0.0000 34099.1712 -149082.0276 297.7965 -183181.1988 -148992.3699 299.2013 -6.4223 31.9720 556097.6629 -4.0292 -3.8868 PRESSURE: 4242600 -148.853 -80.9439 92.5341 -80.9435 140.034 -59.3288 92.5342 -59.3281 -212.458 GPRESSURE: 4242600 -134.81 -127.638 39.521 -15.1698 127.799 -68.4258 205.566 -45.3164 -106.895 PRESSAVG: 4242600 44.0151 -43.6107 -18.445 -43.6107 -43.971 -4.38291 -18.445 -4.38287 13.3323 GPRESSAVG: 4242600 42.9784 -41.7727 -22.1829 -45.2033 -43.4751 -4.10641 -16.3816 -5.14587 14.1515 TIMING: 4242600 CPU: 12606.5, 0.00292356/step Wall: 12606.5, 0.00292356/step, 0.615084 hours remaining, 207.492188 MB of memory in use. ENERGY: 4242600 747.5443 2126.2391 1947.8697 106.2440 -205853.2073 17588.7670 0.0000 0.0000 34300.1244 -149036.4188 299.5515 -183336.5432 -148945.0808 300.1723 -73.7588 -37.9686 557000.4783 4.4588 4.5516 PRESSURE: 4242800 -351.884 57.8555 -53.4329 57.8559 -188.85 40.9577 -53.4321 40.9581 -299.853 GPRESSURE: 4242800 -312.892 115.569 -73.2526 77.7281 -151.363 -43.3568 -31.4282 59.9246 -268.99 PRESSAVG: 4242800 -41.5322 -46.9831 -39.0073 -46.983 81.5733 -3.46031 -39.0072 -3.46051 -12.7339 GPRESSAVG: 4242800 -40.1929 -50.4328 -36.7931 -43.185 81.445 -2.16062 -40.8227 -2.35165 -14.1101 TIMING: 4242800 CPU: 12607.1, 0.00292538/step Wall: 12607.1, 0.00292538/step, 0.615304 hours remaining, 207.492188 MB of memory in use. ENERGY: 4242800 733.0265 2117.4625 1943.0713 113.9086 -205542.8705 17210.1807 0.0000 0.0000 34484.0806 -148941.1403 301.1581 -183425.2209 -148843.0066 300.0064 -280.1957 -244.4151 558620.5959 9.1024 9.0473 PRESSURE: 4243000 101.346 -2.91245 15.6989 -2.91296 213.116 -83.6976 15.6983 -83.697 -114.103 GPRESSURE: 4243000 103.996 -50.3948 0.892019 -0.95147 221.956 -84.6787 -38.2538 -61.8911 -37.6984 PRESSAVG: 4243000 -9.50779 18.0613 2.32779 18.0615 34.1976 8.83576 2.32779 8.83581 -10.9868 GPRESSAVG: 4243000 -10.3122 18.609 1.22463 17.5653 34.7625 7.74929 3.00789 9.41103 -10.1685 TIMING: 4243000 CPU: 12607.7, 0.00291702/step Wall: 12607.7, 0.00291702/step, 0.613384 hours remaining, 207.492188 MB of memory in use. ENERGY: 4243000 731.3044 2096.7328 1929.5571 118.6758 -206037.0116 17762.7771 0.0000 0.0000 34308.3887 -149089.5759 299.6237 -183397.9645 -148979.0254 299.7851 66.7863 96.0844 555534.6296 4.5677 4.7606 PRESSURE: 4243200 -79.0187 91.7906 -153.875 91.7891 122.92 21.6614 -153.875 21.661 79.7757 GPRESSURE: 4243200 -33.5085 109.639 -118.446 95.1739 163.191 -50.8225 -104.932 80.3383 85.5404 PRESSAVG: 4243200 5.5715 6.03621 -28.1827 6.03625 21.027 -0.376626 -28.1826 -0.37665 1.45039 GPRESSAVG: 4243200 7.07303 7.21206 -28.1013 4.86618 20.1687 0.436212 -27.4202 -1.61876 0.861969 TIMING: 4243200 CPU: 12608.3, 0.00291852/step Wall: 12608.3, 0.00291852/step, 0.613537 hours remaining, 207.492188 MB of memory in use. ENERGY: 4243200 748.4487 2114.3461 1950.7878 115.9653 -206171.2271 17815.0109 0.0000 0.0000 34347.5600 -149079.1082 299.9658 -183426.6683 -148981.2043 299.9582 41.2256 71.7410 556750.2142 9.3496 9.3679 PRESSURE: 4243400 278.773 -10.6144 9.81785 -10.615 -110.204 -90.4564 9.81731 -90.4568 128.301 GPRESSURE: 4243400 336.132 -22.9744 33.2727 -36.8247 -44.1076 -125.395 94.5116 -50.5395 99.083 PRESSAVG: 4243400 -14.8336 -0.964214 -29.0484 -0.964158 -18.5096 -0.831066 -29.0484 -0.830944 8.93672 GPRESSAVG: 4243400 -14.5122 -3.73967 -28.8925 -0.992597 -19.1307 -0.517934 -28.4314 -1.78037 9.14879 TIMING: 4243400 CPU: 12608.9, 0.00296359/step Wall: 12608.9, 0.00296359/step, 0.622847 hours remaining, 207.492188 MB of memory in use. ENERGY: 4243400 788.6739 2080.6070 1965.8012 105.4394 -206193.4117 17737.6779 0.0000 0.0000 34564.8970 -148950.3154 301.8638 -183515.2124 -148856.0385 300.2206 98.9566 130.3693 555511.6248 -8.1355 -8.1647 PRESSURE: 4243600 177.137 -150.825 35.4402 -150.826 -235.621 8.38822 35.4391 8.3872 -162.184 GPRESSURE: 4243600 169.11 -195.027 93.0052 -77.9017 -169.246 -12.8837 88.883 89.3951 -107.232 PRESSAVG: 4243600 39.3161 -4.45417 -15.4912 -4.45419 -57.7519 -11.2034 -15.4913 -11.2034 2.21898 GPRESSAVG: 4243600 38.1123 -4.13875 -13.5655 -1.51128 -56.0225 -12.0074 -16.5064 -11.3447 1.94842 TIMING: 4243600 CPU: 12609.5, 0.00295812/step Wall: 12609.5, 0.00295812/step, 0.621535 hours remaining, 207.492188 MB of memory in use. ENERGY: 4243600 737.8513 2097.4752 1934.4814 106.2775 -205978.1919 17633.1163 0.0000 0.0000 34401.6778 -149067.3124 300.4384 -183468.9902 -148968.2911 299.4671 -73.5563 -35.7890 556894.9750 -5.4056 -5.3206 PRESSURE: 4243800 72.8874 185.135 245.052 185.135 -206.228 9.10916 245.052 9.10899 -93.8023 GPRESSURE: 4243800 98.7369 189.297 262.813 171.499 -164.502 -50.1911 223.117 108.251 -66.5685 PRESSAVG: 4243800 -24.3088 16.3553 27.5574 16.3554 -23.8924 -40.6659 27.5574 -40.666 72.8681 GPRESSAVG: 4243800 -25.9944 18.7564 26.5871 14.3149 -24.2039 -40.7755 27.9084 -39.5997 74.3949 TIMING: 4243800 CPU: 12610.1, 0.00294739/step Wall: 12610.1, 0.00294739/step, 0.619116 hours remaining, 207.492188 MB of memory in use. ENERGY: 4243800 775.9908 2068.9174 1958.4680 116.4299 -205812.5679 17437.3141 0.0000 0.0000 34360.8647 -149094.5829 300.0820 -183455.4476 -149002.3102 299.7003 -75.7143 -44.1111 556940.9183 8.2223 8.0655 PRESSURE: 4244000 -162.045 72.7724 64.5254 72.7735 34.0291 3.6661 64.5256 3.66739 -166.268 GPRESSURE: 4244000 -114.449 79.5476 93.101 56.1866 3.22778 61.8707 63.019 44.1088 -90.611 PRESSAVG: 4244000 -10.2023 14.5356 28.35 14.5356 -18.3162 -12.2129 28.3499 -12.2128 38.0357 GPRESSAVG: 4244000 -9.05155 14.5556 28.5467 14.5068 -18.1881 -12.9991 27.2069 -11.9512 36.0727 TIMING: 4244000 CPU: 12610.6, 0.0029258/step Wall: 12610.6, 0.0029258/step, 0.614417 hours remaining, 207.492188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4244000 730.6210 2062.7685 1942.3267 122.6583 -206091.2984 17661.1470 0.0000 0.0000 34058.9626 -149512.8143 297.4454 -183571.7769 -149417.4462 299.4487 -98.0947 -67.2775 556827.0296 3.1724 2.9444 PRESSURE: 4244200 41.4388 -76.6329 -3.0679 -76.6343 142.734 -46.4983 -3.06905 -46.4979 -157.892 GPRESSURE: 4244200 87.3071 -87.2235 -50.1833 -27.2729 207.255 -29.291 -38.8885 -6.78903 -168.449 PRESSAVG: 4244200 46.9947 0.79132 49.9795 0.791343 -51.0068 -5.69989 49.9795 -5.69981 -5.07322 GPRESSAVG: 4244200 47.5657 0.373591 49.8149 0.219808 -52.237 -5.01629 50.596 -6.09168 -5.11041 TIMING: 4244200 CPU: 12611.2, 0.00292558/step Wall: 12611.2, 0.00292558/step, 0.61421 hours remaining, 207.492188 MB of memory in use. ENERGY: 4244200 725.4957 2073.3525 1935.1843 112.0046 -206404.5407 18035.4260 0.0000 0.0000 34086.1694 -149436.9083 297.6830 -183523.0777 -149343.6782 298.3917 8.7602 42.0376 558972.0533 -3.0284 -3.2606 LDB: ============= START OF LOAD BALANCING ============== 12614.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12614.8 LDB: =============== DONE WITH MIGRATION ================ 12614.8 LDB: ============= START OF LOAD BALANCING ============== 12615.1 LDB: Largest compute 4802 load 0.021959 is 18.6% of average load 0.118339 LDB: Average compute 0.001741 is 1.5% of average load 0.118339 LDB: TIME 12615.1 LOAD: AVG 0.118339 MAX 0.196762 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.512 MB LDB: TIME 12615.1 LOAD: AVG 0.118339 MAX 0.196762 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.586 MB LDB: TIME 12615.1 LOAD: AVG 0.118339 MAX 0.196762 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.586 MB LDB: ============== END OF LOAD BALANCING =============== 12615.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12615.1 PRESSURE: 4244400 221.967 13.2994 77.9961 13.3009 -130.326 -105.234 77.9956 -105.232 -10.3305 GPRESSURE: 4244400 159.85 -47.392 112.586 58.7115 -39.6891 -144.934 36.8582 -103.792 56.9215 PRESSAVG: 4244400 85.1913 -37.0397 -3.14389 -37.0397 37.1547 -34.1458 -3.14381 -34.1458 -110.729 GPRESSAVG: 4244400 84.3652 -37.726 -2.70888 -35.2945 37.2628 -34.2219 -4.20072 -31.9555 -109.808 TIMING: 4244400 CPU: 12611.8, 0.00298689/step Wall: 12611.8, 0.00298689/step, 0.626916 hours remaining, 206.804688 MB of memory in use. ENERGY: 4244400 735.7058 2131.0661 1906.5220 109.4936 -206253.7759 17801.7196 0.0000 0.0000 34188.4144 -149380.8544 298.5759 -183569.2688 -149279.1366 298.5533 27.1036 59.0274 558413.2755 3.8724 3.9400 PRESSURE: 4244600 -233.082 42.6255 -58.606 42.6234 -117.76 -129.069 -58.6071 -129.069 -178.315 GPRESSURE: 4244600 -191.806 1.68168 -58.704 65.6861 -118.293 -171.184 -75.5194 -95.9649 -115.889 PRESSAVG: 4244600 0.561164 5.19756 11.8202 5.19758 2.16935 21.7258 11.8201 21.7258 18.8815 GPRESSAVG: 4244600 1.37031 6.43893 11.4261 1.25701 3.20667 21.7041 13.813 18.8695 18.3251 TIMING: 4244600 CPU: 12612.4, 0.00293434/step Wall: 12612.4, 0.00293434/step, 0.615723 hours remaining, 206.804688 MB of memory in use. ENERGY: 4244600 754.9350 2124.6915 1907.5014 113.9455 -206206.0608 17682.1141 0.0000 0.0000 34230.3478 -149392.5255 298.9421 -183622.8734 -149298.1453 299.1719 -176.3855 -141.9962 557806.8117 7.2040 7.6340 PRESSURE: 4244800 -141.697 -18.7046 -12.9411 -18.7046 -206.806 -61.6894 -12.9401 -61.691 -12.5414 GPRESSURE: 4244800 -103.467 -67.1335 63.1792 20.3874 -188.389 -107.199 -23.7299 -77.7801 21.079 PRESSAVG: 4244800 40.771 -31.5928 20.786 -31.5928 -35.5179 -60.4963 20.786 -60.4963 -26.4095 GPRESSAVG: 4244800 39.5604 -32.8488 22.8607 -30.4326 -35.4539 -60.6045 20.2848 -59.9548 -25.2157 TIMING: 4244800 CPU: 12613, 0.00293803/step Wall: 12613, 0.00293803/step, 0.616334 hours remaining, 206.804688 MB of memory in use. ENERGY: 4244800 761.0851 2069.4443 1947.1426 118.1288 -206067.8386 17598.6041 0.0000 0.0000 34439.8260 -149133.6077 300.7716 -183573.4337 -149039.2193 299.4392 -120.3479 -90.2592 557808.8494 -7.0522 -7.0364 PRESSURE: 4245000 80.0961 112.804 35.9246 112.804 129.198 -142.733 35.9251 -142.733 -97.7588 GPRESSURE: 4245000 113.82 158.436 -54.1574 232.471 170.585 -171.761 62.5412 -153.771 -76.5891 PRESSAVG: 4245000 -9.33234 -22.6875 -43.1771 -22.6875 16.5325 -64.5589 -43.1771 -64.5588 -42.6618 GPRESSAVG: 4245000 -7.41106 -22.6778 -45.4667 -19.007 15.6248 -63.6489 -43.2082 -63.0847 -43.1765 TIMING: 4245000 CPU: 12613.6, 0.00294792/step Wall: 12613.6, 0.00294792/step, 0.618245 hours remaining, 206.804688 MB of memory in use. ENERGY: 4245000 742.4216 2134.7772 1931.4000 118.9403 -205911.1484 17663.1034 0.0000 0.0000 34320.9216 -148999.5843 299.7331 -183320.5059 -148914.7278 299.7101 37.1785 69.2720 558120.1233 -11.8205 -11.6542 PRESSURE: 4245200 193.245 29.2611 71.4964 29.2628 -128.432 1.33469 71.4968 1.33519 136.696 GPRESSURE: 4245200 216.765 46.8018 151.66 45.6573 -102.44 -55.6183 31.0739 -28.0043 190.796 PRESSAVG: 4245200 -30.0683 56.9196 18.2209 56.9196 -14.1627 -37.7775 18.2208 -37.7775 2.9619 GPRESSAVG: 4245200 -30.9454 58.1235 18.1341 55.843 -13.5534 -38.9318 18.6454 -36.4705 3.31014 TIMING: 4245200 CPU: 12614.2, 0.0029512/step Wall: 12614.2, 0.0029512/step, 0.618769 hours remaining, 206.804688 MB of memory in use. ENERGY: 4245200 770.4275 2091.0064 1950.4966 107.9353 -206233.5113 17925.8610 0.0000 0.0000 34425.1483 -148962.6360 300.6434 -183387.7843 -148869.1725 299.7973 67.1700 101.7070 557875.4903 -13.7564 -13.7296 PRESSURE: 4245400 169.293 -124.673 -114.092 -124.672 -168.272 -20.1869 -114.093 -20.1871 -259.547 GPRESSURE: 4245400 186.287 -106.616 -118.433 -145.789 -153.904 62.4333 -175.296 -88.5885 -189.421 PRESSAVG: 4245400 -1.52472 -22.5023 74.4287 -22.5023 15.7312 -6.36501 74.4287 -6.36515 -1.70887 GPRESSAVG: 4245400 -1.74408 -21.6446 74.1234 -26.0733 16.4615 -6.05657 74.4297 -10.5236 -1.74825 TIMING: 4245400 CPU: 12614.8, 0.00295287/step Wall: 12614.8, 0.00295287/step, 0.618955 hours remaining, 207.070312 MB of memory in use. ENERGY: 4245400 723.4014 2123.4422 1937.1419 111.9246 -205607.0701 17518.4460 0.0000 0.0000 34075.6638 -149117.0502 297.5912 -183192.7139 -149019.4878 300.2950 -86.1753 -52.3462 557541.6661 4.1659 4.3230 PRESSURE: 4245600 -205.773 12.618 32.6691 12.6178 -266.868 -1.69681 32.669 -1.697 -119.427 GPRESSURE: 4245600 -151.299 -79.5702 15.6322 38.4163 -242.358 -14.786 74.6982 -48.2089 -106.264 PRESSAVG: 4245600 83.0065 -72.7586 -77.3818 -72.7586 -30.7499 27.4519 -77.3818 27.4519 -36.2663 GPRESSAVG: 4245600 83.5383 -73.7907 -76.351 -70.7582 -30.9011 27.941 -77.4878 26.8611 -37.2961 TIMING: 4245600 CPU: 12615.4, 0.00298169/step Wall: 12615.4, 0.00298169/step, 0.62483 hours remaining, 207.070312 MB of memory in use. ENERGY: 4245600 763.1404 2062.2691 1915.0588 109.3063 -205839.7311 17608.0787 0.0000 0.0000 34271.1995 -149110.6782 299.2989 -183381.8777 -149012.3192 300.0890 -197.3562 -166.6404 557816.4599 5.3301 5.1137 PRESSURE: 4245800 -24.4877 8.63061 78.0594 8.6293 -206.068 91.1506 78.0582 91.1529 -151.601 GPRESSURE: 4245800 -13.8097 -22.3208 35.2297 27.78 -113.827 21.1798 173.717 71.8493 -137.039 PRESSAVG: 4245800 -36.0099 -34.7151 60.3942 -34.7152 18.2419 -40.5099 60.3942 -40.5099 -15.9031 GPRESSAVG: 4245800 -36.1293 -34.6207 60.923 -35.5851 18.431 -41.227 59.6286 -38.2442 -15.5787 TIMING: 4245800 CPU: 12616, 0.00296486/step Wall: 12616, 0.00296486/step, 0.621139 hours remaining, 207.214844 MB of memory in use. ENERGY: 4245800 753.9007 2059.9717 1897.7685 122.0353 -205659.4805 17590.6600 0.0000 0.0000 34102.9282 -149132.2161 297.8294 -183235.1443 -149034.5471 299.2843 -127.3857 -88.2250 558505.3292 -11.2237 -11.0923 PRESSURE: 4246000 -125.351 103.966 -140.611 103.966 -244.867 -49.0072 -140.612 -49.009 15.9091 GPRESSURE: 4246000 -111.699 30.8595 -202.079 84.966 -203.291 -82.9208 -100.444 -62.7043 67.017 PRESSAVG: 4246000 63.9974 -38.0507 -16.9896 -38.0507 -38.8699 -27.57 -16.9896 -27.5701 -10.5234 GPRESSAVG: 4246000 63.0186 -37.4695 -18.5519 -37.7366 -38.1424 -25.9979 -16.0145 -29.0014 -9.83728 TIMING: 4246000 CPU: 12616.5, 0.00294899/step Wall: 12616.5, 0.00294899/step, 0.61765 hours remaining, 207.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4246000 753.8188 2102.9445 1902.2946 109.1382 -206222.7113 17721.7836 0.0000 0.0000 34269.8326 -149362.8989 299.2870 -183632.7316 -149274.1882 299.1438 -118.1027 -82.6577 556778.9946 4.8680 5.0130 PRESSURE: 4246200 -188.63 -102.841 138.603 -102.842 305.188 -18.2446 138.602 -18.245 -251.113 GPRESSURE: 4246200 -153.867 -142.262 155.75 -127.559 289.909 -82.0797 124.581 -87.5223 -181.926 PRESSAVG: 4246200 7.04649 3.74363 -57.5964 3.74377 -34.0425 10.5543 -57.5964 10.5542 6.92258 GPRESSAVG: 4246200 7.14477 3.42617 -55.9649 2.31929 -34.1506 9.19043 -59.8973 12.2927 7.64644 TIMING: 4246200 CPU: 12617.1, 0.002922/step Wall: 12617.1, 0.002922/step, 0.611835 hours remaining, 207.214844 MB of memory in use. ENERGY: 4246200 737.3038 2037.1487 1904.1232 113.5942 -205907.3504 17622.5893 0.0000 0.0000 34331.2161 -149161.3752 299.8230 -183492.5913 -149065.0579 299.4239 -44.8515 -15.2945 556641.3294 -6.6912 -6.4531 PRESSURE: 4246400 76.52 84.8859 160.156 84.8853 55.943 72.2343 160.155 72.2347 136.52 GPRESSURE: 4246400 104.727 203.959 106.29 48.0888 92.2152 -34.2357 162.762 20.9827 164.69 PRESSAVG: 4246400 -10.6298 32.3988 10.7357 32.399 -12.4204 54.1444 10.7357 54.1445 11.8124 GPRESSAVG: 4246400 -9.92244 33.0413 11.7993 33.1411 -12.8035 54.6768 13.2206 52.8503 10.9614 TIMING: 4246400 CPU: 12617.7, 0.00294936/step Wall: 12617.7, 0.00294936/step, 0.617399 hours remaining, 207.214844 MB of memory in use. ENERGY: 4246400 707.8001 2100.3579 1901.4284 118.1505 -206226.9066 17784.8084 0.0000 0.0000 34275.6200 -149338.7413 299.3375 -183614.3613 -149246.6328 299.5930 89.6611 120.5441 557613.5312 -3.7459 -3.9215 PRESSURE: 4246600 -193.153 -221.124 154.787 -221.123 -299.869 60.5203 154.787 60.5192 -92.3483 GPRESSURE: 4246600 -208.308 -199.865 106.609 -187.274 -256.145 45.2635 118.593 25.4046 -10.9808 PRESSAVG: 4246600 34.5272 -21.5444 2.49733 -21.5444 -27.6846 -46.1136 2.49728 -46.1136 21.9627 GPRESSAVG: 4246600 35.1353 -20.0273 0.00761198 -23.8653 -28.3704 -48.892 2.86233 -44.9405 21.8756 TIMING: 4246600 CPU: 12618.3, 0.00294999/step Wall: 12618.3, 0.00294999/step, 0.617368 hours remaining, 207.214844 MB of memory in use. ENERGY: 4246600 750.7782 2046.6397 1919.7701 122.1198 -206035.0051 17582.0528 0.0000 0.0000 34452.2620 -149161.3824 300.8802 -183613.6444 -149066.7050 299.8827 -195.1232 -158.4781 558116.3074 9.6018 9.5468 PRESSURE: 4246800 -33.7966 -58.333 53.7394 -58.3352 -134.202 -220.037 53.7401 -220.038 -108.407 GPRESSURE: 4246800 32.3905 -44.9964 49.6327 -23.4135 -182.349 -219.499 116.603 -190.226 -31.2793 PRESSAVG: 4246800 92.2417 -3.77654 -77.2097 -3.77665 -51.915 -39.0827 -77.2099 -39.0827 -72.112 GPRESSAVG: 4246800 91.508 -6.87925 -75.5198 -1.28979 -51.6728 -36.6554 -76.5724 -39.5785 -71.3645 TIMING: 4246800 CPU: 12618.9, 0.00293978/step Wall: 12618.9, 0.00293978/step, 0.615067 hours remaining, 207.214844 MB of memory in use. ENERGY: 4246800 784.6298 2042.9516 1948.2932 116.2935 -206414.2919 17876.5748 0.0000 0.0000 34221.0449 -149424.5040 298.8609 -183645.5490 -149326.5019 298.7775 -92.1355 -60.4125 557489.0407 -10.5951 -10.5098 PRESSURE: 4247000 44.4043 -43.0372 -17.5254 -43.0362 111.549 -162.935 -17.5252 -162.935 -334.75 GPRESSURE: 4247000 55.6305 -110.838 -5.69533 78.8283 120.97 -231.793 -120.631 -82.1305 -259.658 PRESSAVG: 4247000 64.1682 14.8325 19.3378 14.8325 0.429486 7.75051 19.3377 7.75061 -73.6122 GPRESSAVG: 4247000 64.0497 14.8003 18.2985 15.7661 0.057207 8.62348 17.1145 7.69736 -72.9312 TIMING: 4247000 CPU: 12619.5, 0.00293901/step Wall: 12619.5, 0.00293901/step, 0.614744 hours remaining, 207.214844 MB of memory in use. ENERGY: 4247000 713.1198 2082.7177 1960.1075 107.1124 -206003.7499 17780.0610 0.0000 0.0000 34185.0885 -149175.5430 298.5469 -183360.6315 -149074.2621 298.8916 -59.5991 -27.6856 558485.5961 -3.0049 -2.9414 PRESSURE: 4247200 -17.8595 62.6417 -4.20318 62.642 218.279 -7.13789 -4.20421 -7.13741 -66.0879 GPRESSURE: 4247200 -3.52583 75.6071 3.55543 14.0044 268.044 -17.6672 9.06872 90.6387 -36.8109 PRESSAVG: 4247200 31.6334 8.50359 -19.6707 8.50352 -23.0831 30.1479 -19.6707 30.1479 -9.5503 GPRESSAVG: 4247200 32.4951 8.63806 -18.2412 6.0663 -22.1104 28.1296 -19.407 31.054 -11.0616 TIMING: 4247200 CPU: 12620.1, 0.00293506/step Wall: 12620.1, 0.00293506/step, 0.613753 hours remaining, 207.214844 MB of memory in use. ENERGY: 4247200 676.3776 2106.4760 1952.3581 118.8236 -206243.0736 17877.1500 0.0000 0.0000 34248.3758 -149263.5125 299.0996 -183511.8883 -149165.8812 299.3277 44.7773 75.9025 558752.4163 -0.3333 -0.2256 PRESSURE: 4247400 -179.145 2.68207 52.534 2.68181 158.362 64.0612 52.5342 64.0629 0.0373495 GPRESSURE: 4247400 -134.061 -7.75578 148.901 -42.0901 217.133 -11.0711 -33.9125 114.586 -7.54145 PRESSAVG: 4247400 10.6415 8.11761 4.70269 8.1175 -19.0516 -38.6897 4.70275 -38.6898 -21.5359 GPRESSAVG: 4247400 9.82876 10.147 2.61477 10.013 -19.6112 -36.399 6.27715 -40.6474 -20.3266 TIMING: 4247400 CPU: 12620.7, 0.00292798/step Wall: 12620.7, 0.00292798/step, 0.61211 hours remaining, 207.214844 MB of memory in use. ENERGY: 4247400 717.3758 2107.7189 1932.0253 127.9984 -206356.6367 17865.6296 0.0000 0.0000 34240.8782 -149365.0106 299.0341 -183605.8888 -149270.6199 298.6449 -6.9151 25.1771 558389.0561 -9.9820 -10.0364 PRESSURE: 4247600 -195.744 -198.935 9.15275 -198.934 -180.412 -35.5577 9.15308 -35.5575 114.989 GPRESSURE: 4247600 -213.728 -246.268 -26.399 -197.512 -86.259 -43.85 -16.6542 31.8027 145.402 PRESSAVG: 4247600 -30.0602 -12.0187 -9.08311 -12.0186 -33.5411 -10.6611 -9.08314 -10.6612 54.2883 GPRESSAVG: 4247600 -31.2335 -12.8631 -7.27092 -13.303 -32.8172 -11.764 -11.7535 -9.3139 54.1283 TIMING: 4247600 CPU: 12621.2, 0.0029251/step Wall: 12621.2, 0.00292511/step, 0.611347 hours remaining, 207.214844 MB of memory in use. ENERGY: 4247600 726.3965 2078.5599 1968.9205 111.0652 -205962.1003 17591.4836 0.0000 0.0000 34187.0248 -149298.6497 298.5638 -183485.6745 -149205.0223 298.9408 -87.0557 -51.5283 557388.3226 -3.1043 -3.3075 PRESSURE: 4247800 49.5826 -128.881 123.18 -128.882 211.353 87.8961 123.18 87.8953 -51.0736 GPRESSURE: 4247800 63.1175 -150.222 38.578 -134.371 275.731 54.6949 93.5737 109.204 -30.0258 PRESSAVG: 4247800 -34.1549 2.60922 -26.4433 2.6091 30.4082 -33.7947 -26.4433 -33.7947 18.8191 GPRESSAVG: 4247800 -33.7215 0.752791 -28.4941 2.85686 30.1326 -34.8777 -24.3847 -32.6399 18.5426 TIMING: 4247800 CPU: 12621.8, 0.00292396/step Wall: 12621.8, 0.00292396/step, 0.610945 hours remaining, 207.214844 MB of memory in use. ENERGY: 4247800 735.8379 2102.5876 1916.4347 118.1889 -206393.8148 18024.8191 0.0000 0.0000 34245.7481 -149250.1984 299.0766 -183495.9465 -149153.4651 299.2780 69.9541 102.9409 557675.9834 5.0241 4.9846 PRESSURE: 4248000 -71.3498 46.0112 -46.737 46.0104 125.504 -163.595 -46.7377 -163.595 -67.0759 GPRESSURE: 4248000 10.985 67.1343 -38.2996 88.9149 135.472 -38.8724 18.6834 -121.425 -68.6851 PRESSAVG: 4248000 -44.6249 26.8733 -30.6437 26.8735 -53.0924 29.4107 -30.6436 29.4106 4.22657 GPRESSAVG: 4248000 -43.8365 28.6372 -30.1141 27.5307 -53.428 29.335 -29.9583 29.9309 3.54711 TIMING: 4248000 CPU: 12622.4, 0.00293537/step Wall: 12622.4, 0.00293537/step, 0.613166 hours remaining, 207.214844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4248000 746.6136 2054.1410 1935.2217 110.2477 -206270.7715 17765.0593 0.0000 0.0000 34316.3572 -149343.1311 299.6933 -183659.4884 -149248.3543 298.8382 -4.3074 25.9240 556955.5792 -31.1636 -31.2391 PRESSURE: 4248200 -325.911 88.2427 -93.0521 88.2449 -192.304 -70.7899 -93.0502 -70.7885 -133.865 GPRESSURE: 4248200 -331.353 100.993 -64.0047 -20.7577 -122.982 -40.7486 -183.722 -42.3724 -112.411 PRESSAVG: 4248200 39.3505 36.8207 -61.2584 36.8207 -17.9139 -31.2135 -61.2584 -31.2135 -18.3794 GPRESSAVG: 4248200 39.5578 34.3227 -61.6209 37.1283 -17.8973 -30.9241 -61.207 -30.3374 -17.684 TIMING: 4248200 CPU: 12623, 0.00295681/step Wall: 12623, 0.00295681/step, 0.61748 hours remaining, 207.214844 MB of memory in use. ENERGY: 4248200 709.1483 2117.0875 1963.8024 110.3096 -205763.7715 17433.0396 0.0000 0.0000 34214.8714 -149215.5126 298.8070 -183430.3840 -149123.7960 298.7656 -217.3600 -188.9155 558932.4625 1.0191 1.3255 LDB: ============= START OF LOAD BALANCING ============== 12626.6 LDB: ============== END OF LOAD BALANCING =============== 12626.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12626.6 LDB: ============= START OF LOAD BALANCING ============== 12626.8 LDB: Largest compute 4802 load 0.021283 is 18.0% of average load 0.118280 LDB: Average compute 0.001742 is 1.5% of average load 0.118280 LDB: TIME 12626.9 LOAD: AVG 0.11828 MAX 0.197473 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.984 MB LDB: TIME 12626.9 LOAD: AVG 0.11828 MAX 0.197473 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.043 MB LDB: TIME 12626.9 LOAD: AVG 0.11828 MAX 0.197473 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.043 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12626.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12626.9 PRESSURE: 4248400 352.361 62.742 -25.6194 62.7429 -41.5155 144.001 -25.6205 144 -13.1284 GPRESSURE: 4248400 373.7 -37.3444 -81.0335 127.363 -0.836698 135.283 39.2688 141.122 30.9578 PRESSAVG: 4248400 30.5517 -16.1705 -29.9612 -16.1704 -46.7112 -22.8933 -29.9613 -22.8934 -7.07819 GPRESSAVG: 4248400 30.2445 -13.3173 -31.5335 -18.1569 -45.9025 -22.0443 -30.4928 -25.8728 -7.29179 TIMING: 4248400 CPU: 12623.6, 0.00301729/step Wall: 12623.6, 0.00301729/step, 0.629944 hours remaining, 208.285156 MB of memory in use. ENERGY: 4248400 728.0344 2106.3526 1953.0097 114.3321 -206386.5583 17971.2864 0.0000 0.0000 34509.5750 -149003.9681 301.3807 -183513.5431 -148908.0445 299.7171 99.2390 134.6071 557378.2392 -7.7459 -7.6499 PRESSURE: 4248600 -112.026 -173.548 91.6398 -173.548 2.47705 -18.7447 91.6394 -18.7432 -67.6504 GPRESSURE: 4248600 -127.465 -146.245 2.68943 -136.879 71.7559 8.78244 77.6396 -23.3297 -21.2398 PRESSAVG: 4248600 41.4526 -28.5614 -18.8896 -28.5612 -59.2729 17.7294 -18.8896 17.7294 -29.2268 GPRESSAVG: 4248600 43.0181 -30.6398 -16.9398 -26.9737 -59.8795 16.1111 -19.0572 17.6144 -29.5561 TIMING: 4248600 CPU: 12624.2, 0.0029493/step Wall: 12624.2, 0.0029493/step, 0.615584 hours remaining, 208.484375 MB of memory in use. ENERGY: 4248600 784.6365 2072.7860 1929.7092 112.6039 -205973.6264 17740.4588 0.0000 0.0000 34134.7563 -149198.6757 298.1073 -183333.4320 -149102.9843 300.2611 -59.0663 -25.6497 557819.7931 -15.6824 -15.4725 PRESSURE: 4248800 -21.4191 -47.1344 -64.1302 -47.1347 -24.9425 3.23078 -64.1309 3.2296 107.247 GPRESSURE: 4248800 101.2 18.4745 -91.6514 -189.921 -48.9423 87.9934 -56.2898 -61.5735 105.197 PRESSAVG: 4248800 15.6222 -26.402 -21.3251 -26.402 -39.9154 -8.07338 -21.3252 -8.0734 41.7443 GPRESSAVG: 4248800 15.201 -23.7753 -21.1557 -28.9513 -39.807 -6.34969 -21.6012 -7.69153 42.1699 TIMING: 4248800 CPU: 12624.8, 0.00294209/step Wall: 12624.8, 0.00294209/step, 0.613916 hours remaining, 208.742188 MB of memory in use. ENERGY: 4248800 767.4864 2134.0691 1943.2372 123.1446 -205984.5522 17756.5128 0.0000 0.0000 34102.6752 -149157.4269 297.8271 -183260.1021 -149064.4080 299.8541 20.2950 52.4849 556725.0318 5.8170 5.8547 PRESSURE: 4249000 -27.7014 -64.8388 99.4604 -64.8386 -53.2636 75.8297 99.4611 75.8301 13.8032 GPRESSURE: 4249000 4.21431 -39.9605 47.8999 -72.287 -29.4808 -16.3283 191.416 53.6955 53.6329 PRESSAVG: 4249000 17.2763 4.16873 -25.5913 4.16879 26.8982 1.87061 -25.5914 1.87059 -8.84216 GPRESSAVG: 4249000 16.962 2.47257 -25.4547 7.18188 26.6382 3.0907 -26.6324 1.25864 -8.76296 TIMING: 4249000 CPU: 12625.4, 0.00293605/step Wall: 12625.4, 0.00293605/step, 0.612492 hours remaining, 208.742188 MB of memory in use. ENERGY: 4249000 739.6639 2123.1648 1916.0561 126.7695 -205924.3075 17770.2586 0.0000 0.0000 34239.3459 -149009.0487 299.0207 -183248.3946 -148917.6410 299.6944 -22.3873 9.4555 559017.0274 11.7775 11.6124 PRESSURE: 4249200 217.669 74.0025 20.1599 74.0026 231.245 -202.316 20.1589 -202.315 78.7231 GPRESSURE: 4249200 215.712 43.1963 41.7151 122.012 283.354 -173.976 20.6222 -230.564 121.959 PRESSAVG: 4249200 -2.88148 23.9781 -7.95943 23.9781 37.4568 -45.129 -7.9595 -45.129 -11.8305 GPRESSAVG: 4249200 -2.5368 24.5268 -8.99102 23.5222 37.9396 -44.2248 -6.048 -44.725 -12.1277 TIMING: 4249200 CPU: 12626, 0.0029433/step Wall: 12626, 0.0029433/step, 0.613841 hours remaining, 208.742188 MB of memory in use. ENERGY: 4249200 721.8111 2165.3282 1959.1084 113.7131 -206419.4359 18010.5980 0.0000 0.0000 34326.5578 -149122.3193 299.7824 -183448.8771 -149023.9200 299.4692 175.8788 207.0083 556111.3774 7.5816 7.7583 PRESSURE: 4249400 182.827 -257.005 94.642 -257.008 87.1762 -8.70697 94.6419 -8.70721 -117.225 GPRESSURE: 4249400 234.904 -175.865 57.4906 -267.351 76.2597 -51.6755 82.093 66.4303 -59.1064 PRESSAVG: 4249400 31.6266 -42.5972 6.39798 -42.5973 4.56963 10.2037 6.398 10.2037 -79.5158 GPRESSAVG: 4249400 32.5791 -43.4462 7.67272 -40.9208 3.34316 7.79908 5.20234 11.696 -79.6948 TIMING: 4249400 CPU: 12626.6, 0.00294607/step Wall: 12626.6, 0.00294607/step, 0.614256 hours remaining, 208.742188 MB of memory in use. ENERGY: 4249400 775.4283 2125.6727 1893.5048 120.2523 -206071.5250 17788.0738 0.0000 0.0000 34428.7118 -148939.8813 300.6745 -183368.5931 -148845.1812 299.9112 50.9260 84.0189 557661.7561 -14.4399 -14.5908 PRESSURE: 4249600 193.794 9.29938 -77.0824 9.29806 -142.995 -77.2114 -77.0819 -77.2104 121.765 GPRESSURE: 4249600 218.083 51.7154 -101.118 -2.59612 -70.3072 -86.2907 -43.3983 -45.5905 131.737 PRESSAVG: 4249600 49.9755 -47.6483 -32.9409 -47.6483 -9.01121 -0.888495 -32.941 -0.888541 -31.793 GPRESSAVG: 4249600 47.9731 -47.1683 -33.0405 -46.9636 -7.9323 0.785932 -34.6475 -4.19655 -30.9426 TIMING: 4249600 CPU: 12627.1, 0.00293392/step Wall: 12627.1, 0.00293392/step, 0.611559 hours remaining, 208.742188 MB of memory in use. ENERGY: 4249600 769.8070 2154.1450 1923.1019 123.6364 -205979.4849 17826.6205 0.0000 0.0000 34224.3266 -148957.8474 298.8896 -183182.1741 -148864.8863 300.4461 57.5215 93.1709 556408.5322 3.0571 3.0327 PRESSURE: 4249800 -96.9791 -63.7832 -138.236 -63.7845 232.662 45.8632 -138.238 45.8625 86.7475 GPRESSURE: 4249800 -24.0563 -95.1804 -142.174 -46.7144 249.759 36.9385 -151.084 50.4373 101.716 PRESSAVG: 4249800 14.8621 -21.9158 30.1034 -21.9157 9.54889 -27.3252 30.1033 -27.3252 3.25701 GPRESSAVG: 4249800 16.131 -23.3213 29.1412 -23.3659 9.49162 -28.7093 33.2729 -24.2162 2.85558 TIMING: 4249800 CPU: 12627.7, 0.00293791/step Wall: 12627.7, 0.00293791/step, 0.612227 hours remaining, 208.742188 MB of memory in use. ENERGY: 4249800 739.3650 2079.7495 1938.9871 110.4273 -205943.9605 17822.1253 0.0000 0.0000 34266.2869 -148987.0194 299.2560 -183253.3063 -148887.3630 299.5105 74.1435 109.1396 557192.4712 9.2227 9.4927 PRESSURE: 4250000 -49.5208 -168.111 -30.709 -168.11 82.0394 -28.1077 -30.7084 -28.1077 177.32 GPRESSURE: 4250000 -28.3144 -187.336 24.2699 -98.4324 76.5874 27.7719 9.18651 -72.1932 252.945 PRESSAVG: 4250000 -33.2551 -15.6054 21.7386 -15.6053 -57.8558 -32.2769 21.7386 -32.2771 103.42 GPRESSAVG: 4250000 -32.03 -16.1312 23.596 -14.4837 -58.903 -32.6097 20.3036 -30.3368 103.788 TIMING: 4250000 CPU: 12628.3, 0.00294409/step Wall: 12628.3, 0.00294409/step, 0.613352 hours remaining, 208.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4250000 747.4304 2138.5751 1948.4416 121.6395 -206285.0191 18113.0562 0.0000 0.0000 34296.5156 -148919.3607 299.5200 -183215.8763 -148826.0767 299.8859 69.9461 100.4059 559281.9392 4.1029 4.2851 PRESSURE: 4250200 -373.372 11.4114 112.118 11.4113 18.9405 79.8821 112.119 79.8809 -81.401 GPRESSURE: 4250200 -343.609 -30.6692 92.9609 4.5224 20.4166 -6.81233 68.0026 66.0546 -34.9018 PRESSAVG: 4250200 -47.5033 -24.5578 15.3543 -24.5577 1.63029 -70.4661 15.3544 -70.4661 78.0916 GPRESSAVG: 4250200 -47.9816 -20.7813 14.2918 -26.9756 2.26534 -69.1804 14.6793 -74.1959 78.3416 TIMING: 4250200 CPU: 12628.9, 0.00294744/step Wall: 12628.9, 0.00294744/step, 0.613886 hours remaining, 208.742188 MB of memory in use. ENERGY: 4250200 751.9258 2117.0017 1954.3695 114.6207 -205540.2672 17416.9006 0.0000 0.0000 34349.9084 -148835.5405 299.9863 -183185.4489 -148737.2026 299.6075 -145.2775 -119.3649 558005.7028 10.7395 10.8751 PRESSURE: 4250400 154.17 -80.8773 -73.5266 -80.8773 -75.3635 -16.228 -73.5272 -16.2286 185.713 GPRESSURE: 4250400 197.115 -127.751 -22.9311 -154.121 -25.3255 53.26 -113.454 11.0503 192.247 PRESSAVG: 4250400 20.2033 -70.1795 6.22977 -70.1795 -17.9006 17.8296 6.22964 17.8297 15.0317 GPRESSAVG: 4250400 19.4804 -74.4813 6.19222 -68.1357 -18.0521 17.7781 6.09672 18.6771 15.1574 TIMING: 4250400 CPU: 12629.5, 0.00292344/step Wall: 12629.5, 0.00292344/step, 0.608726 hours remaining, 208.742188 MB of memory in use. ENERGY: 4250400 742.0546 2113.1724 1945.1038 114.1652 -205824.1133 17713.1087 0.0000 0.0000 34400.2163 -148796.2923 300.4256 -183196.5086 -148705.4182 300.0266 88.1730 121.3453 558030.9497 5.7781 5.5286 PRESSURE: 4250600 21.5507 81.7201 -79.3197 81.7212 177.031 83.7658 -79.3209 83.7665 33.5352 GPRESSURE: 4250600 26.3891 162.219 -150.354 -27.5625 215.141 27.3324 8.31347 176.604 86.0525 PRESSAVG: 4250600 29.0762 9.8292 -18.7858 9.82936 1.14838 -26.5897 -18.7857 -26.5894 -17.5923 GPRESSAVG: 4250600 30.4137 11.7059 -19.9512 8.1409 0.99807 -26.8605 -17.7617 -26.173 -18.4833 TIMING: 4250600 CPU: 12630.1, 0.00290239/step Wall: 12630.1, 0.00290239/step, 0.60418 hours remaining, 208.769531 MB of memory in use. ENERGY: 4250600 744.1756 2165.0011 1968.7681 113.6436 -206034.6306 17855.9208 0.0000 0.0000 34369.0117 -148818.1096 300.1531 -183187.1213 -148730.1416 299.9330 77.3723 109.1941 558198.6722 4.2108 4.3095 PRESSURE: 4250800 91.3711 -51.9288 -186.645 -51.9297 52.8135 65.444 -186.644 65.4425 -416.035 GPRESSURE: 4250800 60.6846 -124.612 -195.873 -77.6066 115.759 73.432 -198.025 101.191 -346.771 PRESSAVG: 4250800 4.18168 -9.52947 -31.6009 -9.52953 -25.3762 16.7165 -31.6009 16.7166 -1.86225 GPRESSAVG: 4250800 3.53636 -8.54096 -31.035 -9.75967 -25.2448 15.7643 -30.498 16.4029 -1.55335 TIMING: 4250800 CPU: 12630.7, 0.00291878/step Wall: 12630.7, 0.00291878/step, 0.60743 hours remaining, 208.769531 MB of memory in use. ENERGY: 4250800 742.4354 2127.2166 1944.5577 91.9732 -206008.2406 17661.6517 0.0000 0.0000 34394.3460 -149046.0599 300.3744 -183440.4059 -148954.3529 300.0553 -90.6168 -56.7758 559100.7948 -7.6856 -7.7539 PRESSURE: 4251000 -194.683 162.14 -94.0795 162.141 6.39306 -6.23898 -94.0797 -6.24072 -21.178 GPRESSURE: 4251000 -125.003 115.725 -52.4574 161.991 23.8918 1.3718 -100.176 51.1228 -21.9294 PRESSAVG: 4251000 -45.9992 5.95805 -13.595 5.95815 61.9561 3.36474 -13.595 3.36486 -48.7131 GPRESSAVG: 4251000 -44.4985 4.24764 -12.9451 6.03516 61.5643 3.86423 -15.4458 2.80445 -49.6738 TIMING: 4251000 CPU: 12631.2, 0.00292806/step Wall: 12631.2, 0.00292806/step, 0.609198 hours remaining, 208.769531 MB of memory in use. ENERGY: 4251000 760.6342 2133.4376 1949.9259 123.8635 -205716.6267 17696.1329 0.0000 0.0000 34035.9149 -149016.7178 297.2441 -183052.6326 -148924.8219 300.3324 -69.8226 -41.0136 558376.1203 -10.9187 -10.8693 PRESSURE: 4251200 219.03 -174.808 -178.526 -174.81 170.778 -51.2634 -178.527 -51.2643 15.3447 GPRESSURE: 4251200 242.591 -242.525 -125.492 -118.356 221.056 -58.368 -198.098 -103.357 29.6112 PRESSAVG: 4251200 -52.6172 3.49599 32.301 3.49604 54.7365 35.8179 32.301 35.8179 22.2758 GPRESSAVG: 4251200 -53.6692 3.18191 33.2058 2.72013 55.5974 34.0481 33.6772 35.6207 22.4393 TIMING: 4251200 CPU: 12631.8, 0.00292111/step Wall: 12631.8, 0.00292111/step, 0.60759 hours remaining, 208.769531 MB of memory in use. ENERGY: 4251200 771.6733 2089.0709 1926.4698 119.7871 -206279.4497 17923.3290 0.0000 0.0000 34400.2908 -149048.8288 300.4263 -183449.1196 -148958.7471 299.9291 135.0506 164.4193 557133.7024 8.1317 8.1225 PRESSURE: 4251400 -21.5009 -33.4118 -285.955 -33.412 33.9738 -2.50175 -285.954 -2.50223 -18.6257 GPRESSURE: 4251400 51.5387 -60.5225 -291.795 -18.4706 60.7442 -68.7641 -170.613 -64.5815 -17.5213 PRESSAVG: 4251400 6.35754 7.57194 29.6308 7.57188 0.156613 16.0854 29.6308 16.0854 1.55344 GPRESSAVG: 4251400 5.94334 9.24361 29.6192 6.34735 -0.310423 15.83 30.8062 17.8677 2.59085 TIMING: 4251400 CPU: 12632.4, 0.00291276/step Wall: 12632.4, 0.00291276/step, 0.605692 hours remaining, 208.769531 MB of memory in use. ENERGY: 4251400 755.8973 2147.3998 1929.9776 114.6809 -206091.5382 17917.9937 0.0000 0.0000 34088.1291 -149137.4597 297.7001 -183225.5888 -149044.8496 299.7118 -2.0510 31.5872 558005.5565 2.6892 2.7413 PRESSURE: 4251600 214.792 -6.80338 33.3524 -6.8038 -157.537 51.4033 33.3533 51.4038 -145.511 GPRESSURE: 4251600 200.665 -38.3148 73.6079 -71.2086 -112.471 146.57 21.0468 -11.1792 -77.7893 PRESSAVG: 4251600 15.6676 13.586 20.2539 13.5859 -8.19213 30.228 20.2539 30.2278 -47.9343 GPRESSAVG: 4251600 16.3877 15.0748 19.1126 13.1568 -8.99507 31.4825 19.7019 29.2059 -47.7485 TIMING: 4251600 CPU: 12633, 0.00292292/step Wall: 12633, 0.00292292/step, 0.607642 hours remaining, 208.773438 MB of memory in use. ENERGY: 4251600 742.9751 2074.4959 1911.8252 110.3443 -205881.3607 17675.9622 0.0000 0.0000 34270.1099 -149095.6482 299.2894 -183365.7581 -149000.7487 299.2201 -29.4189 3.4682 558748.8992 -13.4863 -13.4520 PRESSURE: 4251800 -249.942 -42.2406 125.708 -42.2399 -67.8242 -70.8238 125.707 -70.8233 -84.4687 GPRESSURE: 4251800 -192.366 -85.4989 95.3319 4.99097 -61.5219 -101.184 144.871 -39.285 -43.6729 PRESSAVG: 4251800 20.1053 -26.2529 -16.5564 -26.2528 -0.852616 35.0204 -16.5564 35.0203 -15.7928 GPRESSAVG: 4251800 18.6602 -30.0366 -17.0463 -22.9231 0.161234 35.3992 -16.6767 34.0268 -15.1964 TIMING: 4251800 CPU: 12633.6, 0.00293519/step Wall: 12633.6, 0.00293519/step, 0.610031 hours remaining, 208.773438 MB of memory in use. ENERGY: 4251800 773.7819 2095.7578 1910.0961 116.3263 -205942.2052 17651.9058 0.0000 0.0000 34328.1537 -149066.1836 299.7963 -183394.3373 -148966.2256 299.5851 -134.0782 -99.1869 558196.1222 1.1533 1.2083 PRESSURE: 4252000 -76.0433 249.258 -114.483 249.257 20.9748 73.7985 -114.483 73.8006 68.7442 GPRESSURE: 4252000 -49.9758 154.428 -139.999 282.13 85.8274 -21.7015 -151.683 126.832 67.7138 PRESSAVG: 4252000 32.9693 64.5367 20.2317 64.5367 34.1499 22.7784 20.2317 22.7782 -100.139 GPRESSAVG: 4252000 34.8227 65.6741 20.743 62.0073 34.391 21.8338 20.8635 23.4939 -101.03 TIMING: 4252000 CPU: 12634.2, 0.00291923/step Wall: 12634.2, 0.00291923/step, 0.606551 hours remaining, 208.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4252000 755.4855 2099.9939 1904.1261 95.6891 -206067.0053 17848.7651 0.0000 0.0000 34244.0323 -149118.9131 299.0617 -183362.9455 -149015.3927 299.4481 4.5586 34.5218 556304.7737 -11.0067 -10.6055 PRESSURE: 4252200 -20.8074 188.802 -77.6369 188.802 56.0205 -67.9171 -77.6361 -67.9184 -72.7436 GPRESSURE: 4252200 -40.1861 180.532 12.4537 253.963 92.9557 -17.1707 -120.259 48.4917 0.00400218 PRESSAVG: 4252200 15.2894 21.5721 11.3705 21.5721 11.7849 -4.52005 11.3705 -4.51997 -24.4636 GPRESSAVG: 4252200 15.6979 22.919 12.567 22.7616 11.4558 -4.15488 9.85936 -2.41742 -24.8967 TIMING: 4252200 CPU: 12634.7, 0.00291148/step Wall: 12634.7, 0.00291148/step, 0.604779 hours remaining, 208.773438 MB of memory in use. ENERGY: 4252200 739.5598 2057.8564 1937.2334 118.9521 -205615.8360 17582.6831 0.0000 0.0000 34178.7566 -149000.7946 298.4916 -183179.5512 -148902.1757 299.4577 -12.5102 17.5912 557015.2132 0.8702 0.7523 LDB: ============= START OF LOAD BALANCING ============== 12638.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12638.3 LDB: =============== DONE WITH MIGRATION ================ 12638.3 LDB: ============= START OF LOAD BALANCING ============== 12638.6 LDB: Largest compute 4801 load 0.022196 is 18.8% of average load 0.118250 LDB: Average compute 0.001738 is 1.5% of average load 0.118250 LDB: TIME 12638.6 LOAD: AVG 0.11825 MAX 0.197328 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.082 MB LDB: TIME 12638.6 LOAD: AVG 0.11825 MAX 0.197328 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.082 MB LDB: TIME 12638.6 LOAD: AVG 0.11825 MAX 0.197328 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.082 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12638.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12638.6 PRESSURE: 4252400 53.6247 -111.47 -9.17887 -111.47 -25.1504 161.952 -9.17947 161.953 -46.058 GPRESSURE: 4252400 47.2372 -165.959 26.7519 -77.6727 11.2323 67.3286 -48.2778 281.354 3.91745 PRESSAVG: 4252400 3.22766 11.4474 18.6806 11.4474 13.6983 0.316664 18.6806 0.316698 -9.42091 GPRESSAVG: 4252400 3.11454 11.342 19.4741 10.668 13.1201 0.414547 17.964 -1.639 -8.68863 TIMING: 4252400 CPU: 12635.3, 0.00302749/step Wall: 12635.3, 0.00302749/step, 0.628708 hours remaining, 206.957031 MB of memory in use. ENERGY: 4252400 746.9749 2140.5721 1931.5104 122.6072 -206372.2503 17861.5857 0.0000 0.0000 34444.2701 -149124.7300 300.8104 -183569.0001 -149030.1866 299.9396 -5.8612 20.7957 557594.5503 2.5017 2.5153 PRESSURE: 4252600 63.9341 18.8734 21.5557 18.8734 -150.317 -302.021 21.5546 -302.022 51.404 GPRESSURE: 4252600 109.449 21.5975 -9.34044 51.3821 -102.971 -319.579 67.7702 -157.538 54.334 PRESSAVG: 4252600 30.0801 -37.072 -4.48802 -37.0719 -12.322 2.64229 -4.48804 2.64233 -15.3015 GPRESSAVG: 4252600 29.7876 -39.0183 -7.1965 -34.9673 -10.7989 3.23099 -3.27111 4.24783 -16.558 TIMING: 4252600 CPU: 12635.9, 0.00295574/step Wall: 12635.9, 0.00295574/step, 0.613644 hours remaining, 206.957031 MB of memory in use. ENERGY: 4252600 754.4135 2086.6468 1903.9278 112.8401 -206427.6264 17980.4333 0.0000 0.0000 34494.3136 -149095.0514 301.2474 -183589.3650 -148998.0079 300.2801 -11.6596 20.2708 558126.7352 0.8189 0.8102 PRESSURE: 4252800 136.994 -6.34531 54.2573 -6.34459 247.145 152.813 54.2557 152.814 8.82782 GPRESSURE: 4252800 206.914 44.9085 74.1559 -99.8562 209.854 164.669 26.9222 146.665 63.5686 PRESSAVG: 4252800 -4.02006 -15.114 71.3025 -15.114 47.2572 7.90347 71.3026 7.90348 -39.3778 GPRESSAVG: 4252800 -3.94085 -13.3796 72.6596 -16.7948 45.2777 8.80516 70.4571 7.63638 -37.7166 TIMING: 4252800 CPU: 12636.5, 0.00295791/step Wall: 12636.5, 0.00295791/step, 0.613931 hours remaining, 206.957031 MB of memory in use. ENERGY: 4252800 749.5451 2104.7912 1944.0795 117.4342 -206574.5554 18171.2178 0.0000 0.0000 34507.4636 -148980.0240 301.3623 -183487.4875 -148887.3354 300.0372 130.9891 160.1120 557447.8113 1.2865 1.2068 PRESSURE: 4253000 -158.865 -10.1921 25.3934 -10.1915 -253.881 -51.4048 25.3921 -51.4063 -19.8555 GPRESSURE: 4253000 -131.337 11.2618 118.653 49.7283 -155.434 6.11966 -68.3394 -63.9843 -49.8316 PRESSAVG: 4253000 36.2856 -14.2839 -64.3543 -14.2837 -14.0202 -9.23046 -64.3543 -9.23047 -75.5656 GPRESSAVG: 4253000 35.9697 -15.9483 -62.9421 -13.2469 -12.0232 -8.94718 -64.8642 -10.7144 -77.6026 TIMING: 4253000 CPU: 12637.1, 0.00296179/step Wall: 12637.1, 0.00296179/step, 0.614571 hours remaining, 206.957031 MB of memory in use. ENERGY: 4253000 750.4875 2131.0222 1936.1174 114.6921 -205964.5842 17551.3580 0.0000 0.0000 34336.4004 -149144.5066 299.8683 -183480.9070 -149042.8970 299.7339 -144.2005 -112.2010 558572.1271 -17.7668 -17.8854 PRESSURE: 4253200 2.52158 -111.453 -50.2903 -111.454 -54.6549 180.336 -50.2892 180.335 138.508 GPRESSURE: 4253200 4.17513 -62.8599 -70.5443 -79.0587 13.6906 150.903 30.5769 284.795 162.784 PRESSAVG: 4253200 53.5684 -17.9559 -23.2223 -17.9558 -43.9023 14.7402 -23.2223 14.7401 -62.4049 GPRESSAVG: 4253200 52.653 -16.8289 -24.0685 -18.8553 -44.977 15.9244 -21.6776 15.6981 -60.9684 TIMING: 4253200 CPU: 12637.7, 0.00295526/step Wall: 12637.7, 0.00295526/step, 0.613052 hours remaining, 206.957031 MB of memory in use. ENERGY: 4253200 746.8633 2089.8270 1932.6545 123.8065 -206037.2659 17773.2648 0.0000 0.0000 34313.4537 -149057.3960 299.6679 -183370.8497 -148962.7634 299.5630 28.7915 60.2166 557975.1590 -17.5796 -17.7641 PRESSURE: 4253400 12.6306 -35.9183 5.95201 -35.9193 177.388 -6.26537 5.95085 -6.26686 -3.09927 GPRESSURE: 4253400 85.7967 -94.4041 5.18868 -70.0936 137.325 48.7359 -14.5878 16.8782 50.7022 PRESSAVG: 4253400 -47.593 -14.7708 -69.6556 -14.7708 71.7492 -2.60845 -69.6556 -2.60837 -8.68951 GPRESSAVG: 4253400 -46.1991 -16.5259 -70.5842 -14.8139 71.2063 -3.7536 -71.1828 -3.01188 -9.91243 TIMING: 4253400 CPU: 12638.3, 0.00294264/step Wall: 12638.3, 0.00294264/step, 0.610271 hours remaining, 206.957031 MB of memory in use. ENERGY: 4253400 726.6853 2074.7774 1941.2202 121.9267 -206417.7262 17981.5739 0.0000 0.0000 34446.8362 -149124.7065 300.8328 -183571.5427 -149020.8571 300.0125 62.3064 91.2745 557550.5079 5.1556 5.0316 PRESSURE: 4253600 -148.75 24.2997 -119.132 24.2994 -62.3075 -55.6099 -119.132 -55.6096 7.99188 GPRESSURE: 4253600 -108.84 1.65893 -125.683 99.6128 -53.5304 -66.5925 -41.2658 -93.9361 63.3667 PRESSAVG: 4253600 8.61417 38.5763 -41.7875 38.5762 -24.3311 -40.8739 -41.7874 -40.874 18.5898 GPRESSAVG: 4253600 7.39983 40.1335 -42.2347 38.6795 -23.5298 -41.4215 -40.431 -41.9469 19.2591 TIMING: 4253600 CPU: 12638.9, 0.00295758/step Wall: 12638.9, 0.00295758/step, 0.613204 hours remaining, 206.957031 MB of memory in use. ENERGY: 4253600 769.4251 2070.1230 1925.4806 114.6128 -206143.7213 17827.0878 0.0000 0.0000 34300.8546 -149136.1374 299.5579 -183436.9920 -149036.5236 299.6988 -67.6885 -33.0012 557041.3755 0.9576 1.0431 PRESSURE: 4253800 275.96 -124.751 -117.878 -124.751 361.596 -61.016 -117.878 -61.0155 268.213 GPRESSURE: 4253800 282.879 -179.324 -152.75 -41.473 389.496 -51.9271 -67.108 16.6018 327.645 PRESSAVG: 4253800 -16.6622 9.42376 -49.7135 9.42375 -3.59739 44.9933 -49.7134 44.9932 -4.79294 GPRESSAVG: 4253800 -16.9456 10.0188 -47.8919 9.54155 -3.9227 46.3982 -51.5973 46.5365 -4.11062 TIMING: 4253800 CPU: 12639.5, 0.00295595/step Wall: 12639.5, 0.00295595/step, 0.612702 hours remaining, 206.957031 MB of memory in use. ENERGY: 4253800 729.6193 2080.4010 1923.0434 133.7189 -206464.8972 18114.9031 0.0000 0.0000 34274.2844 -149208.9272 299.3259 -183483.2116 -149109.7482 299.5872 301.9228 333.3402 555300.1331 -8.3509 -8.3263 PRESSURE: 4254000 23.561 75.8094 63.1745 75.8096 -114.31 175.193 63.1752 175.194 156.314 GPRESSURE: 4254000 33.9259 151.552 51.7809 4.04392 -107.947 198.74 147.808 195.706 231.224 PRESSAVG: 4254000 10.4055 -64.7639 2.0157 -64.7639 1.5033 62.649 2.01566 62.6491 34.1103 GPRESSAVG: 4254000 10.715 -64.6926 1.15807 -66.7746 1.98215 60.5791 2.20164 61.3968 33.2644 TIMING: 4254000 CPU: 12640.1, 0.00294025/step Wall: 12640.1, 0.00294025/step, 0.609285 hours remaining, 206.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4254000 742.6145 2094.8537 1917.7091 125.7705 -206317.6353 17852.4704 0.0000 0.0000 34406.1942 -149178.0229 300.4779 -183584.2171 -149085.0027 299.5109 21.8550 52.4009 556680.4006 15.3397 15.3205 PRESSURE: 4254200 -340.629 85.7441 -66.9859 85.7445 -56.4217 70.5478 -66.9848 70.5486 -224.814 GPRESSURE: 4254200 -311.202 79.381 -134.678 89.4722 -8.01205 23.9913 61.5408 141.86 -203.361 PRESSAVG: 4254200 13.0658 51.4395 19.7614 51.4396 -8.83476 20.535 19.7615 20.535 34.6994 GPRESSAVG: 4254200 11.999 50.6703 19.2142 53.4547 -8.45387 20.8312 22.9181 19.8918 35.3684 TIMING: 4254200 CPU: 12640.7, 0.00294773/step Wall: 12640.7, 0.00294773/step, 0.610671 hours remaining, 206.957031 MB of memory in use. ENERGY: 4254200 753.9032 2095.3395 1926.2467 112.9373 -205714.3684 17398.1403 0.0000 0.0000 34218.0540 -149209.7474 298.8348 -183427.8013 -149113.4006 299.2424 -207.2882 -174.1915 558159.0489 12.9768 12.9712 PRESSURE: 4254400 227.131 137.841 -63.891 137.841 143.285 8.90032 -63.8901 8.90097 -77.6598 GPRESSURE: 4254400 232.815 203.839 -64.4479 69.4282 192.347 3.24091 -35.044 6.03295 -38.8168 PRESSAVG: 4254400 45.5183 17.3854 -22.322 17.3854 -18.5351 16.6767 -22.3221 16.6766 -39.168 GPRESSAVG: 4254400 46.6012 18.0425 -21.6882 16.6391 -19.8105 17.2912 -24.8769 17.9461 -39.1341 TIMING: 4254400 CPU: 12641.2, 0.00291149/step Wall: 12641.2, 0.00291149/step, 0.603001 hours remaining, 207.097656 MB of memory in use. ENERGY: 4254400 692.8752 2070.6809 1937.0783 110.5627 -206480.9801 17939.2156 0.0000 0.0000 34578.2368 -149152.3306 301.9803 -183730.5674 -149054.9835 299.9345 97.5854 128.7815 557672.3610 -4.0616 -4.1145 PRESSURE: 4254600 57.2279 -61.2059 -51.0466 -61.2059 -218.281 93.3449 -51.0456 93.3458 -256.526 GPRESSURE: 4254600 95.0808 -27.469 -59.6489 -81.6301 -174.285 72.3147 -36.0119 90.2744 -245.024 PRESSAVG: 4254600 23.7356 -28.3027 -42.9739 -28.3027 -32.2259 -6.99494 -42.9739 -6.99489 -15.602 GPRESSAVG: 4254600 24.7666 -30.0077 -41.4365 -27.4087 -30.9512 -8.44146 -41.1824 -5.74145 -17.9777 TIMING: 4254600 CPU: 12641.8, 0.00293844/step Wall: 12641.8, 0.00293844/step, 0.608421 hours remaining, 207.097656 MB of memory in use. ENERGY: 4254600 738.2393 2053.7069 1938.7443 124.1428 -206088.6304 17616.4123 0.0000 0.0000 34418.6235 -149198.7612 300.5864 -183617.3848 -149100.5563 299.4284 -139.1932 -108.0761 557277.1906 -8.0308 -8.0541 PRESSURE: 4254800 -20.9903 -49.1052 -69.1091 -49.1044 -37.2296 -65.4027 -69.1097 -65.4027 -253.599 GPRESSURE: 4254800 -27.5233 30.7492 -66.2312 -21.3226 27.1396 -146.073 -73.0212 -18.9598 -215.737 PRESSAVG: 4254800 28.9275 -19.2249 5.12158 -19.225 -32.9922 -21.0639 5.12155 -21.0639 -25.7307 GPRESSAVG: 4254800 27.2691 -18.791 4.32361 -17.7558 -33.3906 -21.9001 3.81616 -22.9818 -23.5858 TIMING: 4254800 CPU: 12642.4, 0.00292824/step Wall: 12642.4, 0.00292824/step, 0.606145 hours remaining, 207.097656 MB of memory in use. ENERGY: 4254800 770.6746 2120.1062 1931.6560 114.9923 -205893.4263 17480.1524 0.0000 0.0000 34259.2169 -149216.6280 299.1943 -183475.8449 -149125.3402 299.7473 -103.9396 -72.0402 556860.9816 -9.9318 -9.9024 PRESSURE: 4255000 -227.826 -28.2238 -43.6442 -28.2257 33.4363 56.4517 -43.6447 56.4521 -200.692 GPRESSURE: 4255000 -231.31 -106.591 -29.7162 18.354 86.6531 81.2969 -25.9217 91.0213 -154.239 PRESSAVG: 4255000 2.77295 63.3913 20.7672 63.3912 -3.30924 -8.22869 20.767 -8.22855 9.45669 GPRESSAVG: 4255000 2.12313 64.1313 19.7388 62.6779 -2.28366 -9.35937 21.8295 -7.56031 9.10487 TIMING: 4255000 CPU: 12643, 0.00291045/step Wall: 12643, 0.00291045/step, 0.602302 hours remaining, 207.097656 MB of memory in use. ENERGY: 4255000 743.4042 2081.8813 1953.6082 109.3879 -205749.3570 17537.3814 0.0000 0.0000 34298.2264 -149025.4676 299.5349 -183323.6940 -148923.2435 299.5199 -131.6938 -99.6318 557267.3412 2.9735 2.9814 PRESSURE: 4255200 -304.303 5.25062 -48.4736 5.25238 -330.636 16.9383 -48.4732 16.939 -91.8792 GPRESSURE: 4255200 -272.716 57.4556 -98.5049 -32.158 -267.881 66.7756 -91.7066 -15.0726 -82.8052 PRESSAVG: 4255200 77.4987 32.0033 -23.6883 32.0033 -39.1861 36.3272 -23.6882 36.3271 -22.2921 GPRESSAVG: 4255200 76.9926 33.0727 -24.0343 31.3664 -40.6196 41.0571 -23.3502 32.8273 -20.4801 TIMING: 4255200 CPU: 12643.6, 0.00290575/step Wall: 12643.6, 0.00290575/step, 0.601168 hours remaining, 207.097656 MB of memory in use. ENERGY: 4255200 757.2262 2095.3830 1912.6883 113.1285 -205942.9398 17465.7116 0.0000 0.0000 34392.3029 -149206.4994 300.3565 -183598.8022 -149108.3503 299.3791 -242.2727 -207.8008 558923.3094 5.3401 5.2976 PRESSURE: 4255400 -132.953 -22.8415 39.2865 -22.8422 -91.8471 -19.932 39.2858 -19.9322 -87.9453 GPRESSURE: 4255400 -89.4318 -69.668 68.0513 -34.4879 -89.4915 -34.1109 -25.2077 -70.2777 -24.9128 PRESSAVG: 4255400 -47.942 -26.6261 -44.559 -26.6261 5.69057 -51.8939 -44.5589 -51.8939 -17.5016 GPRESSAVG: 4255400 -47.3314 -27.4806 -44.7334 -26.7452 5.8139 -54.1474 -45.5219 -47.7971 -17.8894 TIMING: 4255400 CPU: 12644.2, 0.00294472/step Wall: 12644.2, 0.00294472/step, 0.609067 hours remaining, 207.097656 MB of memory in use. ENERGY: 4255400 724.2763 2033.1323 1951.8390 110.9131 -206363.7857 17886.2691 0.0000 0.0000 34395.6107 -149261.7451 300.3854 -183657.3558 -149170.4679 299.1591 -104.2485 -67.9454 558771.0564 -19.9177 -19.8023 PRESSURE: 4255600 -30.1272 -113.307 -37.3742 -113.307 -251.904 -9.4979 -37.375 -9.49788 -288.335 GPRESSURE: 4255600 36.376 -139.939 5.9891 -133.832 -233.961 21.1048 40.046 108.984 -284.601 PRESSAVG: 4255600 17.3029 1.94568 16.4033 1.94562 9.54738 -10.9349 16.4034 -10.9349 -28.9696 GPRESSAVG: 4255600 17.4569 2.18751 18.0115 2.12461 9.93642 -11.9963 17.2395 -11.0114 -29.5829 TIMING: 4255600 CPU: 12644.8, 0.00295985/step Wall: 12644.8, 0.00295985/step, 0.612031 hours remaining, 207.097656 MB of memory in use. ENERGY: 4255600 734.4123 2103.1070 1953.1088 103.5320 -205753.0337 17498.1164 0.0000 0.0000 34274.7278 -149086.0295 299.3297 -183360.7573 -148990.1799 299.9095 -190.1218 -160.7288 558796.3932 -0.7064 -0.7298 PRESSURE: 4255800 107.321 24.3689 -111.359 24.3665 5.12389 21.6705 -111.359 21.6701 108.257 GPRESSURE: 4255800 133.944 -21.482 -29.0557 -16.1059 48.8855 39.3995 -122.322 36.1625 126.792 PRESSAVG: 4255800 18.8367 -50.0519 38.8184 -50.0518 63.286 -41.6459 38.8184 -41.646 -59.2058 GPRESSAVG: 4255800 20.3295 -50.4478 39.2789 -49.8901 63.5453 -41.0542 39.029 -41.0583 -60.313 TIMING: 4255800 CPU: 12645.4, 0.00293732/step Wall: 12645.4, 0.00293732/step, 0.60721 hours remaining, 207.136719 MB of memory in use. ENERGY: 4255800 755.4358 2092.3708 1946.9865 112.3360 -206076.7219 17664.3261 0.0000 0.0000 34421.2465 -149084.0203 300.6093 -183505.2668 -148988.6959 300.3974 73.5673 103.2072 557195.9267 7.6389 7.8539 PRESSURE: 4256000 -232.001 3.3843 83.3317 3.38421 -286.205 -63.7382 83.3319 -63.7376 -192.109 GPRESSURE: 4256000 -213.511 33.6351 -5.95794 23.6983 -230.073 -43.5774 216.086 -106.317 -164.761 PRESSAVG: 4256000 20.7098 -8.09328 12.6891 -8.09328 23.4698 -7.12157 12.6891 -7.12157 -81.8683 GPRESSAVG: 4256000 20.4352 -6.89724 11.7851 -7.87961 23.2904 -6.95249 13.8444 -6.70585 -81.144 TIMING: 4256000 CPU: 12645.9, 0.00293473/step Wall: 12645.9, 0.00293473/step, 0.606512 hours remaining, 207.136719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4256000 727.9289 2053.5709 1931.5443 120.1358 -205386.1159 17308.7681 0.0000 0.0000 34123.3810 -149120.7869 298.0080 -183244.1680 -149024.0929 299.4421 -236.7717 -202.7814 557333.7709 -12.5629 -12.4728 PRESSURE: 4256200 -172.615 31.1458 -81.7473 31.1464 -196.315 162.976 -81.749 162.975 -53.8547 GPRESSURE: 4256200 -150.423 -37.5809 -119.592 81.3556 -201.69 206.215 32.8321 216.586 24.0293 PRESSAVG: 4256200 39.8251 10.2993 -17.0179 10.2993 -42.2811 -11.573 -17.0179 -11.573 -13.7578 GPRESSAVG: 4256200 40.9186 11.8406 -17.683 9.27839 -42.7448 -12.6556 -19.0277 -12.7293 -13.7646 TIMING: 4256200 CPU: 12646.5, 0.00294277/step Wall: 12646.5, 0.00294277/step, 0.60801 hours remaining, 207.136719 MB of memory in use. ENERGY: 4256200 760.8269 2044.0159 1976.4973 121.1203 -205827.8627 17560.3178 0.0000 0.0000 34270.4214 -149094.6632 299.2921 -183365.0846 -149002.0021 299.3622 -140.9281 -109.3612 556609.7128 -5.4046 -5.1970 LDB: ============= START OF LOAD BALANCING ============== 12650.1 LDB: ============== END OF LOAD BALANCING =============== 12650.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12650.1 LDB: ============= START OF LOAD BALANCING ============== 12650.4 LDB: Largest compute 4801 load 0.022217 is 18.8% of average load 0.118269 LDB: Average compute 0.001740 is 1.5% of average load 0.118269 LDB: TIME 12650.4 LOAD: AVG 0.118269 MAX 0.196139 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.609 MB LDB: TIME 12650.4 LOAD: AVG 0.118269 MAX 0.196139 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.609 MB LDB: TIME 12650.4 LOAD: AVG 0.118269 MAX 0.196139 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.609 MB LDB: ============== END OF LOAD BALANCING =============== 12650.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12650.4 PRESSURE: 4256400 -65.2093 70.2504 -49.0549 70.2511 36.4249 103.766 -49.0565 103.768 162.059 GPRESSURE: 4256400 -59.0226 81.4035 -51.4735 135.399 64.1993 74.8548 -51.1428 94.0056 227.014 PRESSAVG: 4256400 -19.156 32.5352 -56.2138 32.5354 57.537 -13.3546 -56.2138 -13.3546 -3.65356 GPRESSAVG: 4256400 -20.5452 30.9218 -57.2218 34.1623 59.0931 -11.7502 -55.7966 -14.1616 -3.12997 TIMING: 4256400 CPU: 12647.1, 0.00299758/step Wall: 12647.1, 0.00299758/step, 0.619167 hours remaining, 208.378906 MB of memory in use. ENERGY: 4256400 729.6857 2080.7293 1948.4308 107.5768 -206034.5634 17785.8369 0.0000 0.0000 34237.1679 -149145.1360 299.0017 -183382.3039 -149051.4845 299.0052 44.4249 77.3968 556521.7280 11.5758 11.8060 PRESSURE: 4256600 -90.5967 -194.256 -99.8323 -194.256 18.828 -91.6888 -99.8333 -91.6887 204.652 GPRESSURE: 4256600 -68.3387 -85.4649 -76.4855 -220.505 100.596 -119.706 -112.605 -80.2707 194.739 PRESSAVG: 4256600 -66.702 -16.6193 -40.4254 -16.6193 11.7926 4.73746 -40.4255 4.73752 47.4231 GPRESSAVG: 4256600 -65.5799 -18.0106 -39.8247 -15.4942 10.4601 5.29422 -38.9035 3.41846 47.2452 TIMING: 4256600 CPU: 12647.7, 0.00294081/step Wall: 12647.7, 0.00294081/step, 0.607277 hours remaining, 208.378906 MB of memory in use. ENERGY: 4256600 720.9975 2049.1045 1967.4628 99.3186 -206098.4174 17773.7314 0.0000 0.0000 34356.0741 -149131.7284 300.0401 -183487.8025 -149038.8642 298.4802 44.2943 75.6654 557750.1008 -2.4954 -2.6249 PRESSURE: 4256800 199.883 -19.682 13.8408 -19.682 54.7619 133.759 13.8399 133.76 292.622 GPRESSURE: 4256800 195.802 18.201 1.64795 -5.55286 135.887 126.256 0.391688 196.661 297.432 PRESSAVG: 4256800 -8.2748 -15.1081 1.61875 -15.1083 -23.2642 8.32169 1.61865 8.32163 36.1035 GPRESSAVG: 4256800 -7.9984 -14.576 2.7591 -16.214 -24.225 5.87007 0.184072 12.1451 36.5802 TIMING: 4256800 CPU: 12648.3, 0.00297383/step Wall: 12648.3, 0.00297383/step, 0.613932 hours remaining, 208.378906 MB of memory in use. ENERGY: 4256800 753.6547 2099.7712 1953.0160 115.6065 -206412.1353 18044.4055 0.0000 0.0000 34351.8324 -149093.8490 300.0031 -183445.6814 -149001.6202 299.0751 182.4223 209.7072 557469.2394 1.5215 1.4523 PRESSURE: 4257000 -219.542 103.242 65.73 103.242 -163.226 -60.7109 65.7293 -60.7104 -159.28 GPRESSURE: 4257000 -175.467 54.0568 34.0052 64.4345 -161.963 -60.5408 114.05 -21.1544 -113.682 PRESSAVG: 4257000 -44.8155 23.9179 2.30999 23.918 -53.0412 25.3415 2.31003 25.3416 65.1155 GPRESSAVG: 4257000 -45.9467 24.9734 2.58728 25.3776 -52.098 26.1939 0.882192 22.3758 65.6719 TIMING: 4257000 CPU: 12648.9, 0.00294598/step Wall: 12648.9, 0.00294598/step, 0.608018 hours remaining, 208.378906 MB of memory in use. ENERGY: 4257000 754.7147 2037.6120 1952.3088 111.9097 -205928.8822 17522.7643 0.0000 0.0000 34206.8993 -149342.6734 298.7374 -183549.5726 -149247.7931 299.4177 -180.6826 -150.3708 556727.0865 -10.9137 -10.7909 PRESSURE: 4257200 -45.1736 -27.8085 -28.3115 -27.8078 118.238 52.5916 -28.3114 52.5926 346.068 GPRESSURE: 4257200 4.7176 -8.67953 -24.9529 -105.218 152.693 -4.59056 -28.7225 121.495 359.338 PRESSAVG: 4257200 -74.6251 -36.8824 -7.15712 -36.8824 -14.0577 20.7853 -7.15716 20.7853 90.5632 GPRESSAVG: 4257200 -73.4233 -36.6299 -8.23478 -38.6125 -14.2613 19.5524 -4.69749 20.9452 89.7982 TIMING: 4257200 CPU: 12649.5, 0.00293195/step Wall: 12649.5, 0.00293195/step, 0.604959 hours remaining, 208.527344 MB of memory in use. ENERGY: 4257200 732.5302 2133.5477 1930.1187 128.4198 -206073.2157 17840.8496 0.0000 0.0000 34074.8975 -149232.8521 297.5846 -183307.7496 -149134.6212 299.3297 139.7110 172.2494 554564.6477 0.6268 0.7045 PRESSURE: 4257400 203.481 21.0457 121.455 21.0458 -31.6034 -31.3955 121.455 -31.3955 -71.1577 GPRESSURE: 4257400 195.466 30.9756 82.2082 -27.2049 12.6239 -15.1937 -1.41997 -163.969 -30.6644 PRESSAVG: 4257400 15.8657 20.7708 -45.6896 20.7708 -52.8931 -42.5537 -45.6897 -42.5538 30.3176 GPRESSAVG: 4257400 15.52 20.9239 -44.4831 20.8397 -53.9641 -42.1146 -47.6664 -41.5704 31.36 TIMING: 4257400 CPU: 12650.1, 0.00294853/step Wall: 12650.1, 0.00294853/step, 0.608217 hours remaining, 208.527344 MB of memory in use. ENERGY: 4257400 732.7942 2094.6805 1931.8446 109.3504 -205964.6515 17711.1522 0.0000 0.0000 34310.6393 -149074.1903 299.6433 -183384.8296 -148976.5100 299.2473 33.5732 59.1417 556517.1166 -2.2366 -2.3614 PRESSURE: 4257600 119.545 30.5151 171.401 30.5142 -152.419 112.199 171.401 112.199 -193.339 GPRESSURE: 4257600 94.7188 3.86903 203.322 54.9549 -81.1969 131.05 175.358 130.374 -146.267 PRESSAVG: 4257600 -1.2878 -6.43734 17.0878 -6.43732 39.972 -52.4204 17.0879 -52.4205 -14.9921 GPRESSAVG: 4257600 -0.919817 -8.24209 15.9699 -7.56118 41.0371 -53.7928 19.2592 -51.5223 -16.3434 TIMING: 4257600 CPU: 12650.7, 0.00295408/step Wall: 12650.7, 0.00295408/step, 0.609196 hours remaining, 208.527344 MB of memory in use. ENERGY: 4257600 777.8208 2076.1191 1949.6819 110.9490 -205922.0227 17673.3270 0.0000 0.0000 34110.2214 -149223.9036 297.8930 -183334.1250 -149135.6463 299.2201 -75.4044 -44.2483 557951.2683 7.8974 7.9246 PRESSURE: 4257800 -97.2915 117.65 20.5818 117.651 -247.096 116.802 20.5829 116.801 -72.6573 GPRESSURE: 4257800 -41.5237 107.252 -27.7859 66.242 -194.987 216.742 140.171 90.0179 -92.7236 PRESSAVG: 4257800 12.4325 29.47 41.2118 29.47 31.1272 98.2963 41.2117 98.2964 -26.7383 GPRESSAVG: 4257800 12.7868 31.2189 40.7562 31.241 30.8075 100.399 39.3591 96.223 -27.2415 TIMING: 4257800 CPU: 12651.3, 0.00295973/step Wall: 12651.3, 0.00295974/step, 0.610199 hours remaining, 208.527344 MB of memory in use. ENERGY: 4257800 731.9055 2111.0642 1941.0643 120.8368 -205824.2800 17458.7799 0.0000 0.0000 34412.1128 -149048.5166 300.5295 -183460.6293 -148948.1636 299.0359 -139.0148 -109.7449 557138.7778 5.6071 5.4509 PRESSURE: 4258000 0.58467 76.467 -171.346 76.4675 -136.398 208.765 -171.347 208.765 339.397 GPRESSURE: 4258000 74.7632 86.7904 -146.476 170.471 -163.936 204.479 -202.109 171.485 387.344 PRESSAVG: 4258000 10.8496 7.11157 9.17627 7.11154 4.27499 89.091 9.17627 89.091 -7.71947 GPRESSAVG: 4258000 9.61122 7.47495 11.4877 5.50793 3.76751 88.7764 10.6988 90.4603 -5.64124 TIMING: 4258000 CPU: 12651.8, 0.00294619/step Wall: 12651.8, 0.00294619/step, 0.607243 hours remaining, 208.527344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4258000 748.3201 2104.9922 1944.6945 114.2866 -206286.6059 17943.2102 0.0000 0.0000 34269.3658 -149161.7366 299.2829 -183431.1023 -149060.9883 299.8177 67.8611 99.3905 558275.0127 2.4684 2.5792 PRESSURE: 4258200 244.954 43.5493 59.4664 43.5491 125.068 -54.9434 59.4666 -54.9407 107.371 GPRESSURE: 4258200 267.404 91.0464 -53.7916 18.3105 157.681 18.6467 37.1786 -49.5156 161.446 PRESSAVG: 4258200 6.44108 49.6752 -8.35821 49.6753 23.8016 19.5406 -8.3582 19.5407 -3.57213 GPRESSAVG: 4258200 6.75307 49.2701 -8.88674 49.198 24.6235 18.9378 -11.0938 19.1825 -4.75621 TIMING: 4258200 CPU: 12652.4, 0.00296874/step Wall: 12652.4, 0.00296874/step, 0.611726 hours remaining, 208.527344 MB of memory in use. ENERGY: 4258200 728.1928 2044.6661 1951.2787 105.6389 -206591.4160 18115.0958 0.0000 0.0000 34502.4263 -149144.1175 301.3183 -183646.5439 -149051.5688 299.9551 159.1307 195.5103 557541.6678 8.8902 8.8734 PRESSURE: 4258400 -127.409 -46.1456 -12.3283 -46.1464 -301.012 -35.8726 -12.3296 -35.8726 -191.164 GPRESSURE: 4258400 -112.79 -46.5639 -47.7106 -21.0586 -200.891 -52.4612 56.4173 -65.4743 -203.108 PRESSAVG: 4258400 51.5148 -16.7877 -11.4772 -16.7877 -29.4197 18.3532 -11.4773 18.3532 15.5294 GPRESSAVG: 4258400 51.9148 -17.2035 -11.96 -13.8878 -29.8161 19.9053 -9.8969 17.6843 15.7604 TIMING: 4258400 CPU: 12653, 0.00294263/step Wall: 12653, 0.00294263/step, 0.606182 hours remaining, 208.527344 MB of memory in use. ENERGY: 4258400 762.0935 2054.9674 1955.0656 106.2104 -205933.5334 17528.7524 0.0000 0.0000 34126.0525 -149400.3916 298.0313 -183526.4440 -149311.0679 299.1355 -206.5281 -172.2627 557448.6181 12.5415 12.6197 PRESSURE: 4258600 39.524 25.2272 65.5914 25.2277 102.4 -68.4316 65.5908 -68.433 183.364 GPRESSURE: 4258600 56.0439 -109.062 7.27783 46.725 150.289 -137.51 25.2606 -137.871 213.629 PRESSAVG: 4258600 -64.2678 -32.1509 -37.8698 -32.1509 56.2602 -14.3584 -37.8698 -14.3583 16.4445 GPRESSAVG: 4258600 -65.1836 -32.1731 -37.2846 -34.6406 57.0791 -14.3877 -39.1903 -12.1923 16.4571 TIMING: 4258600 CPU: 12653.6, 0.0029465/step Wall: 12653.6, 0.0029465/step, 0.606816 hours remaining, 208.527344 MB of memory in use. ENERGY: 4258600 760.9040 2120.9301 1937.5411 115.1795 -206443.2421 17943.8333 0.0000 0.0000 34107.6209 -149457.2332 297.8703 -183564.8541 -149365.3647 299.2294 108.4294 139.9873 556024.1384 2.8123 2.7842 PRESSURE: 4258800 -5.27027 -63.8478 7.72126 -63.8483 164.238 43.9325 7.72204 43.9331 191.461 GPRESSURE: 4258800 38.6372 -7.17295 16.6737 -103.1 218.134 78.759 -2.94345 -23.8677 187.077 PRESSAVG: 4258800 -100.435 -18.8524 -27.6568 -18.8524 40.6657 4.45648 -27.6568 4.45649 39.4897 GPRESSAVG: 4258800 -100.117 -17.1739 -29.2024 -20.3952 40.5751 3.90113 -25.4157 3.44765 39.3888 TIMING: 4258800 CPU: 12654.2, 0.00294837/step Wall: 12654.2, 0.00294837/step, 0.607037 hours remaining, 208.527344 MB of memory in use. ENERGY: 4258800 753.0311 2074.0860 1949.8675 115.0151 -206113.5192 17787.0032 0.0000 0.0000 34061.3305 -149373.1858 297.4661 -183434.5163 -149268.5930 299.0199 116.8095 147.9494 556801.1923 -6.7600 -6.7177 PRESSURE: 4259000 191.415 27.5719 16.0894 27.5712 65.4206 49.8492 16.0901 49.8507 113.376 GPRESSURE: 4259000 196.177 -12.9678 41.893 145.921 96.3257 78.9975 22.4951 -4.76704 178.948 PRESSAVG: 4259000 -19.8153 -8.41375 -41.5176 -8.41384 25.9814 59.0797 -41.5176 59.0797 -8.67794 GPRESSAVG: 4259000 -19.9442 -9.37144 -42.4214 -5.63266 27.1694 59.7475 -43.3552 58.3085 -8.90473 TIMING: 4259000 CPU: 12654.8, 0.00293741/step Wall: 12654.8, 0.00293741/step, 0.604617 hours remaining, 208.527344 MB of memory in use. ENERGY: 4259000 778.3487 2098.8315 1956.2879 130.7197 -206487.8724 18008.3356 0.0000 0.0000 34298.9378 -149216.4112 299.5412 -183515.3490 -149117.6324 298.9385 123.4038 157.1502 556610.5715 -0.8373 -0.5599 PRESSURE: 4259200 64.7364 -74.4276 -128.833 -74.4282 -173.881 -122.147 -128.833 -122.147 9.61739 GPRESSURE: 4259200 84.9104 -143.259 -129.589 -22.6025 -135.472 -41.1474 -128.713 -42.2499 45.562 PRESSAVG: 4259200 30.1901 -23.654 -31.8997 -23.654 8.64778 39.8834 -31.8997 39.8833 24.9449 GPRESSAVG: 4259200 31.6366 -24.9777 -29.4657 -24.6926 8.96845 40.5235 -32.2832 40.6081 23.4191 TIMING: 4259200 CPU: 12655.4, 0.00295796/step Wall: 12655.4, 0.00295796/step, 0.608682 hours remaining, 208.527344 MB of memory in use. ENERGY: 4259200 754.8128 2069.7764 1954.5636 101.9574 -206068.1362 17764.6427 0.0000 0.0000 34315.9440 -149106.4392 299.6897 -183422.3833 -149007.8593 299.5370 -33.1758 -1.6666 556183.6281 21.2609 21.3414 PRESSURE: 4259400 -103.922 -140.37 2.517 -140.37 -195.235 49.5167 2.5163 49.517 -136.808 GPRESSURE: 4259400 -61.4188 -94.488 31.2162 -72.984 -167.531 52.6913 -12.5145 48.3236 -99.0087 PRESSAVG: 4259400 19.5113 42.7941 -30.4587 42.7941 -16.2731 -31.3552 -30.4586 -31.3553 4.68682 GPRESSAVG: 4259400 18.56 42.6378 -33.528 45.0046 -17.2452 -33.0774 -29.9406 -29.1617 6.39891 TIMING: 4259400 CPU: 12656, 0.00294249/step Wall: 12656, 0.00294249/step, 0.605336 hours remaining, 208.527344 MB of memory in use. ENERGY: 4259400 739.8920 2094.2406 1937.5242 109.7147 -205858.4642 17577.4193 0.0000 0.0000 34454.7005 -148944.9728 300.9015 -183399.6733 -148845.1987 299.9558 -145.3219 -109.3194 557694.5313 2.6417 2.5712 PRESSURE: 4259600 -163.601 -8.68404 53.8412 -8.68395 -45.8225 -10.3043 53.8412 -10.3048 193.111 GPRESSURE: 4259600 -86.7811 -58.8204 79.541 26.4225 -12.0848 -44.9819 8.15116 95.1193 183.008 PRESSAVG: 4259600 36.7569 -11.0083 29.3759 -11.0083 -59.173 14.6715 29.376 14.6714 21.3836 GPRESSAVG: 4259600 38.1289 -9.98105 32.1547 -12.2128 -59.4157 14.9394 27.2598 13.6413 19.6286 TIMING: 4259600 CPU: 12656.6, 0.00295959/step Wall: 12656.6, 0.00295959/step, 0.608689 hours remaining, 208.527344 MB of memory in use. ENERGY: 4259600 708.9926 2104.0192 1966.3256 113.9157 -206065.1491 17800.7298 0.0000 0.0000 34398.9435 -148972.2227 300.4145 -183371.1663 -148873.7832 300.2719 -5.4374 28.0474 557808.6507 -0.3441 -0.5528 PRESSURE: 4259800 40.1665 -114.315 35.315 -114.315 -20.1869 -8.10135 35.3142 -8.09995 -293.356 GPRESSURE: 4259800 25.3467 -131.009 44.1686 -113.077 58.0739 19.3417 54.1085 48.3123 -266.552 PRESSAVG: 4259800 33.3838 34.6845 50.2933 34.6846 24.5849 -48.377 50.2933 -48.3771 -21.3297 GPRESSAVG: 4259800 32.7608 35.2071 50.2465 32.8259 24.2152 -48.2769 51.37 -49.2231 -20.6511 TIMING: 4259800 CPU: 12657.2, 0.00295614/step Wall: 12657.2, 0.00295614/step, 0.607814 hours remaining, 208.527344 MB of memory in use. ENERGY: 4259800 738.7299 2092.8745 1939.4675 115.4450 -206011.2786 17722.3597 0.0000 0.0000 34304.5298 -149097.8722 299.5900 -183402.4020 -149009.0065 300.4737 -91.1253 -61.0439 557407.5355 12.2130 12.1083 PRESSURE: 4260000 -347.869 -18.6313 -81.1501 -18.6326 96.0101 -86.4626 -81.1508 -86.4632 214.068 GPRESSURE: 4260000 -295.078 -25.5843 -52.2409 -28.5446 127.548 -98.7726 -80.0588 -68.8771 220.427 PRESSAVG: 4260000 -20.9104 17.6435 21.3646 17.6436 42.2189 2.26579 21.3646 2.26577 -12.165 GPRESSAVG: 4260000 -21.2272 16.895 20.9121 18.5247 42.3448 1.51461 22.2031 1.98447 -12.2573 TIMING: 4260000 CPU: 12657.7, 0.00293891/step Wall: 12657.7, 0.00293891/step, 0.60411 hours remaining, 208.527344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4260000 736.6090 2087.9466 1950.2434 115.2302 -206404.8666 17953.9676 0.0000 0.0000 34257.6390 -149303.2308 299.1805 -183560.8699 -149210.1800 299.1544 -12.5971 17.6324 559362.6923 3.0478 2.9535 PRESSURE: 4260200 29.3716 302.368 -129.74 302.37 70.4886 -45.4989 -129.74 -45.4995 219.802 GPRESSURE: 4260200 78.569 274.768 -106.897 273.836 142.601 -68.8256 -174.415 -10.7991 190.912 PRESSAVG: 4260200 -49.1207 -22.1835 -33.6363 -22.1835 5.98964 23.671 -33.6362 23.671 13.1308 GPRESSAVG: 4260200 -48.5256 -22.3904 -32.6812 -23.9537 4.63925 24.5954 -33.9108 22.6413 13.9748 TIMING: 4260200 CPU: 12658.3, 0.00294787/step Wall: 12658.3, 0.00294787/step, 0.605788 hours remaining, 208.527344 MB of memory in use. ENERGY: 4260200 737.6656 2092.0725 1939.6345 109.9848 -206456.2267 17932.0859 0.0000 0.0000 34286.5793 -149358.2041 299.4332 -183644.7833 -149269.7355 298.7326 106.5540 137.3605 556807.9652 -10.0001 -9.9705 LDB: ============= START OF LOAD BALANCING ============== 12661.9 LDB: ============== END OF LOAD BALANCING =============== 12661.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12661.9 LDB: ============= START OF LOAD BALANCING ============== 12662.2 LDB: Largest compute 4801 load 0.022711 is 19.2% of average load 0.118288 LDB: Average compute 0.001741 is 1.5% of average load 0.118288 LDB: TIME 12662.2 LOAD: AVG 0.118288 MAX 0.197754 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.734 MB LDB: TIME 12662.2 LOAD: AVG 0.118288 MAX 0.197754 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.797 MB LDB: TIME 12662.2 LOAD: AVG 0.118288 MAX 0.197754 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.797 MB LDB: ============== END OF LOAD BALANCING =============== 12662.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12662.2 PRESSURE: 4260400 236.664 110.297 -88.8811 110.296 213.181 104.31 -88.8811 104.311 61.1956 GPRESSURE: 4260400 248.129 60.7789 -23.3905 112.041 243.215 9.54686 -148.657 218.717 113.956 PRESSAVG: 4260400 -33.7854 72.67 23.0978 72.6701 84.4828 16.4279 23.0978 16.4279 -36.1296 GPRESSAVG: 4260400 -34.0375 73.1355 23.634 73.9121 85.6615 15.5321 23.6914 16.7974 -37.4981 TIMING: 4260400 CPU: 12658.9, 0.00300368/step Wall: 12658.9, 0.00300368/step, 0.617089 hours remaining, 208.457031 MB of memory in use. ENERGY: 4260400 753.2963 2118.2557 1933.6216 120.6765 -206480.7503 18042.0662 0.0000 0.0000 34221.5215 -149291.3125 298.8651 -183512.8340 -149201.2172 299.1079 170.3469 201.7668 555617.7019 4.8559 4.7086 PRESSURE: 4260600 13.7598 277.409 -66.2189 277.408 -39.2401 -85.5665 -66.2199 -85.5672 22.1944 GPRESSURE: 4260600 123.436 237.233 -79.6153 261.046 -0.61818 -19.8695 -49.5002 -141.745 -28.4916 PRESSAVG: 4260600 -95.0764 24.5766 3.47095 24.5766 34.807 -39.515 3.47101 -39.515 54.7315 GPRESSAVG: 4260600 -94.6266 23.6604 2.63901 25.4414 34.2418 -39.936 4.68063 -39.5039 55.2326 TIMING: 4260600 CPU: 12659.5, 0.00292487/step Wall: 12659.5, 0.00292487/step, 0.600735 hours remaining, 208.457031 MB of memory in use. ENERGY: 4260600 745.8196 2052.7291 1940.0675 134.4161 -205992.7322 17547.4008 0.0000 0.0000 34281.4904 -149290.8087 299.3888 -183572.2991 -149197.1456 299.4079 -1.0953 31.4421 555673.8389 -1.8460 -1.7174 PRESSURE: 4260800 95.9722 1.15198 41.0211 1.15284 -106.648 142.474 41.0198 142.472 -206.265 GPRESSURE: 4260800 155.595 -93.1626 96.8987 29.8351 -74.3405 196.448 -40.2316 137.927 -204.352 PRESSAVG: 4260800 17.6965 41.8098 -33.5017 41.8098 -15.9257 3.61498 -33.5018 3.61495 -10.7269 GPRESSAVG: 4260800 16.385 42.1216 -31.2456 41.779 -15.1603 3.87906 -36.7518 6.25218 -10.3171 TIMING: 4260800 CPU: 12660.1, 0.00292418/step Wall: 12660.1, 0.00292418/step, 0.600432 hours remaining, 208.457031 MB of memory in use. ENERGY: 4260800 723.9166 2119.5933 1939.2917 122.8263 -205944.2777 17697.6017 0.0000 0.0000 34122.1616 -149218.8865 297.9973 -183341.0481 -149125.2279 299.6675 -72.3135 -41.0324 556723.4487 -2.9854 -3.0308 PRESSURE: 4261000 98.0091 37.4198 333.376 37.4212 32.7741 -150.187 333.375 -150.187 216.509 GPRESSURE: 4261000 109.04 -9.52573 363.338 82.8667 90.4394 -150.142 312.946 -131.394 234.996 PRESSAVG: 4261000 -30.3107 -45.2077 -34.6953 -45.2078 -17.9023 -32.349 -34.6953 -32.349 49.0459 GPRESSAVG: 4261000 -29.5263 -44.9118 -36.7597 -44.7891 -18.1202 -32.7792 -31.6831 -33.889 48.9706 TIMING: 4261000 CPU: 12660.7, 0.0029183/step Wall: 12660.7, 0.0029183/step, 0.599063 hours remaining, 208.457031 MB of memory in use. ENERGY: 4261000 750.4922 2049.6015 1925.3912 119.1787 -206269.7911 17837.7401 0.0000 0.0000 34274.0401 -149313.3473 299.3237 -183587.3873 -149212.1681 299.2630 115.7641 144.8250 554928.8049 0.2776 0.4414 PRESSURE: 4261200 -76.2047 -57.9944 76.2692 -57.9942 71.8341 148.252 76.2692 148.253 243.519 GPRESSURE: 4261200 5.4875 -86.5588 87.2019 -63.5132 89.6525 189.376 59.3469 205.599 249.742 PRESSAVG: 4261200 -54.8533 8.67519 6.59178 8.67517 3.7434 -4.53787 6.5918 -4.53784 49.2113 GPRESSAVG: 4261200 -54.5555 8.45387 6.7388 8.62751 3.67149 -4.38877 5.35685 -4.83901 49.4149 TIMING: 4261200 CPU: 12661.3, 0.00292628/step Wall: 12661.3, 0.00292628/step, 0.600538 hours remaining, 208.457031 MB of memory in use. ENERGY: 4261200 719.3444 2064.8695 1932.4035 116.4491 -206529.7936 18065.8686 0.0000 0.0000 34384.4568 -149246.4017 300.2880 -183630.8586 -149140.3063 299.5400 79.7161 114.9606 558606.4681 -0.6329 -0.4897 PRESSURE: 4261400 -48.7806 189.06 86.7292 189.06 -259.293 -58.6939 86.729 -58.6944 -39.8176 GPRESSURE: 4261400 -42.3259 190.094 81.2825 123.401 -181.412 -81.9765 141.476 27.3584 -28.0925 PRESSAVG: 4261400 -5.05812 -30.1044 32.5462 -30.1043 23.3995 -42.4164 32.5461 -42.4165 -41.7701 GPRESSAVG: 4261400 -6.21789 -29.4784 33.957 -30.1405 23.4092 -39.2363 31.8064 -44.1798 -41.3655 TIMING: 4261400 CPU: 12661.9, 0.00294228/step Wall: 12661.9, 0.00294228/step, 0.603658 hours remaining, 208.457031 MB of memory in use. ENERGY: 4261400 741.2016 2094.1063 1932.1108 117.4442 -206141.8339 17811.6254 0.0000 0.0000 33963.4318 -149481.9137 296.6111 -183445.3455 -149385.2055 298.6696 -115.9638 -83.9436 556919.7661 -7.8096 -8.0581 PRESSURE: 4261600 -210.456 -117.322 -4.47991 -117.323 -50.5695 -185.345 -4.48001 -185.346 -275.1 GPRESSURE: 4261600 -176.832 -147.816 -63.2357 -48.3521 -7.86364 -199.783 26.5629 -134.906 -270.303 PRESSAVG: 4261600 1.50803 50.2769 20.9518 50.2769 -40.6721 -49.2238 20.9519 -49.2239 4.39279 GPRESSAVG: 4261600 0.957689 48.799 18.6559 49.5567 -39.8751 -50.324 23.4301 -47.8182 3.72863 TIMING: 4261600 CPU: 12662.4, 0.00293196/step Wall: 12662.4, 0.00293196/step, 0.601378 hours remaining, 208.457031 MB of memory in use. ENERGY: 4261600 750.5232 2105.0293 1946.6247 118.6861 -205885.4188 17520.5625 0.0000 0.0000 34159.6057 -149284.3872 298.3243 -183443.9929 -149189.5539 298.2397 -178.7086 -151.6663 558709.1954 -11.5904 -11.7296 PRESSURE: 4261800 -139.689 -102.92 -182.612 -102.92 307.487 -34.9932 -182.613 -34.9939 155.843 GPRESSURE: 4261800 -84.2717 -59.0555 -371.172 -75.0398 272.731 -24.8101 -35.2526 19.9571 227.957 PRESSAVG: 4261800 14.6567 -27.2749 -39.8317 -27.2749 32.8171 50.4945 -39.8317 50.4944 -25.1867 GPRESSAVG: 4261800 15.6278 -26.03 -38.7163 -27.9797 30.9525 48.6642 -40.8878 49.6551 -24.9076 TIMING: 4261800 CPU: 12663, 0.00293771/step Wall: 12663, 0.00293771/step, 0.602393 hours remaining, 208.457031 MB of memory in use. ENERGY: 4261800 762.7212 2024.0810 1949.4682 96.8173 -206482.8852 18016.6813 0.0000 0.0000 34498.5098 -149134.6063 301.2841 -183633.1161 -149035.7549 298.4389 107.8803 138.8053 555721.8547 7.4290 7.2242 PRESSURE: 4262000 28.1093 -185.681 2.14609 -185.682 44.1341 -13.2401 2.14668 -13.2399 -94.2693 GPRESSURE: 4262000 65.837 -70.2734 -10.924 -226.423 75.282 -36.7371 -21.2377 3.09407 -77.6065 PRESSAVG: 4262000 1.51688 -6.48521 -11.2378 -6.48516 -7.17395 -4.91779 -11.2376 -4.91782 2.91028 GPRESSAVG: 4262000 1.31396 -6.03402 -12.3843 -4.39266 -6.16459 -3.62661 -11.2553 -4.26739 2.23955 TIMING: 4262000 CPU: 12663.6, 0.00292497/step Wall: 12663.6, 0.00292497/step, 0.599619 hours remaining, 208.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4262000 752.5929 2154.6044 1945.7733 119.6922 -206243.1875 17784.3790 0.0000 0.0000 34255.3481 -149230.7977 299.1605 -183486.1458 -149130.9598 299.3452 -7.3420 21.1709 556644.0132 -0.9156 -0.8704 PRESSURE: 4262200 -150.767 -2.29044 30.0518 -2.29024 -151.529 8.67303 30.0505 8.67217 0.0968796 GPRESSURE: 4262200 -177.52 10.4024 68.7783 56.8841 -92.7305 4.0623 56.23 -34.9364 73.2023 PRESSAVG: 4262200 -3.18908 -31.3381 -31.575 -31.3381 -21.1349 -0.0774695 -31.575 -0.0774692 -12.4702 GPRESSAVG: 4262200 -3.06271 -30.5691 -32.8912 -31.9752 -20.871 -4.27831 -31.5932 2.07998 -12.11 TIMING: 4262200 CPU: 12664.2, 0.00292887/step Wall: 12664.2, 0.00292887/step, 0.600256 hours remaining, 208.457031 MB of memory in use. ENERGY: 4262200 760.6662 2070.6442 1945.9752 120.7369 -206278.1650 17791.1075 0.0000 0.0000 34623.9164 -148965.1186 302.3793 -183589.0350 -148861.1651 299.9524 -100.7329 -65.6826 557819.4319 -12.2647 -12.0146 PRESSURE: 4262400 -129.62 -58.129 -44.0184 -58.1286 -191.347 -24.6512 -44.0169 -24.6489 41.5235 GPRESSURE: 4262400 -48.2152 -49.4153 -13.7065 31.5092 -175.328 33.8147 3.37413 -74.9937 52.3705 PRESSAVG: 4262400 46.4113 16.3027 -10.9144 16.3027 -37.3669 19.0632 -10.9144 19.0633 -18.0016 GPRESSAVG: 4262400 47.5935 14.7376 -9.92472 15.8849 -37.8345 24.2152 -9.96244 14.356 -18.4157 TIMING: 4262400 CPU: 12664.8, 0.0029375/step Wall: 12664.8, 0.0029375/step, 0.601861 hours remaining, 208.457031 MB of memory in use. ENERGY: 4262400 762.1763 2069.3830 1931.3121 115.2070 -205939.8822 17748.3038 0.0000 0.0000 34355.7119 -148957.7880 300.0370 -183313.4999 -148856.3103 300.1329 -93.1478 -57.0577 557452.2891 -2.9857 -2.8856 PRESSURE: 4262600 -118.892 54.2768 73.8768 54.2761 -55.3181 54.3198 73.8768 54.3207 -179.733 GPRESSURE: 4262600 -152.917 77.1195 27.476 16.7857 17.7913 -4.27156 68.2811 115.653 -113.574 PRESSAVG: 4262600 7.15184 8.29282 3.23791 8.29288 -40.2359 2.22789 3.23778 2.2279 16.3034 GPRESSAVG: 4262600 6.66233 10.0962 4.041 8.92413 -40.7893 -0.359818 2.92223 5.09047 18.0208 TIMING: 4262600 CPU: 12665.4, 0.00293257/step Wall: 12665.4, 0.00293257/step, 0.600687 hours remaining, 208.457031 MB of memory in use. ENERGY: 4262600 697.2900 2088.9353 1943.3691 100.9375 -205800.3475 17590.8064 0.0000 0.0000 34260.8209 -149118.1883 299.2083 -183379.0092 -149012.0605 299.3003 -117.9811 -82.9000 558566.5500 -5.5936 -5.3687 PRESSURE: 4262800 -78.3135 -68.8738 86.1483 -68.8722 -77.0465 33.1881 86.1506 33.1878 -241.46 GPRESSURE: 4262800 -77.9205 -135.083 80.4485 -53.6772 -43.7645 43.2518 103.099 11.3705 -183.841 PRESSAVG: 4262800 -37.685 21.5771 11.9347 21.5771 -15.4553 -12.584 11.9348 -12.5839 22.547 GPRESSAVG: 4262800 -37.6034 19.8645 11.8487 22.452 -15.2119 -10.8553 10.1838 -11.4673 22.3771 TIMING: 4262800 CPU: 12666, 0.00292728/step Wall: 12666, 0.00292728/step, 0.599441 hours remaining, 208.457031 MB of memory in use. ENERGY: 4262800 772.0811 2084.4364 1927.0178 111.5277 -206012.6308 17682.0847 0.0000 0.0000 34168.6919 -149266.7911 298.4037 -183435.4830 -149169.0115 299.1697 -132.2734 -101.8421 556284.0064 -10.1978 -10.1461 PRESSURE: 4263000 -64.4586 6.02265 40.1028 6.02318 -102.21 -27.1268 40.1032 -27.1259 -129.167 GPRESSURE: 4263000 43.2399 109.086 -20.0141 -28.4589 -102.819 -18.3578 98.6793 -34.7238 -138.068 PRESSAVG: 4263000 -29.1949 7.86766 -1.6625 7.86779 -27.7525 -16.428 -1.66255 -16.4279 46.7787 GPRESSAVG: 4263000 -27.9262 9.77232 -1.78731 5.08838 -28.4785 -16.8455 -1.45601 -18.388 46.6396 TIMING: 4263000 CPU: 12666.6, 0.00291825/step Wall: 12666.6, 0.00291825/step, 0.59743 hours remaining, 208.457031 MB of memory in use. ENERGY: 4263000 717.6425 2112.8373 1953.5637 113.4640 -205913.8933 17482.1407 0.0000 0.0000 34300.5376 -149233.7077 299.5551 -183534.2453 -149135.3904 299.3587 -98.6118 -65.8823 556951.8146 -3.3896 -3.2550 PRESSURE: 4263200 -308.307 69.8247 -105.034 69.8258 -129.333 61.0043 -105.034 61.0034 -62.6848 GPRESSURE: 4263200 -294.314 129.648 -150.418 55.9699 -50.8077 185.231 -45.8553 -33.9338 -45.6626 PRESSAVG: 4263200 -10.4248 -26.9806 26.7433 -26.9806 35.7946 45.1884 26.7431 45.1884 46.7631 GPRESSAVG: 4263200 -11.6526 -27.8422 28.3495 -27.2992 37.0639 45.3037 27.6483 43.8533 47.1073 TIMING: 4263200 CPU: 12667.1, 0.00292831/step Wall: 12667.1, 0.00292831/step, 0.599328 hours remaining, 208.457031 MB of memory in use. ENERGY: 4263200 761.8257 2034.8884 1945.1024 104.3301 -205888.5166 17439.7181 0.0000 0.0000 34272.8953 -149329.7565 299.3137 -183602.6518 -149225.9054 299.5599 -166.7750 -130.2614 556468.4621 24.0443 24.1729 PRESSURE: 4263400 -119.858 121.266 -131.838 121.265 117.599 190.609 -131.839 190.609 -107.832 GPRESSURE: 4263400 -89.5382 86.8963 -31.5879 125.937 136.524 229.539 -140.621 212.838 -60.7743 PRESSAVG: 4263400 9.00693 66.2434 -37.4486 66.2433 34.7024 28.2548 -37.4485 28.2548 -15.1901 GPRESSAVG: 4263400 9.11593 66.6844 -37.3266 69.2205 33.4914 27.712 -40.4284 29.8487 -15.0137 TIMING: 4263400 CPU: 12667.7, 0.00293227/step Wall: 12667.7, 0.00293227/step, 0.599975 hours remaining, 208.457031 MB of memory in use. ENERGY: 4263400 793.5403 2081.0825 2008.7961 111.0673 -206196.4523 17856.1056 0.0000 0.0000 34139.3102 -149206.5504 298.1471 -183345.8606 -149118.4538 299.2483 -36.6973 -4.5962 556939.6129 9.5064 9.1979 PRESSURE: 4263600 -243.452 119.254 -10.496 119.254 5.69452 84.5375 -10.4961 84.5359 -314.368 GPRESSURE: 4263600 -221.596 54.4926 13.9389 98.9769 20.4907 47.2674 -52.347 101.768 -259.366 PRESSAVG: 4263600 1.45427 58.7198 56.827 58.7198 -5.95992 -18.8828 56.827 -18.8829 -23.3015 GPRESSAVG: 4263600 1.65368 59.5687 56.2607 56.6343 -4.53127 -18.6794 59.5708 -19.6906 -24.8962 TIMING: 4263600 CPU: 12668.3, 0.00292162/step Wall: 12668.3, 0.00292162/step, 0.597635 hours remaining, 208.457031 MB of memory in use. ENERGY: 4263600 747.9573 2036.8747 1975.3763 117.9040 -205741.5973 17494.6869 0.0000 0.0000 34054.5461 -149314.2519 297.4068 -183368.7980 -149225.2846 298.6407 -184.0417 -153.4907 558568.2274 -9.2690 -9.2579 PRESSURE: 4263800 -187.358 -56.2211 94.7008 -56.2216 -193.161 -33.432 94.7012 -33.4325 26.0665 GPRESSURE: 4263800 -159.586 -31.0795 48.7102 33.7415 -135.374 -35.5332 163.064 33.7279 40.2341 PRESSAVG: 4263800 -59.957 37.323 29.9153 37.323 18.3128 -3.23297 29.9152 -3.23288 58.886 GPRESSAVG: 4263800 -59.7504 36.3453 29.9309 38.7355 18.5626 -1.72149 28.8483 -3.39455 58.8105 TIMING: 4263800 CPU: 12668.9, 0.0029394/step Wall: 12668.9, 0.0029394/step, 0.601107 hours remaining, 208.457031 MB of memory in use. ENERGY: 4263800 793.2968 2099.0303 1924.6045 106.7319 -205988.2876 17655.9995 0.0000 0.0000 34084.1507 -149324.4739 297.6654 -183408.6247 -149230.7909 298.8046 -118.1509 -84.9087 557389.8977 5.7472 5.8742 PRESSURE: 4264000 27.7871 -31.236 -92.4259 -31.2348 -54.7219 -53.4612 -92.4266 -53.4609 74.1071 GPRESSURE: 4264000 73.6914 -50.0191 -93.713 37.1385 11.4334 -100.531 -144.872 -45.3847 55.4469 PRESSAVG: 4264000 32.2889 -26.5788 22.6714 -26.5788 -29.8402 5.84402 22.6715 5.84396 32.518 GPRESSAVG: 4264000 32.7498 -25.2681 21.2084 -27.74 -30.2127 4.05848 23.1073 7.64319 32.4049 TIMING: 4264000 CPU: 12669.5, 0.00296371/step Wall: 12669.5, 0.00296371/step, 0.605914 hours remaining, 208.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4264000 731.9886 2118.9438 1952.0301 112.4122 -206449.8282 17918.6597 0.0000 0.0000 34300.7780 -149315.0158 299.5572 -183615.7938 -149216.7336 299.7274 15.7241 46.8572 556393.1919 11.6556 11.6473 PRESSURE: 4264200 -112.243 14.3984 92.4936 14.3978 7.02842 20.9633 92.4917 20.9636 -289.526 GPRESSURE: 4264200 -101.473 -2.19706 96.7292 97.0641 31.7269 14.4325 49.8207 60.5928 -227.834 PRESSAVG: 4264200 -36.674 30.3306 -22.6473 30.3306 -3.7967 1.0168 -22.6472 1.01685 39.1014 GPRESSAVG: 4264200 -36.5546 29.5735 -21.4683 32.6338 -4.97102 0.93364 -23.7378 1.42477 39.5169 TIMING: 4264200 CPU: 12670.1, 0.00295394/step Wall: 12670.1, 0.00295394/step, 0.603752 hours remaining, 208.457031 MB of memory in use. ENERGY: 4264200 731.8125 2064.7145 1936.2526 109.3815 -206312.5756 17878.3567 0.0000 0.0000 34229.8696 -149362.1884 298.9380 -183592.0579 -149260.1507 299.9157 -131.5804 -99.1933 558991.8558 -0.4564 -0.6696 LDB: ============= START OF LOAD BALANCING ============== 12673.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12673.6 LDB: =============== DONE WITH MIGRATION ================ 12673.6 LDB: ============= START OF LOAD BALANCING ============== 12673.9 LDB: Largest compute 4801 load 0.023061 is 19.5% of average load 0.118233 LDB: Average compute 0.001737 is 1.5% of average load 0.118233 LDB: TIME 12673.9 LOAD: AVG 0.118233 MAX 0.196558 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.527 MB LDB: TIME 12673.9 LOAD: AVG 0.118233 MAX 0.196558 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.73 MB LDB: TIME 12673.9 LOAD: AVG 0.118233 MAX 0.196558 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.73 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12673.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12673.9 PRESSURE: 4264400 19.3124 -57.6575 -128.283 -57.6576 -282.055 -168.746 -128.282 -168.746 -53.9689 GPRESSURE: 4264400 39.2758 -176.159 -182.153 8.45289 -231.982 -166.032 -114.806 -91.082 -18.6876 PRESSAVG: 4264400 -29.9156 -39.0187 42.3723 -39.0186 15.1791 -0.268983 42.3723 -0.269001 17.6799 GPRESSAVG: 4264400 -31.0802 -38.9693 39.4496 -41.6915 17.6689 0.26826 44.8825 -0.819239 16.5788 TIMING: 4264400 CPU: 12670.7, 0.00300636/step Wall: 12670.7, 0.00300636/step, 0.6143 hours remaining, 207.476562 MB of memory in use. ENERGY: 4264400 740.3674 2043.4684 1949.3684 114.5273 -205978.4213 17603.1488 0.0000 0.0000 34478.0222 -149049.5188 301.1051 -183527.5410 -148953.4019 299.2693 -105.5704 -70.4646 557187.9379 0.9811 1.0558 PRESSURE: 4264600 -92.1809 41.6054 129.347 41.6056 -65.4267 44.3573 129.347 44.3563 77.3676 GPRESSURE: 4264600 -100.724 116.564 113.423 12.0427 28.3059 64.8019 155.217 46.1441 101.357 PRESSAVG: 4264600 -55.0973 -25.6697 25.2673 -25.6696 -34.7112 -24.6628 25.2674 -24.6627 72.283 GPRESSAVG: 4264600 -53.9986 -25.2964 27.8812 -26.3504 -36.2187 -23.7664 23.9208 -24.074 72.7488 TIMING: 4264600 CPU: 12671.3, 0.00294046/step Wall: 12671.3, 0.00294046/step, 0.600671 hours remaining, 207.476562 MB of memory in use. ENERGY: 4264600 759.1956 2026.1662 1957.8879 110.4606 -205937.2433 17707.5330 0.0000 0.0000 34261.1747 -149114.8253 299.2114 -183376.0000 -149015.4760 299.5801 -26.7467 9.6466 557609.0240 -5.8418 -5.8229 PRESSURE: 4264800 223.996 -102.382 -170.513 -102.381 -89.1291 140.855 -170.513 140.856 -85.9203 GPRESSURE: 4264800 175.447 -132.312 -197.619 -126.799 6.50471 104.394 -236.245 74.9413 -46.583 PRESSAVG: 4264800 -5.71697 50.1028 -2.7492 50.1028 -5.68848 4.41671 -2.74931 4.4166 7.79664 GPRESSAVG: 4264800 -6.8725 48.2236 -4.84211 51.6641 -5.50034 2.52995 -2.10661 2.56653 8.61623 TIMING: 4264800 CPU: 12671.9, 0.00294499/step Wall: 12671.9, 0.00294499/step, 0.601432 hours remaining, 207.476562 MB of memory in use. ENERGY: 4264800 719.7431 2111.0891 1920.3218 118.3584 -205911.7016 17628.3057 0.0000 0.0000 34224.5943 -149189.2893 298.8919 -183413.8836 -149096.6039 299.2587 16.3154 45.1229 556237.8781 -1.2029 -1.2522 PRESSURE: 4265000 -292.161 39.6286 -99.2608 39.628 -101.714 102.116 -99.2618 102.117 -16.6035 GPRESSURE: 4265000 -216.833 -62.5996 -18.1595 161.751 -100.301 108.482 -67.6011 152.604 12.0107 PRESSAVG: 4265000 15.9053 21.2724 -46.5216 21.2724 -6.79339 45.5098 -46.5216 45.5097 23.2025 GPRESSAVG: 4265000 14.2277 22.7283 -43.0544 21.0981 -5.52014 45.8081 -47.1885 47.1054 23.589 TIMING: 4265000 CPU: 12672.4, 0.00292838/step Wall: 12672.4, 0.00292838/step, 0.597878 hours remaining, 207.476562 MB of memory in use. ENERGY: 4265000 739.6675 2048.6957 1937.9564 107.8684 -205882.3459 17590.2751 0.0000 0.0000 34314.9770 -149142.9059 299.6812 -183457.8829 -149047.7600 299.6197 -136.8261 -101.7076 558254.7902 10.7715 10.7655 PRESSURE: 4265200 -43.0105 81.1911 -38.2548 81.1907 72.3134 -54.7546 -38.2541 -54.7546 -0.559153 GPRESSURE: 4265200 -32.0654 44.1484 21.4691 93.0676 75.1917 65.2361 -55.1184 -69.7663 74.5698 PRESSAVG: 4265200 -13.7164 -38.8285 -54.1054 -38.8284 -14.8097 -33.772 -54.1054 -33.772 -25.3097 GPRESSAVG: 4265200 -12.5237 -39.4396 -56.388 -39.6982 -14.9436 -32.6078 -52.3692 -33.7711 -25.9988 TIMING: 4265200 CPU: 12673, 0.00295874/step Wall: 12673, 0.00295874/step, 0.603911 hours remaining, 207.476562 MB of memory in use. ENERGY: 4265200 752.6712 2112.2044 1927.7097 113.5561 -206155.8264 17923.0357 0.0000 0.0000 34158.2685 -149168.3807 298.3127 -183326.6492 -149071.2024 299.7519 9.5812 39.2320 557035.1039 -17.9453 -17.8221 PRESSURE: 4265400 -99.6242 -57.8869 -3.3222 -57.8865 -84.6419 -246.87 -3.32219 -246.869 117.213 GPRESSURE: 4265400 -97.3571 -141.007 -29.9669 -0.382745 -27.6552 -274.618 126.612 -198.299 142.979 PRESSAVG: 4265400 26.2594 -28.0436 -39.8594 -28.0436 -7.01124 11.1959 -39.8593 11.1957 -7.80219 GPRESSAVG: 4265400 26.7208 -28.0935 -37.6145 -25.6389 -8.25148 11.9003 -42.1765 11.6041 -6.50707 TIMING: 4265400 CPU: 12673.6, 0.00294687/step Wall: 12673.6, 0.00294687/step, 0.601326 hours remaining, 207.476562 MB of memory in use. ENERGY: 4265400 791.1371 2082.1599 1917.9745 118.5045 -206089.7570 17831.3138 0.0000 0.0000 34195.8565 -149152.8108 298.6409 -183348.6673 -149055.4939 300.0244 -22.3509 5.9890 556535.4680 3.8153 3.9874 PRESSURE: 4265600 -163.629 -118.905 31.9913 -118.905 -210.35 -115.994 31.9909 -115.994 -37.1978 GPRESSURE: 4265600 -109.823 -47.4045 31.0255 -160.545 -209.477 -141.852 56.5282 -72.3375 -14.4738 PRESSAVG: 4265600 -70.6513 -38.1184 -25.1499 -38.1184 41.753 -38.0527 -25.1499 -38.0527 53.6526 GPRESSAVG: 4265600 -69.7765 -38.431 -26.9997 -39.213 42.1912 -38.759 -24.7707 -39.0964 52.5078 TIMING: 4265600 CPU: 12674.2, 0.00293651/step Wall: 12674.2, 0.00293651/step, 0.599048 hours remaining, 207.476562 MB of memory in use. ENERGY: 4265600 767.4568 2087.3433 1930.8522 103.1361 -205683.1002 17616.7510 0.0000 0.0000 34388.7260 -148788.8349 300.3253 -183177.5609 -148694.2214 300.3214 -137.0589 -111.2580 558020.2712 8.2514 8.3075 PRESSURE: 4265800 -56.6259 27.0755 58.373 27.0776 -236.392 39.447 58.3728 39.4465 77.7196 GPRESSURE: 4265800 -41.1115 43.4528 29.53 5.20548 -212.542 56.6415 50.5791 54.1889 141.22 PRESSAVG: 4265800 -3.87159 40.0191 -29.0896 40.0191 21.3186 -11.6172 -29.0895 -11.6172 1.01905 GPRESSAVG: 4265800 -4.25051 40.6988 -31.1416 36.4856 20.9182 -10.3319 -26.9902 -12.9251 2.20893 TIMING: 4265800 CPU: 12674.8, 0.00294709/step Wall: 12674.8, 0.00294709/step, 0.601043 hours remaining, 207.476562 MB of memory in use. ENERGY: 4265800 736.7285 2095.7456 1928.3340 111.7899 -206182.5314 17714.8977 0.0000 0.0000 34705.5855 -148889.4503 303.0925 -183595.0358 -148794.3099 300.5571 -71.7660 -37.4778 557690.3776 6.1553 6.2922 PRESSURE: 4266000 -94.1864 -53.1248 -157.113 -53.1259 105.093 -146.513 -157.114 -146.511 -194.939 GPRESSURE: 4266000 -73.4408 30.4295 -165.814 -0.195739 155.446 -78.0395 -142.34 -194.884 -156.209 PRESSAVG: 4266000 -17.296 -7.799 -45.659 -7.79908 21.5525 6.67828 -45.6591 6.67826 24.5647 GPRESSAVG: 4266000 -17.8267 -5.95773 -42.5245 -4.1966 22.6082 5.45719 -47.323 8.67546 24.1756 TIMING: 4266000 CPU: 12675.4, 0.00294193/step Wall: 12675.4, 0.00294193/step, 0.599827 hours remaining, 207.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4266000 753.1458 2116.3062 1931.6784 109.0169 -205848.0540 17627.6230 0.0000 0.0000 34365.2195 -148945.0642 300.1200 -183310.2837 -148847.7661 300.3153 -61.3441 -24.7346 557828.6615 9.6071 9.6524 PRESSURE: 4266200 -154.579 174.971 -93.4101 174.971 -231.847 21.7352 -93.4104 21.7332 -59.4549 GPRESSURE: 4266200 -87.9428 229.515 -92.2579 150.627 -228.296 -52.3249 -5.84054 68.3009 -35.9613 PRESSAVG: 4266200 -3.70607 21.4806 -22.163 21.4807 28.5176 -5.64136 -22.163 -5.64149 -17.7327 GPRESSAVG: 4266200 -2.81215 21.1787 -23.6388 20.3847 29.0082 -5.30661 -21.6507 -6.14262 -18.9504 TIMING: 4266200 CPU: 12676, 0.00294264/step Wall: 12676, 0.00294264/step, 0.599808 hours remaining, 207.476562 MB of memory in use. ENERGY: 4266200 739.5030 2137.5053 1927.5212 119.1250 -206042.7186 17631.0658 0.0000 0.0000 34381.7960 -149106.2024 300.2648 -183487.9984 -149009.4847 300.1628 -148.6267 -117.4001 558506.8507 2.3596 2.4152 PRESSURE: 4266400 67.7131 58.0508 -17.2732 58.0512 -244.12 -43.5417 -17.2719 -43.5424 -336.146 GPRESSURE: 4266400 60.9111 24.0976 -0.284037 82.1109 -183.428 -38.9059 28.7978 -6.33578 -281.189 PRESSAVG: 4266400 -52.2711 83.1175 -8.37461 83.1176 13.5783 -2.53317 -8.37463 -2.53324 29.364 GPRESSAVG: 4266400 -51.9309 81.6696 -6.78895 84.9477 12.3023 -2.46563 -9.93531 -2.54001 30.3563 TIMING: 4266400 CPU: 12676.6, 0.00291148/step Wall: 12676.6, 0.00291148/step, 0.593295 hours remaining, 207.476562 MB of memory in use. ENERGY: 4266400 743.9939 2121.8634 1968.4024 114.9956 -205876.8356 17482.4910 0.0000 0.0000 34463.2238 -148981.8657 300.9759 -183445.0894 -148881.9574 299.9406 -170.8509 -134.5688 558177.2729 -3.1096 -3.0908 PRESSURE: 4266600 -162.494 -61.9125 8.55278 -61.9133 47.8049 48.7298 8.55371 48.73 224.933 GPRESSURE: 4266600 -86.9158 -88.1369 18.5774 -53.4694 63.2428 68.9711 -5.9569 25.5594 230.729 PRESSAVG: 4266600 14.888 39.5788 18.1005 39.5787 -7.5172 24.5807 18.1005 24.5807 -20.7447 GPRESSAVG: 4266600 15.1359 41.4489 17.7453 36.9298 -7.62763 24.8658 19.8782 25.1711 -20.3148 TIMING: 4266600 CPU: 12677.1, 0.00290114/step Wall: 12677.1, 0.00290114/step, 0.591026 hours remaining, 207.476562 MB of memory in use. ENERGY: 4266600 749.9446 2080.8349 1932.1966 121.0456 -206105.1515 17809.1882 0.0000 0.0000 34358.0825 -149053.8591 300.0577 -183411.9415 -148962.7188 300.0452 36.7480 69.0188 556849.2965 -4.4580 -4.2689 PRESSURE: 4266800 166.004 110.159 -6.9104 110.158 289.549 44.6339 -6.91047 44.6344 116.498 GPRESSURE: 4266800 207.573 262.721 -122.434 27.0058 327.892 9.89729 101.677 36.9868 143.496 PRESSAVG: 4266800 -6.76141 21.7151 28.5989 21.715 17.4094 1.81515 28.5989 1.81513 40.9764 GPRESSAVG: 4266800 -7.53796 21.5578 27.5375 22.546 18.78 2.36448 29.8716 1.00918 40.4878 TIMING: 4266800 CPU: 12677.7, 0.00291662/step Wall: 12677.7, 0.00291662/step, 0.594018 hours remaining, 207.476562 MB of memory in use. ENERGY: 4266800 760.7352 2111.7620 1916.7163 121.5214 -206391.6284 17974.1654 0.0000 0.0000 34291.0122 -149215.7159 299.4719 -183506.7281 -149118.4286 299.7875 190.6835 226.3204 555857.3383 17.2082 17.2433 PRESSURE: 4267000 -28.7694 -79.0892 -28.26 -79.0901 -79.2907 -8.58613 -28.2605 -8.58682 -133.513 GPRESSURE: 4267000 20.3364 -127.8 -70.7114 -64.53 -90.3893 -152.328 -73.4332 31.8529 -86.3011 PRESSAVG: 4267000 -2.36876 12.9602 3.43457 12.9601 -5.02756 18.6594 3.43462 18.6593 12.6893 GPRESSAVG: 4267000 -2.38847 12.6858 4.57351 10.1071 -4.89655 16.6423 1.11865 18.1939 12.3609 TIMING: 4267000 CPU: 12678.3, 0.0029062/step Wall: 12678.3, 0.0029062/step, 0.591734 hours remaining, 207.476562 MB of memory in use. ENERGY: 4267000 750.4126 2081.6383 1938.4679 138.4522 -205939.0326 17610.4569 0.0000 0.0000 34111.5424 -149308.0624 297.9046 -183419.6048 -149215.1762 298.9777 -80.5242 -52.1180 555995.9020 1.7643 1.6920 PRESSURE: 4267200 12.3059 16.582 48.282 16.5818 -131.964 78.7904 48.2834 78.7887 268.203 GPRESSURE: 4267200 116.617 -3.73364 45.5952 58.2408 -147.248 144.761 14.8462 58.2891 277.511 PRESSAVG: 4267200 9.79522 33.0942 1.35712 33.0942 -69.5777 44.1512 1.35711 44.1511 82.5681 GPRESSAVG: 4267200 10.8143 33.4566 0.846292 35.1374 -70.4534 45.0837 1.88262 45.4095 82.5716 TIMING: 4267200 CPU: 12678.9, 0.0029736/step Wall: 12678.9, 0.0029736/step, 0.605292 hours remaining, 207.476562 MB of memory in use. ENERGY: 4267200 725.1706 2089.9081 1922.0444 106.9957 -206405.8849 17952.0329 0.0000 0.0000 34220.6336 -149389.0995 298.8573 -183609.7331 -149292.4252 299.1980 49.5147 82.2934 556077.0977 7.5952 7.6442 PRESSURE: 4267400 -144.34 -74.8731 -113.66 -74.8714 -109.148 128.076 -113.66 128.075 -160.377 GPRESSURE: 4267400 -114.911 -66.1516 -162.108 -185.232 -98.9008 141.694 -99.333 125.845 -109.373 PRESSAVG: 4267400 33.0119 6.89681 27.5463 6.89684 -40.4237 69.9725 27.5463 69.9725 -1.81146 GPRESSAVG: 4267400 32.2801 8.71588 29.1943 5.33033 -40.4059 70.2289 25.0942 71.9127 -0.850683 TIMING: 4267400 CPU: 12679.5, 0.00295744/step Wall: 12679.5, 0.00295744/step, 0.601839 hours remaining, 207.476562 MB of memory in use. ENERGY: 4267400 718.4842 2099.0109 1940.5777 127.6592 -206177.6153 17417.7127 0.0000 0.0000 34251.6037 -149622.5669 299.1278 -183874.1706 -149521.4311 299.1125 -137.9550 -107.7282 556236.1501 -3.0744 -2.9922 PRESSURE: 4267600 92.8277 13.1544 -70.9333 13.1544 -195.885 53.2993 -70.9343 53.2993 -2.86684 GPRESSURE: 4267600 121.856 8.24425 -115.472 43.911 -136.416 133.128 -53.2685 -66.6499 -2.2762 PRESSAVG: 4267600 -3.74111 -33.0232 9.38959 -33.0233 10.3441 35.3078 9.38954 35.3079 0.843492 GPRESSAVG: 4267600 -4.10647 -37.4641 10.5578 -31.1507 11.3818 35.6064 11.4529 33.2338 -0.011561 TIMING: 4267600 CPU: 12680.1, 0.00293188/step Wall: 12680.1, 0.00293188/step, 0.596476 hours remaining, 207.476562 MB of memory in use. ENERGY: 4267600 744.8521 2103.9462 1945.0097 119.9217 -206466.0085 17737.7665 0.0000 0.0000 33985.9225 -149828.5898 296.8075 -183814.5122 -149729.5260 298.2570 -35.3082 -5.6120 555039.2546 2.4822 2.4213 PRESSURE: 4267800 -14.6808 -293.513 34.181 -293.513 67.693 171.637 34.1807 171.639 -198.992 GPRESSURE: 4267800 -28.2765 -383.81 1.50124 -195.891 163.444 72.0397 75.6747 182.215 -174.237 PRESSAVG: 4267800 76.2194 -62.3168 49.281 -62.317 -39.198 75.2018 49.281 75.2017 8.38005 GPRESSAVG: 4267800 75.8615 -60.1373 48.7526 -62.7855 -38.451 73.9632 49.8713 74.764 8.24139 TIMING: 4267800 CPU: 12680.7, 0.00292332/step Wall: 12680.7, 0.00292332/step, 0.59457 hours remaining, 207.476562 MB of memory in use. ENERGY: 4267800 732.1956 2120.4246 1951.4584 119.3450 -206259.0789 17584.8927 0.0000 0.0000 34006.3234 -149744.4391 296.9857 -183750.7625 -149649.6849 298.2357 -48.6600 -13.0231 554324.0055 15.1338 15.2173 PRESSURE: 4268000 -71.6959 -57.9541 112.474 -57.9543 -163.542 -46.8369 112.474 -46.8365 192.461 GPRESSURE: 4268000 -98.9351 -31.6051 53.9776 -102.941 -44.7841 -68.679 162.102 4.8809 210.941 PRESSAVG: 4268000 25.4469 -36.6425 9.27206 -36.6426 5.44663 31.6264 9.27201 31.6264 -7.7512 GPRESSAVG: 4268000 25.8768 -35.4405 7.10667 -36.4249 2.71068 32.4161 8.61319 34.5004 -6.04466 TIMING: 4268000 CPU: 12681.3, 0.00295525/step Wall: 12681.3, 0.00295525/step, 0.600902 hours remaining, 207.476562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4268000 694.4315 2090.9064 1947.3904 109.5789 -206479.7786 17704.8763 0.0000 0.0000 34161.8451 -149770.7500 298.3439 -183932.5951 -149675.9248 297.6364 -14.2591 22.4074 554562.9238 7.7141 7.5143 PRESSURE: 4268200 -66.3207 -77.5536 13.6039 -77.5525 -233.064 84.3969 13.6035 84.3971 -194.193 GPRESSURE: 4268200 -51.09 -27.669 37.2957 -31.1914 -162.224 81.3574 22.4223 81.9992 -174.615 PRESSAVG: 4268200 29.7724 -37.2181 2.99608 -37.218 -66.4939 -29.451 2.99614 -29.4511 34.7782 GPRESSAVG: 4268200 30.6585 -39.3711 2.43471 -36.7577 -65.4389 -28.7901 4.41038 -32.5633 33.1013 TIMING: 4268200 CPU: 12681.8, 0.00292813/step Wall: 12681.8, 0.00292813/step, 0.595223 hours remaining, 207.476562 MB of memory in use. ENERGY: 4268200 725.5579 2121.6453 1955.8466 111.2712 -205958.6694 17571.4135 0.0000 0.0000 33927.6413 -149545.2936 296.2985 -183472.9349 -149461.9950 298.0812 -164.5258 -129.3097 556146.2012 -0.6478 -0.5597 LDB: ============= START OF LOAD BALANCING ============== 12685.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12685.4 LDB: =============== DONE WITH MIGRATION ================ 12685.4 LDB: ============= START OF LOAD BALANCING ============== 12685.7 LDB: Largest compute 4801 load 0.022307 is 18.9% of average load 0.118292 LDB: Average compute 0.001732 is 1.5% of average load 0.118292 LDB: TIME 12685.7 LOAD: AVG 0.118292 MAX 0.195964 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.012 MB LDB: TIME 12685.7 LOAD: AVG 0.118292 MAX 0.195964 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.051 MB LDB: TIME 12685.7 LOAD: AVG 0.118292 MAX 0.195964 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.051 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12685.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12685.7 PRESSURE: 4268400 37.7999 0.193672 36.9137 0.19324 129.788 -41.1356 36.9125 -41.1373 134.468 GPRESSURE: 4268400 44.1877 124.162 57.4804 -125.475 150.782 -33.6534 61.1241 -85.7332 209.295 PRESSAVG: 4268400 -62.1194 50.4462 7.55552 50.4461 37.1722 -11.6747 7.55546 -11.6747 22.8104 GPRESSAVG: 4268400 -61.5057 51.8342 8.47149 50.2709 37.6908 -12.8889 4.65315 -10.3643 22.1566 TIMING: 4268400 CPU: 12682.4, 0.00296786/step Wall: 12682.4, 0.00296786/step, 0.603135 hours remaining, 208.691406 MB of memory in use. ENERGY: 4268400 744.9321 2102.1154 1919.4025 111.4321 -206416.2013 18029.0327 0.0000 0.0000 33896.1916 -149613.0949 296.0239 -183509.2865 -149517.6844 298.8334 100.6853 134.7551 554470.8816 -0.7123 -0.5528 PRESSURE: 4268600 -87.085 38.198 -42.6602 38.1958 -250.804 -69.6836 -42.6604 -69.6853 -143.555 GPRESSURE: 4268600 -56.6882 49.9621 10.3722 -0.512231 -209.146 -137.095 -77.8447 -27.0201 -111.365 PRESSAVG: 4268600 -26.1928 6.25634 24.3292 6.25625 -7.29784 -24.3772 24.3293 -24.3773 13.4786 GPRESSAVG: 4268600 -27.8807 6.91899 24.7892 5.58221 -8.10466 -24.9526 26.2908 -24.9817 16.0926 TIMING: 4268600 CPU: 12683, 0.00293462/step Wall: 12683, 0.00293462/step, 0.596216 hours remaining, 208.894531 MB of memory in use. ENERGY: 4268600 736.5536 2035.9553 1929.3363 117.1135 -206078.4460 17484.3357 0.0000 0.0000 34338.6605 -149436.4911 299.8881 -183775.1516 -149340.7941 298.3563 -160.4812 -125.7329 556948.2445 -6.6707 -6.6309 PRESSURE: 4268800 -172.37 170.709 -101.37 170.709 162.161 31.8052 -101.37 31.805 -74.1496 GPRESSURE: 4268800 -135.864 165.905 -27.11 118.343 186.37 -7.25169 -102.397 -7.8314 -55.2144 PRESSAVG: 4268800 24.7949 21.786 -2.47368 21.786 -19.8057 -62.46 -2.47355 -62.46 7.04814 GPRESSAVG: 4268800 24.5421 20.6937 -2.13626 20.3799 -19.1267 -61.9356 -2.09245 -60.858 5.8872 TIMING: 4268800 CPU: 12683.6, 0.00293903/step Wall: 12683.6, 0.00293903/step, 0.59695 hours remaining, 208.894531 MB of memory in use. ENERGY: 4268800 724.7318 2078.4671 1921.9938 98.4040 -206060.8513 17641.6928 0.0000 0.0000 34103.5393 -149492.0225 297.8347 -183595.5618 -149395.1440 298.5578 -28.1195 -1.5694 555275.8112 4.0124 3.7675 PRESSURE: 4269000 49.6983 2.29483 -122.043 2.29478 130.558 -8.22197 -122.043 -8.22163 -83.7083 GPRESSURE: 4269000 95.6329 52.7111 -182.604 17.7525 148.994 0.431335 -111.274 -14.0031 -52.8055 PRESSAVG: 4269000 29.1597 40.3367 14.5221 40.3367 -3.48521 2.95985 14.5222 2.95986 -41.5633 GPRESSAVG: 4269000 29.4269 38.5761 15.0155 43.3173 -3.08064 1.20606 14.0657 3.39194 -41.7618 TIMING: 4269000 CPU: 12684.2, 0.00292388/step Wall: 12684.2, 0.00292389/step, 0.593711 hours remaining, 208.894531 MB of memory in use. ENERGY: 4269000 706.4949 2093.3016 1922.4745 117.5466 -206427.5905 17930.4007 0.0000 0.0000 34078.5422 -149578.8301 297.6164 -183657.3723 -149481.0249 298.3458 32.1827 63.9404 555503.4149 -5.2963 -5.1385 PRESSURE: 4269200 -41.1291 -136.525 -99.7316 -136.527 428.435 -100.011 -99.7306 -100.011 148.042 GPRESSURE: 4269200 20.0317 -95.0267 -130.562 -204.528 430.59 -130.349 -70.2476 -67.9457 179.41 PRESSAVG: 4269200 -58.391 5.23367 -19.8453 5.23361 54.1567 0.447718 -19.8453 0.447799 -13.0097 GPRESSAVG: 4269200 -58.4324 8.32618 -21.6863 2.04141 53.3143 1.14196 -19.4761 1.34325 -12.2961 TIMING: 4269200 CPU: 12684.8, 0.0029361/step Wall: 12684.8, 0.0029361/step, 0.596028 hours remaining, 208.894531 MB of memory in use. ENERGY: 4269200 751.2550 2066.6408 1947.1638 125.0600 -206775.7648 18092.2624 0.0000 0.0000 34284.2557 -149509.1271 299.4129 -183793.3828 -149414.6332 297.6809 178.4495 210.0106 555958.8920 -5.7480 -5.8047 PRESSURE: 4269400 -393.691 -192.616 226.899 -192.616 42.3848 6.56788 226.899 6.56675 60.2454 GPRESSURE: 4269400 -333.653 -222.971 159.518 -126.129 23.643 23.9742 216.882 -8.675 107.155 PRESSAVG: 4269400 -69.1314 -31.9538 16.806 -31.9537 13.5885 33.2642 16.806 33.2642 61.9561 GPRESSAVG: 4269400 -67.8647 -33.437 17.0994 -29.5483 14.0203 35.9677 16.8929 32.4291 59.8819 TIMING: 4269400 CPU: 12685.4, 0.00292954/step Wall: 12685.4, 0.00292954/step, 0.594534 hours remaining, 208.894531 MB of memory in use. ENERGY: 4269400 774.2086 2100.9324 1943.9978 107.8918 -206394.8065 17726.8782 0.0000 0.0000 34137.1947 -149603.7031 298.1286 -183740.8978 -149506.6105 298.2042 -97.0203 -67.6183 557299.0028 2.1377 2.0125 PRESSURE: 4269600 88.9886 129.176 219.706 129.175 -2.14212 53.5264 219.705 53.528 -160.398 GPRESSURE: 4269600 119.194 48.4063 172.367 112.229 -11.5625 -7.76426 222.087 19.8461 -75.179 PRESSAVG: 4269600 11.1177 31.4007 27.0272 31.4007 -8.04303 21.3821 27.0272 21.3821 -6.2359 GPRESSAVG: 4269600 9.99329 30.9512 27.2036 29.6644 -7.3188 20.1001 25.9188 21.4033 -5.9312 TIMING: 4269600 CPU: 12685.9, 0.00292057/step Wall: 12685.9, 0.00292057/step, 0.592552 hours remaining, 208.894531 MB of memory in use. ENERGY: 4269600 778.6497 2107.6537 1947.5836 97.9587 -206595.8687 17921.2849 0.0000 0.0000 34011.0092 -149731.7290 297.0266 -183742.7381 -149642.0730 298.2217 -24.5173 10.8174 555899.2262 -1.0538 -1.0856 PRESSURE: 4269800 100.752 -96.9892 209.974 -96.9893 161.956 10.594 209.976 10.5933 156.48 GPRESSURE: 4269800 149.679 -122.536 152.473 -63.0957 191.899 -12.2294 288.826 -10.9377 183.504 PRESSAVG: 4269800 -12.5745 -17.7328 -26.0234 -17.7329 -0.49585 -21.0768 -26.0234 -21.0769 -7.88564 GPRESSAVG: 4269800 -11.2007 -17.1985 -27.0493 -18.5551 -1.66066 -20.7622 -24.1113 -22.0894 -7.66272 TIMING: 4269800 CPU: 12686.5, 0.00293611/step Wall: 12686.5, 0.00293611/step, 0.595542 hours remaining, 208.894531 MB of memory in use. ENERGY: 4269800 756.7499 2036.1025 1955.3969 104.2770 -206811.2183 18086.2159 0.0000 0.0000 34114.7206 -149757.7555 297.9323 -183872.4761 -149660.7287 297.2116 139.7292 175.0273 556315.9705 -6.9853 -6.8414 PRESSURE: 4270000 -42.483 58.8813 -1.45668 58.8807 -156.755 -74.3886 -1.45676 -74.389 -322.759 GPRESSURE: 4270000 -3.92467 64.9866 -17.5002 125.395 -127.159 -67.0255 18.6724 -46.3283 -306.737 PRESSAVG: 4270000 5.24366 55.1298 8.1047 55.1298 42.425 -0.847634 8.10466 -0.847702 -61.5156 GPRESSAVG: 4270000 3.52126 55.0883 10.2351 57.9516 42.9845 -2.28018 7.16894 2.44711 -60.646 TIMING: 4270000 CPU: 12687.1, 0.00293598/step Wall: 12687.1, 0.00293598/step, 0.595351 hours remaining, 208.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4270000 762.2224 2103.2613 1945.6934 110.4328 -206208.5513 17602.4509 0.0000 0.0000 33983.2188 -149701.2718 296.7839 -183684.4906 -149601.0240 297.7669 -173.9987 -145.9405 557702.1170 -4.6157 -4.7134 PRESSURE: 4270200 -212.117 -135.55 -166.805 -135.55 117.45 201.391 -166.806 201.39 -72.7385 GPRESSURE: 4270200 -223.951 -46.4061 -160.959 -136.503 211.931 226.392 -133.756 193.525 -65.9807 PRESSAVG: 4270200 -57.9213 -25.8036 -35.6019 -25.8035 -0.719958 5.40298 -35.6019 5.40297 72.869 GPRESSAVG: 4270200 -56.699 -24.2803 -34.9887 -28.0159 -1.41509 5.02728 -36.6927 2.58316 72.2122 TIMING: 4270200 CPU: 12687.7, 0.00295885/step Wall: 12687.7, 0.00295885/step, 0.599825 hours remaining, 208.894531 MB of memory in use. ENERGY: 4270200 751.2675 2096.9128 1926.5879 120.1335 -206396.0488 17838.7683 0.0000 0.0000 34025.6548 -149636.7240 297.1545 -183662.3788 -149541.5328 297.9505 -55.8019 -26.0002 556368.6969 4.7426 4.6994 PRESSURE: 4270400 -39.5837 29.7762 -73.7545 29.7775 30.0201 -111.01 -73.7536 -111.01 163.659 GPRESSURE: 4270400 28.5311 -30.7248 -75.0985 22.6319 43.6518 -129.363 -6.74899 -148.017 192.491 PRESSAVG: 4270400 -66.4245 -33.9257 -91.9365 -33.9256 59.0054 -46.4044 -91.9364 -46.4044 30.7281 GPRESSAVG: 4270400 -66.6107 -35.284 -94.509 -33.9537 60.1703 -46.2087 -87.6199 -45.2178 29.7226 TIMING: 4270400 CPU: 12688.3, 0.0029748/step Wall: 12688.3, 0.0029748/step, 0.602892 hours remaining, 208.894531 MB of memory in use. ENERGY: 4270400 744.6385 2062.2183 1965.0174 117.3991 -206660.4863 17980.5925 0.0000 0.0000 34109.1503 -149681.4701 297.8837 -183790.6205 -149580.2714 297.5735 51.3650 88.2247 556480.2582 7.7697 7.7607 PRESSURE: 4270600 -173.991 38.3819 -128.563 38.3826 -204.806 -108.373 -128.561 -108.373 -60.7066 GPRESSURE: 4270600 -87.2141 51.1384 -128.381 106.699 -153.888 -120.548 -118.011 -109.215 -92.7829 PRESSAVG: 4270600 -8.42289 -8.33241 -101.602 -8.33244 15.53 -50.8025 -101.602 -50.8026 -0.653245 GPRESSAVG: 4270600 -10.545 -8.8993 -99.336 -7.49684 16.9644 -49.2684 -105.214 -50.915 -0.60146 TIMING: 4270600 CPU: 12688.9, 0.00293351/step Wall: 12688.9, 0.00293351/step, 0.594363 hours remaining, 208.894531 MB of memory in use. ENERGY: 4270600 746.0026 2102.9222 1927.5423 97.6564 -206195.2283 17575.3678 0.0000 0.0000 34076.8817 -149668.8554 297.6019 -183745.7370 -149574.7212 298.6921 -146.5013 -111.2951 557252.3692 2.1513 1.9393 PRESSURE: 4270800 -249.078 68.4803 123.832 68.4803 135.258 -53.8158 123.832 -53.8163 -92.1415 GPRESSURE: 4270800 -194.056 18.6118 99.1162 85.6071 202.001 -117.522 93.2278 -56.3999 -121.581 PRESSAVG: 4270800 45.5326 14.2142 -12.0731 14.2141 -41.3399 -34.1753 -12.0731 -34.1753 34.9582 GPRESSAVG: 4270800 47.808 14.4079 -12.9162 13.3144 -43.5044 -32.9557 -10.7191 -35.5214 34.6419 TIMING: 4270800 CPU: 12689.5, 0.0029188/step Wall: 12689.5, 0.0029188/step, 0.59122 hours remaining, 208.894531 MB of memory in use. ENERGY: 4270800 747.5305 2068.9255 1936.0110 118.8260 -206208.9136 17676.2949 0.0000 0.0000 34093.8412 -149567.4845 297.7500 -183661.3258 -149469.8286 298.4832 -68.6539 -37.8788 555985.5054 13.0503 12.9818 PRESSURE: 4271000 -179.605 -166.682 22.6737 -166.682 197.432 138.52 22.6746 138.522 18.6678 GPRESSURE: 4271000 -150.592 -223.001 47.7635 -239.482 234.78 62.8677 91.0529 139.979 46.2921 PRESSAVG: 4271000 -94.2896 -45.4154 84.0317 -45.4154 101.097 -65.4627 84.0316 -65.4628 -59.2927 GPRESSAVG: 4271000 -95.4477 -45.261 82.5608 -46.7001 101.34 -67.5023 86.4776 -63.9071 -58.1471 TIMING: 4271000 CPU: 12690.1, 0.00292656/step Wall: 12690.1, 0.00292656/step, 0.592629 hours remaining, 208.894531 MB of memory in use. ENERGY: 4271000 736.5548 2072.0812 1910.6295 118.3353 -206403.9277 17894.6745 0.0000 0.0000 34251.1292 -149420.5231 299.1236 -183671.6524 -149320.9111 298.6135 12.1652 43.4934 556289.0705 -17.4951 -17.4182 PRESSURE: 4271200 -36.0319 -28.0556 74.806 -28.0552 68.9082 59.1369 74.8057 59.1366 152.921 GPRESSURE: 4271200 35.2458 -3.57001 33.0683 -3.11902 88.3749 91.1869 96.566 99.8617 161.377 PRESSAVG: 4271200 -28.9672 23.0132 12.185 23.0132 -11.1003 2.91699 12.185 2.91683 60.7689 GPRESSAVG: 4271200 -28.6011 24.4618 13.8035 23.0634 -11.714 5.30872 10.3968 1.83056 61.3183 TIMING: 4271200 CPU: 12690.7, 0.00292316/step Wall: 12690.7, 0.00292316/step, 0.591777 hours remaining, 208.894531 MB of memory in use. ENERGY: 4271200 771.2391 2126.2829 1950.3475 100.1818 -206386.4362 17947.8667 0.0000 0.0000 34095.0279 -149395.4903 297.7604 -183490.5181 -149304.6155 298.6691 61.9326 94.9993 556764.8700 6.9005 7.0010 PRESSURE: 4271400 -95.9679 83.3731 -79.819 83.3729 -11.2119 77.6194 -79.8189 77.6172 95.3272 GPRESSURE: 4271400 -71.0935 71.1776 -36.3252 64.7238 7.03535 144.51 -163.664 75.9762 171.666 PRESSAVG: 4271400 -62.4161 25.4908 -14.6257 25.4908 -38.6339 21.1646 -14.6257 21.1645 51.7537 GPRESSAVG: 4271400 -62.1688 24.6156 -15.6953 25.8548 -38.3106 18.0468 -14.183 22.8495 51.5344 TIMING: 4271400 CPU: 12691.2, 0.00292769/step Wall: 12691.2, 0.00292769/step, 0.592532 hours remaining, 208.894531 MB of memory in use. ENERGY: 4271400 773.3269 2120.8185 1920.9227 115.9037 -206216.1486 17693.4351 0.0000 0.0000 34319.9758 -149271.7659 299.7249 -183591.7418 -149167.2023 298.7800 -3.9509 35.8692 556780.4170 -16.4321 -16.3150 PRESSURE: 4271600 -185.428 -16.5416 -143.059 -16.5416 3.52545 -13.6171 -143.06 -13.6191 62.4635 GPRESSURE: 4271600 -162.361 22.0335 -164.942 -71.2147 43.9718 -26.1732 -126.097 -16.0139 98.4542 PRESSAVG: 4271600 -5.19933 22.1794 -68.5853 22.1794 -28.1048 10.8186 -68.5852 10.8187 -22.7824 GPRESSAVG: 4271600 -6.15206 20.8277 -67.6228 24.3267 -26.9448 12.4704 -69.8593 9.56981 -22.9776 TIMING: 4271600 CPU: 12691.8, 0.00293646/step Wall: 12691.8, 0.00293646/step, 0.594144 hours remaining, 208.894531 MB of memory in use. ENERGY: 4271600 745.5944 2105.9383 1942.3206 108.9944 -206247.0660 17898.6329 0.0000 0.0000 34209.5381 -149236.0473 298.7604 -183445.5854 -149142.4535 299.5466 -39.8130 -6.6452 557595.2680 -18.6955 -18.6915 PRESSURE: 4271800 -89.6703 -74.7094 171.587 -74.7088 -11.8956 -38.5263 171.587 -38.5274 125.695 GPRESSURE: 4271800 -16.9041 -47.5284 63.2858 -76.2983 43.7785 -42.6094 251.674 1.50667 97.1587 PRESSAVG: 4271800 -52.8866 -42.9108 19.0143 -42.9108 67.2698 -6.86439 19.0143 -6.86447 23.2519 GPRESSAVG: 4271800 -52.7841 -40.9321 19.7649 -43.5476 67.1022 -7.43639 17.1939 -7.347 23.6128 TIMING: 4271800 CPU: 12692.4, 0.00293359/step Wall: 12692.4, 0.00293359/step, 0.5934 hours remaining, 208.894531 MB of memory in use. ENERGY: 4271800 763.6371 2118.9552 1906.4538 117.8667 -206522.6553 17981.0023 0.0000 0.0000 34365.8596 -149268.8806 300.1256 -183634.7402 -149176.6026 299.9237 8.0429 41.3444 556390.3308 12.5450 12.6436 PRESSURE: 4272000 -24.7271 -55.6381 24.0149 -55.6379 -190.867 173.352 24.0129 173.352 2.31462 GPRESSURE: 4272000 17.8436 -10.9561 -42.62 -113.004 -166.232 184.128 29.8621 128.183 20.0417 PRESSAVG: 4272000 48.1997 -60.2448 -9.49842 -60.2447 -12.8203 92.8357 -9.4985 92.8356 11.946 GPRESSAVG: 4272000 48.3859 -61.5782 -11.8396 -60.2762 -12.8713 92.7432 -5.18842 93.4996 11.3787 TIMING: 4272000 CPU: 12693, 0.00292082/step Wall: 12693, 0.00292082/step, 0.590654 hours remaining, 208.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4272000 744.2201 2096.1104 1925.2667 110.2428 -206126.8041 17721.8917 0.0000 0.0000 34364.3790 -149164.6934 300.1127 -183529.0724 -149075.0911 299.6254 -71.0930 -42.7823 556237.6066 15.7752 15.6311 PRESSURE: 4272200 295.438 -33.8093 -65.296 -33.8094 -62.0155 -51.0152 -65.2959 -51.0163 -97.2559 GPRESSURE: 4272200 291.435 41.7805 -54.0685 -32.6513 -11.1423 2.74488 -53.368 -95.9773 -44.643 PRESSAVG: 4272200 9.03181 9.29788 -8.04904 9.29786 5.33307 44.3503 -8.04903 44.3503 18.1749 GPRESSAVG: 4272200 8.65209 12.6482 -7.74192 7.35216 4.57641 45.0017 -10.3514 44.2619 19.8835 TIMING: 4272200 CPU: 12693.6, 0.00293727/step Wall: 12693.6, 0.00293727/step, 0.593819 hours remaining, 208.894531 MB of memory in use. ENERGY: 4272200 720.7749 2069.2862 1940.0524 118.2530 -206267.8300 17928.7957 0.0000 0.0000 34306.2092 -149184.4584 299.6047 -183490.6677 -149086.7232 299.5181 45.3890 78.5498 555916.3215 10.8466 11.0373 LDB: ============= START OF LOAD BALANCING ============== 12697.1 LDB: ============== END OF LOAD BALANCING =============== 12697.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12697.1 LDB: ============= START OF LOAD BALANCING ============== 12697.4 LDB: Largest compute 4802 load 0.022702 is 19.2% of average load 0.118186 LDB: Average compute 0.001741 is 1.5% of average load 0.118186 LDB: TIME 12697.4 LOAD: AVG 0.118186 MAX 0.196997 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.012 MB LDB: TIME 12697.4 LOAD: AVG 0.118186 MAX 0.196997 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.012 MB LDB: TIME 12697.4 LOAD: AVG 0.118186 MAX 0.196997 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.012 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12697.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12697.4 PRESSURE: 4272400 -45.3565 -110.19 140.632 -110.19 81.7245 -45.6915 140.631 -45.6936 -33.7219 GPRESSURE: 4272400 -12.3951 -78.9373 98.9398 -103.799 135.76 38.7627 217.101 -18.9267 -20.5385 PRESSAVG: 4272400 -22.5103 -18.1353 19.0626 -18.1353 20.6513 22.8296 19.0627 22.8296 18.2073 GPRESSAVG: 4272400 -22.1049 -21.1355 19.7204 -18.3442 20.7172 24.5973 19.867 21.0873 17.6618 TIMING: 4272400 CPU: 12694.2, 0.00300326/step Wall: 12694.2, 0.00300326/step, 0.606991 hours remaining, 208.808594 MB of memory in use. ENERGY: 4272400 764.1287 2094.7879 1924.6542 111.1066 -206005.8606 17918.6887 0.0000 0.0000 34069.1476 -149123.3469 297.5343 -183192.4945 -149032.5264 298.9406 0.8820 34.2756 557957.3497 5.4494 5.4247 PRESSURE: 4272600 -42.4676 -35.9993 101.381 -35.9993 -192.807 -83.8074 101.381 -83.8086 37.0656 GPRESSURE: 4272600 -12.3777 -71.7955 68.4173 -11.523 -188.401 -99.4844 141.264 -67.6218 108.188 PRESSAVG: 4272600 1.90249 10.1668 -14.9877 10.1668 40.2432 20.7043 -14.9878 20.7044 -13.3006 GPRESSAVG: 4272600 0.907805 9.04011 -16.2627 11.8871 40.5134 18.5636 -14.7315 22.5201 -12.9833 TIMING: 4272600 CPU: 12694.8, 0.00292395/step Wall: 12694.8, 0.00292395/step, 0.5908 hours remaining, 209.011719 MB of memory in use. ENERGY: 4272600 744.8112 2084.1466 1926.1991 105.9014 -206188.1470 17834.0856 0.0000 0.0000 34404.8488 -149088.1543 300.4661 -183493.0031 -148986.7717 299.8359 -66.0695 -30.8636 557259.5858 9.6150 9.4793 PRESSURE: 4272800 -249.475 -34.5711 -32.4019 -34.5714 192.073 -91.5605 -32.4021 -91.5609 -176.04 GPRESSURE: 4272800 -220.204 -17.6542 -53.114 -35.2612 214.516 -142.581 -62.5417 -97.1921 -128.639 PRESSAVG: 4272800 -43.6686 -20.8626 3.20833 -20.8627 -12.2649 -42.7092 3.20835 -42.7092 35.0739 GPRESSAVG: 4272800 -42.8704 -21.0932 2.88717 -20.5167 -12.8425 -41.173 3.84365 -44.5726 34.698 TIMING: 4272800 CPU: 12695.4, 0.00292646/step Wall: 12695.4, 0.00292646/step, 0.591145 hours remaining, 209.011719 MB of memory in use. ENERGY: 4272800 730.5004 2114.9811 1912.9357 119.7715 -205766.5939 17586.4102 0.0000 0.0000 34290.6879 -149011.3071 299.4691 -183301.9949 -148919.5136 299.4448 -77.8144 -44.7757 558631.7608 -6.9532 -7.0050 PRESSURE: 4273000 -324.661 -130.185 -143.212 -130.186 -158.504 148.799 -143.211 148.799 -251.839 GPRESSURE: 4273000 -258.229 -96.376 -110.451 -117.899 -149.44 171.301 -222.411 131.93 -217.657 PRESSAVG: 4273000 -12.7415 20.3851 -7.91897 20.3851 58.2947 -39.3337 -7.91892 -39.3335 -38.0806 GPRESSAVG: 4273000 -12.7315 21.9681 -7.98817 19.1815 58.4618 -41.1569 -8.97654 -37.1925 -37.8647 TIMING: 4273000 CPU: 12695.9, 0.00291347/step Wall: 12695.9, 0.00291347/step, 0.588359 hours remaining, 209.011719 MB of memory in use. ENERGY: 4273000 757.1526 2091.3997 1910.5138 117.5227 -205938.4755 17644.2674 0.0000 0.0000 34316.1352 -149101.4840 299.6913 -183417.6192 -149004.6537 299.1230 -245.0012 -208.4422 559286.3055 2.4909 2.6218 PRESSURE: 4273200 56.7043 54.8482 8.23841 54.8489 -146.823 -139.653 8.23883 -139.655 -103.545 GPRESSURE: 4273200 116.475 74.0424 -51.5389 45.2141 -88.2448 -180.371 69.0959 -171.832 -122.359 PRESSAVG: 4273200 22.1313 -25.7215 -33.3752 -25.7215 -16.2693 -7.06008 -33.3753 -7.06012 -1.78036 GPRESSAVG: 4273200 21.748 -26.0561 -32.1516 -25.2536 -14.8669 -8.3506 -32.5529 -7.59856 -2.72708 TIMING: 4273200 CPU: 12696.5, 0.00290875/step Wall: 12696.5, 0.00290875/step, 0.587244 hours remaining, 209.011719 MB of memory in use. ENERGY: 4273200 742.6204 2090.7729 1957.0091 103.5750 -205922.6573 17848.4391 0.0000 0.0000 34034.2491 -149145.9917 297.2296 -183180.2408 -149055.6110 299.2497 -64.5543 -31.3764 558562.7970 1.3606 1.3847 PRESSURE: 4273400 156.525 -123.669 -117.038 -123.669 251.041 -194.87 -117.039 -194.87 47.6757 GPRESSURE: 4273400 155.749 -106.118 -90.8304 -126.473 329.734 -168.256 -72.9767 -117.318 69.4091 PRESSAVG: 4273400 34.7095 -29.8325 4.69576 -29.8325 -5.9631 -43.7556 4.69583 -43.7557 -41.7212 GPRESSAVG: 4273400 35.0441 -29.8739 4.17841 -28.276 -6.79142 -41.6782 6.01219 -44.5701 -41.6992 TIMING: 4273400 CPU: 12697.1, 0.00294693/step Wall: 12697.1, 0.00294693/step, 0.59479 hours remaining, 209.011719 MB of memory in use. ENERGY: 4273400 756.4313 2137.8881 1934.3649 115.0172 -206522.5135 18121.5412 0.0000 0.0000 34433.9037 -149023.3671 300.7198 -183457.2708 -148924.9882 299.5740 151.7470 184.9640 557130.1481 -4.3249 -4.4822 PRESSURE: 4273600 -111.547 65.8033 146.145 65.8039 -104.077 -90.3917 146.145 -90.392 -59.2512 GPRESSURE: 4273600 -40.6897 135.422 162.799 88.5273 -90.3187 -119.256 85.6895 -80.6499 -42.8618 PRESSAVG: 4273600 -30.5226 19.294 -9.58729 19.2941 8.06105 -17.8009 -9.58728 -17.8011 -3.21039 GPRESSAVG: 4273600 -31.2233 18.1077 -8.98406 18.7356 8.11975 -16.4946 -10.6717 -16.5382 -2.6004 TIMING: 4273600 CPU: 12697.7, 0.00292659/step Wall: 12697.7, 0.00292659/step, 0.590522 hours remaining, 209.011719 MB of memory in use. ENERGY: 4273600 755.4504 2032.0474 1951.4235 116.3093 -205720.2956 17476.0981 0.0000 0.0000 34436.9913 -148951.9754 300.7468 -183388.9668 -148854.6465 300.6440 -91.6251 -57.9568 557325.0688 -8.5573 -8.5680 PRESSURE: 4273800 102.725 -57.8248 -227.719 -57.8235 -153.571 2.22103 -227.718 2.22022 -39.4163 GPRESSURE: 4273800 92.5954 -121.153 -182.333 -8.80997 -104.39 21.4298 -163.633 150.912 19.8964 PRESSAVG: 4273800 35.9504 -30.5607 3.52377 -30.5607 -22.9661 -31.7137 3.52379 -31.7138 20.0157 GPRESSAVG: 4273800 36.3359 -29.131 3.77323 -32.2323 -22.7119 -31.8755 3.35136 -30.9459 19.102 TIMING: 4273800 CPU: 12698.3, 0.00292417/step Wall: 12698.3, 0.00292417/step, 0.58987 hours remaining, 209.011719 MB of memory in use. ENERGY: 4273800 716.5498 2069.3989 1946.0762 111.6081 -205783.7204 17685.9050 0.0000 0.0000 34395.4441 -148858.7383 300.3840 -183254.1824 -148759.9781 300.0237 -30.0875 2.7007 557785.0142 11.0000 10.9087 PRESSURE: 4274000 7.40889 -77.4257 19.0447 -77.4261 273.925 -164.249 19.0429 -164.249 23.1525 GPRESSURE: 4274000 52.0624 -99.2528 89.9916 -101.911 269.413 -134.994 -7.90537 -201.731 70.5976 PRESSAVG: 4274000 41.8609 -7.92581 -47.4787 -7.92576 -29.826 -53.7524 -47.4786 -53.7525 -26.8592 GPRESSAVG: 4274000 42.6381 -9.17105 -49.0619 -6.45962 -30.8932 -53.787 -48.6239 -55.6759 -25.9476 TIMING: 4274000 CPU: 12698.9, 0.00292377/step Wall: 12698.9, 0.00292377/step, 0.589626 hours remaining, 209.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4274000 718.0834 2063.6281 1931.5058 108.5171 -206067.5249 17815.5007 0.0000 0.0000 34383.7735 -149046.5163 300.2820 -183430.2898 -148945.2110 299.6200 101.4955 130.6911 557482.3110 -4.9414 -4.7342 PRESSURE: 4274200 -300.156 -134.585 -93.6795 -134.584 -206.097 53.9466 -93.68 53.9479 -224.193 GPRESSURE: 4274200 -291.351 -201.078 -93.1365 -145.848 -151.463 -18.187 -106.881 76.5796 -197.835 PRESSAVG: 4274200 56.6638 -11.4512 -8.64179 -11.4512 -21.5309 3.45222 -8.64175 3.45228 -52.8154 GPRESSAVG: 4274200 55.3698 -10.7086 -7.06483 -12.1315 -20.9011 4.29226 -9.28015 4.82726 -52.1559 TIMING: 4274200 CPU: 12699.4, 0.00292547/step Wall: 12699.4, 0.00292547/step, 0.589807 hours remaining, 209.011719 MB of memory in use. ENERGY: 4274200 737.9736 2009.3842 1956.8925 130.1225 -206049.7118 17570.5691 0.0000 0.0000 34234.1867 -149410.5832 298.9757 -183644.7698 -149315.0766 299.0367 -243.4818 -213.5498 558499.2001 -5.8942 -5.8958 PRESSURE: 4274400 -106.379 -78.4807 3.66271 -78.4804 76.2201 -119.059 3.66182 -119.058 -4.95837 GPRESSURE: 4274400 -80.8825 -58.4335 -46.8297 -20.5203 92.8135 -170.867 35.5932 -171.517 51.7333 PRESSAVG: 4274400 16.043 12.9907 -26.8719 12.9907 15.2837 -8.05007 -26.8718 -8.05005 -24.5686 GPRESSAVG: 4274400 16.6308 13.0129 -27.4765 13.8691 15.9449 -8.95212 -25.2737 -8.64979 -26.0576 TIMING: 4274400 CPU: 12700, 0.00291031/step Wall: 12700, 0.00291031/step, 0.586589 hours remaining, 209.011719 MB of memory in use. ENERGY: 4274400 736.8448 2058.6882 1930.7476 102.8158 -206277.8020 17864.9529 0.0000 0.0000 34192.8215 -149390.9312 298.6144 -183583.7528 -149299.2028 298.6671 -11.7057 21.2214 557892.7790 2.2527 2.1727 PRESSURE: 4274600 74.759 -111.126 -129.6 -111.126 293.292 -7.63908 -129.599 -7.63918 -145.241 GPRESSURE: 4274600 134.012 -141.903 -128.029 -23.4335 269.694 -67.4415 -137.213 8.40708 -88.5564 PRESSAVG: 4274600 -14.3125 -63.7565 -26.5145 -63.7566 51.2389 -78.6309 -26.5145 -78.6309 18.8995 GPRESSAVG: 4274600 -14.62 -64.7517 -25.3845 -63.4135 51.4372 -78.0037 -27.0475 -78.0931 18.9991 TIMING: 4274600 CPU: 12700.6, 0.00291134/step Wall: 12700.6, 0.00291134/step, 0.586636 hours remaining, 209.011719 MB of memory in use. ENERGY: 4274600 698.8323 2109.8124 1935.9876 115.4604 -205917.9068 17733.6097 0.0000 0.0000 34165.4617 -149158.7427 298.3755 -183324.2044 -149067.3485 298.9547 74.2700 105.0500 557733.6567 18.6086 18.6054 PRESSURE: 4274800 257.988 -31.7735 230.461 -31.7741 311.396 70.4061 230.46 70.4066 183.461 GPRESSURE: 4274800 223.015 -69.1111 220.865 -157.723 392.555 20.2618 229.352 134.782 253.754 PRESSAVG: 4274800 1.34375 0.844599 28.614 0.84463 -44.8596 -37.2475 28.614 -37.2474 -12.9136 GPRESSAVG: 4274800 1.53485 1.87647 28.2485 -0.650962 -45.2443 -37.0257 27.8522 -37.9071 -12.2859 TIMING: 4274800 CPU: 12701.2, 0.0029265/step Wall: 12701.2, 0.0029265/step, 0.589527 hours remaining, 209.050781 MB of memory in use. ENERGY: 4274800 728.9117 2096.8254 1923.0035 101.1408 -206390.1474 18067.8289 0.0000 0.0000 34314.6221 -149157.8149 299.6781 -183472.4371 -149072.9277 299.2421 250.9484 289.7746 556390.3776 -18.8098 -18.6651 PRESSURE: 4275000 -144.882 -231.067 -112.641 -231.069 -320.351 70.4173 -112.642 70.4179 135.878 GPRESSURE: 4275000 -68.0077 -257.036 -129.767 -224.366 -266.191 9.17003 -83.9836 117.321 110.539 PRESSAVG: 4275000 -5.25986 -7.10507 -2.14337 -7.10501 4.71128 -92.5977 -2.14339 -92.5975 8.93127 GPRESSAVG: 4275000 -4.29367 -7.65392 -4.26425 -7.26613 3.8924 -91.3477 -0.0475966 -93.3184 9.55914 TIMING: 4275000 CPU: 12701.8, 0.00292118/step Wall: 12701.8, 0.00292118/step, 0.588294 hours remaining, 209.050781 MB of memory in use. ENERGY: 4275000 757.9159 2074.1415 1931.7614 112.8252 -205787.3063 17553.4604 0.0000 0.0000 34225.3993 -149131.8027 298.8989 -183357.2019 -149045.2167 300.1300 -109.7854 -74.5533 556151.3840 2.7942 3.0526 PRESSURE: 4275200 99.3438 -116.49 64.2279 -116.49 51.6957 -6.07164 64.2285 -6.07306 108.464 GPRESSURE: 4275200 141.314 -105.059 7.44458 -91.1002 54.3572 -63.0277 30.5582 -10.1226 156.814 PRESSAVG: 4275200 34.8379 -50.168 -16.4286 -50.1679 -18.489 -54.622 -16.4287 -54.622 -14.9525 GPRESSAVG: 4275200 34.1419 -48.3095 -15.9514 -49.9623 -17.794 -57.0491 -17.455 -54.2336 -15.3524 TIMING: 4275200 CPU: 12702.4, 0.00292464/step Wall: 12702.4, 0.00292464/step, 0.588828 hours remaining, 209.050781 MB of memory in use. ENERGY: 4275200 724.8515 2103.0183 1929.7741 108.7704 -205963.5072 17811.2185 0.0000 0.0000 34183.3052 -149102.5692 298.5313 -183285.8744 -149005.9319 299.6567 86.5011 117.4950 556800.1401 0.4655 0.3318 PRESSURE: 4275400 20.2346 -21.0541 103.19 -21.0536 149.348 2.43193 103.189 2.43309 91.7864 GPRESSURE: 4275400 67.4419 -179.401 211.954 13.6794 188.174 31.3887 159.986 -32.3724 107.311 PRESSAVG: 4275400 7.04483 -10.779 42.345 -10.779 35.128 11.2537 42.345 11.2536 -26.3598 GPRESSAVG: 4275400 6.72527 -11.5793 43.3972 -10.1107 34.4585 10.0392 43.2598 12.4775 -25.2786 TIMING: 4275400 CPU: 12702.9, 0.0029213/step Wall: 12702.9, 0.0029213/step, 0.587993 hours remaining, 209.050781 MB of memory in use. ENERGY: 4275400 721.2524 2081.5408 1935.0991 103.4738 -206441.5840 17896.8079 0.0000 0.0000 34380.5492 -149322.8608 300.2539 -183703.4100 -149219.5612 299.2904 87.1229 120.9759 556432.6433 5.2710 5.3017 PRESSURE: 4275600 211.637 -138.662 -58.5613 -138.662 108.092 41.2923 -58.5616 41.2931 206.583 GPRESSURE: 4275600 286.005 -237.687 -129.022 -87.4619 136.786 21.5552 0.0517773 54.9848 192.354 PRESSAVG: 4275600 31.0861 -17.6299 -15.2975 -17.6298 -58.8571 -0.184988 -15.2975 -0.184971 42.9279 GPRESSAVG: 4275600 31.8297 -19.3152 -15.6443 -17.2627 -58.8889 0.149577 -16.5937 2.0591 42.4719 TIMING: 4275600 CPU: 12703.5, 0.00292917/step Wall: 12703.5, 0.00292917/step, 0.589415 hours remaining, 209.050781 MB of memory in use. ENERGY: 4275600 711.1436 2084.3728 1907.9485 108.3155 -206664.1992 17962.3413 0.0000 0.0000 34364.7009 -149525.3765 300.1155 -183890.0774 -149425.4782 298.9546 175.4371 205.0486 556042.9271 5.0523 5.1376 PRESSURE: 4275800 109.285 -19.8323 42.5192 -19.8325 -143.418 -52.5187 42.5189 -52.5194 -186.626 GPRESSURE: 4275800 143.101 16.452 -29.8093 -23.7461 -99.5245 48.5046 -70.0644 -34.8283 -156.647 PRESSAVG: 4275800 91.6119 -50.3292 27.0917 -50.3292 6.56261 -0.289911 27.0917 -0.289929 -101.503 GPRESSAVG: 4275800 92.1348 -49.8898 27.0044 -50.7548 8.04683 2.09568 28.1388 -3.76583 -102.894 TIMING: 4275800 CPU: 12704.1, 0.00292734/step Wall: 12704.1, 0.00292734/step, 0.588883 hours remaining, 209.050781 MB of memory in use. ENERGY: 4275800 737.5614 2107.7418 1905.6557 102.1623 -206140.8956 17671.6810 0.0000 0.0000 34107.7333 -149508.3600 297.8713 -183616.0934 -149408.1546 298.0545 -73.5864 -37.6900 556925.2563 -1.1094 -0.9041 PRESSURE: 4276000 -147.101 -115.101 -100.49 -115.1 194.373 1.41631 -100.491 1.41621 -11.271 GPRESSURE: 4276000 -107.308 -132.933 -105.517 -34.7685 249.745 -63.4985 -5.89722 -16.1307 -18.1041 PRESSAVG: 4276000 -7.51836 18.687 -38.8488 18.6871 48.0091 -1.40836 -38.8488 -1.40839 11.589 GPRESSAVG: 4276000 -7.87477 20.3591 -37.8442 19.3315 47.307 -1.66432 -39.7114 -2.39404 12.4788 TIMING: 4276000 CPU: 12704.7, 0.00294803/step Wall: 12704.7, 0.00294803/step, 0.592881 hours remaining, 209.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4276000 734.6028 2099.3643 1918.9526 107.6109 -206786.8948 18035.0185 0.0000 0.0000 34243.4748 -149647.8707 299.0568 -183891.3456 -149555.5042 298.4422 12.0006 41.4440 558065.3914 17.3599 17.3036 PRESSURE: 4276200 -84.5289 -260.439 13.4057 -260.439 158.012 178.483 13.4064 178.483 84.0777 GPRESSURE: 4276200 -80.6716 -195.374 -14.8792 -243.447 209.878 246.486 63.8358 173.772 122.244 PRESSAVG: 4276200 -63.2432 -5.49886 -25.0883 -5.49883 65.7137 59.5994 -25.0882 59.5995 -21.5531 GPRESSAVG: 4276200 -63.5047 -6.78083 -25.8963 -5.30897 65.5903 58.5029 -25.1959 60.4601 -21.8168 TIMING: 4276200 CPU: 12705.3, 0.00295545/step Wall: 12705.3, 0.00295545/step, 0.59421 hours remaining, 209.050781 MB of memory in use. ENERGY: 4276200 724.9963 2100.5269 1916.6543 118.6324 -206650.0706 17950.9328 0.0000 0.0000 34367.8945 -149470.4335 300.1434 -183838.3280 -149362.8152 298.3875 52.5203 83.8169 556930.0486 -6.3609 -6.5771 LDB: ============= START OF LOAD BALANCING ============== 12708.8 LDB: ============== END OF LOAD BALANCING =============== 12708.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12708.9 LDB: ============= START OF LOAD BALANCING ============== 12709.1 LDB: Largest compute 4801 load 0.022297 is 18.9% of average load 0.118232 LDB: Average compute 0.001736 is 1.5% of average load 0.118232 LDB: TIME 12709.1 LOAD: AVG 0.118232 MAX 0.196352 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.27 MB LDB: TIME 12709.1 LOAD: AVG 0.118232 MAX 0.196352 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.34 MB LDB: TIME 12709.1 LOAD: AVG 0.118232 MAX 0.196352 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.34 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12709.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12709.2 PRESSURE: 4276400 17.1379 -165.076 -107.888 -165.076 -329.596 224.472 -107.889 224.472 163.282 GPRESSURE: 4276400 43.8311 -245.672 -38.252 -160.144 -245.287 255.425 -145.257 123.761 153.333 PRESSAVG: 4276400 -9.51875 -32.5479 -18.6226 -32.548 5.40819 23.3665 -18.6225 23.3665 16.7619 GPRESSAVG: 4276400 -8.70341 -30.6488 -15.9685 -35.6696 4.54295 23.1201 -20.293 24.3909 17.5008 TIMING: 4276400 CPU: 12705.9, 0.00301763/step Wall: 12705.9, 0.00301763/step, 0.606544 hours remaining, 208.808594 MB of memory in use. ENERGY: 4276400 777.8894 2064.9349 1906.5677 114.1231 -206301.6468 17833.8432 0.0000 0.0000 34173.9748 -149430.3137 298.4498 -183604.2885 -149330.6383 298.6518 -49.7255 -16.0409 556950.6699 4.2171 4.4468 PRESSURE: 4276600 -30.3545 142.639 -216.625 142.639 -344.434 15.0958 -216.624 15.0953 -443.438 GPRESSURE: 4276600 -9.03166 37.1478 -214.612 261.234 -335.847 31.303 -144.755 1.49852 -371.511 PRESSAVG: 4276600 25.1137 41.5463 -56.5468 41.5463 -62.2955 62.093 -56.5467 62.093 8.89075 GPRESSAVG: 4276600 24.0174 39.3518 -58.6049 43.924 -61.7936 64.587 -53.4665 59.9911 9.25481 TIMING: 4276600 CPU: 12706.5, 0.00292844/step Wall: 12706.5, 0.00292844/step, 0.588453 hours remaining, 208.808594 MB of memory in use. ENERGY: 4276600 708.7238 2136.7224 1925.2189 107.3306 -205948.5514 17476.4224 0.0000 0.0000 34220.7255 -149373.4078 298.8581 -183594.1333 -149273.2172 298.2691 -272.7420 -238.7964 559643.4932 -9.4303 -9.5071 PRESSURE: 4276800 -173.822 121.811 154.765 121.81 -284.276 15.7704 154.764 15.7703 -32.6356 GPRESSURE: 4276800 -198.329 125.768 143.928 137.252 -238.144 -22.6104 85.6849 37.0815 40.0902 PRESSAVG: 4276800 -19.0593 7.25969 -44.1434 7.25969 -10.4808 18.6907 -44.1433 18.6907 18.4334 GPRESSAVG: 4276800 -18.6621 7.14205 -44.2035 9.32776 -11.2949 16.4314 -44.4382 19.2621 18.6529 TIMING: 4276800 CPU: 12707.1, 0.00293018/step Wall: 12707.1, 0.00293018/step, 0.58864 hours remaining, 208.808594 MB of memory in use. ENERGY: 4276800 753.7870 2121.7345 1929.1206 115.4576 -206174.4193 17553.1670 0.0000 0.0000 34225.2471 -149475.9056 298.8976 -183701.1527 -149375.7823 298.7230 -163.5780 -132.1276 556199.2237 -3.7022 -3.7681 PRESSURE: 4277000 -123.463 -76.6453 -61.6746 -76.6463 -57.8848 211.377 -61.6737 211.378 -199.99 GPRESSURE: 4277000 -87.8454 -66.0452 -82.1048 -28.4497 -40.1698 207.872 -29.4332 181.247 -164.674 PRESSAVG: 4277000 65.4084 45.6126 -25.0834 45.6125 -59.5373 2.83253 -25.0834 2.83249 -2.99423 GPRESSAVG: 4277000 64.9452 46.4174 -23.7818 44.8718 -57.756 3.47334 -25.8096 2.16319 -4.13492 TIMING: 4277000 CPU: 12707.7, 0.00294106/step Wall: 12707.7, 0.00294106/step, 0.590663 hours remaining, 208.808594 MB of memory in use. ENERGY: 4277000 753.6237 2147.1152 1932.0295 110.4915 -205886.7884 17575.8497 0.0000 0.0000 34130.1680 -149237.5108 298.0672 -183367.6789 -149137.3985 299.2268 -127.1124 -97.5631 557720.0987 0.9589 1.0181 PRESSURE: 4277200 -72.3827 -19.3193 25.4332 -19.3194 -68.2477 198.061 25.4322 198.061 -179.421 GPRESSURE: 4277200 -19.3474 -24.8118 26.7084 30.5635 -52.141 199.025 55.7252 193.325 -157.288 PRESSAVG: 4277200 -25.1681 -18.1084 -27.861 -18.1084 -35.4472 -20.0904 -27.8611 -20.0903 43.9445 GPRESSAVG: 4277200 -23.7343 -18.2836 -29.1168 -19.7732 -36.0462 -20.004 -26.9639 -18.886 43.8901 TIMING: 4277200 CPU: 12708.3, 0.00295591/step Wall: 12708.3, 0.00295591/step, 0.593481 hours remaining, 208.808594 MB of memory in use. ENERGY: 4277200 748.7773 2131.6575 1918.6685 103.6769 -205934.4192 17576.3534 0.0000 0.0000 34223.4154 -149231.8703 298.8816 -183455.2857 -149130.1911 299.1643 -106.6840 -76.2589 557783.0584 -5.5569 -5.2968 PRESSURE: 4277400 300.414 -106.855 20.8577 -106.853 -1.53268 -88.2668 20.8581 -88.266 28.7714 GPRESSURE: 4277400 325.815 -177.638 114.622 -50.9325 59.0017 -64.9085 -43.4823 11.0117 28.0503 PRESSAVG: 4277400 -19.2235 -20.9356 -26.4699 -20.9356 -61.4906 -62.2025 -26.4699 -62.2024 46.5768 GPRESSAVG: 4277400 -19.5446 -20.8696 -24.6607 -20.8303 -61.3501 -62.3001 -28.4909 -63.9274 47.3947 TIMING: 4277400 CPU: 12708.8, 0.00294517/step Wall: 12708.8, 0.00294517/step, 0.591162 hours remaining, 208.808594 MB of memory in use. ENERGY: 4277400 778.2200 2089.4008 1908.3266 123.2127 -206588.6510 18092.6235 0.0000 0.0000 34415.0572 -149181.8102 300.5553 -183596.8674 -149086.9995 298.8163 109.2176 137.6225 557711.2917 -11.3791 -11.1667 PRESSURE: 4277600 -39.3024 -127.047 -95.1148 -127.047 -174.36 64.4232 -95.1144 64.4237 63.927 GPRESSURE: 4277600 -23.8544 -194.397 -90.404 -99.9213 -106.794 93.0298 -155.293 5.044 81.512 PRESSAVG: 4277600 42.3417 9.0142 -30.7725 9.01421 1.31263 17.8331 -30.7725 17.8331 2.9696 GPRESSAVG: 4277600 42.6435 8.80054 -30.1747 7.54299 0.0631465 17.8906 -30.0762 18.2425 3.24844 TIMING: 4277600 CPU: 12709.4, 0.00294138/step Wall: 12709.4, 0.00294138/step, 0.590237 hours remaining, 208.808594 MB of memory in use. ENERGY: 4277600 729.5418 2070.7560 1916.5332 115.0089 -205697.0438 17675.6285 0.0000 0.0000 34082.2960 -149107.2794 297.6492 -183189.5753 -149007.8501 299.4320 -49.9119 -16.3787 558772.8484 15.5413 15.3184 PRESSURE: 4277800 42.1129 -156.204 117.489 -156.204 -149.845 -24.6181 117.49 -24.6185 -69.0752 GPRESSURE: 4277800 69.6357 -107.94 168.806 -114.393 -117.429 68.1266 48.1648 -91.9115 -24.135 PRESSAVG: 4277800 14.2246 -4.105 13.374 -4.10507 -123.37 25.4792 13.374 25.4791 32.7945 GPRESSAVG: 4277800 12.256 -3.61898 10.8286 0.100363 -122.205 26.0573 15.2242 25.7378 33.108 TIMING: 4277800 CPU: 12710, 0.00297469/step Wall: 12710, 0.00297469/step, 0.596756 hours remaining, 209.066406 MB of memory in use. ENERGY: 4277800 784.1741 2081.2089 1952.0569 104.7241 -206148.1447 17678.3040 0.0000 0.0000 34540.9168 -149006.7600 301.6544 -183547.6767 -148901.1211 299.3378 -58.9358 -23.9760 557727.9840 -25.4504 -25.6136 PRESSURE: 4278000 -103.861 -70.4105 225.081 -70.4108 54.3363 52.6659 225.081 52.667 160.776 GPRESSURE: 4278000 -23.5214 5.22482 91.8372 -65.7265 92.1343 91.3231 162.574 46.1593 134.141 PRESSAVG: 4278000 13.604 -31.3765 7.83228 -31.3765 -69.1288 -56.7362 7.83226 -56.7362 46.6248 GPRESSAVG: 4278000 14.5507 -31.3911 6.58965 -33.0438 -70.8138 -56.0413 8.28473 -57.4917 46.9954 TIMING: 4278000 CPU: 12710.6, 0.00295656/step Wall: 12710.6, 0.00295656/step, 0.592954 hours remaining, 209.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4278000 738.6887 2036.7767 1956.7049 111.2916 -206082.8320 17851.4780 0.0000 0.0000 34329.8629 -149058.0292 299.8112 -183387.8921 -148965.6573 300.1064 37.0840 67.5846 558328.9929 -2.9667 -3.0892 PRESSURE: 4278200 183.48 -23.709 11.9132 -23.7098 269.201 -6.44 11.9124 -6.4398 146.734 GPRESSURE: 4278200 275.048 -1.37017 4.26334 -29.3034 305.039 51.8598 -3.00394 -88.6425 122.762 PRESSAVG: 4278200 -21.6422 11.1617 -36.9521 11.1617 -81.911 25.2042 -36.9522 25.2041 54.1396 GPRESSAVG: 4278200 -21.8158 11.1915 -36.1273 9.19989 -79.9529 25.5423 -38.2954 23.5521 52.6265 TIMING: 4278200 CPU: 12711.2, 0.00295361/step Wall: 12711.2, 0.00295361/step, 0.592199 hours remaining, 209.066406 MB of memory in use. ENERGY: 4278200 720.1986 2115.7765 1929.4683 110.7351 -206653.3774 18235.3871 0.0000 0.0000 34283.4298 -149258.3821 299.4057 -183541.8119 -149161.0269 299.6939 199.8054 234.2830 556696.0666 -16.4712 -16.3807 PRESSURE: 4278400 102.802 0.601245 67.8322 0.599925 182.713 19.7699 67.8321 19.7702 82.2831 GPRESSURE: 4278400 157.107 24.1886 87.4106 -82.9566 219.272 13.6556 10.1442 89.0472 88.1494 PRESSAVG: 4278400 36.617 1.00184 -10.7219 1.00182 1.24905 3.39889 -10.7219 3.39884 -22.0639 GPRESSAVG: 4278400 37.959 -0.114434 -9.53505 3.60992 -0.0137897 -0.408364 -11.0094 6.23619 -21.6015 TIMING: 4278400 CPU: 12711.8, 0.00294334/step Wall: 12711.8, 0.00294334/step, 0.589975 hours remaining, 209.066406 MB of memory in use. ENERGY: 4278400 727.7174 2127.6046 1953.0986 114.2787 -206775.2724 18011.0909 0.0000 0.0000 34600.0010 -149241.4812 302.1704 -183841.4822 -149148.7497 300.0241 122.5992 154.8426 556974.4926 5.2674 5.4479 PRESSURE: 4278600 -39.1973 14.8445 -126.108 14.845 -201.204 -65.1539 -126.108 -65.1551 -185.528 GPRESSURE: 4278600 -33.6122 21.9269 -134.886 -36.8394 -127.312 -87.5699 -77.0128 -92.1568 -180.082 PRESSAVG: 4278600 13.008 36.1214 -46.438 36.1214 -73.5874 -63.7963 -46.438 -63.7962 84.7964 GPRESSAVG: 4278600 11.6606 36.8096 -48.3004 34.219 -72.5173 -60.0423 -46.2328 -64.4207 85.1552 TIMING: 4278600 CPU: 12712.4, 0.00291993/step Wall: 12712.4, 0.00291993/step, 0.585122 hours remaining, 209.066406 MB of memory in use. ENERGY: 4278600 705.3682 2150.9973 1954.2172 114.9065 -205961.6973 17671.1820 0.0000 0.0000 34102.7246 -149262.3014 297.8276 -183365.0261 -149164.2161 299.9211 -141.9765 -113.6690 559027.9842 8.0723 8.0995 PRESSURE: 4278800 -201.177 115.677 4.14821 115.677 -220.205 -35.8078 4.14867 -35.8087 155.664 GPRESSURE: 4278800 -234.456 55.395 38.4764 228.949 -145.995 -5.6454 -70.0512 9.98069 196.563 PRESSAVG: 4278800 9.83746 11.3606 7.64623 11.3606 -102.658 -45.7166 7.64614 -45.7167 88.387 GPRESSAVG: 4278800 10.701 12.357 9.66219 11.6368 -102.74 -47.1479 8.43019 -44.3001 87.7018 TIMING: 4278800 CPU: 12713, 0.00295497/step Wall: 12713, 0.00295497/step, 0.591978 hours remaining, 209.066406 MB of memory in use. ENERGY: 4278800 738.7189 2167.7795 1945.3517 97.0071 -206069.2188 17767.2908 0.0000 0.0000 34201.5745 -149151.4963 298.6909 -183353.0707 -149052.1103 299.3881 -88.5727 -61.2962 558688.0660 -1.4779 -1.4457 PRESSURE: 4279000 -62.6171 -59.5684 22.548 -59.5684 91.7183 -93.1825 22.5498 -93.1807 -0.750236 GPRESSURE: 4279000 -3.26494 -7.54367 111.669 -47.6364 90.3002 -84.3518 -67.8916 -221.832 48.259 PRESSAVG: 4279000 0.585977 -25.8557 -30.2324 -25.8557 10.0277 -52.9953 -30.2324 -52.9953 62.7038 GPRESSAVG: 4279000 -0.186051 -27.109 -30.7837 -25.2419 10.4239 -52.9613 -29.5273 -53.8496 63.5737 TIMING: 4279000 CPU: 12713.6, 0.00293759/step Wall: 12713.6, 0.00293759/step, 0.588334 hours remaining, 209.066406 MB of memory in use. ENERGY: 4279000 715.9545 2047.2115 1925.5958 108.4476 -206001.3302 17550.2741 0.0000 0.0000 34493.5556 -149160.2911 301.2408 -183653.8467 -149056.6007 299.3518 9.4503 45.0981 556095.7997 24.4391 24.6039 PRESSURE: 4279200 -230.209 52.4783 -18.7224 52.4793 -6.34744 -61.4893 -18.7226 -61.4894 -38.3558 GPRESSURE: 4279200 -227.449 18.5895 -67.6271 33.3623 33.5151 -117.779 -21.1269 8.22957 36.1601 PRESSAVG: 4279200 -22.802 -14.1762 28.909 -14.1761 24.1853 -31.7495 28.9091 -31.7496 0.821657 GPRESSAVG: 4279200 -22.9719 -11.4778 29.3319 -15.0544 24.1736 -30.9231 27.0053 -32.0909 1.24861 TIMING: 4279200 CPU: 12714.1, 0.00293504/step Wall: 12714.1, 0.00293504/step, 0.58766 hours remaining, 209.066406 MB of memory in use. ENERGY: 4279200 724.5639 2063.4939 1939.6567 109.3594 -205988.5708 17596.9746 0.0000 0.0000 34357.3432 -149197.1791 300.0512 -183554.5223 -149101.1753 299.5556 -91.6374 -52.5913 556651.4116 0.7350 0.8168 PRESSURE: 4279400 146.096 -3.01048 184.736 -3.01001 154.442 -47.9204 184.735 -47.9212 264.294 GPRESSURE: 4279400 186.125 -33.7267 195.045 41.6525 215.322 -140.356 115.9 4.73974 265.836 PRESSAVG: 4279400 8.77568 -6.1061 -2.93761 -6.10604 -61.2394 -39.7199 -2.93759 -39.7199 62.9415 GPRESSAVG: 4279400 9.1468 -7.68163 -2.11264 -4.38978 -62.3251 -41.2966 -4.05434 -39.0738 63.4804 TIMING: 4279400 CPU: 12714.7, 0.00293795/step Wall: 12714.7, 0.00293795/step, 0.58808 hours remaining, 209.066406 MB of memory in use. ENERGY: 4279400 729.1650 2064.3342 1960.9280 113.6868 -206257.8145 17908.4164 0.0000 0.0000 34370.1931 -149111.0910 300.1634 -183481.2841 -149009.9669 299.6114 188.2772 222.4275 556613.8131 3.4926 3.4340 PRESSURE: 4279600 24.3381 169.637 -17.4945 169.639 -221.389 -53.8385 -17.4946 -53.8384 -355.677 GPRESSURE: 4279600 32.6209 173.48 -15.3621 106.336 -168.798 -83.038 -105.271 3.80029 -314.942 PRESSAVG: 4279600 14.1028 47.1081 5.03233 47.1081 -18.9169 16.332 5.03235 16.3322 -11.5975 GPRESSAVG: 4279600 14.5342 46.1385 2.61604 46.9461 -18.9374 14.9113 6.28609 16.3582 -12.1257 TIMING: 4279600 CPU: 12715.3, 0.00292957/step Wall: 12715.3, 0.00292957/step, 0.58624 hours remaining, 209.066406 MB of memory in use. ENERGY: 4279600 740.2264 2047.3839 1938.6280 126.7214 -205551.5245 17372.7395 0.0000 0.0000 34037.2092 -149288.6161 297.2554 -183325.8252 -149193.0305 299.1318 -184.2425 -150.3729 556741.1133 -5.4705 -5.5096 PRESSURE: 4279800 184.461 120.153 28.5245 120.154 85.8208 126.137 28.5236 126.137 64.4544 GPRESSURE: 4279800 262.141 137.701 9.95279 51.254 76.7328 154.701 7.7595 176.54 93.4967 PRESSAVG: 4279800 54.5075 30.5383 77.3161 30.5383 -1.3921 18.0371 77.3162 18.0371 -61.5102 GPRESSAVG: 4279800 54.2392 31.1768 78.0439 30.9576 -0.935921 20.2717 78.7858 15.3579 -61.514 TIMING: 4279800 CPU: 12715.9, 0.00292038/step Wall: 12715.9, 0.00292038/step, 0.584238 hours remaining, 209.066406 MB of memory in use. ENERGY: 4279800 720.4406 2115.3671 1922.3935 116.4729 -206184.6991 17999.9764 0.0000 0.0000 34151.3310 -149158.7177 298.2521 -183310.0487 -149061.6310 298.8552 111.5788 144.1235 557768.7895 -2.7983 -2.7369 PRESSURE: 4280000 -39.7335 2.39175 200.953 2.3925 -109.286 141.859 200.953 141.858 -56.3899 GPRESSURE: 4280000 -18.7259 -3.18553 121.652 68.0734 -68.4922 140.907 239.169 125.912 -24.0001 PRESSAVG: 4280000 9.4517 33.4669 33.4054 33.4669 18.5314 3.75927 33.4053 3.75926 -76.0978 GPRESSAVG: 4280000 10.4791 34.0914 32.548 30.7149 19.18 2.71724 32.5169 7.03503 -77.821 TIMING: 4280000 CPU: 12716.5, 0.00291522/step Wall: 12716.5, 0.00291522/step, 0.583044 hours remaining, 209.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4280000 738.7144 2086.6194 1937.4308 125.1061 -206030.2429 17674.6409 0.0000 0.0000 34284.2975 -149183.4340 299.4133 -183467.7314 -149087.7100 299.1552 -68.4698 -37.0728 556033.9453 -16.0382 -16.0540 PRESSURE: 4280200 170.629 96.2518 142.481 96.2525 -73.5148 92.5336 142.481 92.5342 -176.338 GPRESSURE: 4280200 188.55 115.912 195.789 91.0161 -59.8403 138.79 62.6784 -27.949 -126.046 PRESSAVG: 4280200 39.7568 45.7997 51.3596 45.7997 47.4666 -3.5696 51.3597 -3.56954 -44.8375 GPRESSAVG: 4280200 37.0685 45.8447 53.8983 49.3899 47.4953 -2.71109 50.3963 -6.26946 -42.7423 TIMING: 4280200 CPU: 12717.1, 0.0029255/step Wall: 12717.1, 0.0029255/step, 0.584937 hours remaining, 209.066406 MB of memory in use. ENERGY: 4280200 694.0423 2054.4854 1941.3906 120.0394 -206145.7805 17749.4638 0.0000 0.0000 34462.8971 -149123.4620 300.9731 -183586.3591 -149028.3526 300.2523 -26.4081 0.8879 557675.6986 14.1286 13.9405 LDB: ============= START OF LOAD BALANCING ============== 12720.6 LDB: ============== END OF LOAD BALANCING =============== 12720.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12720.6 LDB: ============= START OF LOAD BALANCING ============== 12720.9 LDB: Largest compute 4802 load 0.022203 is 18.8% of average load 0.118299 LDB: Average compute 0.001733 is 1.5% of average load 0.118299 LDB: TIME 12720.9 LOAD: AVG 0.118299 MAX 0.19699 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.07 MB LDB: TIME 12720.9 LOAD: AVG 0.118299 MAX 0.19699 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.07 MB LDB: TIME 12720.9 LOAD: AVG 0.118299 MAX 0.19699 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.07 MB LDB: ============== END OF LOAD BALANCING =============== 12720.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12720.9 PRESSURE: 4280400 100.534 156.022 -2.45599 156.022 82.5136 -135.914 -2.45577 -135.914 -115.211 GPRESSURE: 4280400 151.361 198.338 -80.8192 99.0391 69.3008 -137.351 128.826 -157.371 -47.1475 PRESSAVG: 4280400 -36.1958 87.9374 10.1436 87.9374 -19.3255 22.293 10.1436 22.293 59.3001 GPRESSAVG: 4280400 -34.9143 85.8203 8.73322 87.8359 -19.2183 20.0974 10.8116 24.044 58.4235 TIMING: 4280400 CPU: 12717.7, 0.00299523/step Wall: 12717.7, 0.00299523/step, 0.598712 hours remaining, 207.785156 MB of memory in use. ENERGY: 4280400 752.6272 2068.2188 1950.3014 118.4158 -206103.0106 17785.7788 0.0000 0.0000 34277.8321 -149149.8365 299.3568 -183427.6686 -149051.9434 299.5425 22.6121 57.8381 556898.9584 1.2596 1.4303 PRESSURE: 4280600 -194.535 -5.94192 72.8938 -5.94232 441.612 10.5022 72.8931 10.5021 39.8845 GPRESSURE: 4280600 -167.872 6.51706 -11.904 -43.3861 449.92 -5.23078 142.555 -41.3167 105.562 PRESSAVG: 4280600 19.5061 20.225 -17.1801 20.2251 -10.9152 -36.575 -17.1801 -36.5751 -2.64929 GPRESSAVG: 4280600 20.0612 22.6473 -16.9026 17.5213 -11.3294 -32.9382 -18.3176 -36.0636 -2.97372 TIMING: 4280600 CPU: 12718.3, 0.00293207/step Wall: 12718.3, 0.00293207/step, 0.585924 hours remaining, 207.785156 MB of memory in use. ENERGY: 4280600 720.7223 2032.3221 1949.0816 112.2612 -206225.5447 17931.5541 0.0000 0.0000 34325.7643 -149153.8390 299.7754 -183479.6033 -149055.0223 299.8633 95.6538 129.2032 558012.6220 1.9805 1.9194 PRESSURE: 4280800 -25.6379 81.4684 -7.47331 81.4691 -67.24 -24.8938 -7.47359 -24.8941 -205.829 GPRESSURE: 4280800 29.5524 -38.0797 -92.8888 112.975 -45.6494 -15.0329 91.7288 -123.694 -182.201 PRESSAVG: 4280800 48.1981 -19.0432 10.4562 -19.0431 -49.7043 -19.4655 10.4562 -19.4655 48.741 GPRESSAVG: 4280800 46.4254 -19.4548 10.106 -16.8765 -49.674 -19.5044 10.5042 -22.7217 50.3756 TIMING: 4280800 CPU: 12718.8, 0.00292012/step Wall: 12718.8, 0.00292012/step, 0.583376 hours remaining, 207.785156 MB of memory in use. ENERGY: 4280800 738.8522 2067.8050 1940.9874 104.0157 -206036.7797 17741.2282 0.0000 0.0000 34212.4541 -149231.4372 298.7859 -183443.8913 -149132.8566 298.5066 -99.5689 -66.0993 558337.3064 15.7449 15.7090 PRESSURE: 4281000 226.71 -6.43312 27.5735 -6.43221 58.5926 66.3256 27.5743 66.3261 124.636 GPRESSURE: 4281000 294.924 33.0917 17.6648 5.37624 101.235 94.5634 48.9742 -5.0683 112.175 PRESSAVG: 4281000 -17.8418 6.5349 14.2654 6.53496 23.9791 39.5735 14.2655 39.5734 -51.6161 GPRESSAVG: 4281000 -16.6689 7.13526 12.8163 5.92266 24.7251 37.5318 15.7707 42.3783 -53.491 TIMING: 4281000 CPU: 12719.4, 0.00291243/step Wall: 12719.4, 0.00291243/step, 0.581677 hours remaining, 207.785156 MB of memory in use. ENERGY: 4281000 738.0809 2052.5288 1915.7361 108.9371 -206488.8998 18070.5670 0.0000 0.0000 34414.7757 -149188.2742 300.5528 -183603.0499 -149089.6915 298.8792 136.6460 169.4448 557374.8558 -15.1596 -15.1449 PRESSURE: 4281200 1.40184 45.6185 80.6443 45.6182 -125.557 -34.0032 80.643 -34.0051 -165.024 GPRESSURE: 4281200 51.3303 18.6215 79.8442 39.6369 -112.822 -53.8278 29.5819 -50.1741 -135.029 PRESSAVG: 4281200 38.6487 -57.8927 46.6116 -57.8927 28.8305 48.5817 46.6114 48.5817 -44.4014 GPRESSAVG: 4281200 39.201 -60.0723 49.9147 -58.0987 28.4402 50.22 45.0159 46.38 -44.5486 TIMING: 4281200 CPU: 12720, 0.00292362/step Wall: 12720, 0.00292362/step, 0.583749 hours remaining, 207.785156 MB of memory in use. ENERGY: 4281200 764.8100 2054.1049 1916.8473 122.5796 -205958.4310 17705.0429 0.0000 0.0000 34038.8317 -149356.2145 297.2696 -183395.0462 -149261.8867 299.3278 -96.3928 -65.5069 559042.8620 7.6926 7.6975 PRESSURE: 4281400 -146.754 -43.5691 191.107 -43.5681 -4.02738 71.3864 191.107 71.3856 -147.982 GPRESSURE: 4281400 -160.719 36.3944 114.06 -74.6117 78.8267 -41.7881 231.034 155.964 -118.728 PRESSAVG: 4281400 8.27334 1.07517 9.05881 1.07517 -7.73526 70.369 9.05882 70.369 18.1268 GPRESSAVG: 4281400 7.92666 1.78325 6.91524 1.55294 -6.57353 70.1584 9.45741 69.3784 18.3749 TIMING: 4281400 CPU: 12720.6, 0.00292485/step Wall: 12720.6, 0.00292485/step, 0.583833 hours remaining, 207.785156 MB of memory in use. ENERGY: 4281400 771.0792 2095.2262 1902.5502 113.5949 -206217.1878 17782.8867 0.0000 0.0000 34121.9644 -149429.8862 297.9956 -183551.8505 -149340.2143 298.1758 -99.5879 -66.8734 557598.9504 6.2216 6.5760 PRESSURE: 4281600 -40.2488 -8.71714 47.8888 -8.71723 449.583 43.9156 47.8895 43.9155 39.8063 GPRESSURE: 4281600 14.3875 -37.7625 30.0121 25.6773 484.268 108.419 19.5435 20.3496 66.4027 PRESSAVG: 4281600 -24.6938 -0.252854 -20.214 -0.252902 -3.93888 53.9497 -20.214 53.9497 -26.2625 GPRESSAVG: 4281600 -24.2618 0.960638 -20.7643 -1.15405 -4.66723 52.7333 -19.0734 56.9025 -25.9378 TIMING: 4281600 CPU: 12721.2, 0.00292762/step Wall: 12721.2, 0.00292762/step, 0.584224 hours remaining, 207.785156 MB of memory in use. ENERGY: 4281600 712.2895 2069.8312 1926.7446 114.7960 -206429.6518 17952.8433 0.0000 0.0000 34174.6997 -149478.4473 298.4562 -183653.1470 -149380.0079 298.5495 149.7135 188.3528 556354.5491 -18.2984 -18.2889 PRESSURE: 4281800 411.953 82.0962 -80.7152 82.0976 -144.256 66.9233 -80.7158 66.9227 -71.5906 GPRESSURE: 4281800 472.671 87.7972 -129.565 54.189 -149.762 39.714 26.3141 -8.52379 -29.4978 PRESSAVG: 4281800 30.9493 -28.4644 36.9263 -28.4643 -13.3108 5.5151 36.9264 5.51509 25.8901 GPRESSAVG: 4281800 31.1878 -29.7908 38.0226 -27.7976 -12.2031 9.37106 35.3514 3.46416 24.9339 TIMING: 4281800 CPU: 12721.8, 0.00292224/step Wall: 12721.8, 0.00292224/step, 0.582988 hours remaining, 207.785156 MB of memory in use. ENERGY: 4281800 762.8807 2087.7227 1907.6885 110.4616 -206381.3213 17857.0416 0.0000 0.0000 34185.1824 -149470.3438 298.5477 -183655.5262 -149370.9102 298.5380 65.3688 97.8038 555595.4883 14.5095 14.6395 PRESSURE: 4282000 -243.673 37.4619 -182.915 37.4624 83.5828 197.288 -182.914 197.287 -267.867 GPRESSURE: 4282000 -213.882 -81.0757 -203.996 99.3849 106.076 169.418 -127.13 223.323 -229.73 PRESSAVG: 4282000 51.0266 -20.8239 -4.67218 -20.8239 28.0262 48.726 -4.67218 48.726 -37.1732 GPRESSAVG: 4282000 51.4193 -20.9979 -3.56219 -19.8371 27.0148 46.0874 -4.82392 49.1185 -36.6672 TIMING: 4282000 CPU: 12722.4, 0.00292875/step Wall: 12722.4, 0.00292875/step, 0.584123 hours remaining, 207.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4282000 762.1567 2112.0862 1947.9889 117.2096 -206258.5113 17605.8967 0.0000 0.0000 34329.1883 -149383.9849 299.8053 -183713.1732 -149284.8577 298.6926 -142.6523 -112.5117 557000.8693 13.9599 13.9223 PRESSURE: 4282200 -120.103 21.2809 -126.649 21.2804 -230.026 -46.4669 -126.648 -46.4663 -417.985 GPRESSURE: 4282200 -86.9492 -41.1633 -179.709 146.167 -223.048 15.861 -97.6444 -69.9127 -354.102 PRESSAVG: 4282200 -25.5117 -15.6108 -12.3344 -15.6109 47.2984 86.3048 -12.3342 86.3048 -45.0007 GPRESSAVG: 4282200 -24.7801 -15.8762 -14.8228 -14.7392 47.7341 86.375 -10.8118 86.5127 -45.3457 TIMING: 4282200 CPU: 12722.9, 0.00291551/step Wall: 12722.9, 0.00291551/step, 0.581321 hours remaining, 207.785156 MB of memory in use. ENERGY: 4282200 749.1686 2192.3386 1918.8283 118.1370 -205962.2239 17451.4000 0.0000 0.0000 34051.1161 -149481.2353 297.3769 -183532.3514 -149383.4365 298.8217 -256.0380 -221.3661 557756.8154 -7.7380 -7.4639 PRESSURE: 4282400 -287.441 32.477 156.421 32.4775 -48.9938 158.729 156.421 158.728 -65.927 GPRESSURE: 4282400 -231.455 21.838 106.051 77.8264 17.1007 226.441 156.954 63.251 -82.8469 PRESSAVG: 4282400 -28.0073 -34.4977 41.2648 -34.4976 -21.9912 38.5686 41.2648 38.5686 -6.85821 GPRESSAVG: 4282400 -29.1661 -32.9524 42.8757 -37.5968 -22.3286 38.7208 38.8143 39.7571 -5.93759 TIMING: 4282400 CPU: 12723.5, 0.00291695/step Wall: 12723.5, 0.00291695/step, 0.581445 hours remaining, 207.785156 MB of memory in use. ENERGY: 4282400 726.3924 2115.8745 1942.1050 116.3657 -206375.3256 17800.8799 0.0000 0.0000 34106.8962 -149566.8118 297.8640 -183673.7080 -149472.0687 298.7633 -134.1207 -99.0672 557844.0856 -18.9523 -19.1441 PRESSURE: 4282600 -141.982 -2.77938 123.682 -2.7805 -172.024 -27.1139 123.682 -27.1132 -273.158 GPRESSURE: 4282600 -86.8327 17.8515 156.777 -120.39 -150.523 -11.7565 89.2952 -68.6092 -243.816 PRESSAVG: 4282600 -16.9165 -7.31071 18.4917 -7.31064 21.3211 32.9285 18.4916 32.9284 26.4075 GPRESSAVG: 4282600 -17.122 -9.23327 16.7731 -4.98012 21.9963 32.6351 19.7041 32.5853 25.3261 TIMING: 4282600 CPU: 12724.1, 0.00291614/step Wall: 12724.1, 0.00291614/step, 0.581121 hours remaining, 207.785156 MB of memory in use. ENERGY: 4282600 781.2923 2150.4082 1908.2236 108.8629 -206454.8717 17652.1427 0.0000 0.0000 34141.4730 -149712.4690 298.1660 -183853.9420 -149612.2301 298.4016 -195.7213 -160.3908 557932.1243 10.2707 10.0668 PRESSURE: 4282800 123.31 -166.316 -164.882 -166.316 -236.748 -2.05342 -164.882 -2.05268 -112.216 GPRESSURE: 4282800 237.249 -217.501 -89.6461 -140.675 -189.663 -4.56752 -201.956 21.4455 -164.401 PRESSAVG: 4282800 80.215 8.77518 -35.8178 8.77524 -72.4182 -26.6979 -35.8179 -26.6981 0.331066 GPRESSAVG: 4282800 78.7211 9.26547 -33.9102 8.11223 -72.5459 -26.4792 -36.896 -26.9017 2.02183 TIMING: 4282800 CPU: 12724.7, 0.00290126/step Wall: 12724.7, 0.00290125/step, 0.577994 hours remaining, 207.785156 MB of memory in use. ENERGY: 4282800 745.0524 2014.1563 1927.3363 112.5244 -206377.2992 17810.9708 0.0000 0.0000 34272.7114 -149494.5475 299.3121 -183767.2589 -149399.6604 298.0696 -75.2181 -38.9382 559612.7877 2.7093 2.7323 PRESSURE: 4283000 -145.428 11.9415 106.73 11.941 125.73 30.6195 106.73 30.6205 -106.413 GPRESSURE: 4283000 -88.7933 -28.4737 71.0209 -37.997 142.598 64.9209 134.305 -6.95368 -80.4482 PRESSAVG: 4283000 27.2002 -77.5822 -8.45452 -77.5822 -62.333 25.7879 -8.45441 25.7879 15.8055 GPRESSAVG: 4283000 29.2288 -76.4808 -8.35883 -76.5792 -63.7279 25.5321 -8.18551 24.4589 15.9735 TIMING: 4283000 CPU: 12725.3, 0.00292948/step Wall: 12725.3, 0.00292948/step, 0.583455 hours remaining, 207.785156 MB of memory in use. ENERGY: 4283000 753.0736 2102.0560 1951.3618 118.7835 -206599.2115 18000.2715 0.0000 0.0000 34127.5044 -149546.1606 298.0440 -183673.6650 -149445.5393 298.2984 -42.0371 -8.8810 558045.0615 -6.4424 -6.1752 PRESSURE: 4283200 -147.599 -35.2917 52.2862 -35.2908 235.383 -58.3623 52.2862 -58.363 -5.51682 GPRESSURE: 4283200 -148.386 -93.9619 72.9985 -43.4218 228.042 -135.33 11.8275 -25.352 90.4166 PRESSAVG: 4283200 19.0558 -52.4353 -32.0118 -52.4353 -2.51262 -29.5572 -32.0118 -29.5572 -36.7925 GPRESSAVG: 4283200 18.7739 -50.9238 -32.0104 -54.6535 -1.62612 -30.589 -31.3659 -28.0485 -37.3895 TIMING: 4283200 CPU: 12725.9, 0.00292518/step Wall: 12725.9, 0.00292518/step, 0.582435 hours remaining, 207.785156 MB of memory in use. ENERGY: 4283200 708.1124 2139.9147 1961.9148 119.4470 -206632.8214 17813.5120 0.0000 0.0000 34252.4253 -149637.4952 299.1349 -183889.9205 -149543.7840 298.7563 27.4224 56.6907 556934.2872 -6.7498 -6.7472 PRESSURE: 4283400 -70.459 -79.2217 -15.1789 -79.2222 129.453 168.162 -15.1781 168.161 292.529 GPRESSURE: 4283400 12.3358 -107.249 -6.64318 -71.9433 157.72 165.229 -51.4321 181.941 277.761 PRESSAVG: 4283400 -49.3684 -39.1696 -34.2394 -39.1696 107.764 -44.0692 -34.2393 -44.0693 -36.9737 GPRESSAVG: 4283400 -48.9783 -40.7848 -36.4675 -40.5969 109.321 -42.4078 -33.1582 -44.4732 -38.3531 TIMING: 4283400 CPU: 12726.4, 0.00291295/step Wall: 12726.4, 0.00291295/step, 0.57984 hours remaining, 207.785156 MB of memory in use. ENERGY: 4283400 704.4788 2107.5898 1942.3697 112.0502 -206676.2900 17900.6571 0.0000 0.0000 34231.5243 -149677.6202 298.9524 -183909.1444 -149591.2964 297.6382 117.1743 149.2720 556385.0739 7.1407 7.3300 PRESSURE: 4283600 -124.814 -10.3532 -46.9964 -10.3525 -156.805 -25.4131 -46.9965 -25.4129 -144.297 GPRESSURE: 4283600 -118.727 -34.5515 -7.11039 -27.8696 -101.556 48.1233 -145.416 -36.3435 -114.95 PRESSAVG: 4283600 -47.4497 8.34897 14.1236 8.3489 67.6437 26.6578 14.1236 26.6578 20.1071 GPRESSAVG: 4283600 -47.6865 7.6513 16.6808 8.96253 67.8328 28.1726 14.2091 26.2035 20.3635 TIMING: 4283600 CPU: 12727, 0.00296781/step Wall: 12727, 0.00296781/step, 0.590594 hours remaining, 207.785156 MB of memory in use. ENERGY: 4283600 753.2223 2064.5002 1922.1911 107.3758 -206301.0351 17780.0798 0.0000 0.0000 34092.7981 -149580.8679 297.7409 -183673.6660 -149485.9456 297.4984 -141.9721 -111.7443 557605.5950 13.4337 13.5033 PRESSURE: 4283800 99.2305 -7.93971 -20.5764 -7.94063 -142.553 -148.722 -20.5764 -148.723 243.24 GPRESSURE: 4283800 120.105 71.3918 -94.4345 19.4677 -117.585 -85.4155 103.339 -166.426 291.891 PRESSAVG: 4283800 6.96117 -40.0396 -24.1888 -40.0396 0.497941 -18.5194 -24.1888 -18.5194 -5.06738 GPRESSAVG: 4283800 7.50973 -40.2338 -25.3213 -38.1803 -0.638631 -20.3872 -25.1345 -17.5088 -4.74793 TIMING: 4283800 CPU: 12727.6, 0.00296726/step Wall: 12727.6, 0.00296726/step, 0.59032 hours remaining, 207.785156 MB of memory in use. ENERGY: 4283800 779.0863 2063.7733 1926.9460 121.5472 -206425.4860 18018.6400 0.0000 0.0000 33996.5590 -149518.9341 296.9004 -183515.4932 -149419.1592 298.3359 66.6391 98.1371 557145.7964 0.7972 0.7077 PRESSURE: 4284000 62.9195 19.0207 77.4928 19.0205 -37.9866 66.8363 77.4941 66.8365 109.777 GPRESSURE: 4284000 88.6666 -12.0734 92.7437 27.4975 -7.29769 79.4265 128.305 52.9798 149.897 PRESSAVG: 4284000 -42.3225 32.6314 22.7888 32.6313 4.52911 -12.6353 22.7887 -12.6352 54.1608 GPRESSAVG: 4284000 -43.0642 32.4926 22.5521 33.521 4.61875 -13.5973 25.2288 -13.4003 54.9708 TIMING: 4284000 CPU: 12728.2, 0.00294114/step Wall: 12728.2, 0.00294114/step, 0.584961 hours remaining, 207.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4284000 756.2749 2114.7167 1947.9963 117.0686 -206403.7656 18044.0034 0.0000 0.0000 34209.6872 -149214.0184 298.7617 -183423.7056 -149126.3845 298.8042 44.9032 77.0888 556902.7589 5.4558 5.5084 PRESSURE: 4284200 51.6319 113.728 37.194 113.728 90.9707 -252.564 37.1951 -252.562 158.388 GPRESSURE: 4284200 88.7401 87.2533 54.18 182.711 168.006 -231.158 -22.2603 -251.094 150.071 PRESSAVG: 4284200 -17.0449 83.6035 39.4038 83.6035 4.92925 -72.6566 39.4037 -72.6565 12.1313 GPRESSAVG: 4284200 -17.4778 85.1055 39.6698 82.1522 5.36188 -71.6509 38.219 -73.0398 11.476 TIMING: 4284200 CPU: 12728.8, 0.00293357/step Wall: 12728.8, 0.00293357/step, 0.583291 hours remaining, 207.785156 MB of memory in use. ENERGY: 4284200 751.5227 2116.0393 1937.0429 113.9878 -206328.3624 17836.9061 0.0000 0.0000 34351.6460 -149221.2176 300.0015 -183572.8637 -149130.3955 299.7972 100.3301 135.6056 555187.4957 0.0052 -0.2133 LDB: ============= START OF LOAD BALANCING ============== 12732.3 LDB: ============== END OF LOAD BALANCING =============== 12732.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12732.3 LDB: ============= START OF LOAD BALANCING ============== 12732.6 LDB: Largest compute 4801 load 0.022023 is 18.6% of average load 0.118242 LDB: Average compute 0.001739 is 1.5% of average load 0.118242 LDB: TIME 12732.6 LOAD: AVG 0.118242 MAX 0.198704 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.785 MB LDB: TIME 12732.6 LOAD: AVG 0.118242 MAX 0.198704 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.785 MB LDB: TIME 12732.6 LOAD: AVG 0.118242 MAX 0.198704 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.785 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12732.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12732.6 PRESSURE: 4284400 32.8042 96.012 95.868 96.0118 -154.161 -4.21102 95.8687 -4.2104 234.895 GPRESSURE: 4284400 42.0528 87.7512 128.659 48.4291 -122.259 -33.7811 67.0989 10.5821 284.686 PRESSAVG: 4284400 -14.3136 88.7378 -8.47178 88.7379 21.8638 3.87466 -8.47183 3.87463 35.3102 GPRESSAVG: 4284400 -14.9033 90.0159 -9.67573 88.3948 22.4998 5.25179 -8.124 2.83858 35.0466 TIMING: 4284400 CPU: 12729.4, 0.00301404/step Wall: 12729.4, 0.00301404/step, 0.599124 hours remaining, 208.296875 MB of memory in use. ENERGY: 4284400 766.5435 2091.1359 1942.4311 112.2829 -205884.2092 17685.2252 0.0000 0.0000 34146.6202 -149139.9704 298.2109 -183286.5906 -149041.5933 299.8137 37.8462 68.1599 557148.6845 14.2868 14.2143 PRESSURE: 4284600 -45.4494 -161.512 -32.6699 -161.512 -276.24 -38.1839 -32.6703 -38.1831 -158.508 GPRESSURE: 4284600 -10.0516 -29.1704 -85.0977 -183.952 -204.903 -37.204 -16.9865 -31.4359 -169.696 PRESSAVG: 4284600 -37.2937 14.1544 4.28436 14.1542 -12.7317 -30.0432 4.28431 -30.0432 118.197 GPRESSAVG: 4284600 -37.0824 13.9132 7.80197 14.5961 -12.3829 -31.453 1.46469 -28.6842 117.629 TIMING: 4284600 CPU: 12730, 0.00296851/step Wall: 12730, 0.00296851/step, 0.58991 hours remaining, 208.296875 MB of memory in use. ENERGY: 4284600 742.1969 2098.8830 1942.0091 106.0536 -206137.4910 17694.5781 0.0000 0.0000 34395.9157 -149157.8545 300.3881 -183553.7702 -149056.9099 299.8632 -160.0659 -128.2170 557884.3136 22.7238 22.7212 PRESSURE: 4284800 -178.749 -108.453 -127.355 -108.453 -6.43884 -177.748 -127.356 -177.748 50.2445 GPRESSURE: 4284800 -151.063 -32.466 -65.0572 -182.643 69.56 -261.682 -240.673 -215.535 45.5439 PRESSAVG: 4284800 0.0428215 44.9181 20.102 44.918 -43.6259 -10.1232 20.1021 -10.1231 30.0558 GPRESSAVG: 4284800 0.135682 43.5838 19.2489 46.4482 -44.9338 -13.2975 20.2608 -9.98891 31.3687 TIMING: 4284800 CPU: 12730.6, 0.00295435/step Wall: 12730.6, 0.00295435/step, 0.586932 hours remaining, 208.296875 MB of memory in use. ENERGY: 4284800 715.3269 2132.7282 1927.2239 121.1339 -206079.9241 17832.7413 0.0000 0.0000 34298.1957 -149052.5743 299.5347 -183350.7700 -148959.4179 299.3693 -44.9812 -11.9864 558815.0760 -4.5091 -4.4765 PRESSURE: 4285000 122.563 56.7619 111.941 56.7616 30.6343 261.777 111.941 261.777 -86.8905 GPRESSURE: 4285000 109.614 48.5599 184.379 98.522 158.529 263.123 -8.51588 264.619 -106.904 PRESSAVG: 4285000 50.8011 45.4742 -1.66161 45.4742 -45.5093 27.7554 -1.66157 27.7553 -42.0111 GPRESSAVG: 4285000 50.4158 45.4391 -2.90824 44.4498 -43.7888 30.3559 -2.17026 27.6656 -43.2946 TIMING: 4285000 CPU: 12731.2, 0.00294561/step Wall: 12731.2, 0.00294561/step, 0.585032 hours remaining, 208.296875 MB of memory in use. ENERGY: 4285000 752.3657 2118.2246 1935.7019 103.3044 -206224.3896 17816.7809 0.0000 0.0000 34264.1712 -149233.8410 299.2375 -183498.0122 -149129.8724 299.3151 22.1022 53.7463 557333.0613 -12.2398 -12.2225 PRESSURE: 4285200 -128.543 110.379 -23.6848 110.38 119.442 152.126 -23.6844 152.126 1.15865 GPRESSURE: 4285200 -128.367 89.0263 -15.6359 242.541 93.4798 119.261 -112.906 75.456 134.852 PRESSAVG: 4285200 -13.5807 31.5127 9.76168 31.5127 0.293963 40.804 9.7616 40.8041 7.77309 GPRESSAVG: 4285200 -13.9552 32.1148 10.3278 30.7202 -1.07576 40.5883 11.0957 40.791 9.26532 TIMING: 4285200 CPU: 12731.8, 0.00294152/step Wall: 12731.8, 0.00294152/step, 0.584055 hours remaining, 208.296875 MB of memory in use. ENERGY: 4285200 710.1991 2097.2641 1931.8488 116.7990 -206179.4574 17812.5290 0.0000 0.0000 34300.0600 -149210.7574 299.5510 -183510.8174 -149115.1952 299.5483 -2.6475 33.3215 558621.7467 -1.8379 -1.9219 PRESSURE: 4285400 224.536 -101.155 -20.1759 -101.154 252.412 -68.39 -20.1765 -68.3882 279.849 GPRESSURE: 4285400 267.45 52.9337 -15.5287 -121.736 287.06 -22.9632 -59.2206 -133.045 296.779 PRESSAVG: 4285400 9.77873 -32.8262 -34.9602 -32.8261 -17.0786 6.48068 -34.9602 6.4806 9.16856 GPRESSAVG: 4285400 11.067 -33.2479 -36.1049 -32.6362 -18.0114 5.53878 -34.8012 6.35929 8.66675 TIMING: 4285400 CPU: 12732.4, 0.00294076/step Wall: 12732.4, 0.00294076/step, 0.583741 hours remaining, 208.296875 MB of memory in use. ENERGY: 4285400 749.5014 2106.6551 1917.7243 110.9102 -206940.8987 18408.3725 0.0000 0.0000 34230.3996 -149417.3356 298.9426 -183647.7352 -149320.3209 299.2547 252.2659 283.7628 556470.9639 0.6229 0.5741 PRESSURE: 4285600 95.3606 78.2081 -128.884 78.2073 -301.765 83.7444 -128.884 83.7446 -36.7215 GPRESSURE: 4285600 107.122 38.8414 -14.3261 136.021 -264.845 67.9457 -95.6444 151.082 -2.81931 PRESSAVG: 4285600 -5.10788 3.60318 22.4801 3.60315 30.992 -42.6697 22.4801 -42.6696 -38.805 GPRESSAVG: 4285600 -5.95388 3.11025 22.9832 4.25873 31.2361 -41.9857 22.7257 -41.9268 -37.721 TIMING: 4285600 CPU: 12732.9, 0.00296192/step Wall: 12732.9, 0.00296192/step, 0.587776 hours remaining, 208.296875 MB of memory in use. ENERGY: 4285600 772.5687 2046.5458 1936.2180 123.7222 -206344.4855 17796.2492 0.0000 0.0000 34048.0785 -149621.1030 297.3503 -183669.1815 -149528.1579 297.9921 -81.0419 -53.5141 557042.7236 -4.3069 -4.1462 PRESSURE: 4285800 165.975 -6.07213 -171.863 -6.07274 55.3831 -77.0276 -171.864 -77.0266 -67.8936 GPRESSURE: 4285800 103.631 25.391 -79.9586 -68.3893 152.769 -78.8938 -153.084 -62.3665 -10.7282 PRESSAVG: 4285800 -21.4302 13.0701 26.3531 13.0701 74.0153 -22.114 26.3529 -22.114 4.80846 GPRESSAVG: 4285800 -21.4424 14.3528 26.8956 11.9415 74.5364 -21.3682 26.6032 -21.4414 4.73459 TIMING: 4285800 CPU: 12733.5, 0.00296907/step Wall: 12733.5, 0.00296907/step, 0.589031 hours remaining, 208.296875 MB of memory in use. ENERGY: 4285800 745.7616 2108.5687 1931.2525 123.1274 -206810.7437 18097.1820 0.0000 0.0000 34219.6511 -149585.2004 298.8487 -183804.8515 -149496.7472 298.1588 51.1548 81.8905 557258.0137 19.1312 19.2762 PRESSURE: 4286000 164.941 88.5965 -102.859 88.5971 -164.972 224.994 -102.858 224.992 -15.6828 GPRESSURE: 4286000 185.793 111.27 -111.417 75.9142 -126.777 170.528 -105.36 205.968 13.4209 PRESSAVG: 4286000 -9.89533 -3.04589 -52.7113 -3.04591 -30.6521 -67.0125 -52.7113 -67.0125 -23.2725 GPRESSAVG: 4286000 -10.2917 -2.52509 -51.9262 -2.92275 -30.3037 -65.9866 -53.4296 -68.3519 -23.6639 TIMING: 4286000 CPU: 12734.1, 0.00294538/step Wall: 12734.1, 0.00294538/step, 0.584167 hours remaining, 208.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4286000 753.8134 2076.7643 1933.5451 111.0256 -206382.1559 17902.4095 0.0000 0.0000 34088.9162 -149515.6819 297.7070 -183604.5980 -149416.7668 297.6813 -5.2379 24.1456 558189.2703 -21.2733 -21.4198 PRESSURE: 4286200 70.7399 -150.617 -89.9799 -150.617 176.061 54.0704 -89.9803 54.0694 -362.927 GPRESSURE: 4286200 97.3331 -146.846 8.07172 -93.8781 130.101 -30.3953 -103.761 76.7394 -254.188 PRESSAVG: 4286200 -10.8036 -16.3672 7.04139 -16.3672 50.2969 25.2897 7.04133 25.2897 -27.6166 GPRESSAVG: 4286200 -10.6229 -18.6855 4.70394 -15.0647 49.2336 24.3846 7.15952 26.1583 -26.76 TIMING: 4286200 CPU: 12734.7, 0.00296202/step Wall: 12734.7, 0.00296202/step, 0.587302 hours remaining, 208.296875 MB of memory in use. ENERGY: 4286200 730.5816 2108.6528 1928.4595 123.1662 -206454.0254 17810.0099 0.0000 0.0000 34200.2419 -149552.9134 298.6792 -183753.1553 -149456.5381 298.0490 -38.7089 -8.9178 557166.5119 3.9589 3.9502 PRESSURE: 4286400 -55.6328 -20.1408 -15.7889 -20.1416 -87.7377 97.9733 -15.7885 97.9727 -470.744 GPRESSURE: 4286400 -41.4868 31.712 -35.9458 -131.973 -23.8702 188.099 23.1354 55.3593 -437.712 PRESSAVG: 4286400 43.9299 -73.0392 9.22089 -73.0392 18.6387 -9.66863 9.22081 -9.66862 -64.729 GPRESSAVG: 4286400 43.7838 -71.7993 11.0452 -74.459 19.5333 -9.40622 9.63787 -10.0824 -65.8883 TIMING: 4286400 CPU: 12735.3, 0.00296567/step Wall: 12735.3, 0.00296567/step, 0.587863 hours remaining, 208.296875 MB of memory in use. ENERGY: 4286400 741.7707 2097.2721 1952.9954 116.1839 -205922.5810 17473.8256 0.0000 0.0000 33940.9989 -149599.5344 296.4152 -183540.5333 -149503.0826 298.3903 -204.7050 -167.6897 558298.6263 -0.7201 -0.8571 PRESSURE: 4286600 -46.7464 6.77124 31.5935 6.77215 176.602 82.8378 31.5931 82.8379 -83.942 GPRESSURE: 4286600 13.4054 7.34534 -28.6863 -46.2979 169.005 28.7888 9.75671 104.773 -34.7489 PRESSAVG: 4286600 62.2046 -17.6816 -10.3582 -17.6815 16.2563 9.26735 -10.3582 9.26736 -75.3158 GPRESSAVG: 4286600 62.06 -19.3406 -9.4041 -15.7285 14.8168 7.86179 -13.4262 11.1958 -73.5047 TIMING: 4286600 CPU: 12735.9, 0.00296021/step Wall: 12735.9, 0.00296021/step, 0.586615 hours remaining, 208.296875 MB of memory in use. ENERGY: 4286600 782.5087 2092.0663 1921.4538 116.6300 -206402.9276 17938.9545 0.0000 0.0000 34072.8060 -149478.5084 297.5663 -183551.3144 -149385.0149 298.3429 15.3044 49.2205 556633.1298 1.0484 1.1240 PRESSURE: 4286800 -264.045 68.3438 -210.441 68.343 -172.71 65.8571 -210.442 65.8588 84.1932 GPRESSURE: 4286800 -154.259 29.4314 -175.908 89.5141 -146.44 142.578 -243.215 26.435 61.1466 PRESSAVG: 4286800 -6.58376 -46.5796 -47.269 -46.5797 -7.99004 61.7339 -47.2691 61.7339 13.611 GPRESSAVG: 4286800 -7.49889 -45.5129 -48.9722 -47.1909 -6.11882 62.3329 -44.2562 59.1196 12.5517 TIMING: 4286800 CPU: 12736.5, 0.00294315/step Wall: 12736.5, 0.00294315/step, 0.58307 hours remaining, 208.296875 MB of memory in use. ENERGY: 4286800 754.2593 2047.0403 1940.9438 111.8033 -206086.0602 17647.5441 0.0000 0.0000 34199.0211 -149385.4483 298.6686 -183584.4694 -149285.9275 298.3480 -117.5206 -79.8508 557732.4012 -0.3209 -0.3553 PRESSURE: 4287000 -455.71 -168.349 -49.8574 -168.349 -307.122 128.701 -49.8587 128.7 -209.362 GPRESSURE: 4287000 -460.801 -125.698 61.5334 -83.1151 -264.066 135.033 11.1696 119.144 -154.853 PRESSAVG: 4287000 -24.7704 -24.1786 -32.1169 -24.1785 -13.5825 -4.03793 -32.1169 -4.03788 1.11335 GPRESSAVG: 4287000 -23.0038 -24.2772 -32.1208 -23.3279 -14.8482 -3.89219 -33.1496 -2.78488 0.561511 TIMING: 4287000 CPU: 12737.1, 0.00291552/step Wall: 12737.1, 0.00291552/step, 0.577435 hours remaining, 208.296875 MB of memory in use. ENERGY: 4287000 740.3050 2089.6009 1925.9298 115.0315 -205787.1947 17390.6067 0.0000 0.0000 34145.3672 -149380.3536 298.2000 -183525.7208 -149293.0287 298.5998 -324.0646 -293.2402 557702.5118 -12.4132 -12.4302 PRESSURE: 4287200 -217.942 136.215 -6.6099 136.215 -259.74 96.1619 -6.60992 96.1642 -11.4494 GPRESSURE: 4287200 -229.546 93.8117 -9.48502 168.591 -209.745 84.4558 -39.2346 66.8316 47.61 PRESSAVG: 4287200 -86.2704 21.1862 -32.4507 21.1861 42.7114 27.1125 -32.4506 27.1126 46.7188 GPRESSAVG: 4287200 -86.4569 21.7406 -33.6003 18.7093 42.0817 27.6854 -30.6887 25.7766 47.8491 TIMING: 4287200 CPU: 12737.7, 0.00292665/step Wall: 12737.7, 0.00292665/step, 0.579477 hours remaining, 208.296875 MB of memory in use. ENERGY: 4287200 756.7634 2082.4421 1932.3311 123.9736 -205931.2490 17471.6482 0.0000 0.0000 34399.0836 -149165.0071 300.4158 -183564.0907 -149066.2487 299.3982 -163.0437 -130.5602 557071.4778 1.0533 1.1580 PRESSURE: 4287400 -74.31 -135.566 -96.3034 -135.567 97.844 -56.7829 -96.3026 -56.7839 -261.283 GPRESSURE: 4287400 -62.8075 -230.158 -113.986 -196.224 132.207 12.4117 -159.015 -81.9453 -214.799 PRESSAVG: 4287400 -19.8391 -1.8519 -10.0996 -1.85204 -12.4101 -3.70221 -10.0997 -3.70216 42.2317 GPRESSAVG: 4287400 -19.5156 -2.79012 -9.82787 -0.788114 -10.4669 -3.92962 -12.1312 -3.39228 40.13 TIMING: 4287400 CPU: 12738.2, 0.00292253/step Wall: 12738.2, 0.00292253/step, 0.578498 hours remaining, 208.296875 MB of memory in use. ENERGY: 4287400 742.1988 2066.1148 1940.4451 112.7192 -206162.5600 17720.2652 0.0000 0.0000 34337.8125 -149243.0043 299.8807 -183580.8168 -149149.1717 299.4329 -79.2496 -48.4664 557151.0470 3.3275 3.3825 PRESSURE: 4287600 -142.931 -74.9736 -42.6783 -74.9739 39.0496 98.7404 -42.6784 98.7409 94.4099 GPRESSURE: 4287600 -95.1816 -9.60082 4.06391 -48.4292 95.0396 67.2504 -22.1415 109.393 91.6594 PRESSAVG: 4287600 -41.2642 -39.1661 -34.3769 -39.1662 41.7568 18.9982 -34.3769 18.9983 6.48707 GPRESSAVG: 4287600 -42.1904 -39.395 -33.8478 -39.4119 40.6926 19.4773 -34.6702 18.0426 7.88116 TIMING: 4287600 CPU: 12738.8, 0.00293149/step Wall: 12738.8, 0.00293149/step, 0.580109 hours remaining, 208.296875 MB of memory in use. ENERGY: 4287600 764.5567 2099.7438 1937.2499 110.6834 -206114.3701 17756.2937 0.0000 0.0000 34289.7390 -149156.1036 299.4608 -183445.8425 -149060.1676 299.8598 -3.1571 30.5058 555406.1664 2.3265 2.1278 PRESSURE: 4287800 -114.322 -22.0167 -40.0591 -22.0172 -43.8529 -42.8109 -40.0576 -42.8111 -165.528 GPRESSURE: 4287800 -86.1674 -23.6902 -35.3459 -64.4081 4.55619 -109.445 -132.515 14.9759 -135.188 PRESSAVG: 4287800 -49.9368 -38.7011 32.8856 -38.7011 7.87806 -12.1455 32.8856 -12.1455 -11.3092 GPRESSAVG: 4287800 -49.6852 -36.4225 35.0829 -39.287 6.84772 -13.1786 32.0506 -9.70833 -10.5763 TIMING: 4287800 CPU: 12739.4, 0.00291972/step Wall: 12739.4, 0.00291972/step, 0.577618 hours remaining, 208.296875 MB of memory in use. ENERGY: 4287800 737.3447 2095.1718 1931.6767 114.7801 -206024.2565 17535.2166 0.0000 0.0000 34334.5178 -149275.5488 299.8519 -183610.0666 -149178.4158 298.9448 -107.9007 -72.2662 557845.9838 -17.7893 -17.8046 PRESSURE: 4288000 116.808 39.7485 32.2236 39.7471 137.521 -25.4682 32.2246 -25.4675 -47.4326 GPRESSURE: 4288000 199.283 95.7145 20.6397 86.4405 168.446 24.4024 83.7186 54.9485 -74.9047 PRESSAVG: 4288000 -13.3694 -74.2135 -21.5193 -74.2135 19.7206 55.0538 -21.5193 55.0537 -28.2605 GPRESSAVG: 4288000 -13.3113 -76.1344 -22.3352 -74.844 21.2638 55.3552 -21.1699 53.9967 -29.8738 TIMING: 4288000 CPU: 12740, 0.00290639/step Wall: 12740, 0.00290639/step, 0.57482 hours remaining, 208.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4288000 737.6012 2089.9693 1934.6784 121.3845 -206150.7483 17826.8512 0.0000 0.0000 34051.2939 -149388.9698 297.3784 -183440.2637 -149281.8518 299.1684 68.9657 97.6080 557806.6552 -7.3031 -7.3071 PRESSURE: 4288200 -46.1951 57.1888 -69.6741 57.1879 55.8242 -5.58887 -69.675 -5.58837 -19.5286 GPRESSURE: 4288200 -41.5653 76.5681 -47.8716 61.1138 84.8184 29.4616 -104.655 45.1217 47.1196 PRESSAVG: 4288200 -13.0306 -7.06497 -8.76088 -7.06509 4.97895 41.8581 -8.76087 41.8582 -13.9064 GPRESSAVG: 4288200 -13.6486 -7.47425 -7.72677 -6.24182 4.89134 42.0473 -7.96509 42.2331 -13.0826 TIMING: 4288200 CPU: 12740.6, 0.00293392/step Wall: 12740.6, 0.00293392/step, 0.5801 hours remaining, 208.296875 MB of memory in use. ENERGY: 4288200 734.5686 2088.4385 1922.8401 107.9750 -206447.6158 17818.2537 0.0000 0.0000 34290.1480 -149485.3918 299.4644 -183775.5398 -149381.6930 298.6238 -3.2998 30.1242 556221.5748 -7.3194 -7.2800 LDB: ============= START OF LOAD BALANCING ============== 12744.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12744.1 LDB: =============== DONE WITH MIGRATION ================ 12744.1 LDB: ============= START OF LOAD BALANCING ============== 12744.4 LDB: Largest compute 4796 load 0.022008 is 18.6% of average load 0.118215 LDB: Average compute 0.001746 is 1.5% of average load 0.118215 LDB: TIME 12744.4 LOAD: AVG 0.118215 MAX 0.197496 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.613 MB LDB: TIME 12744.4 LOAD: AVG 0.118215 MAX 0.197496 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.816 MB LDB: TIME 12744.4 LOAD: AVG 0.118215 MAX 0.197496 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.816 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12744.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12744.4 PRESSURE: 4288400 -226.992 -91.6129 -23.9538 -91.6117 63.2454 140.32 -23.9528 140.32 6.51634 GPRESSURE: 4288400 -189.147 -43.4732 8.82584 -123.072 76.183 110.347 -51.4718 99.1219 47.2561 PRESSAVG: 4288400 -9.87996 -7.43576 -45.2629 -7.43577 -19.2103 53.934 -45.2629 53.934 31.1993 GPRESSAVG: 4288400 -10.0956 -7.66806 -46.1827 -6.29302 -19.0659 52.6422 -46.5695 54.6219 31.3022 TIMING: 4288400 CPU: 12741.2, 0.00302568/step Wall: 12741.2, 0.00302568/step, 0.598075 hours remaining, 208.433594 MB of memory in use. ENERGY: 4288400 777.5714 2091.3443 1896.2862 106.4264 -206238.4666 17938.7822 0.0000 0.0000 34099.4648 -149328.5914 297.7991 -183428.0562 -149230.1527 298.3990 -52.4101 -21.9025 557839.9697 0.7030 0.7135 PRESSURE: 4288600 359.458 -2.34611 206.873 -2.347 155.836 -67.3283 206.872 -67.3286 -7.29395 GPRESSURE: 4288600 391.111 49.3025 181.249 15.3826 182.848 -22.371 189.457 -98.234 31.26 PRESSAVG: 4288600 -7.27675 -14.0729 -12.3049 -14.0729 41.4776 34.5173 -12.3051 34.5172 -51.8747 GPRESSAVG: 4288600 -7.50036 -12.0109 -12.1262 -15.6045 42.469 34.7789 -11.9459 34.5686 -52.31 TIMING: 4288600 CPU: 12741.8, 0.00297276/step Wall: 12741.8, 0.00297276/step, 0.587451 hours remaining, 208.632812 MB of memory in use. ENERGY: 4288600 744.1985 2092.2275 1942.4039 113.5652 -206691.4498 18158.1959 0.0000 0.0000 34297.4934 -149343.3654 299.5285 -183640.8588 -149249.7857 298.2996 169.3332 201.7397 557162.2548 -5.8913 -5.7805 PRESSURE: 4288800 -164.873 93.0222 -65.9866 93.0242 39.1367 -47.4455 -65.9871 -47.4449 188.707 GPRESSURE: 4288800 -189.367 54.4614 -44.3742 80.954 56.8848 -65.9716 -86.8631 -12.0828 280.098 PRESSAVG: 4288800 19.1707 -32.0366 -39.7143 -32.0366 -41.0725 35.5915 -39.7143 35.5916 32.3688 GPRESSAVG: 4288800 20.2422 -33.2096 -39.9435 -30.5047 -41.7157 33.9857 -40.286 36.901 32.0639 TIMING: 4288800 CPU: 12742.4, 0.0029522/step Wall: 12742.4, 0.0029522/step, 0.583223 hours remaining, 208.632812 MB of memory in use. ENERGY: 4288800 743.6040 2117.9158 1947.6369 111.8012 -206481.5111 17938.7635 0.0000 0.0000 34228.7484 -149393.0414 298.9282 -183621.7898 -149303.8110 298.9223 20.9901 49.2051 558008.7357 3.4890 3.5302 PRESSURE: 4289000 -142.844 202.068 -113.68 202.069 -148.884 57.5203 -113.68 57.5205 338.538 GPRESSURE: 4289000 -71.8739 222.384 -104.727 151.694 -87.0646 89.9847 -92.1565 -29.0913 293.372 PRESSAVG: 4289000 -66.447 -4.30373 79.0997 -4.30366 -35.5501 23.7627 79.0996 23.7627 95.5252 GPRESSAVG: 4289000 -65.8329 -3.63116 77.4376 -6.24398 -36.6512 25.2095 80.0103 21.618 95.7606 TIMING: 4289000 CPU: 12743, 0.00295447/step Wall: 12743, 0.00295447/step, 0.583508 hours remaining, 208.632812 MB of memory in use. ENERGY: 4289000 724.3177 2138.5187 1931.3635 110.5484 -206375.8542 17930.4703 0.0000 0.0000 34102.7427 -149437.8929 297.8277 -183540.6356 -149342.4523 299.1663 15.6033 44.8113 557966.6962 -2.1573 -2.2412 PRESSURE: 4289200 -249.291 -97.2084 42.0812 -97.2084 -145.316 -72.5665 42.0811 -72.5653 53.1359 GPRESSURE: 4289200 -198.487 -27.7118 77.8729 -75.5074 -103.701 -21.6796 -4.5653 -103.34 60.5007 PRESSAVG: 4289200 -25.9502 34.4659 -48.6269 34.4659 20.3566 -29.136 -48.6268 -29.1361 4.35685 GPRESSAVG: 4289200 -27.0153 33.8368 -48.3187 36.3124 21.2747 -29.8019 -49.2676 -28.5876 4.25373 TIMING: 4289200 CPU: 12743.6, 0.00296039/step Wall: 12743.6, 0.00296039/step, 0.584512 hours remaining, 208.632812 MB of memory in use. ENERGY: 4289200 726.6731 2117.5641 1970.5243 113.5587 -206395.8318 17742.3842 0.0000 0.0000 34211.2588 -149513.8686 298.7754 -183725.1274 -149415.8031 298.2761 -113.8238 -80.5625 557756.1922 -0.4123 -0.4956 PRESSURE: 4289400 16.2717 121.886 129.633 121.886 36.2051 -46.9638 129.634 -46.962 110.372 GPRESSURE: 4289400 88.655 118.21 172.143 126.391 85.3912 -74.9134 85.4676 -13.626 77.949 PRESSAVG: 4289400 10.3487 49.7995 39.5678 49.7996 -28.3684 24.6001 39.5678 24.6001 33.2321 GPRESSAVG: 4289400 9.78866 51.4054 39.0238 46.4759 -28.5988 26.0457 39.8203 23.219 33.3875 TIMING: 4289400 CPU: 12744.1, 0.0029286/step Wall: 12744.1, 0.0029286/step, 0.578073 hours remaining, 208.632812 MB of memory in use. ENERGY: 4289400 715.8984 2062.5679 1939.0571 118.9638 -206603.3129 17901.5700 0.0000 0.0000 34269.0682 -149596.1874 299.2803 -183865.2556 -149500.6028 298.4242 54.2830 83.9984 557652.8813 5.0708 4.8591 PRESSURE: 4289600 71.7419 58.9954 93.6207 58.9955 13.1931 26.0058 93.6205 26.007 35.3872 GPRESSURE: 4289600 114.155 -53.5323 113.347 129.965 51.0601 14.8117 57.96 23.9394 41.8469 PRESSAVG: 4289600 18.0644 -13.1395 57.7752 -13.1395 1.14834 28.4154 57.7751 28.4154 30.8511 GPRESSAVG: 4289600 17.8365 -16.3716 56.917 -9.49565 1.37817 26.6172 57.3759 28.8653 30.6521 TIMING: 4289600 CPU: 12744.7, 0.00292952/step Wall: 12744.7, 0.00292952/step, 0.578092 hours remaining, 208.632812 MB of memory in use. ENERGY: 4289600 760.3346 2075.9043 1927.2780 105.8067 -206430.3744 17944.0920 0.0000 0.0000 34066.9475 -149550.0113 297.5151 -183616.9588 -149458.9746 298.1647 40.1074 69.0207 558007.2612 16.6879 16.6222 PRESSURE: 4289800 190.43 13.9422 63.5109 13.9416 -25.1159 -42.8038 63.5111 -42.8041 -302.719 GPRESSURE: 4289800 198.446 24.7946 91.8426 74.7281 -20.0236 11.8276 26.9229 16.1105 -225.995 PRESSAVG: 4289800 7.2039 -9.08137 39.966 -9.08137 27.9104 -40.7198 39.9661 -40.7198 -41.783 GPRESSAVG: 4289800 6.76368 -7.06015 43.1751 -8.32522 27.1499 -40.499 38.6942 -40.4258 -40.3718 TIMING: 4289800 CPU: 12745.3, 0.00291912/step Wall: 12745.3, 0.00291912/step, 0.575878 hours remaining, 208.632812 MB of memory in use. ENERGY: 4289800 759.1262 2172.1970 1934.4766 119.2318 -206432.7130 17765.5901 0.0000 0.0000 34267.7775 -149414.3139 299.2690 -183682.0914 -149320.0995 298.5969 -45.8015 -15.8576 557398.2267 -2.2229 -2.1527 PRESSURE: 4290000 -18.6177 -27.7986 -27.4087 -27.7995 -117.08 97.3071 -27.4096 97.3095 -266.358 GPRESSURE: 4290000 41.8917 -8.98748 0.400414 3.11035 -86.9126 109.105 11.6757 94.2773 -246.422 PRESSAVG: 4290000 67.1282 11.6318 34.1458 11.6318 -23.3323 -15.2571 34.1458 -15.2571 -50.359 GPRESSAVG: 4290000 66.6721 9.85773 32.0041 10.6156 -23.8219 -14.8181 36.1719 -15.0457 -49.5914 TIMING: 4290000 CPU: 12745.9, 0.00294034/step Wall: 12745.9, 0.00294034/step, 0.5799 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4290000 759.6457 2124.7739 1963.8843 115.8306 -206116.4601 17683.5031 0.0000 0.0000 34043.6668 -149425.1556 297.3118 -183468.8224 -149333.6489 298.2271 -134.0186 -97.1477 557977.9805 -2.1877 -2.2470 PRESSURE: 4290200 21.4554 144.099 -68.4211 144.098 -92.2823 50.9232 -68.4206 50.9233 -21.5294 GPRESSURE: 4290200 64.6164 180.439 -116.819 96.2362 -50.2662 49.5406 12.0916 81.651 -17.1617 PRESSAVG: 4290200 -30.2003 -10.4091 -11.1105 -10.4092 -11.9896 26.6911 -11.1107 26.691 22.2841 GPRESSAVG: 4290200 -29.1795 -8.52508 -9.15925 -11.5869 -11.1923 26.0542 -11.0186 26.9678 20.6814 TIMING: 4290200 CPU: 12746.5, 0.00294024/step Wall: 12746.5, 0.00294024/step, 0.579718 hours remaining, 208.632812 MB of memory in use. ENERGY: 4290200 742.1119 2061.0649 1972.5395 123.0713 -206623.7205 18080.3143 0.0000 0.0000 34103.2989 -149541.3197 297.8326 -183644.6186 -149449.7694 297.7813 -30.7854 -0.9372 558394.9062 -6.6353 -6.5635 PRESSURE: 4290400 116.204 42.7022 79.9187 42.7027 -72.4329 -31.0086 79.9198 -31.0076 37.8153 GPRESSURE: 4290400 174.731 95.2924 30.0234 10.2149 -49.1032 -59.4475 106.458 56.2297 55.76 PRESSAVG: 4290400 19.0884 42.1281 52.4697 42.128 4.26969 -45.7893 52.4698 -45.7894 -13.6247 GPRESSAVG: 4290400 19.034 41.9664 51.3558 42.3791 4.78424 -45.5757 52.8479 -45.2649 -13.7056 TIMING: 4290400 CPU: 12747.1, 0.0029113/step Wall: 12747.1, 0.0029113/step, 0.573849 hours remaining, 208.632812 MB of memory in use. ENERGY: 4290400 680.4086 2121.3194 1930.4450 128.9956 -206451.6249 17969.7589 0.0000 0.0000 34258.0452 -149362.6521 299.1840 -183620.6973 -149268.0052 298.1196 27.1954 60.4626 558769.8555 3.2445 3.3709 PRESSURE: 4290600 -86.4592 -140.103 -13.2016 -140.102 -68.4894 26.0256 -13.2021 26.0258 -91.1003 GPRESSURE: 4290600 14.9346 -112.893 62.5002 -175.185 -85.5046 28.6967 8.55441 -0.597487 -80.2218 PRESSAVG: 4290600 41.9388 28.5912 31.0127 28.5913 -16.5413 57.889 31.0127 57.8891 -17.6109 GPRESSAVG: 4290600 41.9782 30.5058 30.496 27.734 -16.3342 58.6668 30.8144 55.5473 -18.5555 TIMING: 4290600 CPU: 12747.7, 0.00293405/step Wall: 12747.7, 0.00293405/step, 0.57817 hours remaining, 208.632812 MB of memory in use. ENERGY: 4290600 720.6893 2100.2851 1944.1980 105.7711 -206243.1934 17855.8659 0.0000 0.0000 34047.4784 -149468.9055 297.3451 -183516.3839 -149374.6907 298.5361 -82.0163 -50.2639 558849.5853 2.5955 2.3628 PRESSURE: 4290800 422.01 13.0602 65.4717 13.0607 -21.8603 175.392 65.4719 175.392 -66.4674 GPRESSURE: 4290800 396.306 -57.7978 8.15092 -20.8397 19.0932 255.809 45.2282 179.156 13.692 PRESSAVG: 4290800 83.3448 -49.2141 48.0048 -49.2141 -50.1718 19.7389 48.0048 19.7388 -25.9026 GPRESSAVG: 4290800 82.7594 -49.697 49.0963 -48.225 -49.5074 21.0447 47.9663 19.5273 -26.093 TIMING: 4290800 CPU: 12748.2, 0.00295229/step Wall: 12748.2, 0.0029523/step, 0.581602 hours remaining, 208.632812 MB of memory in use. ENERGY: 4290800 709.9872 2054.1166 1950.1127 112.8463 -206627.5567 18032.5653 0.0000 0.0000 34360.8287 -149407.0999 300.0817 -183767.9286 -149311.9522 298.8826 111.2275 143.0304 557768.1582 2.4235 2.3864 PRESSURE: 4291000 -9.45246 31.8596 141.002 31.8576 230.262 -58.8568 141.002 -58.857 142.291 GPRESSURE: 4291000 68.3892 50.0244 107.864 10.8276 253.513 -64.1401 180.071 -52.8375 148.25 PRESSAVG: 4291000 76.9512 -9.86895 13.1657 -9.86905 -5.81674 -2.69588 13.1657 -2.69592 -40.4472 GPRESSAVG: 4291000 77.7694 -10.7964 9.91977 -10.0693 -6.34993 -3.06318 14.2343 -0.530255 -41.2282 TIMING: 4291000 CPU: 12748.8, 0.0029624/step Wall: 12748.8, 0.0029624/step, 0.583428 hours remaining, 208.632812 MB of memory in use. ENERGY: 4291000 765.4457 2064.0002 1964.3321 109.0532 -206492.5402 17993.3768 0.0000 0.0000 34363.7563 -149232.5759 300.1072 -183596.3322 -149135.4617 299.1073 121.0336 156.7174 556670.9491 10.2291 10.0638 PRESSURE: 4291200 -16.1572 -76.6914 166.295 -76.6905 -45.618 18.7876 166.294 18.787 29.7087 GPRESSURE: 4291200 -15.7396 -166.018 130.26 59.9727 -55.2614 24.0243 162.469 59.1915 133.39 PRESSAVG: 4291200 54.7134 37.3634 31.1477 37.3634 -14.3071 22.1405 31.1478 22.1405 11.4682 GPRESSAVG: 4291200 54.0746 35.9329 34.3212 38.0479 -14.3692 21.9389 28.3699 21.2027 12.2554 TIMING: 4291200 CPU: 12749.4, 0.00292792/step Wall: 12749.4, 0.00292792/step, 0.576475 hours remaining, 208.632812 MB of memory in use. ENERGY: 4291200 713.3766 2122.5681 1960.1390 116.4105 -206359.7676 17859.5921 0.0000 0.0000 34406.1579 -149181.5234 300.4775 -183587.6813 -149085.5385 299.3806 -10.6888 20.7963 556825.2637 17.2915 17.3203 PRESSURE: 4291400 259.113 124.608 -216.4 124.609 260.75 87.2159 -216.401 87.216 19.9176 GPRESSURE: 4291400 301.243 104.156 -192.41 83.9866 260.004 125.043 -181.833 58.4965 66.6023 PRESSAVG: 4291400 2.68385 -27.3299 -55.367 -27.3298 17.8068 35.8301 -55.367 35.8302 12.2356 GPRESSAVG: 4291400 2.08337 -25.7594 -55.0213 -26.7378 16.7965 33.9536 -53.3701 35.7774 13.452 TIMING: 4291400 CPU: 12750, 0.00295526/step Wall: 12750, 0.00295526/step, 0.581694 hours remaining, 208.632812 MB of memory in use. ENERGY: 4291400 759.2547 2139.1602 1970.8284 97.1255 -206542.5864 18140.6853 0.0000 0.0000 34186.1071 -149249.4251 298.5558 -183435.5322 -149150.9882 299.7265 179.9266 209.2830 556786.5619 10.9088 10.7773 PRESSURE: 4291600 -42.5821 10.778 -16.2731 10.7783 -268.368 85.1344 -16.2736 85.1339 -144.901 GPRESSURE: 4291600 -26.9422 9.20395 11.2037 -35.704 -230.841 147.369 -60.3056 124.096 -93.4936 PRESSAVG: 4291600 -36.4845 -41.3632 -24.6317 -41.3632 61.939 15.7752 -24.6317 15.7752 -43.1401 GPRESSAVG: 4291600 -35.2051 -41.4002 -25.5064 -43.4848 62.1733 16.0877 -24.482 15.2705 -44.7418 TIMING: 4291600 CPU: 12750.6, 0.00293389/step Wall: 12750.6, 0.00293389/step, 0.577325 hours remaining, 208.632812 MB of memory in use. ENERGY: 4291600 761.2360 2056.3359 1957.5952 114.4221 -206289.7087 17790.5604 0.0000 0.0000 34427.9364 -149181.6226 300.6677 -183609.5590 -149084.8464 300.0206 -151.9503 -117.0922 557409.0447 -5.8952 -5.9245 PRESSURE: 4291800 -52.8301 49.973 32.9808 49.9731 -186.16 -36.8203 32.9818 -36.8182 -195.74 GPRESSURE: 4291800 8.20565 42.3751 -77.3011 92.3559 -176.947 -94.6467 -13.3604 14.8693 -172.259 PRESSAVG: 4291800 2.75821 6.42066 -14.5558 6.42053 54.7371 32.0102 -14.5558 32.0102 -51.9655 GPRESSAVG: 4291800 2.1016 6.60701 -15.813 7.24424 54.2924 32.63 -16.5146 33.1821 -51.1234 TIMING: 4291800 CPU: 12751.2, 0.00293848/step Wall: 12751.2, 0.00293848/step, 0.578064 hours remaining, 208.632812 MB of memory in use. ENERGY: 4291800 747.6583 2108.6884 1949.2705 112.5209 -205713.4086 17398.3640 0.0000 0.0000 34330.2929 -149066.6136 299.8150 -183396.9065 -148962.9641 300.0202 -144.9099 -113.6667 557318.7349 1.8433 1.7569 PRESSURE: 4292000 -48.8342 -201.887 -98.6394 -201.888 -47.0375 -84.0271 -98.6405 -84.0273 -157.137 GPRESSURE: 4292000 -37.2722 -254.639 -145.667 -86.1713 -6.10088 -39.8727 -91.9206 -44.8915 -115.979 PRESSAVG: 4292000 100.722 -1.23182 27.378 -1.23185 -41.6317 -5.64037 27.378 -5.6404 -38.845 GPRESSAVG: 4292000 99.5589 -1.37546 26.538 -0.0424156 -40.6432 -4.61672 29.8962 -7.53316 -38.6104 TIMING: 4292000 CPU: 12751.8, 0.00294014/step Wall: 12751.8, 0.00294014/step, 0.578227 hours remaining, 208.632812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4292000 733.7576 2133.5330 1928.1614 107.5014 -206465.2762 17778.8250 0.0000 0.0000 34439.4324 -149344.0655 300.7681 -183783.4979 -149241.6311 298.9294 -84.3364 -53.1173 557050.5676 6.7484 6.7684 PRESSURE: 4292200 317.252 96.3205 139.356 96.3213 6.34662 -10.9594 139.354 -10.9587 51.7707 GPRESSURE: 4292200 309.796 70.5305 95.6042 113.256 44.7397 -81.2219 101.014 18.8372 105.85 PRESSAVG: 4292200 -23.8571 36.9892 23.3505 36.9893 23.0454 -41.4196 23.3504 -41.4196 2.06936 GPRESSAVG: 4292200 -22.5871 36.4124 23.4957 35.4476 22.1489 -41.0237 21.0254 -42.1258 1.23615 TIMING: 4292200 CPU: 12752.4, 0.00294494/step Wall: 12752.4, 0.00294494/step, 0.579008 hours remaining, 208.632812 MB of memory in use. ENERGY: 4292200 748.2446 2063.1535 1924.3478 109.2983 -206599.2941 17989.6868 0.0000 0.0000 34356.3921 -149408.1711 300.0429 -183764.5632 -149313.7384 298.9466 125.1232 153.4619 557413.3990 0.4192 0.2660 LDB: ============= START OF LOAD BALANCING ============== 12755.9 LDB: ============== END OF LOAD BALANCING =============== 12755.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12755.9 LDB: ============= START OF LOAD BALANCING ============== 12756.2 LDB: Largest compute 4802 load 0.023656 is 20.0% of average load 0.118195 LDB: Average compute 0.001733 is 1.5% of average load 0.118195 LDB: TIME 12756.2 LOAD: AVG 0.118195 MAX 0.197672 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.922 MB LDB: TIME 12756.2 LOAD: AVG 0.118195 MAX 0.197672 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.926 MB LDB: TIME 12756.2 LOAD: AVG 0.118195 MAX 0.197672 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.926 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12756.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12756.2 PRESSURE: 4292400 -97.4689 -82.3555 -99.5769 -82.3565 -189.665 -105.942 -99.5769 -105.944 -284.151 GPRESSURE: 4292400 -56.8697 -34.6828 -58.8048 -69.9628 -169.889 -104.356 -86.4191 -67.9419 -248.467 PRESSAVG: 4292400 30.097 47.2039 -37.6349 47.2039 8.56623 25.4053 -37.635 25.4053 12.2621 GPRESSAVG: 4292400 29.9497 47.3573 -35.6822 47.6559 8.34349 24.0818 -37.6674 26.8849 12.7181 TIMING: 4292400 CPU: 12753, 0.00299948/step Wall: 12753, 0.00299948/step, 0.589564 hours remaining, 207.515625 MB of memory in use. ENERGY: 4292400 744.4260 2099.7865 1941.0113 104.2301 -206077.9910 17551.4674 0.0000 0.0000 34233.1597 -149403.9101 298.9667 -183637.0698 -149310.9685 299.0292 -190.4284 -158.4087 557501.3435 16.9751 17.0038 PRESSURE: 4292600 17.4903 -121.348 -231.075 -121.348 121.019 19.8507 -231.075 19.8517 -24.5345 GPRESSURE: 4292600 100.904 -194.202 -159.288 -84.8028 149.315 24.2848 -166.953 68.6443 -42.525 PRESSAVG: 4292600 2.29416 6.53435 -15.946 6.53433 16.5946 -11.0979 -15.9459 -11.0978 -36.1196 GPRESSAVG: 4292600 1.65049 6.34736 -17.3277 6.67875 16.7992 -12.3167 -15.2916 -9.12796 -35.7278 TIMING: 4292600 CPU: 12753.6, 0.00295162/step Wall: 12753.6, 0.00295162/step, 0.579994 hours remaining, 207.515625 MB of memory in use. ENERGY: 4292600 758.2813 2024.4231 1950.9935 118.9148 -206476.7973 18024.1651 0.0000 0.0000 34311.9634 -149288.0562 299.6549 -183600.0195 -149187.0026 299.3005 37.9915 69.2313 555969.6922 -5.7436 -5.7594 PRESSURE: 4292800 -185.233 -23.7388 -168.37 -23.7401 60.4337 -1.03531 -168.371 -1.03621 147.579 GPRESSURE: 4292800 -133.555 -13.1818 -277.575 -37.006 47.1984 59.2532 -73.8971 -32.1913 207.285 PRESSAVG: 4292800 31.336 2.88613 22.7171 2.88601 11.911 29.8862 22.7171 29.8861 -87.2317 GPRESSAVG: 4292800 31.0187 4.0515 22.2412 2.53922 12.615 30.6161 22.8567 27.6724 -87.2088 TIMING: 4292800 CPU: 12754.1, 0.00293194/step Wall: 12754.1, 0.00293194/step, 0.575964 hours remaining, 207.515625 MB of memory in use. ENERGY: 4292800 743.3004 2138.3849 1960.1045 133.2487 -206490.7261 18031.5421 0.0000 0.0000 34104.7441 -149379.4015 297.8452 -183484.1456 -149280.6314 298.6987 7.5935 40.3093 557450.7954 -14.6616 -14.5250 PRESSURE: 4293000 160.548 48.4165 -16.6035 48.4158 321.22 -80.6259 -16.6043 -80.6258 -54.4858 GPRESSURE: 4293000 212.16 -2.42212 12.6051 132.379 350.673 -64.1015 -20.4767 -71.8183 -44.803 PRESSAVG: 4293000 2.46392 5.29789 10.3105 5.29784 42.6726 -35.9647 10.3105 -35.9648 -83.5202 GPRESSAVG: 4293000 4.25222 2.62267 10.7597 5.32976 41.1448 -36.7237 11.9427 -33.6735 -83.6544 TIMING: 4293000 CPU: 12754.7, 0.00292819/step Wall: 12754.7, 0.0029282/step, 0.575065 hours remaining, 207.515625 MB of memory in use. ENERGY: 4293000 754.7962 2076.6001 1940.9539 113.3418 -206867.0066 18119.7167 0.0000 0.0000 34485.1029 -149376.4950 301.1670 -183861.5979 -149277.1322 299.6888 142.4272 172.6767 557307.3081 -12.7945 -12.7524 PRESSURE: 4293200 -63.5083 116.914 91.3514 116.916 -271.657 93.6627 91.3512 93.6637 -97.0804 GPRESSURE: 4293200 -63.0558 25.9586 142.732 177.082 -188.429 125.329 134.331 62.0279 -72.6252 PRESSAVG: 4293200 -19.8676 10.7586 -8.42785 10.7586 77.0615 31.4259 -8.42791 31.4259 -25.2754 GPRESSAVG: 4293200 -21.2535 11.4306 -5.45078 9.27429 78.0431 33.223 -12.0468 29.2244 -24.5559 TIMING: 4293200 CPU: 12755.3, 0.00294032/step Wall: 12755.3, 0.00294032/step, 0.577284 hours remaining, 207.515625 MB of memory in use. ENERGY: 4293200 737.6754 2051.0214 1917.9773 109.8454 -205919.4358 17577.6579 0.0000 0.0000 34278.6281 -149246.6304 299.3638 -183525.2584 -149142.9225 298.8161 -144.0818 -108.0368 558116.6021 10.6395 10.7446 PRESSURE: 4293400 -46.553 -38.94 144.503 -38.9396 206.693 238.403 144.504 238.403 83.1457 GPRESSURE: 4293400 -6.01118 -16.1038 206.668 -1.77147 227.105 200.43 165.537 184.325 115.047 PRESSAVG: 4293400 -91.8697 -9.89009 -3.84584 -9.89002 82.2188 62.2807 -3.84582 62.2808 2.31284 GPRESSAVG: 4293400 -90.859 -8.36058 -5.91431 -7.86179 82.0487 60.7483 -1.90639 63.7121 1.48856 TIMING: 4293400 CPU: 12755.9, 0.00291776/step Wall: 12755.9, 0.00291776/step, 0.572691 hours remaining, 207.515625 MB of memory in use. ENERGY: 4293400 770.7396 2128.0353 1922.8153 103.8943 -206533.6897 17898.2767 0.0000 0.0000 34452.0240 -149257.9046 300.8781 -183709.9286 -149160.8438 299.8299 81.0953 112.0467 554322.7949 -2.4460 -2.4406 PRESSURE: 4293600 12.0714 39.8818 6.22204 39.8814 -39.667 -41.1397 6.22378 -41.1418 -119.723 GPRESSURE: 4293600 54.1387 29.9425 -35.3935 63.406 11.8091 -38.6629 -44.755 -27.9985 -108.897 PRESSAVG: 4293600 -12.3703 -1.38723 -47.5207 -1.38725 40.9438 40.8094 -47.5207 40.8094 -30.7753 GPRESSAVG: 4293600 -12.6113 -1.10505 -47.2054 -2.50249 41.1536 41.8444 -47.6139 41.2655 -30.3882 TIMING: 4293600 CPU: 12756.5, 0.00294953/step Wall: 12756.5, 0.00294953/step, 0.578764 hours remaining, 207.515625 MB of memory in use. ENERGY: 4293600 716.2361 2033.7157 1924.1871 114.8716 -206173.9399 17798.9682 0.0000 0.0000 34373.5397 -149212.4215 300.1927 -183585.9612 -149122.0511 299.9531 -49.1061 -14.3164 556811.7620 -0.7339 -0.6153 PRESSURE: 4293800 234.871 4.79585 115.082 4.79586 85.822 -42.8912 115.083 -42.8896 298.278 GPRESSURE: 4293800 268.757 2.39516 143.76 123.92 82.8213 -90.5246 164.241 -50.1359 365.223 PRESSAVG: 4293800 -30.3003 28.7515 3.20496 28.7515 61.9033 19.4265 3.20491 19.4265 -25.9 GPRESSAVG: 4293800 -30.5531 29.3279 4.15414 28.3073 61.9571 19.1909 3.78456 19.0253 -26.5874 TIMING: 4293800 CPU: 12757.1, 0.00294904/step Wall: 12757.1, 0.00294904/step, 0.578504 hours remaining, 207.515625 MB of memory in use. ENERGY: 4293800 700.9492 2049.8241 1935.7144 108.0246 -206323.1489 17945.0320 0.0000 0.0000 34430.8229 -149152.7816 300.6929 -183583.6045 -149048.5604 299.8217 206.3236 238.9338 556770.6291 1.9010 1.6056 PRESSURE: 4294000 118.799 127.896 -158.553 127.896 -62.1172 -232.79 -158.554 -232.791 158.104 GPRESSURE: 4294000 100.943 135.086 -146.779 155.262 -48.2296 -227.648 -136.065 -234.59 237.511 PRESSAVG: 4294000 -64.5424 -1.89446 -16.8589 -1.89444 -3.62535 -60.2077 -16.8589 -60.2077 50.3062 GPRESSAVG: 4294000 -64.3384 -4.07171 -17.4757 -2.39035 -3.61687 -59.8047 -20.2762 -60.1645 50.2602 TIMING: 4294000 CPU: 12757.7, 0.00292712/step Wall: 12757.7, 0.00292712/step, 0.574041 hours remaining, 207.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4294000 743.1226 2091.4306 1929.2925 102.1463 -206263.2473 17962.7518 0.0000 0.0000 34117.5961 -149316.9073 297.9575 -183434.5034 -149222.3418 299.3512 71.5950 96.7416 556211.8033 -5.9539 -5.8983 PRESSURE: 4294200 106.047 -83.8267 -128.025 -83.8263 323.3 137.456 -128.024 137.456 2.62641 GPRESSURE: 4294200 179.048 -82.4444 -192.097 -85.7612 352.501 126.224 -98.8989 179.618 3.50776 PRESSAVG: 4294200 -48.1684 14.4641 -41.3462 14.4643 48.5341 -7.64757 -41.3462 -7.64748 15.1383 GPRESSAVG: 4294200 -48.8714 14.6789 -41.2631 16.1548 49.0879 -8.77911 -39.0565 -6.64469 15.1936 TIMING: 4294200 CPU: 12758.3, 0.00295067/step Wall: 12758.3, 0.00295067/step, 0.578495 hours remaining, 207.515625 MB of memory in use. ENERGY: 4294200 741.6087 2000.4479 1953.5667 126.3048 -206397.4057 17938.7596 0.0000 0.0000 34072.1135 -149564.6044 297.5602 -183636.7179 -149481.5139 298.4396 143.9911 178.3521 554730.8162 5.1680 5.1367 PRESSURE: 4294400 0.4662 175.209 68.0706 175.21 -283.694 -73.2241 68.0701 -73.2243 -335.201 GPRESSURE: 4294400 6.38706 86.2037 17.7995 272.774 -224.246 -92.6201 157.441 -43.1927 -304.695 PRESSAVG: 4294400 -34.2243 26.0155 -26.8496 26.0156 2.84824 -43.6283 -26.8496 -43.6284 16.3792 GPRESSAVG: 4294400 -33.5774 26.2127 -25.4946 24.4421 2.78267 -43.4581 -28.9103 -45.0932 16.1847 TIMING: 4294400 CPU: 12758.9, 0.00297279/step Wall: 12758.9, 0.00297279/step, 0.582667 hours remaining, 207.515625 MB of memory in use. ENERGY: 4294400 749.1072 2026.6938 1927.3812 110.2659 -206170.4928 17574.6566 0.0000 0.0000 34227.2381 -149555.1500 298.9150 -183782.3881 -149452.4777 298.5944 -206.1431 -174.1846 557390.1845 -4.9989 -4.8700 PRESSURE: 4294600 111.091 46.3963 20.5156 46.3972 -235.972 -210.447 20.5166 -210.447 -40.8698 GPRESSURE: 4294600 112.055 41.1228 21.5983 148.01 -204.939 -180.643 57.6385 -155.565 18.4221 PRESSAVG: 4294600 53.8039 -16.8499 -31.7802 -16.8498 -7.03493 -51.3433 -31.7803 -51.3434 -47.4665 GPRESSAVG: 4294600 53.5 -17.8146 -32.4632 -14.9706 -7.58017 -49.9519 -29.6797 -51.6522 -47.0121 TIMING: 4294600 CPU: 12759.4, 0.00295104/step Wall: 12759.4, 0.00295104/step, 0.578241 hours remaining, 207.515625 MB of memory in use. ENERGY: 4294600 694.7554 2067.8752 1917.5340 115.4560 -206201.1125 17712.4148 0.0000 0.0000 34074.1084 -149618.9688 297.5777 -183693.0771 -149517.6202 298.5842 -55.2503 -24.8208 556059.1435 -0.2325 -0.3641 PRESSURE: 4294800 -20.1735 100.222 135.981 100.222 168.733 20.9065 135.98 20.9081 20.1191 GPRESSURE: 4294800 14.9563 104.314 72.2049 -1.57927 202.493 -7.73758 138.797 -31.2171 61.306 PRESSAVG: 4294800 28.683 41.847 28.9712 41.847 -15.369 -42.486 28.9713 -42.4861 -7.85104 GPRESSAVG: 4294800 29.624 43.4273 29.5223 38.4517 -15.5485 -45.7978 28.0065 -39.6927 -8.00858 TIMING: 4294800 CPU: 12760, 0.00296416/step Wall: 12760, 0.00296416/step, 0.580647 hours remaining, 207.515625 MB of memory in use. ENERGY: 4294800 748.6375 2056.6496 1933.4818 117.8483 -206203.5452 17712.4256 0.0000 0.0000 34187.9177 -149446.5847 298.5716 -183634.5024 -149350.4549 298.3433 56.2261 92.9184 555359.1998 1.8210 2.0223 PRESSURE: 4295000 225.349 -110.277 77.5469 -110.275 18.4435 200.553 77.5452 200.553 54.5006 GPRESSURE: 4295000 215.118 -20.5786 -21.9362 -156.366 91.8038 214.179 109.71 211.564 79.369 PRESSAVG: 4295000 -25.1067 13.9109 3.51092 13.9108 69.3079 32.1612 3.51087 32.161 -61.4291 GPRESSAVG: 4295000 -26.0758 12.6137 1.55985 15.4972 70.1763 35.0511 3.62788 28.6456 -60.9471 TIMING: 4295000 CPU: 12760.6, 0.00295595/step Wall: 12760.6, 0.00295595/step, 0.578874 hours remaining, 207.515625 MB of memory in use. ENERGY: 4295000 746.3242 2054.9827 1934.0811 120.4429 -206452.6421 17975.4411 0.0000 0.0000 34297.8565 -149323.5136 299.5317 -183621.3701 -149223.4102 298.7338 99.4311 128.7635 555936.4624 -5.7426 -5.6155 PRESSURE: 4295200 -185.116 -83.6358 48.8908 -83.6357 -148.115 -40.7616 48.8929 -40.7605 -48.4549 GPRESSURE: 4295200 -153.759 -14.484 117.859 -121.567 -67.7142 -53.6835 14.6978 -76.8956 -59.0807 PRESSAVG: 4295200 -10.6141 -20.9525 -2.71462 -20.9525 -27.1634 47.0404 -2.71455 47.0404 11.5762 GPRESSAVG: 4295200 -9.69871 -19.4459 -1.75653 -21.6308 -27.6652 46.6013 -2.28552 47.4658 11.414 TIMING: 4295200 CPU: 12761.2, 0.00290136/step Wall: 12761.2, 0.00290136/step, 0.568022 hours remaining, 207.515625 MB of memory in use. ENERGY: 4295200 741.7643 2080.3733 1944.2007 95.6578 -206122.3634 17662.8643 0.0000 0.0000 34162.8092 -149434.6938 298.3523 -183597.5031 -149340.4817 298.3183 -127.2288 -93.5180 557930.4588 -8.7338 -8.6500 PRESSURE: 4295400 66.201 -6.31185 78.9542 -6.31247 55.5077 -30.8673 78.9555 -30.865 117.563 GPRESSURE: 4295400 112.504 -45.7658 129.83 -10.3456 92.8302 -101.766 85.2156 -30.1316 120.922 PRESSAVG: 4295400 -39.7646 -2.65954 -31.4464 -2.6596 15.1703 -6.41202 -31.4463 -6.41206 47.1223 GPRESSAVG: 4295400 -39.8138 -2.15266 -32.1231 -3.37413 14.9951 -5.75887 -30.8665 -6.65648 46.6619 TIMING: 4295400 CPU: 12761.8, 0.00290809/step Wall: 12761.8, 0.00290809/step, 0.569177 hours remaining, 207.515625 MB of memory in use. ENERGY: 4295400 708.7031 2058.9242 1973.6561 110.6705 -206576.1043 18008.0875 0.0000 0.0000 34349.2670 -149366.7960 299.9807 -183716.0630 -149269.6059 298.6604 79.7572 108.7521 554538.2293 7.5093 7.2811 PRESSURE: 4295600 354.884 -23.4404 27.1144 -23.4405 48.0241 -68.5609 27.115 -68.5624 7.18524 GPRESSURE: 4295600 349.553 -15.2416 53.1161 -10.6775 114.576 -36.5021 85.8423 -85.9319 30.1175 PRESSAVG: 4295600 54.5093 14.5127 81.4405 14.5128 3.13996 -45.5043 81.4404 -45.5044 -3.99001 GPRESSAVG: 4295600 54.1711 12.2632 82.1281 15.7631 3.1196 -45.7114 81.4359 -44.9587 -3.5038 TIMING: 4295600 CPU: 12762.4, 0.00293775/step Wall: 12762.4, 0.00293775/step, 0.574819 hours remaining, 207.515625 MB of memory in use. ENERGY: 4295600 738.3996 2103.6786 1920.4005 109.2332 -206189.9179 17751.9240 0.0000 0.0000 34348.6531 -149217.6289 299.9753 -183566.2821 -149113.4902 299.4028 136.6978 164.7490 554429.7007 17.8864 17.9290 PRESSURE: 4295800 -205.611 135.184 23.3493 135.184 40.4442 33.1826 23.3494 33.1825 -7.61052 GPRESSURE: 4295800 -121.566 107.199 -31.3223 117.3 31.2382 38.5728 15.078 -1.85727 12.1292 PRESSAVG: 4295800 -10.989 -15.2645 28.4373 -15.2647 5.19165 20.688 28.4373 20.6879 12.334 GPRESSAVG: 4295800 -10.8118 -13.5956 28.1617 -15.4043 5.33143 19.9186 29.1788 19.711 12.0988 TIMING: 4295800 CPU: 12763, 0.00293664/step Wall: 12763, 0.00293664/step, 0.57444 hours remaining, 207.515625 MB of memory in use. ENERGY: 4295800 765.0763 2063.7582 1923.8777 109.4292 -205996.1012 17716.6217 0.0000 0.0000 34176.9875 -149240.3505 298.4761 -183417.3380 -149143.6423 299.3918 -57.5926 -26.0661 555782.3475 2.1789 2.2062 PRESSURE: 4296000 173.456 11.4774 -11.3485 11.4769 42.8198 0.124751 -11.3492 0.12571 46.1641 GPRESSURE: 4296000 198.213 26.8774 6.53342 -6.398 47.8973 18.7771 -27.6171 -55.7144 112.404 PRESSAVG: 4296000 -1.87446 10.7759 -0.48353 10.7758 48.1299 41.3505 -0.483544 41.3506 -34.1836 GPRESSAVG: 4296000 -1.57029 8.87108 -0.568695 12.2739 47.5254 40.815 -0.468921 42.6214 -34.4813 TIMING: 4296000 CPU: 12763.5, 0.002907/step Wall: 12763.5, 0.00290701/step, 0.568481 hours remaining, 207.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4296000 750.3796 2040.6980 1933.9699 115.0685 -206163.1272 17912.1295 0.0000 0.0000 34072.4907 -149338.3911 297.5635 -183410.8818 -149244.7481 298.6153 87.4798 119.5050 556260.7441 4.0239 3.8246 PRESSURE: 4296200 74.004 -158.885 108.635 -158.885 -13.7416 106.033 108.634 106.034 -33.882 GPRESSURE: 4296200 86.4361 -133.756 128.424 -179.392 49.8111 85.3565 157.766 71.7736 -6.62682 PRESSAVG: 4296200 -32.9037 -58.4736 8.50626 -58.4735 -12.7416 3.88477 8.50629 3.88478 53.797 GPRESSAVG: 4296200 -32.4894 -58.9447 7.35871 -58.7968 -12.5081 5.95544 9.52519 2.5648 53.9167 TIMING: 4296200 CPU: 12764.1, 0.00291448/step Wall: 12764.1, 0.00291448/step, 0.569782 hours remaining, 207.515625 MB of memory in use. ENERGY: 4296200 737.3484 2088.7619 1907.9235 118.0798 -206214.7197 17856.3986 0.0000 0.0000 34294.5997 -149211.6080 299.5033 -183506.2076 -149115.8134 298.8925 8.7935 43.2068 558555.9317 2.7173 2.9731 LDB: ============= START OF LOAD BALANCING ============== 12767.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12767.7 LDB: =============== DONE WITH MIGRATION ================ 12767.7 LDB: ============= START OF LOAD BALANCING ============== 12768 LDB: Largest compute 4802 load 0.022387 is 18.9% of average load 0.118230 LDB: Average compute 0.001730 is 1.5% of average load 0.118230 LDB: TIME 12768 LOAD: AVG 0.11823 MAX 0.195053 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.539 MB LDB: TIME 12768 LOAD: AVG 0.11823 MAX 0.195053 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.742 MB LDB: TIME 12768 LOAD: AVG 0.11823 MAX 0.195053 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.742 MB LDB: ============== END OF LOAD BALANCING =============== 12768 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12768 PRESSURE: 4296400 -175.115 19.8375 52.8625 19.8376 -209.006 61.4813 52.8626 61.4809 -58.809 GPRESSURE: 4296400 -166.863 32.7591 32.4569 36.9976 -159.655 -1.05423 23.2812 61.2674 -15.063 PRESSAVG: 4296400 -12.8426 -15.671 33.2704 -15.671 -20.912 -19.4168 33.2704 -19.4168 46.0407 GPRESSAVG: 4296400 -12.8963 -13.7362 34.9864 -15.0409 -21.1205 -20.2288 30.5051 -21.1735 47.2429 TIMING: 4296400 CPU: 12764.7, 0.00299114/step Wall: 12764.7, 0.00299114/step, 0.584602 hours remaining, 208.500000 MB of memory in use. ENERGY: 4296400 763.2101 2086.4500 1946.9890 104.9824 -205976.4358 17627.7477 0.0000 0.0000 34354.9351 -149092.1215 300.0302 -183447.0565 -148992.8669 299.6481 -147.6433 -113.8602 559266.7175 4.0954 4.4087 PRESSURE: 4296600 263.005 160.322 38.6569 160.321 -160.514 78.9156 38.6584 78.9165 -96.0564 GPRESSURE: 4296600 254.285 128.577 49.647 238.236 -55.2376 75.1949 34.675 115.733 -87.2375 PRESSAVG: 4296600 -42.8498 29.9381 57.1252 29.9382 15.9061 1.82765 57.1252 1.82764 62.979 GPRESSAVG: 4296600 -42.622 28.8272 57.3783 29.0631 16.7548 1.89618 58.5277 4.67462 61.7128 TIMING: 4296600 CPU: 12765.3, 0.00295536/step Wall: 12765.3, 0.00295536/step, 0.577445 hours remaining, 208.703125 MB of memory in use. ENERGY: 4296600 758.3517 2075.2958 1925.9351 121.1000 -206418.4342 18068.9265 0.0000 0.0000 34402.4790 -149066.3460 300.4454 -183468.8250 -148969.8937 299.3783 2.1450 37.2700 559730.9327 12.0118 11.9485 PRESSURE: 4296800 -166.493 -40.4694 -46.3583 -40.47 -260.635 1.77974 -46.3584 1.78044 -11.6647 GPRESSURE: 4296800 -212.884 -19.7287 -34.2799 -25.0664 -200.122 -24.3378 -59.1241 24.9185 65.7395 PRESSAVG: 4296800 -26.3882 5.0522 -14.4772 5.05219 28.1675 -4.32163 -14.4772 -4.32163 -8.73044 GPRESSAVG: 4296800 -26.1197 4.83992 -14.1841 6.25776 27.4098 -5.27413 -14.8253 -5.39369 -7.61375 TIMING: 4296800 CPU: 12765.9, 0.00293845/step Wall: 12765.9, 0.00293845/step, 0.573978 hours remaining, 208.703125 MB of memory in use. ENERGY: 4296800 760.6061 2082.9696 1953.2084 116.8133 -205993.3897 17800.5928 0.0000 0.0000 34226.8996 -149052.2998 298.9120 -183279.1993 -148963.3995 299.5068 -146.2642 -115.7556 559195.1504 -2.3170 -2.1079 PRESSURE: 4297000 4.47118 -42.5574 -10.1238 -42.5569 -178.435 -98.2186 -10.1235 -98.2183 -151.912 GPRESSURE: 4297000 -12.0141 18.1763 40.9777 -19.0306 -82.9619 -102.965 -93.703 -111.958 -130.163 PRESSAVG: 4297000 -20.6908 39.2119 -38.1614 39.2119 22.1658 -58.8001 -38.1616 -58.8001 5.30868 GPRESSAVG: 4297000 -21.3667 38.6937 -38.1369 39.5199 22.4184 -57.8208 -37.2251 -58.8481 4.98511 TIMING: 4297000 CPU: 12766.5, 0.0029307/step Wall: 12766.5, 0.0029307/step, 0.5723 hours remaining, 208.703125 MB of memory in use. ENERGY: 4297000 756.4875 2096.8608 1965.2807 114.3325 -206195.9192 17921.7576 0.0000 0.0000 34302.4040 -149038.7962 299.5714 -183341.2001 -148941.8151 299.7254 -108.6250 -75.0464 559955.7182 2.2612 2.0123 PRESSURE: 4297200 -85.2447 -26.3682 121.815 -26.3681 -424.911 15.6649 121.814 15.664 69.5016 GPRESSURE: 4297200 -68.2216 -10.0573 161.573 -6.31066 -346.113 53.2679 56.735 -1.46243 64.5174 PRESSAVG: 4297200 7.63753 38.7332 -28.2313 38.7333 10.5859 6.54335 -28.2314 6.54327 19.5931 GPRESSAVG: 4297200 7.3281 39.9229 -28.1008 38.1403 10.9311 6.25237 -28.8915 5.5989 18.7696 TIMING: 4297200 CPU: 12767.1, 0.00292899/step Wall: 12767.1, 0.00292899/step, 0.571804 hours remaining, 208.703125 MB of memory in use. ENERGY: 4297200 738.6774 2139.6720 1950.6357 111.6174 -206053.0190 17689.7990 0.0000 0.0000 34353.8468 -149068.7708 300.0207 -183422.6176 -148971.6064 299.6419 -146.8847 -116.6056 558498.4419 12.6055 12.3429 PRESSURE: 4297400 36.4457 155.329 43.8253 155.328 -178.184 67.1267 43.8265 67.1252 35.0024 GPRESSURE: 4297400 45.2384 149.634 55.3534 172.091 -116.871 52.2655 80.0506 40.7362 49.4549 PRESSAVG: 4297400 -19.5591 28.7953 22.4561 28.7953 -38.4977 31.9779 22.456 31.9779 63.8003 GPRESSAVG: 4297400 -18.4834 27.8987 22.9912 28.5875 -39.6627 32.1011 20.312 33.1195 64.4234 TIMING: 4297400 CPU: 12767.7, 0.00289808/step Wall: 12767.7, 0.00289808/step, 0.565609 hours remaining, 208.703125 MB of memory in use. ENERGY: 4297400 756.1599 2150.8657 1960.3043 106.7644 -206299.3874 17851.2319 0.0000 0.0000 34438.8091 -149035.2520 300.7627 -183474.0611 -148937.1052 299.8757 -35.5785 -7.3926 556804.5683 1.9145 2.0924 PRESSURE: 4297600 110.867 100.204 -241.4 100.205 5.92005 83.5333 -241.401 83.5337 -70.2046 GPRESSURE: 4297600 86.3355 131.246 -191.447 152.862 49.486 48.5446 -200.008 72.9733 -1.02988 PRESSAVG: 4297600 57.342 -9.47502 -56.7948 -9.47503 -24.242 41.0462 -56.7949 41.0461 -21.672 GPRESSAVG: 4297600 56.8401 -8.92829 -57.7155 -10.6407 -24.1545 40.3679 -54.1793 40.1079 -21.2814 TIMING: 4297600 CPU: 12768.2, 0.00293271/step Wall: 12768.2, 0.00293271/step, 0.572203 hours remaining, 208.703125 MB of memory in use. ENERGY: 4297600 754.9947 2092.5181 1946.1259 119.9918 -206065.0896 17814.4496 0.0000 0.0000 34296.2327 -149040.7769 299.5175 -183337.0096 -148945.6467 299.4348 15.5274 44.9305 557968.1844 3.8093 3.8014 PRESSURE: 4297800 117.339 -23.6192 -31.8564 -23.6189 57.2735 9.20054 -31.8554 9.20039 37.0825 GPRESSURE: 4297800 117.523 -32.3705 12.1323 -22.4181 93.6416 -31.6877 -75.1924 70.0204 92.2773 PRESSAVG: 4297800 -19.343 -6.58703 -68.322 -6.58718 18.5551 20.9992 -68.322 20.9991 -40.4491 GPRESSAVG: 4297800 -19.7478 -4.35784 -67.8808 -6.26653 19.0253 22.194 -68.1627 21.4468 -40.296 TIMING: 4297800 CPU: 12768.8, 0.00297003/step Wall: 12768.8, 0.00297003/step, 0.579322 hours remaining, 208.703125 MB of memory in use. ENERGY: 4297800 756.1221 2142.3382 1938.5626 109.5012 -206215.4571 17896.6232 0.0000 0.0000 34251.0660 -149121.2438 299.1231 -183372.3098 -149024.1368 299.9882 70.5650 101.1474 557625.1731 -13.7457 -13.6728 PRESSURE: 4298000 -90.0409 41.8591 27.2828 41.8582 -43.6242 -146.904 27.2825 -146.906 126.026 GPRESSURE: 4298000 -79.5513 -20.1763 -26.5221 74.9956 -41.6676 -57.8383 96.3848 -171.335 200.249 PRESSAVG: 4298000 37.1936 -30.8896 -49.4035 -30.8896 -56.5064 40.203 -49.4034 40.203 19.8636 GPRESSAVG: 4298000 36.5034 -33.2166 -49.8975 -31.8026 -56.9218 39.4493 -49.4089 41.2278 20.8239 TIMING: 4298000 CPU: 12769.4, 0.00296063/step Wall: 12769.4, 0.00296063/step, 0.577322 hours remaining, 208.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4298000 761.7779 2062.9957 1925.3430 110.8784 -206195.4412 17754.0417 0.0000 0.0000 34421.7048 -149158.6996 300.6133 -183580.4044 -149062.0636 299.5132 -2.5464 26.3432 555923.7891 0.1836 0.1352 PRESSURE: 4298200 24.6737 -178.674 14.7506 -178.674 -70.6546 -97.1333 14.7504 -97.1331 -88.6688 GPRESSURE: 4298200 70.9861 -84.1505 -48.6493 -145.896 -44.8138 -191.803 104.714 -9.20308 -56.8817 PRESSAVG: 4298200 37.6854 -37.2799 -18.0424 -37.28 -2.25147 -12.0864 -18.0425 -12.0864 -17.594 GPRESSAVG: 4298200 37.7094 -35.7617 -18.164 -38.6455 -2.14921 -12.2315 -18.6488 -11.7964 -18.2174 TIMING: 4298200 CPU: 12770, 0.00297619/step Wall: 12770, 0.00297619/step, 0.580192 hours remaining, 208.703125 MB of memory in use. ENERGY: 4298200 753.6038 2103.6927 1921.0278 112.9900 -206221.2392 17762.8475 0.0000 0.0000 34330.4393 -149236.6382 299.8163 -183567.0775 -149140.0410 300.1351 -44.8832 -10.2365 556297.2249 5.9466 5.7809 PRESSURE: 4298400 -210.957 9.66351 -41.8296 9.66404 -171.423 136.697 -41.8304 136.695 -197.977 GPRESSURE: 4298400 -116.551 2.29038 -38.7588 41.4125 -216.279 136.127 44.5859 152.52 -140.839 PRESSAVG: 4298400 40.485 -15.53 18.4483 -15.53 -79.8962 -39.5501 18.4484 -39.5501 13.5143 GPRESSAVG: 4298400 42.1997 -17.6143 19.3945 -11.6422 -80.6794 -39.3976 19.9855 -41.7208 13.0641 TIMING: 4298400 CPU: 12770.6, 0.00296186/step Wall: 12770.6, 0.00296186/step, 0.577233 hours remaining, 208.703125 MB of memory in use. ENERGY: 4298400 767.5782 2082.6635 1918.6245 105.9212 -206083.3747 17616.0592 0.0000 0.0000 34383.8074 -149208.7206 300.2823 -183592.5280 -149118.5695 299.6708 -193.4524 -157.8896 558182.7167 -8.6323 -8.4719 PRESSURE: 4298600 -168.674 63.6787 4.73597 63.6796 -111.515 13.7959 4.73669 13.7964 -7.89663 GPRESSURE: 4298600 -183.21 86.0412 46.569 110.179 -33.0194 41.6315 20.1674 -3.93588 33.0567 PRESSAVG: 4298600 -19.8897 -8.09219 9.29359 -8.09217 -8.53492 -18.0383 9.29361 -18.0384 23.3364 GPRESSAVG: 4298600 -21.2689 -7.50318 9.15729 -8.71467 -7.37926 -18.0255 8.7314 -17.1139 23.0591 TIMING: 4298600 CPU: 12771.2, 0.0029443/step Wall: 12771.2, 0.0029443/step, 0.573648 hours remaining, 208.703125 MB of memory in use. ENERGY: 4298600 720.4643 2070.5985 1960.1965 104.8074 -206253.4566 17579.6436 0.0000 0.0000 34402.9074 -149414.8389 300.4491 -183817.7463 -149314.2957 299.4980 -96.0287 -61.0575 556819.8407 -1.6961 -1.8630 PRESSURE: 4298800 53.8869 -220.916 7.7225 -220.916 -115.476 -76.3171 7.72267 -76.3172 -213.098 GPRESSURE: 4298800 106.933 -111.856 -5.11147 -270.741 -40.8019 -98.7359 -65.7745 -52.619 -244.415 PRESSAVG: 4298800 24.7528 2.20165 40.2698 2.20167 -8.17783 28.6126 40.2699 28.6126 -15.2122 GPRESSAVG: 4298800 24.9773 2.84633 40.4605 1.09879 -7.61108 28.8527 39.4907 29.1933 -16.2329 TIMING: 4298800 CPU: 12771.8, 0.00295151/step Wall: 12771.8, 0.00295151/step, 0.574889 hours remaining, 208.703125 MB of memory in use. ENERGY: 4298800 766.3495 2049.3379 1960.6038 119.3951 -206282.1986 17806.6706 0.0000 0.0000 34187.2922 -149392.5495 298.5661 -183579.8417 -149294.0420 298.9384 -91.5625 -59.4279 558413.0498 0.4543 0.3778 PRESSURE: 4299000 156.457 129.773 -21.9542 129.772 -128.301 90.9129 -21.955 90.9106 31.1862 GPRESSURE: 4299000 157.804 199.83 -43.5528 155.899 -54.4844 96.4067 6.38896 33.5651 49.4601 PRESSAVG: 4299000 42.4422 -0.662682 -7.42808 -0.662675 -39.1153 -42.3558 -7.42807 -42.3558 -28.084 GPRESSAVG: 4299000 42.2882 -1.49686 -6.88414 -1.95628 -38.7742 -41.2723 -6.77226 -43.4268 -28.43 TIMING: 4299000 CPU: 12772.4, 0.00293079/step Wall: 12772.4, 0.00293079/step, 0.570689 hours remaining, 208.703125 MB of memory in use. ENERGY: 4299000 763.6957 2070.8502 1919.2224 115.7992 -206246.6873 17897.9147 0.0000 0.0000 34125.9600 -149353.2451 298.0305 -183479.2051 -149255.1837 298.5347 19.7807 50.9264 557694.4966 -8.2524 -8.3053 PRESSURE: 4299200 148.22 80.3875 -29.5973 80.3863 134.954 -127.201 -29.5969 -127.202 284.591 GPRESSURE: 4299200 163.739 196.316 -157.872 77.3721 161.73 -47.0645 43.1167 -169.242 326.667 PRESSAVG: 4299200 50.0695 14.7581 -47.8555 14.7582 -50.0564 45.7678 -47.8556 45.7678 44.3075 GPRESSAVG: 4299200 50.3651 15.5733 -45.441 15.4757 -50.1681 45.2487 -48.9396 46.4024 44.5979 TIMING: 4299200 CPU: 12773, 0.00291666/step Wall: 12773, 0.00291666/step, 0.567777 hours remaining, 208.703125 MB of memory in use. ENERGY: 4299200 720.9609 2117.6727 1940.9185 103.2034 -206843.2167 18170.7587 0.0000 0.0000 34443.2671 -149346.4354 300.8016 -183789.7025 -149247.7113 298.8511 189.2551 217.3786 555691.6555 14.7735 14.9316 PRESSURE: 4299400 178.016 -64.3728 9.86961 -64.372 13.3687 7.31461 9.86993 7.31295 -30.6357 GPRESSURE: 4299400 236.104 -153.972 59.3988 -27.4688 23.9798 -59.8557 -7.9844 -11.6492 -3.36772 PRESSAVG: 4299400 -3.97285 -44.0927 -32.4203 -44.0928 -30.7557 -36.9794 -32.4203 -36.9794 50.2806 GPRESSAVG: 4299400 -2.16531 -44.6621 -35.1706 -44.3645 -32.263 -37.5618 -29.1224 -37.0058 50.4792 TIMING: 4299400 CPU: 12773.5, 0.00291107/step Wall: 12773.5, 0.00291107/step, 0.566527 hours remaining, 208.703125 MB of memory in use. ENERGY: 4299400 786.5168 2146.7234 1940.4096 114.4683 -206482.0050 17904.0665 0.0000 0.0000 34261.1592 -149328.6612 299.2112 -183589.8204 -149241.1671 298.9365 53.5830 85.5719 556927.9067 5.1840 5.3503 PRESSURE: 4299600 167.776 121.835 -69.7918 121.835 -197.997 -8.87479 -69.7914 -8.87375 -156.878 GPRESSURE: 4299600 157.475 76.6196 -61.3953 99.9021 -134.575 12.9466 -115.173 34.0815 -124.447 PRESSAVG: 4299600 27.6599 10.8186 -31.1595 10.8186 -23.7834 -13.3655 -31.1596 -13.3655 -14.883 GPRESSAVG: 4299600 25.935 10.8961 -30.9949 12.0815 -23.3991 -13.4558 -32.6988 -12.0597 -13.6122 TIMING: 4299600 CPU: 12774.1, 0.00295729/step Wall: 12774.1, 0.00295729/step, 0.575358 hours remaining, 208.703125 MB of memory in use. ENERGY: 4299600 742.3539 2069.1066 1954.0792 121.4380 -205919.4591 17478.2694 0.0000 0.0000 34343.8441 -149210.3679 299.9333 -183554.2120 -149115.6733 299.9759 -62.3665 -33.8490 556089.6325 -3.6688 -3.6921 PRESSURE: 4299800 -122.87 73.3948 -218.976 73.395 186.605 59.7604 -218.977 59.7607 102.491 GPRESSURE: 4299800 -92.3608 77.213 -212.035 54.5747 234.084 8.15942 -238.231 -13.2129 130.204 PRESSAVG: 4299800 19.9735 7.46939 -38.3762 7.4694 -48.2042 1.6414 -38.3762 1.64133 10.7927 GPRESSAVG: 4299800 20.8717 8.19412 -38.4619 7.50722 -47.965 3.22787 -38.3244 -0.724171 9.56693 TIMING: 4299800 CPU: 12774.7, 0.00294037/step Wall: 12774.7, 0.00294037/step, 0.571902 hours remaining, 208.703125 MB of memory in use. ENERGY: 4299800 735.1101 2097.5440 1942.5003 106.6074 -206234.5129 17833.7575 0.0000 0.0000 34360.3461 -149158.6475 300.0774 -183518.9936 -149065.8169 300.2729 55.4086 90.6425 556276.7182 -5.8127 -5.8421 PRESSURE: 4300000 -56.2894 25.9664 -21.8125 25.9658 -125.791 47.6064 -21.8118 47.6071 -25.2566 GPRESSURE: 4300000 -56.4882 44.2364 -25.97 3.19327 -111.343 54.8549 -59.8781 63.6857 50.285 PRESSAVG: 4300000 44.5687 -14.3678 -48.6984 -14.3678 -16.937 13.0763 -48.6985 13.0762 32.5416 GPRESSAVG: 4300000 44.9792 -15.0943 -46.3969 -14.2488 -16.7024 12.6099 -52.7485 11.5927 31.8371 TIMING: 4300000 CPU: 12775.3, 0.00292366/step Wall: 12775.3, 0.00292366/step, 0.56849 hours remaining, 208.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4300000 766.9112 2061.3978 1917.8175 118.6608 -206170.0090 17619.1861 0.0000 0.0000 34495.8393 -149190.1963 301.2607 -183686.0356 -149091.0870 299.5813 -69.1125 -39.1821 557794.7732 20.0578 20.0380 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4300000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 4300000 WRITING COORDINATES TO RESTART FILE AT STEP 4300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4300200 128.62 -71.4546 77.0737 -71.4546 -6.74115 138.085 77.0738 138.084 81.3639 GPRESSURE: 4300200 234.515 -50.5572 177.094 -92.9779 -44.1747 113.528 2.78978 57.2656 111.452 PRESSAVG: 4300200 -2.73847 16.7178 -17.9188 16.7179 -31.5164 -2.49911 -17.9187 -2.49913 64.5192 GPRESSAVG: 4300200 -3.43751 18.2902 -17.5081 14.0895 -31.2531 -2.16222 -15.1633 -0.941225 65.4237 TIMING: 4300200 CPU: 12775.9, 0.00302706/step Wall: 12775.9, 0.00302706/step, 0.588427 hours remaining, 208.828125 MB of memory in use. ENERGY: 4300200 777.8807 2116.3617 1920.6941 107.9327 -206308.3056 17930.6131 0.0000 0.0000 34189.9935 -149264.8299 298.5897 -183454.8233 -149173.2063 299.1063 67.7477 100.5976 557584.4573 10.0881 10.2444 LDB: ============= START OF LOAD BALANCING ============== 12779.5 LDB: ============== END OF LOAD BALANCING =============== 12779.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12779.5 LDB: ============= START OF LOAD BALANCING ============== 12779.8 LDB: Largest compute 4801 load 0.022546 is 19.1% of average load 0.118272 LDB: Average compute 0.001732 is 1.5% of average load 0.118272 LDB: TIME 12779.8 LOAD: AVG 0.118272 MAX 0.197325 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.422 MB LDB: TIME 12779.8 LOAD: AVG 0.118272 MAX 0.197325 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.492 MB LDB: TIME 12779.8 LOAD: AVG 0.118272 MAX 0.197325 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.492 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12779.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12779.8 PRESSURE: 4300400 -214.534 -90.4568 107.568 -90.4574 -167.657 -137.535 107.567 -137.533 -310.044 GPRESSURE: 4300400 -116.134 -136.571 55.1722 -84.1953 -169.817 -146.08 68.445 -156.179 -317.818 PRESSAVG: 4300400 -10.8806 -49.5983 65.6602 -49.5983 -0.825158 -21.9596 65.6602 -21.9596 18.8808 GPRESSAVG: 4300400 -10.8736 -49.5693 63.6005 -46.3405 -2.29505 -22.057 65.6728 -22.0277 20.1531 TIMING: 4300400 CPU: 12776.5, 0.00300834/step Wall: 12776.5, 0.00300834/step, 0.584621 hours remaining, 207.468750 MB of memory in use. ENERGY: 4300400 771.3310 2078.5418 1940.4406 111.2325 -206030.7253 17512.4273 0.0000 0.0000 34488.5285 -149128.2236 301.1969 -183616.7522 -149029.4844 299.4337 -230.7453 -201.2564 556514.4135 2.3917 2.3282 PRESSURE: 4300600 9.41701 -9.03332 156.103 -9.03387 -95.1416 59.8113 156.105 59.8103 15.2789 GPRESSURE: 4300600 54.4642 -31.7792 200.38 -33.1223 -76.0218 124.337 118.752 -70.0613 49.0664 PRESSAVG: 4300600 31.2222 -2.13551 37.1371 -2.1356 40.2233 24.2014 37.1371 24.2013 3.20781 GPRESSAVG: 4300600 30.5809 -3.15629 36.0441 -4.02866 41.5457 23.3794 39.2713 23.3908 2.45232 TIMING: 4300600 CPU: 12777.1, 0.00297976/step Wall: 12777.1, 0.00297976/step, 0.578901 hours remaining, 207.468750 MB of memory in use. ENERGY: 4300600 782.6794 2120.8884 1951.1451 113.0313 -206029.5126 17721.3887 0.0000 0.0000 34229.0628 -149111.3168 298.9309 -183340.3796 -149017.7088 299.9017 -23.4819 9.1696 556960.4971 24.8844 24.8597 PRESSURE: 4300800 -256.742 95.2931 23.5468 95.2943 -126.018 -102.255 23.5466 -102.256 -114.067 GPRESSURE: 4300800 -247.451 67.6453 8.07484 72.8115 -69.0699 -21.381 6.74222 -34.3682 -84.7215 PRESSAVG: 4300800 6.84271 -29.119 -1.40364 -29.119 -36.6735 -25.2299 -1.40365 -25.23 11.5459 GPRESSAVG: 4300800 6.91151 -30.3062 -0.96771 -28.2082 -36.457 -25.8161 -3.28669 -22.3961 11.3649 TIMING: 4300800 CPU: 12777.7, 0.00295918/step Wall: 12777.7, 0.00295918/step, 0.574739 hours remaining, 207.468750 MB of memory in use. ENERGY: 4300800 793.9710 2092.8528 1957.6926 115.3545 -206008.7665 17526.1775 0.0000 0.0000 34498.1140 -149024.6040 301.2806 -183522.7180 -148923.6562 300.1527 -165.6088 -133.7473 554926.1605 -6.0949 -6.0602 PRESSURE: 4301000 117.683 -133.61 -17.2312 -133.61 -2.67799 -40.2781 -17.231 -40.2786 216.232 GPRESSURE: 4301000 124.234 -76.8158 -82.9666 -92.6804 40.5959 15.3724 58.0889 -58.8029 251.915 PRESSAVG: 4301000 27.2003 23.7843 -30.7044 23.7843 -68.4442 29.8341 -30.7044 29.834 61.4229 GPRESSAVG: 4301000 28.0714 25.0251 -29.244 24.092 -69.1156 29.6142 -32.4803 29.5122 60.4643 TIMING: 4301000 CPU: 12778.3, 0.00293875/step Wall: 12778.3, 0.00293875/step, 0.570607 hours remaining, 207.468750 MB of memory in use. ENERGY: 4301000 744.4269 2115.5555 1929.2793 121.8236 -206398.7455 18085.3349 0.0000 0.0000 34477.5318 -148924.7935 301.1009 -183402.3253 -148825.5557 300.2415 110.4125 138.9148 556590.3825 6.7264 6.4734 PRESSURE: 4301200 11.305 15.0673 -53.7101 15.0674 -79.6675 167.237 -53.7106 167.238 174.808 GPRESSURE: 4301200 17.1197 61.1128 -112.651 10.3945 -30.0164 140.504 0.0151877 157.726 214.677 PRESSAVG: 4301200 21.0936 -54.2952 -6.30961 -54.2952 -60.492 -45.6625 -6.30966 -45.6626 20.5892 GPRESSAVG: 4301200 20.5698 -54.5339 -7.79949 -54.9534 -61.8734 -44.9536 -5.30882 -47.1528 22.4009 TIMING: 4301200 CPU: 12778.9, 0.00294642/step Wall: 12778.9, 0.00294642/step, 0.571933 hours remaining, 207.468750 MB of memory in use. ENERGY: 4301200 739.1498 2120.7384 1964.4202 108.7922 -206200.5889 17889.1610 0.0000 0.0000 34320.5566 -149057.7707 299.7300 -183378.3273 -148963.9027 299.8884 35.4820 67.2600 558449.8352 -6.2697 -6.3009 PRESSURE: 4301400 -114.435 -1.21597 -45.7385 -1.21615 28.5974 46.9504 -45.7381 46.9498 -43.0285 GPRESSURE: 4301400 -53.6314 7.52757 -4.23498 -69.8454 93.415 -26.1631 -21.9639 22.9461 -67.9976 PRESSAVG: 4301400 -82.4943 -37.6505 -50.1034 -37.6505 -10.571 -4.12216 -50.1035 -4.12227 62.8186 GPRESSAVG: 4301400 -84.0578 -39.2732 -50.3983 -35.9629 -8.74212 -5.09932 -48.1848 -3.36491 62.6453 TIMING: 4301400 CPU: 12779.5, 0.00292833/step Wall: 12779.5, 0.00292833/step, 0.56826 hours remaining, 207.468750 MB of memory in use. ENERGY: 4301400 767.2017 2115.8486 1925.8935 115.0304 -206121.6349 17880.3697 0.0000 0.0000 34134.9229 -149182.3681 298.1088 -183317.2910 -149081.2895 299.6211 -42.9554 -9.4046 557160.7653 -10.0822 -10.0515 PRESSURE: 4301600 11.2484 -36.1697 33.4775 -36.1684 -38.112 39.2304 33.4779 39.2302 229.013 GPRESSURE: 4301600 75.7425 -88.3649 -77.3664 -90.4264 -56.9863 -7.14928 145.745 139.555 275.658 PRESSAVG: 4301600 4.02562 27.719 -23.6562 27.719 18.4467 48.7563 -23.6564 48.7563 16.6181 GPRESSAVG: 4301600 4.79801 28.4804 -24.0302 25.4951 17.5805 48.3367 -22.7534 49.0652 15.9776 TIMING: 4301600 CPU: 12780.1, 0.00294591/step Wall: 12780.1, 0.00294591/step, 0.571506 hours remaining, 207.468750 MB of memory in use. ENERGY: 4301600 747.0084 2075.6067 1918.6231 103.0122 -206061.7220 17744.9205 0.0000 0.0000 34021.1279 -149451.4232 297.1150 -183472.5512 -149356.6765 299.0690 67.3831 98.1380 557072.7668 13.0301 12.7854 PRESSURE: 4301800 -252.094 96.2397 71.1927 96.2394 -178.894 148.862 71.193 148.863 -168.144 GPRESSURE: 4301800 -227.083 50.2236 -9.35369 54.8953 -138.169 268.106 79.0624 176.972 -142.883 PRESSAVG: 4301800 -33.4698 -23.5597 0.100274 -23.5597 4.10619 49.0613 0.100162 49.0613 1.85476 GPRESSAVG: 4301800 -33.949 -24.3374 0.935244 -21.8584 4.82384 50.195 -2.43692 46.6604 2.06131 TIMING: 4301800 CPU: 12780.6, 0.00294999/step Wall: 12780.6, 0.00294999/step, 0.572134 hours remaining, 207.468750 MB of memory in use. ENERGY: 4301800 749.3547 2035.9380 1914.1342 118.9812 -205889.9931 17497.8943 0.0000 0.0000 34168.8920 -149404.7987 298.4054 -183573.6907 -149308.2575 298.1332 -199.7110 -169.3783 558014.2307 -9.1696 -9.0213 PRESSURE: 4302000 187.939 12.9008 -139.965 12.9012 96.2494 -102.23 -139.965 -102.229 -6.63641 GPRESSURE: 4302000 192.134 5.79418 -183.476 38.9308 179.674 -73.2026 -102.497 -165.393 4.38539 PRESSAVG: 4302000 10.7965 29.947 4.99911 29.947 -25.8569 15.6759 4.99917 15.6758 -29.9782 GPRESSAVG: 4302000 11.4892 31.5653 2.94465 28.2911 -25.7323 15.1458 5.11872 16.5048 -29.5729 TIMING: 4302000 CPU: 12781.2, 0.00295985/step Wall: 12781.2, 0.00295985/step, 0.573882 hours remaining, 207.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4302000 735.7170 2011.8830 1932.4182 117.4792 -206419.5674 17904.9376 0.0000 0.0000 34414.6562 -149302.4764 300.5518 -183717.1326 -149203.8051 299.2324 92.5172 125.3980 557497.7194 -15.0128 -14.6053 PRESSURE: 4302200 -29.01 30.956 11.3364 30.955 216.015 60.1954 11.3369 60.1954 209.318 GPRESSURE: 4302200 52.1151 -6.56412 -3.40464 -21.9157 224.516 32.4873 -65.5231 51.9968 220.063 PRESSAVG: 4302200 -26.7889 0.323832 -42.7402 0.323993 19.6322 -15.3389 -42.7402 -15.3389 5.71377 GPRESSAVG: 4302200 -26.3598 -0.845776 -39.3321 -0.508436 18.984 -16.3715 -43.2249 -13.8932 5.78239 TIMING: 4302200 CPU: 12781.8, 0.00294631/step Wall: 12781.8, 0.00294631/step, 0.571094 hours remaining, 207.468750 MB of memory in use. ENERGY: 4302200 732.2735 2075.7553 1926.1437 111.0202 -206230.1704 17978.7442 0.0000 0.0000 34058.9660 -149347.2674 297.4454 -183406.2334 -149260.8833 298.5322 132.1077 165.5645 556927.3774 -0.4810 -0.5311 PRESSURE: 4302400 -186.202 -38.7023 42.3529 -38.7019 98.1234 75.3998 42.3529 75.3998 -80.0229 GPRESSURE: 4302400 -122.909 -57.154 41.3982 -33.079 87.2357 77.8297 16.1941 53.0786 -44.4759 PRESSAVG: 4302400 29.5005 19.8665 14.759 19.8665 13.8132 -5.60407 14.7589 -5.60405 -35.1925 GPRESSAVG: 4302400 29.5881 20.1193 13.7355 20.2019 14.8563 -4.79258 15.0094 -6.32237 -35.787 TIMING: 4302400 CPU: 12782.4, 0.00291702/step Wall: 12782.4, 0.00291702/step, 0.565253 hours remaining, 207.468750 MB of memory in use. ENERGY: 4302400 750.9392 2025.1550 1917.1349 112.9718 -206192.8141 17868.5165 0.0000 0.0000 34482.1528 -149035.9439 301.1412 -183518.0967 -148935.1583 299.2976 -56.0337 -26.7164 557663.2222 2.7070 2.8858 PRESSURE: 4302600 -1.72011 157.243 120.957 157.243 128.299 -33.4386 120.956 -33.4392 220.632 GPRESSURE: 4302600 26.3126 137.25 32.2606 190.494 156.888 -38.9227 67.2185 -74.304 261.147 PRESSAVG: 4302600 3.87907 19.0506 4.17169 19.0506 12.0169 0.159759 4.17174 0.159642 1.91769 GPRESSAVG: 4302600 4.1727 19.3851 3.71701 19.2829 12.0571 -0.201257 3.2077 1.15746 1.34921 TIMING: 4302600 CPU: 12783, 0.00290851/step Wall: 12783, 0.00290851/step, 0.563443 hours remaining, 207.468750 MB of memory in use. ENERGY: 4302600 732.5672 2126.5735 1904.7834 108.5546 -206140.4664 17973.9419 0.0000 0.0000 34313.7267 -148980.3191 299.6703 -183294.0458 -148887.1031 300.0098 115.7371 148.1159 558363.9957 5.9379 5.8597 PRESSURE: 4302800 143.215 -78.2121 -70.8062 -78.2142 -7.93808 29.792 -70.8082 29.7915 -23.616 GPRESSURE: 4302800 185.007 -125.842 -113.187 38.7333 -18.1452 68.3286 -12.3091 15.7368 30.8877 PRESSAVG: 4302800 20.5331 22.0551 17.9185 22.0551 -35.7816 30.1559 17.9186 30.1559 24.3922 GPRESSAVG: 4302800 20.62 23.9691 16.3795 20.7403 -35.3324 30.6999 20.2696 30.0465 24.2947 TIMING: 4302800 CPU: 12783.6, 0.00294173/step Wall: 12783.6, 0.00294173/step, 0.569716 hours remaining, 207.468750 MB of memory in use. ENERGY: 4302800 755.8823 2079.5213 1922.0473 117.6345 -206321.0275 17902.1783 0.0000 0.0000 34480.8790 -149062.8848 301.1301 -183543.7638 -148961.8848 300.6078 37.2202 65.9164 557077.5633 3.0479 3.1941 PRESSURE: 4303000 -190.375 3.80672 -140.114 3.80522 -141.942 -13.1135 -140.113 -13.113 -79.6608 GPRESSURE: 4303000 -153.343 94.8769 -222.4 -40.405 -96.7698 30.8784 -108.461 -17.6429 -65.8717 PRESSAVG: 4303000 -18.0395 18.3839 43.769 18.3838 -38.7093 -64.83 43.7689 -64.8301 51.8189 GPRESSAVG: 4303000 -18.5798 16.4935 44.2489 19.0144 -39.1658 -64.5452 43.0866 -65.4518 52.5193 TIMING: 4303000 CPU: 12784.2, 0.00292649/step Wall: 12784.2, 0.00292649/step, 0.5666 hours remaining, 207.468750 MB of memory in use. ENERGY: 4303000 742.7535 2054.9539 1918.8823 118.0007 -206102.4884 17583.9159 0.0000 0.0000 34394.6217 -149289.3604 300.3768 -183683.9821 -149183.1786 299.9252 -137.3260 -105.3283 557001.7683 -1.6433 -1.7421 PRESSURE: 4303200 -11.9888 -42.9817 -147.642 -42.9828 -78.2007 -0.796658 -147.642 -0.795971 -7.48721 GPRESSURE: 4303200 76.8264 -62.5528 -165.508 -3.56321 -104.585 -24.1634 -63.9268 6.11295 30.8626 PRESSAVG: 4303200 38.2587 29.2344 -28.7825 29.2344 -16.3532 -24.94 -28.7825 -24.9401 20.5636 GPRESSAVG: 4303200 37.8703 30.5773 -27.7953 29.7459 -16.4422 -25.5592 -29.3328 -24.9247 21.1351 TIMING: 4303200 CPU: 12784.8, 0.00294018/step Wall: 12784.8, 0.00294018/step, 0.569089 hours remaining, 207.468750 MB of memory in use. ENERGY: 4303200 737.4631 2068.6742 1919.6011 104.4499 -206459.4624 17809.6534 0.0000 0.0000 34422.2484 -149397.3723 300.6181 -183819.6207 -149300.9785 299.2009 -32.5589 1.0348 555814.6572 14.1564 14.1877 PRESSURE: 4303400 235.346 -121.849 106.559 -121.85 166.236 34.5357 106.561 34.5352 262.799 GPRESSURE: 4303400 243.122 -63.1886 184.999 -150.62 188.66 53.4482 90.1439 72.342 330.857 PRESSAVG: 4303400 -19.652 25.1953 9.48151 25.1953 -40.7192 -34.7745 9.48157 -34.7744 43.5209 GPRESSAVG: 4303400 -20.5609 24.4447 10.1488 26.2701 -39.3422 -35.3106 8.95065 -33.9941 42.5434 TIMING: 4303400 CPU: 12785.3, 0.00295996/step Wall: 12785.3, 0.00295996/step, 0.572752 hours remaining, 207.468750 MB of memory in use. ENERGY: 4303400 756.3692 2016.0153 1935.7975 120.1417 -206791.2846 18281.4096 0.0000 0.0000 34479.1399 -149202.4114 301.1149 -183681.5513 -149100.4530 299.5802 221.4602 254.2128 556364.5483 -5.6168 -5.7866 PRESSURE: 4303600 33.1933 39.748 135.934 39.7465 -219.236 -54.9514 135.934 -54.9522 -165.339 GPRESSURE: 4303600 73.0235 29.5779 213.282 115.415 -172.002 -100.644 122.366 -27.7611 -145.991 PRESSAVG: 4303600 -2.89758 34.042 18.7937 34.0421 -15.5631 -9.29261 18.7938 -9.29266 45.7446 GPRESSAVG: 4303600 -2.30859 31.9913 21.5887 33.4675 -16.1911 -8.39726 17.5106 -8.87797 45.6932 TIMING: 4303600 CPU: 12785.9, 0.00292374/step Wall: 12785.9, 0.00292374/step, 0.56558 hours remaining, 207.468750 MB of memory in use. ENERGY: 4303600 767.2825 2075.1234 1928.5542 109.6451 -206171.0641 17812.2943 0.0000 0.0000 34273.3010 -149204.8635 299.3173 -183478.1646 -149110.9002 299.4301 -117.1273 -81.6563 556605.4519 9.0946 9.0645 PRESSURE: 4303800 -40.159 -47.9806 142.388 -47.9812 78.1453 -77.6862 142.389 -77.6852 171.434 GPRESSURE: 4303800 -28.9428 -41.1273 204.189 -49.2616 150.574 -85.7851 168.296 -64.1944 181.249 PRESSAVG: 4303800 -52.7622 -12.819 40.3051 -12.8191 29.6437 8.22546 40.3051 8.22542 33.0517 GPRESSAVG: 4303800 -50.9981 -12.0233 37.7784 -12.8365 28.4271 5.81187 41.9962 8.9552 32.2942 TIMING: 4303800 CPU: 12786.5, 0.00292828/step Wall: 12786.5, 0.00292828/step, 0.566296 hours remaining, 207.468750 MB of memory in use. ENERGY: 4303800 741.3671 2092.3063 1943.8862 109.0909 -206189.5614 17762.3468 0.0000 0.0000 34383.7145 -149156.8497 300.2815 -183540.5642 -149063.4928 299.3816 69.8066 100.9602 555938.1182 3.3111 3.2410 PRESSURE: 4304000 -109.444 -89.37 -281.637 -89.3702 -23.43 151.302 -281.635 151.302 171.7 GPRESSURE: 4304000 -58.9874 -14.4078 -336.321 -193.064 -28.828 77.6735 -315.948 165.193 227.559 PRESSAVG: 4304000 -26.2982 -18.6415 -21.773 -18.6415 -15.8166 6.83987 -21.7731 6.83987 39.3465 GPRESSAVG: 4304000 -28.1722 -16.6296 -21.9468 -19.2941 -15.0042 8.29567 -22.2269 5.1479 40.3416 TIMING: 4304000 CPU: 12787.1, 0.00291413/step Wall: 12787.1, 0.00291413/step, 0.563398 hours remaining, 207.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4304000 706.9210 2041.0183 1944.2341 108.1206 -206432.4799 17839.2356 0.0000 0.0000 34546.8143 -149246.1361 301.7059 -183792.9503 -149146.7611 299.3799 12.9419 46.5811 556498.9003 -0.9228 -0.9449 PRESSURE: 4304200 107.524 10.8098 62.0092 10.8091 299.335 -117.895 62.0088 -117.895 138.373 GPRESSURE: 4304200 180.596 43.2974 64.3746 22.2036 308.056 -84.1591 32.6217 -159.206 146.003 PRESSAVG: 4304200 -10.1909 33.5083 -34.5466 33.5084 -56.7758 -7.914 -34.5466 -7.91393 74.968 GPRESSAVG: 4304200 -9.20284 30.9584 -33.4738 34.1816 -57.3629 -7.36231 -35.357 -6.95734 74.8428 TIMING: 4304200 CPU: 12787.7, 0.00294087/step Wall: 12787.7, 0.00294087/step, 0.568405 hours remaining, 207.468750 MB of memory in use. ENERGY: 4304200 697.4441 2119.9189 1940.2861 105.5331 -206307.9946 17805.5215 0.0000 0.0000 34288.0846 -149351.2063 299.4464 -183639.2909 -149261.8483 299.5440 181.7442 211.5516 553389.9721 2.6671 2.7590 LDB: ============= START OF LOAD BALANCING ============== 12791.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12791.2 LDB: =============== DONE WITH MIGRATION ================ 12791.2 LDB: ============= START OF LOAD BALANCING ============== 12791.5 LDB: Largest compute 4801 load 0.022562 is 19.1% of average load 0.118301 LDB: Average compute 0.001730 is 1.5% of average load 0.118301 LDB: TIME 12791.5 LOAD: AVG 0.118301 MAX 0.197878 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.98 MB LDB: TIME 12791.5 LOAD: AVG 0.118301 MAX 0.197878 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.145 MB LDB: TIME 12791.5 LOAD: AVG 0.118301 MAX 0.197878 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.145 MB LDB: ============== END OF LOAD BALANCING =============== 12791.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12791.5 PRESSURE: 4304400 9.04691 -104.08 -254.458 -104.08 54.1341 27.911 -254.459 27.9118 -258.094 GPRESSURE: 4304400 47.7014 -145.316 -232.132 -28.2632 61.0055 79.3084 -225.096 -77.4338 -210.842 PRESSAVG: 4304400 -17.2868 28.2986 5.44525 28.2987 15.3124 -6.21496 5.44527 -6.21496 2.73207 GPRESSAVG: 4304400 -16.6166 30.9803 5.00552 27.8678 15.5691 -7.83991 5.91329 -6.85501 2.14606 TIMING: 4304400 CPU: 12788.3, 0.00300186/step Wall: 12788.3, 0.00300186/step, 0.580027 hours remaining, 208.425781 MB of memory in use. ENERGY: 4304400 713.8778 2082.5335 1938.6859 109.0310 -206089.0697 17565.6179 0.0000 0.0000 34307.4310 -149371.8926 299.6153 -183679.3236 -149274.5479 298.6896 -64.9710 -34.0452 556261.6699 0.2526 0.3662 PRESSURE: 4304600 225.675 95.6175 -100.991 95.6156 -158.365 -31.901 -100.992 -31.9003 52.5774 GPRESSURE: 4304600 163.636 173.055 -103.924 155.282 -57.0702 -23.4965 -92.3941 -46.9225 102.11 PRESSAVG: 4304600 -23.1206 90.8815 -69.2585 90.8814 -2.38746 -5.12703 -69.2585 -5.12715 -2.05998 GPRESSAVG: 4304600 -24.438 90.4335 -69.5205 88.2756 -2.10195 -3.38353 -69.1731 -5.32187 -1.48724 TIMING: 4304600 CPU: 12788.9, 0.00293954/step Wall: 12788.9, 0.00293954/step, 0.567822 hours remaining, 208.703125 MB of memory in use. ENERGY: 4304600 724.7460 2040.1224 1936.0781 107.0816 -206290.7774 17861.5561 0.0000 0.0000 34212.8841 -149408.3091 298.7896 -183621.1932 -149315.4586 298.6090 39.9625 69.5586 557545.8317 -9.1893 -9.3424 PRESSURE: 4304800 108.505 -217.543 -36.1237 -217.543 81.2572 39.8089 -36.1237 39.8074 286.713 GPRESSURE: 4304800 99.4961 -239.533 -8.17549 -151.241 148.755 79.5333 -70.3186 -5.87199 324.641 PRESSAVG: 4304800 -73.238 58.3478 -12.8589 58.3477 2.31945 4.25701 -12.8589 4.25711 90.8176 GPRESSAVG: 4304800 -72.2112 55.4396 -12.5279 61.1476 1.15965 4.42946 -12.62 2.53851 91.3235 TIMING: 4304800 CPU: 12789.5, 0.00293618/step Wall: 12789.5, 0.00293618/step, 0.567008 hours remaining, 208.703125 MB of memory in use. ENERGY: 4304800 748.1440 2076.2488 1941.1604 115.3775 -206434.0597 17923.9876 0.0000 0.0000 34407.3933 -149221.7481 300.4883 -183629.1414 -149130.1465 299.0353 158.8251 190.9639 557223.2737 6.6330 6.7573 PRESSURE: 4305000 -146.913 135.647 47.2058 135.646 -153.885 71.7571 47.2056 71.7553 -358.699 GPRESSURE: 4305000 -125.39 75.5781 51.7695 163.986 -109.504 16.4716 2.2166 82.4746 -318.599 PRESSAVG: 4305000 -54.2281 -15.4727 48.5635 -15.4726 28.8767 -17.4527 48.5634 -17.4527 -16.5337 GPRESSAVG: 4305000 -53.8682 -13.7786 47.2255 -16.9878 29.4523 -17.2821 50.6174 -15.0055 -17.3399 TIMING: 4305000 CPU: 12790.1, 0.00295008/step Wall: 12790.1, 0.00295008/step, 0.569529 hours remaining, 208.703125 MB of memory in use. ENERGY: 4305000 768.8338 2058.0879 1938.8947 114.0609 -205658.0740 17433.9739 0.0000 0.0000 34141.0305 -149203.1923 298.1621 -183344.2227 -149114.4638 298.8873 -219.8322 -184.4976 558435.8597 -13.9617 -13.9186 PRESSURE: 4305200 -241.102 31.6641 42.7025 31.6643 120.562 16.8301 42.7017 16.8298 70.613 GPRESSURE: 4305200 -211.763 30.0342 49.7095 76.7389 162.958 64.7075 83.5614 -7.43165 90.7857 PRESSAVG: 4305200 -25.5766 -5.27044 21.472 -5.27051 -22.5949 4.29088 21.472 4.29084 63.45 GPRESSAVG: 4305200 -26.3567 -6.27217 21.7898 -4.01537 -22.2972 3.5036 21.741 3.04945 64.3544 TIMING: 4305200 CPU: 12790.6, 0.00294196/step Wall: 12790.6, 0.00294196/step, 0.567798 hours remaining, 208.703125 MB of memory in use. ENERGY: 4305200 739.6470 2088.1029 1927.0379 109.1657 -206081.8351 17666.5732 0.0000 0.0000 34346.0170 -149205.2915 299.9523 -183551.3085 -149109.4235 299.6176 -16.6423 13.9934 556781.4993 5.0928 5.2335 PRESSURE: 4305400 163.756 137.445 137.82 137.445 15.3786 -188.055 137.82 -188.054 16.9827 GPRESSURE: 4305400 226.057 126.903 95.9515 26.3107 8.16335 -198.54 224.093 -167.621 56.754 PRESSAVG: 4305400 23.692 12.1471 36.5345 12.1471 -27.3556 -28.2306 36.5346 -28.2305 -16.8149 GPRESSAVG: 4305400 22.8831 12.5252 38.954 12.4222 -26.5114 -28.327 35.6912 -27.4069 -16.6784 TIMING: 4305400 CPU: 12791.2, 0.0029137/step Wall: 12791.2, 0.0029137/step, 0.562182 hours remaining, 208.703125 MB of memory in use. ENERGY: 4305400 715.5686 2074.0069 1948.3180 112.4708 -206287.1735 18015.3160 0.0000 0.0000 34363.2466 -149058.2467 300.1028 -183421.4933 -148962.0340 299.7832 65.3725 96.9914 557426.8266 -6.8262 -6.7689 PRESSURE: 4305600 97.0992 -21.5848 -12.6904 -21.5851 26.416 88.2475 -12.6894 88.2472 370.563 GPRESSURE: 4305600 137.968 39.2247 -10.2727 52.9564 129.167 76.3872 66.5321 71.3695 315.635 PRESSAVG: 4305600 29.5682 -10.9358 37.9836 -10.9358 7.7485 9.92439 37.9837 9.92432 -18.1995 GPRESSAVG: 4305600 30.9009 -7.29168 35.7583 -13.2814 6.53703 12.8664 37.0699 9.45498 -18.416 TIMING: 4305600 CPU: 12791.8, 0.00292821/step Wall: 12791.8, 0.00292821/step, 0.564819 hours remaining, 208.703125 MB of memory in use. ENERGY: 4305600 714.8768 2063.5815 1920.1205 106.3427 -206183.6017 17794.3700 0.0000 0.0000 34439.2122 -149145.0980 300.7662 -183584.3101 -149040.3184 299.7943 164.6927 194.2567 555550.8913 6.3724 6.3406 PRESSURE: 4305800 15.9485 -224.806 -61.8424 -224.806 -290.882 198.3 -61.8425 198.302 -170.701 GPRESSURE: 4305800 35.151 -128.842 -77.2104 -227.159 -276.143 177.493 -78.5898 214.602 -107.359 PRESSAVG: 4305800 78.1878 -10.1683 -11.503 -10.1682 -35.3845 54.2145 -11.503 54.2144 7.02011 GPRESSAVG: 4305800 77.8947 -11.7591 -9.23114 -10.8212 -35.6291 51.0056 -12.3648 54.5182 7.43934 TIMING: 4305800 CPU: 12792.4, 0.00295166/step Wall: 12792.4, 0.00295166/step, 0.569178 hours remaining, 208.703125 MB of memory in use. ENERGY: 4305800 759.0381 2079.3635 1951.4172 125.2819 -205838.8365 17466.2251 0.0000 0.0000 34318.1157 -149139.3949 299.7086 -183457.5106 -149042.5952 299.8014 -148.5450 -116.1172 556681.4624 16.6078 16.5683 PRESSURE: 4306000 137.49 -66.9412 -4.18944 -66.9405 164.146 34.461 -4.18956 34.4609 52.1263 GPRESSURE: 4306000 151.479 -138.629 -80.9265 -1.7434 214.794 138.781 102.894 -33.0989 89.3296 PRESSAVG: 4306000 15.5028 -61.5515 -6.50368 -61.5515 -25.8665 -25.8245 -6.50366 -25.8247 2.15631 GPRESSAVG: 4306000 14.6664 -63.1675 -8.24883 -58.9585 -24.2896 -25.433 -6.11942 -26.4542 1.81903 TIMING: 4306000 CPU: 12793, 0.00292068/step Wall: 12793, 0.00292067/step, 0.563041 hours remaining, 208.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4306000 721.8998 2114.2517 1920.2169 111.3160 -206039.1122 17904.6984 0.0000 0.0000 34148.1194 -149118.6099 298.2240 -183266.7293 -149023.8445 298.9158 117.9206 151.8678 558449.3831 -2.7358 -2.6014 PRESSURE: 4306200 -84.4732 -184.352 33.964 -184.353 354.567 -12.5853 33.9642 -12.5852 310.902 GPRESSURE: 4306200 11.6985 -230.93 49.2936 -166.102 375.291 40.8876 54.4112 -21.5468 293.067 PRESSAVG: 4306200 -25.1051 -1.01891 -32.7578 -1.01891 -15.1584 -0.675159 -32.7578 -0.675177 -4.25662 GPRESSAVG: 4306200 -23.2417 1.1526 -33.7305 -3.27966 -16.3027 -1.53769 -32.8813 -0.902384 -4.0261 TIMING: 4306200 CPU: 12793.6, 0.00293914/step Wall: 12793.6, 0.00293914/step, 0.566437 hours remaining, 208.703125 MB of memory in use. ENERGY: 4306200 742.3303 2125.0069 1926.7624 107.9765 -206421.3206 18144.9898 0.0000 0.0000 34207.3488 -149166.9059 298.7413 -183374.2547 -149075.5211 299.6575 193.6654 226.6857 558076.6074 -14.8400 -14.5235 PRESSURE: 4306400 -69.6319 226.391 -90.6681 226.392 -100.653 -32.1763 -90.6679 -32.177 204.101 GPRESSURE: 4306400 -73.8447 196.254 -87.3833 162.845 -56.0139 -63.6282 -39.542 10.0268 253.375 PRESSAVG: 4306400 -73.8674 -12.0898 32.8286 -12.0899 35.5225 -30.0291 32.8287 -30.0292 74.6468 GPRESSAVG: 4306400 -73.265 -11.6965 33.137 -11.4361 35.4902 -29.3912 33.3239 -29.9725 74.0512 TIMING: 4306400 CPU: 12794.2, 0.00295467/step Wall: 12794.2, 0.00295467/step, 0.569267 hours remaining, 208.703125 MB of memory in use. ENERGY: 4306400 757.2401 2110.0509 1960.1382 106.8945 -206306.7012 17945.7007 0.0000 0.0000 34228.8155 -149197.8613 298.9288 -183426.6769 -149103.6629 299.4032 11.2720 41.1720 557832.6790 12.1006 12.0921 PRESSURE: 4306600 -113.853 22.4495 -13.3251 22.45 191.592 -66.0329 -13.3258 -66.0342 -144.149 GPRESSURE: 4306600 -34.3558 77.88 0.0446449 -8.9197 155.607 -2.84509 -2.70189 -158.978 -92.3625 PRESSAVG: 4306600 -61.0008 31.5864 -59.3335 31.5865 -33.4819 -8.23908 -59.3335 -8.23907 67.6993 GPRESSAVG: 4306600 -62.7874 28.563 -57.9912 33.7675 -32.6719 -9.04288 -61.1561 -7.81724 68.1536 TIMING: 4306600 CPU: 12794.8, 0.0029611/step Wall: 12794.8, 0.0029611/step, 0.570341 hours remaining, 208.703125 MB of memory in use. ENERGY: 4306600 752.7491 2074.8129 1945.2567 111.6959 -206262.0357 17806.1184 0.0000 0.0000 34402.8910 -149168.5117 300.4490 -183571.4026 -149072.3531 299.5053 -22.1368 9.6295 556783.0921 -8.9278 -9.1019 PRESSURE: 4306800 -6.68074 19.3412 -74.6829 19.3413 -110.605 29.0824 -74.6831 29.0829 12.1292 GPRESSURE: 4306800 -19.9484 -40.472 -76.8116 107.869 -53.7334 -34.7565 -29.8658 -32.1361 72.5099 PRESSAVG: 4306800 25.9321 -10.6522 -4.93502 -10.6521 4.01991 -58.3328 -4.93513 -58.3327 -27.0446 GPRESSAVG: 4306800 25.4315 -8.29416 -7.14083 -12.0995 4.30632 -57.6905 -0.571874 -59.536 -26.6494 TIMING: 4306800 CPU: 12795.3, 0.00294478/step Wall: 12795.3, 0.00294478/step, 0.567033 hours remaining, 208.910156 MB of memory in use. ENERGY: 4306800 743.8572 2141.3863 1911.3843 107.8389 -206333.7934 17787.2135 0.0000 0.0000 34388.9596 -149253.1535 300.3273 -183642.1131 -149152.3870 299.4906 -35.0521 -0.3906 557355.6182 0.9691 1.0295 PRESSURE: 4307000 -52.1974 -45.861 -65.5206 -45.8625 -139.649 116.582 -65.5198 116.585 13.6735 GPRESSURE: 4307000 -42.8473 -28.1196 -48.3703 -74.6364 -84.1882 47.5647 -59.3938 171.015 47.9005 PRESSAVG: 4307000 -64.247 -57.796 -39.4656 -57.7961 42.8549 64.7846 -39.4656 64.7847 42.7673 GPRESSAVG: 4307000 -63.293 -58.9581 -38.6799 -59.4284 41.9728 64.096 -41.7771 67.0483 42.5953 TIMING: 4307000 CPU: 12795.9, 0.00296889/step Wall: 12795.9, 0.00296889/step, 0.571512 hours remaining, 208.910156 MB of memory in use. ENERGY: 4307000 758.2481 2131.6330 1939.2230 120.2564 -206146.4528 17812.5857 0.0000 0.0000 34215.7797 -149168.7269 298.8149 -183384.5065 -149071.5070 299.1234 -59.3908 -26.3783 556605.0595 7.1251 7.0917 PRESSURE: 4307200 -140.465 206.302 72.8084 206.302 -123.072 -62.5644 72.8082 -62.5653 66.6094 GPRESSURE: 4307200 -147.131 175.725 14.8667 181.664 -110.946 -72.1282 221.813 -22.2555 161.915 PRESSAVG: 4307200 -26.3345 3.87338 1.33585 3.87334 -0.117243 -52.6602 1.33586 -52.6602 42.8539 GPRESSAVG: 4307200 -28.3397 3.24774 -0.158373 5.28688 1.23427 -51.4495 2.4809 -53.0264 43.5797 TIMING: 4307200 CPU: 12796.5, 0.00296599/step Wall: 12796.5, 0.00296599/step, 0.570788 hours remaining, 208.910156 MB of memory in use. ENERGY: 4307200 749.1850 2052.2753 1928.3411 120.2555 -206128.3136 17768.1569 0.0000 0.0000 34381.1168 -149128.9829 300.2588 -183510.0997 -149033.7872 299.8001 -65.6426 -32.0537 556253.6412 5.4674 5.4914 PRESSURE: 4307400 -39.0798 -104.624 -93.9491 -104.626 -49.1021 104.672 -93.9486 104.674 60.8095 GPRESSURE: 4307400 16.0202 -185.39 -34.1888 -82.2205 10.661 23.642 -224.023 56.0247 45.8825 PRESSAVG: 4307400 -86.4125 -0.582569 -3.06605 -0.582601 70.8849 24.8396 -3.06619 24.8398 22.0688 GPRESSAVG: 4307400 -83.7024 -1.14391 -1.98719 -1.01482 69.9074 25.6601 -4.87943 23.0355 20.5967 TIMING: 4307400 CPU: 12797.1, 0.0029381/step Wall: 12797.1, 0.0029381/step, 0.565257 hours remaining, 208.968750 MB of memory in use. ENERGY: 4307400 696.7784 2096.7924 1929.5177 115.4421 -206176.2888 17722.1786 0.0000 0.0000 34468.9675 -149146.6120 301.0261 -183615.5795 -149045.0551 300.2995 -9.1241 24.1879 556044.9605 2.1804 2.2672 PRESSURE: 4307600 -32.5082 17.5001 -106.512 17.4994 -92.3496 -190.659 -106.511 -190.659 -26.3905 GPRESSURE: 4307600 39.8246 -37.3243 -128.227 40.2306 -75.7136 -184.709 -165.482 -259.052 -23.0741 PRESSAVG: 4307600 3.45701 25.7635 -78.6279 25.7635 -36.9124 30.3484 -78.628 30.3482 32.539 GPRESSAVG: 4307600 3.40486 27.2632 -79.0425 25.0882 -38.28 29.7619 -77.5192 31.2002 33.7606 TIMING: 4307600 CPU: 12797.7, 0.00294552/step Wall: 12797.7, 0.00294552/step, 0.566522 hours remaining, 208.968750 MB of memory in use. ENERGY: 4307600 761.4863 2033.5158 1937.6034 117.7026 -205901.1345 17673.3491 0.0000 0.0000 34165.5338 -149211.9435 298.3761 -183377.4773 -149115.0433 299.0216 -50.4161 -19.6543 557290.7922 -0.3055 -0.3715 PRESSURE: 4307800 216.286 118.172 -120.161 118.171 256.576 101.679 -120.16 101.679 30.7184 GPRESSURE: 4307800 293.575 123.583 -50.337 111.867 322.8 130.532 -142.166 6.90223 -19.6927 PRESSAVG: 4307800 7.7568 63.641 -2.11571 63.641 -8.56996 59.4922 -2.11569 59.4923 6.55112 GPRESSAVG: 4307800 7.31333 64.1573 -0.792332 62.8444 -7.82202 57.8115 -2.5106 60.4392 6.7743 TIMING: 4307800 CPU: 12798.3, 0.00294967/step Wall: 12798.3, 0.00294967/step, 0.567157 hours remaining, 208.968750 MB of memory in use. ENERGY: 4307800 717.9970 2123.7586 1916.8354 114.0858 -206336.6641 17963.5172 0.0000 0.0000 34449.2915 -149051.1785 300.8542 -183500.4700 -148954.5165 298.6028 167.8601 198.8942 557295.8874 1.9127 2.0885 PRESSURE: 4308000 -104.589 -35.3872 -279.647 -35.3866 174.127 -4.01492 -279.646 -4.01549 -113.02 GPRESSURE: 4308000 -4.96663 -21.2569 -257.012 -14.7846 190.981 37.293 -317.179 66.0772 -133.467 PRESSAVG: 4308000 36.0018 -11.4533 18.5496 -11.4533 9.26308 43.1151 18.5495 43.1153 -21.9394 GPRESSAVG: 4308000 35.2642 -11.1023 16.8576 -9.57782 10.7078 41.91 20.1272 43.1947 -22.4669 TIMING: 4308000 CPU: 12798.9, 0.00294416/step Wall: 12798.9, 0.00294416/step, 0.565934 hours remaining, 208.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4308000 751.5189 2083.2105 1937.3575 111.7045 -206391.6101 17955.9552 0.0000 0.0000 34346.5738 -149205.2897 299.9572 -183551.8635 -149110.4847 299.4401 -14.4938 17.5157 557403.3967 7.7752 7.8350 PRESSURE: 4308200 -68.4435 45.6623 -62.0811 45.6606 175.718 -14.9526 -62.0809 -14.9527 9.64625 GPRESSURE: 4308200 -76.0951 52.2928 -75.8836 125.659 210.835 19.0555 -141.387 -36.6933 82.5109 PRESSAVG: 4308200 -46.9056 -37.2497 -30.5909 -37.2496 -9.5524 9.30093 -30.5908 9.30093 50.8524 GPRESSAVG: 4308200 -45.4281 -35.5827 -28.4143 -39.5333 -10.2608 13.2984 -33.7165 7.54394 50.4993 TIMING: 4308200 CPU: 12799.5, 0.0029229/step Wall: 12799.5, 0.0029229/step, 0.561685 hours remaining, 208.968750 MB of memory in use. ENERGY: 4308200 749.9978 2134.8471 1922.3250 113.4638 -206174.5864 17928.1309 0.0000 0.0000 34274.0850 -149051.7368 299.3241 -183325.8218 -148954.5014 300.2655 38.9735 72.4171 557491.7581 -1.8686 -1.7298 LDB: ============= START OF LOAD BALANCING ============== 12803 LDB: ============== END OF LOAD BALANCING =============== 12803 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12803 LDB: ============= START OF LOAD BALANCING ============== 12803.3 LDB: Largest compute 4802 load 0.021942 is 18.5% of average load 0.118286 LDB: Average compute 0.001733 is 1.5% of average load 0.118286 LDB: TIME 12803.3 LOAD: AVG 0.118286 MAX 0.197749 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.988 MB LDB: TIME 12803.3 LOAD: AVG 0.118286 MAX 0.197749 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.988 MB LDB: TIME 12803.3 LOAD: AVG 0.118286 MAX 0.197749 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.988 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12803.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12803.3 PRESSURE: 4308400 -108.11 -40.9138 93.9858 -40.9154 -86.8266 -85.2929 93.9862 -85.293 75.855 GPRESSURE: 4308400 -46.8368 -24.9605 144.447 27.2771 -57.1918 -1.91203 70.0417 -39.884 79.309 PRESSAVG: 4308400 -41.9699 103.724 32.2041 103.724 -2.71886 5.69077 32.2041 5.69089 56.2541 GPRESSAVG: 4308400 -42.3521 103.243 31.1981 106.433 -1.78667 4.05816 33.6183 6.40099 55.3748 TIMING: 4308400 CPU: 12800.1, 0.00299671/step Wall: 12800.1, 0.00299671/step, 0.575702 hours remaining, 208.500000 MB of memory in use. ENERGY: 4308400 741.2732 2092.2223 1938.0678 113.4257 -206073.5707 17831.5177 0.0000 0.0000 34224.7564 -149132.3076 298.8933 -183357.0641 -149041.0597 300.1069 -39.6939 -8.2398 556662.2530 3.8551 3.7454 PRESSURE: 4308600 -366.123 -124.316 -54.566 -124.315 -248.598 -56.1572 -54.5668 -56.1547 -64.6523 GPRESSURE: 4308600 -292.211 -208.018 -42.282 -110.462 -213.388 -123.3 -70.6688 -87.4843 -63.2274 PRESSAVG: 4308600 76.9652 47.0638 22.5215 47.0638 8.04895 -48.3388 22.5214 -48.3386 -54.2279 GPRESSAVG: 4308600 77.4664 42.4799 23.5173 45.2888 7.23554 -48.3405 24.6409 -47.868 -53.9008 TIMING: 4308600 CPU: 12800.7, 0.00293103/step Wall: 12800.7, 0.00293103/step, 0.562921 hours remaining, 208.500000 MB of memory in use. ENERGY: 4308600 751.7608 2123.2001 1957.6023 109.9903 -205947.6233 17497.2914 0.0000 0.0000 34327.9840 -149179.7944 299.7948 -183507.7783 -149088.6450 299.2973 -226.4577 -189.6086 556893.6998 10.2621 10.2671 PRESSURE: 4308800 147.133 10.2402 -4.03734 10.2394 108.631 127.655 -4.03693 127.655 -53.8446 GPRESSURE: 4308800 172.074 -15.5324 25.2377 57.9255 97.2206 144.192 40.7272 77.7169 21.3931 PRESSAVG: 4308800 -9.73085 -28.5638 -8.60795 -28.5639 23.9389 -54.2464 -8.60796 -54.2463 14.4752 GPRESSAVG: 4308800 -9.78938 -28.3188 -9.5895 -27.8142 23.3843 -55.5998 -8.32846 -55.3128 14.5496 TIMING: 4308800 CPU: 12801.2, 0.00293072/step Wall: 12801.2, 0.00293072/step, 0.562699 hours remaining, 208.500000 MB of memory in use. ENERGY: 4308800 729.5308 2140.8859 1934.2861 111.6721 -206618.4122 17989.5346 0.0000 0.0000 34436.4678 -149276.0349 300.7422 -183712.5026 -149181.3550 299.4023 67.3065 96.8959 557987.2185 9.5611 9.3815 PRESSURE: 4309000 -171.57 141.403 -14.9664 141.403 -84.8551 31.1676 -14.9655 31.1676 -41.2766 GPRESSURE: 4309000 -134.334 151.644 18.9945 144.978 -32.4727 29.707 -36.544 -17.919 -30.0485 PRESSAVG: 4309000 -36.1293 41.5565 -75.1802 41.5565 36.7901 24.5361 -75.1802 24.5361 -11.3613 GPRESSAVG: 4309000 -36.8875 45.7059 -75.1634 39.282 37.1462 26.5348 -76.3245 26.616 -11.2745 TIMING: 4309000 CPU: 12801.8, 0.00293021/step Wall: 12801.8, 0.00293021/step, 0.562438 hours remaining, 208.500000 MB of memory in use. ENERGY: 4309000 771.3823 2120.4560 1931.8415 108.8221 -205962.1704 17593.9510 0.0000 0.0000 34309.9100 -149125.8076 299.6370 -183435.7176 -149027.4111 299.6805 -99.2338 -65.6184 557789.4317 -3.5668 -3.6720 PRESSURE: 4309200 177.917 102.964 -41.1025 102.966 122.723 100.167 -41.1033 100.167 -32.5906 GPRESSURE: 4309200 275.98 96.2834 -15.4002 206.103 98.5359 146.784 -12.2827 30.1417 -3.23649 PRESSAVG: 4309200 -74.936 46.517 -22.0689 46.517 67.8032 9.90238 -22.0689 9.90228 -18.2886 GPRESSAVG: 4309200 -75.152 44.0423 -18.1051 48.0085 68.2822 9.82821 -24.7261 6.99894 -19.0113 TIMING: 4309200 CPU: 12802.4, 0.00291457/step Wall: 12802.4, 0.00291457/step, 0.559273 hours remaining, 208.500000 MB of memory in use. ENERGY: 4309200 730.5513 2081.0740 1966.4012 109.9958 -206278.3900 18022.1847 0.0000 0.0000 34283.0329 -149085.1500 299.4023 -183368.1829 -148992.8246 300.2635 89.3498 123.7598 556439.1357 -8.4738 -8.6270 PRESSURE: 4309400 -141.828 -97.4562 18.7546 -97.4569 -57.1854 50.8458 18.7554 50.8458 136.819 GPRESSURE: 4309400 -173.645 -122.195 2.45599 -108.156 56.3152 71.5766 6.24154 52.7232 147.507 PRESSAVG: 4309400 -3.79395 24.7405 -45.5351 24.7405 10.741 -36.4398 -45.5351 -36.4397 3.29421 GPRESSAVG: 4309400 -4.23828 24.1984 -50.0306 24.7697 9.8073 -37.8375 -41.5661 -33.9789 4.56897 TIMING: 4309400 CPU: 12803, 0.0029238/step Wall: 12803, 0.0029238/step, 0.560881 hours remaining, 208.500000 MB of memory in use. ENERGY: 4309400 761.3455 2109.0850 1910.7025 111.6945 -206545.4353 17937.2326 0.0000 0.0000 34348.0095 -149367.3657 299.9697 -183715.3752 -149274.5864 299.8977 -20.7314 10.0593 555550.3907 3.4138 3.3793 PRESSURE: 4309600 173.161 34.4744 17.5414 34.4745 415.185 -46.6913 17.5409 -46.691 117.989 GPRESSURE: 4309600 213.294 6.85071 -1.09567 19.3602 407.743 -102.718 18.5047 -41.0526 167.857 PRESSAVG: 4309600 43.3413 0.840351 -21.4387 0.840426 -1.81368 6.12429 -21.4388 6.12429 -44.1209 GPRESSAVG: 4309600 44.9556 -0.983252 -20.1548 0.00954156 -2.5852 8.54081 -22.7016 5.84572 -44.4837 TIMING: 4309600 CPU: 12803.6, 0.00292607/step Wall: 12803.6, 0.00292607/step, 0.561156 hours remaining, 208.500000 MB of memory in use. ENERGY: 4309600 743.9282 2091.3019 1926.2046 111.0645 -206662.6689 18014.0872 0.0000 0.0000 34302.6748 -149473.4077 299.5738 -183776.0825 -149374.4745 299.6615 235.4451 262.9648 555460.4789 -0.8644 -0.7044 PRESSURE: 4309800 -48.9593 61.5027 -128.79 61.5021 -551.648 130.314 -128.791 130.315 -190.302 GPRESSURE: 4309800 -52.593 70.0382 -103.091 55.5518 -484.152 -30.7633 -197.63 46.0077 -166.712 PRESSAVG: 4309800 15.2408 50.6821 15.1705 50.6822 17.3887 -53.9094 15.1704 -53.9095 -60.0864 GPRESSAVG: 4309800 15.3496 51.3855 15.7389 52.2693 17.868 -54.2328 14.2154 -53.3753 -60.1916 TIMING: 4309800 CPU: 12804.2, 0.00293409/step Wall: 12804.2, 0.00293409/step, 0.562531 hours remaining, 208.500000 MB of memory in use. ENERGY: 4309800 730.3837 2064.8046 1943.5319 108.8761 -205748.8981 17400.9568 0.0000 0.0000 34002.5082 -149497.8369 296.9524 -183500.3451 -149399.3398 298.5432 -263.6365 -234.4855 558454.3816 -9.1523 -8.9914 PRESSURE: 4310000 244.526 -131.731 34.0939 -131.73 -125.761 149.206 34.0934 149.206 61.5231 GPRESSURE: 4310000 196.931 -129.425 91.9214 -119.237 2.58407 158.601 32.9659 219.082 68.4375 PRESSAVG: 4310000 15.718 -73.5039 -20.4836 -73.5039 -10.7542 2.33398 -20.4836 2.33388 65.7924 GPRESSAVG: 4310000 15.4698 -73.2973 -19.9157 -74.8213 -9.6107 2.13865 -20.2605 2.15156 64.8106 TIMING: 4310000 CPU: 12804.8, 0.00292519/step Wall: 12804.8, 0.00292519/step, 0.560662 hours remaining, 208.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4310000 718.0721 2117.4999 1927.9765 109.5464 -206290.0003 17742.2633 0.0000 0.0000 34209.1393 -149465.5027 298.7569 -183674.6420 -149366.9659 298.3118 60.0962 89.3175 555778.8529 23.5854 23.5566 PRESSURE: 4310200 -252.4 107.252 -100.304 107.253 125.755 -74.2907 -100.303 -74.2927 57.7605 GPRESSURE: 4310200 -197.428 65.2443 -211.122 142.537 164.102 -115.562 -19.6276 -17.9311 50.9883 PRESSAVG: 4310200 -20.0768 -68.0495 19.0745 -68.0494 64.3557 -26.2396 19.0746 -26.2396 -40.648 GPRESSAVG: 4310200 -19.4123 -66.5862 18.0217 -68.131 64.5408 -26.6482 19.9415 -26.6133 -41.7018 TIMING: 4310200 CPU: 12805.3, 0.00291579/step Wall: 12805.3, 0.00291579/step, 0.558697 hours remaining, 208.500000 MB of memory in use. ENERGY: 4310200 755.4503 2071.7276 1967.8186 116.0402 -206240.5263 17793.7758 0.0000 0.0000 34167.9934 -149367.7203 298.3976 -183535.7138 -149274.7011 298.7647 -22.9613 5.8875 557297.7982 1.2103 1.1422 PRESSURE: 4310400 171.233 17.9046 -15.336 17.9046 2.63217 0.82864 -15.3373 0.828363 201.054 GPRESSURE: 4310400 229.462 -11.4838 -60.6646 122.121 57.435 -7.8683 -0.850805 -49.5115 170.07 PRESSAVG: 4310400 -21.5743 -15.4943 -20.3966 -15.4943 17.5467 25.0592 -20.3966 25.0592 -21.5528 GPRESSAVG: 4310400 -21.7292 -16.1307 -19.0986 -15.03 16.5904 26.3508 -20.7768 25.3709 -20.0629 TIMING: 4310400 CPU: 12805.9, 0.0029299/step Wall: 12805.9, 0.0029299/step, 0.561239 hours remaining, 208.500000 MB of memory in use. ENERGY: 4310400 750.0729 2109.0109 1939.1882 106.4101 -206371.1579 18088.9889 0.0000 0.0000 34160.4718 -149217.0150 298.3319 -183377.4869 -149115.6576 298.7259 124.9730 152.3224 556957.7960 -8.5268 -8.4006 PRESSURE: 4310600 -17.8444 -37.5067 -62.3354 -37.5082 99.0024 14.1 -62.3349 14.1003 259.939 GPRESSURE: 4310600 31.1576 -104.912 -39.6214 20.4975 102.732 -87.2326 -108.779 155.41 299.62 PRESSAVG: 4310600 29.4179 10.4648 -19.0725 10.4648 38.5978 -20.3984 -19.0725 -20.3984 -43.6686 GPRESSAVG: 4310600 29.4672 12.0214 -19.9298 8.61066 38.2311 -19.749 -19.1646 -21.5486 -43.4123 TIMING: 4310600 CPU: 12806.5, 0.00293725/step Wall: 12806.5, 0.00293725/step, 0.562484 hours remaining, 208.500000 MB of memory in use. ENERGY: 4310600 715.8775 2096.1329 1953.9357 127.5424 -206146.6820 17931.8664 0.0000 0.0000 34259.6301 -149061.6972 299.1979 -183321.3272 -148974.6120 299.5904 113.6990 144.5030 557534.1061 8.1157 8.0953 PRESSURE: 4310800 140.094 -137.293 140.024 -137.293 5.8639 8.18135 140.025 8.18144 -47.6362 GPRESSURE: 4310800 181.642 -97.5321 172.031 -149.442 39.6984 -43.934 69.7622 29.804 -17.5794 PRESSAVG: 4310800 8.81861 -64.0371 -16.5237 -64.0372 -106.1 34.9931 -16.5238 34.9932 72.3251 GPRESSAVG: 4310800 8.31229 -67.7916 -16.0759 -62.1162 -104.981 33.7207 -17.0515 36.2269 71.6934 TIMING: 4310800 CPU: 12807.1, 0.00294679/step Wall: 12807.1, 0.00294679/step, 0.564147 hours remaining, 208.500000 MB of memory in use. ENERGY: 4310800 777.5857 2069.0132 1926.3431 108.2839 -206070.7256 17805.2274 0.0000 0.0000 34419.6493 -148964.6230 300.5954 -183384.2723 -148867.1709 299.9729 32.7740 67.9204 556666.0160 -8.3189 -8.3250 PRESSURE: 4311000 -227.545 90.1604 -82.312 90.1594 140.727 132.216 -82.3122 132.216 -75.2818 GPRESSURE: 4311000 -174.224 80.2224 -137.525 121.879 216.43 183.798 -13.1805 112.66 -112.006 PRESSAVG: 4311000 -11.8547 -4.4744 7.45502 -4.47446 41.7995 28.1604 7.45501 28.1603 -21.944 GPRESSAVG: 4311000 -10.5036 -1.15869 8.05775 -5.43926 39.793 30.0707 8.12451 26.1889 -21.2827 TIMING: 4311000 CPU: 12807.7, 0.00292402/step Wall: 12807.7, 0.00292402/step, 0.559625 hours remaining, 208.500000 MB of memory in use. ENERGY: 4311000 714.7947 2119.8307 1907.1409 112.0222 -205954.8555 17569.2478 0.0000 0.0000 34388.1203 -149143.6989 300.3200 -183531.8192 -149044.4955 300.1753 -54.0334 -23.2664 557124.2775 2.6669 2.6689 PRESSURE: 4311200 -23.6739 -59.5757 -64.9378 -59.5752 32.8319 -49.6047 -64.9381 -49.6042 -116.856 GPRESSURE: 4311200 33.966 -96.473 -19.623 -92.4764 26.119 -75.6684 -170.326 41.504 -66.9227 PRESSAVG: 4311200 -30.8538 -17.7687 32.6889 -17.7687 41.0989 26.4771 32.6888 26.477 49.3681 GPRESSAVG: 4311200 -31.8224 -17.8972 30.8036 -18.0986 41.4994 26.0415 33.1396 27.5219 49.5265 TIMING: 4311200 CPU: 12808.3, 0.00297013/step Wall: 12808.3, 0.00297013/step, 0.568284 hours remaining, 208.500000 MB of memory in use. ENERGY: 4311200 745.5380 2130.3539 1933.0528 108.3709 -206265.1372 17734.0518 0.0000 0.0000 34416.3837 -149197.3861 300.5668 -183613.7698 -149101.1362 300.0206 -35.8994 -2.2792 557051.7114 19.8711 19.7345 PRESSURE: 4311400 -70.0926 167.979 -70.7014 167.978 18.9753 39.6006 -70.6998 39.6022 -221.071 GPRESSURE: 4311400 -55.7182 122.809 13.9374 185.44 90.4347 -11.2208 -102.83 107.326 -211.243 PRESSAVG: 4311400 10.4048 -30.2151 17.7556 -30.2152 12.7945 38.2995 17.7555 38.2994 -33.4476 GPRESSAVG: 4311400 10.0452 -30.9975 19.4214 -30.621 13.6639 35.241 19.4407 38.2614 -34.7138 TIMING: 4311400 CPU: 12808.9, 0.00293549/step Wall: 12808.9, 0.00293549/step, 0.561494 hours remaining, 208.500000 MB of memory in use. ENERGY: 4311400 709.7379 2101.3026 1936.2622 120.8453 -206069.4960 17726.3025 0.0000 0.0000 34167.7837 -149307.2618 298.3958 -183475.0455 -149211.6264 299.4891 -90.7296 -58.8420 558669.9367 -3.4161 -3.6683 PRESSURE: 4311600 -7.49972 -75.2544 -50.8475 -75.2534 -62.3394 -5.07405 -50.8472 -5.07478 -30.0176 GPRESSURE: 4311600 -13.1813 -11.8684 -88.9892 -80.5905 1.93741 -48.1338 -71.3994 66.5855 12.2724 PRESSAVG: 4311600 -51.6022 21.9927 -85.7231 21.9926 85.8725 9.45824 -85.7231 9.45823 -66.9866 GPRESSAVG: 4311600 -51.9104 22.1152 -85.6763 20.4141 85.4175 10.1684 -86.8521 8.22968 -65.8217 TIMING: 4311600 CPU: 12809.5, 0.00297198/step Wall: 12809.5, 0.00297198/step, 0.568309 hours remaining, 208.500000 MB of memory in use. ENERGY: 4311600 728.7682 2094.2584 1934.6863 119.0425 -206132.8035 17750.4674 0.0000 0.0000 34289.6739 -149215.9068 299.4603 -183505.5808 -149116.2277 298.6381 -33.2855 0.3428 557599.6227 -10.9054 -10.7715 PRESSURE: 4311800 -159.746 253.397 209.828 253.396 -163.214 39.763 209.826 39.7644 -99.0663 GPRESSURE: 4311800 -174.316 314.551 217.948 186.55 -146.163 73.5511 155.75 17.5946 -8.73879 PRESSAVG: 4311800 -55.1216 -2.814 10.6443 -2.81397 41.8842 -10.5392 10.6443 -10.5391 -5.36544 GPRESSAVG: 4311800 -54.962 -2.51342 12.0422 -0.593581 42.6841 -9.47251 9.64208 -7.63533 -6.22857 TIMING: 4311800 CPU: 12810.1, 0.00296028/step Wall: 12810.1, 0.00296028/step, 0.565907 hours remaining, 208.500000 MB of memory in use. ENERGY: 4311800 741.5836 2091.3931 1933.6602 113.0770 -206109.7079 17716.0963 0.0000 0.0000 34325.4577 -149188.4400 299.7728 -183513.8978 -149089.6433 299.7053 -140.6751 -109.7391 558763.8419 -6.2010 -6.1688 PRESSURE: 4312000 -137.338 -31.0475 1.41505 -31.0481 227.321 51.134 1.41461 51.1321 255.311 GPRESSURE: 4312000 -52.5756 -36.6153 -71.2385 -41.834 246.175 161.844 83.6758 -6.26772 251.564 PRESSAVG: 4312000 -78.795 -36.6047 7.53081 -36.6048 39.8015 52.051 7.53083 52.0509 63.9029 GPRESSAVG: 4312000 -77.7832 -36.6445 5.76183 -37.5351 38.4719 50.8503 8.8367 50.9505 63.816 TIMING: 4312000 CPU: 12810.6, 0.00293956/step Wall: 12810.6, 0.00293956/step, 0.561783 hours remaining, 208.500000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4312000 754.6523 2122.7658 1949.6249 126.2969 -206630.5376 18101.5023 0.0000 0.0000 34518.6155 -149057.0798 301.4597 -183575.6953 -148957.0342 299.2849 115.0980 148.3877 556806.8046 8.3031 8.1682 PRESSURE: 4312200 77.5195 -28.5215 88.5262 -28.5199 269.08 44.4564 88.5262 44.4559 187.509 GPRESSURE: 4312200 70.8015 -62.6845 113.956 45.2131 350.521 72.9944 41.1426 49.2646 226.288 PRESSAVG: 4312200 -22.7128 -31.0271 -14.336 -31.0271 70.0561 -26.5713 -14.3361 -26.5713 -4.14084 GPRESSAVG: 4312200 -23.834 -31.9038 -14.7123 -30.9377 71.3097 -24.4642 -14.0962 -27.8085 -4.54474 TIMING: 4312200 CPU: 12811.2, 0.00292783/step Wall: 12811.2, 0.00292783/step, 0.559378 hours remaining, 208.500000 MB of memory in use. ENERGY: 4312200 742.6995 2119.9463 1902.5794 134.2754 -206538.7581 18094.0352 0.0000 0.0000 34350.3612 -149194.8610 299.9902 -183545.2222 -149093.3721 299.2310 178.0359 215.8700 554554.4601 14.4008 14.3103 LDB: ============= START OF LOAD BALANCING ============== 12814.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12814.8 LDB: =============== DONE WITH MIGRATION ================ 12814.8 LDB: ============= START OF LOAD BALANCING ============== 12815.1 LDB: Largest compute 4802 load 0.021777 is 18.4% of average load 0.118262 LDB: Average compute 0.001733 is 1.5% of average load 0.118262 LDB: TIME 12815.1 LOAD: AVG 0.118262 MAX 0.197244 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.5 MB LDB: TIME 12815.1 LOAD: AVG 0.118262 MAX 0.197244 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.5 MB LDB: TIME 12815.1 LOAD: AVG 0.118262 MAX 0.197244 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.5 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12815.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12815.1 PRESSURE: 4312400 -4.07773 -17.0248 -112.01 -17.0242 117.594 21.3422 -112.01 21.3428 -0.251872 GPRESSURE: 4312400 68.3383 -103.494 -103.581 75.796 166.449 8.23647 -13.0748 29.8759 -38.6025 PRESSAVG: 4312400 -26.336 -48.644 -15.0735 -48.6441 51.9172 55.3635 -15.0735 55.3636 -29.0625 GPRESSAVG: 4312400 -26.8144 -48.7483 -14.2264 -49.6214 51.6386 54.3467 -15.537 56.8616 -28.4184 TIMING: 4312400 CPU: 12811.8, 0.00298509/step Wall: 12811.8, 0.00298509/step, 0.570153 hours remaining, 208.679688 MB of memory in use. ENERGY: 4312400 732.1392 2132.4089 1931.3583 107.5582 -206316.4411 17830.9121 0.0000 0.0000 34355.3268 -149226.7376 300.0336 -183582.0643 -149125.4380 299.7008 37.7549 65.3950 555017.3163 -1.1604 -1.1980 PRESSURE: 4312600 -119.865 -24.7063 -67.132 -24.7069 219.566 6.61634 -67.1331 6.61493 -139.493 GPRESSURE: 4312600 -110.204 7.35688 -95.243 -22.2113 288.885 1.22906 -135.67 -83.6171 -133.098 PRESSAVG: 4312600 -22.5449 -19.9146 -41.9613 -19.9147 87.3182 31.1587 -41.9612 31.1586 -47.1909 GPRESSAVG: 4312600 -22.8963 -18.0465 -42.3234 -20.7212 86.6655 31.6661 -41.4047 29.9179 -46.2199 TIMING: 4312600 CPU: 12812.4, 0.00292522/step Wall: 12812.4, 0.00292522/step, 0.558554 hours remaining, 208.875000 MB of memory in use. ENERGY: 4312600 758.0090 2089.6394 1949.0810 126.2295 -205968.6600 17700.2530 0.0000 0.0000 34119.0844 -149226.3637 297.9705 -183345.4482 -149131.7843 299.6590 -13.2639 15.1944 556854.6229 5.8608 5.8498 PRESSURE: 4312800 132.006 25.7338 46.9488 25.734 -39.2637 -39.5921 46.949 -39.5908 -159.443 GPRESSURE: 4312800 132.895 22.6221 70.3015 46.6328 -22.7544 -75.672 -30.0348 -9.6599 -83.5448 PRESSAVG: 4312800 -9.81161 -2.75471 -22.7433 -2.75478 95.1756 -36.3959 -22.7432 -36.396 -40.3173 GPRESSAVG: 4312800 -9.33418 -5.13081 -19.9082 0.566571 94.584 -37.7049 -26.9065 -36.2255 -41.0082 TIMING: 4312800 CPU: 12813, 0.00292185/step Wall: 12813, 0.00292185/step, 0.557748 hours remaining, 208.875000 MB of memory in use. ENERGY: 4312800 773.7315 2057.8478 1938.3167 108.3944 -206336.1284 17865.8083 0.0000 0.0000 34245.3107 -149346.7189 299.0728 -183592.0296 -149251.5454 299.1827 -22.2336 8.8653 556121.4562 15.0156 14.7472 PRESSURE: 4313000 -36.4367 88.5176 -23.5399 88.5183 5.55895 -62.8435 -23.5383 -62.8449 -9.31489 GPRESSURE: 4313000 2.64195 22.2364 25.2845 37.4777 -24.3618 -79.1434 -13.3533 17.7357 80.8058 PRESSAVG: 4313000 4.10759 -45.505 29.2204 -45.505 9.67318 -57.4456 29.2205 -57.4458 -12.7919 GPRESSAVG: 4313000 3.57033 -44.3267 27.5326 -46.3552 9.83302 -56.5769 31.2597 -55.8187 -11.978 TIMING: 4313000 CPU: 12813.6, 0.00295134/step Wall: 12813.6, 0.00295134/step, 0.563214 hours remaining, 208.875000 MB of memory in use. ENERGY: 4313000 719.7728 2068.1195 1939.0066 118.4634 -205999.9766 17764.5673 0.0000 0.0000 34116.7137 -149273.3332 297.9497 -183390.0469 -149181.4133 298.5568 -13.3975 19.6953 558344.8893 0.3296 0.4751 PRESSURE: 4313200 45.864 -177.367 -95.4473 -177.368 148.52 -94.3082 -95.4469 -94.3072 132.254 GPRESSURE: 4313200 98.5966 -76.7587 -17.6275 -221.007 127.299 -88.8669 -112.427 -90.3101 191.659 PRESSAVG: 4313200 11.0813 -7.71169 6.26009 -7.71165 17.1944 -33.5515 6.26008 -33.5516 -17.2313 GPRESSAVG: 4313200 10.4849 -7.0768 5.05918 -9.22512 17.1254 -32.4129 7.56064 -32.7739 -16.1944 TIMING: 4313200 CPU: 12814.2, 0.00294289/step Wall: 12814.2, 0.00294289/step, 0.561437 hours remaining, 208.875000 MB of memory in use. ENERGY: 4313200 745.4977 2089.2418 1920.7119 108.2445 -206485.5069 18053.3025 0.0000 0.0000 34444.7966 -149123.7118 300.8150 -183568.5084 -149030.2008 299.1711 108.8793 139.1848 557422.2604 3.6815 3.8053 PRESSURE: 4313400 -155.269 170.766 117.27 170.767 66.353 128.84 117.267 128.84 -87.5396 GPRESSURE: 4313400 -101.53 130.158 70.6654 195.188 89.067 146.443 155.693 103.872 -44.3681 PRESSAVG: 4313400 10.7003 0.0542442 46.8549 0.0542674 19.4803 19.2564 46.8548 19.2563 12.2325 GPRESSAVG: 4313400 11.431 -3.18245 48.0374 2.35809 20.0144 19.8111 46.6656 16.4412 11.2272 TIMING: 4313400 CPU: 12814.8, 0.00295389/step Wall: 12814.8, 0.00295389/step, 0.563373 hours remaining, 208.875000 MB of memory in use. ENERGY: 4313400 771.5373 2078.1158 1941.7313 98.7578 -206405.5169 17980.1473 0.0000 0.0000 34442.5946 -149092.6326 300.7957 -183535.2273 -148998.4888 299.8432 -58.8185 -18.9438 555730.6575 14.1377 14.2242 PRESSURE: 4313600 -118.228 95.4256 -106.741 95.4253 -44.5812 45.3331 -106.742 45.3348 123.199 GPRESSURE: 4313600 -45.9447 86.8177 -102.592 164.058 -32.1973 34.4268 -283.49 18.3997 127.934 PRESSAVG: 4313600 -12.7379 -27.8186 -7.05265 -27.8186 -21.0597 12.3186 -7.05264 12.3187 22.6986 GPRESSAVG: 4313600 -12.1618 -26.553 -7.44786 -28.5909 -21.5217 10.4835 -6.66284 13.1752 22.6458 TIMING: 4313600 CPU: 12815.4, 0.00295811/step Wall: 12815.4, 0.00295811/step, 0.564013 hours remaining, 208.875000 MB of memory in use. ENERGY: 4313600 750.3615 2060.3854 1941.6685 107.6567 -206007.8434 17843.1656 0.0000 0.0000 34149.8437 -149154.7620 298.2391 -183304.6057 -149055.6120 299.1926 -13.2031 16.5975 558806.9901 -3.6997 -3.6792 PRESSURE: 4313800 4.32022 -119.005 -117.872 -119.006 -163.154 47.6746 -117.872 47.6735 -111.36 GPRESSURE: 4313800 56.0416 -103.692 -52.0292 -102.784 -155.358 58.8696 -103.724 -1.82062 -76.3431 PRESSAVG: 4313800 -43.7652 -11.7371 -44.8997 -11.7371 -21.4374 -4.79355 -44.8998 -4.79351 40.1165 GPRESSAVG: 4313800 -45.3496 -8.92442 -44.0281 -10.5775 -20.1859 -3.12313 -45.2913 -7.31594 40.2477 TIMING: 4313800 CPU: 12815.9, 0.00295619/step Wall: 12815.9, 0.00295618/step, 0.563482 hours remaining, 208.875000 MB of memory in use. ENERGY: 4313800 745.8536 2115.7677 1951.0563 99.1337 -206327.9412 17843.2086 0.0000 0.0000 34403.7888 -149169.1325 300.4568 -183572.9213 -149069.0353 299.3278 -90.0646 -58.5531 559532.4598 -8.3620 -8.4292 PRESSURE: 4314000 123.379 199.811 27.2881 199.811 -215.279 -1.23137 27.2888 -1.23254 57.7891 GPRESSURE: 4314000 101.235 167.649 0.683626 160.397 -130.812 3.62897 37.2529 44.1396 91.2267 PRESSAVG: 4314000 97.9402 -51.0666 9.1442 -51.0666 -13.8684 -8.53939 9.14421 -8.5395 -30.8755 GPRESSAVG: 4314000 98.341 -53.2925 7.19356 -53.1072 -13.5578 -10.6472 10.4423 -5.16621 -31.0255 TIMING: 4314000 CPU: 12816.5, 0.00297826/step Wall: 12816.5, 0.00297826/step, 0.567524 hours remaining, 208.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4314000 740.9316 2058.7034 1955.4827 126.1945 -206085.1082 17860.6137 0.0000 0.0000 34204.8798 -149138.3024 298.7197 -183343.1822 -149038.4611 299.4854 -11.3702 20.5500 558770.7645 17.7321 17.9193 PRESSURE: 4314200 60.398 -8.23819 117.966 -8.23795 -99.8984 2.38797 117.967 2.38981 -132.147 GPRESSURE: 4314200 125.762 14.8885 131.092 -0.351788 -36.5814 18.6085 147.964 93.5218 -148.28 PRESSAVG: 4314200 93.9076 -15.8487 71.5895 -15.8487 -52.5221 17.044 71.5896 17.0441 -55.2529 GPRESSAVG: 4314200 95.4396 -15.9872 73.9295 -13.7284 -52.9869 18.4508 71.3054 15.8937 -55.8686 TIMING: 4314200 CPU: 12817.1, 0.0029589/step Wall: 12817.1, 0.0029589/step, 0.563671 hours remaining, 208.875000 MB of memory in use. ENERGY: 4314200 759.6676 2093.6589 1953.6153 124.7803 -206383.0791 17881.2562 0.0000 0.0000 34344.1266 -149225.9742 299.9358 -183570.1009 -149129.2944 299.2904 -57.2157 -19.6998 557658.6413 -4.6225 -4.4720 PRESSURE: 4314400 -18.5129 132.248 -167.506 132.248 -148.417 -134.818 -167.505 -134.817 21.5141 GPRESSURE: 4314400 50.7955 164.584 -116.514 122.383 -69.0462 -129.216 -184.962 -93.4185 -21.6529 PRESSAVG: 4314400 72.2 -2.27784 13.9673 -2.2778 -33.9039 -66.8565 13.9673 -66.8563 -46.0858 GPRESSAVG: 4314400 71.2291 1.59034 13.162 -5.52692 -34.5315 -65.6407 14.8537 -66.8824 -45.0366 TIMING: 4314400 CPU: 12817.7, 0.00294988/step Wall: 12817.7, 0.00294988/step, 0.561788 hours remaining, 208.875000 MB of memory in use. ENERGY: 4314400 737.1659 2104.6313 1933.3581 117.9368 -205722.5268 17470.5156 0.0000 0.0000 34145.7756 -149213.1435 298.2036 -183358.9191 -149118.8324 299.8027 -48.4718 -13.3012 556608.3878 -2.5966 -2.7797 PRESSURE: 4314600 -11.9782 -108.121 144.952 -108.122 48.3976 -48.4426 144.952 -48.4446 -258.214 GPRESSURE: 4314600 -26.7628 -171.269 146.028 -19.7784 105.26 -90.9444 104.256 -0.133934 -202.945 PRESSAVG: 4314600 88.4503 17.1713 -37.5402 17.1713 3.66585 -70.1326 -37.5402 -70.1325 -85.2354 GPRESSAVG: 4314600 87.2953 13.4048 -37.6606 18.1642 4.26225 -71.298 -39.3061 -69.8187 -85.1596 TIMING: 4314600 CPU: 12818.3, 0.00293743/step Wall: 12818.3, 0.00293743/step, 0.559255 hours remaining, 208.875000 MB of memory in use. ENERGY: 4314600 752.2495 2123.3522 1935.9756 118.9386 -205732.3207 17618.2154 0.0000 0.0000 34110.4266 -149073.1628 297.8948 -183183.5894 -148981.4519 300.1260 -73.9317 -41.4824 557147.0853 2.2936 2.1326 PRESSURE: 4314800 -73.7973 137.395 -55.2158 137.395 -204.699 18.9578 -55.217 18.9578 -243.523 GPRESSURE: 4314800 -42.1309 157.773 -82.2989 139.043 -154.826 7.65984 -106.691 30.6383 -227.252 PRESSAVG: 4314800 69.5689 29.4795 -22.1427 29.4794 27.8539 -31.5574 -22.1428 -31.5574 -104.364 GPRESSAVG: 4314800 69.9241 31.3848 -23.8799 31.2354 27.143 -29.5439 -20.2246 -33.4105 -103.957 TIMING: 4314800 CPU: 12818.9, 0.00291519/step Wall: 12818.9, 0.00291519/step, 0.554859 hours remaining, 209.132812 MB of memory in use. ENERGY: 4314800 737.3321 2039.1252 1952.4492 111.4197 -205985.0946 17596.5438 0.0000 0.0000 34391.5078 -149156.7167 300.3496 -183548.2245 -149057.5077 300.1343 -174.0067 -141.4030 556917.7309 -2.3137 -2.2965 PRESSURE: 4315000 -29.4918 -33.5342 20.0574 -33.5334 152.613 -152.245 20.0587 -152.245 -82.2843 GPRESSURE: 4315000 5.15383 -27.7934 74.3349 -76.6519 197.648 -138.571 -13.0223 -100.055 -75.1991 PRESSAVG: 4315000 -2.58321 19.803 -4.80335 19.8029 45.8662 -87.7675 -4.80326 -87.7676 -5.61785 GPRESSAVG: 4315000 -2.20769 19.3828 -2.1278 17.6199 45.8306 -90.1062 -5.93812 -86.3133 -6.10019 TIMING: 4315000 CPU: 12819.5, 0.00290797/step Wall: 12819.5, 0.00290797/step, 0.553322 hours remaining, 209.132812 MB of memory in use. ENERGY: 4315000 751.9498 2049.6435 1940.9605 105.3625 -206399.2101 17878.8434 0.0000 0.0000 34557.7848 -149114.6656 301.8017 -183672.4504 -149010.2550 299.4306 13.6124 42.5343 556889.2657 12.5550 12.5076 PRESSURE: 4315200 -122.582 18.3478 -89.1752 18.347 -411.941 69.1271 -89.1761 69.1277 -9.38195 GPRESSURE: 4315200 -113.741 58.1531 -99.1429 -55.297 -327.364 84.9334 -61.0642 17.4479 -15.2292 PRESSAVG: 4315200 -39.1308 -44.7698 -12.2944 -44.7699 50.3498 -11.5679 -12.2943 -11.568 36.8799 GPRESSAVG: 4315200 -39.5304 -45.9399 -13.9403 -43.4158 51.1624 -12.7293 -12.6717 -11.815 36.4638 TIMING: 4315200 CPU: 12820.1, 0.00292363/step Wall: 12820.1, 0.00292363/step, 0.55614 hours remaining, 209.132812 MB of memory in use. ENERGY: 4315200 791.0406 2070.6488 1938.7608 118.0245 -205770.6442 17636.0245 0.0000 0.0000 34270.0615 -148946.0833 299.2890 -183216.1449 -148846.9591 300.1086 -181.3017 -152.1117 558914.2721 16.0329 16.0319 PRESSURE: 4315400 -65.2342 40.7419 -151 40.7406 -91.4958 48.851 -151 48.8519 257.576 GPRESSURE: 4315400 24.904 39.4337 -79.5062 5.38528 -106.301 105.333 -177.854 10.9224 288.015 PRESSAVG: 4315400 71.8262 4.13206 -26.9551 4.13197 -43.3975 -2.04774 -26.9551 -2.04768 -32.8471 GPRESSAVG: 4315400 71.5953 4.02496 -25.8861 5.30585 -44.1198 -0.611041 -26.2325 -1.49213 -32.1684 TIMING: 4315400 CPU: 12820.6, 0.00293296/step Wall: 12820.6, 0.00293296/step, 0.557751 hours remaining, 209.132812 MB of memory in use. ENERGY: 4315400 760.2732 2065.6959 1942.0695 99.5274 -206431.1222 18028.2598 0.0000 0.0000 34417.1914 -149118.1050 300.5739 -183535.2964 -149020.1206 299.6242 33.6154 68.8727 557882.7980 -1.4728 -1.5643 PRESSURE: 4315600 -451.513 -94.7086 -17.0986 -94.7083 -75.8285 -63.6051 -17.0992 -63.6059 -178.779 GPRESSURE: 4315600 -392.365 -65.0544 23.5897 -77.7368 -9.18432 52.4448 -16.9945 -71.6724 -214.879 PRESSAVG: 4315600 25.1775 -38.9613 1.95938 -38.9613 -3.98421 48.8001 1.95937 48.8 -27.6052 GPRESSAVG: 4315600 25.4268 -38.722 2.25944 -41.2078 -3.95408 48.7841 2.24891 47.7411 -27.4971 TIMING: 4315600 CPU: 12821.2, 0.00292776/step Wall: 12821.2, 0.00292776/step, 0.556599 hours remaining, 209.132812 MB of memory in use. ENERGY: 4315600 726.4167 2144.8652 1896.8027 111.0464 -205644.2744 17390.5994 0.0000 0.0000 34245.8333 -149128.7107 299.0774 -183374.5441 -149032.6460 299.8105 -235.3734 -205.4760 558366.0073 -2.1373 -2.0081 PRESSURE: 4315800 128.124 10.1271 83.1974 10.1275 225.166 113.574 83.1981 113.573 110.085 GPRESSURE: 4315800 126.349 91.8554 -1.77779 -29.611 280.189 44.0871 128.763 184.139 152.816 PRESSAVG: 4315800 -40.8156 -41.9352 -1.0719 -41.9351 18.6003 53.1221 -1.07172 53.122 34.4358 GPRESSAVG: 4315800 -41.6774 -40.3656 -1.77707 -41.176 20.3339 53.1892 -1.41382 53.1488 33.913 TIMING: 4315800 CPU: 12821.8, 0.00291854/step Wall: 12821.8, 0.00291854/step, 0.554686 hours remaining, 209.132812 MB of memory in use. ENERGY: 4315800 727.5784 2072.9661 1944.1700 118.0806 -206264.3310 17971.0104 0.0000 0.0000 34235.3330 -149195.1925 298.9857 -183430.5256 -149093.5966 299.2376 154.4580 186.4514 557007.6578 4.0735 4.1898 PRESSURE: 4316000 129.648 7.7691 99.4104 7.76906 2.16506 -153.807 99.4096 -153.808 261.088 GPRESSURE: 4316000 130.307 22.5681 -30.091 -36.5004 13.4625 -117.653 -3.6488 -172.774 354.426 PRESSAVG: 4316000 54.5255 -36.2892 35.8103 -36.2892 -34.8854 33.9161 35.8103 33.9161 7.69531 GPRESSAVG: 4316000 55.5121 -36.809 34.4927 -37.4852 -36.7659 34.1359 34.0945 34.3335 8.67108 TIMING: 4316000 CPU: 12822.4, 0.0029289/step Wall: 12822.4, 0.0029289/step, 0.55649 hours remaining, 209.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4316000 760.4989 2063.7060 1956.7922 109.0655 -206669.2004 18223.8556 0.0000 0.0000 34323.7272 -149231.5550 299.7576 -183555.2821 -149131.7867 299.6278 130.9672 166.0654 557371.2492 9.1118 9.1391 PRESSURE: 4316200 -97.0864 -86.1607 32.7829 -86.1608 350.422 168.126 32.7838 168.126 -100.135 GPRESSURE: 4316200 -4.61695 -141.17 37.9778 40.451 338.006 208.001 2.68988 105.067 -83.8219 PRESSAVG: 4316200 -10.4702 47.8407 11.5838 47.8408 -37.1097 4.91917 11.5839 4.91933 30.7067 GPRESSAVG: 4316200 -10.1425 47.5644 10.9402 48.2007 -36.3786 4.30745 12.4861 5.24781 30.3366 TIMING: 4316200 CPU: 12823, 0.00293104/step Wall: 12823, 0.00293104/step, 0.556735 hours remaining, 209.132812 MB of memory in use. ENERGY: 4316200 709.5326 2132.6946 1918.6535 112.1346 -206456.7034 18017.7459 0.0000 0.0000 34306.2621 -149259.6802 299.6051 -183565.9423 -149156.8736 299.7700 51.0671 83.1892 558109.5544 -5.6244 -5.3948 LDB: ============= START OF LOAD BALANCING ============== 12826.5 LDB: ============== END OF LOAD BALANCING =============== 12826.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12826.5 LDB: ============= START OF LOAD BALANCING ============== 12826.8 LDB: Largest compute 4801 load 0.022597 is 19.1% of average load 0.118321 LDB: Average compute 0.001731 is 1.5% of average load 0.118321 LDB: TIME 12826.8 LOAD: AVG 0.118321 MAX 0.196038 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.062 MB LDB: TIME 12826.8 LOAD: AVG 0.118321 MAX 0.196038 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.262 MB LDB: TIME 12826.8 LOAD: AVG 0.118321 MAX 0.196038 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.262 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12826.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12826.8 PRESSURE: 4316400 30.434 -3.06406 16.2435 -3.06458 -169.176 140.168 16.2442 140.168 -98.4205 GPRESSURE: 4316400 30.2428 33.4023 -4.7483 30.9108 -127.407 150.433 -7.08066 42.8915 -47.7294 PRESSAVG: 4316400 -37.7288 -65.9142 63.7983 -65.9142 11.2915 -0.14321 63.7983 -0.143347 -17.2351 GPRESSAVG: 4316400 -38.139 -66.4506 66.3276 -63.3725 10.8909 0.101339 61.9206 -0.881752 -16.3425 TIMING: 4316400 CPU: 12823.6, 0.0029864/step Wall: 12823.6, 0.0029864/step, 0.567084 hours remaining, 208.808594 MB of memory in use. ENERGY: 4316400 742.4271 2083.7625 1931.0836 121.1410 -206402.9874 17840.8645 0.0000 0.0000 34343.2320 -149340.4767 299.9280 -183683.7087 -149248.1210 298.6051 -79.0543 -48.2979 558935.7158 -14.5575 -14.5302 PRESSURE: 4316600 -140.14 91.0844 30.0708 91.0839 97.5676 -220.676 30.0725 -220.675 -303.636 GPRESSURE: 4316600 -130.565 38.6184 -7.00554 89.1505 134.207 -283.079 53.1033 -226.976 -264.34 PRESSAVG: 4316600 40.3587 -35.221 6.53666 -35.221 14.9565 8.06613 6.53666 8.06615 -12.6765 GPRESSAVG: 4316600 38.963 -36.882 5.656 -38.0647 15.4117 8.36042 8.03593 7.78079 -11.299 TIMING: 4316600 CPU: 12824.2, 0.00292673/step Wall: 12824.2, 0.00292673/step, 0.555591 hours remaining, 208.808594 MB of memory in use. ENERGY: 4316600 748.0458 2083.8309 1946.1967 122.7551 -206187.0901 17746.4015 0.0000 0.0000 34018.6382 -149521.2219 297.0932 -183539.8601 -149430.1148 298.8446 -115.4029 -86.8992 559145.7889 14.2129 14.3586 PRESSURE: 4316800 -222.56 18.4113 -95.3054 18.4114 75.9842 27.4069 -95.3053 27.4062 43.9948 GPRESSURE: 4316800 -174.558 35.4908 -35.6552 38.6909 63.3375 5.37667 -48.9105 -20.0263 111.57 PRESSAVG: 4316800 7.45393 -17.3667 6.32586 -17.3667 4.44168 -32.2202 6.32591 -32.2202 -34.9309 GPRESSAVG: 4316800 8.7845 -14.1377 5.6811 -15.3269 5.57741 -33.7382 7.6495 -31.7079 -37.552 TIMING: 4316800 CPU: 12824.8, 0.0029495/step Wall: 12824.8, 0.0029495/step, 0.559749 hours remaining, 208.808594 MB of memory in use. ENERGY: 4316800 767.5017 2085.7975 1928.4273 114.1899 -206689.1212 17940.0106 0.0000 0.0000 34388.3025 -149464.8918 300.3216 -183853.1943 -149379.6435 298.3006 -34.1936 0.1164 558114.4337 -7.6784 -7.7300 PRESSURE: 4317000 -43.0095 -1.72243 -14.8172 -1.7235 -30.0458 27.7085 -14.8183 27.7086 -107.965 GPRESSURE: 4317000 -13.67 24.8928 54.9416 -62.6414 -30.3657 43.7372 -66.1282 -16.5246 -40.0054 PRESSAVG: 4317000 -22.7071 -55.7323 2.89373 -55.7323 38.224 -0.858183 2.89373 -0.858231 -20.9991 GPRESSAVG: 4317000 -22.956 -55.1537 0.47369 -58.6824 37.4992 0.00201026 2.9527 0.834614 -20.3948 TIMING: 4317000 CPU: 12825.4, 0.00296204/step Wall: 12825.4, 0.00296204/step, 0.561965 hours remaining, 208.808594 MB of memory in use. ENERGY: 4317000 728.9434 2039.0021 1920.4889 107.1188 -206227.6631 17935.7532 0.0000 0.0000 34051.1034 -149445.2533 297.3768 -183496.3567 -149346.0082 298.1952 -60.3402 -28.0137 560121.8790 -1.8274 -1.9506 PRESSURE: 4317200 -300.387 -9.19109 131.306 -9.19251 -8.23176 -213.981 131.306 -213.981 -134.349 GPRESSURE: 4317200 -231.338 -5.62997 173.942 -73.784 -27.5659 -204.756 114.755 -173.07 -96.2165 PRESSAVG: 4317200 -45.6626 -48.9692 58.6835 -48.9692 30.7262 -16.8768 58.6835 -16.8768 -1.52444 GPRESSAVG: 4317200 -45.6909 -50.9803 60.0461 -45.8392 31.5712 -18.3532 59.0074 -17.3779 -2.41352 TIMING: 4317200 CPU: 12825.9, 0.00294468/step Wall: 12825.9, 0.00294468/step, 0.558507 hours remaining, 208.878906 MB of memory in use. ENERGY: 4317200 762.7554 2105.1972 1955.2800 111.1824 -206276.4168 17662.0925 0.0000 0.0000 34423.6201 -149256.2891 300.6300 -183679.9092 -149158.5498 298.6546 -147.6561 -118.3735 557555.0799 -5.4869 -5.5111 PRESSURE: 4317400 -140.119 85.4622 -62.119 85.4618 209.977 150.64 -62.1189 150.643 -152.401 GPRESSURE: 4317400 -67.9935 25.8241 -32.8923 62.7275 162.188 88.7814 -61.8262 212.414 -79.617 PRESSAVG: 4317400 48.8603 -12.612 10.0847 -12.6121 21.3084 -4.47763 10.0848 -4.47768 -24.2647 GPRESSAVG: 4317400 49.1265 -10.0569 12.4369 -14.5557 20.151 -5.46291 7.51374 -4.82839 -23.9756 TIMING: 4317400 CPU: 12826.5, 0.00295917/step Wall: 12826.5, 0.00295918/step, 0.561093 hours remaining, 208.878906 MB of memory in use. ENERGY: 4317400 756.6861 2105.9798 1933.6255 100.8953 -206340.5408 17797.5287 0.0000 0.0000 34234.8316 -149410.9936 298.9813 -183645.8252 -149316.9101 299.7037 -27.5146 4.8591 558735.7193 15.3013 15.1006 PRESSURE: 4317600 10.742 -50.5866 48.3344 -50.5877 -276.637 170.718 48.3349 170.716 -13.6201 GPRESSURE: 4317600 119.856 -80.5896 60.4571 -73.2724 -296.469 233.759 20.0088 52.6399 -5.01223 PRESSAVG: 4317600 25.603 44.2843 -10.6844 44.2842 -38.8872 44.2272 -10.6844 44.2272 -5.59404 GPRESSAVG: 4317600 24.5631 41.1422 -12.9995 42.7526 -38.687 45.3924 -9.21196 43.7836 -5.46963 TIMING: 4317600 CPU: 12827.1, 0.00294326/step Wall: 12827.1, 0.00294326/step, 0.557911 hours remaining, 208.878906 MB of memory in use. ENERGY: 4317600 783.5471 2123.4278 1929.8288 106.9181 -206437.4528 17858.5082 0.0000 0.0000 34307.4855 -149327.7373 299.6158 -183635.2228 -149229.7606 299.1220 -93.1717 -60.5419 559175.2534 -6.2927 -6.5312 PRESSURE: 4317800 -37.4976 -113.721 -40.3574 -113.721 -46.0314 -8.28961 -40.3563 -8.28995 122.52 GPRESSURE: 4317800 5.83148 -133.805 -36.3504 -84.95 15.5465 98.3011 -131.331 -63.0688 116.966 PRESSAVG: 4317800 57.3487 30.4296 -20.2068 30.4296 -42.7874 -10.4809 -20.2067 -10.4807 22.8915 GPRESSAVG: 4317800 57.7401 32.9046 -19.4503 32.2416 -42.7843 -9.91036 -18.9579 -10.9254 22.5613 TIMING: 4317800 CPU: 12827.7, 0.00293029/step Wall: 12827.7, 0.00293029/step, 0.555291 hours remaining, 208.878906 MB of memory in use. ENERGY: 4317800 757.1318 2109.3481 1911.5310 111.1489 -206042.2635 17907.6538 0.0000 0.0000 34047.4856 -149197.9642 297.3452 -183245.4498 -149102.7754 299.4801 12.9969 46.1146 558501.6032 12.4843 12.5057 PRESSURE: 4318000 8.33105 79.4614 69.3913 79.461 -308.754 107.784 69.3914 107.784 -254.326 GPRESSURE: 4318000 68.3239 16.1518 12.9984 131.076 -326.335 169.126 15.3984 96.7041 -192.015 PRESSAVG: 4318000 105.348 -46.8457 9.41065 -46.8457 -41.55 26.5915 9.41068 26.5915 -58.9011 GPRESSAVG: 4318000 105.018 -48.7264 9.82686 -44.7491 -42.6132 27.1194 7.29399 25.5326 -57.6329 TIMING: 4318000 CPU: 12828.3, 0.00292625/step Wall: 12828.3, 0.00292625/step, 0.554362 hours remaining, 208.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4318000 771.1413 2062.3716 1923.9675 124.3580 -205931.4528 17712.5197 0.0000 0.0000 34141.5412 -149195.5535 298.1666 -183337.0947 -149102.6218 299.4816 -184.9166 -150.0089 558406.6860 1.6322 1.5907 PRESSURE: 4318200 -93.155 150.952 -54.5534 150.952 -95.1175 -38.7992 -54.5536 -38.7984 -148.121 GPRESSURE: 4318200 -99.99 105.361 -2.38113 93.7998 -11.2827 -27.3505 -110.999 -105.467 -124.717 PRESSAVG: 4318200 24.226 7.98646 -37.5635 7.98641 29.468 38.7359 -37.5635 38.7359 -18.6106 GPRESSAVG: 4318200 23.6005 9.10276 -38.6288 7.53601 30.991 37.1125 -34.6327 39.294 -19.1578 TIMING: 4318200 CPU: 12828.9, 0.00294764/step Wall: 12828.9, 0.00294764/step, 0.558249 hours remaining, 208.878906 MB of memory in use. ENERGY: 4318200 745.0649 2036.0026 1927.6914 114.0604 -206128.0690 17551.9980 0.0000 0.0000 34385.4166 -149367.8352 300.2964 -183753.2518 -149271.9326 299.1833 -112.1313 -78.6634 557088.7491 11.6945 11.8112 PRESSURE: 4318400 10.3642 -84.6998 -120.087 -84.6995 151.195 -61.58 -120.088 -61.5807 -143.847 GPRESSURE: 4318400 44.6855 -39.5747 -205.08 -59.714 248.035 9.86023 -34.5162 -97.2184 -176.028 PRESSAVG: 4318400 31.4054 -11.5366 -6.63807 -11.5367 -48.9435 3.55932 -6.63807 3.55925 -46.2186 GPRESSAVG: 4318400 30.9254 -13.5747 -6.38045 -11.8181 -48.1174 5.42139 -6.81251 4.9485 -46.3455 TIMING: 4318400 CPU: 12829.5, 0.00291634/step Wall: 12829.5, 0.00291634/step, 0.55216 hours remaining, 208.878906 MB of memory in use. ENERGY: 4318400 752.0334 2045.3600 1923.6411 130.9791 -206634.4089 18071.6093 0.0000 0.0000 34443.6260 -149267.1600 300.8048 -183710.7860 -149170.4900 298.8419 5.9040 38.8975 556786.4041 -21.2522 -21.1792 PRESSURE: 4318600 -223.13 42.419 -106.385 42.4194 -119.463 -53.4763 -106.385 -53.4779 -42.0103 GPRESSURE: 4318600 -202.197 87.1383 -119.233 15.3894 -97.0561 -76.1671 -99.3038 -57.4602 23.8915 PRESSAVG: 4318600 69.6016 1.11069 -3.36865 1.11077 -49.8727 25.1063 -3.3686 25.1063 -21.8745 GPRESSAVG: 4318600 69.0048 1.69748 -2.92592 0.418689 -49.0361 23.2533 -5.11131 25.6451 -21.5855 TIMING: 4318600 CPU: 12830.1, 0.00292764/step Wall: 12830.1, 0.00292764/step, 0.554137 hours remaining, 208.878906 MB of memory in use. ENERGY: 4318600 761.2564 2129.7222 1957.3985 109.1395 -206284.7955 17736.2421 0.0000 0.0000 34455.5187 -149135.5181 300.9086 -183591.0368 -149045.4950 299.9679 -128.2010 -91.7871 558866.1602 -0.7152 -0.5389 PRESSURE: 4318800 -12.8114 -158.012 26.4981 -158.013 304.212 222.32 26.4988 222.321 108.846 GPRESSURE: 4318800 34.4415 -132.746 65.1932 -45.2495 339.096 181.637 56.6207 176.295 137.842 PRESSAVG: 4318800 -52.4602 -7.6104 41.0498 -7.61035 58.2246 -6.0576 41.0498 -6.05763 -20.5431 GPRESSAVG: 4318800 -51.814 -5.89597 40.9995 -8.78253 57.821 -4.3354 41.7874 -4.50123 -20.7375 TIMING: 4318800 CPU: 12830.6, 0.00292121/step Wall: 12830.6, 0.00292121/step, 0.552758 hours remaining, 208.878906 MB of memory in use. ENERGY: 4318800 754.0923 2113.5662 1922.1319 121.8416 -206643.2985 18224.9615 0.0000 0.0000 34347.1789 -149159.5261 299.9625 -183506.7050 -149074.5108 300.4506 133.4156 170.4596 557916.1986 -4.9262 -4.9102 PRESSURE: 4319000 -123.052 -25.5354 -52.7427 -25.5346 68.5346 -58.0156 -52.7424 -58.0165 52.8211 GPRESSURE: 4319000 -63.9284 -53.4874 -36.9087 -54.9681 93.6188 -172.117 -56.3573 9.94799 68.6265 PRESSAVG: 4319000 35.3669 -24.9089 -12.4322 -24.9089 -21.3366 -34.0523 -12.4322 -34.0523 9.82126 GPRESSAVG: 4319000 36.777 -26.4732 -14 -24.5484 -22.2725 -33.9181 -10.9372 -37.0807 9.48761 TIMING: 4319000 CPU: 12831.2, 0.00291445/step Wall: 12831.2, 0.00291445/step, 0.551318 hours remaining, 209.078125 MB of memory in use. ENERGY: 4319000 740.2858 2101.6451 1946.5224 108.2138 -206269.3400 17942.4716 0.0000 0.0000 34370.1865 -149060.0148 300.1634 -183430.2013 -148960.7687 299.2453 -0.5653 32.7723 557416.8073 7.9505 7.9973 PRESSURE: 4319200 -200.27 -40.8392 78.7262 -40.8389 -305.433 -65.4094 78.7257 -65.4111 -223.355 GPRESSURE: 4319200 -197.12 -35.8153 71.3504 -13.0109 -247.98 3.3991 95.0628 -152.758 -206.538 PRESSAVG: 4319200 3.0293 -11.5125 50.1003 -11.5124 42.4603 -7.20537 50.1003 -7.20541 -27.0646 GPRESSAVG: 4319200 1.91446 -13.6724 50.4369 -9.37335 43.6531 -7.37337 48.4598 -7.00472 -26.8632 TIMING: 4319200 CPU: 12831.8, 0.00293571/step Wall: 12831.8, 0.00293571/step, 0.555175 hours remaining, 209.078125 MB of memory in use. ENERGY: 4319200 756.2083 2085.6498 1937.8088 116.3019 -205547.8647 17421.2555 0.0000 0.0000 34026.7961 -149203.8443 297.1645 -183230.6404 -149109.1242 298.8901 -243.0194 -217.2125 557996.8728 6.1417 6.2348 PRESSURE: 4319400 -152.876 85.1678 82.4442 85.1683 -158.698 47.6978 82.4448 47.6961 -120.63 GPRESSURE: 4319400 -89.6972 50.7034 65.5191 60.4191 -139.369 59.6779 63.4156 20.9972 -114.045 PRESSAVG: 4319400 7.72512 -6.4109 0.781366 -6.41085 48.2386 -1.36614 0.781385 -1.36615 -40.1009 GPRESSAVG: 4319400 8.90593 -1.7493 0.964085 -8.07074 47.22 -1.97333 1.90346 -2.64345 -40.213 TIMING: 4319400 CPU: 12832.4, 0.00294589/step Wall: 12832.4, 0.00294589/step, 0.556938 hours remaining, 209.078125 MB of memory in use. ENERGY: 4319400 766.6635 2025.9076 1946.4701 97.2344 -205917.8553 17593.6863 0.0000 0.0000 34248.5581 -149239.3353 299.1012 -183487.8934 -149138.7970 299.1000 -144.0681 -114.3703 557197.0396 5.2876 5.3043 PRESSURE: 4319600 217.455 -117.55 -67.4951 -117.55 195.697 -72.9274 -67.4954 -72.9294 -117.132 GPRESSURE: 4319600 245.257 -148.492 -152.58 -107.009 203.097 -109.355 -15.5445 -66.4589 -56.6188 PRESSAVG: 4319600 84.8985 14.1258 -49.4412 14.1257 -73.3781 -49.0874 -49.4412 -49.0874 -31.2725 GPRESSAVG: 4319600 84.7384 13.1478 -47.4452 15.3925 -73.2881 -49.9616 -52.8551 -46.8449 -30.9329 TIMING: 4319600 CPU: 12833, 0.00295776/step Wall: 12833, 0.00295777/step, 0.559018 hours remaining, 209.078125 MB of memory in use. ENERGY: 4319600 745.4511 2082.7625 1921.9995 111.5440 -206424.1288 17929.0571 0.0000 0.0000 34387.2210 -149246.0936 300.3122 -183633.3145 -149148.6261 298.9413 98.6734 130.5783 557429.7322 -6.5840 -6.4942 PRESSURE: 4319800 -8.52841 3.17234 19.8035 3.17184 -316.015 173.855 19.8035 173.856 -163.861 GPRESSURE: 4319800 -14.6906 55.4474 -53.6461 24.4988 -227.947 98.2866 13.6598 212.762 -156.94 PRESSAVG: 4319800 26.0073 -40.5309 -4.80721 -40.531 13.9791 -21.5815 -4.80718 -21.5815 -16.8145 GPRESSAVG: 4319800 25.0989 -39.9114 -6.49785 -42.9433 14.8778 -19.7266 -3.94472 -24.5053 -17.2431 TIMING: 4319800 CPU: 12833.6, 0.00296516/step Wall: 12833.6, 0.00296516/step, 0.56025 hours remaining, 209.078125 MB of memory in use. ENERGY: 4319800 746.3740 2146.9750 1902.1169 100.4812 -206022.5317 17629.7126 0.0000 0.0000 34189.4616 -149307.4105 298.5851 -183496.8720 -149210.1676 299.3349 -162.8016 -133.1926 557769.2646 7.7240 7.5779 PRESSURE: 4320000 -48.4697 -81.1123 -3.61923 -81.1123 -172.077 19.3953 -3.61956 19.3966 15.0007 GPRESSURE: 4320000 -14.2349 -50.416 -30.08 -120.645 -150.655 7.89668 94.4859 -24.3579 42.6277 PRESSAVG: 4320000 -12.0151 -16.4975 52.5786 -16.4975 -12.8814 -1.95951 52.5786 -1.95959 24.9861 GPRESSAVG: 4320000 -12.2341 -17.6623 52.55 -14.4959 -14.0021 -5.08196 54.8747 -0.983627 25.8002 TIMING: 4320000 CPU: 12834.2, 0.00296471/step Wall: 12834.2, 0.00296471/step, 0.56 hours remaining, 209.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4320000 740.8288 2087.7906 1927.7726 116.3589 -206024.1649 17762.1148 0.0000 0.0000 34176.8745 -149212.4248 298.4751 -183389.2993 -149102.4723 299.2788 -68.5152 -40.7540 558578.1895 0.0298 -0.1453 PRESSURE: 4320200 235.068 52.8263 -17.8801 52.825 363.26 1.3131 -17.8796 1.31398 -27.4155 GPRESSURE: 4320200 219.301 89.9505 -7.63575 -102.537 415.894 55.0763 -25.5083 75.2377 35.9161 PRESSAVG: 4320200 3.88942 31.7187 42.3585 31.7187 -2.51762 -4.17291 42.3586 -4.17283 -9.56341 GPRESSAVG: 4320200 2.97851 31.0492 42.7834 31.4119 -0.715638 -3.09417 41.1937 -4.49038 -10.3895 TIMING: 4320200 CPU: 12834.8, 0.00297819/step Wall: 12834.8, 0.00297819/step, 0.562381 hours remaining, 209.078125 MB of memory in use. ENERGY: 4320200 749.5619 2092.0681 1927.9944 122.4945 -206624.2811 18239.9142 0.0000 0.0000 34280.0855 -149212.1624 299.3765 -183492.2479 -149117.9905 299.5363 190.3041 223.7038 556858.8668 -2.7305 -2.7089 LDB: ============= START OF LOAD BALANCING ============== 12838.3 LDB: ============== END OF LOAD BALANCING =============== 12838.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12838.3 LDB: ============= START OF LOAD BALANCING ============== 12838.6 LDB: Largest compute 4801 load 0.021920 is 18.5% of average load 0.118246 LDB: Average compute 0.001726 is 1.5% of average load 0.118246 LDB: TIME 12838.6 LOAD: AVG 0.118246 MAX 0.197062 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.926 MB LDB: TIME 12838.6 LOAD: AVG 0.118246 MAX 0.197062 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.93 MB LDB: TIME 12838.6 LOAD: AVG 0.118246 MAX 0.197062 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.93 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12838.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12838.6 PRESSURE: 4320400 -14.3451 -16.5015 -1.94789 -16.5014 147.619 11.5683 -1.94893 11.569 107.762 GPRESSURE: 4320400 -3.16463 -9.88161 -1.34532 21.6941 143.377 -18.8544 -45.6457 44.1209 187.629 PRESSAVG: 4320400 31.6858 -90.5322 -1.54137 -90.5322 8.921 -53.4556 -1.54135 -53.4555 -2.54846 GPRESSAVG: 4320400 32.201 -91.6061 -1.26996 -87.7266 8.09293 -51.2092 -0.728972 -52.9337 -2.22955 TIMING: 4320400 CPU: 12835.4, 0.00304124/step Wall: 12835.4, 0.00304124/step, 0.574119 hours remaining, 208.039062 MB of memory in use. ENERGY: 4320400 752.3230 2080.3215 1968.2340 102.5813 -206309.9962 17979.1798 0.0000 0.0000 34201.3874 -149225.9691 298.6892 -183427.3565 -149130.2477 299.1977 80.3452 109.2805 558243.4402 12.6861 12.6881 PRESSURE: 4320600 79.7279 28.923 -22.3552 28.9228 -49.3272 -68.2293 -22.3544 -68.2294 -116.013 GPRESSURE: 4320600 116.596 47.9171 -56.1474 101.612 -20.1939 -75.2907 -16.7127 -42.7518 -85.8594 PRESSAVG: 4320600 -32.4717 -8.67047 -2.55894 -8.67052 -7.40903 -21.5885 -2.55903 -21.5884 26.2175 GPRESSAVG: 4320600 -31.396 -7.84417 -3.90094 -10.0877 -8.27309 -22.4808 -2.92546 -19.9547 25.9014 TIMING: 4320600 CPU: 12836, 0.00294403/step Wall: 12836, 0.00294403/step, 0.555604 hours remaining, 208.039062 MB of memory in use. ENERGY: 4320600 746.4394 2146.7293 1963.7725 121.8898 -206221.7977 17896.7884 0.0000 0.0000 34083.8387 -149262.3396 297.6626 -183346.1784 -149165.3568 298.5419 -28.5376 3.5141 558520.3117 -4.5544 -4.5892 PRESSURE: 4320800 -85.411 245.038 -25.0448 245.039 -74.9052 -11.2537 -25.044 -11.2531 40.6108 GPRESSURE: 4320800 -61.3195 234.949 -20.07 295.805 -30.2085 6.67523 -86.357 8.34773 66.1816 PRESSAVG: 4320800 -36.4899 52.6176 -14.6816 52.6176 -48.0964 -43.3219 -14.6816 -43.3219 83.6366 GPRESSAVG: 4320800 -37.3236 50.6328 -11.529 52.7734 -47.8846 -44.3972 -15.1459 -44.7905 83.7865 TIMING: 4320800 CPU: 12836.6, 0.00293209/step Wall: 12836.6, 0.00293209/step, 0.553188 hours remaining, 208.238281 MB of memory in use. ENERGY: 4320800 747.9337 2109.1577 1924.7889 118.7835 -205772.4388 17565.3452 0.0000 0.0000 34248.1371 -149058.2926 299.0975 -183306.4297 -148967.0929 299.3733 -39.9018 -8.4488 558432.2754 -0.3166 -0.4739 PRESSURE: 4321000 220.246 -39.411 -31.758 -39.411 -138.717 39.8847 -31.7592 39.8831 -33.416 GPRESSURE: 4321000 229.552 -13.4588 -13.9374 -70.56 -88.6898 84.5159 -79.5303 92.4012 26.964 PRESSAVG: 4321000 -23.434 7.524 -35.4019 7.52402 -4.40078 -19.8981 -35.4019 -19.8981 8.78664 GPRESSAVG: 4321000 -22.8391 9.87917 -37.5137 5.74625 -5.72771 -20.0657 -36.4791 -20.7502 9.49878 TIMING: 4321000 CPU: 12837.1, 0.0029203/step Wall: 12837.1, 0.0029203/step, 0.550801 hours remaining, 208.238281 MB of memory in use. ENERGY: 4321000 751.5823 2113.4307 1956.0602 94.2931 -206309.5921 17910.9158 0.0000 0.0000 34325.5557 -149157.7544 299.7736 -183483.3101 -149061.8380 299.2511 16.0377 55.9422 558210.1667 -6.3494 -6.3560 PRESSURE: 4321200 287.921 52.576 41.5803 52.5752 -95.3809 2.40515 41.5808 2.4061 116.645 GPRESSURE: 4321200 310.337 50.5837 61.9758 58.5995 -50.0701 -51.3029 133.053 12.1065 165.67 PRESSAVG: 4321200 33.6822 -0.904785 14.4751 -0.904766 -27.9553 10.3323 14.4751 10.3322 37.1181 GPRESSAVG: 4321200 33.3755 -0.0175102 14.2823 -0.999588 -26.3627 9.52799 15.8962 10.8806 36.5541 TIMING: 4321200 CPU: 12837.7, 0.00292547/step Wall: 12837.7, 0.00292547/step, 0.551614 hours remaining, 208.238281 MB of memory in use. ENERGY: 4321200 732.1423 2118.7149 1888.5017 112.2194 -206136.8040 17867.0755 0.0000 0.0000 34233.3005 -149184.8498 298.9679 -183418.1503 -149087.1023 298.7289 103.0617 141.9787 558004.3144 14.2817 14.5223 PRESSURE: 4321400 -80.857 86.399 211.646 86.3985 -96.2046 42.4301 211.646 42.4281 -125.93 GPRESSURE: 4321400 -44.6487 124.524 195.013 104.368 -29.7137 35.3863 173.093 28.8346 -130.604 PRESSAVG: 4321400 -2.18646 14.8776 20.6352 14.8776 0.523629 1.59549 20.6352 1.59551 -51.1522 GPRESSAVG: 4321400 -1.3854 13.9592 20.5339 15.506 -0.245965 3.40804 21.5288 1.58292 -50.9997 TIMING: 4321400 CPU: 12838.3, 0.00296036/step Wall: 12838.3, 0.00296036/step, 0.558028 hours remaining, 208.238281 MB of memory in use. ENERGY: 4321400 741.3607 2080.4526 1930.2438 104.4224 -206100.2919 17744.3042 0.0000 0.0000 34231.4058 -149268.1024 298.9514 -183499.5082 -149170.6861 298.9054 -100.9973 -68.3223 558694.6544 -17.6050 -17.5437 PRESSURE: 4321600 -213.076 -128.803 -12.407 -128.805 -133.391 156.423 -12.4068 156.423 -180.725 GPRESSURE: 4321600 -178.54 -107.117 38.6598 -151.336 -104.952 239.818 -14.0545 131.187 -162.675 PRESSAVG: 4321600 -16.3867 -21.9418 8.40214 -21.9418 77.5975 38.5097 8.40214 38.5099 -18.6264 GPRESSAVG: 4321600 -17.2098 -20.8484 9.44147 -21.7817 78.7635 39.0363 9.9343 37.4632 -19.1494 TIMING: 4321600 CPU: 12838.9, 0.00295284/step Wall: 12838.9, 0.00295284/step, 0.556446 hours remaining, 208.238281 MB of memory in use. ENERGY: 4321600 756.7971 2098.0430 1930.6965 108.5242 -205886.8092 17669.0121 0.0000 0.0000 34019.0083 -149304.7280 297.0965 -183323.7363 -149208.7200 298.4607 -175.7308 -148.7225 559633.5139 14.1948 14.1347 PRESSURE: 4321800 57.8866 -74.8432 223.512 -74.8436 79.4173 -137.863 223.513 -137.864 -34.386 GPRESSURE: 4321800 88.4296 -11.4541 249.808 -58.4042 84.9432 -140.237 186.055 -192.652 29.8346 PRESSAVG: 4321800 -3.58926 4.73235 -33.3038 4.73229 25.3932 -22.2233 -33.3038 -22.2234 -11.932 GPRESSAVG: 4321800 -3.91526 4.42254 -33.8549 4.4055 23.6746 -23.4629 -34.0781 -21.9793 -10.1066 TIMING: 4321800 CPU: 12839.5, 0.00294941/step Wall: 12839.5, 0.00294941/step, 0.555636 hours remaining, 208.238281 MB of memory in use. ENERGY: 4321800 703.4733 2031.5847 1934.3367 118.0214 -205938.8811 17634.1368 0.0000 0.0000 34320.8662 -149196.4619 299.7327 -183517.3280 -149097.6317 298.2758 34.3059 67.7358 558194.0872 3.2907 3.2176 PRESSURE: 4322000 67.0688 45.0895 -175.525 45.0904 -151.751 -109.386 -175.526 -109.385 -46.4898 GPRESSURE: 4322000 110.253 -112.76 -271.164 127.836 -110.766 -115.309 -169.238 -63.3386 -24.9947 PRESSAVG: 4322000 74.029 -14.0949 -61.4985 -14.0948 13.7624 -68.1492 -61.4986 -68.1491 -69.5531 GPRESSAVG: 4322000 74.7177 -15.1265 -62.3575 -13.754 14.2265 -66.9983 -61.9654 -67.1666 -70.9041 TIMING: 4322000 CPU: 12840.1, 0.00291724/step Wall: 12840.1, 0.00291724/step, 0.549413 hours remaining, 208.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4322000 750.9667 2102.7128 1926.4426 100.7131 -206208.8926 17768.7677 0.0000 0.0000 34205.1824 -149354.1073 298.7224 -183559.2897 -149258.0578 299.2293 -43.7240 -8.5026 558614.2188 6.0794 6.0134 PRESSURE: 4322200 -237.713 158.566 53.1886 158.568 -144.154 -0.750046 53.1881 -0.750133 -84.4239 GPRESSURE: 4322200 -185.769 164.369 17.8482 160.382 -136.195 -62.5239 6.75661 -1.20581 -44.4528 PRESSAVG: 4322200 4.88521 -13.684 -21.5481 -13.6841 52.6217 -24.607 -21.5481 -24.607 -45.0927 GPRESSAVG: 4322200 4.16005 -14.4421 -20.0138 -12.0678 53.0841 -26.014 -22.3581 -24.4036 -45.0025 TIMING: 4322200 CPU: 12840.7, 0.00293467/step Wall: 12840.7, 0.00293467/step, 0.552533 hours remaining, 208.238281 MB of memory in use. ENERGY: 4322200 759.8024 2111.1125 1947.6652 99.8390 -205895.5358 17516.5265 0.0000 0.0000 34021.4627 -149439.1274 297.1179 -183460.5902 -149342.6018 298.5160 -155.4302 -122.1389 557399.7277 4.1381 4.0806 PRESSURE: 4322400 -273.004 22.1185 -157.744 22.1191 -194.945 91.6156 -157.743 91.6145 -105.246 GPRESSURE: 4322400 -251.023 8.29936 -208.751 21.1481 -128.189 118.68 -78.4045 10.1804 -98.1667 PRESSAVG: 4322400 -18.7083 17.6169 -9.83094 17.617 7.32405 23.2774 -9.83113 23.2774 5.38592 GPRESSAVG: 4322400 -18.0428 19.032 -9.70248 16.2115 6.20526 24.3237 -11.1016 21.0253 5.24708 TIMING: 4322400 CPU: 12841.2, 0.00293032/step Wall: 12841.2, 0.00293032/step, 0.551552 hours remaining, 208.238281 MB of memory in use. ENERGY: 4322400 801.0291 2173.8408 1922.6766 110.9364 -206534.9159 17717.3259 0.0000 0.0000 34206.6538 -149602.4534 298.7352 -183809.1071 -149515.2006 298.8269 -191.0648 -159.1264 557480.1503 -1.9994 -2.1968 PRESSURE: 4322600 -153.765 41.2973 -110.645 41.2972 -27.8592 22.2878 -110.645 22.2862 40.1456 GPRESSURE: 4322600 -122.407 -6.05352 -214.693 -44.0347 71.8189 28.7552 63.0508 25.9213 4.89879 PRESSAVG: 4322600 -20.6331 -16.2387 14.8196 -16.2387 41.1919 4.45443 14.8197 4.45449 16.3909 GPRESSAVG: 4322600 -20.6221 -17.1841 13.9606 -16.6858 41.6673 4.82228 16.0645 4.38424 16.6536 TIMING: 4322600 CPU: 12841.8, 0.00292016/step Wall: 12841.8, 0.00292016/step, 0.549476 hours remaining, 208.238281 MB of memory in use. ENERGY: 4322600 741.1797 2133.8492 1931.2418 115.5948 -206562.7971 17764.3339 0.0000 0.0000 34241.0030 -149635.5946 299.0352 -183876.5976 -149536.7161 298.7622 -47.1596 -15.2299 556394.3070 12.3166 12.5663 PRESSURE: 4322800 55.1999 11.8441 43.1107 11.8435 -101.964 44.7608 43.1092 44.761 -49.8271 GPRESSURE: 4322800 139.437 56.5458 60.8342 3.98136 -79.3077 -8.80693 15.9784 177.929 -51.2043 PRESSAVG: 4322800 -39.9066 0.407253 14.122 0.407374 4.06069 -18.0685 14.1219 -18.0685 12.9486 GPRESSAVG: 4322800 -39.9553 -0.880964 14.7821 0.295162 3.66736 -20.584 14.2362 -15.2718 14.1908 TIMING: 4322800 CPU: 12842.4, 0.00291208/step Wall: 12842.4, 0.00291208/step, 0.547794 hours remaining, 208.238281 MB of memory in use. ENERGY: 4322800 735.0251 2160.0298 1934.2013 116.8135 -206617.2951 17740.5950 0.0000 0.0000 34341.8957 -149588.7346 299.9163 -183930.6304 -149496.7782 298.5199 -32.1970 2.9751 556602.1297 -7.6324 -7.3657 PRESSURE: 4323000 202.449 -43.7501 -69.0434 -43.7496 231.918 21.3817 -69.0422 21.3826 62.2892 GPRESSURE: 4323000 246.359 -7.09006 -105.189 -16.783 225.774 24.0849 16.3231 -80.729 110.148 PRESSAVG: 4323000 -33.043 -32.1593 2.26776 -32.1593 16.7319 -16.1534 2.26776 -16.1535 25.8249 GPRESSAVG: 4323000 -34.2005 -31.6804 0.838746 -30.8718 17.8299 -12.7616 3.96014 -18.9796 25.6144 TIMING: 4323000 CPU: 12843, 0.00290931/step Wall: 12843, 0.00290931/step, 0.547112 hours remaining, 208.238281 MB of memory in use. ENERGY: 4323000 748.7228 2150.8621 1925.8362 116.2720 -206568.3480 18052.7577 0.0000 0.0000 34016.9573 -149556.9400 297.0785 -183573.8973 -149466.0395 298.0856 165.5519 194.0936 556254.7220 3.1713 3.0813 PRESSURE: 4323200 109.704 51.3891 88.1412 51.3888 7.68142 -105.358 88.141 -105.358 -62.8847 GPRESSURE: 4323200 193.044 125.807 124.22 92.356 31.5725 -167.423 35.4795 -76.2843 -69.8912 PRESSAVG: 4323200 1.19599 22.6866 1.04087 22.6865 32.8399 11.0226 1.04089 11.0225 -14.9261 GPRESSAVG: 4323200 2.73014 23.2091 1.68677 21.9753 32.4558 8.63285 1.18421 12.139 -15.1517 TIMING: 4323200 CPU: 12843.6, 0.0029114/step Wall: 12843.6, 0.0029114/step, 0.547342 hours remaining, 208.238281 MB of memory in use. ENERGY: 4323200 741.3771 2134.2397 1924.1509 110.4423 -206379.7822 17916.5853 0.0000 0.0000 34169.3587 -149383.6283 298.4095 -183552.9869 -149277.8312 298.4677 18.1669 51.5751 558057.6481 6.3699 6.6780 PRESSURE: 4323400 -209.836 -62.3812 -167.401 -62.3821 -77.8465 -125.139 -167.401 -125.14 26.2756 GPRESSURE: 4323400 -160.284 -86.3046 -120.062 -26.7232 -53.2915 -132.026 -144.164 -51.7103 59.4604 PRESSAVG: 4323400 46.5548 -13.0974 29.4613 -13.0974 -21.0966 -36.2391 29.4614 -36.239 16.418 GPRESSAVG: 4323400 46.259 -14.0256 31.9514 -12.9208 -21.0943 -35.3554 27.4068 -36.786 16.4069 TIMING: 4323400 CPU: 12844.2, 0.00290315/step Wall: 12844.2, 0.00290315/step, 0.545631 hours remaining, 208.238281 MB of memory in use. ENERGY: 4323400 732.8078 2139.0471 1939.9711 110.8121 -205800.9519 17534.4158 0.0000 0.0000 34007.8604 -149336.0376 296.9991 -183343.8981 -149241.5574 299.0486 -87.1355 -51.3717 557605.7230 13.9587 13.8572 PRESSURE: 4323600 -107.987 -83.6266 53.3664 -83.6278 72.9742 -40.1308 53.3652 -40.1311 171.351 GPRESSURE: 4323600 -128.481 -55.4056 65.0759 -67.6838 129.008 -111.975 46.599 -13.0542 222.187 PRESSAVG: 4323600 67.4539 -34.0158 33.3733 -34.0159 -91.4591 -28.6023 33.3733 -28.6022 48.9639 GPRESSAVG: 4323600 67.4002 -32.5883 32.5632 -35.8661 -91.5145 -29.594 32.853 -27.3946 49.2081 TIMING: 4323600 CPU: 12844.7, 0.00291153/step Wall: 12844.7, 0.00291153/step, 0.547044 hours remaining, 208.304688 MB of memory in use. ENERGY: 4323600 730.5233 2127.1597 1921.4444 117.8397 -206148.2490 17738.3516 0.0000 0.0000 34191.6851 -149321.2452 298.6045 -183512.9303 -149226.5052 298.6627 45.4460 74.2377 556933.1595 8.3196 8.3646 PRESSURE: 4323800 228.307 115.575 -53.3459 115.575 84.1304 26.5659 -53.3453 26.5644 -0.772755 GPRESSURE: 4323800 310.623 131.819 -114.159 147.618 98.7788 70.4848 -61.7807 5.74947 -9.16016 PRESSAVG: 4323800 94.0818 -11.1394 3.67903 -11.1394 -77.8824 -15.9879 3.67904 -15.988 51.6872 GPRESSAVG: 4323800 94.2442 -11.647 3.50657 -10.7163 -77.6558 -16.5214 4.96283 -16.1387 51.3844 TIMING: 4323800 CPU: 12845.3, 0.0029188/step Wall: 12845.3, 0.0029188/step, 0.548247 hours remaining, 208.304688 MB of memory in use. ENERGY: 4323800 731.8523 2089.5486 1917.3687 104.5858 -206290.5823 17965.5661 0.0000 0.0000 34222.4837 -149259.1772 298.8735 -183481.6608 -149160.3485 299.4316 103.8884 133.4139 556454.2040 22.6289 22.6576 PRESSURE: 4324000 144.61 142.355 -111.686 142.353 10.6864 -10.5774 -111.685 -10.5788 -133.583 GPRESSURE: 4324000 172.589 80.9441 -131.473 108.717 22.2632 -52.2588 -79.5448 53.1968 -67.6694 PRESSAVG: 4324000 -29.1295 0.15413 1.95707 0.154154 -12.6847 -4.34475 1.95698 -4.34466 -25.1291 GPRESSAVG: 4324000 -29.207 0.550002 1.74084 1.8551 -12.5333 -5.07928 3.41461 -3.33199 -25.2271 TIMING: 4324000 CPU: 12845.9, 0.00292495/step Wall: 12845.9, 0.00292495/step, 0.54924 hours remaining, 208.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4324000 768.3479 2064.0210 1948.7346 116.9576 -206013.3047 17762.3836 0.0000 0.0000 34165.5257 -149187.3344 298.3760 -183352.8601 -149087.2363 299.0540 7.2378 42.3942 555700.7119 -22.3144 -22.3225 PRESSURE: 4324200 257.75 124.841 -77.8968 124.841 319.329 99.3393 -77.8958 99.3393 -155.428 GPRESSURE: 4324200 257.913 99.4683 -62.8644 107.177 346.202 140.247 -81.6475 45.991 -89.0993 PRESSAVG: 4324200 13.5652 38.1182 36.3587 38.1183 -31.499 39.2512 36.3587 39.2512 28.9604 GPRESSAVG: 4324200 13.527 39.4791 35.4612 36.1401 -31.8859 40.4068 35.643 37.4933 29.7181 TIMING: 4324200 CPU: 12846.5, 0.00292185/step Wall: 12846.5, 0.00292185/step, 0.548496 hours remaining, 208.304688 MB of memory in use. ENERGY: 4324200 759.2363 2152.3463 1950.5250 119.5818 -206583.5695 18115.1633 0.0000 0.0000 34497.9953 -148988.7215 301.2796 -183486.7168 -148887.3394 300.2518 140.5504 171.6719 557400.9638 3.6755 3.7864 LDB: ============= START OF LOAD BALANCING ============== 12850 LDB: ============== END OF LOAD BALANCING =============== 12850 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12850 LDB: ============= START OF LOAD BALANCING ============== 12850.3 LDB: Largest compute 4801 load 0.021323 is 18.0% of average load 0.118203 LDB: Average compute 0.001727 is 1.5% of average load 0.118203 LDB: TIME 12850.3 LOAD: AVG 0.118203 MAX 0.197732 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.039 MB LDB: TIME 12850.3 LOAD: AVG 0.118203 MAX 0.197732 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: TIME 12850.3 LOAD: AVG 0.118203 MAX 0.197732 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12850.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12850.3 PRESSURE: 4324400 -199.121 85.6656 -154.352 85.6654 38.046 7.43572 -154.352 7.43658 -0.37866 GPRESSURE: 4324400 -180.607 71.4486 -50.4238 54.5342 51.8473 9.7368 -233.92 -14.4666 45.8005 PRESSAVG: 4324400 -58.1355 34.3841 -29.3062 34.384 65.8853 13.4221 -29.3062 13.4222 12.2518 GPRESSAVG: 4324400 -57.3014 32.9408 -30.2721 35.6403 66.3904 14.1826 -30.2378 10.6004 10.8706 TIMING: 4324400 CPU: 12847.1, 0.00299999/step Wall: 12847.1, 0.00299998/step, 0.562997 hours remaining, 208.570312 MB of memory in use. ENERGY: 4324400 758.5491 2127.3287 1946.7448 113.3232 -205992.2694 17812.8825 0.0000 0.0000 34289.5571 -148943.8842 299.4592 -183233.4412 -148849.6817 299.9282 -53.8181 -27.6530 558680.3266 6.6672 6.6532 PRESSURE: 4324600 186.628 47.7604 -55.0345 47.761 114.329 68.4265 -55.0343 68.4273 104.039 GPRESSURE: 4324600 216.457 51.5724 -118.147 80.0888 101.646 61.4349 -12.8291 49.6247 198.404 PRESSAVG: 4324600 12.8292 29.7601 19.2455 29.7602 -27.9291 -65.719 19.2454 -65.719 -0.113057 GPRESSAVG: 4324600 12.5359 28.5584 20.145 30.3502 -28.8748 -66.5882 19.639 -62.5554 1.29903 TIMING: 4324600 CPU: 12847.7, 0.0029538/step Wall: 12847.7, 0.0029538/step, 0.554166 hours remaining, 208.828125 MB of memory in use. ENERGY: 4324600 740.5049 2152.6781 1916.2190 111.4375 -206345.8701 18027.4790 0.0000 0.0000 34409.8869 -148987.6647 300.5101 -183397.5516 -148884.0037 299.7784 134.9988 172.1690 557058.0204 -5.0710 -5.0133 PRESSURE: 4324800 -8.73557 -2.59851 88.8964 -2.5991 -171.303 -46.57 88.8974 -46.5698 60.5969 GPRESSURE: 4324800 -18.4281 -7.09573 -17.3972 32.8899 -117.568 4.50857 122.743 -0.491163 96.9946 PRESSAVG: 4324800 4.97743 26.5804 18.2971 26.5805 0.515457 -9.51853 18.297 -9.51862 60.2028 GPRESSAVG: 4324800 3.80965 29.1442 18.2418 26.2905 0.720994 -10.1899 17.6469 -9.71306 60.6426 TIMING: 4324800 CPU: 12848.3, 0.00296698/step Wall: 12848.3, 0.00296698/step, 0.556473 hours remaining, 208.828125 MB of memory in use. ENERGY: 4324800 754.3908 2054.7613 1943.8110 115.9502 -206079.3963 17736.1155 0.0000 0.0000 34367.3261 -149107.0414 300.1384 -183474.3675 -149013.6446 300.3014 -39.8138 -13.0004 557996.1415 21.8986 21.7244 PRESSURE: 4325000 8.9903 210.72 41.9387 210.72 -107.924 -88.2145 41.9397 -88.2161 256.564 GPRESSURE: 4325000 73.0381 149.94 140.936 115.044 -54.4848 -143.077 23.5845 -93.0315 231.806 PRESSAVG: 4325000 -42.4888 -46.8396 44.5454 -46.8397 22.7842 -56.4403 44.5454 -56.4402 39.6129 GPRESSAVG: 4325000 -41.5484 -48.4462 44.9205 -46.5238 22.6916 -55.6841 45.4926 -58.837 38.2596 TIMING: 4325000 CPU: 12848.9, 0.00294575/step Wall: 12848.9, 0.00294575/step, 0.552327 hours remaining, 208.828125 MB of memory in use. ENERGY: 4325000 709.4040 2152.6613 1936.2009 126.8127 -206440.7137 17991.7799 0.0000 0.0000 34420.8138 -149103.0411 300.6055 -183523.8549 -149009.5362 300.2698 52.5432 83.4530 558309.8623 6.6361 6.4676 PRESSURE: 4325200 103.129 29.0029 13.9694 29.0029 264.462 119.506 13.9692 119.507 169.197 GPRESSURE: 4325200 175.38 31.4083 -17.7307 -79.2965 287.275 131.402 54.2081 -34.5954 176.5 PRESSAVG: 4325200 29.8165 -18.5236 13.4742 -18.5236 31.5405 -36.9373 13.4742 -36.9372 -50.7691 GPRESSAVG: 4325200 29.3949 -18.0625 14.6549 -18.7664 31.5435 -36.379 14.0691 -34.6788 -50.3158 TIMING: 4325200 CPU: 12849.5, 0.002947/step Wall: 12849.5, 0.002947/step, 0.552399 hours remaining, 208.828125 MB of memory in use. ENERGY: 4325200 726.8059 2122.7390 1929.4344 111.3341 -206259.0205 17919.3273 0.0000 0.0000 34218.9615 -149230.4184 298.8427 -183449.3799 -149132.7950 300.0632 178.9296 213.0515 556906.0725 3.5293 3.5408 PRESSURE: 4325400 -207.24 -30.8141 74.5964 -30.8142 -1.81865 -68.3653 74.5972 -68.3648 -344.668 GPRESSURE: 4325400 -181.652 -18.4081 47.659 -28.1986 10.1002 -77.6967 17.8283 -60.2081 -279.972 PRESSAVG: 4325400 50.6741 8.52724 23.2797 8.52716 -20.9088 -17.5576 23.2796 -17.5576 -10.107 GPRESSAVG: 4325400 49.4406 8.56202 21.1599 9.51432 -19.9013 -19.1847 21.5579 -17.0761 -9.82942 TIMING: 4325400 CPU: 12850, 0.00291671/step Wall: 12850, 0.00291671/step, 0.546559 hours remaining, 208.933594 MB of memory in use. ENERGY: 4325400 780.8651 2121.6100 1937.5481 116.0016 -205933.4125 17481.8628 0.0000 0.0000 34137.6602 -149357.8648 298.1327 -183495.5250 -149265.9143 299.1775 -184.5757 -150.5080 558560.9053 6.5528 6.5700 PRESSURE: 4325600 -52.6708 -79.7108 154.993 -79.7121 -76.2458 29.3994 154.992 29.3989 -89.3761 GPRESSURE: 4325600 -46.1992 -37.3567 178.332 -86.4793 -57.1409 7.46696 187.354 -2.5771 -23.9074 PRESSAVG: 4325600 -23.5331 13.728 -29.6492 13.728 43.7598 -22.556 -29.6491 -22.556 -55.4832 GPRESSAVG: 4325600 -22.7623 14.1522 -29.8494 11.9793 41.1904 -21.728 -26.5122 -23.8546 -54.1819 TIMING: 4325600 CPU: 12850.6, 0.00291229/step Wall: 12850.6, 0.00291229/step, 0.545569 hours remaining, 208.933594 MB of memory in use. ENERGY: 4325600 814.0700 2142.7797 1946.9959 113.9875 -206581.5542 17986.3324 0.0000 0.0000 34204.5397 -149372.8490 298.7168 -183577.3887 -149280.6431 298.7656 -72.7642 -42.4158 558077.8755 -11.7522 -11.9179 PRESSURE: 4325800 -112.109 87.3829 -212.659 87.3823 -224.696 -162.899 -212.659 -162.899 -52.5327 GPRESSURE: 4325800 -138.048 103.795 -186.684 -9.3284 -160.142 -103.466 -223.102 -95.3601 11.1337 PRESSAVG: 4325800 -69.365 42.4271 10.212 42.4271 -12.8209 -23.7908 10.2121 -23.7908 54.4345 GPRESSAVG: 4325800 -70.3654 43.4138 10.006 41.57 -10.4163 -24.0036 7.54538 -22.3985 53.6637 TIMING: 4325800 CPU: 12851.2, 0.00293366/step Wall: 12851.2, 0.00293366/step, 0.549409 hours remaining, 208.933594 MB of memory in use. ENERGY: 4325800 791.8629 2112.0607 1913.6690 117.3500 -206496.7807 17940.7886 0.0000 0.0000 34249.0164 -149372.0332 299.1052 -183621.0496 -149279.0741 298.6836 -129.7792 -95.6855 558289.4276 -9.2505 -9.0393 PRESSURE: 4326000 154.412 -91.3495 92.3281 -91.3498 44.5232 84.443 92.3282 84.4419 142.419 GPRESSURE: 4326000 119.538 -33.3743 109.39 -57.1894 102.138 52.5046 89.645 85.3406 201.218 PRESSAVG: 4326000 -8.93904 11.6614 1.77682 11.6615 -48.3484 -41.6618 1.77684 -41.6618 57.9855 GPRESSAVG: 4326000 -7.92157 9.77562 0.984254 13.8632 -49.1247 -41.4274 2.91016 -42.6491 57.5506 TIMING: 4326000 CPU: 12851.8, 0.0029539/step Wall: 12851.8, 0.0029539/step, 0.553035 hours remaining, 208.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4326000 746.6103 2122.1339 1949.4140 103.6464 -206687.9581 18169.6008 0.0000 0.0000 34262.1946 -149334.3581 299.2203 -183596.5527 -149232.6795 298.5825 113.7847 140.9646 558299.3429 0.2327 0.1681 PRESSURE: 4326200 110.191 74.6883 -32.8704 74.6885 242.442 -100.517 -32.8705 -100.518 242.006 GPRESSURE: 4326200 159.722 88.615 -0.000179024 95.0479 265.337 -116.047 -77.6256 -42.0679 259.964 PRESSAVG: 4326200 6.25736 64.4959 39.2799 64.496 -13.366 -2.64745 39.2798 -2.64746 43.873 GPRESSAVG: 4326200 6.95679 64.9385 41.1034 61.1175 -13.1893 -1.67185 38.17 -2.05897 43.3011 TIMING: 4326200 CPU: 12852.4, 0.00298398/step Wall: 12852.4, 0.00298398/step, 0.558502 hours remaining, 208.933594 MB of memory in use. ENERGY: 4326200 738.6258 2125.6723 1955.8135 114.4025 -206637.9799 18290.5573 0.0000 0.0000 34318.6379 -149094.2707 299.7132 -183412.9086 -149002.5620 298.7916 198.2133 228.3411 558120.8515 12.2548 12.3562 PRESSURE: 4326400 206.862 115.187 -83.0361 115.187 -344.177 91.181 -83.0374 91.1812 125.178 GPRESSURE: 4326400 232.753 138.538 -101.181 152.38 -291.651 89.8408 -55.5819 109.623 142.907 PRESSAVG: 4326400 39.5134 24.1641 -8.3186 24.1641 19.5782 4.20469 -8.31858 4.2046 -36.9072 GPRESSAVG: 4326400 38.2693 23.5929 -11.4031 25.4861 20.1126 5.70282 -8.6894 3.72046 -35.9756 TIMING: 4326400 CPU: 12853, 0.00295555/step Wall: 12853, 0.00295555/step, 0.553017 hours remaining, 208.933594 MB of memory in use. ENERGY: 4326400 771.8021 2073.7836 1961.3416 112.9444 -206197.2635 17911.6588 0.0000 0.0000 34393.5580 -148972.1751 300.3675 -183365.7331 -148875.4122 299.8948 -4.0458 28.0031 557627.7148 7.3948 7.4688 PRESSURE: 4326600 109.032 74.6682 39.6004 74.6698 -359.932 -89.7656 39.6011 -89.7659 -255.894 GPRESSURE: 4326600 33.196 72.9116 21.0665 86.8655 -303.225 -121.099 87.7617 -43.414 -134.959 PRESSAVG: 4326600 -27.3722 39.0075 -55.7988 39.0076 13.6585 -27.3061 -55.7988 -27.3062 6.91056 GPRESSAVG: 4326600 -27.1461 39.0442 -53.1058 39.6338 14.1619 -28.4751 -54.9524 -26.7941 6.51582 TIMING: 4326600 CPU: 12853.6, 0.00297623/step Wall: 12853.6, 0.00297623/step, 0.55672 hours remaining, 208.933594 MB of memory in use. ENERGY: 4326600 749.7339 2115.6612 1934.7352 101.4476 -205802.6428 17515.6215 0.0000 0.0000 34342.1304 -149043.3131 299.9184 -183385.4435 -148940.9034 299.8780 -168.9313 -134.9962 557664.1007 -2.2677 -2.1561 PRESSURE: 4326800 58.9184 -146.993 14.4875 -146.993 -9.50246 -28.4851 14.4868 -28.485 88.2532 GPRESSURE: 4326800 148.548 -93.149 -86.7487 -115.564 47.7686 -6.93679 85.7154 -53.3332 35.5477 PRESSAVG: 4326800 2.0018 -12.7233 -25.8799 -12.7233 1.37254 6.74557 -25.88 6.74578 -17 GPRESSAVG: 4326800 2.04196 -11.6006 -26.5144 -13.7157 2.32067 6.2414 -25.5076 5.61774 -18.021 TIMING: 4326800 CPU: 12854.2, 0.0029733/step Wall: 12854.2, 0.0029733/step, 0.556008 hours remaining, 208.933594 MB of memory in use. ENERGY: 4326800 759.2050 2071.9309 1920.1966 113.9957 -206332.3783 17969.5089 0.0000 0.0000 34463.1060 -149034.4351 300.9749 -183497.5412 -148937.8330 299.3723 45.8897 77.2882 556610.0110 -4.5419 -4.5528 PRESSURE: 4327000 -229.88 -22.1576 -67.4463 -22.1572 72.4401 -19.0966 -67.4458 -19.0967 -46.2951 GPRESSURE: 4327000 -108.567 -2.81261 -60.2652 2.52588 83.0684 -9.68863 32.2521 -37.1788 -73.4301 PRESSAVG: 4327000 45.4914 -19.4239 -43.8844 -19.424 -6.10679 -67.957 -43.8843 -67.957 9.39398 GPRESSAVG: 4327000 45.0804 -20.9551 -43.2084 -18.473 -6.08828 -67.5196 -43.8967 -68.4694 9.88509 TIMING: 4327000 CPU: 12854.8, 0.00298385/step Wall: 12854.8, 0.00298385/step, 0.557815 hours remaining, 208.933594 MB of memory in use. ENERGY: 4327000 754.3723 2059.7018 1926.4082 106.8937 -205689.0382 17531.9336 0.0000 0.0000 34223.9194 -149085.8092 298.8860 -183309.7286 -148988.8461 299.8093 -67.9118 -32.9762 556260.6522 16.2595 16.2924 PRESSURE: 4327200 -127.102 57.6722 -4.60862 57.6734 -259.253 -25.5857 -4.60882 -25.5862 -107.44 GPRESSURE: 4327200 -82.8714 61.5816 -60.4209 19.5511 -197.667 10.5298 105.656 -73.3916 -132.769 PRESSAVG: 4327200 -20.2605 18.896 -9.98321 18.8961 57.039 21.7297 -9.9833 21.7297 -5.20573 GPRESSAVG: 4327200 -20.1986 19.9583 -8.76598 17.5436 56.4126 22.863 -11.0421 22.2833 -5.26651 TIMING: 4327200 CPU: 12855.4, 0.00298064/step Wall: 12855.4, 0.00298064/step, 0.557049 hours remaining, 208.933594 MB of memory in use. ENERGY: 4327200 756.4101 2106.5426 1916.2371 118.4919 -205762.7665 17428.3771 0.0000 0.0000 34220.3871 -149216.3206 298.8552 -183436.7076 -149120.8768 299.7107 -164.5980 -137.7690 557043.1113 10.5243 10.3158 PRESSURE: 4327400 61.4654 -73.1342 -102.151 -73.1338 -34.3532 6.51189 -102.151 6.51158 -52.3415 GPRESSURE: 4327400 75.8042 -51.1024 -128.589 -30.9942 -16.5463 45.7633 30.1752 -84.6833 15.6728 PRESSAVG: 4327400 41.6184 53.1772 -5.0111 53.1773 -16.755 -29.6018 -5.01112 -29.6018 23.8832 GPRESSAVG: 4327400 41.7926 50.8378 -6.60108 54.8884 -16.7406 -31.9617 -4.69963 -28.6597 23.5082 TIMING: 4327400 CPU: 12856, 0.00294698/step Wall: 12856, 0.00294698/step, 0.550595 hours remaining, 208.933594 MB of memory in use. ENERGY: 4327400 750.0659 2119.5177 1899.3967 121.3724 -206409.3951 17918.6472 0.0000 0.0000 34368.0971 -149232.2981 300.1451 -183600.3952 -149142.6869 298.5990 -8.4098 24.9769 557475.2743 16.2489 16.1867 PRESSURE: 4327600 -90.3467 -54.8394 91.8115 -54.838 -261.403 -1.61205 91.8115 -1.61214 -43.1835 GPRESSURE: 4327600 -105.499 -54.8985 86.4766 -40.48 -214.578 -61.2129 75.0069 30.4433 19.5959 PRESSAVG: 4327600 -4.94124 6.54531 23.9269 6.54527 -8.06596 -21.1721 23.9268 -21.1722 0.215488 GPRESSAVG: 4327600 -5.57214 10.9209 24.0369 4.27526 -9.03084 -20.7327 24.0093 -19.2375 1.52577 TIMING: 4327600 CPU: 12856.6, 0.00296677/step Wall: 12856.6, 0.00296677/step, 0.554127 hours remaining, 208.933594 MB of memory in use. ENERGY: 4327600 741.0292 2109.5421 1968.1794 115.8788 -206125.5150 17551.5023 0.0000 0.0000 34428.0754 -149211.3078 300.6689 -183639.3833 -149117.4778 299.4111 -131.6442 -100.1605 556416.4157 -4.2639 -4.3591 PRESSURE: 4327800 -49.4025 0.616431 -7.17557 0.616821 112.162 86.6489 -7.17655 86.6479 -93.2739 GPRESSURE: 4327800 -2.33578 21.7594 9.6956 -45.9518 87.6698 91.4988 5.24038 2.23118 -34.3929 PRESSAVG: 4327800 -4.23965 -15.2814 32.1885 -15.2814 -3.14037 -15.2547 32.1886 -15.2547 9.19472 GPRESSAVG: 4327800 -4.10553 -14.9835 31.507 -15.4524 -3.73293 -14.1485 31.6445 -18.3119 9.00084 TIMING: 4327800 CPU: 12857.1, 0.00293936/step Wall: 12857.1, 0.00293936/step, 0.548844 hours remaining, 208.933594 MB of memory in use. ENERGY: 4327800 788.3090 2091.3193 1939.3823 119.0759 -205928.3843 17727.1724 0.0000 0.0000 34249.1215 -149014.0038 299.1061 -183263.1253 -148922.5001 299.7991 -10.1716 16.9804 557771.8351 0.6049 0.3875 PRESSURE: 4328000 91.3614 -36.0832 -5.04588 -36.0832 289.877 -141.431 -5.04721 -141.432 -109.541 GPRESSURE: 4328000 77.5033 36.8364 48.3626 -61.2441 344.607 -194.979 -10.7754 -30.0656 -42.4497 PRESSAVG: 4328000 27.7055 15.3674 54.2692 15.3673 20.2855 -10.0103 54.2692 -10.0103 -14.0904 GPRESSAVG: 4328000 28.3462 13.9777 56.16 15.127 19.7214 -11.6419 53.1327 -6.69858 -14.1446 TIMING: 4328000 CPU: 12857.7, 0.00294944/step Wall: 12857.7, 0.00294944/step, 0.550563 hours remaining, 208.933594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4328000 718.0663 2072.4064 1935.3584 126.2834 -206176.4734 17952.5191 0.0000 0.0000 34278.3252 -149093.5147 299.3611 -183371.8399 -148994.2875 299.8422 90.5658 126.5537 557560.7035 11.3002 11.3077 PRESSURE: 4328200 -218.221 138.707 63.0413 138.706 -135.573 -90.4872 63.0408 -90.4892 -321.499 GPRESSURE: 4328200 -212.84 57.1569 18.0699 221.905 -142.575 -150.197 46.7449 -83.5936 -221.613 PRESSAVG: 4328200 37.1356 38.5655 -4.10207 38.5655 27.723 -51.7868 -4.10199 -51.7869 -70.4134 GPRESSAVG: 4328200 36.0867 36.7992 -5.93382 41.7899 28.8642 -50.5737 -2.96579 -52.3463 -70.8855 TIMING: 4328200 CPU: 12858.3, 0.00292177/step Wall: 12858.3, 0.00292177/step, 0.545234 hours remaining, 208.933594 MB of memory in use. ENERGY: 4328200 777.1218 2167.6676 1923.8950 115.8089 -205769.4038 17490.7074 0.0000 0.0000 34431.9740 -148862.2292 300.7030 -183294.2031 -148770.8708 299.7666 -225.0978 -192.3424 557202.4255 -1.8516 -1.9782 LDB: ============= START OF LOAD BALANCING ============== 12861.9 LDB: ============== END OF LOAD BALANCING =============== 12861.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12861.9 LDB: ============= START OF LOAD BALANCING ============== 12862.2 LDB: Largest compute 4809 load 0.021044 is 17.8% of average load 0.118273 LDB: Average compute 0.001742 is 1.5% of average load 0.118273 LDB: TIME 12862.2 LOAD: AVG 0.118273 MAX 0.196061 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.039 MB LDB: TIME 12862.2 LOAD: AVG 0.118273 MAX 0.196061 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: TIME 12862.2 LOAD: AVG 0.118273 MAX 0.196061 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: ============== END OF LOAD BALANCING =============== 12862.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12862.2 PRESSURE: 4328400 -9.13217 -76.5394 -12.2043 -76.54 -23.9577 34.6768 -12.204 34.6776 -13.8666 GPRESSURE: 4328400 24.0549 -116.155 2.39616 -66.996 -17.3198 90.731 -8.94567 93.8297 41.757 PRESSAVG: 4328400 -8.25951 49.2984 15.9001 49.2984 32.6637 29.2496 15.9001 29.2496 -21.9174 GPRESSAVG: 4328400 -9.17237 50.2863 15.7156 47.8568 33.5807 27.2684 16.7796 31.0194 -22.4153 TIMING: 4328400 CPU: 12858.9, 0.00298375/step Wall: 12858.9, 0.00298375/step, 0.556635 hours remaining, 209.320312 MB of memory in use. ENERGY: 4328400 756.9006 2089.9385 1921.8704 100.8778 -205890.7323 17669.2411 0.0000 0.0000 34292.0856 -149059.8183 299.4813 -183351.9039 -148963.2634 299.5849 -15.6522 16.1641 556335.5182 0.8289 0.6644 PRESSURE: 4328600 -9.88068 187.635 10.9588 187.634 32.376 57.4809 10.9591 57.4828 266.04 GPRESSURE: 4328600 42.6402 267.067 88.2952 104.186 108.495 -104.103 12.6894 174.575 230.421 PRESSAVG: 4328600 16.8408 23.2051 71.9768 23.2052 32.4235 4.37142 71.9767 4.3713 -31.9183 GPRESSAVG: 4328600 18.037 24.6155 73.878 22.2998 32.6052 6.34536 70.8126 2.37259 -32.9141 TIMING: 4328600 CPU: 12859.5, 0.00294522/step Wall: 12859.5, 0.00294522/step, 0.549283 hours remaining, 209.320312 MB of memory in use. ENERGY: 4328600 759.1056 2124.9845 1969.3897 99.8806 -206539.3267 17991.6956 0.0000 0.0000 34365.0074 -149229.2632 300.1182 -183594.2706 -149134.5765 299.1590 96.1783 127.1854 556608.2129 5.7820 5.9094 PRESSURE: 4328800 20.895 -19.9567 14.1752 -19.9575 -94.4564 33.2064 14.1738 33.2077 -47.4269 GPRESSURE: 4328800 68.3506 6.00362 62.0196 -57.6008 -86.3677 -140.559 -1.04143 110.941 3.71868 PRESSAVG: 4328800 -9.59803 7.48529 20.056 7.48523 2.52495 -3.7793 20.0559 -3.77945 3.39844 GPRESSAVG: 4328800 -9.30322 5.92724 19.0234 8.01848 2.1362 -3.40706 19.9923 -5.14616 3.49113 TIMING: 4328800 CPU: 12860.1, 0.00292988/step Wall: 12860.1, 0.00292988/step, 0.54626 hours remaining, 209.320312 MB of memory in use. ENERGY: 4328800 745.6387 2083.4455 1955.8306 116.4723 -205987.0451 17721.5102 0.0000 0.0000 34242.9222 -149121.2257 299.0520 -183364.1479 -149020.1754 299.5104 -40.3294 -4.7661 557702.8041 -1.2249 -1.2253 PRESSURE: 4329000 -412.514 30.7983 -109.765 30.798 -419.393 -136.032 -109.765 -136.032 38.2233 GPRESSURE: 4329000 -339.215 16.2904 1.26034 38.0436 -361.576 -96.861 -139.795 -192.341 14.4207 PRESSAVG: 4329000 29.0245 -33.7199 2.61612 -33.7198 -12.5735 -73.7589 2.61605 -73.759 8.67443 GPRESSAVG: 4329000 29.0281 -34.2783 2.67226 -33.3605 -13.2016 -72.1741 1.71005 -73.9974 9.43199 TIMING: 4329000 CPU: 12860.7, 0.00293572/step Wall: 12860.7, 0.00293572/step, 0.547185 hours remaining, 209.320312 MB of memory in use. ENERGY: 4329000 754.0587 2128.0209 1938.9278 109.4960 -205997.9497 17442.5103 0.0000 0.0000 34462.7002 -149162.2357 300.9713 -183624.9360 -149062.0805 300.2430 -264.5612 -228.7900 557390.9190 8.3752 8.4195 PRESSURE: 4329200 -93.0647 30.3705 65.687 30.3691 96.2325 45.4631 65.6876 45.463 -134.274 GPRESSURE: 4329200 -49.3729 23.0281 141.747 39.9657 109.6 82.1644 28.2785 -38.3732 -94.7766 PRESSAVG: 4329200 8.07289 25.2393 36.8903 25.2392 10.9372 -11.4831 36.8903 -11.4831 -13.4252 GPRESSAVG: 4329200 7.47565 23.3487 35.959 25.8881 11.0209 -12.6733 38.4512 -12.0296 -13.5713 TIMING: 4329200 CPU: 12861.3, 0.00291545/step Wall: 12861.3, 0.00291545/step, 0.543246 hours remaining, 209.320312 MB of memory in use. ENERGY: 4329200 750.2561 2117.7691 1937.5996 103.1158 -206228.3707 17765.2530 0.0000 0.0000 34426.4404 -149127.9367 300.6547 -183554.3772 -149025.3918 300.2702 -43.7022 -11.5165 557973.9974 1.8616 1.6418 PRESSURE: 4329400 77.774 -4.99248 75.1208 -4.99286 170.824 241.417 75.1206 241.419 -25.8428 GPRESSURE: 4329400 113.353 -47.4273 17.0656 92.6246 186.121 203.677 182.531 312.262 24.6058 PRESSAVG: 4329400 3.60692 23.0377 17.6086 23.0378 -25.761 -8.23496 17.6085 -8.23489 -12.4606 GPRESSAVG: 4329400 3.10206 24.4877 18.4479 24.6842 -25.2167 -10.0927 16.6605 -7.58788 -12.5373 TIMING: 4329400 CPU: 12861.8, 0.00290624/step Wall: 12861.8, 0.00290624/step, 0.541368 hours remaining, 209.320312 MB of memory in use. ENERGY: 4329400 737.6617 2083.0475 1954.6702 115.2231 -206075.8470 17935.8954 0.0000 0.0000 34370.6476 -148878.7014 300.1674 -183249.3491 -148777.4372 300.4547 74.2517 108.0266 557668.1095 -11.5382 -11.5507 PRESSURE: 4329600 159.476 -71.3952 50.6428 -71.3951 105.813 196.393 50.6421 196.394 78.5589 GPRESSURE: 4329600 163.209 -105.126 64.9106 -130.677 166.394 173.369 47.9797 83.3695 107.706 PRESSAVG: 4329600 -5.88497 -23.8245 57.0415 -23.8245 18.6682 -25.5135 57.0417 -25.5136 -32.4007 GPRESSAVG: 4329600 -5.51466 -24.0719 58.9694 -26.1388 18.4546 -23.3053 56.7233 -26.1466 -32.6561 TIMING: 4329600 CPU: 12862.4, 0.00291447/step Wall: 12862.4, 0.00291447/step, 0.542739 hours remaining, 209.320312 MB of memory in use. ENERGY: 4329600 756.6524 2135.7115 1936.1895 107.7715 -206123.1465 17938.5925 0.0000 0.0000 34412.3257 -148835.9034 300.5314 -183248.2291 -148737.9737 300.6901 114.6160 145.7696 558439.6324 -6.5391 -6.5720 PRESSURE: 4329800 67.1912 8.0025 81.9006 8.00302 43.2603 -58.8871 81.9004 -58.8856 -29.4574 GPRESSURE: 4329800 147.84 52.3316 36.7247 -84.5645 72.3194 -27.7407 68.0459 -96.4009 -33.5466 PRESSAVG: 4329800 -47.2104 -19.3689 -32.0623 -19.3689 12.6788 5.10863 -32.0622 5.10876 30.9959 GPRESSAVG: 4329800 -46.9798 -19.3694 -35.1153 -18.0796 12.4868 4.8151 -31.5607 5.60349 31.0564 TIMING: 4329800 CPU: 12863, 0.00291205/step Wall: 12863, 0.00291205/step, 0.542127 hours remaining, 209.320312 MB of memory in use. ENERGY: 4329800 748.1565 2074.3344 1926.2730 117.1197 -206427.4763 18010.2072 0.0000 0.0000 34539.8208 -149011.5647 301.6448 -183551.3855 -148907.0270 299.7475 26.9981 62.2042 557814.3618 -1.1786 -1.1455 PRESSURE: 4330000 -179.978 37.0136 -47.7379 37.0144 -332.309 -41.5424 -47.7385 -41.5415 5.95921 GPRESSURE: 4330000 -108.635 118.821 -31.9997 11.2299 -338.556 -38.7834 -100.88 -56.4564 32.3819 PRESSAVG: 4330000 -34.5409 -64.8992 2.96225 -64.8991 42.0261 19.7098 2.96224 19.7098 34.2489 GPRESSAVG: 4330000 -34.0591 -66.2242 5.27097 -65.6836 41.1333 17.8602 1.35986 21.3375 35.2967 TIMING: 4330000 CPU: 12863.6, 0.00291036/step Wall: 12863.6, 0.00291036/step, 0.54165 hours remaining, 209.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4330000 737.7766 2149.1208 1905.3330 120.9348 -205738.2607 17539.4301 0.0000 0.0000 34389.5207 -148896.1449 300.3322 -183285.6655 -148797.8442 300.2884 -168.7761 -138.2697 558550.1573 13.9113 14.1236 PRESSURE: 4330200 -101.969 -132.586 21.6084 -132.586 -335.168 -136.648 21.6087 -136.649 164.32 GPRESSURE: 4330200 -66.0532 -148.313 2.28254 -123.355 -331.229 -189.911 79.9977 -57.4624 233.555 PRESSAVG: 4330200 11.439 5.20916 2.91729 5.20916 -112.352 -32.9778 2.9173 -32.9777 101.25 GPRESSAVG: 4330200 10.0079 5.89367 1.62617 5.63122 -110.873 -31.0316 5.24884 -34.8567 101.001 TIMING: 4330200 CPU: 12864.2, 0.00291973/step Wall: 12864.2, 0.00291973/step, 0.543232 hours remaining, 209.320312 MB of memory in use. ENERGY: 4330200 779.2959 2135.5892 1951.1754 106.5882 -206063.4677 17735.7249 0.0000 0.0000 34431.5332 -148923.5609 300.6991 -183355.0941 -148831.4334 300.2502 -90.9393 -54.5758 557909.0408 0.1124 0.0453 PRESSURE: 4330400 -83.0842 -91.2005 -70.7165 -91.2008 104.207 -11.0986 -70.7179 -11.1005 -135.207 GPRESSURE: 4330400 -97.9358 -56.713 -89.8265 -43.9254 114.693 -114.085 -116.028 142.451 -38.4529 PRESSAVG: 4330400 23.5572 -10.5276 -4.03399 -10.5276 -13.7872 -30.6598 -4.03406 -30.6599 -15.5347 GPRESSAVG: 4330400 22.6138 -10.7693 -3.51705 -8.8955 -14.0795 -31.5431 -3.84136 -28.3351 -15.0353 TIMING: 4330400 CPU: 12864.8, 0.00293439/step Wall: 12864.8, 0.00293439/step, 0.545796 hours remaining, 209.320312 MB of memory in use. ENERGY: 4330400 777.5879 2082.2507 1951.9755 115.8844 -205889.2052 17731.1744 0.0000 0.0000 34301.6758 -148928.6566 299.5651 -183230.3323 -148834.8251 300.4886 -38.0278 -7.2318 557324.7624 -1.9215 -2.1670 PRESSURE: 4330600 196.557 6.22283 168.776 6.22278 149.351 178.432 168.775 178.432 -78.1415 GPRESSURE: 4330600 250.515 36.0752 110.226 -49.5171 149.003 51.9288 188.239 167.283 -31.3719 PRESSAVG: 4330600 -3.75183 24.7475 -20.8688 24.7475 -50.3909 57.4218 -20.8688 57.4218 37.793 GPRESSAVG: 4330600 -2.78998 23.1507 -19.2034 24.7935 -50.3899 57.2849 -21.4122 55.7428 37.2138 TIMING: 4330600 CPU: 12865.3, 0.0029518/step Wall: 12865.3, 0.0029518/step, 0.54887 hours remaining, 209.320312 MB of memory in use. ENERGY: 4330600 764.5502 2086.9604 1954.1166 108.0794 -206059.7938 18022.9884 0.0000 0.0000 34315.0894 -148808.0094 299.6822 -183123.0987 -148708.5361 299.8541 89.2555 122.7156 557240.6535 -5.4499 -5.3220 PRESSURE: 4330800 -80.1878 94.6625 -40.0887 94.6625 27.696 74.1527 -40.0888 74.1506 69.4298 GPRESSURE: 4330800 -87.2882 92.8521 -102.445 140.862 95.7232 84.8748 7.7846 -39.9012 116.385 PRESSAVG: 4330800 19.0825 13.2935 5.38989 13.2935 29.1077 53.4737 5.3899 53.4738 -96.3187 GPRESSAVG: 4330800 19.5198 15.5067 2.19181 11.2437 28.8269 53.5542 5.69621 52.6344 -96.3863 TIMING: 4330800 CPU: 12865.9, 0.00294095/step Wall: 12865.9, 0.00294095/step, 0.546689 hours remaining, 209.320312 MB of memory in use. ENERGY: 4330800 707.3470 2140.7014 1949.5574 117.8106 -205995.1006 17846.5987 0.0000 0.0000 34296.1256 -148936.9599 299.5166 -183233.0855 -148836.5150 300.2602 5.6460 41.6067 558139.8020 -16.0429 -16.0132 PRESSURE: 4331000 299.112 -125.167 -45.6776 -125.168 111.9 24.1936 -45.676 24.1932 90.6346 GPRESSURE: 4331000 344.309 -100.64 -8.4128 -122.748 111.314 7.06147 -157.05 45.3744 136.369 PRESSAVG: 4331000 2.25022 20.534 -59.1624 20.534 -21.2656 -12.11 -59.1625 -12.11 0.296649 GPRESSAVG: 4331000 0.722104 21.5955 -58.4421 22.7917 -20.1636 -12.7799 -60.0828 -12.5452 0.881123 TIMING: 4331000 CPU: 12866.5, 0.0029363/step Wall: 12866.5, 0.0029363/step, 0.545663 hours remaining, 209.320312 MB of memory in use. ENERGY: 4331000 725.8077 2106.7262 1937.5152 112.8964 -206632.0618 18192.7689 0.0000 0.0000 34586.5939 -148969.7534 302.0533 -183556.3473 -148878.4714 300.1967 167.2154 197.3305 557411.4331 -6.2396 -6.1868 PRESSURE: 4331200 -20.1512 -98.6236 -0.783893 -98.622 -233.46 52.971 -0.783679 52.9726 -50.6884 GPRESSURE: 4331200 30.2579 -134.266 -2.72818 -105.222 -239.232 28.8776 41.7906 94.9488 -1.28865 PRESSAVG: 4331200 7.93296 -29.1113 -5.97155 -29.1112 1.83352 69.108 -5.97146 69.108 0.190999 GPRESSAVG: 4331200 9.82115 -30.6459 -3.88098 -30.6676 0.369444 71.0897 -7.47882 69.417 -0.392325 TIMING: 4331200 CPU: 12867.1, 0.00293949/step Wall: 12867.1, 0.00293949/step, 0.546091 hours remaining, 209.320312 MB of memory in use. ENERGY: 4331200 718.5449 2096.7991 1955.2459 116.1877 -205911.8446 17631.2284 0.0000 0.0000 34454.1569 -148939.6817 300.8967 -183393.8386 -148839.0784 300.0291 -101.4333 -70.0877 558695.6938 3.3192 3.2661 PRESSURE: 4331400 203.117 -24.7462 30.2226 -24.7456 318.679 65.9091 30.2225 65.9098 193.032 GPRESSURE: 4331400 239.166 -27.1792 66.3307 18.0954 358.064 26.6401 -38.293 31.7847 203.667 PRESSAVG: 4331400 -42.0586 -37.6527 -31.3822 -37.6527 -15.4718 -39.5362 -31.3822 -39.5361 11.0747 GPRESSAVG: 4331400 -43.1751 -36.0262 -32.4414 -38.1465 -13.8482 -41.8592 -28.3786 -40.1699 10.6566 TIMING: 4331400 CPU: 12867.7, 0.00295535/step Wall: 12867.7, 0.00295535/step, 0.548875 hours remaining, 209.320312 MB of memory in use. ENERGY: 4331400 722.4190 2085.6635 1923.5612 109.3327 -206517.2932 18285.5807 0.0000 0.0000 34347.8889 -149042.8471 299.9687 -183390.7360 -148940.6900 299.9898 238.2760 266.9655 556841.1340 -15.4852 -15.4556 PRESSURE: 4331600 -410.795 -180.951 172.189 -180.952 -189.8 58.3428 172.189 58.3435 -152.489 GPRESSURE: 4331600 -334.425 -174.601 227.185 -89.1473 -137.406 -8.81453 107.976 35.793 -168.135 PRESSAVG: 4331600 -32.5614 -66.0316 15.448 -66.0316 64.5773 -54.1497 15.4481 -54.1497 3.88617 GPRESSAVG: 4331600 -31.8774 -65.8834 15.3418 -65.5526 64.2297 -52.1718 15.4202 -53.9387 4.09071 TIMING: 4331600 CPU: 12868.3, 0.00295539/step Wall: 12868.3, 0.00295539/step, 0.548717 hours remaining, 209.320312 MB of memory in use. ENERGY: 4331600 747.8959 2148.7419 1915.4523 118.4022 -205907.2927 17609.2741 0.0000 0.0000 34440.6499 -148926.8764 300.7788 -183367.5263 -148834.6022 299.3643 -251.0279 -213.3222 559185.8762 11.9674 12.1476 PRESSURE: 4331800 -136.935 90.9065 91.7037 90.9065 -48.2365 -194.445 91.703 -194.444 -214.97 GPRESSURE: 4331800 -136.399 121.395 89.833 60.5794 -24.8725 -239.023 30.5348 -206.447 -139.386 PRESSAVG: 4331800 -22.5038 -27.4675 7.23685 -27.4675 32.4274 -57.4892 7.23685 -57.4892 -7.45608 GPRESSAVG: 4331800 -23.2196 -27.295 8.48698 -27.9201 32.064 -58.4921 5.73947 -55.0654 -6.37788 TIMING: 4331800 CPU: 12868.9, 0.00294995/step Wall: 12868.9, 0.00294995/step, 0.547544 hours remaining, 209.320312 MB of memory in use. ENERGY: 4331800 740.1380 2087.0835 1923.0173 104.9596 -205942.1739 17657.1350 0.0000 0.0000 34374.1824 -149055.6582 300.1983 -183429.8406 -148957.9914 299.8774 -133.3804 -100.2190 558674.0060 0.8225 0.8221 PRESSURE: 4332000 -97.3167 -177.726 -159.108 -177.727 118.739 19.7984 -159.107 19.7996 44.4155 GPRESSURE: 4332000 -27.2744 -190.411 -216.115 -160.597 120.605 -46.8822 -164.557 43.1786 57.6841 PRESSAVG: 4332000 -18.7794 -30.8738 7.40272 -30.8739 55.7857 -30.5174 7.40271 -30.5174 -47.927 GPRESSAVG: 4332000 -18.0109 -32.5608 7.65615 -27.834 55.9764 -30.544 7.68418 -29.772 -49.1389 TIMING: 4332000 CPU: 12869.5, 0.00295824/step Wall: 12869.5, 0.00295824/step, 0.548918 hours remaining, 209.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4332000 728.4647 2106.6757 1940.4829 111.2330 -206016.5532 17830.1862 0.0000 0.0000 34391.6160 -148907.8946 300.3505 -183299.5107 -148812.5023 299.6165 21.9458 50.3383 558547.3596 -3.6402 -3.7244 PRESSURE: 4332200 423.264 -44.5491 45.0574 -44.5503 161.354 -180.833 45.057 -180.834 261.573 GPRESSURE: 4332200 400.542 -13.9302 20.7604 -48.1329 215.485 -227.837 66.6675 -144.518 326.384 PRESSAVG: 4332200 24.6002 -10.5831 -23.936 -10.5831 36.1562 -15.5941 -23.9361 -15.5942 -26.7184 GPRESSAVG: 4332200 25.0267 -10.9213 -24.5506 -10.2847 35.9325 -16.3402 -23.058 -18.7775 -26.5451 TIMING: 4332200 CPU: 12870.1, 0.00293355/step Wall: 12870.1, 0.00293355/step, 0.544174 hours remaining, 209.320312 MB of memory in use. ENERGY: 4332200 717.5307 2038.2609 1937.6904 102.0778 -206160.8190 18058.8711 0.0000 0.0000 34350.5659 -148955.8222 299.9920 -183306.3881 -148857.9570 299.9869 282.0637 314.1369 556959.5544 11.3460 11.4714 LDB: ============= START OF LOAD BALANCING ============== 12873.6 LDB: ============== END OF LOAD BALANCING =============== 12873.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12873.6 LDB: ============= START OF LOAD BALANCING ============== 12873.9 LDB: Largest compute 4772 load 0.022075 is 18.7% of average load 0.118217 LDB: Average compute 0.001732 is 1.5% of average load 0.118217 LDB: TIME 12873.9 LOAD: AVG 0.118217 MAX 0.197987 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.84 MB LDB: TIME 12873.9 LOAD: AVG 0.118217 MAX 0.197987 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.84 MB LDB: TIME 12873.9 LOAD: AVG 0.118217 MAX 0.197987 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.84 MB LDB: ============== END OF LOAD BALANCING =============== 12873.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12873.9 PRESSURE: 4332400 -19.1179 -50.0602 -129.84 -50.0605 -202.395 42.6874 -129.839 42.6853 110.086 GPRESSURE: 4332400 93.0837 -50.239 -178.85 -48.6741 -212.703 -42.8702 -130.206 28.8922 96.0759 PRESSAVG: 4332400 63.8966 32.464 38.6039 32.464 -11.3744 -50.0668 38.6039 -50.0667 -36.0132 GPRESSAVG: 4332400 63.1393 32.9691 38.9673 31.6322 -10.156 -49.7249 40.023 -50.2959 -36.5965 TIMING: 4332400 CPU: 12870.7, 0.00300399/step Wall: 12870.7, 0.00300399/step, 0.557074 hours remaining, 207.328125 MB of memory in use. ENERGY: 4332400 726.6437 2092.0523 1941.5218 123.3640 -205470.2223 17390.5062 0.0000 0.0000 34204.3595 -148991.7748 298.7152 -183196.1343 -148898.5218 299.5045 -37.1424 -7.8479 557621.0772 5.5030 5.4623 PRESSURE: 4332600 24.8691 106.241 163.182 106.241 -115.089 7.62045 163.184 7.62011 -95.5391 GPRESSURE: 4332600 90.8864 123.69 219.438 156.278 -80.5778 -24.5747 154.045 -38.1804 -102.344 PRESSAVG: 4332600 29.9855 31.9712 44.1997 31.9712 -65.824 -33.138 44.1997 -33.1381 34.6147 GPRESSAVG: 4332600 30.6008 32.7664 44.7048 30.7535 -66.9411 -30.4846 41.937 -32.2155 34.5711 TIMING: 4332600 CPU: 12871.3, 0.00294251/step Wall: 12871.3, 0.00294251/step, 0.545508 hours remaining, 207.328125 MB of memory in use. ENERGY: 4332600 723.8929 2024.3138 1957.2674 113.7028 -205804.8226 17654.2225 0.0000 0.0000 34350.2575 -148981.1657 299.9893 -183331.4232 -148884.8423 299.1309 -61.9198 -30.6786 557869.9692 -0.4079 -0.5897 PRESSURE: 4332800 -6.52999 -35.1968 25.9862 -35.1984 -156.102 -145.89 25.9878 -145.89 -102.25 GPRESSURE: 4332800 29.6755 -81.296 -49.5411 84.32 -116.913 -154.041 37.2041 -58.7663 -63.7717 PRESSAVG: 4332800 54.7444 -44.7977 57.3729 -44.7978 3.16493 -44.6737 57.3729 -44.6736 -12.3558 GPRESSAVG: 4332800 54.6533 -47.1879 55.3033 -43.8917 3.52733 -45.8679 59.8052 -46.0593 -12.3003 TIMING: 4332800 CPU: 12871.8, 0.00292966/step Wall: 12871.8, 0.00292966/step, 0.542964 hours remaining, 207.328125 MB of memory in use. ENERGY: 4332800 744.4504 1985.8018 1930.7035 100.4667 -205659.1487 17434.4856 0.0000 0.0000 34471.2152 -148992.0255 301.0457 -183463.2407 -148890.1386 299.9864 -88.2938 -50.3363 556882.1014 15.1845 15.2935 PRESSURE: 4333000 -396.601 -134.176 -0.514961 -134.176 -233.598 -158.381 -0.514914 -158.379 -275.918 GPRESSURE: 4333000 -353.396 -85.7397 60.9019 -44.7277 -226.234 -155.278 -48.8462 -137.806 -226.518 PRESSAVG: 4333000 15.2754 23.2836 8.88373 23.2836 48.0174 -64.5663 8.88378 -64.5664 -70.3598 GPRESSAVG: 4333000 14.2381 25.4097 9.06968 23.3556 48.7014 -64.534 7.27266 -61.8217 -70.015 TIMING: 4333000 CPU: 12872.4, 0.00294961/step Wall: 12872.4, 0.00294961/step, 0.546497 hours remaining, 207.328125 MB of memory in use. ENERGY: 4333000 776.4600 2012.5559 1939.8280 110.3803 -205345.5667 17372.3525 0.0000 0.0000 34235.0906 -148898.8993 298.9836 -183133.9899 -148806.3799 300.3158 -302.0389 -268.7159 558994.5471 -2.3557 -2.3585 PRESSURE: 4333200 -413.882 -116.249 221.051 -116.248 177.286 -19.2525 221.051 -19.2529 80.6519 GPRESSURE: 4333200 -383.516 -174.583 284.887 52.2117 145.825 22.1777 200.825 -25.8608 177.101 PRESSAVG: 4333200 -35.3778 27.7538 57.1179 27.7538 39.395 9.45712 57.1179 9.45702 -5.83192 GPRESSAVG: 4333200 -34.6118 26.6748 58.3241 28.4253 38.2259 10.1996 55.6996 6.74359 -4.97262 TIMING: 4333200 CPU: 12873, 0.00293356/step Wall: 12873, 0.00293356/step, 0.543361 hours remaining, 207.328125 MB of memory in use. ENERGY: 4333200 780.5482 2093.4178 1922.1106 114.1769 -205588.5926 17633.5539 0.0000 0.0000 34161.8212 -148882.9640 298.3437 -183044.7852 -148792.0337 300.0363 -51.9813 -20.1963 557602.2210 -0.6049 -0.4528 PRESSURE: 4333400 -46.8748 -61.4599 -20.8746 -61.4587 -87.8364 -58.4526 -20.8746 -58.4528 -340.469 GPRESSURE: 4333400 -21.2352 -111.677 -18.8193 -11.779 -94.2079 -75.359 51.0209 -32.9308 -264.078 PRESSAVG: 4333400 -49.7262 34.4065 -11.2598 34.4065 14.0599 27.874 -11.2598 27.874 8.19697 GPRESSAVG: 4333400 -50.486 33.9384 -11.4222 35.9852 14.8158 26.8207 -8.55873 29.676 7.9685 TIMING: 4333400 CPU: 12873.6, 0.00293953/step Wall: 12873.6, 0.00293953/step, 0.544304 hours remaining, 207.328125 MB of memory in use. ENERGY: 4333400 726.1288 2039.1475 1944.5998 95.9070 -205542.0272 17464.2223 0.0000 0.0000 34323.4588 -148948.5631 299.7553 -183272.0218 -148845.7150 299.9263 -158.3935 -126.5071 557947.6117 -9.1564 -9.2339 PRESSURE: 4333600 22.9842 64.8851 132.062 64.8846 -132.912 245.699 132.062 245.699 44.3903 GPRESSURE: 4333600 -1.29238 56.5269 186.254 10.5316 -42.3797 319.735 110.631 217.178 83.771 PRESSAVG: 4333600 54.3409 -18.159 13.4955 -18.1589 -20.3801 6.92956 13.4954 6.92959 -5.63551 GPRESSAVG: 4333600 55.0348 -16.2313 12.2203 -21.2378 -21.0071 7.23575 14.1838 7.17454 -5.80546 TIMING: 4333600 CPU: 12874.2, 0.00293823/step Wall: 12874.2, 0.00293823/step, 0.5439 hours remaining, 207.328125 MB of memory in use. ENERGY: 4333600 779.9058 2012.2963 1921.9152 113.3566 -205966.3553 17767.1320 0.0000 0.0000 34472.5985 -148899.1508 301.0578 -183371.7494 -148803.3023 300.7539 -21.8458 13.3663 557236.8567 9.4417 9.4074 PRESSURE: 4333800 -110.051 79.7234 39.9755 79.7233 -30.3578 -70.7825 39.9742 -70.7823 93.8421 GPRESSURE: 4333800 -58.582 161.04 -2.57083 24.3346 -12.6028 -104.568 49.6263 -70.7322 133.363 PRESSAVG: 4333800 -5.47463 -0.401512 0.402852 -0.401521 29.0117 -35.8535 0.402848 -35.8535 -28.949 GPRESSAVG: 4333800 -6.2904 -0.539576 -0.0370077 -0.526818 29.5608 -35.6266 -1.80093 -36.1178 -28.7391 TIMING: 4333800 CPU: 12874.8, 0.00296318/step Wall: 12874.8, 0.00296318/step, 0.548354 hours remaining, 207.328125 MB of memory in use. ENERGY: 4333800 766.0011 2093.1483 1925.5641 121.7934 -205631.4930 17654.2773 0.0000 0.0000 34226.0529 -148844.6560 298.9046 -183070.7089 -148753.1544 300.4902 -15.5223 20.7261 557327.4536 -1.8040 -1.8229 PRESSURE: 4334000 -42.8225 -267.533 -66.8514 -267.533 50.6176 25.9268 -66.8511 25.9264 -92.6703 GPRESSURE: 4334000 -52.7971 -188.053 -78.6881 -306.085 82.0797 -6.6351 -22.3029 60.2606 -6.2794 PRESSAVG: 4334000 40.3214 23.4675 3.7841 23.4675 8.16889 -32.3186 3.78419 -32.3185 -21.8945 GPRESSAVG: 4334000 41.9052 23.0424 2.87063 22.5811 7.07551 -33.4607 6.18738 -32.3204 -22.3543 TIMING: 4334000 CPU: 12875.4, 0.00293809/step Wall: 12875.4, 0.00293809/step, 0.543546 hours remaining, 207.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4334000 731.1167 1991.8187 1923.9935 111.9741 -206066.0157 17781.0491 0.0000 0.0000 34737.9203 -148788.1434 303.3749 -183526.0637 -148690.7085 300.2988 -28.2917 7.6677 558389.9652 8.8653 8.8755 PRESSURE: 4334200 241.965 271.422 132.859 271.422 186.681 -57.9983 132.859 -57.9987 181.206 GPRESSURE: 4334200 298.293 334.813 82.2849 214.395 187.12 -20.531 106.158 1.00477 221.462 PRESSAVG: 4334200 77.5236 13.0434 -25.8447 13.0433 -28.9802 -7.8823 -25.8447 -7.88239 -43.3305 GPRESSAVG: 4334200 77.3456 12.6946 -24.5568 14.3392 -28.8529 -8.38849 -23.6891 -6.89439 -43.1598 TIMING: 4334200 CPU: 12876, 0.00292296/step Wall: 12876, 0.00292296/step, 0.540586 hours remaining, 207.328125 MB of memory in use. ENERGY: 4334200 752.5129 2075.8600 1958.2765 114.4406 -206057.1589 17921.1447 0.0000 0.0000 34336.1054 -148898.8188 299.8657 -183234.9242 -148806.8632 300.9102 203.2841 235.6251 557515.2950 1.7376 1.7777 PRESSURE: 4334400 452.598 15.2359 32.5713 15.2372 171.342 -63.9657 32.5713 -63.9647 7.23398 GPRESSURE: 4334400 440.997 44.3299 9.13039 -4.80363 231.843 -115.801 81.5948 -92.1604 47.4131 PRESSAVG: 4334400 66.7528 46.6735 74.5605 46.6734 14.3359 -11.8317 74.5606 -11.8317 -52.8665 GPRESSAVG: 4334400 67.7828 48.4317 77.0592 44.3888 13.6078 -9.77589 70.2572 -11.7366 -52.4928 TIMING: 4334400 CPU: 12876.5, 0.00294342/step Wall: 12876.5, 0.00294342/step, 0.544206 hours remaining, 207.328125 MB of memory in use. ENERGY: 4334400 718.2653 2046.3845 1933.5162 113.8074 -206452.9767 18090.2061 0.0000 0.0000 34688.2390 -148862.5581 302.9410 -183550.7972 -148768.3862 300.3296 210.3913 240.0844 557181.1638 9.4074 9.6326 PRESSURE: 4334600 -23.4369 -120.364 70.9698 -120.363 -76.4037 -173.359 70.9725 -173.359 -405.77 GPRESSURE: 4334600 19.8063 -41.696 22.5129 -233.06 -48.7596 -132.437 86.4028 -155.527 -383.191 PRESSAVG: 4334600 43.2605 -31.6649 14.0571 -31.6649 -38.0345 -25.9245 14.0571 -25.9244 -71.3833 GPRESSAVG: 4334600 43.3491 -33.2475 10.6208 -31.152 -37.7713 -25.3585 16.0216 -27.6741 -71.6348 TIMING: 4334600 CPU: 12877.1, 0.0029476/step Wall: 12877.1, 0.0029476/step, 0.544815 hours remaining, 207.328125 MB of memory in use. ENERGY: 4334600 720.9334 2093.9167 1939.8009 118.2455 -205660.9419 17480.8170 0.0000 0.0000 34479.4875 -148827.7409 301.1179 -183307.2283 -148733.9105 300.2244 -168.5368 -137.3813 558617.9872 -22.0524 -22.0190 PRESSURE: 4334800 -129.283 39.7459 -63.3342 39.7458 -171.478 190.323 -63.3335 190.323 -265.841 GPRESSURE: 4334800 -120.09 23.5788 -109.847 54.9476 -174.714 116.313 -36.0416 198.462 -177.201 PRESSAVG: 4334800 -47.6105 3.03515 -49.331 3.03507 82.779 -5.42611 -49.331 -5.42606 -17.5545 GPRESSAVG: 4334800 -48.1188 2.72219 -47.7633 3.16504 82.9983 -8.38054 -49.3527 -4.58903 -17.1285 TIMING: 4334800 CPU: 12877.7, 0.0029227/step Wall: 12877.7, 0.0029227/step, 0.54005 hours remaining, 207.328125 MB of memory in use. ENERGY: 4334800 718.0338 2077.7770 1974.3446 110.0953 -205587.4620 17465.4665 0.0000 0.0000 34449.5246 -148792.2201 300.8563 -183241.7447 -148692.5175 300.4119 -188.8673 -157.3353 559213.4689 5.8714 5.9170 PRESSURE: 4335000 -172.636 -86.5462 102.622 -86.5469 -120.105 12.8 102.621 12.8001 -65.258 GPRESSURE: 4335000 -193.191 -191.261 106.483 -44.8077 -58.8567 21.0806 84.7465 3.68009 -4.06451 PRESSAVG: 4335000 -4.2677 6.37594 57.8911 6.37592 14.8657 -27.8803 57.891 -27.8803 10.0918 GPRESSAVG: 4335000 -3.9449 4.2642 57.8585 9.77389 16.013 -26.3972 57.2517 -27.7431 9.3881 TIMING: 4335000 CPU: 12878.3, 0.00293426/step Wall: 12878.3, 0.00293426/step, 0.542023 hours remaining, 207.328125 MB of memory in use. ENERGY: 4335000 727.8341 2090.7365 1945.0450 112.1963 -205517.1965 17538.6772 0.0000 0.0000 34237.5503 -148865.1571 299.0050 -183102.7074 -148768.0916 299.5595 -119.3332 -85.3707 558239.9479 6.8966 7.1521 PRESSURE: 4335200 210.802 108.104 -38.2445 108.103 -40.1193 86.136 -38.2455 86.1365 -360.655 GPRESSURE: 4335200 266.629 103.705 -23.563 166.044 -60.251 102.095 -67.2239 5.14556 -300.236 PRESSAVG: 4335200 58.9006 11.141 32.6073 11.141 -22.6318 -14.0096 32.6074 -14.0096 -4.54311 GPRESSAVG: 4335200 58.8163 14.1594 31.171 7.95077 -22.5431 -14.9164 33.186 -14.5827 -4.24358 TIMING: 4335200 CPU: 12878.9, 0.00293345/step Wall: 12878.9, 0.00293345/step, 0.54171 hours remaining, 207.328125 MB of memory in use. ENERGY: 4335200 736.5530 2092.0618 1941.2463 102.8496 -205699.8544 17566.6840 0.0000 0.0000 34293.3344 -148967.1252 299.4922 -183260.4596 -148867.0956 299.4197 -63.3242 -31.2861 558060.1875 10.5752 10.6766 PRESSURE: 4335400 -212.827 -5.26891 -62.4368 -5.26921 -100.049 192.584 -62.4357 192.584 -107.446 GPRESSURE: 4335400 -202.333 -61.6237 -61.058 20.9162 -34.5582 176.579 -158.601 172.69 -82.1978 PRESSAVG: 4335400 37.8266 27.7634 -25.7099 27.7635 -59.4918 18.7537 -25.7098 18.7537 -11.3935 GPRESSAVG: 4335400 38.3639 27.9933 -24.2049 28.3151 -60.0647 17.0787 -27.251 19.1185 -11.1318 TIMING: 4335400 CPU: 12879.5, 0.00294182/step Wall: 12879.5, 0.00294182/step, 0.543092 hours remaining, 207.328125 MB of memory in use. ENERGY: 4335400 770.9997 2053.3917 1943.3471 109.2701 -205770.8862 17652.1930 0.0000 0.0000 34291.4943 -148950.1903 299.4761 -183241.6846 -148856.9311 299.2829 -140.1074 -106.3631 558982.0790 -11.0195 -10.9442 PRESSURE: 4335600 -116.644 15.6651 55.0423 15.6655 251.289 162.311 55.0421 162.311 -228.486 GPRESSURE: 4335600 -106.481 -73.3315 13.6272 56.8132 231 86.3239 130.386 167.521 -118.929 PRESSAVG: 4335600 -41.1766 8.49182 21.1495 8.49198 67.5327 30.4959 21.1495 30.4959 9.99943 GPRESSAVG: 4335600 -41.6846 7.97357 19.1301 8.74556 67.7936 31.1228 23.8377 30.6051 10.2771 TIMING: 4335600 CPU: 12880.1, 0.00296853/step Wall: 12880.1, 0.00296853/step, 0.547858 hours remaining, 207.328125 MB of memory in use. ENERGY: 4335600 721.9137 2054.6869 1932.5402 106.7013 -205586.8849 17526.6817 0.0000 0.0000 34377.0709 -148867.2902 300.2235 -183244.3611 -148777.3151 300.0953 -31.2800 1.8637 557901.0346 12.1185 12.1287 PRESSURE: 4335800 107.286 -74.6325 -97.5286 -74.6331 -166.349 -12.1191 -97.528 -12.1188 -142.426 GPRESSURE: 4335800 146.598 -92.1675 -7.34506 -43.809 -108.614 -120.272 -20.9137 51.4521 -137.26 PRESSAVG: 4335800 -23.1214 -34.6835 67.2756 -34.6836 89.6733 -2.96607 67.2757 -2.9661 -0.476675 GPRESSAVG: 4335800 -22.5297 -34.0111 68.2043 -32.6713 89.7976 -5.67944 66.0395 -1.7104 -1.14403 TIMING: 4335800 CPU: 12880.7, 0.00298451/step Wall: 12880.7, 0.00298451/step, 0.550641 hours remaining, 207.328125 MB of memory in use. ENERGY: 4335800 724.5596 2041.4022 1953.2610 116.8535 -205350.8819 17426.7560 0.0000 0.0000 34262.9136 -148825.1359 299.2265 -183088.0496 -148727.1548 299.9831 -67.1632 -33.0921 558183.6879 22.0251 22.0413 PRESSURE: 4336000 -58.3837 -51.6089 -9.06394 -51.6096 -408.004 147.901 -9.06369 147.9 -114.04 GPRESSURE: 4336000 -64.2437 12.7385 -47.5604 -63.0088 -342.976 157.03 -55.569 127.5 -72.9471 PRESSAVG: 4336000 4.95202 19.19 0.00366555 19.19 -40.5576 58.7781 0.00370771 58.778 29.5452 GPRESSAVG: 4336000 4.99875 17.8824 2.58586 19.6894 -41.1276 64.1802 -1.07517 56.4666 29.9711 TIMING: 4336000 CPU: 12881.3, 0.00297774/step Wall: 12881.3, 0.00297774/step, 0.549227 hours remaining, 207.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4336000 782.8325 2041.7567 1934.9965 118.4819 -205810.3123 17578.3916 0.0000 0.0000 34422.4467 -148931.4066 300.6198 -183353.8532 -148834.5190 299.9322 -193.4759 -160.0555 558322.4611 -2.0201 -2.0526 PRESSURE: 4336200 -190.625 -98.0806 89.9675 -98.0827 -198.201 -189.395 89.9668 -189.395 -243.62 GPRESSURE: 4336200 -118.395 -2.47221 147.902 -59.227 -166.836 -286.965 51.3678 -120.891 -253.639 PRESSAVG: 4336200 58.7287 -53.5433 0.781293 -53.5433 -21.0204 -23.1256 0.781313 -23.1256 -27.9034 GPRESSAVG: 4336200 57.8431 -52.2798 -0.739252 -54.7238 -19.6749 -24.6448 1.5716 -22.0787 -28.6909 TIMING: 4336200 CPU: 12881.9, 0.00296729/step Wall: 12881.9, 0.00296729/step, 0.547136 hours remaining, 207.328125 MB of memory in use. ENERGY: 4336200 732.8102 2053.8581 1954.6300 106.7980 -206058.8662 17673.0237 0.0000 0.0000 34461.9540 -149075.7922 300.9648 -183537.7463 -148976.1134 300.0713 -210.8154 -179.6235 558513.2685 3.2683 3.1591 LDB: ============= START OF LOAD BALANCING ============== 12885.4 LDB: ============== END OF LOAD BALANCING =============== 12885.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12885.4 LDB: ============= START OF LOAD BALANCING ============== 12885.7 LDB: Largest compute 4801 load 0.021419 is 18.1% of average load 0.118254 LDB: Average compute 0.001731 is 1.5% of average load 0.118254 LDB: TIME 12885.7 LOAD: AVG 0.118254 MAX 0.198924 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.84 MB LDB: TIME 12885.7 LOAD: AVG 0.118254 MAX 0.198924 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.84 MB LDB: TIME 12885.7 LOAD: AVG 0.118254 MAX 0.198924 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.84 MB LDB: ============== END OF LOAD BALANCING =============== 12885.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12885.7 PRESSURE: 4336400 129.948 178.064 72.9478 178.064 -21.875 44.466 72.9462 44.466 66.1489 GPRESSURE: 4336400 104.015 198.707 97.9691 88.5472 68.1979 92.4072 30.6178 16.3917 108.239 PRESSAVG: 4336400 -22.9947 -0.618833 -31.9779 -0.61878 -0.458072 37.9321 -31.9779 37.9321 27.033 GPRESSAVG: 4336400 -21.9432 -0.866884 -34.1405 0.825817 -1.74176 38.53 -31.3152 37.5336 27.3772 TIMING: 4336400 CPU: 12882.5, 0.00301943/step Wall: 12882.5, 0.00301943/step, 0.556581 hours remaining, 211.660156 MB of memory in use. ENERGY: 4336400 746.6657 2074.8192 1949.1021 117.0095 -206185.7430 17859.6256 0.0000 0.0000 34390.4974 -149048.0235 300.3408 -183438.5209 -148954.4576 299.7517 58.0738 93.4839 556844.4990 1.1934 1.2308 PRESSURE: 4336600 -207.544 72.3077 10.3408 72.307 -38.9111 151.955 10.3403 151.953 -300.601 GPRESSURE: 4336600 -138.774 45.6192 -28.4956 41.6559 -66.4089 206.172 -23.7885 114.97 -250.338 PRESSAVG: 4336600 0.947217 -0.717521 1.25914 -0.717532 15.3416 10.1272 1.25907 10.1273 -22.2066 GPRESSAVG: 4336600 0.418601 0.194179 4.41286 -3.70947 15.6348 9.0907 -1.02299 10.0897 -21.7371 TIMING: 4336600 CPU: 12883.1, 0.0029643/step Wall: 12883.1, 0.0029643/step, 0.546254 hours remaining, 211.863281 MB of memory in use. ENERGY: 4336600 741.0585 2120.9696 1953.8634 123.1044 -205792.5523 17487.6689 0.0000 0.0000 34345.6499 -149020.2376 299.9491 -183365.8875 -148915.3370 300.3528 -182.3523 -151.8401 558046.5265 -1.9726 -1.8946 PRESSURE: 4336800 -273.201 -46.4117 -2.21262 -46.4113 -49.2371 44.5806 -2.21265 44.5807 -118.642 GPRESSURE: 4336800 -223.462 -86.4383 -11.1591 39.8354 -66.1502 12.3557 12.1711 16.9097 -61.2956 PRESSAVG: 4336800 -45.8056 -5.74153 6.55593 -5.74151 51.8873 16.784 6.55591 16.7841 4.03792 GPRESSAVG: 4336800 -45.7643 -6.4429 3.68342 -3.60861 51.175 18.1213 8.63024 16.1794 4.51585 TIMING: 4336800 CPU: 12883.6, 0.00294575/step Wall: 12883.6, 0.00294575/step, 0.542673 hours remaining, 211.863281 MB of memory in use. ENERGY: 4336800 732.4071 2147.8410 1961.7230 108.5971 -205688.3150 17442.6247 0.0000 0.0000 34401.6527 -148893.4693 300.4382 -183295.1220 -148805.4797 299.7575 -147.0266 -116.9694 557902.9820 3.3732 3.3089 PRESSURE: 4337000 -145.895 -34.64 -75.2033 -34.6392 217.384 -129.727 -75.2031 -129.728 145.938 GPRESSURE: 4337000 -93.2741 -122.705 -85.6509 -46.6299 246.188 -117.097 -30.0776 -45.5078 156.614 PRESSAVG: 4337000 -14.4207 -33.6385 -21.0471 -33.6386 19.4778 5.4033 -21.0472 5.40335 -17.9193 GPRESSAVG: 4337000 -14.5924 -34.9749 -18.8885 -33.1844 20.1845 3.93158 -22.3668 6.43737 -18.47 TIMING: 4337000 CPU: 12884.2, 0.00292578/step Wall: 12884.2, 0.00292578/step, 0.538831 hours remaining, 211.863281 MB of memory in use. ENERGY: 4337000 733.5778 2038.5880 1968.7227 111.9996 -205936.5094 17766.1709 0.0000 0.0000 34356.4599 -148960.9906 300.0435 -183317.4505 -148859.6780 300.4201 72.4756 103.1762 556899.8626 -4.2874 -4.2926 PRESSURE: 4337200 26.8407 8.88956 129.834 8.89114 -40.0448 40.9947 129.835 40.9949 -120.673 GPRESSURE: 4337200 25.1747 -97.5121 116.358 112.834 4.34319 73.4404 73.5031 14.1673 -63.288 PRESSAVG: 4337200 -8.96558 -24.9936 8.84561 -24.9936 -7.52154 -11.2302 8.84576 -11.2303 40.4991 GPRESSAVG: 4337200 -10.1098 -24.7656 8.37066 -24.9847 -6.7122 -7.9848 8.40608 -13.3514 41.1597 TIMING: 4337200 CPU: 12884.8, 0.00289568/step Wall: 12884.8, 0.00289568/step, 0.533127 hours remaining, 211.863281 MB of memory in use. ENERGY: 4337200 735.8743 2053.7256 1921.5846 121.2025 -205797.1841 17776.1278 0.0000 0.0000 34231.5861 -148957.0833 298.9530 -183188.6694 -148858.2752 300.4810 -44.6258 -11.2567 556873.7902 8.0040 8.1126 PRESSURE: 4337400 41.5692 -130.252 67.6483 -130.252 -426.572 -127.195 67.6482 -127.195 -87.2718 GPRESSURE: 4337400 66.59 -112.532 70.6439 -70.3705 -360.595 -145.898 22.1225 -147.961 -64.9699 PRESSAVG: 4337400 10.6425 -49.6936 15.6726 -49.6937 -35.9456 -44.6042 15.6725 -44.6042 14.8617 GPRESSAVG: 4337400 12.111 -49.4024 14.877 -51.0467 -36.0478 -47.2961 17.824 -43.1252 13.0738 TIMING: 4337400 CPU: 12885.4, 0.00290772/step Wall: 12885.4, 0.00290772/step, 0.535183 hours remaining, 211.863281 MB of memory in use. ENERGY: 4337400 788.5337 2102.3014 1938.0532 96.4347 -205695.1288 17365.9765 0.0000 0.0000 34498.5616 -148905.2677 301.2845 -183403.8293 -148805.4607 300.5055 -157.4248 -119.6585 556051.9633 -3.4804 -3.6210 PRESSURE: 4337600 -58.8285 -52.8406 -31.5317 -52.8393 -215.352 17.6305 -31.5328 17.6309 -97.5918 GPRESSURE: 4337600 -71.2022 -29.6949 -93.3538 -38.0984 -160.074 43.9311 11.1234 39.6355 -46.2574 PRESSAVG: 4337600 7.59024 -13.1927 9.77512 -13.1927 -7.26701 -32.4391 9.77495 -32.439 -10.1762 GPRESSAVG: 4337600 7.29775 -12.4263 12.0587 -14.2758 -7.85626 -30.2517 8.82135 -32.3629 -9.67793 TIMING: 4337600 CPU: 12886, 0.00291647/step Wall: 12886, 0.00291647/step, 0.53663 hours remaining, 211.863281 MB of memory in use. ENERGY: 4337600 791.2945 2048.5406 1960.3889 108.3600 -205862.8099 17614.6059 0.0000 0.0000 34389.6832 -148949.9367 300.3337 -183339.6199 -148857.2854 300.6169 -123.9240 -92.5112 557050.1880 -3.2843 -3.4121 PRESSURE: 4337800 -56.4232 -28.4898 -71.4512 -28.4892 -29.329 -18.9089 -71.4493 -18.9099 -372.177 GPRESSURE: 4337800 -1.53688 18.2651 -183.275 56.2451 -4.59882 51.2593 -13.3865 -109.575 -346.177 PRESSAVG: 4337800 7.72451 20.471 -24.31 20.4709 -40.8889 -61.382 -24.31 -61.382 16.5043 GPRESSAVG: 4337800 7.58579 20.8051 -26.6527 21.1115 -41.5377 -63.3702 -24.6277 -62.1869 17.195 TIMING: 4337800 CPU: 12886.6, 0.00291187/step Wall: 12886.6, 0.00291187/step, 0.535623 hours remaining, 211.863281 MB of memory in use. ENERGY: 4337800 730.7932 2108.6662 1946.3805 113.6954 -205388.6930 17380.1127 0.0000 0.0000 34376.1426 -148732.9024 300.2154 -183109.0451 -148639.5434 301.0740 -152.6431 -117.4377 558096.2607 -5.5534 -5.5856 PRESSURE: 4338000 137.283 -81.3725 -54.6571 -81.3717 -14.4161 57.1492 -54.6574 57.1493 154.942 GPRESSURE: 4338000 116.763 -40.0016 -20.9172 -97.2546 41.2568 69.9434 -39.4606 -54.5764 214.546 PRESSAVG: 4338000 113.117 -13.9142 -65.0139 -13.9143 -52.541 -12.1411 -65.014 -12.141 -13.1951 GPRESSAVG: 4338000 113.856 -11.3509 -63.7642 -15.9235 -52.1223 -12.5355 -62.8726 -11.3709 -13.9853 TIMING: 4338000 CPU: 12887.1, 0.00293878/step Wall: 12887.1, 0.00293878/step, 0.54041 hours remaining, 211.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4338000 727.4912 2129.6518 1963.8244 117.4706 -205970.5018 17847.5681 0.0000 0.0000 34479.9136 -148704.5822 301.1217 -183184.4958 -148606.5214 301.4158 92.6029 124.1885 556429.4498 15.7935 15.9160 PRESSURE: 4338200 -115.224 10.6371 65.5399 10.6369 1.89209 -44.7704 65.5401 -44.769 42.0721 GPRESSURE: 4338200 -77.4401 8.7586 -14.4953 15.9664 51.3503 -60.1667 124.45 -6.35361 39.6276 PRESSAVG: 4338200 -36.7731 -0.712666 39.909 -0.712675 9.35299 -7.57485 39.9091 -7.57488 27.8034 GPRESSAVG: 4338200 -37.6697 -4.69176 40.4912 1.95992 10.7894 -7.39941 37.0105 -7.43291 26.9976 TIMING: 4338200 CPU: 12887.7, 0.00293617/step Wall: 12887.7, 0.00293617/step, 0.539766 hours remaining, 211.863281 MB of memory in use. ENERGY: 4338200 757.1972 2066.8210 1946.8666 124.9933 -205911.6897 17797.3593 0.0000 0.0000 34303.4046 -148915.0478 299.5802 -183218.4524 -148821.7460 300.4756 -23.7532 4.5126 558504.9453 0.1278 0.0391 PRESSURE: 4338400 252.966 87.6006 2.14171 87.6013 170.488 15.0151 2.14275 15.0142 85.1334 GPRESSURE: 4338400 294.932 -28.3313 -3.105 223.512 185.436 -72.9009 -19.8565 10.8222 118.036 PRESSAVG: 4338400 -23.6451 6.70502 -22.7238 6.70501 72.518 -43.4429 -22.7238 -43.443 -26.9008 GPRESSAVG: 4338400 -22.9672 6.52585 -22.9014 6.07042 71.0736 -42.1786 -22.9628 -43.796 -26.3437 TIMING: 4338400 CPU: 12888.3, 0.00294273/step Wall: 12888.3, 0.00294274/step, 0.540809 hours remaining, 211.863281 MB of memory in use. ENERGY: 4338400 737.2217 2132.0244 1974.0711 108.0516 -206164.6394 17989.6761 0.0000 0.0000 34312.0885 -148911.5059 299.6560 -183223.5944 -148813.8847 300.5972 169.5293 199.4679 557264.2263 7.3241 7.2542 PRESSURE: 4338600 -70.9696 123.695 -164.068 123.694 -269.028 163.266 -164.068 163.268 185.365 GPRESSURE: 4338600 -77.512 147.044 -164.763 122.429 -215.967 103.823 -162.102 201.708 228.343 PRESSAVG: 4338600 23.1791 60.3282 -31.2833 60.3281 -7.44785 9.17 -31.2832 9.17001 -7.65922 GPRESSAVG: 4338600 22.895 59.6475 -33.9664 60.8319 -7.44819 9.08948 -26.8462 8.47082 -7.15117 TIMING: 4338600 CPU: 12888.9, 0.00294488/step Wall: 12888.9, 0.00294488/step, 0.541041 hours remaining, 211.863281 MB of memory in use. ENERGY: 4338600 756.0131 2118.7466 1958.6622 118.7266 -206171.9820 17853.1013 0.0000 0.0000 34323.3568 -149043.3755 299.7544 -183366.7323 -148942.0691 299.4811 -51.5443 -21.7122 557857.7479 2.6907 2.7652 PRESSURE: 4338800 5.47223 4.96359 55.7678 4.96338 3.63619 -90.4202 55.7669 -90.4212 1.00727 GPRESSURE: 4338800 -6.94478 49.1529 100.172 -10.029 30.366 -47.8265 60.5489 -59.0661 68.905 PRESSAVG: 4338800 21.203 31.5978 -20.4046 31.5978 43.6965 -17.8691 -20.4045 -17.8692 -28.052 GPRESSAVG: 4338800 20.7605 33.2479 -19.7009 31.9479 43.2215 -17.2643 -22.0433 -14.8241 -27.9578 TIMING: 4338800 CPU: 12889.5, 0.00293452/step Wall: 12889.5, 0.00293452/step, 0.538974 hours remaining, 211.863281 MB of memory in use. ENERGY: 4338800 737.1070 2082.1433 1922.7961 111.7103 -205985.9157 17779.0165 0.0000 0.0000 34257.6732 -149095.4695 299.1808 -183353.1426 -149003.7387 300.0217 3.3719 30.7754 557710.0291 12.2825 12.0080 PRESSURE: 4339000 90.1859 -65.1968 86.056 -65.1974 -62.3769 -136.566 86.057 -136.565 -122.567 GPRESSURE: 4339000 129.45 -90.2497 116.116 -29.9274 -84.9338 -63.6015 22.884 -219.511 -43.7152 PRESSAVG: 4339000 -45.7886 23.9563 21.2471 23.9563 -9.45588 -18.3268 21.2471 -18.3267 34.6705 GPRESSAVG: 4339000 -45.1163 25.0337 21.3616 22.4375 -9.37765 -19.6443 20.8457 -20.7331 34.2873 TIMING: 4339000 CPU: 12890.1, 0.0029308/step Wall: 12890.1, 0.0029308/step, 0.538127 hours remaining, 211.863281 MB of memory in use. ENERGY: 4339000 699.7143 2070.3370 1985.0961 119.7407 -205927.7050 17674.4065 0.0000 0.0000 34330.5298 -149047.8806 299.8171 -183378.4104 -148954.1445 300.0007 -31.5862 0.2669 557475.4058 -6.8580 -6.7356 PRESSURE: 4339200 16.6038 10.0306 111.401 10.0316 42.3798 80.3627 111.399 80.3649 148.477 GPRESSURE: 4339200 92.0587 119.35 17.5239 -61.9908 51.4542 155.406 95.1777 33.6053 146.316 PRESSAVG: 4339200 63.0513 32.0403 41.366 32.0402 -27.6901 -33.1136 41.366 -33.1137 -6.15862 GPRESSAVG: 4339200 62.2627 30.5174 42.8296 33.4285 -26.7448 -32.3107 38.0353 -33.1394 -6.42317 TIMING: 4339200 CPU: 12890.7, 0.00289435/step Wall: 12890.7, 0.00289435/step, 0.531274 hours remaining, 211.863281 MB of memory in use. ENERGY: 4339200 717.3867 2159.0938 1934.2731 111.5173 -206247.7329 17935.6829 0.0000 0.0000 34482.5256 -148907.2535 301.1445 -183389.7791 -148815.2096 300.3721 69.1537 96.6097 556949.0183 9.7342 9.6983 PRESSURE: 4339400 -195.392 99.52 -37.5898 99.5194 -215.841 -71.5137 -37.5908 -71.5137 -64.2354 GPRESSURE: 4339400 -159.443 -4.50388 -133.832 72.7442 -221.481 -64.7975 30.8673 -105.799 2.21441 PRESSAVG: 4339400 -16.7973 -59.4859 10.48 -59.4859 -42.1551 82.7601 10.48 82.7602 43.1658 GPRESSAVG: 4339400 -16.358 -59.1175 8.94693 -61.3301 -41.871 80.2323 11.7158 84.6254 42.5757 TIMING: 4339400 CPU: 12891.2, 0.00291428/step Wall: 12891.2, 0.00291428/step, 0.534769 hours remaining, 211.863281 MB of memory in use. ENERGY: 4339400 758.2132 2147.5291 1955.9376 113.9540 -205590.6892 17635.8352 0.0000 0.0000 34150.9361 -148828.2840 298.2486 -182979.2200 -148733.8350 300.7410 -158.4896 -126.2364 558715.1273 -5.2622 -5.2177 PRESSURE: 4339600 -266.987 84.8045 -100.266 84.8046 -53.2917 92.5241 -100.266 92.5228 -166.379 GPRESSURE: 4339600 -252.287 79.931 -124.13 15.6557 -43.0246 106.156 -78.2095 45.7122 -82.5548 PRESSAVG: 4339600 -20.2816 -34.7715 1.00427 -34.7716 -23.8239 16.9072 1.00421 16.9072 58.7123 GPRESSAVG: 4339600 -20.9902 -35.1107 4.28729 -33.753 -23.4284 18.5014 0.0943277 14.3513 58.5007 TIMING: 4339600 CPU: 12891.8, 0.00291981/step Wall: 12891.8, 0.00291981/step, 0.535624 hours remaining, 211.863281 MB of memory in use. ENERGY: 4339600 722.7499 2125.5939 1960.3259 113.8384 -205546.1757 17369.7621 0.0000 0.0000 34174.3437 -149079.5618 298.4530 -183253.9055 -148986.5923 300.3982 -162.2193 -125.9554 558039.4479 4.8690 4.6940 PRESSURE: 4339800 148.111 -86.8721 -25.8075 -86.8725 -265.493 -31.1074 -25.8091 -31.108 -217.906 GPRESSURE: 4339800 134.079 -76.6186 6.27087 -70.0581 -208.515 18.5736 -27.1572 -102.286 -164.023 PRESSAVG: 4339800 -29.1173 -0.511121 -32.4483 -0.511086 13.9727 19.4217 -32.4482 19.4217 -15.0774 GPRESSAVG: 4339800 -28.6002 -0.421711 -33.2991 -1.81337 13.8932 18.4267 -30.0922 21.9748 -15.4476 TIMING: 4339800 CPU: 12892.4, 0.00292006/step Wall: 12892.4, 0.00292006/step, 0.535506 hours remaining, 211.863281 MB of memory in use. ENERGY: 4339800 729.1506 2084.6600 1948.0857 102.9698 -205713.1529 17483.3996 0.0000 0.0000 34308.0658 -149056.8213 299.6209 -183364.8871 -148954.8890 300.0039 -111.7625 -79.4865 556632.6505 -10.0740 -10.0515 PRESSURE: 4340000 -173.612 -6.49855 -27.8853 -6.49799 -135.219 -96.8351 -27.8859 -96.8353 -120.473 GPRESSURE: 4340000 -101.118 -5.83142 42.8949 -21.3275 -157.342 -111.32 -115 -65.0437 -81.5863 PRESSAVG: 4340000 19.0302 -38.9886 10.1907 -38.9887 -6.52864 0.269561 10.1907 0.269655 -14.6245 GPRESSAVG: 4340000 19.5096 -38.649 10.7068 -39.4405 -6.95713 1.05295 8.91713 -1.72614 -14.3081 TIMING: 4340000 CPU: 12893, 0.00292338/step Wall: 12893, 0.00292338/step, 0.535953 hours remaining, 211.863281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4340000 726.7380 2080.9673 1985.6814 113.3450 -205707.0753 17453.1784 0.0000 0.0000 34291.3221 -149055.8430 299.4746 -183347.1651 -148955.4589 299.6958 -143.1015 -113.3485 556304.1847 -0.7077 -0.5852 PRESSURE: 4340200 -74.1396 -35.8007 40.6654 -35.8003 -102.578 -130.635 40.6656 -130.636 21.4578 GPRESSURE: 4340200 -68.2305 -84.4306 132.174 -96.575 -45.0471 -62.429 -51.1456 -145.034 62.6444 PRESSAVG: 4340200 17.1188 -77.915 15.972 -77.915 0.153339 -6.68166 15.9721 -6.68172 -3.72139 GPRESSAVG: 4340200 16.5782 -78.1197 14.2367 -77.9078 -0.767513 -5.60647 15.3662 -6.12919 -2.3863 TIMING: 4340200 CPU: 12893.6, 0.00293125/step Wall: 12893.6, 0.00293125/step, 0.537233 hours remaining, 211.863281 MB of memory in use. ENERGY: 4340200 764.2404 2075.8987 1944.1511 120.6115 -205676.3192 17481.2011 0.0000 0.0000 34235.9880 -149054.2282 298.9914 -183290.2162 -148958.8893 299.9997 -51.7532 -16.8777 555911.7787 4.5169 4.4748 LDB: ============= START OF LOAD BALANCING ============== 12897.1 LDB: ============== END OF LOAD BALANCING =============== 12897.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12897.1 LDB: ============= START OF LOAD BALANCING ============== 12897.4 LDB: Largest compute 4772 load 0.022024 is 18.6% of average load 0.118253 LDB: Average compute 0.001733 is 1.5% of average load 0.118253 LDB: TIME 12897.4 LOAD: AVG 0.118253 MAX 0.195365 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.863 MB LDB: TIME 12897.4 LOAD: AVG 0.118253 MAX 0.195365 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: TIME 12897.4 LOAD: AVG 0.118253 MAX 0.195365 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.871 MB LDB: ============== END OF LOAD BALANCING =============== 12897.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12897.4 PRESSURE: 4340400 -21.9618 114.529 36.7114 114.529 276.631 18.0703 36.712 18.0703 88.2728 GPRESSURE: 4340400 45.4166 26.8439 28.2676 167.276 341.66 -2.71894 38.0018 71.1997 60.5796 PRESSAVG: 4340400 4.14681 1.91248 23.4656 1.91247 4.62458 -33.4561 23.4656 -33.4561 -26.0492 GPRESSAVG: 4340400 5.03105 2.68898 22.5729 0.964231 4.86108 -33.2333 24.5395 -32.3526 -27.4355 TIMING: 4340400 CPU: 12894.2, 0.00299226/step Wall: 12894.2, 0.00299226/step, 0.548249 hours remaining, 208.863281 MB of memory in use. ENERGY: 4340400 749.6206 2156.7915 1952.8521 96.8791 -206312.8984 17876.3783 0.0000 0.0000 34429.0807 -149051.2961 300.6777 -183480.3768 -148956.5114 300.4694 114.3140 149.2187 556574.4036 -5.7593 -5.8478 PRESSURE: 4340600 -79.7444 -47.9253 55.4006 -47.9257 72.5263 38.7196 55.4006 38.7203 194.61 GPRESSURE: 4340600 -37.3565 -3.08807 45.047 -46.6515 141.631 61.1746 9.03029 46.8704 183.657 PRESSAVG: 4340600 -39.7426 10.0818 26.565 10.0818 37.9817 12.9474 26.565 12.9475 -8.80132 GPRESSAVG: 4340600 -41.1067 8.61477 28.2906 11.2394 38.0697 10.8659 27.7108 12.6626 -7.22087 TIMING: 4340600 CPU: 12894.8, 0.00293953/step Wall: 12894.8, 0.00293953/step, 0.538424 hours remaining, 208.863281 MB of memory in use. ENERGY: 4340600 740.2773 2110.2079 1929.0892 103.5583 -206168.6767 17854.6037 0.0000 0.0000 34269.2332 -149161.7071 299.2817 -183430.9403 -149067.8551 299.0940 62.4640 95.9772 558228.2640 -3.5207 -3.4193 PRESSURE: 4340800 -51.7642 187.292 65.1779 187.292 256.162 16.3241 65.1783 16.3222 239.575 GPRESSURE: 4340800 18.4649 115.517 -12.113 195.879 260.555 -35.1892 163.553 -37.5388 264.489 PRESSAVG: 4340800 -2.20483 23.1785 0.33788 23.1786 -28.2703 -22.2649 0.337828 -22.265 64.5024 GPRESSAVG: 4340800 -2.47444 22.6922 0.307495 22.7335 -27.5507 -20.6591 0.517235 -23.1377 64.316 TIMING: 4340800 CPU: 12895.4, 0.00293433/step Wall: 12895.4, 0.00293433/step, 0.537308 hours remaining, 208.863281 MB of memory in use. ENERGY: 4340800 744.7282 2083.4735 1937.9105 123.0013 -206572.1392 18096.0324 0.0000 0.0000 34376.9348 -149210.0585 300.2223 -183586.9933 -149109.0268 299.6805 147.9911 181.1699 556997.1499 11.3424 11.4303 PRESSURE: 4341000 -46.6895 -56.5951 3.38663 -56.5954 88.7273 -31.5383 3.38644 -31.5377 -86.8208 GPRESSURE: 4341000 -4.86759 -82.6958 12.187 -81.2555 113.477 -37.8059 12.8644 27.4744 -55.9263 PRESSAVG: 4341000 -78.9932 -29.4075 -4.30027 -29.4076 13.8196 -26.7367 -4.30016 -26.7366 4.53508 GPRESSAVG: 4341000 -78.3813 -27.5614 -6.17777 -29.0375 13.5905 -27.0891 -5.60571 -26.1791 3.96176 TIMING: 4341000 CPU: 12895.9, 0.00294664/step Wall: 12895.9, 0.00294664/step, 0.539398 hours remaining, 208.863281 MB of memory in use. ENERGY: 4341000 769.0062 2094.8753 1942.4983 112.4711 -206221.2490 17761.2097 0.0000 0.0000 34266.5303 -149274.6581 299.2581 -183541.1884 -149173.8081 299.4389 -14.9277 17.5610 557533.5342 -20.2128 -20.2764 PRESSURE: 4341200 -215.287 114.096 19.1193 114.097 245.349 121.516 19.1185 121.518 132.24 GPRESSURE: 4341200 -185.97 152.49 -6.75476 173.074 256.479 89.6443 -19.1792 141.719 185.104 PRESSAVG: 4341200 -59.3679 -45.465 -67.5941 -45.465 63.7348 13.3551 -67.5941 13.3551 16.9751 GPRESSAVG: 4341200 -60.1535 -48.3058 -67.1197 -43.9984 62.9068 13.7512 -67.4075 12.7424 18.1346 TIMING: 4341200 CPU: 12896.5, 0.00293384/step Wall: 12896.5, 0.00293384/step, 0.536893 hours remaining, 208.863281 MB of memory in use. ENERGY: 4341200 757.4043 2072.5919 1913.6147 114.7157 -205895.6206 17675.0966 0.0000 0.0000 34340.8142 -149021.3833 299.9069 -183362.1975 -148923.4133 299.6472 54.1007 85.2042 558550.0491 7.1140 6.9626 PRESSURE: 4341400 -347.454 -106.955 -87.6642 -106.956 -225.622 -119.314 -87.6639 -119.31 129.921 GPRESSURE: 4341400 -318.522 -77.8456 -85.7458 -115.103 -161.857 -28.9511 -113.051 -137.949 146.512 PRESSAVG: 4341400 -26.6518 -63.6794 -49.7076 -63.6794 2.68255 -3.98455 -49.7075 -3.98453 20.3119 GPRESSAVG: 4341400 -26.735 -60.4994 -48.2639 -64.847 2.67353 -5.34299 -49.4588 -4.85333 20.7754 TIMING: 4341400 CPU: 12897.1, 0.00293698/step Wall: 12897.1, 0.00293698/step, 0.537304 hours remaining, 208.863281 MB of memory in use. ENERGY: 4341400 782.2577 2121.1063 1929.4341 115.1784 -205855.7967 17622.7959 0.0000 0.0000 34322.2026 -148962.8216 299.7443 -183285.0243 -148868.0889 300.4130 -147.7182 -111.2893 558083.7081 -1.2191 -1.0954 PRESSURE: 4341600 197.312 90.4828 -7.6965 90.4815 60.2537 37.393 -7.69705 37.3917 194.085 GPRESSURE: 4341600 195.678 40.4216 -177.282 106.08 115.147 54.5836 70.1716 46.5505 234.696 PRESSAVG: 4341600 13.8383 -5.53013 -55.4255 -5.53019 -20.0115 43.5264 -55.4256 43.5264 34.4373 GPRESSAVG: 4341600 15.2085 -7.02628 -56.1422 -5.35401 -19.6778 43.1203 -54.7546 44.5893 32.9159 TIMING: 4341600 CPU: 12897.7, 0.00293677/step Wall: 12897.7, 0.00293677/step, 0.537103 hours remaining, 208.863281 MB of memory in use. ENERGY: 4341600 783.9586 2037.1266 1931.9728 118.0581 -206374.6528 18016.5821 0.0000 0.0000 34385.6812 -149101.2734 300.2987 -183486.9546 -149006.7369 299.4662 150.5502 181.8403 555560.2917 9.4214 9.4822 PRESSURE: 4341800 73.2821 -10.8582 174.226 -10.8574 -368.628 85.9791 174.226 85.9794 -15.2851 GPRESSURE: 4341800 92.2152 3.35492 137.534 75.1607 -305.051 89.0806 108.14 27.693 9.38817 PRESSAVG: 4341800 27.001 -80.3959 11.2951 -80.3959 -62.2632 -28.0764 11.2952 -28.0763 56.0877 GPRESSAVG: 4341800 25.867 -80.7568 11.9098 -79.8639 -61.2184 -28.0794 10.5903 -27.2376 56.0557 TIMING: 4341800 CPU: 12898.3, 0.00291533/step Wall: 12898.3, 0.00291533/step, 0.53302 hours remaining, 208.863281 MB of memory in use. ENERGY: 4341800 772.0415 2128.5247 1924.2693 110.5716 -205785.6016 17586.7717 0.0000 0.0000 34061.2748 -149202.1480 297.4656 -183263.4228 -149102.0850 299.0577 -103.5435 -67.8160 556735.7164 6.9418 6.9014 PRESSURE: 4342000 -5.08916 -218.904 50.7285 -218.903 -287.033 -141.361 50.7279 -141.362 -9.11231 GPRESSURE: 4342000 16.3442 -65.3392 88.4908 -280.284 -250.087 -90.0618 5.54699 -117.161 19.951 PRESSAVG: 4342000 -20.8307 -11.6556 32.4388 -11.6557 -31.6926 -31.5901 32.4389 -31.5901 40.7711 GPRESSAVG: 4342000 -19.8533 -11.2176 33.0214 -13.0293 -32.6719 -30.9124 31.9062 -32.6625 40.9171 TIMING: 4342000 CPU: 12898.9, 0.00291205/step Wall: 12898.9, 0.00291205/step, 0.532259 hours remaining, 208.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4342000 767.4595 2106.4730 1942.3524 98.6267 -206068.8673 17634.5304 0.0000 0.0000 34152.1558 -149367.2695 298.2593 -183519.4253 -149271.5102 299.1095 -100.4115 -71.2640 556719.4373 -3.9174 -3.8693 PRESSURE: 4342200 -160.979 -152.714 107.424 -152.713 60.0953 -31.8597 107.424 -31.8605 55.4517 GPRESSURE: 4342200 -120.34 -133.869 53.215 -203.517 56.2846 40.8757 143.988 -56.1414 115.384 PRESSAVG: 4342200 -2.50558 -52.1602 7.06974 -52.1602 -5.89098 -24.4803 7.06971 -24.4802 20.4514 GPRESSAVG: 4342200 -3.3056 -50.571 5.13069 -53.3534 -4.72826 -25.3702 7.38308 -23.4366 20.7172 TIMING: 4342200 CPU: 12899.5, 0.00292335/step Wall: 12899.5, 0.00292335/step, 0.534161 hours remaining, 208.976562 MB of memory in use. ENERGY: 4342200 756.5984 2121.0850 1930.6540 107.7930 -206120.0997 17676.2193 0.0000 0.0000 34150.3516 -149377.3983 298.2435 -183527.7500 -149279.9828 298.9713 -15.1441 17.1096 556529.0618 4.0183 4.2278 PRESSURE: 4342400 -101.113 -75.2124 14.5979 -75.2115 -140.464 -146.96 14.5983 -146.959 -304.28 GPRESSURE: 4342400 -145.576 36.0416 42.571 -78.2432 -77.9746 -194.558 76.4319 -101.602 -223.702 PRESSAVG: 4342400 -9.34732 -21.3329 -4.05457 -21.3328 33.9622 -21.7385 -4.05453 -21.7385 -59.5184 GPRESSAVG: 4342400 -8.75155 -22.5412 -2.30385 -20.7932 33.395 -21.7538 -4.54187 -22.716 -59.0467 TIMING: 4342400 CPU: 12900, 0.00291845/step Wall: 12900, 0.00291845/step, 0.533103 hours remaining, 208.976562 MB of memory in use. ENERGY: 4342400 734.5873 2126.3576 1944.1989 124.4992 -206078.6056 17507.3727 0.0000 0.0000 34199.7067 -149441.8832 298.6745 -183641.5899 -149350.8459 298.5966 -181.9525 -149.0842 556464.1040 -11.6345 -11.4677 PRESSURE: 4342600 -192.322 40.6057 86.3372 40.6064 -56.5849 -164.693 86.336 -164.692 58.7682 GPRESSURE: 4342600 -146.785 -10.5044 77.5854 112.918 16.6494 -176.203 69.2635 -117.48 37.4517 PRESSAVG: 4342600 -32.7618 -5.69232 -1.49948 -5.69233 102.283 -56.172 -1.49944 -56.172 -39.7851 GPRESSAVG: 4342600 -33.2775 -5.66528 -1.43549 -4.66355 102.959 -56.5426 -0.584035 -56.3613 -39.8374 TIMING: 4342600 CPU: 12900.6, 0.0029445/step Wall: 12900.6, 0.0029445/step, 0.537699 hours remaining, 208.976562 MB of memory in use. ENERGY: 4342600 715.1848 2165.0871 1925.1540 106.2452 -206009.4498 17730.4426 0.0000 0.0000 33953.1338 -149414.2023 296.5212 -183367.3361 -149323.2747 298.7435 -63.3797 -30.8946 557658.3277 9.9119 9.9481 PRESSURE: 4342800 -62.0145 188.97 -100.203 188.97 59.1745 78.4194 -100.204 78.4179 60.9368 GPRESSURE: 4342800 -2.13587 266.672 -136.605 120.982 73.5779 78.3755 -104.111 129.073 74.4207 PRESSAVG: 4342800 5.74746 -54.9083 -68.2197 -54.9083 12.5021 -24.2944 -68.2196 -24.2945 6.66677 GPRESSAVG: 4342800 7.66495 -55.0217 -67.9353 -54.2574 11.129 -24.4205 -70 -21.4315 6.437 TIMING: 4342800 CPU: 12901.2, 0.00294254/step Wall: 12901.2, 0.00294254/step, 0.537178 hours remaining, 208.976562 MB of memory in use. ENERGY: 4342800 738.9391 2120.9405 1941.2360 111.2359 -206363.1175 17864.3795 0.0000 0.0000 34188.7549 -149397.6316 298.5789 -183586.3865 -149297.8388 298.8166 19.3656 48.6209 557212.9243 8.3054 8.4103 PRESSURE: 4343000 -112.633 52.8997 -136.414 52.8994 -83.2791 38.6305 -136.414 38.6303 61.2109 GPRESSURE: 4343000 -126.431 60.1675 -136.303 42.7563 -21.5074 -32.0239 -93.7988 87.5581 109.772 PRESSAVG: 4343000 -37.5378 10.1104 -32.1946 10.1104 -23.6865 -1.30627 -32.1947 -1.30625 7.09936 GPRESSAVG: 4343000 -38.719 8.86658 -34.0241 9.9681 -22.9318 0.161887 -30.0025 -2.90542 7.11745 TIMING: 4343000 CPU: 12901.8, 0.00295071/step Wall: 12901.8, 0.00295071/step, 0.538505 hours remaining, 208.976562 MB of memory in use. ENERGY: 4343000 750.5169 2157.7820 1933.8542 118.3673 -206369.2364 17835.3870 0.0000 0.0000 34090.6454 -149482.6836 297.7221 -183573.3290 -149388.2663 298.6450 -44.9004 -12.7220 557986.9089 -18.0416 -18.1778 PRESSURE: 4343200 -62.0626 -101.886 -153.202 -101.887 -217.15 128.231 -153.201 128.23 -129.597 GPRESSURE: 4343200 -68.1198 -28.3188 -206.835 -155.743 -103.573 64.365 -120.423 118.431 -128.443 PRESSAVG: 4343200 -54.6022 0.95663 -35.4558 0.95664 90.2902 13.8805 -35.4559 13.8804 -18.9553 GPRESSAVG: 4343200 -54.836 1.14616 -33.8997 1.90503 90.4621 11.5699 -34.982 11.8849 -18.6035 TIMING: 4343200 CPU: 12902.4, 0.00292526/step Wall: 12902.4, 0.00292526/step, 0.533697 hours remaining, 208.976562 MB of memory in use. ENERGY: 4343200 719.6108 2137.7637 1932.9505 111.9608 -206155.3450 17706.6605 0.0000 0.0000 34155.6786 -149390.7201 298.2900 -183546.3988 -149289.8423 298.2128 -136.2697 -100.0451 559807.5740 5.5776 5.6742 PRESSURE: 4343400 -30.2758 112.518 -35.8776 112.517 103.377 -17.0559 -35.8782 -17.0578 211.073 GPRESSURE: 4343400 -4.6075 155.76 -24.8168 0.362981 131.142 -25.2571 -38.0759 40.1123 238.87 PRESSAVG: 4343400 -45.1182 89.938 3.09526 89.938 -39.0461 -8.36177 3.09536 -8.36179 27.2319 GPRESSAVG: 4343400 -44.1282 91.2461 3.55863 88.6484 -38.877 -6.59598 1.40402 -8.37835 26.3922 TIMING: 4343400 CPU: 12903, 0.00292005/step Wall: 12903, 0.00292005/step, 0.532584 hours remaining, 209.035156 MB of memory in use. ENERGY: 4343400 753.7651 2121.2203 1935.1127 121.0624 -206894.8220 18158.0042 0.0000 0.0000 34374.0856 -149431.5716 300.1974 -183805.6573 -149332.8056 298.9824 94.7246 121.8015 556753.9339 -18.9775 -18.8710 PRESSURE: 4343600 -52.3048 -6.62808 83.8915 -6.62838 -145.417 -101.344 83.8928 -101.344 88.3425 GPRESSURE: 4343600 -55.5849 -37.5405 53.998 39.0108 -59.6077 -72.7318 76.4432 -27.2358 93.8176 PRESSAVG: 4343600 35.2689 18.5397 5.49481 18.5397 -23.6101 23.4966 5.49485 23.4967 38.4679 GPRESSAVG: 4343600 34.5741 16.0047 4.63744 19.7676 -24.0525 22.0943 6.99778 24.9481 39.5525 TIMING: 4343600 CPU: 12903.6, 0.00290916/step Wall: 12903.6, 0.00290916/step, 0.530437 hours remaining, 209.035156 MB of memory in use. ENERGY: 4343600 758.2828 2158.9639 1940.0467 119.5804 -206465.8272 17946.2662 0.0000 0.0000 34071.4130 -149471.2741 297.5541 -183542.6871 -149371.5267 299.0769 -36.4599 -7.1250 558534.2244 16.7089 16.6914 PRESSURE: 4343800 -43.276 123.082 50.224 123.082 -18.6289 -50.2768 50.2247 -50.2763 -51.2633 GPRESSURE: 4343800 -22.9217 141.469 97.9613 97.8422 -19.0441 -87.8917 17.7173 6.40918 37.5383 PRESSAVG: 4343800 11.4595 6.01535 -17.9738 6.01545 -25.1789 13.8475 -17.9739 13.8475 -2.06804 GPRESSAVG: 4343800 10.5296 6.88696 -18.8488 5.3429 -23.039 13.5923 -18.4997 14.6064 -2.65086 TIMING: 4343800 CPU: 12904.2, 0.00295058/step Wall: 12904.2, 0.00295058/step, 0.537825 hours remaining, 209.035156 MB of memory in use. ENERGY: 4343800 750.1956 2084.9232 1939.1317 107.6613 -206361.3278 17883.8465 0.0000 0.0000 34160.7617 -149434.8079 298.3344 -183595.5696 -149341.8478 298.6197 -37.7227 -1.4758 557471.8743 -5.2625 -5.0534 PRESSURE: 4344000 -217.517 38.5791 -58.4801 38.5803 -259.942 10.8898 -58.4801 10.8889 -96.9054 GPRESSURE: 4344000 -155.882 126.268 -29.796 -35.904 -197.133 -117.952 -157.676 69.5752 -111.802 PRESSAVG: 4344000 -1.11311 26.9676 -45.8923 26.9678 41.2113 -33.0264 -45.8923 -33.0265 -5.83437 GPRESSAVG: 4344000 -1.75049 29.0515 -46.0483 24.1805 41.5555 -33.6585 -43.3481 -32.2426 -5.55355 TIMING: 4344000 CPU: 12904.7, 0.00294492/step Wall: 12904.7, 0.00294492/step, 0.536629 hours remaining, 209.035156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4344000 747.3074 2089.7354 1953.8590 110.9118 -205948.5401 17581.4752 0.0000 0.0000 34361.2272 -149104.0240 300.0851 -183465.2513 -149006.0707 299.1899 -191.4550 -154.9391 558490.4710 11.4213 11.4171 PRESSURE: 4344200 -184.157 59.7985 103.093 59.799 102.997 18.6501 103.092 18.6499 57.644 GPRESSURE: 4344200 -126.506 52.7789 185.335 157.235 50.3158 60.2831 68.6856 7.13972 131.836 PRESSAVG: 4344200 -11.3253 11.528 37.0327 11.528 -26.1326 -1.36914 37.0328 -1.3692 -0.815464 GPRESSAVG: 4344200 -11.2734 11.1373 39.6493 11.6048 -27.5143 1.27726 33.7466 -4.52184 -0.436572 TIMING: 4344200 CPU: 12905.3, 0.00293831/step Wall: 12905.3, 0.00293831/step, 0.535262 hours remaining, 209.035156 MB of memory in use. ENERGY: 4344200 743.0699 2118.6894 1954.4219 110.5702 -206189.1029 17771.5470 0.0000 0.0000 34332.5464 -149158.2581 299.8347 -183490.8045 -149060.0807 299.0049 -7.8388 18.5483 558088.3297 -12.7578 -13.0748 LDB: ============= START OF LOAD BALANCING ============== 12908.9 LDB: ============== END OF LOAD BALANCING =============== 12908.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12908.9 LDB: ============= START OF LOAD BALANCING ============== 12909.2 LDB: Largest compute 4796 load 0.022273 is 18.8% of average load 0.118234 LDB: Average compute 0.001738 is 1.5% of average load 0.118234 LDB: TIME 12909.2 LOAD: AVG 0.118234 MAX 0.195856 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.52 MB LDB: TIME 12909.2 LOAD: AVG 0.118234 MAX 0.195856 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.52 MB LDB: TIME 12909.2 LOAD: AVG 0.118234 MAX 0.195856 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12909.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12909.2 PRESSURE: 4344400 152.142 -95.839 -118.843 -95.8394 -31.0735 113.681 -118.842 113.682 96.2884 GPRESSURE: 4344400 151.075 -161.323 -124.816 -65.1824 -7.52677 150.666 -159.617 40.3328 167.081 PRESSAVG: 4344400 -46.5662 14.1711 -2.64269 14.1711 -34.4101 12.4018 -2.64281 12.4019 53.0598 GPRESSAVG: 4344400 -45.8587 14.7737 -3.69469 14.3123 -34.827 11.4061 -0.809309 12.8647 52.9898 TIMING: 4344400 CPU: 12905.9, 0.00300073/step Wall: 12905.9, 0.00300073/step, 0.546466 hours remaining, 208.765625 MB of memory in use. ENERGY: 4344400 740.3119 2113.9161 1936.6775 107.2641 -206168.3879 17957.5236 0.0000 0.0000 34448.5938 -148864.1008 300.8481 -183312.6947 -148769.3632 299.8582 72.4524 103.5432 558786.7458 -9.3055 -9.2319 PRESSURE: 4344600 34.7808 -192.922 -208.826 -192.922 6.46425 -30.7396 -208.825 -30.7405 -128.073 GPRESSURE: 4344600 52.2452 -189.77 -218.115 -166.811 59.9531 -67.185 -265.1 -83.1506 -109.475 PRESSAVG: 4344600 4.63922 -3.4269 -115.382 -3.42691 38.3069 0.420775 -115.382 0.420889 -42.9708 GPRESSAVG: 4344600 3.99502 -4.46966 -115.835 -0.712846 38.703 0.66754 -115.852 1.54736 -43.1631 TIMING: 4344600 CPU: 12906.5, 0.00294009/step Wall: 12906.5, 0.00294009/step, 0.53526 hours remaining, 208.964844 MB of memory in use. ENERGY: 4344600 755.6826 2072.3060 1942.8970 116.7039 -206015.8566 17821.0200 0.0000 0.0000 34515.8864 -148791.3607 301.4358 -183307.2471 -148699.8144 300.0908 -28.9427 0.9079 558289.0632 -0.0082 -0.1551 PRESSURE: 4344800 -12.9718 28.2395 -78.4086 28.2395 5.97758 -15.1103 -78.4087 -15.1124 115.361 GPRESSURE: 4344800 91.6025 -3.98965 -75.1318 -4.31299 -5.97999 -4.0778 -144.949 21.4661 120.21 PRESSAVG: 4344800 -1.95933 -58.4125 -13.632 -58.4125 10.7692 32.9623 -13.6321 32.9625 -32.8089 GPRESSAVG: 4344800 -1.51784 -57.7502 -14.5769 -60.2687 10.7225 32.4744 -13.467 34.0752 -33.1259 TIMING: 4344800 CPU: 12907.1, 0.00293891/step Wall: 12907.1, 0.00293891/step, 0.534881 hours remaining, 208.964844 MB of memory in use. ENERGY: 4344800 754.8582 2110.9174 1937.0245 124.1468 -205853.1364 17834.7370 0.0000 0.0000 34284.3067 -148807.1458 299.4134 -183091.4526 -148712.4790 300.3434 36.1223 68.6109 560364.7509 -7.9997 -7.9738 PRESSURE: 4345000 -241.262 5.57215 -103.362 5.57283 -264.087 257.773 -103.363 257.774 -9.01947 GPRESSURE: 4345000 -188.331 63.4829 -99.2184 -7.99244 -285.583 294.769 -107.163 225.298 59.2985 PRESSAVG: 4345000 -48.4995 13.3993 -30.7992 13.3993 17.4362 3.45894 -30.7991 3.45889 12.1636 GPRESSAVG: 4345000 -47.8696 11.4882 -28.2948 14.8805 16.9743 3.94663 -31.1704 0.669529 12.5921 TIMING: 4345000 CPU: 12907.7, 0.00296349/step Wall: 12907.7, 0.00296349/step, 0.539191 hours remaining, 208.964844 MB of memory in use. ENERGY: 4345000 753.6134 2095.8026 1931.1812 110.8806 -205505.3858 17440.4043 0.0000 0.0000 34353.4013 -148820.1025 300.0168 -183173.5038 -148735.1322 300.4032 -171.4563 -138.2052 559008.1603 -6.2999 -6.1011 PRESSURE: 4345200 -51.6977 90.7318 55.6164 90.7338 -130.277 114.332 55.6166 114.331 -38.9997 GPRESSURE: 4345200 -13.6925 92.3933 60.0089 54.2721 -73.1331 59.8632 8.17841 111.457 -53.55 PRESSAVG: 4345200 -65.9395 -31.6078 49.1454 -31.6079 24.2382 14.7306 49.1454 14.7306 59.4192 GPRESSAVG: 4345200 -66.1201 -31.2392 47.7719 -31.2488 24.1414 15.1491 50.3414 16.7649 59.3021 TIMING: 4345200 CPU: 12908.3, 0.00294371/step Wall: 12908.3, 0.00294371/step, 0.535428 hours remaining, 208.964844 MB of memory in use. ENERGY: 4345200 733.8513 2126.8102 1952.5582 126.6122 -206260.5479 17879.8374 0.0000 0.0000 34495.1801 -148945.6985 301.2550 -183440.8786 -148844.1470 300.8484 -73.6580 -46.7919 558236.0862 5.9060 5.7745 PRESSURE: 4345400 -149.562 -63.8921 102.35 -63.8911 -19.4207 76.1712 102.349 76.1709 -213.522 GPRESSURE: 4345400 -87.6179 -83.2671 204.575 -120.979 33.672 60.6782 77.8535 10.6971 -221.464 PRESSAVG: 4345400 -41.6811 -3.96107 15.9254 -3.96106 -11.3223 -39.198 15.9253 -39.1981 12.8518 GPRESSAVG: 4345400 -41.6284 -4.48593 14.5964 -3.90336 -10.9996 -40.5165 15.2485 -39.836 12.8668 TIMING: 4345400 CPU: 12908.9, 0.00291826/step Wall: 12908.9, 0.00291826/step, 0.530638 hours remaining, 208.964844 MB of memory in use. ENERGY: 4345400 747.5087 2101.5286 1929.9379 122.4370 -205969.0730 17720.9854 0.0000 0.0000 34438.2996 -148908.3758 300.7582 -183346.6754 -148815.0455 299.8653 -127.5016 -91.8031 559443.5725 -13.3839 -13.2537 PRESSURE: 4345600 -257.747 -175.58 163.653 -175.58 66.3521 -38.4991 163.652 -38.499 -193.018 GPRESSURE: 4345600 -198.842 -229.196 135.142 -190.795 26.0026 -106.863 71.2561 -37.4706 -129.736 PRESSAVG: 4345600 48.0326 -28.9627 -0.5991 -28.9627 12.2262 29.7938 -0.599077 29.7938 -55.3004 GPRESSAVG: 4345600 46.819 -28.9646 -0.000411389 -29.7184 12.8292 26.6021 -0.515816 30.5833 -54.5618 TIMING: 4345600 CPU: 12909.5, 0.00292368/step Wall: 12909.5, 0.00292368/step, 0.53146 hours remaining, 208.964844 MB of memory in use. ENERGY: 4345600 756.5921 2089.1329 1944.4223 120.0790 -205874.4162 17726.1006 0.0000 0.0000 34175.1049 -149062.9843 298.4597 -183238.0892 -148964.0750 300.6154 -128.1376 -100.8585 558275.3405 1.6528 1.6955 PRESSURE: 4345800 -211.46 34.5829 19.248 34.5829 93.8848 53.9776 19.2486 53.9771 340.386 GPRESSURE: 4345800 -149.522 16.8816 20.2872 6.19067 83.1538 11.0077 -28.2674 82.362 385.528 PRESSAVG: 4345800 -0.841366 39.5089 -34.3934 39.509 -31.7607 64.2534 -34.3934 64.2534 1.67602 GPRESSAVG: 4345800 0.771652 40.3954 -32.1382 40.1126 -32.4059 66.5267 -35.5033 65.2789 0.559653 TIMING: 4345800 CPU: 12910, 0.00293518/step Wall: 12910, 0.00293518/step, 0.533387 hours remaining, 208.964844 MB of memory in use. ENERGY: 4345800 714.1837 2126.4329 1971.6884 112.8093 -206545.5320 18055.1912 0.0000 0.0000 34643.8313 -148921.3953 302.5532 -183565.2266 -148829.5564 300.2593 74.2705 106.3865 559386.2709 -10.3087 -10.3582 PRESSURE: 4346000 -2.68485 -71.829 -49.9432 -71.8289 -183.661 65.5053 -49.9426 65.5047 35.7274 GPRESSURE: 4346000 58.0155 -14.8036 -26.8359 -157.124 -90.0691 -15.3321 8.27833 88.1875 -22.6039 PRESSAVG: 4346000 -5.23658 -1.14755 -12.9058 -1.14756 5.95582 35.5957 -12.9059 35.5958 4.06218 GPRESSAVG: 4346000 -6.52173 -2.36461 -15.2516 -3.53189 7.21253 36.9089 -12.4961 34.851 4.2443 TIMING: 4346000 CPU: 12910.6, 0.00292988/step Wall: 12910.6, 0.00292988/step, 0.532262 hours remaining, 208.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4346000 750.2345 2136.7722 1976.8368 118.4505 -206165.0048 17888.9453 0.0000 0.0000 34336.7314 -148957.0341 299.8712 -183293.7655 -148851.5385 300.4154 -50.2060 -18.2192 558891.6962 1.5938 1.6450 PRESSURE: 4346200 2.46916 78.1962 -68.9466 78.1943 60.542 157.489 -68.9476 157.489 -84.3489 GPRESSURE: 4346200 13.9931 66.2833 -22.9411 142.415 84.1415 216.887 -37.5351 127.41 -23.1305 PRESSAVG: 4346200 67.3401 -22.8028 -32.2379 -22.8028 -21.0604 8.6828 -32.2377 8.68281 -38.1332 GPRESSAVG: 4346200 67.917 -23.0267 -32.1274 -19.4996 -22.084 8.74543 -32.1897 8.20852 -37.62 TIMING: 4346200 CPU: 12911.2, 0.00293665/step Wall: 12911.2, 0.00293665/step, 0.533327 hours remaining, 208.964844 MB of memory in use. ENERGY: 4346200 754.6949 2109.1899 1956.4680 106.5287 -206364.3937 17996.0734 0.0000 0.0000 34297.2783 -149144.1604 299.5267 -183441.4387 -149048.0150 299.3135 -7.1126 25.0014 557961.3886 2.7155 2.7377 PRESSURE: 4346400 -31.5851 48.4479 -28.888 48.4481 37.7581 20.0362 -28.8869 20.0363 -167.202 GPRESSURE: 4346400 9.15812 45.8046 0.591902 51.5293 60.0688 -10.5491 57.6079 40.956 -140.063 PRESSAVG: 4346400 -18.859 33.9264 -51.1044 33.9263 6.47357 56.6933 -51.1043 56.6932 -23.6929 GPRESSAVG: 4346400 -19.9457 32.7751 -50.448 34.4607 6.74307 57.1822 -51.1977 57.1175 -23.0302 TIMING: 4346400 CPU: 12911.8, 0.00292892/step Wall: 12911.8, 0.00292892/step, 0.531762 hours remaining, 208.964844 MB of memory in use. ENERGY: 4346400 762.2344 2157.2551 1959.3166 99.2709 -206425.8644 17896.1564 0.0000 0.0000 34347.2247 -149204.4063 299.9629 -183551.6311 -149104.0176 299.1977 -53.6762 -23.6121 556424.8714 -12.0261 -12.0776 PRESSURE: 4346600 21.4049 140.517 -33.9752 140.519 -14.8306 49.2961 -33.9753 49.2951 216.899 GPRESSURE: 4346600 68.435 135.135 -59.3191 152.629 -29.0953 73.4947 -64.2409 26.9834 273.891 PRESSAVG: 4346600 27.5994 6.70239 -14.4241 6.70253 -58.419 11.1343 -14.4241 11.1344 46.6258 GPRESSAVG: 4346600 28.1047 8.45911 -14.2937 4.92455 -59.4605 10.8062 -13.7014 10.0594 46.526 TIMING: 4346600 CPU: 12912.4, 0.00294199/step Wall: 12912.4, 0.00294199/step, 0.53397 hours remaining, 208.964844 MB of memory in use. ENERGY: 4346600 762.8292 2146.4131 1942.9406 120.9541 -206466.5808 17912.8047 0.0000 0.0000 34272.0084 -149308.6308 299.3060 -183580.6391 -149212.7557 299.7883 74.4910 104.4102 556725.8794 5.2687 5.0567 PRESSURE: 4346800 -87.4037 -33.9762 -98.6117 -33.9773 -141.113 -119.894 -98.6117 -119.895 -59.1991 GPRESSURE: 4346800 -96.6383 -70.1358 -173.93 -69.7291 -128.35 -110.984 -107.581 -59.9978 39.1053 PRESSAVG: 4346800 61.6438 9.8867 67.1918 9.88675 -32.3712 53.6211 67.1919 53.6209 3.46274 GPRESSAVG: 4346800 61.1682 10.0228 66.0223 11.0145 -31.8696 54.405 65.0368 53.3454 4.27404 TIMING: 4346800 CPU: 12913, 0.00292654/step Wall: 12913, 0.00292654/step, 0.531005 hours remaining, 208.964844 MB of memory in use. ENERGY: 4346800 770.6356 2100.3866 1936.3800 125.4538 -205846.9161 17525.0927 0.0000 0.0000 34104.8318 -149284.1357 297.8460 -183388.9675 -149191.7637 298.8888 -95.9053 -61.9609 557601.1185 10.9118 11.1909 PRESSURE: 4347000 -112.164 -89.4325 5.25228 -89.4319 -119.374 -26.0335 5.25362 -26.0333 -21.2163 GPRESSURE: 4347000 -108.027 -36.4577 -15.9049 -143.992 -50.3984 -44.165 -0.362753 -114.269 -1.9672 PRESSAVG: 4347000 13.5503 -63.8808 16.0677 -63.8808 36.2685 -68.3877 16.0676 -68.3876 -44.1936 GPRESSAVG: 4347000 14.4946 -64.6383 17.2086 -65.4326 36.9204 -69.0268 19.1885 -67.1278 -45.7937 TIMING: 4347000 CPU: 12913.6, 0.00292555/step Wall: 12913.6, 0.00292555/step, 0.530662 hours remaining, 208.964844 MB of memory in use. ENERGY: 4347000 753.0495 2104.4060 1946.4912 118.0231 -206416.7038 17773.4104 0.0000 0.0000 34285.3397 -149435.9839 299.4224 -183721.3237 -149337.3988 298.5265 -84.2515 -53.4643 557264.3596 1.8751 1.8737 PRESSURE: 4347200 -196.699 105.164 -16.7103 105.164 61.3634 -61.1189 -16.7098 -61.1177 -41.9808 GPRESSURE: 4347200 -154.721 127.789 -12.1653 119.892 56.2141 -23.5774 -18.8607 -84.5596 10.7234 PRESSAVG: 4347200 -17.2939 1.27934 -11.7455 1.27937 -6.41045 5.73518 -11.7455 5.73525 55.5213 GPRESSAVG: 4347200 -17.744 3.26683 -14.1704 2.38359 -6.46556 4.81183 -12.5819 4.99461 56.2881 TIMING: 4347200 CPU: 12914.1, 0.00292314/step Wall: 12914.1, 0.00292314/step, 0.530063 hours remaining, 208.964844 MB of memory in use. ENERGY: 4347200 750.4414 2032.7976 1909.3124 121.4368 -206333.3236 17777.2510 0.0000 0.0000 34225.2600 -149516.8243 298.8977 -183742.0843 -149422.4319 298.7747 -59.1056 -29.2613 557683.5296 10.6056 10.6928 PRESSURE: 4347400 -97.3939 42.1036 -81.3867 42.1049 43.3988 136.658 -81.3868 136.659 199.567 GPRESSURE: 4347400 -31.4227 73.4201 -125.62 86.1446 31.1386 40.8947 -42.8499 209.485 245.781 PRESSAVG: 4347400 55.3765 42.7238 -47.6478 42.7238 24.8888 14.0107 -47.6478 14.0107 -48.5504 GPRESSAVG: 4347400 55.3992 43.0792 -45.5006 42.3905 24.5408 14.0738 -48.9158 12.73 -48.7325 TIMING: 4347400 CPU: 12914.7, 0.0029155/step Wall: 12914.7, 0.0029155/step, 0.528515 hours remaining, 208.964844 MB of memory in use. ENERGY: 4347400 770.2080 2068.2684 1914.2627 119.3350 -206682.2727 18193.6025 0.0000 0.0000 34054.4038 -149562.1923 297.4056 -183616.5961 -149467.2609 297.9331 48.5240 81.8324 555951.6621 10.5716 10.4025 PRESSURE: 4347600 -36.9766 127.586 10.3121 127.585 -96.292 84.791 10.3114 84.7901 15.3227 GPRESSURE: 4347600 -70.3919 69.6785 52.3925 47.7417 12.2487 56.6116 -25.5702 128.305 45.0563 PRESSAVG: 4347600 12.6861 -15.4709 -25.2016 -15.471 0.952895 -17.6289 -25.2016 -17.6289 -23.7802 GPRESSAVG: 4347600 13.0759 -17.8686 -26.9553 -14.7048 1.10185 -15.8997 -23.989 -16.7588 -24.0374 TIMING: 4347600 CPU: 12915.3, 0.00291537/step Wall: 12915.3, 0.00291537/step, 0.528329 hours remaining, 208.964844 MB of memory in use. ENERGY: 4347600 767.9710 2050.1021 1911.2277 107.8940 -206446.5145 17956.3907 0.0000 0.0000 34087.1119 -149565.8170 297.6912 -183652.9289 -149469.6505 298.1686 -39.3153 -4.3623 556638.1684 -3.3804 -3.2866 PRESSURE: 4347800 122.325 -23.1072 47.2907 -23.1097 -51.1082 155.195 47.2915 155.194 41.253 GPRESSURE: 4347800 144.047 -34.7717 -18.9404 103.053 0.983382 184.33 70.6052 126.128 63.6721 PRESSAVG: 4347800 7.68407 -6.66858 -20.0926 -6.66849 75.8336 13.692 -20.0926 13.692 6.49641 GPRESSAVG: 4347800 8.28318 -6.00534 -19.1201 -6.30448 75.5422 12.3786 -20.1268 14.2672 6.0096 TIMING: 4347800 CPU: 12915.9, 0.00292407/step Wall: 12915.9, 0.00292407/step, 0.529743 hours remaining, 208.964844 MB of memory in use. ENERGY: 4347800 744.4706 2058.5214 1922.6254 136.1953 -206543.6085 17965.1024 0.0000 0.0000 34162.7892 -149553.9043 298.3521 -183716.6935 -149465.6467 297.9090 37.4900 69.5674 557116.4849 30.0047 29.9450 PRESSURE: 4348000 22.624 -60.6192 -109.464 -60.6192 76.1291 -40.0064 -109.463 -40.0057 141.54 GPRESSURE: 4348000 64.3516 -112.877 -83.8517 -20.7919 93.2373 58.2018 -106.758 -64.4743 178.638 PRESSAVG: 4348000 45.7037 20.5041 28.067 20.5041 -14.7934 33.0913 28.0669 33.0911 -46.8567 GPRESSAVG: 4348000 45.9471 19.2291 27.6995 20.2788 -15.3779 33.8034 25.8049 34.9404 -46.5327 TIMING: 4348000 CPU: 12916.5, 0.00298156/step Wall: 12916.5, 0.00298156/step, 0.539994 hours remaining, 208.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4348000 761.9475 2056.7416 1924.2108 114.6153 -206857.2356 18079.1863 0.0000 0.0000 34380.6130 -149539.9210 300.2544 -183920.5341 -149449.2218 298.4504 80.0976 112.0757 556983.9864 -5.3155 -5.3212 PRESSURE: 4348200 84.8339 22.4258 71.1884 22.4261 -129.951 55.008 71.1895 55.0081 -67.7571 GPRESSURE: 4348200 100.868 51.543 -34.141 -5.44164 -115.474 -7.51483 80.6551 125.443 -0.860852 PRESSAVG: 4348200 6.74901 -29.085 28.3725 -29.085 -65.1053 -4.53323 28.3725 -4.53335 55.964 GPRESSAVG: 4348200 7.82531 -28.5841 28.2766 -29.8507 -65.1332 -5.44987 29.2551 -6.65693 55.488 TIMING: 4348200 CPU: 12917.1, 0.0029516/step Wall: 12917.1, 0.0029516/step, 0.534404 hours remaining, 208.964844 MB of memory in use. ENERGY: 4348200 752.6831 2026.3852 1947.8212 102.7036 -206233.8120 17846.8302 0.0000 0.0000 34118.1941 -149439.1946 297.9627 -183557.3887 -149342.0549 298.4659 -37.6247 -5.1555 557015.3664 -0.7974 -0.6066 LDB: ============= START OF LOAD BALANCING ============== 12920.6 LDB: ============== END OF LOAD BALANCING =============== 12920.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12920.6 LDB: ============= START OF LOAD BALANCING ============== 12920.9 LDB: Largest compute 4796 load 0.021740 is 18.4% of average load 0.118203 LDB: Average compute 0.001741 is 1.5% of average load 0.118203 LDB: TIME 12920.9 LOAD: AVG 0.118203 MAX 0.196834 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.996 MB LDB: TIME 12920.9 LOAD: AVG 0.118203 MAX 0.196834 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: TIME 12920.9 LOAD: AVG 0.118203 MAX 0.196834 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: ============== END OF LOAD BALANCING =============== 12920.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12920.9 PRESSURE: 4348400 -509.119 -145.966 -86.3359 -145.965 -234.215 -121.147 -86.3366 -121.147 -359.489 GPRESSURE: 4348400 -486.83 -98.099 -25.4946 -218.842 -204.816 -73.6781 -141.17 -166.862 -315.871 PRESSAVG: 4348400 20.0925 -4.0936 9.80551 -4.09365 -19.5692 35.1871 9.8055 35.1872 -32.7573 GPRESSAVG: 4348400 20.1227 -1.36544 9.72897 -3.72842 -20.4793 35.0486 9.93623 38.4421 -32.1131 TIMING: 4348400 CPU: 12917.7, 0.00302429/step Wall: 12917.7, 0.00302429/step, 0.547396 hours remaining, 208.000000 MB of memory in use. ENERGY: 4348400 763.6481 2055.2605 1907.1760 99.5022 -205449.1257 17159.0687 0.0000 0.0000 33969.3445 -149495.1257 296.6627 -183464.4703 -149394.9196 298.3388 -367.6074 -335.8394 557873.2262 -10.7447 -10.8233 PRESSURE: 4348600 17.4852 -45.2539 -149.703 -45.2533 -31.1842 -26.7272 -149.703 -26.7266 -22.0828 GPRESSURE: 4348600 33.3105 -110.643 -183.002 -71.7131 64.6039 -125.477 -85.3066 69.4557 -40.2193 PRESSAVG: 4348600 2.9948 4.45246 4.13174 4.45236 -4.16435 22.6068 4.13174 22.6068 -7.78947 GPRESSAVG: 4348600 3.03931 2.38641 5.59229 4.1594 -3.72352 25.128 3.57694 19.3819 -8.45621 TIMING: 4348600 CPU: 12918.3, 0.00296087/step Wall: 12918.3, 0.00296087/step, 0.535753 hours remaining, 208.257812 MB of memory in use. ENERGY: 4348600 737.8161 2104.6776 1888.6541 101.2425 -205993.4122 17623.8151 0.0000 0.0000 34020.3441 -149516.8626 297.1081 -183537.2067 -149427.0575 298.1805 -11.9273 19.2317 555938.5893 -2.9863 -3.0468 PRESSURE: 4348800 55.5522 -50.8049 -7.18292 -50.8052 34.2857 -21.1275 -7.18261 -21.1261 16.0158 GPRESSURE: 4348800 112.691 -59.0098 -9.08989 -78.564 107.54 -20.3542 17.0454 3.00728 -26.8488 PRESSAVG: 4348800 45.4927 -25.9424 -10.0506 -25.9424 -29.5661 -43.4714 -10.0506 -43.4714 -44.5667 GPRESSAVG: 4348800 45.5484 -26.0573 -9.13505 -26.6136 -29.7028 -45.9252 -9.77046 -41.536 -44.2139 TIMING: 4348800 CPU: 12918.9, 0.00294583/step Wall: 12918.9, 0.00294583/step, 0.532869 hours remaining, 208.257812 MB of memory in use. ENERGY: 4348800 723.5594 2057.9600 1919.3071 109.5712 -206387.2204 17751.3281 0.0000 0.0000 34089.5690 -149735.9257 297.7127 -183825.4947 -149642.6852 297.9981 35.2846 64.4604 556384.3106 -9.5467 -9.4561 PRESSURE: 4349000 67.2918 -160.604 18.9413 -160.604 59.517 175.956 18.9422 175.956 -30.1923 GPRESSURE: 4349000 90.0716 -127.924 30.6101 -164.415 132.428 93.7362 9.0921 199.239 -26.0704 PRESSAVG: 4349000 42.3778 -32.3401 22.9333 -32.3402 16.3173 3.35271 22.9332 3.35276 -21.1011 GPRESSAVG: 4349000 41.5446 -32.1517 21.0874 -31.5824 16.7649 2.33084 21.634 4.25222 -20.7043 TIMING: 4349000 CPU: 12919.5, 0.00297633/step Wall: 12919.5, 0.00297633/step, 0.53822 hours remaining, 208.257812 MB of memory in use. ENERGY: 4349000 748.0881 2074.0721 1924.0343 94.1926 -206609.5349 17891.0700 0.0000 0.0000 34281.1190 -149596.9589 299.3855 -183878.0779 -149495.2526 298.3243 32.2055 65.4765 556693.3062 12.5313 12.5351 PRESSURE: 4349200 -156.725 66.7881 -35.6785 66.7892 59.595 -42.3832 -35.6778 -42.3835 460.213 GPRESSURE: 4349200 -165.187 52.1271 -16.2314 13.5311 159.77 -39.2137 -74.8106 -21.4118 471.959 PRESSAVG: 4349200 -10.7843 -50.3261 -15.5719 -50.326 10.5167 6.01499 -15.5718 6.01497 13.0702 GPRESSAVG: 4349200 -10.6883 -49.3879 -15.8152 -51.3773 10.2236 9.3328 -15.4347 4.27546 13.6964 TIMING: 4349200 CPU: 12920.1, 0.00297564/step Wall: 12920.1, 0.00297564/step, 0.53793 hours remaining, 208.257812 MB of memory in use. ENERGY: 4349200 702.5102 2066.1740 1962.7507 118.3504 -206174.7851 17880.1866 0.0000 0.0000 33994.3493 -149450.4637 296.8811 -183444.8131 -149351.2445 298.5684 121.0277 155.5137 556792.8831 4.2675 4.4106 PRESSURE: 4349400 37.0919 -25.4809 -18.2793 -25.481 -19.3218 -32.7378 -18.2794 -32.7371 31.106 GPRESSURE: 4349400 -19.5029 15.6191 -21.8571 -88.2081 29.6431 -9.51759 4.77568 -43.2604 131.216 PRESSAVG: 4349400 -43.915 8.06738 2.90254 8.06749 12.6302 9.08315 2.90251 9.08323 18.8307 GPRESSAVG: 4349400 -43.0391 7.22795 3.71741 8.4521 12.3756 6.4046 4.01208 9.36786 17.8823 TIMING: 4349400 CPU: 12920.7, 0.00296806/step Wall: 12920.7, 0.00296806/step, 0.536394 hours remaining, 208.257812 MB of memory in use. ENERGY: 4349400 746.3767 2102.8874 1917.6518 107.6145 -206605.6974 17967.3035 0.0000 0.0000 34150.8195 -149613.0439 298.2476 -183763.8635 -149518.9944 298.9426 16.2921 47.1188 556555.4824 -4.1514 -4.2604 PRESSURE: 4349600 42.8308 44.9691 58.6617 44.9688 -140.814 -105.52 58.6612 -105.519 -276.509 GPRESSURE: 4349600 36.3439 37.2569 -32.7062 -41.1237 -116.008 -93.4384 94.0772 -68.5422 -201.869 PRESSAVG: 4349600 -13.1713 42.0178 -1.18012 42.0178 48.5005 -3.36983 -1.18015 -3.36991 -34.529 GPRESSAVG: 4349600 -15.1377 40.1666 0.304996 41.7489 49.5893 -3.02813 0.230364 -3.27752 -33.9675 TIMING: 4349600 CPU: 12921.2, 0.00296822/step Wall: 12921.2, 0.00296822/step, 0.536258 hours remaining, 208.257812 MB of memory in use. ENERGY: 4349600 731.4804 2057.5599 1927.8900 122.5206 -206498.5589 17767.8443 0.0000 0.0000 34260.0547 -149631.2090 299.2016 -183891.2637 -149540.0589 298.2634 -124.8307 -93.8443 556318.2593 0.2667 0.1614 PRESSURE: 4349800 -120.165 51.5231 -161.948 51.524 -135.829 91.436 -161.948 91.4364 8.94414 GPRESSURE: 4349800 -83.0539 59.1509 -184.72 25.6785 -106.372 122.451 -84.2171 95.336 40.5464 PRESSAVG: 4349800 18.3081 -7.34587 -7.81998 -7.34584 4.5023 -30.5599 -7.82002 -30.56 -8.35957 GPRESSAVG: 4349800 19.0604 -4.20008 -10.1681 -7.99718 3.94158 -28.8382 -8.42734 -30.6781 -8.34538 TIMING: 4349800 CPU: 12921.8, 0.00297606/step Wall: 12921.8, 0.00297606/step, 0.537509 hours remaining, 208.257812 MB of memory in use. ENERGY: 4349800 732.4919 2110.3423 1944.1896 119.9639 -206324.2102 17708.8542 0.0000 0.0000 34040.7526 -149667.6156 297.2864 -183708.3683 -149576.4201 298.2337 -82.3498 -49.6265 556627.2060 4.8169 4.8855 PRESSURE: 4350000 -405.753 302.24 47.9422 302.24 -148.238 -160.144 47.9421 -160.145 -213.535 GPRESSURE: 4350000 -347.6 240.527 28.8518 383.415 -124.63 -150.436 103.296 -47.7294 -185.322 PRESSAVG: 4350000 -23.1661 43.0384 -20.5484 43.0385 1.05368 15.7817 -20.5484 15.7818 10.1849 GPRESSAVG: 4350000 -23.0007 41.4178 -20.4547 43.0637 2.54752 15.2965 -21.338 16.9201 8.06272 TIMING: 4350000 CPU: 12922.4, 0.00297267/step Wall: 12922.4, 0.00297267/step, 0.536731 hours remaining, 208.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4350000 767.6554 2061.2101 1921.5011 112.9507 -206282.5012 17760.6116 0.0000 0.0000 34170.4602 -149488.1122 298.4191 -183658.5724 -149404.2023 298.3973 -255.8419 -219.1839 557290.4402 -3.9758 -4.1302 PRESSURE: 4350200 117.568 -83.6216 40.426 -83.6218 288.829 57.5196 40.4257 57.519 47.0938 GPRESSURE: 4350200 143.878 52.3608 150.838 -78.9927 304.186 118.988 -46.7211 -29.3709 91.6724 PRESSAVG: 4350200 57.546 64.4435 15.9106 64.4434 36.778 2.91723 15.9106 2.91733 -53.4273 GPRESSAVG: 4350200 57.4866 65.0906 17.7678 65.16 36.3914 3.27853 14.5753 2.20192 -52.6916 TIMING: 4350200 CPU: 12923, 0.00298248/step Wall: 12923, 0.00298248/step, 0.538338 hours remaining, 208.257812 MB of memory in use. ENERGY: 4350200 720.8465 2128.8384 1920.5114 115.1466 -207119.7656 18176.9710 0.0000 0.0000 34616.4385 -149441.0133 302.3140 -184057.4517 -149346.8996 298.9945 151.1637 179.9120 555540.0245 13.6322 13.7288 PRESSURE: 4350400 -11.5477 -198.085 -129.646 -198.084 -80.0685 50.2594 -129.647 50.2568 14.5618 GPRESSURE: 4350400 53.5429 -165.311 -147.435 -245.484 -63.1859 13.3419 -116.194 23.7198 32.2016 PRESSAVG: 4350400 14.6419 50.6219 25.0692 50.622 -25.165 19.7345 25.0692 19.7345 55.6254 GPRESSAVG: 4350400 14.3839 50.1294 22.1249 49.7205 -25.3166 20.746 25.6457 18.036 56.1897 TIMING: 4350400 CPU: 12923.6, 0.00296114/step Wall: 12923.6, 0.00296114/step, 0.53432 hours remaining, 208.257812 MB of memory in use. ENERGY: 4350400 739.4008 2138.5256 1935.0225 102.7134 -206386.0695 17772.9818 0.0000 0.0000 34130.2503 -149567.1750 298.0680 -183697.4253 -149477.2526 299.0153 -25.6848 7.5196 556051.7760 15.0341 15.0857 PRESSURE: 4350600 -64.8743 180.915 -139.811 180.914 16.4353 -126.612 -139.812 -126.614 314.525 GPRESSURE: 4350600 -36.7946 87.1264 -116.371 171.584 55.5054 -150.385 -152.791 -128.726 341.789 PRESSAVG: 4350600 -13.6322 -26.8259 -6.32934 -26.826 -34.5485 -29.1098 -6.32939 -29.1098 3.64471 GPRESSAVG: 4350600 -12.2228 -27.3907 -5.91695 -26.2808 -35.6114 -29.4715 -6.56998 -28.7334 3.12423 TIMING: 4350600 CPU: 12924.2, 0.00292589/step Wall: 12924.2, 0.0029259/step, 0.527799 hours remaining, 208.257812 MB of memory in use. ENERGY: 4350600 728.5726 2070.3362 1938.8687 103.4722 -206801.3232 18011.4929 0.0000 0.0000 34322.2730 -149626.3076 299.7449 -183948.5806 -149524.2213 298.6915 88.6955 120.1665 555937.3530 -14.8453 -14.9033 PRESSURE: 4350800 -23.938 38.7208 86.8421 38.7214 -76.9729 -36.4274 86.8433 -36.428 -199.226 GPRESSURE: 4350800 18.9433 48.697 132.745 3.24471 -48.6621 -21.0494 25.6319 -71.4666 -171.371 PRESSAVG: 4350800 13.2082 -52.7802 -7.91515 -52.7803 -59.2368 -2.6006 -7.91508 -2.60066 10.9267 GPRESSAVG: 4350800 13.3975 -52.6921 -6.08555 -51.9907 -58.8838 -3.6369 -7.69544 -2.21803 10.1411 TIMING: 4350800 CPU: 12924.8, 0.0029266/step Wall: 12924.8, 0.0029266/step, 0.527763 hours remaining, 208.257812 MB of memory in use. ENERGY: 4350800 765.4206 2091.9393 1943.5319 108.3031 -206066.8732 17578.5734 0.0000 0.0000 34184.5297 -149394.5754 298.5420 -183579.1050 -149306.5180 298.3827 -100.0455 -67.0299 556496.9077 -11.7006 -11.7817 PRESSURE: 4351000 -27.8775 -93.5351 66.5942 -93.535 -19.0649 14.3451 66.5951 14.346 -189.727 GPRESSURE: 4351000 36.6085 -55.3244 2.26729 -18.6899 0.398281 2.41984 19.1511 -24.7804 -177.996 PRESSAVG: 4351000 -39.552 -18.1124 38.7786 -18.1123 -21.5462 36.1572 38.7785 36.1572 -2.30316 GPRESSAVG: 4351000 -39.9564 -17.3861 36.42 -19.7889 -21.6266 37.8936 40.8337 34.6229 -2.08601 TIMING: 4351000 CPU: 12925.4, 0.00292076/step Wall: 12925.4, 0.00292076/step, 0.526547 hours remaining, 208.257812 MB of memory in use. ENERGY: 4351000 741.2788 2120.9390 1949.7633 118.5936 -206006.7231 17603.9169 0.0000 0.0000 34018.5473 -149453.6841 297.0924 -183472.2315 -149361.8510 298.6035 -78.8897 -46.9965 556326.6755 -21.1338 -21.2230 PRESSURE: 4351200 91.2301 -242.802 4.91804 -242.803 33.2094 27.5512 4.91935 27.552 -109.977 GPRESSURE: 4351200 122.567 -177.931 -0.86686 -212.048 71.5562 -58.2352 -24.8363 -72.7712 -67.6859 PRESSAVG: 4351200 0.647203 19.2787 12.8888 19.2788 73.5779 -4.6954 12.8888 -4.69534 -55.1544 GPRESSAVG: 4351200 2.23196 17.8361 16.6094 20.5542 72.8852 -6.37944 9.83014 -1.20779 -55.6996 TIMING: 4351200 CPU: 12926, 0.0029355/step Wall: 12926, 0.0029355/step, 0.529042 hours remaining, 208.257812 MB of memory in use. ENERGY: 4351200 746.3218 2190.0707 1943.5871 104.2011 -206333.6387 17737.5029 0.0000 0.0000 34156.3140 -149455.6410 298.2956 -183611.9550 -149365.9532 298.6824 4.8209 42.1458 557861.4023 6.3569 6.4725 PRESSURE: 4351400 387.636 -21.4113 29.5706 -21.4126 246.552 -68.8011 29.5696 -68.8005 -282.59 GPRESSURE: 4351400 399.294 -60.491 24.0099 11.2527 285.176 -47.3028 -10.6304 -131.942 -242.424 PRESSAVG: 4351400 57.9351 -59.7934 24.5519 -59.7934 19.7659 -31.0464 24.5519 -31.0464 -50.3437 GPRESSAVG: 4351400 55.8149 -60.9315 21.2654 -59.8727 19.8454 -29.6421 25.1997 -32.1811 -48.6026 TIMING: 4351400 CPU: 12926.6, 0.00295981/step Wall: 12926.6, 0.00295981/step, 0.533259 hours remaining, 208.257812 MB of memory in use. ENERGY: 4351400 732.2821 2093.4668 1945.6754 123.8529 -206439.6098 17947.6474 0.0000 0.0000 34327.5424 -149269.1428 299.7910 -183596.6852 -149170.7700 299.1499 117.1994 147.3486 556447.6620 9.1191 9.0192 PRESSURE: 4351600 -133.029 48.115 -94.3742 48.1145 -20.6983 -45.8159 -94.3734 -45.8172 176.091 GPRESSURE: 4351600 -59.4357 1.32173 -113.935 63.7612 18.7055 15.792 -66.703 -29.3196 156.132 PRESSAVG: 4351600 113.757 -62.768 4.33944 -62.7681 6.6745 27.8018 4.33953 27.8018 -80.6898 GPRESSAVG: 4351600 113.855 -60.3384 6.41255 -61.5154 7.84158 28.5058 4.17362 26.1799 -82.4386 TIMING: 4351600 CPU: 12927.1, 0.00294277/step Wall: 12927.1, 0.00294277/step, 0.530025 hours remaining, 208.257812 MB of memory in use. ENERGY: 4351600 781.6918 2051.7228 1943.6009 116.4203 -206410.4602 17966.9228 0.0000 0.0000 34444.7784 -149105.3232 300.8148 -183550.1016 -149008.7933 299.8840 7.4545 38.4672 557635.4113 13.2472 13.0860 PRESSURE: 4351800 -42.7919 -36.7469 -7.25423 -36.7463 -179.183 4.31292 -7.25468 4.31307 -217.793 GPRESSURE: 4351800 -39.713 -37.6918 -74.7371 -85.4624 -157.042 91.9963 81.1937 3.10696 -154.659 PRESSAVG: 4351800 27.7565 -11.1677 -4.9859 -11.1678 22.2562 -14.5958 -4.98579 -14.5959 -49.0739 GPRESSAVG: 4351800 27.4429 -13.4258 -6.19647 -10.3089 22.1985 -17.13 -3.63521 -10.6353 -48.8998 TIMING: 4351800 CPU: 12927.7, 0.00292188/step Wall: 12927.7, 0.00292188/step, 0.526101 hours remaining, 208.257812 MB of memory in use. ENERGY: 4351800 747.7696 2083.0925 1925.7943 122.0246 -205866.4267 17567.0145 0.0000 0.0000 34300.0296 -149120.7015 299.5507 -183420.7311 -149019.6866 299.9060 -146.5894 -117.1377 557358.2612 0.3129 0.2472 PRESSURE: 4352000 -8.02226 147.153 100.998 147.152 22.2156 111.692 100.998 111.692 112.339 GPRESSURE: 4352000 -76.5365 154.267 84.1319 186.596 90.9243 126.97 111.901 -11.2965 219.83 PRESSAVG: 4352000 25.6723 59.7265 22.3488 59.7265 8.74984 11.3164 22.3487 11.3165 -43.4578 GPRESSAVG: 4352000 26.2417 61.9644 22.3716 58.2579 8.38931 12.8508 22.8701 7.47432 -43.245 TIMING: 4352000 CPU: 12928.3, 0.00292696/step Wall: 12928.3, 0.00292696/step, 0.526852 hours remaining, 208.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4352000 761.4379 2125.4078 1928.0679 128.9724 -206252.2592 17884.9043 0.0000 0.0000 34370.9253 -149052.5437 300.1698 -183423.4689 -148948.5677 299.4912 42.1774 78.0726 556644.1228 -3.0119 -2.8713 PRESSURE: 4352200 144.828 18.6101 25.2144 18.6102 -380.824 69.08 25.2143 69.0805 -207.891 GPRESSURE: 4352200 137.363 16.6574 15.9564 -33.1367 -328.031 84.9977 92.4343 88.9312 -146.899 PRESSAVG: 4352200 62.1517 13.2526 5.82568 13.2526 2.27404 5.42505 5.82557 5.42502 -39.6757 GPRESSAVG: 4352200 62.0034 12.4035 6.20252 14.2144 1.95876 5.01878 5.91088 6.74802 -39.0001 TIMING: 4352200 CPU: 12928.9, 0.0029384/step Wall: 12928.9, 0.0029384/step, 0.528748 hours remaining, 208.257812 MB of memory in use. ENERGY: 4352200 743.9365 2137.9528 1937.3769 118.6166 -205664.2950 17404.2570 0.0000 0.0000 34298.3544 -149023.8008 299.5361 -183322.1552 -148926.8233 300.0134 -147.9623 -112.5221 557352.0989 8.2500 8.3207 LDB: ============= START OF LOAD BALANCING ============== 12932.4 LDB: ============== END OF LOAD BALANCING =============== 12932.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12932.4 LDB: ============= START OF LOAD BALANCING ============== 12932.7 LDB: Largest compute 4802 load 0.022557 is 19.1% of average load 0.118230 LDB: Average compute 0.001745 is 1.5% of average load 0.118230 LDB: TIME 12932.7 LOAD: AVG 0.11823 MAX 0.197044 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.195 MB LDB: TIME 12932.7 LOAD: AVG 0.11823 MAX 0.197044 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.207 MB LDB: TIME 12932.7 LOAD: AVG 0.11823 MAX 0.197044 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.207 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12932.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12932.8 PRESSURE: 4352400 -3.67035 4.06122 32.7861 4.06316 -252.735 25.5498 32.7859 25.5492 445.795 GPRESSURE: 4352400 4.51292 78.5831 94.9004 58.689 -158.409 22.4716 -55.7066 73.5597 433.808 PRESSAVG: 4352400 -24.3091 -43.7713 5.22947 -43.7713 6.58843 -33.7184 5.22946 -33.7184 7.22987 GPRESSAVG: 4352400 -24.5579 -43.4998 4.55214 -43.9187 6.89982 -34.8229 4.54747 -31.5302 7.03939 TIMING: 4352400 CPU: 12929.5, 0.00299832/step Wall: 12929.5, 0.00299832/step, 0.539364 hours remaining, 210.343750 MB of memory in use. ENERGY: 4352400 778.5235 2074.1258 1921.5222 120.6700 -206102.2552 17831.8195 0.0000 0.0000 34538.5678 -148837.0265 301.6339 -183375.5943 -148740.2395 300.1085 63.1299 93.3038 555952.2862 -3.4969 -3.5396 PRESSURE: 4352600 -221.272 -0.883478 -106.217 -0.883154 -414.5 16.3476 -106.218 16.3476 -245.511 GPRESSURE: 4352600 -177.462 -83.2041 -142.342 45.8326 -347.875 -3.11895 64.7335 -2.86565 -258.773 PRESSAVG: 4352600 -2.28587 -22.1403 -36.8948 -22.1403 3.60382 -22.2894 -36.8948 -22.2894 18.159 GPRESSAVG: 4352600 -3.54768 -22.0283 -37.0494 -21.7948 4.87656 -21.8885 -35.8063 -23.9139 18.1893 TIMING: 4352600 CPU: 12930.1, 0.00294156/step Wall: 12930.1, 0.00294156/step, 0.528991 hours remaining, 210.343750 MB of memory in use. ENERGY: 4352600 779.5061 2123.4267 1923.2961 108.4077 -205428.6975 17394.9631 0.0000 0.0000 34443.1183 -148655.9795 300.8003 -183099.0979 -148552.6305 301.5974 -293.7611 -261.3700 557120.4140 6.4923 6.5061 PRESSURE: 4352800 428.537 6.14808 -42.7074 6.14804 -15.8219 -35.0811 -42.7078 -35.08 377.762 GPRESSURE: 4352800 446.973 31.6047 -34.2548 -27.2749 70.2821 -12.7716 -57.0608 14.5168 381.029 PRESSAVG: 4352800 61.6992 -23.3843 -44.3076 -23.3844 -81.7371 22.6306 -44.3075 22.6306 3.6582 GPRESSAVG: 4352800 63.7245 -24.9304 -42.6185 -25.388 -82.891 19.2653 -44.3755 25.3095 2.82507 TIMING: 4352800 CPU: 12930.7, 0.00292279/step Wall: 12930.7, 0.00292279/step, 0.525452 hours remaining, 210.343750 MB of memory in use. ENERGY: 4352800 725.2643 2119.7541 1955.0077 105.2885 -205962.7608 17983.5770 0.0000 0.0000 34469.6946 -148604.1745 301.0324 -183073.8691 -148506.0001 300.8605 263.4922 299.4280 556371.6138 -5.4599 -5.4472 PRESSURE: 4353000 122.372 -127.765 -15.2898 -127.765 -6.08863 -34.0982 -15.2889 -34.0981 350.03 GPRESSURE: 4353000 164.466 -46.2895 -32.1499 -135.392 22.5282 -181.647 69.2167 20.3425 384.265 PRESSAVG: 4353000 35.6314 -13.2198 6.24014 -13.2197 -20.5087 -8.6526 6.24009 -8.6526 9.69798 GPRESSAVG: 4353000 34.8019 -9.86141 5.65974 -13.6598 -20.1667 -4.33779 4.74089 -11.2223 10.5413 TIMING: 4353000 CPU: 12931.3, 0.00296035/step Wall: 12931.3, 0.00296035/step, 0.532041 hours remaining, 210.343750 MB of memory in use. ENERGY: 4353000 727.3083 2140.9306 1931.0626 120.4508 -205557.6500 17779.9493 0.0000 0.0000 34311.4924 -148546.4560 299.6508 -182857.9484 -148448.7231 300.6877 155.4377 190.4196 557639.7619 8.2736 8.3921 PRESSURE: 4353200 67.2431 -105.756 -1.80252 -105.755 243.546 -72.256 -1.80233 -72.2565 100.604 GPRESSURE: 4353200 117.408 -31.2776 -5.01487 -109.097 269.665 -69.3525 -51.4748 -93.5821 118.365 PRESSAVG: 4353200 29.6906 -27.619 -27.3798 -27.6191 -14.1714 16.9718 -27.3798 16.9718 -34.4937 GPRESSAVG: 4353200 30.3017 -27.3286 -28.5472 -27.6695 -15.8824 15.0045 -26.5398 18.5557 -33.4873 TIMING: 4353200 CPU: 12931.9, 0.00292899/step Wall: 12931.9, 0.00292899/step, 0.526242 hours remaining, 210.343750 MB of memory in use. ENERGY: 4353200 745.7671 2127.0844 1926.1945 114.6350 -206001.2161 17988.1432 0.0000 0.0000 34469.4640 -148629.9279 301.0304 -183099.3919 -148534.0399 300.6620 137.1307 168.4791 557326.3187 -6.3249 -6.3560 PRESSURE: 4353400 79.0963 -25.2402 -15.8977 -25.2407 -94.4646 -21.5512 -15.8986 -21.5499 -151.896 GPRESSURE: 4353400 132.602 28.9503 -21.5591 -90.0355 -59.7631 30.5596 26.4044 -13.5239 -140.076 PRESSAVG: 4353400 1.32319 39.9591 22.3808 39.9591 27.4385 -17.3735 22.3807 -17.3734 -34.8896 GPRESSAVG: 4353400 -0.0877433 38.3243 20.8168 41.0752 28.7798 -16.49 21.9609 -19.1485 -34.4565 TIMING: 4353400 CPU: 12932.4, 0.00293102/step Wall: 12932.4, 0.00293102/step, 0.526443 hours remaining, 210.601562 MB of memory in use. ENERGY: 4353400 729.3593 2076.2659 1948.2841 111.1803 -205187.5619 17581.9261 0.0000 0.0000 34352.4688 -148388.0774 300.0087 -182740.5462 -148293.1624 301.2940 -55.7548 -22.4123 558523.7706 -2.0427 -1.9215 PRESSURE: 4353600 -84.5546 14.6489 -10.6279 14.6486 197.617 98.0487 -10.6289 98.0493 9.32656 GPRESSURE: 4353600 -57.7368 -43.8625 0.645878 8.23246 255.763 64.2483 -67.6493 54.8475 22.086 PRESSAVG: 4353600 -16.0395 7.513 41.5841 7.51304 8.69556 23.502 41.584 23.502 -7.10643 GPRESSAVG: 4353600 -15.8092 8.20578 43.918 6.17473 10.1981 22.7393 39.7985 23.1801 -8.54585 TIMING: 4353600 CPU: 12933, 0.00290819/step Wall: 12933, 0.00290819/step, 0.522182 hours remaining, 210.601562 MB of memory in use. ENERGY: 4353600 741.0261 2082.0211 1948.4683 111.4155 -205686.0230 17802.0922 0.0000 0.0000 34570.1365 -148430.8633 301.9096 -183000.9998 -148338.9209 301.0544 40.7965 73.3709 558802.5665 -4.8168 -4.7190 PRESSURE: 4353800 -63.9132 118.155 -33.8401 118.154 -215.603 111.241 -33.841 111.24 35.276 GPRESSURE: 4353800 -58.1465 68.0995 -20.0084 93.5734 -122.734 146.846 -27.4233 138.14 34.4062 PRESSAVG: 4353800 5.21655 63.7332 -19.4104 63.7332 22.9039 35.7038 -19.4104 35.7038 -17.9775 GPRESSAVG: 4353800 4.38885 62.7886 -19.1549 64.356 22.9107 35.1374 -16.2298 38.2594 -17.3113 TIMING: 4353800 CPU: 12933.6, 0.00292319/step Wall: 12933.6, 0.00292319/step, 0.524713 hours remaining, 210.601562 MB of memory in use. ENERGY: 4353800 764.1315 2128.6927 1924.5923 113.9862 -205692.0976 17702.1458 0.0000 0.0000 34418.2142 -148640.3348 300.5828 -183058.5490 -148541.7287 300.9081 -81.4133 -48.8246 558499.8816 3.3810 3.3294 PRESSURE: 4354000 -85.1169 169.593 43.4453 169.593 233.572 -44.2152 43.4454 -44.2158 91.0043 GPRESSURE: 4354000 -37.4214 150.837 61.6717 126.893 246.016 -33.4562 84.7079 -1.79854 129.5 PRESSAVG: 4354000 -36.302 61.7719 1.8101 61.772 40.6634 -0.618694 1.81009 -0.61875 26.6482 GPRESSAVG: 4354000 -35.3853 63.2643 2.23499 60.5738 39.4497 0.392831 1.18153 -2.07972 27.0823 TIMING: 4354000 CPU: 12934.2, 0.00295727/step Wall: 12934.2, 0.00295727/step, 0.530666 hours remaining, 210.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4354000 764.6260 2097.8582 1916.6256 134.1331 -206215.4654 18085.7947 0.0000 0.0000 34437.5818 -148778.8459 300.7520 -183216.4277 -148681.3787 300.4191 79.8197 112.6980 558807.6362 10.3366 10.3822 PRESSURE: 4354200 -12.5933 -4.30712 143.939 -4.30742 197.274 139.91 143.94 139.911 -66.3733 GPRESSURE: 4354200 -76.9408 5.91569 121.011 83.7038 262.565 105.107 153.257 221.426 27.3547 PRESSAVG: 4354200 -76.1292 93.0148 3.525 93.0148 70.7649 6.59539 3.52501 6.59531 -61.3305 GPRESSAVG: 4354200 -75.8327 90.5481 2.51226 94.2161 71.1698 7.78786 3.15244 6.45128 -62.555 TIMING: 4354200 CPU: 12934.8, 0.00295561/step Wall: 12934.8, 0.00295561/step, 0.530203 hours remaining, 210.601562 MB of memory in use. ENERGY: 4354200 732.2847 2060.3452 1914.2780 104.2062 -205968.4841 17845.4733 0.0000 0.0000 34267.0383 -149044.8583 299.2626 -183311.8966 -148944.4436 300.5483 39.4360 70.9928 557663.1347 -22.2316 -22.4059 PRESSURE: 4354400 -128.554 -9.05915 -21.4273 -9.06066 -11.021 221.917 -21.4283 221.915 -171.845 GPRESSURE: 4354400 -154.809 -77.6704 22.754 1.82835 25.1147 190.725 -93.4195 220.687 -82.446 PRESSAVG: 4354400 -11.9425 28.444 -20.442 28.444 74.1651 35.0591 -20.4421 35.059 -43.0622 GPRESSAVG: 4354400 -12.7758 31.0334 -18.2908 28.2901 73.2767 31.8187 -21.0137 37.7203 -41.4685 TIMING: 4354400 CPU: 12935.4, 0.00293353/step Wall: 12935.4, 0.00293353/step, 0.52608 hours remaining, 210.601562 MB of memory in use. ENERGY: 4354400 791.6661 2050.2119 1921.6303 114.1268 -206148.8608 17748.3608 0.0000 0.0000 34308.5915 -149214.2733 299.6255 -183522.8649 -149114.0838 299.4516 -103.8069 -70.7135 556793.2967 6.3868 6.3441 PRESSURE: 4354600 -91.1527 64.1007 102.177 64.0996 -131.409 16.1054 102.177 16.1048 131.38 GPRESSURE: 4354600 -30.2156 -26.8141 102.246 53.0062 -127.189 17.0923 52.5951 -39.0056 173.464 PRESSAVG: 4354600 53.9833 72.6355 -51.7586 72.6355 -11.7667 47.9763 -51.7586 47.9762 16.9218 GPRESSAVG: 4354600 53.9061 71.1558 -53.5422 71.9216 -10.409 49.897 -50.1146 44.9669 16.0762 TIMING: 4354600 CPU: 12936, 0.00296909/step Wall: 12936, 0.00296909/step, 0.532291 hours remaining, 210.601562 MB of memory in use. ENERGY: 4354600 753.0203 2087.4812 1912.2349 122.8591 -206194.5296 17822.8149 0.0000 0.0000 34195.1544 -149300.9649 298.6348 -183496.1193 -149204.0859 299.0497 -30.3939 5.3534 558273.0901 19.7128 19.8578 PRESSURE: 4354800 30.9275 110.362 -24.2271 110.362 -82.2665 -8.21592 -24.2301 -8.21727 -129.368 GPRESSURE: 4354800 18.9007 99.5764 -5.53234 144.062 -56.8802 19.1755 -39.5674 -23.7709 -39.3991 PRESSAVG: 4354800 51.3755 40.7305 -47.3266 40.7305 -18.564 18.6847 -47.3267 18.6846 -64.788 GPRESSAVG: 4354800 52.8835 39.7824 -46.7291 41.909 -20.6544 17.2573 -48.4747 21.3983 -63.9396 TIMING: 4354800 CPU: 12936.6, 0.00294733/step Wall: 12936.6, 0.00294733/step, 0.528227 hours remaining, 210.601562 MB of memory in use. ENERGY: 4354800 758.7297 2174.2724 1909.9315 114.7205 -206300.9032 17883.8110 0.0000 0.0000 34286.3711 -149173.0670 299.4314 -183459.4381 -149082.3173 299.0726 -60.2355 -25.7929 558119.2929 -10.6588 -10.5701 PRESSURE: 4355000 -71.8359 -68.5935 -15.9035 -68.5942 158.162 92.6253 -15.9036 92.6268 -112.285 GPRESSURE: 4355000 -29.4771 -27.8048 -24.7709 45.3908 192.839 77.6266 5.67484 58.6778 -82.8359 PRESSAVG: 4355000 12.385 16.8061 41.4365 16.806 14.7963 51.079 41.4365 51.0789 -5.4295 GPRESSAVG: 4355000 11.5212 16.802 40.6414 17.1423 14.6937 52.5091 42.9188 48.1886 -4.31524 TIMING: 4355000 CPU: 12937.1, 0.00294693/step Wall: 12937.1, 0.00294693/step, 0.527992 hours remaining, 210.601562 MB of memory in use. ENERGY: 4355000 771.3606 2089.6340 1937.7154 119.6824 -206335.2808 17871.9994 0.0000 0.0000 34477.3892 -149067.4998 301.0996 -183544.8891 -148953.2416 300.2159 -8.6531 26.8419 557116.7971 7.2506 7.2999 PRESSURE: 4355200 89.5101 177.61 -119.198 177.609 298.91 112.787 -119.199 112.787 227.436 GPRESSURE: 4355200 138.877 126.66 -79.8082 96.4024 331.044 83.4157 -114.194 90.4135 246.106 PRESSAVG: 4355200 -22.2522 30.9344 12.2317 30.9344 52.9601 34.5664 12.2317 34.5665 -9.73735 GPRESSAVG: 4355200 -22.3399 31.8705 13.8136 30.8085 54.6073 31.2396 10.676 36.6496 -10.9896 TIMING: 4355200 CPU: 12937.7, 0.00292928/step Wall: 12937.7, 0.00292928/step, 0.524667 hours remaining, 210.601562 MB of memory in use. ENERGY: 4355200 778.2971 2019.1952 1959.6639 111.1193 -205788.2815 17824.7102 0.0000 0.0000 33988.7879 -149106.5078 296.8325 -183095.2957 -149018.1431 299.8517 205.2853 238.6758 557105.5673 6.9902 7.0926 PRESSURE: 4355400 -205.175 -46.5208 85.632 -46.5207 -268.142 27.0973 85.6317 27.0957 -22.7405 GPRESSURE: 4355400 -222.799 -46.2237 19.6762 24.9759 -167.253 65.1214 112.418 28.0882 -9.19835 PRESSAVG: 4355400 -30.3868 51.2307 20.9371 51.2305 -10.7882 9.23625 20.937 9.23621 4.86517 GPRESSAVG: 4355400 -30.2317 49.5557 20.1055 51.3834 -10.6053 11.8495 18.1531 9.19812 4.13645 TIMING: 4355400 CPU: 12938.3, 0.00292168/step Wall: 12938.3, 0.00292168/step, 0.523143 hours remaining, 210.601562 MB of memory in use. ENERGY: 4355400 781.6777 2089.7686 1909.4535 110.2865 -206153.3611 17817.5209 0.0000 0.0000 34274.8273 -149169.8266 299.3306 -183444.6539 -149069.1948 299.1397 -165.3523 -133.0834 558305.5214 -12.1033 -12.2335 PRESSURE: 4355600 83.3643 -20.2601 -77.228 -20.2611 -102.792 -22.0158 -77.2277 -22.0149 -64.8019 GPRESSURE: 4355600 68.705 -43.2484 -53.1674 5.16421 -47.624 107.542 -154.762 -6.01606 -13.2149 PRESSAVG: 4355600 -4.29263 15.5944 -14.8434 15.5943 -38.0976 5.81928 -14.8435 5.81932 29.5355 GPRESSAVG: 4355600 -4.0853 16.9125 -13.3959 15.1211 -37.1229 6.18825 -15.2122 5.87887 28.5216 TIMING: 4355600 CPU: 12938.9, 0.00292412/step Wall: 12938.9, 0.00292412/step, 0.523418 hours remaining, 210.601562 MB of memory in use. ENERGY: 4355600 749.6560 2076.3187 1922.5754 116.7177 -205898.2804 17710.1655 0.0000 0.0000 34284.2805 -149038.5666 299.4131 -183322.8471 -148945.9536 299.7184 -28.0764 2.6220 556834.3620 -4.2849 -4.2289 PRESSURE: 4355800 -208.584 -24.9252 21.0573 -24.9245 -45.303 82.6983 21.0559 82.6986 -25.4985 GPRESSURE: 4355800 -149.71 -19.8574 82.901 -7.30634 -23.5647 108.962 -5.24132 80.1415 4.96822 PRESSAVG: 4355800 2.5657 24.3762 -42.6543 24.3761 18.3961 -13.1815 -42.6543 -13.1815 -12.1061 GPRESSAVG: 4355800 3.13522 25.3669 -42.0973 24.7911 16.2284 -13.341 -41.9572 -15.3242 -10.4979 TIMING: 4355800 CPU: 12939.5, 0.00294401/step Wall: 12939.5, 0.00294401/step, 0.526814 hours remaining, 210.601562 MB of memory in use. ENERGY: 4355800 750.5608 2075.3244 1939.2045 114.3751 -205978.3700 17687.3159 0.0000 0.0000 34141.5737 -149270.0156 298.1669 -183411.5893 -149168.9260 299.5636 -93.1283 -56.1022 558026.2348 2.9519 2.9552 PRESSURE: 4356000 -132.817 16.5772 -31.3486 16.576 -184.212 60.383 -31.3483 60.3831 -178.208 GPRESSURE: 4356000 -76.1979 -0.460199 -39.7969 -29.974 -114.664 123.745 -17.2273 -32.882 -209.68 PRESSAVG: 4356000 29.0688 9.82193 -38.16 9.82192 20.3573 46.3983 -38.1601 46.3983 6.50009 GPRESSAVG: 4356000 29.2767 8.9131 -41.0939 10.3994 21.7784 45.5866 -36.2159 48.4822 5.09761 TIMING: 4356000 CPU: 12940.1, 0.00297758/step Wall: 12940.1, 0.00297757/step, 0.532655 hours remaining, 210.601562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4356000 781.1629 2085.4256 1919.8430 129.9205 -205740.0444 17664.6511 0.0000 0.0000 34136.6241 -149022.4172 298.1236 -183159.0413 -148932.3979 299.9510 -165.0789 -133.5140 559504.0954 18.6421 18.7176 PRESSURE: 4356200 -352.636 -33.0687 -3.8661 -33.0682 -54.0998 34.3935 -3.86646 34.3923 -257.835 GPRESSURE: 4356200 -376.455 -2.3609 73.8209 -89.2127 -3.53257 80.9102 8.79444 11.6481 -193.349 PRESSAVG: 4356200 13.5199 61.0854 -61.1369 61.0854 13.1261 14.5398 -61.137 14.5398 -3.64353 GPRESSAVG: 4356200 12.0428 60.9778 -58.5557 60.2034 12.2422 17.9157 -60.4447 11.0721 -1.7794 TIMING: 4356200 CPU: 12940.7, 0.00298728/step Wall: 12940.7, 0.00298728/step, 0.534225 hours remaining, 210.601562 MB of memory in use. ENERGY: 4356200 760.1114 2147.0109 1973.8572 126.6388 -205709.4983 17512.9489 0.0000 0.0000 34052.1014 -149136.8299 297.3855 -183188.9313 -149044.5701 300.0988 -221.5235 -191.1122 558837.5727 7.6675 7.5019 LDB: ============= START OF LOAD BALANCING ============== 12944.2 LDB: ============== END OF LOAD BALANCING =============== 12944.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12944.2 LDB: ============= START OF LOAD BALANCING ============== 12944.5 LDB: Largest compute 4802 load 0.022479 is 19.0% of average load 0.118223 LDB: Average compute 0.001745 is 1.5% of average load 0.118223 LDB: TIME 12944.5 LOAD: AVG 0.118223 MAX 0.198036 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.578 MB LDB: TIME 12944.5 LOAD: AVG 0.118223 MAX 0.198036 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.625 MB LDB: TIME 12944.5 LOAD: AVG 0.118223 MAX 0.198036 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.625 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12944.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12944.5 PRESSURE: 4356400 190.437 52.0188 67.0363 52.0195 -128.562 106.361 67.0369 106.362 -83.7039 GPRESSURE: 4356400 244.217 163.468 52.2823 -7.7844 -77.4675 81.5755 135.607 -17.8669 -93.5461 PRESSAVG: 4356400 2.62153 50.7096 37.1707 50.7096 -22.0338 11.925 37.1705 11.9249 32.4874 GPRESSAVG: 4356400 2.61366 50.9739 35.3049 49.7917 -21.766 9.4732 37.1294 13.4467 32.1286 TIMING: 4356400 CPU: 12941.3, 0.0030213/step Wall: 12941.3, 0.0030213/step, 0.540141 hours remaining, 209.285156 MB of memory in use. ENERGY: 4356400 709.1804 2086.7935 1936.2301 114.9895 -206343.0821 17948.5980 0.0000 0.0000 34320.1060 -149227.1846 299.7260 -183547.2906 -149140.3450 299.0426 -7.2765 24.4013 558713.2991 4.3584 4.3254 PRESSURE: 4356600 -122.471 -149.929 140.676 -149.93 -37.8379 43.5995 140.675 43.5998 -36.7949 GPRESSURE: 4356600 -116.661 -137.47 104.117 -135.381 -27.6945 42.366 190.989 63.5664 37.6157 PRESSAVG: 4356600 -30.1661 -9.69498 11.4915 -9.69495 -47.0909 7.22991 11.4916 7.22991 35.3432 GPRESSAVG: 4356600 -29.0657 -10.8754 13.4467 -9.05646 -46.8029 6.29776 9.29004 7.04818 33.6962 TIMING: 4356600 CPU: 12941.9, 0.00294598/step Wall: 12941.9, 0.00294598/step, 0.526512 hours remaining, 209.488281 MB of memory in use. ENERGY: 4356600 739.5638 2074.6197 1910.1296 117.4181 -206033.7103 17797.9692 0.0000 0.0000 34155.9545 -149238.0554 298.2924 -183394.0099 -149138.7764 298.6935 -65.7014 -35.5798 560782.1583 -13.9712 -14.0575 PRESSURE: 4356800 -156.561 -58.597 39.6415 -58.5976 133.052 -36.9835 39.6409 -36.9825 -261.632 GPRESSURE: 4356800 -126.299 6.5443 0.480765 -78.1696 118.909 -24.1568 35.3068 -131.517 -174.284 PRESSAVG: 4356800 -36.1133 -0.267815 -10.3424 -0.26783 12.7344 -21.241 -10.3423 -21.2409 15.0142 GPRESSAVG: 4356800 -34.2274 -0.747238 -10.1268 1.80929 11.4983 -19.1442 -9.51953 -20.8949 14.9795 TIMING: 4356800 CPU: 12942.5, 0.00293914/step Wall: 12942.5, 0.00293914/step, 0.525127 hours remaining, 209.488281 MB of memory in use. ENERGY: 4356800 759.8572 2042.0276 1952.0264 106.7982 -206038.2554 17576.2619 0.0000 0.0000 34325.3516 -149275.9326 299.7718 -183601.2842 -149173.3694 299.6146 -95.0469 -60.5581 558217.1268 -2.7882 -2.5832 PRESSURE: 4357000 277.517 3.37878 -26.93 3.37847 81.9018 99.9633 -26.9312 99.9622 510.966 GPRESSURE: 4357000 319.628 -14.0455 22.1408 80.2785 79.7086 137.99 9.23648 93.2275 550.256 PRESSAVG: 4357000 25.3065 -12.1285 46.1744 -12.1285 30.3921 -22.4738 46.1744 -22.4737 -27.3197 GPRESSAVG: 4357000 23.4821 -11.1407 46.8225 -13.5413 31.8107 -23.5384 46.6772 -22.2841 -27.2301 TIMING: 4357000 CPU: 12943, 0.00292271/step Wall: 12943, 0.00292271/step, 0.522029 hours remaining, 209.488281 MB of memory in use. ENERGY: 4357000 715.5825 2085.1715 1939.5565 116.5620 -206889.0664 18485.4759 0.0000 0.0000 34281.9557 -149264.7623 299.3928 -183546.7180 -149172.5444 298.8042 290.1282 316.5309 557754.7507 9.4597 9.3543 PRESSURE: 4357200 -129.379 -47.9301 22.2159 -47.9292 104.847 98.5775 22.2163 98.5786 9.17859 GPRESSURE: 4357200 -131.966 -80.4365 7.13346 -44.3955 149.785 142.155 96.1492 42.5322 60.4842 PRESSAVG: 4357200 -1.05991 -13.5673 -64.4513 -13.5672 10.351 30.9655 -64.4513 30.9655 2.29191 GPRESSAVG: 4357200 -1.49676 -13.1782 -66.2459 -13.1075 9.85478 29.9509 -63.3299 31.1133 2.66013 TIMING: 4357200 CPU: 12943.6, 0.00293541/step Wall: 12943.6, 0.00293541/step, 0.524133 hours remaining, 209.488281 MB of memory in use. ENERGY: 4357200 724.0970 2046.9782 1936.3701 121.9658 -206409.0834 18009.7004 0.0000 0.0000 34355.6163 -149214.3556 300.0361 -183569.9719 -149114.7027 299.0232 -5.1179 26.1012 559055.5211 3.8610 3.6727 PRESSURE: 4357400 -74.512 -100.16 131.111 -100.16 -307.712 73.2386 131.112 73.2382 -54.6178 GPRESSURE: 4357400 -34.2856 -160.684 139.435 -121.985 -267.961 80.8617 138.078 55.4146 -29.6618 PRESSAVG: 4357400 6.08702 -34.4429 -82.9703 -34.4428 -3.01283 65.7761 -82.9703 65.7761 -38.5477 GPRESSAVG: 4357400 7.18282 -33.9706 -80.9717 -36.3326 -2.54715 66.5931 -84.8082 65.5448 -40.2754 TIMING: 4357400 CPU: 12944.2, 0.00295385/step Wall: 12944.2, 0.00295385/step, 0.527263 hours remaining, 209.488281 MB of memory in use. ENERGY: 4357400 773.4485 2071.3997 1929.3926 118.8532 -205797.3091 17564.2847 0.0000 0.0000 34142.1697 -149197.7607 298.1721 -183339.9304 -149103.8270 299.0487 -145.6138 -110.6362 559216.5714 -11.8245 -11.8799 PRESSURE: 4357600 -71.5789 48.7217 -56.3137 48.7224 -33.3873 142.257 -56.3135 142.257 42.3396 GPRESSURE: 4357600 -28.9171 123.525 -100.265 39.0551 -1.52028 175.337 -3.08611 94.2309 71.0545 PRESSAVG: 4357600 -17.0702 -56.3223 -32.9326 -56.3223 -34.6951 47.9427 -32.9325 47.9427 7.26851 GPRESSAVG: 4357600 -18.4508 -58.1713 -36.8762 -56.1571 -34.9839 47.3212 -30.2123 48.0825 9.47499 TIMING: 4357600 CPU: 12944.8, 0.00293251/step Wall: 12944.8, 0.00293251/step, 0.52329 hours remaining, 209.488281 MB of memory in use. ENERGY: 4357600 759.4207 2051.8529 1925.9010 120.3094 -206146.5892 17840.6855 0.0000 0.0000 34314.5955 -149133.8243 299.6779 -183448.4198 -149045.8222 298.9051 -20.8755 13.5391 559004.2030 -14.8323 -14.6533 PRESSURE: 4357800 112.905 177.875 68.3706 177.876 -21.1435 -111.208 68.3711 -111.208 103.37 GPRESSURE: 4357800 162.556 184.236 68.9675 159.902 10.6779 -189.665 97.4813 -88.5276 131.51 PRESSAVG: 4357800 21.3445 20.372 20.5107 20.3721 -50.8555 1.94379 20.5107 1.94366 29.3305 GPRESSAVG: 4357800 22.8152 22.5236 21.1114 20.0821 -51.3035 2.84606 19.3093 3.25268 28.5984 TIMING: 4357800 CPU: 12945.4, 0.00295277/step Wall: 12945.4, 0.00295277/step, 0.526741 hours remaining, 209.488281 MB of memory in use. ENERGY: 4357800 690.8279 2114.7851 1938.7261 120.1423 -206342.1031 17935.8199 0.0000 0.0000 34386.7748 -149155.0268 300.3083 -183541.8016 -149057.4145 300.0173 65.0439 101.5812 557817.5359 -0.0602 0.0367 PRESSURE: 4358000 -274.026 -47.1429 -6.8925 -47.1431 -6.08575 -74.4971 -6.89241 -74.496 -132.113 GPRESSURE: 4358000 -278.269 -41.2923 14.4366 12.3216 42.655 -106.971 -71.2235 -113.21 -85.2234 PRESSAVG: 4358000 15.3756 43.5968 -12.2739 43.5968 -23.3695 37.9079 -12.2738 37.9079 -1.7924 GPRESSAVG: 4358000 16.0642 42.3077 -10.0928 45.8947 -23.199 38.431 -13.2346 36.8793 -2.17376 TIMING: 4358000 CPU: 12946, 0.00295693/step Wall: 12946, 0.00295693/step, 0.52732 hours remaining, 209.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4358000 734.5831 2102.3560 1936.4336 116.0846 -206029.5217 17736.3868 0.0000 0.0000 34269.3504 -149134.3272 299.2828 -183403.6777 -149041.4468 300.0859 -137.4085 -106.9459 559461.1593 -3.2621 -3.1028 PRESSURE: 4358200 -148.659 -241.412 -106.088 -241.412 14.3306 213.743 -106.088 213.743 55.3464 GPRESSURE: 4358200 -119.869 -286.158 33.0115 -239.809 40.5172 277.634 -186.033 141.3 99.3679 PRESSAVG: 4358200 -45.671 60.8303 25.8513 60.8302 15.9353 25.9253 25.8513 25.9253 25.0068 GPRESSAVG: 4358200 -46.3409 60.8232 24.0818 59.7271 16.1209 25.7797 26.0257 27.9289 26.0123 TIMING: 4358200 CPU: 12946.6, 0.00297377/step Wall: 12946.6, 0.00297377/step, 0.530158 hours remaining, 209.488281 MB of memory in use. ENERGY: 4358200 748.7099 2056.5863 1948.6040 118.5163 -206113.8964 17755.8028 0.0000 0.0000 34362.2706 -149123.4065 300.0943 -183485.6771 -149023.8617 299.4236 -26.3272 6.6722 557507.3084 -1.5763 -1.4026 PRESSURE: 4358400 -249.74 99.8999 65.2055 99.9011 109.037 -111.544 65.205 -111.544 -264.139 GPRESSURE: 4358400 -107.829 115.397 84.0747 26.883 63.5798 -85.424 44.7778 -123.764 -259.066 PRESSAVG: 4358400 -60.5452 -19.0022 4.35549 -19.0022 6.71801 -50.9759 4.35547 -50.9758 21.9066 GPRESSAVG: 4358400 -60.6653 -20.8837 6.06084 -19.0866 6.76623 -50.6966 5.51855 -52.1074 22.1008 TIMING: 4358400 CPU: 12947.2, 0.00294794/step Wall: 12947.2, 0.00294794/step, 0.525388 hours remaining, 209.488281 MB of memory in use. ENERGY: 4358400 709.8182 2087.8764 1926.2020 124.5068 -205847.3423 17420.8179 0.0000 0.0000 34445.1757 -149132.9453 300.8183 -183578.1210 -149037.5322 299.8367 -134.9470 -101.1051 558376.1947 -10.6402 -10.5994 PRESSURE: 4358600 16.4409 -63.8869 -167.458 -63.8864 -248.291 74.787 -167.458 74.7891 -271.849 GPRESSURE: 4358600 7.81327 -36.5996 -141.971 21.9798 -178.034 87.3637 -134.664 31.0804 -237.26 PRESSAVG: 4358600 11.4559 -18.1861 -11.8166 -18.1859 17.5852 -15.6963 -11.8167 -15.6963 -12.3443 GPRESSAVG: 4358600 10.3357 -17.0677 -12.7693 -17.4698 18.4401 -17.3856 -11.4725 -13.8966 -12.1268 TIMING: 4358600 CPU: 12947.8, 0.00293499/step Wall: 12947.8, 0.00293499/step, 0.522918 hours remaining, 209.488281 MB of memory in use. ENERGY: 4358600 732.6780 2076.2779 1924.4283 107.6266 -206187.6198 17529.7627 0.0000 0.0000 34499.7254 -149317.1209 301.2947 -183816.8463 -149217.8197 300.1608 -167.8997 -135.8271 557264.8626 5.5656 5.5497 PRESSURE: 4358800 74.5559 59.9481 -47.935 59.9489 -123.711 -8.0713 -47.9366 -8.07201 -173.967 GPRESSURE: 4358800 118.946 109.689 -108.132 22.6894 -65.9372 -21.6493 31.2375 20.8669 -182.137 PRESSAVG: 4358800 86.5385 60.4878 -33.2238 60.4878 -41.5424 15.4395 -33.2237 15.4395 -54.9783 GPRESSAVG: 4358800 87.3973 61.321 -34.0041 59.7862 -42.649 15.787 -33.3015 13.9612 -55.586 TIMING: 4358800 CPU: 12948.4, 0.00294193/step Wall: 12948.4, 0.00294193/step, 0.523991 hours remaining, 209.488281 MB of memory in use. ENERGY: 4358800 736.1607 2091.3166 1916.6001 109.9553 -206834.9781 17995.1382 0.0000 0.0000 34347.8691 -149637.9380 299.9685 -183985.8071 -149536.0286 298.9776 -74.3743 -43.0425 557577.0756 -3.3274 -3.6126 PRESSURE: 4359000 -16.1276 34.5202 -75.0162 34.5209 -39.5394 104.975 -75.016 104.974 28.045 GPRESSURE: 4359000 74.0877 97.432 -73.5031 -30.7106 -40.2896 74.9214 -113.592 31.0283 43.2012 PRESSAVG: 4359000 29.0732 48.4771 -32.9255 48.4771 -2.98494 74.3459 -32.9255 74.3458 -36.9319 GPRESSAVG: 4359000 28.2288 48.0671 -33.8936 48.4631 -2.54165 75.21 -33.9937 74.7394 -37.4378 TIMING: 4359000 CPU: 12948.9, 0.0029281/step Wall: 12948.9, 0.0029281/step, 0.521365 hours remaining, 209.488281 MB of memory in use. ENERGY: 4359000 768.9526 2069.2320 1922.0407 130.5686 -206517.3657 17879.4849 0.0000 0.0000 34251.8276 -149495.2593 299.1297 -183747.0869 -149394.5015 298.0689 -9.2073 25.6665 557208.1180 -3.6145 -3.9169 PRESSURE: 4359200 108.956 50.9835 242.009 50.9836 -76.2467 -144.964 242.009 -144.963 -77.3687 GPRESSURE: 4359200 68.5031 -40.1336 258.461 42.3978 -13.4235 -101.402 242.451 -213.198 -12.5552 PRESSAVG: 4359200 44.3874 16.3272 20.9221 16.3271 -36.4536 -21.2386 20.9222 -21.2386 27.5344 GPRESSAVG: 4359200 44.7884 15.1247 23.1166 18.8037 -37.074 -21.9051 22.26 -21.6736 28.0299 TIMING: 4359200 CPU: 12949.5, 0.00292716/step Wall: 12949.5, 0.00292716/step, 0.521034 hours remaining, 209.488281 MB of memory in use. ENERGY: 4359200 761.4717 2021.1522 1932.0996 113.6617 -206340.5908 17756.7043 0.0000 0.0000 34374.4005 -149381.1009 300.2002 -183755.5013 -149283.8139 298.6455 -14.8865 14.1748 556937.3124 11.8227 11.9147 PRESSURE: 4359400 85.5834 7.10645 -123.005 7.10846 148.255 91.3387 -123.004 91.3376 139.382 GPRESSURE: 4359400 164.154 35.153 -208.256 123.894 134.041 14.1808 -162.405 185.795 182.769 PRESSAVG: 4359400 42.5488 -3.56324 20.4991 -3.56326 -19.7526 -23.6382 20.4992 -23.6383 -22.2527 GPRESSAVG: 4359400 42.0307 -1.18947 21.197 -5.12715 -18.8228 -24.2506 20.4356 -22.2258 -22.6452 TIMING: 4359400 CPU: 12950.1, 0.0029365/step Wall: 12950.1, 0.0029365/step, 0.522533 hours remaining, 209.488281 MB of memory in use. ENERGY: 4359400 770.2331 2018.3834 1931.3883 124.2530 -206590.0250 18076.8743 0.0000 0.0000 34121.2094 -149547.6835 297.9890 -183668.8929 -149451.5376 298.4517 124.4068 160.3212 555484.1529 0.1812 0.1876 PRESSURE: 4359600 -239.579 186.669 60.5195 186.667 145.257 69.9695 60.5208 69.9689 -182.448 GPRESSURE: 4359600 -220.765 175.522 7.17607 167.74 175.216 21.3407 40.7856 98.6135 -127.278 PRESSAVG: 4359600 39.7108 0.243388 18.8141 0.243324 -2.25128 63.3482 18.8141 63.3482 -31.9156 GPRESSAVG: 4359600 39.0106 -0.607813 19.7376 -0.642673 -2.47888 62.5651 16.5578 62.2928 -31.0357 TIMING: 4359600 CPU: 12950.7, 0.00294627/step Wall: 12950.7, 0.00294627/step, 0.524109 hours remaining, 209.488281 MB of memory in use. ENERGY: 4359600 746.5943 2075.1799 1932.6792 115.9150 -206265.9690 17730.9977 0.0000 0.0000 34072.1627 -149592.4401 297.5607 -183664.6028 -149497.9391 298.0576 -92.2566 -57.6091 556805.0287 1.8480 1.8320 PRESSURE: 4359800 -100.673 76.9779 -245.387 76.9766 8.26519 212.35 -245.385 212.35 -48.7804 GPRESSURE: 4359800 -46.1934 118.938 -138.769 48.5998 26.0506 207.52 -207.737 232.173 -27.5489 PRESSAVG: 4359800 -11.6496 49.5986 -38.1066 49.5986 55.9848 9.46244 -38.1066 9.46242 -59.7993 GPRESSAVG: 4359800 -12.7652 49.5517 -40.1668 49.1453 56.509 10.2631 -37.3501 10.6447 -59.3673 TIMING: 4359800 CPU: 12951.3, 0.0029432/step Wall: 12951.3, 0.0029432/step, 0.5234 hours remaining, 209.488281 MB of memory in use. ENERGY: 4359800 765.2138 2116.4794 1940.6549 114.8395 -206358.8411 17810.1750 0.0000 0.0000 34123.2549 -149488.2237 298.0069 -183611.4785 -149387.2665 298.5579 -47.0627 -15.8972 557131.7374 -5.1547 -5.2078 PRESSURE: 4360000 218.268 -213.739 68.4154 -213.738 -24.7133 -118.645 68.4161 -118.645 -162.298 GPRESSURE: 4360000 269.463 -200.823 136.505 -201.542 -2.95118 -86.2377 43.8943 -100.411 -135.667 PRESSAVG: 4360000 -1.37847 -69.3377 0.62633 -69.3377 52.808 -3.05467 0.62638 -3.05447 -55.0117 GPRESSAVG: 4360000 -0.669532 -68.7451 0.0256393 -70.35 53.7919 -0.870418 2.05322 -4.36175 -57.3943 TIMING: 4360000 CPU: 12951.9, 0.00294681/step Wall: 12951.9, 0.00294681/step, 0.523877 hours remaining, 209.488281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4360000 741.7069 2049.5601 1915.4970 110.9506 -206385.2912 17839.5875 0.0000 0.0000 34211.8949 -149516.0942 298.7810 -183727.9891 -149408.3418 298.7791 10.4189 43.6148 556155.6692 -1.1940 -1.4240 PRESSURE: 4360200 108.741 118.257 -94.7776 118.258 -357.439 -139.787 -94.7781 -139.788 -98.5548 GPRESSURE: 4360200 139.558 122.225 -129.693 108.475 -356.975 -75.5817 -65.2884 -151.371 -24.0385 PRESSAVG: 4360200 -11.6357 -41.5153 35.6585 -41.5153 -42.5007 4.40012 35.6585 4.40007 16.9196 GPRESSAVG: 4360200 -11.5543 -40.4097 36.7873 -40.7921 -43.2032 3.78473 34.5287 4.98134 17.7816 TIMING: 4360200 CPU: 12952.5, 0.0029852/step Wall: 12952.5, 0.0029852/step, 0.530537 hours remaining, 209.488281 MB of memory in use. ENERGY: 4360200 731.5743 2157.1426 1930.4833 107.8645 -205972.3697 17575.2880 0.0000 0.0000 33982.1098 -149487.9072 296.7742 -183470.0170 -149395.8364 297.5406 -115.7509 -80.4853 557215.6168 -12.4056 -12.3253 LDB: ============= START OF LOAD BALANCING ============== 12956 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12956 LDB: =============== DONE WITH MIGRATION ================ 12956 LDB: ============= START OF LOAD BALANCING ============== 12956.3 LDB: Largest compute 4796 load 0.022033 is 18.7% of average load 0.118136 LDB: Average compute 0.001741 is 1.5% of average load 0.118136 LDB: TIME 12956.3 LOAD: AVG 0.118136 MAX 0.193328 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.613 MB LDB: TIME 12956.3 LOAD: AVG 0.118136 MAX 0.193328 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.812 MB LDB: TIME 12956.3 LOAD: AVG 0.118136 MAX 0.193328 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.812 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12956.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12956.3 PRESSURE: 4360400 -5.53959 -40.4347 12.6075 -40.4351 -49.0181 90.5253 12.608 90.5252 196.798 GPRESSURE: 4360400 86.5229 1.03186 23.307 -146.354 -29.175 73.2661 54.3945 79.374 178.869 PRESSAVG: 4360400 17.0732 -0.915081 16.3651 -0.915085 -4.54516 41.8467 16.3651 41.8466 51.7898 GPRESSAVG: 4360400 16.7142 -0.677364 16.2467 -2.1415 -5.38401 41.1813 17.1743 40.843 52.4796 TIMING: 4360400 CPU: 12953.1, 0.0029725/step Wall: 12953.1, 0.0029725/step, 0.528115 hours remaining, 207.839844 MB of memory in use. ENERGY: 4360400 757.0734 2058.1410 1960.6927 117.9463 -206482.6513 17854.7208 0.0000 0.0000 34094.5340 -149639.5431 297.7560 -183734.0771 -149545.0050 297.9455 47.4135 78.7391 555880.5890 21.4393 21.2699 PRESSURE: 4360600 -193.461 -30.7269 -7.71422 -30.7279 -111.73 50.5295 -7.71457 50.5292 -9.35702 GPRESSURE: 4360600 -133.266 -1.5384 -6.75994 -23.4951 -110.956 120.764 -51.6386 13.4901 34.0597 PRESSAVG: 4360600 -2.69987 -19.1529 -5.06353 -19.1528 -40.7097 33.1767 -5.06359 33.1767 35.4086 GPRESSAVG: 4360600 -1.96591 -21.0563 -4.75167 -18.089 -40.6486 33.8922 -6.75731 33.525 34.4247 TIMING: 4360600 CPU: 12953.7, 0.00294482/step Wall: 12953.7, 0.00294482/step, 0.523032 hours remaining, 208.039062 MB of memory in use. ENERGY: 4360600 733.8866 2092.3817 1953.9197 119.7655 -206184.7764 17690.8719 0.0000 0.0000 33997.9440 -149596.0070 296.9125 -183593.9510 -149493.2092 298.0430 -104.8495 -70.0541 557634.0084 -2.6670 -2.7299 PRESSURE: 4360800 450.273 84.7051 -72.3953 84.7059 60.1898 189.241 -72.3958 189.242 -165.245 GPRESSURE: 4360800 525.699 66.1062 34.3144 96.8115 96.1823 276.252 -102.185 214.51 -185.322 PRESSAVG: 4360800 -11.7277 -5.38668 -33.2615 -5.38674 55.9942 53.8966 -33.2613 53.8966 -23.2516 GPRESSAVG: 4360800 -10.3968 -4.82107 -31.6742 -4.43553 54.7132 54.4594 -32.5175 53.2932 -23.3096 TIMING: 4360800 CPU: 12954.3, 0.0029427/step Wall: 12954.3, 0.0029427/step, 0.522493 hours remaining, 208.039062 MB of memory in use. ENERGY: 4360800 739.9864 2074.7297 1943.4244 122.9766 -206583.8408 17956.8876 0.0000 0.0000 34135.7174 -149610.1186 298.1157 -183745.8361 -149519.5547 298.3163 115.0724 145.5195 557897.9888 7.0050 7.0023 PRESSURE: 4361000 110.73 -22.3032 18.9285 -22.3009 -165.582 5.91553 18.9293 5.91537 -407.525 GPRESSURE: 4361000 82.052 0.733421 35.8299 -138.904 -100.439 41.5029 62.2272 36.9311 -345.051 PRESSAVG: 4361000 74.1688 32.5594 -31.9777 32.5595 5.9501 45.4548 -31.9778 45.4547 -93.7981 GPRESSAVG: 4361000 73.0026 33.3405 -31.3066 31.6704 7.50018 45.0561 -30.1849 45.5161 -93.879 TIMING: 4361000 CPU: 12954.8, 0.0029474/step Wall: 12954.8, 0.0029474/step, 0.523164 hours remaining, 208.039062 MB of memory in use. ENERGY: 4361000 769.0179 2047.1219 1952.0539 115.8595 -206349.6522 17796.1877 0.0000 0.0000 33978.1214 -149691.2900 296.7394 -183669.4113 -149598.7994 297.6419 -154.1255 -121.1461 558960.4068 -4.5597 -4.4587 PRESSURE: 4361200 46.7991 89.0777 -141.177 89.0797 -84.4784 -8.42673 -141.178 -8.4268 1.18118 GPRESSURE: 4361200 39.6253 117.589 -144.94 1.89978 -47.3689 -13.4444 -106.587 32.5056 67.4484 PRESSAVG: 4361200 20.8665 -25.9515 -5.432 -25.9515 16.3744 17.5018 -5.43193 17.5017 -18.2249 GPRESSAVG: 4361200 21.3515 -27.1957 -6.43994 -25.0204 14.925 16.7506 -7.91679 17.2479 -17.8072 TIMING: 4361200 CPU: 12955.4, 0.00292869/step Wall: 12955.4, 0.00292869/step, 0.51968 hours remaining, 208.039062 MB of memory in use. ENERGY: 4361200 744.9707 2106.0352 1933.1667 109.6053 -206530.8805 17903.5548 0.0000 0.0000 34020.0274 -149713.5204 297.1054 -183733.5478 -149607.6774 297.5616 -12.1661 19.9016 558695.2596 6.3387 6.1564 PRESSURE: 4361400 -43.8564 -142.111 59.5185 -142.112 -62.3536 35.9919 59.5203 35.9898 -185.794 GPRESSURE: 4361400 -14.8888 -189.602 78.9385 -88.1624 -57.284 -0.62287 15.5983 55.9556 -128.891 PRESSAVG: 4361400 40.4982 -34.8326 -10.2888 -34.8325 -27.1658 12.8278 -10.2889 12.8277 3.21542 GPRESSAVG: 4361400 39.9806 -35.0609 -7.39914 -36.4242 -26.5798 11.295 -11.2855 15.2388 2.74647 TIMING: 4361400 CPU: 12956, 0.00295131/step Wall: 12956, 0.00295131/step, 0.523529 hours remaining, 208.039062 MB of memory in use. ENERGY: 4361400 746.8919 2139.1513 1910.3685 119.1627 -206210.8191 17736.6640 0.0000 0.0000 33958.4527 -149600.1279 296.5676 -183558.5806 -149515.4381 297.5647 -97.3347 -67.0212 558676.0183 5.5159 5.3824 PRESSURE: 4361600 -35.4834 182.387 -21.7703 182.387 144.228 125.269 -21.7723 125.269 228.225 GPRESSURE: 4361600 8.94265 162.102 1.55035 165.241 169.409 62.8156 -32.8841 138.226 265.326 PRESSAVG: 4361600 58.46 -23.4186 32.9741 -23.4186 -65.0203 -28.5356 32.974 -28.5355 9.86831 GPRESSAVG: 4361600 57.9301 -22.6031 30.216 -21.7415 -64.4752 -25.1336 34.3182 -31.4383 9.92257 TIMING: 4361600 CPU: 12956.6, 0.00294397/step Wall: 12956.6, 0.00294397/step, 0.522064 hours remaining, 208.039062 MB of memory in use. ENERGY: 4361600 740.1961 2091.4807 1944.6259 114.7184 -206637.8741 18135.0465 0.0000 0.0000 34188.0961 -149423.7103 298.5731 -183611.8064 -149325.2647 298.2876 112.3234 147.8926 557266.8007 1.1027 1.1258 PRESSURE: 4361800 21.8562 183.774 -0.748449 183.774 -118.082 -98.7618 -0.748353 -98.7608 60.5362 GPRESSURE: 4361800 62.8801 254.695 2.51335 178.591 -110.5 -114.694 29.8439 -53.558 108.796 PRESSAVG: 4361800 25.9589 55.5366 18.0286 55.5366 -1.18038 20.1671 18.0285 20.1671 -39.0721 GPRESSAVG: 4361800 26.1741 55.3833 17.8559 53.8656 -1.20405 18.0772 19.0635 22.7042 -40.0912 TIMING: 4361800 CPU: 12957.2, 0.00290238/step Wall: 12957.2, 0.00290238/step, 0.514528 hours remaining, 208.039062 MB of memory in use. ENERGY: 4361800 739.3204 2079.6185 1905.1792 102.8481 -206303.4199 17824.4116 0.0000 0.0000 34234.9088 -149417.1334 298.9820 -183652.0421 -149317.7923 298.8790 -11.8964 20.3922 557955.5354 -4.7645 -5.0404 PRESSURE: 4362000 19.7974 -70.2324 33.4199 -70.2318 4.86606 0.0068773 33.4194 0.00635864 99.4573 GPRESSURE: 4362000 111.1 -49.6107 -39.5251 -49.9092 67.1477 -37.419 -13.7031 -26.5821 43.6251 PRESSAVG: 4362000 -46.8147 13.5512 25.7315 13.5512 -35.9474 -29.1655 25.7314 -29.1657 34.4967 GPRESSAVG: 4362000 -46.2846 12.8793 26.1776 16.353 -37.6601 -26.5596 24.9075 -31.8141 35.2589 TIMING: 4362000 CPU: 12957.8, 0.00290916/step Wall: 12957.8, 0.00290917/step, 0.515569 hours remaining, 208.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4362000 788.4114 2146.4144 1932.3328 119.8330 -206556.1057 18000.0198 0.0000 0.0000 34312.9463 -149256.1479 299.6635 -183569.0942 -149159.9864 299.3618 41.3736 73.9576 557701.8361 -16.0885 -16.2286 PRESSURE: 4362200 -53.8672 47.7293 -96.6641 47.7286 127.278 -199.001 -96.6644 -199 116.814 GPRESSURE: 4362200 -13.6728 64.0422 -117.411 -28.2303 177.215 -182.911 -76.251 -200.582 121.719 PRESSAVG: 4362200 38.421 -15.2113 16.8807 -15.2112 -17.0372 -18.6493 16.8807 -18.6493 11.1514 GPRESSAVG: 4362200 38.1129 -14.8976 16.1783 -18.1256 -16.1443 -19.7204 18.3729 -16.8384 10.1011 TIMING: 4362200 CPU: 12958.4, 0.00292578/step Wall: 12958.4, 0.00292578/step, 0.51835 hours remaining, 208.039062 MB of memory in use. ENERGY: 4362200 761.9315 2078.4813 1963.1731 113.2655 -206174.8991 17850.9384 0.0000 0.0000 34365.2627 -149041.8466 300.1204 -183407.1093 -148938.4529 299.8916 63.4082 95.0870 556188.0556 10.8451 10.6899 PRESSURE: 4362400 60.2311 12.8678 120.521 12.8672 -31.4858 -165.764 120.522 -165.763 71.6931 GPRESSURE: 4362400 102.161 15.6647 85.5597 10.3624 15.2356 -112.18 159.144 -141.6 87.4962 PRESSAVG: 4362400 3.57215 -6.22068 45.8734 -6.22064 -0.236801 -0.504952 45.8734 -0.504831 -6.66224 GPRESSAVG: 4362400 2.44192 -5.85584 44.3335 -4.39436 -0.375086 -2.07347 44.4986 0.816098 -5.49182 TIMING: 4362400 CPU: 12958.9, 0.00292851/step Wall: 12958.9, 0.00292851/step, 0.518672 hours remaining, 208.039062 MB of memory in use. ENERGY: 4362400 770.7711 2099.3209 1936.8762 115.8977 -206170.5383 17796.6104 0.0000 0.0000 34338.5133 -149112.5487 299.8868 -183451.0621 -149016.5047 300.0227 33.4795 68.2975 556063.6620 -1.1090 -1.1417 PRESSURE: 4362600 -40.5093 -172.308 -113.848 -172.307 -218.969 -104.356 -113.847 -104.356 -52.0313 GPRESSURE: 4362600 13.6571 -211.157 -130.32 -148.166 -201.823 -102.653 -125.387 -99.9331 -34.8643 PRESSAVG: 4362600 82.2397 -27.3944 37.2024 -27.3944 -77.8251 -2.03402 37.2024 -2.03396 -2.21794 GPRESSAVG: 4362600 82.9741 -28.3445 39.2977 -27.0258 -78.4564 -0.861468 36.3467 -3.45884 -2.42699 TIMING: 4362600 CPU: 12959.5, 0.00291827/step Wall: 12959.5, 0.00291827/step, 0.516696 hours remaining, 208.078125 MB of memory in use. ENERGY: 4362600 768.9677 2125.1804 1952.0214 109.9637 -206229.4472 17935.9658 0.0000 0.0000 34214.5200 -149122.8281 298.8039 -183337.3481 -149029.8753 299.4745 -103.8366 -74.3434 557986.7405 0.7322 0.6969 PRESSURE: 4362800 -84.8858 -98.2753 6.88946 -98.2755 -125.296 18.3978 6.89076 18.3964 -145.045 GPRESSURE: 4362800 -114.561 -20.1084 -67.1497 -74.3515 3.75045 58.7608 73.5966 -38.532 -149.3 PRESSAVG: 4362800 42.6755 3.23593 15.2645 3.23591 -8.02537 29.41 15.2644 29.41 15.5029 GPRESSAVG: 4362800 41.6503 4.37945 14.3494 4.39061 -6.63368 29.8239 16.2333 27.8663 15.4096 TIMING: 4362800 CPU: 12960.1, 0.00295819/step Wall: 12960.1, 0.00295819/step, 0.5236 hours remaining, 208.078125 MB of memory in use. ENERGY: 4362800 801.2715 2094.6350 1952.2680 110.2352 -206469.2443 17860.8006 0.0000 0.0000 34479.3803 -149170.6536 301.1170 -183650.0339 -149068.2508 299.4167 -118.4089 -86.7035 558467.1819 16.7177 16.8087 PRESSURE: 4363000 100.377 -66.1398 -173.836 -66.1389 -217.445 136.588 -173.835 136.589 -63.6011 GPRESSURE: 4363000 115.973 -54.4055 -117.452 -93.4391 -160.109 64.3551 -253.778 127.099 -38.1099 PRESSAVG: 4363000 -29.8672 -54.3959 -45.6118 -54.396 12.9088 -2.20332 -45.6119 -2.20333 -27.898 GPRESSAVG: 4363000 -29.097 -54.5726 -46.455 -54.6457 12.1487 -1.06842 -44.7272 -1.81127 -28.0279 TIMING: 4363000 CPU: 12960.7, 0.00294326/step Wall: 12960.7, 0.00294326/step, 0.520794 hours remaining, 208.078125 MB of memory in use. ENERGY: 4363000 759.1908 2145.1354 1958.6661 121.6495 -206171.8148 17802.2511 0.0000 0.0000 34164.7806 -149220.1412 298.3695 -183384.9218 -149122.5970 299.7488 -60.2232 -27.4155 557357.5234 -14.9521 -14.9921 PRESSURE: 4363200 204.281 21.5694 38.0195 21.5704 -99.0523 -183.517 38.0191 -183.517 389.063 GPRESSURE: 4363200 248.671 28.4163 -1.23992 -34.6604 -17.3708 -221.193 33.0141 -228.87 352.059 PRESSAVG: 4363200 -0.909891 2.37097 -18.2479 2.37098 -2.92596 2.36476 -18.248 2.36487 4.19315 GPRESSAVG: 4363200 -0.33558 3.73179 -17.1433 0.818532 -2.92059 0.412549 -20.2031 4.66827 3.35207 TIMING: 4363200 CPU: 12961.3, 0.00292999/step Wall: 12961.3, 0.00292999/step, 0.518282 hours remaining, 208.078125 MB of memory in use. ENERGY: 4363200 741.9819 2140.1573 1910.5441 112.0663 -206562.6679 18018.7999 0.0000 0.0000 34387.8001 -149251.3183 300.3172 -183639.1184 -149150.2473 300.3406 164.7638 194.4529 554854.9247 0.1191 0.0320 PRESSURE: 4363400 -22.2425 -111.863 39.5737 -111.862 77.7755 -33.518 39.5736 -33.519 -10.8412 GPRESSURE: 4363400 -30.355 -112.495 117.007 -147.426 147.145 -16.3673 45.6374 -103.19 18.5719 PRESSAVG: 4363400 2.33804 -65.3715 -15.7931 -65.3714 23.1116 -40.9598 -15.793 -40.9599 -29.2652 GPRESSAVG: 4363400 2.44337 -66.9243 -15.6669 -65.701 23.1927 -38.5963 -16.3421 -43.4331 -29.4262 TIMING: 4363400 CPU: 12961.9, 0.00294206/step Wall: 12961.9, 0.00294206/step, 0.520255 hours remaining, 208.078125 MB of memory in use. ENERGY: 4363400 790.8492 2154.9775 1932.7312 119.9698 -206315.9387 17775.7975 0.0000 0.0000 34515.7837 -149025.8298 301.4349 -183541.6135 -148923.1764 299.8777 14.8973 45.1205 553984.2845 -1.2719 -1.2634 PRESSURE: 4363600 -217.652 9.39156 -89.3406 9.39326 -121.187 -104.84 -89.3408 -104.842 -145.773 GPRESSURE: 4363600 -182.417 0.915767 -24.1084 86.2588 -95.6605 -90.8132 -156.872 -53.1869 -114.798 PRESSAVG: 4363600 -23.1673 -36.5514 -22.5743 -36.5514 11.334 -14.455 -22.5743 -14.455 41.4722 GPRESSAVG: 4363600 -24.598 -38.4215 -24.317 -34.8922 11.8723 -14.8578 -22.3613 -13.4034 42.3115 TIMING: 4363600 CPU: 12962.5, 0.00293907/step Wall: 12962.5, 0.00293907/step, 0.519562 hours remaining, 208.078125 MB of memory in use. ENERGY: 4363600 777.7332 2112.6237 1964.6418 123.0940 -206020.4467 17488.4160 0.0000 0.0000 34435.3985 -149118.5394 300.7329 -183553.9379 -149011.9019 300.5471 -161.5371 -130.9587 555414.2483 9.8797 9.8619 PRESSURE: 4363800 -259.624 -12.9327 143.654 -12.9336 -255.715 -83.4252 143.653 -83.4254 -57.4564 GPRESSURE: 4363800 -174.886 -52.4087 151.243 58.1653 -253.652 -97.7194 93.8265 -3.41287 -47.3625 PRESSAVG: 4363800 -97.4309 -24.1469 5.32373 -24.1471 53.5408 9.82547 5.32373 9.82547 1.00478 GPRESSAVG: 4363800 -97.029 -22.7009 6.85743 -26.1883 53.5888 10.0957 6.23568 8.93278 0.150509 TIMING: 4363800 CPU: 12963.1, 0.00298677/step Wall: 12963.1, 0.00298677/step, 0.527829 hours remaining, 208.078125 MB of memory in use. ENERGY: 4363800 779.7321 2095.0901 1928.3680 116.1058 -205832.5895 17417.1446 0.0000 0.0000 34271.0036 -149225.1453 299.2972 -183496.1489 -149134.4058 299.6415 -190.9317 -158.6336 557726.1252 -14.2951 -14.4299 PRESSURE: 4364000 -132.844 -28.0373 58.6823 -28.0362 57.075 57.2948 58.6839 57.2961 82.1114 GPRESSURE: 4364000 -89.7433 7.09166 -27.9616 -131.581 78.1434 107.973 8.15736 63.891 112.769 PRESSAVG: 4364000 -78.2889 21.7224 23.1561 21.7225 22.7441 -27.969 23.1561 -27.9689 4.8608 GPRESSAVG: 4364000 -77.8556 22.8365 24.4262 21.4626 21.9553 -29.726 21.5289 -27.7844 4.92488 TIMING: 4364000 CPU: 12963.7, 0.00297785/step Wall: 12963.7, 0.00297785/step, 0.526086 hours remaining, 208.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4364000 727.4827 2105.3632 1951.7766 117.6801 -206375.3527 17824.7290 0.0000 0.0000 34213.9048 -149434.4163 298.7985 -183648.3211 -149339.8062 299.8123 2.1140 33.7230 556414.7001 -16.8947 -16.9918 PRESSURE: 4364200 180.609 -62.3118 -45.3125 -62.3128 128.977 21.8359 -45.3129 21.8342 142.06 GPRESSURE: 4364200 210.557 -82.7614 -38.498 -83.5898 161.937 -3.58503 -56.0254 39.8311 174.426 PRESSAVG: 4364200 -30.7967 45.1544 -28.2957 45.1544 -0.801738 0.111961 -28.2956 0.111996 13.53 GPRESSAVG: 4364200 -32.2918 43.088 -29.547 46.9443 -0.764113 1.92138 -26.9089 0.176558 15.2307 TIMING: 4364200 CPU: 12964.3, 0.0030165/step Wall: 12964.3, 0.0030165/step, 0.532747 hours remaining, 208.078125 MB of memory in use. ENERGY: 4364200 698.4309 2066.8399 1915.9559 108.4325 -206485.1742 17854.3211 0.0000 0.0000 34281.5876 -149559.6062 299.3896 -183841.1938 -149467.0508 298.5694 150.5486 182.3066 556995.6906 -6.0228 -5.9417 LDB: ============= START OF LOAD BALANCING ============== 12967.8 LDB: ============== END OF LOAD BALANCING =============== 12967.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12967.8 LDB: ============= START OF LOAD BALANCING ============== 12968.1 LDB: Largest compute 4801 load 0.021701 is 18.4% of average load 0.118245 LDB: Average compute 0.001729 is 1.5% of average load 0.118245 LDB: TIME 12968.1 LOAD: AVG 0.118245 MAX 0.200121 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 12968.1 LOAD: AVG 0.118245 MAX 0.200121 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: TIME 12968.1 LOAD: AVG 0.118245 MAX 0.200121 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.863 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12968.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12968.1 PRESSURE: 4364400 -6.58361 123.86 -77.8002 123.859 233.176 -10.7744 -77.8002 -10.7763 -43.0093 GPRESSURE: 4364400 24.9714 151.873 23.8837 112.582 288.432 15.0347 -123.569 -98.08 -29.0165 PRESSAVG: 4364400 0.931873 48.7553 42.2696 48.7552 57.5211 1.30087 42.2695 1.30072 -35.4626 GPRESSAVG: 4364400 2.15158 49.3227 45.0836 47.5441 58.1769 0.376494 41.2355 0.308873 -36.4488 TIMING: 4364400 CPU: 12964.9, 0.00303006/step Wall: 12964.9, 0.00303005/step, 0.534973 hours remaining, 209.894531 MB of memory in use. ENERGY: 4364400 704.2970 2108.6704 1925.6415 123.8568 -206770.1836 18096.0353 0.0000 0.0000 34195.7872 -149615.8954 298.6403 -183811.6826 -149517.5497 298.3416 61.1944 94.7955 557932.8931 7.6635 7.9599 PRESSURE: 4364600 117.668 214.16 0.498816 214.161 -144.126 -16.9384 0.497724 -16.9392 -173.875 GPRESSURE: 4364600 209.271 234.668 -29.6973 259.443 -138.675 84.4378 -15.3804 -72.9871 -174.577 PRESSAVG: 4364600 86.0308 54.4871 6.16309 54.4872 -14.4362 8.74965 6.16308 8.74973 -68.0957 GPRESSAVG: 4364600 85.5752 54.6509 3.59751 53.9791 -13.9108 8.36553 7.0588 10.2989 -68.3264 TIMING: 4364600 CPU: 12965.5, 0.0029734/step Wall: 12965.5, 0.0029734/step, 0.524805 hours remaining, 209.964844 MB of memory in use. ENERGY: 4364600 732.1397 2098.4076 1943.6133 125.8322 -206769.5072 17834.0331 0.0000 0.0000 34569.9352 -149465.5462 301.9078 -184035.4814 -149369.3149 298.6812 -66.7777 -34.6606 556181.8439 1.1663 1.1127 PRESSURE: 4364800 -347.231 98.5979 160.158 98.5988 -421.774 115.722 160.159 115.721 -229.342 GPRESSURE: 4364800 -277.945 48.2578 119.713 159.333 -417.699 57.868 226.742 149.416 -200.293 PRESSAVG: 4364800 102.907 -32.7693 38.2182 -32.7692 -59.9775 19.2464 38.2183 19.2465 -7.44727 GPRESSAVG: 4364800 101.758 -32.7427 38.4354 -30.8199 -59.4983 18.3013 37.8681 18.8374 -7.19999 TIMING: 4364800 CPU: 12966, 0.00293729/step Wall: 12966, 0.00293729/step, 0.518269 hours remaining, 209.964844 MB of memory in use. ENERGY: 4364800 744.8373 2090.7484 1932.2417 125.3867 -206303.0594 17498.8261 0.0000 0.0000 34402.5248 -149508.4944 300.4458 -183911.0192 -149414.4585 298.8728 -332.7825 -298.6454 557830.7709 11.8274 11.6866 PRESSURE: 4365000 122.541 -60.2022 183.477 -60.2015 -48.1747 -46.8785 183.477 -46.8773 85.5051 GPRESSURE: 4365000 71.683 10.2482 97.8245 -38.7408 13.9834 -72.5726 136.898 -15.1511 164.351 PRESSAVG: 4365000 38.2993 -67.1068 12.1132 -67.1068 -2.46789 46.1306 12.1133 46.1306 -28.0483 GPRESSAVG: 4365000 39.7785 -65.7483 11.1195 -67.9185 -4.79121 46.8777 14.0986 47.1591 -27.116 TIMING: 4365000 CPU: 12966.6, 0.00296071/step Wall: 12966.6, 0.00296071/step, 0.522236 hours remaining, 209.964844 MB of memory in use. ENERGY: 4365000 781.6761 2112.7853 1916.9965 113.2572 -206712.8439 17982.6104 0.0000 0.0000 34022.3564 -149783.1621 297.1257 -183805.5185 -149686.2915 297.9317 53.2906 83.3391 555647.1426 2.5944 2.6238 PRESSURE: 4365200 288.793 103.759 43.8711 103.759 -114.392 51.0603 43.8707 51.0595 122.695 GPRESSURE: 4365200 335.441 128.365 121.833 84.5421 -103.772 41.5824 -69.7991 24.5777 171.186 PRESSAVG: 4365200 47.7296 -19.8116 -16.9377 -19.8117 -18.2431 33.7282 -16.9378 33.7282 24.1952 GPRESSAVG: 4365200 48.4754 -21.3406 -15.291 -20.0811 -17.492 32.4691 -20.6138 35.027 23.7944 TIMING: 4365200 CPU: 12967.2, 0.00296193/step Wall: 12967.2, 0.00296193/step, 0.522286 hours remaining, 209.964844 MB of memory in use. ENERGY: 4365200 710.1941 2071.5501 1955.2071 100.3853 -206704.8899 18102.3386 0.0000 0.0000 34098.1058 -149667.1089 297.7872 -183765.2147 -149569.9922 297.2800 99.0318 134.2850 556183.5885 17.8939 18.2593 PRESSURE: 4365400 -272.516 141.236 -101.053 141.236 -66.9547 9.63144 -101.052 9.63322 -34.0134 GPRESSURE: 4365400 -239.639 14.5943 -93.3179 151.724 -45.6029 7.19724 -10.2839 47.1591 4.64884 PRESSAVG: 4365400 23.3215 -48.1026 -0.0521463 -48.1026 -1.91863 22.0974 -0.0521165 22.0973 10.8518 GPRESSAVG: 4365400 22.4994 -49.784 -0.837848 -46.2692 -1.74847 22.9499 3.29031 21.6608 11.4002 TIMING: 4365400 CPU: 12967.8, 0.00297359/step Wall: 12967.8, 0.00297359/step, 0.524178 hours remaining, 209.964844 MB of memory in use. ENERGY: 4365400 744.1725 2044.2222 1902.2264 99.1391 -206194.2272 17615.2572 0.0000 0.0000 34064.6522 -149724.5575 297.4951 -183789.2097 -149627.9702 298.2645 -124.4947 -93.5310 557156.0943 10.7515 10.7171 PRESSURE: 4365600 -63.2658 38.0122 -133.461 38.0124 -167.321 40.0613 -133.461 40.0604 -308.364 GPRESSURE: 4365600 -78.1046 102.701 -120.922 -21.5009 -172.068 92.8725 -83.8647 -7.53326 -188.462 PRESSAVG: 4365600 -38.0081 -3.07079 -28.4422 -3.0708 20.0827 -10.9648 -28.4423 -10.9648 30.5584 GPRESSAVG: 4365600 -37.8907 -0.767302 -29.7268 -2.44513 20.3422 -9.568 -29.3247 -12.3043 30.2342 TIMING: 4365600 CPU: 12968.4, 0.00297396/step Wall: 12968.4, 0.00297396/step, 0.524077 hours remaining, 209.964844 MB of memory in use. ENERGY: 4365600 722.3584 2029.1379 1922.7406 117.8852 -206236.6852 17501.5211 0.0000 0.0000 34366.2376 -149576.8044 300.1289 -183943.0420 -149473.4623 298.0221 -179.6503 -146.2114 557391.3980 4.2110 4.2286 PRESSURE: 4365800 -138.904 -42.0892 -12.6169 -42.0886 -319.572 -45.6183 -12.6174 -45.619 49.1422 GPRESSURE: 4365800 -113.267 -104.572 12.8566 37.8673 -297.938 37.3507 12.2078 -11.426 104.299 PRESSAVG: 4365800 -6.28454 45.1187 -14.2394 45.1188 14.3302 -97.1846 -14.2394 -97.1848 -41.6709 GPRESSAVG: 4365800 -6.66185 45.5223 -12.394 44.9214 15.5505 -98.6189 -14.6051 -95.6643 -42.2605 TIMING: 4365800 CPU: 12969, 0.00295446/step Wall: 12969, 0.00295446/step, 0.520477 hours remaining, 210.003906 MB of memory in use. ENERGY: 4365800 783.5444 2099.3897 1900.6446 110.5154 -206662.0899 17802.3746 0.0000 0.0000 34201.5572 -149764.0641 298.6907 -183965.6214 -149665.8990 297.6832 -136.4447 -102.3019 558336.7588 -11.2084 -11.1239 PRESSURE: 4366000 111.025 33.4811 -110.799 33.4811 -113.418 -74.8037 -110.8 -74.8032 -105.835 GPRESSURE: 4366000 90.501 37.0646 -122.823 -32.987 -44.5624 -132.184 -149.371 -23.7721 -50.4655 PRESSAVG: 4366000 18.6222 74.0353 1.85304 74.0352 8.99535 -21.2011 1.85301 -21.201 -16.9059 GPRESSAVG: 4366000 20.8463 73.2929 0.950438 72.9268 8.47384 -20.5049 -0.259651 -21.6311 -18.0611 TIMING: 4366000 CPU: 12969.6, 0.00294118/step Wall: 12969.6, 0.00294118/step, 0.517975 hours remaining, 210.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4366000 738.1727 2043.8579 1951.0859 105.5352 -206398.0314 17808.7530 0.0000 0.0000 34081.2886 -149669.3381 297.6404 -183750.6267 -149570.1707 298.5278 -36.0760 -1.5090 557755.4790 3.5706 3.7530 PRESSURE: 4366200 -124.025 47.0306 18.2372 47.0304 -51.0564 -113.416 18.2357 -113.418 200.999 GPRESSURE: 4366200 -61.7453 4.53533 31.8477 117.546 -26.0262 -120.443 1.83266 -113.61 202.663 PRESSAVG: 4366200 45.8534 38.7984 -18.3971 38.7984 -7.02389 40.5703 -18.3969 40.5703 -6.47097 GPRESSAVG: 4366200 43.5809 37.4069 -18.3106 39.6818 -6.86241 40.6922 -17.4719 38.6352 -4.44333 TIMING: 4366200 CPU: 12970.2, 0.00295003/step Wall: 12970.2, 0.00295003/step, 0.519369 hours remaining, 210.003906 MB of memory in use. ENERGY: 4366200 768.6807 2115.9986 1936.7708 111.0489 -206234.3328 17774.8971 0.0000 0.0000 33906.7291 -149620.2075 296.1159 -183526.9367 -149526.7983 298.3827 8.6392 38.2970 557308.0673 10.7862 10.7584 PRESSURE: 4366400 -207.655 209.44 11.0804 209.438 -262 -80.1668 11.0814 -80.1669 -386.905 GPRESSURE: 4366400 -140.447 161.267 -15.245 228.684 -245.105 -168.901 40.7699 -104.02 -379.633 PRESSAVG: 4366400 17.9191 -19.9503 6.61386 -19.9503 26.6472 -13.0441 6.61385 -13.0441 27.7739 GPRESSAVG: 4366400 19.3266 -19.082 5.28935 -20.9374 26.1694 -14.2464 8.99432 -11.5074 27.3455 TIMING: 4366400 CPU: 12970.8, 0.00296899/step Wall: 12970.8, 0.00296899/step, 0.522542 hours remaining, 210.070312 MB of memory in use. ENERGY: 4366400 755.5540 2084.1002 1933.1309 101.5242 -205957.2307 17348.9233 0.0000 0.0000 34260.3413 -149473.6569 299.2041 -183733.9982 -149377.0712 298.7308 -285.5198 -255.0616 557353.9851 24.1134 24.2805 PRESSURE: 4366600 -158.63 10.7264 -69.6262 10.7282 100.838 145.821 -69.625 145.822 -150.033 GPRESSURE: 4366600 -102.305 81.0661 19.0849 -10.6775 120.211 155.09 -104.034 128.841 -128.17 PRESSAVG: 4366600 9.13742 23.4777 -40.7499 23.4777 -59.3642 51.1784 -40.7498 51.1783 5.2151 GPRESSAVG: 4366600 8.29895 25.2202 -40.7111 25.0885 -58.6154 51.2649 -41.9549 51.1202 5.62592 TIMING: 4366600 CPU: 12971.4, 0.00295067/step Wall: 12971.4, 0.00295067/step, 0.519154 hours remaining, 210.070312 MB of memory in use. ENERGY: 4366600 777.6837 2109.5380 1944.0604 102.6746 -206417.7154 17775.2841 0.0000 0.0000 34138.6558 -149569.8187 298.1414 -183708.4745 -149478.1868 298.6363 -69.2752 -36.7548 558094.6983 -15.0039 -14.8969 PRESSURE: 4366800 329.447 -23.2837 20.8111 -23.2836 172.1 7.16759 20.8121 7.16785 -129.377 GPRESSURE: 4366800 330.376 -68.9414 28.0816 53.4524 185.009 58.3529 -4.61753 1.15043 -58.5698 PRESSAVG: 4366800 52.7462 -12.5416 3.14309 -12.5416 35.9614 17.3199 3.14308 17.32 -52.1419 GPRESSAVG: 4366800 52.0059 -11.9132 5.51103 -16.8872 35.9775 18.2503 2.61513 18.0177 -51.6607 TIMING: 4366800 CPU: 12972, 0.00294463/step Wall: 12972, 0.00294463/step, 0.517927 hours remaining, 210.070312 MB of memory in use. ENERGY: 4366800 760.5278 2107.0508 1933.9645 104.2264 -206768.7640 18160.3250 0.0000 0.0000 34035.5857 -149667.0838 297.2412 -183702.6695 -149570.1512 297.8389 124.0566 152.2715 558081.7548 12.1886 12.1076 PRESSURE: 4367000 -173.306 -97.045 112.035 -97.0453 130.315 163.26 112.034 163.262 54.5102 GPRESSURE: 4367000 -89.6966 -183.701 142.718 -76.4383 184.214 89.9837 144.693 208.248 11.6211 PRESSAVG: 4367000 6.06619 -37.6476 -26.6744 -37.6476 4.14601 51.1019 -26.6744 51.1019 3.69332 GPRESSAVG: 4367000 8.28164 -42.4755 -27.585 -33.0369 4.36018 51.6916 -24.9898 48.4098 1.50016 TIMING: 4367000 CPU: 12972.5, 0.00291373/step Wall: 12972.5, 0.00291373/step, 0.51233 hours remaining, 210.070312 MB of memory in use. ENERGY: 4367000 771.4889 2072.3718 1927.9351 107.1707 -206603.7499 17888.4116 0.0000 0.0000 34199.4131 -149636.9588 298.6720 -183836.3719 -149539.4058 298.5919 3.8398 35.3795 557803.1651 4.6352 4.7140 PRESSURE: 4367200 0.702062 119.929 57.3246 119.928 -235.743 22.3281 57.3232 22.3267 -226.264 GPRESSURE: 4367200 10.6585 199.461 99.0318 43.0167 -202.193 5.86632 98.1788 27.982 -193.126 PRESSAVG: 4367200 25.3524 30.0957 71.8025 30.0957 10.3193 6.75705 71.8025 6.75713 -41.5119 GPRESSAVG: 4367200 24.3405 31.5815 69.0514 28.6717 11.0299 8.10953 72.2129 7.04978 -40.1472 TIMING: 4367200 CPU: 12973.1, 0.00290399/step Wall: 12973.1, 0.00290399/step, 0.510456 hours remaining, 210.070312 MB of memory in use. ENERGY: 4367200 737.4814 2092.2562 1927.0871 122.3422 -206298.4231 17761.3671 0.0000 0.0000 34155.4568 -149502.4322 298.2881 -183657.8890 -149397.3457 298.2498 -153.7684 -128.2204 560562.2879 -1.9467 -1.5923 PRESSURE: 4367400 -34.1955 -95.937 -22.2148 -95.9359 61.2784 98.8278 -22.2151 98.8296 -285.952 GPRESSURE: 4367400 36.2131 -154.309 -78.1945 -132.271 72.137 78.6163 -19.0846 91.1425 -264.864 PRESSAVG: 4367400 10.6076 -51.1501 17.0911 -51.15 38.9112 -5.15945 17.0912 -5.15943 -38.9033 GPRESSAVG: 4367400 11.4751 -49.535 20.5924 -51.0693 37.3054 -6.23215 13.1274 -3.60785 -37.7223 TIMING: 4367400 CPU: 12973.7, 0.00290109/step Wall: 12973.7, 0.00290109/step, 0.509787 hours remaining, 210.070312 MB of memory in use. ENERGY: 4367400 748.0414 2081.8936 1951.7690 111.1884 -206608.6121 17753.7631 0.0000 0.0000 34181.6275 -149780.3291 298.5167 -183961.9566 -149679.4447 298.3608 -86.2896 -52.1714 558359.2749 3.5385 3.6861 PRESSURE: 4367600 -200.186 -46.3271 -72.4654 -46.3266 95.0425 -6.823 -72.4656 -6.8226 64.79 GPRESSURE: 4367600 -176.152 -96.25 -117.102 -81.2161 129.561 -16.4478 -133.184 6.4779 105.084 PRESSAVG: 4367600 25.5509 -19.0148 -8.52478 -19.0147 8.84693 22.1845 -8.52473 22.1844 -54.2725 GPRESSAVG: 4367600 24.2561 -20.718 -8.83712 -20.7544 9.79642 20.0086 -6.23655 23.0362 -54.4582 TIMING: 4367600 CPU: 12974.3, 0.00291452/step Wall: 12974.3, 0.00291452/step, 0.511984 hours remaining, 210.070312 MB of memory in use. ENERGY: 4367600 695.2083 2081.3622 1940.1132 109.4530 -206520.0291 17833.1345 0.0000 0.0000 34133.7884 -149726.9696 298.0989 -183860.7580 -149632.8960 297.7239 -13.4511 19.4976 557538.3642 -6.6249 -6.8019 PRESSURE: 4367800 133.602 -16.1096 -34.8221 -16.1091 84.0938 -13.007 -34.823 -13.0083 107.932 GPRESSURE: 4367800 148.753 9.70448 -6.3603 11.9973 119.405 -7.55766 -37.6529 -28.7397 157.785 PRESSAVG: 4367800 41.5845 2.43281 -6.31359 2.43285 -18.8636 -51.5069 -6.31358 -51.5069 -11.6832 GPRESSAVG: 4367800 43.5407 3.00946 -7.69306 3.28603 -19.2195 -51.0859 -6.66089 -50.9172 -12.9785 TIMING: 4367800 CPU: 12974.9, 0.00292458/step Wall: 12974.9, 0.00292458/step, 0.513588 hours remaining, 210.070312 MB of memory in use. ENERGY: 4367800 756.9443 2068.3932 1940.8131 108.1727 -206783.8805 18188.6948 0.0000 0.0000 33923.1607 -149797.7018 296.2594 -183720.8625 -149696.4493 297.3987 108.5424 141.9808 558035.7361 3.6792 3.7809 PRESSURE: 4368000 105.23 -94.3635 15.484 -94.3639 -280.437 28.8659 15.4823 28.8656 -100.435 GPRESSURE: 4368000 76.4398 -44.4124 38.1352 -179.2 -182.513 66.139 20.2854 -6.02011 -82.6453 PRESSAVG: 4368000 -6.07439 -42.2161 -32.2392 -42.2159 -31.8475 12.1598 -32.2393 12.1596 50.0422 GPRESSAVG: 4368000 -6.90738 -40.1326 -31.3516 -43.8342 -30.77 12.1505 -32.0305 11.8029 50.5586 TIMING: 4368000 CPU: 12975.5, 0.002932/step Wall: 12975.5, 0.002932/step, 0.51473 hours remaining, 210.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4368000 704.0187 2059.5638 1928.9672 107.7068 -206468.0891 17837.3419 0.0000 0.0000 34057.7998 -149772.6908 297.4352 -183830.4906 -149680.6419 297.4207 -91.8806 -62.9061 558236.2836 4.0401 4.2938 PRESSURE: 4368200 -23.7443 -11.2334 117.351 -11.2332 144.543 -61.5418 117.351 -61.5428 -210.615 GPRESSURE: 4368200 19.6995 -47.6357 74.7739 -83.4363 168.762 -41.3489 131.151 -93.7725 -176.364 PRESSAVG: 4368200 6.99056 -42.4196 -15.9375 -42.4196 10.0067 2.90399 -15.9375 2.90396 -8.16603 GPRESSAVG: 4368200 6.09142 -45.6275 -16.3584 -41.9208 9.83156 3.66054 -16.3352 1.85951 -7.30718 TIMING: 4368200 CPU: 12976, 0.00292403/step Wall: 12976, 0.00292403/step, 0.513167 hours remaining, 210.070312 MB of memory in use. ENERGY: 4368200 751.9393 2047.3906 1948.4293 119.2797 -206616.4901 18044.4316 0.0000 0.0000 33889.1666 -149815.8530 295.9625 -183705.0196 -149724.0199 297.6716 -29.9387 4.0322 558599.0858 2.9437 2.8719 LDB: ============= START OF LOAD BALANCING ============== 12979.6 LDB: ============== END OF LOAD BALANCING =============== 12979.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12979.6 LDB: ============= START OF LOAD BALANCING ============== 12979.9 LDB: Largest compute 4801 load 0.021165 is 17.9% of average load 0.118219 LDB: Average compute 0.001734 is 1.5% of average load 0.118219 LDB: TIME 12979.9 LOAD: AVG 0.118219 MAX 0.196142 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.328 MB LDB: TIME 12979.9 LOAD: AVG 0.118219 MAX 0.196142 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.328 MB LDB: TIME 12979.9 LOAD: AVG 0.118219 MAX 0.196142 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.328 MB LDB: ============== END OF LOAD BALANCING =============== 12979.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12979.9 PRESSURE: 4368400 144.011 41.2649 26.8909 41.2654 153.878 18.8813 26.8898 18.8825 -16.2924 GPRESSURE: 4368400 213.595 -24.2142 35.2848 85.3397 99.7162 71.5764 19.3972 -58.2459 51.4795 PRESSAVG: 4368400 -56.5162 1.30689 -12.7695 1.30691 18.1346 83.1138 -12.7696 83.1137 26.4579 GPRESSAVG: 4368400 -56.7128 2.1059 -13.3475 2.63922 17.643 85.6145 -11.8601 82.0424 26.8165 TIMING: 4368400 CPU: 12976.6, 0.00297053/step Wall: 12976.6, 0.00297053/step, 0.521162 hours remaining, 208.164062 MB of memory in use. ENERGY: 4368400 761.3307 2064.1242 1893.6259 110.4316 -207044.4337 18249.8796 0.0000 0.0000 34164.6479 -149800.3938 298.3684 -183965.0417 -149704.9493 297.7649 93.8653 121.5971 557048.9427 -3.9746 -4.0844 PRESSURE: 4368600 49.2524 -60.9626 -15.2483 -60.9629 -106.813 -165.907 -15.2473 -165.906 18.5939 GPRESSURE: 4368600 125.605 -109.212 -22.8635 -85.3224 -97.9784 -136.226 -4.90678 -158.103 14.0428 PRESSAVG: 4368600 25.1761 -20.599 10.2336 -20.5991 -33.8068 18.6884 10.2335 18.6886 21.5715 GPRESSAVG: 4368600 26.4473 -22.4198 11.38 -20.8786 -34.9458 15.8943 9.86327 19.6935 21.6153 TIMING: 4368600 CPU: 12977.2, 0.00293127/step Wall: 12977.2, 0.00293127/step, 0.514113 hours remaining, 208.367188 MB of memory in use. ENERGY: 4368600 724.1532 2011.5258 1936.7594 112.0123 -206423.4008 17742.0876 0.0000 0.0000 33960.6316 -149936.2311 296.5866 -183896.8626 -149842.5673 297.9184 -12.9890 13.8898 557113.6122 4.3136 4.3723 PRESSURE: 4368800 95.4916 -85.9125 -132.794 -85.9104 -49.2979 84.0218 -132.794 84.0215 69.8448 GPRESSURE: 4368800 136.969 -91.7247 -149.305 -147.816 28.5041 57.9743 -71.8669 74.9173 45.7168 PRESSAVG: 4368800 47.8711 -43.0675 46.0357 -43.0676 -54.8224 19.6761 46.0356 19.6761 0.30601 GPRESSAVG: 4368800 47.06 -41.0999 46.2729 -44.3241 -54.8777 20.1085 44.8327 18.3763 0.627259 TIMING: 4368800 CPU: 12977.8, 0.0029377/step Wall: 12977.8, 0.0029377/step, 0.515077 hours remaining, 208.367188 MB of memory in use. ENERGY: 4368800 685.6943 2104.1138 1954.6538 104.0934 -206650.5944 17948.0450 0.0000 0.0000 34093.8341 -149760.1600 297.7499 -183853.9941 -149665.5778 297.6960 38.6795 70.3965 556995.5911 -2.2151 -2.3968 PRESSURE: 4369000 50.6656 -18.6255 -102.934 -18.6247 95.5261 200.236 -102.935 200.234 -19.4954 GPRESSURE: 4369000 91.5436 4.65961 -121.528 16.8801 168.794 65.3164 -63.9099 233.815 -26.7751 PRESSAVG: 4369000 40.037 -42.9921 -37.7004 -42.9921 8.36913 23.3858 -37.7005 23.3857 -56.9676 GPRESSAVG: 4369000 38.8835 -41.7997 -38.4412 -44.0398 9.09419 21.7607 -35.7778 24.3259 -56.6119 TIMING: 4369000 CPU: 12978.4, 0.00291231/step Wall: 12978.4, 0.00291231/step, 0.510464 hours remaining, 208.367188 MB of memory in use. ENERGY: 4369000 746.0285 2066.4869 1938.4382 98.5977 -206779.2771 18061.7924 0.0000 0.0000 34138.8444 -149729.0891 298.1430 -183867.9334 -149635.4185 298.0048 42.2321 77.8542 556549.1565 -2.8538 -2.8781 PRESSURE: 4369200 68.5043 -164.248 -7.40716 -164.248 6.33161 -48.4682 -7.40817 -48.4683 113.293 GPRESSURE: 4369200 63.0311 -157.381 -75.4044 -217.482 72.8139 -30.2231 -42.2103 -109.928 144.098 PRESSAVG: 4369200 11.4377 -29.8539 -71.6188 -29.854 -22.2584 61.237 -71.6188 61.237 4.40613 GPRESSAVG: 4369200 12.0725 -31.3791 -71.0565 -28.1749 -21.483 62.1402 -71.6518 61.6651 3.01536 TIMING: 4369200 CPU: 12979, 0.00291457/step Wall: 12979, 0.00291457/step, 0.510697 hours remaining, 208.367188 MB of memory in use. ENERGY: 4369200 730.0873 2134.7608 1933.8960 117.7139 -206470.0565 17879.3995 0.0000 0.0000 34187.5567 -149486.6422 298.5684 -183674.1989 -149387.3613 298.1058 62.7096 93.3143 556209.4146 -2.1382 -2.1317 PRESSURE: 4369400 -108.045 24.9395 43.6726 24.9396 -43.202 47.6333 43.6734 47.6342 -234.183 GPRESSURE: 4369400 -90.2742 -30.6742 68.769 36.9158 -67.0986 75.3996 160.764 48.5445 -142.914 PRESSAVG: 4369400 28.7024 -27.4556 -38.5456 -27.4556 -46.5911 20.9546 -38.5456 20.9546 31.7737 GPRESSAVG: 4369400 27.6117 -27.3641 -37.9177 -28.5208 -47.6271 20.9903 -36.8991 20.0036 33.5159 TIMING: 4369400 CPU: 12979.6, 0.00291265/step Wall: 12979.6, 0.00291265/step, 0.5102 hours remaining, 208.367188 MB of memory in use. ENERGY: 4369400 744.4920 2148.0032 1932.1622 113.2633 -206224.1834 17624.3878 0.0000 0.0000 34225.3009 -149436.5741 298.8981 -183661.8750 -149341.3586 299.1617 -128.4766 -100.0956 556750.0899 4.6283 4.5002 PRESSURE: 4369600 174.967 44.5508 -105.44 44.551 154.953 -78.209 -105.44 -78.207 191.204 GPRESSURE: 4369600 284.956 -18.32 -58.6036 69.5425 170.805 -13.1561 -151.386 -81.672 162.527 PRESSAVG: 4369600 -3.20796 43.417 34.99 43.417 61.5586 13.2465 34.99 13.2465 -54.7519 GPRESSAVG: 4369600 -1.88425 42.8604 32.9643 45.0758 61.6227 13.2244 33.174 14.091 -56.0077 TIMING: 4369600 CPU: 12980.1, 0.00290798/step Wall: 12980.1, 0.00290798/step, 0.50922 hours remaining, 208.367188 MB of memory in use. ENERGY: 4369600 745.5287 2103.9687 1905.4635 110.4757 -206716.4685 18186.9296 0.0000 0.0000 34213.5176 -149450.5847 298.7952 -183664.1022 -149347.4742 299.0817 173.7081 206.0962 556622.9931 1.1996 1.2436 PRESSURE: 4369800 -109.825 -12.9958 -12.2792 -12.9977 212.983 -15.4574 -12.2791 -15.4579 -14.557 GPRESSURE: 4369800 -26.861 42.0445 -54.9209 -34.4599 179.038 -34.332 18.1714 -52.8105 40.912 PRESSAVG: 4369800 -34.8478 9.59076 -72.1129 9.59061 -1.93541 -31.7978 -72.113 -31.7977 92.8504 GPRESSAVG: 4369800 -34.8273 7.76737 -68.9515 8.25399 -2.8755 -30.6486 -73.7364 -32.4403 93.7651 TIMING: 4369800 CPU: 12980.7, 0.00293859/step Wall: 12980.7, 0.00293859/step, 0.514417 hours remaining, 208.367188 MB of memory in use. ENERGY: 4369800 740.9131 2041.4975 1942.7571 112.7018 -206035.4832 17715.3534 0.0000 0.0000 33919.4080 -149562.8523 296.2266 -183482.2603 -149472.9042 298.4555 29.5337 64.3628 556568.9828 18.6891 18.6874 PRESSURE: 4370000 36.386 -125.736 -135.1 -125.736 -10.2737 -65.6867 -135.101 -65.6877 20.3599 GPRESSURE: 4370000 101.764 -115.882 -126.596 -106.286 -8.75482 -76.2675 -142.354 -12.7684 57.9349 PRESSAVG: 4370000 6.31533 -53.7537 -34.0272 -53.7537 -42.3892 -9.94019 -34.0272 -9.94021 22.7649 GPRESSAVG: 4370000 5.18934 -52.2076 -37.1628 -52.4566 -41.3438 -11.6681 -30.9483 -8.44936 22.2312 TIMING: 4370000 CPU: 12981.3, 0.00294988/step Wall: 12981.3, 0.00294988/step, 0.516229 hours remaining, 208.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4370000 779.7533 2119.5031 1932.1886 121.1202 -206960.9756 18033.9377 0.0000 0.0000 34485.7080 -149488.7646 301.1723 -183974.4727 -149389.5187 298.9569 15.4908 50.3148 557191.4839 -4.4363 -4.6411 PRESSURE: 4370200 -186.924 139.382 -9.49202 139.38 -73.2499 64.0756 -9.49153 64.075 -78.8439 GPRESSURE: 4370200 -154.135 115.061 73.116 85.9676 -30.7991 8.20027 10.3825 128.472 -64.8684 PRESSAVG: 4370200 -44.9576 -41.8077 -37.8626 -41.8077 -22.8333 12.6322 -37.8626 12.6322 42.6003 GPRESSAVG: 4370200 -45.3626 -42.1398 -34.6025 -43.0365 -22.418 15.0164 -39.8904 10.9068 42.4887 TIMING: 4370200 CPU: 12981.9, 0.00295329/step Wall: 12981.9, 0.00295329/step, 0.516662 hours remaining, 208.367188 MB of memory in use. ENERGY: 4370200 756.9206 2050.8616 1929.2723 120.8641 -206214.4659 17729.6307 0.0000 0.0000 34302.0177 -149324.8989 299.5681 -183626.9166 -149227.3207 298.8686 -113.0059 -83.2676 557797.7549 -8.3968 -8.4306 PRESSURE: 4370400 -3.45033 -49.0667 138.03 -49.0677 -92.0449 110.301 138.03 110.299 -126.922 GPRESSURE: 4370400 55.5801 -59.505 93.5741 -46.6143 -44.4336 176.414 176.953 74.6864 -134.059 PRESSAVG: 4370400 -33.5942 47.9904 -13.1012 47.9905 0.888247 -6.36994 -13.1012 -6.36997 60.0557 GPRESSAVG: 4370400 -33.2326 47.7492 -16.318 48.253 0.916985 -7.31814 -12.063 -7.17805 59.649 TIMING: 4370400 CPU: 12982.5, 0.00293869/step Wall: 12982.5, 0.00293868/step, 0.513943 hours remaining, 208.367188 MB of memory in use. ENERGY: 4370400 744.0954 2101.3831 1947.6198 115.6373 -205937.2192 17713.6586 0.0000 0.0000 34129.7691 -149185.0558 298.0638 -183314.8249 -149093.6136 299.1711 -74.1392 -40.9707 557560.1851 9.1166 9.1111 PRESSURE: 4370600 -34.0001 -5.35481 -183.025 -5.35405 -387.935 102.361 -183.025 102.362 -361.116 GPRESSURE: 4370600 -85.1123 0.664858 -171.464 43.8484 -260.964 25.533 -132.301 153.118 -341.123 PRESSAVG: 4370600 15.5481 20.1776 7.4888 20.1776 77.249 -33.918 7.48877 -33.9179 -66.0586 GPRESSAVG: 4370600 13.8623 20.4558 8.77528 20.3738 77.9512 -34.3529 7.92081 -33.5551 -65.203 TIMING: 4370600 CPU: 12983.1, 0.00292823/step Wall: 12983.1, 0.00292823/step, 0.511951 hours remaining, 208.367188 MB of memory in use. ENERGY: 4370600 745.3584 2099.1621 1926.5800 110.8561 -205707.1896 17318.4715 0.0000 0.0000 34341.9075 -149164.8539 299.9164 -183506.7614 -149076.3034 299.9742 -261.0169 -229.0662 556778.1930 8.9128 8.8702 PRESSURE: 4370800 -21.0022 -122.742 94.0795 -122.742 183.651 -111.721 94.0783 -111.722 -18.9204 GPRESSURE: 4370800 -10.783 -266.021 86.6453 -49.0472 249.832 -212.056 50.0188 -114.697 -4.11098 PRESSAVG: 4370800 -33.0092 48.3621 -42.626 48.3622 46.7554 8.76593 -42.626 8.766 -7.61879 GPRESSAVG: 4370800 -31.6392 50.4772 -41.3957 47.6516 45.8319 6.78912 -43.1713 9.58118 -8.78511 TIMING: 4370800 CPU: 12983.7, 0.00293477/step Wall: 12983.7, 0.00293477/step, 0.512933 hours remaining, 208.367188 MB of memory in use. ENERGY: 4370800 717.9569 2103.6235 1918.8711 114.9690 -206313.1202 17703.9407 0.0000 0.0000 34403.7397 -149350.0194 300.4564 -183753.7591 -149253.1976 299.8673 47.9093 78.3126 555819.5585 2.0425 1.8025 PRESSURE: 4371000 -74.7611 15.1011 -67.1235 15.1004 -171.53 -184.026 -67.1224 -184.025 -165.564 GPRESSURE: 4371000 -68.8638 22.8089 -99.9647 63.548 -125.545 -182.539 -17.7864 -110.848 -124.081 PRESSAVG: 4371000 27.7461 -36.0147 -17.207 -36.0147 15.8811 -35.5803 -17.207 -35.5803 -25.0429 GPRESSAVG: 4371000 28.515 -37.9132 -19.5472 -33.6745 15.7113 -31.4718 -18.9212 -37.3281 -25.9301 TIMING: 4371000 CPU: 12984.3, 0.00292837/step Wall: 12984.3, 0.00292837/step, 0.511651 hours remaining, 208.367188 MB of memory in use. ENERGY: 4371000 762.1228 2136.0561 1926.8661 114.0348 -205828.7428 17394.1848 0.0000 0.0000 34200.8414 -149294.6368 298.6845 -183495.4782 -149197.3457 299.6305 -137.2850 -106.1631 557202.8384 6.1947 6.0988 PRESSURE: 4371200 249.814 -27.2545 -102.006 -27.254 -33.7866 87.3142 -102.006 87.3153 -92.2495 GPRESSURE: 4371200 289.48 21.226 -104.152 -5.04295 -44.5071 124.283 -102.096 91.1665 -19.6633 PRESSAVG: 4371200 -11.9062 29.6579 -78.1551 29.6579 -8.10157 -39.3742 -78.1551 -39.3741 58.118 GPRESSAVG: 4371200 -12.8872 28.1403 -77.6266 28.5452 -8.99786 -41.7827 -77.5342 -39.3361 60.1479 TIMING: 4371200 CPU: 12984.8, 0.00295466/step Wall: 12984.8, 0.00295466/step, 0.516081 hours remaining, 208.367188 MB of memory in use. ENERGY: 4371200 741.6055 2142.5461 1938.2323 102.0903 -206256.7305 17766.1595 0.0000 0.0000 34217.8505 -149348.2461 298.8330 -183566.0967 -149254.9034 299.3309 41.2591 75.1033 556552.3388 12.7034 12.7543 PRESSURE: 4371400 108.189 32.2541 -30.192 32.2541 -66.518 -127.306 -30.192 -127.304 102.473 GPRESSURE: 4371400 81.9652 -25.3525 2.88014 44.149 5.41385 -131.25 50.3056 -138.061 162.405 PRESSAVG: 4371400 49.5473 62.6596 -68.2911 62.6594 -49.6686 -40.518 -68.2911 -40.518 4.7575 GPRESSAVG: 4371400 50.2522 63.0546 -68.0511 63.0215 -48.6301 -39.452 -67.6989 -40.1687 3.41024 TIMING: 4371400 CPU: 12985.4, 0.00296164/step Wall: 12985.4, 0.00296164/step, 0.517136 hours remaining, 208.367188 MB of memory in use. ENERGY: 4371400 745.8202 2059.0778 1918.3232 97.9983 -206407.9066 17826.1000 0.0000 0.0000 34354.5469 -149406.0402 300.0268 -183760.5871 -149308.4960 298.7132 48.0482 83.2614 556323.7590 1.5454 1.6774 PRESSURE: 4371600 -94.6559 -101.418 250.769 -101.418 -117.467 -0.0985774 250.77 -0.0986969 216.857 GPRESSURE: 4371600 -59.2877 -116.079 201.353 -54.3934 -60.3004 18.9272 356.762 -21.2064 237.048 PRESSAVG: 4371600 -22.404 31.7841 9.78622 31.7842 -28.0709 -59.831 9.78629 -59.8311 66.9559 GPRESSAVG: 4371600 -22.256 30.951 11.1039 32.0091 -27.8163 -60.6666 11.4467 -57.8286 66.9809 TIMING: 4371600 CPU: 12986, 0.0029782/step Wall: 12986, 0.0029782/step, 0.519861 hours remaining, 208.367188 MB of memory in use. ENERGY: 4371600 751.6068 2098.8460 1938.7893 118.8432 -206357.5996 17904.6506 0.0000 0.0000 34134.6284 -149410.2353 298.1062 -183544.8637 -149315.2975 298.7862 1.5779 39.1532 556871.5381 5.4937 5.6362 PRESSURE: 4371800 -14.6908 -31.0781 -7.85803 -31.0783 -118.783 -0.0853358 -7.85793 -0.0840524 122.886 GPRESSURE: 4371800 23.3309 -146.201 56.3913 -15.4442 -91.7205 22.9453 -142.004 41.776 164.425 PRESSAVG: 4371800 -95.8773 35.9559 -10.7107 35.9559 31.2005 -14.1881 -10.7107 -14.188 54.9911 GPRESSAVG: 4371800 -94.7497 37.8963 -11.3777 35.8239 30.6342 -13.4851 -14.2146 -15.8859 54.0191 TIMING: 4371800 CPU: 12986.6, 0.00296455/step Wall: 12986.6, 0.00296455/step, 0.517314 hours remaining, 208.367188 MB of memory in use. ENERGY: 4371800 766.8375 2173.9991 1923.0331 127.4137 -206374.4343 17762.6941 0.0000 0.0000 34300.8179 -149319.6389 299.5576 -183620.4568 -149226.7116 298.8167 -3.5291 32.0117 556425.3868 -3.2286 -3.3655 PRESSURE: 4372000 -14.5687 -20.8105 32.2611 -20.8109 157.366 -82.1918 32.2604 -82.1916 -133.089 GPRESSURE: 4372000 26.7869 -24.3005 -72.7987 -50.8944 192.794 -50.0489 111.807 -105.271 -108.108 PRESSAVG: 4372000 -39.1354 29.3914 24.1638 29.3914 80.4215 12.1358 24.1638 12.1358 -21.9124 GPRESSAVG: 4372000 -40.2151 28.4543 23.7054 29.5156 79.8677 12.3169 26.1366 12.0736 -20.3401 TIMING: 4372000 CPU: 12987.2, 0.00293978/step Wall: 12987.2, 0.00293978/step, 0.512828 hours remaining, 208.367188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4372000 733.7721 2084.3728 1928.8134 117.4982 -206304.7300 17794.6458 0.0000 0.0000 34180.9361 -149464.6915 298.5106 -183645.6276 -149365.7212 298.7729 3.2362 37.1574 556267.7012 6.4579 6.4375 PRESSURE: 4372200 -136.22 -61.9235 67.3292 -61.9226 213.616 -37.995 67.3286 -37.9927 -404.645 GPRESSURE: 4372200 -89.594 -7.40573 59.5255 -121.75 221.286 -59.7099 104.148 -67.2189 -351.016 PRESSAVG: 4372200 -33.0382 -7.5899 32.8229 -7.5899 69.0997 22.3544 32.8228 22.3544 -18.7437 GPRESSAVG: 4372200 -33.7625 -7.64007 35.5553 -7.38698 69.5102 21.0281 32.6225 24.4838 -18.8095 TIMING: 4372200 CPU: 12987.8, 0.00293534/step Wall: 12987.8, 0.00293534/step, 0.51189 hours remaining, 208.367188 MB of memory in use. ENERGY: 4372200 780.3025 2068.4361 1914.3286 114.1002 -206065.1331 17627.5412 0.0000 0.0000 34033.5213 -149526.9033 297.2232 -183560.4246 -149435.8699 298.4372 -109.0831 -73.1081 556918.6738 5.7726 5.6461 LDB: ============= START OF LOAD BALANCING ============== 12991.4 LDB: ============== END OF LOAD BALANCING =============== 12991.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12991.4 LDB: ============= START OF LOAD BALANCING ============== 12991.6 LDB: Largest compute 4809 load 0.022101 is 18.7% of average load 0.118210 LDB: Average compute 0.001740 is 1.5% of average load 0.118210 LDB: TIME 12991.6 LOAD: AVG 0.11821 MAX 0.196056 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.551 MB LDB: TIME 12991.6 LOAD: AVG 0.11821 MAX 0.196056 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.555 MB LDB: TIME 12991.6 LOAD: AVG 0.11821 MAX 0.196056 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12991.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12991.7 PRESSURE: 4372400 46.031 -9.09621 -66.9433 -9.0971 159.779 76.0914 -66.9435 76.0906 -141.093 GPRESSURE: 4372400 49.5111 -36.2483 -56.9096 -0.502918 219.339 153.535 1.41608 103.259 -105.21 PRESSAVG: 4372400 -5.21722 -5.94097 11.1656 -5.94098 111.645 -13.5098 11.1656 -13.5098 -54.2067 GPRESSAVG: 4372400 -4.23524 -6.10461 8.68812 -5.35958 111.498 -13.1828 10.4106 -15.0639 -55.0189 TIMING: 4372400 CPU: 12988.4, 0.00300239/step Wall: 12988.4, 0.00300239/step, 0.523417 hours remaining, 209.062500 MB of memory in use. ENERGY: 4372400 753.4829 2076.1670 1911.8045 108.3671 -206515.4399 17939.0896 0.0000 0.0000 34240.1384 -149486.3904 299.0276 -183726.5288 -149383.6700 299.1606 21.5726 54.5468 556191.6478 17.4071 17.4145 PRESSURE: 4372600 -125.812 -111.533 -72.7893 -111.534 71.374 -127.829 -72.7901 -127.828 -139.476 GPRESSURE: 4372600 -42.4065 -88.0487 -66.6311 -40.1468 54.6222 -103.499 -41.4098 -126.663 -110.331 PRESSAVG: 4372600 -19.8774 -6.51967 -10.9448 -6.51975 72.2523 8.72409 -10.9449 8.72411 -52.1752 GPRESSAVG: 4372600 -19.6073 -4.98671 -10.4347 -8.28345 71.8766 8.99443 -10.0199 8.36126 -51.9084 TIMING: 4372600 CPU: 12989, 0.00294262/step Wall: 12989, 0.00294262/step, 0.512834 hours remaining, 209.062500 MB of memory in use. ENERGY: 4372600 752.7679 2062.9015 1928.2365 107.8620 -205957.2207 17535.6246 0.0000 0.0000 34262.2811 -149307.5471 299.2210 -183569.8282 -149205.1144 299.7190 -64.6379 -32.7051 557391.2150 0.0666 0.1203 PRESSURE: 4372800 151.41 93.9786 24.3024 93.9774 158.775 148.081 24.3026 148.08 -6.60837 GPRESSURE: 4372800 182.394 89.7707 -21.1196 75.3512 199.451 76.1789 20.2802 173.985 11.2978 PRESSAVG: 4372800 37.9408 48.1779 8.17998 48.1779 21.5412 -10.9762 8.18008 -10.9762 -25.9341 GPRESSAVG: 4372800 36.2692 48.5931 7.08579 47.6711 23.337 -8.49527 8.459 -11.7746 -26.0776 TIMING: 4372800 CPU: 12989.6, 0.00293483/step Wall: 12989.6, 0.00293483/step, 0.511313 hours remaining, 209.062500 MB of memory in use. ENERGY: 4372800 728.4900 2088.0729 1933.5417 108.0920 -206381.6562 17879.3512 0.0000 0.0000 34306.2309 -149337.8775 299.6048 -183644.1084 -149242.5621 299.5910 101.1922 131.0477 557994.7991 11.1826 11.1762 PRESSURE: 4373000 11.2325 114.743 125.143 114.742 -69.457 -46.6376 125.143 -46.6376 -183.536 GPRESSURE: 4373000 57.6277 104.383 114.775 45.7722 -26.0319 8.15674 49.5619 0.675928 -157.368 PRESSAVG: 4373000 39.1698 56.073 2.1184 56.073 45.9845 48.0022 2.11838 48.0022 -50.5605 GPRESSAVG: 4373000 40.2538 53.33 3.32406 56.8395 44.7401 45.8244 1.36188 47.9572 -50.2453 TIMING: 4373000 CPU: 12990.2, 0.00294571/step Wall: 12990.2, 0.00294571/step, 0.513044 hours remaining, 209.062500 MB of memory in use. ENERGY: 4373000 775.4936 2073.3682 1937.6724 116.8825 -206413.4253 17779.0825 0.0000 0.0000 34432.8100 -149298.1161 300.7103 -183730.9261 -149201.2581 299.7979 -80.5867 -41.9240 557047.4089 11.5313 11.5829 PRESSURE: 4373200 -87.31 11.7148 -67.0366 11.7141 105.859 -95.0048 -67.0362 -95.0044 71.8386 GPRESSURE: 4373200 -43.7637 20.0582 -121.634 -24.4506 112.926 24.502 14.1005 -150.784 110.294 PRESSAVG: 4373200 -18.8419 2.344 5.01674 2.34396 8.72291 28.7814 5.01665 28.7814 -39.7071 GPRESSAVG: 4373200 -19.5032 3.60634 3.54042 2.70451 8.95415 29.2852 5.64857 29.3504 -39.7122 TIMING: 4373200 CPU: 12990.8, 0.00293688/step Wall: 12990.8, 0.00293688/step, 0.511344 hours remaining, 209.320312 MB of memory in use. ENERGY: 4373200 744.6712 2028.1941 1933.8056 117.8327 -206158.3050 17855.2052 0.0000 0.0000 34069.2998 -149409.2964 297.5357 -183478.5962 -149312.4676 298.7642 30.1293 59.8188 555679.8032 -16.6087 -16.7537 PRESSURE: 4373400 -254.066 141.24 -110.771 141.24 -66.2851 25.8749 -110.772 25.8735 -150.791 GPRESSURE: 4373400 -233.167 145.805 -110.228 194.893 8.17229 3.78319 -141.179 -11.7698 -138.52 PRESSAVG: 4373400 25.2961 47.3188 2.31562 47.3189 14.0087 -6.63803 2.31568 -6.63802 -12.0687 GPRESSAVG: 4373400 26.1146 44.9001 4.2155 48.7206 14.226 -5.42319 -0.0958098 -6.18614 -12.6122 TIMING: 4373400 CPU: 12991.3, 0.00294545/step Wall: 12991.3, 0.00294545/step, 0.512672 hours remaining, 209.320312 MB of memory in use. ENERGY: 4373400 713.2509 2060.3614 1912.1339 109.9540 -205995.0944 17478.8616 0.0000 0.0000 34280.0714 -149440.4612 299.3764 -183720.5326 -149339.1396 299.3190 -157.0473 -121.1716 557057.6829 9.0787 9.2428 PRESSURE: 4373600 -249.551 13.6444 33.0828 13.6441 -219.408 -3.05686 33.0833 -3.05558 -128.328 GPRESSURE: 4373600 -163.085 38.495 90.5548 0.892352 -221.216 -102.143 -61.2107 -30.639 -121.392 PRESSAVG: 4373600 -1.44932 10.6674 -51.0619 10.6673 -43.344 -3.95865 -51.0618 -3.95862 36.2963 GPRESSAVG: 4373600 -2.31113 11.7688 -52.1349 9.51773 -44.5085 -5.96564 -50.336 -3.49332 37.5569 TIMING: 4373600 CPU: 12991.9, 0.002929/step Wall: 12991.9, 0.002929/step, 0.509646 hours remaining, 209.578125 MB of memory in use. ENERGY: 4373600 756.7040 2057.2028 1935.4423 108.2458 -205797.7660 17418.2516 0.0000 0.0000 34293.1233 -149228.7963 299.4904 -183521.9196 -149130.1146 299.3655 -199.0960 -168.5642 556922.2800 -2.8324 -3.0876 PRESSURE: 4373800 31.1719 92.7917 -27.8822 92.7924 262.535 -78.7222 -27.8819 -78.7214 236.432 GPRESSURE: 4373800 21.2687 110.406 54.6793 41.3986 339.329 -110.21 -7.3047 -33.7518 254.111 PRESSAVG: 4373800 -80.0569 0.176001 -3.98005 0.175988 28.5078 11.2779 -3.98006 11.278 40.6595 GPRESSAVG: 4373800 -79.4557 1.29698 -3.94662 -0.890531 28.881 12.2254 -4.13421 9.41499 39.4436 TIMING: 4373800 CPU: 12992.5, 0.00293692/step Wall: 12992.5, 0.00293692/step, 0.51086 hours remaining, 209.578125 MB of memory in use. ENERGY: 4373800 731.8409 2089.9902 1930.7229 106.9297 -206309.4070 17984.5321 0.0000 0.0000 34154.6703 -149310.7210 298.2812 -183465.3913 -149226.5662 299.4472 176.7130 204.9029 555583.6522 -3.6299 -3.7103 PRESSURE: 4374000 -35.35 -137.815 142.379 -137.814 91.6269 -82.4481 142.378 -82.4486 88.7232 GPRESSURE: 4374000 -15.1664 -158.637 116.599 -151.907 157.588 0.966319 146.519 -104.266 95.2887 PRESSAVG: 4374000 -48.8267 -43.4455 22.8739 -43.4454 35.8181 14.5118 22.8739 14.5118 -4.14846 GPRESSAVG: 4374000 -48.931 -42.8206 24.6301 -41.6201 35.5646 15.1673 22.7803 16.0745 -3.92688 TIMING: 4374000 CPU: 12993.1, 0.00294911/step Wall: 12993.1, 0.00294911/step, 0.512818 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4374000 777.5211 2083.2084 1909.0532 126.8813 -206652.4144 18015.2324 0.0000 0.0000 34207.1505 -149533.3675 298.7396 -183740.5180 -149443.2469 298.3701 48.3333 79.2366 555974.2631 -5.7190 -5.7644 PRESSURE: 4374200 62.2556 99.7219 127.384 99.7211 -149.821 -92.4636 127.384 -92.4646 21.21 GPRESSURE: 4374200 90.4192 103.036 159.642 41.2168 -111.779 -196.109 35.0475 -98.3551 61.1229 PRESSAVG: 4374200 -1.58506 -19.9284 -5.72586 -19.9283 -23.5036 31.5178 -5.72586 31.5179 27.0207 GPRESSAVG: 4374200 -1.52579 -21.9968 -6.908 -20.4836 -23.3923 28.26 -6.79754 32.6131 26.8985 TIMING: 4374200 CPU: 12993.7, 0.00297635/step Wall: 12993.7, 0.00297635/step, 0.517388 hours remaining, 209.578125 MB of memory in use. ENERGY: 4374200 775.3981 2128.2940 1935.9706 108.4172 -206499.4204 17913.5618 0.0000 0.0000 34171.0749 -149466.7037 298.4245 -183637.7786 -149371.8251 298.7133 -22.1186 13.2545 557181.7146 0.6440 0.6601 PRESSURE: 4374400 -217.668 -82.069 53.2499 -82.0692 -198.312 25.0135 53.2503 25.0134 -124.447 GPRESSURE: 4374400 -166.032 -76.7479 103.752 2.63716 -156.243 -113.573 47.6327 7.40396 -144.116 PRESSAVG: 4374400 70.5913 -6.82212 -22.7909 -6.82216 -46.2729 32.2155 -22.7908 32.2156 -23.2825 GPRESSAVG: 4374400 70.4425 -7.35739 -21.7071 -5.87476 -46.5611 33.4233 -22.4785 33.2133 -23.2988 TIMING: 4374400 CPU: 12994.3, 0.00294052/step Wall: 12994.3, 0.00294052/step, 0.510997 hours remaining, 209.578125 MB of memory in use. ENERGY: 4374400 765.9772 2121.6652 1936.4710 99.6740 -206279.5379 17575.5937 0.0000 0.0000 34460.6809 -149319.4759 300.9537 -183780.1567 -149223.8944 298.6448 -180.1424 -155.4637 557568.7090 0.3453 0.1942 PRESSURE: 4374600 -85.7446 -154.648 0.50769 -154.647 74.345 -10.3081 0.507241 -10.3083 -252.574 GPRESSURE: 4374600 -23.592 -14.9804 16.1819 -93.3897 113.248 -5.09367 14.5506 19.151 -252.192 PRESSAVG: 4374600 27.5284 37.2063 12.5318 37.2064 53.3401 23.5896 12.5317 23.5896 -36.6094 GPRESSAVG: 4374600 26.4196 37.6443 11.2193 36.5145 53.6359 24.6416 13.8684 21.6016 -35.065 TIMING: 4374600 CPU: 12994.9, 0.00295531/step Wall: 12994.9, 0.00295531/step, 0.513403 hours remaining, 209.578125 MB of memory in use. ENERGY: 4374600 719.1316 2086.6067 1922.0113 104.2521 -206013.6539 17600.7213 0.0000 0.0000 34335.9346 -149244.9962 299.8643 -183580.9308 -149150.4365 299.2825 -87.9913 -54.1784 557614.4992 14.7530 14.9968 PRESSURE: 4374800 -115.629 75.621 260.656 75.6208 82.0828 -86.0067 260.656 -86.0062 13.1014 GPRESSURE: 4374800 -52.6473 187.256 268.889 97.0546 78.8524 -68.5901 327.866 -73.0961 41.1582 PRESSAVG: 4374800 -68.0591 12.8849 33.197 12.8848 79.8451 -23.5789 33.1969 -23.5789 8.04088 GPRESSAVG: 4374800 -66.7307 12.2014 34.584 14.4104 79.9131 -24.2999 31.2069 -23.5443 6.89417 TIMING: 4374800 CPU: 12995.5, 0.00296935/step Wall: 12995.5, 0.00296935/step, 0.515677 hours remaining, 209.578125 MB of memory in use. ENERGY: 4374800 741.7190 2091.4718 1897.2492 110.6989 -206286.3399 17809.2722 0.0000 0.0000 34374.6229 -149261.3058 300.2021 -183635.9288 -149164.0791 299.0616 -6.8148 22.4544 557793.4740 6.6089 6.6922 PRESSURE: 4375000 20.6768 -26.9558 -214.119 -26.9566 109.24 -26.18 -214.119 -26.1791 67.2296 GPRESSURE: 4375000 7.94597 -90.3187 -270.414 35.6117 169.564 52.5085 -214.557 -104.261 115.726 PRESSAVG: 4375000 -92.2467 -27.502 34.8091 -27.5019 36.4702 -23.8592 34.8091 -23.8592 37.6174 GPRESSAVG: 4375000 -93.2524 -25.1087 34.6803 -29.0895 36.4763 -25.6238 37.2316 -23.1553 38.4467 TIMING: 4375000 CPU: 12996.1, 0.00294411/step Wall: 12996.1, 0.00294411/step, 0.51113 hours remaining, 209.578125 MB of memory in use. ENERGY: 4375000 716.3607 2096.1960 1926.4554 114.6161 -206299.7335 17914.3384 0.0000 0.0000 34334.2735 -149197.4935 299.8497 -183531.7670 -149097.9859 299.5867 65.7155 97.7454 557461.4010 -6.0531 -6.1098 PRESSURE: 4375200 61.4745 -43.9548 -238.525 -43.9559 -152.692 192.788 -238.525 192.788 50.9682 GPRESSURE: 4375200 105.63 23.1292 -307.413 -110.622 -96.6969 240.384 -238.527 127.755 39.1006 PRESSAVG: 4375200 -46.124 15.3678 -64.7663 15.3677 11.9292 -16.1754 -64.7663 -16.1754 58.3314 GPRESSAVG: 4375200 -45.8703 15.3486 -65.7835 14.9728 11.027 -15.771 -66.2917 -17.8033 58.6938 TIMING: 4375200 CPU: 12996.7, 0.00293153/step Wall: 12996.7, 0.00293153/step, 0.508784 hours remaining, 209.578125 MB of memory in use. ENERGY: 4375200 709.5159 2113.3527 1913.5217 114.5261 -206476.6769 17912.2562 0.0000 0.0000 34571.7064 -149141.7980 301.9233 -183713.5044 -149042.2853 299.6434 -13.4164 16.0111 558631.6263 8.0455 7.9502 PRESSURE: 4375400 164.759 -135.896 -73.4912 -135.894 214.091 -31.125 -73.4906 -31.1256 -33.4114 GPRESSURE: 4375400 181.022 -206.161 -62.9515 -52.0581 281.004 -58.5551 -10.258 -37.3132 -15.7194 PRESSAVG: 4375400 -62.0566 21.7841 23.4834 21.784 48.1494 -4.10166 23.4834 -4.10157 -62.7189 GPRESSAVG: 4375400 -62.3407 21.5186 25.4479 21.3638 49.0304 -2.23626 24.0819 -3.08055 -63.2936 TIMING: 4375400 CPU: 12997.2, 0.0029124/step Wall: 12997.2, 0.0029124/step, 0.505301 hours remaining, 209.578125 MB of memory in use. ENERGY: 4375400 775.4974 2102.4062 1915.7465 116.0563 -206418.3403 18047.4654 0.0000 0.0000 34225.9446 -149235.2239 298.9037 -183461.1685 -149141.2325 299.1745 115.1462 148.7691 557160.1129 -25.5420 -25.5346 PRESSURE: 4375600 -54.8229 -120.382 -24.1406 -120.382 197 164.471 -24.1413 164.47 20.6893 GPRESSURE: 4375600 1.02109 -89.8814 2.60096 -118.022 237.761 145.722 46.1883 106.794 11.721 PRESSAVG: 4375600 -3.07601 -37.483 21.1433 -37.4831 47.6341 25.6904 21.1433 25.6904 -17.7946 GPRESSAVG: 4375600 -3.72771 -38.5987 20.735 -34.491 46.8694 21.7547 22.8376 26.8225 -16.4671 TIMING: 4375600 CPU: 12997.8, 0.0029217/step Wall: 12997.8, 0.0029217/step, 0.506753 hours remaining, 209.578125 MB of memory in use. ENERGY: 4375600 740.8435 2091.9977 1948.5319 104.3859 -206093.3108 17810.7867 0.0000 0.0000 34157.4462 -149239.3188 298.3055 -183396.7650 -149144.9486 299.2459 54.2887 83.5009 557745.7621 8.9211 8.8915 PRESSURE: 4375800 -258.358 7.17029 -20.1131 7.16975 -164.827 -23.8161 -20.1133 -23.8158 -282.977 GPRESSURE: 4375800 -195.394 -14.774 16.4727 57.9525 -131.285 109.174 21.3413 -98.6273 -277.366 PRESSAVG: 4375800 2.60417 -53.8657 33.1002 -53.8657 -33.6914 18.3997 33.1002 18.3998 10.4463 GPRESSAVG: 4375800 3.4391 -55.1775 32.0856 -54.1837 -32.7956 22.315 31.8151 16.2471 8.94077 TIMING: 4375800 CPU: 12998.4, 0.00291021/step Wall: 12998.4, 0.00291021/step, 0.504597 hours remaining, 209.578125 MB of memory in use. ENERGY: 4375800 745.1322 2102.4894 1919.6853 115.2826 -206137.7670 17646.0715 0.0000 0.0000 34269.7627 -149339.3432 299.2864 -183609.1060 -149247.1973 298.7235 -235.3873 -201.3484 558894.0147 -6.8803 -6.8052 PRESSURE: 4376000 -188.524 49.3815 -101.926 49.3819 4.52564 60.0783 -101.925 60.0774 192.815 GPRESSURE: 4376000 -94.1024 -39.815 -54.7459 29.564 48.5288 62.3203 -128.931 117.932 162.956 PRESSAVG: 4376000 -25.6786 -36.543 -20.2809 -36.543 38.6018 15.8498 -20.2808 15.8499 33.8212 GPRESSAVG: 4376000 -25.259 -33.9765 -18.0389 -38.0288 38.0186 15.6221 -20.5342 16.6112 34.269 TIMING: 4376000 CPU: 12999, 0.00292097/step Wall: 12999, 0.00292097/step, 0.506301 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4376000 760.6876 2080.8859 1961.5689 104.3084 -205814.3282 17745.0966 0.0000 0.0000 34059.6708 -149102.1100 297.4516 -183161.7809 -149007.8425 299.1280 2.9390 39.1276 559047.6776 15.5815 15.6762 PRESSURE: 4376200 -250.403 39.6422 89.688 39.6418 249.818 -206.573 89.6882 -206.575 -16.5123 GPRESSURE: 4376200 -229.568 35.5329 63.2835 78.8826 301.515 -166.473 10.1902 -248.802 -1.25224 PRESSAVG: 4376200 -15.8905 -33.6109 -8.2205 -33.6108 -2.93454 -31.5922 -8.22053 -31.5921 -2.13702 GPRESSAVG: 4376200 -16.6896 -33.6413 -10.9372 -33.7869 -2.55753 -32.8284 -7.93897 -31.4502 -1.78205 TIMING: 4376200 CPU: 12999.6, 0.00291671/step Wall: 12999.6, 0.00291671/step, 0.505402 hours remaining, 209.578125 MB of memory in use. ENERGY: 4376200 781.5870 2151.6436 1926.9946 102.8166 -206101.4377 17834.0028 0.0000 0.0000 34272.9595 -149031.4336 299.3143 -183304.3932 -148928.3546 299.8113 -5.6989 23.5650 556452.2183 -6.9873 -7.0097 LDB: ============= START OF LOAD BALANCING ============== 13003.1 LDB: ============== END OF LOAD BALANCING =============== 13003.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13003.1 LDB: ============= START OF LOAD BALANCING ============== 13003.4 LDB: Largest compute 4809 load 0.022605 is 19.1% of average load 0.118250 LDB: Average compute 0.001740 is 1.5% of average load 0.118250 LDB: TIME 13003.4 LOAD: AVG 0.11825 MAX 0.196647 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.039 MB LDB: TIME 13003.4 LOAD: AVG 0.11825 MAX 0.196647 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.047 MB LDB: TIME 13003.4 LOAD: AVG 0.11825 MAX 0.196647 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.047 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13003.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13003.4 PRESSURE: 4376400 -24.892 172.231 -188.779 172.231 99.2152 134.545 -188.779 134.546 -203.047 GPRESSURE: 4376400 46.3814 141.011 -162.037 251.651 151.972 120.848 -125.61 232.638 -229.028 PRESSAVG: 4376400 7.25247 -33.5698 -6.13836 -33.5698 17.6959 5.51311 -6.13833 5.513 -1.26722 GPRESSAVG: 4376400 9.56872 -35.108 -3.97366 -32.9602 16.3827 5.48578 -5.56328 5.5075 -2.17459 TIMING: 4376400 CPU: 13000.2, 0.00298021/step Wall: 13000.2, 0.00298021/step, 0.516238 hours remaining, 208.550781 MB of memory in use. ENERGY: 4376400 774.9712 2113.3986 1923.5932 124.0679 -206227.8793 17803.6090 0.0000 0.0000 34557.7261 -148930.5132 301.8012 -183488.2394 -148834.1086 300.0950 -42.9081 -10.2248 556537.1625 7.8937 7.9256 PRESSURE: 4376600 102.802 -14.1919 -106.142 -14.192 -291.909 -87.7069 -106.143 -87.7061 -153.237 GPRESSURE: 4376600 75.1456 -38.2608 -164.568 -28.6031 -262.784 -85.3178 -62.083 -71.6972 -58.5221 PRESSAVG: 4376600 44.1014 -39.4463 -16.3927 -39.4464 -78.4323 57.5663 -16.3928 57.5662 28.4057 GPRESSAVG: 4376600 42.069 -41.2929 -17.0065 -39.3957 -77.7002 58.8608 -16.3631 57.4031 29.6512 TIMING: 4376600 CPU: 13000.8, 0.00295998/step Wall: 13000.8, 0.00295998/step, 0.51257 hours remaining, 208.550781 MB of memory in use. ENERGY: 4376600 740.5358 2110.2003 1943.7891 128.6302 -205462.1403 17520.6129 0.0000 0.0000 33986.8839 -149031.4882 296.8159 -183018.3720 -148936.5474 300.2055 -114.1148 -82.0534 558303.9412 -1.9751 -1.9933 PRESSURE: 4376800 161.685 77.6969 51.3689 77.6955 -88.4841 35.5153 51.3688 35.5156 -94.6503 GPRESSURE: 4376800 181.688 116.069 17.8709 -48.046 -93.5094 -73.7724 45.4534 104.754 -15.3388 PRESSAVG: 4376800 13.4668 -32.1329 -4.12038 -32.1329 -69.5206 57.7077 -4.12048 57.7076 57.7143 GPRESSAVG: 4376800 12.9225 -30.0913 -3.78487 -33.3956 -69.7258 54.8339 -4.30663 60.4577 59.2027 TIMING: 4376800 CPU: 13001.3, 0.00295297/step Wall: 13001.3, 0.00295297/step, 0.511192 hours remaining, 208.550781 MB of memory in use. ENERGY: 4376800 746.4376 2058.7900 1933.5661 108.8640 -206110.7515 17908.6668 0.0000 0.0000 34409.5378 -148944.8893 300.5071 -183354.4271 -148855.9554 300.2097 -7.1500 24.2798 559550.3331 0.5535 0.7998 PRESSURE: 4377000 -59.4309 92.7392 34.168 92.7409 -114.123 -10.1591 34.1675 -10.1597 -147.806 GPRESSURE: 4377000 1.81854 178.47 57.1672 72.5354 -117.124 -147.714 -23.492 -48.243 -114.985 PRESSAVG: 4377000 40.7614 -5.39242 10.9334 -5.39243 -52.8102 78.6008 10.9333 78.6007 7.44449 GPRESSAVG: 4377000 41.6708 -3.86161 11.8442 -5.53509 -53.014 80.6059 7.7344 76.1127 6.67558 TIMING: 4377000 CPU: 13001.9, 0.00294554/step Wall: 13001.9, 0.00294554/step, 0.509743 hours remaining, 208.550781 MB of memory in use. ENERGY: 4377000 772.9108 2097.0141 1909.4567 119.9639 -206067.0668 17742.0474 0.0000 0.0000 34346.1297 -149079.5441 299.9533 -183425.6738 -148982.5248 299.6358 -107.1200 -76.7635 557886.3724 -1.5348 -1.5559 PRESSURE: 4377200 2.43467 -76.2322 -45.3445 -76.2314 -25.5209 -25.9688 -45.342 -25.9695 -372.332 GPRESSURE: 4377200 39.8897 -11.3553 -36.6264 -108.088 -13.452 14.0987 22.974 -119.59 -314.531 PRESSAVG: 4377200 83.6965 -54.6096 39.6435 -54.6096 -1.54325 -5.39291 39.6434 -5.39301 -61.2212 GPRESSAVG: 4377200 84.5727 -53.1504 38.5156 -57.7591 -1.80835 -6.56079 43.6531 -5.09772 -61.6994 TIMING: 4377200 CPU: 13002.5, 0.00296498/step Wall: 13002.5, 0.00296498/step, 0.512941 hours remaining, 208.550781 MB of memory in use. ENERGY: 4377200 768.6233 2105.3817 1957.2675 119.4367 -206327.6023 17865.6616 0.0000 0.0000 34392.4486 -149118.7829 300.3578 -183511.2315 -149017.4893 299.8040 -131.8059 -96.0312 557961.4008 6.9773 7.0217 PRESSURE: 4377400 0.759805 176.322 -33.7965 176.322 294.608 -7.27876 -33.7979 -7.27748 59.822 GPRESSURE: 4377400 100.557 79.745 -55.0342 186.284 314.897 98.1445 -125.626 -25.8089 36.4566 PRESSAVG: 4377400 -31.9222 -39.0739 -58.9507 -39.0739 14.9598 -39.1009 -58.9507 -39.1009 -8.82128 GPRESSAVG: 4377400 -31.8211 -42.2326 -60.0601 -36.5299 15.0019 -37.041 -59.5124 -39.891 -8.47152 TIMING: 4377400 CPU: 13003.1, 0.00297685/step Wall: 13003.1, 0.00297685/step, 0.514829 hours remaining, 208.550781 MB of memory in use. ENERGY: 4377400 747.1172 2117.5242 1905.0704 104.5419 -206344.3898 18095.0549 0.0000 0.0000 34191.2381 -149183.8432 298.6006 -183375.0813 -149084.4324 299.7184 118.3965 150.6369 556375.7811 -8.5946 -8.4302 PRESSURE: 4377600 206.003 -6.14982 110.54 -6.1496 290.884 -84.8716 110.538 -84.8711 105.86 GPRESSURE: 4377600 206.617 -47.3605 66.1666 31.9089 315.306 -80.2799 85.66 -118.08 189.771 PRESSAVG: 4377600 -67.6332 31.1698 22.0026 31.1697 65.7774 8.75741 22.0026 8.75747 38.2454 GPRESSAVG: 4377600 -68.1762 30.373 20.8669 34.1584 65.5861 8.68092 23.2599 7.51785 38.4011 TIMING: 4377600 CPU: 13003.7, 0.00298486/step Wall: 13003.7, 0.00298486/step, 0.516049 hours remaining, 208.550781 MB of memory in use. ENERGY: 4377600 753.4456 2102.4945 1908.7493 121.7499 -206718.9931 18220.2188 0.0000 0.0000 34221.0160 -149391.3190 298.8606 -183612.3350 -149299.2076 299.2121 200.9159 237.2311 557554.0597 12.1299 11.9370 PRESSURE: 4377800 -99.6575 -162.971 33.417 -162.971 -118.163 -183.865 33.4176 -183.864 -252.46 GPRESSURE: 4377800 -116.491 -184.996 18.6391 -157.864 -73.7515 -195.462 62.4514 -253.886 -191.69 PRESSAVG: 4377800 -5.18941 -13.2769 -12.0418 -13.2769 31.9564 -0.874361 -12.0417 -0.874302 -34.6819 GPRESSAVG: 4377800 -5.13755 -13.3307 -9.24186 -15.2376 31.6948 -1.64442 -14.4405 -0.251494 -34.6545 TIMING: 4377800 CPU: 13004.3, 0.00295212/step Wall: 13004.3, 0.00295212/step, 0.510224 hours remaining, 208.550781 MB of memory in use. ENERGY: 4377800 750.9495 2087.1363 1924.6969 98.8323 -205863.7787 17506.8325 0.0000 0.0000 34180.3943 -149314.9368 298.5059 -183495.3310 -149217.9888 298.9905 -156.7603 -127.3109 558543.2160 -2.6383 -2.6991 PRESSURE: 4378000 243.195 59.1097 36.4983 59.1098 -85.2219 84.6153 36.4983 84.6149 80.9973 GPRESSURE: 4378000 261.787 117.464 9.12215 9.69194 -36.6687 -15.2877 81.3228 159.36 96.8306 PRESSAVG: 4378000 -12.1351 -4.5711 5.11845 -4.57109 -40.5472 36.7157 5.11835 36.7156 22.9168 GPRESSAVG: 4378000 -11.9065 -3.47483 5.12861 -4.75969 -40.7326 35.5545 8.13924 38.6656 23.2909 TIMING: 4378000 CPU: 13004.9, 0.00296537/step Wall: 13004.9, 0.00296537/step, 0.512351 hours remaining, 208.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4378000 717.2467 2153.8984 1936.4747 122.9641 -206158.1921 17778.3491 0.0000 0.0000 34138.4083 -149310.8508 298.1392 -183449.2591 -149220.0772 299.0460 79.6567 107.3164 557704.3640 -9.9218 -9.7827 PRESSURE: 4378200 -37.8373 300.914 91.8775 300.914 233.967 148.792 91.8778 148.793 63.2668 GPRESSURE: 4378200 25.2128 292.386 51.5073 432.092 251.171 84.5355 36.2624 115.284 66.6148 PRESSAVG: 4378200 42.0726 76.2927 34.242 76.2927 27.7475 32.9542 34.242 32.9542 -32.6897 GPRESSAVG: 4378200 41.7221 78.161 33.0963 75.8642 29.2773 34.7194 32.8436 31.5841 -33.8705 TIMING: 4378200 CPU: 13005.5, 0.00295047/step Wall: 13005.5, 0.00295047/step, 0.509611 hours remaining, 208.550781 MB of memory in use. ENERGY: 4378200 741.2915 2138.2804 1939.6060 112.0600 -206471.4196 17938.9585 0.0000 0.0000 34229.6867 -149371.5364 298.9364 -183601.2231 -149277.2032 298.6154 86.4657 114.3329 556040.3639 12.3768 12.3763 PRESSURE: 4378400 -328.56 -204.32 -91.8446 -204.321 -109.812 -75.6264 -91.8444 -75.6264 -88.1476 GPRESSURE: 4378400 -273.049 -197.565 -105.929 -188.598 -63.4271 -122.814 -226.803 -61.8638 -91.7624 PRESSAVG: 4378400 -25.0848 17.2759 -54.4722 17.2759 43.2958 48.7961 -54.4721 48.7962 -26.5084 GPRESSAVG: 4378400 -25.2235 16.1419 -54.9883 18.4589 42.747 48.0349 -54.3485 47.8921 -24.9223 TIMING: 4378400 CPU: 13006.1, 0.00296556/step Wall: 13006.1, 0.00296556/step, 0.512053 hours remaining, 208.550781 MB of memory in use. ENERGY: 4378400 742.1902 2087.3261 1937.8837 122.2369 -206317.7642 17657.7355 0.0000 0.0000 34421.8748 -149348.5170 300.6148 -183770.3918 -149259.4179 298.9851 -175.5063 -142.7463 556910.8883 -2.7658 -2.4662 PRESSURE: 4378600 -103.232 -165.218 48.3102 -165.218 110.02 -65.5491 48.31 -65.5494 -245.266 GPRESSURE: 4378600 -79.8263 -239.742 1.2452 -167.042 136.646 66.8352 47.2456 -124.557 -202.144 PRESSAVG: 4378600 -5.46257 -19.6732 -62.5393 -19.6732 12.015 29.1558 -62.5393 29.1558 -9.72698 GPRESSAVG: 4378600 -4.93894 -19.5682 -59.7652 -20.113 12.9186 28.6642 -61.6454 31.4305 -11.3956 TIMING: 4378600 CPU: 13006.7, 0.00297277/step Wall: 13006.7, 0.00297277/step, 0.513134 hours remaining, 208.550781 MB of memory in use. ENERGY: 4378600 751.3211 2095.1818 1959.8625 112.7817 -206525.3913 17798.3650 0.0000 0.0000 34351.0824 -149456.7968 299.9965 -183807.8792 -149353.8961 299.6315 -79.4928 -48.4412 557129.6535 -1.0582 -1.1386 PRESSURE: 4378800 -33.6158 -63.2597 -190.473 -63.2602 -286.797 -26.3785 -190.473 -26.3787 -8.46492 GPRESSURE: 4378800 -37.5548 -47.013 -167.792 -70.0499 -218.122 -64.6843 -183.929 24.7659 35.7651 PRESSAVG: 4378800 -33.241 -38.9314 1.65957 -38.9314 2.35592 -26.036 1.65956 -26.036 60.245 GPRESSAVG: 4378800 -33.7105 -39.0823 -0.41477 -38.018 1.16655 -26.6775 2.82972 -26.5865 62.1154 TIMING: 4378800 CPU: 13007.3, 0.00295261/step Wall: 13007.3, 0.00295261/step, 0.509489 hours remaining, 208.550781 MB of memory in use. ENERGY: 4378800 813.1412 2048.6589 1951.4586 118.0451 -206357.5539 17682.7954 0.0000 0.0000 34285.4670 -149457.9877 299.4235 -183743.4547 -149352.5094 299.5759 -109.6258 -73.3040 557684.3218 9.7866 9.8572 PRESSURE: 4379000 -45.5396 35.9381 -54.3364 35.9373 72.7026 33.7973 -54.3366 33.7986 -136.838 GPRESSURE: 4379000 30.1026 93.1165 -56.3495 38.0354 103.505 112.579 -57.8667 83.8366 -151.596 PRESSAVG: 4379000 79.7304 11.5298 -43.6919 11.5297 -48.9787 -7.49162 -43.692 -7.49165 -13.1087 GPRESSAVG: 4379000 80.0385 13.8445 -44.0944 9.78216 -47.6631 -5.06903 -43.274 -8.44641 -14.4956 TIMING: 4379000 CPU: 13007.9, 0.00293148/step Wall: 13007.9, 0.00293148/step, 0.50568 hours remaining, 208.550781 MB of memory in use. ENERGY: 4379000 775.3151 2076.4854 1970.1299 112.5455 -206479.6456 17945.3141 0.0000 0.0000 34249.9315 -149349.9241 299.1132 -183599.8556 -149257.1265 299.3830 -36.5582 -5.9960 557692.8137 5.8810 5.9599 PRESSURE: 4379200 -276.129 47.8213 132.515 47.8214 -414.815 94.3584 132.517 94.3592 -369.753 GPRESSURE: 4379200 -278.609 118.26 166.526 11.9949 -358.586 202.453 145.712 48.557 -331.504 PRESSAVG: 4379200 9.44035 -1.14065 2.69919 -1.14071 2.9385 15.9069 2.69907 15.9068 -3.23638 GPRESSAVG: 4379200 10.7273 -2.0568 1.77846 -0.513209 1.39124 15.2171 2.04852 16.2924 -3.2762 TIMING: 4379200 CPU: 13008.4, 0.00293732/step Wall: 13008.4, 0.00293732/step, 0.506524 hours remaining, 208.550781 MB of memory in use. ENERGY: 4379200 733.8098 2096.3687 1938.4044 106.9320 -205816.1131 17275.7150 0.0000 0.0000 34214.3283 -149450.5548 298.8022 -183664.8831 -149351.8524 299.1944 -353.5657 -322.8997 556871.4464 3.0475 2.9474 PRESSURE: 4379400 3.60917 -123.2 88.0624 -123.2 -88.9549 65.2018 88.0622 65.203 139.859 GPRESSURE: 4379400 18.1154 -185.576 96.2523 -43.0608 8.73423 78.5217 125.705 62.6921 106.372 PRESSAVG: 4379400 2.91393 24.5125 -23.5789 24.5125 6.50819 29.2219 -23.5789 29.222 10.9124 GPRESSAVG: 4379400 1.56024 23.1764 -21.5568 24.8881 7.26628 30.1889 -24.2947 29.0585 11.7348 TIMING: 4379400 CPU: 13009, 0.00295938/step Wall: 13009, 0.00295938/step, 0.510164 hours remaining, 208.550781 MB of memory in use. ENERGY: 4379400 717.5744 2094.8437 1935.8267 103.1339 -206237.7343 17784.4173 0.0000 0.0000 34198.4315 -149403.5067 298.6634 -183601.9382 -149310.8444 298.6121 18.1712 44.4070 556149.0759 6.7782 6.8538 PRESSURE: 4379600 125.237 5.33679 -45.3098 5.33751 304.225 8.90179 -45.3102 8.90131 99.4017 GPRESSURE: 4379600 169.368 26.7279 -11.939 36.2858 367.296 38.1693 -6.90076 -7.76687 102.515 PRESSAVG: 4379600 10.2618 -33.754 -6.32467 -33.754 15.1955 32.6066 -6.32468 32.6067 -2.80093 GPRESSAVG: 4379600 9.75343 -31.9985 -6.46608 -35.7071 14.7568 30.4245 -4.8011 32.8582 -1.65368 TIMING: 4379600 CPU: 13009.6, 0.00296848/step Wall: 13009.6, 0.00296848/step, 0.511568 hours remaining, 208.550781 MB of memory in use. ENERGY: 4379600 750.5534 2128.4979 1933.6308 120.4967 -206453.7063 18018.7430 0.0000 0.0000 34218.6098 -149283.1747 298.8396 -183501.7845 -149187.5430 299.1998 176.2879 213.0596 555120.0934 7.5521 7.6189 PRESSURE: 4379800 27.5957 -27.3719 -102.105 -27.3723 23.9885 105.224 -102.106 105.224 -274.181 GPRESSURE: 4379800 102.999 -16.6321 -135.307 -39.0864 6.65094 171.538 -60.8378 91.2959 -231.649 PRESSAVG: 4379800 -18.7643 -14.9414 10.2509 -14.9413 1.29063 20.6908 10.2509 20.6909 -11.2078 GPRESSAVG: 4379800 -17.8567 -16.3627 8.47593 -12.7098 2.06179 19.0675 10.2728 21.1352 -13.2212 TIMING: 4379800 CPU: 13010.2, 0.00295689/step Wall: 13010.2, 0.00295689/step, 0.509406 hours remaining, 208.550781 MB of memory in use. ENERGY: 4379800 729.1609 2082.2529 1910.7331 113.4318 -205526.3277 17392.1220 0.0000 0.0000 34097.6008 -149201.0263 297.7828 -183298.6271 -149106.1293 299.7798 -74.1989 -40.6664 556886.4395 -9.5605 -9.6720 PRESSURE: 4380000 -9.31881 85.8134 3.11387 85.8141 -290.048 21.2601 3.11267 21.2606 -182.123 GPRESSURE: 4380000 12.7828 74.9803 -45.6653 106.874 -258.398 -45.7857 101.632 35.6533 -126.028 PRESSAVG: 4380000 32.5376 -38.4651 -47.8594 -38.4651 -6.99726 26.6019 -47.8593 26.6019 -30.3436 GPRESSAVG: 4380000 32.6562 -38.1555 -47.4584 -37.3082 -6.79038 29.0959 -48.2803 25.2035 -30.8179 TIMING: 4380000 CPU: 13010.8, 0.00293621/step Wall: 13010.8, 0.00293621/step, 0.50568 hours remaining, 208.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4380000 727.6345 2116.6276 1926.2007 119.8338 -205749.7679 17416.0651 0.0000 0.0000 34355.9802 -149087.4260 300.0393 -183443.4062 -148988.5231 299.7637 -160.4966 -123.8810 556717.2387 -1.6011 -1.6507 PRESSURE: 4380200 203.01 11.6506 123.005 11.6506 23.6079 19.3449 123.005 19.3447 80.6255 GPRESSURE: 4380200 178.496 -53.8198 104.861 12.1767 84.035 52.5779 95.4247 189.163 140.65 PRESSAVG: 4380200 -3.62788 -23.6467 44.0606 -23.6467 -22.0889 34.8927 44.0606 34.8927 -9.28829 GPRESSAVG: 4380200 -3.44609 -25.5872 45.3545 -25.3696 -23.7248 36.6092 44.1441 34.7884 -8.52035 TIMING: 4380200 CPU: 13011.4, 0.00291767/step Wall: 13011.4, 0.00291767/step, 0.502325 hours remaining, 208.550781 MB of memory in use. ENERGY: 4380200 725.6294 2086.5608 1916.3370 121.4150 -206324.0279 17995.6866 0.0000 0.0000 34472.2522 -149006.1468 301.0548 -183478.3991 -148908.9938 300.3494 102.4146 134.3936 557910.7363 -11.6684 -11.8971 LDB: ============= START OF LOAD BALANCING ============== 13014.9 LDB: ============== END OF LOAD BALANCING =============== 13014.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13014.9 LDB: ============= START OF LOAD BALANCING ============== 13015.2 LDB: Largest compute 4809 load 0.022121 is 18.7% of average load 0.118253 LDB: Average compute 0.001741 is 1.5% of average load 0.118253 LDB: TIME 13015.2 LOAD: AVG 0.118253 MAX 0.195074 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.484 MB LDB: TIME 13015.2 LOAD: AVG 0.118253 MAX 0.195074 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.684 MB LDB: TIME 13015.2 LOAD: AVG 0.118253 MAX 0.195074 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.684 MB LDB: ============== END OF LOAD BALANCING =============== 13015.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13015.2 PRESSURE: 4380400 -231.044 -63.55 -98.1881 -63.5505 -196.997 -112.859 -98.1888 -112.859 29.0591 GPRESSURE: 4380400 -214.385 -59.2246 -147.102 -115.214 -190.892 -90.0904 -127.794 -118.731 100.62 PRESSAVG: 4380400 23.0987 62.5286 -27.0836 62.5286 -23.5472 4.65717 -27.0837 4.65712 0.686679 GPRESSAVG: 4380400 23.9007 64.2348 -26.4137 61.7677 -23.5065 2.80835 -27.8548 4.29629 -0.648487 TIMING: 4380400 CPU: 13012, 0.002999/step Wall: 13012, 0.002999/step, 0.51616 hours remaining, 208.039062 MB of memory in use. ENERGY: 4380400 745.1464 2044.8310 1927.4789 131.1718 -205806.0048 17662.7815 0.0000 0.0000 34437.1124 -148857.4829 300.7479 -183294.5953 -148764.4662 300.4846 -132.9940 -101.5525 559289.6488 0.0794 -0.0848 PRESSURE: 4380600 -49.6147 -252.696 43.8996 -252.696 -279.899 78.0653 43.8991 78.0657 -259.508 GPRESSURE: 4380600 -84.0157 -299.653 5.2506 -250.806 -256.429 81.0191 48.9302 104.291 -152.042 PRESSAVG: 4380600 -15.0394 0.44806 6.56971 0.44806 -0.474837 -26.2252 6.56971 -26.2251 70.9645 GPRESSAVG: 4380600 -15.2919 0.614669 4.98918 1.75215 -1.53374 -25.6331 5.91554 -24.5581 72.2573 TIMING: 4380600 CPU: 13012.6, 0.00291497/step Wall: 13012.6, 0.00291497/step, 0.501537 hours remaining, 208.238281 MB of memory in use. ENERGY: 4380600 739.9291 2111.6969 1961.9443 123.9904 -205615.9980 17453.6639 0.0000 0.0000 34421.2555 -148803.5179 300.6094 -183224.7734 -148700.9162 300.6915 -196.3406 -164.1621 558661.9723 18.4834 18.4772 PRESSURE: 4380800 -162.09 139.662 108.965 139.663 -209.269 -42.4072 108.965 -42.4086 -225.816 GPRESSURE: 4380800 -103.145 107.246 136.074 164.809 -176.747 -56.5824 92.5997 26.3874 -215.698 PRESSAVG: 4380800 10.6172 -38.0732 14.7353 -38.0732 -52.4111 56.6432 14.7353 56.6431 10.8926 GPRESSAVG: 4380800 10.9711 -39.7415 14.7692 -35.8025 -52.1204 56.51 16.5029 56.3364 10.5668 TIMING: 4380800 CPU: 13013.2, 0.00292073/step Wall: 13013.2, 0.00292073/step, 0.502366 hours remaining, 208.238281 MB of memory in use. ENERGY: 4380800 788.5668 2032.4028 1962.6580 111.3167 -205478.9839 17413.8897 0.0000 0.0000 34346.6303 -148823.5196 299.9577 -183170.1499 -148728.3573 301.0830 -199.0588 -165.1965 557221.8195 -10.3005 -10.1942 PRESSURE: 4381000 306.633 71.2571 -13.7343 71.2556 148.089 -46.1288 -13.7339 -46.1309 -122.06 GPRESSURE: 4381000 333.4 47.7441 1.95924 32.3891 183.015 42.8847 -82.7777 -61.3772 -83.6222 PRESSAVG: 4381000 48.3983 8.23702 -19.1071 8.23705 54.5517 18.1009 -19.1071 18.101 -50.5726 GPRESSAVG: 4381000 48.3554 9.09698 -17.3774 6.76185 54.3908 18.6787 -20.7767 17.2035 -50.943 TIMING: 4381000 CPU: 13013.8, 0.00293685/step Wall: 13013.8, 0.00293685/step, 0.504974 hours remaining, 208.238281 MB of memory in use. ENERGY: 4381000 737.0340 2076.7978 1956.5530 125.7640 -206235.1902 17826.2566 0.0000 0.0000 34593.8684 -148918.9164 302.1169 -183512.7848 -148819.6688 301.1179 110.8873 144.2642 555734.0023 17.4591 17.2677 PRESSURE: 4381200 -195.332 -19.2065 72.8004 -19.2068 -304.273 82.9123 72.7994 82.9106 -171.864 GPRESSURE: 4381200 -162.963 44.8093 -6.48325 -105.702 -260.954 82.7851 90.1167 95.4325 -165.268 PRESSAVG: 4381200 26.1539 -4.95521 -31.6525 -4.95516 27.8702 -20.3274 -31.6525 -20.3273 -46.5748 GPRESSAVG: 4381200 26.2904 -2.2777 -31.1885 -7.94312 26.8431 -18.9796 -30.9439 -21.4874 -46.1193 TIMING: 4381200 CPU: 13014.3, 0.00297455/step Wall: 13014.3, 0.00297455/step, 0.511293 hours remaining, 208.238281 MB of memory in use. ENERGY: 4381200 741.3005 2065.9933 1922.8637 110.0405 -205591.4915 17336.6349 0.0000 0.0000 34260.9459 -149153.7127 299.2094 -183414.6586 -149054.0967 300.4626 -223.8232 -196.3951 556938.1204 2.4831 2.3381 PRESSURE: 4381400 -31.4979 80.0859 97.1677 80.0866 -102.435 105.16 97.1669 105.161 -220.447 GPRESSURE: 4381400 32.3398 73.292 29.1847 106.51 -92.0803 133.482 180.686 60.3188 -190.393 PRESSAVG: 4381400 49.9492 15.0943 -36.651 15.0943 -46.7564 33.5282 -36.6508 33.5282 17.7216 GPRESSAVG: 4381400 49.9551 12.0753 -37.8645 16.2911 -45.9305 33.6981 -36.2685 33.7947 16.6308 TIMING: 4381400 CPU: 13014.9, 0.00296064/step Wall: 13014.9, 0.00296064/step, 0.508737 hours remaining, 208.238281 MB of memory in use. ENERGY: 4381400 761.4274 2087.0196 1912.0395 110.8425 -205673.0768 17447.1473 0.0000 0.0000 34426.9710 -148927.6296 300.6593 -183354.6006 -148822.5034 299.9172 -118.1266 -83.3779 558129.2289 6.9715 6.8851 PRESSURE: 4381600 307.42 -23.9406 58.8632 -23.9412 155.152 -44.5425 58.864 -44.5426 159.842 GPRESSURE: 4381600 295.071 -19.4582 96.9582 31.6057 189.803 -74.5962 87.4172 2.57539 221.96 PRESSAVG: 4381600 15.8749 -34.0252 10.0966 -34.0252 18.5174 -50.8051 10.0966 -50.8051 3.70778 GPRESSAVG: 4381600 15.5145 -33.2105 9.01314 -32.6404 18.152 -51.1555 9.45284 -49.3187 4.2357 TIMING: 4381600 CPU: 13015.5, 0.0029462/step Wall: 13015.5, 0.0029462/step, 0.506092 hours remaining, 208.238281 MB of memory in use. ENERGY: 4381600 726.3671 2116.4329 1948.8989 103.8277 -206592.6596 18224.9941 0.0000 0.0000 34350.9732 -149121.1657 299.9956 -183472.1389 -149026.9169 299.9519 207.4715 235.6114 557381.5938 12.7000 12.6341 PRESSURE: 4381800 -243.695 -135.268 -95.6963 -135.268 -127.973 -13.09 -95.6961 -13.0903 49.6946 GPRESSURE: 4381800 -143.532 -85.2641 -109.581 -137.302 -125.055 -31.1367 -65.9113 -73.2055 55.3735 PRESSAVG: 4381800 -83.7331 -5.12038 17.3099 -5.12045 7.93974 -1.8453 17.31 -1.84526 70.5312 GPRESSAVG: 4381800 -84.3195 -4.93262 20.1327 -4.85452 8.8683 -2.37424 16.8257 -2.56763 70.1369 TIMING: 4381800 CPU: 13016.1, 0.00295294/step Wall: 13016.1, 0.00295294/step, 0.507085 hours remaining, 208.238281 MB of memory in use. ENERGY: 4381800 758.8194 2110.4889 1955.1605 113.3487 -205805.5420 17598.6587 0.0000 0.0000 34123.2858 -149145.7800 298.0071 -183269.0658 -149051.7911 299.6262 -107.3244 -71.0712 557349.8701 -1.7540 -1.7714 PRESSURE: 4382000 -55.985 154.874 5.35488 154.874 49.4873 -27.6631 5.35419 -27.665 -12.2438 GPRESSURE: 4382000 -27.9555 205.193 84.6142 146.107 90.259 -104.003 -21.1808 5.1024 7.70126 PRESSAVG: 4382000 -5.55328 23.8083 17.4969 23.8083 12.8804 4.70428 17.4969 4.70425 -10.5378 GPRESSAVG: 4382000 -4.97611 21.9234 15.2445 24.0537 12.5777 5.97571 18.0578 4.6458 -10.9497 TIMING: 4382000 CPU: 13016.7, 0.0029551/step Wall: 13016.7, 0.0029551/step, 0.507292 hours remaining, 208.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4382000 733.5069 2061.4899 1955.4985 106.6537 -205896.8502 17622.1505 0.0000 0.0000 34276.9541 -149140.5967 299.3492 -183417.5508 -149037.0561 299.5319 -6.2472 23.3349 556797.4189 -1.0703 -1.1160 PRESSURE: 4382200 143.249 23.0161 17.0332 23.0163 -48.6423 51.3011 17.0323 51.3002 309.416 GPRESSURE: 4382200 166.027 -53.3746 39.2368 85.5393 -28.5941 98.6378 -9.55386 32.1684 351.435 PRESSAVG: 4382200 -30.5063 -28.7847 -46.19 -28.7847 -20.6845 -2.20518 -46.1901 -2.20518 45.9679 GPRESSAVG: 4382200 -30.779 -27.2366 -42.9987 -29.2363 -21.295 -2.5675 -47.4988 -1.14502 46.4911 TIMING: 4382200 CPU: 13017.3, 0.00292951/step Wall: 13017.3, 0.00292951/step, 0.502737 hours remaining, 208.277344 MB of memory in use. ENERGY: 4382200 768.0754 2038.6392 1954.9332 108.7980 -206204.1905 17919.3598 0.0000 0.0000 34126.0238 -149288.3611 298.0311 -183414.3848 -149183.4860 299.5053 134.6741 162.9559 556876.2834 -1.7410 -1.8610 PRESSURE: 4382400 388.359 -85.8786 84.5836 -85.8787 -226.514 -92.7225 84.5845 -92.7216 -209.828 GPRESSURE: 4382400 424.918 -129.001 52.6252 -84.9288 -224.161 -114.678 145.132 -108.348 -154.718 PRESSAVG: 4382400 -18.3968 -58.0551 -51.8534 -58.055 -21.7688 22.2309 -51.8534 22.231 32.0356 GPRESSAVG: 4382400 -18.1378 -57.4501 -53.8714 -59.2229 -20.7089 21.6087 -49.6361 21.1639 30.892 TIMING: 4382400 CPU: 13017.9, 0.00291543/step Wall: 13017.9, 0.00291543/step, 0.500159 hours remaining, 208.277344 MB of memory in use. ENERGY: 4382400 762.6951 2085.8376 1946.3091 116.2685 -206057.9970 17607.0187 0.0000 0.0000 34253.7052 -149286.1628 299.1461 -183539.8681 -149195.7899 299.6738 -15.9943 15.3465 556415.7548 -2.7100 -2.6516 PRESSURE: 4382600 -244.88 -37.1759 -37.1571 -37.1759 -82.9983 -204.554 -37.1564 -204.556 -89.1742 GPRESSURE: 4382600 -228.065 21.2284 -4.68227 -62.2421 -24.8249 -192.641 -1.82551 -129.515 -59.4169 PRESSAVG: 4382600 35.0884 -32.8837 -52.8608 -32.8838 49.2321 38.0447 -52.8607 38.0447 -45.8455 GPRESSAVG: 4382600 34.3314 -34.2039 -54.4044 -31.9855 49.0077 38.5418 -53.1079 38.2783 -44.6202 TIMING: 4382600 CPU: 13018.5, 0.00292711/step Wall: 13018.5, 0.00292711/step, 0.501999 hours remaining, 208.277344 MB of memory in use. ENERGY: 4382600 768.1243 2119.5484 1924.5403 118.6470 -206231.1735 17777.9979 0.0000 0.0000 34310.8340 -149211.4815 299.6450 -183522.3155 -149115.0549 299.5307 -139.0174 -104.1022 557886.1352 12.8250 12.9063 PRESSURE: 4382800 -393.417 -38.6177 -291.75 -38.6178 95.2264 -57.7157 -291.75 -57.7162 46.5155 GPRESSURE: 4382800 -309.649 -70.1752 -194.642 19.2009 146.124 -63.4807 -332.298 -63.0009 -9.31868 PRESSAVG: 4382800 8.043 -7.39448 -45.3388 -7.3945 -58.7179 2.91415 -45.3389 2.9142 31.1757 GPRESSAVG: 4382800 8.37792 -4.89444 -42.21 -6.55885 -58.0101 3.65723 -46.715 1.0369 30.4013 TIMING: 4382800 CPU: 13019.1, 0.00294354/step Wall: 13019.1, 0.00294354/step, 0.504654 hours remaining, 208.277344 MB of memory in use. ENERGY: 4382800 735.3111 2070.8002 1933.6602 106.5318 -205428.5998 17361.9400 0.0000 0.0000 34145.0827 -149075.2738 298.1975 -183220.3564 -148977.0460 299.3330 -83.8918 -57.6145 556347.3809 -6.4998 -6.4103 PRESSURE: 4383000 232.232 53.7084 -180.983 53.7077 -157.852 38.935 -180.983 38.9327 137.377 GPRESSURE: 4383000 214.395 56.6842 -167.199 78.373 -100.189 70.5119 -198.458 -26.9932 181.74 PRESSAVG: 4383000 18.1747 -12.5384 -24.2309 -12.5386 26.2888 -43.7231 -24.2308 -43.7231 30.6721 GPRESSAVG: 4383000 17.8379 -14.9461 -27.5524 -13.1442 26.8484 -45.2416 -23.7453 -42.7362 30.3087 TIMING: 4383000 CPU: 13019.6, 0.00292017/step Wall: 13019.6, 0.00292017/step, 0.500485 hours remaining, 208.277344 MB of memory in use. ENERGY: 4383000 734.0312 2137.4422 1939.7474 117.5767 -206646.3192 18036.1279 0.0000 0.0000 34317.7338 -149363.6599 299.7053 -183681.3937 -149268.8899 299.0511 70.5857 98.6490 555778.6139 25.0452 24.9983 PRESSURE: 4383200 -268.425 -73.2318 17.2121 -73.2316 -233.264 82.9587 17.2115 82.9595 -85.0065 GPRESSURE: 4383200 -254.362 -31.5066 24.6728 -138.466 -187.447 116.172 44.8788 1.55486 -46.0768 PRESSAVG: 4383200 -18.5235 -79.2119 -23.4847 -79.2119 -51.3651 -28.0312 -23.4846 -28.0312 39.5885 GPRESSAVG: 4383200 -17.8649 -77.0253 -22.2874 -79.9698 -51.6046 -27.9799 -23.0387 -26.3684 38.9318 TIMING: 4383200 CPU: 13020.2, 0.00293049/step Wall: 13020.2, 0.00293049/step, 0.502091 hours remaining, 208.343750 MB of memory in use. ENERGY: 4383200 762.5931 2080.7458 1940.0407 111.8186 -205949.5269 17478.6166 0.0000 0.0000 34292.4041 -149283.3080 299.4841 -183575.7120 -149190.6987 299.2696 -195.5654 -162.6283 557454.5794 -10.1001 -10.1792 PRESSURE: 4383400 -18.9811 -214.698 92.4283 -214.698 -200.675 -67.8562 92.4279 -67.8563 -196.054 GPRESSURE: 4383400 -21.6687 -171.641 96.7176 -233.014 -193.349 -109.279 74.569 -2.36836 -110.728 PRESSAVG: 4383400 -31.3545 -73.0157 22.3279 -73.0156 9.34079 38.164 22.3278 38.1641 7.52546 GPRESSAVG: 4383400 -33.009 -72.8192 23.0094 -74.0062 9.87004 37.4421 22.6087 37.7737 8.92681 TIMING: 4383400 CPU: 13020.8, 0.00292474/step Wall: 13020.8, 0.00292474/step, 0.500943 hours remaining, 208.343750 MB of memory in use. ENERGY: 4383400 760.1514 2092.5514 1923.9179 105.6771 -205847.6989 17381.5689 0.0000 0.0000 34422.4255 -149161.4068 300.6196 -183583.8323 -149056.5451 299.3752 -138.5698 -108.5818 556726.3259 -4.8294 -4.7374 PRESSURE: 4383600 -141.761 135.462 9.29843 135.462 170.284 -70.5361 9.2979 -70.5346 -131.032 GPRESSURE: 4383600 -122.782 33.2158 -46.7922 221.682 193.86 -52.2187 46.6031 -129.8 -82.2435 PRESSAVG: 4383600 -5.74878 -28.3502 -17.0232 -28.3502 -8.50483 -13.5991 -17.0232 -13.5992 7.0082 GPRESSAVG: 4383600 -5.65522 -28.7645 -16.2369 -28.9983 -8.87906 -12.4798 -16.921 -14.1772 6.90937 TIMING: 4383600 CPU: 13021.4, 0.00292795/step Wall: 13021.4, 0.00292795/step, 0.501331 hours remaining, 208.343750 MB of memory in use. ENERGY: 4383600 742.2073 2086.8888 1961.5035 123.3931 -206271.6238 17768.3721 0.0000 0.0000 34301.5990 -149287.6599 299.5644 -183589.2589 -149188.1565 299.0273 -34.1694 -3.7217 557161.6059 -2.4151 -2.5416 PRESSURE: 4383800 -217.27 -78.3155 2.93046 -78.3154 -167.151 -21.2989 2.93103 -21.2976 -27.1909 GPRESSURE: 4383800 -147.65 -118.935 -22.6601 -102.077 -146.937 20.829 95.3021 13.4878 -12.0909 PRESSAVG: 4383800 -19.0668 -3.25664 -13.7064 -3.2567 93.1171 -39.6286 -13.7064 -39.6285 -45.7751 GPRESSAVG: 4383800 -19.125 -2.2495 -14.283 -2.58188 92.9361 -40.274 -14.4684 -38.583 -45.7693 TIMING: 4383800 CPU: 13022, 0.00294752/step Wall: 13022, 0.00294752/step, 0.504517 hours remaining, 208.343750 MB of memory in use. ENERGY: 4383800 732.3137 2135.5810 1950.1142 102.3935 -206101.0081 17763.1971 0.0000 0.0000 34157.1204 -149260.2883 298.3026 -183417.4086 -149159.9030 299.5247 -137.2041 -102.2258 558317.8654 9.4251 9.3473 PRESSURE: 4384000 53.0674 16.539 -86.5064 16.5379 -18.2917 58.8423 -86.5059 58.8412 258.898 GPRESSURE: 4384000 76.7098 61.0544 -86.6325 -9.0975 32.8423 62.5233 -82.5341 80.1078 276.722 PRESSAVG: 4384000 -77.6493 -19.2035 -32.3715 -19.2035 65.4243 -31.0969 -32.3715 -31.0969 -7.30773 GPRESSAVG: 4384000 -76.0853 -19.6569 -35.8221 -20.1495 65.3848 -31.1772 -30.0694 -32.176 -8.51168 TIMING: 4384000 CPU: 13022.6, 0.00296768/step Wall: 13022.6, 0.00296768/step, 0.507802 hours remaining, 208.343750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4384000 731.9824 2138.1474 1931.7589 104.4785 -206568.1853 18052.1234 0.0000 0.0000 34284.6083 -149325.0863 299.4160 -183609.6946 -149231.5044 299.3313 97.8914 128.7581 556916.2886 -6.5109 -6.4040 PRESSURE: 4384200 -40.266 -35.5879 -211.444 -35.5863 -124.845 181.569 -211.444 181.57 34.7892 GPRESSURE: 4384200 -24.7297 -61.0249 -237.726 34.0631 -100.789 94.2954 -179.388 153.652 84.6224 PRESSAVG: 4384200 41.6289 -34.3401 -7.53325 -34.34 -6.20993 26.3815 -7.53332 26.3815 46.5661 GPRESSAVG: 4384200 40.5651 -34.7285 -6.94208 -33.1051 -6.04476 27.2217 -8.71359 24.8096 47.613 TIMING: 4384200 CPU: 13023.2, 0.00297975/step Wall: 13023.2, 0.00297975/step, 0.509703 hours remaining, 208.343750 MB of memory in use. ENERGY: 4384200 768.8804 2057.5004 1947.9406 117.7058 -206202.6307 17732.0341 0.0000 0.0000 34304.2780 -149274.2913 299.5878 -183578.5694 -149182.7755 299.5701 -43.4406 -13.6322 557009.1198 27.3283 27.3778 LDB: ============= START OF LOAD BALANCING ============== 13026.7 LDB: ============== END OF LOAD BALANCING =============== 13026.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13026.7 LDB: ============= START OF LOAD BALANCING ============== 13027 LDB: Largest compute 4809 load 0.021416 is 18.1% of average load 0.118262 LDB: Average compute 0.001744 is 1.5% of average load 0.118262 LDB: TIME 13027 LOAD: AVG 0.118262 MAX 0.197335 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.062 MB LDB: TIME 13027 LOAD: AVG 0.118262 MAX 0.197335 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.262 MB LDB: TIME 13027 LOAD: AVG 0.118262 MAX 0.197335 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.262 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13027 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13027 PRESSURE: 4384400 284.257 117.278 -88.236 117.279 -68.7464 53.0191 -88.2349 53.0187 -67.9787 GPRESSURE: 4384400 263.152 115.662 -82.4086 97.1894 -1.77342 123.537 -60.4499 35.4622 -16.1856 PRESSAVG: 4384400 -8.8181 30.5407 -52.4628 30.5408 29.5095 -36.3611 -52.4629 -36.3611 -45.1893 GPRESSAVG: 4384400 -8.7016 30.0775 -52.0805 31.2905 30.1686 -34.6878 -52.3486 -35.0527 -46.2161 TIMING: 4384400 CPU: 13023.8, 0.00299483/step Wall: 13023.8, 0.00299483/step, 0.512116 hours remaining, 208.039062 MB of memory in use. ENERGY: 4384400 719.5414 2050.2853 1927.6750 113.2666 -206795.3459 18092.1338 0.0000 0.0000 34309.8217 -149582.6221 299.6362 -183892.4438 -149492.7949 299.0972 49.1772 81.7312 556887.0271 -8.1660 -8.2497 PRESSURE: 4384600 196.98 -130.815 138.937 -130.815 5.55523 36.8063 138.937 36.8075 148.18 GPRESSURE: 4384600 206.028 -192.052 121.895 -117.243 60.0208 21.7082 89.5926 56.887 184.519 PRESSAVG: 4384600 -21.6584 -22.7243 -61.8331 -22.7243 -19.7989 12.3779 -61.8331 12.3779 44.69 GPRESSAVG: 4384600 -21.4669 -22.8823 -60.3303 -24.0156 -20.258 8.42523 -63.6774 12.3591 45.3183 TIMING: 4384600 CPU: 13024.4, 0.00292503/step Wall: 13024.4, 0.00292503/step, 0.500018 hours remaining, 208.238281 MB of memory in use. ENERGY: 4384600 734.2414 2042.4088 1956.0350 109.6885 -206780.9279 18033.1484 0.0000 0.0000 34368.4264 -149536.9794 300.1480 -183905.4058 -149431.3302 298.8370 116.9052 150.1892 555791.1460 1.0776 1.1978 PRESSURE: 4384800 -301.602 107.955 -97.6695 107.955 -339.419 -31.8193 -97.6683 -31.8201 -8.57288 GPRESSURE: 4384800 -301.225 57.2761 -160.379 86.6136 -194.605 51.8686 19.2624 -100.357 -54.8287 PRESSAVG: 4384800 3.93003 11.6565 -24.6057 11.6565 -69.2369 28.6121 -24.6057 28.6121 71.241 GPRESSAVG: 4384800 4.6338 13.8668 -24.739 11.8962 -69.1976 28.4762 -22.3848 28.5634 70.7256 TIMING: 4384800 CPU: 13024.9, 0.00292332/step Wall: 13024.9, 0.00292332/step, 0.499563 hours remaining, 208.238281 MB of memory in use. ENERGY: 4384800 743.3493 2069.1973 1919.2750 103.2789 -206622.0043 17804.1898 0.0000 0.0000 34319.7486 -149662.9654 299.7229 -183982.7140 -149562.9217 298.9140 -216.5315 -183.5529 558157.0693 1.9780 2.0539 PRESSURE: 4385000 -290.986 -100.568 158.706 -100.568 99.3667 -46.0283 158.706 -46.0286 -13.3096 GPRESSURE: 4385000 -225.398 -62.8112 176.555 -89.7557 86.764 -109.577 159.135 9.46087 31.8059 PRESSAVG: 4385000 -42.0285 -6.11347 -2.8115 -6.11347 12.1722 21.9123 -2.81157 21.9124 -24.306 GPRESSAVG: 4385000 -42.3165 -9.7248 -4.18346 -4.27238 12.5532 22.2354 -3.05703 22.2819 -24.2687 TIMING: 4385000 CPU: 13025.5, 0.00293409/step Wall: 13025.5, 0.00293409/step, 0.50124 hours remaining, 208.238281 MB of memory in use. ENERGY: 4385000 773.1385 2042.2207 1922.4267 100.0006 -206488.8548 17692.6859 0.0000 0.0000 34141.2626 -149817.1199 298.1641 -183958.3825 -149724.9544 298.5129 -68.3095 -35.6094 556570.9880 -18.0541 -18.0107 PRESSURE: 4385200 -215.971 63.4633 -24.3803 63.4626 -31.1307 87.1847 -24.3803 87.1852 -235.821 GPRESSURE: 4385200 -166.499 84.5809 -9.40651 -35.9691 14.4195 76.8793 -12.8183 88.6123 -232.765 PRESSAVG: 4385200 0.34434 -2.88974 16.7206 -2.88977 26.2189 36.3787 16.7206 36.3786 -16.9258 GPRESSAVG: 4385200 1.08794 0.926787 17.9086 -5.83193 26.1632 37.6548 17.2382 34.7928 -17.5526 TIMING: 4385200 CPU: 13026.1, 0.0029618/step Wall: 13026.1, 0.0029618/step, 0.50581 hours remaining, 208.238281 MB of memory in use. ENERGY: 4385200 733.2436 2064.7897 1949.9955 117.6662 -205960.7873 17432.7391 0.0000 0.0000 33908.5319 -149753.8214 296.1316 -183662.3533 -149655.7140 297.5725 -160.9742 -128.2815 556548.7746 3.2125 3.2328 PRESSURE: 4385400 -158.833 -105.965 -51.0334 -105.964 -130.88 130.14 -51.0337 130.139 140.901 GPRESSURE: 4385400 -128.535 -102.361 -96.4534 -124.558 -40.6091 71.758 -22.4648 81.0307 118.384 PRESSAVG: 4385400 -23.0638 -25.0235 -43.67 -25.0235 47.4556 -0.379706 -43.67 -0.37973 -44.3456 GPRESSAVG: 4385400 -22.8192 -27.0124 -45.8466 -21.4962 46.1807 -2.10341 -44.0445 -0.292195 -43.5776 TIMING: 4385400 CPU: 13026.7, 0.00295871/step Wall: 13026.7, 0.00295871/step, 0.505118 hours remaining, 208.238281 MB of memory in use. ENERGY: 4385400 705.6339 2117.0448 1914.9442 119.4871 -206383.5551 17611.4642 0.0000 0.0000 34303.5009 -149611.4800 299.5810 -183914.9809 -149517.2394 298.5365 -49.6039 -16.9201 555949.8889 -6.6513 -6.7387 PRESSURE: 4385600 2.73344 -75.1982 -30.3008 -75.198 -107.175 -16.6213 -30.3016 -16.6205 245.098 GPRESSURE: 4385600 27.4162 -102.792 -20.7892 -53.7119 -30.6355 90.0672 -28.5971 -37.7288 234.959 PRESSAVG: 4385600 36.1356 -10.8587 -33.1362 -10.8586 -87.3888 17.3708 -33.1363 17.3708 35.9815 GPRESSAVG: 4385600 36.8636 -9.8596 -30.5119 -13.5343 -87.4174 18.9917 -33.0551 17.2097 35.2101 TIMING: 4385600 CPU: 13027.3, 0.00293619/step Wall: 13027.3, 0.00293619/step, 0.50111 hours remaining, 208.238281 MB of memory in use. ENERGY: 4385600 727.3339 2132.7339 1920.4337 110.8173 -206558.0654 17840.5607 0.0000 0.0000 34190.8605 -149635.3254 298.5973 -183826.1859 -149532.2983 298.8250 46.8855 77.2464 556760.8186 -5.0906 -5.1146 PRESSURE: 4385800 -136.081 -65.9667 72.4393 -65.9658 -162.924 -172.989 72.4407 -172.987 -426.668 GPRESSURE: 4385800 -143.616 -117.626 116.334 -48.6339 -149.201 -164.373 67.3626 -217.257 -324.869 PRESSAVG: 4385800 57.4917 39.6824 41.0008 39.6823 -35.7655 -16.6441 41.0008 -16.644 -47.6566 GPRESSAVG: 4385800 56.0959 41.1536 41.5166 39.7565 -35.5482 -15.6654 39.1386 -15.8125 -46.9541 TIMING: 4385800 CPU: 13027.9, 0.00294667/step Wall: 13027.9, 0.00294667/step, 0.502735 hours remaining, 208.238281 MB of memory in use. ENERGY: 4385800 778.8737 2067.7050 1945.5662 113.3016 -206244.7759 17756.8337 0.0000 0.0000 34013.4334 -149569.0624 297.0478 -183582.4958 -149479.0090 298.3599 -241.8908 -205.8956 557052.1252 -8.6435 -8.8021 PRESSURE: 4386000 -338.7 65.4603 125.017 65.4597 -111.512 112.176 125.016 112.177 -312.382 GPRESSURE: 4386000 -287.505 46.5137 87.4202 98.8409 -80.2177 13.0783 101.982 152.584 -284.561 PRESSAVG: 4386000 4.62597 28.9761 28.2966 28.976 0.589037 20.075 28.2966 20.0751 -22.4574 GPRESSAVG: 4386000 6.34071 28.3332 27.5891 28.4348 -0.287418 16.284 30.5304 20.9228 -23.565 TIMING: 4386000 CPU: 13028.5, 0.00297066/step Wall: 13028.5, 0.00297066/step, 0.506663 hours remaining, 208.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4386000 794.4345 2090.8575 1922.9540 104.7822 -206188.0531 17611.5287 0.0000 0.0000 34058.9300 -149604.5662 297.4451 -183663.4962 -149506.1043 298.9741 -254.1979 -217.4279 558263.0586 -5.7475 -5.8372 PRESSURE: 4386200 -141.686 -68.1696 -3.14594 -68.1704 -15.3065 68.0756 -3.1449 68.0761 30.7888 GPRESSURE: 4386200 -76.702 -147.62 58.231 -0.303933 -17.6143 32.437 -69.9617 76.0692 55.3556 PRESSAVG: 4386200 40.7233 -27.5532 15.0304 -27.5533 -72.4307 16.3485 15.0304 16.3484 62.8689 GPRESSAVG: 4386200 39.6282 -28.513 15.5642 -26.1487 -71.7927 17.4352 12.9415 16.0053 63.8602 TIMING: 4386200 CPU: 13029.1, 0.00296601/step Wall: 13029.1, 0.00296601/step, 0.505706 hours remaining, 208.238281 MB of memory in use. ENERGY: 4386200 747.5961 2044.0844 1929.1401 117.3910 -206563.2343 17924.1111 0.0000 0.0000 34167.6068 -149633.3047 298.3942 -183800.9115 -149537.9654 298.3696 -42.0679 -12.9869 557608.8740 10.3872 10.5653 PRESSURE: 4386400 -21.6848 -74.4418 -3.36302 -74.4426 -286.431 -67.9844 -3.36147 -67.9843 -151.147 GPRESSURE: 4386400 -28.294 -47.3946 -38.3205 -115.461 -220.513 -113.754 -64.9017 -24.6316 -129.041 PRESSAVG: 4386400 70.6459 -55.3953 2.68041 -55.3954 -67.6599 -49.176 2.68045 -49.1759 0.0337675 GPRESSAVG: 4386400 69.9996 -53.7709 3.88894 -55.9485 -67.513 -49.4854 2.36231 -50.614 0.184442 TIMING: 4386400 CPU: 13029.7, 0.00295107/step Wall: 13029.7, 0.00295107/step, 0.502993 hours remaining, 208.238281 MB of memory in use. ENERGY: 4386400 762.5855 2108.1942 1916.7198 119.1338 -206460.5703 17841.9340 0.0000 0.0000 34032.0475 -149679.9554 297.2103 -183712.0029 -149578.5862 297.9394 -153.0878 -125.9493 557149.1042 1.0066 0.8903 PRESSURE: 4386600 299.454 -78.8641 -28.3944 -78.8639 -11.9276 -47.6686 -28.3953 -47.6695 305.45 GPRESSURE: 4386600 303.858 -111.817 -2.5751 -83.691 62.4601 0.963791 -84.6713 -57.3542 318.737 PRESSAVG: 4386600 15.5462 -18.6169 41.8028 -18.6169 -63.4402 -29.1432 41.8028 -29.1432 33.4547 GPRESSAVG: 4386600 16.3027 -18.2905 40.7009 -18.3346 -64.6037 -30.6626 43.6196 -24.4151 33.5627 TIMING: 4386600 CPU: 13030.3, 0.00297028/step Wall: 13030.3, 0.00297028/step, 0.506103 hours remaining, 208.238281 MB of memory in use. ENERGY: 4386600 720.9352 2090.0128 1913.6283 116.7619 -206962.0101 18260.4882 0.0000 0.0000 34152.6040 -149707.5796 298.2632 -183860.1836 -149623.3393 297.7079 197.6588 228.3516 555943.1342 -4.8131 -4.9128 PRESSURE: 4386800 -113.059 41.5005 -103.186 41.5008 -161.034 139.644 -103.185 139.646 -186.16 GPRESSURE: 4386800 -3.33732 85.2198 -60.5362 95.0985 -176.602 146.738 -118.136 137.638 -193.262 PRESSAVG: 4386800 -12.6175 -23.2247 41.1524 -23.2247 -5.34144 38.6858 41.1524 38.6857 21.9661 GPRESSAVG: 4386800 -12.5902 -22.341 43.0298 -24.143 -5.69775 39.8444 39.2901 35.9852 21.9814 TIMING: 4386800 CPU: 13030.9, 0.00296956/step Wall: 13030.9, 0.00296956/step, 0.505814 hours remaining, 208.238281 MB of memory in use. ENERGY: 4386800 723.8377 2069.1919 1937.6578 116.3464 -206337.6597 17603.9680 0.0000 0.0000 34154.1391 -149732.5188 298.2766 -183886.6579 -149631.7051 297.7749 -153.4175 -124.4006 556777.6386 1.3357 1.2312 PRESSURE: 4387000 -40.3172 -116.108 135.629 -116.107 65.9718 6.6991 135.629 6.69877 35.6416 GPRESSURE: 4387000 43.8982 -113.082 129.194 -131.532 74.3283 -84.6163 134.631 86.1236 40.2754 PRESSAVG: 4387000 10.3059 6.69171 29.3782 6.69184 -50.9791 67.872 29.3782 67.8721 30.8461 GPRESSAVG: 4387000 9.69733 5.88109 26.2492 7.87886 -50.3274 68.1024 31.6596 66.8121 30.2609 TIMING: 4387000 CPU: 13031.4, 0.00295684/step Wall: 13031.4, 0.00295684/step, 0.503485 hours remaining, 208.238281 MB of memory in use. ENERGY: 4387000 739.1203 2060.5769 1936.2528 112.6419 -206731.5970 17929.7025 0.0000 0.0000 33980.9005 -149972.4021 296.7637 -183953.3026 -149878.8773 297.7822 20.4321 52.8340 557949.6643 -3.2757 -3.4564 PRESSURE: 4387200 36.7864 57.5999 -51.7462 57.6009 -136.756 -50.8203 -51.7469 -50.8199 -10.4234 GPRESSURE: 4387200 103.768 8.52462 -47.633 93.452 -39.5176 1.6196 -40.6189 -41.3727 -61.2384 PRESSAVG: 4387200 51.0231 -51.5544 -11.1185 -51.5544 -42.1716 -13.777 -11.1184 -13.777 -2.91403 GPRESSAVG: 4387200 50.7809 -53.8462 -10.5585 -50.8996 -41.9522 -14.2164 -10.873 -13.8834 -3.53533 TIMING: 4387200 CPU: 13032, 0.00297219/step Wall: 13032, 0.00297219/step, 0.505933 hours remaining, 208.238281 MB of memory in use. ENERGY: 4387200 755.3391 2070.6273 1899.2656 121.0189 -206757.7443 17907.5875 0.0000 0.0000 34074.2930 -149929.6128 297.5793 -184003.9058 -149825.6728 297.6421 -36.7978 1.0041 557498.2045 1.9792 1.7645 PRESSURE: 4387400 83.6997 97.0468 192.565 97.0451 80.4993 -121.088 192.565 -121.088 -169.977 GPRESSURE: 4387400 134.068 67.1634 227.707 84.8758 80.2835 -52.5088 97.5873 -79.179 -119.387 PRESSAVG: 4387400 -58.6103 -27.7091 -21.5675 -27.7092 41.0816 -28.6529 -21.5675 -28.6529 4.96338 GPRESSAVG: 4387400 -58.4524 -27.8191 -18.389 -26.5618 40.28 -29.0135 -24.2876 -26.1729 5.81001 TIMING: 4387400 CPU: 13032.6, 0.00295135/step Wall: 13032.6, 0.00295135/step, 0.502221 hours remaining, 208.238281 MB of memory in use. ENERGY: 4387400 712.7291 2150.9172 1937.5732 108.7478 -206857.3966 17973.4316 0.0000 0.0000 33946.3647 -150027.6329 296.4620 -183973.9976 -149934.1534 297.2950 -1.9260 31.6549 557868.5974 -4.1885 -4.1208 PRESSURE: 4387600 109.388 45.3265 4.87056 45.3264 -6.88358 -122.001 4.87042 -121.999 125.997 GPRESSURE: 4387600 139.041 63.8001 -91.4111 29.6099 33.6231 -115.635 138.067 -119.14 159.353 PRESSAVG: 4387600 -46.76 11.5171 -14.4576 11.5172 -14.5186 -46.2152 -14.4576 -46.2153 -9.70222 GPRESSAVG: 4387600 -46.6974 11.4334 -15.8588 10.9254 -13.2766 -45.303 -11.8324 -49.5681 -11.0605 TIMING: 4387600 CPU: 13033.2, 0.00296637/step Wall: 13033.2, 0.00296637/step, 0.504613 hours remaining, 208.238281 MB of memory in use. ENERGY: 4387600 752.2238 2056.4398 1952.7228 114.6144 -207118.7921 18084.8196 0.0000 0.0000 34253.6047 -149904.3670 299.1452 -184157.9717 -149816.5060 296.9858 76.1672 110.6725 556472.4407 -23.6603 -23.6782 PRESSURE: 4387800 -154.819 42.8133 -78.5423 42.8133 -62.1655 -64.1869 -78.5418 -64.187 -165.703 GPRESSURE: 4387800 -160.801 109.437 -118.114 -4.63414 -62.3526 -84.1928 -106.966 -30.2892 -53.1177 PRESSAVG: 4387800 -4.15383 5.48845 29.5275 5.48845 -10.0127 -80.7831 29.5274 -80.783 -26.7445 GPRESSAVG: 4387800 -4.81595 4.38496 30.0726 6.4765 -9.64452 -80.4974 28.4243 -78.7953 -27.1161 TIMING: 4387800 CPU: 13033.8, 0.0029213/step Wall: 13033.8, 0.0029213/step, 0.496782 hours remaining, 208.238281 MB of memory in use. ENERGY: 4387800 802.1191 2046.1441 1937.5929 103.4974 -206779.3876 17919.7770 0.0000 0.0000 33857.4635 -150112.7936 295.6856 -183970.2571 -150010.3809 296.6039 -127.5625 -92.0903 556738.2261 -13.6370 -13.8589 PRESSURE: 4388000 -103.033 217.118 184.864 217.118 29.891 -18.3786 184.863 -18.3785 111.742 GPRESSURE: 4388000 -94.9488 216.421 193.373 222.173 108.236 -53.5959 258.981 -38.7086 109.822 PRESSAVG: 4388000 55.6445 -10.6425 -30.4154 -10.6426 -61.7191 -6.59636 -30.4153 -6.5964 25.683 GPRESSAVG: 4388000 55.2886 -11.0486 -32.9943 -11.7226 -62.6475 -6.63249 -28.9233 -7.5482 26.9927 TIMING: 4388000 CPU: 13034.4, 0.00294973/step Wall: 13034.4, 0.00294973/step, 0.501454 hours remaining, 208.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4388000 695.4580 2113.7372 1971.5236 113.7603 -206896.1560 17864.4799 0.0000 0.0000 34173.9676 -149963.2294 298.4498 -184137.1970 -149865.7938 297.3720 12.8665 41.0364 555377.8426 6.5361 6.5446 PRESSURE: 4388200 -67.1632 53.9685 58.9437 53.9675 84.3765 -82.2318 58.9446 -82.2307 300.674 GPRESSURE: 4388200 1.3532 -8.4384 22.104 91.8824 115.088 -121.724 58.6388 -25.3581 294.916 PRESSAVG: 4388200 -11.2539 23.2393 -1.64799 23.2394 62.2173 -8.24554 -1.64802 -8.24551 -35.1053 GPRESSAVG: 4388200 -8.85977 24.5773 -1.09398 23.6521 61.9466 -8.07875 -2.91157 -7.94133 -36.7155 TIMING: 4388200 CPU: 13035, 0.00296236/step Wall: 13035, 0.00296236/step, 0.503436 hours remaining, 208.238281 MB of memory in use. ENERGY: 4388200 713.5578 2052.1172 1942.2975 117.3461 -206840.6853 17864.8253 0.0000 0.0000 34302.0272 -149848.5143 299.5681 -184150.5415 -149754.8472 297.8182 105.9625 137.1191 556154.1813 5.2860 5.4571 LDB: ============= START OF LOAD BALANCING ============== 13038.5 LDB: ============== END OF LOAD BALANCING =============== 13038.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13038.5 LDB: ============= START OF LOAD BALANCING ============== 13038.8 LDB: Largest compute 4809 load 0.021835 is 18.5% of average load 0.118229 LDB: Average compute 0.001733 is 1.5% of average load 0.118229 LDB: TIME 13038.8 LOAD: AVG 0.118229 MAX 0.197982 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.484 MB LDB: TIME 13038.8 LOAD: AVG 0.118229 MAX 0.197982 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.484 MB LDB: TIME 13038.8 LOAD: AVG 0.118229 MAX 0.197982 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.484 MB LDB: ============== END OF LOAD BALANCING =============== 13038.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13038.8 PRESSURE: 4388400 -31.0456 -14.5074 -21.2471 -14.5086 -369.974 -7.07149 -21.2468 -7.07099 -18.1583 GPRESSURE: 4388400 -20.2451 -6.06496 -72.9942 -143.814 -334.127 -65.3912 -30.5883 -11.5026 31.3248 PRESSAVG: 4388400 -4.36898 102.101 58.9286 102.102 6.75347 -31.5171 58.9286 -31.5171 27.3088 GPRESSAVG: 4388400 -4.91013 103.44 62.1845 98.2357 7.65535 -32.5209 57.9971 -30.3082 27.0218 TIMING: 4388400 CPU: 13035.6, 0.00301452/step Wall: 13035.6, 0.00301452/step, 0.512133 hours remaining, 209.277344 MB of memory in use. ENERGY: 4388400 732.1629 2088.8430 1955.4435 114.7572 -206443.3794 17770.3492 0.0000 0.0000 34072.4741 -149709.3496 297.5634 -183781.8237 -149610.2318 297.4826 -139.7258 -107.6826 557138.0248 9.8978 9.9223 PRESSURE: 4388600 -309.941 12.085 -138.331 12.0856 -6.02507 -270.78 -138.332 -270.78 102.729 GPRESSURE: 4388600 -224.218 6.99919 -99.2918 15.0921 54.6698 -253.353 -174.562 -272.679 65.4835 PRESSAVG: 4388600 -55.936 51.3073 -40.993 51.3072 35.6001 17.0127 -40.9929 17.0127 21.8331 GPRESSAVG: 4388600 -57.5392 49.7595 -43.2812 53.6727 36.274 17.9208 -39.4704 15.5185 23.2758 TIMING: 4388600 CPU: 13036.2, 0.00295146/step Wall: 13036.2, 0.00295146/step, 0.501257 hours remaining, 209.277344 MB of memory in use. ENERGY: 4388600 732.3289 2110.4790 1962.7997 114.3305 -206390.1021 17537.1975 0.0000 0.0000 34095.8388 -149837.1276 297.7674 -183932.9664 -149749.4012 297.9951 -71.0787 -34.6883 554384.5956 0.4991 0.6702 PRESSURE: 4388800 -255.319 -17.4442 10.9025 -17.4431 -96.7455 -32.6086 10.9018 -32.6085 -88.1619 GPRESSURE: 4388800 -261.399 -5.7364 66.7197 2.64587 -46.5646 22.5107 38.7033 22.8243 -43.7183 PRESSAVG: 4388800 -11.9777 -2.63541 -15.8596 -2.63543 14.6802 -14.9827 -15.8596 -14.9826 37.6895 GPRESSAVG: 4388800 -10.8657 -0.595483 -15.3667 -0.719457 13.5602 -14.3825 -16.8405 -14.6476 37.4698 TIMING: 4388800 CPU: 13036.8, 0.00293984/step Wall: 13036.8, 0.00293984/step, 0.49912 hours remaining, 209.277344 MB of memory in use. ENERGY: 4388800 756.3958 2071.5018 1960.3753 118.4209 -206396.5861 17661.5892 0.0000 0.0000 34166.6536 -149661.6496 298.3859 -183828.3032 -149562.6381 298.0599 -146.7421 -117.2272 556397.3471 13.4640 13.3881 PRESSURE: 4389000 216.441 7.97369 -122.373 7.97487 9.14069 -83.2949 -122.373 -83.2954 273.179 GPRESSURE: 4389000 243.699 -4.932 -152.11 62.6584 74.4757 -148.927 -99.7672 -74.2026 285.877 PRESSAVG: 4389000 38.8999 -9.35229 4.01717 -9.35229 -66.3748 -37.0522 4.01694 -37.0522 30.6953 GPRESSAVG: 4389000 38.3175 -10.2665 4.63146 -10.8282 -65.607 -40.5051 2.97564 -36.8604 30.6904 TIMING: 4389000 CPU: 13037.4, 0.00294303/step Wall: 13037.4, 0.00294303/step, 0.499497 hours remaining, 209.277344 MB of memory in use. ENERGY: 4389000 732.6589 2036.4125 1919.7862 98.4720 -206895.3412 18218.9240 0.0000 0.0000 34201.2790 -149687.8086 298.6883 -183889.0875 -149591.7682 298.0421 166.2535 201.3505 556898.9508 1.0735 1.1336 PRESSURE: 4389200 -39.5002 92.1295 75.5427 92.1301 -328.555 -139.073 75.5441 -139.073 206.963 GPRESSURE: 4389200 -17.5539 58.8965 42.001 92.7221 -331.615 -94.2026 53.9292 -91.705 282.104 PRESSAVG: 4389200 0.222454 -6.00484 38.2304 -6.00491 39.8597 -26.8543 38.2304 -26.8545 -9.01009 GPRESSAVG: 4389200 -0.154181 -6.43852 38.881 -5.26388 39.9024 -25.1134 40.2607 -27.4037 -8.65397 TIMING: 4389200 CPU: 13037.9, 0.00291752/step Wall: 13037.9, 0.00291752/step, 0.495005 hours remaining, 209.277344 MB of memory in use. ENERGY: 4389200 743.1744 2025.5219 1948.3621 123.8601 -206178.0904 17719.4073 0.0000 0.0000 33932.9202 -149684.8443 296.3446 -183617.7645 -149586.4929 298.0101 -53.6973 -22.3548 556536.3277 10.3574 10.3648 PRESSURE: 4389400 -133.124 -15.8983 37.8089 -15.8982 -138.707 -197.131 37.8074 -197.13 -178.409 GPRESSURE: 4389400 -171.343 -64.5939 150.925 78.6726 -36.6243 -177.708 -46.2588 -206.542 -148.363 PRESSAVG: 4389400 -42.5967 12.2402 11.881 12.2402 40.3138 -49.3012 11.881 -49.3012 -15.9322 GPRESSAVG: 4389400 -42.58 10.3774 10.5383 12.5027 39.8557 -49.4941 10.5982 -46.8942 -15.8966 TIMING: 4389400 CPU: 13038.5, 0.00291253/step Wall: 13038.5, 0.00291253/step, 0.493997 hours remaining, 209.277344 MB of memory in use. ENERGY: 4389400 706.8868 2069.1950 1938.7866 122.6902 -205932.7093 17505.9329 0.0000 0.0000 34130.7259 -149458.4921 298.0721 -183589.2180 -149368.0597 298.5752 -150.0799 -118.7770 557359.9334 -6.0717 -6.2070 PRESSURE: 4389600 266.204 -53.5157 -67.3135 -53.5161 97.3937 -108.584 -67.313 -108.583 -265.013 GPRESSURE: 4389600 280.935 39.399 -65.0856 -29.2277 106.56 -178.006 -86.3131 -29.8803 -201.008 PRESSAVG: 4389600 20.8258 53.5863 -3.87648 53.5862 -26.2785 -5.19535 -3.87644 -5.1954 3.25811 GPRESSAVG: 4389600 21.489 55.3881 -3.37324 52.5993 -27.0783 -3.30757 -2.8868 -5.4838 3.22254 TIMING: 4389600 CPU: 13039.1, 0.00292129/step Wall: 13039.1, 0.00292129/step, 0.495321 hours remaining, 209.277344 MB of memory in use. ENERGY: 4389600 725.5226 2133.0689 1907.0586 121.6658 -206566.6114 17948.2317 0.0000 0.0000 34416.4929 -149314.5708 300.5678 -183731.0637 -149225.3448 298.9393 32.8614 62.1623 556933.0623 -0.7315 -0.7889 PRESSURE: 4389800 81.0077 61.62 35.0942 61.6199 56.1003 100.544 35.0964 100.543 -56.429 GPRESSURE: 4389800 65.7952 53.1779 -39.6603 32.3092 131.599 40.0538 19.9167 103.826 -23.4121 PRESSAVG: 4389800 23.2702 73.788 30.4869 73.788 -21.1479 -13.1125 30.4869 -13.1125 9.41342 GPRESSAVG: 4389800 23.0106 73.243 29.6544 75.1406 -20.5062 -13.696 29.7726 -14.5808 9.29779 TIMING: 4389800 CPU: 13039.7, 0.00292023/step Wall: 13039.7, 0.00292023/step, 0.494979 hours remaining, 209.277344 MB of memory in use. ENERGY: 4389800 726.5722 2065.3030 1933.6172 137.2600 -206301.3912 17975.0209 0.0000 0.0000 34235.6814 -149227.9365 298.9887 -183463.6180 -149129.5403 298.7423 26.8930 57.9941 557221.8337 3.8453 3.9341 PRESSURE: 4390000 30.5368 87.7445 98.1095 87.7447 210.04 10.0821 98.1087 10.0807 146.684 GPRESSURE: 4390000 82.4275 75.9002 61.1748 78.5632 224.05 -10.6694 105.376 66.7164 173.669 PRESSAVG: 4390000 -24.8647 57.5173 -3.42927 57.5172 57.6001 18.1919 -3.42914 18.1919 3.85891 GPRESSAVG: 4390000 -24.5035 59.0426 -3.94569 55.6813 58.3714 18.2859 -3.27346 19.0521 3.03879 TIMING: 4390000 CPU: 13040.3, 0.00294706/step Wall: 13040.3, 0.00294706/step, 0.499363 hours remaining, 209.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4390000 728.6409 2068.3121 1946.5176 119.8339 -206282.2990 17760.1489 0.0000 0.0000 34294.4818 -149364.3638 299.5022 -183658.8455 -149265.6806 298.2946 129.0870 160.0488 555329.6101 12.1981 12.3022 PRESSURE: 4390200 -266.371 77.076 -164.578 77.0761 38.9506 -17.8263 -164.579 -17.8262 75.7167 GPRESSURE: 4390200 -179.238 120.766 -113.441 89.3488 64.2696 -71.3235 -30.4255 -114.663 55.5412 PRESSAVG: 4390200 -68.2689 18.0937 19.027 18.0937 12.6322 -28.989 19.0272 -28.989 56.7702 GPRESSAVG: 4390200 -67.6673 18.6154 21.3548 17.6948 11.2893 -29.3916 18.7277 -28.977 57.2304 TIMING: 4390200 CPU: 13040.9, 0.0029374/step Wall: 13040.9, 0.0029374/step, 0.497562 hours remaining, 209.277344 MB of memory in use. ENERGY: 4390200 801.5268 2024.4847 1934.0066 116.8047 -205986.9480 17609.8097 0.0000 0.0000 34055.1012 -149445.2144 297.4117 -183500.3155 -149349.6543 298.7813 -50.5678 -19.8090 556983.7466 0.3778 0.2841 PRESSURE: 4390400 -179.672 -159.814 22.4118 -159.813 -136.381 59.4747 22.4114 59.4753 -150.945 GPRESSURE: 4390400 -174.461 -143.121 12.6462 -141.285 -129.907 152.854 26.9025 23.5285 -81.614 PRESSAVG: 4390400 -53.3703 9.73169 28.3132 9.73168 57.0704 29.3106 28.3133 29.3106 24.9625 GPRESSAVG: 4390400 -54.9837 9.69018 27.0894 10.6843 57.7005 27.8095 27.4248 30.9798 25.8147 TIMING: 4390400 CPU: 13041.5, 0.00293926/step Wall: 13041.5, 0.00293926/step, 0.497714 hours remaining, 209.277344 MB of memory in use. ENERGY: 4390400 739.3757 2045.0778 1934.3245 110.9265 -205842.4812 17539.5980 0.0000 0.0000 34034.5775 -149438.6011 297.2324 -183473.1786 -149344.9819 299.1080 -155.6660 -128.6606 558463.9395 9.5542 9.5105 PRESSURE: 4390600 9.34946 53.0509 151.956 53.05 31.871 53.757 151.956 53.7568 144.014 GPRESSURE: 4390600 46.5247 134.234 155.397 142.958 118.161 53.9862 198.229 70.6966 114.363 PRESSAVG: 4390600 12.5588 9.32333 53.5135 9.32329 -60.3888 -10.2829 53.5135 -10.2828 -13.3578 GPRESSAVG: 4390600 14.1321 7.60649 51.7636 10.5957 -59.9419 -10.3156 55.4846 -10.7531 -15.3079 TIMING: 4390600 CPU: 13042, 0.00293446/step Wall: 13042, 0.00293446/step, 0.49674 hours remaining, 209.277344 MB of memory in use. ENERGY: 4390600 730.9697 2084.1157 1936.5277 108.3866 -206305.1314 18071.9250 0.0000 0.0000 34135.4278 -149237.7789 298.1132 -183373.2068 -149141.9156 298.1329 61.7448 93.0161 556309.5237 -20.3959 -20.3726 PRESSURE: 4390800 -193.182 23.1997 71.031 23.2014 -51.98 80.4148 71.0311 80.4174 -248.157 GPRESSURE: 4390800 -175.427 -28.9997 39.3576 62.0002 -57.0815 136.468 27.7194 104.311 -155.076 PRESSAVG: 4390800 55.8123 -30.2475 49.2658 -30.2476 -56.0602 4.22417 49.2659 4.2243 -62.3369 GPRESSAVG: 4390800 55.4715 -29.8547 50.2877 -31.6952 -56.8557 5.56816 49.0362 0.580803 -60.4323 TIMING: 4390800 CPU: 13042.6, 0.00291572/step Wall: 13042.6, 0.00291572/step, 0.493405 hours remaining, 209.277344 MB of memory in use. ENERGY: 4390800 762.1898 2074.9576 1948.7850 116.5917 -205990.1216 17663.9747 0.0000 0.0000 34111.1679 -149312.4548 297.9013 -183423.6227 -149222.5119 299.1330 -164.4396 -129.1950 557103.3133 -20.8616 -20.6055 PRESSURE: 4391000 -42.922 -59.8214 234.522 -59.8219 -117.575 51.8249 234.522 51.8278 -90.0291 GPRESSURE: 4391000 -26.5654 -87.0487 189.571 52.8639 -87.324 56.624 252.946 76.178 -34.8873 PRESSAVG: 4391000 53.0387 -20.9738 81.1413 -20.9737 -1.50475 8.40436 81.1414 8.40442 -20.0461 GPRESSAVG: 4391000 53.495 -21.4849 80.1065 -21.3229 -1.05877 7.29121 80.4234 10.287 -20.963 TIMING: 4391000 CPU: 13043.2, 0.00293066/step Wall: 13043.2, 0.00293066/step, 0.49577 hours remaining, 209.277344 MB of memory in use. ENERGY: 4391000 745.6668 2034.5313 1943.7684 122.5352 -206075.1643 17723.4312 0.0000 0.0000 34323.1138 -149182.1176 299.7523 -183505.2313 -149088.8308 299.6962 -83.5088 -49.5922 556699.2517 10.4959 10.4911 PRESSURE: 4391200 28.649 169.863 -74.7224 169.864 -189.799 -15.4546 -74.7216 -15.4551 80.6567 GPRESSURE: 4391200 77.6489 129.887 -129.278 139.018 -147.648 -108.562 -111.699 142.768 83.9363 PRESSAVG: 4391200 81.4595 -6.18709 10.0357 -6.18703 -31.5652 11.4912 10.0357 11.4911 -32.3994 GPRESSAVG: 4391200 80.4998 -6.04821 11.5303 -5.16457 -31.3435 14.3817 7.08477 11.1516 -30.9877 TIMING: 4391200 CPU: 13043.8, 0.002908/step Wall: 13043.8, 0.002908/step, 0.491775 hours remaining, 209.277344 MB of memory in use. ENERGY: 4391200 749.7683 2051.3777 1938.7147 106.0964 -206229.8224 17836.8213 0.0000 0.0000 34183.6107 -149363.4332 298.5340 -183547.0439 -149267.1147 298.8720 -26.8310 4.6459 557248.5453 5.8316 6.0562 PRESSURE: 4391400 223.295 72.8875 46.9664 72.887 7.43729 2.01461 46.9676 2.01394 91.8134 GPRESSURE: 4391400 311.571 78.4485 41.6991 25.0941 18.9938 -24.5758 19.4386 -29.7082 96.4124 PRESSAVG: 4391400 34.9155 30.8638 13.8262 30.8638 -18.2759 -9.06549 13.8263 -9.06553 -9.25333 GPRESSAVG: 4391400 35.852 32.5399 11.8996 29.5361 -18.3039 -9.62974 16.6975 -9.00188 -10.1102 TIMING: 4391400 CPU: 13044.4, 0.00292364/step Wall: 13044.4, 0.00292364/step, 0.494257 hours remaining, 209.277344 MB of memory in use. ENERGY: 4391400 723.8769 2091.8595 1940.6878 124.2946 -206313.6904 17912.9615 0.0000 0.0000 34249.0495 -149270.9605 299.1055 -183520.0100 -149174.7241 298.9006 107.5153 142.3256 557077.1050 2.4621 2.4793 PRESSURE: 4391600 -13.022 -4.68322 -58.468 -4.68343 59.7133 -73.4099 -58.4687 -73.4111 161.799 GPRESSURE: 4391600 51.9985 16.1092 -47.7585 -31.5993 72.58 -51.4087 -10.842 -38.5115 189.105 PRESSAVG: 4391600 -25.5711 10.0017 7.91368 10.0018 33.6025 19.0272 7.91372 19.0272 -0.473342 GPRESSAVG: 4391600 -25.628 8.66245 6.097 10.5533 33.7723 18.2009 8.2953 18.3077 -0.346388 TIMING: 4391600 CPU: 13045, 0.00291317/step Wall: 13045, 0.00291317/step, 0.492325 hours remaining, 209.277344 MB of memory in use. ENERGY: 4391600 734.7559 2066.8691 1942.6935 109.2783 -206234.7996 17937.2405 0.0000 0.0000 34278.5987 -149165.3636 299.3635 -183443.9623 -149065.5310 299.4199 69.4967 104.5612 558350.5744 2.5193 2.5993 PRESSURE: 4391800 -44.1884 149.057 103.834 149.058 21.9304 -89.3152 103.834 -89.3166 -248.31 GPRESSURE: 4391800 -17.5984 85.7439 -4.81888 140.075 15.9808 -120.208 156.521 -200.239 -180.616 PRESSAVG: 4391800 -60.2766 -36.078 4.81355 -36.078 11.1786 -17.4001 4.81348 -17.4001 8.8423 GPRESSAVG: 4391800 -60.1296 -36.8138 5.52159 -34.5919 11.0523 -15.9958 5.23941 -17.5127 8.21155 TIMING: 4391800 CPU: 13045.5, 0.00291696/step Wall: 13045.5, 0.00291696/step, 0.492803 hours remaining, 209.277344 MB of memory in use. ENERGY: 4391800 740.2029 2114.9284 1938.5939 106.9957 -206015.8067 17800.8743 0.0000 0.0000 34363.8210 -148950.3905 300.1078 -183314.2115 -148851.5713 299.3077 -90.1892 -60.7445 559239.0393 -13.4186 -13.6219 PRESSURE: 4392000 -421.479 253.837 -36.6414 253.837 -70.9245 -22.8987 -36.6416 -22.8991 -597.262 GPRESSURE: 4392000 -362.072 149.809 -23.6283 263.204 -62.3024 -37.081 -55.1701 -19.1301 -554.863 PRESSAVG: 4392000 6.54505 42.3787 -31.0309 42.3787 4.95748 -9.87199 -31.031 -9.87206 3.28886 GPRESSAVG: 4392000 6.12913 42.0898 -27.0264 41.0343 4.65466 -13.3136 -35.2505 -7.70779 4.6159 TIMING: 4392000 CPU: 13046.1, 0.00291709/step Wall: 13046.1, 0.00291709/step, 0.492663 hours remaining, 209.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4392000 768.5967 2074.5376 1953.9780 102.7299 -205412.4880 17344.7883 0.0000 0.0000 34207.3941 -148960.4634 298.7417 -183167.8575 -148870.7479 299.9150 -363.2218 -326.4123 559658.3768 4.9305 5.1332 PRESSURE: 4392200 -115.37 168.864 3.0541 168.864 -12.5853 -67.7769 3.05301 -67.7762 -317.848 GPRESSURE: 4392200 -83.7887 166.132 -6.49115 171.571 24.1498 -12.9331 40.9988 -66.819 -294.175 PRESSAVG: 4392200 24.9987 32.3347 22.2392 32.3347 37.5638 45.1284 22.2392 45.1283 -53.5913 GPRESSAVG: 4392200 24.6317 34.0458 17.5153 33.0866 37.8155 47.5435 28.2171 44.6383 -54.2283 TIMING: 4392200 CPU: 13046.7, 0.00291239/step Wall: 13046.7, 0.00291239/step, 0.491708 hours remaining, 209.277344 MB of memory in use. ENERGY: 4392200 742.9416 2117.2730 1916.4089 114.0250 -205764.0566 17558.8972 0.0000 0.0000 34414.8170 -148899.6939 300.5532 -183314.5108 -148808.6670 300.0676 -148.6013 -117.9381 559453.3101 2.9904 2.7396 LDB: ============= START OF LOAD BALANCING ============== 13050.3 LDB: ============== END OF LOAD BALANCING =============== 13050.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13050.3 LDB: ============= START OF LOAD BALANCING ============== 13050.5 LDB: Largest compute 4801 load 0.020902 is 17.7% of average load 0.118220 LDB: Average compute 0.001737 is 1.5% of average load 0.118220 LDB: TIME 13050.5 LOAD: AVG 0.11822 MAX 0.195534 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.82 MB LDB: TIME 13050.5 LOAD: AVG 0.11822 MAX 0.195534 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.82 MB LDB: TIME 13050.5 LOAD: AVG 0.11822 MAX 0.195534 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.82 MB LDB: ============== END OF LOAD BALANCING =============== 13050.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13050.6 PRESSURE: 4392400 -159.061 94.3424 96.0137 94.3415 -173.57 -69.7525 96.0129 -69.7539 37.4945 GPRESSURE: 4392400 -127.543 97.1896 22.5735 50.3579 -132.976 25.5554 158.465 -170.126 61.2318 PRESSAVG: 4392400 39.8917 23.5616 -3.50301 23.5615 12.2096 37.7255 -3.50302 37.7254 36.7019 GPRESSAVG: 4392400 39.796 22.8692 0.128735 24.1378 12.535 35.6757 -7.56749 38.9778 36.7041 TIMING: 4392400 CPU: 13047.3, 0.00296385/step Wall: 13047.3, 0.00296385/step, 0.500233 hours remaining, 207.894531 MB of memory in use. ENERGY: 4392400 727.2167 2038.3718 1980.7043 114.2905 -205693.5063 17636.8364 0.0000 0.0000 34170.5604 -149025.5263 298.4200 -183196.0867 -148932.0561 299.2413 -98.3789 -66.4289 558731.9248 29.6011 29.6784 PRESSURE: 4392600 38.5223 -123.997 54.0646 -123.996 11.1711 -14.0542 54.064 -14.0539 74.7884 GPRESSURE: 4392600 47.11 -98.3878 11.6362 -167.415 -0.422079 -48.6986 50.528 36.8475 167.967 PRESSAVG: 4392600 96.6399 4.43609 -1.64726 4.43602 -86.2747 10.7257 -1.64726 10.7257 -22.4815 GPRESSAVG: 4392600 97.1194 4.86032 -0.774208 3.50155 -85.5493 11.7499 -1.24086 9.87881 -23.2394 TIMING: 4392600 CPU: 13047.9, 0.00293345/step Wall: 13047.9, 0.00293345/step, 0.494938 hours remaining, 207.894531 MB of memory in use. ENERGY: 4392600 722.1616 2050.6371 1954.1225 113.2871 -205962.6872 17823.9431 0.0000 0.0000 34221.0247 -149077.5112 298.8607 -183298.5358 -148977.2864 299.4355 41.4939 71.5518 557664.5918 -4.0388 -3.8898 PRESSURE: 4392800 -214.685 43.1969 105.421 43.1965 27.5702 61.9073 105.42 61.9075 -59.959 GPRESSURE: 4392800 -166.858 82.3814 173.892 55.6248 78.4896 47.3158 114.27 82.5455 -57.6772 PRESSAVG: 4392800 17.597 -41.6542 40.6806 -41.6541 -29.2511 14.9724 40.6806 14.9723 24.5283 GPRESSAVG: 4392800 17.4643 -40.5947 38.1757 -42.7269 -30.4102 12.9551 42.2321 16.676 25.7259 TIMING: 4392800 CPU: 13048.5, 0.00293533/step Wall: 13048.5, 0.00293533/step, 0.495093 hours remaining, 207.894531 MB of memory in use. ENERGY: 4392800 714.9625 2065.9022 1936.8034 115.6547 -206029.7008 17708.7233 0.0000 0.0000 34454.6711 -149032.9836 300.9012 -183487.6547 -148933.1651 299.6060 -82.3581 -48.6817 558568.6544 4.2914 4.2600 PRESSURE: 4393000 -119.893 -257.661 -62.3068 -257.662 -160.808 -54.1762 -62.3072 -54.177 -125.917 GPRESSURE: 4393000 -94.8222 -291.054 -114.832 -320.774 -157.074 -79.5121 -41.9944 13.6843 -44.3783 PRESSAVG: 4393000 -12.0224 -12.9997 40.6823 -12.9996 9.97091 -8.38869 40.6822 -8.3886 26.1197 GPRESSAVG: 4393000 -12.4083 -14.6063 43.9173 -12.5346 10.2348 -6.97739 38.7843 -8.3017 26.447 TIMING: 4393000 CPU: 13049.1, 0.00293457/step Wall: 13049.1, 0.00293457/step, 0.494801 hours remaining, 207.894531 MB of memory in use. ENERGY: 4393000 755.8342 2129.4638 1921.4664 124.4398 -205856.6906 17608.3305 0.0000 0.0000 34455.3217 -148861.8342 300.9069 -183317.1559 -148771.9916 300.1459 -135.5395 -98.7582 558304.1169 8.0227 8.0911 PRESSURE: 4393200 224.166 -44.9376 64.2887 -44.9368 47.7383 -33.9525 64.2894 -33.9523 -8.96191 GPRESSURE: 4393200 229.82 5.82802 12.6291 -10.4099 105.961 -18.9273 39.1597 -15.6692 29.9366 PRESSAVG: 4393200 -66.3587 -19.105 -26.5251 -19.1049 50.9846 -7.28441 -26.5252 -7.28444 31.8893 GPRESSAVG: 4393200 -65.5901 -18.4072 -28.7218 -18.8211 51.2408 -7.27723 -24.4138 -7.47828 30.9031 TIMING: 4393200 CPU: 13049.7, 0.002927/step Wall: 13049.7, 0.002927/step, 0.493361 hours remaining, 207.894531 MB of memory in use. ENERGY: 4393200 708.7158 2160.4714 1940.5708 118.9231 -205987.8271 17712.9172 0.0000 0.0000 34472.6015 -148873.6273 301.0578 -183346.2288 -148780.7110 300.6944 87.6474 121.9058 557382.4645 5.5050 5.5179 PRESSURE: 4393400 -128.784 95.4346 17.291 95.4349 4.09525 -19.244 17.2919 -19.2443 -284.92 GPRESSURE: 4393400 -100.637 15.3451 100.799 43.5624 27.2832 -55.4732 1.57413 6.04985 -244.877 PRESSAVG: 4393400 -72.1158 -27.3616 20.4128 -27.3616 67.7255 -7.86463 20.4128 -7.86458 44.6379 GPRESSAVG: 4393400 -70.9958 -28.7301 20.5566 -28.4574 67.4187 -6.39713 18.9714 -9.25483 43.9464 TIMING: 4393400 CPU: 13050.2, 0.00292013/step Wall: 13050.2, 0.00292013/step, 0.492042 hours remaining, 207.894531 MB of memory in use. ENERGY: 4393400 766.0475 2109.8768 1931.1589 118.9255 -205426.1888 17387.6580 0.0000 0.0000 34356.9174 -148755.6046 300.0475 -183112.5220 -148660.5268 300.3835 -136.5361 -106.0767 560173.3260 13.4159 13.4564 PRESSURE: 4393600 -129.189 46.8535 41.9393 46.8531 27.9061 -56.9775 41.9394 -56.9771 29.7057 GPRESSURE: 4393600 -54.0533 31.7862 39.4393 44.7227 -23.0995 -6.30271 8.58284 -80.5213 104.43 PRESSAVG: 4393600 6.5539 51.3385 -6.81145 51.3385 -28.6209 -33.7033 -6.81145 -33.7033 6.83844 GPRESSAVG: 4393600 6.04055 51.3997 -8.05209 51.1085 -27.6431 -32.8657 -6.80721 -32.7048 7.37984 TIMING: 4393600 CPU: 13050.8, 0.00291616/step Wall: 13050.8, 0.00291616/step, 0.491211 hours remaining, 207.894531 MB of memory in use. ENERGY: 4393600 764.7827 2090.0590 1926.0148 108.5607 -206069.9387 17807.4444 0.0000 0.0000 34438.3871 -148934.6899 300.7590 -183373.0771 -148837.8299 300.8924 -23.8590 9.0923 556860.4851 -5.0762 -4.7409 PRESSURE: 4393800 -250.243 168.836 85.2803 168.836 -147.602 -93.0836 85.2808 -93.0839 -104.651 GPRESSURE: 4393800 -201.432 199.297 17.0244 120.343 -142.936 -92.5546 73.6166 -43.4628 -71.8563 PRESSAVG: 4393800 37.4256 5.12306 11.8689 5.12301 -6.16125 -43.5771 11.8688 -43.5773 -27.4289 GPRESSAVG: 4393800 36.9927 6.51189 11.4216 6.79988 -5.56 -44.7162 14.7102 -42.8363 -27.4043 TIMING: 4393800 CPU: 13051.4, 0.00294545/step Wall: 13051.4, 0.00294545/step, 0.495982 hours remaining, 207.894531 MB of memory in use. ENERGY: 4393800 743.7493 2058.9844 1939.0394 114.3574 -205945.3242 17628.1482 0.0000 0.0000 34430.3887 -149030.6569 300.6891 -183461.0455 -148930.4375 299.5899 -167.4985 -138.7416 558415.6728 1.2785 1.3428 PRESSURE: 4394000 -41.78 143.531 133.594 143.53 39.3606 67.9818 133.595 67.9822 -210.008 GPRESSURE: 4394000 36.9757 157.635 249.294 158.717 3.90104 113.776 105.689 41.8068 -164.953 PRESSAVG: 4394000 -66.5721 14.2603 30.7247 14.2603 45.8194 -8.82142 30.7246 -8.82146 19.2757 GPRESSAVG: 4394000 -67.5594 16.1546 31.224 11.9333 47.0674 -8.32432 30.0294 -11.202 19.226 TIMING: 4394000 CPU: 13052, 0.00295653/step Wall: 13052, 0.00295653/step, 0.497683 hours remaining, 207.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4394000 790.3332 2064.4261 1953.1938 108.3975 -206062.5749 17769.9557 0.0000 0.0000 34315.5565 -149060.7119 299.6863 -183376.2685 -148975.9046 300.0498 -70.8091 -41.3589 558263.4267 -0.4923 -0.4220 PRESSURE: 4394200 92.5823 137.031 -121.572 137.03 124.661 37.5251 -121.571 37.5241 93.452 GPRESSURE: 4394200 149.035 87.9721 -136.886 205.525 170.95 23.3449 -107.585 1.95281 84.3623 PRESSAVG: 4394200 15.9238 3.17075 -21.0132 3.17075 11.9998 -18.1251 -21.0132 -18.125 0.701673 GPRESSAVG: 4394200 16.3265 0.083216 -20.1967 5.66409 11.6001 -17.7948 -22.3383 -17.6616 0.812426 TIMING: 4394200 CPU: 13052.6, 0.00294254/step Wall: 13052.6, 0.00294254/step, 0.495165 hours remaining, 207.894531 MB of memory in use. ENERGY: 4394200 735.2144 2090.7280 1946.4010 107.0821 -206311.1917 17849.9763 0.0000 0.0000 34367.7938 -149213.9961 300.1425 -183581.7899 -149109.8244 299.7123 103.5651 134.7824 556565.5785 9.5418 9.5797 PRESSURE: 4394400 158.346 -38.2387 41.9788 -38.2381 -129.46 -105.883 41.9783 -105.882 -73.9069 GPRESSURE: 4394400 170.393 -71.9815 -2.64805 -12.4057 -72.9868 -131.225 59.7807 -135.413 -64.0228 PRESSAVG: 4394400 10.1734 6.39629 -28.7471 6.39634 -7.99954 45.9847 -28.747 45.9847 32.6325 GPRESSAVG: 4394400 10.2608 9.06858 -28.8505 4.58983 -8.07237 44.1493 -27.7968 46.4553 32.7013 TIMING: 4394400 CPU: 13053.2, 0.00295155/step Wall: 13053.2, 0.00295155/step, 0.496516 hours remaining, 207.894531 MB of memory in use. ENERGY: 4394400 747.6280 2073.8272 1961.2650 118.4873 -206509.3990 17844.0772 0.0000 0.0000 34551.1519 -149212.9625 301.7438 -183764.1144 -149115.2588 300.1872 -15.0070 11.1280 558265.6564 11.6021 11.6299 PRESSURE: 4394600 -5.96004 -83.7945 -154.716 -83.793 48.831 20.4857 -154.716 20.4863 -44.0039 GPRESSURE: 4394600 -25.6884 -125.652 -148.078 -84.325 116.752 -49.9381 -164.589 135.54 17.4273 PRESSAVG: 4394600 43.4502 -5.16162 -32.7525 -5.16156 -28.7022 -82.0122 -32.7525 -82.0122 -18.808 GPRESSAVG: 4394600 43.412 -6.85804 -32.7369 -3.30463 -28.3609 -79.788 -32.1413 -83.1727 -18.7766 TIMING: 4394600 CPU: 13053.8, 0.00293581/step Wall: 13053.8, 0.00293581/step, 0.493705 hours remaining, 207.894531 MB of memory in use. ENERGY: 4394600 749.8501 2077.4436 1967.3099 112.2370 -206309.7265 17820.0714 0.0000 0.0000 34259.9529 -149322.8618 299.2007 -183582.8147 -149229.1725 300.2736 -0.3776 36.1636 557454.7630 -1.3534 -1.2418 PRESSURE: 4394800 89.4433 331.132 126.536 331.131 44.4678 61.1523 126.537 61.1517 256.356 GPRESSURE: 4394800 122.851 326.711 70.2708 290.999 57.4779 53.5899 137.272 -8.81826 310.281 PRESSAVG: 4394800 -7.57885 -17.925 -39.6295 -17.9249 -30.0819 -32.9451 -39.6294 -32.9451 18.2329 GPRESSAVG: 4394800 -6.42692 -18.0172 -39.5947 -18.4445 -31.3039 -32.0891 -40.2302 -32.8404 18.3669 TIMING: 4394800 CPU: 13054.4, 0.00293008/step Wall: 13054.4, 0.00293008/step, 0.492579 hours remaining, 207.894531 MB of memory in use. ENERGY: 4394800 727.0838 2054.8606 1943.9629 111.6946 -206425.2954 18034.1925 0.0000 0.0000 34227.2303 -149326.2709 298.9149 -183553.5012 -149233.3417 298.2313 130.0889 163.5365 557305.5116 -6.4759 -6.4546 PRESSURE: 4395000 125.197 40.8261 62.0466 40.8253 -220.278 -56.7576 62.0464 -56.7562 -133.375 GPRESSURE: 4395000 123.38 45.4006 48.1272 34.9407 -147.822 -54.5178 21.587 -30.3492 -94.867 PRESSAVG: 4395000 62.7595 74.5561 52.844 74.5561 21.894 -25.6662 52.8439 -25.6662 -81.2353 GPRESSAVG: 4395000 61.4058 75.868 51.9199 74.1326 23.3848 -28.5379 53.4476 -24.1012 -81.4123 TIMING: 4395000 CPU: 13054.9, 0.00295087/step Wall: 13054.9, 0.00295087/step, 0.49591 hours remaining, 207.894531 MB of memory in use. ENERGY: 4395000 760.8181 2050.8552 1947.5387 103.8726 -206106.2125 17560.3886 0.0000 0.0000 34406.4686 -149276.2706 300.4802 -183682.7393 -149178.4314 298.6675 -76.1521 -39.7695 557145.2730 1.1394 1.1261 PRESSURE: 4395200 -16.5564 -1.29744 -100.77 -1.29785 312.145 163.998 -100.771 163.997 187.417 GPRESSURE: 4395200 -13.7153 -39.1947 -174.153 7.32986 355.803 126.532 -84.84 186.469 234.16 PRESSAVG: 4395200 69.2693 20.212 -9.91302 20.2121 -19.4794 -17.4013 -9.91301 -17.4013 -38.1854 GPRESSAVG: 4395200 69.3817 20.6895 -9.31678 18.5214 -19.965 -17.4766 -10.7153 -17.7603 -37.5735 TIMING: 4395200 CPU: 13055.5, 0.00295186/step Wall: 13055.5, 0.00295186/step, 0.495912 hours remaining, 207.894531 MB of memory in use. ENERGY: 4395200 718.5230 2097.1724 1945.1973 105.9552 -206364.8772 18065.1393 0.0000 0.0000 34176.4364 -149256.4537 298.4713 -183432.8900 -149161.2754 299.2369 161.0018 192.0828 558097.2016 3.8682 3.9477 PRESSURE: 4395400 244.468 -85.8253 -2.7944 -85.8265 -172.494 23.7299 -2.79369 23.7294 281.341 GPRESSURE: 4395400 277.971 40.5229 58.4552 -100.525 -140.698 -58.3842 3.51879 16.0056 308.847 PRESSAVG: 4395400 35.4349 23.1452 -41.1366 23.1452 1.86744 27.391 -41.1365 27.391 -29.6244 GPRESSAVG: 4395400 36.5966 23.1809 -39.8137 24.5912 2.31834 28.6352 -41.9349 27.9262 -31.1205 TIMING: 4395400 CPU: 13056.1, 0.00294561/step Wall: 13056.1, 0.00294562/step, 0.4947 hours remaining, 207.894531 MB of memory in use. ENERGY: 4395400 687.2938 2130.9494 1952.0389 111.3159 -206547.0710 18047.6821 0.0000 0.0000 34268.1415 -149349.6494 299.2722 -183617.7909 -149260.9967 299.0233 117.7715 148.7070 558711.9838 2.5593 2.5981 PRESSURE: 4395600 150.69 43.5712 14.0988 43.5698 244.299 44.2424 14.1003 44.2428 31.9904 GPRESSURE: 4395600 127.227 55.5251 75.3053 107.924 295.342 31.6452 -23.1081 62.5393 95.6671 PRESSAVG: 4395600 53.0082 -5.2418 -20.8879 -5.24173 -59.6368 -12.8865 -20.8877 -12.8865 7.10141 GPRESSAVG: 4395600 52.454 -4.59981 -22.1963 -5.44643 -59.5375 -13.4271 -21.0801 -14.2076 7.50474 TIMING: 4395600 CPU: 13056.7, 0.0029791/step Wall: 13056.7, 0.0029791/step, 0.500158 hours remaining, 207.894531 MB of memory in use. ENERGY: 4395600 753.9448 2081.4932 1940.6078 106.0851 -206540.9628 18146.2892 0.0000 0.0000 34231.2361 -149281.3066 298.9499 -183512.5427 -149180.8811 298.8889 142.3265 172.7454 557633.1510 0.1576 0.1404 PRESSURE: 4395800 -148.008 -43.8484 15.7024 -43.8491 -132.988 -75.4442 15.7037 -75.4437 -76.1572 GPRESSURE: 4395800 -85.172 -53.3716 -46.3496 -46.4475 -130.995 -91.43 60.9231 -54.4516 -40.8829 PRESSAVG: 4395800 -33.8736 25.3538 40.7156 25.3538 -1.26005 -16.713 40.7157 -16.7129 15.7418 GPRESSAVG: 4395800 -33.5907 22.9564 40.3974 24.7799 -2.5021 -15.6779 42.3422 -17.2517 16.8843 TIMING: 4395800 CPU: 13057.3, 0.00297203/step Wall: 13057.3, 0.00297203/step, 0.498806 hours remaining, 207.894531 MB of memory in use. ENERGY: 4395800 776.2809 2107.4111 1961.8037 107.8911 -205740.1772 17516.9810 0.0000 0.0000 34028.6307 -149241.1787 297.1805 -183269.8094 -149141.5476 298.5735 -119.0509 -85.6834 558506.5145 -6.4640 -6.4028 PRESSURE: 4396000 -153.03 -38.7269 18.1296 -38.7274 -19.7664 -47.9101 18.1286 -47.9092 -137.879 GPRESSURE: 4396000 -30.3012 -17.4558 20.9537 7.5053 -47.989 -48.1755 -49.0123 -79.3558 -130.516 PRESSAVG: 4396000 -21.5587 19.8906 -8.29332 19.8906 41.4425 -1.51557 -8.29327 -1.51557 -24.9576 GPRESSAVG: 4396000 -20.9518 21.6125 -6.94166 22.0834 42.1575 -1.29311 -9.96621 -1.1595 -26.6492 TIMING: 4396000 CPU: 13057.9, 0.0029495/step Wall: 13057.9, 0.0029495/step, 0.49486 hours remaining, 207.894531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4396000 762.7725 2126.2376 1973.9802 120.7645 -206339.8908 17814.1755 0.0000 0.0000 34165.9333 -149376.0273 298.3796 -183541.9605 -149282.7122 298.6926 -103.5584 -69.6021 558082.8732 -1.6913 -1.8145 PRESSURE: 4396200 -340.057 71.9731 58.4318 71.9723 -379.505 12.5661 58.4317 12.5657 -43.406 GPRESSURE: 4396200 -317.074 78.9603 106.375 31.3245 -342.557 40.0332 0.605703 -0.871074 -13.3192 PRESSAVG: 4396200 8.979 40.7367 48.0436 40.7367 12.9201 -35.6327 48.0436 -35.6327 7.48025 GPRESSAVG: 4396200 8.04558 43.0474 48.3481 40.1899 13.7031 -38.0893 47.7242 -33.9371 7.5812 TIMING: 4396200 CPU: 13058.5, 0.00297134/step Wall: 13058.5, 0.00297134/step, 0.498359 hours remaining, 207.894531 MB of memory in use. ENERGY: 4396200 783.4038 2148.0386 1937.9244 104.9786 -206094.0128 17542.1773 0.0000 0.0000 34293.7488 -149283.7413 299.4958 -183577.4901 -149183.3337 299.6134 -254.3225 -224.3167 557986.0609 9.7931 9.7766 LDB: ============= START OF LOAD BALANCING ============== 13062 LDB: ============== END OF LOAD BALANCING =============== 13062 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13062 LDB: ============= START OF LOAD BALANCING ============== 13062.3 LDB: Largest compute 4809 load 0.022366 is 18.9% of average load 0.118267 LDB: Average compute 0.001745 is 1.5% of average load 0.118267 LDB: TIME 13062.3 LOAD: AVG 0.118267 MAX 0.19857 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.031 MB LDB: TIME 13062.3 LOAD: AVG 0.118267 MAX 0.19857 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.031 MB LDB: TIME 13062.3 LOAD: AVG 0.118267 MAX 0.19857 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.031 MB LDB: ============== END OF LOAD BALANCING =============== 13062.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13062.4 PRESSURE: 4396400 287.151 -193.894 92.301 -193.895 211.094 -10.9479 92.3002 -10.949 -102.091 GPRESSURE: 4396400 327.905 -252.801 78.5728 -122.537 224.111 36.9479 152.959 6.54044 -76.7737 PRESSAVG: 4396400 -10.9977 -21.5264 10.7642 -21.5262 33.2546 -10.5863 10.7643 -10.5863 -26.0981 GPRESSAVG: 4396400 -11.6177 -24.2816 13.6384 -20.1203 33.4218 -10.8636 10.0375 -11.6083 -25.5635 TIMING: 4396400 CPU: 13059.1, 0.00303434/step Wall: 13059.1, 0.00303434/step, 0.508758 hours remaining, 208.742188 MB of memory in use. ENERGY: 4396400 740.3825 2152.4547 1952.7891 106.7190 -206686.0896 18173.3420 0.0000 0.0000 34082.6805 -149477.7220 297.6525 -183560.4024 -149376.4718 299.4306 132.0513 158.4143 557408.5493 -1.2804 -1.2531 PRESSURE: 4396600 35.8448 -137.374 -32.9228 -137.374 -41.0012 37.2509 -32.9233 37.252 135.501 GPRESSURE: 4396600 54.4369 -125.189 -20.8895 -164.107 -8.15372 7.08262 -34.0946 46.0026 203.086 PRESSAVG: 4396600 -34.2174 1.35242 6.94381 1.3524 6.00948 -43.6312 6.94377 -43.6313 -4.41 GPRESSAVG: 4396600 -33.7976 2.78156 3.0936 -0.772862 5.02703 -41.3439 9.21298 -43.1156 -3.34617 TIMING: 4396600 CPU: 13059.7, 0.00293727/step Wall: 13059.7, 0.00293727/step, 0.492319 hours remaining, 208.742188 MB of memory in use. ENERGY: 4396600 719.6335 2094.3984 1939.9837 101.5756 -206529.3826 18049.2375 0.0000 0.0000 34163.2365 -149461.3174 298.3560 -183624.5539 -149361.6406 298.3354 43.4481 83.1232 557235.1445 -10.8726 -10.7056 PRESSURE: 4396800 -230.549 15.9612 17.8023 15.9601 29.4194 -72.3379 17.8026 -72.3374 -24.8955 GPRESSURE: 4396800 -204.512 -24.7925 -7.64511 -31.9231 79.9742 -66.6196 59.4188 -116.357 -7.26866 PRESSAVG: 4396800 41.2761 6.85023 -8.95005 6.85026 -3.2135 -21.6948 -8.95007 -21.695 -24.0008 GPRESSAVG: 4396800 41.7354 6.94696 -9.69453 5.99855 -2.38658 -23.3789 -9.13076 -21.9183 -25.6316 TIMING: 4396800 CPU: 13060.3, 0.00295476/step Wall: 13060.3, 0.00295476/step, 0.495086 hours remaining, 208.742188 MB of memory in use. ENERGY: 4396800 747.5100 2086.7693 1944.4461 109.4228 -206292.0548 17718.2368 0.0000 0.0000 34180.5921 -149505.0777 298.5076 -183685.6698 -149406.2201 298.8242 -75.3416 -43.9354 556697.2968 4.6873 4.5724 PRESSURE: 4397000 -268.432 -8.79307 -9.78771 -8.79371 -96.7951 8.75145 -9.78664 8.7521 204.555 GPRESSURE: 4397000 -257.42 12.1551 72.7366 -53.8898 -60.1756 71.7759 -66.5831 -6.75396 264.753 PRESSAVG: 4397000 -41.8501 -15.3027 48.6007 -15.3027 0.385234 -20.4601 48.6007 -20.4601 29.5769 GPRESSAVG: 4397000 -43.1983 -15.8779 48.4155 -13.3007 0.563548 -19.914 48.9908 -22.8594 30.8755 TIMING: 4397000 CPU: 13060.9, 0.00294467/step Wall: 13060.9, 0.00294467/step, 0.493232 hours remaining, 208.742188 MB of memory in use. ENERGY: 4397000 751.6512 2060.5846 1946.0862 106.0367 -206162.4772 17762.8503 0.0000 0.0000 34023.2219 -149512.0463 297.1333 -183535.2681 -149411.7618 298.1426 -53.5574 -17.6142 557686.6343 -3.9627 -3.9197 PRESSURE: 4397200 141.322 -29.8421 -7.87456 -29.8411 74.4847 117.148 -7.8738 117.146 -147.709 GPRESSURE: 4397200 137.303 3.23174 35.3438 -41.7842 125.277 140.886 -40.3174 40.8611 -107.243 PRESSAVG: 4397200 27.0637 1.67117 -53.9732 1.67116 13.5075 -40.7253 -53.9732 -40.7252 -44.9619 GPRESSAVG: 4397200 27.101 0.767097 -53.7469 3.62014 13.3146 -38.3162 -53.8539 -39.5115 -45.3547 TIMING: 4397200 CPU: 13061.5, 0.00293/step Wall: 13061.5, 0.00293/step, 0.490612 hours remaining, 208.742188 MB of memory in use. ENERGY: 4397200 722.9280 2092.3566 1934.8149 100.3424 -206476.6329 17863.6380 0.0000 0.0000 34444.3149 -149318.2380 300.8108 -183762.5530 -149223.2673 298.6371 22.6991 51.7790 557795.7062 -1.4636 -1.6463 PRESSURE: 4397400 36.216 -13.0481 -95.5455 -13.0484 -123.353 6.1146 -95.5447 6.11482 -79.1194 GPRESSURE: 4397400 35.174 -30.747 -139.037 -53.2738 -111.146 33.2892 -48.7912 -52.7669 3.17656 PRESSAVG: 4397400 71.781 2.04281 -23.254 2.04285 -24.9449 2.10554 -23.254 2.10559 -43.4323 GPRESSAVG: 4397400 72.3599 3.0384 -23.5759 0.170854 -24.6879 0.0621438 -23.8191 2.30688 -44.2082 TIMING: 4397400 CPU: 13062, 0.00294288/step Wall: 13062, 0.00294288/step, 0.492606 hours remaining, 208.742188 MB of memory in use. ENERGY: 4397400 725.1645 2088.6540 1936.2457 113.2345 -206124.1783 17760.5655 0.0000 0.0000 34412.5809 -149087.7333 300.5336 -183500.3141 -148984.7988 299.1052 -55.4189 -24.2651 557845.2845 1.1346 1.1546 PRESSURE: 4397600 -194.023 8.15493 -133.255 8.15417 -269.234 -79.8636 -133.257 -79.8637 -163.764 GPRESSURE: 4397600 -120.142 5.13589 -195.967 108.753 -206.228 -92.8768 -110.299 -91.7394 -205.1 PRESSAVG: 4397600 32.3584 8.32459 -32.0174 8.32468 -35.7069 -17.6678 -32.0173 -17.6678 13.4026 GPRESSAVG: 4397600 31.9663 6.34688 -29.2836 10.2001 -36.7708 -17.3047 -33.2548 -17.6203 15.1492 TIMING: 4397600 CPU: 13062.6, 0.00294163/step Wall: 13062.6, 0.00294163/step, 0.492232 hours remaining, 208.742188 MB of memory in use. ENERGY: 4397600 745.0222 2049.2531 1936.5675 111.0729 -205539.5594 17441.3309 0.0000 0.0000 34075.9819 -149180.3309 297.5940 -183256.3128 -149090.4447 299.4976 -209.0068 -177.1566 558332.2921 3.3514 3.4483 PRESSURE: 4397800 -26.0108 -94.0287 -24.3937 -94.0293 -54.4491 -87.9651 -24.3937 -87.9631 69.5067 GPRESSURE: 4397800 -12.1208 -14.5877 8.87942 -181.733 -31.4245 -68.1086 -27.7262 -49.4131 123.035 PRESSAVG: 4397800 -41.2188 9.67794 -20.6025 9.67794 -7.69325 6.85826 -20.6026 6.85829 32.3804 GPRESSAVG: 4397800 -39.9492 13.9342 -21.4394 6.02768 -8.07194 6.17013 -20.9472 8.93329 31.4438 TIMING: 4397800 CPU: 13063.2, 0.00296042/step Wall: 13063.2, 0.00296042/step, 0.495213 hours remaining, 208.742188 MB of memory in use. ENERGY: 4397800 730.8347 2033.0250 1930.8834 103.5505 -206363.5142 17887.5651 0.0000 0.0000 34425.7053 -149251.9501 300.6482 -183677.6554 -149149.8605 298.4969 -3.6510 26.4966 557522.8804 -5.5105 -5.5258 PRESSURE: 4398000 100.917 30.8569 54.5763 30.8574 47.5538 7.64132 54.5752 7.64269 200.101 GPRESSURE: 4398000 157.357 142.703 -38.6556 -21.1547 34.3453 38.9599 122.085 -38.6905 244.13 PRESSAVG: 4398000 56.5246 27.802 -58.7402 27.802 -29.7418 23.0697 -58.7402 23.0698 -14.8081 GPRESSAVG: 4398000 55.5937 26.0837 -59.3623 28.664 -28.6882 21.9384 -56.3683 21.1271 -14.9825 TIMING: 4398000 CPU: 13063.8, 0.00294114/step Wall: 13063.8, 0.00294114/step, 0.491824 hours remaining, 208.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4398000 724.4959 2072.3323 1951.7226 119.2377 -206274.5556 18035.4181 0.0000 0.0000 34045.3899 -149325.9591 297.3269 -183371.3490 -149230.2409 298.4084 116.1908 145.2775 557067.9704 3.9916 3.9743 PRESSURE: 4398200 25.2294 -63.29 -167.125 -63.2895 -44.4194 48.1797 -167.125 48.1797 -52.4866 GPRESSURE: 4398200 99.3748 9.40512 -118.294 -10.9796 -55.7333 50.1338 -160.21 11.49 -18.063 PRESSAVG: 4398200 -6.20725 38.2721 -52.8683 38.272 15.5047 -46.2141 -52.8683 -46.2142 6.11808 GPRESSAVG: 4398200 -5.53782 39.1529 -52.85 39.1459 14.8442 -44.6818 -53.6711 -46.1315 5.94466 TIMING: 4398200 CPU: 13064.4, 0.00294056/step Wall: 13064.4, 0.00294056/step, 0.491564 hours remaining, 208.742188 MB of memory in use. ENERGY: 4398200 736.1484 2102.0219 1931.2921 111.8269 -206121.9514 17613.6949 0.0000 0.0000 34177.0641 -149449.9031 298.4768 -183626.9672 -149349.6502 298.3679 -23.8922 8.5262 557406.9301 5.1385 5.0837 PRESSURE: 4398400 -126.734 40.9675 138.903 40.9662 154.36 -65.201 138.903 -65.1991 103.839 GPRESSURE: 4398400 -47.6248 80.3455 128.718 74.3733 184.899 -21.2395 91.6545 -31.5195 86.0034 PRESSAVG: 4398400 32.1641 25.4284 38.6639 25.4284 9.69217 -14.2517 38.664 -14.2518 -44.6222 GPRESSAVG: 4398400 31.6114 24.6047 38.3428 27.2203 10.6352 -16.0041 37.8819 -13.9591 -44.9077 TIMING: 4398400 CPU: 13065, 0.00294897/step Wall: 13065, 0.00294897/step, 0.492806 hours remaining, 208.742188 MB of memory in use. ENERGY: 4398400 739.2643 2091.4915 1939.9307 95.7923 -206792.7424 18286.8095 0.0000 0.0000 33985.7380 -149653.7159 296.8059 -183639.4540 -149558.7394 298.2219 43.8218 74.4257 557107.3644 -0.9220 -0.8870 PRESSURE: 4398600 -51.3495 -18.8137 17.2658 -18.8139 -181.019 14.7874 17.2643 14.7891 -284.322 GPRESSURE: 4398600 -79.1356 -84.4892 83.2135 -13.7751 -135.569 69.7114 -64.4387 62.8144 -191.709 PRESSAVG: 4398600 28.9053 49.0778 -14.9773 49.0778 -11.5729 2.06627 -14.9773 2.06632 -9.57274 GPRESSAVG: 4398600 29.5664 48.8057 -16.9697 47.8891 -12.3179 3.3322 -12.7543 2.94377 -9.32909 TIMING: 4398600 CPU: 13065.6, 0.00294513/step Wall: 13065.6, 0.00294513/step, 0.492 hours remaining, 208.742188 MB of memory in use. ENERGY: 4398600 786.7642 1952.2597 1954.1095 96.4214 -206529.6466 17878.6748 0.0000 0.0000 34147.7743 -149713.6427 298.2210 -183861.4170 -149612.8962 297.4670 -172.2300 -135.4709 557398.5438 2.5866 2.6398 PRESSURE: 4398800 91.5906 -61.5634 -73.7998 -61.5643 258.687 23.1427 -73.7998 23.1415 20.9148 GPRESSURE: 4398800 83.2545 -162.277 -112.028 -48.0185 349.309 75.254 14.8792 -75.0055 27.8229 PRESSAVG: 4398800 9.60046 14.5917 -58.6007 14.5918 41.786 41.3629 -58.6008 41.3629 -38.1722 GPRESSAVG: 4398800 9.84209 16.1862 -56.9158 13.9209 42.4381 38.4854 -58.9793 41.7641 -39.1881 TIMING: 4398800 CPU: 13066.2, 0.00293722/step Wall: 13066.2, 0.00293722/step, 0.490515 hours remaining, 208.742188 MB of memory in use. ENERGY: 4398800 737.1213 2041.3003 1941.8513 115.1566 -206827.7729 18198.4343 0.0000 0.0000 34093.1362 -149700.7727 297.7438 -183793.9090 -149612.5506 297.3872 123.7307 153.4621 556195.5787 4.4048 4.3640 PRESSURE: 4399000 -268.608 -141.307 -73.4877 -141.308 21.7898 181.982 -73.4876 181.984 -132.877 GPRESSURE: 4399000 -282.314 -43.7722 -108.718 -130.404 81.4689 227.276 -80.1998 159.569 -78.7429 PRESSAVG: 4399000 -36.7598 -31.2111 22.3214 -31.2111 16.8193 17.6005 22.3214 17.6005 13.7334 GPRESSAVG: 4399000 -36.4216 -29.078 20.9023 -33.1547 16.2328 18.9027 22.108 17.371 14.4037 TIMING: 4399000 CPU: 13066.7, 0.00291285/step Wall: 13066.7, 0.00291285/step, 0.486284 hours remaining, 208.742188 MB of memory in use. ENERGY: 4399000 755.6240 1995.9620 1954.1802 106.9431 -206268.9572 17727.8227 0.0000 0.0000 34062.1280 -149666.2971 297.4730 -183728.4251 -149567.7223 296.8262 -126.5651 -93.1960 556956.4700 -2.0690 -1.9284 PRESSURE: 4399200 -35.0901 56.7864 -72.2281 56.7872 -207.206 -73.405 -72.2269 -73.4042 148.15 GPRESSURE: 4399200 -41.0016 31.7712 24.3101 105.9 -99.6192 -55.3276 -69.4153 -44.2961 145.217 PRESSAVG: 4399200 -40.2612 0.83978 -31.1737 0.839814 2.1933 6.45085 -31.1737 6.45083 17.2366 GPRESSAVG: 4399200 -40.945 -2.24087 -29.5989 2.4315 3.00866 7.8781 -32.2367 5.03139 17.243 TIMING: 4399200 CPU: 13067.3, 0.00291643/step Wall: 13067.3, 0.00291643/step, 0.48672 hours remaining, 208.742188 MB of memory in use. ENERGY: 4399200 704.1772 2016.0970 1925.4082 126.0528 -206468.9083 17955.2838 0.0000 0.0000 34241.4093 -149500.4800 299.0387 -183741.8892 -149403.5220 297.5608 -31.3820 1.5319 557610.8691 -6.9438 -6.8978 PRESSURE: 4399400 244.012 15.7405 -134.536 15.7402 -38.5621 8.24737 -134.536 8.24771 385.78 GPRESSURE: 4399400 278.896 29.3476 -122.858 -33.3889 -0.233903 -36.6122 -89.7053 6.54007 410.23 PRESSAVG: 4399400 -36.9677 -17.8838 -3.2225 -17.8837 -8.83278 31.5328 -3.2225 31.5329 54.5485 GPRESSAVG: 4399400 -36.9013 -19.0194 -4.28051 -17.1853 -8.03498 30.137 -2.04692 32.9321 53.7893 TIMING: 4399400 CPU: 13067.9, 0.00292659/step Wall: 13067.9, 0.00292659/step, 0.488253 hours remaining, 208.742188 MB of memory in use. ENERGY: 4399400 706.1394 2029.4600 1937.3417 121.1448 -206285.0377 18041.1707 0.0000 0.0000 33972.4495 -149477.3315 296.6899 -183449.7810 -149379.2888 298.6547 197.0767 229.6308 556962.4181 2.9160 2.9510 PRESSURE: 4399600 -258.109 -8.78662 37.1839 -8.78701 -393.677 3.75331 37.1848 3.75335 57.3309 GPRESSURE: 4399600 -208.365 -13.5396 36.5681 43.5875 -351.804 -47.0292 -32.911 -38.195 53.5904 PRESSAVG: 4399600 -33.7251 -48.038 5.10014 -48.038 6.12879 7.12344 5.10014 7.12353 2.04775 GPRESSAVG: 4399600 -32.1604 -47.284 6.61038 -49.412 4.21185 8.63395 4.45531 7.10004 2.56755 TIMING: 4399600 CPU: 13068.5, 0.00297059/step Wall: 13068.5, 0.00297059/step, 0.495428 hours remaining, 208.742188 MB of memory in use. ENERGY: 4399600 692.5826 2064.4553 1936.6864 129.2113 -206104.8939 17639.0291 0.0000 0.0000 34092.8051 -149550.1241 297.7409 -183642.9292 -149454.2357 298.4724 -198.1518 -168.8597 559317.4047 -8.5162 -8.4603 PRESSURE: 4399800 -142.369 -116.921 182.034 -116.92 -161.939 -92.9438 182.035 -92.9441 62.9618 GPRESSURE: 4399800 -146.648 -72.0836 131.084 -216.458 -115.545 -86.5905 214.993 -58.1918 112.963 PRESSAVG: 4399800 10.1632 -16.4377 28.7774 -16.4377 -62.1479 35.9681 28.7773 35.9682 -12.2526 GPRESSAVG: 4399800 9.21678 -16.0829 27.9669 -15.0026 -61.9514 33.6675 27.507 35.6025 -11.3277 TIMING: 4399800 CPU: 13069.1, 0.00298972/step Wall: 13069.1, 0.00298972/step, 0.498453 hours remaining, 208.742188 MB of memory in use. ENERGY: 4399800 701.7635 2127.9172 1934.5422 117.5525 -206169.5253 17779.3774 0.0000 0.0000 34120.9936 -149387.3788 297.9871 -183508.3724 -149292.1750 298.1198 -80.4486 -49.7432 557185.3613 -21.4124 -21.3541 PRESSURE: 4400000 164.886 45.7118 25.8043 45.71 89.064 -25.2202 25.8051 -25.2199 0.905192 GPRESSURE: 4400000 205.654 -40.432 139.027 135.352 137.561 -69.858 -38.9949 17.4646 7.07316 PRESSAVG: 4400000 65.9525 58.7328 -15.9567 58.7328 -5.9316 -27.1837 -15.9567 -27.1836 -0.0390821 GPRESSAVG: 4400000 66.3124 59.0692 -14.2206 58.6484 -5.72036 -26.7098 -14.532 -26.2335 -0.0820505 TIMING: 4400000 CPU: 13069.7, 0.00294335/step Wall: 13069.7, 0.00294335/step, 0.490559 hours remaining, 208.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4400000 681.6777 2087.4189 1951.8043 99.0411 -205855.5648 17624.0812 0.0000 0.0000 33981.7258 -149429.8160 296.7709 -183411.5418 -149330.7381 298.1650 84.9518 116.7627 556578.5458 19.9939 20.1700 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4400000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 4400000 WRITING COORDINATES TO RESTART FILE AT STEP 4400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4400200 185.154 7.83576 44.4278 7.83569 -5.14059 -191.252 44.4273 -191.253 -77.6409 GPRESSURE: 4400200 220.183 78.6987 -6.80248 -5.86756 8.63812 -155.765 110.896 -205.511 -25.1921 PRESSAVG: 4400200 -33.3758 17.6034 32.18 17.6035 34.3275 -19.9617 32.18 -19.9616 -13.7786 GPRESSAVG: 4400200 -33.7527 16.8281 31.9888 16.75 34.7114 -19.6127 31.7389 -21.2486 -13.4499 TIMING: 4400200 CPU: 13070.3, 0.00308234/step Wall: 13070.3, 0.00308234/step, 0.513552 hours remaining, 208.742188 MB of memory in use. ENERGY: 4400200 717.3096 2112.5333 1928.5904 123.0037 -206294.9633 17754.9328 0.0000 0.0000 34146.2605 -149512.3330 298.2078 -183658.5935 -149417.3327 297.8690 34.1243 67.8765 557692.9102 -4.2757 -4.1637 LDB: ============= START OF LOAD BALANCING ============== 13073.9 LDB: ============== END OF LOAD BALANCING =============== 13073.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13073.9 LDB: ============= START OF LOAD BALANCING ============== 13074.2 LDB: Largest compute 4809 load 0.022660 is 19.2% of average load 0.118241 LDB: Average compute 0.001742 is 1.5% of average load 0.118241 LDB: TIME 13074.2 LOAD: AVG 0.118241 MAX 0.198993 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.039 MB LDB: TIME 13074.2 LOAD: AVG 0.118241 MAX 0.198993 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: TIME 13074.2 LOAD: AVG 0.118241 MAX 0.198993 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: ============== END OF LOAD BALANCING =============== 13074.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13074.2 PRESSURE: 4400400 143.832 -53.8719 -0.0917082 -53.8712 153.655 6.43165 -0.0918485 6.43075 303.573 GPRESSURE: 4400400 194.105 -145.308 -8.21184 34.5426 182.684 -34.8152 89.1589 8.63456 320.959 PRESSAVG: 4400400 -16.6535 26.8918 43.4409 26.8918 43.7014 -14.8439 43.4409 -14.8438 8.00529 GPRESSAVG: 4400400 -16.1079 25.786 41.4078 28.5485 44.413 -13.2181 44.7148 -14.122 6.69007 TIMING: 4400400 CPU: 13070.9, 0.00304878/step Wall: 13070.9, 0.00304878/step, 0.507791 hours remaining, 208.039062 MB of memory in use. ENERGY: 4400400 705.4720 2036.2260 1956.5402 112.7878 -206698.0718 18170.9885 0.0000 0.0000 34165.1948 -149550.8625 298.3731 -183716.0573 -149453.3249 298.1302 200.3533 232.5826 556286.9778 11.6844 11.6651 PRESSURE: 4400600 -382.294 13.5178 -10.4683 13.5171 -475.761 49.2568 -10.4668 49.257 -307.09 GPRESSURE: 4400600 -344.723 71.5324 -115.993 -29.6097 -407.44 -47.6616 10.6118 41.0394 -313.588 PRESSAVG: 4400600 -74.0764 1.38347 -6.50653 1.38348 -20.9815 -13.3323 -6.50652 -13.3323 5.14148 GPRESSAVG: 4400600 -75.0832 0.0280468 -5.72441 1.3677 -20.2965 -15.8754 -6.27302 -13.3313 5.23325 TIMING: 4400600 CPU: 13071.5, 0.00295655/step Wall: 13071.5, 0.00295655/step, 0.492265 hours remaining, 208.039062 MB of memory in use. ENERGY: 4400600 744.8708 2029.0600 1932.8062 107.7584 -205455.8970 17170.8885 0.0000 0.0000 34204.6457 -149265.8675 298.7177 -183470.5132 -149165.3910 298.1239 -388.3816 -355.2505 559238.2981 -29.9721 -30.0488 PRESSURE: 4400800 136.025 -63.3118 -65.5068 -63.3095 178.72 -244.756 -65.5053 -244.756 280.655 GPRESSURE: 4400800 112.22 8.62795 -74.4194 39.2916 212.663 -247.889 -65.5028 -188.012 366.641 PRESSAVG: 4400800 17.9153 -60.4077 -10.3988 -60.4077 81.7624 -19.0079 -10.3987 -19.0081 -57.1877 GPRESSAVG: 4400800 17.4614 -58.9919 -9.02238 -62.0482 80.606 -19.3838 -11.0268 -18.3149 -55.6677 TIMING: 4400800 CPU: 13072.1, 0.00293005/step Wall: 13072.1, 0.00293005/step, 0.487691 hours remaining, 208.039062 MB of memory in use. ENERGY: 4400800 734.3957 2085.1490 1962.2676 125.7071 -206302.0798 17946.6444 0.0000 0.0000 34248.0444 -149199.8716 299.0967 -183447.9160 -149104.6100 299.2657 198.4666 230.5078 557194.0577 14.1634 14.1333 PRESSURE: 4401000 32.9891 0.150751 8.91395 0.150566 84.3454 -51.3313 8.91226 -51.3317 -118.155 GPRESSURE: 4401000 49.7353 24.5874 -15.1087 -6.23368 136.022 -71.8299 -51.0496 -49.2905 -89.1104 PRESSAVG: 4401000 -30.165 -1.33252 38.9637 -1.33257 60.4405 -26.7095 38.9637 -26.7095 -22.9894 GPRESSAVG: 4401000 -29.9012 -0.386205 37.9798 -1.25339 61.2131 -25.7573 36.7542 -25.5283 -23.8613 TIMING: 4401000 CPU: 13072.7, 0.00295735/step Wall: 13072.7, 0.00295735/step, 0.49207 hours remaining, 208.039062 MB of memory in use. ENERGY: 4401000 728.2351 2089.5308 1919.3002 113.8287 -206148.5432 17835.1654 0.0000 0.0000 34253.3004 -149209.1825 299.1426 -183462.4829 -149114.8796 299.9286 -0.2733 32.2155 557287.2175 2.4287 2.4835 PRESSURE: 4401200 243.286 157.816 5.46905 157.816 21.708 47.5065 5.46874 47.5058 -58.9143 GPRESSURE: 4401200 265.243 113.473 -44.5773 107.711 91.9154 127.241 46.6554 46.0939 -48.2663 PRESSAVG: 4401200 8.22826 -11.5888 43.0777 -11.5889 17.3318 6.89703 43.0777 6.89698 7.08557 GPRESSAVG: 4401200 9.65387 -13.3935 43.1225 -11.8065 16.9414 7.06445 45.1366 6.11174 6.20608 TIMING: 4401200 CPU: 13073.3, 0.00297447/step Wall: 13073.3, 0.00297447/step, 0.494753 hours remaining, 208.039062 MB of memory in use. ENERGY: 4401200 740.7607 2100.2427 1936.4654 116.0671 -206215.3821 18014.3132 0.0000 0.0000 34167.9596 -149139.5735 298.3973 -183307.5331 -149044.1528 298.9591 68.6932 102.9640 557041.3824 10.8819 10.9338 PRESSURE: 4401400 -62.2471 -35.2245 149.593 -35.2261 -54.4278 78.9382 149.592 78.9377 -270.546 GPRESSURE: 4401400 -34.5365 -120.74 74.6967 -36.557 -6.62803 137.388 223.217 34.0092 -260.743 PRESSAVG: 4401400 32.9603 -15.6253 49.3301 -15.6253 -11.4106 26.7591 49.3302 26.7591 -12.9109 GPRESSAVG: 4401400 32.5096 -13.6353 48.7606 -16.0547 -11.4436 25.6744 48.7633 25.9056 -12.0078 TIMING: 4401400 CPU: 13073.9, 0.00294794/step Wall: 13073.9, 0.00294794/step, 0.490177 hours remaining, 208.039062 MB of memory in use. ENERGY: 4401400 760.8588 2169.0171 1933.9292 99.8418 -205703.1401 17538.6368 0.0000 0.0000 34153.5018 -149047.3545 298.2710 -183200.8564 -148950.3442 299.0728 -129.0737 -100.6359 556985.4384 2.8796 3.0194 PRESSURE: 4401600 18.8076 -83.9549 -119.451 -83.9537 16.4007 22.0098 -119.451 22.009 298.428 GPRESSURE: 4401600 38.3287 -69.2551 -38.3632 -88.5758 152.914 -12.5992 -191.044 20.4907 247.151 PRESSAVG: 4401600 -42.5594 -38.1661 -1.04527 -38.1661 67.2763 -42.7592 -1.04524 -42.7592 -0.602733 GPRESSAVG: 4401600 -44.1198 -39.2129 -0.828415 -38.1401 66.9032 -43.2057 -1.46895 -42.5473 0.767176 TIMING: 4401600 CPU: 13074.5, 0.00294802/step Wall: 13074.5, 0.00294802/step, 0.490026 hours remaining, 208.039062 MB of memory in use. ENERGY: 4401600 748.7872 2106.1561 1922.9086 116.4698 -206100.9766 17842.2521 0.0000 0.0000 34454.0356 -148910.3672 300.8957 -183364.4027 -148822.5233 299.6594 111.2122 146.1313 556307.9591 8.0381 7.8502 PRESSURE: 4401800 -201.701 -164.028 -53.0388 -164.028 24.8166 -107.932 -53.0383 -107.932 -36.536 GPRESSURE: 4401800 -136.781 -129.731 -69.5842 -179.391 80.7408 -81.2693 -78.4896 -78.1467 -53.7444 PRESSAVG: 4401800 -40.3462 -55.1523 13.3334 -55.1523 2.49738 22.0028 13.3333 22.0028 -24.2315 GPRESSAVG: 4401800 -39.9708 -53.6824 13.8831 -54.8391 0.833025 22.6581 13.2537 22.5447 -23.8128 TIMING: 4401800 CPU: 13075.1, 0.00292246/step Wall: 13075.1, 0.00292246/step, 0.485616 hours remaining, 208.039062 MB of memory in use. ENERGY: 4401800 780.2273 2134.7330 1966.4379 122.7910 -205649.2128 17517.7024 0.0000 0.0000 34193.7207 -148933.6006 298.6223 -183127.3212 -148835.9572 299.6647 -71.1400 -36.5948 556657.3964 -20.6934 -20.9835 PRESSURE: 4402000 -287.501 57.6308 -80.6673 57.6322 -225.414 -0.473744 -80.6671 -0.474185 -123.364 GPRESSURE: 4402000 -262.36 67.7205 -76.3034 52.7418 -179.951 26.8975 -87.4942 -39.4851 -104.583 PRESSAVG: 4402000 30.1742 -2.90446 -23.3037 -2.90445 15.1766 -9.04331 -23.3038 -9.04325 -20.05 GPRESSAVG: 4402000 30.461 -5.89264 -25.0147 -3.40417 17.0775 -8.83285 -21.2377 -10.0225 -22.1211 TIMING: 4402000 CPU: 13075.6, 0.00293196/step Wall: 13075.6, 0.00293196/step, 0.487032 hours remaining, 208.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4402000 749.5867 2145.1490 1948.1269 116.9434 -205601.7066 17313.5071 0.0000 0.0000 34456.3705 -148872.0229 300.9161 -183328.3934 -148772.8231 300.1262 -212.0932 -182.2978 558122.3300 8.4336 8.4725 PRESSURE: 4402200 281.86 161.495 152.742 161.494 113.259 81.2339 152.742 81.2335 170.726 GPRESSURE: 4402200 291.938 180.099 174.517 45.9121 163.712 -61.4926 92.0368 153.247 206.15 PRESSAVG: 4402200 -10.096 -23.6438 37.038 -23.6438 -20.499 55.9936 37.0379 55.9934 23.3332 GPRESSAVG: 4402200 -9.92897 -20.702 39.4753 -24.9958 -21.4128 53.897 35.05 57.7977 24.3267 TIMING: 4402200 CPU: 13076.2, 0.0029261/step Wall: 13076.2, 0.0029261/step, 0.485896 hours remaining, 208.039062 MB of memory in use. ENERGY: 4402200 729.5609 2104.5004 1937.3729 108.7270 -206192.8991 17968.7421 0.0000 0.0000 34441.9544 -148902.0413 300.7902 -183343.9957 -148810.7080 300.1868 188.6151 220.6004 557568.9521 -2.4206 -2.3384 PRESSURE: 4402400 -132.012 63.0514 -188.957 63.051 155.135 -178.647 -188.956 -178.648 187.361 GPRESSURE: 4402400 -114.63 -7.11285 -148.779 59.7764 225.67 -260.078 -223.202 -258.989 195.444 PRESSAVG: 4402400 -73.4589 51.5878 -43.3986 51.5879 26.857 51.0732 -43.3985 51.0732 67.79 GPRESSAVG: 4402400 -73.78 51.1083 -42.0388 52.5489 27.3771 50.8253 -42.7222 48.0018 67.1106 TIMING: 4402400 CPU: 13076.8, 0.00294392/step Wall: 13076.8, 0.00294392/step, 0.48869 hours remaining, 208.039062 MB of memory in use. ENERGY: 4402400 678.6782 2137.3642 1945.4554 106.5806 -205914.1056 17853.5071 0.0000 0.0000 34234.3636 -148958.1565 298.9772 -183192.5201 -148860.0612 299.5243 70.1613 102.1610 557601.0199 7.0627 6.9026 PRESSURE: 4402600 -298.58 -154.438 -45.3749 -154.438 -138.094 127.804 -45.3749 127.802 -151.555 GPRESSURE: 4402600 -239.426 -81.2348 3.70068 -138.015 -147.283 58.9526 48.5024 121.878 -105.667 PRESSAVG: 4402600 2.67966 -28.8804 -8.35009 -28.8804 -1.27029 -13.6865 -8.35006 -13.6865 19.4219 GPRESSAVG: 4402600 3.38216 -27.2002 -10.251 -30.7469 -0.875483 -11.1956 -8.33613 -13.0163 18.9148 TIMING: 4402600 CPU: 13077.4, 0.00295346/step Wall: 13077.4, 0.00295346/step, 0.49011 hours remaining, 208.039062 MB of memory in use. ENERGY: 4402600 772.0957 2093.6450 1952.5341 108.1948 -205797.1878 17561.2528 0.0000 0.0000 34168.7974 -149140.6681 298.4046 -183309.4655 -149042.0007 299.2382 -196.0764 -164.1251 558087.6093 6.9437 7.1405 PRESSURE: 4402800 69.0254 -81.3748 -13.3085 -81.3733 24.9991 84.7562 -13.3088 84.7548 -47.435 GPRESSURE: 4402800 115.623 -0.461654 -3.75918 -132.551 28.6462 63.3979 40.0166 57.0389 15.0788 PRESSAVG: 4402800 -35.0663 -21.2138 -36.9768 -21.2138 -2.23669 -17.3281 -36.9768 -17.3281 -20.0969 GPRESSAVG: 4402800 -34.5473 -23.6379 -37.9889 -16.9275 -3.74041 -18.393 -35.9524 -17.9817 -18.9664 TIMING: 4402800 CPU: 13078, 0.00294641/step Wall: 13078, 0.00294641/step, 0.488777 hours remaining, 208.039062 MB of memory in use. ENERGY: 4402800 758.5475 2089.8645 1933.1881 107.4091 -206139.1015 17791.2946 0.0000 0.0000 34224.5600 -149234.2378 298.8916 -183458.7978 -149141.4652 298.8892 15.5298 53.1160 557313.6367 -19.1333 -19.0847 PRESSURE: 4403000 105.021 1.97606 -130.289 1.97562 -15.1072 22.5348 -130.288 22.5341 -235.226 GPRESSURE: 4403000 68.143 23.4671 -154.305 -86.1966 67.5777 81.9807 -83.4745 12.4797 -187.997 PRESSAVG: 4403000 9.08437 30.4526 -17.5459 30.4526 77.1287 41.8312 -17.5459 41.8312 -25.4187 GPRESSAVG: 4403000 8.25044 31.4896 -17.2458 27.8413 77.9508 44.1393 -17.7767 42.8393 -25.4816 TIMING: 4403000 CPU: 13078.6, 0.00294495/step Wall: 13078.6, 0.00294495/step, 0.488371 hours remaining, 208.039062 MB of memory in use. ENERGY: 4403000 737.7683 2057.4299 1956.5349 108.9528 -206386.4344 17910.6782 0.0000 0.0000 34484.3894 -149130.6809 301.1607 -183615.0703 -149032.4301 299.6403 -48.4373 -17.4255 557345.2832 20.2648 20.2399 PRESSURE: 4403200 -244.59 -43.555 137.682 -43.5545 101.123 228.638 137.682 228.638 -93.7653 GPRESSURE: 4403200 -170.054 -9.04946 135.587 -26.0187 105.337 280.191 90.7605 192.145 -91.779 PRESSAVG: 4403200 -19.1625 -22.114 -7.20743 -22.1141 -33.8945 -2.93319 -7.20747 -2.93321 21.3215 GPRESSAVG: 4403200 -20.2505 -23.418 -5.58586 -20.4295 -31.9446 -5.62508 -10.1655 -2.2473 20.4504 TIMING: 4403200 CPU: 13079.2, 0.00293577/step Wall: 13079.2, 0.00293577/step, 0.486685 hours remaining, 208.039062 MB of memory in use. ENERGY: 4403200 711.4624 2119.1421 1933.5942 125.4027 -206118.6182 17698.2198 0.0000 0.0000 34360.3017 -149170.4954 300.0771 -183530.7971 -149070.8174 299.5328 -79.0772 -52.1654 556764.1194 -10.5785 -10.5816 PRESSURE: 4403400 106 55.3405 23.8802 55.3389 26.7431 -156.179 23.8805 -156.179 80.2326 GPRESSURE: 4403400 191.996 59.2227 5.18284 68.0822 64.2543 -232.023 29.9993 -195.525 55.3732 PRESSAVG: 4403400 -71.8207 3.5691 43.1385 3.56908 31.9509 20.6291 43.1384 20.629 49.6876 GPRESSAVG: 4403400 -72.9893 3.20611 41.2871 4.99819 30.4061 21.7455 44.0542 19.6638 52.1459 TIMING: 4403400 CPU: 13079.8, 0.00291855/step Wall: 13079.8, 0.00291855/step, 0.483668 hours remaining, 208.039062 MB of memory in use. ENERGY: 4403400 743.5030 2101.8359 1938.0138 117.5851 -206437.6716 18041.5425 0.0000 0.0000 34265.9830 -149229.2083 299.2534 -183495.1913 -149133.6435 298.8650 70.9919 103.8746 557557.7735 3.2726 3.1876 PRESSURE: 4403600 296.092 -33.7517 46.7833 -33.7509 89.4658 10.8098 46.7823 10.8109 416.503 GPRESSURE: 4403600 334.248 -98.5518 25.5637 -34.8991 68.9835 -62.0119 -37.5221 28.53 485.679 PRESSAVG: 4403600 -23.2885 -15.3777 -21.6023 -15.3778 -27.7036 30.0068 -21.6022 30.0068 32.047 GPRESSAVG: 4403600 -21.728 -13.977 -21.6666 -17.7524 -28.3789 29.4123 -21.2953 29.5378 31.1084 TIMING: 4403600 CPU: 13080.3, 0.00290805/step Wall: 13080.3, 0.00290805/step, 0.481767 hours remaining, 208.039062 MB of memory in use. ENERGY: 4403600 725.6261 2100.7245 1941.3188 104.9384 -206631.3331 18231.2941 0.0000 0.0000 34144.1649 -149383.2663 298.1895 -183527.4312 -149283.2999 298.6973 267.3535 296.3036 557425.8218 -6.3150 -6.3329 PRESSURE: 4403800 -168.6 108.659 -96.3734 108.659 -1.76723 -135.383 -96.3738 -135.382 190.843 GPRESSURE: 4403800 -108.385 54.7433 -142.726 108.138 -32.16 -53.6516 -55.0088 -195.108 238.107 PRESSAVG: 4403800 30.7396 3.23565 -23.7927 3.23566 -17.014 32.5018 -23.7927 32.5017 4.71344 GPRESSAVG: 4403800 29.6291 3.15657 -21.5705 4.48441 -16.6483 33.134 -23.4728 33.3707 4.92511 TIMING: 4403800 CPU: 13080.9, 0.00290889/step Wall: 13080.9, 0.00290889/step, 0.481745 hours remaining, 208.039062 MB of memory in use. ENERGY: 4403800 717.7973 2168.8252 1930.0186 99.6355 -206412.3016 18018.3177 0.0000 0.0000 34069.2621 -149408.4452 297.5353 -183477.7073 -149310.0144 299.1304 6.8255 32.5208 558607.7016 6.1463 5.9686 PRESSURE: 4404000 -76.5252 138.998 94.8956 138.999 -240.748 -203.935 94.8954 -203.936 -132.329 GPRESSURE: 4404000 -91.3022 155.925 32.7998 130.312 -200.976 -173.68 133.385 -199.32 -70.1428 PRESSAVG: 4404000 -37.1716 60.3153 -3.5037 60.3153 -0.631795 12.193 -3.50361 12.1932 16.3307 GPRESSAVG: 4404000 -35.9609 60.1509 -5.63177 60.2271 -1.38814 10.3287 -2.94024 14.322 15.9327 TIMING: 4404000 CPU: 13081.5, 0.00290794/step Wall: 13081.5, 0.00290794/step, 0.481426 hours remaining, 208.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4404000 734.3809 2098.3156 1921.6224 100.8201 -206627.7175 17937.5250 0.0000 0.0000 34494.7224 -149340.3311 301.2510 -183835.0534 -149236.3633 299.3311 -149.8676 -120.8070 557518.5616 -7.1576 -7.1388 PRESSURE: 4404200 -61.1119 -18.1289 50.111 -18.1287 -222.797 -0.210383 50.1111 -0.211183 -136.945 GPRESSURE: 4404200 -8.88306 16.7498 17.2515 -94.366 -144.227 82.6014 83.1416 -70.0994 -166.567 PRESSAVG: 4404200 10.9552 40.6652 -1.17068 40.6652 -20.0416 8.43068 -1.17072 8.43075 40.6975 GPRESSAVG: 4404200 10.742 39.3289 0.579172 41.0416 -19.7835 9.10482 -2.74544 7.72868 40.1614 TIMING: 4404200 CPU: 13082.1, 0.00291794/step Wall: 13082.1, 0.00291794/step, 0.482919 hours remaining, 208.097656 MB of memory in use. ENERGY: 4404200 735.9002 2052.6075 1922.1879 118.6855 -206505.5599 17910.1549 0.0000 0.0000 34460.8895 -149305.1344 300.9555 -183766.0240 -149203.8100 300.2051 -140.2846 -106.5589 558445.3804 10.5371 10.3733 LDB: ============= START OF LOAD BALANCING ============== 13085.6 LDB: ============== END OF LOAD BALANCING =============== 13085.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13085.6 LDB: ============= START OF LOAD BALANCING ============== 13085.9 LDB: Largest compute 4809 load 0.022925 is 19.4% of average load 0.118211 LDB: Average compute 0.001741 is 1.5% of average load 0.118211 LDB: TIME 13085.9 LOAD: AVG 0.118211 MAX 0.197228 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.238 MB LDB: TIME 13085.9 LOAD: AVG 0.118211 MAX 0.197228 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.438 MB LDB: TIME 13085.9 LOAD: AVG 0.118211 MAX 0.197228 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13085.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13085.9 PRESSURE: 4404400 53.785 -76.7817 -31.9655 -76.7815 127.372 12.6971 -31.9656 12.6978 -124.101 GPRESSURE: 4404400 96.6934 -122.833 -63.4005 -28.8901 150.599 33.1617 -22.7057 -69.2738 -84.1214 PRESSAVG: 4404400 9.69156 -18.9384 8.03928 -18.9383 17.7974 21.4146 8.03934 21.4146 4.36886 GPRESSAVG: 4404400 9.94287 -15.6259 6.60726 -21.2914 18.3781 21.74 9.21755 21.3198 3.95341 TIMING: 4404400 CPU: 13082.7, 0.00300273/step Wall: 13082.7, 0.00300273/step, 0.496785 hours remaining, 209.765625 MB of memory in use. ENERGY: 4404400 747.4371 2094.5357 1952.5661 119.7194 -206650.0397 18021.5425 0.0000 0.0000 34300.4839 -149413.7550 299.5547 -183714.2389 -149321.3586 299.1369 19.0183 54.3903 558478.1672 10.6193 10.7581 PRESSURE: 4404600 -16.9683 51.8809 48.3806 51.8816 -142.771 -98.5561 48.3809 -98.5554 139.171 GPRESSURE: 4404600 51.0251 31.3495 41.5828 -13.5514 -108.943 -93.112 52.535 -109.887 125.838 PRESSAVG: 4404600 64.2576 -11.8531 31.3655 -11.853 -26.972 16.6117 31.3655 16.6118 -30.1078 GPRESSAVG: 4404600 65.4914 -12.1199 31.1973 -10.2908 -28.3311 16.2715 32.4008 16.8315 -30.0314 TIMING: 4404600 CPU: 13083.3, 0.00294612/step Wall: 13083.3, 0.00294612/step, 0.487255 hours remaining, 209.964844 MB of memory in use. ENERGY: 4404600 740.4822 2104.3121 1947.4149 119.9795 -206304.7220 17850.1531 0.0000 0.0000 34248.3509 -149294.0292 299.0994 -183542.3802 -149199.6934 299.3579 -6.8560 22.6401 557431.0929 2.3926 2.3763 PRESSURE: 4404800 -6.20535 20.1346 -0.589102 20.1327 80.5396 133.816 -0.590102 133.815 -210.126 GPRESSURE: 4404800 -26.347 137.001 11.0315 -101.383 132.547 170.276 48.2332 71.2851 -133.13 PRESSAVG: 4404800 9.73823 -20.9206 91.6021 -20.9206 -58.5686 19.0061 91.6021 19.0061 52.4512 GPRESSAVG: 4404800 8.83388 -22.0659 95.0804 -22.8986 -57.6814 18.7446 88.0989 18.2271 52.4249 TIMING: 4404800 CPU: 13083.9, 0.00293579/step Wall: 13083.9, 0.00293579/step, 0.485384 hours remaining, 209.964844 MB of memory in use. ENERGY: 4404800 769.2562 2128.8702 1940.0766 120.2577 -206626.5636 17962.1920 0.0000 0.0000 34247.3284 -149458.5824 299.0904 -183705.9108 -149363.0087 299.2087 -45.2638 -8.9769 559057.2937 1.2069 1.1924 PRESSURE: 4405000 -175.911 -38.8539 14.2765 -38.853 133.689 23.2692 14.2748 23.2683 161.161 GPRESSURE: 4405000 -126.176 69.5916 -29.8236 -55.7657 167.017 15.4495 44.8806 -7.80332 181.88 PRESSAVG: 4405000 -9.89345 -8.636 -2.69413 -8.63594 -47.4368 39.0263 -2.69406 39.0262 21.07 GPRESSAVG: 4405000 -8.59867 -8.20387 -7.8906 -5.50614 -48.3238 39.7009 0.532203 40.1229 20.2997 TIMING: 4405000 CPU: 13084.4, 0.00293905/step Wall: 13084.4, 0.00293905/step, 0.48576 hours remaining, 209.964844 MB of memory in use. ENERGY: 4405000 695.5373 2128.8761 1937.6228 106.2893 -206438.8687 17929.6904 0.0000 0.0000 34169.9594 -149470.8933 298.4148 -183640.8527 -149375.4840 298.7235 39.6461 74.2403 558297.8851 -12.0867 -12.2076 PRESSURE: 4405200 -45.1439 138.762 -110.808 138.762 15.7212 204.819 -110.807 204.819 -37.1055 GPRESSURE: 4405200 -47.6228 77.298 -215.476 69.2185 136.962 218.315 12.223 182.238 -49.4074 PRESSAVG: 4405200 31.6668 17.1864 6.03125 17.1866 7.12859 5.50426 6.03135 5.50426 15.3881 GPRESSAVG: 4405200 31.4626 17.3143 9.14494 15.7079 7.77854 5.4876 3.2358 4.1166 15.0536 TIMING: 4405200 CPU: 13085, 0.00292505/step Wall: 13085, 0.00292505/step, 0.483283 hours remaining, 209.964844 MB of memory in use. ENERGY: 4405200 741.9507 2074.3354 1934.4168 106.9376 -206411.5895 17946.0495 0.0000 0.0000 34271.6628 -149336.2367 299.3030 -183607.8995 -149244.0023 299.4583 -22.1761 13.3107 558606.4324 18.0612 18.0982 PRESSURE: 4405400 -25.9106 -24.8164 77.6151 -24.8159 91.9321 210.026 77.6148 210.026 -1.91626 GPRESSURE: 4405400 -10.5149 -14.1134 29.7991 -47.009 153.959 165.62 101.033 181.346 18.3719 PRESSAVG: 4405400 1.15391 -3.44108 -30.7277 -3.44105 34.2633 15.8201 -30.7276 15.8202 -16.8667 GPRESSAVG: 4405400 1.99268 -2.83028 -32.3297 -4.33595 32.5694 16.5128 -28.4199 15.5279 -15.7317 TIMING: 4405400 CPU: 13085.6, 0.00291952/step Wall: 13085.6, 0.00291952/step, 0.482207 hours remaining, 209.964844 MB of memory in use. ENERGY: 4405400 726.8364 2126.8521 1946.1364 109.8633 -206485.8265 17939.0918 0.0000 0.0000 34275.7952 -149361.2512 299.3390 -183637.0464 -149255.9587 299.3029 21.3684 53.9386 558056.8546 6.1835 6.2768 PRESSURE: 4405600 -34.7336 -20.694 67.1095 -20.6933 -43.7771 -35.6174 67.1101 -35.6184 80.2628 GPRESSURE: 4405600 11.4875 -75.1565 88.3642 -11.3666 -15.2404 -66.8032 119.531 3.15082 93.0592 PRESSAVG: 4405600 -10.518 -7.32942 13.7998 -7.32946 3.82296 -8.87991 13.7998 -8.87997 12.6085 GPRESSAVG: 4405600 -12.307 -8.45588 16.4811 -4.98128 5.23206 -8.73261 13.0442 -8.96753 12.8532 TIMING: 4405600 CPU: 13086.2, 0.00294376/step Wall: 13086.2, 0.00294376/step, 0.486048 hours remaining, 209.964844 MB of memory in use. ENERGY: 4405600 778.6389 2133.9607 1956.3273 115.2559 -206693.4285 17909.3031 0.0000 0.0000 34365.4289 -149434.5136 300.1218 -183799.9425 -149339.4626 299.3034 0.5840 29.7688 555722.6850 1.9711 1.9261 PRESSURE: 4405800 -157.034 70.4936 -56.3933 70.4925 -128.796 0.944832 -56.394 0.944043 -12.5911 GPRESSURE: 4405800 -137.609 122.905 -21.9696 32.5623 -109.082 -61.1047 -221.321 -8.69227 36.7631 PRESSAVG: 4405800 -4.50408 56.557 -3.59334 56.557 -15.1866 2.46008 -3.59333 2.45996 6.81889 GPRESSAVG: 4405800 -3.92196 57.617 -6.64392 56.0299 -14.879 0.49596 -3.97059 3.74082 5.38871 TIMING: 4405800 CPU: 13086.8, 0.0029439/step Wall: 13086.8, 0.0029439/step, 0.485907 hours remaining, 209.964844 MB of memory in use. ENERGY: 4405800 749.5472 2049.9840 1947.9029 113.9650 -206298.1622 17791.7538 0.0000 0.0000 34232.8936 -149412.1157 298.9644 -183645.0093 -149309.9234 298.7466 -99.4736 -69.9761 558847.2124 -4.2906 -4.4708 PRESSURE: 4406000 -45.356 -34.6236 104.909 -34.6239 -256.81 31.7712 104.908 31.7702 -205.007 GPRESSURE: 4406000 3.82119 44.7849 112.669 -11.4618 -262.758 -6.58854 111.07 117.749 -157.089 PRESSAVG: 4406000 37.2746 11.2775 -1.76012 11.2775 6.00702 10.3355 -1.76021 10.3354 -71.9923 GPRESSAVG: 4406000 36.6719 11.758 1.04425 9.18913 5.20669 10.7427 -1.66469 9.68816 -70.71 TIMING: 4406000 CPU: 13087.4, 0.00295187/step Wall: 13087.4, 0.00295187/step, 0.487058 hours remaining, 209.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4406000 767.6882 2177.0825 1934.2332 112.8030 -206325.8341 17596.9495 0.0000 0.0000 34268.9643 -149468.1133 299.2794 -183737.0776 -149373.2453 299.3597 -169.0576 -138.6752 558061.1029 -9.5702 -9.6105 PRESSURE: 4406200 -233.082 -126.863 58.713 -126.862 149.058 -49.014 58.7125 -49.0142 57.8568 GPRESSURE: 4406200 -195.546 -101.151 104.139 -129.516 206.787 24.9126 -35.8331 -3.6318 65.0359 PRESSAVG: 4406200 12.8748 -33.6902 17.241 -33.6902 32.9162 -12.404 17.241 -12.404 -35.2313 GPRESSAVG: 4406200 12.3626 -34.451 15.8753 -31.479 34.272 -11.0794 16.9241 -13.3989 -35.8962 TIMING: 4406200 CPU: 13088, 0.00292095/step Wall: 13088, 0.00292095/step, 0.481794 hours remaining, 209.964844 MB of memory in use. ENERGY: 4406200 769.2587 2081.0952 1935.1960 123.4229 -206956.3703 18008.8595 0.0000 0.0000 34421.1842 -149617.3538 300.6088 -184038.5379 -149519.3472 298.4510 -8.7225 25.4257 556186.8457 3.5199 3.5795 PRESSURE: 4406400 -274.769 -73.2072 25.6415 -73.2058 243.297 177.322 25.6397 177.319 463.159 GPRESSURE: 4406400 -185.433 -39.1749 6.56308 -80.3615 243.618 92.7033 45.719 189.546 472.031 PRESSAVG: 4406400 -81.1257 20.7242 45.0442 20.7243 67.8769 27.981 45.0443 27.9809 7.05718 GPRESSAVG: 4406400 -80.084 20.3321 45.7129 19.6594 66.3068 27.6935 45.1428 27.7953 7.64166 TIMING: 4406400 CPU: 13088.5, 0.00291278/step Wall: 13088.5, 0.00291278/step, 0.480285 hours remaining, 209.964844 MB of memory in use. ENERGY: 4406400 760.2427 2158.7898 1939.0349 124.0399 -206840.6274 18096.4151 0.0000 0.0000 34077.0866 -149685.0183 297.6037 -183762.1049 -149595.1032 297.8273 143.8957 176.7386 556846.1591 -2.0639 -2.0452 PRESSURE: 4406600 -6.02716 -24.5338 39.5164 -24.5334 -227.037 73.7339 39.5166 73.7345 -114.661 GPRESSURE: 4406600 -49.992 -91.1007 58.693 15.0282 -220.715 78.1243 -14.147 -25.0386 12.9477 PRESSAVG: 4406600 -68.6544 -6.60256 -22.4818 -6.60253 30.8546 -25.9018 -22.4818 -25.9016 33.9549 GPRESSAVG: 4406600 -69.475 -7.22834 -24.2553 -6.64089 31.3165 -24.9448 -21.7761 -26.1899 33.8152 TIMING: 4406600 CPU: 13089.1, 0.0029337/step Wall: 13089.1, 0.0029337/step, 0.483572 hours remaining, 209.964844 MB of memory in use. ENERGY: 4406600 734.3584 2110.3288 1938.6028 108.9579 -206127.3633 17546.5242 0.0000 0.0000 34006.0476 -149682.5436 296.9833 -183688.5912 -149579.7763 298.1879 -115.9083 -85.9197 556407.6797 -1.2816 -1.4477 PRESSURE: 4406800 -63.0872 -141.855 155.622 -141.856 -87.5384 -16.0831 155.62 -16.085 36.8764 GPRESSURE: 4406800 -89.4655 -101.573 174.488 -166.237 -28.3411 -41.9144 131.132 9.3983 105.454 PRESSAVG: 4406800 -44.663 20.6801 12.405 20.6801 87.106 2.09496 12.4052 2.09498 -21.896 GPRESSAVG: 4406800 -44.9534 21.2501 12.394 21.9731 86.2031 -1.28951 12.3869 5.25319 -21.0711 TIMING: 4406800 CPU: 13089.7, 0.00294163/step Wall: 13089.7, 0.00294163/step, 0.484715 hours remaining, 209.964844 MB of memory in use. ENERGY: 4406800 763.3772 2116.6492 1932.3846 116.3601 -206476.9019 17855.2029 0.0000 0.0000 34162.8191 -149530.1087 298.3524 -183692.9278 -149434.5598 298.0299 -37.9164 -4.1174 556103.7494 6.8490 6.7262 PRESSURE: 4407000 -554.55 149.005 -8.54257 149.007 -208.309 -61.2315 -8.54184 -61.2324 131.873 GPRESSURE: 4407000 -511.526 114.961 33.9538 142.955 -165.773 -81.911 -66.1415 3.21987 159.748 PRESSAVG: 4407000 -75.8097 5.71626 -55.1842 5.71624 -8.64883 -15.7364 -55.1843 -15.7366 54.9393 GPRESSAVG: 4407000 -74.3843 4.76563 -52.8548 5.56422 -8.59811 -13.9952 -55.3269 -19.4088 53.9456 TIMING: 4407000 CPU: 13090.3, 0.00293637/step Wall: 13090.3, 0.00293637/step, 0.483685 hours remaining, 209.964844 MB of memory in use. ENERGY: 4407000 757.9819 2111.4736 1937.8786 117.2328 -206141.1420 17692.7656 0.0000 0.0000 34150.2118 -149373.5977 298.2423 -183523.8095 -149282.3054 298.6027 -210.3287 -172.5170 557865.1503 -9.8397 -9.6789 PRESSURE: 4407200 -166.325 38.2883 -72.0867 38.288 120.135 98.4355 -72.0865 98.4365 85.8338 GPRESSURE: 4407200 -107.265 72.772 -27.3465 -11.0715 217.739 40.16 -24.752 19.3216 19.9719 PRESSAVG: 4407200 -29.4304 14.8462 -18.3845 14.8463 55.2175 0.760137 -18.3847 0.760308 -9.59465 GPRESSAVG: 4407200 -28.9708 15.8118 -19.3956 14.7894 54.8385 1.44797 -18.2498 0.21332 -9.58668 TIMING: 4407200 CPU: 13090.9, 0.00293563/step Wall: 13090.9, 0.00293563/step, 0.4834 hours remaining, 209.964844 MB of memory in use. ENERGY: 4407200 771.3507 2115.6595 1957.6955 97.0053 -206411.4447 17890.2883 0.0000 0.0000 34200.9003 -149378.5451 298.6850 -183579.4453 -149276.9764 298.9468 13.2146 43.4819 558063.0783 5.3975 5.4270 PRESSURE: 4407400 128.194 51.9408 176.699 51.9412 -107.374 26.0472 176.698 26.0469 14.3586 GPRESSURE: 4407400 157.409 0.114606 209.99 60.2044 -56.6672 20.4139 176.017 -57.456 27.4316 PRESSAVG: 4407400 81.4217 -3.609 2.66017 -3.60906 4.66931 -38.6519 2.66013 -38.6519 -38.8107 GPRESSAVG: 4407400 81.0342 -7.07603 2.30561 -1.60234 4.30711 -39.638 4.44954 -35.8051 -38.3805 TIMING: 4407400 CPU: 13091.5, 0.00296892/step Wall: 13091.5, 0.00296892/step, 0.488717 hours remaining, 209.964844 MB of memory in use. ENERGY: 4407400 767.2252 2095.6805 1943.7577 111.3024 -206447.7279 17930.9601 0.0000 0.0000 34221.2233 -149377.5788 298.8625 -183598.8020 -149274.5371 298.8714 11.7263 42.7246 555778.9901 15.7601 15.6536 PRESSURE: 4407600 71.7473 -59.6939 215.069 -59.6945 -43.3589 56.5445 215.07 56.5443 304.984 GPRESSURE: 4407600 128.068 -50.32 222.246 -98.8539 13.4661 136.22 196.65 43.7672 291.257 PRESSAVG: 4407600 20.2134 -21.0709 47.0857 -21.0709 24.0376 -27.6221 47.0857 -27.622 -3.51422 GPRESSAVG: 4407600 20.0879 -19.3226 47.0194 -23.7406 24.8067 -27.5056 45.7298 -27.7299 -3.89279 TIMING: 4407600 CPU: 13092.1, 0.00294523/step Wall: 13092.1, 0.00294523/step, 0.484654 hours remaining, 209.964844 MB of memory in use. ENERGY: 4407600 734.6065 2184.5972 1918.6319 116.0669 -206424.2227 18034.2892 0.0000 0.0000 34222.9194 -149213.1116 298.8773 -183436.0310 -149121.1134 298.7691 111.1243 144.2637 556738.7140 13.5789 13.6673 PRESSURE: 4407800 350.716 -49.9888 -97.2326 -49.9877 92.4893 97.3795 -97.232 97.3802 -87.1293 GPRESSURE: 4407800 382.403 83.6885 -90.8686 -88.2598 124.477 26.0837 -54.5647 45.2705 -34.2787 PRESSAVG: 4407800 18.7688 20.2699 21.6035 20.2699 -12.708 29.2429 21.6034 29.2428 -11.3487 GPRESSAVG: 4407800 18.7068 22.6163 23.2209 19.4776 -12.3616 28.2284 22.2554 27.6344 -11.4841 TIMING: 4407800 CPU: 13092.7, 0.00293813/step Wall: 13092.7, 0.00293813/step, 0.483322 hours remaining, 209.964844 MB of memory in use. ENERGY: 4407800 750.7826 2164.2014 1948.7508 114.8108 -206280.2027 17953.9518 0.0000 0.0000 34336.1675 -149011.5378 299.8663 -183347.7053 -148904.8535 299.9169 118.6920 157.5335 556667.9346 -1.7626 -1.7130 PRESSURE: 4408000 -91.9779 -103.125 179.633 -103.126 -16.4329 -12.4366 179.632 -12.4371 -162.542 GPRESSURE: 4408000 -72.4646 -87.036 171.642 2.27662 77.599 49.1636 162.467 8.08601 -179.407 PRESSAVG: 4408000 41.2294 1.25034 20.4107 1.25029 12.6112 9.41317 20.4105 9.41327 -86.6854 GPRESSAVG: 4408000 42.3017 0.427964 18.9832 2.66061 11.4885 9.44698 21.5189 10.0046 -86.9452 TIMING: 4408000 CPU: 13093.3, 0.0029391/step Wall: 13093.3, 0.0029391/step, 0.483319 hours remaining, 209.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4408000 742.0765 2087.2737 1939.3102 119.0186 -205548.0825 17409.1377 0.0000 0.0000 34258.5383 -148992.7275 299.1883 -183251.2658 -148895.6135 299.3648 -90.3177 -58.0907 557733.8015 -10.9482 -11.0517 PRESSURE: 4408200 160.066 -100.305 134.519 -100.306 -73.0361 -30.6579 134.521 -30.6573 378.125 GPRESSURE: 4408200 220.642 -94.0646 137.554 -107.125 -21.4946 -44.9586 146.32 -94.8472 359.571 PRESSAVG: 4408200 116.038 -54.0726 -1.26986 -54.0727 -60.3643 22.3754 -1.26982 22.3753 -81.9982 GPRESSAVG: 4408200 115.066 -54.8636 -1.77661 -53.2156 -60.2232 23.4018 -2.56671 22.1045 -81.2941 TIMING: 4408200 CPU: 13093.8, 0.0029308/step Wall: 13093.8, 0.0029308/step, 0.481792 hours remaining, 209.964844 MB of memory in use. ENERGY: 4408200 711.6929 2067.4141 1965.8744 108.8533 -206184.1166 17964.3658 0.0000 0.0000 34426.4448 -148939.4713 300.6547 -183365.9161 -148845.2457 300.6904 155.0516 186.2394 558322.4721 -8.7747 -8.8172 LDB: ============= START OF LOAD BALANCING ============== 13097.4 LDB: ============== END OF LOAD BALANCING =============== 13097.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13097.4 LDB: ============= START OF LOAD BALANCING ============== 13097.7 LDB: Largest compute 4809 load 0.024079 is 20.4% of average load 0.118206 LDB: Average compute 0.001740 is 1.5% of average load 0.118206 LDB: TIME 13097.7 LOAD: AVG 0.118206 MAX 0.197975 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.727 MB LDB: TIME 13097.7 LOAD: AVG 0.118206 MAX 0.197975 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.727 MB LDB: TIME 13097.7 LOAD: AVG 0.118206 MAX 0.197975 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.727 MB LDB: ============== END OF LOAD BALANCING =============== 13097.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13097.7 PRESSURE: 4408400 276.206 75.8202 82.2589 75.8211 -57.8862 -6.25434 82.2588 -6.25306 141.26 GPRESSURE: 4408400 290.415 24.2165 0.442543 76.0012 -18.9098 17.6446 83.0265 -6.40248 187.626 PRESSAVG: 4408400 -13.3561 27.1866 44.8432 27.1866 -15.8451 7.82831 44.8432 7.82839 -3.86589 GPRESSAVG: 4408400 -13.8125 27.2082 45.2617 25.8119 -14.6591 6.3821 46.3763 8.45283 -4.32807 TIMING: 4408400 CPU: 13094.4, 0.00299756/step Wall: 13094.4, 0.00299756/step, 0.492599 hours remaining, 207.503906 MB of memory in use. ENERGY: 4408400 735.4404 2138.6731 1936.5211 106.6670 -206204.8470 17880.5136 0.0000 0.0000 34177.3369 -149229.6950 298.4792 -183407.0319 -149139.2540 299.6871 119.8597 153.0438 557213.3149 -11.0224 -10.9332 PRESSURE: 4408600 37.3137 16.8666 77.199 16.867 -49.7318 83.8826 77.1982 83.8817 116.384 GPRESSURE: 4408600 59.5224 32.6881 34.116 -36.1856 -29.9862 17.4212 52.6525 53.6392 171.184 PRESSAVG: 4408600 0.0932553 -9.14999 -11.585 -9.15001 3.45576 9.29359 -11.5849 9.29349 33.7266 GPRESSAVG: 4408600 0.603961 -8.82662 -13.2882 -8.58397 2.66572 9.2526 -12.0801 7.68995 34.532 TIMING: 4408600 CPU: 13095, 0.00294931/step Wall: 13095, 0.00294931/step, 0.484506 hours remaining, 207.707031 MB of memory in use. ENERGY: 4408600 774.2022 2144.8441 1950.6986 120.4716 -206295.0904 17810.1490 0.0000 0.0000 34300.3768 -149194.3481 299.5537 -183494.7249 -149094.8425 299.1846 34.6553 66.9066 557210.7096 12.4252 12.6006 PRESSURE: 4408800 -94.4884 -128.1 -27.8102 -128.1 24.8143 67.7043 -27.8098 67.7033 102.745 GPRESSURE: 4408800 -70.618 -127.431 -6.9352 -106.151 48.7597 23.9017 -5.3541 94.6724 151.663 PRESSAVG: 4408800 14.6493 -34.332 1.53632 -34.3321 29.3501 -40.2891 1.53625 -40.2891 -5.16481 GPRESSAVG: 4408800 14.8572 -35.0541 2.66548 -33.3906 28.035 -37.3366 3.40609 -40.6829 -4.28202 TIMING: 4408800 CPU: 13095.6, 0.00292418/step Wall: 13095.6, 0.00292418/step, 0.480215 hours remaining, 207.707031 MB of memory in use. ENERGY: 4408800 764.3787 2097.8206 1930.7703 114.1605 -206149.9280 17828.4898 0.0000 0.0000 34085.3154 -149328.9926 297.6755 -183414.3081 -149232.6926 299.2092 11.0236 43.2682 556770.9651 12.9449 12.8700 PRESSURE: 4409000 -330.995 -45.4198 153.985 -45.4197 -139.825 230.831 153.986 230.831 23.8914 GPRESSURE: 4409000 -319.286 -8.22578 139.548 -5.80457 -73.9049 183.07 216.515 247.422 40.7517 PRESSAVG: 4409000 -29.4386 -62.2765 -26.5567 -62.2766 45.4716 -16.7447 -26.5568 -16.7447 -2.33781 GPRESSAVG: 4409000 -29.5711 -61.9581 -23.8258 -62.3329 47.488 -18.7866 -30.1244 -14.6109 -4.71874 TIMING: 4409000 CPU: 13096.2, 0.00294525/step Wall: 13096.2, 0.00294525/step, 0.483512 hours remaining, 207.964844 MB of memory in use. ENERGY: 4409000 768.5355 2122.8329 1924.1834 108.1544 -206233.8855 17632.9136 0.0000 0.0000 34319.1666 -149358.0992 299.7178 -183677.2658 -149259.1124 298.5285 -148.9762 -117.4797 556774.0442 4.5651 4.3994 PRESSURE: 4409200 -192.736 -57.3056 -58.7314 -57.3042 -104.947 121.911 -58.7329 121.91 -155.358 GPRESSURE: 4409200 -136.532 -30.111 -123.124 -87.818 -83.2115 168.573 -47.0597 74.2905 -135.09 PRESSAVG: 4409200 -9.24099 22.7252 4.81215 22.7252 2.37687 14.9098 4.81209 14.91 -22.582 GPRESSAVG: 4409200 -9.40319 23.2305 3.75715 22.1704 1.52733 15.6601 6.84265 13.7578 -21.313 TIMING: 4409200 CPU: 13096.8, 0.00292632/step Wall: 13096.8, 0.00292632/step, 0.480242 hours remaining, 207.964844 MB of memory in use. ENERGY: 4409200 781.1791 2078.1651 1936.5271 117.1257 -206173.5460 17717.3854 0.0000 0.0000 34202.1074 -149341.0563 298.6955 -183543.1637 -149242.7023 298.6405 -151.0136 -118.2780 557803.8703 -9.8154 -9.7296 PRESSURE: 4409400 -163.597 100.203 -158.143 100.201 -106.677 52.0137 -158.144 52.0132 -152.573 GPRESSURE: 4409400 -72.4548 98.1124 -194.19 61.025 -117.684 -2.06653 -176.352 -13.315 -133.285 PRESSAVG: 4409400 62.2138 31.5406 11.8339 31.5406 -54.6046 -18.7728 11.8339 -18.7728 2.99125 GPRESSAVG: 4409400 63.2995 31.912 12.0829 30.0163 -55.0343 -20.1642 10.3647 -18.2674 2.54796 TIMING: 4409400 CPU: 13097.4, 0.00292364/step Wall: 13097.4, 0.00292364/step, 0.479639 hours remaining, 207.964844 MB of memory in use. ENERGY: 4409400 754.0865 2089.7484 1940.9071 116.6518 -206136.0378 17562.0341 0.0000 0.0000 34323.9082 -149348.7017 299.7592 -183672.6099 -149249.8939 298.8601 -140.9491 -107.8079 556937.7529 3.5335 3.6044 PRESSURE: 4409600 -104.221 9.31839 38.5807 9.31794 -173.878 28.2203 38.5823 28.2195 -99.0891 GPRESSURE: 4409600 -100.032 5.53831 19.7176 61.8309 -126.698 47.857 85.7368 -29.8739 -59.9521 PRESSAVG: 4409600 36.6661 55.4842 -18.9159 55.4841 -18.4419 -2.21481 -18.9161 -2.21497 -14.2475 GPRESSAVG: 4409600 35.9362 55.1346 -19.4267 58.1731 -17.8156 -2.30702 -17.5933 -2.83394 -13.6738 TIMING: 4409600 CPU: 13098, 0.00295089/step Wall: 13098, 0.00295089/step, 0.483945 hours remaining, 207.964844 MB of memory in use. ENERGY: 4409600 734.5711 2072.4123 1959.9200 115.2523 -206173.8262 17564.8409 0.0000 0.0000 34336.5353 -149390.2942 299.8695 -183726.8295 -149295.0837 299.6693 -125.7294 -95.5606 557321.4354 1.3255 1.4822 PRESSURE: 4409800 -31.5696 132.962 7.10872 132.961 98.8779 28.662 7.10901 28.6624 203.752 GPRESSURE: 4409800 -17.0817 151.959 -41.4802 95.0939 165.426 72.7156 64.7076 -20.4188 220.239 PRESSAVG: 4409800 8.18112 75.1359 22.1864 75.1358 -38.0713 -36.2744 22.1864 -36.2743 40.3279 GPRESSAVG: 4409800 7.65007 73.8844 21.799 76.1054 -38.1783 -35.7645 23.5686 -35.7807 41.1504 TIMING: 4409800 CPU: 13098.6, 0.00294144/step Wall: 13098.6, 0.00294144/step, 0.482232 hours remaining, 207.964844 MB of memory in use. ENERGY: 4409800 705.9878 2106.4036 1958.2921 101.5980 -206480.4680 17972.2179 0.0000 0.0000 34304.1349 -149331.8337 299.5865 -183635.9686 -149238.4172 298.8841 90.3533 122.8611 557693.4053 3.4793 3.5407 PRESSURE: 4410000 -184.519 149.334 77.658 149.334 -198.648 105.073 77.6568 105.072 -230.769 GPRESSURE: 4410000 -105.473 158.939 52.4461 62.0312 -196.23 54.2072 124.709 114.576 -201.789 PRESSAVG: 4410000 -28.4973 54.8306 -24.6627 54.8306 -70.2065 36.0319 -24.6626 36.0319 55.3084 GPRESSAVG: 4410000 -27.1905 56.5191 -23.4526 52.7143 -71.5468 35.6308 -28.7428 37.4968 55.0227 TIMING: 4410000 CPU: 13099.1, 0.00291327/step Wall: 13099.1, 0.00291327/step, 0.477453 hours remaining, 207.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4410000 746.7167 2106.4738 1955.8651 116.6945 -205886.1617 17562.4569 0.0000 0.0000 34070.3484 -149327.6063 297.5448 -183397.9548 -149230.2967 299.0845 -204.6451 -167.8308 557958.5607 -14.4651 -14.5715 PRESSURE: 4410200 89.507 -103.404 -114.816 -103.405 -269.874 97.6785 -114.817 97.6798 -150.605 GPRESSURE: 4410200 138.065 -14.5806 -163.098 -90.7503 -215.154 13.3892 -132.915 124.132 -153.039 PRESSAVG: 4410200 1.95967 30.0097 5.20962 30.0098 -36.2924 64.0141 5.20952 64.0142 58.2492 GPRESSAVG: 4410200 1.10605 27.9554 4.47333 31.1342 -35.0566 64.5594 7.81584 62.6672 57.9823 TIMING: 4410200 CPU: 13099.7, 0.00295226/step Wall: 13099.7, 0.00295226/step, 0.483679 hours remaining, 207.964844 MB of memory in use. ENERGY: 4410200 731.2818 2113.7676 1952.6217 121.7502 -206171.5070 17673.2944 0.0000 0.0000 34266.1669 -149312.6244 299.2550 -183578.7913 -149221.3453 299.0992 -110.3243 -76.7095 558081.9923 7.9721 8.0106 PRESSURE: 4410400 -200.356 -146.636 -165.361 -146.636 -135.578 77.0727 -165.361 77.0721 -24.6562 GPRESSURE: 4410400 -164.37 -43.8042 -189.6 -224.306 -134.008 140.334 -59.8921 31.9358 31.0243 PRESSAVG: 4410400 6.54079 -79.9312 -37.9546 -79.9311 39.4106 22.7796 -37.9546 22.7796 -6.30976 GPRESSAVG: 4410400 5.87881 -78.0758 -38.3625 -79.3606 40.226 24.8366 -38.2997 22.2518 -5.94104 TIMING: 4410400 CPU: 13100.3, 0.00293157/step Wall: 13100.3, 0.00293157/step, 0.480125 hours remaining, 207.964844 MB of memory in use. ENERGY: 4410400 745.0277 2095.0226 1941.8197 115.9921 -205818.5278 17447.2177 0.0000 0.0000 34322.9495 -149150.4985 299.7509 -183473.4480 -149049.9926 299.0767 -120.1967 -89.1181 556258.0427 13.2139 13.3879 PRESSURE: 4410600 -45.224 223.271 -170.684 223.272 -56.079 38.3503 -170.682 38.3485 29.4781 GPRESSURE: 4410600 -26.2231 215.392 -117.154 182.542 -69.4189 -9.23405 -199.153 101.881 129.939 PRESSAVG: 4410600 -5.72027 -43.1073 -45.3214 -43.1071 28.3723 -14.3215 -45.3213 -14.3216 -57.9529 GPRESSAVG: 4410600 -5.78704 -43.9647 -44.5168 -43.468 27.4298 -15.5476 -46.6303 -13.6231 -57.0094 TIMING: 4410600 CPU: 13100.9, 0.00294601/step Wall: 13100.9, 0.00294601/step, 0.482327 hours remaining, 207.964844 MB of memory in use. ENERGY: 4410600 754.8255 2103.7170 1948.0293 106.0906 -206272.1020 17917.2903 0.0000 0.0000 34289.9326 -149152.2167 299.4625 -183442.1493 -149053.1747 299.2507 -23.9416 11.4324 558169.4364 -11.7670 -11.7889 PRESSURE: 4410800 0.294356 -26.36 2.46826 -26.3605 198.573 -52.1744 2.46868 -52.1769 131.83 GPRESSURE: 4410800 43.5093 -34.4556 -15.293 2.92529 275.333 -27.2558 -59.9823 -50.7563 114.944 PRESSAVG: 4410800 28.9505 -38.1667 13.9613 -38.1668 -35.8488 -28.063 13.9613 -28.063 58.8967 GPRESSAVG: 4410800 29.9257 -38.4025 13.4985 -38.1904 -35.6019 -30.2046 13.2822 -25.8347 57.8321 TIMING: 4410800 CPU: 13101.5, 0.00293653/step Wall: 13101.5, 0.00293654/step, 0.480613 hours remaining, 207.964844 MB of memory in use. ENERGY: 4410800 735.8624 2108.3155 1947.1800 101.0609 -206258.4735 17871.9795 0.0000 0.0000 34327.7526 -149166.3225 299.7928 -183494.0751 -149076.4552 299.1668 110.2326 144.5957 555766.2890 17.3328 17.3853 PRESSURE: 4411000 -111.543 29.7446 19.0149 29.7457 -502.879 -237.755 19.015 -237.753 -76.4489 GPRESSURE: 4411000 -49.3026 48.0702 -9.79635 -8.90259 -434.521 -212.118 47.1592 -240.98 -119.543 PRESSAVG: 4411000 -60.3548 -14.0873 -27.066 -14.0873 3.00947 -41.0086 -27.066 -41.0086 29.5736 GPRESSAVG: 4411000 -60.9652 -15.1329 -25.9196 -14.1136 2.29791 -40.2511 -26.4732 -43.4933 30.7118 TIMING: 4411000 CPU: 13102.1, 0.00293831/step Wall: 13102.1, 0.00293831/step, 0.48074 hours remaining, 207.964844 MB of memory in use. ENERGY: 4411000 734.6826 2088.1535 1919.4875 115.3194 -205289.1472 17280.0668 0.0000 0.0000 34028.2975 -149123.1399 297.1776 -183151.4374 -149025.9234 299.2835 -230.2900 -201.1223 558185.3971 -9.2572 -9.3185 PRESSURE: 4411200 290.852 139.495 -2.81269 139.495 39.3002 -138.55 -2.81171 -138.552 17.7198 GPRESSURE: 4411200 317.667 106.218 2.21703 178.321 46.1577 -201.999 8.11302 -123.975 69.9245 PRESSAVG: 4411200 24.3862 -22.4996 36.6903 -22.4996 -29.2486 -27.1449 36.6903 -27.1449 40.1116 GPRESSAVG: 4411200 25.6922 -20.3434 34.5815 -23.8926 -29.7186 -26.9948 39.0297 -24.8537 39.8264 TIMING: 4411200 CPU: 13102.7, 0.00294745/step Wall: 13102.7, 0.00294745/step, 0.482072 hours remaining, 207.964844 MB of memory in use. ENERGY: 4411200 741.2688 2107.4352 1955.6106 104.3368 -206150.1747 17838.6459 0.0000 0.0000 34203.9821 -149198.8952 298.7119 -183402.8773 -149102.9899 299.7505 115.9575 144.5831 556012.2953 11.7497 11.9334 PRESSURE: 4411400 -317.808 69.7311 -136.438 69.7308 -168.534 41.6356 -136.44 41.6376 -217.097 GPRESSURE: 4411400 -356.511 75.9019 -184.598 63.3144 -50.7062 109.875 -139.419 11.0838 -202.494 PRESSAVG: 4411400 -5.80731 -10.9734 69.7856 -10.9733 26.2845 -51.171 69.7857 -51.1709 -30.7517 GPRESSAVG: 4411400 -5.59317 -9.9375 68.9645 -11.2791 26.6418 -51.1903 69.3489 -52.5256 -31.6268 TIMING: 4411400 CPU: 13103.3, 0.00293629/step Wall: 13103.3, 0.00293629/step, 0.480084 hours remaining, 207.964844 MB of memory in use. ENERGY: 4411400 795.1166 2140.8194 1925.2258 117.9811 -206156.5484 17464.2539 0.0000 0.0000 34370.0439 -149343.1076 300.1621 -183713.1515 -149245.5182 300.1203 -234.4796 -203.2374 556950.3580 -3.4249 -3.5260 PRESSURE: 4411600 -61.2771 25.186 -56.2516 25.1858 -279.116 -58.8938 -56.2527 -58.8941 -7.79948 GPRESSURE: 4411600 -43.4762 46.4554 -23.1486 44.8014 -227.401 -35.35 -95.1028 -55.2633 7.51023 PRESSAVG: 4411600 8.14229 18.0652 6.231 18.0654 22.6704 -56.258 6.23092 -56.2581 -21.6732 GPRESSAVG: 4411600 7.90461 16.6108 6.66457 20.6854 23.675 -56.422 6.11239 -56.2587 -22.2171 TIMING: 4411600 CPU: 13103.8, 0.00290985/step Wall: 13103.8, 0.00290985/step, 0.475598 hours remaining, 207.964844 MB of memory in use. ENERGY: 4411600 751.2429 2119.6741 1915.2772 115.6868 -206524.1793 17682.1080 0.0000 0.0000 34498.0150 -149442.1752 301.2797 -183940.1902 -149340.6235 299.6768 -116.0644 -87.7890 557136.3950 3.0465 3.1208 PRESSURE: 4411800 38.4244 3.43735 81.6846 3.43633 -238.015 -2.97021 81.6832 -2.97053 -61.0181 GPRESSURE: 4411800 109.375 -17.869 120.677 58.265 -193.193 28.3416 83.934 -84.9935 -79.6864 PRESSAVG: 4411800 21.262 -18.5974 -13.7352 -18.5975 -37.7524 26.0264 -13.7352 26.0264 -29.2475 GPRESSAVG: 4411800 20.5388 -18.7838 -13.2348 -18.2007 -37.8939 26.5296 -12.5037 27.1828 -28.8361 TIMING: 4411800 CPU: 13104.4, 0.0029568/step Wall: 13104.4, 0.0029568/step, 0.483108 hours remaining, 207.964844 MB of memory in use. ENERGY: 4411800 752.1917 2105.8986 1941.0140 117.8074 -205898.9658 17486.5363 0.0000 0.0000 34108.9390 -149386.5789 297.8818 -183495.5179 -149292.4707 298.9679 -86.8694 -54.5015 557751.0226 -15.2460 -15.3971 PRESSURE: 4412000 -49.6515 23.5482 20.0096 23.5484 -40.3479 100.666 20.009 100.665 23.6818 GPRESSURE: 4412000 -26.2019 101.602 -18.0556 31.4354 -3.13882 135.193 125.741 100.526 56.6757 PRESSAVG: 4412000 11.3072 -43.3538 9.86034 -43.354 41.84 -44.2441 9.8604 -44.2441 -83.0882 GPRESSAVG: 4412000 11.6839 -43.7412 11.1439 -42.1223 39.1631 -44.0222 9.61523 -46.12 -81.4688 TIMING: 4412000 CPU: 13105, 0.00293962/step Wall: 13105, 0.00293962/step, 0.480138 hours remaining, 207.964844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4412000 724.9267 2087.6213 1934.9206 120.3188 -205964.1547 17566.0053 0.0000 0.0000 34315.8485 -149214.5136 299.6888 -183530.3621 -149116.8624 298.4999 -22.1059 9.1117 558294.4676 -9.9803 -10.2073 PRESSURE: 4412200 71.2074 -99.6708 -1.71895 -99.6721 -378.417 80.09 -1.71946 80.0894 -76.2333 GPRESSURE: 4412200 79.4458 -15.3721 -14.2334 -177.57 -324.568 164.953 25.1793 38.9218 -40.2947 PRESSAVG: 4412200 12.0193 -23.4772 -12.0917 -23.4774 13.679 -15.7458 -12.0916 -15.7457 6.81755 GPRESSAVG: 4412200 11.4422 -23.7354 -13.222 -25.5922 15.838 -16.287 -12.7995 -15.6948 5.77972 TIMING: 4412200 CPU: 13105.6, 0.00293759/step Wall: 13105.6, 0.0029376/step, 0.479644 hours remaining, 207.964844 MB of memory in use. ENERGY: 4412200 742.1212 2134.0334 1937.7206 112.0721 -206222.7639 17780.4614 0.0000 0.0000 34243.9176 -149272.4375 299.0606 -183516.3551 -149181.6172 298.9841 -127.8142 -95.1390 557620.1731 10.8386 11.0200 LDB: ============= START OF LOAD BALANCING ============== 13109.1 LDB: ============== END OF LOAD BALANCING =============== 13109.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13109.1 LDB: ============= START OF LOAD BALANCING ============== 13109.4 LDB: Largest compute 4809 load 0.022172 is 18.8% of average load 0.118143 LDB: Average compute 0.001741 is 1.5% of average load 0.118143 LDB: TIME 13109.4 LOAD: AVG 0.118143 MAX 0.195085 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.52 MB LDB: TIME 13109.4 LOAD: AVG 0.118143 MAX 0.195085 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.719 MB LDB: TIME 13109.4 LOAD: AVG 0.118143 MAX 0.195085 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.719 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13109.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13109.5 PRESSURE: 4412400 -170.55 -48.3836 -74.2418 -48.3835 -107.741 102.299 -74.2393 102.3 79.5727 GPRESSURE: 4412400 -107.338 39.9104 -121.395 -107.703 -107.063 8.28411 -58.6321 89.9755 127.367 PRESSAVG: 4412400 -10.7266 -68.3164 28.2842 -68.3163 51.8618 -12.2474 28.2841 -12.2475 -24.6497 GPRESSAVG: 4412400 -9.98722 -67.2208 28.5517 -67.7033 51.2036 -12.6993 28.1523 -12.1636 -24.9514 TIMING: 4412400 CPU: 13106.2, 0.00299196/step Wall: 13106.2, 0.00299196/step, 0.488354 hours remaining, 209.054688 MB of memory in use. ENERGY: 4412400 770.2743 2102.9326 1901.4784 110.4294 -205995.6441 17630.0676 0.0000 0.0000 34250.9580 -149229.5038 299.1221 -183480.4618 -149132.8997 299.7924 -66.2393 -29.0110 556154.3310 5.4952 5.4217 PRESSURE: 4412600 -213.198 60.0239 -157.113 60.0238 -122.976 -6.08726 -157.113 -6.08551 -63.2552 GPRESSURE: 4412600 -192.245 -2.78717 -177.175 110.88 -112.236 52.9165 -144.058 57.4184 -2.15807 PRESSAVG: 4412600 -50.0548 -6.48017 24.5422 -6.48012 -27.1925 20.6086 24.5421 20.6086 60.2157 GPRESSAVG: 4412600 -50.3744 -7.50826 23.8886 -6.2685 -27.0505 19.9095 23.378 22.5522 60.638 TIMING: 4412600 CPU: 13106.8, 0.00293419/step Wall: 13106.8, 0.00293419/step, 0.478761 hours remaining, 209.054688 MB of memory in use. ENERGY: 4412600 776.5068 2084.5188 1941.3366 105.5081 -206009.6729 17668.6575 0.0000 0.0000 34186.3399 -149246.8052 298.5578 -183433.1451 -149155.1460 299.3310 -133.1429 -102.2130 559253.5535 -5.6772 -5.5956 PRESSURE: 4412800 -321.239 1.73383 -20.0476 1.73226 -63.494 -67.834 -20.0475 -67.8321 -170.665 GPRESSURE: 4412800 -249.13 -31.1084 -51.6338 -22.8648 -56.1748 -63.9659 -81.0606 2.688 -159.561 PRESSAVG: 4412800 5.41335 11.1684 -0.0776286 11.1685 -49.7014 33.6685 -0.0776697 33.6685 50.0495 GPRESSAVG: 4412800 5.28548 10.8989 1.02835 9.56315 -49.7799 34.0333 0.455754 31.3827 50.3202 TIMING: 4412800 CPU: 13107.4, 0.00293281/step Wall: 13107.4, 0.00293281/step, 0.478374 hours remaining, 209.054688 MB of memory in use. ENERGY: 4412800 748.3034 2146.0555 1964.9363 114.5080 -206048.0017 17630.7109 0.0000 0.0000 34309.2522 -149134.2354 299.6312 -183443.4876 -149036.7729 299.0386 -185.1329 -154.9551 559534.6273 1.9205 1.9419 PRESSURE: 4413000 98.3017 152.593 -106.755 152.593 90.6869 -5.23885 -106.754 -5.24053 -35.6246 GPRESSURE: 4413000 119.943 175.348 -117.43 132.722 135.978 41.523 -149.098 38.6384 5.03739 PRESSAVG: 4413000 -37.0845 3.75951 23.3392 3.75953 -21.7496 -32.2579 23.3392 -32.258 54.1743 GPRESSAVG: 4413000 -36.0705 5.5538 23.6712 2.77669 -21.3456 -28.2904 23.0103 -32.424 52.8538 TIMING: 4413000 CPU: 13108, 0.00292714/step Wall: 13108, 0.00292714/step, 0.477286 hours remaining, 209.312500 MB of memory in use. ENERGY: 4413000 709.3459 2131.1482 1944.8416 116.0476 -206271.3783 17930.1189 0.0000 0.0000 34273.1993 -149166.6768 299.3164 -183439.8762 -149069.9559 299.0068 51.1213 86.9863 557606.5602 -1.5533 -1.5208 PRESSURE: 4413200 -174.525 105.682 -8.33915 105.682 -168.633 -72.3381 -8.34037 -72.3383 170.476 GPRESSURE: 4413200 -126.298 144.044 -33.7944 72.9581 -162.717 80.7145 -114.467 -139.621 207.623 PRESSAVG: 4413200 7.19287 88.0724 -32.8762 88.0725 35.7949 26.7178 -32.8762 26.7178 11.8472 GPRESSAVG: 4413200 6.17547 86.7741 -32.5948 90.1425 36.1013 25.334 -32.6313 28.2101 11.9457 TIMING: 4413200 CPU: 13108.5, 0.00292392/step Wall: 13108.5, 0.00292392/step, 0.476599 hours remaining, 209.312500 MB of memory in use. ENERGY: 4413200 709.0888 2130.2247 1951.7604 106.4491 -206320.6728 17752.8345 0.0000 0.0000 34373.7878 -149296.5275 300.1948 -183670.3153 -149201.1810 299.5555 -57.5605 -27.1305 556086.2219 18.2783 18.0742 PRESSURE: 4413400 -20.0114 112.466 66.5916 112.466 132.892 -37.9425 66.591 -37.941 101.797 GPRESSURE: 4413400 60.5135 91.3151 83.4326 162.041 151.493 27.3632 61.1485 -75.7814 93.7783 PRESSAVG: 4413400 -9.51832 33.2507 29.2051 33.2507 14.9171 13.9794 29.2053 13.9794 -65.4969 GPRESSAVG: 4413400 -9.28658 32.5312 28.0007 32.4367 14.1289 12.4709 29.5318 14.9968 -64.6349 TIMING: 4413400 CPU: 13109.1, 0.00294172/step Wall: 13109.1, 0.00294172/step, 0.479336 hours remaining, 209.312500 MB of memory in use. ENERGY: 4413400 764.2478 2098.0534 1928.6178 111.1133 -206565.9895 18017.1753 0.0000 0.0000 34180.9820 -149465.7999 298.5110 -183646.7819 -149375.5232 298.9186 71.5593 101.9283 556741.1783 -20.0327 -19.9308 PRESSURE: 4413600 263.988 73.9748 237.667 73.9738 -113.866 115.676 237.665 115.676 -84.8002 GPRESSURE: 4413600 276.147 107.134 287.775 22.666 -33.6687 161.626 200.534 -45.4659 -77.2605 PRESSAVG: 4413600 65.5239 27.0792 55.6094 27.0792 -18.0521 -3.03968 55.6094 -3.03965 -80.266 GPRESSAVG: 4413600 64.9303 26.8429 56.191 28.824 -17.3536 -0.619858 53.8328 -4.94499 -81.2157 TIMING: 4413600 CPU: 13109.7, 0.00294124/step Wall: 13109.7, 0.00294124/step, 0.479096 hours remaining, 209.312500 MB of memory in use. ENERGY: 4413600 720.1854 2051.9163 1920.2725 109.7687 -206068.7758 17767.0520 0.0000 0.0000 34116.6925 -149382.8885 297.9496 -183499.5810 -149284.0774 298.9887 21.7739 55.0724 557954.4826 -10.9314 -11.2130 PRESSURE: 4413800 268.55 80.1546 -156.046 80.1547 6.50075 -31.3537 -156.046 -31.3553 346.975 GPRESSURE: 4413800 283.38 126.769 -150.877 40.1998 87.4621 -30.1179 -117.527 9.33451 343.371 PRESSAVG: 4413800 49.9414 11.8964 -22.6995 11.8964 -8.89475 34.3397 -22.6995 34.3396 -5.74524 GPRESSAVG: 4413800 51.166 10.9438 -25.8251 12.957 -9.61737 33.9568 -20.18 32.6544 -6.1737 TIMING: 4413800 CPU: 13110.3, 0.00292825/step Wall: 13110.3, 0.00292825/step, 0.476817 hours remaining, 209.312500 MB of memory in use. ENERGY: 4413800 740.3597 2050.5480 1922.6061 102.5538 -206335.5316 17993.2795 0.0000 0.0000 34199.3950 -149326.7897 298.6718 -183526.1847 -149233.7197 298.3034 207.3418 238.0711 557578.3139 11.7672 11.7917 PRESSURE: 4414000 -28.1087 89.7083 -201.113 89.7074 -17.9988 102.716 -201.111 102.717 -99.6929 GPRESSURE: 4414000 -10.7656 82.0959 -151.348 93.7545 29.8763 23.9572 -275.26 194.059 -71.1064 PRESSAVG: 4414000 27.7405 -18.8987 -58.004 -18.8987 -1.52928 12.2082 -58.0039 12.2084 -16.6863 GPRESSAVG: 4414000 26.2607 -17.9604 -55.6534 -20.9669 -0.852405 12.4279 -59.7835 14.4277 -15.8696 TIMING: 4414000 CPU: 13110.9, 0.00292409/step Wall: 13110.9, 0.00292409/step, 0.475977 hours remaining, 209.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4414000 777.1205 2006.9574 1949.3324 127.2163 -206497.1581 18015.1253 0.0000 0.0000 34322.1497 -149299.2564 299.7439 -183621.4061 -149203.6965 298.7252 -48.6001 -17.3319 558996.0298 3.1750 3.1796 PRESSURE: 4414200 36.091 -47.3354 -109.375 -47.3361 -15.6131 49.9508 -109.373 49.9498 22.1716 GPRESSURE: 4414200 50.6804 8.22714 -106.651 -86.3034 20.1885 62.0457 -31.7083 -53.266 70.8276 PRESSAVG: 4414200 -10.768 -10.0935 -60.3746 -10.0934 -28.0546 -50.7358 -60.3745 -50.7357 27.8518 GPRESSAVG: 4414200 -10.7663 -10.8024 -60.8125 -8.2882 -28.1154 -50.942 -56.9264 -51.7219 28.1273 TIMING: 4414200 CPU: 13111.5, 0.00292051/step Wall: 13111.5, 0.00292051/step, 0.475231 hours remaining, 209.312500 MB of memory in use. ENERGY: 4414200 688.1949 2058.4051 1912.9627 110.5837 -206105.0107 17679.7536 0.0000 0.0000 34198.4587 -149456.6520 298.6636 -183655.1107 -149357.4889 298.5685 14.2165 47.2322 560074.9970 -3.6569 -3.5848 PRESSURE: 4414400 -126.847 -106.849 -8.81265 -106.849 88.3855 58.2993 -8.81223 58.2998 -105.508 GPRESSURE: 4414400 -70.9012 -117.632 -6.41947 -100.806 48.8635 -14.017 35.3737 149.921 -22.4812 PRESSAVG: 4414400 -33.2234 -28.4847 -21.3176 -28.4846 0.263704 30.6559 -21.3176 30.656 21.7763 GPRESSAVG: 4414400 -32.8737 -29.0461 -20.5279 -28.3901 -0.65406 28.7977 -24.9977 32.5275 22.5931 TIMING: 4414400 CPU: 13112.1, 0.00293741/step Wall: 13112.1, 0.00293741/step, 0.477819 hours remaining, 209.312500 MB of memory in use. ENERGY: 4414400 732.3011 2092.7426 1922.0598 120.1596 -206016.3455 17619.1375 0.0000 0.0000 34170.4199 -149359.5248 298.4188 -183529.9447 -149263.2410 298.5041 -47.9900 -14.8396 556453.0767 -3.7278 -3.6449 PRESSURE: 4414600 91.4049 -14.037 101.851 -14.0365 -310.027 -29.8336 101.851 -29.8339 -234.597 GPRESSURE: 4414600 97.3923 -37.0356 33.9027 -57.4334 -267.485 -7.25862 120.201 29.6314 -185 PRESSAVG: 4414600 52.4297 -13.0449 -15.5057 -13.045 -30.3314 11.7284 -15.5057 11.7285 -36.8336 GPRESSAVG: 4414600 51.8912 -10.4977 -19.3026 -15.6197 -29.7983 10.9628 -12.3553 12.3477 -36.5425 TIMING: 4414600 CPU: 13112.6, 0.00291219/step Wall: 13112.6, 0.00291219/step, 0.473554 hours remaining, 209.312500 MB of memory in use. ENERGY: 4414600 783.3631 2048.7495 1923.1719 120.5947 -206110.9478 17610.4403 0.0000 0.0000 34165.2657 -149459.3625 298.3738 -183624.6283 -149359.7753 298.3639 -151.0729 -118.3644 556339.1688 -4.9118 -4.8165 PRESSURE: 4414800 113.828 -83.5852 -88.6119 -83.5865 179.848 -26.4853 -88.6127 -26.4859 0.0197839 GPRESSURE: 4414800 98.7171 -53.3379 -33.6907 -163.296 219.959 -39.9041 -118.724 17.803 78.5048 PRESSAVG: 4414800 50.455 -1.72841 -13.7158 -1.72838 -27.536 1.39477 -13.7159 1.39479 -10.3894 GPRESSAVG: 4414800 50.9576 -3.19353 -10.8702 -0.042631 -27.9181 2.58359 -15.85 1.38629 -10.5838 TIMING: 4414800 CPU: 13113.2, 0.00290799/step Wall: 13113.2, 0.00290799/step, 0.472711 hours remaining, 209.312500 MB of memory in use. ENERGY: 4414800 711.7198 2050.0993 1932.3759 123.5136 -206564.6188 17842.7188 0.0000 0.0000 34333.3771 -149570.8143 299.8419 -183904.1914 -149473.8842 298.7337 97.8988 132.3937 555364.3250 4.1765 4.1519 PRESSURE: 4415000 -290.413 -154.783 214.447 -154.782 36.2212 -21.1784 214.446 -21.1794 75.9724 GPRESSURE: 4415000 -239.397 -127.678 186.604 -157.563 80.2527 57.7317 254.361 -29.076 76.345 PRESSAVG: 4415000 31.4671 31.2718 11.3373 31.2719 -36.037 9.84341 11.3373 9.84351 28.8065 GPRESSAVG: 4415000 30.5897 31.346 11.5061 30.5325 -35.1324 8.14834 11.0574 10.139 28.5394 TIMING: 4415000 CPU: 13113.8, 0.00291345/step Wall: 13113.8, 0.00291345/step, 0.473436 hours remaining, 209.312500 MB of memory in use. ENERGY: 4415000 746.7372 2077.5127 1937.8679 108.7974 -206602.8491 17979.4421 0.0000 0.0000 34136.6455 -149615.8464 298.1238 -183752.4918 -149514.1200 298.4641 -59.4065 -27.5997 555863.8896 8.0789 7.9989 PRESSURE: 4415200 20.7493 -79.2506 67.9288 -79.2519 73.3023 137.477 67.9279 137.477 115.972 GPRESSURE: 4415200 69.0712 -126.05 40.99 -1.5989 99.5981 130.544 43.8364 134.616 142.937 PRESSAVG: 4415200 17.1933 66.2089 -8.13715 66.2089 -43.9146 43.6628 -8.13712 43.6627 51.2057 GPRESSAVG: 4415200 16.9927 65.7972 -9.06388 67.6542 -43.0463 45.2969 -6.91369 42.4954 50.4139 TIMING: 4415200 CPU: 13114.4, 0.00293161/step Wall: 13114.4, 0.00293161/step, 0.476223 hours remaining, 209.312500 MB of memory in use. ENERGY: 4415200 736.9523 2072.4180 1936.3309 114.0482 -206515.5444 17930.3145 0.0000 0.0000 34267.4163 -149458.0642 299.2659 -183725.4804 -149363.5199 298.2650 70.0078 103.8688 557003.0313 8.1615 8.1201 PRESSURE: 4415400 -311.687 77.7068 138.592 77.7063 42.4917 169.47 138.592 169.471 -236.9 GPRESSURE: 4415400 -270.259 199.562 173.81 8.93574 79.5023 151.76 99.0469 217.172 -220.124 PRESSAVG: 4415400 -33.1541 -3.62577 25.6211 -3.62586 -34.7132 83.2099 25.6212 83.21 34.7488 GPRESSAVG: 4415400 -32.6344 -2.08327 25.6347 -4.9199 -35.2371 81.8409 25.7634 83.0152 34.9631 TIMING: 4415400 CPU: 13115, 0.00291279/step Wall: 13115, 0.00291279/step, 0.473005 hours remaining, 209.312500 MB of memory in use. ENERGY: 4415400 717.1719 2071.4834 1928.4929 115.5947 -206170.8219 17686.9475 0.0000 0.0000 34263.0253 -149388.1063 299.2275 -183651.1315 -149281.8139 298.1738 -168.6985 -136.9603 557469.7515 -11.0395 -10.9695 PRESSURE: 4415600 -34.6645 15.3262 -189.167 15.326 -77.746 -91.6828 -189.167 -91.685 -105.505 GPRESSURE: 4415600 -26.9735 -42.6379 -183.302 -24.0846 -57.4021 -6.87161 -152.668 -103.047 -38.1388 PRESSAVG: 4415600 -19.0765 -0.405733 -39.0705 -0.405696 7.82604 -63.853 -39.0705 -63.853 19.7272 GPRESSAVG: 4415600 -18.9935 -1.71543 -39.6665 -0.42115 7.42809 -66.3907 -38.9795 -61.8761 20.067 TIMING: 4415600 CPU: 13115.6, 0.00289641/step Wall: 13115.6, 0.00289641/step, 0.470184 hours remaining, 209.312500 MB of memory in use. ENERGY: 4415600 775.0654 2099.9471 1961.5467 113.6143 -206646.0013 17904.7854 0.0000 0.0000 34244.6224 -149546.4200 299.0668 -183791.0424 -149455.7932 298.5791 -72.6385 -40.8381 557070.5766 2.8256 2.8339 PRESSURE: 4415800 -285.856 10.5327 179.577 10.5315 -130.707 6.29738 179.577 6.29752 -132.055 GPRESSURE: 4415800 -213.12 -35.1226 131.11 34.504 -143.39 77.0327 206.544 -54.2574 -93.3841 PRESSAVG: 4415800 63.0276 -16.9265 -11.3319 -16.9265 -16.6161 16.0448 -11.3319 16.0449 -51.8466 GPRESSAVG: 4415800 63.7381 -17.7417 -11.1416 -16.9598 -16.3224 21.48 -12.4176 12.9357 -53.4145 TIMING: 4415800 CPU: 13116.1, 0.00291913/step Wall: 13116.1, 0.00291913/step, 0.47371 hours remaining, 209.312500 MB of memory in use. ENERGY: 4415800 748.6768 2078.0043 1974.3645 106.8604 -206038.7066 17705.5764 0.0000 0.0000 34082.4443 -149342.7798 297.6505 -183425.2241 -149247.8420 298.5038 -182.8725 -149.9649 558627.4595 -1.8117 -1.9996 PRESSURE: 4416000 221.856 -70.1629 -65.8625 -70.162 -120.641 -106.257 -65.8628 -106.257 212.761 GPRESSURE: 4416000 260.814 -76.5606 -66.0947 -102.47 -85.6592 -154.595 -74.0676 -83.4746 230.577 PRESSAVG: 4416000 78.7485 0.904356 -14.6103 0.904325 -18.6485 -47.446 -14.6103 -47.4461 -47.5659 GPRESSAVG: 4416000 77.7782 0.10569 -12.7737 2.45128 -18.4951 -49.6592 -13.4956 -44.9536 -47.2443 TIMING: 4416000 CPU: 13116.7, 0.00294958/step Wall: 13116.7, 0.00294958/step, 0.478488 hours remaining, 209.312500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4416000 709.9175 2118.2084 1947.3969 122.9758 -206019.8669 17772.1284 0.0000 0.0000 34127.3287 -149221.9113 298.0424 -183349.2400 -149126.2933 299.5524 104.6586 135.2438 556733.6711 4.1780 4.0129 PRESSURE: 4416200 -13.4389 -33.3141 -138.684 -33.3139 -172.245 142.661 -138.685 142.661 -197.712 GPRESSURE: 4416200 30.1093 -19.7353 -116.468 -19.8007 -122.631 148.259 -49.2572 30.8779 -189.97 PRESSAVG: 4416200 12.2502 9.688 -68.2693 9.68796 -28.0155 49.9951 -68.2692 49.9951 52.3328 GPRESSAVG: 4416200 12.2186 10.9098 -69.8527 7.73069 -28.4885 51.2322 -68.6276 47.8643 52.4953 TIMING: 4416200 CPU: 13117.3, 0.00291836/step Wall: 13117.3, 0.00291836/step, 0.473261 hours remaining, 209.312500 MB of memory in use. ENERGY: 4416200 746.2085 2071.3609 1990.7838 117.9287 -206134.6798 17657.3515 0.0000 0.0000 34204.6088 -149346.4375 298.7174 -183551.0463 -149250.2214 299.1380 -127.7984 -94.1640 556902.2351 12.1892 12.0751 LDB: ============= START OF LOAD BALANCING ============== 13120.9 LDB: ============== END OF LOAD BALANCING =============== 13120.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13120.9 LDB: ============= START OF LOAD BALANCING ============== 13121.2 LDB: Largest compute 4809 load 0.020840 is 17.6% of average load 0.118214 LDB: Average compute 0.001740 is 1.5% of average load 0.118214 LDB: TIME 13121.2 LOAD: AVG 0.118214 MAX 0.199476 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.062 MB LDB: TIME 13121.2 LOAD: AVG 0.118214 MAX 0.199476 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.125 MB LDB: TIME 13121.2 LOAD: AVG 0.118214 MAX 0.199476 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.125 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13121.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13121.2 PRESSURE: 4416400 -29.4279 -4.57989 43.6223 -4.57952 311.059 -25.2263 43.6218 -25.2251 126.658 GPRESSURE: 4416400 8.5458 29.4205 35.9911 -90.0457 355.275 -12.0827 55.7871 -81.629 145.067 PRESSAVG: 4416400 77.46 -7.08842 25.3245 -7.08838 69.6646 0.948008 25.3244 0.947957 -104.871 GPRESSAVG: 4416400 77.8944 -6.53141 24.4081 -6.6634 69.4493 -0.521006 25.5628 0.349352 -105.142 TIMING: 4416400 CPU: 13117.9, 0.00302229/step Wall: 13117.9, 0.00302229/step, 0.489947 hours remaining, 208.039062 MB of memory in use. ENERGY: 4416400 709.6583 2099.7694 1976.8605 111.7855 -206573.3477 17953.4127 0.0000 0.0000 34190.8305 -149531.0307 298.5970 -183721.8612 -149433.7955 298.6698 136.0963 169.6293 557513.5060 14.0844 14.0671 PRESSURE: 4416600 116.52 25.3511 75.7217 25.3524 -59.6097 210.98 75.7205 210.981 -154.685 GPRESSURE: 4416600 131.482 37.7809 138.006 -22.99 -79.3368 226.041 62.6936 211.23 -42.0213 PRESSAVG: 4416600 55.0479 8.76272 8.44472 8.76277 43.8001 29.1455 8.4447 29.1456 -53.4482 GPRESSAVG: 4416600 54.7463 8.19059 10.4974 7.03392 43.8559 29.9381 6.38929 29.6169 -52.8709 TIMING: 4416600 CPU: 13118.5, 0.00295707/step Wall: 13118.5, 0.00295706/step, 0.479209 hours remaining, 208.039062 MB of memory in use. ENERGY: 4416600 742.1815 2095.8499 1960.4580 115.3706 -206630.6759 17860.1512 0.0000 0.0000 34257.5789 -149599.0858 299.1800 -183856.6647 -149501.2370 298.3064 -32.5916 3.3745 556636.3546 15.1333 15.2438 PRESSURE: 4416800 -7.23862 -45.3424 -72.5278 -45.3433 -68.0662 -44.1639 -72.5286 -44.1636 89.8826 GPRESSURE: 4416800 -2.00553 27.4329 -65.2699 -46.4809 45.0258 6.3981 -85.8745 -120.172 62.8477 PRESSAVG: 4416800 50.1424 -31.9578 -36.7622 -31.9578 -10.6926 34.0836 -36.7623 34.0834 -48.8712 GPRESSAVG: 4416800 50.2982 -32.8697 -39.6084 -29.1268 -10.8699 33.9525 -33.9246 33.0168 -48.9198 TIMING: 4416800 CPU: 13119.1, 0.00294284/step Wall: 13119.1, 0.00294284/step, 0.47674 hours remaining, 208.039062 MB of memory in use. ENERGY: 4416800 732.4717 2076.9694 1923.4921 106.9338 -206264.6945 17822.1893 0.0000 0.0000 34157.4716 -149445.1666 298.3057 -183602.6382 -149350.7375 298.8191 4.8592 35.2893 556585.6005 -3.1405 -3.1638 PRESSURE: 4417000 33.8239 76.9175 -103.976 76.9169 -107.683 -133.956 -103.976 -133.957 -40.2311 GPRESSURE: 4417000 6.24392 63.4396 -132.069 95.7868 -62.9008 -141.705 -134.989 -161.577 27.3246 PRESSAVG: 4417000 -11.6593 17.6252 -22.5565 17.6252 5.44022 23.0991 -22.5566 23.0991 -11.7575 GPRESSAVG: 4417000 -11.3898 19.0504 -20.8232 16.1923 6.02325 22.9289 -23.9055 23.2149 -12.4345 TIMING: 4417000 CPU: 13119.7, 0.00294182/step Wall: 13119.7, 0.00294182/step, 0.476412 hours remaining, 208.039062 MB of memory in use. ENERGY: 4417000 743.1772 2071.4685 1923.5038 118.3073 -206280.5834 17724.4592 0.0000 0.0000 34142.7182 -149556.9492 298.1768 -183699.6674 -149461.3673 298.0220 -38.0300 -9.7774 556499.7915 -5.9922 -5.9337 PRESSURE: 4417200 -110.912 74.1975 -103.016 74.1977 -71.2208 -92.6103 -103.017 -92.6105 7.8277 GPRESSURE: 4417200 -71.6703 141.962 -88.5283 107.098 -55.2013 -42.315 -108.163 -107.623 36.5271 PRESSAVG: 4417200 -29.3115 27.9458 5.36076 27.9459 42.7937 15.938 5.36073 15.9381 23.5666 GPRESSAVG: 4417200 -30.3625 27.9685 5.92043 29.9718 44.064 16.1442 6.68319 17.2104 23.3793 TIMING: 4417200 CPU: 13120.3, 0.00292487/step Wall: 13120.3, 0.00292487/step, 0.473505 hours remaining, 208.039062 MB of memory in use. ENERGY: 4417200 763.3945 2095.9161 1961.5480 112.5742 -206339.6031 17673.2336 0.0000 0.0000 34123.4030 -149609.5337 298.0082 -183732.9367 -149517.2599 297.8246 -58.1018 -30.1148 555722.2321 12.3496 12.3603 PRESSURE: 4417400 -80.6256 -104.911 -87.8014 -104.909 169.937 12.2081 -87.8012 12.2085 -68.9956 GPRESSURE: 4417400 -92.3636 -127.763 -122.484 -76.27 233.982 -46.3393 -108.003 -15.519 -34.4625 PRESSAVG: 4417400 -49.2766 -17.6503 -22.3006 -17.6503 27.4561 15.4132 -22.3007 15.4133 28.2831 GPRESSAVG: 4417400 -47.939 -19.1371 -23.6711 -18.1868 26.4046 14.6633 -21.4597 16.2355 28.6905 TIMING: 4417400 CPU: 13120.9, 0.00291502/step Wall: 13120.9, 0.00291502/step, 0.471748 hours remaining, 208.039062 MB of memory in use. ENERGY: 4417400 772.5051 2142.5736 1958.1475 101.5059 -206333.5553 17917.5508 0.0000 0.0000 33915.8604 -149525.4119 296.1956 -183441.2724 -149433.8331 298.0087 6.7720 35.7185 557464.1027 2.1542 2.3854 PRESSURE: 4417600 -169.839 -99.2161 -83.2345 -99.2169 7.94183 -57.3777 -83.2349 -57.3763 -320.664 GPRESSURE: 4417600 -126.163 -37.782 -83.1835 -109.671 -5.30431 -49.737 -59.0988 -54.9948 -254.292 PRESSAVG: 4417600 -158.929 28.8222 -63.4837 28.8221 56.6216 24.111 -63.4837 24.111 28.57 GPRESSAVG: 4417600 -160.037 29.5114 -63.1882 26.6803 57.2398 24.2135 -64.133 23.4721 28.7171 TIMING: 4417600 CPU: 13121.5, 0.00296403/step Wall: 13121.5, 0.00296403/step, 0.479515 hours remaining, 208.078125 MB of memory in use. ENERGY: 4417600 766.7314 2092.7995 1941.1484 107.8609 -206308.7904 17670.4429 0.0000 0.0000 34230.9880 -149498.8192 298.9477 -183729.8072 -149397.8963 298.4908 -160.8538 -128.5861 557472.8956 -24.5790 -24.6935 PRESSURE: 4417800 30.9449 -195.614 -202.935 -195.614 -8.30535 70.9949 -202.935 70.9956 131.366 GPRESSURE: 4417800 62.0233 -228.904 -149.972 -66.5314 -12.026 55.932 -200.894 17.1166 188.021 PRESSAVG: 4417800 25.5541 16.1297 -37.8935 16.1296 24.6547 18.9919 -37.8935 18.9919 -0.194512 GPRESSAVG: 4417800 26.1701 16.1701 -34.6269 17.2313 25.0013 21.5001 -40.8435 17.7016 -1.28907 TIMING: 4417800 CPU: 13122, 0.00294483/step Wall: 13122, 0.00294483/step, 0.476245 hours remaining, 208.078125 MB of memory in use. ENERGY: 4417800 722.9767 2103.9949 1935.1316 118.7986 -206260.5136 17771.4990 0.0000 0.0000 34179.2322 -149428.8807 298.4957 -183608.1128 -149333.1236 298.4305 51.3352 79.3395 557040.7555 16.6714 16.6274 PRESSURE: 4418000 -192.388 23.6217 5.38608 23.6222 -229.033 8.51651 5.38695 8.51715 -139.75 GPRESSURE: 4418000 -145.183 5.12069 -22.7882 118.09 -176.102 5.92976 72.9441 76.976 -138.361 PRESSAVG: 4418000 -20.7757 -2.88959 -9.1031 -2.88946 52.8518 45.2379 -9.10305 45.2379 -50.5022 GPRESSAVG: 4418000 -20.5591 -2.77893 -9.20599 -4.21119 52.4078 43.8995 -6.9139 46.7949 -50.0452 TIMING: 4418000 CPU: 13122.6, 0.00293415/step Wall: 13122.6, 0.00293415/step, 0.474355 hours remaining, 208.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4418000 737.1179 2128.9255 1917.4223 120.9473 -205757.3784 17463.2215 0.0000 0.0000 34028.8586 -149360.8853 297.1825 -183389.7440 -149257.7325 298.0246 -187.0569 -153.2153 557387.0293 -6.1420 -6.0655 PRESSURE: 4418200 87.6386 42.8725 -261.575 42.8738 -276.027 104.888 -261.574 104.886 -272.868 GPRESSURE: 4418200 130.878 8.42081 -216.612 67.9711 -234.888 28.7708 -335.12 97.0556 -253.005 PRESSAVG: 4418200 -34.2096 -20.9124 -19.3963 -20.9125 2.88286 -52.2722 -19.3962 -52.2722 52.4506 GPRESSAVG: 4418200 -34.4438 -21.9007 -19.7638 -18.9528 2.42101 -53.1698 -21.5115 -54.2604 53.2205 TIMING: 4418200 CPU: 13123.2, 0.00295883/step Wall: 13123.2, 0.00295882/step, 0.478179 hours remaining, 208.078125 MB of memory in use. ENERGY: 4418200 786.4206 2076.7568 1921.4729 115.4413 -206176.7464 17729.5304 0.0000 0.0000 34209.2287 -149337.8958 298.7577 -183547.1245 -149239.9042 299.2400 -153.7522 -119.0051 557694.2070 7.0413 7.0659 PRESSURE: 4418400 -36.9453 161.366 -38.4785 161.368 70.2917 150.123 -38.4777 150.122 344.502 GPRESSURE: 4418400 29.9903 138.906 -8.20113 58.4129 75.0005 212.789 -39.5378 143.921 363.495 PRESSAVG: 4418400 24.8445 28.0882 -45.2647 28.0881 30.3541 27.9593 -45.2647 27.9595 -31.0435 GPRESSAVG: 4418400 24.192 29.8346 -46.7156 27.4034 31.7303 25.4768 -44.2626 30.477 -31.8723 TIMING: 4418400 CPU: 13123.8, 0.00293986/step Wall: 13123.8, 0.00293986/step, 0.474951 hours remaining, 208.078125 MB of memory in use. ENERGY: 4418400 777.2989 2140.8340 1916.6628 104.3859 -206622.5355 18186.3888 0.0000 0.0000 34183.2466 -149313.7186 298.5308 -183496.9652 -149209.3335 299.2767 125.9496 156.1619 557536.9089 8.0517 8.0167 PRESSURE: 4418600 45.6066 87.0583 -138.902 87.0575 26.5886 39.6408 -138.901 39.6412 229.319 GPRESSURE: 4418600 21.2279 116.872 -178.153 59.4697 102.9 4.07621 -114.807 54.0845 278.03 PRESSAVG: 4418600 -54.3313 -43.102 -17.2462 -43.102 32.1448 -10.5362 -17.2462 -10.5361 43.0387 GPRESSAVG: 4418600 -52.8004 -44.1158 -16.0746 -42.572 31.861 -8.64193 -16.7584 -11.3195 42.2827 TIMING: 4418600 CPU: 13124.4, 0.00292481/step Wall: 13124.4, 0.00292481/step, 0.472356 hours remaining, 208.078125 MB of memory in use. ENERGY: 4418600 735.9824 2090.3612 1953.4451 120.4392 -206135.7626 17691.4418 0.0000 0.0000 34209.0709 -149335.0219 298.7563 -183544.0928 -149235.3784 298.4420 100.5046 134.0529 556425.0331 6.9507 7.1144 PRESSURE: 4418800 181.348 300.54 -53.1933 300.541 127.024 55.841 -53.1935 55.8408 6.91859 GPRESSURE: 4418800 216.198 214.636 -63.8907 210.526 130.542 78.0051 -52.6186 -45.096 58.9822 PRESSAVG: 4418800 -23.8659 10.6874 -12.1551 10.6873 127.733 -11.2403 -12.1551 -11.2403 -91.5567 GPRESSAVG: 4418800 -24.7248 10.7744 -13.53 8.78674 128.743 -9.2966 -12.226 -11.8184 -91.273 TIMING: 4418800 CPU: 13125, 0.00293028/step Wall: 13125, 0.00293028/step, 0.473078 hours remaining, 208.078125 MB of memory in use. ENERGY: 4418800 725.6461 2018.3473 1940.6666 116.6610 -206200.5023 17875.5859 0.0000 0.0000 34118.9525 -149404.6428 297.9693 -183523.5953 -149309.7028 298.9760 105.0968 135.2407 556374.2837 4.1033 4.2485 PRESSURE: 4419000 193.442 -98.3355 33.19 -98.3354 -30.5135 -135.718 33.1905 -135.719 -28.5383 GPRESSURE: 4419000 194.547 -116.974 -0.320537 -128.112 53.6521 -127.31 69.1698 -152.781 -16.1114 PRESSAVG: 4419000 -43.5939 21.6097 26.8668 21.6097 -16.0136 29.4361 26.8669 29.4361 39.2228 GPRESSAVG: 4419000 -43.2649 23.9493 26.8814 20.0921 -17.8628 28.8211 25.9501 29.6159 40.4952 TIMING: 4419000 CPU: 13125.6, 0.00292974/step Wall: 13125.6, 0.00292974/step, 0.472828 hours remaining, 208.078125 MB of memory in use. ENERGY: 4419000 761.5324 2064.4609 1912.9644 101.4671 -206625.1614 17898.0554 0.0000 0.0000 34374.7202 -149511.9610 300.2030 -183886.6812 -149412.3834 298.8877 44.7968 77.3626 555548.3287 -6.7949 -6.8775 PRESSURE: 4419200 67.8847 89.582 -53.6488 89.58 134.569 41.7255 -53.6489 41.7252 -64.5586 GPRESSURE: 4419200 87.6832 76.3161 -169.711 108.192 170.846 71.8973 -87.209 -27.2791 -38.6279 PRESSAVG: 4419200 9.34722 -64.3529 36.6516 -64.3528 -5.67718 2.32291 36.6515 2.32288 -1.45372 GPRESSAVG: 4419200 10.3754 -68.3453 36.6153 -60.7481 -6.5049 2.48178 39.106 4.14478 -1.40996 TIMING: 4419200 CPU: 13126.1, 0.00292773/step Wall: 13126.1, 0.00292773/step, 0.47234 hours remaining, 208.078125 MB of memory in use. ENERGY: 4419200 701.6828 2092.6574 1920.3707 108.7016 -206480.3350 17858.6155 0.0000 0.0000 34313.1660 -149485.1410 299.6654 -183798.3070 -149388.1349 298.3387 45.9650 73.3005 557248.7260 0.7388 0.8202 PRESSURE: 4419400 -84.6793 0.526118 -186.826 0.525745 -177.867 -2.15461 -186.825 -2.15445 56.8412 GPRESSURE: 4419400 -70.4682 82.6829 -213.75 27.2425 -132.815 -67.1316 -139.932 -94.583 94.1626 PRESSAVG: 4419400 2.28273 -32.2733 -9.17758 -32.2733 5.28733 -43.6197 -9.17762 -43.6197 14.6278 GPRESSAVG: 4419400 1.47794 -30.7396 -8.45593 -33.1269 6.3987 -44.3313 -10.0814 -46.5624 14.2075 TIMING: 4419400 CPU: 13126.7, 0.00290232/step Wall: 13126.7, 0.00290232/step, 0.46808 hours remaining, 208.078125 MB of memory in use. ENERGY: 4419400 708.9042 2128.0062 1915.2319 110.0582 -206200.4350 17624.5783 0.0000 0.0000 34354.1934 -149359.4628 300.0237 -183713.6562 -149265.0088 298.7510 -68.5685 -36.3735 555528.9544 7.3993 7.3614 PRESSURE: 4419600 158.593 2.79832 -11.9231 2.79802 -120.671 214.235 -11.9218 214.236 -50.7986 GPRESSURE: 4419600 137.015 -107.246 114.241 85.4409 -62.6274 189.308 -77.0954 179.721 6.68992 PRESSAVG: 4419600 -29.4063 -42.463 -18.1163 -42.463 -2.74966 -1.18822 -18.1163 -1.18818 34.1673 GPRESSAVG: 4419600 -30.6754 -43.1742 -16.6781 -42.0736 -2.51085 -0.279336 -19.751 -0.463302 34.5525 TIMING: 4419600 CPU: 13127.3, 0.00291179/step Wall: 13127.3, 0.00291179/step, 0.469445 hours remaining, 208.078125 MB of memory in use. ENERGY: 4419600 722.6493 2143.0054 1911.1276 112.0621 -206229.3353 17601.0103 0.0000 0.0000 34313.5234 -149425.9572 299.6685 -183739.4806 -149326.5641 298.6941 -4.2922 27.0259 556544.6121 0.6704 0.4554 PRESSURE: 4419800 -195.688 -147.026 8.62231 -147.027 -61.7674 82.0115 8.62352 82.0104 10.9365 GPRESSURE: 4419800 -114.685 -96.4396 33.9331 -165.946 -17.7037 42.2422 -14.1503 11.9589 -11.0151 PRESSAVG: 4419800 -36.971 0.846968 -31.1164 0.846952 2.84707 8.63622 -31.1163 8.63626 66.4559 GPRESSAVG: 4419800 -37.3351 1.62061 -32.4199 -0.40836 2.2611 10.5483 -30.8684 7.92829 66.7689 TIMING: 4419800 CPU: 13127.9, 0.00293657/step Wall: 13127.9, 0.00293657/step, 0.473277 hours remaining, 208.078125 MB of memory in use. ENERGY: 4419800 777.0476 2107.3880 1920.8655 111.9603 -206105.3377 17776.3158 0.0000 0.0000 34049.2811 -149362.4794 297.3608 -183411.7605 -149257.0317 298.4361 -82.1729 -47.8012 557651.8713 10.7773 10.5649 PRESSURE: 4420000 139.572 -71.4107 13.8667 -71.4097 -140.474 -106.595 13.8679 -106.595 -118.461 GPRESSURE: 4420000 140.781 -55.5574 -59.4304 -104.25 -86.4947 -97.8528 88.1845 -84.2011 -75.2899 PRESSAVG: 4420000 -80.6021 7.13135 -59.1567 7.13125 38.7476 -17.7014 -59.1567 -17.7013 74.1307 GPRESSAVG: 4420000 -79.3186 6.31203 -58.5902 7.80182 37.8065 -21.3189 -59.499 -15.8895 73.7386 TIMING: 4420000 CPU: 13128.5, 0.00293785/step Wall: 13128.5, 0.00293785/step, 0.473321 hours remaining, 208.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4420000 720.3559 2083.9455 1959.8109 114.4309 -206197.7793 17741.4444 0.0000 0.0000 34166.6108 -149411.1809 298.3855 -183577.7917 -149316.9992 299.0526 -39.7874 -7.0012 557514.3758 10.7587 10.7422 PRESSURE: 4420200 -454.284 -10.6762 -28.091 -10.6769 -561.728 -71.8417 -28.0899 -71.8429 -136.347 GPRESSURE: 4420200 -408.497 67.7845 -25.9011 -95.1758 -492.301 -118.306 -23.4327 -69.1311 -159.77 PRESSAVG: 4420200 -49.4806 10.7353 -20.6965 10.7353 12.2027 5.23346 -20.6965 5.23326 3.7117 GPRESSAVG: 4420200 -50.7009 10.9423 -21.334 11.9467 12.8879 8.62616 -18.8852 2.65459 4.24365 TIMING: 4420200 CPU: 13129.1, 0.00293682/step Wall: 13129.1, 0.00293682/step, 0.472992 hours remaining, 208.078125 MB of memory in use. ENERGY: 4420200 733.4137 2119.7096 1932.7401 105.2145 -206026.3294 17370.6425 0.0000 0.0000 34178.7062 -149585.9027 298.4911 -183764.6089 -149492.5996 299.1619 -384.1195 -353.5227 558101.8172 -11.1887 -11.1898 LDB: ============= START OF LOAD BALANCING ============== 13132.6 LDB: ============== END OF LOAD BALANCING =============== 13132.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13132.6 LDB: ============= START OF LOAD BALANCING ============== 13132.9 LDB: Largest compute 4809 load 0.021948 is 18.6% of average load 0.118286 LDB: Average compute 0.001740 is 1.5% of average load 0.118286 LDB: TIME 13132.9 LOAD: AVG 0.118286 MAX 0.196551 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 13132.9 LOAD: AVG 0.118286 MAX 0.196551 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.867 MB LDB: TIME 13132.9 LOAD: AVG 0.118286 MAX 0.196551 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.867 MB LDB: ============== END OF LOAD BALANCING =============== 13132.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13132.9 PRESSURE: 4420400 -340.872 -111.691 -16.6174 -111.691 -120.075 41.9742 -16.6193 41.974 -14.213 GPRESSURE: 4420400 -265.641 -109.75 -67.9732 -147.493 -112.986 84.9017 17.2116 10.6875 12.4433 PRESSAVG: 4420400 -74.9725 23.4319 -24.3091 23.4319 4.75967 -2.45767 -24.309 -2.45757 51.5019 GPRESSAVG: 4420400 -73.8783 23.6351 -23.2924 22.8109 3.49687 -3.50186 -23.8401 -0.863261 51.9839 TIMING: 4420400 CPU: 13129.7, 0.00299255/step Wall: 13129.7, 0.00299255/step, 0.4818 hours remaining, 209.253906 MB of memory in use. ENERGY: 4420400 731.9409 2132.8605 1965.9513 115.1627 -206088.5623 17510.6502 0.0000 0.0000 34157.8361 -149474.1606 298.3089 -183631.9967 -149373.2816 298.6526 -158.3867 -122.0612 557119.1551 -6.2370 -6.1325 PRESSURE: 4420600 162.059 104.752 -49.8994 104.752 9.28499 -27.2003 -49.8991 -27.2003 237.449 GPRESSURE: 4420600 242.128 158.098 -39.2585 195.102 39.6456 126.896 8.21322 -109.447 222.051 PRESSAVG: 4420600 -33.0943 -63.5032 21.0742 -63.5032 -10.6731 -12.2474 21.0741 -12.2474 40.7309 GPRESSAVG: 4420600 -33.2093 -62.1593 20.7855 -63.3979 -10.4502 -12.8925 19.6293 -12.7414 40.0117 TIMING: 4420600 CPU: 13130.3, 0.00293818/step Wall: 13130.3, 0.00293818/step, 0.472885 hours remaining, 209.253906 MB of memory in use. ENERGY: 4420600 760.6877 2129.5009 1903.0987 108.6793 -206642.5752 18040.2897 0.0000 0.0000 34108.4239 -149591.8950 297.8773 -183700.3189 -149502.8126 298.4204 136.2644 167.9416 556409.2146 -1.0122 -1.2159 PRESSURE: 4420800 -97.5447 9.92301 -36.2404 9.92341 171.401 208.568 -36.2397 208.567 146.925 GPRESSURE: 4420800 -52.1753 78.8361 -11.9019 -31.2618 217.634 285.595 -53.4094 157.31 166.332 PRESSAVG: 4420800 -91.6578 -25.7901 -0.425786 -25.79 50.8211 -23.2694 -0.425795 -23.2695 59.9349 GPRESSAVG: 4420800 -92.4954 -25.3185 0.687564 -25.4044 50.696 -24.0069 2.14145 -21.8672 60.4472 TIMING: 4420800 CPU: 13130.8, 0.002944/step Wall: 13130.8, 0.002944/step, 0.473657 hours remaining, 209.253906 MB of memory in use. ENERGY: 4420800 761.0910 2091.9164 1953.3003 109.0422 -206528.0243 17872.2305 0.0000 0.0000 34307.1061 -149433.3378 299.6125 -183740.4440 -149328.5944 299.0073 73.5937 110.5970 556606.3909 6.3661 6.2159 PRESSURE: 4421000 218.005 39.8538 -103.261 39.8534 308.793 -7.01108 -103.262 -7.01198 240.945 GPRESSURE: 4421000 268.906 -7.38981 -25.3138 85.9236 305.628 86.4293 -133.593 -110.894 299.95 PRESSAVG: 4421000 -51.35 -13.5838 -23.0656 -13.5839 -69.0955 29.3227 -23.0657 29.3227 106.9 GPRESSAVG: 4421000 -50.1227 -12.8867 -23.3941 -14.969 -70.5246 30.1861 -26.3424 26.8786 106.613 TIMING: 4421000 CPU: 13131.4, 0.00293346/step Wall: 13131.4, 0.00293346/step, 0.471798 hours remaining, 209.253906 MB of memory in use. ENERGY: 4421000 744.6691 2086.4964 1941.6518 115.4728 -206929.7406 18237.2547 0.0000 0.0000 34220.8214 -149583.3743 298.8589 -183804.1957 -149483.8855 298.8938 255.9142 291.4946 556145.5003 -4.5151 -4.6780 PRESSURE: 4421200 116.441 42.6531 58.3063 42.653 -201.73 -78.3492 58.3045 -78.3477 -101.937 GPRESSURE: 4421200 159.2 -45.8265 134.198 15.2129 -220.89 -24.251 47.2567 -71.5335 -32.5831 PRESSAVG: 4421200 -46.2612 -66.4259 8.22746 -66.4259 12.2854 23.6645 8.22751 23.6646 51.923 GPRESSAVG: 4421200 -47.1693 -69.4022 8.00533 -64.291 13.4783 23.3836 9.97352 25.2639 51.5078 TIMING: 4421200 CPU: 13132, 0.00296449/step Wall: 13132, 0.00296449/step, 0.476624 hours remaining, 209.253906 MB of memory in use. ENERGY: 4421200 733.0370 2121.1927 1927.8176 107.4564 -206358.9284 17749.9008 0.0000 0.0000 34163.4448 -149556.0791 298.3579 -183719.5240 -149462.2115 298.7055 -62.4089 -31.4244 557519.8168 5.9824 5.9389 PRESSURE: 4421400 -25.2864 -25.7146 -24.7062 -25.715 111.814 -1.2284 -24.7062 -1.2307 -236.956 GPRESSURE: 4421400 26.4823 8.88804 -3.18029 -48.2306 141 8.70177 -37.2323 -1.47544 -226.104 PRESSAVG: 4421400 -58.7412 -56.8024 -17.0131 -56.8024 8.68308 54.0995 -17.0131 54.0995 61.7881 GPRESSAVG: 4421400 -58.6451 -55.6076 -18.0072 -56.6456 9.15636 55.2738 -17.9324 54.8158 60.7005 TIMING: 4421400 CPU: 13132.6, 0.00294144/step Wall: 13132.6, 0.00294144/step, 0.472754 hours remaining, 209.253906 MB of memory in use. ENERGY: 4421400 798.4076 2149.1930 1913.5271 116.4662 -206689.6197 17954.4728 0.0000 0.0000 34204.5811 -149552.9718 298.7171 -183757.5529 -149465.7507 297.8877 -50.1430 -19.5404 557162.5094 3.9100 3.7373 PRESSURE: 4421600 -155.829 102.591 149.935 102.59 143.108 193.984 149.937 193.982 -305.104 GPRESSURE: 4421600 -68.0387 137.376 196.565 27.2691 116.794 201.681 65.6088 237.136 -277.504 PRESSAVG: 4421600 -19.0472 58.0905 24.6782 58.0905 19.4092 37.6813 24.6781 37.6813 -28.7222 GPRESSAVG: 4421600 -20.3772 58.6629 26.0243 56.584 18.1479 37.3298 23.3409 34.7138 -26.2289 TIMING: 4421600 CPU: 13133.2, 0.00294494/step Wall: 13133.2, 0.00294494/step, 0.473154 hours remaining, 209.253906 MB of memory in use. ENERGY: 4421600 782.9514 2103.9766 1920.9669 117.0309 -206107.6151 17564.0670 0.0000 0.0000 34160.3032 -149458.3191 298.3304 -183618.6223 -149363.4480 298.6986 -105.9413 -76.2495 557389.4318 -9.4534 -9.4861 PRESSURE: 4421800 -72.811 42.5233 -49.1673 42.5241 -30.0361 132.313 -49.1672 132.313 91.7237 GPRESSURE: 4421800 -54.8066 -30.6784 -88.9405 20.819 18.0112 126.897 -27.5206 147.108 126.541 PRESSAVG: 4421800 8.16661 7.56977 -57.1046 7.56987 10.5117 72.1788 -57.1045 72.1789 -25.8588 GPRESSAVG: 4421800 9.16718 6.51899 -57.385 8.03569 11.6113 72.1052 -57.3487 73.6971 -28.31 TIMING: 4421800 CPU: 13133.8, 0.00293972/step Wall: 13133.8, 0.00293972/step, 0.472152 hours remaining, 209.253906 MB of memory in use. ENERGY: 4421800 764.7906 2157.2373 1921.6105 93.5904 -206350.0168 17778.0032 0.0000 0.0000 34016.8980 -149617.8867 297.0780 -183634.7847 -149529.5627 298.3148 -3.7078 29.9152 556713.3292 -2.3935 -2.5105 PRESSURE: 4422000 43.7204 -268.278 14.3474 -268.277 86.5763 218.217 14.3479 218.216 170.132 GPRESSURE: 4422000 44.3781 -208.019 117.213 -262.471 159.315 153.636 -24.6652 223.558 201.304 PRESSAVG: 4422000 10.4923 -54.9338 -26.3754 -54.9338 65.1244 10.4315 -26.3753 10.4315 -51.1224 GPRESSAVG: 4422000 9.95366 -55.1266 -26.3103 -54.5384 65.6227 8.62916 -24.235 11.216 -50.7763 TIMING: 4422000 CPU: 13134.4, 0.00293528/step Wall: 13134.4, 0.00293528/step, 0.471276 hours remaining, 209.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4422000 740.3607 2080.7540 1967.6660 116.2119 -206867.8716 18149.5952 0.0000 0.0000 34203.7320 -149609.5519 298.7097 -183813.2838 -149505.5079 298.5959 100.1428 134.9990 556516.9649 8.1648 8.2667 PRESSURE: 4422200 176.887 74.284 -84.3141 74.2836 22.4263 -81.9902 -84.314 -81.9897 -111.509 GPRESSURE: 4422200 175.189 36.902 -76.4606 102.423 50.6759 -51.6989 11.562 -127.905 -46.8086 PRESSAVG: 4422200 26.968 13.0014 -6.06646 13.0014 51.6042 20.4257 -6.06645 20.4256 -27.5866 GPRESSAVG: 4422200 27.6604 12.699 -5.7923 14.2414 51.7365 20.8721 -7.1025 20.1164 -27.9493 TIMING: 4422200 CPU: 13135, 0.00296988/step Wall: 13135, 0.00296988/step, 0.476666 hours remaining, 209.253906 MB of memory in use. ENERGY: 4422200 774.2532 2094.8995 1933.0514 106.5944 -206787.0647 18135.1725 0.0000 0.0000 34256.7621 -149486.3317 299.1728 -183743.0938 -149386.5836 298.6604 29.2680 59.6853 557676.1692 16.9952 17.1492 PRESSURE: 4422400 -133.32 41.2323 96.7811 41.2314 -237.772 23.5853 96.7826 23.5837 -243.2 GPRESSURE: 4422400 -101.101 -17.5538 48.117 56.3235 -225.518 41.9359 112.212 -22.5388 -194.115 PRESSAVG: 4422400 0.65843 -32.3807 6.53019 -32.3808 -57.8334 52.3084 6.53033 52.3085 -15.9057 GPRESSAVG: 4422400 0.584008 -31.9142 6.31865 -34.4958 -59.1894 51.615 5.08722 51.7114 -14.8266 TIMING: 4422400 CPU: 13135.6, 0.00296508/step Wall: 13135.6, 0.00296508/step, 0.47573 hours remaining, 209.253906 MB of memory in use. ENERGY: 4422400 770.1034 2124.7963 1904.6316 119.9623 -206276.7098 17568.3637 0.0000 0.0000 34293.6182 -149495.2345 299.4947 -183788.8526 -149395.5528 298.5459 -204.7642 -173.5781 558799.4168 -24.3602 -24.4774 PRESSURE: 4422600 -269.262 -67.3324 -245.664 -67.3325 -174.927 51.1169 -245.666 51.1168 -147.144 GPRESSURE: 4422600 -215.339 -26.5637 -150.466 -120.993 -131.772 60.9308 -301.203 63.8289 -142.917 PRESSAVG: 4422600 61.6417 15.3321 30.916 15.3321 -5.41365 -29.0658 30.9159 -29.0658 -58.8984 GPRESSAVG: 4422600 61.779 15.3452 30.544 17.254 -5.11657 -28.9311 32.5515 -27.8391 -59.6481 TIMING: 4422600 CPU: 13136.2, 0.00295838/step Wall: 13136.2, 0.00295838/step, 0.474492 hours remaining, 209.253906 MB of memory in use. ENERGY: 4422600 761.4939 2099.0023 1929.8409 105.6722 -206271.8589 17537.1245 0.0000 0.0000 34355.5497 -149483.1753 300.0356 -183838.7251 -149392.8004 298.5671 -197.1111 -163.3429 557500.9992 -0.8901 -0.9952 PRESSURE: 4422800 196.988 66.1738 124.414 66.1723 58.9417 3.76045 124.414 3.75927 -247.777 GPRESSURE: 4422800 227.614 10.794 162.277 61.3616 112.904 41.5901 85.9176 38.3757 -217.106 PRESSAVG: 4422800 81.0374 -14.7945 -15.0604 -14.7945 -25.6396 -94.3862 -15.0604 -94.3861 -35.3152 GPRESSAVG: 4422800 81.4625 -16.0049 -15.0884 -14.3393 -25.7621 -93.9518 -14.3763 -95.125 -35.7328 TIMING: 4422800 CPU: 13136.7, 0.00294462/step Wall: 13136.7, 0.00294462/step, 0.472121 hours remaining, 209.253906 MB of memory in use. ENERGY: 4422800 722.3678 2133.9283 1921.5570 119.0619 -206308.8145 17843.2439 0.0000 0.0000 34060.3896 -149508.2659 297.4579 -183568.6555 -149408.8100 298.4263 2.7174 41.1374 556730.7048 6.6942 6.6559 PRESSURE: 4423000 2.16874 59.5218 48.4041 59.5229 -150.348 146.631 48.4033 146.63 235.736 GPRESSURE: 4423000 13.5127 65.4523 15.7783 103.156 -112.42 152.712 -9.02802 118.784 277.504 PRESSAVG: 4423000 38.0826 19.1219 32.9324 19.1219 -22.2646 1.33679 32.9323 1.33659 -31.1879 GPRESSAVG: 4423000 37.5889 18.9507 32.5925 18.0753 -22.7086 2.00332 32.3094 2.54438 -30.5897 TIMING: 4423000 CPU: 13137.3, 0.0029462/step Wall: 13137.3, 0.0029462/step, 0.47221 hours remaining, 209.253906 MB of memory in use. ENERGY: 4423000 742.2233 2134.0067 1931.3585 112.2423 -206512.6672 17840.9446 0.0000 0.0000 34148.5915 -149603.3003 298.2281 -183751.8918 -149501.0229 298.4863 29.1854 59.5323 556354.8371 -5.1233 -5.2365 PRESSURE: 4423200 68.7551 -138.662 107.867 -138.663 -19.1041 -15.4487 107.868 -15.4486 198.715 GPRESSURE: 4423200 44.0837 -142.324 58.1588 -160.021 36.5527 -43.3442 129.249 16.7301 275.297 PRESSAVG: 4423200 21.5766 -24.5415 54.5588 -24.5415 -29.2395 15.9408 54.5587 15.9408 -4.3171 GPRESSAVG: 4423200 21.1077 -21.7279 55.7098 -25.2779 -28.0678 14.7614 53.2647 15.2331 -4.51116 TIMING: 4423200 CPU: 13137.9, 0.00294279/step Wall: 13137.9, 0.00294279/step, 0.4715 hours remaining, 209.253906 MB of memory in use. ENERGY: 4423200 707.4092 2160.2261 1937.7483 117.6252 -206801.1028 17992.3633 0.0000 0.0000 34252.9685 -149632.7622 299.1397 -183885.7307 -149532.6214 298.1423 82.7886 118.6445 555722.6666 -3.9933 -3.8238 PRESSURE: 4423400 249.344 -26.4927 -126.141 -26.4923 76.1577 43.4311 -126.141 43.4304 51.8655 GPRESSURE: 4423400 291.332 -23.1079 -101.165 -30.3211 77.4109 34.4232 -168.679 177.787 110.907 PRESSAVG: 4423400 0.0119746 -35.6717 -4.48359 -35.6717 -31.3866 0.692024 -4.48367 0.692017 1.90494 GPRESSAVG: 4423400 0.0879628 -37.6681 -5.68091 -33.4831 -32.2511 -0.943852 -3.51172 3.56557 2.13941 TIMING: 4423400 CPU: 13138.5, 0.00293268/step Wall: 13138.5, 0.00293268/step, 0.469717 hours remaining, 209.253906 MB of memory in use. ENERGY: 4423400 722.0284 2069.3600 1929.1285 114.5803 -206583.3576 17928.0883 0.0000 0.0000 34246.6894 -149573.4827 299.0849 -183820.1721 -149469.1415 298.2924 125.7892 159.8831 555611.6737 -9.8232 -10.0079 PRESSURE: 4423600 19.1843 45.7632 -108.879 45.7625 -35.793 -94.991 -108.877 -94.9928 -63.401 GPRESSURE: 4423600 -3.31484 -32.0113 -63.7949 68.4998 -13.394 -10.9332 -159.645 -153.684 37.5108 PRESSAVG: 4423600 22.8715 -4.21416 14.6013 -4.21425 27.4434 1.15549 14.6013 1.15549 -6.65146 GPRESSAVG: 4423600 21.669 -4.38073 14.4768 -4.54959 27.6748 0.505276 15.0357 -1.6765 -5.64825 TIMING: 4423600 CPU: 13139.1, 0.00294975/step Wall: 13139.1, 0.00294975/step, 0.472288 hours remaining, 209.253906 MB of memory in use. ENERGY: 4423600 722.1377 2056.5228 1961.0429 111.2506 -206235.2999 17848.3028 0.0000 0.0000 33998.8961 -149537.1470 296.9208 -183536.0431 -149441.5800 299.0794 -26.6699 6.9340 557439.0902 14.5545 14.5652 PRESSURE: 4423800 63.4519 -166.336 17.9588 -166.336 -33.292 0.449354 17.9583 0.450591 4.44819 GPRESSURE: 4423800 141.557 -116.541 29.2867 -108.123 -43.7832 4.49127 -44.7116 27.2293 22.4227 PRESSAVG: 4423800 -17.6539 -31.0985 9.22023 -31.0985 -63.5599 -24.8286 9.22017 -24.8285 79.4802 GPRESSAVG: 4423800 -16.9394 -29.4172 10.5276 -32.3879 -64.4485 -21.5255 9.28111 -27.044 79.2612 TIMING: 4423800 CPU: 13139.7, 0.00295445/step Wall: 13139.7, 0.00295445/step, 0.472876 hours remaining, 209.253906 MB of memory in use. ENERGY: 4423800 691.6943 2074.1870 1975.7904 106.3104 -206293.7404 17828.9778 0.0000 0.0000 34165.0032 -149451.7774 298.3715 -183616.7806 -149360.1468 298.5464 11.5360 40.0654 556925.5482 -0.5779 -0.7089 PRESSURE: 4424000 -98.2089 104.627 -38.7901 104.626 31.9167 59.6017 -38.7912 59.6011 -9.71088 GPRESSURE: 4424000 -84.9179 125.961 -37.2256 101.488 113.711 65.878 -34.9844 -2.13975 -1.15538 PRESSAVG: 4424000 -91.8232 -18.286 25.5801 -18.286 59.5923 17.9802 25.5801 17.98 19.1866 GPRESSAVG: 4424000 -91.3841 -19.6359 25.3748 -17.3567 60.6151 15.9267 26.7481 19.9403 18.5725 TIMING: 4424000 CPU: 13140.3, 0.00297121/step Wall: 13140.3, 0.00297121/step, 0.475394 hours remaining, 209.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4424000 752.0964 2119.2876 1946.7353 102.3139 -206350.6048 17732.0249 0.0000 0.0000 34172.6712 -149525.4755 298.4384 -183698.1467 -149434.9992 298.3845 -25.3344 9.2125 556905.5622 -4.3481 -4.0655 PRESSURE: 4424200 -228.527 34.9881 13.8719 34.9891 -289.661 61.4784 13.8708 61.4791 -360.548 GPRESSURE: 4424200 -221.501 78.2719 -35.0768 35.5405 -274.922 -53.0123 69.2625 82.0763 -280.665 PRESSAVG: 4424200 0.654666 43.4124 36.1031 43.4126 53.6449 12.7552 36.103 12.7551 -11.8004 GPRESSAVG: 4424200 0.966116 42.8231 37.5594 42.5557 52.9447 13.4377 33.8349 12.0609 -11.1451 TIMING: 4424200 CPU: 13140.9, 0.00294092/step Wall: 13140.9, 0.00294092/step, 0.470384 hours remaining, 209.253906 MB of memory in use. ENERGY: 4424200 771.1155 2132.5881 1948.6884 117.3154 -206223.4867 17519.4987 0.0000 0.0000 34260.9055 -149473.3752 299.2090 -183734.2807 -149376.7561 298.5903 -292.9117 -259.0293 556738.7704 14.1664 14.2552 LDB: ============= START OF LOAD BALANCING ============== 13144.4 LDB: ============== END OF LOAD BALANCING =============== 13144.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13144.4 LDB: ============= START OF LOAD BALANCING ============== 13144.7 LDB: Largest compute 4809 load 0.023116 is 19.5% of average load 0.118293 LDB: Average compute 0.001738 is 1.5% of average load 0.118293 LDB: TIME 13144.7 LOAD: AVG 0.118293 MAX 0.198431 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.965 MB LDB: TIME 13144.7 LOAD: AVG 0.118293 MAX 0.198431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.969 MB LDB: TIME 13144.7 LOAD: AVG 0.118293 MAX 0.198431 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13144.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13144.7 PRESSURE: 4424400 -282.844 5.05568 -146.418 5.05586 38.7529 135.238 -146.418 135.236 154.245 GPRESSURE: 4424400 -191.884 49.7597 -184.528 29.2146 64.2856 131.192 -41.9056 139.763 151.241 PRESSAVG: 4424400 -25.3173 37.892 -28.375 37.8921 -32.6292 59.6267 -28.3748 59.6267 15.3108 GPRESSAVG: 4424400 -24.7653 38.5678 -30.1952 36.8492 -33.4616 58.9687 -27.9165 60.7617 15.3625 TIMING: 4424400 CPU: 13141.5, 0.00298524/step Wall: 13141.5, 0.00298524/step, 0.477306 hours remaining, 208.808594 MB of memory in use. ENERGY: 4424400 741.8421 2155.8849 1931.5886 109.1315 -206490.0579 17896.9950 0.0000 0.0000 34264.5229 -149390.0929 299.2406 -183654.6158 -149299.0843 298.8116 -29.9488 7.8811 556616.8922 -14.2119 -14.2881 PRESSURE: 4424600 -203.265 -6.41888 77.5747 -6.41832 -78.2582 103.671 77.5745 103.673 78.992 GPRESSURE: 4424600 -140.048 33.1801 139.663 -14.8159 -122.888 61.1953 43.4881 86.4722 174.261 PRESSAVG: 4424600 -19.0238 41.0722 -33.383 41.0721 -30.6761 -25.4207 -33.3831 -25.4205 23.7879 GPRESSAVG: 4424600 -18.841 40.5499 -34.7923 41.8119 -30.8682 -26.5415 -32.5578 -24.3446 23.4892 TIMING: 4424600 CPU: 13142.1, 0.00293424/step Wall: 13142.1, 0.00293424/step, 0.468989 hours remaining, 208.808594 MB of memory in use. ENERGY: 4424600 730.9431 2132.9019 1977.0003 109.8395 -206588.3221 17839.3466 0.0000 0.0000 34327.6148 -149470.6759 299.7916 -183798.2907 -149378.7633 299.2330 -67.5103 -29.5581 558221.7075 -8.6373 -8.7400 PRESSURE: 4424800 -354.757 -74.7688 -62.897 -74.7676 200.262 -108.222 -62.897 -108.221 -194.091 GPRESSURE: 4424800 -299.709 -19.7673 -84.7049 -38.3667 180.449 -143.126 -144.426 -49.6313 -136.017 PRESSAVG: 4424800 -37.3685 -3.85453 -38.983 -3.85455 34.9145 -23.3168 -38.9831 -23.3169 10.3671 GPRESSAVG: 4424800 -39.0642 -3.05907 -36.2732 -2.52785 35.6826 -20.8675 -38.8161 -24.8434 11.5792 TIMING: 4424800 CPU: 13142.6, 0.00292894/step Wall: 13142.6, 0.00292894/step, 0.46798 hours remaining, 208.808594 MB of memory in use. ENERGY: 4424800 775.2208 2135.5596 1965.3428 116.1202 -206384.2208 17824.4754 0.0000 0.0000 34270.4121 -149297.0898 299.2920 -183567.5019 -149200.9011 298.9160 -116.1954 -85.0925 557809.0201 2.6377 2.7325 PRESSURE: 4425000 -188.158 142.196 -26.0451 142.197 -211.842 -70.9536 -26.0449 -70.9551 -49.0042 GPRESSURE: 4425000 -151.413 155.11 -67.2728 140.831 -179.074 -66.8101 -33.8922 -128.684 -21.771 PRESSAVG: 4425000 63.444 47.2436 -39.82 47.2435 -40.1292 -39.9822 -39.82 -39.9822 -4.96559 GPRESSAVG: 4425000 63.3678 47.9428 -39.4368 44.7467 -39.7522 -42.2073 -41.6761 -38.148 -5.78935 TIMING: 4425000 CPU: 13143.2, 0.0029256/step Wall: 13143.2, 0.0029256/step, 0.467284 hours remaining, 208.808594 MB of memory in use. ENERGY: 4425000 770.8303 2066.6977 1954.6561 112.8029 -206190.1424 17779.6973 0.0000 0.0000 34275.5277 -149229.9305 299.3367 -183505.4582 -149133.9413 299.4841 -149.6683 -117.4192 559872.6828 6.1164 5.9421 PRESSURE: 4425200 -193.767 -2.7892 -49.691 -2.78853 -136.492 84.6553 -49.6904 84.6544 -170.406 GPRESSURE: 4425200 -199.953 -52.305 16.7599 -104.876 -83.8706 66.8249 -49.9303 149.808 -120.157 PRESSAVG: 4425200 4.2273 21.4112 -2.87522 21.4112 -73.102 -11.7685 -2.87524 -11.7686 87.9805 GPRESSAVG: 4425200 4.66218 19.4804 -3.33996 23.586 -73.1989 -9.1741 -1.8555 -12.8518 87.4782 TIMING: 4425200 CPU: 13143.8, 0.00294092/step Wall: 13143.8, 0.00294093/step, 0.469568 hours remaining, 208.808594 MB of memory in use. ENERGY: 4425200 717.6429 2082.2756 1934.3807 106.0655 -206169.5734 17741.1900 0.0000 0.0000 34396.2117 -149191.8069 300.3907 -183588.0186 -149104.1750 299.1671 -166.8882 -134.6603 559202.9947 6.3686 6.3138 PRESSURE: 4425400 -89.8113 -62.864 13.0085 -62.863 -44.0203 -119.351 13.0062 -119.35 -11.8092 GPRESSURE: 4425400 -83.7062 -39.8522 -1.34205 -100.782 -11.1964 -217.06 62.3988 -68.3679 42.7463 PRESSAVG: 4425400 14.8729 -23.4731 -6.84471 -23.473 -43.139 -55.781 -6.8448 -55.781 40.3679 GPRESSAVG: 4425400 15.2653 -23.2743 -8.81025 -25.3272 -43.5406 -58.0644 -6.09701 -55.5108 40.6346 TIMING: 4425400 CPU: 13144.4, 0.00291828/step Wall: 13144.4, 0.00291828/step, 0.465789 hours remaining, 208.808594 MB of memory in use. ENERGY: 4425400 734.1606 2106.6472 1948.5730 106.6901 -206297.9280 17930.9385 0.0000 0.0000 34210.7886 -149260.1300 298.7713 -183470.9186 -149168.7413 299.3563 -48.5469 -17.3854 558849.1490 4.0339 4.1198 PRESSURE: 4425600 -192.088 -116.077 43.9917 -116.077 117.338 -82.8216 43.9897 -82.8217 135.617 GPRESSURE: 4425600 -148.183 -125.476 90.559 -98.5628 148.337 -13.738 -16.6201 -68.4916 158.96 PRESSAVG: 4425600 -24.6285 7.40142 -2.76382 7.40147 25.5572 19.3629 -2.76393 19.3629 22.3983 GPRESSAVG: 4425600 -24.9901 4.85207 -2.10162 10.9148 26.2913 20.6084 -1.83493 20.0174 21.8278 TIMING: 4425600 CPU: 13145, 0.00293212/step Wall: 13145, 0.00293212/step, 0.467835 hours remaining, 208.937500 MB of memory in use. ENERGY: 4425600 763.8304 2035.5967 1954.1603 103.8054 -206215.2085 17906.5786 0.0000 0.0000 34281.0901 -149170.1469 299.3853 -183451.2371 -149061.5266 299.1356 20.2891 53.0380 558993.3806 7.7757 7.7097 PRESSURE: 4425800 -102.219 72.8578 11.3111 72.858 -195.714 110.975 11.3097 110.975 -530.568 GPRESSURE: 4425800 -91.6474 41.4046 -9.53186 94.8297 -180.115 100.877 58.2137 68.7789 -457.407 PRESSAVG: 4425800 -5.91279 -18.5018 34.1956 -18.5017 -16.5115 19.9682 34.1956 19.9683 21.104 GPRESSAVG: 4425800 -6.22469 -16.6904 34.7625 -18.5815 -16.5401 20.2365 34.1454 17.4812 21.8177 TIMING: 4425800 CPU: 13145.6, 0.00291674/step Wall: 13145.6, 0.00291674/step, 0.465219 hours remaining, 208.937500 MB of memory in use. ENERGY: 4425800 757.3905 2064.3347 1956.2576 120.6734 -205717.4570 17515.7287 0.0000 0.0000 34190.7162 -149112.3559 298.5960 -183303.0721 -149010.0866 299.1518 -276.1669 -243.0566 559409.2705 -0.4401 -0.3157 PRESSURE: 4426000 417.323 -71.0029 -64.6963 -71.0032 -28.1482 143.865 -64.6972 143.865 123.429 GPRESSURE: 4426000 429.389 -116.539 -21.4136 -61.4508 27.8568 167.795 -55.5888 169.87 153.317 PRESSAVG: 4426000 5.44384 82.5142 51.9262 82.5141 -26.4687 -26.9309 51.9262 -26.9309 34.3769 GPRESSAVG: 4426000 6.32825 83.9208 53.8043 79.2487 -26.3849 -28.9612 51.1906 -24.2989 33.4332 TIMING: 4426000 CPU: 13146.2, 0.00292108/step Wall: 13146.2, 0.00292108/step, 0.46575 hours remaining, 208.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4426000 724.8213 2143.8462 1921.9383 108.2225 -206088.7170 17769.3354 0.0000 0.0000 34432.2240 -148988.3293 300.7052 -183420.5532 -148895.2618 299.5022 170.8679 203.5209 557092.7626 4.4507 4.4589 PRESSURE: 4426200 -251.274 12.3968 171.224 12.3967 217.954 113.291 171.224 113.291 -0.606162 GPRESSURE: 4426200 -168.042 55.9941 134.608 22.597 194.133 112.966 190.195 57.1237 45.2264 PRESSAVG: 4426200 -4.02114 -29.3715 -0.76276 -29.3715 -15.4222 3.82748 -0.762798 3.82744 26.5255 GPRESSAVG: 4426200 -3.36366 -30.8328 0.0191888 -29.3307 -15.7278 5.1613 -2.76731 2.05249 26.0891 TIMING: 4426200 CPU: 13146.7, 0.00292946/step Wall: 13146.7, 0.00292946/step, 0.466924 hours remaining, 208.937500 MB of memory in use. ENERGY: 4426200 752.8760 2096.5504 1934.5630 116.0862 -206109.1614 17739.3668 0.0000 0.0000 34356.5758 -149113.1431 300.0445 -183469.7189 -149013.0926 300.2030 -11.3089 23.7723 557427.9925 2.3607 2.3325 PRESSURE: 4426400 273.027 43.5184 71.3084 43.518 -12.4517 -15.206 71.3088 -15.2077 19.909 GPRESSURE: 4426400 288.738 46.564 51.6536 49.9341 -26.4339 10.5232 45.578 40.7263 118.086 PRESSAVG: 4426400 -42.9228 -51.8339 -8.79702 -51.8338 20.052 4.04756 -8.79701 4.04745 21.8426 GPRESSAVG: 4426400 -43.4496 -49.1886 -9.17665 -51.4952 20.7419 5.35412 -7.48066 5.62112 22.302 TIMING: 4426400 CPU: 13147.3, 0.00294406/step Wall: 13147.3, 0.00294406/step, 0.469087 hours remaining, 208.937500 MB of memory in use. ENERGY: 4426400 765.3130 2093.9941 1939.6694 112.6235 -206439.7271 17935.7019 0.0000 0.0000 34401.2808 -149191.1444 300.4349 -183592.4252 -149100.0809 299.5569 93.4948 126.7969 558168.9292 -0.3427 -0.1352 PRESSURE: 4426600 300.459 3.57504 -175.178 3.57621 -25.4411 47.8742 -175.178 47.8737 164.107 GPRESSURE: 4426600 331.794 49.0493 -185.206 -44.3911 14.737 148.283 -113.523 -62.7895 176.765 PRESSAVG: 4426600 -13.5801 -31.4906 35.6824 -31.4904 -16.5727 6.9017 35.6824 6.90157 29.5691 GPRESSAVG: 4426600 -13.9468 -32.1388 35.0409 -31.6203 -15.898 5.93887 36.5818 6.07356 29.4784 TIMING: 4426600 CPU: 13147.9, 0.00292873/step Wall: 13147.9, 0.00292873/step, 0.466481 hours remaining, 208.937500 MB of memory in use. ENERGY: 4426600 757.3507 2109.9562 1932.6745 120.0369 -206584.4106 18049.6646 0.0000 0.0000 34439.8682 -149174.8594 300.7719 -183614.7276 -149079.3544 299.3435 146.3752 174.4320 557809.7826 -0.1946 -0.1221 PRESSURE: 4426800 -257.868 -46.2349 2.70004 -46.2361 -236.091 42.8227 2.69988 42.8216 128.028 GPRESSURE: 4426800 -249.565 -106.307 52.8076 -15.9166 -144.427 131.516 -13.0912 27.0789 134.861 PRESSAVG: 4426800 -70.5598 -55.3661 4.73279 -55.3661 6.40239 43.7451 4.73291 43.745 35.0051 GPRESSAVG: 4426800 -70.2742 -57.5648 2.11176 -54.6126 6.87035 43.275 4.59471 44.4307 35.3506 TIMING: 4426800 CPU: 13148.5, 0.00294089/step Wall: 13148.5, 0.00294089/step, 0.468254 hours remaining, 208.937500 MB of memory in use. ENERGY: 4426800 745.4932 2089.0484 1919.6984 118.5997 -205956.9049 17808.8748 0.0000 0.0000 34187.8747 -149087.3157 298.5712 -183275.1904 -148995.1430 299.5028 -121.9769 -86.3770 558317.0794 -9.7175 -9.3511 PRESSURE: 4427000 14.0331 57.3483 258.519 57.3487 -41.6237 22.403 258.519 22.4024 -29.051 GPRESSURE: 4427000 37.725 71.3646 254.337 115.788 -14.7465 47.8638 201.973 29.8265 27.2179 PRESSAVG: 4427000 42.5287 1.90246 -18.438 1.9025 -29.3773 29.4197 -18.4378 29.4197 41.1898 GPRESSAVG: 4427000 42.5128 0.745135 -19.0465 3.49287 -31.0513 28.6311 -18.2016 27.1769 42.303 TIMING: 4427000 CPU: 13149.1, 0.0029114/step Wall: 13149.1, 0.0029114/step, 0.463398 hours remaining, 208.937500 MB of memory in use. ENERGY: 4427000 713.4568 2065.1270 1919.1604 111.6782 -206192.0056 17759.3142 0.0000 0.0000 34289.3482 -149333.9209 299.4574 -183623.2691 -149240.0098 299.3693 -18.8805 16.7321 556301.1279 18.1137 17.9215 PRESSURE: 4427200 105.488 116.289 -41.069 116.288 -78.2589 25.5057 -41.0687 25.5066 -291.528 GPRESSURE: 4427200 154.437 95.945 -89.7324 53.6652 6.90909 42.3136 19.7729 0.292662 -341.375 PRESSAVG: 4427200 20.9831 -70.9485 -28.1893 -70.9484 -70.223 9.49683 -28.1893 9.49674 34.2869 GPRESSAVG: 4427200 22.0669 -70.9868 -27.7876 -69.3702 -70.0008 10.3512 -25.2542 12.1868 33.663 TIMING: 4427200 CPU: 13149.7, 0.00293215/step Wall: 13149.7, 0.00293215/step, 0.466538 hours remaining, 208.937500 MB of memory in use. ENERGY: 4427200 754.1692 2054.3829 1942.8319 124.6475 -206087.5755 17674.5060 0.0000 0.0000 34197.9812 -149339.0567 298.6595 -183537.0379 -149240.7030 298.1973 -88.0996 -60.0095 557864.8980 -4.9843 -4.7570 PRESSURE: 4427400 -355.175 -86.6345 199.627 -86.6349 -101.703 136.69 199.628 136.691 -279.59 GPRESSURE: 4427400 -327.83 -110.605 297.309 -57.6549 -41.9302 143.587 165.019 105.63 -286.388 PRESSAVG: 4427400 85.385 -13.5471 19.4811 -13.5471 -48.0807 4.81804 19.481 4.81805 -61.0816 GPRESSAVG: 4427400 84.2066 -11.3077 21.4946 -15.1548 -47.1719 4.45665 16.9674 3.54958 -61.0555 TIMING: 4427400 CPU: 13150.3, 0.00293436/step Wall: 13150.3, 0.00293436/step, 0.466725 hours remaining, 208.937500 MB of memory in use. ENERGY: 4427400 749.7539 2050.3699 1926.0162 99.8365 -206131.4567 17657.4075 0.0000 0.0000 34135.6467 -149512.4260 298.1151 -183648.0727 -149420.5670 298.1861 -245.4893 -218.7160 557704.5357 -7.9258 -8.0070 PRESSURE: 4427600 -89.4134 -110.348 -85.8833 -110.348 165.876 -50.4838 -85.8838 -50.4838 -151.886 GPRESSURE: 4427600 -50.2629 -68.8727 -100.19 -86.9796 145.007 -94.1063 -16.3157 32.3617 -81.4124 PRESSAVG: 4427600 47.7589 -43.4678 22.5031 -43.4678 -7.31247 42.5494 22.5032 42.5495 -22.5888 GPRESSAVG: 4427600 48.4383 -44.2386 23.4936 -43.1788 -8.03564 43.1402 21.133 42.7998 -22.4968 TIMING: 4427600 CPU: 13150.8, 0.00292303/step Wall: 13150.8, 0.00292303/step, 0.464761 hours remaining, 208.937500 MB of memory in use. ENERGY: 4427600 750.4772 2152.6813 1934.7547 118.6786 -206629.1758 17864.9091 0.0000 0.0000 34227.6037 -149580.0712 298.9182 -183807.6749 -149493.6505 298.3160 -25.1413 4.4439 557751.3736 5.9526 5.9686 PRESSURE: 4427800 264.044 -82.3094 -78.7288 -82.3103 158.897 -213.779 -78.7283 -213.779 -43.2404 GPRESSURE: 4427800 318.323 -26.9892 -111.757 -102.559 132.915 -177.305 18.8235 -179.525 19.7189 PRESSAVG: 4427800 36.9471 -103.065 -23.7154 -103.065 8.67006 -17.4109 -23.7154 -17.4108 -83.2099 GPRESSAVG: 4427800 38.3575 -103.351 -24.0089 -102.981 9.08295 -16.3491 -21.6616 -19.1452 -83.9029 TIMING: 4427800 CPU: 13151.4, 0.00295694/step Wall: 13151.4, 0.00295694/step, 0.46999 hours remaining, 208.937500 MB of memory in use. ENERGY: 4427800 704.6277 2100.9408 1950.6091 126.4299 -206565.8946 18008.7152 0.0000 0.0000 33994.3904 -149680.1815 296.8815 -183674.5719 -149585.7656 297.5510 126.5671 156.9856 556797.5981 -12.5309 -12.1542 PRESSURE: 4428000 0.0267388 -65.1356 -60.1355 -65.1351 -141.792 -100.176 -60.1358 -100.175 73.4987 GPRESSURE: 4428000 26.9203 -93.3181 28.3366 -19.0446 -98.4794 -195.072 -95.9026 -156.5 90.4672 PRESSAVG: 4428000 35.3155 -24.7953 -64.9744 -24.7953 -8.48659 24.4329 -64.9744 24.4329 3.65047 GPRESSAVG: 4428000 34.2238 -24.2959 -66.5822 -24.5102 -9.36106 22.9009 -65.2984 26.352 5.15442 TIMING: 4428000 CPU: 13152, 0.0029366/step Wall: 13152, 0.0029366/step, 0.466593 hours remaining, 208.937500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4428000 690.8186 2137.7429 1929.5336 117.3414 -206512.5331 17821.0830 0.0000 0.0000 34176.7644 -149639.2492 298.4742 -183816.0136 -149549.3472 298.4259 -22.7554 6.3027 557457.4393 10.1598 10.0057 PRESSURE: 4428200 104.886 128.528 -48.3377 128.527 280.664 -50.1043 -48.3376 -50.1037 -55.6449 GPRESSURE: 4428200 145.463 42.1188 -95.0342 195.375 296.253 -113.055 -36.2629 1.25484 -20.0081 PRESSAVG: 4428200 27.3574 -10.5779 -30.1383 -10.578 40.7553 -18.5789 -30.1383 -18.5789 -62.2797 GPRESSAVG: 4428200 26.6586 -9.9912 -29.2354 -10.2827 42.3745 -18.4692 -30.7597 -17.9473 -63.1884 TIMING: 4428200 CPU: 13152.6, 0.00293367/step Wall: 13152.6, 0.00293367/step, 0.465964 hours remaining, 208.937500 MB of memory in use. ENERGY: 4428200 719.3230 2102.7064 1933.0506 106.5617 -206427.1225 17952.0824 0.0000 0.0000 34016.7010 -149596.6974 297.0763 -183613.3984 -149507.7302 298.2025 109.9685 140.5694 558099.3047 1.9443 1.9482 LDB: ============= START OF LOAD BALANCING ============== 13156.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13156.2 LDB: =============== DONE WITH MIGRATION ================ 13156.2 LDB: ============= START OF LOAD BALANCING ============== 13156.5 LDB: Largest compute 4809 load 0.021713 is 18.4% of average load 0.118241 LDB: Average compute 0.001742 is 1.5% of average load 0.118241 LDB: TIME 13156.5 LOAD: AVG 0.118241 MAX 0.19562 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.547 MB LDB: TIME 13156.5 LOAD: AVG 0.118241 MAX 0.19562 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.547 MB LDB: TIME 13156.5 LOAD: AVG 0.118241 MAX 0.19562 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.547 MB LDB: ============== END OF LOAD BALANCING =============== 13156.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13156.5 PRESSURE: 4428400 -53.4112 95.5077 -250.185 95.5088 28.7076 -103.527 -250.185 -103.528 -70.4177 GPRESSURE: 4428400 -31.2581 70.2786 -237.918 106.712 60.6599 -102.112 -181.589 -158.485 -19.3951 PRESSAVG: 4428400 -5.34936 12.3168 -22.6511 12.3167 39.5761 10.3141 -22.6511 10.3141 -34.5575 GPRESSAVG: 4428400 -6.16808 10.9845 -22.1666 12.4057 40.4019 11.1908 -23.4047 10.2347 -34.613 TIMING: 4428400 CPU: 13153.2, 0.00299837/step Wall: 13153.2, 0.00299837/step, 0.476075 hours remaining, 209.000000 MB of memory in use. ENERGY: 4428400 764.4019 2038.0235 1961.3499 122.8817 -206520.4109 17902.6427 0.0000 0.0000 34180.0338 -149551.0774 298.5027 -183731.1112 -149457.5528 297.8019 -31.7071 3.3356 557976.0101 -0.1102 -0.1264 PRESSURE: 4428600 -127.063 75.7369 -46.2138 75.7369 -59.4998 85.5009 -46.2138 85.5 4.22071 GPRESSURE: 4428600 -22.7863 26.3857 -1.67735 160.587 -124.181 83.506 -105.712 55.4396 67.2894 PRESSAVG: 4428600 -32.8721 3.62822 -53.2886 3.62828 21.0512 -2.23042 -53.2886 -2.23054 26.2988 GPRESSAVG: 4428600 -32.3153 3.5257 -54.288 4.18873 19.0034 -2.25549 -51.6748 -0.891303 27.3131 TIMING: 4428600 CPU: 13153.8, 0.00292197/step Wall: 13153.8, 0.00292197/step, 0.463781 hours remaining, 209.000000 MB of memory in use. ENERGY: 4428600 760.3537 2001.9478 1928.0900 115.2004 -206475.6517 17821.0919 0.0000 0.0000 34185.8506 -149663.1173 298.5535 -183848.9679 -149562.3267 298.5826 -60.7807 -26.5594 556163.6720 4.8259 4.6671 PRESSURE: 4428800 204.172 54.3049 -6.51268 54.3036 109.176 -109.951 -6.51127 -109.951 -141.745 GPRESSURE: 4428800 251.472 82.8944 -23.5162 23.1054 123.885 -52.7987 71.2782 -144.05 -114.311 PRESSAVG: 4428800 84.9954 11.9568 2.82341 11.9569 -1.90449 -8.83771 2.8234 -8.83771 -47.0789 GPRESSAVG: 4428800 84.8488 12.1308 4.26881 11.8913 -1.22783 -8.26554 2.72362 -11.3957 -47.3795 TIMING: 4428800 CPU: 13154.4, 0.00292177/step Wall: 13154.4, 0.00292177/step, 0.463588 hours remaining, 209.000000 MB of memory in use. ENERGY: 4428800 750.6865 2075.8427 1963.6467 109.1561 -206645.7799 17926.4503 0.0000 0.0000 34228.9896 -149591.0080 298.9303 -183819.9976 -149491.3312 297.9517 57.2012 87.0153 554912.0049 12.0040 12.0805 PRESSURE: 4429000 98.8889 -35.1482 31.4305 -35.1475 -157.662 -4.06704 31.4302 -4.0659 108.501 GPRESSURE: 4429000 142.696 -135.637 5.94882 -9.89733 -139.928 -48.9874 35.6198 7.8599 147.258 PRESSAVG: 4429000 76.2843 58.3296 -0.175358 58.3296 -21.1987 -25.3758 -0.175469 -25.3758 -47.6477 GPRESSAVG: 4429000 76.658 59.0759 -1.40608 55.3577 -21.7874 -25.2177 -0.0559635 -25.3484 -47.2336 TIMING: 4429000 CPU: 13155, 0.00293721/step Wall: 13155, 0.00293721/step, 0.465873 hours remaining, 209.000000 MB of memory in use. ENERGY: 4429000 662.1887 2099.5301 1937.9189 109.4612 -206294.3696 17626.8309 0.0000 0.0000 34171.7528 -149686.6870 298.4304 -183858.4398 -149589.8450 299.2517 16.5760 50.0084 556276.1932 2.4793 2.5457 PRESSURE: 4429200 13.556 -19.9176 -23.7421 -19.9189 -52.4015 33.4338 -23.7422 33.4319 111.518 GPRESSURE: 4429200 21.6194 -21.3932 -30.8746 -3.98335 15.8714 51.906 36.6381 -28.5578 128.494 PRESSAVG: 4429200 8.07176 -17.9788 -55.9773 -17.9789 -3.98055 -49.689 -55.9772 -49.689 -17.3611 GPRESSAVG: 4429200 8.47595 -17.8724 -56.2908 -16.3209 -2.74615 -50.9602 -53.8181 -50.2078 -18.2064 TIMING: 4429200 CPU: 13155.6, 0.00293011/step Wall: 13155.6, 0.00293011/step, 0.464586 hours remaining, 209.000000 MB of memory in use. ENERGY: 4429200 730.7907 2117.1924 1945.9816 107.5898 -206285.1889 17745.6718 0.0000 0.0000 34023.0558 -149614.9069 297.1318 -183637.9627 -149524.8000 297.9242 24.2243 55.3281 555956.5880 -4.4233 -4.1589 PRESSURE: 4429400 -21.0778 -45.735 -98.6515 -45.7355 -197.986 66.1905 -98.6525 66.1905 -161.586 GPRESSURE: 4429400 -31.1483 -94.7147 -208.217 -55.9688 -135.637 41.088 -62.3828 91.982 -115.424 PRESSAVG: 4429400 -35.5902 -37.0843 15.4894 -37.0844 -21.7857 -28.1545 15.4894 -28.1544 73.8276 GPRESSAVG: 4429400 -36.3372 -36.6783 14.4762 -35.7925 -20.5275 -29.9187 11.7534 -25.646 73.476 TIMING: 4429400 CPU: 13156.1, 0.00293413/step Wall: 13156.1, 0.00293413/step, 0.46506 hours remaining, 209.000000 MB of memory in use. ENERGY: 4429400 710.7379 2037.7486 1940.5895 110.8807 -206525.9317 17640.0384 0.0000 0.0000 34361.9664 -149723.9702 300.0916 -184085.9366 -149626.4257 298.1160 -126.8832 -94.0699 556027.4435 5.4839 5.5371 PRESSURE: 4429600 17.2037 -15.7741 -105.68 -15.7744 196.168 -48.6305 -105.681 -48.6301 148.016 GPRESSURE: 4429600 75.4318 -88.5774 -112.062 1.02557 233.398 -10.1613 -84.2314 -25.3683 152.325 PRESSAVG: 4429600 -36.0266 33.3888 -41.5913 33.3888 -30.0306 9.85736 -41.5913 9.85736 100.14 GPRESSAVG: 4429600 -36.176 34.3499 -42.3767 31.4193 -29.6467 9.6442 -38.9061 8.26657 99.8892 TIMING: 4429600 CPU: 13156.7, 0.00294532/step Wall: 13156.7, 0.00294532/step, 0.46667 hours remaining, 209.000000 MB of memory in use. ENERGY: 4429600 719.0352 2110.5893 1955.2932 123.1179 -206550.8671 17839.1189 0.0000 0.0000 34297.9940 -149505.7186 299.5329 -183803.7126 -149412.2109 298.8144 120.4626 153.7184 554875.6283 11.3610 11.3555 PRESSURE: 4429800 13.9883 88.4219 -56.9053 88.4215 -152.295 20.1848 -56.9059 20.186 -154.629 GPRESSURE: 4429800 -8.95012 82.7542 54.4104 55.1625 -63.8348 30.1907 -63.1869 47.5316 -124.374 PRESSAVG: 4429800 -55.0916 26.2916 46.8039 26.2915 -7.42624 6.16213 46.804 6.16211 57.0353 GPRESSAVG: 4429800 -55.0063 25.3935 47.6201 27.2893 -8.87757 6.99607 44.2298 5.72134 58.0526 TIMING: 4429800 CPU: 13157.3, 0.0029532/step Wall: 13157.3, 0.0029532/step, 0.467754 hours remaining, 209.000000 MB of memory in use. ENERGY: 4429800 793.8069 2107.7655 1920.0128 109.7122 -206133.1221 17525.1386 0.0000 0.0000 34144.0024 -149532.6837 298.1881 -183676.6861 -149431.8200 298.8520 -97.6454 -65.7196 555158.3897 -1.8275 -1.9438 PRESSURE: 4430000 -96.7373 -4.18868 129.493 -4.18979 -114.645 -143.466 129.492 -143.467 -16.1908 GPRESSURE: 4430000 -38.4913 12.5712 70.9446 -80.5884 -107.575 -250.034 182.907 10.8352 15.5093 PRESSAVG: 4430000 -9.84166 29.5809 -31.4434 29.5809 -6.27329 -33.1175 -31.4434 -33.1174 -0.257684 GPRESSAVG: 4430000 -10.1665 29.8336 -30.9479 29.9265 -5.55222 -32.2445 -29.0893 -31.9803 -1.06259 TIMING: 4430000 CPU: 13157.9, 0.00297035/step Wall: 13157.9, 0.00297035/step, 0.470305 hours remaining, 209.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4430000 737.2238 2117.3451 1966.3943 106.7831 -206484.8419 17793.0126 0.0000 0.0000 34178.2852 -149585.7979 298.4875 -183764.0831 -149497.2459 298.8052 -75.8578 -43.5191 555953.4721 -5.4575 -5.5938 PRESSURE: 4430200 -183.911 -311.981 -93.2075 -311.98 -48.5577 -15.7587 -93.2087 -15.7591 293.911 GPRESSURE: 4430200 -150.229 -302.166 -16.8961 -252.831 4.54362 13.0646 -53.2194 -100.995 302.47 PRESSAVG: 4430200 -63.2137 -21.8413 16.5654 -21.8412 24.1719 0.275672 16.5654 0.275641 45.2907 GPRESSAVG: 4430200 -63.6456 -21.45 17.9996 -23.0723 23.8597 0.0781812 14.3788 0.561362 45.5976 TIMING: 4430200 CPU: 13158.5, 0.00293989/step Wall: 13158.5, 0.00293989/step, 0.46532 hours remaining, 209.000000 MB of memory in use. ENERGY: 4430200 785.1422 2094.4446 1912.0335 102.5130 -206398.3775 17797.7579 0.0000 0.0000 34093.6602 -149612.8261 297.7484 -183706.4863 -149521.3666 297.8155 20.4810 52.2616 554952.0381 2.0830 1.9372 PRESSURE: 4430400 90.9841 -16.1591 211.604 -16.1597 72.1548 -62.1648 211.604 -62.1648 -138.487 GPRESSURE: 4430400 71.9339 -81.4405 147.926 38.6545 151.792 -41.2005 217.73 -148.79 -99.1955 PRESSAVG: 4430400 28.4041 7.05933 18.1733 7.05931 40.4335 -41.5833 18.1731 -41.5831 8.91993 GPRESSAVG: 4430400 28.024 7.98215 16.528 6.52492 41.7133 -42.373 19.0264 -43.0447 8.34426 TIMING: 4430400 CPU: 13159.1, 0.0029191/step Wall: 13159.1, 0.0029191/step, 0.461866 hours remaining, 209.000000 MB of memory in use. ENERGY: 4430400 754.4545 2110.7957 1953.7573 103.1854 -206321.6487 17784.6874 0.0000 0.0000 34070.5501 -149544.2182 297.5466 -183614.7683 -149449.9235 298.5567 8.2174 41.5101 557945.1895 25.9192 26.0272 PRESSURE: 4430600 -80.8604 60.6821 -4.72973 60.6819 98.9765 32.7816 -4.72968 32.7808 -260.778 GPRESSURE: 4430600 -41.7266 45.2641 -15.1396 177.185 121.923 24.6553 -20.5295 64.3863 -228.857 PRESSAVG: 4430600 -53.3095 27.7653 -25.58 27.7653 5.55657 7.13848 -25.58 7.13842 15.9483 GPRESSAVG: 4430600 -51.6783 25.6498 -25.1916 28.774 3.80682 7.82086 -26.2281 9.56029 15.7309 TIMING: 4430600 CPU: 13159.7, 0.00291167/step Wall: 13159.7, 0.00291167/step, 0.460529 hours remaining, 209.000000 MB of memory in use. ENERGY: 4430600 818.7792 2054.1826 1927.3978 103.1071 -206722.0473 17950.7193 0.0000 0.0000 34256.2553 -149611.6060 299.1684 -183867.8613 -149516.0046 298.4936 -80.8872 -49.5534 556848.7289 -10.6015 -10.7135 PRESSURE: 4430800 200.815 40.9028 258.391 40.9024 -95.3033 327.482 258.391 327.482 -19.0419 GPRESSURE: 4430800 190.915 101.633 217.45 4.65936 -57.6447 333.914 267.678 287.752 49.5018 PRESSAVG: 4430800 23.3216 -23.7394 16.9064 -23.7393 -38.8809 -24.2168 16.9063 -24.2168 -5.70057 GPRESSAVG: 4430800 21.8223 -23.4821 17.4007 -24.7691 -37.3478 -23.1344 18.5095 -25.9502 -5.85495 TIMING: 4430800 CPU: 13160.3, 0.00293378/step Wall: 13160.3, 0.00293378/step, 0.463863 hours remaining, 209.000000 MB of memory in use. ENERGY: 4430800 751.7140 2067.4897 1946.7629 119.4187 -206438.4621 18032.4111 0.0000 0.0000 34022.3675 -149498.2981 297.1258 -183520.6656 -149401.0314 298.7542 28.8231 60.9239 556595.7358 -7.0866 -7.1268 PRESSURE: 4431000 67.3693 -22.3926 -0.0328173 -22.3915 27.7898 -62.8159 -0.0326537 -62.8146 -169.073 GPRESSURE: 4431000 108.51 11.1824 22.2855 9.58866 115.954 -19.9988 -5.62302 -156.184 -197.948 PRESSAVG: 4431000 44.9324 -60.7676 2.46046 -60.7676 -61.3742 17.8079 2.46046 17.8079 6.04601 GPRESSAVG: 4431000 45.6591 -59.4981 1.99205 -60.2946 -62.1593 17.12 1.28003 16.6308 5.68544 TIMING: 4431000 CPU: 13160.8, 0.0029456/step Wall: 13160.8, 0.0029456/step, 0.465568 hours remaining, 209.000000 MB of memory in use. ENERGY: 4431000 734.7263 2140.8515 1938.2571 116.3554 -206460.5686 17879.7466 0.0000 0.0000 34262.5219 -149388.1098 299.2231 -183650.6317 -149292.2475 298.8434 -24.6380 8.8388 557899.9582 -3.4653 -3.6049 PRESSURE: 4431200 -271.608 152.836 78.3105 152.835 -37.4377 -18.605 78.3098 -18.6061 46.9891 GPRESSURE: 4431200 -217.279 204.957 41.9353 97.0781 28.2475 -67.9936 -30.4403 20.4529 14.3214 PRESSAVG: 4431200 -32.1924 -35.3787 25.5091 -35.3787 54.6594 -4.45793 25.5091 -4.45782 -13.5427 GPRESSAVG: 4431200 -31.9751 -35.3009 28.093 -35.3004 55.1011 -3.84019 25.5945 -2.19412 -14.0689 TIMING: 4431200 CPU: 13161.4, 0.00295829/step Wall: 13161.4, 0.00295829/step, 0.46741 hours remaining, 209.000000 MB of memory in use. ENERGY: 4431200 781.4656 2097.8031 1932.9214 118.7455 -206142.8778 17740.5520 0.0000 0.0000 34073.7386 -149397.6516 297.5744 -183471.3902 -149307.0135 298.5880 -87.3521 -58.2366 558449.1469 2.9748 3.0190 PRESSURE: 4431400 -35.7807 8.24781 63.3812 8.25018 -221.135 11.8477 63.3801 11.8463 1.56718 GPRESSURE: 4431400 3.51223 -15.9117 40.9818 33.6662 -223.809 45.3321 98.7557 -20.2831 56.8712 PRESSAVG: 4431400 -25.9176 42.4311 18.6077 42.4311 -9.94145 -11.0842 18.6077 -11.0841 12.6942 GPRESSAVG: 4431400 -25.8791 40.6099 17.096 42.8593 -9.68954 -10.6522 18.762 -10.3093 12.2959 TIMING: 4431400 CPU: 13162, 0.00296676/step Wall: 13162, 0.00296676/step, 0.468583 hours remaining, 209.000000 MB of memory in use. ENERGY: 4431400 769.1769 2064.6895 1931.5957 110.6635 -206450.3671 17848.5873 0.0000 0.0000 34187.1490 -149538.5052 298.5649 -183725.6542 -149447.4612 298.7516 -85.1163 -54.4752 558129.6233 -7.7216 -7.7576 PRESSURE: 4431600 -141.767 39.6666 -35.7712 39.6679 -107.023 -124.267 -35.7708 -124.27 -69.2368 GPRESSURE: 4431600 -122.591 111.508 -47.3487 36.771 -72.6604 -146.985 -31.3934 -46.2116 -27.4681 PRESSAVG: 4431600 22.3615 -10.4278 28.7388 -10.4278 0.779936 -42.6461 28.7388 -42.6462 15.0477 GPRESSAVG: 4431600 23.2833 -11.7228 27.1927 -11.161 0.0710931 -45.514 29.2188 -44.7027 15.2789 TIMING: 4431600 CPU: 13162.6, 0.00293485/step Wall: 13162.6, 0.00293485/step, 0.46338 hours remaining, 209.000000 MB of memory in use. ENERGY: 4431600 747.6844 2108.1339 1943.2656 119.0643 -206235.7861 17687.7589 0.0000 0.0000 34288.9391 -149340.9398 299.4538 -183629.8789 -149242.4825 298.8102 -106.0089 -74.2399 557824.4031 12.7297 12.8778 PRESSURE: 4431800 -100.985 110.69 13.1224 110.69 -16.157 -19.6116 13.1223 -19.6135 -66.1353 GPRESSURE: 4431800 -37.7093 76.3001 -9.35947 146.852 18.9779 43.1284 -45.3449 -0.455548 -69.141 PRESSAVG: 4431800 -25.5737 -46.3302 19.1371 -46.3302 50.4491 -26.8521 19.1371 -26.8521 18.0727 GPRESSAVG: 4431800 -26.7835 -43.4008 20.4943 -44.8974 50.9601 -24.5702 17.2687 -26.5682 19.096 TIMING: 4431800 CPU: 13163.2, 0.00291716/step Wall: 13163.2, 0.00291716/step, 0.460425 hours remaining, 209.000000 MB of memory in use. ENERGY: 4431800 750.5023 2100.9244 1928.3165 120.0025 -206329.9401 17718.0987 0.0000 0.0000 34393.1388 -149318.9568 300.3638 -183712.0957 -149214.4421 299.5808 -61.0924 -29.2908 556422.2701 14.3160 14.4242 PRESSURE: 4432000 52.5497 71.0349 -50.3593 71.0351 -9.05053 -124.534 -50.3597 -124.534 127.577 GPRESSURE: 4432000 45.4455 40.7379 22.8352 67.6951 52.9696 -92.3945 -83.2177 -83.953 161.474 PRESSAVG: 4432000 14.6325 44.2324 38.3822 44.2325 57.2288 -6.51788 38.3823 -6.51787 -21.0354 GPRESSAVG: 4432000 13.806 45.1956 37.0148 40.1942 56.8792 -8.03998 40.4676 -5.97397 -19.5976 TIMING: 4432000 CPU: 13163.8, 0.00295085/step Wall: 13163.8, 0.00295085/step, 0.465579 hours remaining, 209.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4432000 703.8174 2066.3331 1942.3721 112.7867 -206103.2732 17654.3972 0.0000 0.0000 34124.3567 -149499.2100 298.0165 -183623.5666 -149401.3860 299.0393 57.0253 86.6297 556466.0441 16.9420 17.0292 PRESSURE: 4432200 116.051 -46.015 -96.8117 -46.0148 -24.8934 -10.2657 -96.8128 -10.2656 -107.69 GPRESSURE: 4432200 191.536 -20.4211 -37.4903 -102.335 -0.170249 -14.7903 -161.822 -121.564 -112.41 PRESSAVG: 4432200 48.3561 -8.00673 -21.2037 -8.00681 7.61229 5.64277 -21.2039 5.64268 -49.3631 GPRESSAVG: 4432200 49.5915 -9.73084 -19.1052 -5.89872 7.1084 6.33435 -22.516 4.02111 -50.4484 TIMING: 4432200 CPU: 13164.4, 0.00294389/step Wall: 13164.4, 0.00294389/step, 0.464317 hours remaining, 209.066406 MB of memory in use. ENERGY: 4432200 730.7551 2113.7191 1944.1077 116.2567 -206335.7468 17932.2848 0.0000 0.0000 34058.5754 -149440.0480 297.4420 -183498.6234 -149353.2494 298.5561 -5.5108 26.3187 558615.5659 2.2018 2.0838 LDB: ============= START OF LOAD BALANCING ============== 13167.9 LDB: ============== END OF LOAD BALANCING =============== 13167.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13167.9 LDB: ============= START OF LOAD BALANCING ============== 13168.2 LDB: Largest compute 4809 load 0.022611 is 19.1% of average load 0.118248 LDB: Average compute 0.001742 is 1.5% of average load 0.118248 LDB: TIME 13168.2 LOAD: AVG 0.118248 MAX 0.198012 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.32 MB LDB: TIME 13168.2 LOAD: AVG 0.118248 MAX 0.198012 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.32 MB LDB: TIME 13168.2 LOAD: AVG 0.118248 MAX 0.198012 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.32 MB LDB: ============== END OF LOAD BALANCING =============== 13168.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13168.2 PRESSURE: 4432400 -90.7786 -119.809 33.3394 -119.808 326.177 -66.2431 33.3401 -66.2435 369.066 GPRESSURE: 4432400 -34.6347 -194.232 9.85666 -93.5797 336.166 -102.998 16.875 10.2 392.694 PRESSAVG: 4432400 -35.2301 -16.6016 -17.7135 -16.6015 -7.56615 -14.7937 -17.7136 -14.7938 38.478 GPRESSAVG: 4432400 -34.8419 -19.4761 -17.8236 -14.7731 -7.88827 -15.8812 -18.1495 -13.1119 38.7584 TIMING: 4432400 CPU: 13165, 0.00301238/step Wall: 13165, 0.00301238/step, 0.474952 hours remaining, 211.375000 MB of memory in use. ENERGY: 4432400 703.1736 2107.1315 1938.8958 107.6595 -206413.0038 17983.4050 0.0000 0.0000 34309.0269 -149263.7116 299.6293 -183572.7385 -149175.2183 298.3386 201.4881 231.4084 557419.6209 -1.4394 -1.3239 PRESSURE: 4432600 -174.928 67.0245 130.393 67.0252 266.688 56.574 130.393 56.5742 224.907 GPRESSURE: 4432600 -118.586 157.473 20.697 55.7082 283.989 -19.947 197.472 47.0542 249.483 PRESSAVG: 4432600 -39.8338 13.9272 -26.6134 13.9272 -17.2435 39.0714 -26.6135 39.0713 51.9699 GPRESSAVG: 4432600 -40.0279 15.9885 -27.1334 13.0584 -18.217 39.3595 -26.4781 40.2567 52.7414 TIMING: 4432600 CPU: 13165.6, 0.0029554/step Wall: 13165.6, 0.0029554/step, 0.465804 hours remaining, 211.445312 MB of memory in use. ENERGY: 4432600 744.5841 2070.7740 1934.6187 102.4428 -206487.4743 18031.1774 0.0000 0.0000 34426.6282 -149177.2492 300.6563 -183603.8774 -149089.2358 298.9981 105.5557 138.2952 557559.1972 -1.7025 -1.8345 PRESSURE: 4432800 -18.207 59.2183 -121.043 59.218 21.4496 -94.748 -121.044 -94.7485 539.305 GPRESSURE: 4432800 46.007 -75.2571 -121.821 75.4266 65.3074 -105.494 -102.22 -127.834 544.847 PRESSAVG: 4432800 -14.8309 -50.9513 1.00166 -50.9513 -73.3387 -17.7553 1.00169 -17.7552 87.4975 GPRESSAVG: 4432800 -15.5352 -49.1757 0.77707 -50.466 -71.556 -15.0325 0.615905 -19.1147 86.1906 TIMING: 4432800 CPU: 13166.2, 0.00294782/step Wall: 13166.2, 0.00294782/step, 0.464445 hours remaining, 211.445312 MB of memory in use. ENERGY: 4432800 714.2322 2155.1974 1941.4291 116.9394 -206611.8493 18038.3411 0.0000 0.0000 34472.7301 -149172.9801 301.0589 -183645.7102 -149080.8549 299.5148 180.8492 218.7204 556882.0467 -0.2240 -0.3002 PRESSURE: 4433000 135.269 58.218 -167.667 58.2179 -252.481 149.834 -167.668 149.834 -137.968 GPRESSURE: 4433000 106.67 145.17 -164.691 84.7668 -179.669 101.33 -174.861 130.359 -85.116 PRESSAVG: 4433000 18.0549 -40.0565 -60.2195 -40.0565 20.0846 22.6426 -60.2195 22.6427 17.6384 GPRESSAVG: 4433000 19.4416 -41.6485 -57.768 -41.341 18.458 21.5144 -63.0769 23.4663 17.9553 TIMING: 4433000 CPU: 13166.7, 0.00292622/step Wall: 13166.7, 0.00292622/step, 0.460879 hours remaining, 211.445312 MB of memory in use. ENERGY: 4433000 747.1190 2126.7301 1964.6120 118.4171 -205778.9657 17430.5023 0.0000 0.0000 34225.0084 -149166.5769 298.8955 -183391.5852 -149066.0818 300.3206 -85.0600 -52.7051 556654.1882 18.5926 18.6183 PRESSURE: 4433200 -34.3216 8.48679 24.7527 8.48511 -56.4865 27.463 24.753 27.4626 -77.315 GPRESSURE: 4433200 -14.9005 -43.0125 -15.3448 7.89988 -12.6673 87.1929 -38.5408 21.6679 -52.6448 PRESSAVG: 4433200 6.79358 62.2784 3.51836 62.2784 -37.0779 3.55701 3.51834 3.55693 54.0467 GPRESSAVG: 4433200 6.04524 62.4828 2.74066 61.7946 -36.0769 3.30769 5.97751 3.33878 53.9324 TIMING: 4433200 CPU: 13167.3, 0.00294639/step Wall: 13167.3, 0.00294639/step, 0.463893 hours remaining, 211.445312 MB of memory in use. ENERGY: 4433200 746.1313 2142.5204 1963.7237 111.1934 -205982.2775 17568.4529 0.0000 0.0000 34176.1146 -149274.1412 298.4685 -183450.2558 -149178.2368 299.8003 -56.0411 -26.7376 555360.5919 7.9208 7.9669 PRESSURE: 4433400 62.5893 61.8321 -27.2763 61.8327 -146.459 4.70912 -27.2758 4.71006 126.591 GPRESSURE: 4433400 105.343 103.381 -13.5382 24.447 -92.1864 -78.7731 -75.5309 -18.2448 124.863 PRESSAVG: 4433400 -39.7966 -21.2891 7.82574 -21.2893 -8.76007 -39.1737 7.82573 -39.1736 31.4566 GPRESSAVG: 4433400 -39.3755 -22.4502 7.4072 -20.4298 -8.55855 -41.3792 7.61165 -38.1572 30.991 TIMING: 4433400 CPU: 13167.9, 0.00293443/step Wall: 13167.9, 0.00293443/step, 0.461847 hours remaining, 211.445312 MB of memory in use. ENERGY: 4433400 741.7324 2102.3967 1935.8108 104.6800 -206330.1879 17914.2374 0.0000 0.0000 34296.9269 -149234.4037 299.5236 -183531.3306 -149139.1925 299.2637 14.2405 46.0066 556963.8928 -5.7000 -5.6477 PRESSURE: 4433600 -43.4918 -41.5648 -80.3408 -41.564 -50.6012 -50.4585 -80.3401 -50.4577 213.121 GPRESSURE: 4433600 -15.8636 -2.89778 35.9191 -67.9852 3.54883 -45.3784 -83.6977 -93.9784 231.949 PRESSAVG: 4433600 -58.204 50.0502 -4.89396 50.0501 22.6774 -41.9225 -4.89392 -41.9225 18.6688 GPRESSAVG: 4433600 -57.7567 51.1992 -2.54133 50.5003 21.7521 -40.5063 -4.31968 -43.6784 19.1976 TIMING: 4433600 CPU: 13168.5, 0.00292637/step Wall: 13168.5, 0.00292637/step, 0.460416 hours remaining, 211.445312 MB of memory in use. ENERGY: 4433600 743.2685 2120.9233 1952.8934 121.3159 -206149.4426 17658.4906 0.0000 0.0000 34317.5470 -149235.0040 299.7037 -183552.5510 -149131.7008 299.7748 39.6760 73.2113 556941.5375 -5.6193 -5.6024 PRESSURE: 4433800 108.483 -19.3142 80.7626 -19.3134 155.175 -127.386 80.7627 -127.388 78.5064 GPRESSURE: 4433800 115.125 -36.327 149.421 -18.1862 203.23 -105.345 30.447 -103.986 115.771 PRESSAVG: 4433800 -6.00055 11.6233 59.049 11.6234 -9.72917 9.06622 59.049 9.06624 18.8547 GPRESSAVG: 4433800 -6.9946 12.2304 57.4801 9.02903 -8.44552 10.0361 60.5465 10.2331 18.4325 TIMING: 4433800 CPU: 13169.1, 0.0029026/step Wall: 13169.1, 0.0029026/step, 0.456514 hours remaining, 211.445312 MB of memory in use. ENERGY: 4433800 748.2130 2111.7249 1931.1397 118.7274 -206392.7650 17830.6426 0.0000 0.0000 34356.3588 -149295.9588 300.0426 -183652.3175 -149198.6257 299.3453 114.0548 144.7086 556030.8107 1.0417 0.9975 PRESSURE: 4434000 -321.536 62.2926 27.6357 62.2921 23.4376 -171.55 27.6353 -171.55 -316.615 GPRESSURE: 4434000 -348.195 128.207 57.9294 -54.5038 49.0517 -255.397 -80.7309 -66.591 -215.209 PRESSAVG: 4434000 0.554838 -3.0234 -30.1198 -3.02337 25.1259 -50.23 -30.1198 -50.23 -8.14982 GPRESSAVG: 4434000 0.504548 -4.24566 -31.0517 -0.98697 24.0569 -51.4181 -31.1773 -50.5476 -7.5098 TIMING: 4434000 CPU: 13169.7, 0.00292235/step Wall: 13169.7, 0.00292235/step, 0.459458 hours remaining, 211.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4434000 716.8244 2108.3842 1948.4109 110.1769 -205690.0797 17390.6501 0.0000 0.0000 34419.8863 -148995.7468 300.5974 -183415.6331 -148897.1080 300.3621 -204.9044 -171.4509 558292.3258 5.8436 5.6839 PRESSURE: 4434200 -40.907 204.844 51.1197 204.844 47.7335 -61.5284 51.1192 -61.5276 -103.716 GPRESSURE: 4434200 -30.5083 161.194 25.9492 215.426 90.2109 -57.4947 88.8584 -59.0455 -51.0891 PRESSAVG: 4434200 49.9425 -2.50008 46.282 -2.50012 -20.445 -43.822 46.2821 -43.8221 -24.14 GPRESSAVG: 4434200 49.4635 -0.963014 45.9929 -3.10128 -19.9625 -42.9349 46.5594 -43.5767 -23.5811 TIMING: 4434200 CPU: 13170.3, 0.00295222/step Wall: 13170.3, 0.00295222/step, 0.46399 hours remaining, 211.445312 MB of memory in use. ENERGY: 4434200 719.0383 2097.2371 1943.8241 110.0819 -206229.0214 17764.6193 0.0000 0.0000 34436.1266 -149158.0940 300.7393 -183594.2206 -149059.7180 300.2946 -32.2964 2.8712 559593.0664 1.7858 1.9733 PRESSURE: 4434400 -28.7585 22.3019 41.5372 22.3028 -84.6327 -141.09 41.538 -141.089 -256.151 GPRESSURE: 4434400 -32.0304 -21.4195 78.0131 64.377 -3.08013 -171.414 8.8395 -140.782 -232.328 PRESSAVG: 4434400 11.595 9.39569 23.0262 9.39572 11.6108 -28.1762 23.0263 -28.1762 -2.35108 GPRESSAVG: 4434400 12.5681 5.00903 26.0195 10.988 10.8326 -29.2815 21.1975 -28.6484 -2.69462 TIMING: 4434400 CPU: 13170.9, 0.0029722/step Wall: 13170.9, 0.0029722/step, 0.466965 hours remaining, 211.445312 MB of memory in use. ENERGY: 4434400 737.5135 2115.3885 1930.7194 110.8268 -206374.1808 17692.0111 0.0000 0.0000 34307.3393 -149480.3822 299.6145 -183787.7215 -149386.3734 299.6208 -123.1809 -89.1463 558854.6589 6.9516 6.9020 PRESSURE: 4434600 254.052 -23.0301 4.90568 -23.03 -197.534 -40.761 4.90662 -40.7609 85.6769 GPRESSURE: 4434600 211.149 -2.09652 5.04338 12.2536 -118.068 -83.4219 28.4068 56.3633 137.508 PRESSAVG: 4434600 -20.8613 11.8144 3.21799 11.8144 31.9174 -37.6491 3.21801 -37.6492 -24.3465 GPRESSAVG: 4434600 -21.7839 15.5723 2.80951 10.9805 32.5595 -35.48 4.8896 -38.7168 -24.407 TIMING: 4434600 CPU: 13171.5, 0.00298203/step Wall: 13171.5, 0.00298202/step, 0.468344 hours remaining, 211.445312 MB of memory in use. ENERGY: 4434600 703.6439 2121.4792 1938.2785 116.6584 -206568.9976 17911.7568 0.0000 0.0000 34220.3164 -149556.8643 298.8545 -183777.1807 -149462.8395 298.3027 47.3984 76.8630 558102.4598 -4.4301 -4.5438 PRESSURE: 4434800 349.221 71.9536 20.7259 71.9528 -101.617 -4.82114 20.7263 -4.82157 -232.198 GPRESSURE: 4434800 388.471 60.6278 -29.8576 175.389 -108.5 3.36909 1.62616 -62.8327 -162.75 PRESSAVG: 4434800 42.705 29.9947 45.5578 29.9948 -58.2712 -19.8347 45.5578 -19.8348 -27.344 GPRESSAVG: 4434800 42.9288 29.3581 44.6323 30.6529 -59.8081 -20.2735 45.1731 -19.5343 -26.1584 TIMING: 4434800 CPU: 13172, 0.00294743/step Wall: 13172, 0.00294743/step, 0.462746 hours remaining, 211.445312 MB of memory in use. ENERGY: 4434800 723.0068 2109.8079 1903.2162 107.2277 -206542.0353 17963.4050 0.0000 0.0000 34204.2721 -149531.0995 298.7144 -183735.3716 -149431.9880 298.3689 5.1351 39.0738 558040.2712 -14.3034 -14.3459 PRESSURE: 4435000 -28.3363 10.6711 71.3407 10.6712 -288.571 -58.1692 71.3417 -58.171 83.567 GPRESSURE: 4435000 7.20323 -61.0092 39.5311 81.0187 -238.469 -30.2971 100.749 -119.457 97.4829 PRESSAVG: 4435000 66.772 5.82206 -24.3983 5.82207 -27.2469 -11.9449 -24.3983 -11.9449 -12.6562 GPRESSAVG: 4435000 67.4585 5.12764 -26.967 5.91889 -26.3 -12.3053 -23.1471 -12.2872 -14.1235 TIMING: 4435000 CPU: 13172.6, 0.00293823/step Wall: 13172.6, 0.00293823/step, 0.461138 hours remaining, 211.445312 MB of memory in use. ENERGY: 4435000 721.6030 2104.4895 1947.8228 122.2293 -206260.0886 17742.7568 0.0000 0.0000 34013.3697 -149607.8175 297.0472 -183621.1872 -149512.8423 297.7727 -77.7801 -44.5941 557149.1316 8.9563 9.0117 PRESSURE: 4435200 152.251 152.457 32.4797 152.456 -166.592 187.365 32.4791 187.365 -21.4588 GPRESSURE: 4435200 180.792 106.158 73.8784 244.17 -149.667 203.458 51.7343 131.092 36.2183 PRESSAVG: 4435200 2.21698 51.9678 -7.24052 51.9677 -53.9263 -24.0588 -7.24057 -24.0587 66.4312 GPRESSAVG: 4435200 0.551655 52.47 -4.27675 50.4131 -52.9131 -23.8041 -8.58355 -24.315 67.2049 TIMING: 4435200 CPU: 13173.2, 0.00293485/step Wall: 13173.2, 0.00293485/step, 0.460445 hours remaining, 211.445312 MB of memory in use. ENERGY: 4435200 766.4418 2110.5868 1939.0897 107.4737 -206256.6737 17800.8591 0.0000 0.0000 33918.4780 -149613.7446 296.2185 -183532.2226 -149516.5462 297.6090 -11.9330 22.4478 556168.2193 4.9073 4.9478 PRESSURE: 4435400 152.287 -16.2326 34.8154 -16.2318 -48.8536 108.486 34.8157 108.486 209.943 GPRESSURE: 4435400 237.879 -68.0695 96.1082 -30.9814 -95.0459 40.1715 -41.6568 71.0023 266.44 PRESSAVG: 4435400 33.2352 6.13278 32.0782 6.13282 -64.2125 -30.6035 32.0783 -30.6035 11.3023 GPRESSAVG: 4435400 34.6615 6.01622 30.9909 7.04952 -65.4406 -30.8322 32.6521 -29.7386 10.5266 TIMING: 4435400 CPU: 13173.8, 0.0029394/step Wall: 13173.8, 0.0029394/step, 0.460996 hours remaining, 211.445312 MB of memory in use. ENERGY: 4435400 692.9131 2059.7719 1924.2603 110.6816 -206460.7270 17980.5272 0.0000 0.0000 34173.8805 -149518.6924 298.4490 -183692.5729 -149422.9496 297.9660 104.4587 136.4244 557522.8656 -6.5583 -6.7508 PRESSURE: 4435600 -41.8509 -75.9715 -25.3457 -75.9716 142.147 125.301 -25.3445 125.302 321.421 GPRESSURE: 4435600 -9.64789 -29.1555 -41.6718 -108.467 155.016 68.5691 -48.1578 124.272 374.595 PRESSAVG: 4435600 19.4392 22.527 30.5695 22.527 -8.09343 -9.4553 30.5694 -9.45526 -33.5579 GPRESSAVG: 4435600 18.0312 23.3026 31.1067 20.6585 -8.20116 -8.57127 31.6378 -10.1573 -32.8927 TIMING: 4435600 CPU: 13174.4, 0.00294575/step Wall: 13174.4, 0.00294575/step, 0.461829 hours remaining, 211.445312 MB of memory in use. ENERGY: 4435600 743.8522 2098.7181 1945.3890 107.1925 -206424.4214 18008.0378 0.0000 0.0000 34059.7402 -149461.4915 297.4522 -183521.2317 -149369.5666 298.1094 140.5723 173.3212 556939.4313 -7.4040 -7.6875 PRESSURE: 4435800 203.442 -56.487 -35.4105 -56.4891 65.6454 73.6461 -35.4107 73.6461 175.326 GPRESSURE: 4435800 216.713 -15.9155 -45.8863 -18.9661 127.352 44.8647 -54.6338 136.728 221.833 PRESSAVG: 4435800 -15.0056 53.8189 79.8369 53.8189 -53.5271 -91.3877 79.8369 -91.3876 40.8198 GPRESSAVG: 4435800 -15.8754 52.8817 80.8995 55.341 -53.2388 -92.1426 78.5205 -90.672 41.1384 TIMING: 4435800 CPU: 13175, 0.00296472/step Wall: 13175, 0.00296472/step, 0.464638 hours remaining, 211.445312 MB of memory in use. ENERGY: 4435800 726.5103 2127.4114 1907.6617 111.2363 -206715.6232 18128.9129 0.0000 0.0000 34336.6781 -149377.2125 299.8708 -183713.8906 -149280.8067 298.5490 148.1378 188.6327 556560.8994 -9.2376 -9.3253 PRESSURE: 4436000 -154.87 32.3549 -53.2606 32.3549 -234.363 -87.4545 -53.261 -87.4545 -38.4552 GPRESSURE: 4436000 -180.573 -2.87607 -48.7665 -43.6521 -163.555 -55.4033 5.39079 -218.267 9.21746 PRESSAVG: 4436000 35.8837 93.5184 47.3155 93.5185 -35.0238 31.4678 47.3155 31.4677 10.1522 GPRESSAVG: 4436000 37.5482 94.9906 47.1081 92.8226 -36.2827 30.512 47.4734 31.0102 9.33998 TIMING: 4436000 CPU: 13175.6, 0.00294341/step Wall: 13175.6, 0.00294341/step, 0.461135 hours remaining, 211.445312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4436000 737.7579 2028.8480 1967.8229 116.4785 -206437.0215 17695.9207 0.0000 0.0000 34415.8303 -149474.3632 300.5620 -183890.1936 -149377.1226 298.9724 -142.5627 -111.6369 555257.0643 3.6707 3.5351 PRESSURE: 4436200 29.751 89.1033 30.9045 89.1028 -123.119 91.1739 30.9044 91.1747 143.921 GPRESSURE: 4436200 102.316 150.936 12.3618 74.4586 -92.7485 119.655 132.437 97.5854 142.333 PRESSAVG: 4436200 53.6809 17.9073 19.0206 17.9074 -57.262 1.2477 19.0206 1.24773 10.9542 GPRESSAVG: 4436200 52.5094 17.7768 17.6538 17.2356 -55.9511 1.13799 17.4913 2.36771 10.8084 TIMING: 4436200 CPU: 13176.2, 0.00293792/step Wall: 13176.2, 0.00293792/step, 0.460111 hours remaining, 211.445312 MB of memory in use. ENERGY: 4436200 737.1511 2043.0818 1926.5949 102.9581 -205907.4010 17684.1924 0.0000 0.0000 34199.2452 -149214.1776 298.6705 -183413.4228 -149114.3536 299.4688 16.8509 50.6333 556551.4795 2.4577 2.4556 LDB: ============= START OF LOAD BALANCING ============== 13179.7 LDB: ============== END OF LOAD BALANCING =============== 13179.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13179.7 LDB: ============= START OF LOAD BALANCING ============== 13180 LDB: Largest compute 4809 load 0.021667 is 18.3% of average load 0.118278 LDB: Average compute 0.001738 is 1.5% of average load 0.118278 LDB: TIME 13180 LOAD: AVG 0.118278 MAX 0.198339 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.953 MB LDB: TIME 13180 LOAD: AVG 0.118278 MAX 0.198339 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.957 MB LDB: TIME 13180 LOAD: AVG 0.118278 MAX 0.198339 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.957 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13180 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13180 PRESSURE: 4436400 178.807 156.076 -146.049 156.074 -10.6855 -79.4011 -146.049 -79.4011 -44.7769 GPRESSURE: 4436400 219.462 119.774 -182.941 137.09 8.06963 -67.4191 -98.435 -43.4202 2.26492 PRESSAVG: 4436400 45.8404 -1.7892 -22.2843 -1.78918 10.4114 42.6883 -22.2844 42.6881 -22.8562 GPRESSAVG: 4436400 44.8025 -4.49437 -20.7732 0.413488 9.80667 43.1982 -21.9088 41.8624 -21.1957 TIMING: 4436400 CPU: 13176.8, 0.00300794/step Wall: 13176.8, 0.00300794/step, 0.470909 hours remaining, 208.410156 MB of memory in use. ENERGY: 4436400 740.0902 2063.4148 1909.1923 112.7853 -206368.4019 17806.3807 0.0000 0.0000 34455.6354 -149280.9032 300.9096 -183736.5386 -149185.0304 299.5722 41.1150 76.5988 556260.3669 11.1319 11.1378 PRESSURE: 4436600 -18.6046 72.3211 -135.802 72.3197 -85.8846 -24.5993 -135.802 -24.6005 -239.73 GPRESSURE: 4436600 34.7227 139.441 -106.711 119.648 -43.9324 55.938 -127.276 7.24853 -223.825 PRESSAVG: 4436600 14.371 8.357 -53.4124 8.357 47.2046 49.5223 -53.4124 49.5223 -23.9472 GPRESSAVG: 4436600 15.94 11.4133 -54.3452 8.54689 46.7082 48.9182 -51.7209 50.5254 -25.306 TIMING: 4436600 CPU: 13177.4, 0.00293134/step Wall: 13177.4, 0.00293134/step, 0.458754 hours remaining, 208.410156 MB of memory in use. ENERGY: 4436600 769.0725 2058.0850 1935.4469 120.9755 -205805.0722 17629.1690 0.0000 0.0000 34032.3746 -149259.9487 297.2132 -183292.3233 -149163.5369 299.3350 -114.7398 -77.6782 558183.0586 12.5428 12.4474 PRESSURE: 4436800 107.621 -64.3479 -76.3235 -64.3468 129.282 42.1602 -76.3227 42.1578 -222.803 GPRESSURE: 4436800 133.895 15.3412 -75.9041 -280.33 120.067 43.9682 -104.089 28.6555 -143.042 PRESSAVG: 4436800 21.8462 13.0006 4.34037 13.0006 -29.2492 -6.52017 4.34027 -6.52017 24.2984 GPRESSAVG: 4436800 21.4179 10.618 4.36591 10.8562 -29.6196 -3.79742 2.8589 -7.61097 24.5676 TIMING: 4436800 CPU: 13177.9, 0.00291158/step Wall: 13177.9, 0.00291158/step, 0.4555 hours remaining, 208.410156 MB of memory in use. ENERGY: 4436800 753.0675 2108.3606 1926.1291 116.5261 -206494.4083 17932.7490 0.0000 0.0000 34350.6491 -149306.9268 299.9928 -183657.5759 -149205.0332 299.2379 4.6999 36.9730 557423.9902 5.6318 5.4553 PRESSURE: 4437000 -47.4815 -123.438 -86.7367 -123.437 -605.041 76.7906 -86.7381 76.7918 -287.292 GPRESSURE: 4437000 -45.2558 -47.1393 -49.7045 -116.117 -562.551 55.1174 -43.9207 29.2447 -233.148 PRESSAVG: 4437000 -6.81361 -29.0765 -77.9128 -29.0766 6.12432 10.4309 -77.9128 10.4309 -12.596 GPRESSAVG: 4437000 -8.33935 -26.9384 -76.103 -26.7861 6.95235 9.0423 -78.4798 11.1567 -11.8288 TIMING: 4437000 CPU: 13178.5, 0.00293722/step Wall: 13178.5, 0.00293722/step, 0.459348 hours remaining, 208.410156 MB of memory in use. ENERGY: 4437000 752.3207 2100.1185 1953.7023 107.9098 -206035.7947 17520.9394 0.0000 0.0000 34188.4862 -149412.3179 298.5766 -183600.8040 -149316.4917 299.8931 -313.2713 -280.3182 557979.2907 -4.4284 -4.4053 PRESSURE: 4437200 23.3221 -182.459 14.9342 -182.46 -200.267 -109.322 14.9335 -109.32 -16.1655 GPRESSURE: 4437200 39.3284 -168.218 23.2679 -204.037 -122.409 -171.026 1.02146 -121.178 11.0111 PRESSAVG: 4437200 32.3131 -28.9728 -40.0488 -28.9727 -5.77533 -6.17203 -40.0487 -6.17205 0.231784 GPRESSAVG: 4437200 32.2185 -28.3854 -41.4428 -31.3893 -5.03697 -6.85999 -36.4493 -7.49309 -0.713687 TIMING: 4437200 CPU: 13179.1, 0.00294501/step Wall: 13179.1, 0.002945/step, 0.460402 hours remaining, 208.410156 MB of memory in use. ENERGY: 4437200 724.4061 2067.0092 1950.4976 127.9914 -206143.2676 17771.3911 0.0000 0.0000 34086.6527 -149415.3195 297.6872 -183501.9722 -149313.6868 298.7693 -64.3703 -24.0232 557436.8191 8.9232 8.8226 PRESSURE: 4437400 -45.1445 58.5413 -41.1155 58.5409 -106.087 -96.8902 -41.1156 -96.8902 -191.44 GPRESSURE: 4437400 -61.3528 99.8281 -108.391 79.1747 -84.0759 -58.0438 -53.7921 -55.8041 -106.058 PRESSAVG: 4437400 13.9629 -19.1916 -32.6259 -19.1915 -8.9742 -33.4481 -32.6259 -33.448 -4.5985 GPRESSAVG: 4437400 15.3513 -19.8576 -33.0234 -17.4317 -9.24375 -31.8928 -36.9522 -33.5842 -5.21686 TIMING: 4437400 CPU: 13179.7, 0.00294577/step Wall: 13179.7, 0.00294577/step, 0.460358 hours remaining, 208.410156 MB of memory in use. ENERGY: 4437400 747.4805 2041.2016 1912.5788 113.3826 -206011.4464 17594.8985 0.0000 0.0000 34041.8874 -149560.0170 297.2963 -183601.9044 -149468.6171 298.6016 -114.2240 -83.8289 556293.2714 0.1301 0.2969 PRESSURE: 4437600 114.517 -75.617 -64.3429 -75.6179 26.7276 -4.01729 -64.3425 -4.01879 25.3727 GPRESSURE: 4437600 118.818 -19.3986 -130.18 -121.751 87.296 4.13789 2.19434 -48.7602 66.361 PRESSAVG: 4437600 -24.913 -5.59938 2.98847 -5.59931 27.3281 -28.4397 2.98847 -28.4397 23.8987 GPRESSAVG: 4437600 -25.7659 -6.69258 2.51511 -5.02172 27.4343 -30.0592 4.57155 -28.4832 24.2459 TIMING: 4437600 CPU: 13180.3, 0.00297292/step Wall: 13180.3, 0.00297292/step, 0.464436 hours remaining, 208.410156 MB of memory in use. ENERGY: 4437600 717.1984 2078.7648 1932.5104 117.0829 -206414.7286 17741.1981 0.0000 0.0000 34215.3804 -149612.5936 298.8114 -183827.9740 -149516.1625 298.5360 55.5390 90.8249 555999.6387 8.7713 8.6381 PRESSURE: 4437800 -122.624 -105.835 171.398 -105.835 -158.149 109.51 171.397 109.51 -363.152 GPRESSURE: 4437800 -59.3564 -97.175 60.0686 -124.798 -159.062 131.597 192.314 72.5792 -323.005 PRESSAVG: 4437800 78.0018 -31.1527 2.39191 -31.1527 -65.5574 -7.36074 2.39189 -7.36061 -18.9761 GPRESSAVG: 4437800 77.9184 -31.0725 2.6053 -30.0011 -65.1964 -6.01484 1.25614 -6.96779 -19.5706 TIMING: 4437800 CPU: 13180.9, 0.00296783/step Wall: 13180.9, 0.00296783/step, 0.463477 hours remaining, 208.410156 MB of memory in use. ENERGY: 4437800 749.3338 2137.9204 1956.4346 94.6589 -206401.0748 17546.7150 0.0000 0.0000 34289.4474 -149626.5647 299.4583 -183916.0122 -149537.9704 298.2907 -214.6417 -180.4747 557355.5286 -2.1772 -2.2829 PRESSURE: 4438000 165.099 59.2583 17.4445 59.2583 354.373 6.60729 17.4437 6.60648 141.405 GPRESSURE: 4438000 173.279 80.0886 -33.7849 74.0524 408.549 -92.5691 -24.7757 12.0452 178.801 PRESSAVG: 4438000 44.6711 6.19832 -17.3887 6.19833 -32.32 49.5728 -17.3887 49.5728 21.4732 GPRESSAVG: 4438000 44.4976 6.17944 -18.0212 4.29315 -32.7774 49.7958 -16.0389 49.9991 22.2598 TIMING: 4438000 CPU: 13181.5, 0.0029551/step Wall: 13181.5, 0.0029551/step, 0.461324 hours remaining, 208.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4438000 723.5059 2076.6038 1949.4895 111.9112 -206735.6606 18061.8563 0.0000 0.0000 34354.8900 -149457.4039 300.0298 -183812.2939 -149364.6204 298.6861 220.2924 253.5430 557090.0504 11.2748 11.3267 PRESSURE: 4438200 -242.112 -188.556 33.0852 -188.555 -175.741 -24.968 33.0853 -24.9687 182.802 GPRESSURE: 4438200 -202.87 -142.447 -5.74864 -281.998 -131.046 -85.8646 7.88523 16.6422 200.998 PRESSAVG: 4438200 -24.6012 -34.7507 12.4248 -34.7507 -9.94886 -48.7584 12.4247 -48.7584 17.8994 GPRESSAVG: 4438200 -25.8796 -34.6381 16.1205 -34.9371 -9.76505 -49.4306 7.62731 -48.8326 18.9269 TIMING: 4438200 CPU: 13182.1, 0.00294729/step Wall: 13182.1, 0.00294729/step, 0.459941 hours remaining, 208.410156 MB of memory in use. ENERGY: 4438200 769.6853 2113.4081 1935.6599 113.2950 -206430.2404 17752.4122 0.0000 0.0000 34293.6427 -149452.1372 299.4949 -183745.7799 -149360.2003 298.3939 -78.3502 -44.3061 557447.8741 -5.5502 -5.5726 PRESSURE: 4438400 -169.992 71.8877 -282.743 71.8874 -11.067 -33.3619 -282.74 -33.3615 25.6601 GPRESSURE: 4438400 -128.764 85.4983 -291.024 27.1353 0.736903 10.9594 -251.11 -77.1988 75.7228 PRESSAVG: 4438400 -21.3672 13.8928 -40.4269 13.8927 -20.2153 19.8276 -40.4269 19.8277 59.6572 GPRESSAVG: 4438400 -19.3243 12.5382 -40.1357 14.7101 -20.8781 19.6029 -37.7167 19.4804 58.6373 TIMING: 4438400 CPU: 13182.7, 0.00293276/step Wall: 13182.7, 0.00293276/step, 0.457511 hours remaining, 208.410156 MB of memory in use. ENERGY: 4438400 753.1516 2052.0528 1950.0193 109.5872 -206329.4971 17745.8767 0.0000 0.0000 34178.9845 -149539.8251 298.4936 -183718.8096 -149441.3636 298.3971 -51.7996 -17.4348 556379.1580 6.0249 6.1450 PRESSURE: 4438600 -35.6336 -188.298 17.975 -188.298 -28.2906 40.9254 17.9757 40.9251 -47.8002 GPRESSURE: 4438600 2.56949 -154.052 46.3007 -193.657 45.2152 63.9065 -70.3111 80.8005 -65.9296 PRESSAVG: 4438600 -11.8521 5.3876 -34.3343 5.38761 -40.0572 17.4817 -34.3341 17.4817 30.2372 GPRESSAVG: 4438600 -12.4651 4.02884 -35.4026 5.24109 -39.2266 19.5824 -34.9947 16.1531 29.7694 TIMING: 4438600 CPU: 13183.2, 0.002972/step Wall: 13183.2, 0.002972/step, 0.463467 hours remaining, 208.410156 MB of memory in use. ENERGY: 4438600 759.3516 2068.1597 1946.8917 111.7356 -206124.1866 17640.3693 0.0000 0.0000 34099.3493 -149498.3294 297.7981 -183597.6787 -149395.9075 297.5239 -37.2415 -6.0483 557160.3493 -7.2240 -7.3074 PRESSURE: 4438800 134.774 76.3911 57.2359 76.3927 144.97 156.975 57.236 156.974 143.718 GPRESSURE: 4438800 184.568 67.7074 88.6638 132.524 160.047 97.7796 80.1977 218.969 171.472 PRESSAVG: 4438800 13.2568 -37.2909 -26.5998 -37.291 -26.9429 -4.30793 -26.5998 -4.30782 32.6249 GPRESSAVG: 4438800 13.7292 -36.8373 -27.4276 -35.8552 -27.3265 -3.98915 -24.8642 -3.90303 31.6934 TIMING: 4438800 CPU: 13183.8, 0.00295012/step Wall: 13183.8, 0.00295012/step, 0.459891 hours remaining, 208.410156 MB of memory in use. ENERGY: 4438800 766.7828 2119.2458 1942.1700 114.8004 -206654.7336 18154.5460 0.0000 0.0000 34112.2918 -149444.8967 297.9111 -183557.1885 -149350.5587 298.2616 141.1541 172.0292 556398.1732 6.3130 6.0320 PRESSURE: 4439000 102.434 15.7063 -222.486 15.7076 -365.881 -136.089 -222.485 -136.089 253.191 GPRESSURE: 4439000 132.555 -11.453 -173.603 9.52309 -293.755 -119.774 -166.997 -246.75 244.908 PRESSAVG: 4439000 -6.04882 4.6037 5.51552 4.60374 -19.3133 20.6209 5.5156 20.6208 13.4101 GPRESSAVG: 4439000 -6.35465 6.36921 7.4983 2.20463 -19.2575 18.9421 4.59058 21.9997 13.5417 TIMING: 4439000 CPU: 13184.4, 0.0029288/step Wall: 13184.4, 0.0029288/step, 0.456404 hours remaining, 208.410156 MB of memory in use. ENERGY: 4439000 764.5717 2028.6291 1968.4996 116.1748 -206492.6517 17946.9276 0.0000 0.0000 34259.8585 -149407.9904 299.1999 -183667.8489 -149315.0980 298.7301 -3.4188 27.9027 557324.9484 -3.9840 -4.0235 PRESSURE: 4439200 -123.977 -202.314 198.867 -202.312 -250.666 -185.624 198.865 -185.624 266.873 GPRESSURE: 4439200 -93.7269 -144.337 106.208 -174.523 -229.503 -129.297 197.177 -157.139 307.083 PRESSAVG: 4439200 -51.1339 -47.7668 10.3032 -47.7668 -26.2497 -51.0806 10.3031 -51.0806 64.0588 GPRESSAVG: 4439200 -50.4918 -48.3472 4.93015 -47.7857 -27.8482 -50.0075 11.307 -52.0604 64.8588 TIMING: 4439200 CPU: 13185, 0.00293666/step Wall: 13185, 0.00293666/step, 0.457466 hours remaining, 208.410156 MB of memory in use. ENERGY: 4439200 739.2257 2058.4222 1964.2836 112.1171 -206458.2920 17838.2493 0.0000 0.0000 34220.9599 -149525.0342 298.8602 -183745.9941 -149426.0189 299.3264 -35.9231 -5.3824 558094.1417 -4.4416 -4.4937 PRESSURE: 4439400 -155.832 -77.4981 77.4266 -77.4967 -117.122 -63.7015 77.4265 -63.702 -103.422 GPRESSURE: 4439400 -185.927 -35.718 58.8356 -12.9129 -73.8831 -110.344 121.474 -2.5851 -17.3112 PRESSAVG: 4439400 -38.0782 10.1243 -41.2635 10.1243 20.2213 -38.8024 -41.2634 -38.8024 59.9819 GPRESSAVG: 4439400 -40.3205 9.5256 -36.9479 11.3578 21.0697 -40.7032 -42.4551 -37.2942 62.2269 TIMING: 4439400 CPU: 13185.6, 0.00292406/step Wall: 13185.6, 0.00292406/step, 0.455341 hours remaining, 208.410156 MB of memory in use. ENERGY: 4439400 755.0167 2123.0874 1937.5908 118.0983 -206482.0444 17819.1012 0.0000 0.0000 34218.5446 -149510.6054 298.8391 -183729.1499 -149416.9330 298.9018 -125.4587 -92.3738 558487.9667 14.0417 14.3254 PRESSURE: 4439600 168.643 -105.944 126.251 -105.944 -17.4151 -37.329 126.251 -37.3289 171.403 GPRESSURE: 4439600 232.686 -165.808 139.293 -46.8873 -16.1332 -38.7689 160.555 -24.626 199.666 PRESSAVG: 4439600 62.3173 -45.9624 -70.0395 -45.9624 -50.5718 19.7903 -70.0394 19.7905 19.8314 GPRESSAVG: 4439600 64.138 -45.221 -70.1174 -45.1919 -49.971 21.271 -69.2107 18.9782 17.005 TIMING: 4439600 CPU: 13186.2, 0.00293291/step Wall: 13186.2, 0.00293291/step, 0.456556 hours remaining, 208.410156 MB of memory in use. ENERGY: 4439600 737.3359 2124.4898 1938.0053 118.4218 -206549.2610 17979.7661 0.0000 0.0000 34174.6238 -149476.6182 298.4555 -183651.2420 -149382.2685 298.6591 107.5435 138.7398 556731.1089 10.5256 10.3907 PRESSURE: 4439800 159.276 -92.8038 -84.0028 -92.8042 67.5214 -187.67 -84.0031 -187.67 420.58 GPRESSURE: 4439800 161.352 -102.928 -32.44 -33.8429 105.435 -167.33 -74.202 -143.888 475.643 PRESSAVG: 4439800 25.5531 -8.83455 31.0406 -8.83456 -95.3294 -19.3049 31.0406 -19.3049 32.1236 GPRESSAVG: 4439800 24.1001 -9.96669 29.3799 -9.14793 -95.5946 -18.7685 31.2193 -20.7902 33.4275 TIMING: 4439800 CPU: 13186.8, 0.00292065/step Wall: 13186.8, 0.00292065/step, 0.454485 hours remaining, 208.410156 MB of memory in use. ENERGY: 4439800 712.1404 2104.0081 1933.6201 106.1664 -206607.3913 18052.6591 0.0000 0.0000 34025.8713 -149672.9258 297.1564 -183698.7971 -149579.3162 298.1843 215.7924 247.4767 556822.8952 -12.5509 -12.6890 PRESSURE: 4440000 336.332 -101.046 40.5256 -101.046 58.3647 -152.124 40.5259 -152.124 155.928 GPRESSURE: 4440000 358.026 -74.4157 -67.4662 -139.993 93.3546 -42.35 90.9015 -198.408 204.66 PRESSAVG: 4440000 41.3784 -94.6743 27.9804 -94.6743 18.8871 -12.839 27.9804 -12.8391 -8.66996 GPRESSAVG: 4440000 41.93 -93.0477 28.7971 -95.6576 18.7289 -11.9324 29.9701 -12.1731 -8.94153 TIMING: 4440000 CPU: 13187.4, 0.00291255/step Wall: 13187.4, 0.00291255/step, 0.453063 hours remaining, 208.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4440000 765.7589 2150.2290 1954.5555 106.2894 -206775.1376 18095.4739 0.0000 0.0000 34003.5817 -149699.2492 296.9617 -183702.8308 -149605.8747 297.6752 183.5417 218.6804 556587.7277 17.1985 17.2391 PRESSURE: 4440200 45.3708 -110.669 2.15039 -110.67 -167.244 -102.071 2.14968 -102.072 -162.492 GPRESSURE: 4440200 86.662 -144.596 44.6306 -41.5769 -188.048 -152.62 -51.8066 -135.894 -75.4876 PRESSAVG: 4440200 48.5654 -19.7491 37.8464 -19.7491 -39.8026 -3.88986 37.8465 -3.88982 -57.1619 GPRESSAVG: 4440200 47.7387 -21.2164 37.4679 -18.8154 -39.7518 -6.80951 37.7492 -4.65742 -56.0522 TIMING: 4440200 CPU: 13187.9, 0.00292306/step Wall: 13187.9, 0.00292306/step, 0.454536 hours remaining, 208.410156 MB of memory in use. ENERGY: 4440200 728.9616 2101.9784 1933.1617 104.3554 -206666.1805 17988.5468 0.0000 0.0000 34071.4750 -149737.7015 297.5547 -183809.1765 -149641.8683 297.8270 -94.7884 -58.9580 558937.6548 -16.1331 -16.0218 LDB: ============= START OF LOAD BALANCING ============== 13191.5 LDB: ============== END OF LOAD BALANCING =============== 13191.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13191.5 LDB: ============= START OF LOAD BALANCING ============== 13191.8 LDB: Largest compute 4772 load 0.020715 is 17.5% of average load 0.118196 LDB: Average compute 0.001733 is 1.5% of average load 0.118196 LDB: TIME 13191.8 LOAD: AVG 0.118196 MAX 0.196519 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.953 MB LDB: TIME 13191.8 LOAD: AVG 0.118196 MAX 0.196519 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.953 MB LDB: TIME 13191.8 LOAD: AVG 0.118196 MAX 0.196519 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.953 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13191.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13191.8 PRESSURE: 4440400 252.803 55.0235 34.0878 55.0229 -180.56 -22.8613 34.0871 -22.8608 -50.346 GPRESSURE: 4440400 247.412 79.5819 85.4 46.5945 -149.769 8.23362 12.2716 -32.6375 11.709 PRESSAVG: 4440400 48.0977 -6.11446 4.22449 -6.11435 -47.2663 -23.1261 4.22448 -23.126 -39.8541 GPRESSAVG: 4440400 49.6072 -5.86048 3.72806 -5.85214 -47.8207 -22.4378 3.48543 -20.7374 -41.0439 TIMING: 4440400 CPU: 13188.5, 0.00298922/step Wall: 13188.5, 0.00298922/step, 0.464657 hours remaining, 208.914062 MB of memory in use. ENERGY: 4440400 741.9947 2100.5633 1970.0545 112.0396 -206670.8866 18033.1333 0.0000 0.0000 34074.9237 -149638.1774 297.5848 -183713.1011 -149542.8138 298.3289 7.2991 36.4507 558210.5190 -13.0075 -13.0858 PRESSURE: 4440600 -27.9214 77.7767 71.3817 77.7764 -162.9 131.746 71.3824 131.746 -75.2226 GPRESSURE: 4440600 8.44225 93.8599 57.1611 76.705 -147.273 139.477 93.4535 152.38 -24.1097 PRESSAVG: 4440600 91.294 9.53356 12.2729 9.53348 -43.9593 25.7879 12.2729 25.7879 -61.8515 GPRESSAVG: 4440600 91.5001 9.34259 12.8283 10.9074 -43.5761 24.2233 14.9963 26.8582 -62.685 TIMING: 4440600 CPU: 13189.1, 0.00292604/step Wall: 13189.1, 0.00292604/step, 0.454675 hours remaining, 209.113281 MB of memory in use. ENERGY: 4440600 747.4496 2091.5112 1966.5522 117.6602 -206580.2705 17741.6845 0.0000 0.0000 34322.2315 -149593.1813 299.7446 -183915.4128 -149493.5578 297.9104 -88.6812 -54.3134 556891.0310 -4.8389 -4.9203 PRESSURE: 4440800 277.308 -7.78757 -115.649 -7.78737 39.9447 -31.6875 -115.649 -31.6868 89.0421 GPRESSURE: 4440800 332.955 -81.321 -173.589 37.2662 95.9996 -22.9253 -102.424 -24.76 72.8805 PRESSAVG: 4440800 7.80469 5.78077 54.0066 5.78073 33.7845 -25.9738 54.0065 -25.9738 -37.4917 GPRESSAVG: 4440800 7.14788 6.24637 55.6057 5.92375 34.1042 -26.0256 51.9141 -27.2002 -37.2185 TIMING: 4440800 CPU: 13189.7, 0.00291274/step Wall: 13189.7, 0.00291274/step, 0.452446 hours remaining, 209.113281 MB of memory in use. ENERGY: 4440800 747.9899 2049.5562 1956.8837 111.0615 -206972.0989 18162.4758 0.0000 0.0000 34400.0168 -149544.1151 300.4239 -183944.1319 -149442.3000 298.4917 135.4317 167.2784 557443.9731 1.3658 1.3445 PRESSURE: 4441000 -171.721 -0.610783 122.366 -0.610992 -184.12 -185.33 122.366 -185.331 -81.4717 GPRESSURE: 4441000 -170.431 63.9352 109.167 -58.4797 -119.866 -131.91 155.615 -192.542 -52.018 PRESSAVG: 4441000 16.1614 41.7116 -1.37599 41.7115 -0.235845 3.98303 -1.37602 3.98307 -40.1594 GPRESSAVG: 4441000 15.295 44.163 -0.321948 39.7812 -0.683664 6.45774 -1.96813 3.99348 -39.0777 TIMING: 4441000 CPU: 13190.3, 0.00293506/step Wall: 13190.3, 0.00293506/step, 0.45575 hours remaining, 209.113281 MB of memory in use. ENERGY: 4441000 753.3130 2123.6642 1962.6994 113.9983 -206104.0406 17626.6794 0.0000 0.0000 33905.0507 -149618.6355 296.1012 -183523.6862 -149523.6391 298.8025 -145.7708 -114.1049 557584.9267 -8.0780 -8.1555 PRESSURE: 4441200 -19.9791 200.54 -52.1631 200.541 155.15 53.4999 -52.1625 53.5002 56.1693 GPRESSURE: 4441200 48.4309 162.029 -147.088 159.125 131.627 22.399 -56.796 -9.7807 115.427 PRESSAVG: 4441200 -24.1923 -21.9131 -24.0133 -21.9132 -1.67773 23.2878 -24.0134 23.2878 6.63066 GPRESSAVG: 4441200 -22.5644 -23.8355 -25.8065 -21.9487 -2.98624 23.3785 -25.2095 21.2341 6.4249 TIMING: 4441200 CPU: 13190.9, 0.00296254/step Wall: 13190.9, 0.00296254/step, 0.459853 hours remaining, 209.113281 MB of memory in use. ENERGY: 4441200 786.1866 2101.8586 1945.0815 107.8726 -206505.7648 17940.5435 0.0000 0.0000 34068.2800 -149555.9421 297.5268 -183624.2222 -149460.1052 298.6164 63.7800 98.4949 556573.9001 -6.4131 -6.3753 PRESSURE: 4441400 136.723 -77.4797 42.7441 -77.4807 128.33 -199.13 42.7439 -199.129 406.572 GPRESSURE: 4441400 228.396 -130.087 25.6409 -51.6347 163.816 -176.587 41.3586 -129.316 381.638 PRESSAVG: 4441400 13.0018 -9.39527 3.05767 -9.39518 -42.2242 25.4536 3.0578 25.4536 -19.7427 GPRESSAVG: 4441400 11.9419 -9.2824 2.58418 -9.38054 -39.4494 24.2914 3.96015 27.5262 -21.5892 TIMING: 4441400 CPU: 13191.5, 0.00295684/step Wall: 13191.5, 0.00295684/step, 0.458804 hours remaining, 209.113281 MB of memory in use. ENERGY: 4441400 737.6497 2096.5675 1971.2740 116.8262 -207174.8233 18298.0612 0.0000 0.0000 34311.0898 -149643.3550 299.6473 -183954.4448 -149548.7956 298.2814 223.8750 257.9500 556382.4138 -16.3217 -16.3656 PRESSURE: 4441600 21.0008 1.64282 -41.1464 1.64281 63.0948 -14.5733 -41.1457 -14.5726 -170.706 GPRESSURE: 4441600 37.7434 -20.7809 -13.1924 -41.7578 102.945 3.59014 3.1828 -24.2642 -135.896 PRESSAVG: 4441600 14.7631 -8.35811 21.8857 -8.3581 -31.8883 -40.4819 21.8856 -40.482 24.838 GPRESSAVG: 4441600 15.5228 -7.24772 22.2047 -7.73059 -32.7546 -41.2314 22.5983 -39.1872 25.1271 TIMING: 4441600 CPU: 13192.1, 0.00295095/step Wall: 13192.1, 0.00295095/step, 0.457726 hours remaining, 209.113281 MB of memory in use. ENERGY: 4441600 736.1602 2087.8956 1966.8456 114.1436 -206401.9929 17758.5928 0.0000 0.0000 34247.7687 -149490.5864 299.0943 -183738.3551 -149392.3573 298.4736 -28.8700 1.5974 556580.6415 2.5709 2.6318 PRESSURE: 4441800 -331.395 -29.7804 -206.647 -29.7796 122.172 15.2677 -206.646 15.2668 -276.138 GPRESSURE: 4441800 -283.371 -84.808 -215.459 -12.0508 133.78 16.3395 -169.825 125.691 -250.805 PRESSAVG: 4441800 1.90541 -63.6411 -14.5641 -63.6411 20.4202 -18.6191 -14.5642 -18.6191 -8.06007 GPRESSAVG: 4441800 1.18427 -63.0081 -13.8315 -64.3654 20.1843 -16.3938 -15.6044 -19.5107 -6.45071 TIMING: 4441800 CPU: 13192.7, 0.00294953/step Wall: 13192.7, 0.00294953/step, 0.457341 hours remaining, 209.113281 MB of memory in use. ENERGY: 4441800 765.3742 2130.2468 1968.4902 118.5379 -206275.4158 17784.4060 0.0000 0.0000 34187.0864 -149321.2742 298.5643 -183508.3606 -149220.0175 298.9214 -161.7871 -133.4652 559572.7150 4.7552 4.9726 PRESSURE: 4442000 187.428 -100.322 -186.1 -100.323 83.1156 -47.791 -186.099 -47.7906 -38.7587 GPRESSURE: 4442000 301.303 -110.947 -169.752 -72.5738 57.9001 -34.0507 -232.205 -64.1581 -28.8231 PRESSAVG: 4442000 55.2571 -25.1476 -48.0357 -25.1476 7.50125 17.0024 -48.0356 17.0023 -95.0282 GPRESSAVG: 4442000 56.6284 -25.5951 -49.0901 -22.9192 7.23067 15.8107 -46.48 16.4366 -95.7969 TIMING: 4442000 CPU: 13193.2, 0.00295486/step Wall: 13193.2, 0.00295486/step, 0.458003 hours remaining, 209.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4442000 710.4032 2087.7317 1937.7799 109.8076 -206055.4238 17638.9907 0.0000 0.0000 34344.4333 -149226.2772 299.9385 -183570.7106 -149126.9735 298.6372 77.2618 110.1265 557210.4057 -10.7566 -10.6460 PRESSURE: 4442200 -339.08 -88.8417 63.366 -88.8412 -181.718 -74.4994 63.3663 -74.5013 31.223 GPRESSURE: 4442200 -305.295 -132.984 22.584 -21.4592 -120.841 -70.8558 122.872 -11.8209 46.1439 PRESSAVG: 4442200 82.6588 -50.8349 -71.5709 -50.8348 -14.9797 7.93793 -71.5708 7.93787 -41.4622 GPRESSAVG: 4442200 81.7526 -50.114 -70.7745 -53.6949 -13.6642 7.77395 -74.5284 9.57538 -41.7521 TIMING: 4442200 CPU: 13193.8, 0.00294558/step Wall: 13193.8, 0.00294558/step, 0.456401 hours remaining, 209.113281 MB of memory in use. ENERGY: 4442200 737.5167 2100.7733 1941.2200 127.2168 -206087.4990 17674.6071 0.0000 0.0000 34285.3680 -149220.7971 299.4226 -183506.1651 -149121.9610 299.2468 -163.1919 -126.6641 557300.5290 8.7390 8.7788 PRESSURE: 4442400 -157.333 -40.2598 -146.058 -40.2589 -88.6937 -44.4835 -146.059 -44.4831 -67.6921 GPRESSURE: 4442400 -132.754 -27.2242 -58.8446 -55.1251 -21.6965 -54.0447 -246.134 -61.7925 -68.1259 PRESSAVG: 4442400 14.9451 18.967 -29.9503 18.9669 -14.6797 28.7116 -29.9502 28.7116 16.1847 GPRESSAVG: 4442400 14.7981 17.7358 -31.2253 18.5294 -16.1424 30.6961 -28.499 27.2996 17.9165 TIMING: 4442400 CPU: 13194.4, 0.0029377/step Wall: 13194.4, 0.0029377/step, 0.455017 hours remaining, 209.113281 MB of memory in use. ENERGY: 4442400 757.5068 2151.3400 1926.1948 108.4874 -206435.0486 17879.3336 0.0000 0.0000 34086.9741 -149525.2119 297.6900 -183612.1859 -149427.4628 299.2729 -104.5730 -74.1921 557743.3394 5.4833 5.5241 PRESSURE: 4442600 -203.388 49.7197 -34.6527 49.7189 133.129 -12.5853 -34.6533 -12.5836 -152.75 GPRESSURE: 4442600 -173.101 -11.1328 -112.567 134.318 134.122 -81.8961 -2.07727 6.63277 -97.2481 PRESSAVG: 4442600 27.0113 59.4103 -54.2429 59.4103 64.5414 30.3851 -54.2428 30.3851 -43.6538 GPRESSAVG: 4442600 27.9729 59.3747 -54.1306 60.9447 64.5367 29.655 -55.1613 31.9785 -44.2292 TIMING: 4442600 CPU: 13195, 0.00295042/step Wall: 13195, 0.00295042/step, 0.456824 hours remaining, 209.113281 MB of memory in use. ENERGY: 4442600 746.4186 2092.9292 1944.5234 126.5748 -206065.2240 17654.0308 0.0000 0.0000 34057.1423 -149443.6049 297.4295 -183500.7472 -149349.2006 298.4950 -74.3361 -45.4090 557095.6957 15.9663 16.0934 PRESSURE: 4442800 1.17775 10.5881 158.674 10.5878 70.9171 16.9001 158.675 16.9021 23.7782 GPRESSURE: 4442800 -6.05945 96.7378 144.129 39.2917 89.1751 128.286 148.537 -73.6387 104.471 PRESSAVG: 4442800 -51.3507 26.0922 -26.0572 26.0922 39.1723 23.9821 -26.0573 23.9821 -1.00833 GPRESSAVG: 4442800 -51.0539 26.4766 -25.8844 26.081 39.3723 24.9623 -24.9507 22.6627 -1.8841 TIMING: 4442800 CPU: 13195.6, 0.00293412/step Wall: 13195.6, 0.00293412/step, 0.454136 hours remaining, 209.113281 MB of memory in use. ENERGY: 4442800 784.4891 2151.6117 1943.8934 102.4136 -206647.7353 18023.4208 0.0000 0.0000 34072.2814 -149569.6254 297.5617 -183641.9068 -149475.4116 298.4031 31.9577 62.5287 556586.0790 -4.3956 -4.5219 PRESSURE: 4443000 -27.1485 -35.4941 -43.2481 -35.4938 -224.792 -52.4611 -43.2479 -52.4614 -138.897 GPRESSURE: 4443000 26.4401 -114.869 39.3514 58.8926 -215.364 75.2973 4.46906 -145.83 -100.099 PRESSAVG: 4443000 28.3055 30.6504 37.8785 30.6504 32.5598 -9.07917 37.8786 -9.07929 -15.9265 GPRESSAVG: 4443000 28.1579 29.3177 37.5452 31.8726 31.0653 -7.88193 36.6004 -8.99514 -14.3889 TIMING: 4443000 CPU: 13196.2, 0.00292451/step Wall: 13196.2, 0.00292451/step, 0.452486 hours remaining, 209.113281 MB of memory in use. ENERGY: 4443000 754.9654 2141.2856 1940.3304 113.9188 -206524.7170 17716.8205 0.0000 0.0000 34223.8162 -149633.5801 298.8851 -183857.3963 -149538.5914 298.3192 -130.2792 -96.3409 557922.0932 14.9796 14.9448 PRESSURE: 4443200 -156.822 -120.238 109.767 -120.237 -42.184 -16.5013 109.768 -16.5 -257.169 GPRESSURE: 4443200 -152.266 -70.4137 77.7908 -99.5905 3.16562 10.7961 158.83 43.7365 -215.531 PRESSAVG: 4443200 -14.6167 0.937724 70.5027 0.93769 -6.46711 30.2188 70.5027 30.2189 34.1023 GPRESSAVG: 4443200 -14.45 2.51145 70.4715 -1.25084 -4.20748 28.2637 71.6022 31.3903 31.8255 TIMING: 4443200 CPU: 13196.8, 0.00291714/step Wall: 13196.8, 0.00291714/step, 0.451184 hours remaining, 209.113281 MB of memory in use. ENERGY: 4443200 766.3229 2114.1215 1928.8728 113.4565 -206538.4803 17742.9661 0.0000 0.0000 34238.9428 -149633.7975 299.0172 -183872.7404 -149543.0419 298.8521 -152.0583 -121.5436 558437.7085 4.3395 4.3894 PRESSURE: 4443400 8.26819 -42.9375 72.325 -42.9379 -109.041 41.8882 72.3245 41.8867 69.2423 GPRESSURE: 4443400 50.0941 86.0607 100.826 -132.977 -32.9274 73.6886 75.5819 106.162 58.3678 PRESSAVG: 4443400 63.5361 17.9796 43.1217 17.9796 -44.5696 9.90983 43.1216 9.90988 -13.7582 GPRESSAVG: 4443400 63.062 15.6641 42.6199 17.138 -45.2355 9.15193 43.8773 8.75457 -12.6266 TIMING: 4443400 CPU: 13197.3, 0.00291199/step Wall: 13197.3, 0.00291199/step, 0.450226 hours remaining, 209.113281 MB of memory in use. ENERGY: 4443400 740.7785 2094.2214 1919.4987 121.4820 -206463.0946 17806.1449 0.0000 0.0000 34160.7754 -149620.1937 298.3345 -183780.9692 -149532.0472 298.2975 -10.5100 25.1782 558093.2905 1.7361 1.7333 PRESSURE: 4443600 -247.944 -65.7765 101.853 -65.7761 -54.086 -32.9619 101.854 -32.9609 -105.866 GPRESSURE: 4443600 -172.292 -105.217 54.613 -48.2761 -6.3879 -57.3886 13.2405 -38.0851 -143.106 PRESSAVG: 4443600 82.0421 -57.1355 24.6236 -57.1354 -12.0488 30.0624 24.6235 30.0625 -72.0446 GPRESSAVG: 4443600 81.1834 -55.7587 23.9948 -57.9083 -11.613 30.1723 23.4632 29.4094 -71.1742 TIMING: 4443600 CPU: 13197.9, 0.00292377/step Wall: 13197.9, 0.00292377/step, 0.451885 hours remaining, 209.113281 MB of memory in use. ENERGY: 4443600 737.0581 2021.9788 1942.1730 113.5060 -206205.3215 17757.7296 0.0000 0.0000 34002.3718 -149630.5041 296.9512 -183632.8760 -149536.0615 297.8095 -135.9653 -107.2620 558349.7836 -0.6838 -0.5346 PRESSURE: 4443800 -141.586 -24.0845 43.1036 -24.0829 19.9054 -47.6707 43.1049 -47.6716 -113.986 GPRESSURE: 4443800 -125.416 -9.33427 67.0593 5.70615 35.9482 -68.2781 94.2179 -7.55105 -55.4097 PRESSAVG: 4443800 3.71635 27.6535 -24.4463 27.6535 -35.6186 15.1041 -24.4462 15.1041 19.988 GPRESSAVG: 4443800 5.3523 25.4464 -22.9072 28.6688 -36.5574 12.78 -23.7339 17.0825 18.8368 TIMING: 4443800 CPU: 13198.5, 0.00293586/step Wall: 13198.5, 0.00293586/step, 0.453591 hours remaining, 209.113281 MB of memory in use. ENERGY: 4443800 726.2981 2093.0626 1957.5469 117.7786 -206189.9836 17802.7625 0.0000 0.0000 34143.8601 -149348.6747 298.1868 -183492.5348 -149256.0514 297.5862 -78.5554 -48.2923 559892.2306 -3.9714 -4.1228 PRESSURE: 4444000 -163.517 166.787 78.4862 166.786 -163.541 -12.7601 78.4868 -12.762 -218.331 GPRESSURE: 4444000 -100.887 136.433 25.076 246.309 -163.215 -19.7156 77.0671 -80.8174 -189.427 PRESSAVG: 4444000 -2.3742 57.7996 -7.33884 57.7995 -1.4156 45.5818 -7.33885 45.5818 24.1206 GPRESSAVG: 4444000 -4.15526 60.0585 -7.42862 57.87 -1.44728 49.5061 -7.7757 45.0992 26.0294 TIMING: 4444000 CPU: 13199.1, 0.00291643/step Wall: 13199.1, 0.00291643/step, 0.450427 hours remaining, 209.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4444000 734.2916 2084.2233 1975.9625 115.0562 -206249.3852 17658.9108 0.0000 0.0000 34283.7278 -149397.2131 299.4083 -183680.9409 -149296.5074 298.9442 -181.7964 -151.1763 558680.7981 6.7769 6.8089 PRESSURE: 4444200 -95.5506 159.698 -165.905 159.698 -229.13 -51.4666 -165.905 -51.4663 166.014 GPRESSURE: 4444200 -30.0033 88.7229 -77.1811 175.238 -201.401 -23.0301 -301.654 -82.3301 183.266 PRESSAVG: 4444200 -20.6949 10.4716 -17.4561 10.4717 -15.801 -36.7755 -17.4562 -36.7754 8.47512 GPRESSAVG: 4444200 -20.6233 9.45987 -16.6364 9.7506 -13.4597 -38.797 -17.6341 -36.4269 7.06311 TIMING: 4444200 CPU: 13199.7, 0.00293425/step Wall: 13199.7, 0.00293425/step, 0.453015 hours remaining, 209.113281 MB of memory in use. ENERGY: 4444200 739.1575 2045.7048 1921.2004 108.0613 -206366.2773 17853.9131 0.0000 0.0000 34094.1457 -149604.0945 297.7527 -183698.2401 -149509.6414 298.1482 -52.8890 -16.0459 558052.5242 -9.3403 -9.0066 LDB: ============= START OF LOAD BALANCING ============== 13203.2 LDB: ============== END OF LOAD BALANCING =============== 13203.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13203.2 LDB: ============= START OF LOAD BALANCING ============== 13203.5 LDB: Largest compute 4809 load 0.021277 is 18.0% of average load 0.118242 LDB: Average compute 0.001736 is 1.5% of average load 0.118242 LDB: TIME 13203.5 LOAD: AVG 0.118242 MAX 0.197006 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.77 MB LDB: TIME 13203.5 LOAD: AVG 0.118242 MAX 0.197006 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.969 MB LDB: TIME 13203.5 LOAD: AVG 0.118242 MAX 0.197006 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13203.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13203.5 PRESSURE: 4444400 159.831 131.427 -33.8062 131.427 188.35 -164.372 -33.8065 -164.372 78.2725 GPRESSURE: 4444400 209.095 133.984 43.5815 111.115 251.31 -137.102 1.91168 -195.518 58.9178 PRESSAVG: 4444400 -5.18548 33.629 30.7957 33.6289 -14.1798 -54.8872 30.7957 -54.8872 36.2538 GPRESSAVG: 4444400 -4.17377 34.8663 30.6264 33.3048 -15.0289 -53.9093 31.0884 -54.2323 36.0919 TIMING: 4444400 CPU: 13200.3, 0.00301541/step Wall: 13200.3, 0.00301541/step, 0.465378 hours remaining, 208.640625 MB of memory in use. ENERGY: 4444400 738.2377 2061.2685 1953.5746 109.3427 -206732.7757 18109.4063 0.0000 0.0000 34289.7962 -149471.1498 299.4613 -183760.9459 -149369.0255 298.1955 142.1509 173.1075 557273.0686 5.6295 5.6297 PRESSURE: 4444600 -115.674 23.4096 11.5267 23.4106 -81.3769 -102.165 11.5269 -102.165 -90.0562 GPRESSURE: 4444600 -89.7018 74.3462 -51.4748 -54.5258 -63.2842 -92.2965 58.9871 1.13601 -30.539 PRESSAVG: 4444600 -18.0273 21.1195 15.5464 21.1195 -13.3581 -16.9791 15.5463 -16.9791 -10.9052 GPRESSAVG: 4444600 -17.5977 18.5238 14.1914 22.0453 -13.5976 -17.9305 15.3961 -17.4262 -10.7765 TIMING: 4444600 CPU: 13200.9, 0.00294163/step Wall: 13200.9, 0.00294163/step, 0.453828 hours remaining, 208.839844 MB of memory in use. ENERGY: 4444600 706.7611 2082.4002 1917.7852 123.0097 -206000.7961 17685.8507 0.0000 0.0000 33915.8378 -149569.1513 296.1954 -183484.9891 -149469.4315 297.9573 -95.7023 -61.1750 558379.6409 -14.0969 -13.9906 PRESSURE: 4444800 2.95181 -49.2521 71.4838 -49.252 26.8693 -36.862 71.4831 -36.8604 186.018 GPRESSURE: 4444800 11.7772 -111.618 58.3765 -77.0819 62.3456 -62.67 35.4962 -115.344 232.672 PRESSAVG: 4444800 -20.7042 -22.6343 14.5413 -22.6343 -27.9785 -12.3716 14.5412 -12.3716 17.2033 GPRESSAVG: 4444800 -22.034 -22.9336 15.0273 -22.2523 -28.6343 -10.3667 14.5604 -13.5509 18.5959 TIMING: 4444800 CPU: 13201.5, 0.00293561/step Wall: 13201.5, 0.00293561/step, 0.452736 hours remaining, 208.839844 MB of memory in use. ENERGY: 4444800 708.5046 2016.0522 1935.5227 108.6053 -206737.0743 18181.8326 0.0000 0.0000 34201.8416 -149584.7153 298.6932 -183786.5569 -149495.3599 298.2062 71.9465 102.2649 559217.9988 -10.4931 -10.6908 PRESSURE: 4445000 -259.458 15.9292 136.857 15.9293 317.136 53.9694 136.856 53.9708 119.602 GPRESSURE: 4445000 -242.23 60.7682 151.388 -1.30792 374.295 5.8516 170.36 41.588 138.2 PRESSAVG: 4445000 -5.9242 6.58435 11.2691 6.58435 82.9917 -20.1093 11.2692 -20.1093 -24.8832 GPRESSAVG: 4445000 -5.67696 7.46174 11.7011 5.95985 84.4733 -20.3301 11.1986 -19.4428 -26.8548 TIMING: 4445000 CPU: 13202.1, 0.0029464/step Wall: 13202.1, 0.0029464/step, 0.454236 hours remaining, 208.839844 MB of memory in use. ENERGY: 4445000 719.0094 2001.6159 1937.6131 107.4653 -206338.4367 17958.8316 0.0000 0.0000 34135.9096 -149477.9918 298.1174 -183613.9014 -149377.1221 297.7964 59.0933 90.0881 557865.6706 17.3948 17.3138 PRESSURE: 4445200 -123.502 -62.335 0.0112546 -62.3343 -162.834 118.6 0.0109291 118.599 149.409 GPRESSURE: 4445200 -61.5984 -84.5095 10.3729 -37.5579 -108.249 171.488 12.1772 21.9596 134.491 PRESSAVG: 4445200 -66.9358 -12.0879 75.2528 -12.0878 38.3677 -25.6381 75.2528 -25.6382 4.51611 GPRESSAVG: 4445200 -65.7177 -11.0674 74.5937 -11.1792 37.0636 -26.9902 75.6863 -26.3505 4.84716 TIMING: 4445200 CPU: 13202.6, 0.00293688/step Wall: 13202.6, 0.00293688/step, 0.452606 hours remaining, 208.839844 MB of memory in use. ENERGY: 4445200 696.1180 2099.4829 1976.6889 112.9935 -206396.4742 17717.3216 0.0000 0.0000 34123.0141 -149670.8551 298.0048 -183793.8692 -149578.5398 298.2546 -45.6422 -11.7854 557073.9952 -8.0173 -7.9356 PRESSURE: 4445400 -93.2584 -201.726 -98.8677 -201.726 -260.771 -113.758 -98.8682 -113.758 -222.998 GPRESSURE: 4445400 -38.4466 -234.766 -159.482 -113.401 -269.63 -142.762 -104.777 -99.3203 -179.096 PRESSAVG: 4445400 7.26137 -68.5382 -5.46302 -68.5382 28.6225 -13.637 -5.46312 -13.6371 -23.032 GPRESSAVG: 4445400 6.3968 -67.6252 -4.4913 -70.945 28.7666 -13.7633 -6.14999 -13.4923 -22.47 TIMING: 4445400 CPU: 13203.2, 0.00292172/step Wall: 13203.2, 0.00292172/step, 0.450107 hours remaining, 208.839844 MB of memory in use. ENERGY: 4445400 756.6080 2054.7175 1961.8114 108.1715 -206361.9552 17647.1886 0.0000 0.0000 34190.4820 -149642.9763 298.5940 -183833.4583 -149541.5424 298.6182 -192.3425 -162.3907 556765.0043 4.2840 4.2311 PRESSURE: 4445600 -275.453 140.713 -68.8405 140.712 98.1361 -54.8366 -68.8409 -54.837 -163.345 GPRESSURE: 4445600 -200.557 106.099 -85.1078 98.7094 88.6784 -62.6748 -7.1956 9.65679 -121.936 PRESSAVG: 4445600 21.7503 -38.1253 -22.9722 -38.1254 32.628 -12.7489 -22.9723 -12.749 5.8339 GPRESSAVG: 4445600 21.3395 -38.6778 -22.5852 -36.5745 33.4331 -13.8564 -22.0725 -11.2765 5.625 TIMING: 4445600 CPU: 13203.8, 0.00293586/step Wall: 13203.8, 0.00293586/step, 0.452123 hours remaining, 208.839844 MB of memory in use. ENERGY: 4445600 751.3722 2087.2659 1965.7539 104.4777 -206335.4462 17634.9755 0.0000 0.0000 34230.1799 -149561.4211 298.9407 -183791.6010 -149463.6405 298.1733 -113.5539 -77.9380 557221.8799 20.0707 20.1325 PRESSURE: 4445800 -149.87 19.8307 63.2778 19.8304 -38.4187 3.64475 63.2771 3.64574 25.6969 GPRESSURE: 4445800 -130.989 41.0986 54.757 25.0209 15.63 -2.08827 104.489 33.7006 46.0238 PRESSAVG: 4445800 11.0686 18.2904 -26.281 18.2904 -3.81023 20.7953 -26.281 20.7953 14.3274 GPRESSAVG: 4445800 12.2463 18.6102 -29.0253 16.572 -4.96343 22.4684 -25.8421 20.1466 14.3239 TIMING: 4445800 CPU: 13204.4, 0.00292807/step Wall: 13204.4, 0.00292807/step, 0.450761 hours remaining, 208.839844 MB of memory in use. ENERGY: 4445800 727.1532 2137.6528 1928.9346 120.3609 -206431.1868 17786.4063 0.0000 0.0000 34173.2192 -149557.4598 298.4432 -183730.6791 -149453.0232 298.2138 -54.1974 -23.1117 558386.9808 7.1953 7.2023 PRESSURE: 4446000 -323.32 -88.046 -43.8593 -88.0451 -206.507 -143.965 -43.8599 -143.964 -63.0157 GPRESSURE: 4446000 -337.731 -173.794 -13.3026 -71.3816 -145.201 -179.474 -48.9721 -102.892 -12.4275 PRESSAVG: 4446000 6.14638 -59.4989 -41.5219 -59.4989 -75.0424 -18.285 -41.5218 -18.285 65.3468 GPRESSAVG: 4446000 5.58426 -61.8428 -41.6127 -58.4953 -75.125 -18.1823 -41.8278 -19.7504 65.9174 TIMING: 4446000 CPU: 13205, 0.00292652/step Wall: 13205, 0.00292652/step, 0.45036 hours remaining, 208.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4446000 753.7102 2131.6839 1932.2310 125.4769 -206060.3821 17451.7465 0.0000 0.0000 34039.3530 -149626.1808 297.2741 -183665.5338 -149530.4552 297.7528 -197.6141 -165.1201 556659.3892 -1.1831 -1.2078 PRESSURE: 4446200 -282.965 26.0308 163.722 26.0294 31.4888 75.9602 163.723 75.96 -25.7817 GPRESSURE: 4446200 -264.638 65.8096 48.5477 41.6431 81.8424 20.8724 317.186 107.68 -0.852835 PRESSAVG: 4446200 -53.4157 -39.3352 7.04782 -39.3352 -11.3829 -14.1336 7.04788 -14.1336 33.2591 GPRESSAVG: 4446200 -53.4285 -36.8134 9.28962 -40.3906 -9.44913 -15.6778 9.2582 -12.6504 31.7498 TIMING: 4446200 CPU: 13205.6, 0.0029651/step Wall: 13205.6, 0.0029651/step, 0.456131 hours remaining, 208.839844 MB of memory in use. ENERGY: 4446200 761.7734 2093.1303 1935.2039 113.9813 -206526.5195 17800.9175 0.0000 0.0000 34274.8491 -149546.6639 299.3308 -183821.5130 -149451.0734 297.3849 -92.4193 -61.2160 557310.9173 -10.5132 -10.3760 PRESSURE: 4446400 -327.666 -168.36 60.8883 -168.362 67.2396 72.1796 60.8883 72.1786 214.638 GPRESSURE: 4446400 -254.238 -132.09 13.1236 -165.911 156.279 84.7835 86.4343 53.8219 148.798 PRESSAVG: 4446400 -2.78992 -29.0521 -12.5959 -29.0522 41.1148 -0.828354 -12.5959 -0.828393 -10.866 GPRESSAVG: 4446400 -1.87509 -29.463 -14.2763 -27.7396 39.6508 1.19654 -14.0881 -1.68086 -10.0649 TIMING: 4446400 CPU: 13206.2, 0.00293728/step Wall: 13206.2, 0.00293728/step, 0.451688 hours remaining, 208.839844 MB of memory in use. ENERGY: 4446400 691.3001 2019.0086 1934.0951 102.4349 -206224.4326 17713.4753 0.0000 0.0000 34078.4807 -149685.6378 297.6158 -183764.1185 -149586.1104 297.8037 -15.2628 16.9465 557355.3954 9.1530 9.2369 PRESSURE: 4446600 417.357 -211.95 52.3563 -211.95 -88.8656 44.7726 52.3575 44.7715 -26.3025 GPRESSURE: 4446600 355.073 -191.069 14.5042 -178.844 23.9882 74.4095 55.3322 11.5973 19.8864 PRESSAVG: 4446600 15.5068 -18.8279 59.2438 -18.8279 -11.7819 -9.59615 59.2438 -9.59616 31.129 GPRESSAVG: 4446600 15.6607 -18.9391 62.6201 -17.8118 -11.6166 -10.1599 58.3068 -8.57579 30.9229 TIMING: 4446600 CPU: 13206.8, 0.00293147/step Wall: 13206.8, 0.00293147/step, 0.450632 hours remaining, 209.078125 MB of memory in use. ENERGY: 4446600 739.7411 2074.3814 1939.0577 114.2419 -206985.4684 18209.2500 0.0000 0.0000 34120.9854 -149787.8108 297.9871 -183908.7962 -149685.2040 297.2889 100.7296 132.9824 558940.1272 11.6180 11.6557 PRESSURE: 4446800 120.713 -94.5157 -67.2489 -94.5157 40.4111 189.843 -67.2495 189.843 107.431 GPRESSURE: 4446800 146.772 -97.7099 -145.941 -55.0759 71.4704 176.161 -35.1427 148.408 136.116 PRESSAVG: 4446800 66.0845 0.950262 -11.2292 0.95021 -59.8008 -0.00503683 -11.2292 -0.00507565 18.0162 GPRESSAVG: 4446800 65.4861 0.713308 -14.256 0.843313 -59.6364 0.36338 -9.73044 -1.14901 17.4958 TIMING: 4446800 CPU: 13207.3, 0.00291956/step Wall: 13207.3, 0.00291956/step, 0.448639 hours remaining, 209.078125 MB of memory in use. ENERGY: 4446800 729.0246 2052.3127 1945.0021 117.2921 -206745.0504 18093.1266 0.0000 0.0000 33994.6167 -149813.6756 296.8834 -183808.2923 -149719.6451 297.0200 89.5181 118.1196 558549.2304 8.1000 7.7818 PRESSURE: 4447000 -148.533 -94.7111 84.968 -94.7115 -51.931 -43.7265 84.9689 -43.7247 211.097 GPRESSURE: 4447000 -201.097 -52.6366 -53.9091 -122.676 57.3988 27.379 81.9116 -66.7239 240.193 PRESSAVG: 4447000 7.55029 -75.0735 -4.0614 -75.0736 5.08665 -0.127411 -4.06141 -0.127461 26.895 GPRESSAVG: 4447000 6.69434 -75.0773 -5.22401 -75.3457 5.39717 -1.7875 -4.57754 2.3089 27.6235 TIMING: 4447000 CPU: 13207.9, 0.00294705/step Wall: 13207.9, 0.00294705/step, 0.4527 hours remaining, 209.078125 MB of memory in use. ENERGY: 4447000 717.6902 2166.8430 1922.6789 113.7978 -206451.3510 17726.0458 0.0000 0.0000 34134.8286 -149669.4667 298.1079 -183804.2953 -149573.3425 297.4198 3.5441 32.1653 556796.6560 13.1773 13.2383 PRESSURE: 4447200 -28.3737 -152.341 229.093 -152.341 31.5848 -52.1245 229.094 -52.1255 49.296 GPRESSURE: 4447200 2.35041 -206.768 253.638 -71.8548 48.3456 -81.3121 135.116 -50.3692 104.32 PRESSAVG: 4447200 -63.4343 -33.8813 36.7014 -33.8813 50.4688 -64.0841 36.7014 -64.0842 5.26051 GPRESSAVG: 4447200 -63.9279 -34.2667 39.458 -34.7536 50.2871 -62.344 36.511 -64.8085 5.43896 TIMING: 4447200 CPU: 13208.5, 0.0029365/step Wall: 13208.5, 0.0029365/step, 0.450915 hours remaining, 209.078125 MB of memory in use. ENERGY: 4447200 771.4901 2065.8836 1945.3363 106.1225 -206548.6579 17893.5869 0.0000 0.0000 34194.6061 -149571.6323 298.6300 -183766.2384 -149472.5408 298.0329 17.5024 51.6720 558242.3516 -2.5683 -2.7340 PRESSURE: 4447400 444.224 -110.499 -80.4262 -110.499 142.978 -45.2035 -80.4263 -45.203 150.889 GPRESSURE: 4447400 363.455 -221.476 -91.3181 -73.6874 265.428 -99.5929 -133.761 -12.369 210.13 PRESSAVG: 4447400 -14.7201 -70.4347 -45.2203 -70.4346 17.6308 -15.2427 -45.2203 -15.2428 -16.667 GPRESSAVG: 4447400 -14.4716 -71.2512 -44.7051 -69.4353 17.7176 -17.0033 -48.1299 -14.8041 -16.8077 TIMING: 4447400 CPU: 13209.1, 0.00293068/step Wall: 13209.1, 0.00293068/step, 0.449859 hours remaining, 209.078125 MB of memory in use. ENERGY: 4447400 721.3873 2076.2872 1971.4167 127.4483 -206433.5650 18161.6260 0.0000 0.0000 34085.3508 -149290.0486 297.6758 -183375.3994 -149201.6589 299.1476 246.0303 279.6713 557085.4618 -4.5854 -4.5205 PRESSURE: 4447600 122.863 167.632 -13.9901 167.632 -20.7071 181.399 -13.99 181.398 71.9772 GPRESSURE: 4447600 176.263 97.2824 -3.23318 269.047 52.7407 184.276 -15.1438 194.945 40.232 PRESSAVG: 4447600 1.27758 -3.86479 -47.1808 -3.86488 -22.7496 35.9767 -47.1808 35.9768 44.1902 GPRESSAVG: 4447600 1.0176 -1.71753 -46.5596 -5.05773 -22.1574 37.4463 -44.4026 34.7954 43.8052 TIMING: 4447600 CPU: 13209.7, 0.00293891/step Wall: 13209.7, 0.00293891/step, 0.45096 hours remaining, 209.078125 MB of memory in use. ENERGY: 4447600 718.3416 2049.2499 1946.6681 106.9013 -206386.4148 17891.0880 0.0000 0.0000 34431.4598 -149242.7061 300.6985 -183674.1659 -149141.2828 299.0226 58.0445 89.7452 556981.7945 7.5727 7.5552 PRESSURE: 4447800 -146.455 79.9736 -57.9062 79.9739 -149.35 112.971 -57.9074 112.97 -68.1073 GPRESSURE: 4447800 -39.7365 52.4139 1.24244 -28.0613 -146.4 112.106 -85.0178 134.617 -89.7798 PRESSAVG: 4447800 -56.7305 -2.88036 11.2773 -2.88043 18.6229 23.5849 11.2773 23.5849 39.0845 GPRESSAVG: 4447800 -55.4745 -3.82021 10.4485 -2.30176 18.1286 23.1327 10.4394 23.7241 38.2133 TIMING: 4447800 CPU: 13210.3, 0.00295506/step Wall: 13210.3, 0.00295506/step, 0.453273 hours remaining, 209.078125 MB of memory in use. ENERGY: 4447800 743.8063 2131.0794 1961.7754 107.7859 -206156.6036 17738.3424 0.0000 0.0000 34203.8929 -149269.9213 298.7111 -183473.8142 -149178.7036 298.8393 -121.3039 -91.9720 558583.8514 0.3257 0.2891 PRESSURE: 4448000 247.421 -69.4795 -95.3371 -69.4788 118.795 53.4397 -95.3375 53.4422 -57.9852 GPRESSURE: 4448000 258.226 -33.9508 -47.2461 -77.0428 154.894 31.1343 -189.092 50.5686 -14.3661 PRESSAVG: 4448000 -29.5844 -2.62911 -16.8689 -2.62919 -25.7087 55.6247 -16.869 55.6247 48.2806 GPRESSAVG: 4448000 -31.3657 -2.50832 -19.7647 -4.20164 -26.3022 57.8777 -15.2534 54.1658 50.3485 TIMING: 4448000 CPU: 13210.9, 0.00296293/step Wall: 13210.9, 0.00296293/step, 0.454316 hours remaining, 209.078125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4448000 713.1512 2053.3789 1949.8751 112.8968 -206092.2678 17901.6447 0.0000 0.0000 34048.6359 -149312.6852 297.3552 -183361.3211 -149207.8828 298.8755 102.7436 132.9182 557786.4822 -2.3375 -2.4398 PRESSURE: 4448200 18.0802 -37.6762 41.884 -37.6763 -49.857 58.8707 41.8835 58.87 -76.7411 GPRESSURE: 4448200 78.7829 13.4623 -16.5568 -93.5972 25.51 13.2236 128.003 81.0933 -126.859 PRESSAVG: 4448200 -71.067 -37.564 -36.8414 -37.5639 12.1875 -21.1054 -36.8414 -21.1053 60.2121 GPRESSAVG: 4448200 -71.0696 -36.9496 -35.8306 -35.5701 13.7482 -24.4988 -37.2071 -19.2799 58.6813 TIMING: 4448200 CPU: 13211.5, 0.00294432/step Wall: 13211.5, 0.00294432/step, 0.451299 hours remaining, 209.078125 MB of memory in use. ENERGY: 4448200 757.9843 2056.2902 1952.2592 124.0898 -206212.4497 17762.3217 0.0000 0.0000 34120.7746 -149438.7300 297.9852 -183559.5046 -149342.6204 298.5872 -36.1726 -7.5219 556773.8064 0.4442 0.4533 LDB: ============= START OF LOAD BALANCING ============== 13215 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13215 LDB: =============== DONE WITH MIGRATION ================ 13215 LDB: ============= START OF LOAD BALANCING ============== 13215.3 LDB: Largest compute 4809 load 0.021631 is 18.3% of average load 0.118308 LDB: Average compute 0.001736 is 1.5% of average load 0.118308 LDB: TIME 13215.3 LOAD: AVG 0.118308 MAX 0.195987 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.27 MB LDB: TIME 13215.3 LOAD: AVG 0.118308 MAX 0.195987 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.473 MB LDB: TIME 13215.3 LOAD: AVG 0.118308 MAX 0.195987 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.473 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13215.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13215.3 PRESSURE: 4448400 115.078 94.1658 32.4429 94.1645 -88.4104 -131.404 32.4433 -131.405 -94.4598 GPRESSURE: 4448400 105.676 81.2059 -2.31734 96.0976 -70.5474 -199.048 12.0725 -65.6792 -1.24424 PRESSAVG: 4448400 -38.7453 0.963388 -10.4295 0.963418 28.7296 -0.178513 -10.4295 -0.17847 52.6874 GPRESSAVG: 4448400 -38.2831 1.77225 -8.71775 -1.29659 26.9737 0.116792 -11.7041 0.0750117 54.1195 TIMING: 4448400 CPU: 13212.1, 0.00298504/step Wall: 13212.1, 0.00298504/step, 0.457375 hours remaining, 208.914062 MB of memory in use. ENERGY: 4448400 741.3708 2090.6570 1971.2661 123.8782 -206332.8773 17779.8461 0.0000 0.0000 34052.1024 -149573.7567 297.3855 -183625.8591 -149477.0767 299.0011 -22.5974 11.2949 556033.6919 14.2239 14.2700 PRESSURE: 4448600 204.787 157.623 -20.2967 157.623 -100.867 -64.8045 -20.2976 -64.8053 -104.64 GPRESSURE: 4448600 215.646 200.511 6.97106 173.057 -39.5566 -47.5061 -59.8905 -125.425 -79.2957 PRESSAVG: 4448600 -87.6781 36.5833 30.7534 36.5833 -4.58965 17.5209 30.7534 17.5211 44.9718 GPRESSAVG: 4448600 -86.7225 35.6273 30.839 38.3151 -4.15761 20.858 32.8794 15.9616 43.4408 TIMING: 4448600 CPU: 13212.6, 0.00293619/step Wall: 13212.6, 0.00293619/step, 0.449726 hours remaining, 209.113281 MB of memory in use. ENERGY: 4448600 732.7230 2094.7982 1959.7822 108.3666 -206485.1807 18031.1407 0.0000 0.0000 34083.1649 -149475.2051 297.6568 -183558.3701 -149378.4858 298.2540 -0.2400 32.2646 557509.2395 -15.7653 -15.8131 PRESSURE: 4448800 -141.513 -4.9168 22.8435 -4.91769 -135.209 126.216 22.8445 126.215 -236.991 GPRESSURE: 4448800 -161.846 -17.4525 -49.6845 -30.6461 -88.8189 217.083 118.786 142.967 -167.277 PRESSAVG: 4448800 51.5058 47.7705 -37.5032 47.7705 -38.4497 19.4839 -37.5031 19.484 -5.81464 GPRESSAVG: 4448800 50.7714 49.3807 -39.7495 47.9281 -38.5848 17.8149 -36.545 19.5635 -5.52301 TIMING: 4448800 CPU: 13213.2, 0.00292475/step Wall: 13213.2, 0.00292475/step, 0.447812 hours remaining, 209.113281 MB of memory in use. ENERGY: 4448800 750.2238 2152.6244 1976.1707 116.0896 -206382.0831 17752.7085 0.0000 0.0000 34209.1651 -149425.1011 298.7571 -183634.2662 -149321.2582 298.7619 -171.2376 -139.3140 557720.3496 2.4138 2.2212 PRESSURE: 4449000 34.6458 -109.66 -8.09738 -109.66 -339.156 46.5901 -8.09768 46.5903 -166.198 GPRESSURE: 4449000 59.1964 -86.1897 52.5825 -162.732 -285.169 79.0445 -36.2053 20.3311 -146.94 PRESSAVG: 4449000 -15.744 14.8213 0.323468 14.8213 11.3446 33.8754 0.323423 33.8755 20.3701 GPRESSAVG: 4449000 -15.9296 11.3823 0.120044 15.0323 12.4782 35.0214 0.0317099 33.3231 19.6826 TIMING: 4449000 CPU: 13213.8, 0.00293204/step Wall: 13213.8, 0.00293204/step, 0.448765 hours remaining, 209.113281 MB of memory in use. ENERGY: 4449000 732.6760 2087.5009 1919.7572 113.2420 -205801.4263 17461.4823 0.0000 0.0000 34012.2940 -149474.4738 297.0378 -183486.7679 -149378.8698 298.5549 -156.9029 -124.3044 558601.7675 5.3236 5.4104 PRESSURE: 4449200 -345.679 -75.2796 -113.014 -75.2796 -258.154 -25.5601 -113.014 -25.5615 -261.296 GPRESSURE: 4449200 -310.455 -45.833 -91.3693 -42.2637 -213.755 -71.8313 -138.616 10.0731 -251.993 PRESSAVG: 4449200 -16.6141 4.72793 -16.0998 4.72794 -0.962272 10.8631 -16.0996 10.8631 -28.1707 GPRESSAVG: 4449200 -15.8565 7.63886 -14.6832 3.73598 -0.772902 8.49943 -17.6906 12.9824 -28.5838 TIMING: 4449200 CPU: 13214.4, 0.00289856/step Wall: 13214.4, 0.00289856/step, 0.44348 hours remaining, 209.113281 MB of memory in use. ENERGY: 4449200 728.2485 2083.3557 1928.1946 118.3960 -205624.1435 17222.1092 0.0000 0.0000 34154.2592 -149389.5803 298.2776 -183543.8394 -149286.6459 299.1680 -288.3762 -258.7346 558653.2815 -15.2491 -15.0711 PRESSURE: 4449400 -37.287 -42.1789 35.3172 -42.1797 -45.9098 109.457 35.3185 109.455 -5.25143 GPRESSURE: 4449400 9.43486 48.0835 81.9126 -35.8539 -47.839 96.5792 12.4753 130.912 36.7662 PRESSAVG: 4449400 -5.45736 51.6232 4.09201 51.6231 -23.2537 35.1232 4.09196 35.123 36.6613 GPRESSAVG: 4449400 -5.53351 49.5489 5.4352 51.3429 -24.2258 35.07 2.79629 35.1173 37.8087 TIMING: 4449400 CPU: 13215, 0.00292498/step Wall: 13215, 0.00292498/step, 0.447359 hours remaining, 209.113281 MB of memory in use. ENERGY: 4449400 779.4751 2051.4812 1944.0049 119.9738 -206296.5484 17786.2114 0.0000 0.0000 34208.5353 -149406.8668 298.7516 -183615.4020 -149315.5772 298.4153 -29.4827 -0.5460 557270.3014 2.6501 2.6831 PRESSURE: 4449600 -42.3509 -42.9117 224.968 -42.9125 109.003 27.3737 224.969 27.3748 -172.175 GPRESSURE: 4449600 -25.3586 19.3959 306.131 -63.8855 120.568 -27.2726 113.862 75.2299 -115.838 PRESSAVG: 4449600 36.5034 -4.39465 -4.29589 -4.39472 -56.4476 2.15517 -4.29586 2.15521 5.16736 GPRESSAVG: 4449600 36.0229 -2.3302 -5.49072 -4.21793 -56.1143 2.54227 -4.29129 1.27969 5.30727 TIMING: 4449600 CPU: 13215.6, 0.00290844/step Wall: 13215.6, 0.00290844/step, 0.444668 hours remaining, 209.113281 MB of memory in use. ENERGY: 4449600 769.8853 2123.7206 1958.7372 123.1659 -206397.5746 17821.5759 0.0000 0.0000 34192.4644 -149408.0253 298.6113 -183600.4897 -149317.2164 299.1717 -35.1742 -6.8761 557937.8096 -4.9256 -4.9281 PRESSURE: 4449800 -123.904 1.29221 73.9609 1.29142 -178.834 25.358 73.9611 25.3582 -99.2572 GPRESSURE: 4449800 -77.4978 -24.2609 50.128 -24.4088 -159.923 20.8434 -0.422237 -6.11844 -74.2725 PRESSAVG: 4449800 -3.26427 -2.69538 30.5341 -2.69542 31.3126 22.3831 30.534 22.3831 -12.3733 GPRESSAVG: 4449800 -2.14203 -1.16487 29.4028 -2.67774 30.8641 21.8221 30.3785 22.9018 -13.2146 TIMING: 4449800 CPU: 13216.1, 0.00290268/step Wall: 13216.1, 0.00290268/step, 0.443626 hours remaining, 209.113281 MB of memory in use. ENERGY: 4449800 740.9167 2078.3157 1966.7218 106.8805 -206262.5196 17670.5392 0.0000 0.0000 34341.4504 -149357.6953 299.9124 -183699.1457 -149258.2874 298.9470 -133.9984 -103.8978 558001.7965 5.2250 5.1692 PRESSURE: 4450000 -103.795 -116.241 -70.7454 -116.24 -74.5924 -21.4934 -70.7455 -21.4941 54.5719 GPRESSURE: 4450000 -60.1522 -42.432 7.39645 -160.641 -43.362 -25.5704 -124.632 49.1064 83.5044 PRESSAVG: 4450000 3.74664 -1.50609 -9.8145 -1.50618 31.2048 17.8114 -9.81443 17.8114 -20.4554 GPRESSAVG: 4450000 3.22241 -5.57756 -8.76911 -0.230671 32.2478 18.9315 -9.91261 17.7589 -20.2106 TIMING: 4450000 CPU: 13216.7, 0.00291468/step Wall: 13216.7, 0.00291468/step, 0.445298 hours remaining, 209.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4450000 759.6738 2122.0594 1943.7303 114.3875 -206257.4256 17782.0070 0.0000 0.0000 34192.9764 -149342.5912 298.6158 -183535.5676 -149247.0081 299.0571 -41.2718 -6.6699 556382.2198 4.8320 5.0866 PRESSURE: 4450200 -74.9193 -23.692 160.011 -23.6923 -43.4526 -267.306 160.011 -267.308 -11.9092 GPRESSURE: 4450200 0.663434 -30.0123 136.329 0.465796 -60.1829 -187.56 141.293 -203.802 15.8716 PRESSAVG: 4450200 35.9759 -28.8588 -19.7557 -28.8588 -12.7304 25.3849 -19.7557 25.3847 -42.2797 GPRESSAVG: 4450200 35.0619 -27.8964 -19.4672 -29.9502 -13.6104 24.6375 -18.4865 25.4083 -41.4825 TIMING: 4450200 CPU: 13217.3, 0.00293042/step Wall: 13217.3, 0.00293042/step, 0.44754 hours remaining, 209.113281 MB of memory in use. ENERGY: 4450200 745.4378 2087.2557 1963.3992 117.9707 -206021.2975 17635.7674 0.0000 0.0000 34214.4699 -149256.9968 298.8035 -183471.4667 -149163.4621 299.2901 -43.4270 -14.5493 556600.1681 -6.3447 -6.6770 PRESSURE: 4450400 -59.0425 -6.11467 -73.297 -6.11595 -104.875 -28.6546 -73.2971 -28.6532 -190.831 GPRESSURE: 4450400 -10.6737 17.0732 -124.686 -31.535 -109.481 8.36627 -45.9799 -131.202 -136.493 PRESSAVG: 4450400 2.61797 -0.644743 39.7117 -0.644806 -7.5986 57.4987 39.7118 57.4988 -8.85756 GPRESSAVG: 4450400 3.40106 -1.79536 38.0878 -0.436006 -7.75419 58.4755 40.5066 57.1643 -9.27671 TIMING: 4450400 CPU: 13217.9, 0.00292137/step Wall: 13217.9, 0.00292137/step, 0.445996 hours remaining, 209.113281 MB of memory in use. ENERGY: 4450400 798.5788 2063.9191 1909.6707 111.0662 -206240.7010 17858.0630 0.0000 0.0000 34206.7963 -149292.6069 298.7365 -183499.4032 -149196.4079 298.9494 -118.2495 -85.5494 557429.7567 -4.6127 -4.5433 PRESSURE: 4450600 314.855 -79.4722 -98.4325 -79.4727 -75.0048 107.307 -98.4325 107.307 112.314 GPRESSURE: 4450600 393.112 -119.735 -100.062 -63.8023 -49.0411 163.368 -42.0837 77.7833 113.631 PRESSAVG: 4450600 46.5585 33.4572 -5.68827 33.4572 -14.3246 12.0077 -5.68825 12.0075 -26.7483 GPRESSAVG: 4450600 45.9974 36.5833 -4.48149 31.9619 -14.2199 9.75181 -6.93252 12.7047 -26.6539 TIMING: 4450600 CPU: 13218.5, 0.00293217/step Wall: 13218.5, 0.00293217/step, 0.447481 hours remaining, 209.113281 MB of memory in use. ENERGY: 4450600 744.2582 2056.3434 1930.6964 133.4034 -206639.5962 18091.7135 0.0000 0.0000 34252.5784 -149430.6028 299.1363 -183683.1812 -149324.3374 298.9804 117.3878 152.5674 556544.1501 1.8285 1.7079 PRESSURE: 4450800 -255.275 97.633 16.54 97.6338 -112.57 -191.66 16.5407 -191.659 -183.697 GPRESSURE: 4450800 -222.226 53.4758 18.4599 105.546 -67.999 -146.509 58.1112 -173.151 -158.682 PRESSAVG: 4450800 49.1458 33.2323 50.1042 33.2323 -24.4819 6.50028 50.1041 6.50029 -7.64299 GPRESSAVG: 4450800 49.6503 33.1048 47.1458 32.4349 -24.1611 8.27961 52.2662 5.29932 -8.52906 TIMING: 4450800 CPU: 13219.1, 0.00292074/step Wall: 13219.1, 0.00292074/step, 0.445575 hours remaining, 209.113281 MB of memory in use. ENERGY: 4450800 728.9913 2078.5313 1950.5116 112.9229 -205722.7199 17369.7497 0.0000 0.0000 34258.8218 -149223.1913 299.1908 -183482.0130 -149125.1484 299.5525 -183.8474 -149.6354 557615.5730 5.6736 5.6534 PRESSURE: 4451000 171.549 46.6391 99.6099 46.639 -16.9105 -156.664 99.609 -156.665 73.4666 GPRESSURE: 4451000 205.676 118.279 103.494 32.8169 49.6918 -104.137 158.394 -142.724 65.9356 PRESSAVG: 4451000 -34.6939 17.8098 29.2561 17.8098 89.9814 -36.4659 29.2561 -36.4659 -45.871 GPRESSAVG: 4451000 -34.7823 16.7177 31.1261 18.4011 89.6845 -36.3377 28.8692 -36.4373 -45.6483 TIMING: 4451000 CPU: 13219.7, 0.00292036/step Wall: 13219.7, 0.00292036/step, 0.445355 hours remaining, 209.113281 MB of memory in use. ENERGY: 4451000 739.1933 2109.9903 1959.0797 119.5732 -206436.3829 17979.5063 0.0000 0.0000 34385.8603 -149143.1798 300.3003 -183529.0401 -149044.3252 300.1105 76.0351 107.1010 557891.0324 3.1388 3.0846 PRESSURE: 4451200 202.893 -123.843 27.2576 -123.844 80.7332 8.60174 27.2597 8.60079 88.0142 GPRESSURE: 4451200 250.339 -127.665 34.0159 -135.559 88.8558 44.5394 139.378 -17.1316 119.262 PRESSAVG: 4451200 46.1271 -5.6151 -27.5293 -5.61513 -1.94211 -7.58655 -27.5292 -7.58663 -49.8642 GPRESSAVG: 4451200 45.9536 -6.49789 -28.3655 -4.45124 -2.15976 -8.22109 -27.532 -8.57579 -50.04 TIMING: 4451200 CPU: 13220.2, 0.00293611/step Wall: 13220.2, 0.00293611/step, 0.447594 hours remaining, 209.113281 MB of memory in use. ENERGY: 4451200 759.5675 2104.3594 1945.5378 117.0923 -206486.1765 17929.0069 0.0000 0.0000 34482.7847 -149147.8279 301.1467 -183630.6127 -149046.4213 299.7014 123.8801 152.8191 557480.4369 -1.8931 -2.0821 PRESSURE: 4451400 271.218 -9.54626 -13.0341 -9.54635 -79.4577 -28.5738 -13.0336 -28.5735 -141.504 GPRESSURE: 4451400 255.325 14.3046 -69.959 -9.04701 -50.1416 45.6617 5.49642 4.40979 -49.3748 PRESSAVG: 4451400 30.9542 -34.0411 -4.89865 -34.0411 -65.6969 -47.905 -4.89857 -47.9049 -15.3868 GPRESSAVG: 4451400 30.2879 -34.8885 -2.61486 -33.5109 -65.6575 -47.8511 -5.38925 -45.1741 -14.6754 TIMING: 4451400 CPU: 13220.8, 0.00293902/step Wall: 13220.8, 0.00293902/step, 0.447873 hours remaining, 209.113281 MB of memory in use. ENERGY: 4451400 734.1909 2121.5422 1917.9355 103.8449 -206282.9366 17966.0826 0.0000 0.0000 34392.5669 -149046.7735 300.3588 -183439.3405 -148952.8572 299.7378 16.7522 51.9361 557997.2484 -16.7099 -16.6817 PRESSURE: 4451600 -100.792 -168.821 38.8768 -168.82 36.2777 120.922 38.8779 120.923 -49.1991 GPRESSURE: 4451600 -96.2132 -145.886 6.47175 -156.142 98.8428 194.686 58.1819 170.389 -21.1603 PRESSAVG: 4451600 64.8123 -29.079 -53.3001 -29.079 -1.12946 52.8324 -53.3001 52.8324 8.63023 GPRESSAVG: 4451600 65.9822 -27.1166 -54.7874 -29.6866 -2.75685 54.9816 -50.0167 49.292 8.54254 TIMING: 4451600 CPU: 13221.4, 0.00294248/step Wall: 13221.4, 0.00294248/step, 0.448238 hours remaining, 209.113281 MB of memory in use. ENERGY: 4451600 791.7471 2162.9770 1941.8591 112.1709 -206457.7932 17996.9466 0.0000 0.0000 34531.9536 -148920.1390 301.5761 -183452.0926 -148823.9091 300.0062 -37.9045 -6.1769 556820.1184 24.1044 23.9226 PRESSURE: 4451800 107.48 94.4601 15.262 94.4611 -52.9787 -64.0704 15.261 -64.0688 89.4698 GPRESSURE: 4451800 211.852 63.0084 132.413 108.543 -92.5685 -110.187 17.9506 -63.2495 126.931 PRESSAVG: 4451800 -39.9737 -40.5634 -7.47039 -40.5634 45.6491 17.3311 -7.47045 17.331 -26.2603 GPRESSAVG: 4451800 -39.7598 -42.0935 -7.01775 -40.1528 45.2588 15.9722 -9.56895 19.2434 -26.2667 TIMING: 4451800 CPU: 13222, 0.00299304/step Wall: 13222, 0.00299304/step, 0.455773 hours remaining, 209.113281 MB of memory in use. ENERGY: 4451800 731.1233 2079.7095 1936.9796 113.3861 -206232.7423 17845.6061 0.0000 0.0000 34473.7037 -149052.2341 301.0674 -183525.9378 -148959.5593 300.1851 47.9903 82.0713 557571.7592 -6.8617 -6.9226 PRESSURE: 4452000 114.059 -54.583 4.76381 -54.5838 25.427 -110.006 4.76298 -110.005 -92.6439 GPRESSURE: 4452000 162.909 -87.7142 54.4587 -71.1989 5.51605 -106.896 -57.9535 -95.8499 -19.2785 PRESSAVG: 4452000 -18.8398 30.9731 -14.3469 30.9731 14.5672 -30.7793 -14.3469 -30.7794 -52.766 GPRESSAVG: 4452000 -18.3143 32.5533 -13.4879 28.6623 14.5546 -32.1252 -16.3405 -33.1347 -52.7978 TIMING: 4452000 CPU: 13222.6, 0.0029665/step Wall: 13222.6, 0.0029665/step, 0.451568 hours remaining, 209.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4452000 745.3488 2163.1108 1962.7749 118.9875 -206375.4758 17879.5873 0.0000 0.0000 34364.4908 -149141.1755 300.1136 -183505.6664 -149041.8805 299.3126 15.6139 49.7156 556670.3471 -19.0129 -18.8525 PRESSURE: 4452200 180.883 39.7887 -137.688 39.7874 -123.886 224.958 -137.688 224.959 127.1 GPRESSURE: 4452200 165.744 60.2496 -107.4 49.6135 -29.484 286.248 -200.393 232.779 147.687 PRESSAVG: 4452200 -29.0216 -24.1408 11.5616 -24.1408 -6.43342 -46.7957 11.5616 -46.7957 26.6521 GPRESSAVG: 4452200 -31.4561 -24.9583 9.79895 -22.3919 -5.38941 -46.0705 12.4104 -45.8906 28.0894 TIMING: 4452200 CPU: 13223.2, 0.00297535/step Wall: 13223.2, 0.00297535/step, 0.452749 hours remaining, 209.113281 MB of memory in use. ENERGY: 4452200 709.6203 2176.5974 1954.6085 106.3747 -206544.7074 17913.3264 0.0000 0.0000 34361.7189 -149322.4613 300.0894 -183684.1802 -149225.7624 299.1396 61.3659 94.6487 557149.0735 -2.9343 -2.9187 LDB: ============= START OF LOAD BALANCING ============== 13226.7 LDB: ============== END OF LOAD BALANCING =============== 13226.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13226.7 LDB: ============= START OF LOAD BALANCING ============== 13227 LDB: Largest compute 4809 load 0.021742 is 18.4% of average load 0.118337 LDB: Average compute 0.001735 is 1.5% of average load 0.118337 LDB: TIME 13227 LOAD: AVG 0.118337 MAX 0.197628 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.242 MB LDB: TIME 13227 LOAD: AVG 0.118337 MAX 0.197628 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.242 MB LDB: TIME 13227 LOAD: AVG 0.118337 MAX 0.197628 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.242 MB LDB: ============== END OF LOAD BALANCING =============== 13227 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13227.1 PRESSURE: 4452400 208.883 51.9505 32.484 51.9496 212.252 113.211 32.4851 113.213 -53.9309 GPRESSURE: 4452400 257.705 116.977 45.1372 30.8524 267.033 75.9533 69.8755 107.445 -51.1655 PRESSAVG: 4452400 5.19041 53.7846 39.3845 53.7845 -33.239 96.6156 39.3846 96.6157 55.3192 GPRESSAVG: 4452400 7.79022 57.2691 40.523 50.0805 -34.575 96.7813 39.1122 97.672 54.2856 TIMING: 4452400 CPU: 13223.8, 0.0030029/step Wall: 13223.8, 0.0030029/step, 0.456774 hours remaining, 207.835938 MB of memory in use. ENERGY: 4452400 721.6928 2130.5921 1919.2349 109.2618 -206302.3957 17954.2648 0.0000 0.0000 34353.4204 -149113.9289 300.0170 -183467.3493 -149006.3311 299.0424 122.4011 157.8576 556478.7494 9.0902 9.1669 PRESSURE: 4452600 81.2285 188.844 -37.0285 188.844 -196.497 107.747 -37.028 107.747 199.15 GPRESSURE: 4452600 81.775 196.941 -40.8385 175.008 -138.225 139.055 34.2574 104.046 225.002 PRESSAVG: 4452600 18.4942 14.8843 18.426 14.8842 -15.6122 4.61959 18.426 4.61957 -32.8254 GPRESSAVG: 4452600 16.7718 12.9971 19.6051 18.1736 -14.4494 2.32318 19.3308 5.76324 -32.4133 TIMING: 4452600 CPU: 13224.4, 0.00295072/step Wall: 13224.4, 0.00295072/step, 0.448674 hours remaining, 207.835938 MB of memory in use. ENERGY: 4452600 745.9763 2103.9232 1922.8434 121.2125 -206059.6399 17812.3274 0.0000 0.0000 34314.3792 -149038.9780 299.6760 -183353.3572 -148950.9061 299.5535 27.9605 56.1840 558269.1290 -9.9811 -10.0303 PRESSURE: 4452800 -20.0865 8.48123 -151.782 8.48071 -113.806 -100.391 -151.781 -100.391 152.358 GPRESSURE: 4452800 15.7363 61.2305 -118.134 -59.9684 -80.5574 -41.3837 -176.305 -69.6263 190.321 PRESSAVG: 4452800 41.7341 5.34976 -24.8266 5.3498 -44.8453 -19.7078 -24.8265 -19.7078 41.1431 GPRESSAVG: 4452800 43.4122 3.80588 -25.1938 5.61852 -45.7163 -16.0128 -24.8868 -22.0447 40.6696 TIMING: 4452800 CPU: 13225, 0.0029709/step Wall: 13225, 0.0029709/step, 0.451577 hours remaining, 207.835938 MB of memory in use. ENERGY: 4452800 734.2271 2105.7682 1955.2877 102.9052 -206256.0981 17841.3485 0.0000 0.0000 34292.6737 -149223.8878 299.4864 -183516.5615 -149129.4308 300.2247 6.1552 41.8333 556979.7914 12.6773 12.7885 PRESSURE: 4453000 78.3735 -105.302 -78.8927 -105.303 -9.34285 -56.8772 -78.8921 -56.8761 -192.986 GPRESSURE: 4453000 100.336 -108.992 -65.3452 42.0552 28.9633 -33.1456 -59.4347 -9.30023 -150.332 PRESSAVG: 4453000 -25.3341 -9.52254 -36.1128 -9.52246 50.9965 -20.6885 -36.1127 -20.6885 -28.226 GPRESSAVG: 4453000 -24.9443 -10.2579 -37.5265 -7.73587 51.2651 -23.0928 -36.3869 -20.1163 -28.6701 TIMING: 4453000 CPU: 13225.6, 0.00298585/step Wall: 13225.6, 0.00298585/step, 0.453683 hours remaining, 207.835938 MB of memory in use. ENERGY: 4453000 721.3914 2115.1065 1976.3809 131.9338 -206238.6142 17789.8462 0.0000 0.0000 34346.3836 -149157.5718 299.9555 -183503.9555 -149066.9943 298.8845 -41.3184 -7.0110 558147.2971 -0.8545 -0.7831 PRESSURE: 4453200 -64.038 -300.598 -53.2522 -300.599 -92.8298 38.2205 -53.253 38.2192 -134.319 GPRESSURE: 4453200 -44.0212 -249.28 -14.2838 -207.598 -69.6695 79.4401 -60.8053 39.2719 -75.4753 PRESSAVG: 4453200 29.089 1.92209 -42.0777 1.92216 -17.6431 35.6086 -42.0777 35.6086 30.0372 GPRESSAVG: 4453200 28.8052 4.10849 -40.4175 0.923168 -18.3642 36.6193 -42.9657 35.0297 30.6641 TIMING: 4453200 CPU: 13226.2, 0.00297354/step Wall: 13226.2, 0.00297354/step, 0.451648 hours remaining, 207.835938 MB of memory in use. ENERGY: 4453200 759.9360 2141.7450 1948.4759 117.9369 -206146.0240 17703.6200 0.0000 0.0000 34438.8913 -149035.4191 300.7634 -183474.3103 -148936.2966 299.7330 -97.0623 -63.0553 557676.6757 13.8277 13.7017 PRESSURE: 4453400 -89.8707 28.6555 -24.3689 28.6538 146.385 16.1877 -24.3699 16.1897 -218.009 GPRESSURE: 4453400 -9.17218 138.963 -41.6574 -25.9344 151.973 -68.9555 43.6391 57.1454 -212.503 PRESSAVG: 4453400 -37.9804 -54.838 -23.7634 -54.838 -1.83122 42.4478 -23.7634 42.4478 35.2776 GPRESSAVG: 4453400 -39.6209 -54.3409 -25.6611 -55.6419 -1.3816 39.7991 -23.6399 45.0333 36.2757 TIMING: 4453400 CPU: 13226.8, 0.00294016/step Wall: 13226.8, 0.00294016/step, 0.446415 hours remaining, 207.835938 MB of memory in use. ENERGY: 4453400 702.7396 2067.1042 1943.9869 115.7053 -205949.3413 17675.9064 0.0000 0.0000 34555.5290 -148888.3699 301.7820 -183443.8989 -148780.3962 300.3176 -53.8316 -23.2340 557434.1153 -1.5113 -1.5756 PRESSURE: 4453600 -45.9953 171.872 60.391 171.873 66.9833 -111.517 60.3909 -111.515 -99.7418 GPRESSURE: 4453600 6.80178 185.363 -36.062 117.923 55.369 -30.8685 94.2278 -67.462 -27.1715 PRESSAVG: 4453600 55.6729 13.0228 20.5749 13.0227 -17.023 -3.84808 20.575 -3.84815 39.6974 GPRESSAVG: 4453600 56.949 12.4271 20.3197 14.0316 -18.056 -0.57241 23.186 -6.5504 39.8523 TIMING: 4453600 CPU: 13227.4, 0.00294493/step Wall: 13227.4, 0.00294493/step, 0.446974 hours remaining, 207.835938 MB of memory in use. ENERGY: 4453600 750.6906 2073.9874 1906.4707 104.5076 -206143.3653 17867.8277 0.0000 0.0000 34599.7542 -148840.1271 302.1683 -183439.8813 -148745.7191 300.6140 -26.2513 11.6664 557984.2103 26.1158 26.2485 PRESSURE: 4453800 29.515 241.671 54.3841 241.672 61.722 -130.614 54.3824 -130.612 62.4963 GPRESSURE: 4453800 37.732 225.984 1.80212 152.205 82.0475 -93.1267 87.2538 -187.904 124.525 PRESSAVG: 4453800 -22.5353 28.2191 36.2164 28.2191 8.16604 2.00057 36.2164 2.00068 -20.8058 GPRESSAVG: 4453800 -20.7535 30.5401 36.7383 25.3264 7.73697 0.859582 34.388 2.42076 -22.3164 TIMING: 4453800 CPU: 13227.9, 0.00289052/step Wall: 13227.9, 0.00289052/step, 0.438556 hours remaining, 207.835938 MB of memory in use. ENERGY: 4453800 747.7003 2033.1347 1933.1704 113.6526 -205876.7196 17843.3603 0.0000 0.0000 34341.8936 -148863.8078 299.9163 -183205.7013 -148774.2973 300.2724 51.2445 81.4348 557978.1777 -11.7250 -11.7776 PRESSURE: 4454000 -30.5757 273.686 49.7029 273.686 -330.303 92.3997 49.7035 92.3995 -9.03965 GPRESSURE: 4454000 -12.6541 265.615 58.9182 224.309 -316.41 11.8147 28.823 143.087 51.1169 PRESSAVG: 4454000 -1.59424 1.83146 14.1176 1.8314 3.30499 13.2442 14.1176 13.2441 -22.9319 GPRESSAVG: 4454000 -4.13575 -0.835178 15.3096 5.21989 4.42598 14.5657 13.1194 13.2252 -21.4654 TIMING: 4454000 CPU: 13228.5, 0.00291976/step Wall: 13228.5, 0.00291976/step, 0.442831 hours remaining, 207.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4454000 731.2325 2094.5364 1928.5524 111.8273 -205503.1654 17477.3892 0.0000 0.0000 34375.2762 -148784.3513 300.2078 -183159.6275 -148690.4135 299.9963 -123.3063 -92.6491 558968.6752 -7.0737 -7.0584 PRESSURE: 4454200 -200.233 -110.831 -40.8945 -110.83 -231.238 -127.657 -40.894 -127.657 11.5813 GPRESSURE: 4454200 -155.856 -27.2224 -117.467 -116.644 -238.231 -176.239 -82.7418 -126.545 75.3219 PRESSAVG: 4454200 -18.7761 -3.91077 34.7253 -3.91078 -59.054 -38.9834 34.7253 -38.9835 73.5848 GPRESSAVG: 4454200 -17.8512 -4.35394 33.8671 -3.95704 -59.9716 -38.9578 35.0445 -39.6321 73.8886 TIMING: 4454200 CPU: 13229.1, 0.00296132/step Wall: 13229.1, 0.00296132/step, 0.448969 hours remaining, 207.835938 MB of memory in use. ENERGY: 4454200 733.4397 2065.5531 1931.7621 108.9078 -205336.7128 17532.0863 0.0000 0.0000 34204.6539 -148760.3099 298.7177 -182964.9638 -148669.0638 300.2050 -139.9631 -106.2549 560172.2006 -1.4151 -1.3114 PRESSURE: 4454400 47.0411 -0.481722 124.035 -0.482394 -11.3849 -14.9149 124.034 -14.9153 -16.4782 GPRESSURE: 4454400 68.0475 28.8455 131.163 -67.9702 27.1506 -66.2835 57.2715 101.287 28.345 PRESSAVG: 4454400 -50.5151 15.5458 -28.5757 15.5458 54.3873 20.2855 -28.5757 20.2854 22.2574 GPRESSAVG: 4454400 -50.3562 13.774 -28.5492 15.5267 54.4594 18.4367 -29.8488 20.3169 22.6091 TIMING: 4454400 CPU: 13229.7, 0.00296183/step Wall: 13229.7, 0.00296183/step, 0.448882 hours remaining, 207.835938 MB of memory in use. ENERGY: 4454400 738.8899 2087.1758 1920.6392 107.0017 -206155.6748 17925.4983 0.0000 0.0000 34609.2417 -148767.2282 302.2511 -183376.4699 -148664.5085 299.9486 6.3927 41.1810 558341.1362 8.7099 8.9041 PRESSURE: 4454600 35.1751 -29.7935 71.3228 -29.7928 -40.1491 70.5003 71.3239 70.5001 -68.1239 GPRESSURE: 4454600 17.2123 -59.9887 38.8943 33.2205 58.4373 94.1078 28.6256 161.706 -44.8446 PRESSAVG: 4454600 22.1332 48.8884 -23.4744 48.8884 12.8895 28.1584 -23.4743 28.1584 -64.8725 GPRESSAVG: 4454600 21.4953 53.0322 -23.5823 46.647 14.6193 29.1664 -21.6439 27.4621 -66.4773 TIMING: 4454600 CPU: 13230.3, 0.00294321/step Wall: 13230.3, 0.00294321/step, 0.445897 hours remaining, 207.835938 MB of memory in use. ENERGY: 4454600 742.0019 2095.8386 1949.0126 108.1047 -205993.7396 17735.4137 0.0000 0.0000 34679.3532 -148684.0147 302.8634 -183363.3680 -148588.9629 300.1914 -24.3659 10.2683 558469.2945 -9.9499 -10.1209 PRESSURE: 4454800 -68.5771 94.0389 -21.7795 94.0386 63.8072 193.874 -21.7795 193.874 -132.733 GPRESSURE: 4454800 -32.3704 103.036 29.779 132.673 60.8415 222.989 -79.0262 179.024 -67.6729 PRESSAVG: 4454800 -79.12 -21.8844 -10.1032 -21.8845 83.711 3.40585 -10.1032 3.40597 12.1032 GPRESSAVG: 4454800 -79.6497 -23.2362 -9.77787 -20.818 83.5672 6.33943 -10.0247 2.76794 12.8704 TIMING: 4454800 CPU: 13230.9, 0.00292182/step Wall: 13230.9, 0.00292182/step, 0.442494 hours remaining, 207.835938 MB of memory in use. ENERGY: 4454800 781.0135 2100.6765 1939.6361 108.0067 -206067.5175 17880.6176 0.0000 0.0000 34497.9639 -148759.6031 301.2793 -183257.5671 -148657.6572 301.3451 -45.8341 -13.0672 559149.5755 5.5647 5.5960 PRESSURE: 4455000 -31.1395 -166.404 -7.11406 -166.404 -219.523 -41.9982 -7.11472 -41.9969 57.806 GPRESSURE: 4455000 44.0922 -147.17 -22.3476 -143.941 -183.412 -63.3998 11.6507 -118.938 31.6619 PRESSAVG: 4455000 45.0316 19.9837 10.723 19.9837 -38.5977 -52.1497 10.723 -52.1499 -1.24768 GPRESSAVG: 4455000 44.4405 20.5572 11.4865 22.1059 -37.5049 -55.2477 10.0946 -50.6093 -2.43179 TIMING: 4455000 CPU: 13231.5, 0.00292484/step Wall: 13231.5, 0.00292484/step, 0.442788 hours remaining, 207.835938 MB of memory in use. ENERGY: 4455000 712.4590 2094.7943 1961.1265 113.9245 -205504.6994 17633.2407 0.0000 0.0000 34259.4960 -148729.6584 299.1967 -182989.1543 -148632.9065 300.1607 -64.2855 -35.8859 560158.2551 1.7287 1.5012 PRESSURE: 4455200 -228.098 -50.1322 80.385 -50.1322 -135.167 -74.9472 80.385 -74.9466 -170.405 GPRESSURE: 4455200 -221.408 24.0652 42.6291 -81.7627 -81.9608 -165.598 100.343 -3.26694 -126.133 PRESSAVG: 4455200 -9.54682 0.840551 46.7175 0.840551 -43.4886 -6.36259 46.7175 -6.36281 23.9794 GPRESSAVG: 4455200 -8.50824 0.921731 44.931 -3.27124 -44.7452 -7.6621 48.0874 -6.17236 24.0271 TIMING: 4455200 CPU: 13232, 0.00291457/step Wall: 13232, 0.00291457/step, 0.441071 hours remaining, 207.835938 MB of memory in use. ENERGY: 4455200 723.2399 2031.6677 1938.0431 111.6113 -205041.0157 17302.4085 0.0000 0.0000 34196.5580 -148737.4872 298.6470 -182934.0453 -148642.6872 299.7169 -177.8899 -143.1673 559312.1679 -9.6853 -9.7421 PRESSURE: 4455400 -164.84 2.49234 15.4982 2.49269 -156.067 25.9464 15.4973 25.9487 -87.7761 GPRESSURE: 4455400 -140.379 -29.6299 44.4005 14.7692 -104.179 50.9096 22.5841 23.1553 -72.0445 PRESSAVG: 4455400 -42.2642 48.8444 -12.5898 48.8444 23.1375 15.2501 -12.5899 15.2501 21.2266 GPRESSAVG: 4455400 -41.8133 48.7095 -11.2139 49.3422 23.8178 16.6607 -13.3881 16.7399 20.1248 TIMING: 4455400 CPU: 13232.6, 0.00292576/step Wall: 13232.6, 0.00292576/step, 0.442603 hours remaining, 207.835938 MB of memory in use. ENERGY: 4455400 758.3707 2099.2438 1928.3254 106.5052 -205859.1154 17564.5712 0.0000 0.0000 34597.0771 -148805.0220 302.1449 -183402.0991 -148698.2678 300.4767 -136.2277 -105.5341 559543.7828 0.7000 0.7098 PRESSURE: 4455600 34.4402 10.1988 90.5418 10.1995 -104.342 -49.3854 90.5417 -49.3841 -14.959 GPRESSURE: 4455600 0.25409 12.4426 117.444 44.9781 -53.239 40.4119 106.501 -62.321 60.8639 PRESSAVG: 4455600 -86.6542 -11.4828 -6.83109 -11.4828 -2.5496 -22.153 -6.83104 -22.153 8.31694 GPRESSAVG: 4455600 -87.4708 -12.05 -6.6469 -9.61633 -2.17596 -22.8071 -9.104 -22.7036 9.00959 TIMING: 4455600 CPU: 13233.2, 0.00294366/step Wall: 13233.2, 0.00294366/step, 0.445147 hours remaining, 207.835938 MB of memory in use. ENERGY: 4455600 749.2861 2087.5211 1910.3885 116.0739 -206028.7228 17914.3228 0.0000 0.0000 34310.2504 -148940.8799 299.6400 -183251.1303 -148848.5025 300.3312 -28.2868 2.6263 558192.5749 -26.9623 -26.8791 PRESSURE: 4455800 33.6591 38.9585 -93.4547 38.9591 77.4236 113.914 -93.4546 113.913 169.793 GPRESSURE: 4455800 38.0496 19.6352 -176.787 -33.2362 89.7714 154.105 -44.4689 13.7527 251.431 PRESSAVG: 4455800 -22.4905 0.531062 11.3606 0.531161 15.8631 31.6785 11.3606 31.6785 -33.1344 GPRESSAVG: 4455800 -20.8963 0.472948 11.1336 -0.544368 14.5019 32.9235 12.4309 28.621 -33.0747 TIMING: 4455800 CPU: 13233.8, 0.00295869/step Wall: 13233.8, 0.00295869/step, 0.447255 hours remaining, 207.835938 MB of memory in use. ENERGY: 4455800 732.7573 2066.9349 1940.1376 108.4058 -205993.6525 17827.2793 0.0000 0.0000 34447.5092 -148870.6284 300.8387 -183318.1375 -148783.8698 299.8771 93.6253 126.4172 558704.4507 -13.2539 -13.1564 PRESSURE: 4456000 9.25354 128.144 114.581 128.145 -75.2378 -143.91 114.583 -143.908 -277.307 GPRESSURE: 4456000 81.0348 102.958 142.613 153.757 -101.542 -85.8668 70.1792 -149.969 -224.767 PRESSAVG: 4456000 38.7879 -18.9214 -37.9606 -18.9214 -5.16014 -9.97006 -37.9607 -9.97011 6.35044 GPRESSAVG: 4456000 38.8668 -17.4144 -38.717 -19.2316 -5.59544 -9.21094 -37.3688 -8.54761 6.71444 TIMING: 4456000 CPU: 13234.4, 0.00293584/step Wall: 13234.4, 0.00293584/step, 0.443638 hours remaining, 207.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4456000 758.6748 2047.3703 1972.7793 113.8178 -205619.2695 17546.3796 0.0000 0.0000 34491.0023 -148689.2454 301.2185 -183180.2477 -148590.9018 300.2597 -114.4305 -81.7579 558025.0534 13.3261 13.3286 PRESSURE: 4456200 110.79 26.9234 -53.7667 26.9245 110.758 82.7275 -53.7665 82.727 86.4024 GPRESSURE: 4456200 129.026 -15.4788 -81.5776 22.9225 152.159 84.1834 -41.8131 135.078 128.747 PRESSAVG: 4456200 58.5142 3.16533 -40.3882 3.16535 10.4498 21.3934 -40.3883 21.3934 -62.7067 GPRESSAVG: 4456200 57.5738 2.5881 -38.3278 4.11626 11.8714 20.3383 -42.0983 22.2299 -62.5561 TIMING: 4456200 CPU: 13235, 0.00294785/step Wall: 13235, 0.00294785/step, 0.44529 hours remaining, 207.835938 MB of memory in use. ENERGY: 4456200 731.6518 2120.0714 1943.3899 116.4711 -206286.8725 17924.9968 0.0000 0.0000 34698.1941 -148752.0973 303.0280 -183450.2915 -148657.7426 300.8129 102.6499 136.6439 557847.2989 2.0858 2.2964 LDB: ============= START OF LOAD BALANCING ============== 13238.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13238.5 LDB: =============== DONE WITH MIGRATION ================ 13238.5 LDB: ============= START OF LOAD BALANCING ============== 13238.8 LDB: Largest compute 4809 load 0.021050 is 17.8% of average load 0.118302 LDB: Average compute 0.001739 is 1.5% of average load 0.118302 LDB: TIME 13238.8 LOAD: AVG 0.118302 MAX 0.195093 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.605 MB LDB: TIME 13238.8 LOAD: AVG 0.118302 MAX 0.195093 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.605 MB LDB: TIME 13238.8 LOAD: AVG 0.118302 MAX 0.195093 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.605 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13238.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13238.8 PRESSURE: 4456400 -105.973 -76.3171 -96.8864 -76.3161 -207.077 -108.317 -96.8869 -108.318 -49.0532 GPRESSURE: 4456400 -1.92715 -45.6343 -53.9707 -140.979 -208.806 -54.9124 -66.4536 -71.9337 -60.6304 PRESSAVG: 4456400 11.2444 -9.77337 12.9158 -9.77345 3.74512 -3.65993 12.9158 -3.65988 18.7093 GPRESSAVG: 4456400 11.6195 -14.3739 14.0152 -7.84959 3.48898 -3.83215 11.1408 -3.08637 18.8414 TIMING: 4456400 CPU: 13235.6, 0.00298679/step Wall: 13235.6, 0.00298679/step, 0.451006 hours remaining, 210.398438 MB of memory in use. ENERGY: 4456400 748.8757 2058.6677 1941.3769 117.9338 -205796.7447 17638.8201 0.0000 0.0000 34318.0675 -148973.0030 299.7082 -183291.0705 -148864.6839 300.9607 -120.7009 -90.4546 559683.9953 11.2329 11.3166 PRESSURE: 4456600 -15.9744 -18.1077 78.2923 -18.1079 -222.872 -42.4098 78.2929 -42.4098 -220.324 GPRESSURE: 4456600 43.4358 61.6346 66.5111 6.84859 -144.545 14.2115 21.3003 -53.3754 -268.285 PRESSAVG: 4456600 18.846 -19.0453 6.10709 -19.0454 43.7773 -40.5505 6.10707 -40.5505 -67.0542 GPRESSAVG: 4456600 18.3015 -17.0056 3.27689 -20.5913 45.0214 -38.2853 8.31941 -43.4359 -67.6557 TIMING: 4456600 CPU: 13236.2, 0.00293366/step Wall: 13236.2, 0.00293366/step, 0.44282 hours remaining, 210.468750 MB of memory in use. ENERGY: 4456600 735.8747 2100.0854 1939.7567 113.3464 -205768.7963 17459.7201 0.0000 0.0000 34493.3152 -148926.6978 301.2387 -183420.0130 -148832.9537 300.5527 -153.0568 -123.1311 558262.8017 -1.4770 -1.4442 PRESSURE: 4456800 151.391 -83.5757 0.405483 -83.5744 -7.68943 -52.658 0.404156 -52.6592 177.378 GPRESSURE: 4456800 220.264 -54.0291 -7.75208 -77.4325 -13.937 6.21887 2.99342 -79.0478 211.461 PRESSAVG: 4456800 -21.1417 -19.6146 -38.0293 -19.6146 9.27468 12.0338 -38.0294 12.0338 -24.7224 GPRESSAVG: 4456800 -19.6873 -19.0195 -37.2407 -17.6887 7.24583 10.2264 -38.293 14.9727 -24.4477 TIMING: 4456800 CPU: 13236.8, 0.00291216/step Wall: 13236.8, 0.00291216/step, 0.439412 hours remaining, 210.468750 MB of memory in use. ENERGY: 4456800 730.8081 2078.6466 1940.7889 122.1369 -205891.3585 17872.3062 0.0000 0.0000 34473.3054 -148673.3663 301.0640 -183146.6718 -148576.9705 301.0962 107.0266 139.2627 556185.2756 -12.1965 -12.2964 PRESSURE: 4457000 -7.07516 -90.1387 -55.0902 -90.1397 -45.3745 -15.9581 -55.0892 -15.9577 -111.336 GPRESSURE: 4457000 46.801 -96.122 -37.9482 56.3121 -37.7979 -5.75064 -8.50434 -61.0605 -77.3103 PRESSAVG: 4457000 12.0576 -45.88 -0.154964 -45.8798 -47.8055 -0.580644 -0.15501 -0.580557 39.0263 GPRESSAVG: 4457000 12.0132 -46.5527 0.55835 -46.3373 -46.5972 0.530908 0.138607 -1.19952 37.8724 TIMING: 4457000 CPU: 13237.3, 0.0029083/step Wall: 13237.3, 0.0029083/step, 0.438669 hours remaining, 210.468750 MB of memory in use. ENERGY: 4457000 729.9319 2086.7579 1939.0517 121.0483 -205476.9037 17521.0449 0.0000 0.0000 34406.2714 -148672.7977 300.4785 -183079.0691 -148584.0940 300.9335 -54.5953 -22.7690 558726.3750 1.0928 1.0961 PRESSURE: 4457200 49.7862 -37.5047 5.76191 -37.5043 -135.635 -81.1417 5.76202 -81.1404 -82.0074 GPRESSURE: 4457200 23.7276 -140.2 65.9788 -29.7326 -67.8088 -47.5366 -19.0047 -28.0218 -28.4925 PRESSAVG: 4457200 52.5228 -10.3986 -18.6453 -10.3985 -10.3883 -4.46181 -18.6453 -4.46172 -34.7868 GPRESSAVG: 4457200 52.5706 -9.93185 -18.8612 -9.81797 -10.4964 -5.06573 -16.6538 -4.76954 -35.1964 TIMING: 4457200 CPU: 13237.9, 0.00292493/step Wall: 13237.9, 0.00292493/step, 0.441014 hours remaining, 210.468750 MB of memory in use. ENERGY: 4457200 725.7868 2086.2881 1942.2139 118.2844 -205597.3434 17449.9337 0.0000 0.0000 34525.1591 -148749.6774 301.5168 -183274.8366 -148652.6000 301.4186 -55.9520 -24.1912 557785.3589 2.4492 2.2926 PRESSURE: 4457400 -4.64343 48.1608 -196.407 48.1601 8.244 -44.1835 -196.406 -44.1835 -112.322 GPRESSURE: 4457400 80.1416 -1.52351 -290.168 126.804 9.19616 -106.232 -242.26 -58.8817 -99.0146 PRESSAVG: 4457400 4.5365 -15.1723 -38.2592 -15.1723 28.2009 4.42994 -38.2592 4.42989 -15.2741 GPRESSAVG: 4457400 5.18814 -15.7207 -39.936 -17.2949 27.5405 4.79387 -38.2765 4.66413 -14.921 TIMING: 4457400 CPU: 13238.5, 0.00292234/step Wall: 13238.5, 0.00292234/step, 0.440461 hours remaining, 210.468750 MB of memory in use. ENERGY: 4457400 743.7530 2060.8591 1938.6913 114.6875 -205936.5911 17706.2088 0.0000 0.0000 34466.7722 -148905.6192 301.0069 -183372.3913 -148809.6134 300.7040 -36.2405 -3.2256 558170.9571 5.8211 5.9359 PRESSURE: 4457600 -82.0611 -53.0786 -141.224 -53.0791 -65.5226 37.9355 -141.224 37.9374 -226.613 GPRESSURE: 4457600 -126.32 -99.2525 -84.3684 35.6111 -43.6205 5.15655 -143.787 -1.7345 -112.678 PRESSAVG: 4457600 -23.4319 26.1222 11.9132 26.1222 3.03362 21.6616 11.9131 21.6617 61.4085 GPRESSAVG: 4457600 -25.1057 27.6706 13.8588 26.6117 4.15592 21.7171 9.90013 20.1351 62.4412 TIMING: 4457600 CPU: 13239.1, 0.00292871/step Wall: 13239.1, 0.00292871/step, 0.441258 hours remaining, 210.468750 MB of memory in use. ENERGY: 4457600 750.3456 2111.3588 1967.6129 97.6901 -205521.1198 17421.4666 0.0000 0.0000 34202.6843 -148969.9614 298.7005 -183172.6458 -148880.6259 300.4473 -124.7322 -94.2062 557845.4231 13.6701 13.8305 PRESSURE: 4457800 -83.9622 -81.0716 -68.6228 -81.0703 -42.8865 69.6018 -68.6239 69.6025 92.4168 GPRESSURE: 4457800 -76.4222 17.8003 -84.2105 -140.855 54.5387 64.5758 -28.4212 18.6936 80.2203 PRESSAVG: 4457800 25.7203 -20.5579 4.38466 -20.5578 4.7208 -12.031 4.38468 -12.031 -10.275 GPRESSAVG: 4457800 27.0067 -20.8052 3.70281 -21.0586 4.47088 -10.4568 4.7938 -12.6344 -11.4012 TIMING: 4457800 CPU: 13239.7, 0.00292914/step Wall: 13239.7, 0.00292914/step, 0.441161 hours remaining, 210.468750 MB of memory in use. ENERGY: 4457800 752.1510 2147.6379 1967.3829 111.8764 -205831.5252 17724.6609 0.0000 0.0000 34422.2105 -148705.6056 300.6177 -183127.8161 -148608.5069 300.4793 -11.4773 19.4456 558867.8479 6.7220 6.6921 PRESSURE: 4458000 -210.987 -17.7374 38.6489 -17.7352 112.032 -208.462 38.6481 -208.461 77.6264 GPRESSURE: 4458000 -180.884 -55.7854 -41.2729 12.3744 134.795 -142.286 58.558 -225.933 126.723 PRESSAVG: 4458000 7.63537 -2.28494 -49.7677 -2.28491 26.4313 -35.0996 -49.7677 -35.0995 -24.4079 GPRESSAVG: 4458000 6.66031 -4.13575 -52.7021 -0.685029 26.3811 -36.2275 -45.8801 -34.1328 -23.2756 TIMING: 4458000 CPU: 13240.3, 0.00294135/step Wall: 13240.3, 0.00294135/step, 0.442837 hours remaining, 210.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4458000 739.5141 2101.7155 1960.8772 106.4103 -205638.9904 17648.4251 0.0000 0.0000 34654.0684 -148427.9799 302.6426 -183082.0483 -148329.6577 300.9333 -7.1094 26.8781 557136.9773 3.2196 3.2553 PRESSURE: 4458200 20.6239 -141.309 -39.5458 -141.31 -147.422 41.7226 -39.5468 41.7224 83.4282 GPRESSURE: 4458200 -8.81914 -115.53 -65.9962 -117.799 -39.0262 -1.78116 2.97494 -20.5397 104.307 PRESSAVG: 4458200 -51.3164 -41.9607 -2.48933 -41.9606 -24.2475 -38.3129 -2.48945 -38.3128 65.354 GPRESSAVG: 4458200 -49.6676 -42.0141 -0.628341 -41.0023 -24.4721 -38.7288 -7.10376 -37.2544 64.141 TIMING: 4458200 CPU: 13240.8, 0.00293475/step Wall: 13240.8, 0.00293475/step, 0.441679 hours remaining, 210.468750 MB of memory in use. ENERGY: 4458200 756.8008 2107.3109 1950.2705 116.2947 -205652.0665 17807.5914 0.0000 0.0000 34385.1130 -148528.6851 300.2937 -182913.7981 -148426.7910 301.3476 -14.4566 18.8205 558602.2545 -3.4033 -3.3329 PRESSURE: 4458400 -47.4415 -88.4862 -47.7271 -88.4852 -104.114 83.8076 -47.726 83.8067 0.101007 GPRESSURE: 4458400 0.675727 -131.839 -55.5695 -150.241 -71.485 32.8759 -76.9455 74.1962 10.467 PRESSAVG: 4458400 -53.6784 -39.8363 -24.0837 -39.8364 41.6333 17.2121 -24.0836 17.2119 -4.68934 GPRESSAVG: 4458400 -53.2673 -37.1125 -21.5301 -42.0297 41.8406 15.148 -25.1196 19.4401 -5.06027 TIMING: 4458400 CPU: 13241.4, 0.00293538/step Wall: 13241.4, 0.00293538/step, 0.441612 hours remaining, 210.468750 MB of memory in use. ENERGY: 4458400 754.6491 2103.6798 1944.7903 117.5930 -205826.3781 17696.7909 0.0000 0.0000 34341.8054 -148867.0695 299.9155 -183208.8750 -148773.0414 300.4582 -50.4848 -20.1141 558234.0872 -5.5781 -5.4957 PRESSURE: 4458600 -265.616 193.899 -74.8343 193.898 -164.945 13.5094 -74.8348 13.5097 -99.827 GPRESSURE: 4458600 -195.273 169.295 -74.7921 247.806 -136.971 116.282 -86.3719 -145.337 -111.543 PRESSAVG: 4458600 -7.9282 3.00559 -57.7256 3.00566 45.1565 -10.5442 -57.7256 -10.5442 -4.93465 GPRESSAVG: 4458600 -9.84099 1.35131 -59.4402 4.86047 45.3676 -8.96833 -55.6446 -12.2228 -3.25942 TIMING: 4458600 CPU: 13242, 0.00296073/step Wall: 13242, 0.00296073/step, 0.445261 hours remaining, 210.468750 MB of memory in use. ENERGY: 4458600 803.5579 2136.3143 1946.5318 103.1187 -205678.7119 17577.7010 0.0000 0.0000 34538.5472 -148572.9412 301.6337 -183111.4883 -148473.4169 301.2007 -176.7960 -147.9289 559907.4005 10.7646 10.7557 PRESSURE: 4458800 -40.9566 70.0623 -115.947 70.0622 53.654 11.3136 -115.948 11.3133 -175.644 GPRESSURE: 4458800 -41.2612 142.785 -53.6616 28.4973 138.68 29.8549 -153.681 -15.9411 -165.061 PRESSAVG: 4458800 -17.6471 -0.828129 9.24135 -0.82806 -20.6503 -44.25 9.24143 -44.25 19.6982 GPRESSAVG: 4458800 -17.8208 0.383175 9.67669 -1.08881 -20.1678 -45.5681 8.85259 -43.8818 19.5731 TIMING: 4458800 CPU: 13242.6, 0.00296126/step Wall: 13242.6, 0.00296126/step, 0.445177 hours remaining, 210.468750 MB of memory in use. ENERGY: 4458800 717.4491 2078.1732 1952.1280 118.4023 -205798.9266 17799.9692 0.0000 0.0000 34545.8526 -148586.9522 301.6975 -183132.8048 -148493.1542 302.0072 -54.3155 -22.5473 559785.7365 -6.1997 -6.1385 PRESSURE: 4459000 54.9287 3.42024 66.0778 3.421 77.6944 -30.9515 66.0791 -30.951 -67.7382 GPRESSURE: 4459000 145.457 -13.2739 90.5432 -99.8288 96.5756 -3.61141 19.7791 -48.8041 -88.8934 PRESSAVG: 4459000 -13.8108 2.94316 5.62666 2.94318 48.8583 20.5569 5.62677 20.5569 3.15257 GPRESSAVG: 4459000 -12.803 1.61215 6.26379 2.12129 48.5394 21.2488 4.49878 18.6759 2.26188 TIMING: 4459000 CPU: 13243.2, 0.00299515/step Wall: 13243.2, 0.00299515/step, 0.450104 hours remaining, 210.468750 MB of memory in use. ENERGY: 4459000 766.0514 2086.8207 1943.4682 116.0645 -205986.9656 17830.9096 0.0000 0.0000 34627.7113 -148615.9399 302.4124 -183243.6511 -148519.7138 301.7995 21.6283 51.0465 558662.8100 12.7334 12.6661 PRESSURE: 4459200 233.052 207.744 82.9836 207.745 -187.261 -9.94038 82.9844 -9.94126 105.099 GPRESSURE: 4459200 217.637 156.381 78.1775 227.327 -136.355 9.26441 96.1501 -18.6876 154.831 PRESSAVG: 4459200 -35.236 -29.6379 -8.93677 -29.6379 -0.189524 -16.3669 -8.93669 -16.3669 -14.9021 GPRESSAVG: 4459200 -35.4409 -29.4938 -10.101 -29.9273 -0.297013 -14.3563 -6.44102 -16.4527 -15.0802 TIMING: 4459200 CPU: 13243.8, 0.00295857/step Wall: 13243.8, 0.00295857/step, 0.444443 hours remaining, 210.468750 MB of memory in use. ENERGY: 4459200 738.4741 2055.9114 1944.6960 103.3276 -205909.0013 17849.8236 0.0000 0.0000 34568.5782 -148648.1903 301.8960 -183216.7686 -148550.9819 301.4580 50.2966 78.7043 558864.4366 -16.7759 -16.9394 PRESSURE: 4459400 -11.933 49.2946 162.932 49.2942 -0.248055 73.9212 162.933 73.921 -20.7833 GPRESSURE: 4459400 15.2824 57.057 58.2276 -3.76462 19.0688 -21.066 128.12 129.882 36.0851 PRESSAVG: 4459400 38.6866 19.8144 -20.7116 19.8145 -64.6363 12.2108 -20.7116 12.2109 47.1801 GPRESSAVG: 4459400 38.5925 20.9021 -21.0907 20.7679 -65.9623 10.6537 -21.8386 14.0448 48.0052 TIMING: 4459400 CPU: 13244.4, 0.00294936/step Wall: 13244.4, 0.00294936/step, 0.442896 hours remaining, 210.468750 MB of memory in use. ENERGY: 4459400 753.5779 2043.4707 1951.6872 111.8332 -205704.7729 17718.2434 0.0000 0.0000 34330.2690 -148795.6914 299.8148 -183125.9604 -148694.9432 300.6161 -10.9881 23.4788 557969.1375 7.0768 6.8785 PRESSURE: 4459600 100.78 132.602 -82.8913 132.601 -110.63 19.3557 -82.892 19.3556 135.774 GPRESSURE: 4459600 138.329 78.9053 -119.377 148.356 -104.435 73.6245 -14.7681 27.0726 183.561 PRESSAVG: 4459600 9.03852 0.311597 49.8296 0.311641 -71.6106 24.3318 49.8297 24.3317 22.2396 GPRESSAVG: 4459600 9.0491 -0.395243 50.2589 -0.990868 -71.2049 24.1029 49.5204 22.99 21.9726 TIMING: 4459600 CPU: 13245, 0.00293847/step Wall: 13245, 0.00293847/step, 0.441096 hours remaining, 210.468750 MB of memory in use. ENERGY: 4459600 705.6627 2085.8038 1922.9782 104.8695 -205373.6014 17576.1220 0.0000 0.0000 34174.2619 -148803.9033 298.4523 -182978.1652 -148713.8001 299.9569 41.9745 72.4852 558608.0011 -13.4442 -13.3944 PRESSURE: 4459800 -263.416 105.21 235.904 105.209 -129.407 -4.79224 235.903 -4.79126 -20.1871 GPRESSURE: 4459800 -222.179 113.91 202.938 115.291 -89.0005 68.0499 81.4391 -88.0537 -7.53142 PRESSAVG: 4459800 -0.38294 26.236 23.21 26.236 -0.360393 -23.0426 23.2099 -23.0426 -6.06165 GPRESSAVG: 4459800 0.250048 28.3001 23.1632 26.2431 -1.13077 -21.0485 22.6652 -23.6504 -5.50641 TIMING: 4459800 CPU: 13245.6, 0.00294115/step Wall: 13245.6, 0.00294115/step, 0.441336 hours remaining, 210.468750 MB of memory in use. ENERGY: 4459800 722.4992 2085.3714 1943.2672 112.0860 -205344.4367 17403.4709 0.0000 0.0000 34274.4519 -148803.2900 299.3273 -183077.7420 -148706.7755 299.7081 -137.6701 -106.2371 557625.8404 -2.2683 -2.1290 PRESSURE: 4460000 -348.236 75.9936 -103.7 75.9935 216.949 111.418 -103.702 111.42 -275.882 GPRESSURE: 4460000 -329.75 -11.0212 -56.3164 96.9066 227.489 218.228 -78.0059 114.064 -199.514 PRESSAVG: 4460000 -76.7283 29.2208 26.5265 29.2209 66.6803 16.7281 26.5265 16.728 1.26729 GPRESSAVG: 4460000 -78.1945 28.542 26.0006 28.0928 68.7807 17.7117 27.664 16.3736 0.891091 TIMING: 4460000 CPU: 13246.2, 0.0029453/step Wall: 13246.2, 0.0029453/step, 0.441794 hours remaining, 210.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4460000 710.4587 2036.0050 1905.6697 117.9736 -205429.0156 17407.4101 0.0000 0.0000 34247.3106 -149004.1880 299.0903 -183251.4986 -148912.7030 299.5714 -135.7229 -100.5916 558383.3018 -2.9269 -2.8409 PRESSURE: 4460200 3.79981 45.688 119.66 45.6885 61.0271 106.023 119.66 106.022 68.1338 GPRESSURE: 4460200 56.3073 46.2124 62.0679 55.9316 111.434 13.5139 182.831 197.169 58.4865 PRESSAVG: 4460200 -2.5185 -5.80744 6.20649 -5.80747 97.8015 4.01071 6.2065 4.01073 -74.5344 GPRESSAVG: 4460200 -2.6142 -7.11357 4.83079 -4.73474 97.2388 3.84273 5.39077 5.65264 -74.3111 TIMING: 4460200 CPU: 13246.8, 0.00292059/step Wall: 13246.8, 0.00292059/step, 0.437926 hours remaining, 210.468750 MB of memory in use. ENERGY: 4460200 720.8769 2055.9742 1937.3753 109.1701 -205983.5343 17929.9635 0.0000 0.0000 34327.5950 -148902.5793 299.7914 -183230.1743 -148807.5854 299.4796 44.3202 75.4093 558375.3617 6.9162 6.7712 LDB: ============= START OF LOAD BALANCING ============== 13250.3 LDB: ============== END OF LOAD BALANCING =============== 13250.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13250.3 LDB: ============= START OF LOAD BALANCING ============== 13250.6 LDB: Largest compute 4772 load 0.020927 is 17.7% of average load 0.118157 LDB: Average compute 0.001739 is 1.5% of average load 0.118157 LDB: TIME 13250.6 LOAD: AVG 0.118157 MAX 0.195942 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.898 MB LDB: TIME 13250.6 LOAD: AVG 0.118157 MAX 0.195942 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.898 MB LDB: TIME 13250.6 LOAD: AVG 0.118157 MAX 0.195942 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.898 MB LDB: ============== END OF LOAD BALANCING =============== 13250.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13250.6 PRESSURE: 4460400 34.2439 19.3821 -133.318 19.3817 65.1724 141.876 -133.318 141.876 193.206 GPRESSURE: 4460400 104.421 2.17523 -115.084 4.94181 79.946 169.882 -161.03 70.1664 201.985 PRESSAVG: 4460400 44.0055 52.6161 -5.08944 52.6162 -10.911 26.357 -5.08951 26.357 -11.9169 GPRESSAVG: 4460400 43.9969 50.9739 -3.54548 52.3449 -10.8002 25.22 -4.5404 25.476 -11.575 TIMING: 4460400 CPU: 13247.3, 0.00296009/step Wall: 13247.3, 0.00296009/step, 0.443684 hours remaining, 209.062500 MB of memory in use. ENERGY: 4460400 759.3495 2074.8059 1914.5917 100.5484 -206224.5070 18076.0125 0.0000 0.0000 34348.1325 -148951.0664 299.9708 -183299.1989 -148857.0936 299.7992 97.5408 128.7840 558011.7705 7.0592 7.2072 PRESSURE: 4460600 -263.157 75.0819 125.642 75.0822 124.917 26.8883 125.642 26.8869 -7.45211 GPRESSURE: 4460600 -264.601 -63.9964 138.905 99.6333 167.129 -54.7987 80.1384 106.964 46.6237 PRESSAVG: 4460600 45.3219 29.6011 -49.4186 29.601 -24.8212 53.9731 -49.4186 53.9731 -6.50306 GPRESSAVG: 4460600 46.2586 33.4539 -50.5107 30.756 -25.728 54.0237 -51.2503 55.4552 -6.74134 TIMING: 4460600 CPU: 13247.9, 0.00294842/step Wall: 13247.9, 0.00294842/step, 0.441772 hours remaining, 209.265625 MB of memory in use. ENERGY: 4460600 744.5992 1994.1097 1932.7924 106.4655 -206242.3828 17808.2013 0.0000 0.0000 34538.9638 -149117.2510 301.6374 -183656.2148 -149026.9966 300.2351 -48.5641 -16.9495 558519.2791 4.6659 4.5964 PRESSURE: 4460800 33.9374 94.5589 5.57058 94.56 121.407 -177.78 5.57099 -177.781 -57.0939 GPRESSURE: 4460800 96.9928 86.9233 -9.45324 90.4683 114.516 -147.966 9.25961 -199.366 -7.56822 PRESSAVG: 4460800 -8.22207 -22.843 26.2977 -22.8431 56.0059 16.9555 26.2977 16.9555 -57.8051 GPRESSAVG: 4460800 -9.4699 -23.9003 28.1708 -23.2308 57.3115 15.8114 25.8111 17.364 -57.432 TIMING: 4460800 CPU: 13248.5, 0.00291903/step Wall: 13248.5, 0.00291903/step, 0.437205 hours remaining, 209.265625 MB of memory in use. ENERGY: 4460800 738.2266 2064.8881 1919.3161 118.7829 -206232.6734 17897.2591 0.0000 0.0000 34304.1049 -149190.0957 299.5863 -183494.2006 -149097.9544 299.8040 32.7503 67.9801 557602.8812 -3.3404 -3.1968 PRESSURE: 4461000 -54.962 -72.5826 -132.367 -72.5827 113.365 106.694 -132.367 106.695 -10.2291 GPRESSURE: 4461000 -36.879 -149.316 -112.9 -131.991 138.376 68.9333 -120.133 86.2856 47.5657 PRESSAVG: 4461000 51.3644 14.6954 3.55562 14.6955 -2.44091 -42.4766 3.5556 -42.4767 -44.3588 GPRESSAVG: 4461000 53.2567 13.5406 3.68266 15.9068 -3.58907 -41.8836 2.95662 -42.145 -45.3207 TIMING: 4461000 CPU: 13249.1, 0.00293787/step Wall: 13249.1, 0.00293787/step, 0.439865 hours remaining, 209.265625 MB of memory in use. ENERGY: 4461000 742.2824 2057.6806 1928.0468 114.2033 -206158.0309 17919.6666 0.0000 0.0000 34007.1729 -149388.9784 296.9931 -183396.1512 -149305.2020 298.9019 16.0578 49.6877 559411.5908 1.5216 1.4490 PRESSURE: 4461200 -76.925 38.1515 16.6948 38.1517 37.9115 26.3766 16.6953 26.3767 -348.663 GPRESSURE: 4461200 -88.5985 3.80085 -23.1896 45.1327 75.5349 9.0403 -15.6498 22.8282 -283.543 PRESSAVG: 4461200 -6.67646 9.77088 60.8611 9.77087 -18.9604 43.5619 60.8611 43.5618 -11.7 GPRESSAVG: 4461200 -7.79579 11.933 57.1939 9.99727 -18.0436 44.4113 63.1901 42.8652 -11.072 TIMING: 4461200 CPU: 13249.7, 0.00294954/step Wall: 13249.7, 0.00294954/step, 0.441448 hours remaining, 209.265625 MB of memory in use. ENERGY: 4461200 716.3312 2067.5976 1937.6433 109.4555 -205769.1298 17349.1491 0.0000 0.0000 34236.6949 -149352.2581 298.9976 -183588.9530 -149259.5686 298.1031 -129.2257 -98.8687 559049.9761 -12.4456 -12.3038 PRESSURE: 4461400 188.61 60.8843 1.64148 60.8844 244.266 -15.3688 1.6408 -15.3688 129.121 GPRESSURE: 4461400 239.723 96.442 -2.27396 5.09784 252.304 -17.3056 2.59638 -5.56545 166.854 PRESSAVG: 4461400 23.1436 53.5452 10.3872 53.5453 -51.3641 -13.9585 10.3873 -13.9585 51.1259 GPRESSAVG: 4461400 23.5448 51.5547 12.3376 51.7205 -52.1196 -15.6478 10.5706 -14.7743 50.5832 TIMING: 4461400 CPU: 13250.3, 0.00295075/step Wall: 13250.3, 0.00295075/step, 0.441465 hours remaining, 209.265625 MB of memory in use. ENERGY: 4461400 734.7877 2089.4101 1962.4671 119.1304 -206562.2782 18081.8191 0.0000 0.0000 34332.4437 -149242.2201 299.8338 -183574.6638 -149152.1043 299.3271 187.3323 219.6268 557897.8549 7.6352 7.3361 PRESSURE: 4461600 -63.7862 79.6429 247.609 79.6426 -51.6174 90.5872 247.609 90.5858 -146.132 GPRESSURE: 4461600 -77.7371 88.5898 201.907 59.6656 -15.7263 62.3395 291.191 102.987 -70.2989 PRESSAVG: 4461600 10.1832 34.4015 11.1873 34.4015 -66.8153 14.4327 11.1874 14.4326 81.9632 GPRESSAVG: 4461600 9.31614 34.1722 11.667 34.3743 -66.1693 12.9943 10.4292 15.9772 82.1736 TIMING: 4461600 CPU: 13250.9, 0.00294969/step Wall: 13250.9, 0.00294969/step, 0.441143 hours remaining, 209.265625 MB of memory in use. ENERGY: 4461600 757.2389 2030.3850 1949.6316 136.0790 -205978.9005 17716.2673 0.0000 0.0000 34404.1559 -148985.1427 300.4601 -183389.2986 -148882.8617 299.7077 -87.1785 -54.5875 559271.7113 8.4437 8.4401 PRESSURE: 4461800 225.639 -46.8252 45.3541 -46.8243 32.7917 -122.103 45.3552 -122.104 -281.335 GPRESSURE: 4461800 288.599 -83.0864 -8.82718 -91.4157 63.2053 -126.756 36.8007 -132.006 -283.803 PRESSAVG: 4461800 12.1805 32.7892 15.6088 32.7892 20.2731 -42.8252 15.6088 -42.8252 -25.052 GPRESSAVG: 4461800 12.0967 33.0479 16.8913 33.3329 19.5979 -42.6912 15.296 -42.6532 -23.8915 TIMING: 4461800 CPU: 13251.5, 0.00297377/step Wall: 13251.5, 0.00297377/step, 0.444579 hours remaining, 209.265625 MB of memory in use. ENERGY: 4461800 781.9264 2016.3922 1916.6199 117.5619 -206142.4915 17715.0201 0.0000 0.0000 34304.8667 -149290.1043 299.5929 -183594.9710 -149191.0309 299.4542 -7.6348 22.6670 556000.4373 2.4672 2.6010 PRESSURE: 4462000 -161.344 84.7474 -147.788 84.7468 325.992 151.561 -147.789 151.56 201.068 GPRESSURE: 4462000 -124.882 46.2437 -155.311 29.5438 345.802 166.836 -74.9985 190.259 243.932 PRESSAVG: 4462000 -2.36084 13.1328 15.0479 13.1328 12.9938 2.04131 15.0479 2.04139 -15.819 GPRESSAVG: 4462000 -2.28839 12.0121 14.3137 14.3439 13.8459 4.37582 15.2217 0.49988 -16.5878 TIMING: 4462000 CPU: 13252.1, 0.00293471/step Wall: 13252.1, 0.00293471/step, 0.438576 hours remaining, 209.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4462000 759.7039 2030.0271 1949.0187 124.8542 -206360.8261 17886.4437 0.0000 0.0000 34241.9488 -149368.8298 299.0435 -183610.7785 -149269.7199 299.4575 121.9055 154.9507 554978.6039 -1.7287 -1.6768 PRESSURE: 4462200 -124.958 -12.9611 193.029 -12.961 177.236 -82.2908 193.03 -82.2924 -30.0487 GPRESSURE: 4462200 -7.38096 32.8703 157.866 7.422 206.616 -50.7622 130.008 -10.113 -81.7637 PRESSAVG: 4462200 22.5298 -9.96305 -44.5656 -9.96296 14.6854 17.0439 -44.5657 17.0438 -10.5109 GPRESSAVG: 4462200 22.4717 -9.1283 -43.4103 -10.0989 13.8381 17.3806 -43.3083 16.1421 -9.47982 TIMING: 4462200 CPU: 13252.6, 0.00293452/step Wall: 13252.6, 0.00293452/step, 0.438385 hours remaining, 209.265625 MB of memory in use. ENERGY: 4462200 764.7537 2039.0232 1908.7843 110.1542 -206443.1130 17778.8917 0.0000 0.0000 34327.0598 -149514.4461 299.7868 -183841.5059 -149414.5189 299.1787 7.4100 39.1570 555517.4569 8.9014 8.9434 PRESSURE: 4462400 -13.883 108.098 9.90955 108.096 17.9028 48.2602 9.90958 48.2604 -98.6575 GPRESSURE: 4462400 -21.4027 118.898 -101.995 54.9433 97.7378 51.5904 109.492 56.6129 -71.4609 PRESSAVG: 4462400 -1.11875 30.5572 -21.4696 30.5571 29.0761 15.509 -21.4697 15.509 10.0995 GPRESSAVG: 4462400 0.146219 31.0315 -24.048 32.8121 29.4685 13.3744 -20.1699 16.85 8.85285 TIMING: 4462400 CPU: 13253.2, 0.00295132/step Wall: 13253.2, 0.00295133/step, 0.440731 hours remaining, 209.265625 MB of memory in use. ENERGY: 4462400 735.8449 2058.4627 1937.5096 112.5910 -205997.9155 17646.1449 0.0000 0.0000 34064.4595 -149442.9029 297.4934 -183507.3623 -149349.3483 298.6233 -31.5459 1.6247 554792.4067 12.6856 12.8225 PRESSURE: 4462600 -38.3294 -121.207 40.3333 -121.206 -108.849 -37.3474 40.3349 -37.349 43.9652 GPRESSURE: 4462600 -5.53179 -53.3093 -17.2653 -151.985 -53.2351 -42.2856 12.2156 41.4417 37.3109 PRESSAVG: 4462600 -21.3822 38.8554 3.57417 38.8555 12.8524 -65.9452 3.57409 -65.9452 -12.8135 GPRESSAVG: 4462600 -21.8184 40.3536 6.17639 34.2969 13.0342 -67.6017 0.96938 -63.6883 -12.6364 TIMING: 4462600 CPU: 13253.8, 0.00296505/step Wall: 13253.8, 0.00296505/step, 0.442616 hours remaining, 209.265625 MB of memory in use. ENERGY: 4462600 728.2673 2030.4885 1926.1298 102.6888 -206170.9981 17679.8925 0.0000 0.0000 34272.8465 -149430.6846 299.3133 -183703.5311 -149346.6474 298.9369 -34.4043 -7.1520 554486.8050 -7.1144 -7.1402 PRESSURE: 4462800 -264.561 366.244 82.8687 366.244 -110.857 29.1261 82.8685 29.1269 -502.351 GPRESSURE: 4462800 -252.04 343.673 29.9439 388.634 -115.352 -17.9548 149.368 -26.7882 -423.179 PRESSAVG: 4462800 11.7254 32.4761 28.7603 32.4761 -4.991 2.34807 28.7602 2.34808 11.9109 GPRESSAVG: 4462800 12.5876 32.3437 27.1081 33.766 -5.82174 5.2349 29.8858 -0.798947 11.6524 TIMING: 4462800 CPU: 13254.4, 0.0029445/step Wall: 13254.4, 0.0029445/step, 0.439385 hours remaining, 209.265625 MB of memory in use. ENERGY: 4462800 815.5994 1983.6487 1939.1213 122.5478 -205860.3859 17458.2608 0.0000 0.0000 34024.5641 -149516.6438 297.1450 -183541.2079 -149425.3543 298.8266 -292.5896 -263.5236 556748.5345 6.2151 6.1394 PRESSURE: 4463000 169.646 6.50459 4.00676 6.5051 -245.337 2.25199 4.00793 2.25201 -60.7296 GPRESSURE: 4463000 160.867 56.5266 52.1069 -117.635 -153.458 -25.5712 -25.383 41.6035 -40.0444 PRESSAVG: 4463000 8.19022 40.9883 16.0233 40.9884 -0.23353 29.333 16.0233 29.333 -28.9545 GPRESSAVG: 4463000 6.89816 40.2636 16.4225 42.2651 -0.0439233 29.1037 15.9274 30.1963 -27.1053 TIMING: 4463000 CPU: 13255, 0.00294703/step Wall: 13255, 0.00294703/step, 0.439599 hours remaining, 209.265625 MB of memory in use. ENERGY: 4463000 762.0612 2029.7227 1953.9658 116.0737 -206271.6405 17814.7399 0.0000 0.0000 34203.0806 -149391.9965 298.7040 -183595.0771 -149297.2753 298.5663 -45.4736 -10.8785 556887.4229 -6.9993 -6.7503 PRESSURE: 4463200 -119.022 -95.7629 -145.175 -95.7615 -235.049 95.8074 -145.175 95.8083 -200.481 GPRESSURE: 4463200 -96.3515 -118.327 -124.036 -92.1118 -205.592 133.431 -121.205 54.0477 -148.648 PRESSAVG: 4463200 24.2486 -33.4226 18.5588 -33.4226 -20.359 0.103943 18.5588 0.103838 -27.5374 GPRESSAVG: 4463200 25.5818 -32.6286 19.1733 -33.7054 -21.3929 0.645051 18.313 -1.69138 -27.9339 TIMING: 4463200 CPU: 13255.6, 0.00294974/step Wall: 13255.6, 0.00294974/step, 0.439839 hours remaining, 209.265625 MB of memory in use. ENERGY: 4463200 749.9956 2117.4742 1918.0527 117.3727 -205805.9102 17507.5168 0.0000 0.0000 34142.1414 -149253.3567 298.1718 -183395.4982 -149154.5835 299.2747 -184.8505 -150.1973 558999.0977 -7.8826 -7.9150 PRESSURE: 4463400 -224.367 -31.1525 199.772 -31.1529 1.7174 4.68445 199.772 4.68494 -34.4582 GPRESSURE: 4463400 -213.344 4.10806 186.301 -80.9458 24.0616 0.407486 204.792 20.5622 22.6888 PRESSAVG: 4463400 58.606 -32.5949 3.70326 -32.5949 -5.40864 -17.9178 3.70329 -17.9178 -34.4222 GPRESSAVG: 4463400 58.6469 -33.0214 4.17647 -32.2843 -4.40447 -19.8828 2.68367 -15.9481 -35.9671 TIMING: 4463400 CPU: 13256.2, 0.00296259/step Wall: 13256.2, 0.00296259/step, 0.441591 hours remaining, 209.265625 MB of memory in use. ENERGY: 4463400 723.6377 2054.1088 1941.7698 105.5967 -205898.3523 17550.3958 0.0000 0.0000 34334.4842 -149188.3594 299.8516 -183522.8436 -149096.3351 299.3465 -85.7027 -55.5312 556335.5759 6.2584 6.0918 PRESSURE: 4463600 74.9728 73.2324 38.791 73.2323 30.6561 -71.0859 38.7905 -71.0839 -31.5147 GPRESSURE: 4463600 102.098 37.6979 -62.8884 134.432 51.0678 -50.4467 100.03 -63.2324 19.8158 PRESSAVG: 4463600 13.2323 -9.54376 -5.86899 -9.54383 10.4917 15.2398 -5.86908 15.2399 -26.1623 GPRESSAVG: 4463600 12.9104 -8.4597 -8.39413 -10.7983 10.2294 14.1318 -3.69428 14.6815 -25.6749 TIMING: 4463600 CPU: 13256.8, 0.00297429/step Wall: 13256.8, 0.00297429/step, 0.44317 hours remaining, 209.265625 MB of memory in use. ENERGY: 4463600 776.0349 2050.7513 1965.3966 123.5673 -206193.2691 17914.7089 0.0000 0.0000 34357.2464 -149005.5637 300.0504 -183362.8101 -148911.6706 299.7344 24.7047 57.6604 556729.8491 -0.8127 -0.8450 PRESSURE: 4463800 -524.17 -98.629 4.89383 -98.6288 27.373 -98.6229 4.8935 -98.6236 -400.814 GPRESSURE: 4463800 -480.464 -49.8257 -0.967828 -8.50449 12.5801 -54.4685 26.8176 -47.7131 -335.505 PRESSAVG: 4463800 -47.7017 28.5092 -9.74604 28.5092 34.4325 51.1725 -9.74606 51.1725 14.5295 GPRESSAVG: 4463800 -47.0923 27.9729 -10.5224 30.6026 33.5948 52.7548 -11.4828 50.7723 14.8278 TIMING: 4463800 CPU: 13257.4, 0.0029488/step Wall: 13257.4, 0.0029488/step, 0.439207 hours remaining, 209.265625 MB of memory in use. ENERGY: 4463800 773.6208 2114.9808 1970.8874 111.6708 -205547.8894 17334.9855 0.0000 0.0000 34258.6083 -148983.1357 299.1889 -183241.7440 -148889.3978 299.7777 -299.2034 -267.7963 557905.7186 0.4201 0.4434 PRESSURE: 4464000 -470.661 30.7955 -49.6325 30.7961 93.3684 -8.15457 -49.6321 -8.15562 -10.9525 GPRESSURE: 4464000 -386.878 11.9726 -115.528 -28.0342 153.721 -34.4419 2.45365 56.8294 -66.9406 PRESSAVG: 4464000 -28.4457 -22.842 -52.7006 -22.8421 51.2442 -7.33559 -52.7007 -7.33556 -10.6428 GPRESSAVG: 4464000 -29.0194 -23.3263 -49.6167 -25.4856 51.4953 -8.3175 -53.2398 -6.87997 -9.99918 TIMING: 4464000 CPU: 13258, 0.00296008/step Wall: 13258, 0.00296008/step, 0.440724 hours remaining, 209.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4464000 757.4936 2055.0624 1933.4506 113.8458 -205945.8743 17576.3288 0.0000 0.0000 34554.1252 -148955.5679 301.7698 -183509.6931 -148852.8080 300.3768 -129.4149 -100.0324 556930.7912 4.0519 4.1589 PRESSURE: 4464200 -123.953 -103.851 -73.9344 -103.852 113.321 -102.827 -73.9353 -102.827 82.4518 GPRESSURE: 4464200 -59.6384 -136.118 -22.6139 -120.865 107.421 -145.417 -81.6547 -53.1919 116.233 PRESSAVG: 4464200 -15.2867 -34.6628 -2.51027 -34.6628 -10.5635 -43.6206 -2.51026 -43.6206 27.2769 GPRESSAVG: 4464200 -15.748 -32.9479 -4.16683 -35.3914 -10.8626 -41.8075 -0.737444 -43.413 27.926 TIMING: 4464200 CPU: 13258.6, 0.00295135/step Wall: 13258.6, 0.00295135/step, 0.439259 hours remaining, 209.265625 MB of memory in use. ENERGY: 4464200 722.3350 2075.3693 1947.0717 106.2661 -206219.2678 17839.5227 0.0000 0.0000 34466.7798 -149061.9233 301.0070 -183528.7031 -148963.3115 300.5368 23.9400 54.6717 557445.3781 0.4756 0.4384 LDB: ============= START OF LOAD BALANCING ============== 13262.1 LDB: ============== END OF LOAD BALANCING =============== 13262.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13262.1 LDB: ============= START OF LOAD BALANCING ============== 13262.4 LDB: Largest compute 4772 load 0.020248 is 17.1% of average load 0.118333 LDB: Average compute 0.001729 is 1.5% of average load 0.118333 LDB: TIME 13262.4 LOAD: AVG 0.118333 MAX 0.197478 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.09 MB LDB: TIME 13262.4 LOAD: AVG 0.118333 MAX 0.197478 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.09 MB LDB: TIME 13262.4 LOAD: AVG 0.118333 MAX 0.197478 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.09 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13262.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13262.4 PRESSURE: 4464400 209.965 67.4743 -21.1265 67.4746 92.3411 -66.0533 -21.1266 -66.0524 235.602 GPRESSURE: 4464400 220.483 132.742 -73.4758 60.4919 161.815 -31.9533 -16.4161 -66.4712 245.978 PRESSAVG: 4464400 2.39766 -51.3873 37.0982 -51.3873 34.8956 -37.4135 37.098 -37.4135 -79.9193 GPRESSAVG: 4464400 1.92157 -52.4874 38.3905 -51.9206 35.3519 -38.3652 36.4806 -36.0537 -79.7926 TIMING: 4464400 CPU: 13259.2, 0.00300122/step Wall: 13259.2, 0.00300122/step, 0.446514 hours remaining, 207.898438 MB of memory in use. ENERGY: 4464400 739.9332 2061.7003 1947.0470 106.9787 -206385.5136 18118.6908 0.0000 0.0000 34320.3487 -149090.8149 299.7281 -183411.1636 -148985.1064 299.9606 179.3027 209.4255 557775.3277 -14.2087 -14.1731 PRESSURE: 4464600 178.47 27.836 29.2711 27.8367 -61.4569 -0.317906 29.2707 -0.317991 73.6777 GPRESSURE: 4464600 154.881 -50.8714 -4.52432 -13.6078 -2.10575 -42.8615 39.6401 36.1865 140.467 PRESSAVG: 4464600 65.1895 30.8658 20.9603 30.8658 -18.4792 -71.6376 20.9603 -71.6376 -15.1261 GPRESSAVG: 4464600 64.6089 29.7665 22.8451 34.3211 -17.9856 -73.5699 19.1576 -73.0899 -14.9927 TIMING: 4464600 CPU: 13259.7, 0.00294701/step Wall: 13259.7, 0.00294701/step, 0.438285 hours remaining, 207.898438 MB of memory in use. ENERGY: 4464600 684.1520 2103.8462 1967.9154 116.4117 -206146.4794 17775.7998 0.0000 0.0000 34400.1663 -149098.1880 300.4252 -183498.3543 -148997.8951 299.3271 63.5636 97.7474 556281.9362 10.5280 10.5436 PRESSURE: 4464800 -6.63239 -155.581 0.585558 -155.582 -62.6717 72.2277 0.586572 72.2271 13.5616 GPRESSURE: 4464800 47.554 -135.054 48.208 -85.0119 5.48823 147.344 71.7054 44.802 -12.3193 PRESSAVG: 4464800 56.4325 -17.2625 11.7482 -17.2625 -77.0326 19.7432 11.7481 19.7432 20.9236 GPRESSAVG: 4464800 57.8193 -16.7148 8.65166 -17.0275 -78.4637 23.3849 13.91 19.1785 20.1104 TIMING: 4464800 CPU: 13260.3, 0.00292378/step Wall: 13260.3, 0.00292378/step, 0.434668 hours remaining, 207.898438 MB of memory in use. ENERGY: 4464800 752.0185 2105.2764 1945.7215 116.3405 -205933.8842 17670.6831 0.0000 0.0000 34050.2460 -149293.5983 297.3693 -183343.8443 -149197.2108 299.5148 -18.5808 13.5743 557351.2403 0.1078 -0.1780 PRESSURE: 4465000 -95.3866 172.246 38.9855 172.247 34.7704 -131.049 38.9857 -131.05 156.203 GPRESSURE: 4465000 -70.7502 151.921 129.553 168.174 71.4576 -107.461 48.8479 -100.366 185.345 PRESSAVG: 4465000 -24.5152 11.4592 18.9451 11.4592 30.3622 -28.5304 18.9452 -28.5304 -49.629 GPRESSAVG: 4465000 -26.218 10.3016 20.3138 10.7503 31.0027 -29.6531 19.9102 -28.6797 -48.3018 TIMING: 4465000 CPU: 13260.9, 0.00292672/step Wall: 13260.9, 0.00292672/step, 0.434943 hours remaining, 207.898438 MB of memory in use. ENERGY: 4465000 751.9967 2131.2124 1949.3031 119.9433 -206191.8740 17867.7726 0.0000 0.0000 34183.1741 -149188.4718 298.5302 -183371.6459 -149093.3141 299.5253 31.8621 62.0176 557182.1123 -14.5940 -14.5057 PRESSURE: 4465200 2.78226 -29.0201 61.1396 -29.0194 32.9281 -15.3129 61.1392 -15.314 119.777 GPRESSURE: 4465200 21.9565 -32.3179 32.9756 -12.2566 131.592 12.7399 81.4972 -22.6603 100.357 PRESSAVG: 4465200 -42.5318 10.7688 -45.5322 10.7688 4.34519 -16.8087 -45.5321 -16.8088 12.0555 GPRESSAVG: 4465200 -41.6441 10.5258 -44.4288 9.91565 4.04288 -17.5169 -47.4315 -16.2035 11.4113 TIMING: 4465200 CPU: 13261.5, 0.00294808/step Wall: 13261.5, 0.00294808/step, 0.437953 hours remaining, 207.898438 MB of memory in use. ENERGY: 4465200 696.8122 2098.1366 1943.7051 114.8779 -205955.1428 17857.2560 0.0000 0.0000 34171.6925 -149072.6625 298.4299 -183244.3550 -148982.2168 300.4467 51.8290 84.6352 557160.1321 -8.7104 -8.7300 PRESSURE: 4465400 79.491 42.4365 30.8875 42.4362 -92.0475 56.6902 30.8857 56.6913 228.653 GPRESSURE: 4465400 100.529 41.7001 90.6767 52.26 -39.2328 104.463 -21.5449 -48.4386 241.958 PRESSAVG: 4465400 -66.4874 -4.23384 -23.8995 -4.23385 4.80339 9.0784 -23.8994 9.07835 18.2236 GPRESSAVG: 4465400 -66.6284 -4.05004 -25.3394 -4.70762 5.30393 7.73027 -25.2894 8.31873 17.8939 TIMING: 4465400 CPU: 13262.1, 0.00296616/step Wall: 13262.1, 0.00296616/step, 0.440474 hours remaining, 207.898438 MB of memory in use. ENERGY: 4465400 772.3400 2141.1117 1921.1478 110.4746 -206037.0497 17875.3972 0.0000 0.0000 34201.2990 -149015.2793 298.6885 -183216.5783 -148930.3950 300.8886 72.0320 101.0849 556075.1009 -14.4868 -14.4769 PRESSURE: 4465600 -158.729 146.695 158.303 146.694 -109.891 8.19657 158.304 8.19599 -143.955 GPRESSURE: 4465600 -104.329 175.258 139.446 63.1946 -96.5565 42.2647 163.257 28.3178 -105.675 PRESSAVG: 4465600 -6.0277 44.67 -16.1626 44.67 101.242 -6.33075 -16.1626 -6.33073 -48.4383 GPRESSAVG: 4465600 -7.62373 45.0551 -16.7323 42.4949 101.682 -3.96849 -14.3069 -5.35974 -47.4519 TIMING: 4465600 CPU: 13262.7, 0.0029544/step Wall: 13262.7, 0.0029544/step, 0.438565 hours remaining, 207.898438 MB of memory in use. ENERGY: 4465600 774.5038 2072.4577 1940.1310 128.8408 -205951.3496 17532.6208 0.0000 0.0000 34474.0839 -149028.7116 301.0707 -183502.7955 -148932.0601 301.0320 -137.5248 -102.1868 556573.0111 15.5920 15.5356 PRESSURE: 4465800 1.42459 159.058 200.386 159.06 -84.0282 106.793 200.385 106.792 39.4486 GPRESSURE: 4465800 -27.0954 166.65 101.083 86.9304 -45.6215 129.955 221.558 114.486 125.793 PRESSAVG: 4465800 -23.9778 -24.844 43.9548 -24.844 9.03346 28.2397 43.9547 28.2397 14.6176 GPRESSAVG: 4465800 -22.4826 -24.0033 44.5096 -25.2632 8.52049 27.8956 44.2415 27.2412 13.7491 TIMING: 4465800 CPU: 13263.3, 0.00296691/step Wall: 13263.3, 0.00296691/step, 0.440256 hours remaining, 207.898438 MB of memory in use. ENERGY: 4465800 727.9875 2173.6104 1934.5234 119.6335 -205685.7526 17654.2407 0.0000 0.0000 34058.7762 -149016.9808 297.4438 -183075.7570 -148920.6693 299.8721 -14.3850 17.6919 557554.8709 -0.1089 -0.0710 PRESSURE: 4466000 -225.471 59.0008 -76.4423 59.0016 -154.011 -37.8779 -76.4423 -37.8788 127.081 GPRESSURE: 4466000 -210.419 149.637 -8.86572 -31.4182 -100.491 -72.7321 -60.559 2.66588 154.855 PRESSAVG: 4466000 -37.4844 -16.4653 14.9731 -16.4653 -18.3479 -59.2698 14.973 -59.2699 62.1667 GPRESSAVG: 4466000 -36.7976 -17.8795 16.2982 -12.9437 -18.9709 -59.3901 15.8856 -58.1043 62.1048 TIMING: 4466000 CPU: 13263.9, 0.00295399/step Wall: 13263.9, 0.00295399/step, 0.438174 hours remaining, 207.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4466000 705.1017 2070.5684 1921.6674 111.2892 -205884.6368 17659.0737 0.0000 0.0000 34383.3062 -149033.6302 300.2780 -183416.9364 -148941.4061 299.6426 -84.1339 -52.0184 558543.3944 2.1115 2.1121 PRESSURE: 4466200 -114.638 -96.9725 -114.722 -96.9716 112.474 40.0825 -114.721 40.0833 128.647 GPRESSURE: 4466200 -111.124 -66.2093 -75.914 -32.9662 146.411 56.0206 -189.386 58.8884 174.065 PRESSAVG: 4466200 -1.51283 -36.3217 -24.2025 -36.3217 22.7585 36.6252 -24.2027 36.6253 23.0001 GPRESSAVG: 4466200 -2.52403 -35.6209 -24.649 -40.5373 23.1746 35.7253 -26.6389 36.0062 23.1547 TIMING: 4466200 CPU: 13264.5, 0.00294044/step Wall: 13264.5, 0.00294044/step, 0.436002 hours remaining, 207.898438 MB of memory in use. ENERGY: 4466200 720.5177 2072.8282 1934.6943 102.5512 -205790.2297 17694.9328 0.0000 0.0000 34291.9897 -148972.7158 299.4805 -183264.7055 -148876.2245 299.6564 42.1611 69.7843 556221.7304 14.7486 14.6018 PRESSURE: 4466400 256.511 -75.4829 94.085 -75.4827 -2.578 78.29 94.0852 78.2887 266.233 GPRESSURE: 4466400 310.877 -44.955 175.998 -110.852 85.497 81.805 108.186 81.0332 210.547 PRESSAVG: 4466400 -49.9834 -1.71443 -52.5213 -1.71441 -5.94181 -32.2435 -52.5214 -32.2434 -8.78651 GPRESSAVG: 4466400 -50.8286 -0.702213 -55.0356 1.12203 -3.9934 -31.429 -49.0875 -31.7293 -9.87859 TIMING: 4466400 CPU: 13265, 0.00292978/step Wall: 13265, 0.00292978/step, 0.434258 hours remaining, 207.898438 MB of memory in use. ENERGY: 4466400 768.1218 2086.5163 1940.6497 125.7410 -206304.3700 18008.7292 0.0000 0.0000 34364.3166 -149010.2954 300.1121 -183374.6120 -148917.8659 299.1438 173.3888 202.3072 555968.6346 -21.5706 -21.5669 PRESSURE: 4466600 -22.2335 178.159 -110.072 178.157 137.145 176.201 -110.072 176.202 -168.87 GPRESSURE: 4466600 -11.1429 137.482 -152.944 159.489 187.079 79.5435 -43.3972 192.817 -138.648 PRESSAVG: 4466600 34.8088 7.21643 -1.01949 7.21645 -64.9742 1.87853 -1.0195 1.87844 52.9662 GPRESSAVG: 4466600 35.7763 7.34656 0.605131 7.88557 -66.791 0.480558 -3.28567 2.1511 53.8202 TIMING: 4466600 CPU: 13265.6, 0.0029084/step Wall: 13265.6, 0.0029084/step, 0.430927 hours remaining, 207.898438 MB of memory in use. ENERGY: 4466600 749.5438 2122.8869 1938.4926 118.7879 -206098.3396 17753.6202 0.0000 0.0000 34179.0311 -149235.9772 298.4940 -183415.0083 -149137.5559 299.9495 -17.9861 12.4296 557509.6676 7.6003 7.6018 PRESSURE: 4466800 142.561 -19.6453 10.7647 -19.6459 184.424 -108.186 10.7647 -108.186 -72.1018 GPRESSURE: 4466800 132.496 -10.628 7.20965 -101.403 245.204 -148.923 -65.5698 -44.5768 -21.2219 PRESSAVG: 4466800 20.9774 -17.7247 -34.992 -17.7247 16.8458 17.3362 -34.9919 17.3362 -43.4682 GPRESSAVG: 4466800 20.8401 -19.012 -35.6661 -18.3512 16.9601 18.4001 -35.7293 17.0178 -44.182 TIMING: 4466800 CPU: 13266.2, 0.00293349/step Wall: 13266.2, 0.00293349/step, 0.434483 hours remaining, 207.898438 MB of memory in use. ENERGY: 4466800 732.2110 2128.7780 1957.9095 114.4269 -206159.8605 17770.8552 0.0000 0.0000 34243.7691 -149211.9108 299.0594 -183455.6799 -149126.7384 299.0627 84.9608 118.8257 556788.6475 -1.8817 -2.1272 PRESSURE: 4467000 128.038 -33.9213 182.753 -33.9214 66.3703 -120.876 182.753 -120.877 -167.297 GPRESSURE: 4467000 204.43 -87.9127 281.802 -38.1105 81.8576 -93.4659 192.548 -113.233 -175.65 PRESSAVG: 4467000 48.1913 -43.4488 -12.7206 -43.4488 18.7395 -64.3264 -12.7207 -64.3264 -49.4661 GPRESSAVG: 4467000 48.4309 -43.4808 -11.7501 -42.9043 19.0932 -65.0512 -11.6988 -63.4087 -49.9079 TIMING: 4467000 CPU: 13266.8, 0.00291974/step Wall: 13266.8, 0.00291974/step, 0.432284 hours remaining, 207.898438 MB of memory in use. ENERGY: 4467000 709.3147 2145.9176 1946.3699 103.4664 -206105.1964 17834.0961 0.0000 0.0000 34439.5071 -148926.5247 300.7688 -183366.0318 -148834.3644 300.0578 9.0372 36.8793 557106.4430 5.8216 5.8721 PRESSURE: 4467200 118.262 -45.6968 31.0327 -45.699 -179.519 130.428 31.0322 130.429 -233.879 GPRESSURE: 4467200 132.232 -28.5808 28.3506 -84.7861 -137.969 140.983 10.6611 67.2355 -194.956 PRESSAVG: 4467200 -81.5507 -49.6309 2.83844 -49.6309 87.6782 -27.5601 2.83829 -27.5601 -2.34757 GPRESSAVG: 4467200 -81.4495 -47.7574 2.32803 -52.7194 87.4794 -27.8781 3.17443 -26.9616 -2.25818 TIMING: 4467200 CPU: 13267.4, 0.00294429/step Wall: 13267.4, 0.00294429/step, 0.435755 hours remaining, 207.898438 MB of memory in use. ENERGY: 4467200 814.4623 2102.7132 1959.8864 119.6601 -206144.0408 17830.7681 0.0000 0.0000 34312.5128 -149004.0379 299.6597 -183316.5507 -148902.4113 300.2416 -98.3790 -66.8981 558038.9071 1.2600 1.2572 PRESSURE: 4467400 259.73 -5.52905 -63.2534 -5.52917 282.358 -1.26587 -63.2543 -1.2664 -202.985 GPRESSURE: 4467400 262.442 11.627 -121.611 16.47 343.599 -61.4699 -36.2771 58.3018 -180.08 PRESSAVG: 4467400 -7.27358 -45.4417 -46.9628 -45.4417 102.5 -30.3356 -46.9629 -30.3355 -68.5368 GPRESSAVG: 4467400 -7.40546 -46.2455 -46.6127 -42.2755 101.611 -28.9389 -47.6343 -30.8266 -66.8846 TIMING: 4467400 CPU: 13268, 0.00293552/step Wall: 13268, 0.00293552/step, 0.434293 hours remaining, 207.898438 MB of memory in use. ENERGY: 4467400 734.7665 2101.0778 1938.9092 110.6851 -206289.5721 17879.1215 0.0000 0.0000 34416.1032 -149108.9088 300.5644 -183525.0120 -149009.5441 299.7271 113.0343 141.9870 556778.6449 8.8964 9.1070 PRESSURE: 4467600 -85.4455 20.687 9.02906 20.6879 206.819 125.947 9.027 125.948 -242.655 GPRESSURE: 4467600 -75.4505 74.9021 38.3812 -51.3134 259.364 49.2752 14.1521 145.371 -200.972 PRESSAVG: 4467600 31.1673 -90.7986 -46.358 -90.7986 57.4701 31.6511 -46.3581 31.6511 -63.6673 GPRESSAVG: 4467600 31.8279 -91.7259 -45.822 -93.1507 57.91 32.2449 -47.2971 30.6692 -65.0153 TIMING: 4467600 CPU: 13268.6, 0.0029614/step Wall: 13268.6, 0.0029614/step, 0.437958 hours remaining, 207.898438 MB of memory in use. ENERGY: 4467600 785.6703 2071.3111 1968.8125 115.6385 -206346.8434 17707.9596 0.0000 0.0000 34562.5632 -149134.8882 301.8435 -183697.4514 -149034.0462 299.5016 -40.4272 -5.6863 556945.0590 8.3234 8.2409 PRESSURE: 4467800 1.75336 -93.1785 -13.7014 -93.1777 -7.50562 -124.129 -13.7018 -124.127 373.43 GPRESSURE: 4467800 94.016 -94.6265 4.98992 4.79018 -1.76995 -83.44 -82.0645 -128.173 380.741 PRESSAVG: 4467800 21.4383 -114.677 -23.8183 -114.677 56.4579 -16.5197 -23.8183 -16.5197 -41.4001 GPRESSAVG: 4467800 20.4238 -113.784 -24.0708 -114.09 56.0974 -19.0469 -22.3671 -14.0107 -39.679 TIMING: 4467800 CPU: 13269.2, 0.00292874/step Wall: 13269.2, 0.00292874/step, 0.432965 hours remaining, 207.898438 MB of memory in use. ENERGY: 4467800 692.5500 2049.9723 1960.2305 112.6037 -206178.8793 17796.1340 0.0000 0.0000 34173.9597 -149393.4291 298.4497 -183567.3888 -149296.3302 299.4494 122.5592 157.6622 557321.9523 12.1653 12.2807 PRESSURE: 4468000 -251.418 102.917 -76.0119 102.915 -380.961 37.9767 -76.0111 37.9781 -147.88 GPRESSURE: 4468000 -198.764 117.26 -114.196 73.5421 -320.959 40.2952 -129.038 -12.6981 -159.761 PRESSAVG: 4468000 68.107 -71.8142 -40.4885 -71.8141 -50.1013 -18.6382 -40.4883 -18.6382 13.0951 GPRESSAVG: 4468000 69.4716 -72.7324 -40.3171 -69.8974 -48.8267 -17.1027 -41.6977 -21.4224 11.31 TIMING: 4468000 CPU: 13269.7, 0.00295054/step Wall: 13269.7, 0.00295053/step, 0.436023 hours remaining, 207.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4468000 756.6781 2136.4217 1961.5273 114.7230 -206046.6649 17557.5928 0.0000 0.0000 34148.0423 -149371.6797 298.2233 -183519.7220 -149271.0333 298.7348 -260.0864 -226.4946 558236.0098 10.3669 10.6516 PRESSURE: 4468200 234.123 81.2356 -149.085 81.2364 -7.67734 -102.773 -149.085 -102.774 9.93154 GPRESSURE: 4468200 237.792 10.4783 -176.383 168.386 67.6504 8.99025 -144.153 -88.7243 29.0282 PRESSAVG: 4468200 48.7088 19.7072 -33.7628 19.7072 -14.0605 22.5143 -33.7627 22.5144 -31.5181 GPRESSAVG: 4468200 47.3253 19.4656 -33.1584 18.7629 -13.6423 23.3544 -34.8837 22.0658 -30.2317 TIMING: 4468200 CPU: 13270.3, 0.00295861/step Wall: 13270.3, 0.00295861/step, 0.437053 hours remaining, 207.898438 MB of memory in use. ENERGY: 4468200 751.4261 2079.4994 1955.5838 103.3392 -206353.3587 17983.2452 0.0000 0.0000 34164.8935 -149315.3715 298.3705 -183480.2650 -149220.8476 299.0550 78.7922 111.4902 556622.4309 1.0434 1.1504 LDB: ============= START OF LOAD BALANCING ============== 13273.9 LDB: ============== END OF LOAD BALANCING =============== 13273.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13273.9 LDB: ============= START OF LOAD BALANCING ============== 13274.2 LDB: Largest compute 4772 load 0.022420 is 19.0% of average load 0.118245 LDB: Average compute 0.001731 is 1.5% of average load 0.118245 LDB: TIME 13274.2 LOAD: AVG 0.118245 MAX 0.196235 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.539 MB LDB: TIME 13274.2 LOAD: AVG 0.118245 MAX 0.196235 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.543 MB LDB: TIME 13274.2 LOAD: AVG 0.118245 MAX 0.196235 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.543 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13274.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13274.2 PRESSURE: 4468400 129.031 149.193 214.223 149.194 256.54 66.5541 214.223 66.5524 -82.7439 GPRESSURE: 4468400 154.627 90.8725 161.643 170.913 305.411 136.874 206.952 38.7936 -56.6509 PRESSAVG: 4468400 9.75149 -13.0796 -19.7435 -13.0795 -14.6529 7.35634 -19.7434 7.35645 19.6557 GPRESSAVG: 4468400 9.8908 -9.82905 -20.153 -15.8231 -14.7287 5.41603 -19.431 9.46889 19.6343 TIMING: 4468400 CPU: 13270.9, 0.00299014/step Wall: 13270.9, 0.00299014/step, 0.441544 hours remaining, 209.378906 MB of memory in use. ENERGY: 4468400 751.4024 2091.2689 1958.2975 104.2083 -206334.1276 17884.7917 0.0000 0.0000 34283.1787 -149260.9802 299.4035 -183544.1589 -149171.9939 299.6202 100.9423 134.4624 557367.0148 4.9181 4.9321 PRESSURE: 4468600 -79.7166 -8.38127 51.8601 -8.38112 64.9576 145.496 51.8589 145.496 -321.719 GPRESSURE: 4468600 -84.5668 -68.6745 40.1364 -44.739 66.6415 132.014 83.6933 192.764 -207.941 PRESSAVG: 4468600 -57.6761 -17.2519 -56.6712 -17.252 76.2414 -22.3981 -56.6711 -22.3981 -20.4348 GPRESSAVG: 4468600 -58.6045 -18.4722 -56.76 -13.8383 76.7027 -21.493 -56.929 -22.0918 -20.1698 TIMING: 4468600 CPU: 13271.5, 0.00293161/step Wall: 13271.5, 0.00293161/step, 0.432739 hours remaining, 209.449219 MB of memory in use. ENERGY: 4468600 721.2070 2099.6429 1927.5666 110.7985 -205966.4602 17597.0425 0.0000 0.0000 34132.4104 -149377.7923 298.0868 -183510.2027 -149285.7371 298.9108 -112.1595 -75.2887 558376.6995 -0.6232 -0.6906 PRESSURE: 4468800 194.397 38.6235 104.757 38.6242 -92.0535 -31.9601 104.757 -31.9611 -128.726 GPRESSURE: 4468800 215.918 -46.299 129.329 83.6602 -67.3902 17.0503 89.1714 -42.7579 -75.0091 PRESSAVG: 4468800 -2.38434 0.748589 18.4476 0.748595 14.2665 40.1274 18.4475 40.1273 -11.9303 GPRESSAVG: 4468800 -1.55435 0.384164 19.8286 -0.545972 12.8906 39.1267 18.3636 38.3531 -11.6734 TIMING: 4468800 CPU: 13272.1, 0.00291238/step Wall: 13272.1, 0.00291238/step, 0.429738 hours remaining, 209.449219 MB of memory in use. ENERGY: 4468800 745.8096 2120.4902 1951.7393 128.0631 -206613.0849 17995.6876 0.0000 0.0000 34263.0664 -149408.2288 299.2279 -183671.2952 -149315.3440 299.4650 -8.7941 24.5063 557521.2023 -0.0160 -0.1124 PRESSURE: 4469000 158.959 79.1175 57.4094 79.1171 -86.7426 -26.8948 57.4097 -26.8955 9.67033 GPRESSURE: 4469000 179.048 145.638 158.878 21.1978 -64.8922 21.0616 -41.3185 -65.3245 69.9328 PRESSAVG: 4469000 54.076 -1.56431 -2.23123 -1.56434 -55.0303 27.5674 -2.23122 27.5675 13.1341 GPRESSAVG: 4469000 54.796 -0.971527 -2.88124 -2.30169 -54.6447 29.2787 -1.46963 28.5855 11.4855 TIMING: 4469000 CPU: 13272.7, 0.00289016/step Wall: 13272.7, 0.00289016/step, 0.426299 hours remaining, 209.449219 MB of memory in use. ENERGY: 4469000 772.8360 2162.3262 1952.8568 127.2960 -206946.2837 18238.5993 0.0000 0.0000 34361.5451 -149330.8242 300.0879 -183692.3693 -149228.9628 299.1449 27.2955 61.3628 557694.9683 4.0599 3.8789 PRESSURE: 4469200 33.42 -93.1797 47.9433 -93.1791 -197.507 98.8079 47.9438 98.8091 183.565 GPRESSURE: 4469200 19.1744 -149.886 35.5627 -93.4622 -132.574 -12.2838 54.51 113.359 216.708 PRESSAVG: 4469200 25.9198 -39.4559 63.858 -39.4559 -41.5739 23.6761 63.8579 23.676 -10.7499 GPRESSAVG: 4469200 25.9315 -39.8829 62.6159 -38.5391 -41.8609 21.5623 63.3038 23.7918 -10.8024 TIMING: 4469200 CPU: 13273.3, 0.00288913/step Wall: 13273.3, 0.00288913/step, 0.425986 hours remaining, 209.449219 MB of memory in use. ENERGY: 4469200 785.1131 2095.4827 1963.2404 101.2752 -206140.1176 17721.7225 0.0000 0.0000 34112.3918 -149360.8919 297.9120 -183473.2837 -149275.1835 299.5980 6.4924 34.4360 555934.5112 -8.8013 -8.9106 PRESSURE: 4469400 -75.4528 111.035 8.01241 111.037 175.374 102.966 8.01352 102.966 -73.8755 GPRESSURE: 4469400 -87.6555 106.819 -50.5854 165.336 217.827 24.9534 71.9046 56.089 -1.72393 PRESSAVG: 4469400 30.8162 41.2823 -20.0196 41.2824 -72.1773 -24.6973 -20.0196 -24.6972 20.4394 GPRESSAVG: 4469400 30.4752 41.1188 -22.027 43.2578 -71.6914 -25.0558 -19.1566 -23.8413 20.1936 TIMING: 4469400 CPU: 13273.8, 0.00289929/step Wall: 13273.8, 0.00289928/step, 0.427322 hours remaining, 209.449219 MB of memory in use. ENERGY: 4469400 746.6878 2095.4147 1943.2659 117.9026 -206170.5212 17843.5627 0.0000 0.0000 34193.3470 -149230.3404 298.6190 -183423.6874 -149130.4558 299.1073 8.6818 42.8160 558004.4392 -6.9739 -7.0075 PRESSURE: 4469600 90.9501 26.3369 -52.273 26.3374 -280 -12.2094 -52.2719 -12.209 -9.36533 GPRESSURE: 4469600 108.189 32.2906 -78.8381 29.7742 -227.444 -52.4876 -30.6928 32.9329 17.945 PRESSAVG: 4469600 2.60059 32.6137 65.1013 32.6136 -32.4353 -6.58712 65.1013 -6.58711 13.48 GPRESSAVG: 4469600 0.75898 34.5045 64.9133 30.3231 -32.5233 -6.66736 65.514 -5.52492 14.973 TIMING: 4469600 CPU: 13274.4, 0.00290903/step Wall: 13274.4, 0.00290903/step, 0.428597 hours remaining, 209.449219 MB of memory in use. ENERGY: 4469600 778.5321 2145.9278 1942.3871 95.6811 -206336.4446 17831.0086 0.0000 0.0000 34108.4113 -149434.4966 297.8772 -183542.9079 -149340.1204 298.5499 -66.1383 -33.7700 558448.7405 -5.4516 -5.5971 PRESSURE: 4469800 -113.638 89.4775 93.8102 89.4763 28.8384 5.87522 93.8102 5.87425 31.2929 GPRESSURE: 4469800 -94.2425 189.732 24.1232 36.2908 70.6668 62.2227 122.617 -120.573 68.4006 PRESSAVG: 4469800 25.0119 36.912 -10.912 36.9119 -104.006 -17.8427 -10.912 -17.8427 26.6815 GPRESSAVG: 4469800 26.0521 35.9492 -11.2198 37.576 -103.089 -17.5381 -10.7963 -17.9913 25.3321 TIMING: 4469800 CPU: 13275, 0.00291663/step Wall: 13275, 0.00291663/step, 0.429555 hours remaining, 209.449219 MB of memory in use. ENERGY: 4469800 772.2550 2104.2809 1923.0889 104.1348 -206280.3351 17984.3467 0.0000 0.0000 33948.5753 -149443.6536 296.4814 -183392.2288 -149350.5466 297.6425 -17.8356 14.9416 558473.4239 -17.4376 -17.2350 PRESSURE: 4470000 -36.8636 7.77211 205.924 7.77276 -31.8622 -102.318 205.923 -102.318 -44.7677 GPRESSURE: 4470000 -36.4052 -7.28179 257.592 -4.60272 -9.91284 12.3699 166.411 -116.713 29.3659 PRESSAVG: 4470000 15.0044 35.0281 5.58997 35.0282 -9.60396 12.9347 5.58993 12.9347 -28.0292 GPRESSAVG: 4470000 14.8627 36.3353 7.01601 32.5583 -11.3914 15.4602 5.96611 12.8018 -26.3996 TIMING: 4470000 CPU: 13275.6, 0.00291605/step Wall: 13275.6, 0.00291605/step, 0.429307 hours remaining, 209.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4470000 754.7367 2055.4253 1947.8504 112.3062 -206285.7895 17908.3286 0.0000 0.0000 34049.4232 -149457.7192 297.3621 -183507.1424 -149352.1809 298.1474 -37.8312 -5.6507 558059.8248 -7.5429 -7.6428 PRESSURE: 4470200 113.772 -139.877 -31.989 -139.878 129.607 1.64939 -31.9876 1.64806 39.5815 GPRESSURE: 4470200 105.334 -114.8 19.7233 -233.615 217.674 57.7094 -87.767 -118.114 57.3864 PRESSAVG: 4470200 -104.329 36.7921 11.8985 36.7921 95.8102 6.13657 11.8986 6.13669 22.9458 GPRESSAVG: 4470200 -103.367 34.3242 13.2194 42.6161 96.3788 2.93428 9.86234 6.41764 20.7943 TIMING: 4470200 CPU: 13276.2, 0.00291583/step Wall: 13276.2, 0.00291583/step, 0.429113 hours remaining, 209.449219 MB of memory in use. ENERGY: 4470200 701.7592 2134.5314 1920.0398 108.0705 -206141.0134 17803.2337 0.0000 0.0000 34124.9004 -149348.4784 298.0212 -183473.3788 -149242.9535 298.5846 94.3201 126.7981 557320.5659 4.8091 4.6019 PRESSURE: 4470400 -10.2081 -129.51 173.783 -129.51 -169.308 -90.2437 173.782 -90.2423 -42.3186 GPRESSURE: 4470400 6.71081 -142.318 164.8 -128.31 -81.5168 -68.2987 127.112 -113.538 -52.7736 PRESSAVG: 4470400 -0.405059 -11.8989 -16.1735 -11.8989 -49.6241 4.22774 -16.1734 4.22771 45.284 GPRESSAVG: 4470400 -0.740703 -13.1605 -16.1601 -14.0021 -49.4392 8.31009 -14.7906 1.41429 45.1888 TIMING: 4470400 CPU: 13276.8, 0.00293351/step Wall: 13276.8, 0.00293351/step, 0.431552 hours remaining, 209.449219 MB of memory in use. ENERGY: 4470400 758.7807 2134.3914 1953.9904 106.2113 -205898.2344 17620.2915 0.0000 0.0000 34121.3662 -149203.2029 297.9904 -183324.5692 -149112.2695 298.8608 -73.9448 -42.5265 557718.0751 -1.5817 -1.6637 PRESSURE: 4470600 83.9448 96.6947 39.7578 96.696 -12.6026 -280.169 39.7574 -280.169 113.715 GPRESSURE: 4470600 100.991 76.6646 42.869 90.9022 -14.4486 -308.647 46.7758 -298.797 190.383 PRESSAVG: 4470600 -26.7953 -21.5133 5.2851 -21.5132 -6.85099 18.0625 5.28495 18.0624 40.7099 GPRESSAVG: 4470600 -28.5031 -19.6293 1.83157 -22.7662 -6.63699 16.3001 6.33847 19.6622 41.7213 TIMING: 4470600 CPU: 13277.3, 0.00295687/step Wall: 13277.3, 0.00295687/step, 0.434824 hours remaining, 209.449219 MB of memory in use. ENERGY: 4470600 753.5355 2108.8006 1950.3386 124.6786 -206178.1567 17892.2053 0.0000 0.0000 34154.3924 -149194.2058 298.2788 -183348.5982 -149098.3402 299.4148 61.6857 92.3084 557123.9864 2.3545 2.1937 PRESSURE: 4470800 -200.044 -85.6051 10.5533 -85.6049 -99.7557 -122.518 10.5534 -122.515 244.917 GPRESSURE: 4470800 -123.775 -106.981 95.894 -93.6686 -128.672 -102.613 18.6568 -114.617 295.587 PRESSAVG: 4470800 3.7186 15.816 -40.0984 15.8159 -69.2695 -20.6492 -40.0983 -20.649 52.998 GPRESSAVG: 4470800 4.54587 14.8487 -36.277 16.2707 -69.1895 -22.2506 -41.7818 -19.5592 52.5361 TIMING: 4470800 CPU: 13277.9, 0.00294907/step Wall: 13277.9, 0.00294907/step, 0.433513 hours remaining, 209.449219 MB of memory in use. ENERGY: 4470800 745.3962 2088.1616 1957.5569 118.8808 -205948.3990 17708.4882 0.0000 0.0000 34209.3145 -149120.6007 298.7585 -183329.9152 -149022.2731 299.4795 -18.2940 14.3799 557483.5789 -4.1843 -4.0358 PRESSURE: 4471000 -189.048 -125.599 -164.692 -125.599 -107.886 10.0766 -164.692 10.0762 -218.653 GPRESSURE: 4471000 -198.769 -78.2243 -210.627 -122.827 -32.1922 -3.73403 -143.818 -58.7932 -180.705 PRESSAVG: 4471000 -33.3834 -8.21829 -46.8505 -8.21829 3.58527 4.83625 -46.8506 4.83614 7.88229 GPRESSAVG: 4471000 -34.4176 -6.87366 -48.6423 -8.17233 3.25718 4.5962 -47.8961 4.46572 9.58395 TIMING: 4471000 CPU: 13278.5, 0.00297411/step Wall: 13278.5, 0.00297411/step, 0.437029 hours remaining, 209.449219 MB of memory in use. ENERGY: 4471000 776.4136 2112.0292 1928.0775 114.3467 -206009.4436 17593.6949 0.0000 0.0000 34324.5427 -149160.3389 299.7648 -183484.8817 -149065.1199 299.9945 -171.8624 -137.2218 556975.0961 -7.3053 -7.1922 PRESSURE: 4471200 -37.7292 5.28564 -17.5336 5.2863 32.1192 128.771 -17.5334 128.77 -54.3656 GPRESSURE: 4471200 -17.6533 -10.2419 -41.4006 -77.6127 42.8971 156.832 -8.34459 117.975 0.946641 PRESSAVG: 4471200 -44.1637 -6.78931 -15.6628 -6.78932 -37.8923 -8.3475 -15.6627 -8.34753 97.7972 GPRESSAVG: 4471200 -42.8696 -7.85337 -15.2775 -7.27612 -38.3027 -8.18552 -13.9708 -8.08072 96.3059 TIMING: 4471200 CPU: 13279.1, 0.00298476/step Wall: 13279.1, 0.00298476/step, 0.438428 hours remaining, 209.449219 MB of memory in use. ENERGY: 4471200 740.6234 2078.5203 1928.2966 126.5658 -206236.0708 17823.3972 0.0000 0.0000 34252.4876 -149286.1799 299.1355 -183538.6675 -149180.8918 299.9796 -19.9919 8.7301 558067.0228 5.2471 5.0445 PRESSURE: 4471400 -84.0293 -148.637 -5.30654 -148.637 -328.744 14.2893 -5.30644 14.2877 -61.8171 GPRESSURE: 4471400 -64.6207 -213.042 49.3923 -128.988 -309.207 -16.0971 45.9433 27.1995 -10.9616 PRESSAVG: 4471400 5.7132 6.28325 -1.51727 6.28324 -73.8477 -6.53293 -1.5171 -6.53298 56.4422 GPRESSAVG: 4471400 6.07983 6.13926 0.018591 7.19621 -73.8708 -5.53852 -1.75976 -6.63451 56.0837 TIMING: 4471400 CPU: 13279.7, 0.00296174/step Wall: 13279.7, 0.00296174/step, 0.434882 hours remaining, 209.449219 MB of memory in use. ENERGY: 4471400 787.5500 2128.1107 1977.0008 118.5155 -206217.2777 17614.8806 0.0000 0.0000 34193.3934 -149397.8268 298.6194 -183591.2202 -149306.7460 298.9341 -158.1968 -128.2633 558074.2346 -3.8974 -3.9024 PRESSURE: 4471600 -7.01638 144.691 -46.435 144.69 -30.6506 48.9058 -46.4359 48.9063 -149.52 GPRESSURE: 4471600 57.9198 152.708 12.0018 114.925 -61.5567 95.0031 -83.0479 78.1061 -81.9211 PRESSAVG: 4471600 -1.78139 -5.92778 -22.8671 -5.9278 -67.592 4.08558 -22.867 4.08565 76.6502 GPRESSAVG: 4471600 -2.21685 -5.56587 -22.3237 -6.88654 -66.507 5.93976 -24.4686 4.3657 76.1673 TIMING: 4471600 CPU: 13280.3, 0.00293736/step Wall: 13280.3, 0.00293736/step, 0.431139 hours remaining, 209.449219 MB of memory in use. ENERGY: 4471600 756.9396 2053.9965 1948.5544 107.9575 -206455.7612 17865.5969 0.0000 0.0000 34371.0398 -149351.6764 300.1708 -183722.7163 -149251.3156 298.6938 -62.3955 -28.5193 557589.5542 2.4256 2.4812 PRESSURE: 4471800 115.981 -21.9172 15.0085 -21.9157 149.367 106.122 15.0092 106.122 52.637 GPRESSURE: 4471800 92.8499 48.3934 -149.858 -125.377 161.461 94.9205 97.9864 221.86 158.166 PRESSAVG: 4471800 -2.42228 -38.1906 26.2988 -38.1905 52.3745 -2.86157 26.2989 -2.86155 8.08707 GPRESSAVG: 4471800 -2.87602 -39.2811 23.4884 -37.0989 51.4751 -3.17275 28.6299 -4.85817 9.59474 TIMING: 4471800 CPU: 13280.9, 0.00295338/step Wall: 13280.9, 0.00295338/step, 0.433327 hours remaining, 209.449219 MB of memory in use. ENERGY: 4471800 731.3542 2186.3884 1930.4647 108.7619 -206587.1581 18178.4700 0.0000 0.0000 34326.7068 -149125.0121 299.7837 -183451.7189 -149035.9282 299.0818 105.9949 137.4923 556995.2651 19.3464 19.3979 PRESSURE: 4472000 -28.5375 2.80423 30.7788 2.80491 -161.302 -37.5502 30.7804 -37.5516 -279.359 GPRESSURE: 4472000 15.4354 -16.4048 50.3863 -57.7609 -150.258 -34.7561 51.8974 12.185 -232.698 PRESSAVG: 4472000 -47.0634 -9.33809 6.1876 -9.33813 31.8983 -8.36188 6.18761 -8.36193 16.3687 GPRESSAVG: 4472000 -47.801 -7.78293 7.55764 -11.5502 32.7245 -11.9805 3.78285 -6.19789 16.494 TIMING: 4472000 CPU: 13281.5, 0.0029289/step Wall: 13281.5, 0.0029289/step, 0.429571 hours remaining, 209.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4472000 791.8749 2077.6280 1927.4265 106.9385 -205938.0552 17702.2473 0.0000 0.0000 34173.7059 -149158.2341 298.4475 -183331.9400 -149059.0973 298.6388 -156.3995 -122.5070 557363.5555 0.4012 0.4725 PRESSURE: 4472200 26.0083 -140.228 115.069 -140.229 30.0478 -115.291 115.071 -115.293 88.8432 GPRESSURE: 4472200 98.0497 -237.631 125.976 -69.8909 61.2353 -119.974 8.3186 -192.799 73.7563 PRESSAVG: 4472200 -14.9341 -8.04262 44.3457 -8.04266 14.0372 50.7404 44.3457 50.7404 49.1045 GPRESSAVG: 4472200 -14.3531 -11.4712 44.1668 -4.03691 14.3961 52.7393 43.4237 51.6936 48.3327 TIMING: 4472200 CPU: 13282.1, 0.00293836/step Wall: 13282.1, 0.00293836/step, 0.430796 hours remaining, 209.449219 MB of memory in use. ENERGY: 4472200 696.2916 2092.0834 1960.3570 120.1930 -206192.2211 17686.1060 0.0000 0.0000 34326.7005 -149310.4896 299.7836 -183637.1901 -149210.6914 299.4208 48.2997 77.6804 557087.9543 16.0692 16.1253 LDB: ============= START OF LOAD BALANCING ============== 13285.6 LDB: ============== END OF LOAD BALANCING =============== 13285.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13285.6 LDB: ============= START OF LOAD BALANCING ============== 13285.9 LDB: Largest compute 4809 load 0.020289 is 17.1% of average load 0.118340 LDB: Average compute 0.001734 is 1.5% of average load 0.118340 LDB: TIME 13285.9 LOAD: AVG 0.11834 MAX 0.198996 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.953 MB LDB: TIME 13285.9 LOAD: AVG 0.11834 MAX 0.198996 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.953 MB LDB: TIME 13285.9 LOAD: AVG 0.11834 MAX 0.198996 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.953 MB LDB: ============== END OF LOAD BALANCING =============== 13285.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13285.9 PRESSURE: 4472400 -136.949 149.441 -0.91715 149.44 -320.741 62.9044 -0.915943 62.9037 -305.366 GPRESSURE: 4472400 -158.367 168.819 23.0588 159.422 -291.041 97.5629 -78.9119 21.9127 -228.749 PRESSAVG: 4472400 25.6755 -33.2567 76.8158 -33.2567 -5.30496 -6.78307 76.8157 -6.783 -1.61796 GPRESSAVG: 4472400 25.9043 -31.8912 75.6311 -33.7008 -6.56408 -5.79937 77.0572 -9.07979 -0.74235 TIMING: 4472400 CPU: 13282.7, 0.00301818/step Wall: 13282.7, 0.00301818/step, 0.442331 hours remaining, 208.550781 MB of memory in use. ENERGY: 4472400 791.4962 2089.4509 1938.9012 106.5847 -205997.3912 17552.6457 0.0000 0.0000 34188.9420 -149329.3707 298.5805 -183518.3127 -149237.4631 299.5434 -254.3518 -226.0520 556175.5463 6.2509 6.1993 PRESSURE: 4472600 184.127 -39.319 -119.298 -39.3187 -72.7573 -1.20421 -119.298 -1.20354 15.7574 GPRESSURE: 4472600 184.042 -39.0473 -190.868 -94.5197 -50.9806 63.6896 -73.182 2.10673 96.2602 PRESSAVG: 4472600 55.3146 22.1156 -13.8638 22.1155 -55.7448 -21.5177 -13.8638 -21.5177 39.2704 GPRESSAVG: 4472600 55.0395 24.2864 -12.229 19.959 -54.6822 -20.5416 -13.1265 -22.1268 38.7003 TIMING: 4472600 CPU: 13283.3, 0.00297091/step Wall: 13283.3, 0.00297091/step, 0.435239 hours remaining, 208.550781 MB of memory in use. ENERGY: 4472600 740.9403 2106.9143 1917.9016 121.5769 -206218.0110 17726.6318 0.0000 0.0000 34350.0065 -149254.0397 299.9871 -183604.0461 -149163.3943 299.4209 42.3757 76.4405 556379.0155 12.9468 13.0192 PRESSURE: 4472800 -78.3342 -47.6599 137.662 -47.6611 164.353 -68.3122 137.662 -68.3116 -13.2294 GPRESSURE: 4472800 -77.0591 -1.05579 112.501 -27.5414 203.285 -129.939 168.873 23.4963 54.1866 PRESSAVG: 4472800 30.7748 -54.611 -63.6576 -54.611 -21.9851 -11.0839 -63.6576 -11.084 -51.0211 GPRESSAVG: 4472800 29.707 -55.5828 -63.8588 -55.8781 -21.7434 -10.8934 -63.3339 -10.0655 -50.0509 TIMING: 4472800 CPU: 13283.9, 0.00292185/step Wall: 13283.9, 0.00292185/step, 0.427889 hours remaining, 208.550781 MB of memory in use. ENERGY: 4472800 734.3207 2091.3868 1906.9539 110.5895 -206128.0220 17789.3704 0.0000 0.0000 34205.6648 -149289.7360 298.7266 -183495.4008 -149185.6946 299.0858 24.2631 60.1376 557357.1547 -14.0771 -14.0291 PRESSURE: 4473000 -102.717 -77.7621 8.04872 -77.7609 -276.324 43.3042 8.04906 43.3043 -118.406 GPRESSURE: 4473000 -60.6331 28.1969 75.5292 -105.236 -285.415 -93.3045 8.32441 51.7406 -62.0613 PRESSAVG: 4473000 2.25439 -43.5151 -3.20389 -43.5151 4.60967 -1.86915 -3.20385 -1.86921 -11.6547 GPRESSAVG: 4473000 3.09672 -41.6637 -3.92928 -44.1904 3.19635 -2.39337 -3.98738 -1.53718 -11.5574 TIMING: 4473000 CPU: 13284.4, 0.00294325/step Wall: 13284.4, 0.00294325/step, 0.430859 hours remaining, 208.550781 MB of memory in use. ENERGY: 4473000 751.8256 2080.0784 1947.3508 103.9513 -205967.8586 17685.8892 0.0000 0.0000 34200.3615 -149198.4019 298.6803 -183398.7634 -149099.8980 299.0087 -165.8159 -136.0364 558259.2980 -1.5969 -1.7548 PRESSURE: 4473200 29.1079 139.675 58.8172 139.674 -107.164 56.3804 58.8171 56.3805 -38.5031 GPRESSURE: 4473200 54.2074 165.765 -7.25972 103.983 -93.3448 -43.5314 64.1779 126.472 20.9971 PRESSAVG: 4473200 24.7056 -15.4884 -12.8184 -15.4884 -23.2664 -0.549308 -12.8184 -0.549223 23.7801 GPRESSAVG: 4473200 24.2265 -18.5129 -11.6842 -11.9252 -23.431 -1.05348 -14.353 -2.2131 24.2397 TIMING: 4473200 CPU: 13285, 0.00293535/step Wall: 13285, 0.00293535/step, 0.42954 hours remaining, 208.808594 MB of memory in use. ENERGY: 4473200 735.8640 2100.1098 1901.6689 110.2434 -206361.2039 17829.2454 0.0000 0.0000 34521.2905 -149162.7819 301.4830 -183684.0724 -149066.0949 299.4397 -38.8530 -6.0468 556418.2122 8.4064 8.3451 PRESSURE: 4473400 60.548 -95.6931 -46.0373 -95.6939 158.455 38.1395 -46.0372 38.1382 195.152 GPRESSURE: 4473400 80.4506 -81.0257 -14.6117 -52.3781 232.503 22.6603 -63.7675 28.6476 195.299 PRESSAVG: 4473400 -48.6107 -2.15376 -18.1939 -2.15381 46.9062 -12.0287 -18.1939 -12.0287 17.372 GPRESSAVG: 4473400 -48.2146 -1.5148 -19.2299 -3.95069 47.2128 -11.5667 -14.8839 -11.2811 16.5395 TIMING: 4473400 CPU: 13285.6, 0.00293884/step Wall: 13285.6, 0.00293884/step, 0.429887 hours remaining, 208.808594 MB of memory in use. ENERGY: 4473400 747.5894 2073.3167 1946.1177 132.8855 -206593.6674 18066.7612 0.0000 0.0000 34579.5472 -149047.4497 301.9918 -183626.9969 -148951.7158 299.9830 138.0517 169.4176 557545.4346 5.2225 5.1792 PRESSURE: 4473600 46.2334 -38.801 -103.846 -38.8018 91.8424 45.2171 -103.847 45.2186 -28.4686 GPRESSURE: 4473600 117.493 -83.8231 -174.04 -25.796 91.0646 93.6782 -35.134 -40.101 7.3886 PRESSAVG: 4473600 -82.8415 -32.7012 28.23 -32.7013 5.14585 -22.3066 28.23 -22.3067 51.1587 GPRESSAVG: 4473600 -82.4711 -32.9407 27.6137 -34.7355 5.85956 -24.4847 28.3563 -21.4044 50.3574 TIMING: 4473600 CPU: 13286.2, 0.0029385/step Wall: 13286.2, 0.0029385/step, 0.429673 hours remaining, 208.808594 MB of memory in use. ENERGY: 4473600 732.8084 2119.7297 1940.8556 119.0780 -206432.9627 17920.4240 0.0000 0.0000 34450.8055 -149149.2616 300.8675 -183600.0671 -149047.7556 300.5949 36.5357 71.9821 558320.1398 -8.8456 -8.7514 PRESSURE: 4473800 -226.351 -129.233 -7.94905 -129.234 -182.347 -239.551 -7.94914 -239.552 -229.989 GPRESSURE: 4473800 -199.051 -56.2837 0.0864787 -189.953 -167.245 -174.971 -22.3742 -241.217 -169.212 PRESSAVG: 4473800 -53.8777 -11.6235 -15.6278 -11.6236 47.6783 -35.4695 -15.6279 -35.4696 3.72145 GPRESSAVG: 4473800 -54.9839 -7.80818 -14.0756 -10.9166 47.7859 -33.1271 -17.0844 -37.3091 4.6567 TIMING: 4473800 CPU: 13286.8, 0.00293347/step Wall: 13286.8, 0.00293347/step, 0.428776 hours remaining, 208.808594 MB of memory in use. ENERGY: 4473800 745.0379 2092.1386 1959.4246 111.5325 -205754.2910 17532.5730 0.0000 0.0000 34367.0664 -148946.5179 300.1361 -183313.5844 -148851.7246 300.9300 -212.8960 -178.5026 559102.3780 -0.8260 -0.8471 PRESSURE: 4474000 42.0348 -87.1547 203.085 -87.1553 -42.5531 -60.5715 203.085 -60.572 -101.479 GPRESSURE: 4474000 104.591 -41.9307 93.0987 -137.196 23.1794 -72.4853 214.685 -88.5192 -133.55 PRESSAVG: 4474000 -67.3483 -7.79204 -2.16397 -7.79202 25.8249 -19.3002 -2.16409 -19.3002 19.0241 GPRESSAVG: 4474000 -67.0616 -13.74 -3.9413 -4.951 25.9265 -19.8856 -1.57682 -19.171 19.1784 TIMING: 4474000 CPU: 13287.4, 0.00292392/step Wall: 13287.4, 0.00292392/step, 0.427217 hours remaining, 208.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4474000 762.0619 2071.7131 1961.1458 130.8322 -206021.9940 17704.2222 0.0000 0.0000 34454.0961 -148937.9227 300.8962 -183392.0188 -148837.2669 300.3151 -33.9991 -1.9266 558008.6784 -7.4998 -7.3189 PRESSURE: 4474200 -6.79552 100.05 -17.7587 100.049 -63.3574 81.6854 -17.7594 81.6832 -367.536 GPRESSURE: 4474200 65.5751 120.358 -120.522 123.916 -49.6901 38.1387 -28.1522 134.91 -340.264 PRESSAVG: 4474200 17.0534 10.8175 -7.00889 10.8175 64.5678 -15.5958 -7.00883 -15.5957 -51.5686 GPRESSAVG: 4474200 16.5508 15.5459 -4.72351 8.06241 64.5522 -15.8231 -8.40109 -12.758 -51.2943 TIMING: 4474200 CPU: 13288, 0.00296073/step Wall: 13288, 0.00296073/step, 0.432431 hours remaining, 208.808594 MB of memory in use. ENERGY: 4474200 755.9460 2096.2658 1957.1463 129.4680 -205986.3918 17674.5251 0.0000 0.0000 34353.5076 -149019.5330 300.0177 -183373.0406 -148929.4780 300.3781 -145.8964 -108.1262 557120.1982 10.0175 9.9362 PRESSURE: 4474400 -284.088 43.8266 -39.9086 43.8264 -104.019 72.9904 -39.9083 72.9918 -52.3956 GPRESSURE: 4474400 -271.57 52.2452 -106.052 144.568 -63.5039 19.7399 142.394 30.6689 -2.1024 PRESSAVG: 4474400 -9.85358 31.5427 39.0412 31.5427 45.0398 25.3152 39.0412 25.3152 -37.0397 GPRESSAVG: 4474400 -9.81825 30.947 35.1551 31.3651 44.9048 24.7073 41.242 23.4741 -36.4352 TIMING: 4474400 CPU: 13288.6, 0.00296533/step Wall: 13288.6, 0.00296533/step, 0.432938 hours remaining, 208.808594 MB of memory in use. ENERGY: 4474400 761.3980 2050.2314 1926.7056 110.5157 -205725.6704 17598.6635 0.0000 0.0000 34321.1934 -148956.9627 299.7355 -183278.1561 -148862.1483 300.0752 -146.8341 -112.3922 557446.5639 -0.6178 -0.4496 PRESSURE: 4474600 3.01486 -15.9125 16.3423 -15.9132 -122.727 76.8886 16.3411 76.8882 -443.033 GPRESSURE: 4474600 41.5425 -41.6258 -15.9313 -20.2134 -154.033 105.47 -30.1694 99.405 -362.427 PRESSAVG: 4474600 -2.50307 -23.2528 -10.3763 -23.2527 32.0754 -17.6809 -10.3763 -17.6809 -25.7003 GPRESSAVG: 4474600 -1.1582 -24.4078 -7.09946 -22.0364 30.9731 -19.3874 -12.7652 -16.9054 -25.8598 TIMING: 4474600 CPU: 13289.1, 0.00293218/step Wall: 13289.1, 0.00293218/step, 0.427936 hours remaining, 208.808594 MB of memory in use. ENERGY: 4474600 787.0505 2099.3091 1960.8778 119.6081 -205773.3697 17387.0401 0.0000 0.0000 34445.4301 -148974.0540 300.8205 -183419.4841 -148879.3817 299.7808 -187.5816 -158.3059 556710.9131 1.2907 1.3184 PRESSURE: 4474800 42.9322 46.0274 -3.67333 46.0259 56.8394 -83.6866 -3.67328 -83.6856 -89.6901 GPRESSURE: 4474800 42.5579 1.73221 30.5505 85.6313 107.961 -73.4809 18.9309 -125.927 -36.6378 PRESSAVG: 4474800 42.7023 -0.657679 -50.3453 -0.65764 -13.2477 -32.3259 -50.3453 -32.3259 -3.00814 GPRESSAVG: 4474800 42.3815 0.40172 -50.7524 -2.0627 -11.1755 -30.8197 -48.3193 -32.2239 -4.66525 TIMING: 4474800 CPU: 13289.7, 0.00293809/step Wall: 13289.7, 0.00293809/step, 0.428635 hours remaining, 208.808594 MB of memory in use. ENERGY: 4474800 744.0367 2084.7437 1942.7262 114.2629 -206126.8318 17820.8939 0.0000 0.0000 34305.6336 -149114.5350 299.5996 -183420.1686 -149020.9538 300.4422 3.3605 37.9604 555898.7574 8.8155 8.8469 PRESSURE: 4475000 -104.832 -21.0822 -108.011 -21.0822 -451.212 -146.366 -108.013 -146.366 -192.38 GPRESSURE: 4475000 -97.8515 -67.0977 -18.4601 -64.1709 -379.498 -140.684 -56.5298 -188.333 -185.447 PRESSAVG: 4475000 -3.01201 -28.2259 -46.7067 -28.2259 11.9345 -3.97002 -46.7066 -3.96998 -1.34925 GPRESSAVG: 4475000 -3.58853 -28.1996 -45.429 -26.7289 12.2522 -3.54138 -47.6751 -6.03276 -0.927302 TIMING: 4475000 CPU: 13290.3, 0.00296779/step Wall: 13290.3, 0.00296779/step, 0.432803 hours remaining, 208.808594 MB of memory in use. ENERGY: 4475000 748.6339 2040.6298 1932.0702 101.6788 -205340.3074 17243.6905 0.0000 0.0000 34063.2215 -149210.3827 297.4826 -183273.6042 -149112.1608 299.4517 -249.4748 -220.9323 558502.8837 2.5244 2.5788 PRESSURE: 4475200 -548.575 5.88316 -23.3376 5.88198 86.8165 122.152 -23.3373 122.149 -20.204 GPRESSURE: 4475200 -403.452 -11.192 20.0154 21.7509 78.7415 37.1589 -116.082 160.123 -51.4029 PRESSAVG: 4475200 9.38967 39.0928 -26.93 39.0928 -5.41516 -35.2237 -26.9301 -35.2239 0.984142 GPRESSAVG: 4475200 10.2516 37.9838 -27.6705 39.1513 -6.51722 -34.5021 -27.1381 -34.2887 1.69548 TIMING: 4475200 CPU: 13290.9, 0.0029196/step Wall: 13290.9, 0.0029196/step, 0.425612 hours remaining, 208.808594 MB of memory in use. ENERGY: 4475200 750.4096 2096.6059 1948.2818 115.3000 -205886.0505 17657.1773 0.0000 0.0000 34263.5069 -149054.7690 299.2317 -183318.2759 -148958.8526 299.2950 -160.6543 -125.3713 557553.7906 1.6529 1.8100 PRESSURE: 4475400 -342.973 30.9956 -150.741 30.9949 -33.9292 -18.5891 -150.742 -18.5903 112.464 GPRESSURE: 4475400 -323.041 58.257 -169.253 -35.9936 9.59456 24.7228 -89.3487 -15.71 149.025 PRESSAVG: 4475400 -35.9659 15.0474 -66.0752 15.0475 -8.19618 0.495227 -66.0754 0.495363 37.0759 GPRESSAVG: 4475400 -37.0413 14.7478 -67.7612 14.4846 -7.91835 -2.51787 -65.4881 2.05223 37.9722 TIMING: 4475400 CPU: 13291.5, 0.00291598/step Wall: 13291.5, 0.00291598/step, 0.424923 hours remaining, 208.808594 MB of memory in use. ENERGY: 4475400 721.6709 2134.6942 1939.3782 104.6902 -205945.7183 17659.7133 0.0000 0.0000 34232.2378 -149153.3336 298.9586 -183385.5714 -149054.5104 298.7571 -88.1460 -54.8071 557061.0447 -2.3620 -2.3292 PRESSURE: 4475600 168.617 -137.068 -93.9426 -137.07 -184.434 2.55127 -93.9431 2.55202 21.7509 GPRESSURE: 4475600 198.146 -95.4287 -43.264 -109.89 -123.612 37.4101 -156.495 18.2378 15.941 PRESSAVG: 4475600 9.1063 27.1475 -9.28203 27.1476 -25.0192 -21.1607 -9.28211 -21.1607 28.2045 GPRESSAVG: 4475600 9.27826 28.3925 -8.91633 25.9703 -24.8131 -19.1302 -10.7014 -22.809 27.9366 TIMING: 4475600 CPU: 13292.1, 0.00293689/step Wall: 13292.1, 0.00293689/step, 0.427808 hours remaining, 208.808594 MB of memory in use. ENERGY: 4475600 762.3350 2130.3322 1926.9402 113.5257 -205722.8644 17544.4504 0.0000 0.0000 34211.7530 -149033.5279 298.7797 -183245.2809 -148941.5787 299.7203 1.9782 30.1584 558719.2191 4.0972 4.1339 PRESSURE: 4475800 -179.541 -114.5 29.1303 -114.502 -83.8951 75.95 29.1312 75.9518 -184.06 GPRESSURE: 4475800 -160.199 -69.8961 0.751188 -70.9883 -61.5471 111.995 51.5378 -6.46405 -149.72 PRESSAVG: 4475800 -48.8514 44.2114 -62.1025 44.2114 30.3976 0.454175 -62.1025 0.454213 38.9782 GPRESSAVG: 4475800 -48.6155 44.6387 -61.1245 45.3138 29.5255 0.0214404 -61.7383 1.26069 39.9854 TIMING: 4475800 CPU: 13292.7, 0.00294713/step Wall: 13292.7, 0.00294713/step, 0.429135 hours remaining, 208.808594 MB of memory in use. ENERGY: 4475800 728.6310 2041.4780 1919.8785 111.5118 -205493.0926 17444.8896 0.0000 0.0000 34117.2046 -149129.4990 297.9540 -183246.7036 -149035.2796 299.9778 -149.1654 -123.8219 558605.1903 6.8415 6.9651 PRESSURE: 4476000 -214.949 -156.758 -112.192 -156.758 -115.284 24.2019 -112.191 24.2014 -132.589 GPRESSURE: 4476000 -225.486 -215.97 -146.864 -102.547 -48.2083 65.9825 -110.361 -44.2138 -93.6768 PRESSAVG: 4476000 -1.19431 -36.0652 -49.9278 -36.0652 30.6869 -4.74063 -49.9278 -4.74069 -74.491 GPRESSAVG: 4476000 -1.1936 -36.8941 -49.053 -35.9801 30.9128 -3.42486 -49.417 -5.4445 -74.7675 TIMING: 4476000 CPU: 13293.3, 0.00291642/step Wall: 13293.3, 0.00291642/step, 0.424502 hours remaining, 208.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4476000 761.6454 2082.1944 1959.0052 120.6448 -205861.0470 17600.0970 0.0000 0.0000 34195.4910 -149141.9694 298.6377 -183337.4603 -149042.3214 299.6980 -154.2740 -122.4569 559165.2420 -14.9995 -15.0161 PRESSURE: 4476200 123.978 -3.05435 -135.27 -3.05424 -64.7756 -37.8347 -135.269 -37.8333 -73.496 GPRESSURE: 4476200 221.198 -27.384 -76.4648 43.5126 -92.7797 -55.841 -156.132 -0.263062 -36.9109 PRESSAVG: 4476200 18.7329 -33.5487 -72.6268 -33.5486 -74.4273 -22.1399 -72.6268 -22.14 97.4012 GPRESSAVG: 4476200 18.8667 -34.7427 -75.908 -32.2965 -73.7913 -24.0701 -68.2593 -21.9209 96.1628 TIMING: 4476200 CPU: 13293.8, 0.00292893/step Wall: 13293.8, 0.00292893/step, 0.426159 hours remaining, 208.808594 MB of memory in use. ENERGY: 4476200 733.4669 2074.8501 1971.7042 106.2076 -206165.3889 17683.1892 0.0000 0.0000 34413.3157 -149182.6551 300.5400 -183595.9709 -149088.1723 300.1148 -4.7646 30.5023 557953.3287 13.9023 13.7461 LDB: ============= START OF LOAD BALANCING ============== 13297.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13297.4 LDB: =============== DONE WITH MIGRATION ================ 13297.4 LDB: ============= START OF LOAD BALANCING ============== 13297.7 LDB: Largest compute 4809 load 0.021393 is 18.1% of average load 0.118225 LDB: Average compute 0.001737 is 1.5% of average load 0.118225 LDB: TIME 13297.7 LOAD: AVG 0.118225 MAX 0.196049 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.551 MB LDB: TIME 13297.7 LOAD: AVG 0.118225 MAX 0.196049 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.551 MB LDB: TIME 13297.7 LOAD: AVG 0.118225 MAX 0.196049 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.551 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13297.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13297.7 PRESSURE: 4476400 53.3592 47.8996 -10.2371 47.8991 -57.1616 90.9421 -10.2372 90.9414 -27.583 GPRESSURE: 4476400 90.213 6.87908 26.762 -56.1798 -48.5052 165.612 -81.8219 157.526 20.324 PRESSAVG: 4476400 72.6755 2.95727 -24.9573 2.95718 -99.5486 -31.2951 -24.9575 -31.2952 3.45575 GPRESSAVG: 4476400 71.9356 5.28293 -21.2248 0.20336 -99.4946 -29.8328 -29.2673 -32.5287 4.23202 TIMING: 4476400 CPU: 13294.4, 0.00300616/step Wall: 13294.4, 0.00300616/step, 0.437229 hours remaining, 209.839844 MB of memory in use. ENERGY: 4476400 723.5602 2051.7193 1968.2000 115.0950 -206019.9715 17656.0483 0.0000 0.0000 34243.9439 -149261.4046 299.0609 -183505.3486 -149157.5449 299.4672 -10.4618 20.6773 556767.3159 -7.8058 -7.7757 PRESSURE: 4476600 -123.558 -80.4025 199.37 -80.4015 -88.568 -85.691 199.371 -85.6898 85.3689 GPRESSURE: 4476600 -107.197 -93.3116 147.871 -39.5445 -14.362 13.2355 189.361 -99.6302 92.8814 PRESSAVG: 4476600 -39.1413 -70.1032 -31.3511 -70.1033 -48.4692 -4.63156 -31.3512 -4.63146 48.0434 GPRESSAVG: 4476600 -39.3033 -69.7941 -33.2235 -69.5887 -48.0729 -4.98675 -30.6983 -4.38588 47.7494 TIMING: 4476600 CPU: 13295, 0.00293758/step Wall: 13295, 0.00293758/step, 0.427091 hours remaining, 209.839844 MB of memory in use. ENERGY: 4476600 747.6975 2100.5116 1944.7469 107.9326 -206426.6941 17930.1841 0.0000 0.0000 34174.5695 -149421.0519 298.4550 -183595.6214 -149331.3599 299.4088 -42.2523 -9.5593 556679.5770 -13.1890 -13.2089 PRESSURE: 4476800 -33.1601 -112.414 19.0171 -112.417 -91.0932 27.001 19.0166 27.0001 -141.276 GPRESSURE: 4476800 -8.88577 -85.5097 -58.6771 -148.73 -48.4744 38.4469 35.1037 90.284 -118.987 PRESSAVG: 4476800 -32.8139 -3.06293 35.7794 -3.06305 15.0016 48.5222 35.7793 48.5222 1.47541 GPRESSAVG: 4476800 -32.9947 -4.43495 34.5501 -2.38034 14.3736 46.9767 35.2792 51.9564 1.51604 TIMING: 4476800 CPU: 13295.6, 0.00294738/step Wall: 13295.6, 0.00294737/step, 0.428352 hours remaining, 209.839844 MB of memory in use. ENERGY: 4476800 757.4756 2096.5634 1941.8305 108.0642 -206065.8016 17793.0930 0.0000 0.0000 34051.2047 -149317.5703 297.3776 -183368.7750 -149221.9108 300.1214 -88.5099 -58.7824 557275.1299 -5.4456 -5.7017 PRESSURE: 4477000 -153.356 112.524 -42.3658 112.524 -115.572 -76.2878 -42.3655 -76.2884 -163.596 GPRESSURE: 4477000 -147.528 162.135 -47.9758 109.142 -23.7491 11.9239 -49.3962 -117.212 -168.136 PRESSAVG: 4477000 -59.5068 -27.2833 23.4322 -27.2833 53.8325 19.4491 23.4323 19.449 50.9417 GPRESSAVG: 4477000 -58.6565 -25.2269 24.6647 -27.5332 52.6032 18.8367 22.6786 17.8169 51.5206 TIMING: 4477000 CPU: 13296.2, 0.00296744/step Wall: 13296.2, 0.00296744/step, 0.431103 hours remaining, 209.839844 MB of memory in use. ENERGY: 4477000 745.6172 2107.0963 1966.8936 102.4655 -206079.4840 17637.2197 0.0000 0.0000 34089.1414 -149431.0503 297.7090 -183520.1917 -149327.3410 298.7527 -144.1746 -113.1375 558521.9085 15.0891 15.1558 PRESSURE: 4477200 -362.903 -71.7398 36.9309 -71.7403 -109.844 -56.0508 36.9316 -56.0502 279.989 GPRESSURE: 4477200 -288.279 -21.4623 66.8572 -28.1728 -45.1932 -35.3166 -28.872 -82.2205 247.431 PRESSAVG: 4477200 -14.1914 10.8828 50.6517 10.8828 -27.4801 -0.0387758 50.6517 -0.0388222 35.1727 GPRESSAVG: 4477200 -14.1317 9.66209 48.1877 11.6513 -27.608 3.02472 52.4061 0.461363 35.9971 TIMING: 4477200 CPU: 13296.8, 0.00295169/step Wall: 13296.8, 0.00295169/step, 0.428651 hours remaining, 209.839844 MB of memory in use. ENERGY: 4477200 735.3635 2100.2754 1962.7962 116.6135 -206596.9151 17732.4583 0.0000 0.0000 34225.9806 -149723.4275 298.9040 -183949.4081 -149624.6254 298.6184 -64.2528 -28.6804 557046.6924 -2.1663 -1.9142 PRESSURE: 4477400 -297.076 -8.86753 -16.8001 -8.86725 190.413 -30.729 -16.8 -30.7269 -54.1306 GPRESSURE: 4477400 -283.518 45.4391 33.0484 -76.3985 235.947 -27.9237 -68.9698 -25.5095 -18.6023 PRESSAVG: 4477400 -42.8342 36.2466 7.63182 36.2466 51.2361 27.9659 7.63186 27.9659 21.9307 GPRESSAVG: 4477400 -42.8422 36.5358 10.2956 36.0903 52.7572 26.4292 7.26991 27.8932 20.6036 TIMING: 4477400 CPU: 13297.4, 0.00295112/step Wall: 13297.4, 0.00295112/step, 0.428404 hours remaining, 209.839844 MB of memory in use. ENERGY: 4477400 759.6293 2144.7679 1920.3429 106.2339 -206480.8509 17772.5052 0.0000 0.0000 34087.4390 -149689.9328 297.6941 -183777.3718 -149594.4831 298.3618 -53.5980 -22.0578 555965.4480 10.1109 10.1729 PRESSURE: 4477600 284.853 40.5995 -254.536 40.5986 329.148 -2.6742 -254.537 -2.67329 57.4114 GPRESSURE: 4477600 391.536 3.23961 -169.586 123.522 295.357 55.4273 -225.936 -53.0881 78.1299 PRESSAVG: 4477600 -19.0749 21.6089 -41.1638 21.609 -9.40409 13.543 -41.1638 13.5431 67.1795 GPRESSAVG: 4477600 -17.8797 21.1982 -43.3138 21.8699 -10.8728 16.5614 -40.6629 11.8195 67.4095 TIMING: 4477600 CPU: 13298, 0.00295021/step Wall: 13298, 0.00295021/step, 0.428109 hours remaining, 209.839844 MB of memory in use. ENERGY: 4477600 732.0757 2120.3915 1937.5358 115.4990 -206955.9439 18226.4036 0.0000 0.0000 34137.9648 -149686.0735 298.1353 -183824.0383 -149585.5629 297.6994 223.8040 255.0075 556320.8441 12.9002 12.8857 PRESSURE: 4477800 211.599 -20.6397 146.235 -20.6407 153.903 -149.335 146.236 -149.335 177.223 GPRESSURE: 4477800 253.574 -36.8802 95.3805 3.19143 199.867 -135.627 164.75 -246.733 203.459 PRESSAVG: 4477800 38.7573 4.22832 -36.2988 4.22829 0.759175 23.487 -36.2987 23.4871 1.71505 GPRESSAVG: 4477800 38.1537 3.65881 -35.4587 4.16772 1.81719 20.7662 -35.8597 24.1055 1.42118 TIMING: 4477800 CPU: 13298.6, 0.00296372/step Wall: 13298.6, 0.00296372/step, 0.429904 hours remaining, 209.839844 MB of memory in use. ENERGY: 4477800 734.8088 2112.5423 1925.4913 110.2894 -206593.0614 17963.7621 0.0000 0.0000 34184.4874 -149561.6801 298.5416 -183746.1675 -149472.0850 297.9427 180.9085 218.9666 556056.7212 13.7439 13.7974 PRESSURE: 4478000 -278.618 -39.5493 -81.1823 -39.5499 -56.581 41.3527 -81.1825 41.3532 -207.297 GPRESSURE: 4478000 -243.295 -17.5988 -82.7378 -46.9994 -42.5959 -12.3923 -100.733 128.593 -159.427 PRESSAVG: 4478000 3.94408 -37.8542 -45.2321 -37.8542 -14.5787 6.39863 -45.2321 6.39857 -10.1175 GPRESSAVG: 4478000 4.12406 -37.2961 -45.4774 -39.0795 -16.0332 5.72883 -45.3502 7.02998 -9.2046 TIMING: 4478000 CPU: 13299.2, 0.00295338/step Wall: 13299.2, 0.00295338/step, 0.42824 hours remaining, 209.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4478000 723.8241 2128.7236 1947.3312 122.7728 -206253.6625 17505.9676 0.0000 0.0000 34146.6810 -149678.3622 298.2115 -183825.0432 -149572.8565 297.9438 -180.8320 -148.4392 556502.2909 -6.9174 -7.0379 PRESSURE: 4478200 -241.073 -193.032 -61.4501 -193.03 -126.065 -12.7017 -61.4495 -12.7005 132.625 GPRESSURE: 4478200 -143.838 -196.958 -36.2457 -238.159 -106.105 2.40015 -41.16 34.9972 118.96 PRESSAVG: 4478200 48.9461 -1.22579 30.9415 -1.22578 -13.4776 12.2354 30.9415 12.2353 -13.6014 GPRESSAVG: 4478200 50.0643 0.217077 33.9779 -2.61286 -13.7684 14.2443 28.6481 14.3706 -14.5147 TIMING: 4478200 CPU: 13299.8, 0.00298283/step Wall: 13299.8, 0.00298283/step, 0.432344 hours remaining, 209.839844 MB of memory in use. ENERGY: 4478200 769.6136 2152.5098 1919.0919 109.7216 -206829.2843 17988.8959 0.0000 0.0000 34264.3076 -149625.1439 299.2387 -183889.4515 -149527.4847 298.1198 -78.1711 -43.6611 556446.8415 7.2890 7.2604 PRESSURE: 4478400 -21.3115 130.675 144.584 130.675 89.7639 36.4136 144.585 36.4138 64.7275 GPRESSURE: 4478400 23.0857 158.081 123.307 108.394 123.873 60.4963 158.786 113.345 63.1398 PRESSAVG: 4478400 2.11892 -41.4678 115.559 -41.4677 24.5713 11.6929 115.559 11.6931 4.55361 GPRESSAVG: 4478400 -0.152965 -42.6029 114.656 -39.7913 25.5711 12.2439 115.156 11.2084 6.08867 TIMING: 4478400 CPU: 13300.4, 0.00294809/step Wall: 13300.4, 0.00294809/step, 0.427146 hours remaining, 209.839844 MB of memory in use. ENERGY: 4478400 794.2700 2024.6376 1931.7095 115.1215 -206644.6410 18032.9531 0.0000 0.0000 34166.1766 -149579.7727 298.3817 -183745.9493 -149486.5219 299.1416 44.3933 70.0329 557045.4618 10.4146 10.5023 PRESSURE: 4478600 -31.41 -46.1494 -74.0451 -46.1502 -87.6845 -112.067 -74.0444 -112.067 -279.57 GPRESSURE: 4478600 -20.2754 -42.5473 -57.4486 -54.055 -51.7896 -113.371 -55.7093 -66.7704 -216.085 PRESSAVG: 4478600 -57.5732 -8.3138 33.7266 -8.31372 100.922 -35.638 33.7267 -35.638 -47.0086 GPRESSAVG: 4478600 -56.1604 -6.61198 33.2674 -10.0157 100.798 -35.9885 35.0537 -38.4069 -47.91 TIMING: 4478600 CPU: 13300.9, 0.0029591/step Wall: 13300.9, 0.0029591/step, 0.428577 hours remaining, 209.839844 MB of memory in use. ENERGY: 4478600 742.9445 2077.6502 1925.1586 113.4327 -206391.8323 17636.0370 0.0000 0.0000 34302.6254 -149593.9840 299.5734 -183896.6093 -149491.4107 298.7061 -132.8883 -96.0499 557534.8578 -1.2200 -1.0909 PRESSURE: 4478800 178.379 76.9637 210.428 76.9625 -169.079 -177.814 210.427 -177.814 63.8476 GPRESSURE: 4478800 190.513 24.3354 247.528 79.4779 -158.783 -204.242 166.2 -152.264 135.438 PRESSAVG: 4478800 66.4923 -35.246 31.2764 -35.2461 9.4745 -32.738 31.2765 -32.738 -59.3731 GPRESSAVG: 4478800 65.9931 -37.1917 30.5002 -34.6991 9.41633 -33.1857 31.1224 -32.4623 -59.1069 TIMING: 4478800 CPU: 13301.5, 0.00295203/step Wall: 13301.5, 0.00295203/step, 0.427388 hours remaining, 209.839844 MB of memory in use. ENERGY: 4478800 752.1756 2055.2384 1934.1538 114.9905 -206331.4759 17883.3348 0.0000 0.0000 34072.2014 -149519.3814 297.5610 -183591.5828 -149421.4586 298.3458 24.3829 55.7226 558267.5402 5.5312 5.4342 PRESSURE: 4479000 -93.6378 55.1324 51.7471 55.1327 155.409 -123.042 51.7473 -123.043 174.473 GPRESSURE: 4479000 -49.2791 24.0546 62.9039 95.8746 226.823 -78.5 93.8209 -174.709 141.876 PRESSAVG: 4479000 52.4674 -74.6264 13.2212 -74.6263 16.2737 4.18439 13.2211 4.18433 -77.5792 GPRESSAVG: 4479000 52.4162 -75.6969 14.6442 -74.2548 17.6724 5.64319 12.5111 5.12279 -78.5467 TIMING: 4479000 CPU: 13302.1, 0.00292272/step Wall: 13302.1, 0.00292272/step, 0.422982 hours remaining, 209.839844 MB of memory in use. ENERGY: 4479000 725.9030 2073.0225 1963.1408 111.8960 -206776.3205 18003.6204 0.0000 0.0000 34458.3141 -149440.4237 300.9330 -183898.7379 -149337.3758 298.7620 78.7482 106.4734 557929.3810 -2.9460 -2.8194 PRESSURE: 4479200 -103.874 -98.0611 -95.9366 -98.0609 -151.487 89.0795 -95.9359 89.0801 29.7084 GPRESSURE: 4479200 -48.3049 -139.76 -138.337 -100.455 -134.361 92.6307 -56.8179 106.523 60.172 PRESSAVG: 4479200 6.22796 -13.2349 25.3019 -13.2349 16.7943 -13.5144 25.3019 -13.5145 -2.56876 GPRESSAVG: 4479200 6.25033 -11.7839 24.8391 -12.935 16.2079 -14.0932 25.2911 -13.5613 -1.27934 TIMING: 4479200 CPU: 13302.7, 0.00291038/step Wall: 13302.7, 0.00291038/step, 0.421035 hours remaining, 209.839844 MB of memory in use. ENERGY: 4479200 721.9185 2131.8964 1975.1298 117.2336 -205928.7889 17661.0472 0.0000 0.0000 33917.6393 -149403.9242 296.2112 -183321.5634 -149306.8567 299.3757 -75.2177 -40.8313 559032.7359 6.8178 7.0596 PRESSURE: 4479400 77.7837 -17.4069 56.1697 -17.4064 -5.82233 101.148 56.1698 101.15 -211.222 GPRESSURE: 4479400 105.495 -4.69201 8.31246 -21.5207 36.4799 -21.258 -44.7661 42.5001 -182.811 PRESSAVG: 4479400 -62.2365 12.8765 32.6247 12.8764 26.0213 22.0509 32.6248 22.0508 11.2652 GPRESSAVG: 4479400 -61.8793 11.8808 33.3267 13.8656 25.9929 21.4338 32.7603 24.381 11.0485 TIMING: 4479400 CPU: 13303.3, 0.00292/step Wall: 13303.3, 0.00292/step, 0.422264 hours remaining, 209.839844 MB of memory in use. ENERGY: 4479400 735.4705 2131.2001 1957.8693 122.9739 -206389.7554 17905.0406 0.0000 0.0000 34058.2061 -149478.9949 297.4388 -183537.2010 -149379.2395 298.3749 -46.4204 -13.6118 560025.1098 -8.3167 -8.2793 PRESSURE: 4479600 126.914 -62.628 57.0513 -62.628 190.118 -178.144 57.0517 -178.144 -46.9277 GPRESSURE: 4479600 149.779 -114.41 33.6154 -78.5931 218.112 -45.0207 42.8366 -164.472 3.7857 PRESSAVG: 4479600 12.2139 -28.2721 9.26858 -28.2721 -2.20056 8.86256 9.26863 8.86251 9.00428 GPRESSAVG: 4479600 11.9827 -27.9636 8.89624 -29.0438 -2.71254 8.90757 10.6667 7.55395 9.29503 TIMING: 4479600 CPU: 13303.9, 0.00292276/step Wall: 13303.9, 0.00292276/step, 0.422501 hours remaining, 209.839844 MB of memory in use. ENERGY: 4479600 741.1052 2105.3816 1978.4104 111.7403 -206799.4112 18139.8153 0.0000 0.0000 34249.4749 -149473.4834 299.1092 -183722.9583 -149372.3954 298.4742 90.0347 123.8924 559313.8023 6.3392 6.1884 PRESSURE: 4479800 69.8964 43.2507 31.3956 43.2502 12.5754 21.6176 31.3955 21.617 -191.956 GPRESSURE: 4479800 66.958 -50.8534 19.8299 10.4939 36.9619 -15.2098 72.5689 6.61658 -136.354 PRESSAVG: 4479800 -24.1074 -30.3508 -14.0978 -30.3507 31.398 -4.17087 -14.0978 -4.17096 13.0129 GPRESSAVG: 4479800 -24.4671 -31.8532 -13.0321 -28.6574 32.4515 -4.31906 -15.8124 -4.46085 13.1456 TIMING: 4479800 CPU: 13304.5, 0.00294665/step Wall: 13304.5, 0.00294665/step, 0.425791 hours remaining, 209.839844 MB of memory in use. ENERGY: 4479800 696.8358 2078.1908 1938.7331 110.8245 -206190.5720 17787.9937 0.0000 0.0000 34210.8889 -149367.1052 298.7722 -183577.9941 -149266.7726 298.9081 -36.4948 -10.8113 558720.8811 6.7678 7.0433 PRESSURE: 4480000 2.34235 45.4059 108.435 45.4054 128.281 134.137 108.435 134.138 349.441 GPRESSURE: 4480000 62.5128 -12.3276 172.326 -0.969319 159.779 150.227 146.67 170.983 369.204 PRESSAVG: 4480000 -20.2329 -2.16489 25.8052 -2.16491 67.3498 31.3426 25.8052 31.3426 -5.6093 GPRESSAVG: 4480000 -20.2831 -2.01375 24.1382 -3.1866 67.7047 30.9408 26.9569 31.516 -5.29678 TIMING: 4480000 CPU: 13305, 0.00292633/step Wall: 13305, 0.00292633/step, 0.422692 hours remaining, 209.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4480000 733.4326 2054.6966 1954.9189 113.5978 -206653.6153 18154.2503 0.0000 0.0000 34185.0862 -149457.6330 298.5469 -183642.7192 -149355.8915 298.1777 160.0216 197.1650 557344.5832 13.8359 14.0416 PRESSURE: 4480200 -107.511 42.9754 140.008 42.9756 -149.703 -76.1978 140.007 -76.1969 171.697 GPRESSURE: 4480200 -26.1871 74.1297 241.069 -25.8111 -99.3889 -9.11601 91.0753 -110.108 139.363 PRESSAVG: 4480200 9.28141 -63.1348 33.9032 -63.1348 -2.11508 5.35225 33.9031 5.35226 4.63646 GPRESSAVG: 4480200 9.61295 -63.1938 35.614 -63.4101 -2.93629 6.0186 34.8019 5.06147 4.69184 TIMING: 4480200 CPU: 13305.6, 0.00293587/step Wall: 13305.6, 0.00293587/step, 0.423907 hours remaining, 209.839844 MB of memory in use. ENERGY: 4480200 719.9812 2107.0324 1955.7142 127.2966 -206306.2453 17751.0897 0.0000 0.0000 34245.4715 -149399.6597 299.0742 -183645.1311 -149303.7819 298.9576 -28.5058 4.5955 556328.3959 3.9343 3.7895 LDB: ============= START OF LOAD BALANCING ============== 13309.2 LDB: ============== END OF LOAD BALANCING =============== 13309.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13309.2 LDB: ============= START OF LOAD BALANCING ============== 13309.5 LDB: Largest compute 4809 load 0.021819 is 18.4% of average load 0.118293 LDB: Average compute 0.001737 is 1.5% of average load 0.118293 LDB: TIME 13309.5 LOAD: AVG 0.118293 MAX 0.197183 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.258 MB LDB: TIME 13309.5 LOAD: AVG 0.118293 MAX 0.197183 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.32 MB LDB: TIME 13309.5 LOAD: AVG 0.118293 MAX 0.197183 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.32 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13309.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13309.5 PRESSURE: 4480400 191.788 -20.6121 86.874 -20.6122 -166.897 42.8422 86.8743 42.8436 -171.145 GPRESSURE: 4480400 237.309 -83.596 194.45 -6.51738 -144.025 49.0387 38.1065 20.0979 -140.503 PRESSAVG: 4480400 -8.26295 -26.1666 55.2257 -26.1666 29.374 -27.4601 55.2256 -27.4601 -46.9352 GPRESSAVG: 4480400 -7.78544 -26.5698 54.6349 -24.3324 29.4515 -27.6644 54.9715 -26.9923 -47.6442 TIMING: 4480400 CPU: 13306.2, 0.00299872/step Wall: 13306.2, 0.00299872/step, 0.432816 hours remaining, 210.089844 MB of memory in use. ENERGY: 4480400 767.9462 2078.2789 1912.2527 115.7375 -206223.4530 17707.1168 0.0000 0.0000 34132.7243 -149509.3965 298.0896 -183642.1208 -149410.1002 298.6082 -48.7516 -15.7398 555786.9958 -8.6080 -8.6594 PRESSURE: 4480600 246.689 64.614 12.1541 64.6148 135.612 33.0043 12.1537 33.0029 6.75732 GPRESSURE: 4480600 218.874 82.9605 -53.9805 46.4576 192.876 35.2187 107.98 -46.0344 60.7197 PRESSAVG: 4480600 34.1488 35.2061 3.06178 35.2061 81.1449 29.9178 3.06187 29.918 -47.8383 GPRESSAVG: 4480600 33.8132 38.5393 0.817586 32.8863 80.5899 30.4021 2.34511 28.8394 -46.9936 TIMING: 4480600 CPU: 13306.8, 0.0029431/step Wall: 13306.8, 0.0029431/step, 0.424624 hours remaining, 210.484375 MB of memory in use. ENERGY: 4480600 752.2319 2155.3965 1909.7315 105.1427 -206797.1202 18077.0072 0.0000 0.0000 34424.0363 -149373.5742 300.6337 -183797.6105 -149279.3966 299.0753 129.6860 157.4898 556194.1789 22.4852 22.4699 PRESSURE: 4480800 -68.8649 161.411 11.6785 161.41 27.9752 -46.6305 11.6781 -46.632 2.6141 GPRESSURE: 4480800 -67.0899 207.072 -17.6902 144.705 71.4514 -75.1117 97.4639 17.3287 49.8244 PRESSAVG: 4480800 -13.1674 20.175 -0.118858 20.1751 64.9008 20.2894 -0.118923 20.2894 -57.6623 GPRESSAVG: 4480800 -13.7117 19.0376 2.56519 21.6817 64.3436 19.1345 -0.0536849 22.3007 -56.6111 TIMING: 4480800 CPU: 13307.4, 0.00293475/step Wall: 13307.4, 0.00293475/step, 0.423256 hours remaining, 210.484375 MB of memory in use. ENERGY: 4480800 799.9293 2137.5109 1966.3307 117.7107 -206453.4124 17825.3168 0.0000 0.0000 34375.9112 -149230.7028 300.2134 -183606.6140 -149132.4233 298.7694 -12.7585 18.0620 554444.4277 -1.9763 -1.9931 PRESSURE: 4481000 -133.656 113.355 -186.882 113.354 -344.475 -54.8356 -186.884 -54.8366 -293.451 GPRESSURE: 4481000 -121.63 104.174 -126.796 59.1532 -291.22 -10.8076 -232.54 -38.468 -259.167 PRESSAVG: 4481000 39.361 -0.0363302 6.55367 -0.0363856 8.97619 39.5696 6.55365 39.5695 -37.2055 GPRESSAVG: 4481000 40.5137 -0.311955 6.62456 0.58688 8.19237 37.445 6.27007 40.2429 -37.1561 TIMING: 4481000 CPU: 13308, 0.00293939/step Wall: 13308, 0.00293939/step, 0.423761 hours remaining, 210.484375 MB of memory in use. ENERGY: 4481000 745.1439 2108.4520 1951.4164 110.9656 -205776.2409 17357.9285 0.0000 0.0000 34211.4782 -149290.8563 298.7773 -183502.3345 -149193.9584 299.6535 -257.1944 -224.0057 557041.4342 3.7106 3.8500 PRESSURE: 4481200 -85.1217 -25.5699 153.445 -25.5697 -119.566 25.8721 153.444 25.8729 -159.665 GPRESSURE: 4481200 -56.9055 4.77034 73.4223 -66.319 -69.7921 73.4262 216.297 -11.2653 -135.035 PRESSAVG: 4481200 -48.3603 -39.4695 -7.38789 -39.4694 21.4427 0.859734 -7.38782 0.859735 -30.9594 GPRESSAVG: 4481200 -49.2017 -38.3343 -9.33691 -41.6634 22.2935 4.57278 -5.42761 -1.88231 -30.3401 TIMING: 4481200 CPU: 13308.6, 0.00294124/step Wall: 13308.6, 0.00294124/step, 0.423866 hours remaining, 210.484375 MB of memory in use. ENERGY: 4481200 743.0202 2075.2449 1941.1261 107.0458 -205996.7148 17497.6729 0.0000 0.0000 34292.1045 -149340.5004 299.4815 -183632.6049 -149233.0372 299.6797 -121.4508 -87.2443 556303.7161 -19.2923 -19.0828 PRESSURE: 4481400 91.9418 -53.6761 108.047 -53.6755 -74.6833 -260.695 108.048 -260.695 147.958 GPRESSURE: 4481400 201.105 -62.8445 195.041 -108.69 -103.672 -294.167 80.9665 -234.017 164.399 PRESSAVG: 4481400 45.2488 13.1209 38.3972 13.1209 -5.06141 -13.9126 38.3971 -13.9126 -23.7958 GPRESSAVG: 4481400 46.7341 12.0767 40.3409 12.9161 -5.33198 -16.2472 37.5329 -11.3088 -24.8874 TIMING: 4481400 CPU: 13309.2, 0.00294365/step Wall: 13309.2, 0.00294365/step, 0.424049 hours remaining, 210.484375 MB of memory in use. ENERGY: 4481400 772.7074 2125.5508 1900.7863 113.5305 -206600.3336 18091.6481 0.0000 0.0000 34096.4149 -149499.6956 297.7725 -183596.1106 -149404.6905 298.7784 55.0721 87.2774 557815.5351 5.4639 5.5049 PRESSURE: 4481600 -29.4668 -76.4405 -96.9176 -76.44 357.408 26.3421 -96.9171 26.342 -34.2947 GPRESSURE: 4481600 -14.3047 -128.118 -33.6555 -125.88 373.187 51.3635 -156.296 -14.0414 23.5687 PRESSAVG: 4481600 23.3641 -48.347 50.8576 -48.3469 -13.3103 63.0914 50.8577 63.0915 16.6936 GPRESSAVG: 4481600 22.9951 -49.2439 50.6743 -47.7427 -12.7137 63.9537 50.407 61.6795 16.9734 TIMING: 4481600 CPU: 13309.8, 0.00292052/step Wall: 13309.8, 0.00292052/step, 0.420555 hours remaining, 210.484375 MB of memory in use. ENERGY: 4481600 718.8546 2106.3861 1885.8276 111.9445 -206460.2642 17982.3009 0.0000 0.0000 34184.9767 -149469.9737 298.5459 -183654.9504 -149374.3592 298.0666 97.8822 127.4837 558020.3661 8.9158 9.0849 PRESSURE: 4481800 67.1154 96.9584 -5.74751 96.9583 -202.826 35.1462 -5.74745 35.1471 244.067 GPRESSURE: 4481800 127.35 65.2715 -23.749 98.5084 -161.799 10.1183 26.865 0.860089 239.73 PRESSAVG: 4481800 -0.76911 6.9918 12.4275 6.99176 -8.85322 -4.33321 12.4276 -4.33324 2.15421 GPRESSAVG: 4481800 0.0252947 9.36689 12.2511 6.09638 -8.98248 -4.8848 12.0154 -5.6868 1.87506 TIMING: 4481800 CPU: 13310.3, 0.00296497/step Wall: 13310.3, 0.00296497/step, 0.426791 hours remaining, 210.484375 MB of memory in use. ENERGY: 4481800 727.0997 2052.7310 1940.4814 106.3386 -206340.9241 17890.0235 0.0000 0.0000 34303.6719 -149320.5780 299.5825 -183624.2499 -149220.5917 298.7142 36.1187 68.4268 556392.6633 -2.4894 -2.3607 PRESSURE: 4482000 115.597 -219.426 161.787 -219.426 120.882 107.632 161.787 107.631 125.074 GPRESSURE: 4482000 124.778 -196.664 95.6251 -178.853 172.218 91.2088 146.165 73.559 169.271 PRESSAVG: 4482000 50.6021 -43.9826 6.75383 -43.9826 -18.4613 -5.80699 6.75385 -5.80711 -25.3607 GPRESSAVG: 4482000 49.1148 -44.2597 5.97672 -41.9792 -18.4468 -5.30545 6.59999 -7.18288 -23.8587 TIMING: 4482000 CPU: 13310.9, 0.00295265/step Wall: 13310.9, 0.00295265/step, 0.424853 hours remaining, 210.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4482000 784.8524 2061.6241 1916.3195 96.6248 -206599.2261 18168.5238 0.0000 0.0000 34380.8983 -149190.3833 300.2569 -183571.2815 -149098.6860 299.2980 120.5178 155.4221 557344.9292 2.2600 2.2698 PRESSURE: 4482200 -212.723 52.7691 -137.825 52.7697 -177.788 122.411 -137.826 122.411 -153.336 GPRESSURE: 4482200 -164.734 142.514 -78.1921 -51.4557 -151.487 133.571 -154.028 218.121 -130.775 PRESSAVG: 4482200 -11.491 -53.4015 28.2559 -53.4014 -52.178 37.372 28.2559 37.372 38.5938 GPRESSAVG: 4482200 -10.8424 -55.0817 27.0599 -53.6457 -52.5856 37.4 29.9668 40.2548 38.1745 TIMING: 4482200 CPU: 13311.5, 0.00293859/step Wall: 13311.5, 0.00293859/step, 0.422666 hours remaining, 210.484375 MB of memory in use. ENERGY: 4482200 760.1740 2111.7941 1911.4026 107.5436 -206333.4884 17742.9712 0.0000 0.0000 34221.4604 -149478.1425 298.8645 -183699.6029 -149376.3061 299.6122 -181.2823 -148.9988 557839.0044 -8.3584 -8.4178 PRESSURE: 4482400 -287.425 -67.7606 50.5194 -67.7592 -30.1457 85.5704 50.5188 85.5701 -97.541 GPRESSURE: 4482400 -221.147 -78.2312 91.7324 -100.328 -43.3301 65.9556 46.5982 174.527 -60.4872 PRESSAVG: 4482400 -7.46265 -14.9138 -1.54613 -14.9138 43.1955 22.1116 -1.54612 22.1115 -48.0508 GPRESSAVG: 4482400 -8.84021 -15.2449 0.82594 -15.5472 43.5157 22.5606 -2.24121 22.2616 -47.8363 TIMING: 4482400 CPU: 13312.1, 0.00295427/step Wall: 13312.1, 0.00295427/step, 0.424758 hours remaining, 210.484375 MB of memory in use. ENERGY: 4482400 750.7553 2088.9736 1937.1894 110.8754 -206399.8425 17885.8962 0.0000 0.0000 34038.6008 -149587.5517 297.2676 -183626.1525 -149498.0493 298.2301 -138.3706 -108.3214 557681.0528 -4.1060 -4.3870 PRESSURE: 4482600 -194.75 37.9684 -112.42 37.9687 135.846 19.481 -112.419 19.4803 -53.164 GPRESSURE: 4482600 -127.308 42.9447 -83.7897 67.6522 150.571 -20.3065 -215.053 3.42117 -28.284 PRESSAVG: 4482600 -66.874 32.6079 -6.57065 32.6079 43.9817 -32.4016 -6.57061 -32.4017 33.911 GPRESSAVG: 4482600 -65.3242 33.7601 -10.4043 35.0706 44.362 -32.4297 -5.11919 -32.7096 31.9989 TIMING: 4482600 CPU: 13312.7, 0.00297593/step Wall: 13312.7, 0.00297593/step, 0.427708 hours remaining, 210.484375 MB of memory in use. ENERGY: 4482600 730.7026 2074.4442 1968.4275 106.8589 -206300.1661 17765.2128 0.0000 0.0000 34131.3000 -149523.2200 298.0771 -183654.5200 -149428.2459 298.6973 -37.3562 -1.6736 557479.0710 3.6729 3.6789 PRESSURE: 4482800 106.683 39.8817 -111.545 39.8821 -108.139 -23.1824 -111.545 -23.1826 -147.346 GPRESSURE: 4482800 70.9102 62.8026 -30.6803 60.6893 -19.286 -45.3011 -166.601 7.357 -109.772 PRESSAVG: 4482800 43.1319 -9.66182 -19.8909 -9.66183 17.0207 -24.4995 -19.8909 -24.4995 -58.1353 GPRESSAVG: 4482800 43.4476 -10.3367 -16.9651 -10.6573 16.1487 -24.1913 -20.6289 -25.4831 -57.5941 TIMING: 4482800 CPU: 13313.3, 0.00294219/step Wall: 13313.3, 0.00294219/step, 0.422695 hours remaining, 210.484375 MB of memory in use. ENERGY: 4482800 705.6047 2058.5876 1915.9198 113.0660 -206047.4842 17763.4843 0.0000 0.0000 34011.4233 -149479.3984 297.0302 -183490.8218 -149387.9094 298.9249 -49.6005 -19.3826 557698.3721 0.6724 0.6674 PRESSURE: 4483000 -43.511 -84.164 -332.777 -84.1644 -79.8335 53.0354 -332.776 53.0352 114.999 GPRESSURE: 4483000 -0.469392 -14.0868 -370.609 -45.8331 -69.3138 45.0835 -194.292 25.4126 155.555 PRESSAVG: 4483000 47.0625 3.97357 -18.0476 3.97364 -40.3016 65.1386 -18.0476 65.1386 -1.10421 GPRESSAVG: 4483000 46.4496 4.73125 -16.8841 2.13917 -39.6663 66.1675 -20.1634 64.0738 -1.06289 TIMING: 4483000 CPU: 13313.9, 0.00291341/step Wall: 13313.9, 0.00291341/step, 0.418397 hours remaining, 210.484375 MB of memory in use. ENERGY: 4483000 770.0113 2059.2768 1933.7738 103.4208 -206533.4774 17834.9327 0.0000 0.0000 34386.6992 -149445.3627 300.3076 -183832.0620 -149345.0810 298.6590 -2.7817 28.5906 556282.2339 1.8856 1.9068 PRESSURE: 4483200 153.122 -1.11156 7.22008 -1.10966 -3.59756 -10.5506 7.219 -10.552 -114.389 GPRESSURE: 4483200 170.411 -39.8603 55.2722 -24.748 63.1407 -1.94356 22.8337 32.8321 -97.3784 PRESSAVG: 4483200 3.09345 -21.4645 -42.3424 -21.4645 64.0911 67.2654 -42.3424 67.2653 -33.1469 GPRESSAVG: 4483200 3.37635 -20.9019 -44.0401 -20.0649 63.0662 66.1048 -38.7535 68.0098 -32.1992 TIMING: 4483200 CPU: 13314.5, 0.00293362/step Wall: 13314.5, 0.00293362/step, 0.421138 hours remaining, 210.484375 MB of memory in use. ENERGY: 4483200 728.8021 2119.8682 1931.3432 111.6850 -206184.7790 17821.0273 0.0000 0.0000 34114.3903 -149357.6628 297.9295 -183472.0531 -149257.7192 298.7794 11.7119 45.3912 556658.8615 11.3459 11.4145 PRESSURE: 4483400 99.998 182.917 -137.801 182.918 -115.137 75.6542 -137.801 75.6548 -61.8565 GPRESSURE: 4483400 90.6588 97.9057 -111.835 240.113 -65.4528 -13.1714 -138.369 123.768 -17.0198 PRESSAVG: 4483400 -29.604 59.1523 -17.3165 59.1523 -23.6942 20.8614 -17.3165 20.8613 30.061 GPRESSAVG: 4483400 -29.2474 59.8784 -17.0336 57.3362 -22.9352 21.1839 -18.7605 20.9191 29.0622 TIMING: 4483400 CPU: 13315.1, 0.00294356/step Wall: 13315.1, 0.00294356/step, 0.422401 hours remaining, 210.484375 MB of memory in use. ENERGY: 4483400 754.9829 2085.9943 1941.7450 118.0278 -206223.2407 17845.8455 0.0000 0.0000 34105.6661 -149370.9791 297.8533 -183476.6452 -149279.4117 298.7126 -25.6653 2.7288 557711.0435 -7.7457 -7.7068 PRESSURE: 4483600 97.0835 294.142 -16.7217 294.141 310.258 -8.07995 -16.7219 -8.0798 -69.055 GPRESSURE: 4483600 91.3175 271.211 -49.6836 363.839 312.33 -21.1759 52.4189 -29.5388 24.8869 PRESSAVG: 4483600 24.2157 1.24775 -12.4735 1.24777 28.2697 5.72034 -12.4735 5.72045 -63.4521 GPRESSAVG: 4483600 24.4947 0.32153 -10.2043 4.8083 27.4828 5.66156 -11.6889 6.08527 -62.8595 TIMING: 4483600 CPU: 13315.6, 0.00293703/step Wall: 13315.6, 0.00293703/step, 0.421301 hours remaining, 210.484375 MB of memory in use. ENERGY: 4483600 768.9472 2136.7144 1934.1137 104.8908 -206335.3776 17974.2418 0.0000 0.0000 34200.5187 -149215.9510 298.6816 -183416.4696 -149117.7459 298.6884 112.7621 142.8450 557088.6316 -3.6556 -3.6273 PRESSURE: 4483800 30.9561 27.8498 208.123 27.8502 -173.569 -164.655 208.123 -164.657 268.602 GPRESSURE: 4483800 57.3328 31.3563 273.396 26.7742 -78.4524 -27.7332 198.84 -264.82 237.041 PRESSAVG: 4483800 40.6576 33.9116 61.3808 33.9117 49.1602 2.21549 61.3807 2.21548 -37.4757 GPRESSAVG: 4483800 41.7157 34.2935 59.4778 32.4376 49.3838 1.88034 59.43 1.65235 -38.6051 TIMING: 4483800 CPU: 13316.2, 0.00295894/step Wall: 13316.2, 0.00295893/step, 0.424278 hours remaining, 210.484375 MB of memory in use. ENERGY: 4483800 786.8643 2134.7546 1942.0652 125.1656 -206067.3812 17934.3894 0.0000 0.0000 34018.5421 -149125.6000 297.0924 -183144.1421 -149027.5036 298.7660 41.9963 71.9738 557937.7160 17.4474 17.4982 PRESSURE: 4484000 -40.1872 62.3356 75.1512 62.3346 -46.6712 -94.7386 75.1514 -94.7385 12.7066 GPRESSURE: 4484000 27.5939 25.0619 13.128 100.731 -52.5378 -167.298 70.4774 -84.2266 37.4694 PRESSAVG: 4484000 54.1011 36.7177 60.7481 36.7177 -45.201 -10.4922 60.7481 -10.4922 -19.0108 GPRESSAVG: 4484000 53.1225 36.4774 61.508 37.5302 -45.6018 -10.8462 61.9142 -11.5113 -18.3733 TIMING: 4484000 CPU: 13316.8, 0.00296808/step Wall: 13316.8, 0.00296808/step, 0.425425 hours remaining, 210.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4484000 757.5630 2075.5126 1934.1230 105.6986 -206128.8585 17943.7174 0.0000 0.0000 34206.7891 -149105.4547 298.7364 -183312.2439 -149002.7989 299.6081 -24.7172 4.1752 557576.0282 -3.3702 -3.6175 PRESSURE: 4484200 -41.0298 2.12329 -42.268 2.12465 156.064 47.4426 -42.267 47.443 -148.513 GPRESSURE: 4484200 -26.8858 43.1492 10.1307 -59.1373 164.162 18.5876 -16.5924 42.1903 -91.7326 PRESSAVG: 4484200 -13.3185 -3.78433 3.34386 -3.78428 -4.40393 9.79516 3.3438 9.79513 -34.4719 GPRESSAVG: 4484200 -13.5738 -5.60805 3.89889 -3.87137 -4.1305 10.9072 2.04964 8.91617 -34.6436 TIMING: 4484200 CPU: 13317.4, 0.00294855/step Wall: 13317.4, 0.00294855/step, 0.422462 hours remaining, 210.554688 MB of memory in use. ENERGY: 4484200 763.4647 2128.9984 1917.8455 115.2088 -206235.0941 17906.1043 0.0000 0.0000 34308.3593 -149095.1131 299.6234 -183403.4724 -149004.2749 299.7911 -11.1595 15.1813 558405.7350 -17.3981 -17.4493 LDB: ============= START OF LOAD BALANCING ============== 13321 LDB: ============== END OF LOAD BALANCING =============== 13321 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13321 LDB: ============= START OF LOAD BALANCING ============== 13321.3 LDB: Largest compute 4772 load 0.021601 is 18.3% of average load 0.118175 LDB: Average compute 0.001738 is 1.5% of average load 0.118175 LDB: TIME 13321.3 LOAD: AVG 0.118175 MAX 0.195791 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.609 MB LDB: TIME 13321.3 LOAD: AVG 0.118175 MAX 0.195791 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.609 MB LDB: TIME 13321.3 LOAD: AVG 0.118175 MAX 0.195791 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13321.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13321.3 PRESSURE: 4484400 221.322 163.157 -2.31171 163.158 -71.3759 -29.1593 -2.31145 -29.1576 -33.6875 GPRESSURE: 4484400 234.419 152.462 14.0705 180.505 14.2375 -109.62 -21.6865 1.15114 -35.7082 PRESSAVG: 4484400 -16.6764 41.2662 -54.0174 41.2661 18.333 -1.9384 -54.0174 -1.93834 9.45306 GPRESSAVG: 4484400 -16.4418 43.5455 -54.0699 41.1397 18.2457 -3.07122 -54.7397 1.88426 9.00353 TIMING: 4484400 CPU: 13318, 0.00298327/step Wall: 13318, 0.00298327/step, 0.427271 hours remaining, 207.839844 MB of memory in use. ENERGY: 4484400 696.5072 2154.7126 1916.2976 132.9851 -205879.7778 17639.3564 0.0000 0.0000 34081.2439 -149258.6750 297.6400 -183339.9188 -149157.3676 299.6006 38.7529 70.9829 557357.5720 3.7032 3.6025 PRESSURE: 4484600 -258.765 96.1966 -169.585 96.1945 -158.414 -47.9148 -169.586 -47.9134 -176.359 GPRESSURE: 4484600 -177.21 91.5666 -171.265 65.6306 -131.441 35.2187 -149.867 -68.7438 -182.807 PRESSAVG: 4484600 55.8012 11.2727 -38.3319 11.2727 -71.7157 -3.00571 -38.332 -3.00564 37.1547 GPRESSAVG: 4484600 55.0919 9.83698 -39.4387 11.0429 -70.6347 -2.67973 -38.9405 -5.9902 37.5789 TIMING: 4484600 CPU: 13318.6, 0.0029599/step Wall: 13318.6, 0.0029599/step, 0.423759 hours remaining, 207.839844 MB of memory in use. ENERGY: 4484600 733.1507 2070.8135 1918.0338 112.4926 -205819.7332 17415.8478 0.0000 0.0000 34175.2629 -149394.1320 298.4611 -183569.3949 -149293.3272 298.9759 -197.8462 -163.8194 558676.3224 7.0801 7.3454 PRESSURE: 4484800 -233.244 -99.4513 -71.5817 -99.4516 -45.1613 -195.005 -71.5802 -195.006 -26.1703 GPRESSURE: 4484800 -220.927 68.0479 -123.353 -191.934 55.7342 -226.12 -75.0939 -134.887 -44.6752 PRESSAVG: 4484800 0.209377 -14.6253 -21.9449 -14.6252 -10.2513 21.1079 -21.9449 21.1079 -11.7469 GPRESSAVG: 4484800 1.06754 -12.3379 -21.3059 -15.1529 -10.8296 20.7943 -21.0174 20.918 -12.2811 TIMING: 4484800 CPU: 13319.2, 0.00296338/step Wall: 13319.2, 0.00296338/step, 0.424092 hours remaining, 207.839844 MB of memory in use. ENERGY: 4484800 740.8254 2134.4540 1920.3402 101.3664 -206257.0392 17663.5733 0.0000 0.0000 34533.5667 -149162.9131 301.5902 -183696.4798 -149074.5753 299.1234 -101.5251 -69.9559 557943.3720 -7.2630 -7.3477 PRESSURE: 4485000 54.1366 89.9926 -8.13275 89.9921 145.072 30.507 -8.13174 30.5067 -73.7881 GPRESSURE: 4485000 75.973 39.5276 16.6978 72.5013 138.951 73.1935 -47.4754 -0.310576 -4.71581 PRESSAVG: 4485000 -48.2374 25.3881 -55.9366 25.3881 92.0975 -66.5227 -55.9366 -66.5224 -77.1065 GPRESSAVG: 4485000 -48.7641 22.8988 -55.9673 27.9936 92.3995 -66.904 -55.3803 -66.4376 -77.5901 TIMING: 4485000 CPU: 13319.8, 0.00293136/step Wall: 13319.8, 0.00293136/step, 0.419347 hours remaining, 207.839844 MB of memory in use. ENERGY: 4485000 768.9157 2109.7454 1920.5753 121.8172 -206817.7152 18131.3129 0.0000 0.0000 34334.2182 -149431.1305 299.8493 -183765.3487 -149335.3476 299.2040 41.8070 70.0695 558093.3140 -11.0821 -11.3182 PRESSURE: 4485200 -74.8937 7.98098 -79.3222 7.98025 131.528 -123.594 -79.3218 -123.591 -59.6006 GPRESSURE: 4485200 -77.4305 -38.7563 7.76263 11.492 161.39 -97.8618 -95.0647 -64.7845 -5.98203 PRESSAVG: 4485200 22.3723 20.0471 -60.4626 20.0471 56.8834 23.6199 -60.4626 23.6199 -56.5523 GPRESSAVG: 4485200 23.1409 22.5103 -60.1164 17.8215 56.1445 23.4171 -59.7548 23.9703 -56.2463 TIMING: 4485200 CPU: 13320.4, 0.00291875/step Wall: 13320.4, 0.00291875/step, 0.417381 hours remaining, 207.839844 MB of memory in use. ENERGY: 4485200 726.5976 2126.8542 1926.8312 115.7696 -206358.9418 17842.5175 0.0000 0.0000 34195.7237 -149424.6480 298.6398 -183620.3718 -149329.0418 299.1032 -0.9887 25.9924 556558.1037 7.5678 7.6797 PRESSURE: 4485400 -184.97 19.6263 11.0496 19.627 109.268 211.863 11.0495 211.863 -130.069 GPRESSURE: 4485400 -121.268 -13.3549 108.233 112.8 144.898 230.56 10.2825 200.08 -140.226 PRESSAVG: 4485400 -20.9504 -4.25919 5.1703 -4.25925 53.0095 18.2432 5.17035 18.2432 -90.8055 GPRESSAVG: 4485400 -21.4701 -7.08618 4.26123 -2.2935 53.2271 18.6794 5.36163 19.4958 -90.6804 TIMING: 4485400 CPU: 13321, 0.0029417/step Wall: 13321, 0.0029417/step, 0.4205 hours remaining, 207.839844 MB of memory in use. ENERGY: 4485400 771.9198 2158.3829 1883.6934 104.4641 -206445.2939 17853.7506 0.0000 0.0000 34104.0601 -149569.0230 297.8392 -183673.0831 -149476.5344 298.2972 -68.5905 -38.8656 556860.2853 -19.5821 -19.6412 PRESSURE: 4485600 148.205 20.3014 -209.013 20.3001 -18.9175 15.0849 -209.013 15.0836 1.89495 GPRESSURE: 4485600 229.662 38.8732 -175.708 0.157881 20.877 26.6477 -150.293 -37.4493 -11.7845 PRESSAVG: 4485600 -66.2501 -17.4554 -94.5188 -17.4556 58.8462 12.3575 -94.5189 12.3574 5.91405 GPRESSAVG: 4485600 -66.2501 -16.0522 -94.5306 -19.4661 59.1859 13.8374 -94.2879 12.3172 5.69726 TIMING: 4485600 CPU: 13321.5, 0.00293357/step Wall: 13321.5, 0.00293357/step, 0.419175 hours remaining, 207.839844 MB of memory in use. ENERGY: 4485600 730.2569 2071.5081 1922.1887 111.1254 -206963.7345 17995.0816 0.0000 0.0000 34529.4127 -149604.1611 301.5539 -184133.5739 -149502.7945 298.4847 43.7276 79.5850 556503.5967 -0.4966 -0.4556 PRESSURE: 4485800 175.746 47.8476 -116.397 47.8464 -278.849 -9.47171 -116.398 -9.47221 -206.371 GPRESSURE: 4485800 155.578 39.1872 30.2968 54.3051 -191.481 15.0728 -154.104 -52.6597 -180.939 PRESSAVG: 4485800 30.8068 80.7521 -44.7718 80.7521 4.45201 -30.9061 -44.7717 -30.9061 -15.599 GPRESSAVG: 4485800 29.8981 81.672 -41.124 80.495 5.06468 -31.4406 -46.3057 -32.2108 -15.5786 TIMING: 4485800 CPU: 13322.1, 0.00291572/step Wall: 13322.1, 0.00291572/step, 0.416461 hours remaining, 207.839844 MB of memory in use. ENERGY: 4485800 727.5528 2115.8193 1932.3094 122.9623 -206151.6498 17585.0672 0.0000 0.0000 33981.9984 -149685.9404 296.7732 -183667.9388 -149582.1521 298.1615 -103.1582 -72.2805 557886.9539 6.5533 6.4614 PRESSURE: 4486000 7.5819 -13.1722 -69.991 -13.1723 -5.16869 -129.773 -69.991 -129.774 -15.4817 GPRESSURE: 4486000 48.6748 -20.0026 -142.858 -56.618 -19.8498 -133.825 -41.9397 -217.765 44.3711 PRESSAVG: 4486000 43.0219 25.9218 -3.28421 25.9218 -28.1008 -21.8936 -3.28411 -21.8937 1.31377 GPRESSAVG: 4486000 43.9963 28.1207 -6.67387 25.5213 -28.7356 -23.3233 -1.92623 -21.1211 0.848553 TIMING: 4486000 CPU: 13322.7, 0.0029438/step Wall: 13322.7, 0.0029438/step, 0.420309 hours remaining, 207.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4486000 727.0495 2119.6703 1918.8229 106.4777 -206283.7814 17714.4980 0.0000 0.0000 33958.2177 -149739.0452 296.5656 -183697.2629 -149648.4235 297.9749 -4.3562 24.3987 557130.4094 5.4116 5.3698 PRESSURE: 4486200 141.904 118.552 96.1376 118.553 -101.591 14.4538 96.139 14.4536 113.969 GPRESSURE: 4486200 189.605 87.2117 111.707 125.785 -30.4781 67.6218 47.7677 -6.31011 103.748 PRESSAVG: 4486200 49.9265 30.3331 30.3055 30.333 -80.5513 53.556 30.3056 53.5559 22.6839 GPRESSAVG: 4486200 49.8361 27.4565 29.821 28.6381 -80.1533 52.1016 31.2221 54.0001 22.7148 TIMING: 4486200 CPU: 13323.3, 0.00292598/step Wall: 13323.3, 0.00292598/step, 0.417603 hours remaining, 207.839844 MB of memory in use. ENERGY: 4486200 733.3376 2131.5359 1925.3008 112.7015 -206720.9392 17931.2544 0.0000 0.0000 34170.7039 -149716.1051 298.4213 -183886.8090 -149618.7642 297.8561 51.4274 87.6250 557105.7351 -2.6470 -2.5341 PRESSURE: 4486400 14.1685 132.297 69.9032 132.297 -318.865 -108.578 69.9038 -108.578 -335.081 GPRESSURE: 4486400 47.99 136.691 188.077 73.1487 -327.611 -141.605 -16.9485 -63.3474 -262.735 PRESSAVG: 4486400 -15.4583 33.1008 55.688 33.1009 0.883035 6.51111 55.6879 6.51102 12.2801 GPRESSAVG: 4486400 -14.6171 32.9976 56.0337 34.955 1.06589 7.83169 55.6509 8.0277 11.4596 TIMING: 4486400 CPU: 13323.9, 0.00296075/step Wall: 13323.9, 0.00296075/step, 0.4224 hours remaining, 207.839844 MB of memory in use. ENERGY: 4486400 757.4591 2094.1674 1914.8432 119.8825 -206073.5404 17488.5421 0.0000 0.0000 34123.5290 -149575.1171 298.0093 -183698.6461 -149482.0661 298.3210 -213.2592 -180.7854 557702.4187 -0.7650 -0.6972 PRESSURE: 4486600 249.501 3.90848 127.867 3.90936 -4.38101 -15.8909 127.867 -15.8913 51.5051 GPRESSURE: 4486600 273.839 10.6544 174.541 97.029 6.92136 1.31656 204.614 0.46969 104.477 PRESSAVG: 4486600 30.4172 85.4321 -19.9704 85.4322 -48.4381 13.9754 -19.9704 13.9754 40.8087 GPRESSAVG: 4486600 30.0762 86.1434 -18.7954 85.2669 -49.5697 12.9989 -20.8539 10.8653 42.0588 TIMING: 4486600 CPU: 13324.5, 0.00295251/step Wall: 13324.5, 0.00295251/step, 0.421061 hours remaining, 207.839844 MB of memory in use. ENERGY: 4486600 764.0261 2029.7084 1946.8924 94.9387 -206282.4869 17901.9711 0.0000 0.0000 33886.6438 -149658.3064 295.9405 -183544.9502 -149557.2787 298.6566 98.8749 128.4126 555896.8975 7.5960 7.5218 PRESSURE: 4486800 15.3007 171.531 -6.73792 171.531 -253.659 -22.9408 -6.73729 -22.939 -105.79 GPRESSURE: 4486800 126.6 113.298 24.8356 205.641 -261.387 -29.2518 -105.191 -12.3046 -115.993 PRESSAVG: 4486800 66.4134 24.868 20.2447 24.8679 -4.77077 29.7752 20.2448 29.775 -20.7637 GPRESSAVG: 4486800 66.159 24.8612 19.0008 24.2568 -3.7023 30.6713 22.3337 30.584 -20.9899 TIMING: 4486800 CPU: 13325.1, 0.0029475/step Wall: 13325.1, 0.00294751/step, 0.420183 hours remaining, 207.839844 MB of memory in use. ENERGY: 4486800 721.6852 2088.0594 1933.3480 109.3637 -206296.7317 17636.0973 0.0000 0.0000 34132.2264 -149675.9516 298.0852 -183808.1781 -149581.3178 298.4853 -114.7161 -83.5935 555284.8142 13.6263 13.8223 PRESSURE: 4487000 176.415 177.72 -113.397 177.72 -228.454 16.8099 -113.397 16.8089 -119.701 GPRESSURE: 4487000 163.188 209.881 -59.4645 137.709 -150.183 -7.70594 -51.3702 61.3641 -78.4089 PRESSAVG: 4487000 29.4481 27.5271 -28.8241 27.5271 -50.2545 41.4193 -28.824 41.4193 19.825 GPRESSAVG: 4487000 29.9637 27.0759 -28.5386 26.9905 -49.7774 40.8963 -29.367 41.6146 19.0267 TIMING: 4487000 CPU: 13325.7, 0.00293407/step Wall: 13325.7, 0.00293407/step, 0.418105 hours remaining, 207.839844 MB of memory in use. ENERGY: 4487000 722.8792 2129.5179 1913.3211 115.6494 -206378.8966 17707.3773 0.0000 0.0000 34154.1551 -149635.9966 298.2767 -183790.1517 -149536.6294 297.8894 -57.2466 -21.8015 555587.2351 -0.3272 -0.2623 PRESSURE: 4487200 -39.7943 107.159 -22.6082 107.158 -92.2728 -197.62 -22.6078 -197.621 -63.4661 GPRESSURE: 4487200 20.3304 72.2465 -4.32616 58.6975 -46.1481 -225.231 -123.27 -103.429 -73.2619 PRESSAVG: 4487200 48.0404 12.3884 12.0211 12.3884 -24.2807 5.1888 12.0212 5.18882 -21.8568 GPRESSAVG: 4487200 46.9338 12.6222 11.2939 14.4883 -24.3164 6.43715 10.6059 4.49207 -20.8642 TIMING: 4487200 CPU: 13326.3, 0.00294339/step Wall: 13326.3, 0.00294339/step, 0.41927 hours remaining, 207.839844 MB of memory in use. ENERGY: 4487200 747.5119 2104.1159 1908.0101 121.8105 -206442.9622 17701.3597 0.0000 0.0000 34382.5696 -149477.5845 300.2715 -183860.1541 -149384.0961 298.8290 -65.1778 -33.0265 556233.8933 0.6343 0.5844 PRESSURE: 4487400 183.524 -120.528 59.9729 -120.527 50.4029 -75.9429 59.9733 -75.9427 428.188 GPRESSURE: 4487400 245.92 -89.4252 105.518 -117.687 35.6717 -75.706 42.7306 -70.327 479.062 PRESSAVG: 4487400 -1.00158 -50.4105 -5.99042 -50.4105 2.83617 38.5486 -5.99037 38.5486 -26.4601 GPRESSAVG: 4487400 -0.293877 -50.5597 -4.42017 -51.9308 1.94722 36.6606 -5.48435 39.6927 -27.0593 TIMING: 4487400 CPU: 13326.8, 0.00294276/step Wall: 13326.8, 0.00294276/step, 0.419017 hours remaining, 207.839844 MB of memory in use. ENERGY: 4487400 732.0108 2124.9594 1943.0956 113.2883 -206723.3689 18168.4065 0.0000 0.0000 34068.5247 -149573.0835 297.5289 -183641.6082 -149480.7793 298.4793 220.7047 253.5512 555863.3549 -8.2085 -8.4687 PRESSURE: 4487600 -299.483 -50.133 198.085 -50.135 -296.139 25.0637 198.085 25.0642 -187.062 GPRESSURE: 4487600 -312.005 -48.4522 32.5014 -65.9699 -207.579 -48.0497 314.047 146.215 -154.272 PRESSAVG: 4487600 -1.46779 22.9881 2.49602 22.9881 58.6166 32.2982 2.49598 32.2981 -38.6623 GPRESSAVG: 4487600 -2.6501 20.3581 -0.993029 24.7764 59.578 34.0074 4.76743 30.8326 -38.6069 TIMING: 4487600 CPU: 13327.4, 0.0029589/step Wall: 13327.4, 0.0029589/step, 0.421151 hours remaining, 207.839844 MB of memory in use. ENERGY: 4487600 769.1518 2084.9484 1915.0053 109.3873 -205856.1192 17501.8334 0.0000 0.0000 34115.4872 -149360.3059 297.9390 -183475.7931 -149262.2806 298.9518 -260.8949 -224.6185 557183.4489 6.1622 6.1070 PRESSURE: 4487800 -280.736 118.211 94.157 118.212 -123.467 -25.1635 94.1586 -25.1641 -136 GPRESSURE: 4487800 -207.982 81.6909 142.938 140.549 -130.071 -50.8007 177.362 71.2343 -105.064 PRESSAVG: 4487800 -5.30855 26.6748 4.8676 26.6748 -15.2637 -15.1593 4.86749 -15.1593 1.28208 GPRESSAVG: 4487800 -4.09827 29.6002 7.78821 27.1454 -16.6558 -16.3229 1.8749 -13.7035 1.52268 TIMING: 4487800 CPU: 13328, 0.00300649/step Wall: 13328, 0.00300649/step, 0.427757 hours remaining, 207.839844 MB of memory in use. ENERGY: 4487800 780.9911 2199.4100 1914.8805 120.7129 -206118.9982 17614.3944 0.0000 0.0000 34312.1069 -149176.5024 299.6562 -183488.6093 -149083.4457 299.6666 -180.0677 -147.7057 558030.8904 -6.4301 -6.4105 PRESSURE: 4488000 31.5079 202.784 48.6787 202.782 -77.3289 -168.779 48.6798 -168.779 254.768 GPRESSURE: 4488000 54.7866 107.661 74.2498 291.897 -100.618 -185.583 14.9028 -193.356 349.284 PRESSAVG: 4488000 6.75282 23.1833 54.4792 23.1834 -27.0871 52.1284 54.4794 52.1285 -16.2881 GPRESSAVG: 4488000 6.89155 23.114 53.8169 23.4482 -26.6277 51.0281 54.5803 52.2527 -16.2306 TIMING: 4488000 CPU: 13328.6, 0.00296463/step Wall: 13328.6, 0.00296463/step, 0.421636 hours remaining, 207.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4488000 740.6605 2115.0670 1940.4151 130.5579 -206413.1021 17911.0337 0.0000 0.0000 34345.4813 -149229.8865 299.9476 -183575.3678 -149126.3754 299.6608 69.6490 101.1510 557591.1832 -12.2075 -11.9889 PRESSURE: 4488200 274.966 -46.4875 -155.325 -46.488 401.323 180.176 -155.324 180.175 53.4991 GPRESSURE: 4488200 359.609 -47.0087 -127.49 -55.3761 433.065 135.729 -97.7985 123.602 30.9149 PRESSAVG: 4488200 41.7043 54.6824 5.18158 54.6825 -19.6254 11.9334 5.18152 11.9335 7.72364 GPRESSAVG: 4488200 43.6546 56.0092 7.16089 52.5679 -18.8754 12.2893 6.63184 12.3205 5.99233 TIMING: 4488200 CPU: 13329.2, 0.00292834/step Wall: 13329.2, 0.00292834/step, 0.416313 hours remaining, 207.839844 MB of memory in use. ENERGY: 4488200 721.0943 2153.5363 1922.4392 119.1419 -206665.9228 18241.6177 0.0000 0.0000 34276.2998 -149231.7936 299.3435 -183508.0935 -149140.5477 298.9790 243.2627 274.5295 558612.5641 9.9342 10.2572 LDB: ============= START OF LOAD BALANCING ============== 13332.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13332.8 LDB: =============== DONE WITH MIGRATION ================ 13332.8 LDB: ============= START OF LOAD BALANCING ============== 13333.1 LDB: Largest compute 4809 load 0.020819 is 17.6% of average load 0.118227 LDB: Average compute 0.001737 is 1.5% of average load 0.118227 LDB: TIME 13333.1 LOAD: AVG 0.118227 MAX 0.194773 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.125 MB LDB: TIME 13333.1 LOAD: AVG 0.118227 MAX 0.194773 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.125 MB LDB: TIME 13333.1 LOAD: AVG 0.118227 MAX 0.194773 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.125 MB LDB: ============== END OF LOAD BALANCING =============== 13333.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13333.1 PRESSURE: 4488400 240.547 96.7684 -81.5299 96.7684 -28.7517 -36.041 -81.5304 -36.0404 142.531 GPRESSURE: 4488400 278.395 124.075 -33.7749 84.0952 -35.3764 -22.5962 -108.077 43.6057 221.236 PRESSAVG: 4488400 -1.06941 -22.6598 -19.0091 -22.6599 18.7424 -30.5083 -19.0091 -30.5083 -3.43387 GPRESSAVG: 4488400 -1.70629 -23.9641 -20.7189 -21.4107 17.2324 -28.3448 -18.6363 -33.7347 -1.54862 TIMING: 4488400 CPU: 13329.8, 0.00298291/step Wall: 13329.8, 0.00298291/step, 0.423904 hours remaining, 209.320312 MB of memory in use. ENERGY: 4488400 724.5434 2053.8675 1910.3829 112.9449 -206559.5019 18159.7545 0.0000 0.0000 34462.5835 -149135.4252 300.9703 -183598.0087 -149036.7209 299.2076 118.1088 154.7516 558991.1743 4.7464 4.6592 PRESSURE: 4488600 57.2203 -70.7803 -87.9051 -70.7803 -233.302 20.7472 -87.9051 20.7494 -100.89 GPRESSURE: 4488600 37.9612 37.2514 -84.0793 -120.27 -184.975 48.1672 -104.081 -13.8623 -40.0189 PRESSAVG: 4488600 -9.12682 -39.8896 -1.21222 -39.8896 -23.1762 16.3138 -1.21237 16.3138 -1.28419 GPRESSAVG: 4488600 -10.5228 -38.4175 -0.496563 -41.4996 -21.4863 15.2474 -3.7428 18.9074 -2.15637 TIMING: 4488600 CPU: 13330.4, 0.00293626/step Wall: 13330.4, 0.00293626/step, 0.417112 hours remaining, 209.390625 MB of memory in use. ENERGY: 4488600 729.0321 2111.3089 1924.9450 105.2104 -205824.2728 17485.4954 0.0000 0.0000 34266.9376 -149201.3434 299.2617 -183468.2810 -149106.3681 299.9777 -92.3239 -62.3442 558833.2018 -11.1957 -11.3885 PRESSURE: 4488800 -71.2441 91.4727 -64.088 91.4726 66.9106 49.9269 -64.0883 49.9266 -160.079 GPRESSURE: 4488800 -26.2122 86.2965 -150.442 135.704 89.4828 -50.8455 -90.6581 73.9571 -140.222 PRESSAVG: 4488800 -9.49837 -9.02508 -27.3368 -9.025 32.0617 37.1177 -27.3368 37.1176 -36.0511 GPRESSAVG: 4488800 -9.69942 -9.57375 -27.5266 -9.60163 31.4641 36.5166 -25.7633 37.2558 -34.9285 TIMING: 4488800 CPU: 13331, 0.00293898/step Wall: 13331, 0.00293898/step, 0.417335 hours remaining, 209.390625 MB of memory in use. ENERGY: 4488800 744.4960 2130.6183 1928.6090 116.1863 -206297.5717 17738.5247 0.0000 0.0000 34473.2976 -149165.8398 301.0639 -183639.1374 -149062.3989 299.6198 -54.8042 -25.6505 557846.4128 -4.4959 -4.3879 PRESSURE: 4489000 -80.796 157.335 63.1669 157.336 -279.962 -46.4662 63.165 -46.4663 70.3027 GPRESSURE: 4489000 32.2327 252.213 120.957 51.2583 -288.657 -66.7016 -23.3347 -76.3232 73.9633 PRESSAVG: 4489000 13.0522 24.9445 -28.716 24.9447 -12.5257 32.401 -28.7161 32.401 -28.692 GPRESSAVG: 4489000 13.1246 23.8002 -28.5953 27.4836 -12.1452 33.6593 -28.0864 30.7157 -28.9437 TIMING: 4489000 CPU: 13331.6, 0.00297072/step Wall: 13331.6, 0.00297072/step, 0.421677 hours remaining, 209.390625 MB of memory in use. ENERGY: 4489000 742.9715 2067.9673 1963.8642 105.7501 -205847.1579 17583.7408 0.0000 0.0000 34260.5504 -149122.3136 299.2059 -183382.8640 -149027.1623 299.7780 -96.8184 -60.8205 559266.2697 -9.3885 -9.3214 PRESSURE: 4489200 -65.3455 10.525 -150.592 10.525 66.5869 48.4623 -150.592 48.4619 -71.4892 GPRESSURE: 4489200 -11.6434 -42.4036 -163.919 106.338 94.3704 113.149 -145.66 57.2452 -45.969 PRESSAVG: 4489200 2.17878 6.68359 -37.822 6.68358 -4.97663 31.7404 -37.822 31.7404 8.52696 GPRESSAVG: 4489200 1.64796 6.75815 -38.8023 5.46853 -4.46891 32.1403 -38.5267 31.7376 8.56755 TIMING: 4489200 CPU: 13332.2, 0.00295242/step Wall: 13332.2, 0.00295242/step, 0.418916 hours remaining, 209.390625 MB of memory in use. ENERGY: 4489200 738.7268 2147.4957 1919.0845 127.2379 -206165.7842 17816.4750 0.0000 0.0000 34351.4888 -149065.2754 300.0001 -183416.7642 -148974.0191 298.8288 -23.4159 12.2527 558894.4297 1.9097 1.9155 PRESSURE: 4489400 -60.6318 -105.811 -50.8206 -105.813 -387.535 84.1503 -50.8198 84.1509 -120.551 GPRESSURE: 4489400 -59.516 -91.3327 -43.3209 -78.5383 -318.126 -16.7423 -89.9907 90.9878 -106.528 PRESSAVG: 4489400 -35.6596 16.0282 17.2448 16.0281 31.9444 -5.30538 17.2449 -5.30549 -19.792 GPRESSAVG: 4489400 -35.859 15.9 17.8535 15.6716 33.0385 -4.60891 18.4472 -6.28098 -20.2563 TIMING: 4489400 CPU: 13332.8, 0.00292403/step Wall: 13332.8, 0.00292403/step, 0.414724 hours remaining, 209.390625 MB of memory in use. ENERGY: 4489400 778.1443 2085.3091 1942.3604 112.5373 -206091.2672 17577.3426 0.0000 0.0000 34327.7961 -149267.7774 299.7932 -183595.5735 -149170.8294 299.2603 -189.5724 -161.3899 556235.8668 -7.8357 -7.6922 PRESSURE: 4489600 218.549 -126.894 34.4148 -126.894 154.481 -215.22 34.4153 -215.219 88.6666 GPRESSURE: 4489600 243.713 -148.616 81.4241 -169.114 192.346 -275.461 96.6749 -174.154 122.209 PRESSAVG: 4489600 -3.73831 -56.1405 -2.52341 -56.1406 8.13582 -31.4386 -2.52347 -31.4385 4.84093 GPRESSAVG: 4489600 -2.52891 -53.5352 -1.43971 -56.6852 5.09901 -32.735 -4.29862 -29.3469 6.55949 TIMING: 4489600 CPU: 13333.3, 0.00292816/step Wall: 13333.3, 0.00292816/step, 0.415147 hours remaining, 209.390625 MB of memory in use. ENERGY: 4489600 731.3120 2138.1062 1933.8260 114.8477 -206620.1142 18071.7681 0.0000 0.0000 34378.1750 -149252.0793 300.2332 -183630.2543 -149157.8900 299.2652 153.8991 186.0893 554944.3244 3.0795 3.0432 PRESSURE: 4489800 -80.2575 -48.7776 141.288 -48.7771 59.2129 -17.8858 141.287 -17.8843 -105.105 GPRESSURE: 4489800 -18.0821 -36.2333 153.782 -64.0593 106.917 -104.914 180.986 61.1639 -118.073 PRESSAVG: 4489800 43.1365 -3.18909 -14.1622 -3.18912 -7.60863 -33.6872 -14.1622 -33.6872 7.89994 GPRESSAVG: 4489800 41.1491 -6.14835 -16.4848 -2.11955 -6.54068 -33.9002 -13.471 -34.3033 8.2717 TIMING: 4489800 CPU: 13333.9, 0.00293036/step Wall: 13333.9, 0.00293036/step, 0.415297 hours remaining, 209.390625 MB of memory in use. ENERGY: 4489800 716.1949 2117.0844 1941.9254 112.3419 -206127.7489 17717.1852 0.0000 0.0000 34238.6313 -149284.3857 299.0145 -183523.0170 -149180.6028 299.2743 -42.0497 -9.7463 558502.1640 14.4760 14.2934 PRESSURE: 4490000 260.149 -30.3542 -120.935 -30.354 8.1107 157.178 -120.935 157.18 -48.7021 GPRESSURE: 4490000 254.046 1.11809 -104.576 15.2951 96.4917 142.422 -138.333 186.853 -36.6617 PRESSAVG: 4490000 -30.1494 -16.9715 -47.3591 -16.9716 18.9361 -11.8746 -47.3592 -11.8745 7.66823 GPRESSAVG: 4490000 -27.9019 -17.2388 -43.3426 -18.2281 18.6686 -13.7698 -48.2505 -10.0924 6.73162 TIMING: 4490000 CPU: 13334.5, 0.00293899/step Wall: 13334.5, 0.00293899/step, 0.416357 hours remaining, 209.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4490000 751.0607 2080.5862 1930.4634 116.9967 -206468.0042 17996.1569 0.0000 0.0000 34116.9541 -149475.7863 297.9518 -183592.7404 -149377.5971 298.6321 73.1860 104.6254 556480.2231 -1.1817 -0.8339 PRESSURE: 4490200 -193.425 -12.5667 1.43902 -12.5656 -84.4049 153.622 1.43857 153.621 30.3529 GPRESSURE: 4490200 -131.494 -38.5924 -90.15 -3.80882 -45.0596 97.4197 -9.5012 82.6438 27.5444 PRESSAVG: 4490200 -23.0269 -27.6758 -23.0579 -27.6758 64.0635 56.3198 -23.0579 56.3197 1.03306 GPRESSAVG: 4490200 -24.5972 -25.6793 -27.1395 -26.8431 64.531 56.9252 -20.6328 56.4258 2.2296 TIMING: 4490200 CPU: 13335.1, 0.0029285/step Wall: 13335.1, 0.0029285/step, 0.414708 hours remaining, 209.390625 MB of memory in use. ENERGY: 4490200 748.9171 2117.8763 1934.4512 113.1545 -206640.7603 18105.4780 0.0000 0.0000 33962.0597 -149658.8235 296.5991 -183620.8832 -149559.8153 298.5675 -82.4922 -49.6697 557782.8001 14.0232 14.0545 PRESSURE: 4490400 1.23625 -47.2329 -6.23456 -47.232 1.67089 115.93 -6.23427 115.93 119.361 GPRESSURE: 4490400 52.9958 -67.8525 28.2819 -40.9634 41.1949 72.7085 72.4828 154.495 117.269 PRESSAVG: 4490400 -121.198 6.69495 54.7117 6.69502 130.534 -7.96831 54.7116 -7.96844 3.37897 GPRESSAVG: 4490400 -120.511 6.59708 55.6901 5.67494 131.032 -6.77078 53.7821 -10.1493 2.36905 TIMING: 4490400 CPU: 13335.7, 0.00291368/step Wall: 13335.7, 0.00291368/step, 0.412448 hours remaining, 209.390625 MB of memory in use. ENERGY: 4490400 743.9411 2186.2602 1935.7620 94.7414 -206410.8135 17952.4794 0.0000 0.0000 34137.6085 -149360.0209 298.1322 -183497.6294 -149269.2152 298.4251 40.7559 70.4864 557128.0895 4.2384 4.2969 PRESSURE: 4490600 -1.65251 -141.202 -171.946 -141.202 281.252 2.95852 -171.946 2.95739 -116.556 GPRESSURE: 4490600 24.8887 -97.1835 -197.785 -113.988 333.186 -20.3769 -54.7572 23.0394 -94.3275 PRESSAVG: 4490600 -10.8464 -44.2737 -8.59831 -44.2737 33.4277 22.5283 -8.59833 22.5283 -7.92321 GPRESSAVG: 4490600 -10.5956 -45.3889 -7.90787 -44.3589 31.9154 21.4946 -8.47006 21.5912 -7.27461 TIMING: 4490600 CPU: 13336.3, 0.00292038/step Wall: 13336.3, 0.00292038/step, 0.413233 hours remaining, 209.390625 MB of memory in use. ENERGY: 4490600 753.0739 2160.4994 1918.3871 121.1354 -206422.8734 17935.7863 0.0000 0.0000 34149.7738 -149384.2175 298.2385 -183533.9913 -149292.6005 299.1446 54.3479 87.9157 557410.8024 4.8860 4.6817 PRESSURE: 4490800 -90.0761 -6.50352 -135.395 -6.50328 164.737 -164.974 -135.394 -164.975 28.7777 GPRESSURE: 4490800 -14.5678 16.682 -156.39 9.62218 196.613 -154.4 -39.8119 -202.797 30.8966 PRESSAVG: 4490800 29.5227 -6.62779 -2.20081 -6.62778 64.7264 -1.01376 -2.20079 -1.01379 -50.5028 GPRESSAVG: 4490800 30.4509 -4.96301 -2.70763 -8.26367 65.3696 -2.08091 -4.36658 2.48016 -52.1496 TIMING: 4490800 CPU: 13336.9, 0.00291985/step Wall: 13336.9, 0.00291985/step, 0.412997 hours remaining, 209.390625 MB of memory in use. ENERGY: 4490800 747.4272 2083.0840 1898.6654 124.5753 -206528.3462 18113.3509 0.0000 0.0000 34329.2354 -149232.0079 299.8058 -183561.2433 -149138.8106 298.8526 34.4795 70.9805 557675.2817 14.5821 14.5570 PRESSURE: 4491000 -254.714 68.9975 -136.67 68.9973 47.8743 -66.2538 -136.67 -66.2543 -173.898 GPRESSURE: 4491000 -210.32 58.4361 -111.862 135.065 37.7159 -87.9158 -141.658 -4.78346 -114.615 PRESSAVG: 4491000 -51.5249 21.6418 1.3213 21.6417 87.4367 -13.3686 1.32133 -13.3686 -36.6353 GPRESSAVG: 4491000 -53.3006 21.9021 3.2412 23.1465 87.6776 -12.4143 2.2936 -15.0241 -35.0155 TIMING: 4491000 CPU: 13337.4, 0.00291645/step Wall: 13337.4, 0.00291645/step, 0.412354 hours remaining, 209.390625 MB of memory in use. ENERGY: 4491000 735.8167 2161.2594 1914.6852 113.0535 -205841.7571 17498.2835 0.0000 0.0000 34289.6833 -149128.9755 299.4603 -183418.6589 -149036.0912 299.6664 -126.9126 -95.7394 558901.3735 -0.2412 -0.2128 PRESSURE: 4491200 -218.838 93.8568 107.921 93.8561 155.83 138.528 107.922 138.527 252.03 GPRESSURE: 4491200 -135.907 66.0348 194.681 158.893 134.505 67.1531 104.078 105.268 289.942 PRESSAVG: 4491200 -27.6843 69.2464 20.9125 69.2463 52.29 -20.805 20.9124 -20.805 5.1188 GPRESSAVG: 4491200 -26.4213 68.0792 19.6206 69.1642 51.4385 -21.4468 21.1946 -22.2787 5.16193 TIMING: 4491200 CPU: 13338, 0.00295652/step Wall: 13338, 0.00295652/step, 0.417855 hours remaining, 209.390625 MB of memory in use. ENERGY: 4491200 776.1134 2181.4479 1908.8166 116.6403 -206240.7092 17921.0112 0.0000 0.0000 34195.0719 -149141.6078 298.6341 -183336.6797 -149048.8497 299.7638 63.0072 96.1799 557031.1783 9.9082 10.0597 PRESSURE: 4491400 87.1555 -138.612 15.2544 -138.611 -29.241 15.0531 15.2547 15.0528 -60.2887 GPRESSURE: 4491400 130.413 -139.899 7.62149 -75.6449 3.32236 17.3088 132.844 -19.7774 -22.3144 PRESSAVG: 4491400 15.1153 25.0545 -7.39923 25.0545 -8.07619 18.7351 -7.39925 18.7352 -32.4756 GPRESSAVG: 4491400 14.4577 26.0563 -7.3283 24.9606 -6.23916 20.6202 -8.16128 17.6406 -33.4541 TIMING: 4491400 CPU: 13338.6, 0.00293931/step Wall: 13338.6, 0.00293931/step, 0.415259 hours remaining, 209.390625 MB of memory in use. ENERGY: 4491400 753.3907 2091.5701 1932.6956 112.9593 -206347.0039 17962.5263 0.0000 0.0000 34276.6864 -149217.1757 299.3468 -183493.8620 -149117.1526 299.9741 -0.7914 37.1402 557239.1412 -8.4788 -8.4118 PRESSURE: 4491600 -146.345 125.729 43.4139 125.729 157.277 84.4074 43.413 84.4077 293.238 GPRESSURE: 4491600 -80.3466 103.314 91.2687 33.102 190.094 80.0406 -31.1451 66.5434 277.874 PRESSAVG: 4491600 12.0059 14.9912 4.81759 14.9912 -38.751 -33.1041 4.81756 -33.1041 30.9101 GPRESSAVG: 4491600 11.3727 12.5193 5.28741 14.9841 -37.7329 -34.8528 5.48072 -30.3172 30.7623 TIMING: 4491600 CPU: 13339.2, 0.00294125/step Wall: 13339.2, 0.00294125/step, 0.41537 hours remaining, 209.390625 MB of memory in use. ENERGY: 4491600 734.9288 2083.9476 1923.1332 103.7257 -205939.7544 17789.5996 0.0000 0.0000 34248.0823 -149056.3372 299.0970 -183304.4194 -148961.5410 299.3767 101.3901 129.2072 557202.7882 1.3883 1.4674 PRESSURE: 4491800 -107.668 -56.079 -100.426 -56.0791 -168.034 -46.6585 -100.426 -46.659 -184.983 GPRESSURE: 4491800 -38.7982 28.7778 -153.614 -91.4957 -101.675 49.0424 -76.2788 -103.017 -210.755 PRESSAVG: 4491800 -1.74657 34.1953 -27.5976 34.1953 -12.2323 -24.4984 -27.5976 -24.4985 -0.555384 GPRESSAVG: 4491800 0.790664 35.2759 -29.6975 34.9307 -14.165 -22.6055 -26.9869 -26.7261 -0.982536 TIMING: 4491800 CPU: 13339.8, 0.00294738/step Wall: 13339.8, 0.00294738/step, 0.416072 hours remaining, 209.390625 MB of memory in use. ENERGY: 4491800 723.7907 2109.7959 1936.6880 113.4855 -205840.2238 17483.2025 0.0000 0.0000 34476.6291 -148996.6321 301.0930 -183473.2612 -148900.6250 299.5037 -153.5618 -117.0759 556923.5371 -4.8448 -4.7856 PRESSURE: 4492000 -293.669 68.6681 -42.5231 68.6667 -433.013 90.42 -42.5225 90.4188 -214.301 GPRESSURE: 4492000 -194.895 42.5338 -71.7632 123.468 -440.663 116.429 -24.4264 37.7378 -207.537 PRESSAVG: 4492000 -23.029 14.0779 -7.41333 14.0779 21.2059 -0.966133 -7.41328 -0.966062 24.5709 GPRESSAVG: 4492000 -23.5186 13.7862 -7.99324 14.2908 22.1959 -1.74317 -7.85692 0.147137 23.9184 TIMING: 4492000 CPU: 13340.4, 0.00293674/step Wall: 13340.4, 0.00293674/step, 0.414406 hours remaining, 209.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4492000 743.8699 2095.2012 1918.5963 113.5474 -205429.7554 17317.3385 0.0000 0.0000 34201.9656 -149039.2365 298.6943 -183241.2020 -148947.4944 299.7476 -313.6608 -281.0316 559503.4406 7.5826 7.5319 PRESSURE: 4492200 -91.6066 -175.058 21.7569 -175.058 202.615 102.345 21.7554 102.344 -0.397986 GPRESSURE: 4492200 -53.7288 -202.348 -19.1687 -117.156 198.048 70.2382 67.7165 150.843 73.5775 PRESSAVG: 4492200 26.2481 -38.1559 41.0938 -38.1559 -57.1363 39.2559 41.0937 39.2557 53.0646 GPRESSAVG: 4492200 24.9146 -38.5236 44.2237 -36.7385 -57.6937 38.9371 40.4557 38.3193 55.4171 TIMING: 4492200 CPU: 13341, 0.00291518/step Wall: 13341, 0.00291518/step, 0.411202 hours remaining, 209.390625 MB of memory in use. ENERGY: 4492200 750.5453 2080.2605 1951.9665 124.3282 -206170.1870 17887.0265 0.0000 0.0000 34301.1234 -149074.9367 299.5602 -183376.0600 -148978.5480 299.2805 36.8702 72.6323 558886.1814 7.3922 7.5460 LDB: ============= START OF LOAD BALANCING ============== 13344.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13344.5 LDB: =============== DONE WITH MIGRATION ================ 13344.5 LDB: ============= START OF LOAD BALANCING ============== 13344.8 LDB: Largest compute 4772 load 0.021418 is 18.1% of average load 0.118291 LDB: Average compute 0.001740 is 1.5% of average load 0.118291 LDB: TIME 13344.8 LOAD: AVG 0.118291 MAX 0.195689 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.352 MB LDB: TIME 13344.8 LOAD: AVG 0.118291 MAX 0.195689 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.352 MB LDB: TIME 13344.8 LOAD: AVG 0.118291 MAX 0.195689 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.352 MB LDB: ============== END OF LOAD BALANCING =============== 13344.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13344.8 PRESSURE: 4492400 -210.639 -59.7024 132.665 -59.7039 -181.714 103.109 132.666 103.11 -296.754 GPRESSURE: 4492400 -197.273 27.7411 94.7594 -84.7286 -138.57 125.838 117.553 80.3291 -246.244 PRESSAVG: 4492400 -12.3477 12.7609 22.1813 12.7609 22.0283 -8.9091 22.1812 -8.90914 -40.7307 GPRESSAVG: 4492400 -12.3443 14.3321 20.3118 11.6405 22.5383 -9.22808 21.8425 -7.46171 -41.7349 TIMING: 4492400 CPU: 13341.6, 0.00297557/step Wall: 13341.6, 0.00297557/step, 0.419555 hours remaining, 208.609375 MB of memory in use. ENERGY: 4492400 756.2977 2043.1122 1920.6699 119.1049 -205870.5156 17552.8195 0.0000 0.0000 34320.8147 -149157.6967 299.7322 -183478.5114 -149065.4751 299.8110 -229.7024 -194.0291 559389.9460 -10.3500 -10.5136 PRESSURE: 4492600 -57.6324 32.392 -33.3315 32.3897 249.22 -53.7949 -33.3332 -53.7948 230.894 GPRESSURE: 4492600 -74.2698 35.5975 -9.45747 22.0505 314.024 -81.3316 -74.9755 -74.4294 274.263 PRESSAVG: 4492600 25.5233 -4.70158 -12.9121 -4.70156 -1.18912 1.27028 -12.912 1.27034 -0.477722 GPRESSAVG: 4492600 26.4375 -5.78329 -10.2962 -5.75827 -1.78008 1.66018 -13.0901 -1.34003 -1.06582 TIMING: 4492600 CPU: 13342.1, 0.00291104/step Wall: 13342.1, 0.00291104/step, 0.410295 hours remaining, 208.609375 MB of memory in use. ENERGY: 4492600 734.1583 2049.3404 1918.0868 107.2536 -206293.0354 18087.5504 0.0000 0.0000 34242.0912 -149154.5547 299.0447 -183396.6459 -149064.1770 299.4260 140.8270 171.3393 556832.2152 7.9522 7.8639 PRESSURE: 4492800 29.6457 121.643 -153.184 121.642 -215 43.7583 -153.184 43.7577 -250.38 GPRESSURE: 4492800 7.56136 129.432 -130.994 116.417 -186.487 103.969 -151.71 -38.916 -162.819 PRESSAVG: 4492800 9.54475 12.2658 -50.8359 12.2658 36.2599 9.49466 -50.8358 9.49469 -3.81861 GPRESSAVG: 4492800 8.39831 13.2295 -54.4838 10.5668 36.3887 9.00166 -49.8028 11.6255 -3.21107 TIMING: 4492800 CPU: 13342.7, 0.00291242/step Wall: 13342.7, 0.00291242/step, 0.410327 hours remaining, 208.609375 MB of memory in use. ENERGY: 4492800 758.7127 2076.2637 1905.0522 113.9072 -205742.5364 17593.8043 0.0000 0.0000 34289.4206 -149005.3755 299.4580 -183294.7962 -148903.8088 299.7961 -145.2447 -113.9149 559543.6909 13.9953 13.8586 PRESSURE: 4493000 166.092 -9.13415 76.1998 -9.13377 -132.943 98.8835 76.1992 98.8827 -142.589 GPRESSURE: 4493000 226.293 -55.7034 200.687 61.6724 -94.3135 160.488 11.1988 105.923 -149.67 PRESSAVG: 4493000 -29.0409 -12.4812 -59.9388 -12.4812 -10.7575 4.1918 -59.9388 4.1917 30.9641 GPRESSAVG: 4493000 -28.0488 -13.6912 -56.2439 -10.2503 -11.2735 3.53693 -61.276 4.53423 30.7515 TIMING: 4493000 CPU: 13343.3, 0.00293032/step Wall: 13343.3, 0.00293032/step, 0.412686 hours remaining, 208.609375 MB of memory in use. ENERGY: 4493000 721.5856 2054.5732 1907.7529 116.8139 -205954.3366 17661.4952 0.0000 0.0000 34409.0029 -149083.1129 300.5024 -183492.1158 -148987.2459 299.5583 -36.4800 -5.8968 556971.1465 -2.9448 -2.8569 PRESSURE: 4493200 -33.7897 -159.99 -187.078 -159.989 266.338 -1.29887 -187.077 -1.2993 -63.2596 GPRESSURE: 4493200 -33.0992 -163.473 -208.822 -116.59 245.059 -29.252 -234.367 48.2832 50.2702 PRESSAVG: 4493200 -44.5486 -17.0842 -24.5173 -17.0842 47.664 15.3618 -24.5173 15.3619 23.0637 GPRESSAVG: 4493200 -45.5006 -18.0728 -24.9668 -17.222 48.1962 16.4285 -25.3063 13.063 23.4088 TIMING: 4493200 CPU: 13343.9, 0.0029319/step Wall: 13343.9, 0.0029319/step, 0.412746 hours remaining, 208.609375 MB of memory in use. ENERGY: 4493200 734.9957 2051.8065 1920.8501 104.2387 -206102.6450 17850.6404 0.0000 0.0000 34323.5225 -149116.5911 299.7559 -183440.1137 -149020.6595 299.3358 56.4297 87.4099 556591.1397 8.7264 8.7015 PRESSURE: 4493400 136.339 -63.1942 -194.479 -63.1948 -91.6558 28.6919 -194.48 28.6923 -65.7686 GPRESSURE: 4493400 187.572 -118.107 -137.027 -72.0392 -103.164 34.3672 -177.436 -42.4251 -10.0049 PRESSAVG: 4493400 34.9101 32.9318 -27.6004 32.9319 -19.1833 54.5301 -27.6004 54.5301 -3.60753 GPRESSAVG: 4493400 35.5973 32.1263 -28.8097 33.616 -19.4688 55.321 -26.4229 54.9857 -4.18846 TIMING: 4493400 CPU: 13344.5, 0.0029549/step Wall: 13344.5, 0.0029549/step, 0.41582 hours remaining, 208.609375 MB of memory in use. ENERGY: 4493400 723.7661 2076.7652 1937.3212 103.3090 -205782.2532 17577.2035 0.0000 0.0000 34190.2491 -149173.6391 298.5919 -183363.8883 -149077.8104 299.2080 -7.0284 24.8013 557232.0081 4.0398 3.9800 PRESSURE: 4493600 -180.665 -121.142 -211.174 -121.141 -85.8677 -30.5479 -211.174 -30.5481 12.5625 GPRESSURE: 4493600 -118.587 -35.7394 -167.768 -267.02 -29.3611 -50.2114 -156.356 46.2029 -12.421 PRESSAVG: 4493600 -15.8243 -36.9653 -22.267 -36.9653 32.9026 57.4144 -22.2671 57.4143 12.5579 GPRESSAVG: 4493600 -16.3901 -34.0837 -21.4633 -36.722 34.3669 56.5007 -21.3466 58.6539 11.7033 TIMING: 4493600 CPU: 13345.1, 0.00296936/step Wall: 13345.1, 0.00296936/step, 0.41769 hours remaining, 208.609375 MB of memory in use. ENERGY: 4493600 770.6093 2095.8109 1919.1476 107.4929 -206025.0642 17639.9792 0.0000 0.0000 34441.2615 -149050.7628 300.7841 -183492.0243 -148953.6502 299.8449 -84.6566 -53.4564 556854.7592 9.8787 9.8933 PRESSURE: 4493800 -153.611 384.359 -50.373 384.359 -127.288 -5.42372 -50.3728 -5.42273 -265.792 GPRESSURE: 4493800 -61.9647 250.653 -5.95076 348.963 -39.5967 -18.497 -125.793 49.5264 -352.442 PRESSAVG: 4493800 -5.51983 -20.3717 -13.3825 -20.3717 37.0571 -21.682 -13.3823 -21.6818 -11.7696 GPRESSAVG: 4493800 -5.99572 -22.6019 -12.4775 -20.7163 36.7375 -19.5372 -14.635 -23.8042 -10.6406 TIMING: 4493800 CPU: 13345.7, 0.00296556/step Wall: 13345.7, 0.00296556/step, 0.416991 hours remaining, 208.609375 MB of memory in use. ENERGY: 4493800 759.6868 2062.8290 1935.0214 108.3837 -206069.7364 17602.3239 0.0000 0.0000 34560.1740 -149041.3175 301.8226 -183601.4916 -148940.6629 299.7376 -182.2303 -151.3346 558379.9673 6.5892 6.7004 PRESSURE: 4494000 126.967 -81.3542 -88.3653 -81.3538 131.979 -113.205 -88.3665 -113.205 -3.71639 GPRESSURE: 4494000 180.546 -124.373 -78.9449 -9.73586 205.928 -57.0511 -125.907 -196.639 -35.7424 PRESSAVG: 4494000 2.70269 36.8372 -24.8371 36.8372 -0.663419 35.4086 -24.8371 35.4086 -15.8154 GPRESSAVG: 4494000 2.34889 37.4414 -26.5162 37.4208 -0.670854 33.1511 -25.2211 37.328 -15.8508 TIMING: 4494000 CPU: 13346.3, 0.00295618/step Wall: 13346.3, 0.00295618/step, 0.415508 hours remaining, 208.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4494000 752.3476 2066.5418 1928.8994 112.2292 -206257.5767 17919.9832 0.0000 0.0000 34421.1935 -149056.3820 300.6088 -183477.5755 -148957.5743 299.6749 85.0766 116.9107 556865.2884 -4.5920 -4.7243 PRESSURE: 4494200 -114.155 -122.013 -140.695 -122.013 -249.126 -12.633 -140.694 -12.6333 62.0722 GPRESSURE: 4494200 -53.4238 -154.662 -72.6111 -67.8393 -233.632 7.18839 -246.203 10.3096 87.5776 PRESSAVG: 4494200 -57.8335 -5.44673 -41.6059 -5.44668 0.173147 -2.24247 -41.6059 -2.24247 21.083 GPRESSAVG: 4494200 -56.976 -6.12118 -42.9558 -5.48496 -1.45532 -1.8318 -39.2691 -1.53386 21.4811 TIMING: 4494200 CPU: 13346.9, 0.00296088/step Wall: 13346.9, 0.00296088/step, 0.416004 hours remaining, 208.609375 MB of memory in use. ENERGY: 4494200 741.4885 2061.3609 1934.4102 116.9058 -206126.2131 17708.7739 0.0000 0.0000 34621.2178 -148942.0562 302.3557 -183563.2739 -148842.6775 299.7684 -100.4029 -66.4927 556726.9342 -12.1924 -12.3167 PRESSURE: 4494400 -175.64 73.7007 218.825 73.7008 -105.639 -9.04205 218.824 -9.04213 -300.505 GPRESSURE: 4494400 -147.966 168.812 245.838 -48.5014 -55.4101 -21.4691 147.87 23.3929 -279.658 PRESSAVG: 4494400 -13.4674 -41.371 -14.904 -41.3711 57.7127 -29.5674 -14.9041 -29.5675 -36.4038 GPRESSAVG: 4494400 -13.8501 -39.4518 -12.0953 -42.5252 58.1655 -29.0865 -16.2575 -30.8812 -36.4235 TIMING: 4494400 CPU: 13347.4, 0.0029426/step Wall: 13347.4, 0.0029426/step, 0.413272 hours remaining, 208.609375 MB of memory in use. ENERGY: 4494400 738.6337 2063.6123 1917.3164 110.6704 -205691.6850 17442.3545 0.0000 0.0000 34348.6985 -149070.3992 299.9757 -183419.0977 -148981.9694 299.6957 -193.9280 -161.0115 558084.2797 2.6138 2.6307 PRESSURE: 4494600 225.648 82.504 -262.253 82.5032 34.7893 -150.259 -262.251 -150.259 -267.871 GPRESSURE: 4494600 241.418 48.3103 -241.057 86.6712 74.9995 -159.256 -251.241 -9.99527 -233.383 PRESSAVG: 4494600 15.1488 -10.3549 -59.4461 -10.3548 54.4392 26.3221 -59.4461 26.3221 -104.37 GPRESSAVG: 4494600 15.561 -11.2675 -61.6583 -9.685 54.0907 25.1464 -59.2183 28.2354 -104.069 TIMING: 4494600 CPU: 13348, 0.00297266/step Wall: 13348, 0.00297266/step, 0.417329 hours remaining, 208.609375 MB of memory in use. ENERGY: 4494600 713.8360 2078.4272 1935.8874 111.4961 -205812.3451 17556.1850 0.0000 0.0000 34408.9671 -149007.5464 300.5021 -183416.5135 -148919.8196 299.9533 -2.4780 27.6784 556287.5794 -11.5940 -11.4723 PRESSURE: 4494800 -33.6342 53.4939 -92.4317 53.4929 121.083 -90.9524 -92.4332 -90.9539 80.7046 GPRESSURE: 4494800 63.8161 20.4174 -88.0952 74.8479 82.6584 -60.8024 -89.5338 -131.933 118.228 PRESSAVG: 4494800 12.4447 25.5273 -84.8302 25.5274 38.667 -28.2442 -84.8301 -28.2441 -42.3165 GPRESSAVG: 4494800 12.7372 24.7835 -83.1257 25.2954 38.12 -27.443 -85.2585 -30.1406 -42.053 TIMING: 4494800 CPU: 13348.6, 0.00294332/step Wall: 13348.6, 0.00294332/step, 0.413046 hours remaining, 208.609375 MB of memory in use. ENERGY: 4494800 704.6691 2057.5794 1934.6945 122.8679 -205952.4640 17791.1025 0.0000 0.0000 34193.2586 -149148.2919 298.6182 -183341.5505 -149066.1599 299.8242 56.0513 88.2343 557214.1859 2.9317 2.9347 PRESSURE: 4495000 -172.051 40.9101 -126.427 40.9106 -310.234 -78.2212 -126.427 -78.2234 -180.157 GPRESSURE: 4495000 -100.309 45.1725 -54.2672 31.9347 -300.89 -113.2 -113.188 -106.499 -166.902 PRESSAVG: 4495000 72.4183 69.6412 -49.1888 69.6411 -40.019 48.7919 -49.1887 48.7919 -95.9982 GPRESSAVG: 4495000 72.8318 71.8181 -49.2709 69.0946 -39.0252 50.4387 -46.7578 48.8041 -97.032 TIMING: 4495000 CPU: 13349.2, 0.00294542/step Wall: 13349.2, 0.00294542/step, 0.413178 hours remaining, 208.609375 MB of memory in use. ENERGY: 4495000 716.3772 2039.8841 1950.1826 116.0684 -205624.0058 17319.3245 0.0000 0.0000 34243.3019 -149238.8671 299.0553 -183482.1690 -149148.6891 298.9473 -220.8141 -189.3673 557735.0121 -21.1996 -21.0751 PRESSURE: 4495200 200.679 26.3455 73.5957 26.3446 -179.546 248.881 73.5965 248.882 293.753 GPRESSURE: 4495200 244.872 -1.93244 96.1848 -35.5224 -90.4419 260.433 43.6725 239.932 251.771 PRESSAVG: 4495200 75.8182 31.4403 1.97503 31.4403 -39.7099 -25.2276 1.97504 -25.2276 33.2446 GPRESSAVG: 4495200 77.1819 30.1708 0.822678 31.0685 -41.024 -26.9779 0.0427167 -24.2939 32.8537 TIMING: 4495200 CPU: 13349.8, 0.00297056/step Wall: 13349.8, 0.00297056/step, 0.416539 hours remaining, 208.609375 MB of memory in use. ENERGY: 4495200 701.7830 2053.4508 1926.0859 130.4967 -206384.4476 17919.2986 0.0000 0.0000 34339.0314 -149314.3010 299.8913 -183653.3325 -149214.6298 299.1533 104.9620 135.4004 556849.4230 23.1176 23.0039 PRESSURE: 4495400 -43.3996 28.2333 -113.281 28.2336 -147.014 24.1933 -113.28 24.1945 48.0769 GPRESSURE: 4495400 28.079 74.7683 -149.782 116.498 -157.024 81.9179 -90.6294 57.9539 85.5287 PRESSAVG: 4495400 49.8075 13.1964 -4.13607 13.1965 -26.2599 16.3726 -4.13618 16.3726 9.24601 GPRESSAVG: 4495400 47.4165 13.5538 -3.13821 14.6238 -25.5117 16.918 -4.62886 16.6517 11.0378 TIMING: 4495400 CPU: 13350.4, 0.00294038/step Wall: 13350.4, 0.00294038/step, 0.412143 hours remaining, 208.609375 MB of memory in use. ENERGY: 4495400 757.6823 2026.6654 1902.2870 106.8848 -205863.4240 17710.8213 0.0000 0.0000 33939.7423 -149419.3409 296.4042 -183359.0832 -149325.6143 299.1990 -47.4455 -14.4722 557079.4457 10.9312 10.9809 PRESSURE: 4495600 109.695 -53.5528 50.0366 -53.5528 -105.778 -83.8163 50.0356 -83.8181 71.3638 GPRESSURE: 4495600 79.7344 11.8657 80.1368 -112.742 2.6355 -108.312 46.266 -109.142 86.7944 PRESSAVG: 4495600 22.1962 39.5318 -15.7873 39.5317 -29.7829 36.6644 -15.7874 36.6645 -34.8909 GPRESSAVG: 4495600 22.5946 39.3873 -14.2848 39.8921 -28.8268 37.547 -15.4416 32.4164 -36.9928 TIMING: 4495600 CPU: 13351, 0.00291798/step Wall: 13351, 0.00291798/step, 0.408842 hours remaining, 208.648438 MB of memory in use. ENERGY: 4495600 746.2824 2042.0405 1931.9648 107.1928 -206308.6406 17796.1333 0.0000 0.0000 34379.5138 -149305.5129 300.2448 -183685.0268 -149213.1611 298.7952 25.0935 56.3881 556043.3629 -14.1592 -14.4083 PRESSURE: 4495800 138.434 151.081 120.635 151.08 54.5201 -29.9514 120.634 -29.9512 84.8304 GPRESSURE: 4495800 232.677 127.139 54.105 183.602 68.5521 -29.0372 112.976 94.0832 71.3772 PRESSAVG: 4495800 97.9321 11.3893 39.2977 11.3894 -56.686 36.0475 39.2977 36.0476 -42.9041 GPRESSAVG: 4495800 99.0857 11.7264 34.6468 12.0223 -57.7625 36.2262 38.6152 38.2486 -42.8934 TIMING: 4495800 CPU: 13351.6, 0.00291787/step Wall: 13351.6, 0.00291787/step, 0.408664 hours remaining, 208.648438 MB of memory in use. ENERGY: 4495800 729.8079 2107.7770 1932.6559 110.1375 -206424.1017 17943.7797 0.0000 0.0000 34294.9371 -149305.0068 299.5062 -183599.9439 -149213.7695 299.4979 92.5947 124.2023 555843.9854 -0.5527 -0.5234 PRESSURE: 4496000 -34.1904 118.301 11.4955 118.301 -27.815 -12.797 11.4957 -12.7962 -209.626 GPRESSURE: 4496000 8.98636 177.149 109.891 89.3956 5.97412 11.1862 -40.8618 -22.6068 -198.275 PRESSAVG: 4496000 115.507 62.2789 9.95124 62.2788 -30.2983 -23.8177 9.95119 -23.8176 -63.3656 GPRESSAVG: 4496000 114.628 61.6811 13.3655 61.7264 -30.2719 -25.1954 10.3758 -22.028 -62.1737 TIMING: 4496000 CPU: 13352.2, 0.00295806/step Wall: 13352.2, 0.00295806/step, 0.414129 hours remaining, 208.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4496000 752.8817 2067.4846 1933.6827 108.5809 -206075.6767 17766.7054 0.0000 0.0000 34071.9552 -149374.3862 297.5589 -183446.3415 -149282.1074 298.6976 -90.5439 -61.1050 557785.7792 7.2810 7.3941 PRESSURE: 4496200 84.2169 -71.7226 -93.1387 -71.722 -129.343 -81.3012 -93.1392 -81.3023 -62.5077 GPRESSURE: 4496200 126.59 -33.1172 -153.93 -118.672 -104.727 -123.579 -80.9722 -15.4198 -32.5755 PRESSAVG: 4496200 31.6801 12.282 12.7403 12.2818 35.9194 -16.0013 12.7403 -16.0014 -15.1374 GPRESSAVG: 4496200 31.9187 11.9246 11.4804 12.1675 36.5379 -14.0305 13.0684 -18.3934 -15.5053 TIMING: 4496200 CPU: 13352.8, 0.00297374/step Wall: 13352.8, 0.00297374/step, 0.416158 hours remaining, 208.648438 MB of memory in use. ENERGY: 4496200 714.9417 2124.7164 1945.2490 107.6024 -205983.4505 17640.6803 0.0000 0.0000 34164.6500 -149285.6107 298.3684 -183450.2607 -149185.4965 298.6215 -35.8778 -3.5710 556381.0851 17.4874 17.6504 LDB: ============= START OF LOAD BALANCING ============== 13356.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13356.3 LDB: =============== DONE WITH MIGRATION ================ 13356.3 LDB: ============= START OF LOAD BALANCING ============== 13356.6 LDB: Largest compute 4809 load 0.021189 is 17.9% of average load 0.118267 LDB: Average compute 0.001742 is 1.5% of average load 0.118267 LDB: TIME 13356.6 LOAD: AVG 0.118267 MAX 0.197717 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.641 MB LDB: TIME 13356.6 LOAD: AVG 0.118267 MAX 0.197717 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.641 MB LDB: TIME 13356.6 LOAD: AVG 0.118267 MAX 0.197717 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.641 MB LDB: ============== END OF LOAD BALANCING =============== 13356.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13356.6 PRESSURE: 4496400 -16.387 -30.0123 -78.7684 -30.0128 57.3919 -44.2433 -78.7685 -44.2419 120.294 GPRESSURE: 4496400 -26.4348 -139.348 -46.1782 34.2872 125.046 -43.3278 -60.0263 -58.6665 155.352 PRESSAVG: 4496400 -14.4459 -31.2722 -5.01817 -31.2722 12.2917 -32.2644 -5.01826 -32.2645 -11.0878 GPRESSAVG: 4496400 -13.8479 -31.4878 -4.32774 -30.3899 11.0054 -32.9961 -5.60345 -31.0562 -10.0946 TIMING: 4496400 CPU: 13353.4, 0.00302135/step Wall: 13353.4, 0.00302135/step, 0.422653 hours remaining, 209.320312 MB of memory in use. ENERGY: 4496400 745.2315 2048.3732 1933.1981 111.2646 -205748.7413 17660.0967 0.0000 0.0000 34110.6323 -149139.9449 297.8966 -183250.5772 -149041.5777 298.8619 53.7663 84.6547 556493.8940 -4.4140 -4.3124 PRESSURE: 4496600 104.26 -5.35172 90.5777 -5.35261 -223.67 -232.678 90.5787 -232.678 104.09 GPRESSURE: 4496600 108.249 10.5212 48.2475 79.487 -147.535 -176.925 168.154 -228.68 108.318 PRESSAVG: 4496600 12.0266 -38.0729 13.0896 -38.073 37.8727 -50.5815 13.0897 -50.5815 -25.5367 GPRESSAVG: 4496600 11.1361 -39.9591 12.0575 -37.1501 38.9472 -49.2537 14.1468 -50.6961 -25.6251 TIMING: 4496600 CPU: 13353.9, 0.00293458/step Wall: 13353.9, 0.00293458/step, 0.410353 hours remaining, 209.320312 MB of memory in use. ENERGY: 4496600 745.9174 2093.6453 1897.0924 109.4771 -206359.8511 17985.6972 0.0000 0.0000 34128.7254 -149399.2963 298.0546 -183528.0217 -149299.8733 298.8181 -5.1068 23.0102 557040.7383 8.1209 8.1527 PRESSURE: 4496800 -87.4721 34.9769 15.6814 34.977 -2.84206 19.9751 15.6806 19.9734 -60.4445 GPRESSURE: 4496800 10.886 -5.94079 -6.44466 171.065 4.03983 -32.2684 111.818 85.5941 -70.7543 PRESSAVG: 4496800 8.84899 -69.7543 25.5411 -69.7543 -13.7445 10.2919 25.541 10.2918 50.8996 GPRESSAVG: 4496800 8.56983 -67.2419 27.2846 -70.0028 -13.8373 7.96899 26.3249 11.1171 50.9841 TIMING: 4496800 CPU: 13354.5, 0.00290732/step Wall: 13354.5, 0.00290732/step, 0.406379 hours remaining, 209.449219 MB of memory in use. ENERGY: 4496800 744.7617 2102.5875 1942.2942 112.9717 -206118.7749 17768.4762 0.0000 0.0000 34207.4070 -149240.2766 298.7418 -183447.6836 -149143.6518 298.9230 -50.2529 -18.6095 557729.1930 15.3347 15.2389 PRESSURE: 4497000 42.0902 -103.194 -295.459 -103.195 252.612 56.9086 -295.458 56.9085 87.7847 GPRESSURE: 4497000 80.3279 -77.608 -370.503 -133.436 279.618 -17.4274 -242.206 126.9 131.121 PRESSAVG: 4497000 -56.083 47.4127 24.63 47.4128 17.3238 -2.11463 24.63 -2.11465 23.8218 GPRESSAVG: 4497000 -56.2915 47.5159 24.6415 47.1344 18.857 -2.63584 23.2735 -3.63091 23.0204 TIMING: 4497000 CPU: 13355.1, 0.0029143/step Wall: 13355.1, 0.0029143/step, 0.407193 hours remaining, 209.449219 MB of memory in use. ENERGY: 4497000 727.4043 2107.0025 1923.7888 101.4802 -206397.7918 18077.4590 0.0000 0.0000 34260.9899 -149199.6671 299.2097 -183460.6570 -149102.2274 298.8832 127.4956 163.6889 556578.6934 -4.9791 -4.8047 PRESSURE: 4497200 172.524 -21.0007 8.35435 -21.0015 -14.6424 -16.4568 8.35415 -16.4567 116.138 GPRESSURE: 4497200 237.608 -63.807 -36.7163 1.6241 -20.3347 73.2996 -10.5924 -107.613 161.709 PRESSAVG: 4497200 10.4224 3.89303 -14.0225 3.89299 33.3505 34.827 -14.0224 34.8268 -34.6039 GPRESSAVG: 4497200 11.1788 3.36352 -14.845 2.47261 32.3754 36.2624 -15.301 34.2627 -33.8788 TIMING: 4497200 CPU: 13355.7, 0.00289212/step Wall: 13355.7, 0.00289212/step, 0.403933 hours remaining, 209.449219 MB of memory in use. ENERGY: 4497200 736.5775 2101.0706 1966.3387 117.0928 -206827.4123 18281.2260 0.0000 0.0000 34337.5092 -149287.5976 299.8780 -183625.1068 -149193.4532 298.7399 91.3398 126.3276 558853.7818 3.0563 3.2251 PRESSURE: 4497400 -2.27388 -120.548 110.519 -120.548 -273.75 86.3288 110.519 86.3274 -312.574 GPRESSURE: 4497400 -2.45523 -80.3049 159.895 -48.2765 -184.401 81.6637 35.9752 52.5802 -314.865 PRESSAVG: 4497400 77.2329 10.859 -6.23552 10.859 4.63327 -29.9162 -6.23547 -29.9163 -72.6786 GPRESSAVG: 4497400 76.9401 12.4433 -3.35044 9.59808 4.53847 -30.9714 -8.00812 -28.2537 -72.6871 TIMING: 4497400 CPU: 13356.3, 0.00288806/step Wall: 13356.3, 0.00288806/step, 0.403205 hours remaining, 209.449219 MB of memory in use. ENERGY: 4497400 774.5556 2101.4484 1941.5540 120.9992 -206317.7370 17632.6920 0.0000 0.0000 34349.5907 -149396.8971 299.9835 -183746.4878 -149295.4248 299.4826 -196.1992 -167.2407 558066.3339 3.0625 2.9305 PRESSURE: 4497600 -214.021 -8.82724 -65.4318 -8.8258 118.937 116.252 -65.4307 116.25 40.8283 GPRESSURE: 4497600 -196.266 -27.1926 -73.8477 -54.456 146.741 125.216 -36.5926 158.849 90.705 PRESSAVG: 4497600 -3.27182 -19.6965 -39.818 -19.6966 12.8621 57.1582 -39.818 57.1582 -49.0348 GPRESSAVG: 4497600 -1.51568 -21.4787 -41.4172 -17.0931 12.686 59.4676 -35.4877 57.7074 -50.1101 TIMING: 4497600 CPU: 13356.8, 0.00290227/step Wall: 13356.8, 0.00290227/step, 0.405029 hours remaining, 209.449219 MB of memory in use. ENERGY: 4497600 738.8223 2031.9118 1922.5044 121.5891 -206317.5619 17805.3272 0.0000 0.0000 34237.5765 -149459.8305 299.0053 -183697.4070 -149364.8718 298.6446 -18.0855 13.7265 556457.6235 -13.1482 -12.9799 PRESSURE: 4497800 36.6671 15.3883 37.6714 15.389 265.719 219.177 37.6716 219.177 -67.4921 GPRESSURE: 4497800 13.7056 10.3557 24.9368 -22.2351 257.758 212.517 10.1189 196.084 56.4784 PRESSAVG: 4497800 -23.3 28.0188 27.5685 28.0189 67.9109 30.0047 27.5685 30.0047 -24.4863 GPRESSAVG: 4497800 -24.7374 28.3312 26.8225 25.7427 68.636 28.0301 23.679 30.0125 -24.2734 TIMING: 4497800 CPU: 13357.4, 0.00289729/step Wall: 13357.4, 0.00289729/step, 0.404172 hours remaining, 209.449219 MB of memory in use. ENERGY: 4497800 702.3390 2027.3036 1950.1422 114.5064 -206942.4177 18125.0303 0.0000 0.0000 34366.4620 -149656.6344 300.1309 -184023.0963 -149560.0405 299.0655 78.2980 109.3140 555370.5860 6.7082 6.5417 PRESSURE: 4498000 -59.7457 -91.4499 57.6199 -91.4495 -16.4406 -5.53197 57.62 -5.53268 178.26 GPRESSURE: 4498000 -26.1 -56.4629 15.1569 -76.3822 -14.7237 28.3406 118.248 -41.1519 234.982 PRESSAVG: 4498000 19.7161 11.8485 -8.00155 11.8485 -7.08066 -2.93146 -8.00159 -2.93157 -35.3986 GPRESSAVG: 4498000 19.7364 13.239 -7.38375 13.3331 -7.99187 -3.24361 -7.68456 -2.94887 -35.0304 TIMING: 4498000 CPU: 13358, 0.00290211/step Wall: 13358, 0.00290211/step, 0.404684 hours remaining, 209.449219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4498000 712.3797 2097.7276 1944.3084 128.6179 -206323.1314 17863.4694 0.0000 0.0000 33936.8025 -149639.8260 296.3785 -183576.6284 -149553.9985 298.5441 34.0246 64.7195 556971.4054 -7.5877 -7.7620 PRESSURE: 4498200 304.169 265.947 2.90294 265.948 -227.971 -192.195 2.90364 -192.196 -11.4097 GPRESSURE: 4498200 369.855 256.875 -32.8956 300.323 -142.696 -207.815 15.2867 -238.444 -57.8998 PRESSAVG: 4498200 43.4243 19.4311 33.6424 19.4311 -3.2146 -39.1267 33.6424 -39.1268 -29.9426 GPRESSAVG: 4498200 42.8228 20.0488 35.6888 17.6139 -2.58071 -38.049 34.293 -39.3916 -30.1501 TIMING: 4498200 CPU: 13358.6, 0.00291625/step Wall: 13358.6, 0.00291625/step, 0.406492 hours remaining, 209.449219 MB of memory in use. ENERGY: 4498200 758.4139 2049.0081 1945.4750 122.6535 -206472.0034 17958.3986 0.0000 0.0000 33995.0336 -149643.0207 296.8871 -183638.0543 -149543.9904 297.5029 21.5961 56.4197 557535.9055 3.4224 3.3640 PRESSURE: 4498400 -112.996 -41.0797 -13.786 -41.0797 -117.258 -100.844 -13.7856 -100.843 155.747 GPRESSURE: 4498400 -95.5319 23.4403 -63.2721 -46.2998 -52.8715 -119.41 107.379 -63.574 167.179 PRESSAVG: 4498400 52.3618 -0.310819 14.026 -0.310797 -29.9905 -25.1449 14.026 -25.1449 -2.95471 GPRESSAVG: 4498400 52.3236 -0.310109 13.4985 0.43163 -29.2197 -26.1153 15.538 -25.4028 -3.88029 TIMING: 4498400 CPU: 13359.2, 0.0029116/step Wall: 13359.2, 0.0029116/step, 0.405684 hours remaining, 209.449219 MB of memory in use. ENERGY: 4498400 758.7738 2102.9681 1943.0846 122.3314 -206335.9713 17826.7240 0.0000 0.0000 34217.8961 -149364.1932 298.8334 -183582.0893 -149268.2311 298.7849 -24.8355 6.2585 557522.6493 6.4722 6.4079 PRESSURE: 4498600 -26.7785 0.634368 4.14896 0.6356 -159.551 -114.808 4.14975 -114.807 -258.616 GPRESSURE: 4498600 -17.8299 -6.77345 89.9712 -78.7086 -144.294 -88.586 -42.577 -87.3242 -200.536 PRESSAVG: 4498600 15.6677 40.7826 6.85491 40.7827 -19.0793 10.1365 6.85491 10.1364 11.6167 GPRESSAVG: 4498600 15.3578 39.3769 3.93331 42.2696 -18.2759 10.1588 8.44272 10.9706 11.2829 TIMING: 4498600 CPU: 13359.8, 0.00295146/step Wall: 13359.8, 0.00295146/step, 0.411073 hours remaining, 209.449219 MB of memory in use. ENERGY: 4498600 774.8100 2155.0554 1955.7047 122.5987 -206535.2028 17823.7208 0.0000 0.0000 34070.9474 -149632.3657 297.5501 -183703.3131 -149530.3763 298.1786 -148.3154 -120.8864 557844.8874 2.7350 2.7883 PRESSURE: 4498800 -24.9646 -149.193 -34.3364 -149.193 -374.583 103.343 -34.3373 103.345 -317.725 GPRESSURE: 4498800 -46.4074 -154.721 38.7459 -78.6034 -329.157 94.547 -9.47394 106.596 -253.126 PRESSAVG: 4498800 -53.019 9.79371 -14.0192 9.79375 15.2691 -0.119132 -14.0191 -0.119059 -3.09364 GPRESSAVG: 4498800 -52.9024 7.86121 -12.5171 11.5439 14.8607 -0.21626 -15.896 -0.67893 -3.11762 TIMING: 4498800 CPU: 13360.3, 0.00294497/step Wall: 13360.3, 0.00294497/step, 0.410005 hours remaining, 209.449219 MB of memory in use. ENERGY: 4498800 753.2642 2115.4591 1941.0000 102.3688 -205957.4153 17417.4735 0.0000 0.0000 34068.5412 -149559.3084 297.5290 -183627.8496 -149456.9104 298.2045 -239.0907 -209.5634 558726.4582 -13.6145 -13.7198 PRESSURE: 4499000 35.9142 -35.1953 -42.0546 -35.1953 -44.3967 -60.1909 -42.0548 -60.1918 19.8767 GPRESSURE: 4499000 52.6369 -18.4963 37.4688 18.6561 -5.51117 -64.5235 -108.625 -68.9646 56.6938 PRESSAVG: 4499000 10.7188 27.6388 10.8219 27.6388 4.35856 16.6936 10.8218 16.6937 -6.288 GPRESSAVG: 4499000 10.993 28.4151 12.4566 25.3589 4.66182 17.0728 11.8783 17.8246 -6.45624 TIMING: 4499000 CPU: 13360.9, 0.00294086/step Wall: 13360.9, 0.00294086/step, 0.409269 hours remaining, 209.449219 MB of memory in use. ENERGY: 4499000 719.8734 2036.8668 1955.1289 110.6517 -206539.4734 17955.4583 0.0000 0.0000 34131.6037 -149629.8907 298.0798 -183761.4943 -149533.6292 297.6918 3.7981 34.6065 557135.8744 2.9298 3.0662 PRESSURE: 4499200 -21.618 -56.9654 -7.2076 -56.9648 58.0941 40.6989 -7.20647 40.6982 -182.573 GPRESSURE: 4499200 96.6948 36.8055 24.5465 -131.598 60.3244 62.4193 27.9081 60.5272 -207.957 PRESSAVG: 4499200 -40.8344 -9.46523 -36.1446 -9.46531 17.024 37.0883 -36.1446 37.0882 18.3569 GPRESSAVG: 4499200 -40.4054 -8.31271 -37.818 -8.97316 16.8092 37.122 -37.1783 37.58 18.0644 TIMING: 4499200 CPU: 13361.5, 0.00293639/step Wall: 13361.5, 0.00293639/step, 0.408484 hours remaining, 209.449219 MB of memory in use. ENERGY: 4499200 761.4194 2114.5060 1924.0943 105.9887 -206560.7139 17878.3384 0.0000 0.0000 34253.5138 -149522.8534 299.1445 -183776.3672 -149426.6041 298.5105 -48.6988 -16.9792 558116.1585 -1.8178 -1.8439 PRESSURE: 4499400 -206.412 -14.7653 -72.6415 -14.7659 58.6076 152.856 -72.6404 152.857 -244.942 GPRESSURE: 4499400 -131.791 56.8071 -71.7687 65.0384 41.0755 237.19 -103.22 68.087 -209.886 PRESSAVG: 4499400 -6.03958 -2.16747 -16.3049 -2.16747 2.35108 89.9585 -16.3049 89.9585 -20.3022 GPRESSAVG: 4499400 -6.84791 -4.56935 -16.548 -0.198701 2.36938 89.2316 -18.0794 89.1078 -19.7012 TIMING: 4499400 CPU: 13362.1, 0.00293872/step Wall: 13362.1, 0.00293872/step, 0.408646 hours remaining, 209.515625 MB of memory in use. ENERGY: 4499400 756.9050 2100.0174 1936.9514 112.3179 -206425.6553 17704.5412 0.0000 0.0000 34215.5536 -149599.3687 298.8129 -183814.9224 -149499.8829 298.5605 -130.9156 -100.2007 558032.5972 -7.9969 -8.0599 PRESSURE: 4499600 48.8619 104.928 -158.734 104.928 41.327 133.757 -158.733 133.757 167.504 GPRESSURE: 4499600 122.343 29.6822 -103.872 73.6708 126.993 144.277 -141.183 141.375 115.236 PRESSAVG: 4499600 -13.5317 -7.48062 10.1626 -7.48052 8.37393 50.8606 10.1627 50.8604 -0.64714 GPRESSAVG: 4499600 -13.0767 -5.36816 8.5476 -9.1604 7.95112 51.567 13.4801 50.689 -0.789 TIMING: 4499600 CPU: 13362.7, 0.00293731/step Wall: 13362.7, 0.00293731/step, 0.408286 hours remaining, 209.515625 MB of memory in use. ENERGY: 4499600 731.6101 2026.1372 1947.9899 114.1652 -206590.3700 17921.4465 0.0000 0.0000 34387.2530 -149461.7682 300.3124 -183849.0212 -149372.4762 298.5914 85.8977 121.5240 558081.9210 -1.9350 -1.9715 PRESSURE: 4499800 -30.0702 13.9388 -176.165 13.938 93.9161 12.9135 -176.163 12.9139 -86.9617 GPRESSURE: 4499800 3.74008 7.56782 -92.1613 6.43123 169.98 -52.204 -141.797 36.3325 -91.9131 PRESSAVG: 4499800 11.4769 -25.346 -81.8581 -25.346 40.484 91.8221 -81.8581 91.8222 -38.9433 GPRESSAVG: 4499800 12.3308 -26.7585 -80.4644 -24.1872 40.0917 89.7003 -82.2609 93.6222 -39.8359 TIMING: 4499800 CPU: 13363.3, 0.00295689/step Wall: 13363.3, 0.00295689/step, 0.410843 hours remaining, 209.515625 MB of memory in use. ENERGY: 4499800 735.6173 2074.1472 1953.6673 119.2190 -206721.2060 18087.0199 0.0000 0.0000 34036.4490 -149715.0864 297.2488 -183751.5354 -149616.6853 298.6841 -7.7053 27.2689 558383.5487 4.3392 4.1955 PRESSURE: 4500000 -195.956 -66.6409 6.45516 -66.6415 133.81 8.89142 6.45598 8.89131 204.847 GPRESSURE: 4500000 -97.5836 -96.4825 21.4021 -92.355 116.98 -9.07763 104.296 -26.5838 217.098 PRESSAVG: 4500000 9.59147 -2.49452 -24.0604 -2.49458 -27.0073 53.5244 -24.0603 53.5244 0.78737 GPRESSAVG: 4500000 9.43059 -1.36971 -24.3983 -3.05284 -27.4808 54.0726 -24.355 53.3839 0.993889 TIMING: 4500000 CPU: 13363.9, 0.00293611/step Wall: 13363.9, 0.00293611/step, 0.407793 hours remaining, 209.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4500000 747.3148 2095.4280 1913.9537 101.8355 -206515.2473 17964.6134 0.0000 0.0000 33965.3905 -149726.7114 296.6282 -183692.1020 -149632.2383 298.2522 47.5671 78.8316 556870.6299 -5.5428 -5.6854 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4500000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 4500000 WRITING COORDINATES TO RESTART FILE AT STEP 4500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4500200 -112.935 -180.646 -37.3587 -180.646 -77.1179 56.259 -37.3598 56.2601 -48.8585 GPRESSURE: 4500200 -117.275 -142.905 -17.0692 -110.332 -99.4167 37.5854 -106.862 45.3708 82.4734 PRESSAVG: 4500200 15.7236 34.7814 26.4864 34.7814 -57.5621 3.43615 26.4865 3.43612 7.66849 GPRESSAVG: 4500200 16.1287 35.8084 27.9272 34.0887 -58.6378 3.51244 23.1793 2.84036 8.76161 TIMING: 4500200 CPU: 13364.5, 0.00304026/step Wall: 13364.5, 0.00304026/step, 0.422089 hours remaining, 209.515625 MB of memory in use. ENERGY: 4500200 724.7389 2046.4119 1936.4141 113.1363 -206470.7246 17859.8971 0.0000 0.0000 34357.0459 -149433.0803 300.0486 -183790.1262 -149331.1981 297.8495 -79.6372 -44.7394 557271.2047 -11.3900 -11.2492 LDB: ============= START OF LOAD BALANCING ============== 13368 LDB: ============== END OF LOAD BALANCING =============== 13368 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13368 LDB: ============= START OF LOAD BALANCING ============== 13368.3 LDB: Largest compute 4809 load 0.022378 is 18.9% of average load 0.118144 LDB: Average compute 0.001739 is 1.5% of average load 0.118144 LDB: TIME 13368.3 LOAD: AVG 0.118144 MAX 0.19517 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.188 MB LDB: TIME 13368.3 LOAD: AVG 0.118144 MAX 0.19517 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.188 MB LDB: TIME 13368.3 LOAD: AVG 0.118144 MAX 0.19517 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13368.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13368.3 PRESSURE: 4500400 -197.777 281.656 168.124 281.655 -280.28 38.3628 168.125 38.3632 -323.782 GPRESSURE: 4500400 -218.663 231.029 169.949 291.966 -214.597 92.0457 211.377 13.8551 -280.775 PRESSAVG: 4500400 7.13354 -1.27763 -0.824916 -1.27776 -5.99608 39.9172 -0.824895 39.9172 35.4056 GPRESSAVG: 4500400 6.12721 -2.91475 -0.990993 -0.0761957 -4.84697 41.6194 1.79027 38.9747 35.0969 TIMING: 4500400 CPU: 13365.1, 0.00299844/step Wall: 13365.1, 0.00299844/step, 0.416117 hours remaining, 208.351562 MB of memory in use. ENERGY: 4500400 753.5317 2087.0862 1939.1124 120.6767 -205862.6354 17329.5344 0.0000 0.0000 34281.2617 -149351.4323 299.3868 -183632.6940 -149257.4149 299.4940 -267.2797 -238.0114 557515.9509 12.1810 12.1257 PRESSURE: 4500600 504.476 79.8101 183.7 79.8096 110.918 -35.1584 183.698 -35.1576 90.4695 GPRESSURE: 4500600 515.28 100.693 164.748 85.394 111.988 -81.4842 213.755 -52.5513 166.254 PRESSAVG: 4500600 32.4789 28.0734 31.1147 28.0733 -32.9259 4.11207 31.1147 4.11205 -20.7692 GPRESSAVG: 4500600 33.4726 26.9848 31.4446 27.8576 -32.0762 0.240064 29.6666 4.22324 -22.071 TIMING: 4500600 CPU: 13365.7, 0.00293727/step Wall: 13365.7, 0.00293727/step, 0.407465 hours remaining, 208.351562 MB of memory in use. ENERGY: 4500600 732.5085 2121.7993 1899.3069 110.8040 -206497.5994 18092.6603 0.0000 0.0000 34346.6696 -149193.8508 299.9580 -183540.5204 -149098.2542 299.5091 235.2878 264.5072 557025.7159 -7.0721 -6.8916 PRESSURE: 4500800 213.539 0.264114 -15.5908 0.263404 157.34 46.8412 -15.5933 46.8432 56.0884 GPRESSURE: 4500800 212.167 122.08 7.91455 -119.561 205.82 -16.5915 -62.8726 64.8669 109.338 PRESSAVG: 4500800 -7.77759 8.23184 30.3724 8.23183 24.4327 -18.0418 30.3724 -18.0417 -28.3122 GPRESSAVG: 4500800 -8.71362 8.75159 29.6781 8.75429 23.3926 -16.066 31.4047 -17.7216 -26.4866 TIMING: 4500800 CPU: 13366.3, 0.00292344/step Wall: 13366.3, 0.00292344/step, 0.405384 hours remaining, 208.390625 MB of memory in use. ENERGY: 4500800 715.8947 2076.5892 1966.1180 108.9166 -206615.8779 18016.8387 0.0000 0.0000 34452.2570 -149279.2638 300.8801 -183731.5208 -149186.1936 299.5405 142.3222 175.7747 557254.9130 -3.8857 -3.9359 PRESSURE: 4501000 -0.319122 -49.5011 -134.92 -49.5015 -288.717 -32.2301 -134.92 -32.2301 -154.695 GPRESSURE: 4501000 85.6352 -142.547 -79.9203 -32.194 -284.147 -7.50301 -70.4456 -88.9403 -146.349 PRESSAVG: 4501000 50.3038 -14.7737 16.2002 -14.7737 -33.1897 69.1186 16.2002 69.1186 0.460346 GPRESSAVG: 4501000 51.05 -14.1706 15.4884 -15.8442 -32.9625 70.5018 16 68.4476 -0.229838 TIMING: 4501000 CPU: 13366.8, 0.00291165/step Wall: 13366.8, 0.00291165/step, 0.403587 hours remaining, 208.390625 MB of memory in use. ENERGY: 4501000 756.6846 2095.4452 1973.1335 113.9453 -205963.4466 17682.7230 0.0000 0.0000 34257.0233 -149084.4918 299.1751 -183341.5151 -148981.8345 298.9158 -147.9104 -114.9536 559306.9472 5.8581 5.9525 PRESSURE: 4501200 -57.8489 43.2596 173.018 43.2595 -114.865 139.537 173.018 139.538 -24.1308 GPRESSURE: 4501200 -59.5766 -12.6704 188.396 -9.34176 -66.3464 104.074 165.652 212.912 15.5864 PRESSAVG: 4501200 13.4601 -6.72879 -16.1704 -6.72883 21.2336 61.4146 -16.1704 61.4146 -21.4719 GPRESSAVG: 4501200 12.8818 -4.24762 -16.6778 -9.19911 22.2374 59.6761 -14.363 61.8825 -21.5222 TIMING: 4501200 CPU: 13367.4, 0.00292163/step Wall: 13367.4, 0.00292163/step, 0.404808 hours remaining, 208.390625 MB of memory in use. ENERGY: 4501200 750.3305 2100.2634 1940.4662 115.1601 -205861.8857 17589.1671 0.0000 0.0000 34359.9432 -149006.5553 300.0739 -183366.4984 -148909.6371 299.1028 -65.6150 -36.7789 558736.4297 4.4072 4.5323 PRESSURE: 4501400 -31.0787 -73.006 62.8007 -73.0066 -283.175 163.139 62.7996 163.138 161.036 GPRESSURE: 4501400 -16.4992 -36.9845 109.747 -64.6363 -218.459 125.964 -10.7423 212.655 166.91 PRESSAVG: 4501400 10.4756 -29.0127 3.00172 -29.0129 26.8416 0.637044 3.00165 0.637269 6.74556 GPRESSAVG: 4501400 12.1317 -28.8418 3.03347 -27.0228 26.301 2.72379 2.55605 -1.12776 4.96631 TIMING: 4501400 CPU: 13368, 0.00292544/step Wall: 13368, 0.00292544/step, 0.405173 hours remaining, 208.390625 MB of memory in use. ENERGY: 4501400 775.7970 2063.4618 1938.4151 110.9834 -206084.0816 17824.9870 0.0000 0.0000 33936.1771 -149434.2602 296.3731 -183370.4373 -149335.9099 298.4019 -51.0726 -22.6829 557074.4453 14.6876 14.4664 PRESSURE: 4501600 83.5546 37.6716 9.86335 37.6709 -174.938 25.9201 9.86271 25.919 -215.706 GPRESSURE: 4501600 77.7809 39.4522 40.1894 -6.83816 -175.029 36.4815 51.3846 17.096 -114.975 PRESSAVG: 4501600 -12.3758 -37.8896 1.54988 -37.8896 -39.6344 22.0303 1.54986 22.0303 -4.58989 GPRESSAVG: 4501600 -13.0374 -39.8785 1.13963 -37.8052 -40.821 22.0664 1.59968 24.0662 -2.91302 TIMING: 4501600 CPU: 13368.6, 0.00295339/step Wall: 13368.6, 0.00295339/step, 0.40888 hours remaining, 208.390625 MB of memory in use. ENERGY: 4501600 748.2637 2112.0308 1935.9640 97.8336 -206225.5456 17671.6944 0.0000 0.0000 34347.7834 -149311.9757 299.9677 -183659.7591 -149222.2445 298.1383 -102.3632 -70.7410 559327.5352 -18.8667 -18.9238 PRESSURE: 4501800 -313.922 -25.8926 -73.3837 -25.8907 -29.0829 -133.75 -73.3844 -133.752 -257.737 GPRESSURE: 4501800 -255.701 -109.25 -25.9561 -30.8869 26.4474 -95.8787 -33.398 -127.644 -276.924 PRESSAVG: 4501800 -73.3402 7.50012 -38.3191 7.50015 34.829 -23.8519 -38.3192 -23.8519 32.6231 GPRESSAVG: 4501800 -74.3055 8.65696 -40.0266 7.88531 35.8056 -26.5532 -38.0329 -23.5562 32.4791 TIMING: 4501800 CPU: 13369.2, 0.00294571/step Wall: 13369.2, 0.00294571/step, 0.407653 hours remaining, 208.390625 MB of memory in use. ENERGY: 4501800 734.6648 2133.0622 1938.1424 106.3825 -205724.4587 17429.6371 0.0000 0.0000 34220.0017 -149162.5680 298.8518 -183382.5696 -149065.3190 298.3814 -200.2475 -168.7259 560214.1884 -1.9627 -2.0069 PRESSURE: 4502000 243.858 69.9021 140.924 69.9019 127.876 -71.5188 140.923 -71.5194 -114.438 GPRESSURE: 4502000 234.115 98.0437 23.3834 -40.4983 160.524 -9.87479 185.819 -81.3237 -46.7961 PRESSAVG: 4502000 31.3928 20.1584 -10.3386 20.1585 -12.1016 44.329 -10.3387 44.3292 2.00677 GPRESSAVG: 4502000 31.5969 19.6816 -7.7785 18.9231 -12.5909 45.3962 -9.0759 42.6396 1.62944 TIMING: 4502000 CPU: 13369.8, 0.00297838/step Wall: 13369.8, 0.00297838/step, 0.412009 hours remaining, 208.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4502000 748.0723 2049.7242 1928.5168 103.7149 -206189.8356 17927.6035 0.0000 0.0000 34299.0256 -149133.1782 299.5419 -183432.2038 -149033.3602 299.5289 85.7655 115.9474 559417.9375 7.0993 6.8785 PRESSURE: 4502200 -107.55 18.7413 56.9229 18.7419 97.6611 78.1461 56.9225 78.1462 -160.499 GPRESSURE: 4502200 -77.14 26.3362 7.44426 78.9033 73.4856 105.565 101.235 126.754 -85.0731 PRESSAVG: 4502200 112.606 19.4829 32.9952 19.4829 -66.8468 25.6215 32.9952 25.6214 15.7832 GPRESSAVG: 4502200 112.222 19.1967 33.3529 18.5109 -66.943 27.5586 31.7021 25.5518 16.1741 TIMING: 4502200 CPU: 13370.4, 0.00295173/step Wall: 13370.4, 0.00295173/step, 0.408158 hours remaining, 208.390625 MB of memory in use. ENERGY: 4502200 729.9957 2104.9336 1948.5904 107.6660 -206172.8643 17945.6228 0.0000 0.0000 34249.6325 -149086.4233 299.1106 -183336.0558 -148981.7751 299.6827 -56.7961 -29.5758 557942.3314 20.5141 20.4844 PRESSURE: 4502400 -143.703 7.71603 336.448 7.71662 -4.55331 -90.9173 336.448 -90.9162 6.19074 GPRESSURE: 4502400 -154.626 -15.548 221.52 -14.8935 -25.845 -13.5464 337.489 -128.514 133.868 PRESSAVG: 4502400 1.17765 -37.1087 41.9926 -37.1086 18.963 73.1674 41.9927 73.1673 -41.6755 GPRESSAVG: 4502400 1.4546 -37.5439 39.9033 -36.4702 18.2581 72.9888 41.0009 71.9557 -40.5002 TIMING: 4502400 CPU: 13371, 0.00296179/step Wall: 13371, 0.00296179/step, 0.409386 hours remaining, 208.390625 MB of memory in use. ENERGY: 4502400 714.8740 2133.5966 1964.1485 109.1721 -205870.4091 17555.3694 0.0000 0.0000 34357.2876 -149035.9608 300.0507 -183393.2484 -148940.4264 299.8419 -47.3552 -15.5343 557597.3026 -7.1783 -6.9292 PRESSURE: 4502600 -152.413 -46.8102 -143.222 -46.8098 -51.2404 21.1902 -143.221 21.191 105.87 GPRESSURE: 4502600 -67.3475 -92.6105 -227.606 -37.338 -52.8271 1.59461 -97.9172 43.8582 122.229 PRESSAVG: 4502600 31.0662 -8.82965 6.59844 -8.82962 -48.2669 18.958 6.59844 18.958 65.4719 GPRESSAVG: 4502600 30.8691 -7.19244 7.79826 -8.53505 -48.0866 15.9384 7.50736 20.9111 65.7612 TIMING: 4502600 CPU: 13371.6, 0.00294039/step Wall: 13371.6, 0.00294039/step, 0.406263 hours remaining, 208.390625 MB of memory in use. ENERGY: 4502600 768.0238 2090.7110 1942.3272 119.1765 -206484.0093 17901.9515 0.0000 0.0000 34504.0151 -149157.8043 301.3321 -183661.8194 -149058.2792 299.7581 -32.5944 0.6847 557352.2857 16.0904 16.1812 PRESSURE: 4502800 44.4699 213.961 91.5277 213.962 161.106 51.3241 91.5264 51.3241 16.2034 GPRESSURE: 4502800 44.6904 255.651 188.403 230.095 262.971 61.7039 87.8435 129.296 22.0753 PRESSAVG: 4502800 9.6954 -49.1156 -35.5338 -49.1155 26.6749 37.7955 -35.5337 37.7954 -2.63352 GPRESSAVG: 4502800 9.45797 -50.0022 -36.7289 -48.9997 27.4718 38.8983 -33.7628 37.5456 -3.38957 TIMING: 4502800 CPU: 13372.2, 0.00297497/step Wall: 13372.2, 0.00297497/step, 0.410876 hours remaining, 208.390625 MB of memory in use. ENERGY: 4502800 724.3072 2124.1027 1932.0223 104.4106 -206474.3798 17975.7535 0.0000 0.0000 34418.3924 -149195.3910 300.5844 -183613.7834 -149101.6926 299.2513 73.9266 109.9122 558898.6496 11.2456 11.1801 PRESSURE: 4503000 47.2505 -122.036 123.529 -122.036 -114.691 46.3994 123.526 46.4004 -18.8002 GPRESSURE: 4503000 79.0603 -260.099 155.923 -84.2656 -100.123 137.184 111.972 -46.5539 32.7984 PRESSAVG: 4503000 63.1367 11.3721 -20.4791 11.3722 -52.8777 51.1729 -20.4792 51.1729 -34.398 GPRESSAVG: 4503000 63.0396 10.6823 -21.1601 11.2576 -52.0522 52.0532 -22.5006 51.3671 -34.1781 TIMING: 4503000 CPU: 13372.7, 0.00295436/step Wall: 13372.7, 0.00295436/step, 0.407866 hours remaining, 208.390625 MB of memory in use. ENERGY: 4503000 717.1637 2092.7051 1930.4462 114.8281 -206218.0044 17745.0613 0.0000 0.0000 34321.2139 -149296.5861 299.7357 -183617.8001 -149203.5828 299.1342 -28.7469 3.9120 557439.8127 -8.0464 -7.7303 PRESSURE: 4503200 -55.8748 218.25 -98.2768 218.25 -84.2804 -208.379 -98.2752 -208.379 172.311 GPRESSURE: 4503200 23.8733 188.505 -113.207 182.42 -51.3489 -180.129 -129.74 -228.469 148.418 PRESSAVG: 4503200 49.2676 6.07948 20.8258 6.07954 -11.4136 -22.3197 20.8258 -22.3196 -22.6513 GPRESSAVG: 4503200 49.6178 6.34424 21.6216 4.87177 -12.0385 -23.1221 18.3207 -23.5132 -22.9541 TIMING: 4503200 CPU: 13373.3, 0.00293719/step Wall: 13373.3, 0.00293719/step, 0.405332 hours remaining, 208.390625 MB of memory in use. ENERGY: 4503200 737.8027 2087.2986 1930.8395 136.7633 -206383.8221 18045.8604 0.0000 0.0000 34277.7510 -149167.5066 299.3561 -183445.2576 -149072.2001 299.2665 10.7185 40.3142 557814.3697 5.0676 4.8751 PRESSURE: 4503400 31.2725 -75.1904 108.344 -75.1906 -76.3115 -143.18 108.345 -143.18 -153.979 GPRESSURE: 4503400 75.8028 -129.174 115.382 -53.2518 -57.1758 -60.5596 111.686 -203.65 -125.327 PRESSAVG: 4503400 49.0303 -44.739 20.0986 -44.739 -44.0449 -52.5145 20.0987 -52.5146 -0.0644732 GPRESSAVG: 4503400 47.7842 -46.2263 20.9965 -42.7584 -44.5568 -51.8209 23.8064 -50.2996 1.36157 TIMING: 4503400 CPU: 13373.9, 0.00292223/step Wall: 13373.9, 0.00292223/step, 0.403106 hours remaining, 208.390625 MB of memory in use. ENERGY: 4503400 750.4436 2104.4317 1941.7970 107.4339 -206514.4644 17827.0857 0.0000 0.0000 34606.2314 -149177.0412 302.2248 -183783.2725 -149081.2969 299.5117 -66.3393 -35.5666 556662.7232 1.6403 1.5297 PRESSURE: 4503600 14.1107 -38.9801 18.1034 -38.9804 -455.317 -51.274 18.1033 -51.2731 -90.8205 GPRESSURE: 4503600 43.434 -62.748 -41.0121 7.17524 -365.538 -11.3261 -10.6486 -86.2114 -133.323 PRESSAVG: 4503600 63.2254 -60.3049 31.5773 -60.3048 -6.14375 -7.64873 31.5774 -7.64873 -34.1324 GPRESSAVG: 4503600 64.0267 -58.0978 30.1357 -62.9964 -7.21373 -9.01202 30.8529 -7.48353 -33.8414 TIMING: 4503600 CPU: 13374.5, 0.0029216/step Wall: 13374.5, 0.0029216/step, 0.402856 hours remaining, 208.390625 MB of memory in use. ENERGY: 4503600 734.5082 2108.8812 1938.2242 102.6114 -206002.9340 17598.6034 0.0000 0.0000 34369.5353 -149150.5702 300.1577 -183520.1055 -149045.4457 299.9640 -177.3421 -151.8091 558653.6677 7.6498 7.6572 PRESSURE: 4503800 125.983 -22.5809 -72.6217 -22.5812 39.9515 -108.078 -72.6208 -108.079 -71.698 GPRESSURE: 4503800 150.753 -62.7378 -85.0781 -17.0752 59.1369 -99.7835 -0.0814012 -164.165 -20.5998 PRESSAVG: 4503800 107.451 11.6123 63.5836 11.6123 -28.1428 -53.8167 63.5837 -53.8167 1.62163 GPRESSAVG: 4503800 107.374 10.6838 64.1368 15.4403 -27.2834 -52.0956 63.3691 -54.8623 1.02108 TIMING: 4503800 CPU: 13375.1, 0.00293371/step Wall: 13375.1, 0.00293371/step, 0.404363 hours remaining, 208.390625 MB of memory in use. ENERGY: 4503800 747.0187 2066.0360 1914.4452 109.9808 -206277.6404 17904.3708 0.0000 0.0000 34362.4018 -149173.3870 300.0954 -183535.7888 -149083.1501 298.8942 31.4120 63.0968 557734.0387 26.9767 27.0373 PRESSURE: 4504000 -33.319 156.984 79.5631 156.985 43.2381 53.4381 79.5623 53.4375 -16.8489 GPRESSURE: 4504000 83.118 165.236 125.063 72.5822 91.365 54.9066 76.3447 -25.6727 -87.3179 PRESSAVG: 4504000 38.8718 38.6218 25.5587 38.6217 -8.52361 -21.9578 25.5587 -21.9579 -40.6921 GPRESSAVG: 4504000 39.0143 36.6577 24.8046 36.4692 -8.92008 -21.4846 25.0146 -21.7168 -40.3648 TIMING: 4504000 CPU: 13375.7, 0.00293839/step Wall: 13375.7, 0.00293839/step, 0.404845 hours remaining, 208.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4504000 725.1881 2097.7301 1927.8873 120.6903 -205979.9921 17742.3682 0.0000 0.0000 34144.0055 -149222.1225 298.1881 -183366.1280 -149123.0613 299.6360 -2.3099 29.0551 558481.4907 -3.4480 -3.4235 PRESSURE: 4504200 42.4502 -16.9813 -41.0797 -16.9804 -45.7569 -8.54463 -41.08 -8.54587 125.951 GPRESSURE: 4504200 69.1288 -60.3769 -12.1751 -8.35858 19.5889 -4.55988 -52.2323 40.6493 126.158 PRESSAVG: 4504200 62.7277 -8.53604 -53.6494 -8.53605 -47.578 -20.0428 -53.6493 -20.0428 -26.3475 GPRESSAVG: 4504200 61.37 -6.36406 -53.3344 -7.57783 -47.0329 -21.1311 -52.2955 -19.2216 -25.7783 TIMING: 4504200 CPU: 13376.3, 0.00294809/step Wall: 13376.3, 0.00294809/step, 0.406017 hours remaining, 208.390625 MB of memory in use. ENERGY: 4504200 741.4288 2056.8385 1935.7790 119.9700 -206290.1249 18018.1638 0.0000 0.0000 34401.8178 -149016.1271 300.4396 -183417.9449 -148925.4532 299.8398 40.8815 71.6253 557764.3584 -3.7326 -3.8137 LDB: ============= START OF LOAD BALANCING ============== 13379.8 LDB: ============== END OF LOAD BALANCING =============== 13379.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13379.8 LDB: ============= START OF LOAD BALANCING ============== 13380.1 LDB: Largest compute 4809 load 0.023259 is 19.7% of average load 0.118189 LDB: Average compute 0.001743 is 1.5% of average load 0.118189 LDB: TIME 13380.1 LOAD: AVG 0.118189 MAX 0.196929 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.863 MB LDB: TIME 13380.1 LOAD: AVG 0.118189 MAX 0.196929 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.934 MB LDB: TIME 13380.1 LOAD: AVG 0.118189 MAX 0.196929 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.934 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13380.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13380.1 PRESSURE: 4504400 22.9173 115.852 36.5112 115.853 -132.265 -21.7319 36.5116 -21.7314 26.201 GPRESSURE: 4504400 66.1306 133.646 59.4231 189.489 -103.455 -22.667 -21.4141 -19.3928 57.107 PRESSAVG: 4504400 53.4568 -2.27946 -8.92892 -2.27958 -2.39224 4.20466 -8.92896 4.20458 -21.3564 GPRESSAVG: 4504400 55.0856 -0.102914 -9.32237 -2.78313 -3.53385 4.82522 -7.86501 3.67567 -21.7272 TIMING: 4504400 CPU: 13376.9, 0.00300609/step Wall: 13376.9, 0.00300609/step, 0.413838 hours remaining, 210.343750 MB of memory in use. ENERGY: 4504400 721.2200 2061.3932 1929.5535 121.5123 -205779.8278 17688.7826 0.0000 0.0000 34370.6374 -148886.7286 300.1673 -183257.3661 -148785.3884 300.0449 -27.7155 6.5942 558441.2447 9.9027 9.9415 PRESSURE: 4504600 66.8903 -68.1928 -156.145 -68.1941 -91.0576 -79.6928 -156.145 -79.6927 44.0376 GPRESSURE: 4504600 162.503 20.6379 -190.639 -122.711 -129.24 -59.2393 -89.6657 -28.6507 80.779 PRESSAVG: 4504600 58.88 -7.75926 -5.43083 -7.75936 -27.9129 -11.1369 -5.4309 -11.1369 -30.2163 GPRESSAVG: 4504600 58.812 -10.0679 -5.85513 -5.37007 -27.0871 -9.82414 -7.45484 -12.1922 -30.5838 TIMING: 4504600 CPU: 13377.4, 0.00292811/step Wall: 13377.4, 0.00292811/step, 0.402941 hours remaining, 210.414062 MB of memory in use. ENERGY: 4504600 731.5023 2037.9335 1931.4529 105.0533 -206441.6184 17936.0903 0.0000 0.0000 34583.5148 -149116.0714 302.0264 -183699.5862 -149021.1910 299.0277 6.6234 38.0142 557893.0193 0.2503 0.3804 PRESSURE: 4504800 -108.586 -1.25878 -117.542 -1.25844 -205.673 29.1671 -117.542 29.1675 124.84 GPRESSURE: 4504800 -50.2199 47.7778 -98.0278 -52.4495 -193.299 -9.61438 -207.807 -36.622 148.867 PRESSAVG: 4504800 107.498 -10.3983 -32.2591 -10.3983 -56.5289 -12.8279 -32.2591 -12.8279 -33.0634 GPRESSAVG: 4504800 107.773 -10.0816 -32.7967 -11.3284 -56.082 -12.7633 -31.3941 -13.4581 -33.9506 TIMING: 4504800 CPU: 13378, 0.00293944/step Wall: 13378, 0.00293944/step, 0.404336 hours remaining, 210.414062 MB of memory in use. ENERGY: 4504800 730.4727 2058.9331 1957.2231 115.6108 -205893.1006 17886.9652 0.0000 0.0000 34314.2042 -148829.6915 299.6745 -183143.8957 -148734.4353 299.4275 -63.1398 -31.5507 560651.4925 5.9685 5.9133 PRESSURE: 4505000 -52.7862 -139.003 -82.475 -139.003 -176.487 -108.048 -82.476 -108.05 -8.36679 GPRESSURE: 4505000 -48.1923 -123.796 -10.5162 -145.225 -94.1127 -130.944 -126.483 -115.45 13.0724 PRESSAVG: 4505000 -2.85299 -12.7953 -74.2406 -12.7953 -8.09356 21.1633 -74.2406 21.1633 -23.5621 GPRESSAVG: 4505000 -3.0386 -13.6367 -71.4025 -13.5046 -8.60345 20.3346 -73.7267 21.3926 -22.5494 TIMING: 4505000 CPU: 13378.6, 0.00292906/step Wall: 13378.6, 0.00292906/step, 0.402746 hours remaining, 210.414062 MB of memory in use. ENERGY: 4505000 720.2064 2084.2934 1943.4716 122.3810 -205709.0493 17712.9337 0.0000 0.0000 34312.4011 -148813.3622 299.6587 -183125.7632 -148717.3079 299.6136 -79.2133 -43.0775 560195.7495 -11.5029 -11.3971 PRESSURE: 4505200 -156.591 -90.5392 -44.859 -90.5384 9.25464 131.154 -44.8583 131.153 -192.268 GPRESSURE: 4505200 -135.877 -66.2346 -85.8706 -119.45 65.1128 122.184 36.0898 109.716 -169.356 PRESSAVG: 4505200 9.42175 -18.527 -16.6586 -18.527 -21.793 15.7974 -16.6586 15.7973 4.63418 GPRESSAVG: 4505200 8.72038 -18.0621 -17.5336 -19.0118 -21.0377 16.1767 -18.115 16.6873 4.58655 TIMING: 4505200 CPU: 13379.2, 0.00292373/step Wall: 13379.2, 0.00292373/step, 0.401851 hours remaining, 210.414062 MB of memory in use. ENERGY: 4505200 752.7705 2059.2868 1918.5824 97.3817 -205838.1327 17781.3928 0.0000 0.0000 34262.0406 -148966.6780 299.2189 -183228.7186 -148875.4300 299.9438 -113.2016 -80.0401 560381.7533 -2.5790 -2.5769 PRESSURE: 4505400 67.8727 8.72198 -37.9807 8.72252 -128.18 -242.942 -37.9803 -242.944 -74.3202 GPRESSURE: 4505400 145.246 30.4701 -21.4703 9.82879 -152.826 -148.903 -118.238 -263.267 -33.4468 PRESSAVG: 4505400 5.79471 22.3359 35.1742 22.336 10.034 9.24284 35.1743 9.24276 -11.9167 GPRESSAVG: 4505400 7.18871 20.1748 34.2716 23.0437 8.43418 7.82472 34.6645 9.41942 -11.1995 TIMING: 4505400 CPU: 13379.8, 0.00291382/step Wall: 13379.8, 0.00291382/step, 0.400326 hours remaining, 210.414062 MB of memory in use. ENERGY: 4505400 729.6161 2083.6322 1948.9123 112.9892 -206029.8935 17697.5084 0.0000 0.0000 34254.0988 -149203.1365 299.1496 -183457.2353 -149101.2715 299.2820 -44.8757 -13.6758 557619.2908 1.3040 1.4745 PRESSURE: 4505600 -41.6612 -225.138 30.6507 -225.138 -93.6508 -5.38444 30.6504 -5.38559 -176.783 GPRESSURE: 4505600 -27.4485 -194.906 65.1029 -243.072 -79.8363 -79.1947 -63.2263 41.7148 -97.2849 PRESSAVG: 4505600 -22.49 -37.5151 -31.871 -37.515 20.9433 -58.7394 -31.871 -58.7394 6.48886 GPRESSAVG: 4505600 -23.164 -36.4889 -32.2648 -39.0475 21.429 -57.4243 -30.2494 -59.3313 6.83062 TIMING: 4505600 CPU: 13380.4, 0.00291274/step Wall: 13380.4, 0.00291274/step, 0.400017 hours remaining, 210.671875 MB of memory in use. ENERGY: 4505600 720.7193 2090.5968 1942.6332 103.8131 -205754.1902 17564.7446 0.0000 0.0000 34215.7305 -149115.9527 298.8145 -183331.6832 -149015.7777 299.2157 -104.0315 -68.1899 558615.4346 1.6474 1.6985 PRESSURE: 4505800 -68.4592 -1.09222 132.351 -1.09232 27.6937 30.6232 132.35 30.6237 112.955 GPRESSURE: 4505800 -34.9706 42.4625 128.661 -50.2936 -3.54618 91.3007 180.593 38.4178 203.049 PRESSAVG: 4505800 39.6546 19.9652 -2.35022 19.9652 -9.77482 40.5422 -2.35024 40.5422 12.608 GPRESSAVG: 4505800 39.2738 20.9711 -2.77732 22.4335 -7.97124 39.929 -2.37011 40.4597 11.4481 TIMING: 4505800 CPU: 13381, 0.00292966/step Wall: 13381, 0.00292966/step, 0.402177 hours remaining, 210.671875 MB of memory in use. ENERGY: 4505800 751.2082 2070.8957 1960.8288 106.7237 -206344.8591 18034.3677 0.0000 0.0000 34457.0357 -148963.7993 300.9219 -183420.8350 -148867.1366 300.3360 24.0630 54.8441 558764.1076 14.1626 14.2502 PRESSURE: 4506000 -176.75 -101.577 -9.55933 -101.578 49.9445 52.9497 -9.55961 52.9508 110.018 GPRESSURE: 4506000 -136.595 -110.552 27.3735 -73.159 106.102 61.9691 -33.0234 84.887 128.837 PRESSAVG: 4506000 -14.497 -53.4673 26.5879 -53.4673 -45.6013 33.472 26.5879 33.4718 26.8446 GPRESSAVG: 4506000 -14.2804 -53.9674 26.0192 -53.9906 -45.5993 33.5165 26.1143 33.5128 26.4734 TIMING: 4506000 CPU: 13381.5, 0.00292262/step Wall: 13381.5, 0.00292262/step, 0.401048 hours remaining, 210.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4506000 706.4114 2079.4986 1959.3581 113.3151 -205935.5273 17769.3748 0.0000 0.0000 34453.2839 -148854.2855 300.8891 -183307.5694 -148750.3726 300.4969 -5.5958 32.7813 559026.0454 -11.0845 -11.1354 PRESSURE: 4506200 420.811 7.22224 97.7512 7.22194 184.12 83.5508 97.7507 83.5509 -7.91347 GPRESSURE: 4506200 432.162 -11.3173 85.0294 77.0136 181.517 23.886 34.9658 111.978 87.4482 PRESSAVG: 4506200 -9.55831 10.4746 41.7612 10.4745 23.2187 44.501 41.7612 44.5009 -8.40638 GPRESSAVG: 4506200 -9.3982 11.8445 42.6171 9.9183 21.5424 44.6519 40.4514 44.8535 -6.7261 TIMING: 4506200 CPU: 13382.1, 0.00291456/step Wall: 13382.1, 0.00291456/step, 0.39978 hours remaining, 210.671875 MB of memory in use. ENERGY: 4506200 739.0023 2081.8882 1942.1981 121.3584 -206324.5402 18114.6017 0.0000 0.0000 34301.0963 -149024.3952 299.5600 -183325.4915 -148920.7217 300.1951 199.0060 233.7091 556404.3211 1.7513 1.8060 PRESSURE: 4506400 91.7484 149.45 32.677 149.451 -175.334 -24.0691 32.6772 -24.0687 40.6418 GPRESSURE: 4506400 135.279 264.713 52.4511 74.2437 -127.313 -8.75168 2.87436 -58.1688 37.4587 PRESSAVG: 4506400 62.0517 6.08658 -12.1844 6.08662 -66.7618 -42.0182 -12.1844 -42.0183 -28.2358 GPRESSAVG: 4506400 61.8789 5.55213 -10.8891 4.24194 -65.9468 -42.289 -11.6155 -41.1125 -29.4255 TIMING: 4506400 CPU: 13382.7, 0.00291883/step Wall: 13382.7, 0.00291883/step, 0.400204 hours remaining, 210.671875 MB of memory in use. ENERGY: 4506400 720.9355 2077.0889 1934.4735 114.0713 -205985.0037 17813.0237 0.0000 0.0000 34381.1952 -148944.2156 300.2595 -183325.4108 -148846.4959 299.9768 -14.3147 15.1417 558457.8637 -10.9820 -11.1645 PRESSURE: 4506600 110.91 116.029 49.3277 116.03 292.767 171.906 49.3276 171.907 48.9575 GPRESSURE: 4506600 149.34 97.1573 28.2598 60.8188 317.142 172.522 24.8614 180.332 82.3598 PRESSAVG: 4506600 8.0807 57.7067 37.5887 57.7067 -62.0764 3.87356 37.5886 3.8736 -6.32238 GPRESSAVG: 4506600 9.38538 57.7667 37.5794 58.3408 -63.7116 2.76526 37.5502 2.33419 -5.79101 TIMING: 4506600 CPU: 13383.3, 0.00294476/step Wall: 13383.3, 0.00294476/step, 0.403595 hours remaining, 210.671875 MB of memory in use. ENERGY: 4506600 718.8134 2082.6946 1930.4151 105.8280 -206504.6620 18143.9214 0.0000 0.0000 34356.8514 -149166.1382 300.0469 -183522.9895 -149071.3838 299.8070 150.8783 182.9472 556850.3390 -20.1060 -20.0391 PRESSURE: 4506800 -56.6246 37.1829 -15.194 37.1822 195.414 68.2079 -15.1938 68.2083 34.0177 GPRESSURE: 4506800 -26.1474 -54.6954 20.5916 26.8104 177.036 34.4422 -107.458 50.8094 117.523 PRESSAVG: 4506800 3.77158 14.3284 15.6424 14.3285 -8.55996 36.9392 15.6425 36.9392 -7.73585 GPRESSAVG: 4506800 3.55479 11.9045 15.2557 13.5933 -8.68132 38.2533 15.9182 37.8605 -7.7145 TIMING: 4506800 CPU: 13383.9, 0.0029366/step Wall: 13383.9, 0.0029366/step, 0.402315 hours remaining, 210.671875 MB of memory in use. ENERGY: 4506800 754.3269 2109.9702 1938.9475 114.5901 -206509.6777 18078.8287 0.0000 0.0000 34143.5297 -149369.4845 298.1839 -183513.0143 -149278.3097 299.1352 57.6024 89.4703 557838.1293 -4.1747 -4.2803 PRESSURE: 4507000 60.5917 24.5546 -15.5442 24.5555 -10.9697 -29.9419 -15.5432 -29.9419 -60.0254 GPRESSURE: 4507000 58.4911 68.3979 -32.3355 -108.784 30.2549 -119.656 -62.6208 90.7771 -2.93456 PRESSAVG: 4507000 -16.1583 -7.74439 36.1772 -7.74434 2.31512 17.3743 36.1772 17.3744 81.0599 GPRESSAVG: 4507000 -17.9166 -6.78502 35.2262 -5.92716 3.34935 15.0407 36.5199 19.3485 81.4155 TIMING: 4507000 CPU: 13384.5, 0.00293542/step Wall: 13384.5, 0.00293542/step, 0.401989 hours remaining, 210.671875 MB of memory in use. ENERGY: 4507000 789.7851 2046.7543 1930.5198 109.4388 -206703.1717 17993.0424 0.0000 0.0000 34339.9092 -149493.7222 299.8990 -183833.6313 -149407.2717 298.6791 -3.4678 28.6038 558604.6183 22.4056 22.2828 PRESSURE: 4507200 -181.584 16.0979 5.07399 16.0951 -149.877 -26.8133 5.07354 -26.8125 -109.639 GPRESSURE: 4507200 -160.294 83.372 -22.1714 -62.392 -123.366 -95.3125 25.5624 0.256768 -66.4431 PRESSAVG: 4507200 -27.4546 -16.5626 18.6111 -16.5626 20.9808 12.6799 18.6111 12.6797 13.1158 GPRESSAVG: 4507200 -25.4011 -17.3933 19.2063 -14.4757 20.5757 13.2905 17.4222 11.8217 11.3308 TIMING: 4507200 CPU: 13385.1, 0.00293455/step Wall: 13385.1, 0.00293455/step, 0.401707 hours remaining, 210.671875 MB of memory in use. ENERGY: 4507200 758.2346 2095.3275 1948.3395 101.8767 -206418.7909 17672.5538 0.0000 0.0000 34432.3110 -149410.1479 300.7059 -183842.4589 -149314.8357 298.6978 -147.0332 -116.7010 557910.1932 2.2140 2.1685 PRESSURE: 4507400 -36.039 -76.1964 -109.066 -76.1968 -168.904 -20.6971 -109.066 -20.6987 25.3594 GPRESSURE: 4507400 -41.0352 -105.243 -99.6786 -50.1246 -136.052 -53.5314 -63.0726 -60.5956 93.2818 PRESSAVG: 4507400 24.471 -21.883 47.6876 -21.883 -35.3759 -2.18009 47.6876 -2.18013 3.08253 GPRESSAVG: 4507400 23.6957 -21.5275 46.4786 -22.6894 -35.5073 -2.85464 48.5998 -1.44308 3.51761 TIMING: 4507400 CPU: 13385.7, 0.00295702/step Wall: 13385.7, 0.00295702/step, 0.404619 hours remaining, 210.671875 MB of memory in use. ENERGY: 4507400 759.0265 2047.6431 1927.2686 114.5344 -206503.0976 17934.8069 0.0000 0.0000 34516.9838 -149202.8343 301.4454 -183719.8181 -149103.1581 298.6595 -59.8611 -27.9353 558415.9134 -2.6075 -2.7646 PRESSURE: 4507600 227.742 -83.4221 -89.6127 -83.4225 -299.383 126.05 -89.6141 126.049 -164.869 GPRESSURE: 4507600 247.026 -114.006 -76.3632 -66.6857 -273.377 151.919 -79.137 27.2857 -116.118 PRESSAVG: 4507600 30.923 74.6618 -26.3726 74.6616 0.180318 20.0542 -26.3726 20.0541 49.3321 GPRESSAVG: 4507600 30.4759 75.0195 -25.7129 74.604 -0.164554 22.5279 -24.7478 18.3404 50.3378 TIMING: 4507600 CPU: 13386.2, 0.00294069/step Wall: 13386.2, 0.00294069/step, 0.402221 hours remaining, 210.671875 MB of memory in use. ENERGY: 4507600 807.5585 2089.0143 1939.1406 118.3567 -206326.8434 17937.8106 0.0000 0.0000 34231.8117 -149203.1510 298.9549 -183434.9626 -149097.7051 299.4166 -78.8364 -47.4896 556390.6583 26.8118 26.8830 PRESSURE: 4507800 -33.8899 -15.9605 109.77 -15.9621 -388.687 -48.3741 109.771 -48.3729 -179.875 GPRESSURE: 4507800 18.3302 -65.0955 43.3101 -178.041 -337.897 -32.5474 161.773 -146.297 -183.003 PRESSAVG: 4507800 63.6968 16.554 42.9331 16.5541 -101.224 5.44782 42.9332 5.44783 -6.249 GPRESSAVG: 4507800 64.0425 19.3402 42.1135 12.5805 -100.738 4.23765 42.4738 6.92124 -6.76798 TIMING: 4507800 CPU: 13386.8, 0.00293858/step Wall: 13386.8, 0.00293858/step, 0.401769 hours remaining, 210.671875 MB of memory in use. ENERGY: 4507800 760.0560 2090.7621 1939.5885 113.1064 -205564.5101 17353.5654 0.0000 0.0000 34096.6844 -149210.7473 297.7748 -183307.4317 -149109.8195 299.3850 -200.8175 -167.5235 557656.4987 -14.5922 -14.4880 PRESSURE: 4508000 -8.35476 247.388 201.2 247.387 -85.3101 63.5635 201.2 63.5631 25.8787 GPRESSURE: 4508000 9.63501 361.063 33.8791 238.164 -59.0097 176.771 202.175 -12.0101 74.0712 PRESSAVG: 4508000 35.9574 -8.43177 31.3522 -8.43177 -45.4192 1.30504 31.3522 1.30504 29.0938 GPRESSAVG: 4508000 35.3992 -9.08119 31.9376 -6.64877 -46.2624 -0.52844 30.1939 4.30351 30.7513 TIMING: 4508000 CPU: 13387.4, 0.00290999/step Wall: 13387.4, 0.00290999/step, 0.397698 hours remaining, 210.671875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4508000 719.9413 2072.5375 1949.2712 118.7188 -205968.9677 17759.8369 0.0000 0.0000 34113.2791 -149235.3829 297.9198 -183348.6621 -149143.5730 298.6730 -22.5954 8.2322 557793.6633 6.5440 6.6294 PRESSURE: 4508200 89.8962 208.107 51.8839 208.107 97.2742 7.14928 51.8836 7.15099 373.055 GPRESSURE: 4508200 144.014 156.874 101.478 148.507 101.172 -62.978 -9.41526 -17.1945 408.927 PRESSAVG: 4508200 1.00988 43.5938 65.9262 43.5937 -34.7483 30.936 65.9262 30.9361 29.6147 GPRESSAVG: 4508200 3.21929 43.5501 67.446 44.2763 -35.8192 35.5032 64.0136 27.5788 27.9588 TIMING: 4508200 CPU: 13388, 0.00292633/step Wall: 13388, 0.00292633/step, 0.399769 hours remaining, 210.671875 MB of memory in use. ENERGY: 4508200 740.0343 2082.3805 1950.0758 121.4898 -205991.2686 17903.8372 0.0000 0.0000 34146.6616 -149046.7893 298.2113 -183193.4510 -148955.9858 299.2587 186.7418 218.0379 557693.0189 -1.3746 -1.5470 LDB: ============= START OF LOAD BALANCING ============== 13391.5 LDB: ============== END OF LOAD BALANCING =============== 13391.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13391.5 LDB: ============= START OF LOAD BALANCING ============== 13391.8 LDB: Largest compute 4772 load 0.022028 is 18.6% of average load 0.118235 LDB: Average compute 0.001742 is 1.5% of average load 0.118235 LDB: TIME 13391.8 LOAD: AVG 0.118235 MAX 0.198276 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.117 MB LDB: TIME 13391.8 LOAD: AVG 0.118235 MAX 0.198276 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.117 MB LDB: TIME 13391.8 LOAD: AVG 0.118235 MAX 0.198276 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.117 MB LDB: ============== END OF LOAD BALANCING =============== 13391.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13391.8 PRESSURE: 4508400 150.125 88.5237 -79.4202 88.5248 51.2291 -63.679 -79.4198 -63.6783 208.346 GPRESSURE: 4508400 192.55 59.5781 -59.3666 113.453 24.4438 10.128 -150.492 -67.3013 288.449 PRESSAVG: 4508400 21.7168 70.9652 -14.875 70.9651 -18.0323 -35.8364 -14.8749 -35.8364 8.34027 GPRESSAVG: 4508400 20.5141 69.7209 -16.2825 69.6918 -16.6049 -39.6895 -12.9352 -33.5716 8.31712 TIMING: 4508400 CPU: 13388.6, 0.00300975/step Wall: 13388.6, 0.00300975/step, 0.410999 hours remaining, 209.117188 MB of memory in use. ENERGY: 4508400 709.2334 2108.8718 1913.5347 122.1889 -206257.7681 17888.6597 0.0000 0.0000 34382.2551 -149133.0244 300.2688 -183515.2795 -149040.2552 299.7180 136.5666 168.4811 557516.8071 4.0083 4.0754 PRESSURE: 4508600 93.726 21.1731 -197.923 21.172 256.833 -49.0307 -197.923 -49.0291 39.9401 GPRESSURE: 4508600 161.582 14.1213 -182.095 35.1053 260.611 -57.2556 -181.397 -38.4263 69.7101 PRESSAVG: 4508600 -24.3633 46.9185 -38.4521 46.9185 6.76457 7.80241 -38.4522 7.80228 -10.0232 GPRESSAVG: 4508600 -23.2489 47.6117 -36.7176 47.2863 7.15922 9.93997 -40.3325 5.74667 -11.9203 TIMING: 4508600 CPU: 13389.2, 0.00294511/step Wall: 13389.2, 0.00294511/step, 0.402007 hours remaining, 209.117188 MB of memory in use. ENERGY: 4508600 743.1851 2144.0451 1949.6528 126.9277 -206516.0548 18229.1713 0.0000 0.0000 34106.0962 -149216.9767 297.8570 -183323.0728 -149122.1717 299.5057 130.1665 163.9674 557523.1434 -9.2073 -9.3367 PRESSURE: 4508800 112.827 75.4101 31.5008 75.412 -7.19732 146.795 31.5012 146.796 -115.087 GPRESSURE: 4508800 89.3707 163.239 60.0374 14.3095 98.1726 98.6429 36.5513 136.356 -101.995 PRESSAVG: 4508800 19.9788 -12.5485 6.54117 -12.5484 -16.2955 3.78802 6.54116 3.788 -37.3335 GPRESSAVG: 4508800 18.1875 -13.2195 4.61784 -11.539 -16.1259 2.35219 10.7043 5.9054 -36.0529 TIMING: 4508800 CPU: 13389.8, 0.00293676/step Wall: 13389.8, 0.00293676/step, 0.400704 hours remaining, 209.117188 MB of memory in use. ENERGY: 4508800 737.6491 2113.3656 1902.0872 114.9144 -206308.3217 17904.5951 0.0000 0.0000 34349.2345 -149186.4758 299.9804 -183535.7103 -149092.6892 299.6248 -3.1526 28.5161 557234.8678 -11.2167 -11.3304 PRESSURE: 4509000 46.8747 -89.2097 96.9177 -89.2095 -201.939 -34.3696 96.9172 -34.369 -69.9551 GPRESSURE: 4509000 76.2811 -168.532 129.613 -46.7658 -156.333 118.091 108.234 -69.5029 -51.3284 PRESSAVG: 4509000 62.9181 -15.517 53.2313 -15.5171 -64.5672 24.0557 53.2312 24.0556 25.6332 GPRESSAVG: 4509000 62.8683 -16.4237 54.7158 -15.1242 -64.6143 25.2039 50.031 21.8166 25.7796 TIMING: 4509000 CPU: 13390.4, 0.00292606/step Wall: 13390.4, 0.00292606/step, 0.399082 hours remaining, 209.117188 MB of memory in use. ENERGY: 4509000 731.8090 2120.2591 1944.7356 116.8523 -206159.6490 17655.1781 0.0000 0.0000 34475.9354 -149114.8794 301.0869 -183590.8149 -149010.1622 299.3112 -75.0063 -43.7934 557911.6013 7.9947 8.0112 PRESSURE: 4509200 -70.4176 -62.8041 105.923 -62.8045 -183.629 -102 105.924 -102 -216.139 GPRESSURE: 4509200 -106.116 -6.43801 166.697 -24.4341 -100.915 -97.395 -11.4285 -162.35 -172.625 PRESSAVG: 4509200 78.5177 5.95683 -5.0984 5.95681 -21.1923 -1.37708 -5.09847 -1.37716 -52.5676 GPRESSAVG: 4509200 78.3143 7.77113 -7.24552 3.97699 -21.8683 -3.56706 -4.40064 1.2478 -51.831 TIMING: 4509200 CPU: 13390.9, 0.00293601/step Wall: 13390.9, 0.00293601/step, 0.400276 hours remaining, 209.117188 MB of memory in use. ENERGY: 4509200 717.1010 2183.3598 1913.0019 122.9077 -206045.1083 17454.6586 0.0000 0.0000 34663.5284 -148990.5510 302.7252 -183654.0794 -148902.8551 300.7877 -156.7286 -126.5520 556210.3292 1.5859 1.5383 PRESSURE: 4509400 7.35873 105.968 -41.5188 105.967 -173.169 -102.598 -41.5197 -102.597 86.7446 GPRESSURE: 4509400 76.8423 135.991 -31.5739 28.6063 -169.729 -15.7084 -60.1948 -233.121 104.63 PRESSAVG: 4509400 46.1156 21.8268 -24.0374 21.8268 5.2237 14.4752 -24.0373 14.4752 -22.789 GPRESSAVG: 4509400 46.5176 22.463 -22.5489 21.8204 5.74534 17.5312 -24.0085 10.8972 -24.2207 TIMING: 4509400 CPU: 13391.5, 0.0029381/step Wall: 13391.5, 0.0029381/step, 0.400398 hours remaining, 209.117188 MB of memory in use. ENERGY: 4509400 760.5461 2103.0130 1943.7248 115.4810 -206323.8372 17856.5301 0.0000 0.0000 34450.6694 -149093.8728 300.8663 -183544.5422 -148999.8253 300.9436 -26.3551 3.9144 556644.8249 9.5168 9.3474 PRESSURE: 4509600 -79.435 -37.1318 17.2023 -37.1316 -103.102 -82.9194 17.2002 -82.9192 -116.669 GPRESSURE: 4509600 -108.096 -51.5989 -52.9382 -26.7777 -88.8321 -88.5692 39.0496 11.2324 -8.57596 PRESSAVG: 4509600 11.4781 15.6344 13.8802 15.6343 25.9074 30.4911 13.8801 30.4911 -70.5878 GPRESSAVG: 4509600 11.4034 13.6305 12.8828 16.9684 24.8368 27.4733 14.4223 32.517 -69.7417 TIMING: 4509600 CPU: 13392.1, 0.00292891/step Wall: 13392.1, 0.00292891/step, 0.398983 hours remaining, 209.117188 MB of memory in use. ENERGY: 4509600 753.0691 2077.4042 1922.8050 112.6304 -206058.8478 17664.9148 0.0000 0.0000 34268.2441 -149259.7803 299.2731 -183528.0244 -149163.3596 300.0620 -99.7353 -68.5013 557269.8926 -11.0674 -11.1672 PRESSURE: 4509800 349.081 29.2983 124.788 29.297 21.9329 -46.3114 124.788 -46.3116 -85.6649 GPRESSURE: 4509800 378.356 67.0489 64.1511 12.7106 41.9257 -31.2834 158.057 -84.1339 -40.4118 PRESSAVG: 4509800 20.1139 30.0734 24.2839 30.0734 5.53181 45.2316 24.2841 45.2315 -8.3291 GPRESSAVG: 4509800 19.7424 31.1618 24.6686 28.9552 6.32932 47.8885 24.194 44.4438 -8.32465 TIMING: 4509800 CPU: 13392.7, 0.00291171/step Wall: 13392.7, 0.00291171/step, 0.396477 hours remaining, 209.117188 MB of memory in use. ENERGY: 4509800 727.1115 2099.1006 1932.6720 116.8956 -206451.1571 17921.1013 0.0000 0.0000 34312.5941 -149341.6819 299.6604 -183654.2760 -149256.2863 299.1576 95.1164 126.6234 556410.9271 5.7722 5.9157 PRESSURE: 4510000 -104.158 -156.917 -83.2117 -156.916 -204.821 61.859 -83.2113 61.8608 -273.547 GPRESSURE: 4510000 -69.783 -80.045 -46.8329 -220.417 -174.624 55.5699 -46.8603 94.9404 -244.799 PRESSAVG: 4510000 40.8982 -20.6563 -15.137 -20.6562 -66.1318 -34.1834 -15.137 -34.1834 -35.6347 GPRESSAVG: 4510000 41.1747 -19.6013 -14.4047 -22.0879 -66.9356 -33.0922 -14.7405 -35.1631 -35.5388 TIMING: 4510000 CPU: 13393.3, 0.00291307/step Wall: 13393.3, 0.00291307/step, 0.396501 hours remaining, 209.117188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4510000 775.6115 2119.0689 1911.6738 112.2461 -206059.0888 17530.9954 0.0000 0.0000 34316.4775 -149293.0155 299.6943 -183609.4931 -149202.2838 298.2158 -194.1751 -163.0685 557188.1791 -20.2894 -20.4332 PRESSURE: 4510200 -166.283 -31.9745 -158.153 -31.9741 92.959 -148.661 -158.153 -148.659 -30.4524 GPRESSURE: 4510200 -102.13 4.27166 -6.70883 -68.4773 146.885 -109.86 -356.078 -187.923 -42.8764 PRESSAVG: 4510200 26.482 3.15317 -36.2055 3.15314 -45.4051 -22.9972 -36.2056 -22.9972 12.5397 GPRESSAVG: 4510200 25.9851 1.67189 -37.1496 4.26819 -44.9926 -25.4508 -38.0443 -20.6415 12.2769 TIMING: 4510200 CPU: 13393.9, 0.00293182/step Wall: 13393.9, 0.00293182/step, 0.39889 hours remaining, 209.117188 MB of memory in use. ENERGY: 4510200 742.9893 2120.8509 1938.7534 116.4404 -205979.5541 17639.5460 0.0000 0.0000 34325.3830 -149095.5911 299.7721 -183420.9741 -148999.3461 299.6898 -34.5922 0.6263 556799.1784 -2.1278 -2.2435 PRESSURE: 4510400 166.198 203.454 138.293 203.454 -85.6869 104.738 138.293 104.737 17.9351 GPRESSURE: 4510400 176.937 118.345 72.9337 225.469 -28.5472 102.114 85.1648 110.743 41.5963 PRESSAVG: 4510400 -55.1698 46.2959 19.1608 46.2959 -15.1257 -9.98766 19.1609 -9.98766 32.4156 GPRESSAVG: 4510400 -54.4835 47.0222 17.3156 45.6477 -15.7187 -11.2215 19.6567 -10.1274 32.3724 TIMING: 4510400 CPU: 13394.5, 0.00292381/step Wall: 13394.5, 0.00292381/step, 0.397639 hours remaining, 209.375000 MB of memory in use. ENERGY: 4510400 758.1486 2061.6551 1943.1740 102.5125 -206259.9525 17917.2004 0.0000 0.0000 34281.7895 -149195.4724 299.3914 -183477.2619 -149096.6599 300.1533 32.8153 63.3286 556056.2952 -12.6266 -12.6099 PRESSURE: 4510600 14.6697 141.415 -1.31521 141.414 -93.3334 168.659 -1.31642 168.658 142.99 GPRESSURE: 4510600 81.3174 190.217 -118.715 58.8317 -67.7515 156.711 82.2684 106.581 150.604 PRESSAVG: 4510600 -36.4755 11.8562 19.8675 11.8563 15.3463 -6.02854 19.8674 -6.02873 2.14217 GPRESSAVG: 4510600 -35.6584 10.5429 20.9251 14.0061 15.1832 -5.42691 21.0724 -5.58843 2.16492 TIMING: 4510600 CPU: 13395, 0.00292251/step Wall: 13395, 0.00292251/step, 0.397299 hours remaining, 209.375000 MB of memory in use. ENERGY: 4510600 741.0980 2127.4294 1939.6519 114.3919 -206057.3513 17855.0104 0.0000 0.0000 34138.3206 -149141.4491 298.1384 -183279.7697 -149039.7054 299.9686 21.4422 54.7233 556394.1427 -6.3290 -6.1034 PRESSURE: 4510800 46.9284 -144.083 27.5258 -144.083 84.1364 -125.283 27.527 -125.282 -180.585 GPRESSURE: 4510800 54.3052 -159.911 -36.9241 -89.518 112.258 -86.1 -50.0127 -102.849 -133.706 PRESSAVG: 4510800 -46.6455 5.24412 13.6386 5.24414 9.78557 -3.22287 13.6386 -3.22292 36.7083 GPRESSAVG: 4510800 -47.926 5.80424 13.7089 6.79824 9.56638 -3.09141 13.6476 -2.93979 37.2248 TIMING: 4510800 CPU: 13395.6, 0.00293565/step Wall: 13395.6, 0.00293565/step, 0.398923 hours remaining, 209.375000 MB of memory in use. ENERGY: 4510800 788.1231 2113.2370 1947.2936 102.2995 -206194.1298 17850.3932 0.0000 0.0000 34316.9015 -149075.8818 299.6980 -183392.7834 -148978.4850 299.8845 -16.5068 10.9524 556324.5095 -0.0506 -0.3783 PRESSURE: 4511000 -340.087 139.613 37.5009 139.613 -368.564 110.932 37.5009 110.933 -61.5981 GPRESSURE: 4511000 -329.207 119.155 -23.7433 119.444 -311.133 134.968 66.7275 119.961 -21.8125 PRESSAVG: 4511000 34.4927 -10.0792 18.3069 -10.0791 -4.28476 -6.96749 18.3068 -6.96747 5.92166 GPRESSAVG: 4511000 36.266 -9.57621 18.1275 -11.1179 -4.13897 -7.1123 17.9554 -8.05328 4.58718 TIMING: 4511000 CPU: 13396.2, 0.00291612/step Wall: 13396.2, 0.00291612/step, 0.396106 hours remaining, 209.375000 MB of memory in use. ENERGY: 4511000 745.5985 2158.2141 1954.1360 124.2255 -205902.3996 17454.3674 0.0000 0.0000 34458.7917 -149007.0664 300.9372 -183465.8581 -148922.1693 300.0593 -256.7495 -220.7175 556257.6509 12.0432 12.2381 PRESSURE: 4511200 260.036 -44.2377 -45.9946 -44.2389 324.738 96.9882 -45.9943 96.9883 523.919 GPRESSURE: 4511200 279.788 76.0149 -106.371 -108.2 338.558 40.6881 40.6629 117.242 583.735 PRESSAVG: 4511200 -48.4869 3.45596 25.5921 3.45598 82.2488 32.9538 25.5922 32.9539 -26.3567 GPRESSAVG: 4511200 -48.6508 3.64976 26.2825 1.86406 81.2238 32.4803 27.246 35.2452 -25.134 TIMING: 4511200 CPU: 13396.8, 0.00291211/step Wall: 13396.8, 0.00291211/step, 0.3954 hours remaining, 209.375000 MB of memory in use. ENERGY: 4511200 739.4535 2105.1760 1946.9340 102.8022 -207013.8097 18478.2693 0.0000 0.0000 34402.2683 -149238.9062 300.4436 -183641.1746 -149145.7500 300.4962 369.5645 400.6937 556698.6515 2.4684 2.4797 PRESSURE: 4511400 -50.2294 32.7532 44.47 32.7532 184.435 -123.162 44.47 -123.163 -88.8543 GPRESSURE: 4511400 25.274 77.3733 10.0438 76.6343 210.176 -9.49299 79.4108 -176.977 -105.587 PRESSAVG: 4511400 -28.825 32.6857 2.04996 32.6857 -25.5929 39.0824 2.04991 39.0825 -1.93201 GPRESSAVG: 4511400 -31.4801 31.5258 2.32848 33.3408 -25.059 40.6025 0.117737 37.1672 -0.400006 TIMING: 4511400 CPU: 13397.4, 0.00291458/step Wall: 13397.4, 0.00291458/step, 0.395573 hours remaining, 209.375000 MB of memory in use. ENERGY: 4511400 775.1553 2045.0495 1953.7223 118.8994 -206253.4344 17828.8033 0.0000 0.0000 34317.2326 -149214.5721 299.7009 -183531.8047 -149118.2016 299.8452 15.1172 43.2877 557274.4846 -18.7833 -18.9797 PRESSURE: 4511600 -144.939 -23.6387 22.8651 -23.6394 -82.9012 -87.5925 22.8654 -87.5927 23.5663 GPRESSURE: 4511600 -128.495 36.4089 -91.807 0.207251 -32.0709 -94.3753 30.1073 -83.1554 62.1616 PRESSAVG: 4511600 -69.9228 -6.13757 17.2152 -6.13758 50.0912 13.2335 17.2152 13.2335 13.6632 GPRESSAVG: 4511600 -69.2958 -6.48049 15.5454 -5.11751 50.745 11.736 17.0661 14.4555 12.2275 TIMING: 4511600 CPU: 13398, 0.00291974/step Wall: 13398, 0.00291974/step, 0.396111 hours remaining, 209.375000 MB of memory in use. ENERGY: 4511600 752.0386 2094.0336 1924.7440 109.2171 -206183.8357 17603.4231 0.0000 0.0000 34356.8973 -149343.4819 300.0473 -183700.3792 -149246.5018 299.2777 -68.0914 -32.8014 555736.1891 -2.0561 -2.1078 PRESSURE: 4511800 133.421 -232.469 -16.541 -232.469 -4.88148 94.3912 -16.5404 94.392 -4.79836 GPRESSURE: 4511800 138.159 -200.956 59.5631 -256.318 31.0012 -28.931 -65.749 173.389 49.4771 PRESSAVG: 4511800 -26.7689 -3.36093 -4.64869 -3.36094 36.3303 13.7028 -4.64873 13.7029 47.4052 GPRESSAVG: 4511800 -25.6871 -2.63026 -4.23858 -3.85324 35.4662 13.3834 -6.29639 14.0906 47.8606 TIMING: 4511800 CPU: 13398.5, 0.00294234/step Wall: 13398.5, 0.00294234/step, 0.399014 hours remaining, 209.375000 MB of memory in use. ENERGY: 4511800 724.4547 2070.9379 1939.5407 106.7740 -206362.8379 17737.8643 0.0000 0.0000 34335.2255 -149448.0410 299.8581 -183783.2665 -149348.8346 299.0425 41.2471 72.8792 554446.9598 18.9888 19.2132 PRESSURE: 4512000 -259.214 -97.621 -88.8429 -97.6207 28.9408 -144.195 -88.8433 -144.195 -40.7157 GPRESSURE: 4512000 -182.824 -49.6248 -81.8699 -124.548 33.8034 -170.66 -85.2561 -85.8184 -11.9517 PRESSAVG: 4512000 2.99607 -31.2625 20.6743 -31.2624 37.9672 -77.9828 20.6744 -77.9828 -12.1831 GPRESSAVG: 4512000 2.79903 -30.8229 19.0712 -32.7612 38.2297 -77.4254 23.8678 -75.7033 -11.4169 TIMING: 4512000 CPU: 13399.1, 0.00292457/step Wall: 13399.1, 0.00292458/step, 0.396442 hours remaining, 209.375000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4512000 749.4568 2065.5120 1942.2905 110.0733 -206166.9420 17729.9682 0.0000 0.0000 34106.7679 -149462.8734 297.8629 -183569.6412 -149354.1694 298.1301 -90.3295 -53.6576 555794.7711 9.5934 9.8706 PRESSURE: 4512200 68.8839 39.4687 16.346 39.4684 79.0704 47.3952 16.3463 47.3943 309.617 GPRESSURE: 4512200 92.1385 59.5324 42.5342 76.6042 112.871 74.1364 11.8273 94.5851 336.757 PRESSAVG: 4512200 1.80674 -8.12621 -23.6462 -8.12612 7.36802 29.369 -23.6462 29.369 35.6637 GPRESSAVG: 4512200 2.98055 -8.86852 -20.5923 -5.52998 7.18109 28.3357 -26.6957 26.802 34.3446 TIMING: 4512200 CPU: 13399.7, 0.0029383/step Wall: 13399.7, 0.0029383/step, 0.39814 hours remaining, 209.375000 MB of memory in use. ENERGY: 4512200 695.7084 2140.2553 1929.9712 116.2038 -206386.5152 17897.8000 0.0000 0.0000 34298.3714 -149308.2051 299.5362 -183606.5765 -149211.5332 299.1860 152.5238 180.5890 555388.7450 14.9462 14.8354 LDB: ============= START OF LOAD BALANCING ============== 13403.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13403.3 LDB: =============== DONE WITH MIGRATION ================ 13403.3 LDB: ============= START OF LOAD BALANCING ============== 13403.6 LDB: Largest compute 4801 load 0.021024 is 17.8% of average load 0.118299 LDB: Average compute 0.001735 is 1.5% of average load 0.118299 LDB: TIME 13403.6 LOAD: AVG 0.118299 MAX 0.197197 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.949 MB LDB: TIME 13403.6 LOAD: AVG 0.118299 MAX 0.197197 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.949 MB LDB: TIME 13403.6 LOAD: AVG 0.118299 MAX 0.197197 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13403.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13403.6 PRESSURE: 4512400 369.71 8.93225 -111.32 8.93225 101.67 -32.9842 -111.321 -32.9846 97.0856 GPRESSURE: 4512400 397.5 73.5267 -119.856 -60.9922 140.238 -41.5419 -125.266 -34.5902 144.919 PRESSAVG: 4512400 14.2179 -17.8007 -6.16193 -17.8007 7.22242 7.83376 -6.16204 7.83379 -41.7968 GPRESSAVG: 4512400 13.473 -17.7457 -6.58156 -17.7334 6.67832 8.55521 -5.41575 9.61323 -39.9901 TIMING: 4512400 CPU: 13400.3, 0.00301064/step Wall: 13400.3, 0.00301064/step, 0.407775 hours remaining, 210.394531 MB of memory in use. ENERGY: 4512400 696.4260 2123.9738 1924.4119 127.5517 -206305.0168 17957.6197 0.0000 0.0000 34185.6925 -149289.3411 298.5522 -183475.0336 -149194.8158 299.6267 189.4888 227.5523 556551.7319 -6.7855 -6.6129 PRESSURE: 4512600 -174.108 -64.8679 -41.9655 -64.8674 -96.3759 89.9011 -41.9657 89.9005 46.6986 GPRESSURE: 4512600 -134.395 -90.3507 -19.3636 -28.7852 -41.3845 105.079 -111.404 109.843 52.1937 PRESSAVG: 4512600 -57.212 9.65477 8.41435 9.65474 10.7806 50.3899 8.41434 50.3898 37.0894 GPRESSAVG: 4512600 -54.6799 9.10547 8.35438 10.4267 10.3962 50.8017 9.12549 50.1744 35.1485 TIMING: 4512600 CPU: 13400.9, 0.00291175/step Wall: 13400.9, 0.00291175/step, 0.394219 hours remaining, 210.718750 MB of memory in use. ENERGY: 4512600 711.7280 2102.4763 1930.9587 105.6885 -205988.9674 17634.3044 0.0000 0.0000 34227.1662 -149276.6454 298.9144 -183503.8116 -149174.0573 299.6381 -74.5952 -41.1953 557550.0567 -3.1140 -3.0450 PRESSURE: 4512800 -161.194 68.7051 109.977 68.7047 -200.241 125.397 109.978 125.399 -147.955 GPRESSURE: 4512800 -134.688 110.634 127.542 67.4339 -184.371 86.504 58.4116 164.007 -86.9543 PRESSAVG: 4512800 -74.476 6.84341 59.6793 6.84347 49.6937 79.2822 59.6794 79.2823 5.40571 GPRESSAVG: 4512800 -76.1352 8.32968 58.1279 4.94876 49.988 78.4968 60.0975 78.3963 6.70238 TIMING: 4512800 CPU: 13401.5, 0.00294231/step Wall: 13401.5, 0.00294231/step, 0.398192 hours remaining, 210.718750 MB of memory in use. ENERGY: 4512800 743.8573 2106.3998 1927.3750 109.4708 -206279.5806 17731.1235 0.0000 0.0000 34341.7736 -149319.5806 299.9153 -183661.3542 -149218.1449 298.9715 -169.7965 -135.3377 557188.7673 -6.4588 -6.4816 PRESSURE: 4513000 -149.952 -27.4084 -73.0112 -27.4091 -62.0031 39.786 -73.0101 39.7866 -56.0809 GPRESSURE: 4513000 -178.143 -163.609 -47.7597 -30.28 26.9282 9.29642 -13.6819 -24.4864 -24.7136 PRESSAVG: 4513000 16.6041 -12.0069 11.1323 -12.007 -12.8604 17.9813 11.1322 17.9813 -4.17927 GPRESSAVG: 4513000 16.2175 -13.3368 12.9774 -12.1529 -12.3906 20.0737 11.2724 17.8832 -3.98193 TIMING: 4513000 CPU: 13402.1, 0.00293169/step Wall: 13402.1, 0.00293169/step, 0.396592 hours remaining, 210.718750 MB of memory in use. ENERGY: 4513000 724.0800 2136.4297 1937.6427 112.5262 -206224.6354 17556.5762 0.0000 0.0000 34443.6256 -149313.7551 300.8047 -183757.3807 -149215.9532 298.9004 -89.3454 -58.6426 556485.5881 -0.1452 -0.0517 PRESSURE: 4513200 -198.264 78.7205 -134.388 78.7222 53.0069 38.884 -134.388 38.8852 21.2131 GPRESSURE: 4513200 -147.092 90.2932 -148.943 94.3655 55.3306 108.064 -114.03 -35.3699 66.3529 PRESSAVG: 4513200 49.9885 41.295 9.2229 41.2949 2.30177 5.21194 9.22282 5.21183 -38.2719 GPRESSAVG: 4513200 49.1975 42.3161 8.75973 41.5912 2.74486 4.63352 7.28736 6.26233 -38.1264 TIMING: 4513200 CPU: 13402.7, 0.00293408/step Wall: 13402.7, 0.00293408/step, 0.396753 hours remaining, 210.718750 MB of memory in use. ENERGY: 4513200 760.9940 2083.4514 1944.1138 113.7382 -206389.8096 17776.1562 0.0000 0.0000 34296.4569 -149414.8992 299.5195 -183711.3561 -149318.4353 299.8974 -41.3480 -8.4694 555461.6144 4.6728 4.6053 PRESSURE: 4513400 210.764 -80.4539 141.508 -80.4532 -1.49131 43.6288 141.508 43.6267 135.553 GPRESSURE: 4513400 243.384 -55.4556 229.859 -104.923 41.4936 -11.5118 128.358 67.0525 154.279 PRESSAVG: 4513400 -17.7837 0.102181 -9.11221 0.102118 11.8077 44.2274 -9.11216 44.2275 16.7821 GPRESSAVG: 4513400 -16.1368 -0.806743 -8.47616 0.188037 10.7335 44.5853 -7.43952 44.3757 16.3662 TIMING: 4513400 CPU: 13403.3, 0.00294216/step Wall: 13403.3, 0.00294216/step, 0.397682 hours remaining, 210.718750 MB of memory in use. ENERGY: 4513400 771.2620 2056.9372 1965.3766 105.1320 -206501.0833 18030.2514 0.0000 0.0000 34367.4437 -149204.6804 300.1394 -183572.1241 -149105.5533 299.7154 114.9421 146.3855 556331.7233 3.6020 3.6543 PRESSURE: 4513600 173.562 44.0966 16.2655 44.0973 -110.194 -71.5277 16.265 -71.5301 -133.104 GPRESSURE: 4513600 216.017 77.5809 36.9248 3.22167 -41.931 -163.783 17.6675 -64.807 -129.451 PRESSAVG: 4513600 10.4721 29.6805 16.77 29.6805 -30.8869 30.7674 16.77 30.7674 64.3525 GPRESSAVG: 4513600 9.31052 29.2204 15.7578 30.7755 -29.8306 28.4967 19.2153 29.371 64.5795 TIMING: 4513600 CPU: 13403.8, 0.00296931/step Wall: 13403.8, 0.00296931/step, 0.401187 hours remaining, 210.718750 MB of memory in use. ENERGY: 4513600 749.4693 2145.8238 1922.9539 116.5961 -206189.3623 17708.2344 0.0000 0.0000 34227.6936 -149318.5912 298.9190 -183546.2847 -149219.3324 299.5734 -23.2452 14.8783 556597.7966 14.6459 14.6865 PRESSURE: 4513800 43.0107 47.9762 19.9926 47.9761 -56.9695 -71.2677 19.9918 -71.2668 -31.3916 GPRESSURE: 4513800 36.7817 23.42 56.9583 26.5065 7.39805 -124.446 19.9316 -50.7449 -9.73119 PRESSAVG: 4513800 4.57751 23.7318 61.1319 23.7318 -37.6886 0.849092 61.1318 0.849207 22.7924 GPRESSAVG: 4513800 4.18458 24.9965 61.4705 22.6504 -37.6747 2.75483 57.3188 0.0718539 23.3816 TIMING: 4513800 CPU: 13404.4, 0.00298242/step Wall: 13404.4, 0.00298242/step, 0.402792 hours remaining, 210.718750 MB of memory in use. ENERGY: 4513800 765.5786 2091.3062 1947.1499 117.6117 -206229.7758 17636.1905 0.0000 0.0000 34384.8748 -149287.0641 300.2917 -183671.9390 -149188.7012 299.7025 -15.1168 11.4828 556155.7942 -3.4396 -3.3695 PRESSURE: 4514000 -162.015 98.2428 -83.5707 98.2417 108.648 35.1969 -83.5717 35.1986 -100.12 GPRESSURE: 4514000 -137.441 38.1601 -58.8844 54.6057 125.746 75.085 -103.239 116.819 -42.0848 PRESSAVG: 4514000 55.2174 1.2445 6.53562 1.24456 13.6253 -21.8426 6.53565 -21.8426 -31.2257 GPRESSAVG: 4514000 55.6827 2.35501 5.82338 0.381775 13.4753 -21.9216 8.97235 -20.1352 -31.4525 TIMING: 4514000 CPU: 13405, 0.00297148/step Wall: 13405, 0.00297148/step, 0.401149 hours remaining, 210.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4514000 758.2929 2072.9550 1927.2223 128.8613 -206355.0928 17821.1533 0.0000 0.0000 34303.2354 -149343.3726 299.5787 -183646.6080 -149247.2420 299.0666 -51.1623 -17.9266 556910.3527 12.5390 12.5685 PRESSURE: 4514200 -39.4123 186.215 -2.06222 186.213 21.0006 -100.724 -2.06293 -100.724 60.4042 GPRESSURE: 4514200 18.1291 214.277 -9.61324 150.423 35.8473 -48.4767 -123.091 -137.05 95.7228 PRESSAVG: 4514200 -19.2532 -11.0993 8.88853 -11.0993 18.3246 15.3544 8.8886 15.3543 23.4258 GPRESSAVG: 4514200 -19.3906 -12.9207 11.0325 -8.93498 18.0593 17.6929 6.03488 14.4328 23.9355 TIMING: 4514200 CPU: 13405.6, 0.00297852/step Wall: 13405.6, 0.00297852/step, 0.401934 hours remaining, 210.718750 MB of memory in use. ENERGY: 4514200 776.2637 2142.6988 1917.4863 110.8371 -206086.6961 17711.1345 0.0000 0.0000 34273.0538 -149155.2219 299.3151 -183428.2757 -149063.6063 299.3351 13.9975 49.8997 557468.8881 7.4991 7.5347 PRESSURE: 4514400 -240.206 32.5846 33.4136 32.5843 -310.625 -26.5483 33.4138 -26.5501 -268.906 GPRESSURE: 4514400 -221.612 49.5385 -42.334 -8.74528 -269.894 -98.8274 69.7362 -8.92833 -245.482 PRESSAVG: 4514400 -16.8155 34.9287 29.3434 34.9286 -38.9942 -23.1037 29.3434 -23.1037 49.9461 GPRESSAVG: 4514400 -15.537 35.3255 26.8629 34.8922 -39.9058 -25.3465 30.5181 -21.4619 49.4611 TIMING: 4514400 CPU: 13406.2, 0.00296685/step Wall: 13406.2, 0.00296685/step, 0.400195 hours remaining, 210.718750 MB of memory in use. ENERGY: 4514400 758.2219 2132.3164 1934.8828 101.3762 -205661.7714 17358.7915 0.0000 0.0000 34163.8846 -149212.2979 298.3617 -183376.1826 -149107.3950 299.2557 -273.2455 -245.6624 559424.1849 -1.9545 -1.9939 PRESSURE: 4514600 111.045 27.1309 -19.0728 27.1306 -324.216 -199.356 -19.0729 -199.355 -245.582 GPRESSURE: 4514600 131.876 -15.9399 19.8468 111.968 -284.757 -261.124 77.4205 -135.288 -209.338 PRESSAVG: 4514600 -11.841 8.3346 3.35009 8.33462 -49.3713 -29.3689 3.35017 -29.3688 70.088 GPRESSAVG: 4514600 -12.6861 6.6309 4.53032 9.03984 -48.3294 -30.7292 2.41451 -30.4184 69.303 TIMING: 4514600 CPU: 13406.8, 0.00293984/step Wall: 13406.8, 0.00293984/step, 0.396389 hours remaining, 210.718750 MB of memory in use. ENERGY: 4514600 781.8095 2104.9165 1953.8685 100.2613 -206107.5484 17683.0181 0.0000 0.0000 34376.8105 -149106.8640 300.2212 -183483.6745 -149003.1095 299.0471 -152.9177 -120.7395 557626.3483 2.9586 2.7625 PRESSURE: 4514800 16.9847 -36.4129 91.6631 -36.4128 119.17 -54.9658 91.6635 -54.9661 28.945 GPRESSURE: 4514800 75.4273 -130.984 178.757 33.7792 84.9643 -86.8367 61.1983 -34.3473 87.1952 PRESSAVG: 4514800 38.5795 -28.6666 41.3384 -28.6666 -41.0868 -28.4339 41.3384 -28.4339 14.7263 GPRESSAVG: 4514800 40.4788 -27.0557 42.0764 -31.5452 -43.2069 -26.7219 41.4178 -26.7807 14.9613 TIMING: 4514800 CPU: 13407.4, 0.00293275/step Wall: 13407.4, 0.00293275/step, 0.395269 hours remaining, 210.718750 MB of memory in use. ENERGY: 4514800 704.2006 2084.0063 1956.9504 124.3045 -206170.1751 17925.6509 0.0000 0.0000 34284.1876 -149090.8748 299.4123 -183375.0623 -148988.7721 299.2034 55.0333 82.5289 559952.1842 4.0730 4.0777 PRESSURE: 4515000 -242.236 -4.96768 137.365 -4.96811 -54.2124 -28.349 137.365 -28.3501 -50.9028 GPRESSURE: 4515000 -165.913 70.3785 56.3119 -21.3875 -4.17383 9.05657 185.284 -102.774 -74.7265 PRESSAVG: 4515000 -17.7948 22.8706 58.2431 22.8706 11.9979 -42.3871 58.2431 -42.3871 2.77002 GPRESSAVG: 4515000 -19.0185 23.1014 58.4433 24.2877 11.8683 -41.5383 58.218 -44.2231 3.70611 TIMING: 4515000 CPU: 13408, 0.00294453/step Wall: 13408, 0.00294453/step, 0.396694 hours remaining, 210.718750 MB of memory in use. ENERGY: 4515000 756.3125 2106.1265 1945.6032 118.1299 -206070.8301 17729.2024 0.0000 0.0000 34432.2077 -148983.2480 300.7050 -183415.4557 -148883.4057 299.5861 -115.7837 -81.6043 557636.8289 -1.0090 -1.1480 PRESSURE: 4515200 6.64971 1.27817 74.6372 1.27741 44.3325 119.492 74.6373 119.492 81.3083 GPRESSURE: 4515200 23.8345 16.7881 164.775 120.149 91.5461 107.44 9.88476 57.1396 122.086 PRESSAVG: 4515200 -44.7118 -16.8347 33.5822 -16.8347 4.58874 -4.64004 33.5822 -4.64012 -5.3364 GPRESSAVG: 4515200 -44.5241 -15.0419 33.4808 -17.4479 4.85359 -5.4925 34.2943 -5.05211 -5.99847 TIMING: 4515200 CPU: 13408.6, 0.00292711/step Wall: 13408.6, 0.00292711/step, 0.394184 hours remaining, 210.718750 MB of memory in use. ENERGY: 4515200 761.8087 2105.5981 1936.7788 114.5242 -205905.3119 17774.6209 0.0000 0.0000 34488.6082 -148723.3730 301.1976 -183211.9812 -148633.4384 300.7269 44.0968 79.1555 556499.2695 -15.1532 -15.2230 PRESSURE: 4515400 -60.6577 107.221 -110.262 107.222 97.6816 8.51013 -110.262 8.51131 4.526 GPRESSURE: 4515400 -50.213 168.524 -126.934 27.1518 147.13 14.3321 -106.56 84.0052 34.9284 PRESSAVG: 4515400 -15.5803 1.22177 20.722 1.22172 44.162 59.1615 20.7219 59.1615 9.10333 GPRESSAVG: 4515400 -14.7727 -1.27177 20.0876 3.76153 43.392 56.2217 20.4991 61.3638 9.23381 TIMING: 4515400 CPU: 13409.2, 0.00291972/step Wall: 13409.2, 0.00291972/step, 0.393026 hours remaining, 210.718750 MB of memory in use. ENERGY: 4515400 693.1860 2175.1558 1930.2553 121.0700 -205874.6544 17659.8409 0.0000 0.0000 34416.1689 -148878.9774 300.5650 -183295.1463 -148784.3004 300.3730 13.8500 43.9484 557197.3478 12.5617 12.6177 PRESSURE: 4515600 210.15 -80.3261 -10.1789 -80.327 284.299 47.4251 -10.1789 47.4252 34.6935 GPRESSURE: 4515600 223.681 -139.117 -42.9257 -41.1358 296.672 81.7153 -40.5079 73.6729 93.919 PRESSAVG: 4515600 17.4409 -19.0511 43.946 -19.0511 4.15144 38.4335 43.946 38.4336 -41.9932 GPRESSAVG: 4515600 16.1737 -18.0588 43.05 -21.0753 4.47222 42.0062 44.2341 37.5061 -41.2014 TIMING: 4515600 CPU: 13409.7, 0.00291843/step Wall: 13409.7, 0.00291843/step, 0.392691 hours remaining, 210.718750 MB of memory in use. ENERGY: 4515600 728.0787 2145.3737 1940.4761 116.1644 -205845.5921 17781.1290 0.0000 0.0000 34370.7885 -148763.5818 300.1686 -183134.3703 -148670.6445 301.0618 176.3809 204.7573 556204.6870 -6.8003 -6.8518 PRESSURE: 4515800 -123.205 -102.241 71.8403 -102.241 -21.0335 63.4951 71.8401 63.495 -453.948 GPRESSURE: 4515800 -114.277 -192.237 -19.9562 -66.7976 -1.6456 143.313 126.418 64.2462 -380.394 PRESSAVG: 4515800 -44.5259 -9.85853 -66.3725 -9.85849 39.6546 62.9239 -66.3725 62.9239 -21.3092 GPRESSAVG: 4515800 -44.4442 -9.53428 -65.7052 -10.4409 40.0856 59.6084 -67.2018 64.5957 -21.8986 TIMING: 4515800 CPU: 13410.3, 0.00293381/step Wall: 13410.3, 0.00293381/step, 0.394597 hours remaining, 210.718750 MB of memory in use. ENERGY: 4515800 786.3356 2133.3527 1927.4837 106.2063 -205458.0598 17378.4501 0.0000 0.0000 34310.5760 -148815.6555 299.6428 -183126.2315 -148725.5686 300.5899 -199.3954 -165.4387 557176.2854 -8.7269 -8.7524 PRESSURE: 4516000 -332.726 15.3188 -68.3117 15.3191 -91.0061 -71.8387 -68.3119 -71.839 -81.1399 GPRESSURE: 4516000 -280.835 -12.8186 -70.9258 5.14286 -62.7721 -70.8008 -129.97 -87.009 -74.7963 PRESSAVG: 4516000 -22.6371 -32.7932 -63.2111 -32.7931 74.9598 33.8345 -63.211 33.8345 -47.4441 GPRESSAVG: 4516000 -21.6575 -34.7041 -63.6648 -32.3194 74.7002 35.7567 -64.2787 33.1364 -48.0926 TIMING: 4516000 CPU: 13410.9, 0.00291993/step Wall: 13410.9, 0.00291993/step, 0.392568 hours remaining, 210.718750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4516000 744.9124 2074.0796 1911.9300 112.3354 -205815.9323 17678.3516 0.0000 0.0000 34349.1909 -148945.1323 299.9800 -183294.3233 -148838.2259 300.7549 -168.2908 -139.4677 558482.2449 1.6262 1.6500 PRESSURE: 4516200 -179.96 -117.384 62.2681 -117.385 -81.6431 25.378 62.2686 25.3791 -162.267 GPRESSURE: 4516200 -112.895 -84.0161 138.045 -189.598 -75.2076 -8.10544 47.8802 32.3255 -128.195 PRESSAVG: 4516200 -25.4683 -41.3717 -24.6362 -41.3717 45.8718 -8.32939 -24.6362 -8.32941 34.2063 GPRESSAVG: 4516200 -25.1403 -40.2894 -26.6377 -39.3572 45.9728 -10.4287 -24.2738 -10.3478 33.8343 TIMING: 4516200 CPU: 13411.5, 0.00291562/step Wall: 13411.5, 0.00291562/step, 0.391827 hours remaining, 210.718750 MB of memory in use. ENERGY: 4516200 725.8578 2072.5968 1915.8564 124.4478 -205585.6098 17441.6476 0.0000 0.0000 34326.3932 -148978.8102 299.7809 -183305.2034 -148876.2985 300.1460 -141.2898 -105.4324 556881.2980 18.2033 18.2223 LDB: ============= START OF LOAD BALANCING ============== 13415 LDB: ============== END OF LOAD BALANCING =============== 13415 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13415 LDB: ============= START OF LOAD BALANCING ============== 13415.3 LDB: Largest compute 4801 load 0.021953 is 18.6% of average load 0.118239 LDB: Average compute 0.001738 is 1.5% of average load 0.118239 LDB: TIME 13415.3 LOAD: AVG 0.118239 MAX 0.196983 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.922 MB LDB: TIME 13415.3 LOAD: AVG 0.118239 MAX 0.196983 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.926 MB LDB: TIME 13415.3 LOAD: AVG 0.118239 MAX 0.196983 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.926 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13415.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13415.3 PRESSURE: 4516400 272.794 23.3029 57.1329 23.3032 134.729 222.257 57.1327 222.259 145.303 GPRESSURE: 4516400 289.601 108.195 175.542 -18.2375 135.294 257.6 -15.3684 188.626 227.826 PRESSAVG: 4516400 -29.1142 -52.2821 -4.88943 -52.2821 6.06965 -8.41899 -4.88929 -8.41898 15.3285 GPRESSAVG: 4516400 -29.9791 -54.7912 -2.83463 -52.2173 5.27565 -7.15372 -4.31755 -8.45705 16.5424 TIMING: 4516400 CPU: 13412.1, 0.00299779/step Wall: 13412.1, 0.00299779/step, 0.402703 hours remaining, 207.898438 MB of memory in use. ENERGY: 4516400 737.0443 2075.6845 1928.6926 119.6898 -206464.7036 18026.8112 0.0000 0.0000 34516.6932 -149060.0880 301.4429 -183576.7812 -148965.2137 300.0937 184.2755 217.5735 554962.5139 -2.5720 -2.7203 PRESSURE: 4516600 -434.467 89.4714 253.518 89.4721 -85.3052 -34.3308 253.518 -34.3303 -189.057 GPRESSURE: 4516600 -338.9 165.014 185.081 92.2604 -33.4297 -95.0927 285.247 -19.8167 -225.432 PRESSAVG: 4516600 35.3168 15.102 25.873 15.102 7.42192 42.3729 25.873 42.3729 -5.81852 GPRESSAVG: 4516600 37.354 15.9492 27.0407 15.1707 6.60326 42.4646 25.1771 44.0818 -6.85245 TIMING: 4516600 CPU: 13412.7, 0.0029453/step Wall: 13412.7, 0.0029453/step, 0.395488 hours remaining, 207.898438 MB of memory in use. ENERGY: 4516600 752.3905 2104.3621 1943.6222 125.2764 -205651.2464 17378.9130 0.0000 0.0000 34300.4165 -149046.2657 299.5541 -183346.6822 -148945.6976 299.8484 -236.2765 -199.2538 556276.9422 12.3067 12.3683 PRESSURE: 4516800 64.5679 -15.773 -39.8312 -15.7725 0.707087 -71.0458 -39.8314 -71.0478 -173.236 GPRESSURE: 4516800 98.5926 -40.8838 -11.4593 -77.4215 10.9532 -134.845 -76.4755 -7.57515 -125.602 PRESSAVG: 4516800 -22.8895 28.9655 4.59556 28.9655 30.8218 28.5459 4.59545 28.5459 5.05708 GPRESSAVG: 4516800 -25.1141 31.7445 4.13647 28.3206 31.8469 27.7202 4.41633 26.6947 5.81933 TIMING: 4516800 CPU: 13413.3, 0.00292338/step Wall: 13413.3, 0.00292338/step, 0.392382 hours remaining, 207.898438 MB of memory in use. ENERGY: 4516800 737.3678 2036.7688 1947.1255 109.6051 -205785.9265 17581.2752 0.0000 0.0000 34286.9211 -149086.8629 299.4362 -183373.7841 -148990.3767 299.8006 -35.9872 -5.3519 555138.0726 4.3298 4.1840 PRESSURE: 4517000 46.3758 -37.9732 -45.5646 -37.9741 19.5524 -85.457 -45.566 -85.4578 21.6695 GPRESSURE: 4517000 79.9099 22.8102 -13.8184 -23.824 21.1675 -77.4346 -39.1199 -83.9886 77.0257 PRESSAVG: 4517000 2.56584 -15.048 -82.6316 -15.048 18.1342 -29.1458 -82.6317 -29.1456 -57.42 GPRESSAVG: 4517000 3.16757 -15.9208 -81.3872 -18.9327 17.1282 -28.9181 -82.2538 -28.4151 -56.997 TIMING: 4517000 CPU: 13413.9, 0.0029401/step Wall: 13413.9, 0.0029401/step, 0.394464 hours remaining, 207.898438 MB of memory in use. ENERGY: 4517000 717.8067 2031.4623 1935.6375 117.2268 -206068.1550 17673.7986 0.0000 0.0000 34398.1908 -149194.0323 300.4080 -183592.2231 -149092.5681 299.4975 29.1992 59.3677 557393.6602 -12.2400 -12.2338 PRESSURE: 4517200 112.932 -74.9214 1.9906 -74.921 77.4167 -104.83 1.99029 -104.83 256.058 GPRESSURE: 4517200 106.277 -95.906 67.0292 -79.3177 132.905 -106.609 -38.6829 -80.5477 289.072 PRESSAVG: 4517200 -53.2261 -57.4671 36.3754 -57.4671 0.80109 12.2229 36.3754 12.2231 22.2294 GPRESSAVG: 4517200 -53.1104 -58.887 33.8205 -52.3419 0.815923 13.5113 38.0066 10.4977 22.1512 TIMING: 4517200 CPU: 13414.4, 0.00292062/step Wall: 13414.4, 0.00292062/step, 0.391687 hours remaining, 207.898438 MB of memory in use. ENERGY: 4517200 693.8917 2111.6462 1920.6375 113.7977 -206177.2001 17944.0308 0.0000 0.0000 34229.9853 -149163.2109 298.9390 -183393.1961 -149074.9849 298.8034 148.8022 176.0845 557445.2641 -10.0652 -10.0478 PRESSURE: 4517400 -259.003 27.1152 -58.4792 27.1132 -234.6 -118.456 -58.4787 -118.455 -145.608 GPRESSURE: 4517400 -203.276 -26.8955 -10.2326 -13.1312 -134.144 -128.312 -69.7838 -35.8832 -199.025 PRESSAVG: 4517400 -0.605798 17.946 -59.9742 17.9461 -5.72462 5.82986 -59.9742 5.82982 -2.71496 GPRESSAVG: 4517400 -0.122837 19.2053 -58.0456 15.1421 -5.39231 3.89691 -61.5718 7.8708 -3.36993 TIMING: 4517400 CPU: 13415, 0.00292283/step Wall: 13415, 0.00292283/step, 0.391822 hours remaining, 207.898438 MB of memory in use. ENERGY: 4517400 744.0388 2090.2291 1896.1059 109.2558 -205957.0277 17690.7013 0.0000 0.0000 34287.6879 -149139.0088 299.4429 -183426.6967 -149046.1331 300.2018 -213.0704 -178.8148 557149.3685 -3.0151 -2.9617 PRESSURE: 4517600 -17.7847 381.905 202.478 381.904 -46.3574 -45.2677 202.478 -45.2663 -185.498 GPRESSURE: 4517600 35.1655 339.651 105.622 329.532 -3.9023 -25.3091 218.735 -28.0893 -179.588 PRESSAVG: 4517600 19.9907 24.1666 8.02182 24.1665 -38.5182 -23.627 8.0218 -23.6269 -10.3209 GPRESSAVG: 4517600 20.2134 25.1377 6.57599 24.5031 -38.1483 -23.0474 9.18243 -23.4448 -10.7687 TIMING: 4517600 CPU: 13415.6, 0.00293122/step Wall: 13415.6, 0.00293122/step, 0.392784 hours remaining, 207.898438 MB of memory in use. ENERGY: 4517600 734.0118 2080.2896 1888.6724 115.9037 -205715.4774 17525.9836 0.0000 0.0000 34373.3364 -148997.2799 300.1909 -183370.6163 -148904.0779 300.2362 -83.2133 -49.4415 556555.2788 -9.6161 -9.5679 PRESSURE: 4517800 93.4235 -135.589 67.6436 -135.589 295.663 19.9674 67.6433 19.968 145.681 GPRESSURE: 4517800 154.398 -95.048 69.0703 -94.2967 284.493 -30.9635 130.558 26.9533 188.842 PRESSAVG: 4517800 18.5738 -26.483 -28.7886 -26.4831 55.5919 -32.4386 -28.7886 -32.4387 -32.7679 GPRESSAVG: 4517800 17.7364 -27.2021 -27.6636 -26.1318 55.479 -32.1052 -28.0686 -31.4221 -31.7803 TIMING: 4517800 CPU: 13416.2, 0.0029512/step Wall: 13416.2, 0.0029512/step, 0.395297 hours remaining, 207.898438 MB of memory in use. ENERGY: 4517800 728.9792 2063.0571 1901.3890 111.8074 -205977.8848 17755.6010 0.0000 0.0000 34427.9881 -148989.0629 300.6682 -183417.0509 -148890.5121 300.3373 178.2560 209.2444 555222.0389 13.7993 13.8117 PRESSURE: 4518000 -374.636 161.081 -132.477 161.079 -67.5942 130.06 -132.476 130.059 25.7021 GPRESSURE: 4518000 -356.271 163.805 -100.735 73.1059 -30.2422 44.3274 -91.5283 176.445 58.9245 PRESSAVG: 4518000 -31.7792 10.4515 -60.8023 10.4516 49.3447 31.2312 -60.8023 31.2311 3.431 GPRESSAVG: 4518000 -32.2939 10.0701 -61.8254 9.82496 49.383 30.4435 -61.7805 31.876 4.51541 TIMING: 4518000 CPU: 13416.8, 0.00293937/step Wall: 13416.8, 0.00293937/step, 0.39355 hours remaining, 207.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4518000 756.7333 2050.7683 1904.5176 118.4376 -205664.3966 17625.0893 0.0000 0.0000 34011.8019 -149197.0486 297.0335 -183208.8504 -149097.0093 299.6940 -138.8428 -109.1962 557094.4966 6.9988 7.2015 PRESSURE: 4518200 -142.124 -68.6465 112.279 -68.6462 5.96394 150.792 112.279 150.792 -247.856 GPRESSURE: 4518200 -91.3297 -17.2571 125.409 -25.6482 -3.29383 195.422 153.257 57.3727 -199.699 PRESSAVG: 4518200 7.22981 15.0631 -28.4926 15.0631 1.35577 50.2457 -28.4926 50.2456 -20.4008 GPRESSAVG: 4518200 6.95587 14.4909 -28.3319 16.893 2.03638 52.1001 -29.2481 47.0362 -21.3844 TIMING: 4518200 CPU: 13417.4, 0.00293798/step Wall: 13417.4, 0.00293798/step, 0.393199 hours remaining, 207.898438 MB of memory in use. ENERGY: 4518200 758.4683 2105.8011 1931.6524 97.9321 -205941.3486 17653.8448 0.0000 0.0000 34195.2104 -149198.4396 298.6353 -183393.6499 -149107.0840 299.3164 -128.0055 -98.1076 556010.0731 -3.9384 -4.1307 PRESSURE: 4518400 -111.294 -71.4508 279.612 -71.4509 -113.757 97.6337 279.611 97.6354 -115.746 GPRESSURE: 4518400 -70.6132 8.14519 206.014 -86.7139 -43.9923 38.1912 280.54 153.837 -131.323 PRESSAVG: 4518400 -3.08859 31.9315 51.1929 31.9315 20.3054 78.3653 51.1928 78.3653 -2.53478 GPRESSAVG: 4518400 -2.77586 30.6964 50.0889 31.3304 20.4057 78.3018 51.177 78.0166 -2.58639 TIMING: 4518400 CPU: 13418, 0.0029788/step Wall: 13418, 0.0029788/step, 0.398497 hours remaining, 207.898438 MB of memory in use. ENERGY: 4518400 758.2038 2123.1052 1918.4683 114.3479 -205985.6209 17767.4476 0.0000 0.0000 34202.1093 -149101.9388 298.6955 -183304.0481 -149013.5548 299.3706 -113.5990 -81.9762 557725.3624 4.8940 5.0145 PRESSURE: 4518600 -38.4879 160.504 153.282 160.503 -181.61 58.5993 153.282 58.6005 -2.44359 GPRESSURE: 4518600 -25.1578 118.584 102.764 213.334 -142.082 49.7286 120.646 -77.4685 41.6764 PRESSAVG: 4518600 3.51452 28.3738 36.3567 28.3737 23.8133 15.4322 36.3566 15.4321 -35.399 GPRESSAVG: 4518600 2.67124 29.9459 36.0417 29.0515 23.3741 16.277 37.3314 16.5936 -34.2729 TIMING: 4518600 CPU: 13418.6, 0.00297894/step Wall: 13418.6, 0.00297894/step, 0.398351 hours remaining, 207.898438 MB of memory in use. ENERGY: 4518600 775.8187 2065.6224 1911.8064 108.8971 -206284.4179 17856.3904 0.0000 0.0000 34310.1069 -149255.7760 299.6387 -183565.8829 -149157.6882 299.2081 -74.1804 -41.8545 556200.6312 -2.6904 -2.7425 PRESSURE: 4518800 -100.969 45.0271 -239.538 45.0262 -106.358 68.9993 -239.538 68.9985 -259.411 GPRESSURE: 4518800 -99.7419 6.79366 -236.802 71.5201 -40.0274 85.4044 -197.467 66.254 -224.618 PRESSAVG: 4518800 34.607 -10.5293 -16.786 -10.5293 -55.2098 41.0502 -16.7861 41.0503 1.27918 GPRESSAVG: 4518800 34.5821 -9.78919 -14.6112 -11.6885 -53.9243 40.263 -17.6664 41.5094 0.440685 TIMING: 4518800 CPU: 13419.2, 0.00297046/step Wall: 13419.2, 0.00297046/step, 0.397052 hours remaining, 207.898438 MB of memory in use. ENERGY: 4518800 743.0781 2061.6671 1917.4227 127.6637 -205747.5180 17585.2381 0.0000 0.0000 34237.6264 -149074.8220 299.0057 -183312.4484 -148979.2469 299.6700 -155.5796 -121.4623 557838.8459 -6.4412 -6.3005 PRESSURE: 4519000 -273.372 -51.5013 73.8192 -51.5018 -277.739 125.339 73.8186 125.339 3.07616 GPRESSURE: 4519000 -277.816 -21.5517 145.285 -47.8608 -272.722 91.276 20.4655 226.151 85.3351 PRESSAVG: 4519000 6.85545 -14.5517 -58.9916 -14.5516 -25.9943 36.9948 -58.9916 36.9948 74.8706 GPRESSAVG: 4519000 6.69811 -16.1754 -58.2291 -14.8733 -26.9305 37.2821 -60.308 35.5364 76.2171 TIMING: 4519000 CPU: 13419.8, 0.00293609/step Wall: 13419.8, 0.00293609/step, 0.392294 hours remaining, 207.898438 MB of memory in use. ENERGY: 4519000 748.0657 2105.9031 1923.7531 109.9240 -205721.8805 17407.4143 0.0000 0.0000 34243.8450 -149182.9753 299.0600 -183426.8203 -149089.3439 299.7195 -182.6783 -155.0677 558105.9526 18.5772 18.6616 PRESSURE: 4519200 163.275 -77.1159 60.4609 -77.1165 84.4894 4.48651 60.4595 4.48681 -75.2869 GPRESSURE: 4519200 257.555 -116.707 97.605 -106.963 108.242 44.597 67.601 -10.009 -100.207 PRESSAVG: 4519200 -1.68701 6.76503 10.0874 6.76503 -40.7998 57.8717 10.0873 57.8717 37.9659 GPRESSAVG: 4519200 -0.0589292 8.77675 7.36629 6.85893 -41.4369 57.7976 10.2055 59.8891 37.423 TIMING: 4519200 CPU: 13420.3, 0.002961/step Wall: 13420.3, 0.002961/step, 0.395458 hours remaining, 207.898438 MB of memory in use. ENERGY: 4519200 744.8895 2133.0704 1925.0117 113.8343 -205818.0585 17837.7988 0.0000 0.0000 34071.2860 -148992.1677 297.5530 -183063.4537 -148892.5040 299.5050 57.4924 88.5298 558383.3016 -1.5070 -1.3576 PRESSURE: 4519400 -95.2513 56.8206 17.1856 56.8214 -299.609 15.1064 17.1865 15.1054 -291.949 GPRESSURE: 4519400 -34.4878 88.8663 -18.9662 16.3664 -298.87 41.3646 8.59516 -12.2926 -246.035 PRESSAVG: 4519400 30.7599 23.107 -12.7303 23.107 -39.9201 -8.23088 -12.7304 -8.23085 -1.04326 GPRESSAVG: 4519400 30.9965 22.1267 -13.7491 25.33 -39.4745 -8.89478 -9.71923 -9.11038 -1.14744 TIMING: 4519400 CPU: 13420.9, 0.00295545/step Wall: 13420.9, 0.00295545/step, 0.394553 hours remaining, 207.898438 MB of memory in use. ENERGY: 4519400 729.5487 2169.8752 1932.1846 110.7243 -206084.9872 17641.8534 0.0000 0.0000 34408.2486 -149092.5524 300.4958 -183500.8010 -148994.5930 299.2478 -228.9364 -193.1309 559795.7598 -3.4012 -3.2085 PRESSURE: 4519600 -417.011 -169.158 -4.71661 -169.159 63.6469 -31.8642 -4.71614 -31.863 -123.063 GPRESSURE: 4519600 -403.42 -151.107 -14.8227 -152.047 102.754 -62.2584 -15.5561 -43.822 -70.0347 PRESSAVG: 4519600 -12.4879 -1.78922 30.0797 -1.7892 -12.4886 -11.4289 30.0798 -11.4289 19.1911 GPRESSAVG: 4519600 -12.7021 0.236156 31.0432 -4.11055 -11.5769 -10.4334 28.1351 -13.3336 18.6026 TIMING: 4519600 CPU: 13421.5, 0.00295706/step Wall: 13421.5, 0.00295706/step, 0.394603 hours remaining, 207.898438 MB of memory in use. ENERGY: 4519600 747.9062 2072.0748 1931.0959 120.1158 -206074.9437 17844.9406 0.0000 0.0000 34336.5521 -149022.2582 299.8696 -183358.8104 -148919.1728 299.7504 -158.8091 -123.5670 559253.2520 -1.9285 -1.8922 PRESSURE: 4519800 -141.415 -55.2218 166.157 -55.2206 -81.6589 -33.4745 166.157 -33.4757 -187.481 GPRESSURE: 4519800 -116.589 0.209459 147.865 -75.7949 -79.1542 -53.416 204.439 48.732 -109.817 PRESSAVG: 4519800 12.7886 -5.12539 47.7158 -5.12546 -41.7591 30.7012 47.7158 30.7013 0.869225 GPRESSAVG: 4519800 14.4641 -7.57821 50.6928 -3.64213 -44.1649 31.0074 47.3154 31.93 1.67893 TIMING: 4519800 CPU: 13422.1, 0.00293988/step Wall: 13422.1, 0.00293988/step, 0.392148 hours remaining, 207.898438 MB of memory in use. ENERGY: 4519800 755.5516 2088.5540 1942.2396 111.1905 -206136.0591 17782.5774 0.0000 0.0000 34394.2183 -149061.7278 300.3733 -183455.9461 -148960.5767 299.7878 -136.8515 -101.8534 557783.6281 -9.3671 -9.3406 PRESSURE: 4520000 107.703 -78.5237 22.3912 -78.5228 -37.5986 4.45462 22.3924 4.45411 105.659 GPRESSURE: 4520000 123.799 -1.80504 -4.03886 -108.786 -8.81447 71.3935 11.9466 -15.4242 148.327 PRESSAVG: 4520000 12.1659 19.5605 55.037 19.5605 -16.7953 -13.1768 55.0369 -13.1767 34.5682 GPRESSAVG: 4520000 11.2565 21.1374 53.251 18.9591 -15.5247 -13.0877 55.0088 -11.5891 34.0817 TIMING: 4520000 CPU: 13422.7, 0.00295464/step Wall: 13422.7, 0.00295464/step, 0.393952 hours remaining, 207.898438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4520000 752.5538 2075.9256 1937.9470 108.0500 -206016.0565 17884.7772 0.0000 0.0000 34177.3804 -149079.4225 298.4796 -183256.8029 -148981.8206 300.2175 58.5878 87.7705 557982.0791 9.9796 9.9379 PRESSURE: 4520200 134.407 -52.3929 -170.568 -52.3931 53.5032 -214.661 -170.568 -214.662 -155.037 GPRESSURE: 4520200 151.539 -95.1423 -142.63 -3.35448 144.307 -210.693 -283.417 -180.689 -171.375 PRESSAVG: 4520200 33.1473 -6.49364 -32.0429 -6.49364 17.6599 4.74982 -32.0429 4.74974 -8.66511 GPRESSAVG: 4520200 33.1121 -8.41495 -31.2301 -5.26051 16.9857 2.14134 -30.9702 2.66214 -8.56539 TIMING: 4520200 CPU: 13423.3, 0.00295436/step Wall: 13423.3, 0.00295436/step, 0.39375 hours remaining, 207.898438 MB of memory in use. ENERGY: 4520200 750.0841 2102.6111 1943.2678 108.8340 -206130.4107 17869.3431 0.0000 0.0000 34227.6587 -149128.6119 298.9187 -183356.2707 -149033.1242 299.5150 10.9578 41.4902 558119.0048 14.0474 13.8441 LDB: ============= START OF LOAD BALANCING ============== 13426.8 LDB: ============== END OF LOAD BALANCING =============== 13426.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13426.8 LDB: ============= START OF LOAD BALANCING ============== 13427.1 LDB: Largest compute 4772 load 0.020805 is 17.6% of average load 0.118292 LDB: Average compute 0.001739 is 1.5% of average load 0.118292 LDB: TIME 13427.1 LOAD: AVG 0.118292 MAX 0.197509 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.086 MB LDB: TIME 13427.1 LOAD: AVG 0.118292 MAX 0.197509 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.289 MB LDB: TIME 13427.1 LOAD: AVG 0.118292 MAX 0.197509 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.289 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13427.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13427.2 PRESSURE: 4520400 38.4055 148.015 -0.141593 148.014 -217.794 95.5514 -0.142789 95.551 -62.9398 GPRESSURE: 4520400 52.5494 184.847 -92.3425 108.302 -193.898 138.987 -20.0405 76.8711 -5.95819 PRESSAVG: 4520400 -34.4881 10.6061 -27.3061 10.6061 93.8634 48.9817 -27.3062 48.9816 -41.9682 GPRESSAVG: 4520400 -35.3628 11.7097 -26.7327 9.66823 95.2585 50.3428 -29.227 50.6157 -42.1587 TIMING: 4520400 CPU: 13423.9, 0.00302853/step Wall: 13423.9, 0.00302853/step, 0.403468 hours remaining, 209.578125 MB of memory in use. ENERGY: 4520400 746.7134 2113.1858 1939.0204 127.8498 -205699.3326 17517.3860 0.0000 0.0000 34165.2839 -149089.8934 298.3739 -183255.1773 -148986.7878 298.9574 -80.7761 -49.1021 558346.8349 5.8023 5.9124 PRESSURE: 4520600 -90.4885 182.497 56.156 182.498 -182.401 -105.293 56.1565 -105.293 91.5221 GPRESSURE: 4520600 -62.5546 187.027 43.594 160.27 -106.667 -106.708 91.9206 -127.018 85.3197 PRESSAVG: 4520600 -28.5706 3.74226 74.5462 3.7423 9.6974 16.738 74.5462 16.7381 2.65545 GPRESSAVG: 4520600 -27.6826 3.92114 74.0449 3.72776 9.01804 16.8689 75.4827 14.9643 2.00938 TIMING: 4520600 CPU: 13424.5, 0.00294252/step Wall: 13424.5, 0.00294252/step, 0.391846 hours remaining, 209.578125 MB of memory in use. ENERGY: 4520600 771.7146 2119.6032 1962.0488 95.7791 -206218.3325 17803.0328 0.0000 0.0000 34367.0908 -149099.0630 300.1364 -183466.1539 -148999.2114 299.2840 -60.4558 -27.9672 558117.7178 -5.4059 -5.5517 PRESSURE: 4520800 244.1 117.017 84.9796 117.017 -45.6914 159.751 84.9807 159.751 -39.1509 GPRESSURE: 4520800 272.703 83.2249 51.3918 90.3885 -7.25897 84.9496 120.088 57.0781 -11.5034 PRESSAVG: 4520800 -54.7211 50.661 47.4322 50.6611 12.1729 -3.55406 47.4322 -3.55399 22.283 GPRESSAVG: 4520800 -56.344 51.7551 47.4304 49.0153 12.3561 -3.97025 47.9211 -3.90245 23.8916 TIMING: 4520800 CPU: 13425.1, 0.00296254/step Wall: 13425.1, 0.00296254/step, 0.394347 hours remaining, 209.578125 MB of memory in use. ENERGY: 4520800 711.6998 2100.2519 1966.8671 117.8170 -206448.0662 17887.5583 0.0000 0.0000 34409.1054 -149254.7667 300.5033 -183663.8721 -149158.2937 298.9216 53.0859 84.6469 556855.1395 -6.7551 -6.6987 PRESSURE: 4521000 -176.587 65.0264 -21.2897 65.0273 -23.2722 29.5056 -21.29 29.5061 93.7522 GPRESSURE: 4521000 -162.871 97.6761 97.019 38.7174 1.51251 42.2383 -56.1573 112.694 147.373 PRESSAVG: 4521000 -36.8485 28.8409 -5.54263 28.8409 -36.8565 61.296 -5.54258 61.296 31.5234 GPRESSAVG: 4521000 -36.8757 28.509 -4.60551 30.3436 -37.8117 63.6093 -6.19698 61.0942 31.9214 TIMING: 4521000 CPU: 13425.7, 0.0029839/step Wall: 13425.7, 0.0029839/step, 0.397024 hours remaining, 209.578125 MB of memory in use. ENERGY: 4521000 740.0730 2133.2544 1927.4639 125.0316 -206209.9083 17843.2541 0.0000 0.0000 34184.9051 -149255.9262 298.5453 -183440.8313 -149159.1932 299.3960 -35.3691 -4.6619 557955.2637 -14.0605 -14.2553 PRESSURE: 4521200 196.686 6.13932 -88.7997 6.13803 9.85001 29.1481 -88.8002 29.1487 212.445 GPRESSURE: 4521200 260.1 12.8521 -98.4055 48.9648 30.8673 -24.5262 -57.1869 90.4588 236.093 PRESSAVG: 4521200 -71.1154 -23.371 -30.7487 -23.371 -10.2942 30.7476 -30.7488 30.7476 57.1219 GPRESSAVG: 4521200 -69.74 -24.3526 -32.8868 -22.3754 -11.1156 25.335 -28.778 32.9257 56.4733 TIMING: 4521200 CPU: 13426.3, 0.00294684/step Wall: 13426.3, 0.00294684/step, 0.391929 hours remaining, 209.578125 MB of memory in use. ENERGY: 4521200 773.9470 2056.9521 1932.8029 108.4538 -206384.9442 17974.3230 0.0000 0.0000 34213.7861 -149324.6793 298.7975 -183538.4655 -149226.4887 299.2501 139.6605 175.6867 556936.2173 -8.0959 -8.1274 PRESSURE: 4521400 -168.479 163.552 -189.112 163.552 -8.70866 115.583 -189.112 115.582 -246.284 GPRESSURE: 4521400 -147.608 259.377 -165.627 186.835 50.0329 145.229 -145.042 79.2327 -234.048 PRESSAVG: 4521400 -8.3878 17.4586 -59.0767 17.4586 -39.9923 20.2022 -59.0767 20.2022 43.7038 GPRESSAVG: 4521400 -8.23757 16.5264 -57.6514 18.9622 -39.205 22.0015 -61.3471 21.7054 42.9216 TIMING: 4521400 CPU: 13426.9, 0.0029423/step Wall: 13426.9, 0.0029423/step, 0.391162 hours remaining, 209.578125 MB of memory in use. ENERGY: 4521400 779.9116 2101.1575 1938.7881 111.4384 -205814.1944 17485.8352 0.0000 0.0000 34178.4138 -149218.6496 298.4886 -183397.0635 -149120.0251 299.1582 -141.1573 -110.5413 557570.1407 -1.5588 -1.5070 PRESSURE: 4521600 -111.268 107.507 156.993 107.508 36.6515 -43.7389 156.993 -43.7387 -355.527 GPRESSURE: 4521600 -74.3529 41.8795 177.839 108.226 35.0738 -21.698 217.568 -44.461 -288.058 PRESSAVG: 4521600 36.9747 -9.4211 -9.28648 -9.42112 36.7186 64.119 -9.28642 64.1192 -55.08 GPRESSAVG: 4521600 35.2925 -7.49592 -7.53475 -11.916 37.4315 65.5001 -8.26682 63.0897 -54.2159 TIMING: 4521600 CPU: 13427.4, 0.00294247/step Wall: 13427.4, 0.00294247/step, 0.391022 hours remaining, 209.578125 MB of memory in use. ENERGY: 4521600 738.4871 2091.3861 1947.6320 116.0257 -206121.5985 17679.1524 0.0000 0.0000 34402.5371 -149146.3781 300.4459 -183548.9152 -149043.7091 299.4111 -143.3811 -109.1124 557350.1029 6.2044 6.1693 PRESSURE: 4521800 -163.848 146.463 -48.6569 146.462 -229.802 255.982 -48.6557 255.982 -332.513 GPRESSURE: 4521800 -117.164 164.715 20.1324 181.38 -171.445 370.712 -64.7279 121.204 -340.196 PRESSAVG: 4521800 -14.527 -5.96913 -19.3433 -5.96908 1.65804 7.52863 -19.3433 7.52868 10.2359 GPRESSAVG: 4521800 -12.808 -4.82399 -22.4246 -6.10423 0.711461 7.78754 -18.7632 6.56315 8.86936 TIMING: 4521800 CPU: 13428, 0.00292611/step Wall: 13428, 0.00292611/step, 0.388684 hours remaining, 209.578125 MB of memory in use. ENERGY: 4521800 736.2477 2214.7953 1932.6920 114.3578 -205671.4778 17357.1827 0.0000 0.0000 34176.3799 -149139.8225 298.4708 -183316.2024 -149048.7246 299.1171 -242.0543 -209.6016 557756.6277 -0.8777 -1.0757 PRESSURE: 4522000 -231.325 11.3245 32.2602 11.3252 264.232 2.92561 32.2613 2.92611 15.1161 GPRESSURE: 4522000 -144.906 -5.77119 5.00428 18.0652 246.522 12.5354 109.49 -30.4568 53.5421 PRESSAVG: 4522000 4.13408 42.7188 -15.1009 42.7188 -20.4642 -6.12564 -15.1008 -6.12563 5.9969 GPRESSAVG: 4522000 2.30968 39.3094 -13.9704 44.7185 -19.8459 -5.49553 -15.783 -4.79859 6.65452 TIMING: 4522000 CPU: 13428.6, 0.00292518/step Wall: 13428.6, 0.00292518/step, 0.388399 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4522000 767.3524 2013.7248 1953.6721 111.4512 -206302.6130 17936.6449 0.0000 0.0000 34269.9268 -149249.8409 299.2878 -183519.7677 -149152.1862 298.9381 16.0075 51.7195 556175.5349 -3.4444 -3.6272 PRESSURE: 4522200 10.8114 128.592 31.9035 128.593 -402.746 -21.2408 31.9022 -21.2385 20.7208 GPRESSURE: 4522200 -23.8248 28.0306 46.7253 187.965 -289.57 -69.6209 40.1 -68.2092 44.4787 PRESSAVG: 4522200 -37.9931 41.7788 -22.3271 41.7788 -8.06151 -21.8521 -22.3272 -21.852 37.7128 GPRESSAVG: 4522200 -37.4405 46.3533 -23.5909 39.4893 -9.02818 -22.1934 -21.3979 -21.5632 38.3931 TIMING: 4522200 CPU: 13429.2, 0.00292253/step Wall: 13429.2, 0.00292253/step, 0.387884 hours remaining, 209.578125 MB of memory in use. ENERGY: 4522200 769.0934 2126.8380 1936.8663 112.6452 -205856.2981 17534.7608 0.0000 0.0000 34183.9326 -149192.1616 298.5368 -183376.0942 -149093.1080 299.2482 -123.7379 -89.6388 557474.5111 -2.7806 -2.6919 PRESSURE: 4522400 97.7617 93.3892 112.198 93.3886 114.018 -51.2011 112.198 -51.2003 -96.3981 GPRESSURE: 4522400 94.8413 90.3457 39.6957 69.6404 173.215 -62.5105 157.974 -96.9895 -54.232 PRESSAVG: 4522400 37.7042 89.4544 -2.49886 89.4544 18.004 -29.8661 -2.4988 -29.8659 -50.7714 GPRESSAVG: 4522400 38.2295 86.3478 -2.25758 90.32 18.2848 -29.984 -3.9437 -31.6265 -51.4758 TIMING: 4522400 CPU: 13429.8, 0.00291441/step Wall: 13429.8, 0.00291441/step, 0.386645 hours remaining, 209.578125 MB of memory in use. ENERGY: 4522400 785.5942 2105.1547 1950.9147 113.5984 -206276.1185 17993.7231 0.0000 0.0000 34067.3854 -149259.7478 297.5189 -183327.1333 -149164.8221 299.4945 38.4606 71.2747 556931.5031 1.6456 1.6795 PRESSURE: 4522600 178.731 2.9795 50.1551 2.9787 -65.1357 -5.65881 50.1551 -5.66029 -174.919 GPRESSURE: 4522600 218.38 -26.1756 87.838 12.2698 -17.3674 -36.2259 76.8692 -55.4861 -166.901 PRESSAVG: 4522600 58.7308 24.2805 -11.4721 24.2805 -22.017 -16.1041 -11.4721 -16.1041 0.0909524 GPRESSAVG: 4522600 58.4378 25.7058 -11.3393 23.3829 -22.3067 -16.0313 -11.8242 -14.4059 0.732801 TIMING: 4522600 CPU: 13430.4, 0.00292997/step Wall: 13430.4, 0.00292997/step, 0.388547 hours remaining, 209.578125 MB of memory in use. ENERGY: 4522600 734.6553 2055.4429 1947.4810 103.5236 -206124.6955 17846.7535 0.0000 0.0000 34153.1265 -149283.7126 298.2677 -183436.8391 -149189.6976 299.1546 -20.4413 11.3703 556823.0883 12.2683 12.2879 PRESSURE: 4522800 -247.974 -84.9993 -57.8653 -84.9993 60.4315 35.0668 -57.8649 35.0662 68.6443 GPRESSURE: 4522800 -212.31 -176.19 3.04979 -70.7201 86.0858 38.8104 -98.9991 -12.6463 97.8624 PRESSAVG: 4522800 -27.9212 -12.52 -60.646 -12.52 -18.7139 -18.6952 -60.6459 -18.6952 23.9671 GPRESSAVG: 4522800 -27.7556 -13.3509 -60.5324 -11.4607 -18.6325 -18.5854 -59.4158 -21.1638 23.5212 TIMING: 4522800 CPU: 13431, 0.00292836/step Wall: 13431, 0.00292836/step, 0.388171 hours remaining, 209.578125 MB of memory in use. ENERGY: 4522800 748.0803 2056.4226 1935.7393 108.6477 -206355.1245 17882.0996 0.0000 0.0000 34176.9707 -149447.1643 298.4760 -183624.1350 -149343.2377 299.1163 -39.6328 -9.4539 558690.5885 -7.5560 -7.6223 PRESSURE: 4523000 72.671 -34.6211 1.71591 -34.6215 219.533 -51.2429 1.71563 -51.2424 -131.728 GPRESSURE: 4523000 108.194 -59.4184 37.9877 8.34552 223.286 30.3357 -31.2546 -75.3557 -65.0791 PRESSAVG: 4523000 -40.705 -15.5266 14.8644 -15.5266 16.2517 13.7272 14.8644 13.7271 40.4179 GPRESSAVG: 4523000 -41.4049 -13.1787 16.7708 -17.8763 16.738 14.3186 12.9082 12.6029 40.0826 TIMING: 4523000 CPU: 13431.5, 0.00292394/step Wall: 13431.5, 0.00292394/step, 0.387422 hours remaining, 209.578125 MB of memory in use. ENERGY: 4523000 725.9332 2026.6486 1948.4766 111.0506 -206485.4183 17977.7447 0.0000 0.0000 34143.7742 -149551.7902 298.1861 -183695.5644 -149457.7755 298.7901 53.4920 88.8002 557404.4078 5.3215 5.1386 PRESSURE: 4523200 176.793 -174.527 15.7515 -174.527 432.458 -14.4162 15.7517 -14.4166 36.5682 GPRESSURE: 4523200 177.305 -126.46 -66.0217 -91.947 460.086 -62.4956 -42.2899 -70.2167 112.199 PRESSAVG: 4523200 86.7191 -10.7857 -5.97911 -10.7857 -30.9257 -21.1665 -5.97909 -21.1665 -94.7641 GPRESSAVG: 4523200 85.0595 -12.2088 -7.79987 -8.905 -31.0816 -21.8551 -4.95855 -19.3113 -92.9553 TIMING: 4523200 CPU: 13432.1, 0.0029612/step Wall: 13432.1, 0.0029612/step, 0.392194 hours remaining, 209.578125 MB of memory in use. ENERGY: 4523200 683.7320 2116.5473 1923.1324 105.3623 -206587.9426 18023.8796 0.0000 0.0000 34256.1049 -149479.1841 299.1671 -183735.2890 -149390.7215 298.2304 215.2729 249.8631 556589.5510 -12.9902 -12.9925 PRESSURE: 4523400 324.753 94.7151 123.352 94.7144 191.098 -134.478 123.352 -134.478 322.079 GPRESSURE: 4523400 381.819 68.9143 136.362 64.4912 220.48 -85.5104 82.7458 -211.97 326.003 PRESSAVG: 4523400 -26.3521 6.06479 -34.1622 6.0648 -76.1206 -4.55081 -34.1622 -4.55093 44.2648 GPRESSAVG: 4523400 -23.9167 6.17763 -32.6538 5.56153 -76.4129 -3.36553 -33.7713 -5.35724 42.2229 TIMING: 4523400 CPU: 13432.7, 0.00292255/step Wall: 13432.7, 0.00292255/step, 0.386913 hours remaining, 209.578125 MB of memory in use. ENERGY: 4523400 740.3416 2092.3128 1927.8652 124.5184 -206566.4249 18126.3623 0.0000 0.0000 34366.9967 -149188.0279 300.1355 -183555.0246 -149089.2677 298.6561 279.3102 309.4340 556561.5627 -19.4027 -19.3689 PRESSURE: 4523600 -340.917 -51.9835 -50.1064 -51.9846 125.391 152.708 -50.1056 152.709 3.17525 GPRESSURE: 4523600 -242.748 -15.3566 -98.4839 -174.419 186.177 122.195 -58.3526 209.221 -39.7936 PRESSAVG: 4523600 59.5064 -2.08297 -0.614252 -2.08296 -39.3066 -33.5335 -0.614369 -33.5334 -5.3431 GPRESSAVG: 4523600 58.1081 -3.1117 -2.48674 -1.88224 -39.7749 -34.9908 -0.24294 -32.1242 -3.18667 TIMING: 4523600 CPU: 13433.3, 0.00294764/step Wall: 13433.3, 0.00294764/step, 0.39007 hours remaining, 209.578125 MB of memory in use. ENERGY: 4523600 727.5712 2114.4383 1923.3027 122.8667 -206182.0328 17804.8155 0.0000 0.0000 34262.9796 -149226.0587 299.2271 -183489.0383 -149131.0406 299.2618 -70.7838 -32.1217 557680.7499 4.9523 5.0488 PRESSURE: 4523800 92.8591 48.2329 -53.9427 48.2339 -38.1726 6.31974 -53.9431 6.31852 150.997 GPRESSURE: 4523800 104.62 65.4611 -26.5555 47.6829 -3.7493 -27.3896 -85.349 -17.1638 198.74 PRESSAVG: 4523800 11.6882 -18.0521 -16.9488 -18.0521 1.49736 -19.7529 -16.9489 -19.7529 -20.7401 GPRESSAVG: 4523800 11.6389 -13.5357 -17.7195 -18.6782 1.65879 -20.0922 -16.3566 -21.6935 -20.8822 TIMING: 4523800 CPU: 13433.9, 0.00295191/step Wall: 13433.9, 0.00295191/step, 0.390471 hours remaining, 209.636719 MB of memory in use. ENERGY: 4523800 727.7046 2111.8939 1936.1855 105.5930 -206134.3887 17930.9613 0.0000 0.0000 34260.8362 -149061.2142 299.2084 -183322.0504 -148965.0287 299.4366 68.5611 99.8702 556621.0720 -2.5182 -2.5282 PRESSURE: 4524000 -101.331 -103.545 75.8993 -103.545 1.09072 138.923 75.8994 138.923 45.6232 GPRESSURE: 4524000 0.384644 38.8159 62.0646 -105.199 -22.3879 172.557 32.099 167.066 71.5661 PRESSAVG: 4524000 -24.4158 -35.2967 32.8635 -35.2968 -17.2557 3.64463 32.8635 3.64458 39.3314 GPRESSAVG: 4524000 -22.9265 -38.2465 34.8534 -34.0196 -17.3343 5.3988 30.3804 5.31478 38.1467 TIMING: 4524000 CPU: 13434.5, 0.00294874/step Wall: 13434.5, 0.00294874/step, 0.389889 hours remaining, 209.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4524000 745.9980 2056.7543 1948.9614 127.3055 -205659.6078 17556.4581 0.0000 0.0000 34355.6408 -148868.4898 300.0364 -183224.1305 -148779.4895 300.7731 -18.2056 16.5209 558430.9971 -0.7800 -0.7047 PRESSURE: 4524200 47.669 81.1673 -80.411 81.1653 -35.2758 94.309 -80.4113 94.3088 -480.795 GPRESSURE: 4524200 77.099 21.481 -38.1606 130.856 23.2916 101.44 -161.359 76.6564 -455.318 PRESSAVG: 4524200 26.5936 20.1325 1.58825 20.1326 30.9701 36.6682 1.58826 36.6683 -47.1153 GPRESSAVG: 4524200 25.0543 20.7816 -1.42975 18.8526 33.4911 36.2305 3.56155 35.2815 -47.5471 TIMING: 4524200 CPU: 13435.1, 0.0029376/step Wall: 13435.1, 0.0029376/step, 0.388252 hours remaining, 209.636719 MB of memory in use. ENERGY: 4524200 741.6910 2066.8434 1919.7202 109.2892 -205957.9079 17578.6243 0.0000 0.0000 34452.6363 -149089.1036 300.8834 -183541.7399 -148994.1088 299.8073 -156.1340 -118.3090 557570.1903 3.4828 3.6661 LDB: ============= START OF LOAD BALANCING ============== 13438.6 LDB: ============== END OF LOAD BALANCING =============== 13438.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13438.6 LDB: ============= START OF LOAD BALANCING ============== 13438.9 LDB: Largest compute 4801 load 0.021526 is 18.2% of average load 0.118298 LDB: Average compute 0.001732 is 1.5% of average load 0.118298 LDB: TIME 13438.9 LOAD: AVG 0.118298 MAX 0.196951 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.062 MB LDB: TIME 13438.9 LOAD: AVG 0.118298 MAX 0.196951 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: TIME 13438.9 LOAD: AVG 0.118298 MAX 0.196951 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: ============== END OF LOAD BALANCING =============== 13438.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13438.9 PRESSURE: 4524400 -85.531 -24.6509 59.7514 -24.6511 234.97 31.7266 59.7507 31.7268 -87.781 GPRESSURE: 4524400 -7.36898 -16.4165 103.049 -39.5604 230.291 20.3227 43.5662 118.681 -62.1658 PRESSAVG: 4524400 43.7886 13.1651 12.9212 13.1651 31.551 27.9103 12.9212 27.9101 -49.4195 GPRESSAVG: 4524400 44.4903 9.76254 14.6491 14.1076 29.5827 27.2496 11.6443 27.4066 -48.56 TIMING: 4524400 CPU: 13435.7, 0.00299006/step Wall: 13435.7, 0.00299006/step, 0.39502 hours remaining, 209.707031 MB of memory in use. ENERGY: 4524400 762.1653 2081.9602 1919.1157 111.6919 -205990.6896 17710.2316 0.0000 0.0000 34391.9597 -149013.5652 300.3535 -183405.5249 -148918.7379 300.0854 20.5528 53.5854 557456.1024 8.6401 8.5044 PRESSURE: 4524600 249.434 -86.1249 9.54272 -86.1261 125.701 35.8165 9.54209 35.8157 114.777 GPRESSURE: 4524600 310.226 -178.59 24.0768 -12.3926 138.123 69.2393 4.18213 91.9972 138.807 PRESSAVG: 4524600 -46.5138 -5.88375 -30.5986 -5.88373 60.5613 8.95566 -30.5987 8.95571 -19.1351 GPRESSAVG: 4524600 -46.5106 -2.39968 -30.0563 -5.30535 60.1523 8.08965 -29.0402 10.492 -18.9628 TIMING: 4524600 CPU: 13436.3, 0.00295097/step Wall: 13436.3, 0.00295097/step, 0.389692 hours remaining, 209.777344 MB of memory in use. ENERGY: 4524600 742.6396 2040.4677 1915.6358 122.8724 -206225.2709 18039.8227 0.0000 0.0000 34246.5883 -149117.2443 299.0840 -183363.8326 -149012.1714 299.8023 163.3039 195.7186 555808.7643 -1.6959 -1.7737 PRESSURE: 4524800 -348.73 254.192 181.426 254.193 -119.754 -156.913 181.425 -156.913 -288.983 GPRESSURE: 4524800 -328.149 228.564 149.742 246.836 -91.4163 -114.959 193.212 -220.417 -247.725 PRESSAVG: 4524800 -41.5189 30.5783 -29.2134 30.5782 67.0832 -62.6126 -29.2134 -62.6125 -12.2106 GPRESSAVG: 4524800 -40.5988 29.847 -27.5774 30.0557 67.1542 -59.9967 -31.2939 -64.4493 -12.8992 TIMING: 4524800 CPU: 13436.8, 0.00291862/step Wall: 13436.8, 0.00291862/step, 0.385257 hours remaining, 209.777344 MB of memory in use. ENERGY: 4524800 770.2905 2036.3488 1917.2284 118.4918 -205535.0692 17298.3834 0.0000 0.0000 34094.3981 -149299.9282 297.7549 -183394.3264 -149203.5836 299.5355 -252.4889 -222.4298 558155.1320 4.4512 4.5521 PRESSURE: 4525000 -207.181 -120.411 -65.8577 -120.413 -237.155 -273.698 -65.8577 -273.699 129.952 GPRESSURE: 4525000 -159.394 -106.865 -117.365 -151.889 -189.818 -290.417 -66.6414 -252.523 130.014 PRESSAVG: 4525000 38.8188 42.6484 -5.3889 42.6483 -56.5138 -27.5364 -5.38888 -27.5364 21.3917 GPRESSAVG: 4525000 38.5423 42.8362 -4.96078 41.9907 -56.1565 -31.0425 -7.14082 -26.7814 21.5228 TIMING: 4525000 CPU: 13437.4, 0.00290948/step Wall: 13437.4, 0.00290948/step, 0.38389 hours remaining, 210.042969 MB of memory in use. ENERGY: 4525000 737.3436 2082.4261 1936.8290 110.4093 -206094.6924 17796.2173 0.0000 0.0000 34203.2054 -149228.2618 298.7051 -183431.4671 -149135.5037 299.6207 -104.7949 -73.0660 556332.5444 1.2322 1.3029 PRESSURE: 4525200 -216.132 172.622 101.459 172.623 -142.743 -122.735 101.459 -122.734 53.2157 GPRESSURE: 4525200 -158.079 170.377 97.8286 196.64 -171.321 -71.0169 129.058 -128.071 131.579 PRESSAVG: 4525200 -6.80326 42.9385 34.6902 42.9385 -69.0884 -28.6206 34.6903 -28.6207 74.9054 GPRESSAVG: 4525200 -6.64621 41.5963 30.8948 44.6052 -68.9377 -24.8605 38.8142 -28.1825 74.2 TIMING: 4525200 CPU: 13438, 0.00292868/step Wall: 13438, 0.00292868/step, 0.38626 hours remaining, 210.042969 MB of memory in use. ENERGY: 4525200 739.4124 2083.8863 1941.9325 103.6475 -205830.9802 17434.0414 0.0000 0.0000 34181.6823 -149346.3779 298.5171 -183528.0602 -149256.4944 299.2151 -101.8864 -65.9403 556408.3619 -0.3287 -0.4613 PRESSURE: 4525400 -179.384 -84.432 -27.7388 -84.4322 -255.533 63.042 -27.7397 63.0421 -284.966 GPRESSURE: 4525400 -102.343 -60.4914 -6.70467 -29.5493 -197.281 48.3006 -9.61247 -8.98104 -320.482 PRESSAVG: 4525400 -11.139 31.9989 26.5534 31.999 -60.9508 -8.98383 26.5534 -8.98368 20.9544 GPRESSAVG: 4525400 -9.87961 33.9151 29.8401 30.3997 -61.5976 -11.1134 23.4252 -8.94341 20.677 TIMING: 4525400 CPU: 13438.6, 0.00293233/step Wall: 13438.6, 0.00293233/step, 0.386579 hours remaining, 210.042969 MB of memory in use. ENERGY: 4525400 753.5715 2078.5073 1906.9982 105.7490 -206151.2380 17586.4075 0.0000 0.0000 34436.9450 -149283.0595 300.7464 -183720.0046 -149186.0730 299.3614 -239.9614 -206.7019 559671.2945 -17.0452 -16.9334 PRESSURE: 4525600 -271.365 116.22 5.01246 116.219 -225.764 85.325 5.01214 85.3244 -103.354 GPRESSURE: 4525600 -254.842 92.1338 32.3142 76.5006 -226.258 134.887 0.406932 102.088 -35.8311 PRESSAVG: 4525600 -0.0147604 -34.6424 21.7792 -34.6423 -15.4723 -15.9906 21.7792 -15.9905 -25.6611 GPRESSAVG: 4525600 -1.59119 -34.8753 20.7948 -33.5452 -14.92 -16.8982 23.3434 -16.621 -24.7917 TIMING: 4525600 CPU: 13439.2, 0.00292169/step Wall: 13439.2, 0.00292169/step, 0.385014 hours remaining, 210.042969 MB of memory in use. ENERGY: 4525600 771.8772 2105.8769 1938.1328 122.5624 -205926.0704 17456.4150 0.0000 0.0000 34131.1542 -149400.0518 298.0759 -183531.2060 -149311.5378 298.6864 -200.1611 -172.3105 558628.7195 -13.7160 -13.7676 PRESSURE: 4525800 -208.764 -12.2196 -125.899 -12.2187 -50.8457 144.887 -125.899 144.886 -169.936 GPRESSURE: 4525800 -167.232 14.8462 -83.9801 -10.6425 -15.7838 132.178 -107.24 161.236 -152.077 PRESSAVG: 4525800 42.9312 13.5686 -47.04 13.5686 -12.1238 10.5349 -47.0399 10.5348 -40.5861 GPRESSAVG: 4525800 42.4316 13.8823 -48.7451 11.3905 -12.1886 11.3824 -45.7161 9.94513 -40.0845 TIMING: 4525800 CPU: 13439.8, 0.00294156/step Wall: 13439.8, 0.00294156/step, 0.387469 hours remaining, 210.042969 MB of memory in use. ENERGY: 4525800 764.9301 2127.9700 1955.6773 108.9615 -206135.5033 17758.3140 0.0000 0.0000 34217.7840 -149201.8665 298.8324 -183419.6505 -149103.1655 298.7822 -143.1819 -111.6975 559787.8890 -3.2596 -3.2805 PRESSURE: 4526000 66.4483 124.599 -176.118 124.599 -124.528 49.8611 -176.118 49.8617 -75.6881 GPRESSURE: 4526000 103.495 81.5314 -154.432 82.8833 -87.9276 51.3726 -218.067 -32.483 -38.5288 PRESSAVG: 4526000 12.8028 122.261 3.40173 122.261 42.242 -40.0904 3.40175 -40.0904 -27.0787 GPRESSAVG: 4526000 13.4818 123.963 5.55624 124.702 41.8957 -40.4519 0.832608 -39.4952 -26.6739 TIMING: 4526000 CPU: 13440.4, 0.00294588/step Wall: 13440.4, 0.00294588/step, 0.387874 hours remaining, 210.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4526000 742.8453 2075.0736 1942.1973 114.9387 -206333.3771 18002.1534 0.0000 0.0000 34358.9441 -149097.2248 300.0652 -183456.1689 -148996.4729 299.5157 -44.5893 -7.6537 559890.4187 9.3220 9.5679 PRESSURE: 4526200 -84.9037 167.545 92.9427 167.545 -77.8478 -224.664 92.9432 -224.664 -166.16 GPRESSURE: 4526200 -49.8956 55.8451 128.423 221.665 -57.298 -231.738 51.11 -171.258 -129.453 PRESSAVG: 4526200 -38.5504 21.8616 31.3477 21.8616 -43.1274 -2.31871 31.3476 -2.31877 101.443 GPRESSAVG: 4526200 -38.6515 19.5206 31.2183 20.7259 -41.2106 -2.32437 34.5721 -1.86918 99.6741 TIMING: 4526200 CPU: 13440.9, 0.00292977/step Wall: 13440.9, 0.00292977/step, 0.38559 hours remaining, 210.042969 MB of memory in use. ENERGY: 4526200 757.5515 2097.9207 1921.7987 127.8144 -206384.8992 17813.1606 0.0000 0.0000 34404.1006 -149262.5528 300.4596 -183666.6534 -149160.9814 299.6858 -109.6373 -78.8822 557888.1191 6.5885 6.6040 PRESSURE: 4526400 30.065 -6.37751 69.7742 -6.37583 -141.595 41.1036 69.7745 41.1032 -207.788 GPRESSURE: 4526400 49.6479 -53.3639 -58.5561 29.1138 -114.445 96.5319 181.818 16.0755 -169.248 PRESSAVG: 4526400 -0.847421 -5.56052 -21.9723 -5.56048 -4.34968 4.58901 -21.9724 4.58899 4.05726 GPRESSAVG: 4526400 -0.179397 -5.73945 -23.8009 -4.50789 -6.16116 5.42913 -23.6893 5.14549 5.56341 TIMING: 4526400 CPU: 13441.5, 0.0029583/step Wall: 13441.5, 0.0029583/step, 0.389181 hours remaining, 210.042969 MB of memory in use. ENERGY: 4526400 753.2275 2072.0041 1919.9281 117.1948 -205958.8185 17698.7534 0.0000 0.0000 34189.5301 -149208.1805 298.5857 -183397.7106 -149104.5533 299.5013 -106.4394 -78.0149 557648.8005 -0.3799 -0.2591 PRESSURE: 4526600 -48.0887 -200.488 149.159 -200.487 47.231 -17.4508 149.16 -17.4507 -212.28 GPRESSURE: 4526600 -20.1263 -262.088 132.706 -208.143 45.8559 11.4677 61.5177 28.8298 -132.401 PRESSAVG: 4526600 -37.6226 27.4817 -42.3216 27.4818 11.0711 -6.64506 -42.3215 -6.6451 23.7714 GPRESSAVG: 4526600 -38.5155 27.1716 -41.965 28.2826 11.3258 -7.63961 -44.5861 -6.06528 23.8289 TIMING: 4526600 CPU: 13442.1, 0.00293047/step Wall: 13442.1, 0.00293047/step, 0.385356 hours remaining, 210.042969 MB of memory in use. ENERGY: 4526600 785.5957 2110.1163 1894.8606 142.3094 -206138.6225 17702.6486 0.0000 0.0000 34341.1835 -149161.9086 299.9101 -183503.0920 -149061.9605 299.9717 -71.0460 -35.5572 556947.5332 -0.9267 -1.1203 PRESSURE: 4526800 -14.119 18.5427 42.9873 18.5419 36.8177 -149.435 42.9872 -149.434 198.292 GPRESSURE: 4526800 -49.1726 -50.6623 72.6648 95.8415 104.599 -261.685 65.0784 -160.058 268.576 PRESSAVG: 4526800 -43.1847 36.9903 15.9504 36.9904 32.7222 -26.4734 15.9505 -26.4734 -13.7902 GPRESSAVG: 4526800 -43.011 37.7041 15.2961 36.4519 32.8894 -28.5382 18.204 -26.7959 -15.0448 TIMING: 4526800 CPU: 13442.7, 0.0029244/step Wall: 13442.7, 0.00292439/step, 0.384395 hours remaining, 210.042969 MB of memory in use. ENERGY: 4526800 737.3499 2136.6991 1906.0078 118.5728 -206450.2499 17771.0915 0.0000 0.0000 34452.5427 -149327.9861 300.8826 -183780.5288 -149235.2302 299.2216 73.6636 108.0010 556588.2212 -8.0842 -8.3888 PRESSURE: 4527000 -35.3805 67.3363 13.452 67.3351 120.565 140.094 13.4513 140.094 -73.8101 GPRESSURE: 4527000 1.46817 107.705 66.3998 28.5612 176.653 81.2973 -8.70101 177.261 -63.7154 PRESSAVG: 4527000 -10.0574 5.44239 55.0803 5.44239 -2.93564 2.58354 55.0804 2.5836 18.2724 GPRESSAVG: 4527000 -10.3326 2.8966 54.822 6.16047 -3.58299 3.83853 54.412 1.61255 18.646 TIMING: 4527000 CPU: 13443.3, 0.00292849/step Wall: 13443.3, 0.00292849/step, 0.384772 hours remaining, 210.042969 MB of memory in use. ENERGY: 4527000 716.9857 2047.1923 1948.5667 115.1748 -206551.4739 17745.1610 0.0000 0.0000 34462.1737 -149516.2197 300.9667 -183978.3934 -149420.2770 298.9499 3.7915 38.1351 555563.9272 1.7598 1.5768 PRESSURE: 4527200 -102.19 -9.23883 87.2495 -9.23866 19.9266 -61.0637 87.2502 -61.0637 -317.165 GPRESSURE: 4527200 -55.3956 -33.0509 9.16083 -79.6273 56.322 -115.202 172.079 -7.25529 -308.028 PRESSAVG: 4527200 -28.4337 26.9909 -20.5183 26.991 25.9816 -13.9231 -20.5182 -13.9232 -18.513 GPRESSAVG: 4527200 -28.69 29.2698 -17.7722 25.9542 26.774 -13.6867 -20.3277 -12.8599 -18.2759 TIMING: 4527200 CPU: 13443.9, 0.00290846/step Wall: 13443.9, 0.00290846/step, 0.381978 hours remaining, 210.042969 MB of memory in use. ENERGY: 4527200 762.6414 2076.3659 1943.2410 119.4666 -206207.3807 17585.9256 0.0000 0.0000 34183.2592 -149536.4810 298.5309 -183719.7402 -149442.8598 298.2956 -133.1427 -102.3674 555787.7520 -6.9884 -6.7307 PRESSURE: 4527400 -336.437 42.8107 -58.3092 42.8104 -210.098 -113.838 -58.3089 -113.837 -211.914 GPRESSURE: 4527400 -340.019 62.8088 -23.3991 42.5845 -164.507 -38.197 -28.1971 -102.598 -141.908 PRESSAVG: 4527400 -7.15427 12.4952 -40.174 12.4951 -42.7051 -78.5454 -40.1739 -78.5453 0.163577 GPRESSAVG: 4527400 -7.98475 15.0819 -41.7503 11.4721 -42.8233 -77.6142 -41.0134 -78.5821 0.60327 TIMING: 4527400 CPU: 13444.5, 0.00289896/step Wall: 13444.5, 0.00289896/step, 0.380569 hours remaining, 210.042969 MB of memory in use. ENERGY: 4527400 738.1105 2099.0569 1922.7344 115.2218 -206144.7240 17450.0454 0.0000 0.0000 34302.1931 -149517.3620 299.5696 -183819.5551 -149422.8758 298.1073 -252.8165 -215.4780 557704.2898 -16.5653 -16.7349 PRESSURE: 4527600 -48.556 58.2339 -39.7132 58.2337 -85.4053 15.8836 -39.7132 15.8831 -62.8749 GPRESSURE: 4527600 -14.5071 20.6063 -97.8814 131.277 -103.728 0.928102 37.9752 68.2953 14.0118 PRESSAVG: 4527600 -31.8936 13.4457 -36.8636 13.4457 -2.95245 -39.662 -36.8636 -39.662 5.73987 GPRESSAVG: 4527600 -30.5422 11.4458 -37.277 12.541 -3.17325 -38.7044 -34.8424 -41.426 4.94319 TIMING: 4527600 CPU: 13445, 0.00291128/step Wall: 13445, 0.00291128/step, 0.382024 hours remaining, 210.042969 MB of memory in use. ENERGY: 4527600 725.9602 2120.4578 1929.0224 110.3928 -206284.8717 17682.7169 0.0000 0.0000 34357.3821 -149358.9396 300.0516 -183716.3217 -149263.8818 298.2983 -65.6121 -34.7412 556761.5597 -9.7021 -9.5908 PRESSURE: 4527800 -328.965 -51.6376 58.784 -51.6377 -74.6927 13.5617 58.7846 13.5628 -71.2548 GPRESSURE: 4527800 -252.899 -84.3974 41.1262 -39.9485 -77.5074 50.5879 83.4046 -11.763 -53.4526 PRESSAVG: 4527800 7.189 53.7965 -23.6868 53.7963 -32.273 27.3317 -23.6868 27.3318 36.969 GPRESSAVG: 4527800 6.90498 53.8991 -21.3432 54.5288 -32.0869 27.2924 -26.118 28.2504 37.3743 TIMING: 4527800 CPU: 13445.6, 0.00291205/step Wall: 13445.6, 0.00291205/step, 0.381964 hours remaining, 210.042969 MB of memory in use. ENERGY: 4527800 753.9661 2099.7845 1920.9398 127.2629 -206314.5577 17637.7163 0.0000 0.0000 34361.1761 -149413.7119 300.0847 -183774.8880 -149320.8327 298.8435 -158.3042 -127.9529 557121.8357 3.9617 4.0641 PRESSURE: 4528000 -142.893 -23.2751 168.178 -23.2748 234.678 -106.887 168.178 -106.886 34.1928 GPRESSURE: 4528000 -121.057 -89.2659 121.342 -4.41531 271.408 -89.7846 167.755 -123.425 90.0671 PRESSAVG: 4528000 -114.897 0.591163 -21.4915 0.591165 107.577 47.6114 -21.4915 47.6115 11.9772 GPRESSAVG: 4528000 -114.606 0.310655 -23.0101 2.46065 107.424 46.8547 -19.9291 46.4069 12.6906 TIMING: 4528000 CPU: 13446.2, 0.00294477/step Wall: 13446.2, 0.00294477/step, 0.386092 hours remaining, 210.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4528000 703.1763 2069.5872 1945.0543 123.7695 -206140.9868 17691.6175 0.0000 0.0000 34121.8332 -149485.9488 297.9945 -183607.7820 -149395.1187 298.8050 41.9926 80.1393 557336.2064 1.5525 1.8364 PRESSURE: 4528200 -89.8036 -91.1668 -108.389 -91.1663 169.372 -101.395 -108.388 -101.396 -122.814 GPRESSURE: 4528200 -9.9542 -133.306 -115.392 -105.23 172.009 -104.99 -51.6145 -25.7917 -101.244 PRESSAVG: 4528200 -19.8444 25.6954 -43.4237 25.6954 69.6242 -25.3077 -43.4236 -25.3078 -5.43801 GPRESSAVG: 4528200 -19.7087 24.4357 -43.6892 25.4604 70.0663 -26.344 -44.9134 -22.3872 -6.02912 TIMING: 4528200 CPU: 13446.8, 0.00295138/step Wall: 13446.8, 0.00295138/step, 0.386795 hours remaining, 210.042969 MB of memory in use. ENERGY: 4528200 732.1719 2144.8530 1932.5474 111.3374 -206210.4431 17725.7800 0.0000 0.0000 34279.8532 -149283.9002 299.3745 -183563.7534 -149187.7045 298.4646 -14.4151 20.2705 558652.6849 14.7806 14.7762 LDB: ============= START OF LOAD BALANCING ============== 13450.3 LDB: ============== END OF LOAD BALANCING =============== 13450.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13450.4 LDB: ============= START OF LOAD BALANCING ============== 13450.6 LDB: Largest compute 4801 load 0.021251 is 18.0% of average load 0.118196 LDB: Average compute 0.001737 is 1.5% of average load 0.118196 LDB: TIME 13450.6 LOAD: AVG 0.118196 MAX 0.197738 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.551 MB LDB: TIME 13450.6 LOAD: AVG 0.118196 MAX 0.197738 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.551 MB LDB: TIME 13450.6 LOAD: AVG 0.118196 MAX 0.197738 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.551 MB LDB: ============== END OF LOAD BALANCING =============== 13450.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13450.7 PRESSURE: 4528400 -21.8932 -3.7905 -86.1231 -3.78981 -41.2331 124.04 -86.1232 124.039 -146.062 GPRESSURE: 4528400 -31.4509 16.7101 -46.838 38.1338 -35.5504 84.9151 -85.5542 106.009 -56.3886 PRESSAVG: 4528400 18.2254 -17.8388 -50.9754 -17.8388 20.7107 31.0488 -50.9754 31.0487 -42.9595 GPRESSAVG: 4528400 16.7247 -15.6187 -50.1671 -17.8324 20.6594 31.491 -50.5022 30.2771 -41.3629 TIMING: 4528400 CPU: 13447.4, 0.00300888/step Wall: 13447.4, 0.00300888/step, 0.394163 hours remaining, 210.398438 MB of memory in use. ENERGY: 4528400 760.0280 2064.1396 1928.5509 121.6237 -206189.1122 17874.3561 0.0000 0.0000 34099.1306 -149341.2834 297.7962 -183440.4140 -149252.4886 299.0315 -69.7294 -41.1300 558411.8104 -1.3411 -1.3263 PRESSURE: 4528600 155.473 -157.002 52.904 -157.002 88.0875 -103.516 52.9055 -103.516 331.865 GPRESSURE: 4528600 154.409 -125.348 8.97845 -183.504 200.63 -114.318 35.267 -25.4969 313.594 PRESSAVG: 4528600 -31.2757 -66.0646 -21.1331 -66.0646 30.759 -23.0047 -21.133 -23.0046 -12.1582 GPRESSAVG: 4528600 -30.7699 -67.2115 -21.071 -67.0603 31.148 -22.6527 -19.4269 -23.0219 -13.0055 TIMING: 4528600 CPU: 13448, 0.00295972/step Wall: 13448, 0.00295972/step, 0.387559 hours remaining, 210.601562 MB of memory in use. ENERGY: 4528600 718.3943 2046.8779 1957.0333 105.0311 -206859.6535 18253.0229 0.0000 0.0000 34339.0762 -149440.2178 299.8917 -183779.2940 -149340.1933 299.0900 191.8084 222.8776 556911.8710 -4.2250 -4.2092 PRESSURE: 4528800 -196.681 -80.9801 31.9852 -80.9811 -62.8815 120.288 31.9855 120.289 -339.762 GPRESSURE: 4528800 -217.977 -80.0742 72.1616 -29.9762 -14.0973 14.0093 -72.5671 139.207 -274.624 PRESSAVG: 4528800 5.00348 -41.6101 -23.8877 -41.6102 39.0274 -25.261 -23.8877 -25.2609 -20.7743 GPRESSAVG: 4528800 5.69126 -43.2789 -24.9743 -39.1905 38.4146 -25.3002 -24.2275 -25.0225 -20.7364 TIMING: 4528800 CPU: 13448.6, 0.00295699/step Wall: 13448.6, 0.00295699/step, 0.387037 hours remaining, 210.859375 MB of memory in use. ENERGY: 4528800 743.5139 2114.6297 1893.7179 106.7846 -206336.5637 17642.4594 0.0000 0.0000 34134.8384 -149700.6199 298.1080 -183835.4583 -149613.9260 298.9811 -199.7746 -168.8994 556678.0560 7.7522 7.7898 PRESSURE: 4529000 -229.54 68.4751 97.966 68.474 -86.4759 -1.39092 97.9653 -1.39243 -48.1872 GPRESSURE: 4529000 -180.205 40.0651 70.4083 2.74084 -43.5172 10.0333 136.682 16.9322 -46.1287 PRESSAVG: 4529000 -38.248 12.6377 -3.86811 12.6378 6.24554 12.1675 -3.86811 12.1676 45.205 GPRESSAVG: 4529000 -36.8465 15.0547 -2.27431 11.7323 7.04524 10.8123 -3.64233 11.3534 43.3087 TIMING: 4529000 CPU: 13449.2, 0.00293993/step Wall: 13449.2, 0.00293993/step, 0.38464 hours remaining, 210.859375 MB of memory in use. ENERGY: 4529000 700.0034 2083.5501 1896.4815 116.9938 -206270.0018 17752.0435 0.0000 0.0000 34243.2190 -149477.7105 299.0545 -183720.9295 -149379.2413 298.6574 -121.4009 -89.9503 557630.8525 4.4009 4.5025 PRESSURE: 4529200 -376.245 -29.4867 99.3323 -29.4855 -340.98 70.0331 99.333 70.0346 39.2078 GPRESSURE: 4529200 -286.378 -109.682 109.743 -50.229 -347.126 112.953 207.793 68.9665 47.135 PRESSAVG: 4529200 -59.0947 -27.224 77.2801 -27.2241 39.9266 -23.7641 77.2801 -23.764 -0.597257 GPRESSAVG: 4529200 -59.7793 -24.6333 75.3558 -29.7338 38.7476 -21.3766 76.9354 -23.8863 1.32723 TIMING: 4529200 CPU: 13449.8, 0.00296081/step Wall: 13449.8, 0.00296081/step, 0.387208 hours remaining, 210.859375 MB of memory in use. ENERGY: 4529200 747.2507 2076.2918 1932.3906 109.0696 -206134.3394 17555.0595 0.0000 0.0000 34243.6004 -149470.6768 299.0579 -183714.2772 -149376.3830 299.2117 -226.0056 -195.4565 555920.5773 -6.5885 -6.5682 PRESSURE: 4529400 251.004 57.7924 7.66501 57.7942 99.9053 -182.969 7.66643 -182.969 23.2197 GPRESSURE: 4529400 259.083 61.3147 -26.0195 145.259 163.513 -100.848 90.2993 -119.301 58.8263 PRESSAVG: 4529400 -77.399 -6.15644 44.8831 -6.15644 0.0360144 -9.29059 44.8832 -9.2905 55.02 GPRESSAVG: 4529400 -77.2881 -8.59749 44.2388 -5.91065 0.542308 -10.6311 43.701 -7.78535 54.0961 TIMING: 4529400 CPU: 13450.4, 0.00295553/step Wall: 13450.4, 0.00295553/step, 0.386354 hours remaining, 210.859375 MB of memory in use. ENERGY: 4529400 765.9928 2117.8763 1901.3357 107.6652 -206441.2516 17842.5709 0.0000 0.0000 34285.2565 -149420.5542 299.4217 -183705.8108 -149330.6538 299.5159 124.7096 160.4742 555667.6041 -7.4477 -7.5499 PRESSURE: 4529600 20.5493 7.61473 -4.37822 7.61417 15.3989 45.9243 -4.37826 45.9237 -45.3969 GPRESSURE: 4529600 26.2582 -69.5032 49.2562 52.7756 36.7302 16.0055 -37.6718 -3.82219 19.6467 PRESSAVG: 4529600 24.6656 37.6142 -1.34009 37.6142 21.7751 -24.9777 -1.34012 -24.9778 -10.8142 GPRESSAVG: 4529600 24.3766 39.1398 -0.889096 38.4229 21.651 -22.6175 -0.0178976 -27.2752 -10.3008 TIMING: 4529600 CPU: 13450.9, 0.00293948/step Wall: 13450.9, 0.00293948/step, 0.384092 hours remaining, 210.859375 MB of memory in use. ENERGY: 4529600 731.8682 2113.1316 1931.9943 111.4030 -206192.5975 17707.3579 0.0000 0.0000 34157.4157 -149439.4269 298.3052 -183596.8426 -149354.9811 299.2265 -3.1496 27.5450 556559.8157 11.8755 11.9089 PRESSURE: 4529800 -189.578 128.231 103.924 128.232 -67.6067 51.3579 103.924 51.3563 -101.153 GPRESSURE: 4529800 -73.1986 64.1752 122.586 83.4764 -96.4577 59.2201 1.3879 104.848 -92.4659 PRESSAVG: 4529800 23.4161 49.851 7.43778 49.851 28.6831 -10.1778 7.43761 -10.1778 -17.3513 GPRESSAVG: 4529800 23.4079 49.1775 7.20513 48.7491 28.2963 -13.1129 6.56515 -9.66834 -17.0734 TIMING: 4529800 CPU: 13451.5, 0.0029411/step Wall: 13451.5, 0.0029411/step, 0.38414 hours remaining, 210.859375 MB of memory in use. ENERGY: 4529800 748.9804 2065.0717 1936.1339 115.2609 -205939.2236 17574.1908 0.0000 0.0000 34017.9894 -149481.5967 297.0876 -183499.5860 -149380.6688 298.4238 -119.4460 -87.3740 558308.7590 11.5827 11.5436 PRESSURE: 4530000 -62.226 -268.581 83.7373 -268.581 9.95834 -25.3495 83.7362 -25.3507 -141.864 GPRESSURE: 4530000 -36.7439 -258.682 84.8961 -152.704 27.0994 -40.8715 24.0264 6.82635 -89.5983 PRESSAVG: 4530000 10.7825 -8.84658 63.2806 -8.84664 26.325 20.6104 63.2805 20.6103 -31.1142 GPRESSAVG: 4530000 10.0247 -8.26593 64.3164 -7.09643 27.6467 20.6013 62.9947 21.7769 -31.6596 TIMING: 4530000 CPU: 13452.1, 0.00292755/step Wall: 13452.1, 0.00292755/step, 0.382207 hours remaining, 210.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4530000 775.6582 2087.7343 1912.6766 116.4848 -206150.0397 17674.3848 0.0000 0.0000 34162.7706 -149420.3304 298.3520 -183583.1010 -149326.7211 298.6952 -64.7105 -33.0809 557758.2762 1.9978 2.0039 PRESSURE: 4530200 145.54 133.416 213.773 133.415 90.0044 16.5566 213.773 16.5561 13.5496 GPRESSURE: 4530200 120.477 162.757 143.614 180.367 151.356 78.5989 225.774 13.1411 80.5251 PRESSAVG: 4530200 38.7533 -2.97513 -10.4007 -2.97513 -13.1398 22.4855 -10.4006 22.4855 -2.0666 GPRESSAVG: 4530200 40.1994 -3.04894 -10.1423 -3.61644 -13.8951 22.8628 -10.1648 21.9226 -2.6505 TIMING: 4530200 CPU: 13452.7, 0.00291525/step Wall: 13452.7, 0.00291525/step, 0.380441 hours remaining, 210.859375 MB of memory in use. ENERGY: 4530200 700.0322 2123.7892 1937.2505 108.9251 -206303.2920 17877.0209 0.0000 0.0000 34272.1139 -149284.1601 299.3069 -183556.2740 -149185.6737 298.7971 83.0314 117.4527 557046.0571 7.8490 7.8846 PRESSURE: 4530400 -289.888 -92.5587 128.579 -92.5587 -149.172 63.0031 128.579 63.0034 -158.853 GPRESSURE: 4530400 -294.699 -76.2935 135.014 -12.6968 -91.0761 143.383 110.15 98.7533 -107.312 PRESSAVG: 4530400 -17.8697 5.95866 72.5613 5.95875 31.8323 8.05939 72.5613 8.05935 7.08684 GPRESSAVG: 4530400 -18.9664 6.92177 72.2534 4.86352 32.4233 8.89281 73.668 7.88664 8.07356 TIMING: 4530400 CPU: 13453.3, 0.00291143/step Wall: 13453.3, 0.00291143/step, 0.37978 hours remaining, 210.859375 MB of memory in use. ENERGY: 4530400 746.1141 2123.6877 1921.6567 113.0302 -205911.7909 17430.6756 0.0000 0.0000 34288.5649 -149288.0617 299.4506 -183576.6266 -149189.0122 299.4020 -199.3047 -164.3625 557277.5524 7.0165 7.1768 PRESSURE: 4530600 -89.5858 13.2146 110.397 13.2136 72.0856 52.2197 110.396 52.2187 97.6968 GPRESSURE: 4530600 -73.8671 75.6507 147.176 62.2937 94.0551 60.7966 56.0278 10.7999 157.117 PRESSAVG: 4530600 -35.5901 5.46865 24.1551 5.46859 67.9318 49.0297 24.155 49.0296 -36.1602 GPRESSAVG: 4530600 -35.4505 4.2876 25.351 5.75024 67.85 49.8873 21.9592 47.4345 -35.8629 TIMING: 4530600 CPU: 13453.9, 0.0029096/step Wall: 13453.9, 0.0029096/step, 0.37938 hours remaining, 210.859375 MB of memory in use. ENERGY: 4530600 721.0249 2106.5914 1936.8018 101.6927 -205858.1417 17670.5201 0.0000 0.0000 34016.7494 -149304.7615 297.0767 -183321.5109 -149202.9515 298.9563 26.7322 59.1015 557214.6102 -1.2729 -1.1545 PRESSURE: 4530800 -262.775 84.2391 25.2859 84.2381 -270.309 -119.39 25.2868 -119.389 -238.534 GPRESSURE: 4530800 -254.014 54.6347 120.051 125.075 -229.891 -185.835 42.188 -101.38 -200.773 PRESSAVG: 4530800 -1.77684 -8.98167 80.1463 -8.98175 6.02057 25.5136 80.1462 25.5137 -15.5346 GPRESSAVG: 4530800 -1.29381 -7.55317 79.3461 -9.40648 5.43763 23.5345 82.0391 25.3673 -15.7312 TIMING: 4530800 CPU: 13454.4, 0.00290705/step Wall: 13454.4, 0.00290705/step, 0.378886 hours remaining, 210.859375 MB of memory in use. ENERGY: 4530800 750.6185 2091.8781 1939.2107 107.4135 -205807.6075 17435.2106 0.0000 0.0000 34122.2804 -149360.9957 297.9984 -183483.2761 -149266.7813 298.8312 -257.2059 -228.2260 558246.3849 -3.7636 -3.8625 PRESSURE: 4531000 -340.668 188.012 7.30445 188.011 -147.845 -4.41358 7.30473 -4.41527 -250.083 GPRESSURE: 4531000 -317.196 244.037 -103.025 183.602 -132.321 -11.34 -4.84413 3.02957 -195.886 PRESSAVG: 4531000 -11.9104 -8.54186 31.1958 -8.54192 1.72001 25.9676 31.1958 25.9676 19.6569 GPRESSAVG: 4531000 -12.1426 -9.16564 28.4437 -8.26336 1.84569 26.2978 31.4424 25.3149 19.7979 TIMING: 4531000 CPU: 13455, 0.00291129/step Wall: 13455, 0.0029113/step, 0.379277 hours remaining, 210.859375 MB of memory in use. ENERGY: 4531000 744.5423 2061.0053 1957.7767 96.8049 -205863.7928 17474.1245 0.0000 0.0000 34156.7119 -149372.8273 298.2991 -183529.5392 -149274.4428 298.3081 -246.1990 -215.1341 558027.0422 3.1555 3.1670 PRESSURE: 4531200 -196.518 36.7914 -71.3442 36.7905 -431.42 76.706 -71.3438 76.707 -77.1625 GPRESSURE: 4531200 -159.169 11.1561 -120.238 -27.943 -361.089 139.21 -11.9694 8.48851 -89.2633 PRESSAVG: 4531200 -26.2092 -27.5652 17.7926 -27.5653 -18.9958 70.6464 17.7926 70.6464 38.2277 GPRESSAVG: 4531200 -25.7924 -27.6115 21.4075 -27.5451 -19.4437 71.8052 18.1188 73.8546 38.1448 TIMING: 4531200 CPU: 13455.6, 0.00292581/step Wall: 13455.6, 0.00292581/step, 0.381005 hours remaining, 210.859375 MB of memory in use. ENERGY: 4531200 791.0326 2051.4011 1935.6654 110.3485 -205856.7173 17512.7824 0.0000 0.0000 34202.3642 -149253.1231 298.6978 -183455.4874 -149162.3893 298.5249 -235.0334 -203.1735 557786.2907 -2.3258 -2.3638 PRESSURE: 4531400 -109.712 -136.535 64.0918 -136.534 -17.3289 -36.1764 64.0936 -36.1754 -515.885 GPRESSURE: 4531400 -77.7785 -124.645 66.017 -216.086 -45.7501 -91.9307 43.5244 -17.8711 -420.175 PRESSAVG: 4531400 -5.49304 -26.6612 -12.041 -26.6612 -18.9309 27.7526 -12.041 27.7527 26.9847 GPRESSAVG: 4531400 -5.87999 -26.2764 -12.6274 -25.9784 -18.8843 27.7495 -12.4945 24.8894 27.8299 TIMING: 4531400 CPU: 13456.2, 0.00294597/step Wall: 13456.2, 0.00294597/step, 0.383467 hours remaining, 210.859375 MB of memory in use. ENERGY: 4531400 745.1595 2065.8572 1925.9549 115.1492 -206237.1370 17665.6966 0.0000 0.0000 34412.1226 -149307.1970 300.5296 -183719.3196 -149203.3883 299.1921 -214.3085 -181.2345 556932.6739 0.8536 1.0219 PRESSURE: 4531600 -275.425 -132.727 9.59243 -132.727 25.1911 49.0829 9.59164 49.0836 74.674 GPRESSURE: 4531600 -250.334 -45.7629 14.9653 -158.279 98.2851 -11.6859 -26.4706 76.3489 73.5938 PRESSAVG: 4531600 9.19863 -45.0183 57.2742 -45.0182 -21.4378 -32.6474 57.2741 -32.6474 -5.47939 GPRESSAVG: 4531600 9.36186 -45.95 58.1332 -45.6287 -20.425 -32.2728 55.9809 -32.0394 -6.92603 TIMING: 4531600 CPU: 13456.8, 0.00295485/step Wall: 13456.8, 0.00295485/step, 0.384458 hours remaining, 210.859375 MB of memory in use. ENERGY: 4531600 712.8454 2109.4537 1946.5700 115.3486 -206348.2490 17576.0219 0.0000 0.0000 34519.0296 -149368.9798 301.4633 -183888.0094 -149269.7218 299.6232 -58.5201 -26.1518 556414.5125 -5.9062 -5.9964 PRESSURE: 4531800 -151.696 3.2895 169.762 3.28891 -58.7209 58.1811 169.762 58.1827 -94.5956 GPRESSURE: 4531800 -137.986 76.4005 137.012 -78.1761 -20.5012 -3.63625 138.695 73.7615 -38.9894 PRESSAVG: 4531800 18.4089 -13.4607 16.0239 -13.4606 -45.6144 18.4444 16.0238 18.4444 -7.29844 GPRESSAVG: 4531800 19.2599 -14.1177 14.834 -14.1908 -46.0663 17.0973 18.5772 19.0761 -7.40611 TIMING: 4531800 CPU: 13457.4, 0.00293177/step Wall: 13457.4, 0.00293178/step, 0.381294 hours remaining, 210.859375 MB of memory in use. ENERGY: 4531800 730.4868 2131.9351 1951.1691 110.3305 -205817.0858 17432.3506 0.0000 0.0000 34237.9235 -149222.8903 299.0083 -183460.8138 -149123.3136 299.2795 -101.6707 -65.8256 556184.1048 -11.5013 -11.4042 PRESSURE: 4532000 121.669 -81.6034 48.0814 -81.603 -138.873 -90.8287 48.0827 -90.8269 159.436 GPRESSURE: 4532000 110.958 -45.6167 39.2627 -154.482 -11.8843 -18.8378 10.3148 -102.542 134.795 PRESSAVG: 4532000 1.68147 -14.2828 -14.3984 -14.2828 -7.83358 -3.45464 -14.3983 -3.45466 15.299 GPRESSAVG: 4532000 0.66498 -13.4316 -12.772 -13.4304 -7.50131 -2.88293 -15.2372 -3.4797 15.8646 TIMING: 4532000 CPU: 13458, 0.00292138/step Wall: 13458, 0.00292138/step, 0.37978 hours remaining, 210.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4532000 735.3021 2114.7958 1936.1063 114.3835 -206252.4814 17769.8439 0.0000 0.0000 34377.7649 -149204.2849 300.2296 -183582.0499 -149102.2004 299.7296 47.4108 77.9562 556128.9252 3.0489 3.0094 PRESSURE: 4532200 -187.615 -209.899 29.5414 -209.898 -54.6655 -81.3119 29.541 -81.3126 -59.6278 GPRESSURE: 4532200 -142.461 -257.715 -3.51246 -168.571 -58.8913 -43.3066 87.5354 -29.6022 -12.0356 PRESSAVG: 4532200 27.062 -3.07785 28.0792 -3.07775 -59.6437 12.384 28.0793 12.384 9.62072 GPRESSAVG: 4532200 28.143 -3.04299 26.7524 -2.59645 -60.6033 12.0799 27.0255 14.395 9.44785 TIMING: 4532200 CPU: 13458.6, 0.00293224/step Wall: 13458.6, 0.00293224/step, 0.381028 hours remaining, 210.859375 MB of memory in use. ENERGY: 4532200 778.0689 2130.7656 1948.8372 100.3005 -205812.1667 17609.2656 0.0000 0.0000 34206.9348 -149037.9941 298.7377 -183244.9289 -148944.2743 299.8705 -100.6360 -71.1293 558122.3631 -7.6537 -7.6708 LDB: ============= START OF LOAD BALANCING ============== 13462.1 LDB: ============== END OF LOAD BALANCING =============== 13462.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13462.1 LDB: ============= START OF LOAD BALANCING ============== 13462.4 LDB: Largest compute 4801 load 0.021415 is 18.1% of average load 0.118247 LDB: Average compute 0.001738 is 1.5% of average load 0.118247 LDB: TIME 13462.4 LOAD: AVG 0.118247 MAX 0.19695 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.113 MB LDB: TIME 13462.4 LOAD: AVG 0.118247 MAX 0.19695 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.113 MB LDB: TIME 13462.4 LOAD: AVG 0.118247 MAX 0.19695 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.113 MB LDB: ============== END OF LOAD BALANCING =============== 13462.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13462.4 PRESSURE: 4532400 -25.3353 -45.9001 34.0736 -45.9004 -20.4135 -18.5009 34.0741 -18.4996 -398.783 GPRESSURE: 4532400 16.1522 -12.8432 34.8943 -115.258 5.02263 13.5914 -37.7067 -51.8434 -368.816 PRESSAVG: 4532400 68.9184 -64.8186 40.036 -64.8186 -79.8718 -28.0643 40.0361 -28.0643 -12.2305 GPRESSAVG: 4532400 67.6074 -65.7422 40.9007 -66.5165 -79.1675 -29.5431 39.2661 -28.5822 -11.0423 TIMING: 4532400 CPU: 13459.2, 0.00300171/step Wall: 13459.2, 0.00300171/step, 0.389889 hours remaining, 208.542969 MB of memory in use. ENERGY: 4532400 734.5972 2100.8810 1953.2775 125.9859 -205710.5907 17459.2818 0.0000 0.0000 34128.3485 -149208.2188 298.0514 -183336.5673 -149110.4762 299.6741 -148.1773 -115.8804 557505.6318 -7.7280 -7.5341 PRESSURE: 4532600 -26.7803 -93.2719 108.859 -93.2731 -49.4046 107.589 108.858 107.59 7.32252 GPRESSURE: 4532600 62.1343 -53.8722 97.1016 -132.163 -36.7506 19.4078 126.509 89.9318 -1.1386 PRESSAVG: 4532600 44.0531 -34.4686 52.2601 -34.4686 -4.95644 -2.33868 52.2602 -2.33869 -24.8047 GPRESSAVG: 4532600 44.866 -33.0472 51.9723 -33.6815 -4.56996 -1.17622 54.9174 -2.78231 -26.0416 TIMING: 4532600 CPU: 13459.7, 0.00293054/step Wall: 13459.7, 0.00293054/step, 0.380482 hours remaining, 208.542969 MB of memory in use. ENERGY: 4532600 737.4613 2083.6610 1942.1957 111.7779 -206211.8583 17660.7962 0.0000 0.0000 34349.8314 -149326.1346 299.9856 -183675.9660 -149232.1146 299.2472 -22.9541 8.0817 557281.6109 4.7640 4.7515 PRESSURE: 4532800 162.758 -100.404 -97.2626 -100.405 187.698 -111.828 -97.2629 -111.83 25.7187 GPRESSURE: 4532800 191.676 -135.769 -92.046 -86.7134 239.95 -89.9066 -107.738 -159.386 41.9122 PRESSAVG: 4532800 -31.9617 -42.0896 34.8752 -42.0895 28.75 -6.07139 34.8752 -6.0715 6.56805 GPRESSAVG: 4532800 -32.4639 -43.4636 34.7324 -42.1544 29.0406 -7.64098 33.8615 -6.68435 6.77827 TIMING: 4532800 CPU: 13460.3, 0.00294403/step Wall: 13460.3, 0.00294403/step, 0.38207 hours remaining, 208.542969 MB of memory in use. ENERGY: 4532800 769.0177 2024.0905 1933.2972 113.8924 -206246.6244 17866.3585 0.0000 0.0000 34378.0326 -149161.9355 300.2319 -183539.9681 -149061.6677 299.4771 125.3916 157.8457 556421.2263 1.1188 1.1183 PRESSURE: 4533000 -24.1287 15.7633 -37.7213 15.7627 -166.342 -103.532 -37.7233 -103.533 147.435 GPRESSURE: 4533000 10.0708 37.8529 -173.27 -28.9819 -157.837 -132.884 11.4679 21.5088 204.006 PRESSAVG: 4533000 -82.5001 -4.25244 14.7998 -4.25245 41.0027 -6.86122 14.7997 -6.86111 9.62324 GPRESSAVG: 4533000 -83.1553 -4.45466 13.3291 -3.58173 41.4486 -5.88701 15.2078 -5.78623 10.1237 TIMING: 4533000 CPU: 13460.9, 0.00294885/step Wall: 13460.9, 0.00294885/step, 0.382532 hours remaining, 208.542969 MB of memory in use. ENERGY: 4533000 750.5520 2096.3953 1929.8040 115.4425 -206366.7344 17977.2870 0.0000 0.0000 34508.2011 -148989.0524 301.3687 -183497.2535 -148887.4201 299.7794 -14.3450 18.7466 558507.1387 -10.6247 -10.5277 PRESSURE: 4533200 -179.413 -199.334 25.3477 -199.334 -41.8805 8.71825 25.3481 8.71611 -204.918 GPRESSURE: 4533200 -155.237 -129.581 38.4992 -216.921 -60.9137 6.44014 -53.3429 -20.2698 -113.606 PRESSAVG: 4533200 17.1875 -17.3836 -3.52556 -17.3836 -5.85038 -25.8689 -3.52573 -25.869 0.114729 GPRESSAVG: 4533200 18.1357 -16.0157 -1.45966 -16.817 -5.93756 -24.7374 -4.94405 -27.4361 -0.832949 TIMING: 4533200 CPU: 13461.5, 0.00291512/step Wall: 13461.5, 0.00291512/step, 0.377993 hours remaining, 208.542969 MB of memory in use. ENERGY: 4533200 750.1736 2110.0888 1929.9517 120.5460 -206153.9171 17773.0932 0.0000 0.0000 34452.5890 -149017.4748 300.8830 -183470.0638 -148921.6951 300.3394 -142.0704 -109.9189 559425.4449 3.8173 3.7884 PRESSURE: 4533400 -68.2606 -41.0725 -2.37987 -41.0726 149.22 108.882 -2.38154 108.884 -79.9098 GPRESSURE: 4533400 -33.9291 -31.0216 -4.3099 -74.6302 183.895 124.785 -48.3684 67.6352 -39.806 PRESSAVG: 4533400 33.2616 -31.7947 -17.3923 -31.7947 -27.5354 23.5393 -17.3924 23.5393 -4.49318 GPRESSAVG: 4533400 32.8821 -31.2934 -17.9775 -34.0409 -28.2395 23.5843 -16.5508 23.2694 -2.76694 TIMING: 4533400 CPU: 13462.1, 0.00294827/step Wall: 13462.1, 0.00294827/step, 0.382129 hours remaining, 208.542969 MB of memory in use. ENERGY: 4533400 737.7785 2073.5141 1953.7068 103.5868 -206377.0480 17959.6745 0.0000 0.0000 34467.0269 -149081.7604 301.0091 -183548.7873 -148988.6663 299.8672 0.3500 36.7198 558849.4518 0.4110 0.6252 PRESSURE: 4533600 5.39302 70.8476 -47.1707 70.8463 22.8321 176.049 -47.1713 176.048 -123.6 GPRESSURE: 4533600 -10.3672 22.0433 78.5974 41.4084 85.0381 132.435 -78.9735 107.776 -70.9508 PRESSAVG: 4533600 36.467 0.145356 -5.13791 0.145415 0.652689 -31.7775 -5.13788 -31.7774 -17.929 GPRESSAVG: 4533600 35.3249 0.630027 -4.91155 -0.28353 1.80459 -31.2779 -5.97254 -31.705 -18.1143 TIMING: 4533600 CPU: 13462.7, 0.00293208/step Wall: 13462.7, 0.00293208/step, 0.379868 hours remaining, 208.542969 MB of memory in use. ENERGY: 4533600 729.0568 2109.8443 1933.5409 105.7583 -205972.2191 17991.2278 0.0000 0.0000 34148.6878 -148954.1032 298.2290 -183102.7910 -148852.6671 299.5247 -31.7917 1.2400 560142.2736 6.3969 6.3384 PRESSURE: 4533800 -362.996 80.9946 45.4598 80.9949 -185.257 66.2037 45.4592 66.201 -62.2464 GPRESSURE: 4533800 -330.265 31.2475 31.9817 86.6361 -166.588 119.436 44.7806 107.262 -17.6587 PRESSAVG: 4533800 -57.2651 40.7266 25.5449 40.7265 -19.3682 0.218646 25.5448 0.218622 94.823 GPRESSAVG: 4533800 -57.2184 39.7248 27.6128 41.5473 -19.7303 -1.06021 25.6531 1.91402 94.7156 TIMING: 4533800 CPU: 13463.3, 0.00293807/step Wall: 13463.3, 0.00293807/step, 0.38048 hours remaining, 208.542969 MB of memory in use. ENERGY: 4533800 735.4667 2138.4341 1892.7803 103.2445 -205794.4194 17613.3013 0.0000 0.0000 34214.3652 -149096.8273 298.8026 -183311.1926 -148996.0072 299.1731 -203.4998 -171.5042 558610.6992 6.0632 5.9223 PRESSURE: 4534000 -17.8541 -62.8287 -23.0551 -62.8297 -86.2836 33.3752 -23.0562 33.3746 -108.345 GPRESSURE: 4534000 -3.68264 -32.7246 -96.752 -82.5265 -77.3748 26.639 -35.1485 73.1648 -59.8147 PRESSAVG: 4534000 -46.476 48.8521 43.5118 48.8521 30.1165 22.9078 43.5119 22.9078 -5.8267 GPRESSAVG: 4534000 -45.5708 49.267 42.5757 48.0434 29.8899 24.8313 43.4081 20.6296 -6.81509 TIMING: 4534000 CPU: 13463.9, 0.00293382/step Wall: 13463.9, 0.00293382/step, 0.379766 hours remaining, 208.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4534000 732.8498 2095.1534 1948.9429 107.2508 -205844.9494 17669.9180 0.0000 0.0000 34262.5103 -149028.3243 299.2230 -183290.8346 -148929.5844 299.7489 -70.8275 -46.9574 558309.1317 -7.3954 -7.4987 PRESSURE: 4534200 108.627 68.2758 -227.08 68.2752 180.949 -121.002 -227.079 -121.002 278.631 GPRESSURE: 4534200 131.596 101.896 -164.926 6.7978 246.568 -109.148 -224.672 -150.274 298.052 PRESSAVG: 4534200 -28.1359 16.6602 -1.85578 16.6602 -59.0122 8.8035 -1.85585 8.80354 46.6 GPRESSAVG: 4534200 -27.6673 15.1346 -4.07562 18.0674 -58.5651 8.81517 -0.989716 9.7862 45.2073 TIMING: 4534200 CPU: 13464.4, 0.00295856/step Wall: 13464.4, 0.00295856/step, 0.382804 hours remaining, 208.542969 MB of memory in use. ENERGY: 4534200 792.4561 2091.4031 1917.9379 117.9445 -206330.5012 18302.9212 0.0000 0.0000 34347.7494 -148760.0890 299.9674 -183107.8384 -148663.1365 300.5323 189.4026 225.4053 557369.5026 -13.5160 -13.6751 PRESSURE: 4534400 133.697 -103.208 26.7823 -103.209 93.131 -34.6013 26.7837 -34.6009 336.511 GPRESSURE: 4534400 129.332 -85.9846 116.374 -96.6158 218.04 -49.7529 -55.8549 29.9932 321.653 PRESSAVG: 4534400 -23.737 30.4924 58.245 30.4924 13.5692 -9.67126 58.2452 -9.6712 29.3528 GPRESSAVG: 4534400 -24.1777 30.0272 58.5268 31.31 12.5429 -9.56552 58.6151 -8.60179 30.9289 TIMING: 4534400 CPU: 13465, 0.00293678/step Wall: 13465, 0.00293678/step, 0.379823 hours remaining, 208.542969 MB of memory in use. ENERGY: 4534400 705.7615 2091.4009 1917.6559 116.6720 -205655.1099 17835.6575 0.0000 0.0000 34273.3251 -148714.6370 299.3175 -182987.9622 -148619.9934 300.4068 187.7796 223.0083 558202.5656 6.3950 6.4314 PRESSURE: 4534600 145.332 -0.675501 -181.281 -0.674491 107.571 24.5896 -181.283 24.5896 100.767 GPRESSURE: 4534600 177.888 31.5674 -215.307 47.1711 144.27 -51.1933 -124.273 107.472 138.503 PRESSAVG: 4534600 -27.885 -18.9249 6.05055 -18.925 -18.5819 -37.1364 6.05055 -37.1364 4.29104 GPRESSAVG: 4534600 -27.9919 -16.2996 6.39266 -18.97 -17.3743 -39.0893 5.46478 -36.5396 3.55663 TIMING: 4534600 CPU: 13465.6, 0.00296099/step Wall: 13465.6, 0.00296099/step, 0.38279 hours remaining, 208.542969 MB of memory in use. ENERGY: 4534600 754.9877 2127.5620 1944.0188 112.0382 -205861.6366 17859.9565 0.0000 0.0000 34208.6547 -148854.4187 298.7527 -183063.0734 -148756.6261 299.9612 117.8898 153.5536 556670.5220 -14.0586 -13.9365 PRESSURE: 4534800 25.0933 -39.7449 61.5955 -39.7449 -284.955 14.3308 61.5937 14.3301 -76.3162 GPRESSURE: 4534800 82.1914 16.2012 110.43 -157.37 -240.654 -11.4155 45.1453 7.30818 -77.1914 PRESSAVG: 4534800 -32.0195 -65.6163 6.56363 -65.6164 16.3363 -10.8233 6.5637 -10.8234 45.3158 GPRESSAVG: 4534800 -32.736 -66.8129 5.76482 -66.5049 16.0735 -11.0391 7.71007 -10.6346 45.8069 TIMING: 4534800 CPU: 13466.2, 0.00293709/step Wall: 13466.2, 0.00293709/step, 0.379537 hours remaining, 208.542969 MB of memory in use. ENERGY: 4534800 747.1060 2171.0050 1901.5706 113.7398 -205750.7641 17507.6861 0.0000 0.0000 34302.0835 -149007.5730 299.5686 -183309.6564 -148909.5516 300.2893 -112.0593 -78.5513 557979.9757 9.8775 9.7148 PRESSURE: 4535000 -259.382 24.6991 -51.5893 24.6998 -1.58692 139.826 -51.5889 139.827 -328.148 GPRESSURE: 4535000 -222.093 -20.6137 -84.5133 130.199 32.4955 139.32 -32.5122 135.814 -307.155 PRESSAVG: 4535000 3.64595 -59.5513 23.5156 -59.5513 40.9456 -1.44517 23.5156 -1.44512 -24.5755 GPRESSAVG: 4535000 2.59554 -59.2845 23.652 -60.5167 40.4627 0.371862 22.779 -2.39183 -22.9057 TIMING: 4535000 CPU: 13466.8, 0.0029263/step Wall: 13466.8, 0.0029263/step, 0.377981 hours remaining, 208.542969 MB of memory in use. ENERGY: 4535000 768.7545 2091.8494 1925.1385 106.1583 -205690.5572 17617.8025 0.0000 0.0000 34208.1588 -148972.6953 298.7484 -183180.8541 -148879.9644 299.6423 -196.3725 -165.5842 559155.0118 6.6720 6.7175 PRESSURE: 4535200 93.7094 -26.5035 -101.293 -26.5022 -78.0372 71.2082 -101.292 71.2094 -69.814 GPRESSURE: 4535200 164.002 89.208 -169.446 -4.25967 -43.7555 85.9934 -129.41 6.79215 -89.9715 PRESSAVG: 4535200 35.1602 -34.6043 -12.1936 -34.6042 -14.5229 23.1658 -12.1936 23.1658 -22.1929 GPRESSAVG: 4535200 36.2066 -33.0816 -10.4897 -33.7604 -15.1949 22.4123 -12.6866 22.7615 -23.2323 TIMING: 4535200 CPU: 13467.4, 0.00293496/step Wall: 13467.4, 0.00293496/step, 0.378937 hours remaining, 208.542969 MB of memory in use. ENERGY: 4535200 755.0777 2100.7332 1940.0642 117.2035 -205823.4746 17805.2783 0.0000 0.0000 34344.7925 -148760.3252 299.9416 -183105.1177 -148658.7002 299.8566 -18.0473 10.0916 557752.3930 -0.5185 -0.7402 PRESSURE: 4535400 -32.674 -147.441 183.109 -147.441 251.211 96.1343 183.108 96.1335 19.7604 GPRESSURE: 4535400 43.188 -199.505 128.197 -138.709 249.72 60.5041 154.162 46.3532 35.6776 PRESSAVG: 4535400 13.3858 11.0299 23.3966 11.03 -4.70278 -15.1487 23.3966 -15.1487 -13.7846 GPRESSAVG: 4535400 12.8078 9.9595 20.8805 10.2381 -4.27562 -13.6931 23.8236 -17.0741 -13.6134 TIMING: 4535400 CPU: 13468, 0.00292872/step Wall: 13468, 0.00292872/step, 0.377967 hours remaining, 208.542969 MB of memory in use. ENERGY: 4535400 726.2783 2101.0773 1923.7072 111.3493 -205862.1466 17732.6524 0.0000 0.0000 34393.2084 -148873.8737 300.3644 -183267.0821 -148777.0552 300.4366 79.4325 109.5286 557739.1495 -1.7005 -1.6937 PRESSURE: 4535600 -69.6655 6.2502 38.7075 6.24886 -128.374 -65.7737 38.7076 -65.7733 -91.1742 GPRESSURE: 4535600 -83.4189 -48.7267 69.1185 110.4 -56.3607 -50.2588 71.1148 -22.2467 -47.8857 PRESSAVG: 4535600 64.0344 -20.8325 33.3642 -20.8325 -3.24709 42.8964 33.3643 42.8965 -84.4223 GPRESSAVG: 4535600 64.638 -21.3217 34.4488 -20.069 -4.54392 44.2705 32.4851 43.4776 -83.78 TIMING: 4535600 CPU: 13468.6, 0.00295106/step Wall: 13468.6, 0.00295106/step, 0.380687 hours remaining, 208.542969 MB of memory in use. ENERGY: 4535600 775.7129 2070.4303 1954.5354 111.3566 -205790.0850 17550.7113 0.0000 0.0000 34452.5756 -148874.7629 300.8829 -183327.3385 -148779.6389 300.4817 -96.4045 -62.5551 558814.0683 -7.8783 -7.8953 PRESSURE: 4535800 -46.8609 -103.157 82.6499 -103.156 -479.945 -90.4455 82.65 -90.4455 -192.266 GPRESSURE: 4535800 -12.1586 -67.9408 154.258 -118.035 -445.219 -129.41 -8.07635 -43.167 -165.169 PRESSAVG: 4535800 13.7782 -20.4653 13.6034 -20.4653 -7.632 4.96094 13.6035 4.96094 12.134 GPRESSAVG: 4535800 14.5996 -21.0195 15.778 -20.5855 -7.50855 2.7418 13.4858 5.56938 11.9446 TIMING: 4535800 CPU: 13469.1, 0.00294376/step Wall: 13469.1, 0.00294376/step, 0.379582 hours remaining, 208.542969 MB of memory in use. ENERGY: 4535800 758.5308 2045.2914 1927.5963 110.7954 -205403.1250 17276.3832 0.0000 0.0000 34275.3434 -149009.1844 299.3351 -183284.5278 -148907.1309 300.0718 -239.6906 -207.5156 557848.7465 6.0934 6.3452 PRESSURE: 4536000 197.358 -100.866 11.1553 -100.866 -186.327 102.959 11.1543 102.961 -48.5803 GPRESSURE: 4536000 159.993 -98.9842 72.7233 -51.4904 -97.1671 25.2379 -95.6211 110.279 -8.87911 PRESSAVG: 4536000 25.1737 -54.3233 39.7545 -54.3234 -77.6138 2.87093 39.7544 2.87101 41.5597 GPRESSAVG: 4536000 24.7878 -53.5152 38.2946 -50.9474 -75.6713 3.93965 39.3109 2.1041 40.1253 TIMING: 4536000 CPU: 13469.7, 0.00296389/step Wall: 13469.7, 0.00296389/step, 0.382012 hours remaining, 208.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4536000 771.7385 2066.3375 1947.6829 107.3008 -206026.7859 17698.2661 0.0000 0.0000 34306.3887 -149129.0714 299.6062 -183435.4601 -149027.7870 299.8060 -12.5166 17.9823 558266.6656 -3.6268 -3.5861 PRESSURE: 4536200 -196.83 -47.7658 6.79778 -47.7661 -32.7296 55.8403 6.79798 55.8424 80.5572 GPRESSURE: 4536200 -116.242 -81.0778 92.3983 -100.524 -9.80178 49.4589 -4.53024 -30.7526 71.5905 PRESSAVG: 4536200 82.058 5.06149 33.8187 5.06147 -90.6754 46.9005 33.8188 46.9007 19.0285 GPRESSAVG: 4536200 82.9285 6.27353 32.1859 -0.211362 -92.0378 46.6167 34.4623 47.8202 19.4912 TIMING: 4536200 CPU: 13470.3, 0.00296389/step Wall: 13470.3, 0.00296389/step, 0.381848 hours remaining, 208.542969 MB of memory in use. ENERGY: 4536200 790.7299 2079.4856 1927.6763 117.3497 -206363.2160 17924.6269 0.0000 0.0000 34239.2284 -149284.1193 299.0197 -183523.3477 -149192.5506 299.1909 -49.6673 -18.1512 558122.7329 3.4703 3.4606 LDB: ============= START OF LOAD BALANCING ============== 13473.9 LDB: ============== END OF LOAD BALANCING =============== 13473.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13473.9 LDB: ============= START OF LOAD BALANCING ============== 13474.2 LDB: Largest compute 4801 load 0.020872 is 17.7% of average load 0.118249 LDB: Average compute 0.001743 is 1.5% of average load 0.118249 LDB: TIME 13474.2 LOAD: AVG 0.118249 MAX 0.195573 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.207 MB LDB: TIME 13474.2 LOAD: AVG 0.118249 MAX 0.195573 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.406 MB LDB: TIME 13474.2 LOAD: AVG 0.118249 MAX 0.195573 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.406 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13474.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13474.2 PRESSURE: 4536400 -43.8169 77.2382 -15.2247 77.2384 -11.3713 -65.8227 -15.2248 -65.824 -364.975 GPRESSURE: 4536400 -125.237 14.9139 23.2689 131.44 86.844 -68.488 -73.9798 -58.232 -275.722 PRESSAVG: 4536400 -5.69169 14.9002 -28.4466 14.9002 -7.41597 -22.5072 -28.4466 -22.5071 7.37892 GPRESSAVG: 4536400 -7.04109 13.6889 -28.8116 15.0427 -6.54396 -22.8186 -26.8195 -21.7949 8.27859 TIMING: 4536400 CPU: 13470.9, 0.00301154/step Wall: 13470.9, 0.00301154/step, 0.38782 hours remaining, 208.343750 MB of memory in use. ENERGY: 4536400 775.2069 2102.1584 1927.9327 112.1884 -206147.4590 17700.8388 0.0000 0.0000 34266.5439 -149262.5898 299.2583 -183529.1337 -149163.0785 299.3586 -140.0545 -104.7050 558716.0834 -1.9096 -1.7688 PRESSURE: 4536600 118.488 -113.949 57.9795 -113.948 -151.827 150.815 57.9802 150.814 32.9315 GPRESSURE: 4536600 134.716 -129.218 36.3178 -63.4274 -93.9313 129.176 94.9943 0.918076 52.938 PRESSAVG: 4536600 55.9776 -12.7073 -28.8322 -12.7073 -18.2327 -34.9857 -28.8321 -34.9857 5.05956 GPRESSAVG: 4536600 57.3262 -12.4105 -27.6157 -9.38428 -19.6393 -35.5018 -30.0413 -34.767 4.46378 TIMING: 4536600 CPU: 13471.5, 0.00292729/step Wall: 13471.5, 0.00292729/step, 0.376808 hours remaining, 208.542969 MB of memory in use. ENERGY: 4536600 749.3090 2090.6296 1942.5807 116.8810 -206058.9449 17723.1997 0.0000 0.0000 34260.4223 -149175.9226 299.2048 -183436.3449 -149083.6545 299.5650 -0.1359 31.2409 556744.1548 14.2682 14.0503 PRESSURE: 4536800 185.225 41.2542 -47.764 41.253 159.578 -104.014 -47.7645 -104.014 111.57 GPRESSURE: 4536800 169.157 -47.4248 -64.3533 47.3395 237.56 -159.328 -120.116 -13.4182 135.697 PRESSAVG: 4536800 51.0638 15.0757 20.95 15.0757 -29.2723 -4.40032 20.9501 -4.40034 -23.9357 GPRESSAVG: 4536800 50.4875 15.7998 19.0904 13.5984 -28.4656 -3.38164 23.0588 -7.16697 -23.813 TIMING: 4536800 CPU: 13472.1, 0.00293439/step Wall: 13472.1, 0.00293439/step, 0.377558 hours remaining, 208.542969 MB of memory in use. ENERGY: 4536800 773.3579 2106.8385 1955.6764 113.4911 -206331.1538 17936.0179 0.0000 0.0000 34243.9084 -149201.8636 299.0606 -183445.7720 -149106.3651 300.1181 152.1244 180.8050 555771.9281 -0.7147 -0.5970 PRESSURE: 4537000 361.462 78.122 16.7951 78.1228 38.8947 -13.2557 16.7952 -13.2559 -77.6416 GPRESSURE: 4537000 299.647 104.362 -23.1781 90.9169 96.8443 34.5451 -15.3397 25.3971 20.1857 PRESSAVG: 4537000 43.7616 -26.5985 -14.0104 -26.5986 29.6523 3.43764 -14.0103 3.43751 -45.8125 GPRESSAVG: 4537000 42.8225 -27.7967 -12.5164 -25.6246 30.6496 2.82898 -17.6199 4.93197 -46.2299 TIMING: 4537000 CPU: 13472.7, 0.00293381/step Wall: 13472.7, 0.00293381/step, 0.377321 hours remaining, 208.542969 MB of memory in use. ENERGY: 4537000 770.6579 2093.2471 1953.9411 114.2191 -205971.5656 17736.9769 0.0000 0.0000 34201.1665 -149101.3569 298.6873 -183302.5234 -149011.0479 299.5156 107.5718 138.8925 557062.8099 9.2005 9.0807 PRESSURE: 4537200 -26.2571 108.653 -117.349 108.653 22.9139 -55.4292 -117.349 -55.429 64.7524 GPRESSURE: 4537200 30.9752 107.018 -101.989 183.873 30.7163 -74.8905 -184.407 -138.934 112.437 PRESSAVG: 4537200 84.6846 34.9915 -92.3067 34.9915 -2.02406 11.5693 -92.3067 11.5695 -59.6175 GPRESSAVG: 4537200 85.0257 33.5442 -91.8407 36.1238 -3.64012 11.7855 -91.9986 10.55 -57.8599 TIMING: 4537200 CPU: 13473.3, 0.00295307/step Wall: 13473.3, 0.00295307/step, 0.379633 hours remaining, 208.542969 MB of memory in use. ENERGY: 4537200 771.8981 2087.3012 1941.1616 111.3316 -206498.4456 18030.4544 0.0000 0.0000 34284.5549 -149271.7439 299.4155 -183556.2988 -149169.3008 299.5040 20.4697 58.0428 556588.7792 7.6810 7.8419 PRESSURE: 4537400 33.942 -5.48798 -28.4315 -5.4873 -161.552 43.7348 -28.4311 43.7344 -69.2395 GPRESSURE: 4537400 106.672 -13.4043 -39.9001 -5.44153 -151.669 67.8141 -9.78519 47.5261 -46.0116 PRESSAVG: 4537400 37.2012 -5.01075 -33.2132 -5.01079 7.01928 -46.4284 -33.2132 -46.4284 -53.1385 GPRESSAVG: 4537400 38.3839 -4.40249 -33.8149 -7.07117 6.53305 -46.5254 -33.0301 -45.1543 -53.9748 TIMING: 4537400 CPU: 13473.9, 0.00293779/step Wall: 13473.9, 0.00293779/step, 0.377506 hours remaining, 208.542969 MB of memory in use. ENERGY: 4537400 737.4388 2068.4724 1946.7654 105.1372 -206249.5044 17717.6989 0.0000 0.0000 34430.2678 -149243.7239 300.6881 -183673.9917 -149144.1025 298.9915 -65.6165 -30.3362 558361.6649 -2.9727 -3.0193 PRESSURE: 4537600 115.018 11.7689 9.982 11.7685 2.11403 231.388 9.98277 231.388 -53.0061 GPRESSURE: 4537600 132.732 81.5359 -1.81666 -36.4389 66.2377 201.153 -28.3618 253.127 -34.9743 PRESSAVG: 4537600 78.0418 9.8103 -16.7475 9.81032 -1.40389 15.6289 -16.7474 15.6287 -29.7232 GPRESSAVG: 4537600 78.1196 11.5586 -16.5827 11.0003 -1.01783 17.0222 -16.7444 13.6887 -30.2274 TIMING: 4537600 CPU: 13474.5, 0.0029455/step Wall: 13474.5, 0.0029455/step, 0.378333 hours remaining, 208.542969 MB of memory in use. ENERGY: 4537600 709.7619 2081.9252 1929.2494 105.7168 -206600.1563 18089.5183 0.0000 0.0000 34553.6235 -149130.3613 301.7654 -183683.9848 -149037.2415 299.4378 21.3752 54.6652 558685.8446 15.6382 15.6248 PRESSURE: 4537800 -183.254 -86.3814 -85.1064 -86.3825 -94.6672 -96.4239 -85.1058 -96.4237 -91.7118 GPRESSURE: 4537800 -177.607 16.0643 -60.8344 -131.369 -24.1622 -170.471 -123.051 -113.097 -58.2952 PRESSAVG: 4537800 36.0675 -16.5071 -42.5787 -16.5071 5.0643 48.0271 -42.5786 48.0272 -7.06595 GPRESSAVG: 4537800 35.4722 -17.7823 -43.0058 -14.3958 5.32186 48.1412 -43.4271 47.3131 -6.90196 TIMING: 4537800 CPU: 13475, 0.00293115/step Wall: 13475, 0.00293115/step, 0.376327 hours remaining, 208.542969 MB of memory in use. ENERGY: 4537800 745.3669 2067.2158 1907.5921 113.1216 -206206.6798 17768.2564 0.0000 0.0000 34436.1985 -149168.9285 300.7399 -183605.1270 -149075.0633 299.6265 -123.2110 -86.6880 558901.2080 11.3553 11.2974 PRESSURE: 4538000 162.013 233.912 -27.7706 233.912 232.658 90.9018 -27.771 90.9016 219.246 GPRESSURE: 4538000 192.392 201.537 18.1047 165.781 243.327 68.3942 -87.9158 60.8489 278.948 PRESSAVG: 4538000 -38.3324 11.6406 20.2741 11.6405 39.3925 -17.9634 20.274 -17.9634 -28.4718 GPRESSAVG: 4538000 -36.7468 12.4508 21.3963 7.54144 38.6422 -19.4189 20.5245 -16.6126 -29.5776 TIMING: 4538000 CPU: 13475.6, 0.00294086/step Wall: 13475.6, 0.00294086/step, 0.377411 hours remaining, 208.542969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4538000 692.1924 2029.9500 1921.4315 100.0772 -206530.3566 18257.5933 0.0000 0.0000 34465.3936 -149063.7186 300.9949 -183529.1122 -148968.4720 300.0103 204.6388 238.2225 558686.0074 -9.1372 -9.2274 PRESSURE: 4538200 -26.6559 236.904 -37.5657 236.904 -123.191 201.482 -37.5655 201.483 9.84545 GPRESSURE: 4538200 -21.2836 166.661 -73.7068 254.869 -46.4087 192.733 66.5158 177.412 25.0195 PRESSAVG: 4538200 -19.7416 32.3076 18.8662 32.3077 26.3615 68.0891 18.8662 68.0892 -16.5734 GPRESSAVG: 4538200 -21.6098 31.2381 18.7082 37.4817 26.1917 67.2872 19.3475 68.4765 -14.6075 TIMING: 4538200 CPU: 13476.2, 0.00293723/step Wall: 13476.2, 0.00293723/step, 0.376781 hours remaining, 208.542969 MB of memory in use. ENERGY: 4538200 735.1749 2072.4080 1903.6163 112.4751 -205989.6644 17826.8336 0.0000 0.0000 34196.7482 -149142.4082 298.6487 -183339.1564 -149041.1885 299.3646 -46.6670 -14.2243 559780.8760 -3.3178 -3.3419 PRESSURE: 4538400 -26.7782 32.9673 -62.8802 32.969 -54.9292 41.0461 -62.8793 41.0462 211.975 GPRESSURE: 4538400 31.8053 -60.6368 -43.2925 18.1935 -63.5064 62.6986 -109.026 -15.3513 250.937 PRESSAVG: 4538400 -20.447 12.5703 -7.46901 12.5704 37.9399 -22.0372 -7.46892 -22.0372 -35.6364 GPRESSAVG: 4538400 -19.9442 12.9159 -8.79139 7.54405 38.2451 -20.9412 -6.62357 -21.4141 -36.3457 TIMING: 4538400 CPU: 13476.8, 0.0029457/step Wall: 13476.8, 0.0029457/step, 0.377704 hours remaining, 208.582031 MB of memory in use. ENERGY: 4538400 749.1054 2065.4996 1912.0716 101.9738 -206492.1951 18097.1887 0.0000 0.0000 34438.8129 -149127.5431 300.7627 -183566.3560 -149023.9721 298.9742 43.4225 73.0785 559127.1772 -6.0478 -6.0149 PRESSURE: 4538600 121.485 81.509 -46.2751 81.5083 -216.937 110.589 -46.2762 110.59 -90.6237 GPRESSURE: 4538600 80.21 163.082 17.8402 -21.6998 -142.621 63.6391 -68.6261 181.049 -16.15 PRESSAVG: 4538600 5.79906 11.1456 17.1766 11.1456 12.8814 62.1016 17.1766 62.1016 -35.8032 GPRESSAVG: 4538600 5.04059 13.8851 17.569 12.9191 13.2295 59.5531 15.7642 64.5432 -35.2535 TIMING: 4538600 CPU: 13477.4, 0.00293468/step Wall: 13477.4, 0.00293468/step, 0.376129 hours remaining, 208.582031 MB of memory in use. ENERGY: 4538600 753.4141 2064.6425 1923.9468 113.3071 -206159.9148 17944.4313 0.0000 0.0000 34381.0090 -148979.1639 300.2579 -183360.1729 -148883.6430 299.9505 -62.0253 -26.1870 558345.8723 -5.7076 -5.6611 PRESSURE: 4538800 -51.5472 -127.737 44.5498 -127.737 2.43696 -18.2369 44.5497 -18.2368 -207.166 GPRESSURE: 4538800 -5.51625 -138.646 93.6166 -183.086 23.3679 9.5494 -8.07733 -12.6829 -154.702 PRESSAVG: 4538800 27.5233 -38.4201 -18.1408 -38.4201 -29.7215 46.64 -18.1409 46.64 7.67246 GPRESSAVG: 4538800 27.7755 -40.6066 -16.3491 -37.4875 -30.4705 48.126 -17.0758 46.2579 8.20338 TIMING: 4538800 CPU: 13478, 0.00292314/step Wall: 13478, 0.00292314/step, 0.374487 hours remaining, 208.582031 MB of memory in use. ENERGY: 4538800 779.5885 2070.5026 1909.9940 127.8207 -206033.2409 17825.2000 0.0000 0.0000 34294.1243 -149026.0109 299.4991 -183320.1352 -148930.5373 300.1371 -85.4255 -45.6169 558397.8679 1.8247 1.8361 PRESSURE: 4539000 54.7957 103.306 -84.6295 103.307 54.8343 70.7796 -84.6286 70.7801 -74.4807 GPRESSURE: 4539000 81.7477 62.2602 -99.9736 95.3894 92.6169 5.05965 -96.7537 113.044 -40.1917 PRESSAVG: 4539000 -12.4873 7.77605 -46.4501 7.77605 -11.0314 1.92834 -46.4501 1.92829 34.2085 GPRESSAVG: 4539000 -11.915 6.13561 -45.162 8.7874 -11.0285 2.72818 -48.1543 -0.113013 33.1239 TIMING: 4539000 CPU: 13478.6, 0.00295881/step Wall: 13478.6, 0.00295881/step, 0.378892 hours remaining, 208.582031 MB of memory in use. ENERGY: 4539000 694.2894 2099.1095 1920.8877 105.1304 -206143.7544 17809.2686 0.0000 0.0000 34527.2823 -148987.7865 301.5353 -183515.0688 -148895.2095 300.1900 11.7164 44.7243 558927.7318 3.5632 3.3935 PRESSURE: 4539200 -268.51 -23.5992 -87.5548 -23.5989 -260.164 -100.949 -87.5556 -100.949 -261.936 GPRESSURE: 4539200 -227.909 -28.9992 -93.124 -52.3877 -257.178 -47.518 -93.2563 -110.855 -215.564 PRESSAVG: 4539200 7.28189 -57.0003 -64.382 -57.0003 -11.7608 40.2894 -64.3819 40.2894 4.63876 GPRESSAVG: 4539200 7.58464 -58.188 -67.3619 -57.2381 -11.3597 40.1906 -63.0322 42.1413 3.31387 TIMING: 4539200 CPU: 13479.2, 0.00296938/step Wall: 13479.2, 0.00296938/step, 0.380081 hours remaining, 208.582031 MB of memory in use. ENERGY: 4539200 749.8531 2064.3403 1932.8359 113.6883 -205727.4638 17505.9610 0.0000 0.0000 34476.8976 -148883.8876 301.0953 -183360.7852 -148786.4567 301.0684 -263.5366 -233.5506 558717.0106 0.0533 -0.1537 PRESSURE: 4539400 -5.86535 -30.0206 -26.1026 -30.0197 -110.465 -54.4984 -26.1028 -54.498 -189.353 GPRESSURE: 4539400 -9.1141 -14.8282 -84.2708 27.0016 -49.0668 -8.68275 -44.4932 -84.1281 -145.044 PRESSAVG: 4539400 28.0787 -99.7011 6.5376 -99.7012 56.8294 13.1445 6.5376 13.1446 -44.9356 GPRESSAVG: 4539400 26.6033 -97.3459 8.68835 -101.18 56.865 14.1513 7.47772 10.27 -43.5244 TIMING: 4539400 CPU: 13479.8, 0.00295006/step Wall: 13479.8, 0.00295006/step, 0.377444 hours remaining, 208.582031 MB of memory in use. ENERGY: 4539400 762.0218 2097.0040 1923.4483 118.1256 -205624.5828 17599.4412 0.0000 0.0000 34207.5207 -148917.0212 298.7428 -183124.5419 -148819.2877 300.1956 -101.8946 -67.7416 558906.9391 13.3241 13.3146 PRESSURE: 4539600 -84.6136 82.7982 100.576 82.7985 -87.9726 -91.012 100.576 -91.0113 162.581 GPRESSURE: 4539600 -74.4717 32.9527 137.663 82.9283 -26.1999 -71.7702 24.6933 -45.7384 173.253 PRESSAVG: 4539600 58.0973 -5.71491 -21.7868 -5.71493 -28.2631 -16.5001 -21.7868 -16.5001 16.3575 GPRESSAVG: 4539600 58.9488 -7.43011 -23.6164 -4.3714 -28.9428 -18.4279 -21.0816 -12.4607 15.8253 TIMING: 4539600 CPU: 13480.4, 0.00295544/step Wall: 13480.4, 0.00295544/step, 0.377968 hours remaining, 208.582031 MB of memory in use. ENERGY: 4539600 749.0745 2127.0731 1910.1488 105.6917 -206164.2286 17802.6729 0.0000 0.0000 34501.8166 -148967.7510 301.3129 -183469.5677 -148871.8497 300.4932 -3.3352 24.1938 558647.6239 15.3972 15.2771 PRESSURE: 4539800 -290.505 -91.4418 -40.7122 -91.4426 -141.011 58.1806 -40.7121 58.1818 -37.6415 GPRESSURE: 4539800 -225.199 -101.801 -53.0107 -103.747 -139.522 15.8404 -40.9776 70.6222 -8.37662 PRESSAVG: 4539800 15.4425 -79.0426 -11.0475 -79.0426 -72.3951 -11.0997 -11.0476 -11.0997 38.8199 GPRESSAVG: 4539800 14.7371 -77.9222 -8.57537 -78.2497 -70.8787 -9.95187 -13.1219 -13.6276 38.0012 TIMING: 4539800 CPU: 13480.9, 0.00295723/step Wall: 13480.9, 0.00295723/step, 0.378032 hours remaining, 208.582031 MB of memory in use. ENERGY: 4539800 760.2533 2128.1912 1925.7459 103.2095 -205915.2388 17597.8932 0.0000 0.0000 34372.9983 -149026.9474 300.1879 -183399.9458 -148930.8601 299.7504 -156.3860 -124.3660 560179.2651 -6.0442 -6.0468 PRESSURE: 4540000 -80.722 52.0138 -40.3494 52.0139 91.0066 -95.7308 -40.35 -95.7286 66.1002 GPRESSURE: 4540000 -22.627 104.755 -77.0347 21.9514 107.784 -153.117 17.538 -46.6889 93.1617 PRESSAVG: 4540000 -13.4688 31.917 21.3442 31.917 -16.9389 33.0398 21.3441 33.0397 34.5646 GPRESSAVG: 4540000 -11.3886 32.7873 19.0866 30.3537 -18.4808 34.48 21.4134 31.2763 34.4541 TIMING: 4540000 CPU: 13481.5, 0.00294363/step Wall: 13481.5, 0.00294363/step, 0.376131 hours remaining, 208.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4540000 719.6340 2103.1718 1939.9666 115.4571 -206397.6445 17883.6135 0.0000 0.0000 34519.0780 -149116.7234 301.4637 -183635.8015 -149011.6907 299.8033 25.4616 59.4394 557858.4968 1.3856 1.5283 PRESSURE: 4540200 -287.704 140.734 -28.9066 140.734 -233.432 55.9886 -28.905 55.9873 109.327 GPRESSURE: 4540200 -243.786 139.478 20.5693 164.92 -207.303 60.8657 21.5702 35.1105 133.867 PRESSAVG: 4540200 -38.2728 57.0472 10.2719 57.0471 18.5928 -21.9332 10.2719 -21.9334 42.361 GPRESSAVG: 4540200 -39.487 55.6951 9.86519 57.1948 18.9309 -23.977 12.1003 -21.7133 42.9196 TIMING: 4540200 CPU: 13482.1, 0.00293196/step Wall: 13482.1, 0.00293196/step, 0.374476 hours remaining, 208.582031 MB of memory in use. ENERGY: 4540200 776.6912 2111.7822 1906.9936 104.9103 -206276.2659 17773.8416 0.0000 0.0000 34340.9210 -149261.1260 299.9078 -183602.0470 -149170.1002 299.5846 -137.2697 -105.7404 558143.6966 7.5603 7.4545 LDB: ============= START OF LOAD BALANCING ============== 13485.7 LDB: ============== END OF LOAD BALANCING =============== 13485.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13485.7 LDB: ============= START OF LOAD BALANCING ============== 13486 LDB: Largest compute 4801 load 0.021252 is 18.0% of average load 0.118383 LDB: Average compute 0.001726 is 1.5% of average load 0.118383 LDB: TIME 13486 LOAD: AVG 0.118383 MAX 0.196552 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.344 MB LDB: TIME 13486 LOAD: AVG 0.118383 MAX 0.196552 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.344 MB LDB: TIME 13486 LOAD: AVG 0.118383 MAX 0.196552 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.344 MB LDB: ============== END OF LOAD BALANCING =============== 13486 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13486 PRESSURE: 4540400 208.103 -136.436 45.1359 -136.436 270.88 -65.0452 45.1366 -65.0461 371.117 GPRESSURE: 4540400 250.848 -159.879 62.8062 -58.4442 321.251 -8.89648 6.95852 -68.9922 376.444 PRESSAVG: 4540400 -51.4694 -47.8569 -32.7288 -47.8569 68.4472 -3.18591 -32.7289 -3.18606 19.6872 GPRESSAVG: 4540400 -50.0947 -45.6923 -32.5721 -50.4404 68.1603 -1.72718 -34.3162 -2.69922 18.7829 TIMING: 4540400 CPU: 13482.7, 0.0029757/step Wall: 13482.7, 0.0029757/step, 0.379898 hours remaining, 210.203125 MB of memory in use. ENERGY: 4540400 744.7845 2073.0249 1937.1863 113.4459 -206918.4730 18411.2727 0.0000 0.0000 34269.9222 -149368.8366 299.2878 -183638.7588 -149275.4792 299.1963 283.3669 316.1811 557137.4251 12.2217 12.2828 PRESSURE: 4540600 -107.879 90.1371 -97.3002 90.1376 -102.678 22.4736 -97.3 22.4744 -116.827 GPRESSURE: 4540600 -53.2437 53.5648 -117.34 92.0839 -80.7559 -36.9826 -17.1751 50.2103 -87.1804 PRESSAVG: 4540600 8.92218 -42.3152 -29.8787 -42.3153 60.4245 -13.6009 -29.8787 -13.6011 -37.5318 GPRESSAVG: 4540600 6.91227 -43.0081 -28.3976 -40.9595 60.6246 -15.5735 -28.3358 -14.0585 -35.6891 TIMING: 4540600 CPU: 13483.3, 0.0029149/step Wall: 13483.3, 0.0029149/step, 0.371973 hours remaining, 210.269531 MB of memory in use. ENERGY: 4540600 783.3444 2029.9658 1924.9658 113.0709 -206444.8576 17876.9304 0.0000 0.0000 34241.5069 -149475.0735 299.0396 -183716.5804 -149381.0422 299.1768 -109.1282 -73.7267 558982.2585 10.6050 10.6159 PRESSURE: 4540800 47.8876 -62.8056 0.396267 -62.8058 326.589 -68.3848 0.395079 -68.3864 151.174 GPRESSURE: 4540800 67.2839 -77.8868 49.2213 -54.5354 350.789 -44.2211 43.2352 -93.1603 195.972 PRESSAVG: 4540800 -27.1739 6.06714 26.0061 6.06712 28.5807 -17.2583 26.0061 -17.2583 4.02735 GPRESSAVG: 4540800 -26.1035 3.90287 26.2349 7.15614 28.1032 -15.9462 24.6444 -16.0448 3.46562 TIMING: 4540800 CPU: 13483.9, 0.00296665/step Wall: 13483.9, 0.00296665/step, 0.378413 hours remaining, 210.269531 MB of memory in use. ENERGY: 4540800 747.0007 2101.7413 1920.6068 124.7947 -206547.3683 18242.5013 0.0000 0.0000 34198.1592 -149212.5643 298.6610 -183410.7235 -149120.2419 298.9317 175.2170 204.6816 558406.0138 1.8114 1.8218 PRESSURE: 4541000 162.878 159.808 34.2157 159.809 195.052 -113.213 34.2162 -113.212 129.995 GPRESSURE: 4541000 203.415 130.433 -9.57361 176.719 243.516 -183.204 40.9444 -154.253 140.023 PRESSAVG: 4541000 -15.2707 30.9833 -84.6455 30.9834 34.2078 93.3959 -84.6455 93.3959 -40.6486 GPRESSAVG: 4541000 -14.8855 29.3377 -86.1343 32.5423 35.0299 92.8712 -83.8877 91.9161 -41.2688 TIMING: 4541000 CPU: 13484.5, 0.00294761/step Wall: 13484.5, 0.00294761/step, 0.37582 hours remaining, 210.269531 MB of memory in use. ENERGY: 4541000 776.6436 2087.8849 1925.3696 121.8528 -206651.8306 18331.6660 0.0000 0.0000 34153.8850 -149254.5288 298.2744 -183408.4138 -149153.7246 299.1053 162.6413 195.6513 558074.6726 -7.2372 -7.0415 PRESSURE: 4541200 42.9565 153.315 -93.3349 153.316 -171.059 -27.648 -93.3351 -27.6479 -445.049 GPRESSURE: 4541200 57.4144 177.437 -21.0666 158.364 -159.446 30.4789 -195.902 -20.9186 -379.85 PRESSAVG: 4541200 39.7902 23.9814 -59.6074 23.9815 52.1313 25.388 -59.6075 25.388 -67.9857 GPRESSAVG: 4541200 39.952 27.0774 -57.2349 21.1759 51.9587 26.2194 -62.2851 26.6397 -67.514 TIMING: 4541200 CPU: 13485.1, 0.00293664/step Wall: 13485.1, 0.00293664/step, 0.374258 hours remaining, 210.269531 MB of memory in use. ENERGY: 4541200 750.0896 2145.0299 1902.6326 116.5448 -205584.5767 17502.4153 0.0000 0.0000 33922.5009 -149245.3635 296.2536 -183167.8644 -149151.6104 298.8756 -191.0505 -160.6273 560367.2718 7.9786 8.1322 PRESSURE: 4541400 -410.973 56.1516 148.664 56.1526 -127.775 -23.6242 148.665 -23.6253 -115.271 GPRESSURE: 4541400 -395.38 17.3802 174.996 51.9242 -104.351 15.8984 127.782 -95.8643 -64.5363 PRESSAVG: 4541400 -71.8372 27.2818 -22.044 27.2817 8.17403 24.985 -22.044 24.985 30.2446 GPRESSAVG: 4541400 -71.4748 26.0239 -24.8335 26.9909 7.38622 23.0488 -19.114 25.7953 30.7572 TIMING: 4541400 CPU: 13485.7, 0.00293968/step Wall: 13485.7, 0.00293968/step, 0.374483 hours remaining, 210.269531 MB of memory in use. ENERGY: 4541400 726.8784 2101.5263 1933.3651 112.8009 -205653.1003 17506.5695 0.0000 0.0000 34216.5319 -149055.4282 298.8215 -183271.9600 -148956.9959 298.8341 -218.0067 -188.0892 560371.1695 -11.1396 -11.1105 PRESSURE: 4541600 277.476 -178.902 -230.353 -178.902 12.2673 0.401977 -230.353 0.402397 98.0339 GPRESSURE: 4541600 308.724 -77.7362 -224.639 -122.975 110.317 73.7365 -273.223 1.19036 56.4714 PRESSAVG: 4541600 -79.2166 -3.88493 -25.8838 -3.88494 85.3692 -31.6385 -25.8839 -31.6386 -16.4427 GPRESSAVG: 4541600 -79.9878 -4.00727 -25.0145 -0.993531 86.1228 -29.4833 -26.3356 -33.4073 -16.8749 TIMING: 4541600 CPU: 13486.2, 0.00293547/step Wall: 13486.2, 0.00293547/step, 0.373784 hours remaining, 210.269531 MB of memory in use. ENERGY: 4541600 729.4987 2088.3535 1932.4438 118.0247 -206026.6168 17919.1509 0.0000 0.0000 34237.1664 -149001.9789 299.0017 -183239.1453 -148909.1632 299.7221 129.2592 158.5043 557838.9829 -3.4300 -3.5800 PRESSURE: 4541800 -102.945 44.8614 -48.1507 44.8612 -164.475 -32.507 -48.151 -32.5048 -35.2008 GPRESSURE: 4541800 -17.1269 108.83 -99.453 112.63 -161.706 -22.5466 59.1829 33.6301 -41.0293 PRESSAVG: 4541800 -59.3944 -44.0884 -19.2816 -44.0884 28.7841 38.493 -19.2816 38.4931 38.0021 GPRESSAVG: 4541800 -58.3286 -43.0362 -19.4705 -46.7454 28.6979 36.0612 -18.4682 40.8318 37.1441 TIMING: 4541800 CPU: 13486.8, 0.00292936/step Wall: 13486.8, 0.00292936/step, 0.372842 hours remaining, 210.269531 MB of memory in use. ENERGY: 4541800 773.6718 2032.7562 1959.9439 115.0994 -205659.2816 17650.5257 0.0000 0.0000 34346.7660 -148780.5186 299.9588 -183127.2846 -148679.3326 300.3231 -100.8736 -73.2876 558945.1764 2.4639 2.5045 PRESSURE: 4542000 -243.31 115.34 -58.0193 115.34 -144.893 127.483 -58.0195 127.484 -63.4485 GPRESSURE: 4542000 -250.894 99.6215 14.8728 186.795 -77.1159 126.014 -145.195 132.256 -25.0451 PRESSAVG: 4542000 -4.02589 57.4758 5.18 57.4759 5.33808 7.48272 5.18013 7.48275 -39.9597 GPRESSAVG: 4542000 -4.78967 56.8483 7.79534 58.7551 6.26019 8.17994 4.23525 7.53841 -39.6346 TIMING: 4542000 CPU: 13487.4, 0.00296609/step Wall: 13487.4, 0.00296609/step, 0.377353 hours remaining, 210.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4542000 788.5584 2127.7605 1928.6691 104.2044 -205783.7060 17590.0217 0.0000 0.0000 34422.9489 -148821.5429 300.6242 -183244.4918 -148725.6787 300.6601 -150.5503 -117.6850 558340.0901 -12.8825 -12.7214 PRESSURE: 4542200 -68.7431 -33.7641 -111.203 -33.7658 -53.3167 46.436 -111.202 46.4379 -244.677 GPRESSURE: 4542200 -57.8433 -94.5806 -39.6509 -43.665 -47.2628 49.8733 -36.2796 17.0377 -174.301 PRESSAVG: 4542200 -11.8702 13.0853 41.7501 13.0853 14.1862 30.979 41.7501 30.979 7.34293 GPRESSAVG: 4542200 -11.1744 11.9904 41.8047 13.851 13.6726 31.1359 42.9818 30.612 7.26879 TIMING: 4542200 CPU: 13488, 0.00294128/step Wall: 13488, 0.00294128/step, 0.374033 hours remaining, 210.269531 MB of memory in use. ENERGY: 4542200 762.4247 2128.5822 1918.4419 122.7514 -205958.8514 17627.9619 0.0000 0.0000 34281.9593 -149116.7299 299.3929 -183398.6892 -149019.3147 300.3003 -122.2454 -93.1356 558515.8808 3.2196 3.2557 PRESSURE: 4542400 -32.7678 72.4421 113.782 72.4434 -9.70042 40.8074 113.784 40.8081 115.389 GPRESSURE: 4542400 51.3288 110.285 166.444 21.0958 0.587088 27.7568 37.1343 81.36 112.901 PRESSAVG: 4542400 -23.9216 4.90434 56.5494 4.90432 9.03143 41.355 56.5495 41.3551 -20.0902 GPRESSAVG: 4542400 -24.5232 3.70033 55.5405 6.08678 9.40109 41.6622 55.0615 39.3834 -20.5733 TIMING: 4542400 CPU: 13488.6, 0.00294548/step Wall: 13488.6, 0.00294548/step, 0.374403 hours remaining, 210.269531 MB of memory in use. ENERGY: 4542400 773.5585 2115.9070 1920.4800 124.8755 -206000.1482 17680.3504 0.0000 0.0000 34247.2244 -149137.7523 299.0895 -183384.9767 -149044.9509 300.0268 24.3069 54.9389 557193.2091 -11.6601 -11.8985 PRESSURE: 4542600 187.674 36.8079 -9.93377 36.8098 367.059 97.3818 -9.9356 97.383 88.3174 GPRESSURE: 4542600 211.539 69.8964 69.8184 55.5215 354.557 122.272 0.472703 64.3184 182.432 PRESSAVG: 4542600 4.8674 61.6689 47.3748 61.6688 -37.6375 31.0475 47.3747 31.0473 65.0233 GPRESSAVG: 4542600 4.84909 61.7978 46.251 60.5489 -38.2651 32.2951 49.6491 30.3049 65.5248 TIMING: 4542600 CPU: 13489.2, 0.00295857/step Wall: 13489.2, 0.00295857/step, 0.375902 hours remaining, 210.269531 MB of memory in use. ENERGY: 4542600 728.8568 2043.9675 1935.9017 126.9904 -206673.5251 18175.5319 0.0000 0.0000 34224.0693 -149438.2075 298.8873 -183662.2768 -149332.5872 299.3251 214.3501 249.5094 556200.9533 10.7511 10.7029 PRESSURE: 4542800 181.274 118.579 -139.196 118.579 38.4973 -29.1409 -139.195 -29.1409 68.5526 GPRESSURE: 4542800 255.871 86.3956 -38.2461 113.805 62.5177 -11.1162 -115.355 -51.2823 69.682 PRESSAVG: 4542800 25.426 28.3789 5.33782 28.3789 -12.8684 -37.417 5.33788 -37.4169 5.76236 GPRESSAVG: 4542800 24.7739 29.8572 5.60007 27.4155 -13.1598 -36.1905 4.22845 -37.9179 6.60785 TIMING: 4542800 CPU: 13489.8, 0.00294504/step Wall: 13489.8, 0.00294504/step, 0.37402 hours remaining, 210.269531 MB of memory in use. ENERGY: 4542800 734.5332 2117.7955 1914.0869 108.4149 -206176.5129 17829.5620 0.0000 0.0000 34121.9844 -149350.1359 297.9958 -183472.1203 -149255.8747 299.0330 96.1078 129.3570 556653.1293 6.1067 6.0740 PRESSURE: 4543000 -160.095 14.3681 -122.133 14.3684 -32.1098 17.457 -122.133 17.4571 -71.6182 GPRESSURE: 4543000 -132.867 -4.51599 -173.981 39.7822 -30.6194 49.7674 -55.6057 -27.3276 -6.81018 PRESSAVG: 4543000 -3.82493 67.7743 -68.9669 67.7743 -20.9786 -16.6964 -68.9668 -16.6964 -2.1271 GPRESSAVG: 4543000 -3.01007 67.8135 -68.7855 68.8815 -21.1343 -20.9563 -67.739 -11.0238 -3.06351 TIMING: 4543000 CPU: 13490.4, 0.00295857/step Wall: 13490.4, 0.00295856/step, 0.375573 hours remaining, 210.269531 MB of memory in use. ENERGY: 4543000 713.1349 2081.1887 1931.8612 115.9723 -205897.7523 17519.7999 0.0000 0.0000 34168.5014 -149367.2939 298.4020 -183535.7953 -149268.6863 298.7080 -87.9412 -56.7656 556244.2310 -8.9769 -9.0693 PRESSURE: 4543200 195.634 226.899 86.7021 226.901 285.899 -29.3908 86.7029 -29.3906 135.644 GPRESSURE: 4543200 224.037 229.421 15.6737 160.918 338.787 -82.358 107.108 -0.823802 157.745 PRESSAVG: 4543200 2.4305 89.2336 -14.7867 89.2336 45.5976 -31.7562 -14.7868 -31.7562 -48.5468 GPRESSAVG: 4543200 1.94492 90.5048 -14.2805 86.0725 45.5951 -32.1164 -16.4704 -35.3534 -48.1414 TIMING: 4543200 CPU: 13491, 0.00297406/step Wall: 13491, 0.00297406/step, 0.377375 hours remaining, 210.269531 MB of memory in use. ENERGY: 4543200 750.5611 2086.7629 1912.2418 122.4048 -206731.6733 18280.3875 0.0000 0.0000 34304.0477 -149275.2676 299.5858 -183579.3153 -149187.9704 298.5228 205.7257 240.1894 557000.1194 -0.1729 -0.2004 PRESSURE: 4543400 -114.633 -16.8277 -188.92 -16.8283 -137.171 -50.5124 -188.92 -50.5137 -82.8759 GPRESSURE: 4543400 -65.7281 22.4712 -165.979 -2.91377 -109.988 -52.453 -188.824 -38.0779 -61.3164 PRESSAVG: 4543400 -31.4605 33.134 -36.1873 33.134 13.9788 63.8851 -36.1874 63.885 22.5349 GPRESSAVG: 4543400 -31.0047 32.789 -37.2972 34.1035 14.7995 65.4349 -34.9176 64.9505 21.6214 TIMING: 4543400 CPU: 13491.6, 0.00295672/step Wall: 13491.6, 0.00295673/step, 0.375011 hours remaining, 210.269531 MB of memory in use. ENERGY: 4543400 740.8424 2083.8874 1941.7851 107.5697 -205759.6899 17458.5004 0.0000 0.0000 34119.5613 -149307.5435 297.9746 -183427.1048 -149205.7287 298.6831 -111.5599 -79.0107 557071.6197 1.6844 1.8054 PRESSURE: 4543600 -5.73022 6.16518 8.6985 6.1644 -43.5813 -133.87 8.69928 -133.87 181.908 GPRESSURE: 4543600 -7.81961 -55.2981 -59.3242 95.4831 -32.5761 -115.479 -14.7659 -140.311 251.866 PRESSAVG: 4543600 -8.61411 35.1539 -14.7227 35.1539 32.1512 -5.85171 -14.7226 -5.85171 -35.2618 GPRESSAVG: 4543600 -8.53103 32.2893 -11.591 37.22 31.4524 -4.04583 -17.1701 -6.5465 -34.3485 TIMING: 4543600 CPU: 13492.1, 0.00293209/step Wall: 13492.1, 0.00293209/step, 0.371723 hours remaining, 210.269531 MB of memory in use. ENERGY: 4543600 734.0287 2143.4604 1919.3747 108.8368 -206067.1252 17713.5150 0.0000 0.0000 34036.9636 -149410.9460 297.2533 -183447.9095 -149307.7192 298.7342 44.1989 70.4901 557074.8649 -3.9082 -3.8090 PRESSURE: 4543800 28.5763 -263.666 -33.9255 -263.667 -16.8319 -97.8648 -33.9257 -97.8646 -62.2657 GPRESSURE: 4543800 64.5847 -301.495 -48.5387 -241.154 19.1335 -150.331 -48.9774 -95.2331 -39.0059 PRESSAVG: 4543800 -39.7038 -15.1444 3.95876 -15.1444 42.87 27.78 3.95868 27.7801 28.8283 GPRESSAVG: 4543800 -38.6477 -14.2062 2.3598 -17.1099 41.5904 28.5077 5.8454 28.7788 29.0066 TIMING: 4543800 CPU: 13492.7, 0.00293223/step Wall: 13492.7, 0.00293224/step, 0.371579 hours remaining, 210.269531 MB of memory in use. ENERGY: 4543800 744.3745 2086.6387 1907.4777 115.5881 -206285.2339 17697.4008 0.0000 0.0000 34043.0746 -149690.6794 297.3066 -183733.7541 -149591.0418 298.7165 -16.8405 14.9041 555862.8760 10.6648 10.6498 PRESSURE: 4544000 -310.794 -120.761 34.4178 -120.761 -169.896 19.7359 34.4172 19.7363 -345.086 GPRESSURE: 4544000 -265.22 -106.592 9.7063 -132.846 -132.906 8.61252 7.05868 8.44064 -314.943 PRESSAVG: 4544000 -53.9674 11.9172 -11.0839 11.9172 25.1131 -23.9876 -11.0839 -23.9876 57.0732 GPRESSAVG: 4544000 -55.555 13.4556 -10.5133 13.6909 26.8451 -25.9995 -13.3142 -24.7562 57.5188 TIMING: 4544000 CPU: 13493.3, 0.00291825/step Wall: 13493.3, 0.00291824/step, 0.369644 hours remaining, 210.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4544000 774.9634 2140.6947 1939.8821 114.1232 -206181.7045 17540.7124 0.0000 0.0000 34111.4751 -149559.8536 297.9040 -183671.3287 -149462.5871 298.6243 -275.2584 -237.6900 558281.8868 9.4063 9.6030 PRESSURE: 4544200 -152.392 -78.4734 -63.2335 -78.4729 -89.2256 81.3724 -63.2349 81.3731 61.5677 GPRESSURE: 4544200 -137.025 -61.2516 -38.0248 -71.7466 -51.501 81.1522 -19.4292 13.3305 106.979 PRESSAVG: 4544200 -42.7818 28.4509 9.63004 28.4509 23.9787 -14.7603 9.62994 -14.7603 -24.0604 GPRESSAVG: 4544200 -41.9655 30.2648 9.80659 26.7831 23.1944 -15.493 11.8224 -14.4521 -24.6937 TIMING: 4544200 CPU: 13493.9, 0.00290348/step Wall: 13493.9, 0.00290348/step, 0.367612 hours remaining, 210.269531 MB of memory in use. ENERGY: 4544200 706.3836 2105.4242 1921.1705 113.7045 -206477.6649 17876.3392 0.0000 0.0000 34214.8751 -149539.7678 298.8070 -183754.6429 -149446.5542 297.9061 -60.0166 -27.1823 558105.1242 -14.2878 -14.4883 LDB: ============= START OF LOAD BALANCING ============== 13497.4 LDB: ============== END OF LOAD BALANCING =============== 13497.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13497.4 LDB: ============= START OF LOAD BALANCING ============== 13497.7 LDB: Largest compute 4801 load 0.021003 is 17.8% of average load 0.118269 LDB: Average compute 0.001720 is 1.5% of average load 0.118269 LDB: TIME 13497.7 LOAD: AVG 0.118269 MAX 0.197035 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.891 MB LDB: TIME 13497.7 LOAD: AVG 0.118269 MAX 0.197035 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.953 MB LDB: TIME 13497.7 LOAD: AVG 0.118269 MAX 0.197035 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.953 MB LDB: ============== END OF LOAD BALANCING =============== 13497.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13497.7 PRESSURE: 4544400 157.59 -193.306 22.389 -193.306 175.634 94.5024 22.391 94.5028 126.471 GPRESSURE: 4544400 207.798 -219.396 25.083 -215.332 142.036 58.5784 49.6896 53.5355 213.123 PRESSAVG: 4544400 0.888658 -38.2106 -6.26153 -38.2106 11.7636 3.36588 -6.26152 3.36594 -33.0094 GPRESSAVG: 4544400 -1.25256 -40.2832 -4.89598 -36.7903 11.8764 2.23908 -6.94618 3.03286 -31.2387 TIMING: 4544400 CPU: 13494.5, 0.00299671/step Wall: 13494.5, 0.00299671/step, 0.379251 hours remaining, 209.945312 MB of memory in use. ENERGY: 4544400 737.1536 2060.5920 1911.0426 112.5226 -206869.8825 18262.1974 0.0000 0.0000 34395.7836 -149390.5907 300.3869 -183786.3743 -149289.6147 298.5969 153.2320 187.6521 557082.4584 -6.7857 -6.8716 PRESSURE: 4544600 178.01 -63.2286 -194.03 -63.2299 -135.489 37.2368 -194.029 37.2372 36.7184 GPRESSURE: 4544600 183.273 7.70886 -236.236 -44.2458 -70.445 68.3331 -118.251 -24.1142 70.1731 PRESSAVG: 4544600 8.56478 -12.6432 -39.0003 -12.6432 37.0694 -7.66051 -39.0002 -7.66048 -30.3905 GPRESSAVG: 4544600 9.39931 -12.3097 -40.0081 -11.6948 36.8105 -6.19772 -38.5199 -7.55371 -30.8481 TIMING: 4544600 CPU: 13495.1, 0.00292069/step Wall: 13495.1, 0.00292069/step, 0.369467 hours remaining, 209.945312 MB of memory in use. ENERGY: 4544600 730.2122 2074.2880 1927.1059 108.4448 -206035.0472 17732.9192 0.0000 0.0000 34206.6574 -149255.4198 298.7352 -183462.0772 -149153.6406 299.0327 26.4134 61.0003 557210.2901 5.0812 5.1206 PRESSURE: 4544800 -107.932 48.082 80.8413 48.0807 -30.971 159.771 80.8417 159.772 166.34 GPRESSURE: 4544800 -75.9842 124.387 87.155 39.8383 7.51318 118.4 112.065 163.218 204.003 PRESSAVG: 4544800 -20.9107 -10.4374 50.8935 -10.4374 -14.012 12.316 50.8934 12.3159 22.2729 GPRESSAVG: 4544800 -19.9695 -11.9219 49.0052 -11.1891 -13.0893 12.204 52.1628 12.8954 20.7988 TIMING: 4544800 CPU: 13495.7, 0.00291985/step Wall: 13495.7, 0.00291985/step, 0.369199 hours remaining, 209.945312 MB of memory in use. ENERGY: 4544800 769.3495 2064.2632 1927.9246 104.8669 -206040.0575 17712.3936 0.0000 0.0000 34360.0422 -149101.2175 300.0748 -183461.2597 -149008.7395 299.4849 9.1456 45.1775 556225.2699 -4.2166 -4.0867 PRESSURE: 4545000 -13.9021 30.7492 -36.9738 30.7487 -328.648 62.9026 -36.9744 62.9033 65.7043 GPRESSURE: 4545000 59.0602 12.1927 -77.6237 20.59 -286.69 52.0117 20.1132 0.515989 47.4717 PRESSAVG: 4545000 -15.4739 -11.114 3.72993 -11.1139 -69.0574 -26.9398 3.72993 -26.9399 87.2563 GPRESSAVG: 4545000 -16.3149 -10.064 3.50807 -10.2359 -70.0049 -29.4434 3.0836 -25.224 88.2189 TIMING: 4545000 CPU: 13496.2, 0.0029216/step Wall: 13496.2, 0.0029216/step, 0.369258 hours remaining, 209.945312 MB of memory in use. ENERGY: 4545000 753.4744 2125.0063 1900.2451 122.8513 -205691.2167 17453.0092 0.0000 0.0000 34088.3478 -149248.2825 297.7020 -183336.6303 -149153.1311 299.7336 -92.2819 -60.0528 556578.5202 0.9083 0.6330 PRESSURE: 4545200 -126.532 80.9468 74.0129 80.9461 -448.845 -197.667 74.0144 -197.667 -212.054 GPRESSURE: 4545200 -136.25 63.4183 146.555 21.6716 -404.015 -254.819 11.5201 -176.838 -146.519 PRESSAVG: 4545200 45.5067 -30.1724 20.0634 -30.1725 -52.26 -20.369 20.0635 -20.369 -19.1619 GPRESSAVG: 4545200 44.7078 -28.7173 20.619 -31.1751 -50.4194 -18.6238 17.3227 -21.0844 -20.1875 TIMING: 4545200 CPU: 13496.8, 0.00290382/step Wall: 13496.8, 0.00290382/step, 0.36685 hours remaining, 209.945312 MB of memory in use. ENERGY: 4545200 763.5314 2076.4802 1939.1719 117.6006 -205736.1115 17373.4306 0.0000 0.0000 34335.0470 -149130.8498 299.8565 -183465.8968 -149032.5960 299.3333 -262.4769 -228.9278 557459.5758 -8.6384 -8.6330 PRESSURE: 4545400 -152.518 144.845 -96.2238 144.845 -213.427 -201.369 -96.2247 -201.367 -325.873 GPRESSURE: 4545400 -172.903 164.441 -81.3871 79.2404 -113.483 -216.465 -51.6953 -166.254 -307.411 PRESSAVG: 4545400 45.8143 -26.591 31.9182 -26.591 -1.24307 -61.4448 31.9182 -61.4447 -44.6355 GPRESSAVG: 4545400 45.2 -26.2467 31.8858 -25.5314 -2.16605 -60.1452 35.018 -62.4725 -42.6952 TIMING: 4545400 CPU: 13497.4, 0.00290985/step Wall: 13497.4, 0.00290985/step, 0.367449 hours remaining, 209.945312 MB of memory in use. ENERGY: 4545400 748.5685 2103.4902 1932.7252 120.0212 -205829.5086 17437.8611 0.0000 0.0000 34254.0196 -149232.8228 299.1489 -183486.8424 -149146.4003 299.6397 -230.6058 -197.9323 556732.8177 -0.0214 0.1129 PRESSURE: 4545600 152.168 71.3782 95.1236 71.3787 -18.7618 107.13 95.125 107.131 208.563 GPRESSURE: 4545600 243.05 157.254 126.016 73.9495 6.55342 131.94 85.683 125.269 194.804 PRESSAVG: 4545600 10.5809 9.18966 20.237 9.18961 -12.401 -12.4441 20.237 -12.4441 35.7618 GPRESSAVG: 4545600 11.7965 7.73745 18.0833 8.05421 -12.9483 -12.4999 19.9588 -12.3203 35.3241 TIMING: 4545600 CPU: 13498, 0.00294523/step Wall: 13498, 0.00294523/step, 0.371753 hours remaining, 209.945312 MB of memory in use. ENERGY: 4545600 747.7102 2084.2806 1920.5709 106.6785 -206334.0791 17954.4435 0.0000 0.0000 34114.7358 -149405.6595 297.9325 -183520.3953 -149320.3673 298.5104 113.9895 148.1360 556809.1427 11.3139 11.3908 PRESSURE: 4545800 70.9277 72.1379 -38.598 72.1383 86.9319 -17.4633 -38.5977 -17.4616 160.434 GPRESSURE: 4545800 77.8438 80.552 -76.5077 99.9129 127.024 32.2776 38.8385 34.1202 192.525 PRESSAVG: 4545800 -26.8169 -28.9181 -31.1851 -28.9182 -52.521 -39.8007 -31.185 -39.8007 112.102 GPRESSAVG: 4545800 -27.8432 -27.919 -27.422 -27.4535 -52.4779 -40.4905 -34.1599 -39.9042 112.937 TIMING: 4545800 CPU: 13498.6, 0.00292538/step Wall: 13498.6, 0.00292538/step, 0.369085 hours remaining, 209.945312 MB of memory in use. ENERGY: 4545800 729.6630 2059.0773 1939.8144 121.2543 -206663.3990 18088.4129 0.0000 0.0000 34232.3451 -149492.8319 298.9596 -183725.1770 -149393.8382 299.0808 106.0979 132.4643 555562.8585 10.9214 10.8720 PRESSURE: 4546000 -46.114 71.1684 -18.9883 71.1686 -104.055 -162.636 -18.9877 -162.638 111.141 GPRESSURE: 4546000 -14.959 85.467 -49.4878 69.6884 -105.72 -156.336 6.82031 -160.008 187.841 PRESSAVG: 4546000 8.03954 -5.6572 -27.3206 -5.65736 -61.1463 -7.07527 -27.3206 -7.0753 5.81999 GPRESSAVG: 4546000 8.29373 -4.92455 -28.9046 -8.53006 -61.2737 -6.6033 -25.1374 -7.85678 5.5691 TIMING: 4546000 CPU: 13499.2, 0.00291736/step Wall: 13499.2, 0.00291736/step, 0.367912 hours remaining, 209.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4546000 763.6111 2053.2036 1916.1846 123.7009 -206025.9990 17797.7978 0.0000 0.0000 34081.5152 -149289.9859 297.6423 -183371.5011 -149194.7940 298.7307 -13.0091 22.3875 557971.4242 -15.7623 -15.8036 PRESSURE: 4546200 23.0235 -32.1508 -136.749 -32.1513 -183.172 201.942 -136.748 201.942 88.4856 GPRESSURE: 4546200 7.90752 -64.9893 -81.8767 -8.89052 -127.061 191.885 -151.17 105.161 149.576 PRESSAVG: 4546200 52.6358 -4.25769 -45.9295 -4.25764 -67.108 4.82529 -45.9295 4.82529 4.78101 GPRESSAVG: 4546200 52.8339 -4.65219 -47.9576 -2.83096 -66.5899 5.85903 -44.5707 6.47018 4.0389 TIMING: 4546200 CPU: 13499.8, 0.00295086/step Wall: 13499.8, 0.00295086/step, 0.371972 hours remaining, 209.945312 MB of memory in use. ENERGY: 4546200 744.8838 2016.2350 1937.9558 106.2710 -206130.5367 17775.6553 0.0000 0.0000 34294.7582 -149254.7775 299.5047 -183549.5357 -149159.1447 299.3984 -23.8877 10.1408 557459.8342 -3.2304 -3.2391 PRESSURE: 4546400 215.466 75.0502 -9.02759 75.0497 258.321 46.1085 -9.02842 46.1075 433.164 GPRESSURE: 4546400 257.145 84.721 -125.999 72.7588 236.156 25.944 -13.6321 25.7556 503.51 PRESSAVG: 4546400 -47.8779 -32.2751 -64.2435 -32.2751 -27.8008 39.1428 -64.2435 39.1427 87.5364 GPRESSAVG: 4546400 -48.7455 -35.9318 -61.6982 -30.9969 -27.2441 38.3104 -65.086 37.7679 87.4874 TIMING: 4546400 CPU: 13500.3, 0.0029452/step Wall: 13500.3, 0.0029452/step, 0.371095 hours remaining, 209.945312 MB of memory in use. ENERGY: 4546400 750.9542 2029.7440 1937.9809 112.2347 -206689.7872 18301.0148 0.0000 0.0000 34355.9073 -149201.9513 300.0387 -183557.8586 -149110.3598 299.4739 302.3171 332.2702 557604.4407 3.9525 3.8326 PRESSURE: 4546600 -138.964 -98.6569 47.152 -98.6566 -188.668 160.323 47.1521 160.32 8.35206 GPRESSURE: 4546600 -80.8581 -21.3055 71.3532 -145.184 -158.079 271.509 67.4386 112.811 25.1759 PRESSAVG: 4546600 6.364 27.2643 23.4567 27.2644 35.2776 2.30915 23.4567 2.30919 -15.7167 GPRESSAVG: 4546600 7.89704 28.8361 24.6603 26.7478 34.4887 4.61968 22.1342 1.15265 -16.8523 TIMING: 4546600 CPU: 13500.9, 0.00293771/step Wall: 13500.9, 0.00293771/step, 0.369989 hours remaining, 209.945312 MB of memory in use. ENERGY: 4546600 769.4399 2073.3495 1937.6146 113.9927 -206502.4891 17876.9270 0.0000 0.0000 34366.9717 -149364.1937 300.1353 -183731.1654 -149259.9469 299.4112 -106.4266 -71.2536 556592.8783 8.6416 8.5111 PRESSURE: 4546800 60.3389 -59.9383 -9.59455 -59.9403 -44.5173 -7.57385 -9.59408 -7.57395 245.383 GPRESSURE: 4546800 50.3509 -45.9384 -52.1775 -125.887 16.3722 70.9927 -77.4004 -16.7136 290.608 PRESSAVG: 4546800 31.8454 -19.1792 52.6405 -19.1792 3.11863 -14.8721 52.6404 -14.872 -11.177 GPRESSAVG: 4546800 30.6929 -16.7296 53.1549 -18.9262 3.15551 -17.34 52.3259 -12.1693 -9.88432 TIMING: 4546800 CPU: 13501.5, 0.00294246/step Wall: 13501.5, 0.00294246/step, 0.370423 hours remaining, 209.945312 MB of memory in use. ENERGY: 4546800 729.3939 2116.4020 1891.2131 105.4376 -205801.5902 17776.3858 0.0000 0.0000 34078.5080 -149104.2499 297.6161 -183182.7578 -149010.0672 299.6417 87.0683 119.1104 557097.2036 7.9290 7.9880 PRESSURE: 4547000 -112.211 -123.143 31.6386 -123.143 38.0225 55.8381 31.6391 55.8361 249.207 GPRESSURE: 4547000 -58.0718 -135.02 -34.38 -81.0007 42.6307 11.9827 51.7984 118.082 293.757 PRESSAVG: 4547000 -60.4764 -25.8356 49.6908 -25.8358 -1.92694 -62.5366 49.6908 -62.5368 100.764 GPRESSAVG: 4547000 -59.986 -28.622 47.2745 -25.9174 -1.94282 -61.7496 51.3524 -63.7912 100.114 TIMING: 4547000 CPU: 13502.1, 0.00293297/step Wall: 13502.1, 0.00293297/step, 0.369065 hours remaining, 209.945312 MB of memory in use. ENERGY: 4547000 741.7574 2122.9328 1957.5266 122.2751 -206183.0971 17794.6136 0.0000 0.0000 34308.2191 -149135.7725 299.6222 -183443.9916 -149041.7691 299.4317 58.3393 92.7719 555508.1955 12.7868 12.7285 PRESSURE: 4547200 209.385 174.153 69.2162 174.154 8.81643 -212.833 69.2175 -212.834 88.3216 GPRESSURE: 4547200 332.277 138.366 45.5609 200.238 14.5113 -176.477 59.8334 -256.743 58.9357 PRESSAVG: 4547200 -78.024 34.3971 38.6978 34.397 7.66311 3.38174 38.6978 3.38177 39.0447 GPRESSAVG: 4547200 -77.5555 34.5741 39.8072 34.8609 7.96 2.48365 36.5068 3.99384 38.3124 TIMING: 4547200 CPU: 13502.7, 0.00295017/step Wall: 13502.7, 0.00295017/step, 0.371066 hours remaining, 209.945312 MB of memory in use. ENERGY: 4547200 755.0485 2113.4887 1915.5621 115.5605 -206328.9644 17957.3734 0.0000 0.0000 34289.8399 -149182.0913 299.4617 -183471.9312 -149088.0877 299.4526 102.1742 135.2413 555944.7826 -10.4387 -10.4277 PRESSURE: 4547400 -401.196 90.9303 -30.8476 90.9309 232.364 -104.789 -30.849 -104.789 124.872 GPRESSURE: 4547400 -411.333 141.06 -83.1759 44.3985 341.688 -104.455 26.96 -21.1759 123.106 PRESSAVG: 4547400 -32.1567 -44.2028 42.7713 -44.2027 21.8668 -24.9939 42.7714 -24.9939 16.4983 GPRESSAVG: 4547400 -31.3544 -42.6056 42.1635 -43.6951 20.3232 -23.3912 44.0383 -25.915 17.36 TIMING: 4547400 CPU: 13503.3, 0.00293906/step Wall: 13503.3, 0.00293906/step, 0.369505 hours remaining, 209.945312 MB of memory in use. ENERGY: 4547400 758.9405 2125.5830 1921.6345 105.1544 -205735.6648 17638.3841 0.0000 0.0000 34270.4275 -148915.5408 299.2922 -183185.9683 -148824.7449 299.7267 -14.6535 17.8204 557020.7307 2.0695 2.1096 PRESSURE: 4547600 112.336 -183.733 48.3574 -183.733 71.1269 -136.125 48.3569 -136.124 -127.724 GPRESSURE: 4547600 127.411 -151.609 110.049 -151.833 98.7528 -127.394 -39.0227 -128.188 -69.1423 PRESSAVG: 4547600 40.2663 -19.6696 -75.7827 -19.6696 12.8598 -31.1097 -75.7828 -31.1097 -24.7639 GPRESSAVG: 4547600 37.9081 -21.8889 -76.0963 -21.1012 14.6284 -32.303 -75.9576 -31.1269 -24.0369 TIMING: 4547600 CPU: 13503.9, 0.00295353/step Wall: 13503.9, 0.00295353/step, 0.371161 hours remaining, 209.945312 MB of memory in use. ENERGY: 4547600 728.0017 2077.9393 1921.5445 124.8027 -205714.1247 17539.0695 0.0000 0.0000 34500.2578 -148822.5092 301.2993 -183322.7669 -148718.7292 300.4363 18.5795 52.3406 555172.4575 9.4541 9.4999 PRESSURE: 4547800 -69.2344 31.0545 -1.34951 31.0546 105.908 2.08622 -1.35027 2.08649 74.3474 GPRESSURE: 4547800 7.38064 61.7143 5.69067 27.8047 75.8325 -47.3127 29.7212 24.0578 124.303 PRESSAVG: 4547800 8.4969 17.8505 25.4436 17.8506 -28.7638 -32.3049 25.4435 -32.305 6.79687 GPRESSAVG: 4547800 11.4232 19.6538 24.1467 17.7975 -30.9292 -32.3998 26.7883 -31.0766 5.72989 TIMING: 4547800 CPU: 13504.5, 0.00294367/step Wall: 13504.5, 0.00294367/step, 0.369758 hours remaining, 209.945312 MB of memory in use. ENERGY: 4547800 786.6092 2083.9101 1923.6059 123.5264 -205747.8983 17670.6563 0.0000 0.0000 34349.6142 -148809.9763 299.9837 -183159.5904 -148708.5884 300.3679 37.0071 69.1721 555905.3487 -4.4900 -4.5920 PRESSURE: 4548000 -219.097 15.0477 -12.2867 15.0473 -110.272 37.0428 -12.2868 37.0418 9.23483 GPRESSURE: 4548000 -158.016 19.8661 -39.9901 -0.839886 -103.233 54.4471 8.57365 64.7771 55.0361 PRESSAVG: 4548000 61.9564 40.5142 -19.3705 40.5142 0.663217 -18.2068 -19.3704 -18.2068 -90.7169 GPRESSAVG: 4548000 61.0025 41.396 -17.7859 38.7452 2.15491 -20.7268 -18.9772 -15.6401 -91.6859 TIMING: 4548000 CPU: 13505.1, 0.00294467/step Wall: 13505.1, 0.00294467/step, 0.36972 hours remaining, 209.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4548000 763.1479 2103.1330 1940.7103 119.6334 -205903.1176 17649.4787 0.0000 0.0000 34415.5608 -148911.4534 300.5597 -183327.0142 -148813.9911 300.7973 -106.7113 -68.7378 556434.7563 -9.3658 -9.5095 PRESSURE: 4548200 14.373 -335.785 21.1354 -335.786 -66.0791 -8.37038 21.135 -8.37007 202.567 GPRESSURE: 4548200 99.7266 -280.854 34.2847 -357.164 -20.7938 -25.7466 -7.64866 -82.9163 173.475 PRESSAVG: 4548200 -27.4569 -34.2142 -6.26213 -34.2142 90.3961 -29.5798 -6.26219 -29.5798 2.36581 GPRESSAVG: 4548200 -28.0357 -34.5687 -5.98503 -31.8433 88.4349 -27.337 -5.85184 -32.2178 4.65073 TIMING: 4548200 CPU: 13505.6, 0.00293578/step Wall: 13505.6, 0.00293578/step, 0.36844 hours remaining, 209.945312 MB of memory in use. ENERGY: 4548200 792.4111 2118.8184 1956.2923 102.9623 -206210.2978 17964.4857 0.0000 0.0000 34380.5129 -148894.8151 300.2536 -183275.3280 -148799.9161 300.9996 50.2868 84.1359 556401.2543 21.7683 21.6833 LDB: ============= START OF LOAD BALANCING ============== 13509.2 LDB: ============== END OF LOAD BALANCING =============== 13509.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13509.2 LDB: ============= START OF LOAD BALANCING ============== 13509.5 LDB: Largest compute 4801 load 0.021975 is 18.6% of average load 0.118309 LDB: Average compute 0.001731 is 1.5% of average load 0.118309 LDB: TIME 13509.5 LOAD: AVG 0.118309 MAX 0.197278 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.461 MB LDB: TIME 13509.5 LOAD: AVG 0.118309 MAX 0.197278 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.461 MB LDB: TIME 13509.5 LOAD: AVG 0.118309 MAX 0.197278 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.461 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13509.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13509.5 PRESSURE: 4548400 14.8277 26.7648 -132.353 26.7655 -196.097 -63.722 -132.355 -63.7215 -99.1853 GPRESSURE: 4548400 61.3067 76.1253 -130.839 65.7698 -119.964 -43.0347 -110.939 -1.94126 -126.734 PRESSAVG: 4548400 -20.6976 -51.0485 -46.7906 -51.0484 -23.1675 -33.2608 -46.7906 -33.2608 55.9268 GPRESSAVG: 4548400 -19.689 -51.0886 -47.2096 -54.1773 -20.8318 -31.9634 -48.8612 -34.4577 52.5524 TIMING: 4548400 CPU: 13506.2, 0.00299322/step Wall: 13506.2, 0.00299322/step, 0.375483 hours remaining, 209.230469 MB of memory in use. ENERGY: 4548400 793.8257 2110.7435 1955.6344 100.6303 -206304.8496 17896.2801 0.0000 0.0000 34314.3511 -149133.3844 299.6758 -183447.7355 -149038.6569 300.5660 -93.4847 -61.7968 557211.0324 4.0206 4.0105 PRESSURE: 4548600 54.6342 -148.236 -86.2178 -148.236 -78.4697 -31.1099 -86.2171 -31.1115 -39.4223 GPRESSURE: 4548600 51.117 -138.131 -144.89 -179.899 -9.39365 -61.6785 -117.562 5.94401 3.42585 PRESSAVG: 4548600 -4.7752 1.90474 -27.1205 1.90478 51.7146 14.0133 -27.1206 14.0134 -31.7295 GPRESSAVG: 4548600 -4.18711 0.202789 -26.175 4.91252 50.2135 14.5709 -25.3311 14.1031 -30.8049 TIMING: 4548600 CPU: 13506.8, 0.00289577/step Wall: 13506.8, 0.00289577/step, 0.363098 hours remaining, 209.296875 MB of memory in use. ENERGY: 4548600 756.8693 2098.6713 1951.2275 111.1782 -205799.8201 17660.4453 0.0000 0.0000 34104.7030 -149116.7256 297.8449 -183221.4285 -149029.8321 299.2154 -21.0859 15.0497 556567.4560 5.0700 5.0738 PRESSURE: 4548800 108.824 56.5478 -34.6342 56.5483 -130.507 38.3399 -34.6342 38.3404 -46.3875 GPRESSURE: 4548800 99.633 40.1658 -99.0979 63.5826 -31.6625 17.9392 15.6573 -41.7032 -28.1677 PRESSAVG: 4548800 43.0999 11.4207 -38.0589 11.4208 21.2973 -18.6626 -38.0589 -18.6625 -46.7827 GPRESSAVG: 4548800 41.9797 12.8114 -40.7912 10.6127 20.9257 -20.9899 -38.7936 -17.1165 -45.4245 TIMING: 4548800 CPU: 13507.4, 0.00290676/step Wall: 13507.4, 0.00290676/step, 0.364314 hours remaining, 209.296875 MB of memory in use. ENERGY: 4548800 749.0412 2092.7345 1940.3177 107.8827 -206259.0025 17874.3277 0.0000 0.0000 34322.7911 -149171.9077 299.7495 -183494.6988 -149067.7712 299.4932 -22.6902 13.2676 556998.0072 5.8715 5.8270 PRESSURE: 4549000 -175.432 35.0907 -74.6178 35.0913 -109.97 86.4898 -74.617 86.4895 -183.46 GPRESSURE: 4549000 -97.2921 49.5264 -170.184 43.1841 -117.035 -14.9336 24.4994 194.149 -146.592 PRESSAVG: 4549000 37.9252 -25.2669 -27.0486 -25.2669 27.6589 9.15262 -27.0486 9.15265 -105.232 GPRESSAVG: 4549000 37.6803 -25.7527 -24.0743 -24.3215 27.7323 9.97314 -27.5353 8.67684 -105.522 TIMING: 4549000 CPU: 13508, 0.00295144/step Wall: 13508, 0.00295144/step, 0.36975 hours remaining, 209.296875 MB of memory in use. ENERGY: 4549000 748.5476 2031.8061 1954.5812 115.0989 -206168.2500 17813.1546 0.0000 0.0000 34325.2552 -149179.8065 299.7710 -183505.0617 -149078.9948 299.5528 -156.2872 -120.3063 558602.1541 -13.2160 -13.3699 PRESSURE: 4549200 -183.995 -22.5463 215.269 -22.5455 -166.466 41.1755 215.269 41.1775 49.9005 GPRESSURE: 4549200 -130.385 20.155 250.921 -24.9593 -98.4569 33.2288 178.54 66.5667 29.5468 PRESSAVG: 4549200 11.2512 13.2395 -18.6566 13.2397 -9.62527 21.7893 -18.6566 21.7893 10.5917 GPRESSAVG: 4549200 12.4887 13.9444 -18.9919 11.5668 -10.7013 21.1805 -19.9561 21.3931 10.2981 TIMING: 4549200 CPU: 13508.6, 0.00292904/step Wall: 13508.6, 0.00292904/step, 0.366781 hours remaining, 209.296875 MB of memory in use. ENERGY: 4549200 780.8962 2113.3231 1922.8707 107.3364 -206009.3444 17758.6734 0.0000 0.0000 34107.7617 -149218.4829 297.8716 -183326.2446 -149125.2327 298.5672 -100.1869 -66.4319 557634.2029 4.0725 4.0285 PRESSURE: 4549400 -86.0387 -113.553 -24.8438 -113.553 -34.6069 65.4728 -24.8438 65.4728 82.1834 GPRESSURE: 4549400 -62.1237 -53.505 -35.0083 -143.188 -30.6261 119.798 -26.4068 -54.36 142.815 PRESSAVG: 4549400 40.1687 -36.8331 2.09255 -36.8331 -50.3258 -2.82884 2.09255 -2.82892 9.53027 GPRESSAVG: 4549400 39.3309 -38.145 4.07001 -35.6619 -50.2039 -4.3908 1.44764 -1.05122 10.316 TIMING: 4549400 CPU: 13509.2, 0.00292413/step Wall: 13509.2, 0.00292413/step, 0.366003 hours remaining, 209.296875 MB of memory in use. ENERGY: 4549400 764.5418 2103.8647 1950.0084 120.1332 -206009.3637 17767.9012 0.0000 0.0000 34118.5329 -149184.3815 297.9656 -183302.9144 -149085.9363 298.9982 -12.8207 16.6883 559191.9814 -0.2089 -0.1857 PRESSURE: 4549600 -67.5198 -96.767 36.6672 -96.7672 -230.772 -27.0331 36.667 -27.0329 -114.21 GPRESSURE: 4549600 -7.59412 -31.4464 63.0639 -119.154 -231.395 -13.5646 34.2972 -27.249 -58.8914 PRESSAVG: 4549600 6.94821 -45.957 -10.1923 -45.957 -53.7139 -32.1052 -10.1923 -32.1052 50.021 GPRESSAVG: 4549600 6.2023 -46.5187 -11.0791 -45.1029 -53.118 -30.6965 -9.19416 -32.8867 49.8442 TIMING: 4549600 CPU: 13509.8, 0.00296348/step Wall: 13509.8, 0.00296348/step, 0.370764 hours remaining, 209.296875 MB of memory in use. ENERGY: 4549600 727.5395 2059.6487 1963.3453 109.9040 -205761.9790 17519.4747 0.0000 0.0000 34336.0669 -149046.0000 299.8654 -183382.0669 -148950.1549 299.5225 -137.5006 -99.2936 558590.3683 1.0851 0.9762 PRESSURE: 4549800 66.3674 -90.1625 -27.4614 -90.1631 -102.307 55.0785 -27.4613 55.0786 96.9213 GPRESSURE: 4549800 56.5003 -53.6333 -4.79217 -129.178 -57.9908 -6.68421 7.14757 125.851 158.846 PRESSAVG: 4549800 35.7248 13.7764 55.6445 13.7765 -30.2555 -22.4678 55.6444 -22.4678 -30.3925 GPRESSAVG: 4549800 36.8965 14.1907 54.4074 13.5137 -30.0571 -20.7333 57.1688 -23.4314 -32.1132 TIMING: 4549800 CPU: 13510.3, 0.00295965/step Wall: 13510.3, 0.00295965/step, 0.370121 hours remaining, 209.296875 MB of memory in use. ENERGY: 4549800 771.2354 2105.3045 1948.6458 108.4627 -206055.8898 17722.3033 0.0000 0.0000 34454.1347 -148945.8034 300.8965 -183399.9382 -148848.3807 300.3510 20.3271 52.4517 557427.9234 -8.3077 -8.4246 PRESSURE: 4550000 -57.2416 32.95 -141.959 32.9492 -57.1813 -46.5219 -141.958 -46.5214 234.034 GPRESSURE: 4550000 8.62462 19.624 -136.181 23.8507 -4.31552 -20.3066 -95.5184 -131.773 220.126 PRESSAVG: 4550000 27.7277 -15.795 -7.53141 -15.795 -10.5388 73.7152 -7.5315 73.7151 -4.53935 GPRESSAVG: 4550000 27.5361 -16.5457 -7.17467 -15.8318 -10.2649 71.68 -8.05411 74.0866 -4.61188 TIMING: 4550000 CPU: 13510.9, 0.00294283/step Wall: 13510.9, 0.00294283/step, 0.367854 hours remaining, 209.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4550000 758.9318 2144.5434 1919.5824 115.4717 -206190.8716 17891.5072 0.0000 0.0000 34394.0913 -148966.7438 300.3722 -183360.8351 -148872.8067 300.4745 39.8702 74.8118 557543.6828 4.2165 4.2198 PRESSURE: 4550200 -86.5418 89.0707 -40.6741 89.071 4.9843 -144.942 -40.674 -144.942 -28.9505 GPRESSURE: 4550200 -41.8482 160.284 -42.9916 51.5574 60.1614 -8.14138 -71.202 -168.553 -27.8488 PRESSAVG: 4550200 34.2097 24.3707 -9.08795 24.3708 -55.926 -58.7945 -9.08798 -58.7946 21.0619 GPRESSAVG: 4550200 33.7964 27.0327 -7.36765 23.5766 -56.2806 -57.1281 -8.64303 -61.6625 22.0374 TIMING: 4550200 CPU: 13511.5, 0.00294123/step Wall: 13511.5, 0.00294123/step, 0.36749 hours remaining, 209.296875 MB of memory in use. ENERGY: 4550200 749.3667 2041.2965 1944.3988 127.3063 -205751.3702 17673.5426 0.0000 0.0000 34235.9352 -148979.5240 298.9909 -183215.4592 -148876.3714 300.5808 -36.8360 -3.1785 558202.1603 -0.2181 -0.1489 PRESSURE: 4550400 -42.17 -228.493 -79.2801 -228.492 80.0564 72.9292 -79.2808 72.9303 55.9258 GPRESSURE: 4550400 9.96189 -224.263 -29.7411 -209.979 119.726 -5.66392 -113.304 164.84 55.4486 PRESSAVG: 4550400 -2.1657 35.795 -21.747 35.795 -6.71434 58.9487 -21.747 58.9486 36.3906 GPRESSAVG: 4550400 -2.28597 34.3162 -23.2072 35.8662 -5.73066 57.614 -23.206 60.53 35.2707 TIMING: 4550400 CPU: 13512.1, 0.00294609/step Wall: 13512.1, 0.00294609/step, 0.367934 hours remaining, 209.296875 MB of memory in use. ENERGY: 4550400 757.7674 2087.2461 1932.1251 119.8843 -206017.9375 17708.1409 0.0000 0.0000 34438.9794 -148973.7944 300.7642 -183412.7738 -148870.8602 300.0925 31.2707 61.7120 555754.0425 9.1702 9.0847 PRESSURE: 4550600 -64.0687 28.0392 -214.688 28.0389 -74.3409 113.356 -214.689 113.356 88.0691 GPRESSURE: 4550600 -23.7527 137.201 -166.309 -114.424 -6.96366 206.241 -148.116 6.90629 84.311 PRESSAVG: 4550600 -21.4428 10.2121 19.9324 10.2121 24.3312 -13.3667 19.9324 -13.3667 -4.23407 GPRESSAVG: 4550600 -19.4046 9.26146 21.4769 11.6941 22.3323 -12.3526 19.8121 -14.1974 -4.51884 TIMING: 4550600 CPU: 13512.7, 0.00295242/step Wall: 13512.7, 0.00295243/step, 0.368561 hours remaining, 209.296875 MB of memory in use. ENERGY: 4550600 694.7714 2135.9399 1932.8735 98.4620 -205925.3999 17696.4913 0.0000 0.0000 34425.1177 -148941.7441 300.6431 -183366.8618 -148842.0602 299.5973 -16.7802 17.8649 556679.7219 -0.4486 -0.5304 PRESSURE: 4550800 -260.078 79.1751 -5.67774 79.1736 -173.079 136.578 -5.67689 136.578 -41.5258 GPRESSURE: 4550800 -196.663 96.6358 -37.8877 63.0204 -132.31 206.939 -29.5251 147.447 -52.2107 PRESSAVG: 4550800 -9.62766 22.952 -64.1002 22.9519 40.2001 -12.6788 -64.1002 -12.6789 -24.2577 GPRESSAVG: 4550800 -10.16 23.628 -64.1156 22.0148 40.9265 -11.4645 -65.2871 -12.4527 -23.8385 TIMING: 4550800 CPU: 13513.3, 0.00295525/step Wall: 13513.3, 0.00295525/step, 0.368749 hours remaining, 209.296875 MB of memory in use. ENERGY: 4550800 782.7095 2086.4272 1958.1546 114.6797 -205704.7091 17612.3748 0.0000 0.0000 34223.1806 -148927.1828 298.8795 -183150.3633 -148831.8083 299.4197 -158.2275 -127.0613 558809.5934 2.1049 2.3093 PRESSURE: 4551000 -81.0057 46.9203 0.307754 46.9185 -227.793 34.4361 0.306741 34.4367 -42.3743 GPRESSURE: 4551000 -55.8427 147.619 -93.4402 -24.7903 -233.832 -40.9651 46.9104 59.9373 34.3138 PRESSAVG: 4551000 21.7327 51.0319 -57.6227 51.032 -18.7278 2.10005 -57.6226 2.10005 32.5191 GPRESSAVG: 4551000 21.805 50.1961 -57.6098 51.6139 -17.9816 0.95983 -55.3445 4.56907 31.9068 TIMING: 4551000 CPU: 13513.9, 0.0029678/step Wall: 13513.9, 0.0029678/step, 0.370151 hours remaining, 209.296875 MB of memory in use. ENERGY: 4551000 798.8715 2090.7509 1939.4182 112.6826 -205986.7997 17867.3032 0.0000 0.0000 34203.9758 -148973.7976 298.7118 -183177.7734 -148876.5098 299.5248 -117.0577 -85.1204 558574.5440 11.8414 11.9101 PRESSURE: 4551200 -211.171 -24.6572 19.1563 -24.6583 -38.2014 -98.3771 19.1554 -98.377 -145.462 GPRESSURE: 4551200 -150.504 40.0299 28.4578 -85.3616 -31.1692 -27.8935 94.3965 -133.283 -98.8961 PRESSAVG: 4551200 -88.0665 -27.1807 9.10972 -27.1808 21.9454 19.2588 9.10976 19.2588 12.3351 GPRESSAVG: 4551200 -86.8005 -24.5037 8.62273 -27.4703 20.0056 18.1842 7.37442 17.3433 13.1907 TIMING: 4551200 CPU: 13514.5, 0.00298377/step Wall: 13514.5, 0.00298377/step, 0.371976 hours remaining, 209.296875 MB of memory in use. ENERGY: 4551200 763.5612 2090.8695 1945.1048 118.2792 -206036.1185 17587.9803 0.0000 0.0000 34486.7880 -149043.5355 301.1817 -183530.3235 -148945.3343 299.3010 -131.6113 -93.5232 557767.1279 -17.9287 -17.8680 PRESSURE: 4551400 -115.038 -49.1459 -1.65522 -49.1456 -42.5434 102.487 -1.65623 102.486 160.213 GPRESSURE: 4551400 -83.2334 -109.207 -34.203 -11.7375 18.8419 121.901 70.9627 72.8219 160.843 PRESSAVG: 4551400 -47.0081 -4.36362 -0.14018 -4.36356 28.3293 17.0218 -0.14008 17.0219 5.89745 GPRESSAVG: 4551400 -49.2745 -6.49986 0.449176 -4.78126 29.8765 17.3455 -0.793548 18.0024 5.90385 TIMING: 4551400 CPU: 13515.1, 0.002939/step Wall: 13515.1, 0.002939/step, 0.366232 hours remaining, 209.296875 MB of memory in use. ENERGY: 4551400 726.3071 2129.3479 1906.6900 106.3854 -205835.8673 17559.4529 0.0000 0.0000 34261.0583 -149146.6257 299.2103 -183407.6840 -149034.0050 299.4370 0.8774 32.1504 555919.1164 -4.2604 -4.4980 PRESSURE: 4551600 -214.143 -112.238 -102.223 -112.238 -86.5535 -17.6013 -102.224 -17.6022 -274.937 GPRESSURE: 4551600 -143.213 -45.8481 -139.685 -133.953 -61.9778 50.7339 -188.655 -44.4643 -267.684 PRESSAVG: 4551600 -27.6666 23.1015 12.3159 23.1015 36.3133 28.7807 12.3159 28.7808 40.1922 GPRESSAVG: 4551600 -26.4991 22.7194 10.0917 24.0489 33.8308 28.8625 13.1612 28.7016 41.8071 TIMING: 4551600 CPU: 13515.7, 0.00292253/step Wall: 13515.7, 0.00292253/step, 0.364017 hours remaining, 209.296875 MB of memory in use. ENERGY: 4551600 786.7949 2108.4046 1934.0256 97.8553 -206198.5497 17755.1822 0.0000 0.0000 34329.7431 -149186.5440 299.8102 -183516.2871 -149088.8049 299.7834 -191.8777 -157.6250 556780.7282 16.2796 16.3796 PRESSURE: 4551800 28.2884 142.437 -85.232 142.437 -80.8327 60.2257 -85.2318 60.225 -54.2523 GPRESSURE: 4551800 69.601 146.086 -65.0074 206.795 -7.42641 145.463 4.18767 2.99723 -73.4159 PRESSAVG: 4551800 -10.0176 -13.6125 -14.0741 -13.6125 -61.1692 86.2592 -14.0741 86.2591 28.6719 GPRESSAVG: 4551800 -9.24302 -14.0482 -12.9026 -14.061 -59.7912 84.5672 -14.2327 85.384 26.8113 TIMING: 4551800 CPU: 13516.2, 0.00292475/step Wall: 13516.2, 0.00292475/step, 0.364131 hours remaining, 209.296875 MB of memory in use. ENERGY: 4551800 751.8433 2125.1542 1912.5374 111.5179 -205973.0653 17601.5134 0.0000 0.0000 34275.2336 -149195.2657 299.3341 -183470.4992 -149096.9645 298.9180 -35.5989 -3.7471 556333.1951 -14.1716 -14.0743 PRESSURE: 4552000 148.322 -59.1684 -4.03292 -59.1689 96.4582 -112.283 -4.03268 -112.282 86.7502 GPRESSURE: 4552000 151.751 -115.983 -25.7557 -61.7192 181.603 -48.2567 -60.9096 -103.195 103.616 PRESSAVG: 4552000 -70.3239 30.5137 -5.35586 30.5137 19.5367 28.6103 -5.35593 28.6104 56.7336 GPRESSAVG: 4552000 -70.8413 31.6494 -5.32606 29.9039 19.5652 32.1204 -4.48256 28.4592 57.6574 TIMING: 4552000 CPU: 13516.8, 0.00292818/step Wall: 13516.8, 0.00292818/step, 0.364396 hours remaining, 209.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4552000 737.8560 2080.4812 1916.5829 125.3778 -206318.4325 17965.8699 0.0000 0.0000 34291.4124 -149200.8523 299.4754 -183492.2647 -149112.1022 299.3291 110.5100 145.6564 556089.0646 1.9821 2.1271 PRESSURE: 4552200 -50.9413 -27.4674 21.2869 -27.469 -225.732 -78.8491 21.2875 -78.8477 -63.403 GPRESSURE: 4552200 -17.8257 8.36505 76.6808 -80.2124 -137.717 -87.7316 36.6575 -62.4003 -90.0644 PRESSAVG: 4552200 -4.63431 4.30551 32.6907 4.30551 -11.2864 -34.096 32.6907 -34.096 -3.12653 GPRESSAVG: 4552200 -4.71625 4.74885 30.0322 3.33139 -11.3112 -35.4063 33.5104 -33.8457 -2.78132 TIMING: 4552200 CPU: 13517.4, 0.00297542/step Wall: 13517.4, 0.00297542/step, 0.370109 hours remaining, 209.296875 MB of memory in use. ENERGY: 4552200 744.4053 2117.0974 1911.7540 98.1720 -205943.9899 17517.8004 0.0000 0.0000 34135.4573 -149419.3036 298.1134 -183554.7609 -149325.4875 299.6127 -113.3588 -81.8691 557693.5475 -6.3491 -6.2696 LDB: ============= START OF LOAD BALANCING ============== 13521 LDB: ============== END OF LOAD BALANCING =============== 13521 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13521 LDB: ============= START OF LOAD BALANCING ============== 13521.3 LDB: Largest compute 4801 load 0.021774 is 18.4% of average load 0.118289 LDB: Average compute 0.001730 is 1.5% of average load 0.118289 LDB: TIME 13521.3 LOAD: AVG 0.118289 MAX 0.196335 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.836 MB LDB: TIME 13521.3 LOAD: AVG 0.118289 MAX 0.196335 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.836 MB LDB: TIME 13521.3 LOAD: AVG 0.118289 MAX 0.196335 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.836 MB LDB: ============== END OF LOAD BALANCING =============== 13521.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13521.3 PRESSURE: 4552400 -16.1445 52.9193 88.888 52.9201 -64.7005 -16.6412 88.8871 -16.6407 -51.0982 GPRESSURE: 4552400 16.6806 20.7915 55.371 145.21 -0.465408 -21.4043 61.315 7.81212 -46.2563 PRESSAVG: 4552400 -46.5129 12.6723 43.0168 12.6722 14.0494 25.9206 43.0169 25.9205 26.1567 GPRESSAVG: 4552400 -45.7227 13.3634 42.7663 13.2417 13.3683 25.9093 41.435 27.3631 25.523 TIMING: 4552400 CPU: 13518, 0.00299899/step Wall: 13518, 0.00299899/step, 0.372874 hours remaining, 209.117188 MB of memory in use. ENERGY: 4552400 749.1386 2085.1702 1951.9724 112.2861 -206041.2466 17602.0263 0.0000 0.0000 34163.9619 -149376.6910 298.3624 -183540.6530 -149284.1605 299.1494 -43.9811 -10.0137 557526.6106 -2.1023 -2.2772 PRESSURE: 4552600 -402.507 2.33666 -45.8705 2.33718 -258.875 -4.41749 -45.8703 -4.4178 -181.675 GPRESSURE: 4552600 -399.155 50.2031 -39.5205 57.0845 -253.952 -109.219 -123.382 39.6606 -96.8804 PRESSAVG: 4552600 15.4361 70.5596 25.5638 70.5596 16.6751 58.1018 25.5638 58.1018 -18.2969 GPRESSAVG: 4552600 15.2781 68.325 26.5879 71.8582 16.6578 55.5403 26.9033 58.4572 -17.9316 TIMING: 4552600 CPU: 13518.6, 0.00293019/step Wall: 13518.6, 0.00293019/step, 0.364157 hours remaining, 209.316406 MB of memory in use. ENERGY: 4552600 805.1048 2078.6296 1926.5444 114.3144 -205805.7325 17540.6081 0.0000 0.0000 34149.1853 -149191.3458 298.2333 -183340.5311 -149092.8574 299.4747 -281.0191 -249.9960 557863.5701 4.6048 4.6681 PRESSURE: 4552800 -163.522 -8.33406 239.052 -8.33466 -18.8515 82.2165 239.053 82.2177 -262.574 GPRESSURE: 4552800 -145.022 -69.4243 226.078 -51.6013 -13.896 43.7266 204.327 1.58662 -181.469 PRESSAVG: 4552800 -35.6592 17.8967 -1.84219 17.8967 21.1784 0.488877 -1.84219 0.48885 -0.119288 GPRESSAVG: 4552800 -35.8803 18.9843 -1.09947 15.976 21.6903 2.74226 -2.41716 -1.53011 -0.501559 TIMING: 4552800 CPU: 13519.2, 0.00294014/step Wall: 13519.2, 0.00294014/step, 0.365231 hours remaining, 209.316406 MB of memory in use. ENERGY: 4552800 754.1808 2119.1586 1951.3060 120.6432 -206127.9966 17591.3794 0.0000 0.0000 34238.8089 -149352.5197 299.0160 -183591.3286 -149258.3631 299.3823 -148.3158 -113.4623 557451.5384 -4.8667 -4.8972 PRESSURE: 4553000 -291.828 -72.0388 -27.0054 -72.0381 -108.852 -185.804 -27.0062 -185.802 -77.3143 GPRESSURE: 4553000 -303.158 -23.0943 -44.4843 -98.9981 -62.9823 -146.388 4.10442 -211.101 -0.439123 PRESSAVG: 4553000 -72.6605 7.48258 24.636 7.48254 72.8849 5.94189 24.636 5.94194 -17.5053 GPRESSAVG: 4553000 -72.8287 7.65232 25.3042 8.14306 73.9844 4.16775 23.8034 7.25302 -18.2339 TIMING: 4553000 CPU: 13519.8, 0.00291334/step Wall: 13519.8, 0.00291334/step, 0.36174 hours remaining, 209.316406 MB of memory in use. ENERGY: 4553000 702.9574 2084.9578 1928.5640 116.7256 -206404.4960 17630.0698 0.0000 0.0000 34323.8593 -149617.3620 299.7588 -183941.2213 -149519.0669 299.1466 -159.3316 -122.1931 558569.4464 -5.7603 -5.6927 PRESSURE: 4553200 -115.12 -15.6841 59.023 -15.6839 158.898 -107.764 59.0238 -107.764 74.2524 GPRESSURE: 4553200 -87.1407 -11.9558 101.937 -57.5177 161.752 -109.156 68.4493 -89.161 133.643 PRESSAVG: 4553200 10.4351 -29.7132 31.873 -29.713 7.93737 -55.0576 31.873 -55.0576 -0.0247638 GPRESSAVG: 4553200 11.0553 -29.2136 30.4683 -30.5966 6.56803 -52.3793 33.1775 -55.8243 0.928302 TIMING: 4553200 CPU: 13520.4, 0.00293702/step Wall: 13520.4, 0.00293702/step, 0.364516 hours remaining, 209.316406 MB of memory in use. ENERGY: 4553200 765.6915 2115.4006 1950.0223 120.8370 -206743.3670 18125.3470 0.0000 0.0000 34171.9636 -149494.1049 298.4323 -183666.0686 -149401.8060 298.4437 39.3434 69.4181 556698.5619 6.1159 6.1839 PRESSURE: 4553400 -66.7942 -16.3841 -26.5798 -16.3836 -37.2232 78.8189 -26.579 78.819 -59.6876 GPRESSURE: 4553400 -65.8545 15.0328 -17.5383 65.2473 20.4264 112.833 -53.9666 14.1264 -14.9329 PRESSAVG: 4553400 -16.8259 34.6671 15.7219 34.6671 16.8949 -19.7864 15.7219 -19.7864 22.7547 GPRESSAVG: 4553400 -16.7042 33.8379 17.241 37.603 17.7775 -18.1841 15.0714 -20.1149 21.9657 TIMING: 4553400 CPU: 13521, 0.00293572/step Wall: 13521, 0.00293572/step, 0.364192 hours remaining, 209.316406 MB of memory in use. ENERGY: 4553400 752.1943 2131.1595 1946.7808 122.9908 -206268.6286 17783.9951 0.0000 0.0000 33840.1242 -149691.3839 295.5342 -183531.5081 -149591.9755 297.7016 -54.5683 -20.1203 556843.3523 7.6079 7.6797 PRESSURE: 4553600 -99.8825 -39.8253 132.802 -39.8252 22.0406 8.06968 132.802 8.06717 148.096 GPRESSURE: 4553600 -81.1223 -75.8006 196.25 14.8397 80.354 75.9129 17.4596 -34.6097 164.581 PRESSAVG: 4553600 11.2236 -56.8317 -26.3185 -56.8317 -13.2183 6.96598 -26.3185 6.96591 27.6502 GPRESSAVG: 4553600 10.6503 -56.351 -26.4015 -60.0183 -12.9503 4.19201 -25.546 7.78696 28.2072 TIMING: 4553600 CPU: 13521.5, 0.00293565/step Wall: 13521.5, 0.00293565/step, 0.36402 hours remaining, 209.316406 MB of memory in use. ENERGY: 4553600 742.1542 2133.0554 1962.0136 100.8016 -206637.5937 17837.6591 0.0000 0.0000 34398.5646 -149463.3452 300.4112 -183861.9098 -149369.3988 298.6187 23.4179 54.6043 555301.2166 8.5518 8.6357 PRESSURE: 4553800 -230.481 63.1747 -104.724 63.1758 -99.7265 8.00476 -104.723 8.00522 -279.258 GPRESSURE: 4553800 -194.654 57.5693 -43.339 30.467 -69.8458 -50.7142 -127.145 63.5294 -245.217 PRESSAVG: 4553800 27.3752 -6.29697 4.58255 -6.29702 6.72058 28.5486 4.58259 28.5487 -18.193 GPRESSAVG: 4553800 26.7378 -7.69603 5.00472 -3.24226 5.95455 27.3271 3.17966 29.2853 -16.6618 TIMING: 4553800 CPU: 13522.1, 0.00295915/step Wall: 13522.1, 0.00295915/step, 0.36677 hours remaining, 209.316406 MB of memory in use. ENERGY: 4553800 735.7667 2080.0196 1910.5025 107.9113 -206193.1594 17416.4470 0.0000 0.0000 34299.4074 -149643.1049 299.5453 -183942.5123 -149545.1532 298.6812 -203.1551 -169.9058 556301.4522 5.3009 5.3435 PRESSURE: 4554000 -6.83177 -26.6463 -85.964 -26.646 -131.582 -28.3633 -85.964 -28.3654 246.35 GPRESSURE: 4554000 39.2642 -39.1535 -122.186 66.6459 -64.1 -48.0887 -129.929 14.3449 232.388 PRESSAVG: 4554000 40.2113 12.1039 -2.05915 12.1038 -17.4176 -19.6334 -2.05913 -19.6334 -4.16983 GPRESSAVG: 4554000 40.8062 14.7309 -2.08093 10.2048 -17.456 -18.4345 -3.35797 -19.723 -5.43618 TIMING: 4554000 CPU: 13522.7, 0.00294243/step Wall: 13522.7, 0.00294243/step, 0.364534 hours remaining, 209.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4554000 736.1929 2092.9218 1934.2144 104.3631 -206688.2362 17922.8673 0.0000 0.0000 34245.6105 -149652.0663 299.0754 -183897.6768 -149561.7972 298.6267 35.9788 69.1841 555272.0826 6.2080 5.9713 PRESSURE: 4554200 212.942 -86.6605 47.5917 -86.6609 41.0734 -64.7349 47.5912 -64.7354 85.3635 GPRESSURE: 4554200 210.319 -9.85143 45.4257 -155.205 85.1856 -61.5806 -4.39876 -3.65109 144.818 PRESSAVG: 4554200 -3.85961 -36.8162 -40.2135 -36.8162 -51.1172 4.0242 -40.2135 4.0242 88.4475 GPRESSAVG: 4554200 -2.18045 -38.1476 -41.2931 -36.3341 -52.4042 4.85318 -37.1575 4.4493 88.4676 TIMING: 4554200 CPU: 13523.3, 0.00292977/step Wall: 13523.3, 0.00292977/step, 0.362803 hours remaining, 209.316406 MB of memory in use. ENERGY: 4554200 737.0877 2080.2077 1943.6067 118.3050 -206479.9094 17934.8543 0.0000 0.0000 34056.2379 -149609.6101 297.4216 -183665.8480 -149511.3063 298.6539 113.1262 146.7742 555555.7665 11.1569 11.2943 PRESSURE: 4554400 -134.501 74.5546 -53.5491 74.5545 50.2737 -7.13798 -53.5488 -7.13714 -13.2665 GPRESSURE: 4554400 -164.043 98.0363 -49.4741 107.873 51.8631 97.081 -19.5474 38.668 119.69 PRESSAVG: 4554400 -31.0669 -0.69862 1.03727 -0.698711 -39.3611 2.47812 1.03728 2.47818 32.2791 GPRESSAVG: 4554400 -32.2003 0.557107 -0.29652 -2.02421 -37.4369 0.391094 1.5283 2.68595 31.9009 TIMING: 4554400 CPU: 13523.9, 0.00293472/step Wall: 13523.9, 0.00293472/step, 0.363253 hours remaining, 209.316406 MB of memory in use. ENERGY: 4554400 716.4087 2084.8609 1952.0004 116.3964 -206143.0120 17669.8912 0.0000 0.0000 33917.0393 -149686.4151 296.2059 -183603.4544 -149589.5402 298.4754 -32.4980 2.5034 555746.9196 -12.7163 -12.5788 PRESSURE: 4554600 -50.1418 88.4177 68.7156 88.4175 -200.355 -31.0539 68.7137 -31.0533 -197.936 GPRESSURE: 4554600 -0.164012 142.476 40.7026 29.2613 -182.214 34.0818 109.073 -61.1109 -171.319 PRESSAVG: 4554600 30.5512 19.5 19.8964 19.5 -27.2777 -31.504 19.8964 -31.5041 -14.9852 GPRESSAVG: 4554600 29.9805 20.9549 21.467 17.7956 -27.6438 -29.8513 17.9888 -33.7934 -14.5177 TIMING: 4554600 CPU: 13524.5, 0.00291688/step Wall: 13524.5, 0.00291688/step, 0.360883 hours remaining, 209.316406 MB of memory in use. ENERGY: 4554600 751.6513 2049.7755 1906.4187 109.5592 -206272.6300 17550.1897 0.0000 0.0000 34210.8999 -149694.1356 298.7723 -183905.0355 -149598.3244 298.1494 -149.4774 -117.8990 555717.3503 -3.9039 -4.0603 PRESSURE: 4554800 -50.4524 -225.462 51.2661 -225.463 55.4923 -29.8466 51.2675 -29.8473 66.9375 GPRESSURE: 4554800 -9.15483 -216.015 94.0851 -333.082 120.036 -35.5096 14.0446 -13.3499 52.6808 PRESSAVG: 4554800 104.102 8.35903 37.5508 8.35906 -69.0483 -40.2299 37.5509 -40.2299 -21.9887 GPRESSAVG: 4554800 103.383 4.17202 37.309 11.3929 -68.8964 -40.8519 37.7297 -39.7682 -22.2874 TIMING: 4554800 CPU: 13525.1, 0.00292454/step Wall: 13525.1, 0.00292454/step, 0.361668 hours remaining, 209.316406 MB of memory in use. ENERGY: 4554800 758.6820 2067.6721 1953.9393 113.5942 -206365.9612 17806.9175 0.0000 0.0000 34153.1105 -149512.0455 298.2676 -183665.1561 -149412.7602 297.9901 23.9924 54.5206 554634.2751 4.3549 4.0664 PRESSURE: 4555000 -49.6084 2.71877 -78.5328 2.71832 -94.216 -42.4184 -78.5316 -42.4185 -111.372 GPRESSURE: 4555000 -24.7535 23.9424 -42.1842 -10.3507 -126.799 -66.6656 -88.3907 -58.8571 -5.14665 PRESSAVG: 4555000 22.9688 -4.79726 6.70902 -4.79725 -71.0868 -26.1426 6.70905 -26.1427 24.8699 GPRESSAVG: 4555000 23.0658 -2.00642 7.57245 -5.76534 -71.8682 -25.6193 4.66919 -26.3075 25.1191 TIMING: 4555000 CPU: 13525.7, 0.00294578/step Wall: 13525.7, 0.00294578/step, 0.364131 hours remaining, 209.316406 MB of memory in use. ENERGY: 4555000 760.3950 2046.0314 1928.9202 129.6790 -206342.4890 17664.1119 0.0000 0.0000 34368.7888 -149444.5626 300.1512 -183813.3514 -149347.6434 298.7935 -85.0654 -52.2329 556120.0387 -7.7494 -7.8944 PRESSURE: 4555200 3.30037 -61.703 36.325 -61.7029 -255.143 41.4792 36.3269 41.4785 -68.0993 GPRESSURE: 4555200 41.0183 -115.015 35.059 -11.2143 -239.66 30.9514 -21.5333 -69.2286 -5.06299 PRESSAVG: 4555200 -2.13683 14.1698 -1.89515 14.1698 -44.1775 -28.4261 -1.89503 -28.4261 20.0547 GPRESSAVG: 4555200 -2.07735 11.6013 -0.297183 13.9846 -44.3351 -26.3974 -2.30384 -27.1854 20.6128 TIMING: 4555200 CPU: 13526.2, 0.00292699/step Wall: 13526.2, 0.00292699/step, 0.361646 hours remaining, 209.316406 MB of memory in use. ENERGY: 4555200 728.2565 2128.3819 1906.1300 114.7091 -206452.5274 17862.5159 0.0000 0.0000 34216.1013 -149496.4327 298.8177 -183712.5340 -149394.8781 298.3038 -106.6474 -67.9017 557909.9655 -8.7532 -8.5999 PRESSURE: 4555400 -251.209 87.2603 -131.36 87.2608 -438.7 -1.46905 -131.361 -1.47001 -144.406 GPRESSURE: 4555400 -202.396 41.6491 9.35199 42.0118 -424.995 -13.2551 -107.998 -13.6938 -115.464 PRESSAVG: 4555400 -77.0591 8.24808 -3.10668 8.24815 -0.677134 -34.731 -3.10665 -34.7311 67.2632 GPRESSAVG: 4555400 -76.5329 11.33 -6.06938 8.11881 0.233496 -37.5731 -1.55808 -34.225 66.4422 TIMING: 4555400 CPU: 13526.8, 0.00292816/step Wall: 13526.8, 0.00292816/step, 0.361628 hours remaining, 209.316406 MB of memory in use. ENERGY: 4555400 765.0772 2136.2989 1930.7846 98.8017 -206145.6406 17555.5026 0.0000 0.0000 34155.8647 -149503.3109 298.2917 -183659.1756 -149411.0527 298.6047 -278.1046 -247.6183 558705.7059 -3.4910 -3.2857 PRESSURE: 4555600 64.6812 -92.1316 50.5121 -92.1308 253.035 79.8465 50.5132 79.8454 -122.346 GPRESSURE: 4555600 103.625 -118.491 15.706 -58.3145 246.691 102.13 42.3729 66.9976 -59.0262 PRESSAVG: 4555600 -28.0719 35.7398 -45.8419 35.7398 35.1998 23.7582 -45.8418 23.7581 -26.777 GPRESSAVG: 4555600 -27.7272 32.8766 -43.9604 38.0754 35.0207 22.9579 -45.7895 22.907 -26.7847 TIMING: 4555600 CPU: 13527.4, 0.00294141/step Wall: 13527.4, 0.00294141/step, 0.363101 hours remaining, 209.316406 MB of memory in use. ENERGY: 4555600 784.3667 2065.2415 1929.4757 108.5939 -206458.0055 17910.7075 0.0000 0.0000 34339.1264 -149320.4938 299.8921 -183659.6202 -149220.2241 298.8157 65.1236 97.0967 556885.3050 -6.5497 -6.4971 PRESSURE: 4555800 -67.9176 65.9956 212.563 65.9955 -16.8866 -11.977 212.563 -11.9766 56.214 GPRESSURE: 4555800 -54.4717 137.854 161.117 -16.9923 44.781 64.4141 265.448 -35.5213 84.864 PRESSAVG: 4555800 -81.1012 19.5658 36.7208 19.5659 17.243 -40.0789 36.7208 -40.0789 34.369 GPRESSAVG: 4555800 -81.2801 20.5176 35.1133 15.3652 17.452 -38.5697 36.849 -39.3091 34.5836 TIMING: 4555800 CPU: 13528, 0.00291717/step Wall: 13528, 0.00291717/step, 0.359947 hours remaining, 209.316406 MB of memory in use. ENERGY: 4555800 735.2682 2086.3187 1924.4926 119.3579 -206392.2453 18070.6656 0.0000 0.0000 34259.4602 -149196.6821 299.1964 -183456.1423 -149090.5420 299.5702 -9.5301 25.0577 558126.9819 -9.8297 -9.7481 PRESSURE: 4556000 321.898 -4.69195 -22.6698 -4.69271 -3.40505 -49.8378 -22.6699 -49.8386 269.748 GPRESSURE: 4556000 355.856 7.50621 85.1412 -43.6667 0.0819705 -30.6468 -94.17 -57.4815 335.063 PRESSAVG: 4556000 64.7477 39.9419 -8.85294 39.942 -15.1662 -17.2698 -8.85296 -17.2698 -0.522461 GPRESSAVG: 4556000 64.407 42.2061 -7.28296 42.3594 -15.7218 -19.1027 -7.30478 -15.5452 0.113943 TIMING: 4556000 CPU: 13528.6, 0.00291844/step Wall: 13528.6, 0.00291844/step, 0.359941 hours remaining, 209.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4556000 778.7147 2118.5693 1944.9476 122.4518 -206683.3685 18199.5184 0.0000 0.0000 34287.4868 -149231.6798 299.4412 -183519.1666 -149140.1882 299.6015 196.0806 230.3335 558013.2152 16.3530 16.2664 PRESSURE: 4556200 -26.5853 -201.022 -110.876 -201.022 -21.5014 7.63697 -110.876 7.63732 -23.5298 GPRESSURE: 4556200 70.3043 -192.324 -97.3961 -161.122 -35.7642 50.7356 -184.943 13.3331 -10.634 PRESSAVG: 4556200 29.941 -17.8995 -17.9372 -17.8995 -39.3479 -3.42841 -17.9373 -3.42847 6.16452 GPRESSAVG: 4556200 29.434 -19.8414 -17.2374 -17.167 -39.6273 -0.513235 -19.8659 -6.79732 6.92872 TIMING: 4556200 CPU: 13529.2, 0.00294563/step Wall: 13529.2, 0.00294563/step, 0.36313 hours remaining, 209.316406 MB of memory in use. ENERGY: 4556200 751.1887 2046.8348 1939.5900 121.0353 -206072.9741 17752.1773 0.0000 0.0000 34135.9977 -149326.1503 298.1182 -183462.1480 -149236.5411 299.3472 -23.8722 7.9687 556746.6336 -1.0808 -1.0882 LDB: ============= START OF LOAD BALANCING ============== 13532.7 LDB: ============== END OF LOAD BALANCING =============== 13532.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13532.7 LDB: ============= START OF LOAD BALANCING ============== 13533 LDB: Largest compute 4801 load 0.021851 is 18.5% of average load 0.118294 LDB: Average compute 0.001728 is 1.5% of average load 0.118294 LDB: TIME 13533 LOAD: AVG 0.118294 MAX 0.195615 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.309 MB LDB: TIME 13533 LOAD: AVG 0.118294 MAX 0.195615 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.312 MB LDB: TIME 13533 LOAD: AVG 0.118294 MAX 0.195615 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.312 MB LDB: ============== END OF LOAD BALANCING =============== 13533 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13533 PRESSURE: 4556400 -370.965 90.6759 -150.105 90.6758 -278.793 -150.686 -150.105 -150.686 -101.671 GPRESSURE: 4556400 -331.28 81.3014 -195.266 109.921 -238.344 -179.355 -84.1394 -241.659 -83.3597 PRESSAVG: 4556400 -1.07111 -38.9752 -46.2578 -38.9751 16.1883 -94.8516 -46.2577 -94.8515 -12.5351 GPRESSAVG: 4556400 -0.37957 -40.4739 -47.4061 -40.4269 17.2211 -95.6369 -45.3495 -93.4983 -14.9645 TIMING: 4556400 CPU: 13529.8, 0.00297267/step Wall: 13529.8, 0.00297267/step, 0.366299 hours remaining, 208.148438 MB of memory in use. ENERGY: 4556400 767.2391 2076.3461 1924.6165 118.4404 -206140.8530 17701.7170 0.0000 0.0000 34154.2159 -149398.2780 298.2773 -183552.4939 -149306.1902 299.2413 -250.4765 -217.6612 557917.9865 0.8607 0.6257 PRESSURE: 4556600 -6.52548 45.226 87.0848 45.2259 -181.864 89.6919 87.0867 89.6926 -130.617 GPRESSURE: 4556600 1.26512 24.4528 82.9781 39.0731 -142.186 91.8971 123.826 78.5077 -91.4771 PRESSAVG: 4556600 11.7619 -38.4333 -10.0888 -38.4333 42.4129 3.11467 -10.0887 3.11475 -41.48 GPRESSAVG: 4556600 12.0324 -38.4563 -11.5096 -37.7319 41.7932 1.84513 -10.5857 3.82256 -40.7796 TIMING: 4556600 CPU: 13530.3, 0.0029252/step Wall: 13530.3, 0.0029252/step, 0.360287 hours remaining, 208.347656 MB of memory in use. ENERGY: 4556600 766.1082 2105.9195 1924.7257 112.0716 -206410.3754 17784.8867 0.0000 0.0000 34301.4413 -149415.2223 299.5630 -183716.6636 -149321.8314 298.3597 -106.3356 -77.4658 556963.1674 4.2316 4.3487 PRESSURE: 4556800 -60.9856 -66.1336 -7.53598 -66.1336 165.614 33.4623 -7.53698 33.4622 284.457 GPRESSURE: 4556800 -30.0965 -21.3543 19.2692 -105.618 202.289 -10.9105 -29.0802 14.8306 317.223 PRESSAVG: 4556800 32.2204 -23.0667 79.043 -23.0666 -12.4798 53.5054 79.0431 53.5055 -17.7173 GPRESSAVG: 4556800 31.2696 -22.6265 79.1951 -23.14 -12.8853 54.4703 79.338 51.8556 -16.4286 TIMING: 4556800 CPU: 13530.9, 0.00296077/step Wall: 13530.9, 0.00296077/step, 0.364504 hours remaining, 208.347656 MB of memory in use. ENERGY: 4556800 725.7466 2150.5632 1921.7336 109.8491 -206695.2443 18225.0079 0.0000 0.0000 34211.0823 -149351.2617 298.7739 -183562.3440 -149252.8227 299.0966 129.6953 163.1386 558903.6624 0.6744 0.6519 PRESSURE: 4557000 -349.588 101.76 -108.15 101.759 -25.8765 -47.3135 -108.15 -47.3132 136.924 GPRESSURE: 4557000 -322.291 40.1539 -147.442 115.173 4.47228 -86.9272 -49.4352 33.298 156.683 PRESSAVG: 4557000 6.95877 96.1066 -27.9528 96.1066 39.5702 2.73926 -27.9529 2.73925 26.6313 GPRESSAVG: 4557000 7.86982 96.4302 -27.5389 96.6863 40.2353 2.08321 -27.1599 4.19147 24.7328 TIMING: 4557000 CPU: 13531.5, 0.00293765/step Wall: 13531.5, 0.00293765/step, 0.361494 hours remaining, 208.347656 MB of memory in use. ENERGY: 4557000 720.8473 2123.7029 1946.1890 116.4244 -206148.0474 17689.9404 0.0000 0.0000 34163.6175 -149387.3259 298.3594 -183550.9435 -149288.0402 298.7408 -79.5136 -53.7120 557908.4502 24.3868 24.2793 PRESSURE: 4557200 -58.4084 61.4147 57.0372 61.4146 -298.42 -32.2039 57.0378 -32.2032 11.4494 GPRESSURE: 4557200 -66.0724 34.9825 79.1487 18.9006 -176.067 -38.9791 -34.759 15.991 -4.9815 PRESSAVG: 4557200 2.86353 34.7507 -10.5936 34.7508 -34.6097 -22.1945 -10.5937 -22.1946 84.5597 GPRESSAVG: 4557200 1.86876 34.4243 -8.73027 34.5896 -33.5878 -22.3841 -12.9012 -22.7246 84.8499 TIMING: 4557200 CPU: 13532.1, 0.00296018/step Wall: 13532.1, 0.00296018/step, 0.364102 hours remaining, 208.347656 MB of memory in use. ENERGY: 4557200 752.7352 2077.7514 1957.8123 103.1366 -206151.0256 17624.1203 0.0000 0.0000 34070.0229 -149565.4470 297.5420 -183635.4699 -149464.6723 298.3830 -115.1262 -82.3737 556475.9957 17.6045 17.7103 PRESSURE: 4557400 -250.32 226.185 110.019 226.186 1.82655 41.3735 110.02 41.374 -113.533 GPRESSURE: 4557400 -187.586 214.138 114.869 253.75 18.7686 17.4371 144.744 82.5358 -101.091 PRESSAVG: 4557400 0.893007 9.83011 12.4481 9.83013 -41.027 -22.4547 12.4481 -22.4547 24.6204 GPRESSAVG: 4557400 -0.028953 9.42149 11.1449 11.24 -41.5926 -22.3488 12.9051 -21.9788 26.5541 TIMING: 4557400 CPU: 13532.7, 0.00293003/step Wall: 13532.7, 0.00293003/step, 0.360231 hours remaining, 208.347656 MB of memory in use. ENERGY: 4557400 788.9073 2129.2767 1935.7591 119.9221 -206454.9684 17759.6299 0.0000 0.0000 34072.6203 -149648.8529 297.5647 -183721.4732 -149545.9374 297.8463 -120.6755 -89.9695 556555.3232 -5.1712 -5.0225 PRESSURE: 4557600 38.921 24.0042 171.425 24.0039 -172.666 48.8403 171.426 48.8386 -263.045 GPRESSURE: 4557600 48.1129 -41.7652 156.927 71.7747 -179.079 4.48468 106.909 -14.4072 -162.042 PRESSAVG: 4557600 43.3951 18.642 13.9089 18.642 9.14857 12.2334 13.9089 12.2335 -32.4206 GPRESSAVG: 4557600 45.9152 19.2125 12.7831 15.8093 7.92844 12.1111 15.8169 10.943 -33.3969 TIMING: 4557600 CPU: 13533.3, 0.00295463/step Wall: 13533.3, 0.00295463/step, 0.363092 hours remaining, 208.347656 MB of memory in use. ENERGY: 4557600 763.0555 2077.3145 1929.5463 110.9360 -206559.4685 17981.0349 0.0000 0.0000 34153.6911 -149543.8901 298.2727 -183697.5812 -149447.3229 297.8107 -132.2634 -97.6694 558398.3094 6.7077 6.8156 PRESSURE: 4557800 -120.097 3.48307 -36.9381 3.48379 -11.6267 -9.50521 -36.9392 -9.50571 -82.8459 GPRESSURE: 4557800 -65.3437 20.5891 -38.417 -5.11901 43.6458 -115.113 32.3998 13.71 -93.0457 PRESSAVG: 4557800 8.1777 -7.09358 22.2641 -7.09347 -4.02048 -19.562 22.2641 -19.562 19.6324 GPRESSAVG: 4557800 7.16453 -6.80613 23.3567 -6.31369 -2.61125 -18.0481 23.6437 -19.9877 19.666 TIMING: 4557800 CPU: 13533.9, 0.00294168/step Wall: 13533.9, 0.00294168/step, 0.361337 hours remaining, 208.347656 MB of memory in use. ENERGY: 4557800 769.9809 2105.9956 1924.5835 110.4388 -206444.6523 17926.3780 0.0000 0.0000 34183.6346 -149423.6409 298.5342 -183607.2755 -149329.1769 298.2660 -71.5231 -38.2479 559188.9568 7.9299 8.0731 PRESSURE: 4558000 81.1632 40.0334 15.8264 40.0341 131.525 -55.7123 15.8248 -55.7134 22.5706 GPRESSURE: 4558000 108.656 103.294 -78.4561 48.4236 179.951 -124.653 -2.38033 -44.0196 46.7815 PRESSAVG: 4558000 -11.8554 40.8431 -7.45607 40.8431 36.4775 26.5481 -7.45618 26.5481 -4.39124 GPRESSAVG: 4558000 -11.594 42.3505 -7.88094 40.811 35.6248 25.5688 -8.85294 26.575 -3.96604 TIMING: 4558000 CPU: 13534.5, 0.00292478/step Wall: 13534.5, 0.00292478/step, 0.359099 hours remaining, 208.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4558000 754.0440 2173.8784 1922.7191 113.9947 -206211.1559 17829.6665 0.0000 0.0000 33886.3782 -149530.4750 295.9382 -183416.8532 -149441.3249 298.5835 78.4195 111.7961 558297.9231 6.7436 6.6883 PRESSURE: 4558200 139.096 157.625 -47.7683 157.625 111.629 1.04419 -47.7682 1.04361 -93.3297 GPRESSURE: 4558200 145.671 175.952 -85.3199 178.199 148.178 8.87992 8.5801 6.63195 -32.0022 PRESSAVG: 4558200 46.761 57.1824 -30.8492 57.1824 13.6791 -69.1179 -30.8492 -69.1179 -54.8564 GPRESSAVG: 4558200 45.8065 56.8978 -28.4966 57.5333 14.9528 -69.9299 -32.698 -67.1567 -54.5302 TIMING: 4558200 CPU: 13535.1, 0.00291593/step Wall: 13535.1, 0.00291593/step, 0.35785 hours remaining, 208.347656 MB of memory in use. ENERGY: 4558200 742.2513 2091.1563 1940.0296 122.8153 -206563.4078 17839.1755 0.0000 0.0000 34030.5615 -149797.4184 297.1974 -183827.9799 -149702.0255 297.8214 52.4654 87.2822 555734.0121 1.8613 2.0764 PRESSURE: 4558400 -197.983 62.2788 -51.233 62.2787 -211.098 5.54543 -51.2326 5.54534 -238.259 GPRESSURE: 4558400 -185.454 61.1366 -38.5511 49.4645 -148.836 -100.493 -18.8663 21.0477 -212.843 PRESSAVG: 4558400 -15.8385 17.8578 -25.4063 17.8577 68.9804 -37.2708 -25.4063 -37.2707 -73.401 GPRESSAVG: 4558400 -14.707 15.8066 -27.7322 18.9892 68.604 -38.0117 -23.646 -37.0404 -74.2932 TIMING: 4558400 CPU: 13535.6, 0.00291837/step Wall: 13535.6, 0.00291837/step, 0.357987 hours remaining, 208.347656 MB of memory in use. ENERGY: 4558400 731.9709 2069.8892 1928.5519 116.1194 -206203.4248 17422.9337 0.0000 0.0000 34194.5509 -149739.4088 298.6295 -183933.9597 -149637.7396 298.5693 -215.7798 -182.3778 556606.9241 -6.7530 -6.7987 PRESSURE: 4558600 -317.836 -13.8907 -140.377 -13.8903 -284.152 36.0095 -140.378 36.0086 45.4245 GPRESSURE: 4558600 -290.456 33.6176 -145.749 -37.7071 -223.344 17.0251 -210.971 -40.2643 57.5393 PRESSAVG: 4558600 -62.8378 -35.7882 -61.3938 -35.7883 45.368 -0.806435 -61.3938 -0.806432 25.1072 GPRESSAVG: 4558600 -63.1306 -33.1699 -61.3173 -37.5108 45.3189 0.592214 -60.0407 -2.23848 25.1304 TIMING: 4558600 CPU: 13536.2, 0.00292135/step Wall: 13536.2, 0.00292135/step, 0.35819 hours remaining, 208.347656 MB of memory in use. ENERGY: 4558600 760.1929 2033.8333 1903.4212 127.8476 -206465.1666 17846.1888 0.0000 0.0000 34201.4519 -149592.2309 298.6898 -183793.6828 -149485.2237 298.4800 -185.5213 -152.0867 557435.0380 2.5458 2.4395 PRESSURE: 4558800 126.137 -124.217 138.323 -124.216 66.3915 9.62571 138.322 9.62583 264.258 GPRESSURE: 4558800 203.29 -83.2019 103.015 -106.421 126.448 46.6782 112.921 -1.19503 235.806 PRESSAVG: 4558800 18.2689 -54.9934 -40.5508 -54.9934 21.9331 63.1037 -40.5507 63.1037 -59.3855 GPRESSAVG: 4558800 17.5962 -57.6609 -40.7077 -54.055 22.937 63.2033 -42.1639 62.5915 -59.5892 TIMING: 4558800 CPU: 13536.8, 0.00294665/step Wall: 13536.8, 0.00294665/step, 0.361129 hours remaining, 208.347656 MB of memory in use. ENERGY: 4558800 757.3515 2076.2219 1903.6189 111.9283 -206869.0903 18357.7431 0.0000 0.0000 34018.1061 -149644.1205 297.0886 -183662.2266 -149554.2113 297.8145 152.2621 188.5148 557258.4047 -6.3945 -6.3520 PRESSURE: 4559000 26.957 172.172 82.2805 172.172 176.118 12.6369 82.2811 12.6377 -144.22 GPRESSURE: 4559000 53.94 190.247 98.3894 147.48 238.832 39.4902 44.032 -30.9427 -128.702 PRESSAVG: 4559000 -3.2061 -37.8011 6.99881 -37.801 43.6593 19.9174 6.99886 19.9173 -35.9509 GPRESSAVG: 4559000 -3.13149 -36.0064 6.85775 -37.9223 41.7225 19.0075 7.5294 18.7805 -34.0089 TIMING: 4559000 CPU: 13537.4, 0.00294093/step Wall: 13537.4, 0.00294093/step, 0.360264 hours remaining, 208.347656 MB of memory in use. ENERGY: 4559000 741.6565 2053.9181 1915.8172 111.9376 -206361.4066 17808.1055 0.0000 0.0000 34175.3562 -149554.6156 298.4619 -183729.9718 -149459.4012 298.9385 19.6185 54.6901 556660.9262 1.5008 1.5274 PRESSURE: 4559200 -273.522 -50.0556 12.0433 -50.0558 246.155 32.1347 12.0428 32.1366 14.8433 GPRESSURE: 4559200 -300.681 -73.6936 59.0344 -100.214 332.116 136.544 -18.5931 -91.1246 53.1347 PRESSAVG: 4559200 -12.6341 -60.3488 17.0199 -60.3488 37.6821 85.9759 17.0199 85.976 -2.17846 GPRESSAVG: 4559200 -12.4708 -60.8576 16.8394 -60.5044 37.4987 88.5901 17.7636 85.6869 -2.21207 TIMING: 4559200 CPU: 13538, 0.00291642/step Wall: 13538, 0.00291642/step, 0.3571 hours remaining, 208.347656 MB of memory in use. ENERGY: 4559200 708.6632 2128.3266 1916.7390 107.6313 -206157.2191 17708.6816 0.0000 0.0000 34127.0731 -149460.1043 298.0402 -183587.1774 -149369.4740 298.6320 -4.1746 28.1898 557661.1922 7.6232 7.6053 PRESSURE: 4559400 -314.52 -49.6536 90.318 -49.6538 -146.61 -46.5853 90.3188 -46.5852 -176.425 GPRESSURE: 4559400 -297.751 -32.2008 72.1485 -19.6041 -113.708 -73.0575 152.468 -76.5556 -118.178 PRESSAVG: 4559400 -73.0778 -2.67419 50.9544 -2.67412 41.1139 -6.48376 50.9543 -6.48378 26.802 GPRESSAVG: 4559400 -73.3133 -2.17402 50.499 -2.40977 41.3852 -6.60818 49.2277 -6.0164 26.7688 TIMING: 4559400 CPU: 13538.6, 0.00293963/step Wall: 13538.6, 0.00293963/step, 0.359778 hours remaining, 208.347656 MB of memory in use. ENERGY: 4559400 753.7927 2098.6211 1933.6521 108.2875 -205797.0124 17380.7776 0.0000 0.0000 34134.0769 -149387.8046 298.1014 -183521.8814 -149287.3821 298.2882 -212.5183 -176.5457 557634.7449 -1.7206 -1.7198 PRESSURE: 4559600 -2.34799 5.12013 -71.4271 5.12039 -380.545 102.105 -71.4271 102.105 -65.4843 GPRESSURE: 4559600 112.804 -13.2509 -99.3544 23.284 -385.689 118.54 -86.009 75.266 -76.9844 PRESSAVG: 4559600 7.14114 34.2982 -24.6003 34.2981 -65.1774 9.14737 -24.6003 9.14735 18.6753 GPRESSAVG: 4559600 5.54169 32.4709 -26 34.9272 -63.6684 8.58582 -22.5668 8.52828 18.5215 TIMING: 4559600 CPU: 13539.2, 0.00293452/step Wall: 13539.2, 0.00293452/step, 0.35899 hours remaining, 208.347656 MB of memory in use. ENERGY: 4559600 767.7135 2083.5962 1915.4955 120.5100 -205849.5877 17458.2116 0.0000 0.0000 34103.5293 -149400.5316 297.8346 -183504.0609 -149312.0253 298.5881 -149.4590 -116.6232 556087.4496 -13.1203 -13.2017 PRESSURE: 4559800 164.535 22.4213 77.4266 22.4209 34.0202 -18.2804 77.4281 -18.2803 166.299 GPRESSURE: 4559800 199.419 33.7084 77.938 44.4419 29.686 -9.74228 73.1119 3.65133 233.452 PRESSAVG: 4559800 -13.9803 11.0586 43.5404 11.0586 84.3069 -5.77725 43.5405 -5.77714 -14.9156 GPRESSAVG: 4559800 -12.582 10.4441 45.3686 11.4761 83.8584 -6.77068 43.0305 -3.55528 -16.1238 TIMING: 4559800 CPU: 13539.7, 0.00297123/step Wall: 13539.7, 0.00297123/step, 0.363315 hours remaining, 208.347656 MB of memory in use. ENERGY: 4559800 758.8509 2085.9867 1915.2367 114.7085 -206525.1475 17972.7573 0.0000 0.0000 34424.5191 -149253.0883 300.6379 -183677.6074 -149150.7398 299.4018 121.6179 154.1856 555491.2819 18.4703 18.3842 PRESSURE: 4560000 220.416 119.309 -4.06515 119.309 -34.8827 0.354256 -4.06414 0.353568 0.318825 GPRESSURE: 4560000 255.321 132.725 66.9386 142.769 25.908 5.78449 -130.283 -4.78534 19.1564 PRESSAVG: 4560000 0.890822 -85.5716 -19.5117 -85.5716 63.1305 2.79149 -19.5117 2.79151 -72.4169 GPRESSAVG: 4560000 0.675836 -83.543 -17.9722 -86.9464 62.7883 5.12392 -21.6904 0.655523 -72.313 TIMING: 4560000 CPU: 13540.3, 0.00297974/step Wall: 13540.3, 0.00297974/step, 0.364191 hours remaining, 208.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4560000 730.4398 2092.1119 1938.3578 110.8786 -206025.9735 17814.5606 0.0000 0.0000 34182.3140 -149157.3108 298.5226 -183339.6247 -149057.8629 299.2187 61.9507 100.1285 557345.6310 -2.7985 -2.9496 PRESSURE: 4560200 -254.638 -47.2528 7.75395 -47.2543 -16.1519 -158.797 7.75406 -158.795 -210.555 GPRESSURE: 4560200 -186.761 26.5238 -13.9453 -57.4034 -29.8786 -166.775 38.6617 -194.863 -173.553 PRESSAVG: 4560200 -27.3196 12.4662 38.6658 12.466 18.9474 10.1413 38.6657 10.1414 -12.9988 GPRESSAVG: 4560200 -26.6293 11.0763 38.0097 13.1912 17.3756 8.2593 40.0049 10.6185 -11.6796 TIMING: 4560200 CPU: 13540.9, 0.00295379/step Wall: 13540.9, 0.00295379/step, 0.360855 hours remaining, 208.347656 MB of memory in use. ENERGY: 4560200 744.3473 2119.8613 1887.5544 126.8101 -206030.0938 17663.9440 0.0000 0.0000 34351.8876 -149135.6891 300.0036 -183487.5767 -149045.2199 299.1463 -160.4483 -130.0642 557885.1206 -7.1237 -6.9777 LDB: ============= START OF LOAD BALANCING ============== 13544.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13544.5 LDB: =============== DONE WITH MIGRATION ================ 13544.5 LDB: ============= START OF LOAD BALANCING ============== 13544.8 LDB: Largest compute 4801 load 0.021883 is 18.5% of average load 0.118281 LDB: Average compute 0.001739 is 1.5% of average load 0.118281 LDB: TIME 13544.8 LOAD: AVG 0.118281 MAX 0.19637 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.465 MB LDB: TIME 13544.8 LOAD: AVG 0.118281 MAX 0.19637 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.465 MB LDB: TIME 13544.8 LOAD: AVG 0.118281 MAX 0.19637 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.465 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13544.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13544.8 PRESSURE: 4560400 44.9987 286.117 -21.0554 286.117 -16.5825 -26.6242 -21.0559 -26.6236 -57.6462 GPRESSURE: 4560400 78.2078 234.57 99.1355 331.246 23.6217 29.4757 -122.378 -71.0334 -16.4116 PRESSAVG: 4560400 51.8083 35.2447 -20.167 35.2447 30.3006 14.3314 -20.1669 14.3314 -47.7069 GPRESSAVG: 4560400 52.5482 33.8397 -18.5291 34.7595 31.5851 13.7382 -21.5689 15.4933 -49.1982 TIMING: 4560400 CPU: 13541.5, 0.00300823/step Wall: 13541.5, 0.00300823/step, 0.367339 hours remaining, 207.839844 MB of memory in use. ENERGY: 4560400 736.6445 2093.3527 1904.8279 119.5940 -206065.8312 17677.0824 0.0000 0.0000 34379.1524 -149155.1772 300.2417 -183534.3296 -149063.3063 299.0695 -9.7433 28.4726 555922.0328 11.4673 11.6450 PRESSURE: 4560600 -30.9342 -33.7957 161.6 -33.7972 84.1353 11.2242 161.6 11.2247 -70.7473 GPRESSURE: 4560600 -10.8886 -5.91682 163.712 -91.9539 142.416 -33.794 166.386 58.3495 -40.7378 PRESSAVG: 4560600 50.4883 21.9481 6.42186 21.948 16.4145 2.96334 6.42183 2.96327 -1.61306 GPRESSAVG: 4560600 50.358 23.0606 3.76928 23.4666 14.8976 5.02655 8.56261 0.730303 -0.400107 TIMING: 4560600 CPU: 13542.1, 0.00292222/step Wall: 13542.1, 0.00292222/step, 0.356673 hours remaining, 207.839844 MB of memory in use. ENERGY: 4560600 784.8190 2131.9736 1927.0630 98.8482 -206134.0208 17835.4747 0.0000 0.0000 34253.7220 -149102.1203 299.1463 -183355.8423 -149009.7242 299.8641 -5.8487 30.2631 556605.3832 21.7632 21.6185 PRESSURE: 4560800 -67.8812 18.6675 -59.3493 18.6675 -422.115 3.91772 -59.3512 3.91711 -127.706 GPRESSURE: 4560800 -74.5342 35.9517 -106.659 -24.2998 -361.002 -31.8971 20.4479 91.9463 -80.977 PRESSAVG: 4560800 16.9874 -12.9317 19.8081 -12.9317 -33.2816 27.9663 19.8081 27.9663 12.0702 GPRESSAVG: 4560800 15.6875 -12.2798 19.6508 -13.5293 -32.8259 25.5094 19.5657 29.928 12.5833 TIMING: 4560800 CPU: 13542.7, 0.00292567/step Wall: 13542.7, 0.00292567/step, 0.356931 hours remaining, 207.839844 MB of memory in use. ENERGY: 4560800 743.5372 2163.1754 1910.8531 105.5248 -205934.4067 17541.0886 0.0000 0.0000 34360.0198 -149110.2078 300.0746 -183470.2276 -149014.7895 299.2911 -205.9007 -172.1711 558332.0273 -1.4080 -1.5184 PRESSURE: 4561000 -250.677 114.155 22.5836 114.155 14.336 -4.73882 22.5829 -4.73783 -217.473 GPRESSURE: 4561000 -175.039 168.753 -1.12574 123.075 1.30251 -55.8645 30.259 76.9549 -175.47 PRESSAVG: 4561000 1.50307 26.4037 14.5374 26.4037 11.6328 25.3389 14.5375 25.3389 -47.0701 GPRESSAVG: 4561000 1.07339 24.4883 16.3733 27.2467 12.2831 28.4673 13.8335 25.1856 -47.7129 TIMING: 4561000 CPU: 13543.3, 0.00293285/step Wall: 13543.3, 0.00293285/step, 0.357645 hours remaining, 207.839844 MB of memory in use. ENERGY: 4561000 723.5525 2060.0197 1908.1469 106.2971 -205891.4709 17516.8692 0.0000 0.0000 34211.3305 -149365.2550 298.7761 -183576.5855 -149269.3690 299.4571 -151.2713 -116.4021 557652.8165 -11.3114 -11.4521 PRESSURE: 4561200 23.3099 -22.3873 -77.4308 -22.3869 103.51 -62.5283 -77.4299 -62.5265 189.192 GPRESSURE: 4561200 28.3317 -96.0289 -18.468 19.65 152.145 -9.89446 -85.7148 -176.343 226.545 PRESSAVG: 4561200 -70.1628 -5.04709 -43.6481 -5.04697 58.1786 22.4791 -43.6481 22.4791 -3.94644 GPRESSAVG: 4561200 -68.6172 -4.88603 -43.6035 -7.08351 56.4599 22.1017 -44.2179 21.035 -4.19375 TIMING: 4561200 CPU: 13543.9, 0.00295155/step Wall: 13543.9, 0.00295155/step, 0.359761 hours remaining, 207.839844 MB of memory in use. ENERGY: 4561200 721.5025 2058.6507 1896.5840 118.8735 -206496.5608 18041.7987 0.0000 0.0000 34163.2060 -149495.9454 298.3558 -183659.1514 -149394.5728 298.6732 105.3373 135.6739 557329.0460 -5.3102 -5.4503 PRESSURE: 4561400 8.29321 37.3364 -47.5477 37.3372 -62.4649 102.705 -47.5485 102.703 97.4905 GPRESSURE: 4561400 35.6044 42.33 -3.04851 29.3714 -43.1142 70.2751 -71.1234 99.9405 145.393 PRESSAVG: 4561400 2.61289 -32.9238 -42.9596 -32.9238 35.4755 44.4168 -42.9595 44.4168 -34.0372 GPRESSAVG: 4561400 1.1823 -30.16 -42.1564 -34.3037 37.5902 45.001 -44.6424 43.5155 -34.9363 TIMING: 4561400 CPU: 13544.5, 0.00296181/step Wall: 13544.5, 0.00296181/step, 0.360847 hours remaining, 207.839844 MB of memory in use. ENERGY: 4561400 717.1242 2104.2981 1924.0429 116.2250 -206535.4822 17872.5618 0.0000 0.0000 34180.7356 -149620.4945 298.5089 -183801.2301 -149516.7586 298.8894 14.4396 45.9609 557886.3406 1.3504 1.2787 PRESSURE: 4561600 -585.265 -124.299 -14.6985 -124.298 -191.367 -74.3139 -14.6983 -74.3142 -15.3934 GPRESSURE: 4561600 -461.701 -126.507 113.978 -126.467 -203.5 -139.186 -12.4383 -128.071 -19.7321 PRESSAVG: 4561600 24.7426 -16.1091 -4.08187 -16.109 23.912 -16.2478 -4.0819 -16.2478 -45.2736 GPRESSAVG: 4561600 24.6389 -15.5503 -5.80898 -16.6936 21.959 -17.8843 -1.77474 -14.6304 -43.363 TIMING: 4561600 CPU: 13545.1, 0.0029463/step Wall: 13545.1, 0.0029463/step, 0.358794 hours remaining, 207.878906 MB of memory in use. ENERGY: 4561600 763.4903 2076.8815 1902.2569 119.3926 -205938.1259 17633.2424 0.0000 0.0000 33951.6908 -149491.1715 296.5086 -183442.8622 -149405.9211 298.0866 -264.0085 -228.3109 559075.3560 1.1270 1.0783 PRESSURE: 4561800 -54.9293 -145.657 -116.889 -145.657 -32.6744 -53.0757 -116.889 -53.0766 0.641119 GPRESSURE: 4561800 -0.955106 -66.2109 -17.5186 -189.78 -24.0703 -75.1923 -223.695 -13.66 44.9791 PRESSAVG: 4561800 -3.20572 -41.0308 48.3737 -41.0308 5.70263 -57.3134 48.3737 -57.3134 -25.2156 GPRESSAVG: 4561800 -2.66471 -44.1478 48.8064 -38.9075 6.48593 -57.9568 47.987 -57.7828 -25.9177 TIMING: 4561800 CPU: 13545.7, 0.00294712/step Wall: 13545.7, 0.00294712/step, 0.35873 hours remaining, 207.878906 MB of memory in use. ENERGY: 4561800 747.6769 2099.8279 1924.2113 118.1281 -206595.4892 17964.3387 0.0000 0.0000 34008.8859 -149732.4204 297.0081 -183741.3062 -149637.9825 298.0202 -28.9875 6.6512 557765.9173 -7.5729 -7.3655 PRESSURE: 4562000 -67.5174 -27.2972 -69.9101 -27.2957 -18.4044 58.3734 -69.9105 58.3756 153.514 GPRESSURE: 4562000 -22.2632 -32.8285 -36.2031 0.393813 6.73532 40.863 -116.743 65.5368 170.588 PRESSAVG: 4562000 -19.4231 27.3164 19.9936 27.3164 11.345 14.5351 19.9936 14.5351 7.32806 GPRESSAVG: 4562000 -20.6497 29.7856 19.5402 27.2395 12.64 15.3346 19.4454 15.2888 7.26714 TIMING: 4562000 CPU: 13546.2, 0.0029398/step Wall: 13546.2, 0.0029398/step, 0.357675 hours remaining, 207.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4562000 736.0568 2104.5213 1870.7227 101.5827 -206641.4974 18041.7570 0.0000 0.0000 34019.6281 -149767.2288 297.1019 -183786.8570 -149671.9121 297.8878 22.5309 51.6866 557464.6070 -0.2500 -0.2475 PRESSURE: 4562200 65.5662 119.853 -42.2254 119.855 347.769 30.8462 -42.224 30.847 40.8524 GPRESSURE: 4562200 113.62 53.1325 2.97758 107.554 403.286 57.2639 -38.874 -17.2266 37.1441 PRESSAVG: 4562200 -42.3888 -2.03563 3.65889 -2.03552 46.7672 22.3269 3.65887 22.3269 14.2403 GPRESSAVG: 4562200 -40.6935 -1.65221 4.95266 -0.0516337 46.0042 23.7777 3.38542 20.1831 13.3354 TIMING: 4562200 CPU: 13546.8, 0.00292938/step Wall: 13546.8, 0.00292938/step, 0.356245 hours remaining, 207.878906 MB of memory in use. ENERGY: 4562200 717.6216 2013.7308 1913.5665 125.3683 -206534.5903 18013.2026 0.0000 0.0000 34171.3046 -149579.7959 298.4265 -183751.1005 -149487.3331 297.7525 151.3957 184.6834 557442.2897 6.2063 6.2154 PRESSURE: 4562400 12.1149 125.318 82.9616 125.318 -74.3785 43.4487 82.9606 43.4484 103.813 GPRESSURE: 4562400 40.6013 12.6128 82.4219 163.51 -45.7134 5.52841 35.1079 -16.2182 137.81 PRESSAVG: 4562400 -28.9057 -13.9841 36.4899 -13.9841 18.0098 -4.0177 36.4899 -4.01766 7.92152 GPRESSAVG: 4562400 -30.4072 -15.7959 34.1768 -14.622 18.7935 -5.18017 38.8706 -1.53833 8.85324 TIMING: 4562400 CPU: 13547.4, 0.0029415/step Wall: 13547.4, 0.0029415/step, 0.357556 hours remaining, 207.878906 MB of memory in use. ENERGY: 4562400 743.3553 2078.3364 1898.0130 115.2195 -206319.7557 17838.2733 0.0000 0.0000 34055.0562 -149591.5020 297.4113 -183646.5582 -149497.6151 298.3658 13.8497 44.2328 556112.9812 -0.9915 -0.9202 PRESSURE: 4562600 160.212 -76.2907 43.7413 -76.2907 -138.566 -232.355 43.7408 -232.354 -195.548 GPRESSURE: 4562600 206.219 -72.0519 111.59 -12.8838 -153.786 -246.771 -79.7979 -194.084 -128.62 PRESSAVG: 4562600 9.20535 -8.11661 -9.01273 -8.11665 4.05647 -44.9257 -9.01281 -44.9258 -46.2669 GPRESSAVG: 4562600 8.99858 -8.12113 -6.96312 -7.35509 2.93 -43.9446 -10.9244 -45.9364 -45.2572 TIMING: 4562600 CPU: 13548, 0.00293776/step Wall: 13548, 0.00293776/step, 0.356938 hours remaining, 207.878906 MB of memory in use. ENERGY: 4562600 746.7934 2091.0097 1895.8575 108.1273 -206298.8895 17760.7946 0.0000 0.0000 34212.1801 -149484.1269 298.7835 -183696.3070 -149390.6365 298.0146 -57.9675 -25.3954 556894.7005 -11.0017 -11.1095 PRESSURE: 4562800 -90.4759 45.4818 -256.66 45.4819 -28.0065 -25.7476 -256.661 -25.7483 -57.4748 GPRESSURE: 4562800 -95.9382 42.0342 -293.412 -5.70622 39.6832 43.7753 -259.725 -15.6348 -15.8932 PRESSAVG: 4562800 13.7129 -17.9925 -9.14114 -17.9925 21.186 -28.7686 -9.14121 -28.7687 -38.6356 GPRESSAVG: 4562800 14.4996 -18.6369 -8.63443 -17.5522 21.2003 -28.3616 -8.34842 -28.2127 -39.5863 TIMING: 4562800 CPU: 13548.6, 0.00294666/step Wall: 13548.6, 0.00294666/step, 0.357855 hours remaining, 207.878906 MB of memory in use. ENERGY: 4562800 740.5129 2126.5545 1924.1090 119.6074 -206035.4393 17680.7931 0.0000 0.0000 33980.1349 -149463.7274 296.7570 -183443.8623 -149373.0455 299.2770 -58.6524 -24.0494 557343.6761 -1.2456 -1.2955 PRESSURE: 4563000 -81.5963 -28.425 -202.592 -28.4234 -182.87 27.0389 -202.592 27.0413 -209.593 GPRESSURE: 4563000 26.9585 -70.2062 -212.009 19.9583 -136.649 12.8988 -101.738 19.895 -269.293 PRESSAVG: 4563000 11.7045 19.5426 -26.2302 19.5426 1.93284 47.1701 -26.2302 47.1701 -33.8837 GPRESSAVG: 4563000 12.171 22.2834 -25.9462 17.4463 1.39111 44.8872 -25.8784 48.3293 -33.9478 TIMING: 4563000 CPU: 13549.2, 0.00293065/step Wall: 13549.2, 0.00293065/step, 0.355749 hours remaining, 207.878906 MB of memory in use. ENERGY: 4563000 766.8515 2042.2774 1900.7323 121.4596 -206300.5616 17610.2172 0.0000 0.0000 34339.1570 -149519.8666 299.8924 -183859.0236 -149424.4255 298.0704 -158.0195 -126.3278 558202.7693 -6.7488 -6.7952 PRESSURE: 4563200 -332.863 -91.9373 50.9586 -91.9368 -112.277 -81.5863 50.9582 -81.5864 -224.922 GPRESSURE: 4563200 -284.178 -111.301 155.432 -187.901 -107.681 -149.756 37.2515 -60.1999 -178.839 PRESSAVG: 4563200 -33.4442 -10.1568 19.2308 -10.1568 -3.60745 -20.451 19.2308 -20.4512 0.905454 GPRESSAVG: 4563200 -33.7088 -10.495 17.3245 -11.4842 -3.79681 -19.2971 18.4631 -22.2597 1.01612 TIMING: 4563200 CPU: 13549.8, 0.00292022/step Wall: 13549.8, 0.00292022/step, 0.35432 hours remaining, 207.878906 MB of memory in use. ENERGY: 4563200 788.4893 2085.6359 1914.8109 108.4439 -206580.5987 17839.2565 0.0000 0.0000 34232.3359 -149611.6263 298.9595 -183843.9622 -149520.2123 299.3431 -223.3541 -190.2329 558987.2808 -12.0487 -12.1632 PRESSURE: 4563400 -41.038 -68.1443 2.9075 -68.1434 -88.622 -61.0468 2.90755 -61.047 -99.4335 GPRESSURE: 4563400 -24.5849 -17.9733 39.6795 -86.0925 -79.8384 -62.966 -77.5789 -91.6032 -26.7641 PRESSAVG: 4563400 -43.4806 2.91075 7.62727 2.91071 55.8769 -30.6047 7.62731 -30.6048 -3.29705 GPRESSAVG: 4563400 -44.9855 2.01577 8.4819 1.51678 56.7726 -30.9232 8.26887 -30.2676 -2.60044 TIMING: 4563400 CPU: 13550.3, 0.00289883/step Wall: 13550.3, 0.00289883/step, 0.351564 hours remaining, 207.878906 MB of memory in use. ENERGY: 4563400 776.1658 2143.5405 1907.1835 107.1963 -206381.3440 17842.0273 0.0000 0.0000 33927.5419 -149677.6888 296.2977 -183605.2307 -149577.4939 298.2642 -76.3645 -43.7291 557564.9885 3.0331 3.0622 PRESSURE: 4563600 251.058 29.4227 86.0066 29.4226 140.686 -46.9135 86.0067 -46.9138 -51.8834 GPRESSURE: 4563600 237.342 47.4215 66.822 82.1933 211.615 -133.302 70.5033 49.4258 -8.564 PRESSAVG: 4563600 -54.9171 -35.3915 33.0795 -35.3914 39.8834 -66.1629 33.0795 -66.1629 -11.111 GPRESSAVG: 4563600 -53.5874 -35.2112 33.8092 -33.625 39.0738 -67.4214 32.683 -65.5856 -11.5945 TIMING: 4563600 CPU: 13550.9, 0.00292651/step Wall: 13550.9, 0.00292651/step, 0.354758 hours remaining, 207.878906 MB of memory in use. ENERGY: 4563600 744.6254 2050.8627 1919.9542 124.2686 -206417.2690 17969.0052 0.0000 0.0000 33987.4000 -149621.1529 296.8204 -183608.5530 -149516.2134 297.9655 113.2868 146.7977 557379.9693 -8.7149 -8.7027 PRESSURE: 4563800 -169.214 121.326 -12.6327 121.327 -2.69961 -13.4761 -12.6322 -13.4758 -261.818 GPRESSURE: 4563800 -166.169 33.1545 -54.8709 140.31 16.5159 -44.6104 -78.4639 23.579 -188.468 PRESSAVG: 4563800 60.8874 -60.1849 48.9896 -60.1849 16.0322 0.489912 48.9896 0.490073 1.21013 GPRESSAVG: 4563800 60.6186 -59.7568 47.7235 -60.4495 15.0164 2.33719 51.2849 0.942907 1.90957 TIMING: 4563800 CPU: 13551.5, 0.0029409/step Wall: 13551.5, 0.0029409/step, 0.356339 hours remaining, 207.878906 MB of memory in use. ENERGY: 4563800 747.8846 2094.7358 1920.9094 112.3101 -206320.5407 17661.9045 0.0000 0.0000 34223.9777 -149558.8187 298.8865 -183782.7963 -149464.2382 298.1870 -144.5771 -112.7067 557798.4511 26.0433 25.8482 PRESSURE: 4564000 -49.1676 81.5759 -40.8161 81.5754 -47.9563 73.0724 -40.816 73.0716 184.293 GPRESSURE: 4564000 -36.8634 122.429 -41.8435 61.4549 -44.066 27.3343 -56.6726 28.1648 266.511 PRESSAVG: 4564000 -26.7706 32.7478 -3.77098 32.7478 -50.9203 4.70638 -3.77101 4.70645 64.5821 GPRESSAVG: 4564000 -27.1145 31.9406 -3.69564 33.208 -51.2351 3.84882 -5.15647 3.37274 65.1133 TIMING: 4564000 CPU: 13552.1, 0.00295524/step Wall: 13552.1, 0.00295524/step, 0.357912 hours remaining, 207.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4564000 751.1999 2047.2742 1917.8998 105.5851 -206224.9074 17808.2644 0.0000 0.0000 34066.1430 -149528.5410 297.5081 -183594.6840 -149425.3703 298.7722 29.0564 61.8604 557005.3430 -4.3696 -4.4121 PRESSURE: 4564200 -12.0247 59.0454 22.3495 59.0457 -238.584 57.7434 22.3505 57.7448 -214.558 GPRESSURE: 4564200 12.6395 -8.57099 22.6314 -7.95198 -162.318 2.20344 63.0668 125.284 -227.616 PRESSAVG: 4564200 -54.7334 10.9677 25.9214 10.9678 72.7994 79.7761 25.9212 79.7761 -13.0215 GPRESSAVG: 4564200 -54.7777 10.7786 25.5611 10.5924 74.3499 79.4727 27.2428 80.2218 -14.7997 TIMING: 4564200 CPU: 13552.7, 0.00293408/step Wall: 13552.7, 0.00293408/step, 0.355187 hours remaining, 207.878906 MB of memory in use. ENERGY: 4564200 760.4173 2129.4955 1923.8724 111.5845 -206032.9342 17619.4368 0.0000 0.0000 34054.3388 -149433.7889 297.4050 -183488.1277 -149341.9665 298.7849 -155.0557 -125.7649 557790.7587 1.6815 1.5908 LDB: ============= START OF LOAD BALANCING ============== 13556.2 LDB: ============== END OF LOAD BALANCING =============== 13556.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13556.2 LDB: ============= START OF LOAD BALANCING ============== 13556.5 LDB: Largest compute 4801 load 0.021017 is 17.8% of average load 0.118219 LDB: Average compute 0.001735 is 1.5% of average load 0.118219 LDB: TIME 13556.5 LOAD: AVG 0.118219 MAX 0.195848 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.309 MB LDB: TIME 13556.5 LOAD: AVG 0.118219 MAX 0.195848 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.309 MB LDB: TIME 13556.5 LOAD: AVG 0.118219 MAX 0.195848 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.309 MB LDB: ============== END OF LOAD BALANCING =============== 13556.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13556.5 PRESSURE: 4564400 -4.46095 -0.160104 -135.424 -0.161037 12.5747 -13.3652 -135.424 -13.3662 -97.8657 GPRESSURE: 4564400 48.9405 46.7221 -113.6 14.3944 42.8643 53.4921 -71.6687 -139.261 -80.1703 PRESSAVG: 4564400 -31.2828 0.923131 31.6513 0.923091 -32.0265 3.19001 31.6513 3.19008 36.7181 GPRESSAVG: 4564400 -31.2142 -0.104881 32.7979 2.18052 -32.5237 5.36285 29.7641 1.69724 37.9767 TIMING: 4564400 CPU: 13553.3, 0.00298603/step Wall: 13553.3, 0.00298603/step, 0.36131 hours remaining, 209.054688 MB of memory in use. ENERGY: 4564400 730.4733 2085.7402 1934.0920 112.0583 -205974.2725 17662.8498 0.0000 0.0000 34004.7211 -149444.3378 296.9717 -183449.0588 -149348.5977 298.8078 -29.9173 3.8782 557193.5868 -8.8637 -8.5871 PRESSURE: 4564600 -499.902 172.129 98.2091 172.13 -253.153 48.0298 98.21 48.0298 -177.751 GPRESSURE: 4564600 -415.46 104.08 82.7019 205.069 -259.744 17.9415 79.8557 148.968 -153.52 PRESSAVG: 4564600 -3.83217 -26.6167 -2.31103 -26.6168 -28.5983 12.3532 -2.31117 12.3531 93.2244 GPRESSAVG: 4564600 -3.78289 -24.1453 -1.18329 -28.0677 -28.2958 9.99391 -1.17834 14.0713 92.204 TIMING: 4564600 CPU: 13553.9, 0.00294988/step Wall: 13553.9, 0.00294988/step, 0.356771 hours remaining, 209.253906 MB of memory in use. ENERGY: 4564600 792.6334 2065.3714 1916.3411 108.7057 -206193.4936 17598.8608 0.0000 0.0000 34380.1902 -149331.3909 300.2508 -183711.5811 -149235.3225 298.8441 -310.2690 -276.2411 556789.4288 20.2647 20.0418 PRESSURE: 4564800 -91.187 -43.9828 55.0025 -43.9844 -130.975 -246.062 55.0029 -246.063 -105.24 GPRESSURE: 4564800 -66.9012 -19.3206 28.6428 -64.4988 -68.5615 -210.262 39.7447 -187.122 -96.9852 PRESSAVG: 4564800 14.1865 -34.3958 25.3467 -34.396 -2.93825 -44.5974 25.3467 -44.5975 -24.0214 GPRESSAVG: 4564800 14.8899 -35.4509 23.4691 -35.3618 -3.91029 -43.4722 24.8468 -43.67 -23.6838 TIMING: 4564800 CPU: 13554.5, 0.00294898/step Wall: 13554.5, 0.00294898/step, 0.356499 hours remaining, 209.253906 MB of memory in use. ENERGY: 4564800 736.6052 2016.3966 1907.3022 107.0719 -206346.5286 17710.4278 0.0000 0.0000 34204.6882 -149664.0368 298.7180 -183868.7250 -149565.5984 299.0042 -109.1340 -77.4827 556123.7866 -4.2577 -4.2347 PRESSURE: 4565000 124.221 4.34601 147.642 4.34495 -253.352 115.039 147.642 115.04 41.8998 GPRESSURE: 4565000 95.5455 -71.0762 153.793 115.528 -137.169 140.044 166.618 134.868 35.3387 PRESSAVG: 4565000 28.4054 -35.8491 6.3698 -35.8491 3.84693 25.9676 6.3698 25.9677 -45.275 GPRESSAVG: 4565000 28.4998 -34.9152 7.70602 -36.2032 4.27257 25.8836 6.4905 24.9107 -45.9786 TIMING: 4565000 CPU: 13555.1, 0.00294369/step Wall: 13555.1, 0.00294369/step, 0.355696 hours remaining, 209.253906 MB of memory in use. ENERGY: 4565000 713.4591 2105.2266 1933.3595 117.2728 -206709.3573 18014.4424 0.0000 0.0000 34066.9714 -149758.6254 297.5153 -183825.5969 -149659.8250 298.2330 -29.0770 -2.0948 556437.2064 -4.3409 -4.4021 PRESSURE: 4565200 -95.9729 115.511 -82.5497 115.51 -40.5174 -44.1311 -82.5494 -44.1309 91.111 GPRESSURE: 4565200 -58.0691 174.979 -49.83 91.5933 -16.4466 -102.823 -28.8829 -70.4044 123.262 PRESSAVG: 4565200 17.9088 0.689045 7.43815 0.689093 -40.413 10.7277 7.4381 10.7278 29.9986 GPRESSAVG: 4565200 16.8689 2.32044 6.57721 1.96813 -40.1055 11.6604 8.6895 11.4326 30.8004 TIMING: 4565200 CPU: 13555.6, 0.00293608/step Wall: 13555.6, 0.00293608/step, 0.354614 hours remaining, 209.253906 MB of memory in use. ENERGY: 4565200 725.1064 2117.3338 1953.6807 115.8120 -206394.6242 17792.2629 0.0000 0.0000 34157.8680 -149532.5603 298.3092 -183690.4283 -149438.5423 298.7104 -15.1265 16.2488 556780.2819 2.4981 2.5213 PRESSURE: 4565400 91.0234 -270.403 -38.4952 -270.402 -147.951 -15.4123 -38.4951 -15.4119 22.9102 GPRESSURE: 4565400 142.658 -299.638 3.11253 -224.161 -106.862 -118.174 -105.277 42.2352 39.6736 PRESSAVG: 4565400 41.7019 -2.03382 18.0793 -2.0339 -39.4989 -26.3921 18.0793 -26.3921 -39.7597 GPRESSAVG: 4565400 41.5635 -3.12094 18.285 -3.26715 -39.2549 -28.1019 19.2366 -27.5099 -39.3986 TIMING: 4565400 CPU: 13556.2, 0.00293602/step Wall: 13556.2, 0.00293602/step, 0.354443 hours remaining, 209.253906 MB of memory in use. ENERGY: 4565400 737.7502 2093.6952 1923.7778 107.6492 -206398.8179 17883.7922 0.0000 0.0000 34230.9103 -149421.2429 298.9471 -183652.1532 -149323.1785 298.7293 -11.3391 25.1568 556201.2919 -12.5189 -12.3633 PRESSURE: 4565600 26.0643 33.164 -40.0974 33.1644 -88.0129 -36.009 -40.099 -36.0081 105.437 GPRESSURE: 4565600 25.3813 33.6 11.487 101.137 -29.301 -46.3597 -75.6126 -21.2587 140.4 PRESSAVG: 4565600 5.12642 13.2422 10.9497 13.2421 -32.6577 -5.34983 10.9498 -5.3499 28.1964 GPRESSAVG: 4565600 6.1812 12.2344 10.4204 15.1035 -33.8094 -5.54886 7.80953 -3.05149 28.5834 TIMING: 4565600 CPU: 13556.8, 0.00291905/step Wall: 13556.8, 0.00291905/step, 0.352232 hours remaining, 209.253906 MB of memory in use. ENERGY: 4565600 758.2345 2107.7039 1889.0051 87.6375 -206137.1172 17758.9815 0.0000 0.0000 34242.9427 -149292.6119 299.0521 -183535.5546 -149199.7678 299.3911 14.4963 45.4936 558004.3859 0.2217 0.3184 PRESSURE: 4565800 91.1785 -100.096 -28.3048 -100.097 -6.80238 111.872 -28.3041 111.873 121.611 GPRESSURE: 4565800 44.734 -92.2754 -38.486 -64.5874 74.523 41.3053 -24.0073 111.786 186.485 PRESSAVG: 4565800 -28.0936 -57.8146 -13.932 -57.8147 13.0695 -43.7895 -13.932 -43.7894 2.10691 GPRESSAVG: 4565800 -29.0634 -59.3895 -11.6005 -54.2575 13.2138 -42.595 -12.6905 -46.3889 2.75752 TIMING: 4565800 CPU: 13557.4, 0.00292711/step Wall: 13557.4, 0.00292711/step, 0.353042 hours remaining, 209.253906 MB of memory in use. ENERGY: 4565800 745.6077 2136.0023 1874.0145 119.2840 -206312.3015 17972.3871 0.0000 0.0000 34243.5985 -149221.4075 299.0579 -183465.0060 -149129.0887 299.7377 68.6623 101.9140 557357.2469 -4.3057 -4.3640 PRESSURE: 4566000 371.162 -3.9282 59.6158 -3.92716 180.696 100.895 59.6166 100.895 139.039 GPRESSURE: 4566000 433.057 -34.9659 121.797 -7.4642 218.738 53.4605 -41.6764 85.156 134.671 PRESSAVG: 4566000 15.3618 17.0748 -1.9197 17.0748 -15.0282 -8.71683 -1.91969 -8.71678 11.5155 GPRESSAVG: 4566000 15.3655 18.5565 -2.72024 15.0847 -15.0368 -9.1498 -3.40786 -9.31967 11.5919 TIMING: 4566000 CPU: 13558, 0.00292643/step Wall: 13558, 0.00292643/step, 0.352797 hours remaining, 209.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4566000 750.0601 2127.7240 1886.7498 111.1205 -206432.8416 18179.7209 0.0000 0.0000 34188.6944 -149188.7718 298.5784 -183377.4662 -149092.6321 299.5804 230.2990 262.1554 556956.9178 3.9497 3.9736 PRESSURE: 4566200 -46.8672 66.71 57.2867 66.7098 166.41 -20.3195 57.2869 -20.3208 -44.9626 GPRESSURE: 4566200 3.54849 42.5281 38.7962 84.0809 182.573 -0.681141 19.8436 6.37112 1.45363 PRESSAVG: 4566200 -18.5822 27.5031 -18.9531 27.5032 43.2673 3.42552 -18.9531 3.42559 -60.481 GPRESSAVG: 4566200 -18.0598 28.4994 -18.544 25.8992 43.3585 4.21707 -16.0351 4.17584 -61.1069 TIMING: 4566200 CPU: 13558.6, 0.00294298/step Wall: 13558.6, 0.00294298/step, 0.354629 hours remaining, 209.253906 MB of memory in use. ENERGY: 4566200 769.8652 2132.9207 1920.2545 108.6248 -206450.4562 18005.0965 0.0000 0.0000 34348.1558 -149165.5388 299.9710 -183513.6946 -149067.4685 299.7268 24.8602 62.5252 557818.4919 -11.9320 -11.9361 PRESSURE: 4566400 60.2607 13.4521 -239.305 13.4517 12.9583 -24.8005 -239.308 -24.8003 -10.8784 GPRESSURE: 4566400 93.0161 -11.4997 -206.193 68.6829 49.1908 -0.835793 -216.474 -17.807 27.6378 PRESSAVG: 4566400 -1.22132 7.11765 2.03822 7.11759 44.9925 -10.6641 2.03819 -10.6639 -43.669 GPRESSAVG: 4566400 -1.62549 6.06382 1.33625 5.90958 45.0679 -11.6385 0.292176 -10.9832 -43.23 TIMING: 4566400 CPU: 13559.2, 0.00295136/step Wall: 13559.2, 0.00295136/step, 0.355475 hours remaining, 209.253906 MB of memory in use. ENERGY: 4566400 737.9085 2114.9865 1944.7382 124.7636 -206050.9543 17820.0664 0.0000 0.0000 34097.2091 -149211.2821 297.7794 -183308.4912 -149114.3492 299.4697 20.7802 56.6149 557553.5204 0.0341 0.0708 PRESSURE: 4566600 -16.579 -21.9939 175.14 -21.9946 -195.012 77.6646 175.141 77.6636 -268.746 GPRESSURE: 4566600 22.5117 0.625114 166.367 -50.7151 -168.604 77.2421 170.156 38.9002 -235.365 PRESSAVG: 4566600 25.9967 -6.15268 -17.0019 -6.15252 -56.079 9.20455 -17.002 9.20446 -0.490785 GPRESSAVG: 4566600 25.9377 -7.62505 -17.8305 -3.55247 -56.2866 9.41702 -17.0071 10.0963 -0.446253 TIMING: 4566600 CPU: 13559.8, 0.00294983/step Wall: 13559.8, 0.00294983/step, 0.355127 hours remaining, 209.253906 MB of memory in use. ENERGY: 4566600 760.2719 2108.9214 1926.9524 125.2193 -205673.5016 17342.6922 0.0000 0.0000 34213.8490 -149195.5953 298.7981 -183409.4443 -149094.3603 298.8811 -160.1124 -127.1525 556404.6007 -10.1910 -10.2650 PRESSURE: 4566800 130.383 -88.7732 15.2881 -88.7743 -0.733132 213.372 15.2887 213.371 -390.811 GPRESSURE: 4566800 193.635 -106.034 -4.65538 -74.7361 8.23611 240.005 51.1002 188.737 -362.344 PRESSAVG: 4566800 0.398257 -0.334283 48.4526 -0.334359 -26.0178 -3.11614 48.4526 -3.11599 -2.67133 GPRESSAVG: 4566800 0.511386 2.70034 48.8731 -2.13864 -26.3223 -2.84122 50.821 -2.77777 -2.97019 TIMING: 4566800 CPU: 13560.4, 0.00296936/step Wall: 13560.4, 0.00296936/step, 0.357313 hours remaining, 209.253906 MB of memory in use. ENERGY: 4566800 764.8595 2090.6110 1911.5767 123.1425 -205609.1364 17457.2746 0.0000 0.0000 34239.1062 -149022.5660 299.0186 -183261.6722 -148921.3367 299.5294 -87.0536 -53.4908 557725.8855 -9.4303 -9.5937 PRESSURE: 4567000 70.6516 14.87 67.7312 14.8702 -319.131 -150.268 67.7314 -150.267 -254.063 GPRESSURE: 4567000 103.606 -66.1034 169.904 66.2421 -295.969 -160.024 49.1636 -138.586 -210.381 PRESSAVG: 4567000 14.9841 -17.4417 -7.52952 -17.4417 14.9678 25.4248 -7.52946 25.4249 -0.642344 GPRESSAVG: 4567000 15.4632 -18.4056 -4.86677 -16.2474 15.9048 25.8607 -10.9318 24.1042 -1.73241 TIMING: 4567000 CPU: 13560.9, 0.00292515/step Wall: 13560.9, 0.00292515/step, 0.351831 hours remaining, 209.253906 MB of memory in use. ENERGY: 4567000 776.4929 2046.6678 1923.0309 118.4096 -205806.9864 17544.7650 0.0000 0.0000 34483.8814 -148913.7388 301.1563 -183397.6202 -148809.5548 300.1485 -167.5143 -134.2480 558144.5507 9.7699 9.8785 PRESSURE: 4567200 -160.621 41.4218 14.4299 41.4216 307.369 -52.8678 14.4302 -52.867 -97.7169 GPRESSURE: 4567200 -165.987 21.939 13.8798 40.4746 323.756 -6.10461 57.7322 -82.4124 -12.6582 PRESSAVG: 4567200 -34.3531 -1.37303 1.732 -1.37309 74.9624 25.429 1.732 25.4289 -55.5726 GPRESSAVG: 4567200 -33.7163 -2.17514 -2.3269 -3.1369 74.686 26.2709 5.51411 25.1175 -55.8681 TIMING: 4567200 CPU: 13561.5, 0.00292051/step Wall: 13561.5, 0.00292051/step, 0.35111 hours remaining, 209.253906 MB of memory in use. ENERGY: 4567200 731.9267 2110.9200 1968.0526 109.5469 -206188.9388 17855.0670 0.0000 0.0000 34432.8656 -148980.5601 300.7108 -183413.4256 -148887.3644 300.5452 16.3436 48.3703 557922.9474 -4.9878 -4.9661 PRESSURE: 4567400 -165.657 163.285 5.67498 163.285 47.3747 11.1242 5.67712 11.1257 -191.001 GPRESSURE: 4567400 -119.727 132.083 -27.1683 179.504 52.6055 40.0138 -139.785 -15.799 -139.48 PRESSAVG: 4567400 -59.0786 55.3144 -18.2925 55.3144 0.0547343 19.6597 -18.2925 19.6598 27.6743 GPRESSAVG: 4567400 -59.6853 56.6062 -14.8424 55.444 -0.324606 19.7788 -22.2136 19.3475 28.7061 TIMING: 4567400 CPU: 13562.1, 0.0029565/step Wall: 13562.1, 0.0029565/step, 0.355273 hours remaining, 209.253906 MB of memory in use. ENERGY: 4567400 766.5978 2115.0758 1932.4116 107.2411 -206080.9405 17848.6633 0.0000 0.0000 34257.8565 -149053.0943 299.1824 -183310.9508 -148956.4874 299.5095 -103.0945 -68.8673 559717.1481 -10.4499 -10.4346 PRESSURE: 4567600 -171.307 86.3989 85.2841 86.3987 49.8523 22.8409 85.284 22.8403 108.443 GPRESSURE: 4567600 -169.144 100.104 66.7439 189.867 103.029 -5.00526 115.274 59.2603 161.052 PRESSAVG: 4567600 7.3897 56.5996 12.5306 56.5996 -13.9036 69.8838 12.5305 69.8839 21.8369 GPRESSAVG: 4567600 7.85728 54.3004 9.69688 58.242 -13.8559 69.0357 14.9448 71.2128 20.7163 TIMING: 4567600 CPU: 13562.7, 0.00295166/step Wall: 13562.7, 0.00295166/step, 0.354527 hours remaining, 209.253906 MB of memory in use. ENERGY: 4567600 762.2748 2128.4067 1952.2062 100.4426 -206218.9237 17824.3099 0.0000 0.0000 34416.8676 -149034.4160 300.5711 -183451.2835 -148941.5353 300.4048 -4.3373 31.6454 557122.4845 5.1077 4.9059 PRESSURE: 4567800 -30.01 92.0185 12.46 92.0189 80.0137 -117.279 12.463 -117.28 75.3669 GPRESSURE: 4567800 32.577 76.4404 101.766 115.672 144.645 -7.44551 -30.4456 -96.4696 38.8757 PRESSAVG: 4567800 23.0228 19.2765 26.2764 19.2764 4.16763 -58.8058 26.2764 -58.8057 5.12641 GPRESSAVG: 4567800 22.2511 20.9584 28.8574 18.6898 4.37865 -58.4895 24.3764 -59.5331 5.77405 TIMING: 4567800 CPU: 13563.3, 0.0029462/step Wall: 13563.3, 0.0029462/step, 0.353708 hours remaining, 209.253906 MB of memory in use. ENERGY: 4567800 751.1800 2132.7279 1906.6205 104.5170 -206027.7943 17838.1611 0.0000 0.0000 34283.6368 -149010.9509 299.4075 -183294.5878 -148917.3623 299.7905 41.7902 72.0327 558449.2554 10.7723 10.8013 PRESSURE: 4568000 -385.997 197.312 -81.1525 197.312 -150.201 106.711 -81.1532 106.71 -332.299 GPRESSURE: 4568000 -346.806 152.051 -88.9073 173.434 -121.701 36.411 -102.819 123.832 -313.226 PRESSAVG: 4568000 -36.3393 18.5482 20.6597 18.5483 30.3296 -6.89607 20.6597 -6.89608 -6.00836 GPRESSAVG: 4568000 -36.4601 19.9147 18.3779 15.7488 30.7559 -5.30416 20.8189 -7.54379 -6.74069 TIMING: 4568000 CPU: 13563.9, 0.00293392/step Wall: 13563.9, 0.00293392/step, 0.352071 hours remaining, 209.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4568000 784.6403 2095.7486 1933.4193 110.6782 -205845.3048 17668.2534 0.0000 0.0000 34158.5989 -149093.9660 298.3155 -183252.5649 -148992.1260 299.8802 -289.4990 -260.5778 559746.3973 -4.0060 -4.1483 PRESSURE: 4568200 -70.3462 -19.3233 -182.686 -19.323 288.689 -141.13 -182.685 -141.13 -55.7033 GPRESSURE: 4568200 -49.4573 6.90443 -108.52 -81.1754 239.196 -88.1518 -229.426 -108.527 71.6666 PRESSAVG: 4568200 6.19108 8.9716 -69.2924 8.97162 21.6785 16.8988 -69.2923 16.8988 -52.0616 GPRESSAVG: 4568200 5.97141 8.32593 -69.7536 10.0317 20.6682 16.2547 -67.39 17.617 -51.1249 TIMING: 4568200 CPU: 13564.5, 0.00293639/step Wall: 13564.5, 0.00293639/step, 0.352204 hours remaining, 209.253906 MB of memory in use. ENERGY: 4568200 753.1301 2146.8219 1945.9525 112.1010 -206183.8533 17879.7669 0.0000 0.0000 34425.0258 -148921.0553 300.6423 -183346.0810 -148825.8633 299.6880 54.2131 87.1351 558315.8960 -8.0640 -8.1618 LDB: ============= START OF LOAD BALANCING ============== 13568 LDB: ============== END OF LOAD BALANCING =============== 13568 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13568 LDB: ============= START OF LOAD BALANCING ============== 13568.3 LDB: Largest compute 4801 load 0.021594 is 18.3% of average load 0.118309 LDB: Average compute 0.001732 is 1.5% of average load 0.118309 LDB: TIME 13568.3 LOAD: AVG 0.118309 MAX 0.196626 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.863 MB LDB: TIME 13568.3 LOAD: AVG 0.118309 MAX 0.196626 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: TIME 13568.3 LOAD: AVG 0.118309 MAX 0.196626 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: ============== END OF LOAD BALANCING =============== 13568.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13568.3 PRESSURE: 4568400 -345.825 -141.986 -94.5807 -141.987 -21.8615 -148.355 -94.5817 -148.353 -32.0753 GPRESSURE: 4568400 -302.721 -143.449 -118.28 -135.118 42.4773 -179.647 -220.918 -82.5875 -27.381 PRESSAVG: 4568400 -32.3553 -28.7387 -69.0043 -28.7388 23.0262 34.9914 -69.0043 34.9913 -5.02298 GPRESSAVG: 4568400 -32.6177 -28.2081 -66.0101 -27.0317 23.8815 34.3745 -70.9022 35.0745 -5.60926 TIMING: 4568400 CPU: 13565.1, 0.0029731/step Wall: 13565.1, 0.0029731/step, 0.356442 hours remaining, 208.808594 MB of memory in use. ENERGY: 4568400 780.4999 2140.1179 1930.1487 112.6710 -205783.9334 17563.1845 0.0000 0.0000 34350.6052 -148906.7063 299.9924 -183257.3115 -148809.9077 300.2827 -133.2538 -95.8749 557849.1942 -4.7840 -4.7818 PRESSURE: 4568600 -93.088 8.47197 -59.5322 8.47247 -24.0741 117.304 -59.533 117.305 -120.701 GPRESSURE: 4568600 11.8368 40.4951 -53.884 60.1391 -39.5754 96.1985 -92.9102 20.8509 -111.805 PRESSAVG: 4568600 -46.449 -32.5935 -58.3835 -32.5935 -7.39281 -14.7311 -58.3834 -14.731 25.2146 GPRESSAVG: 4568600 -45.3693 -32.6242 -58.4139 -33.4071 -7.91467 -15.0051 -58.5475 -14.5221 24.6358 TIMING: 4568600 CPU: 13565.6, 0.0029425/step Wall: 13565.6, 0.0029425/step, 0.352609 hours remaining, 209.011719 MB of memory in use. ENERGY: 4568600 772.0914 2184.2803 1947.7356 115.6664 -205821.0836 17624.9560 0.0000 0.0000 34286.1650 -148890.1889 299.4296 -183176.3539 -148790.3701 300.4010 -79.2877 -46.5145 557347.7372 -9.5424 -9.5494 PRESSURE: 4568800 226.298 -75.0161 -16.8374 -75.0164 26.6533 88.975 -16.837 88.9747 336.724 GPRESSURE: 4568800 218.178 10.7724 -11.095 -97.9052 146.065 170.263 16.3024 -9.06832 331.91 PRESSAVG: 4568800 4.35447 -3.46054 28.7292 -3.46053 -6.34451 2.18187 28.7293 2.18185 -27.0598 GPRESSAVG: 4568800 4.30291 -3.50433 27.1251 -4.33087 -5.87948 2.42023 29.477 2.49523 -26.9375 TIMING: 4568800 CPU: 13566.2, 0.00295024/step Wall: 13566.2, 0.00295024/step, 0.353374 hours remaining, 209.011719 MB of memory in use. ENERGY: 4568800 705.9555 2099.3505 1952.9072 112.9996 -205945.2594 17770.9818 0.0000 0.0000 34238.0790 -149064.9857 299.0097 -183303.0648 -148974.9855 300.2308 196.5586 232.0512 554467.2797 -9.6833 -9.5047 PRESSURE: 4569000 -222.747 91.1071 116.514 91.1084 51.3741 29.3188 116.513 29.3206 -177.793 GPRESSURE: 4569000 -233.638 147.986 127.566 48.3316 112.199 92.0087 109.225 -22.7661 -138.503 PRESSAVG: 4569000 -44.9181 19.0399 14.7693 19.0399 48.2351 -44.679 14.7693 -44.6791 13.9056 GPRESSAVG: 4569000 -46.8249 18.3862 13.358 18.4057 49.5512 -44.729 16.8779 -45.9416 14.6993 TIMING: 4569000 CPU: 13566.8, 0.00292375/step Wall: 13566.8, 0.00292375/step, 0.350038 hours remaining, 209.011719 MB of memory in use. ENERGY: 4569000 734.6617 2021.5068 1946.6007 116.6627 -205524.2510 17370.0858 0.0000 0.0000 34191.9933 -149142.7401 298.6072 -183334.7335 -149045.4981 300.1642 -116.3887 -86.6472 556491.7197 5.7409 5.8085 PRESSURE: 4569200 -17.0096 112.546 -30.194 112.546 -191.791 -30.127 -30.1946 -30.129 69.7404 GPRESSURE: 4569200 2.55665 203.234 -12.0971 70.5408 -150.201 7.18939 -47.4592 -7.90139 103.917 PRESSAVG: 4569200 15.4977 15.076 4.53863 15.076 -19.9026 -13.9725 4.53872 -13.9727 21.6785 GPRESSAVG: 4569200 17.7279 13.4309 5.67242 17.7643 -22.057 -13.5683 2.01903 -14.3244 21.5058 TIMING: 4569200 CPU: 13567.4, 0.00294757/step Wall: 13567.4, 0.00294757/step, 0.352726 hours remaining, 209.011719 MB of memory in use. ENERGY: 4569200 772.3542 2066.7987 1939.0485 119.8915 -205989.6027 17780.1437 0.0000 0.0000 34286.2319 -149025.1341 299.4302 -183311.3660 -148929.9633 299.7671 -46.3535 -14.5759 557233.0826 5.7579 5.7256 PRESSURE: 4569400 51.0396 -31.6493 -216.027 -31.6498 -58.0833 7.26858 -216.027 7.26933 -142.959 GPRESSURE: 4569400 106.34 -1.74554 -242.712 -29.7026 -72.2266 -12.8564 -182.839 72.6995 -94.0501 PRESSAVG: 4569400 -0.928326 80.3028 8.1078 80.3029 39.827 -15.8928 8.10781 -15.8928 -1.58573 GPRESSAVG: 4569400 -1.80974 81.2505 6.56747 79.4871 41.3052 -14.8924 9.7654 -13.4889 -2.26451 TIMING: 4569400 CPU: 13568, 0.00297923/step Wall: 13568, 0.00297923/step, 0.356348 hours remaining, 209.011719 MB of memory in use. ENERGY: 4569400 715.0255 2069.3229 1929.5231 105.3198 -206062.2236 17671.1640 0.0000 0.0000 34541.1180 -149030.7503 301.6562 -183571.8683 -148933.8908 300.2680 -50.0010 -19.9790 557155.8691 12.4377 12.4103 PRESSURE: 4569600 82.4985 12.333 -14 12.3326 54.7774 -65.6166 -13.9987 -65.6168 53.1643 GPRESSURE: 4569600 125.519 -40.4643 -100.278 60.4151 46.2706 -10.4785 -40.7346 -133.249 124.041 PRESSAVG: 4569600 -9.22808 10.9229 -13.6799 10.923 32.7024 -34.3936 -13.68 -34.3936 -20.3982 GPRESSAVG: 4569600 -8.93523 11.5978 -12.424 12.5644 31.2302 -37.4039 -14.4965 -34.5386 -18.9992 TIMING: 4569600 CPU: 13568.6, 0.00294608/step Wall: 13568.6, 0.00294608/step, 0.35222 hours remaining, 209.011719 MB of memory in use. ENERGY: 4569600 764.0978 2018.4122 1938.4402 113.5395 -206563.9393 18023.6284 0.0000 0.0000 34641.0931 -149064.7282 302.5293 -183705.8213 -148967.0268 300.0197 63.4801 98.6103 555904.8801 1.0254 1.0986 PRESSURE: 4569800 -150.673 -54.3932 58.8589 -54.3942 261.468 -86.2167 58.859 -86.2163 -213.843 GPRESSURE: 4569800 -121.109 -119.641 78.8626 3.75984 292.539 0.284952 144.813 -63.4738 -175.385 PRESSAVG: 4569800 24.2031 -13.9416 32.666 -13.9416 22.6295 -66.6441 32.666 -66.6441 -9.63349 GPRESSAVG: 4569800 24.7895 -13.2824 33.0647 -15.7919 23.6986 -64.2696 31.235 -68.6314 -10.8389 TIMING: 4569800 CPU: 13569.2, 0.00292892/step Wall: 13569.2, 0.00292892/step, 0.350006 hours remaining, 209.011719 MB of memory in use. ENERGY: 4569800 727.5443 2104.1638 1955.2990 102.9566 -206340.8537 17886.3777 0.0000 0.0000 34344.9809 -149219.5314 299.9433 -183564.5123 -149125.7732 300.0481 -34.3493 -1.3183 556799.2479 12.3997 12.5497 PRESSURE: 4570000 -317.084 31.2903 -27.814 31.2906 -99.8374 28.5494 -27.8146 28.5488 -76.2849 GPRESSURE: 4570000 -252.268 34.1195 -13.7692 21.4089 -83.4245 23.9531 -66.0721 -24.4786 -64.696 PRESSAVG: 4570000 -1.53951 1.3815 -8.49018 1.38152 -13.5624 -19.276 -8.49009 -19.276 37.7147 GPRESSAVG: 4570000 -1.14136 0.65112 -7.25456 1.85234 -13.8549 -21.7002 -8.05953 -18.0507 37.6695 TIMING: 4570000 CPU: 13569.8, 0.00294792/step Wall: 13569.8, 0.00294792/step, 0.352112 hours remaining, 209.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4570000 739.2884 2047.9603 1931.3094 116.4308 -206046.0694 17728.7883 0.0000 0.0000 34311.8904 -149170.4018 299.6543 -183482.2922 -149063.5261 299.5684 -164.4022 -133.4629 559163.8215 7.5376 7.5577 PRESSURE: 4570200 -81.8183 -42.4109 -91.3898 -42.4099 13.9065 -2.18423 -91.3882 -2.18298 231.613 GPRESSURE: 4570200 -12.0703 -11.7797 -97.013 -67.686 -15.5795 -29.5309 -132.657 -3.76036 280.589 PRESSAVG: 4570200 15.5011 -48.1424 -18.5295 -48.1424 -32.2603 -39.8814 -18.5296 -39.8814 -1.80949 GPRESSAVG: 4570200 16.5182 -48.4369 -18.2919 -49.1905 -32.7632 -38.4476 -17.825 -39.8352 -1.91522 TIMING: 4570200 CPU: 13570.4, 0.00295709/step Wall: 13570.4, 0.00295709/step, 0.353044 hours remaining, 209.011719 MB of memory in use. ENERGY: 4570200 706.5177 2057.0614 1960.6672 106.9523 -206518.4774 18008.8980 0.0000 0.0000 34381.9264 -149296.4544 300.2659 -183678.3808 -149197.2822 299.8264 54.5670 84.3130 558149.5892 -6.1896 -6.0534 PRESSURE: 4570400 -96.5063 -130.282 12.0643 -130.281 -185.876 35.2327 12.0636 35.2326 -196.913 GPRESSURE: 4570400 -45.8033 -211.104 76.1856 -111.713 -144.464 69.6678 106.577 58.8485 -180.709 PRESSAVG: 4570400 52.0586 50.633 -43.885 50.633 44.0497 -15.6173 -43.885 -15.6172 -69.4529 GPRESSAVG: 4570400 51.7705 51.5466 -43.2616 51.7965 44.6053 -14.263 -44.1721 -18.0186 -69.6985 TIMING: 4570400 CPU: 13571, 0.0029614/step Wall: 13571, 0.0029614/step, 0.353394 hours remaining, 209.011719 MB of memory in use. ENERGY: 4570400 767.4175 2106.2719 1910.7620 111.7615 -206451.5263 17812.9317 0.0000 0.0000 34441.5326 -149300.8491 300.7865 -183742.3817 -149208.4205 299.4045 -159.7650 -123.6590 558469.3129 8.8851 8.8924 PRESSURE: 4570600 -30.3815 60.7263 -32.1074 60.7265 -3.782 -22.264 -32.1079 -22.2648 42.8153 GPRESSURE: 4570600 -8.66832 -7.94204 -18.8383 76.0364 22.5372 -8.9016 -36.6465 -8.29998 92.0453 PRESSAVG: 4570600 46.1458 -0.0410089 4.44471 -0.0409732 -9.44591 36.2808 4.44465 36.2809 -87.5653 GPRESSAVG: 4570600 45.7757 -0.707599 2.23499 0.303947 -9.96123 36.1059 5.47646 37.8819 -86.5036 TIMING: 4570600 CPU: 13571.5, 0.00295796/step Wall: 13571.5, 0.00295796/step, 0.352819 hours remaining, 209.011719 MB of memory in use. ENERGY: 4570600 720.0886 2126.6347 1943.0648 99.8714 -206276.4608 17876.7377 0.0000 0.0000 34172.0768 -149337.9869 298.4332 -183510.0636 -149244.0872 298.7947 2.8839 35.3047 557099.1178 -16.9551 -16.8964 PRESSURE: 4570800 11.5951 9.18159 36.1413 9.18183 -148.914 -77.0094 36.1406 -77.0106 -344.557 GPRESSURE: 4570800 77.5008 17.4299 -25.5844 44.3179 -148.373 2.74477 170.361 -149.726 -310.427 PRESSAVG: 4570800 56.5323 21.377 19.7932 21.377 -2.40583 49.304 19.7932 49.3042 -62.5968 GPRESSAVG: 4570800 56.779 20.5535 19.8622 21.9992 -2.36891 47.1746 19.4145 50.5749 -62.6337 TIMING: 4570800 CPU: 13572.1, 0.00295797/step Wall: 13572.1, 0.00295797/step, 0.352655 hours remaining, 209.011719 MB of memory in use. ENERGY: 4570800 737.8968 2092.4426 1971.1572 97.9571 -206219.2758 17636.2800 0.0000 0.0000 34402.4230 -149281.1192 300.4449 -183683.5422 -149178.1493 299.0413 -160.6253 -127.0998 558055.2361 -2.8234 -2.7412 PRESSURE: 4571000 -70.5423 -100.104 -121.614 -100.105 -72.9914 -86.0781 -121.615 -86.0795 158.925 GPRESSURE: 4571000 -58.5276 -102.063 -37.8459 -77.3865 13.6606 13.4233 -116.933 -189.814 158.449 PRESSAVG: 4571000 -43.0074 43.5107 18.2289 43.5109 50.8277 21.7741 18.2289 21.7741 -21.9132 GPRESSAVG: 4571000 -43.1482 44.7875 19.3994 42.9766 50.2461 23.0698 18.1615 19.7288 -20.9782 TIMING: 4571000 CPU: 13572.7, 0.0029377/step Wall: 13572.7, 0.0029377/step, 0.350076 hours remaining, 209.011719 MB of memory in use. ENERGY: 4571000 731.4290 2100.4546 1929.2852 107.9941 -206119.4641 17900.8777 0.0000 0.0000 34327.5494 -149021.8742 299.7910 -183349.4235 -148927.0515 299.7759 5.1305 37.8607 559042.5206 -4.6976 -4.6268 PRESSURE: 4571200 139.068 48.1689 -103.253 48.1688 -151.602 248.396 -103.254 248.397 120.028 GPRESSURE: 4571200 131.424 71.7728 -173.913 42.9653 -108.408 236.83 -71.1299 235.943 176.965 PRESSAVG: 4571200 -44.586 -1.60428 14.6205 -1.60422 -15.8665 13.7121 14.6205 13.7122 12.4612 GPRESSAVG: 4571200 -44.6596 -2.06615 13.3183 -1.0376 -14.8574 15.1484 12.7942 14.1579 11.5382 TIMING: 4571200 CPU: 13573.3, 0.0029157/step Wall: 13573.3, 0.0029157/step, 0.347292 hours remaining, 209.011719 MB of memory in use. ENERGY: 4571200 728.8467 2066.3919 1929.3383 115.1157 -206338.4085 17895.3713 0.0000 0.0000 34608.4694 -148994.8753 302.2444 -183603.3447 -148899.3507 299.4060 35.8311 66.6605 558489.3615 -15.9971 -15.9929 PRESSURE: 4571400 -33.7649 104.909 62.9269 104.909 -88.9581 -54.007 62.9281 -54.0067 -290.851 GPRESSURE: 4571400 -20.8646 148.752 7.11062 84.6768 -9.16402 -83.67 45.4195 -34.1428 -288.56 PRESSAVG: 4571400 31.9178 19.7675 15.0451 19.7675 -21.5268 16.1683 15.0451 16.1683 19.5043 GPRESSAVG: 4571400 31.6178 21.2273 15.0771 17.5749 -21.6295 15.1959 18.1903 15.8059 19.989 TIMING: 4571400 CPU: 13573.9, 0.00295967/step Wall: 13573.9, 0.00295967/step, 0.352365 hours remaining, 209.011719 MB of memory in use. ENERGY: 4571400 737.7230 2030.2178 1937.5502 124.1843 -205919.8396 17623.6133 0.0000 0.0000 34368.0050 -149098.5460 300.1443 -183466.5510 -149000.6752 299.8330 -137.8581 -106.1962 558614.8225 9.9651 9.9925 PRESSURE: 4571600 19.2358 -22.0717 -104.64 -22.0709 -27.088 -3.41261 -104.64 -3.413 -66.8498 GPRESSURE: 4571600 71.2155 -73.6068 -19.6823 -41.8254 -9.96313 18.6918 -91.4077 8.63802 -49.5024 PRESSAVG: 4571600 -7.3653 -15.5566 3.45013 -15.5566 23.1449 -12.402 3.45013 -12.4019 -8.08331 GPRESSAVG: 4571600 -5.73442 -19.1659 2.7296 -13.3803 22.083 -13.9895 1.37804 -10.9487 -8.22118 TIMING: 4571600 CPU: 13574.5, 0.00293703/step Wall: 13574.5, 0.00293703/step, 0.349507 hours remaining, 209.011719 MB of memory in use. ENERGY: 4571600 734.2444 2078.4157 1950.4884 124.2465 -206139.6827 17898.3808 0.0000 0.0000 34262.5513 -149091.3556 299.2234 -183353.9069 -148995.5735 299.3597 -24.9006 3.9167 558821.1128 2.5654 2.7091 PRESSURE: 4571800 91.333 -73.5744 40.3081 -73.5762 190.751 100.567 40.3071 100.568 64.4225 GPRESSURE: 4571800 104.172 -13.7252 87.6362 -102.895 255.097 55.0924 79.0093 89.8008 91.6771 PRESSAVG: 4571800 14.5986 17.9029 16.6021 17.9027 -1.62225 -27.756 16.6021 -27.7559 -43.784 GPRESSAVG: 4571800 12.8456 19.7041 17.311 16.2209 -0.53167 -26.634 17.51 -28.8468 -43.4 TIMING: 4571800 CPU: 13575.1, 0.00295793/step Wall: 13575.1, 0.00295793/step, 0.351829 hours remaining, 209.011719 MB of memory in use. ENERGY: 4571800 713.0628 2051.3499 1937.0161 106.0014 -206214.4263 17934.8198 0.0000 0.0000 34219.4012 -149252.7750 298.8465 -183472.1762 -149158.0576 299.3842 115.5020 150.3155 557648.4668 -10.2692 -10.3621 PRESSURE: 4572000 239.039 58.5201 42.5281 58.5204 95.1298 -46.0685 42.5272 -46.0675 241.542 GPRESSURE: 4572000 197.366 -45.1698 38.8193 76.142 146.99 -78.0359 6.61601 -69.4025 330.828 PRESSAVG: 4572000 29.2514 23.0929 -1.48343 23.0929 3.2186 -30.3441 -1.48342 -30.3441 3.75167 GPRESSAVG: 4572000 30.7413 24.9579 -2.67845 23.4892 3.29865 -29.628 -2.14884 -30.2301 2.68979 TIMING: 4572000 CPU: 13575.7, 0.00295291/step Wall: 13575.7, 0.00295291/step, 0.351068 hours remaining, 209.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4572000 712.1945 2015.8466 1915.5048 103.2728 -206622.6200 18312.2530 0.0000 0.0000 34235.8204 -149327.7279 298.9899 -183563.5483 -149231.1066 298.9770 191.9036 225.0611 556529.0428 12.0739 12.2433 PRESSURE: 4572200 -113.813 -82.4575 -60.0749 -82.4581 42.0639 -8.19148 -60.0753 -8.19105 -101.482 GPRESSURE: 4572200 -64.3255 -173.494 -23.4954 19.5771 43.8732 -95.4965 -59.2482 57.7361 -69.8266 PRESSAVG: 4572200 11.5648 14.2645 -32.3894 14.2645 22.4548 -87.4063 -32.3894 -87.4062 -23.1056 GPRESSAVG: 4572200 10.9676 13.4872 -30.6118 12.0512 22.4047 -90.3577 -32.3595 -86.8609 -22.4031 TIMING: 4572200 CPU: 13576.3, 0.00297702/step Wall: 13576.3, 0.00297702/step, 0.353769 hours remaining, 209.011719 MB of memory in use. ENERGY: 4572200 733.0522 2038.9719 1942.2410 118.6325 -205827.8617 17657.0624 0.0000 0.0000 34172.9091 -149164.9926 298.4405 -183337.9017 -149064.4956 298.6152 -57.7438 -30.0930 557768.7854 3.6380 3.6564 LDB: ============= START OF LOAD BALANCING ============== 13579.8 LDB: ============== END OF LOAD BALANCING =============== 13579.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13579.8 LDB: ============= START OF LOAD BALANCING ============== 13580.1 LDB: Largest compute 4772 load 0.020846 is 17.6% of average load 0.118239 LDB: Average compute 0.001741 is 1.5% of average load 0.118239 LDB: TIME 13580.1 LOAD: AVG 0.118239 MAX 0.200178 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.672 MB LDB: TIME 13580.1 LOAD: AVG 0.118239 MAX 0.200178 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.734 MB LDB: TIME 13580.1 LOAD: AVG 0.118239 MAX 0.200178 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13580.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13580.1 PRESSURE: 4572400 25.7324 63.0178 -115.347 63.0165 -149.689 28.6834 -115.347 28.6831 -57.0379 GPRESSURE: 4572400 83.1761 126.097 -15.5623 62.7683 -149.219 80.1787 -85.2818 -55.0375 -19.4356 PRESSAVG: 4572400 39.379 33.0044 24.3445 33.0044 -96.8861 6.66868 24.3445 6.66867 24.1799 GPRESSAVG: 4572400 38.5731 33.3871 24.2577 34.2124 -96.2784 8.24151 26.4405 5.01193 24.7355 TIMING: 4572400 CPU: 13576.9, 0.00304703/step Wall: 13576.9, 0.00304703/step, 0.361919 hours remaining, 208.351562 MB of memory in use. ENERGY: 4572400 730.0960 2096.8391 1926.1421 107.9365 -205963.7234 17604.6805 0.0000 0.0000 34219.5094 -149278.5199 298.8475 -183498.0293 -149181.5754 298.5685 -60.3313 -28.4928 556779.8322 -11.1091 -10.9899 PRESSURE: 4572600 -61.7153 -186.949 114.069 -186.948 -95.7536 85.158 114.069 85.1588 -309.947 GPRESSURE: 4572600 -93.1604 -187.46 90.6902 -212.196 -75.9976 120.243 145.468 34.3058 -189.648 PRESSAVG: 4572600 29.4544 2.32045 -32.4091 2.3204 -72.5872 -36.481 -32.4092 -36.4808 7.06957 GPRESSAVG: 4572600 29.7305 1.06977 -32.3782 3.10993 -72.9835 -36.7469 -33.4776 -35.0322 7.50189 TIMING: 4572600 CPU: 13577.5, 0.00294343/step Wall: 13577.5, 0.00294343/step, 0.349451 hours remaining, 208.351562 MB of memory in use. ENERGY: 4572600 727.7041 2034.5346 1935.8930 119.8512 -205859.1582 17502.2220 0.0000 0.0000 34181.6979 -149357.2555 298.5173 -183538.9534 -149255.3503 299.3323 -155.8052 -119.6021 557731.1114 -12.0211 -11.9170 PRESSURE: 4572800 -57.9433 62.8475 -87.035 62.8474 -215.604 -193.36 -87.0353 -193.361 -267.737 GPRESSURE: 4572800 -30.84 39.7783 29.8664 60.0585 -204.532 -160.285 -150.132 -165.174 -207.094 PRESSAVG: 4572800 28.288 -33.7126 -47.0967 -33.7128 35.7084 -44.2629 -47.0967 -44.2627 -29.6012 GPRESSAVG: 4572800 29.3558 -32.4641 -46.9945 -34.283 36.0659 -44.8257 -48.6722 -44.5528 -30.4413 TIMING: 4572800 CPU: 13578.1, 0.00294287/step Wall: 13578.1, 0.00294287/step, 0.349221 hours remaining, 208.351562 MB of memory in use. ENERGY: 4572800 688.6525 2083.5236 1918.1261 114.3876 -206004.2754 17648.1742 0.0000 0.0000 34358.7693 -149192.6421 300.0637 -183551.4114 -149094.0713 299.0869 -180.4279 -147.4889 558420.7424 11.4651 11.6602 PRESSURE: 4573000 -245.311 -112.935 -63.103 -112.935 -28.3772 -45.9772 -63.1021 -45.9776 -60.7893 GPRESSURE: 4573000 -209.477 -125.543 -1.65506 -115.445 7.12922 60.7574 -132.533 -67.109 -44.0281 PRESSAVG: 4573000 -13.0244 8.03368 7.80927 8.03367 6.80474 30.4449 7.80934 30.4448 30.49 GPRESSAVG: 4573000 -13.9374 8.39221 5.92173 6.77963 6.75096 31.0497 9.83243 31.4235 31.4479 TIMING: 4573000 CPU: 13578.6, 0.00293298/step Wall: 13578.6, 0.00293298/step, 0.347884 hours remaining, 208.351562 MB of memory in use. ENERGY: 4573000 687.1549 2069.4822 1908.8545 109.9227 -206081.9514 17648.3057 0.0000 0.0000 34466.9356 -149191.2959 301.0083 -183658.2314 -149096.3192 299.3889 -111.4925 -82.1253 559755.6961 8.0901 8.0871 PRESSURE: 4573200 69.6744 98.7493 -150.324 98.7497 147.183 15.2366 -150.324 15.2354 -185.167 GPRESSURE: 4573200 103.17 7.24206 -84.5391 133.346 179.846 -82.8558 -171.588 41.1825 -153.167 PRESSAVG: 4573200 -10.0355 -50.0711 15.3156 -50.0711 31.8143 22.0021 15.3156 22.0021 -36.9365 GPRESSAVG: 4573200 -9.91326 -51.6758 18.2797 -49.935 31.8205 21.3571 12.131 22.7505 -37.7473 TIMING: 4573200 CPU: 13579.2, 0.00293509/step Wall: 13579.2, 0.00293509/step, 0.347971 hours remaining, 208.351562 MB of memory in use. ENERGY: 4573200 700.5117 2086.4109 1909.9793 116.8742 -205743.5900 17604.0670 0.0000 0.0000 34197.4333 -149128.3137 298.6547 -183325.7470 -149032.1132 299.1762 10.5634 43.2832 558273.0533 -5.0526 -5.2800 PRESSURE: 4573400 48.9213 1.82935 140.492 1.82895 -114.201 -181.566 140.493 -181.565 240.24 GPRESSURE: 4573400 88.6455 86.228 93.3956 -57.8761 -61.7923 -241.708 205.757 -92.1067 242.33 PRESSAVG: 4573400 5.12342 23.6221 5.98397 23.622 55.088 15.695 5.98393 15.6949 -55.8376 GPRESSAVG: 4573400 4.94068 25.1103 5.62058 24.0747 54.8358 17.9444 6.23652 12.585 -55.3124 TIMING: 4573400 CPU: 13579.8, 0.00291819/step Wall: 13579.8, 0.00291819/step, 0.345806 hours remaining, 208.609375 MB of memory in use. ENERGY: 4573400 697.6119 2052.9303 1887.8725 122.7693 -206250.4390 17749.7215 0.0000 0.0000 34504.5195 -149235.0141 301.3366 -183739.5336 -149140.1420 299.1777 58.3201 89.7277 555276.9907 1.4580 1.4880 PRESSURE: 4573600 -142.931 32.9178 241.606 32.9187 -87.4148 -61.6778 241.607 -61.6782 -219.224 GPRESSURE: 4573600 -80.3667 -7.62031 338.434 13.0976 -49.9451 -42.032 121.29 -85.1962 -225.088 PRESSAVG: 4573600 -17.819 5.55882 6.84304 5.55875 50.544 -23.3412 6.84301 -23.3411 30.0613 GPRESSAVG: 4573600 -16.5229 5.43032 4.82967 5.3916 49.489 -24.4711 7.58672 -22.2163 29.0529 TIMING: 4573600 CPU: 13580.4, 0.00293746/step Wall: 13580.4, 0.00293746/step, 0.347926 hours remaining, 208.609375 MB of memory in use. ENERGY: 4573600 747.0176 2129.0988 1893.0629 106.6160 -205748.0295 17493.9991 0.0000 0.0000 34221.5424 -149156.6927 298.8652 -183378.2351 -149061.9521 299.2856 -149.8567 -118.4665 557819.8812 20.9288 20.6730 PRESSURE: 4573800 -129.629 42.7117 -54.5824 42.711 -208.712 -156.149 -54.5828 -156.15 -192.415 GPRESSURE: 4573800 -101.788 12.2935 -72.7725 91.4451 -134.767 -134.951 -151.965 -72.0688 -192.51 PRESSAVG: 4573800 19.7922 -33.3759 -8.29244 -33.3758 10.8329 4.3691 -8.29232 4.36911 -12.9368 GPRESSAVG: 4573800 18.5355 -34.0938 -8.06229 -30.6263 11.659 5.79629 -7.4714 5.91697 -12.413 TIMING: 4573800 CPU: 13581, 0.00295044/step Wall: 13581, 0.00295044/step, 0.349299 hours remaining, 208.609375 MB of memory in use. ENERGY: 4573800 771.6917 2140.2347 1914.0996 115.6136 -205897.0423 17629.5514 0.0000 0.0000 34345.5280 -148980.3233 299.9480 -183325.8513 -148888.3607 299.5877 -176.9186 -143.0216 557682.7322 5.8961 5.9272 PRESSURE: 4574000 -53.3575 -140.6 -34.4068 -140.6 -141.519 33.5457 -34.407 33.5461 44.1894 GPRESSURE: 4574000 28.7985 -125.864 -76.9856 -109.443 -153.208 60.724 75.4234 -6.51282 60.0783 PRESSAVG: 4574000 16.2382 -18.8233 9.15005 -18.8233 -13.6772 -50.7747 9.14997 -50.7746 -6.35397 GPRESSAVG: 4574000 15.6514 -19.5288 9.48806 -19.1247 -12.8344 -49.9014 9.56195 -53.4282 -6.39819 TIMING: 4574000 CPU: 13581.6, 0.00293209/step Wall: 13581.6, 0.00293209/step, 0.346964 hours remaining, 208.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4574000 770.6574 2140.3412 1926.6077 116.6314 -206156.7715 17866.4185 0.0000 0.0000 34347.6807 -148988.4346 299.9668 -183336.1153 -148890.4017 300.1447 -50.2289 -21.4438 557076.9908 -1.2643 -1.1938 PRESSURE: 4574200 -67.678 -150.529 -105.901 -150.529 -1.52062 25.1253 -105.901 25.1271 -95.1779 GPRESSURE: 4574200 -74.7569 -49.8182 -68.9992 -227.296 25.2556 131.307 -32.8861 -23.825 -17.8814 PRESSAVG: 4574200 19.8629 20.5918 20.4661 20.5918 43.5525 34.5445 20.4661 34.5446 -92.915 GPRESSAVG: 4574200 19.6611 22.3298 22.0689 19.2877 43.1335 31.3794 18.9541 37.4647 -91.8359 TIMING: 4574200 CPU: 13582.2, 0.0029426/step Wall: 13582.2, 0.0029426/step, 0.348044 hours remaining, 208.609375 MB of memory in use. ENERGY: 4574200 756.5111 2078.2191 1940.8083 124.8357 -206065.0953 17847.6100 0.0000 0.0000 34210.6513 -149106.4599 298.7701 -183317.1112 -149014.0540 300.0397 -54.7922 -22.4609 555529.0612 -9.8332 -9.6804 PRESSURE: 4574400 217.96 88.7829 123.502 88.7822 -56.7597 120.206 123.502 120.205 -119.926 GPRESSURE: 4574400 232.592 41.3487 31.3911 177.92 66.4187 129.138 122.278 148.905 -170.292 PRESSAVG: 4574400 83.2208 36.2939 -21.1638 36.2939 -36.776 17.7247 -21.1637 17.7249 -29.8812 GPRESSAVG: 4574400 83.9864 36.4577 -24.0787 36.3371 -35.4994 19.6163 -20.4086 16.2007 -31.9143 TIMING: 4574400 CPU: 13582.8, 0.00295307/step Wall: 13582.8, 0.00295307/step, 0.349118 hours remaining, 208.609375 MB of memory in use. ENERGY: 4574400 728.6276 2107.0399 1919.7551 113.3753 -206073.6336 17743.4458 0.0000 0.0000 34349.2873 -149112.1026 299.9809 -183461.3899 -149012.8063 300.1536 13.7582 42.9061 556605.1461 5.5212 5.5242 PRESSURE: 4574600 -308.848 198.913 -2.38198 198.914 -406.724 -11.7186 -2.38206 -11.7183 -607.03 GPRESSURE: 4574600 -254.774 237.448 -100.713 200.783 -366.201 -9.74167 57.4197 -0.117194 -602.447 PRESSAVG: 4574600 46.0105 27.0039 19.2512 27.0038 22.9008 31.8435 19.2512 31.8435 -66.4074 GPRESSAVG: 4574600 45.8041 26.3584 21.179 26.897 22.1816 31.3318 17.425 32.7139 -65.4283 TIMING: 4574600 CPU: 13583.3, 0.00294418/step Wall: 13583.3, 0.00294418/step, 0.347904 hours remaining, 208.609375 MB of memory in use. ENERGY: 4574600 779.1403 2052.9063 1921.4564 106.8764 -205402.0584 17095.8481 0.0000 0.0000 34330.1496 -149115.6813 299.8137 -183445.8310 -149021.3156 299.8836 -440.8673 -407.8075 557461.0986 0.8346 0.8525 PRESSURE: 4574800 63.0422 -58.6751 -16.3364 -58.6741 -177.84 73.2059 -16.3366 73.2054 190.35 GPRESSURE: 4574800 120.92 -53.591 94.784 -136.439 -131.558 84.9944 -33.3157 48.772 196.103 PRESSAVG: 4574800 7.63433 -51.074 10.5297 -51.0739 45.0249 -31.7156 10.5298 -31.7155 -39.1835 GPRESSAVG: 4574800 8.16487 -51.2033 9.62533 -50.3071 43.777 -30.3132 11.5997 -33.6255 -38.4966 TIMING: 4574800 CPU: 13583.9, 0.00292184/step Wall: 13583.9, 0.00292184/step, 0.345102 hours remaining, 208.609375 MB of memory in use. ENERGY: 4574800 746.6417 2157.7958 1889.6633 113.1244 -206101.6261 17787.9891 0.0000 0.0000 34133.7188 -149272.6929 298.0983 -183406.4117 -149180.0495 299.7817 25.1842 61.8218 556656.2590 4.4919 4.4818 PRESSURE: 4575000 -98.1023 34.4009 -85.2525 34.4 -304.765 -49.5123 -85.252 -49.5125 30.6719 GPRESSURE: 4575000 -55.8327 95.6102 -159.939 33.5841 -273.572 -23.6924 -83.7163 -98.1767 59.9327 PRESSAVG: 4575000 11.0058 -24.4241 16.7683 -24.4241 -9.7649 -26.4341 16.7682 -26.4341 -7.75498 GPRESSAVG: 4575000 9.81953 -23.3337 17.3911 -25.4499 -9.1054 -26.0085 17.6088 -27.7708 -7.65835 TIMING: 4575000 CPU: 13584.5, 0.00292486/step Wall: 13584.5, 0.00292486/step, 0.345296 hours remaining, 208.609375 MB of memory in use. ENERGY: 4575000 722.2001 2090.7282 1939.0815 120.7258 -205692.0908 17507.9841 0.0000 0.0000 34256.7039 -149054.6670 299.1723 -183311.3710 -148960.3998 300.1396 -124.0653 -89.8239 556500.4497 -2.1714 -2.3147 PRESSURE: 4575200 138.591 -8.79568 -33.7393 -8.79584 138.584 93.6918 -33.7388 93.692 139.485 GPRESSURE: 4575200 100.357 28.8014 47.575 -66.7394 223.979 112.032 -93.448 130.828 179.644 PRESSAVG: 4575200 -0.941143 26.7793 -4.76839 26.7793 -16.814 -4.25973 -4.76835 -4.25981 46.9043 GPRESSAVG: 4575200 -1.00633 27.7988 -3.75864 24.8779 -16.5137 -5.57391 -3.80893 -2.20213 46.5262 TIMING: 4575200 CPU: 13585.1, 0.00294205/step Wall: 13585.1, 0.00294205/step, 0.347162 hours remaining, 208.609375 MB of memory in use. ENERGY: 4575200 748.2966 2131.3360 1908.3215 106.6191 -206357.8254 17957.6693 0.0000 0.0000 34478.9642 -149026.6187 301.1134 -183505.5830 -148936.9481 299.9316 138.8869 167.9935 555912.1841 9.7164 9.6687 PRESSURE: 4575400 146.256 -170.662 115.79 -170.663 -84.9853 92.9787 115.79 92.9811 -302.759 GPRESSURE: 4575400 184.892 -134.73 160.799 -170.284 -58.0233 166.54 82.8376 44.8005 -278.967 PRESSAVG: 4575400 -4.96964 -68.3398 17.0753 -68.3398 15.9007 0.768362 17.0753 0.768381 -30.7338 GPRESSAVG: 4575400 -3.8062 -69.9561 16.9016 -67.4101 14.9195 -1.11307 16.9982 2.08113 -30.6816 TIMING: 4575400 CPU: 13585.7, 0.00294404/step Wall: 13585.7, 0.00294404/step, 0.347233 hours remaining, 208.609375 MB of memory in use. ENERGY: 4575400 745.8261 2109.3358 1898.9828 107.3993 -206080.6311 17751.0450 0.0000 0.0000 34465.2383 -149002.8038 300.9935 -183468.0421 -148909.1254 300.4546 -80.4962 -50.6994 559051.4873 -6.6009 -6.5228 PRESSURE: 4575600 168.667 21.1137 16.7389 21.1135 211.224 210.436 16.7383 210.434 151.489 GPRESSURE: 4575600 216.231 -5.97855 -25.7637 -35.2175 195.093 150.161 14.5051 167.258 220.022 PRESSAVG: 4575600 62.2874 -29.2767 15.4749 -29.2767 -11.4742 24.4828 15.4748 24.4828 -49.5984 GPRESSAVG: 4575600 62.3975 -29.0872 12.4529 -29.1142 -11.1997 25.011 14.3015 23.5902 -49.8803 TIMING: 4575600 CPU: 13586.3, 0.00293044/step Wall: 13586.3, 0.00293044/step, 0.345466 hours remaining, 208.648438 MB of memory in use. ENERGY: 4575600 710.3274 2068.3616 1941.1347 109.6317 -206264.1865 18060.5596 0.0000 0.0000 34339.5381 -149034.6334 299.8957 -183374.1715 -148934.6245 299.5039 177.1266 210.4489 556919.2741 0.4049 0.4392 PRESSURE: 4575800 124.424 39.8948 26.3433 39.8958 -136.564 -107.2 26.3447 -107.198 0.658986 GPRESSURE: 4575800 175.19 43.4328 57.2601 24.1064 -113.902 -8.24518 -0.145913 -195.882 47.268 PRESSAVG: 4575800 59.1483 19.1827 41.0741 19.1827 -12.7051 56.7276 41.0742 56.7277 -22.1001 GPRESSAVG: 4575800 58.4836 19.8733 43.2177 19.7877 -11.9866 59.943 40.8255 55.7961 -22.536 TIMING: 4575800 CPU: 13586.9, 0.00294288/step Wall: 13586.9, 0.00294288/step, 0.346769 hours remaining, 208.648438 MB of memory in use. ENERGY: 4575800 728.5591 2136.6772 1910.3375 111.3865 -205883.9380 17719.7804 0.0000 0.0000 34423.6416 -148853.5558 300.6302 -183277.1974 -148758.1821 299.4383 -3.8272 36.1852 558985.8166 8.1144 7.9870 PRESSURE: 4576000 -26.5074 89.3771 -23.7959 89.3776 87.2003 60.1857 -23.7958 60.1865 93.3214 GPRESSURE: 4576000 28.1722 181.916 -45.9851 77.1662 133.061 25.9996 -41.9389 90.8929 93.5998 PRESSAVG: 4576000 32.439 12.3775 -2.23405 12.3776 -17.2859 -1.95741 -2.23392 -1.95745 6.24157 GPRESSAVG: 4576000 31.7119 12.1832 -2.25367 10.9352 -18.1474 -3.04685 -1.33894 -1.93131 7.26628 TIMING: 4576000 CPU: 13587.5, 0.00291978/step Wall: 13587.5, 0.00291978/step, 0.343886 hours remaining, 208.648438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4576000 785.5259 2128.6550 1925.4378 105.7970 -206448.7191 18048.5439 0.0000 0.0000 34478.9101 -148975.8494 301.1129 -183454.7595 -148874.8269 299.8745 51.3381 84.9443 559237.7967 7.1316 6.9436 PRESSURE: 4576200 -75.8528 -84.5331 -119.384 -84.5336 -260.783 -167.852 -119.385 -167.853 -176.546 GPRESSURE: 4576200 -65.0285 -85.6965 -82.9814 -121.278 -209.686 -150.538 -119.953 -161.436 -134.095 PRESSAVG: 4576200 74.9129 -10.9128 23.0235 -10.9127 -14.1638 14.6487 23.0235 14.6488 -65.8886 GPRESSAVG: 4576200 75.5573 -14.5248 23.6266 -9.61397 -13.3628 16.021 20.0686 14.7091 -67.2001 TIMING: 4576200 CPU: 13588, 0.00293407/step Wall: 13588, 0.00293407/step, 0.345406 hours remaining, 208.648438 MB of memory in use. ENERGY: 4576200 770.5741 2069.3533 1972.6723 121.7222 -206019.8199 17510.1548 0.0000 0.0000 34428.8097 -149146.5335 300.6754 -183575.3432 -149050.9460 300.0558 -171.0605 -136.2696 556203.7401 -1.7131 -1.6685 LDB: ============= START OF LOAD BALANCING ============== 13591.6 LDB: ============== END OF LOAD BALANCING =============== 13591.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13591.6 LDB: ============= START OF LOAD BALANCING ============== 13591.9 LDB: Largest compute 4802 load 0.022370 is 18.9% of average load 0.118252 LDB: Average compute 0.001745 is 1.5% of average load 0.118252 LDB: TIME 13591.9 LOAD: AVG 0.118252 MAX 0.200114 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.391 MB LDB: TIME 13591.9 LOAD: AVG 0.118252 MAX 0.200114 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.594 MB LDB: TIME 13591.9 LOAD: AVG 0.118252 MAX 0.200114 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.594 MB LDB: ============== END OF LOAD BALANCING =============== 13591.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13591.9 PRESSURE: 4576400 239.31 167.909 -60.3023 167.91 152.361 122.57 -60.3019 122.569 -111.043 GPRESSURE: 4576400 246.676 207.18 -50.3987 123.29 176.358 131.364 -8.42005 146.723 -44.5449 PRESSAVG: 4576400 -18.8529 8.93015 36.598 8.93015 22.6675 -29.3639 36.598 -29.364 1.44403 GPRESSAVG: 4576400 -19.4928 11.3036 35.8228 8.37329 22.7774 -33.8646 39.8925 -26.511 2.18522 TIMING: 4576400 CPU: 13588.6, 0.00302879/step Wall: 13588.6, 0.00302879/step, 0.356388 hours remaining, 208.613281 MB of memory in use. ENERGY: 4576400 749.1265 2068.6475 1914.7246 109.7212 -205886.5523 17734.7421 0.0000 0.0000 34195.9027 -149113.6877 298.6413 -183309.5904 -149014.1953 298.7258 93.5423 126.1629 555772.1432 1.7529 1.8233 PRESSURE: 4576600 -366.645 13.7607 -27.2344 13.7615 -159.131 -22.0929 -27.2345 -22.0924 -73.8193 GPRESSURE: 4576600 -330.237 30.7107 -61.7973 27.099 -146.915 -17.1555 59.6528 -15.9828 -31.6227 PRESSAVG: 4576600 -13.9632 29.372 16.5025 29.372 73.0637 -7.97131 16.5026 -7.97121 -70.0688 GPRESSAVG: 4576600 -13.3941 26.9282 17.4387 30.2457 71.2742 -7.35355 16.1796 -9.55588 -69.4153 TIMING: 4576600 CPU: 13589.2, 0.00293939/step Wall: 13589.2, 0.00293939/step, 0.345705 hours remaining, 208.613281 MB of memory in use. ENERGY: 4576600 741.0342 2116.7451 1943.0292 111.1461 -205769.9894 17441.5702 0.0000 0.0000 34405.0048 -149011.4599 300.4675 -183416.4646 -148915.7861 299.8352 -199.8650 -169.5916 558510.8438 -3.6561 -3.8450 PRESSURE: 4576800 3.26963 -93.8237 -18.5395 -93.823 -157.952 38.1674 -18.5396 38.1685 91.2573 GPRESSURE: 4576800 98.6441 -83.1192 -24.6317 -44.2603 -167.347 -4.67873 -34.1477 -33.9023 108.451 PRESSAVG: 4576800 -78.8936 -66.8088 -25.9403 -66.8088 19.684 -45.3607 -25.9403 -45.3609 52.7848 GPRESSAVG: 4576800 -78.0683 -65.0506 -26.4494 -65.2659 20.474 -43.2349 -26.5174 -45.5148 52.1282 TIMING: 4576800 CPU: 13589.8, 0.00293233/step Wall: 13589.8, 0.00293233/step, 0.344712 hours remaining, 208.613281 MB of memory in use. ENERGY: 4576800 795.0689 2129.9096 1903.6270 118.1932 -206371.0353 18057.3053 0.0000 0.0000 34325.8067 -149041.1246 299.7758 -183366.9313 -148939.7317 300.2369 -21.1417 13.2494 558433.2460 -2.1416 -1.8220 PRESSURE: 4577000 -436.582 36.8321 -24.2301 36.8326 -350.76 -96.6651 -24.2297 -96.6648 -56.775 GPRESSURE: 4577000 -433.224 132.156 -42.1851 -14.0526 -279.763 -130.533 -40.1409 -140.52 -35.0602 PRESSAVG: 4577000 37.6803 20.4993 -0.755835 20.4993 -19.7778 -28.205 -0.755802 -28.2051 -41.7228 GPRESSAVG: 4577000 37.8123 20.7976 1.23192 18.8782 -20.2352 -28.4119 -1.01843 -28.6121 -41.2298 TIMING: 4577000 CPU: 13590.4, 0.00294173/step Wall: 13590.4, 0.00294173/step, 0.345653 hours remaining, 208.613281 MB of memory in use. ENERGY: 4577000 758.4081 2097.1631 1919.5911 128.3579 -205617.8703 17300.4786 0.0000 0.0000 34300.1775 -149113.6939 299.5520 -183413.8714 -149013.9193 299.7855 -281.3720 -249.3491 556909.2104 -7.9401 -7.8843 PRESSURE: 4577200 104.053 -26.0147 -49.63 -26.0144 61.8565 34.4491 -49.6289 34.4489 76.5881 GPRESSURE: 4577200 168.922 -54.2854 -70.5353 -8.36812 102.86 83.0908 -13.8436 -4.64764 77.8171 PRESSAVG: 4577200 -1.93657 -28.8883 -29.8976 -28.8883 -6.15069 -37.827 -29.8977 -37.827 -29.9556 GPRESSAVG: 4577200 -2.86962 -28.4989 -32.2567 -28.9979 -5.10837 -40.697 -30.4474 -37.6436 -29.5516 TIMING: 4577200 CPU: 13591, 0.002921/step Wall: 13591, 0.002921/step, 0.343055 hours remaining, 208.613281 MB of memory in use. ENERGY: 4577200 773.7132 2065.3515 1928.3557 123.2449 -206189.8394 17906.3947 0.0000 0.0000 34219.9705 -149172.8090 298.8515 -183392.7795 -149078.2199 299.3609 80.8324 116.5329 555699.1299 -12.6809 -12.5098 PRESSURE: 4577400 5.46243 90.647 6.14335 90.6468 -169.068 29.7537 6.14378 29.7529 95.7488 GPRESSURE: 4577400 20.7369 96.9831 5.66156 147.906 -110.597 57.9705 -5.75007 28.352 118.565 PRESSAVG: 4577400 22.5779 36.153 14.7141 36.1529 -12.9692 -6.30575 14.714 -6.30572 26.2228 GPRESSAVG: 4577400 23.5989 35.3377 15.2292 35.6616 -13.5483 -4.37709 14.4276 -7.1254 25.7122 TIMING: 4577400 CPU: 13591.6, 0.00293444/step Wall: 13591.6, 0.00293444/step, 0.344471 hours remaining, 208.613281 MB of memory in use. ENERGY: 4577400 742.1534 2139.3209 1929.0627 117.0701 -206001.4421 17769.1403 0.0000 0.0000 34136.4063 -149168.2885 298.1217 -183304.6948 -149064.6442 298.8432 -22.6188 9.5683 557373.3961 11.9438 11.9209 PRESSURE: 4577600 -196.557 -13.5561 3.15238 -13.5573 -214.697 78.997 3.1523 78.9989 -319.46 GPRESSURE: 4577600 -182.548 50.6166 28.6769 -44.865 -155.186 63.176 -26.1434 94.6147 -292.925 PRESSAVG: 4577600 -10.3503 59.6064 -21.5727 59.6065 -55.8656 -12.5817 -21.5727 -12.5816 20.623 GPRESSAVG: 4577600 -11.3074 59.6706 -20.9996 61.3212 -54.9397 -9.84533 -22.0058 -11.8517 20.8805 TIMING: 4577600 CPU: 13592.2, 0.00293317/step Wall: 13592.2, 0.00293317/step, 0.344159 hours remaining, 208.613281 MB of memory in use. ENERGY: 4577600 780.8141 2122.4975 1925.1074 110.1498 -205586.8717 17451.4947 0.0000 0.0000 34323.4155 -148873.3927 299.7549 -183196.8082 -148770.6889 299.8498 -243.5712 -210.2195 558180.3395 -15.1976 -15.1222 PRESSURE: 4577800 -245.73 -254.806 -151.024 -254.806 -142.873 82.0134 -151.026 82.0108 -258.703 GPRESSURE: 4577800 -224.02 -324.109 -126.979 -260.506 -132.679 41.8896 -150.203 58.1471 -184.094 PRESSAVG: 4577800 43.2778 17.8983 -5.18097 17.8982 -49.555 2.25802 -5.181 2.2579 -16.4632 GPRESSAVG: 4577800 43.8008 18.1183 -5.36387 15.417 -50.4944 -1.0728 -3.81456 2.7671 -16.2619 TIMING: 4577800 CPU: 13592.7, 0.00293151/step Wall: 13592.7, 0.00293151/step, 0.343801 hours remaining, 208.613281 MB of memory in use. ENERGY: 4577800 773.8075 2089.4381 1943.2245 110.0093 -205681.8928 17543.5306 0.0000 0.0000 34383.7089 -148838.1739 300.2815 -183221.8828 -148732.6474 300.8803 -215.7689 -180.2642 559077.4742 -7.5801 -7.6519 PRESSURE: 4578000 121.188 114.465 -82.4525 114.464 98.0722 -158.294 -82.4524 -158.293 -27.6328 GPRESSURE: 4578000 140.505 78.269 -49.9645 98.2912 124.122 -178.924 -109.764 -192.931 25.9203 PRESSAVG: 4578000 32.5762 6.18976 -21.906 6.18971 -10.9589 -18.5505 -21.9062 -18.5504 -9.30522 GPRESSAVG: 4578000 32.7504 4.79465 -21.4884 8.0119 -11.1102 -18.9415 -22.1914 -18.9955 -9.42544 TIMING: 4578000 CPU: 13593.3, 0.00293105/step Wall: 13593.3, 0.00293105/step, 0.343584 hours remaining, 208.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4578000 738.5569 2107.2795 1932.1669 112.5482 -206465.9169 18048.0587 0.0000 0.0000 34569.1329 -148958.1737 301.9008 -183527.3066 -148862.8460 300.1053 63.8758 96.8491 558335.2382 4.1040 4.0716 PRESSURE: 4578200 -104.434 168.298 -160.199 168.298 140.273 32.0011 -160.199 32.0022 206.735 GPRESSURE: 4578200 -54.3544 106.141 -164.506 132.325 156.597 46.3993 -129.391 -60.7172 220.533 PRESSAVG: 4578200 2.7822 14.6607 -10.3169 14.6607 28.1847 27.1975 -10.3169 27.1975 -19.0349 GPRESSAVG: 4578200 2.57015 14.9543 -11.5659 14.2631 29.5112 29.0171 -7.71883 26.6339 -20.0679 TIMING: 4578200 CPU: 13593.9, 0.00293021/step Wall: 13593.9, 0.00293021/step, 0.343323 hours remaining, 208.613281 MB of memory in use. ENERGY: 4578200 766.5879 2119.7568 1924.2005 113.2411 -206239.0088 17994.5813 0.0000 0.0000 34432.4331 -148888.2081 300.7070 -183320.6412 -148792.1424 299.7145 80.8581 107.5918 557710.9477 3.9774 4.0045 PRESSURE: 4578400 -140.888 -8.86841 30.2248 -8.86806 -286.103 -293.663 30.2247 -293.661 -79.6866 GPRESSURE: 4578400 -100.351 3.54528 24.5277 11.296 -265.992 -247.025 -13.8424 -317.3 -45.1487 PRESSAVG: 4578400 7.17847 22.3835 5.12369 22.3836 -13.2389 40.8199 5.12371 40.8198 -9.28018 GPRESSAVG: 4578400 8.6173 22.0197 6.24855 22.0757 -15.2023 42.6474 3.31836 40.7155 -8.94083 TIMING: 4578400 CPU: 13594.5, 0.00293175/step Wall: 13594.5, 0.00293175/step, 0.34334 hours remaining, 208.613281 MB of memory in use. ENERGY: 4578400 766.5987 2093.3594 1909.3108 111.7615 -205774.9866 17623.9471 0.0000 0.0000 34319.5860 -148950.4231 299.7215 -183270.0091 -148854.6721 300.3953 -168.8925 -137.1638 558494.4452 -5.1135 -5.1753 PRESSURE: 4578600 202.186 24.0495 38.1608 24.0491 -26.54 -66.3192 38.1618 -66.3202 -48.0052 GPRESSURE: 4578600 208.021 3.15617 -45.7302 -17.5825 -28.2107 -38.6769 93.5983 -99.0014 31.7852 PRESSAVG: 4578600 57.6999 4.72442 -17.1047 4.72431 -52.0413 20.3601 -17.1048 20.3601 -4.25454 GPRESSAVG: 4578600 56.9143 6.56419 -17.5369 5.08534 -51.6844 18.3539 -16.0974 21.4755 -3.41743 TIMING: 4578600 CPU: 13595.1, 0.00293838/step Wall: 13595.1, 0.00293838/step, 0.343953 hours remaining, 208.613281 MB of memory in use. ENERGY: 4578600 759.4828 2047.1129 1951.0745 101.3972 -206012.6124 17960.4251 0.0000 0.0000 34152.1450 -149040.9750 298.2592 -183193.1200 -148943.0546 299.3256 42.5470 70.5319 557948.9254 0.4680 0.6042 PRESSURE: 4578800 34.1619 69.5231 11.3674 69.5215 -167.054 -16.6896 11.3668 -16.69 -95.9686 GPRESSURE: 4578800 45.5703 35.4287 25.8029 33.072 -114.038 47.7782 17.0364 -104.248 -67.8827 PRESSAVG: 4578800 59.2409 36.7056 -33.0506 36.7055 -30.8151 -2.02381 -33.0505 -2.02392 -37.8241 GPRESSAVG: 4578800 58.8957 34.8079 -33.0943 36.2652 -29.7826 -0.840038 -33.8331 -2.41164 -38.1611 TIMING: 4578800 CPU: 13595.7, 0.00294384/step Wall: 13595.7, 0.00294384/step, 0.344429 hours remaining, 208.613281 MB of memory in use. ENERGY: 4578800 721.7972 2089.7609 1909.4517 116.7697 -205788.7608 17682.4402 0.0000 0.0000 34150.1527 -149118.3885 298.2418 -183268.5412 -149017.3423 299.0149 -76.2868 -45.4500 557485.1700 -3.1328 -3.0160 PRESSURE: 4579000 -110.066 32.8231 92.1359 32.8228 -90.9545 -79.9215 92.1359 -79.922 -39.8974 GPRESSURE: 4579000 -93.394 62.1211 5.68183 -15.5908 -79.1652 -35.2379 25.8196 -117.795 19.396 PRESSAVG: 4579000 -37.6829 11.9956 20.3549 11.9956 25.4821 58.0728 20.355 58.0729 24.9326 GPRESSAVG: 4579000 -36.8287 11.6129 21.2752 13.1217 24.8041 58.9068 19.7061 56.6174 24.5644 TIMING: 4579000 CPU: 13596.3, 0.00294373/step Wall: 13596.3, 0.00294373/step, 0.344253 hours remaining, 208.613281 MB of memory in use. ENERGY: 4579000 737.0365 2131.3758 1922.1191 106.8269 -206233.0775 17887.1792 0.0000 0.0000 34265.8547 -149182.6854 299.2522 -183448.5401 -149090.8914 299.4442 -80.3061 -51.0544 557884.7325 4.2439 4.1799 PRESSURE: 4579200 -230.824 79.7107 -103.007 79.7128 -354.579 -43.7884 -103.006 -43.7883 -13.3305 GPRESSURE: 4579200 -172.88 95.1641 -117.77 136.898 -246.317 -73.2466 -21.9841 2.16503 -74.4324 PRESSAVG: 4579200 -25.229 39.3984 80.8724 39.3984 -2.6013 -15.485 80.8724 -15.4849 36.0484 GPRESSAVG: 4579200 -25.7513 40.0317 78.75 39.1484 -2.14044 -15.7743 80.5141 -14.3014 35.6977 TIMING: 4579200 CPU: 13596.9, 0.00296136/step Wall: 13596.9, 0.00296136/step, 0.34615 hours remaining, 208.613281 MB of memory in use. ENERGY: 4579200 764.7893 2108.8372 1936.4109 108.9413 -205880.4169 17597.2449 0.0000 0.0000 34241.1501 -149123.0432 299.0365 -183364.1933 -149028.6423 299.1112 -199.5778 -164.5432 558259.2463 2.7394 2.6020 PRESSURE: 4579400 35.8233 -26.5567 136.806 -26.5574 39.6803 -0.718615 136.806 -0.720052 -103.794 GPRESSURE: 4579400 90.3327 60.2911 127.558 32.6343 44.9132 45.0325 150.219 4.81218 -62.9837 PRESSAVG: 4579400 -16.3341 -48.9036 27.0771 -48.9037 52.733 20.558 27.0771 20.5581 -70.3517 GPRESSAVG: 4579400 -16.6377 -48.2446 28.0191 -47.9829 52.377 19.3204 28.3819 20.9706 -69.5332 TIMING: 4579400 CPU: 13597.5, 0.00295459/step Wall: 13597.5, 0.00295459/step, 0.345194 hours remaining, 208.613281 MB of memory in use. ENERGY: 4579400 715.8333 2202.6367 1920.2519 109.4663 -206141.4958 17816.5921 0.0000 0.0000 34310.5439 -149066.1715 299.6425 -183376.7155 -148963.3067 299.7305 -9.4303 24.0874 558079.6673 -11.3176 -11.2646 PRESSURE: 4579600 -243.952 61.7243 -11.6207 61.7243 -288.231 79.2485 -11.6209 79.2472 -6.01919 GPRESSURE: 4579600 -145.959 45.1641 -38.7782 37.3049 -265.443 85.5521 -4.55046 88.3055 -18.892 PRESSAVG: 4579600 -1.83326 -39.1444 4.14869 -39.1444 -28.2645 -38.3633 4.14865 -38.3632 10.3281 GPRESSAVG: 4579600 -0.735722 -37.6321 3.66108 -41.8375 -28.3292 -36.0133 3.9283 -39.7564 9.20103 TIMING: 4579600 CPU: 13598, 0.00292184/step Wall: 13598, 0.00292184/step, 0.341206 hours remaining, 208.613281 MB of memory in use. ENERGY: 4579600 754.4794 2109.5799 1936.9743 107.2821 -205711.7423 17523.2639 0.0000 0.0000 34256.0601 -149024.1027 299.1667 -183280.1628 -148930.1876 299.4866 -179.4007 -143.4312 557986.4259 -6.5899 -6.6213 PRESSURE: 4579800 173.612 -130.856 30.819 -130.856 39.1253 142.158 30.8194 142.157 95.9387 GPRESSURE: 4579800 248.918 -61.2075 17.7349 -111.061 2.4194 124.957 -68.5084 129.787 147.837 PRESSAVG: 4579800 -11.8708 -48.0126 -10.8635 -48.0125 9.91143 40.573 -10.8636 40.573 46.3167 GPRESSAVG: 4579800 -12.2949 -49.0673 -13.4399 -45.7952 10.2935 37.9107 -8.87758 43.5989 46.6591 TIMING: 4579800 CPU: 13598.6, 0.00291529/step Wall: 13598.6, 0.00291529/step, 0.340279 hours remaining, 208.613281 MB of memory in use. ENERGY: 4579800 713.2333 2102.7249 1934.4054 108.0473 -206069.2694 17918.0798 0.0000 0.0000 34222.4149 -149070.3638 298.8729 -183292.7787 -148970.5360 299.5002 102.8919 133.0582 557721.6499 14.7858 14.8859 PRESSURE: 4580000 -76.5176 -281.309 -69.7381 -281.309 13.6878 10.7519 -69.7388 10.7531 133.551 GPRESSURE: 4580000 -42.9644 -229.219 -114.31 -172.89 17.4677 8.92549 -26.9463 14.2689 182.326 PRESSAVG: 4580000 45.0639 11.3086 10.7327 11.3086 -21.1152 45.1393 10.7326 45.1393 -22.5466 GPRESSAVG: 4580000 45.6319 10.4168 12.0406 10.8281 -21.2295 46.2491 10.6673 43.4166 -22.7149 TIMING: 4580000 CPU: 13599.2, 0.00291883/step Wall: 13599.2, 0.00291883/step, 0.340531 hours remaining, 208.613281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4580000 772.2329 2102.4753 1903.7211 97.2786 -206140.9231 17888.3462 0.0000 0.0000 34512.1325 -148864.7364 301.4030 -183376.8689 -148766.9094 299.8651 23.5739 52.2763 559151.1939 0.4674 0.5625 PRESSURE: 4580200 -95.7538 25.2487 85.5419 25.2469 190.193 -183.709 85.5436 -183.71 -93.5204 GPRESSURE: 4580200 -44.0213 27.6151 38.1203 -47.0036 232.531 -209.806 65.8883 -47.3339 -80.8255 PRESSAVG: 4580200 57.3644 -25.8009 -28.5668 -25.8009 -32.599 -23.3748 -28.5668 -23.3747 20.7819 GPRESSAVG: 4580200 56.0767 -24.7622 -28.1735 -26.5429 -32.5405 -22.6277 -30.4282 -22.7541 21.9876 TIMING: 4580200 CPU: 13599.8, 0.00293624/step Wall: 13599.8, 0.00293624/step, 0.342398 hours remaining, 208.613281 MB of memory in use. ENERGY: 4580200 738.4119 2079.2529 1934.3483 115.7068 -206066.2702 17875.1543 0.0000 0.0000 34404.9042 -148918.4918 300.4666 -183323.3960 -148818.8020 300.2008 0.3061 35.8947 558244.1369 15.1824 15.1746 LDB: ============= START OF LOAD BALANCING ============== 13603.3 LDB: ============== END OF LOAD BALANCING =============== 13603.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13603.3 LDB: ============= START OF LOAD BALANCING ============== 13603.6 LDB: Largest compute 4801 load 0.021005 is 17.8% of average load 0.118320 LDB: Average compute 0.001732 is 1.5% of average load 0.118320 LDB: TIME 13603.6 LOAD: AVG 0.11832 MAX 0.196053 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.574 MB LDB: TIME 13603.6 LOAD: AVG 0.11832 MAX 0.196053 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.574 MB LDB: TIME 13603.6 LOAD: AVG 0.11832 MAX 0.196053 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.574 MB LDB: ============== END OF LOAD BALANCING =============== 13603.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13603.6 PRESSURE: 4580400 -122.655 -173.002 18.4506 -173 58.9734 -83.4317 18.4505 -83.4336 -131.346 GPRESSURE: 4580400 -161.798 -168.872 32.4293 -105.402 141.435 -77.8117 -44.8176 -91.3986 -73.8959 PRESSAVG: 4580400 44.555 -22.2641 -16.8493 -22.264 -13.5962 -21.944 -16.8493 -21.944 -12.551 GPRESSAVG: 4580400 45.4806 -21.6304 -17.4747 -21.4884 -14.0807 -21.9632 -15.6654 -22.4908 -12.2962 TIMING: 4580400 CPU: 13600.4, 0.00298933/step Wall: 13600.4, 0.00298933/step, 0.348423 hours remaining, 209.062500 MB of memory in use. ENERGY: 4580400 760.8331 2066.2324 1926.0298 125.7802 -205787.3049 17683.1338 0.0000 0.0000 34107.2070 -149118.0886 297.8667 -183225.2955 -149015.8950 299.7790 -65.0092 -31.4197 558570.7046 6.1359 6.3679 PRESSURE: 4580600 340.533 42.2784 -4.5951 42.2773 140.969 9.56912 -4.59669 9.56914 100.687 GPRESSURE: 4580600 347.447 -10.0174 -49.5607 54.1033 236.959 -27.0614 35.8176 -42.3832 100.763 PRESSAVG: 4580600 66.0373 -45.8407 21.0773 -45.8406 6.57975 34.2526 21.0772 34.2526 -47.8694 GPRESSAVG: 4580600 65.6687 -47.5948 21.6304 -46.3065 6.77432 32.1347 20.1267 35.593 -47.669 TIMING: 4580600 CPU: 13601, 0.00295065/step Wall: 13601, 0.00295065/step, 0.343751 hours remaining, 209.265625 MB of memory in use. ENERGY: 4580600 748.3110 2062.6342 1941.7725 106.7182 -206351.5123 18130.0366 0.0000 0.0000 34158.6330 -149203.4067 298.3158 -183362.0397 -149104.6576 299.1594 194.0630 228.3899 557788.5681 8.2492 8.2580 PRESSURE: 4580800 117.9 -127.123 6.91475 -127.121 35.5211 22.0357 6.91375 22.0343 13.5278 GPRESSURE: 4580800 160.099 -85.4063 22.9863 -177.35 63.9229 92.3201 47.8807 -8.23323 48.2207 PRESSAVG: 4580800 35.4786 -25.5385 3.3817 -25.5385 -34.9136 -24.7815 3.38172 -24.7815 -54.3226 GPRESSAVG: 4580800 35.8566 -23.9069 3.46091 -28.299 -34.2093 -23.2756 2.78553 -24.4834 -55.3032 TIMING: 4580800 CPU: 13601.6, 0.00297058/step Wall: 13601.6, 0.00297058/step, 0.345908 hours remaining, 209.265625 MB of memory in use. ENERGY: 4580800 711.9514 2029.0608 1933.8239 117.0626 -206029.8720 17691.9313 0.0000 0.0000 34368.8736 -149177.1685 300.1519 -183546.0421 -149083.8356 299.5534 55.6498 90.7476 557882.7446 -17.9192 -17.8853 PRESSURE: 4581000 137.06 112.992 -126.157 112.993 -94.2744 14.0042 -126.158 14.0032 -30.8141 GPRESSURE: 4581000 163.701 111.003 -129.762 85.0348 -39.261 69.5082 -141.594 -7.14049 -6.22997 PRESSAVG: 4581000 -25.5074 -47.4567 -24.9038 -47.4567 -20.1178 40.5487 -24.9039 40.5487 -0.147919 GPRESSAVG: 4581000 -26.2269 -48.2635 -26.4283 -44.8131 -20.2776 41.5804 -23.023 40.3626 0.726517 TIMING: 4581000 CPU: 13602.2, 0.00296684/step Wall: 13602.2, 0.00296684/step, 0.345307 hours remaining, 209.265625 MB of memory in use. ENERGY: 4581000 741.7866 2069.5988 1912.2749 99.9936 -206209.1839 17815.4014 0.0000 0.0000 34301.3233 -149268.8053 299.5620 -183570.1286 -149180.7479 298.7887 3.9905 39.4035 557445.3176 -15.2577 -15.2593 PRESSURE: 4581200 5.2107 17.452 58.5565 17.4527 234.152 -27.5866 58.5554 -27.5874 204.665 GPRESSURE: 4581200 24.8261 16.4445 35.0128 -6.36486 308.705 15.6487 32.3483 -17.4545 213.065 PRESSAVG: 4581200 26.6071 43.4269 22.1058 43.4269 11.2925 34.7215 22.1058 34.7215 -12.2464 GPRESSAVG: 4581200 27.2113 43.7682 23.7885 43.8151 12.4073 33.9506 19.8813 33.0166 -13.9994 TIMING: 4581200 CPU: 13602.8, 0.00294651/step Wall: 13602.8, 0.00294651/step, 0.342777 hours remaining, 209.265625 MB of memory in use. ENERGY: 4581200 716.3824 2066.1925 1923.9185 121.2643 -206447.7577 18063.7482 0.0000 0.0000 34184.8114 -149371.4405 298.5445 -183556.2519 -149268.8691 299.5575 148.0091 182.1986 558819.3777 8.5511 8.5397 PRESSURE: 4581400 -41.8882 29.616 58.6119 29.6158 -157.25 15.7413 58.6119 15.7409 -358.459 GPRESSURE: 4581400 -32.11 39.2866 120.275 6.93593 -164.637 35.1877 -3.77131 30.5995 -268.869 PRESSAVG: 4581400 -21.9263 -2.30717 -4.37364 -2.30724 -23.3633 37.016 -4.37358 37.016 17.4932 GPRESSAVG: 4581400 -19.9939 -1.86599 -3.37436 -3.64437 -26.0318 34.8559 -5.29118 38.6919 18.5231 TIMING: 4581400 CPU: 13603.3, 0.00292953/step Wall: 13603.3, 0.00292953/step, 0.340639 hours remaining, 209.265625 MB of memory in use. ENERGY: 4581400 723.3598 2085.2972 1918.1957 111.5769 -206077.1775 17641.9801 0.0000 0.0000 34286.8028 -149309.9649 299.4352 -183596.7677 -149205.4154 298.8366 -185.8659 -155.2054 558752.5796 -9.2655 -9.1675 PRESSURE: 4581600 -75.2525 -107.494 -140.197 -107.494 21.9613 82.5857 -140.196 82.5848 20.2387 GPRESSURE: 4581600 -88.5225 -74.6745 -191.764 -88.7861 19.3349 110.233 -140.153 81.1671 122.738 PRESSAVG: 4581600 11.5051 19.0234 -46.5044 19.0233 1.07072 23.0746 -46.5044 23.0746 8.19644 GPRESSAVG: 4581600 9.98171 19.2045 -48.3887 18.9284 2.15017 26.0848 -44.3985 22.2875 8.43601 TIMING: 4581600 CPU: 13603.9, 0.00292608/step Wall: 13603.9, 0.00292608/step, 0.340075 hours remaining, 209.265625 MB of memory in use. ENERGY: 4581600 758.6464 2022.6663 1889.1614 112.7731 -206096.8014 17748.7869 0.0000 0.0000 34351.4155 -149213.3519 299.9995 -183564.7674 -149117.2395 299.6532 -11.0175 17.8500 557282.3186 6.9241 6.8560 PRESSURE: 4581800 22.5027 48.6622 101.924 48.6635 15.7704 -25.2985 101.924 -25.2981 -108.814 GPRESSURE: 4581800 20.3366 100.023 126.542 3.88791 64.341 -75.1021 82.174 91.0764 -55.1728 PRESSAVG: 4581800 -30.3144 0.579358 -19.5556 0.579373 -7.93238 -2.6696 -19.5556 -2.66959 0.663897 GPRESSAVG: 4581800 -30.5203 0.759907 -18.4484 -1.58249 -7.04335 -2.35347 -20.6846 -2.02989 0.76411 TIMING: 4581800 CPU: 13604.5, 0.00291147/step Wall: 13604.5, 0.00291147/step, 0.338216 hours remaining, 209.265625 MB of memory in use. ENERGY: 4581800 723.6228 2075.0024 1910.0274 114.9405 -206253.9650 17859.4818 0.0000 0.0000 34358.0257 -149212.8644 300.0572 -183570.8900 -149112.2057 299.4715 -23.5138 9.8349 558219.5743 -12.5276 -12.2665 PRESSURE: 4582000 50.7265 -190.924 -23.6674 -190.923 -238.141 -26.1572 -23.6678 -26.1585 -204.153 GPRESSURE: 4582000 147.836 -276.747 14.5302 -207.735 -215.18 -69.3774 -58.0505 -14.0857 -227.76 PRESSAVG: 4582000 64.972 18.4525 25.5919 18.4526 4.50826 -40.9806 25.592 -40.9807 -8.65954 GPRESSAVG: 4582000 65.2035 16.6956 26.6617 19.469 3.88167 -42.8861 25.6164 -40.1818 -8.50429 TIMING: 4582000 CPU: 13605.1, 0.00291508/step Wall: 13605.1, 0.00291508/step, 0.338474 hours remaining, 209.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4582000 777.8643 2078.1256 1949.8642 116.3419 -206055.9043 17702.2729 0.0000 0.0000 34139.5618 -149291.8735 298.1493 -183431.4353 -149196.0567 298.7684 -130.5225 -98.3682 557349.0873 20.2736 20.1936 PRESSURE: 4582200 49.3422 74.5802 62.5307 74.5805 148.253 -102.477 62.5305 -102.477 69.5376 GPRESSURE: 4582200 49.7095 129.214 -40.392 -4.7054 199.311 -90.8288 86.5544 -101.82 125.215 PRESSAVG: 4582200 -22.9485 -1.04591 56.2752 -1.04582 30.6698 9.69201 56.2752 9.69201 8.88884 GPRESSAVG: 4582200 -22.9292 0.206064 55.282 -0.606366 30.1177 9.44519 57.0088 8.79792 9.43032 TIMING: 4582200 CPU: 13605.7, 0.0029298/step Wall: 13605.7, 0.0029298/step, 0.340019 hours remaining, 209.265625 MB of memory in use. ENERGY: 4582200 784.0950 2154.6201 1910.2580 120.3946 -206681.9425 18162.2840 0.0000 0.0000 34117.3482 -149432.9427 297.9553 -183550.2909 -149340.0197 299.3069 89.0443 124.7449 556687.5487 5.5367 5.5396 PRESSURE: 4582400 284.954 -173.899 -70.8809 -173.899 -203.753 18.654 -70.8809 18.6524 -59.3412 GPRESSURE: 4582400 312.053 -200.547 24.0198 -55.1771 -158.887 72.8691 -140.36 8.5825 -28.5467 PRESSAVG: 4582400 33.9518 -8.8993 41.6829 -8.89934 -32.9578 14.2864 41.6829 14.2864 -13.033 GPRESSAVG: 4582400 33.8282 -10.0499 41.3861 -7.85536 -32.4413 13.7032 41.2675 16.1802 -13.3425 TIMING: 4582400 CPU: 13606.3, 0.00292574/step Wall: 13606.3, 0.00292574/step, 0.339386 hours remaining, 209.265625 MB of memory in use. ENERGY: 4582400 743.7420 2130.1487 1912.0462 101.9923 -206482.0286 17789.9730 0.0000 0.0000 34231.6496 -149572.4769 298.9535 -183804.1265 -149474.5796 298.7980 7.2864 41.5397 556209.8064 -4.0130 -3.9852 PRESSURE: 4582600 -196.571 0.72179 -27.1035 0.721098 -119.835 -88.7873 -27.1029 -88.7873 -31.495 GPRESSURE: 4582600 -138.003 -58.7798 -23.9709 73.5533 -154.557 -186.552 -91.0137 -58.1625 45.3763 PRESSAVG: 4582600 4.41828 -13.214 -17.0487 -13.2139 -7.3062 42.6212 -17.0487 42.6211 -27.7854 GPRESSAVG: 4582600 3.48119 -11.9994 -17.0052 -12.4266 -6.70738 44.6678 -17.1682 40.3053 -27.9971 TIMING: 4582600 CPU: 13606.9, 0.00291947/step Wall: 13606.9, 0.00291947/step, 0.338497 hours remaining, 209.265625 MB of memory in use. ENERGY: 4582600 740.4758 2080.9519 1927.5374 113.5894 -206465.1489 17557.3106 0.0000 0.0000 34271.2726 -149774.0111 299.2995 -184045.2837 -149671.3933 298.3469 -115.9669 -82.3946 555969.9089 -10.2244 -10.4077 PRESSURE: 4582800 0.953618 129.527 105.369 129.526 30.9992 -124.728 105.369 -124.729 -39.0388 GPRESSURE: 4582800 37.7391 10.641 92.8271 176.16 74.7257 -1.97318 71.7165 -93.2507 -30.1457 PRESSAVG: 4582800 26.6646 47.1202 -8.54047 47.1202 11.5351 -3.72514 -8.54053 -3.72513 -26.9327 GPRESSAVG: 4582800 27.8328 47.2762 -8.16301 47.5327 10.0753 -2.51585 -9.04099 -5.44972 -26.1091 TIMING: 4582800 CPU: 13607.4, 0.00292772/step Wall: 13607.4, 0.00292772/step, 0.33929 hours remaining, 209.265625 MB of memory in use. ENERGY: 4582800 706.7662 2050.0249 1908.0535 103.6295 -206415.2447 17830.7936 0.0000 0.0000 34091.5822 -149724.3948 297.7303 -183815.9770 -149632.1795 297.9622 -2.3620 27.4397 558339.7746 3.7557 3.9330 PRESSURE: 4583000 71.9138 -14.221 -189.708 -14.2211 -38.6049 -43.2552 -189.709 -43.2559 -194.556 GPRESSURE: 4583000 141.946 -87.371 -168.774 50.5662 -40.264 -100.291 -142.246 -49.0911 -152.45 PRESSAVG: 4583000 34.4774 6.46386 -6.41667 6.46384 16.7217 -48.8661 -6.41675 -48.8661 -54.231 GPRESSAVG: 4583000 33.7541 5.2236 -6.90436 5.92873 18.92 -50.5425 -4.53672 -46.5474 -55.549 TIMING: 4583000 CPU: 13608, 0.00293054/step Wall: 13608, 0.00293054/step, 0.339454 hours remaining, 209.265625 MB of memory in use. ENERGY: 4583000 741.3781 2089.3400 1921.6550 111.2275 -206585.3941 17902.9631 0.0000 0.0000 34004.3826 -149814.4478 296.9687 -183818.8303 -149719.4582 297.9234 -53.7491 -16.9226 556412.5072 -1.0106 -0.9583 PRESSURE: 4583200 -159.572 120.365 127.827 120.364 -268.736 143.217 127.826 143.219 147.594 GPRESSURE: 4583200 -92.3049 115.952 43.5112 73.8527 -286.515 162.154 120.561 120.598 200.43 PRESSAVG: 4583200 3.76803 21.7414 59.4404 21.7414 24.7521 -71.8038 59.4403 -71.8038 -17.4244 GPRESSAVG: 4583200 3.79645 24.0079 59.3329 20.1511 23.4047 -71.5859 58.726 -72.7378 -16.0194 TIMING: 4583200 CPU: 13608.6, 0.00291566/step Wall: 13608.6, 0.00291566/step, 0.337569 hours remaining, 209.265625 MB of memory in use. ENERGY: 4583200 794.4537 2100.2000 1898.6823 103.7148 -206497.1716 17925.5183 0.0000 0.0000 33867.3524 -149807.2501 295.7720 -183674.6025 -149720.3600 297.2346 -93.5714 -59.4633 556600.0155 3.6986 3.7272 PRESSURE: 4583400 -273.883 64.349 -53.9527 64.3502 -272.973 -110.134 -53.9526 -110.134 -137.449 GPRESSURE: 4583400 -232.315 119.787 -83.201 44.7814 -211.545 -156.936 -61.8552 -88.7807 -148.389 PRESSAVG: 4583400 -47.2351 5.40202 43.3923 5.40211 -13.1014 5.24887 43.3924 5.2489 48.1694 GPRESSAVG: 4583400 -47.145 4.7155 41.5821 6.06753 -13.2723 6.46674 45.7804 6.09912 47.9389 TIMING: 4583400 CPU: 13609.2, 0.00288905/step Wall: 13609.2, 0.00288905/step, 0.334328 hours remaining, 209.265625 MB of memory in use. ENERGY: 4583400 743.9127 2050.3271 1963.7584 105.0385 -206164.2297 17497.6043 0.0000 0.0000 34255.1450 -149548.4437 299.1587 -183803.5887 -149455.3308 298.1828 -228.1017 -197.4161 557340.9880 -4.0557 -4.1595 PRESSURE: 4583600 -4.18822 119.63 22.2755 119.629 -62.6459 -9.5061 22.275 -9.5066 -155.672 GPRESSURE: 4583600 24.9449 59.4449 16.396 213.497 -44.7003 -37.4829 69.0529 11.7086 -109.25 PRESSAVG: 4583600 8.41198 -13.4427 21.4677 -13.4427 -17.6998 -27.1209 21.4676 -27.1208 21.538 GPRESSAVG: 4583600 9.45184 -11.4477 25.8313 -15.2156 -18.4366 -27.0052 20.744 -28.1583 20.9702 TIMING: 4583600 CPU: 13609.8, 0.00290665/step Wall: 13609.8, 0.00290665/step, 0.336203 hours remaining, 209.265625 MB of memory in use. ENERGY: 4583600 748.6321 2115.5606 1916.2967 110.7848 -206394.2278 17854.1340 0.0000 0.0000 34195.7882 -149453.0315 298.6403 -183648.8197 -149352.6555 299.4911 -74.1686 -43.0019 558398.6657 4.0834 3.9952 PRESSURE: 4583800 -126.715 -125.99 -103.082 -125.989 -81.1597 121.591 -103.082 121.591 -141.586 GPRESSURE: 4583800 -103.183 -121.444 4.97417 -167.865 -23.0324 153.524 -115.054 79.7204 -135.005 PRESSAVG: 4583800 43.7858 -8.02707 24.6937 -8.02714 -55.0852 6.03101 24.6938 6.03091 -45.044 GPRESSAVG: 4583800 42.6285 -12.1695 24.1354 -7.28828 -52.6541 4.28257 22.8565 6.95985 -45.1975 TIMING: 4583800 CPU: 13610.4, 0.00294441/step Wall: 13610.4, 0.00294441/step, 0.340406 hours remaining, 209.265625 MB of memory in use. ENERGY: 4583800 765.0135 2048.7346 1936.6797 109.8731 -206115.0567 17680.3042 0.0000 0.0000 34235.6256 -149338.8260 298.9882 -183574.4516 -149242.5401 298.5008 -116.4869 -87.0734 557763.0317 -18.7811 -18.4077 PRESSURE: 4584000 32.7738 -4.21489 113.492 -4.21592 15.0726 85.7278 113.491 85.7282 9.87611 GPRESSURE: 4584000 83.805 12.6182 175.112 -39.7043 54.8176 159.917 92.8632 59.4081 27.8928 PRESSAVG: 4584000 10.5413 10.7797 -16.1611 10.7797 41.9181 -31.9659 -16.1611 -31.9659 -48.1234 GPRESSAVG: 4584000 11.1147 11.9071 -17.5971 11.6412 40.7476 -30.8381 -14.909 -30.7607 -46.9329 TIMING: 4584000 CPU: 13610.9, 0.0029469/step Wall: 13610.9, 0.0029469/step, 0.34053 hours remaining, 209.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4584000 759.7194 2072.5589 1927.0490 100.4841 -206105.5657 17845.9114 0.0000 0.0000 34256.9497 -149142.8933 299.1745 -183399.8430 -149048.1094 299.1362 19.2408 55.5052 557666.0488 1.4453 1.6431 PRESSURE: 4584200 -40.8184 79.9975 -116.245 79.9976 -5.58322 40.1118 -116.244 40.1121 -385.721 GPRESSURE: 4584200 -61.7582 33.4699 -67.0387 93.6571 114.787 77.6894 -116.385 -114.676 -388.127 PRESSAVG: 4584200 30.8552 -46.5672 41.9704 -46.5672 26.7441 9.92238 41.9703 9.92236 14.6439 GPRESSAVG: 4584200 30.6657 -46.8974 44.1812 -45.4163 28.3748 11.5758 42.2285 9.07564 13.327 TIMING: 4584200 CPU: 13611.5, 0.00293514/step Wall: 13611.5, 0.00293514/step, 0.339009 hours remaining, 209.265625 MB of memory in use. ENERGY: 4584200 738.1773 2126.9731 1935.8881 105.7231 -206141.7322 17553.5039 0.0000 0.0000 34335.9392 -149345.5274 299.8643 -183681.4666 -149248.3986 299.4133 -144.0408 -111.6992 557773.6214 24.0811 24.1225 LDB: ============= START OF LOAD BALANCING ============== 13615.1 LDB: ============== END OF LOAD BALANCING =============== 13615.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13615.1 LDB: ============= START OF LOAD BALANCING ============== 13615.4 LDB: Largest compute 4802 load 0.021866 is 18.5% of average load 0.118245 LDB: Average compute 0.001724 is 1.5% of average load 0.118245 LDB: TIME 13615.4 LOAD: AVG 0.118245 MAX 0.19621 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.484 MB LDB: TIME 13615.4 LOAD: AVG 0.118245 MAX 0.19621 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.484 MB LDB: TIME 13615.4 LOAD: AVG 0.118245 MAX 0.19621 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13615.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13615.4 PRESSURE: 4584400 3.66887 -123.721 40.1081 -123.721 -187.934 4.83187 40.1075 4.83154 58.7142 GPRESSURE: 4584400 20.4493 -72.8615 73.623 -217.913 -99.9562 3.64702 -108.766 -52.6601 61.9176 PRESSAVG: 4584400 -0.758891 -38.4056 -3.86359 -38.4055 37.9934 11.2999 -3.86368 11.2999 -105.108 GPRESSAVG: 4584400 -0.249388 -38.2499 -4.66983 -37.4181 37.597 9.43804 -4.62351 10.465 -105.318 TIMING: 4584400 CPU: 13612.1, 0.00298553/step Wall: 13612.1, 0.00298553/step, 0.344663 hours remaining, 209.511719 MB of memory in use. ENERGY: 4584400 750.8014 2051.0628 1912.2923 119.3649 -206380.6625 17839.4832 0.0000 0.0000 34348.2923 -149359.3657 299.9722 -183707.6579 -149258.5848 299.2736 -41.8502 -5.8631 556665.7957 -22.6245 -22.6567 PRESSURE: 4584600 245.458 -32.4458 -6.24974 -32.4466 108.274 150.874 -6.24948 150.875 -31.5117 GPRESSURE: 4584600 244.112 -50.1968 -56.9893 -44.9103 197.373 152.127 12.4195 224.964 -21.573 PRESSAVG: 4584600 63.4 -0.469476 -8.43826 -0.46951 9.81985 47.518 -8.43818 47.5179 -75.4889 GPRESSAVG: 4584600 61.9859 0.913819 -10.123 -1.80368 9.72578 47.5882 -7.62003 49.2538 -73.8858 TIMING: 4584600 CPU: 13612.7, 0.00294112/step Wall: 13612.7, 0.00294112/step, 0.339372 hours remaining, 209.511719 MB of memory in use. ENERGY: 4584600 754.2503 2087.9474 1935.7448 116.9469 -206424.2620 18058.2631 0.0000 0.0000 34127.4867 -149343.6228 298.0438 -183471.1094 -149245.5043 298.9032 107.4069 139.9709 557217.8446 -0.7564 -0.7247 PRESSURE: 4584800 190.002 -45.2415 86.192 -45.2421 146.807 37.0526 86.1915 37.0531 -28.51 GPRESSURE: 4584800 277.685 -137.042 -11.517 98.5467 164.794 -22.5414 144.209 -23.2711 -43.3725 PRESSAVG: 4584800 42.6615 -41.9942 4.2759 -41.9941 -31.3319 -25.1756 4.27583 -25.1756 -32.4581 GPRESSAVG: 4584800 43.5324 -42.1287 4.71745 -42.2745 -31.7822 -23.7185 3.8679 -28.2486 -33.2361 TIMING: 4584800 CPU: 13613.3, 0.0029377/step Wall: 13613.3, 0.0029377/step, 0.338814 hours remaining, 209.511719 MB of memory in use. ENERGY: 4584800 780.0414 2136.6148 1919.3050 122.9133 -206615.5695 18047.8968 0.0000 0.0000 34386.5749 -149222.2233 300.3065 -183608.7982 -149123.6582 299.5123 102.7666 133.0352 556869.9887 -7.0428 -7.1620 PRESSURE: 4585000 0.0449472 -238.802 54.6221 -238.803 -229.568 -89.4914 54.6226 -89.4916 -373.22 GPRESSURE: 4585000 17.0675 -235.503 91.4636 -191.419 -202.512 -39.8272 63.8648 -84.5359 -306.617 PRESSAVG: 4585000 71.2188 23.1394 -1.60647 23.1394 21.1789 -41.5526 -1.60651 -41.5526 -67.3382 GPRESSAVG: 4585000 70.995 21.8263 -1.70902 23.7698 20.7846 -42.5201 -1.77346 -38.2369 -67.0219 TIMING: 4585000 CPU: 13613.9, 0.00291433/step Wall: 13613.9, 0.00291433/step, 0.335958 hours remaining, 209.511719 MB of memory in use. ENERGY: 4585000 799.5541 2099.4930 1911.6228 115.0819 -205864.4686 17594.4809 0.0000 0.0000 34234.2105 -149110.0254 298.9759 -183344.2359 -149013.2517 299.0418 -200.9146 -164.0204 557986.7807 8.3532 8.2526 PRESSURE: 4585200 -178.932 10.9082 41.0446 10.9078 54.013 1.78849 41.044 1.78862 17.647 GPRESSURE: 4585200 -142.343 -68.3187 -16.8916 183.494 87.8625 -1.603 86.306 -97.2502 36.4683 PRESSAVG: 4585200 30.3834 -56.3727 7.41042 -56.3726 -17.4366 -43.1101 7.41044 -43.1102 -13.889 GPRESSAVG: 4585200 32.1997 -55.9245 8.78293 -55.6489 -17.9476 -42.488 7.13677 -43.6445 -14.3329 TIMING: 4585200 CPU: 13614.5, 0.0029256/step Wall: 13614.5, 0.0029256/step, 0.337095 hours remaining, 209.511719 MB of memory in use. ENERGY: 4585200 741.8160 2094.0110 1958.3551 127.3984 -205940.2571 17859.8926 0.0000 0.0000 34189.8317 -148968.9523 298.5883 -183158.7840 -148873.7838 299.4352 -35.7574 -6.0042 559726.3208 -0.3141 -0.0269 PRESSURE: 4585400 148.456 28.845 14.05 28.844 118.498 55.8794 14.0494 55.8786 -265.618 GPRESSURE: 4585400 120.238 83.2809 89.2265 70.2982 139.188 88.5234 -92.5776 6.35524 -180.277 PRESSAVG: 4585400 26.7977 -28.8926 41.5669 -28.8927 -28.2774 22.8004 41.5669 22.8004 -0.738673 GPRESSAVG: 4585400 24.9032 -28.1795 40.0058 -30.4249 -25.9133 22.6165 41.5384 22.8776 -0.886391 TIMING: 4585400 CPU: 13615.1, 0.00291023/step Wall: 13615.1, 0.00291023/step, 0.335161 hours remaining, 209.511719 MB of memory in use. ENERGY: 4585400 749.3179 2082.5743 1933.7842 104.0024 -206324.0061 17866.1218 0.0000 0.0000 34483.6585 -149104.5470 301.1544 -183588.2055 -149008.0984 299.9239 0.4453 26.3827 556574.5836 -0.7395 -0.6322 PRESSURE: 4585600 0.0648574 -51.7587 8.64099 -51.7594 -27.8414 -58.2177 8.64082 -58.2179 169.11 GPRESSURE: 4585600 -8.34686 -81.4012 71.8581 13.5207 51.8159 -78.1579 -21.9218 -23.0312 189.74 PRESSAVG: 4585600 27.5747 -26.5904 62.8648 -26.5904 0.93179 -23.4872 62.8649 -23.4871 21.8542 GPRESSAVG: 4585600 27.672 -27.2685 61.1638 -25.1214 -0.571868 -24.4726 62.2593 -22.5931 23.4157 TIMING: 4585600 CPU: 13615.6, 0.00293985/step Wall: 13615.6, 0.00293985/step, 0.338409 hours remaining, 209.511719 MB of memory in use. ENERGY: 4585600 712.3852 2079.7360 1927.3668 110.4531 -206098.6313 17712.8024 0.0000 0.0000 34553.1981 -149002.6897 301.7617 -183555.8878 -148906.7620 299.1004 47.1111 77.7363 555673.4978 16.7869 16.8386 PRESSURE: 4585800 -91.6462 -88.6675 30.0223 -88.6666 -116.964 -156.676 30.0232 -156.676 230.388 GPRESSURE: 4585800 -77.6634 -91.9548 20.4228 -62.6313 -78.7699 -117.547 60.837 -84.5614 274.149 PRESSAVG: 4585800 -55.8858 -35.1487 36.9047 -35.1488 -9.14234 -39.6709 36.9047 -39.6709 56.6592 GPRESSAVG: 4585800 -55.2025 -33.2293 38.139 -36.5275 -9.94492 -39.5918 37.6418 -41.1954 56.3795 TIMING: 4585800 CPU: 13616.2, 0.00293177/step Wall: 13616.2, 0.00293177/step, 0.337316 hours remaining, 209.511719 MB of memory in use. ENERGY: 4585800 753.9488 2117.4393 1937.9598 137.2936 -205767.7190 17670.0902 0.0000 0.0000 34175.7290 -148975.2583 298.4651 -183150.9874 -148885.8467 299.9374 7.2592 39.2385 556678.6130 -2.7896 -2.9227 PRESSURE: 4586000 71.8627 -70.3065 -168.724 -70.3064 -138.616 -140.375 -168.724 -140.374 -146.387 GPRESSURE: 4586000 40.2938 -75.6422 -103.477 -32.1764 -83.4142 -166.108 -215.682 -125.666 -68.9152 PRESSAVG: 4586000 40.5484 -22.5648 57.5632 -22.5648 -76.811 -87.4326 57.5632 -87.4327 -0.0736305 GPRESSAVG: 4586000 38.8058 -23.9351 59.3272 -20.6294 -76.914 -87.1732 57.09 -87.396 1.0743 TIMING: 4586000 CPU: 13616.8, 0.00292781/step Wall: 13616.8, 0.00292781/step, 0.336698 hours remaining, 209.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4586000 758.5175 2156.2199 1938.6151 126.7840 -205560.5700 17582.8842 0.0000 0.0000 34044.7371 -148952.8123 297.3212 -182997.5494 -148857.2783 300.1403 -71.0469 -37.3452 558024.2105 -12.1121 -12.3447 PRESSURE: 4586200 190.079 -57.7942 -34.7178 -57.7938 259.014 142.954 -34.7171 142.954 -100.496 GPRESSURE: 4586200 232.249 5.238 -22.1361 -117.043 232.859 139.891 53.4076 237.847 -17.7505 PRESSAVG: 4586200 75.836 -4.66163 21.9959 -4.66167 11.055 -59.3935 21.9959 -59.3936 -56.4358 GPRESSAVG: 4586200 76.144 -4.76179 21.5059 -5.66399 11.4662 -59.228 21.3024 -60.1382 -56.9151 TIMING: 4586200 CPU: 13617.4, 0.00292715/step Wall: 13617.4, 0.00292715/step, 0.33646 hours remaining, 209.511719 MB of memory in use. ENERGY: 4586200 739.6473 2081.8772 1934.2454 128.9755 -206079.1915 17933.4152 0.0000 0.0000 34338.6512 -148922.3797 299.8880 -183261.0309 -148827.0859 300.4245 116.1989 149.1192 557798.7456 10.1517 10.2317 PRESSURE: 4586400 12.1241 -22.4007 191.29 -22.4008 40.5787 15.12 191.29 15.1208 -184.576 GPRESSURE: 4586400 -0.459865 -1.6892 293.598 -65.6333 99.972 -24.3699 86.0725 55.0934 -144.808 PRESSAVG: 4586400 76.7259 -26.0486 -3.71733 -26.0486 2.53109 21.5842 -3.7173 21.584 -60.1073 GPRESSAVG: 4586400 77.5884 -27.6728 -4.96096 -25.7063 2.62745 19.816 -1.67068 22.4475 -60.6635 TIMING: 4586400 CPU: 13618, 0.00294403/step Wall: 13618, 0.00294403/step, 0.338236 hours remaining, 209.511719 MB of memory in use. ENERGY: 4586400 735.6071 2027.3214 1942.7520 121.1612 -206009.8319 17883.1739 0.0000 0.0000 34348.1008 -148951.7155 299.9705 -183299.8163 -148852.9707 299.7544 -43.9579 -15.0987 559891.7781 6.3832 6.5174 PRESSURE: 4586600 87.3593 119.025 68.8223 119.027 -46.1769 91.1908 68.8235 91.1901 -56.6642 GPRESSURE: 4586600 153.013 113.736 47.0454 109.571 2.03825 159.189 83.9827 58.5547 -81.2108 PRESSAVG: 4586600 34.3458 36.7073 73 36.7073 -24.6434 17.2218 73 17.2218 -25.9801 GPRESSAVG: 4586600 33.3932 38.7146 73.7519 35.4118 -24.1983 20.8972 72.4887 16.1739 -25.7293 TIMING: 4586600 CPU: 13618.6, 0.00294781/step Wall: 13618.6, 0.00294781/step, 0.338507 hours remaining, 209.511719 MB of memory in use. ENERGY: 4586600 754.4573 2115.9983 1935.6349 105.8893 -205779.5726 17596.0483 0.0000 0.0000 34462.5743 -148808.9703 300.9702 -183271.5446 -148715.0154 300.2791 -5.1606 24.6135 557308.7089 -5.4259 -5.5115 PRESSURE: 4586800 403.347 -30.312 164.048 -30.3123 21.6974 -119.242 164.048 -119.242 -27.583 GPRESSURE: 4586800 457.04 5.24612 171.609 -2.89221 26.285 -132.58 172.191 -90.5209 9.93429 PRESSAVG: 4586800 5.36635 43.6907 17.9653 43.6906 16.949 -42.2184 17.9653 -42.2184 -19.4182 GPRESSAVG: 4586800 6.38261 42.8011 18.1804 44.3112 15.4582 -43.0292 17.5653 -40.9881 -19.5726 TIMING: 4586800 CPU: 13619.2, 0.00293641/step Wall: 13619.2, 0.00293641/step, 0.337035 hours remaining, 209.511719 MB of memory in use. ENERGY: 4586800 758.3701 2075.0574 1950.9166 127.0927 -205973.9256 17964.9261 0.0000 0.0000 34372.8208 -148724.7419 300.1864 -183097.5627 -148631.3862 300.5715 132.4871 164.4198 557369.8324 0.9657 0.7561 PRESSURE: 4587000 244.296 -86.7258 89.1097 -86.7267 91.2636 93.59 89.1106 93.5908 -16.5331 GPRESSURE: 4587000 246.805 -93.6969 91.9411 -87.484 112.493 99.8052 76.3275 89.7607 49.1223 PRESSAVG: 4587000 70.0072 61.3233 -26.2783 61.3233 -25.1918 -1.17382 -26.2783 -1.1738 -66.5372 GPRESSAVG: 4587000 68.8754 61.4868 -25.6725 62.3808 -24.3095 -2.35238 -26.6804 -3.2539 -66.7075 TIMING: 4587000 CPU: 13619.8, 0.00293226/step Wall: 13619.8, 0.00293226/step, 0.336396 hours remaining, 209.511719 MB of memory in use. ENERGY: 4587000 749.7442 2107.3047 1957.1990 116.8908 -205754.9342 17736.2488 0.0000 0.0000 34435.2989 -148652.2478 300.7320 -183087.5467 -148558.2891 300.5695 106.3423 136.1398 557448.5239 -7.2406 -7.3806 PRESSURE: 4587200 49.4769 -97.7895 -160.897 -97.7913 -27.2088 94.7069 -160.897 94.7058 240.688 GPRESSURE: 4587200 66.0932 -41.4327 -172.208 -119.497 72.0375 60.9181 -119.97 28.6792 210.088 PRESSAVG: 4587200 36.5459 -9.44544 -1.80958 -9.44552 -25.0051 39.9273 -1.80953 39.9272 -5.0747 GPRESSAVG: 4587200 37.5872 -8.36122 -3.39163 -10.5987 -24.8025 38.9275 -3.02128 41.1371 -5.78218 TIMING: 4587200 CPU: 13620.3, 0.00292782/step Wall: 13620.3, 0.00292782/step, 0.335723 hours remaining, 209.511719 MB of memory in use. ENERGY: 4587200 725.4623 2135.5348 1951.8159 103.3872 -205953.1391 17846.4155 0.0000 0.0000 34510.4511 -148680.0723 301.3884 -183190.5234 -148579.5684 301.2096 87.6520 116.0728 556958.4487 2.1554 2.3342 PRESSURE: 4587400 117.041 -23.427 -68.6164 -23.4275 -46.2625 -26.2283 -68.6178 -26.2261 -247.605 GPRESSURE: 4587400 144.003 55.3622 -91.5076 -78.2554 -21.4962 -32.6321 -45.1992 -9.52977 -194.743 PRESSAVG: 4587400 36.3973 -71.7672 -76.3206 -71.7672 -47.9674 9.77385 -76.3206 9.77384 4.7016 GPRESSAVG: 4587400 36.4049 -72.1545 -76.4818 -71.7926 -48.9964 11.5446 -76.7404 10.6884 6.30216 TIMING: 4587400 CPU: 13620.9, 0.00293693/step Wall: 13620.9, 0.00293693/step, 0.336605 hours remaining, 209.511719 MB of memory in use. ENERGY: 4587400 744.7221 2135.4219 1950.2300 110.7355 -205612.7174 17393.3307 0.0000 0.0000 34319.0860 -148959.1912 299.7171 -183278.2772 -148864.8334 300.5940 -58.9422 -24.0786 556571.3815 -2.2895 -2.0964 PRESSURE: 4587600 -73.2216 -175.071 103.866 -175.071 -287.501 41.1963 103.868 41.1965 -17.2581 GPRESSURE: 4587600 -20.067 -273.013 176.998 -182.3 -227.634 -21.2446 56.7828 157.7 -27.7462 PRESSAVG: 4587600 -35.56 -89.5223 29.6616 -89.5224 17.4981 -14.9829 29.6615 -14.9829 -20.9537 GPRESSAVG: 4587600 -35.4271 -90.6544 29.0688 -89.739 16.1153 -16.4543 31.9161 -14.8274 -19.7817 TIMING: 4587600 CPU: 13621.5, 0.0029344/step Wall: 13621.5, 0.0029344/step, 0.336152 hours remaining, 209.511719 MB of memory in use. ENERGY: 4587600 739.8324 2055.7618 1951.4369 124.5492 -205838.5383 17630.7369 0.0000 0.0000 34411.4308 -148924.7903 300.5236 -183336.2211 -148820.5188 300.0174 -125.9937 -91.8156 556839.5898 -13.0052 -13.0312 PRESSURE: 4587800 -84.6827 -187.299 -15.0065 -187.299 40.4673 166.838 -15.0066 166.837 -11.7525 GPRESSURE: 4587800 -43.5297 -252.213 -67.9665 -57.9965 116.884 161.079 10.7639 172.596 -21.1205 PRESSAVG: 4587800 -28.3017 -30.6829 25.6689 -30.6831 7.84845 13.811 25.6689 13.8109 -2.55957 GPRESSAVG: 4587800 -28.6926 -29.8373 28.0045 -29.4252 8.47173 13.5794 25.3528 13.405 -2.9593 TIMING: 4587800 CPU: 13622.1, 0.00294754/step Wall: 13622.1, 0.00294754/step, 0.337493 hours remaining, 209.511719 MB of memory in use. ENERGY: 4587800 754.8548 2097.9645 1931.8435 112.8798 -205808.8433 17721.2155 0.0000 0.0000 34437.1691 -148752.9161 300.7484 -183190.0852 -148667.5646 300.5070 -18.6560 17.4111 556565.7112 -7.6709 -7.7267 PRESSURE: 4588000 -148.417 9.53165 -33.8679 9.53139 -304.433 -162.538 -33.8683 -162.537 -177.333 GPRESSURE: 4588000 -114.92 160.115 -128.948 -124.817 -234.266 -174.928 -9.67568 -119.923 -166.351 PRESSAVG: 4588000 11.7317 -31.1779 -22.0221 -31.178 -25.2704 -32.4511 -22.0222 -32.4511 -21.2932 GPRESSAVG: 4588000 12.544 -31.8484 -23.3087 -31.725 -25.6857 -32.7538 -20.8461 -32.5194 -21.9038 TIMING: 4588000 CPU: 13622.7, 0.00293132/step Wall: 13622.7, 0.00293132/step, 0.335473 hours remaining, 209.511719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4588000 742.1421 2101.1003 1930.0792 110.9825 -205429.9016 17370.0427 0.0000 0.0000 34342.7567 -148832.7981 299.9238 -183175.5548 -148733.3198 300.7932 -210.0611 -171.8456 556854.2448 -11.6106 -11.6818 PRESSURE: 4588200 -111.123 -36.5566 -107.361 -36.5568 101.101 140.23 -107.36 140.231 54.0724 GPRESSURE: 4588200 -53.647 -43.3997 -125.348 -27.7396 83.364 146.32 -121.511 93.9313 99.4145 PRESSAVG: 4588200 5.66841 -15.7756 12.5588 -15.7756 -36.6927 27.2673 12.5588 27.2674 36.08 GPRESSAVG: 4588200 5.72476 -15.9648 11.8131 -17.177 -37.308 25.9865 11.7814 27.6512 36.6689 TIMING: 4588200 CPU: 13623.3, 0.00293578/step Wall: 13623.3, 0.00293578/step, 0.335821 hours remaining, 209.511719 MB of memory in use. ENERGY: 4588200 738.6580 2093.4309 1954.0466 116.5781 -205909.4102 17712.1882 0.0000 0.0000 34314.8633 -148979.6451 299.6802 -183294.5084 -148885.2850 299.7569 14.6833 43.0438 557345.1606 1.6852 1.6952 LDB: ============= START OF LOAD BALANCING ============== 13626.8 LDB: ============== END OF LOAD BALANCING =============== 13626.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13626.8 LDB: ============= START OF LOAD BALANCING ============== 13627.1 LDB: Largest compute 4801 load 0.022111 is 18.7% of average load 0.118251 LDB: Average compute 0.001730 is 1.5% of average load 0.118251 LDB: TIME 13627.1 LOAD: AVG 0.118251 MAX 0.196107 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.082 MB LDB: TIME 13627.1 LOAD: AVG 0.118251 MAX 0.196107 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.281 MB LDB: TIME 13627.1 LOAD: AVG 0.118251 MAX 0.196107 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.281 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13627.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13627.1 PRESSURE: 4588400 -154.079 19.2584 101.672 19.259 9.93362 91.0812 101.673 91.0796 -88.0439 GPRESSURE: 4588400 -160.725 64.6221 63.2286 54.0099 130.097 102.085 111.723 92.725 -93.9708 PRESSAVG: 4588400 -8.20191 11.7868 -2.86031 11.7869 -50.0838 34.4316 -2.86034 34.4316 42.6313 GPRESSAVG: 4588400 -8.67354 12.5559 -3.15462 12.8662 -49.0583 35.9064 -4.59257 33.4183 41.5663 TIMING: 4588400 CPU: 13623.9, 0.00300527/step Wall: 13623.9, 0.00300527/step, 0.343603 hours remaining, 209.253906 MB of memory in use. ENERGY: 4588400 751.1660 2079.8212 1958.5533 121.8156 -205798.6492 17595.6244 0.0000 0.0000 34478.5806 -148813.0882 301.1100 -183291.6688 -148713.2422 300.4107 -77.3964 -41.5332 557348.4438 -5.2182 -5.3885 PRESSURE: 4588600 313.023 -3.80345 139.341 -3.80366 -85.7319 50.1412 139.342 50.1407 105.611 GPRESSURE: 4588600 369.05 78.509 116.385 -84.8851 -73.8779 84.2475 90.962 -12.4411 117.719 PRESSAVG: 4588600 21.8435 17.9126 -12.9747 17.9126 -9.16436 -0.459433 -12.9747 -0.459288 -7.03927 GPRESSAVG: 4588600 22.9578 17.7803 -12.2159 17.7578 -9.67856 2.3401 -11.4826 -1.82007 -7.22448 TIMING: 4588600 CPU: 13624.5, 0.00294966/step Wall: 13624.5, 0.00294966/step, 0.33708 hours remaining, 209.457031 MB of memory in use. ENERGY: 4588600 730.5326 2080.9031 1934.5155 132.4438 -205920.1722 17947.2086 0.0000 0.0000 34155.7505 -148938.8182 298.2907 -183094.5686 -148844.4736 299.9090 110.9673 137.6302 558499.4436 1.8800 2.0182 PRESSURE: 4588800 -65.9833 -18.7282 -38.8132 -18.7271 1.53707 -132.142 -38.8137 -132.142 1.55723 GPRESSURE: 4588800 -21.062 -8.59618 -40.6932 -72.155 20.3807 -83.665 15.3869 -154.331 38.9799 PRESSAVG: 4588800 39.0087 1.06591 -16.8578 1.06598 -41.5009 55.3786 -16.8578 55.3784 2.80984 GPRESSAVG: 4588800 39.2906 -1.63307 -18.4145 3.75741 -41.3226 54.5012 -16.7266 55.9888 3.11704 TIMING: 4588800 CPU: 13625.1, 0.00293736/step Wall: 13625.1, 0.00293736/step, 0.335512 hours remaining, 209.457031 MB of memory in use. ENERGY: 4588800 762.6066 2112.9431 1948.0010 101.5789 -206090.4618 17698.6412 0.0000 0.0000 34401.2050 -149065.4860 300.4343 -183466.6910 -148971.7702 299.6159 -20.9630 12.7662 557160.5208 0.1059 0.3617 PRESSURE: 4589000 119.163 90.5862 176.19 90.5861 -17.4813 32.9127 176.189 32.9126 -82.806 GPRESSURE: 4589000 140.251 70.3387 140.318 98.4138 -2.96415 101.976 136.764 -63.7361 -32.2103 PRESSAVG: 4589000 52.2534 -26.5078 15.5633 -26.5079 -36.0956 -43.4638 15.5632 -43.4637 -2.34099 GPRESSAVG: 4589000 50.8996 -25.516 17.6416 -28.5039 -35.7296 -44.2297 13.3407 -43.045 -1.50473 TIMING: 4589000 CPU: 13625.6, 0.0029411/step Wall: 13625.6, 0.0029411/step, 0.335775 hours remaining, 209.457031 MB of memory in use. ENERGY: 4589000 745.8427 2124.0350 1909.5539 126.1277 -206198.4637 17825.0576 0.0000 0.0000 34362.3684 -149105.4782 300.0951 -183467.8467 -149008.0630 299.4755 6.2917 35.0256 557380.0295 4.6056 4.5551 PRESSURE: 4589200 78.0104 -95.2776 -101.008 -95.2801 67.0488 -110.028 -101.009 -110.027 -148.008 GPRESSURE: 4589200 84.3301 -32.5671 -151.343 -150.846 116.228 -149.884 -44.7501 -125.372 -116.294 PRESSAVG: 4589200 14.1198 29.1051 3.11599 29.1052 -23.9908 -12.453 3.11601 -12.4531 -19.7305 GPRESSAVG: 4589200 14.6254 31.8934 -0.0904677 29.3269 -23.7553 -11.976 4.08986 -14.0367 -20.1511 TIMING: 4589200 CPU: 13626.2, 0.00294899/step Wall: 13626.2, 0.00294899/step, 0.336513 hours remaining, 209.457031 MB of memory in use. ENERGY: 4589200 791.3185 2126.1284 1924.9499 106.3539 -206188.1059 17820.0987 0.0000 0.0000 34273.9278 -149145.3287 299.3227 -183419.2565 -149053.4285 299.4567 -0.9828 28.0882 556641.1222 -9.8671 -9.7603 PRESSURE: 4589400 -239.416 135.737 -19.3317 135.735 41.8755 1.81292 -19.3332 1.81229 -142.212 GPRESSURE: 4589400 -144.083 57.247 77.1663 109.89 -7.56154 21.3577 -56.637 90.3798 -94.5038 PRESSAVG: 4589400 21.5174 29.5651 -37.6476 29.5652 -21.3688 -10.8864 -37.6476 -10.8864 -3.60525 GPRESSAVG: 4589400 22.5627 28.3415 -35.8257 26.6903 -21.9498 -10.6007 -37.591 -11.1052 -4.0393 TIMING: 4589400 CPU: 13626.8, 0.00293932/step Wall: 13626.8, 0.00293932/step, 0.335245 hours remaining, 209.457031 MB of memory in use. ENERGY: 4589400 728.8094 2220.4208 1930.4625 111.7029 -205746.4050 17564.4446 0.0000 0.0000 34080.2095 -149110.3553 297.6309 -183190.5648 -149016.8214 299.5760 -113.2506 -82.0496 557912.9228 -1.1522 -1.1421 PRESSURE: 4589600 -8.0446 20.2489 -81.2646 20.2492 -193.34 75.6561 -81.2643 75.6564 -337.762 GPRESSURE: 4589600 18.1194 -14.8035 -79.743 130.863 -175.931 91.2023 -22.1787 54.2028 -294.432 PRESSAVG: 4589600 34.7799 16.3581 11.4811 16.358 -47.0965 -35.4713 11.4812 -35.4712 -37.3628 GPRESSAVG: 4589600 35.1102 15.5472 11.6295 19.9852 -47.6845 -33.5377 13.4685 -34.0929 -37.4756 TIMING: 4589600 CPU: 13627.4, 0.0029214/step Wall: 13627.4, 0.0029214/step, 0.333039 hours remaining, 209.457031 MB of memory in use. ENERGY: 4589600 802.2890 2127.0620 1935.9151 110.9622 -205971.9803 17561.6899 0.0000 0.0000 34328.0242 -149106.0380 299.7952 -183434.0621 -149010.0572 299.6563 -179.7157 -150.7478 558299.7223 -16.5598 -16.6833 PRESSURE: 4589800 33.4788 120.104 121.864 120.103 14.9352 65.7685 121.865 65.7685 -62.1432 GPRESSURE: 4589800 99.2993 104.408 56.1151 118.166 30.2094 -36.9029 19.186 148.563 -51.1845 PRESSAVG: 4589800 50.3993 22.0735 -62.0156 22.0735 37.9425 -29.2991 -62.0156 -29.299 -40.7918 GPRESSAVG: 4589800 48.9586 23.3541 -61.3845 19.1909 38.9611 -32.2483 -63.7524 -26.4242 -40.2762 TIMING: 4589800 CPU: 13628, 0.00293244/step Wall: 13628, 0.00293244/step, 0.334136 hours remaining, 209.457031 MB of memory in use. ENERGY: 4589800 724.4054 2160.3464 1943.2805 128.2746 -206136.3407 17962.6377 0.0000 0.0000 34199.1117 -149018.2845 298.6693 -183217.3962 -148916.3792 300.0965 -4.5764 26.1081 558957.2271 15.8500 15.8812 PRESSURE: 4590000 286.435 -28.7449 -82.269 -28.7459 -78.5201 137.168 -82.2694 137.168 43.9007 GPRESSURE: 4590000 350.016 80.5292 -29.3242 -16.7915 -22.2024 54.8063 -92.874 188.463 26.0211 PRESSAVG: 4590000 44.4705 -63.1655 24.6589 -63.1655 -27.5331 33.4219 24.6589 33.422 -1.51234 GPRESSAVG: 4590000 45.3779 -62.2535 24.3955 -63.0945 -27.8236 34.1683 25.709 31.3663 -1.45823 TIMING: 4590000 CPU: 13628.6, 0.00293245/step Wall: 13628.6, 0.00293245/step, 0.333974 hours remaining, 209.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4590000 728.6613 2152.8455 1927.3038 110.6198 -206190.9466 17967.1723 0.0000 0.0000 34156.0203 -149148.3236 298.2930 -183304.3440 -149056.5597 299.2141 83.9384 117.9450 558306.8810 5.1417 5.3654 PRESSURE: 4590200 -261.539 167.305 -18.756 167.304 -155.311 158.171 -18.7551 158.172 -251.531 GPRESSURE: 4590200 -189.648 209.584 35.6409 101.556 -125.8 160.503 7.93095 198.079 -257.328 PRESSAVG: 4590200 63.6385 46.9765 20.7746 46.9765 -68.9347 19.1156 20.7745 19.1156 -32.7404 GPRESSAVG: 4590200 64.0003 45.8668 21.5161 46.7836 -69.1872 19.3169 18.4101 17.2371 -32.5559 TIMING: 4590200 CPU: 13629.2, 0.00294675/step Wall: 13629.2, 0.00294675/step, 0.335439 hours remaining, 209.457031 MB of memory in use. ENERGY: 4590200 804.2730 2086.3718 1895.4424 122.7542 -205749.1887 17452.0571 0.0000 0.0000 34141.3110 -149246.9791 298.1646 -183388.2902 -149143.8547 298.7412 -222.7935 -190.9257 559645.7521 -12.6789 -12.5810 PRESSURE: 4590400 -332.654 140.085 -109.563 140.085 -260.189 79.4952 -109.561 79.4953 -259.162 GPRESSURE: 4590400 -228.966 236.56 -61.1737 106.396 -319.764 151.302 -72.6293 84.191 -209.397 PRESSAVG: 4590400 -8.1531 14.6405 -8.76608 14.6406 3.59323 -21.9049 -8.76611 -21.905 -28.7069 GPRESSAVG: 4590400 -8.9681 13.7041 -9.88288 17.0279 3.66005 -22.285 -7.15116 -20.3954 -28.0402 TIMING: 4590400 CPU: 13629.7, 0.00292673/step Wall: 13629.7, 0.00292673/step, 0.332997 hours remaining, 209.457031 MB of memory in use. ENERGY: 4590400 735.7194 2132.1038 1959.2053 108.6154 -205822.8871 17412.3834 0.0000 0.0000 34134.0460 -149340.8139 298.1011 -183474.8599 -149250.6497 298.7540 -284.0017 -252.7094 559505.1751 -11.0889 -11.1161 PRESSURE: 4590600 60.2247 -173.104 8.58939 -173.104 -164.791 16.6699 8.58881 16.6687 437.712 GPRESSURE: 4590600 101.249 -96.1664 43.3579 -214.091 -193.717 -30.7821 -81.354 33.7678 516.418 PRESSAVG: 4590600 -2.00245 71.3975 -51.0397 71.3974 23.331 11.3112 -51.0397 11.3113 -23.3227 GPRESSAVG: 4590600 -1.48668 73.2443 -50.7874 70.3996 22.9515 10.9547 -51.687 14.1208 -23.472 TIMING: 4590600 CPU: 13630.3, 0.00293276/step Wall: 13630.3, 0.00293276/step, 0.33352 hours remaining, 209.457031 MB of memory in use. ENERGY: 4590600 705.5123 2167.9617 1945.8794 115.5261 -206543.9157 18127.7728 0.0000 0.0000 34062.7490 -149418.5144 297.4785 -183481.2634 -149331.0181 298.3306 111.0488 141.3169 557874.0682 -0.6647 -0.6691 PRESSURE: 4590800 -27.9939 144.076 -11.5281 144.076 -161.03 -138.657 -11.5257 -138.657 -148.141 GPRESSURE: 4590800 -55.7247 150.267 -11.2193 128.174 -99.6307 -87.6439 88.8705 -58.9931 -75.6238 PRESSAVG: 4590800 -10.2976 11.6397 -38.9728 11.6398 -65.6233 64.3947 -38.9728 64.3948 83.7201 GPRESSAVG: 4590800 -10.8729 9.06437 -38.8027 12.5136 -65.7499 66.444 -39.6164 63.6852 84.4289 TIMING: 4590800 CPU: 13630.9, 0.00292058/step Wall: 13630.9, 0.00292058/step, 0.331973 hours remaining, 209.457031 MB of memory in use. ENERGY: 4590800 734.5395 2049.0246 1933.2403 114.1267 -206101.4033 17620.6277 0.0000 0.0000 34346.0555 -149303.7890 299.9526 -183649.8445 -149203.2673 298.1258 -112.3884 -76.9930 558393.5599 2.5997 2.6020 PRESSURE: 4591000 -136.58 121.839 -166.763 121.84 -33.0224 107.957 -166.762 107.957 -60.1784 GPRESSURE: 4591000 -106.338 64.3689 -112.776 140.657 43.6872 96.9845 -266.681 63.3463 -75.3488 PRESSAVG: 4591000 -26.6947 60.51 4.83685 60.51 35.6819 30.561 4.8369 30.5611 -19.9419 GPRESSAVG: 4591000 -26.2515 60.479 3.60919 60.1548 36.685 29.3958 4.60991 30.7113 -21.3853 TIMING: 4591000 CPU: 13631.5, 0.00291996/step Wall: 13631.5, 0.00291996/step, 0.33174 hours remaining, 209.457031 MB of memory in use. ENERGY: 4591000 736.9648 2126.4815 1890.8284 117.1862 -206146.1864 17941.0645 0.0000 0.0000 34160.5315 -149173.1296 298.3324 -183333.6611 -149083.8908 299.0630 -76.5936 -45.9999 558392.2081 -3.6516 -3.6506 PRESSURE: 4591200 -4.07956 -84.9922 -187.855 -84.9928 23.9018 -167.838 -187.856 -167.838 97.5917 GPRESSURE: 4591200 27.7095 -162.017 -210.58 -86.5132 50.6418 -131.671 -192.768 -136.787 128.256 PRESSAVG: 4591200 79.066 -17.1521 -37.9253 -17.152 -23.205 27.0091 -37.9254 27.009 -52.9469 GPRESSAVG: 4591200 78.7497 -16.5292 -37.3865 -20.6777 -23.2829 25.2497 -37.8446 27.3513 -52.6511 TIMING: 4591200 CPU: 13632.1, 0.002905/step Wall: 13632.1, 0.002905/step, 0.329879 hours remaining, 209.457031 MB of memory in use. ENERGY: 4591200 748.9647 2134.0148 1900.5367 112.4828 -206100.8994 17697.9544 0.0000 0.0000 34367.5844 -149139.3616 300.1407 -183506.9459 -149047.6590 299.0927 39.1380 68.8692 557703.0460 0.9714 0.9386 PRESSURE: 4591400 -279.711 115.737 -78.7367 115.739 -118.196 -121.1 -78.7364 -121.101 -385.25 GPRESSURE: 4591400 -236.157 -26.1937 -116.423 137.728 -118.733 2.67813 -139.18 -177.261 -326.929 PRESSAVG: 4591400 31.1615 -22.9752 -51.2616 -22.9752 15.6184 -9.1657 -51.2616 -9.1657 -2.97681 GPRESSAVG: 4591400 31.573 -23.0701 -52.0943 -19.5529 14.9993 -7.44228 -49.8063 -10.0629 -3.32586 TIMING: 4591400 CPU: 13632.7, 0.00294703/step Wall: 13632.7, 0.00294703/step, 0.334488 hours remaining, 209.457031 MB of memory in use. ENERGY: 4591400 801.9394 2039.6388 1943.4562 108.1559 -205895.7162 17520.3290 0.0000 0.0000 34308.5424 -149173.6544 299.6250 -183482.1968 -149070.9036 299.6892 -261.0526 -227.2732 556622.9332 14.6010 14.4155 PRESSURE: 4591600 -219.653 -0.274747 167.58 -0.274728 26.8565 45.7788 167.58 45.7814 -187.578 GPRESSURE: 4591600 -135.847 -4.02804 157.918 -28.2158 -2.66805 26.4618 106.307 127.914 -143.219 PRESSAVG: 4591600 4.41287 39.3146 9.0424 39.3147 57.588 -22.4424 9.0425 -22.4422 -12.8311 GPRESSAVG: 4591600 5.11385 40.4464 7.85168 37.8526 57.3471 -22.836 8.63401 -24.0995 -13.5241 TIMING: 4591600 CPU: 13633.3, 0.00293349/step Wall: 13633.3, 0.00293349/step, 0.332788 hours remaining, 209.457031 MB of memory in use. ENERGY: 4591600 741.7798 2111.5002 1946.2782 125.2692 -205954.4385 17592.4901 0.0000 0.0000 34216.3538 -149220.7674 298.8199 -183437.1212 -149124.9975 298.8081 -126.7915 -93.9112 555328.0172 16.3899 16.3123 PRESSURE: 4591800 153.921 90.694 -37.9985 90.6933 181.356 -122.673 -37.9993 -122.673 96.5784 GPRESSURE: 4591800 206.629 11.6785 89.8924 126.931 221.364 -108.225 -32.2962 -137.888 74.8884 PRESSAVG: 4591800 -31.6026 31.3126 33.0361 31.3127 9.10949 -34.5698 33.0362 -34.5697 19.4169 GPRESSAVG: 4591800 -33.4971 30.0374 35.9183 32.6771 10.0159 -35.1946 32.2873 -34.0323 19.8381 TIMING: 4591800 CPU: 13633.9, 0.00295519/step Wall: 13633.9, 0.00295519/step, 0.335085 hours remaining, 209.457031 MB of memory in use. ENERGY: 4591800 759.0182 2106.4257 1928.1602 116.9076 -206446.2022 18094.9353 0.0000 0.0000 34145.1800 -149295.5752 298.1983 -183440.7552 -149199.3644 299.2130 143.9517 167.6273 557133.0901 -1.0254 -1.2144 PRESSURE: 4592000 44.7103 -52.824 48.9382 -52.8251 152.917 -13.1893 48.9367 -13.1908 40.4535 GPRESSURE: 4592000 129.24 -45.2544 75.916 -47.6786 113.881 124.6 20.4486 -29.9294 102.99 PRESSAVG: 4592000 -19.5944 28.827 21.8733 28.8269 -22.6177 -8.27805 21.8733 -8.27809 22.4677 GPRESSAVG: 4592000 -17.9002 29.552 21.6412 28.4798 -23.7753 -7.56032 21.4443 -7.24223 22.0999 TIMING: 4592000 CPU: 13634.4, 0.00294509/step Wall: 13634.4, 0.00294509/step, 0.333777 hours remaining, 209.457031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4592000 729.5218 2073.8250 1936.5722 141.2743 -206604.4069 18110.5244 0.0000 0.0000 34259.0192 -149353.6700 299.1925 -183612.6892 -149261.5861 299.8832 79.3604 115.3705 556866.7361 -6.5815 -6.5252 PRESSURE: 4592200 -21.7034 -83.9538 28.7744 -83.9538 33.4079 -188.07 28.7738 -188.07 78.4832 GPRESSURE: 4592200 18.4855 -20.0109 -16.8822 -66.7244 42.2049 -166.518 24.3175 -130.425 132.067 PRESSAVG: 4592200 65.4453 12.7252 61.3438 12.7253 -8.20394 -14.9592 61.3437 -14.9593 -20.6359 GPRESSAVG: 4592200 64.6336 12.4578 61.026 12.0817 -8.29797 -15.2286 62.7642 -13.3221 -20.1618 TIMING: 4592200 CPU: 13635, 0.0029244/step Wall: 13635, 0.0029244/step, 0.33127 hours remaining, 209.457031 MB of memory in use. ENERGY: 4592200 749.6811 2143.6477 1911.4285 118.5802 -206426.0377 17976.8113 0.0000 0.0000 34078.7723 -149447.1165 297.6184 -183525.8889 -149355.2544 298.6120 30.0626 64.2526 557764.3019 12.2018 12.0579 LDB: ============= START OF LOAD BALANCING ============== 13638.6 LDB: ============== END OF LOAD BALANCING =============== 13638.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13638.6 LDB: ============= START OF LOAD BALANCING ============== 13638.9 LDB: Largest compute 4802 load 0.022532 is 19.0% of average load 0.118311 LDB: Average compute 0.001735 is 1.5% of average load 0.118311 LDB: TIME 13638.9 LOAD: AVG 0.118311 MAX 0.194659 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.809 MB LDB: TIME 13638.9 LOAD: AVG 0.118311 MAX 0.194659 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.809 MB LDB: TIME 13638.9 LOAD: AVG 0.118311 MAX 0.194659 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.809 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13638.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13638.9 PRESSURE: 4592400 -138.128 58.9246 253.278 58.9237 90.133 51.4335 253.276 51.4331 61.9319 GPRESSURE: 4592400 -105.579 86.421 256.656 -33.7058 150.668 33.1091 256.351 27.8441 61.0404 PRESSAVG: 4592400 16.0053 -3.82581 -17.331 -3.82578 18.4513 -12.0116 -17.331 -12.0115 -10.3855 GPRESSAVG: 4592400 15.8718 -4.18333 -19.3803 -3.64828 19.5484 -11.4148 -16.4692 -13.2717 -11.45 TIMING: 4592400 CPU: 13635.6, 0.00296041/step Wall: 13635.6, 0.00296041/step, 0.335185 hours remaining, 209.382812 MB of memory in use. ENERGY: 4592400 748.4144 2108.5733 1940.3897 103.0824 -206696.9539 18147.6178 0.0000 0.0000 34219.6875 -149429.1889 298.8490 -183648.8764 -149334.8718 298.7738 4.6457 35.3764 558659.6535 8.0237 7.9901 PRESSURE: 4592600 -19.7079 74.1358 -52.1852 74.1369 -154.423 -40.9832 -52.1859 -40.9824 -36.3285 GPRESSURE: 4592600 42.1176 -5.90949 -88.1085 97.3523 -114.173 49.9362 -38.9875 29.8269 -51.2349 PRESSAVG: 4592600 1.07289 26.8172 14.6779 26.8173 -21.5073 -45.2571 14.6778 -45.2572 -21.5586 GPRESSAVG: 4592600 0.00530459 26.5128 18.3005 27.082 -21.1089 -47.3313 14.3781 -44.1765 -20.7697 TIMING: 4592600 CPU: 13636.2, 0.00292091/step Wall: 13636.2, 0.00292091/step, 0.330549 hours remaining, 209.382812 MB of memory in use. ENERGY: 4592600 754.7574 2087.3660 1920.0026 127.2554 -206110.3422 17715.6443 0.0000 0.0000 34253.1054 -149252.2109 299.1409 -183505.3163 -149158.8071 298.7388 -70.1533 -41.0969 558511.1618 -13.9977 -13.9578 PRESSURE: 4592800 -10.2891 18.7827 -33.8337 18.782 278.407 8.26013 -33.8336 8.25956 168.24 GPRESSURE: 4592800 -6.57656 8.5377 20.2444 -7.88011 307.358 22.965 -56.6059 75.7387 237.829 PRESSAVG: 4592800 -43.7526 15.7781 -27.8814 15.778 -35.8454 44.0013 -27.8814 44.0014 59.8459 GPRESSAVG: 4592800 -43.1757 15.8573 -28.7423 17.3153 -36.967 44.9697 -29.5799 41.814 60.2616 TIMING: 4592800 CPU: 13636.8, 0.00292505/step Wall: 13636.8, 0.00292505/step, 0.330856 hours remaining, 209.382812 MB of memory in use. ENERGY: 4592800 775.2211 2086.8964 1908.5482 115.5397 -206725.2724 18245.5120 0.0000 0.0000 34502.4625 -149091.0924 301.3186 -183593.5550 -148995.7667 299.9278 145.4526 179.5369 556644.6299 -6.5840 -6.6271 PRESSURE: 4593000 -307.585 4.52968 -9.69961 4.53026 -107.046 96.8404 -9.7008 96.8409 -130.006 GPRESSURE: 4593000 -215.576 51.5209 70.9777 -30.6287 -148.221 97.2347 -78.2316 117.056 -94.6979 PRESSAVG: 4593000 -63.0223 -16.6879 31.8831 -16.6879 69.9261 59.901 31.8831 59.9009 4.4041 GPRESSAVG: 4593000 -63.196 -16.1737 33.5011 -17.3231 70.1166 61.012 32.1947 60.5354 4.43189 TIMING: 4593000 CPU: 13637.4, 0.00293384/step Wall: 13637.4, 0.00293384/step, 0.331687 hours remaining, 209.382812 MB of memory in use. ENERGY: 4593000 746.9682 2082.8407 1923.8319 116.6405 -205789.6007 17486.4119 0.0000 0.0000 34290.9443 -149141.9631 299.4713 -183432.9074 -149047.9165 299.6655 -181.5455 -152.8317 558123.6720 3.7693 3.7842 PRESSURE: 4593200 339.315 -50.7552 3.87147 -50.7529 1.20078 86.0387 3.86995 86.0391 308.344 GPRESSURE: 4593200 340.496 -35.6062 -2.28321 -48.2833 80.3548 -21.6222 -43.6177 150.765 316.031 PRESSAVG: 4593200 -50.2788 -62.2838 -40.773 -62.2838 9.03821 2.92707 -40.773 2.92714 15.234 GPRESSAVG: 4593200 -51.2356 -63.0095 -41.2984 -63.8104 10.3709 0.381038 -41.4203 1.10406 14.8069 TIMING: 4593200 CPU: 13638, 0.00294018/step Wall: 13638, 0.00294018/step, 0.33224 hours remaining, 209.382812 MB of memory in use. ENERGY: 4593200 748.1143 2088.5515 1922.5344 110.8420 -206217.9764 17966.6147 0.0000 0.0000 34189.4147 -149191.9047 298.5847 -183381.3194 -149097.9452 299.5305 216.2868 245.6274 555269.2342 -8.6689 -8.6859 PRESSURE: 4593400 37.1895 110.074 -187.876 110.074 -127.531 16.8131 -187.875 16.8111 246.372 GPRESSURE: 4593400 65.2454 48.4 -291.427 144.459 -91.0033 -30.5383 -123.773 6.52239 257.753 PRESSAVG: 4593400 0.199279 19.1783 -40.3132 19.1782 -3.95781 44.6058 -40.3132 44.6058 10.8087 GPRESSAVG: 4593400 0.855437 20.7992 -40.5811 21.8874 -4.67841 45.647 -40.326 45.05 10.5979 TIMING: 4593400 CPU: 13638.5, 0.00292785/step Wall: 13638.5, 0.00292785/step, 0.330684 hours remaining, 209.382812 MB of memory in use. ENERGY: 4593400 735.2859 2158.6701 1915.0224 126.2021 -206213.5061 17674.7684 0.0000 0.0000 34471.0813 -149132.4758 301.0445 -183603.5571 -149041.7214 299.4063 52.0104 77.3319 555385.4509 2.3500 2.2583 PRESSURE: 4593600 -92.0443 -37.7769 -29.1119 -37.7779 -225.591 -79.9347 -29.1125 -79.9363 135.631 GPRESSURE: 4593600 -86.1152 -80.3663 -46.5207 -10.824 -183.864 -114.958 -2.33217 -47.7401 171.177 PRESSAVG: 4593600 14.1906 -16.4104 -14.3453 -16.4103 -6.57455 14.2446 -14.3454 14.2446 49.0682 GPRESSAVG: 4593600 13.4854 -17.7113 -15.6462 -17.1698 -7.38796 13.9276 -14.1514 15.1818 50.1041 TIMING: 4593600 CPU: 13639.1, 0.00294776/step Wall: 13639.1, 0.00294776/step, 0.332769 hours remaining, 209.382812 MB of memory in use. ENERGY: 4593600 765.9120 2104.6860 1950.9226 124.5375 -206349.8658 17885.7847 0.0000 0.0000 34393.7823 -149124.2406 300.3695 -183518.0229 -149032.2323 300.8948 -60.6682 -32.9341 557993.9751 18.8947 18.7339 PRESSURE: 4593800 -135.987 27.4711 -71.2077 27.4699 43.2939 142.502 -71.2091 142.502 31.5624 GPRESSURE: 4593800 -101.027 -3.40894 -43.6409 58.4568 122.346 115.606 -90.0982 96.3859 21.6434 PRESSAVG: 4593800 -52.9333 9.38451 -27.8684 9.38456 2.78508 6.03648 -27.8684 6.03649 1.15524 GPRESSAVG: 4593800 -51.8486 10.4815 -27.5805 9.31057 3.24797 5.43958 -27.7667 5.67966 0.0633411 TIMING: 4593800 CPU: 13639.7, 0.00295872/step Wall: 13639.7, 0.00295872/step, 0.333843 hours remaining, 209.382812 MB of memory in use. ENERGY: 4593800 743.7265 2131.5519 1926.1232 114.5923 -206211.7688 17792.3733 0.0000 0.0000 34178.6793 -149324.7224 298.4909 -183503.4017 -149222.6325 299.4459 -20.3771 14.3208 558216.7144 -16.3310 -16.1791 PRESSURE: 4594000 -88.9269 62.4276 -108.255 62.4283 330.723 -123.568 -108.254 -123.57 12.0007 GPRESSURE: 4594000 -32.5893 -27.8858 -154.843 177.697 364.924 -85.3771 -188.091 -117.741 12.4077 PRESSAVG: 4594000 -22.478 -44.8156 26.3968 -44.8155 -1.05003 -4.2347 26.3969 -4.23469 35.3107 GPRESSAVG: 4594000 -23.6237 -45.5253 25.2705 -45.1556 0.0173348 -3.71793 24.1844 -2.66713 35.6668 TIMING: 4594000 CPU: 13640.3, 0.00294512/step Wall: 13640.3, 0.00294512/step, 0.332144 hours remaining, 209.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4594000 756.3577 2184.1865 1918.6793 105.6197 -206479.5310 17997.8456 0.0000 0.0000 34151.2542 -149365.5879 298.2514 -183516.8421 -149275.5412 298.6796 84.5991 114.9142 558208.6724 3.9275 4.0201 PRESSURE: 4594200 118.483 -224.117 -77.8479 -224.118 -38.2425 -182.421 -77.8469 -182.42 -79.8144 GPRESSURE: 4594200 160.393 -216.509 -104.221 -211.019 -16.9716 -171.228 10.3813 -248.608 -50.8727 PRESSAVG: 4594200 19.3704 -77.75 16.4859 -77.7501 34.7536 -75.11 16.4859 -75.1101 -50.7455 GPRESSAVG: 4594200 19.6867 -77.1899 17.3677 -77.8682 33.6118 -74.8654 19.585 -76.0663 -50.2083 TIMING: 4594200 CPU: 13640.9, 0.00298041/step Wall: 13640.9, 0.00298041/step, 0.335958 hours remaining, 209.382812 MB of memory in use. ENERGY: 4594200 776.9732 2144.8630 1940.5507 115.3592 -206521.8464 17849.4209 0.0000 0.0000 34291.9041 -149402.7753 299.4797 -183694.6794 -149309.3113 299.4019 0.1420 30.8496 557339.1821 1.1262 1.0301 PRESSURE: 4594400 -209.636 72.346 -67.5267 72.3458 -234.84 -4.25736 -67.5257 -4.25789 -5.32353 GPRESSURE: 4594400 -165.513 145.903 -55.2668 8.01899 -191.289 46.9329 -51.4255 -53.966 -0.203006 PRESSAVG: 4594400 58.9019 -81.0996 -0.769458 -81.0996 33.992 -52.4497 -0.769492 -52.4497 -39.9758 GPRESSAVG: 4594400 58.8282 -84.0764 -1.32658 -79.8859 34.8786 -50.5952 -3.51534 -52.9377 -40.5784 TIMING: 4594400 CPU: 13641.5, 0.00296916/step Wall: 13641.5, 0.00296916/step, 0.334525 hours remaining, 209.382812 MB of memory in use. ENERGY: 4594400 741.6847 2138.0945 1901.6339 122.0944 -206095.3852 17566.0901 0.0000 0.0000 34112.9619 -149512.8257 297.9170 -183625.7876 -149409.8365 298.8957 -149.9330 -119.0017 557000.6076 17.6394 17.7095 PRESSURE: 4594600 187.817 -12.3834 88.2679 -12.3833 -120.929 -36.6494 88.2685 -36.6496 -110.109 GPRESSURE: 4594600 220.829 -6.98599 82.43 -52.1421 -141.577 -13.1533 152.972 -111.469 -19.1847 PRESSAVG: 4594600 -0.507556 -52.4694 -22.9695 -52.4693 2.67718 -0.473946 -22.9695 -0.473983 65.1771 GPRESSAVG: 4594600 0.791174 -51.7142 -21.9039 -54.1845 0.175497 -3.71464 -20.8219 -0.817899 65.6407 TIMING: 4594600 CPU: 13642.1, 0.0029715/step Wall: 13642.1, 0.0029715/step, 0.334624 hours remaining, 209.382812 MB of memory in use. ENERGY: 4594600 774.4831 2175.1995 1932.0984 107.2277 -206441.8102 17917.2825 0.0000 0.0000 34023.0080 -149512.5110 297.1314 -183535.5189 -149421.6866 298.9809 -14.4071 20.0224 557034.2989 22.4489 22.2025 PRESSURE: 4594800 15.9203 -40.6432 96.8091 -40.6455 21.7392 -219.909 96.8095 -219.909 197.476 GPRESSURE: 4594800 60.7207 -16.3699 21.442 -108.426 79.2932 -176.933 155.691 -198.635 189.282 PRESSAVG: 4594800 24.7454 2.93796 19.6737 2.93792 -45.0793 -22.0395 19.6736 -22.0395 -22.2631 GPRESSAVG: 4594800 23.8031 2.00921 19.108 4.68523 -43.2312 -20.2092 20.601 -20.9193 -23.3688 TIMING: 4594800 CPU: 13642.7, 0.00294396/step Wall: 13642.7, 0.00294396/step, 0.331359 hours remaining, 209.382812 MB of memory in use. ENERGY: 4594800 735.7402 2104.3251 1936.6090 108.4798 -206328.6950 17923.7885 0.0000 0.0000 34117.0004 -149402.7520 297.9522 -183519.7524 -149310.3630 299.0176 78.3784 109.7652 556710.1110 -14.1990 -14.2656 PRESSURE: 4595000 -2.9408 84.7524 52.7618 84.7537 36.8061 -35.2906 52.7606 -35.2906 161.927 GPRESSURE: 4595000 -6.01348 126.759 6.83798 84.7105 96.4945 -59.0298 132.996 38.4022 215.134 PRESSAVG: 4595000 51.708 22.6802 -49.4603 22.6802 -2.80345 -8.998 -49.4603 -8.99804 -1.18089 GPRESSAVG: 4595000 51.2727 24.0616 -48.9366 20.1114 -3.35696 -11.2726 -52.0992 -8.01958 0.471742 TIMING: 4595000 CPU: 13643.3, 0.00294191/step Wall: 13643.3, 0.00294191/step, 0.330965 hours remaining, 209.382812 MB of memory in use. ENERGY: 4595000 731.8223 2140.7893 1943.0971 118.8954 -206463.5476 17702.4823 0.0000 0.0000 34325.3465 -149501.1145 299.7718 -183826.4611 -149413.1085 299.5576 65.2639 101.8716 554656.2343 15.9079 16.1292 PRESSURE: 4595200 -247.242 148.186 97.6274 148.186 -373.51 76.3687 97.6252 76.3686 -295.434 GPRESSURE: 4595200 -188.032 128.876 18.9655 236.542 -318.468 144.946 110.883 55.9829 -306.077 PRESSAVG: 4595200 52.9184 -3.8715 -23.4405 -3.87139 -87.7973 35.0882 -23.4405 35.0882 29.7472 GPRESSAVG: 4595200 53.8708 -2.45858 -23.8097 -3.36371 -87.2143 38.935 -22.847 32.9382 27.9825 TIMING: 4595200 CPU: 13643.9, 0.00293951/step Wall: 13643.9, 0.00293951/step, 0.330532 hours remaining, 209.382812 MB of memory in use. ENERGY: 4595200 773.0496 2161.9083 1957.2119 121.1394 -206139.0761 17501.1753 0.0000 0.0000 34196.8323 -149427.7593 298.6494 -183624.5915 -149334.2660 299.3138 -305.3955 -270.8586 555741.9650 -1.7106 -1.7870 PRESSURE: 4595400 -107.275 39.6767 -109.692 39.6761 174.843 -31.5375 -109.692 -31.5379 123.681 GPRESSURE: 4595400 -70.5361 70.8279 -118.303 77.3275 205.3 -15.1714 -82.6964 -45.8072 159.77 PRESSAVG: 4595400 -1.06979 15.9107 29.9289 15.9108 -30.4489 -8.87491 29.9289 -8.87506 46.5756 GPRESSAVG: 4595400 -2.76193 15.6171 30.5806 15.3895 -28.7364 -8.58567 29.9218 -7.24612 46.7819 TIMING: 4595400 CPU: 13644.5, 0.00295344/step Wall: 13644.5, 0.00295344/step, 0.331934 hours remaining, 209.382812 MB of memory in use. ENERGY: 4595400 703.5020 2182.7120 1938.4237 135.0271 -206467.0725 17830.4411 0.0000 0.0000 34303.3184 -149373.6482 299.5794 -183676.9666 -149278.2744 299.5690 63.7497 98.1780 555697.9355 5.0190 5.0945 PRESSURE: 4595600 -58.5023 43.2618 22.77 43.2647 -270.076 105.754 22.7696 105.755 -75.4005 GPRESSURE: 4595600 -28.7413 120.062 -16.0498 -7.06311 -263.625 97.346 57.4049 171.806 -28.6697 PRESSAVG: 4595600 34.2286 -15.2813 -54.3618 -15.2813 9.48837 -11.8777 -54.3618 -11.8778 -46.0741 GPRESSAVG: 4595600 34.0661 -15.6223 -53.7976 -14.9647 9.10757 -12.6894 -53.8969 -13.2126 -45.401 TIMING: 4595600 CPU: 13645, 0.00294901/step Wall: 13645, 0.00294901/step, 0.331273 hours remaining, 209.382812 MB of memory in use. ENERGY: 4595600 759.3660 2060.4429 1943.9394 98.6591 -206059.7310 17575.4611 0.0000 0.0000 34331.7914 -149290.0711 299.8281 -183621.8625 -149194.7433 299.6864 -134.6597 -107.0121 557042.3478 -0.7857 -0.7425 PRESSURE: 4595800 -209.005 108.738 -18.9514 108.739 -93.2169 25.1077 -18.9516 25.1069 -171.516 GPRESSURE: 4595800 -177.191 89.8125 -2.28446 183.234 -10.8117 40.2762 -57.0874 32.4208 -188.82 PRESSAVG: 4595800 65.8403 14.3544 16.7906 14.3544 -9.46407 -45.9054 16.7906 -45.9054 -55.6434 GPRESSAVG: 4595800 65.7209 12.966 16.0252 15.9643 -9.00557 -46.5695 17.7931 -43.0892 -55.7294 TIMING: 4595800 CPU: 13645.6, 0.00297904/step Wall: 13645.6, 0.00297904/step, 0.33448 hours remaining, 209.382812 MB of memory in use. ENERGY: 4595800 759.1525 2109.0316 1918.9960 108.1728 -205973.8212 17480.3842 0.0000 0.0000 34355.4897 -149242.5944 300.0350 -183598.0841 -149146.9596 299.6662 -157.9128 -125.6074 557402.4588 0.2443 0.3286 PRESSURE: 4596000 168.037 -74.7701 -131.38 -74.7716 390.968 107.924 -131.381 107.924 -145.781 GPRESSURE: 4596000 193.762 -91.524 -98.7919 -109.771 410.387 93.3516 -111.123 40.4196 -100.915 PRESSAVG: 4596000 11.2226 -3.41548 5.14543 -3.41544 45.9142 -3.39084 5.14541 -3.39075 -52.5424 GPRESSAVG: 4596000 12.1079 -2.63065 6.81826 -3.69816 45.1931 -3.76129 2.86905 -3.97605 -53.4098 TIMING: 4596000 CPU: 13646.2, 0.00295583/step Wall: 13646.2, 0.00295583/step, 0.331709 hours remaining, 209.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4596000 724.5983 2098.7396 1953.6774 124.4516 -206431.5263 17953.5907 0.0000 0.0000 34093.8048 -149482.6638 297.7497 -183576.4686 -149385.0325 299.3026 137.7416 167.7446 557779.0423 1.5315 1.2971 PRESSURE: 4596200 104.886 217.565 105.504 217.564 149.665 29.3342 105.503 29.3344 107.567 GPRESSURE: 4596200 92.5935 262.532 45.6862 167.112 184.233 72.8566 161.798 12.61 189.211 PRESSAVG: 4596200 -29.7134 15.4662 29.6934 15.4662 119.469 -18.6431 29.6934 -18.643 -55.8472 GPRESSAVG: 4596200 -30.1984 13.5921 26.1577 16.3579 118.977 -16.9481 32.9712 -20.9515 -54.94 TIMING: 4596200 CPU: 13646.8, 0.0029361/step Wall: 13646.8, 0.0029361/step, 0.329333 hours remaining, 209.382812 MB of memory in use. ENERGY: 4596200 770.8295 2008.6841 1949.3316 117.5426 -206617.9527 18188.8182 0.0000 0.0000 33968.5262 -149614.2205 296.6556 -183582.7467 -149521.4545 298.5616 120.7060 155.3456 557361.1744 11.3029 11.2796 LDB: ============= START OF LOAD BALANCING ============== 13650.4 LDB: ============== END OF LOAD BALANCING =============== 13650.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13650.4 LDB: ============= START OF LOAD BALANCING ============== 13650.7 LDB: Largest compute 4802 load 0.021925 is 18.5% of average load 0.118282 LDB: Average compute 0.001738 is 1.5% of average load 0.118282 LDB: TIME 13650.7 LOAD: AVG 0.118282 MAX 0.196949 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.348 MB LDB: TIME 13650.7 LOAD: AVG 0.118282 MAX 0.196949 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.348 MB LDB: TIME 13650.7 LOAD: AVG 0.118282 MAX 0.196949 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.348 MB LDB: ============== END OF LOAD BALANCING =============== 13650.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13650.7 PRESSURE: 4596400 192.73 -77.3067 -153.247 -77.307 404.15 -66.5767 -153.248 -66.5765 53.2094 GPRESSURE: 4596400 189.935 -22.5415 -85.883 -92.6319 449.069 -70.0936 -165.879 -66.9982 101.084 PRESSAVG: 4596400 -3.60644 18.6502 24.9509 18.6502 48.2847 -30.7088 24.9509 -30.7087 -17.5201 GPRESSAVG: 4596400 -4.7071 18.2268 22.8407 17.8021 49.7449 -33.1415 26.8304 -28.957 -17.4328 TIMING: 4596400 CPU: 13647.4, 0.00300713/step Wall: 13647.4, 0.00300713/step, 0.337133 hours remaining, 209.636719 MB of memory in use. ENERGY: 4596400 726.9701 2084.3568 1924.1998 99.3637 -207151.6173 18373.9239 0.0000 0.0000 34318.0710 -149624.7319 299.7082 -183942.8029 -149532.5191 297.7446 216.6964 246.6961 557155.5064 9.0527 9.2016 PRESSURE: 4596600 -194.337 180.684 63.1416 180.684 -116.413 18.3346 63.144 18.3345 92.6485 GPRESSURE: 4596600 -117.28 228.99 157.924 233.883 -114.615 39.9732 -72.036 -44.6705 120.644 PRESSAVG: 4596600 26.1483 36.881 -53.6346 36.881 20.6486 -52.0388 -53.6345 -52.0387 -25.243 GPRESSAVG: 4596600 27.1726 37.9985 -47.1929 38.1263 20.1634 -50.1628 -59.6142 -50.9005 -25.3672 TIMING: 4596600 CPU: 13648, 0.00293317/step Wall: 13648, 0.00293317/step, 0.328678 hours remaining, 209.703125 MB of memory in use. ENERGY: 4596600 771.5777 2109.6703 1897.1006 114.0436 -206783.4076 18032.9318 0.0000 0.0000 34216.2668 -149641.8169 298.8192 -183858.0837 -149546.0834 298.3891 -72.7005 -37.0835 557301.0225 7.1846 7.3229 PRESSURE: 4596800 65.5059 64.8783 -22.3221 64.8794 -114.644 -194.942 -22.3227 -194.943 70.8422 GPRESSURE: 4596800 71.5095 1.34359 -62.4327 90.4818 -29.7037 -148.194 3.31086 -210.365 90.6102 PRESSAVG: 4596800 74.3203 14.4499 -26.0868 14.4498 -33.5364 4.27731 -26.0869 4.27727 -54.5478 GPRESSAVG: 4596800 74.4053 13.4118 -26.7059 15.9253 -33.8353 4.33354 -24.2143 3.69127 -54.5029 TIMING: 4596800 CPU: 13648.6, 0.0029208/step Wall: 13648.6, 0.0029208/step, 0.32713 hours remaining, 209.703125 MB of memory in use. ENERGY: 4596800 779.8067 2031.2726 1931.9773 103.5539 -206820.5105 18033.7293 0.0000 0.0000 34320.7793 -149619.3914 299.7319 -183940.1707 -149517.7840 298.2948 7.2348 44.1387 555430.2548 -4.5880 -4.6443 PRESSURE: 4597000 170.894 -1.32276 -48.4927 -1.32279 -96.7017 -206.023 -48.4936 -206.025 33.4348 GPRESSURE: 4597000 184.738 6.20841 -68.8334 35.5605 15.4309 -218.565 -43.5153 -255.277 18.8969 PRESSAVG: 4597000 26.2077 13.6238 -34.3433 13.6238 40.8101 -11.2382 -34.3432 -11.2383 -11.7952 GPRESSAVG: 4597000 26.1491 14.2774 -37.0141 11.3412 40.8336 -10.8882 -33.3588 -14.036 -11.261 TIMING: 4597000 CPU: 13649.2, 0.00294238/step Wall: 13649.2, 0.00294238/step, 0.329383 hours remaining, 209.703125 MB of memory in use. ENERGY: 4597000 773.9162 2016.4774 1936.6474 98.8318 -206544.8318 17912.5206 0.0000 0.0000 34306.9150 -149499.5234 299.6108 -183806.4385 -149404.5365 298.8957 35.8757 73.0219 556089.5202 18.4075 18.5739 PRESSURE: 4597200 59.2093 -42.085 -32.7313 -42.0863 358.202 -1.83535 -32.7321 -1.83543 260.06 GPRESSURE: 4597200 131.549 -77.1854 -126.92 108.817 358.365 5.76075 8.54273 6.31207 279.276 PRESSAVG: 4597200 -13.6643 34.343 -6.08964 34.343 -16.0472 -36.6936 -6.08962 -36.6935 27.1001 GPRESSAVG: 4597200 -14.2732 35.4418 -6.21581 34.631 -15.3559 -39.6638 -3.87308 -33.9373 27.1701 TIMING: 4597200 CPU: 13649.8, 0.00292729/step Wall: 13649.8, 0.00292729/step, 0.327531 hours remaining, 209.703125 MB of memory in use. ENERGY: 4597200 744.5654 2011.4095 1939.1817 112.3503 -206735.6392 18216.2015 0.0000 0.0000 34233.1861 -149478.7447 298.9669 -183711.9308 -149378.9027 298.6504 225.8237 256.3966 555986.8069 -0.8705 -0.8197 PRESSURE: 4597400 -158.159 -17.4579 163.741 -17.4576 -296.118 -36.4104 163.74 -36.4109 168.823 GPRESSURE: 4597400 -58.6081 -57.092 116.39 -2.53058 -262.471 -40.9602 237.661 -55.5284 134.153 PRESSAVG: 4597400 13.0877 46.595 16.8265 46.5949 -32.0088 -78.7043 16.8265 -78.7043 51.5259 GPRESSAVG: 4597400 13.8484 45.3946 15.9304 45.1348 -30.8174 -76.595 15.3533 -80.9721 50.0019 TIMING: 4597400 CPU: 13650.4, 0.00292294/step Wall: 13650.4, 0.00292294/step, 0.326883 hours remaining, 209.703125 MB of memory in use. ENERGY: 4597400 760.0759 2063.2395 1953.0588 91.0959 -206162.6013 17575.3859 0.0000 0.0000 34335.0230 -149384.7223 299.8563 -183719.7452 -149292.2787 299.4624 -95.1512 -62.3087 557223.5511 10.8683 11.0110 PRESSURE: 4597600 -223.3 56.5021 -119.847 56.5016 -277.882 -10.8619 -119.849 -10.8623 -142.217 GPRESSURE: 4597600 -218.552 111.405 -186.789 92.3663 -214.713 -78.1608 -20.7214 -41.6789 -102.463 PRESSAVG: 4597600 41.9167 15.7438 37.8141 15.7438 -49.5067 -53.9538 37.8141 -53.9539 -36.3788 GPRESSAVG: 4597600 42.0791 17.5689 38.8001 13.5392 -49.872 -55.1177 38.481 -51.9343 -36.2348 TIMING: 4597600 CPU: 13650.9, 0.00293369/step Wall: 13650.9, 0.00293369/step, 0.327922 hours remaining, 209.703125 MB of memory in use. ENERGY: 4597600 809.1726 2072.6106 1923.9328 115.0299 -206088.6407 17443.4473 0.0000 0.0000 34380.1551 -149344.2922 300.2504 -183724.4474 -149242.6626 299.2248 -214.4664 -178.5757 556918.7648 -14.6563 -14.6759 PRESSURE: 4597800 -8.44479 37.7023 88.4701 37.7021 134.218 -19.4593 88.4703 -19.4589 -19.9639 GPRESSURE: 4597800 50.8616 84.983 110.26 44.1002 123.662 -35.2274 -5.56843 -76.7191 20.6272 PRESSAVG: 4597800 -62.1225 79.573 28.4538 79.573 -8.98575 13.0854 28.4537 13.0853 74.0883 GPRESSAVG: 4597800 -61.4587 77.5135 27.5587 81.3024 -10.0588 15.2509 28.7163 12.5554 74.2992 TIMING: 4597800 CPU: 13651.5, 0.00294219/step Wall: 13651.5, 0.00294219/step, 0.328708 hours remaining, 209.703125 MB of memory in use. ENERGY: 4597800 753.0087 2060.1890 1973.5695 109.8661 -205861.4289 17613.8915 0.0000 0.0000 34184.4237 -149166.4804 298.5411 -183350.9041 -149063.6781 299.6549 35.2698 65.0502 555216.9360 0.9933 0.9272 PRESSURE: 4598000 -101.782 -196.484 -26.5233 -196.484 104.329 21.0682 -26.5242 21.0681 -5.40244 GPRESSURE: 4598000 -14.2906 -161.109 21.3177 -184.023 140.592 -30.1918 -94.8714 29.445 -26.96 PRESSAVG: 4598000 -58.515 -2.6824 52.9436 -2.68236 45.8104 -6.71166 52.9437 -6.71171 32.5294 GPRESSAVG: 4598000 -59.0059 -2.48518 54.6385 -1.66155 45.9035 -9.28666 50.4017 -4.85217 32.8662 TIMING: 4598000 CPU: 13652.1, 0.00293251/step Wall: 13652.1, 0.00293251/step, 0.327464 hours remaining, 209.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4598000 712.6167 2100.6007 1938.3910 105.6119 -205754.0275 17577.2611 0.0000 0.0000 34263.5412 -149056.0050 299.2320 -183319.5462 -148955.8466 299.2375 -0.9519 33.1138 557480.0599 6.6083 6.5879 PRESSURE: 4598200 -172.71 -31.1832 12.4467 -31.1823 -129.268 21.2899 12.4459 21.2901 131.802 GPRESSURE: 4598200 -175.885 8.89473 3.62829 -52.4 -76.3715 70.8628 0.197142 43.7222 175.825 PRESSAVG: 4598200 35.8532 -50.4695 -11.972 -50.4694 -57.0231 61.923 -11.972 61.9231 27.497 GPRESSAVG: 4598200 35.4442 -49.5408 -12.7491 -51.6704 -56.1298 64.1052 -9.56992 59.516 27.119 TIMING: 4598200 CPU: 13652.7, 0.00292753/step Wall: 13652.7, 0.00292753/step, 0.326745 hours remaining, 209.703125 MB of memory in use. ENERGY: 4598200 728.1078 2109.0714 1954.2944 113.5033 -206025.0210 17666.5821 0.0000 0.0000 34313.4066 -149140.0554 299.6675 -183453.4620 -149040.9439 299.4768 -56.7252 -25.4774 557439.9082 2.1091 2.1445 PRESSURE: 4598400 49.9828 102.386 39.4459 102.384 30.1988 -14.9257 39.4464 -14.9245 95.0931 GPRESSURE: 4598400 89.6885 114.304 -17.5729 24.674 90.8143 -55.2491 1.20493 -12.4942 79.3027 PRESSAVG: 4598400 -55.497 -2.53415 -45.3382 -2.53411 33.2581 4.5231 -45.3382 4.5231 30.3727 GPRESSAVG: 4598400 -54.0929 -3.00424 -46.2613 -2.75529 31.5027 2.79561 -45.9771 5.118 30.6151 TIMING: 4598400 CPU: 13653.3, 0.00293158/step Wall: 13653.3, 0.00293158/step, 0.327034 hours remaining, 209.703125 MB of memory in use. ENERGY: 4598400 732.9311 2114.1287 1933.8048 124.5176 -205920.5937 17713.7032 0.0000 0.0000 34218.2245 -149083.2836 298.8363 -183301.5082 -148986.0425 299.5575 58.4249 86.6018 558571.3661 2.7113 2.6749 PRESSURE: 4598600 -19.3522 -113.616 41.0681 -113.617 -117.526 -9.1362 41.0686 -9.13471 57.1053 GPRESSURE: 4598600 -13.1954 -149.951 -89.8553 -113.512 -28.2855 -73.407 82.2076 -13.0705 63.6957 PRESSAVG: 4598600 -28.439 -51.4576 -10.7657 -51.4576 7.9656 18.9752 -10.7657 18.9752 28.6238 GPRESSAVG: 4598600 -29.497 -51.4296 -10.7826 -51.5454 10.2446 19.3711 -10.8847 21.3725 27.6322 TIMING: 4598600 CPU: 13653.9, 0.00291578/step Wall: 13653.9, 0.00291578/step, 0.32511 hours remaining, 209.703125 MB of memory in use. ENERGY: 4598600 735.9582 2071.0987 1922.9326 105.5065 -205915.1734 17673.0699 0.0000 0.0000 34279.3937 -149127.2138 299.3705 -183406.6075 -149031.3345 299.5710 -26.5908 7.4049 557238.9455 2.7168 2.7933 PRESSURE: 4598800 -61.6546 55.2984 34.6691 55.2983 -204.819 66.2859 34.6698 66.2855 -325.416 GPRESSURE: 4598800 -48.7561 69.3254 90.1063 65.0884 -171.585 101.702 9.75782 1.85025 -269.657 PRESSAVG: 4598800 61.6997 5.77152 36.5831 5.77163 -68.6486 1.65729 36.5831 1.65733 -4.35378 GPRESSAVG: 4598800 61.9739 6.18219 36.1222 6.14677 -69.677 0.66509 37.8294 -1.11622 -3.27923 TIMING: 4598800 CPU: 13654.5, 0.00292469/step Wall: 13654.5, 0.00292469/step, 0.32594 hours remaining, 209.703125 MB of memory in use. ENERGY: 4598800 760.4221 2133.6563 1932.5613 98.9112 -205738.3309 17445.9570 0.0000 0.0000 34477.8059 -148889.0170 301.1033 -183366.8229 -148800.4450 299.6209 -197.2963 -163.3327 559081.8252 -3.7676 -3.6607 PRESSURE: 4599000 -41.2807 29.3988 55.0169 29.3991 62.9798 -21.1388 55.0176 -21.1404 307.551 GPRESSURE: 4599000 2.40379 86.1261 71.1265 15.6926 81.1432 -44.5783 20.8844 -18.3907 353.466 PRESSAVG: 4599000 3.99055 10.3133 -4.04926 10.3133 6.83834 62.9526 -4.04919 62.9527 3.869 GPRESSAVG: 4599000 4.54343 10.3055 -3.07812 12.0952 6.05371 63.9129 -6.82868 64.4535 4.47332 TIMING: 4599000 CPU: 13655, 0.00293991/step Wall: 13655, 0.00293991/step, 0.327473 hours remaining, 209.703125 MB of memory in use. ENERGY: 4599000 745.6919 2089.2062 1951.6875 116.2540 -206489.5316 18033.4574 0.0000 0.0000 34602.8777 -148950.3569 302.1955 -183553.2346 -148849.6317 299.8044 109.7501 145.6710 557469.3096 4.8993 5.0235 PRESSURE: 4599200 99.5823 -114.858 -122.895 -114.856 30.6575 54.9095 -122.896 54.9099 64.2407 GPRESSURE: 4599200 183.296 -172.96 -159.263 -103.125 66.9522 -32.9365 -99.46 77.8606 48.4879 PRESSAVG: 4599200 -16.652 19.6884 14.4037 19.6885 9.76731 21.7331 14.4037 21.7331 18.7754 GPRESSAVG: 4599200 -17.6279 19.7173 16.5464 15.7335 10.3397 22.9577 13.831 18.8784 19.352 TIMING: 4599200 CPU: 13655.6, 0.00295573/step Wall: 13655.6, 0.00295573/step, 0.329072 hours remaining, 209.703125 MB of memory in use. ENERGY: 4599200 794.1779 2080.3200 1930.0363 119.9381 -206445.3922 18022.2013 0.0000 0.0000 34432.3011 -149066.4174 300.7058 -183498.7185 -148975.4573 300.5626 64.8268 99.5788 556168.0726 3.9636 4.0213 PRESSURE: 4599400 -415.8 -35.1381 -82.6299 -35.1375 -290.97 -164.215 -82.6305 -164.216 85.9302 GPRESSURE: 4599400 -376.132 -70.4904 34.899 16.1356 -226.257 -81.2961 -91.8895 -140.811 72.0627 PRESSAVG: 4599400 31.9634 9.59263 -23.9424 9.59267 -24.4464 -5.25188 -23.9424 -5.25189 40.8184 GPRESSAVG: 4599400 32.4768 11.6055 -25.3407 10.8507 -24.5031 -7.29026 -22.6822 -2.17888 39.5715 TIMING: 4599400 CPU: 13656.2, 0.00298666/step Wall: 13656.2, 0.00298666/step, 0.332349 hours remaining, 209.703125 MB of memory in use. ENERGY: 4599400 733.5935 2057.0980 1918.5553 127.2700 -205977.0487 17521.8242 0.0000 0.0000 34358.7760 -149259.9317 300.0637 -183618.7077 -149158.5922 300.2179 -206.9467 -176.7752 558246.6725 16.1118 15.8484 PRESSURE: 4599600 -130.096 -233.182 -29.4275 -233.182 191.741 -54.8737 -29.4267 -54.8741 -160.213 GPRESSURE: 4599600 -90.7438 -294.707 -107.149 -244.167 221.218 -96.2509 6.11972 -114.277 -128.079 PRESSAVG: 4599600 21.2276 -33.8077 31.4932 -33.8078 -35.0403 11.1673 31.4932 11.1673 33.6144 GPRESSAVG: 4599600 21.6301 -35.5494 31.9846 -33.1195 -36.1984 10.3972 29.8776 11.7989 34.0445 TIMING: 4599600 CPU: 13656.8, 0.00292812/step Wall: 13656.8, 0.00292812/step, 0.325672 hours remaining, 209.703125 MB of memory in use. ENERGY: 4599600 768.3672 2097.4639 1915.0211 120.8653 -206008.0330 17673.1138 0.0000 0.0000 34232.1443 -149201.0572 298.9578 -183433.2016 -149103.5454 300.1294 -32.8561 0.7986 556810.3201 6.6006 6.4921 PRESSURE: 4599800 -160.152 113.527 -98.0246 113.528 -69.7606 -15.0624 -98.025 -15.0625 -187.883 GPRESSURE: 4599800 -112.255 182.462 -67.9697 73.9996 -24.8321 -111.292 -49.0593 13.6434 -178.183 PRESSAVG: 4599800 -3.23396 1.17702 20.5308 1.17701 25.1397 0.0291294 20.5309 0.0290956 -6.9322 GPRESSAVG: 4599800 -4.1113 -1.85165 18.5888 2.47069 26.5592 1.38441 25.6578 -1.36979 -7.58056 TIMING: 4599800 CPU: 13657.4, 0.00295022/step Wall: 13657.4, 0.00295022/step, 0.327966 hours remaining, 209.703125 MB of memory in use. ENERGY: 4599800 780.4004 2059.3014 1917.9378 112.8398 -206297.8640 17807.2027 0.0000 0.0000 34375.5289 -149244.6529 300.2100 -183620.1818 -149153.1136 299.9998 -139.2652 -105.0900 557043.9837 4.9912 4.9558 PRESSURE: 4600000 148.464 259.846 53.2003 259.846 40.994 -53.6845 53.2 -53.6836 -166.05 GPRESSURE: 4600000 161.193 242.686 46.4994 200.112 50.3899 8.93495 63.9338 -187.472 -101.059 PRESSAVG: 4600000 39.4918 -9.6492 -31.9027 -9.6492 -9.28881 16.8476 -31.9027 16.8477 -27.0111 GPRESSAVG: 4600000 40.2337 -6.58711 -31.7523 -11.6116 -10.5419 16.0168 -33.5159 16.1558 -26.343 TIMING: 4600000 CPU: 13658, 0.00293253/step Wall: 13658, 0.00293253/step, 0.325837 hours remaining, 209.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4600000 773.6169 2096.1884 1922.3428 113.5229 -206253.1184 17878.6462 0.0000 0.0000 34203.2860 -149265.5151 298.7058 -183468.8011 -149171.2308 299.6852 7.8027 36.8413 556772.7005 1.0640 1.1163 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4600000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 4600000 WRITING COORDINATES TO RESTART FILE AT STEP 4600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4600200 -18.3413 76.8311 25.8297 76.8317 78.4783 142.392 25.8317 142.395 -103.01 GPRESSURE: 4600200 31.2292 81.2722 98.3239 40.0768 146.533 140.369 0.242967 98.8217 -119.775 PRESSAVG: 4600200 7.76863 24.8083 3.62336 24.8084 43.9446 2.32104 3.62338 2.32102 -36.782 GPRESSAVG: 4600200 8.23459 20.9568 6.72735 27.0221 44.2526 4.27464 0.546617 -0.175399 -37.1719 TIMING: 4600200 CPU: 13658.6, 0.00300653/step Wall: 13658.6, 0.00300653/step, 0.333892 hours remaining, 209.703125 MB of memory in use. ENERGY: 4600200 754.5922 2047.6858 1956.2964 108.6049 -206462.7468 17934.6371 0.0000 0.0000 34259.3005 -149401.6299 299.1950 -183660.9304 -149299.5904 299.0526 -14.2911 19.3291 555527.2994 4.9771 5.1051 LDB: ============= START OF LOAD BALANCING ============== 13662.1 LDB: ============== END OF LOAD BALANCING =============== 13662.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13662.1 LDB: ============= START OF LOAD BALANCING ============== 13662.4 LDB: Largest compute 4801 load 0.021076 is 17.8% of average load 0.118261 LDB: Average compute 0.001737 is 1.5% of average load 0.118261 LDB: TIME 13662.4 LOAD: AVG 0.118261 MAX 0.196786 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.609 MB LDB: TIME 13662.4 LOAD: AVG 0.118261 MAX 0.196786 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.609 MB LDB: TIME 13662.4 LOAD: AVG 0.118261 MAX 0.196786 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.609 MB LDB: ============== END OF LOAD BALANCING =============== 13662.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13662.4 PRESSURE: 4600400 -160.163 13.9305 -11.5055 13.9307 -135.651 224.417 -11.505 224.419 10.5836 GPRESSURE: 4600400 -142.595 82.8918 -33.7307 13.7633 -109.121 278.45 9.17707 216.989 72.1891 PRESSAVG: 4600400 3.67221 24.8237 2.45005 24.8237 24.727 17.1331 2.45002 17.1331 -26.2668 GPRESSAVG: 4600400 3.1556 27.2597 1.27697 21.9423 24.5256 15.3025 5.34488 18.9451 -25.0385 TIMING: 4600400 CPU: 13659.2, 0.00296662/step Wall: 13659.2, 0.00296662/step, 0.329294 hours remaining, 208.351562 MB of memory in use. ENERGY: 4600400 756.0376 2107.7713 1896.7397 120.7740 -206124.7878 17598.9899 0.0000 0.0000 34258.5762 -149385.8991 299.1887 -183644.4753 -149293.2697 298.9553 -95.0768 -59.8424 555746.0911 0.7108 0.8809 PRESSURE: 4600600 -106.483 -125.529 -79.7824 -125.53 74.016 71.2644 -79.7826 71.2655 -71.4526 GPRESSURE: 4600600 -71.4173 -141.735 -135.263 -95.001 93.0211 163.657 -112.565 -15.1177 -33.4291 PRESSAVG: 4600600 -8.66597 26.5079 -60.8182 26.508 -56.8435 -12.7722 -60.8182 -12.7722 57.3067 GPRESSAVG: 4600600 -7.52661 27.6734 -63.8664 27.0639 -55.6661 -11.3103 -60.4838 -13.0495 55.1258 TIMING: 4600600 CPU: 13659.8, 0.00293443/step Wall: 13659.8, 0.00293443/step, 0.325559 hours remaining, 208.351562 MB of memory in use. ENERGY: 4600600 772.4194 2086.9209 1916.6927 109.7233 -206427.5764 17720.0943 0.0000 0.0000 34350.0835 -149471.6423 299.9878 -183821.7258 -149375.9162 299.0827 -34.6399 -3.9417 556528.5404 -2.7342 -2.6890 PRESSURE: 4600800 -41.1079 181.459 -54.2476 181.459 45.3949 52.6599 -54.2472 52.6594 -57.2574 GPRESSURE: 4600800 59.994 131.84 -68.7156 175.318 51.5268 129.422 -53.3502 59.4868 -63.0781 PRESSAVG: 4600800 -4.38056 -42.609 1.54911 -42.6089 5.6404 -0.157731 1.54914 -0.157628 15.2843 GPRESSAVG: 4600800 -4.03457 -44.7674 5.22187 -40.703 5.18406 -0.267313 -0.738568 -0.824201 16.2131 TIMING: 4600800 CPU: 13660.4, 0.00294236/step Wall: 13660.4, 0.00294236/step, 0.326275 hours remaining, 208.351562 MB of memory in use. ENERGY: 4600800 747.1805 2104.0967 1927.0116 119.7860 -206235.3405 17686.4243 0.0000 0.0000 34275.4716 -149375.3698 299.3362 -183650.8413 -149275.0155 299.2725 -17.6568 16.1476 556354.1124 5.5147 5.7875 PRESSURE: 4601000 -68.1539 51.1879 103.697 51.1873 -2.92542 -41.5235 103.697 -41.5234 120.403 GPRESSURE: 4601000 -90.7955 38.3578 123.049 0.114837 73.7123 -6.74428 115.232 -41.4808 162.627 PRESSAVG: 4601000 15.2415 46.442 -37.1231 46.442 -59.1124 -10.8823 -37.1231 -10.8821 39.5183 GPRESSAVG: 4601000 13.9692 47.5339 -37.4769 46.1919 -57.9822 -11.2611 -35.4971 -9.49803 40.3062 TIMING: 4601000 CPU: 13661, 0.00296156/step Wall: 13661, 0.00296156/step, 0.32824 hours remaining, 208.351562 MB of memory in use. ENERGY: 4601000 781.7283 2141.1230 1937.0331 118.7871 -206237.1606 17928.8016 0.0000 0.0000 34191.1208 -149138.5666 298.5996 -183329.6874 -149041.6288 299.4444 16.4413 48.5147 558440.4562 -1.4508 -1.2356 PRESSURE: 4601200 -171.177 -109.843 -11.6319 -109.843 -242.879 9.75277 -11.6328 9.75159 -77.9626 GPRESSURE: 4601200 -118.621 -180.47 14.3639 -65.2114 -224.815 -19.4744 5.52922 -34.4736 -46.4868 PRESSAVG: 4601200 -28.8948 12.4352 42.6365 12.4352 -10.9784 -23.8171 42.6366 -23.8171 36.0378 GPRESSAVG: 4601200 -28.5667 11.0215 42.665 13.3694 -11.0919 -25.4202 41.1213 -23.7861 35.9979 TIMING: 4601200 CPU: 13661.6, 0.00298155/step Wall: 13661.6, 0.00298155/step, 0.330289 hours remaining, 208.351562 MB of memory in use. ENERGY: 4601200 790.8669 2119.6000 1910.3600 105.9828 -206381.4633 17906.3795 0.0000 0.0000 34211.4760 -149336.7981 298.7773 -183548.2741 -149240.5156 299.1351 -164.0061 -129.9741 558664.3299 -1.2785 -1.2203 PRESSURE: 4601400 -230.985 -137.254 -103.559 -137.252 46.9492 -82.6592 -103.56 -82.6592 -184.064 GPRESSURE: 4601400 -142.381 -84.6798 -82.8361 -123.164 43.1345 7.77146 -122.953 -114.187 -187.3 PRESSAVG: 4601400 13.0832 -4.39559 16.6184 -4.39554 -18.4179 -71.2856 16.6184 -71.2857 19.2257 GPRESSAVG: 4601400 12.6155 -1.96673 17.2578 -5.9127 -18.2673 -71.1329 16.7143 -69.6706 19.3013 TIMING: 4601400 CPU: 13662.1, 0.00295814/step Wall: 13662.1, 0.00295814/step, 0.327532 hours remaining, 208.351562 MB of memory in use. ENERGY: 4601400 744.0577 2083.1657 1981.6392 121.0506 -206215.1815 17644.1093 0.0000 0.0000 34355.9136 -149285.2454 300.0387 -183641.1590 -149183.4436 299.0444 -122.6999 -95.5155 558937.1731 4.6303 4.5498 PRESSURE: 4601600 -286.063 29.5699 -196.355 29.5697 -191.799 0.0986848 -196.355 0.0999357 -46.3431 GPRESSURE: 4601600 -292.21 -26.5662 -164.231 60.8436 -121.477 1.24489 -193.894 43.6987 -14.5881 PRESSAVG: 4601600 12.3329 -26.6165 -28.6828 -26.6166 4.602 -27.4457 -28.6828 -27.4457 1.27135 GPRESSAVG: 4601600 13.6294 -28.7465 -30.0406 -24.5808 3.77111 -25.6725 -27.4404 -28.8054 1.08698 TIMING: 4601600 CPU: 13662.7, 0.00296583/step Wall: 13662.7, 0.00296583/step, 0.328219 hours remaining, 208.351562 MB of memory in use. ENERGY: 4601600 747.3329 2092.0181 1947.1729 135.3969 -206078.1441 17683.8409 0.0000 0.0000 34343.6115 -149128.7709 299.9313 -183472.3824 -149031.1556 299.0100 -174.7351 -142.7582 558273.0215 6.0687 6.1625 PRESSURE: 4601800 91.3473 140.44 -4.39277 140.439 -158.338 60.5526 -4.39224 60.5538 75.9224 GPRESSURE: 4601800 136.869 145.062 33.2424 58.2254 -100.258 65.4216 -85.2775 42.7893 69.2013 PRESSAVG: 4601800 -0.0785796 -5.46095 -77.1568 -5.46098 25.4841 5.44713 -77.1568 5.44707 -40.4072 GPRESSAVG: 4601800 -1.50891 -5.34126 -77.7761 -6.32278 25.8724 4.51912 -77.8844 6.86632 -39.2958 TIMING: 4601800 CPU: 13663.3, 0.00294236/step Wall: 13663.3, 0.00294236/step, 0.325458 hours remaining, 208.609375 MB of memory in use. ENERGY: 4601800 754.0203 2141.1028 1924.3807 111.0861 -206196.0833 17778.0681 0.0000 0.0000 34094.3878 -149393.0376 297.7548 -183487.4254 -149298.6227 298.9039 2.9773 35.2707 556926.5037 -5.0006 -4.9774 PRESSURE: 4602000 -63.7579 -84.0084 24.9872 -84.0087 -263.703 72.4942 24.9877 72.4925 -131.717 GPRESSURE: 4602000 4.36945 -94.3529 -7.43924 -166.06 -238.339 86.4603 18.2551 43.3655 -127.699 PRESSAVG: 4602000 -47.8367 -6.92597 -3.02414 -6.92593 75.3255 1.7168 -3.02411 1.7168 7.60132 GPRESSAVG: 4602000 -46.4455 -6.39888 -3.58771 -8.75746 75.746 1.96068 -3.01718 -0.471105 5.79397 TIMING: 4602000 CPU: 13663.9, 0.00295675/step Wall: 13663.9, 0.00295675/step, 0.326885 hours remaining, 208.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4602000 726.0628 2059.0052 1913.5942 132.9288 -205854.4114 17495.7698 0.0000 0.0000 34161.2169 -149365.8336 298.3384 -183527.0506 -149268.3429 299.3354 -153.0592 -120.5563 557949.8354 11.6967 11.6981 PRESSURE: 4602200 -26.1227 42.6233 155.178 42.6232 172.692 -38.9866 155.178 -38.986 56.5435 GPRESSURE: 4602200 -9.04384 -7.72217 148.822 143.644 237.04 40.6048 169.832 -95.6145 70.573 PRESSAVG: 4602200 -30.395 -18.8323 -6.87309 -18.8322 34.7611 40.1729 -6.87302 40.1729 -1.31271 GPRESSAVG: 4602200 -30.265 -18.2688 -5.53366 -18.3873 33.9439 40.8206 -5.91866 39.2995 -0.253335 TIMING: 4602200 CPU: 13664.5, 0.00295428/step Wall: 13664.5, 0.00295428/step, 0.326448 hours remaining, 208.609375 MB of memory in use. ENERGY: 4602200 753.3871 2137.2821 1922.8915 99.2315 -206196.1593 18036.8520 0.0000 0.0000 34107.6358 -149138.8793 297.8705 -183246.5151 -149046.1374 299.0367 67.7042 99.5231 558146.0465 1.0178 1.1419 PRESSURE: 4602400 -143.342 -33.0148 -121.205 -33.0148 -210.55 102.682 -121.206 102.683 82.2838 GPRESSURE: 4602400 -96.1668 61.724 -156.069 -28.9488 -164.94 70.4092 -32.1942 68.8992 73.7377 PRESSAVG: 4602400 -68.8378 -5.56221 9.85457 -5.56223 34.3627 22.6591 9.85464 22.6591 72.6306 GPRESSAVG: 4602400 -69.6317 -4.85091 9.15153 -6.10833 35.2437 21.4794 8.60745 24.6591 72.5293 TIMING: 4602400 CPU: 13665.1, 0.0029439/step Wall: 13665.1, 0.0029439/step, 0.325137 hours remaining, 208.609375 MB of memory in use. ENERGY: 4602400 726.1494 2080.0547 1897.7652 100.5447 -205921.8670 17668.3105 0.0000 0.0000 34371.0406 -149078.0019 300.1708 -183449.0425 -148978.3174 300.3520 -90.5361 -62.4565 558313.4689 12.7185 12.7138 PRESSURE: 4602600 14.2471 23.8949 85.6955 23.8953 108.687 17.3042 85.6949 17.3049 84.7187 GPRESSURE: 4602600 94.0064 -48.5282 16.7841 42.7328 116.691 6.66361 71.1219 -2.43607 103.768 PRESSAVG: 4602600 -44.3137 24.7505 -7.26721 24.7504 -32.6808 3.65756 -7.2672 3.65754 34.2804 GPRESSAVG: 4602600 -43.4141 24.8471 -6.45717 25.2138 -32.6879 3.80339 -6.61372 3.88204 33.9616 TIMING: 4602600 CPU: 13665.7, 0.00293301/step Wall: 13665.7, 0.00293301/step, 0.323772 hours remaining, 208.609375 MB of memory in use. ENERGY: 4602600 743.1410 2097.7365 1946.4643 126.6425 -206443.6962 18141.9592 0.0000 0.0000 34301.2924 -149086.4603 299.5617 -183387.7528 -148987.3467 299.5997 69.2177 104.8217 559212.3886 -14.2380 -14.0468 PRESSURE: 4602800 -121.278 -4.52369 41.0999 -4.52357 179.993 -13.8084 41.1009 -13.8092 52.1235 GPRESSURE: 4602800 -189.135 -25.3939 8.76966 59.7529 245.519 73.023 64.377 -117.845 145.594 PRESSAVG: 4602800 3.54125 -2.22346 -38.043 -2.22339 0.334168 -21.2603 -38.043 -21.2603 3.07075 GPRESSAVG: 4602800 3.6356 -3.34096 -39.5385 -2.12574 0.760903 -20.4826 -35.5086 -21.5289 3.05727 TIMING: 4602800 CPU: 13666.3, 0.00292274/step Wall: 13666.3, 0.00292274/step, 0.322476 hours remaining, 208.609375 MB of memory in use. ENERGY: 4602800 762.4007 2077.2704 1936.7020 117.0162 -206389.8620 18060.2448 0.0000 0.0000 34218.7375 -149217.4903 298.8407 -183436.2278 -149120.0312 299.5641 36.9459 67.3260 559781.5153 2.3154 2.4846 PRESSURE: 4603000 20.809 2.58535 -39.9337 2.58753 71.4542 -78.6152 -39.9351 -78.6152 -190.026 GPRESSURE: 4603000 108.15 45.5566 -40.4771 -1.03395 -6.25976 -72.0183 -69.4196 -23.1072 -114.242 PRESSAVG: 4603000 -29.6858 39.6339 -19.4147 39.6339 22.6797 58.6254 -19.4148 58.6254 21.8889 GPRESSAVG: 4603000 -30.6068 39.4114 -17.781 39.7287 22.7608 57.7288 -22.1484 59.5681 22.018 TIMING: 4603000 CPU: 13666.9, 0.00294063/step Wall: 13666.9, 0.00294063/step, 0.324286 hours remaining, 208.609375 MB of memory in use. ENERGY: 4603000 730.9476 2088.1865 1918.1126 121.3614 -206208.4193 17796.7596 0.0000 0.0000 34244.1124 -149308.9392 299.0624 -183553.0517 -149211.5424 298.8872 -32.5875 -4.1171 557405.4677 4.9609 4.7240 PRESSURE: 4603200 -43.5755 95.8065 32.3333 95.8074 -166.187 96.6616 32.3346 96.66 145.344 GPRESSURE: 4603200 25.0272 45.9113 40.1104 112.898 -132.229 104.119 156.156 28.535 142.535 PRESSAVG: 4603200 -55.0947 47.4172 -9.17769 47.4171 94.6412 26.4377 -9.17755 26.4378 -42.2421 GPRESSAVG: 4603200 -53.2075 48.3782 -8.29199 48.6849 94.1253 28.6861 -9.58858 24.8364 -43.1355 TIMING: 4603200 CPU: 13667.4, 0.00293501/step Wall: 13667.4, 0.00293501/step, 0.323503 hours remaining, 208.609375 MB of memory in use. ENERGY: 4603200 721.1816 2105.3967 1928.4050 114.6186 -206179.1459 17708.8466 0.0000 0.0000 34233.1748 -149367.5227 298.9668 -183600.6975 -149262.5320 298.7855 -21.4727 11.7778 558103.3197 -0.8985 -0.7392 PRESSURE: 4603400 -271.787 -152.314 116.416 -152.316 -256.848 -78.9748 116.417 -78.9739 -326.549 GPRESSURE: 4603400 -212.682 -91.7104 57.8786 -200.231 -240.374 56.2361 119.409 -131.576 -297.243 PRESSAVG: 4603400 -40.0998 -30.0407 23.204 -30.0406 63.6587 11.8301 23.204 11.8301 -10.3507 GPRESSAVG: 4603400 -40.0466 -29.7549 21.493 -30.9288 63.4023 10.4035 23.4709 12.628 -9.33621 TIMING: 4603400 CPU: 13668, 0.00295814/step Wall: 13668, 0.00295814/step, 0.325889 hours remaining, 208.609375 MB of memory in use. ENERGY: 4603400 723.0129 2138.5942 1919.0220 112.4097 -205986.5614 17470.9120 0.0000 0.0000 34258.3502 -149364.2604 299.1867 -183622.6106 -149270.4763 299.3539 -285.0612 -250.0996 559348.0855 4.4027 4.6732 PRESSURE: 4603600 -191.753 77.8634 64.1861 77.8622 50.6116 -111.756 64.1859 -111.757 -48.3169 GPRESSURE: 4603600 -134.067 99.8062 22.3603 86.7555 76.014 -134.791 33.0917 -114.643 -46.9582 PRESSAVG: 4603600 -9.54985 15.046 -26.5137 15.046 27.4872 -30.5236 -26.5137 -30.5234 -9.60545 GPRESSAVG: 4603600 -9.42831 14.7358 -26.9096 15.1958 28.0518 -31.9794 -25.8746 -29.8877 -10.8692 TIMING: 4603600 CPU: 13668.6, 0.00296813/step Wall: 13668.6, 0.00296813/step, 0.326824 hours remaining, 208.609375 MB of memory in use. ENERGY: 4603600 743.1515 2086.0863 1936.7944 115.1004 -206605.9566 17951.3345 0.0000 0.0000 34530.1617 -149243.3278 301.5605 -183773.4895 -149150.6675 299.5670 -63.1529 -35.0036 558463.2487 2.7773 2.5848 PRESSURE: 4603800 385.913 5.71336 -153.925 5.71429 139.107 -46.1627 -153.924 -46.1628 -98.2911 GPRESSURE: 4603800 393.408 -36.8424 -108.01 31.3319 207.124 -56.3725 -89.6842 -59.4095 -72.3627 PRESSAVG: 4603800 -21.2973 38.5842 18.4843 38.5841 38.6874 -26.0766 18.4842 -26.0766 7.46706 GPRESSAVG: 4603800 -22.3369 39.2458 19.6933 39.4728 38.5961 -25.8904 19.1381 -27.3335 8.32829 TIMING: 4603800 CPU: 13669.2, 0.00297515/step Wall: 13669.2, 0.00297515/step, 0.327432 hours remaining, 208.609375 MB of memory in use. ENERGY: 4603800 766.3796 2106.6162 1920.9584 106.0042 -206405.4292 18034.0320 0.0000 0.0000 34126.1353 -149345.3036 298.0320 -183471.4388 -149244.4699 299.4551 142.2432 176.0563 557505.8479 8.2857 8.1959 PRESSURE: 4604000 -159.199 203.7 11.9342 203.701 -3.90104 128.406 11.934 128.405 -144.272 GPRESSURE: 4604000 -115.783 211.827 22.9364 132.268 -14.0685 160.98 3.27771 232.418 -79.7075 PRESSAVG: 4604000 4.84024 15.0185 19.2746 15.0186 35.342 24.0687 19.2745 24.0686 -37.4943 GPRESSAVG: 4604000 3.19637 14.2654 17.3913 14.3178 34.5417 22.6535 19.2054 27.4874 -35.2117 TIMING: 4604000 CPU: 13669.8, 0.00293176/step Wall: 13669.8, 0.00293176/step, 0.322494 hours remaining, 208.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4604000 744.2781 2088.9362 1930.0608 122.7107 -206193.3624 17693.1896 0.0000 0.0000 34126.5155 -149487.6716 298.0353 -183614.1871 -149386.5347 298.7764 -102.4572 -69.8530 558264.1809 0.8960 0.8421 PRESSURE: 4604200 -79.6548 -62.6079 -78.2944 -62.6074 -13.9502 -47.1622 -78.2948 -47.1624 -225.884 GPRESSURE: 4604200 -48.9438 -35.1863 -140.38 -130.567 45.2448 22.257 18.3787 -96.4871 -220.258 PRESSAVG: 4604200 7.21533 -28.2361 -0.955444 -28.236 2.90391 -11.1048 -0.955439 -11.1047 -17.5746 GPRESSAVG: 4604200 8.77012 -28.3445 0.431488 -28.2356 4.46466 -7.9194 -2.22135 -15.105 -20.4973 TIMING: 4604200 CPU: 13670.4, 0.00293325/step Wall: 13670.4, 0.00293325/step, 0.322495 hours remaining, 208.609375 MB of memory in use. ENERGY: 4604200 759.0091 2128.3339 1950.7228 113.3192 -206138.7069 17768.7893 0.0000 0.0000 33837.6925 -149580.8401 295.5130 -183418.5326 -149482.0610 298.3685 -106.4963 -74.6522 557430.3493 -2.4851 -2.4208 LDB: ============= START OF LOAD BALANCING ============== 13673.9 LDB: ============== END OF LOAD BALANCING =============== 13673.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13673.9 LDB: ============= START OF LOAD BALANCING ============== 13674.2 LDB: Largest compute 4801 load 0.020667 is 17.5% of average load 0.118210 LDB: Average compute 0.001736 is 1.5% of average load 0.118210 LDB: TIME 13674.2 LOAD: AVG 0.11821 MAX 0.196387 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.547 MB LDB: TIME 13674.2 LOAD: AVG 0.11821 MAX 0.196387 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.547 MB LDB: TIME 13674.2 LOAD: AVG 0.11821 MAX 0.196387 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.547 MB LDB: ============== END OF LOAD BALANCING =============== 13674.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13674.2 PRESSURE: 4604400 203.668 -198.711 5.31014 -198.712 -170.295 76.3481 5.31005 76.3476 22.9134 GPRESSURE: 4604400 286.6 -198.208 69.1126 -142.324 -154.171 26.7158 2.87707 49.038 26.6761 PRESSAVG: 4604400 73.4304 -8.27153 -6.79568 -8.27147 -19.2713 -49.6821 -6.79569 -49.6822 -41.4073 GPRESSAVG: 4604400 73.9019 -9.46154 -5.40267 -7.34043 -20.3761 -53.3406 -7.01049 -48.1481 -40.8811 TIMING: 4604400 CPU: 13671, 0.0030184/step Wall: 13671, 0.0030184/step, 0.331689 hours remaining, 209.320312 MB of memory in use. ENERGY: 4604400 775.8498 2093.8176 1942.6405 114.3380 -206740.5712 18091.9617 0.0000 0.0000 34346.2756 -149375.6880 299.9546 -183721.9635 -149282.9066 298.4141 18.7622 53.0350 556509.3863 4.2506 4.2149 PRESSURE: 4604600 13.2053 263.843 -70.0112 263.842 4.09498 -65.9325 -70.011 -65.932 -196.594 GPRESSURE: 4604600 22.9263 165.662 -196.202 295.07 54.0241 9.82172 19.5348 17.1912 -149.911 PRESSAVG: 4604600 34.9923 -74.4288 -107.983 -74.4288 -26.783 1.07115 -107.983 1.07103 -0.959136 GPRESSAVG: 4604600 34.4356 -74.8826 -110.713 -73.7613 -26.0467 3.20536 -107.024 1.4984 -0.680297 TIMING: 4604600 CPU: 13671.6, 0.00295879/step Wall: 13671.6, 0.00295879/step, 0.324974 hours remaining, 209.320312 MB of memory in use. ENERGY: 4604600 767.4726 2116.1712 1967.8365 114.4426 -206663.2733 17857.8515 0.0000 0.0000 34394.0029 -149445.4960 300.3714 -183839.4989 -149351.0271 298.5338 -59.7645 -24.3202 557434.3312 2.4167 2.5696 PRESSURE: 4604800 -102.736 -79.639 -104.612 -79.6385 -232.346 265.162 -104.612 265.162 -534.966 GPRESSURE: 4604800 -7.54422 -61.277 -27.7535 -73.368 -252.557 234.036 -172.201 243.701 -493.436 PRESSAVG: 4604800 18.2199 -13.2475 9.64336 -13.2475 -32.9583 12.7805 9.6433 12.7804 2.33873 GPRESSAVG: 4604800 18.3133 -10.235 10.3277 -16.425 -33.0564 12.6451 7.65715 12.5643 2.58545 TIMING: 4604800 CPU: 13672.2, 0.00294646/step Wall: 13672.2, 0.00294646/step, 0.323456 hours remaining, 209.320312 MB of memory in use. ENERGY: 4604800 769.0118 2098.2707 1947.5923 109.5349 -206268.0912 17631.5187 0.0000 0.0000 34303.2282 -149408.9345 299.5786 -183712.1627 -149306.0434 299.1896 -290.0160 -251.1790 558511.1130 -4.1332 -4.0526 PRESSURE: 4605000 -2.51686 -20.8675 -188.945 -20.8684 102.602 20.5555 -188.945 20.5557 118.28 GPRESSURE: 4605000 -22.6858 -36.1489 -276.824 17.0417 112.492 2.46083 -144.34 51.9037 236.969 PRESSAVG: 4605000 -61.1825 12.7258 -8.69784 12.7258 36.5094 11.1078 -8.69778 11.1077 -4.9253 GPRESSAVG: 4605000 -61.6515 13.2449 -9.83171 12.0629 36.316 13.9791 -6.79553 9.78528 -4.34939 TIMING: 4605000 CPU: 13672.8, 0.00295011/step Wall: 13672.8, 0.00295011/step, 0.323693 hours remaining, 209.320312 MB of memory in use. ENERGY: 4605000 737.2103 2057.0962 1959.0254 117.7447 -206360.4377 17998.8614 0.0000 0.0000 33982.3739 -149508.1258 296.7765 -183490.4997 -149414.6543 299.0955 72.7884 108.9249 558076.5033 -9.8662 -9.8950 PRESSURE: 4605200 -261.668 -44.6892 -114.86 -44.6895 212.987 23.8568 -114.86 23.8563 9.00893 GPRESSURE: 4605200 -214.075 -100.096 -42.0881 -72.465 137.347 -10.3842 -115.157 48.3098 119.003 PRESSAVG: 4605200 -2.32053 3.53286 -10.8883 3.53286 -14.6436 24.5633 -10.8884 24.5633 -4.52983 GPRESSAVG: 4605200 -2.86156 0.47071 -10.2895 4.83535 -14.2517 21.5655 -9.86086 23.5497 -4.53769 TIMING: 4605200 CPU: 13673.4, 0.00298862/step Wall: 13673.4, 0.00298862/step, 0.327752 hours remaining, 209.320312 MB of memory in use. ENERGY: 4605200 777.6727 2120.3701 1941.2458 118.6037 -206724.8237 18007.6656 0.0000 0.0000 34252.8490 -149506.4168 299.1386 -183759.2657 -149408.1005 298.7006 -13.2239 14.0914 557565.8169 -7.1647 -7.2170 PRESSURE: 4605400 -22.4464 59.0062 118.305 59.0056 31.4755 -25.4682 118.305 -25.4674 -90.8968 GPRESSURE: 4605400 -32.6464 7.20345 114.36 -9.34009 106.25 -47.6694 118.869 33.0698 -58.2375 PRESSAVG: 4605400 15.3379 -48.8751 -3.01709 -48.8751 74.8515 -4.34475 -3.01711 -4.34466 -63.9479 GPRESSAVG: 4605400 16.614 -46.6515 -2.76625 -48.4051 73.8294 -2.48713 -4.47625 -4.04369 -64.4057 TIMING: 4605400 CPU: 13674, 0.00297658/step Wall: 13674, 0.00297658/step, 0.326266 hours remaining, 209.320312 MB of memory in use. ENERGY: 4605400 750.0280 2105.3236 1915.0888 105.0040 -205991.2078 17635.8909 0.0000 0.0000 34109.3946 -149370.4779 297.8858 -183479.8726 -149264.3700 298.7459 -27.2892 5.1221 557079.8852 8.7472 8.6792 PRESSURE: 4605600 358.899 -141.786 55.6804 -141.787 271.475 -27.001 55.6804 -27.0009 124.503 GPRESSURE: 4605600 359.224 -113.664 103.175 -176.13 323.424 17.5816 74.3726 32.982 180.93 PRESSAVG: 4605600 15.6496 -49.3028 36.0531 -49.3028 20.2876 8.3484 36.0531 8.34834 -42.4928 GPRESSAVG: 4605600 13.7291 -49.8128 36.3621 -49.1954 22.2534 7.58235 33.6071 7.98404 -42.7166 TIMING: 4605600 CPU: 13674.6, 0.00296022/step Wall: 13674.6, 0.00296022/step, 0.324309 hours remaining, 209.320312 MB of memory in use. ENERGY: 4605600 760.8204 2119.0496 1935.6071 108.7283 -206388.9789 18096.3992 0.0000 0.0000 34111.1795 -149257.1949 297.9014 -183368.3744 -149157.9520 298.5789 251.6256 287.8593 556999.0371 -2.1852 -2.2447 PRESSURE: 4605800 96.5048 -114.142 61.2122 -114.14 103.713 153.778 61.2128 153.776 9.20981 GPRESSURE: 4605800 129.403 -137.61 76.0626 -106.818 143.21 131.882 118.47 172.046 44.663 PRESSAVG: 4605800 1.56978 -88.577 30.9992 -88.5769 -36.0078 3.31699 30.9991 3.31698 14.6527 GPRESSAVG: 4605800 1.46772 -87.245 31.4237 -89.7185 -35.8767 2.40937 32.2169 4.17564 14.7752 TIMING: 4605800 CPU: 13675.1, 0.00293584/step Wall: 13675.1, 0.00293584/step, 0.321475 hours remaining, 209.578125 MB of memory in use. ENERGY: 4605800 786.0034 2160.2474 1946.0320 113.4123 -206457.1151 17949.4138 0.0000 0.0000 34150.6722 -149351.3340 298.2463 -183502.0062 -149255.9477 299.2797 69.8092 105.7586 556176.6923 -6.5951 -6.5446 PRESSURE: 4606000 -17.4422 102.525 -30.3181 102.525 71.3419 -169.655 -30.3186 -169.654 -114.164 GPRESSURE: 4606000 -4.08246 42.4324 38.7503 79.5672 139.673 -136.096 -64.6918 -169.958 -104.652 PRESSAVG: 4606000 -2.60057 -26.9984 99.352 -26.9983 -36.3203 40.7919 99.3519 40.7919 28.6325 GPRESSAVG: 4606000 -1.08166 -27.4909 99.7434 -24.5802 -37.6163 40.9064 99.0255 41.3042 28.2932 TIMING: 4606000 CPU: 13675.7, 0.00295049/step Wall: 13675.7, 0.00295049/step, 0.322915 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4606000 763.3699 2105.0967 1942.8082 123.0879 -206030.1204 17641.6415 0.0000 0.0000 34188.8416 -149265.2746 298.5797 -183454.1162 -149173.4127 299.4049 -20.0881 10.3126 555543.4782 -3.4295 -3.4683 PRESSURE: 4606200 -448.768 68.8229 19.0042 68.8231 -306.202 -2.40866 19.0052 -2.40918 -135.73 GPRESSURE: 4606200 -432.847 166.842 44.3063 -63.9852 -283.749 -13.9783 -111.534 61.5007 -61.1026 PRESSAVG: 4606200 26.3756 25.8161 -15.8225 25.8161 28.2489 -40.8383 -15.8225 -40.8383 -42.5487 GPRESSAVG: 4606200 25.68 27.9229 -16.5923 23.0138 28.5077 -41.7483 -16.8392 -41.472 -41.9397 TIMING: 4606200 CPU: 13676.3, 0.00292658/step Wall: 13676.3, 0.00292658/step, 0.320135 hours remaining, 209.578125 MB of memory in use. ENERGY: 4606200 765.2235 2098.7480 1916.0577 105.2907 -205642.8146 17336.5673 0.0000 0.0000 34337.2953 -149083.6322 299.8761 -183420.9275 -148987.4650 299.7191 -296.9002 -259.2332 558157.9136 4.0253 4.0827 PRESSURE: 4606400 91.272 -65.24 -153.342 -65.2404 131.573 120.373 -153.342 120.375 8.27722 GPRESSURE: 4606400 181.863 -88.4154 -228.701 -45.2227 121.798 44.8168 -126.117 164.048 24.7234 PRESSAVG: 4606400 29.0285 31.6397 -55.6924 31.6396 19.0671 37.8313 -55.6924 37.8312 -52.5602 GPRESSAVG: 4606400 28.7009 29.5386 -55.3691 33.1377 18.5898 39.631 -54.7213 39.1686 -52.5132 TIMING: 4606400 CPU: 13676.9, 0.00294028/step Wall: 13676.9, 0.00294028/step, 0.321471 hours remaining, 209.578125 MB of memory in use. ENERGY: 4606400 768.7099 2099.0215 1906.2990 105.3112 -206265.2618 18063.9588 0.0000 0.0000 34239.6927 -149082.2687 299.0238 -183321.9614 -148989.1745 299.1911 77.0406 109.4616 557966.1435 -1.4882 -1.7408 PRESSURE: 4606600 196.281 69.234 135.995 69.2334 282.445 110.28 135.996 110.28 261.415 GPRESSURE: 4606600 198.331 161.502 121.148 2.88636 328.832 123.74 104.159 57.5125 312.309 PRESSAVG: 4606600 -44.1797 -51.7297 15.1314 -51.7297 4.49589 -49.4339 15.1314 -49.4338 63.2124 GPRESSAVG: 4606600 -44.0114 -51.2861 15.1656 -51.2075 4.70417 -50.9369 16.8645 -50.0246 62.6568 TIMING: 4606600 CPU: 13677.5, 0.00294775/step Wall: 13677.5, 0.00294775/step, 0.322123 hours remaining, 209.578125 MB of memory in use. ENERGY: 4606600 717.8785 2160.4409 1961.2446 114.3616 -206656.0229 18201.6636 0.0000 0.0000 34409.9956 -149090.4380 300.5111 -183500.4336 -148992.2253 299.5384 246.7139 279.8241 557485.7775 7.8429 7.7832 PRESSURE: 4606800 278.392 11.6668 -102.44 11.6662 85.3043 89.1869 -102.442 89.1861 -20.5342 GPRESSURE: 4606800 322.578 -20.5278 -195.88 -7.21811 113.13 65.5151 51.7021 179.583 4.59949 PRESSAVG: 4606800 58.989 15.2539 26.7825 15.2539 -39.8213 20.5652 26.7825 20.565 -12.5482 GPRESSAVG: 4606800 58.6933 13.8494 25.4399 14.5922 -40.7145 20.2599 26.9941 22.2143 -11.2059 TIMING: 4606800 CPU: 13678.1, 0.002941/step Wall: 13678.1, 0.002941/step, 0.321223 hours remaining, 209.578125 MB of memory in use. ENERGY: 4606800 740.0215 2062.9624 1907.1002 101.3030 -206435.5305 18171.6959 0.0000 0.0000 34202.3469 -149250.1006 298.6976 -183452.4475 -149151.4438 299.7347 114.3872 146.7690 559074.3755 2.2065 2.2577 PRESSURE: 4607000 22.2728 -9.64812 19.3517 -9.64789 -143.968 -18.8549 19.3529 -18.8543 -56.1838 GPRESSURE: 4607000 64.7108 -5.51468 -60.148 15.5508 -156.109 -17.0836 84.3284 -4.69576 19.5873 PRESSAVG: 4607000 -18.3613 -32.1327 3.84078 -32.1326 12.3932 -17.1347 3.84082 -17.1347 15.7638 GPRESSAVG: 4607000 -18.1158 -30.8413 3.55874 -32.0845 12.1212 -17.3827 1.32563 -18.4955 15.8828 TIMING: 4607000 CPU: 13678.7, 0.00293115/step Wall: 13678.7, 0.00293115/step, 0.319984 hours remaining, 209.578125 MB of memory in use. ENERGY: 4607000 747.8929 2041.1688 1918.9949 115.5739 -206276.0962 17786.6563 0.0000 0.0000 34356.8148 -149308.9945 300.0466 -183665.8093 -149215.1458 298.9696 -59.2929 -23.9370 559140.9547 3.2652 3.2961 PRESSURE: 4607200 190.913 127.683 7.07444 127.683 14.7263 -18.6176 7.07464 -18.6173 -123.893 GPRESSURE: 4607200 221.708 133.347 -12.6793 112.924 11.1559 -18.7828 -55.9981 10.626 -48.6351 PRESSAVG: 4607200 -61.4723 17.39 25.492 17.3898 3.20747 -7.13812 25.492 -7.13818 55.37 GPRESSAVG: 4607200 -60.6524 17.7212 26.8445 16.2612 3.32873 -5.79228 25.7127 -7.57629 54.9501 TIMING: 4607200 CPU: 13679.3, 0.00293197/step Wall: 13679.3, 0.00293197/step, 0.319911 hours remaining, 209.578125 MB of memory in use. ENERGY: 4607200 756.9185 2063.1283 1934.4481 110.8529 -206350.1953 17849.9071 0.0000 0.0000 34307.1595 -149327.7809 299.6130 -183634.9404 -149239.6326 299.1369 27.2489 61.4097 557785.0506 -0.9649 -0.7912 PRESSURE: 4607400 148.649 -83.0279 27.2452 -83.0274 57.1522 42.4825 27.2453 42.4827 115.573 GPRESSURE: 4607400 198.62 -132.547 32.5354 -33.963 125.576 64.4506 -21.3351 73.9372 106.663 PRESSAVG: 4607400 -2.31953 -35.3579 -20.1269 -35.358 -16.467 1.2017 -20.1269 1.2018 -11.2201 GPRESSAVG: 4607400 -1.74675 -36.788 -18.116 -33.5634 -16.0042 2.46749 -20.9123 0.254083 -11.6507 TIMING: 4607400 CPU: 13679.8, 0.00295714/step Wall: 13679.8, 0.00295714/step, 0.322492 hours remaining, 209.578125 MB of memory in use. ENERGY: 4607400 743.4885 2088.2930 1898.3063 99.8192 -206600.9640 18179.9020 0.0000 0.0000 34409.3915 -149181.7636 300.5058 -183591.1552 -149084.8030 299.2602 107.1244 143.6199 558924.0674 -10.0022 -9.8006 PRESSURE: 4607600 202.262 -29.4217 10.4049 -29.4223 97.9191 20.3575 10.4048 20.3548 19.3008 GPRESSURE: 4607600 185.662 48.7173 23.4044 -8.19373 184.753 30.6651 -64.4754 -58.7515 37.5776 PRESSAVG: 4607600 4.12791 1.10914 -0.748119 1.10923 4.56027 0.605019 -0.748121 0.605114 14.5051 GPRESSAVG: 4607600 2.92963 3.57852 -3.18634 0.257878 4.3294 -1.46807 1.05463 0.833967 15.6213 TIMING: 4607600 CPU: 13680.4, 0.00296808/step Wall: 13680.4, 0.00296808/step, 0.32352 hours remaining, 209.578125 MB of memory in use. ENERGY: 4607600 742.1194 2101.8817 1942.3190 107.4622 -206176.0577 17895.5101 0.0000 0.0000 34202.3699 -149184.3953 298.6978 -183386.7652 -149087.1558 299.7445 106.4940 135.9974 558589.4376 7.7311 7.6268 PRESSURE: 4607800 82.0095 -120.089 51.7028 -120.089 118.797 -59.9729 51.7026 -59.9739 207.759 GPRESSURE: 4607800 68.6997 -55.7364 -12.7095 -128.53 160.242 -78.6027 33.0839 1.22929 275.37 PRESSAVG: 4607800 32.5442 51.8138 -2.46535 51.8138 3.99539 -12.6339 -2.46533 -12.6341 16.6295 GPRESSAVG: 4607800 32.6431 50.3429 -1.52514 52.9236 4.52875 -12.6208 -4.80952 -10.6486 15.7202 TIMING: 4607800 CPU: 13681, 0.00293223/step Wall: 13681, 0.00293223/step, 0.31945 hours remaining, 209.578125 MB of memory in use. ENERGY: 4607800 732.5024 2061.2413 1939.6647 110.3859 -206330.7817 17929.8213 0.0000 0.0000 34296.0649 -149261.1012 299.5161 -183557.1661 -149166.7955 299.1902 136.1887 168.1041 556783.4141 17.7230 17.6307 PRESSURE: 4608000 32.5967 -32.4526 141.046 -32.4514 187.02 135.77 141.047 135.77 157.786 GPRESSURE: 4608000 75.7203 15.732 76.2022 -2.61098 184.821 93.5265 139.07 102.452 207.502 PRESSAVG: 4608000 27.6791 -19.7093 24.5615 -19.7094 -15.8451 -1.61507 24.5615 -1.61493 0.992117 GPRESSAVG: 4608000 27.5461 -18.0899 24.8099 -21.0933 -16.4499 0.333045 27.4867 -2.51044 1.72089 TIMING: 4608000 CPU: 13681.6, 0.00300273/step Wall: 13681.6, 0.00300273/step, 0.326963 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4608000 778.6931 2033.0594 1913.3557 111.9742 -206562.7753 18031.3755 0.0000 0.0000 34309.2297 -149385.0877 299.6310 -183694.3174 -149286.2814 298.7472 125.8010 156.0143 555570.8291 4.2754 4.2723 PRESSURE: 4608200 -266.865 35.518 47.9562 35.5174 -85.6483 1.47269 47.9566 1.47211 -114.562 GPRESSURE: 4608200 -180.885 -10.3081 69.6094 64.3908 -124.3 88.2523 81.3851 108.855 -71.3359 PRESSAVG: 4608200 29.5044 -2.15507 42.7246 -2.15519 -7.99282 0.811611 42.7247 0.811604 -49.1631 GPRESSAVG: 4608200 29.5208 -5.41016 41.7419 -0.857486 -7.62081 -2.19016 41.4871 1.15376 -49.1987 TIMING: 4608200 CPU: 13682.2, 0.00297524/step Wall: 13682.2, 0.00297524/step, 0.323806 hours remaining, 209.578125 MB of memory in use. ENERGY: 4608200 753.6077 2096.8066 1960.0220 117.8027 -205858.6426 17314.9913 0.0000 0.0000 34171.2809 -149444.1316 298.4263 -183615.4124 -149347.2982 298.9481 -155.6918 -125.5070 557789.5394 -9.2172 -9.0996 LDB: ============= START OF LOAD BALANCING ============== 13685.8 LDB: ============== END OF LOAD BALANCING =============== 13685.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13685.8 LDB: ============= START OF LOAD BALANCING ============== 13686.1 LDB: Largest compute 4801 load 0.021024 is 17.8% of average load 0.118296 LDB: Average compute 0.001736 is 1.5% of average load 0.118296 LDB: TIME 13686.1 LOAD: AVG 0.118296 MAX 0.199488 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.32 MB LDB: TIME 13686.1 LOAD: AVG 0.118296 MAX 0.199488 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.449 MB LDB: TIME 13686.1 LOAD: AVG 0.118296 MAX 0.199488 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.449 MB LDB: ============== END OF LOAD BALANCING =============== 13686.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13686.1 PRESSURE: 4608400 -38.6919 14.7556 -153.375 14.7559 -115.236 -113.149 -153.373 -113.148 -59.4553 GPRESSURE: 4608400 -58.1199 51.2008 -171.115 -53.9414 -47.4456 -135.368 -168.287 -15.5667 -1.16203 PRESSAVG: 4608400 47.6314 24.2231 19.5746 24.2232 14.2633 -16.9456 19.5746 -16.9455 -71.3101 GPRESSAVG: 4608400 48.0816 26.8546 18.092 23.5825 14.2426 -15.3055 21.1932 -17.7845 -71.4736 TIMING: 4608400 CPU: 13682.8, 0.00303273/step Wall: 13682.8, 0.00303273/step, 0.329894 hours remaining, 209.945312 MB of memory in use. ENERGY: 4608400 719.8993 2070.2943 1955.5493 114.4307 -206141.3802 17721.0258 0.0000 0.0000 34145.9600 -149414.2208 298.2052 -183560.1808 -149315.7050 298.5175 -71.1277 -35.5758 557628.6850 -3.1385 -3.0498 PRESSURE: 4608600 -174.912 54.9229 23.356 54.9219 189.617 132.771 23.3567 132.771 -73.6113 GPRESSURE: 4608600 -104.064 85.1808 56.8307 18.8766 185.962 141.84 -12.0244 28.3818 -48.9418 PRESSAVG: 4608600 13.4416 29.1339 15.0728 29.1338 6.00418 -42.4294 15.0728 -42.4294 -5.92712 GPRESSAVG: 4608600 15.051 31.024 14.6499 26.2564 5.05729 -43.3165 13.1342 -41.094 -6.29256 TIMING: 4608600 CPU: 13683.4, 0.00295258/step Wall: 13683.4, 0.00295258/step, 0.321011 hours remaining, 209.945312 MB of memory in use. ENERGY: 4608600 757.8356 2106.7658 1916.8308 108.3223 -206098.4177 17730.4530 0.0000 0.0000 34145.3125 -149332.8977 298.1995 -183478.2102 -149237.1535 299.1256 -19.6352 10.9854 556684.0955 4.5062 4.6052 PRESSURE: 4608800 -74.8391 -49.3267 -14.5322 -49.3256 -342.622 68.7739 -14.5314 68.7742 124.502 GPRESSURE: 4608800 0.828744 -163.18 -41.9612 57.6784 -309.919 -1.4162 -60.6048 63.7957 104.947 PRESSAVG: 4608800 38.4699 42.1709 -33.0341 42.171 39.2372 -31.4202 -33.0341 -31.42 -80.8745 GPRESSAVG: 4608800 35.5987 37.8335 -31.2463 47.0964 40.2549 -29.7545 -33.7354 -33.4467 -79.0385 TIMING: 4608800 CPU: 13684, 0.00297487/step Wall: 13684, 0.00297487/step, 0.323269 hours remaining, 209.945312 MB of memory in use. ENERGY: 4608800 798.8044 2101.9478 1905.4801 108.8726 -206396.8436 17819.1794 0.0000 0.0000 34291.4698 -149371.0895 299.4759 -183662.5593 -149280.3288 299.2339 -97.6528 -68.0475 558462.7243 -1.0558 -1.0616 PRESSURE: 4609000 -150.959 -105.677 -167.479 -105.676 165.479 98.5125 -167.478 98.5124 231.582 GPRESSURE: 4609000 -125.289 -135.046 -244.901 -79.9168 160.411 52.679 -85.2697 164.363 312.902 PRESSAVG: 4609000 -31.5722 -22.9675 -63.0594 -22.9675 27.5801 -37.8294 -63.0593 -37.8294 53.2288 GPRESSAVG: 4609000 -31.4038 -23.0991 -64.3291 -23.6146 27.4513 -39.197 -61.4288 -36.4792 52.9675 TIMING: 4609000 CPU: 13684.6, 0.00294822/step Wall: 13684.6, 0.00294822/step, 0.320209 hours remaining, 209.945312 MB of memory in use. ENERGY: 4609000 696.1646 2101.7077 1910.4256 107.3394 -206083.1062 17787.7115 0.0000 0.0000 34225.6751 -149254.0822 298.9013 -183479.7572 -149155.2944 298.7585 82.0341 116.0083 556795.3675 16.4122 16.3384 PRESSURE: 4609200 -210.268 15.2177 -1.80667 15.2178 -279.612 119.936 -1.80588 119.937 -117.561 GPRESSURE: 4609200 -109.795 -49.8544 25.0767 -10.1489 -294.985 228.313 13.3864 37.4837 -89.1673 PRESSAVG: 4609200 -59.3005 -6.04124 32.7931 -6.04117 17.0378 -13.7263 32.7932 -13.7262 11.6662 GPRESSAVG: 4609200 -58.4305 -4.05009 35.0057 -6.85449 17.259 -12.4378 31.0824 -13.7605 11.1993 TIMING: 4609200 CPU: 13685.2, 0.00294532/step Wall: 13685.2, 0.00294532/step, 0.31973 hours remaining, 209.945312 MB of memory in use. ENERGY: 4609200 778.8518 2102.9892 1922.8455 108.5403 -205781.8682 17412.3929 0.0000 0.0000 34113.9836 -149342.2650 297.9259 -183456.2486 -149253.8232 299.2778 -202.4807 -164.6491 557297.9954 -10.1988 -9.9907 PRESSURE: 4609400 -181.898 22.1708 205.191 22.17 115.565 -45.7066 205.19 -45.709 85.2627 GPRESSURE: 4609400 -119.051 -2.46975 178.446 48.9798 140.194 -88.4544 198.105 -0.910985 101.334 PRESSAVG: 4609400 27.6754 10.7732 -41.1056 10.7732 -47.5285 30.4442 -41.1057 30.4442 34.1289 GPRESSAVG: 4609400 26.5705 10.7931 -40.8197 9.80354 -46.5434 29.3136 -41.3306 30.2679 34.0632 TIMING: 4609400 CPU: 13685.8, 0.00292274/step Wall: 13685.8, 0.00292274/step, 0.317117 hours remaining, 209.945312 MB of memory in use. ENERGY: 4609400 713.1793 2183.8879 1904.7109 120.5269 -206143.5254 17615.8261 0.0000 0.0000 34323.9044 -149281.4897 299.7592 -183605.3941 -149187.8571 299.2296 6.3102 40.8257 556241.6064 4.7586 4.6968 PRESSURE: 4609600 -226.821 -7.57088 82.5878 -7.57118 -102.821 20.7927 82.5877 20.7915 -161.283 GPRESSURE: 4609600 -263.154 -53.2103 146.488 -60.7714 -32.9891 -1.49887 60.8856 32.4291 -80.5019 PRESSAVG: 4609600 0.0613691 8.38791 20.2125 8.38796 61.2982 17.709 20.2126 17.709 -12.2055 GPRESSAVG: 4609600 0.856763 6.6974 19.1892 9.89592 59.7767 16.7503 20.5917 18.5855 -11.3556 TIMING: 4609600 CPU: 13686.4, 0.00296319/step Wall: 13686.4, 0.00296318/step, 0.321341 hours remaining, 209.945312 MB of memory in use. ENERGY: 4609600 775.4232 2107.2590 1881.3519 114.6329 -206361.0155 17886.5392 0.0000 0.0000 34159.4900 -149436.3193 298.3233 -183595.8093 -149344.6881 298.9831 -163.6415 -125.5482 556801.8437 16.3847 16.4259 PRESSURE: 4609800 -4.68454 30.504 -30.192 30.5035 -264.266 48.3048 -30.1911 48.3065 80.0295 GPRESSURE: 4609800 92.471 30.7242 -2.47088 -22.9908 -209.337 0.539708 -48.3115 96.3394 38.0532 PRESSAVG: 4609800 59.1371 -21.8333 -1.47847 -21.8333 -21.5955 22.5913 -1.47843 22.5912 -43.5541 GPRESSAVG: 4609800 58.2971 -19.6714 -0.294579 -22.2601 -20.3987 24.4427 0.209874 20.5039 -44.3638 TIMING: 4609800 CPU: 13687, 0.00295424/step Wall: 13687, 0.00295424/step, 0.320206 hours remaining, 209.945312 MB of memory in use. ENERGY: 4609800 749.2511 2147.5838 1898.1281 115.4216 -206174.5468 17793.3005 0.0000 0.0000 34158.8044 -149312.0572 298.3173 -183470.8617 -149209.0561 298.9868 -62.9736 -26.2709 557463.5749 -2.0042 -2.1551 PRESSURE: 4610000 -171.826 -192.947 -34.0869 -192.947 -54.8458 -112.694 -34.0862 -112.693 -261.105 GPRESSURE: 4610000 -109.523 -220.846 -52.7187 -251.29 -56.1673 -68.2733 -22.436 -44.1801 -231.247 PRESSAVG: 4610000 58.3394 -34.7995 1.49166 -34.7996 -61.3911 6.6084 1.49171 6.6084 -56.5277 GPRESSAVG: 4610000 57.8074 -35.0171 -0.0869796 -34.7576 -61.0048 4.40012 4.16559 9.10145 -55.6977 TIMING: 4610000 CPU: 13687.5, 0.00292219/step Wall: 13687.5, 0.00292219/step, 0.31657 hours remaining, 209.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4610000 728.0281 2093.1344 1898.5427 109.1532 -206136.6076 17668.5019 0.0000 0.0000 34238.1545 -149401.0928 299.0103 -183639.2473 -149304.6721 299.0386 -162.5922 -132.3124 558261.5171 -19.8598 -19.6317 PRESSURE: 4610200 318.711 -48.8421 13.5147 -48.843 200.596 99.6572 13.5163 99.657 -66.8326 GPRESSURE: 4610200 400.106 4.3468 -61.8875 -65.7512 157.694 178.696 44.4869 30.6686 -13.9476 PRESSAVG: 4610200 37.366 19.509 -5.07993 19.5088 -17.4277 58.7635 -5.07982 58.7635 -50.0815 GPRESSAVG: 4610200 37.2773 19.5562 -4.19333 19.0056 -17.6475 59.6402 -7.09981 56.173 -50.0281 TIMING: 4610200 CPU: 13688.1, 0.00297481/step Wall: 13688.1, 0.00297481/step, 0.322106 hours remaining, 209.945312 MB of memory in use. ENERGY: 4610200 727.3746 2158.3902 1936.1600 111.6823 -206564.9650 17976.6071 0.0000 0.0000 34189.7339 -149465.0170 298.5874 -183654.7509 -149373.8197 298.7141 150.8249 181.2842 555627.5638 -10.0478 -10.1328 PRESSURE: 4610400 -56.4349 -164.047 88.2182 -164.047 -163.896 100.054 88.2179 100.054 -54.66 GPRESSURE: 4610400 -43.5873 -149.311 94.3288 -100.272 -90.4411 53.8816 59.1411 135.856 -46.4603 PRESSAVG: 4610400 15.2479 -16.5626 31.951 -16.5626 -29.3256 14.2629 31.9511 14.263 9.3219 GPRESSAVG: 4610400 16.7224 -18.2081 29.9309 -17.0444 -30.4252 14.7005 31.4819 17.3506 9.03107 TIMING: 4610400 CPU: 13688.7, 0.00298054/step Wall: 13688.7, 0.00298054/step, 0.322561 hours remaining, 209.945312 MB of memory in use. ENERGY: 4610400 726.7645 2069.3649 1933.5336 121.3978 -206266.1577 17833.4140 0.0000 0.0000 34309.7886 -149271.8943 299.6359 -183581.6829 -149174.1597 299.5379 -91.6636 -60.1629 558111.1123 -1.5853 -1.5572 PRESSURE: 4610600 -182.887 -91.407 61.7886 -91.4069 91.478 95.4666 61.7888 95.4661 4.04866 GPRESSURE: 4610600 -166.79 -69.83 30.3485 -77.783 208.009 149.008 23.5273 54.5413 -35.7696 PRESSAVG: 4610600 -12.9039 -40.3885 10.6665 -40.3885 64.6249 15.3953 10.6665 15.3953 -1.32359 GPRESSAVG: 4610600 -13.5402 -39.8227 10.265 -39.9525 65.7579 14.0679 10.2724 14.7567 -1.8792 TIMING: 4610600 CPU: 13689.3, 0.00294487/step Wall: 13689.3, 0.00294487/step, 0.318537 hours remaining, 209.945312 MB of memory in use. ENERGY: 4610600 740.6254 2094.5164 1961.8778 113.0822 -206405.9343 17890.3362 0.0000 0.0000 34342.5337 -149262.9625 299.9219 -183605.4962 -149164.7319 299.8989 -29.1201 1.8165 558599.0058 16.7991 16.7795 PRESSURE: 4610800 84.0475 14.7859 54.0044 14.7866 -167.478 -59.0558 54.0028 -59.0539 -207.073 GPRESSURE: 4610800 123.323 -9.8727 33.5537 8.26727 -140.337 -25.5185 47.2939 -120.756 -180.863 PRESSAVG: 4610800 3.52781 -60.1966 24.6118 -60.1966 -19.5557 -11.8938 24.6117 -11.8938 7.37446 GPRESSAVG: 4610800 3.8222 -59.3251 25.6886 -60.5799 -20.2448 -9.33864 25.4532 -11.871 7.91485 TIMING: 4610800 CPU: 13689.9, 0.00296003/step Wall: 13689.9, 0.00296003/step, 0.320012 hours remaining, 209.945312 MB of memory in use. ENERGY: 4610800 735.3241 2126.9721 1937.0161 120.2672 -205806.3956 17542.7897 0.0000 0.0000 34074.0473 -149269.9791 297.5771 -183344.0264 -149171.8564 299.5850 -96.8343 -65.9593 557323.8628 -2.8845 -2.8359 PRESSURE: 4611000 -200.177 -23.9338 5.32078 -23.9327 -65.9555 -91.7295 5.32013 -91.729 -87.5618 GPRESSURE: 4611000 -163.79 -43.5053 -5.35322 -67.0934 -38.194 -109.476 40.0457 -141.903 -64.4744 PRESSAVG: 4611000 -15.553 -55.6981 5.22729 -55.6981 38.6865 -0.101408 5.22728 -0.101382 -33.0669 GPRESSAVG: 4611000 -16.1139 -56.4146 5.37498 -55.0044 38.811 -0.107752 4.92049 -0.986292 -33.2049 TIMING: 4611000 CPU: 13690.5, 0.00294545/step Wall: 13690.5, 0.00294545/step, 0.318273 hours remaining, 209.945312 MB of memory in use. ENERGY: 4611000 742.7247 2095.9650 1947.1612 108.8682 -206067.7893 17659.2953 0.0000 0.0000 34257.1675 -149256.6074 299.1764 -183513.7749 -149162.7899 299.2034 -117.8981 -88.8195 557694.6041 -3.3111 -3.5026 PRESSURE: 4611200 -60.2548 73.9851 136.593 73.9851 -56.3341 -36.3041 136.592 -36.3038 149.078 GPRESSURE: 4611200 -43.4499 85.8666 85.3847 90.5784 -18.1795 -66.9904 164.78 -23.7902 187.55 PRESSAVG: 4611200 46.0894 -20.9369 4.70992 -20.937 54.6756 16.69 4.70986 16.69 -64.3594 GPRESSAVG: 4611200 47.3098 -20.4521 3.43418 -22.8268 54.1866 16.8323 7.0171 17.6888 -64.3635 TIMING: 4611200 CPU: 13691.1, 0.00295692/step Wall: 13691.1, 0.00295692/step, 0.319347 hours remaining, 209.945312 MB of memory in use. ENERGY: 4611200 776.1608 2135.8409 1944.7700 120.7152 -206490.5193 17854.6052 0.0000 0.0000 34485.9842 -149172.4430 301.1747 -183658.4272 -149077.6798 298.7596 10.8297 41.9737 556721.6646 12.1352 12.3776 PRESSURE: 4611400 107.756 -57.8526 -118.836 -57.8533 299.785 -67.2836 -118.836 -67.2825 -159.279 GPRESSURE: 4611400 169.931 6.91668 -0.391934 -58.4153 341.177 -46.9575 -200.379 -23.2069 -144.501 PRESSAVG: 4611400 -4.56231 -9.42619 -76.4394 -9.42613 9.63241 -19.9408 -76.4394 -19.9409 -8.31983 GPRESSAVG: 4611400 -5.18805 -7.92897 -75.164 -6.75799 9.6753 -19.5065 -79.8058 -20.2706 -7.99982 TIMING: 4611400 CPU: 13691.7, 0.00296418/step Wall: 13691.7, 0.00296418/step, 0.319967 hours remaining, 209.945312 MB of memory in use. ENERGY: 4611400 749.0197 2115.5334 1942.9322 120.1926 -206307.3542 17811.2360 0.0000 0.0000 34308.9958 -149259.4444 299.6290 -183568.4403 -149158.1630 299.4125 82.7539 122.2022 555675.2513 -1.0832 -1.1709 PRESSURE: 4611600 -102.341 -76.4884 119.408 -76.4881 -330.942 -32.4891 119.407 -32.4883 -181.228 GPRESSURE: 4611600 -56.549 -88.3524 85.5743 -80.3048 -312.405 -68.9642 169.846 -85.3561 -136.437 PRESSAVG: 4611600 43.2498 65.8909 60.6021 65.8909 4.79217 19.0917 60.602 19.0916 -44.9738 GPRESSAVG: 4611600 43.2924 63.7842 61.6788 65.0825 4.21439 18.0472 60.6525 19.1375 -45.26 TIMING: 4611600 CPU: 13692.3, 0.00296888/step Wall: 13692.3, 0.00296888/step, 0.320309 hours remaining, 209.945312 MB of memory in use. ENERGY: 4611600 766.0980 2092.2769 1940.8528 118.8020 -206256.2683 17693.2191 0.0000 0.0000 34372.9557 -149272.0639 300.1876 -183645.0196 -149174.1706 299.7708 -204.8371 -168.4637 556640.0996 1.0227 0.7489 PRESSURE: 4611800 44.5681 77.1164 -44.8403 77.1162 -95.5957 59.3477 -44.8394 59.3486 -77.5379 GPRESSURE: 4611800 56.3414 63.9676 -30.715 34.0189 -56.8554 109.992 -70.9506 -15.9109 -39.4577 PRESSAVG: 4611800 -26.7476 59.1353 5.34529 59.1353 3.29541 83.9933 5.34524 83.9934 18.0498 GPRESSAVG: 4611800 -27.7417 60.4295 2.96732 58.1844 4.9168 82.9704 7.67228 85.8927 17.102 TIMING: 4611800 CPU: 13692.9, 0.00292522/step Wall: 13692.9, 0.00292522/step, 0.315436 hours remaining, 209.945312 MB of memory in use. ENERGY: 4611800 710.9952 2086.2262 1938.0511 123.1115 -206046.3630 17635.9146 0.0000 0.0000 34338.9500 -149213.1143 299.8906 -183552.0643 -149119.7975 299.8520 -42.8552 -13.3239 556664.2217 -1.8008 -1.9076 PRESSURE: 4612000 145.719 -21.589 1.78258 -21.5901 34.6807 132.759 1.78286 132.76 19.3856 GPRESSURE: 4612000 171.15 -0.798546 35.649 -56.4069 84.8483 80.7765 34.1753 140.219 65.0977 PRESSAVG: 4612000 15.6778 40.719 -19.4706 40.719 -12.9413 -37.7412 -19.4706 -37.7413 -47.3955 GPRESSAVG: 4612000 16.4165 40.6002 -19.0743 38.8266 -14.2744 -37.759 -18.5895 -39.9864 -46.6347 TIMING: 4612000 CPU: 13693.5, 0.00293401/step Wall: 13693.5, 0.00293401/step, 0.316221 hours remaining, 209.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4612000 774.3106 2051.0703 1931.5427 105.7280 -206374.4936 18048.7149 0.0000 0.0000 34150.9258 -149312.2012 298.2485 -183463.1270 -149212.4979 298.9224 66.5950 107.0321 557040.9760 -14.8863 -14.8309 PRESSURE: 4612200 -178.255 -34.4325 -25.3474 -34.4314 214.699 53.2928 -25.3467 53.2918 -14.1063 GPRESSURE: 4612200 -167.908 -33.4449 -98.6815 44.2702 255.61 16.8209 45.3002 146.185 54.7017 PRESSAVG: 4612200 12.6963 46.1435 32.0224 46.1434 -5.8043 21.5169 32.0224 21.517 1.49208 GPRESSAVG: 4612200 11.9389 44.8221 32.4946 48.407 -5.58739 22.4148 30.3851 22.3586 2.02808 TIMING: 4612200 CPU: 13694, 0.00292922/step Wall: 13694, 0.00292922/step, 0.315542 hours remaining, 209.945312 MB of memory in use. ENERGY: 4612200 755.9911 2097.7649 1907.9081 100.4019 -206444.2082 17938.4436 0.0000 0.0000 34342.5070 -149301.1915 299.9217 -183643.6985 -149207.2527 298.9578 7.4459 47.4679 557539.3082 2.7947 2.7932 LDB: ============= START OF LOAD BALANCING ============== 13697.6 LDB: ============== END OF LOAD BALANCING =============== 13697.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13697.6 LDB: ============= START OF LOAD BALANCING ============== 13697.9 LDB: Largest compute 4801 load 0.021211 is 17.9% of average load 0.118251 LDB: Average compute 0.001733 is 1.5% of average load 0.118251 LDB: TIME 13697.9 LOAD: AVG 0.118251 MAX 0.196339 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.887 MB LDB: TIME 13697.9 LOAD: AVG 0.118251 MAX 0.196339 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.887 MB LDB: TIME 13697.9 LOAD: AVG 0.118251 MAX 0.196339 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.887 MB LDB: ============== END OF LOAD BALANCING =============== 13697.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13697.9 PRESSURE: 4612400 -207.737 115.643 -23.3981 115.642 238.672 68.1251 -23.3985 68.1261 -166.124 GPRESSURE: 4612400 -222.005 144.957 -61.626 139.702 271.919 18.8177 17.0102 42.3073 -94.7429 PRESSAVG: 4612400 43.6027 24.8072 -61.6663 24.8074 -10.9783 -0.858872 -61.6663 -0.858789 0.787421 GPRESSAVG: 4612400 42.8067 26.2947 -60.9169 23.4006 -10.8156 -2.47977 -62.3933 0.402865 1.02317 TIMING: 4612400 CPU: 13694.6, 0.00297533/step Wall: 13694.6, 0.00297533/step, 0.320344 hours remaining, 208.347656 MB of memory in use. ENERGY: 4612400 752.5485 2097.4909 1915.1535 114.5043 -206448.7076 17919.7507 0.0000 0.0000 34314.2575 -149335.0022 299.6749 -183649.2597 -149237.9315 299.4892 -45.0630 -14.9428 558800.8172 11.1372 11.0047 PRESSURE: 4612600 153.011 88.4972 -56.6044 88.4962 -64.2685 -41.7859 -56.6045 -41.7841 330.645 GPRESSURE: 4612600 142.8 83.4448 -20.8822 33.8093 13.2479 -98.5246 -136.941 19.4178 368.112 PRESSAVG: 4612600 60.2295 39.386 -21.4336 39.3859 -28.4723 -16.3689 -21.4335 -16.3689 -47.4588 GPRESSAVG: 4612600 60.5867 37.0235 -20.9989 40.2332 -27.8611 -14.8995 -20.9299 -17.9843 -48.9531 TIMING: 4612600 CPU: 13695.2, 0.00292551/step Wall: 13695.2, 0.00292551/step, 0.314817 hours remaining, 208.347656 MB of memory in use. ENERGY: 4612600 706.3584 2024.5879 1912.9967 120.8405 -206696.5462 18318.3885 0.0000 0.0000 34169.4603 -149443.9139 298.4104 -183613.3742 -149347.2868 299.4078 139.7960 174.7199 558341.6804 -5.2339 -5.4092 PRESSURE: 4612800 340.789 62.5251 68.2083 62.5265 -104.275 76.992 68.207 76.9919 -31.4105 GPRESSURE: 4612800 372.659 143.7 -60.0439 -23.0738 -111.997 58.768 127.811 25.9546 69.007 PRESSAVG: 4612800 -73.3536 49.3889 -24.5262 49.389 -2.89159 -59.4424 -24.5262 -59.4425 61.1559 GPRESSAVG: 4612800 -73.5429 50.4674 -25.2826 49.6286 -3.11099 -61.5468 -24.5522 -57.395 62.0531 TIMING: 4612800 CPU: 13695.8, 0.0029273/step Wall: 13695.8, 0.0029273/step, 0.314847 hours remaining, 208.347656 MB of memory in use. ENERGY: 4612800 756.1124 2069.3405 1897.5847 124.1542 -206208.9664 17781.7306 0.0000 0.0000 34307.3140 -149272.7300 299.6143 -183580.0440 -149177.5596 298.7440 68.3679 109.8895 556493.9372 -5.0298 -4.8669 PRESSURE: 4613000 -207.012 -60.5065 39.3608 -60.5072 -308.235 68.1754 39.3598 68.174 -117.979 GPRESSURE: 4613000 -70.9558 -27.1335 40.6647 -78.1779 -272.227 5.41907 40.2378 75.6179 -191.531 PRESSAVG: 4613000 -9.25115 18.7694 5.51833 18.7694 27.8145 -5.44103 5.51827 -5.44092 -12.487 GPRESSAVG: 4613000 -8.34619 19.2251 5.58581 17.4561 27.8265 -4.58213 4.28107 -5.55167 -13.7642 TIMING: 4613000 CPU: 13696.4, 0.00294456/step Wall: 13696.4, 0.00294456/step, 0.316541 hours remaining, 208.347656 MB of memory in use. ENERGY: 4613000 723.7400 2043.3092 1932.7004 112.6599 -205825.4452 17640.5925 0.0000 0.0000 33908.8582 -149463.5850 296.1345 -183372.4432 -149370.6461 298.0640 -211.0754 -178.2379 559238.3153 2.0255 1.9054 PRESSURE: 4613200 190.907 21.1657 -14.4032 21.1661 231.714 161.506 -14.4036 161.506 211.05 GPRESSURE: 4613200 222.221 80.0424 -21.037 -29.8158 234.574 238.187 33.1506 98.5252 274.273 PRESSAVG: 4613200 41.9083 -17.7389 8.36822 -17.7388 -40.7574 -1.67903 8.36819 -1.67909 -7.48894 GPRESSAVG: 4613200 42.2782 -19.2763 7.05845 -13.3814 -41.6203 -2.00685 10.341 -0.387262 -6.69459 TIMING: 4613200 CPU: 13697, 0.00295223/step Wall: 13697, 0.00295223/step, 0.317201 hours remaining, 208.347656 MB of memory in use. ENERGY: 4613200 710.3109 2093.2363 1902.8409 109.0683 -206529.9700 18058.7735 0.0000 0.0000 34126.5346 -149529.2054 298.0355 -183655.7400 -149441.8239 298.0136 211.2236 243.6896 556622.1145 -2.1127 -2.0122 PRESSURE: 4613400 -259.364 -43.4647 -211.997 -43.465 210.719 125.21 -211.997 125.212 171.816 GPRESSURE: 4613400 -225.426 44.4546 -261.134 -43.1639 251.767 22.9302 -177.339 190.793 188.755 PRESSAVG: 4613400 -13.2046 7.66661 -32.0384 7.66663 17.1551 -26.222 -32.0384 -26.2221 10.5192 GPRESSAVG: 4613400 -13.0253 9.18214 -30.1115 4.14868 16.7194 -25.8268 -32.5624 -27.2456 10.8614 TIMING: 4613400 CPU: 13697.6, 0.0029513/step Wall: 13697.6, 0.0029513/step, 0.316937 hours remaining, 208.347656 MB of memory in use. ENERGY: 4613400 730.8151 2053.7315 1934.8583 115.4951 -206454.6374 17849.7523 0.0000 0.0000 34357.4066 -149412.5785 300.0518 -183769.9851 -149312.7335 298.5758 41.0571 71.6985 557453.1749 4.8232 4.8519 PRESSURE: 4613600 -19.2936 137.375 77.3104 137.375 20.5147 -21.0945 77.3101 -21.0944 99.1164 GPRESSURE: 4613600 5.87276 115.665 34.174 62.6044 84.1596 -65.4247 49.4895 -50.3519 100.921 PRESSAVG: 4613600 -34.6891 14.1441 -27.1584 14.1441 -5.37511 -36.7737 -27.1583 -36.7737 76.3486 GPRESSAVG: 4613600 -35.1962 15.5132 -28.3214 13.2545 -4.89805 -33.676 -25.8737 -37.1158 76.7893 TIMING: 4613600 CPU: 13698.2, 0.00292122/step Wall: 13698.2, 0.00292122/step, 0.313545 hours remaining, 208.347656 MB of memory in use. ENERGY: 4613600 742.2564 2064.0361 1919.4602 99.6235 -206161.2898 17817.3477 0.0000 0.0000 34073.4958 -149445.0702 297.5723 -183518.5660 -149346.5371 298.2843 33.4458 63.6511 557392.0314 12.0948 12.2317 PRESSURE: 4613800 -211.426 -37.8906 -40.868 -37.8888 10.505 -104.704 -40.8681 -104.706 -111.526 GPRESSURE: 4613800 -139.619 -111.272 -43.2054 -40.2686 12.4027 -40.8137 -50.3112 -79.5941 -82.1275 PRESSAVG: 4613800 40.178 -60.3472 -4.45279 -60.3471 3.54808 -11.1453 -4.45286 -11.1454 25.3882 GPRESSAVG: 4613800 40.6207 -62.639 -3.62199 -58.1451 3.53243 -13.0998 -7.30009 -11.4084 25.0057 TIMING: 4613800 CPU: 13698.7, 0.00292594/step Wall: 13698.7, 0.00292594/step, 0.313889 hours remaining, 208.347656 MB of memory in use. ENERGY: 4613800 771.8742 2116.0442 1917.1802 110.4871 -206273.4009 17777.7769 0.0000 0.0000 34111.2012 -149468.8372 297.9016 -183580.0384 -149372.6803 298.9059 -104.1488 -69.7812 558256.9875 23.0381 23.0529 PRESSURE: 4614000 -173.031 34.6352 189.058 34.6351 209.44 68.8476 189.058 68.8465 198.459 GPRESSURE: 4614000 -111.269 72.2507 122.702 7.15801 218.897 13.3441 236.76 64.4605 224.442 PRESSAVG: 4614000 -11.0231 17.8739 50.6052 17.8739 44.9268 -66.438 50.6052 -66.4379 -33.4501 GPRESSAVG: 4614000 -10.3836 19.0434 51.2917 15.6966 44.2342 -66.9196 51.7962 -67.7443 -32.6019 TIMING: 4614000 CPU: 13699.3, 0.0029081/step Wall: 13699.3, 0.0029081/step, 0.311813 hours remaining, 208.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4614000 741.0825 2027.7202 1921.9911 116.5403 -206299.4209 18030.1898 0.0000 0.0000 33994.6524 -149467.2446 296.8838 -183461.8970 -149372.6307 298.6671 78.2893 110.6899 558460.2435 0.1512 0.4163 PRESSURE: 4614200 12.2917 100.993 -9.33316 100.995 180.041 139.481 -9.33297 139.481 169.331 GPRESSURE: 4614200 24.3773 -37.4597 -7.54331 218.626 219.366 228.334 31.6262 204.114 226.646 PRESSAVG: 4614200 -21.334 33.918 -29.7546 33.918 6.72844 36.9471 -29.7546 36.9471 -39.9744 GPRESSAVG: 4614200 -22.0698 34.4097 -30.7372 34.7538 7.02856 36.7774 -30.145 39.0464 -40.053 TIMING: 4614200 CPU: 13699.9, 0.00291583/step Wall: 13699.9, 0.00291583/step, 0.312479 hours remaining, 208.347656 MB of memory in use. ENERGY: 4614200 743.6671 2140.2539 1911.2236 119.2022 -206519.9965 18135.1840 0.0000 0.0000 34126.7676 -149343.6981 298.0375 -183470.4657 -149243.9033 298.9054 120.5545 156.7963 556612.5910 -18.1933 -18.3648 PRESSURE: 4614400 -81.0624 -105.499 67.592 -105.5 -127.4 -168.745 67.5919 -168.746 -28.2348 GPRESSURE: 4614400 -35.1251 -74.666 126.013 -106.559 -127.326 -84.618 59.9241 -211.187 25.4604 PRESSAVG: 4614400 -7.1059 -2.72435 -39.1219 -2.72427 16.3773 -22.197 -39.1219 -22.1969 -8.47275 GPRESSAVG: 4614400 -7.10467 -2.95261 -38.1021 -2.30334 17.3757 -23.431 -37.9796 -21.6467 -9.64595 TIMING: 4614400 CPU: 13700.5, 0.00290755/step Wall: 13700.5, 0.00290755/step, 0.311431 hours remaining, 208.347656 MB of memory in use. ENERGY: 4614400 764.4213 2115.1244 1942.1918 113.2818 -206205.8398 17722.2488 0.0000 0.0000 34207.6872 -149340.8845 298.7442 -183548.5716 -149242.3783 298.8351 -78.8990 -45.6636 556097.7821 0.2662 0.2083 PRESSURE: 4614600 -23.473 30.721 70.7876 30.7209 66.5898 314.847 70.7876 314.849 -189.681 GPRESSURE: 4614600 -19.7809 21.3054 63.4453 15.5413 112.852 289.88 125.159 273.922 -136.45 PRESSAVG: 4614600 -41.5266 6.13398 36.7915 6.13398 35.8653 15.6237 36.7915 15.6238 68.8699 GPRESSAVG: 4614600 -42.3237 7.12698 39.0798 5.69305 35.9333 14.2033 35.6927 16.3054 68.9716 TIMING: 4614600 CPU: 13701.1, 0.00293368/step Wall: 13701.1, 0.00293368/step, 0.314066 hours remaining, 208.347656 MB of memory in use. ENERGY: 4614600 721.0843 2093.8381 1924.9281 125.1784 -205921.5085 17642.9455 0.0000 0.0000 34130.4501 -149283.0841 298.0697 -183413.5342 -149189.5708 299.1178 -48.8548 -14.4594 556729.1991 21.0695 20.8604 PRESSURE: 4614800 -62.7087 -56.4167 97.9337 -56.4158 -74.3935 24.8289 97.9331 24.8285 26.2234 GPRESSURE: 4614800 -24.2531 -90.7946 77.1894 -25.2333 -102.534 101.578 15.399 104.657 97.551 PRESSAVG: 4614800 -41.8173 -10.6573 -31.0229 -10.6572 -1.27011 16.2533 -31.023 16.2532 31.0857 GPRESSAVG: 4614800 -40.7751 -12.8288 -35.2016 -9.74183 -2.71828 19.0852 -28.8334 14.5077 31.1385 TIMING: 4614800 CPU: 13701.7, 0.00291121/step Wall: 13701.7, 0.00291121/step, 0.3115 hours remaining, 208.347656 MB of memory in use. ENERGY: 4614800 725.0558 2126.9307 1927.1713 111.7127 -206035.9020 17654.8158 0.0000 0.0000 34440.9466 -149049.2692 300.7814 -183490.2157 -148954.6534 299.5928 -36.9596 -9.7453 557162.3944 -4.0006 -4.1183 PRESSURE: 4615000 -38.8781 -6.71922 -56.8574 -6.72 88.5391 151.14 -56.857 151.139 163.129 GPRESSURE: 4615000 5.2416 -10.2997 -41.8148 -37.4299 140.724 195.147 -61.9863 100.992 149.247 PRESSAVG: 4615000 -24.2044 -26.8641 -35.8035 -26.864 -13.5033 9.68862 -35.8035 9.68853 69.4827 GPRESSAVG: 4615000 -24.8327 -25.3927 -34.3797 -29.1992 -13.1847 9.85853 -36.5588 10.1376 70.1945 TIMING: 4615000 CPU: 13702.2, 0.00290392/step Wall: 13702.2, 0.00290392/step, 0.310559 hours remaining, 208.347656 MB of memory in use. ENERGY: 4615000 739.0821 2114.8563 1909.4552 102.1261 -206213.4765 17926.1574 0.0000 0.0000 34184.6110 -149237.1884 298.5427 -183421.7994 -149142.3924 298.4986 70.9300 98.4042 556942.7796 10.5917 10.7257 PRESSURE: 4615200 1.32729 157.374 141.756 157.375 -58.3497 68.3364 141.757 68.3367 93.7216 GPRESSURE: 4615200 75.7627 161.167 259.141 82.6527 -38.2744 62.7633 114.388 79.7322 90.5628 PRESSAVG: 4615200 -6.77281 48.2006 30.8296 48.2006 -36.6789 38.0648 30.8295 38.0648 10.6629 GPRESSAVG: 4615200 -5.47735 47.4093 31.5135 50.0546 -37.0465 36.5114 29.2506 35.6894 10.1529 TIMING: 4615200 CPU: 13702.8, 0.00292991/step Wall: 13702.8, 0.00292991/step, 0.313174 hours remaining, 208.347656 MB of memory in use. ENERGY: 4615200 739.9425 2080.0803 1922.7362 99.3654 -206364.3506 17912.5872 0.0000 0.0000 34344.7899 -149264.8491 299.9416 -183609.6390 -149173.7850 298.2347 12.2331 42.6837 557042.3824 -10.9296 -10.7903 PRESSURE: 4615400 -183.034 90.4489 -44.6432 90.4481 -417.088 2.88171 -44.6443 2.88069 -234.643 GPRESSURE: 4615400 -141.668 77.8696 54.2385 137.39 -361.636 -39.2544 -83.283 -28.8158 -224.934 PRESSAVG: 4615400 36.8822 37.6527 46.2295 37.6528 -34.3588 24.2498 46.2295 24.2498 5.92453 GPRESSAVG: 4615400 36.128 37.9673 46.7821 37.5978 -33.8117 24.8942 47.4233 25.9451 5.9175 TIMING: 4615400 CPU: 13703.4, 0.00294193/step Wall: 13703.4, 0.00294193/step, 0.314296 hours remaining, 208.347656 MB of memory in use. ENERGY: 4615400 763.3921 2122.8207 1941.0551 99.9473 -205812.6618 17498.3783 0.0000 0.0000 33993.4484 -149393.6198 296.8732 -183387.0682 -149299.2224 298.8622 -278.2550 -242.7464 557655.8222 2.8160 2.7446 PRESSURE: 4615600 12.4946 149.41 -10.5471 149.411 74.7098 132.878 -10.5472 132.877 -48.5976 GPRESSURE: 4615600 14.823 50.028 -22.1539 147.27 87.5376 126.333 -1.04495 64.4062 25.5908 PRESSAVG: 4615600 -21.3249 17.1302 9.75801 17.1302 -34.6281 16.8402 9.75799 16.8402 10.5323 GPRESSAVG: 4615600 -22.1627 16.6529 10.2283 17.8707 -34.2366 16.2177 8.39851 15.8656 10.878 TIMING: 4615600 CPU: 13704, 0.0029637/step Wall: 13704, 0.0029637/step, 0.316457 hours remaining, 208.347656 MB of memory in use. ENERGY: 4615600 700.5236 2114.9592 1925.1091 109.2891 -206128.8709 17681.3572 0.0000 0.0000 34367.1704 -149230.4623 300.1370 -183597.6327 -149127.7005 299.3593 12.8689 42.6505 556391.0764 -15.1402 -15.1738 PRESSURE: 4615800 -78.1095 -54.6709 42.5453 -54.6716 -132.482 114.543 42.5451 114.544 -7.90799 GPRESSURE: 4615800 -48.5241 -19.1929 68.5991 58.7211 -88.9533 111.904 80.292 130.334 7.39738 PRESSAVG: 4615800 -34.566 -5.02473 25.6134 -5.02465 -9.64101 -14.4986 25.6134 -14.4987 34.7775 GPRESSAVG: 4615800 -33.74 -4.06532 25.725 -3.61367 -10.5333 -14.4204 28.3043 -14.3934 34.9664 TIMING: 4615800 CPU: 13704.6, 0.00295285/step Wall: 13704.6, 0.00295285/step, 0.315135 hours remaining, 208.347656 MB of memory in use. ENERGY: 4615800 759.1583 2090.9543 1898.4040 108.8752 -206139.1505 17604.1368 0.0000 0.0000 34310.0379 -149367.5839 299.6381 -183677.6218 -149278.3142 300.0790 -72.8333 -43.3600 555255.7159 -3.1432 -3.1023 PRESSURE: 4616000 -99.5437 -118.651 -169.297 -118.652 -161.176 -184.515 -169.296 -184.515 144.154 GPRESSURE: 4616000 -53.963 -62.8653 -228.192 -165.943 -183.74 -210.449 -66.4758 -168.76 216.009 PRESSAVG: 4616000 -5.42439 15.2705 2.14239 15.2704 17.7887 17.304 2.14246 17.304 -15.3274 GPRESSAVG: 4616000 -4.51264 13.8898 -0.361492 13.1603 17.3725 17.4518 0.737361 17.6353 -15.3221 TIMING: 4616000 CPU: 13705.2, 0.00294515/step Wall: 13705.2, 0.00294515/step, 0.314149 hours remaining, 208.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4616000 741.4531 2078.2172 1932.1713 119.0294 -206077.3543 17731.7393 0.0000 0.0000 34222.9302 -149251.8138 298.8774 -183474.7440 -149150.7627 299.8225 -38.8551 -7.2314 556355.4897 -0.9877 -0.8208 PRESSURE: 4616200 40.0154 10.4161 -66.8932 10.4157 -31.9282 115.956 -66.8927 115.957 -14.2539 GPRESSURE: 4616200 74.9993 -29.6238 -54.8788 -25.8011 21.4042 70.1912 61.3846 78.8285 10.2313 PRESSAVG: 4616200 -65.9223 8.14614 54.5469 8.14614 10.8475 27.2531 54.5468 27.2532 53.9849 GPRESSAVG: 4616200 -68.8657 8.81318 56.2824 8.11353 13.1851 28.0101 51.1812 26.7577 55.0151 TIMING: 4616200 CPU: 13705.8, 0.00297445/step Wall: 13705.8, 0.00297445/step, 0.317109 hours remaining, 208.347656 MB of memory in use. ENERGY: 4616200 736.8638 2118.3881 1938.7070 118.1462 -206248.5277 17667.2511 0.0000 0.0000 34463.7168 -149205.4545 300.9802 -183669.1714 -149109.2524 299.5934 -2.0556 35.5449 556962.9271 -0.3633 -0.2218 LDB: ============= START OF LOAD BALANCING ============== 13709.3 LDB: ============== END OF LOAD BALANCING =============== 13709.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13709.3 LDB: ============= START OF LOAD BALANCING ============== 13709.6 LDB: Largest compute 4801 load 0.020544 is 17.4% of average load 0.118287 LDB: Average compute 0.001735 is 1.5% of average load 0.118287 LDB: TIME 13709.6 LOAD: AVG 0.118287 MAX 0.198995 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.402 MB LDB: TIME 13709.6 LOAD: AVG 0.118287 MAX 0.198995 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.402 MB LDB: TIME 13709.6 LOAD: AVG 0.118287 MAX 0.198995 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.402 MB LDB: ============== END OF LOAD BALANCING =============== 13709.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13709.6 PRESSURE: 4616400 -44.5289 -81.5166 301.515 -81.5176 -101.273 -21.4278 301.516 -21.4287 -137.281 GPRESSURE: 4616400 -19.6806 -73.7491 291.296 3.76637 -45.1906 -51.5355 226.432 72.247 -128.528 PRESSAVG: 4616400 37.3401 -3.46703 4.62629 -3.46705 -32.7195 -13.4995 4.62624 -13.4994 -37.5592 GPRESSAVG: 4616400 39.0655 -3.94283 4.2361 -3.10135 -34.369 -15.8942 7.34021 -11.0038 -37.9571 TIMING: 4616400 CPU: 13706.4, 0.00301421/step Wall: 13706.4, 0.00301421/step, 0.32118 hours remaining, 209.382812 MB of memory in use. ENERGY: 4616400 713.9427 2116.2356 1932.7645 114.5345 -206103.6082 17667.4632 0.0000 0.0000 34253.1391 -149305.5285 299.1412 -183558.6677 -149211.3048 298.6804 -94.3608 -64.4664 557590.8112 -10.9795 -11.0869 PRESSURE: 4616600 81.5929 -19.1767 19.0409 -19.1772 67.8839 85.0226 19.0408 85.0217 16.7606 GPRESSURE: 4616600 107.849 -7.8108 -117.058 36.4341 96.215 66.8204 0.172212 -8.18514 48.9991 PRESSAVG: 4616600 -2.62937 48.4812 36.0309 48.4812 -6.83979 -1.21357 36.0309 -1.21356 35.1973 GPRESSAVG: 4616600 -3.19942 47.8161 36.6539 49.585 -6.3241 0.788303 36.0659 -3.86625 34.9563 TIMING: 4616600 CPU: 13707, 0.00295763/step Wall: 13707, 0.00295763/step, 0.314988 hours remaining, 209.382812 MB of memory in use. ENERGY: 4616600 739.9131 2076.3311 1922.0137 120.1932 -206572.3705 18096.1424 0.0000 0.0000 34214.4166 -149403.3603 298.8030 -183617.7768 -149310.7471 299.0810 55.4125 84.3545 558716.8842 8.5761 8.4776 PRESSURE: 4616800 113.342 3.66 44.477 3.65966 -11.3505 113.55 44.4759 113.55 145.414 GPRESSURE: 4616800 175.139 -75.2559 -20.7843 69.8067 -34.7113 105.316 15.9303 92.7243 195.67 PRESSAVG: 4616800 65.4434 -25.2507 28.3513 -25.2508 -108.75 11.6294 28.3514 11.6294 33.1089 GPRESSAVG: 4616800 65.6428 -24.8678 28.4444 -26.629 -108.017 11.5688 27.6443 10.8228 32.7164 TIMING: 4616800 CPU: 13707.6, 0.00295735/step Wall: 13707.6, 0.00295735/step, 0.314793 hours remaining, 209.382812 MB of memory in use. ENERGY: 4616800 749.7579 2094.4201 1951.2341 115.1011 -206468.1636 17992.1215 0.0000 0.0000 34055.5716 -149509.9573 297.4158 -183565.5288 -149426.2030 297.9342 82.4683 112.0326 555342.8979 -3.3991 -3.2193 PRESSURE: 4617000 73.9856 15.5625 -65.021 15.5626 226.017 111.159 -65.0191 111.159 -172.574 GPRESSURE: 4617000 104.619 0.175109 -41.9794 34.5227 261.308 161.98 -131.53 95.0792 -133.932 PRESSAVG: 4617000 33.1336 -6.41745 20.0225 -6.41741 -77.7462 18.7377 20.0227 18.7376 54.0735 GPRESSAVG: 4617000 33.7803 -6.21834 19.9831 -5.97569 -78.7017 18.6401 19.9327 20.3653 54.3839 TIMING: 4617000 CPU: 13708.2, 0.00295096/step Wall: 13708.2, 0.00295096/step, 0.313949 hours remaining, 209.382812 MB of memory in use. ENERGY: 4617000 751.2724 2039.6973 1945.8323 104.1852 -206408.6881 17817.4632 0.0000 0.0000 34215.5215 -149534.7162 298.8127 -183750.2377 -149437.9241 298.6739 42.4759 77.3316 556625.4786 3.1536 3.1542 PRESSURE: 4617200 20.7485 -110.932 100.461 -110.933 -312.277 -2.36988 100.46 -2.37098 -105.047 GPRESSURE: 4617200 39.5801 -152.289 47.8378 -48.3908 -229.511 25.9851 136.027 -54.3956 -104.631 PRESSAVG: 4617200 50.5528 -22.6007 7.71908 -22.6008 -61.4325 -47.8668 7.71907 -47.8668 -52.7699 GPRESSAVG: 4617200 50.8093 -21.7867 7.34563 -24.0992 -60.415 -50.1566 7.73822 -48.1714 -53.9691 TIMING: 4617200 CPU: 13708.7, 0.00293664/step Wall: 13708.7, 0.00293664/step, 0.312263 hours remaining, 209.382812 MB of memory in use. ENERGY: 4617200 783.4356 2100.4294 1926.8452 124.5647 -205994.4588 17467.2115 0.0000 0.0000 34253.5054 -149338.4671 299.1444 -183591.9725 -149236.6243 299.0824 -132.1921 -98.1871 557015.9506 -21.2165 -21.1916 PRESSURE: 4617400 15.8966 105.062 2.45605 105.062 -138.52 -122.923 2.45461 -122.921 -218.941 GPRESSURE: 4617400 80.9355 28.9155 36.9116 42.8474 -136.569 -127.09 -37.0863 -134.281 -192.65 PRESSAVG: 4617400 23.4844 -26.5513 -2.45318 -26.5512 -90.6076 -63.7656 -2.45315 -63.7657 17.1415 GPRESSAVG: 4617400 24.2438 -26.119 -2.99329 -27.1514 -92.5168 -63.5268 -1.37182 -64.3568 18.8286 TIMING: 4617400 CPU: 13709.3, 0.00292509/step Wall: 13709.3, 0.00292509/step, 0.310872 hours remaining, 209.382812 MB of memory in use. ENERGY: 4617400 738.8968 2071.3693 1942.0009 114.5051 -205570.3559 17359.4592 0.0000 0.0000 34056.5219 -149287.6027 297.4241 -183344.1247 -149196.0585 298.5729 -113.8547 -82.7612 556924.2961 -16.6606 -16.4815 PRESSURE: 4617600 -293.46 -25.4557 -93.0565 -25.4558 -67.0407 -67.3614 -93.0562 -67.3617 -2.56089 GPRESSURE: 4617600 -256.252 -93.497 -72.0731 -2.90012 -25.6981 -159.853 -134.468 -29.5721 25.2908 PRESSAVG: 4617600 -21.4861 12.4435 5.3681 12.4435 0.290764 -4.39902 5.36811 -4.39907 38.5712 GPRESSAVG: 4617600 -21.5247 14.4003 4.74062 10.7272 1.93975 -4.25729 7.3114 -3.15522 36.9995 TIMING: 4617600 CPU: 13709.9, 0.00292482/step Wall: 13709.9, 0.00292482/step, 0.310681 hours remaining, 209.382812 MB of memory in use. ENERGY: 4617600 726.4436 2046.7422 1957.6842 127.5097 -205920.8401 17474.5677 0.0000 0.0000 34297.5777 -149290.3150 299.5293 -183587.8927 -149188.6757 298.8913 -121.0206 -85.5533 556734.4034 5.7919 5.8048 PRESSURE: 4617800 195.904 49.7975 -23.2222 49.7965 43.9639 159.257 -23.2234 159.255 -40.2712 GPRESSURE: 4617800 223.962 4.49418 -54.6931 42.2545 82.9041 158 -8.06895 137.152 -7.94443 PRESSAVG: 4617800 -17.4285 -27.2472 -32.1009 -27.2472 0.763502 -13.9387 -32.101 -13.9388 19.0337 GPRESSAVG: 4617800 -17.4831 -28.1623 -28.7236 -24.3556 1.04259 -11.2316 -35.3012 -14.023 19.0693 TIMING: 4617800 CPU: 13710.5, 0.00296283/step Wall: 13710.5, 0.00296283/step, 0.314554 hours remaining, 209.382812 MB of memory in use. ENERGY: 4617800 749.9024 2044.6888 1910.0132 117.2442 -206297.6465 17899.2148 0.0000 0.0000 34309.9499 -149266.6332 299.6373 -183576.5831 -149167.7506 299.1590 66.5322 99.6405 557135.7806 0.7896 0.8763 PRESSURE: 4618000 -49.5873 -165.631 -4.13454 -165.629 -194.709 -104.781 -4.13471 -104.78 -77.2279 GPRESSURE: 4618000 -70.8205 -161.188 24.072 -141.47 -127.545 -167.717 -21.5492 -83.1984 -29.1911 PRESSAVG: 4618000 15.3684 -59.8294 -5.00312 -59.8294 39.5934 40.2401 -5.00317 40.2403 -13.7332 GPRESSAVG: 4618000 15.338 -59.8624 -7.01945 -61.0363 40.2464 37.5623 -2.43851 40.992 -14.0205 TIMING: 4618000 CPU: 13711.1, 0.00297337/step Wall: 13711.1, 0.00297337/step, 0.315508 hours remaining, 209.382812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4618000 735.7692 2067.3730 1929.0662 105.9909 -206042.0204 17618.6553 0.0000 0.0000 34263.5865 -149321.5794 299.2324 -183585.1658 -149227.6865 298.8859 -107.1748 -75.8522 557686.1251 13.7429 13.8547 PRESSURE: 4618200 -138.238 -121.084 -5.37531 -121.084 -187.509 -164.086 -5.37401 -164.086 -194.148 GPRESSURE: 4618200 -75.1352 -119.799 -16.4328 -122.321 -168.917 -64.8081 63.1328 -146.726 -170.711 PRESSAVG: 4618200 28.4026 -53.7106 0.743325 -53.7107 -19.6019 1.52605 0.743332 1.526 21.2144 GPRESSAVG: 4618200 28.4004 -53.8508 2.28787 -52.6966 -19.957 3.32691 -1.84854 0.332211 22.375 TIMING: 4618200 CPU: 13711.7, 0.00295744/step Wall: 13711.7, 0.00295744/step, 0.313653 hours remaining, 209.382812 MB of memory in use. ENERGY: 4618200 748.7086 2061.4113 1967.1335 111.0625 -206175.3496 17648.3073 0.0000 0.0000 34189.0269 -149449.6994 298.5813 -183638.7263 -149355.5369 298.3704 -173.2983 -138.2545 557581.4101 10.0050 10.2728 PRESSURE: 4618400 -35.803 95.2403 19.0778 95.2403 -124.058 -131.982 19.0794 -131.983 -145.019 GPRESSURE: 4618400 2.79673 39.2212 -13.7995 91.6563 -161.03 -37.1358 -52.8734 -154.898 -50.971 PRESSAVG: 4618400 21.6873 -10.2745 -11.585 -10.2744 -46.4918 -33.2738 -11.585 -33.2737 31.2609 GPRESSAVG: 4618400 21.904 -11.7219 -13.2012 -8.60921 -46.8962 -32.9455 -9.98008 -34.4775 31.6643 TIMING: 4618400 CPU: 13712.3, 0.00293786/step Wall: 13712.3, 0.00293786/step, 0.311413 hours remaining, 209.382812 MB of memory in use. ENERGY: 4618400 761.9216 2129.2100 1924.3612 102.4999 -206031.2660 17725.2073 0.0000 0.0000 34012.8741 -149375.1918 297.0429 -183388.0659 -149281.4726 297.8633 -101.6265 -69.7347 558781.6750 2.1522 2.2240 PRESSURE: 4618600 11.3856 -86.5143 109.826 -86.5161 103.313 34.0823 109.827 34.0823 61.5264 GPRESSURE: 4618600 10.4129 -50.4268 155.258 -63.7475 117.049 72.0423 -11.0408 -18.6693 153.689 PRESSAVG: 4618600 11.7317 -4.32781 49.3232 -4.32783 -35.1722 -52.8771 49.323 -52.8771 47.0939 GPRESSAVG: 4618600 11.1555 -3.63024 49.8606 -7.01826 -33.4931 -54.1698 48.1033 -52.4536 45.872 TIMING: 4618600 CPU: 13712.9, 0.00293852/step Wall: 13712.9, 0.00293852/step, 0.31132 hours remaining, 209.507812 MB of memory in use. ENERGY: 4618600 769.7305 2057.6038 1951.9769 125.5505 -206291.5847 17837.3747 0.0000 0.0000 34255.4927 -149293.8557 299.1617 -183549.3483 -149203.0214 299.5696 58.7416 93.7168 556917.8338 7.8845 7.8448 PRESSURE: 4618800 227.207 87.3782 17.3266 87.3781 260.189 105.183 17.327 105.183 8.20312 GPRESSURE: 4618800 258.995 28.9033 -5.51139 143.812 317.915 120.177 76.7044 174.635 21.8796 PRESSAVG: 4618800 77.2867 59.1474 18.8831 59.1474 -50.3889 -48.2495 18.8831 -48.2493 -18.3726 GPRESSAVG: 4618800 78.3518 59.4414 17.6779 61.1381 -51.0644 -46.1646 19.0143 -47.0998 -18.5237 TIMING: 4618800 CPU: 13713.5, 0.00294038/step Wall: 13713.5, 0.00294038/step, 0.311353 hours remaining, 209.507812 MB of memory in use. ENERGY: 4618800 740.9152 2106.8122 1944.0045 103.3395 -206572.7810 18095.7179 0.0000 0.0000 34159.9827 -149422.0090 298.3276 -183581.9917 -149326.2360 298.9641 165.1998 199.5967 555350.6674 2.8417 2.9212 PRESSURE: 4619000 -110.075 51.8473 95.8929 51.8478 303.802 -60.7457 95.8939 -60.7444 -106.691 GPRESSURE: 4619000 -5.85377 -19.5532 150.249 72.4925 263.368 -135.576 80.9349 -57.3594 -56.8776 PRESSAVG: 4619000 61.2999 41.6268 56.2946 41.6268 20.1922 26.8288 56.2946 26.8288 -77.2715 GPRESSAVG: 4619000 60.9111 39.738 58.6627 42.3929 19.536 25.3287 56.0139 26.2987 -75.6899 TIMING: 4619000 CPU: 13714, 0.00293475/step Wall: 13714, 0.00293475/step, 0.310594 hours remaining, 209.507812 MB of memory in use. ENERGY: 4619000 750.3528 2118.3816 1944.7832 107.7086 -206169.7566 17703.3988 0.0000 0.0000 34170.6089 -149374.5226 298.4204 -183545.1315 -149280.0393 299.0884 29.0119 66.8789 556396.1826 1.4068 1.5857 PRESSURE: 4619200 64.6713 -5.91636 56.7719 -5.91641 -239.796 30.6644 56.7727 30.6657 -123.379 GPRESSURE: 4619200 69.3075 37.7303 -3.30231 -76.7101 -209.36 79.3493 105.132 14.8125 -67.2113 PRESSAVG: 4619200 83.5119 4.78285 20.3908 4.78278 -58.0792 2.42385 20.3907 2.42383 -41.6443 GPRESSAVG: 4619200 84.4817 4.63514 17.7442 2.62999 -57.5288 1.85703 21.3167 3.17035 -42.968 TIMING: 4619200 CPU: 13714.6, 0.00293655/step Wall: 13714.6, 0.00293655/step, 0.310621 hours remaining, 209.507812 MB of memory in use. ENERGY: 4619200 722.6125 2111.2153 1952.5789 127.0855 -206511.1650 17904.2489 0.0000 0.0000 34168.8589 -149524.5651 298.4051 -183693.4240 -149424.8177 298.4667 -99.5013 -69.0878 557706.5057 -5.4039 -5.3384 PRESSURE: 4619400 -262.905 27.8276 -27.4517 27.8279 -57.8277 91.0371 -27.4503 91.0367 -16.6341 GPRESSURE: 4619400 -180.902 86.9147 13.4241 4.03757 -63.092 106.93 -3.28121 72.8174 9.17602 PRESSAVG: 4619400 30.7061 -27.4288 13.7863 -27.4288 -28.7545 -15.2584 13.7863 -15.2585 8.03019 GPRESSAVG: 4619400 29.7004 -27.1976 15.0396 -26.6749 -28.6272 -15.4673 13.5276 -17.1666 9.0301 TIMING: 4619400 CPU: 13715.2, 0.00297764/step Wall: 13715.2, 0.00297764/step, 0.314802 hours remaining, 209.507812 MB of memory in use. ENERGY: 4619400 730.6929 2166.3297 1910.6439 116.5001 -205982.8370 17557.8871 0.0000 0.0000 34199.8980 -149300.8853 298.6762 -183500.7833 -149199.4457 298.9888 -112.4558 -78.2725 557978.2178 3.3272 3.3678 PRESSURE: 4619600 -66.0518 -127.202 7.49919 -127.202 -198.952 23.511 7.49806 23.5107 -192.42 GPRESSURE: 4619600 25.817 -50.124 -109.612 -153.772 -176.266 20.474 -1.99825 -6.32643 -198.808 PRESSAVG: 4619600 -8.56484 -24.3401 -1.62252 -24.3401 -10.707 -28.5714 -1.62259 -28.5712 -6.21165 GPRESSAVG: 4619600 -9.51963 -22.1856 -2.83147 -24.3133 -9.59293 -26.923 -0.396603 -27.6502 -5.4072 TIMING: 4619600 CPU: 13715.8, 0.00293499/step Wall: 13715.8, 0.00293499/step, 0.310131 hours remaining, 209.507812 MB of memory in use. ENERGY: 4619600 729.5233 2152.3497 1918.4186 112.4009 -205741.4854 17579.4973 0.0000 0.0000 34218.4652 -149030.8303 298.8384 -183249.2955 -148928.6170 298.8469 -152.4749 -116.4190 558232.2768 -8.4945 -8.1733 PRESSURE: 4619800 192.873 -155.844 -64.364 -155.843 -19.4891 112.147 -64.3648 112.147 -51.3342 GPRESSURE: 4619800 231.115 -131.129 -56.275 -129.404 23.527 137.104 -19.056 78.2227 -25.1962 PRESSAVG: 4619800 -14.3443 -18.5775 20.8359 -18.5775 -2.84961 -21.8523 20.8361 -21.8523 8.70687 GPRESSAVG: 4619800 -14.5157 -20.1761 22.5742 -17.7917 -3.11842 -23.6963 19.6967 -22.3754 7.9939 TIMING: 4619800 CPU: 13716.4, 0.00294156/step Wall: 13716.4, 0.00294156/step, 0.310661 hours remaining, 209.507812 MB of memory in use. ENERGY: 4619800 752.5148 2110.4077 1934.9625 106.8352 -205957.9965 17807.9545 0.0000 0.0000 34188.0448 -149057.2771 298.5727 -183245.3219 -148963.5535 298.8745 40.6831 76.4820 558350.2708 -2.8290 -3.2134 PRESSURE: 4620000 -32.8726 45.6825 -44.6187 45.6834 3.91205 2.73938 -44.6185 2.74025 -49.3828 GPRESSURE: 4620000 -25.9805 46.0046 -31.2476 66.5081 70.2707 36.6695 25.1886 63.2737 -14.4107 PRESSAVG: 4620000 62.2881 -18.6944 -9.31018 -18.6943 -102.941 -18.4489 -9.31036 -18.4489 -23.8674 GPRESSAVG: 4620000 62.3567 -17.2618 -11.9791 -21.1619 -103.993 -17.3307 -8.6276 -17.029 -22.6697 TIMING: 4620000 CPU: 13717, 0.00294746/step Wall: 13717, 0.00294746/step, 0.311121 hours remaining, 209.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4620000 741.7573 2119.1914 1920.2286 114.1599 -206012.2290 17817.9436 0.0000 0.0000 34291.9111 -149007.0370 299.4798 -183298.9481 -148911.8190 298.6232 -26.1144 9.9598 560264.4342 -21.5067 -21.4355 PRESSURE: 4620200 111.958 95.5606 -133.603 95.5605 89.4231 -137.95 -133.603 -137.951 -79.9763 GPRESSURE: 4620200 167.517 108.126 -82.8828 134.179 92.3674 -271.282 -130.607 -92.7559 -40.2444 PRESSAVG: 4620200 41.1513 -11.3218 -0.721722 -11.3219 -23.8053 2.59565 -0.721667 2.59561 0.991299 GPRESSAVG: 4620200 40.2285 -10.8594 2.44243 -9.69079 -24.4406 3.57663 -3.23165 1.61597 2.51611 TIMING: 4620200 CPU: 13717.6, 0.00293361/step Wall: 13717.6, 0.00293361/step, 0.309496 hours remaining, 209.507812 MB of memory in use. ENERGY: 4620200 738.7167 2083.3786 1891.2470 105.4040 -205807.2876 17657.9655 0.0000 0.0000 34514.5416 -148816.0343 301.4241 -183330.5759 -148718.1569 299.6765 40.4681 73.2135 559539.3996 6.1124 6.1013 LDB: ============= START OF LOAD BALANCING ============== 13721.1 LDB: ============== END OF LOAD BALANCING =============== 13721.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13721.1 LDB: ============= START OF LOAD BALANCING ============== 13721.4 LDB: Largest compute 4801 load 0.021034 is 17.8% of average load 0.118222 LDB: Average compute 0.001742 is 1.5% of average load 0.118222 LDB: TIME 13721.4 LOAD: AVG 0.118222 MAX 0.195427 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.215 MB LDB: TIME 13721.4 LOAD: AVG 0.118222 MAX 0.195427 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.281 MB LDB: TIME 13721.4 LOAD: AVG 0.118222 MAX 0.195427 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.281 MB LDB: ============== END OF LOAD BALANCING =============== 13721.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13721.4 PRESSURE: 4620400 -150.675 -137.536 84.6505 -137.537 -149.496 -100.302 84.6503 -100.302 -14.2708 GPRESSURE: 4620400 -103.71 -111.279 115.988 -144.214 -85.8216 -102.501 7.36114 -69.0535 -28.043 PRESSAVG: 4620400 -17.9049 -93.7022 -12.3467 -93.702 -7.64267 -16.0635 -12.3466 -16.0636 -2.12812 GPRESSAVG: 4620400 -16.3174 -94.5221 -13.2737 -93.7029 -7.7504 -17.4964 -10.8479 -15.3338 -3.64735 TIMING: 4620400 CPU: 13718.2, 0.00297168/step Wall: 13718.2, 0.00297168/step, 0.313347 hours remaining, 209.578125 MB of memory in use. ENERGY: 4620400 737.0681 2063.9774 1936.1574 103.4127 -205666.3941 17571.7565 0.0000 0.0000 34459.7732 -148794.2487 300.9458 -183254.0219 -148698.6825 300.2104 -104.8139 -72.5249 558025.3507 -9.2252 -9.2384 PRESSURE: 4620600 243.42 -62.2536 -4.55762 -62.2541 -37.4461 -65.3905 -4.55826 -65.3907 22.8868 GPRESSURE: 4620600 273.25 -11.9424 -39.596 -66.783 -18.9343 -69.2638 -5.49767 -82.3531 68.6731 PRESSAVG: 4620600 20.4559 -25.7539 3.96658 -25.7538 13.1121 -61.4383 3.9666 -61.4384 23.2601 GPRESSAVG: 4620600 19.3392 -24.7286 3.50163 -25.1536 13.3348 -61.8452 2.67844 -61.2686 24.6423 TIMING: 4620600 CPU: 13718.8, 0.0029063/step Wall: 13718.8, 0.0029063/step, 0.306292 hours remaining, 209.578125 MB of memory in use. ENERGY: 4620600 721.8553 2154.2885 1933.1384 114.1777 -205662.6303 17703.3801 0.0000 0.0000 34328.8552 -148706.9352 299.8024 -183035.7904 -148609.5467 300.4253 76.2868 107.6628 558143.1967 18.9427 19.1054 PRESSURE: 4620800 -63.2392 80.5625 178.685 80.5627 -76.5012 -4.63972 178.684 -4.63916 71.4288 GPRESSURE: 4620800 -32.5462 68.7324 197.562 72.7088 -61.2948 -78.4325 198.09 -24.8778 119.277 PRESSAVG: 4620800 -16.499 -7.0732 13.7254 -7.07318 -26.4179 -39.3991 13.7254 -39.399 59.5376 GPRESSAVG: 4620800 -15.713 -6.03358 13.2726 -8.87259 -25.9614 -38.2362 16.5101 -38.7672 58.5793 TIMING: 4620800 CPU: 13719.3, 0.00289521/step Wall: 13719.3, 0.00289521/step, 0.304962 hours remaining, 209.578125 MB of memory in use. ENERGY: 4620800 774.8671 2085.7064 1934.2179 106.7870 -205872.2841 17735.0608 0.0000 0.0000 34418.2235 -148817.4213 300.5829 -183235.6449 -148719.1989 300.3702 -22.7706 8.4786 558802.7579 5.5402 5.6350 PRESSURE: 4621000 -92.6374 158.268 77.0352 158.269 -253.967 -59.5529 77.0341 -59.554 -381.051 GPRESSURE: 4621000 -61.409 93.1862 72.8517 254.556 -225.759 -11.5211 77.1233 -51.2821 -332.791 PRESSAVG: 4621000 94.1042 -21.429 20.7298 -21.429 -51.8096 -52.6884 20.7298 -52.6885 -8.28288 GPRESSAVG: 4621000 94.2303 -24.7624 21.3955 -20.9903 -51.9438 -53.5553 19.1751 -53.2722 -8.3222 TIMING: 4621000 CPU: 13719.9, 0.00292238/step Wall: 13719.9, 0.00292238/step, 0.307662 hours remaining, 209.578125 MB of memory in use. ENERGY: 4621000 778.4637 2044.0852 1957.3090 117.1050 -205667.4925 17580.3384 0.0000 0.0000 34335.7536 -148854.4375 299.8627 -183190.1911 -148758.7994 300.4008 -242.5518 -206.6531 558846.2088 11.3372 11.3214 PRESSURE: 4621200 -366.312 135.634 15.0983 135.634 -261.434 -52.4236 15.0979 -52.4236 -10.5393 GPRESSURE: 4621200 -343.952 130.869 54.6597 187.715 -211.172 -55.6812 -5.58984 34.7513 19.5242 PRESSAVG: 4621200 75.4497 -2.17212 -72.6705 -2.17215 -83.0267 -48.6462 -72.6705 -48.6462 37.0561 GPRESSAVG: 4621200 75.4507 -0.206628 -73.0581 -1.45091 -83.245 -48.3672 -73.2798 -49.7189 37.5762 TIMING: 4621200 CPU: 13720.5, 0.00291379/step Wall: 13720.5, 0.00291379/step, 0.306595 hours remaining, 209.710938 MB of memory in use. ENERGY: 4621200 730.7434 2141.5023 1941.1368 111.3742 -205829.5628 17526.9275 0.0000 0.0000 34340.3604 -149037.5182 299.9029 -183377.8786 -148937.3740 300.1224 -212.7618 -178.5333 558152.2108 9.8263 9.9273 PRESSURE: 4621400 94.824 -73.7265 11.6903 -73.7257 67.1683 -56.4407 11.6897 -56.441 -174.336 GPRESSURE: 4621400 126.117 -99.0566 19.7941 -26.385 92.1824 -33.1465 -2.51168 -21.6485 -132.269 PRESSAVG: 4621400 62.6776 8.49916 -14.5574 8.49907 -41.5251 16.8646 -14.5574 16.8645 -5.04533 GPRESSAVG: 4621400 63.004 8.46399 -12.9661 9.0747 -40.9976 16.6068 -12.4737 16.2927 -5.52803 TIMING: 4621400 CPU: 13721.1, 0.00293626/step Wall: 13721.1, 0.00293626/step, 0.308796 hours remaining, 209.710938 MB of memory in use. ENERGY: 4621400 757.5235 2084.9904 1931.3168 117.9580 -206123.8961 17821.2376 0.0000 0.0000 34435.5052 -148975.3648 300.7338 -183410.8699 -148880.1775 300.2115 -4.1146 28.6765 556629.7672 5.3690 5.4928 PRESSURE: 4621600 -87.9538 45.0754 107.303 45.0753 -284.834 81.3298 107.302 81.3291 23.2184 GPRESSURE: 4621600 -101.553 9.42999 108.508 -73.8565 -240.606 125.424 140.557 40.9558 97.6467 PRESSAVG: 4621600 -10.1983 -21.3354 -43.1448 -21.3354 31.255 35.8121 -43.1448 35.812 -5.9128 GPRESSAVG: 4621600 -10.5974 -21.7122 -43.9719 -20.3173 30.4412 35.3725 -43.6346 37.6747 -4.6505 TIMING: 4621600 CPU: 13721.7, 0.00291973/step Wall: 13721.7, 0.00291973/step, 0.306896 hours remaining, 209.710938 MB of memory in use. ENERGY: 4621600 778.7375 2087.6832 1938.2277 109.0877 -206072.0917 17612.9209 0.0000 0.0000 34301.1417 -149244.2930 299.5604 -183545.4346 -149142.2330 299.9138 -116.5231 -81.5041 556423.1270 5.0479 5.0645 PRESSURE: 4621800 -3.83059 -17.7429 174.991 -17.7426 -276.746 81.889 174.989 81.8906 -226.488 GPRESSURE: 4621800 2.86358 -36.3239 140.685 17.3729 -173.74 159.693 50.4188 46.9844 -248.608 PRESSAVG: 4621800 -15.1156 -18.1239 -20.8914 -18.1238 -26.2111 27.5602 -20.8915 27.5603 42.556 GPRESSAVG: 4621800 -16.375 -17.4706 -21.9159 -19.3212 -25.2285 29.3814 -19.9791 24.8412 42.3631 TIMING: 4621800 CPU: 13722.3, 0.0029255/step Wall: 13722.3, 0.0029255/step, 0.30734 hours remaining, 209.710938 MB of memory in use. ENERGY: 4621800 740.3051 2093.8870 1940.6828 108.9814 -206282.3410 17654.5373 0.0000 0.0000 34392.7011 -149351.2464 300.3600 -183743.9475 -149259.0729 298.7059 -169.0214 -139.8283 557656.1059 0.4098 0.2532 PRESSURE: 4622000 -30.5242 -22.7662 12.0933 -22.7663 217.646 40.7213 12.0946 40.721 259.083 GPRESSURE: 4622000 58.4525 2.64535 27.0703 4.28002 217.406 37.4194 -42.6735 52.9709 273.911 PRESSAVG: 4622000 27.1417 -14.9296 -27.6189 -14.9295 -56.2447 -15.4903 -27.6188 -15.4902 45.1938 GPRESSAVG: 4622000 29.5002 -13.6064 -25.006 -16.5802 -57.7955 -14.608 -30.2854 -15.3689 44.6042 TIMING: 4622000 CPU: 13722.9, 0.00295692/step Wall: 13722.9, 0.00295692/step, 0.310476 hours remaining, 209.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4622000 741.7018 2069.4902 1915.5834 109.3405 -206388.5357 18044.9181 0.0000 0.0000 34185.4563 -149322.0454 298.5501 -183507.5017 -149229.1407 298.3930 148.7350 183.2567 557453.6028 5.3636 5.4363 PRESSURE: 4622200 72.8435 80.7909 124.574 80.7891 -81.8285 173.267 124.575 173.268 -383.904 GPRESSURE: 4622200 97.2488 57.9006 60.6659 33.6379 -25.3521 123.119 109.902 160.527 -364.178 PRESSAVG: 4622200 -29.8712 -12.2225 -19.3051 -12.2226 61.021 51.2346 -19.305 51.2346 -49.5451 GPRESSAVG: 4622200 -30.0436 -13.39 -18.8861 -10.8875 62.2322 49.6878 -17.1364 53.3855 -50.8445 TIMING: 4622200 CPU: 13723.4, 0.00293213/step Wall: 13723.4, 0.00293213/step, 0.307711 hours remaining, 209.710938 MB of memory in use. ENERGY: 4622200 786.6520 2050.1295 1948.6645 132.1396 -205976.2576 17700.7574 0.0000 0.0000 34063.2095 -149294.7052 297.4825 -183357.9147 -149200.7294 298.8459 -130.9630 -97.4271 558750.3656 -6.1317 -6.2187 PRESSURE: 4622400 -29.3426 58.7797 6.06477 58.7801 -122.394 73.2887 6.06507 73.288 -118.053 GPRESSURE: 4622400 4.52321 80.6813 -0.583975 50.2673 -76.3326 -18.3598 -28.2146 82.7603 -107.249 PRESSAVG: 4622400 1.79912 -38.4646 45.2482 -38.4645 99.1735 9.12961 45.2482 9.12979 -42.5814 GPRESSAVG: 4622400 1.22733 -37.9268 41.7389 -37.7894 100.346 7.77966 45.5913 10.3972 -43.1836 TIMING: 4622400 CPU: 13724, 0.00290407/step Wall: 13724, 0.00290407/step, 0.304605 hours remaining, 209.710938 MB of memory in use. ENERGY: 4622400 757.4351 2093.6992 1925.7886 116.7001 -206114.3048 17700.0418 0.0000 0.0000 34315.9212 -149204.7187 299.6895 -183520.6400 -149114.0844 299.2030 -89.9301 -59.6861 557989.9641 19.4637 19.4632 PRESSURE: 4622600 151.5 143 15.7861 143 88.9593 -99.529 15.7875 -99.5299 -7.2419 GPRESSURE: 4622600 214.4 143.822 5.05386 202.948 97.5742 -72.3657 -3.82161 -104.782 30.5842 PRESSAVG: 4622600 41.8184 -70.8932 48.0249 -70.8931 -44.4196 -7.75772 48.0249 -7.75781 12.0392 GPRESSAVG: 4622600 41.5986 -73.372 48.5953 -71.1994 -45.9126 -4.74962 46.7693 -10.5241 13.6637 TIMING: 4622600 CPU: 13724.6, 0.00292803/step Wall: 13724.6, 0.00292803/step, 0.306955 hours remaining, 209.710938 MB of memory in use. ENERGY: 4622600 769.3367 2096.1271 1949.3887 116.7797 -206546.4985 18023.5022 0.0000 0.0000 34378.4794 -149212.8847 300.2358 -183591.3642 -149115.1994 299.0236 77.7392 114.1863 556732.8702 3.1460 3.1166 PRESSURE: 4622800 -179.432 -35.9757 54.8271 -35.9762 136.31 52.1756 54.8261 52.1766 171.895 GPRESSURE: 4622800 -101.663 -51.4827 64.8045 -67.3767 116.148 41.9285 97.3105 14.4421 212.894 PRESSAVG: 4622800 13.3725 -4.63025 -8.83977 -4.63025 15.2084 -10.1886 -8.83974 -10.1886 32.0905 GPRESSAVG: 4622800 12.9984 -1.91502 -7.79617 -4.39426 15.9696 -12.5533 -8.53143 -9.07422 31.6265 TIMING: 4622800 CPU: 13725.2, 0.00292896/step Wall: 13725.2, 0.00292896/step, 0.30689 hours remaining, 209.710938 MB of memory in use. ENERGY: 4622800 761.0474 2078.6846 1948.0219 112.0402 -206348.1932 17932.1601 0.0000 0.0000 34330.1520 -149186.0870 299.8138 -183516.2390 -149096.1921 299.8122 42.9244 75.7929 556522.8814 20.2238 20.1982 PRESSURE: 4623000 186.215 -101.369 -60.1467 -101.37 -246.32 -35.2308 -60.1467 -35.2295 34.5643 GPRESSURE: 4623000 159.001 -73.8449 -58.8947 -108.05 -210.238 20.3792 -34.7246 -31.5309 116.157 PRESSAVG: 4623000 54.9772 -16.2387 1.41644 -16.2387 -10.5729 1.13228 1.41644 1.13235 6.0922 GPRESSAVG: 4623000 55.4788 -17.5587 0.508126 -15.2191 -11.5994 1.30925 4.23607 1.34668 6.78008 TIMING: 4623000 CPU: 13725.8, 0.00292823/step Wall: 13725.8, 0.00292823/step, 0.306651 hours remaining, 209.710938 MB of memory in use. ENERGY: 4623000 768.1380 2149.5645 1935.9009 105.2480 -206255.9771 17924.9852 0.0000 0.0000 34168.6764 -149203.4642 298.4035 -183372.1406 -149107.0184 299.5407 -8.5135 21.6400 556474.0080 16.8322 16.8865 PRESSURE: 4623200 220.806 -57.9581 -142.059 -57.9589 264.057 96.0864 -142.059 96.0866 -63.4718 GPRESSURE: 4623200 279.42 -44.9206 -165.43 -0.177014 252.653 57.9448 -42.4666 108.08 -7.11854 PRESSAVG: 4623200 -15.4571 -28.4986 34.6647 -28.4987 -30.5704 -3.59935 34.6647 -3.59946 55.7117 GPRESSAVG: 4623200 -16.2477 -27.8085 36.9408 -29.372 -29.5668 -4.28806 32.0814 -2.47108 55.5883 TIMING: 4623200 CPU: 13726.4, 0.00293729/step Wall: 13726.4, 0.00293729/step, 0.307436 hours remaining, 209.710938 MB of memory in use. ENERGY: 4623200 730.4645 2097.3037 1953.0826 108.3754 -206551.2211 18069.7940 0.0000 0.0000 34289.2072 -149302.9937 299.4562 -183592.2009 -149204.9672 299.4128 140.4635 174.9845 556486.3349 3.2281 3.2579 PRESSURE: 4623400 133.367 -84.7473 88.3041 -84.7464 89.8142 12.9371 88.3043 12.9368 61.956 GPRESSURE: 4623400 122.008 -151.991 147.11 -56.5 167.635 -24.8088 32.3036 -30.9059 87.7729 PRESSAVG: 4623400 36.4606 -17.4879 39.4414 -17.4878 22.7265 -5.91523 39.4414 -5.91517 -11.3749 GPRESSAVG: 4623400 37.0871 -16.7586 41.2988 -18.0947 21.2796 -4.38082 40.9121 -8.80581 -11.2297 TIMING: 4623400 CPU: 13727, 0.00294876/step Wall: 13727, 0.00294876/step, 0.308473 hours remaining, 209.710938 MB of memory in use. ENERGY: 4623400 746.6204 2080.1045 1926.5151 117.2663 -206052.2079 17757.4167 0.0000 0.0000 34145.0749 -149279.2101 298.1974 -183424.2850 -149181.9878 299.6482 95.0456 125.8054 557168.3280 15.9374 15.7123 PRESSURE: 4623600 97.4459 61.2145 80.7673 61.2135 -41.7538 -81.9766 80.7677 -81.9767 201.986 GPRESSURE: 4623600 145.426 123.367 56.282 128.462 18.5103 -54.9301 92.1245 -116.439 196.364 PRESSAVG: 4623600 75.2896 -25.4909 -10.6614 -25.4909 -89.0427 -55.9822 -10.6613 -55.9821 13.6144 GPRESSAVG: 4623600 75.1438 -26.1233 -13.2512 -24.2332 -88.317 -56.727 -13.5187 -53.8792 13.2543 TIMING: 4623600 CPU: 13727.5, 0.0029726/step Wall: 13727.5, 0.0029726/step, 0.310802 hours remaining, 209.710938 MB of memory in use. ENERGY: 4623600 717.4973 2087.0351 1925.1659 109.8836 -206164.6829 17806.3052 0.0000 0.0000 34262.2209 -149256.5750 299.2205 -183518.7958 -149163.0827 298.7221 85.8926 120.0998 557413.9877 -0.0463 0.0270 PRESSURE: 4623800 -117.462 -22.7227 -24.7323 -22.7222 -90.7128 31.5803 -24.733 31.581 -210.354 GPRESSURE: 4623800 -108.72 97.2545 -80.841 -84.1671 3.73281 90.8719 -60.1957 23.2522 -209.474 PRESSAVG: 4623800 31.8153 -22.0503 -13.0356 -22.0504 20.1698 -41.2888 -13.0356 -41.2888 -9.0784 GPRESSAVG: 4623800 30.7862 -22.902 -11.5597 -22.1182 20.396 -42.1376 -11.2436 -41.5002 -9.34684 TIMING: 4623800 CPU: 13728.1, 0.00294749/step Wall: 13728.1, 0.00294749/step, 0.308013 hours remaining, 209.710938 MB of memory in use. ENERGY: 4623800 738.3866 2095.1473 1920.6875 113.4214 -206223.6643 17727.1555 0.0000 0.0000 34310.1023 -149318.7636 299.6387 -183628.8659 -149208.6831 299.4188 -139.5096 -104.8203 557892.8677 14.3022 13.9451 PRESSURE: 4624000 30.8445 -24.6088 -6.57771 -24.6081 47.2488 21.4833 -6.57867 21.4826 273.528 GPRESSURE: 4624000 56.8978 12.9965 -90.4051 -37.8214 108.948 -56.1762 67.6825 54.2091 288.817 PRESSAVG: 4624000 -3.00646 -48.8053 -3.40602 -48.8053 -7.51578 27.1618 -3.40598 27.162 17.9447 GPRESSAVG: 4624000 -2.62674 -49.3759 -5.6106 -48.4164 -8.52689 27.2586 -1.10469 27.4769 18.5612 TIMING: 4624000 CPU: 13728.7, 0.00296679/step Wall: 13728.7, 0.00296679/step, 0.309864 hours remaining, 209.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4624000 708.5687 2064.0983 1937.0045 110.0288 -206448.7445 17900.6867 0.0000 0.0000 34412.5728 -149315.7846 300.5336 -183728.3575 -149227.1366 299.3569 117.2072 151.5540 557346.9725 2.4742 2.4692 PRESSURE: 4624200 69.4177 84.1998 83.3007 84.1994 146.128 -61.4015 83.3015 -61.4015 4.24878 GPRESSURE: 4624200 137.639 53.3673 41.2156 131.906 138.322 8.9748 115.798 -81.1659 34.6254 PRESSAVG: 4624200 31.2168 -3.71103 -34.4557 -3.71099 20.1912 37.6156 -34.4557 37.6156 -24.7763 GPRESSAVG: 4624200 31.0751 -3.56444 -35.1934 -2.64191 20.4014 37.6799 -36.4962 38.5702 -25.0599 TIMING: 4624200 CPU: 13729.3, 0.00297077/step Wall: 13729.3, 0.00297077/step, 0.310116 hours remaining, 209.710938 MB of memory in use. ENERGY: 4624200 707.4898 2104.9259 1935.8462 108.7209 -206651.1053 18043.0344 0.0000 0.0000 34399.0606 -149352.0275 300.4156 -183751.0881 -149252.3823 299.2948 73.2649 103.5288 557038.8675 8.8772 8.8055 LDB: ============= START OF LOAD BALANCING ============== 13732.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13732.9 LDB: =============== DONE WITH MIGRATION ================ 13732.9 LDB: ============= START OF LOAD BALANCING ============== 13733.2 LDB: Largest compute 4801 load 0.021271 is 18.0% of average load 0.118223 LDB: Average compute 0.001724 is 1.5% of average load 0.118223 LDB: TIME 13733.2 LOAD: AVG 0.118223 MAX 0.195725 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.551 MB LDB: TIME 13733.2 LOAD: AVG 0.118223 MAX 0.195725 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.75 MB LDB: TIME 13733.2 LOAD: AVG 0.118223 MAX 0.195725 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.75 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13733.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13733.2 PRESSURE: 4624400 -130.671 -120.169 -64.5486 -120.17 16.528 40.0243 -64.5487 40.0246 -84.5163 GPRESSURE: 4624400 -68.9618 -186.902 -118.601 -40.5919 -13.2744 106.124 -77.4669 -32.5498 -26.2235 PRESSAVG: 4624400 -18.3827 1.54241 -76.0458 1.54242 52.5249 31.0408 -76.0457 31.0407 -26.5769 GPRESSAVG: 4624400 -18.2025 0.210939 -75.0786 2.53784 52.9157 30.8736 -76.5122 31.3415 -26.8965 TIMING: 4624400 CPU: 13729.9, 0.00300054/step Wall: 13729.9, 0.00300054/step, 0.313056 hours remaining, 209.320312 MB of memory in use. ENERGY: 4624400 752.1853 2082.0185 1946.5207 108.5403 -206261.6775 17913.8529 0.0000 0.0000 34159.8912 -149298.6687 298.3268 -183458.5598 -149201.0564 299.0077 -66.2199 -36.1532 558855.0101 2.5218 2.6056 PRESSURE: 4624600 -83.0092 -150.45 232.249 -150.451 -51.6392 124.622 232.248 124.621 -72.0313 GPRESSURE: 4624600 -118.621 -109.153 251.728 -143.891 -5.37044 163.346 176.624 59.495 14.0108 PRESSAVG: 4624600 32.778 9.38563 -11.1329 9.3856 -19.8943 -15.077 -11.133 -15.0768 -32.5529 GPRESSAVG: 4624600 33.1131 11.6177 -12.1388 7.00022 -21.5561 -13.9984 -10.1752 -16.2457 -31.301 TIMING: 4624600 CPU: 13730.5, 0.0029307/step Wall: 13730.5, 0.0029307/step, 0.305607 hours remaining, 209.578125 MB of memory in use. ENERGY: 4624600 735.4696 2081.7361 1933.3572 109.7245 -206291.7013 17884.9319 0.0000 0.0000 34506.7043 -149039.7777 301.3556 -183546.4820 -148942.7397 299.3257 -68.8932 -36.6602 559287.7256 -6.5564 -6.5813 PRESSURE: 4624800 -206.237 -24.9233 0.337444 -24.9244 -119.547 -58.1219 0.337877 -58.1214 143.558 GPRESSURE: 4624800 -200.998 -125.157 128.105 -8.80023 -62.2452 -48.4426 35.0404 -13.5508 182.415 PRESSAVG: 4624800 -29.3455 24.9215 -8.05126 24.9216 19.3009 -16.6512 -8.05127 -16.6512 27.1153 GPRESSAVG: 4624800 -29.8172 24.4104 -5.61982 25.1444 21.122 -16.4224 -9.32235 -15.5145 26.2636 TIMING: 4624800 CPU: 13731.1, 0.00292475/step Wall: 13731.1, 0.00292475/step, 0.304824 hours remaining, 209.578125 MB of memory in use. ENERGY: 4624800 740.0924 2194.6354 1910.0275 121.8249 -205964.6158 17675.4513 0.0000 0.0000 34266.0001 -149056.5842 299.2535 -183322.5843 -148955.1646 299.7005 -60.7419 -26.9426 558295.9120 5.6902 5.8561 PRESSURE: 4625000 156.387 -111.429 93.7294 -111.43 -72.185 -21.6527 93.7303 -21.6517 8.60009 GPRESSURE: 4625000 209.865 -174.589 86.8711 -62.3176 -23.9103 75.1871 115.005 -9.25412 8.13177 PRESSAVG: 4625000 39.5605 -13.4357 10.9003 -13.4356 -59.9076 15.0023 10.9002 15.0022 39.6826 GPRESSAVG: 4625000 39.68 -15.3156 9.52856 -13.6449 -60.3516 14.8282 10.0104 14.4963 40.0892 TIMING: 4625000 CPU: 13731.7, 0.00294499/step Wall: 13731.7, 0.00294499/step, 0.30677 hours remaining, 209.578125 MB of memory in use. ENERGY: 4625000 745.8930 2066.2849 1971.5957 117.5837 -205997.9698 17798.8731 0.0000 0.0000 34259.3037 -149038.4357 299.1950 -183297.7394 -148937.9794 300.0445 30.9341 64.6954 557855.6701 6.4452 6.4725 PRESSURE: 4625200 -179.541 -111.271 -101.634 -111.271 -18.4659 64.1323 -101.634 64.1326 317.954 GPRESSURE: 4625200 -159.879 -129.865 -131.233 -102.3 78.9985 2.37904 -75.7421 218.222 303.432 PRESSAVG: 4625200 34.3733 -34.3312 -9.43018 -34.3311 -37.8822 6.79851 -9.43024 6.79851 -6.10962 GPRESSAVG: 4625200 34.5337 -35.2768 -10.8778 -33.0074 -38.5735 7.10347 -7.68452 5.29497 -5.49663 TIMING: 4625200 CPU: 13732.3, 0.00296656/step Wall: 13732.3, 0.00296656/step, 0.308852 hours remaining, 209.578125 MB of memory in use. ENERGY: 4625200 743.8728 2101.1131 1971.4709 119.9366 -206125.7942 18000.3741 0.0000 0.0000 34307.8974 -148881.1295 299.6194 -183189.0269 -148785.1244 300.3223 39.9826 74.1838 558657.9751 -3.2062 -3.1788 PRESSURE: 4625400 -139.635 56.0519 -35.1594 56.0532 76.964 -89.4997 -35.1603 -89.4998 61.8835 GPRESSURE: 4625400 -153.949 -32.0563 -65.5237 148.808 126.986 -41.848 -64.569 -45.5056 128.822 PRESSAVG: 4625400 -64.9356 -25.5797 -41.5552 -25.5796 12.2149 11.9364 -41.5552 11.9363 18.9334 GPRESSAVG: 4625400 -65.6528 -21.4934 -42.35 -27.0422 12.6022 12.9885 -40.653 13.3148 19.5268 TIMING: 4625400 CPU: 13732.9, 0.00294269/step Wall: 13732.9, 0.00294269/step, 0.306203 hours remaining, 209.578125 MB of memory in use. ENERGY: 4625400 759.0586 2088.1477 1896.2078 107.7269 -206266.7280 17964.9165 0.0000 0.0000 34551.5554 -148899.1151 301.7473 -183450.6705 -148798.9467 300.4107 -0.2623 33.9527 558289.0694 -11.2624 -11.1746 PRESSURE: 4625600 -77.4009 -216.354 14.977 -216.354 -201.806 3.40486 14.9766 3.40412 -94.9597 GPRESSURE: 4625600 -8.82212 -82.8701 64.5769 -277.623 -158.23 26.2321 -103.023 43.3168 -121.664 PRESSAVG: 4625600 -28.1951 -48.8618 -10.7291 -48.8618 23.611 -16.9951 -10.729 -16.9951 -15.9522 GPRESSAVG: 4625600 -27.3663 -52.0999 -9.14468 -48.0106 24.2335 -17.7936 -12.6708 -18.7467 -17.826 TIMING: 4625600 CPU: 13733.5, 0.00294092/step Wall: 13733.5, 0.00294092/step, 0.305855 hours remaining, 209.578125 MB of memory in use. ENERGY: 4625600 774.3540 2139.4766 1946.1080 112.8920 -205825.7857 17622.9929 0.0000 0.0000 34277.6909 -148952.2713 299.3556 -183229.9621 -148853.5887 300.4605 -124.7222 -96.2387 558076.4022 -6.8455 -6.9863 PRESSURE: 4625800 -80.1467 84.0038 63.3896 84.0043 -109.109 -7.32466 63.389 -7.32451 -137.949 GPRESSURE: 4625800 -105.007 112.963 44.5534 16.0427 -76.0155 -36.0229 87.2392 49.555 -37.102 PRESSAVG: 4625800 39.9945 8.16377 37.3845 8.16379 1.58459 -46.701 37.3845 -46.701 -27.0151 GPRESSAVG: 4625800 39.2345 10.0251 37.1238 9.0331 1.98134 -44.6127 38.5917 -46.3891 -25.9452 TIMING: 4625800 CPU: 13734, 0.00293324/step Wall: 13734, 0.00293324/step, 0.304894 hours remaining, 209.578125 MB of memory in use. ENERGY: 4625800 786.3088 2114.6560 1939.2063 116.4416 -206106.5697 17869.2325 0.0000 0.0000 34239.0764 -149041.6480 299.0184 -183280.7244 -148951.0758 299.7470 -109.0682 -72.7083 559054.2242 4.8546 5.0902 PRESSURE: 4626000 153.79 -38.4529 -129.785 -38.4538 -334.338 -68.444 -129.785 -68.4429 -189.434 GPRESSURE: 4626000 171.976 -110.665 -54.6272 10.9323 -251.07 -66.4455 -83.0137 -17.7882 -191.788 PRESSAVG: 4626000 36.0584 -29.061 51.0548 -29.0609 -6.85576 -7.35734 51.0548 -7.35731 -56.6888 GPRESSAVG: 4626000 36.6186 -27.2631 50.9384 -32.3195 -6.60802 -10.9062 49.6438 -5.51127 -57.6051 TIMING: 4626000 CPU: 13734.6, 0.00293335/step Wall: 13734.6, 0.00293335/step, 0.304742 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4626000 750.8342 2065.6112 1940.6864 116.9009 -205797.1378 17636.4181 0.0000 0.0000 34395.1416 -148891.5455 300.3813 -183286.6870 -148793.0174 299.7460 -123.3273 -90.2939 558227.7610 -9.1621 -9.1982 PRESSURE: 4626200 113.765 -216.005 61.3551 -216.005 -87.1326 -66.6511 61.3566 -66.6516 72.8451 GPRESSURE: 4626200 174.075 -217.937 132.552 -177.555 -64.7411 -74.6648 -50.0429 -109.371 82.2466 PRESSAVG: 4626200 32.1529 -14.411 -92.9835 -14.411 50.7258 31.5126 -92.9835 31.5126 -60.375 GPRESSAVG: 4626200 31.89 -15.5573 -93.5728 -13.3182 50.7646 34.4272 -93.664 29.48 -60.4036 TIMING: 4626200 CPU: 13735.2, 0.0029474/step Wall: 13735.2, 0.0029474/step, 0.306038 hours remaining, 209.578125 MB of memory in use. ENERGY: 4626200 713.8799 2054.6383 1948.8032 116.9350 -206422.1953 18056.8489 0.0000 0.0000 34457.8687 -149073.2213 300.9291 -183531.0900 -148969.2987 299.6156 33.1592 63.8601 558448.2196 7.5012 7.4170 PRESSURE: 4626400 -266.632 -71.9017 143.998 -71.9026 -87.0714 52.408 143.998 52.41 46.3644 GPRESSURE: 4626400 -203.035 -137.737 129.17 9.76213 -101.369 0.886243 104.046 110.988 98.5796 PRESSAVG: 4626400 -10.6877 44.2239 -18.7465 44.2239 -40.1975 -34.4103 -18.7465 -34.4102 -25.0246 GPRESSAVG: 4626400 -10.4535 43.8291 -17.1503 44.7307 -40.7965 -37.1864 -20.2428 -33.5168 -24.3977 TIMING: 4626400 CPU: 13735.8, 0.00295591/step Wall: 13735.8, 0.00295591/step, 0.306758 hours remaining, 209.578125 MB of memory in use. ENERGY: 4626400 737.1513 2100.2378 1909.6461 113.6182 -205867.9341 17623.1216 0.0000 0.0000 34216.1506 -149168.0085 298.8182 -183384.1591 -149068.3929 299.5340 -102.4462 -68.6080 558742.4411 -25.3032 -25.2159 PRESSURE: 4626600 -97.02 -183.939 35.9682 -183.939 -20.2583 -224.783 35.9684 -224.783 221.433 GPRESSURE: 4626600 1.04508 -50.0018 39.8913 -206.479 15.7111 -153.628 36.2027 -219.113 189.546 PRESSAVG: 4626600 26.2092 -15.5398 -14.7615 -15.5398 51.0232 -27.8927 -14.7616 -27.8928 -69.1263 GPRESSAVG: 4626600 27.3766 -16.5682 -15.7211 -12.542 51.7772 -24.7937 -13.1376 -27.5269 -70.6052 TIMING: 4626600 CPU: 13736.4, 0.00293942/step Wall: 13736.4, 0.00293942/step, 0.304883 hours remaining, 209.578125 MB of memory in use. ENERGY: 4626600 745.5060 2070.5286 1923.2009 112.5137 -205976.1047 17794.1462 0.0000 0.0000 34418.2531 -148911.9562 300.5832 -183330.2093 -148810.4543 300.1004 34.7182 68.7675 555989.8721 2.7020 2.8495 PRESSURE: 4626800 -55.1917 -109.345 -76.6695 -109.344 281.913 23.4924 -76.6696 23.4928 -12.6674 GPRESSURE: 4626800 -40.3537 -99.6577 -61.5578 -97.0542 327.422 101.551 -84.6554 -65.5803 42.2069 PRESSAVG: 4626800 13.5628 -22.2124 -28.0225 -22.2125 24.0369 -58.3453 -28.0225 -58.3452 0.117431 GPRESSAVG: 4626800 13.1719 -22.5815 -28.6089 -23.5681 23.715 -59.8995 -26.3418 -58.9728 1.34688 TIMING: 4626800 CPU: 13737, 0.00291991/step Wall: 13737, 0.00291991/step, 0.302697 hours remaining, 209.578125 MB of memory in use. ENERGY: 4626800 738.9591 2117.0353 1908.6998 113.9933 -205776.3326 17787.5535 0.0000 0.0000 34216.2233 -148893.8682 298.8188 -183110.0915 -148798.6729 299.8062 71.3514 109.7585 557014.4533 12.5724 12.7446 PRESSURE: 4627000 119.572 20.6457 -4.62693 20.6462 -127.274 -95.33 -4.62689 -95.3317 99.1043 GPRESSURE: 4627000 180.718 43.0809 11.8653 29.4665 -84.45 -130.167 57.064 -80.8135 90.9919 PRESSAVG: 4627000 55.5422 -17.4753 -53.9891 -17.4753 -19.1509 1.15959 -53.9892 1.15962 23.1167 GPRESSAVG: 4627000 55.4871 -14.2815 -54.0228 -18.7981 -19.5661 2.3391 -53.7432 -0.572786 23.2713 TIMING: 4627000 CPU: 13737.6, 0.00297172/step Wall: 13737.6, 0.00297172/step, 0.307903 hours remaining, 209.578125 MB of memory in use. ENERGY: 4627000 720.4260 2100.1937 1911.3713 118.3658 -205996.0209 17565.0506 0.0000 0.0000 34568.5889 -149012.0246 301.8961 -183580.6135 -148918.9517 299.8690 30.4673 62.4199 554899.9118 19.8360 19.7308 PRESSURE: 4627200 -100.943 -33.457 -185.945 -33.4582 -89.9292 160.474 -185.945 160.477 119.344 GPRESSURE: 4627200 -110.755 68.7243 -145.982 -36.4816 -12.0654 84.0026 -137.749 145.36 138.6 PRESSAVG: 4627200 -23.5684 27.1844 -20.0674 27.1844 -19.7156 -2.91193 -20.0675 -2.91191 18.491 GPRESSAVG: 4627200 -24.1327 24.8311 -19.7095 29.2314 -18.5441 -3.95797 -20.7033 -2.79252 17.8041 TIMING: 4627200 CPU: 13738.2, 0.00293511/step Wall: 13738.2, 0.00293511/step, 0.303947 hours remaining, 209.578125 MB of memory in use. ENERGY: 4627200 766.0517 2097.7476 1899.3519 103.9325 -206069.2758 17766.4404 0.0000 0.0000 34404.1454 -149031.6063 300.4600 -183435.7517 -148940.0932 300.2554 -23.8429 5.2600 557251.2840 -8.2643 -8.2909 PRESSURE: 4627400 -284.636 31.4566 68.3192 31.4552 0.217416 54.4087 68.3184 54.4092 236.106 GPRESSURE: 4627400 -233.002 64.8939 36.2428 -28.6472 42.2483 118.599 71.7039 35.8785 243.93 PRESSAVG: 4627400 -12.0468 -11.2225 -10.0727 -11.2224 0.92994 -24.0399 -10.0726 -24.0399 -26.3445 GPRESSAVG: 4627400 -11.5746 -10.8666 -10.2573 -14.7219 -0.164105 -24.7419 -11.1292 -23.2236 -25.3068 TIMING: 4627400 CPU: 13738.7, 0.00291923/step Wall: 13738.7, 0.00291923/step, 0.30214 hours remaining, 209.578125 MB of memory in use. ENERGY: 4627400 737.4187 2066.0426 1941.6092 125.5970 -205898.5016 17751.4398 0.0000 0.0000 34476.5649 -148799.8293 301.0924 -183276.3942 -148703.3592 300.7873 -16.1041 17.7253 557810.0493 -12.4871 -12.3485 PRESSURE: 4627600 -103.85 93.6577 76.3969 93.6583 -286.901 -27.4475 76.398 -27.4461 -331.423 GPRESSURE: 4627600 -48.3114 140.808 30.4047 -17.2328 -246.446 4.21303 49.612 -76.1558 -321.066 PRESSAVG: 4627600 6.50244 4.78014 50.4156 4.78007 -21.1887 -52.0518 50.4155 -52.0518 12.0156 GPRESSAVG: 4627600 5.03725 5.52361 48.8913 4.42867 -19.3333 -53.8494 50.7463 -51.322 11.941 TIMING: 4627600 CPU: 13739.3, 0.00293182/step Wall: 13739.3, 0.00293182/step, 0.303281 hours remaining, 209.578125 MB of memory in use. ENERGY: 4627600 732.8447 2125.9674 1941.1040 104.1379 -205025.9616 17112.4779 0.0000 0.0000 34404.8910 -148604.5386 300.4665 -183009.4296 -148506.4970 300.8221 -240.7246 -205.2745 558585.0013 -0.8902 -0.7850 PRESSURE: 4627800 -13.4626 -16.7899 -88.6285 -16.7893 62.5389 39.5133 -88.6302 39.5116 -185.965 GPRESSURE: 4627800 66.9561 -15.2527 -135.548 -11.9675 -11.8935 68.7147 -24.4823 16.593 -100.156 PRESSAVG: 4627800 56.7132 5.68076 27.4019 5.68077 -11.3902 30.1171 27.4018 30.1171 -90.3331 GPRESSAVG: 4627800 57.0214 4.14109 28.0341 7.42108 -12.0246 31.1832 28.5344 29.6815 -89.5423 TIMING: 4627800 CPU: 13739.9, 0.00293483/step Wall: 13739.9, 0.00293483/step, 0.303429 hours remaining, 209.578125 MB of memory in use. ENERGY: 4627800 746.2833 2149.1705 1951.0103 115.1917 -205723.3611 17671.3939 0.0000 0.0000 34429.2718 -148661.0396 300.6794 -183090.3114 -148563.7409 300.9508 -45.6296 -15.0311 558287.6086 -15.0034 -14.8485 PRESSURE: 4628000 29.7558 72.584 126.03 72.5834 69.0842 75.6967 126.031 75.6967 236.008 GPRESSURE: 4628000 37.8209 -18.0866 195.179 55.8517 140.258 -21.128 66.0872 152.286 254.945 PRESSAVG: 4628000 16.7482 38.9707 -32.9897 38.9708 13.9618 36.2281 -32.9896 36.2281 -11.2051 GPRESSAVG: 4628000 16.6896 37.9165 -32.4484 38.435 14.8047 38.2236 -32.6019 36.5248 -12.0213 TIMING: 4628000 CPU: 13740.5, 0.00292769/step Wall: 13740.5, 0.00292769/step, 0.302528 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4628000 766.7875 2109.0084 1928.7262 121.3821 -206180.3612 18013.5605 0.0000 0.0000 34572.0500 -148668.8463 301.9263 -183240.8964 -148573.7416 301.2115 111.6161 144.3413 557690.8184 6.5016 6.4910 PRESSURE: 4628200 15.44 -131.791 -17.8099 -131.791 -250.406 -39.2747 -17.8093 -39.2746 -71.1335 GPRESSURE: 4628200 37.4637 -54.1988 -11.4118 -186.174 -211.551 -119.825 -4.72212 -2.78581 -34.419 PRESSAVG: 4628200 40.3645 37.0038 2.94418 37.0038 -22.8776 -0.696172 2.94411 -0.696255 -60.6772 GPRESSAVG: 4628200 40.3884 39.5192 0.970776 35.836 -23.4759 -3.0393 2.20151 0.131547 -60.6139 TIMING: 4628200 CPU: 13741.1, 0.0029247/step Wall: 13741.1, 0.0029247/step, 0.302057 hours remaining, 209.578125 MB of memory in use. ENERGY: 4628200 751.8061 2093.9262 1930.8476 110.4710 -205592.2158 17534.8757 0.0000 0.0000 34371.7075 -148798.5817 300.1767 -183170.2892 -148698.6379 300.7358 -102.0331 -69.5022 557606.0745 -14.3967 -14.5672 LDB: ============= START OF LOAD BALANCING ============== 13744.6 LDB: ============== END OF LOAD BALANCING =============== 13744.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13744.6 LDB: ============= START OF LOAD BALANCING ============== 13744.9 LDB: Largest compute 4802 load 0.022147 is 18.7% of average load 0.118271 LDB: Average compute 0.001734 is 1.5% of average load 0.118271 LDB: TIME 13744.9 LOAD: AVG 0.118271 MAX 0.197255 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.551 MB LDB: TIME 13744.9 LOAD: AVG 0.118271 MAX 0.197255 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.551 MB LDB: TIME 13744.9 LOAD: AVG 0.118271 MAX 0.197255 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.551 MB LDB: ============== END OF LOAD BALANCING =============== 13744.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13744.9 PRESSURE: 4628400 259.431 35.4193 -19.5858 35.4191 165.36 138.76 -19.5871 138.76 -23.6139 GPRESSURE: 4628400 310.302 -62.2506 29.8953 10.2422 187.131 176.09 -43.6903 16.7506 -1.71683 PRESSAVG: 4628400 29.8319 8.45327 67.9697 8.45319 55.7577 -33.9482 67.9696 -33.9481 -68.3711 GPRESSAVG: 4628400 29.8959 8.15959 70.1449 8.99876 55.1407 -32.4449 67.1107 -35.2077 -68.6474 TIMING: 4628400 CPU: 13741.7, 0.00298941/step Wall: 13741.7, 0.00298941/step, 0.308573 hours remaining, 209.066406 MB of memory in use. ENERGY: 4628400 772.8340 2090.8781 1933.9827 100.6419 -205852.0591 17837.3437 0.0000 0.0000 34369.5496 -148746.8291 300.1578 -183116.3787 -148650.6664 300.8714 133.7259 165.2386 557159.0149 5.7395 5.4631 PRESSURE: 4628600 -23.8493 -126.578 -38.9031 -126.576 -138.535 142.453 -38.9033 142.452 157.896 GPRESSURE: 4628600 14.6805 -155.834 38.1997 -194.213 -83.1283 121.271 -103.822 114.939 160.262 PRESSAVG: 4628600 52.4887 15.0355 7.10911 15.0356 29.3643 1.50055 7.10909 1.50068 -59.3425 GPRESSAVG: 4628600 51.7667 14.732 7.31247 14.5822 29.976 -2.11292 8.83256 2.90515 -58.9153 TIMING: 4628600 CPU: 13742.3, 0.00295484/step Wall: 13742.3, 0.00295484/step, 0.304841 hours remaining, 209.066406 MB of memory in use. ENERGY: 4628600 725.4065 2038.4967 1959.6358 144.5343 -205993.8908 17799.7614 0.0000 0.0000 34549.6294 -148776.4268 301.7305 -183326.0562 -148672.9597 300.8296 -1.4961 30.6047 557202.3794 7.5035 7.6091 PRESSURE: 4628800 -20.0496 19.1464 -50.0243 19.1459 -110.452 3.53654 -50.0239 3.53693 -148.544 GPRESSURE: 4628800 18.9502 -4.50768 -58.7296 79.942 -80.4029 13.4795 11.881 87.8959 -110.136 PRESSAVG: 4628800 10.805 6.51565 13.6511 6.51566 7.13379 30.8299 13.6512 30.8298 13.4322 GPRESSAVG: 4628800 11.0394 6.56744 11.861 6.86001 5.65462 34.1718 12.2549 28.4949 14.3232 TIMING: 4628800 CPU: 13742.9, 0.00293469/step Wall: 13742.9, 0.00293469/step, 0.302599 hours remaining, 209.066406 MB of memory in use. ENERGY: 4628800 739.2039 2055.0515 1919.0322 121.1791 -205739.9087 17629.5087 0.0000 0.0000 34386.6204 -148889.3130 300.3069 -183275.9333 -148784.3322 300.4917 -93.0150 -57.1963 557396.0785 10.4570 10.3391 PRESSURE: 4629000 78.5936 -13.9275 130.371 -13.928 6.47392 122.808 130.371 122.808 -157.608 GPRESSURE: 4629000 117.031 68.2257 172.885 28.3787 21.7974 119.333 122.557 211.223 -103.504 PRESSAVG: 4629000 91.5673 12.7325 -41.6003 12.7325 -32.4816 -41.5363 -41.6003 -41.5364 -23.4004 GPRESSAVG: 4629000 91.883 14.5165 -39.113 12.7147 -31.5813 -44.4535 -43.7832 -39.4649 -24.1797 TIMING: 4629000 CPU: 13743.5, 0.00295015/step Wall: 13743.5, 0.00295015/step, 0.304029 hours remaining, 209.066406 MB of memory in use. ENERGY: 4629000 769.4779 2072.6421 1957.7991 112.0593 -206000.5391 17827.9729 0.0000 0.0000 34437.9333 -148822.6544 300.7550 -183260.5877 -148729.0879 299.4282 -24.1801 11.7748 557702.6559 11.8951 12.0407 PRESSURE: 4629200 -80.1151 -143.984 -52.729 -143.983 121.475 11.2295 -52.728 11.231 -285.949 GPRESSURE: 4629200 -35.3921 -91.0561 -0.428143 -170.906 135.312 -29.7389 -144.276 72.9288 -252.572 PRESSAVG: 4629200 35.2769 -47.7526 12.904 -47.7526 16.2214 69.0382 12.9038 69.0382 -81.4196 GPRESSAVG: 4629200 34.388 -48.5946 11.7667 -47.3832 16.6572 70.9063 14.9347 67.6426 -80.6175 TIMING: 4629200 CPU: 13744, 0.00294689/step Wall: 13744, 0.00294689/step, 0.303529 hours remaining, 209.066406 MB of memory in use. ENERGY: 4629200 755.6554 2112.8240 1918.2030 117.9749 -205572.2126 17502.8362 0.0000 0.0000 34357.5852 -148807.1338 300.0533 -183164.7190 -148710.2461 300.2291 -81.5297 -50.8842 558169.3512 -9.9738 -9.8574 PRESSURE: 4629400 -93.7122 -128.159 27.4255 -128.16 148.012 -54.2531 27.425 -54.2539 356 GPRESSURE: 4629400 -75.4507 -76.401 16.5853 -124.737 279.134 -63.2982 -0.137913 -70.986 292.52 PRESSAVG: 4629400 -129.737 17.9381 15.5601 17.9381 74.5076 9.61184 15.5602 9.6119 42.8907 GPRESSAVG: 4629400 -129.28 16.4157 13.21 18.4242 74.7407 8.74733 16.308 10.6299 42.0401 TIMING: 4629400 CPU: 13744.6, 0.00293704/step Wall: 13744.6, 0.00293704/step, 0.302352 hours remaining, 209.066406 MB of memory in use. ENERGY: 4629400 769.1876 2068.9740 1903.3071 124.5073 -205745.7486 17848.4057 0.0000 0.0000 34090.8123 -148940.5547 297.7235 -183031.3670 -148846.7112 299.8601 136.7663 165.4014 557129.5666 -4.1130 -4.1663 PRESSURE: 4629600 82.5461 -52.69 20.4515 -52.6907 -442.049 53.0113 20.451 53.0103 -94.031 GPRESSURE: 4629600 71.2964 -72.8398 -12.4523 -32.7698 -322.534 37.0493 -3.71072 8.58292 -103.105 PRESSAVG: 4629600 -50.6612 4.19765 18.7181 4.19753 16.536 -44.1936 18.7181 -44.1936 50.908 GPRESSAVG: 4629600 -50.249 2.53219 20.839 4.35672 16.064 -43.7 17.7713 -46.5875 50.6827 TIMING: 4629600 CPU: 13745.2, 0.00292235/step Wall: 13745.2, 0.00292235/step, 0.300678 hours remaining, 209.066406 MB of memory in use. ENERGY: 4629600 732.3757 2076.0246 1924.4502 101.0201 -205638.0687 17520.3736 0.0000 0.0000 34441.2593 -148842.5651 300.7841 -183283.8244 -148748.1428 300.2077 -151.1778 -118.1143 560316.2386 5.5943 5.4992 PRESSURE: 4629800 188.589 158.531 7.75873 158.53 -16.2724 0.799725 7.75793 0.79943 93.6219 GPRESSURE: 4629800 218.4 98.4323 -32.6466 167.14 69.0829 -28.1371 26.8712 62.2042 72.3138 PRESSAVG: 4629800 49.4106 -28.9752 -8.25996 -28.9752 -8.72121 -31.1542 -8.25995 -31.1542 -37.7931 GPRESSAVG: 4629800 49.0938 -27.2262 -8.34734 -29.1049 -9.14256 -31.6004 -10.5773 -30.167 -37.3314 TIMING: 4629800 CPU: 13745.8, 0.00295652/step Wall: 13745.8, 0.00295652/step, 0.304029 hours remaining, 209.066406 MB of memory in use. ENERGY: 4629800 752.3401 2091.7119 1926.9486 105.3398 -205908.9696 17953.5740 0.0000 0.0000 34223.1169 -148855.9383 298.8790 -183079.0552 -148767.0634 300.6456 88.6463 119.9321 559328.1330 0.9654 0.8733 PRESSURE: 4630000 -26.1372 12.1683 -50.375 12.1682 -407.828 -33.136 -50.3758 -33.1354 -39.6578 GPRESSURE: 4630000 -6.23462 54.6259 53.519 12.7867 -323.753 -54.1325 6.15155 -32.8138 -35.1034 PRESSAVG: 4630000 -1.62796 -1.31455 14.3319 -1.31459 -40.3043 -29.8494 14.3318 -29.8495 10.5097 GPRESSAVG: 4630000 -2.88148 -1.01115 13.8839 -1.13066 -39.249 -31.0737 16.9114 -27.905 9.99545 TIMING: 4630000 CPU: 13746.4, 0.00292704/step Wall: 13746.4, 0.00292704/step, 0.300834 hours remaining, 209.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4630000 764.9630 2056.5224 1925.1889 126.4882 -205878.5566 17586.6518 0.0000 0.0000 34442.7888 -148975.9536 300.7974 -183418.7424 -148874.8217 299.7322 -157.8745 -121.6971 558527.7909 -10.4742 -10.7117 PRESSURE: 4630200 56.5839 -79.9102 -44.2785 -79.9099 123.535 -4.99667 -44.278 -4.99724 -264.822 GPRESSURE: 4630200 115.477 -104.418 -114.073 -47.9294 174.552 -4.76683 -11.0848 -74.7527 -285.966 PRESSAVG: 4630200 21.4496 -18.8744 4.1174 -18.8744 32.1536 -68.1384 4.11744 -68.1384 -26.1555 GPRESSAVG: 4630200 23.3152 -18.2209 4.10588 -19.8169 30.1092 -66.3001 4.41127 -69.564 -25.7145 TIMING: 4630200 CPU: 13747, 0.00291264/step Wall: 13747, 0.00291264/step, 0.299193 hours remaining, 209.066406 MB of memory in use. ENERGY: 4630200 750.4547 2115.3966 1909.6692 124.8984 -205776.5251 17627.6854 0.0000 0.0000 34369.9853 -148878.4355 300.1616 -183248.4208 -148775.4734 300.2684 -28.2344 1.3542 559650.5282 9.1492 9.2366 PRESSURE: 4630400 219.062 62.1461 75.5205 62.1454 34.2583 -80.321 75.5195 -80.3216 -43.6083 GPRESSURE: 4630400 213.653 42.4598 107.452 63.3872 78.5763 -99.1633 35.0438 -60.4383 13.7309 PRESSAVG: 4630400 33.8923 14.3948 -20.8815 14.3949 32.6156 -28.7692 -20.8815 -28.7691 -44.6919 GPRESSAVG: 4630400 33.0508 14.0463 -21.1183 14.5018 32.7792 -31.6651 -22.1071 -28.4309 -44.426 TIMING: 4630400 CPU: 13747.6, 0.00292724/step Wall: 13747.6, 0.00292724/step, 0.30053 hours remaining, 209.066406 MB of memory in use. ENERGY: 4630400 716.8562 2103.1061 1929.1748 106.1785 -206069.5513 18017.8214 0.0000 0.0000 34150.4103 -149046.0040 298.2440 -183196.4143 -148953.8130 299.9610 69.9039 101.9867 558088.5887 7.2720 7.1347 PRESSURE: 4630600 43.3115 240.265 -26.2353 240.265 260.142 -61.7657 -26.2334 -61.7668 195.438 GPRESSURE: 4630600 88.0444 291.875 18.5263 185.573 293.246 -173.377 -28.3425 8.74036 211.527 PRESSAVG: 4630600 -14.7831 29.6268 -36.5722 29.6269 67.7008 -25.9695 -36.5722 -25.9695 -49.2846 GPRESSAVG: 4630600 -14.2265 28.2236 -37.0817 30.5496 68.1521 -25.2804 -36.2351 -26.4477 -50.1809 TIMING: 4630600 CPU: 13748.2, 0.00296529/step Wall: 13748.2, 0.00296529/step, 0.304272 hours remaining, 209.066406 MB of memory in use. ENERGY: 4630600 739.7157 2047.1887 1950.7386 124.1101 -206332.4859 18132.8791 0.0000 0.0000 34381.7360 -148956.1176 300.2643 -183337.8535 -148856.8412 300.5427 166.2971 197.6058 557923.0618 1.2110 1.2482 PRESSURE: 4630800 -318.563 -53.5152 -46.0056 -53.5138 -221.627 -171.675 -46.0051 -171.676 -94.6792 GPRESSURE: 4630800 -224.505 60.6407 -8.30278 -6.02394 -214.998 -175.284 -112.195 -176.292 -109.418 PRESSAVG: 4630800 -11.7043 24.0747 -5.95699 24.0747 88.0569 -35.4046 -5.95697 -35.4047 -84.8892 GPRESSAVG: 4630800 -13.0276 25.2878 -4.77968 24.5005 88.3472 -33.6593 -5.38848 -35.7661 -83.9444 TIMING: 4630800 CPU: 13748.8, 0.00297876/step Wall: 13748.8, 0.00297876/step, 0.305489 hours remaining, 209.066406 MB of memory in use. ENERGY: 4630800 768.5395 2064.9736 1918.4183 109.0815 -205679.6396 17519.2977 0.0000 0.0000 34327.9037 -148971.4252 299.7941 -183299.3289 -148871.8605 299.9726 -211.6233 -182.9738 559495.4677 -2.8456 -2.8749 PRESSURE: 4631000 -5.33657 -129.783 66.3971 -129.783 183.663 107.348 66.3955 107.349 304.84 GPRESSURE: 4631000 -2.42993 -173.375 -19.1844 -131.34 245.124 125.091 69.8848 33.49 330.568 PRESSAVG: 4631000 -60.2596 35.1213 9.46032 35.1213 81.9968 -61.3549 9.46036 -61.3548 -2.94334 GPRESSAVG: 4631000 -60.7748 35.772 8.56408 33.33 81.6257 -63.1995 9.7036 -60.6331 -2.62892 TIMING: 4631000 CPU: 13749.3, 0.00293927/step Wall: 13749.3, 0.00293927/step, 0.301275 hours remaining, 209.066406 MB of memory in use. ENERGY: 4631000 752.3317 2095.6958 1934.7957 116.3429 -206258.1045 18016.2549 0.0000 0.0000 34449.6023 -148893.0813 300.8569 -183342.6836 -148797.7389 300.4893 161.0554 191.0872 558250.0152 6.2646 6.0740 PRESSURE: 4631200 387.316 22.9203 -1.98698 22.9207 -100.401 121.137 -1.9886 121.138 -266.29 GPRESSURE: 4631200 268.257 -35.7115 104.152 -40.7469 14.1875 94.2973 19.5684 127.062 -173.025 PRESSAVG: 4631200 -26.0994 -33.576 -40.8528 -33.576 13.3396 16.255 -40.8527 16.255 32.1242 GPRESSAVG: 4631200 -26.076 -34.8399 -39.9942 -33.101 13.5995 17.9984 -41.3008 15.4873 31.8223 TIMING: 4631200 CPU: 13749.9, 0.00292295/step Wall: 13749.9, 0.00292295/step, 0.299439 hours remaining, 209.066406 MB of memory in use. ENERGY: 4631200 721.1965 2055.8166 1941.4470 111.4353 -205808.8702 17723.9016 0.0000 0.0000 34290.0460 -148965.0272 299.4635 -183255.0732 -148869.7277 300.4545 6.8752 36.4730 559011.4695 6.4548 6.4486 PRESSURE: 4631400 23.3489 -13.8823 -174.951 -13.8801 -251.821 -36.2002 -174.95 -36.1983 -150.851 GPRESSURE: 4631400 72.3537 -62.5087 -139.05 75.9623 -186.497 30.6238 -151.581 27.8327 -170.133 PRESSAVG: 4631400 17.5876 -3.00621 -51.0479 -3.00624 25.2138 -4.83262 -51.0479 -4.83269 -39.0455 GPRESSAVG: 4631400 17.5848 -3.99084 -51.6501 0.476045 25.3967 -5.2204 -52.3525 -4.79315 -39.6387 TIMING: 4631400 CPU: 13750.5, 0.00293183/step Wall: 13750.5, 0.00293183/step, 0.300187 hours remaining, 209.066406 MB of memory in use. ENERGY: 4631400 735.3105 2133.3695 1932.0270 105.2541 -205866.5410 17761.9977 0.0000 0.0000 34279.6173 -148918.9649 299.3724 -183198.5822 -148830.9233 299.6479 -126.4410 -94.7588 559590.5522 1.2520 1.1143 PRESSURE: 4631600 253.925 -33.7064 -22.6718 -33.7069 46.8697 -34.5628 -22.6693 -34.5631 -137.116 GPRESSURE: 4631600 268.879 -61.5748 8.11429 22.5085 68.9248 2.32468 -85.3506 -73.5486 -70.49 PRESSAVG: 4631600 2.557 -26.7317 -93.4279 -26.7317 41.6885 11.7744 -93.4279 11.7744 -23.7095 GPRESSAVG: 4631600 2.84023 -25.1496 -93.5902 -30.5538 40.9115 12.7666 -92.967 10.8774 -23.2981 TIMING: 4631600 CPU: 13751.1, 0.00294511/step Wall: 13751.1, 0.00294511/step, 0.301383 hours remaining, 209.066406 MB of memory in use. ENERGY: 4631600 739.1639 2066.2490 1957.8960 107.9018 -206302.7308 17880.8001 0.0000 0.0000 34432.1113 -149118.6088 300.7042 -183550.7201 -149018.9402 299.7323 54.5596 89.1046 557045.2882 6.8453 6.8179 PRESSURE: 4631800 -137.773 49.5172 80.8854 49.5165 101.057 16.9817 80.8855 16.9826 -232.35 GPRESSURE: 4631800 -97.0448 92.9789 170.49 16.7258 121.256 -67.0798 94.5747 93.2547 -193.044 PRESSAVG: 4631800 2.76408 -27.7125 -10.7783 -27.7125 -50.2093 28.8865 -10.7784 28.8864 55.8096 GPRESSAVG: 4631800 2.07512 -27.0809 -12.0489 -27.702 -50.5552 26.1998 -9.04395 29.2967 56.5718 TIMING: 4631800 CPU: 13751.7, 0.0029354/step Wall: 13751.7, 0.0029354/step, 0.300226 hours remaining, 209.066406 MB of memory in use. ENERGY: 4631800 747.6685 2113.0303 1943.3444 113.2523 -205832.1566 17751.5646 0.0000 0.0000 34080.2128 -149083.0838 297.6310 -183163.2966 -148991.6176 298.9715 -89.6890 -56.2773 559866.6941 2.7881 2.6972 PRESSURE: 4632000 -122.934 -26.2765 -33.7816 -26.2764 20.3208 220.501 -33.7824 220.502 -363.842 GPRESSURE: 4632000 -118.682 -49.7039 -37.9775 -68.7743 28.3305 165.05 8.05238 252.207 -277.418 PRESSAVG: 4632000 -1.15737 -23.176 0.276643 -23.1761 17.8693 74.2685 0.276658 74.2684 -27.8213 GPRESSAVG: 4632000 0.579392 -24.1514 1.08261 -22.5817 16.5908 75.7582 -1.19369 74.0716 -28.6549 TIMING: 4632000 CPU: 13752.3, 0.00294347/step Wall: 13752.3, 0.00294347/step, 0.300888 hours remaining, 209.066406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4632000 761.5934 2177.5983 1936.7508 111.4260 -205921.4048 17580.6001 0.0000 0.0000 34378.8825 -148974.5535 300.2393 -183353.4360 -148873.0601 299.5529 -155.4850 -122.5899 559411.0362 -3.7031 -3.8282 PRESSURE: 4632200 -297.488 -1.51572 46.2531 -1.51562 -111.791 94.6483 46.2527 94.6493 -320.279 GPRESSURE: 4632200 -275.648 8.32712 129.153 26.2396 -121.729 46.4192 55.5959 -2.75851 -240.128 PRESSAVG: 4632200 36.321 94.0954 12.5492 94.0953 -5.37126 47.0228 12.5493 47.0228 -49.0437 GPRESSAVG: 4632200 35.4905 92.8877 12.3698 95.7823 -3.33854 49.2099 13.7643 46.2155 -50.2361 TIMING: 4632200 CPU: 13752.9, 0.00295729/step Wall: 13752.9, 0.00295729/step, 0.302137 hours remaining, 209.066406 MB of memory in use. ENERGY: 4632200 776.3581 2140.4887 1917.9310 110.2164 -205699.3470 17423.0336 0.0000 0.0000 34333.3665 -148997.9527 299.8418 -183331.3192 -148905.6938 299.9068 -243.1863 -212.5019 559586.7032 -6.0313 -6.0281 LDB: ============= START OF LOAD BALANCING ============== 13756.4 LDB: ============== END OF LOAD BALANCING =============== 13756.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13756.4 LDB: ============= START OF LOAD BALANCING ============== 13756.7 LDB: Largest compute 4802 load 0.022724 is 19.2% of average load 0.118319 LDB: Average compute 0.001738 is 1.5% of average load 0.118319 LDB: TIME 13756.7 LOAD: AVG 0.118319 MAX 0.197369 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 211.117 MB LDB: TIME 13756.7 LOAD: AVG 0.118319 MAX 0.197369 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.121 MB LDB: TIME 13756.7 LOAD: AVG 0.118319 MAX 0.197369 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 211.121 MB LDB: ============== END OF LOAD BALANCING =============== 13756.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13756.7 PRESSURE: 4632400 -285.628 0.796302 -100.879 0.796288 -225.65 149.943 -100.88 149.944 62.5827 GPRESSURE: 4632400 -218.344 24.2359 -39.0424 -17.4855 -154.735 175.865 -88.7141 169.585 33.238 PRESSAVG: 4632400 73.6349 8.93245 18.2953 8.93247 -85.8181 18.0122 18.2953 18.0122 -18.7999 GPRESSAVG: 4632400 74.1837 9.60248 18.66 8.2199 -86.6765 14.9363 17.4818 18.5505 -18.0905 TIMING: 4632400 CPU: 13753.5, 0.0030073/step Wall: 13753.5, 0.0030073/step, 0.307079 hours remaining, 209.039062 MB of memory in use. ENERGY: 4632400 716.9532 2129.9624 1951.3730 118.5817 -206035.2222 17755.7555 0.0000 0.0000 34377.5412 -148985.0552 300.2276 -183362.5964 -148878.0330 300.3505 -149.5651 -113.2804 558862.7498 -10.3277 -10.1944 PRESSURE: 4632600 238.449 -32.9505 -107.936 -32.951 106.325 -4.71548 -107.936 -4.71507 236.072 GPRESSURE: 4632600 291.924 -34.5667 -172.62 -24.8648 165.47 49.1883 -53.3589 14.9223 224.361 PRESSAVG: 4632600 22.7217 8.90373 29.9844 8.90377 63.8931 51.7721 29.9845 51.772 -76.7002 GPRESSAVG: 4632600 22.705 8.05744 29.1668 7.51432 63.1723 53.6574 31.1438 52.3816 -76.3933 TIMING: 4632600 CPU: 13754.1, 0.00295484/step Wall: 13754.1, 0.00295484/step, 0.301558 hours remaining, 209.039062 MB of memory in use. ENERGY: 4632600 721.0003 2125.9649 1931.0649 119.3809 -206481.1791 18209.5234 0.0000 0.0000 34555.5424 -148818.7023 301.7821 -183374.2448 -148716.8591 300.1607 193.6154 227.2519 558055.8167 3.3049 3.1613 PRESSURE: 4632800 26.9704 56.6443 -40.3595 56.6437 249.675 -65.2921 -40.3589 -65.292 77.0351 GPRESSURE: 4632800 80.7358 159.543 -131.561 10.7508 302.086 -121.769 51.2602 1.72676 58.0141 PRESSAVG: 4632800 4.50565 20.5676 -23.9145 20.5676 -0.392943 7.36841 -23.9146 7.36849 -33.4484 GPRESSAVG: 4632800 4.09735 23.1923 -24.1914 20.5635 -0.647758 5.10098 -22.4972 8.23468 -32.727 TIMING: 4632800 CPU: 13754.6, 0.00294552/step Wall: 13754.6, 0.00294552/step, 0.300443 hours remaining, 209.039062 MB of memory in use. ENERGY: 4632800 756.9654 2133.4332 1958.1996 109.5705 -206363.0237 17944.0158 0.0000 0.0000 34576.4329 -148884.4064 301.9646 -183460.8393 -148786.8908 301.2223 117.8934 146.9453 556045.1824 -9.7786 -9.7591 PRESSURE: 4633000 207.687 -34.8861 209.116 -34.886 -137.146 -102.409 209.115 -102.41 40.912 GPRESSURE: 4633000 258.104 5.78479 280.672 -59.703 -116.991 -183.381 139.563 -42.8659 72.7591 PRESSAVG: 4633000 38.2235 14.18 -40.3973 14.18 -33.9977 -48.5272 -40.3973 -48.5272 -22.8763 GPRESSAVG: 4633000 38.3368 15.5566 -37.0245 13.5084 -33.1363 -48.5093 -43.2176 -48.8112 -23.3349 TIMING: 4633000 CPU: 13755.2, 0.00294151/step Wall: 13755.2, 0.00294151/step, 0.299871 hours remaining, 209.039062 MB of memory in use. ENERGY: 4633000 747.4739 2118.6061 1931.2689 122.0809 -206211.9829 18080.6327 0.0000 0.0000 34206.4966 -149005.4238 298.7338 -183211.9204 -148913.5768 300.3922 37.1512 71.2907 557708.8311 -6.2168 -6.0448 PRESSURE: 4633200 -248.295 104.65 44.3314 104.65 -38.7661 -27.4145 44.3298 -27.414 -64.2453 GPRESSURE: 4633200 -180.758 96.2962 30.714 41.0838 -43.8014 -60.492 70.1258 14.9719 -27.9292 PRESSAVG: 4633200 -23.3178 28.9451 17.3691 28.9451 79.715 15.2653 17.3689 15.2653 -54.2569 GPRESSAVG: 4633200 -23.596 26.9062 15.9886 28.8597 80.8308 17.4764 18.8579 13.7706 -54.8513 TIMING: 4633200 CPU: 13755.8, 0.00294164/step Wall: 13755.8, 0.00294164/step, 0.299721 hours remaining, 209.039062 MB of memory in use. ENERGY: 4633200 791.8037 2119.4045 1934.7187 111.0885 -205979.7732 17709.1580 0.0000 0.0000 34555.5035 -148758.0963 301.7818 -183313.5998 -148663.6706 299.7107 -117.1021 -84.1630 558847.9880 0.7134 0.7945 PRESSURE: 4633400 319.231 71.2824 -12.225 71.2809 99.1135 -20.8465 -12.2258 -20.8462 -14.5265 GPRESSURE: 4633400 346.282 36.1879 82.2296 108.163 108.971 -51.3821 -36.9753 -7.02382 37.2186 PRESSAVG: 4633400 13.2439 -55.1393 66.3313 -55.1393 41.1895 -81.6119 66.3313 -81.6119 -72.3373 GPRESSAVG: 4633400 13.5945 -55.8494 65.9897 -54.2332 39.5367 -81.3656 64.9892 -81.3588 -71.1879 TIMING: 4633400 CPU: 13756.4, 0.00295029/step Wall: 13756.4, 0.00295029/step, 0.300437 hours remaining, 209.039062 MB of memory in use. ENERGY: 4633400 824.4450 2079.3807 1916.9706 120.8856 -206030.5845 18058.8419 0.0000 0.0000 34313.8436 -148716.2172 299.6713 -183030.0607 -148619.1343 300.7080 134.6062 164.1571 558976.3952 -5.9680 -6.0189 PRESSURE: 4633600 -23.3757 41.9397 -56.1543 41.9388 -186.469 87.9671 -56.1539 87.9662 71.0419 GPRESSURE: 4633600 -29.3369 57.0406 1.55629 126.703 -144.591 -5.01995 -89.9837 160.587 147.496 PRESSAVG: 4633600 -7.52384 8.66762 -33.2703 8.66752 -67.805 5.02596 -33.2703 5.02594 53.3917 GPRESSAVG: 4633600 -8.44295 9.72357 -36.0262 8.12453 -67.6065 3.70332 -28.2217 4.18914 54.5203 TIMING: 4633600 CPU: 13757, 0.00291629/step Wall: 13757, 0.00291629/step, 0.296813 hours remaining, 209.039062 MB of memory in use. ENERGY: 4633600 744.5533 2133.6965 1914.6124 130.2776 -205768.9797 17603.8345 0.0000 0.0000 34531.5316 -148710.4738 301.5725 -183242.0054 -148604.1148 300.7535 -46.2676 -8.8107 559066.2885 -7.3124 -7.1764 PRESSURE: 4633800 -257.343 -106.009 -106.161 -106.008 94.3332 -22.0488 -106.161 -22.0501 41.9 GPRESSURE: 4633800 -216.473 -112.43 -129.6 -49.6547 97.5012 12.9984 -158.61 61.7321 80.5376 PRESSAVG: 4633800 -37.988 -10.0887 -17.1877 -10.0887 8.2022 -49.5937 -17.1877 -49.5938 1.16837 GPRESSAVG: 4633800 -37.5547 -12.4762 -15.4286 -8.77617 8.99724 -48.2076 -21.8894 -47.7351 0.0820083 TIMING: 4633800 CPU: 13757.6, 0.00292115/step Wall: 13757.6, 0.00292115/step, 0.297146 hours remaining, 209.039062 MB of memory in use. ENERGY: 4633800 779.1452 2158.0880 1943.4430 118.7422 -206053.1941 17738.1643 0.0000 0.0000 34510.8767 -148804.7348 301.3921 -183315.6115 -148707.5848 301.3722 -40.3699 -12.8113 558031.9635 -9.5391 -9.4918 PRESSURE: 4634000 -125.945 79.0719 -12.7129 79.0713 -140.364 13.6034 -12.7127 13.6029 -44.8505 GPRESSURE: 4634000 -138.726 -0.332241 -8.5237 126.144 -88.0667 114.837 -37.4465 31.4442 1.67735 PRESSAVG: 4634000 18.2633 -70.405 5.29063 -70.405 34.206 -10.6094 5.29064 -10.6094 -54.9934 GPRESSAVG: 4634000 17.2636 -70.074 5.16659 -70.4083 35.1658 -10.777 6.47022 -10.4379 -55.0262 TIMING: 4634000 CPU: 13758.2, 0.00292786/step Wall: 13758.2, 0.00292786/step, 0.297666 hours remaining, 209.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4634000 748.0491 2099.8404 1943.5032 119.6575 -205248.8748 17338.8498 0.0000 0.0000 34299.7852 -148699.1897 299.5486 -182998.9749 -148596.4324 300.9710 -103.7199 -75.0385 557553.1071 -0.8414 -0.8656 PRESSURE: 4634200 -220.455 48.2537 -18.8615 48.253 -8.91921 12.7167 -18.861 12.7174 -352.241 GPRESSURE: 4634200 -244.524 -3.38973 -83.7148 63.5754 50.2507 35.3928 46.9385 41.7957 -285.164 PRESSAVG: 4634200 62.3738 -15.7848 -23.3282 -15.7848 1.87748 8.44788 -23.3283 8.44783 -44.297 GPRESSAVG: 4634200 63.8052 -14.1176 -25.1264 -17.1908 0.17518 8.03398 -21.5154 6.24363 -44.1522 TIMING: 4634200 CPU: 13758.8, 0.00294564/step Wall: 13758.8, 0.00294564/step, 0.299309 hours remaining, 209.039062 MB of memory in use. ENERGY: 4634200 767.5980 2054.7127 1945.6371 120.5185 -205549.7611 17440.9214 0.0000 0.0000 34406.5956 -148813.7777 300.4814 -183220.3733 -148710.6627 300.0890 -193.8717 -159.8125 557480.3539 6.6515 6.6094 PRESSURE: 4634400 -130 29.3058 -32.633 29.3061 83.642 -16.3317 -32.6337 -16.3329 -108.85 GPRESSURE: 4634400 10.7876 91.1452 16.4974 48.8579 66.4053 -81.7021 5.09071 18.5553 -127.616 PRESSAVG: 4634400 -13.3284 31.1658 49.435 31.1658 44.5052 8.66808 49.435 8.66803 -15.3777 GPRESSAVG: 4634400 -13.3706 31.5637 51.7876 31.4524 43.9165 8.75621 46.9595 8.13686 -14.6342 TIMING: 4634400 CPU: 13759.3, 0.00293462/step Wall: 13759.3, 0.00293462/step, 0.298027 hours remaining, 209.039062 MB of memory in use. ENERGY: 4634400 777.4349 2125.8347 1961.2628 139.1537 -206422.7011 17881.1894 0.0000 0.0000 34493.0149 -149044.8106 301.2361 -183537.8255 -148952.0466 300.3841 -51.7360 -16.8076 557612.6772 5.2664 5.3039 PRESSURE: 4634600 -24.5235 37.4822 20.5832 37.4816 -116.639 22.3449 20.585 22.3464 -58.6205 GPRESSURE: 4634600 -19.2552 -67.2039 -16.0127 46.6218 -67.3874 88.8739 64.3595 12.2729 -18.3936 PRESSAVG: 4634600 -5.29547 -29.1931 -28.2088 -29.1931 -27.9634 44.8361 -28.2088 44.8362 7.2395 GPRESSAVG: 4634600 -4.72056 -29.6327 -29.6159 -30.308 -27.1491 45.8691 -26.8831 46.0108 5.99154 TIMING: 4634600 CPU: 13759.9, 0.00293399/step Wall: 13759.9, 0.00293399/step, 0.2978 hours remaining, 209.039062 MB of memory in use. ENERGY: 4634600 763.3050 2114.1272 1939.7812 117.1965 -206203.0404 17607.0736 0.0000 0.0000 34503.0382 -149158.5187 301.3236 -183661.5570 -149058.7048 299.8524 -66.5944 -35.0121 556272.0545 -8.6731 -8.6260 PRESSURE: 4634800 -103.602 -87.8663 2.64514 -87.866 44.8632 128.086 2.64492 128.087 -271.186 GPRESSURE: 4634800 -36.7178 -109.543 -3.48113 -51.4803 44.4513 103.004 16.6799 96.2606 -247.495 PRESSAVG: 4634800 54.2348 -0.0482133 -39.72 -0.0482113 36.8438 -0.293195 -39.72 -0.29327 -24.5544 GPRESSAVG: 4634800 53.9431 0.858603 -37.6402 -0.74762 36.096 -1.3455 -41.0489 -0.676008 -23.715 TIMING: 4634800 CPU: 13760.5, 0.00293344/step Wall: 13760.5, 0.00293344/step, 0.297581 hours remaining, 209.039062 MB of memory in use. ENERGY: 4634800 760.3641 2119.7441 1929.8603 125.0789 -206243.2212 17732.9330 0.0000 0.0000 34132.8603 -149442.3803 298.0908 -183575.2407 -149342.2305 299.9226 -109.9752 -79.9205 558282.1017 22.1747 22.1080 PRESSURE: 4635000 59.6876 -10.6164 278.478 -10.6166 -24.1756 -8.17124 278.479 -8.17122 14.2604 GPRESSURE: 4635000 54.5473 -29.3279 316.348 50.0164 14.5772 29.0027 312.772 -15.4659 71.8668 PRESSAVG: 4635000 -4.18924 21.0854 40.1599 21.0854 -4.51051 67.4549 40.1599 67.4549 0.0502957 GPRESSAVG: 4635000 -4.52745 21.1514 39.1329 21.0117 -3.35801 67.2252 41.6209 66.6521 -0.560715 TIMING: 4635000 CPU: 13761.1, 0.00292852/step Wall: 13761.1, 0.00292852/step, 0.296919 hours remaining, 209.039062 MB of memory in use. ENERGY: 4635000 746.3345 2167.7729 1922.5499 117.9935 -206510.8518 17831.8915 0.0000 0.0000 34434.2902 -149290.0194 300.7232 -183724.3096 -149187.3046 299.0163 16.5908 46.9971 556603.8509 -2.8832 -2.8154 PRESSURE: 4635200 -154.031 99.2725 -191.567 99.2719 222.567 164.235 -191.567 164.234 393.975 GPRESSURE: 4635200 -90.465 102.449 -197.127 44.0917 239.498 164.522 -120.567 93.7552 406.003 PRESSAVG: 4635200 -21.4848 -23.5361 -58.1305 -23.5361 20.9018 -0.811834 -58.1305 -0.811813 -1.49821 GPRESSAVG: 4635200 -20.2501 -23.3557 -60.5269 -23.8872 19.7815 -1.94551 -57.1049 -0.239132 -1.45859 TIMING: 4635200 CPU: 13761.7, 0.00292179/step Wall: 13761.7, 0.00292179/step, 0.296075 hours remaining, 209.039062 MB of memory in use. ENERGY: 4635200 720.9266 2094.5363 1951.1878 121.5213 -206269.1591 17908.1650 0.0000 0.0000 34255.4246 -149217.3974 299.1611 -183472.8219 -149124.7238 299.1718 154.1704 185.0120 556467.5730 -0.6937 -0.6424 PRESSURE: 4635400 302.549 -37.0594 -261.582 -37.0598 235.498 -117.824 -261.582 -117.825 71.0556 GPRESSURE: 4635400 339.515 -22.1454 -219.35 -74.4993 234.813 -137.774 -300.553 -152.579 119.73 PRESSAVG: 4635400 -7.66979 14.7852 -46.6075 14.7852 3.33965 44.3034 -46.6076 44.3034 29.2269 GPRESSAVG: 4635400 -9.48849 12.4739 -43.2818 16.8405 3.80436 45.0223 -49.8214 45.0309 30.245 TIMING: 4635400 CPU: 13762.3, 0.00294206/step Wall: 13762.3, 0.00294206/step, 0.297966 hours remaining, 209.039062 MB of memory in use. ENERGY: 4635400 739.7214 2094.8434 1970.4189 121.0746 -206529.5952 18046.7018 0.0000 0.0000 34421.0825 -149135.7526 300.6079 -183556.8352 -149043.3245 300.0799 203.0343 231.3529 557536.1820 8.2989 8.1869 PRESSURE: 4635600 109.513 91.933 -127.722 91.9351 89.901 131.175 -127.721 131.175 28.8954 GPRESSURE: 4635600 179.876 132.347 -183.737 1.73264 60.9571 80.5264 -129.776 89.9413 84.5472 PRESSAVG: 4635600 -20.7007 9.62818 -42.3437 9.62822 7.30579 -58.0757 -42.3437 -58.0757 -16.7066 GPRESSAVG: 4635600 -20.9315 11.3196 -42.5948 9.98208 7.12683 -57.6712 -41.7392 -58.9909 -16.6871 TIMING: 4635600 CPU: 13762.9, 0.00294324/step Wall: 13762.9, 0.00294324/step, 0.297921 hours remaining, 209.039062 MB of memory in use. ENERGY: 4635600 752.6889 2098.4085 1925.8962 136.3553 -206387.5206 17984.5732 0.0000 0.0000 34410.3684 -149079.2301 300.5143 -183489.5985 -148976.4898 300.0027 76.1031 108.4602 556411.0678 -10.0338 -10.1639 PRESSURE: 4635800 -115.909 -68.4922 42.1826 -68.4912 -332.965 60.4841 42.1817 60.4844 -410.047 GPRESSURE: 4635800 -161.463 -114.656 -4.33274 -44.874 -295.197 14.6245 128.892 89.6195 -304.312 PRESSAVG: 4635800 -49.5445 19.9094 -41.8349 19.9094 24.164 -14.4285 -41.8348 -14.4283 -13.3518 GPRESSAVG: 4635800 -49.4097 19.0469 -42.4218 20.9781 23.5277 -15.6481 -40.4007 -14.3977 -13.0859 TIMING: 4635800 CPU: 13763.5, 0.00293962/step Wall: 13763.5, 0.00293962/step, 0.297391 hours remaining, 209.039062 MB of memory in use. ENERGY: 4635800 749.0548 2075.9605 1925.6426 116.9896 -205790.2208 17496.2159 0.0000 0.0000 34354.3867 -149071.9706 300.0254 -183426.3573 -148976.0847 300.0263 -286.3072 -253.6575 558598.3688 -12.9108 -12.9893 PRESSURE: 4636000 -30.2987 32.8864 -134.631 32.8873 71.2632 -54.2051 -134.63 -54.2048 154.284 GPRESSURE: 4636000 1.29189 50.4917 -175.217 -39.8137 113.276 -64.2887 -101.446 17.4984 168.775 PRESSAVG: 4636000 -6.66406 -3.76948 -26.8307 -3.76946 -37.1233 50.987 -26.8308 50.9871 14.357 GPRESSAVG: 4636000 -6.79282 -4.27975 -24.5704 -4.39566 -35.8578 51.3768 -27.9098 52.558 13.1198 TIMING: 4636000 CPU: 13764, 0.00295894/step Wall: 13764, 0.00295894/step, 0.299181 hours remaining, 209.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4636000 735.8661 2104.2418 1924.5866 120.2131 -206168.3892 17825.7233 0.0000 0.0000 34404.5744 -149053.1839 300.4637 -183457.7583 -148958.2661 299.6397 65.0827 94.4477 557533.8751 -9.8101 -9.8436 PRESSURE: 4636200 123.775 -3.43184 91.9411 -3.4312 -296.111 -111.509 91.941 -111.51 37.0194 GPRESSURE: 4636200 109.117 34.5803 59.9842 -33.3481 -200.304 -161.28 97.0043 -147.98 55.5683 PRESSAVG: 4636200 53.5029 -50.6254 20.3278 -50.6253 -25.8969 25.752 20.3277 25.7521 -28.2384 GPRESSAVG: 4636200 54.176 -48.7362 17.6757 -52.3864 -26.4208 27.2398 20.3839 25.2216 -28.5667 TIMING: 4636200 CPU: 13764.6, 0.00295439/step Wall: 13764.6, 0.00295439/step, 0.298557 hours remaining, 209.039062 MB of memory in use. ENERGY: 4636200 733.5374 2045.3700 1926.2368 111.5584 -206079.9240 17754.9820 0.0000 0.0000 34408.9322 -149099.3073 300.5018 -183508.2395 -149009.4779 299.5344 -45.1055 -11.8729 557901.8493 -0.2108 -0.2705 LDB: ============= START OF LOAD BALANCING ============== 13768.2 LDB: ============== END OF LOAD BALANCING =============== 13768.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13768.2 LDB: ============= START OF LOAD BALANCING ============== 13768.5 LDB: Largest compute 4802 load 0.021664 is 18.3% of average load 0.118340 LDB: Average compute 0.001733 is 1.5% of average load 0.118340 LDB: TIME 13768.5 LOAD: AVG 0.11834 MAX 0.19868 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.594 MB LDB: TIME 13768.5 LOAD: AVG 0.11834 MAX 0.19868 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.594 MB LDB: TIME 13768.5 LOAD: AVG 0.11834 MAX 0.19868 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.594 MB LDB: ============== END OF LOAD BALANCING =============== 13768.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13768.5 PRESSURE: 4636400 -369.769 -18.0285 -44.6934 -18.0284 34.1578 153.418 -44.6939 153.418 -110.462 GPRESSURE: 4636400 -339.645 64.1918 -92.2342 -9.98975 92.2861 128.49 71.6391 126.072 -91.2412 PRESSAVG: 4636400 35.7946 37.4705 13.3715 37.4704 52.3392 19.2291 13.3715 19.2289 -64.679 GPRESSAVG: 4636400 35.0284 35.9884 15.2531 39.8975 52.5598 17.5029 14.2268 18.8804 -64.4614 TIMING: 4636400 CPU: 13765.2, 0.00300187/step Wall: 13765.2, 0.00300187/step, 0.303189 hours remaining, 210.402344 MB of memory in use. ENERGY: 4636400 777.3752 2126.2895 1914.2830 111.3272 -205939.4000 17545.0552 0.0000 0.0000 34204.1113 -149260.9586 298.7130 -183465.0699 -149163.3470 299.3732 -148.6909 -112.8668 557103.3929 7.8183 7.7089 PRESSURE: 4636600 -100.292 136.509 -65.4997 136.508 70.0722 -134.614 -65.4991 -134.614 -222.161 GPRESSURE: 4636600 -22.4438 87.938 -69.5759 100.002 83.7003 -190.193 -10.5287 -35.7608 -200.788 PRESSAVG: 4636600 15.6425 61.2967 16.317 61.2968 5.30854 -26.4449 16.3169 -26.445 -5.55471 GPRESSAVG: 4636600 15.8221 62.9865 15.1551 60.0002 5.64302 -23.8834 13.3931 -28.3624 -6.03481 TIMING: 4636600 CPU: 13765.8, 0.00294685/step Wall: 13765.8, 0.00294685/step, 0.297468 hours remaining, 210.605469 MB of memory in use. ENERGY: 4636600 752.2846 2101.5812 1898.2935 113.7906 -206329.1074 17812.6453 0.0000 0.0000 34317.3707 -149333.1416 299.7021 -183650.5123 -149242.6223 299.1650 -84.1272 -46.5106 557258.6738 5.1321 5.1434 PRESSURE: 4636800 -248.202 129.873 -30.4699 129.872 174.399 164.24 -30.4684 164.242 -77.9173 GPRESSURE: 4636800 -215.326 124.146 -53.7016 117.988 199.841 112.472 -26.109 117.13 -34.9082 PRESSAVG: 4636800 1.19934 39.5819 -41.8458 39.5818 -21.8845 15.5783 -41.8458 15.5784 22.9718 GPRESSAVG: 4636800 0.990425 36.6096 -42.3047 40.6966 -22.2145 14.9821 -38.6846 15.9824 23.2271 TIMING: 4636800 CPU: 13766.4, 0.00295412/step Wall: 13766.4, 0.00295412/step, 0.298038 hours remaining, 210.605469 MB of memory in use. ENERGY: 4636800 750.3790 2101.4969 1925.7570 118.6023 -206528.2523 17868.5178 0.0000 0.0000 34348.5728 -149414.9265 299.9746 -183763.4993 -149317.0348 299.6339 -50.5736 -16.7980 557506.1467 0.7622 0.6677 PRESSURE: 4637000 -22.4877 154.349 -129.171 154.35 -55.4893 20.6673 -129.169 20.6674 -357.178 GPRESSURE: 4637000 48.6519 102.428 -72.7168 212.527 -38.442 45.2795 -113.112 -0.286174 -341.893 PRESSAVG: 4637000 55.3618 19.7793 1.80881 19.7793 -45.2921 15.6834 1.80887 15.6833 -1.36917 GPRESSAVG: 4637000 55.8889 20.2179 1.24724 20.575 -45.6742 14.5208 2.83281 16.7429 -1.17806 TIMING: 4637000 CPU: 13767, 0.00295798/step Wall: 13767, 0.00295798/step, 0.298263 hours remaining, 210.605469 MB of memory in use. ENERGY: 4637000 769.9732 2095.2916 1932.4420 116.6291 -205973.4564 17723.4823 0.0000 0.0000 33958.9590 -149376.6792 296.5720 -183335.6382 -149278.2731 298.3291 -145.0516 -110.5610 558269.1192 2.9002 3.0122 PRESSURE: 4637200 -71.1843 56.6291 24.6547 56.629 -23.5158 -145.662 24.6549 -145.661 -29.1656 GPRESSURE: 4637200 -4.6759 59.5587 41.4827 76.9223 2.12664 -87.2939 13.0201 -215.049 -29.5178 PRESSAVG: 4637200 26.9046 7.87655 -42.8521 7.87657 25.5327 15.2776 -42.8521 15.2774 -8.50629 GPRESSAVG: 4637200 27.0876 9.77167 -41.9455 6.34224 25.7917 17.5345 -45.1313 13.9078 -9.1128 TIMING: 4637200 CPU: 13767.6, 0.00292695/step Wall: 13767.6, 0.00292695/step, 0.294972 hours remaining, 210.605469 MB of memory in use. ENERGY: 4637200 752.2568 2090.6951 1957.8737 118.9101 -206047.3560 17668.6167 0.0000 0.0000 34227.9178 -149231.0858 298.9209 -183459.0037 -149137.1699 298.9749 -41.2886 -10.6890 556607.7806 14.6437 14.5888 PRESSURE: 4637400 -32.9737 -60.4569 -129.127 -60.457 -44.4658 59.3758 -129.127 59.3761 -63.2402 GPRESSURE: 4637400 -16.8707 -27.4389 -110.197 -36.831 3.28616 33.2746 -129.111 44.1907 -22.557 PRESSAVG: 4637400 22.0665 -18.6254 20.6689 -18.6254 10.7886 0.523831 20.669 0.523756 -20.217 GPRESSAVG: 4637400 21.2872 -18.3594 19.5819 -17.9155 11.398 1.99409 20.7665 0.755483 -20.1334 TIMING: 4637400 CPU: 13768.2, 0.00295212/step Wall: 13768.2, 0.00295212/step, 0.297344 hours remaining, 210.605469 MB of memory in use. ENERGY: 4637400 757.2300 2093.4165 1928.2641 107.7142 -206254.9965 17763.4266 0.0000 0.0000 34323.6551 -149281.2900 299.7570 -183604.9451 -149185.1406 298.8951 -46.8932 -12.0472 558206.5882 4.2127 4.1839 PRESSURE: 4637600 -171.545 63.6791 32.8317 63.6782 242.359 -79.6708 32.8311 -79.6716 -138.838 GPRESSURE: 4637600 -175.009 78.9878 -47.3521 35.4038 316.704 31.0846 58.1917 -132.241 -113.05 PRESSAVG: 4637600 -27.6641 -13.6847 33.9469 -13.6848 45.6914 26.85 33.947 26.8499 -0.867106 GPRESSAVG: 4637600 -28.2954 -12.823 34.7716 -16.8798 45.3769 24.359 32.3955 27.434 0.699655 TIMING: 4637600 CPU: 13768.8, 0.00295907/step Wall: 13768.8, 0.00295907/step, 0.29788 hours remaining, 210.605469 MB of memory in use. ENERGY: 4637600 739.5336 2084.2472 1926.2913 128.3860 -206317.5848 17809.4384 0.0000 0.0000 34352.7409 -149276.9474 300.0110 -183629.6883 -149184.4039 299.3919 -22.6750 9.5483 558947.9245 5.7200 5.9271 PRESSURE: 4637800 -12.2596 -56.7099 -86.9492 -56.7101 -216.67 58.2463 -86.9494 58.2463 -38.3439 GPRESSURE: 4637800 -8.34286 -66.0101 -72.8521 -69.1404 -143.275 114.01 -104.157 -14.0249 -23.372 PRESSAVG: 4637800 39.0437 -42.7023 -0.0214295 -42.7024 34.37 27.2085 -0.0213865 27.2084 -76.7401 GPRESSAVG: 4637800 38.9792 -44.0258 0.725533 -41.6092 35.2561 28.7297 1.65032 26.5175 -77.9786 TIMING: 4637800 CPU: 13769.4, 0.00293858/step Wall: 13769.4, 0.00293858/step, 0.295654 hours remaining, 210.605469 MB of memory in use. ENERGY: 4637800 741.7542 2094.4941 1932.3794 107.7313 -206459.7816 17919.8405 0.0000 0.0000 34178.5423 -149485.0398 298.4897 -183663.5821 -149388.0601 299.0342 -89.0911 -58.3299 559330.1916 -1.1088 -1.2478 PRESSURE: 4638000 113.051 20.4182 113.026 20.4174 131.385 -126.433 113.027 -126.432 -27.6504 GPRESSURE: 4638000 174.506 28.9781 54.0739 16.6561 132.46 -116.146 107.444 -69.2598 4.88302 PRESSAVG: 4638000 -53.5431 -15.4934 20.7918 -15.4935 -4.54601 -19.8126 20.7918 -19.8126 24.2114 GPRESSAVG: 4638000 -52.8164 -15.4564 19.2313 -16.0039 -5.64814 -20.975 18.8899 -18.4105 25.2772 TIMING: 4638000 CPU: 13770, 0.00293949/step Wall: 13770, 0.00293949/step, 0.295582 hours remaining, 210.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4638000 747.9422 2087.9007 1953.8223 112.9162 -206402.6406 17975.2725 0.0000 0.0000 34155.5609 -149369.2259 298.2890 -183524.7868 -149270.8797 298.2968 72.2622 103.9496 557382.3734 -11.2926 -11.0625 PRESSURE: 4638200 70.5032 21.3777 -126.949 21.378 -54.1594 -92.5471 -126.948 -92.5456 -86.0879 GPRESSURE: 4638200 122.85 10.0409 -155.764 84.3459 -33.8008 -59.9191 -73.2189 -96.6427 -65.2219 PRESSAVG: 4638200 62.4834 -14.5665 -30.0683 -14.5665 -77.0137 -2.72439 -30.0683 -2.72436 -17.6565 GPRESSAVG: 4638200 62.1152 -16.212 -30.5759 -12.7308 -76.418 -1.62196 -26.9048 -4.55144 -18.6952 TIMING: 4638200 CPU: 13770.5, 0.00294633/step Wall: 13770.5, 0.00294633/step, 0.296107 hours remaining, 210.605469 MB of memory in use. ENERGY: 4638200 726.3571 2063.8011 1944.4840 111.0554 -206303.4710 17766.3135 0.0000 0.0000 34303.3851 -149388.0747 299.5800 -183691.4598 -149291.6717 299.3996 -23.2480 7.9423 558458.8317 -10.7289 -10.9994 PRESSURE: 4638400 -134.627 -47.5561 2.85048 -47.5555 -357.616 79.5472 2.84968 79.5477 -398.994 GPRESSURE: 4638400 -71.7172 -9.5959 -37.1321 -80.2453 -369.388 -39.1235 31.1589 213.251 -354.958 PRESSAVG: 4638400 89.4295 -56.7506 9.46972 -56.7506 -16.5724 33.4531 9.46975 33.4532 -36.2569 GPRESSAVG: 4638400 89.3281 -54.9111 10.2442 -57.1221 -17.0442 31.8739 7.57791 34.3847 -36.1602 TIMING: 4638400 CPU: 13771.1, 0.00295375/step Wall: 13771.1, 0.00295375/step, 0.296687 hours remaining, 210.605469 MB of memory in use. ENERGY: 4638400 758.3045 2113.9205 1928.9121 99.4934 -205866.7901 17228.2790 0.0000 0.0000 34338.9305 -149398.9503 299.8904 -183737.8807 -149310.9711 298.1576 -297.0788 -265.3545 557566.0106 12.2001 12.0412 PRESSURE: 4638600 -67.8408 97.3332 9.19563 97.3335 57.7439 73.9845 9.1954 73.9844 -132.436 GPRESSURE: 4638600 -7.8306 -5.39302 60.2536 202.043 79.6435 179.919 -36.5659 63.8641 -115.531 PRESSAVG: 4638600 7.85313 55.3094 -14.5301 55.3095 9.23622 -11.1202 -14.5302 -11.1202 -30.2682 GPRESSAVG: 4638600 8.20637 53.2405 -14.1458 57.8473 9.08935 -8.07757 -14.552 -12.1278 -30.3666 TIMING: 4638600 CPU: 13771.7, 0.00294052/step Wall: 13771.7, 0.00294052/step, 0.295195 hours remaining, 210.605469 MB of memory in use. ENERGY: 4638600 714.5859 2107.0657 1940.2407 121.2322 -205716.9142 17549.2364 0.0000 0.0000 34150.0326 -149134.5208 298.2407 -183284.5534 -149037.9249 298.7891 -47.5108 -14.5726 557299.9137 -4.3930 -4.3570 PRESSURE: 4638800 -158.461 93.9776 -39.9627 93.976 -120.223 -64.6426 -39.9624 -64.6416 28.4079 GPRESSURE: 4638800 -82.3105 113.358 -110.589 59.2361 -105.908 -83.0376 38.3538 -44.7198 35.6444 PRESSAVG: 4638800 61.9062 64.9756 17.9967 64.9756 -62.8771 23.9971 17.9966 23.9972 -20.4974 GPRESSAVG: 4638800 63.6713 65.4013 17.1267 62.7336 -64.093 21.4401 18.3702 25.1372 -20.9766 TIMING: 4638800 CPU: 13772.3, 0.00292699/step Wall: 13772.3, 0.00292699/step, 0.293674 hours remaining, 210.605469 MB of memory in use. ENERGY: 4638800 771.3464 2007.7825 1918.8290 101.7292 -205604.6291 17582.1959 0.0000 0.0000 34085.8138 -149136.9323 297.6799 -183222.7461 -149044.7217 299.5140 -83.4256 -50.8580 556214.3307 -7.1561 -7.1328 PRESSURE: 4639000 299.122 95.8656 -82.2281 95.8659 -253.594 218.691 -82.2282 218.688 -58.3573 GPRESSURE: 4639000 316.109 56.5208 -41.3918 57.8847 -190.491 224.734 -39.242 82.1084 -26.6598 PRESSAVG: 4639000 44.0824 -29.7066 -50.0116 -29.7065 4.14943 -2.20902 -50.0116 -2.20906 -12.0284 GPRESSAVG: 4639000 42.1953 -28.5063 -50.7615 -30.8121 5.56044 -2.65779 -49.1784 -2.11243 -11.7509 TIMING: 4639000 CPU: 13772.9, 0.00293711/step Wall: 13772.9, 0.00293711/step, 0.294527 hours remaining, 210.605469 MB of memory in use. ENERGY: 4639000 774.5040 2069.8620 1953.2570 109.6771 -206452.2516 17901.8342 0.0000 0.0000 34250.4002 -149392.7171 299.1173 -183643.1173 -149294.6523 299.1583 -4.2765 32.9860 556405.4919 12.0678 12.0016 PRESSURE: 4639200 28.217 -206.54 4.50196 -206.54 -58.9131 -46.6713 4.50283 -46.6703 -160.95 GPRESSURE: 4639200 37.0651 -168.979 -9.2547 -149.264 4.44715 -38.0041 49.5257 -143.676 -129.127 PRESSAVG: 4639200 57.2325 -18.6825 31.4717 -18.6826 -35.6127 -10.1747 31.4718 -10.1747 -11.0269 GPRESSAVG: 4639200 57.4141 -17.9462 32.2552 -16.4463 -34.9709 -10.954 30.2516 -10.5805 -11.5705 TIMING: 4639200 CPU: 13773.5, 0.00293016/step Wall: 13773.5, 0.00293016/step, 0.293667 hours remaining, 210.605469 MB of memory in use. ENERGY: 4639200 738.4108 2114.3966 1948.4992 115.1580 -206227.3309 17698.1320 0.0000 0.0000 34320.4319 -149292.3024 299.7289 -183612.7343 -149199.1599 299.5285 -63.8820 -29.2049 556042.6905 3.5310 3.6243 PRESSURE: 4639400 218.201 94.8787 320.513 94.8785 231.172 -24.3041 320.513 -24.3057 45.6536 GPRESSURE: 4639400 211.785 9.8304 380.881 147.833 270.499 41.2294 317.942 -0.704542 119.694 PRESSAVG: 4639400 28.6747 6.75497 26.2753 6.755 23.006 -14.6993 26.2752 -14.6992 -25.9602 GPRESSAVG: 4639400 28.1803 3.52528 25.4084 7.0035 22.1813 -11.9101 26.218 -14.4743 -24.5505 TIMING: 4639400 CPU: 13774.1, 0.00293196/step Wall: 13774.1, 0.00293196/step, 0.293685 hours remaining, 210.605469 MB of memory in use. ENERGY: 4639400 708.4342 2063.3936 1891.4462 116.8149 -206430.9074 17962.3542 0.0000 0.0000 34314.4400 -149374.0243 299.6765 -183688.4643 -149271.7346 299.5693 165.0087 200.6594 555966.6698 8.5735 8.6037 PRESSURE: 4639600 107.364 -123.422 86.9385 -123.423 -45.7471 -62.475 86.9389 -62.4751 -20.9045 GPRESSURE: 4639600 112.029 -40.8901 121.548 -146.585 -22.0886 -87.7278 -24.6086 -60.7264 52.5351 PRESSAVG: 4639600 -31.5969 24.2206 17.7219 24.2205 26.2067 -24.7561 17.7219 -24.7561 -12.6464 GPRESSAVG: 4639600 -32.2657 26.4866 18.16 23.0361 26.083 -26.6361 17.9542 -24.1687 -12.1275 TIMING: 4639600 CPU: 13774.7, 0.00296678/step Wall: 13774.7, 0.00296678/step, 0.297008 hours remaining, 210.605469 MB of memory in use. ENERGY: 4639600 737.8657 2053.2518 1924.7466 111.7585 -206125.4672 17838.6516 0.0000 0.0000 34172.6785 -149286.5145 298.4385 -183459.1930 -149187.3793 299.2210 13.5709 47.4918 557175.9404 -6.0122 -6.1034 PRESSURE: 4639800 -101.146 63.9026 112.319 63.9019 -29.4098 -133.878 112.319 -133.879 40.9701 GPRESSURE: 4639800 -65.9568 8.67509 185.176 29.1809 -2.9406 -107.828 135.622 -134.627 83.75 PRESSAVG: 4639800 49.0796 12.4869 4.85289 12.4869 -30.8228 -37.5795 4.85282 -37.5795 -4.05481 GPRESSAVG: 4639800 49.4637 8.67896 5.4769 13.6921 -30.9528 -36.7223 5.32956 -38.5815 -4.27578 TIMING: 4639800 CPU: 13775.2, 0.00296444/step Wall: 13775.2, 0.00296444/step, 0.296609 hours remaining, 210.605469 MB of memory in use. ENERGY: 4639800 710.4874 2126.5206 1938.7462 105.5628 -205851.0355 17621.2769 0.0000 0.0000 33904.5824 -149443.8591 296.0972 -183348.4416 -149347.3320 298.9545 -29.8619 4.9509 557409.2442 4.7340 4.7451 PRESSURE: 4640000 22.2696 -65.7791 -146.668 -65.7784 227.278 69.3451 -146.67 69.3442 160.571 GPRESSURE: 4640000 74.2352 -31.4849 -189.63 -38.5609 255.662 120.209 -135.449 64.8647 170.594 PRESSAVG: 4640000 -6.93364 -26.3103 -8.7743 -26.3103 -16.3231 21.2307 -8.77433 21.2308 -27.5193 GPRESSAVG: 4640000 -6.15926 -25.566 -7.41384 -25.621 -15.7506 19.245 -10.0657 21.9405 -28.5584 TIMING: 4640000 CPU: 13775.8, 0.00294828/step Wall: 13775.8, 0.00294828/step, 0.294828 hours remaining, 210.605469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4640000 730.8667 2076.3559 1934.7639 117.0490 -206490.7870 17969.3049 0.0000 0.0000 34051.2118 -149611.2350 297.3777 -183662.4468 -149515.5199 297.2498 136.7060 166.8305 554862.6583 -16.9253 -16.8228 PRESSURE: 4640200 -467.646 -7.33207 7.88192 -7.33209 23.0051 -133.368 7.8802 -133.367 -191.66 GPRESSURE: 4640200 -450.827 41.2553 44.073 -26.6431 107.499 -157.286 -80.6503 -93.4113 -204.172 PRESSAVG: 4640200 -33.3779 -3.68583 -0.471573 -3.68583 -10.5069 -55.658 -0.471623 -55.658 29.4054 GPRESSAVG: 4640200 -33.3923 -3.88644 -1.52625 -3.1593 -10.9428 -53.4387 1.86305 -57.2619 29.6152 TIMING: 4640200 CPU: 13776.4, 0.00294487/step Wall: 13776.4, 0.00294487/step, 0.294323 hours remaining, 210.605469 MB of memory in use. ENERGY: 4640200 807.8291 2059.9122 1922.5549 131.3126 -206440.8095 17783.6419 0.0000 0.0000 34067.3180 -149668.2408 297.5184 -183735.5588 -149574.2526 297.6927 -212.1001 -182.4999 556677.3286 -4.8265 -4.9066 LDB: ============= START OF LOAD BALANCING ============== 13780 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13780 LDB: =============== DONE WITH MIGRATION ================ 13780 LDB: ============= START OF LOAD BALANCING ============== 13780.3 LDB: Largest compute 4801 load 0.022199 is 18.8% of average load 0.118227 LDB: Average compute 0.001736 is 1.5% of average load 0.118227 LDB: TIME 13780.3 LOAD: AVG 0.118227 MAX 0.195655 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.121 MB LDB: TIME 13780.3 LOAD: AVG 0.118227 MAX 0.195655 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.121 MB LDB: TIME 13780.3 LOAD: AVG 0.118227 MAX 0.195655 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.121 MB LDB: ============== END OF LOAD BALANCING =============== 13780.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13780.3 PRESSURE: 4640400 -100.743 -57.4453 14.2865 -57.4448 -348.568 -67.0036 14.2866 -67.0047 -44.7583 GPRESSURE: 4640400 -105.806 -12.0343 54.1773 116.95 -336.621 -32.3039 32.8088 -138.096 40.0222 PRESSAVG: 4640400 44.2748 -14.742 -18.2877 -14.742 -22.0228 -32.7424 -18.2877 -32.7424 1.98221 GPRESSAVG: 4640400 43.4417 -12.6855 -18.4559 -16.8223 -21.6988 -33.9443 -17.8096 -31.6113 2.3979 TIMING: 4640400 CPU: 13777, 0.00298518/step Wall: 13777, 0.00298518/step, 0.298186 hours remaining, 207.636719 MB of memory in use. ENERGY: 4640400 722.8929 2101.4315 1888.6396 107.5591 -206606.0721 17814.4473 0.0000 0.0000 34192.0771 -149779.0246 298.6079 -183971.1017 -149673.5766 297.4631 -164.6897 -134.1347 556916.7513 8.0781 8.0469 PRESSURE: 4640600 165.477 -27.7688 70.85 -27.7691 65.9502 -16.8455 70.8502 -16.8471 -131.992 GPRESSURE: 4640600 181.501 -63.293 114.881 -0.952355 66.556 -50.848 42.716 -19.9617 -53.5755 PRESSAVG: 4640600 74.6158 -4.15371 60.7023 -4.15364 -65.8932 -38.058 60.7023 -38.058 13.9488 GPRESSAVG: 4640600 75.7723 -4.14254 60.6748 -4.20745 -67.7981 -38.7291 57.4166 -37.9226 14.8118 TIMING: 4640600 CPU: 13777.6, 0.00292921/step Wall: 13777.6, 0.00292921/step, 0.292433 hours remaining, 207.636719 MB of memory in use. ENERGY: 4640600 726.3221 2110.3333 1908.6454 111.8748 -206417.5508 17834.0847 0.0000 0.0000 34126.6325 -149599.6579 298.0364 -183726.2904 -149505.3168 297.9490 33.1453 64.8270 557572.2963 7.5571 7.5953 PRESSURE: 4640800 -337.426 -63.9733 52.1659 -63.9732 -16.8715 24.7893 52.1665 24.7919 159.723 GPRESSURE: 4640800 -299.636 -129.391 186.385 -0.252146 14.7984 30.5941 4.87039 50.5856 177.449 PRESSAVG: 4640800 -54.1254 5.31995 17.0298 5.31994 -7.79279 -15.7475 17.0297 -15.7475 51.9252 GPRESSAVG: 4640800 -53.3847 5.11057 17.3093 6.96493 -6.42397 -14.0688 19.2203 -16.1815 50.2866 TIMING: 4640800 CPU: 13778.2, 0.00291944/step Wall: 13778.2, 0.00291944/step, 0.291296 hours remaining, 207.636719 MB of memory in use. ENERGY: 4640800 730.0398 2128.4594 1950.7165 107.5297 -206706.6018 17931.6924 0.0000 0.0000 34463.0361 -149395.1279 300.9743 -183858.1640 -149302.0119 298.9105 -64.8582 -35.7962 558693.7427 -3.3310 -3.1740 PRESSURE: 4641000 -294.637 51.1581 -65.2313 51.1593 49.203 -54.369 -65.23 -54.3702 165.538 GPRESSURE: 4641000 -188.279 51.3974 -64.8317 65.0285 32.0234 -44.0556 -86.0932 -94.0629 167.705 PRESSAVG: 4641000 24.1888 -18.7036 -28.35 -18.7036 -61.0016 -17.8968 -28.3499 -17.8968 -8.60583 GPRESSAVG: 4641000 23.8178 -18.9343 -28.506 -19.7467 -62.1963 -18.8274 -30.6652 -17.6633 -7.60552 TIMING: 4641000 CPU: 13778.8, 0.0029209/step Wall: 13778.8, 0.0029209/step, 0.291278 hours remaining, 207.636719 MB of memory in use. ENERGY: 4641000 737.1416 2081.5738 1905.1672 111.1082 -206410.2714 17800.0561 0.0000 0.0000 34283.4450 -149491.7795 299.4059 -183775.2245 -149396.8953 299.1183 -26.6318 3.8166 558092.6256 -15.1395 -15.3280 PRESSURE: 4641200 -251.034 -48.2503 -124.097 -48.2494 71.0992 -64.7216 -124.097 -64.7208 86.459 GPRESSURE: 4641200 -214.069 -64.7492 -213.475 -6.67891 95.2443 -82.1166 -60.8607 -193.817 116.32 PRESSAVG: 4641200 -22.7899 -5.00424 -55.3855 -5.00421 4.11649 43.8069 -55.3855 43.807 -36.1171 GPRESSAVG: 4641200 -23.6589 -5.93053 -55.692 -4.10802 5.8602 42.7038 -53.9987 46.1854 -36.6846 TIMING: 4641200 CPU: 13779.4, 0.00293678/step Wall: 13779.4, 0.00293678/step, 0.292699 hours remaining, 207.636719 MB of memory in use. ENERGY: 4641200 735.0305 2131.7134 1941.0531 126.0292 -206244.4633 17714.2292 0.0000 0.0000 34208.6961 -149387.7118 298.7531 -183596.4079 -149288.5035 299.0275 -31.1584 -0.8351 557273.6495 -18.2635 -18.1611 PRESSURE: 4641400 -30.7372 9.81498 -80.1298 9.81529 110.132 51.5161 -80.1305 51.5157 -168.65 GPRESSURE: 4641400 -45.9395 13.1005 -76.1693 32.202 209.776 70.832 -16.986 28.8512 -169.3 PRESSAVG: 4641400 -17.14 -23.8376 -26.1504 -23.8375 -12.795 3.26372 -26.1505 3.26384 48.2093 GPRESSAVG: 4641400 -16.2526 -22.9347 -26.4077 -25.0785 -12.3561 5.20055 -25.4951 -0.43614 47.1703 TIMING: 4641400 CPU: 13780, 0.00293276/step Wall: 13780, 0.00293276/step, 0.292135 hours remaining, 207.636719 MB of memory in use. ENERGY: 4641400 741.2008 2113.6491 1916.1726 110.9717 -206543.9020 17847.1584 0.0000 0.0000 34260.4812 -149554.2682 299.2053 -183814.7494 -149460.0304 298.4913 -29.7518 -1.8212 556672.3906 6.0915 6.1872 PRESSURE: 4641600 -170.252 -50.5087 113.113 -50.509 -17.8435 -150.109 113.112 -150.109 -17.8516 GPRESSURE: 4641600 -112.957 -2.52139 83.641 -52.1279 -66.0526 -153.823 124.858 -113.919 68.0928 PRESSAVG: 4641600 24.0757 9.53648 -30.5656 9.53649 77.3944 19.1368 -30.5655 19.1368 -40.2845 GPRESSAVG: 4641600 23.0079 8.23496 -31.6349 10.2533 76.6324 17.4377 -29.7838 20.9632 -38.0848 TIMING: 4641600 CPU: 13780.5, 0.00292607/step Wall: 13780.5, 0.00292607/step, 0.291307 hours remaining, 207.636719 MB of memory in use. ENERGY: 4641600 760.1511 2120.6951 1912.4598 114.0233 -206462.8982 17760.8854 0.0000 0.0000 34377.5380 -149417.1454 300.2276 -183794.6834 -149315.8334 298.6796 -68.6490 -36.9721 558056.5941 20.3952 20.5185 PRESSURE: 4641800 -87.0325 -74.9009 111.83 -74.9011 -213.175 -122.659 111.829 -122.661 159.797 GPRESSURE: 4641800 -72.952 -182.108 118.274 -13.0967 -140.772 -178.925 97.9528 -148.995 166.194 PRESSAVG: 4641800 50.2518 -39.1371 -20.1678 -39.1371 -14.2142 -47.8105 -20.1678 -47.8106 -20.0241 GPRESSAVG: 4641800 50.7283 -37.8016 -18.3979 -40.7293 -12.6022 -47.7927 -21.3476 -47.6083 -21.5946 TIMING: 4641800 CPU: 13781.1, 0.00294252/step Wall: 13781.1, 0.00294252/step, 0.292781 hours remaining, 207.636719 MB of memory in use. ENERGY: 4641800 748.4224 2060.7845 1934.3579 113.5128 -206378.0724 17820.0944 0.0000 0.0000 34283.0597 -149417.8408 299.4025 -183700.9005 -149323.8237 298.9734 -46.8035 -15.8433 556996.5273 5.3378 5.5105 PRESSURE: 4642000 25.6039 -33.2052 158.337 -33.2059 85.2727 18.638 158.338 18.6369 -164.35 GPRESSURE: 4642000 49.4944 26.7017 91.2623 37.282 122.88 -85.1994 200.353 36.7569 -130.65 PRESSAVG: 4642000 47.9345 -18.0511 -17.1061 -18.0512 -14.4266 -31.282 -17.1062 -31.2818 -5.08121 GPRESSAVG: 4642000 47.8849 -17.3905 -19.4472 -16.1158 -16.6561 -32.7773 -16.2087 -30.9225 -2.98427 TIMING: 4642000 CPU: 13781.7, 0.00292858/step Wall: 13781.7, 0.00292858/step, 0.291231 hours remaining, 207.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4642000 715.7131 2127.5973 1941.0584 119.6207 -206167.5814 17624.5085 0.0000 0.0000 34148.6773 -149490.4060 298.2289 -183639.0833 -149387.7464 298.7131 -17.8245 13.9081 556191.0655 9.4756 9.4149 PRESSURE: 4642200 18.0555 -33.8021 14.9649 -33.8031 -358.047 45.6955 14.9664 45.6955 -245.816 GPRESSURE: 4642200 41.5558 -96.0936 8.20905 -19.0431 -333.745 92.1561 -14.3707 -13.238 -197.853 PRESSAVG: 4642200 37.1386 -64.4121 -19.0401 -64.4121 2.09474 -48.172 -19.0402 -48.1721 -6.57502 GPRESSAVG: 4642200 37.8923 -66.6206 -17.1185 -64.8475 2.18672 -45.9739 -20.177 -49.6026 -7.65624 TIMING: 4642200 CPU: 13782.3, 0.00292067/step Wall: 13782.3, 0.00292067/step, 0.290282 hours remaining, 207.636719 MB of memory in use. ENERGY: 4642200 780.3952 2065.8962 1916.3372 106.8093 -206045.3461 17681.6047 0.0000 0.0000 34109.2364 -149385.0671 297.8844 -183494.3035 -149288.1561 299.0552 -195.2692 -163.3474 556563.4222 10.8861 10.8076 PRESSURE: 4642400 -34.4823 -150.206 -33.782 -150.204 -27.3067 -82.8211 -33.783 -82.8218 -37.7865 GPRESSURE: 4642400 25.1974 -225.874 -36.4851 -147.872 -45.4954 -36.3078 46.1309 -83.1732 6.08119 PRESSAVG: 4642400 29.6191 -47.1655 2.04759 -47.1655 -47.3263 -1.97984 2.0476 -1.97987 -27.4771 GPRESSAVG: 4642400 29.2002 -45.9054 1.55397 -46.921 -46.0887 -2.22884 3.126 -2.53319 -28.4645 TIMING: 4642400 CPU: 13782.9, 0.00293278/step Wall: 13782.9, 0.00293278/step, 0.291323 hours remaining, 207.636719 MB of memory in use. ENERGY: 4642400 743.1628 2117.1471 1929.8838 112.6728 -206097.7787 17841.7938 0.0000 0.0000 34012.1255 -149340.9929 297.0364 -183353.1184 -149249.4901 298.5569 -33.1918 -4.7389 557792.1953 -15.0614 -15.1177 PRESSURE: 4642600 74.9967 -188.14 -109.085 -188.139 -54.778 126.005 -109.085 126.006 -413.339 GPRESSURE: 4642600 77.1171 -160.799 -110.864 -177.11 -18.9929 170.559 -118.854 96.741 -349.738 PRESSAVG: 4642600 -17.6353 -90.5084 -20.8621 -90.5084 45.4324 -26.178 -20.8621 -26.1779 -54.4364 GPRESSAVG: 4642600 -17.7918 -91.6824 -22.5763 -89.3895 44.5766 -26.7008 -21.7878 -23.8362 -54.3556 TIMING: 4642600 CPU: 13783.5, 0.0029386/step Wall: 13783.5, 0.0029386/step, 0.291738 hours remaining, 207.636719 MB of memory in use. ENERGY: 4642600 784.2976 2077.1670 1913.6588 106.0100 -206064.2769 17658.9132 0.0000 0.0000 34165.4229 -149358.8074 298.3751 -183524.2303 -149269.2433 298.6443 -131.0402 -97.2047 557858.0817 -8.8798 -9.1902 PRESSURE: 4642800 260.309 -184.785 28.5513 -184.784 -88.0367 -38.4475 28.552 -38.4479 193.728 GPRESSURE: 4642800 237.666 -146.741 -8.97953 -236.777 0.177793 -20.1414 1.23855 14.7683 215.213 PRESSAVG: 4642800 55.1468 -4.95072 -39.8097 -4.95077 -20.3436 0.155843 -39.8098 0.155887 -8.50536 GPRESSAVG: 4642800 54.836 -4.58002 -38.1848 -3.59961 -19.6078 0.892744 -41.7253 -1.58481 -8.39939 TIMING: 4642800 CPU: 13784.1, 0.00294358/step Wall: 13784.1, 0.00294358/step, 0.292069 hours remaining, 207.636719 MB of memory in use. ENERGY: 4642800 771.3425 2110.2091 1922.6303 107.3447 -206856.7508 18172.3330 0.0000 0.0000 34456.5088 -149316.3825 300.9173 -183772.8913 -149223.5268 299.4752 122.0000 151.0192 556217.1426 8.7660 8.9429 PRESSURE: 4643000 261.193 17.6846 -47.5806 17.6853 30.7033 25.002 -47.5795 25.0026 27.0022 GPRESSURE: 4643000 316.709 67.0493 70.6194 13.8446 53.7542 21.4008 -19.0083 25.086 46.3671 PRESSAVG: 4643000 34.1102 -19.0232 -69.5106 -19.0231 -31.6595 7.22837 -69.5106 7.22841 52.6932 GPRESSAVG: 4643000 34.6796 -17.8562 -69.2058 -21.3353 -32.1922 5.61589 -66.5674 8.90495 52.8396 TIMING: 4643000 CPU: 13784.6, 0.00295028/step Wall: 13784.6, 0.00295028/step, 0.292569 hours remaining, 207.636719 MB of memory in use. ENERGY: 4643000 738.9739 2103.4637 1929.3976 104.0478 -206527.7452 17894.1704 0.0000 0.0000 34431.8755 -149325.8163 300.7021 -183757.6918 -149229.1978 299.5154 106.2995 138.9436 555209.4622 18.3813 18.4423 PRESSURE: 4643200 102.899 30.5118 -77.2448 30.5146 165.01 -85.7881 -77.2454 -85.7888 -146.429 GPRESSURE: 4643200 113.58 37.3543 -89.1929 51.3827 178.038 -31.3338 -97.8954 -57.2615 -67.2612 PRESSAVG: 4643200 15.404 -50.0582 -84.7977 -50.0582 18.0349 -29.2988 -84.7976 -29.299 -6.79736 GPRESSAVG: 4643200 15.8192 -49.255 -84.3125 -50.5123 17.9465 -27.3919 -84.9472 -30.3659 -7.18081 TIMING: 4643200 CPU: 13785.2, 0.002924/step Wall: 13785.2, 0.002924/step, 0.289801 hours remaining, 207.636719 MB of memory in use. ENERGY: 4643200 722.0929 2082.9832 1929.8522 123.0892 -206232.6963 17787.3428 0.0000 0.0000 34300.3127 -149287.0233 299.5532 -183587.3360 -149187.9435 299.7710 40.4932 74.7856 554967.4587 8.8805 8.8616 PRESSURE: 4643400 -241.838 -39.5018 -54.2362 -39.502 -547.142 -14.8235 -54.2377 -14.8233 -322.233 GPRESSURE: 4643400 -314.847 -105.09 -60.1534 -15.3394 -471.201 -14.4799 -100.42 -9.80389 -238.983 PRESSAVG: 4643400 -24.1276 6.04245 -4.36046 6.0425 -9.06007 -27.966 -4.3604 -27.9659 65.5754 GPRESSAVG: 4643400 -25.212 5.68769 -4.12411 7.02225 -8.7581 -29.9135 -6.34452 -25.8766 66.0435 TIMING: 4643400 CPU: 13785.8, 0.002932/step Wall: 13785.8, 0.002932/step, 0.290431 hours remaining, 207.636719 MB of memory in use. ENERGY: 4643400 770.0600 2068.8614 1924.7611 109.7277 -205963.3358 17536.7366 0.0000 0.0000 34267.0654 -149286.1237 299.2628 -183553.1891 -149185.9824 299.5070 -370.4044 -341.6772 557969.0006 10.7959 10.6911 PRESSURE: 4643600 135.261 -24.2096 10.822 -24.2097 11.0065 -56.7972 10.8226 -56.7969 -28.5609 GPRESSURE: 4643600 180.594 -4.70563 -45.5213 -111.883 48.3884 -24.6508 50.2115 -108.117 -15.6894 PRESSAVG: 4643600 16.5625 -48.2642 -40.3531 -48.2642 21.7083 16.2386 -40.3532 16.2388 -0.676688 GPRESSAVG: 4643600 16.8162 -48.838 -40.8778 -50.6282 21.7305 18.9639 -40.9912 13.5782 -0.934845 TIMING: 4643600 CPU: 13786.4, 0.00292059/step Wall: 13786.4, 0.00292059/step, 0.289139 hours remaining, 207.636719 MB of memory in use. ENERGY: 4643600 727.6614 2037.5162 1934.9734 100.8286 -206080.4567 17819.3059 0.0000 0.0000 34128.1583 -149332.0128 298.0497 -183460.1712 -149234.5809 298.0978 39.2356 71.0976 557255.6147 12.5314 12.5373 PRESSURE: 4643800 146.41 185.312 1.28056 185.312 168.224 -54.5016 1.27983 -54.5004 -101.256 GPRESSURE: 4643800 228.325 172.634 51.2717 165.145 132.898 -73.3346 -85.2346 13.8977 -47.729 PRESSAVG: 4643800 2.02413 41.4545 -52.4958 41.4543 -23.621 -40.72 -52.4958 -40.7201 -29.427 GPRESSAVG: 4643800 2.6817 42.0393 -53.401 42.7038 -23.9916 -42.0284 -49.118 -39.4016 -29.335 TIMING: 4643800 CPU: 13787, 0.00292857/step Wall: 13787, 0.00292857/step, 0.289766 hours remaining, 207.636719 MB of memory in use. ENERGY: 4643800 780.2931 2100.1393 1916.7964 109.7784 -206396.2625 17885.9430 0.0000 0.0000 34178.7701 -149424.5422 298.4917 -183603.3123 -149328.7316 298.7903 71.1259 104.4980 557236.1144 -17.0080 -16.8817 PRESSURE: 4644000 -25.5856 -103.303 -47.2451 -103.303 -25.8243 -108.235 -47.2461 -108.235 285.008 GPRESSURE: 4644000 18.9662 -152.912 -122.179 -53.2996 41.7809 -58.0779 18.0709 -180.919 288.105 PRESSAVG: 4644000 -17.6561 -9.73284 -41.0173 -9.73285 37.5791 -50.7764 -41.0174 -50.7764 -24.1094 GPRESSAVG: 4644000 -17.0384 -9.83473 -41.2909 -8.19003 38.3769 -49.0364 -40.6349 -53.3678 -25.4296 TIMING: 4644000 CPU: 13787.6, 0.00292568/step Wall: 13787.6, 0.00292568/step, 0.289318 hours remaining, 207.636719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4644000 780.0687 2025.7551 1919.9481 122.6846 -206477.8668 17973.1405 0.0000 0.0000 34386.1461 -149270.1236 300.3028 -183656.2697 -149170.7685 298.7301 77.8661 116.2839 557436.4421 -1.3955 -1.3637 PRESSURE: 4644200 173.154 -150.824 -329.199 -150.822 -173.391 53.9335 -329.199 53.9342 43.3181 GPRESSURE: 4644200 138.128 -100.942 -242.609 -175.079 -83.4062 112.996 -361.111 34.5412 82.7954 PRESSAVG: 4644200 12.6993 4.47609 -60.2944 4.47607 62.104 13.4377 -60.2944 13.4376 -24.8445 GPRESSAVG: 4644200 13.39 5.15869 -61.5921 1.87911 60.2607 12.0692 -60.8923 14.9347 -24.1716 TIMING: 4644200 CPU: 13788.2, 0.00294433/step Wall: 13788.2, 0.00294433/step, 0.290998 hours remaining, 207.636719 MB of memory in use. ENERGY: 4644200 753.1295 2038.8210 1903.1113 109.5192 -206141.6393 17880.4119 0.0000 0.0000 34268.2216 -149188.4247 299.2729 -183456.6463 -149088.1778 299.3112 14.3604 45.8391 557379.8874 16.6529 16.4930 LDB: ============= START OF LOAD BALANCING ============== 13791.7 LDB: ============== END OF LOAD BALANCING =============== 13791.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13791.7 LDB: ============= START OF LOAD BALANCING ============== 13792 LDB: Largest compute 4801 load 0.021438 is 18.1% of average load 0.118286 LDB: Average compute 0.001726 is 1.5% of average load 0.118286 LDB: TIME 13792 LOAD: AVG 0.118286 MAX 0.194945 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.953 MB LDB: TIME 13792 LOAD: AVG 0.118286 MAX 0.194945 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.016 MB LDB: TIME 13792 LOAD: AVG 0.118286 MAX 0.194945 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.016 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13792 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13792 PRESSURE: 4644400 -48.0864 -57.3049 -147.37 -57.3042 -177.253 52.4672 -147.371 52.4673 146.605 GPRESSURE: 4644400 -31.6046 -113.265 -71.871 -67.4745 -116.206 -21.9494 -124.869 63.588 166.33 PRESSAVG: 4644400 -6.21944 -16.7384 -58.3207 -16.7384 22.1086 1.26695 -58.3208 1.26696 -11.4799 GPRESSAVG: 4644400 -6.69638 -19.0177 -56.2509 -15.0231 23.2675 0.787258 -58.8214 1.79499 -11.3831 TIMING: 4644400 CPU: 13788.8, 0.0029954/step Wall: 13788.8, 0.0029954/step, 0.295879 hours remaining, 209.640625 MB of memory in use. ENERGY: 4644400 784.2987 2122.8636 1896.5194 111.4568 -206327.7855 17905.4609 0.0000 0.0000 34280.5452 -149226.6409 299.3805 -183507.1860 -149128.6270 299.7256 -26.2447 6.1731 556985.2926 1.4698 1.7294 PRESSURE: 4644600 31.9369 34.921 -81.977 34.9211 -4.58401 -87.6431 -81.977 -87.6443 223.583 GPRESSURE: 4644600 42.3281 61.8475 -25.1353 102.988 35.9629 -45.7617 -82.7266 -133.679 263.52 PRESSAVG: 4644600 -71.7779 -2.60052 -26.6922 -2.60047 -73.5052 -24.889 -26.6921 -24.889 89.9458 GPRESSAVG: 4644600 -71.3041 -2.91271 -28.174 -1.62511 -74.1199 -24.9332 -26.2654 -27.3331 90.2942 TIMING: 4644600 CPU: 13789.3, 0.00292989/step Wall: 13789.3, 0.00292989/step, 0.289245 hours remaining, 209.710938 MB of memory in use. ENERGY: 4644600 752.9985 2099.2197 1913.5666 103.0914 -206151.4173 17842.5117 0.0000 0.0000 34184.7060 -149255.3235 298.5435 -183440.0295 -149162.8133 299.3821 83.6452 113.9371 556432.1089 -18.4457 -18.3766 PRESSURE: 4644800 274.238 -61.8072 -50.163 -61.807 -73.7833 -94.2961 -50.162 -94.2959 168.883 GPRESSURE: 4644800 278.843 15.6447 -51.2971 17.9559 -16.9372 -106.573 -66.0525 -38.8588 199.556 PRESSAVG: 4644800 -21.9159 11.6111 -36.3325 11.6111 13.5617 -11.7558 -36.3326 -11.7557 50.0526 GPRESSAVG: 4644800 -22.7131 13.3387 -34.469 9.85671 14.412 -12.0951 -37.9328 -9.07776 49.6806 TIMING: 4644800 CPU: 13789.9, 0.00292388/step Wall: 13789.9, 0.00292388/step, 0.28849 hours remaining, 209.710938 MB of memory in use. ENERGY: 4644800 793.9448 2122.6920 1917.1079 119.8525 -206315.0866 17995.0093 0.0000 0.0000 34151.6884 -149214.7919 298.2552 -183366.4803 -149111.5326 298.6589 123.1124 153.8209 556371.7324 13.8995 13.7932 PRESSURE: 4645000 -135.635 152.93 104.197 152.93 -89.2573 -51.0273 104.196 -51.0257 109.323 GPRESSURE: 4645000 -80.0565 91.5975 81.1677 237.445 -51.6009 -135.857 131.532 29.0773 106.55 PRESSAVG: 4645000 -48.7265 -17.6456 -20.5668 -17.6458 33.7806 -40.7564 -20.5668 -40.7563 16.562 GPRESSAVG: 4645000 -47.4298 -19.9937 -20.9783 -15.9462 32.1315 -40.9095 -20.5553 -41.4147 16.6415 TIMING: 4645000 CPU: 13790.5, 0.00294448/step Wall: 13790.5, 0.00294448/step, 0.290358 hours remaining, 209.710938 MB of memory in use. ENERGY: 4645000 735.3502 2162.2091 1913.6844 114.0270 -205894.7395 17672.1887 0.0000 0.0000 34143.6695 -149153.6106 298.1852 -183297.2801 -149058.7897 299.7962 -38.5234 -8.3693 556608.9476 0.5387 0.4478 PRESSURE: 4645200 -121.277 -211.514 3.74614 -211.514 -227.541 36.996 3.74625 36.9949 -108.216 GPRESSURE: 4645200 -52.4303 -230.367 13.391 -148.468 -226.866 -83.1515 -35.3067 -65.9177 -81.9508 PRESSAVG: 4645200 21.4718 6.66369 47.6342 6.66377 -53.3115 14.6458 47.6342 14.6459 33.2311 GPRESSAVG: 4645200 20.6114 8.14976 47.1333 5.92191 -52.3457 16.3634 47.6449 12.9448 32.929 TIMING: 4645200 CPU: 13791.1, 0.00293505/step Wall: 13791.1, 0.00293505/step, 0.289265 hours remaining, 209.710938 MB of memory in use. ENERGY: 4645200 736.8414 2047.2664 1904.6174 117.8144 -205751.8602 17505.7748 0.0000 0.0000 34292.2814 -149147.2644 299.4830 -183439.5458 -149052.8631 299.2119 -152.3445 -120.4155 557804.6537 0.4638 0.3982 PRESSURE: 4645400 -390.287 -150.379 118.145 -150.38 37.1715 -174.26 118.146 -174.261 -26.0775 GPRESSURE: 4645400 -327.548 -151.802 96.1652 -68.5782 78.5833 -127.443 106.623 -141.969 -44.0273 PRESSAVG: 4645400 15.7846 27.3175 -15.6881 27.3175 16.8829 -34.1594 -15.6881 -34.1594 -35.4605 GPRESSAVG: 4645400 16.0842 27.3563 -14.8402 29.3699 17.1341 -33.9773 -14.6333 -31.0879 -36.7916 TIMING: 4645400 CPU: 13791.7, 0.00292981/step Wall: 13791.7, 0.00292981/step, 0.288587 hours remaining, 209.710938 MB of memory in use. ENERGY: 4645400 733.0757 2075.1764 1909.1129 129.6952 -205868.5415 17621.2878 0.0000 0.0000 34182.2023 -149217.9913 298.5217 -183400.1936 -149120.1696 299.5161 -126.3978 -97.6640 557516.2436 -0.9310 -1.1911 PRESSURE: 4645600 -288.471 -37.9738 -73.4171 -37.9731 -344.506 37.296 -73.4178 37.2964 -51.8968 GPRESSURE: 4645600 -241.432 13.7413 -112.76 -134.687 -300.52 -23.4717 -47.0122 13.7327 -40.8769 PRESSAVG: 4645600 -64.6836 -36.2873 -60.7183 -36.2872 21.5526 -18.2245 -60.7184 -18.2245 42.1283 GPRESSAVG: 4645600 -65.1205 -35.7478 -59.9592 -38.4686 21.1352 -19.4766 -62.3359 -19.4056 42.9989 TIMING: 4645600 CPU: 13792.3, 0.00290608/step Wall: 13792.3, 0.00290608/step, 0.286088 hours remaining, 209.710938 MB of memory in use. ENERGY: 4645600 765.9277 2132.9265 1908.8077 107.2341 -205885.5725 17454.3520 0.0000 0.0000 34020.8574 -149495.4672 297.1126 -183516.3246 -149399.7365 299.2221 -228.2911 -194.2766 558351.8659 -0.3342 -0.3288 PRESSURE: 4645800 -166.188 22.802 -78.844 22.8042 185.33 133.871 -78.8451 133.871 -80.9614 GPRESSURE: 4645800 -103.278 -49.1426 -51.344 70.0171 207.852 222.24 -26.1954 97.74 -68.1686 PRESSAVG: 4645800 -64.8576 4.8868 -42.9717 4.88682 49.9596 -17.7268 -42.9717 -17.7269 21.4265 GPRESSAVG: 4645800 -64.8388 3.8986 -43.2516 4.97687 49.9222 -16.7614 -42.2942 -17.3931 21.3118 TIMING: 4645800 CPU: 13792.9, 0.00289381/step Wall: 13792.9, 0.00289381/step, 0.284719 hours remaining, 209.710938 MB of memory in use. ENERGY: 4645800 764.1006 2088.6693 1948.4712 107.3240 -206232.6500 17789.8419 0.0000 0.0000 34049.2247 -149485.0184 297.3603 -183534.2431 -149394.3084 297.9335 -20.6066 12.1351 557989.5353 2.1762 2.1317 PRESSURE: 4646000 27.5052 -10.158 162.749 -10.1575 -24.6199 120.705 162.749 120.705 173.932 GPRESSURE: 4646000 102.118 -34.2713 45.9462 13.2223 -4.478 59.4226 160.235 169.973 173.219 PRESSAVG: 4646000 -21.9405 -28.1648 -26.4425 -28.1648 3.91026 9.94734 -26.4425 9.94741 24.1122 GPRESSAVG: 4646000 -23.773 -28.3726 -27.6342 -26.8109 4.27749 10.6147 -24.0496 9.41908 25.4117 TIMING: 4646000 CPU: 13793.4, 0.00292284/step Wall: 13793.4, 0.00292284/step, 0.287412 hours remaining, 209.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4646000 763.0269 2094.7940 1928.8482 105.7741 -206350.5158 17960.1063 0.0000 0.0000 34158.7899 -149339.1764 298.3172 -183497.9663 -149247.3563 298.5142 58.9390 90.2863 557106.9000 2.0273 1.9721 PRESSURE: 4646200 -226.325 21.9056 188.29 21.9049 -321.836 -273.831 188.29 -273.83 41.4322 GPRESSURE: 4646200 -201.1 -3.08157 191.446 7.71647 -261.738 -326.474 189.862 -165.231 57.4599 PRESSAVG: 4646200 -42.1772 -8.77568 54.2739 -8.77567 -14.9288 13.7296 54.2739 13.7296 24.1479 GPRESSAVG: 4646200 -40.4772 -8.25458 54.6513 -9.54255 -15.2974 12.2362 51.6577 13.6921 22.6113 TIMING: 4646200 CPU: 13794, 0.00294113/step Wall: 13794, 0.00294113/step, 0.289047 hours remaining, 209.710938 MB of memory in use. ENERGY: 4646200 743.6971 2151.5275 1926.5648 104.9414 -205691.4879 17429.8501 0.0000 0.0000 34102.4113 -149232.4957 297.8248 -183334.9070 -149132.7790 298.5644 -168.9097 -135.1261 557546.2069 -10.9861 -11.0544 PRESSURE: 4646400 -8.25812 83.3815 46.971 83.3814 -288.773 -42.5218 46.971 -42.5217 -117.735 GPRESSURE: 4646400 4.22159 32.8329 53.4431 104.112 -219.172 27.36 49.1663 3.21493 -105.129 PRESSAVG: 4646400 35.7735 -12.3555 37.2324 -12.3555 -14.6948 -5.00707 37.2325 -5.00706 7.14981 GPRESSAVG: 4646400 35.6158 -13.0964 34.8782 -12.6467 -15.0765 -4.07207 38.1916 -4.65471 8.10396 TIMING: 4646400 CPU: 13794.6, 0.00297134/step Wall: 13794.6, 0.00297133/step, 0.291851 hours remaining, 209.710938 MB of memory in use. ENERGY: 4646400 741.8343 2074.7131 1923.5723 117.9342 -205637.4763 17307.7858 0.0000 0.0000 34294.1818 -149177.4548 299.4996 -183471.6366 -149081.5791 299.1023 -138.2554 -106.6932 556044.7158 9.4095 9.5478 PRESSURE: 4646600 -203.271 167.001 -149.911 167.002 -219.089 -32.817 -149.911 -32.8172 -79.5174 GPRESSURE: 4646600 -164.549 188.686 -185.91 100.347 -176.789 -144.146 -62.7751 39.9966 -48.7092 PRESSAVG: 4646600 39.7806 41.9899 -15.6214 41.99 -85.1407 1.31637 -15.6213 1.31642 13.1268 GPRESSAVG: 4646600 38.3385 43.513 -10.7758 41.2823 -84.2932 -0.66148 -16.9806 1.41727 14.0458 TIMING: 4646600 CPU: 13795.2, 0.00296936/step Wall: 13795.2, 0.00296936/step, 0.291493 hours remaining, 209.710938 MB of memory in use. ENERGY: 4646600 728.8830 2087.6365 1934.3665 119.2621 -205884.3230 17603.7611 0.0000 0.0000 34361.4184 -149048.9955 300.0868 -183410.4139 -148953.2474 299.4230 -167.2924 -130.0159 556316.4405 -10.7444 -10.6363 PRESSURE: 4646800 44.6464 -74.9564 -6.26917 -74.9561 263.605 -51.3348 -6.26917 -51.335 228.342 GPRESSURE: 4646800 129.654 -74.1375 -84.8401 -112.977 251.015 -48.0071 -5.49908 -71.7948 245.455 PRESSAVG: 4646800 14.3678 44.2514 31.6997 44.2513 -27.8115 10.2157 31.6996 10.2158 67.7741 GPRESSAVG: 4646800 16.2456 44.8933 29.975 43.6213 -28.7331 11.7909 33.0089 9.19954 66.5519 TIMING: 4646800 CPU: 13795.8, 0.0029423/step Wall: 13795.8, 0.0029423/step, 0.288672 hours remaining, 209.710938 MB of memory in use. ENERGY: 4646800 738.1248 2105.8672 1935.2655 107.5805 -206208.0370 18081.3185 0.0000 0.0000 34270.2165 -148969.6640 299.2903 -183239.8805 -148876.3397 299.9457 178.8645 208.7079 558165.1157 18.1102 18.0215 PRESSURE: 4647000 37.4099 26.2195 -30.4804 26.2209 -14.2562 -154.843 -30.48 -154.844 -82.1167 GPRESSURE: 4647000 98.4371 -82.7075 -121.729 137.95 12.8313 -160.047 -10.4358 -80.1463 -80.1927 PRESSAVG: 4647000 -52.269 33.3716 32.3813 33.3717 17.6934 -39.1731 32.3814 -39.1731 1.64728 GPRESSAVG: 4647000 -52.5347 32.5313 31.2793 32.9597 16.7607 -39.0621 32.4039 -37.7018 2.03343 TIMING: 4647000 CPU: 13796.4, 0.0029432/step Wall: 13796.4, 0.0029432/step, 0.288597 hours remaining, 209.710938 MB of memory in use. ENERGY: 4647000 714.8543 2143.3859 1890.8090 111.1443 -206008.2781 17725.5952 0.0000 0.0000 34259.6688 -149162.8207 299.1982 -183422.4895 -149064.3834 299.4987 -19.6543 10.3586 557924.9249 -10.9761 -11.2469 PRESSURE: 4647200 -95.4567 167.686 41.7744 167.685 -293.477 -49.8827 41.7743 -49.8809 -299.647 GPRESSURE: 4647200 -69.3914 113.702 -53.9346 103.42 -253.697 -44.7189 148.528 -27.943 -275.102 PRESSAVG: 4647200 -27.3977 53.0872 42.4598 53.0873 -6.72413 -37.3022 42.4598 -37.3023 9.72828 GPRESSAVG: 4647200 -27.6163 50.631 45.6513 53.5508 -6.05274 -36.3944 39.7038 -38.4204 8.88743 TIMING: 4647200 CPU: 13797, 0.00292625/step Wall: 13797, 0.00292625/step, 0.286773 hours remaining, 209.710938 MB of memory in use. ENERGY: 4647200 748.0265 2137.9261 1899.5838 96.8382 -205754.0617 17447.4494 0.0000 0.0000 34252.3492 -149171.8885 299.1343 -183424.2378 -149075.2652 298.9856 -229.5267 -199.3967 560159.4737 -8.1312 -8.2605 PRESSURE: 4647400 -66.5993 -216.266 78.1551 -216.266 -311.994 266.44 78.1548 266.439 -234.279 GPRESSURE: 4647400 -62.3333 -294.491 61.9455 -207.04 -267.933 249.041 46.3999 248.434 -191.501 PRESSAVG: 4647400 38.1345 13.9942 19.2725 13.9942 8.08606 -26.2881 19.2725 -26.2881 -47.2898 GPRESSAVG: 4647400 37.7291 16.671 17.6799 14.0404 8.01169 -26.0569 23.1719 -25.5642 -47.2254 TIMING: 4647400 CPU: 13797.6, 0.00291606/step Wall: 13797.6, 0.00291606/step, 0.285612 hours remaining, 209.710938 MB of memory in use. ENERGY: 4647400 755.2634 2109.0990 1909.3320 123.1493 -205922.8047 17582.4427 0.0000 0.0000 34159.1724 -149284.3459 298.3205 -183443.5183 -149192.5899 299.1315 -204.2908 -173.9222 558534.7915 -0.3564 -0.4949 PRESSURE: 4647600 -42.3115 86.3944 -159.766 86.3954 -5.8905 35.4911 -159.766 35.4912 -298.166 GPRESSURE: 4647600 8.03546 106.587 -173.053 94.5744 15.8703 64.9519 -122.101 -17.9394 -267.769 PRESSAVG: 4647600 28.2959 -70.2398 12.6802 -70.2398 31.4283 29.2518 12.6802 29.2519 -54.8192 GPRESSAVG: 4647600 28.56 -68.6279 12.4491 -73.1912 31.5477 27.3123 12.6469 27.9412 -54.7768 TIMING: 4647600 CPU: 13798.1, 0.00291644/step Wall: 13798.1, 0.00291644/step, 0.285487 hours remaining, 209.710938 MB of memory in use. ENERGY: 4647600 754.5447 2023.1308 1917.1216 115.6263 -205861.8173 17684.1595 0.0000 0.0000 34119.4853 -149247.7491 297.9740 -183367.2344 -149146.0582 298.8221 -115.4561 -81.2877 558447.9850 1.6350 1.7769 PRESSURE: 4647800 -81.8421 112.184 -69.0894 112.185 112.848 136.296 -69.0893 136.297 -222.297 GPRESSURE: 4647800 -49.383 151.989 -40.5318 53.3391 173.027 10.06 -71.1754 223.532 -210.642 PRESSAVG: 4647800 42.8416 53.2248 -3.82703 53.2249 -4.36746 56.092 -3.82704 56.0919 8.20144 GPRESSAVG: 4647800 43.4421 52.951 -4.04153 56.2864 -4.29628 55.8718 -4.03633 56.162 7.30388 TIMING: 4647800 CPU: 13798.7, 0.00290492/step Wall: 13798.7, 0.00290492/step, 0.284198 hours remaining, 209.710938 MB of memory in use. ENERGY: 4647800 737.3814 2098.5940 1926.4510 101.7113 -206001.2025 17664.6834 0.0000 0.0000 34266.6906 -149205.6907 299.2595 -183472.3813 -149112.7818 299.1436 -63.7637 -28.9996 556710.3187 15.5585 15.4832 PRESSURE: 4648000 -104.527 142.033 9.38671 142.034 128.066 242.587 9.3885 242.588 -212.993 GPRESSURE: 4648000 -93.4208 69.1355 17.4533 104.707 133.404 235.943 -4.95404 195.187 -139.13 PRESSAVG: 4648000 3.16587 38.7826 19.7168 38.7826 83.2806 45.0129 19.7167 45.0129 -100.578 GPRESSAVG: 4648000 1.55742 38.009 20.8546 37.9795 82.5717 46.5605 17.359 46.503 -98.2725 TIMING: 4648000 CPU: 13799.3, 0.0029118/step Wall: 13799.3, 0.0029118/step, 0.284709 hours remaining, 209.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4648000 697.9024 2122.5679 1917.3082 119.1156 -206369.9209 17786.5255 0.0000 0.0000 34408.5611 -149317.9402 300.4985 -183726.5013 -149222.6393 298.6986 -63.1514 -33.0487 557172.6266 -4.7104 -4.7145 PRESSURE: 4648200 -137.316 -49.1275 -52.881 -49.1271 -7.07191 -129.551 -52.8816 -129.552 -83.3541 GPRESSURE: 4648200 -46.1423 -53.4937 -50.4105 -60.6889 10.326 -94.0464 -25.4358 -250.18 -92.55 PRESSAVG: 4648200 -5.46179 6.39116 -39.8929 6.39114 71.7354 16.4402 -39.893 16.4403 -78.9766 GPRESSAVG: 4648200 -4.42259 4.50105 -40.8551 7.26615 72.3816 16.9797 -38.3851 14.6485 -80.9534 TIMING: 4648200 CPU: 13799.9, 0.00290853/step Wall: 13799.9, 0.00290853/step, 0.284228 hours remaining, 209.710938 MB of memory in use. ENERGY: 4648200 754.0233 2079.6332 1926.8430 126.1991 -206347.5614 17757.2444 0.0000 0.0000 34376.6165 -149327.0020 300.2195 -183703.6184 -149228.7387 299.6925 -75.9140 -42.7888 557074.3751 -4.2343 -4.3315 LDB: ============= START OF LOAD BALANCING ============== 13803.4 LDB: ============== END OF LOAD BALANCING =============== 13803.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13803.4 LDB: ============= START OF LOAD BALANCING ============== 13803.7 LDB: Largest compute 4801 load 0.021444 is 18.1% of average load 0.118260 LDB: Average compute 0.001732 is 1.5% of average load 0.118260 LDB: TIME 13803.7 LOAD: AVG 0.11826 MAX 0.197329 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.641 MB LDB: TIME 13803.7 LOAD: AVG 0.11826 MAX 0.197329 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.648 MB LDB: TIME 13803.7 LOAD: AVG 0.11826 MAX 0.197329 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.648 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13803.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13803.7 PRESSURE: 4648400 -367.836 -122.555 -67.3634 -122.556 86.5033 23.5334 -67.3626 23.5356 69.7364 GPRESSURE: 4648400 -265.598 -179.371 -53.1797 -155.041 72.8515 110.747 -24.625 -27.4316 76.9767 PRESSAVG: 4648400 -18.6265 -38.0215 -41.7403 -38.0215 48.7386 -44.2053 -41.7403 -44.2053 -56.1424 GPRESSAVG: 4648400 -18.3413 -37.6344 -42.6234 -39.7526 48.249 -45.4328 -43.2696 -43.4179 -55.8765 TIMING: 4648400 CPU: 13800.5, 0.00298437/step Wall: 13800.5, 0.00298437/step, 0.291473 hours remaining, 208.808594 MB of memory in use. ENERGY: 4648400 799.4504 2100.6621 1951.9678 118.7280 -206135.8528 17787.5826 0.0000 0.0000 33942.7882 -149434.6737 296.4308 -183377.4619 -149338.6249 299.4336 -70.5319 -38.5900 557927.1029 -8.6768 -8.6563 PRESSURE: 4648600 103.044 200.249 -72.7033 200.249 176.46 -65.5308 -72.7043 -65.5306 192.043 GPRESSURE: 4648600 135.223 164.677 -171.161 197.91 188.256 -68.3182 -32.9448 -25.0088 230.168 PRESSAVG: 4648600 -48.3853 -8.84336 7.3011 -8.84328 65.4409 -25.3324 7.30123 -25.3324 -24.9849 GPRESSAVG: 4648600 -48.5529 -8.2316 8.00745 -8.06394 65.5703 -26.8609 7.71493 -23.5122 -25.304 TIMING: 4648600 CPU: 13801.1, 0.0029248/step Wall: 13801.1, 0.0029248/step, 0.285493 hours remaining, 208.878906 MB of memory in use. ENERGY: 4648600 747.7074 2108.5495 1921.7752 120.1395 -206463.2954 17972.8583 0.0000 0.0000 34177.7888 -149414.4766 298.4831 -183592.2654 -149321.5127 298.6808 157.1823 184.5492 556093.9533 -2.6431 -2.7622 PRESSURE: 4648800 80.8495 37.8975 121.611 37.8977 222.011 88.8463 121.611 88.8483 254.667 GPRESSURE: 4648800 118.4 37.3439 188.532 -1.34298 241.777 39.6098 65.087 93.0482 285.839 PRESSAVG: 4648800 -63.9394 -26.9886 -43.4773 -26.9887 50.3821 -8.68539 -43.4774 -8.68528 37.0519 GPRESSAVG: 4648800 -63.6572 -26.1111 -42.2858 -27.5363 50.3254 -8.24541 -43.6971 -8.54998 36.5213 TIMING: 4648800 CPU: 13801.7, 0.00293655/step Wall: 13801.7, 0.00293655/step, 0.286477 hours remaining, 208.878906 MB of memory in use. ENERGY: 4648800 765.1276 2111.5200 1916.3860 109.9471 -206571.9738 18046.6208 0.0000 0.0000 34065.4844 -149556.8878 297.5023 -183622.3722 -149468.0907 298.9561 185.8423 215.3389 555720.0871 7.8315 7.7298 PRESSURE: 4649000 77.9579 -108.789 -97.3144 -108.79 86.0886 -94.1387 -97.3147 -94.1387 -97.0948 GPRESSURE: 4649000 123.042 -176.527 -39.5984 -99.5627 64.3263 -96.375 -102.09 -36.7748 -13.4981 PRESSAVG: 4649000 -56.509 16.3795 -2.4402 16.3794 32.6219 10.8983 -2.44033 10.8984 9.131 GPRESSAVG: 4649000 -57.79 15.0865 -3.06535 17.9031 33.2177 10.8266 -2.40923 10.746 10.2572 TIMING: 4649000 CPU: 13802.2, 0.00293282/step Wall: 13802.2, 0.00293282/step, 0.28595 hours remaining, 208.878906 MB of memory in use. ENERGY: 4649000 741.5242 2070.4321 1927.1377 112.7897 -206502.3328 17773.4328 0.0000 0.0000 34178.2652 -149698.7512 298.4873 -183877.0163 -149609.5269 297.8380 22.3172 57.9567 556259.8989 -4.9187 -4.7717 PRESSURE: 4649200 -307.703 -17.7778 -187.836 -17.7785 -200.401 1.08392 -187.837 1.0838 -97.8748 GPRESSURE: 4649200 -320.729 -83.1375 -153.868 -18.6397 -145.777 25.2271 -183.744 -78.8732 -52.266 PRESSAVG: 4649200 -49.331 0.0568856 -47.0145 0.0568142 53.0177 4.94276 -47.0145 4.94282 9.85855 GPRESSAVG: 4649200 -48.9788 -0.525137 -47.7519 1.26714 54.4306 4.13694 -47.2393 3.67569 7.92925 TIMING: 4649200 CPU: 13802.8, 0.00293499/step Wall: 13802.8, 0.00293499/step, 0.285999 hours remaining, 208.878906 MB of memory in use. ENERGY: 4649200 748.8595 2152.4042 1910.4056 111.1456 -206056.9043 17533.5924 0.0000 0.0000 34038.5896 -149561.9073 297.2675 -183600.4969 -149464.2570 298.4344 -201.9932 -172.9240 557288.7403 4.5151 4.4604 PRESSURE: 4649400 -111.739 -106.658 91.313 -106.657 43.2633 99.6367 91.3137 99.6347 6.64088 GPRESSURE: 4649400 -121.813 39.5768 56.4534 -120.802 78.2826 69.5142 82.4495 80.7776 65.1712 PRESSAVG: 4649400 -57.6208 46.1205 -21.1319 46.1205 62.7232 -12.3644 -21.1319 -12.3644 -11.0951 GPRESSAVG: 4649400 -57.2961 47.3482 -21.8304 44.1773 61.3704 -13.6475 -21.2892 -12.8486 -10.3156 TIMING: 4649400 CPU: 13803.4, 0.00293379/step Wall: 13803.4, 0.00293379/step, 0.285718 hours remaining, 208.878906 MB of memory in use. ENERGY: 4649400 747.5396 2065.0135 1937.0908 115.0837 -206475.5223 17946.8696 0.0000 0.0000 34202.4569 -149461.4682 298.6986 -183663.9251 -149369.1970 298.0425 -20.6116 7.2137 558730.2635 -1.9976 -2.0804 PRESSURE: 4649600 7.05186 -20.4625 139.023 -20.4621 -212.821 57.2045 139.022 57.2039 149.063 GPRESSURE: 4649600 19.1548 -21.7988 159.904 -22.9499 -155.609 83.8438 72.3138 49.2642 188.125 PRESSAVG: 4649600 -78.9989 26.9254 30.8611 26.9255 49.4155 8.92034 30.8611 8.92041 20.0251 GPRESSAVG: 4649600 -80.7724 27.6048 32.0216 27.2059 50.0393 10.8773 31.4263 10.5848 20.974 TIMING: 4649600 CPU: 13804, 0.00292921/step Wall: 13804, 0.00292921/step, 0.28511 hours remaining, 208.878906 MB of memory in use. ENERGY: 4649600 729.3986 2120.5640 1922.5412 127.0596 -206366.7380 17821.0187 0.0000 0.0000 34385.1213 -149261.0347 300.2938 -183646.1560 -149165.2078 299.5993 -18.9021 17.2237 556731.3475 -3.1861 -3.2531 PRESSURE: 4649800 -138.417 71.8286 -5.15207 71.8294 -23.8735 63.2333 -5.15147 63.2324 -43.7112 GPRESSURE: 4649800 -101.801 33.9987 -64.2114 78.4781 -51.8474 27.7291 39.5936 158.159 53.7815 PRESSAVG: 4649800 11.7871 16.648 46.6185 16.6479 26.6657 -7.05736 46.6185 -7.0574 -6.33089 GPRESSAVG: 4649800 13.2964 14.5799 44.8697 16.3803 25.2372 -8.06898 47.256 -7.58183 -6.66882 TIMING: 4649800 CPU: 13804.6, 0.00293859/step Wall: 13804.6, 0.00293859/step, 0.285859 hours remaining, 208.878906 MB of memory in use. ENERGY: 4649800 731.7152 2173.4608 1892.5867 113.9431 -206268.3697 17743.9973 0.0000 0.0000 34186.3172 -149426.3494 298.5576 -183612.6666 -149330.3586 299.6019 -68.6672 -33.2890 555998.4175 10.7073 10.6216 PRESSURE: 4650000 -122.277 -4.97769 95.586 -4.97597 -189.325 27.8445 95.5848 27.8443 53.3387 GPRESSURE: 4650000 -41.1304 -7.55737 79.915 11.4657 -141.34 104.777 95.9638 -97.772 14.2166 PRESSAVG: 4650000 -8.27729 22.4096 -0.861433 22.4095 12.4699 0.819894 -0.86139 0.819839 6.42683 GPRESSAVG: 4650000 -8.72665 25.6628 0.458049 21.0054 13.0177 2.88679 -1.18538 -1.24604 5.84134 TIMING: 4650000 CPU: 13805.2, 0.00293255/step Wall: 13805.2, 0.00293255/step, 0.285109 hours remaining, 208.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4650000 719.6740 2163.4436 1922.5169 105.4853 -205801.0374 17438.7762 0.0000 0.0000 34134.0382 -149317.1033 298.1010 -183451.1414 -149222.6553 299.0281 -86.0877 -56.0846 557205.2096 3.5398 3.3775 PRESSURE: 4650200 87.7392 -26.8555 -47.6757 -26.8549 13.8154 52.9819 -47.6768 52.9812 233.801 GPRESSURE: 4650200 82.0274 -73.9635 -134.95 36.8682 112.644 19.091 6.66268 76.8186 222.842 PRESSAVG: 4650200 4.59411 14.1608 -24.2031 14.1607 -17.5911 -52.1345 -24.2031 -52.1346 34.0998 GPRESSAVG: 4650200 4.43866 11.087 -21.9383 17.8207 -18.2852 -53.3884 -24.3 -50.2478 34.5973 TIMING: 4650200 CPU: 13805.8, 0.00292743/step Wall: 13805.8, 0.00292743/step, 0.284448 hours remaining, 208.878906 MB of memory in use. ENERGY: 4650200 761.3478 2109.4636 1931.9557 125.3716 -206517.2672 18067.5078 0.0000 0.0000 33992.9805 -149528.6401 296.8692 -183521.6206 -149435.2816 298.3537 111.7853 139.1712 556986.1087 7.0343 6.9169 PRESSURE: 4650400 -259.932 229.787 5.93494 229.787 -19.0365 32.1656 5.93359 32.1654 -35.6146 GPRESSURE: 4650400 -237.678 194.413 54.2181 163.159 43.1865 65.8422 -89.1413 -31.2112 -27.2976 PRESSAVG: 4650400 32.5666 33.4595 71.1791 33.4596 -39.4894 -23.024 71.1791 -23.0239 46.5084 GPRESSAVG: 4650400 33.4166 33.7118 68.8411 32.1494 -39.8519 -24.4768 71.2001 -22.6813 45.5362 TIMING: 4650400 CPU: 13806.3, 0.00290761/step Wall: 13806.3, 0.00290761/step, 0.282361 hours remaining, 208.878906 MB of memory in use. ENERGY: 4650400 738.0277 2095.2683 1932.4441 110.4260 -206203.6725 17736.5615 0.0000 0.0000 34023.9946 -149566.9502 297.1400 -183590.9448 -149470.0559 298.0579 -104.8612 -73.9297 557850.3211 13.1952 13.0336 PRESSURE: 4650600 71.8001 -36.7991 -76.6875 -36.7988 -51.2938 -15.6587 -76.6871 -15.6578 51.6764 GPRESSURE: 4650600 107.485 -23.7364 -37.4708 -109.009 -31.5734 -65.7254 -65.0005 -42.8533 92.4123 PRESSAVG: 4650600 -11.1913 36.1303 40.872 36.1303 -21.6284 3.98275 40.8719 3.98286 -17.3343 GPRESSAVG: 4650600 -12.7665 37.8421 42.3189 35.0122 -20.8684 6.23759 40.4927 2.76421 -16.564 TIMING: 4650600 CPU: 13806.9, 0.00290427/step Wall: 13806.9, 0.00290427/step, 0.281876 hours remaining, 208.878906 MB of memory in use. ENERGY: 4650600 774.4544 2076.3183 1928.9440 118.4724 -206418.7181 17914.9903 0.0000 0.0000 34189.8707 -149415.6679 298.5886 -183605.5386 -149320.9960 298.1520 24.0609 56.1078 556975.6172 -16.7180 -16.7330 PRESSURE: 4650800 -188.019 113.387 28.4751 113.386 -97.4255 29.695 28.475 29.696 -2.4316 GPRESSURE: 4650800 -129.546 65.7716 9.54099 167.022 -107.251 74.0442 34.9426 67.5228 41.1824 PRESSAVG: 4650800 -58.1167 12.9297 -48.6415 12.9296 59.6232 -64.0279 -48.6415 -64.028 -13.9243 GPRESSAVG: 4650800 -58.922 12.6672 -49.5196 15.3037 58.9107 -64.9076 -48.5133 -61.5143 -12.6279 TIMING: 4650800 CPU: 13807.5, 0.0029176/step Wall: 13807.5, 0.0029176/step, 0.283007 hours remaining, 208.878906 MB of memory in use. ENERGY: 4650800 695.3010 2189.5846 1935.4519 108.4970 -206407.4357 17762.2770 0.0000 0.0000 34392.7493 -149323.5749 300.3604 -183716.3242 -149226.6861 298.8452 -95.9588 -65.2050 557310.0268 -4.1392 -4.2131 PRESSURE: 4651000 90.9226 -190.358 -57.4061 -190.358 203.781 -50.0497 -57.4079 -50.0489 -191.595 GPRESSURE: 4651000 114.502 -101.372 -124.562 -250.793 222.779 -44.9446 -66.2064 -22.8045 -152.676 PRESSAVG: 4651000 -29.2803 -7.04795 -14.7205 -7.04797 50.2124 17.2129 -14.7206 17.213 -1.05419 GPRESSAVG: 4651000 -29.6526 -5.26705 -13.4651 -8.78302 51.3818 15.983 -15.7837 15.2264 -2.6763 TIMING: 4651000 CPU: 13808.1, 0.00292973/step Wall: 13808.1, 0.00292973/step, 0.284021 hours remaining, 208.878906 MB of memory in use. ENERGY: 4651000 749.3049 2067.8785 1929.1740 110.8551 -206611.3057 17884.9991 0.0000 0.0000 34454.5595 -149414.5346 300.9002 -183869.0941 -149315.8361 298.9695 34.3695 61.5350 556865.2066 6.6260 6.3510 PRESSURE: 4651200 -541.464 110.205 -31.6268 110.205 -281.178 14.2849 -31.6278 14.2843 -225.9 GPRESSURE: 4651200 -426.08 35.7092 -29.3385 108.592 -240.977 105.075 -6.30355 -122.094 -269.912 PRESSAVG: 4651200 7.66759 26.6022 10.427 26.6022 4.24384 -0.764772 10.427 -0.764703 -29.242 GPRESSAVG: 4651200 9.10988 25.046 10.7894 24.6072 4.3399 -2.04634 11.4294 -0.417779 -30.1606 TIMING: 4651200 CPU: 13808.7, 0.00294816/step Wall: 13808.7, 0.00294816/step, 0.285644 hours remaining, 209.003906 MB of memory in use. ENERGY: 4651200 730.2541 2058.3935 1940.1671 129.6495 -205728.1888 17488.8592 0.0000 0.0000 34098.6902 -149282.1751 297.7923 -183380.8653 -149191.9113 298.8012 -349.5141 -312.3232 559139.9763 -5.7768 -5.5703 PRESSURE: 4651400 50.339 132.079 258.766 132.08 -35.2736 53.3684 258.768 53.3685 -306.762 GPRESSURE: 4651400 70.7339 185.35 228.757 110.725 -60.1822 59.3388 219.594 14.6832 -203.044 PRESSAVG: 4651400 61.7666 61.756 12.6256 61.7561 -10.1659 22.2371 12.6256 22.237 -16.231 GPRESSAVG: 4651400 60.866 62.2963 10.5448 61.6951 -9.89758 24.7682 12.9815 20.6612 -15.4887 TIMING: 4651400 CPU: 13809.3, 0.0029646/step Wall: 13809.3, 0.0029646/step, 0.287072 hours remaining, 209.003906 MB of memory in use. ENERGY: 4651400 742.3923 2064.0500 1902.2863 102.4397 -205979.2299 17639.6122 0.0000 0.0000 34304.3853 -149224.0642 299.5887 -183528.4495 -149126.1681 298.7312 -97.2323 -64.1641 557515.2692 11.7899 11.8266 PRESSURE: 4651600 -179.812 1.67209 -69.3839 1.67396 22.8519 25.2108 -69.384 25.2114 -114.495 GPRESSURE: 4651600 -141.235 -46.0683 -25.9199 82.0124 -12.0951 83.0184 -120.108 44.1499 -25.7953 PRESSAVG: 4651600 -4.42622 16.9795 22.9573 16.9794 -10.7501 2.50007 22.9574 2.50009 -28.0532 GPRESSAVG: 4651600 -3.89936 14.178 21.4589 20.1371 -10.4831 3.05889 22.6511 2.73583 -28.2436 TIMING: 4651600 CPU: 13809.9, 0.00295989/step Wall: 13809.9, 0.00295989/step, 0.286452 hours remaining, 209.003906 MB of memory in use. ENERGY: 4651600 714.3209 2078.3094 1913.8492 108.2771 -205965.9251 17525.6174 0.0000 0.0000 34358.1648 -149267.3863 300.0584 -183625.5511 -149171.8939 299.4083 -90.4848 -59.7084 558751.1838 -14.4098 -14.2087 PRESSURE: 4651800 261.358 138.225 -108.423 138.226 -215.431 -6.70735 -108.425 -6.70801 93.5184 GPRESSURE: 4651800 246.194 183.934 -48.9198 17.0535 -162.897 -9.91675 -82.006 13.6094 158.198 PRESSAVG: 4651800 -15.2129 39.6794 -12.3427 39.6793 6.16762 -14.315 -12.3428 -14.315 -1.72483 GPRESSAVG: 4651800 -13.7561 40.4038 -12.0367 40.8976 5.6719 -17.2431 -11.7611 -13.4888 -2.16926 TIMING: 4651800 CPU: 13810.5, 0.00294805/step Wall: 13810.5, 0.00294805/step, 0.285142 hours remaining, 209.003906 MB of memory in use. ENERGY: 4651800 706.6782 2098.0259 1903.9168 115.5589 -206065.9545 17820.6632 0.0000 0.0000 34006.6410 -149414.4705 296.9885 -183421.1115 -149321.2045 299.1590 46.4817 80.4984 557844.0698 -3.5901 -3.4178 PRESSURE: 4652000 -129.513 -172.848 124.318 -172.849 -16.896 -80.1683 124.319 -80.1699 -0.33926 GPRESSURE: 4652000 -56.4449 -215.489 182.504 -70.7242 -24.5962 -172.924 32.7826 -74.004 25.0608 PRESSAVG: 4652000 9.82307 -65.8799 55.6087 -65.88 12.4725 -60.6175 55.6087 -60.6174 -5.69447 GPRESSAVG: 4652000 8.6472 -64.0691 56.8378 -68.2387 14.3326 -59.0971 53.6185 -59.6945 -7.09205 TIMING: 4652000 CPU: 13811.1, 0.00295874/step Wall: 13811.1, 0.00295874/step, 0.286011 hours remaining, 209.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4652000 745.3661 2038.2283 1938.5492 112.8866 -205976.4424 17560.1219 0.0000 0.0000 34195.7610 -149385.5292 298.6401 -183581.2902 -149286.0265 298.5109 -48.9162 -18.6601 556689.7515 5.5337 5.2959 PRESSURE: 4652200 -229.563 88.7363 -32.8049 88.7373 -470.519 -61.4687 -32.8047 -61.4659 182.849 GPRESSURE: 4652200 -186.281 23.9592 37.1582 86.9324 -433.295 -24.37 -51.7316 -94.9943 191.505 PRESSAVG: 4652200 -65.58 -26.9694 2.54232 -26.9694 44.9618 -46.4173 2.54233 -46.4172 50.7042 GPRESSAVG: 4652200 -65.3292 -26.5226 3.05204 -28.8865 43.5644 -46.0862 4.00911 -48.5092 52.0281 TIMING: 4652200 CPU: 13811.6, 0.00294173/step Wall: 13811.6, 0.00294173/step, 0.284204 hours remaining, 209.003906 MB of memory in use. ENERGY: 4652200 742.8374 2116.9527 1916.7980 118.5478 -206166.0203 17598.9995 0.0000 0.0000 34337.1793 -149334.7056 299.8751 -183671.8849 -149236.2774 298.5275 -172.4109 -142.6901 556467.5067 10.0287 10.0878 LDB: ============= START OF LOAD BALANCING ============== 13815.2 LDB: ============== END OF LOAD BALANCING =============== 13815.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13815.2 LDB: ============= START OF LOAD BALANCING ============== 13815.5 LDB: Largest compute 4801 load 0.020662 is 17.5% of average load 0.118274 LDB: Average compute 0.001735 is 1.5% of average load 0.118274 LDB: TIME 13815.5 LOAD: AVG 0.118274 MAX 0.195576 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.551 MB LDB: TIME 13815.5 LOAD: AVG 0.118274 MAX 0.195576 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.555 MB LDB: TIME 13815.5 LOAD: AVG 0.118274 MAX 0.195576 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13815.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13815.5 PRESSURE: 4652400 235.561 -187.87 -5.5348 -187.869 64.3514 120.218 -5.53439 120.218 103.978 GPRESSURE: 4652400 252.378 -161.339 -1.91862 -256.004 101.123 125.685 -69.6724 97.8038 146.553 PRESSAVG: 4652400 -47.4368 -106.594 60.1391 -106.594 46.3267 40.1784 60.139 40.1783 17.4257 GPRESSAVG: 4652400 -48.0319 -107.731 57.5879 -105.034 46.5608 39.2739 59.6831 40.7654 18.0758 TIMING: 4652400 CPU: 13812.2, 0.00299242/step Wall: 13812.2, 0.00299242/step, 0.288935 hours remaining, 209.832031 MB of memory in use. ENERGY: 4652400 781.7619 2031.6162 1931.2612 114.8300 -206621.3251 18090.7548 0.0000 0.0000 34206.9803 -149464.1205 298.7381 -183671.1008 -149370.2138 298.5396 134.6301 166.6845 556240.1339 5.4385 5.5349 PRESSURE: 4652600 -176.485 -28.667 -29.1338 -28.6669 66.3454 37.1341 -29.1344 37.1336 173.722 GPRESSURE: 4652600 -90.6584 -72.1347 -57.6632 22.3167 33.2066 -22.2712 -8.1974 73.8227 215.238 PRESSAVG: 4652600 -6.11346 -45.4976 3.37531 -45.4976 -33.233 1.00599 3.3754 1.006 12.1368 GPRESSAVG: 4652600 -5.4099 -43.989 3.68623 -46.6972 -33.304 0.729385 3.3143 1.57853 11.7919 TIMING: 4652600 CPU: 13812.8, 0.0029399/step Wall: 13812.8, 0.0029399/step, 0.2837 hours remaining, 210.031250 MB of memory in use. ENERGY: 4652600 720.7814 2100.5517 1898.2057 116.8560 -206228.3489 17705.5026 0.0000 0.0000 34322.7729 -149363.6786 299.7493 -183686.4515 -149261.8127 298.7822 21.1940 52.5954 556302.4194 -9.0699 -8.9740 PRESSURE: 4652800 -49.215 -81.1547 -35.9333 -81.1542 -67.8312 149.292 -35.9335 149.293 -185.919 GPRESSURE: 4652800 -19.6624 35.7985 19.3254 6.33976 21.3149 168.562 -123.481 71.7262 -199.297 PRESSAVG: 4652800 -1.78319 -7.02698 32.6264 -7.02699 48.4846 -8.19964 32.6263 -8.19975 -35.4731 GPRESSAVG: 4652800 -1.50374 -9.25977 36.02 -5.29399 48.8914 -8.23406 28.9817 -8.60973 -35.81 TIMING: 4652800 CPU: 13813.4, 0.0029652/step Wall: 13813.4, 0.0029652/step, 0.285977 hours remaining, 210.031250 MB of memory in use. ENERGY: 4652800 734.0494 2109.4095 1898.5742 111.9912 -206114.9115 17669.7581 0.0000 0.0000 34453.5657 -149137.5634 300.8916 -183591.1291 -149040.2881 298.9049 -100.9885 -65.8816 558425.0720 3.7428 3.8592 PRESSURE: 4653000 -115.016 87.1324 94.7847 87.1317 45.2529 -100.667 94.7851 -100.668 375.209 GPRESSURE: 4653000 -59.0355 58.0839 30.5244 -18.5385 43.0335 -129.664 101.366 -70.7306 411.528 PRESSAVG: 4653000 -6.743 90.0033 48.5506 90.0033 45.5922 -4.53369 48.5506 -4.53376 -58.0921 GPRESSAVG: 4653000 -6.9234 90.295 47.6591 89.1942 46.6991 -4.8487 52.1041 -5.66926 -58.8216 TIMING: 4653000 CPU: 13814, 0.00299049/step Wall: 13814, 0.00299049/step, 0.28825 hours remaining, 210.031250 MB of memory in use. ENERGY: 4653000 786.6422 2021.4337 1896.2874 101.6024 -206401.4970 17990.5591 0.0000 0.0000 34377.2646 -149227.7076 300.2252 -183604.9722 -149130.5043 299.8121 101.8153 131.8421 556453.1671 -6.4143 -6.3486 PRESSURE: 4653200 -77.8836 -10.7186 75.4222 -10.7187 -180.979 -71.8175 75.4217 -71.8161 -101.655 GPRESSURE: 4653200 -84.9952 -84.2192 43.8481 -6.32329 -180.23 -110.133 40.8999 -63.9529 10.834 PRESSAVG: 4653200 2.47395 46.2408 57.5333 46.241 1.21522 -53.3307 57.5334 -53.3306 22.568 GPRESSAVG: 4653200 2.33442 46.2918 57.2286 46.8687 -0.311591 -52.4373 57.5576 -51.6588 24.3905 TIMING: 4653200 CPU: 13814.6, 0.00294114/step Wall: 13814.6, 0.00294113/step, 0.283329 hours remaining, 210.031250 MB of memory in use. ENERGY: 4653200 803.8535 2122.6903 1931.0126 114.0817 -206047.0820 17681.1439 0.0000 0.0000 34064.2335 -149330.0664 297.4914 -183394.2999 -149242.5742 298.8980 -120.1724 -84.7969 557390.3163 8.7524 8.8044 PRESSURE: 4653400 177.484 46.8263 -203.413 46.8262 135.812 -32.6384 -203.414 -32.6376 99.6782 GPRESSURE: 4653400 260.913 54.7735 -259.848 5.98522 192.851 -7.19181 -136.015 -6.39281 74.1983 PRESSAVG: 4653400 -57.0302 10.0886 6.50995 10.0885 53.6337 31.9662 6.50986 31.9662 17.8545 GPRESSAVG: 4653400 -57.727 9.9087 4.49074 10.4166 53.1464 31.5427 7.07903 31.9652 18.9253 TIMING: 4653400 CPU: 13815.2, 0.00291602/step Wall: 13815.2, 0.00291602/step, 0.280748 hours remaining, 210.031250 MB of memory in use. ENERGY: 4653400 730.9440 2095.8848 1924.2093 106.7532 -206137.8151 17946.5100 0.0000 0.0000 34194.9888 -149138.5250 298.6333 -183333.5138 -149045.9424 298.9314 137.6578 175.9875 555897.1023 4.8193 4.7816 PRESSURE: 4653600 -124.324 -37.3238 -51.5155 -37.3242 -15.9966 117.552 -51.5148 117.552 -8.52121 GPRESSURE: 4653600 -130.306 37.6102 -8.00371 -55.5752 30.745 103.923 18.4338 103.514 67.4542 PRESSAVG: 4653600 -29.0387 -24.9032 -46.341 -24.9032 -31.7685 8.88348 -46.341 8.88348 69.8913 GPRESSAVG: 4653600 -29.2789 -24.7659 -44.9458 -27.3864 -30.2569 9.73503 -47.5054 8.11148 68.9247 TIMING: 4653600 CPU: 13815.8, 0.00296061/step Wall: 13815.8, 0.00296061/step, 0.284877 hours remaining, 210.031250 MB of memory in use. ENERGY: 4653600 767.5849 2080.7957 1904.2106 112.0956 -206504.7601 17944.2410 0.0000 0.0000 34420.1840 -149275.6483 300.6000 -183695.8323 -149176.6937 299.2851 -49.6140 -10.7023 556362.1733 3.0280 3.1296 PRESSURE: 4653800 -34.52 76.451 68.5906 76.4505 145.79 -157.353 68.5895 -157.353 15.656 GPRESSURE: 4653800 5.39503 75.1673 14.67 38.0358 159.066 -185.483 128.103 -136.417 61.5806 PRESSAVG: 4653800 -41.3372 1.72783 -6.19026 1.72773 45.909 5.4697 -6.19032 5.4696 -6.20539 GPRESSAVG: 4653800 -39.4505 1.9235 -5.1225 3.56313 44.7437 5.64202 -6.99697 5.14249 -7.20742 TIMING: 4653800 CPU: 13816.4, 0.00298238/step Wall: 13816.4, 0.00298238/step, 0.286806 hours remaining, 210.031250 MB of memory in use. ENERGY: 4653800 748.3949 2105.8326 1930.3592 119.2123 -206044.0805 17772.7101 0.0000 0.0000 34146.6129 -149220.9586 298.2109 -183367.5714 -149122.8084 299.6646 42.3085 75.3473 557050.9865 -0.5445 -0.6381 PRESSURE: 4654000 153.367 -39.5087 50.7539 -39.5084 -205.349 -45.4385 50.754 -45.4375 -75.0806 GPRESSURE: 4654000 191.984 -88.0702 73.3126 -31.6017 -168.931 -108.414 10.2678 -23.8128 -47.0616 PRESSAVG: 4654000 7.32551 -1.70222 27.2504 -1.70218 47.697 -18.8679 27.2505 -18.8681 -28.3465 GPRESSAVG: 4654000 6.36805 -1.14647 27.5551 -1.23142 48.5012 -21.0899 28.7268 -18.6684 -27.7933 TIMING: 4654000 CPU: 13817, 0.00295368/step Wall: 13817, 0.00295368/step, 0.283881 hours remaining, 210.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4654000 718.3813 2093.1854 1939.5144 96.1769 -206189.5897 17744.5097 0.0000 0.0000 34116.2545 -149481.5675 297.9457 -183597.8220 -149394.2255 298.4494 -42.3543 -8.0028 557095.2189 8.8920 9.0253 PRESSURE: 4654200 -44.4213 10.3803 163.537 10.3803 -6.88083 -36.3224 163.538 -36.3235 -111.646 GPRESSURE: 4654200 3.30253 41.7454 245.026 -142.668 37.4433 -25.2095 155.226 -9.50475 -107.144 PRESSAVG: 4654200 60.0854 -38.0879 -25.0592 -38.0878 28.3377 28.2703 -25.0593 28.2702 -36.424 GPRESSAVG: 4654200 60.5251 -39.098 -25.4248 -39.3232 29.33 29.0307 -24.3713 27.6007 -37.5923 TIMING: 4654200 CPU: 13817.6, 0.00292083/step Wall: 13817.6, 0.00292083/step, 0.280562 hours remaining, 210.031250 MB of memory in use. ENERGY: 4654200 727.8142 2052.4017 1952.1801 103.5179 -206304.8766 17909.1813 0.0000 0.0000 34066.3094 -149493.4720 297.5096 -183559.7814 -149401.4526 297.6937 -54.3160 -22.1326 557947.6913 17.3330 17.4209 PRESSURE: 4654400 109.525 -136.747 -74.3085 -136.746 278.288 -69.4797 -74.3082 -69.4809 3.48616 GPRESSURE: 4654400 166.616 -173.379 -11.4002 -126.643 288.921 -65.8254 -92.4899 -137.893 31.7864 PRESSAVG: 4654400 -22.9853 -29.9425 6.62605 -29.9425 40.1621 13.0547 6.62599 13.0548 -52.7508 GPRESSAVG: 4654400 -23.187 -28.0869 5.75164 -29.3686 39.5315 13.7846 5.46173 13.537 -51.6688 TIMING: 4654400 CPU: 13818.1, 0.0029352/step Wall: 13818.1, 0.0029352/step, 0.281779 hours remaining, 210.031250 MB of memory in use. ENERGY: 4654400 762.4143 2018.9230 1933.3868 113.5161 -206431.1933 18037.3471 0.0000 0.0000 34105.8120 -149459.7940 297.8545 -183565.6060 -149363.6399 298.6466 130.4328 162.4409 556721.9228 -11.8580 -11.7748 PRESSURE: 4654600 95.0056 64.9747 -170.837 64.9754 181.475 -8.31662 -170.836 -8.31718 -141.531 GPRESSURE: 4654600 130.078 117.161 -174.398 59.8794 218.294 5.34822 -207.927 0.159556 -126.763 PRESSAVG: 4654600 -32.4778 -6.34176 4.82259 -6.34172 -27.3555 -11.7954 4.82265 -11.7954 48.512 GPRESSAVG: 4654600 -32.1028 -6.3166 5.078 -6.24177 -27.4348 -14.159 6.28817 -9.78622 48.4981 TIMING: 4654600 CPU: 13818.7, 0.00291963/step Wall: 13818.7, 0.00291963/step, 0.280122 hours remaining, 210.031250 MB of memory in use. ENERGY: 4654600 775.6169 2098.3274 1910.7087 120.2266 -206654.3434 18100.2734 0.0000 0.0000 34167.1977 -149481.9928 298.3906 -183649.1905 -149387.7549 298.3096 44.9832 73.8697 556240.5245 -3.7738 -3.6798 PRESSURE: 4654800 196.371 114.649 17.6198 114.65 68.3268 -25.9191 17.6191 -25.92 -7.80867 GPRESSURE: 4654800 233.288 94.9194 -63.395 49.3877 61.6029 58.2142 56.5258 -31.3405 64.4565 PRESSAVG: 4654800 6.54322 23.1923 -34.9697 23.1923 -38.9474 -4.10257 -34.9697 -4.10248 37.3652 GPRESSAVG: 4654800 6.94884 22.335 -36.2775 21.4743 -39.1493 -2.25196 -36.8479 -4.99801 36.8263 TIMING: 4654800 CPU: 13819.3, 0.00291294/step Wall: 13819.3, 0.00291294/step, 0.279318 hours remaining, 210.031250 MB of memory in use. ENERGY: 4654800 768.8407 2089.0983 1930.7861 110.5433 -206946.3203 18216.9773 0.0000 0.0000 34442.8361 -149387.2385 300.7979 -183830.0746 -149286.3184 299.3020 85.6296 119.7825 557535.1269 1.6537 1.5419 PRESSURE: 4655000 -126.467 148.482 37.6777 148.481 -94.6186 -35.0904 37.6776 -35.0899 -19.5068 GPRESSURE: 4655000 -97.2093 174.999 10.1883 165.333 -42.1376 -98.9123 118.701 -13.4736 -7.30095 PRESSAVG: 4655000 9.61748 28.2294 -8.08131 28.2294 -34.6594 8.154 -8.08135 8.1539 42.8151 GPRESSAVG: 4655000 8.54563 29.5559 -5.46038 27.9685 -35.0595 8.45548 -8.85272 9.80021 43.7079 TIMING: 4655000 CPU: 13819.9, 0.00292535/step Wall: 13819.9, 0.00292535/step, 0.280346 hours remaining, 210.031250 MB of memory in use. ENERGY: 4655000 775.1400 2147.7358 1920.1793 138.0586 -206195.7089 17675.0347 0.0000 0.0000 34343.5136 -149196.0469 299.9304 -183539.5605 -149106.3364 299.7929 -80.1974 -48.8826 558401.0599 5.9244 5.7313 PRESSURE: 4655200 -99.0002 126.993 -131.456 126.994 67.8539 -96.0581 -131.455 -96.0577 -83.7066 GPRESSURE: 4655200 -36.2505 103.647 -157.877 150.545 51.6575 -112.694 -163.427 -23.32 -41.6332 PRESSAVG: 4655200 -23.5797 69.349 8.49351 69.3489 58.8641 -4.72736 8.49347 -4.72733 -17.2789 GPRESSAVG: 4655200 -23.7638 68.6253 5.71333 71.3546 59.2547 -5.287 10.1331 -5.24857 -17.2618 TIMING: 4655200 CPU: 13820.5, 0.00293427/step Wall: 13820.5, 0.00293427/step, 0.281038 hours remaining, 210.031250 MB of memory in use. ENERGY: 4655200 717.8082 2130.5501 1944.2497 107.3824 -206006.9196 17678.7325 0.0000 0.0000 34184.0264 -149244.1704 298.5376 -183428.1967 -149141.3953 299.4157 -38.2843 -8.7421 558071.8869 6.0018 6.0764 PRESSURE: 4655400 -207.899 -156.699 -52.768 -156.698 -393.604 28.3197 -52.7694 28.319 138.185 GPRESSURE: 4655400 -149.966 -189.461 10.882 -149.064 -360.37 -29.8202 -36.9166 24.2613 146.453 PRESSAVG: 4655400 68.5847 -15.5903 -17.7073 -15.5904 -56.5085 8.2656 -17.7074 8.26556 -37.9575 GPRESSAVG: 4655400 69.2895 -16.6056 -16.4368 -15.1318 -57.3244 8.68923 -18.2735 6.68866 -37.9211 TIMING: 4655400 CPU: 13821.1, 0.00295551/step Wall: 13821.1, 0.00295551/step, 0.282908 hours remaining, 210.031250 MB of memory in use. ENERGY: 4655400 714.0793 2114.2742 1915.8703 112.1628 -205784.5215 17437.5811 0.0000 0.0000 34319.4934 -149171.0605 299.7207 -183490.5539 -149070.8536 299.1889 -154.4394 -121.2943 558065.8378 -8.6271 -8.6520 PRESSURE: 4655600 187.797 -78.4136 1.86221 -78.4122 -326.638 22.838 1.86293 22.8379 48.5311 GPRESSURE: 4655600 227.845 -80.1788 61.4352 -16.9286 -234.849 6.67878 -10.4379 21.9958 21.0013 PRESSAVG: 4655600 99.9841 -28.3713 19.0454 -28.3713 -39.66 38.6817 19.0453 38.6817 -31.2653 GPRESSAVG: 4655600 99.0944 -27.9691 19.3668 -28.7711 -39.5481 38.0999 18.9626 38.7524 -31.0966 TIMING: 4655600 CPU: 13821.7, 0.00292049/step Wall: 13821.7, 0.00292049/step, 0.279394 hours remaining, 210.031250 MB of memory in use. ENERGY: 4655600 720.6384 2028.3344 1927.1238 111.0055 -206056.1544 17739.6622 0.0000 0.0000 34209.8720 -149319.5181 298.7633 -183529.3901 -149217.6286 299.1584 -30.1034 4.6656 559081.4559 9.6863 9.4832 PRESSURE: 4655800 -166.364 81.648 7.9849 81.6479 -62.1291 62.2795 7.98622 62.2792 -82.1027 GPRESSURE: 4655800 -146.835 -24.4984 19.7429 91.1619 -32.1396 130.894 -42.6052 116.613 -34.599 PRESSAVG: 4655800 26.2709 -47.7543 -30.9262 -47.7543 20.42 11.078 -30.9261 11.078 -55.0522 GPRESSAVG: 4655800 26.8032 -47.3883 -30.8619 -49.3216 21.1189 13.4566 -33.3075 10.1817 -56.2283 TIMING: 4655800 CPU: 13822.2, 0.00292682/step Wall: 13822.2, 0.00292682/step, 0.279836 hours remaining, 210.031250 MB of memory in use. ENERGY: 4655800 759.4036 2124.4171 1913.9649 102.7038 -206177.0051 17618.2471 0.0000 0.0000 34376.3082 -149281.9603 300.2168 -183658.2685 -149190.3202 299.5632 -103.5319 -71.1912 557607.3299 -2.7871 -2.7687 PRESSURE: 4656000 463.927 -140.887 -81.9473 -140.89 -12.4195 -27.5723 -81.9471 -27.572 -37.4863 GPRESSURE: 4656000 484.068 -196.024 -110.718 -71.6766 20.5621 -32.2057 -42.1632 13.772 15.6687 PRESSAVG: 4656000 54.1697 -57.4151 7.19477 -57.4151 -73.7864 -15.9606 7.19483 -15.9606 8.11489 GPRESSAVG: 4656000 53.543 -59.0395 8.29837 -55.0578 -74.0379 -15.8607 8.30238 -15.379 8.50686 TIMING: 4656000 CPU: 13822.8, 0.00293224/step Wall: 13822.8, 0.00293224/step, 0.280192 hours remaining, 210.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4656000 710.8277 2071.9326 1932.1855 109.0005 -206221.4251 17852.6006 0.0000 0.0000 34326.7888 -149218.0895 299.7844 -183544.8782 -149120.3364 299.3935 138.0070 173.4330 556898.5455 -3.8340 -3.9960 PRESSURE: 4656200 29.7368 221.746 69.105 221.746 65.376 -118.767 69.1053 -118.767 -228.273 GPRESSURE: 4656200 50.1151 115.154 61.0077 272.343 82.3705 -187.577 77.1861 -38.0933 -164.261 PRESSAVG: 4656200 -2.70924 -21.0696 6.89719 -21.0697 12.6147 -4.08405 6.89712 -4.08407 -26.14 GPRESSAVG: 4656200 -2.27718 -20.9186 5.52446 -20.777 12.045 -3.49057 6.90472 -5.49558 -25.9992 TIMING: 4656200 CPU: 13823.4, 0.00295643/step Wall: 13823.4, 0.00295643/step, 0.282339 hours remaining, 210.031250 MB of memory in use. ENERGY: 4656200 733.3201 2106.2832 1925.9600 113.1402 -206294.4010 17830.1805 0.0000 0.0000 34541.2819 -149044.2351 301.6576 -183585.5170 -148951.0596 299.9567 -44.3866 -10.5918 558302.5075 -5.4115 -5.4105 LDB: ============= START OF LOAD BALANCING ============== 13827 LDB: ============== END OF LOAD BALANCING =============== 13827 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13827 LDB: ============= START OF LOAD BALANCING ============== 13827.3 LDB: Largest compute 4801 load 0.021328 is 18.0% of average load 0.118271 LDB: Average compute 0.001727 is 1.5% of average load 0.118271 LDB: TIME 13827.3 LOAD: AVG 0.118271 MAX 0.198259 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.906 MB LDB: TIME 13827.3 LOAD: AVG 0.118271 MAX 0.198259 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.906 MB LDB: TIME 13827.3 LOAD: AVG 0.118271 MAX 0.198259 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.906 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13827.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13827.3 PRESSURE: 4656400 -296.433 96.9761 -41.5401 96.9755 -9.14092 -1.46949 -41.539 -1.46925 -201.196 GPRESSURE: 4656400 -267.832 62.2167 -35.1575 116.104 64.0489 -20.5466 12.7725 -29.0869 -214.688 PRESSAVG: 4656400 37.273 18.1514 -32.2376 18.1514 58.4716 14.8438 -32.2377 14.8439 -46.2749 GPRESSAVG: 4656400 37.6061 18.3295 -31.1909 16.982 59.1257 13.4079 -33.2798 13.4997 -47.0819 TIMING: 4656400 CPU: 13824, 0.00301641/step Wall: 13824, 0.00301641/step, 0.287899 hours remaining, 208.550781 MB of memory in use. ENERGY: 4656400 750.6097 2134.9010 1942.6477 108.0304 -205973.4014 17668.2699 0.0000 0.0000 34178.5552 -149190.3877 298.4898 -183368.9428 -149095.9450 299.3321 -168.9233 -139.4904 557826.6867 16.4899 16.5500 PRESSURE: 4656600 6.89958 136.033 -94.0725 136.033 15.7105 24.7196 -94.0725 24.718 -135.643 GPRESSURE: 4656600 43.3581 125.064 -43.8663 187.981 40.1239 80.4298 -93.3269 89.9899 -106.874 PRESSAVG: 4656600 5.99462 18.4416 -54.2954 18.4416 8.12148 -18.1226 -54.2954 -18.1226 -26.7431 GPRESSAVG: 4656600 4.46454 18.5515 -54.8334 16.8503 8.28049 -18.6916 -54.5909 -15.2236 -25.382 TIMING: 4656600 CPU: 13824.6, 0.00295607/step Wall: 13824.6, 0.00295607/step, 0.281976 hours remaining, 208.753906 MB of memory in use. ENERGY: 4656600 755.7464 2108.8788 1940.9287 110.8447 -206887.2532 18038.3347 0.0000 0.0000 34551.6434 -149380.8765 301.7481 -183932.5199 -149275.6483 299.4344 -37.6776 -7.7972 557130.3239 -4.2090 -4.2123 PRESSURE: 4656800 94.1658 71.9159 -320.516 71.9153 -233.426 122.023 -320.516 122.022 29.6956 GPRESSURE: 4656800 110.147 118.933 -363.59 83.2312 -193.797 146.633 -340.55 161.393 70.1005 PRESSAVG: 4656800 23.631 36.1445 -72.069 36.1444 20.9097 -23.46 -72.069 -23.4602 -53.9865 GPRESSAVG: 4656800 24.2465 36.0067 -70.0452 36.3178 20.767 -24.5852 -70.6843 -24.6582 -54.469 TIMING: 4656800 CPU: 13825.2, 0.00296563/step Wall: 13825.2, 0.00296563/step, 0.282723 hours remaining, 208.753906 MB of memory in use. ENERGY: 4656800 744.6074 2088.2751 1956.4514 107.2414 -206208.9019 17868.3727 0.0000 0.0000 34352.3388 -149091.6151 300.0075 -183443.9539 -148992.9472 299.4658 -36.5217 -4.5164 557930.0497 -3.1486 -3.1518 PRESSURE: 4657000 -130.494 84.7315 -25.852 84.7324 -71.7102 6.23994 -25.8521 6.23943 -191.902 GPRESSURE: 4657000 -87.9819 88.8865 -48.0283 160.533 -23.7245 -4.48981 -38.8299 20.3829 -182.223 PRESSAVG: 4657000 -8.76582 -13.5188 3.30445 -13.5187 18.754 -51.4626 3.30448 -51.4624 9.46409 GPRESSAVG: 4657000 -7.33555 -12.4545 1.39732 -13.2561 18.5364 -49.3053 2.79793 -50.4545 8.37233 TIMING: 4657000 CPU: 13825.8, 0.00294923/step Wall: 13825.8, 0.00294923/step, 0.280996 hours remaining, 208.753906 MB of memory in use. ENERGY: 4657000 700.4499 2108.9491 1940.0645 116.0469 -205753.8279 17674.7841 0.0000 0.0000 34154.6751 -149058.8583 298.2813 -183213.5334 -148970.9330 299.8676 -131.3684 -97.9763 558826.2160 6.4841 6.5244 PRESSURE: 4657200 -99.361 124.615 133.112 124.616 -222.293 -58.3048 133.114 -58.3037 -169.458 GPRESSURE: 4657200 -40.0939 27.7298 134.063 131.101 -167.54 -32.0417 182.084 -132.524 -186.793 PRESSAVG: 4657200 -31.7319 8.01543 -38.2133 8.01549 -21.8665 9.62772 -38.2133 9.62775 40.4093 GPRESSAVG: 4657200 -32.4777 6.31104 -38.9989 8.60728 -21.4541 7.97959 -37.2392 8.30964 40.203 TIMING: 4657200 CPU: 13826.4, 0.0029156/step Wall: 13826.4, 0.0029156/step, 0.277629 hours remaining, 208.753906 MB of memory in use. ENERGY: 4657200 782.6317 2075.4138 1959.6415 118.8292 -205999.4311 17643.1817 0.0000 0.0000 34222.7742 -149196.9590 298.8760 -183419.7332 -149101.1508 299.4851 -163.7041 -131.4755 558494.8700 -4.3964 -4.5763 PRESSURE: 4657400 221.246 114.366 40.2842 114.367 -101.18 -104.032 40.2845 -104.032 -82.1248 GPRESSURE: 4657400 261.682 113.172 46.0117 159.356 -61.1794 -187.301 0.34319 -7.90428 -58.9187 PRESSAVG: 4657400 5.73418 -14.0611 -49.3719 -14.061 55.7015 5.19807 -49.372 5.19811 -65.7143 GPRESSAVG: 4657400 4.92328 -12.5255 -49.7822 -14.0131 55.0688 4.79798 -50.981 5.59491 -63.9075 TIMING: 4657400 CPU: 13827, 0.00293117/step Wall: 13827, 0.00293117/step, 0.27895 hours remaining, 208.753906 MB of memory in use. ENERGY: 4657400 726.1985 2107.6218 1942.0641 117.5798 -206411.8731 17857.7665 0.0000 0.0000 34253.4919 -149407.1505 299.1443 -183660.6424 -149310.0885 298.9938 12.6471 47.1945 556751.8249 -1.4262 -1.3051 PRESSURE: 4657600 -230.967 -20.5173 -125.878 -20.5187 -287.907 -105.058 -125.878 -105.058 -114.961 GPRESSURE: 4657600 -193.436 62.5578 -93.7268 12.0947 -221.393 -105.936 -71.7911 -24.0368 -118.088 PRESSAVG: 4657600 -47.3961 86.1461 0.458522 86.1461 43.5933 -23.5149 0.458537 -23.5149 -20.0357 GPRESSAVG: 4657600 -46.8556 85.1653 -0.196165 87.8881 44.2243 -21.0473 2.08293 -23.2114 -20.6857 TIMING: 4657600 CPU: 13827.6, 0.00294735/step Wall: 13827.6, 0.00294735/step, 0.280326 hours remaining, 208.753906 MB of memory in use. ENERGY: 4657600 770.0971 2070.7286 1953.4679 117.4126 -205840.9078 17314.5264 0.0000 0.0000 34319.5891 -149295.0861 299.7215 -183614.6752 -149197.2246 299.7492 -211.2785 -177.6392 556175.1987 -7.9462 -7.7723 PRESSURE: 4657800 86.833 131.05 106.713 131.05 -67.0648 130.9 106.713 130.901 -91.7925 GPRESSURE: 4657800 101.58 110.258 123.084 158.587 -40.267 138.066 72.6437 111.603 -23.6455 PRESSAVG: 4657800 18.3502 54.0211 19.7392 54.021 -49.6868 -12.8155 19.7392 -12.8155 18.5241 GPRESSAVG: 4657800 18.4459 54.446 20.535 53.7366 -49.3274 -16.3061 19.4523 -12.5058 18.4014 TIMING: 4657800 CPU: 13828.1, 0.00295798/step Wall: 13828.1, 0.00295798/step, 0.281173 hours remaining, 208.753906 MB of memory in use. ENERGY: 4657800 716.0676 2118.6718 1945.0487 131.6593 -205767.4503 17546.5647 0.0000 0.0000 34207.9722 -149101.4661 298.7467 -183309.4383 -149005.8229 299.7542 -24.0081 12.5558 555807.2514 -4.2708 -4.1600 PRESSURE: 4658000 23.3608 61.5038 -109.366 61.505 -44.0483 86.6376 -109.367 86.6389 -296.218 GPRESSURE: 4658000 20.9337 10.8316 -3.72958 47.1618 25.5687 73.1057 -103.3 58.798 -262.363 PRESSAVG: 4658000 62.5854 0.578413 -55.9121 0.578454 -15.0462 -6.14856 -55.9122 -6.14845 7.57135 GPRESSAVG: 4658000 62.4107 0.218179 -53.9297 -1.11105 -14.7504 -4.23712 -57.6445 -7.80776 7.11133 TIMING: 4658000 CPU: 13828.7, 0.00293674/step Wall: 13828.7, 0.00293674/step, 0.27899 hours remaining, 208.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4658000 754.2632 2036.5478 1959.7275 112.7029 -205930.8241 17592.3818 0.0000 0.0000 34290.3297 -149184.8712 299.4660 -183475.2010 -149084.0403 299.4291 -105.6352 -71.9535 557794.8607 18.3702 18.2572 PRESSURE: 4658200 70.8381 78.5599 -95.4374 78.5596 -141.208 65.8136 -95.4375 65.8149 5.21257 GPRESSURE: 4658200 87.9204 19.4571 -114.555 -28.8432 -136.786 98.1916 -12.5969 112.87 83.4159 PRESSAVG: 4658200 61.7614 -4.10711 -61.4852 -4.10714 -19.0082 22.791 -61.4851 22.791 -97.9025 GPRESSAVG: 4658200 61.5841 -5.32607 -63.7179 -4.72725 -19.9886 22.7717 -59.8515 24.9126 -96.6998 TIMING: 4658200 CPU: 13829.3, 0.00293276/step Wall: 13829.3, 0.00293276/step, 0.278449 hours remaining, 208.753906 MB of memory in use. ENERGY: 4658200 731.6553 2106.0926 1947.6455 128.1274 -205938.3663 17622.8310 0.0000 0.0000 34252.1467 -149149.8677 299.1325 -183402.0144 -149057.9155 298.7996 -21.7192 11.5168 557893.0164 -18.3831 -18.3681 PRESSURE: 4658400 -297.384 38.0693 19.6476 38.069 -274.409 126.313 19.648 126.315 84.8287 GPRESSURE: 4658400 -270.319 12.5065 61.5225 -46.9002 -200.687 177.946 -58.7477 105.34 79.7302 PRESSAVG: 4658400 27.3622 -4.3914 -61.6965 -4.39137 32.1867 74.6627 -61.6964 74.6626 -11.2361 GPRESSAVG: 4658400 26.9533 -3.31312 -62.6073 -4.05997 32.607 74.2232 -61.0979 71.6704 -11.3688 TIMING: 4658400 CPU: 13829.9, 0.00293568/step Wall: 13829.9, 0.00293568/step, 0.278564 hours remaining, 208.753906 MB of memory in use. ENERGY: 4658400 752.4216 2100.1773 1941.8318 120.8569 -205960.9341 17662.5817 0.0000 0.0000 34216.0165 -149167.0483 298.8170 -183383.0648 -149067.1554 299.5820 -162.3213 -130.4256 558878.9110 16.1043 16.0638 PRESSURE: 4658600 -102.804 -54.1489 38.6184 -54.1482 33.9766 -47.3321 38.6181 -47.3311 -144.758 GPRESSURE: 4658600 -85.538 -71.2671 -20.1029 -46.5266 74.6255 -5.52689 21.3128 -48.3719 -112.308 PRESSAVG: 4658600 -44.5405 33.3484 15.3956 33.3485 -2.73181 2.54738 15.3956 2.54734 30.4358 GPRESSAVG: 4658600 -43.0573 32.774 17.2888 33.1634 -2.73828 1.87946 15.0029 4.25032 29.7212 TIMING: 4658600 CPU: 13830.5, 0.00296123/step Wall: 13830.5, 0.00296123/step, 0.280823 hours remaining, 208.753906 MB of memory in use. ENERGY: 4658600 784.2592 2129.0143 1938.8362 111.0721 -206157.7376 17777.7601 0.0000 0.0000 34374.3321 -149042.4636 300.1996 -183416.7958 -148940.2530 299.6986 -71.1949 -41.0735 557654.4178 -5.6122 -5.3581 PRESSURE: 4658800 184.847 33.6112 34.8882 33.6101 -90.0405 216.338 34.8883 216.338 -137.37 GPRESSURE: 4658800 163.09 99.4259 44.3651 5.4059 -31.7077 235.268 12.4808 135.327 -80.2132 PRESSAVG: 4658800 46.9598 14.6582 -21.4769 14.6582 -47.6452 12.6695 -21.4768 12.6695 16.3626 GPRESSAVG: 4658800 46.1391 15.2717 -20.5812 15.5768 -47.4911 14.8987 -20.3766 11.2104 16.8199 TIMING: 4658800 CPU: 13831.1, 0.00293625/step Wall: 13831.1, 0.00293625/step, 0.278291 hours remaining, 208.753906 MB of memory in use. ENERGY: 4658800 747.6547 2054.5519 1953.3734 103.8048 -206256.5790 17785.8513 0.0000 0.0000 34309.5406 -149301.8023 299.6338 -183611.3429 -149207.9181 299.2610 -14.1880 17.0564 557923.3644 5.2257 5.1560 PRESSURE: 4659000 26.6845 -38.4116 -156.816 -38.411 99.2762 -74.6251 -156.814 -74.6262 -95.6021 GPRESSURE: 4659000 65.1957 -98.113 -127.713 -61.033 105.69 -90.8576 -240.357 -41.3511 -56.1741 PRESSAVG: 4659000 61.0207 8.13097 10.588 8.13097 -84.9638 32.6775 10.588 32.6774 37.0146 GPRESSAVG: 4659000 61.5683 7.97064 9.18648 8.70602 -86.0046 31.6111 8.54217 32.1475 37.8485 TIMING: 4659000 CPU: 13831.7, 0.00293318/step Wall: 13831.7, 0.00293318/step, 0.277837 hours remaining, 208.753906 MB of memory in use. ENERGY: 4659000 771.9179 2125.8259 1919.0841 103.9100 -206046.4592 17767.7087 0.0000 0.0000 34058.2152 -149299.7974 297.4389 -183358.0127 -149205.2416 299.4782 10.1195 38.2372 558922.7939 4.3572 4.4708 PRESSURE: 4659200 73.8293 74.4669 129.477 74.4669 -126.118 1.64469 129.478 1.64444 13.286 GPRESSURE: 4659200 121.148 121.583 140.333 152.043 -102.022 -30.0438 125.793 -39.2585 37.7272 PRESSAVG: 4659200 19.8096 43.6857 -0.922883 43.6856 -18.5382 15.3064 -0.922908 15.3065 35.7802 GPRESSAVG: 4659200 20.6672 44.1557 -4.02905 44.1487 -18.6678 13.8856 1.8112 16.5673 34.8982 TIMING: 4659200 CPU: 13832.3, 0.00291978/step Wall: 13832.3, 0.00291978/step, 0.276405 hours remaining, 208.753906 MB of memory in use. ENERGY: 4659200 758.8417 2085.3795 1949.0320 106.4825 -206229.5889 17880.2151 0.0000 0.0000 34244.8655 -149204.7724 299.0689 -183449.6380 -149115.5312 299.3041 -13.0008 18.9510 557966.0775 12.3505 12.2992 PRESSURE: 4659400 162.057 -1.12984 -70.0997 -1.12882 285.905 86.0364 -70.1013 86.0376 -140.641 GPRESSURE: 4659400 149.159 -12.4912 -105.232 66.5778 330.729 52.8506 -31.8625 101.638 -59.671 PRESSAVG: 4659400 0.998307 42.3106 6.85402 42.3105 -27.0796 -17.4338 6.85394 -17.4337 54.9395 GPRESSAVG: 4659400 0.225573 40.7964 8.42032 40.3218 -26.0501 -17.4802 6.27149 -18.813 54.516 TIMING: 4659400 CPU: 13832.8, 0.00293938/step Wall: 13832.8, 0.00293938/step, 0.278098 hours remaining, 208.753906 MB of memory in use. ENERGY: 4659400 737.3298 2132.0967 1956.3272 121.4327 -206391.8081 18032.8041 0.0000 0.0000 34324.9036 -149086.9140 299.7679 -183411.8176 -148988.1133 299.6748 102.4406 140.0721 557264.0050 9.6194 9.5638 PRESSURE: 4659600 151.874 -208.02 50.9202 -208.02 -244.917 -2.01766 50.9218 -2.01688 -352.611 GPRESSURE: 4659600 141.161 -223.942 69.7766 -206.859 -185.887 106.086 -1.00075 -32.9584 -312.384 PRESSAVG: 4659600 37.6699 7.11458 -36.6486 7.11462 -23.5113 25.8225 -36.6487 25.8225 -34.0976 GPRESSAVG: 4659600 37.7387 6.81647 -38.1697 8.9963 -23.2557 26.8062 -36.4738 27.1802 -34.5933 TIMING: 4659600 CPU: 13833.4, 0.00295084/step Wall: 13833.4, 0.00295084/step, 0.279018 hours remaining, 208.753906 MB of memory in use. ENERGY: 4659600 751.3347 2136.7167 1944.2156 115.8850 -206133.3371 17635.2466 0.0000 0.0000 34432.7305 -149117.2080 300.7096 -183549.9386 -149018.3216 300.1875 -148.5513 -119.0370 558119.3472 -6.6463 -6.7034 PRESSURE: 4659800 119.492 -33.9805 1.17872 -33.9799 -225.932 154.043 1.17755 154.043 30.924 GPRESSURE: 4659800 118.245 -74.0039 24.1887 10.1281 -161.315 109.007 -7.18602 221.443 71.7065 PRESSAVG: 4659800 10.1146 -43.068 51.4728 -43.0681 -4.11689 10.2178 51.4727 10.2179 -61.9159 GPRESSAVG: 4659800 10.581 -41.1424 52.432 -46.7065 -4.75429 10.5107 51.36 9.88614 -62.0904 TIMING: 4659800 CPU: 13834, 0.00296383/step Wall: 13834, 0.00296383/step, 0.280082 hours remaining, 208.753906 MB of memory in use. ENERGY: 4659800 732.2777 2092.3541 1945.7801 109.2541 -206099.8757 17764.7122 0.0000 0.0000 34276.2240 -149179.2734 299.3428 -183455.4974 -149074.8160 300.5117 -25.1721 9.5458 558498.2961 -18.6394 -18.7546 PRESSURE: 4660000 -62.1813 83.4818 -5.83193 83.4815 -94.1074 91.7841 -5.83152 91.7856 0.868449 GPRESSURE: 4660000 -32.8733 125.902 -11.887 93.7484 -48.1043 108.583 6.95317 102.811 25.5144 PRESSAVG: 4660000 10.783 -1.35806 2.27485 -1.35804 -32.7297 12.6622 2.27478 12.6623 7.49734 GPRESSAVG: 4660000 9.98392 -1.06351 2.83769 1.814 -32.3337 13.4278 2.0883 12.6535 8.59404 TIMING: 4660000 CPU: 13834.6, 0.00296697/step Wall: 13834.6, 0.00296697/step, 0.280214 hours remaining, 208.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4660000 746.6808 2139.6082 1960.0370 110.0669 -206568.0680 18010.1273 0.0000 0.0000 34322.1745 -149279.3733 299.7441 -183601.5478 -149180.2355 299.7012 -51.8067 -18.4877 558664.6103 -4.8165 -4.5853 PRESSURE: 4660200 -33.0347 16.7938 -167.887 16.7942 46.4936 6.56134 -167.886 6.56286 -11.2424 GPRESSURE: 4660200 -24.4396 14.0004 -145.199 116.882 106.891 15.1189 -206.675 75.951 13.6474 PRESSAVG: 4660200 -41.1853 -4.94656 -20.7105 -4.94655 20.0302 22.4085 -20.7105 22.4086 33.7787 GPRESSAVG: 4660200 -40.214 -3.89956 -19.3117 -7.5587 19.4536 20.9371 -20.711 23.0821 33.697 TIMING: 4660200 CPU: 13835.2, 0.00294234/step Wall: 13835.2, 0.00294233/step, 0.277724 hours remaining, 208.753906 MB of memory in use. ENERGY: 4660200 727.9909 2100.0717 1962.2050 122.9120 -206457.9785 17743.0538 0.0000 0.0000 34188.3430 -149613.4020 298.5753 -183801.7450 -149521.1767 299.3386 0.7388 32.0329 556662.9065 4.2078 4.3122 LDB: ============= START OF LOAD BALANCING ============== 13838.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13838.8 LDB: =============== DONE WITH MIGRATION ================ 13838.8 LDB: ============= START OF LOAD BALANCING ============== 13839 LDB: Largest compute 4801 load 0.021477 is 18.2% of average load 0.118225 LDB: Average compute 0.001732 is 1.5% of average load 0.118225 LDB: TIME 13839.1 LOAD: AVG 0.118225 MAX 0.195987 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.254 MB LDB: TIME 13839.1 LOAD: AVG 0.118225 MAX 0.195987 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: TIME 13839.1 LOAD: AVG 0.118225 MAX 0.195987 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: ============== END OF LOAD BALANCING =============== 13839.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13839.1 PRESSURE: 4660400 -163.459 63.3337 22.624 63.3347 -135.088 77.9278 22.6241 77.9265 -222.008 GPRESSURE: 4660400 -128.66 91.4597 47.9075 118.864 -105.906 43.2126 -6.83195 58.9709 -198.123 PRESSAVG: 4660400 -63.4049 12.2454 -4.39053 12.2453 -14.457 -0.153296 -4.39053 -0.153319 36.0801 GPRESSAVG: 4660400 -62.7527 12.7868 -4.70928 13.364 -14.9984 1.14027 -4.13504 0.404796 36.5064 TIMING: 4660400 CPU: 13835.8, 0.00299021/step Wall: 13835.8, 0.00299021/step, 0.282077 hours remaining, 208.039062 MB of memory in use. ENERGY: 4660400 737.5693 2081.6084 1955.0191 114.1098 -206088.6695 17374.2251 0.0000 0.0000 34238.5321 -149587.6057 299.0136 -183826.1378 -149490.9186 298.3357 -173.5185 -144.2295 556120.5035 -13.9273 -13.7482 PRESSURE: 4660600 -324.777 30.7218 30.4389 30.721 96.8313 80.9131 30.4394 80.9148 -134.181 GPRESSURE: 4660600 -307.688 -2.03909 41.0971 39.2553 103.051 -32.576 -22.097 85.269 -63.3442 PRESSAVG: 4660600 -51.7756 -29.3673 -20.4315 -29.3672 59.3513 -13.4359 -20.4314 -13.4359 34.322 GPRESSAVG: 4660600 -52.8544 -29.9707 -21.9146 -29.2096 58.9985 -14.3687 -20.838 -13.0085 34.8105 TIMING: 4660600 CPU: 13836.4, 0.00294377/step Wall: 13836.4, 0.00294377/step, 0.277532 hours remaining, 208.039062 MB of memory in use. ENERGY: 4660600 773.6347 2121.6066 1941.8793 110.9980 -206211.0053 17763.3619 0.0000 0.0000 34068.1128 -149431.4120 297.5253 -183499.5248 -149326.9264 298.8002 -120.7088 -89.3270 557490.6952 13.9659 13.6515 PRESSURE: 4660800 15.4405 21.2178 47.6736 21.2165 -6.69048 0.749279 47.6726 0.749609 -282.036 GPRESSURE: 4660800 50.8536 81.7739 92.5373 -36.8765 13.7677 26.7633 20.0502 10.1279 -237.88 PRESSAVG: 4660800 -52.7625 14.679 -32.2891 14.679 17.9781 2.70842 -32.289 2.70832 9.65121 GPRESSAVG: 4660800 -52.7727 14.478 -32.4072 13.6898 18.6979 3.68298 -31.6966 1.44484 8.87436 TIMING: 4660800 CPU: 13837, 0.00296514/step Wall: 13837, 0.00296514/step, 0.279382 hours remaining, 208.039062 MB of memory in use. ENERGY: 4660800 763.9270 2041.7560 1970.2659 102.6783 -206058.9114 17704.6196 0.0000 0.0000 34023.1812 -149452.4834 297.1329 -183475.6646 -149356.3872 298.3837 -91.0952 -57.7529 557568.7279 -8.3777 -8.4002 PRESSURE: 4661000 -8.20457 122.5 -15.9696 122.5 -262.688 76.9865 -15.9694 76.9855 -41.8981 GPRESSURE: 4661000 26.3651 55.8576 76.2405 151.075 -206.195 65.4119 -76.2985 94.0345 -15.9681 PRESSAVG: 4661000 11.1397 -9.48141 -21.7538 -9.48133 -41.3045 55.07 -21.7538 55.0699 30.0742 GPRESSAVG: 4661000 11.4417 -10.0734 -18.9418 -10.7303 -41.8299 56.0254 -22.5634 54.4504 30.1498 TIMING: 4661000 CPU: 13837.6, 0.00295689/step Wall: 13837.6, 0.00295689/step, 0.27844 hours remaining, 208.039062 MB of memory in use. ENERGY: 4661000 751.4253 2040.8685 1934.7438 130.4100 -206259.1699 17790.8582 0.0000 0.0000 34081.7024 -149529.1617 297.6440 -183610.8641 -149433.8747 298.1856 -104.2636 -65.2659 557361.8325 -0.0302 -0.0794 PRESSURE: 4661200 -0.662364 132.546 65.8259 132.547 114.449 104.891 65.8275 104.892 -91.4627 GPRESSURE: 4661200 -1.8616 144.921 35.0698 101.367 171.435 24.6207 22.7322 133.508 -48.9469 PRESSAVG: 4661200 31.3443 -30.543 8.88388 -30.543 -5.91205 18.6871 8.88391 18.6871 -50.6973 GPRESSAVG: 4661200 32.0048 -30.7356 6.88374 -28.3645 -5.10494 16.5059 9.84322 19.4213 -52.2337 TIMING: 4661200 CPU: 13838.2, 0.00294213/step Wall: 13838.2, 0.00294213/step, 0.276887 hours remaining, 208.039062 MB of memory in use. ENERGY: 4661200 728.4845 2129.3447 1958.5183 104.6015 -206542.6084 17870.2654 0.0000 0.0000 34330.2965 -149421.0976 299.8150 -183751.3941 -149323.7495 298.3143 7.4413 40.2087 558001.6337 -8.4217 -8.4446 PRESSURE: 4661400 -133.465 -323.732 96.3981 -323.731 -41.5401 8.59579 96.3985 8.59669 -255.853 GPRESSURE: 4661400 -81.4616 -311.105 173.65 -290.901 6.02203 -34.5535 22.6058 15.4697 -272.133 PRESSAVG: 4661400 75.8081 -21.4314 -66.1654 -21.4313 -59.6399 -23.3315 -66.1653 -23.3315 -25.7401 GPRESSAVG: 4661400 74.8847 -20.9903 -65.2811 -21.7497 -59.4744 -23.1724 -65.7306 -22.9397 -24.7278 TIMING: 4661400 CPU: 13838.8, 0.00294652/step Wall: 13838.8, 0.00294652/step, 0.277136 hours remaining, 208.039062 MB of memory in use. ENERGY: 4661400 761.1627 2080.7820 1931.1408 113.8306 -205995.8720 17656.0391 0.0000 0.0000 34215.6246 -149237.2922 298.8136 -183452.9168 -149135.5934 299.1493 -143.6193 -115.8574 557969.3091 -3.1906 -3.1059 PRESSURE: 4661600 110.484 292.432 120.137 292.432 142.085 -33.2548 120.137 -33.2541 96.3783 GPRESSURE: 4661600 138.483 265.175 -9.6986 290.153 187.183 7.05884 108.179 -63.5756 124.784 PRESSAVG: 4661600 -27.6751 32.7388 0.482154 32.7388 -16.3383 -9.88998 0.482197 -9.8899 63.0502 GPRESSAVG: 4661600 -27.1048 32.2522 -0.732766 34.9675 -16.5449 -9.23559 -0.137336 -10.1964 62.7253 TIMING: 4661600 CPU: 13839.4, 0.00296496/step Wall: 13839.4, 0.00296496/step, 0.278706 hours remaining, 208.039062 MB of memory in use. ENERGY: 4661600 739.4725 2049.0377 1924.6425 119.7499 -206100.9643 17769.0729 0.0000 0.0000 34224.1478 -149274.8409 298.8880 -183498.9888 -149171.4355 299.1709 116.3157 150.1504 556041.8038 6.3456 6.3585 PRESSURE: 4661800 459.828 -9.13902 27.2148 -9.13856 126.808 89.2546 27.215 89.2555 -25.8583 GPRESSURE: 4661800 464.723 -16.254 32.5283 12.8983 152.857 37.8662 16.7396 31.9487 49.8766 PRESSAVG: 4661800 -9.56142 -3.57048 -48.906 -3.57038 -12.3277 14.3408 -48.906 14.3408 22.1553 GPRESSAVG: 4661800 -10.6348 -2.13787 -48.8422 -5.91351 -11.8771 12.7275 -48.6987 13.8591 22.4393 TIMING: 4661800 CPU: 13839.9, 0.00296388/step Wall: 13839.9, 0.00296388/step, 0.27844 hours remaining, 208.039062 MB of memory in use. ENERGY: 4661800 738.5694 2035.7154 1919.0601 122.5219 -206300.8714 17945.8345 0.0000 0.0000 34136.5251 -149402.6449 298.1228 -183539.1700 -149301.4995 299.4578 186.9258 222.4853 554304.8046 0.0887 -0.0242 PRESSURE: 4662000 -214.487 -38.3194 56.2459 -38.3196 66.6519 -32.5051 56.2463 -32.5062 11.4918 GPRESSURE: 4662000 -189.464 17.8577 39.7539 -72.9071 115.937 32.4447 86.5502 -78.044 30.0862 PRESSAVG: 4662000 26.0931 -56.8232 -46.5322 -56.8232 4.0062 -1.20903 -46.5323 -1.2089 -33.7926 GPRESSAVG: 4662000 26.8583 -56.7132 -46.4065 -57.2762 3.48477 2.39583 -47.8962 -0.314656 -34.1235 TIMING: 4662000 CPU: 13840.5, 0.00299152/step Wall: 13840.5, 0.00299152/step, 0.28087 hours remaining, 208.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4662000 772.1489 2108.7876 1930.1490 115.9907 -206369.5697 17739.0138 0.0000 0.0000 34270.1673 -149433.3125 299.2899 -183703.4798 -149334.8758 298.0960 -45.4478 -14.4802 555821.9007 -1.2311 -1.2601 PRESSURE: 4662200 -218.034 102.843 61.9252 102.842 -68.774 114.762 61.9261 114.762 -32.3161 GPRESSURE: 4662200 -178.822 130.9 4.37137 105.339 17.6078 108.278 -13.9272 80.1006 -59.8667 PRESSAVG: 4662200 28.0961 17.2021 -1.9932 17.2021 7.20496 -36.0188 -1.99325 -36.0189 -37.7243 GPRESSAVG: 4662200 28.859 16.101 -1.0235 16.3186 7.40985 -38.1724 -0.239159 -37.3959 -38.4684 TIMING: 4662200 CPU: 13841.1, 0.00299637/step Wall: 13841.1, 0.00299637/step, 0.28116 hours remaining, 208.039062 MB of memory in use. ENERGY: 4662200 747.3288 2151.8249 1956.5622 113.1170 -206416.9785 17626.9868 0.0000 0.0000 34339.0146 -149482.1443 299.8912 -183821.1589 -149393.9572 298.1115 -106.3748 -73.6937 555635.0280 -0.8077 -0.7332 PRESSURE: 4662400 56.8664 36.9745 34.1524 36.9752 -92.4148 45.9562 34.1513 45.956 -109.062 GPRESSURE: 4662400 70.5943 58.3886 15.0634 23.7954 -29.6856 102.953 51.5204 52.4777 -80.7298 PRESSAVG: 4662400 22.257 18.2043 -18.737 18.2043 -59.8571 -47.3727 -18.737 -47.3726 15.154 GPRESSAVG: 4662400 20.4392 19.9715 -21.0614 18.75 -59.5418 -46.2559 -20.8068 -45.2556 16.2016 TIMING: 4662400 CPU: 13841.7, 0.00294299/step Wall: 13841.7, 0.00294299/step, 0.275987 hours remaining, 208.039062 MB of memory in use. ENERGY: 4662400 723.8889 2103.5999 1915.9327 103.3430 -206410.3531 17795.0589 0.0000 0.0000 34348.1676 -149420.3621 299.9711 -183768.5297 -149326.4854 299.4785 -48.2034 -13.2737 556745.4020 -7.4820 -7.6337 PRESSURE: 4662600 102.958 64.3462 -8.68592 64.3454 192.26 -42.7968 -8.68643 -42.7977 204.651 GPRESSURE: 4662600 115.425 72.323 50.9418 59.0059 238.314 -18.4981 -68.023 -75.381 237.331 PRESSAVG: 4662600 -4.12728 16.3804 53.6474 16.3804 19.6031 10.2501 53.6475 10.25 15.6095 GPRESSAVG: 4662600 -3.22802 14.2105 54.9295 18.8 19.088 8.86835 54.032 10.6947 15.1977 TIMING: 4662600 CPU: 13842.3, 0.00296971/step Wall: 13842.3, 0.00296971/step, 0.278328 hours remaining, 208.039062 MB of memory in use. ENERGY: 4662600 784.6437 2099.3268 1911.3443 119.0122 -206679.0481 18176.1617 0.0000 0.0000 34249.0628 -149339.4966 299.1056 -183588.5594 -149237.3616 298.8040 166.6229 197.0235 556572.7419 10.3618 10.3526 PRESSURE: 4662800 -247.462 70.9581 -100.763 70.9582 -192.553 -184.082 -100.764 -184.082 -294.93 GPRESSURE: 4662800 -229.063 9.48291 -81.0461 104.375 -125.633 -137.832 -118.482 -107.301 -280.991 PRESSAVG: 4662800 -17.5677 -21.0314 27.7355 -21.0314 13.5206 -5.48499 27.7356 -5.48493 11.2336 GPRESSAVG: 4662800 -17.1958 -21.075 26.054 -22.768 13.0664 -3.76734 29.2355 -7.04967 11.6792 TIMING: 4662800 CPU: 13842.9, 0.0029753/step Wall: 13842.9, 0.0029753/step, 0.278686 hours remaining, 208.039062 MB of memory in use. ENERGY: 4662800 729.5720 2154.2257 1923.8393 105.7895 -205885.1504 17482.5871 0.0000 0.0000 34095.3067 -149393.8302 297.7628 -183489.1369 -149295.6029 299.1460 -244.9818 -211.8958 557837.9780 2.3955 2.5166 PRESSURE: 4663000 241.887 143.448 -40.7689 143.447 203.316 51.4782 -40.7688 51.4776 173.258 GPRESSURE: 4663000 265.198 86.0473 -22.9208 129.244 261.494 34.9133 -83.5019 36.7897 196.171 PRESSAVG: 4663000 -2.64747 -34.6063 2.16151 -34.6064 -35.8738 -2.04398 2.1615 -2.044 20.1713 GPRESSAVG: 4663000 -2.97147 -34.1384 1.47543 -33.8132 -35.3452 -4.85844 1.61628 -1.21786 20.1813 TIMING: 4663000 CPU: 13843.5, 0.00296804/step Wall: 13843.5, 0.00296804/step, 0.277842 hours remaining, 208.039062 MB of memory in use. ENERGY: 4663000 731.4970 2122.4648 1947.1764 110.3101 -206232.2728 17989.2623 0.0000 0.0000 34104.8816 -149226.6805 297.8464 -183331.5621 -149133.1026 298.6528 206.1539 240.9544 556677.2257 -6.1167 -6.0451 PRESSURE: 4663200 -165.723 -37.7126 13.0755 -37.7113 -75.8023 202.474 13.0752 202.474 -229.492 GPRESSURE: 4663200 -122.816 -70.605 -14.5347 19.2944 -1.97462 216.836 -18.4479 226.309 -251.81 PRESSAVG: 4663200 -28.6159 3.02201 28.3877 3.02185 12.5701 52.5362 28.3877 52.5362 70.1291 GPRESSAVG: 4663200 -28.1538 2.05832 31.2403 2.81757 12.2911 55.0977 27.0196 51.4259 69.4214 TIMING: 4663200 CPU: 13844.1, 0.00293353/step Wall: 13844.1, 0.00293353/step, 0.274448 hours remaining, 208.039062 MB of memory in use. ENERGY: 4663200 776.3327 2101.8564 1919.5404 101.8577 -205964.5771 17579.0193 0.0000 0.0000 34038.4571 -149447.5134 297.2663 -183485.9706 -149355.3801 298.9343 -157.0058 -125.5336 557348.0435 18.0278 17.8529 PRESSURE: 4663400 -99.3169 103.482 28.1889 103.482 -177.656 -6.18726 28.1881 -6.18804 -3.66843 GPRESSURE: 4663400 -81.7778 122.075 -21.2027 37.8423 -118.125 30.1337 5.59342 -12.4689 8.66222 PRESSAVG: 4663400 -5.80102 -2.86831 83.4774 -2.86823 21.8178 48.9809 83.4775 48.9809 -5.51459 GPRESSAVG: 4663400 -7.24479 -1.48327 81.3364 -2.68967 22.507 49.0069 86.6156 49.2456 -4.97561 TIMING: 4663400 CPU: 13844.7, 0.00291929/step Wall: 13844.7, 0.00291929/step, 0.272954 hours remaining, 208.039062 MB of memory in use. ENERGY: 4663400 752.9329 2137.9771 1918.5538 129.5039 -206234.4123 17735.5187 0.0000 0.0000 34193.4221 -149366.5038 298.6197 -183559.9259 -149262.7435 298.4156 -93.5470 -63.7468 557745.9125 3.5007 3.4289 PRESSURE: 4663600 167.539 -2.2558 64.1093 -2.25649 -196.951 -175.911 64.1103 -175.911 195.583 GPRESSURE: 4663600 146.614 -62.3144 -41.4913 67.7431 -76.7105 -179.177 102.21 -140.827 191.174 PRESSAVG: 4663600 -41.7179 19.4724 53.7353 19.4724 30.3746 20.6025 53.7353 20.6025 10.9376 GPRESSAVG: 4663600 -40.7895 21.8236 55.0022 19.8623 29.959 20.5218 52.2429 22.4002 10.3921 TIMING: 4663600 CPU: 13845.3, 0.00292278/step Wall: 13845.3, 0.00292278/step, 0.273118 hours remaining, 208.039062 MB of memory in use. ENERGY: 4663600 704.7961 2107.5311 1903.8937 106.4392 -206431.1032 17869.0439 0.0000 0.0000 34177.2494 -149562.1499 298.4784 -183739.3993 -149459.1803 298.2488 55.3904 87.0260 556710.0553 -0.1352 -0.1461 PRESSURE: 4663800 12.3076 -108.745 17.4941 -108.745 -4.24935 -20.9019 17.4937 -20.9025 43.3804 GPRESSURE: 4663800 49.752 -154.398 73.582 19.9827 41.3244 -16.8027 19.0965 -21.2285 39.7586 PRESSAVG: 4663800 -7.77307 -5.09177 -13.4477 -5.0917 30.1889 -27.486 -13.4478 -27.486 -8.87348 GPRESSAVG: 4663800 -8.30078 -7.75288 -14.7399 -4.38606 30.3893 -28.2187 -13.0495 -27.3538 -8.92103 TIMING: 4663800 CPU: 13845.9, 0.0029208/step Wall: 13845.9, 0.0029208/step, 0.27277 hours remaining, 208.039062 MB of memory in use. ENERGY: 4663800 695.3429 2076.5143 1932.7958 117.4541 -206253.3439 17781.9640 0.0000 0.0000 34159.8212 -149489.4516 298.3262 -183649.2728 -149396.2054 298.2727 17.1462 43.6117 556290.5708 4.5141 4.3892 PRESSURE: 4664000 0.815571 -60.8303 103.754 -60.8306 -57.0497 -57.9087 103.754 -57.91 59.0106 GPRESSURE: 4664000 61.0929 -59.1 69.4994 -113.625 -8.04256 1.47618 83.1566 -127.813 47.1167 PRESSAVG: 4664000 35.2967 9.15721 27.8835 9.15721 39.0544 -30.0377 27.8835 -30.0376 -63.414 GPRESSAVG: 4664000 34.5459 8.61614 28.4912 8.95302 38.9693 -32.2333 27.379 -31.4884 -63.1077 TIMING: 4664000 CPU: 13846.4, 0.00294164/step Wall: 13846.4, 0.00294164/step, 0.274553 hours remaining, 208.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4664000 727.2744 2103.5545 1929.1538 107.8702 -206259.2901 17722.6634 0.0000 0.0000 34259.8568 -149408.9171 299.1999 -183668.7738 -149318.0628 298.6435 0.9255 33.3890 557199.5592 3.6457 3.4692 PRESSURE: 4664200 136.176 49.1548 24.1439 49.1536 27.8173 -21.9194 24.1442 -21.9196 -51.6912 GPRESSURE: 4664200 119.747 42.8224 -35.0325 90.8121 83.9663 7.1869 91.2543 -63.3096 13.4606 PRESSAVG: 4664200 -7.11184 -7.76646 24.053 -7.76644 -0.880838 -8.85815 24.0531 -8.85833 -5.51414 GPRESSAVG: 4664200 -5.57611 -6.71814 25.2785 -7.74635 -1.63924 -5.76942 23.5715 -8.70185 -5.7697 TIMING: 4664200 CPU: 13847, 0.00292935/step Wall: 13847, 0.00292935/step, 0.273243 hours remaining, 208.039062 MB of memory in use. ENERGY: 4664200 745.5742 2054.2356 1959.5354 109.2337 -206523.0772 17992.0784 0.0000 0.0000 34179.4042 -149483.0157 298.4972 -183662.4199 -149391.9220 298.7049 37.4342 72.3911 555472.3624 -4.5023 -4.3283 LDB: ============= START OF LOAD BALANCING ============== 13850.6 LDB: ============== END OF LOAD BALANCING =============== 13850.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13850.6 LDB: ============= START OF LOAD BALANCING ============== 13850.9 LDB: Largest compute 4801 load 0.022221 is 18.8% of average load 0.118236 LDB: Average compute 0.001733 is 1.5% of average load 0.118236 LDB: TIME 13850.9 LOAD: AVG 0.118236 MAX 0.196872 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.344 MB LDB: TIME 13850.9 LOAD: AVG 0.118236 MAX 0.196872 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.547 MB LDB: TIME 13850.9 LOAD: AVG 0.118236 MAX 0.196872 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.547 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13850.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13850.9 PRESSURE: 4664400 38.1177 64.0815 -89.1171 64.0825 -110.878 82.3954 -89.1168 82.3946 177.543 GPRESSURE: 4664400 52.4148 91.7847 -65.5973 6.0453 -19.5556 159.476 -50.4752 54.2792 173.848 PRESSAVG: 4664400 -17.2509 24.0365 -11.7699 24.0364 46.4253 -14.7357 -11.7698 -14.7357 2.91249 GPRESSAVG: 4664400 -17.6088 22.3935 -12.6106 23.2783 46.9569 -16.1971 -11.7133 -13.728 2.71318 TIMING: 4664400 CPU: 13847.6, 0.00298338/step Wall: 13847.6, 0.00298338/step, 0.278117 hours remaining, 209.699219 MB of memory in use. ENERGY: 4664400 767.7455 2104.6046 1939.3279 121.9127 -206174.1732 17719.3510 0.0000 0.0000 34111.8225 -149409.4089 297.9070 -183521.2314 -149314.9129 299.2610 34.9277 68.9026 556158.5777 10.6956 10.6871 PRESSURE: 4664600 137.303 16.3722 119.972 16.372 182.984 190.36 119.974 190.362 -97.5455 GPRESSURE: 4664600 212.408 -18.657 155.355 113.369 169.688 277.935 95.1552 214.094 -68.7402 PRESSAVG: 4664600 -45.8425 -24.1641 -33.5264 -24.164 1.67344 -5.89427 -33.5265 -5.8943 36.2012 GPRESSAVG: 4664600 -46.4821 -24.0382 -33.2905 -20.9515 1.5692 -6.38382 -33.2227 -6.75693 37.4478 TIMING: 4664600 CPU: 13848.2, 0.00293362/step Wall: 13848.2, 0.00293362/step, 0.273316 hours remaining, 209.699219 MB of memory in use. ENERGY: 4664600 773.3890 2081.5796 1930.9803 113.3148 -206651.6181 18061.2253 0.0000 0.0000 34381.0642 -149310.0649 300.2584 -183691.1291 -149212.1295 298.8052 74.2471 104.4519 556400.5132 -2.6560 -2.4884 PRESSURE: 4664800 7.68623 -5.80997 129.875 -5.80958 147.329 -81.3721 129.876 -81.372 63.3294 GPRESSURE: 4664800 26.8634 -42.2823 82.9631 53.9054 156.704 -76.2027 179.316 -57.7744 138.315 PRESSAVG: 4664800 -10.3432 -22.2127 7.94584 -22.2128 -7.93715 -5.02283 7.94578 -5.02288 46.2757 GPRESSAVG: 4664800 -9.22489 -20.0497 8.96526 -24.5539 -8.13708 -3.41849 7.35912 -3.70844 45.7035 TIMING: 4664800 CPU: 13848.8, 0.00292803/step Wall: 13848.8, 0.00292803/step, 0.272632 hours remaining, 209.699219 MB of memory in use. ENERGY: 4664800 743.6925 2040.4347 1956.0956 119.2251 -206609.3682 17961.1597 0.0000 0.0000 34422.4475 -149366.3132 300.6198 -183788.7607 -149273.5321 299.3863 72.7816 107.2941 555049.4325 9.3318 9.4472 PRESSURE: 4665000 36.9837 75.497 100.987 75.4975 -220.437 -41.4703 100.987 -41.4704 -64.9025 GPRESSURE: 4665000 -12.387 84.6773 66.1112 117.876 -124.281 -108.451 164.617 -74.2075 -5.96725 PRESSAVG: 4665000 -43.2648 22.8892 28.1255 22.8892 45.9142 -49.0818 28.1255 -49.0817 19.6539 GPRESSAVG: 4665000 -43.3607 21.0857 28.0271 22.998 45.9799 -51.3572 28.2262 -49.0379 20.0144 TIMING: 4665000 CPU: 13849.4, 0.00291829/step Wall: 13849.4, 0.00291829/step, 0.271563 hours remaining, 209.699219 MB of memory in use. ENERGY: 4665000 752.5319 2092.2551 1962.5724 116.1323 -206186.5144 17537.8724 0.0000 0.0000 34418.0115 -149307.1389 300.5811 -183725.1503 -149217.1682 298.9799 -82.7851 -47.5451 556178.8963 7.4344 7.5445 PRESSURE: 4665200 -120.63 52.0501 43.729 52.05 20.2 -64.4898 43.729 -64.4894 77.6373 GPRESSURE: 4665200 -69.2545 118.179 54.9139 -8.91942 29.7528 -18.3792 16.3284 -69.8434 119.722 PRESSAVG: 4665200 -6.66784 -36.702 5.51151 -36.702 -14.5461 -7.17754 5.51152 -7.17741 28.8988 GPRESSAVG: 4665200 -5.21421 -34.618 4.15213 -38.4202 -15.2475 -6.71249 5.77688 -7.5985 28.2912 TIMING: 4665200 CPU: 13850, 0.00292206/step Wall: 13850, 0.00292206/step, 0.271752 hours remaining, 209.699219 MB of memory in use. ENERGY: 4665200 749.4907 2068.4923 1949.8979 122.0528 -206480.1756 18033.2960 0.0000 0.0000 34323.9475 -149232.9983 299.7596 -183556.9458 -149127.9186 298.8353 -7.5976 26.7401 558185.3485 2.5616 2.6098 PRESSURE: 4665400 -35.2803 -0.489373 -7.81848 -0.489974 93.7406 -3.52553 -7.81715 -3.52526 -28.2139 GPRESSURE: 4665400 -9.88345 67.2761 -81.739 10.2608 118.566 9.94325 9.70293 -17.0384 19.7713 PRESSAVG: 4665400 -31.7089 -5.73354 28.006 -5.73347 32.0816 -60.148 28.006 -60.148 15.9613 GPRESSAVG: 4665400 -32.2689 -6.7354 27.4505 -3.50794 31.9379 -59.8155 26.93 -62.5144 16.3407 TIMING: 4665400 CPU: 13850.5, 0.00292107/step Wall: 13850.5, 0.00292107/step, 0.271497 hours remaining, 209.699219 MB of memory in use. ENERGY: 4665400 755.3191 2060.1198 1932.9973 113.3416 -206303.2124 18002.6421 0.0000 0.0000 34093.7000 -149345.0925 297.7488 -183438.7925 -149250.1665 298.9260 10.0821 42.8179 558605.9986 5.4446 5.3365 PRESSURE: 4665600 142.56 49.8935 326.759 49.8938 -3.64028 84.8261 326.759 84.8262 -33.4774 GPRESSURE: 4665600 166.142 63.9165 257.686 33.8568 23.8637 16.9427 345.177 57.711 8.53282 PRESSAVG: 4665600 6.78521 6.4149 20.4796 6.41483 -11.1718 -9.726 20.4796 -9.72598 13.8919 GPRESSAVG: 4665600 5.87836 8.24585 19.7428 4.42447 -9.98255 -8.65197 21.9785 -8.81176 13.6335 TIMING: 4665600 CPU: 13851.1, 0.00296757/step Wall: 13851.1, 0.00296757/step, 0.275655 hours remaining, 209.957031 MB of memory in use. ENERGY: 4665600 762.3069 2111.8353 1960.8967 100.9672 -206289.3926 17852.3058 0.0000 0.0000 34040.5538 -149460.5270 297.2846 -183501.0808 -149369.8915 298.1507 35.1476 66.1794 556440.2043 3.1684 3.1764 PRESSURE: 4665800 -203.555 -92.1503 96.772 -92.1498 74.0587 -209.767 96.7718 -209.769 -145.845 GPRESSURE: 4665800 -198.053 -87.6213 66.8083 -63.5223 93.3068 -183.553 53.9917 -322.95 -71.9816 PRESSAVG: 4665800 -54.1386 0.461348 -4.01363 0.461306 22.6621 15.6624 -4.01371 15.6623 44.5978 GPRESSAVG: 4665800 -52.5717 -0.392759 -1.69815 1.30943 21.8196 17.8995 -4.10757 17.0964 43.8586 TIMING: 4665800 CPU: 13851.7, 0.00296723/step Wall: 13851.7, 0.00296723/step, 0.275458 hours remaining, 209.957031 MB of memory in use. ENERGY: 4665800 730.6712 2094.6780 1945.3201 125.4081 -206553.8350 17790.5229 0.0000 0.0000 34438.6627 -149428.5719 300.7614 -183867.2347 -149335.0662 298.6178 -91.7802 -58.9093 556943.6793 4.3738 4.3688 PRESSURE: 4666000 -131.985 89.0962 139.739 89.0968 3.15569 59.816 139.74 59.8162 -142.452 GPRESSURE: 4666000 -111.428 67.834 121.267 77.1673 17.441 108.812 172.534 23.3149 -76.5066 PRESSAVG: 4666000 -67.9571 3.04673 22.8272 3.04679 -14.0288 -13.846 22.8273 -13.846 102.662 GPRESSAVG: 4666000 -68.4379 2.99143 21.786 2.2036 -14.4446 -15.8644 24.0053 -13.3134 103.269 TIMING: 4666000 CPU: 13852.3, 0.00293178/step Wall: 13852.3, 0.00293178/step, 0.272004 hours remaining, 209.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4666000 749.8512 2087.7580 1905.7276 124.3730 -206368.0627 17955.3698 0.0000 0.0000 34168.2471 -149376.7359 298.3998 -183544.9831 -149285.3613 298.7041 -90.4271 -56.8312 555991.2100 6.8919 6.7955 PRESSURE: 4666200 -124.933 63.6732 -18.2591 63.6733 107.985 16.7634 -18.26 16.7632 -56.0554 GPRESSURE: 4666200 -65.1546 53.3158 -159.278 13.9148 84.5622 2.5881 66.8202 53.4764 -7.58308 PRESSAVG: 4666200 -8.713 48.9803 -27.3588 48.9804 58.5147 -17.5356 -27.3589 -17.5355 24.7175 GPRESSAVG: 4666200 -9.90701 47.9172 -25.9396 50.145 59.515 -17.3312 -28.8887 -18.0864 25.352 TIMING: 4666200 CPU: 13852.9, 0.00294081/step Wall: 13852.9, 0.00294081/step, 0.272678 hours remaining, 209.957031 MB of memory in use. ENERGY: 4666200 740.0278 2123.9960 1949.8962 116.0189 -205780.7476 17544.5146 0.0000 0.0000 34071.4660 -149234.8279 297.5546 -183306.2939 -149150.2738 298.9998 -24.3345 3.9415 557132.4603 24.8397 24.9866 PRESSURE: 4666400 135.023 -97.6618 -91.9797 -97.6629 -203.761 -72.3601 -91.9784 -72.3603 -189.079 GPRESSURE: 4666400 140.007 -79.1679 -95.9122 -101.423 -162.328 -10.6311 -29.1007 -77.7206 -133.941 PRESSAVG: 4666400 72.9478 19.3572 26.8343 19.3572 -74.0843 41.2513 26.8343 41.2513 11.5181 GPRESSAVG: 4666400 73.7776 20.449 28.3578 17.6517 -73.5221 41.4467 26.2257 39.7779 10.8192 TIMING: 4666400 CPU: 13853.5, 0.00293966/step Wall: 13853.5, 0.00293966/step, 0.272409 hours remaining, 209.957031 MB of memory in use. ENERGY: 4666400 733.8233 2081.9976 1950.8926 108.7418 -206171.5447 17705.4149 0.0000 0.0000 34435.6183 -149155.0563 300.7348 -183590.6746 -149055.4458 299.2129 -85.9390 -52.0875 558426.0264 3.4605 3.6916 PRESSURE: 4666600 -132.034 -164.725 11.4408 -164.725 -327.785 -35.6395 11.441 -35.6387 -335.552 GPRESSURE: 4666600 -81.5194 -116.891 19.078 -195.747 -299.04 -138.289 -23.7081 -12.3538 -327.402 PRESSAVG: 4666600 32.7849 -18.2615 -2.25639 -18.2614 -13.6524 11.2362 -2.25636 11.2363 -11.5058 GPRESSAVG: 4666600 33.1638 -19.1021 -3.8836 -16.9832 -13.884 11.3677 -0.182369 12.1212 -12.0948 TIMING: 4666600 CPU: 13854.1, 0.00294587/step Wall: 13854.1, 0.00294587/step, 0.27282 hours remaining, 209.957031 MB of memory in use. ENERGY: 4666600 739.1656 2073.1089 1935.4531 116.2991 -205842.2428 17545.6652 0.0000 0.0000 34192.7971 -149239.7537 298.6142 -183432.5508 -149139.0192 299.8157 -265.1237 -235.9870 558636.1106 2.5422 2.3950 PRESSURE: 4666800 -117.882 -137.377 -12.4472 -137.377 22.5271 11.9223 -12.4471 11.9231 -39.7582 GPRESSURE: 4666800 -85.9633 -47.5104 25.3106 -222.133 82.0444 23.1052 -18.7686 25.9063 -30.3911 PRESSAVG: 4666800 -62.9217 -26.6159 2.326 -26.6158 11.5347 -3.82155 2.32601 -3.82143 51.3784 GPRESSAVG: 4666800 -62.9333 -27.2737 2.07979 -25.0822 11.3839 -5.39686 1.59528 -3.19941 51.8375 TIMING: 4666800 CPU: 13854.7, 0.00296084/step Wall: 13854.7, 0.00296084/step, 0.274043 hours remaining, 209.957031 MB of memory in use. ENERGY: 4666800 731.4802 2098.6316 1937.8251 127.4690 -205837.6369 17568.5756 0.0000 0.0000 34074.0968 -149299.5586 297.5776 -183373.6554 -149203.0460 299.3345 -45.0377 -11.4367 556926.9980 -0.0028 0.0960 PRESSURE: 4667000 -55.7014 -31.0009 -61.2256 -31.0011 -96.0181 -24.4842 -61.2251 -24.483 -109.33 GPRESSURE: 4667000 -73.7878 -67.0898 -67.3492 -15.6045 -44.9139 -95.3581 -8.1469 40.7065 -38.048 PRESSAVG: 4667000 -12.1747 10.3222 -7.34147 10.3224 -2.26548 21.2992 -7.34145 21.2992 -6.04205 GPRESSAVG: 4667000 -13.0403 10.2335 -6.29014 12.2678 -3.10706 24.0901 -8.60583 19.2889 -4.00528 TIMING: 4667000 CPU: 13855.3, 0.00295553/step Wall: 13855.3, 0.00295553/step, 0.273387 hours remaining, 209.957031 MB of memory in use. ENERGY: 4667000 743.1195 2085.3611 1929.8976 108.9150 -206252.9778 17848.4993 0.0000 0.0000 34160.8546 -149376.3306 298.3352 -183537.1852 -149285.4260 298.8863 -87.0164 -52.2499 557604.1629 -6.8274 -6.7176 PRESSURE: 4667200 67.8996 16.5252 -98.2278 16.5251 266.705 -42.2027 -98.2283 -42.2026 203.853 GPRESSURE: 4667200 105.779 24.4193 -154.289 -1.73841 264.476 32.9036 -28.7706 -69.281 262.16 PRESSAVG: 4667200 8.75825 8.12546 -6.8039 8.12555 -73.7905 -42.9217 -6.80391 -42.9217 70.2024 GPRESSAVG: 4667200 8.66063 7.4185 -8.82254 6.82716 -73.9316 -43.3914 -7.66484 -41.6114 70.2255 TIMING: 4667200 CPU: 13855.9, 0.00293748/step Wall: 13855.9, 0.00293748/step, 0.271554 hours remaining, 209.957031 MB of memory in use. ENERGY: 4667200 734.5181 2070.6359 1908.4724 120.7760 -206705.5925 18213.9188 0.0000 0.0000 34204.1305 -149453.1407 298.7132 -183657.2713 -149354.6905 298.2895 179.4857 210.8050 557422.5173 1.7234 1.6515 PRESSURE: 4667400 -77.9923 -146.172 44.1627 -146.171 -78.8712 -73.1989 44.162 -73.1988 -151.557 GPRESSURE: 4667400 0.385893 -147.011 -32.8948 -88.6077 -75.6319 -31.8756 95.3218 -84.8336 -142.871 PRESSAVG: 4667400 -41.4982 27.8664 -5.39585 27.8664 -6.47561 -31.2425 -5.39588 -31.2426 45.2827 GPRESSAVG: 4667400 -41.2697 28.4514 -5.40663 26.3234 -5.47362 -31.1043 -3.58146 -31.0638 43.8846 TIMING: 4667400 CPU: 13856.5, 0.00296026/step Wall: 13856.5, 0.00296026/step, 0.273495 hours remaining, 209.957031 MB of memory in use. ENERGY: 4667400 780.3307 2070.5379 1960.4364 114.6139 -206122.8211 17748.1830 0.0000 0.0000 33976.1211 -149472.5980 296.7219 -183448.7191 -149386.7977 298.3607 -102.8069 -72.7056 559306.9671 -0.8970 -0.9529 PRESSURE: 4667600 -177.732 166.249 -80.5811 166.249 -119.609 62.961 -80.5813 62.9612 -108.645 GPRESSURE: 4667600 -118.918 191.931 -169.576 110.209 -67.5456 54.6354 -26.6898 77.1945 -117.479 PRESSAVG: 4667600 1.71396 -62.4362 -12.8829 -62.4362 -17.8047 17.8714 -12.8829 17.8716 19.2237 GPRESSAVG: 4667600 2.0955 -62.143 -12.9992 -61.6099 -18.1492 17.7422 -11.802 18.5172 19.1004 TIMING: 4667600 CPU: 13857, 0.00294832/step Wall: 13857, 0.00294832/step, 0.272228 hours remaining, 209.957031 MB of memory in use. ENERGY: 4667600 736.7602 2083.0636 1940.1452 125.5740 -206138.6281 17797.3016 0.0000 0.0000 34082.0073 -149373.7762 297.6466 -183455.7835 -149278.3731 298.3438 -135.3289 -101.3141 559441.1345 1.0443 1.0156 PRESSURE: 4667800 -40.0482 18.0488 -12.4548 18.0498 -142.519 14.7462 -12.4548 14.7475 -63.5563 GPRESSURE: 4667800 -68.8095 26.7329 8.02064 20.6874 -122.729 -2.6758 -37.255 -83.3818 35.8587 PRESSAVG: 4667800 5.97859 29.7711 -2.59525 29.771 22.4884 -12.3754 -2.59525 -12.3752 26.9166 GPRESSAVG: 4667800 5.92125 28.3171 -2.13647 30.6955 21.6355 -14.1069 -4.39331 -12.6593 28.1629 TIMING: 4667800 CPU: 13857.6, 0.00294629/step Wall: 13857.6, 0.00294629/step, 0.271877 hours remaining, 209.957031 MB of memory in use. ENERGY: 4667800 773.3832 2107.1592 1933.8463 122.4768 -206570.2366 17899.9188 0.0000 0.0000 34488.5145 -149244.9379 301.1968 -183733.4524 -149137.3316 299.1223 -82.0410 -51.8932 558776.8778 18.4612 18.5732 PRESSURE: 4668000 88.759 152.726 -51.0241 152.727 -116.45 130.631 -51.0228 130.63 -63.9562 GPRESSURE: 4668000 66.0336 141.303 -23.4539 147.633 -59.2952 80.9713 -79.7396 125.401 -7.7792 PRESSAVG: 4668000 -26.2146 0.633404 -41.1313 0.63332 -35.4983 12.5092 -41.1313 12.5093 27.6157 GPRESSAVG: 4668000 -28.1246 1.26406 -40.627 0.178928 -34.5019 11.6898 -40.2256 10.9862 28.26 TIMING: 4668000 CPU: 13858.2, 0.00295498/step Wall: 13858.2, 0.00295498/step, 0.272515 hours remaining, 209.957031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4668000 753.6606 2068.7009 1934.3577 108.3367 -206191.4036 17888.9213 0.0000 0.0000 34107.6618 -149329.7645 297.8707 -183437.4264 -149231.4855 299.4057 -30.5491 -0.3469 558847.6007 -11.3657 -11.4555 PRESSURE: 4668200 -247.196 200.038 58.2646 200.038 -241.066 113.274 58.2651 113.275 -13.7506 GPRESSURE: 4668200 -224.02 164.521 146.074 195.022 -219.424 35.5728 81.8318 118.882 27.004 PRESSAVG: 4668200 -10.1391 22.7927 -0.667309 22.7928 24.0045 6.68981 -0.667309 6.68981 13.274 GPRESSAVG: 4668200 -8.67113 24.1872 1.11098 21.1264 23.9007 7.47839 -1.90019 8.86423 11.909 TIMING: 4668200 CPU: 13858.8, 0.00293382/step Wall: 13858.8, 0.00293382/step, 0.2704 hours remaining, 209.957031 MB of memory in use. ENERGY: 4668200 795.0260 2074.9713 1920.8953 110.9914 -205763.5601 17572.2262 0.0000 0.0000 33989.8241 -149299.6258 296.8416 -183289.4499 -149202.8843 299.3868 -167.3375 -138.8136 558414.9803 9.0465 9.0462 LDB: ============= START OF LOAD BALANCING ============== 13862.3 LDB: ============== END OF LOAD BALANCING =============== 13862.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13862.4 LDB: ============= START OF LOAD BALANCING ============== 13862.6 LDB: Largest compute 4801 load 0.022243 is 18.8% of average load 0.118226 LDB: Average compute 0.001735 is 1.5% of average load 0.118226 LDB: TIME 13862.6 LOAD: AVG 0.118226 MAX 0.195046 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.219 MB LDB: TIME 13862.6 LOAD: AVG 0.118226 MAX 0.195046 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.285 MB LDB: TIME 13862.6 LOAD: AVG 0.118226 MAX 0.195046 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.285 MB LDB: ============== END OF LOAD BALANCING =============== 13862.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13862.7 PRESSURE: 4668400 93.4101 82.0208 86.5197 82.0197 85.4545 83.6225 86.521 83.6219 34.742 GPRESSURE: 4668400 51.2446 50.1672 63.1122 47.459 100.04 44.6677 88.9864 105.176 163.326 PRESSAVG: 4668400 -6.30909 20.6006 7.77313 20.6006 -12.1283 10.873 7.77309 10.8729 9.98766 GPRESSAVG: 4668400 -4.87412 20.2676 6.79782 22.2111 -13.1998 11.676 9.86773 8.4474 9.71882 TIMING: 4668400 CPU: 13859.4, 0.0029777/step Wall: 13859.4, 0.0029777/step, 0.274279 hours remaining, 209.121094 MB of memory in use. ENERGY: 4668400 747.4622 2049.4280 1944.6796 113.6548 -206404.4139 18052.3611 0.0000 0.0000 34305.4169 -149191.4113 299.5977 -183496.8282 -149098.6952 299.2675 71.2022 104.8701 557498.0993 -2.8166 -2.7850 PRESSURE: 4668600 -68.4427 -260.032 32.1157 -260.033 -17.0652 -194.875 32.1143 -194.876 -196.686 GPRESSURE: 4668600 -30.3631 -173.172 8.61092 -286.21 -0.385332 -205.301 31.6385 -176.175 -166.94 PRESSAVG: 4668600 -0.731636 1.7174 -29.6426 1.71731 24.5078 -55.1488 -29.6427 -55.1488 -15.1936 GPRESSAVG: 4668600 -2.18239 2.75869 -31.507 1.11841 26.2632 -55.367 -29.0629 -54.6389 -15.0677 TIMING: 4668600 CPU: 13860, 0.00292118/step Wall: 13860, 0.00292118/step, 0.268911 hours remaining, 209.121094 MB of memory in use. ENERGY: 4668600 751.5350 2072.3863 1962.9136 104.8988 -206305.4583 17612.9148 0.0000 0.0000 34573.0913 -149227.7186 301.9354 -183800.8098 -149136.7388 299.3421 -94.0646 -65.8962 557763.8373 2.8609 3.0044 PRESSURE: 4668800 19.5555 27.9441 -211.162 27.9432 131.698 -11.9769 -211.162 -11.9768 -131.717 GPRESSURE: 4668800 74.6401 -8.65827 -242.993 27.3382 137.165 -74.9932 -241.397 -36.0485 -102.179 PRESSAVG: 4668800 -5.82058 -23.6196 -26.3321 -23.6197 55.7377 -45.5344 -26.3321 -45.5344 -33.4735 GPRESSAVG: 4668800 -5.49958 -24.0956 -23.8357 -25.6165 55.4257 -46.5399 -29.3351 -42.6657 -32.9996 TIMING: 4668800 CPU: 13860.6, 0.00292788/step Wall: 13860.6, 0.00292788/step, 0.269365 hours remaining, 209.121094 MB of memory in use. ENERGY: 4668800 702.9882 2117.3951 1929.3981 119.2684 -206476.4882 17764.6522 0.0000 0.0000 34348.5381 -149494.2479 299.9743 -183842.7860 -149398.9877 299.9674 6.5122 36.5418 556817.8087 5.4812 5.6421 PRESSURE: 4669000 -48.5974 55.4657 -67.0154 55.4663 38.5182 33.9171 -67.0142 33.9189 89.1609 GPRESSURE: 4669000 -11.1308 -11.4568 -110.26 76.777 156.107 0.448039 -13.6601 16.6667 24.2407 PRESSAVG: 4669000 -70.8528 1.6527 -10.0207 1.65268 13.6885 -41.9928 -10.0207 -41.9927 56.0808 GPRESSAVG: 4669000 -69.8492 0.52907 -10.0648 3.74403 13.8339 -37.4221 -7.86219 -46.4783 55.1879 TIMING: 4669000 CPU: 13861.2, 0.00292786/step Wall: 13861.2, 0.00292786/step, 0.269201 hours remaining, 209.121094 MB of memory in use. ENERGY: 4669000 715.0536 2031.1134 1917.7099 117.5895 -205925.5932 17593.0398 0.0000 0.0000 34238.4059 -149312.6811 299.0125 -183551.0870 -149219.6232 298.9575 26.3606 56.4056 557189.7759 -0.3612 -0.2758 PRESSURE: 4669200 26.172 -94.6835 -208.293 -94.6817 -278.204 74.8015 -208.295 74.8006 -145.03 GPRESSURE: 4669200 70.0833 -107.372 -250.132 -122.87 -231.209 43.5155 -122.12 36.1272 -159.299 PRESSAVG: 4669200 8.87961 -11.7923 -71.2005 -11.7922 19.81 -36.2276 -71.2004 -36.2277 7.24875 GPRESSAVG: 4669200 8.7879 -11.5965 -72.0582 -11.8644 19.0808 -39.3389 -71.6558 -35.0418 7.47725 TIMING: 4669200 CPU: 13861.7, 0.00293418/step Wall: 13861.7, 0.00293418/step, 0.269618 hours remaining, 209.121094 MB of memory in use. ENERGY: 4669200 725.4495 2068.2851 1939.8002 110.6375 -205669.9603 17447.4504 0.0000 0.0000 34161.7622 -149216.5754 298.3432 -183378.3376 -149119.8260 299.1042 -132.3540 -106.8084 556899.4501 11.9795 11.7820 PRESSURE: 4669400 -643.383 90.6549 -76.9697 90.654 -217.838 -44.8822 -76.9706 -44.8825 -311.58 GPRESSURE: 4669400 -577.365 62.2814 3.01124 125.286 -223.841 -108.531 -111.125 20.6116 -272.758 PRESSAVG: 4669400 -64.2469 -12.5379 -51.0256 -12.5379 26.8351 55.4701 -51.0257 55.47 6.31178 GPRESSAVG: 4669400 -64.31 -12.878 -51.3802 -11.8673 26.771 55.1562 -50.5113 57.8343 6.49742 TIMING: 4669400 CPU: 13862.3, 0.00294471/step Wall: 13862.3, 0.00294471/step, 0.270422 hours remaining, 209.121094 MB of memory in use. ENERGY: 4669400 773.7409 2087.4031 1922.3123 107.4761 -205343.5367 17108.2960 0.0000 0.0000 34135.6865 -149208.6219 298.1154 -183344.3083 -149109.9198 298.9972 -390.9337 -357.9879 556945.0258 -10.3667 -10.3472 PRESSURE: 4669600 -83.547 62.1301 -216.429 62.1303 16.2674 -50.3918 -216.428 -50.3923 12.8102 GPRESSURE: 4669600 -67.3001 -13.8513 -213.012 159.761 86.5122 -112.205 -155.745 6.23649 20.0785 PRESSAVG: 4669600 -7.98999 49.1378 -66.7372 49.138 27.937 35.2773 -66.7372 35.2773 -46.9852 GPRESSAVG: 4669600 -7.77761 50.416 -64.0036 47.2354 27.927 35.7534 -69.659 34.6369 -47.302 TIMING: 4669600 CPU: 13862.9, 0.00292825/step Wall: 13862.9, 0.00292825/step, 0.268748 hours remaining, 209.121094 MB of memory in use. ENERGY: 4669600 694.4175 2055.1557 1926.3016 109.8386 -206010.8475 17758.3163 0.0000 0.0000 34096.4418 -149370.3758 297.7727 -183466.8176 -149271.7695 298.7261 -18.1565 13.0969 558218.8835 -9.0127 -9.0509 PRESSURE: 4669800 -73.8187 70.3894 21.5007 70.3881 143.396 217.996 21.5015 217.996 123.528 GPRESSURE: 4669800 -13.0981 47.9135 101.439 62.1974 169.852 151.776 -43.1813 215.48 127.138 PRESSAVG: 4669800 -36.5111 -6.4237 -55.8345 -6.42376 66.0908 44.7681 -55.8344 44.7681 -18.3821 GPRESSAVG: 4669800 -36.1159 -7.03019 -57.906 -5.99907 66.4982 45.8825 -54.0125 44.8953 -19.1737 TIMING: 4669800 CPU: 13863.5, 0.00293671/step Wall: 13863.5, 0.00293671/step, 0.269362 hours remaining, 209.121094 MB of memory in use. ENERGY: 4669800 734.2027 2019.2626 1882.5474 109.6769 -206291.7151 17887.8987 0.0000 0.0000 34236.8498 -149421.2770 298.9989 -183658.1268 -149326.2139 298.5908 64.3685 94.6306 557458.2883 3.7325 3.7362 PRESSURE: 4670000 81.5754 119.484 -96.1204 119.485 16.1585 120.79 -96.1218 120.791 109.458 GPRESSURE: 4670000 174.363 55.6055 -87.4235 84.3056 52.5642 17.5228 -112.165 93.9785 90.0162 PRESSAVG: 4670000 -61.4924 41.9791 6.4176 41.9791 55.0932 37.5085 6.41758 37.5085 14.7285 GPRESSAVG: 4670000 -61.8083 39.9223 6.28448 44.0491 55.3693 36.1602 7.70337 37.3728 14.5068 TIMING: 4670000 CPU: 13864.1, 0.00294377/step Wall: 13864.1, 0.00294377/step, 0.269846 hours remaining, 209.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4670000 730.1582 2030.8237 1923.7331 108.4957 -206708.7591 17987.6180 0.0000 0.0000 34439.3380 -149488.5924 300.7673 -183927.9303 -149400.9774 298.5531 69.0638 105.6478 557751.9460 2.7764 2.6893 PRESSURE: 4670200 -81.3946 120.831 126.982 120.832 44.9441 22.8919 126.983 22.8908 30.4188 GPRESSURE: 4670200 -62.1987 130.073 100.024 227.336 87.2641 -26.1512 68.8172 88.1945 52.9125 PRESSAVG: 4670200 -9.82817 42.0812 17.3922 42.0812 36.9974 51.2264 17.3923 51.2265 -31.8047 GPRESSAVG: 4670200 -10.4972 43.9305 16.9171 41.1286 36.7579 50.5586 18.6507 50.5546 -30.8922 TIMING: 4670200 CPU: 13864.7, 0.00291741/step Wall: 13864.7, 0.00291741/step, 0.267267 hours remaining, 209.121094 MB of memory in use. ENERGY: 4670200 756.4151 2078.7854 1931.9262 107.2775 -206488.7166 17854.2161 0.0000 0.0000 34226.9291 -149533.1671 298.9123 -183760.0962 -149435.0150 298.8073 -2.0106 25.9926 558592.1944 -1.5451 -1.5438 PRESSURE: 4670400 -47.2708 -54.251 -44.496 -54.2511 -13.2875 2.70163 -44.4969 2.69955 -97.4014 GPRESSURE: 4670400 20.1792 -45.2278 17.1498 -65.6714 -11.1563 -8.59571 -33.0999 63.7596 -77.8771 PRESSAVG: 4670400 35.2196 51.9059 -11.425 51.9058 -23.1127 53.3375 -11.4251 53.3376 -10.4375 GPRESSAVG: 4670400 35.2174 51.9052 -10.8475 51.9794 -22.3407 53.4949 -13.8235 55.2535 -10.6271 TIMING: 4670400 CPU: 13865.3, 0.00292474/step Wall: 13865.3, 0.00292474/step, 0.267776 hours remaining, 209.121094 MB of memory in use. ENERGY: 4670400 732.3789 2057.0938 1928.2093 103.2331 -206280.6213 17801.9506 0.0000 0.0000 34016.9714 -149640.7842 297.0787 -183657.7556 -149545.9404 298.7200 -52.6532 -22.9514 557652.5440 0.5565 0.7499 PRESSURE: 4670600 94.8888 -100.186 42.3677 -100.185 172.417 -49.7488 42.3674 -49.7477 -105.885 GPRESSURE: 4670600 107.09 -191.286 47.3806 -14.6812 215.635 -18.0261 8.34605 54.9669 -56.8937 PRESSAVG: 4670600 -6.17568 -33.5354 -46.5212 -33.5355 -37.7548 4.01221 -46.5212 4.01221 27.7762 GPRESSAVG: 4670600 -6.86936 -33.1726 -47.4687 -32.6351 -37.4116 4.97132 -47.6971 2.97885 28.5297 TIMING: 4670600 CPU: 13865.8, 0.00291811/step Wall: 13865.8, 0.00291811/step, 0.267007 hours remaining, 209.121094 MB of memory in use. ENERGY: 4670600 723.5217 2121.4449 1914.6385 109.6664 -206822.9947 17941.5120 0.0000 0.0000 34434.6676 -149577.5437 300.7265 -184012.2113 -149482.4272 298.3157 53.8069 88.6105 556978.3085 -5.3848 -5.2504 PRESSURE: 4670800 -91.1639 110.307 -22.7554 110.306 -2.48853 97.7576 -22.7546 97.7572 261.147 GPRESSURE: 4670800 -28.7892 -3.84026 18.2147 102.331 -25.931 71.3848 -34.5356 54.3142 309.028 PRESSAVG: 4670800 -40.2672 53.4681 -38.4675 53.4681 42.0585 51.0283 -38.4675 51.0282 -10.2787 GPRESSAVG: 4670800 -39.7701 54.0552 -38.7087 53.3207 41.4814 50.9038 -37.168 51.7162 -10.2098 TIMING: 4670800 CPU: 13866.4, 0.00291934/step Wall: 13866.4, 0.00291934/step, 0.266958 hours remaining, 209.121094 MB of memory in use. ENERGY: 4670800 717.8494 2052.9244 1935.3395 124.5473 -206266.6283 17672.7522 0.0000 0.0000 34387.9587 -149375.2567 300.3186 -183763.2154 -149280.3993 298.7349 55.8315 84.7694 556569.5883 -2.8291 -2.8328 PRESSURE: 4671000 -182.277 84.6509 -204.108 84.6516 -68.8427 -9.67415 -204.107 -9.67558 -209.171 GPRESSURE: 4671000 -133.332 77.1337 -257.95 156.096 -67.001 35.0196 -127.961 -79.7786 -163.103 PRESSAVG: 4671000 6.89871 30.4857 27.874 30.4856 28.3028 2.62551 27.874 2.62541 -14.9944 GPRESSAVG: 4671000 8.10617 29.829 28.8068 28.4507 27.1022 2.69197 28.3444 1.3023 -15.4448 TIMING: 4671000 CPU: 13867, 0.00293462/step Wall: 13867, 0.00293462/step, 0.268192 hours remaining, 209.121094 MB of memory in use. ENERGY: 4671000 720.4078 2065.5429 1932.6793 105.4438 -205661.3689 17445.6200 0.0000 0.0000 34135.9764 -149255.6987 298.1180 -183391.6751 -149155.3915 298.8103 -153.4304 -121.1453 557645.1938 6.7357 6.5879 PRESSURE: 4671200 44.423 -164.698 -190.668 -164.698 -14.4322 174.477 -190.668 174.476 -169.733 GPRESSURE: 4671200 48.4568 -129.569 -188.941 -105.162 33.3713 112.551 -190.114 244.669 -129.795 PRESSAVG: 4671200 -7.9483 21.3909 -53.5157 21.3909 79.1782 -13.2717 -53.5157 -13.2718 -87.4011 GPRESSAVG: 4671200 -9.43892 19.4749 -53.9199 23.059 80.2565 -13.2849 -54.5589 -12.1244 -86.915 TIMING: 4671200 CPU: 13867.6, 0.00295062/step Wall: 13867.6, 0.00295062/step, 0.26949 hours remaining, 209.121094 MB of memory in use. ENERGY: 4671200 746.8915 2128.6256 1945.5320 100.6798 -206022.4719 17695.3053 0.0000 0.0000 34234.4950 -149170.9426 298.9784 -183405.4377 -149072.1046 299.5809 -46.5809 -15.9889 557837.0800 -5.3904 -5.3658 PRESSURE: 4671400 41.9564 62.3258 -46.4144 62.3257 -207.253 108.423 -46.4151 108.423 -184.432 GPRESSURE: 4671400 52.1689 91.7357 -161.492 14.0328 -163.035 88.257 11.7984 129.01 -141.312 PRESSAVG: 4671400 -13.0899 11.6351 -7.66737 11.6351 -18.3053 -3.20348 -7.66738 -3.20346 -13.3231 GPRESSAVG: 4671400 -12.3469 13.6413 -8.90168 9.98678 -18.6962 -3.21247 -5.89875 -3.40463 -13.6727 TIMING: 4671400 CPU: 13868.2, 0.00294974/step Wall: 13868.2, 0.00294974/step, 0.269246 hours remaining, 209.121094 MB of memory in use. ENERGY: 4671400 779.4026 2062.5626 1906.1932 104.6323 -205504.4325 17423.0976 0.0000 0.0000 34169.0477 -149059.4964 298.4068 -183228.5442 -148957.1592 299.5517 -116.5762 -84.0593 558553.2114 -14.9061 -14.9053 PRESSURE: 4671600 -15.9492 -97.4017 57.9882 -97.4014 -320.077 -32.9226 57.9887 -32.9214 -109.214 GPRESSURE: 4671600 -0.667062 -91.4244 83.4744 -78.8759 -252.564 -76.0538 4.64979 14.6279 -89.6147 PRESSAVG: 4671600 -22.0372 9.61966 -34.7198 9.61968 -20.834 42.2097 -34.7198 42.2096 20.4634 GPRESSAVG: 4671600 -21.0785 9.17993 -32.585 10.2797 -21.4683 42.9847 -37.1987 41.244 20.1406 TIMING: 4671600 CPU: 13868.8, 0.00292535/step Wall: 13868.8, 0.00292535/step, 0.266857 hours remaining, 209.121094 MB of memory in use. ENERGY: 4671600 762.6431 2073.4832 1945.5177 115.8755 -205831.3055 17662.0810 0.0000 0.0000 34160.6991 -149111.0059 298.3339 -183271.7049 -149013.2181 299.4821 -148.4132 -114.2818 560102.0949 -7.4692 -7.4688 PRESSURE: 4671800 -130.305 -132.627 -85.8925 -132.629 -428.608 -35.1732 -85.8926 -35.1715 -370.992 GPRESSURE: 4671800 -123.759 -106.053 -89.158 -91.4503 -391.104 -6.20815 -41.2096 -37.9707 -323.969 PRESSAVG: 4671800 -12.4363 46.8012 39.5197 46.8011 26.5934 -11.9098 39.5197 -11.9097 -3.28166 GPRESSAVG: 4671800 -13.7859 48.2561 39.2963 46.4609 25.8436 -13.5713 41.6651 -10.6955 -0.927827 TIMING: 4671800 CPU: 13869.4, 0.00292051/step Wall: 13869.4, 0.00292051/step, 0.266253 hours remaining, 209.121094 MB of memory in use. ENERGY: 4671800 791.3744 2085.3306 1945.0191 108.9588 -205897.2133 17534.1357 0.0000 0.0000 34354.3666 -149078.0281 300.0252 -183432.3947 -148975.0398 299.7509 -309.9684 -279.6109 558499.6324 3.6251 3.7100 PRESSURE: 4672000 -68.5528 -10.1423 -101.175 -10.1404 64.287 88.3154 -101.176 88.3169 -120.229 GPRESSURE: 4672000 -55.9474 58.9736 -116.451 -55.9086 90.3322 63.2518 -83.9547 87.9615 -65.2073 PRESSAVG: 4672000 46.729 50.048 -56.9564 50.048 -5.04245 -18.0834 -56.9564 -18.0834 -31.4451 GPRESSAVG: 4672000 46.7898 49.7789 -58.7852 50.5342 -4.55211 -16.6599 -57.296 -18.6739 -31.6859 TIMING: 4672000 CPU: 13870, 0.0029487/step Wall: 13870, 0.0029487/step, 0.26866 hours remaining, 209.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4672000 748.5830 2082.9679 1947.0256 130.0541 -205978.2518 17714.5056 0.0000 0.0000 34215.1816 -149139.9339 298.8097 -183355.1155 -149045.7692 299.9384 -41.4981 -10.2742 557301.1592 3.4138 3.5173 PRESSURE: 4672200 93.7445 -168.393 -48.9743 -168.394 72.9175 181.051 -48.9725 181.052 163.657 GPRESSURE: 4672200 97.7373 -212.142 32.7188 -74.192 121.488 163.048 -129.142 207.187 201.839 PRESSAVG: 4672200 -27.9823 -35.4112 -50.9177 -35.4111 19.3764 -12.5804 -50.9177 -12.5804 6.65455 GPRESSAVG: 4672200 -28.7714 -37.0318 -51.2069 -33.3543 20.6266 -14.1482 -50.2584 -11.9464 5.66962 TIMING: 4672200 CPU: 13870.6, 0.00297128/step Wall: 13870.6, 0.00297128/step, 0.270552 hours remaining, 209.121094 MB of memory in use. ENERGY: 4672200 748.2329 2063.7077 1948.5201 110.8782 -206430.2865 17943.4012 0.0000 0.0000 34391.9925 -149223.5538 300.3538 -183615.5463 -149128.3469 300.0094 110.1063 140.3546 557069.7407 -0.6504 -0.8251 LDB: ============= START OF LOAD BALANCING ============== 13874.1 LDB: ============== END OF LOAD BALANCING =============== 13874.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13874.1 LDB: ============= START OF LOAD BALANCING ============== 13874.4 LDB: Largest compute 4802 load 0.022078 is 18.7% of average load 0.118218 LDB: Average compute 0.001731 is 1.5% of average load 0.118218 LDB: TIME 13874.4 LOAD: AVG 0.118218 MAX 0.195199 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.121 MB LDB: TIME 13874.4 LOAD: AVG 0.118218 MAX 0.195199 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.32 MB LDB: TIME 13874.4 LOAD: AVG 0.118218 MAX 0.195199 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.32 MB LDB: ============== END OF LOAD BALANCING =============== 13874.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13874.4 PRESSURE: 4672400 98.3281 -153.484 -198.425 -153.484 103.147 24.3078 -198.423 24.3075 43.7509 GPRESSURE: 4672400 114.726 -217.567 -109.278 -77.5832 134.542 42.5782 -258.367 -37.8172 87.2993 PRESSAVG: 4672400 -60.7978 8.31861 -27.0052 8.31849 55.8939 15.3584 -27.0052 15.3584 -6.51551 GPRESSAVG: 4672400 -59.1816 10.9885 -26.406 5.36073 55.6885 14.7832 -28.0701 13.6115 -7.57148 TIMING: 4672400 CPU: 13871.1, 0.00298433/step Wall: 13871.1, 0.00298433/step, 0.271574 hours remaining, 208.351562 MB of memory in use. ENERGY: 4672400 738.9321 2113.3922 1945.9602 109.0366 -205951.6842 17802.6110 0.0000 0.0000 34084.5862 -149157.1658 297.6692 -183241.7521 -149068.3710 299.7939 81.7421 112.1891 557378.8276 -3.8064 -3.6882 PRESSURE: 4672600 55.5519 -34.7917 -39.3815 -34.792 -21.2922 29.7316 -39.3806 29.7303 5.39912 GPRESSURE: 4672600 132.248 -70.5847 -72.8374 -72.6903 22.0154 42.9974 -3.02075 -16.4218 -20.5873 PRESSAVG: 4672600 39.6752 43.3423 -81.7787 43.3423 -9.23505 24.6358 -81.7785 24.6358 -33.3024 GPRESSAVG: 4672600 38.3778 41.2261 -80.1606 45.6357 -9.45475 25.9991 -80.0996 25.927 -31.1535 TIMING: 4672600 CPU: 13871.7, 0.00292003/step Wall: 13871.7, 0.00292003/step, 0.26556 hours remaining, 208.351562 MB of memory in use. ENERGY: 4672600 776.6878 2131.4320 1911.8482 107.5924 -206290.8350 17847.3151 0.0000 0.0000 34274.5111 -149241.4483 299.3278 -183515.9595 -149140.8334 299.3461 13.2196 44.5588 556935.2377 -0.9541 -0.7435 PRESSURE: 4672800 239.377 -8.3169 3.25462 -8.31714 11.8676 -26.2301 3.25513 -26.2302 -54.4542 GPRESSURE: 4672800 305.533 9.73203 -93.2784 -11.6505 60.178 -35.0437 158.132 -53.7642 -71.9713 PRESSAVG: 4672800 65.0776 4.62327 -15.9285 4.62323 65.6937 14.7114 -15.9286 14.7114 -110.872 GPRESSAVG: 4672800 65.9503 3.67708 -16.8594 4.71184 64.9291 14.143 -15.1977 14.0936 -110.955 TIMING: 4672800 CPU: 13872.3, 0.0029263/step Wall: 13872.3, 0.0029263/step, 0.265968 hours remaining, 208.351562 MB of memory in use. ENERGY: 4672800 760.8049 2054.0726 1974.2638 119.5780 -206616.5534 18177.6521 0.0000 0.0000 34430.4001 -149099.7819 300.6892 -183530.1820 -148994.1815 299.4339 65.5970 97.9132 558308.7224 6.6329 6.6415 PRESSURE: 4673000 112.504 -70.0719 -17.8589 -70.0716 59.6333 -69.4486 -17.858 -69.4489 160.544 GPRESSURE: 4673000 165.527 -71.6643 -70.8064 -30.7892 31.0861 -98.7543 -61.7827 17.2138 233.469 PRESSAVG: 4673000 117.709 -1.32935 -43.7656 -1.32932 41.1069 9.93702 -43.7657 9.93681 -125.247 GPRESSAVG: 4673000 116.65 1.04659 -43.9662 -3.06841 42.0919 8.26102 -44.8704 12.5697 -124.588 TIMING: 4673000 CPU: 13872.9, 0.00295048/step Wall: 13872.9, 0.00295048/step, 0.268002 hours remaining, 208.351562 MB of memory in use. ENERGY: 4673000 732.3291 2100.8394 1935.5334 98.5742 -206127.5223 17779.8971 0.0000 0.0000 34264.1282 -149216.2210 299.2372 -183480.3491 -149122.7238 299.5085 110.8940 143.3607 556493.4228 11.1895 11.3847 PRESSURE: 4673200 -166.323 -36.42 -171.578 -36.4206 -103.408 -63.0016 -171.578 -63.0016 -321.663 GPRESSURE: 4673200 -177.714 -19.9477 -202.753 77.6226 -63.0802 -104.09 -105.084 -40.2837 -247.662 PRESSAVG: 4673200 33.1562 -31.8807 -44.6168 -31.8807 -30.5433 36.6727 -44.6167 36.6725 -0.801143 GPRESSAVG: 4673200 33.8757 -33.9329 -42.6053 -31.1621 -30.5228 38.6982 -44.8657 34.7726 -1.28425 TIMING: 4673200 CPU: 13873.5, 0.00292811/step Wall: 13873.5, 0.00292811/step, 0.265807 hours remaining, 208.351562 MB of memory in use. ENERGY: 4673200 754.9062 2108.9784 1916.9447 126.7887 -205886.9089 17542.8180 0.0000 0.0000 34374.7241 -149061.7487 300.2030 -183436.4728 -148960.0693 300.1033 -197.1313 -162.8187 557863.6694 0.6039 0.6896 PRESSURE: 4673400 16.7848 -78.3307 -55.4533 -78.3307 -83.65 -78.5544 -55.4536 -78.5538 -201.924 GPRESSURE: 4673400 95.4671 -117.813 -32.5067 -37.1925 -29.5686 -127.905 -91.1025 -78.3939 -241.798 PRESSAVG: 4673400 45.1019 -58.425 -2.0135 -58.425 -5.31864 29.5947 -2.01358 29.5948 -36.7627 GPRESSAVG: 4673400 45.494 -59.3785 -1.23631 -58.4539 -5.03449 28.6727 -3.05181 29.8234 -37.6899 TIMING: 4673400 CPU: 13874.1, 0.00292195/step Wall: 13874.1, 0.00292195/step, 0.265086 hours remaining, 208.351562 MB of memory in use. ENERGY: 4673400 788.2222 2087.0421 1961.3563 112.9606 -206348.1206 17925.5491 0.0000 0.0000 34161.9263 -149311.0640 298.3446 -183472.9902 -149210.1547 299.1394 -89.5962 -58.6330 557604.7043 1.0069 0.9232 PRESSURE: 4673600 -12.8379 -77.7279 -130.868 -77.7274 100.126 37.6676 -130.866 37.6705 93.6562 GPRESSURE: 4673600 -14.7725 -100.112 -161.978 -9.29906 212.287 62.2471 -103.596 59.8297 86.9801 PRESSAVG: 4673600 -0.00010494 -32.0366 -7.13448 -32.0365 -3.17727 1.23233 -7.13446 1.2323 31.4588 GPRESSAVG: 4673600 -1.7199 -30.8584 -10.2427 -31.688 -2.73393 0.5722 -6.81192 1.55787 32.6211 TIMING: 4673600 CPU: 13874.7, 0.00291662/step Wall: 13874.7, 0.00291662/step, 0.26444 hours remaining, 208.351562 MB of memory in use. ENERGY: 4673600 735.4745 2158.1994 1933.4611 102.8195 -206449.2138 18010.0912 0.0000 0.0000 34187.0506 -149322.1174 298.5640 -183509.1680 -149228.9639 299.2272 60.3146 94.8315 558417.8383 9.4271 9.3891 PRESSURE: 4673800 78.3893 14.4248 -74.2684 14.426 8.08724 27.6122 -74.2683 27.6119 -102.288 GPRESSURE: 4673800 79.4196 25.5304 17.9166 -81.911 73.2051 97.4372 -88.7254 -7.96341 -63.1362 PRESSAVG: 4673800 -25.4281 -65.2232 21.6768 -65.2232 -8.68956 -9.66131 21.6768 -9.6613 9.59624 GPRESSAVG: 4673800 -24.6691 -64.1704 21.7876 -67.3103 -8.65429 -7.50242 21.8179 -11.0325 9.14832 TIMING: 4673800 CPU: 13875.3, 0.00295374/step Wall: 13875.3, 0.00295374/step, 0.267641 hours remaining, 208.351562 MB of memory in use. ENERGY: 4673800 734.6707 2116.9780 1955.7039 117.5757 -206432.4357 17893.4483 0.0000 0.0000 34116.2124 -149497.8468 297.9454 -183614.0592 -149401.8102 298.8273 -5.2705 29.8295 557751.0182 -8.1738 -8.0584 PRESSURE: 4674000 -116.376 105.769 5.99961 105.769 -212.166 -263.165 5.9998 -263.164 -249.79 GPRESSURE: 4674000 -64.6127 56.7281 54.5821 214.936 -195.494 -230.078 -17.8591 -209.128 -216.646 PRESSAVG: 4674000 -39.6559 -1.59253 7.30532 -1.59247 9.90302 -33.0156 7.30536 -33.0154 28.0268 GPRESSAVG: 4674000 -38.4235 -4.61328 10.1889 0.380119 7.98035 -33.4898 7.91028 -31.7738 28.4997 TIMING: 4674000 CPU: 13875.8, 0.00294085/step Wall: 13875.8, 0.00294085/step, 0.266311 hours remaining, 208.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4674000 758.2839 2053.6642 1927.4154 108.0696 -205879.5660 17516.2581 0.0000 0.0000 34045.6821 -149470.1926 297.3294 -183515.8748 -149370.6402 298.8708 -192.7776 -158.9177 558131.4582 -0.5753 -0.6478 PRESSURE: 4674200 -266.696 -18.2607 10.9343 -18.2594 -302.381 33.8523 10.9349 33.8531 -256.239 GPRESSURE: 4674200 -227.911 -100.853 -53.3371 26.3876 -290.511 61.8619 61.3213 -11.1316 -208.37 PRESSAVG: 4674200 -13.9825 11.851 14.4352 11.8509 -60.4532 12.6584 14.4353 12.6586 60.5962 GPRESSAVG: 4674200 -14.0368 13.9668 10.8352 12.2663 -59.7682 12.8662 13.9481 12.2294 60.1932 TIMING: 4674200 CPU: 13876.4, 0.00293452/step Wall: 13876.4, 0.00293452/step, 0.265574 hours remaining, 208.351562 MB of memory in use. ENERGY: 4674200 763.7970 2093.8163 1922.6189 100.3884 -205926.9566 17585.2888 0.0000 0.0000 34095.7725 -149365.2746 297.7669 -183461.0471 -149265.2870 297.9814 -275.1050 -242.2637 558746.4733 -4.6132 -4.5373 PRESSURE: 4674400 -181.71 25.3 150.861 25.301 169.212 -102.577 150.861 -102.576 -343.897 GPRESSURE: 4674400 -102.704 83.5793 115.65 62.5068 223.719 -30.6832 185.044 -15.3612 -387.371 PRESSAVG: 4674400 -42.9231 10.7239 6.69343 10.7239 -34.9983 -21.4123 6.69333 -21.4124 20.4106 GPRESSAVG: 4674400 -43.0575 11.1445 5.89208 9.21781 -35.1775 -22.191 11.0004 -19.1815 20.7401 TIMING: 4674400 CPU: 13877, 0.00292516/step Wall: 13877, 0.00292516/step, 0.264565 hours remaining, 208.351562 MB of memory in use. ENERGY: 4674400 763.1819 2088.4535 1915.3178 111.5140 -206345.7839 17966.5403 0.0000 0.0000 34077.7396 -149423.0369 297.6094 -183500.7765 -149322.7868 298.4614 -118.7982 -88.7853 559790.9355 -19.1702 -19.1650 PRESSURE: 4674600 -242.25 -9.43134 166.909 -9.43208 -165.903 52.1856 166.908 52.1853 -112.868 GPRESSURE: 4674600 -279.794 104.974 190.994 -58.7587 -76.38 12.8588 135.568 100.204 -55.2978 PRESSAVG: 4674600 34.6901 50.2223 -4.77557 50.2222 -54.2162 -49.9072 -4.77551 -49.9072 -18.4895 GPRESSAVG: 4674600 34.1177 49.5238 -4.61118 49.7456 -54.2343 -49.6211 -8.14033 -50.7112 -18.2796 TIMING: 4674600 CPU: 13877.6, 0.00293139/step Wall: 13877.6, 0.00293139/step, 0.264965 hours remaining, 208.351562 MB of memory in use. ENERGY: 4674600 774.5530 2073.7659 1912.7683 125.2305 -206121.5326 17728.5684 0.0000 0.0000 34110.0439 -149396.6028 297.8915 -183506.6467 -149305.3855 298.9216 -173.6738 -137.1574 560531.2216 -12.6719 -12.7987 PRESSURE: 4674800 142.914 98.2585 16.36 98.2571 81.8414 2.32643 16.3598 2.32584 -85.3708 GPRESSURE: 4674800 203.492 -0.583508 -4.73634 121.007 62.3964 -81.2129 -13.7315 52.1691 -30.3375 PRESSAVG: 4674800 25.8559 -43.0186 25.1628 -43.0185 16.9834 21.2424 25.1628 21.2423 -8.49918 GPRESSAVG: 4674800 24.8195 -45.7713 26.9839 -41.1638 16.4628 21.7094 24.6268 20.2739 -7.36969 TIMING: 4674800 CPU: 13878.2, 0.00294818/step Wall: 13878.2, 0.00294818/step, 0.266319 hours remaining, 208.351562 MB of memory in use. ENERGY: 4674800 778.6675 2050.8137 1930.9277 111.4828 -206198.1433 18067.7653 0.0000 0.0000 34040.6911 -149217.7953 297.2858 -183258.4864 -149116.1746 298.5454 46.4617 78.5171 558593.6830 11.4467 11.3042 PRESSURE: 4675000 11.4027 214.553 16.7414 214.552 110.744 78.8073 16.741 78.8086 -191.556 GPRESSURE: 4675000 37.5182 64.893 2.606 163.212 153.62 135.866 89.4483 -1.14195 -166.746 PRESSAVG: 4675000 46.9052 28.497 -15.9184 28.4969 -11.4654 -9.31374 -15.9183 -9.31383 -47.0632 GPRESSAVG: 4675000 48.3065 29.5247 -17.2794 27.5444 -11.151 -7.82206 -16.1799 -11.9617 -49.4125 TIMING: 4675000 CPU: 13878.8, 0.00294374/step Wall: 13878.8, 0.00294374/step, 0.265754 hours remaining, 208.351562 MB of memory in use. ENERGY: 4675000 774.7926 2135.4984 1948.0578 112.8596 -206168.4347 17826.1294 0.0000 0.0000 34391.6269 -148979.4699 300.3506 -183371.0968 -148886.0624 299.5493 -23.1365 8.1305 556988.6417 -3.8744 -4.0857 PRESSURE: 4675200 218.386 -56.4257 -90.598 -56.425 -127.339 -150.59 -90.5991 -150.59 -70.1102 GPRESSURE: 4675200 242.627 -30.3335 -44.0248 10.6458 -42.2034 -179.675 -195.68 -138.195 -69.9847 PRESSAVG: 4675200 114.391 -14.8468 -26.4992 -14.8468 -52.4482 63.4185 -26.4992 63.4184 -16.7754 GPRESSAVG: 4675200 113.625 -13.4541 -23.5045 -15.7857 -51.6935 61.2852 -28.8504 65.1473 -16.571 TIMING: 4675200 CPU: 13879.4, 0.00293074/step Wall: 13879.4, 0.00293074/step, 0.264418 hours remaining, 208.351562 MB of memory in use. ENERGY: 4675200 755.7734 2104.5636 1917.5666 119.1114 -206232.6565 17864.5128 0.0000 0.0000 34346.3158 -149124.8129 299.9549 -183471.1287 -149033.0321 299.6782 6.9790 43.4795 558495.8514 15.0559 15.1202 PRESSURE: 4675400 75.2995 95.9627 4.81505 95.964 -16.6942 22.1604 4.81504 22.1623 -5.80889 GPRESSURE: 4675400 103.95 27.4215 -51.4545 158.141 22.2518 18.9165 52.2081 30.666 29.5986 PRESSAVG: 4675400 7.50975 73.373 -39.2347 73.373 -6.40017 16.136 -39.2347 16.1361 -10.1084 GPRESSAVG: 4675400 7.3793 72.0252 -41.896 76.0981 -6.15297 17.8023 -35.3144 15.1816 -9.75425 TIMING: 4675400 CPU: 13880, 0.00294181/step Wall: 13880, 0.00294181/step, 0.265253 hours remaining, 208.351562 MB of memory in use. ENERGY: 4675400 755.7636 2111.3907 1925.0355 123.5268 -206130.0697 17772.3026 0.0000 0.0000 34316.9761 -149125.0743 299.6987 -183442.0505 -149034.4091 299.4159 17.5988 51.9333 559225.4682 -2.9996 -2.8426 PRESSURE: 4675600 125.669 -62.6657 184.648 -62.6656 148.519 60.5847 184.648 60.5855 -51.8746 GPRESSURE: 4675600 109.507 -141.743 175.386 12.9779 199.884 89.4124 167.502 65.5923 18.7458 PRESSAVG: 4675600 1.68968 -18.6782 66.5391 -18.6782 50.1492 6.23613 66.5391 6.23601 -2.95959 GPRESSAVG: 4675600 1.37304 -17.2572 66.2479 -20.6559 50.4102 5.76191 64.554 5.57912 -2.92149 TIMING: 4675600 CPU: 13880.5, 0.00295114/step Wall: 13880.5, 0.00295114/step, 0.265931 hours remaining, 208.351562 MB of memory in use. ENERGY: 4675600 711.7846 2076.1120 1924.4591 115.7307 -205888.0907 17747.8228 0.0000 0.0000 34270.1935 -149041.9881 299.2901 -183312.1816 -148950.5969 299.7043 74.1045 109.3787 557102.8931 16.2931 16.2873 PRESSURE: 4675800 -214.934 38.9496 -101.26 38.9492 -305.367 -7.47975 -101.26 -7.48118 -190.883 GPRESSURE: 4675800 -179.034 3.12105 -2.96871 56.2263 -249.309 -74.3895 -153.18 -53.4873 -178.24 PRESSAVG: 4675800 40.8392 5.45041 18.3394 5.45032 -46.1522 -45.1541 18.3393 -45.1542 31.5774 GPRESSAVG: 4675800 42.3807 4.44343 18.1094 7.36356 -46.9069 -46.7186 18.3904 -43.0669 31.6418 TIMING: 4675800 CPU: 13881.1, 0.00293228/step Wall: 13881.1, 0.00293228/step, 0.264068 hours remaining, 208.351562 MB of memory in use. ENERGY: 4675800 746.7340 2097.9375 1933.0931 128.8824 -205747.1003 17530.9818 0.0000 0.0000 34308.8200 -149000.6517 299.6275 -183309.4717 -148904.8865 300.1554 -237.0614 -202.1945 558612.3917 8.7548 9.0385 PRESSURE: 4676000 132.516 42.219 116.601 42.2197 52.279 21.553 116.601 21.5531 289.685 GPRESSURE: 4676000 163.058 90.3312 85.5078 -0.0696687 94.0291 -14.7396 116.225 2.48769 320.761 PRESSAVG: 4676000 0.41559 -15.4887 42.156 -15.4888 -11.3687 -30.782 42.1559 -30.782 -6.32192 GPRESSAVG: 4676000 0.0143671 -16.2897 44.5799 -17.8559 -11.3853 -28.7262 40.5449 -32.264 -5.4424 TIMING: 4676000 CPU: 13881.7, 0.00292302/step Wall: 13881.7, 0.00292302/step, 0.263072 hours remaining, 208.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4676000 743.3493 2138.6439 1937.4757 122.0240 -206222.0480 17874.5577 0.0000 0.0000 34293.5183 -149112.4791 299.4938 -183405.9974 -149019.2370 299.7483 158.1599 192.6161 556045.4515 -5.7583 -5.6044 PRESSURE: 4676200 63.6971 -28.8438 -66.854 -28.844 -30.0126 76.7362 -66.854 76.7377 -132.14 GPRESSURE: 4676200 159.659 -72.8357 -52.8043 -23.4845 -51.502 193.508 -58.5576 63.9029 -113.531 PRESSAVG: 4676200 59.4847 0.200063 15.2902 0.200024 -29.9595 -7.8525 15.2902 -7.8524 -13.2211 GPRESSAVG: 4676200 60.5051 2.70523 12.51 0.882124 -29.5831 -6.56033 17.9571 -7.79889 -14.7178 TIMING: 4676200 CPU: 13882.3, 0.00294192/step Wall: 13882.3, 0.00294192/step, 0.264609 hours remaining, 208.351562 MB of memory in use. ENERGY: 4676200 749.3228 2107.2939 1932.6724 120.7417 -206211.6666 17595.8761 0.0000 0.0000 34458.6127 -149247.1471 300.9356 -183705.7598 -149152.5898 299.2627 -32.8186 -1.7916 556811.2224 5.4347 5.4014 LDB: ============= START OF LOAD BALANCING ============== 13885.8 LDB: ============== END OF LOAD BALANCING =============== 13885.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13885.8 LDB: ============= START OF LOAD BALANCING ============== 13886.1 LDB: Largest compute 4801 load 0.022692 is 19.2% of average load 0.118283 LDB: Average compute 0.001735 is 1.5% of average load 0.118283 LDB: TIME 13886.1 LOAD: AVG 0.118283 MAX 0.200053 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.125 MB LDB: TIME 13886.1 LOAD: AVG 0.118283 MAX 0.200053 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.125 MB LDB: TIME 13886.1 LOAD: AVG 0.118283 MAX 0.200053 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.125 MB LDB: ============== END OF LOAD BALANCING =============== 13886.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13886.2 PRESSURE: 4676400 63.7178 -114.43 -160.46 -114.43 57.3507 -52.9548 -160.46 -52.9559 -33.2736 GPRESSURE: 4676400 34.8593 -68.9933 -95.1113 -168.769 163.817 -133.128 -172.563 54.2269 -13.209 PRESSAVG: 4676400 15.3128 33.7322 -72.891 33.7322 16.9558 1.13422 -72.8909 1.13439 -37.1881 GPRESSAVG: 4676400 14.4271 31.9498 -70.2861 32.7877 16.2132 -0.761043 -72.7749 2.4992 -35.7986 TIMING: 4676400 CPU: 13882.9, 0.0030058/step Wall: 13882.9, 0.0030058/step, 0.270188 hours remaining, 209.062500 MB of memory in use. ENERGY: 4676400 735.4372 2079.0718 1942.8921 121.9250 -206351.6894 17838.4387 0.0000 0.0000 34312.9229 -149321.0016 299.6633 -183633.9245 -149217.5003 299.4004 29.2649 61.8224 557160.8348 -1.6398 -1.7194 PRESSURE: 4676600 -2.20957 69.9751 0.207853 69.9737 212.692 -63.1181 0.2074 -63.1195 -27.4525 GPRESSURE: 4676600 56.5756 -5.83205 -10.0994 39.442 194.399 0.74778 70.4577 -27.0529 7.47243 PRESSAVG: 4676600 -26.7483 35.3992 -24.4474 35.3992 17.2384 6.58621 -24.4473 6.58603 27.6209 GPRESSAVG: 4676600 -26.3356 34.2647 -26.3526 36.6335 17.2138 8.79543 -23.86 6.96478 27.2063 TIMING: 4676600 CPU: 13883.5, 0.00295134/step Wall: 13883.5, 0.00295134/step, 0.265129 hours remaining, 209.062500 MB of memory in use. ENERGY: 4676600 753.7064 2157.9718 1920.0247 105.1593 -206601.9953 18005.7627 0.0000 0.0000 34147.6300 -149511.7404 298.2197 -183659.3704 -149408.3399 298.6544 61.0100 86.1489 557434.0172 6.0370 6.0282 PRESSURE: 4676800 -230.187 3.03429 -57.3829 3.03469 -97.8455 116.985 -57.3834 116.985 -205.658 GPRESSURE: 4676800 -190.8 25.1237 5.07535 7.85158 -10.1066 68.7346 -78.37 152.142 -233.312 PRESSAVG: 4676800 22.3747 19.1447 -27.9965 19.1447 6.69301 7.86324 -27.9965 7.86328 -18.317 GPRESSAVG: 4676800 21.7731 20.2733 -26.3712 18.6609 6.79274 5.15151 -29.6014 8.17633 -16.9353 TIMING: 4676800 CPU: 13884.1, 0.00294478/step Wall: 13884.1, 0.00294478/step, 0.264375 hours remaining, 209.062500 MB of memory in use. ENERGY: 4676800 746.4527 2135.1488 1942.8689 120.0751 -206332.2573 17573.7124 0.0000 0.0000 34378.0746 -149435.9247 300.2323 -183813.9993 -149335.8179 298.3798 -177.8968 -144.7396 556972.9246 3.5836 3.8768 PRESSURE: 4677000 175.123 239.828 -20.3028 239.828 131.033 -83.5422 -20.3019 -83.5423 100.949 GPRESSURE: 4677000 186.037 231.487 27.4933 250.877 202.498 -103.228 -65.184 -27.5286 123.005 PRESSAVG: 4677000 33.1836 88.1282 -8.57527 88.1281 3.25974 -0.131415 -8.57524 -0.131363 -30.0311 GPRESSAVG: 4677000 33.621 87.3255 -9.05047 87.1523 3.30434 1.81087 -8.46647 -1.25614 -30.5937 TIMING: 4677000 CPU: 13884.7, 0.00295761/step Wall: 13884.7, 0.00295761/step, 0.265364 hours remaining, 209.062500 MB of memory in use. ENERGY: 4677000 754.5005 2086.1149 1922.8013 112.3967 -206653.6897 18193.1182 0.0000 0.0000 34168.0518 -149416.7063 298.3981 -183584.7581 -149324.5472 299.0219 135.7018 170.5133 557184.8910 2.1374 2.1105 PRESSURE: 4677200 -289.259 -78.6625 40.6424 -78.6621 -95.5257 -181.569 40.6414 -181.57 -146.307 GPRESSURE: 4677200 -254.049 10.7329 71.6824 -148.4 -99.6693 -263.203 27.1443 -119.63 -80.7178 PRESSAVG: 4677200 8.81441 50.6019 24.3264 50.6018 -44.9256 -70.0258 24.3264 -70.0259 1.51191 GPRESSAVG: 4677200 8.77269 50.6541 23.6715 52.0198 -45.2394 -73.2906 24.8583 -68.2062 1.7149 TIMING: 4677200 CPU: 13885.3, 0.00291716/step Wall: 13885.3, 0.00291716/step, 0.261572 hours remaining, 209.320312 MB of memory in use. ENERGY: 4677200 754.9005 2102.0704 1942.9449 131.8774 -206268.3551 17674.4872 0.0000 0.0000 34258.1873 -149403.8874 299.1853 -183662.0747 -149298.6967 298.7416 -177.0306 -144.8122 558350.5228 -11.5331 -11.5839 PRESSURE: 4677400 -14.0702 40.0151 56.5907 40.0156 -34.0512 -62.1159 56.5907 -62.1174 47.7078 GPRESSURE: 4677400 13.5023 81.0259 2.52074 39.4462 -5.69018 -44.6298 81.7317 -45.593 71.0409 PRESSAVG: 4677400 25.0284 22.9041 -15.8654 22.9041 -7.88991 13.7699 -15.8653 13.7698 20.4028 GPRESSAVG: 4677400 24.6533 23.2828 -14.9379 21.3903 -6.9577 15.501 -14.141 11.7313 19.9499 TIMING: 4677400 CPU: 13885.8, 0.00293721/step Wall: 13885.8, 0.00293721/step, 0.263207 hours remaining, 209.320312 MB of memory in use. ENERGY: 4677400 753.6814 2093.2173 1934.5939 116.4943 -206464.4129 18082.1943 0.0000 0.0000 34081.1576 -149403.0741 297.6392 -183484.2317 -149306.6191 298.2411 -0.1379 26.2843 558209.2821 12.5138 12.5485 PRESSURE: 4677600 30.1197 -28.432 27.9348 -28.432 -76.7124 -74.9147 27.9354 -74.9134 -246.973 GPRESSURE: 4677600 12.4074 -47.2052 60.6699 -73.2755 -20.7305 -18.0099 92.0957 37.3028 -186.515 PRESSAVG: 4677600 63.4042 -26.4949 56.1823 -26.4949 -32.3878 -50.9067 56.1823 -50.9067 -28.2953 GPRESSAVG: 4677600 63.0605 -27.6877 56.4891 -25.7012 -32.5228 -49.9225 55.2418 -49.635 -28.2933 TIMING: 4677600 CPU: 13886.4, 0.00292994/step Wall: 13886.4, 0.00292994/step, 0.262392 hours remaining, 209.320312 MB of memory in use. ENERGY: 4677600 737.7424 2093.4238 1946.6571 114.1837 -206331.6102 17835.9679 0.0000 0.0000 34334.4690 -149269.1664 299.8515 -183603.6354 -149171.2260 299.1959 -97.8552 -64.9462 559330.9154 0.9070 0.7481 PRESSURE: 4677800 -206.724 -15.0974 -44.8034 -15.0965 -180.976 -173.401 -44.8022 -173.401 78.8985 GPRESSURE: 4677800 -154.539 -2.72356 23.2802 -13.9272 -152.728 -211.409 -134.853 -177.221 82.2752 PRESSAVG: 4677800 38.873 -1.76824 42.592 -1.76814 10.3497 -13.3269 42.592 -13.3268 -3.48812 GPRESSAVG: 4677800 39.0438 -1.24535 39.9978 -1.93334 10.0059 -12.6404 42.8706 -15.1314 -3.21394 TIMING: 4677800 CPU: 13887, 0.00296263/step Wall: 13887, 0.00296263/step, 0.265156 hours remaining, 209.320312 MB of memory in use. ENERGY: 4677800 750.4483 2112.8051 1919.6962 107.2356 -205927.7027 17691.3052 0.0000 0.0000 34203.5635 -149142.6488 298.7082 -183346.2123 -149047.5094 300.1935 -102.9338 -74.9973 558914.9548 15.2449 15.2786 PRESSURE: 4678000 33.5827 -42.2983 163.998 -42.2988 -56.9731 78.7917 163.997 78.7918 -210.364 GPRESSURE: 4678000 29.8036 -40.894 157.754 33.3999 -7.79437 104.27 163.135 -24.6542 -143.591 PRESSAVG: 4678000 -20.7424 -14.8435 -27.0837 -14.8436 -32.2347 63.4104 -27.0838 63.4106 59.44 GPRESSAVG: 4678000 -19.3294 -15.47 -24.9495 -14.9435 -32.207 62.03 -26.9184 64.898 58.4563 TIMING: 4678000 CPU: 13887.6, 0.0029501/step Wall: 13887.6, 0.0029501/step, 0.26387 hours remaining, 209.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4678000 748.3485 2089.1983 1942.0738 100.8734 -206097.5701 17834.5705 0.0000 0.0000 34270.2623 -149112.2433 299.2907 -183382.5057 -149021.7902 299.6265 -77.9181 -40.5271 556854.9705 2.1543 2.3067 PRESSURE: 4678200 -78.0018 36.9796 -86.071 36.9796 10.129 -80.7219 -86.0722 -80.7206 39.755 GPRESSURE: 4678200 -13.5497 -47.8951 -74.7238 115.313 19.5537 -55.017 -3.434 -117.328 64.3382 PRESSAVG: 4678200 41.0257 29.1605 -73.2729 29.1605 1.80987 35.1268 -73.2728 35.1268 25.3071 GPRESSAVG: 4678200 39.7469 30.8264 -73.5973 30.4394 2.10334 35.6678 -73.0758 36.4458 25.9692 TIMING: 4678200 CPU: 13888.2, 0.00296628/step Wall: 13888.2, 0.00296628/step, 0.265153 hours remaining, 209.320312 MB of memory in use. ENERGY: 4678200 742.5247 2145.4298 1931.3741 104.7287 -206187.1539 17831.1840 0.0000 0.0000 34364.6553 -149067.2573 300.1151 -183431.9126 -148972.4894 299.8175 -9.3726 23.4474 557353.9817 22.7142 22.6065 PRESSURE: 4678400 181.271 172.061 32.7458 172.061 -47.5831 51.7432 32.7462 51.744 71.3602 GPRESSURE: 4678400 214.015 145.562 12.4628 186.986 -33.6997 95.913 49.7841 77.7763 107.092 PRESSAVG: 4678400 49.4022 19.7559 -9.78242 19.756 -20.6059 25.0587 -9.78249 25.0588 -8.15436 GPRESSAVG: 4678400 49.8292 19.6499 -10.5263 16.9468 -21.8989 23.1909 -9.60125 25.1378 -7.75794 TIMING: 4678400 CPU: 13888.8, 0.00293453/step Wall: 13888.8, 0.00293453/step, 0.262152 hours remaining, 209.320312 MB of memory in use. ENERGY: 4678400 721.8337 2134.5707 1926.5827 125.0454 -206646.4349 18101.5035 0.0000 0.0000 34550.7274 -149086.1715 301.7401 -183636.8989 -148989.6397 299.5178 68.3493 95.8026 558674.5948 6.8806 6.7241 PRESSURE: 4678600 -244.671 -90.2448 219.362 -90.2443 67.3608 -186.195 219.363 -186.196 136.753 GPRESSURE: 4678600 -221.022 -65.4308 174.48 -56.9052 112.963 -172.663 268.188 -231.432 154.489 PRESSAVG: 4678600 -10.939 -2.60289 19.2874 -2.60286 43.7598 -21.9554 19.2875 -21.9555 -6.95134 GPRESSAVG: 4678600 -11.4408 -2.81138 21.5096 -1.88278 45.1236 -19.6908 19.0434 -25.0734 -8.53789 TIMING: 4678600 CPU: 13889.4, 0.00294114/step Wall: 13889.4, 0.00294114/step, 0.262578 hours remaining, 209.320312 MB of memory in use. ENERGY: 4678600 749.7877 2112.5747 1921.1832 117.1521 -206686.1721 18026.8190 0.0000 0.0000 34498.6293 -149260.0259 301.2851 -183758.6553 -149157.0340 300.5426 -13.5188 15.4765 556344.4012 8.6232 8.3816 PRESSURE: 4678800 -125.746 -79.0144 -52.0856 -79.0141 145.917 -75.9025 -52.0854 -75.9033 185.191 GPRESSURE: 4678800 -123.357 -83.0592 -148.668 -4.11402 235.174 -90.2223 6.78967 -67.2187 181.845 PRESSAVG: 4678800 -10.8159 26.8025 75.9446 26.8025 -44.3613 -53.774 75.9445 -53.7741 0.079131 GPRESSAVG: 4678800 -10.7081 26.2132 75.5544 29.4253 -45.3932 -56.3571 76.1291 -51.4266 0.999783 TIMING: 4678800 CPU: 13890, 0.00293325/step Wall: 13890, 0.00293325/step, 0.261711 hours remaining, 209.320312 MB of memory in use. ENERGY: 4678800 747.9150 2180.8222 1922.9148 117.4353 -206612.1817 17925.6742 0.0000 0.0000 34484.8121 -149232.6081 301.1644 -183717.4202 -149139.3851 299.6922 68.4538 97.8870 555758.1302 -18.3660 -18.3672 PRESSURE: 4679000 -112.922 116.664 8.59112 116.665 -207.9 -185.594 8.59209 -185.591 -246.603 GPRESSURE: 4679000 -65.7854 111.886 -0.476018 177.355 -209.567 -142.684 3.96838 -165.003 -195.167 PRESSAVG: 4679000 25.6136 46.4524 -6.21901 46.4524 -48.2672 20.348 -6.21905 20.348 35.6512 GPRESSAVG: 4679000 25.7137 45.7958 -6.68838 43.3856 -49.1885 18.43 -7.1032 21.5834 35.9508 TIMING: 4679000 CPU: 13890.6, 0.00293032/step Wall: 13890.6, 0.00293032/step, 0.261287 hours remaining, 209.320312 MB of memory in use. ENERGY: 4679000 742.9978 2101.1377 1938.2631 116.2095 -205952.6600 17420.5280 0.0000 0.0000 34321.2996 -149312.2244 299.7364 -183633.5239 -149209.8068 299.4744 -189.1418 -156.8396 556032.3120 4.3325 4.1586 PRESSURE: 4679200 -6.12721 19.3302 203.789 19.3301 100.601 -108.275 203.79 -108.275 120.311 GPRESSURE: 4679200 -23.2412 23.4279 95.1869 12.7585 82.2914 -140.656 188.083 -126.232 251.855 PRESSAVG: 4679200 5.04862 14.9593 22.0316 14.9592 -4.26769 -35.6425 22.0316 -35.6426 -11.0331 GPRESSAVG: 4679200 5.87754 16.219 21.3002 15.3922 -4.29009 -31.0155 22.4121 -38.2859 -11.8644 TIMING: 4679200 CPU: 13891.1, 0.00295911/step Wall: 13891.1, 0.00295911/step, 0.26369 hours remaining, 209.320312 MB of memory in use. ENERGY: 4679200 774.1258 2105.7663 1946.8061 108.9212 -206472.0793 17890.8874 0.0000 0.0000 34359.6761 -149285.8963 300.0716 -183645.5724 -149189.9272 299.7286 71.5949 103.6351 556951.0239 -3.4174 -3.4256 PRESSURE: 4679400 -208.846 5.81827 -42.4993 5.81868 -281.767 102.554 -42.4994 102.553 -85.4903 GPRESSURE: 4679400 -169.725 92.1325 -48.1122 42.1788 -234.17 99.1707 -56.8829 46.7642 -71.4696 PRESSAVG: 4679400 2.16129 34.0192 20.4538 34.0193 -40.3515 -13.6546 20.4538 -13.6547 -0.285209 GPRESSAVG: 4679400 0.897002 32.1142 21.2776 34.3353 -39.812 -14.2321 19.6457 -14.0322 0.00335585 TIMING: 4679400 CPU: 13891.7, 0.00294794/step Wall: 13891.7, 0.00294794/step, 0.26253 hours remaining, 209.320312 MB of memory in use. ENERGY: 4679400 774.7080 2141.0435 1910.8063 115.4360 -205509.9915 17293.8464 0.0000 0.0000 34032.3537 -149241.7977 297.2130 -183274.1514 -149150.0905 299.2700 -192.0342 -158.4551 556363.5575 -12.8251 -12.9705 PRESSURE: 4679600 99.8331 -22.3245 292.111 -22.3246 -139.73 22.7151 292.111 22.715 31.2209 GPRESSURE: 4679600 188.875 -104.512 165.944 49.5512 -137.172 12.6848 246.235 -7.25478 33.3964 PRESSAVG: 4679600 61.9439 -18.5534 58.2934 -18.5535 -42.6948 -6.55398 58.2934 -6.55407 46.9104 GPRESSAVG: 4679600 61.7022 -17.304 57.083 -17.69 -41.0296 -7.66067 59.3986 -4.77068 46.107 TIMING: 4679600 CPU: 13892.3, 0.00294723/step Wall: 13892.3, 0.00294723/step, 0.262304 hours remaining, 209.320312 MB of memory in use. ENERGY: 4679600 790.2369 2086.3933 1947.4601 107.9755 -206214.8719 17779.5647 0.0000 0.0000 34421.3060 -149081.9355 300.6098 -183503.2415 -148992.2181 299.9422 -2.8920 28.3666 555835.7546 22.0532 22.2599 PRESSURE: 4679800 345.563 89.0795 114.97 89.0802 -157.834 84.9796 114.97 84.9788 27.6492 GPRESSURE: 4679800 325.721 77.2118 124.839 88.3697 -49.256 113.37 165.685 94.1439 46.1325 PRESSAVG: 4679800 46.1829 3.80536 64.4305 3.80544 19.8333 -2.5199 64.4304 -2.51978 17.3138 GPRESSAVG: 4679800 46.6689 4.1075 65.4211 3.56542 19.1298 -1.40947 63.75 -3.55012 17.6156 TIMING: 4679800 CPU: 13892.9, 0.00298236/step Wall: 13892.9, 0.00298236/step, 0.265264 hours remaining, 209.320312 MB of memory in use. ENERGY: 4679800 772.0121 2100.2683 1921.7963 107.1692 -206208.8793 17854.4197 0.0000 0.0000 34124.0881 -149329.1255 298.0141 -183453.2136 -149230.3495 299.6151 71.7927 107.5323 556343.6523 27.7767 27.8048 PRESSURE: 4680000 -248.396 -201.971 -168.291 -201.971 -77.4076 -47.6891 -168.289 -47.6899 90.1553 GPRESSURE: 4680000 -214.454 -189.459 -185.609 -149.744 -64.0656 -100.111 -160.991 -110.732 134.547 PRESSAVG: 4680000 43.4903 26.1536 -12.2347 26.1536 -46.1839 6.39523 -12.2347 6.39519 -3.39953 GPRESSAVG: 4680000 42.7144 25.6995 -11.6934 26.9523 -47.7902 6.8993 -11.5931 5.48933 -1.45582 TIMING: 4680000 CPU: 13893.5, 0.0029909/step Wall: 13893.5, 0.0029909/step, 0.265857 hours remaining, 209.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4680000 792.2705 2151.5274 1918.5704 116.9142 -206362.8855 17820.7047 0.0000 0.0000 34203.0920 -149359.8062 298.7041 -183562.8982 -149268.2804 299.2856 -78.5495 -47.9907 556871.9254 -2.0310 -2.1772 PRESSURE: 4680200 97.8177 -48.8039 131.928 -48.8034 33.1444 -191.408 131.926 -191.409 135.247 GPRESSURE: 4680200 177.257 -54.237 162.578 -45.939 40.7147 -224.968 89.0475 -161.186 159.939 PRESSAVG: 4680200 -0.866236 8.65602 -26.0637 8.65606 56.3923 -4.70612 -26.0636 -4.70605 -45.7174 GPRESSAVG: 4680200 -0.424477 9.39662 -26.0455 6.79913 58.919 -4.48688 -27.257 -3.34152 -48.7569 TIMING: 4680200 CPU: 13894.1, 0.00296326/step Wall: 13894.1, 0.00296326/step, 0.263236 hours remaining, 209.320312 MB of memory in use. ENERGY: 4680200 779.9690 2095.6420 1938.7251 107.8343 -206408.6292 17862.1707 0.0000 0.0000 34302.2672 -149322.0209 299.5702 -183624.2881 -149223.6083 299.5404 88.7365 125.9702 555885.8920 3.2695 3.2459 LDB: ============= START OF LOAD BALANCING ============== 13897.7 LDB: ============== END OF LOAD BALANCING =============== 13897.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13897.7 LDB: ============= START OF LOAD BALANCING ============== 13898 LDB: Largest compute 4801 load 0.021630 is 18.3% of average load 0.118232 LDB: Average compute 0.001725 is 1.5% of average load 0.118232 LDB: TIME 13898 LOAD: AVG 0.118232 MAX 0.1978 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.039 MB LDB: TIME 13898 LOAD: AVG 0.118232 MAX 0.1978 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: TIME 13898 LOAD: AVG 0.118232 MAX 0.1978 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: ============== END OF LOAD BALANCING =============== 13898 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13898 PRESSURE: 4680400 128.062 -4.19936 -45.4275 -4.1981 -385.063 64.7835 -45.4274 64.7826 226.601 GPRESSURE: 4680400 131.054 -41.2997 -111.308 13.1127 -326.58 70.4929 -16.9412 40.2822 265.195 PRESSAVG: 4680400 -34.8607 -0.340181 -49.4483 -0.3401 21.2528 -53.7389 -49.4483 -53.7389 16.2645 GPRESSAVG: 4680400 -34.1091 -0.984044 -49.7068 -0.0885717 20.1295 -54.7926 -48.6564 -56.0042 17.104 TIMING: 4680400 CPU: 13894.7, 0.00304219/step Wall: 13894.7, 0.00304219/step, 0.270078 hours remaining, 209.574219 MB of memory in use. ENERGY: 4680400 758.9828 2173.3225 1923.0788 110.4694 -206398.4590 17836.2665 0.0000 0.0000 34279.7727 -149316.5663 299.3738 -183596.3390 -149223.2576 299.4563 -10.1333 23.2230 557493.0868 0.8855 1.0415 PRESSURE: 4680600 -18.5359 56.6728 -124.192 56.6736 65.0491 -31.5853 -124.192 -31.5856 150.16 GPRESSURE: 4680600 75.2468 56.6577 -92.1802 61.2804 91.1259 -97.4431 -159.481 5.38696 118.673 PRESSAVG: 4680600 -48.2879 17.3252 77.0288 17.3252 -14.3073 19.1026 77.0287 19.1027 62.8536 GPRESSAVG: 4680600 -49.6656 17.1815 77.3976 18.7301 -14.6585 20.3669 77.2001 21.5564 64.0962 TIMING: 4680600 CPU: 13895.3, 0.00296916/step Wall: 13895.3, 0.00296916/step, 0.263431 hours remaining, 209.773438 MB of memory in use. ENERGY: 4680600 762.9316 2068.3897 1941.8200 105.6935 -206420.1513 18023.8857 0.0000 0.0000 34131.5695 -149385.8612 298.0795 -183517.4307 -149288.3630 299.1628 65.5576 95.0154 557297.8138 0.0862 -0.0759 PRESSURE: 4680800 22.6722 138.172 3.6702 138.171 141.334 -94.6974 3.66935 -94.697 51.1046 GPRESSURE: 4680800 45.2699 161.404 60.7255 204.594 109.088 -142.907 -6.16156 -36.5333 162.788 PRESSAVG: 4680800 -1.81628 -7.27457 2.58769 -7.27458 28.4815 -18.4567 2.58759 -18.4568 -14.6578 GPRESSAVG: 4680800 -1.01629 -9.67489 0.403466 -7.02982 27.696 -20.2881 3.43676 -18.591 -14.9068 TIMING: 4680800 CPU: 13895.9, 0.00295924/step Wall: 13895.9, 0.00295924/step, 0.262386 hours remaining, 209.773438 MB of memory in use. ENERGY: 4680800 741.3237 2019.9727 1948.9802 111.8554 -206535.6142 18010.6007 0.0000 0.0000 34258.5302 -149444.3513 299.1883 -183702.8815 -149352.8839 299.2497 71.7037 105.7153 557296.0724 4.0025 3.9243 PRESSURE: 4681000 -413.78 -94.0168 85.7942 -94.0181 -156.666 -54.448 85.7943 -54.4472 -321.468 GPRESSURE: 4681000 -398.009 -113.671 75.0918 -145.455 -87.3249 -59.8671 65.1512 2.17363 -310.05 PRESSAVG: 4681000 -32.4271 35.8324 45.3878 35.8325 7.8701 -31.7029 45.3878 -31.7028 -20.694 GPRESSAVG: 4681000 -32.9346 36.095 45.542 37.7095 9.14423 -30.3045 44.1139 -32.7435 -21.5203 TIMING: 4681000 CPU: 13896.5, 0.00293905/step Wall: 13896.5, 0.00293905/step, 0.260433 hours remaining, 209.773438 MB of memory in use. ENERGY: 4681000 796.0239 2085.6144 1931.3793 108.9855 -205854.4816 17454.8835 0.0000 0.0000 34240.9170 -149236.6780 299.0344 -183477.5950 -149135.5089 299.4015 -297.3046 -265.1278 558521.1526 -15.0837 -15.1036 PRESSURE: 4681200 -52.0316 20.1664 181.097 20.1667 160.722 -123.044 181.097 -123.044 -40.7132 GPRESSURE: 4681200 10.0838 92.0518 66.6691 -72.3458 164.866 -101.481 258.637 -93.1949 -11.9123 PRESSAVG: 4681200 -9.77534 -23.7258 15.3324 -23.7257 11.3648 17.013 15.3323 17.013 -2.07238 GPRESSAVG: 4681200 -8.67087 -24.003 15.6831 -24.2139 11.2407 16.4541 15.9724 17.3454 -2.68725 TIMING: 4681200 CPU: 13897.1, 0.00295928/step Wall: 13897.1, 0.00295928/step, 0.262061 hours remaining, 209.773438 MB of memory in use. ENERGY: 4681200 769.1792 2045.7984 1925.0573 108.9402 -206394.0673 17938.1965 0.0000 0.0000 34360.4049 -149246.4907 300.0780 -183606.8955 -149144.8185 299.3334 22.6591 54.3457 558012.6002 -0.1610 -0.0391 PRESSURE: 4681400 -132.026 -8.48783 -49.404 -8.48714 -282.253 -120.235 -49.4049 -120.236 222.556 GPRESSURE: 4681400 -62.7783 -14.7413 -89.9037 -82.943 -300.551 -142.214 -44.7877 -10.2355 269.532 PRESSAVG: 4681400 -80.333 -45.9679 26.5132 -45.968 -17.5241 35.0438 26.5133 35.0438 28.8518 GPRESSAVG: 4681400 -80.1351 -44.4903 26.9941 -47.911 -17.8957 36.5348 27.0874 34.3987 29.084 TIMING: 4681400 CPU: 13897.7, 0.00295519/step Wall: 13897.7, 0.00295519/step, 0.261535 hours remaining, 209.773438 MB of memory in use. ENERGY: 4681400 759.0141 2054.9454 1957.0860 99.5190 -206081.9950 17831.0870 0.0000 0.0000 34227.7470 -149152.5965 298.9194 -183380.3435 -149059.3448 299.2236 -63.9078 -31.2656 558458.3986 -23.0018 -22.9823 PRESSURE: 4681600 -201.659 144.697 1.43869 144.697 -96.7893 87.2006 1.4388 87.2 -93.6028 GPRESSURE: 4681600 -190.572 180.391 58.5098 176.966 -32.9199 -27.8632 -43.6957 146.675 -83.2339 PRESSAVG: 4681600 -54.4406 76.8034 20.688 76.8032 68.1762 -36.7455 20.688 -36.7455 -13.9577 GPRESSAVG: 4681600 -54.7246 77.3695 20.8319 78.1974 68.4866 -36.775 18.7608 -36.6297 -13.8457 TIMING: 4681600 CPU: 13898.3, 0.00294432/step Wall: 13898.3, 0.00294432/step, 0.260409 hours remaining, 210.031250 MB of memory in use. ENERGY: 4681600 765.7965 2109.4551 1918.4112 117.0260 -205858.0078 17518.9753 0.0000 0.0000 34289.2723 -149139.0714 299.4567 -183428.3437 -149036.8882 298.4939 -130.6839 -102.2419 557429.6025 -0.0740 -0.0279 PRESSURE: 4681800 83.5267 -36.6748 -58.828 -36.6737 -171.931 -263.783 -58.8277 -263.787 -312.331 GPRESSURE: 4681800 80.9997 -85.0666 -105.568 -84.4081 -153.486 -208.314 -57.6989 -274.186 -233.517 PRESSAVG: 4681800 -35.6336 0.590929 11.1089 0.590842 19.1494 8.47284 11.1089 8.47284 5.69254 GPRESSAVG: 4681800 -36.7993 -1.69801 11.0239 2.05699 19.4367 7.20251 13.2557 9.22705 7.33096 TIMING: 4681800 CPU: 13898.9, 0.00294817/step Wall: 13898.9, 0.00294817/step, 0.260586 hours remaining, 210.031250 MB of memory in use. ENERGY: 4681800 768.0298 2050.5151 1959.2646 128.4541 -205911.5511 17549.8727 0.0000 0.0000 34280.1238 -149175.2910 299.3768 -183455.4148 -149077.4394 299.7026 -133.5783 -102.0011 557646.1971 -3.5972 -3.3439 PRESSURE: 4682000 -79.84 110.247 33.0482 110.248 98.0714 22.075 33.0469 22.0755 241.618 GPRESSURE: 4682000 -64.9054 134.052 35.4269 55.9179 155.574 -48.2062 40.5204 114.429 265.044 PRESSAVG: 4682000 48.8195 27.5405 6.66856 27.5405 -27.826 -7.58651 6.66857 -7.58665 -1.34885 GPRESSAVG: 4682000 49.4039 29.1595 7.86553 25.2002 -27.9947 -7.52778 4.74212 -4.76384 -2.06685 TIMING: 4682000 CPU: 13899.4, 0.00295513/step Wall: 13899.4, 0.00295513/step, 0.261037 hours remaining, 210.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4682000 739.4248 2121.7176 1961.7383 112.0399 -206683.7428 17957.3812 0.0000 0.0000 34440.9896 -149350.4512 300.7817 -183791.4409 -149253.4949 299.5539 86.6165 118.5709 554918.3111 6.5482 6.4475 PRESSURE: 4682200 -148.79 106.926 -56.1006 106.927 167.883 -10.1114 -56.101 -10.1113 -45.9375 GPRESSURE: 4682200 -71.9645 31.7823 76.8545 109.428 152.237 -1.78111 -127.469 -22.3888 13.7126 PRESSAVG: 4682200 15.1711 38.9959 -6.64155 38.9959 0.101698 -14.1156 -6.64152 -14.1155 -20.2961 GPRESSAVG: 4682200 16.1195 38.8581 -7.52473 39.0037 0.183771 -13.6265 -4.40327 -15.8762 -21.4648 TIMING: 4682200 CPU: 13900, 0.00295439/step Wall: 13900, 0.00295439/step, 0.260807 hours remaining, 210.031250 MB of memory in use. ENERGY: 4682200 783.2943 2111.1972 1911.5416 118.7032 -206256.9006 17631.2403 0.0000 0.0000 34545.1632 -149155.7608 301.6915 -183700.9240 -149058.9895 299.7799 -8.9481 31.3285 554834.9211 -1.6744 -1.7205 PRESSURE: 4682400 68.0482 -37.4758 -171.078 -37.476 -124.516 50.7722 -171.077 50.7721 21.038 GPRESSURE: 4682400 64.5944 14.2678 -156.76 -97.887 -66.5109 49.8668 -56.008 -55.4048 62.5052 PRESSAVG: 4682400 34.4226 17.8517 -18.6392 17.8517 -20.2645 27.5597 -18.6392 27.5598 -15.6153 GPRESSAVG: 4682400 35.0527 16.7538 -16.5761 20.0181 -20.5363 27.1569 -21.7296 27.3959 -15.8748 TIMING: 4682400 CPU: 13900.6, 0.00292392/step Wall: 13900.6, 0.00292392/step, 0.257955 hours remaining, 210.031250 MB of memory in use. ENERGY: 4682400 755.7994 2123.7775 1943.3821 108.0451 -205950.0424 17651.9153 0.0000 0.0000 34187.8449 -149179.2782 298.5710 -183367.1232 -149073.6706 299.6252 -11.8100 20.1962 556410.2231 -0.4858 -0.4528 PRESSURE: 4682600 52.7911 73.2298 65.0002 73.2306 -110.049 7.70177 65.0003 7.70056 -11.638 GPRESSURE: 4682600 119.627 110.901 30.2016 37.8979 -106.291 69.7823 60.4747 43.2429 18.8532 PRESSAVG: 4682600 -26.5173 75.5401 79.517 75.5401 -54.5077 -41.2988 79.517 -41.2989 60.2104 GPRESSAVG: 4682600 -26.5007 75.8741 75.3244 73.5915 -54.8297 -38.6797 83.5055 -43.4572 60.4963 TIMING: 4682600 CPU: 13901.2, 0.00293458/step Wall: 13901.2, 0.00293458/step, 0.258732 hours remaining, 210.031250 MB of memory in use. ENERGY: 4682600 775.1536 2183.7233 1907.4815 109.6333 -206159.2969 17771.0195 0.0000 0.0000 34283.6705 -149128.6153 299.4078 -183412.2858 -149032.9607 299.2935 -22.9653 10.7296 558032.3444 -6.9382 -6.9447 PRESSURE: 4682800 -14.4103 -28.0644 -17.3594 -28.0639 -92.6914 27.7344 -17.3593 27.7345 62.8908 GPRESSURE: 4682800 22.316 -39.2387 25.1178 6.45093 -53.3997 37.1531 -25.8631 46.085 92.2142 PRESSAVG: 4682800 -23.4255 -8.33313 32.1544 -8.33312 3.85409 -16.1369 32.1543 -16.137 8.92142 GPRESSAVG: 4682800 -23.7979 -6.24488 34.5457 -6.8477 3.84175 -16.24 29.2195 -14.8578 8.3718 TIMING: 4682800 CPU: 13901.8, 0.00295419/step Wall: 13901.8, 0.00295419/step, 0.260297 hours remaining, 210.031250 MB of memory in use. ENERGY: 4682800 780.7288 2155.0987 1918.7506 115.4911 -206357.3662 17924.2686 0.0000 0.0000 34330.7416 -149132.2868 299.8189 -183463.0284 -149030.8547 299.6331 -14.7370 20.3768 557654.1099 -3.5500 -3.8615 PRESSURE: 4683000 190.678 -47.2185 195.87 -47.2203 -239.653 37.3537 195.87 37.352 31.6001 GPRESSURE: 4683000 191.824 -88.7901 174.288 -16.8079 -156.57 21.7258 181.104 10.7533 48.991 PRESSAVG: 4683000 -87.3339 40.4725 22.4585 40.4726 3.41905 13.8468 22.4585 13.8467 48.483 GPRESSAVG: 4683000 -87.5399 40.1728 23.0159 39.6084 3.87619 13.4413 24.7575 14.1499 48.5339 TIMING: 4683000 CPU: 13902.4, 0.0029811/step Wall: 13902.4, 0.0029811/step, 0.262502 hours remaining, 210.031250 MB of memory in use. ENERGY: 4683000 725.9375 2108.9667 1918.7218 108.5131 -206469.0938 17943.6475 0.0000 0.0000 34351.4426 -149311.8645 299.9997 -183663.3071 -149213.7277 299.6693 -5.7917 28.0815 557677.0548 -11.8106 -11.7100 PRESSURE: 4683200 38.9481 169.49 -43.4726 169.49 -168.84 40.5509 -43.4719 40.5512 55.3093 GPRESSURE: 4683200 56.3546 114.626 18.9552 199.169 -94.6765 27.5455 -35.7068 20.0537 54.9136 PRESSAVG: 4683200 -39.144 40.9601 25.1924 40.9602 -0.348378 6.92777 25.1924 6.92779 110.658 GPRESSAVG: 4683200 -40.1153 39.9624 26.8267 38.9283 -1.22171 4.91471 22.2531 5.05881 112.594 TIMING: 4683200 CPU: 13903, 0.00294127/step Wall: 13903, 0.00294127/step, 0.258832 hours remaining, 210.031250 MB of memory in use. ENERGY: 4683200 754.1006 2123.7706 1924.8188 122.0300 -206466.2161 17948.8421 0.0000 0.0000 34333.4663 -149259.1877 299.8427 -183592.6541 -149155.7934 299.4545 -24.8610 5.5306 556574.6300 23.7220 23.7525 PRESSURE: 4683400 3.00415 -142.126 56.4728 -142.126 199.228 46.709 56.4704 46.7089 234.96 GPRESSURE: 4683400 21.3363 -175.985 40.4049 -94.5035 216.736 17.3214 138.771 -8.26499 297.535 PRESSAVG: 4683400 -34.878 -9.86577 11.3753 -9.86574 -12.3183 -12.7132 11.3753 -12.7131 62.8182 GPRESSAVG: 4683400 -34.6179 -10.1436 11.9796 -8.99725 -10.8961 -12.9269 11.0005 -11.4789 61.1252 TIMING: 4683400 CPU: 13903.6, 0.00296328/step Wall: 13903.6, 0.00296328/step, 0.260604 hours remaining, 210.031250 MB of memory in use. ENERGY: 4683400 736.8237 2115.1941 1931.8965 115.9425 -206560.3016 17996.0441 0.0000 0.0000 34535.1424 -149129.2584 301.6040 -183664.4007 -149028.9229 300.0610 145.7307 178.5359 554975.7635 5.2073 5.2037 PRESSURE: 4683600 -231.075 -33.5093 110.076 -33.51 -200.486 -51.2174 110.076 -51.2163 18.6579 GPRESSURE: 4683600 -233.436 -48.1302 124.41 -31.1793 -126.835 -117.185 33.2021 -51.0374 50.0134 PRESSAVG: 4683600 -11.0827 -50.2535 -30.0523 -50.2534 8.60856 -6.18724 -30.0524 -6.18727 19.4474 GPRESSAVG: 4683600 -10.794 -49.7193 -32.8961 -49.9989 8.38324 -4.23318 -28.4766 -6.07777 19.8825 TIMING: 4683600 CPU: 13904.2, 0.00297273/step Wall: 13904.2, 0.00297273/step, 0.26127 hours remaining, 210.031250 MB of memory in use. ENERGY: 4683600 757.7880 2096.8766 1963.3628 115.4731 -206281.5706 17665.7299 0.0000 0.0000 34378.9766 -149303.3636 300.2402 -183682.3402 -149199.9927 300.2425 -137.6343 -103.4192 555847.9488 5.6577 5.8239 PRESSURE: 4683800 22.9673 30.6992 -35.6772 30.6984 18.475 -44.0301 -35.6765 -44.0301 -26.0055 GPRESSURE: 4683800 10.3952 4.50255 -37.705 11.0832 62.0489 -55.0712 -120.828 -39.2814 31.0587 PRESSAVG: 4683800 -11.2872 1.11527 -22.2549 1.11527 13.972 4.14698 -22.255 4.14703 9.5369 GPRESSAVG: 4683800 -11.7403 2.39969 -24.0398 1.44548 13.4067 4.36867 -22.8082 4.83822 10.2312 TIMING: 4683800 CPU: 13904.8, 0.00296533/step Wall: 13904.8, 0.00296533/step, 0.260455 hours remaining, 210.031250 MB of memory in use. ENERGY: 4683800 732.0903 2076.4021 1926.0103 129.8116 -206543.8180 17729.9409 0.0000 0.0000 34653.4108 -149296.1520 302.6369 -183949.5628 -149192.5921 299.8043 5.1456 34.5009 556089.9898 4.0739 3.9659 PRESSURE: 4684000 -247.944 18.5673 -30.7502 18.5683 -176.954 -199.691 -30.7504 -199.69 -511.073 GPRESSURE: 4684000 -215.597 58.4942 -96.7867 0.445542 -195.978 -193.33 15.8448 -177.093 -423.154 PRESSAVG: 4684000 -2.36617 -6.50465 -52.2435 -6.50461 -28.7197 -20.9615 -52.2435 -20.9615 51.2466 GPRESSAVG: 4684000 -1.83469 -7.74611 -51.191 -7.84946 -28.7785 -23.4428 -50.098 -20.023 51.1668 TIMING: 4684000 CPU: 13905.4, 0.00294673/step Wall: 13905.4, 0.00294673/step, 0.258657 hours remaining, 210.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4684000 772.3650 2137.0635 1953.3749 114.8363 -205807.1299 17437.1600 0.0000 0.0000 34148.8033 -149243.5268 298.2300 -183392.3301 -149150.0878 300.0701 -311.9903 -278.2430 558457.6118 6.7202 6.8512 PRESSURE: 4684200 -47.2763 22.1002 -143.925 22.1008 -64.2772 -257.51 -143.924 -257.51 -258.974 GPRESSURE: 4684200 -20.6068 -14.9616 -157.911 -12.7595 -48.6092 -254.422 -130.977 -215.628 -197.058 PRESSAVG: 4684200 115.477 -22.8103 -14.8552 -22.8103 -14.9852 -49.4408 -14.8553 -49.4409 -56.8874 GPRESSAVG: 4684200 113.83 -23.7737 -14.097 -18.7285 -14.3393 -47.4105 -17.2324 -51.9326 -55.7557 TIMING: 4684200 CPU: 13905.9, 0.00293006/step Wall: 13905.9, 0.00293006/step, 0.257031 hours remaining, 210.031250 MB of memory in use. ENERGY: 4684200 762.1170 2076.8132 1962.2272 112.6412 -206160.7899 17665.6324 0.0000 0.0000 34246.8959 -149334.4628 299.0867 -183581.3588 -149232.8529 299.1483 -123.5092 -88.7579 557965.9816 14.5349 14.5784 LDB: ============= START OF LOAD BALANCING ============== 13909.5 LDB: ============== END OF LOAD BALANCING =============== 13909.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13909.5 LDB: ============= START OF LOAD BALANCING ============== 13909.8 LDB: Largest compute 4772 load 0.020734 is 17.5% of average load 0.118254 LDB: Average compute 0.001736 is 1.5% of average load 0.118254 LDB: TIME 13909.8 LOAD: AVG 0.118254 MAX 0.197649 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.297 MB LDB: TIME 13909.8 LOAD: AVG 0.118254 MAX 0.197649 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.297 MB LDB: TIME 13909.8 LOAD: AVG 0.118254 MAX 0.197649 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.297 MB LDB: ============== END OF LOAD BALANCING =============== 13909.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13909.8 PRESSURE: 4684400 157.614 -40.2648 92.4561 -40.2643 -128.159 -79.4731 92.4564 -79.4734 -90.2626 GPRESSURE: 4684400 161.779 8.31452 15.8574 -48.6923 -62.8531 -99.0762 173.368 47.9229 -62.5752 PRESSAVG: 4684400 56.063 7.45674 -32.5264 7.45668 -69.8642 6.08926 -32.5264 6.08921 -17.0988 GPRESSAVG: 4684400 57.2309 7.71602 -31.6774 5.77508 -69.7545 5.13045 -31.2451 6.84858 -18.1232 TIMING: 4684400 CPU: 13906.5, 0.00300211/step Wall: 13906.5, 0.00300211/step, 0.263185 hours remaining, 208.550781 MB of memory in use. ENERGY: 4684400 738.2821 2099.1670 1938.8209 117.6203 -206697.7269 18036.4365 0.0000 0.0000 34243.8125 -149523.5874 299.0597 -183767.3999 -149423.4112 298.7066 -20.2691 12.1168 556974.4986 -10.3000 -10.2156 PRESSURE: 4684600 142.824 24.9362 53.6213 24.9368 -108.482 -5.74548 53.6203 -5.74717 -78.6947 GPRESSURE: 4684600 186.806 14.1831 -26.9106 54.4205 -95.6787 15.3372 108.581 -23.1218 -31.6787 PRESSAVG: 4684600 107.966 14.3913 2.24123 14.3912 -90.284 -2.33464 2.24122 -2.33476 13.7453 GPRESSAVG: 4684600 107.919 16.2163 1.25888 12.6401 -90.419 -3.69389 3.00611 -0.225833 14.0428 TIMING: 4684600 CPU: 13907.1, 0.00295448/step Wall: 13907.1, 0.00295448/step, 0.258845 hours remaining, 208.753906 MB of memory in use. ENERGY: 4684600 757.1565 2086.0569 1940.8063 114.5156 -206450.8938 17731.9632 0.0000 0.0000 34223.0992 -149597.2961 298.8788 -183820.3954 -149505.8262 298.4480 -14.7842 19.8162 556515.2523 10.4757 10.5143 PRESSURE: 4684800 -22.1974 -22.1559 -68.1675 -22.1562 -69.6687 -16.1033 -68.1673 -16.1051 111.261 GPRESSURE: 4684800 4.18723 24.5397 -78.7827 -4.47793 -22.242 33.7868 -44.6237 3.89017 141.74 PRESSAVG: 4684800 14.3267 -9.37685 -16.4696 -9.37682 -38.1626 -27.2585 -16.4695 -27.2584 61.6788 GPRESSAVG: 4684800 15.0167 -8.86776 -15.801 -7.55297 -37.6182 -23.5376 -17.5466 -28.722 60.8029 TIMING: 4684800 CPU: 13907.7, 0.00293019/step Wall: 13907.7, 0.00293019/step, 0.256555 hours remaining, 208.753906 MB of memory in use. ENERGY: 4684800 747.0540 2098.4282 1908.4427 121.1847 -206022.4551 17615.6829 0.0000 0.0000 34131.3068 -149400.3559 298.0772 -183531.6627 -149296.0328 299.0022 6.4649 41.2284 556956.3664 12.6143 12.7338 PRESSURE: 4685000 -216.858 -48.8665 -90.6966 -48.8681 71.7003 -18.5357 -90.6962 -18.535 69.2624 GPRESSURE: 4685000 -251.72 71.3146 -113.626 -60.3429 152.985 59.7732 -159.679 -69.8384 119.022 PRESSAVG: 4685000 -23.6234 18.3333 -57.9367 18.3332 -44.3237 -11.5995 -57.9367 -11.5995 37.0645 GPRESSAVG: 4685000 -23.9305 16.6908 -57.2005 18.0948 -44.0609 -14.9656 -57.1318 -12.0004 37.0075 TIMING: 4685000 CPU: 13908.3, 0.00295747/step Wall: 13908.3, 0.00295747/step, 0.258779 hours remaining, 208.753906 MB of memory in use. ENERGY: 4685000 777.2106 2161.7285 1940.7226 112.6496 -206586.1431 17758.2863 0.0000 0.0000 34273.6212 -149561.9245 299.3201 -183835.5456 -149467.1415 299.5284 -25.2983 6.7625 555653.6386 -10.2942 -10.3279 PRESSURE: 4685200 -157.046 -75.9737 -34.1953 -75.9742 -102.567 74.9513 -34.1945 74.9513 -0.129762 GPRESSURE: 4685200 -122.881 -59.801 -19.7579 -122.078 -55.8353 -9.5546 58.4951 166.115 5.29045 PRESSAVG: 4685200 81.3864 -34.702 -17.122 -34.702 -44.5212 1.83221 -17.122 1.83229 -4.08604 GPRESSAVG: 4685200 80.8268 -36.5094 -17.2917 -32.7283 -44.159 2.85856 -15.8196 2.24639 -3.71555 TIMING: 4685200 CPU: 13908.9, 0.00297264/step Wall: 13908.9, 0.00297264/step, 0.259941 hours remaining, 208.753906 MB of memory in use. ENERGY: 4685200 760.6936 2148.2019 1926.6864 126.4809 -206356.8376 17776.4761 0.0000 0.0000 34084.6014 -149533.6974 297.6693 -183618.2988 -149448.0175 298.9414 -86.5809 -57.8085 556496.2207 10.9264 10.9841 PRESSURE: 4685400 -219.98 -82.2923 -70.2417 -82.2941 115.359 6.94686 -70.2417 6.94618 -76.5036 GPRESSURE: 4685400 -193.813 -26.5037 -135.341 -161.233 147.22 -14.9568 -3.29486 115.198 -22.9692 PRESSAVG: 4685400 56.8901 8.13552 -36.5413 8.13548 7.34248 60.3014 -36.5413 60.3015 -4.13392 GPRESSAVG: 4685400 57.6156 9.99009 -38.9707 5.76694 6.49191 60.7895 -37.9934 59.2866 -3.49609 TIMING: 4685400 CPU: 13909.5, 0.00294273/step Wall: 13909.5, 0.00294273/step, 0.257162 hours remaining, 208.753906 MB of memory in use. ENERGY: 4685400 723.3385 2089.9123 1949.6452 113.1234 -206133.5880 17843.9558 0.0000 0.0000 34071.4992 -149342.1136 297.5549 -183413.6129 -149241.0323 298.4606 -60.3748 -23.1872 556952.9402 20.0329 20.2038 PRESSURE: 4685600 16.5634 24.8016 2.71618 24.802 29.1137 33.9109 2.71516 33.9099 -189.103 GPRESSURE: 4685600 61.3434 24.0811 -10.2552 -13.1942 64.4929 121.023 -3.50787 -0.622033 -180.356 PRESSAVG: 4685600 63.1989 22.2516 30.6498 22.2515 4.66767 25.0097 30.6498 25.0097 -86.7293 GPRESSAVG: 4685600 62.6439 22.3284 30.4444 20.986 4.15994 21.6172 30.9434 25.7108 -85.8754 TIMING: 4685600 CPU: 13910.1, 0.00294035/step Wall: 13910.1, 0.00294035/step, 0.256791 hours remaining, 208.753906 MB of memory in use. ENERGY: 4685600 731.2080 2072.3110 1912.7669 110.9977 -206293.0210 17733.5145 0.0000 0.0000 34406.1497 -149326.0731 300.4775 -183732.2229 -149225.9929 298.9297 -47.8085 -18.1731 556419.9636 -6.2876 -6.3572 PRESSURE: 4685800 -68.8462 9.20081 -92.042 9.2002 74.9781 -82.5635 -92.0429 -82.565 238.034 GPRESSURE: 4685800 -69.1563 -85.9282 -0.435946 99.9318 139.19 -23.0193 -163.893 -57.9981 278.991 PRESSAVG: 4685800 -33.7762 54.8719 37.7816 54.8718 54.1366 -8.5229 37.7816 -8.52293 -35.0955 GPRESSAVG: 4685800 -32.5799 55.4946 39.5213 56.4788 54.0853 -4.94521 36.9563 -8.24484 -35.5609 TIMING: 4685800 CPU: 13910.7, 0.00292836/step Wall: 13910.7, 0.00292836/step, 0.255581 hours remaining, 208.753906 MB of memory in use. ENERGY: 4685800 748.1188 2102.3468 1938.2135 113.6652 -206475.7923 17935.6844 0.0000 0.0000 34369.6520 -149268.1117 300.1587 -183637.7636 -149162.3544 299.3128 81.3885 116.3416 556957.8195 -4.9117 -4.6852 PRESSURE: 4686000 -29.4419 34.0651 224.536 34.0644 -102.959 -99.4985 224.535 -99.4989 -35.627 GPRESSURE: 4686000 -19.2651 64.2256 116.511 15.4281 -81.2244 -36.0839 298.835 -138.936 33.7854 PRESSAVG: 4686000 39.5965 9.49438 2.67676 9.49438 -88.0767 -16.099 2.67674 -16.099 1.76562 GPRESSAVG: 4686000 40.2261 10.1099 0.783024 6.77744 -87.5744 -18.3073 5.16928 -13.7463 0.678629 TIMING: 4686000 CPU: 13911.2, 0.00290708/step Wall: 13911.2, 0.00290708/step, 0.253562 hours remaining, 208.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4686000 763.1623 2126.1934 1930.1541 110.7568 -206123.1892 17700.5078 0.0000 0.0000 34224.9384 -149267.4763 298.8949 -183492.4147 -149172.6649 299.2350 -56.0094 -22.2347 557263.1857 -15.5715 -15.5566 PRESSURE: 4686200 -84.5685 146.095 -1.51944 146.094 -171.758 -31.1305 -1.51927 -31.1297 -90.1698 GPRESSURE: 4686200 -71.1787 167.046 -20.9727 155.022 -134.825 57.6359 -65.5615 -47.4934 -37.4574 PRESSAVG: 4686200 -0.586109 0.415763 32.04 0.415976 -17.2377 -18.6077 32.0399 -18.6076 -1.39412 GPRESSAVG: 4686200 -1.60777 -1.60234 33.9365 2.4179 -18.1731 -15.4493 30.8703 -23.6744 0.781198 TIMING: 4686200 CPU: 13911.8, 0.00292459/step Wall: 13911.8, 0.00292459/step, 0.254927 hours remaining, 208.753906 MB of memory in use. ENERGY: 4686200 778.6037 2066.5077 1937.2259 102.5238 -205919.1244 17828.2299 0.0000 0.0000 34122.3915 -149083.6419 297.9993 -183206.0334 -148991.7591 299.4532 -115.4989 -81.1537 558107.2847 -6.4060 -6.3332 PRESSURE: 4686400 -112.577 8.59277 -151.682 8.59231 119.054 84.6058 -151.684 84.6039 -395.446 GPRESSURE: 4686400 -90.655 41.606 -182.729 -3.32358 116.688 46.2675 -212.023 42.0531 -302.893 PRESSAVG: 4686400 101.678 16.5132 2.01916 16.5132 -12.5913 -2.39435 2.01915 -2.39441 -54.5514 GPRESSAVG: 4686400 102.151 17.58 1.67013 16.2895 -11.3709 -4.5494 1.07771 0.146655 -56.1761 TIMING: 4686400 CPU: 13912.4, 0.00293344/step Wall: 13912.4, 0.00293344/step, 0.255535 hours remaining, 208.753906 MB of memory in use. ENERGY: 4686400 764.4803 2069.7630 1925.7329 120.3170 -205629.4974 17415.6194 0.0000 0.0000 34273.9724 -149059.6124 299.3231 -183333.5848 -148961.8540 299.1233 -129.6560 -92.2865 557758.1636 11.5116 11.5347 PRESSURE: 4686600 -4.38521 92.7827 112.9 92.7819 175.251 -29.6056 112.899 -29.6055 -38.2405 GPRESSURE: 4686600 -12.6731 173.296 66.1799 49.3868 146.454 -52.5087 182.765 22.2448 104.179 PRESSAVG: 4686600 38.9884 -5.4114 -25.7 -5.41146 -49.2424 13.3461 -25.7 13.346 23.8725 GPRESSAVG: 4686600 38.4087 -5.56299 -25.8339 -5.20083 -50.3049 12.5058 -26.4818 14.418 25.2507 TIMING: 4686600 CPU: 13913, 0.00294847/step Wall: 13913, 0.00294847/step, 0.256681 hours remaining, 208.753906 MB of memory in use. ENERGY: 4686600 735.4481 2109.9906 1896.0885 112.4607 -206031.1316 17678.7900 0.0000 0.0000 34326.6901 -149171.6636 299.7835 -183498.3538 -149073.5469 299.4901 44.2083 79.3200 556551.4177 4.5395 4.4515 PRESSURE: 4686800 -66.8691 -31.6936 18.7746 -31.6942 28.105 -75.7931 18.7761 -75.7933 78.8464 GPRESSURE: 4686800 -68.9774 -76.5007 79.8445 46.214 110.544 -38.9101 -59.4222 -81.519 96.4257 PRESSAVG: 4686800 47.8582 -57.5253 32.8967 -57.5254 -50.9277 -17.1716 32.8967 -17.1716 19.0397 GPRESSAVG: 4686800 47.8052 -59.5559 32.3898 -57.6552 -49.1124 -16.1775 33.5373 -19.1188 17.4806 TIMING: 4686800 CPU: 13913.6, 0.00293399/step Wall: 13913.6, 0.00293399/step, 0.255257 hours remaining, 208.753906 MB of memory in use. ENERGY: 4686800 744.0576 2074.9991 1937.3987 119.5672 -206164.3358 17851.4452 0.0000 0.0000 34249.4326 -149187.4354 299.1088 -183436.8680 -149088.4260 298.8519 13.3608 45.9974 557029.1751 5.3234 5.3911 PRESSURE: 4687000 68.6282 27.7323 64.8709 27.7333 -170.665 -4.36542 64.8712 -4.36491 -170.05 GPRESSURE: 4687000 131.478 11.2359 -1.76101 1.17752 -145.142 78.9519 133.132 27.6616 -167.48 PRESSAVG: 4687000 81.6321 -32.7819 -15.1861 -32.7819 -55.6523 -12.5438 -15.1861 -12.5437 -62.7429 GPRESSAVG: 4687000 82.4973 -31.1449 -13.5921 -31.668 -55.7109 -12.2893 -16.4088 -13.6152 -63.6894 TIMING: 4687000 CPU: 13914.2, 0.00294564/step Wall: 13914.2, 0.00294564/step, 0.256107 hours remaining, 208.753906 MB of memory in use. ENERGY: 4687000 729.6926 2131.7207 1948.7371 120.2738 -206029.8066 17591.1257 0.0000 0.0000 34256.4038 -149251.8530 299.1697 -183508.2568 -149158.0379 299.2206 -90.6958 -60.3810 559051.2769 -12.2544 -12.3010 PRESSURE: 4687200 74.9572 55.2422 67.0242 55.2427 -68.9538 -66.8637 67.0251 -66.8646 -131.718 GPRESSURE: 4687200 157.422 107.314 86.5306 31.4937 -33.8051 -44.5588 8.13085 -88.3733 -152.133 PRESSAVG: 4687200 12.2579 -19.6736 36.4927 -19.6738 7.02272 -44.2002 36.4926 -44.2003 -10.1298 GPRESSAVG: 4687200 11.856 -20.1881 35.8681 -18.9652 5.22231 -45.3731 36.8461 -41.8361 -7.91065 TIMING: 4687200 CPU: 13914.8, 0.00294687/step Wall: 13914.8, 0.00294687/step, 0.25605 hours remaining, 208.753906 MB of memory in use. ENERGY: 4687200 725.2669 2071.6095 1930.6988 116.6738 -205684.6578 17561.2741 0.0000 0.0000 34120.9029 -149158.2318 297.9863 -183279.1347 -149069.3474 299.1757 -41.9048 -9.5052 557622.9998 3.0503 3.0559 PRESSURE: 4687400 -122.567 39.7952 -6.38728 39.7967 113.318 88.4754 -6.38736 88.4766 134.999 GPRESSURE: 4687400 -66.5173 22.3619 -36.8813 55.9454 105.587 29.4162 17.9281 68.8619 182.051 PRESSAVG: 4687400 31.92 41.5183 -17.2762 41.5184 54.6974 -9.96082 -17.2762 -9.96082 -21.873 GPRESSAVG: 4687400 32.5122 40.516 -18.1304 40.6608 54.374 -10.881 -15.9472 -10.5703 -22.1951 TIMING: 4687400 CPU: 13915.4, 0.00292102/step Wall: 13915.4, 0.00292102/step, 0.253642 hours remaining, 208.753906 MB of memory in use. ENERGY: 4687400 751.9822 2140.7312 1919.1469 122.7167 -206541.2611 17999.5371 0.0000 0.0000 34402.0906 -149205.0564 300.4420 -183607.1470 -149107.4798 299.6956 41.9165 73.7069 557103.8093 21.5814 21.5637 PRESSURE: 4687600 -199.64 40.5274 -138.516 40.5272 -336.58 -102.073 -138.516 -102.071 -403.455 GPRESSURE: 4687600 -140.442 39.7828 -124.512 36.6169 -347.194 -96.9888 -147.637 -68.2008 -352.053 PRESSAVG: 4687600 5.79965 -28.3345 -0.130743 -28.3345 -29.5709 51.1181 -0.13075 51.1182 -16.5891 GPRESSAVG: 4687600 5.56269 -27.828 -0.91412 -27.5967 -27.9627 52.8712 -0.237026 49.7307 -17.1123 TIMING: 4687600 CPU: 13915.9, 0.00293116/step Wall: 13915.9, 0.00293116/step, 0.25436 hours remaining, 208.753906 MB of memory in use. ENERGY: 4687600 782.8824 2150.9564 1903.7026 110.9943 -205580.7475 17305.0610 0.0000 0.0000 34289.4086 -149037.7421 299.4579 -183327.1506 -148941.0904 299.2591 -313.2248 -279.8966 557855.8643 -13.4535 -13.1708 PRESSURE: 4687800 134.005 94.5929 -28.2737 94.5924 -55.3916 -36.085 -28.2749 -36.0849 60.4722 GPRESSURE: 4687800 198.963 123.525 -3.34655 104.721 -41.6521 27.2643 26.677 -55.6592 71.9413 PRESSAVG: 4687800 -4.96752 -5.52062 59.6571 -5.52057 10.1232 37.726 59.6572 37.7261 9.06288 GPRESSAVG: 4687800 -5.01714 -4.69039 61.2515 -7.45612 9.53472 37.1772 58.5663 37.5215 9.39765 TIMING: 4687800 CPU: 13916.5, 0.00294417/step Wall: 13916.5, 0.00294417/step, 0.255325 hours remaining, 208.753906 MB of memory in use. ENERGY: 4687800 776.7645 2130.8135 1922.2695 111.0889 -206118.0956 17869.0469 0.0000 0.0000 34269.8397 -149038.2726 299.2870 -183308.1123 -148932.5702 300.2283 46.3617 76.4173 557670.0798 4.7395 4.6384 PRESSURE: 4688000 -39.3578 13.2715 105.398 13.2707 -92.1599 -11.0581 105.397 -11.0601 184.051 GPRESSURE: 4688000 -53.9366 -57.3965 87.2656 -21.4298 -61.5661 84.8708 92.5976 -24.1108 269.725 PRESSAVG: 4688000 -1.68894 -40.4797 -8.97101 -40.4797 -65.0475 -24.9468 -8.97105 -24.9469 32.9189 GPRESSAVG: 4688000 -1.96394 -40.3357 -9.92839 -41.3658 -65.4148 -22.8607 -7.42068 -24.8743 33.5813 TIMING: 4688000 CPU: 13917.1, 0.00296216/step Wall: 13917.1, 0.00296216/step, 0.25672 hours remaining, 208.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4688000 719.7490 2116.4845 1936.8665 124.6765 -206092.4148 17839.9619 0.0000 0.0000 34344.0188 -149010.6576 299.9349 -183354.6764 -148911.5555 299.4933 17.5112 51.4075 558483.1146 -11.2725 -11.2658 PRESSURE: 4688200 132.84 -87.239 105.692 -87.2371 87.3286 200.209 105.691 200.21 52.964 GPRESSURE: 4688200 186.72 -119.32 16.6159 -94.401 113.622 199.57 71.5768 277.458 64.3982 PRESSAVG: 4688200 23.9142 -29.1583 2.86021 -29.1583 4.17454 -55.3927 2.8602 -55.3927 -65.9642 GPRESSAVG: 4688200 23.5535 -30.5639 2.17189 -26.6718 5.8419 -57.9827 4.30834 -54.9968 -66.7842 TIMING: 4688200 CPU: 13917.7, 0.00298527/step Wall: 13917.7, 0.00298527/step, 0.258558 hours remaining, 208.753906 MB of memory in use. ENERGY: 4688200 754.0988 2171.0458 1940.1996 113.5765 -206020.6731 17816.3585 0.0000 0.0000 34344.8116 -148880.5824 299.9418 -183225.3940 -148779.1073 299.5994 91.0443 121.5799 556928.9319 -12.6251 -12.4629 LDB: ============= START OF LOAD BALANCING ============== 13921.3 LDB: ============== END OF LOAD BALANCING =============== 13921.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13921.3 LDB: ============= START OF LOAD BALANCING ============== 13921.6 LDB: Largest compute 4772 load 0.021924 is 18.5% of average load 0.118241 LDB: Average compute 0.001738 is 1.5% of average load 0.118241 LDB: TIME 13921.6 LOAD: AVG 0.118241 MAX 0.19733 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.551 MB LDB: TIME 13921.6 LOAD: AVG 0.118241 MAX 0.19733 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.551 MB LDB: TIME 13921.6 LOAD: AVG 0.118241 MAX 0.19733 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.551 MB LDB: ============== END OF LOAD BALANCING =============== 13921.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13921.6 PRESSURE: 4688400 -129.835 76.9375 -18.882 76.937 247.887 -104.18 -18.8815 -104.18 21.6837 GPRESSURE: 4688400 -46.8017 68.5658 44.2662 -14.4722 200.749 -138.126 -189.882 -160.685 77.5046 PRESSAVG: 4688400 27.0458 -19.1285 -0.717867 -19.1285 -46.5868 -0.314843 -0.717685 -0.314748 45.5626 GPRESSAVG: 4688400 28.1944 -16.7049 0.308603 -22.6019 -47.0709 1.09932 -3.57899 -1.63904 44.9782 TIMING: 4688400 CPU: 13918.3, 0.00302059/step Wall: 13918.3, 0.00302059/step, 0.261449 hours remaining, 208.550781 MB of memory in use. ENERGY: 4688400 738.4246 2146.4598 1948.2494 120.4271 -206154.6084 17971.7213 0.0000 0.0000 34489.2608 -148740.0655 301.2033 -183229.3263 -148650.6427 300.8871 46.5784 77.1505 557852.4487 8.6739 8.7006 PRESSURE: 4688600 154.211 -5.34779 -62.5008 -5.34713 73.7282 -118.818 -62.5008 -118.818 -133.041 GPRESSURE: 4688600 117.394 19.4487 -69.9849 -28.7745 101.911 -158.203 -83.1371 -53.8138 -33.4257 PRESSAVG: 4688600 -2.07141 -2.23147 -4.914 -2.23151 0.911331 10.901 -4.9141 10.9009 -18.1861 GPRESSAVG: 4688600 -3.20557 -4.50867 -4.95469 0.477217 2.59142 9.80011 -3.42586 13.2015 -18.4881 TIMING: 4688600 CPU: 13918.9, 0.00294403/step Wall: 13918.9, 0.00294403/step, 0.254658 hours remaining, 208.808594 MB of memory in use. ENERGY: 4688600 740.2053 2126.6219 1956.9760 121.3423 -205672.3407 17490.6374 0.0000 0.0000 34344.5586 -148891.9991 299.9396 -183236.5577 -148797.0239 300.3040 31.6329 61.9596 556395.6192 -6.4487 -6.3674 PRESSURE: 4688800 -35.5181 -38.5574 -123.713 -38.557 -27.0281 33.8636 -123.712 33.8639 15.9891 GPRESSURE: 4688800 37.2563 -62.9922 -60.1817 -12.7595 -14.3779 9.32887 -181.506 -8.18636 40.6878 PRESSAVG: 4688800 -2.28185 -18.0128 -34.8946 -18.0128 37.4535 21.3258 -34.8947 21.3259 -16.9077 GPRESSAVG: 4688800 -1.57405 -17.3971 -35.0533 -19.9291 36.4532 20.9021 -37.5885 21.1795 -16.6736 TIMING: 4688800 CPU: 13919.5, 0.00296927/step Wall: 13919.5, 0.00296928/step, 0.256677 hours remaining, 208.808594 MB of memory in use. ENERGY: 4688800 698.9900 2137.4049 1948.8781 110.0121 -205825.0849 17560.4607 0.0000 0.0000 34458.0807 -148911.2583 300.9310 -183369.3390 -148816.7697 299.3636 -15.5190 21.1887 555979.4898 6.0880 6.0685 PRESSURE: 4689000 -6.85813 -23.7951 -155.803 -23.7951 -88.4968 66.7875 -155.803 66.7864 -29.4475 GPRESSURE: 4689000 70.7218 47.02 -187.71 -92.3922 -50.141 -23.0878 -95.5633 -5.71956 -50.5122 PRESSAVG: 4689000 29.0076 2.84848 -6.07963 2.8485 -4.67517 -38.185 -6.07972 -38.185 -24.8542 GPRESSAVG: 4689000 30.1264 2.34759 -7.43862 3.97269 -5.32182 -36.6854 -4.88946 -40.2184 -25.4427 TIMING: 4689000 CPU: 13920.1, 0.00294422/step Wall: 13920.1, 0.00294422/step, 0.254348 hours remaining, 208.808594 MB of memory in use. ENERGY: 4689000 710.7867 2167.9045 1905.9739 119.1990 -205918.1206 17677.8642 0.0000 0.0000 34396.1726 -148940.2198 300.3903 -183336.3923 -148832.4289 300.1789 -41.6008 -9.9771 557467.5169 -0.1739 -0.2127 PRESSURE: 4689200 113.392 116.116 -107.479 116.115 23.8893 17.8445 -107.479 17.8464 43.5427 GPRESSURE: 4689200 52.6979 179.876 -16.4666 -6.81769 86.5085 9.53704 -80.3682 57.7035 130.745 PRESSAVG: 4689200 -41.265 18.9186 -52.9687 18.9186 41.4807 4.49524 -52.9687 4.49522 12.5189 GPRESSAVG: 4689200 -43.024 18.9399 -52.7641 16.5607 42.5068 4.35406 -53.868 5.22357 12.9531 TIMING: 4689200 CPU: 13920.7, 0.00294852/step Wall: 13920.7, 0.00294852/step, 0.254555 hours remaining, 208.808594 MB of memory in use. ENERGY: 4689200 753.7054 2121.2082 1907.8165 108.4466 -205997.5082 17790.2204 0.0000 0.0000 34269.5735 -149046.5376 299.2847 -183316.1111 -148948.8628 299.8193 60.2746 89.9839 556520.3402 4.2449 4.1453 PRESSURE: 4689400 -5.93143 -35.851 181.491 -35.8513 -374.883 -61.636 181.49 -61.636 -12.7982 GPRESSURE: 4689400 3.92728 -55.5978 219.014 -66.3811 -292.778 -26.5981 160.259 27.5385 -5.74164 PRESSAVG: 4689400 -31.5391 30.8132 12.423 30.8133 54.7071 8.80245 12.4231 8.80239 -15.1632 GPRESSAVG: 4689400 -30.6142 29.8867 12.0292 31.4196 53.5701 9.39994 14.2872 9.93384 -15.129 TIMING: 4689400 CPU: 13921.3, 0.00294078/step Wall: 13921.3, 0.00294078/step, 0.253724 hours remaining, 208.808594 MB of memory in use. ENERGY: 4689400 775.7368 2059.3983 1947.4123 110.7022 -205714.5673 17711.0373 0.0000 0.0000 34125.1746 -148985.1058 298.0236 -183110.2804 -148889.5037 299.2970 -131.2044 -98.1974 558510.7243 2.6683 2.6089 PRESSURE: 4689600 248.089 66.9493 29.0924 66.9507 -43.5073 141.171 29.0931 141.171 57.3263 GPRESSURE: 4689600 307.787 87.5146 -51.4379 73.7983 -14.9877 81.3797 54.3577 198.884 64.5047 PRESSAVG: 4689600 2.33127 -55.2137 4.99494 -55.2137 -19.9845 27.4607 4.99492 27.4606 -9.76318 GPRESSAVG: 4689600 1.26999 -52.0657 5.2602 -53.7848 -19.9745 25.408 3.62263 27.5533 -9.04497 TIMING: 4689600 CPU: 13921.9, 0.00296717/step Wall: 13921.9, 0.00296717/step, 0.255836 hours remaining, 208.808594 MB of memory in use. ENERGY: 4689600 746.0866 2116.6597 1943.5961 121.7566 -206142.5635 17883.2821 0.0000 0.0000 34294.3125 -149036.8700 299.5008 -183331.1826 -148946.6520 299.1273 87.3026 119.1012 557744.9585 -9.1388 -9.2498 PRESSURE: 4689800 -235.495 70.9909 237.671 70.9916 -290.691 -100.923 237.67 -100.923 -154.164 GPRESSURE: 4689800 -198.61 86.8028 209.682 32.4306 -246.532 -33.9021 263.855 -122.137 -150.369 PRESSAVG: 4689800 10.529 33.4839 41.9754 33.4839 -20.598 24.1372 41.9754 24.1371 11.5126 GPRESSAVG: 4689800 11.3193 29.5397 40.9942 34.1576 -20.3596 26.2337 43.9204 23.9648 10.5472 TIMING: 4689800 CPU: 13922.5, 0.00294948/step Wall: 13922.5, 0.00294948/step, 0.254147 hours remaining, 208.808594 MB of memory in use. ENERGY: 4689800 729.6579 2132.8089 1912.7946 118.3375 -205586.9071 17380.8550 0.0000 0.0000 34130.8820 -149181.5712 298.0735 -183312.4532 -149086.4877 299.1324 -226.7835 -198.5034 558536.9502 0.4812 0.5023 PRESSURE: 4690000 16.071 -105.355 -80.8665 -105.355 -82.2286 31.925 -80.8657 31.9271 -336.304 GPRESSURE: 4690000 66.5261 -168.481 -8.98065 -140.438 8.72444 38.2283 -125.292 30.0302 -376.524 PRESSAVG: 4690000 44.5486 40.9056 34.6803 40.9055 -37.6917 85.9488 34.6802 85.9489 -17.8581 GPRESSAVG: 4690000 45.1012 42.0351 34.764 39.8361 -38.2211 84.3613 34.7172 84.7507 -18.1093 TIMING: 4690000 CPU: 13923.1, 0.00296924/step Wall: 13923.1, 0.00296924/step, 0.255684 hours remaining, 208.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4690000 725.0024 2102.4340 1915.0833 110.8049 -205715.2682 17499.9520 0.0000 0.0000 34307.3911 -149054.6004 299.6150 -183361.9915 -148958.1148 299.4460 -134.1540 -100.4244 559313.3313 -3.6671 -3.7431 PRESSURE: 4690200 -34.8318 -108.593 -38.7378 -108.595 -28.0039 -12.1801 -38.738 -12.1813 30.0251 GPRESSURE: 4690200 22.7982 -113.05 -52.4531 -8.45133 22.2127 -4.61154 -76.73 31.0734 22.6342 PRESSAVG: 4690200 4.69948 20.6455 -10.1687 20.6455 44.1748 -26.1181 -10.1686 -26.1181 -18.017 GPRESSAVG: 4690200 2.90271 20.1281 -10.8239 22.5071 43.3137 -26.0944 -10.2595 -23.6334 -15.4715 TIMING: 4690200 CPU: 13923.6, 0.00297825/step Wall: 13923.6, 0.00297825/step, 0.256295 hours remaining, 208.808594 MB of memory in use. ENERGY: 4690200 732.4552 2110.2792 1936.8609 107.9467 -205913.3652 17784.3745 0.0000 0.0000 34287.5756 -148953.8732 299.4419 -183241.4488 -148864.3044 299.5848 -10.9369 22.5484 558206.9420 10.2858 10.2483 PRESSURE: 4690400 56.5506 85.4908 156.267 85.4912 77.3562 -80.4066 156.267 -80.4066 -101.58 GPRESSURE: 4690400 121.007 41.3037 216.826 75.3358 110.261 -129.181 121.728 25.6995 -106.433 PRESSAVG: 4690400 -21.7506 -68.4536 45.7297 -68.4536 83.2619 -99.2155 45.7296 -99.2154 -53.18 GPRESSAVG: 4690400 -20.9518 -68.3792 46.4239 -68.7798 82.8387 -100.445 45.7832 -98.9475 -53.9236 TIMING: 4690400 CPU: 13924.2, 0.0029632/step Wall: 13924.2, 0.0029632/step, 0.254835 hours remaining, 208.808594 MB of memory in use. ENERGY: 4690400 742.1824 2088.3769 1928.5917 121.0536 -206086.4149 17945.2323 0.0000 0.0000 34370.0278 -148890.9502 300.1620 -183260.9780 -148797.1615 299.5710 10.7757 41.6118 557899.6989 2.7771 2.6545 PRESSURE: 4690600 34.0725 -58.5877 44.8882 -58.5864 276.362 -268.319 44.8873 -268.319 16.4607 GPRESSURE: 4690600 45.1358 -83.7807 114.551 3.36497 296.257 -270.115 -46.9854 -237.632 88.7585 PRESSAVG: 4690600 -2.64018 11.2168 30.3793 11.2168 29.0421 -85.1241 30.3794 -85.1242 -34.7566 GPRESSAVG: 4690600 -3.62541 13.3075 30.6672 10.2731 30.2914 -84.4476 28.0094 -85.8153 -34.5864 TIMING: 4690600 CPU: 13924.8, 0.00298752/step Wall: 13924.8, 0.00298752/step, 0.256761 hours remaining, 208.808594 MB of memory in use. ENERGY: 4690600 730.7502 2144.2470 1928.1737 126.4421 -206167.4069 17924.1260 0.0000 0.0000 34499.8097 -148813.8582 301.2954 -183313.6680 -148714.5863 300.2044 108.9650 143.3836 557766.4667 -2.7849 -2.6401 PRESSURE: 4690800 48.0738 10.2717 0.909543 10.2723 -236.377 -49.5458 0.910056 -49.5471 -50.4291 GPRESSURE: 4690800 77.5211 136.834 -9.89782 -90.3498 -223.676 -37.6388 46.8368 -58.0515 4.49083 PRESSAVG: 4690800 96.3705 17.2176 29.8738 17.2176 -41.3196 -27.9636 29.8739 -27.9634 -64.3713 GPRESSAVG: 4690800 96.5547 15.5878 30.6939 18.7584 -41.1462 -27.9109 29.7317 -29.1889 -65.043 TIMING: 4690800 CPU: 13925.4, 0.00294529/step Wall: 13925.4, 0.00294529/step, 0.252967 hours remaining, 208.808594 MB of memory in use. ENERGY: 4690800 742.5431 2108.7388 1922.3637 116.7846 -205946.8898 17748.1860 0.0000 0.0000 34447.5863 -148860.6873 300.8393 -183308.2736 -148769.3894 299.9655 -79.5775 -47.2213 558167.0454 -3.1068 -3.2115 PRESSURE: 4691000 -102.483 15.467 67.4502 15.4671 272.758 -30.8098 67.4505 -30.8095 45.3856 GPRESSURE: 4691000 -99.5191 75.9755 50.1324 19.9699 299.442 -73.4585 4.21288 -66.1493 113.126 PRESSAVG: 4691000 20.2564 -13.4957 -15.477 -13.4957 63.5706 -62.3877 -15.4771 -62.3878 -16.4331 GPRESSAVG: 4691000 20.7008 -10.3528 -16.11 -15.427 62.6241 -61.6301 -15.2935 -62.581 -15.0459 TIMING: 4691000 CPU: 13926, 0.00293362/step Wall: 13926, 0.00293362/step, 0.251802 hours remaining, 208.808594 MB of memory in use. ENERGY: 4691000 734.7851 2104.1183 1943.8842 126.6004 -206279.8393 17988.2934 0.0000 0.0000 34586.3104 -148795.8475 302.0509 -183382.1579 -148699.7800 300.5106 71.8867 104.3497 558013.8029 22.4646 22.7597 PRESSURE: 4691200 -116.616 -29.8777 -175.137 -29.8767 -339.697 -162.106 -175.137 -162.105 -306.142 GPRESSURE: 4691200 -104.299 -50.8245 -218.208 6.65487 -250.227 -166.34 -180.657 -96.7273 -322.001 PRESSAVG: 4691200 41.8496 23.9743 -1.63665 23.9743 22.0563 -34.6591 -1.63665 -34.6591 -72.7914 GPRESSAVG: 4691200 42.575 19.6824 -1.43654 26.5606 22.8331 -33.8886 -2.07883 -36.1096 -74.1342 TIMING: 4691200 CPU: 13926.6, 0.00296724/step Wall: 13926.6, 0.00296724/step, 0.254523 hours remaining, 208.808594 MB of memory in use. ENERGY: 4691200 767.0245 2123.8996 1922.2850 108.2364 -205395.8576 17340.2213 0.0000 0.0000 34368.4626 -148765.7282 300.1483 -183134.1908 -148666.5270 300.5178 -254.1517 -225.5086 558666.3626 -2.9618 -2.9087 PRESSURE: 4691400 176.233 -141.098 39.304 -141.097 -321.226 47.0738 39.3059 47.0738 230.918 GPRESSURE: 4691400 243.625 -139.357 84.404 -120.096 -292.483 8.85163 -1.85734 98.7453 219.982 PRESSAVG: 4691400 65.6254 -10.4063 14.3648 -10.4064 -54.0092 22.1401 14.3649 22.1401 -58.1182 GPRESSAVG: 4691400 65.2794 -7.04079 13.8512 -12.8286 -53.6561 20.2219 15.9263 24.3931 -58.1201 TIMING: 4691400 CPU: 13927.2, 0.00295262/step Wall: 13927.2, 0.00295262/step, 0.253105 hours remaining, 208.808594 MB of memory in use. ENERGY: 4691400 729.4337 2130.4497 1915.7104 123.8654 -205936.2112 17794.1951 0.0000 0.0000 34350.2932 -148892.2637 299.9897 -183242.5568 -148800.0860 299.9559 28.6417 57.0415 557884.4878 -15.5007 -15.4989 PRESSURE: 4691600 -9.99734 58.4826 109.055 58.4815 147.083 144.759 109.055 144.759 -112.824 GPRESSURE: 4691600 67.2123 76.2976 105.059 143.701 124.272 127.584 142.057 133.158 -74.3675 PRESSAVG: 4691600 51.4659 16.0631 18.1404 16.0631 -32.0448 55.9768 18.1404 55.9768 -10.3397 GPRESSAVG: 4691600 51.4526 13.8601 18.8954 17.8875 -32.1632 55.7877 17.7862 56.7256 -10.3047 TIMING: 4691600 CPU: 13927.8, 0.00295689/step Wall: 13927.8, 0.00295689/step, 0.253307 hours remaining, 208.808594 MB of memory in use. ENERGY: 4691600 739.4274 2086.2298 1923.8539 109.8905 -205924.8822 17905.7803 0.0000 0.0000 34275.5467 -148884.1535 299.3369 -183159.7003 -148791.1217 299.9861 8.0873 39.0389 557951.8284 3.0271 2.9949 PRESSURE: 4691800 -79.9658 -210.016 203.469 -210.016 102.944 11.0125 203.468 11.0136 231.897 GPRESSURE: 4691800 -83.2748 -142.386 242.389 -264.162 141.51 53.2147 184.796 88.7688 300.24 PRESSAVG: 4691800 7.4494 8.44924 5.80152 8.44923 -38.1503 14.9497 5.80146 14.9497 -6.27648 GPRESSAVG: 4691800 6.9329 9.98311 2.71402 6.67597 -37.6464 14.0324 9.19904 14.4773 -5.64606 TIMING: 4691800 CPU: 13928.4, 0.00295888/step Wall: 13928.4, 0.00295888/step, 0.253313 hours remaining, 208.808594 MB of memory in use. ENERGY: 4691800 777.1448 2118.7327 1921.1684 110.2145 -206213.7218 17976.2462 0.0000 0.0000 34466.6920 -148843.5232 301.0062 -183310.2151 -148752.8407 301.3892 84.9584 119.4920 557518.6140 -12.3258 -12.1199 PRESSURE: 4692000 76.4981 -139.77 16.65 -139.77 -78.4238 50.7539 16.6495 50.753 0.152825 GPRESSURE: 4692000 80.0197 -140.126 21.786 -162.177 10.0135 108.451 25.4694 68.8058 12.6835 PRESSAVG: 4692000 8.50365 -36.0535 62.3362 -36.0535 43.1515 -0.185317 62.3362 -0.185262 2.87056 GPRESSAVG: 4692000 10.5086 -34.8271 63.6963 -35.8793 42.9782 2.04254 60.608 -1.62393 0.872163 TIMING: 4692000 CPU: 13929, 0.00294693/step Wall: 13929, 0.00294693/step, 0.252127 hours remaining, 208.808594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4692000 747.1170 2092.4966 1935.3644 122.5841 -206334.4217 18011.2848 0.0000 0.0000 34542.7311 -148882.8436 301.6703 -183425.5747 -148781.8851 300.9110 -0.5909 34.2389 558159.7881 18.1752 18.1197 PRESSURE: 4692200 -152.279 85.5468 -39.526 85.5466 206.852 0.205055 -39.5272 0.206424 47.7493 GPRESSURE: 4692200 -141.208 169.258 1.26945 27.3331 216.717 63.1538 -13.2765 3.09431 123.03 PRESSAVG: 4692200 -21.6627 8.89041 12.0577 8.89041 -11.068 23.4245 12.0577 23.4245 30.9378 GPRESSAVG: 4692200 -23.1267 7.40483 12.798 9.10434 -10.9848 24.428 13.4558 22.9685 32.1369 TIMING: 4692200 CPU: 13929.6, 0.00294034/step Wall: 13929.6, 0.00294034/step, 0.251399 hours remaining, 208.808594 MB of memory in use. ENERGY: 4692200 718.3146 2111.9609 1922.7744 112.1099 -206115.7529 17747.3060 0.0000 0.0000 34493.0138 -149010.2733 301.2361 -183503.2871 -148918.1930 301.1228 34.1074 66.1795 555756.4185 -0.5976 -0.6582 LDB: ============= START OF LOAD BALANCING ============== 13933.1 LDB: ============== END OF LOAD BALANCING =============== 13933.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13933.1 LDB: ============= START OF LOAD BALANCING ============== 13933.4 LDB: Largest compute 4772 load 0.020988 is 17.7% of average load 0.118261 LDB: Average compute 0.001737 is 1.5% of average load 0.118261 LDB: TIME 13933.4 LOAD: AVG 0.118261 MAX 0.197467 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.062 MB LDB: TIME 13933.4 LOAD: AVG 0.118261 MAX 0.197467 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: TIME 13933.4 LOAD: AVG 0.118261 MAX 0.197467 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: ============== END OF LOAD BALANCING =============== 13933.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13933.4 PRESSURE: 4692400 -303.407 25.9395 148.698 25.939 -318.769 7.97643 148.699 7.97756 -104.314 GPRESSURE: 4692400 -227.704 21.6412 155.832 26.979 -306.96 -48.5076 122.42 -1.52778 -112.956 PRESSAVG: 4692400 58.7063 23.528 -7.39018 23.5281 -25.2512 2.09601 -7.39017 2.09591 7.78156 GPRESSAVG: 4692400 59.3318 23.1477 -6.50172 23.3588 -26.4816 1.6097 -8.44038 1.68127 8.01001 TIMING: 4692400 CPU: 13930.2, 0.00302139/step Wall: 13930.2, 0.00302139/step, 0.258161 hours remaining, 208.550781 MB of memory in use. ENERGY: 4692400 710.6673 2125.8501 1912.0945 106.7394 -205688.2541 17327.4118 0.0000 0.0000 34373.5218 -149131.9692 300.1925 -183505.4910 -149026.7918 300.3590 -242.1634 -215.8733 557764.2109 13.7455 13.6201 PRESSURE: 4692600 -103.881 85.8112 173.1 85.811 -152.046 -60.6984 173.101 -60.6974 6.36625 GPRESSURE: 4692600 -108.063 118.777 192.575 32.6352 -50.2477 -11.3277 150.27 20.4798 4.77448 PRESSAVG: 4692600 -46.8277 0.731354 26.0136 0.731379 13.0116 -38.8401 26.0135 -38.8402 41.6676 GPRESSAVG: 4692600 -45.678 1.16349 25.9045 0.473266 12.1924 -39.6234 24.617 -36.5572 40.9896 TIMING: 4692600 CPU: 13930.8, 0.00294727/step Wall: 13930.8, 0.00294727/step, 0.251664 hours remaining, 208.753906 MB of memory in use. ENERGY: 4692600 724.5561 2118.3884 1945.1498 122.4607 -205752.3699 17600.5798 0.0000 0.0000 34262.7942 -148978.4410 299.2255 -183241.2352 -148883.1930 300.3080 -83.1870 -51.1788 558834.0437 2.6172 2.5014 PRESSURE: 4692800 -138.608 58.2677 -23.7933 58.2674 -93.8298 -42.1935 -23.7933 -42.1931 6.82554 GPRESSURE: 4692800 -107.969 100.757 -112.864 6.21714 -30.8907 -74.316 52.5387 -49.9557 0.501285 PRESSAVG: 4692800 -71.0643 15.72 26.0729 15.72 -9.30035 8.1622 26.073 8.16213 42.2566 GPRESSAVG: 4692800 -71.7469 14.1735 25.1424 16.0959 -7.76148 9.1423 26.4919 7.13129 41.6628 TIMING: 4692800 CPU: 13931.3, 0.00294826/step Wall: 13931.3, 0.00294826/step, 0.251584 hours remaining, 208.753906 MB of memory in use. ENERGY: 4692800 694.0736 2151.2273 1944.7984 118.3592 -205970.1607 17532.3336 0.0000 0.0000 34397.6797 -149131.6889 300.4035 -183529.3686 -149039.1755 300.0689 -75.2040 -46.1196 557478.7272 -12.7027 -12.6152 PRESSURE: 4693000 142.186 282.71 -83.4915 282.709 16.4605 -94.2245 -83.4901 -94.2234 -74.1553 GPRESSURE: 4693000 200.473 247.308 -88.6618 231.117 20.6238 -61.8738 -30.2058 -101.998 -41.9989 PRESSAVG: 4693000 -22.1657 40.6128 -6.95949 40.6128 -6.60292 26.8767 -6.95947 26.8768 48.3018 GPRESSAVG: 4693000 -22.0189 41.5438 -6.41055 40.4012 -6.03353 26.8165 -6.6591 27.5215 48.3012 TIMING: 4693000 CPU: 13931.9, 0.00297338/step Wall: 13931.9, 0.00297338/step, 0.253563 hours remaining, 208.753906 MB of memory in use. ENERGY: 4693000 736.2049 2112.2426 1950.4878 127.6221 -205987.7698 17743.5772 0.0000 0.0000 34335.4925 -148982.1427 299.8604 -183317.6352 -148892.0624 299.2881 28.1637 59.6994 558654.2110 6.5111 6.7496 PRESSURE: 4693200 101.501 30.9506 -3.68199 30.9512 151.706 -94.1296 -3.68315 -94.1282 -316.474 GPRESSURE: 4693200 98.0689 -15.5329 -48.0516 -4.71114 134.39 -71.5441 21.9849 -134.65 -205.795 PRESSAVG: 4693200 7.98325 53.7919 25.9119 53.7918 -3.42655 -29.3853 25.9119 -29.3854 5.59193 GPRESSAVG: 4693200 6.55494 53.3564 23.9492 53.6836 -3.79736 -30.6945 26.4755 -27.9112 6.94209 TIMING: 4693200 CPU: 13932.5, 0.00295487/step Wall: 13932.5, 0.00295487/step, 0.25182 hours remaining, 208.753906 MB of memory in use. ENERGY: 4693200 773.7995 2143.2412 1940.5710 112.0270 -205958.3648 17633.4261 0.0000 0.0000 34218.2884 -149137.0116 298.8368 -183355.3000 -149043.0618 299.8360 -21.0891 8.8878 557473.1025 3.3829 3.2332 PRESSURE: 4693400 -190.783 82.8468 -175.627 82.8465 -72.8218 -121.434 -175.628 -121.434 -300.82 GPRESSURE: 4693400 -127.718 51.284 -150.873 137.804 -26.6943 -69.5561 -181.012 -112.731 -295.416 PRESSAVG: 4693400 -0.672332 -0.69228 -22.8942 -0.692336 83.1572 -20.9197 -22.8941 -20.9198 -53.7903 GPRESSAVG: 4693400 0.481654 -2.18885 -19.6525 0.239929 82.9135 -20.7699 -24.1943 -22.852 -54.3277 TIMING: 4693400 CPU: 13933.1, 0.00294873/step Wall: 13933.1, 0.00294873/step, 0.251134 hours remaining, 208.753906 MB of memory in use. ENERGY: 4693400 733.0182 2110.4509 1919.8627 126.2275 -205932.2493 17636.8481 0.0000 0.0000 34345.7790 -149060.0630 299.9502 -183405.8420 -148959.6400 300.0037 -188.1417 -149.9426 558833.4547 9.5648 9.6892 PRESSURE: 4693600 -283.912 68.8821 25.0505 68.8841 -192.642 27.2503 25.05 27.2496 -139.34 GPRESSURE: 4693600 -220.277 -1.3146 95.883 63.9754 -140.466 66.9484 -60.0302 39.6521 -145.985 PRESSAVG: 4693600 -32.7204 -21.8904 52.9688 -21.8904 67.4092 34.9973 52.9688 34.9973 -0.804117 GPRESSAVG: 4693600 -32.9336 -21.2534 51.0539 -21.9785 67.9166 35.5171 56.0164 35.8335 -1.15796 TIMING: 4693600 CPU: 13933.7, 0.00294628/step Wall: 13933.7, 0.00294628/step, 0.250762 hours remaining, 208.753906 MB of memory in use. ENERGY: 4693600 772.5716 2143.5774 1927.1947 123.3687 -206041.9511 17752.7865 0.0000 0.0000 34378.5179 -148943.9341 300.2361 -183322.4520 -148840.1386 300.5308 -205.2980 -168.9095 558936.0118 11.2949 11.2750 PRESSURE: 4693800 -50.6296 -153.056 97.3885 -153.055 -160.538 291.442 97.3888 291.443 -179.228 GPRESSURE: 4693800 -57.3973 -150.691 118.509 -198.266 -108.777 257.052 78.2213 320.697 -123.092 PRESSAVG: 4693800 -44.069 10.2709 3.5512 10.2709 42.1117 60.9554 3.55124 60.9554 -26.6306 GPRESSAVG: 4693800 -43.697 10.754 4.88255 8.41297 40.9971 61.699 3.22684 59.6871 -25.9224 TIMING: 4693800 CPU: 13934.3, 0.00293827/step Wall: 13934.3, 0.00293827/step, 0.249916 hours remaining, 208.753906 MB of memory in use. ENERGY: 4693800 769.2530 2120.8937 1941.8136 110.7124 -205826.6023 17536.1091 0.0000 0.0000 34520.3239 -148827.4968 301.4746 -183347.8207 -148730.3737 300.3894 -130.1317 -96.4221 558842.2755 -9.5293 -9.5408 PRESSURE: 4694000 -82.7084 22.7339 108.097 22.7359 -104.119 -82.9285 108.097 -82.9279 -161.469 GPRESSURE: 4694000 -68.7052 14.1473 165.107 106.406 -39.5957 -28.2265 88.5175 -122.068 -141.262 PRESSAVG: 4694000 -24.3933 30.9944 -18.7022 30.9944 7.92097 38.974 -18.7022 38.9739 29.3933 GPRESSAVG: 4694000 -24.9449 29.2135 -18.981 34.5802 8.58452 36.7514 -20.6867 39.6529 29.0957 TIMING: 4694000 CPU: 13934.9, 0.00295277/step Wall: 13934.9, 0.00295277/step, 0.250985 hours remaining, 208.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4694000 709.2952 2088.6979 1938.0805 106.4304 -205737.7238 17546.0790 0.0000 0.0000 34394.1766 -148954.9642 300.3729 -183349.1408 -148860.4226 300.3775 -116.0990 -83.1877 558607.8702 4.3070 4.2451 PRESSURE: 4694200 -437.763 -38.3223 41.3986 -38.3226 -109.896 -75.5281 41.3986 -75.5282 159.938 GPRESSURE: 4694200 -409.257 -11.823 49.4465 -154.19 -34.436 -131.271 85.888 -52.2308 160.42 PRESSAVG: 4694200 -26.3442 -22.2963 2.75675 -22.2963 -26.6207 -12.0028 2.75686 -12.0029 56.7967 GPRESSAVG: 4694200 -26.8352 -21.2447 2.47405 -24.1606 -25.8321 -9.41682 3.58086 -12.216 56.5146 TIMING: 4694200 CPU: 13935.5, 0.00299523/step Wall: 13935.5, 0.00299523/step, 0.254428 hours remaining, 208.753906 MB of memory in use. ENERGY: 4694200 723.2089 2076.5373 1937.3075 110.9092 -205685.8407 17610.6469 0.0000 0.0000 34389.9340 -148837.2969 300.3358 -183227.2309 -148738.3689 300.4006 -129.2407 -94.4243 557822.0042 1.2773 1.2824 PRESSURE: 4694400 -335.839 148.011 86.3778 148.011 82.6432 -84.4186 86.3772 -84.4188 51.3241 GPRESSURE: 4694400 -318.473 124.69 82.8319 91.0125 136.037 -102.168 125.197 -77.5805 83.0961 PRESSAVG: 4694400 -102.933 30.2955 49.91 30.2955 60.0407 -30.6416 49.91 -30.6417 52.1019 GPRESSAVG: 4694400 -102.653 31.9548 51.5155 29.8829 58.7896 -30.8887 50.5609 -31.0957 52.8553 TIMING: 4694400 CPU: 13936.1, 0.00299065/step Wall: 13936.1, 0.00299065/step, 0.253873 hours remaining, 208.753906 MB of memory in use. ENERGY: 4694400 717.7119 2068.1507 1939.8350 115.0450 -205877.1274 17593.0211 0.0000 0.0000 34550.0351 -148893.3285 301.7340 -183443.3636 -148792.7705 300.6425 -67.2907 -33.1133 558017.6098 3.0697 2.9972 PRESSURE: 4694600 -139.403 51.5071 -83.2158 51.5065 69.8884 70.1408 -83.2157 70.1406 68.608 GPRESSURE: 4694600 -83.2947 105.186 -137.298 47.288 75.0515 84.9559 -64.2622 123.868 100.165 PRESSAVG: 4694600 -6.36657 11.2324 -25.5609 11.2325 2.70156 -41.5567 -25.5608 -41.5567 -22.4329 GPRESSAVG: 4694600 -6.19656 11.2255 -26.6746 12.455 2.54676 -41.8122 -26.4132 -39.8318 -22.7186 TIMING: 4694600 CPU: 13936.7, 0.00296979/step Wall: 13936.7, 0.00296979/step, 0.251937 hours remaining, 208.753906 MB of memory in use. ENERGY: 4694600 752.7915 2088.7614 1935.7074 117.0223 -205961.1086 17719.7339 0.0000 0.0000 34436.6831 -148910.4089 300.7441 -183347.0920 -148815.5992 300.1406 -0.3021 30.6407 557053.3692 -8.6993 -8.7895 PRESSURE: 4694800 223.063 118.604 -56.1642 118.602 108.614 -52.9017 -56.1635 -52.9017 -8.3992 GPRESSURE: 4694800 220.757 200.378 -53.9184 103.443 154.177 -19.7416 13.7363 -51.7484 47.6978 PRESSAVG: 4694800 -45.603 -12.3546 17.6459 -12.3547 27.4696 8.49172 17.6459 8.49178 19.0583 GPRESSAVG: 4694800 -45.821 -13.0834 17.6002 -13.0952 27.4305 8.4371 18.0806 7.60531 19.7692 TIMING: 4694800 CPU: 13937.3, 0.00295248/step Wall: 13937.3, 0.00295248/step, 0.250305 hours remaining, 208.753906 MB of memory in use. ENERGY: 4694800 730.5641 2119.5615 1920.3547 100.7535 -205876.7025 17892.0961 0.0000 0.0000 34239.9424 -148873.4303 299.0259 -183113.3727 -148777.5006 300.4504 107.7595 140.8772 558020.5692 0.3083 0.4596 PRESSURE: 4695000 -146.758 97.8971 4.97187 97.8973 -3.20809 -9.25097 4.9723 -9.25109 246.835 GPRESSURE: 4695000 -34.2167 81.2714 -14.7458 123.586 40.5744 -4.70401 15.6782 -3.53437 183.074 PRESSAVG: 4695000 -69.3999 59.941 38.4415 59.9411 18.7658 -4.02893 38.4414 -4.02895 76.5325 GPRESSAVG: 4695000 -69.6498 60.9965 39.6294 60.1534 19.9545 -4.18045 38.1077 -3.40818 75.7369 TIMING: 4695000 CPU: 13937.9, 0.00294341/step Wall: 13937.9, 0.00294341/step, 0.249372 hours remaining, 208.753906 MB of memory in use. ENERGY: 4695000 731.2563 2137.1125 1930.9398 111.4425 -205945.4537 17594.0732 0.0000 0.0000 34563.2122 -148877.4172 301.8491 -183440.6294 -148787.6823 300.8787 32.2896 63.1438 557605.1543 8.6328 8.6805 PRESSURE: 4695200 -189.312 -0.22434 170.825 -0.225216 178.141 -22.3741 170.825 -22.3753 -392.688 GPRESSURE: 4695200 -191.777 73.4351 172.822 -42.1585 230.686 8.46595 218.582 -7.8445 -341.059 PRESSAVG: 4695200 0.399059 21.5955 35.4817 21.5954 49.7352 -48.1646 35.4817 -48.1645 -31.8686 GPRESSAVG: 4695200 0.361587 22.8037 33.9637 21.0255 50.338 -47.2141 36.8717 -49.2815 -32.481 TIMING: 4695200 CPU: 13938.4, 0.00292402/step Wall: 13938.4, 0.00292402/step, 0.247567 hours remaining, 208.753906 MB of memory in use. ENERGY: 4695200 719.4056 2113.3244 1949.4603 113.3783 -205546.9365 17499.7606 0.0000 0.0000 34291.0626 -148860.5447 299.4724 -183151.6073 -148760.4838 300.1034 -134.6199 -100.7163 556917.4125 6.0885 6.0729 PRESSURE: 4695400 -36.659 -164.919 115.121 -164.919 79.1153 42.3579 115.12 42.359 168.953 GPRESSURE: 4695400 34.4858 -93.1742 142.562 -213.69 60.1867 42.7292 78.2347 17.2752 221.5 PRESSAVG: 4695400 3.03137 3.96735 20.9619 3.96732 25.401 -56.6122 20.9618 -56.6122 -11.6397 GPRESSAVG: 4695400 3.44929 2.42782 21.6715 4.06119 24.601 -58.3492 20.3968 -56.4286 -11.2598 TIMING: 4695400 CPU: 13939, 0.00292388/step Wall: 13939, 0.00292388/step, 0.247393 hours remaining, 208.753906 MB of memory in use. ENERGY: 4695400 751.0256 2120.9605 1919.5943 104.2663 -206105.1038 17951.1197 0.0000 0.0000 34357.6982 -148900.4392 300.0543 -183258.1373 -148804.6344 300.8088 70.4697 105.3910 556937.5899 5.5976 5.5968 PRESSURE: 4695600 271.397 9.50141 23.7103 9.50056 319.58 -50.47 23.7111 -50.4694 411.558 GPRESSURE: 4695600 382.768 64.0109 -12.2069 -30.3213 303.593 -97.1095 -91.2872 -1.10887 419.432 PRESSAVG: 4695600 -6.04381 40.5748 -6.99203 40.5749 27.1516 25.2054 -6.99204 25.2054 -41.7078 GPRESSAVG: 4695600 -5.18161 41.649 -8.64286 39.3024 26.0801 25.4781 -7.5996 26.9247 -41.4693 TIMING: 4695600 CPU: 13939.6, 0.0029299/step Wall: 13939.6, 0.0029299/step, 0.247739 hours remaining, 208.753906 MB of memory in use. ENERGY: 4695600 744.1826 2107.6381 1942.3209 103.3517 -206090.8469 18089.4818 0.0000 0.0000 34516.7079 -148587.1639 301.4430 -183103.8719 -148494.4296 301.0973 334.1783 368.5978 556321.6329 -6.8667 -6.8569 PRESSURE: 4695800 -85.2941 64.8424 74.4177 64.8419 -158.111 -129.276 74.417 -129.276 62.5062 GPRESSURE: 4695800 -36.5992 84.3145 64.0369 92.8734 -95.2135 -105.988 29.9 -131.802 49.0058 PRESSAVG: 4695800 -68.2781 52.357 -42.9611 52.357 31.6697 -15.8418 -42.9611 -15.8417 44.9174 GPRESSAVG: 4695800 -69.0026 50.6757 -40.8297 51.8598 32.1161 -14.662 -42.688 -18.1874 44.8389 TIMING: 4695800 CPU: 13940.2, 0.00292991/step Wall: 13940.2, 0.00292991/step, 0.247577 hours remaining, 208.753906 MB of memory in use. ENERGY: 4695800 741.9169 2089.7991 1947.5039 108.2877 -205438.6985 17462.3898 0.0000 0.0000 34611.3052 -148477.4958 302.2691 -183088.8009 -148372.2916 301.7497 -60.2998 -27.6023 557565.2748 2.7697 2.6508 PRESSURE: 4696000 -106.861 112.075 -71.3917 112.075 7.46124 5.49351 -71.3918 5.49358 -42.8683 GPRESSURE: 4696000 -2.60573 68.6908 -1.49131 99.9174 -28.5998 -42.9819 -24.8242 -19.8923 -20.8898 PRESSAVG: 4696000 -5.50748 58.5039 55.0992 58.504 6.61414 -24.8686 55.0992 -24.8687 20.3131 GPRESSAVG: 4696000 -5.74422 56.4836 55.684 60.2467 8.0349 -24.9503 55.2491 -24.539 19.7904 TIMING: 4696000 CPU: 13940.8, 0.00292333/step Wall: 13940.8, 0.00292333/step, 0.246859 hours remaining, 208.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4696000 778.0314 2073.7165 1937.0529 110.4124 -205838.7723 17639.5010 0.0000 0.0000 34568.5971 -148731.4609 301.8962 -183300.0581 -148631.6836 301.5467 -47.4227 -17.3651 557064.3088 7.1399 7.3603 PRESSURE: 4696200 76.1995 80.7652 -103.434 80.7655 171.788 -155.981 -103.434 -155.982 285.865 GPRESSURE: 4696200 109.355 47.2792 -62.2838 115.695 228.715 -54.0005 -105.231 -297.851 290.134 PRESSAVG: 4696200 39.6212 53.2675 18.0413 53.2674 -46.0019 -21.2571 18.0413 -21.2571 19.9562 GPRESSAVG: 4696200 39.964 57.8624 17.6322 51.4841 -45.716 -21.1333 17.8409 -21.7638 19.6363 TIMING: 4696200 CPU: 13941.4, 0.00291866/step Wall: 13941.4, 0.00291866/step, 0.246302 hours remaining, 208.753906 MB of memory in use. ENERGY: 4696200 766.4868 2102.2681 1943.2428 103.3742 -206184.2402 18030.1718 0.0000 0.0000 34509.3972 -148729.2993 301.3791 -183238.6964 -148631.0985 301.4923 177.9509 209.4013 556990.8064 4.5251 4.6281 LDB: ============= START OF LOAD BALANCING ============== 13944.9 LDB: ============== END OF LOAD BALANCING =============== 13944.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13944.9 LDB: ============= START OF LOAD BALANCING ============== 13945.2 LDB: Largest compute 4801 load 0.021309 is 18.0% of average load 0.118347 LDB: Average compute 0.001734 is 1.5% of average load 0.118347 LDB: TIME 13945.2 LOAD: AVG 0.118347 MAX 0.196989 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.254 MB LDB: TIME 13945.2 LOAD: AVG 0.118347 MAX 0.196989 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.254 MB LDB: TIME 13945.2 LOAD: AVG 0.118347 MAX 0.196989 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13945.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13945.2 PRESSURE: 4696400 -429.509 73.9651 66.5385 73.9648 -331.074 10.6793 66.5378 10.6778 -244.183 GPRESSURE: 4696400 -359.399 76.9556 114.281 19.6001 -308.764 23.1466 4.51427 53.3799 -243.98 PRESSAVG: 4696400 27.6022 24.8626 -9.01795 24.8626 -19.9975 -2.25418 -9.0179 -2.25417 -1.37953 GPRESSAVG: 4696400 26.5294 20.9108 -8.58748 26.1867 -19.3132 -0.65597 -10.4887 -2.50125 -1.1675 TIMING: 4696400 CPU: 13942, 0.00300087/step Wall: 13942, 0.00300087/step, 0.253073 hours remaining, 209.375000 MB of memory in use. ENERGY: 4696400 793.8883 2093.2036 1965.2366 120.7534 -205390.5543 17313.5420 0.0000 0.0000 34326.4788 -148777.4516 299.7817 -183103.9304 -148681.2544 301.1199 -334.9222 -304.0475 558571.2065 2.0750 2.0162 PRESSURE: 4696600 -179.726 -54.4819 -160.819 -54.4822 -77.2821 5.19133 -160.817 5.19164 21.101 GPRESSURE: 4696600 -145.166 -150.759 -50.238 93.8386 16.0343 -69.3686 -237.101 -6.63749 2.44585 PRESSAVG: 4696600 -30.3597 9.41118 -1.22923 9.41128 26.2194 -4.32946 -1.22929 -4.32966 -12.255 GPRESSAVG: 4696600 -29.216 11.7531 -2.69256 8.39444 25.7275 -5.25528 -0.750134 -6.6218 -12.4455 TIMING: 4696600 CPU: 13942.5, 0.00292384/step Wall: 13942.5, 0.00292384/step, 0.246415 hours remaining, 209.578125 MB of memory in use. ENERGY: 4696600 732.4112 2132.4601 1948.6798 118.4625 -205768.7015 17600.5501 0.0000 0.0000 34495.7430 -148740.3949 301.2599 -183236.1379 -148642.4890 300.5939 -78.6358 -42.2286 556121.7337 -5.4651 -5.3113 PRESSURE: 4696800 -241.246 9.28844 27.5569 9.28953 -25.7265 -138.657 27.5565 -138.656 -40.1185 GPRESSURE: 4696800 -220.97 -30.5652 59.9353 78.6678 12.8628 -132.945 138.47 -194.452 -1.05417 PRESSAVG: 4696800 -38.3968 -26.8989 14.8025 -26.8989 -4.77361 -36.3468 14.8024 -36.3468 27.2722 GPRESSAVG: 4696800 -38.3933 -28.2765 15.8539 -24.9251 -6.0566 -37.895 15.947 -32.5725 28.4712 TIMING: 4696800 CPU: 13943.1, 0.00294168/step Wall: 13943.1, 0.00294168/step, 0.247755 hours remaining, 209.578125 MB of memory in use. ENERGY: 4696800 766.8040 2168.5659 1945.1003 129.4151 -205653.0110 17545.2962 0.0000 0.0000 34467.2177 -148630.6118 301.0108 -183097.8294 -148534.0205 301.0073 -102.3637 -69.7204 557903.2051 -5.2994 -5.3262 PRESSURE: 4697000 -309.532 -94.9018 130.548 -94.9017 -102.649 0.575477 130.549 0.573986 176.864 GPRESSURE: 4697000 -280.308 2.88509 247.202 -18.8565 -62.8547 -23.7449 123.077 -34.6977 205.592 PRESSAVG: 4697000 -44.7597 13.0717 46.0141 13.0718 -6.34358 3.49203 46.0141 3.49206 22.3264 GPRESSAVG: 4697000 -44.3896 13.4317 46.8269 12.2106 -5.84048 2.68232 43.7725 2.53305 21.2218 TIMING: 4697000 CPU: 13943.7, 0.00291874/step Wall: 13943.7, 0.00291874/step, 0.245661 hours remaining, 209.578125 MB of memory in use. ENERGY: 4697000 759.4414 2151.6123 1941.2215 105.2771 -205627.0371 17600.0265 0.0000 0.0000 34265.9507 -148803.5076 299.2531 -183069.4583 -148711.1586 300.2591 -78.4391 -45.8569 557243.4293 -9.5923 -9.6694 PRESSURE: 4697200 320.207 -171.972 -71.9653 -171.972 -116.236 89.9138 -71.9654 89.913 -272.108 GPRESSURE: 4697200 392.21 -179.1 -67.2074 -87.6468 -156.195 149.145 -132.035 49.5255 -195.062 PRESSAVG: 4697200 84.5514 19.0532 56.9599 19.0532 -20.9159 22.3789 56.9599 22.3788 -26.6323 GPRESSAVG: 4697200 84.0245 20.5899 58.1677 19.5031 -20.8926 23.0946 59.0613 21.827 -25.9451 TIMING: 4697200 CPU: 13944.3, 0.00291149/step Wall: 13944.3, 0.00291149/step, 0.244889 hours remaining, 209.578125 MB of memory in use. ENERGY: 4697200 754.3385 2119.3127 1919.8801 119.9968 -206181.7526 17806.3316 0.0000 0.0000 34410.3763 -149051.5167 300.5144 -183461.8929 -148951.0393 299.5601 -22.7124 13.6512 557807.5319 12.3344 12.3956 PRESSURE: 4697400 48.3959 30.0068 26.9576 30.0072 -95.3419 61.4401 26.9569 61.4393 -228.782 GPRESSURE: 4697400 84.5109 60.5573 -104.068 -0.978061 -87.3261 57.7664 40.8636 60.3471 -163.316 PRESSAVG: 4697400 10.85 -1.8682 72.586 -1.86816 -7.57708 45.0721 72.5861 45.072 48.8731 GPRESSAVG: 4697400 10.5038 -2.5503 69.8707 -2.23812 -7.55436 45.6651 71.5467 44.3791 49.0617 TIMING: 4697400 CPU: 13944.9, 0.00294678/step Wall: 13944.9, 0.00294678/step, 0.247693 hours remaining, 209.578125 MB of memory in use. ENERGY: 4697400 754.7129 2137.5561 1931.2682 117.0997 -205760.2674 17477.9278 0.0000 0.0000 34397.4390 -148944.2636 300.4014 -183341.7026 -148847.5929 300.1611 -91.9095 -55.3771 556962.2035 17.3820 17.3370 PRESSURE: 4697600 -84.6665 67.081 -14.254 67.0812 -2.41458 145.087 -14.2542 145.089 -9.19236 GPRESSURE: 4697600 -24.9782 94.0808 78.2505 128.792 28.3409 134.584 -113.052 112.078 10.2436 PRESSAVG: 4697600 -19.3213 7.8535 -8.86246 7.85359 -14.2672 39.2459 -8.86255 39.2459 62.6832 GPRESSAVG: 4697600 -19.4429 7.03838 -6.40656 8.37924 -15.2392 39.5222 -10.2452 39.6186 63.5565 TIMING: 4697600 CPU: 13945.5, 0.00295338/step Wall: 13945.5, 0.00295338/step, 0.248084 hours remaining, 209.578125 MB of memory in use. ENERGY: 4697600 708.6553 2102.2020 1926.7897 117.1313 -205966.1538 17675.1621 0.0000 0.0000 34441.6295 -148994.5840 300.7873 -183436.2135 -148901.6245 299.8471 -32.0912 4.5354 557408.1438 9.6982 9.6248 PRESSURE: 4697800 -0.685977 76.1027 100.2 76.1025 18.8834 73.3932 100.201 73.3927 -103.69 GPRESSURE: 4697800 29.5029 -4.98802 111.374 103.716 28.8153 68.2172 120.894 101.878 -47.7424 PRESSAVG: 4697800 41.1604 34.169 -7.77032 34.1691 20.0932 45.9689 -7.77037 45.9688 11.9067 GPRESSAVG: 4697800 40.1604 34.2551 -9.96702 34.082 21.5416 45.4694 -5.11841 46.7859 11.1734 TIMING: 4697800 CPU: 13946.1, 0.00293303/step Wall: 13946.1, 0.00293303/step, 0.246212 hours remaining, 209.578125 MB of memory in use. ENERGY: 4697800 773.1488 2097.5962 1947.7166 107.9350 -206263.5308 18100.6415 0.0000 0.0000 34303.2824 -148933.2103 299.5791 -183236.4926 -148832.2127 300.0883 -28.4975 3.5253 559400.4822 24.3868 24.2918 PRESSURE: 4698000 81.6188 -188.276 18.8511 -188.277 328.813 77.4534 18.8498 77.4538 -119.671 GPRESSURE: 4698000 107.131 -207.217 65.1934 -90.6062 352.408 -5.51114 79.2889 147.422 -68.9507 PRESSAVG: 4698000 31.7545 17.6457 13.7314 17.6457 54.7764 33.1317 13.7314 33.1318 -84.9058 GPRESSAVG: 4698000 31.0942 16.2991 13.9208 17.4366 55.4145 32.9564 12.3826 32.4348 -84.6875 TIMING: 4698000 CPU: 13946.7, 0.00292255/step Wall: 13946.7, 0.00292254/step, 0.245169 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4698000 795.7130 2098.5650 1960.4505 124.1625 -206378.1071 17941.1697 0.0000 0.0000 34411.0038 -149047.0426 300.5199 -183458.0464 -148950.6429 299.5810 96.9203 130.1962 557136.5903 0.5417 0.6071 PRESSURE: 4698200 -110.133 -55.1947 73.8473 -55.1941 -28.0052 38.1878 73.8478 38.1882 -148.574 GPRESSURE: 4698200 -44.4295 -71.4714 121.238 -44.8108 -56.2505 99.3005 -65.7291 67.1904 -82.4474 PRESSAVG: 4698200 -10.4249 6.6914 45.1627 6.69138 1.239 -10.5494 45.1628 -10.5494 19.9391 GPRESSAVG: 4698200 -9.51848 8.05713 44.533 7.45813 -0.0363274 -10.9533 46.219 -10.6678 20.3505 TIMING: 4698200 CPU: 13947.2, 0.00291953/step Wall: 13947.2, 0.00291953/step, 0.244754 hours remaining, 209.578125 MB of memory in use. ENERGY: 4698200 732.5155 2004.9249 1953.4645 110.1116 -205710.7456 17498.0190 0.0000 0.0000 34363.2385 -149048.4715 300.1027 -183411.7101 -148951.8729 299.6143 -95.5707 -61.0425 558342.8778 3.5844 3.5986 PRESSURE: 4698400 -160.993 -74.0913 19.63 -74.092 -100.81 -199.644 19.6303 -199.642 -8.05877 GPRESSURE: 4698400 -96.3315 -126.308 84.8977 -71.1899 -66.7991 -113.747 5.04119 -162.106 -19.7675 PRESSAVG: 4698400 7.71891 80.2167 52.8485 80.2166 -21.8085 -23.4707 52.8485 -23.4707 -27.5457 GPRESSAVG: 4698400 8.07766 81.0617 53.7323 80.3932 -21.6331 -24.4167 52.2112 -20.5464 -27.7412 TIMING: 4698400 CPU: 13947.8, 0.00292068/step Wall: 13947.8, 0.00292068/step, 0.244688 hours remaining, 209.835938 MB of memory in use. ENERGY: 4698400 755.2434 2104.4908 1943.0564 116.0338 -206285.5956 17856.7787 0.0000 0.0000 34388.9763 -149121.0162 300.3275 -183509.9925 -149028.3999 300.0867 -89.9539 -60.9660 558317.4180 -13.8784 -13.7655 PRESSURE: 4698600 132.217 -175.378 -69.2294 -175.376 -231.463 36.1346 -69.2292 36.133 59.1212 GPRESSURE: 4698600 196.496 -157.424 -69.7758 -179.346 -187.344 57.6905 -59.8252 87.9841 54.6685 PRESSAVG: 4698600 45.0941 48.4352 47.9201 48.4352 -26.5326 -8.76451 47.9201 -8.7644 3.95198 GPRESSAVG: 4698600 45.6071 48.3412 46.7002 47.0952 -26.5504 -5.79066 48.1105 -11.4046 2.82998 TIMING: 4698600 CPU: 13948.4, 0.00292583/step Wall: 13948.4, 0.00292583/step, 0.244957 hours remaining, 209.835938 MB of memory in use. ENERGY: 4698600 732.4394 2134.5581 1911.0538 116.1162 -206109.7212 17726.4020 0.0000 0.0000 34240.3978 -149248.7538 299.0299 -183489.1517 -149152.3755 299.5563 -13.3751 21.2733 558671.9476 7.5045 7.2956 PRESSURE: 4698800 -61.5197 8.24437 34.1665 8.24389 -111.12 33.571 34.1672 33.5693 -169.789 GPRESSURE: 4698800 -19.3302 -46.0118 38.1813 -23.8574 -98.728 62.7892 147.835 18.4777 -133.891 PRESSAVG: 4698800 15.5989 -1.52368 -27.7126 -1.52347 -30.6609 1.58298 -27.7126 1.58287 -8.9822 GPRESSAVG: 4698800 15.5882 -0.519474 -28.1251 -1.16047 -30.8987 0.390293 -27.0151 0.480025 -8.47705 TIMING: 4698800 CPU: 13949, 0.00293234/step Wall: 13949, 0.00293234/step, 0.245339 hours remaining, 209.835938 MB of memory in use. ENERGY: 4698800 776.3192 2037.6768 1924.8231 112.1835 -206117.8773 17697.8610 0.0000 0.0000 34072.9414 -149496.0724 297.5675 -183569.0138 -149406.7812 298.9621 -114.1429 -83.9832 558490.9150 -8.0147 -7.9292 PRESSURE: 4699000 -277.025 44.1832 227.318 44.1831 -176.575 140.087 227.318 140.087 -173.848 GPRESSURE: 4699000 -282.166 9.29192 193.772 102.074 -126.851 81.012 166.521 116.847 -124.643 PRESSAVG: 4699000 26.9728 18.0744 39.244 18.0744 -51.272 -38.0889 39.244 -38.0889 30.0564 GPRESSAVG: 4699000 26.6949 17.0642 41.2331 18.0555 -51.3169 -38.3141 40.1715 -36.8453 30.7041 TIMING: 4699000 CPU: 13949.6, 0.00295225/step Wall: 13949.6, 0.00295225/step, 0.246841 hours remaining, 209.835938 MB of memory in use. ENERGY: 4699000 783.7200 2054.4473 1927.0825 117.1575 -206534.8004 17788.0365 0.0000 0.0000 34339.3765 -149524.9801 299.8943 -183864.3566 -149424.2591 298.0706 -209.1494 -177.8867 558674.6846 1.9191 2.0273 PRESSURE: 4699200 169.727 -9.06505 67.7245 -9.06601 -62.2357 3.12467 67.7246 3.12783 212.844 GPRESSURE: 4699200 170.346 3.35169 75.2081 9.19951 -30.4324 49.33 2.34576 -1.3563 269.714 PRESSAVG: 4699200 46.3266 0.169756 60.3401 0.16978 -7.66509 19.5012 60.34 19.5012 13.1822 GPRESSAVG: 4699200 45.8754 1.43738 60.7392 -0.170146 -7.01155 20.3522 59.7941 18.0001 12.5896 TIMING: 4699200 CPU: 13950.2, 0.00293838/step Wall: 13950.2, 0.00293838/step, 0.245518 hours remaining, 209.835938 MB of memory in use. ENERGY: 4699200 728.7780 2095.5493 1909.3820 107.4290 -206794.6559 18199.2145 0.0000 0.0000 34401.8312 -149352.4719 300.4397 -183754.3031 -149257.3173 299.4813 106.7783 136.5425 557519.2959 17.2812 17.1511 PRESSURE: 4699400 330.34 98.5831 203.635 98.5832 79.7947 31.0207 203.634 31.0203 275.593 GPRESSURE: 4699400 374.313 84.917 94.097 78.4595 119.452 56.3046 203.931 27.8415 297.805 PRESSAVG: 4699400 60.6067 -5.23357 -55.0673 -5.2336 -43.0164 15.989 -55.0673 15.9889 -31.9546 GPRESSAVG: 4699400 60.295 -6.71522 -54.468 -3.56506 -43.1429 14.9894 -56.3726 16.8697 -31.2213 TIMING: 4699400 CPU: 13950.8, 0.00296015/step Wall: 13950.8, 0.00296015/step, 0.247172 hours remaining, 209.835938 MB of memory in use. ENERGY: 4699400 730.4166 2116.6240 1954.2023 114.3841 -206514.7055 18028.8841 0.0000 0.0000 34334.9984 -149235.1961 299.8561 -183570.1945 -149142.0789 299.8261 228.5758 263.8564 555702.7853 -4.7881 -4.6897 PRESSURE: 4699600 125.766 110.296 86.4256 110.297 -5.7222 58.0442 86.4264 58.045 -74.7978 GPRESSURE: 4699600 143.252 54.2079 39.345 59.4818 24.3078 128.332 132.5 83.0811 -23.3725 PRESSAVG: 4699600 36.3447 -48.7935 32.8676 -48.7935 23.0102 21.2831 32.8676 21.2832 -45.5732 GPRESSAVG: 4699600 37.0909 -49.5715 30.8869 -49.3055 23.1518 23.2524 33.6187 20.3341 -46.869 TIMING: 4699600 CPU: 13951.4, 0.00295509/step Wall: 13951.4, 0.00295509/step, 0.246586 hours remaining, 209.835938 MB of memory in use. ENERGY: 4699600 755.9843 2059.4575 1933.1733 104.9783 -206157.8980 17750.9415 0.0000 0.0000 34297.9430 -149255.4201 299.5325 -183553.3631 -149159.0916 299.6642 15.0821 48.0625 555702.1187 4.5939 4.4579 PRESSURE: 4699800 -58.5336 0.355873 -45.6703 0.357439 279.129 216.733 -45.6703 216.733 341.332 GPRESSURE: 4699800 -39.0578 17.2155 -71.655 10.5436 295.289 234.238 -43.6915 194.826 416.377 PRESSAVG: 4699800 -54.2536 -1.69874 9.1338 -1.69882 -6.86656 42.5352 9.13377 42.5352 59.0808 GPRESSAVG: 4699800 -54.1096 -1.32442 11.1267 -2.73137 -7.1725 41.1925 9.93427 42.6116 59.2232 TIMING: 4699800 CPU: 13951.9, 0.00294132/step Wall: 13951.9, 0.00294132/step, 0.245273 hours remaining, 209.835938 MB of memory in use. ENERGY: 4699800 729.3038 2002.3588 1920.9259 112.1230 -206317.1646 18018.0057 0.0000 0.0000 34329.3040 -149205.1433 299.8064 -183534.4473 -149102.2267 299.0248 187.3090 224.2028 556134.6695 -0.6798 -0.6863 PRESSURE: 4700000 37.4541 -122.185 27.9354 -122.186 -122.416 73.1307 27.9347 73.131 68.1785 GPRESSURE: 4700000 49.3885 -143.646 63.147 -135.314 -71.4658 158.274 58.2486 32.7052 107.466 PRESSAVG: 4700000 -50.8715 -6.19278 5.29696 -6.19278 -9.53147 -32.3835 5.29688 -32.3836 33.4488 GPRESSAVG: 4700000 -51.9071 -6.2461 6.18675 -5.67114 -9.7138 -31.2418 3.75679 -32.4588 33.9668 TIMING: 4700000 CPU: 13952.5, 0.00293226/step Wall: 13952.5, 0.00293226/step, 0.244355 hours remaining, 209.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4700000 747.6822 2074.8131 1965.9500 110.5733 -206254.0158 17770.5079 0.0000 0.0000 34219.3438 -149365.1456 298.8460 -183584.4894 -149271.0866 298.9158 -5.5945 28.4630 557380.1774 -8.9847 -9.2180 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4700000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 4700000 WRITING COORDINATES TO RESTART FILE AT STEP 4700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4700200 -34.774 -213.164 33.0652 -213.165 -81.8577 97.2387 33.0649 97.2379 -66.7405 GPRESSURE: 4700200 -6.35925 -188.298 107.424 -183.621 -60.0953 36.5403 97.5787 106.405 -13.0787 PRESSAVG: 4700200 -23.6485 16.5706 -35.3786 16.5705 5.44897 8.83897 -35.3787 8.83902 45.9067 GPRESSAVG: 4700200 -24.1229 13.7916 -35.9627 16.5822 5.2199 7.25584 -35.7159 11.3079 46.2851 TIMING: 4700200 CPU: 13953.2, 0.00315589/step Wall: 13953.2, 0.00315589/step, 0.262816 hours remaining, 209.835938 MB of memory in use. ENERGY: 4700200 692.7495 2087.1594 1925.0763 107.0324 -205955.5217 17651.9472 0.0000 0.0000 34221.2030 -149270.3540 298.8623 -183491.5569 -149174.3938 298.9914 -61.1240 -26.5111 556950.3844 9.2357 9.1274 LDB: ============= START OF LOAD BALANCING ============== 13956.7 LDB: ============== END OF LOAD BALANCING =============== 13956.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13956.7 LDB: ============= START OF LOAD BALANCING ============== 13957 LDB: Largest compute 4801 load 0.021116 is 17.8% of average load 0.118337 LDB: Average compute 0.001741 is 1.5% of average load 0.118337 LDB: TIME 13957 LOAD: AVG 0.118337 MAX 0.198837 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.641 MB LDB: TIME 13957 LOAD: AVG 0.118337 MAX 0.198837 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.684 MB LDB: TIME 13957 LOAD: AVG 0.118337 MAX 0.198837 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13957 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13957 PRESSURE: 4700400 63.0818 35.6696 -45.2557 35.6695 -36.7773 16.0163 -45.257 16.0171 -74.4484 GPRESSURE: 4700400 77.0191 3.61708 -44.5445 61.6061 -4.53947 -45.9313 -67.389 -6.38727 -24.5733 PRESSAVG: 4700400 -37.1561 -23.0732 46.0198 -23.0731 50.9171 60.528 46.0199 60.5279 -0.603422 GPRESSAVG: 4700400 -37.1685 -20.8686 44.5812 -21.6049 51.5454 60.8811 48.8162 60.2051 -1.32435 TIMING: 4700400 CPU: 13953.8, 0.00301169/step Wall: 13953.8, 0.00301169/step, 0.250639 hours remaining, 208.550781 MB of memory in use. ENERGY: 4700400 745.1468 2143.4907 1900.3596 106.4099 -206145.8413 17696.7741 0.0000 0.0000 34350.9729 -149202.6872 299.9956 -183553.6600 -149107.7983 299.2294 -16.0479 15.9688 556292.6359 4.3859 4.3509 PRESSURE: 4700600 33.1336 58.2631 55.6867 58.2631 -122.373 140.502 55.688 140.504 -382.056 GPRESSURE: 4700600 1.03253 -20.6158 47.5302 80.6177 -53.5228 98.7763 -13.3094 151.425 -327.727 PRESSAVG: 4700600 -25.6907 33.8899 -12.7828 33.8899 31.2263 52.3768 -12.7827 52.3768 -4.82911 GPRESSAVG: 4700600 -25.2819 33.7886 -11.5827 33.1338 29.2142 52.2346 -16.0407 52.7676 -3.56046 TIMING: 4700600 CPU: 13954.4, 0.00295724/step Wall: 13954.4, 0.00295724/step, 0.245944 hours remaining, 208.753906 MB of memory in use. ENERGY: 4700600 770.2949 2073.4956 1955.7717 104.0673 -206076.1173 17556.1044 0.0000 0.0000 34232.6136 -149383.7698 298.9619 -183616.3834 -149297.4426 299.2992 -157.0984 -126.7390 556831.3101 0.2355 0.1239 PRESSURE: 4700800 -99.4346 -259.964 113.217 -259.963 -26.147 -46.1765 113.217 -46.1751 -140.544 GPRESSURE: 4700800 -28.803 -337.643 41.8562 -236.338 -9.49094 -43.6211 208.627 -194.21 -130.339 PRESSAVG: 4700800 21.2335 -6.59563 25.0805 -6.59573 -55.7753 37.3018 25.0805 37.3018 36.7618 GPRESSAVG: 4700800 21.7636 -7.34969 24.6625 -5.79028 -54.658 36.837 27.157 35.0474 35.0816 TIMING: 4700800 CPU: 13954.9, 0.00296982/step Wall: 13954.9, 0.00296982/step, 0.246825 hours remaining, 208.753906 MB of memory in use. ENERGY: 4700800 789.6362 2149.7105 1921.4144 112.0529 -206098.2726 17784.4951 0.0000 0.0000 34068.1736 -149272.7900 297.5258 -183340.9636 -149179.7323 299.0434 -88.7086 -56.2110 559253.3100 0.7400 0.7291 PRESSURE: 4701000 -202.249 92.5424 -121.152 92.5436 -91.8561 -127.427 -121.151 -127.428 2.13195 GPRESSURE: 4701000 -182.108 152.303 -81.5219 33.4202 -25.3352 -164.356 -143.441 -88.2256 16.254 PRESSAVG: 4701000 -8.75016 -2.37673 -12.2366 -2.37682 -3.46126 31.7189 -12.2366 31.7188 15.7919 GPRESSAVG: 4701000 -9.96444 0.00603857 -12.1492 -4.91981 -3.1566 31.9425 -11.224 33.3995 16.8425 TIMING: 4701000 CPU: 13955.5, 0.00294916/step Wall: 13955.5, 0.00294916/step, 0.244944 hours remaining, 208.753906 MB of memory in use. ENERGY: 4701000 758.4248 2110.1770 1945.6919 113.1020 -205930.3608 17599.3055 0.0000 0.0000 34063.0278 -149340.6319 297.4809 -183403.6597 -149243.9450 299.0450 -97.3244 -63.7297 557453.6679 1.1935 1.2405 PRESSURE: 4701200 152.641 12.1242 -47.2615 12.127 71.3574 -14.58 -47.2623 -14.5805 59.155 GPRESSURE: 4701200 225.52 -65.8224 28.5879 71.143 27.9419 72.8133 -79.1425 -24.2507 128.56 PRESSAVG: 4701200 -3.73928 -24.2296 21.2953 -24.2295 10.3793 -10.9594 21.2953 -10.9594 -18.249 GPRESSAVG: 4701200 -4.06063 -27.6102 19.538 -24.1271 11.1093 -10.2485 20.2165 -11.8681 -18.8737 TIMING: 4701200 CPU: 13956.1, 0.00294289/step Wall: 13956.1, 0.00294289/step, 0.24426 hours remaining, 208.753906 MB of memory in use. ENERGY: 4701200 731.6689 2094.9719 1948.4407 119.0556 -206379.3793 17913.6936 0.0000 0.0000 34291.7382 -149279.8104 299.4783 -183571.5486 -149181.4818 299.3799 94.3845 127.3404 556845.0466 -3.8697 -3.9417 PRESSURE: 4701400 -362.184 26.7878 -104.881 26.7889 42.6513 124.02 -104.881 124.019 -195.707 GPRESSURE: 4701400 -315.947 -49.4823 -128.384 -17.3572 98.369 158.211 -80.0862 -9.04627 -210.822 PRESSAVG: 4701400 14.9516 21.6508 -4.13964 21.6509 -20.382 -32.7875 -4.13963 -32.7876 16.2649 GPRESSAVG: 4701400 15.1793 21.5084 -3.01406 21.4634 -21.0046 -34.1832 -2.69203 -33.2522 16.5541 TIMING: 4701400 CPU: 13956.7, 0.00293239/step Wall: 13956.7, 0.00293239/step, 0.243226 hours remaining, 208.753906 MB of memory in use. ENERGY: 4701400 755.1523 2126.3865 1933.1395 111.3223 -205818.0842 17404.0025 0.0000 0.0000 34278.0146 -149210.0665 299.3584 -183488.0811 -149108.5001 299.4492 -171.7467 -142.7999 557389.4206 3.6115 3.5762 PRESSURE: 4701600 -92.8037 25.6943 154.322 25.693 -6.04463 -8.23085 154.322 -8.2319 -172.189 GPRESSURE: 4701600 -84.1788 15.4821 134.189 -21.4402 71.274 114.733 69.531 -25.8002 -163.235 PRESSAVG: 4701600 -44.3691 14.7405 0.908953 14.7405 28.8296 -31.8558 0.908926 -31.8559 21.2019 GPRESSAVG: 4701600 -44.6671 18.0965 0.606301 14.7842 28.7502 -29.5991 -1.04934 -31.8061 21.4154 TIMING: 4701600 CPU: 13957.3, 0.00296285/step Wall: 13957.3, 0.00296285/step, 0.245588 hours remaining, 208.753906 MB of memory in use. ENERGY: 4701600 750.6675 2165.1277 1947.6758 133.3587 -206111.8903 17607.8121 0.0000 0.0000 34169.1843 -149338.0641 298.4080 -183507.2484 -149245.2678 298.9584 -90.3457 -58.7131 557776.3132 1.8875 1.8328 PRESSURE: 4701800 -196.537 -18.1204 -1.15347 -18.119 -209.608 -24.9326 -1.15366 -24.9322 -6.39402 GPRESSURE: 4701800 -173.405 15.0671 75.9427 -70.5717 -200.605 73.2042 -25.4667 -121.605 57.1137 PRESSAVG: 4701800 -69.2781 66.5342 -49.0869 66.5343 30.4927 -28.9322 -49.0868 -28.9322 24.5972 GPRESSAVG: 4701800 -69.3621 66.1535 -48.9333 67.0451 30.153 -30.4126 -47.6907 -29.6821 25.4699 TIMING: 4701800 CPU: 13957.9, 0.00293567/step Wall: 13957.9, 0.00293567/step, 0.243171 hours remaining, 208.753906 MB of memory in use. ENERGY: 4701800 724.9759 2150.9284 1930.4569 124.8646 -206076.2296 17640.1886 0.0000 0.0000 34192.5101 -149312.3052 298.6117 -183504.8153 -149207.2871 299.2542 -137.5129 -105.6322 558041.6595 -4.7294 -4.5797 PRESSURE: 4702000 -148.452 -13.8006 32.7991 -13.8005 14.9875 -110.579 32.7991 -110.577 159 GPRESSURE: 4702000 -135.433 -13.5151 -15.8521 -62.2056 93.0535 -93.2265 -4.179 -62.3875 156.043 PRESSAVG: 4702000 0.250795 0.855671 -26.1428 0.855702 -78.7235 0.497164 -26.1428 0.497115 35.6096 GPRESSAVG: 4702000 1.30791 -3.03165 -25.895 2.8552 -78.887 0.703371 -27.1673 0.110822 34.9975 TIMING: 4702000 CPU: 13958.5, 0.00295444/step Wall: 13958.5, 0.00295444/step, 0.244562 hours remaining, 208.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4702000 729.8400 2034.4385 1935.6936 117.5303 -206150.9334 17831.6127 0.0000 0.0000 34219.5372 -149282.2812 298.8477 -183501.8184 -149183.2893 299.0379 8.5117 37.8878 559399.1569 -14.2877 -14.1939 PRESSURE: 4702200 183.975 -154.925 101.363 -154.924 278.768 71.3081 101.363 71.3078 3.35486 GPRESSURE: 4702200 197.313 -189.319 107.575 -104.402 347.091 43.3371 144.762 69.6171 11.8305 PRESSAVG: 4702200 -13.422 2.31663 8.51495 2.31658 9.04753 -12.0818 8.51498 -12.0819 10.2205 GPRESSAVG: 4702200 -12.8738 4.17017 6.6752 -0.207217 8.12608 -11.6928 9.13152 -10.8498 9.97188 TIMING: 4702200 CPU: 13959.1, 0.00295971/step Wall: 13959.1, 0.00295971/step, 0.244833 hours remaining, 208.753906 MB of memory in use. ENERGY: 4702200 740.9384 2035.0823 1931.3004 113.1087 -206456.0386 18075.1407 0.0000 0.0000 34508.5574 -149051.9106 301.3718 -183560.4681 -148954.5763 299.4374 155.3657 185.4114 558828.3918 1.9487 1.7414 PRESSURE: 4702400 -261.863 103.881 68.9958 103.88 100.304 -93.6176 68.9959 -93.6166 -368.184 GPRESSURE: 4702400 -206.103 -5.1238 89.9388 134.256 114.219 -74.5643 51.7537 -199.747 -357.736 PRESSAVG: 4702400 29.0778 -43.8495 42.2382 -43.8495 -41.4316 -1.81227 42.2383 -1.81219 14.9452 GPRESSAVG: 4702400 28.5332 -41.7402 42.007 -41.607 -40.0192 -0.558555 43.7873 -2.35321 14.0109 TIMING: 4702400 CPU: 13959.7, 0.00295287/step Wall: 13959.7, 0.00295287/step, 0.244104 hours remaining, 208.753906 MB of memory in use. ENERGY: 4702400 732.6465 2119.4889 1939.6815 107.3158 -206078.0161 17609.8112 0.0000 0.0000 34431.7049 -149137.3673 300.7006 -183569.0722 -149039.7310 299.7945 -176.5811 -149.8736 557776.1978 0.8638 0.8416 PRESSURE: 4702600 -154.748 3.46575 59.349 3.46473 -143.874 -23.3728 59.3491 -23.373 -3.89218 GPRESSURE: 4702600 -130.541 -78.131 59.8374 -41.8009 -63.2741 -56.8911 -33.9817 7.71191 -19.5204 PRESSAVG: 4702600 62.2384 -18.9508 -6.99352 -18.9508 2.62454 -4.63023 -6.99344 -4.63039 -81.0207 GPRESSAVG: 4702600 61.5842 -21.4625 -4.32467 -20.0006 2.79413 -5.12033 -8.94032 -4.22012 -80.3866 TIMING: 4702600 CPU: 13960.3, 0.0029441/step Wall: 13960.3, 0.0029441/step, 0.243215 hours remaining, 208.753906 MB of memory in use. ENERGY: 4702600 757.3395 2124.6372 1941.1876 105.7100 -206307.0689 17877.3006 0.0000 0.0000 34229.4689 -149271.4250 298.9345 -183500.8939 -149175.9305 299.2698 -100.8380 -71.1118 558502.8239 -5.3859 -5.3361 PRESSURE: 4702800 210.855 -64.7656 38.9618 -64.7647 125.754 -100.016 38.9621 -100.015 -76.1219 GPRESSURE: 4702800 196.165 -74.8536 89.6514 -40.1206 160.484 -67.7784 8.37441 -106.181 -4.2157 PRESSAVG: 4702800 115.556 -2.18927 17.9219 -2.1892 11.7027 -6.84905 17.9219 -6.849 -109.644 GPRESSAVG: 4702800 116.282 0.144877 16.5649 -2.92406 10.4133 -7.21849 17.7214 -7.87239 -109.183 TIMING: 4702800 CPU: 13960.8, 0.00292041/step Wall: 13960.8, 0.00292041/step, 0.241096 hours remaining, 208.753906 MB of memory in use. ENERGY: 4702800 735.3600 2114.1987 1934.9643 120.5564 -206594.7170 18124.5554 0.0000 0.0000 34172.4751 -149392.6071 298.4367 -183565.0822 -149299.5780 299.5671 86.8291 117.4779 559295.5232 5.8715 5.8374 PRESSURE: 4703000 242.346 50.4756 -62.5085 50.4761 -19.0267 -2.37965 -62.5077 -2.37914 -60.9425 GPRESSURE: 4703000 251.286 -10.9977 -80.2508 63.8206 -0.566098 16.793 -74.6347 -72.2209 19.663 PRESSAVG: 4703000 59.5714 11.316 37.1194 11.3159 -32.5293 -34.2215 37.1194 -34.2215 -32.2764 GPRESSAVG: 4703000 60.948 10.3705 38.2908 10.67 -32.0604 -34.6823 38.369 -32.7131 -33.2085 TIMING: 4703000 CPU: 13961.4, 0.00292937/step Wall: 13961.4, 0.00292937/step, 0.241673 hours remaining, 208.753906 MB of memory in use. ENERGY: 4703000 751.1333 2065.7431 1923.2917 94.8882 -206753.7448 17974.6075 0.0000 0.0000 34585.6239 -149358.4569 302.0449 -183944.0809 -149263.5989 298.7636 54.1255 90.1276 557863.2012 -1.7448 -1.4403 PRESSURE: 4703200 234.606 -85.4953 230.69 -85.4956 85.0478 -32.4435 230.69 -32.4431 50.1516 GPRESSURE: 4703200 263.817 -70.4578 335.144 -15.9304 46.3414 -105.232 173.205 -28.4769 131.124 PRESSAVG: 4703200 29.6574 9.27335 4.98017 9.27332 -51.1106 42.1973 4.98022 42.1973 -41.6564 GPRESSAVG: 4703200 28.0958 8.60314 5.06794 11.093 -50.969 40.7834 5.3333 43.1534 -40.3319 TIMING: 4703200 CPU: 13962, 0.00292129/step Wall: 13962, 0.00292129/step, 0.240844 hours remaining, 208.753906 MB of memory in use. ENERGY: 4703200 756.6611 2064.7632 1943.7443 125.8301 -206645.5487 18080.6585 0.0000 0.0000 34209.5247 -149464.3670 298.7603 -183673.8917 -149368.8081 298.7843 123.2684 147.0941 555329.2171 -21.0365 -21.0684 PRESSURE: 4703400 -334.893 -102.237 -121.758 -102.237 26.9753 -227.179 -121.757 -227.179 -102.043 GPRESSURE: 4703400 -234.077 -49.9662 -49.2079 -162.442 20.6494 -135.84 -73.8929 -205.926 -100.301 PRESSAVG: 4703400 17.7134 57.0051 16.2738 57.0051 10.5912 -2.61923 16.2739 -2.6192 -72.0873 GPRESSAVG: 4703400 18.2686 55.9984 17.4979 56.1216 9.52595 -4.17571 15.3747 -2.96382 -71.602 TIMING: 4703400 CPU: 13962.6, 0.00293623/step Wall: 13962.6, 0.00293623/step, 0.241913 hours remaining, 208.753906 MB of memory in use. ENERGY: 4703400 761.0960 2074.1500 1932.2986 109.8446 -206107.4197 17709.5753 0.0000 0.0000 34020.9106 -149499.5446 297.1131 -183520.4552 -149397.0426 299.3380 -136.6536 -104.5759 556948.2261 -14.5943 -14.6025 PRESSURE: 4703600 -129.597 -161.898 81.5015 -161.899 43.5276 -17.8561 81.5019 -17.8547 126.563 GPRESSURE: 4703600 -101.899 -209.155 71.2512 -59.4698 105.902 37.4327 85.275 38.4413 138.926 PRESSAVG: 4703600 -15.6114 -80.3146 -71.4576 -80.3146 61.7814 -4.15664 -71.4576 -4.15675 -21.8314 GPRESSAVG: 4703600 -15.1701 -79.8732 -71.8845 -79.84 62.586 -1.39221 -74.2392 -5.55094 -22.6967 TIMING: 4703600 CPU: 13963.2, 0.00294707/step Wall: 13963.2, 0.00294707/step, 0.242642 hours remaining, 208.753906 MB of memory in use. ENERGY: 4703600 758.9669 2053.4559 1949.0852 129.9220 -206456.4459 17873.9409 0.0000 0.0000 34194.4911 -149496.5839 298.6290 -183691.0750 -149392.4062 299.1195 13.4978 47.6430 557169.9343 8.1128 8.2397 PRESSURE: 4703800 551.782 -2.69729 25.6946 -2.69648 48.0283 73.2281 25.6933 73.2294 87.4249 GPRESSURE: 4703800 612.45 -60.7138 28.6863 12.9723 42.6559 60.8486 111.414 83.6039 141.003 PRESSAVG: 4703800 36.15 -7.99344 10.0348 -7.99335 -3.48052 -2.52377 10.0348 -2.52389 -73.6352 GPRESSAVG: 4703800 36.2029 -7.39509 8.51527 -7.87781 -2.44482 -4.60451 15.312 -1.8107 -74.2888 TIMING: 4703800 CPU: 13963.8, 0.00295556/step Wall: 13963.8, 0.00295556/step, 0.243177 hours remaining, 208.753906 MB of memory in use. ENERGY: 4703800 748.5198 2072.9577 1942.5981 122.2714 -206706.6750 18268.5340 0.0000 0.0000 34202.3921 -149349.4019 298.6980 -183551.7940 -149261.9485 299.0150 229.0786 265.3698 556138.5745 -13.6553 -13.5102 PRESSURE: 4704000 133.378 111.735 -131.975 111.734 -46.8342 120.273 -131.974 120.273 137.242 GPRESSURE: 4704000 200.483 88.423 -206.043 100.988 -28.1334 149.232 11.3693 115.342 148.386 PRESSAVG: 4704000 -36.6487 -20.6598 -26.4494 -20.6598 77.9846 45.1447 -26.4493 45.1446 -21.7572 GPRESSAVG: 4704000 -37.2446 -20.657 -25.0161 -22.0343 77.8399 46.7198 -29.0283 43.6412 -20.9323 TIMING: 4704000 CPU: 13964.4, 0.00294566/step Wall: 13964.4, 0.00294566/step, 0.242199 hours remaining, 208.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4704000 716.7312 2071.5387 1944.6365 106.0329 -206320.8365 18034.8550 0.0000 0.0000 34005.8538 -149441.1884 296.9816 -183447.0421 -149341.2938 299.1198 74.5954 106.9122 557706.9061 6.5262 6.5543 PRESSURE: 4704200 -23.1633 -193.29 139.058 -193.291 -99.8845 -145.48 139.058 -145.481 -264.459 GPRESSURE: 4704200 16.4071 -138.757 97.5992 -138.354 -79.728 -71.2254 184.349 -180.55 -233.243 PRESSAVG: 4704200 -52.2662 -18.8187 -18.9793 -18.8187 38.0826 60.8014 -18.9793 60.8013 13.2678 GPRESSAVG: 4704200 -52.5026 -17.1631 -19.9799 -17.9623 38.2366 59.3604 -18.0247 60.8853 13.0479 TIMING: 4704200 CPU: 13965, 0.00293566/step Wall: 13965, 0.00293565/step, 0.241213 hours remaining, 208.753906 MB of memory in use. ENERGY: 4704200 728.3751 2070.5674 1948.7508 106.4845 -206144.3548 17718.0033 0.0000 0.0000 34056.1593 -149516.0144 297.4209 -183572.1737 -149414.0163 298.7289 -129.1691 -98.8547 557595.3915 -0.3053 -0.4060 LDB: ============= START OF LOAD BALANCING ============== 13968.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13968.5 LDB: =============== DONE WITH MIGRATION ================ 13968.5 LDB: ============= START OF LOAD BALANCING ============== 13968.8 LDB: Largest compute 4801 load 0.022023 is 18.6% of average load 0.118289 LDB: Average compute 0.001739 is 1.5% of average load 0.118289 LDB: TIME 13968.8 LOAD: AVG 0.118289 MAX 0.197133 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.215 MB LDB: TIME 13968.8 LOAD: AVG 0.118289 MAX 0.197133 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.223 MB LDB: TIME 13968.8 LOAD: AVG 0.118289 MAX 0.197133 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.223 MB LDB: ============== END OF LOAD BALANCING =============== 13968.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13968.8 PRESSURE: 4704400 -264.291 -92.2553 75.5124 -92.2542 -192.847 204.849 75.5125 204.848 128.709 GPRESSURE: 4704400 -210.964 -97.6689 185.598 -169.65 -125.761 164.031 42.9159 206.09 118.694 PRESSAVG: 4704400 -7.32308 -5.8624 29.0214 -5.86245 12.5214 53.5926 29.0213 53.5925 -8.50289 GPRESSAVG: 4704400 -8.05995 -7.27847 30.8477 -6.48808 13.253 54.3017 29.411 55.245 -9.24081 TIMING: 4704400 CPU: 13965.6, 0.00299418/step Wall: 13965.6, 0.00299418/step, 0.245856 hours remaining, 209.062500 MB of memory in use. ENERGY: 4704400 735.3652 2034.8552 1955.0519 106.9025 -206556.1882 17860.2440 0.0000 0.0000 34281.9609 -149581.8086 299.3929 -183863.7695 -149482.4346 298.2778 -109.4767 -72.6766 556529.7121 -1.1015 -1.3492 PRESSURE: 4704600 243.936 -58.4797 -2.73338 -58.4801 -53.1986 2.76031 -2.73428 2.7596 -11.1844 GPRESSURE: 4704600 253.532 -70.7737 -28.3318 42.6346 -5.79454 25.8552 6.81596 -132.498 38.9214 PRESSAVG: 4704600 51.6407 7.48551 -7.62932 7.48562 -14.7159 -7.97875 -7.62933 -7.97893 -51.9053 GPRESSAVG: 4704600 52.6019 6.95071 -8.02297 7.285 -14.7861 -6.78915 -8.88718 -9.41069 -52.5019 TIMING: 4704600 CPU: 13966.1, 0.0029431/step Wall: 13966.1, 0.0029431/step, 0.241498 hours remaining, 209.062500 MB of memory in use. ENERGY: 4704600 738.9626 2056.6218 1897.7262 109.5629 -206245.3357 17768.7239 0.0000 0.0000 34023.2766 -149650.4617 297.1337 -183673.7383 -149560.3341 298.2922 59.8512 95.5528 555965.4097 -4.9935 -4.8954 PRESSURE: 4704800 137.16 119.865 45.3561 119.865 -29.6971 36.4438 45.3555 36.4456 162.69 GPRESSURE: 4704800 225.097 -77.4794 12.2994 225.267 20.0084 11.7542 108.783 64.0168 123.197 PRESSAVG: 4704800 45.7526 -37.7879 -2.90553 -37.7879 -91.3386 31.821 -2.90565 31.8211 24.3266 GPRESSAVG: 4704800 44.8298 -36.8633 -1.9661 -38.3209 -92.5016 29.6064 -4.72816 31.5429 26.5233 TIMING: 4704800 CPU: 13966.7, 0.00296758/step Wall: 13966.7, 0.00296758/step, 0.243342 hours remaining, 209.062500 MB of memory in use. ENERGY: 4704800 752.0866 2025.6420 1915.5446 120.5928 -206298.4028 17958.2943 0.0000 0.0000 34082.2610 -149443.9815 297.6489 -183526.2425 -149349.6246 298.7550 90.0509 122.7675 558373.6211 -7.0865 -7.0495 PRESSURE: 4705000 -49.5827 95.9857 71.637 95.9858 72.9978 23.1208 71.6367 23.1215 -4.91403 GPRESSURE: 4705000 -49.7374 123.417 -0.505117 58.3822 103.966 1.39922 103.08 81.2887 58.3993 PRESSAVG: 4705000 -24.8309 -11.7465 -48.9842 -11.7465 -19.5162 51.8206 -48.9843 51.8206 66.6628 GPRESSAVG: 4705000 -24.61 -10.982 -49.0833 -11.6303 -19.8287 52.3652 -48.5797 51.9581 66.4138 TIMING: 4705000 CPU: 13967.3, 0.00294861/step Wall: 13967.3, 0.00294861/step, 0.241622 hours remaining, 209.062500 MB of memory in use. ENERGY: 4705000 763.2468 2092.4844 1908.4631 104.8859 -206485.4141 17853.4333 0.0000 0.0000 34309.9592 -149452.9412 299.6374 -183762.9004 -149362.4146 298.8983 6.1670 37.5427 555927.4532 7.4386 7.3250 PRESSURE: 4705200 -122.876 -169.991 -131.548 -169.99 -165.014 217.813 -131.549 217.813 -186.075 GPRESSURE: 4705200 -125.776 -129.755 -162.131 -100.759 -120.712 112.365 -110.228 175.835 -122.66 PRESSAVG: 4705200 34.658 -58.5172 28.4761 -58.5173 -63.4927 40.9232 28.4761 40.9232 31.2223 GPRESSAVG: 4705200 35.7573 -58.4886 25.4263 -59.8865 -63.8647 40.7649 29.7091 40.9241 30.6894 TIMING: 4705200 CPU: 13967.9, 0.00295918/step Wall: 13967.9, 0.00295918/step, 0.242324 hours remaining, 209.062500 MB of memory in use. ENERGY: 4705200 747.0121 2135.5918 1940.9790 119.7121 -206376.0751 17765.6199 0.0000 0.0000 34228.7356 -149438.4247 298.9281 -183667.1603 -149343.6347 298.5624 -157.9885 -123.0497 556459.5212 0.7959 0.8607 PRESSURE: 4705400 -4.7421 16.8353 160.415 16.8348 -10.2399 7.02067 160.413 7.02239 147.38 GPRESSURE: 4705400 -4.08523 14.1667 185.564 -2.3923 42.1044 -37.5305 118.405 -17.5996 196.129 PRESSAVG: 4705400 25.6597 -6.88968 52.3164 -6.88954 -91.429 21.4519 52.3164 21.4519 51.7787 GPRESSAVG: 4705400 24.2199 -7.81492 51.793 -6.35215 -90.9738 22.3882 51.9109 21.6758 52.1449 TIMING: 4705400 CPU: 13968.5, 0.00294728/step Wall: 13968.5, 0.00294728/step, 0.241186 hours remaining, 209.062500 MB of memory in use. ENERGY: 4705400 737.0286 2150.7194 1925.5701 102.1895 -206090.5617 17663.8242 0.0000 0.0000 34200.9089 -149310.3211 298.6850 -183511.2300 -149212.3223 299.7486 44.1328 78.0492 556754.2473 -4.6635 -4.8697 PRESSURE: 4705600 95.133 173.921 43.4963 173.922 163.124 55.7832 43.4961 55.7827 154.673 GPRESSURE: 4705600 137.502 153.557 -3.20139 250.524 165.204 -1.18963 -2.56009 72.1312 206.607 PRESSAVG: 4705600 -13.6438 -39.4821 32.6102 -39.4821 -27.6864 19.9895 32.6102 19.9894 53.4249 GPRESSAVG: 4705600 -13.313 -40.2866 33.8787 -37.3423 -26.7471 21.2766 32.7963 20.3978 52.337 TIMING: 4705600 CPU: 13969.1, 0.00293471/step Wall: 13969.1, 0.00293471/step, 0.239994 hours remaining, 209.062500 MB of memory in use. ENERGY: 4705600 750.4953 2132.1662 1919.5307 111.5332 -206689.3359 18028.5759 0.0000 0.0000 34390.2532 -149356.7815 300.3386 -183747.0347 -149257.1443 299.4377 137.6434 169.7709 556786.7464 4.0316 4.0923 PRESSURE: 4705800 -1.44815 52.203 94.8288 52.2035 251.666 234.182 94.828 234.182 255.878 GPRESSURE: 4705800 14.6469 53.8702 147.162 -38.8219 271.79 290.291 24.5809 257.469 314.333 PRESSAVG: 4705800 39.7037 37.8661 45.9125 37.8661 19.8432 35.7618 45.9125 35.7617 -19.3702 GPRESSAVG: 4705800 40.4793 38.4464 47.6944 37.6543 18.6065 35.2875 45.0313 34.4943 -19.0249 TIMING: 4705800 CPU: 13969.7, 0.00291683/step Wall: 13969.7, 0.00291683/step, 0.23837 hours remaining, 209.062500 MB of memory in use. ENERGY: 4705800 730.8984 2135.5563 1900.1305 97.6020 -206213.6563 17997.7635 0.0000 0.0000 34040.2494 -149311.4563 297.2820 -183351.7057 -149214.1047 299.1893 168.6988 200.2565 557506.5484 13.3922 13.3536 PRESSURE: 4706000 214.679 -18.7102 69.2343 -18.7109 -34.9192 -90.9846 69.2352 -90.9849 132.292 GPRESSURE: 4706000 207.541 24.4997 119.551 3.0731 51.8856 -65.7029 84.5517 -107.36 163.02 PRESSAVG: 4706000 15.6493 -24.888 38.0429 -24.888 -25.9632 -7.933 38.043 -7.93298 3.03832 GPRESSAVG: 4706000 15.4895 -24.4164 37.7446 -25.9737 -24.3817 -6.84905 40.1913 -7.40264 2.05614 TIMING: 4706000 CPU: 13970.3, 0.00292169/step Wall: 13970.3, 0.00292168/step, 0.238604 hours remaining, 209.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4706000 744.8322 2110.2877 1910.5334 113.5307 -206559.3422 18043.5746 0.0000 0.0000 34373.3632 -149263.2204 300.1911 -183636.5836 -149174.0937 299.0797 104.0175 140.8154 557752.1748 -2.4252 -2.2787 PRESSURE: 4706200 102.049 -17.7787 15.5529 -17.7783 -17.7083 10.2229 15.553 10.2221 -181.645 GPRESSURE: 4706200 120.781 -57.2101 -24.8228 -23.192 23.4558 105.971 67.221 -28.0294 -142.967 PRESSAVG: 4706200 0.0484329 -25.2165 -26.9734 -25.2164 -7.72698 12.23 -26.9734 12.23 -22.353 GPRESSAVG: 4706200 -1.59477 -24.9402 -28.8982 -25.9386 -8.77528 10.7952 -24.881 12.1335 -20.0695 TIMING: 4706200 CPU: 13970.8, 0.00292652/step Wall: 13970.8, 0.00292652/step, 0.238837 hours remaining, 209.062500 MB of memory in use. ENERGY: 4706200 745.8003 2108.9300 1920.7489 111.3748 -206733.9961 18202.4455 0.0000 0.0000 34333.9847 -149310.7119 299.8472 -183644.6966 -149207.2356 299.2532 -32.4350 0.4231 559454.5165 -10.0105 -10.1465 PRESSURE: 4706400 133.421 -25.6843 203.575 -25.6854 212.18 -56.4387 203.576 -56.4399 96.5705 GPRESSURE: 4706400 189.99 95.8882 320.358 -142.154 231.421 -88.7112 103.386 -44.2298 126.796 PRESSAVG: 4706400 -41.605 -8.00834 -12.4462 -8.00831 45.9088 -28.1415 -12.4461 -28.1413 -10.6159 GPRESSAVG: 4706400 -39.9886 -7.35545 -11.4081 -9.84938 46.0514 -27.2451 -15.0945 -26.7707 -11.6479 TIMING: 4706400 CPU: 13971.4, 0.00293929/step Wall: 13971.4, 0.00293929/step, 0.239716 hours remaining, 209.062500 MB of memory in use. ENERGY: 4706400 717.1808 2059.2863 1957.9888 110.2945 -206708.6728 18333.9638 0.0000 0.0000 34175.2767 -149354.6819 298.4612 -183529.9586 -149250.3306 298.5881 147.3904 182.7358 559561.1325 -2.1040 -1.8617 PRESSURE: 4706600 4.613 116.015 36.388 116.014 -10.2895 -68.1319 36.3871 -68.1304 -151.981 GPRESSURE: 4706600 21.7024 10.1178 82.6558 131.555 -10.5486 -132.097 16.5648 -73.3115 -81.1241 PRESSAVG: 4706600 9.89289 -41.0924 -47.0809 -41.0924 -11.9281 -3.73871 -47.0809 -3.73858 -13.0033 GPRESSAVG: 4706600 8.29385 -42.3935 -46.3249 -38.3667 -11.6666 -5.13724 -47.3576 -3.18277 -12.4285 TIMING: 4706600 CPU: 13972, 0.00294786/step Wall: 13972, 0.00294786/step, 0.240251 hours remaining, 209.062500 MB of memory in use. ENERGY: 4706600 716.2773 2124.8573 1925.1755 111.6750 -206076.9169 17706.6888 0.0000 0.0000 34289.0458 -149203.1973 299.4548 -183492.2431 -149110.4060 299.8417 -52.5525 -23.3234 558650.7556 -5.0128 -5.2671 PRESSURE: 4706800 -107.664 -1.77773 -63.9078 -1.77843 93.2787 54.1414 -63.9074 54.1415 25.5263 GPRESSURE: 4706800 -11.2861 121.716 -54.2024 -19.8951 74.659 120.965 -56.8743 -2.57676 47.1576 PRESSAVG: 4706800 -46.0245 -52.5563 -15.0817 -52.5562 43.3994 -20.1235 -15.0817 -20.1235 -9.27768 GPRESSAVG: 4706800 -44.7074 -50.6321 -17.5914 -51.6483 42.0731 -21.8345 -14.1802 -20.3289 -9.68906 TIMING: 4706800 CPU: 13972.6, 0.00296051/step Wall: 13972.6, 0.00296051/step, 0.241117 hours remaining, 209.062500 MB of memory in use. ENERGY: 4706800 751.7264 2110.9517 1892.9443 123.9157 -206292.4715 17979.7079 0.0000 0.0000 34236.7492 -149196.4763 298.9980 -183433.2255 -149104.8097 299.3872 3.7135 36.8435 557287.4107 -3.9676 -4.1078 PRESSURE: 4707000 7.86469 44.8148 -50.3305 44.8132 165.03 168.07 -50.329 168.068 -125.835 GPRESSURE: 4707000 -8.4446 120.869 -27.2559 63.7187 213.863 99.7998 -118.906 179.54 -53.2316 PRESSAVG: 4707000 -21.6665 -8.6592 -71.4021 -8.65928 -24.0066 14.7704 -71.4021 14.7704 42.2271 GPRESSAVG: 4707000 -22.3109 -8.59145 -68.358 -10.081 -22.3687 15.7759 -72.8958 15.8524 41.5338 TIMING: 4707000 CPU: 13973.2, 0.00294898/step Wall: 13973.2, 0.00294898/step, 0.240014 hours remaining, 209.062500 MB of memory in use. ENERGY: 4707000 728.8102 2117.4243 1922.7684 105.4629 -205904.5402 17782.1957 0.0000 0.0000 34060.2160 -149187.6625 297.4563 -183247.8786 -149093.9032 299.0953 15.6865 50.7289 558291.0694 -1.1487 -1.0486 PRESSURE: 4707200 -88.5772 24.0523 -92.6102 24.0526 -314.263 17.3842 -92.611 17.3839 -324.264 GPRESSURE: 4707200 -95.1321 -105.364 -118.558 108.23 -233.196 69.2752 -78.3392 -46.5091 -296.963 PRESSAVG: 4707200 -28.4044 -22.4029 -12.6787 -22.4029 23.3896 -32.5429 -12.6786 -32.5429 28.3536 GPRESSAVG: 4707200 -28.1144 -25.0199 -14.6718 -22.1006 22.9914 -32.2938 -12.152 -34.2146 28.5917 TIMING: 4707200 CPU: 13973.8, 0.00294389/step Wall: 13973.8, 0.00294389/step, 0.239436 hours remaining, 209.062500 MB of memory in use. ENERGY: 4707200 708.7052 2099.1490 1919.0245 105.7256 -205625.7516 17462.7663 0.0000 0.0000 34169.7624 -149160.6186 298.4130 -183330.3810 -149068.0752 299.2448 -242.3682 -208.4303 559881.3866 7.7796 7.8229 PRESSURE: 4707400 244.072 -142.893 55.431 -142.893 177.198 64.8835 55.4312 64.8834 63.8191 GPRESSURE: 4707400 273.34 -143.983 110.323 -77.5634 255.484 30.8352 -14.3156 177.707 57.9783 PRESSAVG: 4707400 33.2023 -38.0645 76.4373 -38.0645 69.3214 -23.7175 76.4372 -23.7175 -127.592 GPRESSAVG: 4707400 32.3349 -37.4843 76.4901 -35.9889 69.1505 -22.5408 76.3414 -25.127 -127.136 TIMING: 4707400 CPU: 13974.4, 0.00294273/step Wall: 13974.4, 0.00294273/step, 0.239179 hours remaining, 209.062500 MB of memory in use. ENERGY: 4707400 714.4349 2127.9581 1923.3061 106.6409 -206328.0960 18046.4457 0.0000 0.0000 34261.6911 -149147.6193 299.2159 -183409.3103 -149042.0998 299.4926 161.6965 195.6008 558720.7068 -8.3561 -8.5503 PRESSURE: 4707600 -182.988 128.755 66.1399 128.756 -204.171 40.1415 66.1394 40.1418 -226.029 GPRESSURE: 4707600 -176.667 133.185 75.9492 -20.5365 -136.062 -19.1577 80.6731 81.7131 -208.354 PRESSAVG: 4707600 26.2641 -61.1734 -21.1954 -61.1733 88.4975 -29.9178 -21.1954 -29.9177 -81.7979 GPRESSAVG: 4707600 26.5595 -59.6474 -21.7158 -64.6577 89.4261 -29.58 -20.1284 -30.315 -82.9205 TIMING: 4707600 CPU: 13975, 0.00291698/step Wall: 13975, 0.00291698/step, 0.236923 hours remaining, 209.062500 MB of memory in use. ENERGY: 4707600 763.1363 2142.8361 1960.9267 115.8086 -205766.9499 17511.0902 0.0000 0.0000 34217.2703 -149055.8818 298.8279 -183273.1521 -148962.6153 299.3631 -204.3957 -173.6942 558441.0272 10.9879 11.0217 PRESSURE: 4707800 -105.781 47.4711 -153.263 47.4711 109.206 -110.796 -153.262 -110.796 -33.4784 GPRESSURE: 4707800 -41.5014 174.673 -217.462 -7.98333 98.3178 -77.1115 -174.259 -37.7411 12.8882 PRESSAVG: 4707800 12.7022 -15.1271 -2.06525 -15.1271 23.4386 32.2306 -2.06536 32.2305 -66.9664 GPRESSAVG: 4707800 12.69 -14.6446 -2.35253 -13.3854 22.1603 32.1743 -3.21177 33.1785 -65.2133 TIMING: 4707800 CPU: 13975.6, 0.0029196/step Wall: 13975.6, 0.0029196/step, 0.236974 hours remaining, 209.062500 MB of memory in use. ENERGY: 4707800 735.4971 2063.1287 1932.5752 107.5203 -206316.6115 17934.9344 0.0000 0.0000 34299.1218 -149243.8339 299.5428 -183542.9557 -149145.4393 299.8196 -10.0178 23.2348 558064.7342 -10.2752 -10.1210 PRESSURE: 4708000 -49.6237 -103.671 -14.9317 -103.672 -83.6547 -99.4904 -14.9321 -99.49 207.625 GPRESSURE: 4708000 -21.2074 -161.518 17.7697 -108.978 -21.4694 -100.792 -33.578 -32.2498 205.297 PRESSAVG: 4708000 41.1357 -70.4771 -20.8472 -70.477 -47.46 61.3163 -20.8471 61.3163 27.8254 GPRESSAVG: 4708000 41.7673 -72.7255 -20.554 -71.1478 -46.6278 61.8385 -19.3342 61.4308 26.2234 TIMING: 4708000 CPU: 13976.1, 0.00291297/step Wall: 13976.1, 0.00291297/step, 0.236274 hours remaining, 209.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4708000 703.8263 2090.2443 1943.2095 114.7881 -205908.4841 17729.7467 0.0000 0.0000 34064.9879 -149261.6812 297.4980 -183326.6692 -149159.8577 299.1716 24.7821 54.2068 559232.3690 7.1670 7.1210 PRESSURE: 4708200 -180.719 -126.367 168.355 -126.366 -159.92 26.2843 168.353 26.2841 -138.601 GPRESSURE: 4708200 -115.483 -35.3521 203.825 -117.535 -162.687 0.117026 118.478 -8.99787 -110.528 PRESSAVG: 4708200 33.5429 -44.3962 31.2185 -44.3961 -37.9938 86.8656 31.2186 86.8656 37.6079 GPRESSAVG: 4708200 32.155 -44.8314 33.104 -43.2824 -38.3587 85.793 29.7689 88.9828 38.6773 TIMING: 4708200 CPU: 13976.7, 0.00293274/step Wall: 13976.7, 0.00293274/step, 0.237715 hours remaining, 209.062500 MB of memory in use. ENERGY: 4708200 775.6360 2078.5352 1929.7067 113.2426 -206058.2691 17519.2758 0.0000 0.0000 34143.4432 -149498.4296 298.1832 -183641.8728 -149399.9382 298.9149 -159.7463 -129.5658 557382.8857 11.0523 10.8246 LDB: ============= START OF LOAD BALANCING ============== 13980.3 LDB: ============== END OF LOAD BALANCING =============== 13980.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13980.3 LDB: ============= START OF LOAD BALANCING ============== 13980.6 LDB: Largest compute 4801 load 0.022289 is 18.9% of average load 0.118208 LDB: Average compute 0.001735 is 1.5% of average load 0.118208 LDB: TIME 13980.6 LOAD: AVG 0.118208 MAX 0.197733 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.551 MB LDB: TIME 13980.6 LOAD: AVG 0.118208 MAX 0.197733 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.555 MB LDB: TIME 13980.6 LOAD: AVG 0.118208 MAX 0.197733 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.555 MB LDB: ============== END OF LOAD BALANCING =============== 13980.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13980.6 PRESSURE: 4708400 -35.483 -1.792 -68.8711 -1.79315 16.6721 -160.191 -68.8725 -160.19 -143.279 GPRESSURE: 4708400 22.4599 2.92822 100.647 -6.79225 84.4339 -191.366 -116.473 -111.994 -158.422 PRESSAVG: 4708400 19.2484 -33.0578 -54.7683 -33.0579 -2.80615 -25.6861 -54.7683 -25.686 5.17648 GPRESSAVG: 4708400 19.0433 -29.9592 -53.3509 -34.2169 -2.83888 -25.6498 -55.9172 -25.9356 5.32645 TIMING: 4708400 CPU: 13977.3, 0.00301075/step Wall: 13977.3, 0.00301075/step, 0.243871 hours remaining, 210.089844 MB of memory in use. ENERGY: 4708400 746.4772 2152.1010 1909.9286 110.2630 -206238.3472 17844.6855 0.0000 0.0000 33891.1683 -149583.7237 295.9800 -183474.8920 -149482.1981 298.4934 -54.0301 -17.1760 557087.0740 7.2063 7.1770 PRESSURE: 4708600 82.1037 126.223 62.6062 126.223 -62.7085 -71.3501 62.6059 -71.3501 71.0924 GPRESSURE: 4708600 100.749 119.922 61.7324 -22.4521 -31.8629 4.64967 -30.4894 -92.0023 117.628 PRESSAVG: 4708600 -14.1471 -12.8391 20.2876 -12.8391 44.7875 -7.39496 20.2876 -7.39498 4.64959 GPRESSAVG: 4708600 -15.0312 -17.0013 17.3931 -11.414 44.7303 -8.60022 22.4116 -7.23947 5.16255 TIMING: 4708600 CPU: 13977.9, 0.00294381/step Wall: 13977.9, 0.00294381/step, 0.238285 hours remaining, 210.289062 MB of memory in use. ENERGY: 4708600 741.7891 2048.8915 1936.0496 115.2006 -206536.7265 17936.0443 0.0000 0.0000 34103.8243 -149654.9273 297.8372 -183758.7516 -149559.2130 297.9691 30.1626 62.1711 557293.7182 11.7633 11.6206 PRESSURE: 4708800 133.624 -124.513 12.7855 -124.511 217.809 62.6575 12.7847 62.658 0.557559 GPRESSURE: 4708800 151.018 -103.347 -24.9131 -87.8561 227.065 49.9805 52.5931 55.3463 73.7977 PRESSAVG: 4708800 46.9881 24.7821 1.35682 24.7821 -14.8531 -5.62437 1.3567 -5.62434 14.3305 GPRESSAVG: 4708800 48.809 25.1201 2.47754 26.2289 -14.824 -3.45297 0.703385 -6.66391 13.0549 TIMING: 4708800 CPU: 13978.5, 0.00295118/step Wall: 13978.5, 0.00295118/step, 0.238718 hours remaining, 210.289062 MB of memory in use. ENERGY: 4708800 746.1188 2040.3046 1906.7598 114.4497 -206609.7158 17891.6330 0.0000 0.0000 34236.4793 -149673.9706 298.9957 -183910.4498 -149577.1434 298.3310 117.3300 150.6268 555651.8328 15.4885 15.6800 PRESSURE: 4709000 107.723 -164.632 -112.411 -164.632 -76.7053 58.1442 -112.412 58.1446 -65.3278 GPRESSURE: 4709000 134.22 -256.662 -146.694 -122.859 -106.291 -59.1519 -160.324 97.2122 46.3938 PRESSAVG: 4709000 -32.9989 1.15854 3.44227 1.15855 38.6619 0.359719 3.44231 0.359793 43.4784 GPRESSAVG: 4709000 -33.0813 3.11555 3.18783 0.274365 37.19 -3.65484 4.57662 2.41128 44.9548 TIMING: 4709000 CPU: 13979.1, 0.00294098/step Wall: 13979.1, 0.00294098/step, 0.237729 hours remaining, 210.289062 MB of memory in use. ENERGY: 4709000 736.3692 2120.6581 1919.7157 108.7421 -206729.3677 17985.8860 0.0000 0.0000 34199.0896 -149658.9070 298.6692 -183857.9965 -149557.1254 298.9098 -11.4368 24.7741 555735.4800 16.3804 16.3545 PRESSURE: 4709200 -110.364 35.6986 81.745 35.698 -185.92 11.3699 81.7443 11.3693 27.8446 GPRESSURE: 4709200 -136.001 25.8032 128.327 39.442 -128.157 -9.46586 64.2043 40.9425 87.4134 PRESSAVG: 4709200 41.6576 -10.8787 -50.6377 -10.8788 -75.8173 21.0674 -50.6376 21.0674 52.1485 GPRESSAVG: 4709200 42.4525 -10.3744 -50.4916 -12.7558 -74.2085 23.7022 -53.0175 21.1559 48.9979 TIMING: 4709200 CPU: 13979.7, 0.00295556/step Wall: 13979.7, 0.00295556/step, 0.238744 hours remaining, 210.417969 MB of memory in use. ENERGY: 4709200 728.6954 2125.3627 1942.0375 114.8651 -206391.7323 17775.5749 0.0000 0.0000 34048.1354 -149657.0614 297.3508 -183705.1968 -149558.1881 298.5564 -89.4797 -58.9148 556182.6440 5.9963 5.7473 PRESSURE: 4709400 92.4767 -105.05 -225.825 -105.05 -112.92 59.8614 -225.826 59.8609 63.1699 GPRESSURE: 4709400 126.184 -38.3297 -166.605 -90.9373 -100.863 66.2976 -162 51.7564 126.767 PRESSAVG: 4709400 29.2932 28.4846 -45.7361 28.4846 15.3218 13.7957 -45.7361 13.7958 -12.224 GPRESSAVG: 4709400 27.0489 28.9914 -46.8856 29.7559 15.0099 12.73 -43.7919 12.2622 -9.50455 TIMING: 4709400 CPU: 13980.3, 0.00295433/step Wall: 13980.3, 0.00295433/step, 0.23848 hours remaining, 210.417969 MB of memory in use. ENERGY: 4709400 735.3973 2088.3751 1957.0282 98.1268 -206358.2867 17866.5403 0.0000 0.0000 34209.9878 -149402.8312 298.7643 -183612.8190 -149307.3720 298.6747 14.2423 50.6963 556578.2700 10.7970 10.8514 PRESSURE: 4709600 -174.618 124.188 6.29734 124.189 -204.318 -113.064 6.29694 -113.065 -173.267 GPRESSURE: 4709600 -119.523 163.383 24.4455 92.446 -130.607 -130.606 -45.2152 -76.4666 -191.41 PRESSAVG: 4709600 22.6159 0.661549 -30.9677 0.661537 -36.006 -11.0327 -30.9677 -11.0327 -2.38334 GPRESSAVG: 4709600 22.6494 -1.24701 -29.9096 0.890953 -35.458 -11.5332 -33.317 -9.6257 -2.41156 TIMING: 4709600 CPU: 13980.9, 0.00296726/step Wall: 13980.9, 0.00296726/step, 0.239359 hours remaining, 210.417969 MB of memory in use. ENERGY: 4709600 744.7542 2114.5222 1948.3451 105.1776 -205975.3799 17477.7690 0.0000 0.0000 34127.2987 -149457.5132 298.0422 -183584.8119 -149365.4919 297.7899 -184.0680 -147.1800 557800.1750 -5.2578 -5.0734 PRESSURE: 4709800 -247.378 15.8751 22.7127 15.8746 -399.715 -49.0763 22.7127 -49.0754 45.6634 GPRESSURE: 4709800 -197.446 52.7519 52.5051 14.0773 -379.872 -31.3683 13.193 -25.3378 61.0827 PRESSAVG: 4709800 27.8464 62.4253 -13.7727 62.4252 7.20709 -61.9145 -13.7726 -61.9144 0.103398 GPRESSAVG: 4709800 29.6141 62.9712 -12.5762 61.9126 5.62863 -60.0102 -13.4164 -61.6964 -0.437821 TIMING: 4709800 CPU: 13981.5, 0.00298381/step Wall: 13981.5, 0.00298382/step, 0.240529 hours remaining, 210.417969 MB of memory in use. ENERGY: 4709800 753.6662 2121.0888 1933.4170 103.6703 -205792.0627 17505.0286 0.0000 0.0000 33990.7880 -149384.4038 296.8500 -183375.1918 -149285.5899 298.2196 -200.4764 -172.0781 558645.8843 11.7190 11.6017 PRESSURE: 4710000 -47.3964 27.8081 -113.311 27.8085 -139.594 -47.4889 -113.31 -47.4892 -63.6303 GPRESSURE: 4710000 56.7738 48.6251 -61.3885 -14.162 -193.002 32.4222 -184.28 -111.695 -18.6821 PRESSAVG: 4710000 22.3047 -13.3891 28.5991 -13.3892 -56.1952 -46.3925 28.5992 -46.3925 28.5096 GPRESSAVG: 4710000 21.3667 -12.7175 29.0491 -12.9255 -55.8695 -47.0903 27.0276 -47.8274 29.1909 TIMING: 4710000 CPU: 13982.1, 0.002967/step Wall: 13982.1, 0.002967/step, 0.239008 hours remaining, 210.417969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4710000 729.9400 2092.9976 1959.2780 116.3763 -206190.7659 17572.9627 0.0000 0.0000 34399.6362 -149319.5752 300.4206 -183719.2114 -149225.1767 299.0712 -83.5403 -51.6369 557832.4895 -1.7937 -1.7707 PRESSURE: 4710200 59.851 -44.4973 -23.2665 -44.4971 -133.894 217.375 -23.268 217.376 -171.266 GPRESSURE: 4710200 93.3697 -57.0995 -8.26706 -35.3513 -135.976 136.641 -42.6017 273.813 -111.744 PRESSAVG: 4710200 -2.42779 -38.0592 -1.01926 -38.0591 0.991018 -37.8854 -1.01932 -37.8854 -8.05188 GPRESSAVG: 4710200 -3.13052 -40.0548 -1.83319 -38.013 3.43463 -37.8074 0.765162 -36.5328 -9.98039 TIMING: 4710200 CPU: 13982.6, 0.00294912/step Wall: 13982.6, 0.00294912/step, 0.237404 hours remaining, 210.417969 MB of memory in use. ENERGY: 4710200 749.4210 2070.7550 1921.5969 111.3290 -206542.3303 17794.3633 0.0000 0.0000 34371.8960 -149522.9691 300.1783 -183894.8651 -149424.7302 298.8368 -81.7696 -51.4503 556625.0126 -3.1629 -3.2254 PRESSURE: 4710400 -89.7495 -2.92009 -203.535 -2.91921 -237.292 11.1848 -203.535 11.1837 61.7873 GPRESSURE: 4710400 -19.4159 -74.2604 -213.014 101.645 -186.104 37.7775 -160.35 75.2315 29.9667 PRESSAVG: 4710400 -0.447551 35.5256 -3.85826 35.5256 37.429 -17 -3.85822 -16.9999 -8.15499 GPRESSAVG: 4710400 0.860386 38.2489 -4.30265 34.1817 35.2036 -14.7727 -3.83781 -18.8383 -7.21932 TIMING: 4710400 CPU: 13983.2, 0.00294713/step Wall: 13983.2, 0.00294713/step, 0.23708 hours remaining, 210.417969 MB of memory in use. ENERGY: 4710400 736.2109 2095.4114 1930.8012 120.6966 -206171.0440 17624.7621 0.0000 0.0000 34267.3335 -149395.8283 299.2651 -183663.1618 -149298.1704 299.2908 -88.4180 -58.5178 556878.5279 9.6088 9.6149 PRESSURE: 4710600 -182.339 -131.23 87.1368 -131.23 34.3437 150.791 87.1374 150.791 -103.451 GPRESSURE: 4710600 -86.8261 -114.096 201.934 -181.069 86.7843 151.773 51.7328 137.133 -160.312 PRESSAVG: 4710600 -41.1193 18.4036 16.2019 18.4036 -14.9076 -8.10771 16.202 -8.10779 47.1156 GPRESSAVG: 4710600 -40.2201 19.3594 16.4705 16.0331 -13.5403 -12.1245 17.2184 -5.5741 45.4892 TIMING: 4710600 CPU: 13983.8, 0.00296842/step Wall: 13983.8, 0.00296842/step, 0.238628 hours remaining, 210.484375 MB of memory in use. ENERGY: 4710600 751.1361 2132.9254 1907.8497 119.6447 -206365.4485 17687.1419 0.0000 0.0000 34452.9082 -149313.8425 300.8858 -183766.7507 -149211.1237 299.1743 -83.8155 -53.4512 556948.1997 -2.9704 -2.7571 PRESSURE: 4710800 -168.844 116.295 -10.7616 116.293 -27.3423 158.658 -10.7608 158.657 -205.741 GPRESSURE: 4710800 -69.4353 24.3269 -131.138 224.056 15.2345 150.064 72.7929 123.12 -251.861 PRESSAVG: 4710800 -3.77594 -11.6137 40.495 -11.6137 18.8091 2.79647 40.495 2.79656 -18.6191 GPRESSAVG: 4710800 -3.98807 -14.5861 39.8858 -7.43765 18.8024 4.42691 40.7895 0.231758 -18.8898 TIMING: 4710800 CPU: 13984.4, 0.00293582/step Wall: 13984.4, 0.00293582/step, 0.235844 hours remaining, 210.484375 MB of memory in use. ENERGY: 4710800 758.3767 2127.5408 1905.9474 109.9282 -206386.0499 17781.5845 0.0000 0.0000 34227.7710 -149474.9013 298.9196 -183702.6723 -149375.9880 298.8829 -133.9757 -102.0206 557586.6551 -1.1953 -1.3585 PRESSURE: 4711000 282.649 92.9366 189.401 92.9359 300.227 -89.036 189.401 -89.036 -68.0015 GPRESSURE: 4711000 327 55.1638 129.931 111.065 283.785 -146.72 93.7114 -104.532 8.46131 PRESSAVG: 4711000 0.826605 -7.58497 59.3414 -7.58496 -15.9045 23.8513 59.3415 23.8513 46.7747 GPRESSAVG: 4711000 0.50995 -7.11841 57.5383 -8.27911 -15.9784 24.6905 58.9973 24.3586 47.4163 TIMING: 4711000 CPU: 13985, 0.00293119/step Wall: 13985, 0.00293119/step, 0.235309 hours remaining, 210.484375 MB of memory in use. ENERGY: 4711000 729.2497 2103.0735 1915.8588 128.8919 -206510.0407 18098.1960 0.0000 0.0000 34213.8117 -149320.9591 298.7977 -183534.7708 -149235.2433 298.9900 171.6248 206.4157 557118.8157 10.5656 10.6493 PRESSURE: 4711200 71.9684 68.66 78.9127 68.6605 -10.6128 98.8952 78.9129 98.8945 -123.928 GPRESSURE: 4711200 92.7898 -3.82332 162.981 21.1051 43.9671 90.7603 73.3919 163.993 -105.872 PRESSAVG: 4711200 29.5605 -27.2013 39.9152 -27.2012 52.6474 50.6594 39.9152 50.6594 -16.8177 GPRESSAVG: 4711200 30.4554 -27.8531 43.089 -28.1459 52.0888 50.0719 40.0352 50.3755 -16.955 TIMING: 4711200 CPU: 13985.6, 0.00293455/step Wall: 13985.6, 0.00293455/step, 0.235416 hours remaining, 210.484375 MB of memory in use. ENERGY: 4711200 747.0907 2142.2576 1892.4295 108.7147 -206383.5312 17862.9084 0.0000 0.0000 34341.7373 -149288.3932 299.9149 -183630.1304 -149183.6127 299.3813 -20.8573 10.2950 557231.7394 21.7967 21.8631 PRESSURE: 4711400 84.493 -0.921855 33.4874 -0.921588 213.755 27.7664 33.4869 27.7662 200.621 GPRESSURE: 4711400 132.554 -2.39514 56.8529 26.1969 254.661 134.288 58.4923 -6.9965 217.598 PRESSAVG: 4711400 53.6356 38.7901 13.3458 38.7901 -39.9254 45.7195 13.3457 45.7195 -26.0176 GPRESSAVG: 4711400 52.0034 38.8731 10.6899 38.2273 -39.7378 45.9797 14.7274 45.3312 -24.7773 TIMING: 4711400 CPU: 13986.2, 0.00292148/step Wall: 13986.2, 0.00292148/step, 0.234205 hours remaining, 210.484375 MB of memory in use. ENERGY: 4711400 718.2143 2059.8439 1930.9911 114.7619 -206695.1741 18138.3962 0.0000 0.0000 34297.8556 -149435.1110 299.5317 -183732.9666 -149337.6782 299.1426 166.2895 201.6045 557186.1652 -4.1025 -4.1706 PRESSURE: 4711600 -176.259 32.2629 -110.453 32.2625 331.426 -65.2682 -110.453 -65.2687 118.141 GPRESSURE: 4711600 -117.463 65.159 -103.281 -25.7355 359.987 -53.6521 -49.5035 -66.4104 133.16 PRESSAVG: 4711600 -19.9908 -8.62191 26.4519 -8.62198 70.3209 15.307 26.452 15.3069 -37.6283 GPRESSAVG: 4711600 -18.6103 -6.07362 25.8132 -8.1909 69.1073 15.8323 26.5661 14.4054 -37.77 TIMING: 4711600 CPU: 13986.8, 0.00294047/step Wall: 13986.8, 0.00294047/step, 0.235564 hours remaining, 210.484375 MB of memory in use. ENERGY: 4711600 742.8132 2080.8441 1904.9841 114.4456 -206503.3145 17952.0622 0.0000 0.0000 34309.9315 -149398.2339 299.6372 -183708.1654 -149303.5955 298.2079 91.1023 125.2281 558014.6206 4.2339 4.2423 PRESSURE: 4711800 -51.3893 60.1942 252.318 60.1952 -122.857 -2.4829 252.318 -2.48282 63 GPRESSURE: 4711800 -66.3579 52.7543 269.963 49.0136 -116.079 -43.1967 139.597 115.076 158.117 PRESSAVG: 4711800 -13.3615 23.34 1.93366 23.34 -14.5369 26.828 1.93366 26.8281 6.72451 GPRESSAVG: 4711800 -15.1206 21.3025 3.02991 23.8237 -13.823 26.958 0.469186 26.8314 7.16117 TIMING: 4711800 CPU: 13987.4, 0.00295271/step Wall: 13987.4, 0.00295271/step, 0.236381 hours remaining, 210.484375 MB of memory in use. ENERGY: 4711800 726.7354 2103.4812 1894.4388 112.2858 -206128.3428 17696.7928 0.0000 0.0000 34210.5906 -149384.0181 298.7696 -183594.6087 -149290.6362 298.3019 -37.0822 -8.1066 557804.3744 -7.0580 -7.2608 PRESSURE: 4712000 -123.017 -1.66052 297.505 -1.66144 -151.343 43.3212 297.506 43.32 -212.34 GPRESSURE: 4712000 -134.014 -64.909 349.346 162.28 -79.0285 123.196 267.863 0.406434 -180.024 PRESSAVG: 4712000 45.3995 -0.064855 26.556 -0.0648341 -4.47683 33.7812 26.556 33.7811 -46.8076 GPRESSAVG: 4712000 46.7107 0.221874 28.3696 1.67364 -4.12457 35.698 27.5637 31.8253 -48.5902 TIMING: 4712000 CPU: 13987.9, 0.00297414/step Wall: 13987.9, 0.00297414/step, 0.237931 hours remaining, 210.484375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4712000 768.0276 2099.5268 1923.4209 115.8554 -206129.9395 17736.8418 0.0000 0.0000 34124.1348 -149362.1321 298.0146 -183486.2669 -149264.7341 298.9389 -162.2337 -131.0222 558630.2495 -1.9616 -2.0014 PRESSURE: 4712200 24.7077 161.799 71.0142 161.8 137.142 -73.0668 71.0145 -73.0677 229.493 GPRESSURE: 4712200 67.5461 108.816 114.675 222.157 202.234 -105.173 5.55925 -63.8115 215.936 PRESSAVG: 4712200 -27.5088 44.2059 71.6123 44.2059 -2.3542 -26.7418 71.6123 -26.7418 39.6534 GPRESSAVG: 4712200 -28.4279 45.4265 71.7407 39.6099 -2.3575 -28.3942 71.1999 -24.6339 40.6735 TIMING: 4712200 CPU: 13988.5, 0.0029506/step Wall: 13988.5, 0.0029506/step, 0.235884 hours remaining, 210.484375 MB of memory in use. ENERGY: 4712200 775.3005 2069.5744 1917.4354 108.6002 -206734.9745 18293.1750 0.0000 0.0000 34170.2987 -149400.5903 298.4177 -183570.8890 -149307.9075 298.7886 130.4477 161.9052 556331.3834 3.2635 3.2960 LDB: ============= START OF LOAD BALANCING ============== 13992.1 LDB: ============== END OF LOAD BALANCING =============== 13992.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13992.1 LDB: ============= START OF LOAD BALANCING ============== 13992.4 LDB: Largest compute 4801 load 0.021449 is 18.1% of average load 0.118333 LDB: Average compute 0.001730 is 1.5% of average load 0.118333 LDB: TIME 13992.4 LOAD: AVG 0.118333 MAX 0.197864 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.961 MB LDB: TIME 13992.4 LOAD: AVG 0.118333 MAX 0.197864 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.961 MB LDB: TIME 13992.4 LOAD: AVG 0.118333 MAX 0.197864 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.961 MB LDB: ============== END OF LOAD BALANCING =============== 13992.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13992.4 PRESSURE: 4712400 111.613 214.49 25.5223 214.491 -99.1949 152.799 25.5225 152.798 -7.80046 GPRESSURE: 4712400 112.756 171.14 -1.64746 212.699 -43.0357 109.737 61.366 118.636 30.2686 PRESSAVG: 4712400 26.8533 54.2316 -4.52018 54.2316 -54.2036 -9.71854 -4.52016 -9.71862 37.9248 GPRESSAVG: 4712400 27.4564 53.135 -5.47992 57.217 -54.1741 -10.1617 -5.18699 -9.07548 37.4944 TIMING: 4712400 CPU: 13989.1, 0.00299245/step Wall: 13989.1, 0.00299245/step, 0.239064 hours remaining, 208.808594 MB of memory in use. ENERGY: 4712400 741.8904 2037.8634 1934.9401 96.3743 -206646.4261 17915.6940 0.0000 0.0000 34351.1175 -149568.5463 299.9969 -183919.6639 -149466.1292 299.4737 1.5394 33.3297 556494.0942 3.5248 3.5922 PRESSURE: 4712600 -173.137 6.1584 -213.819 6.15973 -59.9765 -34.4905 -213.821 -34.4911 -133.504 GPRESSURE: 4712600 -100.615 -29.0896 -207.397 47.7471 -78.5495 -72.0592 -119.14 -15.8657 -76.1387 PRESSAVG: 4712600 -16.7019 18.3122 35.7865 18.3122 2.31743 76.5397 35.7865 76.5397 0.933611 GPRESSAVG: 4712600 -16.8889 17.7765 35.3622 18.3246 1.98449 77.0444 36.4463 76.6343 0.843511 TIMING: 4712600 CPU: 13989.7, 0.00296608/step Wall: 13989.7, 0.00296608/step, 0.236792 hours remaining, 209.007812 MB of memory in use. ENERGY: 4712600 730.6599 2091.6182 1928.9576 109.5579 -206385.2172 17607.1356 0.0000 0.0000 34174.6689 -149742.6191 298.4559 -183917.2880 -149646.3318 298.6282 -122.2060 -85.1012 556076.0731 -4.4836 -4.6870 PRESSURE: 4712800 -59.2402 -21.6291 -6.17434 -21.6275 -142.604 130.837 -6.1733 130.837 -105.443 GPRESSURE: 4712800 -21.4461 4.78842 12.0238 61.7795 -131.524 120.198 -89.113 180.003 -63.2635 PRESSAVG: 4712800 8.09744 38.4374 -9.27264 38.4374 34.3744 -3.65944 -9.27245 -3.65946 -17.4605 GPRESSAVG: 4712800 8.1679 38.9444 -10.0977 37.8047 34.3686 -5.40562 -9.09755 -2.16299 -17.0741 TIMING: 4712800 CPU: 13990.3, 0.00295408/step Wall: 13990.3, 0.00295408/step, 0.23567 hours remaining, 209.007812 MB of memory in use. ENERGY: 4712800 768.2753 2045.0092 1917.6474 112.1136 -206525.9716 17838.8078 0.0000 0.0000 34103.0259 -149741.0923 297.8302 -183844.1182 -149646.7461 297.6945 -102.4292 -72.0777 555601.2684 8.3371 8.4875 PRESSURE: 4713000 71.2413 -139.661 200.931 -139.662 55.5228 -10.8727 200.933 -10.8717 -5.93104 GPRESSURE: 4713000 52.9429 -107.97 150.007 -179.034 104.978 46.6445 207.573 -85.9051 58.1045 PRESSAVG: 4713000 28.7527 22.3292 24.2144 22.3292 -51.8896 0.222878 24.2144 0.222737 9.54207 GPRESSAVG: 4713000 28.5913 22.6008 25.9984 22.6463 -52.1876 0.564702 24.6999 -2.81554 10.2713 TIMING: 4713000 CPU: 13990.9, 0.00294278/step Wall: 13990.9, 0.00294278/step, 0.234605 hours remaining, 209.007812 MB of memory in use. ENERGY: 4713000 742.9161 2180.6333 1894.4066 105.7282 -206757.9014 17928.2721 0.0000 0.0000 34118.6398 -149787.3053 297.9666 -183905.9451 -149696.4924 297.5600 40.2777 72.0084 556388.7497 -4.5316 -4.4417 PRESSURE: 4713200 -294.574 149.031 -24.3737 149.03 -92.3107 35.3205 -24.3736 35.3225 -3.0326 GPRESSURE: 4713200 -273.533 85.5095 23.2585 86.6915 -36.1856 54.2459 -73.4747 24.758 5.96657 PRESSAVG: 4713200 -4.21786 20.0704 -21.9423 20.0703 9.60046 31.5916 -21.9423 31.5918 32.2675 GPRESSAVG: 4713200 -3.75561 18.0579 -23.6121 20.7438 10.4617 33.3844 -21.1888 32.3202 30.8629 TIMING: 4713200 CPU: 13991.5, 0.00296914/step Wall: 13991.5, 0.00296914/step, 0.236541 hours remaining, 209.007812 MB of memory in use. ENERGY: 4713200 746.6048 2101.2048 1916.6764 116.6644 -206577.5509 17742.5611 0.0000 0.0000 34161.9909 -149791.8486 298.3452 -183953.8394 -149696.9782 298.0803 -129.9723 -101.2508 555981.2499 12.5500 12.5230 PRESSURE: 4713400 -141.784 58.3141 -194.11 58.3135 54.3943 73.6687 -194.11 73.6676 -29.5788 GPRESSURE: 4713400 -195.812 76.9766 -162.767 -7.33863 157.22 -17.2594 -237.698 66.6991 14.9355 PRESSAVG: 4713400 -44.649 -8.53044 -60.377 -8.53058 58.7694 -13.9439 -60.3771 -13.9439 5.9367 GPRESSAVG: 4713400 -44.804 -7.09303 -57.044 -9.00547 58.108 -15.5594 -61.2879 -14.1446 7.58954 TIMING: 4713400 CPU: 13992.1, 0.00294262/step Wall: 13992.1, 0.00294262/step, 0.234265 hours remaining, 209.007812 MB of memory in use. ENERGY: 4713400 739.0234 2048.2893 1925.9039 111.1466 -206829.0786 17898.4445 0.0000 0.0000 34124.3463 -149981.9245 298.0164 -184106.2708 -149874.3460 297.6841 -38.9896 -7.8856 555439.8286 6.6857 6.9645 PRESSURE: 4713600 363.863 -44.125 -3.82868 -44.1242 182.607 58.2904 -3.82853 58.2909 -99.2168 GPRESSURE: 4713600 338.022 -86.5494 58.7321 19.3763 219.998 60.3052 17.9286 25.1079 -13.9557 PRESSAVG: 4713600 -26.8973 42.0587 -19.6263 42.0587 29.6781 -11.9169 -19.6264 -11.917 37.9465 GPRESSAVG: 4713600 -27.517 41.1723 -22.422 42.9015 31.2672 -13.6193 -17.8804 -10.8636 37.983 TIMING: 4713600 CPU: 13992.7, 0.00291887/step Wall: 13992.7, 0.00291887/step, 0.232212 hours remaining, 209.007812 MB of memory in use. ENERGY: 4713600 743.2052 2154.0555 1914.2678 115.1460 -206865.1255 18137.9487 0.0000 0.0000 34046.9259 -149753.5764 297.3403 -183800.5024 -149662.4878 297.5471 149.0844 181.3548 556222.9578 13.5758 13.9111 PRESSURE: 4713800 161.339 90.691 -61.0001 90.6916 110.914 -240.618 -61.0012 -240.618 -197.909 GPRESSURE: 4713800 176.16 122.332 -63.0591 98.9579 190.462 -299.851 -106.835 -236.55 -198.419 PRESSAVG: 4713800 -49.3202 62.3783 -35.3641 62.3785 -25.281 -16.1274 -35.3641 -16.1273 46.9807 GPRESSAVG: 4713800 -49.0245 62.9048 -32.331 63.1301 -25.194 -16.0003 -38.1742 -15.655 46.4751 TIMING: 4713800 CPU: 13993.3, 0.00294235/step Wall: 13993.3, 0.00294235/step, 0.233917 hours remaining, 209.007812 MB of memory in use. ENERGY: 4713800 747.4424 2126.8757 1927.6268 110.9892 -206352.7482 17730.5750 0.0000 0.0000 34039.0989 -149670.1401 297.2719 -183709.2390 -149583.5559 297.4048 24.7814 56.0676 555483.0418 -9.2068 -9.2478 PRESSURE: 4714000 -32.1789 72.7291 167.312 72.7298 1.20536 132.833 167.312 132.834 261.977 GPRESSURE: 4714000 12.227 119.978 46.024 70.6277 7.83251 127.994 196.744 159.158 308.926 PRESSAVG: 4714000 -58.3093 76.6963 -15.3594 76.6962 -21.1864 -42.0803 -15.3596 -42.0805 73.4305 GPRESSAVG: 4714000 -57.8078 77.5771 -17.1053 75.7793 -22.156 -43.0066 -12.8526 -40.8949 74.1357 TIMING: 4714000 CPU: 13993.8, 0.00293001/step Wall: 13993.8, 0.00293001/step, 0.232773 hours remaining, 209.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4714000 715.5141 2143.9045 1944.3426 108.7545 -206484.9617 17886.6753 0.0000 0.0000 34041.3133 -149644.4575 297.2913 -183685.7708 -149545.6966 297.9010 77.0011 109.6619 555816.2480 -2.0217 -1.9427 PRESSURE: 4714200 -9.62161 156.951 -22.6788 156.95 -72.8548 -46.1569 -22.6786 -46.1572 -155.796 GPRESSURE: 4714200 3.54587 152.171 -45.636 96.7737 7.49035 46.0423 -3.17771 -63.6698 -151.952 PRESSAVG: 4714200 39.7143 57.265 -1.35965 57.265 -59.9945 -19.8704 -1.35964 -19.8705 22.7738 GPRESSAVG: 4714200 39.8182 56.7397 -1.33362 54.9197 -60.6042 -19.1764 -1.98976 -20.9782 22.8905 TIMING: 4714200 CPU: 13994.4, 0.00292148/step Wall: 13994.4, 0.00292148/step, 0.231933 hours remaining, 209.007812 MB of memory in use. ENERGY: 4714200 760.5816 2154.1210 1908.4861 117.7287 -206121.6562 17569.7053 0.0000 0.0000 34052.0621 -149558.9715 297.3851 -183611.0335 -149465.6020 298.2914 -79.4243 -46.9720 557034.2217 0.8312 0.7015 PRESSURE: 4714400 -30.7515 24.4194 48.3992 24.4208 -84.3247 -134.419 48.3997 -134.42 55.6429 GPRESSURE: 4714400 38.6696 43.436 33.1294 -19.7437 -63.641 -94.7039 90.3705 -84.5147 57.5408 PRESSAVG: 4714400 41.8365 -0.673832 -42.6295 -0.673829 -34.4726 -8.47343 -42.6296 -8.47343 -36.3265 GPRESSAVG: 4714400 42.4226 -0.136574 -41.9817 1.55854 -33.2299 -7.11489 -44.0511 -9.65975 -37.8086 TIMING: 4714400 CPU: 13995, 0.00291936/step Wall: 13995, 0.00291936/step, 0.231603 hours remaining, 209.007812 MB of memory in use. ENERGY: 4714400 742.0427 2108.2566 1939.8358 109.6312 -206345.8935 17691.2448 0.0000 0.0000 34151.3322 -149603.5502 298.2521 -183754.8824 -149508.7179 298.6381 -19.8111 10.8564 556102.2448 -9.6542 -9.5386 PRESSURE: 4714600 155.605 -8.17359 -89.0043 -8.1715 131.267 -47.1713 -89.0056 -47.1729 123.17 GPRESSURE: 4714600 172.743 81.2795 -43.0729 -107.314 187.988 -56.006 -187.986 -36.3467 147.097 PRESSAVG: 4714600 27.6933 -18.8644 29.2896 -18.8644 43.3827 -10.2507 29.2896 -10.2508 -44.4063 GPRESSAVG: 4714600 25.9171 -18.2515 29.0721 -19.6733 43.3866 -10.1649 31.6286 -10.4032 -42.5545 TIMING: 4714600 CPU: 13995.6, 0.00290437/step Wall: 13995.6, 0.00290437/step, 0.230252 hours remaining, 209.007812 MB of memory in use. ENERGY: 4714600 724.4923 2133.6648 1907.9774 116.7932 -206734.0457 18243.5922 0.0000 0.0000 33927.3576 -149680.1683 296.2961 -183607.5258 -149590.6087 297.9764 136.6805 169.2758 557926.1551 8.8899 8.9164 PRESSURE: 4714800 5.64938 -71.7215 179.427 -71.7208 -63.7239 -99.429 179.427 -99.4281 -73.7641 GPRESSURE: 4714800 49.4908 -76.7499 130.46 -99.6467 -15.6392 -148.08 236.617 -65.1612 -68.9371 PRESSAVG: 4714800 16.4474 -30.9011 -5.60133 -30.9011 21.4494 -38.8203 -5.60134 -38.8202 -41.4586 GPRESSAVG: 4714800 18.7212 -30.9827 -6.97835 -29.8072 19.7462 -38.8261 -5.76271 -37.7236 -41.6292 TIMING: 4714800 CPU: 13996.2, 0.00291238/step Wall: 13996.2, 0.00291238/step, 0.230725 hours remaining, 209.007812 MB of memory in use. ENERGY: 4714800 751.1836 2077.9792 1929.2984 111.2560 -206468.1249 17807.7773 0.0000 0.0000 34186.1374 -149604.4929 298.5560 -183790.6304 -149515.5131 298.4080 -43.9462 -11.6952 557210.2261 -1.1873 -1.0539 PRESSURE: 4715000 23.8528 0.381938 -177.55 0.381773 -194.754 89.1048 -177.55 89.1059 -255.325 GPRESSURE: 4715000 32.1079 22.5468 -113.656 -22.7461 -145.047 73.6053 -211.023 41.2889 -213.994 PRESSAVG: 4715000 5.65788 2.13268 -12.0553 2.13262 0.0096086 13.7893 -12.0553 13.7893 -4.98719 GPRESSAVG: 4715000 5.29336 2.20795 -10.5715 -0.26115 1.70062 14.0538 -13.1881 12.1007 -6.68101 TIMING: 4715000 CPU: 13996.8, 0.00292988/step Wall: 13996.8, 0.00292988/step, 0.231949 hours remaining, 209.007812 MB of memory in use. ENERGY: 4715000 760.2044 2054.1865 1947.8827 115.4939 -206329.2529 17634.8423 0.0000 0.0000 34240.0597 -149576.5833 299.0270 -183816.6430 -149480.2558 298.4526 -142.0754 -108.9775 558516.2448 0.2268 0.1043 PRESSURE: 4715200 50.274 -71.8037 -33.0252 -71.8045 -49.5201 -101.729 -33.0262 -101.729 342.384 GPRESSURE: 4715200 171.699 -36.1447 -40.9369 -99.1908 -69.4522 -136.099 -7.65252 -109.912 346.951 PRESSAVG: 4715200 -18.8583 -12.4885 -22.431 -12.4885 -14.2892 8.38571 -22.431 8.38565 26.0407 GPRESSAVG: 4715200 -19.7911 -13.4601 -23.9693 -12.5057 -14.424 8.1954 -22.1042 9.37907 27.3778 TIMING: 4715200 CPU: 13997.4, 0.0029287/step Wall: 13997.4, 0.0029287/step, 0.231693 hours remaining, 209.007812 MB of memory in use. ENERGY: 4715200 734.5496 2134.4579 1947.7021 122.8230 -206478.6456 17883.6349 0.0000 0.0000 34061.5303 -149593.9478 297.4678 -183655.4781 -149499.4447 298.4625 114.3792 149.7326 556026.1415 -2.3690 -2.2791 PRESSURE: 4715400 -78.2412 -4.8773 8.52448 -4.87673 -113.234 16.6201 8.52364 16.6208 -218.9 GPRESSURE: 4715400 -122.248 3.43446 -12.4902 15.7589 -53.6201 40.1455 17.4342 18.2826 -136.925 PRESSAVG: 4715400 27.3979 3.88183 48.6957 3.88174 10.0291 20.6212 48.6956 20.6211 -16.3886 GPRESSAVG: 4715400 27.3256 0.988068 49.9366 7.07852 10.8019 20.1601 47.2287 21.1297 -16.6208 TIMING: 4715400 CPU: 13997.9, 0.00292054/step Wall: 13997.9, 0.00292054/step, 0.230885 hours remaining, 209.007812 MB of memory in use. ENERGY: 4715400 780.7569 2141.0000 1923.9206 119.1147 -206450.2515 17709.9930 0.0000 0.0000 34189.1105 -149586.3559 298.5820 -183775.4663 -149493.1390 297.7796 -136.7920 -104.2642 556719.4029 7.0128 7.1689 PRESSURE: 4715600 83.7282 -21.8513 -108.767 -21.8511 74.5873 184.381 -108.767 184.382 -71.5896 GPRESSURE: 4715600 99.9836 0.263912 -98.8999 -31.0577 65.0169 161.433 -68.8776 227.88 10.6064 PRESSAVG: 4715600 84.595 -45.7648 2.87323 -45.7648 -24.4668 14.9249 2.87329 14.925 -25.284 GPRESSAVG: 4715600 84.9916 -43.3016 1.74019 -48.2516 -25.7074 13.6462 3.85715 15.2903 -24.8473 TIMING: 4715600 CPU: 13998.5, 0.00296115/step Wall: 13998.5, 0.00296115/step, 0.233931 hours remaining, 209.007812 MB of memory in use. ENERGY: 4715600 754.8203 2147.2790 1949.9884 110.0768 -206650.3103 18033.2853 0.0000 0.0000 34204.1398 -149450.7208 298.7133 -183654.8605 -149364.6093 298.6996 28.9087 58.5356 555987.9369 11.6147 11.4790 PRESSURE: 4715800 -214.806 48.9368 104.448 48.9359 -59.4447 125.362 104.45 125.363 -140.453 GPRESSURE: 4715800 -161.586 5.16647 146.074 -71.572 -47.8858 42.3483 76.2769 189.967 -92.4912 PRESSAVG: 4715800 -1.41734 -10.738 -20.6153 -10.738 3.12807 -50.7851 -20.6153 -50.7852 39.6494 GPRESSAVG: 4715800 -1.34463 -12.1549 -20.2272 -8.12334 2.72113 -48.5072 -22.2877 -50.5004 39.753 TIMING: 4715800 CPU: 13999.1, 0.00298662/step Wall: 13999.1, 0.00298662/step, 0.235777 hours remaining, 209.007812 MB of memory in use. ENERGY: 4715800 770.8903 2104.9292 1889.8392 134.3911 -205850.6052 17394.0134 0.0000 0.0000 34185.7549 -149370.7871 298.5527 -183556.5420 -149280.2136 299.0455 -138.2346 -100.6545 557147.7046 13.7867 13.7098 PRESSURE: 4716000 289.94 31.6661 -4.73411 31.666 207.228 48.3093 -4.73385 48.3088 158.799 GPRESSURE: 4716000 299.607 16.5403 -90.4137 -15.502 230.891 -68.5022 71.7628 86.1389 244.538 PRESSAVG: 4716000 5.71648 6.98286 -13.7369 6.98296 -87.6843 -33.3395 -13.7369 -33.3395 55.1693 GPRESSAVG: 4716000 5.39117 9.95918 -13.0738 2.08014 -87.0141 -35.5954 -13.4039 -33.171 54.5975 TIMING: 4716000 CPU: 13999.7, 0.00296023/step Wall: 13999.7, 0.00296023/step, 0.233529 hours remaining, 209.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4716000 752.2252 2073.3120 1940.4222 108.5053 -206277.0759 18054.1265 0.0000 0.0000 34090.9386 -149257.5461 297.7246 -183348.4846 -149164.7012 298.5185 218.6558 258.3452 555103.5175 -8.9328 -9.0085 PRESSURE: 4716200 197.613 113.637 -8.07276 113.636 -69.6634 83.5489 -8.07235 83.5475 58.7748 GPRESSURE: 4716200 161.721 46.6729 -81.1489 146.836 -13.0913 109.378 95.8307 101.876 154.153 PRESSAVG: 4716200 -8.88315 15.2877 -9.3432 15.2877 34.2608 -20.2047 -9.34331 -20.2046 -8.80715 GPRESSAVG: 4716200 -8.0688 11.4752 -10.9574 18.3248 33.7557 -19.5947 -8.24289 -21.9407 -9.00638 TIMING: 4716200 CPU: 14000.3, 0.00294351/step Wall: 14000.3, 0.00294351/step, 0.232047 hours remaining, 209.007812 MB of memory in use. ENERGY: 4716200 741.5482 2127.5224 1912.9100 114.4379 -206118.5432 17763.2339 0.0000 0.0000 34220.4491 -149238.4417 298.8557 -183458.8908 -149144.8754 299.0710 62.2414 100.9277 556585.7924 5.5235 5.5602 LDB: ============= START OF LOAD BALANCING ============== 14003.9 LDB: ============== END OF LOAD BALANCING =============== 14003.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14003.9 LDB: ============= START OF LOAD BALANCING ============== 14004.1 LDB: Largest compute 4801 load 0.022091 is 18.7% of average load 0.118357 LDB: Average compute 0.001732 is 1.5% of average load 0.118357 LDB: TIME 14004.1 LOAD: AVG 0.118357 MAX 0.195915 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.551 MB LDB: TIME 14004.1 LOAD: AVG 0.118357 MAX 0.195915 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: TIME 14004.1 LOAD: AVG 0.118357 MAX 0.195915 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.758 MB LDB: ============== END OF LOAD BALANCING =============== 14004.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14004.2 PRESSURE: 4716400 -186.614 -30.139 -47.7066 -30.1384 -122.175 -85.7255 -47.7072 -85.7249 -19.7531 GPRESSURE: 4716400 -166.773 -85.1327 -35.9595 -6.37621 -33.1696 -54.0468 -5.54091 -102.753 -28.4759 PRESSAVG: 4716400 11.7877 -11.9373 -32.7943 -11.9372 -5.47991 61.1146 -32.7941 61.1147 5.83758 GPRESSAVG: 4716400 11.1869 -11.2755 -33.0224 -10.5671 -5.66263 60.4859 -30.4539 61.1694 6.25087 TIMING: 4716400 CPU: 14000.9, 0.00299607/step Wall: 14000.9, 0.00299607/step, 0.236024 hours remaining, 207.835938 MB of memory in use. ENERGY: 4716400 785.6925 2070.4693 1949.8803 115.2059 -206207.0667 17747.1560 0.0000 0.0000 34266.6581 -149272.0046 299.2592 -183538.6627 -149173.3746 298.7818 -109.5141 -76.1395 558240.3709 4.0484 3.9250 PRESSURE: 4716600 -493.804 182.283 100.34 182.283 58.286 42.0053 100.341 42.0052 -30.4619 GPRESSURE: 4716600 -429.906 156.387 155.379 123.29 83.5359 57.3709 72.9149 30.0641 -18.0122 PRESSAVG: 4716600 -61.4014 18.3322 -35.446 18.3323 48.3687 18.9166 -35.4462 18.9165 2.68361 GPRESSAVG: 4716600 -62.6679 17.8511 -33.2099 17.5697 49.3295 19.5461 -39.8859 20.4056 3.59953 TIMING: 4716600 CPU: 14001.5, 0.00293071/step Wall: 14001.5, 0.00293071/step, 0.230712 hours remaining, 207.835938 MB of memory in use. ENERGY: 4716600 733.5665 2124.0767 1906.2482 111.4795 -205953.7501 17448.3107 0.0000 0.0000 34421.6713 -149208.3972 300.6130 -183630.0685 -149112.3933 299.3220 -155.3267 -121.4606 557263.4150 -3.4497 -3.2463 PRESSURE: 4716800 -66.387 33.1984 95.2133 33.1991 113.984 -81.8186 95.214 -81.8183 -20.6442 GPRESSURE: 4716800 -69.5163 109.406 61.8274 -36.2555 159.73 -8.4023 153.346 -117.505 39.0338 PRESSAVG: 4716800 17.9434 9.81469 23.1528 9.81474 22.9793 -0.716095 23.1527 -0.716182 -66.8429 GPRESSAVG: 4716800 18.1854 10.784 22.3802 8.85497 22.998 0.182888 24.0382 -1.83991 -67.4298 TIMING: 4716800 CPU: 14002.1, 0.00294547/step Wall: 14002.1, 0.00294547/step, 0.231711 hours remaining, 207.835938 MB of memory in use. ENERGY: 4716800 729.3190 2083.7446 1946.0050 114.8213 -206345.1329 18019.8673 0.0000 0.0000 34229.5706 -149221.8050 298.9354 -183451.3757 -149118.5605 298.9592 8.9844 43.0825 557532.4189 -8.6401 -8.7488 PRESSURE: 4717000 -18.0412 -38.1989 -85.2595 -38.1983 -318.051 37.3856 -85.2582 37.3871 268.175 GPRESSURE: 4717000 -15.2392 -52.3584 -45.9778 -15.5188 -212.664 86.9091 -68.4801 -11.1257 249.575 PRESSAVG: 4717000 45.1718 -15.0922 -33.4896 -15.0922 -93.4093 19.1177 -33.4895 19.1177 41.5556 GPRESSAVG: 4717000 46.6267 -15.0306 -32.3725 -15.3135 -94.6471 17.8331 -32.6178 20.2123 40.6121 TIMING: 4717000 CPU: 14002.7, 0.00292365/step Wall: 14002.7, 0.00292365/step, 0.229831 hours remaining, 207.835938 MB of memory in use. ENERGY: 4717000 733.7348 2115.7228 1903.6349 124.2608 -206023.3726 17714.5168 0.0000 0.0000 34230.8089 -149200.6936 298.9462 -183431.5025 -149099.1907 299.7147 -22.6392 7.2240 557898.5978 -2.2273 -2.4694 PRESSURE: 4717200 335.214 -47.9961 -98.9021 -47.995 -50.9472 -184.255 -98.9015 -184.252 164.953 GPRESSURE: 4717200 316.248 -162.231 -85.7791 21.8945 -46.4174 -166.359 -75.8621 -281.672 271.568 PRESSAVG: 4717200 -47.5498 13.6263 13.1838 13.6264 -44.1525 -32.1461 13.1838 -32.1461 107.918 GPRESSAVG: 4717200 -49.8355 12.3928 12.4432 15.3872 -43.2905 -31.1883 11.1733 -34.4546 108.919 TIMING: 4717200 CPU: 14003.3, 0.00293344/step Wall: 14003.3, 0.00293344/step, 0.230438 hours remaining, 207.835938 MB of memory in use. ENERGY: 4717200 739.1139 2086.2371 1896.5574 115.6780 -205959.6450 17845.6928 0.0000 0.0000 34177.5319 -149098.8340 298.4809 -183276.3660 -149004.5211 298.9723 149.7400 180.4665 556804.3042 5.4052 5.2643 PRESSURE: 4717400 -63.7779 -112.036 -115.471 -112.037 -56.3196 178.803 -115.47 178.804 94.4766 GPRESSURE: 4717400 -59.1413 -127.583 -79.636 -103.149 14.1337 170.016 -148.344 137.019 109.925 PRESSAVG: 4717400 -1.16611 28.9887 -44.9381 28.9886 -8.23064 -43.0024 -44.9381 -43.0022 2.33493 GPRESSAVG: 4717400 -1.21997 29.1065 -46.1096 28.7079 -8.5338 -43.2785 -42.8065 -43.2365 2.49456 TIMING: 4717400 CPU: 14003.8, 0.00294451/step Wall: 14003.8, 0.00294451/step, 0.231144 hours remaining, 207.835938 MB of memory in use. ENERGY: 4717400 737.9881 2108.7940 1909.9202 113.6316 -206127.2996 17871.0430 0.0000 0.0000 34388.9650 -148996.9577 300.3274 -183385.9227 -148906.0656 300.6525 -8.5403 21.6391 558225.1195 -2.3539 -2.4197 PRESSURE: 4717600 126.167 54.2823 29.9217 54.2811 -122.672 143.194 29.923 143.192 120.211 GPRESSURE: 4717600 183.683 100.27 79.8886 -3.00468 -118.303 193.588 21.1586 159.536 142.343 PRESSAVG: 4717600 13.2768 1.04231 -68.3776 1.04229 -14.8436 15.6085 -68.3775 15.6085 41.1565 GPRESSAVG: 4717600 14.0432 1.13898 -65.5435 0.955988 -15.6466 16.6524 -68.6743 17.0815 40.821 TIMING: 4717600 CPU: 14004.4, 0.00291263/step Wall: 14004.4, 0.00291263/step, 0.22848 hours remaining, 207.835938 MB of memory in use. ENERGY: 4717600 748.7082 2041.8471 1946.9669 110.2585 -206168.4440 17968.1274 0.0000 0.0000 34310.0396 -149042.4962 299.6381 -183352.5358 -148951.3855 300.8935 41.2354 69.2410 558331.0044 13.1966 13.0725 PRESSURE: 4717800 -135.671 57.885 -22.0271 57.8856 -314.531 92.293 -22.0274 92.2923 -286.022 GPRESSURE: 4717800 -99.9652 -9.48819 -47.1436 67.5011 -281.068 116.038 -29.8071 33.8267 -257.252 PRESSAVG: 4717800 -23.1224 43.2686 -49.2318 43.2687 -61.7099 -45.3097 -49.2317 -45.3096 60.5694 GPRESSAVG: 4717800 -23.1752 43.3976 -50.5297 43.1159 -61.2274 -46.0292 -51.2466 -45.3131 60.2649 TIMING: 4717800 CPU: 14005, 0.00292127/step Wall: 14005, 0.00292127/step, 0.228995 hours remaining, 207.835938 MB of memory in use. ENERGY: 4717800 746.2630 2054.9248 1929.3595 112.6630 -205574.3070 17485.1436 0.0000 0.0000 34236.7741 -149009.1791 298.9983 -183245.9532 -148908.5419 299.7970 -245.4084 -212.7617 560485.3645 -8.0876 -8.0459 PRESSURE: 4718000 -92.9418 -91.239 -23.2046 -91.2384 -4.52689 129.447 -23.2045 129.446 -40.2312 GPRESSURE: 4718000 -3.96755 -99.3833 33.3506 -109.009 19.4071 114.15 18.4635 176.567 -51.5794 PRESSAVG: 4718000 -21.9051 -39.5834 -71.4715 -39.5835 12.1561 -17.5354 -71.4714 -17.5353 -27.9716 GPRESSAVG: 4718000 -21.8589 -39.7427 -70.7024 -43.4356 10.6814 -17.0692 -69.8 -16.7433 -26.3426 TIMING: 4718000 CPU: 14005.6, 0.00294137/step Wall: 14005.6, 0.00294137/step, 0.230408 hours remaining, 207.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4718000 739.5089 2105.0866 1888.5298 106.6528 -205961.9403 17765.1635 0.0000 0.0000 34295.0438 -149061.9549 299.5071 -183356.9987 -148959.4770 299.7004 -45.9000 -12.0466 557077.2855 -12.5736 -12.5067 PRESSURE: 4718200 268.743 109.917 24.9368 109.917 61.8314 166.81 24.9366 166.809 78.5839 GPRESSURE: 4718200 208.398 144.617 11.7714 75.1589 141.476 286.216 105.781 140.549 146.953 PRESSAVG: 4718200 -45.8796 10.8933 -39.694 10.8932 -10.231 23.1267 -39.694 23.1267 49.7953 GPRESSAVG: 4718200 -46.5506 8.85257 -39.945 13.7573 -9.05497 22.0479 -39.7966 23.071 48.858 TIMING: 4718200 CPU: 14006.2, 0.00294633/step Wall: 14006.2, 0.00294633/step, 0.230632 hours remaining, 207.835938 MB of memory in use. ENERGY: 4718200 736.6787 2078.0481 1934.5636 98.9749 -206304.0956 18126.3620 0.0000 0.0000 34251.9534 -149077.5150 299.1308 -183329.4684 -148982.8190 299.5857 136.3861 165.6090 558284.4309 -2.1051 -2.2492 PRESSURE: 4718400 -96.4028 -40.3538 -154.135 -40.3532 -221.281 13.7239 -154.136 13.723 -100.756 GPRESSURE: 4718400 -68.8963 -19.7387 -230.67 -25.3414 -189.95 -32.8344 -126.567 41.4917 -68.8995 PRESSAVG: 4718400 28.9692 -9.20736 -31.3158 -9.20733 -24.0796 3.12819 -31.3158 3.12821 9.09007 GPRESSAVG: 4718400 29.2192 -5.95067 -31.6852 -10.4109 -23.8701 4.81403 -29.767 1.64164 8.98849 TIMING: 4718400 CPU: 14006.8, 0.00294583/step Wall: 14006.8, 0.00294583/step, 0.230429 hours remaining, 207.835938 MB of memory in use. ENERGY: 4718400 748.5444 2083.2883 1881.8549 111.2548 -205718.2995 17675.0145 0.0000 0.0000 34065.4995 -149152.8432 297.5025 -183218.3427 -149059.2523 299.7198 -139.4798 -109.2485 559099.2267 4.6599 4.7792 PRESSURE: 4718600 -30.6673 9.68477 20.9521 9.6842 191.42 32.6762 20.9524 32.6755 -39.0415 GPRESSURE: 4718600 40.3777 -20.3093 -5.96526 75.7781 182.651 103.573 29.5657 32.5231 8.64587 PRESSAVG: 4718600 17.1893 56.2879 -26.6986 56.2879 -19.55 -3.99278 -26.6985 -3.99271 -7.88106 GPRESSAVG: 4718600 18.4859 54.8959 -28.2162 56.8369 -20.5316 -5.16589 -25.0208 -2.89934 -7.82125 TIMING: 4718600 CPU: 14007.4, 0.00293133/step Wall: 14007.4, 0.00293133/step, 0.229132 hours remaining, 207.835938 MB of memory in use. ENERGY: 4718600 744.0048 2098.4294 1891.2599 113.3353 -206330.4774 17946.2727 0.0000 0.0000 34501.4004 -149035.7750 301.3093 -183537.1753 -148942.8899 299.0908 40.5705 77.2249 559305.3629 -3.4139 -3.2890 PRESSURE: 4718800 -50.8324 45.1757 164.117 45.1763 -77.9819 70.9156 164.117 70.9167 -169.401 GPRESSURE: 4718800 -29.1469 75.553 186.702 31.6716 -43.8829 68.1074 218.724 68.59 -138.952 PRESSAVG: 4718800 -22.0716 45.0563 26.2158 45.0564 6.14212 -21.8013 26.2158 -21.8014 -55.7448 GPRESSAVG: 4718800 -23.0178 45.3384 25.3576 45.4932 6.39906 -23.1148 24.4858 -20.7792 -55.3569 TIMING: 4718800 CPU: 14007.9, 0.00292837/step Wall: 14007.9, 0.00292837/step, 0.228738 hours remaining, 207.835938 MB of memory in use. ENERGY: 4718800 724.4460 2150.7776 1907.1464 119.6165 -206025.1161 17748.4099 0.0000 0.0000 34271.2728 -149103.4468 299.2995 -183374.7197 -149009.9693 299.9006 -99.4049 -70.6605 559552.2190 -23.8914 -23.9919 PRESSURE: 4719000 286.372 36.404 -205.93 36.4038 -62.9308 -36.029 -205.93 -36.0307 120.162 GPRESSURE: 4719000 282.363 48.956 -220.916 60.5775 -66.5342 -9.38988 -232.009 -64.1213 208.04 PRESSAVG: 4719000 31.194 -27.6279 8.31059 -27.6279 -2.6073 17.2478 8.31065 17.2477 -8.01481 GPRESSAVG: 4719000 31.0498 -28.94 8.50491 -27.6623 -2.56231 18.1222 9.16146 16.822 -7.7956 TIMING: 4719000 CPU: 14008.5, 0.00294387/step Wall: 14008.5, 0.00294387/step, 0.229785 hours remaining, 207.835938 MB of memory in use. ENERGY: 4719000 755.3144 2114.0746 1925.4728 105.6825 -206338.4222 18220.6749 0.0000 0.0000 34054.7078 -149162.4951 297.4082 -183217.2029 -149067.0644 299.2985 114.5345 141.2897 557731.5348 6.8573 6.8973 PRESSURE: 4719200 61.7527 -80.383 -12.0475 -80.3815 -253.172 -122.447 -12.0482 -122.447 3.11546 GPRESSURE: 4719200 92.1589 -100.247 -17.8173 -44.7904 -165.795 -34.8201 -51.9918 -152.519 -13.1977 PRESSAVG: 4719200 7.44902 -13.0385 -54.6785 -13.0385 -7.23348 -4.50384 -54.6785 -4.50372 17.21 GPRESSAVG: 4719200 6.78543 -12.7958 -53.7984 -11.2318 -6.6535 -4.66808 -55.4028 -3.24937 17.1387 TIMING: 4719200 CPU: 14009.1, 0.00293676/step Wall: 14009.1, 0.00293677/step, 0.229068 hours remaining, 207.835938 MB of memory in use. ENERGY: 4719200 754.1615 2093.5630 1910.5545 116.1269 -206088.7934 17779.6249 0.0000 0.0000 34246.8183 -149187.9444 299.0860 -183434.7627 -149090.6674 299.1845 -62.7679 -28.9448 558522.9269 5.8085 5.7569 PRESSURE: 4719400 -68.7227 -70.8433 70.1574 -70.8429 287.681 91.7477 70.1579 91.7465 -29.3536 GPRESSURE: 4719400 23.9736 -100.286 90.0613 19.1994 217.996 1.57887 -14.7052 132.713 40.4988 PRESSAVG: 4719400 -10.8878 -30.2462 -4.61448 -30.2462 12.9492 0.547817 -4.61446 0.547764 -22.4682 GPRESSAVG: 4719400 -10.5666 -30.3425 -4.94249 -32.8776 12.9026 2.2426 -4.63263 -1.80056 -22.9131 TIMING: 4719400 CPU: 14009.7, 0.00294302/step Wall: 14009.7, 0.00294302/step, 0.229392 hours remaining, 207.835938 MB of memory in use. ENERGY: 4719400 775.8831 2075.0526 1906.8532 113.0710 -206088.2007 17973.4825 0.0000 0.0000 34277.6762 -148966.1821 299.3555 -183243.8583 -148863.7570 299.5609 63.2014 94.1561 558081.7900 -6.8023 -6.8590 PRESSURE: 4719600 62.8773 -63.8114 77.3202 -63.8109 -76.1033 32.8966 77.319 32.8977 18.8104 GPRESSURE: 4719600 48.4861 -7.30496 20.2698 2.8706 -49.5131 59.1364 85.387 -13.7658 103.129 PRESSAVG: 4719600 29.7197 -24.685 -66.3609 -24.6848 -35.4486 34.9762 -66.3609 34.9762 3.64856 GPRESSAVG: 4719600 30.3288 -23.5072 -66.816 -23.4642 -35.8232 33.1913 -66.8775 36.2529 3.24377 TIMING: 4719600 CPU: 14010.3, 0.00292328/step Wall: 14010.3, 0.00292328/step, 0.227691 hours remaining, 207.835938 MB of memory in use. ENERGY: 4719600 762.5808 2134.2277 1917.3081 117.2123 -206552.8463 17942.9112 0.0000 0.0000 34600.9722 -149077.6339 302.1789 -183678.6061 -148984.8755 298.9851 1.8614 34.0342 557555.7884 -0.6935 -0.7502 PRESSURE: 4719800 -195.967 -172.032 32.3701 -172.032 -132.278 135.707 32.3715 135.709 -297.785 GPRESSURE: 4719800 -97.4271 -232.8 115.607 -150.915 -142.559 211.567 83.5716 125.931 -281.803 PRESSAVG: 4719800 79.8171 -62.1915 32.278 -62.1914 -25.4675 46.6401 32.2781 46.6401 -7.20093 GPRESSAVG: 4719800 79.7334 -63.0784 32.1586 -60.9325 -24.774 47.4265 31.9462 47.4292 -8.22686 TIMING: 4719800 CPU: 14010.9, 0.00294243/step Wall: 14010.9, 0.00294243/step, 0.229019 hours remaining, 207.835938 MB of memory in use. ENERGY: 4719800 742.8332 2082.4659 1908.5173 110.6596 -205721.2341 17486.5219 0.0000 0.0000 34241.5467 -149148.6897 299.0399 -183390.2363 -149061.6678 298.9708 -208.6767 -173.9297 557653.5811 15.7162 15.5775 PRESSURE: 4720000 38.4818 -138.179 -1.54893 -138.179 74.1354 206.654 -1.5491 206.652 -135.691 GPRESSURE: 4720000 41.0454 -60.7927 7.16712 -132.555 127.704 245.077 -18.5973 164.569 -99.7272 PRESSAVG: 4720000 92.3392 -37.1123 39.5485 -37.1124 -80.8638 11.0353 39.5485 11.0353 45.7221 GPRESSAVG: 4720000 91.0495 -36.2302 40.9684 -39.5188 -82.4629 10.7517 41.1787 9.44275 47.5707 TIMING: 4720000 CPU: 14011.5, 0.00294721/step Wall: 14011.5, 0.00294721/step, 0.229227 hours remaining, 207.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4720000 748.9444 2073.4670 1925.4819 109.8608 -206253.7743 17871.2755 0.0000 0.0000 34321.1942 -149203.5504 299.7355 -183524.7446 -149109.3664 299.8971 -7.6912 23.0074 558017.0604 19.0658 18.7191 PRESSURE: 4720200 75.0938 -66.004 -48.1008 -66.0029 305.812 159.992 -48.1 159.991 -91.2611 GPRESSURE: 4720200 128.762 -138.505 39.0951 -18.5758 307.196 154.355 -60.2111 121.92 -52.423 PRESSAVG: 4720200 36.6236 -6.453 -23.2266 -6.45301 21.1498 15.8055 -23.2266 15.8055 -43.733 GPRESSAVG: 4720200 36.017 -7.1574 -22.2627 -6.89204 22.2574 14.5664 -23.7315 16.5768 -44.2506 TIMING: 4720200 CPU: 14012.1, 0.0029524/step Wall: 14012.1, 0.0029524/step, 0.229467 hours remaining, 207.835938 MB of memory in use. ENERGY: 4720200 755.8744 2096.1178 1940.0784 127.4712 -206456.0654 18002.7289 0.0000 0.0000 34410.2020 -149123.5926 300.5129 -183533.7946 -149024.3494 300.3457 96.5483 127.8449 557157.9485 4.6801 4.6746 LDB: ============= START OF LOAD BALANCING ============== 14015.6 LDB: ============== END OF LOAD BALANCING =============== 14015.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14015.6 LDB: ============= START OF LOAD BALANCING ============== 14015.9 LDB: Largest compute 4801 load 0.021306 is 18.0% of average load 0.118296 LDB: Average compute 0.001736 is 1.5% of average load 0.118296 LDB: TIME 14015.9 LOAD: AVG 0.118296 MAX 0.198749 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.836 MB LDB: TIME 14015.9 LOAD: AVG 0.118296 MAX 0.198749 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: TIME 14015.9 LOAD: AVG 0.118296 MAX 0.198749 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: ============== END OF LOAD BALANCING =============== 14015.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14015.9 PRESSURE: 4720400 -205.755 9.90317 -94.9134 9.903 -14.0868 -49.1885 -94.9139 -49.1892 -39.2173 GPRESSURE: 4720400 -181.895 -48.3657 -118.433 48.4604 7.75799 -56.2954 -97.845 -85.5008 14.8452 PRESSAVG: 4720400 -22.8618 -7.18689 56.2805 -7.18693 12.2445 -4.76571 56.2805 -4.76588 13.9179 GPRESSAVG: 4720400 -22.5442 -7.2924 54.0808 -4.48793 11.3853 -3.8308 55.0474 -5.30412 14.2511 TIMING: 4720400 CPU: 14012.7, 0.00303306/step Wall: 14012.7, 0.00303306/step, 0.235568 hours remaining, 210.207031 MB of memory in use. ENERGY: 4720400 768.0334 2115.6375 1926.9388 106.4277 -206274.9026 17723.7855 0.0000 0.0000 34378.7897 -149255.2900 300.2385 -183634.0797 -149157.9244 299.8512 -86.3532 -53.0971 556572.0938 1.1002 1.0307 PRESSURE: 4720600 -132.966 -53.6535 88.7544 -53.6542 50.512 32.1926 88.7538 32.1926 -106.847 GPRESSURE: 4720600 -109.374 -137.469 183.101 24.0073 99.9808 -5.4027 43.3257 23.9761 -71.1576 PRESSAVG: 4720600 -8.89379 -20.0191 15.9262 -20.0191 4.79888 -0.548083 15.9262 -0.54797 -11.5389 GPRESSAVG: 4720600 -7.89173 -20.9147 17.3762 -22.3051 4.70232 -0.631447 15.4484 -2.25717 -11.8084 TIMING: 4720600 CPU: 14013.3, 0.00297458/step Wall: 14013.3, 0.00297458/step, 0.23086 hours remaining, 210.277344 MB of memory in use. ENERGY: 4720600 748.6437 2110.4199 1934.8038 114.8627 -206375.2472 17745.3174 0.0000 0.0000 34373.0462 -149348.1535 300.1884 -183721.1997 -149257.1427 299.4398 -63.1001 -26.8504 557734.4491 -5.2113 -4.9993 PRESSURE: 4720800 -20.4772 109.18 -17.5386 109.183 7.44419 -47.3139 -17.537 -47.3141 -185.097 GPRESSURE: 4720800 -11.2108 176.963 -5.07578 26.4483 94.4217 -36.696 37.0774 -30.3437 -191.902 PRESSAVG: 4720800 38.1739 18.1815 31.4298 18.1816 14.7934 -1.95744 31.4298 -1.9573 -56.6929 GPRESSAVG: 4720800 37.0594 19.3773 32.0837 19.6143 16.156 -1.5555 32.8133 -0.28228 -57.2809 TIMING: 4720800 CPU: 14013.9, 0.00295054/step Wall: 14013.9, 0.00295054/step, 0.228831 hours remaining, 210.277344 MB of memory in use. ENERGY: 4720800 747.1348 2096.6247 1926.7144 112.4075 -206344.4888 17867.9362 0.0000 0.0000 34273.9322 -149319.7391 299.3228 -183593.6713 -149223.1412 299.4615 -66.0433 -36.2303 559246.1721 -1.2419 -1.3552 PRESSURE: 4721000 -184.484 -39.7298 122.12 -39.7301 -113.701 -88.3213 122.12 -88.3212 -205.031 GPRESSURE: 4721000 -125.363 -31.3279 72.8402 -59.2955 -105.467 -135.162 127.608 -57.2272 -181.12 PRESSAVG: 4721000 -6.83111 49.8464 16.7732 49.8464 20.4033 14.3468 16.7733 14.3467 30.8213 GPRESSAVG: 4721000 -6.1087 50.0966 13.5024 50.38 19.0184 13.4647 18.0752 14.7274 30.966 TIMING: 4721000 CPU: 14014.4, 0.00294408/step Wall: 14014.4, 0.00294408/step, 0.228166 hours remaining, 210.277344 MB of memory in use. ENERGY: 4721000 771.3261 2070.4743 1920.7950 120.2156 -205832.6953 17575.0776 0.0000 0.0000 34013.4883 -149361.3184 297.0483 -183374.8068 -149266.8356 299.0083 -167.7386 -137.3168 557906.6111 14.7978 14.6252 PRESSURE: 4721200 -103.301 43.4217 19.7684 43.4205 -59.9104 -62.2624 19.7682 -62.2616 141.103 GPRESSURE: 4721200 -107.769 137.436 7.06679 49.4233 -39.5556 -16.1167 84.7761 -86.303 235.011 PRESSAVG: 4721200 -32.3723 2.56208 30.0063 2.5621 55.1001 -76.5924 30.0064 -76.5923 8.41834 GPRESSAVG: 4721200 -32.8189 4.24759 31.361 2.42697 55.1731 -75.1526 28.4457 -77.6722 8.62114 TIMING: 4721200 CPU: 14015, 0.00294201/step Wall: 14015, 0.00294201/step, 0.227842 hours remaining, 210.277344 MB of memory in use. ENERGY: 4721200 733.4782 2116.3878 1905.2830 99.6729 -205966.9887 17756.7165 0.0000 0.0000 34169.6620 -149185.7882 298.4122 -183355.4502 -149087.8886 298.6728 -7.3695 29.2287 556868.8485 10.3821 10.3251 PRESSURE: 4721400 48.1914 -44.1034 -43.8708 -44.1042 -74.6891 32.7087 -43.8704 32.7064 70.9053 GPRESSURE: 4721400 78.6804 -100.474 13.7172 22.808 -51.0243 -46.2469 -98.0232 130.27 106.301 PRESSAVG: 4721400 23.7628 69.5074 -5.27822 69.5074 3.92678 14.8013 -5.27828 14.8013 -29.4508 GPRESSAVG: 4721400 24.4903 65.4443 -3.6993 71.1885 4.10268 13.5409 -6.4143 15.1545 -30.8987 TIMING: 4721400 CPU: 14015.6, 0.00293094/step Wall: 14015.6, 0.00293094/step, 0.226822 hours remaining, 210.277344 MB of memory in use. ENERGY: 4721400 785.9531 2093.9532 1911.8512 127.0828 -206229.4042 18010.3615 0.0000 0.0000 34085.1588 -149215.0436 297.6742 -183300.2024 -149118.8381 298.9763 14.8025 44.6525 558153.7473 -0.5871 -0.7686 PRESSURE: 4721600 -33.0631 -112.784 -63.764 -112.785 -37.3013 107.019 -63.7634 107.021 -109.289 GPRESSURE: 4721600 22.9381 -83.4015 -99.5538 -50.7348 11.0286 81.5847 8.28196 136.58 -101.722 PRESSAVG: 4721600 67.0791 0.105394 28.005 0.105417 -55.3131 7.94066 28.005 7.94071 -25.3304 GPRESSAVG: 4721600 67.4845 3.58895 28.1975 -1.54866 -55.5697 8.01543 29.6042 9.31458 -25.074 TIMING: 4721600 CPU: 14016.2, 0.00292595/step Wall: 14016.2, 0.00292595/step, 0.226273 hours remaining, 210.277344 MB of memory in use. ENERGY: 4721600 702.9917 2096.4686 1885.7343 113.1301 -206210.0602 17740.1579 0.0000 0.0000 34259.6811 -149411.8964 299.1983 -183671.5776 -149311.6567 298.3834 -59.8845 -22.5852 556487.8397 -4.5215 -4.3864 PRESSURE: 4721800 145.591 16.4458 109.103 16.4467 79.0777 138.218 109.103 138.219 108.768 GPRESSURE: 4721800 177.118 118.156 79.914 62.3291 87.5514 108.215 37.9545 167.974 178.079 PRESSAVG: 4721800 1.53741 -34.4243 -27.7139 -34.4244 36.3087 46.4015 -27.7139 46.4015 16.681 GPRESSAVG: 4721800 1.69378 -34.5026 -28.1384 -35.0747 36.6195 47.3546 -27.2761 45.319 16.7262 TIMING: 4721800 CPU: 14016.8, 0.00294149/step Wall: 14016.8, 0.00294149/step, 0.227312 hours remaining, 210.277344 MB of memory in use. ENERGY: 4721800 727.2891 2139.2959 1946.4886 107.7458 -206694.1006 18014.6713 0.0000 0.0000 34431.1564 -149327.4536 300.6959 -183758.6100 -149235.6450 299.1090 111.1455 147.5829 556427.0368 18.1757 18.3465 PRESSURE: 4722000 -90.3322 25.3889 77.8102 25.3905 147.292 229.238 77.8105 229.237 -227.251 GPRESSURE: 4722000 -77.895 16.0522 140.741 -8.05623 197.444 157.484 19.8695 178.869 -185.169 PRESSAVG: 4722000 -51.3049 -33.8966 25.8872 -33.8967 63.5544 69.2885 25.8873 69.2885 -7.16164 GPRESSAVG: 4722000 -51.1439 -35.0589 24.6502 -32.5397 62.526 68.4162 25.4348 69.6169 -6.24958 TIMING: 4722000 CPU: 14017.4, 0.00294276/step Wall: 14017.4, 0.00294276/step, 0.227247 hours remaining, 210.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4722000 746.4597 2090.4648 1923.5671 110.5634 -206322.5463 17897.7246 0.0000 0.0000 34284.7110 -149269.0557 299.4169 -183553.7667 -149173.6486 299.5816 -56.7638 -21.8732 558225.2010 1.6959 1.7108 PRESSURE: 4722200 54.3709 -203.695 -35.384 -203.695 97.8365 110.907 -35.3841 110.907 117.199 GPRESSURE: 4722200 140.117 -232.341 -73.9954 -153.28 89.0598 57.5744 69.9333 109.065 149.638 PRESSAVG: 4722200 -8.20445 2.21018 -19.0338 2.21025 -58.3201 29.55 -19.0338 29.55 15.5069 GPRESSAVG: 4722200 -7.9174 4.43108 -17.7379 -1.47268 -58.5645 29.3459 -18.4434 30.8524 15.4251 TIMING: 4722200 CPU: 14018, 0.0029482/step Wall: 14018, 0.00294819/step, 0.227502 hours remaining, 210.277344 MB of memory in use. ENERGY: 4722200 743.5708 2122.6506 1915.8169 100.0131 -206324.0757 18074.0024 0.0000 0.0000 34178.4511 -149189.5708 298.4889 -183368.0219 -149097.8510 299.4393 89.8021 126.2718 556930.1218 -17.0059 -17.0189 PRESSURE: 4722400 -417.397 -65.3003 -38.4353 -65.3001 -138.206 -80.2428 -38.4359 -80.2445 -12.4947 GPRESSURE: 4722400 -382.66 -21.3506 -27.8664 -10.869 -92.3292 -102.835 -78.7033 -75.8364 -1.78108 PRESSAVG: 4722400 -57.6174 -54.7968 6.63133 -54.7968 58.9017 -9.83405 6.63136 -9.83406 5.12865 GPRESSAVG: 4722400 -57.3791 -57.2219 5.69614 -54.2204 58.9544 -10.7041 7.46247 -9.29981 4.87398 TIMING: 4722400 CPU: 14018.6, 0.00293851/step Wall: 14018.6, 0.00293851/step, 0.226592 hours remaining, 210.277344 MB of memory in use. ENERGY: 4722400 745.6404 2105.9599 1920.4886 111.2968 -206336.6655 17646.0863 0.0000 0.0000 34393.0665 -149414.1270 300.3632 -183807.1936 -149319.1274 299.3910 -189.3658 -158.9233 558051.0256 2.1377 2.1498 PRESSURE: 4722600 168.485 67.231 74.3574 67.2314 122.71 7.04189 74.3566 7.04053 -138.757 GPRESSURE: 4722600 181.624 128.098 105.886 130.169 167.598 21.4559 28.118 80.9342 -106.444 PRESSAVG: 4722600 43.1665 -63.1541 8.0436 -63.1541 39.3207 11.001 8.04359 11.0011 -63.5292 GPRESSAVG: 4722600 42.3425 -61.8293 10.7162 -62.6599 39.3341 10.3602 5.22254 9.56531 -62.8385 TIMING: 4722600 CPU: 14019.1, 0.0029321/step Wall: 14019.1, 0.0029321/step, 0.225934 hours remaining, 210.277344 MB of memory in use. ENERGY: 4722600 714.8964 2151.0166 1901.2259 113.8123 -206406.8486 17991.4532 0.0000 0.0000 34016.1607 -149518.2835 297.0716 -183534.4441 -149423.8839 298.6018 50.8130 80.9259 556823.8471 6.3194 6.2793 PRESSURE: 4722800 141.531 224.665 -80.6453 224.664 122.597 206.802 -80.6449 206.799 -94.2102 GPRESSURE: 4722800 153.252 248.097 -5.72952 212.831 223.498 148.708 -69.4824 162.991 -102.078 PRESSAVG: 4722800 -14.999 4.75 12.4034 4.75006 48.7255 58.1927 12.4034 58.1928 13.3309 GPRESSAVG: 4722800 -13.9357 5.36572 9.789 6.54877 47.88 58.657 16.5123 59.3934 13.2514 TIMING: 4722800 CPU: 14019.7, 0.0029602/step Wall: 14019.7, 0.0029602/step, 0.227936 hours remaining, 210.277344 MB of memory in use. ENERGY: 4722800 716.1072 2136.8071 1930.9265 114.7170 -206529.7167 18058.4178 0.0000 0.0000 34232.0779 -149340.6632 298.9573 -183572.7411 -149244.2049 298.3274 56.6396 91.5574 556929.6355 15.6858 15.7319 PRESSURE: 4723000 -80.814 -153.441 -113.205 -153.442 28.1364 -147.013 -113.205 -147.013 46.372 GPRESSURE: 4723000 -55.4837 -150.025 -76.6911 -183.603 125.265 -75.3226 -89.3161 -156.391 19.6458 PRESSAVG: 4723000 15.1909 17.9383 3.05263 17.9382 -15.0199 -2.28625 3.05251 -2.28629 16.1887 GPRESSAVG: 4723000 14.6767 17.4049 4.00058 15.8271 -14.4675 0.215646 1.75965 -4.56636 15.8858 TIMING: 4723000 CPU: 14020.3, 0.00293935/step Wall: 14020.3, 0.00293935/step, 0.226167 hours remaining, 210.277344 MB of memory in use. ENERGY: 4723000 708.8957 2122.3929 1922.9712 114.1568 -205894.0245 17673.2456 0.0000 0.0000 34129.2122 -149223.1502 298.0589 -183352.3624 -149128.9724 299.1893 -2.1019 29.8090 556946.9799 5.4532 5.3650 PRESSURE: 4723200 -143.518 67.5113 -90.759 67.5114 -115.158 51.6045 -90.758 51.606 -21.7393 GPRESSURE: 4723200 -107.93 111.355 -96.734 85.5306 -82.1793 132.736 -114.9 8.93537 2.72135 PRESSAVG: 4723200 22.7513 14.926 -23.7756 14.9261 -21.1143 25.7233 -23.7756 25.7232 -64.7753 GPRESSAVG: 4723200 23.4268 13.8351 -26.2071 16.2629 -21.5249 25.7001 -24.8058 26.3428 -64.9175 TIMING: 4723200 CPU: 14020.9, 0.00294132/step Wall: 14020.9, 0.00294132/step, 0.226155 hours remaining, 210.277344 MB of memory in use. ENERGY: 4723200 784.9780 2085.8441 1889.5867 105.7756 -206089.0508 17623.6733 0.0000 0.0000 34215.0570 -149384.1360 298.8086 -183599.1930 -149285.1088 299.0369 -93.4717 -62.4627 556732.8916 -21.0461 -21.0052 PRESSURE: 4723400 -167.08 128.604 88.7192 128.603 159.036 122.586 88.7208 122.587 -65.4015 GPRESSURE: 4723400 -127.36 212.656 105.7 32.5856 208.931 108.129 148.345 240.512 -59.8043 PRESSAVG: 4723400 46.3008 1.74718 -3.17973 1.74719 69.7449 2.41748 -3.17969 2.41749 -100.416 GPRESSAVG: 4723400 45.2626 2.68224 -0.446263 2.27967 69.9877 1.77553 -2.78837 3.66658 -99.6468 TIMING: 4723400 CPU: 14021.5, 0.00292658/step Wall: 14021.5, 0.00292658/step, 0.224859 hours remaining, 210.277344 MB of memory in use. ENERGY: 4723400 743.1438 2102.8888 1920.4223 117.2200 -206237.6921 17765.0603 0.0000 0.0000 34158.7994 -149430.1574 298.3173 -183588.9568 -149339.0191 299.4127 -24.4820 7.2556 556909.5267 5.2099 5.2012 PRESSURE: 4723600 259.421 -64.4709 -73.599 -64.4724 339.42 -20.4918 -73.5994 -20.4911 114.57 GPRESSURE: 4723600 286.28 -89.2574 -93.3141 -58.887 351.863 -3.45863 -67.7347 -56.1341 166.875 PRESSAVG: 4723600 28.3048 8.21885 -3.10584 8.21889 -6.76298 37.3248 -3.10582 37.3248 25.721 GPRESSAVG: 4723600 28.9348 10.0874 -3.54159 6.0256 -6.62559 37.9345 -4.82393 36.2351 24.543 TIMING: 4723600 CPU: 14022.1, 0.00294878/step Wall: 14022.1, 0.00294878/step, 0.226401 hours remaining, 210.277344 MB of memory in use. ENERGY: 4723600 727.7032 2079.5852 1902.2700 116.0602 -206788.8994 18262.5093 0.0000 0.0000 34338.2254 -149362.5460 299.8843 -183700.7714 -149264.2651 299.0014 237.8037 268.3392 557596.7654 15.7543 15.6174 PRESSURE: 4723800 -109.464 139.496 -112.963 139.494 -40.9949 -136.626 -112.964 -136.626 205.212 GPRESSURE: 4723800 -72.1776 138.257 -143.633 103.812 -52.7278 -101.552 -64.4369 -73.9973 264.798 PRESSAVG: 4723800 7.03956 12.3937 -26.9925 12.3937 -59.6682 27.4023 -26.9926 27.4023 39.476 GPRESSAVG: 4723800 5.54903 8.54275 -25.9806 15.1852 -59.0701 28.7586 -27.1948 26.1814 40.9896 TIMING: 4723800 CPU: 14022.7, 0.00290466/step Wall: 14022.7, 0.00290466/step, 0.222852 hours remaining, 210.277344 MB of memory in use. ENERGY: 4723800 721.6670 2083.5234 1914.3954 118.3477 -206070.3422 17768.8959 0.0000 0.0000 34276.3224 -149187.1902 299.3436 -183463.5126 -149091.6545 299.9006 18.2510 46.6309 557966.8840 -4.3842 -4.1772 PRESSURE: 4724000 -66.2274 -179.953 79.6043 -179.953 -124.34 -29.7873 79.6016 -29.7878 -240.747 GPRESSURE: 4724000 -68.9236 -214.091 48.204 -125.449 -49.648 -72.583 10.0054 -16.9816 -219.684 PRESSAVG: 4724000 -4.67293 -1.06277 -58.6947 -1.06277 7.26599 -42.845 -58.6948 -42.8449 -24.7526 GPRESSAVG: 4724000 -3.5079 0.649181 -60.0307 -3.05623 7.19835 -44.3543 -58.0514 -40.3034 -26.1606 TIMING: 4724000 CPU: 14023.3, 0.00292103/step Wall: 14023.3, 0.00292103/step, 0.223946 hours remaining, 210.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4724000 749.5793 2053.9363 1912.9546 102.2722 -205753.5557 17515.4643 0.0000 0.0000 34380.3124 -149039.0366 300.2518 -183419.3490 -148942.2445 299.8693 -143.7712 -112.7520 557262.1306 -7.3865 -7.4900 PRESSURE: 4724200 -137.178 -184.032 26.9969 -184.032 -255.163 21.725 26.9962 21.7251 -105.094 GPRESSURE: 4724200 -159.581 -147.384 -65.4325 -90.8304 -188.298 60.46 69.7021 -29.8813 -46.5666 PRESSAVG: 4724200 -7.86454 -2.28113 -68.9875 -2.28117 13.4926 -11.6442 -68.9874 -11.6442 -27.6079 GPRESSAVG: 4724200 -9.59628 -1.11417 -70.5264 -0.836317 13.3008 -10.5871 -66.2611 -13.4112 -25.3884 TIMING: 4724200 CPU: 14023.8, 0.00293865/step Wall: 14023.8, 0.00293865/step, 0.225133 hours remaining, 210.277344 MB of memory in use. ENERGY: 4724200 735.8335 2087.7666 1943.4470 102.8993 -205681.0627 17473.8906 0.0000 0.0000 34339.3262 -148997.8995 299.8939 -183337.2257 -148894.3368 300.1413 -165.8119 -131.4817 557256.4879 -7.3266 -7.2279 LDB: ============= START OF LOAD BALANCING ============== 14027.4 LDB: ============== END OF LOAD BALANCING =============== 14027.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14027.4 LDB: ============= START OF LOAD BALANCING ============== 14027.7 LDB: Largest compute 4801 load 0.020865 is 17.6% of average load 0.118246 LDB: Average compute 0.001734 is 1.5% of average load 0.118246 LDB: TIME 14027.7 LOAD: AVG 0.118246 MAX 0.196887 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.441 MB LDB: TIME 14027.7 LOAD: AVG 0.118246 MAX 0.196887 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.441 MB LDB: TIME 14027.7 LOAD: AVG 0.118246 MAX 0.196887 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.441 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14027.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14027.7 PRESSURE: 4724400 -31.5934 49.6798 23.7954 49.6794 -86.1012 -17.9109 23.7947 -17.9115 -157.749 GPRESSURE: 4724400 68.3919 68.7027 -4.29778 54.0228 -111.583 5.71298 -20.6589 -80.5817 -135.517 PRESSAVG: 4724400 73.6781 -12.7433 -32.44 -12.7434 -68.4648 41.1304 -32.4401 41.1303 10.5252 GPRESSAVG: 4724400 75.8588 -13.0822 -33.2175 -14.0724 -69.1939 38.4238 -34.4697 42.412 8.83067 TIMING: 4724400 CPU: 14024.4, 0.00299567/step Wall: 14024.4, 0.00299567/step, 0.229335 hours remaining, 210.601562 MB of memory in use. ENERGY: 4724400 733.6512 2069.3968 1907.9153 107.5877 -205978.2431 17639.7849 0.0000 0.0000 34442.3380 -149077.5690 300.7935 -183519.9070 -148978.1145 299.4520 -91.8146 -59.5692 558460.3040 5.2462 5.1652 PRESSURE: 4724600 72.5421 -79.1607 81.5328 -79.1605 -36.3881 -41.7079 81.5321 -41.7077 8.24346 GPRESSURE: 4724600 87.7739 -61.8194 107.248 -114.606 10.4187 -83.8648 -15.0939 69.3806 33.0949 PRESSAVG: 4724600 36.1112 -5.68945 1.62309 -5.6895 39.6817 6.04852 1.62311 6.04846 -15.6597 GPRESSAVG: 4724600 35.3227 -7.15493 3.96493 -7.06614 40.6042 7.92901 1.54647 5.82433 -15.7943 TIMING: 4724600 CPU: 14025, 0.00292864/step Wall: 14025, 0.00292864/step, 0.224041 hours remaining, 210.804688 MB of memory in use. ENERGY: 4724600 723.4317 2103.2963 1879.4260 107.9690 -205950.8088 17798.2507 0.0000 0.0000 34207.0566 -149131.3785 298.7387 -183338.4351 -149040.1542 299.2821 14.7991 43.7625 557192.0762 20.0444 20.0442 PRESSURE: 4724800 62.0725 22.5125 -37.6495 22.5116 -33.7836 -20.3717 -37.6488 -20.3721 -43.3412 GPRESSURE: 4724800 145.466 47.5837 -89.7688 -83.3064 -47.0667 -85.0432 -0.199413 90.366 -26.6935 PRESSAVG: 4724800 -31.6716 -34.1407 -11.3251 -34.1407 -10.1858 -25.8167 -11.3251 -25.8166 51.6565 GPRESSAVG: 4724800 -31.2232 -32.4162 -13.6646 -31.2984 -11.2763 -27.9995 -12.8322 -24.9017 52.5682 TIMING: 4724800 CPU: 14025.6, 0.00294586/step Wall: 14025.6, 0.00294586/step, 0.225195 hours remaining, 210.804688 MB of memory in use. ENERGY: 4724800 748.6416 2127.7461 1933.4114 107.9088 -205945.6888 17745.2711 0.0000 0.0000 34204.1385 -149078.5712 298.7132 -183282.7097 -148979.4330 299.7256 -5.0174 23.9021 557641.1657 3.2664 3.3562 PRESSURE: 4725000 64.97 -155.62 14.225 -155.621 -99.5001 -41.0514 14.2254 -41.0513 122.956 GPRESSURE: 4725000 67.3217 -164.439 -44.3735 -73.2168 -57.2076 -10.9161 -8.85726 -45.6373 189.351 PRESSAVG: 4725000 5.92472 -46.9162 -6.90763 -46.9162 -53.1737 -12.6183 -6.90772 -12.6183 15.051 GPRESSAVG: 4725000 5.68223 -47.8754 -8.47342 -46.9145 -52.898 -10.8128 -4.35719 -14.932 14.9866 TIMING: 4725000 CPU: 14026.2, 0.00293523/step Wall: 14026.2, 0.00293523/step, 0.224219 hours remaining, 210.804688 MB of memory in use. ENERGY: 4725000 788.4159 2063.3857 1897.8459 116.3344 -206051.5988 17973.2782 0.0000 0.0000 34166.7965 -149045.5421 298.3871 -183212.3387 -148952.5914 299.0486 29.4752 66.4884 558208.4356 -10.7326 -10.7431 PRESSURE: 4725200 92.0107 -175.735 -85.4703 -175.734 305.237 130.392 -85.4692 130.391 103.804 GPRESSURE: 4725200 110.814 -117.375 -154.705 -203.156 329.15 213.777 -108.443 224.504 154.926 PRESSAVG: 4725200 30.7072 0.0634762 6.52969 0.0635237 -28.7142 -2.78729 6.52974 -2.78715 -11.3416 GPRESSAVG: 4725200 30.1668 1.64166 8.6239 -0.776052 -29.1274 -0.9771 4.62613 -2.24879 -10.5282 TIMING: 4725200 CPU: 14026.8, 0.00295167/step Wall: 14026.8, 0.00295167/step, 0.225311 hours remaining, 210.804688 MB of memory in use. ENERGY: 4725200 741.0247 2081.2721 1928.4085 114.1644 -206237.9105 18051.7673 0.0000 0.0000 34292.0607 -149029.2128 299.4811 -183321.2735 -148932.2937 299.2879 167.0173 198.2966 557463.1363 -3.1162 -3.1629 PRESSURE: 4725400 51.5125 -69.0891 -8.02582 -69.088 -66.2528 -234.627 -8.02589 -234.628 137.515 GPRESSURE: 4725400 116.971 9.21099 26.7959 -55.8051 -49.7876 -191.095 33.4546 -277.957 158.97 PRESSAVG: 4725400 -7.65734 28.8201 -27.2334 28.82 9.37904 -10.0743 -27.2334 -10.0742 -16.6683 GPRESSAVG: 4725400 -6.75105 29.2213 -26.8912 28.0298 11.2433 -10.8393 -25.9671 -10.614 -18.7785 TIMING: 4725400 CPU: 14027.4, 0.00294232/step Wall: 14027.4, 0.00294232/step, 0.224434 hours remaining, 210.804688 MB of memory in use. ENERGY: 4725400 761.9007 2110.8333 1932.3735 112.2733 -206027.5967 17760.2553 0.0000 0.0000 34372.2082 -148977.7523 300.1810 -183349.9605 -148882.0413 300.3210 40.9249 75.3845 557228.9452 -4.9822 -4.7621 PRESSURE: 4725600 -100.597 -13.729 -126.306 -13.729 -229.526 -31.6761 -126.306 -31.6754 -326.76 GPRESSURE: 4725600 -23.6724 -33.6602 -136.705 97.1422 -192.714 -82.4447 -141.533 38.3539 -343.248 PRESSAVG: 4725600 -3.72806 9.69429 -91.1612 9.69433 -8.51137 -81.727 -91.1612 -81.7271 1.80329 GPRESSAVG: 4725600 -3.08351 8.01179 -91.1699 10.0723 -9.58747 -83.4118 -92.6211 -80.1441 2.02333 TIMING: 4725600 CPU: 14028, 0.00297432/step Wall: 14028, 0.00297432/step, 0.226709 hours remaining, 210.804688 MB of memory in use. ENERGY: 4725600 744.8760 2116.5189 1941.6562 118.8816 -205649.9092 17513.2970 0.0000 0.0000 34196.6555 -149018.0239 298.6479 -183214.6795 -148921.7396 299.8839 -218.9610 -186.5448 558328.8375 -3.4787 -3.5492 PRESSURE: 4725800 4.96406 89.4362 -56.7987 89.436 -197.099 63.9391 -56.7986 63.9393 -281.351 GPRESSURE: 4725800 4.51439 171.973 -49.3955 38.7543 -149.399 69.4286 -42.5563 21.7402 -224.904 PRESSAVG: 4725800 -1.27173 25.3724 -10.9382 25.3725 -12.7917 -19.6244 -10.9383 -19.6242 -12.3424 GPRESSAVG: 4725800 -2.61845 24.8839 -11.2115 27.1936 -11.8938 -17.4442 -9.57417 -20.8535 -11.7369 TIMING: 4725800 CPU: 14028.6, 0.00294455/step Wall: 14028.6, 0.00294455/step, 0.224277 hours remaining, 210.804688 MB of memory in use. ENERGY: 4725800 735.1527 2151.2458 1931.9312 111.9224 -205781.5134 17567.0840 0.0000 0.0000 34182.3144 -149101.8629 298.5227 -183284.1773 -149006.1574 299.8554 -157.8285 -123.2629 559667.0967 -8.8020 -8.7497 PRESSURE: 4726000 -90.0336 -108.406 -60.6633 -108.407 268.146 48.2086 -60.6641 48.2095 54.8875 GPRESSURE: 4726000 -69.9891 -92.1167 -44.4469 -128.895 288.8 75.9775 17.3196 25.8358 128.11 PRESSAVG: 4726000 20.8484 39.3174 -50.5668 39.3173 -17.2325 10.6512 -50.567 10.6511 -19.5823 GPRESSAVG: 4726000 20.938 41.1224 -50.365 37.8629 -17.3847 7.78027 -51.7264 11.585 -19.1074 TIMING: 4726000 CPU: 14029.2, 0.00294093/step Wall: 14029.2, 0.00294093/step, 0.223837 hours remaining, 210.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4726000 755.7050 2042.7562 1949.3726 124.7399 -206436.7578 17973.6466 0.0000 0.0000 34549.6485 -149040.8890 301.7307 -183590.5375 -148934.8681 299.4881 77.6666 115.6405 557887.8336 -5.3221 -5.1847 PRESSURE: 4726200 -287.401 51.9808 -81.475 51.9814 -307.127 231.87 -81.4749 231.869 -459.046 GPRESSURE: 4726200 -312.133 -13.8035 -68.928 74.9809 -196.068 243.474 -125.74 165.2 -446.685 PRESSAVG: 4726200 40.6876 30.0382 -33.6969 30.0382 -17.7853 30.0747 -33.6968 30.0747 -21.1414 GPRESSAVG: 4726200 40.5026 28.5807 -32.5108 31.818 -16.3332 32.4134 -33.6278 29.6806 -21.503 TIMING: 4726200 CPU: 14029.7, 0.00298642/step Wall: 14029.7, 0.00298642/step, 0.227134 hours remaining, 210.804688 MB of memory in use. ENERGY: 4726200 764.2334 2121.0386 1905.4964 113.8070 -205759.3804 17408.2165 0.0000 0.0000 34301.6099 -149144.9787 299.5645 -183446.5885 -149049.9484 299.2391 -351.1913 -318.2953 558162.4834 0.5870 0.8888 PRESSURE: 4726400 204.314 7.00615 -1.01021 7.00637 4.14672 61.8088 -1.00963 61.8084 -45.4439 GPRESSURE: 4726400 264.946 7.09798 -36.5969 87.0659 45.5182 75.0087 4.00535 142.228 -39.1812 PRESSAVG: 4726400 77.6432 -25.9948 6.16821 -25.9947 -27.8045 25.9457 6.16823 25.9457 -18.1308 GPRESSAVG: 4726400 77.6644 -26.8784 3.86735 -25.3814 -29.6721 25.7147 6.70757 25.4346 -16.0948 TIMING: 4726400 CPU: 14030.3, 0.0029627/step Wall: 14030.3, 0.0029627/step, 0.225165 hours remaining, 210.804688 MB of memory in use. ENERGY: 4726400 753.2754 2109.0616 1896.4339 100.2170 -206155.1708 17876.9621 0.0000 0.0000 34217.0862 -149202.1345 298.8263 -183419.2207 -149107.8705 298.9952 54.3391 90.4277 558745.5849 10.5693 10.6325 PRESSURE: 4726600 -266.059 -57.6078 96.4426 -57.6072 -366.745 8.05358 96.4437 8.05322 -413.734 GPRESSURE: 4726600 -183.415 -41.8012 198.167 -48.7522 -348.306 -15.3995 14.3903 43.4606 -419.925 PRESSAVG: 4726600 48.592 -30.6675 -3.82342 -30.6676 -51.4043 -13.4365 -3.82332 -13.4364 -40.9607 GPRESSAVG: 4726600 48.8748 -29.6857 -0.876586 -29.9772 -50.1066 -15.1753 -4.63233 -11.8536 -42.6231 TIMING: 4726600 CPU: 14030.9, 0.00296641/step Wall: 14030.9, 0.00296641/step, 0.225282 hours remaining, 210.804688 MB of memory in use. ENERGY: 4726600 755.3342 2129.9197 1908.8791 124.6282 -205443.3696 17155.3291 0.0000 0.0000 34255.5517 -149113.7277 299.1623 -183369.2793 -149017.9744 298.9818 -348.8461 -317.2152 559374.3446 -14.5910 -14.6183 PRESSURE: 4726800 -5.95406 -31.9271 -113.111 -31.9276 -113.5 -46.8167 -113.111 -46.8165 237.449 GPRESSURE: 4726800 61.9291 -103.265 -37.7427 -41.2614 -85.8472 -136.289 -21.7497 -60.1294 236.189 PRESSAVG: 4726800 29.5919 20.4669 27.4083 20.4669 -65.669 5.70706 27.4082 5.70706 40.5017 GPRESSAVG: 4726800 28.3363 20.1011 24.9209 19.2518 -66.5456 4.88996 27.485 7.30693 41.9286 TIMING: 4726800 CPU: 14031.5, 0.00298102/step Wall: 14031.5, 0.00298102/step, 0.226227 hours remaining, 210.804688 MB of memory in use. ENERGY: 4726800 759.0152 2137.7591 1930.7549 109.5149 -205907.6157 17641.4247 0.0000 0.0000 34352.8291 -148976.3177 300.0118 -183329.1468 -148877.7706 300.0177 39.3318 70.7568 556728.2020 1.4749 1.2397 PRESSURE: 4727000 87.3205 -85.4131 99.0161 -85.4126 -163.418 -94.9785 99.015 -94.9789 172.735 GPRESSURE: 4727000 117.507 -22.803 96.6282 6.54543 -173.465 -105.237 130.218 -32.9141 258.249 PRESSAVG: 4727000 -44.1732 28.2582 -19.1005 28.2582 14.0921 -15.6328 -19.1005 -15.6328 3.67215 GPRESSAVG: 4727000 -43.7442 30.6036 -18.2802 27.9849 14.299 -14.0217 -19.1703 -17.9307 3.45196 TIMING: 4727000 CPU: 14032.1, 0.00293857/step Wall: 14032.1, 0.00293857/step, 0.222842 hours remaining, 210.804688 MB of memory in use. ENERGY: 4727000 746.2346 2159.6326 1913.7197 111.8181 -205742.5864 17557.9333 0.0000 0.0000 34363.5194 -148889.7287 300.1052 -183253.2481 -148794.6061 299.5559 32.2124 67.4302 556016.8354 -8.8030 -8.6644 PRESSURE: 4727200 103.896 139.117 -12.5431 139.116 40.2866 -31.7341 -12.543 -31.7353 8.8762 GPRESSURE: 4727200 167.066 100.418 85.3805 92.9009 42.4888 2.77809 -40.3286 -7.68338 41.1736 PRESSAVG: 4727200 -61.1104 67.1582 74.3563 67.1582 44.185 -27.9982 74.3563 -27.9981 -27.7999 GPRESSAVG: 4727200 -61.1883 67.838 75.6355 66.9447 45.0349 -26.4303 74.3099 -28.2407 -28.5919 TIMING: 4727200 CPU: 14032.7, 0.00293188/step Wall: 14032.7, 0.00293188/step, 0.222172 hours remaining, 210.804688 MB of memory in use. ENERGY: 4727200 774.8077 2114.0387 1892.0481 115.7732 -206206.0520 17926.5788 0.0000 0.0000 34380.0621 -149002.7433 300.2496 -183382.8054 -148907.6430 300.5764 51.0195 83.5762 557337.9282 -14.9084 -14.9151 PRESSURE: 4727400 -216.376 -24.322 120.741 -24.3218 -60.1899 53.016 120.741 53.0162 125.775 GPRESSURE: 4727400 -167.665 -37.9068 79.0116 38.2389 -31.303 -128.907 126.694 181.564 138.601 PRESSAVG: 4727400 -18.8392 23.9252 -44.264 23.9253 32.2673 26.6714 -44.2639 26.6713 -15.3995 GPRESSAVG: 4727400 -18.5905 19.1797 -43.9531 24.4269 31.0021 24.5534 -42.3339 27.7252 -14.3222 TIMING: 4727400 CPU: 14033.3, 0.00292832/step Wall: 14033.3, 0.00292832/step, 0.221739 hours remaining, 210.804688 MB of memory in use. ENERGY: 4727400 738.5418 2058.9619 1934.4151 131.9444 -206100.5327 17796.4027 0.0000 0.0000 34434.6832 -149005.5836 300.7267 -183440.2668 -148901.2568 299.6610 -50.2635 -20.1223 557772.0466 -0.6571 -0.6369 PRESSURE: 4727600 -6.96975 -117.249 -21.1053 -117.248 227.417 170.349 -21.1056 170.349 -195.113 GPRESSURE: 4727600 29.7822 -103.335 -99.4445 -64.0892 244.075 170.952 -15.7018 253.698 -151.572 PRESSAVG: 4727600 -28.3601 43.7483 7.96725 43.7483 62.3867 47.2067 7.96727 47.2068 -45.4994 GPRESSAVG: 4727600 -29.1537 48.5753 6.4331 42.5503 63.703 49.7825 7.56131 46.5968 -46.0053 TIMING: 4727600 CPU: 14033.9, 0.00293882/step Wall: 14033.9, 0.00293882/step, 0.222371 hours remaining, 210.804688 MB of memory in use. ENERGY: 4727600 679.9336 2128.8697 1912.3714 117.0371 -205605.7462 17486.0740 0.0000 0.0000 34310.4625 -148970.9977 299.6418 -183281.4603 -148871.2220 299.4624 8.4448 40.7616 556971.7208 -3.8243 -3.8187 PRESSURE: 4727800 -60.9808 140.628 13.2522 140.627 -23.3237 83.3232 13.2512 83.3246 115.066 GPRESSURE: 4727800 -6.85741 114.205 4.49095 177.344 -44.9317 141.359 63.2442 53.2581 177.656 PRESSAVG: 4727800 31.1749 -32.5815 13.2155 -32.5815 35.4747 52.3666 13.2155 52.3667 -6.85266 GPRESSAVG: 4727800 31.9312 -32.1264 13.5259 -32.7112 34.8803 52.9989 11.7903 51.2639 -7.13639 TIMING: 4727800 CPU: 14034.5, 0.00296782/step Wall: 14034.5, 0.00296782/step, 0.2244 hours remaining, 210.804688 MB of memory in use. ENERGY: 4727800 770.3540 2091.5569 1926.5586 94.4458 -206263.3105 17857.5741 0.0000 0.0000 34375.6470 -149147.1741 300.2111 -183522.8211 -149050.9764 299.8959 10.2537 41.9556 557988.9828 19.9323 19.8917 PRESSURE: 4728000 77.0879 65.4675 39.2157 65.468 -303.314 -44.2275 39.2161 -44.2273 -322.937 GPRESSURE: 4728000 54.8705 -16.1177 87.8887 89.1214 -220.026 -47.0002 23.7736 23.4364 -289.475 PRESSAVG: 4728000 -50.7455 16.8511 16.4061 16.8511 15.9683 -11.0886 16.406 -11.0886 54.9211 GPRESSAVG: 4728000 -51.9024 15.3178 15.7297 18.3195 17.3914 -13.9738 17.0281 -9.54992 55.1861 TIMING: 4728000 CPU: 14035.1, 0.0029444/step Wall: 14035.1, 0.0029444/step, 0.222466 hours remaining, 210.804688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4728000 771.1909 2095.9057 1922.9416 123.2698 -205820.9047 17597.0406 0.0000 0.0000 34206.3029 -149104.2533 298.7322 -183310.5562 -149008.6712 300.2200 -183.0541 -151.5433 557679.4344 6.7146 6.8917 PRESSURE: 4728200 -129.074 76.0953 -51.8812 76.0947 -148.033 -86.8748 -51.8831 -86.8749 116.469 GPRESSURE: 4728200 -82.0596 120.162 13.0821 -56.4649 -141.922 -115.715 -94.0756 -142.642 153.241 PRESSAVG: 4728200 41.9852 23.6565 -16.1961 23.6565 17.8239 -30.7703 -16.1961 -30.7704 -82.8484 GPRESSAVG: 4728200 43.2675 22.7615 -15.0659 24.1753 16.7785 -29.0704 -16.537 -31.4616 -82.3282 TIMING: 4728200 CPU: 14035.7, 0.00294833/step Wall: 14035.7, 0.00294833/step, 0.222599 hours remaining, 210.804688 MB of memory in use. ENERGY: 4728200 741.3330 2059.1384 1907.5387 105.6218 -205876.5785 17574.0039 0.0000 0.0000 34457.3507 -149031.5920 300.9246 -183488.9426 -148935.6526 298.5939 -53.5461 -23.5802 556267.6416 -7.6797 -7.4274 LDB: ============= START OF LOAD BALANCING ============== 14039.2 LDB: ============== END OF LOAD BALANCING =============== 14039.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14039.2 LDB: ============= START OF LOAD BALANCING ============== 14039.5 LDB: Largest compute 4801 load 0.020426 is 17.3% of average load 0.118219 LDB: Average compute 0.001728 is 1.5% of average load 0.118219 LDB: TIME 14039.5 LOAD: AVG 0.118219 MAX 0.198583 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.895 MB LDB: TIME 14039.5 LOAD: AVG 0.118219 MAX 0.198583 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.902 MB LDB: TIME 14039.5 LOAD: AVG 0.118219 MAX 0.198583 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.902 MB LDB: ============== END OF LOAD BALANCING =============== 14039.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14039.5 PRESSURE: 4728400 -130.219 -59.4115 -97.0184 -59.4117 0.34899 8.63639 -97.018 8.63773 6.98905 GPRESSURE: 4728400 -140.699 -140.515 -26.096 -12.9413 47.0488 -0.836968 -155.934 5.19465 76.7629 PRESSAVG: 4728400 1.75926 1.70999 -22.3671 1.70999 -2.54859 -39.0268 -22.3671 -39.0268 -5.72076 GPRESSAVG: 4728400 1.00246 2.75787 -23.7207 2.59058 -2.19564 -40.6418 -22.8719 -39.5423 -5.7249 TIMING: 4728400 CPU: 14036.3, 0.00302454/step Wall: 14036.3, 0.00302454/step, 0.228185 hours remaining, 208.609375 MB of memory in use. ENERGY: 4728400 735.4000 2087.1258 1933.3713 115.1865 -205651.1460 17541.2480 0.0000 0.0000 34176.7667 -149062.0476 298.4742 -183238.8143 -148957.1644 299.3659 -40.9603 -5.6291 556538.9320 -2.1700 -2.3060 PRESSURE: 4728600 -110.053 74.3924 -24.1774 74.3915 -53.8161 -225.285 -24.1788 -225.288 75.2463 GPRESSURE: 4728600 -120.696 157.383 34.1569 7.77812 37.3093 -183.285 5.13712 -179.382 97.8202 PRESSAVG: 4728600 12.5398 -27.1831 -5.91336 -27.1831 -42.3663 47.9344 -5.91339 47.9343 36.978 GPRESSAVG: 4728600 13.0254 -26.9838 -4.62 -27.4912 -42.1756 49.232 -6.83248 49.217 36.6815 TIMING: 4728600 CPU: 14036.8, 0.00293262/step Wall: 14036.8, 0.00293262/step, 0.221087 hours remaining, 208.609375 MB of memory in use. ENERGY: 4728600 735.6076 2112.7362 1929.3425 113.7921 -206010.0502 17760.1671 0.0000 0.0000 34440.6942 -148917.7105 300.7791 -183358.4047 -148821.5169 299.6404 -29.5410 4.8112 556973.1778 2.3838 2.5104 PRESSURE: 4728800 -100.862 -62.8423 -158.373 -62.8425 -94.9223 -82.496 -158.373 -82.495 110.757 GPRESSURE: 4728800 -31.1858 -79.9894 -99.2029 -101.758 -118.474 -72.7525 -163.433 -151.553 150.409 PRESSAVG: 4728800 -1.64338 -29.1428 -51.4513 -29.1427 -4.19285 -93.3802 -51.4513 -93.3803 45.6553 GPRESSAVG: 4728800 -1.00657 -27.9139 -49.9603 -30.3458 -4.80951 -92.0605 -53.256 -95.0077 46.2272 TIMING: 4728800 CPU: 14037.4, 0.00293143/step Wall: 14037.4, 0.00293143/step, 0.220834 hours remaining, 208.609375 MB of memory in use. ENERGY: 4728800 757.6335 2070.1021 1942.0840 112.3696 -205860.3753 17702.9886 0.0000 0.0000 34414.1207 -148861.0768 300.5471 -183275.1975 -148762.0957 300.9472 -28.3423 0.2496 557618.1804 13.2730 13.4704 PRESSURE: 4729000 -178.307 -84.7651 113.546 -84.7645 -161.76 47.9679 113.543 47.9677 3.24154 GPRESSURE: 4729000 -217.709 -51.9439 105.673 -120.896 -133.266 10.7479 143.848 21.2372 114.801 PRESSAVG: 4729000 -24.2837 -17.0513 -38.3804 -17.0514 5.05566 -26.8368 -38.3804 -26.8368 70.3079 GPRESSAVG: 4729000 -23.1515 -16.2501 -41.4023 -15.6592 4.78909 -31.3531 -35.8741 -23.4208 69.6773 TIMING: 4729000 CPU: 14038, 0.00295976/step Wall: 14038, 0.00295976/step, 0.222804 hours remaining, 208.609375 MB of memory in use. ENERGY: 4729000 769.2721 2105.8353 1907.6720 126.0817 -205884.0729 17562.3603 0.0000 0.0000 34550.8473 -148862.0042 301.7411 -183412.8515 -148765.1048 300.6832 -112.2752 -78.7245 557948.1783 17.0266 17.1050 PRESSURE: 4729200 -229.641 -1.01634 -126.753 -1.01425 -82.113 -42.7922 -126.751 -42.7906 -260.113 GPRESSURE: 4729200 -165.185 18.7239 -173.537 -72.703 -66.3014 -21.4401 -120.442 57.0824 -232.838 PRESSAVG: 4729200 -37.2385 -34.5602 -30.2928 -34.5602 -7.56671 -9.78865 -30.2928 -9.78863 29.4795 GPRESSAVG: 4729200 -38.4287 -35.6546 -29.0624 -34.5575 -7.16374 -8.411 -29.314 -12.0489 29.8716 TIMING: 4729200 CPU: 14038.6, 0.00294579/step Wall: 14038.6, 0.00294579/step, 0.221589 hours remaining, 208.609375 MB of memory in use. ENERGY: 4729200 748.0645 2168.8974 1926.5450 119.6227 -205297.1610 17204.6299 0.0000 0.0000 34298.3426 -148831.0588 299.5360 -183129.4014 -148734.4746 300.1860 -190.6226 -154.7748 557863.9255 -5.1086 -5.2403 PRESSURE: 4729400 146.861 3.44836 -34.1049 3.44889 450.325 72.7357 -34.1053 72.7344 237.597 GPRESSURE: 4729400 161.497 -8.21861 3.51221 38.3137 463.367 17.1523 -111.855 108.827 304.718 PRESSAVG: 4729400 -32.235 33.5539 -84.3105 33.5538 30.507 -23.7756 -84.3105 -23.7755 -17.838 GPRESSAVG: 4729400 -32.331 32.7043 -83.283 32.4312 29.8946 -23.47 -85.3643 -23.102 -17.3404 TIMING: 4729400 CPU: 14039.2, 0.00295559/step Wall: 14039.2, 0.00295559/step, 0.222162 hours remaining, 208.609375 MB of memory in use. ENERGY: 4729400 713.1378 2083.5074 1914.6299 113.1844 -206459.2304 18049.5509 0.0000 0.0000 34612.8627 -148972.3573 302.2827 -183585.2200 -148875.9660 299.6924 278.2613 309.8606 556121.5699 -6.5220 -6.5923 PRESSURE: 4729600 128.443 -80.4592 -177.87 -80.4579 141.687 52.8286 -177.871 52.8289 -216.497 GPRESSURE: 4729600 88.4153 -52.1223 -123.14 -212.104 183.036 89.3502 -210 21.4243 -121.436 PRESSAVG: 4729600 -29.2823 20.6778 -15.768 20.6778 30.499 -17.3715 -15.7679 -17.3716 1.42469 GPRESSAVG: 4729600 -29.3243 22.5123 -17.166 20.4763 31.6779 -17.4106 -15.2747 -18.5416 0.234909 TIMING: 4729600 CPU: 14039.8, 0.0029364/step Wall: 14039.8, 0.0029364/step, 0.220556 hours remaining, 208.609375 MB of memory in use. ENERGY: 4729600 751.2737 2117.7488 1938.2301 102.7420 -206251.1250 17769.5049 0.0000 0.0000 34563.0368 -149008.5887 301.8476 -183571.6255 -148911.9386 300.0590 17.8774 50.0049 555880.7372 0.8805 0.8628 PRESSURE: 4729800 12.8424 -56.3022 -119.177 -56.302 -184.039 -140.474 -119.177 -140.475 -259.568 GPRESSURE: 4729800 8.01221 -24.154 -131.622 -18.358 -135.268 -87.529 -99.7722 -111.51 -198.01 PRESSAVG: 4729800 36.8735 -12.7052 -7.98155 -12.7052 1.09551 -43.3966 -7.98168 -43.3967 -39.5218 GPRESSAVG: 4729800 36.4222 -13.8112 -7.59405 -11.4772 1.38003 -43.0403 -9.19231 -42.811 -39.1436 TIMING: 4729800 CPU: 14040.4, 0.00293466/step Wall: 14040.4, 0.00293466/step, 0.220263 hours remaining, 208.609375 MB of memory in use. ENERGY: 4729800 767.2213 2128.5732 1914.1433 108.4920 -205892.3321 17558.0404 0.0000 0.0000 34283.5580 -149132.3039 299.4068 -183415.8620 -149038.0808 300.4379 -143.5883 -108.4219 555707.3524 -0.5176 -0.4471 PRESSURE: 4730000 67.8988 12.8696 -30.3706 12.8691 -4.90818 -55.1065 -30.3703 -55.1065 15.368 GPRESSURE: 4730000 133.865 79.992 39.7286 -93.5578 7.55179 -21.7189 -54.0607 -178.728 30.9244 PRESSAVG: 4730000 48.6391 21.7439 -9.87157 21.7438 -30.0469 -24.5192 -9.87148 -24.5191 -18.5434 GPRESSAVG: 4730000 48.8222 23.6627 -8.32578 21.0819 -29.6509 -25.2643 -10.2786 -25.2697 -19.3359 TIMING: 4730000 CPU: 14041, 0.00290396/step Wall: 14041, 0.00290396/step, 0.217797 hours remaining, 208.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4730000 754.8986 2133.6222 1917.8452 116.2328 -206262.7679 17799.0891 0.0000 0.0000 34374.7415 -149166.3384 300.2032 -183541.0800 -149071.7099 299.3293 26.1195 57.4469 555449.3739 0.0163 -0.0549 PRESSURE: 4730200 153.147 -56.0126 -224.99 -56.0116 -13.9682 -202.75 -224.99 -202.751 0.742792 GPRESSURE: 4730200 161.628 -6.4954 -186.519 -90.9758 6.16388 -218.866 -248.972 -162.831 56.3489 PRESSAVG: 4730200 58.3661 -34.4778 -27.4837 -34.4778 -51.4957 -32.9253 -27.4836 -32.9253 -25.3115 GPRESSAVG: 4730200 57.9342 -35.6553 -27.3339 -34.3182 -51.4137 -34.556 -27.5202 -32.0449 -25.0415 TIMING: 4730200 CPU: 14041.5, 0.00292924/step Wall: 14041.5, 0.00292924/step, 0.21953 hours remaining, 208.609375 MB of memory in use. ENERGY: 4730200 731.8472 2136.7599 1900.3699 113.7672 -206084.3652 17776.9374 0.0000 0.0000 34278.2225 -149146.4612 299.3602 -183424.6836 -149054.7705 299.6575 46.6406 74.7135 556388.0828 -6.1470 -6.1737 PRESSURE: 4730400 -328.408 -71.6994 19.2991 -71.6989 -154.38 -20.891 19.2993 -20.8926 -65.8822 GPRESSURE: 4730400 -262.673 1.2103 28.5762 -178.912 -168.179 -4.25788 148.652 6.52988 -29.8252 PRESSAVG: 4730400 65.9692 -18.6681 -18.2914 -18.6681 -9.67961 -64.1703 -18.2914 -64.1703 -42.7603 GPRESSAVG: 4730400 66.8459 -18.4185 -20.0202 -19.9466 -9.80518 -62.3396 -18.648 -64.2679 -43.7509 TIMING: 4730400 CPU: 14042.1, 0.0029392/step Wall: 14042.1, 0.0029392/step, 0.220114 hours remaining, 208.609375 MB of memory in use. ENERGY: 4730400 781.5693 2085.6626 1902.9579 125.0059 -205933.2892 17464.2473 0.0000 0.0000 34258.2074 -149315.6388 299.1854 -183573.8461 -149214.6366 299.7637 -182.8899 -153.5594 555045.5926 4.5098 4.4299 PRESSURE: 4730600 59.9611 -190.614 -223.563 -190.614 147.878 4.82799 -223.563 4.82808 -25.9645 GPRESSURE: 4730600 71.6069 -202.947 -305.879 -220.612 153.119 81.4037 -160.502 24.6089 53.4045 PRESSAVG: 4730600 -0.422801 15.0519 27.7045 15.0519 15.5433 -30.2386 27.7046 -30.2386 -25.6236 GPRESSAVG: 4730600 -0.41188 14.1923 30.1656 17.2696 14.9194 -30.1438 27.4303 -31.0482 -25.1109 TIMING: 4730600 CPU: 14042.7, 0.00294711/step Wall: 14042.7, 0.00294711/step, 0.220542 hours remaining, 208.609375 MB of memory in use. ENERGY: 4730600 725.3715 2066.2305 1890.2281 102.2399 -205938.3270 17654.6139 0.0000 0.0000 34171.8822 -149327.7609 298.4315 -183499.6431 -149229.0382 298.7873 60.6247 92.7101 554626.4531 -3.5010 -3.5345 PRESSURE: 4730800 90.0674 126.763 148.647 126.763 139.352 199.761 148.647 199.761 41.6609 GPRESSURE: 4730800 147.62 82.9264 160.106 149.727 140.564 178.233 89.0923 121.788 81.659 PRESSAVG: 4730800 25.0538 -12.071 -54.5025 -12.071 53.6281 20.201 -54.5023 20.2011 -63.2681 GPRESSAVG: 4730800 24.6151 -11.6542 -56.6319 -12.4997 54.2623 21.4931 -52.3325 17.9713 -63.6732 TIMING: 4730800 CPU: 14043.3, 0.00293238/step Wall: 14043.3, 0.00293238/step, 0.219277 hours remaining, 208.609375 MB of memory in use. ENERGY: 4730800 718.9008 2144.1949 1921.6992 102.8985 -206135.5529 17719.3673 0.0000 0.0000 34102.5005 -149425.9918 297.8256 -183528.4924 -149326.6041 298.8683 90.3600 123.2811 555895.1571 5.1379 5.0680 PRESSURE: 4731000 -39.1588 -130.458 -125.982 -130.458 -203.096 252.016 -125.982 252.017 -20.6086 GPRESSURE: 4731000 -26.5694 -151.137 -103.796 -149.946 -200.355 196.703 -138.637 241.7 53.0206 PRESSAVG: 4731000 52.8399 -23.3239 22.6183 -23.3238 11.5124 38.7003 22.6184 38.7004 -33.2825 GPRESSAVG: 4731000 52.8204 -21.3992 24.4216 -23.162 10.436 37.0431 20.6845 41.0565 -32.342 TIMING: 4731000 CPU: 14043.9, 0.00292912/step Wall: 14043.9, 0.00292912/step, 0.21887 hours remaining, 208.609375 MB of memory in use. ENERGY: 4731000 730.5066 2085.7571 1944.2854 109.7233 -206163.6863 17613.4321 0.0000 0.0000 34234.7798 -149445.2019 298.9808 -183679.9817 -149339.3944 298.7075 -87.6211 -57.9678 556295.1794 10.3566 10.3048 PRESSURE: 4731200 -72.0539 -5.39001 51.6078 -5.38914 -130.827 -65.1667 51.6069 -65.1673 -290.107 GPRESSURE: 4731200 13.7233 13.2279 39.8776 83.8778 -95.3584 -28.5093 -20.9002 -66.7384 -315.875 PRESSAVG: 4731200 90.3422 -34.9603 -6.00087 -34.9603 -74.7884 -8.12914 -6.00081 -8.12919 8.59021 GPRESSAVG: 4731200 90.3816 -36.6535 -6.50175 -34.4361 -74.6395 -8.21807 -4.66716 -7.90622 8.79554 TIMING: 4731200 CPU: 14044.5, 0.00293727/step Wall: 14044.5, 0.00293727/step, 0.219316 hours remaining, 208.609375 MB of memory in use. ENERGY: 4731200 712.3744 2131.6518 1932.5260 128.5014 -206356.9015 17734.9946 0.0000 0.0000 34164.6415 -149552.2117 298.3683 -183716.8532 -149461.2698 298.4005 -164.3291 -132.5033 558087.0747 8.0480 8.1792 PRESSURE: 4731400 306.076 -189.397 128.591 -189.397 -26.3447 -93.6386 128.592 -93.6387 -5.31209 GPRESSURE: 4731400 335.079 -201.917 113.483 -135.792 11.5434 -15.8849 176.555 -111.415 15.2374 PRESSAVG: 4731400 75.9085 -49.1355 27.2731 -49.1354 -59.5232 7.85239 27.273 7.85243 -60.2944 GPRESSAVG: 4731400 75.9131 -49.7065 28.2487 -48.8932 -58.1238 6.79488 25.7554 8.61719 -61.2053 TIMING: 4731400 CPU: 14045.1, 0.00292649/step Wall: 14045.1, 0.00292649/step, 0.218349 hours remaining, 208.609375 MB of memory in use. ENERGY: 4731400 721.6040 2035.8371 1908.6117 100.5878 -206492.1435 17902.1332 0.0000 0.0000 34266.6967 -149556.6730 299.2596 -183823.3697 -149456.4713 298.8793 91.4730 120.6200 557007.2821 -14.6364 -14.4720 PRESSURE: 4731600 141.016 179.317 37.2089 179.317 -49.5481 131.117 37.2105 131.115 -257.521 GPRESSURE: 4731600 197.597 121.911 51.1522 201.455 -29.444 131.408 17.0451 59.6429 -230.738 PRESSAVG: 4731600 74.8154 20.7238 -2.77802 20.7239 -19.4149 21.3936 -2.77804 21.3936 -53.8212 GPRESSAVG: 4731600 75.427 21.2541 -3.76949 20.0601 -19.3873 21.9859 -2.54967 20.1635 -54.6324 TIMING: 4731600 CPU: 14045.6, 0.00291064/step Wall: 14045.6, 0.00291064/step, 0.217004 hours remaining, 208.609375 MB of memory in use. ENERGY: 4731600 737.1885 2097.5524 1934.6845 114.7137 -206464.9440 17818.8699 0.0000 0.0000 34316.6417 -149445.2933 299.6958 -183761.9350 -149345.5453 298.7322 -55.3510 -20.8618 557432.6403 0.5264 0.4691 PRESSURE: 4731800 -13.1545 162.423 10.4531 162.423 -194.71 -20.0674 10.454 -20.0677 182.599 GPRESSURE: 4731800 18.9988 106.192 59.8384 155.814 -119.897 98.9397 40.502 -52.341 181.719 PRESSAVG: 4731800 79.3798 16.0708 53.0926 16.0709 -26.9068 13.19 53.0927 13.19 4.26201 GPRESSAVG: 4731800 78.9087 16.1928 54.6557 16.8737 -26.9125 14.0336 53.2349 13.9587 4.5361 TIMING: 4731800 CPU: 14046.2, 0.00289967/step Wall: 14046.2, 0.00289967/step, 0.216026 hours remaining, 208.609375 MB of memory in use. ENERGY: 4731800 762.5333 2092.0027 1907.9843 117.9123 -206071.3337 17723.8990 0.0000 0.0000 34059.9141 -149407.0880 297.4537 -183467.0021 -149315.4745 298.9707 -8.4221 26.9400 556391.7948 18.9117 18.8441 PRESSURE: 4732000 1.92626 88.5995 -87.9353 88.5986 161.53 -26.8529 -87.9346 -26.8537 23.6966 GPRESSURE: 4732000 -17.1646 121.816 -67.82 10.3452 192.786 -26.0963 -23.6899 -11.1269 95.6172 PRESSAVG: 4732000 -36.2413 46.7188 -77.1436 46.7188 21.7566 -12.3852 -77.1435 -12.3852 7.94924 GPRESSAVG: 4732000 -36.354 47.2058 -78.5596 43.8529 20.8246 -13.6891 -74.495 -13.1916 9.16397 TIMING: 4732000 CPU: 14046.8, 0.00292263/step Wall: 14046.8, 0.00292263/step, 0.217573 hours remaining, 208.609375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4732000 719.8120 2100.3548 1922.8606 121.2607 -206479.1695 17971.4389 0.0000 0.0000 34234.9650 -149408.4775 298.9825 -183643.4425 -149317.8679 299.0962 62.3844 90.4130 557102.8330 -2.1785 -2.1218 PRESSURE: 4732200 -127.159 -6.13544 -210.808 -6.13543 -117.249 -172.012 -210.809 -172.013 -27.8309 GPRESSURE: 4732200 -112.426 -6.71796 -195.522 80.8495 -62.4888 -124.142 -279.011 -221.516 -18.7803 PRESSAVG: 4732200 -32.0871 -12.0616 2.47533 -12.0616 15.726 -4.40659 2.47536 -4.40668 28.1798 GPRESSAVG: 4732200 -32.685 -13.0437 3.34001 -8.0409 16.6153 -5.11793 -0.122408 -2.42643 28.0846 TIMING: 4732200 CPU: 14047.4, 0.00293324/step Wall: 14047.4, 0.00293324/step, 0.2182 hours remaining, 208.609375 MB of memory in use. ENERGY: 4732200 756.7550 2109.2903 1912.8152 100.6445 -206264.6286 17714.5376 0.0000 0.0000 34312.5955 -149357.9907 299.6604 -183670.5862 -149264.1677 299.7977 -90.7465 -64.5651 556847.4245 3.9396 4.0050 LDB: ============= START OF LOAD BALANCING ============== 14050.9 LDB: ============== END OF LOAD BALANCING =============== 14050.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14050.9 LDB: ============= START OF LOAD BALANCING ============== 14051.2 LDB: Largest compute 4801 load 0.020367 is 17.2% of average load 0.118248 LDB: Average compute 0.001731 is 1.5% of average load 0.118248 LDB: TIME 14051.2 LOAD: AVG 0.118248 MAX 0.196589 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.285 MB LDB: TIME 14051.2 LOAD: AVG 0.118248 MAX 0.196589 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.289 MB LDB: TIME 14051.2 LOAD: AVG 0.118248 MAX 0.196589 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.289 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14051.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14051.2 PRESSURE: 4732400 76.4426 25.6258 61.9149 25.6244 -36.4811 41.4902 61.9119 41.4892 226.388 GPRESSURE: 4732400 113.258 -38.148 65.1721 7.54236 -19.0121 55.0257 -48.7922 1.19764 271.61 PRESSAVG: 4732400 14.5864 -35.014 -15.2592 -35.014 -62.7178 -13.5055 -15.2592 -13.5055 57.1279 GPRESSAVG: 4732400 14.181 -35.0756 -18.17 -38.0128 -62.3181 -11.4138 -13.887 -14.7827 57.2081 TIMING: 4732400 CPU: 14048, 0.002987/step Wall: 14048, 0.002987/step, 0.222034 hours remaining, 209.765625 MB of memory in use. ENERGY: 4732400 734.4440 2130.3243 1927.4716 117.1298 -206602.9624 18106.6187 0.0000 0.0000 34338.6237 -149248.3504 299.8877 -183586.9741 -149154.3244 299.4329 88.7831 121.9520 557734.7822 2.9988 3.0237 PRESSURE: 4732600 18.2746 93.9465 76.1129 93.9462 150.902 -75.5499 76.1107 -75.5504 37.653 GPRESSURE: 4732600 15.0825 87.8027 7.80281 224.74 202.403 -10.0223 126.599 -81.6798 98.1775 PRESSAVG: 4732600 -8.73504 28.3816 -21.8665 28.3817 48.4804 -10.065 -21.8666 -10.0649 0.271847 GPRESSAVG: 4732600 -7.53075 28.1742 -20.5652 30.438 46.6064 -11.1155 -22.0009 -8.61534 0.326788 TIMING: 4732600 CPU: 14048.6, 0.00292355/step Wall: 14048.6, 0.00292355/step, 0.217155 hours remaining, 209.765625 MB of memory in use. ENERGY: 4732600 774.2962 2136.8734 1909.7492 125.9449 -206345.8566 18002.7083 0.0000 0.0000 34326.4831 -149069.8015 299.7817 -183396.2845 -148971.9154 298.9623 68.9432 105.2210 557731.1594 13.3391 13.1342 PRESSURE: 4732800 -115.086 -68.5363 -77.1144 -68.5367 31.3266 -49.4347 -77.115 -49.435 186.99 GPRESSURE: 4732800 -98.1944 -79.9466 -124.725 -53.2925 102.084 -25.4234 -24.6496 -0.252783 185.746 PRESSAVG: 4732800 8.40023 0.97068 0.747814 0.970626 44.9592 44.1993 0.747815 44.1994 -55.9068 GPRESSAVG: 4732800 8.75462 0.0380976 1.28826 0.308373 45.7403 43.2872 0.536811 43.7031 -56.8695 TIMING: 4732800 CPU: 14049.2, 0.00292336/step Wall: 14049.2, 0.00292336/step, 0.216978 hours remaining, 209.765625 MB of memory in use. ENERGY: 4732800 787.7392 2073.5340 1901.5096 114.8700 -205965.2702 17856.6812 0.0000 0.0000 34199.7555 -149031.1806 298.6750 -183230.9361 -148935.5317 299.9609 34.4102 63.2119 557876.8169 -0.8491 -0.7915 PRESSURE: 4733000 180.827 228.264 8.17753 228.263 211.412 -31.3957 8.17671 -31.3969 56.2237 GPRESSURE: 4733000 222.332 183.5 -37.1397 221.063 257.144 38.2117 -33.0429 -64.4233 56.8657 PRESSAVG: 4733000 12.1727 -38.7443 12.0189 -38.7442 38.1778 8.92823 12.0188 8.92815 -41.548 GPRESSAVG: 4733000 11.5283 -37.3405 12.2211 -38.3126 38.6534 11.7851 13.0826 7.21326 -41.4503 TIMING: 4733000 CPU: 14049.7, 0.00291647/step Wall: 14049.7, 0.00291647/step, 0.216305 hours remaining, 209.765625 MB of memory in use. ENERGY: 4733000 706.2433 2164.6651 1947.5302 107.9823 -206531.8359 18011.5740 0.0000 0.0000 34442.1468 -149151.6944 300.7918 -183593.8412 -149061.6558 299.2401 149.4877 178.7808 556500.6945 2.9342 2.9105 PRESSURE: 4733200 361.82 -162.291 -51.1997 -162.291 212.542 65.8933 -51.1979 65.8926 254.65 GPRESSURE: 4733200 366.818 -187.903 -102.958 -118.886 224.592 97.9904 -70.4973 17.3271 346.804 PRESSAVG: 4733200 67.0017 25.5591 2.81564 25.5591 9.83708 -25.9572 2.81575 -25.9571 -51.4154 GPRESSAVG: 4733200 67.2456 24.046 4.44169 26.2128 9.41179 -26.9269 1.10225 -26.1313 -50.8073 TIMING: 4733200 CPU: 14050.3, 0.00291821/step Wall: 14050.3, 0.00291821/step, 0.216272 hours remaining, 209.765625 MB of memory in use. ENERGY: 4733200 737.9632 2117.6396 1923.0208 100.3637 -206448.3451 18234.8278 0.0000 0.0000 34262.6643 -149071.8657 299.2244 -183334.5300 -148974.0969 299.9456 276.3374 312.7378 556279.5854 8.4745 8.6167 PRESSURE: 4733400 -220.682 -119.427 27.8142 -119.428 98.4225 -8.3945 27.8149 -8.39509 4.21874 GPRESSURE: 4733400 -181.31 -187.551 -13.3028 -47.0403 155.189 -65.2404 39.2818 55.3788 12.4688 PRESSAVG: 4733400 30.5654 -5.17807 -37.8541 -5.17813 34.7884 -7.15098 -37.854 -7.15096 -34.3895 GPRESSAVG: 4733400 31.1302 -3.75878 -39.8398 -7.08724 34.2226 -9.30644 -36.9949 -6.51215 -34.1751 TIMING: 4733400 CPU: 14050.9, 0.00290505/step Wall: 14050.9, 0.00290505/step, 0.215135 hours remaining, 209.765625 MB of memory in use. ENERGY: 4733400 762.5566 2040.5221 1933.4387 107.2968 -206137.8601 17931.1252 0.0000 0.0000 34335.1860 -149027.7347 299.8577 -183362.9207 -148927.7832 299.8044 -39.3469 -4.5507 557796.1736 10.3215 10.3926 PRESSURE: 4733600 8.03493 -134.835 -141.458 -134.835 -43.3578 51.7987 -141.457 51.7976 214.157 GPRESSURE: 4733600 63.2963 -76.6542 -64.2779 -95.2496 6.03971 54.8659 -37.5028 46.6391 197.612 PRESSAVG: 4733600 -36.0762 -12.0474 27.6469 -12.0474 14.8271 3.66885 27.6469 3.66883 3.58406 GPRESSAVG: 4733600 -35.9227 -13.1049 30.8345 -11.6087 15.3217 5.43889 25.673 3.20405 2.92714 TIMING: 4733600 CPU: 14051.5, 0.00295965/step Wall: 14051.5, 0.00295965/step, 0.219014 hours remaining, 209.765625 MB of memory in use. ENERGY: 4733600 747.9613 2140.2037 1916.8296 122.5593 -206019.4944 17699.0021 0.0000 0.0000 34439.0210 -148953.9175 300.7645 -183392.9385 -148867.5769 300.3420 59.6113 88.9827 557262.6712 -5.8884 -5.8913 PRESSURE: 4733800 30.3973 29.4817 86.8373 29.4813 -189.961 29.3084 86.8379 29.3093 -406.215 GPRESSURE: 4733800 38.6774 69.6584 67.7658 26.848 -199.979 -1.55811 165.295 36.7072 -307.142 PRESSAVG: 4733800 -10.4933 -0.86212 -17.5559 -0.861971 -24.9958 13.1046 -17.5559 13.1047 54.0115 GPRESSAVG: 4733800 -12.8503 -0.259407 -19.7751 -0.925107 -23.9645 12.1317 -14.9577 13.2846 55.2908 TIMING: 4733800 CPU: 14052.1, 0.00298722/step Wall: 14052.1, 0.00298722/step, 0.220888 hours remaining, 209.765625 MB of memory in use. ENERGY: 4733800 761.8725 2085.0230 1920.9551 96.8632 -205580.6266 17316.3047 0.0000 0.0000 34449.0225 -148950.5856 300.8519 -183399.6081 -148861.4462 300.7852 -188.5929 -156.1476 555953.8733 6.1741 6.1587 PRESSURE: 4734000 122.329 -83.4255 -107.313 -83.4259 68.6766 -11.3368 -107.314 -11.3384 -166.043 GPRESSURE: 4734000 85.3301 8.52004 -112.346 -126.506 128.181 14.3322 -152.131 -49.5293 -87.2041 PRESSAVG: 4734000 16.9112 8.44257 4.70345 8.44265 -4.92748 -10.7313 4.70338 -10.7313 22.8573 GPRESSAVG: 4734000 18.0523 8.38177 5.3232 7.19812 -5.45252 -8.12069 4.59793 -10.7228 22.2679 TIMING: 4734000 CPU: 14052.7, 0.00294815/step Wall: 14052.7, 0.00294815/step, 0.217835 hours remaining, 209.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4734000 703.9766 2123.2775 1939.4959 112.1134 -205832.2314 17642.5939 0.0000 0.0000 34547.4233 -148763.3508 301.7112 -183310.7741 -148667.9179 300.9788 8.3208 42.1022 556975.2060 11.6137 11.6226 PRESSURE: 4734200 -158.918 -3.15035 30.8926 -3.14933 213.285 -9.55923 30.8924 -9.55902 -87.943 GPRESSURE: 4734200 -90.7678 71.3497 90.1006 -22.4983 214.333 -1.83339 -14.1963 -120.801 -67.2409 PRESSAVG: 4734200 -11.9333 19.1587 -2.47843 19.1587 66.5722 -8.61436 -2.47847 -8.61436 -67.1487 GPRESSAVG: 4734200 -12.1638 18.2505 -2.3986 21.8951 66.638 -11.1298 -4.75272 -7.74485 -66.6389 TIMING: 4734200 CPU: 14053.3, 0.00292177/step Wall: 14053.3, 0.00292177/step, 0.215724 hours remaining, 209.765625 MB of memory in use. ENERGY: 4734200 748.1436 2045.9058 1944.8172 112.0475 -205566.9730 17502.6543 0.0000 0.0000 34520.0981 -148693.3064 301.4726 -183213.4045 -148598.9933 300.8661 -11.1922 18.7748 558457.3620 -4.1699 -4.0549 PRESSURE: 4734400 37.1554 67.549 -19.8404 67.549 45.4056 -78.8811 -19.84 -78.8804 -29.7368 GPRESSURE: 4734400 89.7967 91.5785 -32.0721 -16.3726 89.1388 -60.4406 -36.0938 -112.461 -27.7665 PRESSAVG: 4734400 -69.1819 58.4514 57.7264 58.4513 66.5968 -5.17792 57.7265 -5.17796 -14.1021 GPRESSAVG: 4734400 -68.3562 56.5614 58.265 57.0018 67.1098 -3.9998 59.1742 -5.36709 -16.2041 TIMING: 4734400 CPU: 14053.9, 0.00292687/step Wall: 14053.9, 0.00292687/step, 0.215938 hours remaining, 209.765625 MB of memory in use. ENERGY: 4734400 755.9882 2119.4528 1955.5056 120.9319 -205700.9759 17727.6039 0.0000 0.0000 34273.9468 -148747.5467 299.3229 -183021.4935 -148653.2174 300.8246 17.6081 50.3897 557561.5293 -5.5624 -5.8168 PRESSURE: 4734600 -48.5555 71.9088 9.42648 71.9087 -225.74 -209.224 9.4256 -209.224 -165.751 GPRESSURE: 4734600 -10.3856 17.0372 -27.2523 71.0882 -210.461 -179.551 7.89268 -149.151 -127.582 PRESSAVG: 4734600 26.0721 -37.3743 23.6803 -37.3743 -52.9454 -27.1138 23.6803 -27.1138 59.0445 GPRESSAVG: 4734600 26.0418 -35.3148 22.1503 -37.804 -54.7662 -27.0774 24.7488 -27.6461 60.5979 TIMING: 4734600 CPU: 14054.4, 0.00292433/step Wall: 14054.4, 0.00292433/step, 0.215588 hours remaining, 209.765625 MB of memory in use. ENERGY: 4734600 725.1049 2079.0238 1931.2840 110.4024 -205660.7169 17504.3897 0.0000 0.0000 34354.4370 -148956.0751 300.0258 -183310.5121 -148854.1625 299.8381 -146.6821 -116.1430 558308.7830 10.7237 10.6245 PRESSURE: 4734800 -21.1023 -70.571 -52.2168 -70.5709 -95.713 -141.475 -52.2173 -141.476 -130.22 GPRESSURE: 4734800 43.386 42.5565 -63.4633 -98.4666 -102.13 -141.788 -54.5393 -27.0006 -84.9383 PRESSAVG: 4734800 44.8791 -32.0248 39.8455 -32.0248 -85.2229 -14.4022 39.8456 -14.4022 9.90643 GPRESSAVG: 4734800 44.963 -31.0007 41.6978 -32.4356 -83.9873 -15.107 37.6678 -13.1971 8.9742 TIMING: 4734800 CPU: 14055, 0.00293349/step Wall: 14055, 0.00293349/step, 0.2161 hours remaining, 209.765625 MB of memory in use. ENERGY: 4734800 736.7631 2059.4972 1924.6479 115.9482 -206106.0714 17782.1827 0.0000 0.0000 34386.3977 -149100.6347 300.3050 -183487.0324 -149003.7816 299.6916 -82.3451 -47.8942 558387.1957 -10.1458 -10.0167 PRESSURE: 4735000 29.1644 -13.6007 72.6997 -13.601 -97.5639 134.63 72.7 134.63 181.155 GPRESSURE: 4735000 88.736 10.2773 64.3487 13.5615 -124.329 50.781 100.843 176.395 245.29 PRESSAVG: 4735000 54.4234 -20.4153 -14.5776 -20.4153 -32.9057 -55.7686 -14.5777 -55.7686 -41.1052 GPRESSAVG: 4735000 53.3067 -21.5363 -14.4377 -18.715 -31.9804 -56.7112 -13.5378 -56.2385 -40.974 TIMING: 4735000 CPU: 14055.6, 0.00294389/step Wall: 14055.6, 0.00294389/step, 0.216703 hours remaining, 209.765625 MB of memory in use. ENERGY: 4735000 729.6207 2126.7022 1946.4418 117.2277 -205805.0870 17765.3286 0.0000 0.0000 33951.1239 -149168.6420 296.5036 -183119.7660 -149067.6737 299.2697 37.5853 69.8989 558174.1569 -6.5292 -6.5492 PRESSURE: 4735200 256.516 -148.729 154.778 -148.73 -45.5398 24.9976 154.778 24.9964 -133.221 GPRESSURE: 4735200 301.361 -176.31 128.591 -78.793 -39.6157 -27.5512 180.44 57.2888 -85.3348 PRESSAVG: 4735200 60.9706 -2.81278 26.2518 -2.81287 -61.1439 7.62971 26.2518 7.62971 31.1875 GPRESSAVG: 4735200 61.4352 -1.31019 25.8047 -5.4613 -62.153 8.08921 25.8167 8.139 30.7726 TIMING: 4735200 CPU: 14056.2, 0.00296187/step Wall: 14056.2, 0.00296187/step, 0.217862 hours remaining, 210.023438 MB of memory in use. ENERGY: 4735200 777.8815 2062.5003 1908.1778 102.6294 -206288.2571 17822.1300 0.0000 0.0000 34261.3490 -149353.5891 299.2129 -183614.9381 -149252.9630 298.5781 25.9183 58.8036 556494.7617 10.3381 10.0183 PRESSURE: 4735400 26.442 162.655 -63.571 162.655 -109.795 -201.501 -63.5705 -201.501 -25.6255 GPRESSURE: 4735400 81.3921 71.4107 -89.786 172.146 -18.1658 -224.167 -95.9991 -215.161 -54.2888 PRESSAVG: 4735400 4.99564 21.196 -0.518795 21.196 2.34613 -55.3604 -0.518874 -55.3603 -0.0468445 GPRESSAVG: 4735400 4.57081 19.7266 -0.261761 22.156 2.30646 -54.003 0.161072 -55.2434 0.378395 TIMING: 4735400 CPU: 14056.8, 0.00293133/step Wall: 14056.8, 0.00293134/step, 0.215453 hours remaining, 210.023438 MB of memory in use. ENERGY: 4735400 742.3038 2062.8218 1919.8663 114.1841 -206019.8129 17711.2185 0.0000 0.0000 34124.1529 -149345.2656 298.0147 -183469.4184 -149247.9742 298.5588 -36.3263 2.9792 557978.0340 2.4316 2.4186 PRESSURE: 4735600 -160.608 -134.849 -100.819 -134.849 -61.455 -38.7907 -100.819 -38.7899 -195.834 GPRESSURE: 4735600 -135.488 -229.099 -146.301 -163.817 -4.96578 -46.1495 -77.8394 -26.5865 -193.088 PRESSAVG: 4735600 -14.0379 -15.1984 41.1623 -15.1985 -51.0993 -25.3942 41.1623 -25.3941 70.6192 GPRESSAVG: 4735600 -13.8709 -15.5755 38.6931 -14.8689 -51.0158 -26.3138 41.87 -25.4585 70.1615 TIMING: 4735600 CPU: 14057.4, 0.0029228/step Wall: 14057.4, 0.0029228/step, 0.214664 hours remaining, 210.023438 MB of memory in use. ENERGY: 4735600 728.5689 2102.7405 1921.5480 108.6474 -205981.2612 17761.8450 0.0000 0.0000 34027.6959 -149330.2154 297.1723 -183357.9113 -149233.1408 298.1861 -139.2990 -111.1806 558574.1446 1.8273 1.7582 PRESSURE: 4735800 -168.116 -151.336 86.7509 -151.335 -299.13 6.00442 86.7516 6.00444 -412.721 GPRESSURE: 4735800 -182.23 -142.678 43.4533 -143.998 -166.635 -15.9203 83.6265 52.5537 -441.311 PRESSAVG: 4735800 50.8591 2.67446 18.8207 2.67458 7.0459 54.5091 18.8207 54.5092 -45.4981 GPRESSAVG: 4735800 51.103 3.31246 20.2156 0.693065 8.19571 54.09 16.8673 56.7606 -46.83 TIMING: 4735800 CPU: 14058, 0.00291904/step Wall: 14058, 0.00291904/step, 0.214225 hours remaining, 210.023438 MB of memory in use. ENERGY: 4735800 734.1788 2071.4853 1932.6179 127.1198 -205756.9871 17396.1150 0.0000 0.0000 34155.3967 -149340.0735 298.2876 -183495.4702 -149249.4967 298.6498 -293.3223 -263.3920 558681.2228 4.1357 4.1563 PRESSURE: 4736000 226.033 -131.771 -61.4191 -131.772 51.8578 -36.3157 -61.419 -36.3144 28.8033 GPRESSURE: 4736000 276.029 -72.0959 -52.7254 -124.692 84.3562 20.9788 13.8001 -119.468 48.6035 PRESSAVG: 4736000 41.9394 21.9649 52.0546 21.9649 -1.77695 -4.3729 52.0544 -4.37306 -49.688 GPRESSAVG: 4736000 41.8818 23.4294 50.7488 23.2804 -2.90107 -5.02727 53.598 -4.71233 -48.0199 TIMING: 4736000 CPU: 14058.6, 0.00293628/step Wall: 14058.6, 0.00293628/step, 0.215327 hours remaining, 210.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4736000 721.6571 2022.8151 1919.1201 102.4908 -206392.4794 17905.0785 0.0000 0.0000 34202.7837 -149518.5340 298.7014 -183721.3177 -149415.0778 298.5566 102.2313 136.3294 556815.0732 -3.1752 -3.0131 PRESSURE: 4736200 -47.3423 -34.4605 4.35571 -34.4606 -569.133 -82.2455 4.357 -82.2451 -426.217 GPRESSURE: 4736200 -67.2721 -6.77413 59.7959 -51.5644 -485.671 -53.1868 -51.2299 -216.468 -380.367 PRESSAVG: 4736200 98.2767 20.2123 -14.3546 20.2123 -5.78869 -47.7876 -14.3546 -47.7875 -82.5545 GPRESSAVG: 4736200 99.1278 20.8871 -14.436 21.0392 -5.74426 -47.3524 -15.5081 -46.9922 -82.4368 TIMING: 4736200 CPU: 14059.1, 0.00293323/step Wall: 14059.1, 0.00293323/step, 0.214941 hours remaining, 210.023438 MB of memory in use. ENERGY: 4736200 757.6758 2090.6485 1949.9568 117.3695 -205864.6373 17379.2295 0.0000 0.0000 34260.6948 -149309.0624 299.2072 -183569.7572 -149202.6196 298.3215 -347.5643 -311.1031 558324.7231 3.3112 3.6489 LDB: ============= START OF LOAD BALANCING ============== 14062.7 LDB: ============== END OF LOAD BALANCING =============== 14062.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14062.7 LDB: ============= START OF LOAD BALANCING ============== 14063 LDB: Largest compute 4801 load 0.020246 is 17.1% of average load 0.118199 LDB: Average compute 0.001732 is 1.5% of average load 0.118199 LDB: TIME 14063 LOAD: AVG 0.118199 MAX 0.196796 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.738 MB LDB: TIME 14063 LOAD: AVG 0.118199 MAX 0.196796 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: TIME 14063 LOAD: AVG 0.118199 MAX 0.196796 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: ============== END OF LOAD BALANCING =============== 14063 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14063 PRESSURE: 4736400 10.6093 5.28754 -135.223 5.28602 51.0768 1.76328 -135.223 1.76429 -203.052 GPRESSURE: 4736400 43.1993 -110.952 -144.098 87.6916 66.9032 -60.3541 -137.514 -8.63716 -153.164 PRESSAVG: 4736400 28.4601 -2.71331 -74.7458 -2.71326 -41.5769 -14.4508 -74.7458 -14.4507 -4.34681 GPRESSAVG: 4736400 28.0446 -3.85945 -74.2912 -1.32623 -40.8919 -14.5034 -74.877 -17.6391 -5.05596 TIMING: 4736400 CPU: 14059.7, 0.00298741/step Wall: 14059.7, 0.00298741/step, 0.218745 hours remaining, 209.320312 MB of memory in use. ENERGY: 4736400 727.9906 2061.3534 1917.9508 113.3324 -206156.5463 17669.0092 0.0000 0.0000 34418.9646 -149247.9452 300.5894 -183666.9098 -149151.2189 299.1604 -47.1221 -14.3539 556513.1956 -5.8212 -5.9678 PRESSURE: 4736600 -166.726 -97.6609 122.296 -97.661 -67.5941 129.513 122.295 129.514 -343.732 GPRESSURE: 4736600 -186.492 -26.6248 109.048 -72.6796 -24.2714 210.782 81.4009 19.8329 -267.172 PRESSAVG: 4736600 75.3148 22.2648 34.6608 22.2648 -52.8019 19.0429 34.6608 19.0429 -1.37457 GPRESSAVG: 4736600 75.7992 23.1548 35.2662 23.1246 -53.5666 19.47 34.8904 19.9549 -0.849472 TIMING: 4736600 CPU: 14060.3, 0.00294185/step Wall: 14060.3, 0.00294185/step, 0.215246 hours remaining, 209.390625 MB of memory in use. ENERGY: 4736600 776.2383 2099.2411 1931.1054 110.5163 -206132.3508 17595.6668 0.0000 0.0000 34167.5650 -149452.0179 298.3938 -183619.5829 -149359.5539 299.2064 -192.6840 -159.3118 557974.7415 7.0461 7.1277 PRESSURE: 4736800 10.2378 1.31781 203.827 1.31877 234.883 103.032 203.828 103.032 3.61699 GPRESSURE: 4736800 41.3424 22.7116 125.241 11.335 257.227 145.833 238.352 52.3207 40.5658 PRESSAVG: 4736800 -1.58819 -20.2471 -41.666 -20.247 6.09398 2.18665 -41.6659 2.18663 10.4803 GPRESSAVG: 4736800 -2.075 -19.1979 -40.3921 -23.1626 7.85507 -0.102664 -42.3932 2.96975 8.64792 TIMING: 4736800 CPU: 14060.9, 0.00293178/step Wall: 14060.9, 0.00293178/step, 0.214345 hours remaining, 209.390625 MB of memory in use. ENERGY: 4736800 765.9692 2045.0593 1928.9766 118.4823 -206546.4810 18028.2488 0.0000 0.0000 34263.1806 -149396.5643 299.2289 -183659.7448 -149302.9283 299.2622 82.9127 113.0452 557589.3750 4.9954 4.8093 PRESSURE: 4737000 -268.256 -142.308 -38.8812 -142.308 -213.352 30.7049 -38.88 30.7067 -117.706 GPRESSURE: 4737000 -183.723 -92.0337 12.5407 -143.389 -205.708 51.0199 -57.5693 9.92971 -103.991 PRESSAVG: 4737000 -45.535 -31.2444 63.5607 -31.2443 5.11857 63.8093 63.5606 63.8094 13.3665 GPRESSAVG: 4737000 -46.2032 -31.5925 62.1467 -31.1931 3.98524 66.4484 65.5849 61.2263 14.9693 TIMING: 4737000 CPU: 14061.5, 0.00293676/step Wall: 14061.5, 0.00293676/step, 0.214546 hours remaining, 209.390625 MB of memory in use. ENERGY: 4737000 769.7529 2081.6275 1930.8287 109.6947 -206242.9411 17839.3254 0.0000 0.0000 34163.7575 -149347.9545 298.3606 -183511.7119 -149250.3787 298.4466 -199.7712 -164.4739 558925.1835 -9.0166 -9.0829 PRESSURE: 4737200 -23.2813 24.5217 -80.4736 24.522 -259.337 -57.62 -80.474 -57.6203 -172.542 GPRESSURE: 4737200 -12.6404 62.2162 -94.0506 -60.4935 -255.128 -127.755 -118.654 4.4317 -107.543 PRESSAVG: 4737200 38.0702 -36.6138 60.5852 -36.6138 -67.4857 35.962 60.5852 35.9619 39.824 GPRESSAVG: 4737200 37.1607 -39.4794 60.1539 -35.5082 -66.6683 35.4533 60.4256 38.4302 39.5892 TIMING: 4737200 CPU: 14062.1, 0.00294177/step Wall: 14062.1, 0.00294177/step, 0.214749 hours remaining, 209.390625 MB of memory in use. ENERGY: 4737200 769.2398 2116.8823 1918.4275 122.3408 -206052.0913 17660.5563 0.0000 0.0000 34164.6279 -149300.0167 298.3682 -183464.6446 -149201.2873 298.6923 -151.7201 -125.1039 558700.4418 3.4695 3.3606 PRESSURE: 4737400 100.843 -173.033 -249.401 -173.034 112.696 176.201 -249.4 176.199 213.44 GPRESSURE: 4737400 113.863 -173.844 -198.67 -255.645 182.87 139.412 -265.668 154.665 235.161 PRESSAVG: 4737400 9.76317 -25.218 -15.9207 -25.2181 2.75977 0.939123 -15.9207 0.9392 -16.8053 GPRESSAVG: 4737400 10.4047 -23.8638 -15.3143 -25.6611 3.1652 1.73727 -16.6464 -0.90944 -17.5732 TIMING: 4737400 CPU: 14062.7, 0.00291607/step Wall: 14062.7, 0.00291607/step, 0.212711 hours remaining, 209.390625 MB of memory in use. ENERGY: 4737400 729.0143 2075.5635 1898.2489 109.1315 -206119.5768 17906.4954 0.0000 0.0000 34142.0729 -149259.0502 298.1712 -183401.1231 -149156.9884 299.5550 142.3264 177.2981 557028.6882 -1.4274 -1.3345 PRESSURE: 4737600 -146.774 -50.6056 68.247 -50.6058 -127.747 -13.7185 68.2467 -13.7194 -216.514 GPRESSURE: 4737600 -95.2434 20.4321 94.2187 -46.985 -108.826 -50.5034 85.8472 46.3678 -191.575 PRESSAVG: 4737600 -29.9644 -29.4112 1.84424 -29.4113 -9.58151 63.5525 1.84434 63.5525 -16.8708 GPRESSAVG: 4737600 -28.7086 -28.7656 2.83078 -30.3345 -11.2248 61.9757 1.00594 67.1012 -17.0284 TIMING: 4737600 CPU: 14063.3, 0.00292237/step Wall: 14063.3, 0.00292237/step, 0.213008 hours remaining, 209.390625 MB of memory in use. ENERGY: 4737600 765.2992 2112.3131 1927.1870 105.4497 -206144.5688 17692.0303 0.0000 0.0000 34525.8044 -149016.4851 301.5224 -183542.2895 -148909.5592 299.6488 -163.6784 -131.8812 558504.4662 -18.8056 -18.9873 PRESSURE: 4737800 -254.938 -90.0069 -45.9416 -90.0057 -536.295 -4.37376 -45.9411 -4.3754 -46.7867 GPRESSURE: 4737800 -236.726 -159.675 -63.2373 -91.3156 -458.419 42.8302 -22.6287 -75.5975 -37.9335 PRESSAVG: 4737800 -22.5021 -28.7102 -29.4562 -28.7101 31.8699 0.0503412 -29.4561 0.0502721 -6.50514 GPRESSAVG: 4737800 -23.0794 -28.9644 -29.5143 -29.7411 32.5461 0.905684 -28.2575 -2.54558 -6.20119 TIMING: 4737800 CPU: 14063.8, 0.00294898/step Wall: 14063.8, 0.00294898/step, 0.214784 hours remaining, 209.390625 MB of memory in use. ENERGY: 4737800 722.3517 2086.7556 1918.6922 113.6686 -205717.4020 17513.0557 0.0000 0.0000 34165.2223 -149197.6560 298.3734 -183362.8783 -149095.7164 299.8818 -279.3398 -244.3594 558398.8385 0.9542 1.0885 PRESSURE: 4738000 -219.391 0.0167679 -38.1834 0.018537 -253.097 -32.0166 -38.1841 -32.0175 -18.3457 GPRESSURE: 4738000 -189.651 60.552 2.86906 5.54296 -188.667 -0.175048 -15.9524 -33.0918 -9.56671 PRESSAVG: 4738000 59.7263 -44.0429 35.2338 -44.0429 -67.5032 -29.8569 35.234 -29.8569 39.6895 GPRESSAVG: 4738000 60.0801 -43.3476 34.3998 -42.5333 -67.4805 -30.6997 34.104 -28.9401 39.5349 TIMING: 4738000 CPU: 14064.4, 0.00294608/step Wall: 14064.4, 0.00294608/step, 0.214409 hours remaining, 209.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4738000 716.3775 2110.8375 1925.6607 116.1909 -205712.4355 17464.3529 0.0000 0.0000 34353.8818 -149025.1342 300.0210 -183379.0159 -148927.2811 299.5846 -163.6115 -129.2950 558045.1819 10.6376 10.7115 PRESSURE: 4738200 -46.5882 107.984 -47.0418 107.983 -292.874 -89.489 -47.0415 -89.4893 -43.6092 GPRESSURE: 4738200 9.89867 27.8291 -85.1525 161.388 -246.287 -103.68 -83.7828 -156.375 -36.0113 PRESSAVG: 4738200 10.328 12.5372 -9.98239 12.5371 -20.6542 -22.4765 -9.98242 -22.4764 -6.95046 GPRESSAVG: 4738200 10.3839 11.9945 -10.093 12.102 -19.7202 -23.1444 -10.5146 -22.5346 -8.43915 TIMING: 4738200 CPU: 14065, 0.00294485/step Wall: 14065, 0.00294485/step, 0.214156 hours remaining, 209.390625 MB of memory in use. ENERGY: 4738200 786.4291 2191.7415 1940.1386 116.1737 -205746.2666 17569.5097 0.0000 0.0000 34150.3394 -148991.9346 298.2434 -183142.2740 -148904.6640 299.9344 -127.6904 -90.7998 557756.4286 -5.7589 -5.9251 PRESSURE: 4738400 -179.285 77.9014 -57.4746 77.9007 -115.462 -83.6546 -57.473 -83.6534 -38.5054 GPRESSURE: 4738400 -161.936 114.308 -33.0838 17.8686 -119.701 -85.9516 -52.1693 -75.1362 48.5279 PRESSAVG: 4738400 -2.83768 29.153 -20.7824 29.1529 -58.9488 -47.8419 -20.7824 -47.842 86.7869 GPRESSAVG: 4738400 -3.81714 27.873 -21.8752 30.8375 -59.6046 -46.3235 -19.418 -46.5174 87.8409 TIMING: 4738400 CPU: 14065.6, 0.00294518/step Wall: 14065.6, 0.00294518/step, 0.214016 hours remaining, 209.390625 MB of memory in use. ENERGY: 4738400 760.1158 2098.5088 1912.8284 110.6939 -205749.8920 17602.4813 0.0000 0.0000 34234.0703 -149031.1935 298.9747 -183265.2638 -148935.6181 299.7340 -111.0843 -77.7033 557877.9164 8.3335 8.1397 PRESSURE: 4738600 -267.199 121.937 3.59162 121.938 58.7001 45.9636 3.59108 45.9634 -151.999 GPRESSURE: 4738600 -198.226 139.656 -20.7018 89.7438 90.8223 49.0135 -42.4105 -52.4371 -157.642 PRESSAVG: 4738600 22.8002 54.3799 -82.5352 54.3799 12.9602 -10.5979 -82.5352 -10.598 -6.23264 GPRESSAVG: 4738600 23.4411 57.1258 -82.4844 53.3511 12.4107 -9.25237 -82.927 -10.5416 -7.15434 TIMING: 4738600 CPU: 14066.2, 0.00295066/step Wall: 14066.2, 0.00295066/step, 0.214251 hours remaining, 209.390625 MB of memory in use. ENERGY: 4738600 790.1151 2104.1923 1930.4382 112.5547 -206226.5430 17732.4615 0.0000 0.0000 34543.8875 -149012.8937 301.6804 -183556.7812 -148915.7591 300.2007 -120.1656 -88.3485 558507.0099 9.8426 9.5658 PRESSURE: 4738800 -34.4685 -46.7269 115.339 -46.7263 -190.46 37.5113 115.34 37.5119 74.5153 GPRESSURE: 4738800 23.9757 -9.77788 59.9668 -47.0183 -190.445 -6.98398 147.532 181.151 111.254 PRESSAVG: 4738800 -15.543 2.55561 3.55827 2.5556 16.7523 45.6009 3.55826 45.601 -6.45584 GPRESSAVG: 4738800 -15.5613 -0.0377341 2.44269 2.56248 16.9251 43.4973 5.02826 47.1432 -6.28178 TIMING: 4738800 CPU: 14066.8, 0.00290238/step Wall: 14066.8, 0.00290238/step, 0.210584 hours remaining, 209.390625 MB of memory in use. ENERGY: 4738800 740.7382 2098.9441 1950.3594 118.4869 -206181.3274 17672.6526 0.0000 0.0000 34309.6456 -149290.5006 299.6347 -183600.1462 -149190.3157 299.9853 -50.1377 -18.4050 557458.0418 -1.7488 -1.6393 PRESSURE: 4739000 -0.0417918 96.3075 -73.9462 96.3064 -78.6987 81.5859 -73.9456 81.5866 -205.117 GPRESSURE: 4739000 72.444 149.243 -41.5436 68.2273 -22.8817 32.6695 -32.235 158.475 -234.831 PRESSAVG: 4739000 22.1567 5.2078 13.8422 5.20778 40.7932 25.1046 13.8422 25.1046 -27.7291 GPRESSAVG: 4739000 22.7127 4.48104 16.7351 6.6329 40.8868 25.9906 12.2466 20.1506 -28.4594 TIMING: 4739000 CPU: 14067.4, 0.00293298/step Wall: 14067.4, 0.00293298/step, 0.212641 hours remaining, 209.390625 MB of memory in use. ENERGY: 4739000 756.5257 2103.8133 1910.1471 117.4040 -206252.4858 17714.8723 0.0000 0.0000 34388.6179 -149261.1055 300.3244 -183649.7234 -149169.0485 299.5462 -94.6192 -61.7562 557739.8106 11.7403 11.7134 PRESSURE: 4739200 168.193 159.092 27.5968 159.092 169.281 -153.276 27.5953 -153.277 -109.222 GPRESSURE: 4739200 188.96 65.038 84.3972 178.547 195.409 -202.187 95.8583 -122.765 -57.1641 PRESSAVG: 4739200 -5.10781 41.4313 44.2977 41.4312 -2.34662 -27.2645 44.2976 -27.2645 -25.6076 GPRESSAVG: 4739200 -6.33464 41.5923 43.2185 41.1085 -2.67564 -28.5099 46.0635 -24.8259 -24.316 TIMING: 4739200 CPU: 14068, 0.00291486/step Wall: 14068, 0.00291486/step, 0.211165 hours remaining, 209.390625 MB of memory in use. ENERGY: 4739200 748.0439 2082.6548 1925.6425 110.2269 -206399.2383 17951.3330 0.0000 0.0000 34253.5267 -149327.8103 299.1446 -183581.3371 -149228.7074 298.8991 76.0837 109.0683 558335.0392 -11.0207 -11.1088 PRESSURE: 4739400 80.2114 -89.0288 -9.14629 -89.0286 -180.402 61.1289 -9.14545 61.1288 -257.228 GPRESSURE: 4739400 171.304 -27.8758 -32.0333 -79.577 -158.625 32.1955 93.0094 53.1564 -269.489 PRESSAVG: 4739400 -48.9269 6.2993 -12.8343 6.29928 47.0585 -39.1751 -12.8344 -39.1751 6.34533 GPRESSAVG: 4739400 -48.7339 8.32343 -11.7235 5.86803 47.2791 -38.9821 -14.3943 -38.2341 5.91786 TIMING: 4739400 CPU: 14068.5, 0.00293642/step Wall: 14068.5, 0.00293642/step, 0.212564 hours remaining, 209.390625 MB of memory in use. ENERGY: 4739400 734.3210 2160.5532 1930.6566 121.3751 -205981.8170 17643.7209 0.0000 0.0000 34099.5367 -149291.6535 297.7997 -183391.1902 -149195.3145 299.1396 -119.1395 -85.6032 556520.2290 1.4923 1.4877 PRESSURE: 4739600 -16.3294 -194.636 -86.4332 -194.637 -174.16 -299.514 -86.4332 -299.514 -191.607 GPRESSURE: 4739600 25.6487 -107.692 -96.3504 -183.881 -139.629 -368.13 -128.113 -277.822 -191.359 PRESSAVG: 4739600 36.7362 23.4711 -32.6369 23.471 -23.0824 -6.66387 -32.6369 -6.66395 -15.0158 GPRESSAVG: 4739600 37.3868 22.8992 -33.2693 24.8979 -23.7288 -6.59042 -33.6117 -6.91493 -14.9693 TIMING: 4739600 CPU: 14069.1, 0.00294592/step Wall: 14069.1, 0.00294592/step, 0.213088 hours remaining, 209.390625 MB of memory in use. ENERGY: 4739600 768.1458 2117.9437 1931.4140 124.9226 -206010.4074 17784.4330 0.0000 0.0000 34193.2712 -149090.2770 298.6183 -183283.5482 -149002.3083 299.4375 -127.3654 -101.7798 558548.1332 -0.4540 -0.4371 PRESSURE: 4739800 38.5838 70.5509 137.799 70.552 130.405 -46.7799 137.798 -46.7802 275.911 GPRESSURE: 4739800 88.6955 5.04796 167.663 133.472 177.795 -129.629 98.2394 55.631 280.772 PRESSAVG: 4739800 -73.2543 -12.0674 -42.9874 -12.0673 30.8547 -78.7069 -42.9874 -78.7069 -6.69127 GPRESSAVG: 4739800 -73.8939 -10.8729 -41.1852 -12.1083 31.9786 -77.9298 -41.5678 -78.599 -7.00352 TIMING: 4739800 CPU: 14069.7, 0.00295188/step Wall: 14069.7, 0.00295188/step, 0.213355 hours remaining, 209.390625 MB of memory in use. ENERGY: 4739800 745.3323 2089.8643 1919.5557 115.1336 -206404.6036 17974.8088 0.0000 0.0000 34392.1968 -149167.7121 300.3556 -183559.9089 -149075.0508 299.8740 148.3001 182.4207 555509.3909 -16.3636 -16.3063 PRESSURE: 4740000 -79.1258 97.5048 -25.1734 97.5057 -94.0189 -192.587 -25.1753 -192.588 -306.746 GPRESSURE: 4740000 -89.7341 38.5629 -45.0925 159.101 4.22796 -213.887 -79.5436 -130.294 -301.397 PRESSAVG: 4740000 -81.5771 -24.3164 4.92548 -24.3164 9.88071 -60.4221 4.92541 -60.4221 27.3414 GPRESSAVG: 4740000 -81.1563 -25.3875 3.96678 -25.7468 9.80027 -61.4004 4.20647 -59.9604 26.8857 TIMING: 4740000 CPU: 14070.3, 0.00296338/step Wall: 14070.3, 0.00296338/step, 0.214022 hours remaining, 209.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4740000 741.0012 2075.3139 1938.3413 114.8995 -205948.4575 17402.0692 0.0000 0.0000 34515.6810 -149161.1513 301.4340 -183676.8323 -149062.5067 299.5337 -159.9636 -128.9678 557222.8843 -14.7850 -14.8235 PRESSURE: 4740200 87.4377 -72.9792 22.9176 -72.9803 -16.0598 -33.9632 22.9173 -33.9628 64.1426 GPRESSURE: 4740200 166.265 -88.8252 43.6506 -26.7843 50.3363 -9.00096 13.1943 -4.48585 19.6261 PRESSAVG: 4740200 -79.232 14.2436 41.3528 14.2435 42.179 -38.9368 41.3527 -38.937 80.4878 GPRESSAVG: 4740200 -79.6845 13.5673 42.399 13.3049 41.3723 -39.0131 38.5534 -40.5283 81.9434 TIMING: 4740200 CPU: 14070.9, 0.00294964/step Wall: 14070.9, 0.00294964/step, 0.212866 hours remaining, 209.390625 MB of memory in use. ENERGY: 4740200 781.0549 2153.4934 1917.8500 110.1160 -206492.2958 18033.5931 0.0000 0.0000 34388.1567 -149108.0317 300.3203 -183496.1884 -149017.1023 300.5044 45.1735 78.7424 555736.5195 14.4783 14.5438 LDB: ============= START OF LOAD BALANCING ============== 14074.5 LDB: ============== END OF LOAD BALANCING =============== 14074.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14074.5 LDB: ============= START OF LOAD BALANCING ============== 14074.7 LDB: Largest compute 4801 load 0.021037 is 17.8% of average load 0.118249 LDB: Average compute 0.001740 is 1.5% of average load 0.118249 LDB: TIME 14074.8 LOAD: AVG 0.118249 MAX 0.198171 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.613 MB LDB: TIME 14074.8 LOAD: AVG 0.118249 MAX 0.198171 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.613 MB LDB: TIME 14074.8 LOAD: AVG 0.118249 MAX 0.198171 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14074.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14074.8 PRESSURE: 4740400 -292.501 -74.7117 56.6511 -74.7117 -193.279 -28.9629 56.6502 -28.9617 -136.978 GPRESSURE: 4740400 -267.472 -111.886 93.1478 -121.556 -114.841 -38.5742 37.4349 -30.8809 -146.904 PRESSAVG: 4740400 46.0886 1.68826 68.0912 1.68822 55.057 -52.3553 68.0911 -52.3553 -107.997 GPRESSAVG: 4740400 45.3728 3.12499 67.3216 1.16112 55.3217 -51.3098 71.3252 -51.6636 -107.651 TIMING: 4740400 CPU: 14071.5, 0.00301057/step Wall: 14071.5, 0.00301057/step, 0.217095 hours remaining, 208.410156 MB of memory in use. ENERGY: 4740400 722.7120 2102.7616 1916.3178 113.5325 -205525.6875 17355.3158 0.0000 0.0000 34255.0040 -149060.0438 299.1575 -183315.0478 -148959.5882 300.2899 -207.5861 -176.4054 558566.1631 -2.2838 -2.3187 PRESSURE: 4740600 -178.946 87.7416 -0.570161 87.7432 -83.992 -23.6867 -0.570451 -23.6858 -21.2797 GPRESSURE: 4740600 -214.536 108.8 -8.53393 89.4368 -29.9107 -59.8436 -64.5931 9.85449 46.5672 PRESSAVG: 4740600 -76.4188 6.67168 36.456 6.67175 61.856 -24.8306 36.4559 -24.8305 56.1424 GPRESSAVG: 4740600 -75.6705 4.46284 36.0066 8.88725 62.407 -25.2227 35.9831 -23.6927 54.8177 TIMING: 4740600 CPU: 14072.1, 0.00294179/step Wall: 14072.1, 0.00294179/step, 0.211972 hours remaining, 208.410156 MB of memory in use. ENERGY: 4740600 765.6850 2139.5719 1918.3783 114.2007 -205899.7017 17730.1733 0.0000 0.0000 34398.3100 -148833.3826 300.4090 -183231.6926 -148736.1912 300.7595 -94.7391 -65.9597 557891.6870 13.8599 13.8514 PRESSURE: 4740800 -61.0791 42.5809 177.639 42.581 124.051 28.2621 177.639 28.2637 -52.8382 GPRESSURE: 4740800 -27.6488 95.8803 174.578 -36.0085 135.912 -16.1177 161.123 17.4757 0.958626 PRESSAVG: 4740800 18.1548 -28.6292 -3.11082 -28.6291 -15.2949 -23.3082 -3.11087 -23.3081 -5.936 GPRESSAVG: 4740800 17.1088 -27.2593 -2.56609 -28.2615 -15.3304 -21.8901 -5.10645 -23.5872 -4.81737 TIMING: 4740800 CPU: 14072.7, 0.00292807/step Wall: 14072.7, 0.00292807/step, 0.210821 hours remaining, 208.410156 MB of memory in use. ENERGY: 4740800 771.8380 2123.4104 1927.7182 118.9647 -206241.3802 17984.3648 0.0000 0.0000 34331.9337 -148983.1504 299.8293 -183315.0841 -148888.2069 300.3858 3.3778 36.4073 557812.9247 -1.0254 -1.0130 PRESSURE: 4741000 131.161 129.287 58.8628 129.285 9.43017 -118.696 58.8636 -118.697 -5.70133 GPRESSURE: 4741000 157.582 129.605 130.128 49.4868 36.3962 -89.8555 92.8406 -166.174 47.2482 PRESSAVG: 4741000 31.6145 18.393 -42.0251 18.393 50.4911 -0.53348 -42.0252 -0.533404 -57.3647 GPRESSAVG: 4741000 31.692 16.9237 -41.0353 17.5109 49.4359 -1.31394 -40.1149 -1.54131 -56.8525 TIMING: 4741000 CPU: 14073.3, 0.00294342/step Wall: 14073.3, 0.00294342/step, 0.211763 hours remaining, 208.410156 MB of memory in use. ENERGY: 4741000 764.5010 2139.6062 1931.3217 107.7654 -206476.8641 18033.4014 0.0000 0.0000 34302.7569 -149197.5114 299.5745 -183500.2683 -149101.9340 299.9323 44.9631 80.4089 557040.8980 8.2470 8.0918 PRESSURE: 4741200 -10.9848 47.6566 -23.2435 47.6546 -26.7094 -65.682 -23.2433 -65.6834 -85.0322 GPRESSURE: 4741200 -0.292547 152.409 -67.4576 40.9599 -9.26916 -10.702 14.5201 -118.498 -7.71563 PRESSAVG: 4741200 -25.7324 42.3594 -22.6504 42.3594 36.7629 33.7165 -22.6504 33.7163 -30.0587 GPRESSAVG: 4741200 -25.5303 45.5704 -24.7162 39.1233 37.0188 31.5407 -20.7971 34.97 -30.631 TIMING: 4741200 CPU: 14073.9, 0.00294134/step Wall: 14073.9, 0.00294134/step, 0.21145 hours remaining, 208.410156 MB of memory in use. ENERGY: 4741200 727.3613 2108.1641 1902.8516 105.1899 -206248.4073 17747.1295 0.0000 0.0000 34331.2500 -149326.4609 299.8233 -183657.7109 -149226.5127 299.6014 -40.9088 -5.7591 557561.6503 -6.3427 -6.3808 PRESSURE: 4741400 -2.6382 15.0939 -114.768 15.092 -427.452 87.9034 -114.769 87.9053 -151.742 GPRESSURE: 4741400 63.742 -8.44742 -63.7386 38.5985 -389.942 87.5081 -142.799 60.0762 -161.226 PRESSAVG: 4741400 -10.6887 -5.72999 -2.09762 -5.73009 14.11 2.23689 -2.09768 2.23699 -38.988 GPRESSAVG: 4741400 -9.17648 -7.03905 -0.314533 -2.1982 13.8948 2.6716 -5.39065 2.39452 -40.4244 TIMING: 4741400 CPU: 14074.4, 0.00295392/step Wall: 14074.4, 0.00295392/step, 0.21219 hours remaining, 208.410156 MB of memory in use. ENERGY: 4741400 756.6103 2082.3529 1897.7066 115.8669 -206165.9638 17559.9674 0.0000 0.0000 34387.0900 -149366.3697 300.3110 -183753.4597 -149272.9931 298.9479 -193.9440 -162.4753 557042.8965 -11.8556 -11.9020 PRESSURE: 4741600 57.4408 122.324 65.182 122.325 9.24828 32.8529 65.1825 32.8524 -111.841 GPRESSURE: 4741600 62.5035 148.947 115.99 151.405 67.8668 50.1054 83.4564 28.4179 -92.5497 PRESSAVG: 4741600 55.2777 28.8543 2.19818 28.8544 -64.0875 5.18603 2.1982 5.18604 -73.064 GPRESSAVG: 4741600 53.3107 28.9434 3.00986 28.0513 -62.9624 6.44283 1.24627 4.23058 -73.2398 TIMING: 4741600 CPU: 14075, 0.00295377/step Wall: 14075, 0.00295377/step, 0.212015 hours remaining, 208.410156 MB of memory in use. ENERGY: 4741600 746.8069 2059.2356 1906.8032 106.4147 -206318.1691 17875.8389 0.0000 0.0000 34204.4606 -149418.6091 298.7161 -183623.0697 -149328.3892 298.4776 -15.0507 12.6068 557289.3062 -27.2913 -27.6305 PRESSURE: 4741800 -126.497 79.1316 -149.759 79.1313 -97.8894 17.5034 -149.759 17.5031 -249.477 GPRESSURE: 4741800 -157.932 96.6266 -185.346 119.191 -55.5909 -67.5786 -64.9897 53.2485 -166.711 PRESSAVG: 4741800 22.8676 26.5055 9.04123 26.5055 32.6516 10.1258 9.04137 10.1258 -48.8345 GPRESSAVG: 4741800 23.7718 24.8895 8.96483 28.2764 31.5707 8.93736 11.2484 10.8731 -48.361 TIMING: 4741800 CPU: 14075.6, 0.00295145/step Wall: 14075.6, 0.00295145/step, 0.211685 hours remaining, 208.410156 MB of memory in use. ENERGY: 4741800 730.5913 2054.9335 1926.6992 116.9885 -206040.1704 17653.3602 0.0000 0.0000 34177.3774 -149380.2203 298.4795 -183557.5977 -149284.2754 298.3191 -157.9545 -126.7446 559057.1837 2.2283 2.3272 PRESSURE: 4742000 272.422 -13.8754 32.5953 -13.8755 336.31 -264.349 32.5955 -264.348 435.777 GPRESSURE: 4742000 292.697 24.5659 2.41957 44.6771 360.557 -220.131 35.8421 -335.285 482.328 PRESSAVG: 4742000 25.9271 47.6337 51.7221 47.6336 -42.1638 -43.9016 51.7221 -43.9016 -3.07403 GPRESSAVG: 4742000 26.0736 47.7961 50.4192 46.1739 -42.1792 -43.0482 49.4599 -46.248 -3.86384 TIMING: 4742000 CPU: 14076.2, 0.00295025/step Wall: 14076.2, 0.00295025/step, 0.211435 hours remaining, 208.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4742000 716.3789 2149.7301 1911.6208 103.0811 -206860.3148 18324.4498 0.0000 0.0000 34500.3773 -149154.6767 301.3004 -183655.0540 -149062.1481 299.1814 348.1697 378.5272 555800.8928 -6.4369 -6.6565 PRESSURE: 4742200 189.199 113.634 249.945 113.634 -31.1633 41.1092 249.947 41.1085 1.69594 GPRESSURE: 4742200 140.816 136.608 216.734 37.0756 76.437 59.0169 254.427 80.1104 48.8199 PRESSAVG: 4742200 4.0336 40.8954 61.5043 40.8953 9.16647 -5.04878 61.5044 -5.04884 -16.2999 GPRESSAVG: 4742200 3.65346 39.9463 59.5877 40.4671 8.50415 -4.41081 63.9437 -3.94002 -15.2378 TIMING: 4742200 CPU: 14076.8, 0.00296893/step Wall: 14076.8, 0.00296893/step, 0.212609 hours remaining, 208.410156 MB of memory in use. ENERGY: 4742200 734.5477 2060.2941 1917.5860 124.6754 -206272.6992 17924.8813 0.0000 0.0000 34332.1372 -149178.5775 299.8311 -183510.7147 -149073.1544 299.7047 53.2440 88.6910 555615.8842 -1.0333 -1.0267 PRESSURE: 4742400 -52.8653 5.29901 -88.9487 5.29993 -79.0582 148.85 -88.9499 148.85 163.793 GPRESSURE: 4742400 49.7288 -5.21918 -39.7779 4.77352 -90.5348 60.5353 -139.802 212.921 167.383 PRESSAVG: 4742400 -33.5692 13.0341 -10.0059 13.0341 30.1867 -14.7091 -10.0059 -14.7091 -40.8504 GPRESSAVG: 4742400 -34.016 17.2936 -7.89176 11.3485 30.4665 -14.6048 -9.55044 -15.5766 -40.9783 TIMING: 4742400 CPU: 14077.4, 0.00294775/step Wall: 14077.4, 0.00294775/step, 0.210928 hours remaining, 208.410156 MB of memory in use. ENERGY: 4742400 737.0670 2121.2556 1890.3540 118.5039 -206142.2148 17776.7717 0.0000 0.0000 34255.2936 -149242.9690 299.1600 -183498.2626 -149135.7505 299.2112 10.6233 42.1925 557195.5127 -14.7443 -14.8426 PRESSURE: 4742600 -193.468 -65.5569 -78.1289 -65.5562 -258.488 73.8164 -78.128 73.8177 -91.9279 GPRESSURE: 4742600 -111.615 70.1018 -69.8838 17.0454 -213.963 46.4249 -131.198 130.429 -115.347 PRESSAVG: 4742600 -2.083 -0.641456 -17.3084 -0.641368 -53.0789 -7.71095 -17.3085 -7.71091 55.6691 GPRESSAVG: 4742600 -1.30445 -4.07199 -18.3608 0.228478 -54.2395 -8.70347 -18.1021 -6.08586 56.0539 TIMING: 4742600 CPU: 14078, 0.00293576/step Wall: 14078, 0.00293576/step, 0.209907 hours remaining, 208.410156 MB of memory in use. ENERGY: 4742600 704.4948 2112.1883 1926.3786 112.9542 -205994.5897 17420.4893 0.0000 0.0000 34382.5403 -149335.5441 300.2713 -183718.0844 -149240.6535 299.6805 -181.2949 -146.9750 557649.2924 0.1691 0.1700 PRESSURE: 4742800 -96.0331 -103.509 50.6234 -103.51 84.2741 -83.8741 50.6236 -83.8738 273.757 GPRESSURE: 4742800 -40.6371 -117.086 100.029 -4.61046 101.072 -159.721 64.7943 78.6379 289.872 PRESSAVG: 4742800 -29.9834 -49.9713 -10.5737 -49.9713 -39.7886 9.09522 -10.5738 9.09519 39.8708 GPRESSAVG: 4742800 -30.0405 -49.8389 -10.8601 -48.9351 -40.1145 8.53969 -9.01719 8.94254 40.0527 TIMING: 4742800 CPU: 14078.6, 0.00293986/step Wall: 14078.6, 0.00293986/step, 0.210037 hours remaining, 208.410156 MB of memory in use. ENERGY: 4742800 723.6914 2053.5749 1914.6908 120.8702 -206169.7575 17936.1809 0.0000 0.0000 34089.2039 -149331.5453 297.7095 -183420.7492 -149232.6737 299.0980 87.3327 116.7690 556837.8811 -9.9671 -10.0341 PRESSURE: 4743000 76.4861 61.0913 -37.0861 61.0907 298.247 -25.0585 -37.0859 -25.0589 152.061 GPRESSURE: 4743000 171.208 8.24563 16.1525 78.4376 277.098 -62.001 -82.1201 32.9982 179.647 PRESSAVG: 4743000 40.3092 -11.0555 44.9462 -11.0555 -20.6277 -38.7296 44.9461 -38.7296 -0.833368 GPRESSAVG: 4743000 39.4422 -9.29157 44.0903 -11.3276 -18.8808 -35.5688 44.1145 -41.0063 -2.06094 TIMING: 4743000 CPU: 14079.2, 0.0029297/step Wall: 14079.2, 0.0029297/step, 0.209148 hours remaining, 208.410156 MB of memory in use. ENERGY: 4743000 695.8784 2089.4527 1923.4465 108.6485 -206610.7488 18045.5355 0.0000 0.0000 34471.7066 -149276.0806 301.0500 -183747.7872 -149176.9542 299.2860 175.5981 209.3180 556690.6781 6.2827 6.1668 PRESSURE: 4743200 -78.7019 -43.365 -106.673 -43.3646 131.087 168.013 -106.674 168.01 -65.7798 GPRESSURE: 4743200 -104.457 -19.5903 -143.167 -4.57465 150.579 140.561 -45.1375 142.556 29.3362 PRESSAVG: 4743200 -50.3619 30.4546 39.4544 30.4546 27.818 -12.0827 39.4545 -12.0826 39.8909 GPRESSAVG: 4743200 -50.0822 29.1335 40.2491 30.227 27.685 -15.4335 39.0356 -8.92198 39.7961 TIMING: 4743200 CPU: 14079.7, 0.00291534/step Wall: 14079.7, 0.00291534/step, 0.207961 hours remaining, 208.410156 MB of memory in use. ENERGY: 4743200 779.4979 2108.6071 1919.6480 114.0945 -206599.5359 17972.2652 0.0000 0.0000 34436.7175 -149268.7056 300.7444 -183705.4231 -149172.1005 299.9054 -4.4649 25.1527 557325.2840 5.7824 5.7996 PRESSURE: 4743400 66.7348 125.028 -94.7251 125.028 -106.154 14.3087 -94.7263 14.3091 264.312 GPRESSURE: 4743400 83.0112 78.8662 -176.034 135.246 -53.3307 62.517 -28.055 -14.2204 297.134 PRESSAVG: 4743400 -71.2003 25.9285 -1.76778 25.9285 23.0282 -66.1993 -1.7678 -66.1993 40.2105 GPRESSAVG: 4743400 -71.1635 26.0507 -1.14898 24.7209 22.5263 -63.9721 -2.34544 -68.4867 40.5844 TIMING: 4743400 CPU: 14080.3, 0.00293067/step Wall: 14080.3, 0.00293067/step, 0.208891 hours remaining, 208.410156 MB of memory in use. ENERGY: 4743400 742.9229 2085.2114 1919.6145 119.3236 -206520.0496 17984.5076 0.0000 0.0000 34429.3629 -149239.1067 300.6802 -183668.4697 -149137.5424 299.0105 74.9643 108.9380 556783.0253 -2.6539 -2.6843 PRESSURE: 4743600 49.0115 -16.832 30.8065 -16.8319 -204.741 -86.1459 30.8051 -86.1464 -197.605 GPRESSURE: 4743600 25.6048 -79.0277 57.8344 20.2149 -99.826 -53.7556 103.805 -87.2841 -198.056 PRESSAVG: 4743600 23.2517 -7.33308 -56.5566 -7.33304 -53.7664 35.5094 -56.5566 35.5094 99.7807 GPRESSAVG: 4743600 22.8752 -6.35794 -56.7421 -7.81827 -53.5109 34.5443 -56.7262 36.6449 99.7866 TIMING: 4743600 CPU: 14080.9, 0.00293183/step Wall: 14080.9, 0.00293183/step, 0.208811 hours remaining, 208.410156 MB of memory in use. ENERGY: 4743600 754.9495 2115.5530 1925.0363 116.8885 -205806.0215 17504.3185 0.0000 0.0000 34147.0007 -149242.2749 298.2143 -183389.2756 -149150.0067 298.9928 -117.7783 -90.7593 557076.1822 23.0887 23.0503 PRESSURE: 4743800 41.9813 42.7802 -6.16315 42.78 -37.6896 -27.8114 -6.16347 -27.8125 104.778 GPRESSURE: 4743800 31.1064 52.0154 4.16743 142.315 80.6843 -44.9233 90.4373 37.9602 93.2318 PRESSAVG: 4743800 -15.4133 -22.5253 -68.5637 -22.5253 -39.0204 -35.0524 -68.5637 -35.0523 42.1825 GPRESSAVG: 4743800 -14.5218 -24.6784 -67.6941 -20.0577 -39.3072 -36.9919 -68.7057 -33.0647 42.0206 TIMING: 4743800 CPU: 14081.5, 0.00294303/step Wall: 14081.5, 0.00294303/step, 0.209446 hours remaining, 208.410156 MB of memory in use. ENERGY: 4743800 760.4243 2097.3724 1926.7487 108.1902 -206412.3826 17866.0863 0.0000 0.0000 34217.1466 -149436.4141 298.8269 -183653.5608 -149337.7236 298.6776 36.3565 68.3408 556445.9519 -4.0837 -3.9361 PRESSURE: 4744000 -296.154 -115.537 -88.925 -115.537 -398.53 34.9167 -88.9253 34.9168 211.041 GPRESSURE: 4744000 -258.772 -162.04 -95.5737 -62.8592 -350.283 75.3923 -93.3355 56.2057 226.506 PRESSAVG: 4744000 -35.1657 -13.1685 1.95535 -13.1685 -13.8385 4.5083 1.95534 4.50819 63.8396 GPRESSAVG: 4744000 -35.8413 -11.8636 1.20952 -13.7627 -13.369 6.04355 2.97571 3.15679 64.3037 TIMING: 4744000 CPU: 14082.1, 0.00295737/step Wall: 14082.1, 0.00295737/step, 0.210302 hours remaining, 208.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4744000 720.7817 2095.4425 1940.5957 110.9892 -205966.8358 17558.9752 0.0000 0.0000 34330.4902 -149209.5613 299.8167 -183540.0514 -149109.5336 299.1757 -161.2146 -127.5161 557455.0187 4.9451 5.0312 PRESSURE: 4744200 -13.5139 128.394 -32.2635 128.394 -78.4349 -48.6526 -32.2644 -48.6534 -138.928 GPRESSURE: 4744200 10.9465 35.0651 -6.18795 154.355 -57.5174 -67.4753 -28.0606 -20.6761 -99.1415 PRESSAVG: 4744200 -44.3146 88.991 -34.3079 88.9909 33.8671 -9.28412 -34.3079 -9.28415 47.097 GPRESSAVG: 4744200 -43.9425 87.5705 -35.8368 90.3183 33.4118 -9.21682 -33.4772 -10.0355 47.3002 TIMING: 4744200 CPU: 14082.7, 0.00295742/step Wall: 14082.7, 0.00295742/step, 0.210141 hours remaining, 208.410156 MB of memory in use. ENERGY: 4744200 754.1037 2103.5969 1931.7458 114.6734 -206415.8053 17890.9878 0.0000 0.0000 34139.9264 -149480.7714 298.1525 -183620.6978 -149384.5245 299.5744 -76.9591 -48.5708 557825.5582 12.2165 12.2565 LDB: ============= START OF LOAD BALANCING ============== 14086.2 LDB: ============== END OF LOAD BALANCING =============== 14086.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14086.2 LDB: ============= START OF LOAD BALANCING ============== 14086.5 LDB: Largest compute 4801 load 0.020711 is 17.5% of average load 0.118149 LDB: Average compute 0.001736 is 1.5% of average load 0.118149 LDB: TIME 14086.5 LOAD: AVG 0.118149 MAX 0.197802 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.922 MB LDB: TIME 14086.5 LOAD: AVG 0.118149 MAX 0.197802 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.922 MB LDB: TIME 14086.5 LOAD: AVG 0.118149 MAX 0.197802 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14086.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14086.5 PRESSURE: 4744400 40.4161 -22.3012 1.36466 -22.3016 256.379 95.4523 1.36339 95.4532 -180.831 GPRESSURE: 4744400 25.5266 20.5381 19.7005 -12.0723 319.586 -19.1367 -74.2128 32.6376 -134.154 PRESSAVG: 4744400 -35.3612 8.94062 -35.8769 8.94067 -5.05401 16.5655 -35.877 16.5655 -2.0022 GPRESSAVG: 4744400 -36.5154 12.4896 -33.3047 5.0835 -4.60006 17.4184 -38.0419 16.0274 -1.44659 TIMING: 4744400 CPU: 14083.3, 0.00299936/step Wall: 14083.3, 0.00299936/step, 0.212955 hours remaining, 209.375000 MB of memory in use. ENERGY: 4744400 755.9014 2092.5143 1924.6377 111.6264 -206631.6527 17894.2504 0.0000 0.0000 34411.5814 -149441.1410 300.5249 -183852.7225 -149347.7925 298.9961 38.6547 70.3195 556943.4144 -14.1391 -14.1873 PRESSURE: 4744600 122.821 -20.7732 53.2255 -20.7728 -169.265 -50.5028 53.2244 -50.5044 116.795 GPRESSURE: 4744600 128.699 -39.904 -12.3274 91.8724 -107.666 -69.1265 20.7401 -20.6957 153.294 PRESSAVG: 4744600 -57.8577 49.3127 -37.6243 49.3127 61.4671 -27.8469 -37.6243 -27.8469 7.46782 GPRESSAVG: 4744600 -56.6099 47.6138 -38.202 50.9288 61.7422 -30.0534 -36.7583 -27.1899 6.00293 TIMING: 4744600 CPU: 14083.9, 0.00293599/step Wall: 14083.9, 0.00293599/step, 0.208292 hours remaining, 209.574219 MB of memory in use. ENERGY: 4744600 756.0636 2088.2578 1896.4824 106.8204 -206366.1555 17801.3910 0.0000 0.0000 34349.0247 -149368.1156 299.9786 -183717.1403 -149279.7964 299.2991 23.4501 58.1090 556400.7914 3.6924 3.7117 PRESSURE: 4744800 -170.251 -0.455642 -125.245 -0.455564 17.9237 62.4536 -125.245 62.4514 165.473 GPRESSURE: 4744800 -79.306 -0.947935 -172.474 -16.0665 -21.1061 37.6608 -53.562 154.391 200.729 PRESSAVG: 4744800 23.3494 -16.733 -42.5221 -16.733 -5.68358 -0.82934 -42.522 -0.829315 -11.4593 GPRESSAVG: 4744800 23.3335 -17.2763 -44.0849 -16.3771 -7.13325 0.180907 -41.8412 -0.7112 -9.9417 TIMING: 4744800 CPU: 14084.5, 0.00293166/step Wall: 14084.5, 0.00293166/step, 0.207822 hours remaining, 209.574219 MB of memory in use. ENERGY: 4744800 742.6245 2126.3539 1931.9207 121.9121 -206162.7217 17798.4591 0.0000 0.0000 34356.9066 -149084.5448 300.0474 -183441.4515 -148993.6479 299.4136 4.3819 33.4391 557513.4439 2.0688 2.0862 PRESSURE: 4745000 75.8636 79.5067 -40.8996 79.5063 18.0495 201.797 -40.8989 201.797 -36.765 GPRESSURE: 4745000 86.4527 130.252 1.33468 -29.6267 67.2144 138.186 -46.0892 95.1474 0.68657 PRESSAVG: 4745000 84.8727 8.86724 -24.6519 8.86732 -25.8723 3.79569 -24.6518 3.79557 -43.3682 GPRESSAVG: 4745000 83.5757 8.98616 -26.1195 8.78117 -24.4735 2.4152 -23.5844 4.39971 -43.3706 TIMING: 4745000 CPU: 14085, 0.00292752/step Wall: 14085, 0.00292752/step, 0.207366 hours remaining, 209.574219 MB of memory in use. ENERGY: 4745000 768.6407 2093.4208 1880.5457 95.4430 -205854.1326 17585.1022 0.0000 0.0000 34316.4125 -149114.5678 299.6938 -183430.9803 -149015.8426 299.9920 19.0493 51.4512 557083.1492 5.2107 5.2439 PRESSURE: 4745200 -262.542 -39.3796 -54.3371 -39.3808 -181.994 104.441 -54.3384 104.441 -377.308 GPRESSURE: 4745200 -234.84 41.9566 -81.9986 -84.9382 -133.795 129.121 5.01288 4.56197 -342.415 PRESSAVG: 4745200 60.2028 -11.1058 -0.491012 -11.1058 -83.2377 6.66977 -0.491027 6.66977 4.55418 GPRESSAVG: 4745200 60.3891 -11.5812 1.1824 -13.2536 -83.3068 6.67677 -1.97389 5.86403 4.51097 TIMING: 4745200 CPU: 14085.6, 0.0029276/step Wall: 14085.6, 0.0029276/step, 0.207209 hours remaining, 209.574219 MB of memory in use. ENERGY: 4745200 734.1808 2103.2113 1908.5243 113.9787 -205679.7037 17350.5536 0.0000 0.0000 34288.8716 -149180.3835 299.4532 -183469.2551 -149081.9308 299.3855 -273.9481 -237.0165 558732.8089 -6.1603 -6.1356 PRESSURE: 4745400 -243.88 10.3327 92.6661 10.3325 181.353 -80.8879 92.6673 -80.8851 -127.798 GPRESSURE: 4745400 -212.963 66.0305 160.199 -49.8608 171.519 -83.945 60.5728 -30.7927 -43.5243 PRESSAVG: 4745400 -44.2462 -14.1467 34.0951 -14.1467 57.0025 -23.584 34.0951 -23.584 11.8204 GPRESSAVG: 4745400 -44.1499 -11.6456 33.4149 -12.9852 57.1416 -20.7007 34.8652 -24.849 11.8613 TIMING: 4745400 CPU: 14086.2, 0.00291686/step Wall: 14086.2, 0.00291686/step, 0.206287 hours remaining, 209.574219 MB of memory in use. ENERGY: 4745400 777.4177 2109.2811 1938.8396 108.7044 -206247.2922 17695.4891 0.0000 0.0000 34362.0469 -149255.5135 300.0923 -183617.5604 -149164.0253 299.9038 -63.4418 -28.3229 556767.1353 8.1922 8.2843 PRESSURE: 4745600 -77.5355 -57.6006 103.501 -57.6004 -62.8281 -32.7161 103.503 -32.7157 -87.0698 GPRESSURE: 4745600 47.9146 -93.3246 70.7664 -86.9193 -125.922 -32.9925 87.6924 -31.006 -56.1926 PRESSAVG: 4745600 15.8301 -8.43244 -24.5176 -8.43254 14.5688 -14.6329 -24.5176 -14.633 -11.4889 GPRESSAVG: 4745600 17.6798 -9.85341 -22.2239 -7.01524 13.2984 -15.9897 -27.377 -12.8002 -11.9121 TIMING: 4745600 CPU: 14086.8, 0.00292203/step Wall: 14086.8, 0.00292203/step, 0.20649 hours remaining, 209.574219 MB of memory in use. ENERGY: 4745600 738.8372 2105.1323 1899.5595 105.6936 -206008.1876 17648.8673 0.0000 0.0000 34314.7976 -149195.3002 299.6797 -183510.0978 -149096.5130 299.2558 -75.8111 -44.7334 557827.0991 6.3033 6.3554 PRESSURE: 4745800 -66.7814 71.1489 274.275 71.148 -89.5995 -12.0523 274.276 -12.0525 -106.155 GPRESSURE: 4745800 -27.0269 49.2875 268.969 81.8197 -80.212 -52.8196 290.938 25.652 -45.0809 PRESSAVG: 4745800 12.8852 -33.6557 -12.6436 -33.6557 8.36594 0.42906 -12.6436 0.429065 -12.5606 GPRESSAVG: 4745800 12.107 -31.6151 -11.2461 -36.5795 8.40449 2.16736 -13.2277 -0.00657679 -11.4169 TIMING: 4745800 CPU: 14087.4, 0.00293071/step Wall: 14087.4, 0.00293071/step, 0.20694 hours remaining, 209.574219 MB of memory in use. ENERGY: 4745800 742.9921 2121.0699 1904.7661 113.9019 -206368.8493 17848.3041 0.0000 0.0000 34237.9089 -149399.9062 299.0082 -183637.8151 -149306.5833 298.8152 -87.5119 -50.7733 557483.8743 2.8968 3.0315 PRESSURE: 4746000 -0.825666 -40.3265 -85.2265 -40.3281 -231.398 -62.9672 -85.2271 -62.9678 400.57 GPRESSURE: 4746000 36.7468 53.0153 26.7593 74.4964 -142.57 -23.6566 -89.721 -43.9645 369.102 PRESSAVG: 4746000 25.7413 -50.4209 -6.65553 -50.4209 -60.2586 10.8812 -6.65551 10.8811 40.364 GPRESSAVG: 4746000 25.8731 -50.6861 -8.70146 -49.5257 -59.766 9.9233 -4.21803 10.0871 40.2513 TIMING: 4746000 CPU: 14088, 0.00292128/step Wall: 14088, 0.00292128/step, 0.206113 hours remaining, 209.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4746000 731.5084 2138.4430 1921.2531 109.1886 -206477.1081 17899.0931 0.0000 0.0000 34272.4193 -149405.2026 299.3096 -183677.6219 -149312.1203 298.9472 56.1156 87.7597 557030.9042 1.9489 2.1195 PRESSURE: 4746200 246.04 172.356 36.2809 172.356 153.759 19.7777 36.279 19.7794 11.5486 GPRESSURE: 4746200 255.681 217.774 82.3897 159.213 161.149 32.0961 11.9921 53.5725 85.2115 PRESSAVG: 4746200 52.5706 38.6933 11.4478 38.6932 -33.7564 -8.49092 11.4478 -8.49085 9.8591 GPRESSAVG: 4746200 51.1554 37.3172 10.02 40.978 -33.3333 -9.30161 9.1244 -6.4728 10.8753 TIMING: 4746200 CPU: 14088.6, 0.00290917/step Wall: 14088.6, 0.00290917/step, 0.205097 hours remaining, 209.574219 MB of memory in use. ENERGY: 4746200 732.2381 2140.1891 1935.1742 111.7903 -206572.6966 18055.8372 0.0000 0.0000 34260.4059 -149337.0617 299.2046 -183597.4677 -149248.1202 298.6141 137.1158 167.3471 557613.6197 9.5578 9.5658 PRESSURE: 4746400 64.1612 -187.127 56.9942 -187.127 -49.1363 -114.773 56.994 -114.773 -172.011 GPRESSURE: 4746400 72.9686 -187.11 64.3893 -142.621 15.4764 -86.1822 96.5161 4.74158 -155.035 PRESSAVG: 4746400 27.9474 35.3212 17.501 35.3212 21.7771 19.6005 17.5011 19.6006 -43.4527 GPRESSAVG: 4746400 29.1958 36.1636 19.5073 34.332 21.8471 19.2398 19.7045 17.7331 -44.3576 TIMING: 4746400 CPU: 14089.1, 0.00291768/step Wall: 14089.1, 0.00291768/step, 0.205534 hours remaining, 209.574219 MB of memory in use. ENERGY: 4746400 753.3698 2142.4225 1908.4868 111.0020 -206264.1179 17808.6669 0.0000 0.0000 34401.1185 -149139.0513 300.4335 -183540.1698 -149043.5593 299.1993 -52.3285 -22.1966 558311.4494 2.0906 2.2284 PRESSURE: 4746600 -225.296 148.12 -50.0993 148.12 0.633389 -44.996 -50.1004 -44.9966 -159.938 GPRESSURE: 4746600 -176.226 141.204 -69.1592 138.054 47.5022 -92.7843 -40.4401 -50.0969 -167.323 PRESSAVG: 4746600 7.20558 0.720693 -51.8889 0.720638 -20.6743 -7.35334 -51.889 -7.35339 -19.8622 GPRESSAVG: 4746600 6.98865 -1.28057 -53.9036 0.4328 -19.8782 -7.74656 -52.1874 -6.64607 -20.035 TIMING: 4746600 CPU: 14089.7, 0.00292857/step Wall: 14089.7, 0.00292857/step, 0.206139 hours remaining, 209.574219 MB of memory in use. ENERGY: 4746600 753.9452 2084.0586 1904.9734 116.1206 -205805.4101 17533.8353 0.0000 0.0000 34337.6181 -149074.8588 299.8790 -183412.4769 -148969.0345 299.6262 -128.2000 -98.6824 558838.7448 -11.1103 -10.9749 PRESSURE: 4746800 60.339 206.732 -59.4103 206.731 41.1252 82.7601 -59.41 82.7619 -198.75 GPRESSURE: 4746800 154.55 253.518 -46.265 182.13 35.5986 75.2134 21.0392 90.471 -195.887 PRESSAVG: 4746800 -7.76317 -48.4209 -26.1093 -48.4209 -44.0099 -3.28883 -26.1093 -3.28879 62.5207 GPRESSAVG: 4746800 -5.71378 -47.6407 -26.2631 -48.2926 -44.4354 -4.82068 -25.656 -2.76007 61.3321 TIMING: 4746800 CPU: 14090.3, 0.00292154/step Wall: 14090.3, 0.00292154/step, 0.205482 hours remaining, 209.574219 MB of memory in use. ENERGY: 4746800 757.2132 2123.8729 1904.0007 108.7679 -206303.0919 18002.4550 0.0000 0.0000 34427.7837 -148978.9985 300.6664 -183406.7822 -148877.5035 299.9645 -32.4287 -1.9128 559398.2430 3.5825 3.7276 PRESSURE: 4747000 200.39 42.5629 113.546 42.5626 -25.1317 47.8916 113.545 47.8911 -6.54677 GPRESSURE: 4747000 229.186 38.559 91.1616 116.833 22.2091 51.3754 155.499 39.9854 30.381 PRESSAVG: 4747000 12.9712 0.916356 -19.8513 0.916353 32.5094 16.0974 -19.8512 16.0973 -39.6291 GPRESSAVG: 4747000 12.1589 1.33053 -18.5209 0.590749 31.8191 16.7504 -19.6814 15.7885 -38.018 TIMING: 4747000 CPU: 14090.9, 0.00292089/step Wall: 14090.9, 0.00292089/step, 0.205274 hours remaining, 209.574219 MB of memory in use. ENERGY: 4747000 770.3018 2058.7323 1921.6002 111.9913 -206195.7250 17916.8745 0.0000 0.0000 34340.1265 -149076.0982 299.9009 -183416.2248 -148985.7969 299.5997 56.2373 93.9252 557890.3504 1.9505 1.9867 PRESSURE: 4747200 -69.454 -2.43438 119.104 -2.4347 -99.0145 29.2931 119.103 29.2945 -25.0085 GPRESSURE: 4747200 5.13764 -52.4111 163.644 -31.0785 -18.8686 36.9381 62.0751 22.384 -74.4353 PRESSAVG: 4747200 90.2714 1.06294 23.8374 1.06289 -48.0327 45.5159 23.8375 45.516 -42.0858 GPRESSAVG: 4747200 90.2155 1.60736 24.0347 1.67497 -48.6155 46.6754 20.9123 45.8847 -41.5765 TIMING: 4747200 CPU: 14091.5, 0.00294572/step Wall: 14091.5, 0.00294572/step, 0.206855 hours remaining, 209.574219 MB of memory in use. ENERGY: 4747200 714.4550 2090.9993 1935.6604 117.8193 -205788.5797 17597.5603 0.0000 0.0000 34547.1929 -148784.8925 301.7092 -183332.0854 -148684.5560 300.1439 -64.4923 -29.3888 559547.4734 0.0510 0.0078 PRESSURE: 4747400 96.0923 232.428 -122.917 232.426 82.5513 163.908 -122.916 163.907 -170.325 GPRESSURE: 4747400 115.12 253.241 -229.98 160.276 75.5868 78.0849 -44.0142 189.489 -76.752 PRESSAVG: 4747400 57.0659 28.7862 -26.3849 28.7862 31.0504 80.2136 -26.3849 80.2135 -83.3614 GPRESSAVG: 4747400 58.3772 29.4278 -27.0919 26.9374 31.669 79.1089 -24.3353 79.4738 -84.5314 TIMING: 4747400 CPU: 14092.1, 0.00295855/step Wall: 14092.1, 0.00295855/step, 0.207592 hours remaining, 209.574219 MB of memory in use. ENERGY: 4747400 767.6610 2070.8991 1901.2534 122.3756 -206024.9952 17850.9494 0.0000 0.0000 34581.3893 -148730.4674 302.0079 -183311.8567 -148638.9754 299.8173 2.7730 37.9849 559469.2821 1.5850 1.8383 PRESSURE: 4747600 -18.3239 43.4296 -20.5701 43.4284 94.668 14.3605 -20.5686 14.3601 63.2663 GPRESSURE: 4747600 63.9054 78.3856 4.74433 46.4109 44.8915 90.2177 -101.197 -78.0786 129.167 PRESSAVG: 4747600 -8.16056 36.8427 -31.733 36.8427 -2.24023 11.0692 -31.733 11.0691 -0.9612 GPRESSAVG: 4747600 -8.05818 36.3335 -32.2478 37.1932 -2.43067 11.3152 -29.9955 10.8412 -1.22771 TIMING: 4747600 CPU: 14092.7, 0.00293626/step Wall: 14092.7, 0.00293626/step, 0.205864 hours remaining, 209.574219 MB of memory in use. ENERGY: 4747600 779.7643 2073.8589 1901.2683 111.5502 -206223.7139 18052.7197 0.0000 0.0000 34550.2804 -148754.2722 301.7362 -183304.5526 -148659.9724 300.2403 46.5368 79.3212 558729.7411 -3.7873 -3.9055 PRESSURE: 4747800 -172.798 108.417 187.406 108.418 -217.02 20.7748 187.405 20.7748 -31.4612 GPRESSURE: 4747800 -167.206 112.052 140.239 119.742 -149.246 -24.5162 192.943 157.983 6.93471 PRESSAVG: 4747800 12.4004 25.0422 25.4979 25.0423 17.0262 22.2121 25.4979 22.2121 -12.0342 GPRESSAVG: 4747800 11.8931 22.0841 28.0993 25.7694 17.3632 20.2255 23.5517 24.1265 -11.3668 TIMING: 4747800 CPU: 14093.2, 0.00293642/step Wall: 14093.2, 0.00293642/step, 0.205713 hours remaining, 209.574219 MB of memory in use. ENERGY: 4747800 763.1786 2072.7818 1906.7053 114.4054 -205583.6202 17534.4574 0.0000 0.0000 34354.8788 -148837.2129 300.0297 -183192.0917 -148730.4721 299.9475 -140.4263 -103.1725 557371.9535 5.7975 5.9632 PRESSURE: 4748000 80.7078 116.908 107.435 116.907 162.176 -14.9136 107.435 -14.9139 314.723 GPRESSURE: 4748000 107.179 26.4198 59.1354 102.691 177.758 -27.5856 112.57 -10.0289 360.455 PRESSAVG: 4748000 -3.02686 14.4223 32.2213 14.4224 10.9767 2.5759 32.2213 2.57582 3.75611 GPRESSAVG: 4748000 -2.60632 15.062 29.2873 15.5629 10.9925 4.90077 32.497 0.892861 2.82451 TIMING: 4748000 CPU: 14093.8, 0.00294326/step Wall: 14093.8, 0.00294326/step, 0.206028 hours remaining, 209.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4748000 736.8710 2063.1981 1909.5048 105.6448 -205701.6168 17782.1059 0.0000 0.0000 34223.9568 -148880.3353 298.8863 -183104.2922 -148783.0206 300.2031 185.8688 215.1311 557494.3418 3.9020 3.7369 PRESSURE: 4748200 99.5087 -77.4583 -32.3135 -77.458 43.1946 -1.88371 -32.3156 -1.88345 -195.72 GPRESSURE: 4748200 141.552 1.34617 21.0009 -74.1496 71.2817 23.3517 -11.6739 -69.7781 -159.915 PRESSAVG: 4748200 0.863693 -47.9354 -13.4999 -47.9354 -7.61573 19.0409 -13.5 19.0409 59.9617 GPRESSAVG: 4748200 0.566521 -45.3657 -13.3174 -48.9311 -6.15594 18.5612 -13.6556 19.8099 59.1183 TIMING: 4748200 CPU: 14094.4, 0.00293225/step Wall: 14094.4, 0.00293225/step, 0.205095 hours remaining, 209.574219 MB of memory in use. ENERGY: 4748200 719.4102 2062.5709 1917.8105 108.2978 -205419.4946 17619.5478 0.0000 0.0000 34315.7804 -148676.0771 299.6882 -182991.8575 -148571.5787 300.6809 -17.6724 17.6398 557555.6560 17.7365 17.8430 LDB: ============= START OF LOAD BALANCING ============== 14098 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14098 LDB: =============== DONE WITH MIGRATION ================ 14098 LDB: ============= START OF LOAD BALANCING ============== 14098.3 LDB: Largest compute 4801 load 0.021068 is 17.8% of average load 0.118251 LDB: Average compute 0.001733 is 1.5% of average load 0.118251 LDB: TIME 14098.3 LOAD: AVG 0.118251 MAX 0.195592 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.473 MB LDB: TIME 14098.3 LOAD: AVG 0.118251 MAX 0.195592 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.672 MB LDB: TIME 14098.3 LOAD: AVG 0.118251 MAX 0.195592 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.672 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14098.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14098.3 PRESSURE: 4748400 155.33 -130.462 -86.3078 -130.463 -10.5452 46.4212 -86.3062 46.4198 -267.646 GPRESSURE: 4748400 145.941 -133.201 -42.8086 -122.825 47.2748 45.5564 -100.668 57.0627 -213.029 PRESSAVG: 4748400 -16.6401 -78.833 -9.57428 -78.8329 9.49908 -22.1531 -9.57425 -22.153 -16.8081 GPRESSAVG: 4748400 -17.2171 -80.7448 -9.31191 -79.1923 8.37136 -23.3532 -8.73679 -24.2424 -14.779 TIMING: 4748400 CPU: 14095, 0.00298588/step Wall: 14095, 0.00298588/step, 0.20868 hours remaining, 208.992188 MB of memory in use. ENERGY: 4748400 760.6336 2106.2829 1910.0890 105.2582 -205942.0606 17631.4498 0.0000 0.0000 34480.3074 -148948.0397 301.1251 -183428.3470 -148853.1155 300.5273 -40.9536 -6.6043 556804.9089 -7.9830 -7.8749 PRESSURE: 4748600 7.05469 65.8785 55.6751 65.8786 -42.2523 -84.5119 55.6754 -84.5097 -15.2001 GPRESSURE: 4748600 33.5314 10.7116 49.9188 90.08 27.5893 -99.1684 76.6945 56.1107 -4.63735 PRESSAVG: 4748600 -5.88633 -14.6775 -23.3298 -14.6775 -8.23258 -7.12621 -23.3299 -7.12621 22.1978 GPRESSAVG: 4748600 -5.08071 -14.0387 -24.4623 -13.2205 -7.41309 -6.05446 -24.523 -5.56854 20.3896 TIMING: 4748600 CPU: 14095.6, 0.00293219/step Wall: 14095.6, 0.00293219/step, 0.204765 hours remaining, 208.992188 MB of memory in use. ENERGY: 4748600 743.0795 2129.5144 1895.8743 107.5206 -205893.3300 17593.1401 0.0000 0.0000 34469.7938 -148954.4072 301.0333 -183424.2011 -148858.1187 299.9533 -16.7992 18.8278 556164.0860 2.6930 2.6319 PRESSURE: 4748800 -197.02 168.416 25.4408 168.415 -168.618 -92.6589 25.4416 -92.6589 -143.832 GPRESSURE: 4748800 -145.734 225.932 -14.1732 65.3961 -151.767 -40.9102 150.502 -32.0167 -112.78 PRESSAVG: 4748800 -8.7234 -27.5012 13.6327 -27.5013 -61.1595 -37.3699 13.6326 -37.3699 47.1708 GPRESSAVG: 4748800 -8.40878 -26.5663 13.9004 -29.095 -61.3482 -36.1343 12.3893 -39.1627 47.7724 TIMING: 4748800 CPU: 14096.2, 0.00292435/step Wall: 14096.2, 0.00292435/step, 0.204055 hours remaining, 208.992188 MB of memory in use. ENERGY: 4748800 721.4500 2033.4512 1911.6788 110.5180 -205354.1921 17463.8229 0.0000 0.0000 34346.7616 -148766.5095 299.9588 -183113.2711 -148671.5845 300.4488 -169.8233 -136.7606 558383.3252 -7.5707 -7.3282 PRESSURE: 4749000 -141.065 113.854 212.724 113.854 7.75254 -113.121 212.724 -113.122 -387.986 GPRESSURE: 4749000 -91.5512 87.7417 303.802 155.949 13.1482 -223.094 168.328 -71.0013 -352.599 PRESSAVG: 4749000 17.1488 16.5292 27.8274 16.5292 18.7788 -72.4356 27.8274 -72.4356 17.2445 GPRESSAVG: 4749000 16.4722 15.9147 26.6176 17.0097 19.5954 -73.1286 29.8289 -71.4078 17.8143 TIMING: 4749000 CPU: 14096.8, 0.0029349/step Wall: 14096.8, 0.0029349/step, 0.204628 hours remaining, 208.992188 MB of memory in use. ENERGY: 4749000 717.9104 2137.3380 1937.1587 114.4906 -205711.6496 17585.6212 0.0000 0.0000 34319.1552 -148899.9754 299.7177 -183219.1306 -148806.3770 300.2282 -173.7662 -143.6673 557833.8938 17.7240 17.9607 PRESSURE: 4749200 58.7534 79.2785 93.0712 79.2766 50.7502 -111.78 93.0708 -111.782 -151.727 GPRESSURE: 4749200 176.542 63.6431 21.1096 123.579 83.4933 -190.804 174.383 -23.0859 -202.238 PRESSAVG: 4749200 41.0277 9.24481 -2.39568 9.24478 -0.479686 -54.237 -2.39556 -54.2367 -78.2983 GPRESSAVG: 4749200 43.11 9.03545 0.176214 7.77603 -2.04369 -54.7879 -2.10786 -53.6524 -78.4381 TIMING: 4749200 CPU: 14097.4, 0.00294925/step Wall: 14097.4, 0.00294925/step, 0.205465 hours remaining, 208.992188 MB of memory in use. ENERGY: 4749200 765.6972 2079.6309 1911.2712 99.6472 -205642.0718 17610.4258 0.0000 0.0000 34242.4726 -148932.9269 299.0480 -183175.3995 -148838.4328 299.6014 -14.0744 19.2657 558522.7762 -12.5835 -12.4572 PRESSURE: 4749400 222.251 -111.683 37.4206 -111.683 66.5389 -98.1559 37.4195 -98.1575 -3.8194 GPRESSURE: 4749400 223.531 -156.283 59.3704 -29.6309 92.7911 -51.3028 30.5378 -98.1185 61.858 PRESSAVG: 4749400 23.7431 -24.1593 3.18599 -24.1594 31.6084 16.0799 3.18602 16.0799 -40.1837 GPRESSAVG: 4749400 21.1489 -23.2992 1.95205 -23.3324 34.2107 15.8731 2.51621 16.1835 -40.1179 TIMING: 4749400 CPU: 14098, 0.00294267/step Wall: 14098, 0.00294267/step, 0.204842 hours remaining, 208.992188 MB of memory in use. ENERGY: 4749400 751.4327 2095.5372 1913.5291 124.8854 -206103.8039 17926.6826 0.0000 0.0000 34365.6428 -148926.0941 300.1237 -183291.7368 -148829.0683 300.2121 94.9902 126.0601 558023.8964 5.0560 5.0806 PRESSURE: 4749600 281.241 69.5254 -5.31966 69.5253 -168.907 -13.4233 -5.31924 -13.4252 -110.476 GPRESSURE: 4749600 296.246 54.7426 13.2854 64.2794 -197.868 -70.0075 -32.4832 17.9201 -11.7858 PRESSAVG: 4749600 64.286 36.1048 -46.6621 36.1048 -1.46095 3.33565 -46.662 3.33549 -20.8786 GPRESSAVG: 4749600 65.4955 36.0278 -46.6245 36.9418 -3.32405 4.23567 -48.7261 3.92374 -20.2669 TIMING: 4749600 CPU: 14098.5, 0.00294698/step Wall: 14098.5, 0.00294698/step, 0.204979 hours remaining, 208.992188 MB of memory in use. ENERGY: 4749600 753.3449 2101.3298 1913.4764 114.2090 -205941.0714 17704.7777 0.0000 0.0000 34168.0775 -149185.8562 298.3983 -183353.9336 -149093.2443 299.8135 0.6193 28.8641 558237.8164 13.9821 13.9682 PRESSURE: 4749800 183.387 10.1859 -102.153 10.1857 -14.8613 68.1045 -102.153 68.104 24.4229 GPRESSURE: 4749800 202.158 -6.2182 -123.32 -4.11818 -14.9656 85.6019 -61.615 113.651 101.582 PRESSAVG: 4749800 28.2661 -14.8863 -7.83023 -14.8862 12.3933 -26.3463 -7.83014 -26.3464 -63.5922 GPRESSAVG: 4749800 29.1062 -16.3098 -8.76131 -14.5208 13.6811 -28.4164 -4.93135 -27.4245 -65.0696 TIMING: 4749800 CPU: 14099.1, 0.00294547/step Wall: 14099.1, 0.00294547/step, 0.20471 hours remaining, 208.992188 MB of memory in use. ENERGY: 4749800 742.3044 2110.6040 1892.4599 112.5492 -206277.5034 18001.2686 0.0000 0.0000 34130.6088 -149287.7085 298.0711 -183418.3173 -149192.8517 298.6989 64.3162 96.2582 559931.0714 -7.6442 -7.4275 PRESSURE: 4750000 222.175 131.902 78.3386 131.902 40.1591 3.08004 78.3386 3.07865 34.8163 GPRESSURE: 4750000 239.515 78.5315 107.092 108.872 61.1125 89.2777 28.818 -86.135 83.9342 PRESSAVG: 4750000 64.1394 9.38289 -19.5778 9.38292 8.72047 -7.54641 -19.5777 -7.54643 -102.404 GPRESSAVG: 4750000 63.2404 10.4851 -19.5675 8.14994 8.07435 -5.60375 -19.7502 -7.94381 -101.02 TIMING: 4750000 CPU: 14099.7, 0.00298588/step Wall: 14099.7, 0.00298588/step, 0.207353 hours remaining, 208.992188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4750000 739.2071 2138.1600 1910.6459 112.9845 -206414.5272 17939.5928 0.0000 0.0000 34328.7782 -149245.1587 299.8018 -183573.9369 -149146.4963 299.1189 99.0503 128.1872 558895.3559 -9.8480 -9.9019 PRESSURE: 4750200 26.6871 -15.6222 -120.632 -15.6231 38.8049 -11.0719 -120.632 -11.0729 -437.897 GPRESSURE: 4750200 66.8311 -64.5518 -121.895 21.0185 103.516 58.4088 -113.033 -32.9552 -453.219 PRESSAVG: 4750200 20.4364 -3.38453 26.7482 -3.38451 -32.288 14.2257 26.7481 14.2256 -6.17543 GPRESSAVG: 4750200 20.4361 -3.79713 25.8383 -3.36947 -32.7704 12.9495 26.6428 14.4274 -5.87288 TIMING: 4750200 CPU: 14100.3, 0.00296931/step Wall: 14100.3, 0.00296931/step, 0.206037 hours remaining, 208.992188 MB of memory in use. ENERGY: 4750200 742.6559 2127.8790 1935.0373 109.4372 -206181.7700 17695.8932 0.0000 0.0000 34335.0223 -149235.8451 299.8563 -183570.8673 -149140.2471 299.3867 -124.1349 -94.2907 558639.4401 -6.0090 -6.0691 PRESSURE: 4750400 -81.3251 88.1825 165.599 88.1825 187.892 149.254 165.599 149.253 130.141 GPRESSURE: 4750400 -48.6164 149.57 134.459 119.819 237.729 112.688 151.238 169.904 140.748 PRESSAVG: 4750400 49.9435 74.6568 -6.46116 74.6568 -23.9335 29.0748 -6.46111 29.0747 -0.129875 GPRESSAVG: 4750400 51.1476 75.0848 -2.98785 74.9148 -24.5177 28.4897 -9.73616 29.354 -0.933887 TIMING: 4750400 CPU: 14100.9, 0.00295473/step Wall: 14100.9, 0.00295473/step, 0.204862 hours remaining, 208.992188 MB of memory in use. ENERGY: 4750400 715.1302 2125.3585 1891.6803 120.9977 -206027.6807 17907.1614 0.0000 0.0000 34160.4617 -149106.8908 298.3318 -183267.3525 -149013.7925 298.9711 78.9025 109.9537 557299.0999 8.6267 8.5653 PRESSURE: 4750600 -181.683 -66.981 146.298 -66.981 -253.591 -49.6447 146.298 -49.6443 -287.774 GPRESSURE: 4750600 -142.857 27.7923 98.0142 -148.187 -214.752 71.5059 94.5869 -125.746 -261.18 PRESSAVG: 4750600 46.7417 39.986 -5.15292 39.986 -5.20186 11.2303 -5.15289 11.2303 -31.7281 GPRESSAVG: 4750600 45.9585 40.6559 -7.214 39.5311 -4.02655 13.3731 -3.00657 9.85582 -31.9371 TIMING: 4750600 CPU: 14101.5, 0.00293607/step Wall: 14101.5, 0.00293607/step, 0.203405 hours remaining, 208.992188 MB of memory in use. ENERGY: 4750600 770.0997 2087.8082 1915.1023 112.7763 -205453.2965 17317.6116 0.0000 0.0000 34132.9084 -149116.9899 298.0912 -183249.8984 -149009.7396 298.7965 -241.0160 -206.2630 557511.6906 3.2706 3.3316 PRESSURE: 4750800 87.5816 13.81 101.567 13.8097 -264.452 -15.1163 101.567 -15.1157 -48.5951 GPRESSURE: 4750800 132.826 77.3793 87.2294 66.1787 -179.533 -106.308 49.2825 10.9426 -88.8827 PRESSAVG: 4750800 39.1075 4.30161 55.1418 4.30159 26.1718 -17.6141 55.1417 -17.6143 -47.6021 GPRESSAVG: 4750800 39.5384 2.86111 55.1269 3.77787 26.5225 -19.188 55.2104 -14.0734 -48.2027 TIMING: 4750800 CPU: 14102.1, 0.00295487/step Wall: 14102.1, 0.00295487/step, 0.204543 hours remaining, 208.992188 MB of memory in use. ENERGY: 4750800 750.8661 2115.0656 1904.2435 108.6011 -206076.7985 17778.2872 0.0000 0.0000 34264.1479 -149155.5872 299.2373 -183419.7351 -149052.7527 299.7445 -75.1553 -45.1966 558405.5392 5.8924 5.9527 PRESSURE: 4751000 -155.728 -118.477 -46.5705 -118.478 -86.0072 -17.9601 -46.5689 -17.9582 -72.0375 GPRESSURE: 4751000 -51.3657 -109.024 -51.2351 -154.585 -70.7109 39.1517 -47.4236 6.21077 -89.0061 PRESSAVG: 4751000 61.2443 24.7218 -37.4475 24.7218 -43.4832 2.52717 -37.4475 2.52701 -39.0468 GPRESSAVG: 4751000 60.1493 26.7166 -37.9396 22.722 -43.461 3.36873 -39.4852 -0.707265 -38.1824 TIMING: 4751000 CPU: 14102.7, 0.00298299/step Wall: 14102.7, 0.00298299/step, 0.206324 hours remaining, 209.250000 MB of memory in use. ENERGY: 4751000 765.8987 2039.3305 1907.7143 104.6317 -205835.6455 17690.1727 0.0000 0.0000 34328.5710 -148999.3267 299.7999 -183327.8976 -148899.6501 300.0119 -104.5909 -70.3609 558444.7299 -7.0952 -7.1647 PRESSURE: 4751200 -9.48421 -14.33 33.9902 -14.3302 136.037 -54.3721 33.9911 -54.3713 -188.12 GPRESSURE: 4751200 7.8839 -75.3266 76.2411 24.1935 76.196 -42.3347 8.69402 -95.866 -59.8309 PRESSAVG: 4751200 16.6897 34.6634 -17.7729 34.6634 33.2068 -26.6933 -17.7728 -26.6933 -15.4385 GPRESSAVG: 4751200 17.2559 31.527 -16.8165 39.2843 33.4123 -27.0515 -16.9211 -26.4804 -16.0567 TIMING: 4751200 CPU: 14103.3, 0.00294283/step Wall: 14103.3, 0.00294283/step, 0.203382 hours remaining, 209.250000 MB of memory in use. ENERGY: 4751200 759.2177 2016.8625 1931.3782 118.4074 -205862.7363 17690.9161 0.0000 0.0000 34283.1887 -149062.7658 299.4036 -183345.9545 -148974.8477 299.9031 -20.5224 8.0830 558241.7460 11.4860 11.5372 PRESSURE: 4751400 192.941 -168.32 45.7764 -168.32 -117.55 7.97053 45.776 7.97096 65.1157 GPRESSURE: 4751400 196.93 -119.637 31.8009 -206.52 -100.78 -53.3755 60.1157 77.7288 141.559 PRESSAVG: 4751400 1.58308 -9.52025 -2.4414 -9.52028 10.6315 15.1389 -2.44141 15.139 -10.0383 GPRESSAVG: 4751400 0.798115 -8.16211 -3.73599 -11.4288 10.5116 14.3154 0.611126 14.9722 -9.34408 TIMING: 4751400 CPU: 14103.9, 0.00293039/step Wall: 14103.9, 0.00293039/step, 0.20236 hours remaining, 209.250000 MB of memory in use. ENERGY: 4751400 727.8613 2078.9404 1939.4882 108.2149 -205691.0733 17664.5905 0.0000 0.0000 34173.5544 -148998.4235 298.4462 -183171.9779 -148898.4560 300.2468 46.8356 79.2364 558332.6851 0.7254 0.6552 PRESSURE: 4751600 -66.4335 57.466 -246.343 57.4658 -141.061 44.8818 -246.344 44.8803 -220.265 GPRESSURE: 4751600 1.69297 -16.659 -246.003 72.0385 -116.511 -75.6889 -233.23 104.516 -210.752 PRESSAVG: 4751600 33.8386 -45.4383 44.9961 -45.4384 -17.2645 33.2622 44.9961 33.2623 -7.93005 GPRESSAVG: 4751600 33.4461 -46.4732 45.1538 -44.1932 -17.5658 33.6858 43.9206 32.4855 -7.09277 TIMING: 4751600 CPU: 14104.5, 0.00292981/step Wall: 14104.5, 0.00292981/step, 0.202157 hours remaining, 209.250000 MB of memory in use. ENERGY: 4751600 824.5995 2091.8714 1916.4214 104.2843 -206118.8543 17782.5466 0.0000 0.0000 34314.3301 -149084.8011 299.6756 -183399.1311 -148990.4647 300.2313 -142.5868 -108.5232 558333.1713 2.8813 2.9292 PRESSURE: 4751800 -18.2353 19.541 165.197 19.5393 -55.131 150.698 165.199 150.699 -205.623 GPRESSURE: 4751800 12.839 -38.7915 204.018 90.7798 -22.8791 102.146 75.6544 133.047 -164.157 PRESSAVG: 4751800 69.0801 51.9547 36.8017 51.9547 -59.1163 62.4575 36.8017 62.4575 10.4863 GPRESSAVG: 4751800 69.6769 52.7926 37.6831 52.3527 -58.6655 61.5409 36.8828 62.0026 8.7901 TIMING: 4751800 CPU: 14105, 0.00294097/step Wall: 14105, 0.00294097/step, 0.202764 hours remaining, 209.250000 MB of memory in use. ENERGY: 4751800 734.1311 2110.9488 1911.1045 105.0562 -205912.0269 17611.5493 0.0000 0.0000 34225.0825 -149214.1544 298.8962 -183439.2369 -149115.3521 299.8025 -92.9964 -58.0656 557492.6729 6.8167 6.6005 PRESSURE: 4752000 119.18 -3.85084 34.6431 -3.85104 29.9535 81.2159 34.6422 81.2152 13.7346 GPRESSURE: 4752000 122.735 -64.02 37.5661 29.0671 51.909 47.8475 -5.65186 105.972 81.1532 PRESSAVG: 4752000 -21.2689 63.9855 -2.30612 63.9855 -7.96086 29.7681 -2.30599 29.7681 57.9341 GPRESSAVG: 4752000 -22.2041 63.368 -1.51322 64.0301 -8.4687 29.1221 -4.4094 31.8908 58.5213 TIMING: 4752000 CPU: 14105.6, 0.00293209/step Wall: 14105.6, 0.00293209/step, 0.201989 hours remaining, 209.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4752000 718.4644 2098.3694 1947.9405 126.6617 -206274.1206 17968.9727 0.0000 0.0000 34327.7081 -149086.0037 299.7924 -183413.7118 -148991.4420 299.8196 54.2894 85.2657 558327.9470 9.5681 9.2828 PRESSURE: 4752200 211.937 152.644 -67.0932 152.644 -242.417 82.6222 -67.0933 82.6212 -112.746 GPRESSURE: 4752200 213.096 153.229 -22.8506 155.452 -193.249 38.4749 -67.6393 124.138 -64.6542 PRESSAVG: 4752200 -24.1078 84.6713 -48.4052 84.6712 53.7012 59.5309 -48.4053 59.5308 -1.62227 GPRESSAVG: 4752200 -24.4867 84.3766 -49.4835 82.9236 54.3382 62.2708 -46.8114 57.486 -1.90254 TIMING: 4752200 CPU: 14106.2, 0.0029532/step Wall: 14106.2, 0.0029532/step, 0.203279 hours remaining, 209.250000 MB of memory in use. ENERGY: 4752200 764.1385 2123.7110 1933.6601 113.2666 -206075.3807 17623.7836 0.0000 0.0000 34473.1255 -149043.6952 301.0624 -183516.8207 -148953.9342 299.8855 -47.7420 -14.9355 556987.9793 9.3237 9.3163 LDB: ============= START OF LOAD BALANCING ============== 14109.8 LDB: ============== END OF LOAD BALANCING =============== 14109.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14109.8 LDB: ============= START OF LOAD BALANCING ============== 14110.1 LDB: Largest compute 4801 load 0.021964 is 18.6% of average load 0.118207 LDB: Average compute 0.001734 is 1.5% of average load 0.118207 LDB: TIME 14110.1 LOAD: AVG 0.118207 MAX 0.198492 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.027 MB LDB: TIME 14110.1 LOAD: AVG 0.118207 MAX 0.198492 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.027 MB LDB: TIME 14110.1 LOAD: AVG 0.118207 MAX 0.198492 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.027 MB LDB: ============== END OF LOAD BALANCING =============== 14110.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14110.1 PRESSURE: 4752400 -159.703 97.0627 -136.614 97.0636 -117.779 77.13 -136.614 77.1302 -211.376 GPRESSURE: 4752400 -112.004 154.256 -59.6028 83.2271 -130.405 19.9125 -168.976 28.7297 -137.499 PRESSAVG: 4752400 -71.5757 32.3357 2.29247 32.3358 24.1995 34.3097 2.29251 34.3096 44.9436 GPRESSAVG: 4752400 -70.8683 32.7204 5.66832 34.2801 22.9539 31.8416 -0.532102 34.8348 45.4212 TIMING: 4752400 CPU: 14106.8, 0.00299506/step Wall: 14106.8, 0.00299506/step, 0.205993 hours remaining, 210.058594 MB of memory in use. ENERGY: 4752400 755.7555 2072.1808 1929.5846 103.1355 -206086.9008 17527.2425 0.0000 0.0000 34513.1980 -149185.8039 301.4123 -183699.0019 -149086.3050 299.6256 -162.9528 -126.6361 557189.3288 -0.8109 -0.8311 PRESSURE: 4752600 141.19 21.1284 110.078 21.1277 190.732 -102.766 110.08 -102.766 37.6936 GPRESSURE: 4752600 195.219 45.8194 119.615 56.8967 216.472 -57.7133 85.3098 -97.8529 46.8906 PRESSAVG: 4752600 -45.5662 5.54435 12.7179 5.54432 -24.6218 -24.165 12.7179 -24.165 36.7548 GPRESSAVG: 4752600 -45.6394 6.4952 10.6272 4.42228 -23.9438 -23.4791 14.385 -22.0569 35.6273 TIMING: 4752600 CPU: 14107.4, 0.00294267/step Wall: 14107.4, 0.00294267/step, 0.202227 hours remaining, 210.128906 MB of memory in use. ENERGY: 4752600 741.5577 2079.6785 1905.8075 113.5726 -206150.8929 17963.0437 0.0000 0.0000 34224.3981 -149122.8348 298.8902 -183347.2329 -149028.6953 299.4180 123.2052 152.8607 557238.3671 -11.1444 -11.3186 PRESSURE: 4752800 304.774 -27.6743 19.5173 -27.675 150.695 -19.5832 19.5162 -19.5843 -75.407 GPRESSURE: 4752800 331.752 -51.7225 26.1256 -9.53142 176.533 -12.9072 -19.8609 29.5263 -32.6747 PRESSAVG: 4752800 23.4309 -8.12137 22.2834 -8.12145 -3.35683 2.02204 22.2833 2.02208 6.03643 GPRESSAVG: 4752800 23.6492 -7.69024 21.0789 -9.05156 -4.30168 1.72519 22.3366 0.691638 6.39035 TIMING: 4752800 CPU: 14108, 0.002925/step Wall: 14108, 0.002925/step, 0.20085 hours remaining, 210.128906 MB of memory in use. ENERGY: 4752800 738.6842 2065.4062 1926.7584 109.9062 -206532.6748 18139.2295 0.0000 0.0000 34478.3962 -149074.2942 301.1084 -183552.6904 -148976.3136 299.6840 126.6873 158.5369 556386.7030 8.7035 8.5793 PRESSURE: 4753000 -40.6429 -135.698 -139.533 -135.697 -279.23 -13.5972 -139.533 -13.5954 22.28 GPRESSURE: 4753000 -12.7935 -60.3872 -152.605 -181.2 -218.61 -7.04105 -106.289 -35.5181 37.7628 PRESSAVG: 4753000 16.4242 9.49207 5.91221 9.49189 -53.8731 25.0147 5.91224 25.0147 10.7355 GPRESSAVG: 4753000 16.8446 9.53247 7.36137 8.15399 -53.6699 25.1871 5.50928 23.8851 10.0569 TIMING: 4753000 CPU: 14108.6, 0.00290831/step Wall: 14108.6, 0.00290831/step, 0.199542 hours remaining, 210.128906 MB of memory in use. ENERGY: 4753000 718.8223 2056.5615 1921.7132 107.5797 -205655.9122 17440.6114 0.0000 0.0000 34247.4421 -149163.1820 299.0914 -183410.6241 -149064.2273 299.4271 -99.1975 -64.5468 556105.6112 -8.9045 -8.9228 PRESSURE: 4753200 -142.988 -136.517 -132.532 -136.516 9.14851 -10.5791 -132.533 -10.5793 -136.79 GPRESSURE: 4753200 -92.4736 -75.01 -197.423 -118.06 38.8632 -14.8102 -124.172 2.0945 -111.404 PRESSAVG: 4753200 48.9739 -22.3937 -9.54994 -22.3938 -8.48288 64.438 -9.54997 64.438 -8.3049 GPRESSAVG: 4753200 48.532 -23.0377 -10.2594 -21.5573 -8.57308 63.884 -8.84689 65.7865 -8.43541 TIMING: 4753200 CPU: 14109.2, 0.002911/step Wall: 14109.2, 0.002911/step, 0.199565 hours remaining, 210.128906 MB of memory in use. ENERGY: 4753200 749.8520 2098.6309 1920.3109 104.4690 -206142.4228 17853.4351 0.0000 0.0000 34408.5399 -149007.1849 300.4983 -183415.7248 -148909.5692 299.7289 -90.2100 -55.0047 558309.1226 10.7287 10.5078 PRESSURE: 4753400 47.5433 64.8579 -69.0025 64.8573 45.8774 -77.7141 -69.0036 -77.7129 86.246 GPRESSURE: 4753400 94.9949 17.5349 -31.7989 85.6265 78.1973 -70.9704 -105.991 -74.6995 105.35 PRESSAVG: 4753400 -26.3936 0.851448 -34.345 0.85141 10.263 -25.4904 -34.345 -25.4903 -26.2288 GPRESSAVG: 4753400 -26.7987 -0.423594 -33.8268 1.06221 11.2238 -23.6221 -36.6207 -26.7212 -27.12 TIMING: 4753400 CPU: 14109.7, 0.00292146/step Wall: 14109.7, 0.00292146/step, 0.20012 hours remaining, 210.128906 MB of memory in use. ENERGY: 4753400 735.0448 2094.7600 1913.7081 102.0783 -206157.4832 17883.9865 0.0000 0.0000 34244.4479 -149183.4576 299.0653 -183427.9055 -149092.3063 299.3341 59.8889 92.8475 557237.7484 -14.1198 -14.2316 PRESSURE: 4753600 162.218 -14.7608 188.77 -14.7588 68.0409 4.30771 188.77 4.30608 81.8012 GPRESSURE: 4753600 212.421 -119.186 189.287 23.166 78.06 -79.333 117.358 15.6832 109.417 PRESSAVG: 4753600 -0.541332 7.8293 -14.7612 7.82926 -10.8505 14.1144 -14.7612 14.1146 -25.4263 GPRESSAVG: 4753600 -2.39297 7.77263 -16.0235 7.97602 -9.99821 13.3711 -14.1445 14.9937 -24.1256 TIMING: 4753600 CPU: 14110.3, 0.00293263/step Wall: 14110.3, 0.00293263/step, 0.200722 hours remaining, 210.128906 MB of memory in use. ENERGY: 4753600 715.0229 2069.0651 1905.7564 125.8675 -206420.6098 17878.8304 0.0000 0.0000 34391.9879 -149334.0795 300.3538 -183726.0675 -149234.9660 299.4877 104.0199 133.2992 557158.7402 -12.2727 -12.1723 PRESSURE: 4753800 -75.6146 60.2052 -5.31849 60.2069 -153.188 -86.2335 -5.31905 -86.2324 5.12827 GPRESSURE: 4753800 -79.4528 14.2008 -22.8064 54.6506 -91.2594 -61.2342 -51.0816 -142.443 37.0875 PRESSAVG: 4753800 33.819 -55.6216 62.5365 -55.6215 20.2478 16.9893 62.5364 16.9893 -29.814 GPRESSAVG: 4753800 34.449 -56.3659 62.9054 -55.1556 19.8059 20.7782 63.7257 14.8858 -30.4512 TIMING: 4753800 CPU: 14110.9, 0.00291126/step Wall: 14110.9, 0.00291126/step, 0.199098 hours remaining, 210.128906 MB of memory in use. ENERGY: 4753800 721.0093 2058.9160 1922.0113 110.4606 -206192.3562 17732.9053 0.0000 0.0000 34357.5953 -149289.4585 300.0534 -183647.0538 -149191.5128 299.7530 -74.5581 -44.5416 557705.8675 8.0843 7.9346 PRESSURE: 4754000 202.742 -77.8261 -66.691 -77.8253 -88.5627 67.1169 -66.6904 67.1192 -81.0863 GPRESSURE: 4754000 181.279 -52.7099 -79.6162 -55.3349 -19.359 57.1127 -97.9486 58.9794 -36.373 PRESSAVG: 4754000 -34.6784 -18.4759 -36.48 -18.476 -4.94318 53.7853 -36.4801 53.7853 49.8181 GPRESSAVG: 4754000 -33.7339 -16.6844 -37.1489 -20.8929 -6.22884 51.6045 -37.6186 53.6967 50.5294 TIMING: 4754000 CPU: 14111.5, 0.00291723/step Wall: 14111.5, 0.00291723/step, 0.199344 hours remaining, 210.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4754000 790.2781 2136.3871 1898.3790 105.1688 -206233.4975 17888.0198 0.0000 0.0000 34275.9206 -149139.3440 299.3401 -183415.2646 -149039.4541 299.9033 11.0311 41.8492 556451.6434 3.3988 3.5222 PRESSURE: 4754200 -98.1349 78.8033 14.212 78.8025 -157.803 14.3241 14.2127 14.3231 -90.2686 GPRESSURE: 4754200 10.8727 112.907 -82.9199 92.0715 -164.894 1.31489 -47.5703 3.09357 -96.0917 PRESSAVG: 4754200 -19.2935 9.4165 -13.772 9.41651 -25.7062 20.6683 -13.772 20.6683 59.4784 GPRESSAVG: 4754200 -19.4925 9.89326 -11.5 10.2506 -24.2394 19.2193 -14.4246 21.0006 58.644 TIMING: 4754200 CPU: 14112.1, 0.00292312/step Wall: 14112.1, 0.00292312/step, 0.199584 hours remaining, 210.128906 MB of memory in use. ENERGY: 4754200 752.1344 2117.6517 1900.3335 104.6225 -205947.1686 17613.9889 0.0000 0.0000 34269.9763 -149188.4613 299.2882 -183458.4376 -149093.9154 300.1806 -115.4023 -83.3711 558195.6225 4.8262 4.9707 PRESSURE: 4754400 -115.341 -29.1415 -32.8618 -29.1413 -145.326 -94.3583 -32.8621 -94.3572 -49.3258 GPRESSURE: 4754400 -104.304 -57.3228 -61.6926 -28.0481 -78.0385 -18.2727 -54.9299 -141.951 -24.7211 PRESSAVG: 4754400 5.96674 19.8749 1.0154 19.8748 1.86364 26.2663 1.01544 26.2664 43.3027 GPRESSAVG: 4754400 6.39064 17.093 -1.40726 19.7174 0.263702 26.2526 1.47168 28.4963 44.0329 TIMING: 4754400 CPU: 14112.7, 0.00290114/step Wall: 14112.7, 0.00290114/step, 0.197922 hours remaining, 210.128906 MB of memory in use. ENERGY: 4754400 796.1575 2110.3551 1932.0579 121.8736 -205750.8167 17541.6203 0.0000 0.0000 34362.3395 -148886.4129 300.0949 -183248.7524 -148786.4701 300.5391 -103.3311 -69.0213 557486.2457 17.0444 16.8957 PRESSURE: 4754600 -240.074 -23.2396 27.8835 -23.2405 81.3199 215.387 27.8834 215.386 -58.3916 GPRESSURE: 4754600 -185.097 -9.56711 -1.65239 -9.38875 113.816 135.061 -10.6086 209.428 -48.7235 PRESSAVG: 4754600 8.00379 -13.2726 -16.8423 -13.2726 -0.80189 11.6911 -16.8423 11.691 41.0234 GPRESSAVG: 4754600 7.99252 -10.7557 -17.3206 -11.8523 -0.299436 11.6006 -14.9007 11.9788 40.3556 TIMING: 4754600 CPU: 14113.2, 0.00290765/step Wall: 14113.2, 0.00290765/step, 0.198205 hours remaining, 210.128906 MB of memory in use. ENERGY: 4754600 765.1838 2113.8734 1929.4155 107.8675 -205987.9951 17679.2723 0.0000 0.0000 34402.4259 -148989.9569 300.4449 -183392.3827 -148901.7172 300.7067 -72.3820 -40.0016 557669.7231 16.0751 16.0162 PRESSURE: 4754800 -46.8137 21.6087 105.543 21.6088 12.3173 100.65 105.542 100.649 -63.7095 GPRESSURE: 4754800 -11.3828 80.7685 35.8821 -25.7744 37.4767 96.1092 89.9324 131.262 -30.9833 PRESSAVG: 4754800 -18.5323 -14.2495 -45.673 -14.2495 20.3164 60.6437 -45.673 60.6437 39.2772 GPRESSAVG: 4754800 -19.5535 -15.1129 -45.5605 -12.4185 20.3544 60.6541 -46.4119 59.6143 40.361 TIMING: 4754800 CPU: 14113.8, 0.00291136/step Wall: 14113.8, 0.00291136/step, 0.198296 hours remaining, 210.128906 MB of memory in use. ENERGY: 4754800 728.0132 2063.3868 1937.0632 124.8669 -206015.1183 17678.7172 0.0000 0.0000 34499.3208 -148983.7501 301.2911 -183483.0709 -148880.2145 299.7972 -32.7353 -1.6298 557627.8612 13.6871 13.7206 PRESSURE: 4755000 -91.0787 75.3251 26.8579 75.3263 44.4059 -46.8339 26.8581 -46.834 -14.31 GPRESSURE: 4755000 -2.67123 65.7692 19.4436 -11.1156 38.0893 -85.1244 112.946 -40.719 9.05732 PRESSAVG: 4755000 4.37986 13.0497 8.3259 13.0497 -36.9205 14.8808 8.32586 14.8807 53.3332 GPRESSAVG: 4755000 4.77115 14.4195 9.92079 10.7745 -36.3025 12.9917 9.58364 15.058 52.0516 TIMING: 4755000 CPU: 14114.4, 0.00292913/step Wall: 14114.4, 0.00292913/step, 0.199344 hours remaining, 210.128906 MB of memory in use. ENERGY: 4755000 765.6053 2042.2368 1933.5022 111.9350 -205915.4868 17721.5644 0.0000 0.0000 34306.3252 -149034.3180 299.6057 -183340.6432 -148933.2489 300.2947 -20.3276 14.8251 558480.8152 6.9308 6.8401 PRESSURE: 4755200 78.6528 -27.3722 164.669 -27.3713 143.036 163.896 164.667 163.898 -148.867 GPRESSURE: 4755200 145.659 -93.1317 197.382 -55.2944 155.624 117.957 138.09 133.147 -117.03 PRESSAVG: 4755200 -32.0615 -15.6068 -5.10515 -15.6069 17.0978 25.219 -5.10517 25.2191 46.062 GPRESSAVG: 4755200 -31.635 -17.3102 -6.48517 -15.9196 17.1133 27.188 -5.22735 24.984 45.4243 TIMING: 4755200 CPU: 14115, 0.00291502/step Wall: 14115, 0.00291502/step, 0.198221 hours remaining, 210.253906 MB of memory in use. ENERGY: 4755200 762.4074 2095.0021 1891.8685 108.4336 -206339.8565 18070.6552 0.0000 0.0000 34404.8240 -149006.6657 300.4659 -183411.4898 -148903.8875 299.6084 24.2740 61.4179 557753.0500 10.3661 10.3008 PRESSURE: 4755400 -155.029 69.6345 196.606 69.6327 -229.586 76.7408 196.605 76.7395 78.5611 GPRESSURE: 4755400 -119.197 55.5304 118.925 116.197 -182.212 31.1573 213.747 88.1997 92.6414 PRESSAVG: 4755400 -45.6006 17.5328 30.9353 17.5329 8.7973 -20.4594 30.9353 -20.4594 37.4116 GPRESSAVG: 4755400 -45.6415 16.9227 32.4737 18.4714 8.45857 -22.4927 30.0988 -21.2362 37.7409 TIMING: 4755400 CPU: 14115.6, 0.00292695/step Wall: 14115.6, 0.00292695/step, 0.19887 hours remaining, 210.253906 MB of memory in use. ENERGY: 4755400 730.0794 2085.6789 1933.3854 110.4250 -206369.8252 17923.4644 0.0000 0.0000 34369.7809 -149217.0113 300.1598 -183586.7922 -149119.3523 299.8067 -102.0179 -69.5890 559062.8984 0.2028 0.1860 PRESSURE: 4755600 -108.616 165.732 -86.5339 165.733 91.2861 7.05744 -86.5337 7.05779 132.851 GPRESSURE: 4755600 -92.0685 157.662 -78.824 83.3734 165.828 -26.5827 -44.3203 72.8334 134.231 PRESSAVG: 4755600 -31.6775 54.2009 39.4443 54.201 19.1314 3.42022 39.4443 3.42021 4.36334 GPRESSAVG: 4755600 -32.0015 52.2557 40.2746 53.7489 19.859 4.14741 39.6576 3.87916 4.09535 TIMING: 4755600 CPU: 14116.2, 0.0029475/step Wall: 14116.2, 0.0029475/step, 0.200102 hours remaining, 210.253906 MB of memory in use. ENERGY: 4755600 765.0318 2094.3432 1931.4793 103.9474 -206393.8541 17842.0347 0.0000 0.0000 34363.4090 -149293.6088 300.1042 -183657.0178 -149193.9594 299.2412 38.5070 69.3299 557979.2816 -2.7276 -2.6824 PRESSURE: 4755800 219.738 41.8138 -15.4635 41.8144 105.682 42.8953 -15.4647 42.8959 140.926 GPRESSURE: 4755800 195.697 37.1525 -51.9951 79.9975 161.212 49.6746 -127.818 -6.48916 203.486 PRESSAVG: 4755800 4.39483 -13.2033 38.8927 -13.2033 -28.4453 49.6848 38.8926 49.6847 20.1021 GPRESSAVG: 4755800 3.79595 -11.1942 38.4574 -13.2853 -30.4352 50.2586 37.6482 47.9634 23.3478 TIMING: 4755800 CPU: 14116.7, 0.0029253/step Wall: 14116.7, 0.0029253/step, 0.198433 hours remaining, 210.253906 MB of memory in use. ENERGY: 4755800 747.9681 2165.2528 1906.1461 117.5477 -206438.0114 18102.4990 0.0000 0.0000 34327.4796 -149071.1182 299.7904 -183398.5977 -148973.3475 299.5458 155.4487 186.7983 558285.3643 -1.3161 -1.0971 PRESSURE: 4756000 92.9362 -16.1877 -105.28 -16.1884 -3.9935 93.4355 -105.28 93.4347 183.75 GPRESSURE: 4756000 81.9281 4.67258 -99.6523 -99.2659 41.5241 -5.12437 -82.8554 117.977 240.823 PRESSAVG: 4756000 -25.0252 9.96986 10.2827 9.96987 -25.6735 -5.27781 10.2827 -5.27788 34.5008 GPRESSAVG: 4756000 -24.2178 10.1542 7.7394 8.6533 -24.9696 -5.55948 13.3292 -3.00751 33.2668 TIMING: 4756000 CPU: 14117.3, 0.00291294/step Wall: 14117.3, 0.00291294/step, 0.197432 hours remaining, 210.253906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4756000 787.0297 2080.8425 1907.1746 111.3238 -206467.0667 18046.4170 0.0000 0.0000 34225.8694 -149308.4096 298.9030 -183534.2790 -149212.3120 298.8057 90.8975 121.4252 556977.5885 -5.3993 -5.3068 PRESSURE: 4756200 320.572 21.646 168.65 21.6466 99.4464 -75.3525 168.65 -75.3512 52.319 GPRESSURE: 4756200 320.499 38.6832 158.796 77.5668 98.2749 -74.4575 174.297 -121.664 153.36 PRESSAVG: 4756200 -13.7568 -35.3759 -1.8376 -35.3758 -34.7427 -33.7559 -1.83749 -33.7559 17.9117 GPRESSAVG: 4756200 -12.1115 -33.6241 -0.0299563 -35.2848 -35.3319 -33.7637 -3.99335 -33.7722 17.0363 TIMING: 4756200 CPU: 14117.9, 0.00291824/step Wall: 14117.9, 0.00291824/step, 0.19763 hours remaining, 210.253906 MB of memory in use. ENERGY: 4756200 698.2000 2072.5588 1924.8044 119.8073 -206532.5027 18106.8979 0.0000 0.0000 34173.1342 -149437.1001 298.4425 -183610.2343 -149337.0505 299.3133 157.4457 190.7112 558272.0359 -10.1959 -10.1357 LDB: ============= START OF LOAD BALANCING ============== 14121.5 LDB: ============== END OF LOAD BALANCING =============== 14121.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14121.5 LDB: ============= START OF LOAD BALANCING ============== 14121.8 LDB: Largest compute 4801 load 0.020871 is 17.6% of average load 0.118275 LDB: Average compute 0.001737 is 1.5% of average load 0.118275 LDB: TIME 14121.8 LOAD: AVG 0.118275 MAX 0.194921 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.285 MB LDB: TIME 14121.8 LOAD: AVG 0.118275 MAX 0.194921 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.492 MB LDB: TIME 14121.8 LOAD: AVG 0.118275 MAX 0.194921 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.492 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14121.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14121.8 PRESSURE: 4756400 45.762 65.5713 101.009 65.5722 -216.346 86.4331 101.01 86.4339 3.64032 GPRESSURE: 4756400 76.7518 25.7295 82.508 80.2378 -165.05 109.24 121.876 31.5496 14.6879 PRESSAVG: 4756400 10.7822 -28.1605 9.1099 -28.1606 -15.3995 9.76279 9.11003 9.76274 -1.54862 GPRESSAVG: 4756400 8.96338 -29.1453 9.07056 -28.2862 -14.0954 8.78091 8.23537 8.34777 -1.11071 TIMING: 4756400 CPU: 14118.5, 0.00296986/step Wall: 14118.5, 0.00296986/step, 0.20096 hours remaining, 208.351562 MB of memory in use. ENERGY: 4756400 767.2851 2063.4725 1918.4497 116.4332 -206475.1106 17923.0196 0.0000 0.0000 34259.6639 -149426.7867 299.1982 -183686.4506 -149331.1243 298.7639 -55.6480 -24.5368 558261.7474 -2.0553 -2.0809 PRESSURE: 4756600 -321.471 -215.22 160.398 -215.219 -231.982 -155.626 160.397 -155.626 -105.525 GPRESSURE: 4756600 -259.649 -115.051 198.674 -232.121 -206.93 -113.443 124.186 -97.2305 -105.453 PRESSAVG: 4756600 10.4007 -60.0158 39.7627 -60.0159 -49.5647 -33.6326 39.7626 -33.6327 14.3794 GPRESSAVG: 4756600 10.9172 -60.5332 39.2886 -59.0137 -49.8992 -31.8813 38.9249 -32.7102 14.2651 TIMING: 4756600 CPU: 14119.1, 0.00290732/step Wall: 14119.1, 0.00290732/step, 0.196567 hours remaining, 208.351562 MB of memory in use. ENERGY: 4756600 772.1112 2065.0098 1905.2575 108.9764 -205762.6548 17497.8658 0.0000 0.0000 34015.9482 -149397.4860 297.0697 -183413.4342 -149297.6313 298.4582 -219.6592 -190.6773 558777.2186 -8.2615 -8.2390 PRESSURE: 4756800 3.85672 29.8392 -140.684 29.8393 126.167 364.093 -140.684 364.095 67.3468 GPRESSURE: 4756800 41.2946 50.0741 -173.183 -0.695567 115.3 289.983 -70.2273 376.126 126.205 PRESSAVG: 4756800 36.1645 10.1333 -36.4305 10.1333 -24.6002 -6.92539 -36.4304 -6.92545 10.8963 GPRESSAVG: 4756800 35.7727 9.76702 -35.756 9.89309 -24.1716 -7.52249 -36.1727 -7.91278 10.8287 TIMING: 4756800 CPU: 14119.7, 0.00292974/step Wall: 14119.7, 0.00292974/step, 0.19792 hours remaining, 208.351562 MB of memory in use. ENERGY: 4756800 754.9358 2065.2233 1890.8179 126.4968 -206601.5292 17979.7559 0.0000 0.0000 34125.0748 -149659.2246 298.0228 -183784.2994 -149557.7998 298.6403 65.7902 94.2667 556639.2917 7.4869 7.4766 PRESSURE: 4757000 -112.007 70.3866 265.194 70.3866 -329.667 -17.0493 265.194 -17.0485 -255.131 GPRESSURE: 4757000 -125.203 30.3857 280.977 77.7495 -256.724 -25.6599 283.859 -48.3083 -217.562 PRESSAVG: 4757000 21.484 -23.2444 -0.290931 -23.2443 25.2063 1.37981 -0.290787 1.3798 -36.0378 GPRESSAVG: 4757000 21.3563 -21.6771 -2.77361 -23.3532 25.7925 1.24644 1.96967 1.55635 -36.2045 TIMING: 4757000 CPU: 14120.3, 0.00296993/step Wall: 14120.3, 0.00296993/step, 0.200471 hours remaining, 208.351562 MB of memory in use. ENERGY: 4757000 724.8670 2092.3708 1914.3260 108.6907 -206080.1613 17523.0422 0.0000 0.0000 33888.1451 -149828.7195 295.9536 -183716.8646 -149733.8050 297.6817 -232.2685 -199.8299 558247.4735 3.5509 3.6481 PRESSURE: 4757200 -163.266 -31.9935 -71.1074 -31.9936 -44.7389 109.594 -71.1077 109.593 94.9734 GPRESSURE: 4757200 -141.505 -65.2861 -70.3187 -50.9634 -16.1024 58.9888 -141.868 153.495 145.279 PRESSAVG: 4757200 -90.0074 14.209 -6.12505 14.209 36.022 21.9726 -6.12514 21.9726 50.777 GPRESSAVG: 4757200 -89.344 13.9164 -3.50726 13.1753 35.5602 21.6246 -6.2243 23.2862 50.5966 TIMING: 4757200 CPU: 14120.9, 0.00293003/step Wall: 14120.9, 0.00293003/step, 0.197614 hours remaining, 208.351562 MB of memory in use. ENERGY: 4757200 771.5404 2042.0470 1927.3983 121.8681 -207062.6085 18155.8910 0.0000 0.0000 34108.1623 -149935.7015 297.8751 -184043.8638 -149835.7147 297.5523 -37.6770 -4.1095 557665.6351 -1.0694 -1.0624 PRESSURE: 4757400 -127.679 36.9109 -1.73948 36.9126 44.4109 -52.6502 -1.7406 -52.6504 -111.056 GPRESSURE: 4757400 -44.6453 140.157 32.2477 -54.6345 33.4878 -130.144 -16.7706 -104.178 -87.2276 PRESSAVG: 4757400 6.76384 -75.1862 -22.4856 -75.1861 -19.4657 41.2576 -22.4855 41.2576 -2.90053 GPRESSAVG: 4757400 5.93286 -75.46 -24.3675 -74.2065 -18.8477 43.5959 -22.4485 40.3672 -2.96048 TIMING: 4757400 CPU: 14121.4, 0.00293221/step Wall: 14121.4, 0.00293221/step, 0.197598 hours remaining, 208.351562 MB of memory in use. ENERGY: 4757400 732.6961 2032.3456 1946.9148 121.7723 -206988.0168 17941.7250 0.0000 0.0000 34233.6957 -149978.8673 298.9714 -184212.5630 -149881.4274 296.9448 -64.7746 -32.7950 556419.6991 -5.2008 -5.2918 PRESSURE: 4757600 -8.10452 -114.422 -31.9844 -114.422 164.93 -107.87 -31.9844 -107.87 62.3269 GPRESSURE: 4757600 39.3191 -108.464 -13.0729 -156.335 131.314 -104.991 -128.081 -232.039 143.464 PRESSAVG: 4757600 -22.6924 -27.7862 -22.3999 -27.7861 7.3265 46.5031 -22.3999 46.5032 -26.9293 GPRESSAVG: 4757600 -22.8527 -27.8375 -20.0371 -27.3036 8.11825 45.5793 -24.2928 44.0647 -27.434 TIMING: 4757600 CPU: 14122, 0.00295759/step Wall: 14122, 0.00295759/step, 0.199144 hours remaining, 208.351562 MB of memory in use. ENERGY: 4757600 704.5383 2056.9079 1950.3257 116.5596 -206513.5268 17798.4773 0.0000 0.0000 34023.2934 -149863.4246 297.1339 -183886.7180 -149763.7913 297.2285 73.0509 104.6993 555463.1341 -14.0984 -14.0561 PRESSURE: 4757800 -46.4199 -164.009 62.0804 -164.009 -184.576 -121.064 62.08 -121.063 30.5558 GPRESSURE: 4757800 37.5754 -190.944 4.57705 -107.806 -151.104 -139.292 62.7333 -26.9477 15.0513 PRESSAVG: 4757800 -24.8116 -63.8212 -2.16769 -63.8212 13.9782 -36.6969 -2.16766 -36.6969 19.5621 GPRESSAVG: 4757800 -24.1572 -64.219 -1.58251 -64.2353 13.4511 -36.0509 -4.44672 -34.4201 19.7853 TIMING: 4757800 CPU: 14122.6, 0.00296748/step Wall: 14122.6, 0.00296748/step, 0.199645 hours remaining, 208.351562 MB of memory in use. ENERGY: 4757800 794.9039 2141.1794 1915.9390 116.1551 -206619.6045 17813.7841 0.0000 0.0000 34211.2583 -149626.3846 298.7754 -183837.6430 -149524.7887 297.5307 -66.8135 -32.8258 555178.1856 2.9096 3.0264 PRESSURE: 4758000 85.8231 -101.025 103.439 -101.025 172.857 194.187 103.438 194.187 -80.6606 GPRESSURE: 4758000 96.4054 -29.8222 98.0027 -152.54 220.009 237.682 90.8319 146.712 -52.93 PRESSAVG: 4758000 19.9496 -3.76723 61.492 -3.76724 12.4518 37.2764 61.492 37.2764 -18.9209 GPRESSAVG: 4758000 21.7008 -3.83818 60.6077 -4.18556 10.5267 37.2212 63.7461 37.3501 -18.0474 TIMING: 4758000 CPU: 14123.2, 0.00299201/step Wall: 14123.2, 0.00299201/step, 0.20113 hours remaining, 208.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4758000 747.1466 2106.8671 1945.1387 124.5641 -206633.2431 17920.3634 0.0000 0.0000 34004.2172 -149784.9459 296.9673 -183789.1632 -149691.4379 298.0608 59.3397 87.8280 555403.2659 4.4935 4.7267 PRESSURE: 4758200 157.295 120.866 62.7569 120.868 -170.14 37.6531 62.7567 37.6533 213.63 GPRESSURE: 4758200 195.816 17.7529 157.266 140.823 -121.132 27.2701 154.951 39.212 221.668 PRESSAVG: 4758200 9.97469 -26.2885 90.6791 -26.2885 -36.3155 -14.3728 90.679 -14.3729 14.3344 GPRESSAVG: 4758200 8.56044 -26.2881 91.1697 -25.3679 -34.3708 -14.8067 90.7328 -12.942 13.7556 TIMING: 4758200 CPU: 14123.8, 0.00297304/step Wall: 14123.8, 0.00297304/step, 0.199689 hours remaining, 208.351562 MB of memory in use. ENERGY: 4758200 760.1907 2109.2277 1938.0171 103.5419 -206727.2804 17814.8490 0.0000 0.0000 34211.3997 -149790.0543 298.7767 -184001.4540 -149692.5001 298.1039 66.9284 98.7841 554889.6526 -4.0021 -4.0182 PRESSURE: 4758400 211.931 -47.3293 40.2271 -47.3298 282.223 -59.9362 40.226 -59.9367 -64.2889 GPRESSURE: 4758400 188.76 -32.334 35.7858 -51.5124 332.623 -69.0724 36.569 -109.414 9.87224 PRESSAVG: 4758400 35.975 -6.31779 30.8985 -6.31782 -34.6705 -25.0642 30.8984 -25.0643 7.42691 GPRESSAVG: 4758400 34.8696 -6.6979 30.0698 -6.05137 -34.4984 -25.3598 31.8081 -27.6158 8.72242 TIMING: 4758400 CPU: 14124.4, 0.00291986/step Wall: 14124.4, 0.00291986/step, 0.195955 hours remaining, 208.351562 MB of memory in use. ENERGY: 4758400 671.6369 2097.2826 1945.7692 105.2174 -206642.1888 17808.8435 0.0000 0.0000 34225.3554 -149788.0838 298.8985 -184013.4392 -149688.0276 297.8687 143.2882 177.0850 554279.9796 2.9105 3.0312 PRESSURE: 4758600 -1.08166 -14.6474 -40.2321 -14.6473 -92.639 53.1482 -40.232 53.1493 -8.4801 GPRESSURE: 4758600 64.1974 43.2659 -7.91596 -38.3906 -75.7299 68.4202 -59.2843 -54.1749 -4.48556 PRESSAVG: 4758600 -16.2563 13.0527 -18.6028 13.0527 79.3548 -33.4781 -18.603 -33.478 -80.9306 GPRESSAVG: 4758600 -15.1994 15.6798 -17.651 11.3201 79.1416 -32.7463 -19.3662 -32.3206 -82.0764 TIMING: 4758600 CPU: 14125, 0.00294656/step Wall: 14125, 0.00294656/step, 0.197583 hours remaining, 208.351562 MB of memory in use. ENERGY: 4758600 764.3349 2136.0976 1921.6463 106.1987 -206422.6174 17809.2176 0.0000 0.0000 33915.9719 -149769.1504 296.1966 -183685.1223 -149677.9448 297.5876 -34.0669 -5.3393 555602.8955 -5.9440 -6.0447 PRESSURE: 4758800 -314.442 -92.2786 -71.7242 -92.2797 -57.0462 42.2055 -71.7231 42.2056 -10.5021 GPRESSURE: 4758800 -289.36 -80.4507 -54.8145 -98.251 -22.4091 23.8637 -83.1171 95.8089 23.8349 PRESSAVG: 4758800 -12.9649 -27.014 -45.6484 -27.0139 -2.16847 -46.4661 -45.6484 -46.4662 6.98203 GPRESSAVG: 4758800 -13.3593 -28.8628 -46.7542 -25.9499 -2.06825 -46.0849 -43.7196 -47.2477 7.4643 TIMING: 4758800 CPU: 14125.6, 0.00293625/step Wall: 14125.6, 0.00293625/step, 0.196729 hours remaining, 208.351562 MB of memory in use. ENERGY: 4758800 716.3707 2109.1796 1903.4826 112.5325 -206487.0325 17641.2857 0.0000 0.0000 34556.1159 -149448.0655 301.7872 -184004.1813 -149348.0572 298.2019 -127.3301 -95.9779 557057.4549 -2.7171 -2.6544 PRESSURE: 4759000 52.1433 213.335 -130.633 213.335 -187.081 -65.117 -130.632 -65.1172 -119.442 GPRESSURE: 4759000 16.6047 196.519 -147.968 180.021 -118.014 -18.7604 -135.584 -118.034 -62.5743 PRESSAVG: 4759000 29.4275 -21.447 -24.3964 -21.447 27.6409 -2.65976 -24.3963 -2.65973 -32.2047 GPRESSAVG: 4759000 29.909 -20.6125 -25.019 -19.9222 27.5996 -3.00644 -25.7026 -2.04937 -32.3028 TIMING: 4759000 CPU: 14126.2, 0.00292873/step Wall: 14126.2, 0.00292873/step, 0.196062 hours remaining, 208.351562 MB of memory in use. ENERGY: 4759000 743.2109 2071.3894 1947.4533 109.4995 -206527.2087 17796.0099 0.0000 0.0000 34380.8744 -149478.7713 300.2567 -183859.6457 -149373.4349 299.1337 -84.7933 -54.6611 556567.2323 8.2879 8.4019 PRESSURE: 4759200 9.54234 31.7765 124.613 31.7763 -226.016 -107.314 124.612 -107.315 -327.051 GPRESSURE: 4759200 -8.70136 29.4386 116.847 81.7229 -104.055 -88.0346 111.002 -85.7333 -329.276 PRESSAVG: 4759200 -0.262761 -6.43014 -3.01989 -6.43014 -20.0233 -13.227 -3.01984 -13.227 24.3654 GPRESSAVG: 4759200 -0.402352 -7.14654 -4.18425 -8.53838 -19.4026 -13.8451 -4.42976 -13.1492 24.0231 TIMING: 4759200 CPU: 14126.8, 0.00294651/step Wall: 14126.8, 0.00294651/step, 0.197089 hours remaining, 208.351562 MB of memory in use. ENERGY: 4759200 764.1632 2091.0284 1947.8839 124.6540 -206413.0146 17705.9021 0.0000 0.0000 34249.3536 -149530.0293 299.1081 -183779.3829 -149438.4490 298.8962 -181.1749 -147.3443 556249.1607 1.3598 1.4060 PRESSURE: 4759400 -59.4177 -44.3182 72.8597 -44.3183 -121.555 131.099 72.8588 131.1 400.975 GPRESSURE: 4759400 9.17084 54.3542 108.496 -62.8346 -103.041 175.786 107.391 117.676 408.17 PRESSAVG: 4759400 21.885 -62.8157 -3.50125 -62.8157 -11.1735 49.1437 -3.50128 49.1438 -30.0892 GPRESSAVG: 4759400 20.8893 -61.9908 -3.59561 -63.4546 -11.0857 50.2568 -2.25843 46.3933 -29.5581 TIMING: 4759400 CPU: 14127.3, 0.00293708/step Wall: 14127.3, 0.00293708/step, 0.196295 hours remaining, 208.351562 MB of memory in use. ENERGY: 4759400 718.3948 2114.6112 1944.6813 111.9664 -206279.6420 17783.5331 0.0000 0.0000 34100.7228 -149505.7324 297.8101 -183606.4552 -149409.1919 298.3975 73.3339 104.7664 555603.6735 -6.4592 -6.5848 PRESSURE: 4759600 143.018 75.4181 -108.653 75.4179 10.9868 -72.83 -108.654 -72.8294 231.842 GPRESSURE: 4759600 117.492 145.902 -96.8793 84.3931 110.157 -87.5266 -149.657 -97.0627 262.746 PRESSAVG: 4759600 -18.1392 -8.33297 7.8132 -8.33299 -34.1217 0.648768 7.8131 0.648684 48.8852 GPRESSAVG: 4759600 -16.9537 -9.24865 10.2909 -4.48994 -34.9153 0.255852 8.30306 1.31092 49.0626 TIMING: 4759600 CPU: 14127.9, 0.00293998/step Wall: 14127.9, 0.00293998/step, 0.196325 hours remaining, 208.351562 MB of memory in use. ENERGY: 4759600 730.3948 2047.8268 1921.4452 107.1316 -206602.6159 18026.0473 0.0000 0.0000 33975.2031 -149794.5671 296.7139 -183769.7702 -149707.3827 297.7997 128.6155 163.4649 556973.9313 -1.1253 -0.9355 PRESSURE: 4759800 104.852 -71.7989 -166.628 -71.7977 200.703 85.9133 -166.628 85.9154 318.622 GPRESSURE: 4759800 189.251 -73.6613 -175.05 -67.6022 209.087 162.715 -31.6877 58.1046 315.793 PRESSAVG: 4759800 -7.72952 22.2401 24.8855 22.2401 3.58512 15.2139 24.8856 15.214 4.20465 GPRESSAVG: 4759800 -7.26049 21.5428 23.677 20.0503 3.6429 15.1584 25.9884 15.9174 3.86217 TIMING: 4759800 CPU: 14128.5, 0.00295556/step Wall: 14128.5, 0.00295556/step, 0.197202 hours remaining, 208.351562 MB of memory in use. ENERGY: 4759800 756.3101 2117.7232 1896.5447 97.1028 -206926.7562 18088.0155 0.0000 0.0000 34285.5684 -149685.4916 299.4244 -183971.0600 -149593.6837 297.2801 208.0591 238.0434 556364.6774 0.0201 0.0815 PRESSURE: 4760000 -20.5848 81.916 156.378 81.9169 -116.477 89.1302 156.378 89.1289 85.6567 GPRESSURE: 4760000 24.6294 101.514 -10.6463 107.969 -27.2066 34.7218 245.828 131.676 44.5296 PRESSAVG: 4760000 -11.5412 54.1762 -32.745 54.1761 -17.0215 0.118456 -32.745 0.118553 14.4867 GPRESSAVG: 4760000 -11.7489 52.5741 -33.4545 56.9616 -16.4208 -0.60599 -34.6996 2.42067 14.5782 TIMING: 4760000 CPU: 14129.1, 0.00295007/step Wall: 14129.1, 0.00295007/step, 0.196671 hours remaining, 208.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4760000 773.0211 2081.0961 1916.1066 104.4569 -206951.0210 18017.0673 0.0000 0.0000 34290.8518 -149768.4213 299.4705 -184059.2731 -149670.2973 298.5945 -17.1351 13.9841 555859.6601 -4.6920 -4.5305 PRESSURE: 4760200 -110.722 -74.0911 2.61546 -74.0916 -27.2783 28.3099 2.61526 28.3093 -270.189 GPRESSURE: 4760200 -100.078 -66.9663 30.7829 -49.9011 7.77243 -78.1906 21.1127 49.9445 -222.253 PRESSAVG: 4760200 67.1321 -19.3259 22.1718 -19.3259 -72.7603 13.2192 22.1718 13.2191 -2.5333 GPRESSAVG: 4760200 67.4751 -15.7352 21.7021 -21.7668 -73.3474 12.2561 22.5848 12.3146 -2.01247 TIMING: 4760200 CPU: 14129.7, 0.00294722/step Wall: 14129.7, 0.00294722/step, 0.196317 hours remaining, 208.351562 MB of memory in use. ENERGY: 4760200 773.3680 2093.4130 1925.0485 119.3026 -206553.0683 17866.4590 0.0000 0.0000 34036.9700 -149738.5072 297.2533 -183775.4772 -149643.4565 298.1523 -136.0631 -104.8531 557909.3586 -2.7205 -2.6282 LDB: ============= START OF LOAD BALANCING ============== 14133.2 LDB: ============== END OF LOAD BALANCING =============== 14133.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14133.2 LDB: ============= START OF LOAD BALANCING ============== 14133.5 LDB: Largest compute 4809 load 0.021138 is 17.9% of average load 0.118289 LDB: Average compute 0.001738 is 1.5% of average load 0.118289 LDB: TIME 14133.5 LOAD: AVG 0.118289 MAX 0.198336 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.828 MB LDB: TIME 14133.5 LOAD: AVG 0.118289 MAX 0.198336 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.031 MB LDB: TIME 14133.5 LOAD: AVG 0.118289 MAX 0.198336 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.031 MB LDB: ============== END OF LOAD BALANCING =============== 14133.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14133.6 PRESSURE: 4760400 66.5428 32.49 -141.85 32.4906 29.4219 9.5704 -141.851 9.57027 -206.054 GPRESSURE: 4760400 99.4416 106.799 -97.6989 -61.18 78.841 1.84741 -169.047 19.7901 -178.693 PRESSAVG: 4760400 84.604 -31.8873 4.79778 -31.8873 22.8077 -80.6523 4.79784 -80.6522 -104.475 GPRESSAVG: 4760400 84.1491 -30.8904 5.26531 -32.8806 22.6094 -80.671 5.3048 -81.519 -103.637 TIMING: 4760400 CPU: 14130.3, 0.00299213/step Wall: 14130.3, 0.00299213/step, 0.199143 hours remaining, 208.351562 MB of memory in use. ENERGY: 4760400 746.3735 2079.0993 1952.7163 104.9313 -207035.7871 18102.8957 0.0000 0.0000 34305.0413 -149744.7297 299.5945 -184049.7710 -149647.7387 298.0408 -36.6964 -0.1367 558488.7005 0.9790 1.0406 PRESSURE: 4760600 110.163 -159.808 -157.415 -159.809 -120.805 -24.309 -157.415 -24.3101 -148.052 GPRESSURE: 4760600 99.6697 -188.472 -137.051 -85.5753 -51.6336 14.0357 -157.586 -59.8696 -104.409 PRESSAVG: 4760600 19.4855 16.7484 -15.3978 16.7483 0.767406 44.5488 -15.3977 44.5489 21.9115 GPRESSAVG: 4760600 19.5442 15.6559 -12.9763 17.9405 1.95655 46.9204 -16.4262 40.7893 20.7048 TIMING: 4760600 CPU: 14130.9, 0.00294845/step Wall: 14130.9, 0.00294845/step, 0.196072 hours remaining, 208.351562 MB of memory in use. ENERGY: 4760600 766.9429 2078.7341 1919.5477 121.7028 -206837.3311 17938.8137 0.0000 0.0000 34271.8362 -149739.7536 299.3045 -184011.5898 -149642.7124 297.9222 -52.8981 -18.7909 557139.3496 14.0548 14.0685 PRESSURE: 4760800 -156.851 67.6643 155.357 67.6634 -158.869 59.3945 155.358 59.392 -126.673 GPRESSURE: 4760800 -114.94 137.735 206.022 91.0646 -79.8909 105.827 126.035 107.696 -166.592 PRESSAVG: 4760800 39.5548 43.2882 -71.4767 43.2882 -7.58369 3.68364 -71.4767 3.68365 -65.6966 GPRESSAVG: 4760800 40.7413 42.9676 -73.9358 44.2557 -8.35489 3.59825 -70.9271 7.88061 -65.4954 TIMING: 4760800 CPU: 14131.5, 0.0029443/step Wall: 14131.5, 0.0029443/step, 0.195632 hours remaining, 208.351562 MB of memory in use. ENERGY: 4760800 725.5441 2057.8090 1919.6418 121.2659 -206391.7493 17647.8587 0.0000 0.0000 34293.3662 -149626.2637 299.4925 -183919.6299 -149526.4852 298.2129 -147.4643 -120.4743 558670.6411 -11.2418 -11.0363 PRESSURE: 4761000 -198.16 123.419 -97.3467 123.419 -342.905 -19.4608 -97.3468 -19.4629 -469.625 GPRESSURE: 4761000 -192.639 123.393 -92.0859 55.1114 -327.901 -47.6102 -11.4995 51.8345 -389.138 PRESSAVG: 4761000 -44.3454 -0.073357 -17.5815 -0.073348 54.9818 67.3942 -17.5814 67.3941 -26.9495 GPRESSAVG: 4761000 -45.6592 -3.31967 -15.6034 -0.247082 55.5804 66.4704 -16.8664 67.585 -26.1225 TIMING: 4761000 CPU: 14132.1, 0.00291625/step Wall: 14132.1, 0.00291625/step, 0.193607 hours remaining, 208.351562 MB of memory in use. ENERGY: 4761000 738.3645 2076.0652 1922.5835 118.6842 -205655.2305 17239.0156 0.0000 0.0000 33950.0554 -149610.4621 296.4943 -183560.5175 -149506.5475 298.6519 -336.8965 -303.2262 558149.3603 -5.4377 -5.4004 PRESSURE: 4761200 53.4423 124.454 24.5664 124.455 -260.265 27.0958 24.5672 27.0956 106.848 GPRESSURE: 4761200 73.0172 73.9976 35.8637 159.85 -179.569 -4.33797 75.9714 -1.91775 106.49 PRESSAVG: 4761200 3.70528 76.762 -2.43693 76.7619 30.8857 26.3371 -2.43704 26.3371 -7.21166 GPRESSAVG: 4761200 4.68021 79.3146 -4.01821 74.7424 30.4389 26.0261 -3.41853 25.4347 -7.21069 TIMING: 4761200 CPU: 14132.7, 0.0029395/step Wall: 14132.7, 0.0029395/step, 0.194987 hours remaining, 208.351562 MB of memory in use. ENERGY: 4761200 784.9595 2056.4463 1938.5050 112.2248 -206502.9609 17837.8325 0.0000 0.0000 34173.6497 -149599.3430 298.4470 -183772.9927 -149501.9898 298.1214 -33.3248 -0.0205 556368.8605 9.1264 9.3028 PRESSURE: 4761400 261.554 -19.3139 3.45887 -19.3144 208.7 -68.79 3.45872 -68.7907 209.826 GPRESSURE: 4761400 322.912 -29.7505 -31.778 -4.3004 246.744 -76.2782 16.1568 -25.0645 195.939 PRESSAVG: 4761400 -27.8031 52.0437 15.436 52.0438 19.9841 10.8817 15.436 10.8817 -3.76313 GPRESSAVG: 4761400 -27.2366 52.901 16.1695 51.2009 20.382 12.2782 15.8115 9.09259 -5.11264 TIMING: 4761400 CPU: 14133.2, 0.00293254/step Wall: 14133.2, 0.00293254/step, 0.194362 hours remaining, 208.351562 MB of memory in use. ENERGY: 4761400 775.2265 2059.8279 1930.5295 114.1518 -206997.1754 18155.6907 0.0000 0.0000 34200.4793 -149761.2696 298.6813 -183961.7489 -149672.2540 298.2857 226.6933 255.1982 554900.8056 -3.8607 -3.9891 PRESSURE: 4761600 -61.3406 -3.87332 31.6905 -3.87223 -54.2835 134.424 31.6906 134.427 -143.067 GPRESSURE: 4761600 24.1572 2.50387 31.8891 -13.4333 -25.4764 174.289 -43.6888 110.038 -148.178 PRESSAVG: 4761600 57.1627 -34.7406 -13.9851 -34.7407 6.79354 -7.32822 -13.9851 -7.32799 -54.1804 GPRESSAVG: 4761600 56.7101 -35.8687 -13.1354 -32.3199 5.70945 -10.3206 -14.3589 -4.98067 -52.0114 TIMING: 4761600 CPU: 14133.8, 0.00293575/step Wall: 14133.8, 0.00293575/step, 0.194412 hours remaining, 208.351562 MB of memory in use. ENERGY: 4761600 701.4464 2047.0407 1930.7280 117.1908 -206318.4629 17729.6077 0.0000 0.0000 34007.4815 -149784.9676 296.9958 -183792.4491 -149689.2491 297.6230 -86.2305 -49.8325 556289.5031 3.2586 3.4694 PRESSURE: 4761800 41.0544 112.668 -64.1168 112.668 72.8613 63.2883 -64.1169 63.288 -188.658 GPRESSURE: 4761800 57.3454 95.7991 -39.1948 181.017 134.731 25.0333 -65.4111 60.9062 -182.973 PRESSAVG: 4761800 -34.5186 -27.5794 3.08485 -27.5794 58.3656 55.8243 3.0848 55.8244 -4.2614 GPRESSAVG: 4761800 -34.1659 -28.4604 1.33378 -27.9189 57.8415 56.9143 4.15685 53.3506 -3.55712 TIMING: 4761800 CPU: 14134.4, 0.00294671/step Wall: 14134.4, 0.00294671/step, 0.194974 hours remaining, 208.351562 MB of memory in use. ENERGY: 4761800 778.0215 2086.6547 1908.9624 109.3618 -206793.0007 18005.9196 0.0000 0.0000 34112.4085 -149791.6722 297.9121 -183904.0807 -149701.9762 297.0819 -24.9140 3.0346 556597.5628 6.5285 6.7062 PRESSURE: 4762000 79.3846 -30.4281 -7.39292 -30.4268 -109.197 -132.085 -7.39428 -132.085 -159.298 GPRESSURE: 4762000 91.874 70.806 47.3221 -1.18945 -85.3384 -110.535 16.2161 -63.8957 -108.46 PRESSAVG: 4762000 -20.269 -36.4136 23.4695 -36.4135 28.9032 19.3611 23.4695 19.3611 -77.82 GPRESSAVG: 4762000 -19.6661 -33.8176 23.5021 -38.6081 29.4352 21.8321 25.3458 17.5834 -78.9971 TIMING: 4762000 CPU: 14135, 0.00295554/step Wall: 14135, 0.00295554/step, 0.195394 hours remaining, 208.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4762000 741.5620 2089.6043 1933.4007 106.3959 -206634.4315 17876.6179 0.0000 0.0000 34057.1489 -149829.7018 297.4296 -183886.8507 -149733.7680 297.3699 -63.0370 -33.9747 557256.3434 -23.0619 -23.0760 PRESSURE: 4762200 63.2546 1.899 -88.2466 1.89812 -84.7681 210.164 -88.2467 210.165 15.1086 GPRESSURE: 4762200 28.8315 -44.7421 -50.3677 96.1647 -19.964 189.375 -58.28 173.154 70.4012 PRESSAVG: 4762200 12.1487 4.62256 21.6339 4.62254 -31.2304 26.0118 21.6338 26.0117 45.288 GPRESSAVG: 4762200 11.5227 4.31093 22.0388 6.66526 -31.156 24.6371 19.7285 27.4673 46.2871 TIMING: 4762200 CPU: 14135.6, 0.0029507/step Wall: 14135.6, 0.0029507/step, 0.19491 hours remaining, 208.351562 MB of memory in use. ENERGY: 4762200 739.2561 2107.2202 1958.3684 111.5517 -206771.3664 17940.6432 0.0000 0.0000 34092.2802 -149822.0466 297.7364 -183914.3268 -149726.9590 297.9763 -2.1350 26.4229 557194.0175 8.7354 8.8846 PRESSURE: 4762400 133.935 22.0771 -143.618 22.0756 118.09 -81.9225 -143.618 -81.9237 -106.409 GPRESSURE: 4762400 154.978 -72.293 -137.529 83.3803 127.43 -74.9284 -109.82 -15.7179 -48.835 PRESSAVG: 4762400 1.50513 33.5853 11.1557 33.5853 -28.3841 -33.8491 11.1556 -33.8491 16.0631 GPRESSAVG: 4762400 1.48294 34.0206 11.5191 33.7116 -27.911 -34.7697 11.2478 -32.5254 16.0701 TIMING: 4762400 CPU: 14136.2, 0.00293488/step Wall: 14136.2, 0.00293488/step, 0.193702 hours remaining, 208.351562 MB of memory in use. ENERGY: 4762400 749.1087 2094.2717 1939.6908 107.1191 -206932.2495 17971.4560 0.0000 0.0000 34399.0487 -149671.5544 300.4154 -184070.6031 -149575.1025 298.1233 48.5388 77.8578 555963.2697 -3.6053 -3.4526 PRESSURE: 4762600 -31.3521 61.6104 59.8065 61.6117 14.596 23.8759 59.8071 23.8755 100.711 GPRESSURE: 4762600 -0.237029 94.8605 59.6128 -59.2918 64.383 -16.3515 92.4895 -47.2125 107.346 PRESSAVG: 4762600 -34.5269 17.0946 54.6426 17.0946 -15.6439 -17.1739 54.6427 -17.174 31.3609 GPRESSAVG: 4762600 -34.2683 16.2383 54.8171 15.9933 -15.3752 -14.8435 53.3789 -20.4016 31.313 TIMING: 4762600 CPU: 14136.8, 0.00292312/step Wall: 14136.8, 0.00292312/step, 0.192763 hours remaining, 208.351562 MB of memory in use. ENERGY: 4762600 731.5817 2114.7014 1920.0434 110.2438 -206436.0096 17838.1965 0.0000 0.0000 34000.2691 -149720.9737 296.9328 -183721.2428 -149623.3629 297.4245 27.9851 57.1638 556869.4926 -6.2700 -6.1102 PRESSURE: 4762800 32.6511 66.7387 18.7512 66.7395 -146.066 -74.1261 18.7522 -74.1264 1.70176 GPRESSURE: 4762800 88.0368 53.8412 49.9922 54.2564 -70.5838 -111.616 21.5896 -81.4414 -33.2683 PRESSAVG: 4762800 62.578 26.5711 41.3162 26.571 44.4663 36.1765 41.3162 36.1765 -20.066 GPRESSAVG: 4762800 63.1633 26.0121 41.6876 26.1983 44.5311 34.7714 43.012 36.7517 -20.2791 TIMING: 4762800 CPU: 14137.4, 0.00292879/step Wall: 14137.4, 0.00292879/step, 0.192975 hours remaining, 208.351562 MB of memory in use. ENERGY: 4762800 734.6294 2097.9487 1941.5515 105.2735 -206507.6166 17973.7819 0.0000 0.0000 34141.9487 -149512.4828 298.1701 -183654.4315 -149410.2948 298.2227 -37.2376 -5.2718 557637.1390 28.9928 29.1384 PRESSURE: 4763000 -291.484 -12.1337 -87.7067 -12.1339 -147.252 -11.1 -87.7065 -11.1015 -129.587 GPRESSURE: 4763000 -211.384 -14.4827 -92.0407 54.8608 -160.896 -89.2872 -38.3801 72.6858 -100.789 PRESSAVG: 4763000 9.60766 -26.7042 10.2473 -26.7042 83.0099 -11.1302 10.2473 -11.1301 -67.224 GPRESSAVG: 4763000 9.63419 -24.4253 10.4538 -27.1011 82.5856 -14.1823 10.1696 -9.56641 -66.5479 TIMING: 4763000 CPU: 14137.9, 0.00291957/step Wall: 14137.9, 0.00291957/step, 0.192205 hours remaining, 208.351562 MB of memory in use. ENERGY: 4763000 757.0454 2110.4151 1924.1283 103.7852 -206203.6192 17577.4782 0.0000 0.0000 34128.0340 -149602.7330 298.0486 -183730.7670 -149508.5939 298.3485 -189.4411 -157.6898 556931.0870 8.4645 8.5573 PRESSURE: 4763200 -63.4205 -75.7155 38.8558 -75.7154 118.2 44.9987 38.8555 45.001 -250.57 GPRESSURE: 4763200 -58.7358 -84.9394 39.3198 -28.9327 207.519 21.1247 84.8322 92.7966 -245.374 PRESSAVG: 4763200 -22.1742 50.3889 13.47 50.3888 62.1184 -33.0455 13.4701 -33.0455 -67.2183 GPRESSAVG: 4763200 -22.5607 49.5724 11.7332 49.9657 63.086 -31.1322 14.417 -31.72 -67.1965 TIMING: 4763200 CPU: 14138.5, 0.00292737/step Wall: 14138.5, 0.00292737/step, 0.192556 hours remaining, 208.351562 MB of memory in use. ENERGY: 4763200 733.1359 2060.3194 1915.9256 114.7126 -206328.4843 17756.4796 0.0000 0.0000 34051.2646 -149696.6466 297.3782 -183747.9112 -149598.3967 298.4998 -65.2637 -32.1970 557133.8709 -9.0913 -8.8904 PRESSURE: 4763400 177.237 47.2229 -77.8882 47.2224 36.0811 -62.3782 -77.8865 -62.3769 112.769 GPRESSURE: 4763400 186.038 20.8634 -85.3108 29.6381 42.5882 -70.2151 -81.1968 -41.0012 190.999 PRESSAVG: 4763400 -12.4418 48.8195 33.7242 48.8195 41.444 -34.634 33.7242 -34.6341 -2.38122 GPRESSAVG: 4763400 -11.6909 50.1655 35.7276 49.5066 40.9136 -32.6096 33.985 -36.1567 -2.38606 TIMING: 4763400 CPU: 14139.1, 0.00294159/step Wall: 14139.1, 0.00294159/step, 0.193328 hours remaining, 208.351562 MB of memory in use. ENERGY: 4763400 741.0565 2124.9668 1940.3648 116.8578 -206562.8355 18020.2881 0.0000 0.0000 34046.2745 -149573.0270 297.3346 -183619.3016 -149470.3773 296.8483 108.6957 139.8749 557287.2263 8.8737 8.9455 PRESSURE: 4763600 166.344 24.6881 128.583 24.6881 89.2389 -38.8289 128.583 -38.8289 166.254 GPRESSURE: 4763600 175.9 -3.78597 79.8439 105.374 170.298 -95.9672 123.67 -57.3064 151.994 PRESSAVG: 4763600 10.8496 -27.2372 -27.2933 -27.2372 1.64282 -2.27608 -27.2933 -2.27631 -6.39543 GPRESSAVG: 4763600 9.54824 -29.2337 -29.1824 -28.2766 2.01857 -2.04603 -28.1288 -1.84406 -5.9717 TIMING: 4763600 CPU: 14139.7, 0.00292724/step Wall: 14139.7, 0.00292724/step, 0.192222 hours remaining, 208.351562 MB of memory in use. ENERGY: 4763600 753.7496 2171.9563 1956.5194 99.7644 -206911.0161 18295.3191 0.0000 0.0000 34194.3979 -149439.3094 298.6282 -183633.7074 -149355.3367 298.4614 140.6123 166.0639 556898.6063 2.0323 1.8650 PRESSURE: 4763800 35.9129 -161.733 -31.0709 -161.733 96.9452 12.5601 -31.072 12.5613 104.624 GPRESSURE: 4763800 61.8666 -120.369 -29.7027 -226.227 146.378 -17.8748 11.1958 1.08141 118.455 PRESSAVG: 4763800 41.2387 -58.7858 7.75859 -58.7859 20.7752 15.904 7.75867 15.904 -44.8664 GPRESSAVG: 4763800 43.1557 -59.3259 9.44973 -59.7645 20.1496 15.4421 7.97195 14.8014 -45.5733 TIMING: 4763800 CPU: 14140.3, 0.00294506/step Wall: 14140.3, 0.00294506/step, 0.193229 hours remaining, 208.351562 MB of memory in use. ENERGY: 4763800 750.6380 2078.3518 1972.0025 120.5349 -206286.0616 17876.4857 0.0000 0.0000 34128.8411 -149359.2077 298.0557 -183488.0488 -149262.8518 298.5434 79.1607 108.9000 557084.0106 5.7158 5.9107 PRESSURE: 4764000 160.732 47.7329 -31.7455 47.7334 -193.923 81.1279 -31.7439 81.1279 -81.7787 GPRESSURE: 4764000 168.083 40.7509 -42.1951 38.2978 -207.544 57.3615 -43.4602 99.0941 19.9585 PRESSAVG: 4764000 64.0268 5.15817 27.0118 5.15803 -57.0993 -31.3776 27.0119 -31.3775 1.59789 GPRESSAVG: 4764000 63.8769 4.4037 26.067 8.24448 -56.4049 -31.2777 26.2124 -30.5262 1.22099 TIMING: 4764000 CPU: 14140.9, 0.00295276/step Wall: 14140.9, 0.00295276/step, 0.19357 hours remaining, 208.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4764000 779.5715 2102.0044 1910.5213 105.0996 -206278.2284 17759.5978 0.0000 0.0000 34355.4334 -149266.0006 300.0345 -183621.4340 -149167.2078 299.1882 -38.3232 -6.5008 557718.2437 2.8418 2.8977 PRESSURE: 4764200 -140.312 170.565 -58.2145 170.566 252.241 144.793 -58.2145 144.795 69.4381 GPRESSURE: 4764200 -45.3963 175.631 -49.7147 141.542 194.604 131.719 -95.6584 98.8524 130.733 PRESSAVG: 4764200 88.9798 57.2516 -21.9505 57.2516 -32.5345 30.1201 -21.9505 30.12 37.2353 GPRESSAVG: 4764200 89.1688 59.2896 -20.5062 55.4962 -32.0685 29.1924 -23.1129 29.0163 36.6075 TIMING: 4764200 CPU: 14141.5, 0.0029596/step Wall: 14141.5, 0.0029596/step, 0.193854 hours remaining, 208.351562 MB of memory in use. ENERGY: 4764200 738.0676 2071.7890 1929.5852 117.9637 -206339.5751 17807.8770 0.0000 0.0000 34420.7351 -149253.5574 300.6048 -183674.2925 -149159.3305 299.3131 60.4554 93.3135 556189.0524 31.2269 31.2359 LDB: ============= START OF LOAD BALANCING ============== 14145 LDB: ============== END OF LOAD BALANCING =============== 14145 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14145 LDB: ============= START OF LOAD BALANCING ============== 14145.3 LDB: Largest compute 4801 load 0.021103 is 17.8% of average load 0.118335 LDB: Average compute 0.001735 is 1.5% of average load 0.118335 LDB: TIME 14145.3 LOAD: AVG 0.118335 MAX 0.19692 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.121 MB LDB: TIME 14145.3 LOAD: AVG 0.118335 MAX 0.19692 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.125 MB LDB: TIME 14145.3 LOAD: AVG 0.118335 MAX 0.19692 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.125 MB LDB: ============== END OF LOAD BALANCING =============== 14145.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14145.3 PRESSURE: 4764400 7.95171 -16.282 -24.9966 -16.2826 49.8383 77.9507 -24.9966 77.9518 -159.316 GPRESSURE: 4764400 67.6794 51.9287 -163.462 14.5098 43.2384 20.668 -36.2027 79.5161 -109.318 PRESSAVG: 4764400 42.7179 -52.8248 -26.5056 -52.8248 -13.7896 22.0193 -26.5056 22.0192 5.78226 GPRESSAVG: 4764400 41.6968 -53.6856 -27.2254 -52.3168 -13.5619 22.2238 -24.3618 23.4147 6.85593 TIMING: 4764400 CPU: 14142.1, 0.00299845/step Wall: 14142.1, 0.00299845/step, 0.196232 hours remaining, 210.152344 MB of memory in use. ENERGY: 4764400 786.7941 2096.3151 1926.0222 122.1558 -206552.3089 17926.6049 0.0000 0.0000 34343.4335 -149350.9833 299.9297 -183694.4167 -149253.8974 299.0422 -33.8419 0.5333 556695.5017 11.5702 11.6636 PRESSURE: 4764600 -287.551 -110.984 -66.9719 -110.982 35.3981 41.3141 -66.9707 41.3135 91.7343 GPRESSURE: 4764600 -242.034 -130.786 -25.4835 -65.2386 65.6137 97.2364 -9.65505 80.0539 109.756 PRESSAVG: 4764600 5.41155 -26.7959 -0.301438 -26.7959 -47.4569 -4.32217 -0.301393 -4.32219 41.6035 GPRESSAVG: 4764600 6.19715 -25.9582 -2.25119 -25.9719 -47.9829 -2.45779 2.27367 -5.99413 41.5014 TIMING: 4764600 CPU: 14142.7, 0.00296405/step Wall: 14142.7, 0.00296404/step, 0.193816 hours remaining, 210.152344 MB of memory in use. ENERGY: 4764600 761.4651 2107.4129 1923.5620 118.9558 -206375.5733 17759.4554 0.0000 0.0000 34288.4314 -149416.2908 299.4494 -183704.7222 -149320.4417 299.3018 -53.4729 -22.2214 557559.4917 -0.1473 -0.0948 PRESSURE: 4764800 -135.312 -258.13 39.1041 -258.13 -53.9603 132.623 39.1042 132.623 95.3062 GPRESSURE: 4764800 -41.8871 -238.255 59.9996 -252.966 -38.4862 48.5515 5.99833 213.991 88.2743 PRESSAVG: 4764800 -17.4053 -90.9691 -30.5697 -90.9692 17.9851 -8.06293 -30.5697 -8.06303 6.82658 GPRESSAVG: 4764800 -16.4809 -89.3245 -29.7511 -93.3185 17.4387 -7.94394 -33.2471 -8.18737 6.5588 TIMING: 4764800 CPU: 14143.2, 0.00293268/step Wall: 14143.2, 0.00293268/step, 0.191602 hours remaining, 210.152344 MB of memory in use. ENERGY: 4764800 758.1744 2095.1617 1920.6051 118.0835 -206386.6346 17962.6815 0.0000 0.0000 34259.6440 -149272.2845 299.1980 -183531.9285 -149174.6419 299.3494 -31.3220 2.6337 557062.8509 2.4688 2.5055 PRESSURE: 4765000 -66.4165 -122.854 55.406 -122.856 109.65 -24.0753 55.406 -24.0755 -140.662 GPRESSURE: 4765000 -18.5546 -158.279 -71.909 -178.577 104.094 -25.8114 135.622 -15.0792 -81.4023 PRESSAVG: 4765000 -17.4057 -84.8667 -1.24199 -84.8668 -31.8868 9.26442 -1.24195 9.26438 52.5114 GPRESSAVG: 4765000 -18.5578 -87.9101 -0.0520556 -84.0931 -31.9089 9.85365 -3.07328 10.0853 53.5309 TIMING: 4765000 CPU: 14143.8, 0.00294591/step Wall: 14143.8, 0.00294591/step, 0.192303 hours remaining, 210.152344 MB of memory in use. ENERGY: 4765000 758.1659 2052.9065 1913.4267 104.1864 -206214.7866 17977.9732 0.0000 0.0000 34160.8691 -149247.2589 298.3354 -183408.1280 -149153.6515 299.0979 -32.4759 1.3789 558860.9572 1.0729 1.0214 PRESSURE: 4765200 -253.993 -100.646 74.7159 -100.648 37.6434 40.7371 74.7165 40.7387 -137.413 GPRESSURE: 4765200 -310.629 -105.555 60.8447 -78.2437 142.318 14.9324 106.295 -57.8266 -87.8773 PRESSAVG: 4765200 -65.9541 -10.5362 -21.8063 -10.5362 97.2168 32.4985 -21.8063 32.4985 -32.6392 GPRESSAVG: 4765200 -66.6213 -7.55427 -22.2261 -11.9407 98.9402 30.5279 -20.3593 34.3609 -33.8563 TIMING: 4765200 CPU: 14144.4, 0.00295084/step Wall: 14144.4, 0.00295084/step, 0.19246 hours remaining, 210.152344 MB of memory in use. ENERGY: 4765200 717.9347 2154.6308 1947.0107 115.8633 -205939.5597 17644.8456 0.0000 0.0000 34192.7284 -149166.5461 298.6136 -183359.2745 -149068.3795 298.9444 -117.9210 -85.3961 558524.3698 -0.4588 -0.5125 PRESSURE: 4765400 -49.6166 -97.5549 130.195 -97.5549 97.7748 129.728 130.194 129.729 -83.594 GPRESSURE: 4765400 -26.9778 -114.458 221.883 -99.9897 155.873 86.432 59.0972 164.123 -59.5891 PRESSAVG: 4765400 8.2857 -32.807 -18.9808 -32.8069 -33.1905 73.6139 -18.9807 73.614 7.59236 GPRESSAVG: 4765400 8.48576 -33.1081 -19.2178 -33.1532 -34.2602 71.9559 -17.9486 72.6027 8.51671 TIMING: 4765400 CPU: 14145, 0.00293333/step Wall: 14145, 0.00293333/step, 0.191156 hours remaining, 210.152344 MB of memory in use. ENERGY: 4765400 734.0270 2082.9621 1922.2614 115.7024 -206218.0469 18031.7132 0.0000 0.0000 34064.5889 -149266.7920 297.4945 -183331.3809 -149170.8141 298.9519 -11.8119 23.1021 559183.3232 -5.7708 -5.7526 PRESSURE: 4765600 -288.107 -114.658 118.914 -114.658 -166.9 2.60699 118.914 2.60694 -226.297 GPRESSURE: 4765600 -239.511 -142.671 147.269 -135.67 -136.133 29.6555 126.427 -75.7935 -217.976 PRESSAVG: 4765600 53.7229 -58.1495 52.0428 -58.1496 -14.5116 27.1104 52.0429 27.1102 -18.302 GPRESSAVG: 4765600 53.5636 -59.7915 52.0465 -57.2551 -14.5668 27.5277 49.7969 28.4526 -18.8455 TIMING: 4765600 CPU: 14145.6, 0.00291936/step Wall: 14145.6, 0.00291936/step, 0.190083 hours remaining, 210.152344 MB of memory in use. ENERGY: 4765600 706.5448 2093.6901 1932.9806 106.6793 -205755.1307 17474.8547 0.0000 0.0000 34235.7246 -149204.6565 298.9891 -183440.3811 -149102.3456 298.7427 -227.1013 -197.8735 559072.0774 6.9698 6.7171 PRESSURE: 4765800 -156.459 -65.4208 -65.8246 -65.4206 89.563 158.687 -65.8246 158.687 -156.099 GPRESSURE: 4765800 -102.002 -33.7471 -46.3617 -106.421 106.152 107.578 -48.1045 105.454 -125.624 PRESSAVG: 4765800 -16.3732 -16.7012 80.9183 -16.7013 -43.7713 15.8424 80.9182 15.8424 29.9156 GPRESSAVG: 4765800 -15.9008 -15.6755 80.8156 -15.3522 -44.0415 17.2703 80.9875 14.2483 30.2579 TIMING: 4765800 CPU: 14146.2, 0.00295113/step Wall: 14146.2, 0.00295113/step, 0.191987 hours remaining, 210.152344 MB of memory in use. ENERGY: 4765800 739.9544 2061.4285 1916.3181 108.1382 -205833.1946 17670.2846 0.0000 0.0000 34144.6324 -149192.4383 298.1936 -183337.0707 -149093.8275 299.1104 -74.3317 -40.4914 557673.0918 -10.0763 -9.8948 PRESSURE: 4766000 108.067 100.566 62.4353 100.565 55.5861 -52.95 62.4359 -52.9513 99.7764 GPRESSURE: 4766000 135.846 80.5769 -0.864792 150.017 96.7651 -18.429 43.249 -64.2821 132.84 PRESSAVG: 4766000 0.667775 -32.9724 -11.8987 -32.9723 -1.14159 -0.70524 -11.8986 -0.705187 18.0961 GPRESSAVG: 4766000 1.57122 -34.199 -11.7968 -32.7644 -0.263144 -2.12071 -12.3893 -0.799944 17.3175 TIMING: 4766000 CPU: 14146.8, 0.00294881/step Wall: 14146.8, 0.00294881/step, 0.191672 hours remaining, 210.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4766000 702.1707 2110.6640 1927.0722 111.8963 -206242.3706 17903.7655 0.0000 0.0000 34320.3604 -149166.4415 299.7282 -183486.8019 -149074.3188 300.1210 87.8099 121.8171 558443.8733 5.8741 6.2085 PRESSURE: 4766200 177.637 15.8396 -82.8664 15.8394 -60.2444 3.0058 -82.8665 3.00547 130.633 GPRESSURE: 4766200 267.108 4.847 -43.0664 -33.6577 -58.2046 36.0328 -13.3968 4.50981 140.796 PRESSAVG: 4766200 27.0051 -32.641 11.5339 -32.6411 8.20806 -11.2721 11.5339 -11.2722 -32.9071 GPRESSAVG: 4766200 28.1838 -31.1434 10.8679 -34.4021 7.515 -10.7586 12.505 -12.0453 -32.8322 TIMING: 4766200 CPU: 14147.4, 0.00292664/step Wall: 14147.4, 0.00292664/step, 0.190069 hours remaining, 210.152344 MB of memory in use. ENERGY: 4766200 740.1208 2120.8040 1935.5585 112.7997 -206171.6198 17805.5569 0.0000 0.0000 34325.3872 -149131.3927 299.7721 -183456.7799 -149035.7256 299.0298 82.6751 116.5666 557147.3460 0.7687 0.9555 PRESSURE: 4766400 -148.267 5.80915 2.70112 5.8115 -218.147 -70.799 2.70072 -70.8 16.4297 GPRESSURE: 4766400 -104.915 -21.0508 -95.0516 -16.5473 -194.111 -2.55436 79.1567 -151.308 36.4714 PRESSAVG: 4766400 78.4703 19.1993 -15.2671 19.1993 -44.6963 2.71749 -15.267 2.71741 6.07094 GPRESSAVG: 4766400 78.7021 18.4515 -13.2916 19.1575 -43.7872 2.05349 -15.2503 2.91734 5.61283 TIMING: 4766400 CPU: 14147.9, 0.00294039/step Wall: 14147.9, 0.00294039/step, 0.190799 hours remaining, 210.152344 MB of memory in use. ENERGY: 4766400 757.8011 2099.9624 1923.8101 120.0654 -205974.2227 17796.9828 0.0000 0.0000 34303.3452 -148972.2557 299.5796 -183275.6009 -148879.1754 299.6326 -116.6613 -87.5184 559203.9837 13.2817 13.5092 PRESSURE: 4766600 -173.85 66.7059 1.60143 66.7068 -387.933 47.7176 1.60121 47.7166 -146.181 GPRESSURE: 4766600 -155.776 102.789 -63.9813 13.1302 -340.442 82.4126 36.7678 -44.5377 -110.43 PRESSAVG: 4766600 -26.0059 -27.373 7.28041 -27.373 18.6983 25.9507 7.28041 25.9507 29.1298 GPRESSAVG: 4766600 -27.6072 -26.9766 8.14494 -27.8379 18.3421 27.8912 5.95292 26.7327 31.4229 TIMING: 4766600 CPU: 14148.5, 0.00294685/step Wall: 14148.5, 0.00294685/step, 0.191054 hours remaining, 210.152344 MB of memory in use. ENERGY: 4766600 786.3364 2118.4738 1908.1065 119.6294 -205763.9218 17637.6360 0.0000 0.0000 34215.0081 -148978.7316 298.8082 -183193.7397 -148882.9630 299.6303 -235.9878 -202.2159 560074.4720 7.2740 7.3859 PRESSURE: 4766800 -234.196 139.775 -113.431 139.774 -450.72 1.21923 -113.432 1.21828 -179.563 GPRESSURE: 4766800 -199.686 91.8567 -82.9833 240.211 -430.753 -9.85259 -110.398 -53.7829 -132.835 PRESSAVG: 4766800 14.4054 -4.33521 -39.8277 -4.33517 -38.4725 22.3594 -39.8277 22.3594 34.7062 GPRESSAVG: 4766800 15.2058 -4.97306 -40.5822 -3.85192 -38.7246 21.2655 -40.3177 22.9102 34.5072 TIMING: 4766800 CPU: 14149.1, 0.00294132/step Wall: 14149.1, 0.00294132/step, 0.190532 hours remaining, 210.152344 MB of memory in use. ENERGY: 4766800 763.0232 2078.0228 1913.6195 117.8149 -206191.1155 17700.7221 0.0000 0.0000 34785.6303 -148832.2827 303.7916 -183617.9130 -148732.6992 300.6556 -288.1596 -254.4246 559451.3920 3.5464 3.6628 PRESSURE: 4767000 -74.7834 62.9698 88.2524 62.9689 156.577 -47.5862 88.2525 -47.5856 -169.63 GPRESSURE: 4767000 23.2696 55.1208 52.3794 91.4209 157.336 -29.4798 31.3663 46.6133 -169.774 PRESSAVG: 4767000 21.9668 -30.0129 27.0446 -30.0128 -10.874 -17.4718 27.0447 -17.4719 -11.562 GPRESSAVG: 4767000 22.5485 -29.8429 23.8877 -28.3204 -10.8129 -17.6783 28.4397 -16.7621 -12.5071 TIMING: 4767000 CPU: 14149.7, 0.00294402/step Wall: 14149.7, 0.00294402/step, 0.190543 hours remaining, 210.152344 MB of memory in use. ENERGY: 4767000 728.2345 2166.5148 1944.6979 109.4729 -206125.6995 17831.2398 0.0000 0.0000 34367.9120 -148977.6276 300.1435 -183345.5396 -148878.3347 300.0910 -29.2790 3.6107 558343.9172 -0.1564 -0.2571 PRESSURE: 4767200 -141.077 -95.3347 -34.1714 -95.3345 187.438 15.5371 -34.1735 15.5358 330.108 GPRESSURE: 4767200 -146.843 -154.323 -44.4564 -172.761 197.906 83.9778 83.2602 -25.8847 410.379 PRESSAVG: 4767200 10.5501 -52.5159 30.0572 -52.5159 -55.878 -26.7461 30.0572 -26.7462 47.9071 GPRESSAVG: 4767200 9.25659 -51.5507 31.5653 -55.153 -55.6476 -27.7138 31.2059 -27.1582 48.6443 TIMING: 4767200 CPU: 14150.3, 0.00294234/step Wall: 14150.3, 0.00294234/step, 0.190271 hours remaining, 210.152344 MB of memory in use. ENERGY: 4767200 742.2612 2163.8548 1898.9600 115.6254 -206403.9500 18069.7144 0.0000 0.0000 34331.2917 -149082.2426 299.8237 -183413.5343 -148985.6096 300.7376 125.4897 153.8139 557013.0303 0.8598 0.7511 PRESSURE: 4767400 250.037 86.148 66.6642 86.1468 -23.777 116.054 66.6647 116.052 -45.0366 GPRESSURE: 4767400 282.222 120.696 21.2297 88.4048 -17.4322 52.9121 28.8964 214.833 16.6738 PRESSAVG: 4767400 -38.805 -23.5625 -45.1134 -23.5626 48.0537 -59.8954 -45.1134 -59.8954 -12.7001 GPRESSAVG: 4767400 -37.5741 -23.1014 -44.6578 -23.1123 47.5533 -57.7117 -48.5612 -61.569 -13.4197 TIMING: 4767400 CPU: 14150.9, 0.00293468/step Wall: 14150.9, 0.00293468/step, 0.189613 hours remaining, 210.152344 MB of memory in use. ENERGY: 4767400 775.4838 2145.9346 1921.3333 115.5342 -205993.9482 17748.9857 0.0000 0.0000 34270.8701 -149015.8065 299.2960 -183286.6766 -148924.4562 299.7951 60.4077 93.8212 556030.7165 -1.1505 -1.1468 PRESSURE: 4767600 -107.954 41.7863 -139.664 41.7857 30.64 -71.8787 -139.664 -71.8783 -121.752 GPRESSURE: 4767600 -21.4404 26.5771 -71.9333 41.82 39.4686 -54.8574 -64.8462 -21.8727 -112.019 PRESSAVG: 4767600 -33.6625 -42.7751 -40.6012 -42.775 32.6157 24.5941 -40.6012 24.5941 -13.844 GPRESSAVG: 4767600 -33.9093 -44.1574 -39.372 -42.0908 33.0177 22.4171 -36.7847 27.2835 -13.4668 TIMING: 4767600 CPU: 14151.5, 0.00295485/step Wall: 14151.5, 0.00295485/step, 0.190752 hours remaining, 210.152344 MB of memory in use. ENERGY: 4767600 757.5944 2116.9423 1919.9242 109.0814 -206322.3865 17804.3594 0.0000 0.0000 34575.2240 -149039.2608 301.9540 -183614.4848 -148948.7721 300.4343 -66.3554 -31.3303 557128.3519 -4.9636 -4.7861 PRESSURE: 4767800 -166.451 -19.6078 7.8764 -19.607 -174.59 -48.2089 7.87679 -48.2087 -83.8185 GPRESSURE: 4767800 -169.851 5.45629 87.853 -52.675 -108.617 -66.5575 -61.1527 -103.392 -44.2079 PRESSAVG: 4767800 -42.0547 5.07601 20.038 5.07599 23.9772 -32.0709 20.038 -32.071 27.1008 GPRESSAVG: 4767800 -43.4522 4.14168 20.3292 5.37657 24.6642 -29.9109 18.8842 -33.5264 27.129 TIMING: 4767800 CPU: 14152.1, 0.00298148/step Wall: 14152.1, 0.00298148/step, 0.192305 hours remaining, 210.152344 MB of memory in use. ENERGY: 4767800 772.0371 2080.7560 1915.3720 125.0266 -205866.6855 17541.6717 0.0000 0.0000 34480.2556 -148951.5664 301.1246 -183431.8220 -148851.2521 300.5156 -141.6196 -107.5587 555957.3547 3.0078 2.7803 PRESSURE: 4768000 42.7209 -77.612 41.1698 -77.6134 -69.9208 -84.1287 41.1697 -84.1265 -12.4815 GPRESSURE: 4768000 135.282 -95.8182 30.4386 -65.6236 -2.72343 -188.127 20.5508 -12.7608 -61.3247 PRESSAVG: 4768000 20.0218 14.2131 61.7014 14.2131 35.7973 5.24573 61.7015 5.24577 -6.1629 GPRESSAVG: 4768000 21.3319 17.5296 60.9236 12.3509 36.254 3.25574 61.2648 5.26328 -7.88474 TIMING: 4768000 CPU: 14152.7, 0.00294634/step Wall: 14152.7, 0.00294634/step, 0.189875 hours remaining, 210.152344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4768000 777.9117 2102.8364 1926.0886 102.4360 -206028.8359 17835.4292 0.0000 0.0000 34240.6972 -149043.4368 299.0325 -183284.1340 -148950.8728 300.0981 -13.2272 23.7448 557256.1289 16.5521 16.5671 PRESSURE: 4768200 -219.313 47.4929 5.6975 47.493 -240.288 -99.476 5.69629 -99.4775 71.1735 GPRESSURE: 4768200 -166.098 -58.5739 41.759 18.7221 -241.889 -66.5054 -11.5063 -81.1027 120.795 PRESSAVG: 4768200 20.1319 4.5335 40.1095 4.53351 -3.74302 -26.9138 40.1094 -26.9137 -49.5121 GPRESSAVG: 4768200 20.2872 2.95621 39.122 6.12722 -3.79496 -25.6007 37.8435 -29.3925 -49.1059 TIMING: 4768200 CPU: 14153.3, 0.00293922/step Wall: 14153.3, 0.00293922/step, 0.189253 hours remaining, 210.152344 MB of memory in use. ENERGY: 4768200 720.6636 2153.4427 1914.7214 119.2697 -206125.5685 17808.3948 0.0000 0.0000 34302.5317 -149106.5446 299.5725 -183409.0763 -149006.4058 300.1121 -129.4759 -95.7307 558506.9198 -11.0411 -10.8712 LDB: ============= START OF LOAD BALANCING ============== 14156.8 LDB: ============== END OF LOAD BALANCING =============== 14156.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14156.8 LDB: ============= START OF LOAD BALANCING ============== 14157.1 LDB: Largest compute 4801 load 0.022140 is 18.7% of average load 0.118233 LDB: Average compute 0.001737 is 1.5% of average load 0.118233 LDB: TIME 14157.1 LOAD: AVG 0.118233 MAX 0.197698 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.164 MB LDB: TIME 14157.1 LOAD: AVG 0.118233 MAX 0.197698 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.164 MB LDB: TIME 14157.1 LOAD: AVG 0.118233 MAX 0.197698 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.164 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14157.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14157.1 PRESSURE: 4768400 -64.8143 31.2908 -54.0977 31.2901 -435.592 22.2646 -54.0986 22.2664 -271.928 GPRESSURE: 4768400 -78.7936 45.9229 5.95602 -28.3516 -389.762 2.46372 -60.3994 -17.3127 -219.751 PRESSAVG: 4768400 18.6761 84.8176 -1.09297 84.8176 -30.5768 -24.2129 -1.09297 -24.213 22.8672 GPRESSAVG: 4768400 17.738 84.9909 -0.482074 83.2543 -30.396 -24.7906 2.18494 -21.9504 23.8772 TIMING: 4768400 CPU: 14153.9, 0.00301736/step Wall: 14153.9, 0.00301736/step, 0.194117 hours remaining, 210.089844 MB of memory in use. ENERGY: 4768400 684.6539 2126.2955 1918.8521 120.1051 -205354.4462 17281.1515 0.0000 0.0000 34106.6442 -149116.7439 297.8618 -183223.3880 -149017.9556 299.5139 -257.4450 -229.4356 559563.4972 3.6555 3.7397 PRESSURE: 4768600 -1.88456 153.286 10.0771 153.285 35.0607 103.036 10.0773 103.037 149.615 GPRESSURE: 4768600 59.0607 116.492 -44.9881 168.877 41.1367 167.651 -59.5026 46.5305 178.594 PRESSAVG: 4768600 -13.2046 46.6746 12.9121 46.6746 -26.4212 13.7841 12.9122 13.7841 27.3141 GPRESSAVG: 4768600 -13.664 45.694 11.8599 46.7257 -26.4735 15.2267 11.9252 14.0038 27.8872 TIMING: 4768600 CPU: 14154.4, 0.00294615/step Wall: 14154.4, 0.00294614/step, 0.189372 hours remaining, 210.160156 MB of memory in use. ENERGY: 4768600 784.0612 2116.8570 1906.9450 104.5833 -206400.7946 17899.8638 0.0000 0.0000 34449.7618 -149138.7225 300.8583 -183588.4843 -149038.7305 299.6149 60.9303 92.9303 556845.3555 -4.1039 -4.0834 PRESSURE: 4768800 -164.01 -70.4169 186.235 -70.4178 -47.3147 -121.306 186.236 -121.307 44.1618 GPRESSURE: 4768800 -116.169 -24.3467 195.645 -49.437 -49.5592 -83.0061 168.065 -86.221 85.9366 PRESSAVG: 4768800 -42.619 -6.33637 56.9674 -6.33641 -34.4552 50.6527 56.9674 50.6527 66.946 GPRESSAVG: 4768800 -41.9607 -5.10072 59.1644 -6.29345 -34.3243 50.7825 55.632 50.4197 66.1195 TIMING: 4768800 CPU: 14155, 0.00296335/step Wall: 14155, 0.00296335/step, 0.190313 hours remaining, 210.160156 MB of memory in use. ENERGY: 4768800 732.9183 2129.9117 1902.6620 131.0054 -206116.0213 17803.2368 0.0000 0.0000 34367.6026 -149048.6845 300.1408 -183416.2870 -148950.8311 299.2469 -55.7210 -26.5973 557967.0422 -3.3761 -3.3885 PRESSURE: 4769000 21.6314 -4.33567 136.271 -4.33576 22.2126 -29.1484 136.273 -29.1477 82.62 GPRESSURE: 4769000 20.7378 18.7071 241.142 58.9144 73.3505 -50.7763 130.891 0.164723 135.836 PRESSAVG: 4769000 -64.8828 -18.699 16.8349 -18.6991 22.3545 35.592 16.8349 35.592 36.7954 GPRESSAVG: 4769000 -65.7742 -19.9733 15.4877 -18.7502 22.808 36.5183 17.8636 34.8061 37.2245 TIMING: 4769000 CPU: 14155.6, 0.00297103/step Wall: 14155.6, 0.00297103/step, 0.190641 hours remaining, 210.160156 MB of memory in use. ENERGY: 4769000 727.1381 2091.6330 1937.1712 104.6713 -205887.8372 17763.8880 0.0000 0.0000 34111.0179 -149152.3178 297.9000 -183263.3357 -149048.7777 299.4043 42.1546 76.6414 557803.6903 -1.9110 -1.9139 PRESSURE: 4769200 417.266 -111.48 61.0978 -111.481 337.368 -65.0485 61.0981 -65.0491 114.544 GPRESSURE: 4769200 448.568 -137.6 126.745 -129.29 341.042 36.2357 26.3558 -97.1375 170.228 PRESSAVG: 4769200 -20.4414 -8.17137 23.9821 -8.17118 -41.0575 -30.9405 23.9821 -30.9405 67.6598 GPRESSAVG: 4769200 -19.1457 -7.5496 25.8236 -7.00032 -41.61 -31.5472 21.6477 -29.3681 66.999 TIMING: 4769200 CPU: 14156.2, 0.00292926/step Wall: 14156.2, 0.00292926/step, 0.187798 hours remaining, 210.160156 MB of memory in use. ENERGY: 4769200 754.2779 2156.8544 1948.2806 113.4826 -206726.9120 18423.9042 0.0000 0.0000 34203.0932 -149127.0193 298.7041 -183330.1125 -149034.7630 299.6843 289.7259 319.9461 556586.4737 2.0536 2.0811 PRESSURE: 4769400 190.397 129.461 112.856 129.463 124.823 57.4498 112.855 57.4503 -53.475 GPRESSURE: 4769400 300.098 167.622 41.0937 86.0353 73.2349 8.47651 118.681 -27.2184 -18.8949 PRESSAVG: 4769400 -6.96041 -41.3281 40.5909 -41.3281 -42.275 19.7838 40.5908 19.7838 44.9317 GPRESSAVG: 4769400 -8.45642 -39.7111 38.4275 -42.586 -43.1661 19.2293 42.381 18.7876 46.5295 TIMING: 4769400 CPU: 14156.8, 0.00293168/step Wall: 14156.8, 0.00293168/step, 0.18779 hours remaining, 210.160156 MB of memory in use. ENERGY: 4769400 762.3694 2111.8276 1948.7476 120.3118 -206356.2725 17776.9187 0.0000 0.0000 34367.6866 -149268.4108 300.1416 -183636.0974 -149171.9346 299.4592 87.2484 118.1458 556386.8388 -1.4346 -1.6977 PRESSURE: 4769600 114.929 1.9323 -3.57077 1.93351 54.6149 -61.258 -3.56984 -61.2577 -325.17 GPRESSURE: 4769600 139.496 81.7573 -49.6371 -20.5347 65.9919 -120.458 15.6185 -46.5864 -271.686 PRESSAVG: 4769600 75.4662 -15.3469 46.9313 -15.3468 -39.6348 15.9312 46.9312 15.931 27.8737 GPRESSAVG: 4769600 75.0019 -15.5926 44.5483 -14.9144 -38.5854 14.5113 48.6138 17.0338 27.7246 TIMING: 4769600 CPU: 14157.4, 0.00294355/step Wall: 14157.4, 0.00294355/step, 0.188387 hours remaining, 210.160156 MB of memory in use. ENERGY: 4769600 737.3396 2066.7966 1909.4559 118.5464 -206046.1806 17597.4498 0.0000 0.0000 34261.4983 -149355.0940 299.2142 -183616.5923 -149254.9314 299.3116 -51.8755 -22.0661 556230.0114 21.2350 21.3803 PRESSURE: 4769800 150.733 -88.3649 -67.4352 -88.365 19.3355 -51.5484 -67.4357 -51.5493 5.91545 GPRESSURE: 4769800 200.134 -111.535 -81.2172 -85.6781 62.3448 -14.2688 12.9211 -49.6733 5.69912 PRESSAVG: 4769800 -2.12653 38.695 -27.4129 38.6949 -27.6282 88.8938 -27.4129 88.8939 28.5192 GPRESSAVG: 4769800 -1.04187 35.6205 -24.9151 41.0901 -27.5314 90.4237 -29.2074 86.8694 26.9067 TIMING: 4769800 CPU: 14158, 0.00293898/step Wall: 14158, 0.00293898/step, 0.187931 hours remaining, 210.160156 MB of memory in use. ENERGY: 4769800 761.2340 2188.2219 1904.1647 107.9006 -206497.4814 17945.1085 0.0000 0.0000 34238.6887 -149352.1630 299.0150 -183590.8517 -149251.6458 298.9055 58.6615 89.3925 557791.4942 -0.4118 -0.5555 PRESSURE: 4770000 142.524 -61.4328 92.1255 -61.4331 139.237 -64.3405 92.1258 -64.3388 243.595 GPRESSURE: 4770000 156.118 -8.84366 93.7159 -142.066 196.8 -110.735 150.117 -78.2882 282.641 PRESSAVG: 4770000 3.2513 -19.0782 -28.8571 -19.0783 16.369 23.7102 -28.8571 23.7103 -10.0619 GPRESSAVG: 4770000 3.85657 -18.0956 -29.8316 -20.9914 14.8003 23.3865 -28.6918 25.159 -9.48629 TIMING: 4770000 CPU: 14158.6, 0.00294572/step Wall: 14158.6, 0.00294572/step, 0.188199 hours remaining, 210.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4770000 735.6894 2091.8224 1953.8653 109.1380 -206566.5348 18055.8796 0.0000 0.0000 34189.5376 -149430.6026 298.5857 -183620.1402 -149335.3339 298.1779 175.1189 211.8530 557158.6747 3.1861 3.0568 PRESSURE: 4770200 -61.7847 15.4659 -201.257 15.4644 37.3071 -55.9894 -201.258 -55.9892 -148.023 GPRESSURE: 4770200 -31.1466 55.3023 -250.31 -27.7528 66.8572 -30.9507 -167.673 -59.9207 -110.26 PRESSAVG: 4770200 41.0515 10.2281 25.4092 10.2282 -9.07008 -39.2787 25.4092 -39.2786 8.06443 GPRESSAVG: 4770200 40.2022 11.9647 25.4491 9.868 -7.90853 -39.0146 25.8661 -39.6799 7.67861 TIMING: 4770200 CPU: 14159.2, 0.00294871/step Wall: 14159.2, 0.00294871/step, 0.188226 hours remaining, 210.160156 MB of memory in use. ENERGY: 4770200 739.0502 2150.8725 1932.7897 118.0394 -206284.7726 17808.8581 0.0000 0.0000 34187.9881 -149347.1746 298.5722 -183535.1627 -149249.1438 298.4726 -57.5002 -24.8498 557731.0018 13.3486 13.3241 PRESSURE: 4770400 -175.154 231.783 120.408 231.784 -311.072 6.82302 120.407 6.82337 -157.788 GPRESSURE: 4770400 -37.1945 232.823 61.074 136.589 -369.135 -4.47274 192.682 0.58873 -146.332 PRESSAVG: 4770400 22.6027 15.1622 6.7004 15.1623 -27.5089 3.47055 6.70035 3.47056 38.3526 GPRESSAVG: 4770400 23.1199 15.5016 8.07428 15.7128 -27.4726 3.44975 6.27429 4.63737 37.2842 TIMING: 4770400 CPU: 14159.8, 0.00295148/step Wall: 14159.8, 0.00295148/step, 0.188239 hours remaining, 210.160156 MB of memory in use. ENERGY: 4770400 719.1968 2086.3837 1930.5178 111.5756 -205822.7987 17472.2170 0.0000 0.0000 34136.2549 -149366.6530 298.1204 -183502.9078 -149266.7813 298.5535 -214.6711 -184.2205 558451.6847 11.1488 10.9772 PRESSURE: 4770600 -334.33 37.3517 29.4417 37.3514 -152.294 -81.9966 29.4417 -81.996 -130.395 GPRESSURE: 4770600 -315.198 22.8671 -27.3965 14.1748 -123.845 -138.677 50.8941 -22.3547 -90.7145 PRESSAVG: 4770600 -30.7514 13.5585 -34.897 13.5586 33.1111 -13.9838 -34.8971 -13.9839 0.265649 GPRESSAVG: 4770600 -31.587 13.1932 -35.6679 13.0991 33.2126 -15.7918 -34.602 -13.2733 0.899653 TIMING: 4770600 CPU: 14160.3, 0.00297598/step Wall: 14160.3, 0.00297598/step, 0.189636 hours remaining, 210.160156 MB of memory in use. ENERGY: 4770600 771.3751 2085.1562 1937.3182 114.7934 -206194.2138 17685.6440 0.0000 0.0000 34130.7406 -149469.1864 298.0722 -183599.9270 -149370.1571 298.4522 -205.6731 -176.5860 558104.1559 0.8751 0.8417 PRESSURE: 4770800 -15.6538 12.7999 46.3431 12.8008 -173.344 -77.3228 46.3434 -77.3235 -79.954 GPRESSURE: 4770800 11.0492 19.601 21.1136 -23.9861 -136.18 -47.2506 3.40749 -85.7634 -47.8377 PRESSAVG: 4770800 -50.6333 -11.9019 -5.89875 -11.9019 -10.7627 57.6432 -5.89882 57.6433 39.77 GPRESSAVG: 4770800 -50.2075 -11.3448 -4.80278 -12.1027 -11.0282 59.7685 -5.9282 54.9403 39.7998 TIMING: 4770800 CPU: 14160.9, 0.00299447/step Wall: 14160.9, 0.00299447/step, 0.190648 hours remaining, 210.160156 MB of memory in use. ENERGY: 4770800 758.9257 2099.8354 1950.9413 105.7467 -206364.0073 17767.1075 0.0000 0.0000 34248.4510 -149432.9998 299.1002 -183681.4508 -149328.3969 298.5512 -89.6505 -57.6560 556657.0085 -7.2086 -7.1453 PRESSURE: 4771000 178.289 63.8035 119.016 63.8052 7.89378 -57.5368 119.016 -57.5371 -315.043 GPRESSURE: 4771000 196.93 63.5335 202.213 85.5498 -2.4139 -55.1823 6.27196 -46.7841 -226.715 PRESSAVG: 4771000 -39.8932 19.8404 20.1875 19.8405 -33.1441 -39.0863 20.1875 -39.0863 59.9256 GPRESSAVG: 4771000 -39.5851 21.973 20.6016 18.0153 -33.0967 -38.7877 19.0214 -38.938 59.7675 TIMING: 4771000 CPU: 14161.5, 0.00297995/step Wall: 14161.5, 0.00297995/step, 0.189558 hours remaining, 210.160156 MB of memory in use. ENERGY: 4771000 739.8813 2102.0108 1941.0963 111.2433 -206265.4636 17778.7445 0.0000 0.0000 34181.9449 -149410.5425 298.5194 -183592.4873 -149314.2950 299.0504 -42.9534 -10.7331 556360.2236 -4.3706 -4.3048 PRESSURE: 4771200 115.816 153.222 101.297 153.221 151.85 -113.562 101.298 -113.563 -2.8198 GPRESSURE: 4771200 156.335 60.4083 123.974 215.296 209.028 -58.9628 191.276 -125.716 -7.06549 PRESSAVG: 4771200 4.95729 -5.79903 39.0286 -5.79904 -37.9981 -48.0064 39.0287 -48.0064 41.1058 GPRESSAVG: 4771200 3.61171 -9.03289 37.8063 -3.00459 -37.4058 -48.4934 39.8684 -45.756 42.2776 TIMING: 4771200 CPU: 14162.1, 0.00295636/step Wall: 14162.1, 0.00295636/step, 0.187893 hours remaining, 210.160156 MB of memory in use. ENERGY: 4771200 761.8667 2087.0531 1918.4745 124.2107 -206195.1094 17721.6468 0.0000 0.0000 34287.6147 -149294.2429 299.4423 -183581.8576 -149202.4537 299.3054 88.2820 119.4327 556249.1176 2.6883 2.8278 PRESSURE: 4771400 -86.4911 -18.6993 59.7356 -18.6995 1.14295 -2.58481 59.7351 -2.58507 34.8535 GPRESSURE: 4771400 -55.6886 5.32121 20.7923 -62.2333 52.2151 -38.3437 71.1199 -9.65515 43.7429 PRESSAVG: 4771400 -32.0543 -30.731 64.6916 -30.7311 39.9927 -21.8533 64.6915 -21.8534 -50.4712 GPRESSAVG: 4771400 -31.1448 -32.0748 66.9272 -29.0155 40.0856 -22.5505 64.1914 -21.494 -51.3351 TIMING: 4771400 CPU: 14162.7, 0.00295056/step Wall: 14162.7, 0.00295056/step, 0.18736 hours remaining, 210.160156 MB of memory in use. ENERGY: 4771400 720.1505 2124.1021 1912.3092 111.2338 -206130.1568 17797.9691 0.0000 0.0000 33970.2932 -149494.0988 296.6710 -183464.3920 -149397.3161 298.4924 -16.8316 13.4232 557587.3136 -14.1776 -14.1314 PRESSURE: 4771600 328.873 -90.9718 -67.4664 -90.972 -301.205 -174.557 -67.4659 -174.557 -53.6743 GPRESSURE: 4771600 339.084 -54.3682 -14.4961 -82.2742 -240.721 -174.27 -72.9416 -204.055 -28.6225 PRESSAVG: 4771600 -19.0977 1.48833 -22.4684 1.48832 21.2273 18.4601 -22.4685 18.4599 -10.0614 GPRESSAVG: 4771600 -19.1419 4.75633 -24.9029 -3.26062 21.2652 17.7002 -21.4259 17.5097 -10.0353 TIMING: 4771600 CPU: 14163.3, 0.00294801/step Wall: 14163.3, 0.00294801/step, 0.187035 hours remaining, 210.160156 MB of memory in use. ENERGY: 4771600 769.7897 2092.4868 1914.3563 115.0397 -206480.6798 17848.4053 0.0000 0.0000 34245.9937 -149494.6083 299.0788 -183740.6020 -149404.9830 299.0606 -8.6687 23.2470 555750.6576 -2.6439 -2.6373 PRESSURE: 4771800 -125.927 44.6091 -183.575 44.6091 -6.63572 -59.5182 -183.575 -59.5182 -166.336 GPRESSURE: 4771800 -88.597 -30.5853 -244.235 16.3533 72.9541 0.643593 11.0696 -154.541 -178.303 PRESSAVG: 4771800 23.3773 -36.17 43.16 -36.1701 -48.0135 -14.3756 43.16 -14.3755 11.0019 GPRESSAVG: 4771800 23.3842 -36.7421 46.0714 -33.4373 -47.6942 -10.5253 42.425 -17.4993 10.6176 TIMING: 4771800 CPU: 14163.9, 0.00295534/step Wall: 14163.9, 0.00295534/step, 0.187336 hours remaining, 210.160156 MB of memory in use. ENERGY: 4771800 779.6895 2017.1702 1928.6580 111.4102 -206472.7751 17816.5668 0.0000 0.0000 34332.3584 -149486.9220 299.8330 -183819.2805 -149393.5451 298.0246 -99.6327 -64.6487 557172.6270 -4.5448 -4.5641 PRESSURE: 4772000 48.9475 -150.295 -21.5291 -150.295 43.3218 -8.69262 -21.5295 -8.69397 48.1351 GPRESSURE: 4772000 111.953 -137.061 -30.7118 -208.472 76.5542 -16.4692 -34.7623 30.6921 38.0249 PRESSAVG: 4772000 33.0152 -23.0085 34.9461 -23.0085 16.5553 25.1987 34.9461 25.1987 -89.8178 GPRESSAVG: 4772000 32.5896 -22.7486 32.39 -22.9701 15.5837 22.9062 34.8254 27.3711 -88.2853 TIMING: 4772000 CPU: 14164.5, 0.0029209/step Wall: 14164.5, 0.0029209/step, 0.18499 hours remaining, 210.160156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4772000 704.6740 2097.5519 1949.2157 108.4485 -206419.8898 17882.9896 0.0000 0.0000 34103.7682 -149573.2418 297.8367 -183677.0100 -149470.2059 298.5257 46.8015 75.5107 557047.9343 -13.4158 -13.3706 PRESSURE: 4772200 -15.7764 83.1193 81.0795 83.1191 -266.736 -94.5783 81.0791 -94.5778 43.1717 GPRESSURE: 4772200 -25.2804 131.469 19.8943 95.4705 -207.356 -14.6095 135.599 -137.26 82.3027 PRESSAVG: 4772200 23.9253 19.8108 41.7797 19.8108 -17.671 39.6832 41.7798 39.6833 -13.0969 GPRESSAVG: 4772200 24.7097 19.141 42.0737 18.5952 -18.2997 38.3466 42.6339 39.7843 -12.8481 TIMING: 4772200 CPU: 14165.1, 0.00292436/step Wall: 14165.1, 0.00292436/step, 0.185047 hours remaining, 210.160156 MB of memory in use. ENERGY: 4772200 744.0685 2095.2811 1951.3506 113.6436 -206494.2559 17819.5622 0.0000 0.0000 34155.2644 -149615.0855 298.2864 -183770.3499 -149520.4025 297.7123 -79.7801 -50.1112 556971.6998 -2.2809 -2.1460 LDB: ============= START OF LOAD BALANCING ============== 14168.6 LDB: ============== END OF LOAD BALANCING =============== 14168.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14168.6 LDB: ============= START OF LOAD BALANCING ============== 14168.9 LDB: Largest compute 4802 load 0.021386 is 18.1% of average load 0.118276 LDB: Average compute 0.001745 is 1.5% of average load 0.118276 LDB: TIME 14168.9 LOAD: AVG 0.118276 MAX 0.197087 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.055 MB LDB: TIME 14168.9 LOAD: AVG 0.118276 MAX 0.197087 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.055 MB LDB: TIME 14168.9 LOAD: AVG 0.118276 MAX 0.197087 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14168.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14168.9 PRESSURE: 4772400 -273.29 184.958 195.04 184.958 -240.566 -33.8204 195.039 -33.8204 -10.6514 GPRESSURE: 4772400 -195.288 111.538 206.026 202.038 -224.61 -81.0931 222.569 23.4115 -7.39746 PRESSAVG: 4772400 38.2994 34.4755 59.3502 34.4755 -6.4942 -5.49156 59.3502 -5.49157 24.3508 GPRESSAVG: 4772400 38.0149 36.5847 59.752 34.7497 -5.2513 -2.56183 57.4645 -7.04112 23.7027 TIMING: 4772400 CPU: 14165.7, 0.0029768/step Wall: 14165.7, 0.0029768/step, 0.1882 hours remaining, 209.378906 MB of memory in use. ENERGY: 4772400 807.6587 2103.9469 1913.7232 102.9680 -206216.7413 17625.4866 0.0000 0.0000 34115.9920 -149546.9659 297.9434 -183662.9579 -149449.7109 298.4553 -174.8360 -142.4319 558266.0296 18.7187 18.8221 PRESSURE: 4772600 -58.8589 66.0153 128.246 66.0156 160.17 -48.2824 128.245 -48.2809 -92.0006 GPRESSURE: 4772600 -44.498 16.8895 112.24 62.5119 208.199 -36.2701 112.357 34.0918 -61.1144 PRESSAVG: 4772600 34.5439 13.7589 3.84488 13.7589 -48.2435 -28.5417 3.84493 -28.5417 -22.9421 GPRESSAVG: 4772600 34.4234 13.6613 3.17557 15.7883 -48.2339 -30.447 5.24345 -27.3164 -22.6452 TIMING: 4772600 CPU: 14166.3, 0.0029316/step Wall: 14166.3, 0.0029316/step, 0.18518 hours remaining, 209.378906 MB of memory in use. ENERGY: 4772600 743.9979 1996.6589 1948.6480 119.2138 -206305.4244 17784.8676 0.0000 0.0000 34089.6801 -149622.3581 297.7137 -183712.0382 -149529.5572 297.8855 3.1037 34.1957 556669.8119 -12.2139 -12.1519 PRESSURE: 4772800 160.819 -46.6787 -85.6344 -46.6785 -68.9272 -35.6011 -85.6339 -35.5997 -10.9454 GPRESSURE: 4772800 181.983 -59.4937 -88.5792 -34.5486 -42.8277 -42.1558 -95.0958 -45.2012 32.4541 PRESSAVG: 4772800 26.9712 -0.480752 19.2864 -0.480756 52.1195 23.2675 19.2863 23.2676 -49.3468 GPRESSAVG: 4772800 27.0781 -2.1258 20.0579 -2.20851 52.2155 22.3799 19.0897 25.0113 -49.7018 TIMING: 4772800 CPU: 14166.8, 0.0029554/step Wall: 14166.8, 0.0029554/step, 0.186519 hours remaining, 209.378906 MB of memory in use. ENERGY: 4772800 705.0747 2102.1992 1951.8384 104.1311 -206152.4870 17679.3241 0.0000 0.0000 34067.7699 -149542.1497 297.5223 -183609.9196 -149437.5573 297.4686 26.9822 57.2033 556086.3926 9.9146 9.8639 PRESSURE: 4773000 10.5712 99.6573 -64.9457 99.657 27.541 131.419 -64.9468 131.421 184.431 GPRESSURE: 4773000 11.7318 111.465 -75.9554 71.6662 84.8975 151.595 34.2932 217.955 219.618 PRESSAVG: 4773000 63.8305 47.6894 -16.5831 47.6893 -24.5091 72.0185 -16.5831 72.0184 -35.5832 GPRESSAVG: 4773000 64.6922 49.0444 -15.4625 47.6972 -25.1016 71.4654 -18.7006 69.9402 -35.2601 TIMING: 4773000 CPU: 14167.4, 0.00296362/step Wall: 14167.4, 0.00296362/step, 0.186872 hours remaining, 209.378906 MB of memory in use. ENERGY: 4773000 741.1606 2083.1424 1943.8473 112.2142 -206497.7941 17934.7096 0.0000 0.0000 34147.6663 -149535.0536 298.2201 -183682.7199 -149435.3515 297.9977 74.1809 105.4157 554706.2169 1.2461 1.4435 PRESSURE: 4773200 -106.935 -16.1216 99.1991 -16.1219 321.064 -20.5861 99.1984 -20.5862 -20.7951 GPRESSURE: 4773200 -82.0802 14.9839 3.82181 -6.96754 385.52 -19.9995 89.4569 41.0895 -10.6674 PRESSAVG: 4773200 -56.4123 13.3518 -2.9683 13.3519 -19.4034 63.8825 -2.96829 63.8825 65.6388 GPRESSAVG: 4773200 -58.5738 12.4442 -4.52677 12.8914 -18.697 65.383 -0.210355 64.106 67.1685 TIMING: 4773200 CPU: 14168, 0.00295555/step Wall: 14168, 0.00295555/step, 0.1862 hours remaining, 209.378906 MB of memory in use. ENERGY: 4773200 765.1112 2106.5705 1921.6075 124.6724 -206612.7666 17961.7151 0.0000 0.0000 34306.3989 -149426.6910 299.6063 -183733.0899 -149329.7526 298.9273 64.4447 97.5908 555344.5383 -3.3923 -3.3674 PRESSURE: 4773400 77.763 102.95 168.259 102.949 303.334 -200.451 168.259 -200.452 -18.0458 GPRESSURE: 4773400 105.414 39.5809 214.328 100.655 383.295 -150.021 151.47 -122.38 -18.4799 PRESSAVG: 4773400 -73.4722 -8.54241 70.4248 -8.54244 16.7547 -20.6704 70.4248 -20.6703 33.489 GPRESSAVG: 4773400 -70.1581 -7.99321 71.2742 -7.04612 15.1713 -19.7037 71.6205 -21.5283 32.339 TIMING: 4773400 CPU: 14168.6, 0.00294198/step Wall: 14168.6, 0.00294198/step, 0.185182 hours remaining, 209.378906 MB of memory in use. ENERGY: 4773400 735.5907 2130.9743 1915.1031 111.1344 -206591.6263 17956.9666 0.0000 0.0000 34240.8790 -149500.9781 299.0341 -183741.8571 -149408.0030 298.0506 121.0170 156.7431 556155.4521 -7.7429 -7.5493 PRESSURE: 4773600 67.4284 163.874 107.935 163.874 -71.5209 -58.0973 107.935 -58.0969 -27.1641 GPRESSURE: 4773600 86.1096 157.127 37.9583 133.425 -33.6946 -72.0178 160.251 -23.0187 7.17462 PRESSAVG: 4773600 -33.0685 55.1146 13.1064 55.1146 54.4861 -30.7136 13.1064 -30.7136 -15.5721 GPRESSAVG: 4773600 -34.2676 54.3884 13.0023 54.4428 54.1582 -31.3137 13.0726 -31.145 -14.312 TIMING: 4773600 CPU: 14169.2, 0.00292559/step Wall: 14169.2, 0.00292559/step, 0.183987 hours remaining, 209.378906 MB of memory in use. ENERGY: 4773600 730.6492 2086.9917 1910.4508 115.6791 -206244.0453 17660.7923 0.0000 0.0000 34285.3281 -149454.1542 299.4223 -183739.4823 -149345.6963 297.8325 -10.4189 19.8632 556467.3624 1.9485 1.8595 PRESSURE: 4773800 -325.428 179.256 -16.2366 179.255 -313.466 -76.9164 -16.2349 -76.9164 -20.3718 GPRESSURE: 4773800 -276.117 163.415 -14.9953 230.854 -306.856 -36.5652 -10.1364 -96.7183 19.3691 PRESSAVG: 4773800 -2.10499 18.7887 -5.08796 18.7886 -23.2024 23.5239 -5.08788 23.5238 56.8815 GPRESSAVG: 4773800 -1.2866 17.0104 -5.47849 20.2816 -21.7335 23.3549 -7.34937 26.1168 55.0978 TIMING: 4773800 CPU: 14169.8, 0.00293125/step Wall: 14169.8, 0.00293125/step, 0.18418 hours remaining, 209.378906 MB of memory in use. ENERGY: 4773800 776.5358 2059.5058 1916.3879 106.1048 -206295.0693 17692.3258 0.0000 0.0000 34192.4825 -149551.7267 298.6115 -183744.2092 -149458.3661 298.7411 -219.7554 -187.8679 556597.9310 10.5247 10.6926 PRESSURE: 4774000 200.173 -167.452 125.967 -167.453 39.4104 78.8565 125.967 78.8559 184.902 GPRESSURE: 4774000 152.347 -154.911 173.517 -200.192 74.1875 56.1034 178.694 126.929 296.211 PRESSAVG: 4774000 -10.3807 0.944546 11.6759 0.94449 8.33519 -3.83027 11.6759 -3.83027 -2.82943 GPRESSAVG: 4774000 -12.3858 2.7501 12.0838 -0.791559 7.75014 -4.66993 11.935 -5.82898 -0.441633 TIMING: 4774000 CPU: 14170.4, 0.00293516/step Wall: 14170.4, 0.00293516/step, 0.184263 hours remaining, 209.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4774000 713.2032 2084.1565 1912.2087 117.9613 -206741.3463 18070.3038 0.0000 0.0000 34281.5071 -149562.0056 299.3889 -183843.5127 -149465.3080 298.3345 141.4952 174.2483 556186.9433 -1.6250 -1.6924 PRESSURE: 4774200 160.01 45.794 -74.6207 45.7928 187.052 138.805 -74.621 138.804 -54.4872 GPRESSURE: 4774200 170.978 23.8374 -16.1554 108.604 218.552 170.359 -124.042 45.8768 -7.27546 PRESSAVG: 4774200 0.585533 11.2965 18.8009 11.2965 -70.4299 5.30943 18.801 5.30934 91.8876 GPRESSAVG: 4774200 0.494438 11.5847 19.8439 12.9167 -70.2465 6.66327 21.1367 4.1669 91.7455 TIMING: 4774200 CPU: 14171, 0.00293436/step Wall: 14171, 0.00293436/step, 0.18405 hours remaining, 209.378906 MB of memory in use. ENERGY: 4774200 748.5070 2113.8436 1904.7390 102.5417 -206417.6340 17880.8097 0.0000 0.0000 34145.2316 -149521.9614 298.1988 -183667.1929 -149421.6735 298.3469 97.5247 127.4183 555787.0460 7.3477 7.3311 PRESSURE: 4774400 225.006 58.5144 53.718 58.5141 -70.7608 -16.1197 53.7181 -16.1206 149.13 GPRESSURE: 4774400 213.012 20.8801 -8.2936 107.802 25.6773 -70.755 114.769 63.945 162.089 PRESSAVG: 4774400 -32.6133 -16.8628 9.73632 -16.8628 -9.52599 39.2285 9.73635 39.2284 19.0327 GPRESSAVG: 4774400 -31.6526 -16.7888 10.2302 -18.4252 -9.87895 37.7184 8.18308 41.4384 19.2857 TIMING: 4774400 CPU: 14171.5, 0.0029283/step Wall: 14171.5, 0.0029283/step, 0.183507 hours remaining, 209.378906 MB of memory in use. ENERGY: 4774400 750.0469 2086.4239 1940.5472 112.2681 -206516.1822 17929.6790 0.0000 0.0000 34238.3794 -149458.8377 299.0123 -183697.2171 -149362.3717 298.4147 101.1251 133.5929 556552.7123 -7.7022 -7.4153 PRESSURE: 4774600 -248.876 -55.5224 -12.5694 -55.5224 3.7735 -138.217 -12.5703 -138.217 -36.7454 GPRESSURE: 4774600 -194.758 -32.0685 -16.3438 39.8919 -19.6293 -70.7293 -44.8556 -200.379 35.561 PRESSAVG: 4774600 14.2937 43.9595 3.16024 43.9595 -54.2328 62.7654 3.16028 62.7653 73.2975 GPRESSAVG: 4774600 13.842 42.7738 0.800203 45.8762 -52.6481 62.6632 1.70073 62.5486 72.0208 TIMING: 4774600 CPU: 14172.1, 0.00291489/step Wall: 14172.1, 0.00291489/step, 0.182504 hours remaining, 209.378906 MB of memory in use. ENERGY: 4774600 748.5882 2067.6096 1946.6622 123.9437 -206300.9508 17869.9887 0.0000 0.0000 34215.0505 -149329.1080 298.8085 -183544.1585 -149241.0412 298.6972 -93.9493 -59.6087 559505.8112 11.1195 11.0715 PRESSURE: 4774800 131.13 -50.1581 -52.1878 -50.1593 -15.6185 -30.2162 -52.1878 -30.215 259.505 GPRESSURE: 4774800 174.941 -42.4014 -69.6355 -133.972 52.2865 10.7919 -36.9145 -11.1629 229.975 PRESSAVG: 4774800 13.2446 4.05078 19.2575 4.05069 -10.8062 -8.68148 19.2575 -8.68144 -3.65042 GPRESSAVG: 4774800 12.1969 4.34153 20.9469 2.43061 -10.9956 -9.50835 19.9202 -5.38429 -2.68692 TIMING: 4774800 CPU: 14172.7, 0.00291251/step Wall: 14172.7, 0.00291251/step, 0.182194 hours remaining, 209.378906 MB of memory in use. ENERGY: 4774800 788.8806 2086.3478 1938.0692 120.0399 -206788.9714 18310.1748 0.0000 0.0000 34238.2212 -149307.2378 299.0109 -183545.4590 -149211.7062 299.9897 125.0054 152.4008 557915.8336 -0.4040 -0.4952 PRESSURE: 4775000 -33.1916 -1.73176 79.5661 -1.73171 82.7941 93.0086 79.5668 93.0084 23.1266 GPRESSURE: 4775000 3.8598 99.4836 112.936 -111.422 146.089 59.1129 38.2529 179.919 42.4823 PRESSAVG: 4775000 17.7147 10.7626 16.0021 10.7625 51.996 -14.4233 16.002 -14.4233 -26.4984 GPRESSAVG: 4775000 19.3921 10.1551 16.3496 10.2669 49.8009 -13.2292 15.4652 -17.3725 -25.6828 TIMING: 4775000 CPU: 14173.3, 0.00294459/step Wall: 14173.3, 0.00294459/step, 0.184037 hours remaining, 209.378906 MB of memory in use. ENERGY: 4775000 747.7391 2111.9072 1939.7955 119.1672 -206538.6178 17939.6135 0.0000 0.0000 34243.5600 -149436.8353 299.0575 -183680.3953 -149339.4479 299.4325 24.2431 64.1438 556472.1560 14.4041 14.5034 PRESSURE: 4775200 158 23.0535 99.6967 23.054 63.5369 -40.4627 99.6954 -40.4627 33.1241 GPRESSURE: 4775200 225.993 38.8234 74.0219 -4.65754 87.9603 -30.8636 61.0376 15.1108 52.2664 PRESSAVG: 4775200 74.0404 -72.2886 11.978 -72.2887 13.99 42.6313 11.9781 42.6314 -61.6969 GPRESSAVG: 4775200 73.7763 -73.5073 10.1693 -72.9674 16.1534 42.0021 12.5914 43.8131 -63.9844 TIMING: 4775200 CPU: 14173.9, 0.00296242/step Wall: 14173.9, 0.00296242/step, 0.184987 hours remaining, 209.378906 MB of memory in use. ENERGY: 4775200 779.2043 2106.2324 1970.4540 111.5516 -206549.0718 18057.0632 0.0000 0.0000 34064.0939 -149460.4724 297.4902 -183524.5663 -149370.9660 298.5410 84.8869 122.0733 556236.2257 8.7779 8.6484 PRESSURE: 4775400 60.3125 4.40694 5.53154 4.40721 25.5872 74.6511 5.53163 74.6505 -78.1074 GPRESSURE: 4775400 123.187 -48.9733 -45.333 -28.8575 80.4053 136.35 10.6039 47.3992 -96.4381 PRESSAVG: 4775400 4.03611 -42.8042 35.7432 -42.8041 -13.1078 -38.7006 35.7431 -38.7006 -37.0504 GPRESSAVG: 4775400 2.28044 -41.3179 36.4409 -43.0678 -13.0272 -38.04 35.1326 -37.9791 -34.9169 TIMING: 4775400 CPU: 14174.5, 0.00296292/step Wall: 14174.5, 0.00296292/step, 0.184853 hours remaining, 209.378906 MB of memory in use. ENERGY: 4775400 757.8893 2098.2174 1943.2965 103.4933 -206698.3387 18021.3788 0.0000 0.0000 34191.2301 -149582.8333 298.6005 -183774.0633 -149485.7623 298.6402 2.5974 35.7181 556431.2146 -15.3740 -15.2212 PRESSURE: 4775600 -246.461 -24.4859 -22.082 -24.4869 139.516 196.859 -22.0827 196.86 189.991 GPRESSURE: 4775600 -220.935 49.4138 -71.2479 -6.58261 190.586 197.737 -62.5537 176.163 207.416 PRESSAVG: 4775600 -62.0236 -57.3749 19.0296 -57.3748 57.2672 21.0302 19.0297 21.0301 24.643 GPRESSAVG: 4775600 -60.1966 -58.0235 19.776 -54.1003 57.3068 23.1632 18.1556 20.0647 23.1812 TIMING: 4775600 CPU: 14175.1, 0.00292915/step Wall: 14175.1, 0.00292915/step, 0.182584 hours remaining, 209.378906 MB of memory in use. ENERGY: 4775600 709.1119 2111.4663 1927.0616 110.5462 -206320.3246 17902.3035 0.0000 0.0000 34112.5261 -149447.3089 297.9132 -183559.8351 -149355.7591 298.3378 27.6818 59.0223 557996.0478 6.6289 6.7638 PRESSURE: 4775800 208.024 -178.029 -97.6227 -178.03 -34.7559 32.0285 -97.6206 32.0294 19.1989 GPRESSURE: 4775800 206.226 -170.618 -20.8793 -209.096 33.7237 25.9582 -64.2956 -4.72128 53.4595 PRESSAVG: 4775800 -0.163598 -78.8173 -11.4863 -78.8173 4.06678 13.1948 -11.4863 13.1947 -19.3053 GPRESSAVG: 4775800 -0.485341 -77.5564 -11.3408 -79.4755 4.62741 13.7127 -9.13948 12.8186 -19.3016 TIMING: 4775800 CPU: 14175.7, 0.00291147/step Wall: 14175.7, 0.00291147/step, 0.18132 hours remaining, 209.378906 MB of memory in use. ENERGY: 4775800 735.2677 2056.8527 1929.1229 123.2596 -206241.1227 17830.0646 0.0000 0.0000 34120.6382 -149445.9168 297.9840 -183566.5550 -149350.0995 298.1473 64.1557 97.8029 556718.0431 -5.1340 -5.0532 PRESSURE: 4776000 268.954 120.643 13.1572 120.643 15.5289 -59.3939 13.1574 -59.3928 50.3643 GPRESSURE: 4776000 293.719 74.3505 17.0817 147.964 57.7237 -94.114 -31.3627 -7.30858 81.8248 PRESSAVG: 4776000 22.534 -40.9208 -37.576 -40.9207 16.2601 30.8292 -37.5761 30.8294 -75.1095 GPRESSAVG: 4776000 22.8901 -41.2755 -37.8637 -41.8817 15.8884 28.909 -38.4406 31.4858 -74.7315 TIMING: 4776000 CPU: 14176.2, 0.00289935/step Wall: 14176.2, 0.00289935/step, 0.180404 hours remaining, 209.378906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4776000 722.8669 2078.2947 1950.3922 114.1607 -206629.7359 18062.6708 0.0000 0.0000 34121.0798 -149580.2709 297.9879 -183701.3507 -149489.5714 297.7542 111.6158 144.4226 557401.6651 -12.1051 -11.9843 PRESSURE: 4776200 45.3674 -13.5179 -31.4759 -13.5189 194.602 123.028 -31.4754 123.028 -175.795 GPRESSURE: 4776200 117.575 52.5432 -12.4111 -13.5362 210.552 92.1302 5.23329 152.116 -178.908 PRESSAVG: 4776200 28.9154 -24.4558 27.6565 -24.4558 11.8872 31.8267 27.6566 31.8266 -38.1842 GPRESSAVG: 4776200 28.867 -23.2343 26.6718 -24.9027 11.206 32.3183 27.6518 29.3419 -38.1473 TIMING: 4776200 CPU: 14176.8, 0.00290185/step Wall: 14176.8, 0.00290185/step, 0.180398 hours remaining, 209.378906 MB of memory in use. ENERGY: 4776200 756.1160 2082.8575 1949.4357 124.1213 -206847.3482 17996.9828 0.0000 0.0000 34156.5438 -149781.2911 298.2976 -183937.8349 -149675.8610 297.6767 21.3915 49.7395 557293.9711 0.8728 0.6419 LDB: ============= START OF LOAD BALANCING ============== 14180.4 LDB: ============== END OF LOAD BALANCING =============== 14180.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14180.4 LDB: ============= START OF LOAD BALANCING ============== 14180.7 LDB: Largest compute 4801 load 0.021157 is 17.9% of average load 0.118194 LDB: Average compute 0.001731 is 1.5% of average load 0.118194 LDB: TIME 14180.7 LOAD: AVG 0.118194 MAX 0.193555 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.18 MB LDB: TIME 14180.7 LOAD: AVG 0.118194 MAX 0.193555 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.18 MB LDB: TIME 14180.7 LOAD: AVG 0.118194 MAX 0.193555 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.18 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14180.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14180.7 PRESSURE: 4776400 -104.806 -81.7398 -55.4306 -81.7395 -12.67 285.658 -55.4305 285.659 -161.592 GPRESSURE: 4776400 -51.8304 -85.7268 -43.5807 -96.0083 44.9681 167.157 -79.2994 348.442 -170.894 PRESSAVG: 4776400 -28.7109 -18.604 44.1458 -18.604 13.8562 -1.59329 44.1458 -1.59323 36.4776 GPRESSAVG: 4776400 -29.5258 -19.9007 45.9609 -17.9434 15.4642 -2.34682 43.9774 1.16315 36.1654 TIMING: 4776400 CPU: 14177.4, 0.00297088/step Wall: 14177.4, 0.00297088/step, 0.184525 hours remaining, 209.121094 MB of memory in use. ENERGY: 4776400 777.2729 2133.4151 1949.4588 109.1480 -206466.1909 17749.0152 0.0000 0.0000 34137.5747 -149610.3062 298.1319 -183747.8809 -149511.8419 297.9366 -93.0226 -59.2523 556104.7362 7.2076 7.3679 PRESSURE: 4776600 -79.2239 -59.5794 -36.6758 -59.5789 -230.416 122.393 -36.6759 122.394 -120.247 GPRESSURE: 4776600 -102.598 -74.5095 -96.7184 -183.609 -147.935 66.5575 -32.9049 161.152 -78.4967 PRESSAVG: 4776600 -20.7432 -9.42512 -6.49787 -9.42513 33.702 30.275 -6.49792 30.2751 -4.26031 GPRESSAVG: 4776600 -19.4842 -9.44912 -8.92378 -10.8916 32.8085 30.4305 -5.76115 29.8902 -4.10145 TIMING: 4776600 CPU: 14178, 0.002926/step Wall: 14178, 0.002926/step, 0.181575 hours remaining, 209.191406 MB of memory in use. ENERGY: 4776600 751.6366 2121.7498 1956.4448 112.2426 -206404.1114 17583.2540 0.0000 0.0000 34322.3473 -149556.4363 299.7456 -183878.7836 -149457.1349 297.7612 -143.2958 -109.6766 558116.9340 2.8995 3.0743 PRESSURE: 4776800 363.906 160.703 -130.854 160.702 95.3225 18.9765 -130.854 18.9761 373.755 GPRESSURE: 4776800 434.848 176.953 -176.108 150.6 90.8944 -38.6028 -142.224 1.95428 403.187 PRESSAVG: 4776800 -29.1092 16.2534 -13.0334 16.2534 -28.7043 35.6035 -13.0334 35.6037 31.7461 GPRESSAVG: 4776800 -28.7665 16.2971 -11.8303 18.2639 -28.4736 36.2343 -15.5698 32.7278 31.076 TIMING: 4776800 CPU: 14178.6, 0.0029148/step Wall: 14178.6, 0.0029148/step, 0.180717 hours remaining, 209.191406 MB of memory in use. ENERGY: 4776800 757.7500 2031.6955 1945.6289 115.7211 -207070.9312 18292.6117 0.0000 0.0000 34219.1843 -149708.3398 298.8446 -183927.5241 -149606.8773 298.0688 277.6614 309.6430 555620.2003 -8.6891 -8.7214 PRESSURE: 4777000 -95.3008 82.8566 -10.3067 82.857 71.9078 1.13998 -10.3061 1.13843 -51.2348 GPRESSURE: 4777000 -43.4277 109.938 -10.9439 118.801 104.898 32.1003 53.9359 -30.5402 -32.5848 PRESSAVG: 4777000 -15.6318 35.1061 42.3153 35.1061 -2.63047 -10.3916 42.3155 -10.3916 29.4814 GPRESSAVG: 4777000 -15.4034 33.0526 41.2792 35.5276 -3.45895 -10.9008 44.8052 -8.09239 29.9882 TIMING: 4777000 CPU: 14179.2, 0.00294096/step Wall: 14179.2, 0.00294096/step, 0.182176 hours remaining, 209.191406 MB of memory in use. ENERGY: 4777000 767.7328 2128.1428 1963.0165 116.9624 -206676.3576 17980.9563 0.0000 0.0000 34174.6788 -149544.8680 298.4560 -183719.5467 -149450.4880 298.7510 -24.8759 9.6283 556809.7870 3.7397 3.7086 PRESSURE: 4777200 -77.1896 28.8269 -26.3127 28.8279 -212.128 -35.025 -26.3127 -35.0266 89.971 GPRESSURE: 4777200 -7.68685 37.1265 72.9779 3.56235 -181.608 -109.238 -110.645 19.4452 78.2669 PRESSAVG: 4777200 11.2637 -19.3786 24.1696 -19.3785 -60.4351 -48.0875 24.1695 -48.0876 1.52197 GPRESSAVG: 4777200 11.1549 -17.0483 25.3272 -19.9603 -59.8834 -47.1811 22.2628 -50.1025 0.943752 TIMING: 4777200 CPU: 14179.8, 0.00292832/step Wall: 14179.8, 0.00292832/step, 0.181231 hours remaining, 209.191406 MB of memory in use. ENERGY: 4777200 753.3868 2127.6772 1935.6075 124.7429 -206499.4874 17830.9077 0.0000 0.0000 34107.6825 -149619.4828 297.8709 -183727.1652 -149525.3053 297.8970 -66.4488 -37.0093 557796.9495 -15.8832 -15.9283 PRESSURE: 4777400 -238.158 -35.4348 -52.7776 -35.4345 -55.0024 -255.528 -52.7777 -255.528 105.828 GPRESSURE: 4777400 -152.449 13.9958 15.1576 -56.0528 -50.4396 -268.524 -54.6891 -202.311 103.619 PRESSAVG: 4777400 -41.1782 10.3488 -7.22994 10.3488 -35.1692 -88.3285 -7.22998 -88.3285 61.115 GPRESSAVG: 4777400 -42.9838 10.1658 -7.64609 9.16759 -33.5829 -88.1368 -6.34569 -85.9818 61.4709 TIMING: 4777400 CPU: 14180.3, 0.00295802/step Wall: 14180.3, 0.00295802/step, 0.182904 hours remaining, 209.191406 MB of memory in use. ENERGY: 4777400 756.7324 2102.8527 1975.8798 114.9197 -206473.7639 17799.0995 0.0000 0.0000 34106.1721 -149618.1078 297.8577 -183724.2798 -149523.4231 298.4937 -62.4443 -33.0899 557080.6643 -5.0774 -5.0320 PRESSURE: 4777600 150.149 -1.86551 32.2648 -1.86497 -133.99 37.0941 32.2641 37.0958 72.9857 GPRESSURE: 4777600 230.946 46.6895 107.737 -25.8559 -124.075 -33.629 54.1166 -38.8487 86.2295 PRESSAVG: 4777600 -37.2546 14.2622 -36.0669 14.2622 18.9895 -17.0106 -36.0669 -17.0106 -0.428902 GPRESSAVG: 4777600 -35.7937 15.5523 -34.7883 13.8912 17.6282 -19.7911 -35.1604 -16.565 -0.348885 TIMING: 4777600 CPU: 14180.9, 0.00294815/step Wall: 14180.9, 0.00294815/step, 0.18213 hours remaining, 209.191406 MB of memory in use. ENERGY: 4777600 738.5257 2102.0839 1943.0206 119.4070 -206624.8009 17840.9884 0.0000 0.0000 34167.0639 -149713.7114 298.3895 -183880.7753 -149616.1706 297.9580 29.7150 64.3669 554538.0577 -6.2313 -6.1715 PRESSURE: 4777800 140.47 -57.8791 185.544 -57.8788 -51.2889 10.2766 185.544 10.2771 -0.216417 GPRESSURE: 4777800 147.414 16.062 153.825 -114.078 -13.3664 40.3268 200.795 13.4262 54.0784 PRESSAVG: 4777800 9.26887 -57.3989 -6.39812 -57.3988 10.5742 -14.5079 -6.39809 -14.5079 -38.3867 GPRESSAVG: 4777800 8.59322 -57.6264 -8.70338 -57.7643 11.5539 -10.7825 -6.45285 -17.0767 -38.5168 TIMING: 4777800 CPU: 14181.5, 0.00293658/step Wall: 14181.5, 0.00293658/step, 0.181252 hours remaining, 209.191406 MB of memory in use. ENERGY: 4777800 778.0774 2140.2365 1945.1778 122.3036 -206815.0306 17904.4502 0.0000 0.0000 34297.2070 -149627.5781 299.5260 -183924.7851 -149529.9926 298.0717 29.6548 62.7088 556236.9495 -6.1812 -6.1232 PRESSURE: 4778000 -15.8624 -40.9628 -51.2325 -40.9622 -121.484 21.1805 -51.233 21.1822 -473.231 GPRESSURE: 4778000 7.73784 -90.1275 40.4888 -30.7152 -99.7055 19.6327 20.3943 45.4165 -417.085 PRESSAVG: 4778000 44.7559 -43.6003 -12.1886 -43.6003 37.0564 -21.9582 -12.1886 -21.9581 -85.53 GPRESSAVG: 4778000 45.3974 -45.2812 -9.30257 -42.6632 37.4332 -24.0655 -14.923 -21.9931 -85.7504 TIMING: 4778000 CPU: 14182.1, 0.00295927/step Wall: 14182.1, 0.00295927/step, 0.182488 hours remaining, 209.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4778000 709.7172 2142.7702 1956.7182 116.7043 -206500.7857 17439.0533 0.0000 0.0000 34505.4980 -149630.3246 301.3451 -184135.8226 -149529.8720 298.2221 -203.5259 -169.6841 555398.0893 -1.2392 -0.9733 PRESSURE: 4778200 48.2288 -166.708 0.596798 -166.708 283.209 -15.3463 0.596645 -15.3462 126.754 GPRESSURE: 4778200 51.386 -154.527 -43.1517 -179.887 346.157 -90.3846 -0.808228 38.5675 156.741 PRESSAVG: 4778200 -5.60651 -6.49192 -23.9051 -6.49189 -18.8638 -47.6564 -23.9052 -47.6563 0.0980924 GPRESSAVG: 4778200 -6.35698 -6.67059 -25.8602 -5.16836 -19.0922 -46.8256 -21.6044 -47.6861 1.27566 TIMING: 4778200 CPU: 14182.7, 0.00292011/step Wall: 14182.7, 0.00292011/step, 0.179911 hours remaining, 209.191406 MB of memory in use. ENERGY: 4778200 749.1929 2138.5689 1956.2945 101.9737 -206745.1916 17934.9173 0.0000 0.0000 34138.7459 -149725.4984 298.1422 -183864.2443 -149623.5362 298.3636 152.7306 184.7615 555274.7715 -8.1241 -8.0578 PRESSURE: 4778400 -5.64253 35.9124 -102.359 35.912 -391.774 118.281 -102.359 118.281 -209.821 GPRESSURE: 4778400 19.6386 -21.2237 -122.518 -17.0866 -277.336 57.8055 -57.1519 67.29 -243.214 PRESSAVG: 4778400 6.73769 12.4842 28.4573 12.4841 -0.511149 29.7641 28.4572 29.7641 8.82321 GPRESSAVG: 4778400 7.94774 13.253 29.0574 11.1505 -1.39312 28.5957 26.8111 29.7585 7.83582 TIMING: 4778400 CPU: 14183.3, 0.0029408/step Wall: 14183.3, 0.0029408/step, 0.181023 hours remaining, 209.191406 MB of memory in use. ENERGY: 4778400 753.3780 2077.2889 1930.4780 111.7731 -206161.1040 17584.1476 0.0000 0.0000 34161.7789 -149542.2595 298.3433 -183704.0384 -149440.8854 298.4393 -202.4127 -166.9706 556438.0266 5.0166 4.7968 PRESSURE: 4778600 233.214 32.3134 -219.489 32.3133 11.009 -96.6711 -219.488 -96.6718 24.4272 GPRESSURE: 4778600 155.437 -36.1224 -232.932 179.626 111.701 -89.9121 -313.44 -53.8306 104.905 PRESSAVG: 4778600 18.7669 25.1457 -32.0894 25.1457 -5.58323 6.77399 -32.0892 6.77399 -14.0979 GPRESSAVG: 4778600 18.4074 24.7142 -31.5268 25.2468 -4.89414 7.27447 -30.8714 6.68167 -14.8111 TIMING: 4778600 CPU: 14183.9, 0.00295377/step Wall: 14183.9, 0.00295377/step, 0.181657 hours remaining, 209.191406 MB of memory in use. ENERGY: 4778600 732.4236 2086.8801 1931.6890 117.7779 -206516.3248 18000.3357 0.0000 0.0000 33938.8636 -149708.3549 296.3965 -183647.2185 -149614.5322 298.1568 89.5501 124.0143 556519.0782 -0.3047 -0.4326 PRESSURE: 4778800 -124.106 -62.6128 -117.463 -62.6128 -202.623 -279.668 -117.461 -279.667 -115.684 GPRESSURE: 4778800 -69.6212 -30.3116 -212.587 -85.0782 -152.768 -264.032 -67.9808 -241.694 -115.659 PRESSAVG: 4778800 -120.51 13.7715 -27.4466 13.7715 86.1611 74.082 -27.4467 74.0821 -5.60075 GPRESSAVG: 4778800 -119.289 15.0627 -27.6862 10.4365 85.475 75.3379 -29.8572 75.1743 -6.23094 TIMING: 4778800 CPU: 14184.5, 0.00292927/step Wall: 14184.5, 0.00292926/step, 0.179987 hours remaining, 209.191406 MB of memory in use. ENERGY: 4778800 763.4265 2094.4785 1934.4884 118.9323 -206447.7494 17662.2507 0.0000 0.0000 34081.9420 -149792.2309 297.6461 -183874.1729 -149696.2192 297.4118 -147.4707 -112.6829 555823.0270 -13.3165 -13.3482 PRESSURE: 4779000 -196.173 180.971 -10.2247 180.971 -141.467 -83.5731 -10.2254 -83.5747 -17.4811 GPRESSURE: 4779000 -154.785 142.207 -47.5038 169.074 -72.2438 -72.4874 -5.83664 -112.87 -20.6603 PRESSAVG: 4779000 -70.1338 21.7742 -45.2069 21.7742 47.97 63.0382 -45.2069 63.0382 45.6348 GPRESSAVG: 4779000 -71.3944 20.1705 -45.4559 24.2562 47.7835 63.1584 -43.6668 62.215 46.7277 TIMING: 4779000 CPU: 14185.1, 0.0029511/step Wall: 14185.1, 0.0029511/step, 0.181165 hours remaining, 209.191406 MB of memory in use. ENERGY: 4779000 738.1549 2145.1681 1919.8859 117.9523 -206246.6423 17557.8958 0.0000 0.0000 34072.8278 -149694.7575 297.5665 -183767.5854 -149598.2054 298.3291 -118.3737 -82.5631 555410.7772 7.8237 7.7056 PRESSURE: 4779200 340.5 -73.453 -79.1374 -73.4511 78.256 -25.2117 -79.1371 -25.2126 29.6463 GPRESSURE: 4779200 411.131 -123.614 -64.5993 33.1793 119.557 -46.7353 4.43154 2.35045 -2.07965 PRESSAVG: 4779200 6.7557 6.92431 -6.75468 6.92424 35.3588 43.2427 -6.75469 43.2427 -32.7143 GPRESSAVG: 4779200 6.88358 6.47886 -5.97247 7.83331 35.2698 41.8237 -6.09416 44.1192 -32.669 TIMING: 4779200 CPU: 14185.6, 0.00294051/step Wall: 14185.6, 0.00294051/step, 0.180352 hours remaining, 209.191406 MB of memory in use. ENERGY: 4779200 725.2913 2124.8965 1909.7330 111.0239 -206503.0993 17695.7240 0.0000 0.0000 34383.0348 -149553.3958 300.2756 -183936.4306 -149455.4703 298.7216 149.4673 176.2027 554892.7289 3.1334 3.1615 PRESSURE: 4779400 -231.267 27.4545 -44.7493 27.4527 -46.8471 206.521 -44.749 206.521 53.0643 GPRESSURE: 4779400 -130.278 -14.0865 -16.1603 -52.9277 -48.4527 153.502 -73.6887 154.479 76.623 PRESSAVG: 4779400 44.6063 -36.0291 -1.99482 -36.0292 -16.9081 56.9187 -1.99487 56.9187 -80.8074 GPRESSAVG: 4779400 44.0714 -35.0171 -4.74204 -35.4247 -17.2604 57.7117 -1.69821 56.0425 -79.5242 TIMING: 4779400 CPU: 14186.2, 0.0029269/step Wall: 14186.2, 0.0029269/step, 0.179354 hours remaining, 209.191406 MB of memory in use. ENERGY: 4779400 746.4187 2028.0071 1965.6442 122.2461 -206717.4532 18043.3995 0.0000 0.0000 34280.3959 -149531.3418 299.3792 -183811.7376 -149435.2892 298.4140 -75.0165 -34.0360 558472.1733 -17.7030 -17.5711 PRESSURE: 4779600 -129.749 43.2055 89.7034 43.2066 7.50188 -71.6352 89.7029 -71.6351 43.4293 GPRESSURE: 4779600 -97.0896 82.8892 140.59 -22.5226 60.5427 -100.111 50.2401 55.7233 67.6254 PRESSAVG: 4779600 19.8422 41.2556 -38.276 41.2557 47.2539 -38.948 -38.2761 -38.9479 -65.9285 GPRESSAVG: 4779600 21.5014 41.0394 -35.4282 41.6999 47.2551 -40.0714 -38.3551 -36.3094 -67.3374 TIMING: 4779600 CPU: 14186.8, 0.00291393/step Wall: 14186.8, 0.00291393/step, 0.178397 hours remaining, 209.191406 MB of memory in use. ENERGY: 4779600 701.7263 2057.7961 1929.9087 107.2832 -206411.3192 17953.9862 0.0000 0.0000 34003.2648 -149657.3539 296.9590 -183660.6186 -149562.8156 298.1601 -26.2727 10.3595 559328.4429 0.3892 0.4730 PRESSURE: 4779800 -139.734 -193.242 229.142 -193.244 81.7217 36.7557 229.141 36.7577 86.9617 GPRESSURE: 4779800 -115.353 -226.24 223.44 -123.729 100.791 61.3328 249.219 61.6437 137.193 PRESSAVG: 4779800 -1.15554 -16.6753 20.8282 -16.6754 -42.8153 -48.251 20.8282 -48.2511 0.478369 GPRESSAVG: 4779800 -3.44712 -17.5088 20.0363 -18.514 -41.4066 -46.4769 20.29 -50.0739 1.38922 TIMING: 4779800 CPU: 14187.4, 0.00290334/step Wall: 14187.4, 0.00290334/step, 0.177588 hours remaining, 209.191406 MB of memory in use. ENERGY: 4779800 754.5044 2145.3939 1924.5231 113.3960 -206556.4144 17983.0351 0.0000 0.0000 34225.4315 -149410.1304 298.8992 -183635.5619 -149316.1935 297.5130 9.6498 40.8772 557408.0213 -14.4975 -14.4882 PRESSURE: 4780000 -352.555 -45.3682 -49.8424 -45.3686 85.4124 130.797 -49.8438 130.797 -310.822 GPRESSURE: 4780000 -317.869 -34.2067 -129.017 -72.5897 115.193 121.407 -11.3997 194.005 -278.793 PRESSAVG: 4780000 26.9979 -34.2126 -0.133717 -34.2126 -1.53933 -40.1514 -0.133736 -40.1514 11.8205 GPRESSAVG: 4780000 28.4046 -33.569 -0.089591 -32.5049 -3.7432 -40.6796 0.373101 -39.7714 12.187 TIMING: 4780000 CPU: 14188, 0.0029136/step Wall: 14188, 0.0029136/step, 0.178054 hours remaining, 209.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4780000 760.8008 2132.8466 1923.0099 114.8229 -206096.2829 17596.6470 0.0000 0.0000 34207.9542 -149360.2014 298.7466 -183568.1557 -149264.2798 298.1914 -192.6548 -160.4896 558204.7341 12.4264 12.2828 PRESSURE: 4780200 87.6621 72.4282 -64.102 72.429 73.3781 107.044 -64.1015 107.046 129.323 GPRESSURE: 4780200 137.175 -4.62268 -142.045 96.935 121.474 160.295 -87.4957 96.6927 134.24 PRESSAVG: 4780200 38.2295 -18.2051 5.69154 -18.2051 -87.6979 13.2655 5.69154 13.2656 -1.47572 GPRESSAVG: 4780200 38.5806 -17.7305 6.67573 -19.4247 -86.3681 14.0724 4.37385 11.8351 -2.95182 TIMING: 4780200 CPU: 14188.6, 0.00293806/step Wall: 14188.6, 0.00293806/step, 0.179385 hours remaining, 209.191406 MB of memory in use. ENERGY: 4780200 718.1120 2072.8174 1924.9034 101.2923 -206605.3942 17960.7426 0.0000 0.0000 34466.3392 -149361.1873 301.0031 -183827.5265 -149264.2571 298.8517 96.7877 130.9629 556872.5677 -16.9814 -16.9131 LDB: ============= START OF LOAD BALANCING ============== 14192.1 LDB: ============== END OF LOAD BALANCING =============== 14192.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14192.1 LDB: ============= START OF LOAD BALANCING ============== 14192.4 LDB: Largest compute 4801 load 0.022647 is 19.1% of average load 0.118304 LDB: Average compute 0.001732 is 1.5% of average load 0.118304 LDB: TIME 14192.4 LOAD: AVG 0.118304 MAX 0.193959 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.637 MB LDB: TIME 14192.4 LOAD: AVG 0.118304 MAX 0.193959 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.637 MB LDB: TIME 14192.4 LOAD: AVG 0.118304 MAX 0.193959 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.637 MB LDB: ============== END OF LOAD BALANCING =============== 14192.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14192.4 PRESSURE: 4780400 -45.8353 31.0321 -133.22 31.0317 76.3828 139.337 -133.221 139.338 -246.017 GPRESSURE: 4780400 -42.3149 -34.5459 -190.198 75.1342 124.007 140.954 -69.2657 147.97 -196.205 PRESSAVG: 4780400 -1.17543 -19.7422 -22.7264 -19.7422 -28.3842 9.94942 -22.7264 9.94929 -1.80496 GPRESSAVG: 4780400 -2.48081 -20.758 -21.5533 -18.2101 -28.5448 10.4566 -23.2943 10.903 -0.248954 TIMING: 4780400 CPU: 14189.2, 0.00298794/step Wall: 14189.2, 0.00298794/step, 0.182264 hours remaining, 210.460938 MB of memory in use. ENERGY: 4780400 800.3246 2131.4046 1904.2355 108.1508 -206297.6517 17793.9857 0.0000 0.0000 34333.1053 -149226.4453 299.8395 -183559.5505 -149125.5209 298.8589 -71.8233 -38.1712 556939.8876 -10.4549 -10.4248 PRESSURE: 4780600 -173.364 -57.9742 -35.5742 -57.9741 -111.131 239.084 -35.5738 239.085 8.19854 GPRESSURE: 4780600 -122.079 -36.6561 -57.8677 -80.1778 -42.6979 236.398 -45.4466 206.662 -11.7936 PRESSAVG: 4780600 14.615 -9.12757 -17.3259 -9.12748 -25.97 -25.1853 -17.3259 -25.1853 6.51899 GPRESSAVG: 4780600 15.5663 -8.55869 -19.1849 -10.4556 -25.7575 -27.9744 -16.7173 -24.631 5.24251 TIMING: 4780600 CPU: 14189.7, 0.0029398/step Wall: 14189.7, 0.0029398/step, 0.179165 hours remaining, 210.660156 MB of memory in use. ENERGY: 4780600 740.7268 2120.8065 1923.9887 101.1031 -206055.8098 17684.4467 0.0000 0.0000 34368.0792 -149116.6588 300.1450 -183484.7381 -149013.7243 299.8435 -92.0990 -58.8570 557297.1161 -1.6120 -1.6496 PRESSURE: 4780800 29.7849 58.8682 102.271 58.8673 -100.891 -156.844 102.272 -156.843 -84.704 GPRESSURE: 4780800 58.8582 76.1223 96.6657 56.1753 -77.7209 -145.701 31.8567 -122.289 -45.0369 PRESSAVG: 4780800 -7.25638 1.86449 1.62556 1.86445 13.0194 14.0676 1.62558 14.0675 -5.95714 GPRESSAVG: 4780800 -6.96453 0.0966884 3.07847 5.54769 12.1731 14.2263 2.26521 14.5444 -5.7363 TIMING: 4780800 CPU: 14190.3, 0.00294721/step Wall: 14190.3, 0.00294721/step, 0.179453 hours remaining, 210.660156 MB of memory in use. ENERGY: 4780800 744.7370 2093.3529 1966.7313 123.2868 -205764.6856 17586.0654 0.0000 0.0000 34130.7787 -149119.7335 298.0726 -183250.5122 -149030.6267 299.6127 -51.9366 -21.2999 557696.7104 -0.0647 -0.1759 PRESSURE: 4781000 112.889 157.957 -68.0755 157.959 -81.0044 -93.8105 -68.0753 -93.8104 -58.3004 GPRESSURE: 4781000 120.133 191.966 -108.629 191.092 -69.8539 -166.019 -77.1346 -47.1823 16.1177 PRESSAVG: 4781000 -2.57937 -2.47523 -3.40165 -2.47512 -38.1757 -48.7597 -3.40174 -48.7597 67.3935 GPRESSAVG: 4781000 -4.28363 -0.0913758 -5.11024 -5.69504 -37.1789 -46.9438 -3.37734 -48.4714 67.8194 TIMING: 4781000 CPU: 14190.9, 0.00293795/step Wall: 14190.9, 0.00293795/step, 0.178725 hours remaining, 210.660156 MB of memory in use. ENERGY: 4781000 759.4554 2083.2328 1934.7369 115.1145 -206275.9284 17697.7904 0.0000 0.0000 34466.2627 -149219.3356 301.0024 -183685.5984 -149116.8530 299.4512 -8.8052 22.1324 556049.5093 8.8795 8.7856 PRESSURE: 4781200 -193.614 103.675 6.93127 103.675 -31.7635 -71.7959 6.93071 -71.7948 -345.201 GPRESSURE: 4781200 -136.061 145.42 103.843 162.275 -59.5411 -58.8209 -15.2171 -22.4095 -289.441 PRESSAVG: 4781200 55.4083 5.76264 -39.1764 5.76257 18.0173 -14.3483 -39.1763 -14.3484 -54.1275 GPRESSAVG: 4781200 56.6062 5.8746 -38.8645 4.86857 16.3169 -13.9646 -40.8643 -16.0842 -53.4757 TIMING: 4781200 CPU: 14191.5, 0.00293819/step Wall: 14191.5, 0.00293819/step, 0.178577 hours remaining, 210.660156 MB of memory in use. ENERGY: 4781200 766.7445 2106.0897 1909.8578 109.8591 -205778.3934 17503.1967 0.0000 0.0000 34446.1505 -148936.4951 300.8268 -183382.6456 -148836.4476 299.0475 -190.1926 -161.6810 558962.7799 6.4327 6.4824 PRESSURE: 4781400 -84.3267 -112.636 -26.1713 -112.635 -100.152 110.588 -26.1714 110.587 129.302 GPRESSURE: 4781400 -66.9567 -64.2738 -86.749 -110.718 -77.6388 197.745 -41.4438 99.3262 180.953 PRESSAVG: 4781400 -35.8791 -55.9915 -56.5057 -55.9914 -27.1585 47.3254 -56.5057 47.3253 68.0583 GPRESSAVG: 4781400 -35.5677 -55.035 -57.3028 -56.4041 -25.2953 48.8803 -54.0246 45.6841 66.2353 TIMING: 4781400 CPU: 14192.1, 0.00294142/step Wall: 14192.1, 0.00294142/step, 0.17861 hours remaining, 210.660156 MB of memory in use. ENERGY: 4781400 751.1364 2159.7032 1930.3910 130.4260 -205853.6492 17694.7916 0.0000 0.0000 34268.9416 -148918.2594 299.2792 -183187.2010 -148826.3602 300.4619 -18.3922 12.1193 556802.8804 1.6736 1.7908 PRESSURE: 4781600 185.895 -13.0792 -11.143 -13.0792 -73.1231 -147.541 -11.1432 -147.541 -142.038 GPRESSURE: 4781600 164.336 -42.1607 -78.9462 26.4032 -3.30403 -130.624 9.68786 -124.82 -84.8859 PRESSAVG: 4781600 -17.9364 -22.0197 -49.521 -22.0198 -14.0117 8.45688 -49.521 8.45682 25.884 GPRESSAVG: 4781600 -17.323 -24.1776 -49.8484 -21.657 -14.8243 8.95325 -49.0047 10.4855 25.6813 TIMING: 4781600 CPU: 14192.7, 0.0029272/step Wall: 14192.7, 0.0029272/step, 0.177583 hours remaining, 210.660156 MB of memory in use. ENERGY: 4781600 753.0119 2174.3625 1912.6082 101.2687 -205608.4784 17488.1624 0.0000 0.0000 34285.9330 -148893.1317 299.4276 -183179.0647 -148795.1669 300.1128 -9.7553 25.3819 557344.2942 -2.0214 -2.1553 PRESSURE: 4781800 131.451 -31.9813 -169.337 -31.9814 177.689 87.1577 -169.337 87.1573 92.624 GPRESSURE: 4781800 231.711 40.756 -182.773 -163.255 182.4 30.1528 -196.753 7.00912 82.8075 PRESSAVG: 4781800 -1.57877 -18.4623 -37.7121 -18.4623 -20.5782 -28.4818 -37.7121 -28.4816 61.5203 GPRESSAVG: 4781800 -1.5131 -16.5897 -35.13 -19.1464 -21.7535 -30.7237 -39.1025 -28.6608 62.5204 TIMING: 4781800 CPU: 14193.3, 0.00290068/step Wall: 14193.3, 0.00290068/step, 0.175813 hours remaining, 210.660156 MB of memory in use. ENERGY: 4781800 742.6010 2077.3494 1936.9273 115.1535 -206121.4197 17977.1964 0.0000 0.0000 34303.1500 -148969.0421 299.5779 -183272.1921 -148870.9941 300.4265 133.9213 165.6395 557411.5848 13.1211 13.0846 PRESSURE: 4782000 68.9223 -28.3894 -200.273 -28.3889 -17.9275 211.746 -200.273 211.746 69.4458 GPRESSURE: 4782000 89.3169 17.8857 -180.525 6.47572 15.4382 218.228 -107.454 225.534 126.847 PRESSAVG: 4782000 -19.6985 14.37 -35.4835 14.37 10.0342 76.3742 -35.4836 76.3742 27.1555 GPRESSAVG: 4782000 -20.3617 14.4294 -34.7645 16.9887 11.6998 77.2314 -36.7579 77.619 26.1392 TIMING: 4782000 CPU: 14193.9, 0.00293579/step Wall: 14193.9, 0.00293579/step, 0.177778 hours remaining, 210.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4782000 750.2956 2083.5979 1909.1296 114.2265 -206050.5200 17792.6200 0.0000 0.0000 34233.6455 -149167.0047 298.9709 -183400.6502 -149071.3577 299.9319 40.1469 77.2008 557149.4183 5.8304 5.8258 PRESSURE: 4782200 -2.17363 13.1033 213.485 13.1042 -95.3343 64.2807 213.485 64.2801 -150.539 GPRESSURE: 4782200 17.8559 -10.2159 165.47 -39.9901 -48.524 -6.16409 269.403 43.6192 -124.939 PRESSAVG: 4782200 49.4886 11.9353 -5.47501 11.9353 -63.9092 27.7901 -5.47497 27.79 59.7031 GPRESSAVG: 4782200 50.9589 11.0657 -5.76172 10.749 -65.1031 27.486 -5.97248 25.3882 59.1709 TIMING: 4782200 CPU: 14194.4, 0.00292749/step Wall: 14194.4, 0.00292749/step, 0.177113 hours remaining, 210.660156 MB of memory in use. ENERGY: 4782200 739.1200 2149.0282 1899.9133 101.9921 -206446.9498 17830.3039 0.0000 0.0000 34509.8517 -149216.7406 301.3831 -183726.5923 -149126.3003 300.0839 -82.6823 -51.8691 558244.0321 15.0942 15.0089 PRESSURE: 4782400 -153.196 13.7088 -245.475 13.7088 -9.70383 138.176 -245.475 138.176 113.312 GPRESSURE: 4782400 -96.5151 -56.9276 -188.106 22.8217 -3.78689 185.333 -112.41 112.158 133.894 PRESSAVG: 4782400 -29.0327 5.76982 60.3739 5.76977 11.3193 -7.8446 60.374 -7.84452 45.1785 GPRESSAVG: 4782400 -30.6774 6.00704 57.3062 4.32255 12.8278 -7.95823 63.4463 -7.55326 45.166 TIMING: 4782400 CPU: 14195, 0.00293283/step Wall: 14195, 0.00293283/step, 0.177273 hours remaining, 210.660156 MB of memory in use. ENERGY: 4782400 754.7627 2058.5381 1945.0587 98.9373 -206184.6078 17770.4778 0.0000 0.0000 34440.8379 -149115.9953 300.7804 -183556.8332 -149021.6934 299.9068 -16.5293 11.1973 557265.3318 9.1550 9.1055 PRESSURE: 4782600 329.47 -68.7985 -169.799 -68.7983 -265.794 -145.819 -169.798 -145.819 170.648 GPRESSURE: 4782600 364.204 -17.2003 -117.199 -74.5843 -214.904 -112.58 -143.752 -127.646 171.88 PRESSAVG: 4782600 -29.3615 40.1247 -35.9827 40.1246 -48.6786 -29.9682 -35.9826 -29.9682 -9.79146 GPRESSAVG: 4782600 -29.1018 39.4969 -34.9367 42.4535 -49.1706 -31.5364 -38.5166 -28.7455 -9.40612 TIMING: 4782600 CPU: 14195.6, 0.00294461/step Wall: 14195.6, 0.00294461/step, 0.177822 hours remaining, 210.660156 MB of memory in use. ENERGY: 4782600 756.8263 2122.2008 1912.3359 115.7889 -206192.3253 18022.2253 0.0000 0.0000 34224.9197 -149038.0283 298.8947 -183262.9481 -148942.1850 299.9064 78.1083 107.0599 558697.9769 -29.2772 -29.2262 PRESSURE: 4782800 -146.869 2.93278 -181.685 2.93291 -33.355 146.443 -181.685 146.444 -222.869 GPRESSURE: 4782800 -109.85 71.5744 -120.584 60.4645 -2.38421 120.966 -137.34 212.097 -198.311 PRESSAVG: 4782800 28.1082 -19.5577 -40.2616 -19.5577 2.0878 31.4887 -40.2617 31.4886 31.5011 GPRESSAVG: 4782800 28.2399 -17.8158 -39.3073 -20.4512 1.25937 33.7744 -40.4313 32.5603 32.0612 TIMING: 4782800 CPU: 14196.2, 0.00292448/step Wall: 14196.2, 0.00292448/step, 0.176444 hours remaining, 210.660156 MB of memory in use. ENERGY: 4782800 807.1434 2122.4356 1909.8290 117.8882 -206489.9415 17796.4273 0.0000 0.0000 34518.8518 -149217.3662 301.4617 -183736.2179 -149119.1200 299.7371 -134.3645 -103.5150 557841.4491 20.5657 20.5202 PRESSURE: 4783000 -284.946 113.461 129.164 113.459 -113.662 3.51702 129.165 3.51854 91.3655 GPRESSURE: 4783000 -230.563 83.3085 127.73 87.2736 -55.5509 -68.3978 60.2007 7.22532 75.1661 PRESSAVG: 4783000 -24.8505 -32.3416 -2.77438 -32.3416 -5.15824 -21.3501 -2.77429 -21.35 -17.502 GPRESSAVG: 4783000 -23.3651 -32.7501 -3.09815 -32.4169 -5.11966 -22.6377 -3.4727 -21.6733 -18.8877 TIMING: 4783000 CPU: 14196.8, 0.00295128/step Wall: 14196.8, 0.00295128/step, 0.177897 hours remaining, 210.660156 MB of memory in use. ENERGY: 4783000 737.5099 2067.7555 1932.5355 103.5227 -206263.4183 17814.0244 0.0000 0.0000 34168.2312 -149439.8391 298.3997 -183608.0703 -149351.1427 299.7535 -102.4141 -70.3158 558245.6375 -15.8369 -15.7908 PRESSURE: 4783200 -25.7881 18.0385 31.8978 18.0394 76.021 -104.044 31.8977 -104.045 -110.92 GPRESSURE: 4783200 -30.9003 51.1693 -24.8588 -87.0725 80.6535 -73.1835 47.0393 -104.608 -19.0522 PRESSAVG: 4783200 33.533 -21.7961 27.1528 -21.7961 13.0903 -65.4636 27.1528 -65.4635 -84.7241 GPRESSAVG: 4783200 31.7488 -21.39 26.4967 -22.1658 12.6723 -63.6483 29.0368 -67.434 -82.7549 TIMING: 4783200 CPU: 14197.4, 0.00295139/step Wall: 14197.4, 0.00295139/step, 0.177739 hours remaining, 210.660156 MB of memory in use. ENERGY: 4783200 747.3179 2099.1245 1928.9560 105.3418 -206241.5606 17845.1786 0.0000 0.0000 34168.3640 -149347.2778 298.4008 -183515.6418 -149249.0128 298.8235 -20.2291 10.2336 557780.8371 -12.7003 -12.7779 PRESSURE: 4783400 154.799 -153.521 30.6614 -153.522 146.897 85.1964 30.6626 85.1959 -39.104 GPRESSURE: 4783400 209.575 -114.347 32.1823 -117.086 204.538 -10.2714 -24.0176 172.149 -54.1829 PRESSAVG: 4783400 62.645 -27.0072 0.125994 -27.0073 -52.1609 -0.863329 0.126025 -0.863268 19.8144 GPRESSAVG: 4783400 62.8571 -25.6894 1.37143 -27.0549 -51.5948 -1.76719 -1.14147 0.419898 18.9882 TIMING: 4783400 CPU: 14198, 0.00296729/step Wall: 14198, 0.00296729/step, 0.178532 hours remaining, 210.660156 MB of memory in use. ENERGY: 4783400 797.0050 2035.5376 1927.7298 109.1059 -206536.5042 18036.6811 0.0000 0.0000 34307.6919 -149322.7530 299.6176 -183630.4449 -149230.4997 298.5147 87.5308 119.9766 555589.0089 10.0995 10.0835 PRESSURE: 4783600 -5.02562 -156.684 54.7883 -156.684 -331.336 66.7758 54.7895 66.7761 -116.813 GPRESSURE: 4783600 -21.6089 -161.947 55.0706 -173.5 -188.653 37.3225 18.274 59.3242 -127.625 PRESSAVG: 4783600 33.7431 0.0201893 -7.31491 0.0202717 51.9993 38.3425 -7.31492 38.3426 -53.068 GPRESSAVG: 4783600 33.9927 -1.42054 -9.16151 1.89778 53.2606 37.5772 -6.59432 38.2979 -54.9229 TIMING: 4783600 CPU: 14198.6, 0.00295211/step Wall: 14198.6, 0.00295211/step, 0.177454 hours remaining, 210.660156 MB of memory in use. ENERGY: 4783600 770.1146 2014.2320 1939.4770 100.3209 -206149.8198 17711.8925 0.0000 0.0000 34295.0809 -149318.7020 299.5075 -183613.7829 -149227.7727 299.6121 -151.0584 -112.6291 557154.0473 10.8915 10.7768 PRESSURE: 4783800 -11.5709 128.221 28.113 128.22 51.0406 39.0113 28.1123 39.011 -331.831 GPRESSURE: 4783800 37.6776 95.3915 41.4385 120.605 -2.92619 77.2054 23.961 52.3193 -232.047 PRESSAVG: 4783800 127.778 15.1685 -36.8413 15.1684 -7.16669 1.92032 -36.8412 1.92028 -65.3218 GPRESSAVG: 4783800 127.47 14.0511 -35.373 13.2574 -9.45501 0.825562 -37.2892 1.0141 -63.5018 TIMING: 4783800 CPU: 14199.2, 0.00295279/step Wall: 14199.2, 0.00295279/step, 0.177331 hours remaining, 210.660156 MB of memory in use. ENERGY: 4783800 744.7617 2117.8798 1928.3765 103.2636 -206126.5066 17620.6285 0.0000 0.0000 34168.2457 -149443.3509 298.3998 -183611.5966 -149352.5825 299.2748 -97.4537 -65.7651 558308.8403 18.4300 18.1711 PRESSURE: 4784000 63.1986 -141.444 -85.8426 -141.443 2.99444 -63.0192 -85.8434 -63.0188 -184.481 GPRESSURE: 4784000 113.794 -193.684 -35.0253 -111.544 0.636624 -47.4677 -126.92 -40.8277 -140.555 PRESSAVG: 4784000 -4.09148 -71.3895 -24.423 -71.3896 6.15959 37.5015 -24.4229 37.5015 -8.03162 GPRESSAVG: 4784000 -4.48344 -69.5385 -25.5188 -71.3005 6.02698 40.2416 -24.2649 38.6181 -7.55102 TIMING: 4784000 CPU: 14199.7, 0.0029437/step Wall: 14199.7, 0.0029437/step, 0.176622 hours remaining, 210.660156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4784000 750.8454 2106.2543 1908.5828 110.3856 -206238.1759 17775.1896 0.0000 0.0000 34212.6496 -149374.2686 298.7876 -183586.9182 -149276.7936 298.9847 -39.4294 -8.7079 559963.6650 -1.9878 -2.0025 PRESSURE: 4784200 218.842 -123.852 22.2399 -123.851 101.474 220.301 22.2417 220.302 100.139 GPRESSURE: 4784200 262.713 5.40524 -12.0125 -107.894 114.191 172.719 90.9569 159.526 141.408 PRESSAVG: 4784200 29.1849 53.9696 17.3574 53.9696 -78.8045 -0.576763 17.3575 -0.576787 7.06166 GPRESSAVG: 4784200 30.025 54.2703 17.4162 54.789 -78.5964 -2.58588 17.7039 -2.16694 5.7763 TIMING: 4784200 CPU: 14200.3, 0.00294195/step Wall: 14200.3, 0.00294195/step, 0.176354 hours remaining, 210.660156 MB of memory in use. ENERGY: 4784200 738.0387 2101.4617 1927.8130 106.9404 -206482.2796 18211.0663 0.0000 0.0000 34200.6440 -149196.3154 298.6827 -183396.9595 -149098.3968 298.2144 140.1514 172.7704 559255.6047 -14.1860 -14.2650 LDB: ============= START OF LOAD BALANCING ============== 14203.9 LDB: ============== END OF LOAD BALANCING =============== 14203.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14203.9 LDB: ============= START OF LOAD BALANCING ============== 14204.2 LDB: Largest compute 4801 load 0.022169 is 18.7% of average load 0.118292 LDB: Average compute 0.001738 is 1.5% of average load 0.118292 LDB: TIME 14204.2 LOAD: AVG 0.118292 MAX 0.198556 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.211 MB LDB: TIME 14204.2 LOAD: AVG 0.118292 MAX 0.198556 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.414 MB LDB: TIME 14204.2 LOAD: AVG 0.118292 MAX 0.198556 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.414 MB LDB: ============== END OF LOAD BALANCING =============== 14204.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14204.2 PRESSURE: 4784400 242.057 -244.921 68.7884 -244.921 -52.8809 -44.3933 68.7885 -44.3936 -260.519 GPRESSURE: 4784400 299.379 -273.022 30.1669 -284.923 13.7665 -106.805 104.636 -20.6612 -299.637 PRESSAVG: 4784400 -39.8175 -29.0178 -44.907 -29.0178 41.0273 0.833456 -44.907 0.833337 -14.2601 GPRESSAVG: 4784400 -41.4178 -29.9305 -44.2449 -27.8809 41.8606 2.70071 -44.7601 1.23808 -13.646 TIMING: 4784400 CPU: 14200.9, 0.00299762/step Wall: 14200.9, 0.00299762/step, 0.179524 hours remaining, 208.007812 MB of memory in use. ENERGY: 4784400 720.9470 2094.7212 1935.8824 111.9549 -206136.5060 17794.6296 0.0000 0.0000 34313.4330 -149164.9378 299.6677 -183478.3708 -149071.1128 299.3478 -23.7808 4.5027 558252.1542 -4.3501 -4.4011 PRESSURE: 4784600 -164.072 -178.935 -182.724 -178.934 158.773 62.6255 -182.724 62.6256 76.7011 GPRESSURE: 4784600 -57.9528 -236.293 -197.394 -120.375 145.771 14.2253 -210.229 133.604 74.8861 PRESSAVG: 4784600 -40.0679 -26.2105 -42.5303 -26.2105 13.2054 22.9866 -42.5303 22.9866 -27.4754 GPRESSAVG: 4784600 -40.1889 -27.9084 -43.7461 -26.6171 14.322 20.5916 -42.732 24.3544 -28.2728 TIMING: 4784600 CPU: 14201.5, 0.00293785/step Wall: 14201.5, 0.00293785/step, 0.175781 hours remaining, 208.207031 MB of memory in use. ENERGY: 4784600 762.5049 2091.2561 1921.6493 111.5286 -206269.2889 17846.5410 0.0000 0.0000 34242.1320 -149293.6769 299.0451 -183535.8089 -149198.0223 299.9676 23.8006 54.2347 556391.6641 -18.1126 -18.0466 PRESSURE: 4784800 -174.447 27.985 -143.476 27.9849 -5.80491 -65.4099 -143.477 -65.4106 -47.2796 GPRESSURE: 4784800 -122.319 43.2152 -124.679 68.0981 11.2814 -116.967 -68.4788 -88.9599 -20.8212 PRESSAVG: 4784800 -15.815 -41.8604 -6.98041 -41.8604 -6.62836 -18.3925 -6.98042 -18.3925 25.9479 GPRESSAVG: 4784800 -14.5797 -41.1071 -5.32218 -40.5291 -7.86651 -15.8063 -7.98234 -20.8246 26.3928 TIMING: 4784800 CPU: 14202.1, 0.00295554/step Wall: 14202.1, 0.00295554/step, 0.176676 hours remaining, 208.207031 MB of memory in use. ENERGY: 4784800 760.0623 2133.1691 1911.1890 120.1251 -206142.9570 17769.0772 0.0000 0.0000 34197.2777 -149252.0566 298.6533 -183449.3343 -149152.4003 299.2650 -75.8437 -43.9529 558214.3269 1.1682 1.3155 PRESSURE: 4785000 -304.09 -141.098 99.6364 -141.099 443.563 -11.2426 99.637 -11.243 176.859 GPRESSURE: 4785000 -284.323 -146.004 120.809 -54.429 488.587 -10.8325 91.2527 -8.75976 203.341 PRESSAVG: 4785000 -57.3341 3.28999 -17.3874 3.29006 15.6578 -2.12556 -17.3874 -2.12554 66.2453 GPRESSAVG: 4785000 -58.1755 4.41086 -20.0485 0.579587 15.8568 -4.82679 -13.7397 -1.16691 66.6768 TIMING: 4785000 CPU: 14202.7, 0.00293573/step Wall: 14202.7, 0.00293573/step, 0.175328 hours remaining, 208.464844 MB of memory in use. ENERGY: 4785000 773.1825 2092.6168 1914.8227 116.2880 -206632.8957 18175.5088 0.0000 0.0000 34299.2766 -149261.2003 299.5441 -183560.4768 -149161.7981 299.3504 105.4441 135.8682 557764.1209 8.1897 8.1194 PRESSURE: 4785200 -205.745 1.29103 75.9913 1.29165 -247.487 -56.6478 75.992 -56.6494 43.6574 GPRESSURE: 4785200 -131.519 -17.3441 43.6455 -22.4136 -190.723 -17.2089 130.82 -30.9283 0.8691 PRESSAVG: 4785200 2.18367 -11.6964 -30.5636 -11.6965 10.6032 -27.2503 -30.5634 -27.2502 34.9994 GPRESSAVG: 4785200 2.46355 -12.3255 -29.2559 -10.3008 10.1574 -26.6425 -34.4286 -26.5434 35.6392 TIMING: 4785200 CPU: 14203.3, 0.00292035/step Wall: 14203.3, 0.00292035/step, 0.174248 hours remaining, 208.464844 MB of memory in use. ENERGY: 4785200 763.6009 2074.6147 1922.2512 115.8044 -206403.5917 17805.0731 0.0000 0.0000 34373.7551 -149348.4924 300.1946 -183722.2475 -149251.6537 299.4045 -136.5248 -107.1244 558370.7131 15.9287 16.0867 PRESSURE: 4785400 -84.5663 -57.0621 -45.5175 -57.0607 -143.18 215.153 -45.5158 215.153 -74.2677 GPRESSURE: 4785400 -94.3812 -46.1743 -52.1253 -38.274 -68.552 239.751 -12.9748 159.717 -36.28 PRESSAVG: 4785400 18.2152 -24.6449 -4.70742 -24.645 -65.2623 20.7143 -4.7074 20.7143 1.84518 GPRESSAVG: 4785400 17.9835 -23.7946 -4.70797 -24.6921 -65.1033 21.2696 -3.59376 21.8024 1.7597 TIMING: 4785400 CPU: 14203.9, 0.00293143/step Wall: 14203.9, 0.00293143/step, 0.174746 hours remaining, 208.464844 MB of memory in use. ENERGY: 4785400 741.5498 2136.0505 1934.1885 102.4354 -206219.3564 17828.6298 0.0000 0.0000 34178.1160 -149298.3865 298.4860 -183476.5025 -149200.7613 299.7514 -100.6713 -66.4044 557891.9197 -15.0673 -15.1200 PRESSURE: 4785600 -187.114 -146.752 132.892 -146.752 -100.428 -87.5706 132.892 -87.5722 -66.4136 GPRESSURE: 4785600 -126.631 -180.183 89.7557 -58.0186 -100.743 -154.242 153.394 -46.9332 -24.042 PRESSAVG: 4785600 -37.3089 33.777 9.55561 33.7771 13.3839 18.6092 9.5556 18.6091 0.087692 GPRESSAVG: 4785600 -36.9444 32.1343 7.01653 34.1966 13.5732 16.2408 12.4351 18.4904 -0.450993 TIMING: 4785600 CPU: 14204.5, 0.00292473/step Wall: 14204.5, 0.00292473/step, 0.174184 hours remaining, 208.464844 MB of memory in use. ENERGY: 4785600 754.3899 2135.4598 1923.3184 104.1344 -206311.7315 17680.7555 0.0000 0.0000 34315.5290 -149398.1446 299.6861 -183713.6736 -149291.9009 298.6138 -117.9853 -83.8054 557458.3030 -7.9458 -7.9407 PRESSURE: 4785800 -227.611 -37.7253 -38.6741 -37.7249 -85.4411 -118.735 -38.6742 -118.735 88.6499 GPRESSURE: 4785800 -183.699 -87.5476 -106.044 -19.6971 -45.5626 -231.954 91.1119 -6.61346 102.66 PRESSAVG: 4785800 81.8155 4.67638 -2.51015 4.67653 -59.5441 -30.8244 -2.51012 -30.8244 -12.1607 GPRESSAVG: 4785800 82.217 5.56987 -1.00529 1.73505 -59.2842 -31.2151 -5.34642 -29.5051 -12.5074 TIMING: 4785800 CPU: 14205, 0.00291789/step Wall: 14205, 0.00291789/step, 0.173614 hours remaining, 208.464844 MB of memory in use. ENERGY: 4785800 711.3267 2102.2698 1919.3050 105.2948 -206415.6377 17926.4521 0.0000 0.0000 34157.9233 -149493.0660 298.3096 -183650.9893 -149389.9186 299.2276 -74.8006 -42.2007 558566.4022 3.3702 3.4751 PRESSURE: 4786000 19.5496 -5.65013 -127.606 -5.64919 1.10069 24.638 -127.607 24.6386 -211.207 GPRESSURE: 4786000 46.4688 49.8266 -128.896 23.3048 30.6565 86.4653 -125.88 -12.886 -153.05 PRESSAVG: 4786000 -31.2731 -51.0118 3.95355 -51.0119 53.0139 7.63413 3.95355 7.63401 -10.7209 GPRESSAVG: 4786000 -29.9907 -51.6512 5.45406 -46.8095 52.9297 10.1123 3.11475 5.92506 -11.4913 TIMING: 4786000 CPU: 14205.6, 0.00291996/step Wall: 14205.6, 0.00291996/step, 0.173576 hours remaining, 208.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4786000 741.4093 2034.3805 1952.4070 100.7179 -206330.5494 17741.6352 0.0000 0.0000 34234.5122 -149525.4874 298.9785 -183759.9996 -149429.2616 298.2418 -63.5189 -25.3084 557163.5822 3.6733 3.8159 PRESSURE: 4786200 -205.381 -255.423 -23.1307 -255.424 -168.262 39.8597 -23.1315 39.8586 -22.7223 GPRESSURE: 4786200 -155.409 -197.472 -56.9828 -254.799 -140.435 48.1535 -15.1254 28.7077 -10.4837 PRESSAVG: 4786200 68.3317 -29.9899 -10.5502 -29.9899 -18.1135 33.1566 -10.5503 33.1567 -17.7885 GPRESSAVG: 4786200 65.8167 -28.0917 -12.5714 -33.7922 -17.161 31.6581 -10.5561 31.4545 -16.4248 TIMING: 4786200 CPU: 14206.2, 0.00293855/step Wall: 14206.2, 0.00293855/step, 0.174517 hours remaining, 208.464844 MB of memory in use. ENERGY: 4786200 749.8689 2053.8025 1952.4101 122.6625 -206736.9194 17984.1926 0.0000 0.0000 34274.4814 -149599.5015 299.3276 -183873.9829 -149501.5047 298.4002 -132.1219 -102.1091 557466.0981 10.8099 10.7436 PRESSURE: 4786400 180.204 17.6063 -13.7911 17.6057 -207.451 39.3607 -13.7893 39.3604 1.31268 GPRESSURE: 4786400 179.436 69.465 -150.93 -11.8464 -154.145 11.3901 125.704 -21.2585 56.4955 PRESSAVG: 4786400 21.1229 -36.5946 -0.920481 -36.5946 -29.5808 29.8927 -0.920372 29.8927 35.0985 GPRESSAVG: 4786400 21.1501 -39.0767 -0.098099 -34.1035 -31.0727 32.6578 -0.453863 27.7362 36.5835 TIMING: 4786400 CPU: 14206.8, 0.00295057/step Wall: 14206.8, 0.00295057/step, 0.175067 hours remaining, 208.464844 MB of memory in use. ENERGY: 4786400 727.9233 2136.6343 1928.3578 95.0110 -206666.7569 17896.9511 0.0000 0.0000 34266.0964 -149615.7830 299.2543 -183881.8794 -149509.1126 298.4492 -8.6448 27.2621 556039.3088 8.8802 8.8870 PRESSURE: 4786600 17.1958 -176.739 107.488 -176.741 -19.0895 -7.31054 107.487 -7.31266 65.3869 GPRESSURE: 4786600 40.3279 -171.711 181.426 -115.631 39.9898 23.6925 117.939 21.593 83.5462 PRESSAVG: 4786600 42.0068 -52.8456 -16.6761 -52.8457 -33.1546 -20.0419 -16.676 -20.042 20.9795 GPRESSAVG: 4786600 42.2958 -53.3725 -16.1204 -52.2017 -31.9113 -23.2634 -15.7933 -15.354 19.0592 TIMING: 4786600 CPU: 14207.4, 0.00292712/step Wall: 14207.4, 0.00292712/step, 0.173513 hours remaining, 208.464844 MB of memory in use. ENERGY: 4786600 767.5734 2122.4120 1951.6753 113.6914 -206600.3034 17883.3213 0.0000 0.0000 34169.9138 -149591.7163 298.4144 -183761.6301 -149491.8866 298.6633 21.1644 54.6213 557117.8124 9.9439 9.8146 PRESSURE: 4786800 -32.6346 -3.1889 -106.659 -3.19115 -35.5886 -71.9128 -106.659 -71.9134 -83.9977 GPRESSURE: 4786800 25.831 -24.9321 -63.0216 31.074 -1.05817 -2.5198 -84.6658 -81.1956 -81.6589 PRESSAVG: 4786800 -18.7075 -21.5753 3.01391 -21.5754 -55.4746 28.7645 3.0139 28.7645 38.2721 GPRESSAVG: 4786800 -19.2591 -21.5502 4.03016 -22.2322 -55.6731 30.2674 3.70589 27.9897 38.7758 TIMING: 4786800 CPU: 14208, 0.00293255/step Wall: 14208, 0.00293255/step, 0.173672 hours remaining, 208.464844 MB of memory in use. ENERGY: 4786800 767.8252 2136.3053 1998.4647 111.8193 -206444.0549 17831.1584 0.0000 0.0000 34190.4519 -149408.0302 298.5937 -183598.4821 -149310.5521 298.8000 -50.7403 -18.9620 557138.6821 -11.9700 -12.0521 PRESSURE: 4787000 -5.97919 -166.799 -24.1564 -166.798 -97.6913 63.5324 -24.1573 63.5328 6.22062 GPRESSURE: 4787000 65.4552 -112.923 -72.2863 -103.061 -43.304 14.4253 -80.4634 49.3259 -24.9621 PRESSAVG: 4787000 11.3047 -30.5641 -13.3798 -30.5641 -8.66068 25.2861 -13.3798 25.2861 23.2942 GPRESSAVG: 4787000 11.7732 -28.2107 -12.8633 -31.9982 -8.8556 25.0685 -13.9628 23.8844 23.0176 TIMING: 4787000 CPU: 14208.6, 0.00291193/step Wall: 14208.6, 0.00291193/step, 0.172289 hours remaining, 208.464844 MB of memory in use. ENERGY: 4787000 711.9300 2118.9935 1961.0532 106.1128 -206471.1318 17900.6871 0.0000 0.0000 34092.2600 -149580.0953 297.7362 -183672.3553 -149488.5679 298.5278 -32.4833 -0.9370 555830.5451 8.6461 8.6451 PRESSURE: 4787200 77.2742 -27.9641 -22.2554 -27.965 -192.535 -89.889 -22.2572 -89.89 -232.804 GPRESSURE: 4787200 74.7593 -3.35786 2.9129 -21.6866 -169.129 -107.066 -100.645 -7.83278 -165.498 PRESSAVG: 4787200 49.419 -24.1666 -5.06493 -24.1665 -0.28472 -18.3214 -5.06497 -18.3214 12.181 GPRESSAVG: 4787200 50.012 -24.8513 -6.39563 -22.8098 0.0972358 -17.513 -6.99638 -18.8262 11.3439 TIMING: 4787200 CPU: 14209.1, 0.0029495/step Wall: 14209.1, 0.0029495/step, 0.174349 hours remaining, 208.464844 MB of memory in use. ENERGY: 4787200 739.0456 2169.9172 1944.2981 116.3021 -206682.8745 17828.6176 0.0000 0.0000 34324.7217 -149559.9721 299.7663 -183884.6938 -149466.7402 298.4080 -116.0214 -86.6227 555773.1438 20.4384 20.4844 PRESSURE: 4787400 57.6005 29.1516 20.9325 29.1515 -78.8918 0.0480865 20.9328 0.0473447 336.305 GPRESSURE: 4787400 55.4821 -42.2727 6.66169 75.7037 35.0707 3.64699 26.9658 29.4613 329.633 PRESSAVG: 4787400 9.95503 59.922 13.5977 59.922 -24.17 -16.3188 13.5977 -16.3188 7.69986 GPRESSAVG: 4787400 9.26004 58.8386 15.1101 58.1099 -25.8736 -18.208 14.4926 -14.4699 9.55733 TIMING: 4787400 CPU: 14209.7, 0.00297213/step Wall: 14209.7, 0.00297213/step, 0.175521 hours remaining, 208.464844 MB of memory in use. ENERGY: 4787400 721.3618 2107.9452 1918.1630 102.7563 -206509.3417 18064.1555 0.0000 0.0000 34226.0221 -149368.9379 298.9044 -183594.9600 -149276.5695 298.9027 105.0045 140.0618 555952.5806 -2.1717 -2.3521 PRESSURE: 4787600 -92.3195 43.9982 -75.7076 43.9978 -32.7082 89.9773 -75.7092 89.9776 131.395 GPRESSURE: 4787600 -72.0118 9.51934 -63.4093 105.405 -4.22091 -6.62125 -45.0346 91.1709 170.985 PRESSAVG: 4787600 -26.4635 39.5223 -11.9517 39.5223 -4.64254 -19.6387 -11.9518 -19.6387 53.6224 GPRESSAVG: 4787600 -25.8968 41.363 -12.1619 40.724 -3.36311 -20.0105 -13.1631 -21.7213 51.8672 TIMING: 4787600 CPU: 14210.3, 0.00296835/step Wall: 14210.3, 0.00296835/step, 0.175133 hours remaining, 208.464844 MB of memory in use. ENERGY: 4787600 775.7466 2073.6038 1954.6791 104.1548 -206528.8012 17943.9486 0.0000 0.0000 34317.7087 -149358.9596 299.7051 -183676.6683 -149271.5896 298.7004 2.1224 31.5842 558361.7061 7.5055 7.5357 PRESSURE: 4787800 -81.7581 88.406 -34.903 88.4064 -97.8805 10.5196 -34.9023 10.52 -146.703 GPRESSURE: 4787800 -63.9158 40.5799 66.4511 28.4199 -34.674 94.6078 -99.6448 26.1739 -122.29 PRESSAVG: 4787800 -3.03544 33.4434 52.5871 33.4434 8.11529 31.6855 52.5871 31.6856 -1.9592 GPRESSAVG: 4787800 -3.40583 30.8453 53.8176 34.5686 7.95993 31.7534 54.8124 33.5533 -1.52965 TIMING: 4787800 CPU: 14210.9, 0.00297169/step Wall: 14210.9, 0.00297169/step, 0.175164 hours remaining, 208.464844 MB of memory in use. ENERGY: 4787800 759.3525 2107.3673 1934.7075 107.7291 -206024.2608 17737.7930 0.0000 0.0000 33900.3553 -149476.9561 296.0602 -183377.3115 -149387.9717 298.6122 -108.7806 -73.6264 558364.3902 1.0402 1.0081 PRESSURE: 4788000 -267.564 103.27 27.7576 103.271 -229.144 -165.714 27.758 -165.713 -131.937 GPRESSURE: 4788000 -232.816 125.667 -62.0164 30.736 -222.351 -173.836 31.6938 -162.209 -73.0077 PRESSAVG: 4788000 -29.6406 1.90501 8.86217 1.90499 44.3571 -20.5627 8.86226 -20.5628 -14.5448 GPRESSAVG: 4788000 -29.9076 1.17457 8.97516 1.06554 45.5088 -19.0433 7.61136 -22.3085 -14.8852 TIMING: 4788000 CPU: 14211.5, 0.00296204/step Wall: 14211.5, 0.00296204/step, 0.174431 hours remaining, 208.464844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4788000 743.2626 2068.0232 1958.8717 109.3507 -206057.2105 17566.6177 0.0000 0.0000 34177.6993 -149433.3854 298.4823 -183611.0847 -149334.8124 298.3882 -209.5484 -176.0582 560043.6408 0.0572 0.2387 PRESSURE: 4788200 -74.9329 154.753 -15.5632 154.754 37.9192 -126.175 -15.5629 -126.175 168.417 GPRESSURE: 4788200 -78.1055 139.422 -47.2199 205.534 44.981 -126.473 46.6195 -65.7203 261.601 PRESSAVG: 4788200 5.18582 53.2196 -22.8456 53.2196 2.93902 -45.2047 -22.8456 -45.2047 -5.90109 GPRESSAVG: 4788200 5.34412 53.9319 -23.9086 53.4128 1.90977 -46.2725 -22.8509 -44.9524 -4.44761 TIMING: 4788200 CPU: 14212.1, 0.0029506/step Wall: 14212.1, 0.0029506/step, 0.173594 hours remaining, 208.464844 MB of memory in use. ENERGY: 4788200 761.8211 2110.6756 1941.0434 123.2975 -206680.6409 18166.5980 0.0000 0.0000 34401.2727 -149175.9326 300.4349 -183577.2053 -149079.9183 299.5911 43.8011 76.1588 558752.1834 0.7413 0.9354 LDB: ============= START OF LOAD BALANCING ============== 14215.6 LDB: ============== END OF LOAD BALANCING =============== 14215.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14215.6 LDB: ============= START OF LOAD BALANCING ============== 14215.9 LDB: Largest compute 4801 load 0.022507 is 19.0% of average load 0.118169 LDB: Average compute 0.001733 is 1.5% of average load 0.118169 LDB: TIME 14215.9 LOAD: AVG 0.118169 MAX 0.196236 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.039 MB LDB: TIME 14215.9 LOAD: AVG 0.118169 MAX 0.196236 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.242 MB LDB: TIME 14215.9 LOAD: AVG 0.118169 MAX 0.196236 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.242 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14215.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14215.9 PRESSURE: 4788400 -58.5577 76.9514 18.6348 76.95 -185.398 -52.6318 18.6356 -52.6315 -114.364 GPRESSURE: 4788400 -9.70461 -8.30207 -120.499 54.9204 -174.449 -15.2153 32.2336 55.4662 -94.1636 PRESSAVG: 4788400 -73.6769 -6.28967 7.63945 -6.28965 49.9272 -45.2088 7.63953 -45.2089 30.2357 GPRESSAVG: 4788400 -73.3636 -5.55681 7.1221 -5.92807 49.803 -46.0532 7.03 -43.6083 29.3158 TIMING: 4788400 CPU: 14212.7, 0.00297411/step Wall: 14212.7, 0.00297411/step, 0.174812 hours remaining, 207.835938 MB of memory in use. ENERGY: 4788400 762.2458 2034.7931 1939.4395 105.5415 -206020.1724 17835.0438 0.0000 0.0000 34164.9380 -149178.1707 298.3709 -183343.1087 -149069.5815 299.2799 -119.4399 -92.7724 558498.2518 2.1620 1.9184 PRESSURE: 4788600 156.095 170.472 27.8529 170.472 -342.335 -118.292 27.8528 -118.291 165.789 GPRESSURE: 4788600 220.526 214.335 40.2722 164.158 -272.849 -73.4726 60.9904 -194.94 130.274 PRESSAVG: 4788600 16.449 9.22294 -20.6691 9.22299 -2.49742 -76.3948 -20.6692 -76.3948 3.81196 GPRESSAVG: 4788600 15.9954 10.6339 -20.5593 8.01545 -3.17188 -75.3206 -20.2281 -77.8822 4.48641 TIMING: 4788600 CPU: 14213.3, 0.00292958/step Wall: 14213.3, 0.00292958/step, 0.172031 hours remaining, 207.835938 MB of memory in use. ENERGY: 4788600 790.7112 2083.6385 1889.6297 128.6909 -206263.4157 17953.8717 0.0000 0.0000 34369.7805 -149047.0933 300.1598 -183416.8738 -148950.8373 300.1777 -6.8172 25.9839 558068.9129 5.9212 5.7700 PRESSURE: 4788800 35.3339 -160.806 -5.00341 -160.805 -86.182 269.082 -5.00351 269.082 -242.861 GPRESSURE: 4788800 79.1009 -180.367 37.9803 -179 -66.2504 203.62 -4.6552 274.229 -199.697 PRESSAVG: 4788800 44.4783 22.6714 -39.7396 22.6713 -33.1313 -93.5478 -39.7397 -93.5477 22.062 GPRESSAVG: 4788800 44.4211 23.0904 -39.8664 20.6315 -33.2148 -96.5827 -38.8401 -92.1735 22.5537 TIMING: 4788800 CPU: 14213.9, 0.00291596/step Wall: 14213.9, 0.00291596/step, 0.17107 hours remaining, 207.835938 MB of memory in use. ENERGY: 4788800 731.1921 2050.5861 1936.4282 121.4607 -205921.1033 17578.4331 0.0000 0.0000 34255.7677 -149247.2355 299.1641 -183503.0031 -149153.0241 299.5749 -97.9031 -62.2823 557062.7183 11.1364 11.2533 PRESSURE: 4789000 -21.746 70.9352 66.5915 70.9359 -229.162 12.9917 66.5912 12.9912 279.164 GPRESSURE: 4789000 4.92922 13.2874 -10.2268 144.697 -224.375 17.2293 99.9955 95.4859 328.056 PRESSAVG: 4789000 15.7438 -31.928 -17.3651 -31.928 -60.7458 0.54101 -17.3652 0.541049 10.5503 GPRESSAVG: 4789000 15.6417 -32.7108 -16.4037 -30.1031 -60.4457 4.90823 -19.1493 -2.18825 10.4522 TIMING: 4789000 CPU: 14214.5, 0.00292548/step Wall: 14214.5, 0.00292548/step, 0.171466 hours remaining, 207.835938 MB of memory in use. ENERGY: 4789000 780.9811 2101.1865 1913.1822 119.9418 -206234.0045 17798.4653 0.0000 0.0000 34286.2414 -149234.0063 299.4303 -183520.2477 -149140.1023 299.0596 9.4186 36.2032 555658.9375 -11.4839 -11.4506 PRESSURE: 4789200 -31.261 43.1576 2.55617 43.1594 117.62 103.43 2.55626 103.43 18.4522 GPRESSURE: 4789200 36.4637 0.29092 98.8408 79.1168 118.036 -6.38903 34.6081 61.6309 55.7861 PRESSAVG: 4789200 63.3243 -44.1123 -19.7235 -44.1122 10.4226 4.61741 -19.7235 4.61738 -22.9904 GPRESSAVG: 4789200 63.284 -42.1863 -21.0338 -44.4197 10.6681 2.35072 -18.2558 6.75072 -22.7415 TIMING: 4789200 CPU: 14215, 0.00290666/step Wall: 14215, 0.00290666/step, 0.170201 hours remaining, 207.835938 MB of memory in use. ENERGY: 4789200 743.8958 2085.4942 1969.2883 124.0936 -206133.7355 17844.3097 0.0000 0.0000 34076.0875 -149290.5663 297.5949 -183366.6539 -149203.5345 299.3149 34.9371 70.0953 555103.4524 16.9188 17.0702 PRESSURE: 4789400 48.7146 -144.565 -74.6789 -144.566 300.271 -131.95 -74.6787 -131.949 17.3937 GPRESSURE: 4789400 64.5856 -72.026 -12.3134 -237.859 367.466 -31.1353 -113.425 -177.329 27.5768 PRESSAVG: 4789400 70.6917 -28.1667 30.5492 -28.1667 -34.4077 -17.1655 30.5491 -17.1656 -101.815 GPRESSAVG: 4789400 70.4527 -31.1754 29.4912 -28.7247 -33.4923 -15.7327 31.0984 -18.9014 -102.77 TIMING: 4789400 CPU: 14215.6, 0.00289801/step Wall: 14215.6, 0.00289801/step, 0.169533 hours remaining, 207.835938 MB of memory in use. ENERGY: 4789400 732.8088 2093.1991 1924.0193 111.7496 -206570.8304 17970.9699 0.0000 0.0000 34594.8432 -149143.2405 302.1254 -183738.0837 -149048.4284 299.4131 122.1263 153.2095 555534.4509 -21.8435 -21.9366 PRESSURE: 4789600 -139.965 87.5555 85.4849 87.5541 91.8334 -230.033 85.4842 -230.031 392.324 GPRESSURE: 4789600 -118.827 47.4178 58.6496 90.0195 146.418 -187.883 90.8955 -186.571 416.532 PRESSAVG: 4789600 -50.927 3.09817 -0.434371 3.09812 16.8112 4.57222 -0.434243 4.57218 5.82175 GPRESSAVG: 4789600 -51.5608 4.03981 1.90876 5.60003 16.6219 3.99588 -3.23687 4.88119 6.08016 TIMING: 4789600 CPU: 14216.2, 0.00291538/step Wall: 14216.2, 0.00291537/step, 0.170387 hours remaining, 207.835938 MB of memory in use. ENERGY: 4789600 774.9199 2018.5162 1936.9617 112.9488 -206452.9041 18060.7532 0.0000 0.0000 34418.0769 -149130.7275 300.5816 -183548.8044 -149039.9290 300.0347 114.7308 148.0410 556088.5444 -9.4314 -9.6196 PRESSURE: 4789800 -169.365 93.7807 94.8794 93.7794 -218.173 -101.234 94.8786 -101.232 -178.507 GPRESSURE: 4789800 -135.635 44.0675 138.804 51.1689 -192.078 -56.6645 108.725 -81.3225 -133.563 PRESSAVG: 4789800 -36.0511 19.8654 -11.8323 19.8655 14.9774 -40.2703 -11.8324 -40.2704 23.8284 GPRESSAVG: 4789800 -35.8901 19.2574 -14.2823 18.5178 14.7947 -42.0906 -9.84424 -40.0355 23.6055 TIMING: 4789800 CPU: 14216.8, 0.00292434/step Wall: 14216.8, 0.00292434/step, 0.170749 hours remaining, 207.835938 MB of memory in use. ENERGY: 4789800 761.8870 2056.0333 1946.1654 107.3963 -205633.5336 17469.1452 0.0000 0.0000 34215.0782 -149077.8282 298.8088 -183292.9064 -148979.2645 299.7898 -188.6818 -153.7585 559254.4069 0.9183 0.8367 PRESSURE: 4790000 -195.77 -38.4601 88.0513 -38.46 -50.3802 -17.7792 88.0509 -17.7782 -363.761 GPRESSURE: 4790000 -137.345 -1.83617 42.2752 -87.6723 -31.0263 29.0459 50.7829 -97.0872 -339.388 PRESSAVG: 4790000 0.852045 -9.55786 -40.8944 -9.55783 8.84365 -35.4184 -40.8945 -35.4183 20.6066 GPRESSAVG: 4790000 1.80496 -6.84337 -39.8391 -12.1305 8.42499 -34.3239 -42.0453 -36.4463 20.2305 TIMING: 4790000 CPU: 14217.4, 0.00292631/step Wall: 14217.4, 0.00292631/step, 0.170702 hours remaining, 207.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4790000 796.4758 2133.9883 1924.0753 115.7685 -205749.4933 17556.8858 0.0000 0.0000 34154.8333 -149067.4662 298.2827 -183222.2995 -148971.5657 299.4011 -203.3038 -169.2531 558787.9050 10.1008 10.1535 PRESSURE: 4790200 79.1951 -164.798 10.3205 -164.798 -235.452 33.7443 10.321 33.7456 48.123 GPRESSURE: 4790200 89.4251 -199.652 -50.3682 -218.119 -157.803 -31.1308 82.8035 76.2571 74.8859 PRESSAVG: 4790200 -79.7799 51.5578 -8.79132 51.5577 18.0838 20.7357 -8.79132 20.7358 42.6893 GPRESSAVG: 4790200 -80.7813 49.3846 -6.67826 52.2618 18.0879 21.1174 -9.30691 20.9521 43.9863 TIMING: 4790200 CPU: 14218, 0.0029495/step Wall: 14218, 0.0029495/step, 0.17189 hours remaining, 207.835938 MB of memory in use. ENERGY: 4790200 755.8188 2153.5994 1935.3015 113.1148 -206183.2674 17876.7698 0.0000 0.0000 34268.4577 -149080.2054 299.2750 -183348.6631 -148988.3214 299.7804 -36.0447 2.1693 557504.8212 -6.3356 -6.2357 PRESSURE: 4790400 -139.21 39.7283 -115.272 39.7296 14.0433 -5.77777 -115.271 -5.7782 -131.838 GPRESSURE: 4790400 -92.9119 74.3234 -93.0611 40.7443 14.371 53.4167 -34.2844 7.26693 -80.3476 PRESSAVG: 4790400 17.4478 -90.4086 45.1354 -90.4086 -27.3052 43.9966 45.1354 43.9964 16.8615 GPRESSAVG: 4790400 18.5149 -91.8697 43.2134 -89.2523 -27.2986 44.063 46.7802 44.658 15.9884 TIMING: 4790400 CPU: 14218.6, 0.00296867/step Wall: 14218.6, 0.00296867/step, 0.172842 hours remaining, 207.835938 MB of memory in use. ENERGY: 4790400 747.1832 2120.3015 1927.4579 114.2615 -206248.5045 17702.0822 0.0000 0.0000 34396.6834 -149240.5348 300.3948 -183637.2182 -149152.3306 300.0815 -85.6683 -52.9628 558980.8156 2.3347 2.4016 PRESSURE: 4790600 -44.2519 -19.108 -131.745 -19.1073 -138.703 53.3936 -131.745 53.3936 -74.8327 GPRESSURE: 4790600 -29.4173 -39.4827 -97.7665 10.242 -105.565 40.2331 -155.713 51.1913 -19.4657 PRESSAVG: 4790600 14.5691 80.3077 82.3281 80.3077 -22.8526 5.12058 82.328 5.1207 40.5824 GPRESSAVG: 4790600 13.6295 81.9144 83.5857 79.6549 -23.4254 3.28882 82.4728 6.27863 42.1337 TIMING: 4790600 CPU: 14219.1, 0.00295847/step Wall: 14219.1, 0.00295847/step, 0.172084 hours remaining, 207.835938 MB of memory in use. ENERGY: 4790600 764.7012 2070.4782 1911.1287 111.4253 -206161.2635 17729.5038 0.0000 0.0000 34346.5445 -149227.4818 299.9569 -183574.0263 -149131.6961 299.2984 -85.9294 -51.4825 558483.5636 10.7663 10.7793 PRESSURE: 4790800 45.1739 -49.1898 37.7152 -49.1893 -98.5327 -68.2579 37.7141 -68.2579 194.014 GPRESSURE: 4790800 69.0904 80.091 99.016 -91.8668 -67.5869 -80.2092 -27.8872 -91.181 239.311 PRESSAVG: 4790800 67.9766 -18.7534 15.1111 -18.7534 -32.6706 20.9801 15.1111 20.9801 -25.9852 GPRESSAVG: 4790800 67.8455 -17.831 13.9317 -20.1383 -31.7213 25.034 13.7724 20.2398 -27.0137 TIMING: 4790800 CPU: 14219.7, 0.00295528/step Wall: 14219.7, 0.00295528/step, 0.171735 hours remaining, 207.835938 MB of memory in use. ENERGY: 4790800 762.1792 2108.9210 1911.6418 107.4773 -206442.3097 17987.2024 0.0000 0.0000 34395.7170 -149169.1708 300.3864 -183564.8878 -149074.2224 299.2827 46.8851 80.2714 556869.4542 3.1070 3.0368 PRESSURE: 4791000 154.328 -85.7719 24.0102 -85.7717 -91.8472 -131.135 24.0113 -131.134 -283.784 GPRESSURE: 4791000 162.695 -103.047 54.1806 -53.7983 -67.7504 -70.0326 60.2393 -38.2434 -216.954 PRESSAVG: 4791000 3.8782 -27.9766 28.3565 -27.9766 -63.6549 9.95515 28.3564 9.95515 75.1965 GPRESSAVG: 4791000 3.44692 -28.3055 29.9987 -25.9412 -62.9268 7.15855 27.5399 9.27876 74.6141 TIMING: 4791000 CPU: 14220.3, 0.00296405/step Wall: 14220.3, 0.00296405/step, 0.17208 hours remaining, 207.835938 MB of memory in use. ENERGY: 4791000 762.6328 2049.3231 1921.3032 119.9356 -206010.1702 17797.3558 0.0000 0.0000 34374.3239 -148985.2959 300.1995 -183359.6197 -148885.7865 299.2800 -73.7677 -40.6696 558708.5613 5.1399 5.0447 PRESSURE: 4791200 191.41 -17.012 16.6788 -17.0115 77.0028 114.753 16.68 114.754 -81.7891 GPRESSURE: 4791200 200.319 -30.7135 45.8614 -14.2291 149.475 146.678 13.8186 93.9367 -65.6232 PRESSAVG: 4791200 10.9454 47.2404 18.2947 47.2404 -27.6582 5.31515 18.2948 5.3151 22.7566 GPRESSAVG: 4791200 10.3615 44.429 16.1717 47.1041 -27.9657 4.89041 20.3773 4.77076 24.4051 TIMING: 4791200 CPU: 14220.9, 0.00296529/step Wall: 14220.9, 0.00296529/step, 0.171987 hours remaining, 207.835938 MB of memory in use. ENERGY: 4791200 751.9279 2119.3218 1905.8279 109.6173 -206473.2211 18026.5447 0.0000 0.0000 34537.2407 -149022.7406 301.6223 -183559.9813 -148929.2887 300.1414 62.2080 94.7237 557837.5183 2.0146 2.2670 PRESSURE: 4791400 -290.316 -49.995 60.0772 -49.9952 -117.464 104.123 60.0768 104.124 30.2461 GPRESSURE: 4791400 -244.612 -16.4695 25.8012 38.5012 -59.9561 73.1937 127.081 181.739 32.0577 PRESSAVG: 4791400 10.8171 77.5805 33.2279 77.5804 -10.4054 86.3857 33.2279 86.3857 32.1098 GPRESSAVG: 4791400 11.8585 80.3152 34.3412 79.4551 -8.95444 87.7228 32.5838 87.1467 29.6232 TIMING: 4791400 CPU: 14221.5, 0.00299323/step Wall: 14221.5, 0.00299323/step, 0.173441 hours remaining, 207.835938 MB of memory in use. ENERGY: 4791400 803.8730 2121.7483 1903.1662 131.1134 -205986.7680 17792.6875 0.0000 0.0000 34202.3804 -149031.7992 298.6979 -183234.1796 -148945.9047 300.7625 -125.8447 -90.8368 558396.8179 10.8405 10.8424 PRESSURE: 4791600 -66.1873 52.5168 122.127 52.5152 -131.114 -20.3866 122.126 -20.3874 114.982 GPRESSURE: 4791600 -86.9258 -39.5723 125 56.3269 -63.3739 40.4429 -14.2435 46.5277 152.427 PRESSAVG: 4791600 37.4546 35.8596 -22.0832 35.8598 -44.3131 59.8214 -22.0833 59.8214 14.7143 GPRESSAVG: 4791600 36.4186 36.1105 -22.7007 31.9734 -43.7188 60.7232 -22.2693 58.8055 15.4462 TIMING: 4791600 CPU: 14222.1, 0.00299821/step Wall: 14222.1, 0.00299821/step, 0.173563 hours remaining, 207.835938 MB of memory in use. ENERGY: 4791600 761.9667 2141.5037 1912.2791 108.9326 -205862.8702 17575.3713 0.0000 0.0000 34201.0565 -149161.7603 298.6863 -183362.8168 -149067.3337 299.6670 -27.4397 0.7090 556775.5249 2.6186 2.7153 PRESSURE: 4791800 -155.638 110.293 9.25866 110.294 73.594 -4.00541 9.25893 -4.00592 23.9329 GPRESSURE: 4791800 -74.585 150.938 20.97 101.581 36.3926 4.32637 -91.1313 20.4585 65.2637 PRESSAVG: 4791800 -7.62907 30.1566 8.1272 30.1567 -10.8158 -5.57283 8.12724 -5.57281 17.2953 GPRESSAVG: 4791800 -7.09723 28.6845 7.13035 33.3469 -12.3021 -6.33247 7.79508 -5.41338 18.0384 TIMING: 4791800 CPU: 14222.7, 0.00295104/step Wall: 14222.7, 0.00295104/step, 0.170669 hours remaining, 207.835938 MB of memory in use. ENERGY: 4791800 740.9587 2162.2394 1919.4161 126.0755 -206122.7692 17773.9390 0.0000 0.0000 34257.9099 -149142.2306 299.1828 -183400.1404 -149042.1593 299.5546 -19.3703 9.0238 557766.9749 -0.3832 -0.4537 PRESSURE: 4792000 -155.828 -66.1137 -80.385 -66.113 -30.6632 70.4937 -80.3835 70.4911 260.721 GPRESSURE: 4792000 -131.71 -123.216 -159.238 -27.6247 -24.1663 86.5757 -87.2308 77.6439 345.517 PRESSAVG: 4792000 -40.56 9.95066 -7.99039 9.95076 4.55504 61.2621 -7.99039 61.2621 34.0948 GPRESSAVG: 4792000 -41.2771 10.9496 -6.01082 8.0772 5.14008 61.05 -7.8222 61.1692 34.5531 TIMING: 4792000 CPU: 14223.3, 0.00292961/step Wall: 14223.3, 0.00292961/step, 0.169266 hours remaining, 207.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4792000 705.3484 2139.4830 1923.5870 114.9978 -206237.0150 17881.4212 0.0000 0.0000 34296.7763 -149175.4013 299.5223 -183472.1776 -149080.5852 299.3563 24.7432 63.2135 557437.1675 -0.6367 -0.5280 PRESSURE: 4792200 -179.097 110.688 -24.4784 110.687 -382.817 -19.4749 -24.4776 -19.4766 -318.543 GPRESSURE: 4792200 -93.8216 113.25 36.0738 115.987 -331.605 -53.1362 -44.5031 -5.90187 -350.187 PRESSAVG: 4792200 -68.0324 22.773 -27.1023 22.773 -28.6802 32.9742 -27.1022 32.974 64.2848 GPRESSAVG: 4792200 -67.2868 24.2579 -28.0967 21.7426 -29.6415 34.4631 -27.3105 33.8375 64.092 TIMING: 4792200 CPU: 14223.9, 0.00292547/step Wall: 14223.9, 0.00292547/step, 0.168865 hours remaining, 207.835938 MB of memory in use. ENERGY: 4792200 752.6761 2153.1126 1951.7723 119.5336 -205983.4275 17336.0567 0.0000 0.0000 34362.1305 -149308.1458 300.0930 -183670.2763 -149210.6189 299.1303 -293.4859 -258.5380 557594.0519 -10.8093 -10.9454 LDB: ============= START OF LOAD BALANCING ============== 14227.4 LDB: ============== END OF LOAD BALANCING =============== 14227.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14227.4 LDB: ============= START OF LOAD BALANCING ============== 14227.7 LDB: Largest compute 4801 load 0.022104 is 18.7% of average load 0.118257 LDB: Average compute 0.001731 is 1.5% of average load 0.118257 LDB: TIME 14227.7 LOAD: AVG 0.118257 MAX 0.198192 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.098 MB LDB: TIME 14227.7 LOAD: AVG 0.118257 MAX 0.198192 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.16 MB LDB: TIME 14227.7 LOAD: AVG 0.118257 MAX 0.198192 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.16 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14227.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14227.7 PRESSURE: 4792400 -196.565 129.159 89.36 129.158 125.478 37.0188 89.3612 37.0202 -59.2909 GPRESSURE: 4792400 -181.136 134.862 121.937 174.829 175.132 167.998 68.6867 -75.6257 -40.5552 PRESSAVG: 4792400 -46.5812 45.6516 2.99013 45.6516 66.7378 40.5091 2.99015 40.509 9.02592 GPRESSAVG: 4792400 -46.5801 44.9101 4.26995 45.9638 66.8964 38.5583 4.57969 41.7897 9.11895 TIMING: 4792400 CPU: 14224.5, 0.00300524/step Wall: 14224.5, 0.00300524/step, 0.173302 hours remaining, 208.039062 MB of memory in use. ENERGY: 4792400 797.7358 2086.3873 1952.9328 112.8946 -206376.2531 17961.8372 0.0000 0.0000 34161.7177 -149302.7477 298.3428 -183464.4654 -149198.3310 299.4047 -43.4594 -15.5200 557437.3517 9.7275 9.8117 PRESSURE: 4792600 -182.015 -156.528 24.628 -156.527 201.912 115.544 24.6283 115.544 210.119 GPRESSURE: 4792600 -96.3838 -41.6079 64.8255 -159.079 162.256 101.227 -26.0035 184.659 244.771 PRESSAVG: 4792600 -40.7986 -11.8981 34.3546 -11.8981 33.665 0.316668 34.3547 0.316585 -38.232 GPRESSAVG: 4792600 -39.9514 -11.0789 33.5094 -10.7767 33.986 2.42238 32.0416 -0.780939 -39.0719 TIMING: 4792600 CPU: 14225.1, 0.002937/step Wall: 14225.1, 0.002937/step, 0.169204 hours remaining, 208.238281 MB of memory in use. ENERGY: 4792600 770.5743 2143.5581 1898.4081 109.6545 -206609.9888 17929.0155 0.0000 0.0000 34323.1949 -149435.5833 299.7530 -183758.7782 -149334.1300 299.3990 76.6722 103.5479 556780.1200 -15.1219 -15.0124 PRESSURE: 4792800 -185.471 9.48093 156.491 9.47996 -0.394193 -128.503 156.491 -128.502 174.945 GPRESSURE: 4792800 -134.561 -47.1236 82.1244 20.6545 18.2875 -143.53 173.545 5.30751 192.642 PRESSAVG: 4792800 -5.68659 8.41378 48.3494 8.41371 -11.0764 -8.30725 48.3494 -8.30732 10.6824 GPRESSAVG: 4792800 -5.04442 6.10131 48.7891 6.10519 -11.7224 -9.19023 48.1634 -8.13818 11.406 TIMING: 4792800 CPU: 14225.7, 0.00294603/step Wall: 14225.7, 0.00294603/step, 0.16956 hours remaining, 208.238281 MB of memory in use. ENERGY: 4792800 737.7028 2063.5505 1922.0889 114.4904 -206211.5342 17750.3285 0.0000 0.0000 34228.2181 -149395.1550 298.9235 -183623.3732 -149298.3321 298.8990 -3.6402 25.4560 556817.6481 -2.0269 -1.7869 PRESSURE: 4793000 200.558 -39.6698 -173.09 -39.6698 176.296 53.2826 -173.089 53.2806 50.0024 GPRESSURE: 4793000 200.615 -92.0268 -151.005 -79.2008 232.872 88.0373 -173.354 -57.0074 75.367 PRESSAVG: 4793000 15.1441 -19.6613 -4.30667 -19.6613 -26.1899 -1.44056 -4.30674 -1.44065 40.768 GPRESSAVG: 4793000 13.7102 -18.3745 -5.02991 -18.8227 -23.8167 -4.14977 -3.96299 -1.04611 40.3936 TIMING: 4793000 CPU: 14226.2, 0.00291067/step Wall: 14226.2, 0.00291067/step, 0.167364 hours remaining, 208.238281 MB of memory in use. ENERGY: 4793000 753.7514 2084.2751 1924.0663 107.7960 -206563.1245 18083.0047 0.0000 0.0000 34216.9451 -149393.2859 298.8251 -183610.2309 -149295.5160 298.4841 142.2854 169.6180 556569.2719 9.9074 10.0957 PRESSURE: 4793200 -252.968 -19.9799 -27.9125 -19.9799 179.561 48.1883 -27.9132 48.1887 114.089 GPRESSURE: 4793200 -149.592 -17.2468 0.900241 28.8749 155.936 29.6692 22.0274 45.3443 130.991 PRESSAVG: 4793200 28.4812 11.4307 -23.2178 11.4307 20.9014 -24.2875 -23.2177 -24.2875 -25.4417 GPRESSAVG: 4793200 28.4712 10.2015 -21.6337 11.2002 20.1205 -21.5627 -23.3002 -25.3226 -25.5802 TIMING: 4793200 CPU: 14226.8, 0.00293561/step Wall: 14226.8, 0.00293561/step, 0.168634 hours remaining, 208.238281 MB of memory in use. ENERGY: 4793200 737.5357 2083.7778 1907.7367 106.7026 -206233.4725 17836.1399 0.0000 0.0000 34121.3491 -149440.2306 297.9902 -183561.5797 -149347.5046 299.2028 13.5605 45.7785 556763.1987 7.9803 7.6705 PRESSURE: 4793400 -370.575 25.8205 -200.905 25.8219 -10.3534 -95.8418 -200.904 -95.8413 -232.205 GPRESSURE: 4793400 -319.139 27.1524 -228.362 7.71042 22.4408 -64.7156 -144.652 -131.22 -221.219 PRESSAVG: 4793400 -30.9563 -33.8863 -21.7682 -33.8863 28.3131 15.0934 -21.7682 15.0934 -3.34068 GPRESSAVG: 4793400 -29.6705 -34.5372 -22.9007 -31.7887 26.7018 15.3171 -20.8516 14.31 -2.97927 TIMING: 4793400 CPU: 14227.4, 0.00294808/step Wall: 14227.4, 0.00294808/step, 0.169187 hours remaining, 208.238281 MB of memory in use. ENERGY: 4793400 745.0304 2090.4395 1919.0594 101.4776 -205654.3056 17393.6321 0.0000 0.0000 34013.7234 -149390.9432 297.0503 -183404.6666 -149302.7425 298.0536 -204.3780 -172.6393 557980.6639 -1.9946 -1.9827 PRESSURE: 4793600 2.02422 -5.8401 40.6781 -5.83987 39.1852 -171.631 40.6797 -171.632 -137.394 GPRESSURE: 4793600 26.9546 -43.0058 -35.4067 24.5941 52.882 -219.828 94.6901 -154.119 -70.6864 PRESSAVG: 4793600 -11.2824 -30.0521 3.00492 -30.0521 58.5544 -5.4285 3.00485 -5.42844 -13.6425 GPRESSAVG: 4793600 -12.2079 -27.7514 3.8499 -31.1501 60.0536 -5.57591 3.26384 -4.33943 -13.5099 TIMING: 4793600 CPU: 14228, 0.0029468/step Wall: 14228, 0.0029468/step, 0.16895 hours remaining, 208.238281 MB of memory in use. ENERGY: 4793600 743.1517 1994.4131 1892.8733 121.0753 -206212.5849 17801.4774 0.0000 0.0000 34206.2061 -149453.3880 298.7313 -183659.5941 -149355.9777 298.2803 -32.0616 3.0501 558358.6822 11.2098 11.4453 PRESSURE: 4793800 -49.7706 45.4106 -65.0641 45.4112 48.5074 -18.0461 -65.0644 -18.0461 -70.0955 GPRESSURE: 4793800 -5.66497 137.845 25.1669 -5.8436 85.6261 -17.8522 -39.4463 14.26 -47.1227 PRESSAVG: 4793800 13.209 0.673548 37.8789 0.673606 -48.5291 31.4178 37.8789 31.4176 4.19065 GPRESSAVG: 4793800 13.2509 0.100216 37.6331 -0.333371 -48.1114 30.9137 37.6027 30.363 3.57759 TIMING: 4793800 CPU: 14228.6, 0.0029678/step Wall: 14228.6, 0.0029678/step, 0.169989 hours remaining, 208.238281 MB of memory in use. ENERGY: 4793800 748.8900 2044.1687 1933.7431 107.8687 -206694.4119 18061.1454 0.0000 0.0000 34199.5487 -149599.0472 298.6732 -183798.5959 -149504.3485 298.4403 -23.7863 10.9461 558312.1660 -10.3765 -10.4276 PRESSURE: 4794000 389.688 9.1601 -189.329 9.15951 -130.837 6.88587 -189.33 6.88482 -64.0237 GPRESSURE: 4794000 434.928 -23.3801 -205.072 80.7432 -86.6255 9.94247 -183.773 -38.431 -51.465 PRESSAVG: 4794000 23.91 12.3124 54.1773 12.3124 -11.3273 -8.22359 54.1773 -8.22357 21.9293 GPRESSAVG: 4794000 24.2361 12.2484 52.3022 13.6217 -12.8373 -9.53704 54.0411 -7.71928 22.9587 TIMING: 4794000 CPU: 14229.2, 0.00295398/step Wall: 14229.2, 0.00295398/step, 0.169033 hours remaining, 208.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4794000 753.0299 2068.6374 1934.3216 111.9064 -206521.1936 17935.2986 0.0000 0.0000 34226.5232 -149491.4764 298.9087 -183717.9996 -149402.7393 298.2777 64.9422 98.9458 556285.3362 11.5040 11.4525 PRESSURE: 4794200 -103.544 97.5644 -44.139 97.5653 -135.776 -30.6493 -44.1398 -30.6485 -167.791 GPRESSURE: 4794200 -82.5513 171.079 22.2362 56.8933 -119.131 -23.2161 -5.6104 -65.7026 -111.442 PRESSAVG: 4794200 3.57044 61.2229 -22.1133 61.2229 20.4688 -16.5463 -22.1133 -16.5463 0.783007 GPRESSAVG: 4794200 3.27868 61.8176 -21.5842 60.1725 21.6444 -14.4972 -21.9494 -16.9291 0.466798 TIMING: 4794200 CPU: 14229.8, 0.00294584/step Wall: 14229.8, 0.00294583/step, 0.168404 hours remaining, 208.238281 MB of memory in use. ENERGY: 4794200 738.5703 2128.0976 1918.1871 117.3024 -206337.6350 17692.9014 0.0000 0.0000 34145.1134 -149597.4627 298.1978 -183742.5762 -149499.2479 298.1671 -135.7035 -104.3747 557461.7219 8.2741 8.4633 PRESSURE: 4794400 56.5199 -0.56084 -188.324 -0.56062 -77.5928 -15.4972 -188.325 -15.496 -85.4971 GPRESSURE: 4794400 70.1309 -54.6926 -281.082 45.7092 -79.8577 -74.0301 -223.797 -35.9641 4.36853 PRESSAVG: 4794400 -43.6666 53.9469 -101.248 53.947 36.1075 33.6515 -101.248 33.6515 41.4494 GPRESSAVG: 4794400 -43.2816 53.4732 -99.3403 54.5458 36.7347 33.7003 -100.939 35.2181 40.212 TIMING: 4794400 CPU: 14230.4, 0.00294765/step Wall: 14230.4, 0.00294765/step, 0.168344 hours remaining, 208.238281 MB of memory in use. ENERGY: 4794400 741.6788 2068.5543 1926.5372 115.9751 -206160.8722 17691.9596 0.0000 0.0000 34050.7355 -149565.4316 297.3735 -183616.1671 -149463.5342 298.5148 -35.5234 -1.7861 557156.1058 11.2968 11.2217 PRESSURE: 4794600 355.513 76.34 -169.501 76.3405 267.055 27.9209 -169.501 27.9222 -67.677 GPRESSURE: 4794600 349.55 142.546 -154.365 15.8005 346.379 -46.3384 -134.334 22.7131 -38.2294 PRESSAVG: 4794600 5.28351 10.4797 -85.3824 10.4797 45.1932 59.4738 -85.3825 59.4738 -30.3739 GPRESSAVG: 4794600 4.96363 10.108 -87.0261 10.569 45.4132 60.6996 -86.3753 58.3837 -30.4996 TIMING: 4794600 CPU: 14231, 0.00296995/step Wall: 14231, 0.00296995/step, 0.169452 hours remaining, 208.238281 MB of memory in use. ENERGY: 4794600 744.5212 2081.1507 1957.6454 117.1376 -206436.7601 17925.0655 0.0000 0.0000 34074.0356 -149537.2042 297.5770 -183611.2398 -149439.1861 298.2603 184.9636 219.2333 554959.1502 6.7009 6.6258 PRESSURE: 4794800 -162.304 90.2568 -162.698 90.2566 12.2316 -149.534 -162.699 -149.535 -261.636 GPRESSURE: 4794800 -49.9097 89.9612 -178.994 132.53 28.1467 -268.003 -82.5468 -119.126 -279.011 PRESSAVG: 4794800 -0.223037 33.8636 -12.1187 33.8636 54.0536 -10.8399 -12.1187 -10.8399 -78.1714 GPRESSAVG: 4794800 0.615789 34.9006 -8.96244 34.1327 52.2459 -13.4812 -13.7448 -8.81046 -76.9942 TIMING: 4794800 CPU: 14231.6, 0.00295515/step Wall: 14231.6, 0.00295515/step, 0.168444 hours remaining, 208.238281 MB of memory in use. ENERGY: 4794800 779.3350 2115.6655 1932.6860 121.6615 -206124.9011 17703.8343 0.0000 0.0000 34099.1844 -149372.5344 297.7967 -183471.7188 -149278.0348 298.3932 -137.2360 -100.2579 557292.1970 -8.1136 -8.0442 PRESSURE: 4795000 -169.096 56.3703 47.5431 56.3696 -110.207 28.7432 47.5426 28.7424 106.539 GPRESSURE: 4795000 -114.081 129.467 51.5587 14.6297 -103.372 23.1071 146.644 71.8958 131.453 PRESSAVG: 4795000 1.03572 52.3227 5.23515 52.3228 34.3213 -9.7855 5.2352 -9.78554 0.399931 GPRESSAVG: 4795000 0.373528 52.7335 1.62711 51.3514 35.3371 -7.78219 6.16898 -12.704 -0.491665 TIMING: 4795000 CPU: 14232.1, 0.00295651/step Wall: 14232.1, 0.00295651/step, 0.168357 hours remaining, 208.238281 MB of memory in use. ENERGY: 4795000 747.8798 2158.8804 1931.7342 120.6861 -206464.2597 17917.4106 0.0000 0.0000 34239.7905 -149347.8782 299.0246 -183587.6687 -149252.4321 299.5081 -57.5880 -28.6667 557454.2302 11.9190 11.7397 PRESSURE: 4795200 415.303 83.4611 -88.985 83.4621 86.637 -120.532 -88.9853 -120.531 97.593 GPRESSURE: 4795200 418.108 171.741 -219.574 25.6815 90.1333 -146.758 -31.7355 -72.7475 185.508 PRESSAVG: 4795200 3.35296 -14.3 18.5722 -14.3 -33.0918 -9.33574 18.5723 -9.33587 -16.1122 GPRESSAVG: 4795200 2.27279 -15.5334 20.4082 -13.6232 -32.8152 -9.7137 19.0114 -7.81502 -15.7481 TIMING: 4795200 CPU: 14232.7, 0.00291231/step Wall: 14232.7, 0.00291231/step, 0.165678 hours remaining, 208.238281 MB of memory in use. ENERGY: 4795200 726.0792 2105.2577 1917.5277 104.6450 -206595.1769 18025.8714 0.0000 0.0000 34297.9849 -149417.8109 299.5328 -183715.7958 -149327.1444 299.3319 199.8444 231.2497 555489.4224 -15.2837 -15.4301 PRESSURE: 4795400 24.0641 -61.842 202.612 -61.8417 -242.422 -47.9006 202.612 -47.9002 -17.2051 GPRESSURE: 4795400 -0.715762 -77.5982 181.046 -47.2983 -185.303 -59.5086 157.304 -56.0876 46.835 PRESSAVG: 4795400 -18.537 23.7743 23.9818 23.7743 -7.72409 31.8752 23.9817 31.8752 39.0432 GPRESSAVG: 4795400 -18.4649 24.0724 23.6417 23.4515 -8.11475 30.4945 22.1803 32.5936 38.957 TIMING: 4795400 CPU: 14233.3, 0.00290376/step Wall: 14233.3, 0.00290376/step, 0.16503 hours remaining, 208.238281 MB of memory in use. ENERGY: 4795400 791.9057 2088.8282 1902.5355 107.0584 -205823.3698 17580.8968 0.0000 0.0000 33965.0782 -149387.0669 296.6255 -183352.1452 -149289.3186 299.3714 -78.5210 -46.3947 556577.6709 4.2607 4.1258 PRESSURE: 4795600 242.858 113.596 76.9388 113.595 175.818 -165.935 76.9379 -165.933 153.819 GPRESSURE: 4795600 334.895 141.051 18.5411 227.396 196.154 -248.84 89.3976 -45.2139 145.181 PRESSAVG: 4795600 -42.179 27.5924 55.4917 27.5924 40.3806 33.8385 55.4917 33.8386 9.61061 GPRESSAVG: 4795600 -40.8404 27.9055 53.9712 27.8156 39.9053 33.4088 56.9082 34.2006 8.39272 TIMING: 4795600 CPU: 14233.9, 0.00291196/step Wall: 14233.9, 0.00291196/step, 0.165335 hours remaining, 208.238281 MB of memory in use. ENERGY: 4795600 712.4685 2125.3004 1911.6109 109.9056 -206676.9978 18197.2259 0.0000 0.0000 34162.1023 -149458.3841 298.3461 -183620.4864 -149368.6575 298.6169 190.8315 225.4102 556022.9838 2.6041 2.4859 PRESSURE: 4795800 -192.388 -105.177 199.143 -105.178 -105.095 17.1861 199.143 17.1856 -29.2388 GPRESSURE: 4795800 -189.721 -118.92 251.419 -32.6799 -41.3129 -109.291 135.717 86.7884 8.41516 PRESSAVG: 4795800 -9.91466 16.8891 -0.137569 16.8891 0.944892 75.6388 -0.137621 75.6389 7.69549 GPRESSAVG: 4795800 -9.56904 18.3436 1.11479 15.6662 1.15721 76.888 -0.356908 74.5445 6.99047 TIMING: 4795800 CPU: 14234.5, 0.00291487/step Wall: 14234.5, 0.00291487/step, 0.165338 hours remaining, 208.238281 MB of memory in use. ENERGY: 4795800 756.7301 2074.6768 1909.7713 117.2399 -206588.7731 17826.5243 0.0000 0.0000 34286.4640 -149617.3668 299.4322 -183903.8308 -149524.5957 298.9785 -108.9075 -74.2064 556610.0125 -0.4248 -0.4738 PRESSURE: 4796000 143.418 -138.886 -2.17022 -138.886 94.0374 126.508 -2.16981 126.508 169.943 GPRESSURE: 4796000 151.186 -72.0785 -5.40236 -213.128 67.043 235.699 -78.1805 6.94282 273.457 PRESSAVG: 4796000 34.8 30.7635 -43.6648 30.7635 19.5835 42.9807 -43.6649 42.9808 -62.9087 GPRESSAVG: 4796000 34.2085 28.6079 -43.6556 31.9165 18.7246 43.0996 -44.1368 43.0845 -60.9105 TIMING: 4796000 CPU: 14235.1, 0.00293902/step Wall: 14235.1, 0.00293902/step, 0.166545 hours remaining, 208.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4796000 735.4298 2112.2797 1935.7698 122.4145 -206487.0807 17860.8740 0.0000 0.0000 34158.7076 -149561.6052 298.3165 -183720.3128 -149459.9487 297.9498 135.7994 163.8954 556042.3613 -2.8417 -2.6591 PRESSURE: 4796200 -5.5859 72.3285 51.452 72.3281 146.601 92.7796 51.4507 92.7786 -106.205 GPRESSURE: 4796200 41.1111 63.4307 -35.0892 44.3101 132.426 62.1861 122.094 103.856 -44.5791 PRESSAVG: 4796200 53.732 8.86126 47.2102 8.86129 -34.2438 53.0575 47.2102 53.0575 -18.0495 GPRESSAVG: 4796200 54.2534 10.2006 47.1287 8.13674 -31.9688 54.0373 46.967 52.481 -20.6033 TIMING: 4796200 CPU: 14235.7, 0.00295223/step Wall: 14235.7, 0.00295223/step, 0.167129 hours remaining, 208.238281 MB of memory in use. ENERGY: 4796200 720.3814 2078.4587 1916.0738 96.4493 -206068.1227 17740.5116 0.0000 0.0000 33895.5926 -149620.6553 296.0186 -183516.2479 -149525.4196 298.7082 11.6034 42.9858 557451.0547 0.4795 0.5604 LDB: ============= START OF LOAD BALANCING ============== 14239.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14239.2 LDB: =============== DONE WITH MIGRATION ================ 14239.2 LDB: ============= START OF LOAD BALANCING ============== 14239.5 LDB: Largest compute 4801 load 0.022285 is 18.8% of average load 0.118227 LDB: Average compute 0.001729 is 1.5% of average load 0.118227 LDB: TIME 14239.5 LOAD: AVG 0.118227 MAX 0.196149 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.254 MB LDB: TIME 14239.5 LOAD: AVG 0.118227 MAX 0.196149 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: TIME 14239.5 LOAD: AVG 0.118227 MAX 0.196149 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: ============== END OF LOAD BALANCING =============== 14239.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14239.5 PRESSURE: 4796400 2.46896 -184.253 -122.043 -184.255 -90.5245 27.8058 -122.043 27.8052 22.7751 GPRESSURE: 4796400 28.427 -208.658 -113.663 -167.409 -26.9392 -6.89309 -169.698 111.21 28.7157 PRESSAVG: 4796400 -13.144 -31.3641 -17.6965 -31.3642 67.5494 79.9307 -17.6966 79.9306 -21.8014 GPRESSAVG: 4796400 -14.2466 -32.4816 -17.1374 -29.6606 67.8374 79.0623 -17.0236 81.2782 -21.1216 TIMING: 4796400 CPU: 14236.2, 0.00298639/step Wall: 14236.2, 0.00298639/step, 0.168897 hours remaining, 209.320312 MB of memory in use. ENERGY: 4796400 721.4559 2062.9744 1915.3951 110.8578 -206096.9131 17678.3915 0.0000 0.0000 34064.1810 -149543.6573 297.4910 -183607.8383 -149447.6004 298.0560 -21.7601 10.0678 554994.5965 10.8680 10.8231 PRESSURE: 4796600 -114.539 -39.6689 80.4122 -39.6685 -260.148 63.2659 80.4116 63.2646 -67.7222 GPRESSURE: 4796600 -62.6977 -10.0469 66.1092 -46.0779 -197.543 90.9724 85.1264 33.8889 -79.9752 PRESSAVG: 4796600 -27.0009 -62.7462 23.3948 -62.7462 13.967 -19.1833 23.3948 -19.1833 2.33948 GPRESSAVG: 4796600 -25.4732 -63.1093 23.9179 -65.0942 12.7911 -18.75 24.3629 -19.9698 2.04038 TIMING: 4796600 CPU: 14236.8, 0.00293753/step Wall: 14236.8, 0.00293753/step, 0.16597 hours remaining, 209.519531 MB of memory in use. ENERGY: 4796600 726.5799 2069.1668 1926.2314 127.7292 -206096.9740 17620.6621 0.0000 0.0000 34104.8956 -149521.7089 297.8465 -183626.6045 -149426.1317 297.8828 -147.4699 -113.4055 557583.5478 -3.5648 -3.5472 PRESSURE: 4796800 -459.158 34.1446 -27.8629 34.1457 -79.8004 -152.913 -27.8641 -152.912 130.291 GPRESSURE: 4796800 -355.376 33.0139 -6.79643 4.76732 -80.9457 -167.257 -19.0996 -128.344 123.995 PRESSAVG: 4796800 18.1494 47.1488 30.0282 47.1488 -30.7053 -1.72727 30.0282 -1.72732 -6.68765 GPRESSAVG: 4796800 17.2916 47.5707 28.7014 46.9121 -30.3841 -1.34748 29.2056 -1.15049 -6.35733 TIMING: 4796800 CPU: 14237.4, 0.00294276/step Wall: 14237.4, 0.00294276/step, 0.166103 hours remaining, 209.519531 MB of memory in use. ENERGY: 4796800 748.3934 2037.3499 1931.7609 112.5074 -205934.3752 17422.4471 0.0000 0.0000 34177.3338 -149504.5827 298.4792 -183681.9165 -149394.6112 297.9354 -136.2224 -104.1090 555360.5746 -6.4145 -6.4833 PRESSURE: 4797000 -109.444 59.5895 -5.37599 59.5873 73.5305 110.949 -5.37615 110.948 57.2377 GPRESSURE: 4797000 -63.4107 150.103 -6.65589 -45.9661 69.5127 44.0136 113.019 154.976 110.885 PRESSAVG: 4797000 -85.3955 40.9682 1.58702 40.9682 13.8566 23.1166 1.58705 23.1165 42.5755 GPRESSAVG: 4797000 -85.5403 40.6198 0.772195 42.5344 12.782 23.127 2.86802 22.7753 44.1766 TIMING: 4797000 CPU: 14238, 0.00293075/step Wall: 14238, 0.00293075/step, 0.165262 hours remaining, 209.519531 MB of memory in use. ENERGY: 4797000 713.0284 2084.6397 1945.4311 109.7264 -205968.7304 17612.3396 0.0000 0.0000 34241.6573 -149261.9080 299.0409 -183503.5652 -149173.9457 298.4871 7.1082 38.9957 554794.7590 -9.6545 -9.5273 PRESSURE: 4797200 162.557 96.2574 47.0014 96.2564 -139.684 -92.0093 47.0009 -92.0101 -162.813 GPRESSURE: 4797200 186.9 61.3661 18.5826 75.3377 -97.4433 -158.603 89.8177 -79.3445 -135.248 PRESSAVG: 4797200 -7.92441 7.65653 -3.31104 7.65649 10.6864 -15.7178 -3.31115 -15.7179 18.1547 GPRESSAVG: 4797200 -7.77643 7.54306 -0.541414 6.77422 11.7043 -16.0643 -5.25362 -15.4092 17.0575 TIMING: 4797200 CPU: 14238.6, 0.00293311/step Wall: 14238.6, 0.00293311/step, 0.165232 hours remaining, 209.519531 MB of memory in use. ENERGY: 4797200 717.3851 2047.2805 1893.5138 100.0783 -205913.7075 17604.5981 0.0000 0.0000 34167.7239 -149383.1279 298.3952 -183550.8518 -149295.1285 298.2675 -46.6465 -15.2637 556630.2398 6.9722 6.9951 PRESSURE: 4797400 204.752 -131.549 -34.53 -131.55 49.3822 109.465 -34.5298 109.466 -156.942 GPRESSURE: 4797400 177.947 -116.477 -30.9343 -114.73 165.518 135.473 -48.8672 75.3543 -149.604 PRESSAVG: 4797400 36.1457 19.019 -29.5035 19.019 30.379 12.6761 -29.5034 12.6762 -40.7559 GPRESSAVG: 4797400 37.6716 19.2109 -31.7883 21.9096 30.2802 13.3416 -26.3093 12.1306 -41.9731 TIMING: 4797400 CPU: 14239.2, 0.00292903/step Wall: 14239.2, 0.00292903/step, 0.16484 hours remaining, 209.519531 MB of memory in use. ENERGY: 4797400 697.2675 2026.0707 1920.1491 123.5576 -206023.3352 17635.6908 0.0000 0.0000 34112.3470 -149508.2525 297.9116 -183620.5995 -149411.6740 298.2659 32.3972 64.6201 556747.9804 8.5896 8.6596 PRESSURE: 4797600 -100.361 18.8975 177.839 18.8969 -32.2087 155.794 177.838 155.794 -18.9419 GPRESSURE: 4797600 -68.4743 -16.529 201.397 57.3711 23.7538 174.146 128.625 130.708 -3.65555 PRESSAVG: 4797600 -44.6259 27.7264 7.72279 27.7264 37.6493 34.761 7.72283 34.7609 -4.53958 GPRESSAVG: 4797600 -45.3924 26.8181 8.40345 26.9934 37.4012 35.1651 4.61637 33.3924 -3.66548 TIMING: 4797600 CPU: 14239.8, 0.00292942/step Wall: 14239.8, 0.00292942/step, 0.164698 hours remaining, 209.519531 MB of memory in use. ENERGY: 4797600 760.1647 2076.6160 1919.7290 109.9264 -206334.0462 17844.0840 0.0000 0.0000 34178.3679 -149445.1582 298.4882 -183623.5261 -149352.8850 297.8426 -50.5039 -16.1253 558418.2792 -3.8387 -3.8855 PRESSURE: 4797800 -20.4987 43.6567 35.2556 43.6565 148.315 10.3005 35.2559 10.3002 98.2125 GPRESSURE: 4797800 26.507 62.1009 65.6196 31.3456 162.336 15.0855 -3.19675 -2.84425 128.76 PRESSAVG: 4797800 11.1376 -3.06973 61.8502 -3.06972 31.2882 29.1235 61.8501 29.1235 -23.5573 GPRESSAVG: 4797800 10.5786 -1.81269 63.1785 -0.181631 31.4242 27.4724 60.5323 31.4128 -22.8898 TIMING: 4797800 CPU: 14240.4, 0.00291442/step Wall: 14240.4, 0.00291442/step, 0.163693 hours remaining, 209.519531 MB of memory in use. ENERGY: 4797800 716.3090 2044.3969 1916.3313 107.5662 -206232.0500 17785.8242 0.0000 0.0000 34010.5108 -149651.1117 297.0223 -183661.6226 -149555.1896 297.5474 75.3431 105.8677 557291.5944 6.2895 6.3710 PRESSURE: 4798000 -196.301 -72.8381 -45.8937 -72.8379 289.216 17.9303 -45.8938 17.9292 230.906 GPRESSURE: 4798000 -167.916 -33.4038 -118.747 0.384579 317.068 7.86197 23.293 53.718 260.87 PRESSAVG: 4798000 -48.3455 11.1249 -1.35234 11.1249 -9.46387 98.9256 -1.35237 98.9257 -0.22407 GPRESSAVG: 4798000 -47.5251 12.5532 -2.16017 8.45455 -10.1084 100.038 0.764436 97.5611 0.437541 TIMING: 4798000 CPU: 14240.9, 0.00292976/step Wall: 14240.9, 0.00292976/step, 0.164392 hours remaining, 209.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4798000 740.2884 2089.0472 1913.9522 103.8570 -206680.3717 18059.8115 0.0000 0.0000 34071.8971 -149701.5183 297.5584 -183773.4154 -149605.4336 297.7070 107.9404 136.6741 557010.3415 -19.3445 -19.0653 PRESSURE: 4798200 281.196 21.6326 -163.363 21.634 -93.9844 -96.6099 -163.364 -96.6104 144.172 GPRESSURE: 4798200 292.426 -19.4002 -113.883 109.619 -50.7359 -77.1907 -171.525 -6.77671 184.289 PRESSAVG: 4798200 39.11 53.2258 37.2771 53.2258 -12.8125 -12.9916 37.2771 -12.9916 -11.6585 GPRESSAVG: 4798200 39.2787 53.0747 38.1972 52.6196 -11.0194 -15.3452 37.7203 -11.8961 -13.0087 TIMING: 4798200 CPU: 14241.5, 0.0029066/step Wall: 14241.5, 0.0029066/step, 0.162931 hours remaining, 209.519531 MB of memory in use. ENERGY: 4798200 763.0886 2093.1102 1917.2723 110.2907 -206981.2577 18223.8585 0.0000 0.0000 34298.2637 -149575.3737 299.5353 -183873.6374 -149476.0764 297.8800 110.4613 141.9933 557066.7843 4.8796 5.0835 PRESSURE: 4798400 167.654 19.3132 -99.9087 19.3123 98.0609 -4.26366 -99.9084 -4.26354 -66.1273 GPRESSURE: 4798400 202.125 58.8751 -92.9546 61.7536 126.995 -68.0112 -42.4396 13.2768 -32.9251 PRESSAVG: 4798400 32.5304 35.7932 81.9061 35.7932 -55.0262 31.344 81.906 31.3438 -12.6487 GPRESSAVG: 4798400 32.8578 34.6274 80.0797 34.7263 -55.4873 31.3617 81.9951 31.9019 -12.3121 TIMING: 4798400 CPU: 14242.1, 0.00291361/step Wall: 14242.1, 0.00291361/step, 0.163162 hours remaining, 209.519531 MB of memory in use. ENERGY: 4798400 730.3976 2109.6431 1917.8298 96.4950 -206608.1874 17925.7377 0.0000 0.0000 34232.8716 -149595.2124 298.9642 -183828.0841 -149500.8326 297.9190 66.5290 98.7314 555640.5644 -11.7148 -11.6472 PRESSURE: 4798600 -84.1167 -10.7871 -99.8431 -10.7867 98.0956 116.659 -99.8438 116.658 -48.8917 GPRESSURE: 4798600 -7.35866 -85.5499 -132.335 -91.0921 82.3986 166.554 -83.1873 136.751 -20.8176 PRESSAVG: 4798600 42.8035 11.0734 14.456 11.0734 -33.5841 15.6742 14.4559 15.6741 -13.9364 GPRESSAVG: 4798600 43.4265 12.3198 13.9662 11.7585 -34.3664 18.0882 14.9667 15.0238 -13.3979 TIMING: 4798600 CPU: 14242.7, 0.00292317/step Wall: 14242.7, 0.00292317/step, 0.163535 hours remaining, 209.519531 MB of memory in use. ENERGY: 4798600 756.6786 2078.8509 1910.6977 105.5395 -206636.8865 17906.4212 0.0000 0.0000 34249.8434 -149628.8553 299.1124 -183878.6987 -149533.3705 298.3330 -11.6376 18.0741 555364.8535 -1.5724 -1.4459 PRESSURE: 4798800 -241.778 -96.6705 -87.0724 -96.6709 27.4353 -53.0192 -87.0718 -53.0176 121.538 GPRESSURE: 4798800 -162.236 -60.6387 -124.83 -95.3334 43.0917 -28.1002 -24.8191 18.0852 108.77 PRESSAVG: 4798800 -44.1266 -19.2761 -14.0701 -19.2762 121.311 27.9671 -14.0701 27.967 17.0697 GPRESSAVG: 4798800 -44.871 -20.0421 -11.6223 -17.6108 122.399 29.4958 -14.81 26.2909 16.5762 TIMING: 4798800 CPU: 14243.3, 0.00292068/step Wall: 14243.3, 0.00292068/step, 0.163234 hours remaining, 209.519531 MB of memory in use. ENERGY: 4798800 720.0871 2022.3669 1927.2183 108.2127 -206342.4449 17801.5079 0.0000 0.0000 34237.3441 -149525.7079 299.0032 -183763.0520 -149424.0069 298.4516 -30.9348 -3.4579 556144.9798 31.4181 31.3682 PRESSURE: 4799000 -217.917 157.268 -84.2214 157.269 89.9414 -56.5774 -84.2222 -56.5783 16.765 GPRESSURE: 4799000 -121.256 94.3209 -136.832 204.036 91.1417 -92.448 -125.56 11.5499 21.7264 PRESSAVG: 4799000 -27.1731 0.937776 -1.76871 0.937847 -17.2594 -52.0392 -1.76875 -52.0393 47.7483 GPRESSAVG: 4799000 -26.3459 0.115892 -1.45583 -0.480681 -18.2756 -54.4733 -2.96329 -51.4464 48.2057 TIMING: 4799000 CPU: 14243.9, 0.00292175/step Wall: 14243.9, 0.00292175/step, 0.163131 hours remaining, 209.519531 MB of memory in use. ENERGY: 4799000 777.2673 2085.5675 1920.7337 115.7900 -206401.0999 17804.4529 0.0000 0.0000 34166.3823 -149530.9061 298.3835 -183697.2884 -149441.0108 298.3613 -37.0702 -2.7961 555926.2837 1.1053 1.1948 PRESSURE: 4799200 2.82678 -154.464 56.4011 -154.465 175.188 216.017 56.4 216.016 -408.288 GPRESSURE: 4799200 51.4327 -194.061 56.7344 -100.197 179.866 276.141 36.8479 176.624 -362.938 PRESSAVG: 4799200 -35.4558 8.64874 6.90757 8.64871 22.5561 2.53681 6.9076 2.53684 28.2292 GPRESSAVG: 4799200 -36.0087 10.1001 3.89402 7.8382 24.0125 3.13543 8.86611 2.79572 27.7039 TIMING: 4799200 CPU: 14244.4, 0.00292317/step Wall: 14244.4, 0.00292317/step, 0.163048 hours remaining, 209.519531 MB of memory in use. ENERGY: 4799200 739.5865 2048.5884 1965.3732 111.1362 -206044.3346 17547.2711 0.0000 0.0000 33965.5697 -149666.8095 296.6298 -183632.3792 -149572.6605 297.6215 -76.7576 -43.8797 556860.5437 5.1098 5.2359 PRESSURE: 4799400 -139.469 99.5452 80.7412 99.545 -107.365 -30.4198 80.7414 -30.4178 170.767 GPRESSURE: 4799400 -73.4424 142.034 38.8411 129.677 -76.1093 -52.9505 62.0319 34.1207 176.163 PRESSAVG: 4799400 36.353 4.42586 29.356 4.42581 17.705 91.76 29.3559 91.76 -41.0855 GPRESSAVG: 4799400 35.013 2.47366 31.0016 6.93521 17.9312 92.0007 28.1669 92.3959 -40.3998 TIMING: 4799400 CPU: 14245, 0.00294313/step Wall: 14245, 0.00294313/step, 0.163998 hours remaining, 209.519531 MB of memory in use. ENERGY: 4799400 733.4773 2056.8962 1939.4094 120.0673 -206587.6985 17930.8825 0.0000 0.0000 34260.3521 -149546.6137 299.2042 -183806.9658 -149451.8341 298.5648 -25.3558 8.8703 556825.3794 4.3242 4.1815 PRESSURE: 4799600 -134.267 7.85573 -137.026 7.85733 -265.863 49.8073 -137.026 49.8082 133.152 GPRESSURE: 4799600 -118.476 43.4577 -216.206 11.0445 -189.765 31.3623 -83.9726 41.6086 136.037 PRESSAVG: 4799600 -16.9718 -7.09996 33.5572 -7.09995 -10.1542 26.477 33.5573 26.4771 37.2871 GPRESSAVG: 4799600 -15.9854 -7.31368 33.7719 -9.01373 -10.5285 25.7025 33.6814 26.9849 36.7917 TIMING: 4799600 CPU: 14245.6, 0.00296392/step Wall: 14245.6, 0.00296392/step, 0.164992 hours remaining, 209.519531 MB of memory in use. ENERGY: 4799600 713.1754 2086.7443 1940.0947 116.8734 -206602.5903 17692.2679 0.0000 0.0000 34520.2218 -149533.2127 301.4737 -184053.4346 -149435.8933 298.4806 -88.9926 -57.4015 554332.4869 3.3871 3.4259 PRESSURE: 4799800 -154.688 -12.2996 -121.837 -12.2998 41.79 113.997 -121.837 113.997 213.004 GPRESSURE: 4799800 -140.107 -57.9952 -99.6451 -32.4417 72.3641 96.0985 -102.299 129.322 268.11 PRESSAVG: 4799800 25.3265 -23.8028 3.37291 -23.8028 10.1352 -9.35357 3.37284 -9.35367 52.2828 GPRESSAVG: 4799800 24.9256 -21.318 4.50698 -23.922 9.61269 -7.98437 2.95493 -11.2591 52.604 TIMING: 4799800 CPU: 14246.2, 0.00295434/step Wall: 14246.2, 0.00295434/step, 0.164294 hours remaining, 209.519531 MB of memory in use. ENERGY: 4799800 756.3529 2019.3350 1932.7948 106.9498 -206533.4239 17909.0597 0.0000 0.0000 34292.4725 -149516.4593 299.4847 -183808.9318 -149417.9528 299.0138 33.3689 66.7890 555334.1102 29.2482 29.0474 PRESSURE: 4800000 93.7218 -136.947 139.267 -136.946 -95.2822 29.345 139.267 29.3453 -212.404 GPRESSURE: 4800000 117.131 -186.734 69.5968 -1.84115 -67.9336 108.636 187.342 -115.861 -144.142 PRESSAVG: 4800000 -52.5975 15.4239 7.58514 15.4238 34.0672 -11.8092 7.58518 -11.8092 26.8694 GPRESSAVG: 4800000 -51.8501 15.5811 4.96496 15.1188 34.5978 -11.8706 8.79348 -11.6414 26.0661 TIMING: 4800000 CPU: 14246.8, 0.00294788/step Wall: 14246.8, 0.00294788/step, 0.163771 hours remaining, 209.519531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4800000 783.9317 2086.3876 1927.7390 98.5971 -206426.5002 17907.8389 0.0000 0.0000 34171.3001 -149450.7058 298.4265 -183622.0059 -149353.5645 299.0015 -71.3214 -31.6481 556845.2165 2.7797 2.9379 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4800000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 4800000 WRITING COORDINATES TO RESTART FILE AT STEP 4800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4800200 -232.713 -91.456 56.507 -91.4565 -33.6195 -4.8333 56.5071 -4.83474 -67.7714 GPRESSURE: 4800200 -217.173 -148.14 76.7522 -103.124 15.5672 -10.3213 -4.99182 -8.65493 -28.8486 PRESSAVG: 4800200 -56.3881 -12.2074 19.5743 -12.2075 14.0027 48.9871 19.5743 48.9871 24.1923 GPRESSAVG: 4800200 -57.094 -14.6501 19.0106 -11.0114 13.6931 48.768 19.2197 48.8915 25.2804 TIMING: 4800200 CPU: 14247.4, 0.00303244/step Wall: 14247.4, 0.00303244/step, 0.1683 hours remaining, 209.519531 MB of memory in use. ENERGY: 4800200 768.6680 2092.1655 1936.0073 108.8812 -206192.8258 17732.1459 0.0000 0.0000 34193.5102 -149361.4477 298.6204 -183554.9579 -149265.9841 298.9062 -111.3681 -76.8180 558314.2287 -6.0643 -6.0402 LDB: ============= START OF LOAD BALANCING ============== 14251 LDB: ============== END OF LOAD BALANCING =============== 14251 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14251 LDB: ============= START OF LOAD BALANCING ============== 14251.2 LDB: Largest compute 4801 load 0.021757 is 18.4% of average load 0.118254 LDB: Average compute 0.001724 is 1.5% of average load 0.118254 LDB: TIME 14251.3 LOAD: AVG 0.118254 MAX 0.198024 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.996 MB LDB: TIME 14251.3 LOAD: AVG 0.118254 MAX 0.198024 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.996 MB LDB: TIME 14251.3 LOAD: AVG 0.118254 MAX 0.198024 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.996 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14251.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14251.3 PRESSURE: 4800400 -96.7682 -88.3294 204.184 -88.3301 92.2224 -21.3102 204.185 -21.3108 -125.721 GPRESSURE: 4800400 -47.0685 -93.4603 266.965 -102.069 100.92 -34.0971 117.3 -65.8623 -85.7868 PRESSAVG: 4800400 17.8119 8.90103 7.68311 8.90098 -29.7682 16.7887 7.68322 16.7887 18.6319 GPRESSAVG: 4800400 18.6612 10.1386 8.61914 8.32539 -30.1434 17.9089 8.15884 17.189 17.5923 TIMING: 4800400 CPU: 14248, 0.00299919/step Wall: 14248, 0.00299919/step, 0.166289 hours remaining, 207.972656 MB of memory in use. ENERGY: 4800400 726.7585 2076.7810 1922.6896 118.3008 -206227.4138 17797.4625 0.0000 0.0000 34279.0424 -149306.3791 299.3674 -183585.4215 -149201.5271 298.9546 -43.4224 -10.6452 559106.4663 2.2252 2.0367 PRESSURE: 4800600 274.56 -48.1992 99.3802 -48.1999 -47.1422 -77.7833 99.379 -77.782 -64.9085 GPRESSURE: 4800600 330.534 -26.1883 65.3183 -93.9436 -26.351 -50.5562 95.55 39.3474 -49.3978 PRESSAVG: 4800600 29.3134 -3.04324 111.234 -3.0433 5.72422 -6.74887 111.234 -6.74889 -18.3385 GPRESSAVG: 4800600 29.2839 -1.73589 109.099 -3.97327 4.87542 -8.24975 111.95 -6.29464 -17.6513 TIMING: 4800600 CPU: 14248.6, 0.00294105/step Wall: 14248.6, 0.00294105/step, 0.162901 hours remaining, 207.972656 MB of memory in use. ENERGY: 4800600 777.5433 2079.5136 1956.2811 122.7988 -206234.5585 17833.0140 0.0000 0.0000 34149.2106 -149316.1971 298.2336 -183465.4077 -149218.3668 299.3697 54.1697 84.9284 556196.9292 5.5664 5.5026 PRESSURE: 4800800 141.697 -9.9467 80.9868 -9.94748 -43.9254 -63.9196 80.9882 -63.9191 87.9308 GPRESSURE: 4800800 136.474 -2.25286 46.1514 24.1819 12.8281 -23.5177 73.0841 -54.447 132.256 PRESSAVG: 4800800 7.197 8.27159 73.0757 8.27156 -1.73642 -10.8659 73.0757 -10.8658 -13.2271 GPRESSAVG: 4800800 5.57325 5.85488 75.3779 10.7577 -0.270774 -8.79119 71.8689 -12.6071 -12.4726 TIMING: 4800800 CPU: 14249.2, 0.00292601/step Wall: 14249.2, 0.00292601/step, 0.161906 hours remaining, 207.972656 MB of memory in use. ENERGY: 4800800 735.1901 2104.5542 1938.1054 103.5313 -206281.6100 18011.9548 0.0000 0.0000 34119.0783 -149269.1960 297.9704 -183388.2742 -149178.7559 299.4996 61.9007 93.8527 557326.8906 -2.5889 -2.3900 PRESSURE: 4801000 53.246 -3.28951 -259.766 -3.28779 68.0623 38.0848 -259.767 38.0865 10.7637 GPRESSURE: 4801000 75.7177 86.2496 -240.251 -31.5162 103.467 -49.9984 -263.427 129.208 62.8992 PRESSAVG: 4801000 19.4308 5.13898 -29.2566 5.13892 20.1572 -35.1218 -29.2565 -35.1216 -44.1417 GPRESSAVG: 4801000 20.1064 5.68086 -30.4707 5.26016 19.9316 -35.1985 -29.0618 -34.3456 -44.9517 TIMING: 4801000 CPU: 14249.8, 0.00295498/step Wall: 14249.8, 0.00295498/step, 0.163345 hours remaining, 207.972656 MB of memory in use. ENERGY: 4801000 748.6129 2099.0950 1910.6921 113.3098 -206132.7460 17793.6051 0.0000 0.0000 34233.4883 -149233.9428 298.9696 -183467.4311 -149137.6997 298.7956 44.0240 80.6945 556780.4301 -1.5179 -1.6379 PRESSURE: 4801200 89.1435 -125.7 -60.491 -125.701 112.174 -156.8 -60.4895 -156.801 -196.352 GPRESSURE: 4801200 91.0328 -132.777 -127.516 -136.824 137.5 -176.433 -139.572 -166.025 -126.584 PRESSAVG: 4801200 52.3342 10.5615 -11.5704 10.5615 -50.9278 -6.55299 -11.5704 -6.55299 6.50289 GPRESSAVG: 4801200 52.6569 10.8047 -11.1401 10.2092 -51.1488 -6.81415 -11.6482 -6.49145 7.33292 TIMING: 4801200 CPU: 14250.4, 0.00294431/step Wall: 14250.4, 0.00294431/step, 0.162591 hours remaining, 207.972656 MB of memory in use. ENERGY: 4801200 747.0657 2088.6839 1916.3770 96.1605 -206219.0015 17855.9348 0.0000 0.0000 34317.6386 -149197.1410 299.7045 -183514.7796 -149091.2600 299.4112 1.6549 33.9829 556265.3594 2.6364 2.9470 PRESSURE: 4801400 -215.851 -51.9009 141.328 -51.9011 175.487 55.3731 141.328 55.3756 -113.646 GPRESSURE: 4801400 -157.484 -101.462 147.305 13.0232 143.45 35.769 127.9 114.113 -25.3167 PRESSAVG: 4801400 48.3717 -1.72279 15.0024 -1.72281 -33.6299 58.7039 15.0023 58.7039 -17.0955 GPRESSAVG: 4801400 47.3249 -1.86984 15.618 -0.879827 -33.0376 58.3593 15.392 57.4972 -16.8284 TIMING: 4801400 CPU: 14251, 0.00294323/step Wall: 14251, 0.00294323/step, 0.162368 hours remaining, 207.972656 MB of memory in use. ENERGY: 4801400 718.8041 2035.3188 1906.5927 105.7537 -205925.4393 17617.9802 0.0000 0.0000 34156.5101 -149384.4796 298.2973 -183540.9897 -149295.4459 298.8074 -51.3368 -13.1167 556661.5885 -0.7846 -0.8470 PRESSURE: 4801600 -113.913 22.3603 -19.8903 22.3604 -11.2678 68.171 -19.8909 68.1723 160.396 GPRESSURE: 4801600 -95.1109 45.5729 -101.131 -83.6227 34.9489 -15.4408 -13.9191 35.7196 193.326 PRESSAVG: 4801600 53.9016 63.3273 4.74112 63.3273 -60.9899 6.55296 4.74116 6.55298 -4.00987 GPRESSAVG: 4801600 54.6531 62.8358 3.82654 62.2088 -61.8287 5.36958 4.9183 4.83355 -4.46103 TIMING: 4801600 CPU: 14251.5, 0.00294642/step Wall: 14251.5, 0.00294642/step, 0.162381 hours remaining, 207.972656 MB of memory in use. ENERGY: 4801600 758.8411 2076.5425 1907.5018 109.6996 -206372.1760 17753.0259 0.0000 0.0000 34459.0436 -149307.5215 300.9394 -183766.5651 -149211.2765 298.8294 11.7386 44.3879 556285.2857 -3.6994 -3.8789 PRESSURE: 4801800 -94.1953 61.0607 -194.652 61.0615 -78.6544 -78.2876 -194.652 -78.2861 -66.0017 GPRESSURE: 4801800 -81.8721 102.58 -61.9235 9.95448 -29.5575 -27.0181 -143.962 -73.2871 -30.4035 PRESSAVG: 4801800 -24.3891 -4.64126 -40.3251 -4.64123 -85.2218 39.7571 -40.3252 39.7571 40.5681 GPRESSAVG: 4801800 -24.7986 -3.15973 -38.3952 -4.67384 -83.8951 41.5173 -40.141 40.8691 39.2655 TIMING: 4801800 CPU: 14252.1, 0.00295526/step Wall: 14252.1, 0.00295526/step, 0.162704 hours remaining, 207.972656 MB of memory in use. ENERGY: 4801800 766.2324 2036.4615 1897.9358 118.8638 -205842.2285 17515.7602 0.0000 0.0000 34173.9319 -149333.0429 298.4494 -183506.9748 -149243.1028 299.3455 -79.6171 -47.2777 557493.2285 -23.0143 -23.1427 PRESSURE: 4802000 -262.031 -131.903 1.05947 -131.903 -403.434 35.2489 1.06024 35.2479 -91.4808 GPRESSURE: 4802000 -215.303 -73.5914 6.48647 -114.99 -368.184 75.7329 51.6904 34.2125 -92.7738 PRESSAVG: 4802000 38.6535 -17.4921 -21.7913 -17.492 -68.4121 -25.2936 -21.7911 -25.2937 36.0262 GPRESSAVG: 4802000 39.5631 -19.7157 -22.8403 -14.957 -69.9766 -24.1429 -22.6513 -21.9848 37.0503 TIMING: 4802000 CPU: 14252.7, 0.00293235/step Wall: 14252.7, 0.00293235/step, 0.161279 hours remaining, 207.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4802000 741.7970 2060.6216 1909.0095 105.4212 -205630.2538 17271.0208 0.0000 0.0000 34053.7159 -149488.6678 297.3996 -183542.3837 -149391.1682 298.7046 -252.3155 -225.4204 556766.3348 2.0892 2.2123 PRESSURE: 4802200 -210.309 -119.291 11.8773 -119.291 66.7571 -62.786 11.8775 -62.7848 85.6797 GPRESSURE: 4802200 -92.4726 -117.318 69.0804 -67.2585 56.5272 -145.252 -51.9127 -80.9264 86.8953 PRESSAVG: 4802200 56.6072 4.26102 -9.55185 4.26105 -28.6049 -18.374 -9.55183 -18.3739 -11.2021 GPRESSAVG: 4802200 56.2963 4.65917 -9.21264 2.8485 -28.1964 -19.6317 -7.86133 -19.7759 -11.4979 TIMING: 4802200 CPU: 14253.3, 0.00293912/step Wall: 14253.3, 0.00293912/step, 0.161488 hours remaining, 207.972656 MB of memory in use. ENERGY: 4802200 715.4408 2041.6088 1926.3151 115.7694 -206498.7455 17875.4792 0.0000 0.0000 34356.7603 -149467.3719 300.0461 -183824.1322 -149364.0424 298.9637 -19.2907 16.9833 558540.0193 5.6001 5.5340 PRESSURE: 4802400 292.361 -108.474 188.98 -108.473 32.6279 7.75052 188.979 7.748 -40.2256 GPRESSURE: 4802400 294.055 -114.027 182.179 -61.0656 48.414 24.3023 247.311 26.8373 43.4593 PRESSAVG: 4802400 30.1252 -38.7196 13.4222 -38.7195 -10.5792 -46.7273 13.4222 -46.7274 -44.4956 GPRESSAVG: 4802400 29.9992 -38.4369 14.1173 -39.8693 -10.1782 -48.1907 13.1127 -47.9674 -44.3478 TIMING: 4802400 CPU: 14253.9, 0.00295907/step Wall: 14253.9, 0.00295907/step, 0.16242 hours remaining, 207.972656 MB of memory in use. ENERGY: 4802400 726.8051 2041.1628 1933.8179 105.1594 -206443.7827 18007.5299 0.0000 0.0000 34081.7288 -149547.5788 297.6442 -183629.3076 -149456.3012 298.0328 94.9211 128.6427 557657.9359 -8.3165 -8.1756 PRESSURE: 4802600 -33.8689 49.2919 162.975 49.293 353.168 -67.7839 162.976 -67.7851 -3.23054 GPRESSURE: 4802600 -28.5055 37.2277 181.687 1.63217 380.377 -44.3482 91.5695 -65.0015 58.7851 PRESSAVG: 4802600 57.0496 11.655 15.4744 11.655 -37.9001 -25.1162 15.4745 -25.1161 0.713704 GPRESSAVG: 4802600 57.0601 12.6262 15.1058 14.0347 -36.7054 -23.8087 15.2516 -25.6059 0.146773 TIMING: 4802600 CPU: 14254.5, 0.00292549/step Wall: 14254.5, 0.00292549/step, 0.160415 hours remaining, 207.972656 MB of memory in use. ENERGY: 4802600 733.2567 2115.5023 1912.3138 121.3435 -206699.5039 18116.1058 0.0000 0.0000 34112.5438 -149588.4380 297.9133 -183700.9818 -149499.7927 298.5355 105.3563 136.8855 556965.5780 6.6211 6.8338 PRESSURE: 4802800 119.658 12.5491 -18.7117 12.5485 223.402 96.524 -18.7111 96.5231 2.71323 GPRESSURE: 4802800 217.64 108.719 41.8993 -30.0132 198.604 152.722 -55.0281 40.5417 19.0932 PRESSAVG: 4802800 39.3154 -14.005 19.0246 -14.0049 15.5344 45.2746 19.0247 45.2745 -35.8505 GPRESSAVG: 4802800 39.457 -15.1822 19.4067 -13.3187 13.931 43.4151 18.1268 46.9906 -34.8067 TIMING: 4802800 CPU: 14255.1, 0.00292158/step Wall: 14255.1, 0.00292158/step, 0.160037 hours remaining, 207.972656 MB of memory in use. ENERGY: 4802800 792.5651 2049.6905 1941.2556 109.0159 -206749.2546 18083.9856 0.0000 0.0000 34397.9571 -149374.7848 300.4059 -183772.7419 -149279.4364 298.9152 115.2578 145.1123 555220.0330 6.3331 6.1938 PRESSURE: 4803000 88.9969 107.14 80.8804 107.14 108.144 -14.7094 80.8816 -14.71 138.931 GPRESSURE: 4803000 32.5077 91.9905 109.591 104.561 126.048 11.7514 65.8267 -51.7084 256.081 PRESSAVG: 4803000 -50.395 34.0161 -5.46042 34.0161 55.1444 -14.2047 -5.46032 -14.2047 20.497 GPRESSAVG: 4803000 -50.215 34.174 -7.7086 31.5925 54.9367 -10.8616 -2.4916 -15.6489 20.8615 TIMING: 4803000 CPU: 14255.7, 0.00294076/step Wall: 14255.7, 0.00294076/step, 0.160925 hours remaining, 207.972656 MB of memory in use. ENERGY: 4803000 722.5471 2061.9187 1917.8481 119.7826 -206359.4917 17962.8530 0.0000 0.0000 34305.3023 -149269.2400 299.5967 -183574.5422 -149174.9489 298.7979 112.0243 138.2122 558328.8024 8.4154 8.5277 PRESSURE: 4803200 -256.545 80.0948 97.2162 80.0957 -3.93929 188.049 97.2158 188.049 -67.3884 GPRESSURE: 4803200 -225.814 75.3651 110.206 105.862 12.7267 149.382 21.6124 191.916 -22.5368 PRESSAVG: 4803200 -33.8105 -16.2487 -4.09056 -16.2488 31.093 26.0687 -4.09064 26.0687 28.5983 GPRESSAVG: 4803200 -34.2014 -15.1157 -1.98139 -17.443 31.9407 21.4249 -4.91742 28.7063 28.3147 TIMING: 4803200 CPU: 14256.2, 0.00292197/step Wall: 14256.2, 0.00292197/step, 0.159734 hours remaining, 207.972656 MB of memory in use. ENERGY: 4803200 730.4970 2079.1149 1927.3456 116.7273 -205995.5421 17742.6525 0.0000 0.0000 34104.0178 -149295.1871 297.8389 -183399.2048 -149198.2584 298.8655 -109.2908 -78.5413 559436.3318 8.6269 8.6846 PRESSURE: 4803400 -219.294 14.167 132.387 14.1678 111.96 153.828 132.385 153.828 -118.554 GPRESSURE: 4803400 -186.958 59.9557 165.696 -27.6677 150.167 62.2398 42.9583 151.289 -86.5833 PRESSAVG: 4803400 -48.9625 77.9286 23.2713 77.9287 41.3917 32.9644 23.2713 32.9644 -0.87223 GPRESSAVG: 4803400 -48.1296 79.3514 23.2814 80.1663 39.9509 34.5956 24.0309 30.9285 -0.5738 TIMING: 4803400 CPU: 14256.8, 0.00295989/step Wall: 14256.8, 0.00295989/step, 0.161643 hours remaining, 207.972656 MB of memory in use. ENERGY: 4803400 716.2194 2055.4391 1907.2801 110.7395 -206200.7268 17818.7404 0.0000 0.0000 34211.3539 -149380.9543 298.7763 -183592.3083 -149277.3945 297.9479 -75.2961 -41.1248 559462.3554 -2.8143 -2.9175 PRESSURE: 4803600 -24.2566 69.5702 -196.839 69.5706 -61.7278 -91.8849 -196.838 -91.8846 352.836 GPRESSURE: 4803600 11.9121 37.6045 -242.618 2.52862 -29.1558 9.56236 -194.521 -164.768 389.711 PRESSAVG: 4803600 4.61059 10.27 3.29041 10.2701 -29.6141 12.2347 3.29049 12.2348 -12.114 GPRESSAVG: 4803600 3.76737 9.23868 1.16271 10.2347 -27.9635 13.6656 2.80301 10.9283 -12.3212 TIMING: 4803600 CPU: 14257.4, 0.00296737/step Wall: 14257.4, 0.00296737/step, 0.161887 hours remaining, 207.972656 MB of memory in use. ENERGY: 4803600 725.7997 2073.8408 1931.1048 111.3512 -206347.6561 18047.4659 0.0000 0.0000 33980.5601 -149477.5337 296.7607 -183458.0938 -149387.4005 298.3899 88.9504 124.1556 558559.1676 -12.3725 -12.1724 PRESSURE: 4803800 97.5458 6.27381 -1.25305 6.27537 -103.126 105.411 -1.25318 105.411 -44.7712 GPRESSURE: 4803800 170.672 83.9643 8.23898 1.81995 -81.3571 123.404 18.659 100.155 -47.9306 PRESSAVG: 4803800 35.0478 35.9294 -2.54823 35.9294 0.190884 -30.313 -2.54826 -30.3128 3.26478 GPRESSAVG: 4803800 36.3932 34.2266 -1.62797 36.8719 -1.26979 -29.4404 -3.6443 -28.9968 4.05061 TIMING: 4803800 CPU: 14258, 0.00295438/step Wall: 14258, 0.00295438/step, 0.161014 hours remaining, 207.972656 MB of memory in use. ENERGY: 4803800 738.1694 2125.5585 1934.9976 117.9957 -206513.1547 17986.3857 0.0000 0.0000 34136.2961 -149473.7518 298.1208 -183610.0478 -149379.4296 297.7985 -16.7837 13.7949 557566.6026 12.8345 13.0580 PRESSURE: 4804000 102.077 -125.771 -11.7485 -125.771 -109.589 -86.4858 -11.7481 -86.4844 -53.9235 GPRESSURE: 4804000 120.526 -88.5668 -19.5946 -188.457 -95.839 -104.536 -14.2537 -101.946 4.19287 PRESSAVG: 4804000 32.8863 -13.7045 -26.3443 -13.7045 -32.2698 -24.6856 -26.3444 -24.6857 15.1232 GPRESSAVG: 4804000 31.535 -12.1841 -26.2828 -15.3572 -30.8034 -26.5574 -26.6508 -23.9837 14.4355 TIMING: 4804000 CPU: 14258.6, 0.00293392/step Wall: 14258.6, 0.00293392/step, 0.159736 hours remaining, 207.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4804000 756.1731 2064.2841 1930.9480 104.0620 -206403.1567 17894.2131 0.0000 0.0000 34315.4656 -149338.0108 299.6855 -183653.4764 -149234.3070 298.2854 -20.4786 9.6266 557456.2377 5.2466 5.0557 PRESSURE: 4804200 -67.3882 23.9193 70.6514 23.92 -85.1183 4.07031 70.6508 4.07084 193.218 GPRESSURE: 4804200 -19.074 3.65403 25.1252 20.1532 -12.4492 -67.4942 8.74497 -5.27672 173.193 PRESSAVG: 4804200 -0.959231 29.8404 -10.7834 29.8404 -51.5522 -16.7699 -10.7834 -16.77 -0.411828 GPRESSAVG: 4804200 0.673726 28.8877 -9.54043 31.2815 -52.1473 -15.9931 -12.0283 -15.7324 -1.01223 TIMING: 4804200 CPU: 14259.2, 0.00293836/step Wall: 14259.2, 0.00293836/step, 0.159814 hours remaining, 207.972656 MB of memory in use. ENERGY: 4804200 720.2773 2086.8000 1910.3579 109.9273 -206046.5396 17752.6663 0.0000 0.0000 34106.6585 -149359.8523 297.8619 -183466.5108 -149262.6020 298.3516 13.5704 47.2233 557371.8731 -17.6411 -17.4953 LDB: ============= START OF LOAD BALANCING ============== 14262.7 LDB: ============== END OF LOAD BALANCING =============== 14262.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14262.7 LDB: ============= START OF LOAD BALANCING ============== 14263 LDB: Largest compute 4801 load 0.021897 is 18.5% of average load 0.118318 LDB: Average compute 0.001714 is 1.4% of average load 0.118318 LDB: TIME 14263 LOAD: AVG 0.118318 MAX 0.196244 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.742 MB LDB: TIME 14263 LOAD: AVG 0.118318 MAX 0.196244 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.742 MB LDB: TIME 14263 LOAD: AVG 0.118318 MAX 0.196244 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.742 MB LDB: ============== END OF LOAD BALANCING =============== 14263 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14263 PRESSURE: 4804400 -92.0636 192.994 10.1166 192.993 -249.414 131.315 10.1171 131.314 126.773 GPRESSURE: 4804400 -66.5704 135.543 74.7073 181.317 -197.963 91.8884 67.7155 165.15 166.503 PRESSAVG: 4804400 24.1137 -25.1746 2.43358 -25.1745 -70.2716 10.086 2.43362 10.0859 38.5534 GPRESSAVG: 4804400 23.6587 -24.5724 1.99943 -26.3339 -70.0692 9.44963 3.9618 9.06235 38.8616 TIMING: 4804400 CPU: 14259.8, 0.00298933/step Wall: 14259.8, 0.00298933/step, 0.16242 hours remaining, 209.574219 MB of memory in use. ENERGY: 4804400 740.5413 2064.5204 1940.8879 109.5659 -206159.5926 17859.9099 0.0000 0.0000 34241.4524 -149202.7148 299.0391 -183444.1672 -149097.4337 299.6363 -71.5681 -32.6767 557835.9970 -2.5348 -2.5163 PRESSURE: 4804600 -185.411 -128.418 -42.518 -128.418 -183.067 152.391 -42.5183 152.39 -279.115 GPRESSURE: 4804600 -200.583 -96.9324 33.3856 -194.17 -118.323 160.88 -171.03 149.751 -225.345 PRESSAVG: 4804600 13.4922 -8.4746 -1.52636 -8.47464 -25.6108 24.9743 -1.52624 24.9742 1.19554 GPRESSAVG: 4804600 13.0527 -9.07059 0.101406 -8.43475 -25.5995 26.4886 -2.38543 23.8118 1.63716 TIMING: 4804600 CPU: 14260.4, 0.00293516/step Wall: 14260.4, 0.00293516/step, 0.159314 hours remaining, 209.773438 MB of memory in use. ENERGY: 4804600 747.0178 2137.3250 1892.3239 113.3553 -205787.3310 17426.3569 0.0000 0.0000 34247.4384 -149223.5137 299.0914 -183470.9521 -149130.5427 299.5313 -215.8642 -181.4173 558106.4618 -3.6410 -3.6365 PRESSURE: 4804800 23.5623 12.0643 115.168 12.0652 93.7195 -20.3131 115.168 -20.3126 -34.108 GPRESSURE: 4804800 52.3214 35.6415 159.805 7.0524 131.17 19.5145 85.017 -90.4781 -12.213 PRESSAVG: 4804800 20.197 -29.6555 -6.00053 -29.6556 1.41936 16.1988 -6.0005 16.1987 -36.71 GPRESSAVG: 4804800 20.202 -28.1424 -7.77344 -29.7335 2.35935 14.4005 -4.14432 16.3533 -38 TIMING: 4804800 CPU: 14261, 0.00298409/step Wall: 14261, 0.00298409/step, 0.161804 hours remaining, 209.773438 MB of memory in use. ENERGY: 4804800 699.9218 2079.0825 1913.7789 98.0817 -206253.7019 17933.6411 0.0000 0.0000 34351.7766 -149177.4193 300.0026 -183529.1959 -149086.5992 299.0010 27.7246 57.0926 558198.3085 -5.0312 -5.1462 PRESSURE: 4805000 195.506 -80.8867 -7.73158 -80.8874 -129.076 61.0874 -7.73204 61.0864 104.073 GPRESSURE: 4805000 200.126 -112.528 -41.6594 -86.7295 -64.9921 46.5847 -8.11138 148.209 134.308 PRESSAVG: 4805000 26.3885 -26.8089 82.6335 -26.8089 -60.0278 -8.12781 82.6335 -8.1278 3.08448 GPRESSAVG: 4805000 26.3377 -26.9658 82.5351 -26.2817 -59.4252 -8.32583 81.67 -6.33446 2.59846 TIMING: 4805000 CPU: 14261.6, 0.00294852/step Wall: 14261.6, 0.00294852/step, 0.159711 hours remaining, 209.773438 MB of memory in use. ENERGY: 4805000 741.7829 2035.3517 1924.4992 105.8233 -206294.5274 17918.2000 0.0000 0.0000 34164.2399 -149404.6304 298.3648 -183568.8703 -149308.1832 298.6516 56.8340 89.8141 557266.1901 -10.1850 -10.1630 PRESSURE: 4805200 -59.0846 101.116 41.9408 101.116 -75.7688 -112.754 41.9402 -112.753 -178.979 GPRESSURE: 4805200 -19.986 145.686 122.153 73.6606 -34.3135 -126.892 0.166485 -56.3411 -156.999 PRESSAVG: 4805200 26.753 -15.0585 -24.9558 -15.0586 42.1564 -9.31994 -24.9558 -9.32007 -85.4693 GPRESSAVG: 4805200 26.2973 -13.6129 -23.6327 -14.9658 40.8523 -9.15456 -25.3536 -10.1315 -84.1611 TIMING: 4805200 CPU: 14262.2, 0.00297149/step Wall: 14262.2, 0.00297149/step, 0.160791 hours remaining, 209.773438 MB of memory in use. ENERGY: 4805200 784.2900 2069.4401 1912.4297 112.6129 -206045.9720 17629.3282 0.0000 0.0000 34121.7711 -149416.1000 297.9939 -183537.8711 -149324.0695 299.1374 -104.6108 -70.4328 558548.1955 -5.5200 -5.6705 PRESSURE: 4805400 -128.606 -11.8498 -35.8929 -11.8494 188.45 -47.2717 -35.8928 -47.2701 -57.8898 GPRESSURE: 4805400 -85.4165 6.23593 -51.7639 -0.00902644 188.465 -101.326 -24.7564 -50.8093 -15.4088 PRESSAVG: 4805400 -3.65345 27.7759 15.0944 27.7758 43.7408 -45.3305 15.0944 -45.3305 2.02291 GPRESSAVG: 4805400 -3.43493 26.6118 13.4131 27.6787 44.8348 -45.0392 17.8049 -46.2348 0.643638 TIMING: 4805400 CPU: 14262.7, 0.00295619/step Wall: 14262.7, 0.00295619/step, 0.159798 hours remaining, 209.773438 MB of memory in use. ENERGY: 4805400 683.3340 2094.8694 1932.3519 116.8500 -206313.3905 17740.9711 0.0000 0.0000 34327.4254 -149417.5887 299.7899 -183745.0141 -149315.9053 298.4470 0.6514 29.2132 557175.9426 14.0368 14.0145 PRESSURE: 4805600 -138.299 -19.8219 -14.1492 -19.8217 -21.6716 22.2616 -14.1502 22.26 39.3369 GPRESSURE: 4805600 -123.517 -21.1029 -63.8358 -74.2568 23.9623 47.5149 -37.5684 -26.562 66.8235 PRESSAVG: 4805600 -40.3137 -7.24678 7.99412 -7.24696 18.169 -0.811108 7.99409 -0.811092 50.3817 GPRESSAVG: 4805600 -41.6142 -8.53651 9.2676 -5.9026 16.8497 0.166983 7.67889 -0.324356 52.697 TIMING: 4805600 CPU: 14263.3, 0.00292269/step Wall: 14263.3, 0.00292269/step, 0.157825 hours remaining, 209.773438 MB of memory in use. ENERGY: 4805600 737.3378 2122.7560 1901.9836 113.5698 -206485.3815 17714.5984 0.0000 0.0000 34592.5579 -149302.5780 302.1054 -183895.1359 -149213.2339 299.3117 -40.2112 -10.9104 556016.4723 9.4124 9.3108 PRESSURE: 4805800 -139.571 -106.23 -29.9512 -106.232 -218.619 -51.1972 -29.9509 -51.1959 78.4138 GPRESSURE: 4805800 -66.3371 -17.9243 -41.7256 -223.143 -196.531 -107.954 -73.0613 -5.20236 72.7372 PRESSAVG: 4805800 -58.3471 -65.4412 -34.3331 -65.4413 -24.0543 42.702 -34.3331 42.702 32.118 GPRESSAVG: 4805800 -57.0811 -62.688 -35.1095 -67.7058 -22.3219 41.7374 -34.6376 42.8643 29.3801 TIMING: 4805800 CPU: 14263.9, 0.00293369/step Wall: 14263.9, 0.00293369/step, 0.158256 hours remaining, 209.773438 MB of memory in use. ENERGY: 4805800 733.1402 2105.9119 1904.0258 114.7415 -206146.3467 17735.9456 0.0000 0.0000 34173.7237 -149378.8580 298.4476 -183552.5818 -149278.1932 299.2227 -93.2590 -63.3771 557924.0961 -16.7611 -16.6743 PRESSURE: 4806000 -226.152 51.9676 -179.198 51.9695 60.268 98.8465 -179.199 98.8446 -78.2864 GPRESSURE: 4806000 -189.318 -13.7897 -183.066 107.507 79.443 123.413 -155.823 118.218 -16.9503 PRESSAVG: 4806000 -2.75204 4.37884 7.13202 4.3789 -23.5601 17.3488 7.13197 17.3487 18.9839 GPRESSAVG: 4806000 -2.88161 2.53441 9.44769 5.35188 -25.2332 16.9577 6.71582 18.5682 20.9787 TIMING: 4806000 CPU: 14264.5, 0.00292909/step Wall: 14264.5, 0.00292909/step, 0.157845 hours remaining, 209.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4806000 722.2409 2121.2254 1913.3232 109.2369 -206275.6650 17830.0098 0.0000 0.0000 34253.3460 -149326.2829 299.1430 -183579.6289 -149224.2131 298.7926 -81.3900 -42.2750 559057.5873 -2.4428 -2.3787 PRESSURE: 4806200 21.9505 -93.7272 -77.7742 -93.7268 41.1993 33.645 -77.7738 33.644 94.1766 GPRESSURE: 4806200 30.054 -164.331 -102.644 -58.3174 89.7731 30.569 -60.9856 96.5042 139.499 PRESSAVG: 4806200 -49.3048 35.3254 -38.5794 35.3254 -11.4851 -23.1191 -38.5794 -23.1191 6.10429 GPRESSAVG: 4806200 -48.7063 36.2781 -38.2404 34.4838 -10.8496 -23.8225 -38.3943 -24.4257 4.56016 TIMING: 4806200 CPU: 14265.1, 0.00293882/step Wall: 14265.1, 0.00293882/step, 0.158207 hours remaining, 209.773438 MB of memory in use. ENERGY: 4806200 742.3824 2100.2112 1915.2173 120.6071 -206460.6870 17959.0501 0.0000 0.0000 34397.6825 -149225.5364 300.4035 -183623.2189 -149136.7909 299.3495 52.4421 86.4421 557507.6980 -18.2285 -18.3319 PRESSURE: 4806400 59.4305 229.096 -74.9222 229.095 66.0705 38.1761 -74.9224 38.1743 334.015 GPRESSURE: 4806400 113.983 244.952 -64.8956 244.338 39.4291 37.2468 -131.007 -41.3137 400.881 PRESSAVG: 4806400 12.0802 31.8477 0.210815 31.8477 -29.213 18.2283 0.2108 18.2283 61.0468 GPRESSAVG: 4806400 11.3116 30.7575 -1.07173 34.6269 -30.1144 17.423 -0.672821 20.3645 62.3128 TIMING: 4806400 CPU: 14265.7, 0.00295371/step Wall: 14265.7, 0.00295371/step, 0.158844 hours remaining, 209.773438 MB of memory in use. ENERGY: 4806400 757.9779 2130.6286 1931.8487 107.2650 -206538.1064 18116.0443 0.0000 0.0000 34155.6405 -149338.7014 298.2897 -183494.3420 -149243.1164 299.1914 153.1721 184.7645 557313.8933 14.6380 14.5033 PRESSURE: 4806600 -176.33 21.6422 -56.4546 21.643 -311.371 42.7165 -56.4541 42.7179 -284.066 GPRESSURE: 4806600 -161.432 -27.2271 13.5982 -27.2517 -265.999 -34.095 -107.032 114.47 -231.907 PRESSAVG: 4806600 -44.9341 35.0361 16.5833 35.0361 -45.1645 -30.3833 16.5834 -30.3833 101.512 GPRESSAVG: 4806600 -45.1736 34.7102 16.2064 33.6449 -43.8345 -28.739 18.6962 -30.6174 100.479 TIMING: 4806600 CPU: 14266.3, 0.00299608/step Wall: 14266.3, 0.00299608/step, 0.160956 hours remaining, 209.773438 MB of memory in use. ENERGY: 4806600 734.4274 2090.2128 1915.1317 96.6574 -205883.3655 17352.9187 0.0000 0.0000 34447.5497 -149246.4678 300.8390 -183694.0175 -149145.5882 298.8440 -257.2555 -219.7794 557222.8823 3.8043 3.8236 PRESSURE: 4806800 83.5207 -252.565 104.401 -252.566 317.413 212.634 104.4 212.634 103.444 GPRESSURE: 4806800 169.256 -154.583 150.573 -234.809 327.662 261.597 117.627 166.666 110.977 PRESSAVG: 4806800 -33.0406 -21.6721 -5.64261 -21.6721 35.8367 28.3723 -5.64261 28.3724 14.8083 GPRESSAVG: 4806800 -33.2717 -22.4552 -5.0498 -21.1073 34.9644 27.6724 -6.57786 27.497 15.8485 TIMING: 4806800 CPU: 14266.9, 0.00297095/step Wall: 14266.9, 0.00297095/step, 0.159441 hours remaining, 209.773438 MB of memory in use. ENERGY: 4806800 691.5984 2164.8185 1913.5720 108.8290 -206473.0376 17920.4892 0.0000 0.0000 34336.7011 -149337.0295 299.8710 -183673.7306 -149235.3475 299.4754 168.1260 202.6317 555798.5889 5.8681 5.8471 PRESSURE: 4807000 -326.436 -66.1354 353.969 -66.1353 -242.631 167.291 353.97 167.293 4.38105 GPRESSURE: 4807000 -290.213 -56.2058 459.43 -70.3826 -158.778 175.632 331.689 115.379 -9.84067 PRESSAVG: 4807000 -28.2845 14.0714 2.26495 14.0713 -34.3658 30.328 2.2649 30.3281 84.1047 GPRESSAVG: 4807000 -26.053 16.1838 2.1681 12.8156 -34.4971 31.702 0.218967 28.885 82.7162 TIMING: 4807000 CPU: 14267.5, 0.0029668/step Wall: 14267.5, 0.0029668/step, 0.159053 hours remaining, 209.773438 MB of memory in use. ENERGY: 4807000 744.2866 2156.6323 1946.1107 106.7216 -205909.5272 17436.1379 0.0000 0.0000 34231.5200 -149288.1181 298.9524 -183519.6381 -149188.8022 299.5535 -188.2289 -152.9438 557666.7253 7.1515 7.3887 PRESSURE: 4807200 -138.059 104.15 106.069 104.15 80.3538 158.421 106.069 158.42 -48.2879 GPRESSURE: 4807200 -140.156 102.783 29.0575 128.957 87.6182 163.607 121.991 155.922 33.1754 PRESSAVG: 4807200 -54.4591 -5.1505 39.7777 -5.15037 20.9023 51.7445 39.7776 51.7446 25.7977 GPRESSAVG: 4807200 -56.3593 -7.00421 39.6134 -4.98845 21.423 50.1746 41.5043 52.5444 26.4287 TIMING: 4807200 CPU: 14268.1, 0.00296096/step Wall: 14268.1, 0.00296096/step, 0.158576 hours remaining, 209.773438 MB of memory in use. ENERGY: 4807200 700.8496 2078.6726 1936.4764 107.4446 -206086.4123 17812.2690 0.0000 0.0000 34252.0593 -149198.6407 299.1318 -183450.7000 -149100.8872 298.7953 -35.3312 -6.4543 557128.2763 -2.5864 -2.8359 PRESSURE: 4807400 -41.1819 -11.9148 93.952 -11.9152 -200.147 -140.127 93.9509 -140.127 -275.178 GPRESSURE: 4807400 -7.46388 54.7425 101.179 -75.2049 -119.529 -106.319 20.0164 -194.191 -297.537 PRESSAVG: 4807400 -50.1534 -40.963 31.0795 -40.9629 58.7201 53.0565 31.0797 53.0565 -6.09635 GPRESSAVG: 4807400 -48.8717 -40.3953 29.8162 -40.8465 58.3093 54.4286 29.2291 51.462 -6.46555 TIMING: 4807400 CPU: 14268.6, 0.00293888/step Wall: 14268.6, 0.00293888/step, 0.15723 hours remaining, 209.773438 MB of memory in use. ENERGY: 4807400 773.1302 2102.9391 1915.4267 109.7467 -205963.4007 17461.9516 0.0000 0.0000 34565.5541 -149034.6523 301.8696 -183600.2065 -148938.0070 299.7176 -172.1689 -141.5099 557247.7188 0.8235 0.9907 PRESSURE: 4807600 192.869 228.142 71.5927 228.142 -0.833353 -59.8837 71.592 -59.8828 -100.947 GPRESSURE: 4807600 200.439 254.796 19.0173 162.331 35.7856 -88.3271 83.9779 33.3826 -47.7207 PRESSAVG: 4807600 -24.1635 58.7243 -4.92669 58.7243 25.9039 65.4306 -4.92672 65.4308 -17.8758 GPRESSAVG: 4807600 -25.794 59.5454 -5.20039 58.9464 26.2745 63.7109 -4.74818 67.105 -16.6032 TIMING: 4807600 CPU: 14269.2, 0.00290271/step Wall: 14269.2, 0.00290271/step, 0.155134 hours remaining, 209.773438 MB of memory in use. ENERGY: 4807600 736.2281 2077.5021 1912.1904 114.5994 -206379.3479 17836.0542 0.0000 0.0000 34571.2736 -149131.5001 301.9195 -183702.7737 -149037.7859 300.4339 30.3627 62.8347 555805.7037 -5.3785 -5.3743 PRESSURE: 4807800 -191.999 2.01085 111.094 2.01132 -60.0108 212.371 111.093 212.37 -177.55 GPRESSURE: 4807800 -151.84 39.1245 82.9972 29.3814 -44.4019 158.853 129.59 252.786 -116.028 PRESSAVG: 4807800 -70.953 46.1526 20.9546 46.1525 27.671 -16.405 20.9546 -16.4051 -14.4153 GPRESSAVG: 4807800 -70.6232 46.0898 20.3639 44.9153 27.4324 -16.3534 22.3801 -15.8917 -14.6978 TIMING: 4807800 CPU: 14269.8, 0.0029111/step Wall: 14269.8, 0.0029111/step, 0.15542 hours remaining, 209.773438 MB of memory in use. ENERGY: 4807800 751.9604 2095.2229 1899.3209 121.2774 -205616.5320 17423.6122 0.0000 0.0000 34185.9467 -149139.1915 298.5544 -183325.1381 -149047.4881 299.4040 -143.1866 -104.0900 556486.4886 -19.2324 -19.2962 PRESSURE: 4808000 -144.993 -5.95254 -26.4705 -5.95376 -84.7369 5.18869 -26.471 5.18864 -89.1717 GPRESSURE: 4808000 -100.389 -50.3321 -59.0222 48.4095 -45.9104 36.3913 -35.26 -17.1958 -56.1564 PRESSAVG: 4808000 -42.4803 26.5703 22.5399 26.5703 17.3875 45.8908 22.5398 45.8908 32.7477 GPRESSAVG: 4808000 -41.8841 26.2541 23.6352 27.9509 17.3882 47.9357 20.4368 43.7255 32.0898 TIMING: 4808000 CPU: 14270.4, 0.00290956/step Wall: 14270.4, 0.00290956/step, 0.155176 hours remaining, 209.773438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4808000 716.9045 2089.9695 1925.4751 100.3885 -205766.5981 17482.9265 0.0000 0.0000 34269.6466 -149181.2875 299.2853 -183450.9341 -149088.3756 299.5932 -106.3004 -67.4853 555751.3237 2.5516 2.5313 PRESSURE: 4808200 -205.063 -132.252 52.3844 -132.251 -258.363 -156.857 52.384 -156.858 -149.93 GPRESSURE: 4808200 -176.285 -166.225 1.70957 -124.316 -208.727 -142.136 79.0706 -236.247 -144.962 PRESSAVG: 4808200 -70.8491 -6.91617 -9.02743 -6.91613 65.1127 5.73969 -9.02746 5.7396 51.0713 GPRESSAVG: 4808200 -69.5883 -7.70324 -9.78393 -6.66078 63.9933 5.11051 -8.42758 7.81765 51.2106 TIMING: 4808200 CPU: 14271, 0.00294281/step Wall: 14271, 0.00294281/step, 0.156786 hours remaining, 210.031250 MB of memory in use. ENERGY: 4808200 750.0108 2079.8551 1911.7384 112.4066 -205737.2289 17408.4417 0.0000 0.0000 34136.3888 -149338.3875 298.1216 -183474.7762 -149252.4628 298.9783 -204.4521 -176.6581 557538.5216 15.1116 15.2052 LDB: ============= START OF LOAD BALANCING ============== 14274.5 LDB: ============== END OF LOAD BALANCING =============== 14274.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14274.5 LDB: ============= START OF LOAD BALANCING ============== 14274.8 LDB: Largest compute 4801 load 0.023066 is 19.5% of average load 0.118272 LDB: Average compute 0.001714 is 1.4% of average load 0.118272 LDB: TIME 14274.8 LOAD: AVG 0.118272 MAX 0.19856 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.551 MB LDB: TIME 14274.8 LOAD: AVG 0.118272 MAX 0.19856 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.551 MB LDB: TIME 14274.8 LOAD: AVG 0.118272 MAX 0.19856 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.551 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14274.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14274.8 PRESSURE: 4808400 152.049 86.242 128.225 86.2433 39.1141 -40.8672 128.224 -40.8678 22.3179 GPRESSURE: 4808400 129.546 13.3175 161.801 32.8564 78.7666 59.0001 145.785 -81.8546 98.3239 PRESSAVG: 4808400 -19.8661 -7.51045 22.6125 -7.51046 -22.0152 -1.60626 22.6125 -1.60633 66.2125 GPRESSAVG: 4808400 -21.6239 -6.21117 22.8925 -9.55798 -20.7203 -2.40654 23.343 -1.89061 67.081 TIMING: 4808400 CPU: 14271.6, 0.00299781/step Wall: 14271.6, 0.00299781/step, 0.15955 hours remaining, 209.832031 MB of memory in use. ENERGY: 4808400 752.5829 2104.0886 1947.3291 112.2340 -206096.2787 17828.0400 0.0000 0.0000 34130.6330 -149221.3710 298.0713 -183352.0040 -149136.6427 299.3661 71.1602 102.2123 557092.1155 8.1104 8.2456 PRESSURE: 4808600 -151.245 -55.0488 115.481 -55.0474 -45.2733 -102.805 115.482 -102.804 29.8014 GPRESSURE: 4808600 -99.3034 5.66111 88.1061 -25.5635 -10.7224 -35.1781 94.7886 -111.77 49.0607 PRESSAVG: 4808600 8.06438 -3.10688 30.098 -3.1069 -38.0321 10.9485 30.098 10.9485 25.7425 GPRESSAVG: 4808600 7.92085 -5.47545 30.6407 -0.267812 -38.1576 11.7345 29.9997 9.70892 25.647 TIMING: 4808600 CPU: 14272.2, 0.00293143/step Wall: 14272.2, 0.00293143/step, 0.155855 hours remaining, 209.832031 MB of memory in use. ENERGY: 4808600 692.6407 2119.2697 1925.8042 102.8613 -206142.4585 17718.8711 0.0000 0.0000 34314.6175 -149268.3940 299.6781 -183583.0115 -149171.5977 299.2994 -55.5722 -20.3217 557110.7286 -1.4084 -1.5299 PRESSURE: 4808800 74.8401 23.7081 -94.1177 23.7077 -386.344 -38.361 -94.1177 -38.3605 -14.6837 GPRESSURE: 4808800 95.858 103.583 -99.525 61.6467 -351.219 54.8967 14.0843 -67.6981 39.9849 PRESSAVG: 4808800 2.79417 16.2788 -11.6102 16.2788 21.4119 8.95327 -11.6102 8.9532 -4.93385 GPRESSAVG: 4808800 3.84843 16.3527 -13.1467 14.3233 21.472 7.43228 -11.0456 9.51853 -5.94322 TIMING: 4808800 CPU: 14272.8, 0.00295732/step Wall: 14272.8, 0.00295732/step, 0.157067 hours remaining, 209.832031 MB of memory in use. ENERGY: 4808800 758.8543 2078.5017 1928.6411 111.2673 -205775.1007 17598.3247 0.0000 0.0000 34194.2995 -149105.2122 298.6273 -183299.5116 -149011.3835 299.1273 -108.7293 -71.7919 558026.4844 6.4241 6.4591 PRESSURE: 4809000 -154.597 43.9016 157.184 43.9009 -37.6307 -232.113 157.183 -232.112 -36.4189 GPRESSURE: 4809000 -116.679 -37.6104 209.295 195.16 -14.3508 -193.542 80.9875 -294.912 10.0521 PRESSAVG: 4809000 -2.7789 70.1401 13.8464 70.1401 20.2793 -47.9363 13.8463 -47.9363 -33.7001 GPRESSAVG: 4809000 -3.48682 70.2171 15.506 72.0804 19.4634 -47.2003 14.1996 -48.1375 -32.8923 TIMING: 4809000 CPU: 14273.3, 0.00294267/step Wall: 14273.3, 0.00294267/step, 0.156125 hours remaining, 209.832031 MB of memory in use. ENERGY: 4809000 758.1848 2113.5670 1925.9279 111.7780 -205863.6385 17649.2859 0.0000 0.0000 34247.3739 -149057.5209 299.0908 -183304.8948 -148966.5171 299.3033 -76.2155 -40.3259 556987.6702 -5.3999 -5.6386 PRESSURE: 4809200 107.534 -20.4542 76.447 -20.4543 -88.4616 93.6586 76.4462 93.6596 -18.4265 GPRESSURE: 4809200 125.031 25.1663 65.3077 1.06509 -89.0306 130.403 104.312 126.778 65.6766 PRESSAVG: 4809200 -82.6216 -15.7079 31.0988 -15.7079 78.9039 8.83322 31.0988 8.83314 14.4483 GPRESSAVG: 4809200 -83.225 -12.1503 30.8995 -16.8144 79.413 8.22553 29.5076 9.9922 14.7051 TIMING: 4809200 CPU: 14273.9, 0.00293188/step Wall: 14273.9, 0.00293188/step, 0.15539 hours remaining, 209.832031 MB of memory in use. ENERGY: 4809200 725.2332 2089.8911 1932.0642 117.8626 -206148.8526 17778.4881 0.0000 0.0000 34494.6159 -149010.6975 301.2501 -183505.3134 -148918.3088 300.3929 0.2154 33.8925 557217.5633 3.5769 3.6310 PRESSURE: 4809400 -33.8531 -243.54 -10.3659 -243.54 -37.8989 95.7745 -10.3663 95.7746 105.972 GPRESSURE: 4809400 -16.022 -222.075 8.04167 -187.258 -20.5077 -37.9248 -52.9769 178.241 173.56 PRESSAVG: 4809400 0.912531 9.26234 -4.64206 9.26228 -8.35848 30.8095 -4.64213 30.8095 -21.2751 GPRESSAVG: 4809400 0.923705 6.7362 -6.63382 9.12511 -7.96346 30.4023 -3.38821 30.6573 -21.5735 TIMING: 4809400 CPU: 14274.5, 0.00294274/step Wall: 14274.5, 0.00294274/step, 0.155802 hours remaining, 209.832031 MB of memory in use. ENERGY: 4809400 723.0678 2083.8130 1912.0932 107.1559 -205938.6764 17888.6110 0.0000 0.0000 34148.8344 -149075.1011 298.2303 -183223.9355 -148983.6113 299.8423 11.4067 45.6768 558830.0870 -9.5737 -9.5378 PRESSURE: 4809600 -71.9034 53.1998 65.6864 53.2012 80.8111 -86.0464 65.6861 -86.0475 0.583791 GPRESSURE: 4809600 -75.2957 121.288 122.817 -17.5155 119.98 7.73966 43.5089 -28.8189 69.8791 PRESSAVG: 4809600 -63.7443 23.3978 -0.193437 23.3978 37.063 27.8175 -0.193458 27.8176 22.5175 GPRESSAVG: 4809600 -62.3994 25.2054 2.89517 21.3232 36.7578 27.8099 -1.6092 28.4751 21.3921 TIMING: 4809600 CPU: 14275.1, 0.0029454/step Wall: 14275.1, 0.0029454/step, 0.155779 hours remaining, 209.832031 MB of memory in use. ENERGY: 4809600 716.7383 2118.0701 1884.9771 117.8176 -206279.8977 17920.2478 0.0000 0.0000 34395.8560 -149126.1908 300.3876 -183522.0468 -149027.4250 299.4233 3.1638 38.1877 559017.5420 -1.3879 -1.4165 PRESSURE: 4809800 -35.3627 -124.661 -23.6088 -124.662 -25.9625 76.1588 -23.6086 76.1592 -33.9864 GPRESSURE: 4809800 -2.80266 -136.697 -81.4476 -151.448 7.80349 72.9279 53.2071 18.2208 -18.2764 PRESSAVG: 4809800 -15.2569 -29.8354 -31.4135 -29.8354 -45.7368 16.0227 -31.4135 16.0226 60.3081 GPRESSAVG: 4809800 -15.868 -30.4562 -33.1521 -29.3116 -46.4879 15.6048 -29.5018 15.8578 61.723 TIMING: 4809800 CPU: 14275.7, 0.00295033/step Wall: 14275.7, 0.00295033/step, 0.155876 hours remaining, 209.832031 MB of memory in use. ENERGY: 4809800 736.8886 2064.0019 1895.7349 106.5292 -206364.2943 17884.9291 0.0000 0.0000 34345.4342 -149330.7764 299.9472 -183676.2105 -149234.3856 299.0892 -31.7705 -4.4252 557835.6402 -0.2285 -0.2110 PRESSURE: 4810000 -134.538 48.7288 -34.437 48.7296 -153.797 -47.2494 -34.4366 -47.2494 133.297 GPRESSURE: 4810000 -87.0445 86.6087 -6.41245 -22.815 -84.9 -39.7149 -76.9011 -0.000708417 124.495 PRESSAVG: 4810000 26.3157 -50.8649 -32.0467 -50.865 -50.5503 -2.18217 -32.0467 -2.18221 -7.60459 GPRESSAVG: 4810000 26.5491 -49.9509 -31.7781 -49.543 -49.0749 -1.22079 -34.355 -2.02507 -9.42566 TIMING: 4810000 CPU: 14276.3, 0.00294355/step Wall: 14276.3, 0.00294355/step, 0.155354 hours remaining, 209.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4810000 730.1459 2136.4007 1901.4537 95.3131 -206095.6536 17651.7411 0.0000 0.0000 34268.4398 -149312.1592 299.2748 -183580.5989 -149205.3117 298.9210 -51.6791 -15.8164 557577.0638 -10.6131 -10.6505 PRESSURE: 4810200 -250.224 28.2969 14.6474 28.2958 85.8998 -38.2622 14.6471 -38.2609 -124.455 GPRESSURE: 4810200 -262.288 -32.4056 -9.62342 20.8203 78.1188 -43.6928 63.8433 -62.3591 -11.7468 PRESSAVG: 4810200 -34.7497 -25.8075 -50.4905 -25.8074 5.64348 4.12678 -50.4906 4.12681 88.9881 GPRESSAVG: 4810200 -36.0432 -28.1509 -49.6936 -26.1163 4.67746 4.98566 -47.9386 3.25331 91.2736 TIMING: 4810200 CPU: 14276.9, 0.00295036/step Wall: 14276.9, 0.00295037/step, 0.15555 hours remaining, 209.832031 MB of memory in use. ENERGY: 4810200 739.2046 2043.6062 1913.4147 107.6894 -206313.2101 17736.1989 0.0000 0.0000 34192.9040 -149580.1924 298.6151 -183773.0964 -149484.3444 298.9456 -96.2596 -65.3052 556782.2516 19.9606 19.9693 PRESSURE: 4810400 6.07107 -37.2471 -56.4102 -37.2476 -130.311 10.2566 -56.4099 10.2547 -156.764 GPRESSURE: 4810400 71.1138 48.4494 -69.7519 -81.825 -149.356 16.9117 -54.1823 -26.6514 -104.122 PRESSAVG: 4810400 -33.2705 23.9058 15.7652 23.9057 -2.1524 -32.9723 15.7652 -32.9723 50.1087 GPRESSAVG: 4810400 -31.7462 24.7507 15.1342 23.9877 -2.73449 -32.9015 12.6539 -33.3967 48.7684 TIMING: 4810400 CPU: 14277.5, 0.00295693/step Wall: 14277.5, 0.00295693/step, 0.155731 hours remaining, 209.832031 MB of memory in use. ENERGY: 4810400 759.8437 2148.2806 1895.5588 119.5035 -206028.9664 17624.7189 0.0000 0.0000 33886.5158 -149594.5452 295.9394 -183481.0610 -149503.3524 298.0879 -93.6682 -60.7880 555568.7221 4.8952 4.7626 PRESSURE: 4810600 3.86291 153.028 10.0539 153.027 72.9483 -42.31 10.0555 -42.3101 -128.668 GPRESSURE: 4810600 27.9905 98.1407 -1.79309 185.039 132.4 35.0601 45.8578 -35.6045 -116.443 PRESSAVG: 4810600 2.70281 29.2762 -36.118 29.2761 -25.3602 -13.3259 -36.1179 -13.3259 2.35808 GPRESSAVG: 4810600 2.40433 31.1304 -36.6661 29.2536 -24.9394 -14.0807 -33.4992 -13.1311 2.27985 TIMING: 4810600 CPU: 14278.1, 0.00293892/step Wall: 14278.1, 0.00293892/step, 0.15462 hours remaining, 209.832031 MB of memory in use. ENERGY: 4810600 749.8089 2071.0441 1911.6433 104.2737 -206477.5042 17948.9111 0.0000 0.0000 34289.5957 -149402.2273 299.4596 -183691.8230 -149310.5421 298.6185 -17.2857 14.6491 556905.3991 -6.7664 -6.7517 PRESSURE: 4810800 48.2593 24.4231 -103.91 24.4244 139.647 -19.1685 -103.91 -19.1678 -89.8043 GPRESSURE: 4810800 100.467 -25.2676 -189.452 53.4886 152.392 22.9063 -49.6196 -14.3887 -52.7723 PRESSAVG: 4810800 4.8699 54.6384 -49.6788 54.6383 7.83477 -13.8304 -49.6788 -13.8305 49.9464 GPRESSAVG: 4810800 4.75651 53.5748 -50.6328 55.7953 7.5605 -13.4148 -49.4118 -13.942 49.8646 TIMING: 4810800 CPU: 14278.6, 0.00294289/step Wall: 14278.6, 0.00294289/step, 0.154665 hours remaining, 209.832031 MB of memory in use. ENERGY: 4810800 729.2087 2042.1905 1937.8914 107.7034 -206112.7939 17777.4540 0.0000 0.0000 34098.2527 -149420.0934 297.7885 -183518.3461 -149326.0680 298.6366 32.7007 66.6958 557316.8828 20.8837 20.7272 PRESSURE: 4811000 -7.43107 -79.9763 -6.31532 -79.9757 207.421 37.6954 -6.31501 37.6967 -8.57973 GPRESSURE: 4811000 42.4982 -35.8677 -85.6005 -107.423 215.321 73.0662 81.1777 1.64978 31.9833 PRESSAVG: 4811000 -32.0156 -25.1216 -0.622463 -25.1216 21.9389 44.384 -0.622403 44.3841 -4.65932 GPRESSAVG: 4811000 -32.8238 -26.6035 -1.25475 -26.5182 21.2637 44.6141 -0.123267 44.4356 -3.68825 TIMING: 4811000 CPU: 14279.2, 0.00292989/step Wall: 14279.2, 0.00292989/step, 0.153819 hours remaining, 209.832031 MB of memory in use. ENERGY: 4811000 743.3788 2148.9660 1919.5609 114.1153 -206453.8947 17966.9997 0.0000 0.0000 34295.0211 -149265.8530 299.5069 -183560.8740 -149171.4793 298.6465 63.8034 96.6009 557868.5561 -4.9120 -5.0828 PRESSURE: 4811200 -406.733 -133.644 31.5706 -133.644 -277.681 128.439 31.5722 128.439 -175.327 GPRESSURE: 4811200 -424.521 -154.526 105.749 -185.697 -200.625 76.4005 -1.41142 158.895 -146.173 PRESSAVG: 4811200 -98.8068 -44.8465 -57.394 -44.8466 28.3803 76.2623 -57.3939 76.2623 63.0234 GPRESSAVG: 4811200 -98.6932 -45.5064 -55.2976 -44.7592 27.3642 74.2281 -59.9549 77.4225 63.2691 TIMING: 4811200 CPU: 14279.8, 0.00293022/step Wall: 14279.8, 0.00293022/step, 0.153674 hours remaining, 209.832031 MB of memory in use. ENERGY: 4811200 757.4317 2140.5941 1947.3339 127.6085 -206027.1437 17481.9518 0.0000 0.0000 34050.1762 -149522.0475 297.3687 -183572.2236 -149428.1072 298.4618 -286.5805 -257.1059 558290.6887 -2.4677 -2.6866 PRESSURE: 4811400 155.054 -124.082 112.965 -124.083 95.466 -15.4369 112.965 -15.4374 -60.9387 GPRESSURE: 4811400 173.594 -123.204 113.215 -162.968 109.759 89.4197 74.0367 -19.8076 -2.29104 PRESSAVG: 4811400 -3.69342 -9.16473 64.9532 -9.16468 -16.1075 43.0075 64.9532 43.0076 9.27429 GPRESSAVG: 4811400 -3.06108 -8.41469 62.8569 -7.1696 -14.6003 45.0127 67.5348 44.4044 7.13613 TIMING: 4811400 CPU: 14280.4, 0.00292943/step Wall: 14280.4, 0.00292943/step, 0.15347 hours remaining, 209.832031 MB of memory in use. ENERGY: 4811400 744.6936 2126.6525 1931.8447 109.3744 -206345.0157 17914.7066 0.0000 0.0000 33988.0485 -149529.6955 296.8261 -183517.7440 -149432.4959 298.0248 63.1936 93.6875 556681.5339 -3.5089 -3.5084 PRESSURE: 4811600 39.1519 68.7105 -206.165 68.7107 -63.4169 -0.264151 -206.166 -0.26396 51.4175 GPRESSURE: 4811600 54.3624 19.5629 -207.409 53.7161 -67.4014 -27.6638 -139.575 -45.1677 123.871 PRESSAVG: 4811600 48.6362 -55.0129 -7.8134 -55.0129 -28.096 16.1499 -7.81341 16.1501 -10.5345 GPRESSAVG: 4811600 48.454 -56.1541 -5.77649 -55.4301 -28.9106 15.7307 -10.9214 13.4005 -10.0529 TIMING: 4811600 CPU: 14281, 0.00293059/step Wall: 14281, 0.00293059/step, 0.153368 hours remaining, 209.832031 MB of memory in use. ENERGY: 4811600 755.3354 2080.8189 1940.0025 119.9017 -206086.8330 17761.9107 0.0000 0.0000 33914.1097 -149514.7541 296.1804 -183428.8639 -149418.3362 297.7105 9.0508 36.9442 556314.1768 3.3352 3.1635 PRESSURE: 4811800 24.8909 -119.486 -26.4103 -119.486 60.9511 164.262 -26.4121 164.262 190.066 GPRESSURE: 4811800 50.046 -137.136 78.8029 -149.703 84.7828 133.612 -22.9942 64.6485 238.438 PRESSAVG: 4811800 -19.5537 -45.6812 15.2765 -45.6812 35.7322 18.5982 15.2764 18.5981 70.3758 GPRESSAVG: 4811800 -19.9769 -44.573 15.6866 -45.147 36.5155 18.6184 17.1294 18.6259 69.7221 TIMING: 4811800 CPU: 14281.6, 0.00294956/step Wall: 14281.6, 0.00294956/step, 0.154196 hours remaining, 209.832031 MB of memory in use. ENERGY: 4811800 729.6051 2093.8942 1927.1698 105.5491 -206866.0004 18226.2264 0.0000 0.0000 34280.4909 -149503.0649 299.3801 -183783.5559 -149409.9427 298.3598 91.9694 124.4223 557132.4324 28.8514 28.7536 PRESSURE: 4812000 -346.679 88.44 53.1486 88.4405 -268.287 -0.482304 53.1479 -0.481586 -87.9871 GPRESSURE: 4812000 -295.036 -15.5492 -12.2722 146.891 -255.924 -23.0335 58.8412 24.705 -62.7693 PRESSAVG: 4812000 34.5017 -29.3772 -23.7868 -29.3772 12.1149 -1.7084 -23.7868 -1.70834 -15.3283 GPRESSAVG: 4812000 35.1568 -31.4301 -26.4961 -27.7113 10.7832 -1.45146 -22.9308 -0.805153 -15.502 TIMING: 4812000 CPU: 14282.2, 0.00297337/step Wall: 14282.2, 0.00297337/step, 0.155276 hours remaining, 209.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4812000 758.5042 2131.7155 1943.4495 110.7326 -205901.2496 17504.8436 0.0000 0.0000 34008.8001 -149443.2041 297.0073 -183452.0043 -149351.3982 298.2766 -234.3177 -204.5767 559128.1824 10.4294 10.1460 PRESSURE: 4812200 -297.267 -11.0802 12.4431 -11.0798 130.372 -59.5904 12.4442 -59.591 -266.364 GPRESSURE: 4812200 -275.237 -61.0565 64.7839 -66.9912 145.952 -99.9969 61.0726 -48.1078 -195.866 PRESSAVG: 4812200 122.148 48.8177 31.5598 48.8178 -43.3287 5.17904 31.5598 5.17906 -62.0305 GPRESSAVG: 4812200 121.185 48.77 30.8153 47.9512 -43.2023 5.95841 29.6398 5.49994 -60.8267 TIMING: 4812200 CPU: 14282.8, 0.00296881/step Wall: 14282.8, 0.00296881/step, 0.154873 hours remaining, 209.832031 MB of memory in use. ENERGY: 4812200 742.6921 2134.7301 1899.5123 118.5041 -206542.4564 17844.6261 0.0000 0.0000 34153.2098 -149649.1819 298.2685 -183802.3916 -149547.5222 298.4053 -144.4197 -108.3838 557708.6764 5.5963 5.7188 LDB: ============= START OF LOAD BALANCING ============== 14286.3 LDB: ============== END OF LOAD BALANCING =============== 14286.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14286.3 LDB: ============= START OF LOAD BALANCING ============== 14286.6 LDB: Largest compute 4801 load 0.022742 is 19.2% of average load 0.118213 LDB: Average compute 0.001720 is 1.5% of average load 0.118213 LDB: TIME 14286.6 LOAD: AVG 0.118213 MAX 0.200599 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.121 MB LDB: TIME 14286.6 LOAD: AVG 0.118213 MAX 0.200599 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.121 MB LDB: TIME 14286.6 LOAD: AVG 0.118213 MAX 0.200599 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.121 MB LDB: ============== END OF LOAD BALANCING =============== 14286.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14286.6 PRESSURE: 4812400 59.1919 -9.7391 -164.82 -9.73953 253.587 -214.845 -164.821 -214.845 -4.91054 GPRESSURE: 4812400 119.155 -63.1683 -59.4298 -32.7381 283.299 -272.863 -188.249 -240.626 10.4098 PRESSAVG: 4812400 43.057 5.69421 -41.7606 5.69422 -18.9847 37.7217 -41.7606 37.7217 1.02176 GPRESSAVG: 4812400 43.0134 6.26437 -40.7543 6.17417 -18.3082 39.2984 -40.8086 36.8102 0.219452 TIMING: 4812400 CPU: 14283.4, 0.00301679/step Wall: 14283.4, 0.00301679/step, 0.157208 hours remaining, 208.039062 MB of memory in use. ENERGY: 4812400 756.9048 2131.9474 1933.5124 108.5502 -206676.6870 18096.8743 0.0000 0.0000 34050.7739 -149598.1240 297.3739 -183648.8979 -149502.9966 297.3313 102.6228 137.6210 556603.5349 8.3647 8.3082 PRESSURE: 4812600 100.719 -164.686 39.38 -164.686 22.7773 -51.9207 39.3804 -51.921 -19.9436 GPRESSURE: 4812600 129.667 -179.898 78.832 -9.54856 60.5486 -98.3108 25.273 55.3855 8.03822 PRESSAVG: 4812600 88.6752 -56.3237 -33.6699 -56.3236 -35.7958 14.7221 -33.6698 14.7221 -37.8521 GPRESSAVG: 4812600 88.6229 -54.3978 -32.7657 -57.7689 -34.6369 14.8882 -33.8636 14.2678 -38.5842 TIMING: 4812600 CPU: 14284, 0.00294845/step Wall: 14284, 0.00294845/step, 0.153483 hours remaining, 208.039062 MB of memory in use. ENERGY: 4812600 731.4075 2090.5954 1939.8758 108.1936 -206525.1562 17808.2081 0.0000 0.0000 34334.1084 -149512.7672 299.8483 -183846.8757 -149414.5119 298.4097 34.5175 66.0847 555674.7453 5.0091 5.1339 PRESSURE: 4812800 -229.394 -16.7862 -121.308 -16.7854 -97.5753 -73.4632 -121.307 -73.4647 -14.8623 GPRESSURE: 4812800 -179.805 -15.4873 -137.419 13.531 -112.632 -134.745 -164.033 -86.5229 49.4933 PRESSAVG: 4812800 -36.9221 -8.29694 -49.2439 -8.29693 4.17553 17.8932 -49.2439 17.8932 53.4333 GPRESSAVG: 4812800 -36.2757 -10.411 -46.6174 -6.06098 2.73182 16.212 -51.2746 17.6869 54.3991 TIMING: 4812800 CPU: 14284.6, 0.00294432/step Wall: 14284.6, 0.00294432/step, 0.153105 hours remaining, 208.039062 MB of memory in use. ENERGY: 4812800 721.2810 2107.2886 1901.8691 110.5891 -206203.3389 17640.1281 0.0000 0.0000 34341.3201 -149380.8630 299.9113 -183722.1831 -149283.9475 299.3138 -113.9440 -80.9811 556413.8572 6.8956 6.9517 PRESSURE: 4813000 -88.8416 -45.8467 -140.185 -45.848 75.4616 26.7771 -140.185 26.7775 -51.9796 GPRESSURE: 4813000 31.639 -51.2838 -153.472 -50.8997 80.0306 -11.9601 -115.46 102.733 -84.2816 PRESSAVG: 4813000 -11.8047 14.2941 -49.4674 14.2943 -10.4154 -27.503 -49.4674 -27.5031 -27.08 GPRESSAVG: 4813000 -12.0608 13.7998 -50.7292 13.5812 -9.31719 -28.5339 -48.2898 -24.9579 -27.2607 TIMING: 4813000 CPU: 14285.1, 0.00296701/step Wall: 14285.1, 0.00296701/step, 0.15412 hours remaining, 208.039062 MB of memory in use. ENERGY: 4813000 733.0501 2056.3239 1919.1913 112.8775 -206240.9904 17840.5107 0.0000 0.0000 34350.2114 -149228.8254 299.9889 -183579.0369 -149128.2744 299.1430 -21.7865 9.1293 558383.0987 -16.4334 -16.2129 PRESSURE: 4813200 166.995 -202.547 153.775 -202.547 60.6399 -51.9466 153.776 -51.9453 -238.172 GPRESSURE: 4813200 254.856 -184.8 201.48 -188.671 97.8321 -22.7658 125.879 -57.6189 -250.54 PRESSAVG: 4813200 11.8042 -11.3174 -8.85772 -11.3174 16.5747 -27.4224 -8.85773 -27.4225 -12.7284 GPRESSAVG: 4813200 11.5009 -10.1079 -9.21653 -12.297 16.4129 -25.4563 -9.77116 -28.2631 -11.9207 TIMING: 4813200 CPU: 14285.7, 0.00293626/step Wall: 14285.7, 0.00293626/step, 0.152359 hours remaining, 208.039062 MB of memory in use. ENERGY: 4813200 739.2225 2065.0911 1908.3156 101.2483 -206006.1126 17653.8848 0.0000 0.0000 34256.0484 -149282.3019 299.1666 -183538.3503 -149182.5792 299.2374 -3.5124 34.0492 558366.6906 5.2168 5.3310 PRESSURE: 4813400 77.8885 -188.988 16.2545 -188.987 -319.729 -22.3892 16.2544 -22.3904 -326.462 GPRESSURE: 4813400 122.216 -168.908 -116.982 -159.403 -268.716 29.8216 69.4599 -40.7869 -308.665 PRESSAVG: 4813400 18.2338 -19.1081 -2.2946 -19.1082 22.4394 -29.517 -2.29462 -29.5171 22.0735 GPRESSAVG: 4813400 19.3302 -19.533 -2.79596 -18.2334 21.3264 -30.5378 -0.664534 -29.8084 22.0232 TIMING: 4813400 CPU: 14286.3, 0.00293963/step Wall: 14286.3, 0.00293963/step, 0.152371 hours remaining, 208.039062 MB of memory in use. ENERGY: 4813400 732.1291 2076.4023 1911.6022 107.8168 -205688.3290 17435.1806 0.0000 0.0000 34275.2470 -149149.9510 299.3343 -183425.1980 -149059.0379 299.2850 -189.4340 -151.7218 557770.0004 20.9156 20.8933 PRESSURE: 4813600 321.161 -177.229 91.0667 -177.229 229.944 -128.705 91.0671 -128.706 -129.735 GPRESSURE: 4813600 363.058 -137.873 64.7317 -111.506 262.702 -178.036 70.4698 -25.9177 -105.001 PRESSAVG: 4813600 55.5676 63.8217 9.53503 63.8217 -7.01479 -39.4571 9.53496 -39.4573 -2.99121 GPRESSAVG: 4813600 54.5242 65.1494 9.70587 62.708 -6.05983 -37.0122 8.34677 -41.4436 -3.01219 TIMING: 4813600 CPU: 14286.9, 0.00293544/step Wall: 14286.9, 0.00293544/step, 0.15199 hours remaining, 208.039062 MB of memory in use. ENERGY: 4813600 749.9634 2083.4786 1932.7699 100.4544 -206493.6222 18045.3177 0.0000 0.0000 34444.6577 -149136.9806 300.8138 -183581.6382 -149037.8543 299.6200 140.4567 173.5863 556355.4693 15.1872 15.1507 PRESSURE: 4813800 -223.596 -1.9182 48.6448 -1.91881 15.4767 -71.8572 48.6436 -71.8553 -216.165 GPRESSURE: 4813800 -201.906 6.20035 79.3445 -14.0878 81.3434 -60.4013 -45.454 -91.5264 -202.1 PRESSAVG: 4813800 9.82012 7.44691 -23.5034 7.4469 -63.601 -8.56521 -23.5034 -8.56515 9.97898 GPRESSAVG: 4813800 9.58748 8.03992 -24.0354 6.8371 -63.8081 -12.5584 -22.5761 -5.50409 10.1256 TIMING: 4813800 CPU: 14287.5, 0.00292163/step Wall: 14287.5, 0.00292163/step, 0.151113 hours remaining, 208.039062 MB of memory in use. ENERGY: 4813800 746.2762 2102.8114 1926.5091 120.4016 -205901.8179 17659.7955 0.0000 0.0000 34217.6517 -149128.3724 298.8313 -183346.0241 -149031.3620 299.2297 -141.4283 -107.5543 557671.7358 -14.6006 -14.6983 PRESSURE: 4814000 -126.167 -71.4879 -140.335 -71.488 130.241 -67.7056 -140.335 -67.7063 -11.9177 GPRESSURE: 4814000 -82.0258 -72.3161 -120.213 -175.157 186.08 -173.33 -144.591 40.5346 -17.7584 PRESSAVG: 4814000 4.76232 -5.07944 12.6878 -5.07936 -9.96633 31.582 12.6878 31.5819 -36.238 GPRESSAVG: 4814000 4.63649 -7.32127 13.6002 -4.41744 -10.1937 31.3758 11.5947 32.5622 -35.6508 TIMING: 4814000 CPU: 14288.1, 0.00291244/step Wall: 14288.1, 0.00291244/step, 0.150476 hours remaining, 208.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4814000 713.4018 2072.0364 1914.1220 112.0742 -206201.7147 17778.7068 0.0000 0.0000 34276.6808 -149334.6927 299.3468 -183611.3735 -149234.6651 299.5276 -2.6143 28.7653 559154.7458 -13.8140 -13.7360 PRESSURE: 4814200 238.29 -21.5941 87.0279 -21.5946 38.3473 -11.0237 87.0274 -11.0218 6.39198 GPRESSURE: 4814200 370.684 6.34927 60.7364 -67.3899 10.2936 14.8674 75.0397 3.99785 -7.23554 PRESSAVG: 4814200 21.2558 -33.4993 32.9198 -33.4993 -59.9446 30.0739 32.9198 30.074 11.9624 GPRESSAVG: 4814200 22.021 -30.9763 31.1954 -33.166 -59.1818 32.9257 33.4232 26.9128 11.4799 TIMING: 4814200 CPU: 14288.7, 0.00292873/step Wall: 14288.7, 0.00292873/step, 0.151155 hours remaining, 208.039062 MB of memory in use. ENERGY: 4814200 759.3551 2074.3607 1916.9185 115.5837 -205887.2410 17836.8874 0.0000 0.0000 33978.0249 -149206.1105 296.7385 -183184.1355 -149105.7984 298.9294 94.3430 124.5808 559476.5736 -8.9088 -8.5603 PRESSURE: 4814400 -325.704 -194.604 -89.3972 -194.604 -328.352 -203.806 -89.3976 -203.807 -168.255 GPRESSURE: 4814400 -312.475 -304.16 -118.228 -125.74 -282.704 -150.412 -125.903 -243.46 -118.412 PRESSAVG: 4814400 67.56 -34.1595 4.99786 -34.1595 -28.9259 -25.0366 4.99777 -25.0366 -14.9337 GPRESSAVG: 4814400 66.3423 -35.5031 4.7845 -34.1302 -28.5378 -26.4935 5.69332 -24.6003 -14.1522 TIMING: 4814400 CPU: 14289.2, 0.00292355/step Wall: 14289.2, 0.00292355/step, 0.150725 hours remaining, 208.039062 MB of memory in use. ENERGY: 4814400 731.7526 2106.3928 1900.0645 104.7818 -206101.7150 17506.6525 0.0000 0.0000 34381.6338 -149370.4370 300.2634 -183752.0708 -149275.6253 299.2851 -274.1037 -237.8636 559404.2870 7.9002 7.8841 PRESSURE: 4814600 -32.6776 -67.1329 -43.674 -67.132 -188.963 -80.6194 -43.6738 -80.6186 108.515 GPRESSURE: 4814600 1.81214 -168.334 -116.66 15.3703 -148.454 -54.6477 -6.03312 -106.351 132.154 PRESSAVG: 4814600 -43.1687 -44.8554 1.66285 -44.8553 50.1239 60.1384 1.66292 60.1384 1.23196 GPRESSAVG: 4814600 -42.8722 -46.1971 2.39649 -44.9124 49.3494 60.093 2.71506 59.8982 1.69237 TIMING: 4814600 CPU: 14289.8, 0.00293494/step Wall: 14289.8, 0.00293494/step, 0.151149 hours remaining, 208.039062 MB of memory in use. ENERGY: 4814600 744.4935 2148.1773 1883.1074 107.7427 -206178.7886 17705.2312 0.0000 0.0000 34154.4568 -149435.5797 298.2794 -183590.0365 -149344.3749 298.6421 -37.7085 -4.8293 557913.8485 2.7291 2.7232 PRESSURE: 4814800 -103.952 123.662 -54.7212 123.661 -69.7103 28.8364 -54.7206 28.8357 -27.8837 GPRESSURE: 4814800 -56.6096 117.139 -44.9769 39.0206 -91.6077 -15.0719 -93.2387 35.3317 45.8911 PRESSAVG: 4814800 -63.4496 43.1252 34.6894 43.1253 33.2692 6.58693 34.6893 6.58704 36.9236 GPRESSAVG: 4814800 -63.7482 44.6911 35.9327 44.1323 33.9375 5.8978 33.2187 6.93301 36.503 TIMING: 4814800 CPU: 14290.4, 0.00295084/step Wall: 14290.4, 0.00295084/step, 0.151804 hours remaining, 208.039062 MB of memory in use. ENERGY: 4814800 738.4964 2087.4751 1932.3243 122.7929 -205959.5552 17672.0890 0.0000 0.0000 34046.8899 -149359.4876 297.3400 -183406.3776 -149257.0311 298.6876 -67.1820 -34.1087 558744.9736 2.2477 2.2308 PRESSURE: 4815000 206.259 40.172 43.8323 40.1711 181.263 -38.0831 43.8324 -38.0821 46.2137 GPRESSURE: 4815000 252.125 -14.374 193.265 -7.96284 213.846 -165.194 -53.9574 43.3923 70.3802 PRESSAVG: 4815000 -2.0942 26.15 17.5355 26.1499 14.8885 8.8501 17.5355 8.84997 3.37468 GPRESSAVG: 4815000 -1.82293 25.5783 18.1679 27.0018 14.4869 8.99998 16.7914 10.4122 3.77508 TIMING: 4815000 CPU: 14291, 0.0029351/step Wall: 14291, 0.0029351/step, 0.150832 hours remaining, 208.039062 MB of memory in use. ENERGY: 4815000 740.7832 2110.0897 1893.0716 107.2163 -206487.8778 17979.8222 0.0000 0.0000 34190.0532 -149466.8416 298.5902 -183656.8948 -149373.2615 298.4704 144.5785 178.7836 557349.4344 5.3897 5.4797 PRESSURE: 4815200 -80.7803 -198.97 86.1824 -198.97 -435.095 -157.467 86.1823 -157.468 -191.305 GPRESSURE: 4815200 -54.397 -242.362 113.682 -179.628 -402.256 -167.278 44.0235 -100.141 -157.647 PRESSAVG: 4815200 73.954 13.3538 44.2073 13.3538 -28.0853 -13.4401 44.2074 -13.4401 -33.3838 GPRESSAVG: 4815200 73.7383 14.726 43.4902 11.9793 -28.6337 -12.9843 44.8801 -14.9286 -32.652 TIMING: 4815200 CPU: 14291.6, 0.00291027/step Wall: 14291.6, 0.00291027/step, 0.149394 hours remaining, 208.039062 MB of memory in use. ENERGY: 4815200 745.7952 2081.6526 1917.4166 114.3632 -205939.7651 17465.5188 0.0000 0.0000 34178.4465 -149436.5722 298.4889 -183615.0187 -149339.2477 298.4509 -235.7266 -204.7668 559495.1593 4.1616 4.1509 PRESSURE: 4815400 -55.3025 37.9306 -63.3918 37.9308 -96.0016 143.896 -63.3923 143.895 -76.951 GPRESSURE: 4815400 -34.7691 92.3963 -51.7721 -17.1413 -53.8872 157.937 -96.3421 123.623 -48.0449 PRESSAVG: 4815400 101.6 -7.92305 55.194 -7.92306 -85.9216 -40.2599 55.194 -40.2598 -14.068 GPRESSAVG: 4815400 101.229 -6.9524 54.9052 -8.00407 -85.7671 -41.278 56.083 -38.9062 -13.8458 TIMING: 4815400 CPU: 14292.2, 0.00290944/step Wall: 14292.2, 0.00290944/step, 0.14919 hours remaining, 208.039062 MB of memory in use. ENERGY: 4815400 743.6237 2039.4780 1919.2909 124.9850 -206106.5709 17829.4965 0.0000 0.0000 34205.6618 -149244.0350 298.7266 -183449.6968 -149145.0458 298.8971 -76.0850 -45.5671 559863.1654 0.5369 0.5388 PRESSURE: 4815600 95.6235 55.0279 75.441 55.0276 -232.474 -63.9982 75.4403 -63.9981 116.698 GPRESSURE: 4815600 138.979 128.835 23.7011 4.16143 -232.439 -63.5842 74.3706 -77.8746 175.841 PRESSAVG: 4815600 -15.5093 23.1286 -62.3345 23.1286 -75.5768 -13.9675 -62.3346 -13.9674 45.7152 GPRESSAVG: 4815600 -14.7766 20.2161 -62.4691 23.8886 -74.9616 -12.7329 -61.5162 -16.0732 44.409 TIMING: 4815600 CPU: 14292.8, 0.0029095/step Wall: 14292.8, 0.0029095/step, 0.149031 hours remaining, 208.039062 MB of memory in use. ENERGY: 4815600 767.5678 2103.0472 1929.8673 110.8210 -206278.4192 17970.2919 0.0000 0.0000 34119.8204 -149277.0037 297.9769 -183396.8240 -149181.5714 298.6087 -6.7176 27.4602 559973.9857 -15.1236 -15.1097 PRESSURE: 4815800 163.526 107.699 -309.46 107.699 20.4341 -68.8142 -309.46 -68.8128 -25.0089 GPRESSURE: 4815800 220.11 93.8273 -285.401 94.4803 58.3577 -94.3898 -244.497 2.06498 -10.9012 PRESSAVG: 4815800 -7.52931 20.7575 -53.2895 20.7575 18.3622 19.0376 -53.2895 19.0375 11.0593 GPRESSAVG: 4815800 -6.86379 21.8961 -52.4008 21.1506 17.7109 18.4772 -52.8102 20.7168 11.822 TIMING: 4815800 CPU: 14293.3, 0.00293313/step Wall: 14293.3, 0.00293312/step, 0.150078 hours remaining, 208.039062 MB of memory in use. ENERGY: 4815800 766.4027 2103.5036 1911.6514 98.3447 -206685.8658 17973.9419 0.0000 0.0000 34421.0360 -149410.9856 300.6075 -183832.0216 -149314.3520 298.9249 52.9838 89.1889 558263.5588 7.2974 7.5564 PRESSURE: 4816000 -257.017 170.523 22.9178 170.523 -385.252 -41.946 22.919 -41.9449 -6.20767 GPRESSURE: 4816000 -190.43 160.732 -70.3778 217.895 -351.898 -67.0956 39.7102 -17.2739 -10.4859 PRESSAVG: 4816000 27.0131 -19.6722 -59.5457 -19.6722 22.0495 -1.52267 -59.5457 -1.52267 -32.9744 GPRESSAVG: 4816000 27.3632 -20.2033 -59.7813 -21.5768 21.7115 -2.63695 -60.7123 -2.59109 -33.8695 TIMING: 4816000 CPU: 14293.9, 0.00292529/step Wall: 14293.9, 0.00292529/step, 0.149515 hours remaining, 208.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4816000 742.0029 2060.8652 1880.9398 106.0097 -206285.7278 17711.6211 0.0000 0.0000 34285.6626 -149498.6264 299.4252 -183784.2890 -149403.0592 299.5286 -216.1589 -184.2716 558361.3102 5.3627 5.0684 PRESSURE: 4816200 27.3176 -90.4701 -202.793 -90.4711 423.241 4.41474 -202.792 4.41421 145.305 GPRESSURE: 4816200 59.9284 -133.492 -138.92 -108.207 410.097 21.7281 -225.747 18.5388 234.661 PRESSAVG: 4816200 25.6552 -43.2336 -82.7629 -43.2336 -10.2454 12.7579 -82.7629 12.7579 -34.8761 GPRESSAVG: 4816200 25.9365 -44.2211 -84.0834 -41.9378 -10.7697 15.5216 -82.7593 12.3483 -34.8008 TIMING: 4816200 CPU: 14294.5, 0.00294329/step Wall: 14294.5, 0.00294329/step, 0.150271 hours remaining, 208.039062 MB of memory in use. ENERGY: 4816200 739.3619 2067.2580 1913.9433 113.3358 -206674.6528 18194.2153 0.0000 0.0000 34066.1283 -149580.4102 297.5080 -183646.5385 -149484.4911 298.5302 198.6213 234.8956 557847.6207 -6.4888 -6.5447 LDB: ============= START OF LOAD BALANCING ============== 14298.1 LDB: ============== END OF LOAD BALANCING =============== 14298.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14298.1 LDB: ============= START OF LOAD BALANCING ============== 14298.4 LDB: Largest compute 4801 load 0.021832 is 18.4% of average load 0.118337 LDB: Average compute 0.001723 is 1.5% of average load 0.118337 LDB: TIME 14298.4 LOAD: AVG 0.118337 MAX 0.194508 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.344 MB LDB: TIME 14298.4 LOAD: AVG 0.118337 MAX 0.194508 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.543 MB LDB: TIME 14298.4 LOAD: AVG 0.118337 MAX 0.194508 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.543 MB LDB: ============== END OF LOAD BALANCING =============== 14298.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14298.4 PRESSURE: 4816400 -202.825 -115.283 -84.2912 -115.283 -76.3714 55.8435 -84.2916 55.8438 83.5313 GPRESSURE: 4816400 -174.933 -118.978 -81.513 -129.158 -59.4239 -49.7758 -21.0041 72.9103 130.409 PRESSAVG: 4816400 15.3829 -37.0511 -86.7171 -37.0512 -35.7423 37.7466 -86.7171 37.7467 -3.1809 GPRESSAVG: 4816400 14.3181 -36.3753 -85.2407 -37.4732 -35.3227 38.1543 -85.471 36.9393 -2.344 TIMING: 4816400 CPU: 14295.1, 0.00296446/step Wall: 14295.1, 0.00296446/step, 0.151188 hours remaining, 210.343750 MB of memory in use. ENERGY: 4816400 757.4771 2076.2129 1931.0420 115.0021 -206646.3260 18040.3171 0.0000 0.0000 34285.1171 -149441.1577 299.4205 -183726.2748 -149347.5992 298.1102 -65.2219 -34.6491 558348.6188 -7.8468 -7.7829 PRESSURE: 4816600 5.99823 -188.023 17.2453 -188.022 -174.533 -38.6079 17.2458 -38.6082 -328.55 GPRESSURE: 4816600 26.1524 -175.12 -32.2248 -236.732 -144.238 63.5521 73.5556 18.1744 -275.546 PRESSAVG: 4816600 77.7519 -24.5182 -18.658 -24.5183 -10.358 60.3101 -18.6581 60.3099 -34.1815 GPRESSAVG: 4816600 78.2615 -22.482 -20.4331 -26.0352 -10.178 58.7062 -20.5383 60.9354 -34.9447 TIMING: 4816600 CPU: 14295.7, 0.00290759/step Wall: 14295.7, 0.00290759/step, 0.148126 hours remaining, 210.546875 MB of memory in use. ENERGY: 4816600 761.5404 2028.7125 1933.8288 112.6065 -205979.3454 17781.2603 0.0000 0.0000 34314.1845 -149047.2124 299.6743 -183361.3969 -148956.8730 299.2359 -165.6949 -131.2107 557982.1139 11.0708 11.0463 PRESSURE: 4816800 -145.85 -85.4524 -18.9774 -85.4539 196.823 164.891 -18.9763 164.891 -93.4959 GPRESSURE: 4816800 -162.643 -153.844 -57.0073 -44.1296 184.785 103.954 -93.4014 191.028 18.5293 PRESSAVG: 4816800 -22.5504 -19.6397 -35.7809 -19.6397 17.4399 32.5239 -35.781 32.524 30.4529 GPRESSAVG: 4816800 -22.8419 -21.4734 -34.8159 -19.1383 17.0588 32.3152 -37.4612 34.1546 30.8681 TIMING: 4816800 CPU: 14296.3, 0.00294263/step Wall: 14296.3, 0.00294263/step, 0.149747 hours remaining, 210.546875 MB of memory in use. ENERGY: 4816800 782.2854 2127.9345 1923.9277 103.1991 -205871.1437 17800.7769 0.0000 0.0000 34148.1949 -148984.8251 298.2247 -183133.0200 -148892.2924 299.5708 -14.1743 13.5571 558862.2769 8.4475 8.3617 PRESSURE: 4817000 -44.1536 41.4511 111.346 41.4508 -146.794 -39.0538 111.347 -39.0535 -130.197 GPRESSURE: 4817000 3.85538 48.4968 174.992 -47.8069 -178.909 -29.8636 68.3584 52.8546 -41.9183 PRESSAVG: 4817000 32.5913 29.0836 75.6308 29.0835 -9.8517 16.5926 75.6308 16.5927 -23.4936 GPRESSAVG: 4817000 32.0667 29.4878 74.1741 29.3112 -10.5411 14.5273 78.6531 16.4692 -22.5755 TIMING: 4817000 CPU: 14296.9, 0.00291646/step Wall: 14296.9, 0.00291646/step, 0.148253 hours remaining, 210.546875 MB of memory in use. ENERGY: 4817000 737.3799 2131.9886 1924.1856 116.7904 -205894.5783 17650.7018 0.0000 0.0000 34344.1373 -148989.3948 299.9359 -183333.5321 -148885.7087 299.5595 -107.0482 -72.3239 559154.1678 -0.2513 -0.3500 PRESSURE: 4817200 116.607 29.5437 -84.7198 29.5438 -54.6493 -16.6953 -84.7192 -16.6961 -41.4244 GPRESSURE: 4817200 190.609 19.5101 -87.7794 -55.5535 -51.2329 -115.026 -84.4661 94.6611 -15.27 PRESSAVG: 4817200 25.3261 11.5573 7.1056 11.5574 1.6966 -24.5596 7.10562 -24.5596 -14.1037 GPRESSAVG: 4817200 25.9305 10.1788 6.50364 12.3015 2.24575 -23.3753 6.9567 -22.6351 -15.3665 TIMING: 4817200 CPU: 14297.4, 0.00290224/step Wall: 14297.4, 0.00290224/step, 0.147369 hours remaining, 210.546875 MB of memory in use. ENERGY: 4817200 770.7139 2136.6131 1934.6413 115.0312 -206260.6891 17949.8308 0.0000 0.0000 34232.5368 -149121.3219 298.9613 -183353.8588 -149028.4022 299.9414 6.8446 41.3686 558281.8539 4.3063 4.2699 PRESSURE: 4817400 -39.2771 124.03 98.5799 124.03 -110.332 79.3187 98.5798 79.3193 4.76816 GPRESSURE: 4817400 -33.9049 59.0339 161.286 170.727 -35.7758 149.311 106.011 9.91938 36.3249 PRESSAVG: 4817400 -14.7026 20.9207 10.0401 20.9207 -18.0067 17.594 10.0402 17.5941 31.0761 GPRESSAVG: 4817400 -15.5451 23.4945 12.068 19.8686 -17.5037 19.1405 9.96879 13.9654 31.1024 TIMING: 4817400 CPU: 14298, 0.00293456/step Wall: 14298, 0.00293456/step, 0.148847 hours remaining, 210.546875 MB of memory in use. ENERGY: 4817400 757.2512 2156.1179 1913.6619 114.6668 -205895.2993 17743.2597 0.0000 0.0000 34069.3277 -149141.0141 297.5359 -183210.3418 -149057.0662 299.7648 -48.2804 -11.1186 559752.2075 -0.5444 -0.6488 PRESSURE: 4817600 93.0366 -57.6971 5.81885 -57.6963 280.999 39.484 5.81938 39.4839 172.17 GPRESSURE: 4817600 198.956 -67.864 81.0538 -55.624 246.032 81.2672 -12.7085 -13.2516 193.332 PRESSAVG: 4817600 11.3309 5.80531 8.38289 5.80528 6.11842 15.907 8.38298 15.9069 0.833512 GPRESSAVG: 4817600 12.5373 6.69455 10.3867 5.76394 5.77679 16.1831 7.13222 15.2785 0.0569154 TIMING: 4817600 CPU: 14298.6, 0.00292111/step Wall: 14298.6, 0.00292111/step, 0.148003 hours remaining, 210.546875 MB of memory in use. ENERGY: 4817600 758.9423 2100.5658 1914.9015 118.2062 -206589.2681 18133.1599 0.0000 0.0000 34296.8145 -149266.6780 299.5226 -183563.4925 -149172.5878 298.8899 182.0687 212.7733 557209.9344 6.0943 6.1237 PRESSURE: 4817800 -146.39 -126.746 185.089 -126.745 17.7135 139.187 185.089 139.187 70.2124 GPRESSURE: 4817800 -72.7578 -80.242 146.012 -137.929 20.8478 6.37868 113.757 149.074 98.2222 PRESSAVG: 4817800 -27.2848 -60.8984 27.3794 -60.8983 11.484 41.1133 27.3794 41.1131 35.5559 GPRESSAVG: 4817800 -28.1472 -61.1319 25.0422 -58.9008 11.7145 39.6927 29.5295 43.0065 36.4469 TIMING: 4817800 CPU: 14299.2, 0.00293096/step Wall: 14299.2, 0.00293096/step, 0.148339 hours remaining, 210.546875 MB of memory in use. ENERGY: 4817800 740.7941 2052.4131 1946.7077 122.1776 -206138.7222 17742.3081 0.0000 0.0000 34205.0945 -149329.2270 298.7216 -183534.3215 -149239.5084 298.6672 -19.4880 15.4374 557841.1320 6.5850 6.6714 PRESSURE: 4818000 -107.661 1.59652 7.4491 1.59789 -175.657 76.3571 7.44828 76.3571 241 GPRESSURE: 4818000 -67.7082 -81.2662 -31.001 -13.9578 -69.8072 76.7806 -30.3285 26.3529 209.944 PRESSAVG: 4818000 3.89716 26.744 18.7365 26.7441 -22.5333 50.0169 18.7365 50.0169 -7.38983 GPRESSAVG: 4818000 4.72647 26.0958 20.6719 25.0922 -23.2895 52.524 17.3125 46.9384 -6.96702 TIMING: 4818000 CPU: 14299.8, 0.0029416/step Wall: 14299.8, 0.0029416/step, 0.148714 hours remaining, 210.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4818000 751.9443 2095.1050 1920.7711 122.4994 -206333.4271 17901.9833 0.0000 0.0000 34123.0346 -149418.0893 298.0049 -183541.1239 -149323.3765 298.6235 -14.1058 24.1430 558304.9061 -8.6753 -8.5100 PRESSURE: 4818200 98.2057 -21.6454 58.1788 -21.6446 224.478 -9.09349 58.1784 -9.09329 106.205 GPRESSURE: 4818200 215.005 -42.2752 39.3721 -13.8128 180.956 -37.3405 78.9881 -42.3427 138.402 PRESSAVG: 4818200 -43.5108 16.9939 -37.9322 16.994 71.8881 46.2801 -37.9322 46.2801 -7.67343 GPRESSAVG: 4818200 -44.7461 17.2991 -40.3977 17.5296 72.7732 44.8543 -38.0937 49.5916 -7.52914 TIMING: 4818200 CPU: 14300.4, 0.00293595/step Wall: 14300.4, 0.00293595/step, 0.148266 hours remaining, 210.546875 MB of memory in use. ENERGY: 4818200 729.5169 2091.5780 1919.2762 116.9633 -206575.4637 18104.4604 0.0000 0.0000 34296.1600 -149317.5090 299.5169 -183613.6690 -149227.4598 299.1400 142.9631 178.1212 557083.0023 6.9013 6.8326 PRESSURE: 4818400 -77.0541 -83.3736 30.009 -83.3737 -269.297 87.2315 30.0079 87.2321 170.345 GPRESSURE: 4818400 -38.4957 -101.253 77.9007 -95.5393 -240.981 67.6122 -15.6049 19.3612 194.77 PRESSAVG: 4818400 -42.9861 7.13894 8.94913 7.13898 23.6357 58.2022 8.94913 58.2023 21.1174 GPRESSAVG: 4818400 -42.978 6.91499 10.5671 8.67628 23.7279 58.0946 7.38236 57.3355 20.917 TIMING: 4818400 CPU: 14301, 0.00294924/step Wall: 14301, 0.00294924/step, 0.148773 hours remaining, 210.546875 MB of memory in use. ENERGY: 4818400 749.7561 2085.4290 1925.2415 121.8638 -206040.5560 17847.7736 0.0000 0.0000 34129.5787 -149180.9132 298.0621 -183310.4919 -149087.4308 298.6381 -58.6687 -28.2357 558152.0118 0.5890 0.5556 PRESSURE: 4818600 -68.5324 111.634 95.5673 111.634 -182.218 20.4511 95.5664 20.4517 -332.735 GPRESSURE: 4818600 -28.9377 80.5118 -44.8305 87.8489 -164.005 6.97244 125.054 19.1155 -295.097 PRESSAVG: 4818600 -60.4693 -10.0581 14.505 -10.0582 4.80346 -37.0876 14.505 -37.0876 55.3294 GPRESSAVG: 4818600 -59.6255 -9.13574 15.3777 -11.2708 4.26911 -37.3414 15.3853 -36.1668 54.9954 TIMING: 4818600 CPU: 14301.6, 0.00294458/step Wall: 14301.6, 0.00294458/step, 0.148374 hours remaining, 210.546875 MB of memory in use. ENERGY: 4818600 705.3877 2076.4109 1926.6074 107.9436 -205805.4271 17492.0788 0.0000 0.0000 34258.9889 -149238.0098 299.1923 -183496.9986 -149144.7502 298.8676 -194.4951 -162.6800 558949.8112 -0.1121 -0.1203 PRESSURE: 4818800 -56.272 44.3124 -29.2768 44.3123 82.3396 -61.163 -29.2757 -61.1623 28.9677 GPRESSURE: 4818800 -12.7055 35.8806 78.6868 151.575 41.1095 -130.42 -60.6186 -81.0921 124.056 PRESSAVG: 4818800 0.868577 6.24993 2.38851 6.24991 -31.7084 4.72219 2.38853 4.72218 13.4944 GPRESSAVG: 4818800 0.930856 6.61632 1.33305 5.84084 -32.4639 2.93589 4.00424 3.45915 14.0331 TIMING: 4818800 CPU: 14302.2, 0.00301655/step Wall: 14302.2, 0.00301655/step, 0.151833 hours remaining, 210.546875 MB of memory in use. ENERGY: 4818800 729.6625 2056.1216 1933.3385 109.0974 -205795.4482 17767.7253 0.0000 0.0000 34014.7303 -149184.7726 297.0591 -183199.5029 -149086.8790 298.8732 18.3451 50.8200 558299.8895 -5.7818 -5.8333 PRESSURE: 4819000 -224.295 53.1575 283.202 53.1572 -103.386 14.8611 283.202 14.8612 60.6338 GPRESSURE: 4819000 -171.642 61.2899 382.497 5.89376 -52.2386 -52.9461 301.385 100.174 56.0514 PRESSAVG: 4819000 32.2159 -9.99321 48.1521 -9.99338 25.597 21.4651 48.1521 21.465 -24.0995 GPRESSAVG: 4819000 31.6337 -10.831 46.6705 -9.97049 26.9121 22.4659 48.4245 24.247 -24.7269 TIMING: 4819000 CPU: 14302.7, 0.00292221/step Wall: 14302.7, 0.00292221/step, 0.146922 hours remaining, 210.546875 MB of memory in use. ENERGY: 4819000 726.3132 2128.2362 1921.4735 110.7350 -205955.3879 17695.0433 0.0000 0.0000 34168.6370 -149204.9497 298.4032 -183373.5867 -149101.2390 299.4639 -89.0158 -55.9430 557786.1243 11.2378 11.2730 PRESSURE: 4819200 -268.975 -79.4635 -72.4352 -79.4637 196.624 113.643 -72.4366 113.644 -265.825 GPRESSURE: 4819200 -209.714 -77.1857 -144.251 -103.683 203.6 163.519 -80.2994 53.2223 -230.96 PRESSAVG: 4819200 -10.4336 -0.801137 -2.96362 -0.800978 52.2002 -26.2511 -2.96361 -26.251 -12.4344 GPRESSAVG: 4819200 -11.269 -2.4806 -0.683286 -0.155832 52.2445 -24.8348 -5.36071 -29.0525 -11.5092 TIMING: 4819200 CPU: 14303.3, 0.00292904/step Wall: 14303.3, 0.00292904/step, 0.147103 hours remaining, 210.546875 MB of memory in use. ENERGY: 4819200 762.9294 2079.4447 1943.7550 117.1068 -206127.6065 17625.0030 0.0000 0.0000 34406.3357 -149193.0320 300.4791 -183599.3677 -149101.9923 299.2196 -112.7255 -79.0247 556215.3963 9.7774 9.8221 PRESSURE: 4819400 62.2542 -154.92 25.5555 -154.919 144.236 105.53 25.5566 105.53 193.658 GPRESSURE: 4819400 93.7246 -65.9104 57.9103 -189.171 182.331 118.739 38.1102 180.633 222.704 PRESSAVG: 4819400 27.5218 -59.2092 13.1948 -59.2091 48.7645 33.6147 13.1948 33.6146 -46.6888 GPRESSAVG: 4819400 27.5784 -57.9048 11.5216 -59.5448 49.2949 31.8217 13.145 35.4902 -47.2565 TIMING: 4819400 CPU: 14303.9, 0.00295093/step Wall: 14303.9, 0.00295093/step, 0.148038 hours remaining, 210.546875 MB of memory in use. ENERGY: 4819400 719.9913 2075.2790 1926.3571 112.2561 -206468.7408 18142.9601 0.0000 0.0000 34392.3557 -149099.5416 300.3570 -183491.8973 -149007.2712 299.8809 133.3826 166.2531 557128.4986 9.8658 9.8723 PRESSURE: 4819600 -179.861 -146.686 73.1454 -146.686 -170.408 -23.3009 73.1462 -23.3008 -58.8096 GPRESSURE: 4819600 -134.849 -143.175 124.905 -175.723 -193.09 -34.3736 112.256 -70.3378 13.466 PRESSAVG: 4819600 -81.2096 13.865 14.458 13.865 16.5464 30.7671 14.458 30.7672 9.95115 GPRESSAVG: 4819600 -81.5222 14.3591 15.2019 16.1275 16.6553 32.8564 16.1517 28.1717 10.5501 TIMING: 4819600 CPU: 14304.5, 0.00294486/step Wall: 14304.5, 0.00294486/step, 0.14757 hours remaining, 210.546875 MB of memory in use. ENERGY: 4819600 746.4943 2098.6418 1942.0443 122.1801 -205837.2364 17478.6444 0.0000 0.0000 34192.0761 -149257.1554 298.6079 -183449.2314 -149157.0411 298.6228 -136.3597 -104.8242 557277.5928 -18.2374 -18.1056 PRESSURE: 4819800 -10.7995 2.82313 110.058 2.82216 -110.465 -167.259 110.059 -167.257 151.767 GPRESSURE: 4819800 20.9729 12.9444 203.558 -2.11059 -112.372 -131.61 69.5513 -75.6162 233.873 PRESSAVG: 4819800 -54.544 -7.24601 9.46483 -7.24602 -45.107 -6.64216 9.4648 -6.64214 71.7917 GPRESSAVG: 4819800 -54.3563 -7.84668 9.44415 -9.34359 -44.9699 -7.46437 7.52894 -7.7073 72.2457 TIMING: 4819800 CPU: 14305.1, 0.00294112/step Wall: 14305.1, 0.00294112/step, 0.147219 hours remaining, 210.546875 MB of memory in use. ENERGY: 4819800 754.7599 2080.8987 1929.6769 108.3333 -206482.2000 18035.9818 0.0000 0.0000 34353.6372 -149218.9121 300.0189 -183572.5493 -149127.8853 298.8344 10.1676 47.4913 557033.5578 -9.2864 -9.0268 PRESSURE: 4820000 -268.255 8.11148 102.783 8.11059 -85.5169 -0.00946207 102.783 -0.010228 5.70122 GPRESSURE: 4820000 -279.601 -14.5119 108.281 83.3852 -10.0579 -21.2374 62.1895 22.4955 45.2742 PRESSAVG: 4820000 -24.6578 29.1108 10.5592 29.1108 -0.756475 19.0118 10.5592 19.0117 -1.19517 GPRESSAVG: 4820000 -25.3978 31.3537 9.01464 28.9169 0.352399 16.8627 12.3252 19.6697 -1.90518 TIMING: 4820000 CPU: 14305.7, 0.00294337/step Wall: 14305.7, 0.00294337/step, 0.147169 hours remaining, 210.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4820000 732.5725 2107.6791 1928.8778 113.4338 -205970.4219 17546.4707 0.0000 0.0000 34316.1824 -149225.2056 299.6918 -183541.3880 -149123.8080 299.2267 -116.0235 -81.4616 557364.0017 -8.8698 -8.9835 PRESSURE: 4820200 -25.9105 -0.329614 27.8537 -0.330004 -47.9061 -120.676 27.8546 -120.676 50.5126 GPRESSURE: 4820200 20.9234 3.0025 76.5511 21.5941 -33.6063 -58.3271 -44.1002 -102.691 88.2035 PRESSAVG: 4820200 -21.7896 -33.2257 12.4888 -33.2256 48.6084 -4.81229 12.4887 -4.81235 -8.86612 GPRESSAVG: 4820200 -20.5869 -34.563 13.4801 -34.0125 46.8159 -3.08362 11.54 -2.72418 -8.15976 TIMING: 4820200 CPU: 14306.3, 0.00293966/step Wall: 14306.3, 0.00293966/step, 0.146819 hours remaining, 210.546875 MB of memory in use. ENERGY: 4820200 687.1655 2107.5692 1927.8603 109.4464 -205801.2185 17624.1621 0.0000 0.0000 34187.1553 -149157.8597 298.5649 -183345.0150 -149059.8770 299.2184 -7.7680 25.1735 559043.6303 5.9842 6.0231 LDB: ============= START OF LOAD BALANCING ============== 14309.8 LDB: ============== END OF LOAD BALANCING =============== 14309.8 LDB: =============== DONE WITH MIGRATION ================ 14309.8 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 14310.1 LDB: Largest compute 4801 load 0.023674 is 20.0% of average load 0.118351 LDB: Average compute 0.001717 is 1.5% of average load 0.118351 LDB: TIME 14310.1 LOAD: AVG 0.118351 MAX 0.199117 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.766 MB LDB: TIME 14310.1 LOAD: AVG 0.118351 MAX 0.199117 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.766 MB LDB: TIME 14310.1 LOAD: AVG 0.118351 MAX 0.199117 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.766 MB LDB: ============== END OF LOAD BALANCING =============== 14310.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14310.1 PRESSURE: 4820400 85.1537 -17.3599 38.023 -17.3605 -227.87 -17.0448 38.0219 -17.0452 -144.411 GPRESSURE: 4820400 83.046 -29.6313 137.198 -23.3062 -183.899 59.7805 -8.84767 -63.4222 -90.1161 PRESSAVG: 4820400 26.7776 -19.6737 26.7023 -19.6737 -22.1172 -21.0842 26.7024 -21.0842 14.4255 GPRESSAVG: 4820400 27.8101 -19.7883 26.2147 -18.888 -21.64 -20.026 26.7658 -21.9018 13.3642 TIMING: 4820400 CPU: 14306.9, 0.00302933/step Wall: 14306.9, 0.00302933/step, 0.15113 hours remaining, 209.250000 MB of memory in use. ENERGY: 4820400 773.7082 2080.0377 1921.9475 117.5758 -205712.2689 17525.4138 0.0000 0.0000 34234.4073 -149059.1787 298.9776 -183293.5860 -148971.4162 299.5278 -95.7093 -63.6565 556476.2689 6.3619 6.5115 PRESSURE: 4820600 -196.26 170.15 29.5899 170.151 90.0473 -75.3625 29.5884 -75.3627 22.6474 GPRESSURE: 4820600 -160.963 180.821 59.7639 122.315 137.552 -151.016 14.4512 -39.305 49.5652 PRESSAVG: 4820600 -10.5819 30.8394 -2.65579 30.8395 37.1719 54.9194 -2.65583 54.9195 -4.93378 GPRESSAVG: 4820600 -12.3374 31.1421 -2.3262 31.0696 38.4574 54.3978 -1.7961 54.53 -4.98749 TIMING: 4820600 CPU: 14307.5, 0.0029798/step Wall: 14307.5, 0.0029798/step, 0.148494 hours remaining, 209.250000 MB of memory in use. ENERGY: 4820600 744.0625 2118.9167 1928.2221 128.0372 -205828.6891 17504.7652 0.0000 0.0000 34282.7036 -149121.9818 299.3994 -183404.6853 -149029.0995 299.3247 -27.8552 8.7179 557890.9211 7.2187 7.0442 PRESSURE: 4820800 -149.633 95.7839 -86.5846 95.7848 -278.23 -102.016 -86.5838 -102.017 102.75 GPRESSURE: 4820800 -180.264 69.7806 -95.8357 100.042 -197.86 -67.9031 -77.4445 -118.165 142.255 PRESSAVG: 4820800 -109.2 12.3718 -14.9268 12.3718 5.2651 -18.9122 -14.9267 -18.9122 120.732 GPRESSAVG: 4820800 -108.041 11.642 -16.2186 12.2267 3.83213 -18.7743 -14.3026 -18.0306 120.695 TIMING: 4820800 CPU: 14308.1, 0.00296244/step Wall: 14308.1, 0.00296244/step, 0.147464 hours remaining, 209.250000 MB of memory in use. ENERGY: 4820800 724.8999 2120.7416 1920.4425 124.1647 -205788.4895 17545.7397 0.0000 0.0000 34181.6092 -149170.8918 298.5165 -183352.5010 -149069.8433 299.6609 -108.3710 -78.6228 557751.3010 5.5992 5.4954 PRESSURE: 4821000 99.179 131.262 55.8236 131.262 -263.332 81.4286 55.8247 81.4295 -73.9001 GPRESSURE: 4821000 204.076 197.416 -14.2132 97.1651 -272.463 44.8912 37.399 62.2225 -75.9891 PRESSAVG: 4821000 7.57391 70.018 -8.46121 70.018 17.1025 -2.41346 -8.46116 -2.41346 -6.28864 GPRESSAVG: 4821000 8.88023 69.4817 -6.55799 69.8619 16.8447 -1.97019 -7.92643 -3.6268 -7.17585 TIMING: 4821000 CPU: 14308.7, 0.00297743/step Wall: 14308.7, 0.00297743/step, 0.148044 hours remaining, 209.250000 MB of memory in use. ENERGY: 4821000 709.5835 2108.0091 1930.4345 118.3239 -205824.7891 17591.5032 0.0000 0.0000 34282.7364 -149084.1985 299.3997 -183366.9349 -148989.7987 299.6862 -79.3510 -48.1255 557040.3885 6.1293 6.1830 PRESSURE: 4821200 196.96 152.512 60.578 152.511 -116.177 -119.818 60.5794 -119.816 -13.9664 GPRESSURE: 4821200 201.687 172.831 77.3283 169.319 -58.29 -31.8629 76.8701 -94.3501 33.7112 PRESSAVG: 4821200 -13.0584 49.7243 -19.6172 49.7243 30.3993 30.24 -19.617 30.2399 3.76402 GPRESSAVG: 4821200 -15.1305 51.7707 -19.9747 48.5249 31.9179 28.8552 -20.2909 31.6503 3.50732 TIMING: 4821200 CPU: 14309.3, 0.00294376/step Wall: 14309.3, 0.00294376/step, 0.146207 hours remaining, 209.250000 MB of memory in use. ENERGY: 4821200 747.5465 2095.5561 1929.2582 108.2861 -206505.9443 18142.2791 0.0000 0.0000 34291.4982 -149191.5200 299.4762 -183483.0183 -149105.1317 299.4356 22.2724 59.0362 557287.4995 7.0350 6.7649 PRESSURE: 4821400 -62.6081 44.5888 -83.2192 44.588 11.1507 53.0381 -83.2196 53.0369 -127.58 GPRESSURE: 4821400 -8.66778 79.9688 -101.109 4.90698 79.8738 -5.9495 -69.5597 66.0519 -151.668 PRESSAVG: 4821400 10.9621 18.9598 -1.79379 18.9597 -49.0475 -30.6182 -1.79373 -30.6182 37.3872 GPRESSAVG: 4821400 12.0861 15.9756 -1.51712 20.5818 -50.714 -32.4195 -0.572537 -30.1159 37.8155 TIMING: 4821400 CPU: 14309.8, 0.00294133/step Wall: 14309.8, 0.00294133/step, 0.145923 hours remaining, 209.250000 MB of memory in use. ENERGY: 4821400 758.5912 2104.3313 1892.2719 117.3638 -206354.8134 17863.7408 0.0000 0.0000 34399.2189 -149219.2955 300.4169 -183618.5144 -149119.6138 299.3480 -59.6792 -26.8206 557064.1964 -0.2327 -0.2708 PRESSURE: 4821600 124.72 70.8909 69.4837 70.8909 -97.0092 18.3182 69.4831 18.3175 285.447 GPRESSURE: 4821600 143.194 18.2948 97.6337 25.5534 -68.7981 127.475 23.1005 8.1365 331.91 PRESSAVG: 4821600 7.07393 34.8075 -29.4492 34.8076 -35.7971 -1.17099 -29.4492 -1.17089 46.6765 GPRESSAVG: 4821600 7.57188 34.6767 -27.7048 34.7218 -36.083 2.07484 -30.9425 -3.6607 46.0555 TIMING: 4821600 CPU: 14310.4, 0.00298604/step Wall: 14310.4, 0.00298604/step, 0.147975 hours remaining, 209.250000 MB of memory in use. ENERGY: 4821600 731.1394 2079.6096 1934.6578 107.5629 -206183.8706 17854.7325 0.0000 0.0000 34279.6827 -149196.4856 299.3730 -183476.1683 -149102.9627 299.7586 104.3861 135.4352 556360.4573 5.9845 5.8481 PRESSURE: 4821800 -225.27 -12.0254 31.7914 -12.0249 -246.467 20.9745 31.7917 20.9737 11.9921 GPRESSURE: 4821800 -129.784 11.1977 -30.8714 -37.4273 -253.588 -11.9569 134.924 -24.335 26.3701 PRESSAVG: 4821800 13.6299 20.7023 -18.956 20.7023 -47.0774 -21.537 -18.9559 -21.537 44.1248 GPRESSAVG: 4821800 12.9437 20.0264 -21.4504 20.5922 -46.7068 -21.6785 -18.7648 -20.8247 44.0628 TIMING: 4821800 CPU: 14311, 0.00292918/step Wall: 14311, 0.00292918/step, 0.144994 hours remaining, 209.250000 MB of memory in use. ENERGY: 4821800 759.8969 2108.0182 1923.3578 118.7184 -206225.7504 17649.9579 0.0000 0.0000 34289.1467 -149376.6545 299.4556 -183665.8012 -149276.2714 298.9587 -153.2483 -119.0005 558031.5586 3.5591 3.4332 PRESSURE: 4822000 -212.841 108.372 -29.638 108.372 381.852 45.0369 -29.6386 45.0387 23.0832 GPRESSURE: 4822000 -223.323 142.32 -56.8597 61.6758 441.969 29.5751 -42.9482 51.2878 76.4722 PRESSAVG: 4822000 -29.0979 61.5925 6.50966 61.5926 37.0306 -3.11111 6.50968 -3.11108 -30.4477 GPRESSAVG: 4822000 -28.6957 63.3207 9.69406 62.1685 37.4294 -3.64285 6.47307 -2.5724 -31.3377 TIMING: 4822000 CPU: 14311.6, 0.00293026/step Wall: 14311.6, 0.00293026/step, 0.144885 hours remaining, 209.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4822000 718.2124 2110.0515 1953.0886 126.3553 -206396.5450 18093.8273 0.0000 0.0000 34220.3396 -149174.6704 298.8547 -183395.0100 -149085.0521 299.2100 64.0315 98.3729 559111.7278 -7.5050 -7.5347 PRESSURE: 4822200 -124.947 76.8081 177.952 76.809 130.015 -70.1253 177.954 -70.1268 18.9285 GPRESSURE: 4822200 -129.909 98.2185 144.959 19.2183 166.373 -114.554 123.733 -78.1171 87.1876 PRESSAVG: 4822200 -27.0677 5.76015 92.6143 5.76015 60.8237 8.85802 92.6142 8.85791 20.5758 GPRESSAVG: 4822200 -28.7085 3.99397 90.9812 7.34914 61.1026 9.70404 93.1114 7.3493 22.0422 TIMING: 4822200 CPU: 14312.2, 0.0029402/step Wall: 14312.2, 0.0029402/step, 0.145213 hours remaining, 209.250000 MB of memory in use. ENERGY: 4822200 767.4120 2067.7090 1904.0945 125.8597 -206253.2148 18086.6158 0.0000 0.0000 34301.1751 -149000.3486 299.5607 -183301.5236 -148904.4517 299.4915 7.9987 41.2173 559023.4272 18.1106 18.1454 PRESSURE: 4822400 -170.137 -15.8766 -23.6619 -15.8757 -272.55 93.135 -23.6634 93.1362 -162.647 GPRESSURE: 4822400 -168.53 68.0885 57.2053 -53.7771 -252.015 33.9222 -57.0679 110.905 -86.9236 PRESSAVG: 4822400 -48.7829 14.6392 60.8015 14.6392 64.7587 -42.7497 60.8014 -42.7496 29.7666 GPRESSAVG: 4822400 -48.9024 14.6138 60.6226 12.4102 63.9313 -45.3691 60.6511 -38.9624 30.1538 TIMING: 4822400 CPU: 14312.8, 0.00294896/step Wall: 14312.8, 0.00294896/step, 0.145482 hours remaining, 209.250000 MB of memory in use. ENERGY: 4822400 767.0119 2145.3814 1900.8813 112.3793 -205723.2210 17623.0382 0.0000 0.0000 34148.4811 -149026.0479 298.2272 -183174.5290 -148935.2285 299.2427 -201.7781 -169.1561 559200.4524 15.2475 15.0609 PRESSURE: 4822600 -132.724 93.6168 22.1134 93.6162 9.68011 45.8789 22.113 45.8793 -182.532 GPRESSURE: 4822600 -91.4917 80.9409 -27.9901 165.074 -16.3484 93.1743 108.056 82.8092 -103.326 PRESSAVG: 4822600 -31.1221 40.0988 -19.1551 40.0988 -65.3379 -4.73108 -19.155 -4.73105 58.751 GPRESSAVG: 4822600 -30.0851 39.7211 -20.1128 41.3817 -64.5796 -1.63552 -18.7324 -7.84679 56.8843 TIMING: 4822600 CPU: 14313.4, 0.00292639/step Wall: 14313.4, 0.00292639/step, 0.144206 hours remaining, 209.250000 MB of memory in use. ENERGY: 4822600 751.6825 2105.6210 1911.0469 119.1843 -206268.5082 17693.0973 0.0000 0.0000 34471.8545 -149216.0217 301.0513 -183687.8762 -149124.5301 299.3550 -101.8588 -70.3886 558987.2389 -12.5697 -12.5935 PRESSURE: 4822800 252.522 70.845 -75.6375 70.8461 90.9364 144.928 -75.6359 144.929 63.4302 GPRESSURE: 4822800 241.549 -16.754 -105.876 36.5711 185.321 129.44 -112.556 161.19 84.4663 PRESSAVG: 4822800 60.4012 62.6731 -53.1508 62.6731 -2.63052 15.4387 -53.1507 15.4387 -6.35187 GPRESSAVG: 4822800 60.2143 64.0779 -51.333 61.0141 -2.22579 15.6132 -53.3883 14.081 -6.17015 TIMING: 4822800 CPU: 14314, 0.00291621/step Wall: 14314, 0.00291621/step, 0.143543 hours remaining, 209.250000 MB of memory in use. ENERGY: 4822800 686.0661 2058.9643 1914.4278 103.5829 -206200.8022 17980.0875 0.0000 0.0000 34365.9967 -149091.6768 300.1268 -183457.6736 -148998.9139 299.6670 135.6297 170.4454 557562.5536 17.1396 17.2728 PRESSURE: 4823000 114.827 135.309 27.5786 135.311 -51.301 101.777 27.5788 101.78 197.09 GPRESSURE: 4823000 87.7643 74.777 80.399 221.946 77.1683 94.4935 -39.7937 128.727 206.654 PRESSAVG: 4823000 -48.7327 13.5914 -48.006 13.5914 38.5481 18.4268 -48.006 18.4267 33.4322 GPRESSAVG: 4823000 -48.75 12.4696 -46.4511 16.745 38.5261 16.592 -50.3289 19.4426 33.9005 TIMING: 4823000 CPU: 14314.5, 0.0029439/step Wall: 14314.5, 0.0029439/step, 0.144742 hours remaining, 209.250000 MB of memory in use. ENERGY: 4823000 769.5803 2064.5379 1928.1417 118.2414 -206314.9899 17921.4992 0.0000 0.0000 34333.8478 -149179.1416 299.8460 -183512.9895 -149085.2611 300.3211 86.8720 123.8624 555562.0706 7.7492 7.8922 PRESSURE: 4823200 -133.74 47.5024 -105.594 47.5017 -67.922 -31.1508 -105.594 -31.1511 -125.75 GPRESSURE: 4823200 -106.811 108.062 -107.811 -0.137591 -17.5075 -78.4941 -59.2308 28.4103 -99.9688 PRESSAVG: 4823200 9.52476 21.4036 -47.9331 21.4037 -18.8346 -2.29418 -47.9331 -2.29419 64.4187 GPRESSAVG: 4823200 9.3419 20.8625 -48.6479 21.3824 -19.2961 -2.86063 -46.7855 -3.46993 64.8637 TIMING: 4823200 CPU: 14315.1, 0.00297092/step Wall: 14315.1, 0.00297092/step, 0.145905 hours remaining, 209.250000 MB of memory in use. ENERGY: 4823200 724.5049 2150.3046 1926.2574 111.1006 -206096.8952 17488.6575 0.0000 0.0000 34541.8334 -149154.2367 301.6624 -183696.0701 -149054.0535 299.7616 -109.1372 -74.7623 557240.1111 18.3696 18.3032 PRESSURE: 4823400 -363.907 -134.994 81.0578 -134.994 -103.964 35.7452 81.059 35.7435 -31.7692 GPRESSURE: 4823400 -320.112 -199.722 111.585 -60.0073 -76.7005 -34.2513 110.185 57.3287 -21.3416 PRESSAVG: 4823400 -7.19847 -22.9087 -7.43937 -22.9087 -6.02035 -6.1565 -7.43933 -6.15647 0.765003 GPRESSAVG: 4823400 -7.59873 -20.8557 -8.79913 -24.8101 -5.6182 -4.45049 -4.2414 -4.77162 0.61557 TIMING: 4823400 CPU: 14315.7, 0.00296965/step Wall: 14315.7, 0.00296965/step, 0.145678 hours remaining, 209.250000 MB of memory in use. ENERGY: 4823400 737.7165 2083.2415 1934.5669 115.6567 -206055.0021 17471.0487 0.0000 0.0000 34435.5314 -149277.2404 300.7341 -183712.7718 -149178.5459 299.4635 -166.5468 -139.3848 556775.3477 -4.1513 -4.2005 PRESSURE: 4823600 -82.7859 20.4174 54.7599 20.4163 204.497 -49.2594 54.7601 -49.2597 -215.679 GPRESSURE: 4823600 -54.7425 -42.0573 41.7961 85.2259 219.772 -133.78 37.9195 42.7246 -173.143 PRESSAVG: 4823600 14.9505 10.6219 -10.0903 10.6219 22.6279 -23.4145 -10.0903 -23.4146 -7.00631 GPRESSAVG: 4823600 16.6887 9.15804 -8.55382 12.1777 21.0304 -25.3263 -11.1484 -23.2461 -7.40142 TIMING: 4823600 CPU: 14316.3, 0.00295195/step Wall: 14316.3, 0.00295195/step, 0.144646 hours remaining, 209.250000 MB of memory in use. ENERGY: 4823600 732.7833 2095.1849 1939.1481 124.1997 -206228.3106 17802.2620 0.0000 0.0000 34249.5868 -149285.1458 299.1102 -183534.7326 -149188.6731 299.8443 -31.3227 -2.7048 555694.3475 10.1907 10.1059 PRESSURE: 4823800 76.8481 -89.6011 27.075 -89.5998 -110.309 -183.28 27.0745 -183.279 -99.9636 GPRESSURE: 4823800 72.1689 -151.582 -2.70511 -130.023 -106.34 -142.173 94.3157 -135.151 7.53844 PRESSAVG: 4823800 28.3998 -6.53987 -11.3185 -6.53992 59.7891 6.04005 -11.3184 6.04002 -71.4633 GPRESSAVG: 4823800 27.1894 -5.21782 -11.8744 -6.95487 61.4115 6.49088 -12.2795 4.83597 -71.3902 TIMING: 4823800 CPU: 14316.9, 0.00293126/step Wall: 14316.9, 0.00293126/step, 0.143469 hours remaining, 209.250000 MB of memory in use. ENERGY: 4823800 704.4391 2103.5542 1937.5421 111.5222 -206090.5904 17749.8338 0.0000 0.0000 34137.4007 -149346.2983 298.1304 -183483.6990 -149247.6818 299.4574 -44.4748 -8.8775 556926.4681 5.5752 5.7369 PRESSURE: 4824000 -156.22 73.806 -4.92595 73.8054 -150.007 44.7772 -4.92528 44.7759 -125.577 GPRESSURE: 4824000 -103.734 50.6298 -20.4472 128.15 -121.535 1.21223 -66.3085 73.2751 -102.453 PRESSAVG: 4824000 2.1962 -6.62383 24.7131 -6.62378 25.2537 -16.7526 24.7131 -16.7526 -49.6777 GPRESSAVG: 4824000 2.1501 -7.05501 23.0829 -5.12838 24.6156 -15.5184 23.4422 -16.452 -48.9727 TIMING: 4824000 CPU: 14317.5, 0.00292078/step Wall: 14317.5, 0.00292078/step, 0.142794 hours remaining, 209.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4824000 760.9741 2082.9550 1887.9037 114.5568 -205869.3267 17599.6478 0.0000 0.0000 34066.8781 -149356.4112 297.5145 -183423.2893 -149275.2660 298.4507 -143.9346 -109.2403 557939.5167 -7.4093 -7.4023 PRESSURE: 4824200 117.961 53.3256 50.402 53.3262 20.7575 42.1257 50.402 42.1255 35.5242 GPRESSURE: 4824200 88.4483 74.1209 -68.3202 8.48509 87.2278 90.6371 109.847 -25.902 90.1892 PRESSAVG: 4824200 -25.7116 -24.1278 -12.6732 -24.1277 12.3276 -7.33235 -12.6732 -7.33248 54.4161 GPRESSAVG: 4824200 -23.8841 -24.1894 -10.4628 -26.0402 11.6236 -6.62725 -11.8988 -6.50078 53.7025 TIMING: 4824200 CPU: 14318.1, 0.0029405/step Wall: 14318.1, 0.0029405/step, 0.143595 hours remaining, 209.250000 MB of memory in use. ENERGY: 4824200 734.3746 2118.9125 1914.3258 103.9388 -206486.5793 17919.7438 0.0000 0.0000 34327.0893 -149368.1944 299.7870 -183695.2837 -149268.7632 299.5319 58.0810 88.6218 555849.9969 13.6774 13.8140 LDB: ============= START OF LOAD BALANCING ============== 14321.6 LDB: ============== END OF LOAD BALANCING =============== 14321.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14321.6 LDB: ============= START OF LOAD BALANCING ============== 14321.9 LDB: Largest compute 4801 load 0.022419 is 19.0% of average load 0.118217 LDB: Average compute 0.001706 is 1.4% of average load 0.118217 LDB: TIME 14321.9 LOAD: AVG 0.118217 MAX 0.196644 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.055 MB LDB: TIME 14321.9 LOAD: AVG 0.118217 MAX 0.196644 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.059 MB LDB: TIME 14321.9 LOAD: AVG 0.118217 MAX 0.196644 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.059 MB LDB: ============== END OF LOAD BALANCING =============== 14321.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14321.9 PRESSURE: 4824400 136.714 89.7534 62.6312 89.7527 364.394 -193.556 62.6298 -193.556 -53.2486 GPRESSURE: 4824400 181.401 169.841 60.5128 88.8124 393.882 -94.5506 51.3606 -272.068 -30.606 PRESSAVG: 4824400 -7.08874 27.8899 27.03 27.8899 -25.1274 -2.35096 27.0299 -2.35096 35.5935 GPRESSAVG: 4824400 -8.50195 26.5568 26.2555 28.5323 -24.3886 -3.20683 27.1297 -3.95505 36.4086 TIMING: 4824400 CPU: 14318.7, 0.002973/step Wall: 14318.7, 0.002973/step, 0.145016 hours remaining, 209.753906 MB of memory in use. ENERGY: 4824400 743.2744 2089.3556 1933.2829 113.0264 -206472.8692 18063.5697 0.0000 0.0000 34211.1036 -149319.2564 298.7741 -183530.3600 -149221.8450 299.5279 149.2863 181.5591 558540.1594 1.1258 1.1727 PRESSURE: 4824600 -101.433 -100.815 -5.14275 -100.814 -248.639 -193.139 -5.14198 -193.139 -0.885168 GPRESSURE: 4824600 -39.6856 -108.162 0.749091 -221.882 -239.926 -192.393 -43.1381 -129.378 32.4011 PRESSAVG: 4824600 16.4851 18.1636 5.53903 18.1636 0.0901159 -26.5432 5.53903 -26.5431 32.3054 GPRESSAVG: 4824600 16.7672 19.5805 6.13674 19.03 0.987465 -26.8757 6.63846 -25.2634 32.0267 TIMING: 4824600 CPU: 14319.3, 0.00294772/step Wall: 14319.3, 0.00294772/step, 0.143619 hours remaining, 209.753906 MB of memory in use. ENERGY: 4824600 758.7066 2093.2568 1911.4647 113.7618 -205653.6518 17527.4306 0.0000 0.0000 34157.8805 -149091.1508 298.3093 -183249.0314 -148999.5131 299.1654 -116.9856 -82.4036 558799.0782 16.2936 16.5938 PRESSURE: 4824800 -98.1692 -2.90729 148.842 -2.90755 86.991 -29.7846 148.841 -29.7849 -398.286 GPRESSURE: 4824800 -40.952 29.1017 78.8649 -79.3459 75.8323 15.7996 174.163 -110.749 -351.287 PRESSAVG: 4824800 32.0602 -42.1656 60.9033 -42.1656 -18.158 -44.8508 60.9032 -44.8507 -5.77428 GPRESSAVG: 4824800 31.5804 -40.9839 60.4741 -44.5208 -18.3561 -45.0212 61.6296 -45.8835 -5.66057 TIMING: 4824800 CPU: 14319.9, 0.00297807/step Wall: 14319.9, 0.00297807/step, 0.144933 hours remaining, 209.753906 MB of memory in use. ENERGY: 4824800 757.8149 2152.8695 1923.4859 128.4370 -205820.7067 17459.5999 0.0000 0.0000 34314.3386 -149084.1609 299.6757 -183398.4995 -148993.9059 299.2483 -136.4880 -105.4689 557912.3404 2.7093 2.5212 PRESSURE: 4825000 1.08315 32.1667 -109.472 32.1664 -135.517 5.03042 -109.471 5.03 -90.7887 GPRESSURE: 4825000 -12.7191 87.2111 -105.536 33.4974 -87.9243 -21.3699 -17.1839 32.9107 -22.9124 PRESSAVG: 4825000 88.8569 8.34406 66.4642 8.34403 -27.8264 -19.1236 66.4641 -19.1236 -22.879 GPRESSAVG: 4825000 89.3737 9.56504 65.0699 7.09401 -27.2289 -19.1992 65.4916 -17.3815 -23.6466 TIMING: 4825000 CPU: 14320.4, 0.00293458/step Wall: 14320.4, 0.00293459/step, 0.142653 hours remaining, 209.753906 MB of memory in use. ENERGY: 4825000 727.8994 2098.6410 1920.9696 121.3065 -205908.1796 17674.8766 0.0000 0.0000 34358.4945 -149005.9921 300.0613 -183364.4865 -148910.2806 300.0053 -75.0743 -41.1852 557926.6557 12.7172 12.8328 PRESSURE: 4825200 -8.41302 56.4561 35.4882 56.4549 -458.485 -147.738 35.4868 -147.737 -238.818 GPRESSURE: 4825200 -27.5331 -71.4112 54.2457 91.3613 -418.858 -161.701 33.6431 -217.891 -153.139 PRESSAVG: 4825200 3.46708 -8.67666 6.54722 -8.67655 -14.6702 -14.939 6.54724 -14.939 23.0498 GPRESSAVG: 4825200 2.93198 -11.2029 7.3034 -6.86269 -15.3268 -16.7928 6.46226 -16.9136 24.3753 TIMING: 4825200 CPU: 14321, 0.00290711/step Wall: 14321, 0.00290711/step, 0.141156 hours remaining, 210.011719 MB of memory in use. ENERGY: 4825200 770.2987 2078.1872 1918.4899 115.7526 -206123.6590 17517.7637 0.0000 0.0000 34454.8836 -149268.2833 300.9031 -183723.1669 -149170.8202 300.2586 -235.2387 -199.8434 559744.6625 3.9489 3.9935 PRESSURE: 4825400 -82.5696 20.5271 30.6612 20.527 -125.125 -11.9626 30.6607 -11.9629 -221.055 GPRESSURE: 4825400 -39.0743 20.2741 113.011 4.31726 -83.3711 -16.3468 3.25118 9.63438 -199.382 PRESSAVG: 4825400 28.7527 -21.088 -11.4059 -21.0879 3.3721 -60.8646 -11.406 -60.8646 -30.9057 GPRESSAVG: 4825400 28.4771 -20.9543 -11.5282 -21.6871 4.36536 -60.7182 -12.3306 -58.834 -31.6604 TIMING: 4825400 CPU: 14321.6, 0.00290843/step Wall: 14321.6, 0.00290843/step, 0.141059 hours remaining, 210.011719 MB of memory in use. ENERGY: 4825400 786.9896 2105.1094 1912.2568 105.5342 -205988.6315 17630.8402 0.0000 0.0000 34274.0955 -149173.8058 299.3242 -183447.9013 -149077.3420 299.5278 -142.9166 -107.2757 558777.6061 0.4064 0.3940 PRESSURE: 4825600 -41.8324 15.2928 -94.9309 15.2927 -108.191 -77.9309 -94.9309 -77.9299 97.9293 GPRESSURE: 4825600 -9.71577 61.1885 -35.1478 11.5617 -4.31019 -88.3526 -35.1603 -6.20967 67.9416 PRESSAVG: 4825600 17.7555 5.12918 -33.9841 5.12916 -9.02386 3.9904 -33.9841 3.99046 19.7495 GPRESSAVG: 4825600 18.5876 5.94861 -33.0692 7.25307 -9.15096 5.95201 -33.5793 2.16085 19.3825 TIMING: 4825600 CPU: 14322.2, 0.00290578/step Wall: 14322.2, 0.00290578/step, 0.140769 hours remaining, 210.011719 MB of memory in use. ENERGY: 4825600 795.4703 2132.7172 1915.8697 112.8820 -206517.3936 17994.3899 0.0000 0.0000 34572.9925 -148993.0720 301.9345 -183566.0645 -148899.8798 300.4233 -17.3647 17.9719 558010.2476 9.4937 9.6064 PRESSURE: 4825800 356.995 -63.9617 135.575 -63.9624 129.719 -79.5003 135.573 -79.5026 310.041 GPRESSURE: 4825800 408.664 8.8571 111.079 -119.831 141.817 -52.2176 176.079 18.1795 330.096 PRESSAVG: 4825800 -12.6363 -27.7363 -25.6197 -27.7363 -33.7577 9.30398 -25.6197 9.30385 99.9824 GPRESSAVG: 4825800 -12.2124 -28.9361 -27.3328 -28.8421 -35.3338 6.78542 -25.6356 11.2442 100.963 TIMING: 4825800 CPU: 14322.8, 0.00290924/step Wall: 14322.8, 0.00290924/step, 0.140775 hours remaining, 210.011719 MB of memory in use. ENERGY: 4825800 708.9021 2126.8384 1920.5734 98.8565 -206361.7608 18052.7293 0.0000 0.0000 34408.3067 -149045.5544 300.4963 -183453.8611 -148944.0078 300.5995 265.5849 293.5256 557220.0194 17.8628 17.8055 PRESSURE: 4826000 40.5551 54.9457 -96.5548 54.9452 -177.269 85.3742 -96.5551 85.3738 97.9914 GPRESSURE: 4826000 122.384 123.755 -86.9329 -39.5175 -204.145 115.863 -95.914 77.8754 143.083 PRESSAVG: 4826000 -2.50675 -5.68423 17.7573 -5.68431 -25.0035 -56.9876 17.7572 -56.9875 -8.95089 GPRESSAVG: 4826000 -1.95043 -3.59345 19.6448 -5.22614 -23.6953 -54.472 17.4709 -59.0505 -10.4704 TIMING: 4826000 CPU: 14323.4, 0.00292629/step Wall: 14323.4, 0.00292629/step, 0.141437 hours remaining, 210.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4826000 725.1387 2089.8798 1938.2608 113.6889 -206115.4499 17696.4346 0.0000 0.0000 34454.5153 -149097.5319 300.8999 -183552.0472 -148999.4999 300.0507 -12.9075 20.4407 557928.0499 -12.1537 -12.0387 PRESSURE: 4826200 32.846 133.432 6.688 133.433 -140.371 56.3676 6.68852 56.3689 62.5587 GPRESSURE: 4826200 65.3176 202.435 -12.6164 114.224 -114.103 53.6469 -131.719 64.4756 114.106 PRESSAVG: 4826200 31.7048 8.73844 56.4604 8.73842 -40.952 35.7302 56.4603 35.7303 -1.86463 GPRESSAVG: 4826200 31.4679 6.97452 57.817 11.6786 -42.4549 33.0469 55.9535 36.1362 -0.617768 TIMING: 4826200 CPU: 14324, 0.00296191/step Wall: 14324, 0.00296191/step, 0.142995 hours remaining, 210.011719 MB of memory in use. ENERGY: 4826200 725.8760 2065.3092 1933.9179 116.6011 -205968.8361 17689.5661 0.0000 0.0000 34288.3366 -149149.2293 299.4486 -183437.5659 -149047.5564 299.6861 -14.9889 21.7736 558203.2926 -3.7039 -3.8683 PRESSURE: 4826400 -412.335 53.6402 18.6389 53.6404 -392.627 -59.6135 18.6392 -59.6128 -29.9531 GPRESSURE: 4826400 -350.826 40.0621 39.2538 78.6374 -355.779 -82.1254 -76.8252 -85.1758 -32.4379 PRESSAVG: 4826400 18.9285 2.40774 -5.45654 2.40774 -27.9809 82.0005 -5.45647 82.0005 14.6107 GPRESSAVG: 4826400 18.0978 4.82739 -6.67752 -1.92535 -26.7373 82.8634 -5.95364 81.9567 14.0505 TIMING: 4826400 CPU: 14324.5, 0.00294123/step Wall: 14324.5, 0.00294123/step, 0.141832 hours remaining, 210.011719 MB of memory in use. ENERGY: 4826400 724.8225 2041.5967 1923.2763 113.4478 -205708.9189 17495.3517 0.0000 0.0000 34175.5247 -149234.8993 298.4634 -183410.4240 -149138.1889 298.8218 -278.3052 -246.3477 559652.7164 1.8528 1.8036 PRESSURE: 4826600 -45.3427 144.212 86.9836 144.211 -81.938 119.996 86.9847 119.996 -114.888 GPRESSURE: 4826600 -13.1364 125.947 77.3804 24.053 -71.9167 26.1146 58.4751 122.673 -54.752 PRESSAVG: 4826600 -86.2143 28.8968 40.2711 28.8967 10.5481 4.24801 40.2711 4.24807 77.2783 GPRESSAVG: 4826600 -85.8932 28.1413 38.8577 29.4464 10.2322 3.61649 41.9408 5.2201 77.7647 TIMING: 4826600 CPU: 14325.1, 0.00296976/step Wall: 14325.1, 0.00296976/step, 0.143044 hours remaining, 210.011719 MB of memory in use. ENERGY: 4826600 703.1812 2056.5873 1907.8141 117.4879 -205940.4913 17637.1619 0.0000 0.0000 34403.3560 -149114.9029 300.4531 -183518.2589 -149027.3983 298.8879 -80.7230 -46.6017 558722.0203 0.5374 0.7012 PRESSURE: 4826800 232.576 81.1339 -70.0842 81.1329 -132.702 -7.28762 -70.0839 -7.28714 -10.5299 GPRESSURE: 4826800 270.165 40.8157 -83.867 91.8391 -100.171 90.3628 -99.2092 -47.0342 5.28635 PRESSAVG: 4826800 -68.1434 7.67342 36.451 7.67338 33.3428 -8.82218 36.4511 -8.8222 -22.0522 GPRESSAVG: 4826800 -67.0811 8.98697 38.0189 5.16522 32.2553 -8.38547 34.9432 -10.5168 -21.4417 TIMING: 4826800 CPU: 14325.7, 0.00295396/step Wall: 14325.7, 0.00295396/step, 0.142118 hours remaining, 210.011719 MB of memory in use. ENERGY: 4826800 766.5145 2134.6691 1903.2609 108.8528 -206134.4898 17883.6427 0.0000 0.0000 34157.5639 -149179.9859 298.3065 -183337.5498 -149081.3221 299.0392 29.7814 58.4266 557663.6301 -18.9509 -18.7559 PRESSURE: 4827000 -45.1668 195.637 -24.4101 195.637 -7.0297 118.743 -24.41 118.743 -85.7734 GPRESSURE: 4827000 25.5076 232.283 18.0876 154.038 -24.8489 87.3461 58.1124 161.485 -30.2157 PRESSAVG: 4827000 63.2437 -9.31264 -31.4009 -9.31268 -0.768941 0.243505 -31.401 0.243452 -78.8374 GPRESSAVG: 4827000 62.5825 -11.4731 -31.9249 -6.97846 0.942381 1.67674 -32.022 0.969368 -79.3514 TIMING: 4827000 CPU: 14326.3, 0.00294608/step Wall: 14326.3, 0.00294608/step, 0.141575 hours remaining, 210.011719 MB of memory in use. ENERGY: 4827000 729.4006 2039.0425 1921.7270 120.7690 -206289.4257 17784.7719 0.0000 0.0000 34539.3717 -149154.3429 301.6409 -183693.7146 -149062.7547 299.2335 -45.9900 -9.8523 558020.2752 -5.4542 -5.2755 PRESSURE: 4827200 108.756 -95.3898 -51.4935 -95.3901 225.903 16.5145 -51.4937 16.5145 -23.3081 GPRESSURE: 4827200 148.091 -13.85 -97.9331 -164.605 239.778 24.5815 31.7881 -17.0906 13.1732 PRESSAVG: 4827200 94.1773 38.6015 8.52577 38.6015 -37.1672 63.2845 8.52584 63.2844 -78.3637 GPRESSAVG: 4827200 95.6731 37.6994 7.03624 38.2365 -38.6352 60.9596 11.3582 63.7282 -78.0033 TIMING: 4827200 CPU: 14326.9, 0.00296789/step Wall: 14326.9, 0.00296789/step, 0.142459 hours remaining, 210.011719 MB of memory in use. ENERGY: 4827200 719.3802 2146.6952 1922.8155 105.7875 -206292.9061 17987.9484 0.0000 0.0000 34124.3760 -149285.9033 298.0167 -183410.2792 -149194.9317 299.0309 103.7837 133.6807 559032.3707 -7.1179 -6.9885 PRESSURE: 4827400 -99.7538 -42.538 -74.4243 -42.5373 -34.9937 -53.8327 -74.4251 -53.8325 17.6898 GPRESSURE: 4827400 14.8531 -79.9169 -62.2009 7.0295 -55.6126 -54.3948 -27.34 14.8554 27.1006 PRESSAVG: 4827400 58.1253 -26.6685 -59.7805 -26.6685 13.6023 -1.83145 -59.7805 -1.83152 -37.9895 GPRESSAVG: 4827400 58.8309 -23.9566 -58.7983 -24.368 13.4864 0.74911 -61.8305 -2.96758 -39.678 TIMING: 4827400 CPU: 14327.5, 0.0029518/step Wall: 14327.5, 0.0029518/step, 0.141523 hours remaining, 210.011719 MB of memory in use. ENERGY: 4827400 769.8655 2080.1196 1905.4284 114.8868 -206109.5759 17793.1378 0.0000 0.0000 34077.6732 -149368.4646 297.6088 -183446.1378 -149270.7591 298.2750 -39.0192 -4.5530 557594.9358 11.2461 10.8798 PRESSURE: 4827600 3.74091 -99.5139 -85.1931 -99.5139 152.655 -118.448 -85.1926 -118.449 -67.0479 GPRESSURE: 4827600 50.8851 -186.667 -106.98 -149.221 153.815 -150.423 -64.5905 -166.782 -12.8492 PRESSAVG: 4827600 84.1657 -30.3261 -23.53 -30.3262 -14.3117 -40.5539 -23.5301 -40.5539 -12.4981 GPRESSAVG: 4827600 83.0195 -33.2022 -24.1219 -31.1984 -12.5762 -43.2706 -23.7261 -38.5887 -12.8015 TIMING: 4827600 CPU: 14328.1, 0.00296505/step Wall: 14328.1, 0.00296505/step, 0.141993 hours remaining, 210.011719 MB of memory in use. ENERGY: 4827600 754.3260 2075.0553 1877.5780 122.2732 -206091.6543 17922.3197 0.0000 0.0000 34017.3131 -149322.7889 297.0817 -183340.1019 -149222.5325 298.7925 29.7825 63.9503 557868.3665 19.1186 19.2139 PRESSURE: 4827800 -184.697 21.3642 168.568 21.3641 58.3746 52.8025 168.569 52.8028 17.5022 GPRESSURE: 4827800 -74.5438 68.9907 66.0891 16.0492 64.474 -9.12338 181.318 72.5371 -1.08873 PRESSAVG: 4827800 2.75254 -25.1154 -28.3568 -25.1154 42.0175 -5.37396 -28.3568 -5.3738 -31.1843 GPRESSAVG: 4827800 2.15241 -23.7592 -27.71 -27.428 40.7056 -4.43612 -27.4329 -4.99757 -29.4032 TIMING: 4827800 CPU: 14328.7, 0.00291347/step Wall: 14328.7, 0.00291347/step, 0.139361 hours remaining, 210.011719 MB of memory in use. ENERGY: 4827800 759.8595 2100.1869 1878.9847 117.3814 -206350.3139 17893.4231 0.0000 0.0000 34399.9739 -149200.5042 300.4235 -183600.4782 -149100.4948 299.5059 -36.2734 -3.7195 557992.1064 4.5286 4.4849 PRESSURE: 4828000 229.99 54.5358 14.5643 54.536 -192.375 232.495 14.5644 232.495 -263.796 GPRESSURE: 4828000 249.739 72.0505 -33.1938 -24.7678 -168.255 211.786 20.8402 244.741 -201.547 PRESSAVG: 4828000 -25.2532 24.0497 -7.83711 24.0497 -8.57615 7.63442 -7.83704 7.63438 25.7142 GPRESSAVG: 4828000 -26.1944 23.6691 -8.14953 25.6136 -7.68531 5.57541 -9.02996 6.76219 25.4381 TIMING: 4828000 CPU: 14329.3, 0.00294192/step Wall: 14329.3, 0.00294192/step, 0.140558 hours remaining, 210.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4828000 754.2893 2103.7042 1922.6121 122.0135 -205979.2459 17717.3166 0.0000 0.0000 34117.9395 -149241.3706 297.9605 -183359.3101 -149150.5726 299.8628 -75.3936 -40.0209 558104.7102 -2.7051 -2.8139 PRESSURE: 4828200 -41.4575 -117.769 -147.655 -117.768 115.918 179.041 -147.655 179.041 62.7286 GPRESSURE: 4828200 -6.13549 -138.474 -192.803 -114.002 121.654 148.701 -37.8395 254.406 132.586 PRESSAVG: 4828200 -1.90632 33.2467 11.7903 33.2466 -14.9551 1.83516 11.7903 1.83524 5.73437 GPRESSAVG: 4828200 -1.6193 32.6354 12.7689 33.1822 -15.2674 2.91767 13.1885 2.33495 5.92127 TIMING: 4828200 CPU: 14329.8, 0.00291749/step Wall: 14329.8, 0.00291749/step, 0.139229 hours remaining, 210.011719 MB of memory in use. ENERGY: 4828200 745.9117 2076.7837 1921.5755 113.8039 -206363.6655 17972.2140 0.0000 0.0000 34423.4589 -149109.9179 300.6286 -183533.3767 -149012.9096 299.7096 45.7298 82.7015 557736.1567 -3.7090 -3.6551 LDB: ============= START OF LOAD BALANCING ============== 14333.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14333.4 LDB: =============== DONE WITH MIGRATION ================ 14333.4 LDB: ============= START OF LOAD BALANCING ============== 14333.7 LDB: Largest compute 4801 load 0.023445 is 19.8% of average load 0.118293 LDB: Average compute 0.001708 is 1.4% of average load 0.118293 LDB: TIME 14333.7 LOAD: AVG 0.118293 MAX 0.196341 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.637 MB LDB: TIME 14333.7 LOAD: AVG 0.118293 MAX 0.196341 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.637 MB LDB: TIME 14333.7 LOAD: AVG 0.118293 MAX 0.196341 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.637 MB LDB: ============== END OF LOAD BALANCING =============== 14333.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14333.7 PRESSURE: 4828400 -6.35376 -114.945 -128.556 -114.943 196.167 45.5305 -128.555 45.53 -235.88 GPRESSURE: 4828400 40.4028 -221.444 -159.741 -27.5818 216.877 12.9267 -90.8592 13.5134 -212.267 PRESSAVG: 4828400 38.6427 35.3855 34.5462 35.3855 -32.5787 -32.1238 34.5462 -32.1237 -49.6094 GPRESSAVG: 4828400 39.1758 36.0926 36.4655 34.2367 -33.3267 -31.3562 33.8081 -31.678 -50.0313 TIMING: 4828400 CPU: 14330.4, 0.00298815/step Wall: 14330.4, 0.00298815/step, 0.142435 hours remaining, 209.062500 MB of memory in use. ENERGY: 4828400 760.4312 2064.5416 1931.4197 108.9950 -206022.2394 17742.7103 0.0000 0.0000 34335.0928 -149079.0488 299.8569 -183414.1415 -148985.9171 300.0036 -15.3554 15.0040 556252.7218 -14.5151 -14.7274 PRESSURE: 4828600 -54.8946 -70.7775 -20.5712 -70.7763 -90.8757 75.1043 -20.5714 75.1075 -259.511 GPRESSURE: 4828600 -40.8864 -122.208 -15.6482 -9.27487 -49.2148 103.446 -70.9868 -41.673 -209.358 PRESSAVG: 4828600 -10.693 24.1266 -27.5799 24.1266 -1.13808 33.6391 -27.5799 33.6392 41.7927 GPRESSAVG: 4828600 -10.6846 25.1444 -27.9821 23.205 -0.833427 35.0028 -27.1991 31.8002 41.665 TIMING: 4828600 CPU: 14331, 0.00291121/step Wall: 14331, 0.00291121/step, 0.138606 hours remaining, 209.062500 MB of memory in use. ENERGY: 4828600 735.7009 2108.4415 1919.9474 115.5240 -205999.7126 17656.2461 0.0000 0.0000 34437.0839 -149026.7687 300.7476 -183463.8526 -148935.4525 300.0496 -135.0939 -99.8198 557797.8407 9.9872 10.0490 PRESSURE: 4828800 -76.9114 -110.845 -7.22745 -110.843 -8.48038 88.6337 -7.22909 88.6342 129.154 GPRESSURE: 4828800 -48.7564 -95.5979 -34.6215 -168.095 7.67557 3.32252 0.507399 77.1252 187.187 PRESSAVG: 4828800 33.286 -40.2855 9.97373 -40.2855 -49.4995 12.9192 9.97374 12.9191 31.7946 GPRESSAVG: 4828800 33.3074 -41.6541 9.07086 -37.7566 -49.3716 10.625 9.19801 14.0098 31.6244 TIMING: 4828800 CPU: 14331.6, 0.00291836/step Wall: 14331.6, 0.00291836/step, 0.138784 hours remaining, 209.062500 MB of memory in use. ENERGY: 4828800 734.0367 2074.0466 1940.9845 109.0515 -205967.2906 17720.7223 0.0000 0.0000 34287.9747 -149100.4742 299.4454 -183388.4490 -148999.6991 300.0670 14.5873 48.7020 558441.6819 5.1937 5.1867 PRESSURE: 4829000 -362.989 233.67 -6.99621 233.668 -34.7367 74.1039 -6.99482 74.1047 0.316461 GPRESSURE: 4829000 -334.044 229.924 -24.3856 163.247 -7.23424 83.0799 29.6444 163.156 26.3912 PRESSAVG: 4829000 15.991 33.4553 30.0908 33.4554 -51.6553 -20.4367 30.0908 -20.4367 27.9854 GPRESSAVG: 4829000 17.4429 33.3085 31.381 32.48 -52.7129 -19.2201 30.4548 -21.8808 27.2701 TIMING: 4829000 CPU: 14332.2, 0.00292712/step Wall: 14332.2, 0.00292712/step, 0.139038 hours remaining, 209.062500 MB of memory in use. ENERGY: 4829000 717.0288 2049.8168 1943.6406 104.2411 -205967.0917 17693.6368 0.0000 0.0000 34270.7909 -149187.9367 299.2953 -183458.7275 -149084.8515 299.5087 -132.4697 -104.9624 557903.6889 -2.5596 -2.6666 PRESSURE: 4829200 -187.778 18.5451 2.11319 18.5463 -141.061 213.291 2.11327 213.292 -178.348 GPRESSURE: 4829200 -144.237 11.2933 -82.3551 66.8508 -91.9764 198.666 61.9408 160.885 -161.054 PRESSAVG: 4829200 -3.35425 27.6111 45.91 27.611 -19.4023 27.4051 45.91 27.4052 68.9346 GPRESSAVG: 4829200 -5.74911 26.8319 44.6311 28.6569 -19.414 28.2125 46.8054 27.1782 71.1529 TIMING: 4829200 CPU: 14332.8, 0.00296322/step Wall: 14332.8, 0.00296322/step, 0.140588 hours remaining, 209.062500 MB of memory in use. ENERGY: 4829200 756.5183 2039.7978 1910.6178 99.2665 -206126.1297 17713.4332 0.0000 0.0000 34437.1670 -149169.3292 300.7483 -183606.4961 -149079.1248 299.8203 -169.0623 -132.4224 558295.3425 15.3927 15.3299 PRESSURE: 4829400 -93.5057 -83.6979 166.351 -83.6977 -63.3422 61.1963 166.351 61.1965 -5.95787 GPRESSURE: 4829400 -7.01638 -111.922 151.424 -56.2892 -101.856 149.253 164.848 3.53001 36.2766 PRESSAVG: 4829400 -30.9346 -3.58339 -26.72 -3.58343 4.87788 8.94384 -26.7201 8.94385 8.81436 GPRESSAVG: 4829400 -30.3902 -3.8041 -26.5515 -4.48996 6.1152 9.45928 -26.7346 9.96622 6.81703 TIMING: 4829400 CPU: 14333.4, 0.00295892/step Wall: 14333.4, 0.00295892/step, 0.14022 hours remaining, 209.062500 MB of memory in use. ENERGY: 4829400 700.2142 2052.5560 1915.4686 110.1067 -205778.9108 17613.0487 0.0000 0.0000 34157.7167 -149229.7999 298.3078 -183387.5166 -149140.0043 299.2130 -54.2686 -24.1985 558414.4064 -5.7475 -5.8193 PRESSURE: 4829600 -12.6004 83.2254 -169.966 83.2255 -307.971 76.9229 -169.964 76.9225 -326.167 GPRESSURE: 4829600 -22.7077 18.9616 -116.178 214.781 -245.1 96.2955 -268.522 76.6308 -272.276 PRESSAVG: 4829600 -0.547663 6.57593 21.4314 6.57591 23.5966 -1.10774 21.4314 -1.10772 -15.4304 GPRESSAVG: 4829600 -0.0686486 7.60043 20.4704 6.48023 22.498 -3.36338 21.2843 0.510158 -14.9275 TIMING: 4829600 CPU: 14334, 0.00294668/step Wall: 14334, 0.00294668/step, 0.139476 hours remaining, 209.062500 MB of memory in use. ENERGY: 4829600 742.8956 2055.2222 1889.8634 110.9374 -205727.9849 17537.4824 0.0000 0.0000 34349.6424 -149041.9415 299.9840 -183391.5839 -148954.5692 299.5723 -215.5794 -180.0281 559187.8763 2.5395 2.5006 PRESSURE: 4829800 27.7666 18.6466 -49.4245 18.6464 70.8821 -23.5599 -49.4265 -23.5599 6.923 GPRESSURE: 4829800 19.2733 124.043 5.47491 2.12536 102.03 -51.9351 -49.6907 64.2789 87.0434 PRESSAVG: 4829800 60.5602 28.2612 -22.5301 28.2612 11.4511 5.95693 -22.5301 5.95704 -33.3073 GPRESSAVG: 4829800 59.2373 29.0913 -21.9291 27.1003 12.6921 7.35096 -21.5245 6.29794 -32.941 TIMING: 4829800 CPU: 14334.6, 0.00296656/step Wall: 14334.6, 0.00296656/step, 0.140252 hours remaining, 209.062500 MB of memory in use. ENERGY: 4829800 721.0547 2042.9202 1934.3673 110.9744 -205994.6675 17925.1802 0.0000 0.0000 34161.7666 -149098.4041 298.3432 -183260.1708 -149005.6205 299.5630 35.1906 69.4489 557843.2025 12.9013 12.9961 PRESSURE: 4830000 204.478 -61.3688 72.5477 -61.3695 147.879 67.4027 72.5478 67.4021 -181.963 GPRESSURE: 4830000 181.139 1.98815 6.148 -107.017 171.619 49.9891 94.4509 61.2808 -82.7986 PRESSAVG: 4830000 6.67581 6.59537 -31.2092 6.59531 86.8085 36.9658 -31.2093 36.9658 -59.7288 GPRESSAVG: 4830000 7.38497 5.23703 -30.1045 7.15934 86.8475 37.462 -32.5389 36.0356 -60.1817 TIMING: 4830000 CPU: 14335.1, 0.00294337/step Wall: 14335.1, 0.00294337/step, 0.138993 hours remaining, 209.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4830000 714.1558 2119.1615 1938.7985 108.1138 -206419.3644 17878.0840 0.0000 0.0000 34485.4812 -149175.5696 301.1703 -183661.0508 -149071.2834 299.1456 56.7982 89.9865 556912.8080 11.2518 11.3503 PRESSURE: 4830200 -181.047 -67.9108 -36.2071 -67.9102 100.695 -20.0023 -36.2066 -20.0013 -16.5815 GPRESSURE: 4830200 -82.9693 -50.4652 -6.83365 -97.0364 118.28 -46.517 -56.328 -72.4463 -24.3464 PRESSAVG: 4830200 -12.2912 -24.1217 14.4089 -24.1216 10.1394 8.02545 14.4089 8.02557 -29.7743 GPRESSAVG: 4830200 -10.3242 -22.1605 14.4468 -26.1785 9.6358 7.12297 13.3205 7.48977 -31.3775 TIMING: 4830200 CPU: 14335.7, 0.00292349/step Wall: 14335.7, 0.00292349/step, 0.137891 hours remaining, 209.062500 MB of memory in use. ENERGY: 4830200 705.6108 2052.0107 1940.9489 118.1052 -206064.5995 17660.4372 0.0000 0.0000 34382.1380 -149205.3487 300.2678 -183587.4867 -149104.4056 298.3459 -32.3114 3.6549 558703.6553 -10.6421 -10.6886 PRESSURE: 4830400 -78.7225 -106.975 -68.3404 -106.976 -83.7643 85.1961 -68.339 85.1966 -117.204 GPRESSURE: 4830400 -32.4626 -102.661 -102.383 -107.193 -25.5959 64.6004 -47.5196 116.889 -124.138 PRESSAVG: 4830400 22.6779 -13.1834 -33.6784 -13.1833 17.8291 -12.1319 -33.6784 -12.1319 -51.0195 GPRESSAVG: 4830400 20.8493 -12.7225 -34.8254 -11.6517 17.4783 -12.577 -32.2165 -11.5528 -49.1624 TIMING: 4830400 CPU: 14336.3, 0.00292339/step Wall: 14336.3, 0.00292339/step, 0.137724 hours remaining, 209.062500 MB of memory in use. ENERGY: 4830400 709.5764 2046.9711 1940.4634 110.5578 -205758.3722 17562.8374 0.0000 0.0000 34048.2165 -149339.7497 297.3515 -183387.9662 -149251.2675 298.8711 -93.2302 -60.7321 558003.0662 -3.5042 -3.6116 PRESSURE: 4830600 252.439 -113.665 26.7993 -113.664 167.211 -18.7984 26.7991 -18.7978 -176.697 GPRESSURE: 4830600 263.015 -82.1952 56.041 -212.158 212.066 -35.0426 -33.8296 -7.21471 -136.392 PRESSAVG: 4830600 -6.73475 -62.1699 6.40215 -62.1699 97.9177 12.0178 6.40223 12.0179 -110.546 GPRESSAVG: 4830600 -6.52577 -62.367 8.20453 -62.4824 98.4756 11.9618 4.76603 11.7684 -110.81 TIMING: 4830600 CPU: 14336.9, 0.00293269/step Wall: 14336.9, 0.00293269/step, 0.137999 hours remaining, 209.320312 MB of memory in use. ENERGY: 4830600 700.4499 2016.4831 1922.3163 103.4665 -206310.5990 18056.7044 0.0000 0.0000 34234.5602 -149276.6185 298.9789 -183511.1787 -149182.2685 298.2544 80.9843 112.8965 558492.2522 -6.4544 -6.2868 PRESSURE: 4830800 -33.0647 -160.647 69.3447 -160.647 -68.508 98.9877 69.3456 98.988 16.0065 GPRESSURE: 4830800 17.413 -112.65 62.3583 -162.037 -45.717 100.506 54.7692 175.401 21.2429 PRESSAVG: 4830800 -23.0501 -22.3603 -11.2881 -22.3603 49.2911 1.37263 -11.288 1.37259 -72.9123 GPRESSAVG: 4830800 -22.1546 -23.5063 -12.1045 -20.4144 49.0276 2.39928 -10.0406 -1.6169 -73.2173 TIMING: 4830800 CPU: 14337.5, 0.00292583/step Wall: 14337.5, 0.00292583/step, 0.137514 hours remaining, 209.320312 MB of memory in use. ENERGY: 4830800 740.6917 2106.6522 1908.6243 122.9593 -206109.5461 17803.5797 0.0000 0.0000 34122.1517 -149304.8872 297.9972 -183427.0389 -149215.7979 299.0457 -28.5221 -2.3537 558725.3211 -15.5571 -15.4481 PRESSURE: 4831000 175.12 21.8359 77.1296 21.8362 377.95 -264.157 77.1299 -264.158 172.707 GPRESSURE: 4831000 253.1 115.502 42.0451 -98.925 371.789 -362.6 -67.2014 -209.118 204.561 PRESSAVG: 4831000 2.16521 -36.2304 -28.4481 -36.2304 -9.36494 -124.598 -28.4479 -124.598 -15.899 GPRESSAVG: 4831000 2.42535 -37.0882 -29.6899 -37.1121 -10.4914 -126.639 -28.5636 -122.545 -14.8507 TIMING: 4831000 CPU: 14338.1, 0.00292939/step Wall: 14338.1, 0.00292939/step, 0.137518 hours remaining, 209.320312 MB of memory in use. ENERGY: 4831000 714.1190 2114.6835 1947.6861 97.0781 -206634.9924 18325.7261 0.0000 0.0000 34212.6771 -149223.0225 298.7878 -183435.6996 -149127.7521 298.8414 241.9257 276.4831 557918.7138 -7.6996 -7.6389 PRESSURE: 4831200 262.546 -18.9155 12.4958 -18.9154 -17.7589 -103.09 12.4955 -103.09 -24.9027 GPRESSURE: 4831200 250.926 -82.6787 -47.9919 -2.71585 38.0506 -202.426 -127.052 -7.43759 28.2698 PRESSAVG: 4831200 -42.4782 -50.0425 -85.2826 -50.0425 55.8277 -14.5611 -85.2826 -14.5611 -17.389 GPRESSAVG: 4831200 -42.1539 -48.785 -83.5028 -49.5921 56.2578 -10.3682 -85.0406 -15.5705 -18.9231 TIMING: 4831200 CPU: 14338.7, 0.0029179/step Wall: 14338.7, 0.0029179/step, 0.136817 hours remaining, 209.320312 MB of memory in use. ENERGY: 4831200 719.9318 2108.4230 1946.5950 117.6261 -206324.1631 17995.7875 0.0000 0.0000 34211.5306 -149224.2692 298.7778 -183435.7998 -149129.4103 299.4643 73.2950 105.7488 558347.0058 -1.3465 -1.6064 PRESSURE: 4831400 -169.643 -137.072 64.1141 -137.072 -169.323 90.6007 64.1139 90.5996 -175.09 GPRESSURE: 4831400 -82.9758 -155.054 30.4039 -124.052 -157.061 128.904 120.245 12.9726 -175.398 PRESSAVG: 4831400 24.7158 -30.7927 69.6321 -30.7927 -6.45948 56.1808 69.6321 56.1809 18.6923 GPRESSAVG: 4831400 23.7741 -31.9832 70.0205 -31.0755 -6.9186 52.7802 67.5736 57.6708 19.7996 TIMING: 4831400 CPU: 14339.2, 0.00293823/step Wall: 14339.2, 0.00293823/step, 0.137607 hours remaining, 209.320312 MB of memory in use. ENERGY: 4831400 798.9264 2106.9367 1904.0015 101.3976 -205856.6286 17717.3046 0.0000 0.0000 34097.7692 -149130.2925 297.7843 -183228.0617 -149033.3308 299.8337 -171.3518 -138.4780 557908.1937 12.3162 12.2184 PRESSURE: 4831600 9.30796 46.9839 26.6669 46.9833 -123.553 18.0224 26.6673 18.0223 -8.64043 GPRESSURE: 4831600 45.0024 7.83243 23.222 38.768 -92.8933 31.2797 54.798 -2.17054 28.3657 PRESSAVG: 4831600 61.0823 -32.916 19.3211 -32.9161 -46.2783 33.3666 19.3211 33.3665 21.3069 GPRESSAVG: 4831600 60.2947 -36.0948 18.1911 -31.7564 -46.9753 34.2265 20.2093 32.6396 21.6649 TIMING: 4831600 CPU: 14339.8, 0.002941/step Wall: 14339.8, 0.002941/step, 0.137573 hours remaining, 209.320312 MB of memory in use. ENERGY: 4831600 776.7491 2068.7012 1925.0072 105.2761 -205871.5903 17667.2264 0.0000 0.0000 34275.7569 -149052.8734 299.3387 -183328.6304 -148954.6535 299.7530 -40.9620 -6.5084 557560.3286 12.0370 11.6614 PRESSURE: 4831800 64.7066 95.6744 -103.09 95.6755 -8.59737 -148.927 -103.091 -148.928 -272.592 GPRESSURE: 4831800 77.7864 88.1786 -139.629 110.247 50.3124 -108.586 -85.8433 -217.896 -252.325 PRESSAVG: 4831800 87.3761 45.205 16.9447 45.205 -30.9705 -19.6812 16.9447 -19.6812 -44.3088 GPRESSAVG: 4831800 87.0483 47.2887 16.7015 43.879 -29.4707 -20.2216 17.645 -19.2055 -45.3334 TIMING: 4831800 CPU: 14340.4, 0.00291804/step Wall: 14340.4, 0.00291804/step, 0.136337 hours remaining, 209.320312 MB of memory in use. ENERGY: 4831800 756.5426 2135.4595 1971.9988 109.4704 -206487.3650 17966.1873 0.0000 0.0000 34517.9572 -149029.7492 301.4539 -183547.7064 -148932.7253 300.6798 -72.1608 -41.4089 558109.0751 4.0323 4.0814 PRESSURE: 4832000 -148.398 -78.6566 19.934 -78.656 169.077 28.2284 19.9335 28.2287 -111.609 GPRESSURE: 4832000 -100.943 -110.629 1.2048 -41.73 151.265 69.7807 -1.52354 18.7446 -63.2732 PRESSAVG: 4832000 53.8335 -44.4561 24.4834 -44.4562 10.6979 14.8586 24.4834 14.8586 -56.0774 GPRESSAVG: 4832000 54.7998 -44.6161 25.1249 -42.2649 10.3014 14.6253 22.3421 17.0485 -56.9005 TIMING: 4832000 CPU: 14341, 0.00290862/step Wall: 14341, 0.00290862/step, 0.135735 hours remaining, 209.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4832000 758.0240 2119.7830 1919.5656 118.5969 -205981.8109 17641.5239 0.0000 0.0000 34364.9924 -149059.3252 300.1180 -183424.3176 -148966.2226 300.3187 -30.3099 -4.3171 557289.9994 2.8180 2.7336 PRESSURE: 4832200 -45.2117 41.3199 -216.264 41.3197 102.32 10.5969 -216.263 10.5966 -218.792 GPRESSURE: 4832200 -66.7461 91.1727 -249.418 50.6565 121.145 -2.3306 -282.34 -41.1412 -119.494 PRESSAVG: 4832200 19.0274 -13.6858 -26.4726 -13.6858 10.9206 16.1749 -26.4727 16.1748 14.0248 GPRESSAVG: 4832200 18.1324 -14.109 -27.4916 -14.352 10.8065 15.9421 -25.0082 13.0634 14.9696 TIMING: 4832200 CPU: 14341.6, 0.00292527/step Wall: 14341.6, 0.00292527/step, 0.13635 hours remaining, 209.320312 MB of memory in use. ENERGY: 4832200 720.9353 2072.6641 1922.6995 112.2346 -205804.7711 17681.0157 0.0000 0.0000 34289.4645 -149005.7574 299.4584 -183295.2220 -148901.8162 299.5291 -53.8946 -21.6986 556778.1805 14.6576 14.6362 LDB: ============= START OF LOAD BALANCING ============== 14345.1 LDB: ============== END OF LOAD BALANCING =============== 14345.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14345.1 LDB: ============= START OF LOAD BALANCING ============== 14345.4 LDB: Largest compute 4801 load 0.023006 is 19.4% of average load 0.118303 LDB: Average compute 0.001711 is 1.4% of average load 0.118303 LDB: TIME 14345.4 LOAD: AVG 0.118303 MAX 0.195143 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.062 MB LDB: TIME 14345.4 LOAD: AVG 0.118303 MAX 0.195143 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: TIME 14345.4 LOAD: AVG 0.118303 MAX 0.195143 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: ============== END OF LOAD BALANCING =============== 14345.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14345.4 PRESSURE: 4832400 -3.79018 143.145 99.6984 143.145 24.8939 94.0829 99.6986 94.084 340.116 GPRESSURE: 4832400 51.4478 165.48 -1.05118 109.407 61.1401 50.3571 125.529 69.0664 346.802 PRESSAVG: 4832400 -6.61205 11.4287 8.30604 11.4288 -21.4141 -24.0985 8.306 -24.0985 71.4282 GPRESSAVG: 4832400 -5.14098 11.6332 8.18483 10.781 -22.7905 -24.0546 10.5717 -21.3845 71.0778 TIMING: 4832400 CPU: 14342.2, 0.0029715/step Wall: 14342.2, 0.0029715/step, 0.13834 hours remaining, 209.894531 MB of memory in use. ENERGY: 4832400 733.4523 2116.7677 1913.5635 109.5726 -206343.4298 17874.3056 0.0000 0.0000 34516.8099 -149078.9581 301.4439 -183595.7680 -148979.0421 299.7430 120.4067 153.1300 556125.9642 14.4674 14.3821 PRESSURE: 4832600 -223.856 -9.76114 3.52985 -9.76133 -2.82906 -29.5991 3.52916 -29.5977 -85.3829 GPRESSURE: 4832600 -206.371 -109.613 48.9389 -97.7789 48.4025 13.521 -20.8187 11.2998 -70.5876 PRESSAVG: 4832600 -29.2763 -6.28188 62.5645 -6.28192 -49.9332 7.84397 62.5645 7.844 63.1575 GPRESSAVG: 4832600 -31.466 -6.41799 61.3345 -5.22496 -47.7187 8.81085 62.6087 5.19414 63.2842 TIMING: 4832600 CPU: 14342.8, 0.00291275/step Wall: 14342.8, 0.00291275/step, 0.135443 hours remaining, 209.960938 MB of memory in use. ENERGY: 4832600 739.0470 2107.0876 1930.6812 105.5578 -205814.3408 17483.4522 0.0000 0.0000 34400.3976 -149048.1175 300.4272 -183448.5150 -148953.2496 299.6374 -104.0225 -76.1854 558598.0249 -5.3507 -5.3002 PRESSURE: 4832800 -93.645 90.1224 199.781 90.1218 -176.951 14.6659 199.78 14.6658 1.37799 GPRESSURE: 4832800 -38.7431 3.39695 263.635 157.283 -147.005 47.1652 189.553 132.321 30.0176 PRESSAVG: 4832800 -45.5782 -44.792 17.1942 -44.7919 25.148 0.92699 17.1942 0.926909 37.8065 GPRESSAVG: 4832800 -45.7903 -43.5484 19.4397 -45.1915 23.4287 1.27386 17.2494 1.71941 38.9741 TIMING: 4832800 CPU: 14343.4, 0.00294285/step Wall: 14343.4, 0.00294285/step, 0.136679 hours remaining, 209.960938 MB of memory in use. ENERGY: 4832800 733.0042 2135.1747 1949.7971 121.8884 -205998.1987 17585.8874 0.0000 0.0000 34156.9721 -149315.4748 298.3013 -183472.4469 -149218.5299 299.3217 -89.7393 -51.9103 556126.1865 5.7921 5.5375 PRESSURE: 4833000 -249.73 -89.6534 62.3518 -89.6532 0.482712 -66.9464 62.3518 -66.9476 0.238163 GPRESSURE: 4833000 -181.631 -106.939 30.4772 -62.6456 -30.0488 -35.2901 131.426 -30.8575 52.1189 PRESSAVG: 4833000 2.5201 26.8063 -8.90089 26.8063 -12.7866 -3.59202 -8.90111 -3.59191 10.1744 GPRESSAVG: 4833000 3.3413 27.1255 -8.87093 24.8292 -12.6338 -3.25983 -10.3123 -4.4157 9.23779 TIMING: 4833000 CPU: 14343.9, 0.00292579/step Wall: 14343.9, 0.00292579/step, 0.135724 hours remaining, 209.960938 MB of memory in use. ENERGY: 4833000 744.9728 2059.3239 1937.2284 113.5703 -206454.3091 17895.1357 0.0000 0.0000 34319.6546 -149384.4233 299.7221 -183704.0780 -149289.6576 298.8853 -83.0029 -53.1870 556623.4750 -0.0307 -0.0182 PRESSURE: 4833200 -336.644 -107.18 152.876 -107.179 -242.61 -100.478 152.876 -100.479 -272.388 GPRESSURE: 4833200 -360.172 -103.315 116.183 -58.2599 -170.008 -64.0831 169.221 -151.223 -226.057 PRESSAVG: 4833200 42.2281 11.6813 2.8051 11.6812 -65.716 4.98916 2.80505 4.98918 -13.3571 GPRESSAVG: 4833200 42.6502 10.6152 2.74129 13.0248 -65.565 4.87102 2.10788 5.98239 -13.9799 TIMING: 4833200 CPU: 14344.5, 0.00292293/step Wall: 14344.5, 0.00292293/step, 0.135429 hours remaining, 209.960938 MB of memory in use. ENERGY: 4833200 749.5430 2083.6875 1959.1271 110.4362 -205583.2207 17272.5494 0.0000 0.0000 34050.0528 -149357.8247 297.3676 -183407.8775 -149260.8098 298.6780 -283.8807 -252.0788 556394.8355 -12.2817 -12.2982 PRESSURE: 4833400 59.4379 5.92324 -114.568 5.92163 -236.97 -18.1099 -114.567 -18.1113 -261.329 GPRESSURE: 4833400 78.9525 82.4541 -93.105 -42.7222 -190.388 8.797 -150.262 66.4383 -227.544 PRESSAVG: 4833400 6.9886 42.6908 -21.3841 42.6908 -13.3451 -59.7381 -21.3842 -59.7382 -8.04327 GPRESSAVG: 4833400 7.80254 44.9959 -20.805 40.3048 -14.4735 -60.5903 -21.3042 -60.5779 -7.73565 TIMING: 4833400 CPU: 14345.1, 0.00292449/step Wall: 14345.1, 0.00292449/step, 0.135339 hours remaining, 209.960938 MB of memory in use. ENERGY: 4833400 732.1149 2066.3212 1905.9258 109.4161 -206225.6457 17614.7781 0.0000 0.0000 34454.4217 -149342.6680 300.8990 -183797.0897 -149245.0551 299.0417 -146.2868 -112.9933 556328.6389 -4.7999 -4.8022 PRESSURE: 4833600 -12.3752 -9.93318 38.461 -9.93286 83.6991 42.8835 38.4609 42.8824 105.645 GPRESSURE: 4833600 6.96458 25.6107 22.8017 39.1898 99.3826 22.5483 31.7217 40.0262 171.414 PRESSAVG: 4833600 -7.18983 -35.2271 9.46581 -35.2269 -8.90978 8.62006 9.4657 8.62013 39.6505 GPRESSAVG: 4833600 -7.19593 -36.9474 7.80591 -32.5995 -7.58805 7.23258 10.5614 9.57633 38.7307 TIMING: 4833600 CPU: 14345.7, 0.00293212/step Wall: 14345.7, 0.00293212/step, 0.135529 hours remaining, 209.960938 MB of memory in use. ENERGY: 4833600 705.9739 2115.9973 1957.2551 112.4258 -205954.7998 17753.5223 0.0000 0.0000 33902.8719 -149406.7535 296.0822 -183309.6254 -149313.5711 298.4598 58.9895 92.5871 557222.1350 7.8503 7.9822 PRESSURE: 4833800 29.3513 27.7008 -123.61 27.7013 -140.901 -152.606 -123.609 -152.605 -106.949 GPRESSURE: 4833800 93.0926 86.3375 -119.272 17.7906 -124.708 -132.197 -134.5 -177.926 -81.3555 PRESSAVG: 4833800 22.2293 -30.1168 -62.3383 -30.1168 -56.2081 -23.6366 -62.3383 -23.6367 11.1387 GPRESSAVG: 4833800 21.1455 -29.8715 -60.7281 -29.9335 -56.5052 -21.3889 -62.8156 -25.3709 12.0124 TIMING: 4833800 CPU: 14346.3, 0.00291612/step Wall: 14346.3, 0.00291612/step, 0.134627 hours remaining, 209.960938 MB of memory in use. ENERGY: 4833800 696.1679 2087.2122 1971.8569 116.6028 -206161.0537 17664.9445 0.0000 0.0000 34174.8879 -149449.3815 298.4578 -183624.2694 -149354.9686 297.9521 -72.8330 -37.6569 557491.4430 -7.6134 -7.7825 PRESSURE: 4834000 116.85 -26.3834 42.2289 -26.3839 95.9943 -43.5586 42.2282 -43.5571 -347.152 GPRESSURE: 4834000 126.358 38.6925 75.1962 -37.097 53.8233 -74.3943 4.96207 -31.8532 -234.467 PRESSAVG: 4834000 -10.976 -27.4474 21.5789 -27.4474 -33.5915 -1.35386 21.5789 -1.35385 30.2533 GPRESSAVG: 4834000 -9.81364 -27.8649 22.9209 -29.2037 -34.399 -2.11926 19.3941 -1.03225 29.5268 TIMING: 4834000 CPU: 14346.9, 0.00292199/step Wall: 14346.9, 0.00292199/step, 0.134736 hours remaining, 209.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4834000 712.7585 2121.2033 1939.5407 120.7232 -206144.8076 17519.0964 0.0000 0.0000 34252.6039 -149478.8816 299.1365 -183731.4856 -149376.9982 297.8146 -44.7692 -18.0951 557548.1737 -4.7714 -4.8953 PRESSURE: 4834200 90.8828 50.0886 -29.5859 50.0887 29.1071 1.68043 -29.5861 1.68072 -216.581 GPRESSURE: 4834200 91.1006 -28.4504 -66.0584 103.839 54.0376 -32.5374 -96.0866 -2.16089 -142.926 PRESSAVG: 4834200 -17.8296 -1.09582 -38.1669 -1.0958 31.5186 -30.0327 -38.1668 -30.0327 -49.3767 GPRESSAVG: 4834200 -17.7069 -2.79672 -41.2272 -0.100385 32.5648 -29.3644 -37.8539 -31.3659 -49.2876 TIMING: 4834200 CPU: 14347.4, 0.00292122/step Wall: 14347.4, 0.00292122/step, 0.134539 hours remaining, 209.960938 MB of memory in use. ENERGY: 4834200 726.0629 2010.0436 1944.1967 112.3678 -206381.9090 17801.2380 0.0000 0.0000 34347.1202 -149440.8798 299.9619 -183788.0000 -149340.6081 298.9787 -32.1969 0.7375 558070.4309 -11.8959 -11.4766 PRESSURE: 4834400 -7.85318 125.402 -16.2888 125.402 229.976 58.5956 -16.2893 58.5953 4.21274 GPRESSURE: 4834400 67.6092 125.269 -15.0351 20.2143 229.698 61.6105 49.3231 73.4059 36.2167 PRESSAVG: 4834400 77.9896 -32.2186 -27.1106 -32.2186 21.057 -15.4561 -27.1104 -15.4561 -103.828 GPRESSAVG: 4834400 76.7091 -30.959 -26.7024 -32.5075 21.1119 -16.444 -25.5864 -12.8561 -102.932 TIMING: 4834400 CPU: 14348, 0.00295021/step Wall: 14348, 0.00295021/step, 0.13571 hours remaining, 209.960938 MB of memory in use. ENERGY: 4834400 698.2251 2091.9465 1931.5418 113.9356 -206620.6406 17907.4601 0.0000 0.0000 34312.4706 -149565.0608 299.6593 -183877.5315 -149471.8826 298.8101 75.4451 111.1748 556841.0042 -1.5937 -1.7036 PRESSURE: 4834600 86.0474 -104.502 -13.2603 -104.503 98.417 55.7878 -13.2611 55.7874 191.963 GPRESSURE: 4834600 142.838 -59.401 -42.8569 -148.042 111.702 9.60093 26.6205 28.3701 217.225 PRESSAVG: 4834600 29.818 29.0131 5.12937 29.0131 41.6877 -29.2942 5.12935 -29.2941 -18.6623 GPRESSAVG: 4834600 32.123 29.1803 4.36467 28.6522 40.8664 -28.5915 5.89049 -30.6205 -19.8 TIMING: 4834600 CPU: 14348.6, 0.00296182/step Wall: 14348.6, 0.00296182/step, 0.136079 hours remaining, 209.960938 MB of memory in use. ENERGY: 4834600 690.0295 2071.3998 1957.3631 113.8572 -206621.1057 18008.5851 0.0000 0.0000 34147.9066 -149631.9643 298.2222 -183779.8709 -149535.8305 299.0200 125.4759 157.2553 556475.2777 17.6145 17.7298 PRESSURE: 4834800 -255.153 114.491 -1.23596 114.492 -244.747 -31.5344 -1.2359 -31.5348 -78.3694 GPRESSURE: 4834800 -215.601 197.484 -17.4351 77.6198 -205.662 60.4033 -34.7223 5.78373 -50.8389 PRESSAVG: 4834800 4.18246 -2.02058 22.592 -2.02058 -17.3633 -45.0517 22.5918 -45.0516 9.40276 GPRESSAVG: 4834800 3.8908 -1.75148 24.7004 -2.43603 -15.6727 -44.4487 18.8688 -43.1741 8.1766 TIMING: 4834800 CPU: 14349.2, 0.00291967/step Wall: 14349.2, 0.00291966/step, 0.13398 hours remaining, 209.960938 MB of memory in use. ENERGY: 4834800 710.8270 2107.5597 1941.0458 104.8813 -206276.3036 17610.7290 0.0000 0.0000 34282.9665 -149518.2944 299.4017 -183801.2609 -149423.8440 298.8959 -192.7565 -157.3673 559035.8339 -1.2594 -1.2018 PRESSURE: 4835000 40.5505 -4.56853 128.443 -4.56796 -249.077 -40.1058 128.443 -40.1067 -197.246 GPRESSURE: 4835000 36.9905 -26.8472 154.131 -5.06537 -230.907 -60.6108 157.519 -31.2672 -104.082 PRESSAVG: 4835000 45.5175 16.9291 7.85235 16.9292 -16.2669 5.84319 7.85234 5.84315 -10.0932 GPRESSAVG: 4835000 43.688 17.3233 7.21627 17.7837 -15.0111 5.32862 11.9876 5.20647 -9.79867 TIMING: 4835000 CPU: 14349.8, 0.0029242/step Wall: 14349.8, 0.0029242/step, 0.134026 hours remaining, 209.960938 MB of memory in use. ENERGY: 4835000 750.7595 2093.1618 1920.7869 112.0835 -206341.9414 17730.8263 0.0000 0.0000 34310.9752 -149423.3483 299.6463 -183734.3235 -149324.2508 299.1422 -135.2575 -99.3328 557380.5059 6.3858 6.2927 PRESSURE: 4835200 -273.555 -283.163 11.6862 -283.16 -137.795 37.3697 11.6853 37.3692 -193.475 GPRESSURE: 4835200 -299.022 -272.394 32.2472 -175.398 -79.6 39.7119 15.0067 -3.10804 -130.157 PRESSAVG: 4835200 20.5169 -12.8489 55.7461 -12.8487 -28.1137 -89.4391 55.746 -89.4392 -60.563 GPRESSAVG: 4835200 21.4157 -13.1341 56.7052 -12.8793 -29.5973 -89.2886 55.2612 -90.5858 -59.8094 TIMING: 4835200 CPU: 14350.4, 0.0029227/step Wall: 14350.4, 0.0029227/step, 0.133795 hours remaining, 209.960938 MB of memory in use. ENERGY: 4835200 762.2876 2043.6983 1936.8962 120.1094 -206096.2754 17543.8075 0.0000 0.0000 34269.5480 -149419.9283 299.2845 -183689.4763 -149323.1700 298.4581 -201.6084 -169.5932 558000.5722 -22.7199 -22.6637 PRESSURE: 4835400 95.3442 -6.62515 -112.856 -6.62416 166.492 -83.6118 -112.857 -83.6115 318.496 GPRESSURE: 4835400 188.786 -14.2288 -98.9533 -116.168 180.552 -35.534 -150.351 -49.6294 310.791 PRESSAVG: 4835400 55.417 19.4602 -39.5845 19.4603 -25.5033 21.2815 -39.5845 21.2814 -20.6702 GPRESSAVG: 4835400 56.0017 17.6348 -41.7031 19.6976 -25.5794 19.2633 -39.7717 21.5871 -21.1944 TIMING: 4835400 CPU: 14351, 0.00292107/step Wall: 14351, 0.00292107/step, 0.133558 hours remaining, 209.960938 MB of memory in use. ENERGY: 4835400 743.0046 2024.3503 1943.6728 114.6699 -206750.6351 18279.0951 0.0000 0.0000 34220.5682 -149425.2743 298.8567 -183645.8425 -149326.0250 298.8471 193.4441 226.7095 554926.9497 3.0812 3.0759 PRESSURE: 4835600 14.5527 -120.282 -107.627 -120.281 159.061 -178.951 -107.625 -178.953 -73.8886 GPRESSURE: 4835600 52.6093 -56.8976 -126.964 -84.0285 145.65 -168.703 -58.5133 -137.209 -17.4436 PRESSAVG: 4835600 -10.6201 -5.3014 3.69662 -5.3014 11.8627 11.762 3.69663 11.762 -43.1053 GPRESSAVG: 4835600 -10.4136 -6.82251 5.11501 -6.17135 10.4234 12.446 3.66121 14.3473 -42.4631 TIMING: 4835600 CPU: 14351.5, 0.00292451/step Wall: 14351.5, 0.00292451/step, 0.133552 hours remaining, 209.960938 MB of memory in use. ENERGY: 4835600 717.5557 2066.3328 1943.2456 112.8822 -206449.3685 17890.3064 0.0000 0.0000 34311.3308 -149407.7149 299.6494 -183719.0457 -149312.3199 299.1077 33.2419 60.2719 557266.1744 -13.9542 -14.1511 PRESSURE: 4835800 -32.8993 -68.7826 -1.63368 -68.7816 74.4398 23.1976 -1.63419 23.1966 -150.77 GPRESSURE: 4835800 -22.8207 -138.955 94.6931 -81.6897 58.945 21.3954 -46.5376 90.3722 -45.0031 PRESSAVG: 4835800 -12.0312 14.6293 4.36445 14.6293 64.4491 -21.342 4.36448 -21.3422 -4.9166 GPRESSAVG: 4835800 -12.7662 17.2111 4.5872 15.3965 65.7256 -19.9472 3.08751 -21.8357 -5.54005 TIMING: 4835800 CPU: 14352.1, 0.00291914/step Wall: 14352.1, 0.00291914/step, 0.133145 hours remaining, 209.960938 MB of memory in use. ENERGY: 4835800 744.0336 2030.4146 1940.3824 103.6254 -206276.7705 17874.8935 0.0000 0.0000 34210.3868 -149373.0343 298.7678 -183583.4210 -149282.9055 299.3130 -36.4097 -2.9596 557060.8020 15.8338 15.8064 PRESSURE: 4836000 -131.261 56.9147 119.896 56.9145 -127.894 81.185 119.894 81.1842 -92.8909 GPRESSURE: 4836000 -109.996 195.834 77.5545 33.4736 -113.882 72.1341 166.042 33.1827 -24.0539 PRESSAVG: 4836000 -13.5235 -12.9436 12.5262 -12.9436 110.056 -1.4943 12.5262 -1.49426 -74.4923 GPRESSAVG: 4836000 -13.6729 -13.6574 12.5171 -12.3081 110.296 -3.08919 13.7904 -1.05313 -74.2228 TIMING: 4836000 CPU: 14352.7, 0.00293184/step Wall: 14352.7, 0.00293184/step, 0.133561 hours remaining, 209.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4836000 761.3276 2055.8652 1955.5192 107.6071 -206046.1071 17630.9823 0.0000 0.0000 34102.0995 -149432.7062 297.8221 -183534.8057 -149338.0792 298.3155 -117.3485 -82.6441 557616.7305 7.3468 7.4668 PRESSURE: 4836200 246.594 31.3675 -179.566 31.3679 -92.2065 83.8618 -179.565 83.8612 166.179 GPRESSURE: 4836200 323.886 6.3794 -105.272 30.0836 -62.0145 89.0418 -180.778 117.691 157.901 PRESSAVG: 4836200 75.805 -33.6067 -17.3923 -33.6067 -20.9793 -6.04742 -17.3924 -6.04748 -60.733 GPRESSAVG: 4836200 76.3181 -32.7915 -18.7209 -35.3638 -20.5937 -5.10446 -18.3935 -6.66553 -61.3461 TIMING: 4836200 CPU: 14353.3, 0.00292791/step Wall: 14353.3, 0.00292791/step, 0.13322 hours remaining, 209.960938 MB of memory in use. ENERGY: 4836200 723.8549 2100.1374 1961.8256 111.1042 -206539.2170 18052.7040 0.0000 0.0000 34227.3221 -149362.2688 298.9157 -183589.5909 -149271.5388 298.8987 106.8556 139.9242 556509.7066 -1.9691 -1.8739 LDB: ============= START OF LOAD BALANCING ============== 14356.8 LDB: ============== END OF LOAD BALANCING =============== 14356.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14356.8 LDB: ============= START OF LOAD BALANCING ============== 14357.1 LDB: Largest compute 4800 load 0.021680 is 18.3% of average load 0.118275 LDB: Average compute 0.001712 is 1.4% of average load 0.118275 LDB: TIME 14357.1 LOAD: AVG 0.118275 MAX 0.195125 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.18 MB LDB: TIME 14357.1 LOAD: AVG 0.118275 MAX 0.195125 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.18 MB LDB: TIME 14357.1 LOAD: AVG 0.118275 MAX 0.195125 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.18 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14357.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14357.2 PRESSURE: 4836400 -148.437 -60.4137 97.5544 -60.413 -150.01 192.503 97.5538 192.505 -28.8704 GPRESSURE: 4836400 -135.879 -128.947 33.1209 18.9747 -101.851 186.597 86.123 273.562 7.07258 PRESSAVG: 4836400 55.5285 14.5032 -31.9888 14.5032 -54.4912 -23.2449 -31.9888 -23.2448 -17.4889 GPRESSAVG: 4836400 55.2236 13.1275 -29.4799 16.7381 -54.1919 -24.5412 -32.3885 -22.9579 -17.5111 TIMING: 4836400 CPU: 14353.9, 0.00298526/step Wall: 14353.9, 0.00298526/step, 0.135664 hours remaining, 208.351562 MB of memory in use. ENERGY: 4836400 753.7688 2133.9547 1948.4857 116.5660 -206190.8957 17700.9071 0.0000 0.0000 34291.7299 -149245.4833 299.4782 -183537.2132 -149145.8356 298.8592 -109.1059 -76.8857 557748.3065 -5.4839 -5.4931 PRESSURE: 4836600 -319.453 -56.2549 -81.7465 -56.2551 109.584 79.0065 -81.7468 79.0074 -214.113 GPRESSURE: 4836600 -294.502 -103.652 -95.2117 -77.7852 114.414 99.6719 -140.328 72.4985 -136.043 PRESSAVG: 4836600 -49.937 -14.636 2.70143 -14.636 -5.20993 8.32063 2.7015 8.32068 37.6714 GPRESSAVG: 4836600 -50.8505 -15.1873 1.20637 -16.7988 -4.69174 8.29483 2.14493 9.84011 38.0305 TIMING: 4836600 CPU: 14354.5, 0.0029165/step Wall: 14354.5, 0.00291651/step, 0.132377 hours remaining, 208.351562 MB of memory in use. ENERGY: 4836600 748.0854 2117.2746 1936.9841 105.0280 -206313.8904 17572.4717 0.0000 0.0000 34544.5960 -149289.4506 301.6865 -183834.0466 -149191.2798 299.6713 -141.3273 -105.3772 557969.4422 -5.8252 -5.8372 PRESSURE: 4836800 18.8355 -129.047 -61.4488 -129.048 36.5641 -210.694 -61.4477 -210.695 -267.623 GPRESSURE: 4836800 91.3512 -140.619 -119.064 -158.353 40.9842 -208.649 -59.3943 -199.977 -253.976 PRESSAVG: 4836800 50.393 -22.0722 -21.3537 -22.0723 -47.7376 -43.3986 -21.3536 -43.3985 4.71477 GPRESSAVG: 4836800 51.3708 -21.1906 -22.0549 -21.5902 -48.6744 -42.8021 -20.345 -47.6196 4.56668 TIMING: 4836800 CPU: 14355.1, 0.00289192/step Wall: 14355.1, 0.00289192/step, 0.1311 hours remaining, 208.351562 MB of memory in use. ENERGY: 4836800 741.0065 2167.7710 1961.3759 121.9162 -206189.3939 17742.5148 0.0000 0.0000 34236.4930 -149218.3164 298.9958 -183454.8094 -149121.9026 299.3777 -70.7412 -40.5469 557552.4758 2.4567 2.4210 PRESSURE: 4837000 51.4471 110.35 112.043 110.35 6.03498 43.7231 112.043 43.7234 22.1197 GPRESSURE: 4837000 46.5959 102.999 104.097 88.5906 24.0315 130.093 65.5986 -46.2688 101.885 PRESSAVG: 4837000 37.1767 37.0048 29.265 37.0048 -108.699 30.215 29.2651 30.215 82.0074 GPRESSAVG: 4837000 37.9163 37.5251 30.7018 36.5217 -108.801 30.8136 28.5562 31.5131 81.1889 TIMING: 4837000 CPU: 14355.6, 0.00289557/step Wall: 14355.6, 0.00289557/step, 0.131105 hours remaining, 208.351562 MB of memory in use. ENERGY: 4837000 768.3319 2126.9446 1951.0802 108.2981 -206290.7468 17886.7030 0.0000 0.0000 34236.0045 -149213.3846 298.9915 -183449.3890 -149118.0957 299.9507 26.5339 57.5041 556709.5659 3.4950 3.4348 PRESSURE: 4837200 189.153 127.936 -59.0064 127.936 -201.762 -0.74716 -59.0053 -0.747878 157.61 GPRESSURE: 4837200 246.791 122.821 -94.0413 173.378 -143.93 -26.4228 -72.7576 84.4431 154.463 PRESSAVG: 4837200 -8.94666 39.5626 41.0839 39.5626 -50.3233 -6.65613 41.084 -6.65616 71.5755 GPRESSAVG: 4837200 -9.71791 37.6395 38.0664 40.3317 -49.7258 -7.00739 39.3972 -5.01836 71.5773 TIMING: 4837200 CPU: 14356.2, 0.0029147/step Wall: 14356.2, 0.0029147/step, 0.131809 hours remaining, 208.351562 MB of memory in use. ENERGY: 4837200 765.1533 2153.3723 1909.2250 112.7117 -206403.6803 17985.9843 0.0000 0.0000 34344.6870 -149132.5467 299.9407 -183477.2337 -149030.4987 300.2992 48.3338 85.7747 557501.1450 4.1018 4.0445 PRESSURE: 4837400 -226.064 130.465 0.486366 130.464 -40.7627 19.492 0.485689 19.4932 -75.7636 GPRESSURE: 4837400 -240.075 179.313 1.71067 121.82 10.2836 -3.92598 38.4148 -65.0877 -10.9676 PRESSAVG: 4837400 -10.5551 37.285 29.9763 37.285 -30.4059 1.30022 29.9762 1.3001 41.9106 GPRESSAVG: 4837400 -10.76 38.3749 30.284 37.2889 -30.2454 -0.315649 31.2543 3.43398 41.8059 TIMING: 4837400 CPU: 14356.8, 0.00290583/step Wall: 14356.8, 0.00290583/step, 0.131247 hours remaining, 208.351562 MB of memory in use. ENERGY: 4837400 750.7744 2084.9799 1916.0731 113.4934 -206083.8084 17653.5833 0.0000 0.0000 34216.1942 -149348.7100 298.8185 -183564.9043 -149250.5133 299.5302 -114.1967 -80.2531 558338.2926 0.3165 0.2668 PRESSURE: 4837600 -195.45 50.488 28.1118 50.488 -16.4957 16.6794 28.1111 16.6798 106.971 GPRESSURE: 4837600 -101.388 105.389 -26.807 66.4298 5.90534 105.213 38.8076 -5.31045 90.8035 PRESSAVG: 4837600 -40.1221 0.5449 0.3434 0.545069 25.3436 3.81571 0.343383 3.81576 46.8726 GPRESSAVG: 4837600 -40.2481 1.34567 0.591507 -0.580383 25.7897 4.41692 1.93024 4.4428 46.9677 TIMING: 4837600 CPU: 14357.4, 0.00290936/step Wall: 14357.4, 0.00290936/step, 0.131245 hours remaining, 208.351562 MB of memory in use. ENERGY: 4837600 750.8662 2158.0710 1891.7422 114.0636 -206268.1684 17882.2105 0.0000 0.0000 34134.8529 -149336.3620 298.1082 -183471.2149 -149246.1479 299.0879 -34.9914 -1.5597 557783.5534 10.6980 10.8364 PRESSURE: 4837800 15.7467 173.672 -3.20944 173.671 -99.6852 97.462 -3.21089 97.4623 161.401 GPRESSURE: 4837800 14.8731 153.252 -21.427 138.496 -23.4317 34.5634 26.0138 128.359 178.012 PRESSAVG: 4837800 16.4643 24.8071 30.7706 24.807 -47.4068 -34.7087 30.7707 -34.7087 72.9289 GPRESSAVG: 4837800 17.812 25.3877 29.7261 23.4189 -47.9223 -32.8109 30.374 -37.6945 72.0786 TIMING: 4837800 CPU: 14358, 0.00292633/step Wall: 14358, 0.00292633/step, 0.131847 hours remaining, 208.351562 MB of memory in use. ENERGY: 4837800 725.0947 2094.2206 1945.9012 119.4330 -206567.8028 17988.8215 0.0000 0.0000 34258.6354 -149435.6965 299.1892 -183694.3318 -149332.9426 298.3863 25.8208 56.4845 557368.6789 13.9954 13.9894 PRESSURE: 4838000 -65.5514 -96.7186 -40.8603 -96.7181 -45.3005 -189.554 -40.8598 -189.553 -135.434 GPRESSURE: 4838000 -65.4363 -172.031 23.3098 -58.7154 -58.7676 -257.578 -62.003 -140.858 -23.5014 PRESSAVG: 4838000 -51.4911 -10.5472 -10.9259 -10.5473 -23.7162 13.6513 -10.9261 13.6514 34.3138 GPRESSAVG: 4838000 -52.696 -9.99447 -8.86608 -9.58202 -23.4125 12.8297 -10.9154 13.1066 35.1986 TIMING: 4838000 CPU: 14358.6, 0.00293542/step Wall: 14358.6, 0.00293542/step, 0.132094 hours remaining, 208.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4838000 717.5952 2145.4419 1945.4627 105.2053 -206471.6788 17780.0961 0.0000 0.0000 34537.0415 -149240.8361 301.6206 -183777.8776 -149147.4402 299.2637 -82.0953 -49.2351 556823.0550 -13.6311 -13.6366 PRESSURE: 4838200 -178.672 -252.214 -10.9811 -252.214 -34.7827 8.06811 -10.9809 8.06906 91.4582 GPRESSURE: 4838200 -146.236 -124.757 9.21136 -307.641 12.1991 27.9715 6.94953 -131.216 107.223 PRESSAVG: 4838200 -7.78896 -7.3699 -50.6029 -7.36992 5.39266 38.0976 -50.603 38.0976 -11.3088 GPRESSAVG: 4838200 -8.0146 -8.45521 -50.9118 -5.02184 5.10696 38.6801 -51.4485 37.6976 -11.1997 TIMING: 4838200 CPU: 14359.1, 0.00294055/step Wall: 14359.1, 0.00294055/step, 0.132161 hours remaining, 208.351562 MB of memory in use. ENERGY: 4838200 739.8241 2146.6315 1927.8513 101.3738 -205830.9401 17622.9609 0.0000 0.0000 34030.6463 -149261.6522 297.1981 -183292.2985 -149161.4346 298.4917 -40.6654 -8.9378 558251.4356 -4.5684 -4.7025 PRESSURE: 4838400 -211.004 9.72015 83.1746 9.71845 -9.3483 -180.787 83.1747 -180.787 -221.261 GPRESSURE: 4838400 -198.908 26.6042 16.5338 -21.7867 31.9893 -166.878 91.3784 -127.235 -176.363 PRESSAVG: 4838400 -14.212 -11.3932 22.23 -11.3932 36.6366 -4.84231 22.23 -4.84224 -8.95438 GPRESSAVG: 4838400 -13.7969 -10.9156 22.3416 -14.4318 36.9509 -4.54819 21.8595 -4.82741 -9.54809 TIMING: 4838400 CPU: 14359.7, 0.00291445/step Wall: 14359.7, 0.00291445/step, 0.130826 hours remaining, 208.351562 MB of memory in use. ENERGY: 4838400 740.9565 2102.8622 1888.1782 114.2245 -206325.9778 17667.3550 0.0000 0.0000 34309.4630 -149502.9384 299.6331 -183812.4014 -149405.7668 298.2718 -147.2043 -114.4273 557964.0558 4.4901 4.5353 PRESSURE: 4838600 43.5783 37.8892 59.0861 37.8892 58.5441 19.0713 59.0856 19.0729 -16.5198 GPRESSURE: 4838600 73.6864 17.4729 20.135 37.045 65.2094 113.588 84.9308 10.8213 50.2948 PRESSAVG: 4838600 -11.6195 4.56871 -7.8747 4.5686 84.6878 8.0446 -7.87463 8.04464 -1.08893 GPRESSAVG: 4838600 -11.4468 3.7904 -8.90066 4.80572 84.6045 8.1282 -8.44034 8.41283 -1.28537 TIMING: 4838600 CPU: 14360.3, 0.00294853/step Wall: 14360.3, 0.00294853/step, 0.132193 hours remaining, 208.351562 MB of memory in use. ENERGY: 4838600 760.3132 2083.9618 1932.7324 102.3015 -206497.2268 17789.0798 0.0000 0.0000 34315.4053 -149513.4329 299.6850 -183828.8381 -149415.5676 298.6203 28.5342 63.0635 555764.4816 23.9931 23.9574 PRESSURE: 4838800 98.8969 -69.9317 116.678 -69.9311 218.112 3.13188 116.678 3.12997 -75.7851 GPRESSURE: 4838800 69.8078 -19.5528 94.3473 -27.9168 289.701 56.6437 136.386 -57.6657 -7.10894 PRESSAVG: 4838800 -43.7386 12.1003 -10.2371 12.1002 37.1443 32.6481 -10.2371 32.6481 46.9738 GPRESSAVG: 4838800 -44.2807 12.1611 -9.59725 13.2778 36.2053 30.5811 -9.34108 32.6704 48.6248 TIMING: 4838800 CPU: 14360.9, 0.00294059/step Wall: 14360.9, 0.00294059/step, 0.131673 hours remaining, 208.351562 MB of memory in use. ENERGY: 4838800 722.2336 2046.5886 1927.3413 105.4962 -206429.9787 18036.0789 0.0000 0.0000 34025.2462 -149566.9940 297.1509 -183592.2402 -149471.2477 297.8323 80.4078 117.4666 557114.4645 13.4598 13.5165 PRESSURE: 4839000 15.3961 125.474 -38.7625 125.475 19.2293 -78.4829 -38.7615 -78.4829 1.80521 GPRESSURE: 4839000 20.3648 0.824195 -74.4294 251.011 2.39358 -128.411 -90.7043 -61.4431 113.567 PRESSAVG: 4839000 -7.22247 77.1756 46.7874 77.1756 6.85629 -35.2684 46.7874 -35.2685 -6.81859 GPRESSAVG: 4839000 -6.53397 77.6613 47.0314 75.6817 6.54487 -32.2789 44.8573 -35.6072 -6.5429 TIMING: 4839000 CPU: 14361.5, 0.00292713/step Wall: 14361.5, 0.00292713/step, 0.130908 hours remaining, 208.351562 MB of memory in use. ENERGY: 4839000 755.5452 2089.9381 1933.7822 114.4829 -206515.9414 17981.0333 0.0000 0.0000 34004.5211 -149636.6385 296.9699 -183641.1596 -149543.1973 298.1377 12.1435 45.4417 557860.6490 -2.3949 -2.1773 PRESSURE: 4839200 -192.86 22.5857 158.781 22.5859 296.601 117.714 158.782 117.715 18.9113 GPRESSURE: 4839200 -83.2974 70.0439 213.321 4.62797 299.663 74.8988 178.464 93.6643 -0.994024 PRESSAVG: 4839200 -24.2464 34.1301 -4.44479 34.1301 16.8569 33.4342 -4.44476 33.434 60.6879 GPRESSAVG: 4839200 -24.5356 35.0136 -2.29066 34.7419 19.6348 32.4603 -3.12583 32.9868 58.5411 TIMING: 4839200 CPU: 14362.1, 0.00293843/step Wall: 14362.1, 0.00293843/step, 0.13125 hours remaining, 208.351562 MB of memory in use. ENERGY: 4839200 712.9840 2102.8900 1950.7194 104.6906 -206410.2375 17864.5382 0.0000 0.0000 34220.4884 -149453.9268 298.8560 -183674.4153 -149363.6058 298.0292 40.8841 71.7905 557237.6619 17.7661 17.8801 PRESSURE: 4839400 -91.3108 92.3543 -105.882 92.352 -303.489 163.029 -105.881 163.031 -27.3748 GPRESSURE: 4839400 -49.4886 4.49738 -155.327 118.45 -325.99 156.142 -79.3417 105.962 43.0515 PRESSAVG: 4839400 -18.4644 -5.01434 -22.2373 -5.01433 -30.7017 46.2222 -22.2373 46.2222 51.1873 GPRESSAVG: 4839400 -17.9718 -6.3889 -24.2149 -5.3971 -30.9898 46.1203 -22.8852 47.8454 51.5407 TIMING: 4839400 CPU: 14362.7, 0.00295019/step Wall: 14362.7, 0.00295019/step, 0.131611 hours remaining, 208.351562 MB of memory in use. ENERGY: 4839400 743.8375 2077.3471 1928.7339 106.8226 -206345.4849 17647.1818 0.0000 0.0000 34229.5882 -149611.9738 298.9355 -183841.5620 -149521.0795 298.3949 -140.7250 -110.8089 556752.2414 0.6737 0.8597 PRESSURE: 4839600 191.951 -54.3069 85.2468 -54.3066 66.4385 177.364 85.2464 177.363 8.4534 GPRESSURE: 4839600 211.062 -3.93643 129.002 -64.3256 131.317 139.915 71.8556 154.542 24.0491 PRESSAVG: 4839600 37.9231 -14.4323 10.2628 -14.4323 -39.4984 -12.7953 10.2627 -12.7953 5.69254 GPRESSAVG: 4839600 37.3825 -15.1662 11.8148 -13.3153 -40.0174 -12.5178 7.74733 -13.5597 6.79681 TIMING: 4839600 CPU: 14363.3, 0.00294471/step Wall: 14363.3, 0.00294471/step, 0.131203 hours remaining, 208.351562 MB of memory in use. ENERGY: 4839600 744.8030 2032.4310 1912.3336 115.8814 -206560.2767 17909.7460 0.0000 0.0000 34237.4836 -149607.5983 299.0045 -183845.0818 -149508.0480 298.4438 88.9477 122.1427 555300.5017 1.3724 1.3873 PRESSURE: 4839800 108.265 111.41 -92.3187 111.409 110.238 43.2165 -92.3201 43.2171 316.914 GPRESSURE: 4839800 152.691 160.134 2.82082 131.358 131.044 12.1471 -179.155 117.383 341.876 PRESSAVG: 4839800 43.4755 -39.9912 -10.7739 -39.9912 -53.3055 48.3587 -10.7738 48.3586 -30.6988 GPRESSAVG: 4839800 44.6352 -39.5302 -11.0076 -40.7613 -53.2374 47.5069 -8.2638 48.9689 -31.6728 TIMING: 4839800 CPU: 14363.8, 0.0029113/step Wall: 14363.8, 0.0029113/step, 0.129553 hours remaining, 208.351562 MB of memory in use. ENERGY: 4839800 720.8112 2080.6731 1923.0069 118.6915 -206914.7009 18254.1671 0.0000 0.0000 34341.8899 -149475.4610 299.9163 -183817.3509 -149386.8096 298.4275 178.4721 208.5367 556245.1654 -13.5096 -13.4250 PRESSURE: 4840000 -75.3183 -74.1077 41.34 -74.1073 94.0655 -184.681 41.3392 -184.68 -5.98825 GPRESSURE: 4840000 -37.9872 -129.163 76.3488 -54.282 126.083 -222.854 83.2549 -175.831 25.2369 PRESSAVG: 4840000 -44.4633 -23.6019 27.6335 -23.6019 52.7484 -0.605036 27.6335 -0.605019 -27.15 GPRESSAVG: 4840000 -44.3422 -24.7652 26.4885 -23.4795 52.7663 0.754876 27.0599 0.108845 -27.1868 TIMING: 4840000 CPU: 14364.4, 0.00292415/step Wall: 14364.4, 0.00292415/step, 0.129962 hours remaining, 208.351562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4840000 722.1797 2109.6248 1908.2756 107.5254 -206469.3260 18050.9487 0.0000 0.0000 34016.9194 -149553.8524 297.0782 -183570.7718 -149456.0545 298.9427 4.2530 37.7776 559296.0173 -6.2883 -6.2542 PRESSURE: 4840200 -162.43 45.4106 -67.3185 45.411 -349.69 21.6544 -67.3194 21.6532 -495.656 GPRESSURE: 4840200 -123.125 86.8677 -53.1584 33.1703 -316.785 13.3789 -75.2664 39.7537 -464.57 PRESSAVG: 4840200 -14.0895 -0.195262 62.1641 -0.195216 13.6105 -3.12353 62.1641 -3.1234 -50.1921 GPRESSAVG: 4840200 -14.5506 0.631099 61.7982 -0.0908293 12.8706 -3.27448 63.9498 -1.90928 -49.3174 TIMING: 4840200 CPU: 14365, 0.00292041/step Wall: 14365, 0.00292041/step, 0.129634 hours remaining, 208.351562 MB of memory in use. ENERGY: 4840200 732.4877 2112.0604 1929.3326 107.3616 -205962.9868 17347.1334 0.0000 0.0000 34209.7207 -149524.8904 298.7620 -183734.6111 -149432.0190 298.3989 -335.9252 -301.4934 558456.5651 -16.8904 -16.9991 LDB: ============= START OF LOAD BALANCING ============== 14368.6 LDB: ============== END OF LOAD BALANCING =============== 14368.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14368.6 LDB: ============= START OF LOAD BALANCING ============== 14368.8 LDB: Largest compute 4801 load 0.024103 is 20.4% of average load 0.118336 LDB: Average compute 0.001714 is 1.4% of average load 0.118336 LDB: TIME 14368.9 LOAD: AVG 0.118336 MAX 0.196919 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.84 MB LDB: TIME 14368.9 LOAD: AVG 0.118336 MAX 0.196919 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.84 MB LDB: TIME 14368.9 LOAD: AVG 0.118336 MAX 0.196919 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.84 MB LDB: ============== END OF LOAD BALANCING =============== 14368.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14368.9 PRESSURE: 4840400 -57.6191 -112.005 10.5421 -112.005 230.737 -3.00237 10.5428 -3.00368 -113.158 GPRESSURE: 4840400 -11.2754 -85.3795 -40.1534 -91.0552 220.695 40.3679 73.603 -75.6734 -45.3638 PRESSAVG: 4840400 -30.0281 -11.4773 -6.47381 -11.4773 74.8435 5.80071 -6.47376 5.80074 -22.7975 GPRESSAVG: 4840400 -30.7378 -7.69305 -6.4352 -15.1097 75.4381 6.6034 -7.62481 5.30231 -22.3657 TIMING: 4840400 CPU: 14365.6, 0.0029748/step Wall: 14365.6, 0.0029748/step, 0.131883 hours remaining, 209.632812 MB of memory in use. ENERGY: 4840400 715.5497 2094.9507 1922.9080 114.5440 -206459.9082 17771.8855 0.0000 0.0000 34288.1150 -149551.9553 299.4466 -183840.0703 -149453.6315 298.6121 19.9866 54.6854 556474.0110 7.3393 7.4448 PRESSURE: 4840600 126.637 4.89792 -100.062 4.89904 153.044 159.551 -100.063 159.551 161.788 GPRESSURE: 4840600 136.853 70.6715 -115.973 -70.1228 255.207 118.204 8.54554 127.849 156.474 PRESSAVG: 4840600 -73.8654 -1.97742 17.8403 -1.97746 106.484 25.8552 17.8404 25.8551 -21.9069 GPRESSAVG: 4840600 -73.166 -4.60556 19.3738 0.150838 106.349 25.0477 16.9109 25.7872 -21.7543 TIMING: 4840600 CPU: 14366.2, 0.00294927/step Wall: 14366.2, 0.00294927/step, 0.130587 hours remaining, 209.835938 MB of memory in use. ENERGY: 4840600 755.0989 2075.1040 1933.5322 115.5970 -206919.3967 18023.2036 0.0000 0.0000 34533.1184 -149483.7427 301.5863 -184016.8611 -149385.6182 298.4303 147.1562 182.8447 555071.0138 3.5707 3.8095 PRESSURE: 4840800 -102.1 18.9603 -161.685 18.9597 301.458 127.116 -161.686 127.115 128.602 GPRESSURE: 4840800 -88.9674 47.0573 -141.082 -73.1512 388.041 102.347 -182.503 212.348 136.573 PRESSAVG: 4840800 -38.8314 -25.0038 -66.9281 -25.0038 34.5 -9.64269 -66.928 -9.64264 9.68457 GPRESSAVG: 4840800 -39.0783 -24.6599 -65.9127 -25.0501 34.3276 -10.3715 -66.9148 -9.59157 9.67117 TIMING: 4840800 CPU: 14366.8, 0.00294031/step Wall: 14366.8, 0.00294031/step, 0.130027 hours remaining, 209.835938 MB of memory in use. ENERGY: 4840800 722.6724 2127.7846 1949.3350 110.4303 -206286.9135 17812.1566 0.0000 0.0000 34033.8294 -149530.7051 297.2259 -183564.5345 -149436.8516 299.2532 109.3201 145.2153 554410.1217 1.7844 1.6401 PRESSURE: 4841000 -219.629 23.101 -74.138 23.1012 77.2956 -127.778 -74.1372 -127.778 -228.005 GPRESSURE: 4841000 -156.703 82.304 -91.8695 56.0224 112.573 -81.8353 -77.3149 -82.2323 -233.022 PRESSAVG: 4841000 -50.0746 14.7801 -46.5297 14.78 23.0615 4.44242 -46.5297 4.44243 21.6553 GPRESSAVG: 4841000 -50.3841 16.228 -47.4699 14.0988 22.4719 5.83218 -46.2035 4.84089 21.9691 TIMING: 4841000 CPU: 14367.4, 0.00294729/step Wall: 14367.4, 0.00294729/step, 0.130172 hours remaining, 209.835938 MB of memory in use. ENERGY: 4841000 757.2255 2049.8693 1934.1029 114.5799 -206231.3557 17673.2189 0.0000 0.0000 34170.0012 -149532.3579 298.4151 -183702.3591 -149430.0188 298.1452 -123.4461 -92.3840 557005.6822 -1.7859 -1.9811 PRESSURE: 4841200 135.322 -29.5082 -105.593 -29.5094 -52.363 42.3067 -105.595 42.3081 124.986 GPRESSURE: 4841200 155.915 -46.615 -84.0647 6.03771 -77.1324 29.8351 -114.599 -15.6583 235.747 PRESSAVG: 4841200 -30.5932 -10.9893 -43.9732 -10.9892 -16.881 12.021 -43.9733 12.021 45.6996 GPRESSAVG: 4841200 -30.1617 -11.4392 -43.5022 -11.9529 -16.7262 11.2379 -42.5033 11.2418 45.6904 TIMING: 4841200 CPU: 14368, 0.00292521/step Wall: 14368, 0.00292521/step, 0.129034 hours remaining, 209.835938 MB of memory in use. ENERGY: 4841200 699.0291 2152.0921 1916.9112 112.8596 -206595.8029 18076.1974 0.0000 0.0000 34038.5048 -149600.2088 297.2667 -183638.7136 -149508.1396 298.6114 69.3148 104.8431 557668.5259 -0.5915 -0.3992 PRESSURE: 4841400 46.5617 10.7787 -166.406 10.7766 -95.2219 37.7739 -166.406 37.7745 -121.01 GPRESSURE: 4841400 56.122 -4.27664 -157.667 -21.4859 -44.1837 23.6319 -201.553 64.7924 -78.589 PRESSAVG: 4841400 -16.9577 34.332 -18.7434 34.332 -5.12739 -2.98043 -18.7435 -2.98036 43.0902 GPRESSAVG: 4841400 -16.3034 33.5038 -18.6232 35.1718 -5.65117 -3.59877 -20.5384 -2.65227 42.46 TIMING: 4841400 CPU: 14368.5, 0.0029273/step Wall: 14368.5, 0.0029273/step, 0.128964 hours remaining, 209.835938 MB of memory in use. ENERGY: 4841400 782.5605 2073.1341 1927.9151 112.6871 -206689.8948 18049.8128 0.0000 0.0000 34256.0431 -149487.7421 299.1665 -183743.7852 -149391.3471 299.1852 -56.5568 -22.2169 559333.5687 7.0017 6.8351 PRESSURE: 4841600 -246.608 100.478 -62.6351 100.477 -116.457 32.0015 -62.635 31.9996 77.5371 GPRESSURE: 4841600 -181.176 41.266 -2.24802 168.258 -90.6508 30.9369 -21.6917 23.6977 74.575 PRESSAVG: 4841600 -29.1666 36.3102 34.5102 36.3102 5.81152 21.0429 34.5103 21.0429 11.1469 GPRESSAVG: 4841600 -31.0427 37.4984 33.7361 36.1069 7.16783 21.9051 35.282 20.9249 10.9767 TIMING: 4841600 CPU: 14369.1, 0.0029482/step Wall: 14369.1, 0.0029482/step, 0.129721 hours remaining, 209.835938 MB of memory in use. ENERGY: 4841600 759.4305 2086.6442 1941.5736 123.2331 -206254.5581 17972.6937 0.0000 0.0000 34173.3210 -149197.6620 298.4441 -183370.9830 -149108.9972 298.6463 -95.1759 -65.7506 561880.3260 -4.0694 -4.2994 PRESSURE: 4841800 119.292 -1.81254 25.0621 -1.81384 69.9241 69.9263 25.062 69.9251 75.991 GPRESSURE: 4841800 35.4937 -56.6319 45.0429 69.3366 118.806 44.2001 -58.759 95.1286 201.961 PRESSAVG: 4841800 -24.1901 -33.3825 -23.7822 -33.3826 -17.6123 -30.2473 -23.7822 -30.2473 17.6701 GPRESSAVG: 4841800 -24.2596 -33.3236 -22.8746 -31.1609 -19.0659 -29.5054 -25.1506 -30.2874 18.8044 TIMING: 4841800 CPU: 14369.7, 0.0029422/step Wall: 14369.7, 0.0029422/step, 0.129293 hours remaining, 209.835938 MB of memory in use. ENERGY: 4841800 738.6818 2148.1121 1906.3921 121.5319 -206475.8440 17971.7756 0.0000 0.0000 34522.7777 -149066.5728 301.4960 -183589.3505 -148968.6205 298.8844 88.4023 118.7534 560168.7318 -8.0441 -8.1737 PRESSURE: 4842000 -58.5573 12.6727 53.1653 12.6728 101.614 91.5086 53.1671 91.5107 239.624 GPRESSURE: 4842000 -21.5049 20.9156 124.902 34.6742 160.321 61.1599 -27.5909 87.8423 242.58 PRESSAVG: 4842000 32.7726 3.24006 -24.3205 3.24001 5.57913 31.3026 -24.3206 31.3026 -25.2981 GPRESSAVG: 4842000 32.9998 2.57217 -25.1206 0.707016 6.06032 29.7347 -21.5951 33.9648 -26.486 TIMING: 4842000 CPU: 14370.3, 0.00296831/step Wall: 14370.3, 0.00296831/step, 0.130276 hours remaining, 209.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4842000 737.2774 2161.4992 1933.0942 101.0960 -206046.5853 17844.5318 0.0000 0.0000 34406.5186 -148862.5681 300.4807 -183269.0868 -148764.4155 299.3483 94.2269 127.1318 559498.6740 4.3512 4.1914 PRESSURE: 4842200 32.964 92.9713 1.46565 92.9706 -13.6625 8.05061 1.46392 8.04907 86.207 GPRESSURE: 4842200 55.1541 78.5094 -0.870173 58.6218 31.4335 57.7192 24.2143 -14.133 113.286 PRESSAVG: 4842200 -9.19005 17.6629 76.9419 17.6629 -37.0862 -10.4738 76.9419 -10.4737 -1.48189 GPRESSAVG: 4842200 -8.90197 19.7628 74.8182 15.3652 -36.8953 -9.9582 76.7512 -12.2548 -2.22525 TIMING: 4842200 CPU: 14370.9, 0.00296853/step Wall: 14370.9, 0.00296853/step, 0.130121 hours remaining, 209.835938 MB of memory in use. ENERGY: 4842200 742.8721 2149.2051 1941.0054 116.6700 -205835.5761 17649.2312 0.0000 0.0000 34409.8374 -148826.7548 300.5097 -183236.5921 -148731.9975 299.1141 35.1695 66.6244 559356.2095 -15.9194 -16.0075 PRESSURE: 4842400 110.822 22.3986 16.3846 22.3977 -254.541 -16.4985 16.3846 -16.497 -1.58561 GPRESSURE: 4842400 178.527 20.0305 19.795 -10.7508 -216.604 -48.217 51.903 8.62343 -8.11429 PRESSAVG: 4842400 91.393 5.99651 -9.08896 5.99661 -4.6015 -28.3626 -9.08897 -28.3626 -51.211 GPRESSAVG: 4842400 91.6772 3.24877 -4.54521 8.20908 -4.31144 -27.1905 -10.8534 -27.6969 -51.6682 TIMING: 4842400 CPU: 14371.5, 0.00295555/step Wall: 14371.5, 0.00295555/step, 0.129388 hours remaining, 209.835938 MB of memory in use. ENERGY: 4842400 750.8478 2119.8692 1938.8034 113.2460 -205651.4357 17663.8654 0.0000 0.0000 34297.4325 -148767.3713 299.5280 -183064.8039 -148677.1208 299.9383 -48.4346 -15.3971 558898.9022 11.8602 11.8992 PRESSURE: 4842600 42.8611 38.8267 23.1224 38.8266 -15.6378 -104.198 23.1224 -104.198 -135.672 GPRESSURE: 4842600 81.366 46.3453 -25.5489 102.619 -8.81158 -124.51 66.3767 -26.6652 -93.8171 PRESSAVG: 4842600 33.3867 17.3387 40.7595 17.3388 -10.2704 7.32507 40.7595 7.32507 -0.250405 GPRESSAVG: 4842600 33.2723 16.7978 37.419 19.0826 -11.5275 6.57843 42.4766 6.7943 1.28172 TIMING: 4842600 CPU: 14372.1, 0.00296597/step Wall: 14372.1, 0.00296597/step, 0.129679 hours remaining, 209.835938 MB of memory in use. ENERGY: 4842600 709.3947 2159.0621 1927.3045 108.3258 -205697.0031 17669.5705 0.0000 0.0000 34452.1273 -148671.2182 300.8790 -183123.3455 -148580.5183 300.3643 -36.1495 -7.0876 559562.8560 7.6220 7.6755 PRESSURE: 4842800 -20.4626 -112.49 -128.792 -112.491 250.52 10.7895 -128.793 10.7915 49.6857 GPRESSURE: 4842800 72.8171 -123.001 -88.1329 -45.5111 248.01 -47.3348 -116.137 5.33411 59.8519 PRESSAVG: 4842800 -11.8229 -26.2012 -39.9553 -26.2012 -38.7573 61.0873 -39.9554 61.0873 16.9109 GPRESSAVG: 4842800 -10.7396 -24.9959 -39.722 -25.9759 -38.8357 60.1754 -41.4314 60.0922 16.3063 TIMING: 4842800 CPU: 14372.7, 0.00295685/step Wall: 14372.7, 0.00295685/step, 0.129116 hours remaining, 209.835938 MB of memory in use. ENERGY: 4842800 755.2359 2094.9105 1913.5273 122.9653 -205527.5358 17753.1439 0.0000 0.0000 34237.4273 -148650.3257 299.0040 -182887.7530 -148558.2090 300.6151 93.2477 126.8930 557780.2087 -11.2231 -11.0897 PRESSURE: 4843000 288.582 84.1121 137.082 84.1122 464.737 -76.507 137.08 -76.5072 37.5719 GPRESSURE: 4843000 288.451 33.7084 217.961 159.859 570.828 -28.5209 144.132 -99.3883 19.4519 PRESSAVG: 4843000 3.40527 -54.8859 -2.65445 -54.8858 1.78675 -29.8506 -2.6545 -29.8506 15.7204 GPRESSAVG: 4843000 2.744 -56.079 -2.68535 -54.3072 1.79653 -27.9146 -1.00064 -30.8239 15.9964 TIMING: 4843000 CPU: 14373.3, 0.00298413/step Wall: 14373.3, 0.00298413/step, 0.130141 hours remaining, 209.835938 MB of memory in use. ENERGY: 4843000 763.8529 2035.7122 1926.1295 121.4339 -206397.7190 18223.8372 0.0000 0.0000 34556.8484 -148769.9048 301.7936 -183326.7532 -148671.2820 301.2540 263.6302 292.9103 557299.0673 6.9708 6.8456 PRESSURE: 4843200 92.8671 33.0351 142.126 33.0345 48.7526 -159.466 142.127 -159.465 -132.243 GPRESSURE: 4843200 108.183 27.8487 74.9993 22.2989 41.4056 -132.923 216.904 -80.9176 -53.7685 PRESSAVG: 4843200 -9.67726 28.6114 29.9849 28.6114 55.9026 -39.6718 29.9849 -39.6718 -2.69146 GPRESSAVG: 4843200 -9.14327 30.1657 30.8323 29.0051 55.2791 -39.5316 28.0934 -35.9248 -2.54846 TIMING: 4843200 CPU: 14373.9, 0.00296249/step Wall: 14373.9, 0.00296249/step, 0.129033 hours remaining, 209.835938 MB of memory in use. ENERGY: 4843200 698.9445 2132.6697 1959.7635 121.7427 -205646.7040 17638.9280 0.0000 0.0000 34308.6448 -148786.0109 299.6259 -183094.6556 -148690.6100 300.4651 3.1256 31.9400 558032.7252 14.5113 14.5291 PRESSURE: 4843400 116.237 87.0137 45.7269 87.0144 -35.3845 176.625 45.7261 176.627 -81.8813 GPRESSURE: 4843400 180.011 128.485 26.4778 12.2648 5.37429 129.536 49.4123 153.228 -83.7084 PRESSAVG: 4843400 -16.7214 43.0344 -8.64147 43.0343 20.2415 5.87873 -8.6414 5.87872 7.80165 GPRESSAVG: 4843400 -17.3743 42.5978 -10.0964 42.7662 21.2411 6.68064 -6.73877 2.58462 7.66551 TIMING: 4843400 CPU: 14374.5, 0.00294887/step Wall: 14374.5, 0.00294887/step, 0.128276 hours remaining, 209.835938 MB of memory in use. ENERGY: 4843400 716.2770 2090.3874 1943.6866 107.0257 -205665.8433 17541.6763 0.0000 0.0000 34452.2672 -148814.5231 300.8802 -183266.7903 -148713.0838 301.3945 -0.3430 33.8924 557166.2275 3.7739 3.8441 PRESSURE: 4843600 -13.1892 1.82143 -90.6028 1.82191 40.4716 68.664 -90.6016 68.6633 -24.362 GPRESSURE: 4843600 -4.32813 36.7445 -88.8647 -69.5815 93.7827 49.3863 -93.004 55.4645 1.44246 PRESSAVG: 4843600 -21.8593 -37.7835 -6.64384 -37.7835 25.4765 -12.894 -6.64379 -12.894 -24.9866 GPRESSAVG: 4843600 -22.155 -38.4611 -6.51692 -38.6095 25.6992 -14.9658 -7.61593 -12.5056 -24.5251 TIMING: 4843600 CPU: 14375.1, 0.00296885/step Wall: 14375.1, 0.00296885/step, 0.12898 hours remaining, 209.835938 MB of memory in use. ENERGY: 4843600 713.7568 2121.9111 1942.1154 127.0829 -206103.1324 17740.8851 0.0000 0.0000 34387.6544 -149069.7267 300.3159 -183457.3811 -148961.5596 300.3042 0.9735 30.2990 556455.8222 -7.1232 -6.9937 PRESSURE: 4843800 -155.969 85.1339 35.1916 85.1332 -15.0803 -22.2647 35.19 -22.2649 1.10454 GPRESSURE: 4843800 -150.623 31.0558 55.086 158.72 50.2037 -98.942 20.908 45.8395 37.7171 PRESSAVG: 4843800 25.8207 -34.23 42.5427 -34.2299 14.0666 10.798 42.5427 10.798 -34.6452 GPRESSAVG: 4843800 26.131 -33.8256 42.8477 -31.7966 14.5387 12.9487 43.113 11.2945 -35.65 TIMING: 4843800 CPU: 14375.7, 0.00297285/step Wall: 14375.7, 0.00297285/step, 0.128989 hours remaining, 209.835938 MB of memory in use. ENERGY: 4843800 743.5118 2130.2123 1937.2877 119.8260 -205819.4123 17705.3563 0.0000 0.0000 34315.2431 -148867.9751 299.6836 -183183.2182 -148769.1913 300.1403 -56.6481 -20.9007 557318.3789 1.7474 1.6732 PRESSURE: 4844000 213.412 -100.349 -206.254 -100.349 -2.04654 69.5342 -206.255 69.5346 211.781 GPRESSURE: 4844000 270.197 -90.727 -171.411 -70.0388 -4.57697 65.6192 -196.936 83.7688 268.571 PRESSAVG: 4844000 41.936 15.488 -37.0339 15.488 12.6537 34.3261 -37.0339 34.3262 -21.8423 GPRESSAVG: 4844000 41.8816 14.9728 -37.181 13.1434 12.0885 33.1285 -37.8761 33.5688 -21.0227 TIMING: 4844000 CPU: 14376.2, 0.00294997/step Wall: 14376.2, 0.00294997/step, 0.127832 hours remaining, 209.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4844000 753.7897 2120.2269 1959.4166 117.8160 -205831.7228 17852.1320 0.0000 0.0000 34351.3391 -148677.0026 299.9988 -183028.3417 -148586.2101 300.4339 141.0488 178.0636 557679.7527 10.9158 10.9825 PRESSURE: 4844200 -288.998 119.082 -118.248 119.081 -60.8034 -70.4466 -118.248 -70.4479 -67.9314 GPRESSURE: 4844200 -222.124 72.4348 -90.8966 173.791 -44.985 -114.726 -81.8076 -76.2364 -39.542 PRESSAVG: 4844200 -71.8399 54.9473 -48.3784 54.9473 86.5197 17.5577 -48.3784 17.5577 -66.8997 GPRESSAVG: 4844200 -72.2669 55.6295 -47.6816 54.166 86.6713 18.0423 -46.6846 17.4656 -67.3205 TIMING: 4844200 CPU: 14376.8, 0.00294868/step Wall: 14376.8, 0.00294868/step, 0.127612 hours remaining, 209.835938 MB of memory in use. ENERGY: 4844200 730.6047 2104.2072 1971.7231 128.2572 -205841.1550 17577.8603 0.0000 0.0000 34513.4368 -148815.0656 301.4144 -183328.5025 -148721.4853 300.6871 -139.2442 -102.2170 558868.4590 -17.4067 -17.6387 LDB: ============= START OF LOAD BALANCING ============== 14380.4 LDB: ============== END OF LOAD BALANCING =============== 14380.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14380.4 LDB: ============= START OF LOAD BALANCING ============== 14380.7 LDB: Largest compute 4801 load 0.024239 is 20.5% of average load 0.118305 LDB: Average compute 0.001713 is 1.4% of average load 0.118305 LDB: TIME 14380.7 LOAD: AVG 0.118305 MAX 0.195545 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.18 MB LDB: TIME 14380.7 LOAD: AVG 0.118305 MAX 0.195545 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.223 MB LDB: TIME 14380.7 LOAD: AVG 0.118305 MAX 0.195545 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.223 MB LDB: ============== END OF LOAD BALANCING =============== 14380.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14380.7 PRESSURE: 4844400 79.2608 -107.689 -17.3139 -107.69 -64.0294 61.157 -17.3136 61.1577 -126.266 GPRESSURE: 4844400 108.527 -63.4504 -27.7668 -114.939 -7.39057 115.987 -16.7966 -16.1446 -110.775 PRESSAVG: 4844400 -17.0273 64.4032 -32.0135 64.4033 39.0306 53.3313 -32.0135 53.3313 -11.975 GPRESSAVG: 4844400 -16.9308 61.9299 -33.6961 66.66 39.2808 52.6193 -33.5367 52.1161 -12.2368 TIMING: 4844400 CPU: 14377.4, 0.00298637/step Wall: 14377.4, 0.00298637/step, 0.129077 hours remaining, 207.640625 MB of memory in use. ENERGY: 4844400 772.7070 2127.2754 1933.8210 125.3973 -205967.1577 17739.2202 0.0000 0.0000 34404.5585 -148864.1783 300.4636 -183268.7368 -148768.8583 300.6017 -37.0116 -3.2130 557760.3687 3.3428 3.3711 PRESSURE: 4844600 -199.603 -124.758 -154.827 -124.757 -23.8545 191.008 -154.827 191.008 -200.568 GPRESSURE: 4844600 -96.3074 -108.27 -144.767 -120.688 8.72244 189.39 -173.498 221.528 -232.754 PRESSAVG: 4844600 -16.764 -4.81111 -17.3835 -4.8111 38.3247 55.92 -17.3836 55.92 -7.5913 GPRESSAVG: 4844600 -16.0321 -5.13456 -15.9203 -5.87443 38.0482 55.6895 -16.371 55.3744 -8.40991 TIMING: 4844600 CPU: 14378, 0.00294216/step Wall: 14378, 0.00294216/step, 0.127003 hours remaining, 207.839844 MB of memory in use. ENERGY: 4844600 770.8168 2098.5204 1906.0381 111.2994 -206103.5920 17908.6157 0.0000 0.0000 34419.1302 -148889.1714 300.5908 -183308.3016 -148793.7985 300.2147 -141.3420 -106.7796 560462.4503 4.6565 4.5354 PRESSURE: 4844800 -275.039 -125.239 21.9244 -125.24 -287.614 -107.466 21.9247 -107.467 -179.604 GPRESSURE: 4844800 -266.246 -173.346 6.14111 -109.789 -247.048 -77.4114 -56.9685 -129.948 -129.804 PRESSAVG: 4844800 -20.2464 48.354 -4.81466 48.354 -45.9937 -0.597969 -4.81464 -0.598088 81.8635 GPRESSAVG: 4844800 -20.8181 51.6774 -5.05518 47.6066 -46.4567 -2.08001 -5.38833 1.9194 82.2571 TIMING: 4844800 CPU: 14378.6, 0.00294095/step Wall: 14378.6, 0.00294095/step, 0.126788 hours remaining, 207.839844 MB of memory in use. ENERGY: 4844800 770.9494 2107.7488 1920.8511 114.8469 -205929.2550 17638.6159 0.0000 0.0000 34259.7951 -149116.4479 299.1993 -183376.2430 -149021.2093 300.5814 -247.4192 -214.3659 558729.6710 5.2078 4.9941 PRESSURE: 4845000 -287.86 35.4871 112.449 35.4881 -163.265 18.6395 112.449 18.6385 -177.031 GPRESSURE: 4845000 -251.154 39.9309 84.1077 61.655 -118.492 -34.4829 115.102 33.5899 -147.641 PRESSAVG: 4845000 -2.61802 -7.91042 16.3847 -7.91043 -18.0229 28.9664 16.3847 28.9663 7.89903 GPRESSAVG: 4845000 -2.87884 -9.56355 17.1557 -8.5955 -17.9491 31.2447 16.6334 27.9588 7.95405 TIMING: 4845000 CPU: 14379.2, 0.00295384/step Wall: 14379.2, 0.00295384/step, 0.127179 hours remaining, 207.839844 MB of memory in use. ENERGY: 4845000 726.6200 2110.3175 1926.7484 104.2681 -205862.2737 17596.0307 0.0000 0.0000 34353.7026 -149044.5863 300.0194 -183398.2889 -148942.8665 299.8714 -209.3851 -172.4289 560008.4757 -4.2473 -4.2913 PRESSURE: 4845200 -156.896 89.1717 37.016 89.1723 114.081 26.0608 37.0154 26.0602 -89.5493 GPRESSURE: 4845200 -117.574 169.458 55.8372 85.921 109.003 -25.1267 -41.0525 7.33802 -25.9653 PRESSAVG: 4845200 -3.07806 3.32621 -48.3228 3.3263 -11.9969 -6.70498 -48.3228 -6.70493 0.130906 GPRESSAVG: 4845200 -2.84484 1.40714 -47.9662 6.35192 -11.9318 -9.45429 -48.8506 -5.63486 -0.758393 TIMING: 4845200 CPU: 14379.8, 0.0029582/step Wall: 14379.8, 0.0029582/step, 0.127203 hours remaining, 207.839844 MB of memory in use. ENERGY: 4845200 741.5993 2143.9260 1932.0453 111.2296 -206035.8362 17711.7128 0.0000 0.0000 34496.2204 -148899.1027 301.2641 -183395.3231 -148798.8038 299.9680 -44.1213 -11.5121 558913.8241 -4.9813 -5.1783 PRESSURE: 4845400 -209.928 -80.3509 -107.399 -80.3512 70.0701 150.84 -107.398 150.842 304.175 GPRESSURE: 4845400 -152.622 -128.535 -1.36447 -66.5617 45.7837 95.3084 -139.682 204.926 371.761 PRESSAVG: 4845400 -48.6918 -6.58259 -5.4064 -6.58256 -6.1321 25.1408 -5.40646 25.1407 40.8479 GPRESSAVG: 4845400 -48.6176 -6.47566 -4.67547 -8.91361 -6.43643 27.0718 -6.15334 23.1102 40.9579 TIMING: 4845400 CPU: 14380.4, 0.00292277/step Wall: 14380.4, 0.00292277/step, 0.125517 hours remaining, 207.839844 MB of memory in use. ENERGY: 4845400 742.1063 2105.7368 1947.9352 103.7802 -206139.0285 17934.3988 0.0000 0.0000 34337.6890 -148967.3822 299.8796 -183305.0712 -148871.1706 300.2458 54.7725 88.3076 557756.9854 -4.6586 -4.6987 PRESSURE: 4845600 78.0285 -92.7128 181.989 -92.7128 144.111 -102.582 181.987 -102.583 -230.312 GPRESSURE: 4845600 94.9997 -75.7124 176.732 -96.142 157.392 -61.1124 112.838 -154.152 -155.26 PRESSAVG: 4845600 -0.100851 -3.40293 64.9418 -3.40297 54.8704 -24.3558 64.9417 -24.3559 -45.2968 GPRESSAVG: 4845600 0.221413 -1.51643 63.9061 -2.59985 55.2446 -24.4029 63.3925 -24.0808 -45.3274 TIMING: 4845600 CPU: 14381, 0.00294854/step Wall: 14381, 0.00294854/step, 0.12646 hours remaining, 207.839844 MB of memory in use. ENERGY: 4845600 755.8830 2054.2271 1930.6939 121.8185 -205643.2434 17710.4835 0.0000 0.0000 34210.8984 -148859.2392 298.7723 -183070.1375 -148761.3482 299.5126 -2.7240 32.3773 558292.5668 3.1576 3.3795 PRESSURE: 4845800 0.289063 111.093 -99.4309 111.093 -196.563 -35.8437 -99.4302 -35.8426 137.833 GPRESSURE: 4845800 74.3029 232.093 -35.7766 0.337726 -212.1 -23.9023 -85.6079 -67.6929 186.466 PRESSAVG: 4845800 -12.9728 1.06529 29.3019 1.06531 -45.7933 -36.1706 29.3019 -36.1705 24.874 GPRESSAVG: 4845800 -12.5198 0.87217 26.8738 0.0427047 -45.5712 -36.0619 32.6841 -35.836 25.192 TIMING: 4845800 CPU: 14381.6, 0.00294729/step Wall: 14381.6, 0.00294729/step, 0.126242 hours remaining, 207.839844 MB of memory in use. ENERGY: 4845800 719.6618 2070.3187 1939.6370 107.5554 -205998.4153 17831.1681 0.0000 0.0000 34478.9929 -148851.0815 301.1136 -183330.0744 -148742.1084 299.8854 -19.4803 16.2230 558740.3999 -11.2974 -10.9663 PRESSURE: 4846000 -226.531 -135.768 15.0546 -135.767 -240.686 -28.0493 15.0532 -28.0492 -192.731 GPRESSURE: 4846000 -268.779 -177.243 29.2512 -136.563 -184.718 -127.341 -64.2057 0.113729 -106.288 PRESSAVG: 4846000 41.0358 -19.6572 11.0675 -19.6572 -76.5673 29.1188 11.0675 29.1188 3.32824 GPRESSAVG: 4846000 40.2879 -20.5833 12.5111 -20.3517 -75.6258 28.9271 9.39861 28.0167 3.46737 TIMING: 4846000 CPU: 14382.1, 0.00291919/step Wall: 14382.1, 0.00291919/step, 0.124877 hours remaining, 207.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4846000 742.6746 2106.1481 1913.2595 122.0728 -205521.4257 17410.3230 0.0000 0.0000 34430.6538 -148796.2939 300.6915 -183226.9478 -148698.5338 299.6423 -219.9822 -186.5950 558884.5109 -10.7344 -10.6235 PRESSURE: 4846200 -291.791 4.20079 -28.0039 4.20114 -222.203 58.2743 -28.0041 58.2735 81.4305 GPRESSURE: 4846200 -271.387 42.5081 -57.5153 -71.749 -195.826 28.8322 54.7795 64.783 143.642 PRESSAVG: 4846200 -16.0517 -31.6032 -30.8282 -31.6033 3.4943 -30.0502 -30.8282 -30.0502 34.8797 GPRESSAVG: 4846200 -15.0601 -30.8067 -29.5176 -30.3606 3.14713 -28.3152 -31.388 -29.4601 33.7955 TIMING: 4846200 CPU: 14382.7, 0.00291061/step Wall: 14382.7, 0.00291061/step, 0.124348 hours remaining, 207.839844 MB of memory in use. ENERGY: 4846200 767.5698 2123.2577 1944.4484 113.7491 -205743.8594 17561.7704 0.0000 0.0000 34315.3146 -148917.7495 299.6842 -183233.0640 -148828.3436 299.7775 -144.1877 -107.8570 558000.9565 7.4408 7.2942 PRESSURE: 4846400 -113.637 -27.6902 -44.7734 -27.691 -169.336 121.041 -44.7737 121.04 -248.673 GPRESSURE: 4846400 -123.56 -29.4168 -32.9116 -76.9669 -129.164 7.21477 -120.439 168.169 -184.962 PRESSAVG: 4846400 37.2239 -15.9835 17.3339 -15.9835 7.3314 31.8455 17.3338 31.8454 -38.2203 GPRESSAVG: 4846400 37.1249 -17.9118 16.8498 -14.6185 7.46386 30.789 18.1389 33.2123 -37.625 TIMING: 4846400 CPU: 14383.3, 0.00293257/step Wall: 14383.3, 0.00293257/step, 0.125123 hours remaining, 207.839844 MB of memory in use. ENERGY: 4846400 766.0726 2071.5035 1916.4858 113.8633 -205551.3041 17476.9415 0.0000 0.0000 34340.8323 -148865.6050 299.9070 -183206.4374 -148760.1991 299.8451 -177.2153 -145.8951 558042.0298 2.1117 2.3213 PRESSURE: 4846600 -89.641 -124.76 -104.525 -124.761 -64.7782 -94.7308 -104.524 -94.7299 -170.912 GPRESSURE: 4846600 -107.363 48.9795 -129.163 -203.795 -13.0779 -103.947 -133.266 -22.1677 -115.756 PRESSAVG: 4846600 31.2097 -0.209983 -29.2815 -0.209985 31.2789 -36.6999 -29.2817 -36.7001 -39.621 GPRESSAVG: 4846600 31.4136 2.13422 -28.8547 -1.14315 30.7753 -37.904 -30.8299 -38.9374 -39.7066 TIMING: 4846600 CPU: 14383.9, 0.00293245/step Wall: 14383.9, 0.00293245/step, 0.124955 hours remaining, 207.839844 MB of memory in use. ENERGY: 4846600 743.2610 2140.1994 1943.1786 110.9432 -205646.3570 17532.7112 0.0000 0.0000 34282.7156 -148893.3479 299.3995 -183176.0636 -148794.1503 299.6260 -108.4438 -78.7322 557606.2789 7.6225 7.4941 PRESSURE: 4846800 -100.428 96.2374 95.8796 96.2376 0.365788 36.5716 95.8813 36.5712 -221.661 GPRESSURE: 4846800 -139.172 126.592 100.007 178.457 68.0788 3.98024 97.0615 16.0538 -135.573 PRESSAVG: 4846800 30.9345 40.7949 -21.8412 40.7949 -13.3167 -45.7457 -21.8411 -45.7457 14.3541 GPRESSAVG: 4846800 29.9951 40.7948 -20.8109 40.1035 -13.1883 -45.8778 -23.1901 -43.3336 14.9505 TIMING: 4846800 CPU: 14384.5, 0.00293321/step Wall: 14384.5, 0.00293321/step, 0.124824 hours remaining, 207.839844 MB of memory in use. ENERGY: 4846800 735.9136 2061.7744 1906.9614 110.1253 -205605.4994 17617.2387 0.0000 0.0000 34308.8636 -148864.6225 299.6278 -183173.4860 -148753.5410 300.0729 -107.2410 -68.8888 559479.1660 10.6573 10.5857 PRESSURE: 4847000 -162.881 79.3031 -95.4889 79.3029 16.2799 -25.4576 -95.4893 -25.4563 -274.757 GPRESSURE: 4847000 -83.766 48.6384 -93.2107 143.473 25.9426 -30.5727 -93.597 46.6345 -245.755 PRESSAVG: 4847000 118.094 70.3541 -14.6475 70.354 -63.103 -63.3023 -14.6474 -63.3024 -71.5926 GPRESSAVG: 4847000 118.397 68.0677 -16.8143 71.4718 -61.911 -62.9724 -12.6094 -65.3634 -72.8097 TIMING: 4847000 CPU: 14385.1, 0.00293063/step Wall: 14385.1, 0.00293063/step, 0.124552 hours remaining, 207.839844 MB of memory in use. ENERGY: 4847000 727.4913 2086.9520 1939.7418 113.3668 -205731.5558 17556.3782 0.0000 0.0000 34324.2367 -148983.3891 299.7621 -183307.6257 -148877.5024 299.6402 -140.4526 -101.1927 559015.9220 -5.5337 -5.4411 PRESSURE: 4847200 -127.004 138.939 8.63622 138.939 27.0594 -76.4875 8.63736 -76.4877 145.636 GPRESSURE: 4847200 -90.5037 193.574 6.20532 78.7815 77.4038 -60.4284 -12.4095 -54.508 150.237 PRESSAVG: 4847200 -4.01831 -10.1491 34.4901 -10.1491 -3.10379 -53.6719 34.4902 -53.672 -5.34588 GPRESSAVG: 4847200 -4.25991 -11.296 33.9969 -9.07782 -3.36203 -53.9327 35.3452 -52.6138 -4.54732 TIMING: 4847200 CPU: 14385.7, 0.00292448/step Wall: 14385.7, 0.00292448/step, 0.124128 hours remaining, 207.839844 MB of memory in use. ENERGY: 4847200 748.4751 2113.6276 1955.5605 116.6220 -206108.0449 17775.4811 0.0000 0.0000 34336.4567 -149061.8218 299.8688 -183398.2785 -148966.9452 300.2440 15.2305 45.7123 557865.4029 -4.1560 -4.0564 PRESSURE: 4847400 89.9303 165.081 57.9117 165.082 60.8012 -106.917 57.9104 -106.919 -100.433 GPRESSURE: 4847400 172.993 125.204 151.633 180.289 99.4702 -13.2542 -31.6233 -199.846 -129.366 PRESSAVG: 4847400 19.8719 42.3022 -25.4542 42.3023 -1.87615 -74.0469 -25.4541 -74.0469 -3.99845 GPRESSAVG: 4847400 19.8812 44.4352 -23.993 41.7562 -1.69079 -75.3666 -26.0666 -72.9613 -4.50059 TIMING: 4847400 CPU: 14386.2, 0.00294336/step Wall: 14386.2, 0.00294336/step, 0.124766 hours remaining, 207.839844 MB of memory in use. ENERGY: 4847400 741.2607 2144.4410 1909.0462 109.5505 -206556.7446 18042.4913 0.0000 0.0000 34540.6399 -149069.3150 301.6520 -183609.9549 -148973.2582 299.5026 16.7662 47.6990 557859.2809 4.6658 4.5633 PRESSURE: 4847600 -110.715 27.0157 128.174 27.0173 69.7548 43.9257 128.175 43.9253 149.95 GPRESSURE: 4847600 -72.296 73.8125 147.974 -42.7776 109.597 126.297 168.225 47.6331 164.515 PRESSAVG: 4847600 46.6724 26.7037 -22.2687 26.7037 -11.7767 30.2323 -22.2687 30.2322 -40.6488 GPRESSAVG: 4847600 47.5213 24.632 -24.1796 26.0694 -13.1569 29.6055 -20.6473 30.9114 -39.7091 TIMING: 4847600 CPU: 14386.8, 0.00297405/step Wall: 14386.8, 0.00297405/step, 0.125901 hours remaining, 207.839844 MB of memory in use. ENERGY: 4847600 736.0303 2129.1000 1919.9651 114.4395 -206038.2968 17740.2578 0.0000 0.0000 34314.5847 -149083.9195 299.6778 -183398.5042 -148985.5591 299.3239 36.3299 67.2722 557499.3177 -1.9177 -1.7816 PRESSURE: 4847800 -102.182 -56.5724 6.31149 -56.5738 -345.231 17.4566 6.31005 17.4557 127.915 GPRESSURE: 4847800 -23.9091 -51.9159 -23.0327 -108.324 -309.189 36.8982 68.8752 -15.2248 117.916 PRESSAVG: 4847800 -42.3188 50.107 41.0828 50.1069 -5.31047 6.93898 41.0827 6.93915 35.0333 GPRESSAVG: 4847800 -42.3623 52.8063 40.6191 49.5289 -4.57286 11.0407 40.1145 4.29814 34.2972 TIMING: 4847800 CPU: 14387.4, 0.00295032/step Wall: 14387.4, 0.00295032/step, 0.124733 hours remaining, 207.839844 MB of memory in use. ENERGY: 4847800 762.8089 2061.7650 1911.9926 115.8995 -205733.3639 17447.2329 0.0000 0.0000 34198.8724 -149234.7925 298.6673 -183433.6650 -149141.2402 299.4055 -106.4996 -71.7273 557273.9094 -4.1986 -4.2127 PRESSURE: 4848000 89.1248 24.7383 177.988 24.737 383.74 -8.73743 177.988 -8.7373 16.8324 GPRESSURE: 4848000 104.954 25.0277 155.081 105.787 380.052 -93.7398 206.673 -8.64798 107.342 PRESSAVG: 4848000 -79.544 -12.3288 -23.7588 -12.3289 37.5408 -1.33234 -23.7588 -1.33234 29.3648 GPRESSAVG: 4848000 -79.6585 -12.6368 -23.7357 -10.6955 37.8875 -5.09421 -24.6795 0.175355 28.9501 TIMING: 4848000 CPU: 14388, 0.00295531/step Wall: 14388, 0.00295531/step, 0.12478 hours remaining, 207.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4848000 750.8398 2125.6058 1926.9707 117.6064 -206355.0273 17996.5809 0.0000 0.0000 34273.3584 -149164.0651 299.3178 -183437.4236 -149064.4995 298.9630 163.2323 197.4495 555972.1020 -4.2128 -4.2736 PRESSURE: 4848200 12.4858 35.5391 14.0699 35.5393 278.511 -2.05157 14.0712 -2.05266 9.44435 GPRESSURE: 4848200 0.188441 21.597 20.9208 -54.201 329.357 21.3501 -9.19424 5.97835 73.6246 PRESSAVG: 4848200 -20.376 -41.8538 -2.76315 -41.8538 10.0762 -41.9106 -2.7632 -41.9107 55.9612 GPRESSAVG: 4848200 -19.0835 -42.2893 -1.83934 -43.466 9.24176 -38.5139 -3.56978 -43.9663 55.4871 TIMING: 4848200 CPU: 14388.6, 0.00294126/step Wall: 14388.6, 0.00294126/step, 0.124023 hours remaining, 207.839844 MB of memory in use. ENERGY: 4848200 758.0199 2087.8819 1943.6690 116.4791 -206410.4318 17930.3412 0.0000 0.0000 34215.7697 -149358.2709 298.8148 -183574.0407 -149263.5984 299.3801 100.1471 134.3901 556490.8412 15.2205 15.2151 LDB: ============= START OF LOAD BALANCING ============== 14392.1 LDB: ============== END OF LOAD BALANCING =============== 14392.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14392.1 LDB: ============= START OF LOAD BALANCING ============== 14392.4 LDB: Largest compute 4802 load 0.022413 is 18.9% of average load 0.118315 LDB: Average compute 0.001713 is 1.4% of average load 0.118315 LDB: TIME 14392.4 LOAD: AVG 0.118315 MAX 0.194795 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.406 MB LDB: TIME 14392.4 LOAD: AVG 0.118315 MAX 0.194795 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.605 MB LDB: TIME 14392.4 LOAD: AVG 0.118315 MAX 0.194795 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.605 MB LDB: ============== END OF LOAD BALANCING =============== 14392.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14392.5 PRESSURE: 4848400 -335.472 -61.8547 5.04732 -61.8544 -168.477 -96.4117 5.04719 -96.4117 192.454 GPRESSURE: 4848400 -204.13 -24.0464 -80.8918 -90.5968 -141.982 -104.157 -15.6685 -13.8595 145.025 PRESSAVG: 4848400 -17.9444 -2.73582 20.7329 -2.73577 69.0312 24.0946 20.7328 24.0947 -25.9736 GPRESSAVG: 4848400 -18.9394 -0.670825 19.7819 -2.76599 69.2383 23.0587 22.4324 24.6241 -25.4121 TIMING: 4848400 CPU: 14389.2, 0.00298827/step Wall: 14389.2, 0.00298827/step, 0.125839 hours remaining, 209.121094 MB of memory in use. ENERGY: 4848400 760.1886 2098.8959 1951.2239 109.7148 -206218.8252 17776.0422 0.0000 0.0000 34103.0671 -149419.6926 297.8306 -183522.7597 -149317.7380 298.8181 -103.8321 -67.0289 556971.6499 8.3711 8.2956 PRESSURE: 4848600 -185.428 118 -15.2296 118.001 -155.242 -186.488 -15.2295 -186.489 -164.608 GPRESSURE: 4848600 -160.389 0.34025 -38.419 131.893 -108.84 -186.651 -62.0015 -147.009 -139.56 PRESSAVG: 4848600 -89.6702 9.07353 25.8615 9.07355 106.368 -5.59255 25.8615 -5.59259 27.7003 GPRESSAVG: 4848600 -90.2034 8.61454 26.7528 8.36874 107.453 -6.83289 25.0486 -5.15609 26.7846 TIMING: 4848600 CPU: 14389.8, 0.00293199/step Wall: 14389.8, 0.00293199/step, 0.123306 hours remaining, 209.121094 MB of memory in use. ENERGY: 4848600 726.2232 2134.9968 1926.7794 122.5017 -206270.3229 17656.7793 0.0000 0.0000 34251.5434 -149451.4991 299.1272 -183703.0425 -149353.0601 298.6936 -168.4263 -136.2630 557583.7744 14.7993 14.6782 PRESSURE: 4848800 251.382 95.2811 147.459 95.2826 -76.3224 -12.2625 147.46 -12.2611 -1.06851 GPRESSURE: 4848800 259.363 129.316 158.247 88.1239 -77.515 -70.0148 68.4099 5.18667 93.0598 PRESSAVG: 4848800 -18.9084 10.5884 -17.3725 10.5885 -1.10682 -29.1441 -17.3726 -29.144 53.9819 GPRESSAVG: 4848800 -19.374 8.15636 -16.0251 10.9611 -1.73364 -28.9185 -17.4392 -29.2265 54.3279 TIMING: 4848800 CPU: 14390.4, 0.0029324/step Wall: 14390.4, 0.0029324/step, 0.123161 hours remaining, 209.121094 MB of memory in use. ENERGY: 4848800 728.1620 2102.2822 1941.7756 119.9459 -206763.1875 18099.6352 0.0000 0.0000 34210.7785 -149560.6083 298.7712 -183771.3868 -149461.2726 298.9350 57.9971 91.6359 557034.2477 11.3222 11.0734 PRESSURE: 4849000 16.5248 103.493 -230.811 103.493 25.8781 11.3874 -230.811 11.3869 100.831 GPRESSURE: 4849000 54.1745 -2.46821 -225.986 160.932 62.5141 -44.4269 -169.66 71.4168 127.925 PRESSAVG: 4849000 -16.5342 15.7714 -22.7507 15.7715 0.968598 -21.0837 -22.7507 -21.0836 17.4199 GPRESSAVG: 4849000 -17.2115 15.1356 -22.7263 16.0901 1.10256 -21.9873 -24.461 -19.7646 17.3445 TIMING: 4849000 CPU: 14391, 0.00296048/step Wall: 14391, 0.00296048/step, 0.124176 hours remaining, 209.121094 MB of memory in use. ENERGY: 4849000 715.6684 2107.0875 1912.8171 109.5297 -206529.5661 18018.0899 0.0000 0.0000 34194.5702 -149471.8033 298.6297 -183666.3735 -149381.7025 298.5628 47.7448 81.5380 557029.4845 0.6181 0.4119 PRESSURE: 4849200 -345.71 6.8413 14.5678 6.84143 69.0305 -126.496 14.5676 -126.497 -172.442 GPRESSURE: 4849200 -341.008 -37.3401 15.9257 83.5139 109.808 -133.182 -1.20162 -81.0734 -134.081 PRESSAVG: 4849200 -64.926 11.2334 -12.3619 11.2333 1.96786 -1.53552 -12.362 -1.53558 46.3067 GPRESSAVG: 4849200 -64.3237 11.8063 -11.6378 12.0322 0.579942 0.905892 -11.1608 -3.54711 47.0175 TIMING: 4849200 CPU: 14391.6, 0.00293493/step Wall: 14391.6, 0.00293493/step, 0.122941 hours remaining, 209.121094 MB of memory in use. ENERGY: 4849200 771.5219 2118.9516 1936.7475 113.0255 -206348.2821 17738.0617 0.0000 0.0000 34104.2921 -149565.6818 297.8413 -183669.9739 -149476.6092 298.3835 -149.7073 -121.7601 558331.8376 -5.5505 -5.5754 PRESSURE: 4849400 -340.915 -53.1088 61.1319 -53.1082 -173.591 16.8626 61.1313 16.862 2.41527 GPRESSURE: 4849400 -244.477 -89.5858 106.704 2.40088 -200.959 -38.9157 53.6964 37.2157 27.3809 PRESSAVG: 4849400 -38.0519 19.6522 12.8999 19.6522 -8.97923 -35.7228 12.8999 -35.7227 7.89154 GPRESSAVG: 4849400 -37.5424 19.2227 10.5413 18.8868 -7.74602 -37.263 13.2791 -34.5272 6.07783 TIMING: 4849400 CPU: 14392.1, 0.00293539/step Wall: 14392.1, 0.00293539/step, 0.122797 hours remaining, 209.121094 MB of memory in use. ENERGY: 4849400 748.1991 2073.3739 1921.7753 102.8151 -206250.7492 17707.1069 0.0000 0.0000 34085.1218 -149612.3571 297.6738 -183697.4788 -149518.2583 298.3379 -170.6968 -139.3519 559359.3037 -13.0465 -13.0702 PRESSURE: 4849600 188.251 54.4314 23.9865 54.4304 185.434 -81.7098 23.9851 -81.7092 372.83 GPRESSURE: 4849600 191.982 69.1735 69.3622 53.0286 310.456 -108.239 -27.3146 9.24783 339.268 PRESSAVG: 4849600 -73.2417 -3.17904 23.5761 -3.17893 -10.2484 19.5946 23.576 19.5945 61.9235 GPRESSAVG: 4849600 -74.8212 -0.103885 23.6413 -5.04637 -10.082 21.7429 23.6104 18.9084 63.4988 TIMING: 4849600 CPU: 14392.7, 0.00294504/step Wall: 14392.7, 0.00294504/step, 0.123037 hours remaining, 209.121094 MB of memory in use. ENERGY: 4849600 719.1925 2007.9420 1918.1366 111.4920 -206805.6071 18260.8675 0.0000 0.0000 34307.7010 -149480.2756 299.6177 -183787.9766 -149386.9818 298.1552 248.8385 280.5689 556670.0733 -7.1889 -7.1348 PRESSURE: 4849800 -51.6616 93.3949 -14.0848 93.3945 -66.6441 48.8043 -14.0843 48.8033 -41.8169 GPRESSURE: 4849800 -8.95501 15.6998 -29.5765 165.561 -48.2645 108.124 -63.1943 -26.4444 -17.5675 PRESSAVG: 4849800 -26.1204 -14.7924 -24.3032 -14.7924 12.9008 -32.591 -24.3032 -32.591 75.9928 GPRESSAVG: 4849800 -24.6869 -17.0182 -24.1181 -13.5638 12.4871 -33.7146 -22.0795 -32.2595 74.8442 TIMING: 4849800 CPU: 14393.3, 0.00293063/step Wall: 14393.3, 0.00293062/step, 0.122272 hours remaining, 209.121094 MB of memory in use. ENERGY: 4849800 778.4499 2016.2416 1937.4566 116.6968 -206312.0943 17922.9045 0.0000 0.0000 34155.0281 -149385.3168 298.2844 -183540.3450 -149293.5932 298.8298 -53.3742 -24.9290 558146.0977 20.9244 20.8815 PRESSURE: 4850000 -177.441 40.1674 1.02555 40.1669 -194.787 -68.8643 1.02583 -68.8651 -158.292 GPRESSURE: 4850000 -113.037 89.7965 47.0376 80.7456 -202.809 -12.3617 72.7884 -46.3566 -108.189 PRESSAVG: 4850000 -6.77127 -35.1361 6.61861 -35.136 1.94748 -27.9859 6.61861 -27.9859 4.69239 GPRESSAVG: 4850000 -7.24544 -34.8168 7.40972 -32.8195 1.07891 -29.9342 5.12888 -27.5045 6.36082 TIMING: 4850000 CPU: 14393.9, 0.00292447/step Wall: 14393.9, 0.00292447/step, 0.121853 hours remaining, 209.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4850000 776.3351 2059.9319 1905.7353 130.6959 -206295.7353 17759.0014 0.0000 0.0000 34398.0598 -149265.9758 300.4068 -183664.0356 -149173.8882 299.2762 -176.8396 -141.3450 557092.2974 -0.0438 0.0648 PRESSURE: 4850200 -17.5414 22.8586 -32.1564 22.8586 18.2583 -101.621 -32.1583 -101.622 -93.143 GPRESSURE: 4850200 58.9558 81.6175 -47.2435 -49.7058 84.3204 -41.3891 -83.6071 -153.887 -135.702 PRESSAVG: 4850200 38.3367 25.2654 23.0687 25.2653 -23.0668 -51.3577 23.0686 -51.3577 24.4212 GPRESSAVG: 4850200 38.7941 25.3164 21.7349 23.3667 -22.2129 -49.3938 22.3497 -52.6672 23.0698 TIMING: 4850200 CPU: 14394.5, 0.00294009/step Wall: 14394.5, 0.00294009/step, 0.12234 hours remaining, 209.121094 MB of memory in use. ENERGY: 4850200 755.4832 2029.6284 1929.1200 120.5166 -206232.3765 17719.7250 0.0000 0.0000 34472.2823 -149205.6210 301.0550 -183677.9034 -149103.3000 299.6346 -30.8087 2.5245 555936.1725 13.2304 13.2170 PRESSURE: 4850400 -111.088 -78.0584 -49.7189 -78.0591 -153.994 44.6222 -49.7186 44.6207 12.0023 GPRESSURE: 4850400 -121.263 -29.5895 -44.662 -155.298 -67.1382 -8.65527 -156.477 -8.42899 38.0015 PRESSAVG: 4850400 27.5239 0.342712 46.0519 0.342755 -5.98898 -16.0826 46.0519 -16.0824 32.33 GPRESSAVG: 4850400 26.5679 -1.48111 47.2964 0.9573 -5.8078 -15.4256 45.2624 -16.0715 33.7135 TIMING: 4850400 CPU: 14395.1, 0.00293718/step Wall: 14395.1, 0.00293718/step, 0.122056 hours remaining, 209.121094 MB of memory in use. ENERGY: 4850400 760.4190 2009.4490 1945.2824 115.0009 -206035.1531 17610.9980 0.0000 0.0000 34416.5100 -149177.4938 300.5679 -183594.0038 -149083.3864 299.7993 -84.3599 -50.1333 558434.4772 17.9550 18.1579 PRESSURE: 4850600 -77.1396 -39.1368 -11.6457 -39.1371 70.664 -44.0291 -11.6451 -44.0284 -208.602 GPRESSURE: 4850600 -24.8198 -99.045 56.3359 -1.25231 56.1597 -45.7803 -58.507 0.209291 -151.381 PRESSAVG: 4850600 74.207 -18.4054 20.4397 -18.4053 -60.0896 -15.1106 20.4398 -15.1106 5.56027 GPRESSAVG: 4850600 75.8309 -16.6062 19.7797 -19.4158 -60.8824 -16.7351 21.728 -14.5999 4.97184 TIMING: 4850600 CPU: 14395.7, 0.0029237/step Wall: 14395.7, 0.0029237/step, 0.121333 hours remaining, 209.121094 MB of memory in use. ENERGY: 4850600 732.3192 2056.7134 1919.6611 100.8504 -206139.2048 17801.2008 0.0000 0.0000 34364.8723 -149163.5875 300.1170 -183528.4599 -149070.0442 299.4101 -71.6926 -40.0137 559379.9406 6.5592 6.6401 PRESSURE: 4850800 91.9227 134.059 -41.5978 134.059 85.9441 87.1324 -41.5967 87.1336 97.1087 GPRESSURE: 4850800 89.77 107.6 -15.8492 100.026 160.136 99.8353 -84.2759 52.1949 115.903 PRESSAVG: 4850800 57.8489 -74.0585 -18.3941 -74.0585 -22.862 3.8293 -18.394 3.82938 -34.0791 GPRESSAVG: 4850800 56.6761 -74.9846 -17.1815 -73.6309 -22.7695 5.30214 -19.8381 5.46275 -33.032 TIMING: 4850800 CPU: 14396.2, 0.00291626/step Wall: 14396.2, 0.00291626/step, 0.120863 hours remaining, 209.121094 MB of memory in use. ENERGY: 4850800 697.4958 2090.7035 1931.8726 114.2442 -206376.2552 17951.1302 0.0000 0.0000 34403.2521 -149187.5568 300.4522 -183590.8088 -149091.7972 299.3653 91.6585 121.9365 558749.0742 0.3026 0.2915 PRESSURE: 4851000 97.0467 47.853 14.5703 47.8533 -134.913 -31.6732 14.5712 -31.6713 -88.4262 GPRESSURE: 4851000 109.994 -3.59672 25.249 97.6444 -74.9996 -41.0015 17.3644 39.481 -72.2953 PRESSAVG: 4851000 20.8705 12.4108 -1.62964 12.4109 3.02568 -14.9496 -1.62977 -14.9496 -55.1159 GPRESSAVG: 4851000 20.9133 12.6564 -4.61528 13.1657 3.06744 -16.5459 0.042657 -15.8264 -55.3382 TIMING: 4851000 CPU: 14396.8, 0.00292214/step Wall: 14396.8, 0.00292214/step, 0.120944 hours remaining, 209.121094 MB of memory in use. ENERGY: 4851000 732.2561 2075.2031 1936.4601 111.8323 -205987.8209 17802.3661 0.0000 0.0000 34221.5778 -149108.1254 298.8656 -183329.7032 -149017.1064 299.0381 -42.0976 -12.4338 558571.2528 -10.4066 -10.4525 PRESSURE: 4851200 31.5082 5.9121 15.1943 5.91155 -58.1383 -66.8321 15.1943 -66.8317 41.958 GPRESSURE: 4851200 45.2031 53.3691 -62.9871 -75.1587 -1.53883 -104.902 28.3983 23.0625 73.5193 PRESSAVG: 4851200 -5.01713 1.53154 28.3379 1.53158 -100.494 21.4525 28.3379 21.4524 42.8666 GPRESSAVG: 4851200 -5.94197 3.48263 30.2453 -0.418527 -99.3171 22.5278 29.6624 20.0232 43.0557 TIMING: 4851200 CPU: 14397.4, 0.00290351/step Wall: 14397.4, 0.00290351/step, 0.120012 hours remaining, 209.121094 MB of memory in use. ENERGY: 4851200 763.5923 2059.7198 1910.8616 104.6425 -206280.5269 17951.5999 0.0000 0.0000 34449.7218 -149040.3890 300.8580 -183490.1109 -148941.4314 299.7279 5.1093 39.0612 557048.6734 -20.8814 -20.7344 PRESSURE: 4851400 -244.475 142.831 -50.7822 142.832 -377.314 5.87742 -50.7803 5.87647 -9.37294 GPRESSURE: 4851400 -226.85 159.852 -71.0541 124.993 -347.858 8.40061 -0.0716145 71.7939 42.5172 PRESSAVG: 4851400 35.0452 -6.82641 42.6629 -6.82644 -3.85054 13.6556 42.6628 13.6556 20.6434 GPRESSAVG: 4851400 35.6425 -7.54014 41.9909 -6.17427 -5.23864 13.4656 40.8541 14.6403 21.148 TIMING: 4851400 CPU: 14398, 0.00292597/step Wall: 14398, 0.00292597/step, 0.120778 hours remaining, 209.121094 MB of memory in use. ENERGY: 4851400 709.8769 2107.1795 1930.4954 119.8832 -205848.1438 17522.2005 0.0000 0.0000 34426.6976 -149031.8105 300.6569 -183458.5082 -148938.1103 300.2205 -210.3873 -177.3967 557186.9658 17.2794 17.1840 PRESSURE: 4851600 40.8865 25.9427 -101.96 25.9429 -11.2329 -60.5367 -101.961 -60.5364 74.1898 GPRESSURE: 4851600 99.296 17.0904 -102.981 48.9093 2.0374 -60.7516 -37.3448 -20.4525 91.2394 PRESSAVG: 4851600 -22.5221 49.8145 -13.0589 49.8145 6.69284 3.11121 -13.0588 3.11122 5.8332 GPRESSAVG: 4851600 -22.658 48.2412 -12.4449 51.8992 7.10358 1.6438 -11.9022 4.65991 5.62596 TIMING: 4851600 CPU: 14398.6, 0.00296105/step Wall: 14398.6, 0.00296105/step, 0.122061 hours remaining, 209.121094 MB of memory in use. ENERGY: 4851600 733.5202 2098.9647 1923.4786 105.2522 -206266.8264 18027.4704 0.0000 0.0000 34176.0329 -149202.1075 298.4678 -183378.1404 -149111.4248 299.4382 34.6145 64.1909 556812.7912 -3.3320 -3.3095 PRESSURE: 4851800 -275.911 -68.2281 -81.7896 -68.2272 -287.277 -140.52 -81.7899 -140.522 -135.805 GPRESSURE: 4851800 -243.526 -68.2618 -59.893 -61.6677 -242.984 -162.87 -120.762 -81.4503 -106.165 PRESSAVG: 4851800 -53.2159 -2.24078 -27.6923 -2.2406 29.5797 -39.1781 -27.6923 -39.1781 87.812 GPRESSAVG: 4851800 -52.0862 -1.24666 -27.0762 -3.52932 29.0583 -39.6421 -28.1984 -40.1677 87.102 TIMING: 4851800 CPU: 14399.2, 0.00292789/step Wall: 14399.2, 0.00292789/step, 0.120531 hours remaining, 209.121094 MB of memory in use. ENERGY: 4851800 747.8017 2043.7942 1927.8778 116.4450 -205981.5595 17642.7700 0.0000 0.0000 34299.8430 -149203.0277 299.5491 -183502.8708 -149109.1203 299.0309 -232.9977 -197.5583 558495.3988 21.3919 21.3580 PRESSURE: 4852000 213.809 27.8931 51.0784 27.8912 -0.8126 107.67 51.0788 107.67 40.6296 GPRESSURE: 4852000 264.301 -39.652 39.5108 6.40656 61.9306 172.342 31.211 94.4439 37.6082 PRESSAVG: 4852000 -69.5906 12.5094 16.2709 12.5094 -11.6938 -68.9234 16.2709 -68.9234 84.4072 GPRESSAVG: 4852000 -69.9872 10.9352 15.8012 13.1078 -10.2307 -66.5958 17.5662 -70.0754 83.3979 TIMING: 4852000 CPU: 14399.8, 0.00291361/step Wall: 14399.8, 0.00291361/step, 0.119782 hours remaining, 209.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4852000 730.3313 2073.4015 1934.5509 124.2396 -205861.9272 17825.0326 0.0000 0.0000 34014.6434 -149159.7279 297.0583 -183174.3713 -149066.3376 298.9606 84.5421 121.2800 558927.7273 1.0409 1.0600 PRESSURE: 4852200 -0.8844 -49.5769 27.7572 -49.5772 -148.96 70.0568 27.7564 70.0597 -31.0733 GPRESSURE: 4852200 8.82691 15.0662 4.5064 -31.5028 -144.726 106.675 13.3677 156.241 61.5755 PRESSAVG: 4852200 58.4982 -3.67351 16.7634 -3.67354 -74.1125 63.6838 16.7635 63.6839 59.2351 GPRESSAVG: 4852200 58.4351 -3.4461 18.2213 -4.44965 -74.5099 61.9949 13.5927 65.9121 59.4537 TIMING: 4852200 CPU: 14400.3, 0.00291562/step Wall: 14400.3, 0.00291562/step, 0.119702 hours remaining, 209.121094 MB of memory in use. ENERGY: 4852200 721.0856 2078.2929 1917.8528 105.6404 -205828.4538 17692.3969 0.0000 0.0000 34153.7668 -149159.4185 298.2733 -183313.1853 -149061.2592 298.7221 -60.3059 -24.7745 557449.5297 14.5402 14.4596 LDB: ============= START OF LOAD BALANCING ============== 14403.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14403.9 LDB: =============== DONE WITH MIGRATION ================ 14403.9 LDB: ============= START OF LOAD BALANCING ============== 14404.2 LDB: Largest compute 4802 load 0.022603 is 19.1% of average load 0.118333 LDB: Average compute 0.001721 is 1.5% of average load 0.118333 LDB: TIME 14404.2 LOAD: AVG 0.118333 MAX 0.197959 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.41 MB LDB: TIME 14404.2 LOAD: AVG 0.118333 MAX 0.197959 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.613 MB LDB: TIME 14404.2 LOAD: AVG 0.118333 MAX 0.197959 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.613 MB LDB: ============== END OF LOAD BALANCING =============== 14404.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14404.2 PRESSURE: 4852400 200.122 -124.411 26.3649 -124.411 -8.94362 -61.0063 26.365 -61.0066 37.9894 GPRESSURE: 4852400 229.259 -245.304 50.1938 -49.0523 38.7276 -41.4425 89.9388 -33.1825 70.4774 PRESSAVG: 4852400 52.2513 39.2782 56.6384 39.2782 -79.2653 21.5989 56.6385 21.5988 42.8068 GPRESSAVG: 4852400 52.016 40.9792 56.4986 38.7055 -79.4175 21.6196 58.6732 22.1876 42.9023 TIMING: 4852400 CPU: 14400.9, 0.00299179/step Wall: 14400.9, 0.00299178/step, 0.122663 hours remaining, 208.039062 MB of memory in use. ENERGY: 4852400 759.6619 2039.7432 1925.6531 117.4346 -206574.6575 18079.0212 0.0000 0.0000 34168.1484 -149484.9952 298.3989 -183653.1435 -149387.9040 299.4843 76.3892 112.8213 557247.7406 5.2643 5.1669 PRESSURE: 4852600 131.431 99.4959 12.8554 99.4944 -303.964 79.1342 12.8563 79.1354 -241.935 GPRESSURE: 4852600 162.647 130.751 33.8846 57.019 -284.137 14.8793 -48.0789 132.98 -176.555 PRESSAVG: 4852600 100.768 -4.51998 8.38701 -4.51998 -73.1272 27.9592 8.38706 27.9591 -50.6254 GPRESSAVG: 4852600 99.9831 -6.28312 9.91184 -4.45248 -72.592 26.6917 5.97 28.9448 -49.995 TIMING: 4852600 CPU: 14401.5, 0.00294806/step Wall: 14401.5, 0.00294806/step, 0.120707 hours remaining, 208.238281 MB of memory in use. ENERGY: 4852600 730.5941 2115.5858 1917.1365 118.8527 -206127.8185 17605.8608 0.0000 0.0000 34059.8061 -149579.9825 297.4528 -183639.7885 -149486.2303 297.8548 -138.1560 -99.3483 557492.2726 -7.6614 -7.5347 PRESSURE: 4852800 300.856 -74.3708 -77.0175 -74.3694 109.37 106.331 -77.0181 106.332 -164.503 GPRESSURE: 4852800 318.634 -29.0218 79.4567 -86.9731 103.897 117.128 -171.208 23.7153 -79.1885 PRESSAVG: 4852800 67.9156 31.5986 -18.3186 31.5987 -65.5879 6.69243 -18.3187 6.69246 -26.6008 GPRESSAVG: 4852800 69.4773 32.6783 -20.3065 32.0924 -67.7565 8.86612 -16.9032 4.64553 -26.2349 TIMING: 4852800 CPU: 14402.1, 0.00294618/step Wall: 14402.1, 0.00294618/step, 0.120466 hours remaining, 208.238281 MB of memory in use. ENERGY: 4852800 729.7586 2037.4368 1930.6259 103.0921 -206332.6557 17817.7194 0.0000 0.0000 34288.2741 -149425.7487 299.4480 -183714.0228 -149336.1779 298.7289 81.9074 114.4475 556041.8926 -8.0910 -8.1714 PRESSURE: 4853000 -349.713 -14.9435 66.8093 -14.9448 -84.3496 89.8886 66.8092 89.8889 -102.066 GPRESSURE: 4853000 -290.635 -32.4911 18.1441 -13.6206 -79.3351 140.063 131.329 147.079 -66.923 PRESSAVG: 4853000 -21.905 22.7295 25.4684 22.7295 -83.0672 26.6975 25.4684 26.6974 90.0113 GPRESSAVG: 4853000 -23.1873 20.1338 26.0614 24.5387 -81.3589 26.7008 26.596 27.598 89.2259 TIMING: 4853000 CPU: 14402.7, 0.00293196/step Wall: 14402.7, 0.00293196/step, 0.119722 hours remaining, 208.238281 MB of memory in use. ENERGY: 4853000 707.0681 2121.2689 1929.7269 106.5355 -206272.5590 17607.4730 0.0000 0.0000 34189.7831 -149610.7036 298.5879 -183800.4866 -149513.2708 299.0452 -178.7096 -145.6309 557906.3464 -4.9870 -5.1068 PRESSURE: 4853200 188.252 -0.575495 16.6505 -0.574732 -15.9392 -68.5128 16.6514 -68.5142 107.654 GPRESSURE: 4853200 181.997 -46.8061 5.98696 -7.83047 81.1066 -43.7931 35.3969 -45.8526 108.952 PRESSAVG: 4853200 -4.04487 28.5527 42.1184 28.5527 19.8029 19.3094 42.1185 19.3094 -57.7144 GPRESSAVG: 4853200 -3.96048 31.0282 41.2112 26.6849 19.887 19.6007 40.2616 18.4002 -57.9907 TIMING: 4853200 CPU: 14403.3, 0.00294261/step Wall: 14403.3, 0.00294261/step, 0.119993 hours remaining, 208.238281 MB of memory in use. ENERGY: 4853200 735.3334 2066.4440 1943.0792 109.5845 -206710.1869 18101.4361 0.0000 0.0000 34170.4527 -149583.8571 298.4191 -183754.3098 -149489.1948 297.3063 93.3222 124.0188 557165.6941 -13.9854 -14.0214 PRESSURE: 4853400 4.28346 123.591 -29.2233 123.592 3.48473 36.5298 -29.2234 36.5284 -208.662 GPRESSURE: 4853400 98.6364 124.204 -126.412 118.046 32.7057 70.5653 65.4938 -68.6601 -221.656 PRESSAVG: 4853400 -1.06106 -11.0619 9.23464 -11.0618 -38.7113 30.0839 9.23452 30.0839 4.48511 GPRESSAVG: 4853400 -1.60126 -9.80429 9.29217 -10.4653 -38.3559 28.8974 9.96868 29.6342 4.86474 TIMING: 4853400 CPU: 14403.9, 0.0029422/step Wall: 14403.9, 0.0029422/step, 0.119813 hours remaining, 208.238281 MB of memory in use. ENERGY: 4853400 746.1451 2093.7520 1908.4324 110.2094 -206364.7797 17885.6525 0.0000 0.0000 34094.8975 -149525.6908 297.7592 -183620.5883 -149424.5231 298.2615 -66.9646 -30.1045 556527.7887 -11.7624 -11.6975 PRESSURE: 4853600 140.078 -69.3578 68.4286 -69.3578 3.91007 61.4181 68.4285 61.4185 35.1042 GPRESSURE: 4853600 210.078 -64.9933 86.1926 -70.5874 67.232 -41.6413 28.3189 103.825 3.56801 PRESSAVG: 4853600 29.9355 -18.5939 28.5967 -18.5939 -2.30674 38.9448 28.5967 38.9448 -25.0644 GPRESSAVG: 4853600 31.106 -19.6812 27.5815 -20.0075 -2.18266 38.6949 29.2529 39.4455 -25.7432 TIMING: 4853600 CPU: 14404.5, 0.00294973/step Wall: 14404.5, 0.00294973/step, 0.119956 hours remaining, 208.238281 MB of memory in use. ENERGY: 4853600 733.7759 2097.1040 1903.1175 116.4591 -206207.2904 17875.4850 0.0000 0.0000 33929.4824 -149551.8664 296.3146 -183481.3488 -149456.4520 298.1194 59.6974 93.6261 556235.4755 0.8548 1.0600 PRESSURE: 4853800 -258.514 -178.966 107.477 -178.966 -77.4664 -241.001 107.477 -241.002 -94.6553 GPRESSURE: 4853800 -232.565 -225.354 143.146 -77.9689 -73.7325 -243.104 47.6928 -173.934 -33.4352 PRESSAVG: 4853800 58.0098 47.7484 75.6657 47.7483 -37.2308 -35.8653 75.6658 -35.8654 -6.60229 GPRESSAVG: 4853800 56.7308 46.2664 75.7833 48.1751 -39.4868 -35.3592 74.6828 -35.8305 -3.44254 TIMING: 4853800 CPU: 14405.1, 0.00296864/step Wall: 14405.1, 0.00296864/step, 0.12056 hours remaining, 208.238281 MB of memory in use. ENERGY: 4853800 736.3072 2076.9839 1945.0907 115.8566 -206033.6365 17654.8904 0.0000 0.0000 33891.6804 -149612.8273 295.9845 -183504.5077 -149516.0844 297.8610 -143.5451 -113.2444 557128.5559 4.7256 4.6005 PRESSURE: 4854000 -75.9972 -67.4339 -219.241 -67.4334 -17.1306 35.6392 -219.24 35.6406 -370.764 GPRESSURE: 4854000 -52.2114 -36.5728 -251.393 -72.4786 42.5 126.956 -194.245 78.1514 -351.817 PRESSAVG: 4854000 -6.7011 -36.3135 24.7514 -36.3135 54.6313 -38.9552 24.7514 -38.9552 -42.3738 GPRESSAVG: 4854000 -5.54031 -35.7543 25.5347 -35.886 55.7779 -38.0969 24.4125 -39.0139 -44.7621 TIMING: 4854000 CPU: 14405.7, 0.00296951/step Wall: 14405.7, 0.00296951/step, 0.12043 hours remaining, 208.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4854000 733.1532 2113.9298 1888.0523 106.1775 -206185.9239 17538.7957 0.0000 0.0000 34221.0412 -149584.7741 298.8609 -183805.8153 -149489.7853 298.4289 -154.6306 -120.5095 556578.4017 1.8521 1.8252 PRESSURE: 4854200 -242.785 9.61351 13.5023 9.61395 -189.258 84.3811 13.5019 84.3826 -109.832 GPRESSURE: 4854200 -230.646 44.2169 -18.6787 10.7196 -81.3986 122.702 116.941 2.55913 -134.025 PRESSAVG: 4854200 -43.4011 -70.9398 -17.7118 -70.9398 43.7038 30.2997 -17.7117 30.2997 24.3987 GPRESSAVG: 4854200 -42.6717 -71.1704 -17.968 -70.5299 42.5348 28.9869 -16.5165 30.0728 24.7871 TIMING: 4854200 CPU: 14406.2, 0.00294986/step Wall: 14406.2, 0.00294986/step, 0.119469 hours remaining, 208.238281 MB of memory in use. ENERGY: 4854200 748.6572 2047.1593 1915.5343 102.9941 -206110.3965 17612.6217 0.0000 0.0000 34034.4407 -149648.9892 297.2312 -183683.4299 -149559.1358 298.4991 -180.6247 -148.6897 557226.6826 8.2338 8.2167 PRESSURE: 4854400 -79.4082 -40.9837 89.3392 -40.9835 118.23 -85.5606 89.3388 -85.5605 85.4408 GPRESSURE: 4854400 4.52174 -51.0149 38.6322 73.3179 88.1344 -111.839 114.788 -59.8607 125.272 PRESSAVG: 4854400 -21.3742 -40.8308 -36.8733 -40.8308 19.9267 -24.296 -36.8733 -24.2961 33.8429 GPRESSAVG: 4854400 -22.6057 -41.7587 -35.9068 -40.9219 20.1218 -23.3547 -38.3881 -25.264 34.4187 TIMING: 4854400 CPU: 14406.8, 0.00294901/step Wall: 14406.8, 0.00294901/step, 0.119271 hours remaining, 208.238281 MB of memory in use. ENERGY: 4854400 748.4089 2127.0565 1922.5647 108.0728 -206563.2600 17952.9107 0.0000 0.0000 34394.5330 -149309.7133 300.3760 -183704.2463 -149211.3529 299.0693 41.4210 72.6428 556545.3911 10.7985 10.6449 PRESSURE: 4854600 143.057 -150.345 100.733 -150.345 180.783 156.569 100.733 156.571 150.9 GPRESSURE: 4854600 139.444 -156.14 166.494 -176.531 242.531 187.239 113.432 127.099 191.959 PRESSAVG: 4854600 29.9518 -10.0427 36.0816 -10.0427 -102.287 28.3757 36.0815 28.3757 45.0875 GPRESSAVG: 4854600 30.0418 -10.1725 34.4906 -8.77706 -101.953 26.4129 38.0726 29.9648 44.3052 TIMING: 4854600 CPU: 14407.4, 0.0029783/step Wall: 14407.4, 0.0029783/step, 0.12029 hours remaining, 208.238281 MB of memory in use. ENERGY: 4854600 738.6058 2093.6034 1930.6310 127.3603 -206688.3766 18073.6223 0.0000 0.0000 34226.5561 -149497.9977 298.9090 -183724.5538 -149396.4009 298.8131 158.2464 191.3114 557049.5313 -9.0825 -9.2020 PRESSURE: 4854800 -10.0256 -46.793 6.3933 -46.7919 -153.371 1.77395 6.39458 1.7744 -130.578 GPRESSURE: 4854800 -16.0888 -68.3049 11.0789 24.7969 -109.696 9.12721 47.1076 -10.3504 -85.5899 PRESSAVG: 4854800 29.7214 -3.16104 6.95941 -3.16106 -7.49817 38.5558 6.9595 38.5558 -7.87046 GPRESSAVG: 4854800 29.6457 -5.31656 6.55302 -3.09945 -7.66967 40.6138 8.13294 37.9156 -7.82264 TIMING: 4854800 CPU: 14408, 0.0030041/step Wall: 14408, 0.0030041/step, 0.121165 hours remaining, 208.238281 MB of memory in use. ENERGY: 4854800 732.5347 2067.9180 1922.8709 115.4002 -206396.0812 17965.9675 0.0000 0.0000 34238.4575 -149352.9323 299.0130 -183591.3898 -149258.6925 298.4793 -97.9912 -70.4582 558723.3289 4.7843 4.7178 PRESSURE: 4855000 19.3538 -116.025 -27.8629 -116.027 -44.4998 30.656 -27.8626 30.6557 -265.873 GPRESSURE: 4855000 51.0563 -132.723 -17.4788 -94.1011 -49.583 -73.4342 -112.857 4.34739 -186.621 PRESSAVG: 4855000 14.8809 0.199148 -7.96793 0.199087 -22.7783 8.16755 -7.96802 8.1676 -11.5813 GPRESSAVG: 4855000 14.5368 2.37196 -7.63639 0.294846 -23.2299 6.11913 -10.3466 8.2576 -10.9333 TIMING: 4855000 CPU: 14408.6, 0.0029902/step Wall: 14408.6, 0.0029902/step, 0.120439 hours remaining, 208.238281 MB of memory in use. ENERGY: 4855000 747.4772 2106.6992 1910.9303 113.3607 -206316.0403 17892.3848 0.0000 0.0000 34092.2730 -149452.9151 297.7363 -183545.1881 -149363.0475 298.4123 -97.0065 -61.7160 558289.9604 -6.4929 -6.5421 PRESSURE: 4855200 -47.4267 -149.067 -108.315 -149.066 63.5689 -190.679 -108.316 -190.68 242.137 GPRESSURE: 4855200 -68.2886 -139.465 -80.7424 -183.255 167.509 -214.562 -99.2093 -160.638 254.485 PRESSAVG: 4855200 -18.827 -4.22727 -15.9946 -4.22729 -22.2827 -4.82922 -15.9946 -4.8293 37.3732 GPRESSAVG: 4855200 -17.8365 -5.01055 -15.4912 -5.98319 -22.0781 -3.41568 -16.497 -4.66177 36.5301 TIMING: 4855200 CPU: 14409.2, 0.00298255/step Wall: 14409.2, 0.00298255/step, 0.119965 hours remaining, 208.238281 MB of memory in use. ENERGY: 4855200 764.0841 2073.9885 1916.0909 121.8233 -206802.4681 18119.9132 0.0000 0.0000 34263.3416 -149543.2265 299.2303 -183806.5681 -149436.5432 298.5333 86.0931 117.9017 556904.7622 -1.2455 -1.1282 PRESSURE: 4855400 41.437 -49.9755 125.675 -49.9755 -43.5263 -72.3522 125.674 -72.3516 137.779 GPRESSURE: 4855400 56.753 -28.5275 140.556 -12.458 4.21426 3.63964 144.399 -137.103 174.989 PRESSAVG: 4855400 -63.0131 9.57531 -12.4838 9.57535 -60.0028 -17.5305 -12.4837 -17.5306 107.948 GPRESSAVG: 4855400 -63.767 9.74781 -11.8693 10.1193 -58.9279 -18.6281 -11.3975 -15.6927 108.035 TIMING: 4855400 CPU: 14409.8, 0.00296317/step Wall: 14409.8, 0.00296317/step, 0.119021 hours remaining, 208.238281 MB of memory in use. ENERGY: 4855400 744.3533 2068.5074 1896.7664 125.3210 -206691.0608 17959.2137 0.0000 0.0000 34431.0034 -149465.8955 300.6945 -183896.8989 -149370.8015 299.0550 45.2300 78.6520 555307.4313 -5.0226 -4.8867 PRESSURE: 4855600 -44.7947 71.3228 -102.387 71.324 -257.379 -5.65897 -102.387 -5.65926 -193.173 GPRESSURE: 4855600 20.8427 168.39 -51.7843 20.8489 -269.838 -28.7478 -148.461 -3.40757 -168.484 PRESSAVG: 4855600 0.733126 -62.2393 27.6802 -62.2393 -15.0903 -55.1907 27.6802 -55.1906 47.7894 GPRESSAVG: 4855600 1.32325 -60.465 28.3211 -63.9981 -15.8946 -54.793 25.8606 -56.5177 47.6147 TIMING: 4855600 CPU: 14410.4, 0.00294727/step Wall: 14410.4, 0.00294727/step, 0.118218 hours remaining, 208.238281 MB of memory in use. ENERGY: 4855600 733.7430 2106.8848 1921.9288 119.2100 -206000.0074 17345.8751 0.0000 0.0000 34364.2573 -149408.1084 300.1116 -183772.3656 -149308.9731 299.3921 -165.1156 -139.1598 556111.7363 11.1441 11.0144 PRESSURE: 4855800 207.881 279.599 115.379 279.597 20.0718 -2.61467 115.378 -2.6152 -56.7975 GPRESSURE: 4855800 157.978 275.869 55.6598 218.258 99.1643 -39.1517 60.5636 -19.3249 28.7436 PRESSAVG: 4855800 -32.6583 -3.00656 -23.403 -3.00662 65.4735 14.5536 -23.4031 14.5537 -36.4096 GPRESSAVG: 4855800 -32.6329 -5.95764 -25.4713 0.37028 64.8548 14.6087 -23.8169 14.6185 -36.3802 TIMING: 4855800 CPU: 14411, 0.00295775/step Wall: 14411, 0.00295775/step, 0.118474 hours remaining, 208.238281 MB of memory in use. ENERGY: 4855800 758.6068 2128.5983 1937.7875 112.8534 -206531.5362 17898.5496 0.0000 0.0000 34314.7923 -149380.3483 299.6796 -183695.1406 -149293.3404 299.2971 57.0519 95.2952 555187.0068 -1.1981 -1.3861 PRESSURE: 4856000 -74.3698 -26.8522 -77.0527 -26.8521 102.621 -41.1372 -77.0515 -41.138 180.921 GPRESSURE: 4856000 -1.41368 2.91673 -47.1597 12.6431 104.319 -56.6622 -123.399 -20.5677 209.245 PRESSAVG: 4856000 21.7737 7.6497 27.2581 7.64979 -30.3731 23.3486 27.2582 23.3485 32.1523 GPRESSAVG: 4856000 20.8714 7.94295 27.0551 6.70442 -30.6479 25.5432 28.2969 22.9272 33.2559 TIMING: 4856000 CPU: 14411.6, 0.00293164/step Wall: 14411.6, 0.00293164/step, 0.117266 hours remaining, 208.238281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4856000 758.9301 2183.6428 1930.7620 114.1027 -206393.7686 17990.1205 0.0000 0.0000 34150.7159 -149265.4946 298.2467 -183416.2105 -149168.1967 298.9440 69.7240 104.0499 556738.5472 7.8510 7.8264 PRESSURE: 4856200 130.131 -125.235 104.427 -125.235 26.2352 -25.494 104.426 -25.4945 -161.44 GPRESSURE: 4856200 177.135 -84.2065 30.6183 -157.704 68.9949 -27.3633 159.069 -67.3017 -154.289 PRESSAVG: 4856200 13.854 -27.5629 -20.4216 -27.5629 3.59082 -12.423 -20.4215 -12.4231 -27.7691 GPRESSAVG: 4856200 15.3279 -27.4403 -18.723 -27.895 3.52567 -12.1937 -20.6423 -11.7659 -28.8765 TIMING: 4856200 CPU: 14412.2, 0.00294312/step Wall: 14412.2, 0.00294312/step, 0.117561 hours remaining, 208.238281 MB of memory in use. ENERGY: 4856200 790.6459 2131.7768 1938.1827 111.2139 -206263.6927 17872.9179 0.0000 0.0000 34122.6102 -149296.3454 298.0012 -183418.9556 -149197.2975 299.0867 -1.6914 30.6135 558858.2913 -3.4414 -3.3410 LDB: ============= START OF LOAD BALANCING ============== 14415.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14415.7 LDB: =============== DONE WITH MIGRATION ================ 14415.7 LDB: ============= START OF LOAD BALANCING ============== 14416 LDB: Largest compute 4801 load 0.023100 is 19.5% of average load 0.118276 LDB: Average compute 0.001708 is 1.4% of average load 0.118276 LDB: TIME 14416 LOAD: AVG 0.118276 MAX 0.199748 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.809 MB LDB: TIME 14416 LOAD: AVG 0.118276 MAX 0.199748 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.809 MB LDB: TIME 14416 LOAD: AVG 0.118276 MAX 0.199748 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.809 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14416 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14416 PRESSURE: 4856400 -173.049 -102.716 -11.6775 -102.716 169.4 30.189 -11.6767 30.1907 58.3486 GPRESSURE: 4856400 -156.537 -60.146 12.1657 -15.8244 198.186 33.331 -41.2885 19.7381 107.184 PRESSAVG: 4856400 -40.2759 -44.2357 -43.7154 -44.2358 -21.4425 16.5124 -43.7154 16.5124 35.7941 GPRESSAVG: 4856400 -40.328 -42.9923 -45.8406 -44.9035 -21.2534 14.7533 -42.6657 15.9967 35.4401 TIMING: 4856400 CPU: 14412.8, 0.00302424/step Wall: 14412.8, 0.00302424/step, 0.120634 hours remaining, 209.890625 MB of memory in use. ENERGY: 4856400 735.7642 2087.3812 1945.6770 126.0669 -205984.4997 17782.1652 0.0000 0.0000 34050.3749 -149257.0701 297.3704 -183307.4450 -149163.1847 299.1284 18.2335 49.6112 558187.9349 -8.6414 -8.7138 PRESSURE: 4856600 174.771 -15.6582 -70.6781 -15.6577 -92.9127 -55.3631 -70.6793 -55.3621 -106.566 GPRESSURE: 4856600 190.904 -48.655 11.169 15.8736 -47.2236 6.32763 -34.2913 -100.44 -63.5706 PRESSAVG: 4856600 -33.1309 1.18522 0.262937 1.18518 56.1365 -19.9535 0.262913 -19.9534 -0.211051 GPRESSAVG: 4856600 -33.1117 0.498759 2.29137 0.671137 56.1043 -18.7071 -0.0198342 -21.639 -0.0936676 TIMING: 4856600 CPU: 14413.4, 0.00296925/step Wall: 14413.4, 0.00296925/step, 0.118275 hours remaining, 209.890625 MB of memory in use. ENERGY: 4856600 719.7298 2064.6558 1929.2954 110.2555 -206184.7817 17738.8477 0.0000 0.0000 34309.5327 -149312.4647 299.6337 -183621.9974 -149212.9514 298.4955 -8.2360 26.7034 557844.3673 7.5982 7.6330 PRESSURE: 4856800 -333.053 -25.7767 -41.3497 -25.7763 -167.099 92.2447 -41.3498 92.2446 -22.7238 GPRESSURE: 4856800 -307.03 -64.6643 -65.1815 -57.3775 -137.78 71.9486 -30.4033 86.0972 5.20229 PRESSAVG: 4856800 11.1233 -12.5091 -20.2904 -12.5091 3.79124 -44.5448 -20.2904 -44.5446 11.4979 GPRESSAVG: 4856800 11.6154 -13.5023 -22.6823 -11.6787 2.78486 -45.2845 -20.1122 -43.2849 11.8925 TIMING: 4856800 CPU: 14414, 0.00298792/step Wall: 14414, 0.00298792/step, 0.118853 hours remaining, 209.890625 MB of memory in use. ENERGY: 4856800 757.8356 2121.4318 1915.8638 119.3367 -205868.0698 17584.6420 0.0000 0.0000 34050.4067 -149318.5531 297.3707 -183368.9598 -149221.5218 298.6102 -174.2919 -146.5359 557322.5354 8.8042 8.7643 PRESSURE: 4857000 -422.805 1.46921 -24.3351 1.46844 -155.494 59.5593 -24.3352 59.5604 -232.4 GPRESSURE: 4857000 -358.92 -18.0389 -102.75 35.0498 -130.945 70.7996 99.8987 -29.1879 -217.41 PRESSAVG: 4857000 -68.3367 -6.67199 -24.1848 -6.67195 -33.9455 5.79529 -24.1848 5.79535 71.0685 GPRESSAVG: 4857000 -68.062 -5.29979 -23.1659 -5.56712 -33.2209 5.76781 -24.7923 5.71862 69.7496 TIMING: 4857000 CPU: 14414.6, 0.00297566/step Wall: 14414.6, 0.00297566/step, 0.1182 hours remaining, 209.890625 MB of memory in use. ENERGY: 4857000 735.8829 2072.4031 1913.3968 109.2061 -205823.3171 17325.3447 0.0000 0.0000 34246.4728 -149420.6106 299.0830 -183667.0834 -149320.1102 298.8523 -270.2329 -235.7584 557587.7750 -10.4046 -10.5111 PRESSURE: 4857200 175.583 16.9367 100.656 16.9366 -101.722 60.6612 100.657 60.6607 -74.0303 GPRESSURE: 4857200 145.257 78.255 48.652 -159.129 -100.307 45.1173 24.9857 125.402 50.1587 PRESSAVG: 4857200 -51.329 -1.47594 -23.3106 -1.47586 35.9534 -1.19602 -23.3105 -1.19601 -15.9592 GPRESSAVG: 4857200 -51.7502 -2.27813 -22.2343 -1.99094 36.6128 -1.03076 -21.3294 -1.2486 -15.7238 TIMING: 4857200 CPU: 14415.2, 0.00296191/step Wall: 14415.2, 0.00296191/step, 0.117489 hours remaining, 209.890625 MB of memory in use. ENERGY: 4857200 726.5402 2083.2064 1920.4805 125.0929 -206050.9505 17856.5380 0.0000 0.0000 34001.5805 -149337.5120 296.9443 -183339.0925 -149238.3530 298.7418 -0.0565 31.7030 557454.3432 -10.4449 -10.2871 PRESSURE: 4857400 -177.405 29.1983 -7.80058 29.1985 -291.663 86.8169 -7.80228 86.8179 238.805 GPRESSURE: 4857400 -156.954 64.6825 -18.5608 -112.042 -199.627 43.9881 77.86 103.563 239.244 PRESSAVG: 4857400 50.4417 -26.2541 40.5195 -26.2541 -31.0662 -41.3759 40.5196 -41.3759 16.6733 GPRESSAVG: 4857400 49.5997 -25.9127 40.9319 -26.9034 -31.7874 -42.4532 39.6395 -41.1737 18.4966 TIMING: 4857400 CPU: 14415.8, 0.00296569/step Wall: 14415.8, 0.00296569/step, 0.117474 hours remaining, 209.890625 MB of memory in use. ENERGY: 4857400 719.4823 2065.8080 1927.4965 114.9932 -206067.6494 17565.1141 0.0000 0.0000 34265.9198 -149408.8353 299.2528 -183674.7552 -149312.5846 298.6555 -76.7544 -39.1123 557526.7798 12.0163 12.1030 PRESSURE: 4857600 -80.9726 112.564 41.9351 112.563 57.492 -11.5164 41.9357 -11.5158 -21.8545 GPRESSURE: 4857600 -1.33667 33.3837 45.4165 148.818 98.0133 37.1594 58.3168 -85.016 -33.9631 PRESSAVG: 4857600 -107.663 -26.2015 67.4891 -26.2015 5.9509 23.2763 67.4892 23.2763 51.7696 GPRESSAVG: 4857600 -106.835 -23.9659 66.8864 -26.035 7.16057 24.7633 67.0373 24.1095 49.6111 TIMING: 4857600 CPU: 14416.3, 0.00292462/step Wall: 14416.3, 0.00292462/step, 0.115685 hours remaining, 209.890625 MB of memory in use. ENERGY: 4857600 739.9081 2077.6085 1922.0895 119.1245 -206539.8008 17965.8584 0.0000 0.0000 34263.1012 -149452.1106 299.2282 -183715.2118 -149362.2031 298.6882 -15.1117 20.9045 558290.0296 -16.6475 -16.6877 PRESSURE: 4857800 154.481 -26.8757 46.8794 -26.8754 124.756 95.6957 46.8799 95.6959 -58.0513 GPRESSURE: 4857800 150.266 -149.98 60.0513 50.334 171.013 70.3827 -19.8258 56.7751 -9.32732 PRESSAVG: 4857800 35.9757 -31.1323 27.8177 -31.1322 36.3816 -10.4291 27.8177 -10.4291 -33.6214 GPRESSAVG: 4857800 35.6942 -34.3462 26.376 -30.0618 36.8785 -11.3594 28.3681 -11.1575 -33.3171 TIMING: 4857800 CPU: 14416.9, 0.00292657/step Wall: 14416.9, 0.00292657/step, 0.115599 hours remaining, 209.890625 MB of memory in use. ENERGY: 4857800 764.3550 2068.9684 1943.1806 108.5015 -206756.3644 18127.2991 0.0000 0.0000 34170.6354 -149573.4244 298.4207 -183744.0598 -149472.6522 298.1543 73.7286 103.9839 556940.5312 12.9120 13.0852 PRESSURE: 4858000 47.4552 -89.1597 31.7082 -89.1601 54.7937 -101.557 31.7075 -101.558 -50.4701 GPRESSURE: 4858000 82.2925 -38.8323 20.8151 -131.744 139.732 -112.346 54.4983 -71.0634 -48.6713 PRESSAVG: 4858000 50.2462 -24.3014 12.9885 -24.3014 -11.7311 -2.68431 12.9886 -2.68431 -59.2741 GPRESSAVG: 4858000 51.7729 -25.2479 14.027 -23.6197 -13.4622 -3.27258 13.7288 -3.07831 -59.3768 TIMING: 4858000 CPU: 14417.5, 0.00292832/step Wall: 14417.5, 0.00292832/step, 0.115506 hours remaining, 209.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4858000 762.2930 2052.7494 1933.2443 93.4558 -206580.2390 18006.5206 0.0000 0.0000 34211.5496 -149520.4263 298.7780 -183731.9759 -149426.4023 298.2998 17.2596 57.7843 557570.4282 -6.9197 -7.0220 PRESSURE: 4858200 147.905 152.157 -44.6066 152.157 -127.385 68.6197 -44.6062 68.6195 106.674 GPRESSURE: 4858200 199.369 247.407 53.671 67.5257 -83.9413 113.282 -86.5581 -12.2257 104.521 PRESSAVG: 4858200 93.7037 -0.85816 17.5793 -0.858187 -77.6554 -2.05949 17.5793 -2.05951 -37.5769 GPRESSAVG: 4858200 92.883 0.322563 17.0092 -1.52309 -77.0849 -3.28341 16.0255 0.518682 -36.679 TIMING: 4858200 CPU: 14418.1, 0.00295025/step Wall: 14418.1, 0.00295025/step, 0.116207 hours remaining, 209.890625 MB of memory in use. ENERGY: 4858200 691.8898 2063.7802 1923.8624 122.5684 -206606.5182 17891.6269 0.0000 0.0000 34294.0304 -149618.7601 299.4983 -183912.7905 -149519.6007 298.4905 42.3981 73.3163 557330.5335 -7.1762 -6.9603 PRESSURE: 4858400 -365.967 -38.264 52.1092 -38.2639 -445.846 -90.6884 52.11 -90.6892 107.749 GPRESSURE: 4858400 -323.142 -19.9968 38.6122 8.52362 -424.263 -59.1623 54.464 -91.4164 145.323 PRESSAVG: 4858400 6.03024 20.2435 23.3355 20.2435 -59.6768 19.5081 23.3356 19.5082 3.17939 GPRESSAVG: 4858400 6.54923 21.0835 26.0955 21.4955 -59.9331 21.5141 21.8381 16.0909 3.56175 TIMING: 4858400 CPU: 14418.7, 0.00296193/step Wall: 14418.7, 0.00296193/step, 0.116503 hours remaining, 209.890625 MB of memory in use. ENERGY: 4858400 739.1659 2036.8940 1919.3121 98.8330 -206453.0996 17783.6438 0.0000 0.0000 34337.5892 -149537.6617 299.8787 -183875.2509 -149436.9271 297.6716 -234.6879 -200.6942 558292.0969 -16.8224 -16.6074 PRESSURE: 4858600 -1.55666 92.1963 -128.115 92.1959 68.421 19.5148 -128.114 19.5147 -128.938 GPRESSURE: 4858600 48.662 62.3978 -106.694 31.4021 -10.2856 98.241 -105.276 49.4078 -11.8912 PRESSAVG: 4858600 36.3859 -3.1042 -19.3544 -3.10414 -11.0583 -22.0014 -19.3545 -22.0015 12.1114 GPRESSAVG: 4858600 36.7657 -2.22989 -19.7319 -4.03489 -11.5631 -22.3016 -18.2278 -20.2358 11.8281 TIMING: 4858600 CPU: 14419.3, 0.00295215/step Wall: 14419.3, 0.00295215/step, 0.115954 hours remaining, 209.890625 MB of memory in use. ENERGY: 4858600 758.5643 2087.3759 1931.8507 116.6144 -206592.5258 17896.5461 0.0000 0.0000 34343.3471 -149458.2273 299.9290 -183801.5744 -149359.6136 298.7064 -20.6913 8.8284 558226.6740 12.4797 12.3436 PRESSURE: 4858800 349.073 12.4807 -6.83973 12.4804 58.9978 52.9158 -6.83995 52.916 91.968 GPRESSURE: 4858800 296.98 12.3029 15.0614 43.9782 115.979 -26.6794 -24.3332 43.2789 178.677 PRESSAVG: 4858800 81.5796 7.31466 39.1002 7.31453 -49.8236 6.82422 39.1002 6.8241 -21.0187 GPRESSAVG: 4858800 80.5403 4.9583 35.6261 8.85913 -48.6817 4.29193 41.4552 4.46057 -20.5733 TIMING: 4858800 CPU: 14419.9, 0.00294308/step Wall: 14419.9, 0.00294308/step, 0.115434 hours remaining, 209.890625 MB of memory in use. ENERGY: 4858800 713.1568 2117.9298 1924.6664 112.2631 -206704.2676 18062.4345 0.0000 0.0000 34253.2983 -149520.5186 299.1426 -183773.8169 -149425.8832 299.0397 166.6797 197.2118 555969.0750 3.5791 3.7618 PRESSURE: 4859000 -320.105 52.1624 113.235 52.1606 -41.8791 -28.1999 113.236 -28.2004 -61.0593 GPRESSURE: 4859000 -301.802 86.8998 153.626 5.57308 1.91766 2.71488 85.9631 -52.4583 -22.6884 PRESSAVG: 4859000 24.0066 33.4048 -12.4269 33.4048 -41.3867 11.5143 -12.4269 11.5144 16.789 GPRESSAVG: 4859000 24.2006 33.2994 -11.1013 31.1199 -42.506 13.5587 -14.1398 13.3223 18.2012 TIMING: 4859000 CPU: 14420.5, 0.0029192/step Wall: 14420.5, 0.0029192/step, 0.114335 hours remaining, 209.890625 MB of memory in use. ENERGY: 4859000 756.4655 2094.8371 1913.5725 103.2777 -206702.9208 18058.7809 0.0000 0.0000 34232.2694 -149543.7176 298.9589 -183775.9870 -149442.8322 298.1144 -141.0145 -107.5242 558331.6665 -0.1970 -0.0347 PRESSURE: 4859200 56.7723 -21.4193 -46.7236 -21.4191 -185.39 -28.1496 -46.725 -28.15 -269.104 GPRESSURE: 4859200 90.7107 -63.3144 -18.0286 -106.936 -180.037 -14.7237 -45.6605 -16.625 -208.627 PRESSAVG: 4859200 37.8677 -24.8594 56.0089 -24.8593 -29.4113 51.6329 56.0089 51.633 -2.02482 GPRESSAVG: 4859200 38.7044 -24.4394 56.917 -25.2031 -28.4914 51.4302 55.378 50.687 -3.89455 TIMING: 4859200 CPU: 14421, 0.00293772/step Wall: 14421, 0.00293772/step, 0.114897 hours remaining, 209.890625 MB of memory in use. ENERGY: 4859200 759.6557 2110.3981 1939.4044 118.9724 -206430.9990 17729.9187 0.0000 0.0000 34277.6793 -149494.9705 299.3555 -183772.6498 -149390.2408 298.6810 -132.5740 -99.3175 557435.9888 2.1438 2.1062 PRESSURE: 4859400 206.833 14.3108 92.7762 14.3124 170.116 -60.0285 92.7755 -60.0269 -93.4087 GPRESSURE: 4859400 231.591 37.6531 129.03 64.9662 217.555 -50.5108 61.9456 -51.1517 -70.6541 PRESSAVG: 4859400 66.5692 -36.4834 -15.3796 -36.4834 -27.5334 12.3171 -15.3796 12.3171 -35.6288 GPRESSAVG: 4859400 65.7277 -36.8304 -15.213 -34.7172 -27.2729 12.871 -15.0382 11.3807 -35.4295 TIMING: 4859400 CPU: 14421.6, 0.00293365/step Wall: 14421.6, 0.00293365/step, 0.114575 hours remaining, 209.890625 MB of memory in use. ENERGY: 4859400 738.0274 2019.5914 1918.5686 112.1988 -206678.3918 18099.8094 0.0000 0.0000 34223.0218 -149567.1745 298.8782 -183790.1962 -149470.9375 298.2828 94.5135 126.1639 555776.6964 1.1357 1.0085 PRESSURE: 4859600 -113.315 9.92271 -139.846 9.92211 -337.801 -49.1559 -139.847 -49.1561 -293.319 GPRESSURE: 4859600 -100.576 -12.127 -230.036 45.3781 -247.749 -45.0289 -42.39 6.4838 -288.763 PRESSAVG: 4859600 20.625 -31.1779 -10.8729 -31.1779 -14.4297 -32.5258 -10.8729 -32.5259 -42.0166 GPRESSAVG: 4859600 20.5255 -30.0405 -12.2263 -31.5075 -15.6733 -32.2487 -10.3459 -31.1553 -40.3781 TIMING: 4859600 CPU: 14422.2, 0.00293853/step Wall: 14422.2, 0.00293853/step, 0.114603 hours remaining, 209.890625 MB of memory in use. ENERGY: 4859600 746.2199 2101.3993 1926.3599 107.9131 -205878.6630 17472.5859 0.0000 0.0000 34154.6178 -149369.5670 298.2808 -183524.1848 -149274.7726 298.8039 -248.1450 -212.3625 559187.2984 -11.9404 -11.8419 PRESSURE: 4859800 -36.4592 -39.333 -46.0045 -39.3345 243.312 104.524 -46.0049 104.524 -72.3683 GPRESSURE: 4859800 -2.17672 -34.7215 17.4964 -84.7144 260.787 21.5147 -66.9295 146.088 -26.6687 PRESSAVG: 4859800 77.2325 -26.1074 19.2712 -26.1074 -39.4538 -35.4451 19.2713 -35.4451 -29.6715 GPRESSAVG: 4859800 77.0793 -25.5744 19.3141 -27.4002 -39.0133 -36.4662 21.5455 -36.404 -29.9066 TIMING: 4859800 CPU: 14422.8, 0.00292663/step Wall: 14422.8, 0.00292664/step, 0.113976 hours remaining, 209.890625 MB of memory in use. ENERGY: 4859800 766.2039 2100.9768 1925.3315 129.7327 -206393.9504 17946.3183 0.0000 0.0000 34332.3887 -149192.9985 299.8333 -183525.3872 -149099.4772 299.0976 44.8283 77.3139 556641.2407 2.7024 2.7198 PRESSURE: 4860000 107.36 16.0208 -3.41313 16.0221 96.2825 -57.1443 -3.41223 -57.1425 -111.327 GPRESSURE: 4860000 135.213 -7.62239 -64.8764 -22.1687 145.701 -55.013 -1.74504 5.92766 -93.2354 PRESSAVG: 4860000 27.7301 23.9237 15.9531 23.9236 -4.46878 29.3042 15.9532 29.3043 -33.7685 GPRESSAVG: 4860000 27.924 23.0722 16.233 21.1535 -6.04621 30.9443 15.8672 29.8551 -32.496 TIMING: 4860000 CPU: 14423.4, 0.00296262/step Wall: 14423.4, 0.00296262/step, 0.115213 hours remaining, 209.890625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4860000 720.1905 2133.6776 1918.4942 111.6042 -206474.3792 17822.4137 0.0000 0.0000 34371.1587 -149396.8403 300.1719 -183767.9990 -149300.5664 299.3634 30.7718 62.5596 557515.0782 -3.5024 -3.5394 PRESSURE: 4860200 -21.9561 -160.095 94.0027 -160.095 53.5758 61.5853 94.0022 61.584 -23.6035 GPRESSURE: 4860200 -2.80905 -136.212 108.507 -126.961 92.0246 85.4053 -2.89216 66.9702 29.1495 PRESSAVG: 4860200 -1.10859 -18.2686 -5.77993 -18.2687 23.4779 -8.5455 -5.77988 -8.54549 29.7175 GPRESSAVG: 4860200 -2.3032 -19.4556 -6.56271 -13.6607 25.4707 -10.3384 -8.12673 -9.12293 28.3244 TIMING: 4860200 CPU: 14424, 0.00293706/step Wall: 14424, 0.00293706/step, 0.114056 hours remaining, 209.890625 MB of memory in use. ENERGY: 4860200 744.6958 2104.5153 1920.4138 105.8498 -206229.1623 17800.1511 0.0000 0.0000 34498.7084 -149054.8281 301.2858 -183553.5365 -148956.2627 299.1942 2.6721 39.4550 557765.9307 17.3623 17.1640 LDB: ============= START OF LOAD BALANCING ============== 14427.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14427.5 LDB: =============== DONE WITH MIGRATION ================ 14427.5 LDB: ============= START OF LOAD BALANCING ============== 14427.8 LDB: Largest compute 4801 load 0.024024 is 20.3% of average load 0.118326 LDB: Average compute 0.001713 is 1.4% of average load 0.118326 LDB: TIME 14427.8 LOAD: AVG 0.118326 MAX 0.197415 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.125 MB LDB: TIME 14427.8 LOAD: AVG 0.118326 MAX 0.197415 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.328 MB LDB: TIME 14427.8 LOAD: AVG 0.118326 MAX 0.197415 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.328 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14427.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14427.8 PRESSURE: 4860400 -233.343 -31.2252 37.1725 -31.2246 47.5854 -31.3365 37.1725 -31.3354 -160.432 GPRESSURE: 4860400 -214.343 28.651 88.9154 -77.8235 79.6117 -73.4762 -18.8464 7.77256 -112.94 PRESSAVG: 4860400 52.3461 37.4407 -3.67408 37.4407 28.3585 -30.9648 -3.67406 -30.9647 4.43052 GPRESSAVG: 4860400 53.444 37.7241 -2.54948 37.7054 27.3709 -30.605 -4.18933 -29.9183 4.63629 TIMING: 4860400 CPU: 14424.6, 0.00299861/step Wall: 14424.6, 0.00299861/step, 0.116279 hours remaining, 209.062500 MB of memory in use. ENERGY: 4860400 775.4747 2154.6781 1943.4054 106.8989 -206384.4036 17789.7588 0.0000 0.0000 34353.0331 -149261.1547 300.0136 -183614.1878 -149163.1312 300.0921 -115.3964 -82.5569 557652.4812 28.3784 28.4837 PRESSURE: 4860600 -133.637 90.061 53.2555 90.0611 32.3412 -168.771 53.2555 -168.772 134.82 GPRESSURE: 4860600 -83.6476 15.8386 75.6196 161.965 59.5513 -189.248 90.3281 -134.852 141.801 PRESSAVG: 4860600 -0.104562 28.3296 33.853 28.3296 9.1573 -35.5602 33.853 -35.5602 0.223127 GPRESSAVG: 4860600 -1.50255 28.157 33.5269 26.353 8.76543 -34.7807 36.5486 -35.7508 2.46527 TIMING: 4860600 CPU: 14425.2, 0.00293582/step Wall: 14425.2, 0.00293582/step, 0.113681 hours remaining, 209.265625 MB of memory in use. ENERGY: 4860600 763.0521 2129.2720 1942.2998 116.3996 -206167.1527 17870.3920 0.0000 0.0000 34059.7674 -149285.9698 297.4524 -183345.7372 -149195.3578 298.6200 11.1748 39.2351 556972.6374 3.0920 3.2427 PRESSURE: 4860800 -257.192 70.921 -186.982 70.9203 -22.2741 194.112 -186.982 194.113 -64.8256 GPRESSURE: 4860800 -169.735 64.4031 -148.265 61.4406 -50.973 252.72 -214.537 137.396 -30.19 PRESSAVG: 4860800 -29.855 23.4867 -17.5044 23.4866 15.0186 5.23074 -17.5045 5.23083 38.264 GPRESSAVG: 4860800 -28.3354 24.2226 -17.1819 25.4148 14.6741 3.68908 -18.4602 7.35476 36.8528 TIMING: 4860800 CPU: 14425.8, 0.00293447/step Wall: 14425.8, 0.00293447/step, 0.113466 hours remaining, 209.265625 MB of memory in use. ENERGY: 4860800 761.3985 2095.1212 1910.8744 114.3365 -205895.2372 17450.5761 0.0000 0.0000 34254.3446 -149308.5858 299.1517 -183562.9304 -149202.9719 300.0842 -114.7640 -83.6325 555935.3386 7.8092 7.7305 PRESSURE: 4861000 -213.01 -30.1581 -11.7317 -30.1587 -43.5728 109.844 -11.7302 109.843 -288.381 GPRESSURE: 4861000 -182.514 -51.2943 -15.1438 -32.1104 -22.4752 9.08436 14.3374 69.3842 -233.34 PRESSAVG: 4861000 30.2335 47.3638 15.877 47.3638 -29.6291 -37.891 15.8771 -37.8911 13.757 GPRESSAVG: 4861000 29.4805 48.4695 16.6889 44.8425 -28.3759 -36.9738 15.6453 -38.6515 13.6209 TIMING: 4861000 CPU: 14426.3, 0.00293442/step Wall: 14426.3, 0.00293442/step, 0.113301 hours remaining, 209.265625 MB of memory in use. ENERGY: 4861000 776.2611 2087.9885 1892.5678 103.7584 -206068.8415 17625.2409 0.0000 0.0000 34299.8226 -149283.2022 299.5489 -183583.0248 -149188.7410 299.2405 -181.6545 -146.1097 557749.7758 4.7871 4.9085 PRESSURE: 4861200 219.3 106.475 22.4728 106.473 130.856 56.4035 22.4716 56.4045 44.2479 GPRESSURE: 4861200 276.97 142.978 18.4442 109.361 119.495 128.97 66.9755 -4.50969 88.9143 PRESSAVG: 4861200 -9.31842 -33.739 -54.3335 -33.739 44.6441 -8.68845 -54.3335 -8.68837 29.9807 GPRESSAVG: 4861200 -8.52031 -34.7807 -54.1713 -33.8841 44.3607 -8.90741 -54.0618 -8.84905 29.6877 TIMING: 4861200 CPU: 14426.9, 0.00294746/step Wall: 14426.9, 0.00294746/step, 0.113641 hours remaining, 209.265625 MB of memory in use. ENERGY: 4861200 772.9914 2123.8962 1955.5677 108.0677 -206683.0814 18172.2779 0.0000 0.0000 34298.0377 -149252.2427 299.5333 -183550.2805 -149162.8359 299.8938 131.4680 161.7933 555890.5032 21.7688 21.8427 PRESSURE: 4861400 156.61 19.4257 122.105 19.4246 -133.643 27.6175 122.104 27.6177 -101.834 GPRESSURE: 4861400 145.905 88.4 102.427 -33.0315 -61.5682 -3.56712 81.9944 61.0379 -58.9662 PRESSAVG: 4861400 -15.8557 -60.5576 3.47196 -60.5576 17.9822 -5.81358 3.47193 -5.8136 -55.4772 GPRESSAVG: 4861400 -16.2397 -60.2928 1.45726 -61.7478 19.0334 -5.77104 2.55362 -5.04468 -55.9549 TIMING: 4861400 CPU: 14427.5, 0.00296908/step Wall: 14427.5, 0.00296908/step, 0.11431 hours remaining, 209.265625 MB of memory in use. ENERGY: 4861400 742.7458 2128.3055 1932.6396 107.7100 -206475.6471 17805.7647 0.0000 0.0000 34514.9422 -149243.5394 301.4276 -183758.4816 -149143.3939 300.0713 -26.2891 8.4569 555968.9273 -17.7835 -17.7204 PRESSURE: 4861600 295.295 12.4417 -69.1134 12.442 40.6836 212.575 -69.1136 212.574 46.552 GPRESSURE: 4861600 338.53 57.2508 -173.56 -43.1091 81.0936 160.172 -56.0173 189.979 63.1025 PRESSAVG: 4861600 -34.7287 -10.692 49.127 -10.6921 8.25988 -32.0667 49.1269 -32.0667 41.2954 GPRESSAVG: 4861600 -34.6174 -9.23171 48.6398 -10.4652 7.21615 -31.8553 49.3409 -33.6823 41.7342 TIMING: 4861600 CPU: 14428.1, 0.00296264/step Wall: 14428.1, 0.00296264/step, 0.113897 hours remaining, 209.265625 MB of memory in use. ENERGY: 4861600 741.2706 2113.1769 1924.6212 128.0673 -206260.0329 17935.1461 0.0000 0.0000 34263.0569 -149154.6940 299.2278 -183417.7509 -149053.5144 299.9747 127.5101 160.9087 557783.0784 4.9422 4.7776 PRESSURE: 4861800 -133.905 -54.977 13.6516 -54.9778 16.5573 -0.651459 13.6508 -0.651652 338.219 GPRESSURE: 4861800 -21.2835 29.2596 -6.00684 -49.8344 29.3586 51.074 67.8178 -57.5599 322.73 PRESSAVG: 4861800 63.0557 -5.64029 3.87598 -5.64018 -33.6348 -36.1401 3.87599 -36.1401 -28.4281 GPRESSAVG: 4861800 62.9893 -6.60397 5.60286 -2.89115 -33.6905 -35.9722 3.64064 -35.7677 -27.9065 TIMING: 4861800 CPU: 14428.7, 0.0029333/step Wall: 14428.7, 0.0029333/step, 0.112606 hours remaining, 209.265625 MB of memory in use. ENERGY: 4861800 718.6882 2133.7301 1918.6593 116.5436 -206438.4750 17996.4843 0.0000 0.0000 34397.0845 -149157.2850 300.3983 -183554.3695 -149062.2122 300.1849 73.6237 110.2686 556316.1957 0.3309 0.4641 PRESSURE: 4862000 -35.0813 10.9397 176.665 10.9395 -31.1285 -123.341 176.664 -123.342 112.54 GPRESSURE: 4862000 -28.9019 -96.0438 183.894 121.807 57.0589 -87.0165 190.476 -72.8268 127.399 PRESSAVG: 4862000 -11.8786 -17.0991 -22.5268 -17.099 34.9162 14.0019 -22.5267 14.002 14.2057 GPRESSAVG: 4862000 -11.8176 -18.3174 -21.3973 -18.0163 35.3847 14.3907 -23.9499 13.7968 13.7174 TIMING: 4862000 CPU: 14429.3, 0.00292898/step Wall: 14429.3, 0.00292898/step, 0.112278 hours remaining, 209.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4862000 759.0285 2107.2301 1937.3029 123.9278 -206213.1230 17831.1430 0.0000 0.0000 34286.3741 -149168.1166 299.4314 -183454.4907 -149068.9521 299.7358 15.4434 51.8520 556632.0200 12.4144 12.4281 PRESSURE: 4862200 -157.359 -100.829 79.7063 -100.83 -366.227 -8.20091 79.7086 -8.20092 6.45922 GPRESSURE: 4862200 -65.8232 -68.1574 41.3698 -10.1748 -367.941 17.6941 79.7586 -40.2068 11.4161 PRESSAVG: 4862200 -51.7472 -3.25289 -28.7556 -3.25291 -6.42223 -14.2351 -28.7555 -14.235 99.5294 GPRESSAVG: 4862200 -51.3958 -2.36247 -31.5558 -1.5836 -6.09608 -13.8092 -26.2846 -12.9535 98.9943 TIMING: 4862200 CPU: 14429.9, 0.00293825/step Wall: 14429.9, 0.00293825/step, 0.11247 hours remaining, 209.265625 MB of memory in use. ENERGY: 4862200 756.3291 2137.0666 1916.3022 105.9709 -206220.8601 17712.6962 0.0000 0.0000 34295.9281 -149296.5670 299.5149 -183592.4951 -149199.8257 299.7476 -172.3754 -140.7825 556972.8896 13.7867 13.8341 PRESSURE: 4862400 29.1095 -64.1889 231.014 -64.1868 -226.65 184.874 231.014 184.873 -119.899 GPRESSURE: 4862400 38.9636 -19.3125 189.488 -70.4564 -128.636 157.196 164.162 182.903 -125.876 PRESSAVG: 4862400 -33.7515 -12.5357 -15.1594 -12.5357 -30.9455 -0.27748 -15.1595 -0.2775 39.2218 GPRESSAVG: 4862400 -34.9907 -13.7177 -14.7498 -13.8053 -31.0046 -1.38494 -15.6788 -0.878852 39.7281 TIMING: 4862400 CPU: 14430.5, 0.00295141/step Wall: 14430.5, 0.00295141/step, 0.112809 hours remaining, 209.265625 MB of memory in use. ENERGY: 4862400 783.0330 2067.5909 1936.0102 106.3966 -205829.7890 17617.2013 0.0000 0.0000 34052.2252 -149267.3319 297.3866 -183319.5570 -149172.9457 298.6325 -105.8133 -71.8493 556992.8545 -8.4917 -8.7557 PRESSURE: 4862600 44.0622 43.2697 104.322 43.2694 -28.6539 8.97422 104.321 8.97354 285.623 GPRESSURE: 4862600 116.118 74.1195 171.438 83.6619 -31.4899 -17.7578 104.683 47.2641 310.853 PRESSAVG: 4862600 32.4536 21.3008 34.3217 21.3007 -60.5097 22.4776 34.3217 22.4776 -3.86023 GPRESSAVG: 4862600 32.1887 20.5598 36.9018 22.3185 -60.1572 22.2444 33.6496 23.7955 -3.69862 TIMING: 4862600 CPU: 14431.1, 0.00294763/step Wall: 14431.1, 0.00294763/step, 0.112501 hours remaining, 209.265625 MB of memory in use. ENERGY: 4862600 708.6975 2098.2782 1930.5225 112.0282 -206467.8284 17944.8163 0.0000 0.0000 34384.4279 -149289.0578 300.2878 -183673.4857 -149193.5475 298.9542 100.3436 131.8271 557106.0097 -10.6388 -10.5557 PRESSURE: 4862800 15.0745 74.4348 107.232 74.4342 31.3153 0.605388 107.23 0.606249 -105.672 GPRESSURE: 4862800 63.2588 66.3655 198.877 138.345 22.9483 -8.48169 111.388 68.5637 -46.6556 PRESSAVG: 4862800 63.8384 32.4732 37.9413 32.4733 -87.3518 -0.194524 37.9414 -0.194652 50.5255 GPRESSAVG: 4862800 65.2885 32.2249 37.17 33.2915 -87.4713 1.65824 36.7644 -0.845135 48.9256 TIMING: 4862800 CPU: 14431.6, 0.00296068/step Wall: 14431.6, 0.00296068/step, 0.112835 hours remaining, 209.265625 MB of memory in use. ENERGY: 4862800 730.8074 2062.5478 1916.8012 111.9428 -206138.2815 17793.8782 0.0000 0.0000 34090.5369 -149431.7672 297.7211 -183522.3041 -149328.2487 298.7115 -19.7606 13.1838 556917.0626 9.0040 8.9142 PRESSURE: 4863000 53.6179 -13.1713 -26.0953 -13.1723 108.822 -16.1563 -26.0966 -16.1567 47.1208 GPRESSURE: 4863000 129.482 -37.1165 -63.8064 -4.74819 167.55 -16.5417 19.8091 74.5958 34.5343 PRESSAVG: 4863000 9.13429 -21.731 15.2296 -21.731 5.47665 -9.56994 15.2297 -9.56975 -50.5393 GPRESSAVG: 4863000 6.88176 -20.7571 14.0335 -22.5573 5.83026 -11.1027 18.7138 -9.47979 -48.399 TIMING: 4863000 CPU: 14432.2, 0.00294587/step Wall: 14432.2, 0.00294586/step, 0.112107 hours remaining, 209.265625 MB of memory in use. ENERGY: 4863000 746.8998 2119.4481 1933.8654 115.4253 -206665.1384 18043.1845 0.0000 0.0000 34257.8310 -149448.4843 299.1822 -183706.3153 -149356.4511 298.8280 69.8536 110.5221 556619.9582 -11.9761 -11.8957 PRESSURE: 4863200 -205.409 -75.521 68.9405 -75.5204 -58.879 -3.82518 68.9412 -3.8247 -241.051 GPRESSURE: 4863200 -157.994 -93.6158 44.3997 -55.6398 -49.7256 66.2148 29.0438 -93.8748 -212.578 PRESSAVG: 4863200 39.2569 7.26761 -14.4213 7.26756 -18.395 -21.6858 -14.4214 -21.6858 2.1544 GPRESSAVG: 4863200 40.5892 8.4131 -15.1232 6.96922 -19.5219 -20.7553 -14.4147 -23.8622 1.59029 TIMING: 4863200 CPU: 14432.8, 0.00295588/step Wall: 14432.8, 0.00295588/step, 0.112323 hours remaining, 209.265625 MB of memory in use. ENERGY: 4863200 788.8801 2104.9338 1910.9966 120.1204 -206315.0666 17807.0485 0.0000 0.0000 34101.7108 -149481.3764 297.8187 -183583.0872 -149379.5388 299.1061 -168.4464 -140.0992 557532.1145 7.6721 7.5525 PRESSURE: 4863400 162.954 -191.843 116.491 -191.842 -184.976 -47.2288 116.491 -47.229 219.077 GPRESSURE: 4863400 174.377 -219.818 69.4847 -163.098 -71.9163 -40.6799 93.4767 -84.5349 189.194 PRESSAVG: 4863400 -16.1283 16.2029 30.4118 16.2029 -29.1799 1.35987 30.4119 1.35978 57.8832 GPRESSAVG: 4863400 -17.2999 16.1835 29.843 15.3402 -27.6413 0.708683 30.2154 1.46793 57.857 TIMING: 4863400 CPU: 14433.4, 0.00293138/step Wall: 14433.4, 0.00293138/step, 0.11123 hours remaining, 209.265625 MB of memory in use. ENERGY: 4863400 773.6999 2063.9679 1943.5882 105.7099 -206810.7007 18085.9872 0.0000 0.0000 34196.7080 -149641.0396 298.6484 -183837.7477 -149534.9033 298.1746 65.6847 97.2182 555280.9014 4.1917 4.3053 PRESSURE: 4863600 -48.8258 -164.463 -159.522 -164.463 -55.152 -14.2677 -159.522 -14.2668 -0.113119 GPRESSURE: 4863600 10.5385 -86.8848 -100.601 -227.333 -23.971 -76.9507 -171.678 -1.8266 -0.353866 PRESSAVG: 4863600 -20.6947 12.8533 7.7687 12.8533 -48.3958 25.1287 7.76872 25.1287 56.2247 GPRESSAVG: 4863600 -20.2135 14.0183 9.48191 12.8567 -49.4757 23.9276 6.60509 25.2801 56.4903 TIMING: 4863600 CPU: 14434, 0.00293762/step Wall: 14434, 0.00293762/step, 0.111303 hours remaining, 209.265625 MB of memory in use. ENERGY: 4863600 711.6797 2114.4353 1926.0159 108.5457 -206488.2033 17841.2575 0.0000 0.0000 34108.3545 -149677.9147 297.8767 -183786.2692 -149577.4683 297.7874 -34.6970 -4.5955 557390.8267 -4.2886 -4.3996 PRESSURE: 4863800 156.316 -123.713 -11.6644 -123.712 108.069 -123.332 -11.6653 -123.331 409.195 GPRESSURE: 4863800 173.946 -120.52 -68.478 -172.072 149.682 -196.347 -51.4292 -54.5104 445.425 PRESSAVG: 4863800 23.6108 -11.7261 -9.34554 -11.7261 -7.19452 11.3549 -9.34549 11.3549 -14.6017 GPRESSAVG: 4863800 23.1538 -14.4684 -8.10813 -9.99814 -5.69411 9.60888 -9.71316 15.0177 -15.8548 TIMING: 4863800 CPU: 14434.6, 0.00294189/step Wall: 14434.6, 0.00294189/step, 0.111302 hours remaining, 209.265625 MB of memory in use. ENERGY: 4863800 701.0229 2127.3144 1964.3412 101.2319 -206623.9696 18149.7523 0.0000 0.0000 34103.3303 -149476.9766 297.8329 -183580.3068 -149373.8020 298.3179 224.5267 256.3510 557495.5004 0.6049 0.5350 PRESSURE: 4864000 383.897 50.5549 80.6392 50.5559 -9.37642 47.9552 80.6385 47.9557 84.9547 GPRESSURE: 4864000 424.059 58.4552 104.737 69.2821 52.2004 54.2317 3.90509 18.8126 83.8511 PRESSAVG: 4864000 9.92402 14.8464 -61.4763 14.8464 21.5173 -54.2819 -61.4763 -54.2818 -58.1962 GPRESSAVG: 4864000 11.2142 14.2419 -61.738 15.9332 20.0747 -52.6684 -61.4601 -56.9904 -57.4668 TIMING: 4864000 CPU: 14435.2, 0.00296607/step Wall: 14435.2, 0.00296607/step, 0.112051 hours remaining, 209.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4864000 748.4726 2134.8784 1940.5038 104.2531 -206449.8770 18006.1864 0.0000 0.0000 34131.5274 -149384.0553 298.0791 -183515.5827 -149299.0988 298.5267 153.1586 186.7034 556160.0454 -8.9183 -8.7259 PRESSURE: 4864200 33.4035 31.4436 51.1824 31.4431 118.516 36.8237 51.1826 36.823 58.1561 GPRESSURE: 4864200 105.825 5.52411 39.7404 110.918 205.308 18.6013 13.7847 75.9786 3.13608 PRESSAVG: 4864200 29.501 39.8978 -44.6812 39.8978 -16.5608 -14.603 -44.6813 -14.603 6.4603 GPRESSAVG: 4864200 28.0883 40.202 -46.5708 37.5757 -14.5421 -13.521 -44.3797 -14.1527 5.91319 TIMING: 4864200 CPU: 14435.8, 0.00295613/step Wall: 14435.8, 0.00295613/step, 0.111512 hours remaining, 209.265625 MB of memory in use. ENERGY: 4864200 774.7458 2117.6652 1935.5076 108.7762 -206630.6566 18036.4203 0.0000 0.0000 34215.4709 -149442.0706 298.8122 -183657.5415 -149342.5573 299.1881 70.0252 104.7563 557179.2159 6.4668 6.4865 LDB: ============= START OF LOAD BALANCING ============== 14439.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14439.3 LDB: =============== DONE WITH MIGRATION ================ 14439.3 LDB: ============= START OF LOAD BALANCING ============== 14439.6 LDB: Largest compute 4801 load 0.024615 is 20.8% of average load 0.118324 LDB: Average compute 0.001715 is 1.4% of average load 0.118324 LDB: TIME 14439.6 LOAD: AVG 0.118324 MAX 0.198275 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.039 MB LDB: TIME 14439.6 LOAD: AVG 0.118324 MAX 0.198275 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.242 MB LDB: TIME 14439.6 LOAD: AVG 0.118324 MAX 0.198275 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.242 MB LDB: ============== END OF LOAD BALANCING =============== 14439.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14439.6 PRESSURE: 4864400 24.835 104.413 -100.433 104.414 277.331 -16.8035 -100.432 -16.802 -131.811 GPRESSURE: 4864400 75.0063 142.256 16.7371 143.169 297.402 55.3329 -111.787 35.5193 -111.013 PRESSAVG: 4864400 -64.6405 20.6729 -22.276 20.6729 -0.17489 -4.45683 -22.2759 -4.45693 79.5339 GPRESSAVG: 4864400 -63.673 20.5797 -24.0356 22.2288 -1.21382 -3.7049 -20.5975 -4.30942 79.953 TIMING: 4864400 CPU: 14436.4, 0.00303776/step Wall: 14436.4, 0.00303776/step, 0.114422 hours remaining, 208.039062 MB of memory in use. ENERGY: 4864400 783.8238 2129.3680 1940.4682 119.6921 -206819.0036 17986.1630 0.0000 0.0000 34393.4199 -149466.0687 300.3663 -183859.4886 -149364.7241 299.1573 56.7849 87.1317 556872.9106 4.9062 5.0221 PRESSURE: 4864600 -149.875 97.319 159.532 97.3199 56.5023 -41.0101 159.531 -41.0096 -112.006 GPRESSURE: 4864600 -74.3445 77.2052 105.608 126.936 73.2401 46.5127 147.485 -74.9331 -100.501 PRESSAVG: 4864600 -4.99376 -8.37934 -14.9513 -8.37924 101.344 -5.90692 -14.9513 -5.90699 -60.7907 GPRESSAVG: 4864600 -4.1587 -7.51884 -16.6963 -9.13651 100.857 -6.58327 -13.608 -6.90324 -61.5862 TIMING: 4864600 CPU: 14437, 0.00296223/step Wall: 14437, 0.00296223/step, 0.111413 hours remaining, 208.039062 MB of memory in use. ENERGY: 4864600 767.7771 2082.4901 1950.0377 116.4220 -206168.4951 17851.0974 0.0000 0.0000 34057.6327 -149343.0382 297.4338 -183400.6709 -149247.1391 298.6541 -68.4596 -33.8686 557954.4994 11.8532 11.7039 PRESSURE: 4864800 46.5487 65.1519 128.243 65.1525 -159.056 -195.391 128.244 -195.393 78.04 GPRESSURE: 4864800 29.7663 47.5304 195.634 68.6319 -164.414 -122.602 41.5073 -238.982 201.95 PRESSAVG: 4864800 -43.9933 13.6223 17.0424 13.6223 61.9997 -25.0796 17.0424 -25.0796 -12.8091 GPRESSAVG: 4864800 -45.5861 15.4161 19.1049 13.3615 62.3213 -25.8414 14.5909 -23.5788 -11.7172 TIMING: 4864800 CPU: 14437.6, 0.00293929/step Wall: 14437.6, 0.00293929/step, 0.110386 hours remaining, 208.039062 MB of memory in use. ENERGY: 4864800 736.6936 2119.8487 1933.1833 102.7588 -206540.3933 17968.6067 0.0000 0.0000 34304.0011 -149375.3011 299.5854 -183679.3022 -149280.3235 298.4829 -11.4890 22.4342 558082.1638 1.7324 1.6727 PRESSURE: 4865000 122.752 75.2871 109.797 75.286 23.0583 -50.5095 109.797 -50.5076 -98.3573 GPRESSURE: 4865000 112.567 163.791 89.3326 43.2955 46.0212 -92.0219 148.461 -11.4542 -21.1195 PRESSAVG: 4865000 -9.9301 32.2412 -30.9145 32.2412 60.7171 -4.10134 -30.9145 -4.10131 -24.2286 GPRESSAVG: 4865000 -9.17393 29.861 -29.5762 33.0709 59.654 -5.42292 -32.3111 -5.24311 -23.4934 TIMING: 4865000 CPU: 14438.2, 0.00293263/step Wall: 14438.2, 0.00293263/step, 0.109974 hours remaining, 208.039062 MB of memory in use. ENERGY: 4865000 729.1883 2114.0227 1964.1170 112.8946 -206447.3189 18005.5788 0.0000 0.0000 34209.0490 -149312.4686 298.7561 -183521.5175 -149213.4795 299.0643 15.8177 45.8230 557954.1816 8.8528 8.9956 PRESSURE: 4865200 -127.093 78.9499 -106.04 78.9511 -101.223 241.591 -106.041 241.59 144.076 GPRESSURE: 4865200 -124.702 45.8633 -110.18 16.1469 -46.1751 282.527 -70.7449 129.629 185.46 PRESSAVG: 4865200 -21.1297 32.0297 -2.5689 32.0298 -19.0911 69.4705 -2.56901 69.4706 32.6051 GPRESSAVG: 4865200 -20.7456 32.66 -3.10367 31.7343 -20.6838 73.1789 0.97423 68.1783 34.0145 TIMING: 4865200 CPU: 14438.7, 0.00295647/step Wall: 14438.7, 0.00295647/step, 0.110703 hours remaining, 208.039062 MB of memory in use. ENERGY: 4865200 757.3966 2097.0299 1968.0169 99.2694 -206758.6745 18055.5778 0.0000 0.0000 34249.9054 -149531.4785 299.1129 -183781.3839 -149432.6228 298.6909 -28.0801 4.8611 557991.9573 -2.5385 -2.4716 PRESSURE: 4865400 -223.148 -20.8796 27.8284 -20.8801 382.326 -21.7775 27.8273 -21.7777 232.941 GPRESSURE: 4865400 -213.391 -23.6769 171.971 40.5279 448.556 6.83853 57.2075 -20.7882 254.388 PRESSAVG: 4865400 -49.9708 -68.2034 18.1557 -68.2035 20.7427 40.5161 18.1557 40.5161 19.5444 GPRESSAVG: 4865400 -48.6605 -68.0456 17.3439 -68.9665 21.758 39.2599 17.3342 40.7974 16.9889 TIMING: 4865400 CPU: 14439.3, 0.0029684/step Wall: 14439.3, 0.0029684/step, 0.110985 hours remaining, 208.039062 MB of memory in use. ENERGY: 4865400 761.3460 2062.3331 1932.2743 113.0371 -206523.3560 18062.6706 0.0000 0.0000 34181.9005 -149409.7944 298.5190 -183591.6949 -149321.7344 298.1804 130.7060 163.1843 555738.9866 -3.2279 -3.3046 PRESSURE: 4865600 16.5624 -5.28778 -169.975 -5.28729 -51.8877 -57.2468 -169.975 -57.2466 -147.944 GPRESSURE: 4865600 50.9296 57.4746 -248.953 -107.545 -19.1519 -115.939 -115.025 17.9131 -110.105 PRESSAVG: 4865600 12.5318 -55.3902 -5.64793 -55.3902 -24.4902 -1.97508 -5.64788 -1.97512 13.7544 GPRESSAVG: 4865600 11.2927 -55.487 -4.28279 -55.2774 -23.6629 -3.10602 -7.15994 -1.49538 14.3544 TIMING: 4865600 CPU: 14439.9, 0.00299258/step Wall: 14439.9, 0.00299258/step, 0.111723 hours remaining, 208.039062 MB of memory in use. ENERGY: 4865600 773.1105 2095.2972 1925.8805 112.8720 -206384.4136 17681.3114 0.0000 0.0000 34196.3773 -149599.5648 298.6455 -183795.9420 -149513.6091 298.7756 -61.0897 -26.1090 556256.4345 0.5987 0.6614 PRESSURE: 4865800 -135.882 -25.2076 108.741 -25.2072 -315.97 43.0622 108.741 43.0626 -109.762 GPRESSURE: 4865800 -46.3737 -59.7584 166.68 -1.51909 -320.196 23.4753 125.128 20.2516 -95.5966 PRESSAVG: 4865800 83.7228 -36.9937 -0.359135 -36.9936 -85.8896 -63.499 -0.359093 -63.499 37.6544 GPRESSAVG: 4865800 84.4297 -36.8293 -3.42196 -37.021 -85.784 -62.3728 2.59613 -62.7759 37.5904 TIMING: 4865800 CPU: 14440.5, 0.00299823/step Wall: 14440.5, 0.00299823/step, 0.111767 hours remaining, 208.039062 MB of memory in use. ENERGY: 4865800 745.0216 2121.8837 1949.4937 114.5975 -206201.0428 17637.0612 0.0000 0.0000 33968.3883 -149664.5968 296.6544 -183632.9851 -149564.6212 297.8618 -187.2047 -154.0555 558754.7502 11.8292 12.0787 PRESSURE: 4866000 50.427 260.818 52.7962 260.818 154.628 -43.0914 52.7957 -43.091 64.6224 GPRESSURE: 4866000 86.9032 378.053 28.541 153.908 182.321 -7.59274 47.6143 -12.2635 95.2628 PRESSAVG: 4866000 -24.3173 21.4377 6.39825 21.4378 -57.2218 -32.9221 6.39818 -32.9222 78.9559 GPRESSAVG: 4866000 -24.6117 20.8274 9.69714 20.209 -56.8515 -34.9001 4.37295 -33.2703 78.2787 TIMING: 4866000 CPU: 14441.1, 0.00297283/step Wall: 14441.1, 0.00297283/step, 0.110655 hours remaining, 208.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4866000 736.5151 2056.7958 1936.5002 114.3045 -206708.3004 17954.8773 0.0000 0.0000 34111.9904 -149797.3171 297.9085 -183909.3076 -149698.3593 298.0457 89.8923 121.4957 557261.7492 -0.8611 -1.0615 PRESSURE: 4866200 -172.941 220.442 -7.78577 220.442 -64.5449 35.9783 -7.78445 35.9788 -118.816 GPRESSURE: 4866200 -117.577 187.144 46.7597 234.782 -91.4082 22.6451 -27.4285 23.164 -46.0693 PRESSAVG: 4866200 -25.5501 32.8572 -2.20046 32.8573 57.8661 -0.681419 -2.20038 -0.68144 -8.81016 GPRESSAVG: 4866200 -26.486 33.7581 -3.06113 33.9687 57.7324 0.206816 -1.5901 -0.551375 -7.86403 TIMING: 4866200 CPU: 14441.7, 0.00297095/step Wall: 14441.7, 0.00297096/step, 0.110421 hours remaining, 208.039062 MB of memory in use. ENERGY: 4866200 763.4221 2075.1627 1908.2765 109.2193 -206497.1494 17619.6603 0.0000 0.0000 34239.6474 -149781.7612 299.0234 -184021.4086 -149679.5709 297.5610 -118.7671 -85.0182 556583.4605 7.8353 7.7941 PRESSURE: 4866400 -172.091 -47.0621 42.5074 -47.0618 238.882 -69.8508 42.5067 -69.8502 -78.9255 GPRESSURE: 4866400 -140.488 -17.4923 4.36685 -70.3753 204.249 -34.6824 70.5181 -121.279 23.6347 PRESSAVG: 4866400 -51.9567 -4.88195 30.9662 -4.88198 67.0446 -19.1722 30.9662 -19.1722 -11.636 GPRESSAVG: 4866400 -51.9431 -3.36317 33.0306 -4.70252 66.6783 -20.7062 31.0992 -17.3385 -11.5807 TIMING: 4866400 CPU: 14442.3, 0.00295177/step Wall: 14442.3, 0.00295177/step, 0.109543 hours remaining, 208.039062 MB of memory in use. ENERGY: 4866400 737.0685 2065.8368 1937.7040 118.8206 -206791.5191 18091.1267 0.0000 0.0000 33955.1557 -149885.8068 296.5388 -183840.9625 -149786.0869 297.2556 -4.0448 29.1319 556903.3116 1.1506 1.0515 PRESSURE: 4866600 187.578 -35.1359 59.069 -35.1366 199.037 -109.976 59.0678 -109.975 178.508 GPRESSURE: 4866600 221.728 -63.8553 59.1743 -63.3817 234.971 -141.843 -15.3154 -153.764 206.116 PRESSAVG: 4866600 -0.689072 8.23786 25.6976 8.23791 44.9695 -19.0027 25.6976 -19.0027 -26.853 GPRESSAVG: 4866600 -0.362787 8.36921 22.0624 8.25709 44.8088 -17.4248 25.4426 -21.0123 -26.8053 TIMING: 4866600 CPU: 14442.9, 0.00293606/step Wall: 14442.9, 0.00293606/step, 0.108797 hours remaining, 208.039062 MB of memory in use. ENERGY: 4866600 702.4999 1998.6629 1933.1756 105.3837 -206878.3177 18135.1140 0.0000 0.0000 34081.7391 -149921.7425 297.6443 -184003.4816 -149825.1230 297.7094 188.3744 220.9385 556677.3202 5.8091 5.8802 PRESSURE: 4866800 -145.59 -3.3546 73.2192 -3.35393 -52.2502 161.938 73.2207 161.938 128.924 GPRESSURE: 4866800 -119.675 -25.0918 21.3344 38.4661 -3.0207 45.7534 66.3414 163.814 164.721 PRESSAVG: 4866800 -11.4765 16.2952 18.9581 16.2952 -12.6577 43.1343 18.9581 43.1343 29.0706 GPRESSAVG: 4866800 -10.5637 15.2233 22.8806 16.5253 -11.93 41.3266 19.0845 44.4143 27.656 TIMING: 4866800 CPU: 14443.5, 0.00294514/step Wall: 14443.5, 0.00294514/step, 0.10897 hours remaining, 208.039062 MB of memory in use. ENERGY: 4866800 729.5535 2082.2435 1930.2215 106.5234 -206612.3259 17843.0695 0.0000 0.0000 34260.3715 -149660.3430 299.2043 -183920.7146 -149571.7290 298.0758 -22.9720 14.0084 557405.6725 1.6455 1.7208 PRESSURE: 4867000 -233.219 -98.149 3.51415 -98.1494 72.9796 -180.694 3.51398 -180.694 -419.196 GPRESSURE: 4867000 -204.438 -39.7598 -10.1065 -93.135 116.837 -330.252 19.0926 -101.008 -403.121 PRESSAVG: 4867000 7.04783 -14.0617 29.5495 -14.0617 -26.8301 -39.9137 29.5494 -39.9136 -13.8477 GPRESSAVG: 4867000 5.12205 -13.2915 27.5673 -14.9865 -26.5837 -38.7781 29.7839 -39.5418 -12.614 TIMING: 4867000 CPU: 14444.1, 0.00294731/step Wall: 14444.1, 0.00294731/step, 0.108887 hours remaining, 208.039062 MB of memory in use. ENERGY: 4867000 746.3170 2112.5855 1924.6126 114.3954 -206049.4267 17589.7255 0.0000 0.0000 34127.9315 -149433.8594 298.0477 -183561.7908 -149338.8903 298.9653 -193.1450 -163.5741 558008.4846 -11.2100 -11.3586 PRESSURE: 4867200 249.512 11.4038 137.633 11.4028 154.705 -49.4301 137.631 -49.4303 32.9089 GPRESSURE: 4867200 202.693 45.9485 168.93 71.5657 310.486 -89.8307 87.3715 -22.9013 31.5291 PRESSAVG: 4867200 3.96469 -38.8412 39.1825 -38.8411 -8.95114 -63.0693 39.1825 -63.0692 -42.9275 GPRESSAVG: 4867200 5.00558 -41.4865 37.3471 -36.5702 -7.96776 -62.5967 41.2445 -63.7679 -45.5082 TIMING: 4867200 CPU: 14444.7, 0.002962/step Wall: 14444.7, 0.00296201/step, 0.109265 hours remaining, 208.039062 MB of memory in use. ENERGY: 4867200 704.5649 2129.2441 1946.9403 121.3018 -206564.4343 18088.8872 0.0000 0.0000 34335.4185 -149238.0776 299.8597 -183573.4961 -149136.8885 299.0654 145.7087 181.5695 557270.6139 -15.9713 -16.1568 PRESSURE: 4867400 -379.575 -22.1558 -172.045 -22.1545 238.781 30.6962 -172.045 30.6968 20.7168 GPRESSURE: 4867400 -322.184 -113.072 -117.705 16.7755 255.204 58.4771 -109.145 -53.4445 52.0216 PRESSAVG: 4867400 -14.1139 -9.74907 -52.1023 -9.74904 4.71641 -29.8481 -52.1023 -29.8482 -2.92504 GPRESSAVG: 4867400 -15.6443 -8.60002 -51.6079 -11.3815 5.14296 -31.6688 -51.4929 -28.7679 -1.87364 TIMING: 4867400 CPU: 14445.3, 0.00292468/step Wall: 14445.3, 0.00292468/step, 0.107726 hours remaining, 208.039062 MB of memory in use. ENERGY: 4867400 766.3222 2121.0002 1938.7829 117.5560 -206409.1030 17853.9456 0.0000 0.0000 34235.5689 -149375.9273 298.9877 -183611.4962 -149286.6592 298.9202 -40.0258 -4.9863 556284.6677 -4.1075 -4.1250 PRESSURE: 4867600 10.1001 162.722 -210.96 162.721 170.049 -56.8014 -210.959 -56.8016 149.531 GPRESSURE: 4867600 74.5568 65.2838 -288.122 192.124 189.312 94.1585 -128.615 -107.132 176.368 PRESSAVG: 4867600 12.7005 -26.6256 -17.281 -26.6255 -49.9351 -1.04801 -17.281 -1.04799 43.1212 GPRESSAVG: 4867600 13.6607 -26.6231 -16.0896 -27.1065 -51.2562 0.749432 -19.813 -2.7179 43.4322 TIMING: 4867600 CPU: 14445.8, 0.00293109/step Wall: 14445.8, 0.00293109/step, 0.107799 hours remaining, 208.039062 MB of memory in use. ENERGY: 4867600 757.0585 2085.7938 1916.7538 108.1421 -206406.2388 18100.6252 0.0000 0.0000 33904.8223 -149533.0432 296.0992 -183437.8655 -149444.1858 298.4859 109.8935 146.7458 554572.4416 1.9622 1.9456 PRESSURE: 4867800 -161.832 51.1831 23.3951 51.1829 -194.266 23.5964 23.396 23.5982 -337.113 GPRESSURE: 4867800 -78.8593 138.447 -10.586 4.27479 -169.596 -37.8267 98.3759 16.7574 -347.216 PRESSAVG: 4867800 70.0227 32.1731 47.3621 32.1732 -34.1733 29.4473 47.3621 29.4472 -20.5168 GPRESSAVG: 4867800 69.8788 30.9607 47.924 31.0418 -34.439 27.5881 47.7513 30.6922 -20.6974 TIMING: 4867800 CPU: 14446.4, 0.0029416/step Wall: 14446.4, 0.0029416/step, 0.108022 hours remaining, 208.039062 MB of memory in use. ENERGY: 4867800 805.2229 2064.7594 1938.0274 108.6788 -206070.5345 17541.9952 0.0000 0.0000 34075.7229 -149536.1279 297.5918 -183611.8507 -149440.4839 297.8222 -231.0705 -198.5570 555938.0215 5.1109 4.9141 PRESSURE: 4868000 270.162 114.743 -23.3208 114.742 -40.4479 -63.3052 -23.3201 -63.3042 22.0808 GPRESSURE: 4868000 268.663 101.416 -140.123 60.2596 -22.0125 -134.483 49.3534 1.5289 101.481 PRESSAVG: 4868000 62.678 6.4827 -5.4426 6.4828 -24.0678 42.4214 -5.44267 42.4214 -20.3013 GPRESSAVG: 4868000 61.736 7.19683 -6.42821 7.72882 -24.2013 40.7649 -4.84121 45.1926 -19.5624 TIMING: 4868000 CPU: 14447, 0.00294507/step Wall: 14447, 0.00294507/step, 0.107986 hours remaining, 208.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4868000 751.9749 2061.6308 1938.6218 121.7094 -206755.2975 18073.2757 0.0000 0.0000 34339.2728 -149468.8122 299.8934 -183808.0850 -149370.6694 298.7137 83.9316 116.0438 557082.7694 6.1030 5.9907 PRESSURE: 4868200 -182.931 107.775 -98.0294 107.777 239.621 -57.648 -98.0295 -57.6476 114.143 GPRESSURE: 4868200 -50.4729 165.682 -96.1129 63.6755 248.646 -22.1096 -79.1046 -27.7417 72.3322 PRESSAVG: 4868200 -22.1772 20.7691 -7.33037 20.7691 7.06232 19.3284 -7.3303 19.3284 37.1823 GPRESSAVG: 4868200 -23.3082 21.5851 -6.68622 20.1736 7.88938 23.4329 -7.66503 15.3736 37.48 TIMING: 4868200 CPU: 14447.6, 0.00294652/step Wall: 14447.6, 0.00294652/step, 0.107875 hours remaining, 208.039062 MB of memory in use. ENERGY: 4868200 771.7425 2054.3870 1936.6091 117.5988 -206664.8386 18092.8225 0.0000 0.0000 34279.1619 -149412.5167 299.3684 -183691.6786 -149315.8904 298.9195 56.9444 90.1685 556605.1000 7.3558 7.3537 LDB: ============= START OF LOAD BALANCING ============== 14451.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14451.2 LDB: =============== DONE WITH MIGRATION ================ 14451.2 LDB: ============= START OF LOAD BALANCING ============== 14451.4 LDB: Largest compute 4801 load 0.024037 is 20.3% of average load 0.118248 LDB: Average compute 0.001719 is 1.5% of average load 0.118248 LDB: TIME 14451.5 LOAD: AVG 0.118248 MAX 0.194743 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.578 MB LDB: TIME 14451.5 LOAD: AVG 0.118248 MAX 0.194743 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.578 MB LDB: TIME 14451.5 LOAD: AVG 0.118248 MAX 0.194743 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14451.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14451.5 PRESSURE: 4868400 -258.439 347.579 26.4518 347.58 119.495 -71.9012 26.4516 -71.9021 -199.933 GPRESSURE: 4868400 -198.56 334.247 43.4273 319.724 147.387 -52.4014 66.656 -57.7452 -196.402 PRESSAVG: 4868400 24.9044 16.7608 -20.229 16.7608 17.1603 -4.22116 -20.2289 -4.22102 -28.7494 GPRESSAVG: 4868400 27.4967 14.7255 -19.6897 19.7681 16.2181 -5.74556 -20.405 -4.19635 -30.5334 TIMING: 4868400 CPU: 14448.2, 0.00299161/step Wall: 14448.2, 0.00299161/step, 0.10936 hours remaining, 209.578125 MB of memory in use. ENERGY: 4868400 765.4765 2058.6618 1924.9879 112.5630 -206107.1895 17612.9919 0.0000 0.0000 34349.4651 -149283.0432 299.9824 -183632.5084 -149188.8309 299.4138 -112.9586 -82.5249 557082.6779 4.4385 4.3938 PRESSURE: 4868600 188.5 -19.9241 -198.276 -19.9227 -36.0416 -2.96178 -198.277 -2.96054 126.77 GPRESSURE: 4868600 205.387 28.1249 -200.447 -41.1872 20.4716 40.9539 -188.823 -36.4329 150.436 PRESSAVG: 4868600 -39.8796 29.1946 9.12982 29.1946 -15.2891 12.9492 9.12991 12.9493 40.7017 GPRESSAVG: 4868600 -40.8929 31.9379 8.30687 27.7766 -15.3566 10.6221 8.30869 15.9033 41.6663 TIMING: 4868600 CPU: 14448.8, 0.00297026/step Wall: 14448.8, 0.00297026/step, 0.108415 hours remaining, 209.578125 MB of memory in use. ENERGY: 4868600 726.9085 2101.5730 1907.7639 116.0739 -206491.3005 17861.3768 0.0000 0.0000 34369.0082 -149408.5963 300.1531 -183777.6045 -149315.7186 298.9081 93.0762 125.4313 557066.5018 -4.8223 -4.8611 PRESSURE: 4868800 -87.4124 -14.4572 -199.853 -14.4578 -149.168 -26.7813 -199.854 -26.7812 -296.718 GPRESSURE: 4868800 -71.9473 -46.0005 -87.5781 57.6886 -110.327 1.4026 -127.025 -19.4554 -248.47 PRESSAVG: 4868800 -5.81031 -24.7466 -48.0239 -24.7466 6.10069 -2.41756 -48.0239 -2.41735 -15.283 GPRESSAVG: 4868800 -5.78996 -27.0646 -48.0925 -23.8472 7.56808 0.993802 -45.531 -3.3322 -15.9632 TIMING: 4868800 CPU: 14449.4, 0.00295829/step Wall: 14449.4, 0.00295829/step, 0.107813 hours remaining, 209.578125 MB of memory in use. ENERGY: 4868800 774.8124 2128.6332 1932.3919 100.9387 -206061.4486 17606.4091 0.0000 0.0000 34162.8452 -149355.4181 298.3526 -183518.2633 -149259.6855 298.8541 -177.7662 -143.5814 557705.9816 -4.9976 -4.7284 PRESSURE: 4869000 -51.4735 177.259 -25.6297 177.259 102.943 -53.4167 -25.6286 -53.4158 195.488 GPRESSURE: 4869000 -54.6713 210.934 -76.0954 150.922 127.062 -2.18314 -103.658 -38.4828 266.427 PRESSAVG: 4869000 -38.9378 34.8728 -3.07151 34.8728 19.747 72.2132 -3.07149 72.2133 39.7687 GPRESSAVG: 4869000 -38.4746 35.434 -2.94243 33.8345 18.8931 71.8457 -6.81721 71.5817 40.067 TIMING: 4869000 CPU: 14450, 0.00293975/step Wall: 14450, 0.00293975/step, 0.106974 hours remaining, 209.578125 MB of memory in use. ENERGY: 4869000 748.1348 2073.8258 1910.7165 108.0923 -206273.1146 17817.3740 0.0000 0.0000 34071.8982 -149543.0731 297.5584 -183614.9713 -149451.8165 298.3331 82.3193 112.9392 556899.2785 6.8593 6.8285 PRESSURE: 4869200 -23.5748 -5.95939 -25.8147 -5.95823 -140.65 -7.07392 -25.8159 -7.07423 -281.987 GPRESSURE: 4869200 9.92925 -38.5474 -17.7136 -22.0107 -54.0937 -8.62041 -63.8732 -31.9389 -300.526 PRESSAVG: 4869200 -34.0805 8.98045 -10.8975 8.98047 -15.1441 16.7482 -10.8975 16.7481 41.7649 GPRESSAVG: 4869200 -34.231 9.79508 -12.1427 9.03467 -14.7621 14.5435 -7.42988 14.8142 42.1387 TIMING: 4869200 CPU: 14450.6, 0.00294605/step Wall: 14450.6, 0.00294605/step, 0.10704 hours remaining, 209.578125 MB of memory in use. ENERGY: 4869200 731.0784 2111.7538 1904.0715 123.4986 -205842.8176 17525.8880 0.0000 0.0000 34084.5362 -149361.9910 297.6687 -183446.5273 -149269.3028 298.5004 -148.7375 -114.8967 556560.6928 -2.4866 -2.2848 PRESSURE: 4869400 -272.293 -172.437 -33.2032 -172.437 -61.4969 19.2809 -33.2047 19.2794 -120.256 GPRESSURE: 4869400 -279.87 -254.566 -18.7408 -106.179 13.5495 10.5147 -105.158 37.4928 -84.3824 PRESSAVG: 4869400 -14.4791 23.708 38.626 23.708 87.6413 -29.336 38.626 -29.3359 -13.8928 GPRESSAVG: 4869400 -14.9527 22.7155 39.4859 23.3769 87.5971 -27.4097 37.4694 -26.3314 -13.3192 TIMING: 4869400 CPU: 14451.2, 0.00293033/step Wall: 14451.2, 0.00293033/step, 0.106306 hours remaining, 209.578125 MB of memory in use. ENERGY: 4869400 809.9005 2075.3351 1904.2928 116.4262 -206136.4962 17720.5325 0.0000 0.0000 34312.7656 -149197.2435 299.6619 -183510.0091 -149100.4362 299.3514 -151.3487 -116.9010 557326.8043 19.7565 19.7751 PRESSURE: 4869600 -154.125 2.60152 19.8368 2.60205 -110.906 -19.0447 19.8379 -19.0464 -107.775 GPRESSURE: 4869600 -112.976 -25.1672 -44.1386 71.5529 -59.4163 -25.8877 21.4269 -83.8987 -110.504 PRESSAVG: 4869600 -5.75328 -54.0216 27.1636 -54.0216 -12.1966 38.9447 27.1635 38.9447 30.3281 GPRESSAVG: 4869600 -5.1235 -53.2019 29.2459 -53.4731 -12.0949 39.0591 25.6176 37.5192 30.164 TIMING: 4869600 CPU: 14451.7, 0.00295847/step Wall: 14451.7, 0.00295847/step, 0.107162 hours remaining, 209.578125 MB of memory in use. ENERGY: 4869600 704.8044 2083.2369 1938.4813 116.4325 -206008.3151 17528.4018 0.0000 0.0000 34405.0875 -149231.8706 300.4682 -183636.9581 -149126.2200 299.3685 -124.2684 -94.2989 558714.9611 4.1261 4.3152 PRESSURE: 4869800 -268.407 -6.61297 -58.0011 -6.61227 -86.5746 95.2476 -58.0004 95.2491 -193.114 GPRESSURE: 4869800 -223.07 112.042 -96.0946 -117.609 -50.8982 29.4499 -40.0676 166.867 -188.94 PRESSAVG: 4869800 -42.5908 6.85965 20.9393 6.85963 -5.72128 21.3239 20.9393 21.324 17.2785 GPRESSAVG: 4869800 -42.9516 8.74353 20.3693 4.62558 -5.86637 21.4653 22.2044 21.0202 17.0392 TIMING: 4869800 CPU: 14452.3, 0.0029596/step Wall: 14452.3, 0.0029596/step, 0.107039 hours remaining, 209.578125 MB of memory in use. ENERGY: 4869800 722.7587 2143.8515 1903.7119 114.5753 -205729.1107 17409.6114 0.0000 0.0000 34232.4327 -149202.1692 298.9603 -183434.6019 -149102.9203 299.2735 -182.6988 -154.3026 558143.5674 -10.3445 -10.5929 PRESSURE: 4870000 210.702 -174.281 13.7289 -174.28 189.515 83.2117 13.7281 83.212 81.6984 GPRESSURE: 4870000 254.871 -103.244 -54.769 -179.232 277.427 105.649 32.304 83.6896 43.8781 PRESSAVG: 4870000 -23.9694 -1.93853 -12.4942 -1.93844 -2.68314 -3.43962 -12.4941 -3.43956 48.7583 GPRESSAVG: 4870000 -24.5083 -1.92658 -13.774 -1.73077 -1.8637 -4.37418 -10.6765 -2.6882 48.5896 TIMING: 4870000 CPU: 14452.9, 0.00293897/step Wall: 14452.9, 0.00293897/step, 0.106129 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4870000 749.8303 2170.9425 1941.1129 113.1809 -206575.2120 18092.8359 0.0000 0.0000 34338.6082 -149168.7013 299.8876 -183507.3095 -149075.0307 299.4429 160.6384 192.0590 555773.8966 7.3686 7.4059 PRESSURE: 4870200 -73.0974 52.4685 183.075 52.4691 11.3959 10.7536 183.076 10.7528 261.344 GPRESSURE: 4870200 -0.63512 59.0038 160.566 54.2023 61.6543 -67.2323 100.731 -23.1523 246.825 PRESSAVG: 4870200 -15.8529 -7.87319 -21.0785 -7.87308 32.7667 -5.11816 -21.0786 -5.11824 7.24781 GPRESSAVG: 4870200 -15.89 -8.27526 -20.3933 -7.18697 32.4148 -4.22572 -23.6333 -5.82325 8.05119 TIMING: 4870200 CPU: 14453.5, 0.00292999/step Wall: 14453.5, 0.00292999/step, 0.105642 hours remaining, 209.578125 MB of memory in use. ENERGY: 4870200 756.1936 2090.5214 1952.5931 127.7440 -206274.2540 17904.4276 0.0000 0.0000 34254.1527 -149188.6217 299.1500 -183442.7743 -149090.3234 299.1881 66.5477 102.6147 556566.1110 8.0539 8.1920 PRESSURE: 4870400 336.829 25.7621 -72.2202 25.7624 156.267 -19.4859 -72.221 -19.4853 -26.2562 GPRESSURE: 4870400 376.559 -87.8441 -60.1339 139.772 185.683 -32.5812 2.64063 129.109 -13.5623 PRESSAVG: 4870400 51.4465 6.13186 -25.1268 6.13189 -17.8321 -35.973 -25.1268 -35.973 -5.31625 GPRESSAVG: 4870400 51.9684 5.1427 -25.7226 8.20425 -18.2661 -36.4313 -25.0625 -35.0117 -5.08995 TIMING: 4870400 CPU: 14454.1, 0.00291762/step Wall: 14454.1, 0.00291762/step, 0.105034 hours remaining, 209.578125 MB of memory in use. ENERGY: 4870400 766.8138 2060.9842 1948.6258 116.1345 -206284.0444 17984.2067 0.0000 0.0000 34316.7197 -149090.5597 299.6964 -183407.2795 -148991.8945 299.5855 155.6132 182.8932 557382.1862 9.4327 9.5374 PRESSURE: 4870600 -186.694 78.68 156.476 78.6793 -301.428 -73.3718 156.477 -73.373 -185.849 GPRESSURE: 4870600 -93.089 11.0276 183.765 65.4067 -310.181 -127.414 124.283 -83.0818 -165.119 PRESSAVG: 4870600 0.948132 -18.2643 43.4907 -18.2643 -51.8094 -14.9093 43.4906 -14.9093 53.4784 GPRESSAVG: 4870600 -0.3045 -19.5672 43.7984 -19.4125 -49.859 -14.8194 44.4536 -16.5345 52.9567 TIMING: 4870600 CPU: 14454.7, 0.0029299/step Wall: 14454.7, 0.0029299/step, 0.105314 hours remaining, 209.578125 MB of memory in use. ENERGY: 4870600 765.4499 2136.1001 1962.4920 113.1148 -206081.3713 17496.1931 0.0000 0.0000 34521.6070 -149086.4143 301.4858 -183608.0213 -148988.6182 300.2355 -224.6569 -189.4631 558952.0027 0.8724 0.9311 PRESSURE: 4870800 -59.8289 17.1496 -147.926 17.1507 -135.538 -114.625 -147.925 -114.623 -115.523 GPRESSURE: 4870800 -48.5805 -6.64691 -89.517 -44.8254 -100.19 -62.7098 -167.583 -121.837 -67.6148 PRESSAVG: 4870800 -39.0139 33.5047 2.71074 33.5047 -20.7673 -33.1104 2.71064 -33.1105 40.3729 GPRESSAVG: 4870800 -36.8489 34.8059 1.48969 34.4173 -21.6428 -33.4752 4.27108 -32.4639 38.3579 TIMING: 4870800 CPU: 14455.3, 0.00291569/step Wall: 14455.3, 0.00291569/step, 0.104641 hours remaining, 209.578125 MB of memory in use. ENERGY: 4870800 746.7996 2068.3060 1944.1212 126.2244 -205971.0706 17702.4641 0.0000 0.0000 34235.7133 -149147.4420 298.9890 -183383.1553 -149048.6318 300.2197 -103.6301 -72.1285 559830.3717 -6.4694 -6.7113 PRESSURE: 4871000 -190.777 166.036 -133.364 166.036 -156.37 -89.3532 -133.364 -89.3535 156.94 GPRESSURE: 4871000 -140.972 122.575 -12.527 116.222 -126.017 -62.0209 -82.943 -93.3718 173.108 PRESSAVG: 4871000 40.7419 -26.744 21.3766 -26.744 -42.5751 41.7448 21.3766 41.7449 -0.73402 GPRESSAVG: 4871000 39.7405 -27.7528 23.0883 -26.2716 -42.2576 43.4425 20.4409 40.3622 -0.0289087 TIMING: 4871000 CPU: 14455.9, 0.00292693/step Wall: 14455.9, 0.00292693/step, 0.104882 hours remaining, 209.578125 MB of memory in use. ENERGY: 4871000 774.3263 2094.4658 1944.6916 104.0486 -205982.2307 17712.3409 0.0000 0.0000 34248.0111 -149104.3464 299.0964 -183352.3575 -149007.8251 299.4393 -63.4022 -31.2939 557466.3267 -0.8557 -0.8487 PRESSURE: 4871200 -39.9064 -145.235 -72.1514 -145.235 -51.6194 43.176 -72.1519 43.177 -166.725 GPRESSURE: 4871200 -66.0606 -209.154 -156.826 -119.282 7.52721 10.7874 -52.9699 15.21 -97.4612 PRESSAVG: 4871200 47.364 -2.35374 -21.8821 -2.35388 -53.8008 18.1255 -21.8822 18.1255 12.1911 GPRESSAVG: 4871200 46.4853 -0.0172975 -23.4857 -5.21257 -53.4247 17.2165 -23.0438 18.5554 13.095 TIMING: 4871200 CPU: 14456.4, 0.00293487/step Wall: 14456.4, 0.00293487/step, 0.105003 hours remaining, 209.578125 MB of memory in use. ENERGY: 4871200 786.3434 2144.2371 1917.2069 117.3713 -205924.8825 17637.5798 0.0000 0.0000 34078.0976 -149244.0465 297.6125 -183322.1440 -149151.8815 299.8525 -86.0835 -51.9982 557774.1448 1.9181 2.0519 PRESSURE: 4871400 -120.254 21.8096 -18.1707 21.8104 -218.606 65.0432 -18.1702 65.0425 43.9302 GPRESSURE: 4871400 -28.6202 -49.0209 -34.4524 128.07 -166.16 27.942 -3.25787 -6.87864 8.7079 PRESSAVG: 4871400 18.8344 -20.3498 -1.61817 -20.3498 -38.6288 23.1249 -1.61821 23.1249 10.8432 GPRESSAVG: 4871400 20.8038 -22.1064 -2.30355 -20.5606 -40.0348 22.607 -1.08712 24.3015 10.4909 TIMING: 4871400 CPU: 14457, 0.0029673/step Wall: 14457, 0.0029673/step, 0.105999 hours remaining, 209.578125 MB of memory in use. ENERGY: 4871400 754.7282 2121.9356 1937.2310 109.2838 -206352.6805 17747.7928 0.0000 0.0000 34355.0962 -149326.6129 300.0316 -183681.7091 -149225.6509 298.4645 -98.3099 -62.0242 557092.2065 -2.9837 -2.9134 PRESSURE: 4871600 -173.82 56.0358 25.1746 56.0378 -127.688 -160.123 25.1747 -160.123 -4.50806 GPRESSURE: 4871600 -117.981 0.279967 -16.9045 134.212 -116.345 -148.316 39.7465 -117.257 26.8641 PRESSAVG: 4871600 -44.7568 -102.225 36.0833 -102.224 -13.8424 -7.46044 36.0834 -7.46048 62.7179 GPRESSAVG: 4871600 -45.0627 -103.236 36.5642 -100.073 -13.5905 -7.7478 35.9958 -7.29907 62.3481 TIMING: 4871600 CPU: 14457.6, 0.00295744/step Wall: 14457.6, 0.00295744/step, 0.105482 hours remaining, 209.578125 MB of memory in use. ENERGY: 4871600 688.4722 2171.2370 1921.8579 109.3762 -205923.5043 17569.0992 0.0000 0.0000 34277.3855 -149186.0762 299.3529 -183463.4617 -149100.8220 299.8879 -102.0055 -69.1540 557952.6145 1.3729 1.2316 PRESSURE: 4871800 -212.386 -245.371 -119.746 -245.371 217.544 55.7777 -119.745 55.7778 179.591 GPRESSURE: 4871800 -198.04 -211.671 -164.54 -226.677 265.729 21.4711 3.76655 17.8141 207.863 PRESSAVG: 4871800 -66.4075 7.05271 43.7825 7.0527 28.0702 4.68489 43.7825 4.685 19.3324 GPRESSAVG: 4871800 -66.8516 7.33654 45.0451 6.97059 28.2498 5.61235 45.5788 3.78532 19.9453 TIMING: 4871800 CPU: 14458.2, 0.00291566/step Wall: 14458.2, 0.00291566/step, 0.10383 hours remaining, 209.578125 MB of memory in use. ENERGY: 4871800 767.5596 2070.0755 1932.6732 120.5679 -206220.9446 17814.7168 0.0000 0.0000 34317.9044 -149197.4473 299.7068 -183515.3518 -149107.4752 299.4112 61.5829 91.8509 557072.2576 -6.3350 -6.2188 PRESSURE: 4872000 4.79816 149.045 -41.7115 149.046 -18.051 28.8022 -41.7099 28.8009 24.954 GPRESSURE: 4872000 -58.1791 190.546 -49.15 69.8483 108.426 8.43052 65.1126 -20.8402 65.5333 PRESSAVG: 4872000 -19.095 -16.5964 29.2419 -16.5965 -6.60698 21.8052 29.2419 21.8052 -5.98774 GPRESSAVG: 4872000 -19.087 -16.3269 30.8365 -16.6705 -6.51953 19.2478 27.5763 23.7558 -5.96137 TIMING: 4872000 CPU: 14458.8, 0.00294308/step Wall: 14458.8, 0.00294308/step, 0.104643 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4872000 748.7644 2170.1602 1954.0322 111.3889 -206143.3840 17966.4099 0.0000 0.0000 34078.3870 -149114.2414 297.6150 -183192.6284 -149018.5108 299.1030 3.9004 38.5934 558631.8948 -10.5632 -10.5226 PRESSURE: 4872200 307.258 32.7679 18.4153 32.769 -179.684 -77.1311 18.4163 -77.1314 108.006 GPRESSURE: 4872200 364.362 57.6044 7.10306 74.4099 -198.309 -50.9624 9.96559 -108.137 160.656 PRESSAVG: 4872200 -21.8143 33.8476 67.2087 33.8477 -5.54799 -33.2386 67.2087 -33.2386 19.1483 GPRESSAVG: 4872200 -22.292 32.1826 66.9776 34.8585 -6.00348 -31.751 67.1866 -35.6463 20.184 TIMING: 4872200 CPU: 14459.4, 0.00295241/step Wall: 14459.4, 0.00295241/step, 0.104811 hours remaining, 209.578125 MB of memory in use. ENERGY: 4872200 745.3038 2093.3186 1964.0833 109.2568 -206192.7225 17892.2525 0.0000 0.0000 34176.1977 -149212.3098 298.4692 -183388.5075 -149118.0962 298.5981 78.5266 108.9030 557137.0837 -2.7380 -2.7038 LDB: ============= START OF LOAD BALANCING ============== 14462.9 LDB: ============== END OF LOAD BALANCING =============== 14462.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14462.9 LDB: ============= START OF LOAD BALANCING ============== 14463.2 LDB: Largest compute 4801 load 0.022857 is 19.3% of average load 0.118298 LDB: Average compute 0.001714 is 1.4% of average load 0.118298 LDB: TIME 14463.2 LOAD: AVG 0.118298 MAX 0.194654 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.793 MB LDB: TIME 14463.2 LOAD: AVG 0.118298 MAX 0.194654 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.992 MB LDB: TIME 14463.2 LOAD: AVG 0.118298 MAX 0.194654 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.992 MB LDB: ============== END OF LOAD BALANCING =============== 14463.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14463.2 PRESSURE: 4872400 -201.249 -32.9905 76.8134 -32.9918 57.8152 13.332 76.8121 13.3323 132.672 GPRESSURE: 4872400 -165.553 -12.5283 44.9766 -70.4885 98.8841 30.962 13.4394 12.6005 146.661 PRESSAVG: 4872400 56.2017 9.63261 36.1539 9.6326 21.4369 -2.92254 36.1539 -2.92244 -39.1681 GPRESSAVG: 4872400 57.057 9.83313 35.1357 8.95387 20.9543 -2.77613 35.4342 -2.28044 -39.4489 TIMING: 4872400 CPU: 14460, 0.00298759/step Wall: 14460, 0.00298759/step, 0.105893 hours remaining, 209.316406 MB of memory in use. ENERGY: 4872400 739.8267 2126.3119 1957.0863 104.4774 -206104.2278 17926.0439 0.0000 0.0000 34135.9355 -149114.5462 298.1176 -183250.4817 -149020.9986 298.5083 -3.5872 26.6642 558068.0729 12.8235 12.8541 PRESSURE: 4872600 -2.52763 4.0356 236.175 4.03686 -214.531 -190.009 236.173 -190.009 64.0022 GPRESSURE: 4872600 49.5657 -27.841 110.82 -96.4606 -116.954 -183.871 241.419 -118.68 11.963 PRESSAVG: 4872600 -0.646088 3.83318 -23.6869 3.83321 4.15678 -10.2503 -23.6869 -10.2504 8.64114 GPRESSAVG: 4872600 0.247055 6.08498 -23.5806 1.84237 4.85426 -9.77903 -26.265 -9.2618 7.89202 TIMING: 4872600 CPU: 14460.6, 0.00293771/step Wall: 14460.6, 0.00293771/step, 0.103962 hours remaining, 209.316406 MB of memory in use. ENERGY: 4872600 772.9562 2130.2070 1919.5206 111.8988 -206415.3373 17927.1834 0.0000 0.0000 34489.4052 -149064.1661 301.2046 -183553.5712 -148967.2553 300.1637 -51.0189 -18.4752 558519.4446 4.0506 4.3311 PRESSURE: 4872800 -62.9804 -137.221 -55.0271 -137.221 -221.377 -93.2702 -55.0274 -93.2693 -110.723 GPRESSURE: 4872800 -35.6253 -248.273 -52.7424 -132.694 -240.384 -82.8154 -91.4179 -84.9008 -16.6084 PRESSAVG: 4872800 -52.7884 -27.8008 24.7643 -27.8007 -9.03968 -52.812 24.7643 -52.8119 52.9476 GPRESSAVG: 4872800 -53.545 -29.8202 23.4474 -25.8747 -8.68875 -52.3626 27.5418 -56.0219 53.2206 TIMING: 4872800 CPU: 14461.2, 0.00293211/step Wall: 14461.2, 0.00293211/step, 0.103601 hours remaining, 209.316406 MB of memory in use. ENERGY: 4872800 779.1060 2118.7521 1916.8652 120.4650 -206083.9407 17691.9071 0.0000 0.0000 34376.2809 -149080.5643 300.2166 -183456.8452 -148984.7408 299.7806 -131.6933 -97.5392 558466.2842 -2.9602 -3.0044 PRESSURE: 4873000 -142.876 -143.498 -22.1511 -143.498 156.033 30.683 -22.1505 30.6822 181.68 GPRESSURE: 4873000 -117.562 -90.3754 -0.0577774 -123.363 109.134 10.3978 -10.1371 47.8308 281.394 PRESSAVG: 4873000 31.7864 17.8686 0.996538 17.8686 -24.4012 7.91682 0.996489 7.91688 -8.38935 GPRESSAVG: 4873000 30.9736 19.3431 1.33146 16.7331 -24.0829 7.21947 1.75937 9.59192 -7.10805 TIMING: 4873000 CPU: 14461.7, 0.00294662/step Wall: 14461.7, 0.00294662/step, 0.10395 hours remaining, 209.316406 MB of memory in use. ENERGY: 4873000 742.1922 2172.1015 1917.3038 109.1678 -206431.6586 18057.7621 0.0000 0.0000 34304.8718 -149128.2593 299.5930 -183433.1311 -149025.2922 300.2917 64.9457 90.9888 557296.1032 -0.3347 -0.0725 PRESSURE: 4873200 -63.3679 113.524 -118.239 113.524 113.579 -22.4643 -118.239 -22.4647 -80.5788 GPRESSURE: 4873200 40.4458 210.46 -142.128 21.7203 102.112 71.3929 -73.6616 31.8373 -71.2628 PRESSAVG: 4873200 32.7026 33.9805 68.527 33.9806 -16.1067 19.4829 68.527 19.4827 -1.93666 GPRESSAVG: 4873200 33.5887 33.7657 69.6551 35.306 -16.5816 20.5026 66.4607 19.8994 -3.30478 TIMING: 4873200 CPU: 14462.3, 0.0029622/step Wall: 14462.3, 0.0029622/step, 0.104335 hours remaining, 209.316406 MB of memory in use. ENERGY: 4873200 752.4526 2105.8057 1945.8108 114.7084 -206065.7655 17835.6899 0.0000 0.0000 34211.2310 -149100.0670 298.7752 -183311.2980 -149007.9939 300.5293 -10.1225 23.7649 557869.8656 4.8864 4.5674 PRESSURE: 4873400 -176.566 -268.931 254.801 -268.93 -232.069 32.2554 254.801 32.2543 257.491 GPRESSURE: 4873400 -162.959 -206.548 231.215 -268.255 -149.31 140.953 290.31 -20.5619 257.695 PRESSAVG: 4873400 -16.3125 -33.9187 71.1131 -33.9187 65.2408 1.77093 71.1131 1.77087 -16.1249 GPRESSAVG: 4873400 -16.9446 -32.667 70.0799 -35.4955 65.1762 0.902271 73.7216 1.76836 -15.5031 TIMING: 4873400 CPU: 14462.9, 0.00297752/step Wall: 14462.9, 0.00297752/step, 0.104709 hours remaining, 209.316406 MB of memory in use. ENERGY: 4873400 740.0584 2098.4423 1949.3734 111.8425 -206278.6032 17736.6905 0.0000 0.0000 34490.3220 -149151.8740 301.2126 -183642.1960 -149058.7671 299.6852 -50.3814 -18.1911 558344.8252 10.9344 10.9095 PRESSURE: 4873600 -260.201 86.1018 162.21 86.1007 -198.247 16.5022 162.211 16.5036 -24.2771 GPRESSURE: 4873600 -173.426 62.8604 135.281 84.1485 -172.085 29.8463 162.147 -50.7241 -22.4891 PRESSAVG: 4873600 -36.8941 -15.8886 27.4241 -15.8886 -82.7687 78.1503 27.4241 78.1502 91.9464 GPRESSAVG: 4873600 -36.4479 -15.9937 26.394 -15.8755 -82.1923 77.6132 26.0681 76.1988 91.4304 TIMING: 4873600 CPU: 14463.5, 0.00293455/step Wall: 14463.5, 0.00293455/step, 0.103035 hours remaining, 209.316406 MB of memory in use. ENERGY: 4873600 747.5085 2097.3882 1942.1060 112.2050 -206012.3289 17764.1946 0.0000 0.0000 34182.1644 -149166.7622 298.5213 -183348.9267 -149078.2808 299.5562 -160.9083 -122.6665 559998.7725 -9.2388 -9.0699 PRESSURE: 4873800 -260.722 58.7706 195.607 58.7706 -153.5 90.5028 195.605 90.5046 66.9355 GPRESSURE: 4873800 -214.65 71.7762 233.958 111.945 -110.789 6.96665 219.188 -24.859 67.3354 PRESSAVG: 4873800 -68.833 5.31481 19.1777 5.31474 -31.361 25.1261 19.1778 25.126 74.4989 GPRESSAVG: 4873800 -69.6502 5.37233 21.4331 5.85379 -31.4727 25.1907 18.0904 25.7427 75.1937 TIMING: 4873800 CPU: 14464.1, 0.00294536/step Wall: 14464.1, 0.00294536/step, 0.103251 hours remaining, 209.316406 MB of memory in use. ENERGY: 4873800 739.2836 2100.6787 1936.6458 110.9930 -206143.5918 17887.5056 0.0000 0.0000 34297.9768 -149070.5082 299.5328 -183368.4850 -148977.0052 299.5776 -115.7620 -86.0344 558546.5668 -8.5650 -8.6431 PRESSURE: 4874000 -184.538 85.6872 173.095 85.6865 35.382 -240.456 173.096 -240.457 109.378 GPRESSURE: 4874000 -160.36 99.0293 125.332 142.774 100.611 -208.943 169.085 -109.933 105.264 PRESSAVG: 4874000 -12.1068 73.6077 25.1513 73.6077 -34.3956 -32.8151 25.1513 -32.8151 81.7379 GPRESSAVG: 4874000 -12.3852 72.2524 22.6002 74.9313 -33.0336 -31.8963 26.9545 -30.0658 81.2333 TIMING: 4874000 CPU: 14464.7, 0.0029392/step Wall: 14464.7, 0.0029392/step, 0.102872 hours remaining, 209.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4874000 742.3745 2095.9591 1939.0572 109.4214 -205997.2954 17756.2173 0.0000 0.0000 34320.6240 -149033.6417 299.7305 -183354.2658 -148939.3309 300.2928 -13.2595 15.1712 558782.4631 11.7452 11.9382 PRESSURE: 4874200 -230.992 75.3204 -97.6272 75.3219 -140.233 -100.463 -97.6257 -100.463 -270.273 GPRESSURE: 4874200 -146.712 100.381 -64.7816 91.9023 -108.688 -63.9898 -81.2604 -61.08 -292.908 PRESSAVG: 4874200 24.8184 68.0183 4.52489 68.0183 -1.59588 10.8313 4.52489 10.8314 9.46423 GPRESSAVG: 4874200 26.0867 68.6014 4.90282 67.6217 -2.3403 11.0489 4.16899 9.43649 9.26047 TIMING: 4874200 CPU: 14465.3, 0.00292347/step Wall: 14465.3, 0.00292347/step, 0.102159 hours remaining, 209.316406 MB of memory in use. ENERGY: 4874200 779.3329 2121.0669 1961.9674 108.3009 -205953.2530 17625.3085 0.0000 0.0000 34256.5359 -149100.7405 299.1708 -183357.2764 -149000.4262 299.1040 -213.8325 -182.7694 559672.8058 10.8956 11.0023 PRESSURE: 4874400 -4.70854 -91.9664 -11.8303 -91.965 -295.953 -79.5256 -11.8302 -79.5262 -234.559 GPRESSURE: 4874400 -13.2675 -124.252 66.2495 -49.8153 -230.802 -109.014 -104.227 -31.4273 -188.037 PRESSAVG: 4874400 -20.9229 8.95655 19.0138 8.95662 -45.4007 -34.4667 19.0137 -34.4667 76.2988 GPRESSAVG: 4874400 -22.1765 8.43716 19.439 9.68531 -44.8919 -34.7527 18.4466 -34.8697 77.2219 TIMING: 4874400 CPU: 14465.9, 0.00295611/step Wall: 14465.9, 0.00295611/step, 0.103135 hours remaining, 209.316406 MB of memory in use. ENERGY: 4874400 742.5011 2049.2447 1942.7653 103.3272 -206073.3999 17734.1492 0.0000 0.0000 34283.8700 -149217.5425 299.4096 -183501.4125 -149109.7147 299.4182 -178.4066 -144.0355 559828.0782 3.3251 3.3845 PRESSURE: 4874600 43.4635 -173.176 71.0852 -173.177 -34.7507 53.2525 71.0859 53.2526 178.704 GPRESSURE: 4874600 158.433 -151.384 -5.57417 -39.9393 -46.3391 -39.2559 208.342 -8.2643 178.657 PRESSAVG: 4874600 50.6092 19.9607 -11.2473 19.9607 -64.9743 -13.2266 -11.2473 -13.2265 2.01959 GPRESSAVG: 4874600 51.2013 21.2213 -10.6229 19.5819 -65.6667 -11.1952 -11.8975 -13.5678 1.86435 TIMING: 4874600 CPU: 14466.5, 0.00294281/step Wall: 14466.5, 0.00294281/step, 0.102508 hours remaining, 209.316406 MB of memory in use. ENERGY: 4874600 724.5195 2055.8583 1953.4253 115.7644 -206081.8278 17819.7328 0.0000 0.0000 34243.6470 -149168.8803 299.0583 -183412.5274 -149078.4593 299.1583 62.4724 96.9168 557806.5903 -4.1152 -4.2003 PRESSURE: 4874800 166.157 203.71 32.4234 203.711 257.592 -27.1121 32.4237 -27.112 202.424 GPRESSURE: 4874800 165.925 169.587 74.8801 159.616 329.441 18.0256 -5.56697 36.1497 227.199 PRESSAVG: 4874800 -71.2737 -9.94664 13.6654 -9.9467 42.0746 31.5207 13.6654 31.5208 28.4635 GPRESSAVG: 4874800 -71.9488 -12.1232 14.7235 -10.1493 42.8365 30.6724 13.6059 32.1328 28.7755 TIMING: 4874800 CPU: 14467.1, 0.00295405/step Wall: 14467.1, 0.00295405/step, 0.102735 hours remaining, 209.316406 MB of memory in use. ENERGY: 4874800 735.5825 2130.6297 1911.7161 117.0404 -206405.7785 18079.6776 0.0000 0.0000 34423.4790 -149007.6531 300.6288 -183431.1321 -148904.8403 299.7786 208.7242 240.8548 557337.9174 -0.2452 -0.1123 PRESSURE: 4875000 217.114 93.9846 57.344 93.9843 -95.0828 -34.1778 57.344 -34.1777 2.73288 GPRESSURE: 4875000 259.376 48.6845 104.693 134.29 -62.4672 62.6945 2.31263 -123.235 28.06 PRESSAVG: 4875000 20.4572 14.1343 14.5361 14.1342 -44.0916 -10.6947 14.5359 -10.6948 43.5409 GPRESSAVG: 4875000 21.2405 16.9689 13.8024 11.6631 -44.1409 -12.8989 14.1505 -10.8757 42.8769 TIMING: 4875000 CPU: 14467.6, 0.00295886/step Wall: 14467.6, 0.00295886/step, 0.102738 hours remaining, 209.316406 MB of memory in use. ENERGY: 4875000 770.6911 2072.6014 1938.4937 114.8401 -206395.0266 17897.5582 0.0000 0.0000 34448.0134 -149152.8288 300.8431 -183600.8422 -149060.2020 300.7397 41.5881 74.9898 556885.2748 6.6355 6.6588 PRESSURE: 4875200 -253.541 4.111 -134.116 4.1106 25.4767 132.648 -134.116 132.649 -221.355 GPRESSURE: 4875200 -246.492 64.8978 -124.756 -117.661 37.5908 67.56 -86.9013 158.799 -136.837 PRESSAVG: 4875200 -35.8823 -42.6726 -6.89399 -42.6727 17.0844 -1.53946 -6.89402 -1.53955 31.7262 GPRESSAVG: 4875200 -35.832 -43.5476 -8.32258 -42.0059 15.7848 2.3311 -6.36826 -2.57915 33.2178 TIMING: 4875200 CPU: 14468.2, 0.00294968/step Wall: 14468.2, 0.00294967/step, 0.102255 hours remaining, 209.316406 MB of memory in use. ENERGY: 4875200 746.1514 2118.2206 1909.5365 108.4708 -205749.2564 17499.9114 0.0000 0.0000 34369.0191 -148997.9467 300.1532 -183366.9658 -148898.9291 299.9757 -149.8065 -115.2461 556926.9727 4.3095 4.3902 PRESSURE: 4875400 -195.839 -21.4303 -104.514 -21.4303 -116.334 -34.0231 -104.513 -34.0221 105.377 GPRESSURE: 4875400 -164.618 29.2623 -182.602 32.0717 -67.0415 -32.7221 14.3154 -49.1308 130.566 PRESSAVG: 4875400 -44.7326 -15.7822 -49.4936 -15.7823 -3.79523 3.37086 -49.4936 3.37084 45.9193 GPRESSAVG: 4875400 -44.2675 -15.5722 -47.7969 -13.7237 -2.4221 1.22394 -48.839 3.34786 44.4572 TIMING: 4875400 CPU: 14468.8, 0.00297604/step Wall: 14468.8, 0.00297604/step, 0.103004 hours remaining, 209.316406 MB of memory in use. ENERGY: 4875400 783.8030 2057.7572 1928.7932 111.3772 -205889.4005 17587.6820 0.0000 0.0000 34178.7251 -149241.2628 298.4913 -183419.9879 -149149.0665 299.4916 -68.9320 -33.6976 556616.1327 -0.8695 -0.7441 PRESSURE: 4875600 60.7999 189.914 -150.081 189.914 168.605 -48.2815 -150.081 -48.2834 -79.3498 GPRESSURE: 4875600 75.5407 268.405 -135.453 40.4505 237.584 -93.7563 -141.171 25.4011 -72.9646 PRESSAVG: 4875600 -18.845 35.5303 27.5988 35.5303 -24.6444 22.1621 27.5988 22.1623 65.1196 GPRESSAVG: 4875600 -18.9448 34.4623 25.9683 34.611 -25.2558 21.8416 26.8319 24.5933 65.1245 TIMING: 4875600 CPU: 14469.4, 0.00297377/step Wall: 14469.4, 0.00297377/step, 0.10276 hours remaining, 209.316406 MB of memory in use. ENERGY: 4875600 746.6225 2077.2880 1920.2908 107.8174 -205847.6111 17587.8542 0.0000 0.0000 34184.8006 -149222.9378 298.5444 -183407.7383 -149124.2910 299.1510 50.0184 80.0534 556668.2301 7.2101 6.9746 PRESSURE: 4875800 -4.17562 -29.8716 -22.0017 -29.8711 -102.026 101.842 -22.0019 101.841 -64.4119 GPRESSURE: 4875800 69.7101 -6.07548 0.263698 -20.8819 -75.638 146.1 30.5591 37.5176 -64.2554 PRESSAVG: 4875800 -16.8062 82.1124 -0.056266 82.1124 9.09292 -12.9052 -0.0561132 -12.9051 12.8494 GPRESSAVG: 4875800 -16.846 82.6744 2.88133 81.1927 9.09397 -12.7425 -0.106591 -13.7812 12.8165 TIMING: 4875800 CPU: 14470, 0.00296113/step Wall: 14470, 0.00296113/step, 0.102159 hours remaining, 209.316406 MB of memory in use. ENERGY: 4875800 724.2997 2052.6275 1910.8434 117.0236 -206011.0741 17672.7459 0.0000 0.0000 34301.3519 -149232.1820 299.5622 -183533.5340 -149131.4024 299.4190 -56.8713 -23.3944 557884.4592 1.7120 1.6881 PRESSURE: 4876000 81.5243 -107.339 -75.8426 -107.338 -170.99 -54.3926 -75.8436 -54.3897 115.752 GPRESSURE: 4876000 124.958 -176.124 -57.5688 -22.5496 -174.829 -91.0912 -125.585 -32.045 161.412 PRESSAVG: 4876000 0.410324 -54.6033 -19.6951 -54.6032 -30.3117 -13.3956 -19.6951 -13.3956 36.8584 GPRESSAVG: 4876000 -0.317641 -55.8131 -22.8444 -52.8992 -29.6525 -13.3418 -16.7343 -14.364 36.9019 TIMING: 4876000 CPU: 14470.6, 0.0029482/step Wall: 14470.6, 0.0029482/step, 0.101549 hours remaining, 209.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4876000 746.5285 2036.7376 1906.0112 111.1226 -206008.7471 17779.5952 0.0000 0.0000 34376.6574 -149052.0945 300.2199 -183428.7519 -148949.1068 298.6462 8.7622 37.1804 556919.0809 2.3190 2.3106 PRESSURE: 4876200 -60.1594 -4.07347 29.1996 -4.07229 12.3015 -44.0154 29.2004 -44.0154 138.622 GPRESSURE: 4876200 -52.9676 -3.33367 76.1579 -37.1639 16.0454 46.4387 29.6465 -46.9298 227.728 PRESSAVG: 4876200 19.7565 -23.9925 55.3663 -23.9925 -62.1285 -40.4985 55.3662 -40.4985 69.6615 GPRESSAVG: 4876200 19.17 -24.7596 56.0774 -24.8251 -63.7189 -40.5038 54.1505 -39.2583 71.4701 TIMING: 4876200 CPU: 14471.2, 0.00292343/step Wall: 14471.2, 0.00292343/step, 0.100533 hours remaining, 209.316406 MB of memory in use. ENERGY: 4876200 756.6391 2047.5672 1934.2627 97.2299 -206242.1923 17860.3520 0.0000 0.0000 34332.2120 -149213.9294 299.8317 -183546.1414 -149120.7698 299.8907 30.2548 63.6021 556315.1977 9.0965 8.9737 LDB: ============= START OF LOAD BALANCING ============== 14474.7 LDB: ============== END OF LOAD BALANCING =============== 14474.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14474.7 LDB: ============= START OF LOAD BALANCING ============== 14475 LDB: Largest compute 4800 load 0.022631 is 19.1% of average load 0.118306 LDB: Average compute 0.001716 is 1.5% of average load 0.118306 LDB: TIME 14475 LOAD: AVG 0.118306 MAX 0.197464 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.156 MB LDB: TIME 14475 LOAD: AVG 0.118306 MAX 0.197464 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.156 MB LDB: TIME 14475 LOAD: AVG 0.118306 MAX 0.197464 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.156 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14475 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14475 PRESSURE: 4876400 -118.346 129.491 46.4032 129.492 -94.0223 -21.2312 46.404 -21.2322 81.2576 GPRESSURE: 4876400 -92.6545 93.1666 12.4182 126.271 -29.2342 60.4737 41.875 16.7798 97.3765 PRESSAVG: 4876400 82.523 68.3203 7.26816 68.3203 -44.5085 47.295 7.26814 47.295 -1.93441 GPRESSAVG: 4876400 82.454 71.1024 8.58906 67.9915 -42.6266 48.5205 5.27494 46.6268 -3.98167 TIMING: 4876400 CPU: 14471.8, 0.00299044/step Wall: 14471.8, 0.00299044/step, 0.102672 hours remaining, 209.062500 MB of memory in use. ENERGY: 4876400 755.1331 2022.9134 1932.9534 115.5879 -206220.5701 17820.8431 0.0000 0.0000 34314.4243 -149258.7149 299.6764 -183573.1392 -149164.4392 299.6842 -43.7034 -8.1707 556006.5248 12.0267 11.9486 PRESSURE: 4876600 224.907 -136.309 -25.916 -136.309 35.4228 -28.6801 -25.9166 -28.6798 62.8733 GPRESSURE: 4876600 239.931 -77.0712 8.00483 -175.308 93.5163 -45.3896 -64.0503 59.8901 89.412 PRESSAVG: 4876600 51.3717 10.0856 49.1152 10.0857 -101.565 5.98909 49.1153 5.9892 23.5998 GPRESSAVG: 4876600 53.0011 8.03779 47.5645 10.6753 -103.138 5.4236 49.711 6.87002 23.6815 TIMING: 4876600 CPU: 14472.4, 0.0029156/step Wall: 14472.4, 0.0029156/step, 0.0999403 hours remaining, 209.320312 MB of memory in use. ENERGY: 4876600 744.3092 2034.3817 1929.7108 112.3884 -206282.6451 17984.8784 0.0000 0.0000 34304.4538 -149172.5228 299.5893 -183476.9766 -149072.8001 299.3933 107.7344 140.9530 555388.3385 -8.8644 -8.8186 PRESSURE: 4876800 -85.1198 26.2577 23.9055 26.2567 -308.897 21.0726 23.906 21.0741 69.8866 GPRESSURE: 4876800 -65.1735 21.2763 65.9466 119.073 -229.693 143.162 -89.2288 40.6461 67.3414 PRESSAVG: 4876800 23.0576 -10.4297 -18.1796 -10.4297 -6.54028 68.6201 -18.1795 68.6201 18.436 GPRESSAVG: 4876800 21.1719 -10.2811 -17.1515 -8.47764 -5.99337 71.1865 -18.8313 66.7754 19.1447 TIMING: 4876800 CPU: 14473, 0.00293318/step Wall: 14473, 0.00293318/step, 0.10038 hours remaining, 209.320312 MB of memory in use. ENERGY: 4876800 766.5862 2048.3205 1937.0800 108.2374 -205712.0548 17501.0306 0.0000 0.0000 34335.5582 -149015.2419 299.8610 -183350.8001 -148920.4459 299.7615 -108.0433 -75.8418 556953.7821 11.6511 11.4411 PRESSURE: 4877000 -398.695 -111.886 82.6602 -111.886 -79.9614 6.27909 82.6596 6.27941 71.6083 GPRESSURE: 4877000 -361.572 -132.139 32.4868 -28.2173 -49.9364 26.068 102.972 15.33 98.1261 PRESSAVG: 4877000 -28.6811 -6.74147 -18.664 -6.74155 21.4411 17.4419 -18.664 17.4419 34.4021 GPRESSAVG: 4877000 -27.3822 -7.02181 -19.5528 -8.14624 21.0283 14.9158 -19.2492 20.7179 34.025 TIMING: 4877000 CPU: 14473.5, 0.00291899/step Wall: 14473.5, 0.00291899/step, 0.0997321 hours remaining, 209.320312 MB of memory in use. ENERGY: 4877000 742.6161 2073.8036 1962.8454 117.9609 -205768.1975 17487.3449 0.0000 0.0000 34431.6084 -148952.0183 300.6998 -183383.6267 -148850.6516 299.6110 -135.6826 -104.4606 557050.8425 9.0540 9.2237 PRESSURE: 4877200 91.5362 -10.8558 7.28857 -10.8558 -111.516 142.824 7.28869 142.823 357.518 GPRESSURE: 4877200 170.457 17.8706 -16.2059 -51.4335 -62.3291 34.5683 -73.4033 187.511 336.31 PRESSAVG: 4877200 -57.8408 -45.5535 5.86212 -45.5535 11.4394 29.1986 5.86217 29.1986 -3.30197 GPRESSAVG: 4877200 -58.0468 -45.7654 4.00558 -46.0712 11.3519 30.9183 7.46411 25.5392 -2.92311 TIMING: 4877200 CPU: 14474.1, 0.00290257/step Wall: 14474.1, 0.00290257/step, 0.09901 hours remaining, 209.320312 MB of memory in use. ENERGY: 4877200 727.1758 2108.9228 1906.9617 111.2344 -206111.4866 18017.6067 0.0000 0.0000 34372.4006 -148867.1847 300.1827 -183239.5853 -148769.8953 299.7641 112.5127 148.1460 558287.5680 -16.5678 -16.5393 PRESSURE: 4877400 -9.17769 -53.3755 45.9887 -53.3768 -113.686 -98.7708 45.9887 -98.7715 27.3754 GPRESSURE: 4877400 18.0173 -123.517 39.1815 23.1726 -62.4585 -123.143 96.3658 -112.099 46.8899 PRESSAVG: 4877400 -9.12344 -28.0028 36.1361 -28.0028 -4.59842 -22.8385 36.1362 -22.8387 48.8973 GPRESSAVG: 4877400 -9.91932 -27.1583 38.4806 -27.3271 -4.50935 -25.0163 35.0863 -20.9987 50.0387 TIMING: 4877400 CPU: 14474.7, 0.0029032/step Wall: 14474.7, 0.0029032/step, 0.09887 hours remaining, 209.320312 MB of memory in use. ENERGY: 4877400 779.4926 2128.1247 1924.0219 107.9033 -205812.5015 17746.8140 0.0000 0.0000 34447.3773 -148678.7677 300.8375 -183126.1450 -148581.9180 300.1913 -31.8294 0.8162 557654.5194 11.7251 11.8700 PRESSURE: 4877600 -56.9233 -0.608749 168.542 -0.608968 36.2238 41.4088 168.541 41.4103 -75.5617 GPRESSURE: 4877600 -30.3551 -24.2304 202.572 -106.214 103.165 -1.07532 184.547 98.867 -55.8749 PRESSAVG: 4877600 -31.2482 -62.2777 28.5161 -62.2777 58.5633 8.71218 28.5161 8.7121 38.9729 GPRESSAVG: 4877600 -29.8475 -63.4773 28.2243 -62.0516 57.8565 7.9134 29.621 6.54005 38.1938 TIMING: 4877600 CPU: 14475.3, 0.00292871/step Wall: 14475.3, 0.00292871/step, 0.0995762 hours remaining, 209.320312 MB of memory in use. ENERGY: 4877600 754.1542 2119.7712 1913.8631 112.6788 -205808.9583 17837.9819 0.0000 0.0000 34426.2586 -148644.2504 300.6531 -183070.5090 -148550.2341 300.6351 -32.0871 5.6451 559281.4742 22.0960 22.0676 PRESSURE: 4877800 -320.912 122.592 -62.1469 122.592 -210.132 57.4607 -62.1478 57.46 -77.2354 GPRESSURE: 4877800 -277.091 118.476 -121.373 90.6158 -195.856 17.9036 -53.4292 45.8935 -41.4795 PRESSAVG: 4877800 12.3153 70.8702 12.6633 70.8702 -21.4621 -14.5099 12.6633 -14.5099 -42.0015 GPRESSAVG: 4877800 12.2514 72.8907 11.9813 68.9019 -20.7985 -13.97 11.8449 -12.5156 -42.182 TIMING: 4877800 CPU: 14475.9, 0.00295163/step Wall: 14475.9, 0.00295163/step, 0.100191 hours remaining, 209.320312 MB of memory in use. ENERGY: 4877800 777.1052 2103.5196 1921.5843 116.0267 -205890.4329 17692.4611 0.0000 0.0000 34368.3276 -148911.4084 300.1472 -183279.7360 -148816.1232 299.7165 -202.7598 -171.4754 558888.3871 -17.0494 -16.9097 PRESSURE: 4878000 -55.0636 129.577 87.6936 129.576 69.8061 191.077 87.6941 191.077 -172.776 GPRESSURE: 4878000 -78.4832 188.936 103.7 169.173 99.3385 254.983 88.5585 230.942 -96.5814 PRESSAVG: 4878000 -106.776 1.94798 -47.8995 1.94798 34.4797 114.533 -47.8994 114.533 50.8393 GPRESSAVG: 4878000 -106.977 0.537976 -47.6534 4.64546 34.119 114.015 -49.7335 116.978 50.989 TIMING: 4878000 CPU: 14476.5, 0.00290823/step Wall: 14476.5, 0.00290823/step, 0.0985566 hours remaining, 209.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4878000 746.9750 2147.8356 1961.7579 126.4428 -205976.4912 17778.6108 0.0000 0.0000 34319.8165 -148895.0526 299.7235 -183214.8692 -148796.8296 300.3686 -52.6779 -25.2420 558840.0883 -7.1525 -7.2898 PRESSURE: 4878200 -15.4666 14.9115 77.3719 14.9115 -77.5229 216.267 77.372 216.268 -162.829 GPRESSURE: 4878200 41.3216 -37.0612 83.4391 70.0498 -80.2701 191.931 16.2222 274.616 -118.335 PRESSAVG: 4878200 19.9148 30.2645 -25.6993 30.2646 3.47108 42.8507 -25.6993 42.8506 27.0659 GPRESSAVG: 4878200 20.2033 31.335 -26.9531 30.1239 4.16715 42.7968 -22.3186 41.0707 26.1396 TIMING: 4878200 CPU: 14477, 0.00290147/step Wall: 14477, 0.00290147/step, 0.0981665 hours remaining, 209.320312 MB of memory in use. ENERGY: 4878200 740.0382 2114.8289 1902.9279 114.9227 -205778.7788 17541.9103 0.0000 0.0000 34376.5024 -148987.6484 300.2185 -183364.1508 -148893.3276 299.8120 -85.2728 -52.4279 558040.7143 16.8173 16.8367 PRESSURE: 4878400 -128.419 76.2383 -67.7185 76.2375 152.846 -38.052 -67.7181 -38.0529 -205.221 GPRESSURE: 4878400 -49.5919 182.053 -48.6207 -73.4432 165.272 -31.2494 -32.066 35.4752 -195.416 PRESSAVG: 4878400 0.424228 3.11273 -1.22846 3.11273 -19.5008 9.68413 -1.22844 9.68399 33.4664 GPRESSAVG: 4878400 -0.5863 3.09934 -0.239582 1.41965 -18.9757 9.72675 -2.17715 9.62979 33.9269 TIMING: 4878400 CPU: 14477.6, 0.00291004/step Wall: 14477.6, 0.00291004/step, 0.0982945 hours remaining, 209.320312 MB of memory in use. ENERGY: 4878400 714.8853 2059.4377 1948.0046 113.9722 -206053.4858 17757.5685 0.0000 0.0000 34482.3104 -148977.3072 301.1426 -183459.6176 -148880.4910 300.0844 -60.2648 -26.5786 558891.9183 4.7966 4.7883 PRESSURE: 4878600 92.3118 8.31087 -12.5604 8.31101 48.6797 -66.409 -12.5593 -66.4079 -173.27 GPRESSURE: 4878600 76.5716 -20.9789 -14.827 83.2708 65.8743 11.716 48.1419 -81.466 -81.5122 PRESSAVG: 4878600 -12.3858 12.6966 19.2433 12.6965 -48.4903 -30.5464 19.2432 -30.5463 19.038 GPRESSAVG: 4878600 -11.9334 10.9218 19.6414 14.5968 -48.0814 -31.4531 20.3788 -31.0815 18.513 TIMING: 4878600 CPU: 14478.2, 0.00290378/step Wall: 14478.2, 0.00290378/step, 0.0979219 hours remaining, 209.320312 MB of memory in use. ENERGY: 4878600 749.3159 2094.5485 1905.8633 111.8174 -206383.4481 18074.8909 0.0000 0.0000 34360.4620 -149086.5501 300.0785 -183447.0121 -148994.3246 299.2534 -10.7595 20.3113 557917.4482 -13.9460 -13.8339 PRESSURE: 4878800 267.754 -111.338 206.334 -111.338 -149.42 -121.873 206.334 -121.873 131.928 GPRESSURE: 4878800 254.738 -154.339 178.18 -181.169 -74.0285 -136.996 170.366 -170.107 156.525 PRESSAVG: 4878800 16.6459 -20.5426 67.713 -20.5427 -9.0889 49.7669 67.713 49.767 14.5482 GPRESSAVG: 4878800 16.5305 -18.5298 68.3243 -21.4469 -9.75096 48.9523 65.9024 49.8119 15.1036 TIMING: 4878800 CPU: 14478.8, 0.00293979/step Wall: 14478.8, 0.00293979/step, 0.0989729 hours remaining, 209.320312 MB of memory in use. ENERGY: 4878800 740.1360 2069.9849 1920.1053 110.3222 -205978.8496 17719.8015 0.0000 0.0000 34357.2247 -149061.2751 300.0502 -183418.4998 -148962.8403 299.9398 83.4206 112.4112 557709.2063 7.3684 7.2944 PRESSURE: 4879000 -359.59 -49.508 112.956 -49.5069 228.645 -97.5014 112.957 -97.5007 83.1716 GPRESSURE: 4879000 -292.591 -43.3401 49.4215 -70.282 201.17 -59.0155 117.901 -136.869 136.023 PRESSAVG: 4879000 -15.52 -66.5318 8.58169 -66.5318 -16.4519 2.09295 8.58171 2.093 26.5535 GPRESSAVG: 4879000 -16.2295 -68.1012 8.29116 -65.9671 -15.9442 2.66956 7.62647 2.76549 26.6159 TIMING: 4879000 CPU: 14479.4, 0.0029344/step Wall: 14479.4, 0.0029344/step, 0.0986286 hours remaining, 209.320312 MB of memory in use. ENERGY: 4879000 728.8687 2123.8029 1928.2288 96.7232 -205787.0677 17567.1845 0.0000 0.0000 34250.2008 -149092.0588 299.1155 -183342.2596 -149003.4502 299.7098 -15.9245 14.8673 557593.8462 -1.8061 -1.8526 PRESSURE: 4879200 -13.1013 -110.628 24.4066 -110.628 -58.8311 59.5684 24.4069 59.5674 -167.763 GPRESSURE: 4879200 -33.6157 -41.3402 6.56968 -105.218 -23.6142 45.5322 73.0034 76.218 -88.7847 PRESSAVG: 4879200 -24.7574 -59.5837 -21.0126 -59.5837 -0.794726 -30.9527 -21.0126 -30.9529 68.3065 GPRESSAVG: 4879200 -23.8849 -57.4696 -21.4417 -59.9863 -1.92819 -31.549 -18.5317 -31.6821 68.5011 TIMING: 4879200 CPU: 14480, 0.00293777/step Wall: 14480, 0.00293777/step, 0.0985785 hours remaining, 209.320312 MB of memory in use. ENERGY: 4879200 787.0519 2074.2967 1925.2901 101.0503 -206192.8116 17720.0839 0.0000 0.0000 34327.7415 -149257.2971 299.7927 -183585.0386 -149157.3251 299.1008 -79.8984 -48.6715 557739.7447 14.2515 14.2294 PRESSURE: 4879400 34.3859 -111.5 -29.6076 -111.501 -186.591 -11.731 -29.6068 -11.7305 -137.419 GPRESSURE: 4879400 61.1086 -66.417 -96.7612 -209.859 -178.789 -41.4221 -2.24665 20.1374 -75.9134 PRESSAVG: 4879400 32.1499 -55.8375 -20.5594 -55.8375 -22.4403 20.1763 -20.5594 20.1764 31.7933 GPRESSAVG: 4879400 32.518 -59.5309 -22.0436 -55.8219 -22.2497 22.6405 -21.8056 20.0283 32.0577 TIMING: 4879400 CPU: 14480.6, 0.00293466/step Wall: 14480.6, 0.00293466/step, 0.098311 hours remaining, 209.320312 MB of memory in use. ENERGY: 4879400 773.9163 2118.6047 1926.8942 124.5777 -206321.2237 17866.2124 0.0000 0.0000 34287.4227 -149223.5958 299.4406 -183511.0185 -149131.9759 299.3295 -96.5415 -64.5313 556724.1984 13.8343 14.1086 PRESSURE: 4879600 195.002 -67.3184 319.518 -67.3191 48.0591 -3.26688 319.518 -3.26618 -63.6082 GPRESSURE: 4879600 165.859 -76.7143 212.333 -56.4143 120.286 -23.997 353.24 80.2142 -1.84641 PRESSAVG: 4879600 32.2397 31.4871 10.6467 31.4872 -28.0528 26.6069 10.6468 26.607 -3.76819 GPRESSAVG: 4879600 32.887 32.2983 11.2592 31.225 -28.4725 25.9903 11.7069 26.8366 -3.88194 TIMING: 4879600 CPU: 14481.1, 0.00294351/step Wall: 14481.1, 0.00294351/step, 0.0984442 hours remaining, 209.320312 MB of memory in use. ENERGY: 4879600 776.1725 2071.4632 1900.4524 110.7666 -206827.0192 18089.2218 0.0000 0.0000 34593.2977 -149285.6450 302.1119 -183878.9427 -149186.4578 299.6197 59.8176 94.7664 556415.4017 0.1396 0.1775 PRESSURE: 4879800 -151.533 6.4003 -227.951 6.40157 -200.122 -2.22182 -227.952 -2.2221 -66.7876 GPRESSURE: 4879800 -165.733 -40.5146 -194.914 47.8173 -128.886 52.0407 -249.742 -7.0669 -23.627 PRESSAVG: 4879800 73.121 9.88939 1.4582 9.88936 -73.082 18.8948 1.45831 18.8949 -5.98398 GPRESSAVG: 4879800 71.7441 11.7291 3.31612 9.52996 -71.8514 17.9765 -0.416589 18.9865 -6.30619 TIMING: 4879800 CPU: 14481.7, 0.00296836/step Wall: 14481.7, 0.00296836/step, 0.0991101 hours remaining, 209.320312 MB of memory in use. ENERGY: 4879800 748.7792 2198.6190 1898.8066 96.9935 -206156.0409 17698.3940 0.0000 0.0000 34277.9664 -149236.4822 299.3580 -183514.4486 -149140.3809 299.4438 -139.4808 -106.0821 557575.2435 -1.9817 -2.1378 PRESSURE: 4880000 20.3374 71.3044 -54.3166 71.3032 251.6 -34.2562 -54.3164 -34.2551 46.6556 GPRESSURE: 4880000 25.6711 101.203 -60.2736 68.9846 282.421 17.0343 -7.90184 -46.3317 103.879 PRESSAVG: 4880000 -3.30836 20.6017 -40.6334 20.6016 49.0858 -47.1471 -40.6333 -47.1471 -11.3415 GPRESSAVG: 4880000 -3.14367 19.4956 -38.599 20.7348 47.9835 -46.2462 -43.293 -46.2492 -11.0602 TIMING: 4880000 CPU: 14482.3, 0.00293264/step Wall: 14482.3, 0.00293264/step, 0.0977545 hours remaining, 209.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4880000 754.5657 2132.5063 1942.6921 106.1576 -206493.4107 17975.2482 0.0000 0.0000 34403.9354 -149178.3054 300.4581 -183582.2408 -149079.0629 299.9074 106.1978 137.3235 556778.1628 11.4786 11.2599 PRESSURE: 4880200 48.5872 -108.514 209.185 -108.515 252.381 -194.821 209.184 -194.82 -30.5454 GPRESSURE: 4880200 114.184 -55.8371 261.49 -145.852 284.506 -227.923 239.534 -78.6416 -27.0359 PRESSAVG: 4880200 -39.4962 -16.5118 116.397 -16.5118 23.5719 -35.2362 116.397 -35.2363 19.5502 GPRESSAVG: 4880200 -39.835 -14.5302 113.278 -19.8989 23.5754 -36.2847 120.283 -35.6638 20.2372 TIMING: 4880200 CPU: 14482.9, 0.00293336/step Wall: 14482.9, 0.00293336/step, 0.0976157 hours remaining, 209.320312 MB of memory in use. ENERGY: 4880200 725.7022 2132.2143 1966.5499 113.3366 -206044.3114 17851.1557 0.0000 0.0000 34321.8634 -148933.4893 299.7414 -183255.3527 -148840.2360 300.0455 90.1408 123.8845 557866.0922 1.2086 1.3259 LDB: ============= START OF LOAD BALANCING ============== 14486.5 LDB: ============== END OF LOAD BALANCING =============== 14486.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14486.5 LDB: ============= START OF LOAD BALANCING ============== 14486.8 LDB: Largest compute 4801 load 0.023199 is 19.6% of average load 0.118305 LDB: Average compute 0.001714 is 1.4% of average load 0.118305 LDB: TIME 14486.8 LOAD: AVG 0.118305 MAX 0.199252 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.285 MB LDB: TIME 14486.8 LOAD: AVG 0.118305 MAX 0.199252 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.285 MB LDB: TIME 14486.8 LOAD: AVG 0.118305 MAX 0.199252 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.285 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14486.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14486.8 PRESSURE: 4880400 231.444 -135.994 -36.0847 -135.994 -49.0778 132.294 -36.0852 132.295 -99.1032 GPRESSURE: 4880400 295.236 -135.735 3.27036 -150.678 -66.8079 149.652 -38.9895 34.5112 -46.9529 PRESSAVG: 4880400 -6.40352 11.6269 -1.04747 11.6269 14.3842 -30.9031 -1.04748 -30.903 -26.9288 GPRESSAVG: 4880400 -7.17434 10.7993 -3.0962 13.6992 14.9567 -29.6781 -0.340057 -31.6179 -26.6637 TIMING: 4880400 CPU: 14483.5, 0.00302347/step Wall: 14483.5, 0.00302347/step, 0.100446 hours remaining, 208.039062 MB of memory in use. ENERGY: 4880400 757.7068 2114.5932 1945.8346 107.6673 -206042.8789 17803.7446 0.0000 0.0000 34317.3077 -148996.0249 299.7016 -183313.3325 -148896.7930 300.0853 27.7542 60.4917 556534.4154 -6.3160 -6.2938 PRESSURE: 4880600 131.116 106.122 -35.6172 106.124 -38.6288 96.7952 -35.617 96.7954 -38.123 GPRESSURE: 4880600 215.203 79.8034 -25.0618 136.86 16.3429 81.7305 12.687 169.548 -79.6524 PRESSAVG: 4880600 -15.0433 12.2183 -12.2091 12.2182 79.5993 26.1152 -12.2091 26.1152 -40.5517 GPRESSAVG: 4880600 -13.2608 11.2241 -10.2561 14.2434 77.375 25.7045 -13.6975 25.0944 -40.7087 TIMING: 4880600 CPU: 14484.1, 0.00293869/step Wall: 14484.1, 0.00293869/step, 0.0974664 hours remaining, 208.039062 MB of memory in use. ENERGY: 4880600 775.1936 2127.7054 1937.0852 103.0979 -206102.7026 17768.1855 0.0000 0.0000 34447.6135 -148943.8215 300.8396 -183391.4350 -148843.6867 300.1351 18.1215 50.6311 557341.3682 8.0014 7.8018 PRESSURE: 4880800 -98.7148 72.1301 -19.4633 72.1292 271.588 -57.4098 -19.4629 -57.4087 -98.7009 GPRESSURE: 4880800 -54.058 89.319 23.8993 74.2633 287.51 -162.53 -68.9587 10.0829 -69.9035 PRESSAVG: 4880800 -31.34 76.4099 -47.8843 76.41 30.6795 -13.8882 -47.8844 -13.8882 8.46971 GPRESSAVG: 4880800 -32.7013 76.572 -49.5754 77.1232 33.6489 -15.3188 -46.4551 -13.3738 6.96554 TIMING: 4880800 CPU: 14484.7, 0.00294056/step Wall: 14484.7, 0.00294056/step, 0.0973652 hours remaining, 208.039062 MB of memory in use. ENERGY: 4880800 742.8480 2082.7865 1917.1774 104.3053 -205870.0258 17837.8894 0.0000 0.0000 34228.4844 -148956.5348 298.9259 -183185.0192 -148867.5420 300.7199 24.7242 54.5163 558364.3281 2.6031 2.6377 PRESSURE: 4881000 -72.3334 267.828 -205.511 267.828 -367.162 -62.4296 -205.512 -62.4284 -59.7794 GPRESSURE: 4881000 -126.804 268.01 -121.215 217.716 -272.035 -86.7808 -133.004 -65.2749 -2.14671 PRESSAVG: 4881000 11.9751 69.6641 -45.8227 69.6642 58.1968 -37.3707 -45.8227 -37.3707 -46.8922 GPRESSAVG: 4881000 11.8769 70.0327 -45.8571 67.1523 56.8849 -35.7707 -46.0598 -37.8917 -45.6612 TIMING: 4881000 CPU: 14485.3, 0.00291238/step Wall: 14485.3, 0.00291238/step, 0.0962703 hours remaining, 208.039062 MB of memory in use. ENERGY: 4881000 749.2407 2107.4097 1937.5684 115.1555 -205400.5433 17493.7011 0.0000 0.0000 34219.0938 -148778.3741 298.8439 -182997.4679 -148681.5411 300.0134 -166.4249 -133.6619 558693.8406 7.7599 7.7002 PRESSURE: 4881200 -228.611 -90.6383 239.152 -90.639 -451.004 -97.3697 239.151 -97.3692 -304.585 GPRESSURE: 4881200 -231.367 -32.6975 145.246 -92.3721 -373.03 -91.2427 296.118 -77.3026 -262.959 PRESSAVG: 4881200 -23.683 84.5376 -1.14189 84.5376 12.5529 -76.8434 -1.14196 -76.8433 -2.61911 GPRESSAVG: 4881200 -24.2425 86.5617 1.31171 84.1424 12.6251 -77.6361 -1.62037 -75.0279 -1.97757 TIMING: 4881200 CPU: 14485.9, 0.00290605/step Wall: 14485.9, 0.00290605/step, 0.0958997 hours remaining, 208.039062 MB of memory in use. ENERGY: 4881200 795.1670 2105.1925 1941.0855 103.3738 -205213.8403 17319.5123 0.0000 0.0000 34276.6606 -148672.8485 299.3466 -182949.5091 -148578.1035 300.6051 -328.0666 -289.1186 559129.7398 -4.5831 -4.5317 PRESSURE: 4881400 236.148 -40.3829 142.392 -40.3826 170.511 -69.1116 142.393 -69.1115 128.782 GPRESSURE: 4881400 308.623 -116.825 109.62 -7.53969 162.938 -59.8398 139.911 -65.3738 153.081 PRESSAVG: 4881400 -14.1815 56.7501 26.0126 56.7501 -10.1446 -0.628416 26.0126 -0.628384 6.17315 GPRESSAVG: 4881400 -14.0825 54.5938 24.7681 57.6574 -10.5785 -1.46533 25.1353 -1.4136 6.96394 TIMING: 4881400 CPU: 14486.4, 0.00292729/step Wall: 14486.4, 0.00292729/step, 0.0964378 hours remaining, 208.039062 MB of memory in use. ENERGY: 4881400 746.1808 2068.2058 1940.3013 118.1192 -206024.5399 17824.9378 0.0000 0.0000 34589.8078 -148736.9874 302.0814 -183326.7951 -148640.6369 301.0078 178.4803 208.2142 555786.6271 -6.0510 -5.8990 PRESSURE: 4881600 210.344 90.6594 -24.7935 90.6593 -34.5042 -110.669 -24.7919 -110.668 44.8619 GPRESSURE: 4881600 209.508 73.1588 -32.818 80.7785 20.014 -109.341 25.7741 -104.106 89.7851 PRESSAVG: 4881600 -15.1779 63.9997 30.4429 63.9997 42.7145 -64.7581 30.443 -64.7582 1.45724 GPRESSAVG: 4881600 -15.0076 63.3102 29.1879 63.4519 43.7313 -65.0912 33.1647 -64.0479 -0.491691 TIMING: 4881600 CPU: 14487, 0.00292591/step Wall: 14487, 0.00292591/step, 0.09623 hours remaining, 208.039062 MB of memory in use. ENERGY: 4881600 769.6206 2143.4961 1942.7343 106.8050 -205811.5625 17709.0063 0.0000 0.0000 34457.5714 -148682.3287 300.9265 -183139.9001 -148587.8467 300.6585 73.5673 106.4356 556973.6834 9.6646 9.4107 PRESSURE: 4881800 29.0395 -173.336 57.0957 -173.335 203.569 -133.805 57.0956 -133.806 -56.7928 GPRESSURE: 4881800 60.3636 -217.687 75.6503 -108.646 232.769 -112.312 -17.8543 -127.345 -31.1966 PRESSAVG: 4881800 26.7147 21.2428 64.9965 21.2428 9.43204 -51.4001 64.9965 -51.4 -21.9 GPRESSAVG: 4881800 25.6887 23.1172 66.9007 21.569 9.5028 -48.7097 63.4823 -53.096 -20.7739 TIMING: 4881800 CPU: 14487.6, 0.00292793/step Wall: 14487.6, 0.00292793/step, 0.0961338 hours remaining, 208.039062 MB of memory in use. ENERGY: 4881800 707.6466 2071.2296 1955.2311 114.3809 -205993.9144 17811.5806 0.0000 0.0000 34476.2273 -148857.6184 301.0895 -183333.8457 -148752.2797 300.6353 58.6051 87.3122 556818.4778 4.7489 4.8059 PRESSURE: 4882000 60.8705 -93.972 -64.3631 -93.9726 20.9398 -290.682 -64.3645 -290.681 -12.9827 GPRESSURE: 4882000 15.5517 -138.429 4.48666 -120.339 107.421 -327.166 -103.273 -247.679 50.6332 PRESSAVG: 4882000 15.417 3.82733 41.3822 3.82727 -12.888 -27.6368 41.3822 -27.6368 -27.7822 GPRESSAVG: 4882000 15.0709 3.91401 39.5202 2.1301 -12.313 -30.0003 41.2797 -26.3365 -28.007 TIMING: 4882000 CPU: 14488.2, 0.0029081/step Wall: 14488.2, 0.0029081/step, 0.095321 hours remaining, 208.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4882000 729.9330 2077.9569 1944.0971 118.4686 -206088.0542 17837.4818 0.0000 0.0000 34371.6183 -149008.4984 300.1759 -183380.1167 -148912.5814 300.1076 22.9425 57.8686 559210.9664 -8.4177 -8.4164 PRESSURE: 4882200 -231.886 108.879 162.486 108.879 214.267 107.867 162.486 107.869 -27.497 GPRESSURE: 4882200 -161.69 54.0272 131.342 130.389 209.578 141.198 153.103 109.871 2.6819 PRESSAVG: 4882200 0.914587 80.2595 -5.23866 80.2595 -81.0581 -4.23415 -5.23855 -4.23404 77.1857 GPRESSAVG: 4882200 3.56126 80.8491 -4.14947 79.9967 -82.3176 -1.65908 -4.66119 -3.43325 76.0153 TIMING: 4882200 CPU: 14488.8, 0.00294907/step Wall: 14488.8, 0.00294907/step, 0.0965002 hours remaining, 208.039062 MB of memory in use. ENERGY: 4882200 771.4633 2087.8672 1919.7486 114.6021 -206028.2762 17831.7506 0.0000 0.0000 34355.1570 -148947.6874 300.0321 -183302.8444 -148849.6805 299.7093 -15.0386 16.8566 558028.9015 -0.9859 -0.9137 PRESSURE: 4882400 104.565 211.288 15.9953 211.286 180.383 -17.1332 15.9946 -17.1334 -101.957 GPRESSURE: 4882400 124.259 95.8354 -12.7178 327.013 248.126 46.6957 12.6452 -6.07708 -87.2991 PRESSAVG: 4882400 24.9433 53.0429 -18.907 53.0429 -10.6568 20.7772 -18.907 20.7772 -12.4739 GPRESSAVG: 4882400 23.0712 50.1831 -16.9863 55.6587 -10.3827 19.2652 -21.3737 18.7168 -11.5929 TIMING: 4882400 CPU: 14489.4, 0.00295109/step Wall: 14489.4, 0.00295109/step, 0.0964022 hours remaining, 208.039062 MB of memory in use. ENERGY: 4882400 759.7424 2063.8074 1948.7977 110.2551 -206050.1450 17721.5534 0.0000 0.0000 34453.1291 -148992.8599 300.8877 -183445.9891 -148901.3163 299.8343 60.9972 95.0288 558299.1287 0.6042 0.3652 PRESSURE: 4882600 -394.405 111.686 26.4197 111.685 -124.615 -85.4489 26.42 -85.4484 -365.682 GPRESSURE: 4882600 -317.879 145.851 43.5659 63.7817 -165.881 -100.594 123.359 -74.606 -313.684 PRESSAVG: 4882600 105.821 16.2933 -23.4197 16.2933 -6.45307 19.4891 -23.4197 19.4891 -76.9238 GPRESSAVG: 4882600 105.722 15.0392 -24.0895 17.3081 -6.54524 19.4639 -22.9551 20.4056 -76.571 TIMING: 4882600 CPU: 14490, 0.00294429/step Wall: 14490, 0.00294429/step, 0.0960167 hours remaining, 208.039062 MB of memory in use. ENERGY: 4882600 752.5377 2030.6261 1967.4069 115.6170 -205549.8682 17312.2690 0.0000 0.0000 34517.1303 -148854.2813 301.4467 -183371.4116 -148758.2804 300.4294 -294.9010 -265.8147 558070.2735 7.4812 7.5351 PRESSURE: 4882800 126.594 59.9016 3.23922 59.9014 -31.1699 -310.175 3.23993 -310.174 -70.8456 GPRESSURE: 4882800 114.782 34.5411 -152.802 16.615 32.4489 -254.818 87.0379 -305.431 -8.50123 PRESSAVG: 4882800 45.1299 -27.3031 0.306839 -27.3031 15.4175 2.50034 0.306875 2.50026 -42.2218 GPRESSAVG: 4882800 45.2754 -26.2875 -1.14707 -29.1803 16.0901 0.918606 2.00871 6.33547 -42.9529 TIMING: 4882800 CPU: 14490.5, 0.00294147/step Wall: 14490.5, 0.00294147/step, 0.0957614 hours remaining, 208.039062 MB of memory in use. ENERGY: 4882800 721.1522 2066.5578 1924.7740 112.7726 -205760.6180 17728.4225 0.0000 0.0000 34326.3684 -148880.5705 299.7807 -183206.9389 -148787.7569 300.4368 8.1927 46.2431 558089.8943 6.1085 6.1375 PRESSURE: 4883000 -271.808 -136.915 97.5749 -136.915 -231.918 -49.0644 97.5746 -49.0658 -115.34 GPRESSURE: 4883000 -239.669 -133.981 32.7918 -72.3291 -212.697 -150.439 147.456 -43.4879 -78.5423 PRESSAVG: 4883000 82.647 -79.9943 21.0493 -79.9944 20.1494 -70.9165 21.0493 -70.9165 -102.669 GPRESSAVG: 4883000 82.3696 -78.2462 20.9629 -79.3211 19.4731 -69.9188 20.973 -73.3489 -102.029 TIMING: 4883000 CPU: 14491.1, 0.00295796/step Wall: 14491.1, 0.00295796/step, 0.0961337 hours remaining, 208.039062 MB of memory in use. ENERGY: 4883000 751.6378 2167.0720 1948.5761 106.3373 -205812.7342 17431.1604 0.0000 0.0000 34454.5272 -148953.4235 300.9000 -183407.9507 -148852.6926 299.6376 -206.3553 -176.9695 559613.2325 0.0423 -0.0622 PRESSURE: 4883200 109.479 -114.676 -49.4021 -114.675 70.424 -44.0499 -49.4014 -44.0472 238.758 GPRESSURE: 4883200 136.718 -81.4228 -121.807 -79.392 161.244 -24.4638 -38.3768 -69.2044 212.643 PRESSAVG: 4883200 34.5819 -62.5171 54.1973 -62.517 9.60248 -57.7411 54.1974 -57.741 -20.018 GPRESSAVG: 4883200 34.0081 -63.0759 53.127 -60.7961 10.2526 -57.3887 54.7012 -57.5309 -21.1438 TIMING: 4883200 CPU: 14491.7, 0.0029659/step Wall: 14491.7, 0.0029659/step, 0.0962271 hours remaining, 208.039062 MB of memory in use. ENERGY: 4883200 737.0388 2066.8938 1948.8708 111.1259 -205931.1843 17885.9040 0.0000 0.0000 34422.5417 -148758.8093 300.6206 -183181.3509 -148661.1029 300.3955 139.5535 170.2016 556829.3705 8.0555 7.7056 PRESSURE: 4883400 -162.343 -138.336 -17.9352 -138.336 98.0715 -34.324 -17.9352 -34.3246 -285.923 GPRESSURE: 4883400 -164.465 -96.1307 -115.922 -142.665 124.278 -2.56828 80.9636 11.5413 -219.894 PRESSAVG: 4883400 35.8862 -43.8222 3.96438 -43.8222 -31.0609 13.553 3.96436 13.553 17.1221 GPRESSAVG: 4883400 37.1895 -41.5567 5.55203 -45.6177 -32.5535 13.9456 0.930029 12.9208 17.5806 TIMING: 4883400 CPU: 14492.3, 0.00290925/step Wall: 14492.3, 0.00290925/step, 0.0942275 hours remaining, 208.039062 MB of memory in use. ENERGY: 4883400 698.1843 2091.1516 1930.9807 121.5974 -205679.1510 17520.5267 0.0000 0.0000 34308.9448 -149007.7656 299.6285 -183316.7104 -148913.1607 299.3671 -116.7317 -86.6936 557881.5162 7.3158 7.4055 PRESSURE: 4883600 65.4177 -91.1282 0.456936 -91.1281 156.082 -39.6536 0.456 -39.6527 185.607 GPRESSURE: 4883600 140.528 -116.791 -27.3139 -49.3187 215.857 -49.8256 -51.8654 -83.6686 139.897 PRESSAVG: 4883600 -1.79747 -31.8953 9.43863 -31.8953 18.7867 -12.8947 9.43864 -12.8948 -11.895 GPRESSAVG: 4883600 -2.34569 -34.9338 8.83963 -31.7077 20.2571 -15.8967 11.7923 -11.8291 -12.4785 TIMING: 4883600 CPU: 14492.9, 0.00291966/step Wall: 14492.9, 0.00291966/step, 0.0944023 hours remaining, 208.039062 MB of memory in use. ENERGY: 4883600 718.4132 2077.8614 1938.2542 122.7571 -205945.9606 17831.7070 0.0000 0.0000 34307.4176 -148949.5502 299.6152 -183256.9678 -148854.6326 299.6473 135.7022 165.4274 557288.6956 1.6981 1.8110 PRESSURE: 4883800 -410.967 152.023 -75.8996 152.023 -438.842 -61.4516 -75.9 -61.4527 -235.602 GPRESSURE: 4883800 -324.398 139.229 -93.371 161.26 -464.94 -26.08 -93.7039 -13.9271 -192.113 PRESSAVG: 4883800 59.3065 -31.8578 -48.9429 -31.8578 15.8771 -43.2845 -48.9429 -43.2846 -54.2566 GPRESSAVG: 4883800 59.5646 -31.4201 -49.2693 -31.545 15.6763 -39.3701 -48.0308 -43.9307 -53.7348 TIMING: 4883800 CPU: 14493.5, 0.00294365/step Wall: 14493.5, 0.00294365/step, 0.0950144 hours remaining, 208.039062 MB of memory in use. ENERGY: 4883800 768.9599 2036.2664 1942.5343 108.7148 -205718.0026 17317.4254 0.0000 0.0000 34446.5365 -149097.5654 300.8302 -183544.1019 -149005.4994 299.5863 -361.8035 -327.1504 557151.6351 6.9756 7.1687 PRESSURE: 4884000 -78.9453 -94.4851 -109.332 -94.4858 190.606 -54.4506 -109.33 -54.4501 27.656 GPRESSURE: 4884000 -45.0848 -114.142 -0.813193 -44.0387 205.117 -30.1618 -135.057 -74.3227 69.766 PRESSAVG: 4884000 4.56689 -51.8436 2.2123 -51.8436 56.6487 16.0633 2.21231 16.0633 -22.8126 GPRESSAVG: 4884000 4.85101 -52.1863 2.93949 -52.9029 57.1329 14.7095 0.538559 15.943 -23.6131 TIMING: 4884000 CPU: 14494.1, 0.00294544/step Wall: 14494.1, 0.00294544/step, 0.0949087 hours remaining, 208.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4884000 736.2220 2090.2490 1911.3908 118.6829 -206375.7933 17909.7729 0.0000 0.0000 34528.1715 -149081.3042 301.5431 -183609.4757 -148981.9738 299.4887 46.4390 76.5993 555164.3720 12.8010 12.7903 PRESSURE: 4884200 134.484 -23.6531 1.01708 -23.6532 171.242 -72.616 1.01784 -72.6157 241.038 GPRESSURE: 4884200 148.011 21.695 7.91258 -4.21122 206.83 16.9298 44.9409 -181.886 289.513 PRESSAVG: 4884200 -2.56935 -23.148 -12.7356 -23.1479 21.6267 21.6995 -12.7357 21.6996 19.9189 GPRESSAVG: 4884200 -4.74498 -22.2042 -10.9308 -23.9483 21.778 21.2386 -12.6502 20.1137 21.6509 TIMING: 4884200 CPU: 14494.7, 0.00294246/step Wall: 14494.7, 0.00294246/step, 0.0946492 hours remaining, 208.039062 MB of memory in use. ENERGY: 4884200 682.4701 2064.4579 1959.2078 106.4902 -206003.0051 17743.6933 0.0000 0.0000 34502.3505 -148944.3353 301.3176 -183446.6858 -148850.5341 300.0379 182.2546 214.7846 555537.9227 12.9921 12.8946 LDB: ============= START OF LOAD BALANCING ============== 14498.2 LDB: ============== END OF LOAD BALANCING =============== 14498.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14498.2 LDB: ============= START OF LOAD BALANCING ============== 14498.5 LDB: Largest compute 4801 load 0.021828 is 18.4% of average load 0.118363 LDB: Average compute 0.001711 is 1.4% of average load 0.118363 LDB: TIME 14498.5 LOAD: AVG 0.118363 MAX 0.19644 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.832 MB LDB: TIME 14498.5 LOAD: AVG 0.118363 MAX 0.19644 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.031 MB LDB: TIME 14498.5 LOAD: AVG 0.118363 MAX 0.19644 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.031 MB LDB: ============== END OF LOAD BALANCING =============== 14498.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14498.5 PRESSURE: 4884400 58.5816 -8.46484 43.9219 -8.46419 174.463 -41.0223 43.9221 -41.0204 -161.598 GPRESSURE: 4884400 140.55 -83.0421 79.0715 9.7888 188.356 -12.9668 91.4148 34.0421 -161.799 PRESSAVG: 4884400 27.2878 -13.4889 24.6892 -13.4889 48.1111 -55.4313 24.6893 -55.4312 -9.36849 GPRESSAVG: 4884400 29.2343 -13.7529 23.1102 -13.8372 47.0983 -53.3451 25.0102 -54.8407 -10.6502 TIMING: 4884400 CPU: 14495.3, 0.00299088/step Wall: 14495.3, 0.00299088/step, 0.0960404 hours remaining, 209.054688 MB of memory in use. ENERGY: 4884400 760.7811 2088.4409 1935.8529 115.2021 -205945.0549 17639.7074 0.0000 0.0000 34323.9476 -149081.1230 299.7596 -183405.0705 -148975.8919 300.5073 23.8155 55.7026 556472.0322 22.0101 21.8941 PRESSURE: 4884600 -67.3973 -18.1967 -67.7179 -18.1966 -65.0258 102.912 -67.7178 102.911 205.701 GPRESSURE: 4884600 -24.9808 -98.827 -37.3895 90.8827 25.2897 -51.0783 -51.9454 241.255 179.019 PRESSAVG: 4884600 18.4347 -77.7646 3.51973 -77.7647 -5.49718 19.5966 3.51967 19.5967 -31.4035 GPRESSAVG: 4884600 17.5974 -79.2465 2.77485 -74.4647 -5.63501 18.0163 4.4907 20.0517 -29.9325 TIMING: 4884600 CPU: 14495.9, 0.00293985/step Wall: 14495.9, 0.00293985/step, 0.0942386 hours remaining, 209.257812 MB of memory in use. ENERGY: 4884600 765.9810 2065.1180 1913.2767 120.0686 -206303.9178 17829.5869 0.0000 0.0000 34410.2788 -149199.6078 300.5135 -183609.8865 -149099.3894 300.0956 24.4261 59.7759 557128.3612 -6.1553 -5.9900 PRESSURE: 4884800 71.87 89.361 84.1759 89.362 -427.207 6.65863 84.1764 6.65714 -144.464 GPRESSURE: 4884800 96.9143 62.2149 84.2282 98.9311 -349.428 -42.3504 52.5153 -14.7471 -131.683 PRESSAVG: 4884800 -62.902 12.9517 1.29315 12.9518 -44.4456 74.3136 1.29312 74.3135 41.3843 GPRESSAVG: 4884800 -62.9298 15.2832 1.52532 9.57578 -43.457 74.5713 0.397544 74.6192 39.9038 TIMING: 4884800 CPU: 14496.4, 0.00297228/step Wall: 14496.4, 0.00297228/step, 0.0951129 hours remaining, 209.257812 MB of memory in use. ENERGY: 4884800 752.6164 2045.8918 1957.0240 110.9188 -206167.8471 17783.8746 0.0000 0.0000 34251.2748 -149266.2466 299.1249 -183517.5214 -149162.1542 299.6930 -166.6005 -128.0656 558806.5630 -21.9877 -22.1610 PRESSURE: 4885000 113.362 6.5884 81.5409 6.58729 356.56 162.428 81.5396 162.428 139.752 GPRESSURE: 4885000 141.359 -44.9971 178.857 8.00478 422.352 115.806 99.4595 183.957 144.273 PRESSAVG: 4885000 -33.5818 35.7136 25.4862 35.7136 10.1586 11.1886 25.4863 11.1886 27.2551 GPRESSAVG: 4885000 -32.8838 33.902 26.5777 38.1716 9.65431 11.835 25.637 9.75244 26.6339 TIMING: 4885000 CPU: 14497, 0.00293905/step Wall: 14497, 0.00293905/step, 0.0938862 hours remaining, 209.257812 MB of memory in use. ENERGY: 4885000 761.6534 2085.2152 1932.7161 110.3439 -206886.0578 18336.2767 0.0000 0.0000 34343.4049 -149316.4476 299.9295 -183659.8525 -149218.8622 299.1681 203.2248 235.9947 558734.3693 1.2773 1.1348 PRESSURE: 4885200 -110.522 -88.7902 95.2024 -88.7919 -248.352 36.8713 95.2023 36.8709 -83.4667 GPRESSURE: 4885200 -78.748 -103.862 48.0053 -106.668 -212.215 -89.6082 99.2339 106.554 -47.4164 PRESSAVG: 4885200 -39.3088 -37.1588 30.1337 -37.1587 -20.4846 -22.1492 30.1336 -22.1493 26.0239 GPRESSAVG: 4885200 -39.5928 -37.0732 28.4944 -36.3883 -21.4507 -22.0152 30.8273 -23.0654 27.2861 TIMING: 4885200 CPU: 14497.6, 0.00293225/step Wall: 14497.6, 0.00293225/step, 0.0935061 hours remaining, 209.257812 MB of memory in use. ENERGY: 4885200 763.9859 2039.7667 1945.4293 112.9324 -206146.3449 17652.5982 0.0000 0.0000 34434.8193 -149196.8131 300.7278 -183631.6324 -149099.1634 299.1806 -147.4469 -112.7932 556716.4306 -11.2565 -11.2525 PRESSURE: 4885400 41.6128 -55.544 -20.9796 -55.5431 53.2951 -0.0325332 -20.9789 -0.0322827 152.947 GPRESSURE: 4885400 100.1 -20.9487 -50.7155 -59.3574 80.7018 33.7358 -37.9002 52.5514 156.374 PRESSAVG: 4885400 22.2999 20.7756 7.07803 20.7756 -28.5322 -37.8503 7.07794 -37.8503 22.6194 GPRESSAVG: 4885400 20.6535 21.962 9.67699 19.2643 -27.6354 -38.5771 4.95352 -36.7967 22.417 TIMING: 4885400 CPU: 14498.2, 0.00294929/step Wall: 14498.2, 0.00294929/step, 0.0938858 hours remaining, 209.257812 MB of memory in use. ENERGY: 4885400 740.1752 2130.0665 1915.8988 117.4664 -206182.0051 17820.6904 0.0000 0.0000 34356.4367 -149101.2711 300.0433 -183457.7078 -149004.0005 299.5533 82.6183 112.3920 556295.3253 5.4624 5.1450 PRESSURE: 4885600 -178.766 14.3004 -140.704 14.3022 -223.661 9.34285 -140.704 9.34117 -17.0841 GPRESSURE: 4885600 -205.355 -13.5877 -154.684 82.6576 -147.223 108.896 -119.931 -125.162 24.6131 PRESSAVG: 4885600 -3.35853 -34.6794 35.1428 -34.6794 1.91732 -45.3141 35.1428 -45.314 16.2863 GPRESSAVG: 4885600 -2.10478 -35.7442 32.6208 -33.8619 1.84673 -44.564 36.1856 -46.0414 15.173 TIMING: 4885600 CPU: 14498.8, 0.00293983/step Wall: 14498.8, 0.00293983/step, 0.0934214 hours remaining, 209.257812 MB of memory in use. ENERGY: 4885600 800.9182 2081.5568 1904.4948 106.2722 -206231.6461 17872.4985 0.0000 0.0000 34488.6921 -148977.2134 301.1983 -183465.9055 -148881.8760 299.2019 -139.8368 -109.3218 557845.4669 4.9484 4.9717 PRESSURE: 4885800 -82.2253 16.4199 118.702 16.4201 -19.0071 -47.9881 118.702 -47.9868 -207.989 GPRESSURE: 4885800 3.71357 -31.4259 138.735 44.7044 -61.8187 -46.144 86.1033 -0.235934 -159.705 PRESSAVG: 4885800 -80.1651 6.39096 -34.3244 6.39106 85.3195 -14.4042 -34.3245 -14.4042 0.0197174 GPRESSAVG: 4885800 -80.1261 7.06832 -34.355 6.15779 84.194 -15.0527 -34.2078 -11.9958 0.535884 TIMING: 4885800 CPU: 14499.4, 0.0029071/step Wall: 14499.4, 0.0029071/step, 0.0922197 hours remaining, 209.257812 MB of memory in use. ENERGY: 4885800 769.4122 2101.0608 1933.9465 126.8893 -205892.9697 17583.0462 0.0000 0.0000 34370.8723 -149007.7423 300.1694 -183378.6146 -148916.3885 299.7446 -103.0738 -72.6032 557019.3260 1.7247 1.5346 PRESSURE: 4886000 -17.1883 31.5351 47.2481 31.5351 72.3575 -14.4421 47.2478 -14.4427 -99.2028 GPRESSURE: 4886000 12.6427 80.7811 98.663 63.3857 119.74 44.298 -64.4682 -23.5479 -87.8839 PRESSAVG: 4886000 -69.4071 -21.8587 36.6201 -21.8588 78.7734 -31.7378 36.62 -31.7378 4.28387 GPRESSAVG: 4886000 -69.3631 -20.2876 36.9161 -20.3877 78.7389 -32.5144 36.6252 -32.9926 4.21467 TIMING: 4886000 CPU: 14500, 0.00292398/step Wall: 14500, 0.00292398/step, 0.0925926 hours remaining, 209.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4886000 754.3309 2093.8555 1913.8950 118.7776 -205801.2780 17614.4758 0.0000 0.0000 34381.2117 -148924.7314 300.2597 -183305.9431 -148830.0798 300.3609 -14.6779 14.8328 556295.4845 4.5500 4.5301 PRESSURE: 4886200 139.805 -82.4236 40.5419 -82.4226 -119.628 189.249 40.543 189.248 -227.237 GPRESSURE: 4886200 209.215 -64.3461 88.1957 -53.0273 -91.3962 297.88 8.16755 63.6947 -234.999 PRESSAVG: 4886200 -1.54329 49.2192 -35.5163 49.2191 -9.28143 33.9755 -35.5164 33.9754 -1.52418 GPRESSAVG: 4886200 -1.89295 49.3231 -37.8737 46.8798 -8.98414 34.9583 -33.7923 33.2461 -1.6725 TIMING: 4886200 CPU: 14500.5, 0.0029203/step Wall: 14500.5, 0.0029203/step, 0.092314 hours remaining, 209.257812 MB of memory in use. ENERGY: 4886200 767.0927 2107.8117 1947.0757 115.9059 -205985.0535 17807.8643 0.0000 0.0000 34324.0312 -148915.2720 299.7603 -183239.3032 -148819.7558 300.5024 -69.0198 -39.0599 556843.0177 -4.1163 -4.1832 PRESSURE: 4886400 -108.084 253.023 38.1962 253.023 71.6972 -150.123 38.1961 -150.122 212.616 GPRESSURE: 4886400 -59.2674 209.884 26.1768 267.874 143.323 -126.241 33.6839 -153.199 187.697 PRESSAVG: 4886400 -34.5511 26.2002 1.24881 26.2001 21.1898 -3.37855 1.24876 -3.37867 16.6708 GPRESSAVG: 4886400 -33.9533 23.223 3.74142 26.0239 21.7391 -3.2571 -0.116822 -2.96988 15.8266 TIMING: 4886400 CPU: 14501.1, 0.00293173/step Wall: 14501.1, 0.00293173/step, 0.0925124 hours remaining, 209.257812 MB of memory in use. ENERGY: 4886400 734.4974 2075.4127 1941.2376 116.2856 -206225.4554 17947.4394 0.0000 0.0000 34453.0055 -148957.5772 300.8867 -183410.5827 -148864.3800 300.2446 58.7429 90.5843 559481.9570 1.1032 1.2041 PRESSURE: 4886600 29.1269 -204.088 -54.8875 -204.089 147.813 118.59 -54.887 118.59 -133.41 GPRESSURE: 4886600 78.4739 -153.349 4.48612 -223.566 215.212 131.118 -58.2162 -1.08864 -148.509 PRESSAVG: 4886600 -98.7837 51.3735 -22.7994 51.3735 79.1348 49.7377 -22.7994 49.7376 7.45011 GPRESSAVG: 4886600 -98.6568 54.9138 -23.3165 52.4862 77.377 48.6781 -21.8725 48.5503 9.12314 TIMING: 4886600 CPU: 14501.7, 0.00292375/step Wall: 14501.7, 0.00292376/step, 0.0920983 hours remaining, 209.257812 MB of memory in use. ENERGY: 4886600 743.4796 2069.1420 1935.3781 115.5228 -205806.5636 17749.5372 0.0000 0.0000 34316.6208 -148876.8831 299.6956 -183193.5039 -148789.1083 300.1675 14.5101 48.3922 558503.2656 -4.0663 -4.0522 PRESSURE: 4886800 -64.222 -11.7463 -78.4413 -11.746 275.869 -41.3842 -78.4405 -41.3848 160.846 GPRESSURE: 4886800 -31.6015 13.118 -53.1272 -25.2046 313.397 25.3017 -153.997 -76.6679 194.095 PRESSAVG: 4886800 -78.7584 -20.2123 -24.7569 -20.2123 61.5784 -11.8061 -24.7568 -11.8062 23.4277 GPRESSAVG: 4886800 -79.8615 -20.0934 -25.3853 -22.0553 62.4777 -10.6469 -24.8499 -11.18 23.1202 TIMING: 4886800 CPU: 14502.3, 0.00289817/step Wall: 14502.3, 0.00289817/step, 0.0911314 hours remaining, 209.257812 MB of memory in use. ENERGY: 4886800 696.9711 2108.8159 1900.9545 119.4228 -206144.1769 17995.9825 0.0000 0.0000 34345.6174 -148976.4127 299.9488 -183322.0301 -148882.8240 300.1280 124.1642 158.6300 557297.3564 2.0826 1.9121 PRESSURE: 4887000 -202.32 94.7724 -94.5343 94.7724 9.67873 -99.4618 -94.533 -99.4631 176.794 GPRESSURE: 4887000 -149.232 109.253 -130.484 1.14595 70.2222 -20.7412 -64.8817 -164.738 157.694 PRESSAVG: 4887000 -72.8806 -14.8222 -19.381 -14.8222 23.5397 -18.6914 -19.3811 -18.6915 31.3403 GPRESSAVG: 4887000 -73.3556 -17.1002 -17.7578 -15.3209 25.6097 -21.7775 -20.05 -17.1577 29.8054 TIMING: 4887000 CPU: 14502.9, 0.00292673/step Wall: 14502.9, 0.00292673/step, 0.0918667 hours remaining, 209.257812 MB of memory in use. ENERGY: 4887000 728.1486 2088.4110 1916.9451 110.5824 -206034.0154 17850.0151 0.0000 0.0000 34411.7463 -148928.1669 300.5263 -183339.9132 -148831.0009 300.1002 -5.2822 26.2278 558184.9285 -6.0002 -5.9802 PRESSURE: 4887200 262.418 59.6205 -34.6197 59.6205 -63.6983 -14.7614 -34.6198 -14.7608 -78.7424 GPRESSURE: 4887200 294.272 52.2495 -63.481 77.9803 -15.9645 83.51 -44.2403 26.9464 -60.0298 PRESSAVG: 4887200 -0.725673 27.0031 19.148 27.0032 15.4348 7.03806 19.148 7.0382 54.7957 GPRESSAVG: 4887200 1.09732 27.7971 17.9509 27.8848 12.3331 8.06282 18.5651 7.58972 55.567 TIMING: 4887200 CPU: 14503.5, 0.00292517/step Wall: 14503.5, 0.00292517/step, 0.0916554 hours remaining, 209.257812 MB of memory in use. ENERGY: 4887200 699.8039 2113.8063 1937.1134 109.8414 -205872.5406 17670.8453 0.0000 0.0000 34169.7898 -149171.3405 298.4133 -183341.1303 -149077.2961 299.7449 39.9923 72.7592 557346.1376 23.1683 22.9991 PRESSURE: 4887400 -80.6938 -54.2226 106.154 -54.2244 -111.837 -13.4125 106.154 -13.4105 34.837 GPRESSURE: 4887400 -10.4282 21.2519 81.8622 -38.4411 -62.2041 75.7931 52.9858 7.7133 13.2585 PRESSAVG: 4887400 -16.2758 -57.9412 9.31506 -57.9412 -28.4166 -17.7481 9.31507 -17.7482 23.5621 GPRESSAVG: 4887400 -17.0262 -59.7393 9.34347 -55.9998 -26.9892 -17.006 10.3409 -17.7637 23.1838 TIMING: 4887400 CPU: 14504.1, 0.00295997/step Wall: 14504.1, 0.00295997/step, 0.0925812 hours remaining, 209.257812 MB of memory in use. ENERGY: 4887400 774.6414 2028.4515 1937.3791 113.2251 -206265.6595 17756.4480 0.0000 0.0000 34553.0040 -149102.5105 301.7600 -183655.5145 -149008.4849 299.5224 -52.5646 -19.7913 558738.6833 -7.0434 -6.9439 PRESSURE: 4887600 -370.345 -105.79 -167.579 -105.79 -229.279 24.7022 -167.579 24.701 -98.6356 GPRESSURE: 4887600 -335.97 -58.3693 -131.848 -119.616 -137.453 -81.6173 -188.063 186.386 -120.542 PRESSAVG: 4887600 -19.7631 -8.6257 -36.8422 -8.6257 40.6693 5.63085 -36.8422 5.63091 -13.1387 GPRESSAVG: 4887600 -19.7479 -4.42239 -36.1346 -11.3661 40.0959 5.95257 -35.6114 4.3862 -13.0583 TIMING: 4887600 CPU: 14504.6, 0.00293834/step Wall: 14504.6, 0.00293834/step, 0.0917414 hours remaining, 209.257812 MB of memory in use. ENERGY: 4887600 756.3148 2113.6952 1940.3166 128.5066 -205732.6261 17370.9179 0.0000 0.0000 34368.7166 -149054.1585 300.1505 -183422.8750 -148965.7160 300.1764 -232.7532 -197.9880 558541.8861 2.5892 2.4299 PRESSURE: 4887800 50.8958 196.296 19.3674 196.295 -113.22 298.928 19.3666 298.928 -192.888 GPRESSURE: 4887800 68.9464 214.073 46.7684 203.079 -96.2892 250.964 41.561 312.909 -133.283 PRESSAVG: 4887800 29.0365 -7.33406 -15.0179 -7.33405 38.5305 -17.5866 -15.0178 -17.5866 -45.7557 GPRESSAVG: 4887800 29.5749 -11.2237 -14.7814 -5.97798 38.456 -18.7638 -17.1281 -15.2121 -45.9531 TIMING: 4887800 CPU: 14505.2, 0.0029389/step Wall: 14505.2, 0.0029389/step, 0.0915957 hours remaining, 209.257812 MB of memory in use. ENERGY: 4887800 775.7579 2075.6850 1933.7238 115.2582 -205967.8081 17672.5001 0.0000 0.0000 34214.4567 -149180.4265 298.8034 -183394.8833 -149091.4243 299.4381 -85.0707 -53.5418 557005.3423 7.2704 7.3593 PRESSURE: 4888000 -37.3447 65.7555 36.4244 65.7561 396.607 21.5138 36.4239 21.5127 -108.81 GPRESSURE: 4888000 15.4946 63.2926 102.327 100.863 382.939 128.31 85.9908 -49.728 -53.7834 PRESSAVG: 4888000 -0.0889961 -9.89681 28.5154 -9.8968 86.6795 -35.5042 28.5154 -35.5042 -49.8468 GPRESSAVG: 4888000 -0.791344 -9.59107 29.9179 -8.9275 87.1721 -35.5548 29.9547 -36.6196 -49.7801 TIMING: 4888000 CPU: 14505.8, 0.00293968/step Wall: 14505.8, 0.00293968/step, 0.0914566 hours remaining, 209.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4888000 735.8793 2129.5800 1940.2520 117.7045 -206658.9593 17891.2324 0.0000 0.0000 34552.5554 -149291.7558 301.7561 -183844.3112 -149194.1069 299.9134 83.4841 114.8833 557351.7401 12.2479 12.2002 PRESSURE: 4888200 -275.056 26.2531 1.73251 26.2534 16.7041 -138.812 1.73355 -138.811 82.8663 GPRESSURE: 4888200 -199.242 111.772 -15.2184 25.5071 55.6771 -218.676 46.3293 -79.5261 63.6573 PRESSAVG: 4888200 11.6398 57.2055 55.6139 57.2055 8.76088 -11.8688 55.614 -11.8689 18.7229 GPRESSAVG: 4888200 11.5116 59.7149 51.2044 56.0151 9.04573 -12.3612 55.9744 -11.8424 18.1556 TIMING: 4888200 CPU: 14506.4, 0.00291778/step Wall: 14506.4, 0.00291778/step, 0.0906134 hours remaining, 209.257812 MB of memory in use. ENERGY: 4888200 740.7187 2129.4674 1929.7365 125.4439 -205919.1972 17662.2636 0.0000 0.0000 34265.5375 -149066.0295 299.2495 -183331.5670 -148964.7608 299.6287 -58.4952 -26.6357 557178.0633 13.0412 12.9043 LDB: ============= START OF LOAD BALANCING ============== 14510 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14510 LDB: =============== DONE WITH MIGRATION ================ 14510 LDB: ============= START OF LOAD BALANCING ============== 14510.2 LDB: Largest compute 4801 load 0.022334 is 18.9% of average load 0.118293 LDB: Average compute 0.001708 is 1.4% of average load 0.118293 LDB: TIME 14510.2 LOAD: AVG 0.118293 MAX 0.197724 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.262 MB LDB: TIME 14510.2 LOAD: AVG 0.118293 MAX 0.197724 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.262 MB LDB: TIME 14510.2 LOAD: AVG 0.118293 MAX 0.197724 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.262 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14510.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14510.3 PRESSURE: 4888400 -16.2045 21.4212 68.9667 21.4219 -5.80927 37.2466 68.9665 37.246 -219.359 GPRESSURE: 4888400 55.9895 19.7979 5.36862 37.4397 47.0853 30.0968 106.924 53.9465 -235.916 PRESSAVG: 4888400 -33.7117 60.894 19.0452 60.894 24.5108 -25.8791 19.0453 -25.8791 45.9334 GPRESSAVG: 4888400 -34.2709 61.1784 20.4065 60.253 24.1277 -26.4309 17.9257 -24.156 46.6141 TIMING: 4888400 CPU: 14507, 0.00297477/step Wall: 14507, 0.00297477/step, 0.0922177 hours remaining, 210.859375 MB of memory in use. ENERGY: 4888400 745.7516 2096.0552 1956.0715 112.9226 -206077.9946 17828.3468 0.0000 0.0000 34432.3749 -148906.4721 300.7065 -183338.8470 -148816.1399 300.1380 -80.4575 -44.2805 558446.2294 12.2441 12.1570 PRESSURE: 4888600 51.4805 77.5605 -45.7021 77.5593 -29.7125 -144.84 -45.7033 -144.84 -12.0281 GPRESSURE: 4888600 34.6732 3.11512 -35.5177 99.6284 -9.19646 -195.921 -58.0188 -120.226 81.1736 PRESSAVG: 4888600 -24.3528 -27.6206 9.09074 -27.6206 1.00279 -42.0457 9.09068 -42.0456 19.8592 GPRESSAVG: 4888600 -24.5673 -28.1989 7.83265 -28.0999 1.33273 -42.5295 11.9672 -43.361 19.7641 TIMING: 4888600 CPU: 14507.6, 0.00295518/step Wall: 14507.6, 0.00295518/step, 0.0914464 hours remaining, 210.929688 MB of memory in use. ENERGY: 4888600 735.9584 2131.1629 1947.7835 121.2421 -206097.1107 17613.2051 0.0000 0.0000 34522.0129 -149025.7457 301.4893 -183547.7586 -148928.3187 299.8863 3.2467 35.5501 556554.0105 -1.1636 -1.1568 PRESSURE: 4888800 72.8135 -55.3523 -112.445 -55.352 -199.753 -35.8263 -112.445 -35.8265 -150.299 GPRESSURE: 4888800 131.98 -93.9418 -221.116 -88.9956 -220.139 -95.8219 -3.88479 -53.3858 -81.1518 PRESSAVG: 4888800 27.2936 -43.0249 11.5633 -43.0249 -0.420618 -31.2401 11.5633 -31.2401 -8.8851 GPRESSAVG: 4888800 28.2629 -44.6048 13.5645 -40.7294 -0.569366 -30.4692 10.3569 -30.5544 -9.18885 TIMING: 4888800 CPU: 14508.2, 0.00295932/step Wall: 14508.2, 0.00295932/step, 0.0914102 hours remaining, 210.929688 MB of memory in use. ENERGY: 4888800 751.4411 2117.1993 1949.7075 109.4648 -205952.3014 17748.9502 0.0000 0.0000 34092.3233 -149183.2152 297.7367 -183275.5385 -149089.7838 299.8958 -92.4127 -56.4370 558912.6535 5.9960 6.1682 PRESSURE: 4889000 -155.191 -107.918 -121.025 -107.917 -287.24 -82.4198 -121.026 -82.4205 136.51 GPRESSURE: 4889000 -112.39 -211.387 -168.174 -87.5104 -247.377 -118.37 -74.1246 -112.108 161.263 PRESSAVG: 4889000 -23.0891 -2.60296 -26.6116 -2.60298 48.245 -34.4831 -26.6116 -34.4831 -14.5284 GPRESSAVG: 4889000 -23.6385 -0.0533511 -26.4381 -3.46059 47.9888 -34.8629 -26.3735 -34.2 -14.1955 TIMING: 4889000 CPU: 14508.8, 0.00295714/step Wall: 14508.8, 0.00295714/step, 0.0911784 hours remaining, 210.929688 MB of memory in use. ENERGY: 4889000 780.2989 2111.9855 1946.6308 109.5593 -206485.9105 17902.4244 0.0000 0.0000 34440.0539 -149194.9576 300.7736 -183635.0115 -149104.5328 299.4658 -101.9736 -66.1682 559484.1464 3.5425 3.3849 PRESSURE: 4889200 -152.443 64.9612 62.759 64.961 -32.6823 2.63512 62.7592 2.63496 -64.7414 GPRESSURE: 4889200 -154.412 68.4174 117.666 110.56 111.963 -59.265 43.6403 84.0734 -112.285 PRESSAVG: 4889200 32.662 -29.153 40.416 -29.153 -29.0424 -50.3545 40.4161 -50.3546 -23.7934 GPRESSAVG: 4889200 31.3376 -28.6188 39.4809 -29.0166 -27.7873 -48.9869 40.676 -51.8175 -24.2053 TIMING: 4889200 CPU: 14509.4, 0.00297587/step Wall: 14509.4, 0.00297587/step, 0.0915906 hours remaining, 210.929688 MB of memory in use. ENERGY: 4889200 778.8482 2065.6286 1943.9472 122.7348 -205990.2142 17695.3958 0.0000 0.0000 34203.7280 -149179.9316 298.7097 -183383.6596 -149088.2194 299.6696 -83.2887 -51.5782 557052.1874 -6.7246 -6.8850 PRESSURE: 4889400 -211.025 123.896 66.4792 123.894 -110.205 266.327 66.4781 266.327 20.1219 GPRESSURE: 4889400 -215.936 144.576 28.2641 103.763 -55.212 261.552 36.9728 254.301 66.5685 PRESSAVG: 4889400 -46.4946 -45.1006 11.765 -45.1006 -36.7118 6.23305 11.7649 6.23305 42.9737 GPRESSAVG: 4889400 -45.8806 -47.0118 11.6083 -44.2488 -38.7542 7.49001 11.3522 6.40827 44.0042 TIMING: 4889400 CPU: 14510, 0.00298077/step Wall: 14510, 0.00298077/step, 0.0915759 hours remaining, 210.929688 MB of memory in use. ENERGY: 4889400 801.5214 2012.8822 1917.5752 105.7622 -206087.5953 17651.0911 0.0000 0.0000 34391.8917 -149206.8715 300.3529 -183598.7633 -149106.0607 299.5072 -100.3695 -68.1933 558041.1960 -13.4109 -13.5435 PRESSURE: 4889600 95.1887 -60.1313 104.253 -60.1311 -108.109 103.267 104.251 103.267 -40.0051 GPRESSURE: 4889600 99.2724 -64.7513 86.905 -16.7084 -51.4364 23.3568 112.061 118.446 5.28785 PRESSAVG: 4889600 15.7652 16.9635 87.2565 16.9634 -35.4592 7.0905 87.2565 7.0905 0.722427 GPRESSAVG: 4889600 16.2381 17.8621 86.7503 15.758 -34.81 6.20288 85.082 7.4317 -0.0818788 TIMING: 4889600 CPU: 14510.6, 0.00295704/step Wall: 14510.6, 0.00295704/step, 0.0906825 hours remaining, 210.929688 MB of memory in use. ENERGY: 4889600 775.3162 2082.4194 1940.0577 115.0714 -206133.5040 17803.4143 0.0000 0.0000 34300.4588 -149116.7663 299.5544 -183417.2251 -149023.5220 299.4806 -17.6419 17.7080 557568.3331 -6.3239 -6.2179 PRESSURE: 4889800 22.0829 -72.9753 -55.3381 -72.9735 -118.257 -78.9609 -55.3374 -78.9624 333.514 GPRESSURE: 4889800 58.7042 -83.442 -69.9542 -21.9029 -88.5834 -85.3567 -125.147 -45.2023 386.08 PRESSAVG: 4889800 -42.5166 -62.2342 23.1413 -62.2342 78.6994 -16.025 23.1415 -16.0249 27.3127 GPRESSAVG: 4889800 -42.9422 -61.2367 24.2852 -59.6881 79.6485 -16.2445 23.5179 -16.3613 26.7981 TIMING: 4889800 CPU: 14511.2, 0.00296737/step Wall: 14511.2, 0.00296737/step, 0.0908343 hours remaining, 210.929688 MB of memory in use. ENERGY: 4889800 769.8332 2052.4928 1923.6201 95.6308 -206162.1635 17919.6994 0.0000 0.0000 34339.4271 -149061.4601 299.8948 -183400.8873 -148960.4796 299.7932 79.1130 118.7334 558518.0891 21.1652 21.1681 PRESSURE: 4890000 -167.552 -24.3685 -71.7651 -24.3686 137.635 -156.847 -71.765 -156.847 84.1231 GPRESSURE: 4890000 -136.733 -96.5483 -124.388 73.6601 168.909 -87.3484 -18.0555 -185.944 129.461 PRESSAVG: 4890000 -16.3186 -5.74889 -11.3029 -5.74895 22.0735 -5.76465 -11.303 -5.76453 -19.8363 GPRESSAVG: 4890000 -15.3282 -8.2614 -10.8355 -6.42923 21.1246 -7.3414 -11.7433 -4.01059 -19.9559 TIMING: 4890000 CPU: 14511.7, 0.00292707/step Wall: 14511.7, 0.00292707/step, 0.0894382 hours remaining, 210.929688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4890000 752.1097 2023.4822 1937.7673 116.9179 -206466.1533 17984.4759 0.0000 0.0000 34428.5457 -149222.8546 300.6731 -183651.4003 -149120.3999 299.1756 18.0690 53.8793 557025.1713 -4.6938 -4.7199 PRESSURE: 4890200 118.948 120.802 3.10826 120.802 188.161 -51.7291 3.10757 -51.7296 -153.271 GPRESSURE: 4890200 134.247 22.6395 35.2004 302.106 217.232 -79.2385 -6.98271 -84.2388 -92.4546 PRESSAVG: 4890200 39.2716 43.0253 -42.968 43.0252 -15.4849 -5.57582 -42.968 -5.57578 4.26392 GPRESSAVG: 4890200 38.8395 45.7462 -43.2847 41.6205 -16.1329 -4.40013 -43.0585 -7.65346 5.61401 TIMING: 4890200 CPU: 14512.3, 0.00292194/step Wall: 14512.3, 0.00292194/step, 0.0891191 hours remaining, 210.929688 MB of memory in use. ENERGY: 4890200 701.4108 2028.8752 1964.9600 116.9493 -206287.0107 17782.5337 0.0000 0.0000 34613.4323 -149078.8493 302.2877 -183692.2817 -148976.3971 299.4382 51.2791 86.3415 557153.1208 9.3502 9.4402 PRESSURE: 4890400 -279.729 -160.794 133.453 -160.794 225.719 5.10329 133.453 5.10377 -175.456 GPRESSURE: 4890400 -243.145 -149.385 164.134 -75.8868 291.078 -69.3093 47.2531 -3.89133 -171.9 PRESSAVG: 4890400 -6.099 43.5809 29.7392 43.5809 36.9089 -96.6909 29.7392 -96.6909 10.2067 GPRESSAVG: 4890400 -6.69184 40.6812 30.5137 46.3343 38.2112 -96.49 28.6681 -98.9274 9.27098 TIMING: 4890400 CPU: 14512.9, 0.00293408/step Wall: 14512.9, 0.00293408/step, 0.0893264 hours remaining, 210.929688 MB of memory in use. ENERGY: 4890400 728.0518 2063.7673 1950.7630 112.0111 -205622.7132 17376.5128 0.0000 0.0000 34278.2072 -149113.4001 299.3601 -183391.6073 -149015.3453 300.3269 -76.4887 -41.3222 557779.0886 13.6722 13.5968 PRESSURE: 4890600 153.102 -61.2399 114.362 -61.2397 -90.6494 -77.4513 114.363 -77.4496 -153.219 GPRESSURE: 4890600 203.93 -113.442 172.193 33.0457 -77.3955 -134.628 67.7737 9.07746 -122.104 PRESSAVG: 4890600 -8.85539 3.42873 -14.9065 3.42874 28.5453 35.4404 -14.9064 35.4406 -38.2161 GPRESSAVG: 4890600 -8.62455 3.64575 -15.4593 0.958144 28.0765 35.2309 -12.7087 37.5383 -37.9739 TIMING: 4890600 CPU: 14513.5, 0.00295967/step Wall: 14513.5, 0.00295967/step, 0.0899412 hours remaining, 210.929688 MB of memory in use. ENERGY: 4890600 769.5650 2072.2682 1944.1277 112.1470 -206217.6398 17729.4814 0.0000 0.0000 34128.4121 -149461.6385 298.0519 -183590.0506 -149367.5347 298.9365 -30.2556 1.4766 555338.2111 -6.1754 -6.1740 PRESSURE: 4890800 38.5495 -128.884 -94.0617 -128.885 -10.2041 -56.7039 -94.0603 -56.7039 -117.715 GPRESSURE: 4890800 91.4021 -65.6837 -115.143 -205.378 12.8137 -35.2516 -127.49 -28.8146 -95.3801 PRESSAVG: 4890800 55.8393 -43.6172 18.3758 -43.6172 -82.2044 29.932 18.3758 29.9321 13.4087 GPRESSAVG: 4890800 56.2885 -43.282 18.1882 -44.1146 -82.0502 28.0971 16.0035 30.0143 12.8997 TIMING: 4890800 CPU: 14514.1, 0.00296868/step Wall: 14514.1, 0.00296868/step, 0.09005 hours remaining, 210.929688 MB of memory in use. ENERGY: 4890800 759.4019 2042.9158 1955.9658 115.2537 -206284.6288 17741.2188 0.0000 0.0000 34175.8140 -149494.0588 298.4659 -183669.8728 -149400.2260 299.0563 -29.7900 2.9452 556667.2882 -4.3188 -4.2874 PRESSURE: 4891000 -205.343 -78.8251 153.68 -78.8256 53.0867 9.54862 153.68 9.54941 44.3349 GPRESSURE: 4891000 -157.742 41.125 113.178 -78.4881 69.2117 -1.99236 176.822 46.0668 69.1711 PRESSAVG: 4891000 25.1623 16.0134 -16.8616 16.0134 5.10254 -12.4913 -16.8616 -12.4914 -40.2019 GPRESSAVG: 4891000 24.553 17.7702 -16.1214 16.5142 4.96671 -10.2513 -15.9075 -14.1215 -39.7132 TIMING: 4891000 CPU: 14514.7, 0.00293843/step Wall: 14514.7, 0.00293843/step, 0.0889692 hours remaining, 211.187500 MB of memory in use. ENERGY: 4891000 736.2811 2090.2861 1917.5247 115.2451 -206573.2154 17993.0853 0.0000 0.0000 34199.2434 -149521.5499 298.6705 -183720.7933 -149434.3628 298.1509 -35.9736 -6.4529 557289.5173 -3.3123 -3.3979 PRESSURE: 4891200 -365.998 -51.8889 24.5453 -51.8887 -268.068 -7.99489 24.545 -7.99387 -220.69 GPRESSURE: 4891200 -319.491 -43.9785 -30.4136 -51.7077 -254.781 -76.3056 80.8356 61.5407 -183.839 PRESSAVG: 4891200 16.8982 -46.7612 63.0658 -46.7613 0.645871 39.2852 63.0659 39.2853 40.1426 GPRESSAVG: 4891200 18.4909 -47.5487 61.6321 -47.3232 -0.176456 38.5321 64.4588 41.3546 39.4432 TIMING: 4891200 CPU: 14515.3, 0.00295114/step Wall: 14515.3, 0.00295114/step, 0.08919 hours remaining, 211.187500 MB of memory in use. ENERGY: 4891200 740.9377 2099.3167 1897.0425 104.1481 -206253.5088 17558.7311 0.0000 0.0000 34115.2479 -149738.0848 297.9369 -183853.3327 -149639.0208 298.1102 -284.9188 -252.7037 558942.4581 19.2289 19.2525 PRESSURE: 4891400 -212.745 -57.0726 88.3497 -57.0731 -197.832 69.6187 88.3504 69.6171 -351.958 GPRESSURE: 4891400 -223.263 -84.6462 50.031 -79.4972 -98.3977 87.0527 121.802 53.4547 -340.686 PRESSAVG: 4891400 -7.4188 0.631893 71.7988 0.631989 13.7339 6.61517 71.7988 6.61507 -13.7169 GPRESSAVG: 4891400 -8.79619 0.938906 74.7529 0.345524 13.8873 5.29826 70.8129 6.33028 -13.2915 TIMING: 4891400 CPU: 14515.9, 0.00293793/step Wall: 14515.9, 0.00293793/step, 0.0886275 hours remaining, 211.187500 MB of memory in use. ENERGY: 4891400 777.9612 2024.0035 1913.8805 118.7546 -206109.5756 17607.6948 0.0000 0.0000 33964.8153 -149702.4656 296.6232 -183667.2809 -149612.5126 298.4360 -254.1783 -220.7824 557931.2721 -2.4673 -2.7335 PRESSURE: 4891600 -167.927 46.5189 -110.965 46.5189 -186.633 -68.6634 -110.966 -68.6639 -318.336 GPRESSURE: 4891600 -172.593 74.3963 -161.585 -8.90469 -142.09 -97.0599 -134.187 -81.4246 -258.495 PRESSAVG: 4891600 -7.80911 -1.9592 54.154 -1.95912 12.3234 12.4609 54.1539 12.4609 4.81986 GPRESSAVG: 4891600 -7.49207 -2.4564 50.9159 -1.34342 12.5325 13.1128 55.3254 11.7464 4.32502 TIMING: 4891600 CPU: 14516.4, 0.00293372/step Wall: 14516.4, 0.00293372/step, 0.0883376 hours remaining, 211.187500 MB of memory in use. ENERGY: 4891600 754.2005 2063.6198 1930.7137 92.7131 -206732.6796 17821.8167 0.0000 0.0000 34287.9077 -149781.7080 299.4448 -184069.6157 -149689.9588 297.7104 -224.2984 -191.0592 558552.1370 3.1114 3.1218 PRESSURE: 4891800 -34.3539 -151.105 -178.782 -151.106 -248.199 30.1479 -178.784 30.1476 191.107 GPRESSURE: 4891800 42.1523 -173.657 -148.345 -172.844 -215.318 68.4814 -184.112 20.6549 165.394 PRESSAVG: 4891800 -4.16606 14.385 9.71781 14.385 84.2515 21.4523 9.71786 21.4522 -30.9602 GPRESSAVG: 4891800 -5.03963 16.3137 12.1262 12.5675 85.1161 22.9911 9.54975 22.7706 -31.0374 TIMING: 4891800 CPU: 14517, 0.00294446/step Wall: 14517, 0.00294446/step, 0.0884973 hours remaining, 211.187500 MB of memory in use. ENERGY: 4891800 722.4425 2059.1459 1923.7000 123.1727 -206651.9779 17783.8536 0.0000 0.0000 34203.9395 -149835.7237 298.7115 -184039.6633 -149745.4637 297.8428 -30.4819 -2.5908 556149.0531 16.3751 16.3463 PRESSURE: 4892000 -84.9037 -52.4275 -71.3288 -52.4272 -134.392 -47.2973 -71.3288 -47.2977 -1.44327 GPRESSURE: 4892000 -95.3359 -50.6381 -95.4092 -56.8413 -42.6054 -30.8671 -11.0026 -40.5288 9.74026 PRESSAVG: 4892000 -9.45366 -48.4576 -21.9532 -48.4574 -38.3303 28.9792 -21.9532 28.9793 16.9695 GPRESSAVG: 4892000 -9.43722 -52.0864 -24.8346 -45.6264 -38.7049 28.148 -23.3311 27.5738 17.2433 TIMING: 4892000 CPU: 14517.6, 0.0029316/step Wall: 14517.6, 0.0029316/step, 0.0879479 hours remaining, 211.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4892000 795.7119 2091.0874 1945.8525 108.2504 -206844.6778 17930.6729 0.0000 0.0000 34124.1700 -149848.9326 298.0149 -183973.1026 -149748.4779 297.9546 -73.5796 -42.7337 555139.0798 -10.2715 -10.2996 PRESSURE: 4892200 -143.327 94.2474 -102.49 94.2486 -150.805 -46.9687 -102.491 -46.9679 -128.087 GPRESSURE: 4892200 -109.787 22.4718 -120.149 172.449 -83.8332 -88.5864 -129.076 -48.0248 -120.826 PRESSAVG: 4892200 -38.1577 -27.2518 -22.2964 -27.2519 34.3551 16.1124 -22.2964 16.1125 57.9994 GPRESSAVG: 4892200 -37.8253 -24.7471 -19.7954 -30.0869 33.2495 16 -20.5844 18.9896 58.7395 TIMING: 4892200 CPU: 14518.2, 0.00296189/step Wall: 14518.2, 0.00296189/step, 0.0886922 hours remaining, 211.187500 MB of memory in use. ENERGY: 4892200 778.2583 2085.6006 1916.3117 112.1892 -206407.2558 17747.0231 0.0000 0.0000 33926.1138 -149841.7592 296.2852 -183767.8730 -149741.2773 298.3962 -140.7395 -104.8155 556206.7337 18.0656 18.0546 LDB: ============= START OF LOAD BALANCING ============== 14521.8 LDB: ============== END OF LOAD BALANCING =============== 14521.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14521.8 LDB: ============= START OF LOAD BALANCING ============== 14522.1 LDB: Largest compute 4801 load 0.023054 is 19.5% of average load 0.118243 LDB: Average compute 0.001712 is 1.4% of average load 0.118243 LDB: TIME 14522.1 LOAD: AVG 0.118243 MAX 0.197902 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.84 MB LDB: TIME 14522.1 LOAD: AVG 0.118243 MAX 0.197902 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.84 MB LDB: TIME 14522.1 LOAD: AVG 0.118243 MAX 0.197902 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14522.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14522.1 PRESSURE: 4892400 -168.994 -151.306 -32.4835 -151.305 -29.3399 -128.102 -32.4825 -128.102 -29.52 GPRESSURE: 4892400 -110.1 -148.566 16.0871 -188.609 -31.5086 -37.2627 -49.9704 -101.651 3.34108 PRESSAVG: 4892400 20.806 -4.15148 -0.286739 -4.15146 24.8901 29.5423 -0.286839 29.5423 -36.2837 GPRESSAVG: 4892400 20.6363 -5.08112 -1.6353 -3.37865 25.5332 29.3371 -1.2524 26.9937 -36.9 TIMING: 4892400 CPU: 14518.8, 0.00300274/step Wall: 14518.8, 0.00300274/step, 0.0897485 hours remaining, 208.660156 MB of memory in use. ENERGY: 4892400 731.8144 2052.0199 1945.9224 119.5271 -206073.6677 17578.4674 0.0000 0.0000 33891.8129 -149754.1036 295.9856 -183645.9166 -149654.2371 297.2685 -75.9512 -46.0891 557377.0363 3.1375 3.0898 PRESSURE: 4892600 -301.648 136.123 108.718 136.123 222.483 -4.75906 108.718 -4.75975 -76.9168 GPRESSURE: 4892600 -314.821 146.429 95.4254 109.154 249.519 11.9478 124.329 23.0899 -11.4944 PRESSAVG: 4892600 -12.6844 -3.29357 44.2244 -3.29363 22.7781 22.1365 44.2245 22.1365 -8.20027 GPRESSAVG: 4892600 -13.7539 -3.9944 44.7184 -3.52905 22.8787 22.3724 43.9864 22.2227 -7.76184 TIMING: 4892600 CPU: 14519.4, 0.00295019/step Wall: 14519.4, 0.00295019/step, 0.0880141 hours remaining, 208.859375 MB of memory in use. ENERGY: 4892600 737.6061 2027.7960 1911.9756 115.5291 -206486.4885 17780.1808 0.0000 0.0000 34148.6586 -149764.7423 298.2287 -183913.4008 -149671.9745 297.8263 -52.0273 -25.5989 558197.1843 0.6311 0.4543 PRESSURE: 4892800 -127.462 -23.6123 91.1856 -23.613 -284.535 44.6507 91.1839 44.6521 -46.7421 GPRESSURE: 4892800 -96.3565 -56.8556 172.548 -0.226233 -235.422 53.2318 25.3862 21.886 -10.9883 PRESSAVG: 4892800 -32.7908 17.6218 55.1979 17.6218 76.7131 -27.4507 55.198 -27.4506 -40.9661 GPRESSAVG: 4892800 -32.3267 19.9233 55.3507 17.7958 77.1516 -28.4683 57.4042 -26.5156 -41.6322 TIMING: 4892800 CPU: 14520, 0.00295487/step Wall: 14520, 0.00295487/step, 0.0879895 hours remaining, 208.859375 MB of memory in use. ENERGY: 4892800 732.6132 2130.8854 1948.4519 125.2690 -206324.3864 17729.9997 0.0000 0.0000 34142.8385 -149514.3286 298.1779 -183657.1671 -149416.8389 298.7176 -152.9130 -114.2555 558868.5065 0.9854 1.0642 PRESSURE: 4893000 165.062 51.2346 27.1395 51.2351 140.414 57.887 27.1399 57.8849 26.2771 GPRESSURE: 4893000 162.603 -32.4948 1.20641 47.7581 150.071 14.6017 -14.9887 52.1121 107.428 PRESSAVG: 4893000 53.754 16.155 -3.14819 16.1551 -27.0717 13.3324 -3.14826 13.3324 6.2067 GPRESSAVG: 4893000 53.1354 13.1557 -5.58376 17.1442 -27.6358 16.4523 -5.01938 12.5605 6.80698 TIMING: 4893000 CPU: 14520.6, 0.00296605/step Wall: 14520.6, 0.00296605/step, 0.0881576 hours remaining, 208.859375 MB of memory in use. ENERGY: 4893000 762.8106 2085.0904 1922.3389 117.1186 -206854.0531 18143.6059 0.0000 0.0000 34286.3646 -149536.7241 299.4313 -183823.0887 -149441.0810 298.2496 110.5845 140.0341 557536.6438 10.9630 10.7689 PRESSURE: 4893200 247.358 -2.63381 -24.6055 -2.6336 34.5693 34.4941 -24.6045 34.4941 246.023 GPRESSURE: 4893200 285.017 27.3636 -97.8653 -42.8712 84.9767 20.2104 41.7119 118.748 259.08 PRESSAVG: 4893200 17.5264 -43.1052 -13.3006 -43.1051 -44.8079 -39.4705 -13.3006 -39.4704 4.8064 GPRESSAVG: 4893200 17.29 -41.0762 -12.2482 -45.6427 -43.7995 -41.6015 -12.2884 -36.4436 4.14298 TIMING: 4893200 CPU: 14521.2, 0.00298601/step Wall: 14521.2, 0.00298601/step, 0.0885849 hours remaining, 208.859375 MB of memory in use. ENERGY: 4893200 751.3140 2095.5669 1945.7730 122.4890 -206739.0542 18264.8903 0.0000 0.0000 34248.9275 -149310.0934 299.1044 -183559.0209 -149207.6405 299.0523 175.9832 209.6912 557047.6209 -7.4917 -7.4555 PRESSURE: 4893400 -309.137 -100.792 30.4957 -100.792 -167.54 76.2991 30.4958 76.2988 -371.529 GPRESSURE: 4893400 -302.767 -171.57 28.839 -40.5069 -97.0964 21.6864 92.1297 27.5617 -344.651 PRESSAVG: 4893400 120.604 -50.489 -52.4027 -50.4889 -65.0689 15.4478 -52.4028 15.4478 -22.0874 GPRESSAVG: 4893400 121.175 -50.6254 -52.0231 -47.5894 -65.6126 15.828 -52.4012 12.9892 -21.8687 TIMING: 4893400 CPU: 14521.8, 0.00293105/step Wall: 14521.8, 0.00293105/step, 0.0867916 hours remaining, 208.859375 MB of memory in use. ENERGY: 4893400 780.2243 2070.7877 1917.5748 105.6857 -206329.8183 17587.9458 0.0000 0.0000 34556.6196 -149310.9804 301.7916 -183867.6001 -149211.1705 299.2005 -282.7354 -248.1713 557924.2380 11.1491 11.2313 PRESSURE: 4893600 325.245 -24.5219 -10.8118 -24.5209 27.0963 -93.7402 -10.8116 -93.739 151.727 GPRESSURE: 4893600 347.523 -97.8034 4.94825 -40.3863 90.9756 -41.783 32.3745 -56.1907 172.939 PRESSAVG: 4893600 71.2402 -43.8942 -7.8951 -43.8942 -81.5808 -36.4654 -7.89514 -36.4655 -13.4856 GPRESSAVG: 4893600 71.6662 -44.1426 -7.05808 -44.0982 -82.7082 -34.4535 -7.81232 -37.663 -13.1998 TIMING: 4893600 CPU: 14522.4, 0.00294334/step Wall: 14522.4, 0.00294334/step, 0.086992 hours remaining, 208.859375 MB of memory in use. ENERGY: 4893600 765.6339 2084.6053 1955.5661 114.5749 -206400.6274 17967.8065 0.0000 0.0000 34457.8461 -149054.5945 300.9289 -183512.4406 -148962.8006 299.9110 168.0229 203.8127 555982.5009 -7.9421 -8.0806 PRESSURE: 4893800 -248.68 20.3616 -69.6491 20.3625 -62.0129 75.6532 -69.6474 75.6521 -207.278 GPRESSURE: 4893800 -215.047 -10.9375 -48.4571 32.525 -33.7303 167.443 -49.7835 6.90278 -178.055 PRESSAVG: 4893800 40.389 -54.7151 36.365 -54.7149 1.15007 0.807331 36.3651 0.807332 -35.2318 GPRESSAVG: 4893800 39.7836 -56.3193 36.2516 -54.321 2.2678 -2.01307 36.2305 0.0650551 -35.1214 TIMING: 4893800 CPU: 14523, 0.00294537/step Wall: 14523, 0.00294537/step, 0.0868884 hours remaining, 208.859375 MB of memory in use. ENERGY: 4893800 758.1916 2140.8219 1913.7817 108.8234 -205924.6268 17612.8880 0.0000 0.0000 34542.5581 -148847.5619 301.6688 -183390.1200 -148746.8064 300.1219 -172.6568 -142.2775 558464.4291 2.1024 2.3100 PRESSURE: 4894000 68.0753 25.7356 -43.7495 25.7348 -38.5216 123.847 -43.7492 123.848 86.4219 GPRESSURE: 4894000 101.421 -38.5827 -34.7616 -29.2337 14.191 17.361 22.5261 112.358 105.305 PRESSAVG: 4894000 -83.4374 30.9983 -21.4778 30.9982 14.6736 11.2684 -21.4778 11.2683 40.2737 GPRESSAVG: 4894000 -82.8475 32.6902 -21.4502 30.2578 14.6625 11.9738 -21.5729 13.7964 39.9402 TIMING: 4894000 CPU: 14523.5, 0.00291195/step Wall: 14523.5, 0.00291195/step, 0.0857406 hours remaining, 208.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4894000 746.4523 2083.3529 1940.0310 114.8542 -206036.9374 17929.8585 0.0000 0.0000 34447.4611 -148774.9272 300.8382 -183222.3884 -148679.6474 300.4808 38.6585 73.6390 558287.9373 -9.4967 -9.4149 PRESSURE: 4894200 -228.476 69.3241 91.151 69.3238 -290.372 16.8858 91.149 16.8859 -436.403 GPRESSURE: 4894200 -211.691 39.7492 98.4406 110.085 -285.4 -5.35099 43.7067 67.9051 -366.811 PRESSAVG: 4894200 -41.6908 40.2685 2.9903 40.2684 28.1532 -8.45639 2.99038 -8.45644 -25.1021 GPRESSAVG: 4894200 -42.0108 38.8994 0.839601 41.3143 26.8397 -8.3662 1.17685 -7.94413 -23.6041 TIMING: 4894200 CPU: 14524.1, 0.00293889/step Wall: 14524.1, 0.00293889/step, 0.0863707 hours remaining, 208.859375 MB of memory in use. ENERGY: 4894200 770.5099 2039.8804 1923.3599 123.8291 -205373.8753 17399.3866 0.0000 0.0000 34265.9666 -148850.9427 299.2532 -183116.9093 -148756.4131 300.5840 -318.4171 -287.9672 560290.8923 -12.8799 -12.9251 PRESSURE: 4894400 -332.562 109.583 -16.8796 109.584 3.83711 146.803 -16.8797 146.801 186.086 GPRESSURE: 4894400 -246.752 35.5989 -13.8598 195.291 -15.2651 128.101 -8.68774 130.086 207.915 PRESSAVG: 4894400 -32.5108 21.1861 16.0972 21.1861 -55.6421 -16.3446 16.0973 -16.3445 42.0384 GPRESSAVG: 4894400 -31.8859 22.5929 16.3853 22.5987 -55.5277 -13.6467 18.588 -17.6506 40.9908 TIMING: 4894400 CPU: 14524.7, 0.00293789/step Wall: 14524.7, 0.00293789/step, 0.0861781 hours remaining, 208.859375 MB of memory in use. ENERGY: 4894400 760.2507 2130.2170 1897.0462 108.0173 -206195.5390 17866.2209 0.0000 0.0000 34467.3821 -148966.4048 301.0122 -183433.7869 -148866.2952 300.1227 -47.5463 -18.0339 557965.5890 -15.3715 -15.4742 PRESSURE: 4894600 -21.8414 169.94 -95.5603 169.94 -77.5319 -4.95641 -95.5608 -4.95571 -78.8362 GPRESSURE: 4894600 -7.7087 58.0639 -2.12824 206.392 6.29643 -31.5515 -145.272 45.5121 -66.1439 PRESSAVG: 4894600 -13.1529 8.64084 19.9886 8.64086 17.5843 39.4485 19.9886 39.4484 -30.8943 GPRESSAVG: 4894600 -13.2691 9.72588 20.4971 6.96496 17.1461 37.8097 19.8823 40.0847 -30.8292 TIMING: 4894600 CPU: 14525.3, 0.00293056/step Wall: 14525.3, 0.00293056/step, 0.0858004 hours remaining, 208.859375 MB of memory in use. ENERGY: 4894600 776.9699 2121.1075 1947.0244 108.6538 -205807.0955 17607.2129 0.0000 0.0000 34383.1158 -148863.0111 300.2763 -183246.1269 -148772.7829 299.7777 -59.4032 -22.5187 557005.3495 -8.8210 -8.9841 PRESSURE: 4894800 -261.696 -150.389 -164.894 -150.389 140.908 -130.455 -164.894 -130.456 143.409 GPRESSURE: 4894800 -234.339 -192.28 -122.555 -85.2047 148.128 -150.385 -153.963 -88.009 204.765 PRESSAVG: 4894800 -77.632 27.171 11.0354 27.1709 61.5264 -13.3524 11.0354 -13.3525 -26.8456 GPRESSAVG: 4894800 -77.3415 26.3623 9.99825 25.9698 62.0727 -12.1598 11.0724 -12.9581 -27.1798 TIMING: 4894800 CPU: 14525.9, 0.00293011/step Wall: 14525.9, 0.00293011/step, 0.0856244 hours remaining, 208.859375 MB of memory in use. ENERGY: 4894800 732.7684 2092.8023 1934.2095 118.6921 -205970.7066 17787.3105 0.0000 0.0000 34291.0143 -149013.9096 299.4720 -183304.9238 -148919.7174 300.1485 7.5406 39.5182 557258.1484 -14.3171 -14.1495 PRESSURE: 4895000 -140.77 62.2333 115.624 62.2333 -459.782 -71.4107 115.624 -71.4121 -102.355 GPRESSURE: 4895000 -133.267 -17.899 183.246 122.038 -408.778 -65.8742 55.1163 -95.8502 -48.895 PRESSAVG: 4895000 -2.34719 -34.5425 10.3251 -34.5425 40.0436 -0.612939 10.3252 -0.613028 -22.1754 GPRESSAVG: 4895000 -3.3711 -35.7446 11.8762 -33.1834 40.9107 -3.47304 9.23499 -0.219668 -22.2229 TIMING: 4895000 CPU: 14526.5, 0.00291584/step Wall: 14526.5, 0.00291584/step, 0.0850453 hours remaining, 208.859375 MB of memory in use. ENERGY: 4895000 792.3834 2114.4460 1970.3935 114.2594 -205854.4999 17666.5060 0.0000 0.0000 34162.5500 -149033.9616 298.3500 -183196.5116 -148938.8994 299.8458 -234.3020 -196.9800 559219.4665 5.1737 5.1056 PRESSURE: 4895200 193.351 -14.8735 40.0641 -14.8741 105.276 -75.5633 40.0649 -75.5632 42.5018 GPRESSURE: 4895200 208.253 68.8805 40.869 -49.4279 131.584 -34.8252 26.3714 -45.9424 100.289 PRESSAVG: 4895200 50.6781 25.279 63.6554 25.279 -1.67315 -28.9064 63.6554 -28.9065 -32.4416 GPRESSAVG: 4895200 49.4457 27.7552 65.0195 23.4135 -1.53574 -25.3677 63 -31.4259 -31.5148 TIMING: 4895200 CPU: 14527.1, 0.00293071/step Wall: 14527.1, 0.00293071/step, 0.0853162 hours remaining, 208.859375 MB of memory in use. ENERGY: 4895200 752.5214 2075.8385 1930.7991 114.4215 -206363.9352 18103.2479 0.0000 0.0000 34407.5332 -148979.5736 300.4895 -183387.1068 -148879.1940 299.8849 113.7099 146.7088 558861.2597 5.5211 5.4651 PRESSURE: 4895400 318.253 -172.704 -8.26404 -172.702 -62.2105 5.60355 -8.26325 5.60554 112.937 GPRESSURE: 4895400 338.763 -223.29 7.28747 -239.911 6.67816 38.6675 -35.3166 -43.3603 126.536 PRESSAVG: 4895400 -34.4786 -51.8481 -24.167 -51.848 28.2261 -5.81079 -24.1671 -5.81069 6.64706 GPRESSAVG: 4895400 -32.6364 -53.4142 -26.1546 -50.6716 27.4132 -8.70647 -23.0439 -3.39939 5.55687 TIMING: 4895400 CPU: 14527.6, 0.00294643/step Wall: 14527.6, 0.00294643/step, 0.0856101 hours remaining, 208.859375 MB of memory in use. ENERGY: 4895400 787.0357 2099.6220 1913.9898 118.5234 -206279.8846 18064.2225 0.0000 0.0000 34171.3104 -149125.1808 298.4266 -183296.4912 -149025.2400 299.8610 122.9930 157.3257 557910.5814 0.1315 0.1112 PRESSURE: 4895600 -75.9479 -53.5079 153.843 -53.5074 -24.0917 -77.6176 153.843 -77.617 83.3528 GPRESSURE: 4895600 -47.3022 -25.8226 188.566 -23.9553 51.8391 -57.9683 138.222 -41.3577 54.2328 PRESSAVG: 4895600 54.2211 -21.1794 -44.4112 -21.1793 -39.2363 12.8139 -44.411 12.814 -17.1147 GPRESSAVG: 4895600 53.5272 -22.3543 -44.8951 -20.6538 -38.9995 12.4635 -45.6719 13.0554 -16.5861 TIMING: 4895600 CPU: 14528.2, 0.00293529/step Wall: 14528.2, 0.00293529/step, 0.0851234 hours remaining, 208.859375 MB of memory in use. ENERGY: 4895600 765.2685 2108.3495 1912.6581 115.5983 -206481.5271 17909.7893 0.0000 0.0000 34440.5577 -149229.3057 300.7780 -183669.8634 -149127.5817 298.9350 -5.5623 19.5899 556396.8833 -0.7100 -0.6861 PRESSURE: 4895800 5.76049 79.9489 -75.7302 79.949 -45.0423 82.6043 -75.73 82.6041 16.6019 GPRESSURE: 4895800 56.9333 -33.8326 -139.205 184.698 -59.5521 37.5863 -78.5007 66.6318 71.4157 PRESSAVG: 4895800 -52.2952 -6.09704 -16.9968 -6.09687 -11.0521 9.36448 -16.9968 9.36458 43.9642 GPRESSAVG: 4895800 -51.1578 -3.29629 -14.2485 -6.33408 -11.2733 9.67156 -17.4147 9.84858 42.6997 TIMING: 4895800 CPU: 14528.8, 0.00291618/step Wall: 14528.8, 0.00291618/step, 0.0844072 hours remaining, 208.859375 MB of memory in use. ENERGY: 4895800 711.1546 2084.2611 1953.6849 107.9143 -205823.0527 17718.5479 0.0000 0.0000 33913.2181 -149334.2717 296.1726 -183247.4899 -149239.6331 299.0155 -7.5600 22.9323 558159.9705 -6.4610 -6.5771 PRESSURE: 4896000 -16.8116 1.64616 115.811 1.64513 125.081 -107.162 115.81 -107.163 183.477 GPRESSURE: 4896000 44.0897 48.0995 145.373 5.28653 127.263 -118.965 104.285 -172.437 215.457 PRESSAVG: 4896000 -17.0631 -58.4266 8.8726 -58.4266 60.2706 -44.7117 8.87259 -44.7116 -34.9734 GPRESSAVG: 4896000 -17.1964 -60.5998 7.02061 -58.7853 60.5968 -43.8862 9.74102 -44.9525 -35.3163 TIMING: 4896000 CPU: 14529.4, 0.002929/step Wall: 14529.4, 0.002929/step, 0.0846156 hours remaining, 208.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4896000 758.9061 2083.2088 1929.4944 123.3305 -205908.9228 17719.3787 0.0000 0.0000 33894.6792 -149399.9251 296.0107 -183294.6043 -149297.6312 298.5428 97.2488 128.9366 555599.3987 2.7447 2.6947 PRESSURE: 4896200 -202.303 -5.10153 87.3848 -5.10134 -46.3309 -16.4679 87.3852 -16.4661 175.374 GPRESSURE: 4896200 -211.158 -107.541 80.9373 65.215 16.7092 -56.8739 157.04 -37.7372 216.719 PRESSAVG: 4896200 -52.0212 -10.2035 7.90248 -10.2034 -8.96454 -39.2291 7.90264 -39.2291 74.4535 GPRESSAVG: 4896200 -53.1515 -10.0782 9.11439 -8.42682 -9.30377 -40.759 8.8278 -39.2429 75.8267 TIMING: 4896200 CPU: 14530, 0.00290212/step Wall: 14530, 0.00290212/step, 0.0836779 hours remaining, 208.859375 MB of memory in use. ENERGY: 4896200 765.4429 2118.7108 1919.1012 120.7409 -206532.4812 17822.7077 0.0000 0.0000 34417.5579 -149368.2198 300.5771 -183785.7777 -149271.8598 298.7241 -24.4200 7.4236 556208.2045 4.4892 4.4571 LDB: ============= START OF LOAD BALANCING ============== 14533.5 LDB: ============== END OF LOAD BALANCING =============== 14533.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14533.5 LDB: ============= START OF LOAD BALANCING ============== 14533.8 LDB: Largest compute 4801 load 0.023995 is 20.3% of average load 0.118317 LDB: Average compute 0.001717 is 1.5% of average load 0.118317 LDB: TIME 14533.8 LOAD: AVG 0.118317 MAX 0.195216 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.949 MB LDB: TIME 14533.8 LOAD: AVG 0.118317 MAX 0.195216 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.949 MB LDB: TIME 14533.8 LOAD: AVG 0.118317 MAX 0.195216 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14533.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14533.8 PRESSURE: 4896400 56.1529 58.6338 -27.5538 58.6343 -4.67342 5.32806 -27.5546 5.32873 -218.562 GPRESSURE: 4896400 87.7179 68.4776 -130.441 44.5092 -18.8887 -14.7598 -6.92461 -69.4549 -143.24 PRESSAVG: 4896400 -59.6341 -12.6479 34.0822 -12.6479 49.1291 3.86921 34.0822 3.86919 -4.68606 GPRESSAVG: 4896400 -59.2904 -11.8354 32.7976 -14.1367 49.8305 6.64379 33.7851 2.05152 -5.64108 TIMING: 4896400 CPU: 14530.6, 0.00295721/step Wall: 14530.6, 0.00295721/step, 0.085102 hours remaining, 210.257812 MB of memory in use. ENERGY: 4896400 746.3308 2093.7252 1946.6214 110.8939 -206600.8833 17845.7396 0.0000 0.0000 34537.6815 -149319.8909 301.6262 -183857.5724 -149221.8786 300.1582 -55.6942 -24.8036 557218.1367 -5.0637 -5.0337 PRESSURE: 4896600 -76.8516 -106.523 56.7972 -106.523 -125.525 -138.841 56.797 -138.841 -125.858 GPRESSURE: 4896600 -21.6686 -75.5455 95.7591 -38.534 -77.3057 -101.868 37.8556 -124.893 -139.228 PRESSAVG: 4896600 -29.1129 -4.47386 -34.1608 -4.47386 16.3907 41.5405 -34.1609 41.5405 -10.5149 GPRESSAVG: 4896600 -30.0257 -4.72767 -33.5996 -3.74794 17.1949 40.9056 -34.6214 42.7737 -10.5755 TIMING: 4896600 CPU: 14531.2, 0.00291261/step Wall: 14531.2, 0.00291261/step, 0.0836567 hours remaining, 210.328125 MB of memory in use. ENERGY: 4896600 729.7571 2138.4614 1932.1329 120.4765 -206183.9089 17775.5360 0.0000 0.0000 33996.5745 -149490.9705 296.9005 -183487.5450 -149394.0642 299.1405 -109.4116 -79.4009 557278.8811 -7.7457 -7.8021 PRESSURE: 4896800 -91.1144 -55.0114 -60.9748 -55.0118 -171.533 -31.3443 -60.9751 -31.3429 166.123 GPRESSURE: 4896800 -13.996 -92.7187 -43.9163 -123.731 -194.594 -36.695 -43.9112 -159.863 216.424 PRESSAVG: 4896800 -5.28167 -75.935 -40.7871 -75.9349 23.1755 13.4224 -40.7871 13.4225 -10.5677 GPRESSAVG: 4896800 -5.06142 -76.0415 -43.3929 -76.79 22.0671 13.2507 -38.2892 13.2823 -9.00869 TIMING: 4896800 CPU: 14531.7, 0.00292417/step Wall: 14531.7, 0.00292417/step, 0.0838262 hours remaining, 210.328125 MB of memory in use. ENERGY: 4896800 744.9292 2090.7941 1930.9066 113.0009 -206103.4856 17816.2780 0.0000 0.0000 33976.2397 -149431.3372 296.7230 -183407.5769 -149337.7669 298.5647 -32.1750 2.6112 558513.6457 2.4420 2.6657 PRESSURE: 4897000 -91.2809 125.304 5.2671 125.303 50.8343 -63.7538 5.2673 -63.7532 84.7355 GPRESSURE: 4897000 -105.163 228.09 -100.743 108.945 74.685 -138.748 -4.9961 -8.68931 168.441 PRESSAVG: 4897000 -6.98531 26.4371 -57.3764 26.4372 -52.087 -4.99252 -57.3764 -4.99249 31.6853 GPRESSAVG: 4897000 -7.21839 26.4659 -55.0445 25.822 -52.3401 -7.74289 -58.1388 -2.05362 31.9242 TIMING: 4897000 CPU: 14532.3, 0.00291428/step Wall: 14532.3, 0.00291428/step, 0.0833809 hours remaining, 210.328125 MB of memory in use. ENERGY: 4897000 755.8524 2060.8578 1939.6691 119.3741 -206327.2342 17778.8687 0.0000 0.0000 34099.6898 -149572.9224 297.8011 -183672.6122 -149474.6287 298.0344 14.7630 45.9879 557492.9419 -9.1290 -9.2114 PRESSURE: 4897200 -122.006 27.6073 76.8636 27.606 -50.4276 97.1979 76.8639 97.1979 -165.273 GPRESSURE: 4897200 -106.766 -20.1048 91.7852 102.637 7.19479 95.1671 120.626 115.366 -138.39 PRESSAVG: 4897200 -48.2429 51.4561 -20.2094 51.4561 -0.263568 17.6583 -20.2095 17.6582 16.104 GPRESSAVG: 4897200 -47.7406 50.899 -19.0285 50.4954 0.312357 20.5641 -22.8908 15.4788 15.5572 TIMING: 4897200 CPU: 14532.9, 0.00292041/step Wall: 14532.9, 0.00292041/step, 0.083394 hours remaining, 210.328125 MB of memory in use. ENERGY: 4897200 695.5119 2089.0316 1934.3401 112.2077 -206339.4917 17670.1352 0.0000 0.0000 34313.6453 -149524.6199 299.6696 -183838.2652 -149426.5660 298.2296 -112.5688 -79.3203 556650.0015 -10.8008 -10.6237 PRESSURE: 4897400 89.0004 -40.3755 -74.0729 -40.375 55.6376 92.2859 -74.0732 92.2866 -69.0925 GPRESSURE: 4897400 74.8346 68.6069 -60.4206 -75.8154 103.769 59.0329 -68.0232 59.4623 6.72675 PRESSAVG: 4897400 -69.1679 -4.44592 13.6865 -4.44595 41.8198 -18.2925 13.6864 -18.2926 33.287 GPRESSAVG: 4897400 -68.6818 -4.26517 14.0719 -3.07918 41.8833 -18.4264 13.3431 -17.3539 33.1296 TIMING: 4897400 CPU: 14533.5, 0.00294784/step Wall: 14533.5, 0.00294784/step, 0.0840135 hours remaining, 210.328125 MB of memory in use. ENERGY: 4897400 754.6765 2093.2601 1954.1488 116.6749 -206699.3420 18015.4206 0.0000 0.0000 34085.1036 -149680.0575 297.6737 -183765.1611 -149583.8745 298.2675 25.1818 61.7769 556385.2387 1.9797 2.1104 PRESSURE: 4897600 -40.9096 81.3782 71.7161 81.3778 244.926 -95.3831 71.7167 -95.3835 -22.1688 GPRESSURE: 4897600 -76.547 91.699 41.2301 -26.5933 334.051 -32.8135 120.847 -105.072 25.1971 PRESSAVG: 4897600 -29.6135 -29.4065 -23.2398 -29.4065 47.8392 19.679 -23.2397 19.679 17.414 GPRESSAVG: 4897600 -30.1341 -26.8863 -23.4931 -29.3674 47.7242 19.7295 -19.5847 17.9466 17.7017 TIMING: 4897600 CPU: 14534.1, 0.00293746/step Wall: 14534.1, 0.00293746/step, 0.0835543 hours remaining, 210.328125 MB of memory in use. ENERGY: 4897600 751.9201 2124.6447 1939.6571 108.7522 -206889.3469 18073.7464 0.0000 0.0000 34063.9240 -149826.7022 297.4887 -183890.6263 -149731.6147 297.7563 60.6159 94.2337 557048.4330 11.8799 11.7639 PRESSURE: 4897800 -271.432 -39.1412 50.6109 -39.141 -128.98 -77.0224 50.6114 -77.0214 -13.3158 GPRESSURE: 4897800 -250.917 30.0594 18.8706 -12.7416 -93.392 0.888846 48.7808 -70.1154 39.8311 PRESSAVG: 4897800 50.1912 -18.1983 30.34 -18.1982 3.19173 -58.693 30.34 -58.6931 -23.2204 GPRESSAVG: 4897800 50.1779 -20.2761 30.5005 -17.1164 2.60045 -57.5934 28.973 -57.1544 -22.2665 TIMING: 4897800 CPU: 14534.7, 0.00295242/step Wall: 14534.7, 0.00295242/step, 0.0838159 hours remaining, 210.328125 MB of memory in use. ENERGY: 4897800 801.8249 2132.2029 1897.1577 117.2358 -206685.6110 17700.7106 0.0000 0.0000 34254.2050 -149782.2742 299.1505 -184036.4792 -149684.7340 298.0611 -137.9092 -101.4926 556401.8206 10.0542 10.1706 PRESSURE: 4898000 -408.605 -49.0929 -52.9337 -49.0938 -54.6797 221.68 -52.934 221.68 -156.411 GPRESSURE: 4898000 -376.152 -52.4997 2.73201 -1.94798 -74.9765 254.593 -137.268 235.348 -55.1688 PRESSAVG: 4898000 -33.9721 -7.23676 26.0331 -7.23677 -26.1742 9.14189 26.0331 9.14194 34.0891 GPRESSAVG: 4898000 -32.4804 -8.19318 26.1065 -5.26028 -26.3175 7.09747 26.4825 9.54074 32.6367 TIMING: 4898000 CPU: 14535.3, 0.00296067/step Wall: 14535.3, 0.00296067/step, 0.0838856 hours remaining, 210.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4898000 765.6073 2099.4679 1928.4865 101.0801 -206263.1016 17676.3626 0.0000 0.0000 34084.8581 -149607.2390 297.6715 -183692.0971 -149502.7655 297.5111 -206.5652 -168.7657 557186.7374 -8.6857 -8.7204 PRESSURE: 4898200 -20.0221 92.072 73.2591 92.0715 109.487 35.775 73.2585 35.7753 24.3074 GPRESSURE: 4898200 11.985 56.9717 127.353 136.68 92.0273 77.9095 137.108 41.5777 100.252 PRESSAVG: 4898200 -0.546507 26.5713 -5.13664 26.5713 1.02055 6.6966 -5.13667 6.69665 -40.0827 GPRESSAVG: 4898200 -1.89455 27.531 -5.94086 23.2651 1.64026 7.94102 -4.15376 6.82576 -38.9983 TIMING: 4898200 CPU: 14535.9, 0.00294552/step Wall: 14535.9, 0.00294552/step, 0.0832928 hours remaining, 210.328125 MB of memory in use. ENERGY: 4898200 722.3477 2104.0230 1949.0891 118.5585 -206552.4903 17796.0708 0.0000 0.0000 34228.9898 -149633.4114 298.9303 -183862.4012 -149527.2896 297.5258 37.9240 68.0881 558047.5703 -13.2029 -13.0842 PRESSURE: 4898400 -151.595 32.3237 -77.2443 32.3242 -179.754 -53.396 -77.2438 -53.3961 -384.734 GPRESSURE: 4898400 -78.9955 19.8652 -110.019 78.1748 -146.6 -53.0012 -33.9703 -56.8113 -398.524 PRESSAVG: 4898400 -16.5257 -6.74712 -4.14645 -6.74719 41.3394 -6.75834 -4.14645 -6.75822 -11.8181 GPRESSAVG: 4898400 -16.7305 -7.34891 -2.62866 -5.82991 41.2478 -7.98325 -4.43216 -8.66941 -12.2072 TIMING: 4898400 CPU: 14536.4, 0.00293251/step Wall: 14536.4, 0.00293251/step, 0.0827619 hours remaining, 210.328125 MB of memory in use. ENERGY: 4898400 744.2586 2094.0824 1949.2444 110.5965 -206424.2823 17633.9873 0.0000 0.0000 34093.3662 -149798.7468 297.7458 -183892.1130 -149704.1507 297.9387 -238.6944 -208.0397 558502.1808 4.3319 4.1034 PRESSURE: 4898600 110.47 -121.256 5.85115 -121.256 295.776 -69.4911 5.85162 -69.4931 192.118 GPRESSURE: 4898600 150.557 -29.0467 -80.2077 -144.105 284.171 -34.6401 57.4443 -60.9246 256.696 PRESSAVG: 4898600 -46.936 -34.7919 -9.01695 -34.7919 31.5463 -23.4478 -9.01693 -23.4478 -18.3344 GPRESSAVG: 4898600 -46.8108 -37.2009 -11.3725 -33.283 31.5888 -22.2095 -7.58666 -20.712 -18.7366 TIMING: 4898600 CPU: 14537, 0.00297124/step Wall: 14537, 0.00297124/step, 0.0836898 hours remaining, 210.328125 MB of memory in use. ENERGY: 4898600 727.2831 2123.8541 1911.9248 107.9843 -207242.4788 18392.1660 0.0000 0.0000 34193.8517 -149785.4149 298.6234 -183979.2666 -149685.1910 297.9428 199.4549 230.4745 555956.9282 -11.2413 -11.3195 PRESSURE: 4898800 27.928 68.9731 2.44193 68.9728 -65.5344 -208.055 2.44164 -208.055 80.7334 GPRESSURE: 4898800 93.1745 47.5592 -25.4843 50.2782 -46.9697 -200.653 -20.4681 -213.041 89.7669 PRESSAVG: 4898800 -23.7219 -13.3344 4.16697 -13.3344 0.939755 -33.1085 4.16691 -33.1086 21.7077 GPRESSAVG: 4898800 -23.7234 -12.5039 5.61 -13.5848 1.00132 -34.1235 2.63468 -36.3494 21.9573 TIMING: 4898800 CPU: 14537.6, 0.00296487/step Wall: 14537.6, 0.00296487/step, 0.0833457 hours remaining, 210.328125 MB of memory in use. ENERGY: 4898800 721.2797 2152.0732 1912.5475 107.3567 -206527.0073 17890.2930 0.0000 0.0000 34140.6572 -149602.8000 298.1589 -183743.4572 -149503.8596 297.7093 14.3757 45.3239 556164.0018 -0.3582 -0.2549 PRESSURE: 4899000 -232.474 -40.5682 38.0933 -40.5695 -206.036 -211.693 38.0915 -211.692 -164.591 GPRESSURE: 4899000 -186.738 -61.4161 -11.2409 12.7186 -109.717 -224.165 -1.49858 -178.38 -194.828 PRESSAVG: 4899000 49.3666 -0.224025 10.388 -0.224071 59.0527 3.60084 10.388 3.60099 -95.3951 GPRESSAVG: 4899000 48.4106 -1.04069 10.1542 0.502609 59.5124 4.28135 11.0307 5.07007 -95.0979 TIMING: 4899000 CPU: 14538.2, 0.0029777/step Wall: 14538.2, 0.0029777/step, 0.083541 hours remaining, 210.328125 MB of memory in use. ENERGY: 4899000 736.7161 2137.2817 1936.9525 105.8113 -206213.8069 17557.2789 0.0000 0.0000 34085.3630 -149654.4033 297.6760 -183739.7664 -149556.1038 298.4516 -201.0336 -163.7609 558728.2629 4.3414 4.2750 PRESSURE: 4899200 20.1781 -32.3907 -3.44231 -32.3899 -232.028 103.797 -3.4419 103.799 -242.155 GPRESSURE: 4899200 14.5608 -57.6437 -76.5137 37.7212 -203.716 101.058 -9.58442 94.4918 -152.992 PRESSAVG: 4899200 -5.78743 4.55984 -41.0317 4.55967 59.3476 -6.23732 -41.0317 -6.23725 -36.2221 GPRESSAVG: 4899200 -5.87662 5.80313 -41.3987 3.96041 59.3954 -6.06424 -42.1714 -5.24033 -35.8263 TIMING: 4899200 CPU: 14538.8, 0.00298112/step Wall: 14538.8, 0.00298112/step, 0.0834715 hours remaining, 210.328125 MB of memory in use. ENERGY: 4899200 727.5840 2113.6415 1971.4132 105.2786 -206417.8077 17660.7648 0.0000 0.0000 34145.8962 -149693.2294 298.2046 -183839.1256 -149590.8562 297.8128 -151.3350 -114.0490 557706.2404 5.7794 5.8975 PRESSURE: 4899400 -267.24 -8.50599 -90.1238 -8.50584 -18.2777 14.4812 -90.1229 14.4811 -82.8693 GPRESSURE: 4899400 -233.351 55.2376 -119.113 56.5537 47.9322 65.4306 -32.5001 -30.7885 -85.0332 PRESSAVG: 4899400 -28.325 -29.5603 -8.28791 -29.5603 46.1797 35.4367 -8.28795 35.4367 -12.2159 GPRESSAVG: 4899400 -27.2116 -29.2632 -7.81215 -29.5668 46.0616 35.1116 -7.58502 34.1336 -13.4932 TIMING: 4899400 CPU: 14539.4, 0.00295275/step Wall: 14539.4, 0.00295275/step, 0.082513 hours remaining, 210.328125 MB of memory in use. ENERGY: 4899400 745.6108 2195.6615 1937.9596 116.6668 -206638.8854 17764.5558 0.0000 0.0000 34243.1834 -149635.2475 299.0542 -183878.4309 -149542.0369 297.9513 -122.7956 -90.1508 556076.9924 1.8796 1.7856 PRESSURE: 4899600 194.039 -0.628894 31.3936 -0.629033 -30.0181 76.2016 31.393 76.2026 -184.969 GPRESSURE: 4899600 222.751 -19.2014 63.5578 -9.39601 2.08925 74.9476 -43.0296 39.9755 -159.824 PRESSAVG: 4899600 -2.75489 -34.8437 48.8452 -34.8437 11.3468 44.9947 48.8452 44.9946 -3.62534 GPRESSAVG: 4899600 -2.67953 -36.737 49.3686 -34.8798 10.8528 45.7115 48.4692 44.9757 -2.55193 TIMING: 4899600 CPU: 14540, 0.00291896/step Wall: 14540, 0.00291896/step, 0.0814065 hours remaining, 210.328125 MB of memory in use. ENERGY: 4899600 760.0972 2117.3771 1937.0376 122.6823 -206732.8293 17968.7872 0.0000 0.0000 34223.2413 -149603.6066 298.8801 -183826.8479 -149511.4960 298.1719 -6.9826 21.6720 556143.5026 1.6555 1.8738 PRESSURE: 4899800 77.2501 52.1517 75.0925 52.1512 -59.9838 -53.4242 75.0918 -53.4243 235.035 GPRESSURE: 4899800 72.794 -9.96814 76.2737 55.465 9.05078 -60.0828 68.1979 -18.4297 269.314 PRESSAVG: 4899800 20.4933 32.6426 -28.5823 32.6426 -42.4143 -5.52177 -28.5823 -5.52184 26.5873 GPRESSAVG: 4899800 19.3792 33.742 -28.6849 32.8119 -40.2134 -4.56072 -30.4626 -4.86403 25.4247 TIMING: 4899800 CPU: 14540.6, 0.00293349/step Wall: 14540.6, 0.00293349/step, 0.0816489 hours remaining, 210.328125 MB of memory in use. ENERGY: 4899800 742.6679 2194.5986 1920.0254 115.0198 -206691.7019 18031.4835 0.0000 0.0000 33979.2155 -149708.6912 296.7489 -183687.9067 -149610.4289 298.1949 84.1006 117.0529 557247.2452 1.5554 1.5302 PRESSURE: 4900000 -127.038 -45.5381 -78.6311 -45.5384 -36.3787 -99.7011 -78.632 -99.701 -168.301 GPRESSURE: 4900000 -36.3521 -27.3387 -10.6373 -18.3382 -85.2135 -74.3729 -137.304 -139.159 -110.65 PRESSAVG: 4900000 -17.625 -5.77241 17.7203 -5.77244 -14.1648 17.5917 17.7201 17.5917 28.2393 GPRESSAVG: 4900000 -15.6172 -7.49265 17.1041 -4.32526 -16.6274 16.3424 20.4402 18.102 28.6884 TIMING: 4900000 CPU: 14541.2, 0.00295543/step Wall: 14541.2, 0.00295543/step, 0.0820953 hours remaining, 210.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4900000 753.0078 2133.0202 1933.5911 113.1931 -206620.8665 17834.5170 0.0000 0.0000 34223.0178 -149630.5196 298.8781 -183853.5374 -149531.6218 298.1912 -110.5726 -77.4051 557498.7950 -1.1835 -1.1854 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4900000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 4900000 WRITING COORDINATES TO RESTART FILE AT STEP 4900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4900200 164.42 23.0047 -89.1424 23.0046 -60.229 -150.317 -89.1437 -150.316 317.309 GPRESSURE: 4900200 203.615 -26.1748 -97.8131 2.25015 -40.2911 -174.073 -88.9426 31.0927 343.928 PRESSAVG: 4900200 15.8788 13.4644 -26.8264 13.4644 14.0785 -19.7985 -26.8264 -19.7986 -37.1701 GPRESSAVG: 4900200 15.8149 15.6005 -27.6648 10.9856 14.6881 -19.5105 -28.7508 -20.3758 -37.5762 TIMING: 4900200 CPU: 14541.8, 0.00303019/step Wall: 14541.8, 0.00303019/step, 0.0840036 hours remaining, 210.328125 MB of memory in use. ENERGY: 4900200 713.4055 2149.0429 1900.7369 118.4040 -206599.5725 17952.8200 0.0000 0.0000 34117.9149 -149647.2483 297.9602 -183765.1632 -149552.1941 297.9814 140.5001 169.0840 557120.6610 -2.4043 -2.3577 LDB: ============= START OF LOAD BALANCING ============== 14545.3 LDB: ============== END OF LOAD BALANCING =============== 14545.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14545.3 LDB: ============= START OF LOAD BALANCING ============== 14545.6 LDB: Largest compute 4801 load 0.022182 is 18.7% of average load 0.118335 LDB: Average compute 0.001715 is 1.4% of average load 0.118335 LDB: TIME 14545.6 LOAD: AVG 0.118335 MAX 0.197637 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.004 MB LDB: TIME 14545.6 LOAD: AVG 0.118335 MAX 0.197637 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.004 MB LDB: TIME 14545.6 LOAD: AVG 0.118335 MAX 0.197637 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.004 MB LDB: ============== END OF LOAD BALANCING =============== 14545.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14545.6 PRESSURE: 4900400 -23.199 20.973 -162.003 20.9729 -207.957 35.2331 -162.003 35.2319 157.316 GPRESSURE: 4900400 4.35748 -102.097 -173.275 40.5814 -138.485 -72.9591 -138.551 5.6223 155.319 PRESSAVG: 4900400 -6.85192 6.12038 -16.7055 6.1204 23.5918 -22.1588 -16.7055 -22.1588 2.58882 GPRESSAVG: 4900400 -7.11932 5.3357 -16.4668 7.66114 23.8328 -23.0594 -15.4144 -22.6957 2.76743 TIMING: 4900400 CPU: 14542.4, 0.00301981/step Wall: 14542.4, 0.00301981/step, 0.0835482 hours remaining, 208.207031 MB of memory in use. ENERGY: 4900400 700.6885 2152.9197 1893.3774 117.9769 -206662.8047 17952.6253 0.0000 0.0000 34226.6927 -149618.5243 298.9102 -183845.2170 -149518.6226 298.3281 -24.6133 7.0640 558342.0068 6.4429 6.4936 PRESSURE: 4900600 -99.6197 71.5561 -42.6481 71.5573 127.481 124.999 -42.6491 125 -173.094 GPRESSURE: 4900600 -81.8832 50.9771 -68.167 75.3605 150.364 142.946 -63.4903 78.3575 -109.226 PRESSAVG: 4900600 24.178 43.2501 1.88854 43.2501 -41.496 -6.03464 1.88866 -6.03455 -1.3388 GPRESSAVG: 4900600 23.9003 43.4212 0.485634 43.7303 -42.2721 -4.52137 2.11366 -6.28117 -0.213069 TIMING: 4900600 CPU: 14543, 0.00293455/step Wall: 14543, 0.00293455/step, 0.0810261 hours remaining, 208.207031 MB of memory in use. ENERGY: 4900600 706.1533 2078.7376 1932.2137 109.4218 -206483.3849 17849.6832 0.0000 0.0000 34359.0893 -149448.0859 300.0665 -183807.1752 -149350.0439 298.7691 -48.4110 -13.5817 556790.1335 -6.2189 -6.1950 PRESSURE: 4900800 -17.3111 -152.005 -120.411 -152.005 313.801 -88.5438 -120.41 -88.5436 48.8187 GPRESSURE: 4900800 13.2168 -173.278 -129.622 -32.9337 293.156 -54.4524 -109.785 -179.898 143.623 PRESSAVG: 4900800 56.7472 20.1809 -77.1754 20.181 -44.9285 1.90756 -77.1754 1.90745 57.1461 GPRESSAVG: 4900800 57.4058 18.9934 -74.4544 21.3188 -44.0202 0.186189 -77.5455 2.47838 56.0817 TIMING: 4900800 CPU: 14543.6, 0.00293528/step Wall: 14543.6, 0.00293528/step, 0.0808832 hours remaining, 208.207031 MB of memory in use. ENERGY: 4900800 740.6636 2070.0723 1945.0481 108.1783 -206893.3691 18185.6633 0.0000 0.0000 34307.2317 -149536.5117 299.6136 -183843.7434 -149438.2963 298.5814 115.1028 149.9984 556119.2043 22.9883 23.1558 PRESSURE: 4901000 -83.0561 36.7203 -150.704 36.7207 -180.634 11.5686 -150.704 11.568 22.5178 GPRESSURE: 4901000 -83.5065 -11.0647 -140.195 37.6447 -64.8924 -18.45 -137.609 0.41135 12.3767 PRESSAVG: 4901000 59.2216 -9.81895 6.44732 -9.81895 -47.3478 -5.48107 6.44737 -5.48095 13.4809 GPRESSAVG: 4901000 58.3454 -9.14534 4.4012 -10.9806 -47.2716 -3.42488 7.51878 -8.48668 13.7951 TIMING: 4901000 CPU: 14544.1, 0.00295767/step Wall: 14544.1, 0.00295767/step, 0.0813359 hours remaining, 208.207031 MB of memory in use. ENERGY: 4901000 748.3142 2056.9751 1933.1075 112.3694 -206151.2793 17579.3563 0.0000 0.0000 34318.7627 -149402.3942 299.7143 -183721.1568 -149307.1116 299.0412 -80.3907 -45.3407 556348.4508 8.4516 8.2896 PRESSURE: 4901200 -173.387 37.7115 -69.4671 37.7105 -95.8708 69.9541 -69.466 69.9529 -171.399 GPRESSURE: 4901200 -114.478 10.5328 -161.4 67.7058 -23.3666 64.6783 58.2858 86.82 -214.08 PRESSAVG: 4901200 -60.7564 -7.21813 -27.3262 -7.21812 77.144 -52.9636 -27.3261 -52.9636 -20.4877 GPRESSAVG: 4901200 -60.9668 -6.41576 -27.2912 -8.76084 76.5269 -53.4379 -27.4702 -50.2156 -19.7899 TIMING: 4901200 CPU: 14544.7, 0.00293549/step Wall: 14544.7, 0.00293549/step, 0.0805629 hours remaining, 208.207031 MB of memory in use. ENERGY: 4901200 765.6171 2073.2936 1925.6146 117.5649 -206137.5077 17678.2911 0.0000 0.0000 34182.7256 -149394.4009 298.5262 -183577.1265 -149299.6496 298.7101 -146.8856 -117.3082 557221.5848 -1.3667 -1.4100 PRESSURE: 4901400 -127.152 29.8936 -9.02242 29.894 -60.2856 3.46866 -9.02187 3.46921 258.079 GPRESSURE: 4901400 -89.1126 54.1687 26.888 38.3381 -13.8627 54.7053 -6.32233 22.8065 274.437 PRESSAVG: 4901400 -21.4538 41.1997 5.20548 41.1996 33.9649 26.9859 5.20545 26.9859 -11.9795 GPRESSAVG: 4901400 -21.5451 40.6396 7.38633 41.2792 35.047 25.8467 3.45389 29.958 -12.019 TIMING: 4901400 CPU: 14545.3, 0.00293169/step Wall: 14545.3, 0.00293169/step, 0.0802957 hours remaining, 208.207031 MB of memory in use. ENERGY: 4901400 760.7136 2072.0058 1940.0146 114.9544 -206338.7965 17966.1234 0.0000 0.0000 34115.8453 -149369.1393 297.9422 -183484.9846 -149270.8092 298.8400 23.5472 57.1537 556962.0308 0.1772 0.4943 PRESSURE: 4901600 170.197 26.5095 -16.7145 26.5088 -213.646 -28.616 -16.7143 -28.6142 261.261 GPRESSURE: 4901600 173.755 20.3678 -40.3868 43.8381 -124.695 -30.8082 -48.1747 -86.4835 249.625 PRESSAVG: 4901600 -2.45355 1.30245 -17.9632 1.30256 -34.4425 54.8704 -17.9632 54.8705 28.292 GPRESSAVG: 4901600 -1.93348 4.11557 -19.016 0.952475 -36.0545 54.2165 -18.6583 52.9737 28.6938 TIMING: 4901600 CPU: 14545.9, 0.00294955/step Wall: 14545.9, 0.00294955/step, 0.0806211 hours remaining, 208.207031 MB of memory in use. ENERGY: 4901600 774.1506 2090.3390 1948.4138 103.2266 -206373.5038 17979.2050 0.0000 0.0000 33983.7646 -149494.4042 296.7887 -183478.1688 -149396.2016 298.2625 72.6040 99.5617 558293.2715 -2.8680 -3.0981 PRESSURE: 4901800 -152.749 88.0898 66.4935 88.0894 184.965 68.5616 66.4939 68.5622 65.999 GPRESSURE: 4901800 -81.5982 -14.9757 113.59 107.102 173.186 14.272 109.836 67.1777 106.47 PRESSAVG: 4901800 -47.0919 -23.836 56.482 -23.836 -17.1601 4.1464 56.482 4.14641 27.5971 GPRESSAVG: 4901800 -47.2978 -24.5215 55.5618 -23.9138 -16.0968 4.2505 58.2646 4.84532 27.5551 TIMING: 4901800 CPU: 14546.5, 0.00292672/step Wall: 14546.5, 0.00292672/step, 0.0798345 hours remaining, 208.207031 MB of memory in use. ENERGY: 4901800 764.3527 2056.2768 1936.7287 112.0357 -206261.1337 17799.6395 0.0000 0.0000 34108.8125 -149483.2878 297.8807 -183592.1003 -149393.4526 298.2362 32.7382 66.0191 556818.3387 -12.2183 -11.9465 PRESSURE: 4902000 178.76 44.9793 -88.4448 44.9788 124.438 81.7929 -88.4449 81.7929 -161.584 GPRESSURE: 4902000 183.361 -7.77408 -73.8173 49.5961 190.755 36.3215 -111.76 41.8025 -139.981 PRESSAVG: 4902000 11.2181 -37.0373 40.9335 -37.0374 59.927 57.3834 40.9336 57.3834 -51.4335 GPRESSAVG: 4902000 11.9192 -40.7093 41.69 -36.1008 59.7572 56.9769 41.3425 56.055 -51.5194 TIMING: 4902000 CPU: 14547.1, 0.00293781/step Wall: 14547.1, 0.00293781/step, 0.0799736 hours remaining, 208.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4902000 763.5067 2113.5129 1916.3194 122.6592 -206359.3503 17775.3612 0.0000 0.0000 34222.0955 -149445.8955 298.8701 -183667.9910 -149354.2551 298.5046 47.2047 78.0448 556377.2051 6.5705 6.7190 PRESSURE: 4902200 42.3163 98.584 69.7538 98.5853 64.7648 -48.2545 69.7546 -48.2552 149.023 GPRESSURE: 4902200 40.4132 123.375 80.9488 2.0305 150.26 15.8354 21.3463 -54.4244 181.93 PRESSAVG: 4902200 6.73176 9.56893 -23.4002 9.56893 -20.5341 56.0348 -23.4002 56.0346 -0.387803 GPRESSAVG: 4902200 7.1791 13.2503 -22.9114 7.74102 -19.3466 58.4327 -24.1715 55.0599 -1.62013 TIMING: 4902200 CPU: 14547.7, 0.00292849/step Wall: 14547.7, 0.00292849/step, 0.0795573 hours remaining, 208.207031 MB of memory in use. ENERGY: 4902200 727.3747 2043.0670 1944.2592 110.1915 -206051.2220 17744.4815 0.0000 0.0000 34124.1169 -149357.7312 298.0144 -183481.8480 -149262.7089 298.0526 85.3679 124.2009 556461.9985 -4.7300 -4.5959 PRESSURE: 4902400 -46.3161 30.951 -37.769 30.951 18.8702 -24.0573 -37.7708 -24.0555 -110.959 GPRESSURE: 4902400 -30.2975 8.29566 -97.1519 -83.4512 69.6746 -68.4113 23.665 -13.8628 -84.3974 PRESSAVG: 4902400 -29.6964 38.232 -31.8647 38.2321 48.5269 -16.8663 -31.8646 -16.8663 39.0176 GPRESSAVG: 4902400 -30.302 36.2125 -31.1267 39.8403 48.8044 -16.9663 -32.3469 -15.2695 39.0608 TIMING: 4902400 CPU: 14548.3, 0.0029231/step Wall: 14548.3, 0.0029231/step, 0.0792484 hours remaining, 208.207031 MB of memory in use. ENERGY: 4902400 759.6133 2101.4845 1939.8615 118.7832 -206180.7740 17645.9875 0.0000 0.0000 34378.9749 -149236.0692 300.2401 -183615.0441 -149145.3281 299.3291 -46.1351 -15.0068 555561.7421 19.2827 19.1877 PRESSURE: 4902600 5.43924 -15.3907 98.479 -15.3892 -50.8496 -50.4974 98.4789 -50.4987 -114.025 GPRESSURE: 4902600 66.3981 -92.1543 32.2851 21.3197 -15.4177 -151.686 206.367 -44.18 -105.639 PRESSAVG: 4902600 43.8452 -47.0753 7.77673 -47.0753 -13.0132 -26.2558 7.77675 -26.2559 -28.0055 GPRESSAVG: 4902600 43.2047 -45.7027 6.58467 -46.9832 -12.6933 -26.4192 8.55838 -27.8482 -27.9285 TIMING: 4902600 CPU: 14548.8, 0.00292344/step Wall: 14548.8, 0.00292344/step, 0.0790952 hours remaining, 208.207031 MB of memory in use. ENERGY: 4902600 780.5186 2095.7500 1927.1383 117.1984 -206237.7831 17963.4065 0.0000 0.0000 34136.3194 -149217.4519 298.1210 -183353.7713 -149119.6417 299.5327 -53.1450 -18.2194 557129.0167 0.9421 0.8610 PRESSURE: 4902800 -239.65 113.816 -78.6571 113.817 -193.484 87.8128 -78.6558 87.8117 -278.418 GPRESSURE: 4902800 -230.571 83.2018 8.58962 73.5971 -145.658 94.453 -127.924 11.9222 -235.998 PRESSAVG: 4902800 -16.9707 -11.8398 -15.1773 -11.8398 19.0128 54.7537 -15.1774 54.7538 49.879 GPRESSAVG: 4902800 -17.0464 -11.5239 -15.4793 -11.1189 17.6535 52.672 -14.8902 54.2659 51.1954 TIMING: 4902800 CPU: 14549.4, 0.002929/step Wall: 14549.4, 0.002929/step, 0.0790831 hours remaining, 208.207031 MB of memory in use. ENERGY: 4902800 771.1120 2059.7726 1914.4093 123.8295 -206061.1600 17602.0705 0.0000 0.0000 34304.4758 -149285.4903 299.5895 -183589.9661 -149187.6364 299.0779 -237.1842 -204.0757 556778.5574 17.3070 17.2675 PRESSURE: 4903000 39.0187 100.133 -1.74108 100.133 34.3047 -136.717 -1.73988 -136.717 -196.336 GPRESSURE: 4903000 37.8204 72.1425 -52.6275 85.4883 36.4109 -175.116 -7.84056 -115.991 -99.0266 PRESSAVG: 4903000 -65.9147 5.67762 21.2493 5.67761 88.8204 55.1954 21.2493 55.1955 -18.8297 GPRESSAVG: 4903000 -65.7469 3.03564 23.1777 4.62693 88.021 57.9192 20.9657 54.3563 -18.0181 TIMING: 4903000 CPU: 14550, 0.00296348/step Wall: 14550, 0.00296348/step, 0.0798494 hours remaining, 208.207031 MB of memory in use. ENERGY: 4903000 785.3136 2087.6353 1907.0348 108.1042 -206410.8792 17888.1905 0.0000 0.0000 34178.8560 -149455.7447 298.4925 -183634.6007 -149359.3818 298.3374 -41.0042 -8.2651 557413.6392 1.3587 1.4187 PRESSURE: 4903200 123.912 -39.6271 136.182 -39.6286 -86.7173 159.973 136.182 159.974 -100.849 GPRESSURE: 4903200 148.568 -96.9501 101.233 -44.251 -25.7487 194.072 82.4435 134.624 -80.681 PRESSAVG: 4903200 -40.4486 -2.25328 12.1479 -2.25332 -28.5459 41.3828 12.1478 41.3828 21.07 GPRESSAVG: 4903200 -39.6422 -0.102034 10.8778 -3.43041 -27.7042 41.6673 14.9047 42.2328 19.3509 TIMING: 4903200 CPU: 14550.6, 0.00296355/step Wall: 14550.6, 0.00296355/step, 0.0796867 hours remaining, 208.207031 MB of memory in use. ENERGY: 4903200 777.4297 2063.2895 1938.0099 113.5914 -206828.3698 18041.6106 0.0000 0.0000 34245.9224 -149648.5163 299.0782 -183894.4387 -149560.9303 298.2051 -21.2179 14.0461 557697.6674 -15.9748 -15.9985 PRESSURE: 4903400 -211.746 -104.514 124.465 -104.513 -218.802 -110.397 124.465 -110.398 -62.3755 GPRESSURE: 4903400 -199.379 -81.8865 41.6168 -62.1167 -170.957 -8.47629 166.694 -239.101 -20.212 PRESSAVG: 4903400 8.87546 -37.7308 15.5574 -37.7309 -57.4214 -16.0161 15.5574 -16.0162 63.05 GPRESSAVG: 4903400 8.78715 -38.3082 15.3012 -35.433 -57.2846 -17.1848 14.1109 -15.4252 63.0244 TIMING: 4903400 CPU: 14551.2, 0.00292975/step Wall: 14551.2, 0.00292975/step, 0.0786149 hours remaining, 208.207031 MB of memory in use. ENERGY: 4903400 759.6306 2035.6113 1919.9558 118.7986 -206280.4664 17597.8155 0.0000 0.0000 33993.2219 -149855.4326 296.8713 -183848.6545 -149756.5406 297.2016 -164.3079 -130.1825 557187.7937 4.8347 4.8423 PRESSURE: 4903600 -180.969 68.0781 -13.6588 68.0773 -211.769 -3.89927 -13.6586 -3.89888 -101.253 GPRESSURE: 4903600 -143.2 47.2854 -28.8046 81.5493 -174.134 20.3991 22.3573 1.11736 -76.4484 PRESSAVG: 4903600 0.0535896 26.5108 53.2838 26.5107 -34.3845 3.11093 53.2838 3.11101 20.4253 GPRESSAVG: 4903600 -0.544885 25.735 54.5881 25.148 -33.9451 0.112525 52.614 4.61574 19.9798 TIMING: 4903600 CPU: 14551.8, 0.00294831/step Wall: 14551.8, 0.00294831/step, 0.0789492 hours remaining, 208.207031 MB of memory in use. ENERGY: 4903600 739.5532 1996.3345 1932.5252 115.0869 -206238.0677 17706.1883 0.0000 0.0000 33913.4600 -149834.9195 296.1747 -183748.3795 -149741.4577 296.9365 -164.6639 -131.2608 556619.5219 -4.6352 -4.8367 PRESSURE: 4903800 184.545 -93.6666 -34.2716 -93.6677 76.1321 -204.113 -34.2711 -204.112 -0.324042 GPRESSURE: 4903800 201.752 -79.2446 -3.61119 -63.5448 120.424 -123.319 -94.0052 -167.957 27.0745 PRESSAVG: 4903800 -6.55714 -0.989799 79.7395 -0.989783 19.1241 -62.8691 79.7395 -62.869 32.8458 GPRESSAVG: 4903800 -6.16603 -0.98693 78.9833 -0.595338 18.5744 -61.1977 80.0204 -63.936 32.5159 TIMING: 4903800 CPU: 14552.4, 0.00294325/step Wall: 14552.4, 0.00294325/step, 0.0786502 hours remaining, 208.207031 MB of memory in use. ENERGY: 4903800 686.8419 2073.0431 1891.4084 105.6362 -206534.4954 17881.1900 0.0000 0.0000 34111.1900 -149785.1859 297.9015 -183896.3759 -149685.0382 297.2456 86.7844 116.4169 556744.3094 15.1376 14.9748 PRESSURE: 4904000 -153.091 -113.47 -119.927 -113.47 -100.664 -157.509 -119.928 -157.506 -374.876 GPRESSURE: 4904000 -34.9497 -11.8523 -78.8477 -133.454 -131.363 -146.084 -97.49 -130.838 -356.879 PRESSAVG: 4904000 49.818 3.45717 -2.18399 3.45711 -34.3715 -26.7711 -2.18403 -26.7709 -2.34314 GPRESSAVG: 4904000 49.642 5.33112 -2.84782 2.07444 -34.6991 -25.5125 -0.986398 -25.1731 -1.55817 TIMING: 4904000 CPU: 14553, 0.00293583/step Wall: 14553, 0.00293583/step, 0.0782889 hours remaining, 208.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4904000 719.4861 2117.1797 1887.5937 102.7492 -206332.0149 17623.1647 0.0000 0.0000 34072.5038 -149809.3377 297.5637 -183881.8415 -149707.2734 297.6768 -209.5437 -174.3973 557009.8178 4.3678 4.4615 PRESSURE: 4904200 100.353 -4.3777 139.154 -4.37711 -32.424 -44.3215 139.153 -44.3206 -25.9931 GPRESSURE: 4904200 165.065 10.1366 140.179 -10.9586 -4.39852 18.7657 170.172 -14.5016 -25.3959 PRESSAVG: 4904200 43.9524 -32.9257 38.4231 -32.9257 -19.364 9.74949 38.4231 9.74949 -33.4041 GPRESSAVG: 4904200 44.4806 -32.4166 39.3482 -32.93 -19.435 8.61848 38.0147 8.05181 -34.039 TIMING: 4904200 CPU: 14553.5, 0.00293805/step Wall: 14553.5, 0.00293805/step, 0.0781849 hours remaining, 208.207031 MB of memory in use. ENERGY: 4904200 732.5578 2013.0792 1910.6217 111.8359 -206606.1347 17813.0309 0.0000 0.0000 34138.4314 -149886.5778 298.1394 -184025.0092 -149788.3684 297.5457 13.9788 45.0902 557332.7278 -2.9386 -2.9978 LDB: ============= START OF LOAD BALANCING ============== 14557.1 LDB: ============== END OF LOAD BALANCING =============== 14557.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14557.1 LDB: ============= START OF LOAD BALANCING ============== 14557.4 LDB: Largest compute 4801 load 0.021443 is 18.1% of average load 0.118251 LDB: Average compute 0.001718 is 1.5% of average load 0.118251 LDB: TIME 14557.4 LOAD: AVG 0.118251 MAX 0.196289 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.113 MB LDB: TIME 14557.4 LOAD: AVG 0.118251 MAX 0.196289 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.113 MB LDB: TIME 14557.4 LOAD: AVG 0.118251 MAX 0.196289 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.113 MB LDB: ============== END OF LOAD BALANCING =============== 14557.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14557.4 PRESSURE: 4904400 -198.828 -138.419 40.6497 -138.419 -511.488 -81.7158 40.6499 -81.7154 -335.84 GPRESSURE: 4904400 -178.652 -120.627 5.44839 -99.7177 -525.201 -151.679 -5.35581 -22.0369 -256.009 PRESSAVG: 4904400 -5.36288 -26.5068 6.79745 -26.5069 -5.41772 -20.4995 6.79746 -20.4995 16.289 GPRESSAVG: 4904400 -5.66747 -28.1222 5.9256 -26.2963 -6.05556 -19.319 6.87754 -19.9536 17.4157 TIMING: 4904400 CPU: 14554.1, 0.00299441/step Wall: 14554.1, 0.00299441/step, 0.0795182 hours remaining, 209.765625 MB of memory in use. ENERGY: 4904400 749.4397 2029.6687 1925.6964 112.3495 -206289.3906 17429.5697 0.0000 0.0000 34156.8190 -149885.8474 298.3000 -184042.6665 -149793.0886 297.2767 -348.7186 -319.9541 558076.3645 1.8361 1.8975 PRESSURE: 4904600 -29.2521 -88.1956 -42.3265 -88.1953 117.85 -35.0346 -42.3265 -35.0348 -354.495 GPRESSURE: 4904600 -0.218389 -77.8622 -48.4726 -172.592 194.345 32.3658 -105.501 -180.484 -354.131 PRESSAVG: 4904600 7.45401 -54.7862 15.4569 -54.7863 36.662 -65.176 15.457 -65.1759 -59.5509 GPRESSAVG: 4904600 7.09136 -53.1128 15.135 -55.0574 38.066 -65.5282 14.7715 -68.1232 -60.6118 TIMING: 4904600 CPU: 14554.7, 0.00291554/step Wall: 14554.7, 0.00291554/step, 0.0772619 hours remaining, 209.968750 MB of memory in use. ENERGY: 4904600 737.8129 1984.5094 1919.5397 107.5403 -206414.1119 17765.6298 0.0000 0.0000 34115.7421 -149783.3377 297.9413 -183899.0798 -149693.8751 297.2815 -88.6322 -53.3349 558191.3456 -5.1450 -5.1515 PRESSURE: 4904800 122.973 3.12052 -0.954429 3.12062 -122.084 140.173 -0.955781 140.172 -156.156 GPRESSURE: 4904800 122.634 33.7394 -41.3805 7.8674 -52.9256 114.863 -52.076 89.1312 -130.545 PRESSAVG: 4904800 -2.62494 -70.6696 -6.65166 -70.6697 71.0611 -2.09209 -6.65158 -2.09214 -55.8014 GPRESSAVG: 4904800 -2.56218 -72.3142 -5.75681 -70.6402 70.9874 -4.3947 -6.73048 2.88706 -55.6335 TIMING: 4904800 CPU: 14555.3, 0.00291459/step Wall: 14555.3, 0.00291459/step, 0.0770747 hours remaining, 209.968750 MB of memory in use. ENERGY: 4904800 708.1467 2043.6616 1920.3978 109.2407 -206270.0084 17669.4386 0.0000 0.0000 34186.3365 -149632.7864 298.5578 -183819.1229 -149536.2352 297.2654 -51.7555 -20.2790 556610.3804 4.2116 4.2639 PRESSURE: 4905000 -334.966 -76.7774 31.74 -76.7778 111.272 165.623 31.7418 165.624 -24.0417 GPRESSURE: 4905000 -285.753 -104.559 41.5222 -0.0483526 134.898 180.578 112.045 128.216 10.4325 PRESSAVG: 4905000 10.4077 -11.4594 -28.4816 -11.4594 19.216 -36.7256 -28.4816 -36.7257 -27.2407 GPRESSAVG: 4905000 10.0884 -13.0752 -29.3869 -10.2401 19.2387 -35.1641 -27.8343 -38.0115 -26.8884 TIMING: 4905000 CPU: 14555.9, 0.00294197/step Wall: 14555.9, 0.00294197/step, 0.0776353 hours remaining, 209.968750 MB of memory in use. ENERGY: 4905000 720.8338 2023.2010 1924.6644 115.5251 -206164.4138 17751.6091 0.0000 0.0000 34006.6415 -149621.9390 296.9885 -183628.5805 -149532.4906 298.1825 -82.5788 -46.8075 557395.4679 0.7943 0.8129 PRESSURE: 4905200 -323.593 11.3607 37.1825 11.3608 -330.297 36.6193 37.183 36.6181 -130.28 GPRESSURE: 4905200 -275.299 26.4569 55.1982 16.3614 -288.972 40.6955 7.03321 50.7371 -127.012 PRESSAVG: 4905200 8.73166 -13.1248 -9.05869 -13.1247 40.1038 -14.1792 -9.05859 -14.1792 -23.5957 GPRESSAVG: 4905200 8.62133 -12.0207 -9.14544 -13.943 40.7062 -14.1343 -9.53689 -14.2237 -23.9076 TIMING: 4905200 CPU: 14556.5, 0.00296394/step Wall: 14556.5, 0.00296394/step, 0.0780503 hours remaining, 209.968750 MB of memory in use. ENERGY: 4905200 740.6694 2033.7669 1922.0263 105.5787 -205624.4544 17351.2378 0.0000 0.0000 33966.6991 -149504.4762 296.6396 -183471.1753 -149413.7963 297.9638 -261.3901 -230.4277 557806.7647 8.4132 8.4733 PRESSURE: 4905400 -73.0332 -22.0896 23.865 -22.0905 96.1991 -49.5668 23.8651 -49.5669 288.03 GPRESSURE: 4905400 -4.92633 -25.4361 54.0912 -72.4374 156.105 -12.6025 6.1676 9.66946 249.79 PRESSAVG: 4905400 51.4413 29.4043 11.6462 29.4043 -63.0289 6.20366 11.6462 6.20368 5.47244 GPRESSAVG: 4905400 50.951 29.7706 11.1156 29.5957 -63.0049 5.98327 11.8982 5.4092 6.11904 TIMING: 4905400 CPU: 14557.1, 0.00295044/step Wall: 14557.1, 0.00295044/step, 0.077531 hours remaining, 209.968750 MB of memory in use. ENERGY: 4905400 736.5133 2017.0412 1923.8058 103.9467 -206409.5040 18018.4398 0.0000 0.0000 34126.0242 -149483.7331 298.0311 -183609.7573 -149388.0399 297.7529 103.7321 133.6561 557720.1971 -2.0384 -1.9783 PRESSURE: 4905600 165.749 -92.8103 -122.467 -92.8116 -9.85842 8.23998 -122.467 8.24055 136.225 GPRESSURE: 4905600 226.872 -74.733 -151.266 -81.8992 10.021 -101.356 -231.142 38.5114 158.043 PRESSAVG: 4905600 72.9541 -6.91961 3.87528 -6.91966 -79.4321 -25.4336 3.87522 -25.4337 47.5786 GPRESSAVG: 4905600 74.0475 -7.27079 6.58638 -6.32829 -79.3684 -24.8157 1.17004 -26.2017 46.9848 TIMING: 4905600 CPU: 14557.7, 0.0029354/step Wall: 14557.7, 0.0029354/step, 0.0769726 hours remaining, 209.968750 MB of memory in use. ENERGY: 4905600 760.2388 2087.2276 1902.4193 112.4982 -206738.8206 18132.2248 0.0000 0.0000 34289.9640 -149454.2480 299.4628 -183744.2120 -149360.9389 298.2436 97.3720 131.6452 558225.6130 13.7002 13.8880 PRESSURE: 4905800 -30.5758 -193.299 -10.9272 -193.298 128.561 73.3409 -10.9292 73.3393 -99.4859 GPRESSURE: 4905800 -31.8057 -161.705 -50.154 -214.608 163.767 64.053 57.5238 110.175 -27.2696 PRESSAVG: 4905800 16.7543 -23.0842 -20.3527 -23.0843 4.8214 -52.4864 -20.3528 -52.4865 -7.91546 GPRESSAVG: 4905800 16.7197 -23.3149 -23.0258 -22.3343 5.62393 -54.339 -18.7515 -49.9865 -8.31294 TIMING: 4905800 CPU: 14558.3, 0.00292246/step Wall: 14558.3, 0.00292246/step, 0.0764712 hours remaining, 209.968750 MB of memory in use. ENERGY: 4905800 777.9666 2081.3033 1907.9491 98.7645 -206393.4101 17976.3337 0.0000 0.0000 34169.3735 -149381.7194 298.4096 -183551.0929 -149280.9860 298.1702 -0.5001 34.8973 557874.9784 4.5534 4.6769 PRESSURE: 4906000 -45.5818 -42.287 49.7872 -42.2878 224.901 81.8253 49.7874 81.8259 203.504 GPRESSURE: 4906000 -15.4711 67.5217 19.7773 -79.144 268.777 41.6715 25.5127 45.063 227.242 PRESSAVG: 4906000 13.6964 -23.529 8.21429 -23.529 -5.14252 18.4201 8.2144 18.4201 -41.3682 GPRESSAVG: 4906000 14.6406 -23.0915 11.3039 -24.2999 -5.52787 20.8217 6.90341 16.0804 -42.1466 TIMING: 4906000 CPU: 14558.8, 0.00293652/step Wall: 14558.8, 0.00293652/step, 0.0766759 hours remaining, 209.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4906000 768.9958 2069.9457 1931.7592 112.2486 -206751.2487 18277.7420 0.0000 0.0000 34077.5875 -149512.9699 297.6080 -183590.5574 -149415.8390 298.1705 127.6078 160.1825 558382.4480 -10.9381 -11.0113 PRESSURE: 4906200 60.19 -39.2591 -96.74 -39.2576 -164.52 29.3673 -96.7398 29.3675 54.7178 GPRESSURE: 4906200 133.688 -57.1947 -187.324 -42.587 -139.624 37.2895 -33.2391 19.906 54.9702 PRESSAVG: 4906200 -5.6109 11.4768 -16.3455 11.4768 3.80187 38.4712 -16.3454 38.4713 -23.4011 GPRESSAVG: 4906200 -5.46135 10.5071 -20.389 13.0944 4.01361 35.8141 -11.3335 40.3485 -24.102 TIMING: 4906200 CPU: 14559.4, 0.0029212/step Wall: 14559.4, 0.0029212/step, 0.0761135 hours remaining, 209.968750 MB of memory in use. ENERGY: 4906200 758.8447 2071.0421 1900.2433 111.4302 -206582.3395 17825.9620 0.0000 0.0000 34463.8534 -149450.9638 300.9814 -183914.8172 -149347.9060 298.4980 -16.5376 16.3447 557994.7390 -8.4034 -8.5166 PRESSURE: 4906400 -47.136 -147.833 -14.9856 -147.833 -8.79488 -53.3429 -14.9868 -53.3443 -182.811 GPRESSURE: 4906400 -28.4302 -130.422 -59.8921 -132.658 37.7532 -86.7773 -19.9529 -119.1 -153.744 PRESSAVG: 4906400 26.6483 5.21921 -35.2101 5.21918 10.7122 -0.22613 -35.2102 -0.226151 -27.8693 GPRESSAVG: 4906400 25.6445 5.74056 -33.5545 4.13941 10.4871 2.11895 -35.4719 -1.63806 -26.6263 TIMING: 4906400 CPU: 14560, 0.00293109/step Wall: 14560, 0.00293109/step, 0.0762084 hours remaining, 209.968750 MB of memory in use. ENERGY: 4906400 742.0901 2063.0009 1954.0277 120.5526 -206110.7674 17726.2067 0.0000 0.0000 33900.5178 -149604.3715 296.0617 -183504.8893 -149514.5394 298.5184 -79.5808 -48.1402 558246.7448 3.1637 3.1684 PRESSURE: 4906600 -218.024 27.6381 -110.549 27.6392 -184.215 -43.6691 -110.549 -43.6697 -256.087 GPRESSURE: 4906600 -149.289 0.625895 -45.2266 13.5999 -170.002 -66.1936 -118.217 -20.8649 -231.089 PRESSAVG: 4906600 12.4839 8.44601 -9.47261 8.44607 10.9579 18.4097 -9.47256 18.4099 -46.7466 GPRESSAVG: 4906600 12.881 6.92386 -9.0615 8.92252 9.79698 16.8872 -12.0766 18.6509 -45.8995 TIMING: 4906600 CPU: 14560.6, 0.00290923/step Wall: 14560.6, 0.00290923/step, 0.0754784 hours remaining, 209.968750 MB of memory in use. ENERGY: 4906600 744.5658 2059.4647 1956.0028 113.4781 -205796.3219 17223.2807 0.0000 0.0000 34191.0757 -149508.4541 298.5992 -183699.5298 -149410.0741 298.4223 -219.4421 -183.4599 557207.3319 -7.7683 -7.7405 PRESSURE: 4906800 -54.8801 -14.581 -49.6002 -14.5804 113.484 104.328 -49.5995 104.329 -135.812 GPRESSURE: 4906800 35.5251 -48.918 -43.2385 23.0559 113.1 63.9357 -45.6305 154.443 -113.605 PRESSAVG: 4906800 55.6084 -15.8206 0.291642 -15.8207 9.80967 -9.85756 0.291596 -9.85752 -87.0237 GPRESSAVG: 4906800 55.3927 -14.5027 0.452343 -16.417 11.6002 -8.87325 1.47367 -8.96446 -88.0373 TIMING: 4906800 CPU: 14561.2, 0.00292956/step Wall: 14561.2, 0.00292956/step, 0.0758431 hours remaining, 209.968750 MB of memory in use. ENERGY: 4906800 781.4445 2128.1313 1932.0580 112.2404 -206470.6756 17906.3379 0.0000 0.0000 34212.9499 -149397.5135 298.7902 -183610.4634 -149305.2102 298.9138 -25.7361 11.6733 557228.2788 -7.2019 -7.0148 PRESSURE: 4907000 -92.0481 104.016 -290.502 104.015 36.2194 61.2331 -290.502 61.234 -169.053 GPRESSURE: 4907000 -60.5939 101.167 -352.945 131.518 41.4895 -24.734 -198.457 92.4785 -120.856 PRESSAVG: 4907000 -100.821 66.1549 -59.445 66.1548 60.6946 -90.939 -59.445 -90.939 32.4194 GPRESSAVG: 4907000 -99.5305 67.4967 -60.5275 66.5795 60.5041 -91.1611 -59.379 -91.2798 30.7079 TIMING: 4907000 CPU: 14561.8, 0.002948/step Wall: 14561.8, 0.002948/step, 0.0761566 hours remaining, 209.968750 MB of memory in use. ENERGY: 4907000 719.5217 2107.7552 1928.3836 95.3988 -205913.1699 17657.3563 0.0000 0.0000 33965.0154 -149439.7389 296.6249 -183404.7543 -149344.1457 298.2333 -74.9605 -46.6535 559109.1292 -2.5689 -2.7728 PRESSURE: 4907200 128.699 -109.741 48.7641 -109.74 136.584 -107.751 48.7634 -107.752 98.3871 GPRESSURE: 4907200 167.635 -87.9799 128.244 -99.429 189.934 -160.525 62.8853 26.8763 98.247 PRESSAVG: 4907200 37.6003 17.8694 -47.7598 17.8693 10.887 -26.13 -47.7598 -26.1298 -28.2603 GPRESSAVG: 4907200 36.6557 16.2516 -45.7906 20.4068 10.5359 -24.1802 -47.7161 -27.1482 -27.297 TIMING: 4907200 CPU: 14562.4, 0.00292957/step Wall: 14562.4, 0.00292957/step, 0.0755178 hours remaining, 209.968750 MB of memory in use. ENERGY: 4907200 725.5589 2105.2173 1952.2000 113.5923 -206629.5038 17932.1822 0.0000 0.0000 34273.3320 -149527.4211 299.3175 -183800.7530 -149431.2589 298.0361 121.2236 151.9385 557238.2940 6.7423 6.6315 PRESSURE: 4907400 -55.3874 44.1341 100.689 44.134 -23.4956 -193.285 100.689 -193.286 7.65583 GPRESSURE: 4907400 -26.86 77.4727 183.041 -10.1143 16.6035 -93.1095 -22.3551 -187.444 35.8256 PRESSAVG: 4907400 -33.789 -21.0674 -17.1851 -21.0673 10.8077 -19.8571 -17.1851 -19.857 9.48795 GPRESSAVG: 4907400 -33.9559 -19.609 -18.431 -22.4687 10.9389 -23.6776 -16.2346 -18.2033 9.32342 TIMING: 4907400 CPU: 14562.9, 0.00292872/step Wall: 14562.9, 0.00292872/step, 0.0753331 hours remaining, 209.968750 MB of memory in use. ENERGY: 4907400 726.2178 2095.6689 1926.3888 120.1205 -206389.7394 17886.4709 0.0000 0.0000 34227.3425 -149407.5301 298.9159 -183634.8725 -149308.1297 298.3879 -23.7424 8.5230 557344.9663 -4.4978 -4.5645 PRESSURE: 4907600 -165.962 93.7265 86.1461 93.7273 -63.3142 40.4537 86.1465 40.4546 -308.959 GPRESSURE: 4907600 -167.466 159.379 5.77197 101.737 13.0166 40.5373 128.392 46.1913 -289.891 PRESSAVG: 4907600 -59.0429 -67.9715 35.9789 -67.9715 26.9344 -18.0985 35.9788 -18.0983 -3.66952 GPRESSAVG: 4907600 -59.7469 -69.0356 35.9458 -69.3255 27.9326 -16.1468 34.8018 -18.2232 -4.10151 TIMING: 4907600 CPU: 14563.5, 0.00292686/step Wall: 14563.5, 0.00292686/step, 0.0751228 hours remaining, 209.968750 MB of memory in use. ENERGY: 4907600 755.5289 2075.7876 1926.2911 107.7780 -206064.0040 17690.5229 0.0000 0.0000 34234.9789 -149273.1167 298.9826 -183508.0956 -149172.7426 299.2120 -179.4115 -148.1132 558399.6967 -11.9260 -11.9719 PRESSURE: 4907800 329.022 -218.434 79.1593 -218.434 -14.5639 106.315 79.1586 106.314 106.873 GPRESSURE: 4907800 382.382 -217.709 117.902 -233.512 32.7944 71.4574 -29.7515 102.055 107.092 PRESSAVG: 4907800 -41.5199 -23.723 47.3346 -23.723 10.1078 71.3388 47.3346 71.3386 3.93037 GPRESSAVG: 4907800 -41.7706 -23.6578 47.5926 -24.6681 9.55971 72.8612 47.9664 71.7435 4.122 TIMING: 4907800 CPU: 14564.1, 0.00292207/step Wall: 14564.1, 0.00292207/step, 0.0748373 hours remaining, 209.968750 MB of memory in use. ENERGY: 4907800 706.1694 2092.2521 1918.1221 124.9762 -206529.6288 17772.7867 0.0000 0.0000 34332.4171 -149582.9052 299.8335 -183915.3223 -149492.5358 299.0400 140.4438 174.0894 555411.4652 -9.1606 -9.3629 PRESSURE: 4908000 152.866 -43.3085 173.184 -43.3075 274.912 -225.524 173.186 -225.523 353.19 GPRESSURE: 4908000 171.431 13.3367 219.402 2.44278 316.832 -197.423 131.805 -221.366 372.606 PRESSAVG: 4908000 17.7115 -37.5756 5.58238 -37.5756 -48.1606 -65.3328 5.58243 -65.3329 12.8598 GPRESSAVG: 4908000 18.506 -36.8978 4.98871 -36.4012 -48.3228 -66.0978 5.959 -66.8005 12.3447 TIMING: 4908000 CPU: 14564.7, 0.00292961/step Wall: 14564.7, 0.00292961/step, 0.0748678 hours remaining, 209.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4908000 776.5502 2067.6146 1925.9657 114.5693 -206735.0471 18444.7324 0.0000 0.0000 33896.0823 -149509.5325 296.0229 -183405.6148 -149413.1082 297.9702 260.3225 286.9563 555574.7967 -5.8631 -5.8240 PRESSURE: 4908200 126.064 -66.7294 55.0084 -66.7302 47.7326 -114.003 55.0088 -114.002 -21.6467 GPRESSURE: 4908200 148.291 -44.1134 -10.5538 -95.5677 87.5705 -103.274 82.2882 -116.942 7.38099 PRESSAVG: 4908200 -38.3308 -37.1737 -12.6199 -37.1738 3.06272 -4.04489 -12.6199 -4.04483 39.7543 GPRESSAVG: 4908200 -38.7072 -37.0073 -12.7391 -35.939 2.2639 -4.88487 -12.0023 -3.42209 41.037 TIMING: 4908200 CPU: 14565.3, 0.00296249/step Wall: 14565.3, 0.00296249/step, 0.0755435 hours remaining, 209.968750 MB of memory in use. ENERGY: 4908200 738.3579 2097.3856 1935.9521 102.7231 -206635.8470 17996.2855 0.0000 0.0000 34345.7112 -149419.4316 299.9496 -183765.1428 -149316.5233 298.8415 50.7168 81.0809 556174.1917 1.4954 1.5312 LDB: ============= START OF LOAD BALANCING ============== 14568.8 LDB: ============== END OF LOAD BALANCING =============== 14568.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14568.8 LDB: ============= START OF LOAD BALANCING ============== 14569.1 LDB: Largest compute 4801 load 0.022091 is 18.7% of average load 0.118384 LDB: Average compute 0.001710 is 1.4% of average load 0.118384 LDB: TIME 14569.1 LOAD: AVG 0.118384 MAX 0.196846 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.254 MB LDB: TIME 14569.1 LOAD: AVG 0.118384 MAX 0.196846 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: TIME 14569.1 LOAD: AVG 0.118384 MAX 0.196846 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.258 MB LDB: ============== END OF LOAD BALANCING =============== 14569.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14569.1 PRESSURE: 4908400 199.979 -91.9275 5.684 -91.9285 -176.066 187.786 5.68276 187.784 88.8464 GPRESSURE: 4908400 175.512 -204.941 3.5248 -52.4945 -122.367 216.014 -9.10656 181.992 148.609 PRESSAVG: 4908400 20.7502 -65.8822 -22.6925 -65.8822 -43.1326 0.0822354 -22.6925 0.0821911 36.976 GPRESSAVG: 4908400 20.6312 -67.355 -22.0934 -67.0515 -42.5638 -0.500577 -21.9051 0.0667343 36.9234 TIMING: 4908400 CPU: 14565.9, 0.00298255/step Wall: 14565.9, 0.00298255/step, 0.0758893 hours remaining, 209.320312 MB of memory in use. ENERGY: 4908400 703.1102 2083.8914 1933.5200 105.8704 -206246.2425 17711.4603 0.0000 0.0000 34129.5831 -149578.8071 298.0621 -183708.3902 -149486.2707 298.8774 37.5864 67.2513 555474.4798 4.8646 4.9970 PRESSURE: 4908600 17.1618 -175.886 -39.6553 -175.887 120.605 32.4962 -39.6565 32.4948 -142.54 GPRESSURE: 4908600 -7.96579 -131.616 -21.6176 -276.78 162.08 90.4785 -57.8336 -2.18247 -66.8269 PRESSAVG: 4908600 -35.3861 -56.2833 60.8894 -56.2834 66.5627 60.6014 60.8894 60.6015 9.27523 GPRESSAVG: 4908600 -36.1814 -54.5649 60.6994 -56.1932 66.8472 61.9587 59.3674 58.0575 9.99679 TIMING: 4908600 CPU: 14566.5, 0.00290536/step Wall: 14566.5, 0.00290537/step, 0.073764 hours remaining, 209.578125 MB of memory in use. ENERGY: 4908600 731.6802 2045.3223 1929.7367 108.2254 -206219.7639 17745.3077 0.0000 0.0000 34121.0597 -149538.4319 297.9877 -183659.4917 -149446.9063 298.5318 -1.5910 29.0957 556047.8102 13.4839 13.5542 PRESSURE: 4908800 -226.316 -94.0523 147.737 -94.0494 -16.2607 52.1734 147.738 52.1724 -79.0772 GPRESSURE: 4908800 -184.482 -70.2987 236.493 -48.5044 6.49857 5.35084 112.312 43.0512 -33.9876 PRESSAVG: 4908800 -2.49883 -39.1264 -24.4143 -39.1264 51.3375 -10.851 -24.4143 -10.8511 -30.584 GPRESSAVG: 4908800 -0.68116 -39.0774 -25.2799 -39.8584 49.5313 -9.95877 -23.6945 -7.72619 -30.7766 TIMING: 4908800 CPU: 14567.1, 0.00292818/step Wall: 14567.1, 0.00292818/step, 0.0741805 hours remaining, 209.578125 MB of memory in use. ENERGY: 4908800 728.3131 2125.6783 1931.9169 110.2645 -206108.1149 17692.7348 0.0000 0.0000 34069.8357 -149449.3715 297.5403 -183519.2072 -149357.9217 298.7973 -107.2180 -70.6570 557489.1695 6.0849 6.0245 PRESSURE: 4909000 -70.1186 149.678 -4.73084 149.678 -130.912 78.8095 -4.73047 78.8098 -182.807 GPRESSURE: 4909000 -50.9351 190.68 2.68696 57.8139 -142.769 56.0341 -30.0438 25.264 -114.964 PRESSAVG: 4909000 -104.554 -45.1414 45.8602 -45.1414 63.5591 56.0149 45.8603 56.0147 0.296713 GPRESSAVG: 4909000 -106.763 -46.9947 46.1913 -43.8352 65.32 54.0056 47.607 54.5567 0.786563 TIMING: 4909000 CPU: 14567.6, 0.00293147/step Wall: 14567.6, 0.00293147/step, 0.0741009 hours remaining, 209.578125 MB of memory in use. ENERGY: 4909000 762.2473 2047.2355 1904.7825 111.1474 -206389.4959 17753.6262 0.0000 0.0000 34135.1839 -149675.2730 298.1111 -183810.4570 -149580.8192 298.4669 -127.9458 -102.8894 557515.9468 -13.5661 -13.5521 PRESSURE: 4909200 -23.9433 -6.16927 44.3669 -6.16925 -169.923 77.3882 44.366 77.3861 -299.7 GPRESSURE: 4909200 -50.1065 -59.7209 72.8424 22.0197 -126.508 49.4282 93.9206 44.9845 -228.163 PRESSAVG: 4909200 -24.8468 -128.163 18.127 -128.163 1.75642 10.4986 18.1271 10.4985 -18.5429 GPRESSAVG: 4909200 -22.8219 -128.146 18.0966 -127.344 2.00631 8.86221 17.2739 11.6318 -20.0711 TIMING: 4909200 CPU: 14568.2, 0.00294083/step Wall: 14568.2, 0.00294083/step, 0.0741742 hours remaining, 209.578125 MB of memory in use. ENERGY: 4909200 709.4826 2047.5248 1923.6748 96.6442 -206189.2901 17658.0918 0.0000 0.0000 34082.4013 -149671.4705 297.6501 -183753.8718 -149574.4250 297.4713 -164.5223 -134.9258 557681.9865 -13.8778 -13.6289 PRESSURE: 4909400 -125.663 -113.767 40.8971 -113.767 307.816 112.049 40.8975 112.048 -241.796 GPRESSURE: 4909400 -77.1182 -24.7402 -33.8303 -105.23 300.328 129.227 48.4904 143.503 -184.458 PRESSAVG: 4909400 -10.9306 -14.4345 16.5081 -14.4346 42.4836 -27.0728 16.5081 -27.0727 -27.2951 GPRESSAVG: 4909400 -11.5757 -14.8788 16.7349 -14.1146 42.2743 -25.0145 18.0905 -28.0214 -26.9358 TIMING: 4909400 CPU: 14568.8, 0.00294217/step Wall: 14568.8, 0.00294217/step, 0.0740445 hours remaining, 209.578125 MB of memory in use. ENERGY: 4909400 740.3931 2029.1523 1934.7193 106.0086 -206525.0098 17886.1426 0.0000 0.0000 34244.6426 -149583.9514 299.0670 -183828.5940 -149486.3811 297.3504 -19.8810 12.9174 557218.5854 1.4193 1.2543 PRESSURE: 4909600 -38.0294 -11.1339 40.3147 -11.1342 -76.9605 52.6528 40.3128 52.6524 -32.7377 GPRESSURE: 4909600 2.68565 -38.9942 67.1595 -49.463 -23.6397 30.0673 82.0338 59.9147 -28.9105 PRESSAVG: 4909600 -40.7866 31.186 -13.6841 31.186 48.9545 6.39944 -13.6841 6.39949 -48.9931 GPRESSAVG: 4909600 -40.2492 32.8513 -12.9734 28.5253 48.7798 6.27773 -16.7288 6.61975 -49.0402 TIMING: 4909600 CPU: 14569.4, 0.00292441/step Wall: 14569.4, 0.00292441/step, 0.0734352 hours remaining, 209.578125 MB of memory in use. ENERGY: 4909600 743.7373 2071.7313 1911.8038 109.5980 -206474.9467 17783.4206 0.0000 0.0000 34079.5594 -149775.0964 297.6253 -183854.6558 -149679.7180 298.1143 -49.2425 -16.6215 557114.5818 -13.6084 -13.5032 PRESSURE: 4909800 -56.3143 25.2946 -117.392 25.2943 -92.1044 2.44409 -117.392 2.44528 128.247 GPRESSURE: 4909800 -34.5396 -48.5912 -126.049 36.244 -54.1456 20.9721 -146.418 10.4692 154.038 PRESSAVG: 4909800 14.2696 28.5067 -1.35515 28.5067 1.01107 -42.9649 -1.35522 -42.9648 -52.642 GPRESSAVG: 4909800 12.8094 26.9587 -2.49658 30.3383 0.735632 -43.5326 -0.431668 -43.4898 -51.6954 TIMING: 4909800 CPU: 14570, 0.00295047/step Wall: 14570, 0.00295047/step, 0.0739256 hours remaining, 209.839844 MB of memory in use. ENERGY: 4909800 712.7138 2049.8669 1919.0019 100.4505 -206469.0135 17721.8505 0.0000 0.0000 34320.6378 -149644.4920 299.7307 -183965.1298 -149549.9990 298.1359 -6.7239 21.7841 556521.9405 -12.4538 -12.7168 PRESSURE: 4910000 27.9059 -230.879 -110.945 -230.879 67.1333 31.4706 -110.945 31.47 -246.605 GPRESSURE: 4910000 27.7018 -205.277 -112.861 -170.674 109.349 54.1619 -152.873 8.24599 -191.488 PRESSAVG: 4910000 13.7271 -33.5068 14.8468 -33.5068 -20.8299 6.16533 14.8467 6.16532 21.1491 GPRESSAVG: 4910000 13.9938 -32.2535 15.3483 -34.2364 -21.343 7.34697 13.3288 4.84526 20.8933 TIMING: 4910000 CPU: 14570.6, 0.00293468/step Wall: 14570.6, 0.00293468/step, 0.0733669 hours remaining, 209.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4910000 733.3114 2124.5174 1921.0129 108.4048 -206192.2526 17504.1550 0.0000 0.0000 34168.9076 -149631.9436 298.4056 -183800.8511 -149536.4833 298.1619 -50.5219 -18.1456 555642.2085 4.6821 4.5147 PRESSURE: 4910200 -55.3294 -68.2344 -118.866 -68.2346 -122.497 144.134 -118.865 144.132 66.1528 GPRESSURE: 4910200 -64.3663 -29.0091 -124.138 -59.2329 -130.982 119.966 -24.684 209.418 184.603 PRESSAVG: 4910200 21.3916 -14.2275 43.3155 -14.2277 -4.534 18.0215 43.3155 18.0216 0.446704 GPRESSAVG: 4910200 21.0641 -13.6172 44.5492 -14.7711 -5.18832 17.8087 44.0801 19.615 1.18989 TIMING: 4910200 CPU: 14571.2, 0.00293612/step Wall: 14571.2, 0.00293612/step, 0.07324 hours remaining, 209.847656 MB of memory in use. ENERGY: 4910200 714.1924 2081.5211 1950.5300 106.5941 -206161.8140 17578.1941 0.0000 0.0000 34272.1646 -149458.6176 299.3073 -183730.7822 -149362.5250 298.6179 -37.2244 -3.5817 555320.0518 5.7681 5.6885 PRESSURE: 4910400 -183.151 115.206 14.4567 115.206 -87.2482 151.91 14.4555 151.909 -207.891 GPRESSURE: 4910400 -125.647 13.3994 18.6817 141.205 -114.571 196.083 15.989 50.5504 -136.013 PRESSAVG: 4910400 -64.0497 -31.9109 2.32358 -31.911 -8.25 20.3372 2.32361 20.3372 30.9555 GPRESSAVG: 4910400 -64.5043 -32.2943 1.17001 -30.8911 -6.60634 20.3694 4.33405 20.5294 29.5312 TIMING: 4910400 CPU: 14571.7, 0.00292454/step Wall: 14571.7, 0.00292454/step, 0.0727886 hours remaining, 209.847656 MB of memory in use. ENERGY: 4910400 701.2548 2043.8362 1934.5258 120.4848 -205804.5484 17428.4127 0.0000 0.0000 34102.9831 -149473.0510 297.8298 -183576.0341 -149371.8652 298.2802 -159.4302 -125.4102 557291.4405 -13.7814 -13.8598 PRESSURE: 4910600 -4.63666 -31.4664 -65.0445 -31.467 -74.0304 -55.4817 -65.0448 -55.4835 71.7854 GPRESSURE: 4910600 -38.865 -19.3669 -141.175 -23.931 29.4898 -30.0904 -43.6046 -74.8942 104.249 PRESSAVG: 4910600 9.13133 16.8275 -24.5587 16.8275 -21.7349 70.1139 -24.5588 70.1138 22.8325 GPRESSAVG: 4910600 9.75539 16.4081 -22.399 18.4392 -23.0907 68.9466 -28.291 70.3158 23.4624 TIMING: 4910600 CPU: 14572.3, 0.00295823/step Wall: 14572.3, 0.00295823/step, 0.0734628 hours remaining, 209.847656 MB of memory in use. ENERGY: 4910600 710.4166 2073.3325 1926.4632 102.5052 -206688.8626 17912.8137 0.0000 0.0000 34372.7158 -149590.6157 300.1855 -183963.3315 -149501.6804 298.6375 -2.2939 31.6246 556460.7821 3.4096 3.3757 PRESSURE: 4910800 235.284 -2.47648 89.1978 -2.47526 288.087 -18.707 89.1985 -18.7065 71.9619 GPRESSURE: 4910800 271.879 -35.3563 93.709 0.771606 310.306 23.0431 96.5553 -48.3661 110.429 PRESSAVG: 4910800 -1.18918 4.12684 -18.9627 4.12683 7.11111 15.9061 -18.9628 15.9062 20.3658 GPRESSAVG: 4910800 -2.22396 3.61843 -20.6467 1.19886 7.03637 15.8414 -16.832 14.1011 21.2039 TIMING: 4910800 CPU: 14572.9, 0.00295769/step Wall: 14572.9, 0.00295769/step, 0.0732851 hours remaining, 209.847656 MB of memory in use. ENERGY: 4910800 711.0682 2092.1977 1949.8535 109.3659 -206857.1816 18147.4624 0.0000 0.0000 34233.6228 -149613.6111 298.9707 -183847.2339 -149516.8336 298.3812 198.4442 230.8713 555830.5366 8.7626 8.6721 PRESSURE: 4911000 -99.9682 -43.19 -208.928 -43.1897 -128.757 -29.7939 -208.928 -29.7955 120.383 GPRESSURE: 4911000 -22.7734 -29.0396 -210.751 -10.4294 -73.8207 -22.1682 -258.538 39.5305 93.1284 PRESSAVG: 4911000 9.52498 5.82258 -21.499 5.82252 -13.4975 35.1328 -21.4989 35.1328 29.5189 GPRESSAVG: 4911000 9.82826 7.75391 -20.8454 5.31494 -13.0866 37.076 -22.5202 36.7743 29.0288 TIMING: 4911000 CPU: 14573.5, 0.00296278/step Wall: 14573.5, 0.00296278/step, 0.0732465 hours remaining, 209.847656 MB of memory in use. ENERGY: 4911000 728.1178 2002.5229 1948.2283 116.8409 -206047.0928 17595.7761 0.0000 0.0000 34237.2353 -149418.3714 299.0023 -183655.6068 -149320.1789 298.6855 -36.1140 -1.1552 555365.8800 8.5154 8.5902 PRESSURE: 4911200 -27.9255 -72.1545 -29.7737 -72.1538 -82.4061 -85.6633 -29.7746 -85.6634 -171.67 GPRESSURE: 4911200 11.0146 -45.2818 46.4888 -56.4369 -37.3716 -77.944 -60.293 -171.064 -150.025 PRESSAVG: 4911200 -13.8376 14.1488 -29.024 14.1488 -32.7628 35.6023 -29.024 35.6023 12.4582 GPRESSAVG: 4911200 -12.4168 12.8785 -29.4305 11.9343 -32.8415 35.5845 -27.9537 35.2115 10.7304 TIMING: 4911200 CPU: 14574.1, 0.00299248/step Wall: 14574.1, 0.00299248/step, 0.0738144 hours remaining, 209.847656 MB of memory in use. ENERGY: 4911200 746.7194 2092.7154 1926.3625 118.7322 -206176.0646 17731.0080 0.0000 0.0000 34272.7923 -149287.7349 299.3128 -183560.5272 -149191.8022 299.1263 -94.0006 -58.7941 558264.8401 -11.3807 -11.5093 PRESSURE: 4911400 -159.799 -25.0729 -50.9442 -25.073 -279.271 -229.228 -50.9447 -229.227 -67.1925 GPRESSURE: 4911400 -137.439 -53.6039 4.92881 0.871396 -271.844 -232.766 -77.1609 -259.711 -5.85831 PRESSAVG: 4911400 31.1338 -49.2551 -24.5443 -49.2552 -41.6609 -8.40688 -24.5443 -8.40679 0.205974 GPRESSAVG: 4911400 27.6636 -50.0689 -25.8568 -48.6321 -41.4456 -8.36915 -22.9836 -9.1677 2.74131 TIMING: 4911400 CPU: 14574.7, 0.00294994/step Wall: 14574.7, 0.00294994/step, 0.0726013 hours remaining, 209.847656 MB of memory in use. ENERGY: 4911400 775.0200 2084.1565 1921.8018 109.5937 -206438.5297 17864.6369 0.0000 0.0000 34364.8783 -149318.4425 300.1170 -183683.3208 -149233.2678 299.0646 -168.7542 -138.3804 558029.0924 -3.4404 -3.6802 PRESSURE: 4911600 -126.988 -61.6646 88.5533 -61.6648 65.5132 -43.5826 88.5532 -43.5826 18.9183 GPRESSURE: 4911600 -104.623 -27.1397 -5.4772 -1.21032 102.83 -121.177 166.11 25.2197 55.9072 PRESSAVG: 4911600 -25.169 34.6676 19.894 34.6675 18.8908 -9.86248 19.8941 -9.86254 6.33112 GPRESSAVG: 4911600 -22.3735 35.8792 21.8932 37.5066 18.5975 -12.2216 18.0638 -7.48569 4.16437 TIMING: 4911600 CPU: 14575.3, 0.00297484/step Wall: 14575.3, 0.00297484/step, 0.0730487 hours remaining, 209.847656 MB of memory in use. ENERGY: 4911600 705.8195 2039.6410 1937.4690 114.3130 -206107.8861 17910.2290 0.0000 0.0000 34223.5163 -149176.8982 298.8825 -183400.4145 -149081.5922 299.1730 -14.1855 18.0380 558201.0590 0.0176 0.1295 PRESSURE: 4911800 244.853 -137.68 102.169 -137.68 -51.5384 -54.1909 102.168 -54.1909 10.6151 GPRESSURE: 4911800 272.094 -131.817 88.4265 -65.2473 -11.0403 -113.971 64.4234 -16.7065 41.359 PRESSAVG: 4911800 64.9656 79.5522 2.14952 79.552 -50.2737 -33.8887 2.14948 -33.8886 17.3467 GPRESSAVG: 4911800 63.383 77.4768 2.09486 79.9824 -49.1868 -31.0161 2.37472 -35.5945 17.4742 TIMING: 4911800 CPU: 14575.9, 0.00300293/step Wall: 14575.9, 0.00300293/step, 0.0735719 hours remaining, 209.847656 MB of memory in use. ENERGY: 4911800 704.8332 2110.8899 1936.3823 109.0051 -206198.7139 17846.9267 0.0000 0.0000 34384.2084 -149106.4683 300.2858 -183490.6767 -149003.0686 299.6330 67.9765 100.8041 557805.1263 10.6796 10.5568 PRESSURE: 4912000 -106.933 29.616 114.113 29.6175 121.724 4.21562 114.113 4.21621 -312.284 GPRESSURE: 4912000 -97.9882 62.6517 104.952 -16.3654 136.323 -39.7773 102.883 -8.54158 -256.638 PRESSAVG: 4912000 103.353 18.9116 -37.6589 18.9117 -30.4101 -16.6625 -37.6589 -16.6626 -67.1346 GPRESSAVG: 4912000 103.93 19.89 -39.2417 20.6611 -32.0865 -16.0154 -37.5832 -18.342 -65.9151 TIMING: 4912000 CPU: 14576.5, 0.00296528/step Wall: 14576.5, 0.00296528/step, 0.0724846 hours remaining, 209.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4912000 735.8752 2087.6298 1925.8700 106.2736 -206182.1677 17678.4078 0.0000 0.0000 34481.4989 -149166.6124 301.1355 -183648.1113 -149068.2461 299.5900 -99.1643 -72.7675 557923.1879 1.9361 1.9761 PRESSURE: 4912200 7.20427 84.4225 -66.4632 84.4227 -237.175 -207.571 -66.4627 -207.571 -1.29233 GPRESSURE: 4912200 16.5376 115.434 -71.6663 48.097 -221.444 -159.212 -61.1779 -231.986 68.2467 PRESSAVG: 4912200 27.0027 50.6346 -69.2193 50.6345 19.4965 22.5797 -69.2193 22.5798 -40.6032 GPRESSAVG: 4912200 26.4822 51.6033 -69.5795 47.909 20.6242 19.9558 -68.6505 25.034 -41.0846 TIMING: 4912200 CPU: 14577.1, 0.00297662/step Wall: 14577.1, 0.00297662/step, 0.0725966 hours remaining, 209.847656 MB of memory in use. ENERGY: 4912200 749.9215 2062.3064 1912.7975 98.5824 -206005.6976 17662.4365 0.0000 0.0000 34277.0200 -149242.6333 299.3497 -183519.6533 -149147.9652 299.4577 -77.0875 -45.5533 557529.9712 1.9653 2.0073 LDB: ============= START OF LOAD BALANCING ============== 14580.6 LDB: ============== END OF LOAD BALANCING =============== 14580.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14580.6 LDB: ============= START OF LOAD BALANCING ============== 14580.9 LDB: Largest compute 4801 load 0.021772 is 18.4% of average load 0.118310 LDB: Average compute 0.001722 is 1.5% of average load 0.118310 LDB: TIME 14580.9 LOAD: AVG 0.11831 MAX 0.198441 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.039 MB LDB: TIME 14580.9 LOAD: AVG 0.11831 MAX 0.198441 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: TIME 14580.9 LOAD: AVG 0.11831 MAX 0.198441 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14580.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14581 PRESSURE: 4912400 -162.146 80.9717 -63.9115 80.9724 -165.301 -89.0319 -63.9109 -89.0321 -203.695 GPRESSURE: 4912400 -170.488 71.1773 -28.7267 5.87067 -147.086 -93.4792 -78.8616 -86.5871 -124.888 PRESSAVG: 4912400 30.6538 -1.96794 -15.2443 -1.96786 -58.4184 16.3792 -15.2443 16.3794 37.8678 GPRESSAVG: 4912400 31.022 -3.13458 -15.4414 -2.2005 -57.8876 17.2609 -14.1728 17.6538 37.0988 TIMING: 4912400 CPU: 14577.7, 0.00301672/step Wall: 14577.7, 0.00301672/step, 0.0734068 hours remaining, 209.062500 MB of memory in use. ENERGY: 4912400 785.8850 2001.9088 1943.3468 108.5239 -206025.3818 17620.9324 0.0000 0.0000 34196.3593 -149368.4256 298.6453 -183564.7849 -149265.7801 299.1435 -177.0471 -147.4870 557480.5372 3.3677 3.4111 PRESSURE: 4912600 -92.0148 -46.2935 1.3764 -46.2936 -9.44076 140.345 1.37672 140.346 -49.968 GPRESSURE: 4912600 -67.2813 -0.317667 25.1533 -68.1505 53.4851 59.4725 -49.7273 235.316 -41.3637 PRESSAVG: 4912600 70.405 -30.2428 -17.8778 -30.2428 -62.7058 10.0078 -17.8778 10.0078 -6.42292 GPRESSAVG: 4912600 71.2016 -29.9645 -17.0579 -29.7576 -63.5086 11.3023 -18.1677 7.82036 -5.94199 TIMING: 4912600 CPU: 14578.3, 0.00296058/step Wall: 14578.3, 0.00296058/step, 0.0718763 hours remaining, 209.062500 MB of memory in use. ENERGY: 4912600 736.7108 2098.4499 1921.7650 109.0841 -205795.0188 17594.1191 0.0000 0.0000 33994.4363 -149340.4536 296.8819 -183334.8899 -149238.2903 298.7258 -50.4745 -18.3866 556417.2705 0.4254 0.5837 PRESSURE: 4912800 13.6279 -128.71 46.668 -128.711 98.1171 47.1151 46.6685 47.1143 77.3229 GPRESSURE: 4912800 19.9493 -176.962 113.927 -91.3393 186.643 41.1404 -30.5949 30.9366 90.9102 PRESSAVG: 4912800 19.4667 -39.965 -7.81358 -39.965 12.8844 -18.8061 -7.81365 -18.806 -7.07422 GPRESSAVG: 4912800 18.6907 -40.1797 -8.9799 -39.0801 12.8776 -18.3447 -8.91756 -21.7508 -6.61247 TIMING: 4912800 CPU: 14578.9, 0.00294566/step Wall: 14578.9, 0.00294566/step, 0.0713504 hours remaining, 209.062500 MB of memory in use. ENERGY: 4912800 741.0970 2028.3668 1930.5850 115.4811 -206282.5897 17931.3081 0.0000 0.0000 34207.7348 -149328.0169 298.7447 -183535.7517 -149220.8423 298.3594 63.0227 99.1674 556961.6231 8.4256 8.3186 PRESSURE: 4913000 -233.078 69.7758 -33.6239 69.7767 -209.247 -6.46279 -33.6233 -6.46131 90.0991 GPRESSURE: 4913000 -184.252 182.633 24.219 -26.9297 -188.62 41.8733 -72.5461 -47.1736 110.518 PRESSAVG: 4913000 -98.0913 -1.51246 10.8381 -1.51253 9.77701 -68.371 10.838 -68.3711 50.1037 GPRESSAVG: 4913000 -98.1484 -2.16498 11.3934 -3.34914 10.053 -68.8748 13.7545 -67.4239 49.9169 TIMING: 4913000 CPU: 14579.5, 0.00294382/step Wall: 14579.5, 0.00294382/step, 0.0711423 hours remaining, 209.062500 MB of memory in use. ENERGY: 4913000 693.9823 2099.3826 1924.3507 114.8747 -205919.9285 17588.8242 0.0000 0.0000 34165.5923 -149332.9217 298.3766 -183498.5140 -149235.4296 298.0798 -117.4085 -87.4514 558876.6057 -12.7369 -12.7261 PRESSURE: 4913200 -37.1509 78.746 19.9825 78.7466 2.5746 7.76642 19.9818 7.76653 24.4537 GPRESSURE: 4913200 -36.5318 122.127 -57.7137 75.1887 83.5517 31.5385 44.0825 -44.1506 59.0511 PRESSAVG: 4913200 -69.567 18.4421 74.1954 18.4421 14.7144 16.8122 74.1955 16.812 67.6254 GPRESSAVG: 4913200 -70.844 20.7482 74.8116 18.2235 16.5604 15.9999 69.5298 18.3215 66.8798 TIMING: 4913200 CPU: 14580.1, 0.00295948/step Wall: 14580.1, 0.00295948/step, 0.0713564 hours remaining, 209.062500 MB of memory in use. ENERGY: 4913200 748.0610 2056.0983 1964.8231 104.7219 -206608.7065 17901.3914 0.0000 0.0000 34451.5045 -149382.1062 300.8736 -183833.6107 -149280.1633 298.2816 -3.3742 35.3570 556688.1307 4.2576 4.1988 PRESSURE: 4913400 -43.0807 165.481 124.725 165.483 155.834 61.4639 124.726 61.4632 182.542 GPRESSURE: 4913400 51.1024 99.6089 135.547 213.777 158.284 22.5259 254.97 65.6763 187.412 PRESSAVG: 4913400 -49.0743 -0.736994 60.0561 -0.736974 -23.928 -5.36795 60.0561 -5.36798 82.0524 GPRESSAVG: 4913400 -49.1891 -0.302784 57.7161 -0.291957 -25.3363 -6.9654 62.9931 -4.12951 83.3828 TIMING: 4913400 CPU: 14580.7, 0.00293877/step Wall: 14580.7, 0.00293877/step, 0.0706938 hours remaining, 209.062500 MB of memory in use. ENERGY: 4913400 759.7678 2117.7716 1928.6372 117.8039 -206492.8557 18084.2584 0.0000 0.0000 34333.8013 -149150.8155 299.8456 -183484.6168 -149055.3009 299.2643 98.4315 132.2661 556312.1224 3.0167 2.9524 PRESSURE: 4913600 -98.3946 219.969 -187.464 219.968 -48.4703 -46.5443 -187.464 -46.5443 72.8439 GPRESSURE: 4913600 -28.3353 173.507 -230.314 231.89 -10.114 -7.98223 -111.045 -116.022 45.2517 PRESSAVG: 4913600 -107.314 30.349 24.7627 30.3491 44.7929 -13.9906 24.7627 -13.9905 105.719 GPRESSAVG: 4913600 -105.742 29.773 27.6784 30.1837 43.4305 -10.312 23.6656 -14.5609 105.023 TIMING: 4913600 CPU: 14581.2, 0.00293973/step Wall: 14581.2, 0.00293973/step, 0.0705535 hours remaining, 209.062500 MB of memory in use. ENERGY: 4913600 715.3201 2091.9775 1919.6008 128.2559 -206285.0367 17921.2856 0.0000 0.0000 34364.5017 -149144.0950 300.1137 -183508.5967 -149044.9853 299.6234 -24.6737 2.2675 557140.6358 14.3994 14.2371 PRESSURE: 4913800 -168.4 49.6336 -135.29 49.6334 -236.752 -34.1336 -135.288 -34.1342 -380.166 GPRESSURE: 4913800 -120.577 54.047 -127.66 43.8666 -229.256 6.31868 -144.751 -23.7017 -337.67 PRESSAVG: 4913800 -49.9399 38.666 -2.57348 38.666 17.7038 -13.5152 -2.57356 -13.5151 31.7166 GPRESSAVG: 4913800 -50.288 39.7772 -4.00317 38.1944 18.1642 -16.2638 -3.01585 -15.0485 31.3166 TIMING: 4913800 CPU: 14581.8, 0.00296103/step Wall: 14581.8, 0.00296103/step, 0.0709001 hours remaining, 209.062500 MB of memory in use. ENERGY: 4913800 794.7892 2039.5242 1931.1342 130.5506 -205771.2596 17304.5573 0.0000 0.0000 34437.4048 -149133.2992 300.7504 -183570.7041 -149037.1411 299.4696 -261.7728 -229.1679 557691.3222 -0.1732 -0.2691 PRESSURE: 4914000 30.5246 -28.8495 -14.2738 -28.8483 30.0871 -26.3302 -14.2738 -26.3289 3.85798 GPRESSURE: 4914000 40.3176 22.7962 -13.5866 -18.1059 68.6188 36.212 -45.6925 -145.734 56.8668 PRESSAVG: 4914000 44.0068 -63.4744 -19.657 -63.4744 -13.5362 -15.0981 -19.657 -15.0979 -56.3219 GPRESSAVG: 4914000 44.4713 -66.7368 -18.8746 -61.9604 -12.8177 -13.8035 -20.8449 -15.9257 -57.5658 TIMING: 4914000 CPU: 14582.4, 0.00294931/step Wall: 14582.4, 0.00294931/step, 0.0704557 hours remaining, 209.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4914000 728.6375 1991.5953 1910.9580 123.3502 -205875.9121 17739.7818 0.0000 0.0000 34218.1251 -149163.4642 298.8354 -183381.5893 -149067.9465 298.9806 21.4899 55.2677 557794.6896 -8.6171 -8.6374 PRESSURE: 4914200 118.509 -52.4663 -257.21 -52.466 140.733 -307.708 -257.211 -307.71 -182.678 GPRESSURE: 4914200 140.491 -74.495 -226.555 -58.3965 143.171 -359.46 -292.04 -273.773 -111.094 PRESSAVG: 4914200 2.36579 -2.90676 -15.9876 -2.90678 -31.4595 -4.39211 -15.9876 -4.39203 6.33421 GPRESSAVG: 4914200 1.37187 -0.924072 -15.1277 -3.79111 -32.4471 -5.51579 -14.1801 -1.69435 8.38585 TIMING: 4914200 CPU: 14583, 0.00292747/step Wall: 14583, 0.00292747/step, 0.0697713 hours remaining, 209.062500 MB of memory in use. ENERGY: 4914200 696.6400 2111.2665 1959.0260 103.4074 -205920.9884 17659.1392 0.0000 0.0000 34373.1303 -149018.3790 300.1891 -183391.5093 -148924.3471 299.7714 25.5214 57.5227 558350.5629 -7.5865 -7.5631 PRESSURE: 4914400 -179.026 -10.6409 -156.793 -10.6411 -143.993 167.432 -156.793 167.433 21.3678 GPRESSURE: 4914400 -103.224 69.0382 -217.173 -15.3653 -214.284 210.42 -96.718 44.2155 120.83 PRESSAVG: 4914400 45.2728 -71.0782 -69.6985 -71.0781 -16.0016 14.8743 -69.6985 14.8743 -8.11075 GPRESSAVG: 4914400 45.0203 -72.8555 -71.9957 -71.8234 -16.23 14.9036 -70.4316 13.8646 -8.40541 TIMING: 4914400 CPU: 14583.6, 0.00296645/step Wall: 14583.6, 0.00296645/step, 0.0705355 hours remaining, 209.062500 MB of memory in use. ENERGY: 4914400 773.8540 2071.9946 1922.0421 104.3035 -205761.4705 17598.2049 0.0000 0.0000 34202.6293 -149088.4421 298.7001 -183291.0714 -148988.5225 299.8297 -100.5505 -65.5593 557274.7935 7.0535 6.7950 PRESSURE: 4914600 -97.897 -100.368 76.414 -100.368 -17.0018 -16.8866 76.4136 -16.8863 12.4079 GPRESSURE: 4914600 -79.8522 -115.987 118.542 -85.2986 31.7986 20.8411 57.8394 -45.4761 41.6091 PRESSAVG: 4914600 14.9494 10.0845 -78.0297 10.0845 -60.8193 -3.1953 -78.0298 -3.19541 55.1176 GPRESSAVG: 4914600 14.0684 11.8291 -80.4089 9.96845 -60.5526 -2.82305 -75.6411 -4.06123 56.4512 TIMING: 4914600 CPU: 14584.2, 0.0029414/step Wall: 14584.2, 0.0029414/step, 0.0697765 hours remaining, 209.062500 MB of memory in use. ENERGY: 4914600 743.6993 2057.6709 1939.9879 98.7018 -205800.5937 17574.6014 0.0000 0.0000 34370.3148 -149015.6174 300.1645 -183385.9322 -148922.9199 299.3352 -34.1636 -2.1482 557922.7997 3.0826 3.3223 PRESSURE: 4914800 -133.607 -94.098 144.344 -94.0979 -137.513 -3.90178 144.343 -3.90245 88.7125 GPRESSURE: 4914800 -71.4655 -80.6742 123.611 -57.7339 -81.9472 -46.0634 208.185 -32.14 68.4695 PRESSAVG: 4914800 -35.8853 -14.242 20.2638 -14.2421 7.66327 4.5085 20.2639 4.50853 -1.70274 GPRESSAVG: 4914800 -34.3882 -15.2936 19.8978 -14.4997 7.52968 5.61573 18.1735 4.51454 -2.72932 TIMING: 4914800 CPU: 14584.8, 0.00294946/step Wall: 14584.8, 0.00294946/step, 0.0698038 hours remaining, 209.062500 MB of memory in use. ENERGY: 4914800 756.5446 2123.1966 1920.7654 106.8233 -206030.4459 17672.0858 0.0000 0.0000 34397.3174 -149053.7128 300.4003 -183451.0302 -148949.9520 299.6947 -60.8024 -28.3144 557440.1198 -9.9749 -9.8626 PRESSURE: 4915000 63.2055 90.3021 -181.111 90.3017 -203.254 27.2135 -181.11 27.2135 -38.2966 GPRESSURE: 4915000 14.2425 119.468 -177.098 58.6634 -126.58 32.3909 -165.847 -20.1042 17.6769 PRESSAVG: 4915000 -17.0762 8.84269 -35.2856 8.84274 59.5874 1.02402 -35.2855 1.02391 -13.1835 GPRESSAVG: 4915000 -17.2266 9.61082 -32.8437 8.71171 59.0178 1.94736 -34.0205 0.735388 -12.6398 TIMING: 4915000 CPU: 14585.4, 0.00293184/step Wall: 14585.4, 0.00293184/step, 0.0692239 hours remaining, 209.062500 MB of memory in use. ENERGY: 4915000 707.1535 2103.4002 1929.1516 109.0373 -205600.7400 17502.1218 0.0000 0.0000 34175.6291 -149074.2465 298.4643 -183249.8757 -148975.9830 299.7995 -59.4484 -31.5537 557285.6741 9.7759 9.7171 PRESSURE: 4915200 -131.746 -15.7949 86.8003 -15.7945 -173.615 -120.416 86.8007 -120.416 -92.3089 GPRESSURE: 4915200 -34.7087 -7.18112 12.8293 -25.0578 -153.573 -151.405 139.905 -148.906 -116.551 PRESSAVG: 4915200 -0.578986 53.4107 -6.55471 53.4108 -10.8763 -0.596285 -6.55473 -0.596348 43.4767 GPRESSAVG: 4915200 -1.42352 53.5886 -9.23271 55.5659 -9.80901 -3.33561 -7.31828 1.87673 43.4672 TIMING: 4915200 CPU: 14585.9, 0.00292514/step Wall: 14585.9, 0.00292514/step, 0.0689034 hours remaining, 209.062500 MB of memory in use. ENERGY: 4915200 754.8621 2058.0133 1942.8022 117.0890 -205827.8362 17528.6501 0.0000 0.0000 34319.9940 -149106.4254 299.7250 -183426.4194 -149004.0508 299.5379 -132.5567 -101.6109 557470.5163 10.6738 10.7449 PRESSURE: 4915400 -19.081 -68.0006 -20.3938 -68.0008 -94.5481 113.988 -20.3956 113.987 107.928 GPRESSURE: 4915400 2.28951 -70.718 25.4959 -55.5358 -44.2843 45.2827 -24.5464 119.615 137.6 PRESSAVG: 4915400 37.3285 -41.621 8.92764 -41.621 -24.5052 -57.722 8.92755 -57.722 -14.5258 GPRESSAVG: 4915400 38.9777 -41.1213 13.5987 -42.4455 -25.1583 -56.2686 8.08222 -57.6019 -15.1068 TIMING: 4915400 CPU: 14586.5, 0.00289199/step Wall: 14586.5, 0.00289199/step, 0.0679617 hours remaining, 209.062500 MB of memory in use. ENERGY: 4915400 746.4865 2044.2872 1916.5975 113.3383 -205955.8405 17591.7423 0.0000 0.0000 34284.4320 -149258.9566 299.4145 -183543.3887 -149160.0007 298.9430 -1.9003 31.8685 555180.6172 -0.5675 -0.4291 PRESSURE: 4915600 -314.952 197.54 -40.0675 197.541 -42.0325 74.2345 -40.0674 74.2351 -26.7706 GPRESSURE: 4915600 -295.122 127.021 8.23861 217.386 -55.0007 99.6443 59.1562 41.8956 65.4483 PRESSAVG: 4915600 -11.1248 40.1036 5.09269 40.1036 -6.54963 13.7238 5.09266 13.7237 49.877 GPRESSAVG: 4915600 -12.9096 39.8885 2.63359 38.1288 -6.63154 12.0763 4.5198 12.3906 51.7499 TIMING: 4915600 CPU: 14587.1, 0.0029214/step Wall: 14587.1, 0.0029214/step, 0.0684906 hours remaining, 209.062500 MB of memory in use. ENERGY: 4915600 767.1826 2032.4962 1913.1021 105.5986 -206117.8565 17723.3368 0.0000 0.0000 34239.6412 -149336.4990 299.0233 -183576.1402 -149232.4552 298.9842 -127.9183 -94.8916 556760.4165 10.7342 10.7362 PRESSURE: 4915800 -168.647 -44.3454 38.357 -44.3456 -360.816 41.4924 38.3566 41.4913 1.54165 GPRESSURE: 4915800 -135.75 81.9478 -39.5196 -50.8693 -274.064 -11.8982 145.292 81.191 -17.2034 PRESSAVG: 4915800 -67.3114 -9.69989 40.0843 -9.69984 -3.71462 -66.9349 40.0843 -66.9349 60.975 GPRESSAVG: 4915800 -66.5228 -8.66164 41.0028 -8.42315 -3.44922 -67.5275 40.3787 -66.869 59.9988 TIMING: 4915800 CPU: 14587.7, 0.00292273/step Wall: 14587.7, 0.00292273/step, 0.0683593 hours remaining, 209.062500 MB of memory in use. ENERGY: 4915800 748.6157 2107.3258 1906.5491 98.6306 -205636.0783 17425.6754 0.0000 0.0000 34255.4633 -149093.8183 299.1615 -183349.2817 -149003.4698 298.6826 -175.9736 -142.3390 558377.4163 -3.3503 -3.3244 PRESSURE: 4916000 -330.234 66.7662 95.6263 66.7651 -149.188 -33.6761 95.6254 -33.6769 -221.344 GPRESSURE: 4916000 -302.222 75.2554 176.384 78.0562 -114.606 -29.5447 58.7302 20.2759 -183.676 PRESSAVG: 4916000 36.0317 40.6819 53.4428 40.6819 -28.9731 -41.8154 53.4429 -41.8152 31.3065 GPRESSAVG: 4916000 36.4738 39.2732 52.5559 40.8457 -30.2857 -38.8416 54.2027 -42.237 32.0188 TIMING: 4916000 CPU: 14588.3, 0.00294686/step Wall: 14588.3, 0.00294686/step, 0.0687601 hours remaining, 209.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4916000 761.8218 2138.8689 1937.7445 114.9718 -205719.9316 17565.2869 0.0000 0.0000 34184.3663 -149016.8714 298.5406 -183201.2377 -148921.6624 299.1706 -233.5889 -200.1678 559764.4103 12.7884 12.7356 PRESSURE: 4916200 -54.3433 102.734 81.0857 102.735 128.161 207.44 81.0859 207.439 -105.6 GPRESSURE: 4916200 -67.2832 72.5237 121.942 149.405 186.645 149.117 55.9657 197.442 -53.296 PRESSAVG: 4916200 -1.4797 26.9864 49.4583 26.9864 7.11744 71.9353 49.4583 71.9353 15.1238 GPRESSAVG: 4916200 -2.17064 26.2507 50.2275 27.9463 9.51523 69.8067 47.6858 72.0774 14.1146 TIMING: 4916200 CPU: 14588.9, 0.0029345/step Wall: 14588.9, 0.0029345/step, 0.0683086 hours remaining, 209.062500 MB of memory in use. ENERGY: 4916200 702.3193 2135.0174 1915.7114 117.4862 -205660.5126 17753.6454 0.0000 0.0000 34105.4561 -148930.8769 297.8514 -183036.3330 -148838.8909 299.2513 -10.5941 22.0221 558457.4623 6.9205 7.1531 LDB: ============= START OF LOAD BALANCING ============== 14592.4 LDB: ============== END OF LOAD BALANCING =============== 14592.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14592.4 LDB: ============= START OF LOAD BALANCING ============== 14592.7 LDB: Largest compute 4801 load 0.021718 is 18.3% of average load 0.118369 LDB: Average compute 0.001725 is 1.5% of average load 0.118369 LDB: TIME 14592.7 LOAD: AVG 0.118369 MAX 0.19768 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.039 MB LDB: TIME 14592.7 LOAD: AVG 0.118369 MAX 0.19768 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: TIME 14592.7 LOAD: AVG 0.118369 MAX 0.19768 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14592.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14592.7 PRESSURE: 4916400 40.8535 35.1133 11.417 35.1136 -81.3435 -20.0612 11.4163 -20.0592 -129.765 GPRESSURE: 4916400 19.5349 104.276 25.766 115.963 -18.5949 -54.1697 -18.6434 -43.8004 -65.602 PRESSAVG: 4916400 -13.8382 14.8968 -19.6153 14.8968 -24.4661 11.0545 -19.6153 11.0544 27.7081 GPRESSAVG: 4916400 -14.3396 16.0116 -21.6846 15.1512 -25.9305 10.4875 -16.8176 10.0213 29.3412 TIMING: 4916400 CPU: 14589.5, 0.00299064/step Wall: 14589.5, 0.00299064/step, 0.0694493 hours remaining, 208.808594 MB of memory in use. ENERGY: 4916400 762.1627 2110.6479 1906.1980 121.2738 -206263.9336 17971.9548 0.0000 0.0000 34228.6298 -149163.0666 298.9271 -183391.6964 -149073.1752 298.9911 -56.7517 -21.5540 558477.5332 -3.5321 -3.6430 PRESSURE: 4916600 -262.661 -124.152 -1.90245 -124.152 -47.0084 21.3793 -1.90104 21.3796 -358.175 GPRESSURE: 4916600 -240.774 -182.532 -25.2005 -140.108 21.2114 118.515 -77.2832 -80.3052 -332.955 PRESSAVG: 4916600 -38.3749 12.1998 -27.7634 12.1998 -17.9335 -24.5993 -27.7634 -24.5994 35.0221 GPRESSAVG: 4916600 -39.0846 14.3237 -24.3925 10.628 -17.1086 -26.1632 -30.2209 -22.9851 34.4121 TIMING: 4916600 CPU: 14590.1, 0.00292936/step Wall: 14590.1, 0.00292936/step, 0.0678636 hours remaining, 208.878906 MB of memory in use. ENERGY: 4916600 740.6776 2162.5375 1914.9779 111.9647 -205878.3293 17661.2845 0.0000 0.0000 34274.0051 -149012.8820 299.3234 -183286.8871 -148916.1745 299.2496 -222.6148 -184.1726 560030.4261 -7.0954 -7.2603 PRESSURE: 4916800 92.0098 149.109 -118.586 149.109 -73.5844 -18.3539 -118.585 -18.3537 141.595 GPRESSURE: 4916800 73.5164 119.046 -58.617 130.389 5.99263 -7.56479 -54.3412 -52.996 179.177 PRESSAVG: 4916800 -27.7683 29.5831 6.41478 29.5833 -31.1612 -16.9259 6.41479 -16.9259 22.0303 GPRESSAVG: 4916800 -26.3949 30.2606 4.70323 28.0284 -31.0487 -15.5198 7.6139 -16.344 21.3858 TIMING: 4916800 CPU: 14590.6, 0.00296243/step Wall: 14590.6, 0.00296243/step, 0.0684651 hours remaining, 208.878906 MB of memory in use. ENERGY: 4916800 763.2425 2128.3111 1918.1217 98.5893 -206580.1513 18135.6994 0.0000 0.0000 34442.2065 -149093.9808 300.7924 -183536.1873 -148992.3514 300.0685 53.3400 86.2287 559626.7240 -12.2997 -12.0193 PRESSURE: 4917000 -1.78735 163.239 90.0963 163.239 -48.3388 -27.0525 90.0965 -27.0524 181.631 GPRESSURE: 4917000 31.9394 237.665 91.6479 119.979 -15.9951 -19.8791 33.7139 63.3917 224.518 PRESSAVG: 4917000 -12.7854 40.0099 18.55 40.0099 -41.9614 31.9294 18.55 31.9293 -4.77082 GPRESSAVG: 4917000 -12.4717 40.2376 18.6521 40.9809 -41.9575 33.2142 16.7227 31.9936 -4.98871 TIMING: 4917000 CPU: 14591.2, 0.00296159/step Wall: 14591.2, 0.00296159/step, 0.0682811 hours remaining, 208.878906 MB of memory in use. ENERGY: 4917000 738.7337 2140.3405 1957.2040 118.6022 -206083.1674 17830.4838 0.0000 0.0000 34225.0831 -149072.7202 298.8962 -183297.8034 -148975.6380 300.1794 43.8349 80.1542 558022.9523 -19.8392 -19.8060 PRESSURE: 4917200 67.8242 46.8822 10.874 46.8816 -192.52 -40.5514 10.8757 -40.5523 59.541 GPRESSURE: 4917200 137.109 -19.1445 103.121 132.007 -146.847 -60.1229 11.9506 -25.8426 41.9162 PRESSAVG: 4917200 44.4268 26.5838 47.4068 26.5837 -85.5923 -4.35641 47.4068 -4.35641 30.3315 GPRESSAVG: 4917200 45.3344 23.2242 48.2458 26.053 -86.1681 -4.81201 48.1349 -5.91994 30.0322 TIMING: 4917200 CPU: 14591.8, 0.00294731/step Wall: 14591.8, 0.00294731/step, 0.0677881 hours remaining, 208.878906 MB of memory in use. ENERGY: 4917200 771.3650 2107.1374 1930.0672 123.5619 -205924.0114 17729.1425 0.0000 0.0000 34102.4325 -149160.3049 297.8250 -183262.7374 -149071.2828 299.4832 -21.7181 10.7262 558805.5213 -3.6113 -3.6005 PRESSURE: 4917400 -324.107 -32.0428 56.8493 -32.0429 -89.215 1.25912 56.8501 1.25927 -185.055 GPRESSURE: 4917400 -242.947 -70.6577 44.7929 13.441 -97.7922 54.3768 140.804 -36.2395 -157.147 PRESSAVG: 4917400 -9.67453 38.2335 48.6556 38.2335 -4.1442 -21.9566 48.6556 -21.9566 56.8073 GPRESSAVG: 4917400 -11.1988 39.9611 47.0886 39.021 -3.19291 -22.0736 49.4755 -21.2489 57.5843 TIMING: 4917400 CPU: 14592.4, 0.00296746/step Wall: 14592.4, 0.00296746/step, 0.0680868 hours remaining, 208.878906 MB of memory in use. ENERGY: 4917400 765.4904 2123.7431 1963.4506 116.4468 -206155.0706 17590.9504 0.0000 0.0000 34126.6572 -149468.3321 298.0366 -183594.9893 -149372.0840 298.3384 -199.4588 -165.9621 557918.5710 14.3295 14.3975 PRESSURE: 4917600 -88.6675 -13.3461 -105.65 -13.344 -266.978 -35.3054 -105.651 -35.3071 176.673 GPRESSURE: 4917600 -113.149 -15.3229 -103.353 19.0418 -166.369 -10.3629 -99.9168 -100.755 207.929 PRESSAVG: 4917600 -55.9746 -37.8283 -18.8021 -37.8281 12.7941 -38.5639 -18.8021 -38.564 16.5803 GPRESSAVG: 4917600 -55.4294 -39.4631 -18.3805 -36.7763 12.4836 -39.8045 -18.6183 -38.5726 16.1602 TIMING: 4917600 CPU: 14593, 0.00296279/step Wall: 14593, 0.00296279/step, 0.067815 hours remaining, 208.878906 MB of memory in use. ENERGY: 4917600 764.4690 2103.5344 1893.7798 99.6378 -206120.5044 17726.5511 0.0000 0.0000 34002.3756 -149530.1566 296.9512 -183532.5322 -149437.8114 298.3301 -59.6576 -23.8629 557006.2502 -8.8667 -8.9285 PRESSURE: 4917800 -33.2548 -12.6388 22.0617 -12.6393 -188.318 17.1001 22.0616 17.0974 -70.1598 GPRESSURE: 4917800 39.6174 65.8391 68.8457 -80.1498 -129.633 -15.7173 63.0846 -17.5142 -110.733 PRESSAVG: 4917800 -87.403 20.7502 -5.6543 20.7502 23.4311 -53.8927 -5.65427 -53.8927 110.634 GPRESSAVG: 4917800 -88.9414 21.3855 -4.52276 19.3503 24.9985 -53.446 -4.23175 -53.8877 111.043 TIMING: 4917800 CPU: 14593.6, 0.00293589/step Wall: 14593.6, 0.00293589/step, 0.067036 hours remaining, 208.878906 MB of memory in use. ENERGY: 4917800 746.9466 2080.0831 1942.6834 114.5670 -206175.6912 17692.5124 0.0000 0.0000 34173.3396 -149425.5592 298.4443 -183598.8987 -149326.9022 298.4370 -97.2442 -66.9160 557449.0357 15.5540 15.7000 PRESSURE: 4918000 -10.357 20.6795 -72.2529 20.679 -48.5788 -30.1902 -72.2532 -30.1913 -211.42 GPRESSURE: 4918000 -12.2123 57.748 -114.58 29.418 -43.9864 -37.7915 -101.654 -14.5274 -124.444 PRESSAVG: 4918000 -76.7029 8.71886 -75.9289 8.71884 28.545 -11.0301 -75.9289 -11.0303 29.1065 GPRESSAVG: 4918000 -75.2837 9.09593 -76.5675 10.6705 27.1827 -9.95089 -79.117 -9.2068 29.2409 TIMING: 4918000 CPU: 14594.2, 0.00294919/step Wall: 14594.2, 0.00294919/step, 0.0671761 hours remaining, 208.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4918000 737.3184 2108.2685 1912.7375 114.2630 -206007.1639 17670.2021 0.0000 0.0000 34279.5963 -149184.7780 299.3722 -183464.3744 -149094.3847 299.2169 -90.1185 -60.2141 557727.2661 -6.3505 -6.2867 PRESSURE: 4918200 -355.752 24.591 16.171 24.5898 -114.058 37.0136 16.1715 37.0132 -249.645 GPRESSURE: 4918200 -343.587 -63.0506 -9.89451 -24.5324 -71.2404 86.9661 7.37199 75.9604 -204.503 PRESSAVG: 4918200 13.8147 -23.4316 -24.3447 -23.4316 -21.1814 -20.5071 -24.3447 -20.5071 18.4629 GPRESSAVG: 4918200 14.1304 -25.2168 -24.735 -23.8208 -21.9899 -21.5762 -23.6651 -23.0932 19.5107 TIMING: 4918200 CPU: 14594.8, 0.00294561/step Wall: 14594.8, 0.00294561/step, 0.0669308 hours remaining, 208.878906 MB of memory in use. ENERGY: 4918200 734.8341 2082.0067 1916.8730 123.3101 -205945.3941 17490.3037 0.0000 0.0000 34209.6519 -149388.4147 298.7614 -183598.0665 -149294.9128 298.4326 -239.8182 -206.4437 559234.2702 3.6988 3.8838 PRESSURE: 4918400 45.3092 -6.11419 -81.8766 -6.11486 -127.733 -12.5689 -81.8767 -12.5667 -154.432 GPRESSURE: 4918400 82.8289 67.3135 -56.3062 -106.886 -107.101 -4.48505 -83.3327 19.2324 -101.677 PRESSAVG: 4918400 -39.9655 1.56756 -49.6976 1.56766 14.6647 31.8966 -49.6976 31.8966 38.1864 GPRESSAVG: 4918400 -40.3962 3.61616 -50.041 0.442336 15.8652 33.9714 -50.1107 32.2319 37.2356 TIMING: 4918400 CPU: 14595.4, 0.00298721/step Wall: 14595.4, 0.00298721/step, 0.06771 hours remaining, 208.878906 MB of memory in use. ENERGY: 4918400 765.3845 2065.7753 1932.3043 113.2613 -206344.6627 17737.5112 0.0000 0.0000 34347.0915 -149383.3345 299.9617 -183730.4260 -149281.3605 299.1072 -78.9520 -41.9832 557215.2193 4.2952 4.2349 PRESSURE: 4918600 -112.762 91.0119 69.6358 91.0124 -131.565 207.058 69.6351 207.057 18.3024 GPRESSURE: 4918600 -30.4495 66.9906 23.5388 85.3054 -154.599 117.469 144.199 251.356 55.4104 PRESSAVG: 4918600 -8.9646 -54.6501 -6.80265 -54.65 15.3773 -14.9153 -6.80275 -14.9153 23.9705 GPRESSAVG: 4918600 -7.46372 -56.6904 -6.1571 -51.6933 13.7886 -16.1211 -5.13539 -13.0358 23.7807 TIMING: 4918600 CPU: 14596, 0.00297662/step Wall: 14596, 0.00297662/step, 0.0673048 hours remaining, 208.878906 MB of memory in use. ENERGY: 4918600 766.3207 2107.4342 1963.3687 107.5933 -206424.3487 17930.0080 0.0000 0.0000 34232.3897 -149317.2341 298.9600 -183549.6237 -149218.1606 299.3165 -75.3418 -43.2126 558250.1842 10.1277 10.0352 PRESSURE: 4918800 327.573 -145.301 204.877 -145.302 216.469 -124.598 204.879 -124.596 274.359 GPRESSURE: 4918800 369.223 -81.3142 218.315 -176.604 256.603 -131.894 141.567 -129.193 286.711 PRESSAVG: 4918800 -52.673 14.8511 31.3037 14.8509 1.90891 21.6322 31.3036 21.6321 21.5467 GPRESSAVG: 4918800 -52.0414 16.234 29.8742 11.6758 1.57334 21.3888 29.7442 21.2558 21.0568 TIMING: 4918800 CPU: 14596.6, 0.00299866/step Wall: 14596.6, 0.00299866/step, 0.0676364 hours remaining, 208.878906 MB of memory in use. ENERGY: 4918800 688.3545 2100.3842 1951.5985 116.4793 -206454.2755 18107.2409 0.0000 0.0000 34325.2667 -149164.9514 299.7711 -183490.2181 -149064.3201 298.8311 272.8004 304.1790 556753.1682 -9.7391 -9.8037 PRESSURE: 4919000 -202.679 105.615 -47.0499 105.614 -282.136 103.306 -47.0504 103.306 -98.8829 GPRESSURE: 4919000 -260.722 113.119 5.20456 108.168 -214.823 103.655 -42.3018 53.9746 -10.4564 PRESSAVG: 4919000 -22.3592 -33.6671 -26.1844 -33.667 23.7292 27.642 -26.1845 27.6421 -32.2732 GPRESSAVG: 4919000 -24.1356 -36.4632 -25.8159 -31.7231 25.8977 26.6399 -24.1461 25.8803 -32.1903 TIMING: 4919000 CPU: 14597.2, 0.00295614/step Wall: 14597.2, 0.00295614/step, 0.0665131 hours remaining, 208.878906 MB of memory in use. ENERGY: 4919000 784.0236 2135.2719 1940.2292 117.9550 -206108.0365 17604.5720 0.0000 0.0000 34262.8714 -149263.1135 299.2262 -183525.9849 -149169.5350 299.2992 -194.5662 -162.0006 558285.6188 -10.3011 -10.1427 PRESSURE: 4919200 47.215 -121.82 -34.4458 -121.821 97.7563 -69.423 -34.4473 -69.4217 -211.623 GPRESSURE: 4919200 83.6488 -41.1478 -10.5745 -81.108 104.773 -22.3748 -43.9524 -89.8441 -145.522 PRESSAVG: 4919200 46.0331 -44.8159 -37.4342 -44.8159 46.8726 25.5023 -37.4341 25.5023 -31.8636 GPRESSAVG: 4919200 46.3659 -40.7946 -36.93 -45.3827 45.3747 26.8961 -39.7227 25.6446 -31.1304 TIMING: 4919200 CPU: 14597.8, 0.00296648/step Wall: 14597.8, 0.00296648/step, 0.0665809 hours remaining, 208.878906 MB of memory in use. ENERGY: 4919200 744.1845 2155.0588 1941.2754 118.7596 -206216.2539 17806.4675 0.0000 0.0000 34185.6813 -149264.8268 298.5521 -183450.5081 -149163.6668 299.8262 -22.2172 14.3000 557077.6526 20.3474 20.2034 PRESSURE: 4919400 -212.991 11.365 94.9934 11.3642 -93.7634 118.624 94.9945 118.625 -367.055 GPRESSURE: 4919400 -174.869 -34.2462 39.5601 -61.6985 -64.1341 110.984 201.128 111.721 -333.934 PRESSAVG: 4919400 84.4636 -74.3309 -5.41595 -74.3309 -54.3321 -22.374 -5.41585 -22.3739 -40.0911 GPRESSAVG: 4919400 84.6189 -76.8246 -6.0535 -75.0351 -53.209 -24.5283 -2.69913 -22.8324 -41.0272 TIMING: 4919400 CPU: 14598.4, 0.00296091/step Wall: 14598.4, 0.00296091/step, 0.0662915 hours remaining, 208.878906 MB of memory in use. ENERGY: 4919400 792.9122 2064.5945 1954.5147 128.6535 -206023.1303 17530.4452 0.0000 0.0000 34374.2473 -149177.7629 300.1989 -183552.0102 -149075.2131 299.2315 -224.6030 -190.9789 557108.1779 -3.3199 -3.2058 PRESSURE: 4919600 -129.647 178.706 -29.1767 178.707 -288.811 91.3026 -29.1771 91.3029 121.825 GPRESSURE: 4919600 -119.875 122.047 -33.574 143.835 -272.472 141.853 9.69211 30.9863 182.794 PRESSAVG: 4919600 4.35693 -1.34175 -60.7617 -1.34162 -14.0866 18.1439 -60.7617 18.1439 11.0487 GPRESSAVG: 4919600 4.76945 -0.177069 -60.7804 -0.0130338 -15.8721 19.6807 -61.5799 15.6911 12.3833 TIMING: 4919600 CPU: 14598.9, 0.00298183/step Wall: 14598.9, 0.00298183/step, 0.0665943 hours remaining, 208.878906 MB of memory in use. ENERGY: 4919600 728.8076 2164.2896 1929.4995 127.7503 -206054.8044 17619.9582 0.0000 0.0000 34295.7807 -149188.7184 299.5136 -183484.4991 -149091.9190 300.0253 -98.8774 -69.8513 556332.7418 0.4396 0.4269 PRESSURE: 4919800 7.60947 -64.7445 81.976 -64.7439 -113.07 84.3006 81.9768 84.3023 117.9 GPRESSURE: 4919800 50.4144 -52.9794 63.83 -58.2723 -135.295 73.554 190.9 77.336 191.406 PRESSAVG: 4919800 -24.6817 -44.9547 20.7653 -44.9546 2.68703 42.177 20.7653 42.177 18.3198 GPRESSAVG: 4919800 -25.5534 -42.3233 20.8033 -45.8662 4.30435 40.3521 20.8116 45.0474 17.6934 TIMING: 4919800 CPU: 14599.5, 0.00297711/step Wall: 14599.5, 0.00297711/step, 0.0663233 hours remaining, 208.878906 MB of memory in use. ENERGY: 4919800 729.3299 2095.9392 1905.8095 123.9021 -206482.6815 17897.7807 0.0000 0.0000 34519.0844 -149210.8355 301.4637 -183729.9200 -149126.4218 299.3841 4.1466 35.5086 557485.4842 -1.2250 -1.1852 PRESSURE: 4920000 10.391 -4.37178 16.3789 -4.37067 44.1215 43.886 16.3783 43.8876 148.049 GPRESSURE: 4920000 10.6718 -8.06891 -3.63077 32.7342 96.871 -6.20831 35.2338 66.3552 192.857 PRESSAVG: 4920000 -34.8099 5.43429 -24.6218 5.43433 39.1592 40.0206 -24.6218 40.0206 6.09361 GPRESSAVG: 4920000 -34.9344 2.24169 -24.4185 6.24186 38.5096 39.624 -23.9719 39.7554 7.142 TIMING: 4920000 CPU: 14600.1, 0.00295001/step Wall: 14600.1, 0.00295001/step, 0.0655557 hours remaining, 208.878906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4920000 764.3917 2128.8692 1901.5041 95.3577 -206287.5354 17949.3464 0.0000 0.0000 34115.8237 -149332.2427 297.9420 -183448.0664 -149233.4475 299.1808 67.5206 100.1332 557026.8910 3.4810 3.5724 PRESSURE: 4920200 96.6844 23.904 25.8939 23.9036 5.8925 -16.5497 25.8954 -16.5509 -101.228 GPRESSURE: 4920200 151.28 24.6106 100.37 -15.3896 12.9411 -153.792 -77.8547 98.2054 -52.007 PRESSAVG: 4920200 49.2114 9.92975 40.1865 9.9297 -18.3796 30.5397 40.1865 30.5396 -40.1165 GPRESSAVG: 4920200 50.8028 12.039 41.3475 8.01211 -19.5366 33.619 36.7257 29.4733 -40.0687 TIMING: 4920200 CPU: 14600.7, 0.0029414/step Wall: 14600.7, 0.0029414/step, 0.0652011 hours remaining, 208.878906 MB of memory in use. ENERGY: 4920200 789.0896 2076.7660 1921.9083 116.0926 -206296.1133 17857.5794 0.0000 0.0000 34205.5512 -149329.1260 298.7256 -183534.6772 -149236.1035 299.0964 0.4497 37.4047 556074.0604 -3.0949 -2.9342 LDB: ============= START OF LOAD BALANCING ============== 14604.3 LDB: ============== END OF LOAD BALANCING =============== 14604.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14604.3 LDB: ============= START OF LOAD BALANCING ============== 14604.6 LDB: Largest compute 4801 load 0.022084 is 18.7% of average load 0.118312 LDB: Average compute 0.001718 is 1.5% of average load 0.118312 LDB: TIME 14604.6 LOAD: AVG 0.118312 MAX 0.19532 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.125 MB LDB: TIME 14604.6 LOAD: AVG 0.118312 MAX 0.19532 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.125 MB LDB: TIME 14604.6 LOAD: AVG 0.118312 MAX 0.19532 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.125 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14604.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14604.6 PRESSURE: 4920400 -293.872 -34.8018 12.4958 -34.8027 -158.271 -109.437 12.4947 -109.439 22.263 GPRESSURE: 4920400 -209.391 -43.7558 16.9052 -82.9216 -119.397 -41.9616 93.8192 -61.7345 15.975 PRESSAVG: 4920400 40.1479 -36.9766 39.7362 -36.9766 36.9624 23.61 39.7362 23.6099 -71.419 GPRESSAVG: 4920400 38.772 -36.9829 37.4956 -37.0904 37.6593 22.1939 41.2137 22.6965 -71.4153 TIMING: 4920400 CPU: 14601.3, 0.00297564/step Wall: 14601.3, 0.00297564/step, 0.0657947 hours remaining, 210.863281 MB of memory in use. ENERGY: 4920400 761.9984 2102.6169 1922.0713 106.9524 -205955.4911 17585.3827 0.0000 0.0000 34260.5709 -149215.8985 299.2061 -183476.4694 -149127.5140 298.9880 -143.2935 -104.2709 556378.6743 1.8971 1.6720 PRESSURE: 4920600 -67.8966 -85.9148 -45.7207 -85.9142 47.3565 22.7447 -45.7199 22.7463 86.3286 GPRESSURE: 4920600 -30.4618 -96.6618 35.3457 -138.395 77.4035 89.2326 -133.726 -47.5268 112.505 PRESSAVG: 4920600 -2.53896 0.0236076 2.28686 0.0235943 7.88556 -28.2696 2.28684 -28.2695 9.04517 GPRESSAVG: 4920600 -1.304 -1.63072 3.9153 1.82993 8.14718 -27.4983 2.00285 -27.3247 7.29183 TIMING: 4920600 CPU: 14601.9, 0.00294286/step Wall: 14601.9, 0.00294286/step, 0.0649065 hours remaining, 210.871094 MB of memory in use. ENERGY: 4920600 737.4244 2135.7059 1933.5486 117.4289 -206343.1750 17952.9352 0.0000 0.0000 34272.9794 -149193.1526 299.3145 -183466.1320 -149095.3638 299.1700 21.9295 53.1488 557114.4963 4.7973 4.7117 PRESSURE: 4920800 -98.5294 47.2526 -72.1326 47.253 -130.45 23.6002 -72.133 23.5988 -122.062 GPRESSURE: 4920800 -18.8598 74.5489 -117.212 18.4058 -135.447 22.2807 -78.5593 3.31736 -105.861 PRESSAVG: 4920800 -2.23436 14.0549 -55.5503 14.0549 -17.2372 -10.5287 -55.5503 -10.5288 -13.3341 GPRESSAVG: 4920800 -3.03703 13.8246 -55.1674 14.7621 -17.5505 -12.2692 -56.6944 -10.5596 -12.6511 TIMING: 4920800 CPU: 14602.5, 0.00294577/step Wall: 14602.5, 0.00294577/step, 0.0648069 hours remaining, 210.871094 MB of memory in use. ENERGY: 4920800 708.0851 2073.2319 1929.1657 102.8115 -205892.0999 17553.8639 0.0000 0.0000 34346.1550 -149178.7869 299.9535 -183524.9418 -149078.4495 298.7117 -117.0137 -86.7226 558837.8180 -10.9352 -11.0796 PRESSURE: 4921000 -94.3543 19.6282 -114.225 19.6281 -223.391 -108.403 -114.226 -108.404 -334.981 GPRESSURE: 4921000 -83.1733 -53.2449 -40.6558 32.8839 -190.358 -38.3284 -182.142 -101.78 -298.491 PRESSAVG: 4921000 -16.8498 -9.46745 -41.9542 -9.46748 13.0189 29.2538 -41.9542 29.2538 -24.0817 GPRESSAVG: 4921000 -16.7856 -9.90433 -42.524 -9.95147 13.692 30.6379 -41.0955 28.6909 -25.0566 TIMING: 4921000 CPU: 14603.1, 0.00295581/step Wall: 14603.1, 0.00295581/step, 0.0648636 hours remaining, 210.871094 MB of memory in use. ENERGY: 4921000 749.1702 2092.1116 1937.1166 103.2099 -205917.5618 17542.0398 0.0000 0.0000 34290.2264 -149203.6873 299.4651 -183493.9137 -149107.7578 299.5552 -217.5756 -190.6743 557589.4725 -9.3042 -9.3834 PRESSURE: 4921200 128.194 146.088 62.4544 146.088 335.772 47.7124 62.4535 47.7127 347.577 GPRESSURE: 4921200 250.412 102.866 38.7129 173.8 334.867 -2.85947 26.2299 16.8671 321.029 PRESSAVG: 4921200 11.2399 1.11768 22.8301 1.11763 -1.08626 -4.52765 22.8301 -4.52768 -16.5659 GPRESSAVG: 4921200 11.548 3.21117 23.7673 1.25545 -1.85403 -5.77651 22.6815 -4.02977 -15.5883 TIMING: 4921200 CPU: 14603.7, 0.00296956/step Wall: 14603.7, 0.00296956/step, 0.0650005 hours remaining, 210.871094 MB of memory in use. ENERGY: 4921200 732.8611 2090.5880 1905.8660 129.2553 -206172.9916 17967.9900 0.0000 0.0000 34184.0005 -149162.4307 298.5374 -183346.4312 -149060.1596 299.0557 270.5143 302.1030 556638.5679 -2.1374 -1.9648 PRESSURE: 4921400 205.569 -131.999 -50.7669 -132 177.091 -34.0719 -50.768 -34.0729 62.0898 GPRESSURE: 4921400 198.809 -108.173 39.7946 -127.768 220.891 -83.571 -93.1425 17.2741 122.25 PRESSAVG: 4921400 30.1182 21.4531 -10.6785 21.4531 -21.8605 -60.4296 -10.6787 -60.4295 -17.4648 GPRESSAVG: 4921400 29.5428 19.5626 -11.7288 23.4008 -20.9456 -61.3829 -8.81849 -60.2347 -17.8873 TIMING: 4921400 CPU: 14604.3, 0.0029826/step Wall: 14604.3, 0.0029826/step, 0.06512 hours remaining, 210.871094 MB of memory in use. ENERGY: 4921400 719.0829 2160.9695 1923.6431 108.7875 -206363.1932 17920.8205 0.0000 0.0000 34386.4493 -149143.4404 300.3054 -183529.8897 -149048.0580 299.4690 148.2497 180.6500 556748.6403 -3.0690 -3.0967 PRESSURE: 4921600 22.1193 19.9988 1.94072 19.9988 -84.3103 52.3209 1.94177 52.3216 41.1315 GPRESSURE: 4921600 17.2586 57.8939 43.9361 20.2136 -69.3314 58.1623 21.4616 -46.8018 122.411 PRESSAVG: 4921600 10.6385 -6.55287 37.321 -6.55285 45.7011 -30.4468 37.321 -30.4467 -63.4561 GPRESSAVG: 4921600 10.4086 -5.43813 37.6511 -7.00012 45.6638 -30.6524 36.8353 -30.2838 -63.2949 TIMING: 4921600 CPU: 14604.9, 0.00294633/step Wall: 14604.9, 0.00294633/step, 0.0641646 hours remaining, 210.871094 MB of memory in use. ENERGY: 4921600 767.4636 2112.5942 1935.9422 115.0976 -206474.0713 17964.9521 0.0000 0.0000 34385.9893 -149192.0323 300.3014 -183578.0216 -149097.2623 299.3519 -7.0198 23.4460 558267.7480 -2.3722 -2.4075 PRESSURE: 4921800 -166.873 169.807 33.7342 169.806 -179.193 -102.107 33.7339 -102.108 -319.24 GPRESSURE: 4921800 -116.945 176.195 31.7197 184.748 -173.163 -71.7183 -10.2574 -43.5299 -282.443 PRESSAVG: 4921800 -7.0024 14.1334 5.97925 14.1333 66.0045 6.73183 5.97922 6.73184 -34.166 GPRESSAVG: 4921800 -6.09627 12.01 9.68107 13.8343 65.5214 7.83332 4.65136 6.77092 -34.9945 TIMING: 4921800 CPU: 14605.5, 0.00293299/step Wall: 14605.5, 0.00293299/step, 0.0637111 hours remaining, 210.871094 MB of memory in use. ENERGY: 4921800 747.4557 2049.2073 1938.4271 121.1873 -205758.8206 17489.9991 0.0000 0.0000 34210.9679 -149201.5761 298.7729 -183412.5440 -149103.4251 299.5666 -221.7686 -190.8501 558134.4093 8.2787 8.1435 PRESSURE: 4922000 -129.537 34.8353 -11.1994 34.8359 -108.061 87.771 -11.1998 87.7707 32.6069 GPRESSURE: 4922000 -73.5425 49.8509 61.1945 -3.4207 -70.0448 109.746 8.31463 157.609 43.8297 PRESSAVG: 4922000 13.5964 -9.97194 -30.4923 -9.97198 5.34539 -81.0816 -30.4922 -81.0817 10.4697 GPRESSAVG: 4922000 13.0481 -8.99271 -32.5081 -11.5568 5.33208 -81.7981 -30.6211 -80.8246 11.2043 TIMING: 4922000 CPU: 14606, 0.002933/step Wall: 14606, 0.002933/step, 0.0635483 hours remaining, 210.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4922000 760.2202 2068.6231 1920.2908 112.7263 -205955.7144 17725.7362 0.0000 0.0000 34157.0632 -149211.0545 298.3021 -183368.1178 -149117.4586 299.4720 -68.3306 -33.2525 558746.4673 9.8038 9.8615 PRESSURE: 4922200 -172.374 69.0632 96.1288 69.0639 282.808 66.2402 96.1287 66.2399 -107.57 GPRESSURE: 4922200 -110.052 74.2377 90.1284 34.9604 261.29 66.7135 34.0266 32.4776 -54.6615 PRESSAVG: 4922200 62.5911 27.3387 -49.8687 27.3388 -46.3407 -17.4733 -49.8686 -17.4733 -5.5483 GPRESSAVG: 4922200 62.4512 27.3603 -51.336 28.9038 -46.2661 -17.4751 -48.0503 -17.1264 -5.6105 TIMING: 4922200 CPU: 14606.6, 0.00292406/step Wall: 14606.6, 0.00292406/step, 0.0631921 hours remaining, 210.871094 MB of memory in use. ENERGY: 4922200 772.2350 2136.6580 1926.3881 107.6628 -206461.4822 18090.3111 0.0000 0.0000 34267.8679 -149160.3594 299.2698 -183428.2273 -149069.8450 299.8569 0.9546 32.1919 558795.1095 3.5673 3.5249 PRESSURE: 4922400 -106.97 -29.7571 38.7522 -29.758 44.0781 45.6059 38.7521 45.6053 -98.4575 GPRESSURE: 4922400 -28.5399 -124.62 16.4016 -40.078 14.0307 11.9072 -17.8673 49.7493 -36.9626 PRESSAVG: 4922400 52.1268 -35.1839 3.76568 -35.1838 -26.5809 -13.5177 3.7657 -13.5177 -31.353 GPRESSAVG: 4922400 53.0522 -34.514 5.00997 -36.5899 -27.624 -12.9823 3.89174 -16.5362 -30.6263 TIMING: 4922400 CPU: 14607.2, 0.00291064/step Wall: 14607.2, 0.00291064/step, 0.0627405 hours remaining, 210.871094 MB of memory in use. ENERGY: 4922400 797.5173 2095.1735 1905.3375 109.0113 -206703.5418 18188.0855 0.0000 0.0000 34357.5239 -149250.8928 300.0528 -183608.4167 -149163.5075 299.5703 -53.7832 -17.1573 559134.7840 -1.9357 -1.7327 PRESSURE: 4922600 196.777 -130.21 23.7512 -130.209 210.843 24.3883 23.7518 24.3871 43.5151 GPRESSURE: 4922600 238.593 -153.972 21.5259 -69.1226 249.492 86.0286 62.7393 40.2458 65.0516 PRESSAVG: 4922600 69.2952 23.7702 -35.0771 23.7702 -21.923 38.1883 -35.077 38.1883 -8.6395 GPRESSAVG: 4922600 68.1262 22.2158 -35.5072 26.0023 -20.5545 36.3366 -35.9142 40.0473 -8.59684 TIMING: 4922600 CPU: 14607.8, 0.00291606/step Wall: 14607.8, 0.00291606/step, 0.0626954 hours remaining, 210.871094 MB of memory in use. ENERGY: 4922600 737.8041 2131.1948 1916.7918 110.3364 -206236.0717 17945.3990 0.0000 0.0000 34369.1010 -149025.4446 300.1539 -183394.5456 -148924.3584 299.4317 150.3783 184.3788 557478.0992 12.9109 12.9916 PRESSURE: 4922800 50.7744 171.55 -91.4389 171.551 -159.686 -95.1735 -91.4385 -95.1739 -142.427 GPRESSURE: 4922800 48.7639 193.332 -127.228 153.853 -87.692 -133.403 -41.0982 -54.4465 -119.477 PRESSAVG: 4922800 10.3105 11.0827 -9.70295 11.0827 43.154 -28.3755 -9.70295 -28.3755 -13.0925 GPRESSAVG: 4922800 11.0114 12.931 -9.09863 10.6731 43.5215 -26.1811 -11.2294 -28.128 -13.8094 TIMING: 4922800 CPU: 14608.4, 0.00294965/step Wall: 14608.4, 0.00294965/step, 0.0632536 hours remaining, 210.871094 MB of memory in use. ENERGY: 4922800 792.3621 2065.2943 1951.0842 118.6792 -206411.8877 17946.9826 0.0000 0.0000 34453.1457 -149084.3396 300.8879 -183537.4853 -148986.5172 299.7747 -83.7796 -52.8018 559612.3723 13.4574 13.5745 PRESSURE: 4923000 -118.095 -44.4788 0.148083 -44.478 42.0346 157.862 0.147953 157.862 -179.161 GPRESSURE: 4923000 -85.2541 -32.763 7.31493 -89.3148 75.9973 65.911 -4.28837 133.695 -146.202 PRESSAVG: 4923000 -43.7097 19.6769 19.2246 19.6769 17.4647 -19.2193 19.2245 -19.2193 14.2964 GPRESSAVG: 4923000 -43.6498 18.3135 17.7469 19.6788 16.6877 -19.6385 20.5811 -18.4653 14.6298 TIMING: 4923000 CPU: 14609, 0.00293733/step Wall: 14609, 0.00293733/step, 0.0628262 hours remaining, 210.871094 MB of memory in use. ENERGY: 4923000 751.7827 2109.7709 1923.3843 122.8574 -206126.6330 17830.9242 0.0000 0.0000 34335.5325 -149052.3810 299.8607 -183387.9135 -148950.3072 299.5932 -85.0737 -51.8197 559445.4580 -3.9829 -4.1108 PRESSURE: 4923200 132.119 -38.1998 -79.0496 -38.1995 206.17 -49.0633 -79.0504 -49.0647 201.305 GPRESSURE: 4923200 173.036 -51.3415 -100.934 26.1321 252.158 -104.9 -102.866 4.50716 196.131 PRESSAVG: 4923200 -40.0411 -19.97 -6.09338 -19.97 20.0886 -27.8984 -6.09344 -27.8983 -0.731142 GPRESSAVG: 4923200 -39.8837 -19.7467 -6.31141 -20.6423 20.9698 -27.0634 -6.40515 -28.7766 -2.20141 TIMING: 4923200 CPU: 14609.6, 0.0029263/step Wall: 14609.6, 0.0029263/step, 0.0624276 hours remaining, 210.871094 MB of memory in use. ENERGY: 4923200 722.0511 2132.6380 1910.8856 132.0032 -206273.5945 18106.9721 0.0000 0.0000 34295.5849 -148973.4595 299.5119 -183269.0444 -148868.9607 299.9002 179.8646 207.1085 558134.3142 -6.8945 -7.0384 PRESSURE: 4923400 378.263 2.74091 54.0051 2.74104 338.747 67.7831 54.0054 67.7823 282.492 GPRESSURE: 4923400 397.703 -9.45597 113.238 -6.74857 375.624 67.7449 -55.0248 62.6779 316.936 PRESSAVG: 4923400 0.367162 36.4845 0.187606 36.4846 -22.2284 -0.124268 0.187521 -0.124353 52.5717 GPRESSAVG: 4923400 0.547727 36.6806 0.496649 37.0936 -23.3118 0.196351 0.380652 -0.650011 53.507 TIMING: 4923400 CPU: 14610.1, 0.00294233/step Wall: 14610.1, 0.00294233/step, 0.0626062 hours remaining, 210.871094 MB of memory in use. ENERGY: 4923400 734.2350 2114.9259 1903.9800 117.7374 -206452.7472 18173.8016 0.0000 0.0000 34318.0057 -149090.0616 299.7077 -183408.0673 -148993.9804 300.5820 333.1671 363.4211 557064.9304 10.2368 10.2477 PRESSURE: 4923600 79.4708 -61.6355 26.4948 -61.6352 -81.9751 -49.1316 26.4948 -49.1327 -26.3162 GPRESSURE: 4923600 113.049 -42.462 -65.0265 -52.0468 -65.1387 -55.8115 59.9543 -55.8284 16.9646 PRESSAVG: 4923600 28.0315 -27.1409 -51.3191 -27.1409 -73.5738 -16.8684 -51.3191 -16.8683 26.7225 GPRESSAVG: 4923600 26.9647 -26.9033 -51.5236 -26.7747 -71.8364 -17.9555 -51.0041 -16.2958 25.8524 TIMING: 4923600 CPU: 14610.7, 0.0029402/step Wall: 14610.7, 0.0029402/step, 0.0623976 hours remaining, 210.871094 MB of memory in use. ENERGY: 4923600 727.0848 2052.5217 1922.5030 105.1579 -206106.3535 17693.9751 0.0000 0.0000 34346.5649 -149258.5461 299.9571 -183605.1110 -149165.5855 299.5872 -9.6068 21.6251 556932.6101 -6.2733 -6.3398 PRESSURE: 4923800 353.76 -6.398 46.7332 -6.39948 -22.7418 -304.746 46.7346 -304.746 157.916 GPRESSURE: 4923800 366.37 -24.7674 21.7894 -20.4911 34.4162 -344.5 6.23736 -229.47 176.725 PRESSAVG: 4923800 44.3817 -30.5643 -30.575 -30.5643 -32.9975 10.6992 -30.575 10.6992 1.65018 GPRESSAVG: 4923800 43.7677 -31.2891 -29.9628 -31.7747 -33.2178 10.9127 -32.3589 10.5362 2.62285 TIMING: 4923800 CPU: 14611.3, 0.00291455/step Wall: 14611.3, 0.00291455/step, 0.0616913 hours remaining, 210.871094 MB of memory in use. ENERGY: 4923800 724.0792 2063.5311 1927.8729 114.0899 -206597.4474 18024.2654 0.0000 0.0000 34371.4427 -149372.1663 300.1744 -183743.6091 -149271.8845 299.4941 162.9781 192.5037 556947.9196 4.3448 4.3909 PRESSURE: 4924000 90.6525 170.528 35.1488 170.528 34.0255 -40.1188 35.1493 -40.1179 -40.8727 GPRESSURE: 4924000 176.542 75.6632 8.49769 123.181 37.2259 0.834436 42.5675 -40.9696 -36.4333 PRESSAVG: 4924000 41.3166 6.54249 -59.3707 6.54245 -60.8418 -11.8841 -59.3707 -11.884 24.0257 GPRESSAVG: 4924000 42.1203 5.7508 -59.3685 6.70817 -61.5277 -11.7166 -57.6593 -13.2715 23.5482 TIMING: 4924000 CPU: 14611.9, 0.00293501/step Wall: 14611.9, 0.00293501/step, 0.0619614 hours remaining, 210.871094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4924000 740.0010 2088.0768 1918.4571 108.9193 -206217.1143 17818.1792 0.0000 0.0000 34241.6806 -149301.8003 299.0411 -183543.4808 -149214.4539 298.5961 27.9351 59.1115 555606.1348 1.5001 1.3803 PRESSURE: 4924200 -58.2293 48.8512 -2.49613 48.8498 6.23259 117.505 -2.49625 117.505 88.3061 GPRESSURE: 4924200 -33.5082 140.632 -59.2223 66.3299 54.8398 114.066 -62.8689 122.739 112.98 PRESSAVG: 4924200 0.618958 25.8694 16.5995 25.8695 19.6811 -42.9365 16.5995 -42.9365 18.0889 GPRESSAVG: 4924200 -0.318384 27.4855 16.2112 25.1615 21.453 -43.5062 16.107 -41.2919 17.3364 TIMING: 4924200 CPU: 14612.5, 0.00294592/step Wall: 14612.5, 0.00294592/step, 0.062028 hours remaining, 210.871094 MB of memory in use. ENERGY: 4924200 779.8675 2072.4389 1947.0300 111.7244 -206339.7495 17781.3467 0.0000 0.0000 34287.1370 -149360.2050 299.4381 -183647.3421 -149263.2935 298.4031 12.1031 44.7706 555970.8123 12.7963 12.8237 LDB: ============= START OF LOAD BALANCING ============== 14616 LDB: ============== END OF LOAD BALANCING =============== 14616 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14616 LDB: ============= START OF LOAD BALANCING ============== 14616.3 LDB: Largest compute 4801 load 0.021746 is 18.4% of average load 0.118292 LDB: Average compute 0.001721 is 1.5% of average load 0.118292 LDB: TIME 14616.3 LOAD: AVG 0.118292 MAX 0.19639 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.375 MB LDB: TIME 14616.3 LOAD: AVG 0.118292 MAX 0.19639 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.582 MB LDB: TIME 14616.3 LOAD: AVG 0.118292 MAX 0.19639 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.582 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14616.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14616.3 PRESSURE: 4924400 28.6045 108.707 127.001 108.708 96.4394 -57.0774 127.002 -57.0767 -6.65603 GPRESSURE: 4924400 52.4766 173.886 71.1726 154.202 125.639 -97.5766 125.408 -49.4665 48.232 PRESSAVG: 4924400 4.99614 -14.8623 -62.6788 -14.8623 -5.87211 -14.0693 -62.6788 -14.0695 -6.43229 GPRESSAVG: 4924400 6.11657 -15.2666 -61.7745 -12.474 -8.32359 -13.5105 -61.9547 -14.8313 -5.54069 TIMING: 4924400 CPU: 14613.1, 0.00300261/step Wall: 14613.1, 0.00300261/step, 0.0630549 hours remaining, 207.839844 MB of memory in use. ENERGY: 4924400 767.2743 2058.1908 1948.6558 108.1544 -206560.6411 17979.8783 0.0000 0.0000 34324.6528 -149373.8347 299.7657 -183698.4875 -149273.4949 299.1517 39.4626 75.4491 557579.8353 -2.4361 -2.5826 PRESSURE: 4924600 -80.5751 71.2402 -51.7461 71.2391 -141.313 88.0924 -51.7457 88.0941 -47.3253 GPRESSURE: 4924600 -100.667 70.0668 -57.075 3.80242 -50.3971 23.9026 -34.0952 39.0417 -24.1333 PRESSAVG: 4924600 -52.0364 33.3001 13.2754 33.3001 78.6516 -23.1603 13.2753 -23.1604 -17.2904 GPRESSAVG: 4924600 -53.3388 32.989 10.1709 31.5555 80.4677 -24.7774 14.848 -22.6675 -18.0212 TIMING: 4924600 CPU: 14613.7, 0.00292245/step Wall: 14613.7, 0.00292245/step, 0.061209 hours remaining, 207.839844 MB of memory in use. ENERGY: 4924600 790.3113 2093.9250 1943.4174 109.8516 -206565.2437 17994.6987 0.0000 0.0000 34347.5044 -149285.5354 299.9653 -183633.0398 -149185.2849 299.3539 -89.7379 -58.3991 558224.5311 3.1082 3.0359 PRESSURE: 4924800 -55.855 -96.5331 -78.9651 -96.5323 -20.6713 -9.12069 -78.965 -9.12163 -215.522 GPRESSURE: 4924800 33.5914 -179.204 -26.0917 -62.8907 -42.5969 -9.27195 -103.508 17.599 -188.117 PRESSAVG: 4924800 -23.3899 29.2857 52.35 29.2856 -22.1538 -13.2952 52.3501 -13.2952 34.2978 GPRESSAVG: 4924800 -21.9413 27.5952 56.5218 29.9536 -23.6246 -12.1987 49.6111 -12.0094 33.5134 TIMING: 4924800 CPU: 14614.3, 0.00293559/step Wall: 14614.3, 0.00293559/step, 0.0613212 hours remaining, 207.839844 MB of memory in use. ENERGY: 4924800 740.6053 2078.8202 1927.3290 119.2272 -206236.1973 17860.7195 0.0000 0.0000 34195.0551 -149314.4409 298.6339 -183509.4960 -149217.8217 299.5235 -97.3494 -65.7076 559857.4307 -3.7486 -4.0175 PRESSURE: 4925000 108.671 -88.0341 43.5437 -88.0347 54.2917 -85.0023 43.5441 -85.0032 -367.887 GPRESSURE: 4925000 118.434 -56.3524 82.7875 -142.768 75.0951 -35.9345 -55.4901 -79.9288 -310.697 PRESSAVG: 4925000 -7.2366 6.84276 0.239222 6.84273 -3.2741 -23.1448 0.239201 -23.1446 -18.2595 GPRESSAVG: 4925000 -7.09215 7.91424 -1.03012 3.87138 -3.6056 -24.4878 1.61369 -22.0156 -17.9312 TIMING: 4925000 CPU: 14614.8, 0.00293749/step Wall: 14614.8, 0.00293749/step, 0.0611977 hours remaining, 207.839844 MB of memory in use. ENERGY: 4925000 769.7547 2082.9778 1905.0657 102.2836 -206397.7037 17850.8858 0.0000 0.0000 34251.8899 -149434.8461 299.1303 -183686.7360 -149340.9401 298.7266 -68.3079 -39.0560 558944.5371 -9.5901 -9.5430 PRESSURE: 4925200 -117.768 -59.0327 33.6228 -59.0328 106.375 -151.481 33.6234 -151.483 133.264 GPRESSURE: 4925200 -105.404 -35.3979 31.2684 -79.1218 189.286 -140.491 -13.2233 -222.82 130.749 PRESSAVG: 4925200 -1.92157 23.101 -23.4458 23.101 20.9509 -57.6823 -23.4458 -57.6823 -37.0052 GPRESSAVG: 4925200 -2.35701 24.5526 -24.3703 25.2154 20.7694 -55.6563 -23.801 -61.1726 -36.487 TIMING: 4925200 CPU: 14615.4, 0.00294002/step Wall: 14615.4, 0.00294002/step, 0.0610871 hours remaining, 207.839844 MB of memory in use. ENERGY: 4925200 777.2100 2037.7165 1899.5328 111.3693 -206444.5811 17970.2636 0.0000 0.0000 34250.3337 -149398.1553 299.1167 -183648.4889 -149293.1893 299.1220 40.6238 71.5438 557855.4999 -5.9920 -6.0249 PRESSURE: 4925400 -130.808 -41.955 19.9335 -41.9556 130.643 -6.2406 19.9328 -6.24077 72.941 GPRESSURE: 4925400 -103.603 -48.1419 13.4497 41.6878 97.9663 5.79298 27.3894 -54.8551 175.802 PRESSAVG: 4925400 -8.69531 -25.067 -16.481 -25.0671 -44.2376 -67.006 -16.4811 -67.0061 65.6 GPRESSAVG: 4925400 -9.15419 -27.1352 -16.6977 -25.8476 -44.4142 -68.516 -18.3659 -66.1127 66.0667 TIMING: 4925400 CPU: 14616, 0.00292825/step Wall: 14616, 0.00292825/step, 0.0606799 hours remaining, 207.839844 MB of memory in use. ENERGY: 4925400 787.3399 2097.0279 1922.3910 109.3006 -206472.0969 18004.2916 0.0000 0.0000 34174.1995 -149377.5464 298.4518 -183551.7459 -149281.9090 298.4052 24.2587 56.7219 558099.0923 4.2224 4.1661 PRESSURE: 4925600 179.332 -125.16 -27.6464 -125.16 340.775 -58.3265 -27.6455 -58.3233 85.4311 GPRESSURE: 4925600 227.171 -47.0804 -119.344 -111.47 335.964 -0.845913 6.10859 -41.7462 133.644 PRESSAVG: 4925600 -3.87428 18.3681 -11.635 18.368 -10.6732 -34.7739 -11.635 -34.7738 34.6251 GPRESSAVG: 4925600 -4.23025 19.2933 -11.771 18.9945 -11.201 -34.7211 -9.83892 -34.3276 34.5478 TIMING: 4925600 CPU: 14616.6, 0.00296097/step Wall: 14616.6, 0.00296097/step, 0.0611933 hours remaining, 207.839844 MB of memory in use. ENERGY: 4925600 735.1875 2073.2918 1916.3290 109.6354 -206646.2604 18185.9571 0.0000 0.0000 34417.4476 -149208.4121 300.5761 -183625.8596 -149109.2689 299.2521 201.8458 232.2593 558451.3361 6.6925 6.3722 PRESSURE: 4925800 -199.386 -15.4039 71.7728 -15.4038 -61.2662 4.31316 71.772 4.31262 18.0778 GPRESSURE: 4925800 -198.068 -61.325 24.7691 29.353 13.9235 -2.70479 84.5635 59.9448 48.8577 PRESSAVG: 4925800 -8.25494 47.0647 33.1569 47.0647 -19.6665 -21.9582 33.157 -21.9581 -10.7058 GPRESSAVG: 4925800 -8.74314 46.7216 33.293 48.5186 -18.9655 -21.9794 31.8834 -21.3068 -10.517 TIMING: 4925800 CPU: 14617.2, 0.00296016/step Wall: 14617.2, 0.00296016/step, 0.0610122 hours remaining, 207.839844 MB of memory in use. ENERGY: 4925800 760.7332 2085.7378 1929.4619 120.3841 -206332.9402 17751.4392 0.0000 0.0000 34237.6836 -149447.5004 299.0062 -183685.1840 -149350.7101 299.3202 -80.8580 -45.0956 558083.1671 -12.8757 -12.7419 PRESSURE: 4926000 59.5551 127.539 -100.096 127.538 19.7827 34.4034 -100.096 34.4035 147.54 GPRESSURE: 4926000 77.788 148.062 -149.326 90.8106 83.2992 7.15976 -112.415 24.2172 174.1 PRESSAVG: 4926000 -122.7 34.8459 13.8519 34.8459 22.866 -32.0254 13.8521 -32.0254 83.0393 GPRESSAVG: 4926000 -122.488 35.2027 12.6142 35.798 23.408 -31.1244 16.963 -32.2517 82.3325 TIMING: 4926000 CPU: 14617.8, 0.0029778/step Wall: 14617.8, 0.0029778/step, 0.0612103 hours remaining, 207.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4926000 787.1849 2093.0071 1931.9445 135.1643 -206412.2964 18029.9053 0.0000 0.0000 34169.9339 -149265.1564 298.4145 -183435.0903 -149166.1722 298.7988 75.6258 111.7290 558575.4356 -5.5982 -5.5826 PRESSURE: 4926200 87.8631 8.72002 79.9842 8.71925 93.655 32.851 79.984 32.8496 339.374 GPRESSURE: 4926200 178.995 59.0722 -3.32841 -110.172 68.8465 43.3474 94.4383 25.8256 350.602 PRESSAVG: 4926200 -55.4386 27.7004 -30.8021 27.7004 3.22122 7.26677 -30.8021 7.26673 36.8694 GPRESSAVG: 4926200 -54.7557 27.5029 -29.1633 27.1618 2.33327 7.45946 -32.7214 5.94968 37.073 TIMING: 4926200 CPU: 14618.4, 0.0029925/step Wall: 14618.4, 0.00299251/step, 0.0613464 hours remaining, 207.839844 MB of memory in use. ENERGY: 4926200 753.1711 2094.0444 1926.9728 120.4507 -206812.6487 18196.9322 0.0000 0.0000 34461.7200 -149259.3574 300.9628 -183721.0775 -149158.6862 299.3815 173.6305 199.4813 557402.4865 -5.1160 -5.1165 PRESSURE: 4926400 144.734 224.421 -47.1103 224.421 81.2256 -46.9249 -47.1107 -46.9266 33.5628 GPRESSURE: 4926400 161.262 197.984 -148.476 240.577 128.62 -35.2106 -61.6115 -29.6332 83.9463 PRESSAVG: 4926400 14.0728 45.2069 -35.1208 45.207 -8.65071 10.2711 -35.1208 10.2711 3.59085 GPRESSAVG: 4926400 14.6131 44.5457 -34.2215 45.157 -9.11931 10.8093 -35.3647 9.40171 3.78506 TIMING: 4926400 CPU: 14619, 0.00294319/step Wall: 14619, 0.00294319/step, 0.0601718 hours remaining, 207.839844 MB of memory in use. ENERGY: 4926400 703.6476 2031.2964 1924.8589 113.6568 -206387.9162 18066.4185 0.0000 0.0000 34284.7000 -149263.3381 299.4168 -183548.0381 -149172.0693 300.0839 86.5073 124.6095 559195.4722 3.0043 3.0929 PRESSURE: 4926600 -33.7048 -127.524 38.4105 -127.524 170.571 -20.0669 38.4096 -20.0677 33.3234 GPRESSURE: 4926600 10.1684 -59.5475 17.5034 -104.016 162.167 -29.872 22.6967 -13.7218 88.6367 PRESSAVG: 4926600 15.5955 29.1518 -6.31272 29.1518 36.1333 -40.9334 -6.31272 -40.9334 -47.2929 GPRESSAVG: 4926600 14.7988 28.7867 -4.94127 26.9318 36.8567 -41.1502 -7.92532 -39.79 -47.5123 TIMING: 4926600 CPU: 14619.6, 0.00295912/step Wall: 14619.6, 0.00295912/step, 0.0603331 hours remaining, 207.839844 MB of memory in use. ENERGY: 4926600 727.8239 2069.7724 1950.1495 116.3775 -206297.1015 17927.7633 0.0000 0.0000 34094.9270 -149410.2879 297.7595 -183505.2149 -149316.1175 298.3934 56.7298 86.9906 557875.8831 1.4787 1.3811 PRESSURE: 4926800 111.268 86.8786 -93.5096 86.878 197.343 72.5848 -93.5091 72.5853 -127.395 GPRESSURE: 4926800 143.124 57.8679 -101.715 38.0988 191.899 119.15 -28.397 37.8424 -67.0782 PRESSAVG: 4926800 75.2644 37.2083 -6.18613 37.2084 57.4299 -27.2979 -6.18617 -27.2979 -128.961 GPRESSAVG: 4926800 75.1806 35.6837 -6.57088 37.8902 57.2817 -27.8246 -5.49671 -25.8649 -129.374 TIMING: 4926800 CPU: 14620.2, 0.00295407/step Wall: 14620.2, 0.00295407/step, 0.0600662 hours remaining, 207.839844 MB of memory in use. ENERGY: 4926800 737.7862 2034.4769 1927.4864 103.6880 -206557.7291 18049.8980 0.0000 0.0000 34270.6704 -149433.7231 299.2943 -183704.3935 -149335.4119 298.6182 60.4052 89.3151 558435.4704 1.2443 1.0294 PRESSURE: 4927000 -309.012 -42.1484 -14.9914 -42.1487 -64.3874 -51.8416 -14.9927 -51.8411 -117.261 GPRESSURE: 4927000 -286.693 -18.9705 -52.6338 -50.6566 -61.9469 -89.8721 -50.6539 -75.8485 -41.8717 PRESSAVG: 4927000 3.43319 70.599 7.15176 70.599 2.41357 -1.08604 7.15168 -1.08606 -1.79738 GPRESSAVG: 4927000 4.39192 71.278 6.62559 70.4857 0.813322 0.135778 6.71571 -0.563544 -1.0035 TIMING: 4927000 CPU: 14620.8, 0.00293183/step Wall: 14620.8, 0.00293184/step, 0.0594511 hours remaining, 207.839844 MB of memory in use. ENERGY: 4927000 745.4759 2087.0987 1925.4880 118.7609 -206351.2236 17689.8153 0.0000 0.0000 34356.3882 -149428.1966 300.0429 -183784.5848 -149330.6782 299.1238 -163.5533 -130.1706 557457.6604 1.3498 1.4006 PRESSURE: 4927200 -50.9642 105.757 4.11709 105.756 -238.016 42.5352 4.11768 42.5355 -332.356 GPRESSURE: 4927200 -35.9971 85.2717 -47.2114 108.325 -251.914 10.2936 103.3 50.6063 -227.738 PRESSAVG: 4927200 26.2832 -8.30461 -16.8785 -8.30465 -45.0358 61.2221 -16.8784 61.222 37.7865 GPRESSAVG: 4927200 24.2667 -6.28525 -15.1146 -8.40433 -42.9063 59.6189 -16.9838 60.1866 37.314 TIMING: 4927200 CPU: 14621.3, 0.00295119/step Wall: 14621.3, 0.00295119/step, 0.0596797 hours remaining, 207.839844 MB of memory in use. ENERGY: 4927200 770.2789 2133.9149 1906.6735 114.5584 -206500.7022 17722.2062 0.0000 0.0000 34454.1484 -149398.9219 300.8966 -183853.0703 -149307.4513 298.8663 -207.1120 -171.8831 558170.1622 6.3446 6.2248 PRESSURE: 4927400 95.5393 -182.695 94.5978 -182.693 -52.1792 88.481 94.5981 88.482 -305.228 GPRESSURE: 4927400 123.419 -168.843 120.296 -185.595 -19.749 79.9371 51.53 139.161 -259.318 PRESSAVG: 4927400 12.8892 1.63046 -41.3585 1.63042 37.9122 14.1524 -41.3585 14.1525 -58.2023 GPRESSAVG: 4927400 13.2417 1.78892 -42.0805 0.802401 36.9079 16.1834 -41.2318 13.0736 -57.8653 TIMING: 4927400 CPU: 14621.9, 0.00293782/step Wall: 14621.9, 0.00293782/step, 0.0592461 hours remaining, 207.839844 MB of memory in use. ENERGY: 4927400 775.0488 2092.5942 1946.9490 120.3223 -206606.5893 17816.4304 0.0000 0.0000 34286.7297 -149568.5150 299.4345 -183855.2447 -149469.8546 298.5382 -87.2893 -51.8826 557898.1741 -2.4670 -2.5719 PRESSURE: 4927600 -183.894 -6.74027 -134.79 -6.73841 227.346 -6.12878 -134.79 -6.1309 215.111 GPRESSURE: 4927600 -162.656 16.3083 -124.57 -14.5241 298.989 -9.02367 -71.7525 6.17337 215.962 PRESSAVG: 4927600 -1.41543 -30.5866 33.4031 -30.5865 -52.3227 21.9959 33.4032 21.9959 35.1463 GPRESSAVG: 4927600 -1.47138 -31.0385 32.5115 -28.6156 -51.6149 20.0698 35.5825 22.4312 35.1033 TIMING: 4927600 CPU: 14622.5, 0.00296441/step Wall: 14622.5, 0.00296441/step, 0.0596176 hours remaining, 207.839844 MB of memory in use. ENERGY: 4927600 743.2396 2103.3492 1938.2760 117.3348 -206483.8157 18026.0412 0.0000 0.0000 34102.2927 -149453.2822 297.8238 -183555.5749 -149351.9728 298.7359 86.1876 117.4314 556839.2597 -6.1973 -5.9943 PRESSURE: 4927800 -29.0736 16.4025 -66.4532 16.402 76.3218 162.759 -66.4532 162.758 -166.622 GPRESSURE: 4927800 17.5018 72.0364 -35.4556 -21.8609 83.9607 201.346 -100.833 61.7846 -130.573 PRESSAVG: 4927800 1.17493 15.6114 10.1294 15.6113 62.7888 9.76516 10.1295 9.76512 -50.6041 GPRESSAVG: 4927800 1.19849 15.5169 8.53468 13.8576 62.8791 10.7455 8.70035 10.5091 -50.6771 TIMING: 4927800 CPU: 14623.1, 0.00297797/step Wall: 14623.1, 0.00297797/step, 0.0597249 hours remaining, 207.839844 MB of memory in use. ENERGY: 4927800 763.0653 2117.8926 1926.7560 102.8377 -206435.6974 17790.1526 0.0000 0.0000 34349.2952 -149385.6981 299.9809 -183734.9932 -149294.5057 298.5331 -39.7914 -9.7035 557590.0793 4.4532 4.4668 PRESSURE: 4928000 122.351 110.358 -70.5261 110.358 45.6614 -11.2999 -70.5251 -11.2992 68.5384 GPRESSURE: 4928000 150.485 28.0033 -2.48456 174.316 89.3249 1.63085 -81.3964 -17.0249 90.2198 PRESSAVG: 4928000 -38.8443 -19.0606 -2.62449 -19.0606 35.1038 3.62137 -2.62455 3.62132 -6.00554 GPRESSAVG: 4928000 -38.9459 -19.5476 -2.05052 -17.7175 34.5345 1.71368 -2.94216 4.4752 -5.39245 TIMING: 4928000 CPU: 14623.7, 0.0029598/step Wall: 14623.7, 0.0029598/step, 0.059196 hours remaining, 207.839844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4928000 755.5907 2107.8704 1923.5737 127.1384 -206338.4383 18015.4007 0.0000 0.0000 34262.6345 -149146.2299 299.2241 -183408.8644 -149052.6930 298.6913 78.8504 110.0097 559110.8892 -3.2487 -3.2680 PRESSURE: 4928200 89.4999 -120.46 -81.0899 -120.46 -234.846 -3.79874 -81.0888 -3.79869 -289.342 GPRESSURE: 4928200 39.2128 -64.6245 -96.1903 -60.858 -154.198 34.209 -105.243 53.2757 -220.024 PRESSAVG: 4928200 -9.09454 -5.25701 36.6078 -5.25696 16.1011 56.1608 36.6078 56.161 -47.5533 GPRESSAVG: 4928200 -8.9093 -5.21537 37.1806 -4.38237 16.7287 56.6173 36.6916 55.3105 -48.1451 TIMING: 4928200 CPU: 14624.3, 0.00294149/step Wall: 14624.3, 0.00294149/step, 0.0586663 hours remaining, 207.839844 MB of memory in use. ENERGY: 4928200 746.2613 2114.1216 1940.3673 115.3623 -206252.3828 17842.2847 0.0000 0.0000 34215.2614 -149278.7242 298.8104 -183493.9857 -149185.8879 298.8202 -144.8958 -111.6695 559535.2279 -13.5156 -13.4419 LDB: ============= START OF LOAD BALANCING ============== 14627.8 LDB: ============== END OF LOAD BALANCING =============== 14627.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14627.8 LDB: ============= START OF LOAD BALANCING ============== 14628.1 LDB: Largest compute 4801 load 0.022580 is 19.1% of average load 0.118244 LDB: Average compute 0.001727 is 1.5% of average load 0.118244 LDB: TIME 14628.1 LOAD: AVG 0.118244 MAX 0.197216 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.547 MB LDB: TIME 14628.1 LOAD: AVG 0.118244 MAX 0.197216 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.609 MB LDB: TIME 14628.1 LOAD: AVG 0.118244 MAX 0.197216 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.609 MB LDB: ============== END OF LOAD BALANCING =============== 14628.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14628.2 PRESSURE: 4928400 -11.3442 36.265 81.7211 36.2654 181.704 -31.4755 81.7222 -31.475 -248.979 GPRESSURE: 4928400 -12.488 80.0799 18.7993 3.32083 243.925 -1.89659 164.205 -23.4975 -213.319 PRESSAVG: 4928400 31.5058 19.8177 -8.35826 19.8178 -29.5363 -23.1464 -8.35828 -23.1465 -32.812 GPRESSAVG: 4928400 30.5095 19.4255 -8.13768 17.7371 -29.5813 -20.8813 -9.39829 -23.9865 -31.2788 TIMING: 4928400 CPU: 14624.9, 0.00300796/step Wall: 14624.9, 0.00300796/step, 0.0598249 hours remaining, 208.484375 MB of memory in use. ENERGY: 4928400 728.3144 2123.5087 1931.4382 118.5357 -206142.8343 17773.2641 0.0000 0.0000 34225.9117 -149241.8616 298.9034 -183467.7733 -149142.4854 298.7973 -26.2063 6.0394 558710.8559 -10.2808 -10.1169 PRESSURE: 4928600 -8.74536 -64.3997 -82.9079 -64.3989 322.824 -2.11488 -82.9065 -2.11481 20.644 GPRESSURE: 4928600 106.143 63.2387 18.3279 -110.396 278.348 -95.2366 -156.119 81.0527 59.0188 PRESSAVG: 4928600 30.7457 -52.2265 24.5361 -52.2265 -15.1401 -11.0529 24.5361 -11.053 50.0843 GPRESSAVG: 4928600 31.5318 -51.5901 25.3532 -50.8246 -14.7066 -14.0024 24.2606 -10.5365 48.7319 TIMING: 4928600 CPU: 14625.5, 0.00296858/step Wall: 14625.5, 0.00296858/step, 0.0588769 hours remaining, 208.687500 MB of memory in use. ENERGY: 4928600 718.4433 2099.8901 1943.0824 116.2348 -205999.6390 17867.8422 0.0000 0.0000 34031.4158 -149222.7303 297.2048 -183254.1461 -149124.7184 299.2639 111.5741 147.8367 558385.6088 21.8966 21.8524 PRESSURE: 4928800 -237.392 80.1346 164.452 80.1358 -489.231 -169.482 164.452 -169.48 -58.282 GPRESSURE: 4928800 -247.372 141.061 170.295 8.85355 -436.103 -171.464 100.867 -77.1707 -10.7057 PRESSAVG: 4928800 64.7452 -2.07957 1.14319 -2.07965 -36.3415 -24.0419 1.14332 -24.0419 11.2959 GPRESSAVG: 4928800 64.4893 -1.26923 2.29376 -3.71492 -36.8427 -22.0818 1.92535 -23.4834 12.5345 TIMING: 4928800 CPU: 14626.1, 0.00296712/step Wall: 14626.1, 0.00296712/step, 0.058683 hours remaining, 208.687500 MB of memory in use. ENERGY: 4928800 731.9666 2052.6265 1921.1458 112.2805 -205642.5384 17425.1759 0.0000 0.0000 34346.7405 -149052.6026 299.9586 -183399.3431 -148947.6754 298.9201 -261.6347 -231.3935 559980.6958 13.2332 13.3937 PRESSURE: 4929000 -125.688 43.6973 12.2009 43.698 52.3189 127.845 12.2011 127.845 -29.8958 GPRESSURE: 4929000 -60.3783 32.9229 3.2275 79.1732 44.6572 141.581 -10.8657 96.1474 2.72218 PRESSAVG: 4929000 52.1904 27.5923 -3.94772 27.5923 -8.79505 -10.6896 -3.9477 -10.6897 -9.86047 GPRESSAVG: 4929000 53.2712 26.2597 -5.04722 29.7422 -8.01913 -12.8209 -2.27139 -10.5065 -11.5232 TIMING: 4929000 CPU: 14626.7, 0.00295084/step Wall: 14626.7, 0.00295084/step, 0.0581972 hours remaining, 208.687500 MB of memory in use. ENERGY: 4929000 758.5982 2049.8792 1927.5895 116.8175 -206101.0189 17820.9044 0.0000 0.0000 34277.3635 -149149.8666 299.3527 -183427.2301 -149057.9826 299.5243 -34.4216 -4.3330 557570.5922 11.1783 11.2429 PRESSURE: 4929200 122.701 22.4511 -85.2717 22.4497 148.841 -37.0579 -85.2735 -37.0548 -118.022 GPRESSURE: 4929200 165.228 29.6961 -59.4986 16.0755 143.465 -30.1638 -154.236 33.9325 -66.0506 PRESSAVG: 4929200 10.5584 2.31775 7.69032 2.31775 21.5586 7.92121 7.69037 7.92118 -44.1444 GPRESSAVG: 4929200 10.7565 0.965454 8.60424 1.15708 20.1065 9.12753 4.40983 7.72227 -42.7332 TIMING: 4929200 CPU: 14627.3, 0.00295855/step Wall: 14627.3, 0.00295855/step, 0.0581847 hours remaining, 208.687500 MB of memory in use. ENERGY: 4929200 747.0012 2074.0385 1941.9228 121.9211 -206480.5013 17894.0599 0.0000 0.0000 34471.4973 -149230.0605 301.0482 -183701.5578 -149134.6800 299.5297 51.1731 80.8807 556874.8335 -4.0091 -3.9567 PRESSURE: 4929400 176.661 -18.6496 -93.6894 -18.6488 288.083 57.805 -93.6896 57.8042 169.405 GPRESSURE: 4929400 196.221 38.9162 -138.001 -97.503 345.878 -6.47392 -57.5036 95.3075 170.906 PRESSAVG: 4929400 27.8442 -35.0947 19.6327 -35.0946 23.1023 28.6504 19.6327 28.6503 -40.4914 GPRESSAVG: 4929400 28.7361 -33.2187 19.901 -38.4958 22.9003 27.0197 19.9664 29.4443 -41.6599 TIMING: 4929400 CPU: 14627.9, 0.00295679/step Wall: 14627.9, 0.00295679/step, 0.0579859 hours remaining, 208.687500 MB of memory in use. ENERGY: 4929400 707.9230 2049.9985 1941.2472 125.2702 -206408.7945 17975.5043 0.0000 0.0000 34433.1094 -149175.7419 300.7129 -183608.8513 -149084.1297 298.9851 211.3826 237.6682 557327.0114 3.4850 3.3255 PRESSURE: 4929600 14.159 -147.115 123.451 -147.114 -61.9034 42.7285 123.451 42.7295 67.8169 GPRESSURE: 4929600 68.395 -156.727 115.595 -148.053 -20.6759 43.5156 55.311 50.3987 80.5715 PRESSAVG: 4929600 -34.079 -20.6471 6.28828 -20.6472 23.9189 12.6002 6.28825 12.6001 -2.76719 GPRESSAVG: 4929600 -34.7618 -20.9727 4.9964 -16.1606 24.2672 12.5069 7.01705 10.5091 -2.56732 TIMING: 4929600 CPU: 14628.5, 0.0029383/step Wall: 14628.5, 0.0029383/step, 0.0574602 hours remaining, 208.687500 MB of memory in use. ENERGY: 4929600 717.2090 2040.7909 1935.5698 108.6348 -206048.5271 17725.4871 0.0000 0.0000 34413.8786 -149106.9570 300.5450 -183520.8355 -149017.8325 299.6094 6.6908 42.7635 557331.5721 -4.3091 -4.3540 PRESSURE: 4929800 -33.902 205.389 0.618383 205.388 -170.021 4.3671 0.619054 4.36646 -99.0744 GPRESSURE: 4929800 51.7052 192.233 -7.12308 172.28 -184.333 151.101 39.2755 -41.0743 -72.5638 PRESSAVG: 4929800 8.02127 43.5016 42.7923 43.5016 -22.7775 50.2858 42.7922 50.2859 26.7371 GPRESSAVG: 4929800 7.95121 42.4617 43.0097 41.8115 -21.8139 51.63 43.0868 51.3822 25.9558 TIMING: 4929800 CPU: 14629, 0.00293074/step Wall: 14629, 0.00293074/step, 0.0571495 hours remaining, 208.687500 MB of memory in use. ENERGY: 4929800 723.3691 2063.0274 1939.3560 109.1093 -206107.3720 17579.8086 0.0000 0.0000 34488.0621 -149204.6396 301.1928 -183692.7017 -149103.3308 299.5267 -100.9992 -68.3973 557955.1992 3.9936 4.0310 PRESSURE: 4930000 -6.42003 77.0566 -32.1232 77.0556 140.598 31.7974 -32.1232 31.7987 90.7671 GPRESSURE: 4930000 7.3887 130.173 -88.1848 35.2179 212.736 9.94185 14.4469 -2.78357 97.3189 PRESSAVG: 4930000 -12.6212 21.7645 -1.62764 21.7645 -51.0892 4.14655 -1.62767 4.14654 -10.6506 GPRESSAVG: 4930000 -12.2602 22.8785 -1.91046 24.6962 -51.1286 1.86329 -0.858743 5.87004 -10.7433 TIMING: 4930000 CPU: 14629.6, 0.00297732/step Wall: 14629.6, 0.00297732/step, 0.0578924 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4930000 698.9388 2079.9292 1926.6749 113.1847 -206264.8334 17959.3244 0.0000 0.0000 34264.3720 -149222.4093 299.2393 -183486.7814 -149129.7658 299.5080 74.9816 105.8145 556811.4220 -24.7870 -24.7107 PRESSURE: 4930200 99.7896 18.8933 160.291 18.8931 99.7353 -98.154 160.292 -98.1545 -73.644 GPRESSURE: 4930200 146.44 0.296323 145.71 28.9064 107.077 -78.2442 116.719 -80.6494 -43.3602 PRESSAVG: 4930200 18.1441 -4.69617 31.1142 -4.69626 9.57603 27.5017 31.1143 27.5018 0.831885 GPRESSAVG: 4930200 17.3582 -3.15958 29.4126 -7.6591 8.97451 30.1814 31.1664 25.0579 2.25231 TIMING: 4930200 CPU: 14630.2, 0.0029156/step Wall: 14630.2, 0.0029156/step, 0.0565302 hours remaining, 208.687500 MB of memory in use. ENERGY: 4930200 746.9324 2115.4082 1905.2315 114.5048 -206274.3825 17847.5308 0.0000 0.0000 34246.0919 -149298.6828 299.0796 -183544.7747 -149206.3138 299.0966 41.9603 70.0521 557246.9145 9.5173 9.5284 PRESSURE: 4930400 -282.333 -55.9573 225.713 -55.9574 -155.511 101.108 225.713 101.109 -76.4869 GPRESSURE: 4930400 -260.477 66.0415 105.66 -122.17 -142.483 126.752 148.626 47.8558 -16.4102 PRESSAVG: 4930400 -47.3632 -16.9551 58.6811 -16.9552 -7.27326 22.8859 58.6811 22.886 45.7973 GPRESSAVG: 4930400 -46.8096 -18.3787 59.0626 -16.7249 -8.89916 22.467 56.9024 22.9546 47.0318 TIMING: 4930400 CPU: 14630.8, 0.00290766/step Wall: 14630.8, 0.00290766/step, 0.0562147 hours remaining, 208.687500 MB of memory in use. ENERGY: 4930400 747.4962 2075.5223 1940.8337 103.3060 -205845.0983 17724.6628 0.0000 0.0000 34248.4458 -149004.8314 299.1002 -183253.2772 -148913.4750 299.2304 -171.4437 -139.7900 559605.1341 -2.9464 -2.8923 PRESSURE: 4930600 45.5152 -9.14426 91.1344 -9.14602 -397.701 61.254 91.1346 61.2527 -143.168 GPRESSURE: 4930600 45.8528 -17.9353 111.019 6.55985 -338.989 52.8697 143.541 78.804 -96.9845 PRESSAVG: 4930600 -32.4598 44.1037 21.5681 44.1037 4.62016 44.8323 21.5682 44.8323 30.4522 GPRESSAVG: 4930600 -32.4906 45.5111 21.1997 43.5812 5.70198 45.0665 21.6129 44.2702 28.8626 TIMING: 4930600 CPU: 14631.4, 0.00293037/step Wall: 14631.4, 0.00293037/step, 0.056491 hours remaining, 208.687500 MB of memory in use. ENERGY: 4930600 709.0853 2094.7265 1930.2249 114.6082 -205765.1921 17517.4018 0.0000 0.0000 34562.5216 -148836.6237 301.8431 -183399.1453 -148735.7265 300.4987 -165.1179 -130.0402 559375.3622 0.8709 0.6913 PRESSURE: 4930800 34.3305 16.7145 12.289 16.7157 -22.9505 -92.3059 12.289 -92.3055 226.49 GPRESSURE: 4930800 126.893 -51.1687 -29.463 28.0329 20.5233 -100.19 17.7897 -141.027 199.448 PRESSAVG: 4930800 21.7538 45.7164 24.8752 45.7163 -69.0917 -47.9632 24.8752 -47.9633 -9.36 GPRESSAVG: 4930800 20.664 41.8889 27.0655 47.6779 -68.2578 -46.6938 23.8219 -48.7054 -9.69718 TIMING: 4930800 CPU: 14632, 0.00293758/step Wall: 14632, 0.00293758/step, 0.0564668 hours remaining, 208.687500 MB of memory in use. ENERGY: 4930800 771.9263 2115.9924 1904.5508 111.6811 -205945.5105 17963.7860 0.0000 0.0000 34261.2936 -148816.2803 299.2124 -183077.5740 -148720.4032 299.7790 79.2901 115.6217 557388.0802 -18.8993 -19.0970 PRESSURE: 4931000 82.9424 5.69493 -128.233 5.69451 -44.3873 -90.14 -128.232 -90.1386 -78.1184 GPRESSURE: 4931000 101.996 106.066 -48.4113 -36.8668 15.2012 -108.677 -159.206 -16.8048 -65.4302 PRESSAVG: 4931000 67.7951 14.359 24.2879 14.3589 9.92249 -99.542 24.2879 -99.542 -90.9334 GPRESSAVG: 4931000 67.8642 14.5708 22.6873 15.1263 8.99296 -100.708 26.3965 -95.6845 -90.2278 TIMING: 4931000 CPU: 14632.6, 0.00294428/step Wall: 14632.6, 0.00294428/step, 0.0564321 hours remaining, 208.687500 MB of memory in use. ENERGY: 4931000 744.8213 2088.4903 1981.3947 115.9446 -205870.6402 17810.1786 0.0000 0.0000 34318.5784 -148811.2322 299.7127 -183129.8106 -148719.8043 300.2987 -13.1878 17.2558 557774.6262 -4.4053 -4.4569 PRESSURE: 4931200 -232.64 -64.8968 -16.085 -64.896 229.877 -9.77284 -16.0852 -9.77167 98.8032 GPRESSURE: 4931200 -202.531 -40.6702 67.876 -11.0079 267.469 2.53446 -92.7094 28.3236 133.31 PRESSAVG: 4931200 -4.84504 0.067938 -2.32756 0.0679088 1.18262 -26.5141 -2.32753 -26.514 8.02625 GPRESSAVG: 4931200 -4.36384 3.09734 -1.43302 -4.492 1.52615 -24.7644 -4.091 -30.1665 7.07098 TIMING: 4931200 CPU: 14633.2, 0.00294882/step Wall: 14633.2, 0.00294882/step, 0.0563553 hours remaining, 208.687500 MB of memory in use. ENERGY: 4931200 742.3784 2121.9392 1944.7425 111.0409 -205908.1066 17851.4330 0.0000 0.0000 34264.0724 -148872.5002 299.2367 -183136.5725 -148767.6274 300.3938 32.0133 66.0827 557652.6164 1.4546 1.4111 PRESSURE: 4931400 -9.43638 95.588 18.2309 95.5876 -204.905 15.2057 18.2317 15.2044 -336.594 GPRESSURE: 4931400 -12.8472 69.1406 -87.9938 119.312 -192.512 20.3825 72.9349 79.7292 -238.345 PRESSAVG: 4931400 15.6966 -16.7818 -4.27596 -16.7819 6.57411 73.1701 -4.27615 73.17 -34.2864 GPRESSAVG: 4931400 15.714 -17.4123 -2.36808 -15.1443 7.50204 72.1451 -2.97787 73.844 -35.4016 TIMING: 4931400 CPU: 14633.7, 0.00294736/step Wall: 14633.7, 0.00294736/step, 0.0561636 hours remaining, 208.687500 MB of memory in use. ENERGY: 4931400 750.4429 2078.5773 1921.6831 115.5543 -205862.9169 17569.1804 0.0000 0.0000 34290.9201 -149136.5588 299.4711 -183427.4789 -149032.8359 300.1543 -183.6452 -147.9014 559597.5285 -4.0052 -4.0618 PRESSURE: 4931600 -38.4651 221.539 -181.913 221.538 -163.942 -80.9713 -181.913 -80.972 -202.894 GPRESSURE: 4931600 -34.4396 171.356 -147.405 225.534 -168.462 -131.921 -230.426 -85.364 -107.856 PRESSAVG: 4931600 75.7684 -4.73927 11.2048 -4.73929 -45.8861 -45.4657 11.2049 -45.4657 -31.9571 GPRESSAVG: 4931600 76.1227 -4.50964 9.69097 -5.68621 -47.8935 -46.1088 10.4261 -45.528 -30.3343 TIMING: 4931600 CPU: 14634.3, 0.00294838/step Wall: 14634.3, 0.00294838/step, 0.0560192 hours remaining, 208.687500 MB of memory in use. ENERGY: 4931600 757.7605 2074.2440 1935.7627 106.0745 -205871.5051 17689.3597 0.0000 0.0000 34064.8014 -149243.5024 297.4964 -183308.3038 -149139.5560 299.1090 -135.1004 -103.5859 557988.8307 -0.6916 -0.7017 PRESSURE: 4931800 -162.63 -148.653 -25.4184 -148.652 -61.5298 -46.3599 -25.4184 -46.362 48.2434 GPRESSURE: 4931800 -157.358 -180.648 62.3455 -108.404 -33.5584 -58.9249 -87.711 -40.8099 119.608 PRESSAVG: 4931800 13.6193 -20.449 -19.9007 -20.4489 -47.1761 -67.3949 -19.9007 -67.3949 0.166717 GPRESSAVG: 4931800 14.0288 -22.0584 -18.1862 -18.5803 -46.6018 -68.6529 -19.0072 -64.0433 -0.617871 TIMING: 4931800 CPU: 14634.9, 0.0029433/step Wall: 14634.9, 0.0029433/step, 0.0557592 hours remaining, 208.687500 MB of memory in use. ENERGY: 4931800 776.7434 2116.3646 1960.5669 105.3937 -206078.1683 17717.3732 0.0000 0.0000 34388.3061 -149013.4204 300.3216 -183401.7265 -148917.8741 299.2478 -58.6388 -23.7692 558157.4299 -11.1300 -11.0636 PRESSURE: 4932000 -209.014 -92.4766 87.4095 -92.4787 -292.279 -69.4463 87.408 -69.4468 235.356 GPRESSURE: 4932000 -158.446 -40.4824 158.627 -142.522 -283.647 -164.507 -28.3956 0.0892213 286.801 PRESSAVG: 4932000 -29.3957 7.49833 9.95041 7.49841 -36.8769 18.0979 9.95037 18.0979 51.1784 GPRESSAVG: 4932000 -29.5369 7.24843 9.02281 7.75305 -36.8091 19.2849 10.1645 17.6909 51.091 TIMING: 4932000 CPU: 14635.5, 0.00293585/step Wall: 14635.5, 0.00293585/step, 0.0554549 hours remaining, 208.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4932000 747.4634 2060.6515 1927.5552 109.8598 -205721.7010 17532.6033 0.0000 0.0000 34236.9895 -149106.5783 299.0001 -183343.5678 -149006.7850 299.2553 -88.6455 -51.7643 558028.8225 -5.0314 -5.0850 PRESSURE: 4932200 -127.587 -183.987 -89.4478 -183.985 -136.828 -32.5824 -89.4477 -32.5818 -177.445 GPRESSURE: 4932200 -99.1572 -253.68 -99.1679 -212.05 -141.445 -130.969 -23.5028 -5.79138 -95.4754 PRESSAVG: 4932200 -3.89972 -11.8442 39.1871 -11.8442 -22.5749 13.6057 39.1871 13.6057 -19.5468 GPRESSAVG: 4932200 -4.2946 -11.7267 37.9252 -13.8532 -22.7988 11.0053 40.4279 14.7409 -18.7223 TIMING: 4932200 CPU: 14636.1, 0.00291952/step Wall: 14636.1, 0.00291952/step, 0.0549842 hours remaining, 208.687500 MB of memory in use. ENERGY: 4932200 776.5122 2044.0988 1952.5022 112.1546 -206341.3363 17808.9735 0.0000 0.0000 34442.1216 -149204.9735 300.7916 -183647.0951 -149106.2952 299.0175 -147.2865 -112.0259 558682.7098 -15.3405 -15.2719 LDB: ============= START OF LOAD BALANCING ============== 14639.6 LDB: ============== END OF LOAD BALANCING =============== 14639.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14639.6 LDB: ============= START OF LOAD BALANCING ============== 14639.9 LDB: Largest compute 4801 load 0.022202 is 18.8% of average load 0.118307 LDB: Average compute 0.001730 is 1.5% of average load 0.118307 LDB: TIME 14639.9 LOAD: AVG 0.118307 MAX 0.197192 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.023 MB LDB: TIME 14639.9 LOAD: AVG 0.118307 MAX 0.197192 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.23 MB LDB: TIME 14639.9 LOAD: AVG 0.118307 MAX 0.197192 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.23 MB LDB: ============== END OF LOAD BALANCING =============== 14639.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14639.9 PRESSURE: 4932400 -60.1026 -79.7672 -128.716 -79.7668 27.168 65.0702 -128.717 65.0704 71.0347 GPRESSURE: 4932400 11.0261 -72.5448 -182.041 -66.7836 2.70662 68.2745 -64.5758 36.6443 123.18 PRESSAVG: 4932400 10.0127 -20.3458 26.1591 -20.3458 -75.4161 17.7046 26.1592 17.7046 64.5851 GPRESSAVG: 4932400 9.81699 -18.2063 26.3842 -17.1631 -75.1582 18.5304 24.7915 15.0262 64.4035 TIMING: 4932400 CPU: 14636.7, 0.00297984/step Wall: 14636.7, 0.00297984/step, 0.0559547 hours remaining, 209.574219 MB of memory in use. ENERGY: 4932400 759.1600 2106.5592 1969.2226 107.8954 -206150.0668 17793.4149 0.0000 0.0000 34201.9168 -149211.8980 298.6938 -183413.8147 -149112.9100 298.7749 12.7001 45.6376 557828.9645 -0.2727 -0.3126 PRESSURE: 4932600 187.342 -111.124 110.175 -111.124 -31.63 -21.4997 110.176 -21.4983 -42.1211 GPRESSURE: 4932600 212.671 -92.5536 127.02 -195.846 24.0295 -91.5404 74.2363 47.4067 -38.6684 PRESSAVG: 4932600 49.5091 -32.5642 -70.7409 -32.5642 -48.5689 -5.42513 -70.7411 -5.42515 -25.3516 GPRESSAVG: 4932600 50.3486 -31.8103 -70.4782 -36.009 -48.6669 -3.69328 -71.2422 -4.92452 -26.1146 TIMING: 4932600 CPU: 14637.3, 0.00292274/step Wall: 14637.3, 0.00292274/step, 0.0547201 hours remaining, 209.777344 MB of memory in use. ENERGY: 4932600 711.6515 2124.3902 1927.6839 111.0287 -206414.3194 17824.5651 0.0000 0.0000 34358.9595 -149356.0405 300.0653 -183715.0000 -149251.0115 299.8537 37.8636 66.0107 556431.9258 -8.1371 -8.1443 PRESSURE: 4932800 175.41 -30.5612 -78.8293 -30.5618 190.776 120.216 -78.8283 120.217 317.471 GPRESSURE: 4932800 204.695 -35.1634 -69.5559 -12.148 186.082 69.4073 -30.6594 60.7778 392.298 PRESSAVG: 4932800 57.7003 -19.5232 25.4197 -19.5233 -100.628 -4.89716 25.4196 -4.89703 -28.1535 GPRESSAVG: 4932800 57.3166 -19.711 28.9916 -19.0608 -101.575 -4.33028 24.8524 -4.90747 -26.7064 TIMING: 4932800 CPU: 14637.9, 0.00291939/step Wall: 14637.9, 0.00291939/step, 0.0544953 hours remaining, 209.777344 MB of memory in use. ENERGY: 4932800 751.2913 2104.4872 1959.6680 111.8713 -206947.0793 18122.0949 0.0000 0.0000 34595.9118 -149301.7548 302.1347 -183897.6666 -149202.6909 299.9761 227.8855 261.0248 554903.4468 -23.6937 -23.6548 PRESSURE: 4933000 222.012 -103.397 20.0249 -103.395 -195.323 47.935 20.0226 47.9348 86.3296 GPRESSURE: 4933000 225.114 -44.9508 4.35944 -119.81 -125.101 87.4189 28.5845 -22.6387 98.9544 PRESSAVG: 4933000 60.8352 -61.6575 -29.7405 -61.6576 -57.8573 -1.92914 -29.7406 -1.92918 40.7264 GPRESSAVG: 4933000 60.424 -65.1817 -32.7545 -60.4868 -56.5626 -1.50415 -28.2996 -1.54859 40.2023 TIMING: 4933000 CPU: 14638.4, 0.00295819/step Wall: 14638.4, 0.00295819/step, 0.0550552 hours remaining, 209.777344 MB of memory in use. ENERGY: 4933000 765.7108 2107.9948 1954.6831 107.9692 -206407.3014 17962.6076 0.0000 0.0000 34177.0202 -149331.3158 298.4764 -183508.3360 -149229.1550 299.8446 37.6727 66.3227 556832.1977 14.5681 14.6879 PRESSURE: 4933200 5.90209 -86.7102 16.9705 -86.7094 -101.295 -31.5134 16.9709 -31.5146 3.92442 GPRESSURE: 4933200 54.7866 -111.659 -14.2139 -61.1809 -55.0113 -35.0649 5.59215 -67.9687 -2.74825 PRESSAVG: 4933200 87.7852 -37.1385 20.0399 -37.1385 -13.0271 -19.2527 20.04 -19.2528 -24.0232 GPRESSAVG: 4933200 89.2015 -35.5769 21.6966 -38.3404 -13.7303 -18.0647 18.1897 -20.4708 -25.2143 TIMING: 4933200 CPU: 14639, 0.00292792/step Wall: 14639, 0.00292792/step, 0.0543291 hours remaining, 209.777344 MB of memory in use. ENERGY: 4933200 749.5116 2091.8658 1937.1634 116.8629 -206284.3516 17820.4916 0.0000 0.0000 34329.0317 -149239.4245 299.8040 -183568.4563 -149145.7422 299.5809 -30.4895 -0.9910 557518.8567 16.9116 16.7523 PRESSURE: 4933400 222.364 41.6118 -52.9188 41.6117 265.395 69.9134 -52.9179 69.913 82.9084 GPRESSURE: 4933400 211.821 75.2516 -27.0792 65.4301 278.313 78.3566 -36.0275 61.8071 173.02 PRESSAVG: 4933400 -4.37816 -4.59112 44.1356 -4.59104 44.4873 24.0295 44.1357 24.0295 -39.9533 GPRESSAVG: 4933400 -5.72433 -5.81684 41.4661 -2.63576 44.3318 23.248 46.2682 24.6432 -38.8071 TIMING: 4933400 CPU: 14639.6, 0.00291272/step Wall: 14639.6, 0.00291272/step, 0.0538854 hours remaining, 209.777344 MB of memory in use. ENERGY: 4933400 686.1987 2079.6554 1939.5453 117.9290 -206388.1043 18008.0024 0.0000 0.0000 34369.6321 -149187.1413 300.1585 -183556.7734 -149094.7037 299.5641 190.2226 221.0509 558788.8268 0.0519 -0.0665 PRESSURE: 4933600 -119.427 23.5513 -49.12 23.5511 -20.8406 -86.0938 -49.1184 -86.095 -342.081 GPRESSURE: 4933600 -59.814 -51.7019 -83.8954 38.4197 2.52321 9.32972 -64.9826 -18.4725 -332.031 PRESSAVG: 4933600 5.51519 0.503804 -50.4121 0.503713 -0.590303 -1.80607 -50.4121 -1.80612 -48.1691 GPRESSAVG: 4933600 5.56654 3.25249 -47.3521 -2.01867 -0.959363 -1.24646 -51.6366 -1.50535 -48.0594 TIMING: 4933600 CPU: 14640.2, 0.00291677/step Wall: 14640.2, 0.00291677/step, 0.0537982 hours remaining, 209.777344 MB of memory in use. ENERGY: 4933600 746.9097 2068.0489 1941.5296 114.7370 -205959.6652 17617.8052 0.0000 0.0000 34447.2385 -149023.3962 300.8363 -183470.6347 -148917.6302 299.5647 -160.7827 -129.7739 558881.0063 -14.4147 -14.4841 PRESSURE: 4933800 -149.489 119.397 100.401 119.397 -60.2053 119.024 100.402 119.025 -165.848 GPRESSURE: 4933800 -106.894 112.091 87.7746 89.9901 -12.2243 111.136 35.2875 129.795 -167.583 PRESSAVG: 4933800 29.8338 39.1477 -15.7496 39.1477 -33.061 -56.8377 -15.7496 -56.8375 11.6972 GPRESSAVG: 4933800 28.7253 39.2313 -16.8902 41.3733 -31.9323 -57.8754 -14.6386 -58.5085 11.5878 TIMING: 4933800 CPU: 14640.8, 0.00293931/step Wall: 14640.8, 0.00293931/step, 0.0540506 hours remaining, 209.777344 MB of memory in use. ENERGY: 4933800 763.2605 2058.4657 1919.0855 115.9229 -206041.3857 17817.3487 0.0000 0.0000 34392.7570 -148974.5455 300.3605 -183367.3025 -148875.3352 299.7828 -125.1807 -95.5668 558837.4252 2.8234 2.7936 PRESSURE: 4934000 -360.329 -79.7872 48.163 -79.7872 -75.3661 -57.3896 48.1632 -57.3888 -67.3115 GPRESSURE: 4934000 -270.611 -55.7751 73.0551 -12.493 -105.061 -90.2708 62.936 32.6227 -18.8762 PRESSAVG: 4934000 42.296 12.9046 25.0273 12.9045 33.3734 -28.9025 25.0273 -28.9023 -39.1695 GPRESSAVG: 4934000 43.1894 12.6193 22.8351 12.5089 32.4193 -27.5105 25.5445 -28.267 -38.9785 TIMING: 4934000 CPU: 14641.4, 0.00292932/step Wall: 14641.4, 0.00292932/step, 0.0537042 hours remaining, 209.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4934000 738.5226 2092.5411 1928.2886 99.2589 -205913.6189 17602.1770 0.0000 0.0000 34375.5203 -149077.3106 300.2100 -183452.8309 -148974.8760 300.4395 -167.6688 -131.5161 558335.1665 12.1666 12.2101 PRESSURE: 4934200 16.0201 41.5304 200.142 41.531 -218.474 -53.0585 200.144 -53.0586 -160.621 GPRESSURE: 4934200 -4.18967 8.47211 202.767 63.7725 -154.468 -46.3308 172.982 31.2177 -106.137 PRESSAVG: 4934200 -10.4664 -28.9507 41.6932 -28.9508 3.86686 19.1246 41.6932 19.1247 -5.78454 GPRESSAVG: 4934200 -10.0304 -28.7821 42.9104 -28.5332 4.51479 18.1355 40.9096 19.5315 -6.94487 TIMING: 4934200 CPU: 14642, 0.00291677/step Wall: 14642, 0.00291677/step, 0.0533121 hours remaining, 209.777344 MB of memory in use. ENERGY: 4934200 720.7847 2115.1820 1961.9155 122.0447 -205910.2542 17578.0347 0.0000 0.0000 34269.3301 -149142.9624 299.2826 -183412.2925 -149048.3243 299.3716 -121.0248 -88.2650 557835.9385 -4.1280 -4.1535 PRESSURE: 4934400 -211.313 77.9834 97.7743 77.9834 -230.547 54.5607 97.7743 54.5597 -168.127 GPRESSURE: 4934400 -232.057 11.9465 101.303 76.6759 -179.043 21.1901 127.091 115.183 -108.258 PRESSAVG: 4934400 -34.2868 12.9175 15.2289 12.9175 29.2984 36.5374 15.2289 36.5374 13.4748 GPRESSAVG: 4934400 -33.8981 10.022 15.1399 13.7931 28.549 36.0287 17.1118 39.7369 12.8898 TIMING: 4934400 CPU: 14642.5, 0.00295145/step Wall: 14642.5, 0.00295145/step, 0.0537819 hours remaining, 209.777344 MB of memory in use. ENERGY: 4934400 752.8052 2145.8778 1939.1433 109.3438 -205952.6409 17674.3675 0.0000 0.0000 34309.3205 -149021.7828 299.6318 -183331.1033 -148927.3146 299.5354 -203.3292 -173.1196 559028.8718 2.8288 2.5135 PRESSURE: 4934600 -148.132 -143.387 1.54628 -143.387 -88.8301 -162.061 1.54604 -162.063 71.2242 GPRESSURE: 4934600 -92.3969 -146.161 -8.58363 -145.035 -82.5732 -221.635 -68.204 -137.613 112.931 PRESSAVG: 4934600 -7.12698 21.7707 15.5595 21.7708 -48.9313 -10.2028 15.5594 -10.2028 65.7932 GPRESSAVG: 4934600 -8.82814 24.0002 16.7633 21.1086 -48.6041 -9.02184 13.8072 -13.06 67.4962 TIMING: 4934600 CPU: 14643.1, 0.00294332/step Wall: 14643.1, 0.00294332/step, 0.0534703 hours remaining, 209.777344 MB of memory in use. ENERGY: 4934600 773.8714 2076.0650 1948.2770 120.2514 -206254.5936 17907.4186 0.0000 0.0000 34227.8863 -149200.8239 298.9206 -183428.7102 -149105.2858 299.9091 -55.2461 -20.6798 556973.3282 3.2450 3.3547 PRESSURE: 4934800 -112.018 46.9456 169.946 46.9437 103.944 125.288 169.947 125.286 230.191 GPRESSURE: 4934800 -81.6793 14.9909 110.895 62.5968 142.162 149.182 216.206 57.2438 269.884 PRESSAVG: 4934800 -56.7077 35.4443 21.5466 35.4443 22.6637 -2.62535 21.5466 -2.62547 37.2401 GPRESSAVG: 4934800 -55.1721 35.0705 20.6598 35.6272 21.2148 -3.03495 21.2188 -2.49244 37.4757 TIMING: 4934800 CPU: 14643.7, 0.0029233/step Wall: 14643.7, 0.0029233/step, 0.0529442 hours remaining, 209.777344 MB of memory in use. ENERGY: 4934800 800.9952 2071.1664 1939.4017 113.3435 -206490.0663 18081.5021 0.0000 0.0000 34227.1177 -149256.5397 298.9139 -183483.6573 -149156.2140 299.3486 74.0390 110.1222 557441.4906 1.0654 1.1728 PRESSURE: 4935000 -86.8174 -107.648 -206.235 -107.647 131.717 -162.386 -206.235 -162.386 -15.7134 GPRESSURE: 4935000 -112.281 -86.2495 -134.374 -100.321 194.119 -120.611 -246.419 -125.938 49.9373 PRESSAVG: 4935000 -59.8283 40.4133 9.52806 40.4133 -16.0906 2.90113 9.52813 2.90111 74.2896 GPRESSAVG: 4935000 -61.4118 41.4208 11.4001 39.5028 -14.5926 5.65515 8.10156 2.51908 74.7593 TIMING: 4935000 CPU: 14644.3, 0.00294436/step Wall: 14644.3, 0.00294436/step, 0.0531621 hours remaining, 209.777344 MB of memory in use. ENERGY: 4935000 766.2763 2093.2776 1921.7233 114.6911 -206721.3730 18213.9652 0.0000 0.0000 34283.6909 -149327.7487 299.4080 -183611.4396 -149226.8519 299.2513 9.7286 43.9251 558058.1400 -0.5431 -0.4150 PRESSURE: 4935200 -104.01 -64.7636 -11.0466 -64.7629 -26.3607 184.702 -11.0467 184.702 -53.7946 GPRESSURE: 4935200 -67.9379 -60.7875 2.77927 -17.6011 -6.72052 213.692 -16.2684 123.33 -32.0127 PRESSAVG: 4935200 -47.2981 19.1651 38.6904 19.1652 12.8542 61.0626 38.6904 61.0626 51.3634 GPRESSAVG: 4935200 -45.4629 17.7349 38.225 21.3328 11.7785 57.9154 39.64 63.3684 50.6762 TIMING: 4935200 CPU: 14644.9, 0.00293812/step Wall: 14644.9, 0.00293812/step, 0.0528861 hours remaining, 209.777344 MB of memory in use. ENERGY: 4935200 758.7749 2124.5303 1932.2333 102.7884 -206231.7675 17888.9244 0.0000 0.0000 34101.3789 -149323.1372 297.8158 -183424.5161 -149233.2120 298.7818 -61.3884 -35.5570 557313.9989 5.6398 5.6639 PRESSURE: 4935400 -58.0502 -27.2406 138.346 -27.2423 140.788 130.836 138.345 130.836 155.067 GPRESSURE: 4935400 -35.5374 -43.0817 73.5415 -39.1453 127.36 86.7511 129.172 176.666 239.978 PRESSAVG: 4935400 -33.8135 38.6729 23.9535 38.673 22.5282 -18.4143 23.9535 -18.4144 34.6889 GPRESSAVG: 4935400 -33.6168 39.3858 24.1375 35.3329 22.8945 -19.2083 23.1627 -19.0954 34.8058 TIMING: 4935400 CPU: 14645.5, 0.00292843/step Wall: 14645.5, 0.00292843/step, 0.0525491 hours remaining, 209.777344 MB of memory in use. ENERGY: 4935400 719.9599 2090.3811 1939.0346 111.0584 -206510.1025 17794.2376 0.0000 0.0000 34599.3148 -149256.1160 302.1644 -183855.4308 -149168.9590 299.6915 79.2684 110.6004 556348.0946 7.8012 8.0278 PRESSURE: 4935600 285.629 -8.13126 165.651 -8.13139 88.5095 -124.818 165.652 -124.819 7.11079 GPRESSURE: 4935600 266.079 -50.1545 216.446 5.02866 109.715 -1.08929 187.001 -85.8162 113.542 PRESSAVG: 4935600 25.8048 -11.6276 33.3368 -11.6276 -63.1932 13.5408 33.3368 13.5408 -6.79371 GPRESSAVG: 4935600 24.69 -13.5824 32.3241 -8.99602 -61.7462 14.906 35.3354 15.3516 -6.56757 TIMING: 4935600 CPU: 14646.1, 0.00294557/step Wall: 14646.1, 0.00294557/step, 0.0526931 hours remaining, 209.777344 MB of memory in use. ENERGY: 4935600 789.3848 2127.1823 1924.9227 123.2802 -206863.2664 18073.5064 0.0000 0.0000 34459.0512 -149365.9387 300.9395 -183824.9899 -149272.7248 299.6688 127.0832 163.1122 555112.5927 -14.7274 -14.5413 PRESSURE: 4935800 102.112 -98.4509 -1.08323 -98.4521 -126.987 3.38062 -1.08299 3.38021 25.8858 GPRESSURE: 4935800 168.784 -110.2 18.1464 -176.381 -104.761 7.29998 -69.6912 -21.4321 13.4737 PRESSAVG: 4935800 -0.848814 33.7689 38.8957 33.769 20.5128 -38.3588 38.8956 -38.3588 -35.3365 GPRESSAVG: 4935800 0.487805 34.9547 38.2632 31.1053 21 -39.6687 36.1031 -40.2108 -37.144 TIMING: 4935800 CPU: 14646.7, 0.00295967/step Wall: 14646.7, 0.00295967/step, 0.0527808 hours remaining, 209.777344 MB of memory in use. ENERGY: 4935800 751.9645 2156.3865 1952.4308 111.5337 -206136.6058 17622.8054 0.0000 0.0000 34204.5844 -149336.9004 298.7171 -183541.4848 -149232.0121 299.0272 0.3372 25.8323 556304.2671 -5.2242 -5.2187 PRESSURE: 4936000 -2.63359 -108.651 -40.2558 -108.652 -36.6857 159.141 -40.2555 159.141 -224.582 GPRESSURE: 4936000 54.72 -85.5667 3.03107 -151.765 -43.4536 83.1195 -18.2526 184.075 -174.243 PRESSAVG: 4936000 34.2706 14.2268 9.23001 14.2268 12.8967 36.5228 9.23008 36.5228 -33.6537 GPRESSAVG: 4936000 32.4114 14.604 9.70063 15.621 11.3548 36.0287 10.9765 38.1037 -30.434 TIMING: 4936000 CPU: 14647.3, 0.00294963/step Wall: 14647.3, 0.00294963/step, 0.0524378 hours remaining, 209.777344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4936000 734.5830 2176.3031 1953.5991 112.6093 -206076.7755 17844.9696 0.0000 0.0000 34247.3544 -149007.3569 299.0907 -183254.7113 -148919.7518 298.9071 -87.9671 -54.3254 558936.0534 4.5045 4.4441 PRESSURE: 4936200 9.18292 37.1658 -21.2594 37.1665 2.77026 18.0447 -21.2602 18.0456 24.0483 GPRESSURE: 4936200 129.87 -27.7291 -19.3513 171.93 -4.71185 99.0548 7.42346 -82.5054 18.0909 PRESSAVG: 4936200 -4.12137 25.281 24.2831 25.281 -18.2437 28.8083 24.283 28.8083 9.01203 GPRESSAVG: 4936200 -2.45504 24.3444 22.8962 25.453 -18.0758 29.5149 25.4856 28.2787 6.9767 TIMING: 4936200 CPU: 14647.8, 0.0029464/step Wall: 14647.8, 0.0029464/step, 0.0522168 hours remaining, 209.777344 MB of memory in use. ENERGY: 4936200 739.3309 2147.3446 1922.0127 117.7591 -206268.7106 17926.3381 0.0000 0.0000 34531.1813 -148884.7440 301.5694 -183415.9253 -148778.3433 301.1229 12.0005 47.7497 558412.0038 -4.4510 -4.5180 LDB: ============= START OF LOAD BALANCING ============== 14651.4 LDB: ============== END OF LOAD BALANCING =============== 14651.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14651.4 LDB: ============= START OF LOAD BALANCING ============== 14651.7 LDB: Largest compute 4801 load 0.022712 is 19.2% of average load 0.118268 LDB: Average compute 0.001723 is 1.5% of average load 0.118268 LDB: TIME 14651.7 LOAD: AVG 0.118268 MAX 0.198943 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.09 MB LDB: TIME 14651.7 LOAD: AVG 0.118268 MAX 0.198943 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.09 MB LDB: TIME 14651.7 LOAD: AVG 0.118268 MAX 0.198943 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.09 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14651.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14651.7 PRESSURE: 4936400 -7.75808 91.4279 80.3881 91.4283 118.712 89.1039 80.3883 89.106 208.676 GPRESSURE: 4936400 -6.73562 18.476 95.7016 75.3672 241.029 71.5945 116.413 71.1956 178.6 PRESSAVG: 4936400 -47.6729 -5.53868 -14.0601 -5.53876 69.5154 -5.13164 -14.0601 -5.13157 0.165813 GPRESSAVG: 4936400 -48.5461 -5.89699 -13.9408 -4.67312 69.8739 -4.59098 -14.6492 -5.13274 0.695442 TIMING: 4936400 CPU: 14648.4, 0.0030131/step Wall: 14648.4, 0.0030131/step, 0.0532314 hours remaining, 209.945312 MB of memory in use. ENERGY: 4936400 717.5690 2133.5508 1927.9266 123.2104 -206573.1515 18024.6881 0.0000 0.0000 34444.3564 -149201.8502 300.8111 -183646.2066 -149103.2689 300.6762 106.5434 137.6311 557308.2235 7.3361 7.3411 PRESSURE: 4936600 189.116 -141.82 -36.0114 -141.822 -80.2973 54.2183 -36.0103 54.2192 -196.478 GPRESSURE: 4936600 206.639 -83.4494 -4.52681 -166.357 -46.8988 42.6219 -23.7046 2.66153 -161.349 PRESSAVG: 4936600 30.5907 23.6518 1.26326 23.6518 -38.2378 54.1368 1.26334 54.1369 6.78146 GPRESSAVG: 4936600 30.6398 24.9524 2.74694 21.349 -38.1574 53.9278 0.540901 54.9535 6.53078 TIMING: 4936600 CPU: 14649, 0.00293893/step Wall: 14649, 0.00293893/step, 0.0517578 hours remaining, 210.015625 MB of memory in use. ENERGY: 4936600 709.4096 2104.4458 1935.3774 104.8384 -205919.4820 17617.3259 0.0000 0.0000 34261.7413 -149186.3436 299.2163 -183448.0849 -149083.1351 299.5021 -29.2199 -0.5363 557832.5738 -0.2885 -0.3289 PRESSURE: 4936800 91.8229 -111.469 143.267 -111.47 63.047 -39.3856 143.268 -39.3859 -110.876 GPRESSURE: 4936800 101.271 -124.636 44.5717 -103.378 69.6279 10.6855 127.986 -38.3433 -40.6308 PRESSAVG: 4936800 14.3312 -42.7966 -1.01986 -42.7966 19.3736 48.9986 -1.01991 48.9986 -6.52463 GPRESSAVG: 4936800 14.6509 -43.4828 -1.97208 -41.1989 18.113 50.7268 -1.76439 49.0466 -5.50015 TIMING: 4936800 CPU: 14649.6, 0.00295414/step Wall: 14649.6, 0.00295414/step, 0.0518616 hours remaining, 210.015625 MB of memory in use. ENERGY: 4936800 763.6033 2090.6180 1914.9113 117.0985 -206369.0601 17887.7593 0.0000 0.0000 34509.3660 -149085.7037 301.3789 -183595.0697 -148988.0273 299.7318 14.6645 43.4227 557594.5743 9.0600 9.0879 PRESSURE: 4937000 191.242 -46.858 4.97339 -46.8575 -475.97 -6.9691 4.97389 -6.96913 -208.042 GPRESSURE: 4937000 157.816 -56.7756 -14.6574 -38.579 -380.522 -112.4 48.7413 -39.9611 -165.734 PRESSAVG: 4937000 35.9982 34.3041 41.9176 34.3042 -24.7627 26.9591 41.9176 26.959 -6.80909 GPRESSAVG: 4937000 36.3139 34.4908 43.5369 34.8633 -23.7148 26.8917 44.3354 26.5776 -8.55484 TIMING: 4937000 CPU: 14650.2, 0.0029395/step Wall: 14650.2, 0.0029395/step, 0.0514413 hours remaining, 210.015625 MB of memory in use. ENERGY: 4937000 771.9679 2054.9415 1919.6254 108.2175 -205784.5021 17529.1184 0.0000 0.0000 34288.1473 -149112.4840 299.4469 -183400.6313 -149012.7244 299.8084 -164.2568 -129.4802 557123.3094 1.4754 1.3481 PRESSURE: 4937200 37.2853 -172.196 70.2061 -172.196 43.185 310.484 70.2076 310.484 171.568 GPRESSURE: 4937200 29.2498 -143.255 73.2491 -197.32 53.8418 331.074 74.3829 310.655 271.493 PRESSAVG: 4937200 8.04684 -37.934 -22.7785 -37.934 -20.6189 9.96552 -22.7786 9.96549 24.0211 GPRESSAVG: 4937200 7.25394 -37.1558 -23.2961 -38.8229 -21.2716 8.28105 -26.6176 9.96971 25.8551 TIMING: 4937200 CPU: 14650.8, 0.00294365/step Wall: 14650.8, 0.00294365/step, 0.0513503 hours remaining, 210.015625 MB of memory in use. ENERGY: 4937200 731.1463 2114.8370 1947.7561 108.2575 -206505.7581 17990.1117 0.0000 0.0000 34375.2596 -149238.3898 300.2077 -183613.6494 -149132.9458 299.7353 84.0127 118.1948 555129.6472 3.8163 3.9458 PRESSURE: 4937400 -31.1119 79.6427 40.3841 79.6429 8.17661 198.236 40.3838 198.235 -74.8042 GPRESSURE: 4937400 -2.00431 -34.1541 121.547 195.903 87.5527 136.499 12.0748 137.405 -91.5752 PRESSAVG: 4937400 -3.00551 0.620511 30.6735 0.620494 -23.0726 56.9302 30.6735 56.9301 67.3447 GPRESSAVG: 4937400 -2.87879 -1.65607 28.1975 1.42267 -21.6183 57.3253 32.264 55.8204 66.4768 TIMING: 4937400 CPU: 14651.4, 0.00293153/step Wall: 14651.4, 0.00293153/step, 0.0509761 hours remaining, 210.015625 MB of memory in use. ENERGY: 4937400 745.6454 2147.3510 1918.6462 113.8953 -206348.5000 17920.1984 0.0000 0.0000 34271.8339 -149230.9298 299.3044 -183502.7637 -149129.8968 299.5533 -32.5798 -2.0089 557896.0653 13.7555 13.9932 PRESSURE: 4937600 -57.7977 182.887 104.984 182.888 17.1091 77.803 104.984 77.8022 -161.599 GPRESSURE: 4937600 -15.1761 212.781 94.6175 247.625 60.7806 91.4596 133.874 2.06383 -161.877 PRESSAVG: 4937600 -61.3454 22.7528 55.5005 22.7528 19.0487 -36.6586 55.5004 -36.6586 5.41433 GPRESSAVG: 4937600 -61.6774 25.3754 56.6963 20.458 18.6213 -36.813 56.979 -37.9389 5.85741 TIMING: 4937600 CPU: 14652, 0.00294104/step Wall: 14652, 0.00294104/step, 0.050978 hours remaining, 210.015625 MB of memory in use. ENERGY: 4937600 748.1523 2107.1324 1963.0644 112.7481 -206280.4809 17803.3687 0.0000 0.0000 34462.6362 -149083.3788 300.9708 -183546.0149 -148989.3296 299.4802 -67.4292 -38.7575 558319.1702 -12.2941 -12.3996 PRESSURE: 4937800 -28.4884 166.967 -47.0583 166.967 -101.919 -75.4075 -47.0588 -75.4079 -258.351 GPRESSURE: 4937800 -16.2093 216.553 -47.1324 149.668 -6.70591 -80.3074 -26.1721 -58.3935 -259.552 PRESSAVG: 4937800 -84.8926 47.7006 -56.1631 47.7006 85.1459 -35.9147 -56.1631 -35.9146 9.83948 GPRESSAVG: 4937800 -84.7689 47.2155 -54.0923 49.8677 84.3007 -35.0351 -59.5153 -34.3893 10.3157 TIMING: 4937800 CPU: 14652.6, 0.00296189/step Wall: 14652.6, 0.00296189/step, 0.0511749 hours remaining, 210.015625 MB of memory in use. ENERGY: 4937800 767.2024 2131.1051 1971.3568 109.1402 -206158.7321 17621.2093 0.0000 0.0000 34411.8806 -149146.8376 300.5275 -183558.7182 -149048.0417 298.6270 -129.5863 -94.1558 557445.5632 3.3642 3.2825 PRESSURE: 4938000 12.0308 -39.0405 51.2004 -39.0397 312.847 -159.987 51.2001 -159.986 -263.926 GPRESSURE: 4938000 24.4222 -72.7576 13.2685 58.9422 331.647 -137.895 117.891 -164.077 -195.12 PRESSAVG: 4938000 -82.7077 6.63267 47.6809 6.63263 4.04153 -37.4247 47.6808 -37.4246 40.3655 GPRESSAVG: 4938000 -83.2776 2.44572 45.7183 6.86525 4.52471 -37.0998 52.3022 -38.0797 40.6573 TIMING: 4938000 CPU: 14653.2, 0.00293378/step Wall: 14653.2, 0.00293378/step, 0.0505263 hours remaining, 210.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4938000 752.9052 2076.2674 1949.2429 118.7981 -205924.0470 17664.4628 0.0000 0.0000 34146.0043 -149216.3662 298.2055 -183362.3705 -149121.8302 299.0243 20.3172 53.6500 557182.0244 -12.7669 -12.6985 PRESSURE: 4938200 81.4939 -3.57371 116.608 -3.57249 -59.6733 131.9 116.609 131.899 -81.4137 GPRESSURE: 4938200 132.145 -15.7212 158.475 -4.97901 2.34834 160.413 81.5293 54.8146 -85.9062 PRESSAVG: 4938200 26.8156 -11.7043 -13.8731 -11.7043 -11.5867 -33.0422 -13.873 -33.0424 47.7965 GPRESSAVG: 4938200 26.9764 -10.3194 -13.3458 -11.5598 -10.1954 -32.7236 -16.2041 -32.961 46.0902 TIMING: 4938200 CPU: 14653.7, 0.00292979/step Wall: 14653.7, 0.00292979/step, 0.0502948 hours remaining, 210.015625 MB of memory in use. ENERGY: 4938200 768.2486 2044.0958 1942.1284 107.1029 -206373.1994 17989.0798 0.0000 0.0000 34379.3074 -149143.2364 300.2430 -183522.5439 -149043.2988 299.3310 -19.8644 16.1956 558218.1368 21.0085 20.9571 PRESSURE: 4938400 14.0534 55.3305 10.0944 55.3308 55.9257 73.4963 10.0948 73.497 38.0592 GPRESSURE: 4938400 80.681 90.6639 -28.0907 47.3432 14.2328 136.437 58.1124 -14.1 95.2674 PRESSAVG: 4938400 42.3161 -0.649444 48.9144 -0.649351 -23.4348 23.4893 48.9144 23.4894 -18.9725 GPRESSAVG: 4938400 43.1957 3.00275 48.8898 -2.26836 -24.9873 22.6316 50.3891 24.1898 -18.7162 TIMING: 4938400 CPU: 14654.3, 0.00294187/step Wall: 14654.3, 0.00294187/step, 0.0503386 hours remaining, 210.015625 MB of memory in use. ENERGY: 4938400 756.0422 2092.5964 1963.1101 111.0184 -205988.0741 17724.0889 0.0000 0.0000 34241.0736 -149100.1445 299.0358 -183341.2181 -149007.5972 299.6891 36.0128 63.3937 557147.7896 -0.0304 -0.1693 PRESSURE: 4938600 -156.375 68.1511 76.2532 68.1515 -32.987 -134.82 76.2532 -134.819 -181.187 GPRESSURE: 4938600 -87.6323 26.7415 54.9573 107.653 -43.2852 -188.987 -39.4263 -153.862 -143.801 PRESSAVG: 4938600 17.3837 -11.2746 9.84023 -11.2746 -61.8273 20.9228 9.84027 20.9227 18.4052 GPRESSAVG: 4938600 15.3951 -12.0252 8.95626 -10.7201 -60.6866 19.9952 8.10122 21.5021 19.8108 TIMING: 4938600 CPU: 14654.9, 0.0029251/step Wall: 14654.9, 0.0029251/step, 0.0498892 hours remaining, 210.015625 MB of memory in use. ENERGY: 4938600 793.1509 2060.9714 1952.1459 116.4229 -206216.7503 17747.7277 0.0000 0.0000 34262.2224 -149284.1092 299.2205 -183546.3316 -149194.2603 299.9604 -123.5165 -91.5730 557466.5944 -8.6795 -8.4935 PRESSURE: 4938800 -154.013 70.3019 28.3232 70.3011 -225.107 34.4573 28.3227 34.4582 -11.9319 GPRESSURE: 4938800 -157.163 42.6465 -29.4055 52.6216 -174.326 114.618 89.7856 28.3612 45.294 PRESSAVG: 4938800 58.9451 23.0742 -13.1153 23.0742 -44.3771 19.2098 -13.1153 19.2098 8.19434 GPRESSAVG: 4938800 61.8291 23.6797 -11.8138 22.3392 -45.1735 19.5017 -12.9615 19.3843 6.02008 TIMING: 4938800 CPU: 14655.5, 0.00291693/step Wall: 14655.5, 0.00291693/step, 0.0495879 hours remaining, 210.015625 MB of memory in use. ENERGY: 4938800 762.4969 2079.7783 1921.6328 119.7323 -205871.1117 17675.9550 0.0000 0.0000 34171.5943 -149139.9222 298.4290 -183311.5165 -149041.9224 299.3274 -130.3507 -95.3984 557557.1545 7.5874 7.5586 PRESSURE: 4939000 -65.1917 141.97 -10.0844 141.97 -215.427 -170.686 -10.0853 -170.686 236.39 GPRESSURE: 4939000 6.80116 142.825 4.40606 181.613 -181.981 -182.798 22.3074 -162.114 238.319 PRESSAVG: 4939000 78.4228 19.7433 27.0474 19.7433 -31.2795 -3.18863 27.0474 -3.18867 -32.37 GPRESSAVG: 4939000 77.7664 18.3105 28.9215 19.8435 -30.9117 -3.79396 25.3698 -3.913 -32.4405 TIMING: 4939000 CPU: 14656.1, 0.00292674/step Wall: 14656.1, 0.00292674/step, 0.049592 hours remaining, 210.015625 MB of memory in use. ENERGY: 4939000 742.9292 2127.8174 1924.2808 109.6183 -206189.8157 17743.6888 0.0000 0.0000 34250.5414 -149290.9399 299.1185 -183541.4813 -149197.5097 299.5556 -14.7429 21.0465 556410.3173 4.9244 4.8048 PRESSURE: 4939200 103.954 -164.814 119.908 -164.812 -146.151 -8.1337 119.907 -8.13314 415.138 GPRESSURE: 4939200 130.295 -200.459 78.5908 -32.0411 -43.4237 16.3245 126.453 -52.6774 378.075 PRESSAVG: 4939200 -17.8134 33.7702 42.451 33.7701 -67.8875 -8.51153 42.451 -8.51143 86.0516 GPRESSAVG: 4939200 -17.8485 32.1821 40.7666 34.8839 -67.1966 -6.81146 43.9509 -8.91368 85.5743 TIMING: 4939200 CPU: 14656.7, 0.00294273/step Wall: 14656.7, 0.00294273/step, 0.0496995 hours remaining, 210.015625 MB of memory in use. ENERGY: 4939200 740.3082 2108.6238 1918.2776 112.2508 -206330.8737 17935.7913 0.0000 0.0000 34270.0682 -149245.5538 299.2890 -183515.6220 -149150.2239 299.0638 124.3138 154.9823 556018.9929 0.1169 0.1764 PRESSURE: 4939400 261.1 16.0253 -83.7767 16.0258 -10.1973 -126.414 -83.7768 -126.413 301.165 GPRESSURE: 4939400 283.462 4.96671 -119.236 46.3232 5.2641 -142.424 -24.7135 -84.6398 363.949 PRESSAVG: 4939400 80.836 20.9188 -20.2224 20.9188 -113.044 -0.196262 -20.2224 -0.196248 48.4608 GPRESSAVG: 4939400 80.1156 20.8604 -18.2444 21.5126 -114.076 -0.582056 -19.2709 -0.471194 49.8514 TIMING: 4939400 CPU: 14657.3, 0.00293317/step Wall: 14657.3, 0.00293317/step, 0.049375 hours remaining, 210.015625 MB of memory in use. ENERGY: 4939400 736.7512 2120.5443 1914.8724 105.3307 -206662.8567 18218.6849 0.0000 0.0000 34277.9914 -149288.6819 299.3582 -183566.6733 -149194.1719 299.0402 184.0225 217.5583 556901.2003 5.4177 5.2972 PRESSURE: 4939600 295.91 118.892 -34.4417 118.892 159.248 51.4161 -34.4409 51.4156 342.866 GPRESSURE: 4939600 312.215 139.152 1.86419 154.789 160.316 34.2556 -58.7916 51.5479 419.429 PRESSAVG: 4939600 74.262 19.701 -27.054 19.7009 -94.2008 31.7229 -27.054 31.7228 64.0666 GPRESSAVG: 4939600 74.114 22.0289 -28.1338 18.3673 -94.2693 32.4283 -25.4753 31.9882 64.4321 TIMING: 4939600 CPU: 14657.8, 0.00294608/step Wall: 14657.8, 0.00294608/step, 0.0494286 hours remaining, 210.015625 MB of memory in use. ENERGY: 4939600 733.6742 2085.6902 1930.2226 92.8204 -206697.6950 18185.1178 0.0000 0.0000 34364.3995 -149305.7704 300.1128 -183670.1699 -149209.0279 299.0874 266.0081 297.3197 555280.6646 14.7092 14.7589 PRESSURE: 4939800 -234.526 -68.7773 153.214 -68.7775 -150.706 3.52093 153.213 3.52084 105.088 GPRESSURE: 4939800 -164.326 -127.38 187.312 10.1371 -93.2308 76.0244 93.2251 -77.1919 85.8144 PRESSAVG: 4939800 -22.069 -19.2566 -11.5005 -19.2566 -7.77428 -25.2931 -11.5005 -25.2932 60.3256 GPRESSAVG: 4939800 -21.8577 -20.5859 -13.1784 -20.4302 -6.7361 -24.1721 -12.7464 -26.7312 59.124 TIMING: 4939800 CPU: 14658.4, 0.00295422/step Wall: 14658.4, 0.00295422/step, 0.0494011 hours remaining, 210.015625 MB of memory in use. ENERGY: 4939800 750.3371 2128.8111 1939.6417 114.0414 -205842.9595 17533.9148 0.0000 0.0000 34192.8866 -149183.3270 298.6150 -183376.2135 -149087.9957 299.4550 -93.3811 -57.2475 556628.2966 10.1608 10.1767 PRESSURE: 4940000 15.4569 106.929 -49.9052 106.928 86.3313 158.884 -49.9039 158.884 -189.259 GPRESSURE: 4940000 37.3853 177.782 21.0196 84.8229 123.169 135.714 -182.13 178.962 -150.474 PRESSAVG: 4940000 -63.2352 -45.5087 49.7656 -45.5087 -49.9668 -56.591 49.7657 -56.5909 81.3228 GPRESSAVG: 4940000 -63.7644 -44.9262 49.7098 -42.7008 -49.8157 -59.8307 49.3846 -54.577 81.9182 TIMING: 4940000 CPU: 14659, 0.0029303/step Wall: 14659, 0.0029303/step, 0.0488383 hours remaining, 210.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4940000 738.8565 2119.8236 1943.0689 121.4173 -205870.7707 17629.4052 0.0000 0.0000 34218.3573 -149099.8419 298.8374 -183318.1991 -149009.8653 299.2992 -29.1569 3.3602 556769.5616 -10.6264 -10.5539 PRESSURE: 4940200 95.9647 -115.046 -74.3674 -115.045 -37.1282 61.3408 -74.3672 61.3404 53.71 GPRESSURE: 4940200 86.6275 -58.9787 -33.0082 -54.0229 -8.64333 71.0357 -133.553 93.6784 131.031 PRESSAVG: 4940200 -4.71352 7.06853 6.71407 7.06845 -19.8045 -13.234 6.71416 -13.2339 34.9838 GPRESSAVG: 4940200 -5.15747 4.95473 9.30527 8.89771 -19.6658 -11.7268 5.61691 -15.5193 34.8791 TIMING: 4940200 CPU: 14659.6, 0.00291571/step Wall: 14659.6, 0.00291571/step, 0.0484331 hours remaining, 210.015625 MB of memory in use. ENERGY: 4940200 752.4708 2075.0022 1928.8279 108.8978 -206116.5963 17865.7042 0.0000 0.0000 34227.1028 -149158.5905 298.9138 -183385.6933 -149063.2543 299.3314 37.5155 69.6717 557410.3909 3.4886 3.3519 LDB: ============= START OF LOAD BALANCING ============== 14663.1 LDB: ============== END OF LOAD BALANCING =============== 14663.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14663.1 LDB: ============= START OF LOAD BALANCING ============== 14663.4 LDB: Largest compute 4801 load 0.023249 is 19.7% of average load 0.118270 LDB: Average compute 0.001725 is 1.5% of average load 0.118270 LDB: TIME 14663.4 LOAD: AVG 0.11827 MAX 0.196669 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.09 MB LDB: TIME 14663.4 LOAD: AVG 0.11827 MAX 0.196669 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.09 MB LDB: TIME 14663.4 LOAD: AVG 0.11827 MAX 0.196669 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.09 MB LDB: ============== END OF LOAD BALANCING =============== 14663.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14663.4 PRESSURE: 4940400 23.1196 10.2952 77.1542 10.2953 -203.672 -67.525 77.1554 -67.5268 17.3405 GPRESSURE: 4940400 55.2439 43.0577 78.318 7.9836 -190.509 -84.3844 -5.09611 -52.9104 72.4416 PRESSAVG: 4940400 25.082 9.84603 52.9107 9.84599 -65.0183 -13.3634 52.9108 -13.3634 37.3529 GPRESSAVG: 4940400 25.103 11.7376 51.8057 5.94083 -65.8858 -12.5824 54.5165 -11.8304 38.2263 TIMING: 4940400 CPU: 14660.2, 0.00297288/step Wall: 14660.2, 0.00297288/step, 0.0492177 hours remaining, 208.039062 MB of memory in use. ENERGY: 4940400 793.5611 2074.4727 1925.4382 111.4119 -205844.6239 17660.5622 0.0000 0.0000 34305.9956 -148973.1820 299.6028 -183279.1777 -148876.9646 299.7939 -54.4038 -20.9413 558327.9320 -0.8611 -0.8522 PRESSURE: 4940600 110.49 73.2547 -144.624 73.2542 -31.4186 34.0238 -144.624 34.023 -149.147 GPRESSURE: 4940600 138.384 118.653 -153.812 34.3728 43.3809 73.3192 -63.6921 120.233 -157.173 PRESSAVG: 4940600 27.528 25.0005 38.7163 25.0005 -60.5711 19.4434 38.7162 19.4434 -17.919 GPRESSAVG: 4940600 28.3506 26.2214 37.3544 24.25 -60.6767 17.5118 37.9879 20.2518 -19.2012 TIMING: 4940600 CPU: 14660.8, 0.00293627/step Wall: 14660.8, 0.00293627/step, 0.0484484 hours remaining, 208.039062 MB of memory in use. ENERGY: 4940600 753.2915 2061.2402 1937.2007 110.1291 -206166.5957 18012.7633 0.0000 0.0000 34420.5431 -148871.4277 300.6032 -183291.9709 -148774.2431 299.8698 -23.3583 8.1971 558631.7284 -16.9873 -17.1758 PRESSURE: 4940800 -171.891 81.5942 90.5462 81.5951 -166.595 61.2757 90.5466 61.2766 -470.117 GPRESSURE: 4940800 -162.342 55.2273 78.7713 74.8391 -138.377 131.754 93.7432 -49.7405 -402.761 PRESSAVG: 4940800 -16.7639 87.9409 -39.0773 87.9409 2.8282 18.1957 -39.0774 18.1957 -45.9994 GPRESSAVG: 4940800 -18.2686 85.6199 -37.7986 88.902 2.23171 18.3427 -38.9689 19.8506 -44.2267 TIMING: 4940800 CPU: 14661.4, 0.00292551/step Wall: 14661.4, 0.00292551/step, 0.0481084 hours remaining, 208.039062 MB of memory in use. ENERGY: 4940800 721.2592 2040.8961 1943.2795 120.8108 -205204.9471 17349.2295 0.0000 0.0000 34174.9007 -148854.5713 298.4579 -183029.4720 -148756.4449 300.1022 -269.5344 -234.4933 560429.9969 -19.9783 -20.0879 PRESSURE: 4941000 -239.595 -56.6239 54.8242 -56.623 -212.037 -46.8863 54.8258 -46.8853 -66.2793 GPRESSURE: 4941000 -220.57 26.0518 142.928 -198.86 -155.824 -15.0757 86.9886 -91.1767 -44.7799 PRESSAVG: 4941000 -36.7782 3.50139 -100.618 3.5014 13.4166 -21.3732 -100.618 -21.3734 23.5936 GPRESSAVG: 4941000 -36.8342 5.08627 -98.6949 3.78507 13.4875 -21.0924 -101.897 -22.1575 23.438 TIMING: 4941000 CPU: 14662, 0.00293383/step Wall: 14662, 0.00293383/step, 0.0480822 hours remaining, 208.039062 MB of memory in use. ENERGY: 4941000 737.6556 2095.2282 1944.9233 114.3914 -205383.9174 17374.6216 0.0000 0.0000 34289.3566 -148827.7409 299.4575 -183117.0974 -148732.5636 300.0937 -172.6371 -140.3915 559663.2657 0.0773 0.0304 PRESSURE: 4941200 24.9825 -2.27579 78.7961 -2.27711 83.4419 -21.5018 78.7955 -21.5004 -248.148 GPRESSURE: 4941200 26.5143 61.2099 104.601 -50.8915 142.213 -19.9798 139.148 -8.91161 -216.254 PRESSAVG: 4941200 -28.6441 -21.5662 -0.338894 -21.5662 25.0402 26.847 -0.338878 26.8472 1.32828 GPRESSAVG: 4941200 -28.3034 -22.8369 -2.08105 -22.0477 25.0746 27.8618 0.0967285 26.2327 1.3882 TIMING: 4941200 CPU: 14662.5, 0.00291616/step Wall: 14662.5, 0.00291616/step, 0.0476305 hours remaining, 208.039062 MB of memory in use. ENERGY: 4941200 738.5083 2108.1512 1916.3795 110.4007 -205555.2045 17559.2933 0.0000 0.0000 34408.2164 -148714.2552 300.4955 -183122.4716 -148610.6970 300.3147 -46.5747 -15.8421 557746.0599 -0.7585 -0.6136 PRESSURE: 4941400 -118.405 47.6698 -161.898 47.67 -146.643 38.9828 -161.896 38.9827 -236.587 GPRESSURE: 4941400 -89.8874 76.482 -173.528 69.5722 -136.739 27.6681 -142.275 96.8481 -183.533 PRESSAVG: 4941400 37.9957 2.1976 19.8715 2.19762 -53.3275 50.5237 19.8715 50.5235 7.92196 GPRESSAVG: 4941400 38.3204 3.29251 21.5962 2.91245 -53.3268 51.0939 18.77 50.1014 7.4951 TIMING: 4941400 CPU: 14663.1, 0.00293491/step Wall: 14663.1, 0.00293491/step, 0.0477738 hours remaining, 208.039062 MB of memory in use. ENERGY: 4941400 732.4757 2033.9410 1943.2999 111.5228 -205699.8260 17560.7470 0.0000 0.0000 34475.6141 -148842.2255 301.0841 -183317.8396 -148743.3289 300.0745 -167.2117 -136.7198 559103.5007 -2.4699 -2.5038 PRESSURE: 4941600 -111.366 -120.173 72.2213 -120.174 -329.153 -87.9245 72.2194 -87.9246 -289.211 GPRESSURE: 4941600 -131.611 -163.737 45.8175 -94.6498 -230.495 -69.2204 57.0694 -45.0404 -275.62 PRESSAVG: 4941600 20.2832 44.9405 34.9388 44.9406 2.8316 -19.7107 34.9388 -19.7107 -19.89 GPRESSAVG: 4941600 20.8678 43.8955 34.2057 45.2098 2.47871 -20.5518 35.8566 -17.9474 -20.1787 TIMING: 4941600 CPU: 14663.7, 0.00295846/step Wall: 14663.7, 0.00295846/step, 0.0479928 hours remaining, 208.039062 MB of memory in use. ENERGY: 4941600 719.8439 2029.1955 1934.8165 137.5560 -205798.0078 17507.9909 0.0000 0.0000 34579.5097 -148889.0953 301.9915 -183468.6050 -148794.6345 300.1379 -243.2434 -212.5753 558956.7236 1.0749 1.0559 PRESSURE: 4941800 -185.768 61.4273 -182.479 61.4261 69.9882 145.641 -182.481 145.642 -214.488 GPRESSURE: 4941800 -130.435 -3.97515 -214.839 105.232 79.0905 83.5216 -254.316 90.7116 -176.232 PRESSAVG: 4941800 -19.8398 11.1193 -17.6637 11.1193 26.0165 -4.23226 -17.6639 -4.23235 20.6558 GPRESSAVG: 4941800 -20.2057 10.3479 -17.3842 11.2009 26.2779 -4.40804 -15.9645 -5.50813 21.1669 TIMING: 4941800 CPU: 14664.3, 0.00295529/step Wall: 14664.3, 0.00295529/step, 0.0477772 hours remaining, 208.039062 MB of memory in use. ENERGY: 4941800 766.4801 2068.6410 1939.9588 110.3762 -205718.4950 17748.9688 0.0000 0.0000 34267.3928 -148816.6773 299.2657 -183084.0702 -148717.5870 300.4663 -110.0893 -75.8588 559372.7728 8.9442 9.0797 PRESSURE: 4942000 -139.834 8.46877 -138.923 8.47022 129.749 -201.118 -138.924 -201.115 177.335 GPRESSURE: 4942000 -40.2596 12.3679 -149.302 47.8283 62.064 -262.317 -106.69 -127.757 244.935 PRESSAVG: 4942000 -30.0598 -38.7348 -72.3731 -38.7348 8.36792 -9.54737 -72.3731 -9.54749 37.4263 GPRESSAVG: 4942000 -30.5792 -36.9418 -71.972 -38.6421 8.44342 -9.66723 -74.0485 -9.36259 38.7845 TIMING: 4942000 CPU: 14664.9, 0.00295868/step Wall: 14664.9, 0.00295868/step, 0.0476676 hours remaining, 208.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4942000 711.7761 2082.6778 1945.4838 115.4215 -205888.8996 17860.0047 0.0000 0.0000 34164.7740 -149008.7617 298.3695 -183173.5357 -148915.0450 300.0560 55.7499 88.9130 557786.9474 5.2448 5.5496 PRESSURE: 4942200 256.045 187.99 -35.3054 187.987 -12.1325 5.23546 -35.3047 5.23784 -385.011 GPRESSURE: 4942200 229.046 190.123 -61.3639 212.476 56.255 71.9326 -48.6564 31.7348 -331.694 PRESSAVG: 4942200 45.8454 28.7425 -43.5367 28.7425 21.1665 -31.1805 -43.5368 -31.1805 -48.3071 GPRESSAVG: 4942200 47.3537 29.8244 -42.8884 28.1012 21.211 -28.8406 -43.2159 -32.5798 -49.4688 TIMING: 4942200 CPU: 14665.5, 0.00297088/step Wall: 14665.5, 0.00297088/step, 0.0476992 hours remaining, 208.039062 MB of memory in use. ENERGY: 4942200 776.8935 2058.2782 1948.8235 112.5232 -205801.5995 17629.5305 0.0000 0.0000 34322.0064 -148953.5442 299.7426 -183275.5506 -148863.9064 300.2507 -47.0328 -15.4643 557666.9731 6.2349 6.3653 PRESSURE: 4942400 12.9353 97.5512 -68.5552 97.5527 40.3542 66.8978 -68.5544 66.8983 -127.847 GPRESSURE: 4942400 97.9937 132.304 -123.544 -3.42211 29.3053 -1.77397 -108.613 33.3317 -109.245 PRESSAVG: 4942400 79.0721 10.1376 -8.56003 10.1376 -9.37143 22.5171 -8.56007 22.5171 -49.5251 GPRESSAVG: 4942400 78.0434 10.1917 -9.26184 8.81903 -8.67663 20.5496 -8.60925 24.4935 -48.6458 TIMING: 4942400 CPU: 14666.1, 0.00295603/step Wall: 14666.1, 0.00295603/step, 0.0472965 hours remaining, 208.039062 MB of memory in use. ENERGY: 4942400 740.0921 2081.4136 1937.3609 103.0843 -205761.1167 17614.2480 0.0000 0.0000 34375.2683 -148909.6494 300.2078 -183284.9177 -148807.7895 300.2994 -24.8526 6.0178 557005.1953 6.7252 6.9070 PRESSURE: 4942600 -305.628 -57.3844 109.47 -57.3839 74.6398 -111.893 109.471 -111.893 -99.3715 GPRESSURE: 4942600 -286.811 -107.026 109.073 82.7502 68.1392 -134.705 60.7224 -113.552 -17.7119 PRESSAVG: 4942600 -13.8289 0.328862 -47.6434 0.328817 43.6485 -9.62428 -47.6434 -9.62429 -49.656 GPRESSAVG: 4942600 -13.9936 -3.1095 -47.7086 2.3862 43.0036 -9.16151 -46.6283 -10.7515 -49.2273 TIMING: 4942600 CPU: 14666.7, 0.00295434/step Wall: 14666.7, 0.00295434/step, 0.0471054 hours remaining, 208.039062 MB of memory in use. ENERGY: 4942600 768.8554 2091.0259 1950.4630 112.8683 -205996.5260 17690.7490 0.0000 0.0000 34447.7387 -148934.8257 300.8407 -183382.5644 -148835.2197 300.2463 -110.1200 -78.7945 555697.4806 -6.6121 -6.7391 PRESSURE: 4942800 -231.604 82.0674 -11.594 82.0685 76.7567 31.5403 -11.5943 31.5388 -317.178 GPRESSURE: 4942800 -155.902 88.2194 82.1716 59.835 68.2158 5.25058 -31.2947 22.0073 -277.06 PRESSAVG: 4942800 29.9149 -23.3339 3.69407 -23.3339 26.8508 -5.59303 3.69414 -5.59317 -62.9076 GPRESSAVG: 4942800 29.3952 -22.8012 3.7843 -22.8505 28.3974 -5.1628 2.70026 -4.73188 -63.227 TIMING: 4942800 CPU: 14667.3, 0.00293056/step Wall: 14667.3, 0.00293056/step, 0.0465633 hours remaining, 208.039062 MB of memory in use. ENERGY: 4942800 802.8140 2071.8438 1918.3846 112.6425 -205563.6993 17417.8402 0.0000 0.0000 34386.1754 -148853.9988 300.3030 -183240.1742 -148751.2768 300.4614 -157.3415 -121.5820 557273.3174 -2.0473 -1.8115 PRESSURE: 4943000 -382.543 -7.60503 43.5917 -7.60567 -107.623 -26.488 43.5918 -26.488 -57.5569 GPRESSURE: 4943000 -272.127 -98.7068 76.7474 15.6536 -146.287 -39.4085 86.0624 28.8859 -29.4051 PRESSAVG: 4943000 -20.2781 14.4119 42.4018 14.4119 60.967 -24.6826 42.4018 -24.6827 -23.9105 GPRESSAVG: 4943000 -17.9168 15.2468 41.3593 14.9491 60.0048 -26.3003 44.2326 -23.5828 -24.3161 TIMING: 4943000 CPU: 14667.9, 0.00293568/step Wall: 14667.9, 0.00293568/step, 0.0464817 hours remaining, 208.039062 MB of memory in use. ENERGY: 4943000 744.5034 2063.4305 1943.3507 119.1916 -205150.2638 17442.0189 0.0000 0.0000 34290.7404 -148547.0285 299.4696 -182837.7689 -148457.8738 300.9076 -182.5740 -149.2731 558641.0241 5.5928 5.9240 PRESSURE: 4943200 13.9369 -158.016 -123.441 -158.015 224.2 12.548 -123.443 12.5466 153.245 GPRESSURE: 4943200 59.7452 -178.915 -183.909 -67.6881 238.642 -63.6552 -97.8276 2.5642 198.161 PRESSAVG: 4943200 -28.5463 21.3054 -41.3216 21.3053 -34.3378 -35.6986 -41.3216 -35.6987 28.389 GPRESSAVG: 4943200 -29.4973 23.0215 -40.5794 19.4708 -33.8044 -34.649 -42.1591 -38.2213 28.4671 TIMING: 4943200 CPU: 14668.4, 0.00291375/step Wall: 14668.4, 0.00291375/step, 0.0459725 hours remaining, 208.039062 MB of memory in use. ENERGY: 4943200 755.2139 2069.2240 1935.0276 116.1486 -206149.2213 18024.6496 0.0000 0.0000 34580.7482 -148668.2093 302.0023 -183248.9575 -148568.6689 301.1236 130.4606 165.5163 557826.1710 -11.4984 -11.6115 PRESSURE: 4943400 -73.3616 136.53 -195.941 136.529 -116.529 -69.9859 -195.942 -69.9852 -272.946 GPRESSURE: 4943400 3.48878 138.23 -182.351 113.888 -169.182 -51.1584 -188.243 -35.674 -218.403 PRESSAVG: 4943400 -38.051 -8.61648 -56.5507 -8.61644 35.3025 -15.1583 -56.5507 -15.1583 -38.7073 GPRESSAVG: 4943400 -37.7019 -10.5598 -55.2788 -8.39412 35.0844 -15.6431 -56.8548 -15.4782 -39.2696 TIMING: 4943400 CPU: 14669, 0.00291222/step Wall: 14669, 0.00291222/step, 0.0457866 hours remaining, 208.039062 MB of memory in use. ENERGY: 4943400 710.6063 2085.3295 1930.1834 122.0272 -205684.5027 17438.7501 0.0000 0.0000 34594.5349 -148803.0713 302.1227 -183397.6062 -148704.5898 300.9140 -154.2789 -128.0322 560782.0811 -13.8186 -13.9624 PRESSURE: 4943600 159.548 66.5324 55.8292 66.5319 108.658 10.3215 55.8292 10.3196 151.33 GPRESSURE: 4943600 145.291 43.1494 88.1656 5.93676 126.637 -50.9952 2.29086 64.8123 234.971 PRESSAVG: 4943600 53.4842 35.686 -1.86024 35.686 -46.4658 -0.701731 -1.86025 -0.701681 32.0758 GPRESSAVG: 4943600 52.9966 34.2857 -3.49795 36.6541 -46.7014 -1.80779 -0.610667 1.75086 32.4746 TIMING: 4943600 CPU: 14669.6, 0.00295017/step Wall: 14669.6, 0.00295017/step, 0.0462193 hours remaining, 208.039062 MB of memory in use. ENERGY: 4943600 749.9291 2081.6438 1935.8273 109.8015 -206225.8956 17964.1763 0.0000 0.0000 34354.7841 -149029.7335 300.0289 -183384.5176 -148927.7680 300.3366 139.8453 168.9661 558226.8984 13.0314 12.9233 PRESSURE: 4943800 37.4788 165.472 -131.016 165.472 -99.6002 -24.3905 -131.015 -24.3899 -101.205 GPRESSURE: 4943800 78.8485 148.239 -123.147 170.753 -67.3782 25.2592 -206.822 -59.3048 -69.4568 PRESSAVG: 4943800 68.7782 50.7361 -58.5895 50.736 -35.829 80.4581 -58.5894 80.4582 -33.762 GPRESSAVG: 4943800 68.4496 51.3161 -57.7751 51.3023 -36.5558 82.4459 -58.9894 81.0141 -32.7647 TIMING: 4943800 CPU: 14670.2, 0.00293399/step Wall: 14670.2, 0.00293399/step, 0.0458029 hours remaining, 208.039062 MB of memory in use. ENERGY: 4943800 765.5547 2101.2634 1931.4769 109.6887 -206043.2812 17789.6490 0.0000 0.0000 34148.5856 -149197.0629 298.2281 -183345.6485 -149105.1251 299.3419 -54.4421 -19.3288 559626.6103 -0.2709 -0.2903 PRESSURE: 4944000 136.543 106.089 -50.6612 106.088 13.5447 60.4194 -50.6615 60.4193 353.657 GPRESSURE: 4944000 160.963 143.176 -22.1007 15.3301 48.7175 83.64 -120.741 14.4231 383.796 PRESSAVG: 4944000 -16.0611 12.8896 -72.2095 12.8896 -34.4127 -26.5259 -72.2095 -26.5259 57.3761 GPRESSAVG: 4944000 -16.7173 13.4793 -75.3636 10.0523 -33.8241 -27.2621 -71.3188 -27.5134 57.185 TIMING: 4944000 CPU: 14670.8, 0.00292209/step Wall: 14670.8, 0.00292209/step, 0.0454548 hours remaining, 208.039062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4944000 769.3273 2041.7896 1927.3903 107.5031 -206407.4962 18084.7508 0.0000 0.0000 34134.2342 -149342.5010 298.1028 -183476.7352 -149243.7416 298.6002 167.9152 197.8254 558482.1688 2.3008 2.2145 PRESSURE: 4944200 -186.488 -168.842 -25.4448 -168.842 22.1144 -34.2317 -25.446 -34.233 20.7752 GPRESSURE: 4944200 -187.266 -103.669 -40.0285 -196.335 55.3522 -28.2572 -3.44302 -78.3738 82.5442 PRESSAVG: 4944200 -53.3617 -10.9836 -14.4946 -10.9837 23.1493 -37.5645 -14.4947 -37.5644 3.4256 GPRESSAVG: 4944200 -52.4796 -10.3259 -13.3784 -11.2774 22.7738 -35.6562 -14.4191 -38.416 3.13567 TIMING: 4944200 CPU: 14671.4, 0.00293557/step Wall: 14671.4, 0.00293557/step, 0.0455014 hours remaining, 208.039062 MB of memory in use. ENERGY: 4944200 718.0524 2052.5356 1925.3542 114.1162 -206189.8079 17812.3090 0.0000 0.0000 34120.4915 -149446.9490 297.9827 -183567.4404 -149349.3772 297.9646 -47.8660 -16.4565 557833.9758 -8.9289 -8.8567 LDB: ============= START OF LOAD BALANCING ============== 14674.9 LDB: ============== END OF LOAD BALANCING =============== 14674.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14674.9 LDB: ============= START OF LOAD BALANCING ============== 14675.2 LDB: Largest compute 4801 load 0.024540 is 20.8% of average load 0.118232 LDB: Average compute 0.001727 is 1.5% of average load 0.118232 LDB: TIME 14675.2 LOAD: AVG 0.118232 MAX 0.196164 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.832 MB LDB: TIME 14675.2 LOAD: AVG 0.118232 MAX 0.196164 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.895 MB LDB: TIME 14675.2 LOAD: AVG 0.118232 MAX 0.196164 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.895 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14675.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14675.2 PRESSURE: 4944400 13.0014 46.8834 47.252 46.8847 156.683 64.9267 47.2534 64.9261 112.162 GPRESSURE: 4944400 24.6035 66.3578 34.9163 109.533 204.695 133.834 41.7111 61.5203 164.057 PRESSAVG: 4944400 26.7126 7.34529 -18.3752 7.34553 -0.462694 34.6996 -18.3752 34.6996 -32.2931 GPRESSAVG: 4944400 27.0687 5.70203 -17.067 11.4397 -0.130845 32.917 -20.3153 35.4926 -32.1591 TIMING: 4944400 CPU: 14672, 0.00299755/step Wall: 14672, 0.00299755/step, 0.0462954 hours remaining, 209.320312 MB of memory in use. ENERGY: 4944400 727.8368 2038.6188 1929.2396 119.8412 -206572.6894 18093.6134 0.0000 0.0000 34273.5677 -149389.9719 299.3196 -183663.5396 -149293.7268 298.5375 93.9486 131.1186 558160.3504 -2.0144 -1.7404 PRESSURE: 4944600 275.233 41.3816 14.9675 41.3824 181.155 -25.5815 14.9674 -25.5824 -1.49954 GPRESSURE: 4944600 319.445 91.7231 45.8329 -61.2981 201.124 5.34512 133.932 8.15118 38.8869 PRESSAVG: 4944600 -58.587 -20.9724 -38.5573 -20.9725 70.311 -16.6961 -38.5573 -16.6962 -26.6453 GPRESSAVG: 4944600 -58.9344 -19.4828 -39.397 -25.0818 71.4563 -16.9435 -37.1461 -16.1415 -27.3194 TIMING: 4944600 CPU: 14672.6, 0.00295397/step Wall: 14672.6, 0.00295396/step, 0.0454582 hours remaining, 209.320312 MB of memory in use. ENERGY: 4944600 697.7531 2083.4870 1927.0311 111.7277 -206730.1700 18107.1807 0.0000 0.0000 34465.4922 -149337.4982 300.9957 -183802.9904 -149235.2007 298.2773 151.6293 186.4851 558668.4658 -4.9737 -4.9325 PRESSURE: 4944800 151.716 -96.3672 -47.4797 -96.3681 57.9897 -23.9172 -47.4789 -23.917 138.639 GPRESSURE: 4944800 159.39 -119.972 -143.8 -102.723 72.1279 83.8419 -32.5636 -49.5779 221.125 PRESSAVG: 4944800 28.1862 18.1896 -29.5195 18.1895 30.8176 -16.8029 -29.5195 -16.8028 -25.762 GPRESSAVG: 4944800 27.4401 16.8818 -28.1833 19.2717 30.4622 -15.2937 -30.9551 -18.7369 -24.7497 TIMING: 4944800 CPU: 14673.1, 0.00294452/step Wall: 14673.1, 0.00294452/step, 0.0451493 hours remaining, 209.320312 MB of memory in use. ENERGY: 4944800 747.7441 2111.1026 1936.5331 118.8189 -206708.2316 18197.2696 0.0000 0.0000 34251.4679 -149345.2954 299.1266 -183596.7633 -149239.7952 298.6161 116.1151 150.8808 557990.9183 11.0806 11.0509 PRESSURE: 4945000 -145.963 75.3642 81.1988 75.3651 52.5283 115.5 81.1983 115.499 -81.445 GPRESSURE: 4945000 -135.122 21.0173 177.113 102.926 91.3248 160.988 61.8529 156.594 -32.1839 PRESSAVG: 4945000 -14.1842 -7.93358 33.3209 -7.93353 21.9119 -23.3721 33.3208 -23.3721 5.56168 GPRESSAVG: 4945000 -12.9317 -8.31491 33.4978 -9.61664 22.4058 -25.124 34.6684 -20.2045 4.69302 TIMING: 4945000 CPU: 14673.7, 0.00294098/step Wall: 14673.7, 0.00294098/step, 0.0449317 hours remaining, 209.320312 MB of memory in use. ENERGY: 4945000 747.6023 2061.2420 1949.8368 105.5845 -206010.8372 17797.2361 0.0000 0.0000 34269.7636 -149079.5719 299.2864 -183349.3355 -148975.1339 299.3792 -58.2931 -25.3270 559124.6882 4.4298 4.7224 PRESSURE: 4945200 -48.1515 111.342 -50.2713 111.341 272.612 -4.39233 -50.2713 -4.39177 166.987 GPRESSURE: 4945200 34.0986 142.691 -37.5646 15.3362 260.397 -11.0464 -63.6304 52.8851 209.612 PRESSAVG: 4945200 -33.2401 5.13107 -0.487971 5.13118 32.9412 56.8241 -0.487974 56.824 27.3666 GPRESSAVG: 4945200 -34.0614 5.76393 -1.91974 5.64025 33.1382 55.4581 -0.472893 57.8575 29.0365 TIMING: 4945200 CPU: 14674.3, 0.00291319/step Wall: 14674.3, 0.00291319/step, 0.0443453 hours remaining, 209.320312 MB of memory in use. ENERGY: 4945200 732.2165 2111.5885 1911.6947 110.1229 -206299.5925 18084.6397 0.0000 0.0000 34213.1767 -149136.1536 298.7922 -183349.3303 -149045.7779 299.9858 130.4825 168.0360 558177.8276 9.0226 9.3711 PRESSURE: 4945400 -290.046 112.289 -62.3949 112.29 26.5735 -117.915 -62.3958 -117.914 -93.907 GPRESSURE: 4945400 -285.422 112.111 -4.79376 61.2323 36.0432 -61.0337 -110.009 -112.031 0.620346 PRESSAVG: 4945400 28.8 6.57718 -13.3036 6.57722 21.8689 16.1374 -13.3037 16.1375 -7.10279 GPRESSAVG: 4945400 29.7782 7.82983 -12.4169 6.6821 21.4713 20.2382 -14.7367 13.3569 -7.60997 TIMING: 4945400 CPU: 14674.9, 0.00291894/step Wall: 14674.9, 0.00291894/step, 0.0442707 hours remaining, 209.320312 MB of memory in use. ENERGY: 4945400 736.6817 2076.0233 1944.3591 104.2484 -206132.8486 17749.3469 0.0000 0.0000 34438.6291 -149083.5601 300.7611 -183522.1893 -148988.3809 299.8613 -119.1266 -82.9194 557244.3039 14.5220 14.5465 PRESSURE: 4945600 243.527 24.9494 -244.398 24.9482 -10.729 -34.9983 -244.398 -34.9999 189.126 GPRESSURE: 4945600 234.002 -3.31578 -218.705 -15.7824 4.41064 -33.4048 -175.605 -35.3113 289.766 PRESSAVG: 4945600 84.403 -1.54102 -22.6395 -1.54097 -78.3132 -46.6129 -22.6396 -46.613 23.5666 GPRESSAVG: 4945600 84.7663 -3.17247 -24.1195 -0.478415 -79.3992 -48.1805 -21.749 -45.7078 24.1358 TIMING: 4945600 CPU: 14675.5, 0.00293057/step Wall: 14675.5, 0.00293057/step, 0.0442841 hours remaining, 209.320312 MB of memory in use. ENERGY: 4945600 761.2227 2093.4312 1937.4121 120.2213 -206693.9916 18205.1844 0.0000 0.0000 34360.6833 -149215.8365 300.0804 -183576.5199 -149115.8366 300.2994 140.6414 176.0596 556761.3147 9.8855 9.8343 PRESSURE: 4945800 -628.35 -82.2656 -363.773 -82.2655 5.08407 -168.843 -363.773 -168.844 -230.938 GPRESSURE: 4945800 -512.583 -57.165 -327.252 -41.2873 -12.149 -146.805 -405.34 -160.794 -238.031 PRESSAVG: 4945800 -47.6767 15.2404 -41.1917 15.2403 50.3189 -51.7756 -41.1917 -51.7756 14.9108 GPRESSAVG: 4945800 -46.3471 14.3348 -40.2542 15.1588 50.3853 -51.9025 -42.2705 -53.6666 13.8191 TIMING: 4945800 CPU: 14676.1, 0.00293271/step Wall: 14676.1, 0.00293271/step, 0.0441536 hours remaining, 209.320312 MB of memory in use. ENERGY: 4945800 751.6781 2133.9540 1910.1100 112.3445 -206017.4252 17385.9002 0.0000 0.0000 34479.9672 -149243.4712 301.1221 -183723.4385 -149146.0339 299.6180 -284.7348 -254.2541 557544.6859 5.8510 5.9524 PRESSURE: 4946000 -74.3414 -36.5349 18.1376 -36.5349 69.6637 2.04186 18.1378 2.04203 69.1007 GPRESSURE: 4946000 -41.1073 -18.2424 -40.9187 -18.5771 125.284 24.3687 44.1244 -25.6295 65.8073 PRESSAVG: 4946000 -48.2779 14.1354 -20.2615 14.1354 86.3286 -15.1865 -20.2614 -15.1865 -12.4408 GPRESSAVG: 4946000 -49.3627 16.4979 -21.164 13.4061 87.0797 -16.0792 -21.0899 -13.4765 -12.2647 TIMING: 4946000 CPU: 14676.7, 0.00292423/step Wall: 14676.7, 0.00292423/step, 0.0438634 hours remaining, 209.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4946000 768.2050 2056.5854 1923.0449 112.9232 -206359.0706 17798.9984 0.0000 0.0000 34464.5187 -149234.7950 300.9872 -183699.3137 -149138.5909 299.9774 21.4743 49.9947 555908.5744 8.5366 8.4841 PRESSURE: 4946200 -109.499 111.762 113.843 111.762 56.6434 -39.3895 113.843 -39.3907 -21.635 GPRESSURE: 4946200 -75.4259 61.9794 115.796 150.437 29.516 -71.029 113.097 11.8851 68.4056 PRESSAVG: 4946200 -29.8651 8.30245 47.8121 8.30237 -10.7811 17.9154 47.812 17.9155 45.983 GPRESSAVG: 4946200 -29.7818 7.94311 46.8519 7.47427 -11.8587 17.8262 50.6608 17.978 46.7686 TIMING: 4946200 CPU: 14677.2, 0.00292889/step Wall: 14677.2, 0.00292889/step, 0.0437706 hours remaining, 209.320312 MB of memory in use. ENERGY: 4946200 733.3298 2087.0313 1886.8802 109.2458 -206176.6414 17778.7426 0.0000 0.0000 34298.1387 -149283.2730 299.5342 -183581.4117 -149181.2881 299.0457 -24.8303 7.4985 557816.4775 1.7789 1.7094 PRESSURE: 4946400 112.753 264.705 -32.3725 264.704 16.2073 0.0694512 -32.373 0.0691679 106.999 GPRESSURE: 4946400 147.632 234.858 -66.3249 269.932 58.0218 46.6655 -70.2973 34.7411 140.942 PRESSAVG: 4946400 21.6232 37.6767 40.4212 37.6768 22.0474 -33.6277 40.4213 -33.6277 -0.647322 GPRESSAVG: 4946400 21.1648 37.4443 41.1763 37.484 22.203 -32.6547 39.3211 -34.1241 -0.82879 TIMING: 4946400 CPU: 14677.8, 0.00293139/step Wall: 14677.8, 0.00293139/step, 0.0436451 hours remaining, 209.320312 MB of memory in use. ENERGY: 4946400 739.4364 2109.6233 1937.5504 106.3867 -206444.9277 17988.5196 0.0000 0.0000 34271.5093 -149291.9021 299.3016 -183563.4113 -149197.0345 299.0610 78.6533 115.5320 558654.8337 14.3411 14.1797 PRESSURE: 4946600 39.8358 84.0739 -23.6041 84.0718 62.7593 228.324 -23.6039 228.324 9.13605 GPRESSURE: 4946600 37.7625 51.6403 39.5975 20.2013 111.801 95.6215 29.9248 250 63.2632 PRESSAVG: 4946600 -8.93595 28.7107 54.2786 28.7106 3.72016 9.83666 54.2786 9.83684 -11.8917 GPRESSAVG: 4946600 -9.47042 30.553 54.1732 29.8244 2.98587 10.1804 54.3134 10.2037 -11.0314 TIMING: 4946600 CPU: 14678.4, 0.00295031/step Wall: 14678.4, 0.00295031/step, 0.0437629 hours remaining, 209.320312 MB of memory in use. ENERGY: 4946600 773.4514 2160.5985 1934.7852 111.3924 -206602.3300 18147.4250 0.0000 0.0000 34270.4789 -149204.1986 299.2926 -183474.6775 -149106.9665 299.5833 37.2437 70.9422 556474.9638 -5.7025 -5.8387 PRESSURE: 4946800 -121.265 59.5318 -72.6446 59.5318 -6.04858 -10.3037 -72.6439 -10.3045 323.18 GPRESSURE: 4946800 -78.3054 76.323 -162.866 73.2878 30.9808 -97.297 -30.8878 15.1377 330.853 PRESSAVG: 4946800 22.9232 -43.5045 14.5815 -43.5044 10.6636 -22.2365 14.5815 -22.2365 -36.6957 GPRESSAVG: 4946800 22.2865 -45.7432 15.234 -41.9423 11.2553 -22.545 16.1965 -20.9375 -37.639 TIMING: 4946800 CPU: 14679, 0.00295325/step Wall: 14679, 0.00295325/step, 0.0436425 hours remaining, 209.320312 MB of memory in use. ENERGY: 4946800 738.9634 2134.3936 1959.3993 107.0093 -206322.0131 17950.9782 0.0000 0.0000 34164.0575 -149267.2119 298.3632 -183431.2693 -149175.2666 298.8133 65.2888 94.5095 557717.0119 -1.0363 -1.3658 PRESSURE: 4947000 -172.883 6.06365 233.879 6.06322 -191.557 -72.1798 233.879 -72.1809 -198.641 GPRESSURE: 4947000 -49.0712 -9.01747 216.818 -22.9984 -219.525 -79.5451 227.135 -64.1896 -197.853 PRESSAVG: 4947000 -3.55163 41.0334 64.6226 41.0335 42.0081 2.99514 64.6228 2.99513 -11.9422 GPRESSAVG: 4947000 -2.70357 40.2128 64.7585 38.7059 41.1205 3.58469 64.559 0.527224 -12.2028 TIMING: 4947000 CPU: 14679.6, 0.00296102/step Wall: 14679.6, 0.00296102/step, 0.0435927 hours remaining, 209.320312 MB of memory in use. ENERGY: 4947000 701.7474 2079.5634 1930.9511 105.3893 -205853.6401 17509.9486 0.0000 0.0000 34220.8985 -149305.1419 298.8596 -183526.0404 -149205.8475 299.1873 -187.6935 -155.4830 559459.1357 8.8381 8.7381 PRESSURE: 4947200 -181.106 -26.1213 -166.265 -26.1211 -37.9722 118.971 -166.264 118.971 -177.464 GPRESSURE: 4947200 -142.527 30.0671 -217.388 51.0585 -51.1542 129.097 -229.737 47.7552 -96.293 PRESSAVG: 4947200 -29.4252 21.2141 0.491275 21.2141 23.5747 -17.6366 0.491281 -17.6366 -12.8602 GPRESSAVG: 4947200 -31.2174 22.2491 1.78978 22.7259 26.1779 -17.984 0.832896 -16.4008 -13.5693 TIMING: 4947200 CPU: 14680.2, 0.00294235/step Wall: 14680.2, 0.00294235/step, 0.0431544 hours remaining, 209.320312 MB of memory in use. ENERGY: 4947200 772.3553 2138.8848 1928.8595 96.0137 -205876.6450 17611.9231 0.0000 0.0000 34121.0443 -149207.5644 297.9876 -183328.6086 -149107.4829 298.7511 -132.1808 -96.6579 558042.4923 -6.2369 -6.2030 PRESSURE: 4947400 106.396 24.3455 -41.8754 24.3453 73.9349 -34.0049 -41.8762 -34.0052 92.8499 GPRESSURE: 4947400 154.248 38.9677 -43.15 37.495 61.6134 22.2498 52.7412 26.6921 149.601 PRESSAVG: 4947400 37.8225 28.1208 -10.5466 28.1207 -38.4881 -17.9207 -10.5466 -17.9208 -24.8786 GPRESSAVG: 4947400 38.89 29.2792 -11.9875 26.4407 -39.0438 -18.1353 -11.0555 -17.9203 -24.8855 TIMING: 4947400 CPU: 14680.8, 0.00291468/step Wall: 14680.8, 0.00291468/step, 0.0425867 hours remaining, 209.320312 MB of memory in use. ENERGY: 4947400 723.0124 2052.5054 1974.7016 111.8134 -206104.5181 18010.1410 0.0000 0.0000 33932.3670 -149299.9773 296.3398 -183232.3443 -149201.6104 298.8593 91.0602 121.8207 557092.0981 -8.5148 -8.3464 PRESSURE: 4947600 -260.498 142.499 23.2313 142.498 -411.651 305.289 23.2295 305.289 -204.893 GPRESSURE: 4947600 -223.72 141.477 78.7875 186.834 -369.225 277.704 -22.8566 290.756 -169.458 PRESSAVG: 4947600 -4.62912 18.441 -21.9151 18.441 3.30263 17.9597 -21.9153 17.9596 26.333 GPRESSAVG: 4947600 -3.64109 19.5951 -22.1526 18.401 1.48768 17.3324 -22.4222 16.7735 27.4895 TIMING: 4947600 CPU: 14681.4, 0.00291738/step Wall: 14681.4, 0.00291738/step, 0.0424641 hours remaining, 209.320312 MB of memory in use. ENERGY: 4947600 726.6151 2075.9275 1925.3189 105.5577 -205693.6305 17511.6267 0.0000 0.0000 34150.4387 -149198.1459 298.2443 -183348.5846 -149101.7356 298.5462 -292.3474 -254.1344 559874.4503 8.3355 8.4454 PRESSURE: 4947800 -67.6573 -48.3834 -54.8273 -48.3845 17.7874 -81.8228 -54.827 -81.8237 24.0843 GPRESSURE: 4947800 14.6739 -56.7418 -37.6588 68.4266 22.306 -74.1266 -78.5631 -26.0378 20.8757 PRESSAVG: 4947800 17.1886 -1.36281 31.9853 -1.36287 47.0631 -3.9683 31.9853 -3.96833 -63.1637 GPRESSAVG: 4947800 16.4655 -1.0648 31.9899 -0.120078 48.754 -3.41487 31.3003 -1.54406 -64.7673 TIMING: 4947800 CPU: 14681.9, 0.00291774/step Wall: 14681.9, 0.00291774/step, 0.0423072 hours remaining, 209.320312 MB of memory in use. ENERGY: 4947800 757.9097 2090.6858 1939.6249 104.9241 -206254.4231 17763.7158 0.0000 0.0000 34371.9757 -149225.5871 300.1790 -183597.5628 -149127.1810 298.5236 -8.5952 19.2852 557879.5615 0.3627 0.1507 PRESSURE: 4948000 -32.4628 50.1497 83.6961 50.149 -148.262 21.5188 83.6956 21.5199 176.088 GPRESSURE: 4948000 -13.385 -6.64489 39.294 37.9111 -55.3183 8.98426 120.424 104.8 169.117 PRESSAVG: 4948000 -65.7995 27.938 9.82829 27.9379 41.2642 0.192486 9.82838 0.192512 2.89788 GPRESSAVG: 4948000 -66.3576 25.7711 9.78794 27.5946 41.6026 -1.13971 10.5752 0.683416 3.43897 TIMING: 4948000 CPU: 14682.5, 0.00292609/step Wall: 14682.5, 0.00292609/step, 0.0422657 hours remaining, 209.320312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4948000 735.6553 2038.9534 1926.9685 113.7347 -206248.8045 17834.2844 0.0000 0.0000 34329.5914 -149269.6168 299.8089 -183599.2082 -149179.7237 299.6671 -1.5455 33.4712 557943.6789 -7.2125 -7.1053 PRESSURE: 4948200 -195.912 67.5748 -175.371 67.5747 -145.327 -54.427 -175.371 -54.4268 -106.854 GPRESSURE: 4948200 -199.682 44.6164 -217.029 90.7915 -121.486 -15.1604 -187.034 -41.9263 -23.6447 PRESSAVG: 4948200 1.23229 -1.89052 33.602 -1.89048 32.3003 -10.7289 33.6019 -10.729 -77.8204 GPRESSAVG: 4948200 0.25176 -2.27911 34.0015 -0.301686 32.5902 -10.3689 32.7754 -11.9984 -77.6725 TIMING: 4948200 CPU: 14683.1, 0.00293492/step Wall: 14683.1, 0.00293492/step, 0.0422302 hours remaining, 209.320312 MB of memory in use. ENERGY: 4948200 732.4266 2065.3283 1939.2991 86.9117 -206024.3882 17694.9863 0.0000 0.0000 34257.3980 -149248.0380 299.1784 -183505.4361 -149157.8749 299.3155 -149.3641 -114.9376 559351.6157 -14.7626 -14.9435 LDB: ============= START OF LOAD BALANCING ============== 14686.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14686.7 LDB: =============== DONE WITH MIGRATION ================ 14686.7 LDB: ============= START OF LOAD BALANCING ============== 14687 LDB: Largest compute 4801 load 0.023308 is 19.7% of average load 0.118240 LDB: Average compute 0.001719 is 1.5% of average load 0.118240 LDB: TIME 14687 LOAD: AVG 0.11824 MAX 0.198566 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.832 MB LDB: TIME 14687 LOAD: AVG 0.11824 MAX 0.198566 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.031 MB LDB: TIME 14687 LOAD: AVG 0.11824 MAX 0.198566 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.031 MB LDB: ============== END OF LOAD BALANCING =============== 14687 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14687 PRESSURE: 4948400 -217.098 -32.2214 156.231 -32.2216 26.0091 90.5036 156.231 90.5039 -111.408 GPRESSURE: 4948400 -181.408 -63.8674 205.168 6.66595 37.9235 95.3985 60.5758 37.5516 -65.6719 PRESSAVG: 4948400 5.74996 -11.281 -7.11835 -11.2811 40.7469 -43.6533 -7.11832 -43.6533 -1.18687 GPRESSAVG: 4948400 4.90996 -9.74042 -6.13631 -12.8723 40.6565 -44.238 -6.65182 -42.7798 0.301347 TIMING: 4948400 CPU: 14683.7, 0.00303124/step Wall: 14683.7, 0.00303124/step, 0.0434478 hours remaining, 208.804688 MB of memory in use. ENERGY: 4948400 683.1348 2079.1831 1957.4441 105.0945 -205746.1321 17608.0848 0.0000 0.0000 34276.0271 -149037.1637 299.3411 -183313.1908 -148942.0527 299.9057 -100.8324 -69.7189 558746.0675 15.1033 15.2893 PRESSURE: 4948600 -267.801 -7.81963 27.5954 -7.8202 74.9703 -24.0078 27.596 -24.0101 124.521 GPRESSURE: 4948600 -227.806 -14.3327 57.1829 19.8403 107.522 -3.08584 4.00277 2.06611 155.639 PRESSAVG: 4948600 -85.0367 -45.6112 10.2819 -45.6112 69.9946 11.7784 10.2819 11.7784 38.3218 GPRESSAVG: 4948600 -83.8882 -45.6485 9.06327 -47.0255 68.943 13.2287 10.5998 11.7677 38.1382 TIMING: 4948600 CPU: 14684.3, 0.00295868/step Wall: 14684.3, 0.00295868/step, 0.0422434 hours remaining, 209.003906 MB of memory in use. ENERGY: 4948600 746.6331 2133.9986 1937.8857 109.8680 -205973.4692 17834.7816 0.0000 0.0000 33854.0465 -149356.2557 295.6558 -183210.3022 -149263.4038 299.2579 -22.7698 11.7849 559097.9094 7.7599 7.7310 PRESSURE: 4948800 -157.505 -163.917 6.60292 -163.919 -117.268 130.477 6.60089 130.477 -31.0836 GPRESSURE: 4948800 -149.108 -85.2654 2.36617 -79.6536 -68.1338 76.6327 40.9582 153.066 -6.76301 PRESSAVG: 4948800 -11.2812 11.7685 17.1084 11.7685 76.6247 61.8228 17.1083 61.8228 -53.2359 GPRESSAVG: 4948800 -11.448 11.5059 18.8233 12.9156 76.3548 62.8744 16.867 60.4522 -53.3393 TIMING: 4948800 CPU: 14684.9, 0.00295242/step Wall: 14684.9, 0.00295242/step, 0.04199 hours remaining, 209.003906 MB of memory in use. ENERGY: 4948800 754.4208 2068.7757 1903.5091 108.6072 -206811.7199 18016.1983 0.0000 0.0000 34452.4058 -149507.8031 300.8814 -183960.2089 -149410.0171 299.4030 -101.9521 -74.6681 557861.5625 4.0359 3.8558 PRESSURE: 4949000 5.03007 106.179 161.961 106.18 -82.0372 40.819 161.961 40.8189 -76.9642 GPRESSURE: 4949000 30.6224 96.3803 152.776 66.5396 -28.2244 1.2024 134.573 46.2902 -65.3548 PRESSAVG: 4949000 -2.35063 41.5287 50.3703 41.5288 43.2878 34.8536 50.3704 34.8537 -19.9367 GPRESSAVG: 4949000 -2.10204 41.6746 49.691 41.1063 43.5684 33.5984 52.3587 35.0386 -20.338 TIMING: 4949000 CPU: 14685.5, 0.00293342/step Wall: 14685.5, 0.00293342/step, 0.0415568 hours remaining, 209.003906 MB of memory in use. ENERGY: 4949000 743.6307 2077.2474 1936.1072 109.8364 -206556.6385 17978.8876 0.0000 0.0000 34265.9803 -149444.9488 299.2533 -183710.9291 -149349.6800 299.0633 -51.3238 -20.9856 559364.4237 7.0002 7.0428 PRESSURE: 4949200 -17.9093 29.4815 -71.3548 29.4815 36.3131 73.28 -71.3559 73.2779 -117.454 GPRESSURE: 4949200 -58.0064 75.9037 20.4828 38.2579 72.732 -2.43859 -91.9148 58.8711 -22.2109 PRESSAVG: 4949200 -92.2459 23.8807 37.5513 23.8808 68.2115 1.74473 37.5515 1.7447 -17.7952 GPRESSAVG: 4949200 -91.7774 23.3222 39.4938 24.0704 68.2368 1.72839 37.3417 3.37334 -17.8828 TIMING: 4949200 CPU: 14686.1, 0.00292295/step Wall: 14686.1, 0.00292295/step, 0.0412461 hours remaining, 209.003906 MB of memory in use. ENERGY: 4949200 739.2264 2156.9033 1962.8927 124.5945 -206579.4057 18035.7591 0.0000 0.0000 33916.6729 -149643.3567 296.2027 -183560.0296 -149540.3890 297.8690 -33.0168 -2.4951 558000.3511 -13.9432 -13.8078 PRESSURE: 4949400 412.643 12.0306 -123.595 12.0305 376.58 -54.8154 -123.597 -54.8159 68.5226 GPRESSURE: 4949400 491.093 -18.1173 -116.739 50.9859 310.407 -88.6877 -88.6793 -98.0642 160.14 PRESSAVG: 4949400 8.24999 27.918 -6.07714 27.9181 23.2163 12.3384 -6.07715 12.3384 -41.409 GPRESSAVG: 4949400 8.97742 30.7314 -7.86048 28.5072 22.5381 12.3191 -5.7961 11.3476 -40.9695 TIMING: 4949400 CPU: 14686.7, 0.00290367/step Wall: 14686.7, 0.00290367/step, 0.0408128 hours remaining, 209.003906 MB of memory in use. ENERGY: 4949400 710.3220 2098.3556 1949.5798 127.6064 -206505.3637 18174.6752 0.0000 0.0000 33942.8919 -149501.9329 296.4317 -183444.8247 -149414.5129 298.6117 285.9152 320.5467 556069.4040 -3.3142 -3.1513 PRESSURE: 4949600 -85.9789 122.935 212.103 122.934 -210.044 103.331 212.104 103.331 167.713 GPRESSURE: 4949600 -59.8787 93.2493 177.646 84.5574 -218.138 80.4603 167.012 56.096 253.133 PRESSAVG: 4949600 27.4817 -39.0451 -11.9616 -39.0452 7.93791 -37.7505 -11.9616 -37.7505 -6.70078 GPRESSAVG: 4949600 25.8271 -41.5401 -12.8187 -38.5612 8.8804 -38.4643 -11.0543 -36.7018 -6.39003 TIMING: 4949600 CPU: 14687.2, 0.00291973/step Wall: 14687.2, 0.00291973/step, 0.0408762 hours remaining, 209.195312 MB of memory in use. ENERGY: 4949600 760.2780 2102.9638 1953.6315 102.3621 -206315.5364 17865.3963 0.0000 0.0000 34384.6836 -149146.2211 300.2900 -183530.9046 -149044.8345 298.8975 -42.7699 -8.2945 557328.9867 9.5729 9.4391 PRESSURE: 4949800 -301.901 -0.52413 -125.584 -0.524205 -223.243 -31.1173 -125.584 -31.1173 -19.6766 GPRESSURE: 4949800 -283.927 19.393 -116.225 -3.29119 -187.888 16.193 -171.223 -85.4562 14.6201 PRESSAVG: 4949800 6.43302 20.1436 -5.8754 20.1436 -45.8662 -14.4866 -5.87531 -14.4867 28.2288 GPRESSAVG: 4949800 7.31741 19.9254 -5.38313 20.1251 -45.6897 -13.7913 -7.36388 -16.2746 27.6081 TIMING: 4949800 CPU: 14687.8, 0.00292704/step Wall: 14687.8, 0.00292704/step, 0.0408159 hours remaining, 209.195312 MB of memory in use. ENERGY: 4949800 775.8208 2020.6529 1956.1744 108.0288 -205608.2725 17437.8281 0.0000 0.0000 34046.1385 -149263.6290 297.3334 -183309.7675 -149158.6623 299.2301 -181.6067 -152.3985 559244.7667 -3.7348 -3.5880 PRESSURE: 4950000 77.2901 -153.272 123.492 -153.27 41.3796 18.6447 123.491 18.6442 -50.9984 GPRESSURE: 4950000 106.267 -175.121 115.276 -60.7074 97.3536 19.7535 8.06456 -2.52164 -36.9334 PRESSAVG: 4950000 22.851 -2.38993 6.24754 -2.38988 -46.1038 68.4535 6.24754 68.4535 -3.44515 GPRESSAVG: 4950000 22.8037 -0.390762 3.74864 -3.89468 -44.813 67.7995 6.45957 69.5433 -4.74336 TIMING: 4950000 CPU: 14688.4, 0.00292994/step Wall: 14688.4, 0.00292994/step, 0.0406936 hours remaining, 209.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4950000 763.8315 2043.7430 1931.6509 113.7245 -205780.8916 17713.0183 0.0000 0.0000 34207.9276 -149006.9957 298.7463 -183214.9233 -148906.0729 298.4607 22.5571 55.5624 558522.8585 -8.8993 -8.9176 PRESSURE: 4950200 -0.589466 30.1446 -213.872 30.1453 -77.3002 -45.5541 -213.873 -45.5543 -3.15338 GPRESSURE: 4950200 102.248 -3.856 -251.138 73.67 -97.1272 -98.3896 -63.7674 -74.4279 9.18682 PRESSAVG: 4950200 -70.1111 -38.5196 30.1224 -38.5196 45.5667 28.0049 30.1225 28.0049 1.4576 GPRESSAVG: 4950200 -69.4648 -39.9013 31.4278 -36.0577 43.7908 27.6051 30.1922 29.4682 2.84862 TIMING: 4950200 CPU: 14689, 0.00292998/step Wall: 14689, 0.00292998/step, 0.0405314 hours remaining, 209.195312 MB of memory in use. ENERGY: 4950200 745.9259 2044.4032 1921.4164 118.9198 -205712.7134 17747.9594 0.0000 0.0000 34280.0754 -148854.0132 299.3764 -183134.0887 -148761.9167 299.8677 -27.0144 4.7693 560292.5116 -7.6956 -7.6085 PRESSURE: 4950400 -2.76796 1.01413 -158.418 1.01353 -280.047 -80.9615 -158.418 -80.9621 -222.921 GPRESSURE: 4950400 76.6346 -81.2368 -284.846 110.701 -249.686 -45.5142 -119.711 -111.628 -246.946 PRESSAVG: 4950400 28.3573 16.1331 -20.0205 16.1331 -29.3538 -9.1191 -20.0206 -9.11902 27.5016 GPRESSAVG: 4950400 29.1361 17.294 -18.8491 12.0295 -28.6849 -8.35044 -21.1919 -12.0138 26.0376 TIMING: 4950400 CPU: 14689.6, 0.00293312/step Wall: 14689.6, 0.00293312/step, 0.0404118 hours remaining, 209.195312 MB of memory in use. ENERGY: 4950400 753.0912 2158.6111 1924.3785 124.8256 -205743.1269 17586.8553 0.0000 0.0000 34214.2385 -148981.1266 298.8015 -183195.3651 -148890.0984 299.4621 -168.5787 -139.9992 559276.0095 8.8350 8.8296 PRESSURE: 4950600 -22.7471 -57.521 18.9662 -57.5199 -216.656 99.8974 18.966 99.8977 -250.054 GPRESSURE: 4950600 -7.02141 -42.0455 60.8264 -121.073 -199.239 29.1482 -43.6343 170.774 -193.835 PRESSAVG: 4950600 21.8187 30.795 -6.63819 30.7949 62.9519 -31.8197 -6.63817 -31.8197 -56.3119 GPRESSAVG: 4950600 21.8596 29.9922 -6.53939 32.4469 61.7887 -30.2563 -5.2209 -32.4384 -55.2526 TIMING: 4950600 CPU: 14690.2, 0.00292998/step Wall: 14690.2, 0.00292998/step, 0.0402059 hours remaining, 209.195312 MB of memory in use. ENERGY: 4950600 741.4203 2141.4517 1936.1625 109.3410 -205828.9317 17587.8495 0.0000 0.0000 34441.4790 -148871.2276 300.7860 -183312.7066 -148769.1418 300.1561 -163.1523 -133.3652 558399.9210 9.4863 9.4652 PRESSURE: 4950800 180.574 178.325 45.741 178.325 77.1946 -9.49685 45.7415 -9.49757 -74.0068 GPRESSURE: 4950800 190.56 158.537 47.1418 116.623 122.397 5.48564 13.1815 12.4677 -31.4119 PRESSAVG: 4950800 -15.5705 -10.6135 11.968 -10.6136 2.59398 -44.0665 11.968 -44.0665 -8.84585 GPRESSAVG: 4950800 -16.1978 -11.015 11.5496 -10.7781 3.76997 -44.7527 10.4702 -43.4923 -8.90871 TIMING: 4950800 CPU: 14690.8, 0.00296671/step Wall: 14690.8, 0.00296671/step, 0.040545 hours remaining, 209.195312 MB of memory in use. ENERGY: 4950800 748.6779 2102.4271 1926.8227 133.4944 -206079.6678 17833.8542 0.0000 0.0000 34513.2651 -148821.1264 301.4129 -183334.3915 -148728.4816 300.8444 61.2540 93.8481 557778.6353 -7.2741 -7.1122 PRESSURE: 4951000 172.174 87.7379 106.438 87.7394 -146.259 34.7685 106.439 34.7661 -294.602 GPRESSURE: 4951000 125.644 33.7015 25.0926 85.4538 -43.7561 55.1671 106.626 -11.4834 -255.966 PRESSAVG: 4951000 -84.2146 -10.9929 -11.8616 -10.9929 44.662 -16.5435 -11.8615 -16.5437 12.0415 GPRESSAVG: 4951000 -84.4322 -12.6732 -11.0205 -10.4978 44.3176 -19.2825 -12.0378 -13.9994 12.1508 TIMING: 4951000 CPU: 14691.4, 0.00294836/step Wall: 14691.4, 0.00294836/step, 0.0401305 hours remaining, 209.195312 MB of memory in use. ENERGY: 4951000 749.7619 2148.2226 1952.6638 116.1795 -206075.2760 17621.9361 0.0000 0.0000 34493.0617 -148993.4505 301.2365 -183486.5121 -148901.4797 300.2057 -89.5624 -58.0261 556919.8176 -9.1703 -9.3213 PRESSURE: 4951200 -113.862 -5.87253 74.6678 -5.87126 410.327 72.0391 74.6683 72.0386 24.368 GPRESSURE: 4951200 -54.7525 18.4101 55.0448 -30.2558 454.374 20.7703 90.0299 15.9795 27.7853 PRESSAVG: 4951200 -24.3049 3.83115 31.6685 3.83107 84.206 -38.4725 31.6684 -38.4724 -45.5397 GPRESSAVG: 4951200 -24.3422 4.88326 31.0414 2.45216 84.8547 -37.6764 34.2691 -37.3775 -46.0442 TIMING: 4951200 CPU: 14691.9, 0.00293117/step Wall: 14691.9, 0.00293117/step, 0.0397336 hours remaining, 209.195312 MB of memory in use. ENERGY: 4951200 721.7235 2084.0825 1946.2947 124.2355 -206465.0089 18035.1055 0.0000 0.0000 34401.5947 -149151.9724 300.4377 -183553.5671 -149056.4620 300.4314 106.9442 142.4690 556457.9391 4.7871 4.8228 PRESSURE: 4951400 79.2039 -7.84476 134.991 -7.84399 -1.9098 -70.1891 134.99 -70.1891 296.27 GPRESSURE: 4951400 105.045 107.054 124.002 -8.44867 74.9159 -136.626 109.864 -71.5411 300.238 PRESSAVG: 4951400 -34.914 -4.46107 48.4167 -4.46109 19.9111 3.86051 48.4168 3.86061 -5.65588 GPRESSAVG: 4951400 -35.4339 -3.971 47.1398 -2.25105 20.2506 3.68112 47.9109 1.46282 -5.37741 TIMING: 4951400 CPU: 14692.5, 0.00295699/step Wall: 14692.5, 0.00295699/step, 0.0399194 hours remaining, 209.195312 MB of memory in use. ENERGY: 4951400 769.2169 2144.0634 1922.5248 108.4228 -206517.9379 18049.0264 0.0000 0.0000 34377.3782 -149147.3054 300.2262 -183524.6835 -149051.0754 300.2464 124.5215 160.0661 556928.1611 -6.8863 -6.8536 PRESSURE: 4951600 76.6769 -28.0032 -51.1063 -28.0029 -11.4361 8.87388 -51.1052 8.8738 69.997 GPRESSURE: 4951600 55.6932 -45.791 28.1373 57.048 22.3311 25.6313 -156.213 -51.3433 139.703 PRESSAVG: 4951600 -90.9355 42.544 8.8314 42.5441 43.8157 -2.77971 8.83134 -2.77965 61.86 GPRESSAVG: 4951600 -90.8709 40.2502 11.7518 43.5885 43.9039 -3.39145 5.69218 -3.35786 61.6386 TIMING: 4951600 CPU: 14693.1, 0.0029462/step Wall: 14693.1, 0.0029462/step, 0.03961 hours remaining, 209.195312 MB of memory in use. ENERGY: 4951600 746.2339 2102.7962 1919.4346 106.6163 -206226.5897 17902.5082 0.0000 0.0000 34314.4317 -149134.5686 299.6765 -183449.0003 -149032.8745 300.4410 45.0793 72.5758 557243.1850 4.9134 4.8905 PRESSURE: 4951800 -127.113 -23.1824 3.38787 -23.1839 120.692 96.5693 3.38726 96.5701 -157.236 GPRESSURE: 4951800 -34.1247 24.6361 5.09607 -41.6048 117.066 228.684 16.0415 47.1769 -137.12 PRESSAVG: 4951800 -49.4122 -10.2881 -25.952 -10.2881 11.5613 33.3302 -25.952 33.3303 19.5873 GPRESSAVG: 4951800 -48.8907 -8.35379 -28.2376 -11.7063 10.7576 33.9709 -25.8314 35.1476 19.0753 TIMING: 4951800 CPU: 14693.7, 0.00291601/step Wall: 14693.7, 0.00291601/step, 0.0390422 hours remaining, 209.195312 MB of memory in use. ENERGY: 4951800 775.6088 2131.7500 1928.6992 124.1111 -206273.2702 17784.9708 0.0000 0.0000 34232.8804 -149295.2499 298.9643 -183528.1303 -149199.5792 299.2482 -54.5525 -18.0596 557033.5255 -6.0879 -6.3526 PRESSURE: 4952000 -20.7597 56.7861 17.2259 56.7863 -114.553 293.291 17.2248 293.29 28.4126 GPRESSURE: 4952000 24.0735 -14.6786 58.8351 30.4654 -97.0422 336.07 29.6612 224.798 71.0462 PRESSAVG: 4952000 -77.3639 -9.81545 29.1684 -9.81537 -32.3566 -9.96892 29.1685 -9.96891 82.1527 GPRESSAVG: 4952000 -77.2521 -10.8655 28.3796 -10.7226 -32.9682 -9.96292 33.6583 -10.5547 83.1631 TIMING: 4952000 CPU: 14694.3, 0.00295764/step Wall: 14694.3, 0.00295764/step, 0.0394352 hours remaining, 209.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4952000 735.7265 2077.1974 1950.7410 107.9503 -206146.3433 17938.1947 0.0000 0.0000 34098.9571 -149237.5762 297.7947 -183336.5334 -149140.9709 299.6826 -35.6334 -0.6408 559598.9659 -9.1892 -9.0191 PRESSURE: 4952200 -268.404 -45.2808 19.2308 -45.2806 -134.063 1.99834 19.2311 1.99738 57.318 GPRESSURE: 4952200 -201.742 -25.8954 30.9264 4.69621 -101.688 67.6789 38.6458 41.4271 76.3002 PRESSAVG: 4952200 -48.4492 0.488728 1.60566 0.488816 17.3598 43.1604 1.60564 43.1604 47.5699 GPRESSAVG: 4952200 -49.1071 1.80238 2.20564 0.68947 19.4534 43.7031 -1.71419 43.8783 45.8665 TIMING: 4952200 CPU: 14694.9, 0.00297477/step Wall: 14694.9, 0.00297477/step, 0.0394984 hours remaining, 209.195312 MB of memory in use. ENERGY: 4952200 741.2926 2093.2710 1947.2326 106.8847 -205810.1659 17603.3902 0.0000 0.0000 34173.2969 -149144.7979 298.4439 -183318.0948 -149048.3699 298.8910 -115.0497 -75.7100 559838.2662 5.4935 5.4043 LDB: ============= START OF LOAD BALANCING ============== 14698.4 LDB: ============== END OF LOAD BALANCING =============== 14698.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14698.4 LDB: ============= START OF LOAD BALANCING ============== 14698.7 LDB: Largest compute 4801 load 0.024415 is 20.6% of average load 0.118290 LDB: Average compute 0.001724 is 1.5% of average load 0.118290 LDB: TIME 14698.7 LOAD: AVG 0.11829 MAX 0.197656 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.32 MB LDB: TIME 14698.7 LOAD: AVG 0.11829 MAX 0.197656 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.52 MB LDB: TIME 14698.7 LOAD: AVG 0.11829 MAX 0.197656 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14698.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14698.7 PRESSURE: 4952400 -118.396 178.818 59.9906 178.819 -8.43269 69.752 59.9914 69.7514 -134.217 GPRESSURE: 4952400 -115.823 179.107 66.4653 205.735 61.3867 -22.8907 50.4942 100.45 -122.289 PRESSAVG: 4952400 -78.6386 34.3886 -0.973876 34.3885 -7.56334 -10.1475 -0.973873 -10.1475 43.8071 GPRESSAVG: 4952400 -77.9776 34.274 0.141192 36.5177 -8.90578 -10.4085 1.1343 -11.8264 44.9613 TIMING: 4952400 CPU: 14695.5, 0.00300583/step Wall: 14695.5, 0.00300583/step, 0.0397438 hours remaining, 208.550781 MB of memory in use. ENERGY: 4952400 741.5907 2086.2245 1926.4113 110.0062 -205716.1391 17533.5482 0.0000 0.0000 34187.1417 -149131.2165 298.5648 -183318.3582 -149030.4964 299.5939 -87.0150 -58.9086 558221.2222 -14.1316 -13.9740 PRESSURE: 4952600 152.053 4.30805 -18.6413 4.30928 -202.463 -21.9122 -18.6411 -21.9133 16.9774 GPRESSURE: 4952600 167.213 -72.9822 -45.1883 22.6467 -97.7383 -64.6729 56.0232 62.6822 -4.66717 PRESSAVG: 4952600 -84.5142 26.0427 21.0712 26.0426 27.4299 30.1001 21.0712 30.1001 34.6742 GPRESSAVG: 4952600 -83.9407 25.9168 19.599 25.0461 27.9786 29.4095 21.1909 32.1738 33.2606 TIMING: 4952600 CPU: 14696.1, 0.00293934/step Wall: 14696.1, 0.00293934/step, 0.0387013 hours remaining, 208.750000 MB of memory in use. ENERGY: 4952600 720.4795 2088.2126 1950.7578 115.7496 -206407.7153 17939.5986 0.0000 0.0000 34256.3259 -149336.5913 299.1690 -183592.9172 -149237.8767 298.5416 -11.1442 21.6024 558197.3111 -7.4700 -7.5672 PRESSURE: 4952800 205.385 -78.619 185.906 -78.6191 32.1287 35.9742 185.906 35.9752 -213.409 GPRESSURE: 4952800 202.482 -96.8861 227.503 -63.736 68.0545 87.5758 161.149 45.7509 -152.048 PRESSAVG: 4952800 -0.284836 28.0774 0.839068 28.0773 17.3765 68.543 0.839014 68.543 -26.7339 GPRESSAVG: 4952800 -2.39963 26.8767 1.84855 28.5513 17.3764 68.0594 1.0987 69.4877 -24.3936 TIMING: 4952800 CPU: 14696.7, 0.00295238/step Wall: 14696.7, 0.00295238/step, 0.038709 hours remaining, 208.750000 MB of memory in use. ENERGY: 4952800 693.0847 2117.8709 1942.4562 110.2652 -206357.5364 17931.4355 0.0000 0.0000 34181.4974 -149380.9265 298.5155 -183562.4239 -149280.5623 298.1717 8.0347 39.4962 557780.7782 -3.2141 -3.1390 PRESSURE: 4953000 68.8456 5.91046 99.0799 5.91069 -33.3397 -45.2313 99.0815 -45.2319 229.365 GPRESSURE: 4953000 135.492 -4.66334 37.3008 -5.68747 29.7873 -125.422 126.699 -35.4665 196.776 PRESSAVG: 4953000 65.9235 16.8145 50.5879 16.8146 -40.9158 -2.22699 50.5881 -2.22696 -22.8308 GPRESSAVG: 4953000 67.9196 16.7886 50.1132 15.9866 -42.5281 -3.14859 50.6336 -2.6262 -23.5809 TIMING: 4953000 CPU: 14697.3, 0.00296234/step Wall: 14697.3, 0.00296234/step, 0.038675 hours remaining, 208.750000 MB of memory in use. ENERGY: 4953000 749.7634 2041.2338 1950.1271 101.9709 -206543.6065 18059.7528 0.0000 0.0000 34307.8160 -149332.9424 299.6187 -183640.7584 -149237.5302 298.9767 88.2904 120.6850 556113.7840 0.7256 0.6035 PRESSURE: 4953200 -235.322 29.0739 -41.1574 29.0738 58.556 34.1609 -41.1568 34.1599 201.648 GPRESSURE: 4953200 -145.125 -5.33905 40.1442 19.7429 50.3309 84.2317 -30.778 -7.2779 199.186 PRESSAVG: 4953200 19.8679 18.4437 -45.2859 18.4437 -23.2358 -2.82162 -45.286 -2.82164 48.6777 GPRESSAVG: 4953200 19.5394 19.4321 -44.7273 18.6521 -21.9941 -0.844728 -45.4644 -4.29046 48.2162 TIMING: 4953200 CPU: 14697.8, 0.00294093/step Wall: 14697.8, 0.00294093/step, 0.0382321 hours remaining, 208.750000 MB of memory in use. ENERGY: 4953200 741.1192 2064.4802 1900.2247 113.5866 -206241.7731 17731.5802 0.0000 0.0000 34257.6168 -149433.1655 299.1803 -183690.7823 -149339.0049 298.4023 8.2939 34.7973 557160.5194 15.1033 15.2538 PRESSURE: 4953400 -5.36843 -40.7659 44.1238 -40.7658 -24.8433 -144.226 44.1232 -144.228 -170.227 GPRESSURE: 4953400 35.4097 -103.298 -30.1623 1.5198 -61.8663 -113.06 47.7784 -64.0253 -82.7447 PRESSAVG: 4953400 68.8736 14.5441 -3.70617 14.5441 3.16121 16.6672 -3.70616 16.6672 -13.7722 GPRESSAVG: 4953400 69.0122 15.0471 -3.44353 14.1606 2.94662 16.2588 -3.06155 16.8732 -13.571 TIMING: 4953400 CPU: 14698.4, 0.0029461/step Wall: 14698.4, 0.0029461/step, 0.0381357 hours remaining, 208.750000 MB of memory in use. ENERGY: 4953400 775.4946 2072.7864 1939.5182 124.8852 -206254.0783 17760.9817 0.0000 0.0000 34175.6939 -149404.7182 298.4648 -183580.4121 -149305.4035 298.4302 -66.8129 -36.4004 558618.2037 19.4209 19.4626 PRESSURE: 4953600 -467.849 208.803 -29.3723 208.803 -169.846 25.1417 -29.3725 25.1419 -131.874 GPRESSURE: 4953600 -500.214 240.661 17.9023 186.011 -128.877 14.4695 -118.717 8.54901 -44.4073 PRESSAVG: 4953600 -29.8979 8.1569 -2.64824 8.15689 17.4053 -35.4046 -2.64835 -35.4046 -17.1844 GPRESSAVG: 4953600 -29.8472 7.98008 -2.03794 8.37485 17.1384 -35.36 -3.23341 -34.0568 -16.721 TIMING: 4953600 CPU: 14699, 0.00296074/step Wall: 14699, 0.00296074/step, 0.0381607 hours remaining, 208.750000 MB of memory in use. ENERGY: 4953600 763.3745 2054.2132 1934.4827 112.5124 -205856.6328 17620.0922 0.0000 0.0000 34186.3474 -149185.6104 298.5579 -183371.9578 -149089.0513 299.3310 -256.5231 -224.4996 559543.9133 -9.8923 -9.8099 PRESSURE: 4953800 -214.365 -21.4903 -19.732 -21.4899 -165.531 -79.4307 -19.7309 -79.4315 -7.83941 GPRESSURE: 4953800 -165.881 -20.3417 -4.84774 -112.289 -129.773 -76.6799 -110.256 -127.543 3.65618 PRESSAVG: 4953800 -21.5621 -3.98447 8.12333 -3.98452 10.7322 -45.9241 8.12341 -45.9241 -15.8793 GPRESSAVG: 4953800 -21.9091 -3.71583 7.19903 -4.21113 10.9668 -46.1285 8.4766 -47.6267 -15.4718 TIMING: 4953800 CPU: 14699.6, 0.00297304/step Wall: 14699.6, 0.00297304/step, 0.038154 hours remaining, 208.750000 MB of memory in use. ENERGY: 4953800 733.7217 2022.3653 1930.1287 123.7607 -206030.7347 17606.8593 0.0000 0.0000 34364.7478 -149249.1513 300.1159 -183613.8991 -149155.2046 299.0483 -129.2452 -97.3326 557288.6943 -8.9031 -8.8047 PRESSURE: 4954000 5.57947 -83.7237 132.915 -83.7253 324.6 -145.122 132.915 -145.121 151.436 GPRESSURE: 4954000 34.3293 -73.1474 139.985 -24.53 401.215 -96.9003 117.085 -156.194 140.239 PRESSAVG: 4954000 58.711 -26.4262 -0.773305 -26.4263 -2.8058 -42.7771 -0.773303 -42.777 -19.8467 GPRESSAVG: 4954000 58.5933 -26.9404 -1.68303 -25.7243 -3.26179 -41.3929 -0.171767 -40.9154 -19.6219 TIMING: 4954000 CPU: 14700.2, 0.00292328/step Wall: 14700.2, 0.00292328/step, 0.037353 hours remaining, 208.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4954000 698.0642 2126.7366 1915.8534 121.9515 -206116.3563 17864.5502 0.0000 0.0000 34227.8456 -149161.3549 298.9203 -183389.2004 -149067.5488 299.1101 160.5383 191.9279 557731.1797 12.0195 11.9032 PRESSURE: 4954200 -213.556 3.73991 64.2055 3.74015 -22.9189 0.245769 64.2046 0.245584 -101.37 GPRESSURE: 4954200 -180.184 3.4604 87.777 -44.2442 -8.35004 -25.7589 34.5619 38.8922 -48.5084 PRESSAVG: 4954200 -71.8732 -9.06882 6.73471 -9.06882 50.8055 -20.3325 6.73475 -20.3324 21.7712 GPRESSAVG: 4954200 -72.0635 -7.36671 6.21028 -11.506 52.3726 -20.7553 7.69393 -22.7876 20.7666 TIMING: 4954200 CPU: 14700.8, 0.0029355/step Wall: 14700.8, 0.0029355/step, 0.0373461 hours remaining, 208.750000 MB of memory in use. ENERGY: 4954200 761.6043 2058.7376 1924.2232 116.6232 -206162.1819 17940.7635 0.0000 0.0000 34444.0511 -148916.1790 300.8085 -183360.2300 -148817.1452 299.5965 -112.6149 -79.0143 558184.9171 0.2345 0.3586 PRESSURE: 4954400 -73.0423 -52.365 -127.784 -52.3649 104.358 -112.766 -127.785 -112.766 19.9531 GPRESSURE: 4954400 -75.9452 -74.299 -82.6259 10.729 132.673 -144.209 -146.572 -115.343 90.1693 PRESSAVG: 4954400 -33.6854 -45.7334 52.8332 -45.7333 -23.9102 -8.05161 52.8332 -8.05163 64.3068 GPRESSAVG: 4954400 -32.5539 -46.5294 55.597 -44.0075 -24.9124 -6.82963 49.2068 -7.68369 64.295 TIMING: 4954400 CPU: 14701.4, 0.00294162/step Wall: 14701.4, 0.00294162/step, 0.0372605 hours remaining, 208.750000 MB of memory in use. ENERGY: 4954400 738.0954 2106.2903 1943.7732 102.5397 -206075.5998 17964.6850 0.0000 0.0000 34298.9551 -148921.2610 299.5413 -183220.2161 -148830.2331 300.3242 17.0895 48.9657 558699.9322 2.2371 2.2762 PRESSURE: 4954600 177.203 -38.9763 -91.4225 -38.975 407.901 26.807 -91.422 26.8078 122.667 GPRESSURE: 4954600 171.975 -41.129 -72.3339 -19.9646 456.972 75.3139 -81.5283 21.3783 166.357 PRESSAVG: 4954600 -102.758 -9.67034 44.6886 -9.67042 42.3998 34.69 44.6886 34.6901 40.8789 GPRESSAVG: 4954600 -103.568 -11.012 42.5121 -9.57722 42.2086 34.0677 46.9584 35.8074 41.4451 TIMING: 4954600 CPU: 14702, 0.00291819/step Wall: 14702, 0.00291819/step, 0.0368016 hours remaining, 208.750000 MB of memory in use. ENERGY: 4954600 708.9579 2108.1713 1953.6244 116.3115 -205844.4382 17924.6927 0.0000 0.0000 34103.5754 -148929.1049 297.8350 -183032.6803 -148826.6729 299.3895 235.9235 265.1012 557581.2920 -6.4931 -6.6382 PRESSURE: 4954800 -38.4126 -60.9514 57.666 -60.9511 -33.3132 -32.2818 57.6663 -32.2803 -180.543 GPRESSURE: 4954800 -15.0299 -58.6358 51.2473 -85.586 -22.6995 60.9821 54.9403 -41.535 -132.701 PRESSAVG: 4954800 -67.4344 -37.3368 -32.3023 -37.3367 19.5536 60.8456 -32.3022 60.8455 40.1259 GPRESSAVG: 4954800 -68.0722 -37.0089 -31.2957 -37.0421 20.6212 60.4487 -32.3418 59.8356 40.0735 TIMING: 4954800 CPU: 14702.6, 0.00293446/step Wall: 14702.6, 0.00293446/step, 0.0368438 hours remaining, 208.750000 MB of memory in use. ENERGY: 4954800 718.4120 2049.5097 1950.8730 105.4479 -205694.8077 17495.3202 0.0000 0.0000 34430.1598 -148945.0850 300.6871 -183375.2449 -148843.4390 298.5972 -84.0895 -56.8102 557230.1237 -2.5850 -2.4592 PRESSURE: 4955000 20.2168 -263.151 -166.58 -263.151 187.509 8.04233 -166.58 8.04315 -45.8343 GPRESSURE: 4955000 31.7445 -209.524 -165.924 -249.23 214.072 65.9644 -160.892 -7.51891 10.6198 PRESSAVG: 4955000 -28.5886 17.6163 -13.1124 17.6164 -41.2431 41.9769 -13.1123 41.9769 27.1484 GPRESSAVG: 4955000 -26.7711 18.2428 -12.4465 17.2846 -42.3505 43.1827 -14.4834 41.7496 26.4332 TIMING: 4955000 CPU: 14703.1, 0.00292362/step Wall: 14703.1, 0.00292362/step, 0.0365453 hours remaining, 208.750000 MB of memory in use. ENERGY: 4955000 726.8063 2068.4516 1918.2644 114.4370 -205945.0600 17702.8487 0.0000 0.0000 34271.1684 -149143.0836 299.2986 -183414.2520 -149038.6203 299.4549 53.9637 85.4787 556997.7190 -14.2277 -14.2295 PRESSURE: 4955200 87.9547 -141.451 -3.31165 -141.451 58.6587 18.713 -3.31208 18.7119 28.7015 GPRESSURE: 4955200 160.727 -126.538 -104.189 -137.32 113.806 19.7151 69.8181 74.3536 18.0535 PRESSAVG: 4955200 34.0106 -14.9757 14.9235 -14.9756 -0.251273 7.89283 14.9234 7.89285 -59.2626 GPRESSAVG: 4955200 33.244 -14.6403 15.8364 -14.2758 0.14725 8.73548 16.625 6.5343 -58.4203 TIMING: 4955200 CPU: 14703.7, 0.00290452/step Wall: 14703.7, 0.00290452/step, 0.0361451 hours remaining, 208.750000 MB of memory in use. ENERGY: 4955200 754.0437 2104.3558 1924.4028 129.8158 -206185.9256 17782.2738 0.0000 0.0000 34209.0888 -149281.9448 298.7565 -183491.0337 -149191.0098 298.4943 58.4383 97.5287 555974.8826 -8.5011 -8.3430 PRESSURE: 4955400 -43.4706 -111.309 90.3522 -111.31 -82.9897 -200.081 90.3526 -200.082 12.7791 GPRESSURE: 4955400 -14.7448 -112.825 70.5793 -130.862 -26.8155 -211.406 80.2743 -231.159 26.6246 PRESSAVG: 4955400 -8.09231 -0.739931 5.64083 -0.739982 -10.4579 -12.9278 5.64082 -12.9278 63.0432 GPRESSAVG: 4955400 -8.33207 -0.308171 4.30842 -0.571187 -10.0524 -14.378 3.54465 -10.3583 62.8246 TIMING: 4955400 CPU: 14704.3, 0.00291938/step Wall: 14704.3, 0.00291938/step, 0.0361679 hours remaining, 208.750000 MB of memory in use. ENERGY: 4955400 734.3101 2071.0950 1907.9896 114.8790 -205917.8817 17557.8745 0.0000 0.0000 33978.5343 -149553.1992 296.7430 -183531.7335 -149461.4626 298.6790 -37.8937 -4.9786 555296.8773 14.8310 14.8134 PRESSURE: 4955600 47.8731 -207.824 -11.3906 -207.823 74.0126 159.67 -11.3904 159.667 -116.001 GPRESSURE: 4955600 71.7872 -211.498 -7.97265 -274.435 110.377 184.965 -24.5809 62.7139 -82.9349 PRESSAVG: 4955600 -38.0557 -22.0053 -0.0909179 -22.0053 25.7702 35.2238 -0.0909302 35.2239 13.6421 GPRESSAVG: 4955600 -36.5718 -23.1352 0.779533 -24.069 25.1378 35.0382 -1.07917 33.3424 13.3638 TIMING: 4955600 CPU: 14704.9, 0.00293563/step Wall: 14704.9, 0.00293564/step, 0.0362062 hours remaining, 208.750000 MB of memory in use. ENERGY: 4955600 776.5928 2062.0124 1921.3856 122.9001 -206281.1498 17811.2721 0.0000 0.0000 34120.3583 -149466.6286 297.9816 -183586.9869 -149370.8976 297.8480 1.9615 33.0765 556554.5041 0.4522 0.6432 PRESSURE: 4955800 -54.7219 -137.602 19.3557 -137.603 -70.6849 -113.757 19.3553 -113.757 -13.9017 GPRESSURE: 4955800 -40.4014 -103.529 -34.561 -168.257 -7.11914 -95.423 134.45 -129.908 3.89048 PRESSAVG: 4955800 -56.432 8.46069 32.6366 8.46071 -0.437405 5.42043 32.6367 5.42037 38.6243 GPRESSAVG: 4955800 -56.9132 8.74476 31.6666 10.3493 0.700169 6.00376 34.6644 6.16813 38.1659 TIMING: 4955800 CPU: 14705.5, 0.00293972/step Wall: 14705.5, 0.00293972/step, 0.0360932 hours remaining, 208.750000 MB of memory in use. ENERGY: 4955800 748.7870 2087.2204 1918.5990 102.1963 -206112.2035 17742.3914 0.0000 0.0000 34014.5399 -149498.4696 297.0574 -183513.0095 -149407.7198 298.3574 -46.4362 -14.5434 557722.9685 -6.0817 -6.0157 PRESSURE: 4956000 99.0728 -36.3736 198.611 -36.3743 251.689 5.12618 198.609 5.1274 34.4414 GPRESSURE: 4956000 148.142 -17.199 212.999 -10.1 258.432 49.2705 113.993 96.0461 84.5607 PRESSAVG: 4956000 -62.2454 9.42828 41.14 9.4283 -8.25009 -2.77413 41.14 -2.77417 50.3658 GPRESSAVG: 4956000 -62.346 8.27988 42.5764 8.39762 -9.29271 -4.17288 38.6856 -0.612858 51.0096 TIMING: 4956000 CPU: 14706.1, 0.00294016/step Wall: 14706.1, 0.00294016/step, 0.0359353 hours remaining, 208.750000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4956000 723.7628 2059.3641 1926.9141 140.9686 -206733.5747 18073.0798 0.0000 0.0000 34253.7559 -149555.7293 299.1466 -183809.4853 -149456.9188 298.0654 128.4011 163.7116 556605.6153 -6.7099 -6.8764 PRESSURE: 4956200 -130.083 58.0681 69.4836 58.0681 36.7115 48.0435 69.4839 48.045 -283.134 GPRESSURE: 4956200 -80.2138 73.9275 3.32688 59.3136 44.8323 67.1379 127.7 6.97712 -250.513 PRESSAVG: 4956200 -58.9804 -11.0737 1.48824 -11.0737 52.2285 15.6231 1.48833 15.6231 -1.10094 GPRESSAVG: 4956200 -59.6796 -9.7626 -0.377638 -12.4452 52.3784 13.6368 4.41231 15.7165 -0.211096 TIMING: 4956200 CPU: 14706.7, 0.00295092/step Wall: 14706.7, 0.00295092/step, 0.0359028 hours remaining, 208.750000 MB of memory in use. ENERGY: 4956200 725.0596 2147.0630 1962.6971 113.0445 -206162.0491 17548.8188 0.0000 0.0000 34259.3195 -149406.0466 299.1952 -183665.3661 -149319.1697 299.0732 -125.5020 -95.2982 556822.6165 -2.6176 -2.5041 LDB: ============= START OF LOAD BALANCING ============== 14710.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14710.2 LDB: =============== DONE WITH MIGRATION ================ 14710.2 LDB: ============= START OF LOAD BALANCING ============== 14710.5 LDB: Largest compute 4801 load 0.023629 is 19.9% of average load 0.118447 LDB: Average compute 0.001724 is 1.5% of average load 0.118447 LDB: TIME 14710.5 LOAD: AVG 0.118447 MAX 0.198197 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.062 MB LDB: TIME 14710.5 LOAD: AVG 0.118447 MAX 0.198197 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: TIME 14710.5 LOAD: AVG 0.118447 MAX 0.198197 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14710.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14710.5 PRESSURE: 4956400 30.9614 69.9315 74.0041 69.9328 -11.9439 83.5936 74.003 83.5938 147.178 GPRESSURE: 4956400 62.4079 25.8683 147.39 127.127 4.13787 6.53052 141.954 155.939 211.897 PRESSAVG: 4956400 -15.7324 20.1577 -14.9038 20.1578 -4.23198 51.0596 -14.9038 51.0596 38.1513 GPRESSAVG: 4956400 -15.071 19.1441 -14.7235 21.1942 -5.09175 53.6934 -16.5838 50.8372 37.9578 TIMING: 4956400 CPU: 14707.3, 0.00303813/step Wall: 14707.3, 0.00303814/step, 0.0367952 hours remaining, 207.527344 MB of memory in use. ENERGY: 4956400 721.1908 2085.1918 1946.5013 113.0890 -206572.1330 17871.5702 0.0000 0.0000 34404.5575 -149430.0323 300.4636 -183834.5899 -149333.0118 299.3937 55.3984 92.8141 556324.9780 6.0623 5.9317 PRESSURE: 4956600 133.612 136.777 -123.166 136.777 -139.466 97.2946 -123.167 97.2931 -71.3173 GPRESSURE: 4956600 156.743 107.808 -167.816 164.494 -62.1045 105.473 -113.487 84.1651 -77.0894 PRESSAVG: 4956600 -63.7885 14.3762 11.664 14.3763 -12.6532 33.3866 11.664 33.3865 101.037 GPRESSAVG: 4956600 -64.1976 13.1882 12.8477 15.6864 -11.6242 29.6339 12.8704 32.5842 100.606 TIMING: 4956600 CPU: 14707.9, 0.00294943/step Wall: 14707.9, 0.00294943/step, 0.035557 hours remaining, 207.527344 MB of memory in use. ENERGY: 4956600 775.0692 2068.1497 1931.5674 111.0737 -206314.0982 17900.2192 0.0000 0.0000 34271.5173 -149256.5018 299.3017 -183528.0191 -149161.2912 298.7141 -25.7238 5.8496 556896.9924 8.1983 8.2615 PRESSURE: 4956800 -165.53 50.4488 -124.554 50.4491 7.91817 96.3598 -124.553 96.3597 -85.1004 GPRESSURE: 4956800 -92.0512 -47.7894 -21.1254 129.897 18.3077 139.729 -172.254 77.4991 -71.0887 PRESSAVG: 4956800 -58.3847 24.3209 -8.53243 24.3209 -24.3864 26.079 -8.53247 26.079 27.9511 GPRESSAVG: 4956800 -57.7778 25.6647 -10.0456 24.6237 -25.3012 29.9828 -8.00807 24.1665 28.1786 TIMING: 4956800 CPU: 14708.4, 0.00292935/step Wall: 14708.4, 0.00292935/step, 0.0351522 hours remaining, 207.527344 MB of memory in use. ENERGY: 4956800 794.9915 2117.2291 1956.8717 120.5108 -206144.5579 17725.1215 0.0000 0.0000 34346.1578 -149083.6755 299.9535 -183429.8333 -148984.9058 299.6743 -80.9042 -48.2774 556617.9388 -18.2733 -18.3001 PRESSURE: 4957000 -186.555 31.3491 99.6661 31.3486 -61.9114 -17.4915 99.6658 -17.4923 -114.835 GPRESSURE: 4957000 -154.553 61.829 45.9257 23.4616 -14.8182 67.3834 114.525 2.84033 -84.4044 PRESSAVG: 4957000 64.5655 39.8576 -6.51914 39.8576 -12.9047 -3.23164 -6.5191 -3.23165 -1.31683 GPRESSAVG: 4957000 64.4569 37.418 -7.1569 41.3337 -12.0836 -4.54254 -7.55202 -0.591501 -1.25928 TIMING: 4957000 CPU: 14709, 0.00294111/step Wall: 14709, 0.00294111/step, 0.0351299 hours remaining, 207.527344 MB of memory in use. ENERGY: 4957000 776.5450 2077.0938 1916.5046 116.0249 -205888.3809 17822.2335 0.0000 0.0000 34297.8186 -148882.1606 299.5314 -183179.9791 -148787.1909 300.0528 -121.1006 -84.5919 557946.1958 16.7813 17.0380 PRESSURE: 4957200 103.433 139.257 -1.0652 139.258 -132.837 -101.274 -1.0663 -101.273 -2.45622 GPRESSURE: 4957200 116.153 76.2645 12.803 101.407 -53.7274 -98.7947 16.2908 -103.641 3.61643 PRESSAVG: 4957200 1.48658 3.10311 -16.9 3.10314 33.0841 12.8166 -16.9 12.8166 -41.0339 GPRESSAVG: 4957200 2.23118 6.07936 -14.4255 -0.340914 32.6372 13.9434 -16.3988 10.7107 -41.6965 TIMING: 4957200 CPU: 14709.6, 0.00292777/step Wall: 14709.6, 0.00292777/step, 0.0348079 hours remaining, 207.527344 MB of memory in use. ENERGY: 4957200 747.3306 2095.1003 1931.6838 114.9219 -206133.6283 17822.3482 0.0000 0.0000 34600.1116 -148822.1319 302.1714 -183422.2435 -148728.8496 300.9454 -10.6201 22.0140 558834.5823 -2.1544 -2.2760 PRESSURE: 4957400 -158.451 -43.2996 -112.319 -43.299 97.658 -138.757 -112.318 -138.757 60.9367 GPRESSURE: 4957400 -92.0101 -18.2919 -167.538 -130.774 75.8986 -103.951 -77.9572 -208.266 122.165 PRESSAVG: 4957400 27.5987 -35.5185 -48.3485 -35.5184 -15.5574 -32.7399 -48.3485 -32.7399 -27.5146 GPRESSAVG: 4957400 27.3526 -35.3924 -49.1024 -34.2032 -16.9133 -34.4444 -49.4181 -32.1029 -25.6557 TIMING: 4957400 CPU: 14710.2, 0.00293905/step Wall: 14710.2, 0.00293905/step, 0.0347787 hours remaining, 207.527344 MB of memory in use. ENERGY: 4957400 735.0532 2075.8729 1965.3825 114.8209 -205901.0349 17816.3633 0.0000 0.0000 34422.7017 -148770.8405 300.6220 -183193.5422 -148670.0727 300.4300 0.0478 35.3511 558906.0041 -5.1578 -5.0721 PRESSURE: 4957600 152.013 13.9141 -8.13689 13.9148 25.5361 -100.421 -8.13685 -100.422 361.3 GPRESSURE: 4957600 159.311 11.9514 -11.843 -7.99198 53.4466 -132.696 -41.3805 -58.6655 414.247 PRESSAVG: 4957600 -87.8744 26.7428 -1.01705 26.7429 40.3891 -3.17529 -1.01703 -3.17524 17.229 GPRESSAVG: 4957600 -87.6447 26.4405 -1.52096 26.1199 41.9689 -4.24346 0.371664 -2.67518 15.7955 TIMING: 4957600 CPU: 14710.8, 0.00293852/step Wall: 14710.8, 0.00293852/step, 0.0346092 hours remaining, 207.527344 MB of memory in use. ENERGY: 4957600 742.1922 2000.3740 1978.6565 109.6712 -205763.1712 17770.0379 0.0000 0.0000 34317.9161 -148844.3232 299.7069 -183162.2393 -148740.2160 299.8979 179.6163 209.0015 557159.9351 -10.0854 -9.9601 PRESSURE: 4957800 -76.3249 -114.198 244.367 -114.198 -110.509 -115.283 244.366 -115.284 -76.2637 GPRESSURE: 4957800 -85.8528 -80.1287 248.193 -118.636 -60.9935 -105.95 284.615 -110.504 -29.5115 PRESSAVG: 4957800 45.6147 30.6037 -14.0237 30.6037 -19.4517 1.59866 -14.0237 1.59874 -22.1027 GPRESSAVG: 4957800 45.1015 31.3181 -14.5841 31.8676 -20.3959 3.37166 -14.1252 0.329419 -20.9207 TIMING: 4957800 CPU: 14711.4, 0.00295909/step Wall: 14711.4, 0.00295909/step, 0.0346871 hours remaining, 207.527344 MB of memory in use. ENERGY: 4957800 760.5845 2090.6449 1953.8918 113.3792 -205597.3021 17533.7931 0.0000 0.0000 34141.7877 -149003.2208 298.1687 -183145.0085 -148908.1021 299.9896 -87.6993 -58.7859 558480.4657 1.3534 1.2616 PRESSURE: 4958000 99.5709 9.83257 -129.472 9.83259 139.071 -42.8349 -129.471 -42.8346 172.097 GPRESSURE: 4958000 208.534 33.5283 -144.71 61.2819 171.926 -38.1552 -42.6602 -8.36401 139.73 PRESSAVG: 4958000 64.5915 1.41649 21.3371 1.41656 -38.4622 -15.0926 21.3372 -15.0927 -42.3821 GPRESSAVG: 4958000 65.6824 -1.09248 21.153 2.09795 -38.4987 -16.634 22.8004 -14.9413 -43.7104 TIMING: 4958000 CPU: 14712, 0.00292936/step Wall: 14712, 0.00292937/step, 0.0341759 hours remaining, 207.527344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4958000 749.7719 2119.9152 1934.8779 107.0989 -206098.3723 17701.5643 0.0000 0.0000 34439.4082 -149045.7359 300.7679 -183485.1441 -148953.0669 299.8523 136.9129 173.3970 556132.2630 -5.4176 -5.5089 PRESSURE: 4958200 28.3059 47.0299 -103.53 47.0302 113.19 -50.8875 -103.53 -50.8879 237.221 GPRESSURE: 4958200 65.4276 -29.1428 -35.5555 144.982 178.323 -0.709872 -26.6122 -9.98574 228.684 PRESSAVG: 4958200 -14.1233 29.0742 -29.1656 29.0743 -31.6695 -45.8131 -29.1656 -45.813 -6.69559 GPRESSAVG: 4958200 -14.6837 31.1065 -28.5058 28.6956 -31.765 -42.8771 -29.4977 -46.9261 -5.46255 TIMING: 4958200 CPU: 14712.6, 0.00293364/step Wall: 14712.6, 0.00293364/step, 0.0340628 hours remaining, 207.527344 MB of memory in use. ENERGY: 4958200 714.0288 2101.1420 1937.7432 108.1287 -206254.0314 17905.4588 0.0000 0.0000 34492.6496 -148994.8803 301.2329 -183487.5300 -148901.4660 300.1098 126.2390 157.4779 556361.0993 -17.4961 -17.3037 PRESSURE: 4958400 -100.735 -148.359 34.2123 -148.359 101 -59.1293 34.2137 -59.1298 -46.0382 GPRESSURE: 4958400 -65.9538 -74.7848 50.481 -201.238 112.912 -2.50964 -6.74917 -62.3092 8.83338 PRESSAVG: 4958400 22.1005 -9.06133 -17.9303 -9.06134 -59.4127 -32.9332 -17.9304 -32.9332 17.4083 GPRESSAVG: 4958400 21.5617 -9.82855 -18.1533 -8.00388 -58.3819 -33.4055 -17.9081 -32.9312 17.4772 TIMING: 4958400 CPU: 14713.1, 0.00295078/step Wall: 14713.1, 0.00295078/step, 0.0340979 hours remaining, 207.527344 MB of memory in use. ENERGY: 4958400 751.1127 2051.4551 1945.6781 113.3244 -206012.7918 17754.0795 0.0000 0.0000 34522.8886 -148874.2534 301.4970 -183397.1419 -148771.5934 300.2750 -15.2578 18.5971 558343.1685 -6.6347 -6.4477 PRESSURE: 4958600 22.021 -188.718 -4.06528 -188.719 -62.9114 166.04 -4.06426 166.04 -128.873 GPRESSURE: 4958600 56.9828 -140.225 -39.6187 -155.646 -5.40375 163.11 46.0677 98.0985 -131.372 PRESSAVG: 4958600 -2.0321 -36.0201 9.0896 -36.0202 75.884 -13.3374 9.08961 -13.3375 -68.6839 GPRESSAVG: 4958600 -1.71114 -37.887 7.45304 -37.0033 74.9069 -14.0976 7.69482 -10.5656 -68.7557 TIMING: 4958600 CPU: 14713.7, 0.00294527/step Wall: 14713.7, 0.00294528/step, 0.0338707 hours remaining, 207.527344 MB of memory in use. ENERGY: 4958600 743.5299 2104.3863 1958.7030 114.5206 -205763.0920 17642.9760 0.0000 0.0000 34380.6991 -148818.2771 300.2552 -183198.9762 -148728.6617 300.0432 -56.5878 -26.5975 557900.4705 1.7227 1.4800 PRESSURE: 4958800 -362.308 -74.3527 102.227 -74.3533 -64.3642 -27.5297 102.228 -27.5293 -132.803 GPRESSURE: 4958800 -299.119 -48.9007 42.5312 -114.622 -65.1778 -53.5276 62.9069 -127.569 -95.0914 PRESSAVG: 4958800 -23.613 -3.10668 25.4165 -3.10669 54.0788 42.7216 25.4165 42.7216 -30.3659 GPRESSAVG: 4958800 -22.682 -0.565864 26.6924 -5.94011 54.3309 42.5671 28.2552 41.8214 -31.2421 TIMING: 4958800 CPU: 14714.3, 0.00294406/step Wall: 14714.3, 0.00294406/step, 0.0336931 hours remaining, 207.527344 MB of memory in use. ENERGY: 4958800 773.4244 2095.5386 1931.5828 116.3060 -205742.3804 17447.7960 0.0000 0.0000 34489.0178 -148888.7149 301.2012 -183377.7327 -148785.1643 300.5752 -186.4919 -153.1293 558221.3409 0.0333 0.1356 PRESSURE: 4959000 26.5058 46.3319 -221.711 46.3316 -234.32 0.681886 -221.712 0.681645 52.0678 GPRESSURE: 4959000 7.54945 107.352 -204.295 39.6764 -142.144 21.3997 -207.988 -54.5117 67.3241 PRESSAVG: 4959000 -44.3805 17.7418 3.23537 17.7417 -16.8128 -43.7746 3.23531 -43.7747 46.391 GPRESSAVG: 4959000 -45.0206 18.684 3.98483 18.2203 -16.5813 -42.5373 0.46355 -43.5501 47.0262 TIMING: 4959000 CPU: 14714.9, 0.00293179/step Wall: 14714.9, 0.00293179/step, 0.0333899 hours remaining, 207.527344 MB of memory in use. ENERGY: 4959000 731.8180 2098.2076 1934.3623 102.5207 -205601.5368 17647.0500 0.0000 0.0000 34299.5912 -148787.9871 299.5469 -183087.5783 -148684.0654 300.4656 -51.9156 -22.4235 557814.2499 -4.9341 -4.8586 PRESSURE: 4959200 -218.505 48.0678 -61.7665 48.0676 -202.582 -125.999 -61.7671 -125.999 98.9535 GPRESSURE: 4959200 -157.023 -3.95375 -113.876 130.667 -210.085 -79.2995 -66.6871 -159.546 138.448 PRESSAVG: 4959200 -18.8703 -54.1508 -50.7109 -54.1508 -27.3075 -46.0932 -50.7109 -46.0933 64.2825 GPRESSAVG: 4959200 -18.8749 -55.5175 -52.0451 -52.9382 -26.7248 -46.7672 -47.383 -46.5133 63.8731 TIMING: 4959200 CPU: 14715.5, 0.00293669/step Wall: 14715.5, 0.00293669/step, 0.0332825 hours remaining, 207.527344 MB of memory in use. ENERGY: 4959200 813.0453 2109.0855 1927.4358 125.4207 -205855.4644 17596.1530 0.0000 0.0000 34375.8402 -148908.4839 300.2128 -183284.3241 -148811.4089 300.6828 -107.3780 -76.2200 556147.6593 6.0349 6.0911 PRESSURE: 4959400 244.962 -43.739 111.257 -43.7386 -58.4382 -196.302 111.256 -196.302 -321.554 GPRESSURE: 4959400 218.032 -119.128 130.096 -35.3339 -62.5101 -153.774 109.151 -132.084 -202.245 PRESSAVG: 4959400 69.7283 1.17223 -23.3459 1.17221 -31.5816 -32.1107 -23.346 -32.1108 -19.5254 GPRESSAVG: 4959400 70.9901 1.172 -20.6027 1.0046 -32.0709 -32.4455 -26.2691 -32.0394 -20.1067 TIMING: 4959400 CPU: 14716.1, 0.00293865/step Wall: 14716.1, 0.00293865/step, 0.0331414 hours remaining, 207.527344 MB of memory in use. ENERGY: 4959400 771.0488 2091.9231 1955.5790 114.6634 -206010.7530 17713.0531 0.0000 0.0000 34544.9256 -148819.5600 301.6894 -183364.4856 -148721.9757 301.0796 -45.0104 -15.5744 557186.6684 6.2071 6.2708 PRESSURE: 4959600 -107.937 -39.8534 94.96 -39.8534 142.746 -22.7678 94.9597 -22.7683 -148.077 GPRESSURE: 4959600 -71.1066 -87.3959 95.5504 27.1451 186.166 -61.4323 88.4953 49.605 -120.388 PRESSAVG: 4959600 21.0013 16.7537 29.6273 16.7537 30.0779 -11.5419 29.6273 -11.5419 -10.3617 GPRESSAVG: 4959600 19.2394 17.1439 27.8034 17.4542 30.459 -9.64656 30.4328 -10.6013 -8.90701 TIMING: 4959600 CPU: 14716.7, 0.00293433/step Wall: 14716.7, 0.00293433/step, 0.0329297 hours remaining, 207.527344 MB of memory in use. ENERGY: 4959600 773.5661 2088.5819 1925.3222 114.1271 -205864.5301 17636.1573 0.0000 0.0000 34385.7451 -148941.0302 300.2993 -183326.7754 -148848.0026 300.2930 -37.7558 -1.7764 556496.4710 13.5725 13.5971 PRESSURE: 4959800 76.0427 18.5324 -5.02816 18.5326 -16.5831 -86.8385 -5.02664 -86.8398 -162.418 GPRESSURE: 4959800 123.637 70.0628 6.28775 -60.3377 -37.4674 -147.889 0.355984 -68.0531 -104.851 PRESSAVG: 4959800 84.2456 4.84364 -12.4028 4.84357 -16.283 -30.6604 -12.4028 -30.6603 -13.6433 GPRESSAVG: 4959800 85.715 6.07627 -11.4711 2.96522 -17.6137 -32.7114 -11.4757 -31.8705 -13.6756 TIMING: 4959800 CPU: 14717.3, 0.00294461/step Wall: 14717.3, 0.00294461/step, 0.0328815 hours remaining, 207.527344 MB of memory in use. ENERGY: 4959800 733.7896 2123.2973 1931.8816 129.3673 -205956.2126 17770.8775 0.0000 0.0000 34406.8783 -148860.1211 300.4838 -183266.9994 -148764.2028 300.0828 -34.3196 -6.2270 557391.1187 18.1065 18.1419 PRESSURE: 4960000 65.4936 -148.649 149.405 -148.648 -81.8555 9.03814 149.404 9.03532 -209.222 GPRESSURE: 4960000 130.303 -116.685 118.65 -149.201 -74.2964 -117.834 111.809 110.364 -204.151 PRESSAVG: 4960000 62.6204 -7.4835 77.6353 -7.48352 -66.2166 -62.1623 77.6352 -62.1621 -15.5478 GPRESSAVG: 4960000 62.0315 -8.99387 75.2363 -5.22608 -64.8843 -63.0517 78.9721 -60.6068 -15.9281 TIMING: 4960000 CPU: 14717.8, 0.00293188/step Wall: 14717.8, 0.00293188/step, 0.0325765 hours remaining, 207.527344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4960000 739.6708 2116.6528 1928.8050 119.0227 -205525.9331 17494.5024 0.0000 0.0000 34266.5703 -148860.7092 299.2585 -183127.2795 -148764.1100 299.7102 -75.1948 -49.3815 558370.0111 -6.3814 -6.2603 PRESSURE: 4960200 4.59556 45.9342 -7.30899 45.935 206.736 -33.8906 -7.30875 -33.8906 37.1126 GPRESSURE: 4960200 46.9135 34.7505 54.0154 66.3374 230.22 7.03066 -75.912 -24.2422 79.2496 PRESSAVG: 4960200 -11.73 1.60809 26.2726 1.60821 14.7827 7.9895 26.2727 7.98945 -22.2489 GPRESSAVG: 4960200 -12.8748 1.50051 28.1002 0.736588 15.0628 7.60862 24.2557 8.94817 -21.799 TIMING: 4960200 CPU: 14718.4, 0.00292213/step Wall: 14718.4, 0.00292213/step, 0.0323058 hours remaining, 207.527344 MB of memory in use. ENERGY: 4960200 769.5453 2117.7419 1941.0673 111.5992 -206331.7164 17916.7676 0.0000 0.0000 34675.3509 -148799.6443 302.8285 -183474.9951 -148701.2657 301.3531 82.8148 118.7944 557638.2626 -6.3987 -6.5370 LDB: ============= START OF LOAD BALANCING ============== 14722 LDB: ============== END OF LOAD BALANCING =============== 14722 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14722 LDB: ============= START OF LOAD BALANCING ============== 14722.3 LDB: Largest compute 4801 load 0.022371 is 18.9% of average load 0.118347 LDB: Average compute 0.001725 is 1.5% of average load 0.118347 LDB: TIME 14722.3 LOAD: AVG 0.118347 MAX 0.196276 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.551 MB LDB: TIME 14722.3 LOAD: AVG 0.118347 MAX 0.196276 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.551 MB LDB: TIME 14722.3 LOAD: AVG 0.118347 MAX 0.196276 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.551 MB LDB: ============== END OF LOAD BALANCING =============== 14722.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14722.3 PRESSURE: 4960400 -170.348 73.2087 34.3015 73.2092 -162.36 135.265 34.3025 135.263 -67.049 GPRESSURE: 4960400 -47.1719 18.1337 47.7523 157.197 -192.267 86.8481 7.0867 121.297 -62.7796 PRESSAVG: 4960400 49.0221 -35.5062 -2.68048 -35.5063 10.2496 -22.7295 -2.68051 -22.7294 -61.0513 GPRESSAVG: 4960400 50.2373 -34.8695 -1.84122 -35.8241 10.3608 -21.3764 -2.56951 -23.8225 -62.5839 TIMING: 4960400 CPU: 14719, 0.00297984/step Wall: 14719, 0.00297985/step, 0.0327783 hours remaining, 209.320312 MB of memory in use. ENERGY: 4960400 693.4928 2115.6518 1927.5353 115.3012 -205439.4331 17432.3727 0.0000 0.0000 34432.8442 -148722.2350 300.7106 -183155.0792 -148623.0154 300.2285 -133.2522 -100.7394 558426.4384 -0.5932 -0.6619 PRESSURE: 4960600 -32.9132 -68.3615 103.707 -68.3616 151.129 50.1619 103.707 50.1624 -9.23951 GPRESSURE: 4960600 4.65828 -115.495 52.6341 -63.1939 203.544 6.71276 76.7875 32.6302 -8.1243 PRESSAVG: 4960600 -6.39125 57.7627 -33.7778 57.7627 -15.0973 -6.96533 -33.7777 -6.96532 33.0093 GPRESSAVG: 4960600 -5.95392 57.0192 -34.8416 58.3905 -15.9956 -5.68162 -32.1043 -9.58129 33.6293 TIMING: 4960600 CPU: 14719.6, 0.00293974/step Wall: 14719.6, 0.00293974/step, 0.0321738 hours remaining, 209.320312 MB of memory in use. ENERGY: 4960600 717.3718 2095.9434 1928.9329 123.3866 -205742.1208 17800.7083 0.0000 0.0000 34174.8519 -148900.9259 298.4575 -183075.7778 -148804.0723 300.4168 36.3254 66.6928 556834.1301 3.8402 3.8933 PRESSURE: 4960800 44.6609 76.5385 -47.2988 76.5397 -89.8635 189.402 -47.2995 189.402 -134.561 GPRESSURE: 4960800 89.5388 37.5245 -184.788 106.095 -68.2115 185.067 -9.70123 210.919 -113.439 PRESSAVG: 4960800 -40.138 27.1564 -49.3147 27.1564 30.3682 -6.18394 -49.3148 -6.18386 10.3949 GPRESSAVG: 4960800 -41.375 25.8777 -50.1378 26.3602 30.3601 -6.33061 -50.4848 -6.10481 11.9502 TIMING: 4960800 CPU: 14720.2, 0.00292849/step Wall: 14720.2, 0.00292849/step, 0.031888 hours remaining, 209.320312 MB of memory in use. ENERGY: 4960800 772.1447 2148.7331 1929.2534 117.6172 -205937.1029 17716.2262 0.0000 0.0000 34386.3366 -148866.7917 300.3044 -183253.1283 -148765.6525 300.2746 -59.9211 -30.7039 557677.8214 0.2084 0.3118 PRESSURE: 4961000 -216.955 87.6357 -159.314 87.6358 86.1004 -97.4269 -159.313 -97.426 -174.119 GPRESSURE: 4961000 -122.512 66.3922 -201.593 133.481 80.0159 -178.3 -127.934 -40.5813 -174.545 PRESSAVG: 4961000 26.8664 -16.5741 -26.748 -16.5741 -19.4408 29.668 -26.7479 29.668 -34.4499 GPRESSAVG: 4961000 27.2748 -16.6285 -25.9227 -17.2843 -18.415 28.774 -26.7323 31.0531 -35.8506 TIMING: 4961000 CPU: 14720.8, 0.00290534/step Wall: 14720.8, 0.00290534/step, 0.0314746 hours remaining, 209.320312 MB of memory in use. ENERGY: 4961000 757.4763 2164.2784 1927.2732 122.7654 -205915.5432 17747.4227 0.0000 0.0000 34280.8287 -148915.4986 299.3830 -183196.3273 -148817.8931 300.8206 -101.6578 -72.3470 557700.1203 -9.0081 -8.9969 PRESSURE: 4961200 -221.392 100.993 20.1135 100.992 -1.71195 75.1793 20.1133 75.1797 166.922 GPRESSURE: 4961200 -183.077 186.858 62.8853 26.1913 17.2162 26.0835 46.5048 169.94 203.146 PRESSAVG: 4961200 -21.0032 5.00576 3.45727 5.0058 28.8984 -20.0609 3.45722 -20.0609 53.6554 GPRESSAVG: 4961200 -19.6162 6.88844 3.45642 5.41126 27.4806 -21.605 5.47513 -20.5064 54.271 TIMING: 4961200 CPU: 14721.4, 0.00293736/step Wall: 14721.4, 0.00293736/step, 0.0316582 hours remaining, 209.320312 MB of memory in use. ENERGY: 4961200 770.4228 2102.9273 1944.9335 122.6265 -206154.5649 17726.1243 0.0000 0.0000 34544.1721 -148943.3586 301.6828 -183487.5307 -148844.6442 300.3227 -18.7273 12.4281 556197.9585 20.5169 20.7118 PRESSURE: 4961400 2.30193 -245.601 -94.2414 -245.602 5.09701 102.951 -94.2417 102.95 -18.8793 GPRESSURE: 4961400 45.3777 -260.724 -36.6418 -280.475 17.2627 153.59 -173.406 28.841 30.0005 PRESSAVG: 4961400 4.97274 -53.8434 -6.09334 -53.8434 -56.3706 29.8714 -6.09335 29.8715 27.7763 GPRESSAVG: 4961400 5.55428 -55.2027 -5.10993 -54.1952 -56.0534 32.1055 -6.98472 30.6239 27.1478 TIMING: 4961400 CPU: 14722, 0.00294073/step Wall: 14722, 0.00294073/step, 0.0315311 hours remaining, 209.320312 MB of memory in use. ENERGY: 4961400 723.2539 2058.3443 1939.9727 120.6726 -205981.1245 17823.4800 0.0000 0.0000 34548.2807 -148767.1202 301.7187 -183315.4009 -148672.1618 300.1734 -3.8268 30.8803 558566.0699 -7.8738 -7.7838 PRESSURE: 4961600 194.983 -125.616 -36.3968 -125.615 217.455 -127.861 -36.3975 -127.862 -37.9096 GPRESSURE: 4961600 226.935 -72.3903 -92.5812 -116.695 239.621 -109.833 -59.3801 -126.205 6.50629 PRESSAVG: 4961600 -4.89876 29.1716 -2.67271 29.1716 -11.6408 -50.4676 -2.67276 -50.4676 31.1424 GPRESSAVG: 4961600 -5.86082 28.4535 -4.35333 31.0991 -11.1077 -50.2867 -2.0847 -49.9141 31.1727 TIMING: 4961600 CPU: 14722.5, 0.00293727/step Wall: 14722.5, 0.00293727/step, 0.0313309 hours remaining, 209.320312 MB of memory in use. ENERGY: 4961600 753.5902 2148.8828 1945.1311 117.0910 -206203.5818 18004.3793 0.0000 0.0000 34439.5553 -148794.9522 300.7692 -183234.5074 -148694.1254 300.8064 124.8428 157.6876 558108.2483 4.8676 4.7347 PRESSURE: 4961800 -109.634 109.232 144.573 109.231 87.4004 -3.40238 144.573 -3.40349 -50.0196 GPRESSURE: 4961800 -40.9612 64.172 120.444 98.3915 83.1975 57.0815 113.004 -16.543 -15.1176 PRESSAVG: 4961800 -48.8719 35.9162 69.3257 35.9162 -27.4891 -13.1547 69.3256 -13.1547 79.9203 GPRESSAVG: 4961800 -49.1123 37.8005 69.839 33.2365 -27.9582 -14.1249 68.853 -14.0501 79.8861 TIMING: 4961800 CPU: 14723.1, 0.00293555/step Wall: 14723.1, 0.00293555/step, 0.0311495 hours remaining, 209.578125 MB of memory in use. ENERGY: 4961800 746.6329 2044.3296 1955.5499 119.7770 -205711.9694 17738.1982 0.0000 0.0000 34326.3338 -148781.1480 299.7804 -183107.4818 -148674.0789 300.3026 -24.0843 9.0396 558771.5551 1.1864 0.9385 PRESSURE: 4962000 -24.3716 107.769 -42.6049 107.77 -78.9269 54.744 -42.6043 54.7437 -142.597 GPRESSURE: 4962000 13.7048 166.544 -98.7435 60.8321 33.2991 106.637 -7.365 58.8781 -191.012 PRESSAVG: 4962000 -78.1604 26.1929 -9.45513 26.1929 25.7955 6.45104 -9.45508 6.45112 29.1171 GPRESSAVG: 4962000 -78.2803 26.0629 -9.38483 27.9825 26.3959 6.73743 -7.44631 6.80187 28.7981 TIMING: 4962000 CPU: 14723.7, 0.00292455/step Wall: 14723.7, 0.00292455/step, 0.0308702 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4962000 744.2179 2101.6984 1933.0866 116.7855 -205678.4685 17631.2707 0.0000 0.0000 34495.8534 -148655.5560 301.2609 -183151.4094 -148564.2081 300.4632 -81.9650 -48.0027 558158.5633 -7.7493 -7.6954 PRESSURE: 4962200 -79.5501 147.125 77.9218 147.124 3.5482 -150.608 77.9224 -150.608 70.2599 GPRESSURE: 4962200 4.81473 164.093 152.843 161.64 49.6348 -221.134 44.5576 -104.751 38.1895 PRESSAVG: 4962200 -16.3965 53.7014 -37.5522 53.7014 -41.332 -35.4463 -37.5523 -35.4462 57.4074 GPRESSAVG: 4962200 -15.0989 52.122 -37.5749 53.67 -42.4005 -36.018 -39.5406 -37.1472 57.6881 TIMING: 4962200 CPU: 14724.3, 0.00292845/step Wall: 14724.3, 0.00292845/step, 0.0307488 hours remaining, 209.578125 MB of memory in use. ENERGY: 4962200 771.7224 2083.9417 1973.5129 107.8799 -205833.9070 17755.2061 0.0000 0.0000 34296.0959 -148845.5480 299.5163 -183141.6439 -148757.7099 299.7901 -1.9140 30.8797 558673.1868 -0.1071 0.0629 PRESSURE: 4962400 -14.5244 -110.077 62.1377 -110.077 236.763 71.8476 62.1383 71.848 101.128 GPRESSURE: 4962400 1.92668 -84.7622 46.4604 -100.163 287.167 142.302 103.556 90.9471 161.082 PRESSAVG: 4962400 -2.07988 52.9593 -8.83629 52.9595 9.23963 -7.01891 -8.83615 -7.01895 13.6112 GPRESSAVG: 4962400 -3.5222 53.1491 -7.05673 53.0013 9.22248 -7.46545 -7.56939 -5.17746 15.022 TIMING: 4962400 CPU: 14724.9, 0.0029055/step Wall: 14724.9, 0.0029055/step, 0.0303463 hours remaining, 209.578125 MB of memory in use. ENERGY: 4962400 721.9268 2123.5431 1950.2814 106.5336 -206220.1207 18121.2170 0.0000 0.0000 34494.2483 -148702.3706 301.2468 -183196.6189 -148608.0840 300.4413 107.7889 150.0588 559412.7394 6.9236 6.9074 PRESSURE: 4962600 200.164 -19.1606 -99.6063 -19.1611 344.294 74.1211 -99.6067 74.1215 54.6714 GPRESSURE: 4962600 261.477 -0.96713 -138.756 -66.5183 357.718 70.8622 -129.771 78.6549 79.2881 PRESSAVG: 4962600 37.0983 26.3937 47.8187 26.3938 -36.5656 18.4237 47.8186 18.4237 -42.3612 GPRESSAVG: 4962600 37.6086 27.0587 47.7254 25.4447 -36.3267 18.3831 47.1531 18.6065 -43.2074 TIMING: 4962600 CPU: 14725.5, 0.00292427/step Wall: 14725.5, 0.00292427/step, 0.03038 hours remaining, 209.578125 MB of memory in use. ENERGY: 4962600 750.7131 2078.6296 1953.9119 115.3848 -206031.5574 18031.0908 0.0000 0.0000 34372.7700 -148729.0572 300.1859 -183101.8271 -148627.7812 300.3578 199.7096 232.8278 558581.7969 -13.9429 -13.9752 PRESSURE: 4962800 -78.6089 170.796 -130.437 170.796 -102.638 13.1172 -130.435 13.1174 14.8621 GPRESSURE: 4962800 -37.8453 209.764 -111.919 186.107 -122.934 42.2221 -133.676 8.02053 100.127 PRESSAVG: 4962800 38.4241 -3.05065 -23.0229 -3.05062 -21.4177 -34.0477 -23.0229 -34.0477 7.5192 GPRESSAVG: 4962800 38.2443 -0.879663 -23.0874 -4.11054 -21.0017 -33.1303 -24.2581 -33.5317 7.08243 TIMING: 4962800 CPU: 14726.1, 0.00294085/step Wall: 14726.1, 0.00294085/step, 0.0303888 hours remaining, 209.578125 MB of memory in use. ENERGY: 4962800 742.2669 2120.3086 1965.0356 110.2105 -206020.3858 17742.5969 0.0000 0.0000 34484.1017 -148855.8656 301.1582 -183339.9673 -148756.8176 300.6607 -55.4617 -20.2174 557952.7538 8.1752 8.1083 PRESSURE: 4963000 122.069 -3.74684 -83.0285 -3.74742 114.849 1.58973 -83.0271 1.5896 364.325 GPRESSURE: 4963000 129.175 -30.7671 -60.5271 19.7608 197.82 -33.751 -64.0897 46.5954 363.745 PRESSAVG: 4963000 36.7773 16.1329 -37.7503 16.133 -58.5555 3.46327 -37.7503 3.46325 19.3299 GPRESSAVG: 4963000 36.6818 13.8238 -39.0465 18.1197 -59.0847 3.8058 -36.4164 2.4908 19.8723 TIMING: 4963000 CPU: 14726.6, 0.00291724/step Wall: 14726.6, 0.00291724/step, 0.0299828 hours remaining, 209.578125 MB of memory in use. ENERGY: 4963000 753.3229 2060.3833 1960.0715 115.2525 -206060.7621 18113.7534 0.0000 0.0000 34314.1264 -148743.8522 299.6738 -183057.9785 -148649.0792 299.9688 200.4144 230.2468 557680.7770 -0.8161 -0.8435 PRESSURE: 4963200 -249.679 -9.02556 -24.3676 -9.02383 169.154 -0.967445 -24.3662 -0.966773 -81.9785 GPRESSURE: 4963200 -181.41 -8.54735 -11.1496 18.5856 199.048 -28.5904 -28.9174 -39.2757 -72.7553 PRESSAVG: 4963200 -40.6464 6.72861 -35.8132 6.72865 54.354 2.97923 -35.8132 2.97922 -3.23472 GPRESSAVG: 4963200 -40.4405 4.97057 -34.5612 7.45713 55.2019 2.10567 -36.8808 2.7627 -3.48268 TIMING: 4963200 CPU: 14727.2, 0.00295968/step Wall: 14727.2, 0.00295968/step, 0.0302545 hours remaining, 209.578125 MB of memory in use. ENERGY: 4963200 701.4597 2131.5137 1953.3529 106.6385 -205721.3493 17554.8925 0.0000 0.0000 34454.6648 -148818.8271 300.9012 -183273.4919 -148719.1968 300.4406 -54.1678 -18.3724 558834.1709 3.4910 3.7595 PRESSURE: 4963400 78.0248 72.9592 78.5725 72.9588 228.441 94.8079 78.5725 94.8064 1.9396 GPRESSURE: 4963400 117.889 -14.4035 102.041 37.1009 245.643 98.2488 32.3735 115.015 53.1262 PRESSAVG: 4963400 -72.6947 -8.0682 -32.0374 -8.06818 48.9361 53.5715 -32.0375 53.5714 -6.13879 GPRESSAVG: 4963400 -73.5278 -8.61626 -33.6214 -8.87255 49.2981 55.2779 -31.9447 54.4883 -5.8036 TIMING: 4963400 CPU: 14727.8, 0.00294712/step Wall: 14727.8, 0.00294712/step, 0.0299624 hours remaining, 209.578125 MB of memory in use. ENERGY: 4963400 749.7214 2092.7730 1939.1950 114.9446 -206296.5722 18080.9830 0.0000 0.0000 34406.5058 -148912.4493 300.4806 -183318.9551 -148812.9218 299.8901 102.8018 138.8862 557518.2104 -9.9658 -10.0111 PRESSURE: 4963600 -156.3 -160.322 50.6864 -160.322 -62.9908 -0.732401 50.6875 -0.732086 -38.36 GPRESSURE: 4963600 -117.72 -134.067 -36.2426 -108.78 -16.6534 64.8633 110.268 -56.458 -30.4302 PRESSAVG: 4963600 -1.99172 37.9843 -10.3275 37.9845 -5.53509 26.7364 -10.3274 26.7364 56.1728 GPRESSAVG: 4963600 -2.16481 40.4963 -9.51821 37.4281 -5.21512 26.6409 -10.9203 25.177 55.9039 TIMING: 4963600 CPU: 14728.4, 0.00295196/step Wall: 14728.4, 0.00295196/step, 0.0298476 hours remaining, 209.578125 MB of memory in use. ENERGY: 4963600 748.9752 2088.2490 1962.4037 119.5937 -205847.1707 17635.6727 0.0000 0.0000 34290.7757 -149001.5006 299.4699 -183292.2763 -148901.1227 299.8034 -85.8836 -54.9347 557562.2670 16.2153 16.1747 PRESSURE: 4963800 167.741 63.381 51.7375 63.3809 149.717 -33.2863 51.7375 -33.2842 77.4894 GPRESSURE: 4963800 227.417 -11.9611 69.3803 80.6709 171.485 -8.75925 -13.9268 -33.3734 112.885 PRESSAVG: 4963800 59.5564 -21.3819 33.9188 -21.3818 18.1903 1.55898 33.9189 1.55897 -82.0443 GPRESSAVG: 4963800 61.3966 -21.4884 34.474 -21.0023 17.1801 -0.134803 34.2536 1.69627 -82.8027 TIMING: 4963800 CPU: 14729, 0.0029436/step Wall: 14729, 0.0029436/step, 0.0295996 hours remaining, 209.578125 MB of memory in use. ENERGY: 4963800 757.2458 2089.2124 1977.9920 120.2626 -206533.6916 17963.2479 0.0000 0.0000 34576.4355 -149049.2954 301.9646 -183625.7309 -148955.0009 299.1551 131.6491 170.5954 557711.0133 -1.4326 -1.4087 PRESSURE: 4964000 172.527 154.32 -0.914024 154.322 216.096 158.133 -0.913218 158.134 40.0564 GPRESSURE: 4964000 176.982 129.194 -40.4015 196.918 268.015 165.486 62.7884 102.468 69.7694 PRESSAVG: 4964000 105.32 3.6352 49.0622 3.63522 38.843 16.0039 49.0622 16.0038 -110.486 GPRESSAVG: 4964000 104.781 2.06648 48.2038 6.52101 39.1093 14.8323 49.1834 16.1496 -110.346 TIMING: 4964000 CPU: 14729.6, 0.00295194/step Wall: 14729.6, 0.00295194/step, 0.0295194 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4964000 710.0820 2040.0832 1937.4342 109.0119 -205976.2895 17914.9620 0.0000 0.0000 34236.2002 -149028.5160 298.9933 -183264.7162 -148936.4839 300.1130 142.8931 171.5888 557764.9633 11.2258 11.1816 PRESSURE: 4964200 -164.862 30.2538 47.1346 30.2526 -205.761 -89.7437 47.1347 -89.7441 40.812 GPRESSURE: 4964200 -149.923 -73.6736 17.7301 46.5081 -130.908 -36.5082 101.203 -81.8741 52.3199 PRESSAVG: 4964200 16.1621 10.3173 38.4768 10.3172 75.1714 -35.2772 38.4768 -35.277 -101.577 GPRESSAVG: 4964200 15.4582 10.0157 39.9671 8.17722 75.193 -33.5295 37.189 -34.6665 -100.749 TIMING: 4964200 CPU: 14730.2, 0.00293629/step Wall: 14730.2, 0.00293629/step, 0.0291998 hours remaining, 209.578125 MB of memory in use. ENERGY: 4964200 772.0673 2007.0937 1939.3306 106.1254 -206075.0436 17700.9408 0.0000 0.0000 34334.7548 -149214.7311 299.8540 -183549.4858 -149119.8857 299.5319 -109.9371 -76.1704 556551.1407 -3.4145 -3.3659 LDB: ============= START OF LOAD BALANCING ============== 14733.7 LDB: ============== END OF LOAD BALANCING =============== 14733.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14733.7 LDB: ============= START OF LOAD BALANCING ============== 14734 LDB: Largest compute 4801 load 0.022826 is 19.3% of average load 0.118264 LDB: Average compute 0.001724 is 1.5% of average load 0.118264 LDB: TIME 14734 LOAD: AVG 0.118264 MAX 0.195179 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.188 MB LDB: TIME 14734 LOAD: AVG 0.118264 MAX 0.195179 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.391 MB LDB: TIME 14734 LOAD: AVG 0.118264 MAX 0.195179 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.391 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14734 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14734 PRESSURE: 4964400 -58.5635 -24.7302 8.65887 -24.7303 -88.195 -54.407 8.66004 -54.4059 -74.2313 GPRESSURE: 4964400 32.9635 -8.65129 -7.13443 -15.8304 -66.4441 -66.052 -18.4054 -123.748 -86.0378 PRESSAVG: 4964400 20.1548 17.5703 35.2186 17.5703 28.5234 -36.9659 35.2186 -36.9659 -29.7694 GPRESSAVG: 4964400 20.5522 19.8135 34.1132 17.2133 28.7263 -36.0723 38.0144 -38.2978 -30.3798 TIMING: 4964400 CPU: 14730.8, 0.00297145/step Wall: 14730.8, 0.00297145/step, 0.0293843 hours remaining, 208.550781 MB of memory in use. ENERGY: 4964400 729.9279 2049.0419 1939.9346 111.9542 -206091.7564 17732.7107 0.0000 0.0000 34247.5198 -149280.6673 299.0921 -183528.1871 -149178.8179 299.2383 -73.6632 -39.8395 557301.3001 6.3029 6.2996 PRESSURE: 4964600 -280.988 -143.764 -33.5223 -143.764 62.6163 108.454 -33.5212 108.452 -140.606 GPRESSURE: 4964600 -250.178 -85.0349 -40.7786 -136.492 67.0552 189.193 -84.6192 85.5575 -73.5325 PRESSAVG: 4964600 23.2192 -16.2851 76.8206 -16.2851 -22.0551 24.8864 76.8207 24.8865 50.6766 GPRESSAVG: 4964600 21.7534 -17.0606 76.7667 -16.0589 -21.6863 25.553 73.7015 24.3229 51.4779 TIMING: 4964600 CPU: 14731.4, 0.00291142/step Wall: 14731.4, 0.00291142/step, 0.028629 hours remaining, 208.550781 MB of memory in use. ENERGY: 4964600 740.4340 2064.1153 1965.5266 107.1095 -206124.1792 17703.5785 0.0000 0.0000 34254.2750 -149289.1404 299.1511 -183543.4153 -149191.1473 298.7530 -119.6594 -85.5519 557709.7853 17.2803 17.1817 PRESSURE: 4964800 51.0716 -186.233 -95.6272 -186.232 89.254 -123.73 -95.626 -123.732 -228.328 GPRESSURE: 4964800 118.214 -209.404 -118.722 -255.791 103.176 -29.5748 18.0991 -152.29 -208.574 PRESSAVG: 4964800 -57.7445 -30.9489 -25.7543 -30.9489 14.0616 -3.5574 -25.7543 -3.55741 22.5978 GPRESSAVG: 4964800 -58.0335 -30.7088 -25.1915 -31.9309 14.639 -5.05547 -25.156 -1.02958 21.8062 TIMING: 4964800 CPU: 14731.9, 0.00292408/step Wall: 14731.9, 0.00292408/step, 0.028591 hours remaining, 208.550781 MB of memory in use. ENERGY: 4964800 721.7572 2077.1175 1926.6460 120.6581 -206255.3187 17815.9391 0.0000 0.0000 34263.4320 -149329.7687 299.2311 -183593.2007 -149232.9057 298.8758 -29.3341 4.2720 557558.1878 -7.0284 -7.1961 PRESSURE: 4965000 178.294 38.3314 -91.8974 38.3322 -49.3184 53.0325 -91.8984 53.0303 -116.237 GPRESSURE: 4965000 156.006 12.16 -46.1774 89.0719 0.614602 34.9873 -206.074 54.2056 -46.5205 PRESSAVG: 4965000 -26.5809 -25.5396 45.5346 -25.5397 -54.7059 -28.1113 45.5345 -28.1113 61.5581 GPRESSAVG: 4965000 -26.5129 -26.1962 44.4708 -24.8845 -54.7843 -27.6515 44.8769 -29.4114 61.4327 TIMING: 4965000 CPU: 14732.5, 0.00291609/step Wall: 14732.5, 0.00291609/step, 0.0283509 hours remaining, 208.550781 MB of memory in use. ENERGY: 4965000 744.1737 2111.2611 1920.2920 103.9872 -206566.7130 18062.7164 0.0000 0.0000 34459.3047 -149164.9779 300.9417 -183624.2826 -149063.7143 299.2183 4.2461 36.7000 558311.2455 -6.5763 -6.6215 PRESSURE: 4965200 133.956 45.4407 133.862 45.4412 -72.521 -82.5657 133.861 -82.5665 198.685 GPRESSURE: 4965200 205.099 58.083 77.5394 57.0413 -44.2323 -64.0785 159.914 -45.9631 192.646 PRESSAVG: 4965200 -36.625 21.1302 -18.8708 21.1302 -6.96204 -4.01173 -18.8707 -4.01191 3.32253 GPRESSAVG: 4965200 -36.3579 21.1687 -18.3704 21.8902 -7.27503 -3.94798 -16.415 -4.04928 3.68776 TIMING: 4965200 CPU: 14733.1, 0.00292203/step Wall: 14733.1, 0.00292203/step, 0.0282463 hours remaining, 208.550781 MB of memory in use. ENERGY: 4965200 749.4200 2063.2282 1942.4230 114.0413 -206404.5912 17844.4036 0.0000 0.0000 34281.0902 -149409.9849 299.3853 -183691.0751 -149314.0966 299.6870 86.7065 117.8377 555795.3808 -13.4215 -13.3151 PRESSURE: 4965400 -159.108 -111.062 24.9787 -111.062 39.6386 62.8344 24.9793 62.8348 149.269 GPRESSURE: 4965400 -143.263 -101.35 46.3182 -8.42959 81.838 82.4224 55.7547 34.811 173.246 PRESSAVG: 4965400 -8.45507 -15.1078 34.6377 -15.1078 4.53008 -20.3358 34.6377 -20.3358 42.6584 GPRESSAVG: 4965400 -8.1355 -16.8787 35.7627 -14.8994 4.93541 -20.0994 32.8201 -19.0496 42.0612 TIMING: 4965400 CPU: 14733.7, 0.00293425/step Wall: 14733.7, 0.00293425/step, 0.0282014 hours remaining, 208.550781 MB of memory in use. ENERGY: 4965400 753.8691 2073.9306 1924.2617 123.5547 -206223.7405 17739.9300 0.0000 0.0000 34140.1636 -149468.0308 298.1545 -183608.1944 -149382.6058 299.1804 9.9332 37.2735 557099.2527 12.9111 12.9537 PRESSURE: 4965600 -139.313 -62.0938 -32.9285 -62.095 8.57473 93.731 -32.927 93.7308 -333.378 GPRESSURE: 4965600 -73.8931 -91.257 48.2379 -29.0822 -35.3326 159.106 -52.151 145.477 -255.274 PRESSAVG: 4965600 28.9889 4.64828 5.28124 4.64827 -74.2495 24.2721 5.28122 24.272 76.6695 GPRESSAVG: 4965600 29.0463 7.33075 5.57243 2.79731 -75.8225 23.9657 2.88671 24.1593 78.2825 TIMING: 4965600 CPU: 14734.3, 0.0029152/step Wall: 14734.3, 0.0029152/step, 0.0278563 hours remaining, 208.550781 MB of memory in use. ENERGY: 4965600 738.9365 2102.9632 1955.3641 106.2683 -206151.5744 17820.6623 0.0000 0.0000 34098.6324 -149328.7477 297.7918 -183427.3800 -149232.3028 299.0305 -154.7053 -121.5000 557965.9299 10.4696 10.5021 PRESSURE: 4965800 -140.208 95.5129 -121.192 95.5126 -287.642 9.72811 -121.191 9.72755 -129.375 GPRESSURE: 4965800 -122.978 53.3281 -49.3794 58.7655 -271.892 77.2302 57.0458 -65.6993 -67.8737 PRESSAVG: 4965800 3.57754 14.2075 -15.7854 14.2074 -20.7347 21.2243 -15.7854 21.2245 44.6121 GPRESSAVG: 4965800 3.81875 13.2501 -18.0315 14.0229 -20.1292 22.9669 -10.3486 17.8596 43.9518 TIMING: 4965800 CPU: 14734.9, 0.0029351/step Wall: 14734.9, 0.0029351/step, 0.0278834 hours remaining, 208.550781 MB of memory in use. ENERGY: 4965800 754.7352 2054.1448 1955.5539 109.5103 -205896.3592 17428.2052 0.0000 0.0000 34187.5436 -149406.6663 298.5683 -183594.2099 -149301.7483 298.6128 -185.7415 -154.2478 557193.8975 9.1516 9.2138 PRESSURE: 4966000 -287.963 127.476 88.3222 127.476 -196.53 -54.4704 88.3221 -54.4707 -271.226 GPRESSURE: 4966000 -211.922 5.69994 116.414 185.02 -197.554 -100.662 -8.49741 -17.1208 -244.595 PRESSAVG: 4966000 -33.7436 36.6881 -5.82586 36.688 -67.1753 0.311073 -5.8258 0.310988 105.771 GPRESSAVG: 4966000 -34.2847 35.43 -3.30775 38.2236 -66.8505 -0.144645 -10.4486 2.2194 105.984 TIMING: 4966000 CPU: 14735.4, 0.00293095/step Wall: 14735.4, 0.00293095/step, 0.0276812 hours remaining, 208.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4966000 744.6831 2115.1061 1897.6418 113.7265 -205840.7408 17399.5797 0.0000 0.0000 34186.5794 -149383.4243 298.5599 -183570.0037 -149290.8870 298.3843 -251.9064 -218.0235 559237.8699 1.6173 1.6163 PRESSURE: 4966200 -20.1628 -6.44258 -20.3777 -6.44304 -45.5104 -131.209 -20.3778 -131.209 32.2038 GPRESSURE: 4966200 45.8922 -12.4949 8.66056 -38.0145 -38.6341 -124.714 0.608729 -82.0122 71.9205 PRESSAVG: 4966200 -0.716142 -45.8662 -12.766 -45.8662 -35.7928 -35.5535 -12.766 -35.5534 3.7276 GPRESSAVG: 4966200 -1.39909 -44.7953 -13.1707 -47.0121 -35.1913 -38.5837 -11.3678 -35.6053 3.8878 TIMING: 4966200 CPU: 14736, 0.0029484/step Wall: 14736, 0.0029484/step, 0.0276822 hours remaining, 208.550781 MB of memory in use. ENERGY: 4966200 784.3887 2031.0780 1896.0062 113.1773 -206383.4563 17895.7038 0.0000 0.0000 34386.8318 -149276.2705 300.3088 -183663.1023 -149181.9131 299.0581 -11.1564 26.3928 558007.1827 -10.9271 -10.9009 PRESSURE: 4966400 55.3554 127.845 114.686 127.845 152.758 -46.6522 114.685 -46.652 -139.298 GPRESSURE: 4966400 65.4935 107.166 101.747 154.691 170.075 -28.0804 104.11 -23.026 -69.9495 PRESSAVG: 4966400 10.63 -26.1366 -15.413 -26.1365 -0.284243 -25.5535 -15.413 -25.5536 12.0736 GPRESSAVG: 4966400 11.9794 -25.0761 -15.2987 -28.3498 -1.8465 -24.4327 -17.0813 -25.197 12.1446 TIMING: 4966400 CPU: 14736.6, 0.00294255/step Wall: 14736.6, 0.00294255/step, 0.0274638 hours remaining, 208.550781 MB of memory in use. ENERGY: 4966400 774.6980 2073.7366 1915.5319 108.7677 -206240.2556 17703.0241 0.0000 0.0000 34436.2273 -149228.2699 300.7401 -183664.4972 -149132.3228 298.8634 22.9385 55.2063 556819.0161 7.4731 7.4258 PRESSURE: 4966600 -99.0511 -26.8702 22.1991 -26.8712 96.2903 -57.9432 22.1982 -57.9445 -240.811 GPRESSURE: 4966600 -46.2493 -39.7344 30.2064 44.402 123.494 -67.0611 -46.7039 -33.3865 -221.475 PRESSAVG: 4966600 -3.0513 36.7503 7.56445 36.7502 44.1786 -10.6548 7.56441 -10.6548 -21.0499 GPRESSAVG: 4966600 -4.61487 34.9803 7.24746 39.5386 45.8114 -9.56637 8.42136 -11.7285 -20.4242 TIMING: 4966600 CPU: 14737.2, 0.00293917/step Wall: 14737.2, 0.00293917/step, 0.0272689 hours remaining, 208.550781 MB of memory in use. ENERGY: 4966600 778.2049 2024.6005 1942.8342 118.0797 -206079.8317 17645.0037 0.0000 0.0000 34497.4003 -149073.7084 301.2744 -183571.1087 -148972.1600 299.3465 -81.1906 -48.0766 557419.1745 6.6925 6.9241 PRESSURE: 4966800 107.001 86.805 -76.5001 86.8052 -71.3193 -58.2651 -76.5003 -58.2657 84.6401 GPRESSURE: 4966800 139.998 71.4083 -75.118 93.1509 -56.1631 -6.57669 -36.6902 -78.0856 108.856 PRESSAVG: 4966800 85.1628 -52.2303 48.1364 -52.2303 -55.2211 36.8045 48.1364 36.8045 -61.0543 GPRESSAVG: 4966800 86.852 -52.4661 47.4956 -52.1657 -55.4386 35.8034 48.5368 38.7501 -62.5709 TIMING: 4966800 CPU: 14737.8, 0.00294869/step Wall: 14737.8, 0.00294869/step, 0.0271935 hours remaining, 208.550781 MB of memory in use. ENERGY: 4966800 786.3649 2056.5478 1930.2024 111.6861 -206465.7622 18003.7766 0.0000 0.0000 34533.9493 -149043.2351 301.5936 -183577.1844 -148951.2581 299.2165 40.1074 64.2304 557110.2689 -10.3709 -10.3858 PRESSURE: 4967000 -153.318 137.156 29.294 137.156 -86.9611 -38.1484 29.2946 -38.1483 -108.956 GPRESSURE: 4967000 -117.847 83.7902 -20.3282 110.055 -66.2138 -99.2405 105.013 20.7088 -65.3649 PRESSAVG: 4967000 41.3555 -25.2821 19.5989 -25.2821 -75.8272 59.4094 19.5989 59.4094 68.3022 GPRESSAVG: 4967000 41.2466 -24.5612 19.3621 -23.9842 -76.07 58.5826 19.3269 59.0258 68.6496 TIMING: 4967000 CPU: 14738.4, 0.00292634/step Wall: 14738.4, 0.00292634/step, 0.0268248 hours remaining, 208.550781 MB of memory in use. ENERGY: 4967000 741.4804 2040.2632 1944.5763 103.3920 -205454.4010 17486.3696 0.0000 0.0000 34268.2889 -148870.0306 299.2735 -183138.3195 -148777.5284 300.5483 -116.4117 -83.1419 558044.4875 11.2768 11.2754 PRESSURE: 4967200 -17.1998 -130.993 -44.2698 -130.994 -150.783 85.6595 -44.2696 85.6595 -34.6731 GPRESSURE: 4967200 -23.3223 -112.529 47.7201 -191.874 -94.9918 123.58 -108.797 45.2593 9.12373 PRESSAVG: 4967200 1.1666 -39.6686 -20.9048 -39.6686 -70.0502 10.7037 -20.9048 10.7039 10.3007 GPRESSAVG: 4967200 1.50998 -38.3597 -21.2693 -41.4034 -70.3149 10.4646 -20.2817 12.055 10.03 TIMING: 4967200 CPU: 14739, 0.00292026/step Wall: 14739, 0.00292027/step, 0.0266069 hours remaining, 208.550781 MB of memory in use. ENERGY: 4967200 741.8827 2081.8038 1944.2123 129.0438 -205907.8648 17661.2190 0.0000 0.0000 34509.9034 -148839.7998 301.3836 -183349.7032 -148732.6311 300.1651 -67.5518 -36.3968 558104.7347 -19.5276 -19.5916 PRESSURE: 4967400 181.326 28.0954 15.1699 28.0964 -153.741 -76.5932 15.1696 -76.5938 15.7185 GPRESSURE: 4967400 175.025 48.7704 44.3153 54.0875 -98.6139 -48.2916 -21.0072 -37.2404 64.3756 PRESSAVG: 4967400 30.0323 -50.385 -44.7658 -50.385 26.0586 -64.0458 -44.7658 -64.0458 -7.32112 GPRESSAVG: 4967400 29.7348 -51.8665 -45.2403 -50.5162 26.1407 -63.3969 -45.2019 -64.1677 -6.95816 TIMING: 4967400 CPU: 14739.6, 0.00294018/step Wall: 14739.6, 0.00294018/step, 0.0266249 hours remaining, 208.550781 MB of memory in use. ENERGY: 4967400 729.6110 2035.5306 1955.4596 107.8353 -205897.3570 17611.0000 0.0000 0.0000 34522.3479 -148935.5726 301.4923 -183457.9205 -148828.9872 300.9595 14.4345 46.9291 556980.6378 16.2566 16.3058 PRESSURE: 4967600 -219.633 -127.752 189.016 -127.751 -176.569 -28.6861 189.016 -28.6855 -50.1288 GPRESSURE: 4967600 -97.7966 -81.9518 185.719 -167.022 -189.096 85.0824 154.469 -78.2696 -75.4496 PRESSAVG: 4967600 35.0488 9.73916 7.9701 9.73919 -3.72355 -12.8518 7.97003 -12.8518 17.76 GPRESSAVG: 4967600 35.4127 10.2406 7.98378 9.50808 -3.49427 -13.7969 9.35123 -12.1952 17.2087 TIMING: 4967600 CPU: 14740.1, 0.00292856/step Wall: 14740.1, 0.00292856/step, 0.026357 hours remaining, 208.550781 MB of memory in use. ENERGY: 4967600 744.0179 2077.2611 1957.0296 124.4276 -205724.8183 17449.9610 0.0000 0.0000 34319.9542 -149052.1669 299.7247 -183372.1211 -148958.0728 300.3431 -148.7768 -120.7808 557063.5020 16.3618 16.3757 PRESSURE: 4967800 -33.6023 -106.183 -229.691 -106.182 86.0427 -69.2632 -229.692 -69.2645 125.252 GPRESSURE: 4967800 6.67815 -95.0968 -141.532 -144.988 122.32 -97.9897 -233.43 -66.6935 143.471 PRESSAVG: 4967800 5.21416 -37.2254 -4.99457 -37.2254 -7.23328 -39.0828 -4.99446 -39.0828 2.57024 GPRESSAVG: 4967800 4.93447 -38.7823 -4.10005 -35.4075 -7.02994 -37.339 -5.1703 -39.5368 2.15987 TIMING: 4967800 CPU: 14740.7, 0.00291902/step Wall: 14740.7, 0.00291902/step, 0.0261091 hours remaining, 208.550781 MB of memory in use. ENERGY: 4967800 732.9793 2107.2923 1955.0803 118.6975 -205979.2416 17849.6287 0.0000 0.0000 34210.8982 -149004.6652 298.7723 -183215.5634 -148912.2777 300.1969 59.2309 90.8231 557957.0503 0.1837 0.0215 PRESSURE: 4968000 192.36 135.133 94.4872 135.134 -55.9574 176.316 94.4874 176.318 12.6833 GPRESSURE: 4968000 178.301 80.7195 7.17021 159.715 28.9665 148.707 160.287 162.416 52.7146 PRESSAVG: 4968000 11.5278 -21.7989 49.3043 -21.7989 -18.7475 -22.5526 49.3044 -22.5526 -0.364813 GPRESSAVG: 4968000 11.4734 -21.8404 50.2383 -20.6492 -19.5639 -21.8231 49.5859 -23.8482 0.588438 TIMING: 4968000 CPU: 14741.3, 0.00294096/step Wall: 14741.3, 0.00294096/step, 0.0261418 hours remaining, 208.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4968000 755.7711 2044.2040 1905.7794 117.7033 -206022.5302 17903.7599 0.0000 0.0000 34224.3686 -149070.9439 298.8899 -183295.3126 -148969.6343 300.2035 49.6953 86.6608 556987.0817 -2.5282 -2.5007 PRESSURE: 4968200 -49.6934 48.775 101.98 48.7757 183.931 -309.23 101.98 -309.229 59.7516 GPRESSURE: 4968200 13.4655 54.9881 -52.9442 99.4218 180.705 -333.123 197.129 -334.369 96.0732 PRESSAVG: 4968200 61.4699 48.1687 23.2136 48.1687 -18.6811 -30.4095 23.2136 -30.4096 -17.2322 GPRESSAVG: 4968200 61.5744 47.4827 21.667 48.2423 -18.1674 -29.7859 23.912 -31.7132 -18.2465 TIMING: 4968200 CPU: 14741.9, 0.00291008/step Wall: 14741.9, 0.00291008/step, 0.0257057 hours remaining, 208.550781 MB of memory in use. ENERGY: 4968200 741.3821 2122.2326 1930.7655 119.0233 -206083.3835 17822.6303 0.0000 0.0000 34284.4599 -149062.8899 299.4147 -183347.3498 -148967.3271 299.7353 64.6629 96.7479 555913.2155 8.5189 8.3868 LDB: ============= START OF LOAD BALANCING ============== 14745.4 LDB: ============== END OF LOAD BALANCING =============== 14745.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14745.4 LDB: ============= START OF LOAD BALANCING ============== 14745.7 LDB: Largest compute 4801 load 0.021871 is 18.5% of average load 0.118287 LDB: Average compute 0.001714 is 1.4% of average load 0.118287 LDB: TIME 14745.7 LOAD: AVG 0.118287 MAX 0.19613 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.832 MB LDB: TIME 14745.7 LOAD: AVG 0.118287 MAX 0.19613 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.832 MB LDB: TIME 14745.7 LOAD: AVG 0.118287 MAX 0.19613 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 209.832 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14745.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14745.8 PRESSURE: 4968400 -77.5305 -4.53525 86.6825 -4.53619 -26.5492 135.19 86.681 135.191 53.1269 GPRESSURE: 4968400 -1.26768 16.8882 81.4907 -40.4555 -6.92041 116.566 213.394 168.607 55.786 PRESSAVG: 4968400 11.1671 -38.5575 6.77613 -38.5576 25.1245 -57.2254 6.77613 -57.2253 -19.3187 GPRESSAVG: 4968400 10.4503 -37.2438 10.1729 -42.0113 25.677 -59.911 5.82067 -55.6029 -19.2255 TIMING: 4968400 CPU: 14742.5, 0.00299089/step Wall: 14742.5, 0.00299089/step, 0.0262533 hours remaining, 209.167969 MB of memory in use. ENERGY: 4968400 720.9346 2073.1183 1917.0178 115.5803 -206294.6997 17673.5080 0.0000 0.0000 34709.6371 -149084.9035 303.1279 -183794.5407 -148990.6881 299.4119 -16.9843 15.8660 556945.8592 5.6576 5.6339 PRESSURE: 4968600 -386.944 45.4482 116.991 45.4489 3.42562 73.8289 116.992 73.8277 -139.601 GPRESSURE: 4968600 -350.98 -37.5258 61.0341 37.1201 59.7429 47.522 192.982 108.359 -139.728 PRESSAVG: 4968600 -87.4963 -11.5018 10.6052 -11.5017 45.2575 37.6095 10.6052 37.6096 21.4435 GPRESSAVG: 4968600 -85.891 -11.4606 5.89838 -10.368 44.2286 37.9571 12.155 38.7202 21.3739 TIMING: 4968600 CPU: 14743.1, 0.00291554/step Wall: 14743.1, 0.00291554/step, 0.02543 hours remaining, 209.371094 MB of memory in use. ENERGY: 4968600 723.0623 2071.3659 1925.6639 116.8227 -205601.9238 17552.8277 0.0000 0.0000 34098.9529 -149113.2284 297.7946 -183212.1813 -149014.0293 299.1795 -174.3732 -143.6550 558630.5022 -6.9318 -6.7629 PRESSURE: 4968800 -76.5046 88.3082 -3.85306 88.3089 104.955 -146.963 -3.85266 -146.961 110.402 GPRESSURE: 4968800 -13.4304 47.4013 -26.2834 163.071 152.367 -137.936 -74.0568 -157.037 95.3248 PRESSAVG: 4968800 -56.3988 32.4426 -7.58073 32.4426 46.6175 5.21179 -7.58075 5.21183 32.2446 GPRESSAVG: 4968800 -57.3785 33.2225 -7.07471 33.5383 46.6239 6.28693 -10.3692 3.45924 32.8981 TIMING: 4968800 CPU: 14743.7, 0.00292729/step Wall: 14743.7, 0.00292729/step, 0.0253699 hours remaining, 209.371094 MB of memory in use. ENERGY: 4968800 721.8631 2073.7617 1953.6971 119.5204 -205948.3802 17713.4321 0.0000 0.0000 34286.6604 -149079.4454 299.4339 -183366.1058 -148980.7250 299.6412 46.2839 78.0873 556178.2883 7.4878 7.3812 PRESSURE: 4969000 114.073 14.5842 -83.8241 14.5842 103.779 14.2855 -83.8247 14.2853 -139.214 GPRESSURE: 4969000 101.302 -58.2845 -58.5879 1.46655 134.995 7.11532 -52.8014 -43.3195 -54.5619 PRESSAVG: 4969000 -15.0381 18.7195 -16.4421 18.7195 41.7001 -31.2247 -16.4421 -31.2246 -23.7009 GPRESSAVG: 4969000 -14.7759 18.471 -17.9296 17.0599 42.8386 -30.0469 -13.7319 -30.4308 -24.3093 TIMING: 4969000 CPU: 14744.3, 0.0029414/step Wall: 14744.3, 0.0029414/step, 0.0253287 hours remaining, 209.371094 MB of memory in use. ENERGY: 4969000 744.4020 2082.7314 1936.2822 121.5754 -205774.0831 17713.7426 0.0000 0.0000 34182.0283 -148993.3212 298.5202 -183175.3495 -148899.1502 299.3314 26.2125 60.5783 558021.3168 0.9870 1.2511 PRESSURE: 4969200 128.497 108.832 153.599 108.833 -28.3409 -13.5199 153.599 -13.5195 -99.4034 GPRESSURE: 4969200 167.381 180.805 244.31 125.044 -1.48666 -23.3178 146.21 0.887752 -75.922 PRESSAVG: 4969200 35.8837 -3.36404 10.9115 -3.36404 36.3541 33.3022 10.9115 33.3022 -80.2749 GPRESSAVG: 4969200 37.2267 -3.8745 13.9471 -2.82337 36.0564 31.5316 10.0388 35.0937 -80.6693 TIMING: 4969200 CPU: 14744.8, 0.00291651/step Wall: 14744.8, 0.00291651/step, 0.0249524 hours remaining, 209.371094 MB of memory in use. ENERGY: 4969200 743.6344 2072.2083 1950.0090 120.0745 -206046.2224 17780.8930 0.0000 0.0000 34335.0650 -149044.3382 299.8567 -183379.4032 -148944.1753 299.3690 0.2509 29.9907 557139.8564 -2.6790 -2.4621 PRESSURE: 4969400 14.2259 -0.326176 -18.7632 -0.326905 5.51425 -68.0785 -18.7637 -68.0803 -54.3332 GPRESSURE: 4969400 35.2459 -1.44235 48.1608 26.5822 31.133 20.8096 -38.8196 -70.1587 -13.4825 PRESSAVG: 4969400 -0.80441 32.9115 62.1392 32.9115 5.48635 -2.86884 62.1392 -2.86896 -33.5367 GPRESSAVG: 4969400 -2.74461 32.1856 60.9288 32.8415 5.8204 -2.79276 60.7824 -2.88854 -31.976 TIMING: 4969400 CPU: 14745.4, 0.0029219/step Wall: 14745.4, 0.0029219/step, 0.0248361 hours remaining, 209.371094 MB of memory in use. ENERGY: 4969400 758.0272 2152.2818 1940.4460 120.4904 -206160.8233 17823.8272 0.0000 0.0000 34400.6753 -148965.0754 300.4297 -183365.7507 -148867.0317 299.7302 -11.5310 17.6321 558895.7357 -9.6182 -9.6334 PRESSURE: 4969600 -325.08 3.20117 -55.6149 3.20198 -112.065 52.6416 -55.6142 52.641 -181.693 GPRESSURE: 4969600 -260.666 -42.173 -54.9683 15.1469 -82.9346 21.9841 -41.1128 69.6646 -190.801 PRESSAVG: 4969600 16.0263 13.1447 -27.9386 13.1448 -2.39572 9.85447 -27.9386 9.85448 -0.685693 GPRESSAVG: 4969600 16.5385 12.5975 -26.7159 12.4709 -2.53912 10.3454 -27.3708 7.82916 -0.814301 TIMING: 4969600 CPU: 14746, 0.00291742/step Wall: 14746, 0.00291742/step, 0.024636 hours remaining, 209.371094 MB of memory in use. ENERGY: 4969600 776.8513 2134.0411 1952.5656 109.3643 -206056.7512 17636.3876 0.0000 0.0000 34428.3469 -149019.1946 300.6713 -183447.5414 -148924.6836 300.4930 -206.2793 -178.1341 557413.1213 4.3150 4.3950 PRESSURE: 4969800 -102.001 -61.0236 -16.7764 -61.0246 -70.8129 -212.222 -16.775 -212.221 -4.69311 GPRESSURE: 4969800 -26.4899 -7.51176 31.9262 -39.7817 -27.273 -233.762 -31.4374 -185.439 -14.3013 PRESSAVG: 4969800 -22.8933 32.9317 -5.28109 32.9316 -0.0865144 22.4151 -5.28112 22.4151 14.5848 GPRESSAVG: 4969800 -22.1969 33.0932 -5.23131 34.7634 -0.389813 21.5806 -5.13439 23.7718 13.8491 TIMING: 4969800 CPU: 14746.6, 0.00293023/step Wall: 14746.6, 0.00293023/step, 0.0245814 hours remaining, 209.371094 MB of memory in use. ENERGY: 4969800 750.8995 2060.7718 1947.6848 116.6515 -206097.2231 17738.5955 0.0000 0.0000 34359.2873 -149123.3326 300.0682 -183482.6200 -149028.0240 299.6102 -59.1690 -22.6880 557412.1000 -2.7983 -2.9125 PRESSURE: 4970000 115.246 78.4833 114.289 78.4832 62.0204 15.9213 114.291 15.9224 76.1216 GPRESSURE: 4970000 126.548 124.449 39.8467 61.7073 125.714 5.63166 134.344 51.1645 104.561 PRESSAVG: 4970000 -51.1631 17.2584 -32.6692 17.2583 46.5852 -30.5005 -32.6692 -30.5004 36.3431 GPRESSAVG: 4970000 -50.7908 18.4624 -33.0643 15.9947 45.6807 -30.859 -33.5206 -30.6529 36.7977 TIMING: 4970000 CPU: 14747.2, 0.002932/step Wall: 14747.2, 0.002932/step, 0.0244333 hours remaining, 209.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4970000 756.5411 2097.7870 1926.5556 109.0481 -206404.4343 17874.6131 0.0000 0.0000 34297.3995 -149342.4900 299.5277 -183639.8895 -149249.2158 299.5705 84.4626 118.9407 555529.3697 10.5884 10.5625 PRESSURE: 4970200 -85.6778 24.3566 2.03795 24.3567 -268.844 89.3358 2.03887 89.3386 252.903 GPRESSURE: 4970200 -45.5378 -26.7228 11.9875 93.9254 -160.706 68.8174 -70.2644 86.0157 221.174 PRESSAVG: 4970200 28.3993 42.3058 13.6353 42.3058 -43.3866 13.3075 13.6353 13.3075 23.3922 GPRESSAVG: 4970200 28.0323 41.5021 16.1125 42.0058 -43.4137 12.9018 12.8756 12.6166 23.9046 TIMING: 4970200 CPU: 14747.8, 0.00296473/step Wall: 14747.8, 0.00296473/step, 0.0245414 hours remaining, 209.371094 MB of memory in use. ENERGY: 4970200 753.2702 2073.5178 1950.8686 124.9736 -206114.0535 17688.2484 0.0000 0.0000 34257.0140 -149266.1609 299.1750 -183523.1749 -149167.9773 299.4171 -33.8731 4.9767 555912.9057 2.8017 2.8411 PRESSURE: 4970400 -172.523 -150.323 -52.82 -150.323 -16.6461 197.749 -52.8192 197.749 138.652 GPRESSURE: 4970400 -94.405 -137.049 37.0996 -80.2347 -24.2334 209.809 -76.6806 176.621 174.635 PRESSAVG: 4970400 -41.6298 7.74038 50.3394 7.7403 -32.5618 3.08249 50.3394 3.08242 77.0823 GPRESSAVG: 4970400 -41.9955 7.29416 47.0689 7.10867 -31.4435 3.2619 50.9043 4.00818 76.4807 TIMING: 4970400 CPU: 14748.4, 0.00298776/step Wall: 14748.4, 0.00298776/step, 0.0245661 hours remaining, 209.371094 MB of memory in use. ENERGY: 4970400 738.6219 2098.3653 1919.1433 123.5855 -205996.4409 17683.8703 0.0000 0.0000 34285.7368 -149147.1180 299.4259 -183432.8548 -149052.7173 299.7733 -16.8389 18.6657 557608.9419 0.9636 1.0139 PRESSURE: 4970600 55.5552 9.69017 -101.357 9.68981 33.8863 -17.2553 -101.358 -17.2527 -25.2715 GPRESSURE: 4970600 166.585 23.2438 -84.4826 13.8054 54.9541 -36.4114 -158.835 27.0618 -61.5387 PRESSAVG: 4970600 -58.5401 -1.77665 6.88473 -1.77659 31.2716 30.7591 6.8848 30.7591 33.6504 GPRESSAVG: 4970600 -57.379 -0.21157 6.86668 -1.19424 30.0502 30.82 9.55191 31.2808 34.5529 TIMING: 4970600 CPU: 14749, 0.00296953/step Wall: 14749, 0.00296953/step, 0.0242511 hours remaining, 209.371094 MB of memory in use. ENERGY: 4970600 759.7922 2068.6153 1925.6381 122.0667 -206337.5054 17865.3588 0.0000 0.0000 34213.2277 -149382.8066 298.7926 -183596.0343 -149284.5944 299.1772 21.3900 53.3334 557481.7616 2.1273 2.4080 PRESSURE: 4970800 387.965 225.19 59.9232 225.188 103.273 56.6041 59.9235 56.6019 -7.19782 GPRESSURE: 4970800 399.151 213.542 -31.5177 153.194 154.881 59.9701 104.153 14.3628 17.304 PRESSAVG: 4970800 8.06745 11.4656 8.24536 11.4656 -0.531561 42.5543 8.24529 42.5544 10.9081 GPRESSAVG: 4970800 7.68222 10.5408 7.66365 12.3417 0.978018 43.6648 6.55425 40.7081 10.1394 TIMING: 4970800 CPU: 14749.6, 0.00294561/step Wall: 14749.6, 0.00294561/step, 0.0238921 hours remaining, 209.371094 MB of memory in use. ENERGY: 4970800 728.3984 2140.0685 1906.2887 110.6166 -206381.1581 18036.7453 0.0000 0.0000 34071.2859 -149387.7547 297.5530 -183459.0405 -149292.8345 297.9773 161.3466 190.4456 557434.9439 6.1480 6.2666 PRESSURE: 4971000 -422.132 23.2201 37.5957 23.2211 -120.751 -122.697 37.5958 -122.697 -182.706 GPRESSURE: 4971000 -385.942 15.2126 97.8995 26.742 -102.809 -56.9085 78.2856 -214.977 -153.646 PRESSAVG: 4971000 -39.1027 -24.404 -1.38991 -24.404 -54.2059 33.3581 -1.38987 33.3581 51.4403 GPRESSAVG: 4971000 -39.6236 -25.6058 -1.35469 -25.6917 -54.0403 32.627 1.2754 34.2148 51.852 TIMING: 4971000 CPU: 14750.1, 0.00293717/step Wall: 14750.1, 0.00293717/step, 0.0236605 hours remaining, 209.371094 MB of memory in use. ENERGY: 4971000 718.0055 2118.3006 1925.2561 99.2915 -205772.5277 17442.3060 0.0000 0.0000 34196.9909 -149272.3770 298.6508 -183469.3679 -149178.5038 298.7349 -241.8632 -214.1323 558341.5721 -13.9561 -13.9373 PRESSURE: 4971200 127.318 61.7908 -132.1 61.7912 -139.03 -101.014 -132.099 -101.012 -174.513 GPRESSURE: 4971200 179.368 56.3681 -77.1623 52.6506 -145.37 -165.099 -114.242 -82.265 -136.207 PRESSAVG: 4971200 -7.95469 -3.56424 57.5224 -3.5643 -40.4688 -26.4267 57.5223 -26.4267 64.5581 GPRESSAVG: 4971200 -6.01105 -2.48961 58.4894 -2.52723 -42.3473 -27.5362 54.1188 -26.5731 64.8319 TIMING: 4971200 CPU: 14750.7, 0.00293928/step Wall: 14750.7, 0.00293928/step, 0.0235143 hours remaining, 209.371094 MB of memory in use. ENERGY: 4971200 721.2533 2116.8760 1907.0933 124.2008 -206060.3216 17512.9134 0.0000 0.0000 34458.7384 -149219.2465 300.9367 -183677.9849 -149118.5693 299.6557 -62.0750 -34.0697 556320.4963 5.3782 5.4912 PRESSURE: 4971400 33.4291 177.514 -124.129 177.513 -230.831 -2.17304 -124.129 -2.17088 35.9681 GPRESSURE: 4971400 82.0309 139.325 -64.2194 172.292 -226.676 7.98428 -171.338 -45.8333 82.3845 PRESSAVG: 4971400 46.9188 12.1714 -43.8778 12.1713 39.8861 4.60494 -43.8779 4.60501 -56.9116 GPRESSAVG: 4971400 45.7124 11.3614 -45.8703 12.5806 39.8631 7.37198 -39.8313 4.68181 -56.2862 TIMING: 4971400 CPU: 14751.3, 0.00293288/step Wall: 14751.3, 0.00293288/step, 0.0233001 hours remaining, 209.371094 MB of memory in use. ENERGY: 4971400 736.8778 2092.7482 1921.4192 114.0234 -205948.5978 17587.1361 0.0000 0.0000 34124.6843 -149371.7088 298.0194 -183496.3931 -149281.9819 298.4677 -53.8114 -20.7535 555687.9177 9.9644 9.7631 PRESSURE: 4971600 -49.8447 -90.1968 -88.3011 -90.1967 -169.719 181.774 -88.2998 181.774 31.8877 GPRESSURE: 4971600 -23.5143 -34.212 -87.8347 -160.292 -129.242 178.455 -97.8887 185.427 65.3874 PRESSAVG: 4971600 -29.1525 -56.0699 -78.7158 -56.0699 -29.63 -6.43058 -78.7157 -6.43055 69.5018 GPRESSAVG: 4971600 -30.204 -53.2865 -76.2434 -58.3147 -28.8873 -8.00758 -82.4479 -6.06019 69.6128 TIMING: 4971600 CPU: 14751.9, 0.00293324/step Wall: 14751.9, 0.00293324/step, 0.02314 hours remaining, 209.371094 MB of memory in use. ENERGY: 4971600 756.5950 2044.3274 1933.4491 121.6487 -206236.7610 17795.5543 0.0000 0.0000 34221.5073 -149363.6792 298.8649 -183585.1865 -149264.7718 297.9182 -62.5588 -29.1229 556846.1469 3.5731 3.5072 PRESSURE: 4971800 86.7978 201.926 11.342 201.926 -6.16894 126.907 11.3408 126.906 91.1188 GPRESSURE: 4971800 101.917 231.981 44.8036 226.911 96.9984 170.988 25.1731 -18.1799 70.3043 PRESSAVG: 4971800 81.2148 -55.6651 -22.0145 -55.665 -26.6867 -13.1327 -22.0146 -13.1326 -40.7414 GPRESSAVG: 4971800 81.815 -56.1773 -22.3965 -55.3485 -27.0774 -10.5992 -21.458 -14.6946 -40.57 TIMING: 4971800 CPU: 14752.5, 0.0029614/step Wall: 14752.5, 0.0029614/step, 0.0231976 hours remaining, 209.371094 MB of memory in use. ENERGY: 4971800 744.8213 2047.6805 1897.4060 109.2389 -206603.1965 17885.9774 0.0000 0.0000 34443.0056 -149475.0670 300.7993 -183918.0725 -149379.4019 298.6881 57.2492 89.7400 555949.2681 4.5956 4.7226 PRESSURE: 4972000 -204.937 -6.34208 -182.984 -6.34139 24.1028 17.1274 -182.983 17.1271 174.991 GPRESSURE: 4972000 -135.896 -38.7819 -67.3017 -17.8062 27.4003 -38.0404 -253.108 56.0954 195.119 PRESSAVG: 4972000 36.2323 -32.1354 -10.122 -32.1355 -1.64037 -38.5024 -10.1221 -38.5025 3.45894 GPRESSAVG: 4972000 36.1165 -33.9094 -9.64095 -32.2494 -1.96885 -38.4301 -10.538 -38.3533 4.21203 TIMING: 4972000 CPU: 14753.1, 0.00296879/step Wall: 14753.1, 0.00296879/step, 0.0230906 hours remaining, 209.371094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4972000 732.5166 2047.5371 1891.1031 96.2301 -206489.0121 17767.5789 0.0000 0.0000 34193.8171 -149760.2293 298.6231 -183954.0464 -149654.8781 298.5260 -1.9475 28.8744 556706.2113 12.6836 12.7866 PRESSURE: 4972200 -6.34042 40.2234 110.994 40.2205 -4.35446 -49.9595 110.994 -49.9601 -314.045 GPRESSURE: 4972200 30.226 55.9176 25.7752 12.1362 24.0203 -63.2298 152.071 -60.7835 -289.024 PRESSAVG: 4972200 -17.7314 -38.5616 23.8971 -38.5615 16.3114 -25.3427 23.897 -25.3427 38.0208 GPRESSAVG: 4972200 -17.4189 -37.3023 24.3618 -36.9918 16.3236 -26.9034 24.4163 -25.7749 37.4063 TIMING: 4972200 CPU: 14753.7, 0.0029411/step Wall: 14753.7, 0.0029411/step, 0.0227119 hours remaining, 209.371094 MB of memory in use. ENERGY: 4972200 750.2609 2053.1504 1918.7842 100.3827 -206265.9050 17625.4597 0.0000 0.0000 34234.5950 -149583.2720 298.9792 -183817.8671 -149489.4753 297.7755 -108.2465 -78.2591 557501.5572 12.2003 12.1037 LDB: ============= START OF LOAD BALANCING ============== 14757.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14757.2 LDB: =============== DONE WITH MIGRATION ================ 14757.2 LDB: ============= START OF LOAD BALANCING ============== 14757.5 LDB: Largest compute 4801 load 0.023076 is 19.5% of average load 0.118318 LDB: Average compute 0.001718 is 1.5% of average load 0.118318 LDB: TIME 14757.5 LOAD: AVG 0.118318 MAX 0.196473 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.539 MB LDB: TIME 14757.5 LOAD: AVG 0.118318 MAX 0.196473 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.609 MB LDB: TIME 14757.5 LOAD: AVG 0.118318 MAX 0.196473 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14757.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14757.5 PRESSURE: 4972400 -50.481 48.2241 -64.5671 48.2244 -97.7668 112.201 -64.5663 112.202 -153.691 GPRESSURE: 4972400 -82.8877 79.3804 -32.4743 10.982 -68.8292 48.2668 -105.389 105.005 -53.0216 PRESSAVG: 4972400 -25.5108 -66.6206 44.5585 -66.6207 32.8491 5.53035 44.5584 5.53032 -1.33072 GPRESSAVG: 4972400 -24.2036 -64.6535 45.6936 -67.1713 32.5885 6.70443 44.6274 5.78142 -2.06366 TIMING: 4972400 CPU: 14754.3, 0.00301154/step Wall: 14754.3, 0.00301154/step, 0.0230885 hours remaining, 208.609375 MB of memory in use. ENERGY: 4972400 761.6989 2051.6511 1924.9057 104.6282 -206207.1088 17769.8484 0.0000 0.0000 34127.4403 -149466.9361 298.0434 -183594.3765 -149373.8666 297.8747 -100.6464 -68.2462 557934.1155 2.0025 2.1071 PRESSURE: 4972600 -57.9205 -105.914 -17.6819 -105.914 34.7093 -19.7258 -17.6821 -19.7263 228.068 GPRESSURE: 4972600 -18.8597 -62.2126 67.678 -129.843 47.6278 40.3953 -124.863 21.2037 266.118 PRESSAVG: 4972600 -41.602 -12.0782 66.3084 -12.0782 -0.936629 4.3229 66.3083 4.32302 50.1727 GPRESSAVG: 4972600 -42.2515 -13.9362 65.1318 -12.8469 0.159146 3.09408 65.922 5.29068 50.1903 TIMING: 4972600 CPU: 14754.9, 0.00293379/step Wall: 14754.9, 0.00293379/step, 0.0223294 hours remaining, 208.812500 MB of memory in use. ENERGY: 4972600 732.9080 2063.2788 1941.1328 107.5835 -206276.3321 17934.3581 0.0000 0.0000 34080.0078 -149417.0632 297.6292 -183497.0710 -149317.6123 298.5636 68.2855 98.2954 558148.2131 2.5447 2.6993 PRESSURE: 4972800 -93.4734 48.8986 42.7633 48.8991 -319.041 93.9233 42.7612 93.9229 -135.065 GPRESSURE: 4972800 -75.4535 15.9633 -88.1984 77.7436 -265.924 -28.5912 124.007 109.751 -111.069 PRESSAVG: 4972800 58.229 -30.4834 27.3786 -30.4833 -70.8861 -6.57893 27.3785 -6.57902 1.70546 GPRESSAVG: 4972800 58.6017 -31.8868 26.8078 -28.3778 -72.1015 -6.67814 27.8739 -5.72732 2.34883 TIMING: 4972800 CPU: 14755.5, 0.00299402/step Wall: 14755.5, 0.00299402/step, 0.0226215 hours remaining, 208.812500 MB of memory in use. ENERGY: 4972800 755.5574 2062.0772 1948.3347 121.1020 -205905.7165 17647.9386 0.0000 0.0000 34071.5572 -149299.1493 297.5554 -183370.7065 -149200.2633 298.5103 -182.5267 -150.8154 558968.7770 -3.6505 -3.7170 PRESSURE: 4973000 18.3968 -112.496 -103.649 -112.497 -310.648 -45.1605 -103.648 -45.1599 20.4949 GPRESSURE: 4973000 133.853 -126.008 -115.122 -16.1506 -262.395 -59.2341 -104.477 -79.6102 -44.0269 PRESSAVG: 4973000 57.9851 -30.4706 -18.0002 -30.4706 -68.8335 24.7017 -18.0001 24.7017 13.3387 GPRESSAVG: 4973000 57.3467 -28.7813 -17.7586 -31.2642 -67.5444 23.7191 -18.1351 25.6627 13.0053 TIMING: 4973000 CPU: 14756.1, 0.00295318/step Wall: 14756.1, 0.00295318/step, 0.0221488 hours remaining, 208.812500 MB of memory in use. ENERGY: 4973000 728.1242 2036.0235 1902.9107 120.4026 -206187.4097 17855.1591 0.0000 0.0000 34109.8827 -149434.9068 297.8901 -183544.7896 -149337.1128 298.0613 -90.5854 -57.5228 559476.9867 0.8301 0.9359 PRESSURE: 4973200 314.529 -47.5798 -63.5578 -47.5793 72.2472 14.732 -63.5577 14.7327 141.877 GPRESSURE: 4973200 266.783 37.3981 -32.1448 -137.644 91.6337 54.2137 -56.5557 21.9405 255.779 PRESSAVG: 4973200 47.3183 27.2678 60.5593 27.2677 -8.30802 0.45279 60.5593 0.452652 -39.3465 GPRESSAVG: 4973200 47.7292 27.4416 60.5813 25.8778 -9.39522 2.05619 58.162 -2.11962 -38.5158 TIMING: 4973200 CPU: 14756.6, 0.00294083/step Wall: 14756.6, 0.00294083/step, 0.0218928 hours remaining, 208.812500 MB of memory in use. ENERGY: 4973200 700.5896 2018.2660 1935.4353 120.3046 -206498.5399 18194.7250 0.0000 0.0000 33906.7245 -149622.4949 296.1159 -183529.2194 -149526.0413 297.0375 176.2176 204.7322 558593.7139 -0.1121 -0.0606 PRESSURE: 4973400 -248.465 -18.672 -13.8149 -18.6735 -78.3811 -24.395 -13.8155 -24.395 66.9654 GPRESSURE: 4973400 -227.181 -43.6337 75.6021 -60.4747 -37.3136 4.77355 -121.282 7.41078 95.7178 PRESSAVG: 4973400 13.5255 -47.0127 -23.9901 -47.0127 4.87398 -15.5896 -23.9902 -15.5897 -23.0098 GPRESSAVG: 4973400 12.2177 -47.4538 -23.9738 -45.7178 5.38516 -14.842 -22.7053 -15.3201 -21.954 TIMING: 4973400 CPU: 14757.2, 0.00295046/step Wall: 14757.2, 0.00295046/step, 0.0218006 hours remaining, 208.812500 MB of memory in use. ENERGY: 4973400 715.9715 2086.1253 1904.4907 102.7608 -206068.2575 17730.7300 0.0000 0.0000 33852.7073 -149675.4720 295.6441 -183528.1793 -149580.4490 296.8092 -86.6268 -56.2590 558494.7978 -1.5368 -1.4504 PRESSURE: 4973600 -5.08333 -77.6017 -20.0689 -77.6004 115.47 -50.7418 -20.069 -50.7414 -66.3005 GPRESSURE: 4973600 67.6635 -94.2254 -43.3806 -103.964 67.733 -48.585 -111.222 -68.5526 9.671 PRESSAVG: 4973600 -9.63952 7.60996 26.7059 7.60988 50.4094 -14.4864 26.7058 -14.4864 -70.7448 GPRESSAVG: 4973600 -8.92178 7.26885 25.717 9.21805 51.1351 -15.8856 26.5301 -13.9152 -72.3868 TIMING: 4973600 CPU: 14757.8, 0.00294073/step Wall: 14757.8, 0.00294073/step, 0.0215654 hours remaining, 208.812500 MB of memory in use. ENERGY: 4973600 704.3589 2044.1985 1923.6079 115.7807 -206215.5733 17681.8642 0.0000 0.0000 34085.1678 -149660.5953 297.6742 -183745.7631 -149565.0614 297.5187 14.6952 48.3558 556739.8856 -9.9916 -10.0578 PRESSURE: 4973800 -258.769 7.81424 -56.4296 7.8135 58.9715 -49.3044 -56.4305 -49.3042 -181.907 GPRESSURE: 4973800 -241.328 -7.02094 -27.5718 3.33668 94.7871 -46.2211 -77.2734 4.12504 -144.701 PRESSAVG: 4973800 13.3504 -17.0898 23.6916 -17.0898 -5.76103 25.6712 23.6915 25.6712 15.1778 GPRESSAVG: 4973800 13.3774 -16.7661 23.3013 -18.5995 -6.5134 25.7129 23.4141 24.9518 15.9732 TIMING: 4973800 CPU: 14758.4, 0.00291906/step Wall: 14758.4, 0.00291906/step, 0.0212442 hours remaining, 208.812500 MB of memory in use. ENERGY: 4973800 727.9635 2029.6833 1917.9145 108.2358 -206216.0743 17697.8896 0.0000 0.0000 34177.0097 -149557.3778 298.4763 -183734.3876 -149462.3162 298.4463 -127.2350 -97.0804 557275.4652 7.5891 7.6124 PRESSURE: 4974000 -99.989 -26.4868 -165.196 -26.4873 -56.2362 -101.709 -165.196 -101.707 193.851 GPRESSURE: 4974000 -34.3141 -43.0124 -203.118 59.2789 -67.9052 -30.6498 -68.4274 -32.0872 232.376 PRESSAVG: 4974000 -29.4084 -27.1397 11.84 -27.1397 -0.373834 -16.0619 11.8399 -16.062 9.28019 GPRESSAVG: 4974000 -29.0489 -26.798 12.8747 -24.6366 -0.74112 -16.0346 12.1748 -15.9176 9.50372 TIMING: 4974000 CPU: 14759, 0.00296602/step Wall: 14759, 0.00296602/step, 0.0214212 hours remaining, 208.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4974000 749.7859 2084.3743 1913.2033 115.7643 -206416.9498 17905.8287 0.0000 0.0000 34106.3542 -149541.6391 297.8593 -183647.9933 -149447.7429 299.0983 12.5420 43.3854 557396.4140 -6.8340 -6.7621 PRESSURE: 4974200 101.029 12.0774 81.1382 12.0771 -31.8352 33.0926 81.1377 33.0934 -106.638 GPRESSURE: 4974200 161.515 -78.6757 91.5314 59.9545 -36.917 100.373 -11.9671 -69.7578 -83.2669 PRESSAVG: 4974200 59.2865 -13.2099 -16.1982 -13.2098 -18.0189 -36.0362 -16.1983 -36.0362 -77.2504 GPRESSAVG: 4974200 61.2808 -12.2001 -15.3796 -16.9018 -18.6623 -34.9961 -18.4402 -36.0183 -78.1786 TIMING: 4974200 CPU: 14759.6, 0.00297324/step Wall: 14759.6, 0.00297324/step, 0.0213082 hours remaining, 208.812500 MB of memory in use. ENERGY: 4974200 759.7758 2078.1610 1923.3884 113.3709 -206704.1398 17853.7709 0.0000 0.0000 34483.9627 -149491.7102 301.1570 -183975.6729 -149394.6858 298.1978 -12.4814 13.7771 555595.3997 -11.9943 -11.8534 PRESSURE: 4974400 -282.203 1.52511 64.4227 1.52585 -174.811 -5.2202 64.4221 -5.2184 -45.4974 GPRESSURE: 4974400 -251.588 99.3714 89.4506 31.5821 -138.182 -29.898 -32.6605 -105.363 -26.7958 PRESSAVG: 4974400 13.3222 2.88977 -18.1965 2.88982 32.7785 46.3462 -18.1964 46.3463 -47.2085 GPRESSAVG: 4974400 11.7609 3.88358 -21.5738 3.28402 33.6293 45.3669 -14.6696 47.1961 -46.1301 TIMING: 4974400 CPU: 14760.2, 0.00292505/step Wall: 14760.2, 0.00292505/step, 0.0208004 hours remaining, 208.812500 MB of memory in use. ENERGY: 4974400 745.6778 2084.9255 1929.5182 104.4199 -206320.3796 17664.3994 0.0000 0.0000 34373.5658 -149417.8729 300.1929 -183791.4387 -149328.9295 298.4415 -167.5039 -138.8552 554883.4028 -0.3693 -0.2466 PRESSURE: 4974600 -18.5224 -39.979 -184.715 -39.981 -136.421 -12.2369 -184.714 -12.2363 40.6961 GPRESSURE: 4974600 -24.033 -22.9473 -197.543 -46.1201 -105.934 -31.5948 -180.856 -31.4591 113.87 PRESSAVG: 4974600 3.75786 -40.5926 -20.4456 -40.5926 33.368 48.5426 -20.4455 48.5426 -42.9442 GPRESSAVG: 4974600 4.48457 -40.9629 -18.4013 -40.4896 33.6822 50.2512 -22.0468 46.9557 -43.056 TIMING: 4974600 CPU: 14760.8, 0.00296115/step Wall: 14760.8, 0.00296115/step, 0.0208926 hours remaining, 208.812500 MB of memory in use. ENERGY: 4974600 729.3916 2075.8734 1920.7679 113.3090 -206026.7956 17659.4296 0.0000 0.0000 34275.8035 -149252.2206 299.3391 -183528.0241 -149162.7318 299.3004 -38.0825 -5.3655 556194.2399 -1.9394 -1.6297 PRESSURE: 4974800 294.789 -124.299 216.009 -124.3 -14.7711 74.7106 216.008 74.7108 377.554 GPRESSURE: 4974800 317.908 -168.606 254.192 -160.506 1.23891 121.907 167.967 111.228 419.216 PRESSAVG: 4974800 54.1933 -57.0354 -31.3548 -57.0354 5.66533 6.24864 -31.3549 6.24848 17.7437 GPRESSAVG: 4974800 52.9586 -58.274 -29.7386 -55.6521 6.88165 7.57447 -31.741 6.47386 17.6116 TIMING: 4974800 CPU: 14761.4, 0.0029641/step Wall: 14761.4, 0.0029641/step, 0.0207487 hours remaining, 208.812500 MB of memory in use. ENERGY: 4974800 745.6339 2160.0338 1938.2164 102.8430 -206612.0366 18099.6837 0.0000 0.0000 34449.5416 -149116.0841 300.8564 -183565.6258 -149022.5218 299.2370 219.1907 246.1212 554764.8943 25.8675 25.8173 PRESSURE: 4975000 -86.4771 102.947 47.8645 102.946 79.5944 -65.9476 47.8647 -65.9491 174.391 GPRESSURE: 4975000 -24.0578 161.325 52.038 42.4302 118.147 -101.557 51.6747 8.41044 165.54 PRESSAVG: 4975000 -23.3105 25.1968 -5.61278 25.1967 -11.8833 31.9428 -5.6128 31.9428 65.7715 GPRESSAVG: 4975000 -22.3351 26.411 -8.80697 23.1986 -12.4905 30.3195 -4.51376 33.0789 65.7771 TIMING: 4975000 CPU: 14762, 0.00295654/step Wall: 14762, 0.00295654/step, 0.0205315 hours remaining, 208.812500 MB of memory in use. ENERGY: 4975000 741.6093 2109.0357 1922.9152 113.6684 -206151.7297 17672.5099 0.0000 0.0000 34425.3942 -149166.5969 300.6455 -183591.9912 -149073.6775 300.1050 55.8363 86.5430 556186.2761 10.1926 10.3172 PRESSURE: 4975200 139.259 -98.4674 115.022 -98.4664 -21.9491 -177.615 115.022 -177.615 136.78 GPRESSURE: 4975200 167.3 -234.154 132.658 -46.3446 12.2766 -191.747 104.469 -212.229 170.718 PRESSAVG: 4975200 -19.2352 -50.5616 -55.3272 -50.5615 -14.8295 15.6352 -55.3272 15.6352 51.3147 GPRESSAVG: 4975200 -19.2428 -50.0321 -52.9031 -51.7962 -14.7126 15.7311 -55.019 15.3 51.2081 TIMING: 4975200 CPU: 14762.5, 0.00297258/step Wall: 14762.5, 0.00297258/step, 0.0204777 hours remaining, 208.812500 MB of memory in use. ENERGY: 4975200 773.2218 2119.9233 1919.3372 114.5456 -206004.5271 17701.8120 0.0000 0.0000 34410.0320 -148965.6552 300.5114 -183375.6872 -148873.8236 300.1918 84.6969 116.7647 556199.6326 5.7500 5.7509 PRESSURE: 4975400 265.838 -32.6543 -59.4996 -32.6541 1.0196 -126.491 -59.4998 -126.492 -159.413 GPRESSURE: 4975400 298.021 39.7612 -86.9986 -10.7133 3.29806 -105.382 -19.7596 -50.2475 -98.2256 PRESSAVG: 4975400 44.1851 -35.1235 -23.4964 -35.1235 -24.5956 -21.6688 -23.4964 -21.6687 -1.98383 GPRESSAVG: 4975400 43.6267 -36.2003 -22.396 -33.8847 -25.2614 -23.2693 -24.1798 -19.353 -0.5548 TIMING: 4975400 CPU: 14763.1, 0.00295235/step Wall: 14763.1, 0.00295235/step, 0.0201744 hours remaining, 208.812500 MB of memory in use. ENERGY: 4975400 734.8037 2090.1424 1906.5355 108.0598 -205887.9608 17700.7861 0.0000 0.0000 34359.0066 -148988.6269 300.0658 -183347.6335 -148893.7472 300.2529 35.8148 67.6979 557795.9273 5.8686 5.9368 PRESSURE: 4975600 112.335 -87.8192 -48.3825 -87.8189 164.26 130.327 -48.3824 130.328 117.546 GPRESSURE: 4975600 150.595 -124.643 42.2769 -60.7413 198.844 157.232 -98.7478 140.601 144.337 PRESSAVG: 4975600 61.1654 -7.27956 -36.3695 -7.27948 -2.85236 -26.4694 -36.3695 -26.4694 -65.2592 GPRESSAVG: 4975600 61.2319 -7.84805 -38.3019 -6.3406 -2.54926 -26.8582 -34.9865 -28.2779 -65.6244 TIMING: 4975600 CPU: 14763.7, 0.00293563/step Wall: 14763.7, 0.00293563/step, 0.0198971 hours remaining, 208.812500 MB of memory in use. ENERGY: 4975600 732.5425 2052.2969 1943.9981 111.2428 -206105.9803 17912.2421 0.0000 0.0000 34399.9947 -148953.6633 300.4237 -183353.6579 -148857.8803 300.2877 131.3804 164.5917 556613.0577 -2.3154 -2.3139 PRESSURE: 4975800 291.867 -35.7854 -86.6283 -35.7861 22.4534 70.3254 -86.6292 70.3257 142.911 GPRESSURE: 4975800 304.281 49.4172 -11.1235 -92.4618 75.8193 110.775 -95.142 148.534 173.069 PRESSAVG: 4975800 -58.4192 -18.3178 -29.9807 -18.3177 46.7588 -57.2761 -29.9807 -57.276 11.8869 GPRESSAVG: 4975800 -57.0354 -16.7436 -29.4053 -19.5694 46.1525 -56.6599 -30.4884 -57.3871 11.6032 TIMING: 4975800 CPU: 14764.3, 0.00293633/step Wall: 14764.3, 0.00293633/step, 0.0197386 hours remaining, 208.812500 MB of memory in use. ENERGY: 4975800 775.9496 2087.9336 1943.6373 117.8704 -206278.8645 18079.2681 0.0000 0.0000 34018.6954 -149255.5102 297.0937 -183274.2056 -149162.2807 299.5813 152.4105 184.3899 557229.2140 0.0755 0.2401 PRESSURE: 4976000 -62.8814 -71.8991 -65.9879 -71.8993 -54.5567 93.4684 -65.9879 93.4673 114.89 GPRESSURE: 4976000 1.3928 -136.253 -53.3661 -64.0497 -19.3403 86.8168 -59.7331 88.6644 116.776 PRESSAVG: 4976000 2.42512 -52.7665 -35.9632 -52.7664 8.69784 34.144 -35.963 34.1441 -36.3355 GPRESSAVG: 4976000 1.54893 -54.1895 -35.3907 -52.7376 8.63362 33.6555 -37.8312 36.0873 -35.7484 TIMING: 4976000 CPU: 14764.9, 0.00293608/step Wall: 14764.9, 0.00293608/step, 0.0195739 hours remaining, 208.812500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4976000 734.0143 2104.8269 1935.4178 123.1492 -206426.8124 17703.6857 0.0000 0.0000 34342.1951 -149483.5233 299.9189 -183825.7185 -149382.5790 299.3915 -0.8494 32.9429 556642.1008 -8.4042 -8.5219 PRESSURE: 4976200 -53.2651 48.3921 -90.0928 48.3929 -299.459 -50.2145 -90.0921 -50.2139 -129.231 GPRESSURE: 4976200 60.0506 90.9754 -50.5989 48.6298 -321.959 -7.03538 -83.2426 -57.2957 -108.975 PRESSAVG: 4976200 -9.79399 -10.6962 -52.2141 -10.6963 12.321 -40.3314 -52.2142 -40.3314 -20.5556 GPRESSAVG: 4976200 -10.4709 -11.2258 -51.8264 -9.68353 12.7142 -38.6674 -50.4887 -44.0493 -20.2077 TIMING: 4976200 CPU: 14765.5, 0.00293933/step Wall: 14765.5, 0.00293933/step, 0.0194323 hours remaining, 208.812500 MB of memory in use. ENERGY: 4976200 743.8154 2126.0404 1931.1032 117.1926 -206297.5267 17748.6311 0.0000 0.0000 34128.4616 -149502.2824 298.0523 -183630.7440 -149409.5637 298.7512 -160.6515 -123.6279 559002.4452 -6.0095 -5.9881 LDB: ============= START OF LOAD BALANCING ============== 14769 LDB: ============== END OF LOAD BALANCING =============== 14769 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14769 LDB: ============= START OF LOAD BALANCING ============== 14769.3 LDB: Largest compute 4801 load 0.022686 is 19.2% of average load 0.118309 LDB: Average compute 0.001722 is 1.5% of average load 0.118309 LDB: TIME 14769.3 LOAD: AVG 0.118309 MAX 0.19433 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.484 MB LDB: TIME 14769.3 LOAD: AVG 0.118309 MAX 0.19433 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.484 MB LDB: TIME 14769.3 LOAD: AVG 0.118309 MAX 0.19433 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14769.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14769.3 PRESSURE: 4976400 -129.516 -141.078 -52.2656 -141.078 -174.555 54.626 -52.2662 54.6235 -2.1359 GPRESSURE: 4976400 -50.8412 -149.632 -31.1243 -156.615 -158.94 77.8174 -71.9026 -60.0183 -24.4038 PRESSAVG: 4976400 35.4773 -5.40287 -9.56507 -5.40288 -18.2357 -29.3632 -9.56497 -29.3632 4.78104 GPRESSAVG: 4976400 35.9773 -7.24152 -8.10315 -5.46627 -17.8689 -29.8075 -9.1657 -28.7191 4.37973 TIMING: 4976400 CPU: 14766.1, 0.00298281/step Wall: 14766.1, 0.00298281/step, 0.019554 hours remaining, 210.859375 MB of memory in use. ENERGY: 4976400 765.4387 2163.5134 1918.1968 107.2508 -206135.9861 17533.1568 0.0000 0.0000 34234.5925 -149413.8371 298.9792 -183648.4296 -149316.5573 299.1384 -102.0689 -78.0615 557697.1311 7.3409 7.4960 PRESSURE: 4976600 -258.432 -40.4511 -36.868 -40.4495 -317.253 -120.021 -36.8688 -120.021 -227.434 GPRESSURE: 4976600 -255.239 -69.0124 -11.4321 -22.7031 -319.015 -88.2248 -60.8606 -178.893 -138.979 PRESSAVG: 4976600 3.97368 67.5592 26.3265 67.5592 -7.02656 -16.4729 26.3266 -16.473 -26.3335 GPRESSAVG: 4976600 4.10066 69.7269 24.499 67.1312 -6.73691 -15.4282 25.1303 -17.4324 -26.7277 TIMING: 4976600 CPU: 14766.7, 0.00289894/step Wall: 14766.7, 0.00289894/step, 0.0188431 hours remaining, 210.859375 MB of memory in use. ENERGY: 4976600 771.7928 2141.3970 1947.6309 107.6881 -206428.8022 17696.6060 0.0000 0.0000 34411.1978 -149352.4896 300.5215 -183763.6874 -149252.6538 298.2076 -267.7061 -237.7445 559634.0145 -9.7955 -9.7880 PRESSURE: 4976800 133.236 71.6464 -63.1279 71.6453 -186.316 -143.854 -63.1285 -143.852 -334.713 GPRESSURE: 4976800 171.882 67.617 10.4758 114.532 -153.579 -166.583 -59.3487 -142.584 -305.763 PRESSAVG: 4976800 -16.7018 51.5615 -10.2579 51.5615 -2.77357 -21.2191 -10.2578 -21.219 -28.7276 GPRESSAVG: 4976800 -16.0602 49.2867 -8.22934 51.46 -3.49962 -23.3392 -10.1168 -18.3718 -28.2013 TIMING: 4976800 CPU: 14767.2, 0.00291164/step Wall: 14767.2, 0.00291164/step, 0.0187639 hours remaining, 210.859375 MB of memory in use. ENERGY: 4976800 755.2556 2118.5004 1940.3167 116.5051 -206287.5835 17856.9405 0.0000 0.0000 34031.1912 -149468.8741 297.2029 -183500.0653 -149375.5329 299.5981 -129.2642 -95.8200 558175.4416 -16.0676 -15.9204 PRESSURE: 4977000 229.48 -13.9286 101.369 -13.9293 -222.304 157.477 101.369 157.478 117.975 GPRESSURE: 4977000 239.857 -64.0038 115.428 -46.7506 -144.34 115.72 77.493 206.79 135.166 PRESSAVG: 4977000 110.102 -17.7951 41.2994 -17.7951 -55.5052 -10.9721 41.2993 -10.9719 -19.8307 GPRESSAVG: 4977000 109.728 -14.8111 39.6192 -18.1016 -54.3841 -10.7866 40.3385 -10.8402 -20.5467 TIMING: 4977000 CPU: 14767.8, 0.00294814/step Wall: 14767.8, 0.00294814/step, 0.0188354 hours remaining, 210.859375 MB of memory in use. ENERGY: 4977000 740.7233 2114.7333 1949.3770 111.9395 -206712.5760 18090.9377 0.0000 0.0000 34232.8437 -149472.0214 298.9639 -183704.8651 -149379.4903 298.7263 41.7169 76.8944 557501.4409 11.5888 11.5991 PRESSURE: 4977200 -228.735 -110.444 -45.8061 -110.444 86.7099 171.483 -45.8048 171.482 -10.9112 GPRESSURE: 4977200 -145.531 -91.5262 97.3841 -109.293 102.039 221.021 -95.5283 154.685 -9.87044 PRESSAVG: 4977200 -23.7646 19.639 14.3782 19.6389 -22.2179 27.4706 14.3781 27.4707 26.2392 GPRESSAVG: 4977200 -23.5285 20.0018 15.5715 19.6649 -22.0499 26.9191 15.1381 27.5427 25.9335 TIMING: 4977200 CPU: 14768.4, 0.00297363/step Wall: 14768.4, 0.00297363/step, 0.018833 hours remaining, 210.859375 MB of memory in use. ENERGY: 4977200 744.4562 2139.1769 1898.3532 113.7875 -206215.3379 17716.6854 0.0000 0.0000 34321.3414 -149281.5373 299.7368 -183602.8787 -149186.5266 298.1998 -50.9786 -17.7875 557790.4330 -6.5811 -6.5483 PRESSURE: 4977400 260.31 -137.667 45.4954 -137.668 208.505 -243.247 45.4955 -243.248 -12.7531 GPRESSURE: 4977400 259.851 -104.899 91.2806 -122.461 247.533 -199.46 4.95694 -191.119 39.4085 PRESSAVG: 4977400 18.2666 26.1427 -31.9929 26.1426 -18.6832 -1.24619 -31.9929 -1.24613 15.6718 GPRESSAVG: 4977400 17.5101 24.6276 -33.7371 25.9365 -18.6902 -0.0803268 -29.1459 -0.510116 16.5156 TIMING: 4977400 CPU: 14769, 0.0029551/step Wall: 14769, 0.0029551/step, 0.0185515 hours remaining, 210.859375 MB of memory in use. ENERGY: 4977400 763.6925 2097.3551 1918.9836 114.6290 -206246.8662 18034.6167 0.0000 0.0000 34133.2956 -149184.2936 298.0946 -183317.5892 -149091.2334 299.0391 152.0206 182.2640 557493.6554 5.0851 5.1119 PRESSURE: 4977600 312.645 78.2922 138.647 78.2927 475.229 -134.98 138.647 -134.981 -27.3903 GPRESSURE: 4977600 339.83 118.617 56.1561 166.304 529.043 13.1116 202.274 -185.922 -12.7593 PRESSAVG: 4977600 0.935077 35.0019 45.4332 35.0019 64.8058 -54.22 45.4333 -54.2201 -51.847 GPRESSAVG: 4977600 1.81928 36.0849 43.1098 34.9504 63.7295 -53.4198 44.439 -54.9619 -51.8714 TIMING: 4977600 CPU: 14769.6, 0.00295062/step Wall: 14769.6, 0.00295062/step, 0.0183594 hours remaining, 210.859375 MB of memory in use. ENERGY: 4977600 766.0389 1997.6124 1932.0028 104.3290 -206670.9761 18341.0315 0.0000 0.0000 34302.8660 -149227.0956 299.5755 -183529.9615 -149130.5840 298.6913 253.4945 285.3711 556800.7547 4.6313 4.5591 PRESSURE: 4977800 -13.7476 -189.016 -108.377 -189.016 -1.4483 -55.2089 -108.377 -55.2105 -110.209 GPRESSURE: 4977800 71.2672 -103.757 -106.265 -121.842 15.5092 -92.1109 -101.516 46.7333 -117.751 PRESSAVG: 4977800 -47.2066 19.6824 4.69052 19.6824 80.1966 -28.0763 4.6905 -28.0762 -10.3454 GPRESSAVG: 4977800 -47.1514 19.1191 7.15267 20.4924 80.4569 -28.4531 3.46442 -30.6658 -10.3166 TIMING: 4977800 CPU: 14770.2, 0.00293012/step Wall: 14770.2, 0.00293012/step, 0.0180691 hours remaining, 210.859375 MB of memory in use. ENERGY: 4977800 758.6605 2044.4937 1928.2228 122.8023 -206124.5492 17693.8887 0.0000 0.0000 34287.6333 -149288.8479 299.4424 -183576.4811 -149188.1702 298.3966 -41.8017 -10.3249 556655.8034 7.5482 7.6630 PRESSURE: 4978000 -7.03725 -22.4594 42.2048 -22.4599 -171.876 41.1527 42.206 41.1535 -338.949 GPRESSURE: 4978000 6.4942 40.4858 77.0444 -59.6596 -139.672 30.4956 -73.5139 155.956 -282.123 PRESSAVG: 4978000 32.0353 -10.251 3.59685 -10.251 -10.8529 44.0648 3.5969 44.0648 7.0594 GPRESSAVG: 4978000 31.0303 -10.9672 5.48186 -10.873 -9.33173 44.1097 3.07251 44.7486 6.23855 TIMING: 4978000 CPU: 14770.8, 0.00296838/step Wall: 14770.8, 0.00296838/step, 0.0181401 hours remaining, 210.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4978000 751.9596 2153.3060 1938.6439 115.3138 -206018.0020 17470.1012 0.0000 0.0000 34286.2656 -149302.4117 299.4305 -183588.6774 -149202.1866 299.2191 -172.6208 -138.4336 557908.6099 9.4139 9.3124 PRESSURE: 4978200 99.171 13.9884 -46.6134 13.9878 -122.14 102.904 -46.6133 102.902 -32.433 GPRESSURE: 4978200 172.46 51.2499 -0.855075 25.5037 -57.8944 74.1084 -82.551 194.564 -71.6097 PRESSAVG: 4978200 -10.9182 14.5788 59.5062 14.5786 -10.5705 14.2029 59.5062 14.2029 1.33205 GPRESSAVG: 4978200 -9.92366 15.8114 59.4426 16.3109 -11.1796 14.5883 58.2262 13.799 0.590594 TIMING: 4978200 CPU: 14771.4, 0.00295522/step Wall: 14771.4, 0.00295522/step, 0.0178955 hours remaining, 210.859375 MB of memory in use. ENERGY: 4978200 769.3247 2100.1659 1908.3950 117.5273 -206536.0434 17940.5773 0.0000 0.0000 34326.3127 -149373.7405 299.7802 -183700.0532 -149277.2987 298.2978 -18.4674 14.3185 557649.1931 -6.7189 -6.8376 PRESSURE: 4978400 -328.064 -33.9923 -51.1179 -33.9927 -135.335 89.5216 -51.1176 89.5214 0.809869 GPRESSURE: 4978400 -265.326 -94.656 -98.3182 -82.6548 -64.9519 114.898 -18.8008 -44.9688 -34.382 PRESSAVG: 4978400 -4.29733 4.61387 29.7756 4.61399 -14.8989 35.6129 29.7756 35.6129 -6.97778 GPRESSAVG: 4978400 -4.24086 3.59592 27.4812 3.25347 -16.3015 35.3129 31.6521 36.5551 -5.84098 TIMING: 4978400 CPU: 14772, 0.00296216/step Wall: 14772, 0.00296216/step, 0.017773 hours remaining, 210.859375 MB of memory in use. ENERGY: 4978400 760.6495 2055.5844 1943.3595 120.3083 -206250.6762 17839.8958 0.0000 0.0000 34169.7550 -149361.1236 298.4130 -183530.8786 -149267.5446 298.8026 -154.1963 -121.5533 559845.1085 -8.7247 -8.7945 PRESSURE: 4978600 306.422 -52.9373 45.3316 -52.9369 162.135 20.3116 45.3322 20.3137 -151.651 GPRESSURE: 4978600 328.469 -45.8329 90.178 -55.2792 218.376 23.5655 40.7716 6.58219 -127.265 PRESSAVG: 4978600 -14.4297 -55.3945 68.6016 -55.3945 52.1226 11.3528 68.6016 11.3528 -62.1858 GPRESSAVG: 4978600 -15.0818 -54.7282 68.3152 -55.8468 53.4756 11.3322 68.1197 10.9919 -62.552 TIMING: 4978600 CPU: 14772.6, 0.0029814/step Wall: 14772.6, 0.0029814/step, 0.0177228 hours remaining, 210.859375 MB of memory in use. ENERGY: 4978600 714.2701 2049.7342 1931.2699 117.4318 -206557.1791 18079.3677 0.0000 0.0000 34324.6465 -149340.4589 299.7657 -183665.1054 -149245.1875 298.9008 105.6357 139.8599 558196.5312 -8.1643 -8.0528 PRESSURE: 4978800 121.093 -180.214 17.3505 -180.214 -75.1504 -48.5136 17.3502 -48.5137 159.169 GPRESSURE: 4978800 156.829 -213.405 12.8358 -112.401 -39.0278 -49.2131 3.74382 -77.0045 180.828 PRESSAVG: 4978800 -61.572 18.4171 -41.1284 18.417 28.8259 31.0357 -41.1284 31.0357 6.94779 GPRESSAVG: 4978800 -60.4989 19.1578 -40.5623 17.441 27.3396 30.1175 -41.3816 32.8433 6.6149 TIMING: 4978800 CPU: 14773.2, 0.002946/step Wall: 14773.2, 0.002946/step, 0.0173487 hours remaining, 210.859375 MB of memory in use. ENERGY: 4978800 736.3725 2101.7869 1938.5848 118.0500 -206389.9441 17995.2782 0.0000 0.0000 34380.8939 -149118.9779 300.2569 -183499.8718 -149026.1433 298.9572 68.3704 99.5432 557685.2070 -8.5994 -8.8481 PRESSURE: 4979000 56.1174 -116.24 -163.722 -116.242 96.7343 -43.5299 -163.723 -43.5303 38.933 GPRESSURE: 4979000 44.8896 -134.456 -135.788 -34.8022 220.066 53.49 -122.154 -25.8414 40.053 PRESSAVG: 4979000 -59.1398 6.09212 23.2264 6.09207 93.4026 -28.9145 23.2264 -28.9144 26.6136 GPRESSAVG: 4979000 -60.4155 4.59886 23.0581 8.58827 94.4632 -28.4806 22.6322 -28.718 26.9 TIMING: 4979000 CPU: 14773.8, 0.00294545/step Wall: 14773.8, 0.00294545/step, 0.0171818 hours remaining, 210.859375 MB of memory in use. ENERGY: 4979000 748.8960 2062.4267 1935.2282 106.7459 -206049.8485 17832.6510 0.0000 0.0000 34213.2184 -149150.6824 298.7925 -183363.9007 -149055.6370 299.7953 63.9282 101.6694 557446.7176 20.2921 20.3159 PRESSURE: 4979200 288.263 -20.803 -69.5061 -20.8032 189.372 -136.053 -69.5078 -136.052 -311.737 GPRESSURE: 4979200 300.144 -125.282 -113.66 148.974 249.348 -81.1501 -20.103 -159.89 -288.286 PRESSAVG: 4979200 10.3715 3.90474 -2.83818 3.9048 4.80152 -25.6225 -2.83808 -25.6225 -24.7372 GPRESSAVG: 4979200 11.7664 6.09538 -3.2152 3.48632 3.51756 -24.8743 -2.63488 -27.9497 -24.9396 TIMING: 4979200 CPU: 14774.3, 0.00289929/step Wall: 14774.3, 0.00289929/step, 0.0167515 hours remaining, 210.859375 MB of memory in use. ENERGY: 4979200 711.5215 2026.3133 1938.0755 109.5684 -205808.4098 17761.8795 0.0000 0.0000 34153.6813 -149107.3703 298.2726 -183261.0516 -149008.8970 299.1167 55.2994 87.0686 558126.9983 -3.1881 -3.2185 PRESSURE: 4979400 69.6423 41.1849 -87.4165 41.1837 -12.1045 91.3257 -87.4155 91.3261 -64.4159 GPRESSURE: 4979400 81.4272 4.78029 -62.9794 80.2322 27.584 74.8496 -89.7974 159.805 -33.9438 PRESSAVG: 4979400 -47.1342 59.338 -35.8181 59.338 124.853 -9.05039 -35.8181 -9.05029 -10.6522 GPRESSAVG: 4979400 -47.38 59.1299 -36.7607 57.8722 124.615 -9.91979 -34.1177 -6.33436 -10.4977 TIMING: 4979400 CPU: 14774.9, 0.00292789/step Wall: 14774.9, 0.00292789/step, 0.0167541 hours remaining, 210.859375 MB of memory in use. ENERGY: 4979400 738.8485 2102.6695 1896.0737 115.1971 -206112.0940 17913.3623 0.0000 0.0000 34308.1572 -149037.7857 299.6217 -183345.9429 -148940.5853 299.0264 -2.2927 25.0225 558631.0038 22.3554 22.2459 PRESSURE: 4979600 7.4649 5.23171 71.8336 5.2326 89.1147 -139.096 71.8339 -139.097 -199.303 GPRESSURE: 4979600 0.215154 2.70687 62.8378 -37.3165 140.171 -116.533 56.0226 -69.4648 -146.973 PRESSAVG: 4979600 -114.487 -13.8603 -2.14463 -13.8602 70.2248 40.7405 -2.1447 40.7405 -1.43517 GPRESSAVG: 4979600 -115.505 -13.1567 -1.33254 -13.0919 70.7221 40.991 -4.23502 42.4952 -0.801504 TIMING: 4979600 CPU: 14775.5, 0.0029341/step Wall: 14775.5, 0.0029341/step, 0.0166265 hours remaining, 210.859375 MB of memory in use. ENERGY: 4979600 726.7479 2087.6718 1923.9657 108.1210 -206077.8176 17673.8510 0.0000 0.0000 34486.9594 -149070.5007 301.1832 -183557.4602 -148970.2673 299.9651 -34.2410 -2.1954 558086.7240 -15.2324 -15.1949 PRESSURE: 4979800 38.2355 -142.395 -15.4351 -142.393 -169.2 -35.6703 -15.4346 -35.6718 101.213 GPRESSURE: 4979800 66.5784 -120.201 -73.4498 -131.767 -84.1846 -19.3998 37.0563 -52.1275 97.0648 PRESSAVG: 4979800 29.3984 -24.6736 -35.3459 -24.6736 76.939 -17.6226 -35.3459 -17.6229 -98.5265 GPRESSAVG: 4979800 28.0766 -26.182 -33.8624 -24.0016 77.7914 -19.4191 -35.5614 -18.9551 -98.5064 TIMING: 4979800 CPU: 14776.1, 0.00294665/step Wall: 14776.1, 0.00294665/step, 0.016534 hours remaining, 210.859375 MB of memory in use. ENERGY: 4979800 757.1118 2099.8933 1934.0010 109.0949 -206085.7086 17836.3141 0.0000 0.0000 34222.1438 -149127.1497 298.8705 -183349.2935 -149030.0964 300.0365 -9.9173 26.4862 556840.9091 2.6037 2.4539 PRESSURE: 4980000 461.305 92.7815 -55.5653 92.7802 201.146 55.9661 -55.5654 55.966 -79.6434 GPRESSURE: 4980000 465.661 98.4735 -8.86446 -8.18113 240.871 51.5069 -163.412 49.8499 -22.0779 PRESSAVG: 4980000 43.7042 21.2545 -0.824844 21.2546 35.5964 -13.7485 -0.824775 -13.7484 -43.0933 GPRESSAVG: 4980000 45.7063 21.3321 -4.9884 20.9687 34.0854 -12.7712 -0.214973 -14.5327 -43.5669 TIMING: 4980000 CPU: 14776.7, 0.00291493/step Wall: 14776.7, 0.00291493/step, 0.0161941 hours remaining, 210.859375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4980000 734.5290 2062.5121 1928.8963 113.5428 -206373.0495 17984.7887 0.0000 0.0000 34450.0449 -149098.7356 300.8608 -183548.7805 -148999.0243 300.0494 194.2692 228.1512 556969.1996 12.0691 12.0749 PRESSURE: 4980200 -331.348 52.9456 -66.8688 52.9459 -370.203 41.1791 -66.8678 41.1786 -302.147 GPRESSURE: 4980200 -278.772 87.3919 -34.4654 2.49489 -341.592 -5.62294 -144.155 -8.01129 -297.783 PRESSAVG: 4980200 4.22167 0.711917 17.8361 0.71191 -17.7316 -17.902 17.8362 -17.9019 13.0999 GPRESSAVG: 4980200 2.90298 0.343833 20.1439 0.241425 -17.2242 -17.0394 17.4084 -18.0266 14.2469 TIMING: 4980200 CPU: 14777.3, 0.00292502/step Wall: 14777.3, 0.00292502/step, 0.0160876 hours remaining, 210.859375 MB of memory in use. ENERGY: 4980200 715.1976 2099.3570 1948.0780 98.7430 -205892.5699 17338.8611 0.0000 0.0000 34455.4341 -149236.8991 300.9079 -183692.3332 -149136.7289 299.6603 -334.5660 -306.0489 558110.9600 -0.1367 -0.0248 LDB: ============= START OF LOAD BALANCING ============== 14780.8 LDB: ============== END OF LOAD BALANCING =============== 14780.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14780.8 LDB: ============= START OF LOAD BALANCING ============== 14781.1 LDB: Largest compute 4801 load 0.023008 is 19.5% of average load 0.118291 LDB: Average compute 0.001719 is 1.5% of average load 0.118291 LDB: TIME 14781.1 LOAD: AVG 0.118291 MAX 0.195298 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.484 MB LDB: TIME 14781.1 LOAD: AVG 0.118291 MAX 0.195298 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.688 MB LDB: TIME 14781.1 LOAD: AVG 0.118291 MAX 0.195298 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.688 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14781.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14781.1 PRESSURE: 4980400 58.0663 -16.2056 20.0084 -16.2045 -88.6885 83.7202 20.0076 83.719 37.6964 GPRESSURE: 4980400 32.8124 -2.14338 79.6646 -73.1134 -47.1686 48.2459 -35.571 6.57456 115.427 PRESSAVG: 4980400 -15.5639 -17.5779 -11.844 -17.5778 44.228 5.81763 -11.844 5.81763 -28.4678 GPRESSAVG: 4980400 -14.7955 -17.2068 -10.8638 -17.4949 43.7385 3.17557 -13.4536 5.42477 -28.739 TIMING: 4980400 CPU: 14777.9, 0.00297883/step Wall: 14777.9, 0.00297883/step, 0.0162181 hours remaining, 208.742188 MB of memory in use. ENERGY: 4980400 748.2968 2064.7904 1928.4029 100.6781 -206189.9640 17770.1231 0.0000 0.0000 34245.8240 -149331.8487 299.0773 -183577.6728 -149233.6604 299.4796 2.3581 33.6903 557227.5157 0.0655 0.0680 PRESSURE: 4980600 118.564 -78.1428 -139.369 -78.1421 -190.833 31.9141 -139.369 31.9151 -101.904 GPRESSURE: 4980600 149.746 -108.853 -110.915 -122.762 -158.218 47.7199 -54.0613 -28.0489 -70.3887 PRESSAVG: 4980600 -46.8775 -61.5136 -50.2179 -61.5137 53.7879 37.8231 -50.2178 37.8231 19.0463 GPRESSAVG: 4980600 -47.7156 -62.106 -50.2712 -61.3901 55.5126 38.0399 -49.0024 38.4013 18.7794 TIMING: 4980600 CPU: 14778.4, 0.00290931/step Wall: 14778.4, 0.00290931/step, 0.0156779 hours remaining, 208.742188 MB of memory in use. ENERGY: 4980600 771.9387 2051.1233 1934.8480 111.6781 -205826.1899 17545.3849 0.0000 0.0000 34008.2827 -149402.9341 297.0028 -183411.2168 -149306.3317 298.8643 -58.0576 -26.2869 557061.5847 8.6522 8.8588 PRESSURE: 4980800 -92.8218 -37.459 51.6005 -37.4586 -182.961 0.820699 51.5998 0.821307 -111.315 GPRESSURE: 4980800 -101.084 -29.7402 82.6163 6.503 -120.285 4.74063 79.5106 12.7549 -57.4756 PRESSAVG: 4980800 29.033 5.2806 -58.0136 5.28064 0.586759 28.0366 -58.0136 28.0365 -47.718 GPRESSAVG: 4980800 30.4072 5.98308 -57.2229 6.46398 -0.627088 29.9802 -60.1942 26.8745 -47.4342 TIMING: 4980800 CPU: 14779, 0.0029424/step Wall: 14779, 0.0029424/step, 0.0156928 hours remaining, 208.742188 MB of memory in use. ENERGY: 4980800 759.4107 2006.7720 1955.8156 104.6690 -206010.8351 17680.5796 0.0000 0.0000 34194.7946 -149308.7935 298.6316 -183503.5881 -149207.8197 298.4342 -129.0325 -92.9483 557831.9269 -6.0328 -5.8847 PRESSURE: 4981000 -117.717 -60.1696 -19.8269 -60.17 -84.6108 -113.767 -19.8267 -113.766 -122.186 GPRESSURE: 4981000 -114.191 -52.6064 -14.7224 -46.8686 -45.2853 -70.285 -27.6254 -212.715 -57.6371 PRESSAVG: 4981000 -3.21772 -46.4959 -26.8409 -46.4959 6.20585 15.8804 -26.841 15.8803 -19.7742 GPRESSAVG: 4981000 -2.85537 -45.9782 -28.5609 -48.807 6.52987 15.1547 -22.3835 16.7841 -20.1828 TIMING: 4981000 CPU: 14779.6, 0.00291213/step Wall: 14779.6, 0.00291213/step, 0.0153696 hours remaining, 208.742188 MB of memory in use. ENERGY: 4981000 727.0743 2094.3373 1921.4619 120.9942 -206209.4958 17856.7013 0.0000 0.0000 34178.1944 -149310.7323 298.4867 -183488.9268 -149216.7538 298.6630 -108.1715 -72.3713 558054.9184 -5.5954 -5.5028 PRESSURE: 4981200 -224.88 -3.67468 68.3298 -3.67424 -148.109 97.8854 68.3296 97.8851 118.619 GPRESSURE: 4981200 -153.186 7.32316 100.348 1.11163 -96.0594 127.657 66.7112 19.1813 88.5706 PRESSAVG: 4981200 1.37751 27.8782 14.9856 27.8783 46.147 19.777 14.9856 19.777 -6.41469 GPRESSAVG: 4981200 1.35908 27.968 15.9229 27.3035 46.7714 21.3595 12.9841 16.7348 -7.18001 TIMING: 4981200 CPU: 14780.2, 0.00289619/step Wall: 14780.2, 0.00289619/step, 0.0151245 hours remaining, 208.742188 MB of memory in use. ENERGY: 4981200 710.1437 2033.8967 1955.3997 115.6269 -206033.3353 17654.4855 0.0000 0.0000 34142.5941 -149421.1887 298.1758 -183563.7828 -149320.1150 299.1701 -84.7901 -53.5581 557041.2102 13.7033 13.6501 PRESSURE: 4981400 -82.5509 104.957 -180.829 104.957 273.541 -6.73887 -180.83 -6.7389 280.381 GPRESSURE: 4981400 22.1769 89.5646 -151.217 133.545 243.794 16.6582 -169.772 -17.9596 292.998 PRESSAVG: 4981400 10.0796 37.4704 3.25128 37.4705 -3.90822 4.03087 3.2512 4.0309 5.53222 GPRESSAVG: 4981400 9.81282 36.3601 4.16975 37.0727 -5.28021 3.04672 1.4444 7.9285 6.86 TIMING: 4981400 CPU: 14780.8, 0.00291482/step Wall: 14780.8, 0.00291482/step, 0.0150599 hours remaining, 208.742188 MB of memory in use. ENERGY: 4981400 748.0631 2051.4664 1933.4230 107.3957 -206521.0991 18066.9884 0.0000 0.0000 34273.4519 -149340.3105 299.3186 -183613.7625 -149245.6058 298.9179 157.1236 186.3229 555698.7680 3.9012 3.7975 PRESSURE: 4981600 -49.6817 -29.5861 -104.696 -29.5877 63.1384 -130.876 -104.695 -130.876 -72.0903 GPRESSURE: 4981600 5.52047 -10.9378 -5.43548 -1.30096 129.421 -86.0228 -164.731 -183.196 -86.0626 PRESSAVG: 4981600 -52.5713 6.28995 -2.83324 6.28994 27.4102 -3.99141 -2.8332 -3.99134 38.7477 GPRESSAVG: 4981600 -53.393 5.53332 -2.32017 9.20889 27.6684 -4.80914 -2.12293 -5.98739 38.9978 TIMING: 4981600 CPU: 14781.4, 0.00293426/step Wall: 14781.4, 0.00293426/step, 0.0149973 hours remaining, 208.742188 MB of memory in use. ENERGY: 4981600 737.6896 2122.5591 1967.0700 118.9627 -206053.9179 17680.2155 0.0000 0.0000 34203.7077 -149223.7134 298.7095 -183427.4210 -149122.8443 298.4711 -19.5445 16.2930 557702.6004 4.5288 4.4244 PRESSURE: 4981800 -146.724 -121.431 16.4103 -121.432 144.295 30.9235 16.4103 30.9234 89.7241 GPRESSURE: 4981800 -123.801 -113.944 87.1836 -94.1385 215.901 42.7453 10.2624 -10.4798 105.817 PRESSAVG: 4981800 -25.6113 -40.2816 -41.4447 -40.2815 6.24455 -3.67178 -41.4448 -3.67175 48.6076 GPRESSAVG: 4981800 -25.4929 -40.693 -42.5986 -40.6612 7.13947 -0.551175 -40.3863 -4.23335 47.5212 TIMING: 4981800 CPU: 14781.9, 0.00291896/step Wall: 14781.9, 0.00291896/step, 0.014757 hours remaining, 208.742188 MB of memory in use. ENERGY: 4981800 705.7711 2103.9034 1955.3269 123.5021 -206251.7699 17814.6558 0.0000 0.0000 34267.6863 -149280.9243 299.2682 -183548.6106 -149180.5325 299.5983 29.0987 65.9724 556440.5578 9.7469 9.7226 PRESSURE: 4982000 196.148 -173.007 3.63861 -173.007 74.1547 13.5057 3.6387 13.5044 72.4459 GPRESSURE: 4982000 184.892 -198.251 -2.89603 -207.796 128.223 36.6933 1.83258 26.2 123.591 PRESSAVG: 4982000 48.7791 -7.333 15.1813 -7.33304 20.9138 -37.0593 15.1812 -37.0593 -50.6501 GPRESSAVG: 4982000 49.9459 -6.41837 16.3027 -8.3365 19.8304 -39.9555 13.1809 -36.1881 -50.6593 TIMING: 4982000 CPU: 14782.5, 0.00295457/step Wall: 14782.5, 0.00295457/step, 0.0147729 hours remaining, 208.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4982000 769.0621 2087.6218 1943.2558 107.5082 -206204.1414 17897.0610 0.0000 0.0000 34326.5915 -149073.0409 299.7827 -183399.6325 -148976.5935 299.6513 114.2496 145.5687 556533.0766 6.3476 6.3724 PRESSURE: 4982200 -64.371 35.4062 -44.7292 35.4073 -136.432 0.0588112 -44.7285 0.0592514 43.1946 GPRESSURE: 4982200 -20.1732 -9.53819 -95.0131 68.5352 -82.4273 -133.17 -0.986567 8.32734 30.8783 PRESSAVG: 4982200 6.77754 21.3289 -16.2408 21.329 -44.8224 -25.5917 -16.2407 -25.5917 22.1767 GPRESSAVG: 4982200 6.76566 22.3421 -17.2891 22.7057 -44.6919 -24.7072 -13.4784 -27.7187 22.0813 TIMING: 4982200 CPU: 14783.1, 0.00297281/step Wall: 14783.1, 0.00297281/step, 0.0146989 hours remaining, 208.742188 MB of memory in use. ENERGY: 4982200 749.0938 2087.4409 1950.4648 106.1296 -206324.6296 17898.2001 0.0000 0.0000 34385.3519 -149147.9485 300.2958 -183533.3004 -149052.5179 300.3249 -52.5360 -23.9074 557814.3157 -5.2894 -5.2816 PRESSURE: 4982400 -29.3675 -122.761 -5.80831 -122.763 -185.523 64.0879 -5.80889 64.0889 44.6284 GPRESSURE: 4982400 40.4726 -94.8753 -112.92 -89.6101 -206.481 85.5403 43.3413 42.7983 89.6346 PRESSAVG: 4982400 81.1628 17.3293 17.3897 17.3293 -49.5749 -12.9134 17.3895 -12.9134 -15.021 GPRESSAVG: 4982400 80.04 15.9598 17.758 17.2926 -48.6844 -12.0867 15.997 -12.0707 -14.1808 TIMING: 4982400 CPU: 14783.7, 0.00294914/step Wall: 14783.7, 0.00294914/step, 0.014418 hours remaining, 208.742188 MB of memory in use. ENERGY: 4982400 765.7400 2088.0964 1914.7855 110.3381 -205964.8514 17610.5950 0.0000 0.0000 34225.5984 -149249.6980 298.9007 -183475.2964 -149150.1531 299.3844 -56.7539 -25.4579 556701.2627 5.5223 5.7249 PRESSURE: 4982600 -62.0491 -7.49732 135.27 -7.49643 -260.491 188.779 135.27 188.779 20.9274 GPRESSURE: 4982600 -51.8722 -57.413 125.944 -66.1363 -219.105 178.731 135.887 167.77 60.594 PRESSAVG: 4982600 23.4952 9.6103 -15.0708 9.61027 2.47688 39.3835 -15.0708 39.3836 24.1312 GPRESSAVG: 4982600 24.4106 11.7021 -15.1048 8.44071 1.61064 39.1753 -15.2481 39.7482 23.7899 TIMING: 4982600 CPU: 14784.3, 0.00296058/step Wall: 14784.3, 0.00296058/step, 0.0143095 hours remaining, 208.742188 MB of memory in use. ENERGY: 4982600 778.0016 2143.6640 1923.5575 128.8392 -206312.2775 17588.4558 0.0000 0.0000 34346.9741 -149402.7853 299.9607 -183749.7594 -149309.1184 299.1458 -100.5377 -70.1276 555700.8578 16.7011 16.6037 PRESSURE: 4982800 -60.8686 30.3454 3.44546 30.3446 8.68339 -169.381 3.4455 -169.381 -19.0002 GPRESSURE: 4982800 -7.5547 50.1689 55.6004 41.5359 -18.6319 -141.92 17.8856 -221.778 58.6486 PRESSAVG: 4982800 21.9514 -17.5923 5.69695 -17.5923 -0.589241 34.4593 5.6969 34.4595 -14.114 GPRESSAVG: 4982800 22.5462 -18.8677 7.15526 -17.6114 0.0298536 34.4778 4.29414 34.6035 -14.7103 TIMING: 4982800 CPU: 14784.9, 0.00298748/step Wall: 14784.9, 0.00298748/step, 0.0142735 hours remaining, 208.742188 MB of memory in use. ENERGY: 4982800 754.3431 2063.3811 1945.8386 113.7451 -206025.7607 17621.9643 0.0000 0.0000 34093.2446 -149433.2439 297.7448 -183526.4885 -149338.6510 299.0645 -23.7285 10.8207 556850.2099 2.4161 2.6219 PRESSURE: 4983000 68.5943 115.48 66.7908 115.481 -72.4086 -155.709 66.7899 -155.708 78.2952 GPRESSURE: 4983000 48.646 15.4354 81.45 247.705 -47.3292 -209.866 33.6293 -130.132 172.533 PRESSAVG: 4983000 0.596641 -3.82249 23.0272 -3.82239 -6.29475 11.8822 23.0272 11.8823 26.2295 GPRESSAVG: 4983000 -0.987593 -6.19067 22.254 -2.06851 -4.92012 8.69077 24.4733 12.1185 26.3526 TIMING: 4983000 CPU: 14785.5, 0.002975/step Wall: 14785.5, 0.002975/step, 0.0140486 hours remaining, 208.742188 MB of memory in use. ENERGY: 4983000 722.3222 2069.6820 1939.5832 107.5824 -206425.1724 17917.0044 0.0000 0.0000 34221.1952 -149447.8030 298.8622 -183668.9982 -149348.2516 298.8050 24.8270 57.9500 558141.2446 6.8438 6.8150 PRESSURE: 4983200 -226.212 -131.037 6.40424 -131.035 -15.7253 147.669 6.40461 147.669 208.319 GPRESSURE: 4983200 -172.32 -66.1371 76.233 -197.342 -32.9188 151.614 -41.1006 135.62 267.126 PRESSAVG: 4983200 -10.2114 -22.3263 -13.6388 -22.3263 24.8229 -8.30116 -13.6388 -8.30112 -9.55929 GPRESSAVG: 4983200 -10.0513 -18.7124 -14.4218 -23.7867 23.544 -6.24766 -11.7569 -9.19427 -8.70568 TIMING: 4983200 CPU: 14786.1, 0.00296101/step Wall: 14786.1, 0.00296101/step, 0.013818 hours remaining, 208.742188 MB of memory in use. ENERGY: 4983200 734.8090 2078.4178 1922.4700 107.8558 -206425.9276 17862.4658 0.0000 0.0000 34330.9461 -149388.9632 299.8207 -183719.9093 -149289.8346 298.0945 -11.2064 20.6293 558277.2705 1.6841 1.5956 PRESSURE: 4983400 -212.891 13.6005 -40.8646 13.6004 -56.0934 -148.997 -40.8653 -148.998 -89.2734 GPRESSURE: 4983400 -199.154 62.9775 35.5708 -11.6501 -59.6602 -120.272 -47.0966 -97.3382 -8.96697 PRESSAVG: 4983400 -32.3757 -9.18607 11.8916 -9.18595 30.2749 5.7545 11.8916 5.75436 -24.8308 GPRESSAVG: 4983400 -33.3838 -11.0808 14.1825 -7.88149 30.9057 5.5884 8.8055 7.00615 -24.2792 TIMING: 4983400 CPU: 14786.7, 0.0029601/step Wall: 14786.7, 0.00296009/step, 0.0136493 hours remaining, 208.742188 MB of memory in use. ENERGY: 4983400 752.3611 2057.0504 1935.6156 120.3298 -206268.5728 17669.2298 0.0000 0.0000 34353.0705 -149380.9157 300.0139 -183733.9861 -149282.8239 298.5041 -119.4194 -89.2605 558363.1990 -8.9772 -8.9191 PRESSURE: 4983600 262.115 -59.047 -65.1967 -59.0476 46.724 -2.76666 -65.1977 -2.76753 14.4816 GPRESSURE: 4983600 304.45 2.91856 -20.5619 -91.093 74.7864 -18.7906 -115.482 62.9141 53.5223 PRESSAVG: 4983600 -22.8669 37.2712 -66.5666 37.2712 60.0243 15.0821 -66.5666 15.0821 33.3451 GPRESSAVG: 4983600 -21.6296 38.1941 -68.9889 36.0231 59.8302 15.6405 -63.9115 13.9735 31.6466 TIMING: 4983600 CPU: 14787.3, 0.00295235/step Wall: 14787.3, 0.00295235/step, 0.0134496 hours remaining, 208.742188 MB of memory in use. ENERGY: 4983600 720.3632 2081.3382 1930.9257 117.3838 -206621.6860 17976.2345 0.0000 0.0000 34341.3296 -149454.1110 299.9114 -183795.4406 -149366.0823 298.6484 107.7734 144.2527 558313.8734 23.5008 23.2824 PRESSURE: 4983800 -250.949 -90.5749 27.9395 -90.5741 23.2037 -2.24842 27.9386 -2.24917 -176.743 GPRESSURE: 4983800 -155.969 -82.4565 103.841 -110.062 37.5954 -51.7883 -83.247 9.72988 -186.974 PRESSAVG: 4983800 -20.8462 3.39956 40.1719 3.39961 36.82 -9.32175 40.1719 -9.32183 3.6045 GPRESSAVG: 4983800 -20.7076 3.62708 41.8322 3.10786 35.6651 -9.37759 38.7858 -8.55613 4.57826 TIMING: 4983800 CPU: 14787.9, 0.00302097/step Wall: 14787.9, 0.00302097/step, 0.0135944 hours remaining, 208.742188 MB of memory in use. ENERGY: 4983800 772.7646 2144.1362 1909.3612 113.1583 -206174.7977 17679.5560 0.0000 0.0000 34142.3433 -149413.4781 298.1736 -183555.8214 -149319.8871 298.7143 -134.8295 -101.7828 557481.2089 6.5261 6.5119 PRESSURE: 4984000 95.7663 1.8684 161.906 1.86758 -156.648 -1.75427 161.905 -1.75446 68.943 GPRESSURE: 4984000 164.856 -3.18763 130.095 83.3438 -156.534 98.0775 251.74 -46.5538 101.889 PRESSAVG: 4984000 -26.726 69.9199 44.3155 69.9199 16.0412 36.4481 44.3156 36.448 10.2939 GPRESSAVG: 4984000 -28.3365 70.2971 44.0917 70.6016 17.2129 38.3602 45.4145 35.2203 10.5009 TIMING: 4984000 CPU: 14788.5, 0.00301276/step Wall: 14788.5, 0.00301276/step, 0.0133901 hours remaining, 208.742188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4984000 697.6790 2130.3369 1926.1880 121.6690 -206165.5134 17765.5704 0.0000 0.0000 34167.7176 -149356.3525 298.3952 -183524.0701 -149264.6534 298.5540 2.6872 36.7371 557416.9963 -0.1303 -0.2076 PRESSURE: 4984200 -208.919 -102.527 -55.5428 -102.527 -444.506 -49.3967 -55.5428 -49.3975 12.5787 GPRESSURE: 4984200 -225.232 -28.1693 -90.5029 -138.269 -376.959 -63.3338 -30.0822 -32.0718 53.3572 PRESSAVG: 4984200 -51.9641 18.641 -2.18072 18.6411 -27.298 27.9614 -2.18076 27.9615 73.5693 GPRESSAVG: 4984200 -49.8637 17.3546 -3.17199 19.6875 -28.6183 24.1661 -1.79864 28.7867 72.9399 TIMING: 4984200 CPU: 14789.1, 0.00296953/step Wall: 14789.1, 0.00296953/step, 0.013033 hours remaining, 208.742188 MB of memory in use. ENERGY: 4984200 776.0070 2116.6473 1960.2746 124.9989 -205981.4858 17509.5568 0.0000 0.0000 34285.6710 -149208.3302 299.4253 -183494.0012 -149111.7542 299.7679 -213.6155 -182.9443 558477.1022 -1.8976 -1.8473 LDB: ============= START OF LOAD BALANCING ============== 14792.6 LDB: ============== END OF LOAD BALANCING =============== 14792.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14792.6 LDB: ============= START OF LOAD BALANCING ============== 14792.9 LDB: Largest compute 4801 load 0.022318 is 18.9% of average load 0.118289 LDB: Average compute 0.001719 is 1.5% of average load 0.118289 LDB: TIME 14792.9 LOAD: AVG 0.118289 MAX 0.19649 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.551 MB LDB: TIME 14792.9 LOAD: AVG 0.118289 MAX 0.19649 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.613 MB LDB: TIME 14792.9 LOAD: AVG 0.118289 MAX 0.19649 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.613 MB LDB: ============== END OF LOAD BALANCING =============== 14792.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14792.9 PRESSURE: 4984400 -143.375 134.707 -18.2387 134.707 4.77766 3.14351 -18.2399 3.14398 -161.489 GPRESSURE: 4984400 -179.55 155.135 58.8467 74.7244 75.3579 -47.4066 -95.4915 30.7272 -104.388 PRESSAVG: 4984400 -18.4392 13.3821 -36.9033 13.3821 -23.0419 16.7154 -36.9033 16.7154 18.776 GPRESSAVG: 4984400 -19.2873 14.6439 -38.392 12.1113 -22.3252 19.944 -35.7775 14.3193 19.3472 TIMING: 4984400 CPU: 14789.7, 0.00301332/step Wall: 14789.7, 0.00301332/step, 0.0130577 hours remaining, 209.320312 MB of memory in use. ENERGY: 4984400 765.4485 2141.8883 1934.6615 112.9078 -206298.8753 17803.0882 0.0000 0.0000 34338.6009 -149202.2801 299.8875 -183540.8810 -149109.2965 299.6569 -100.0289 -69.5269 559436.9618 -7.5684 -7.4218 PRESSURE: 4984600 -132.438 -3.38475 -0.0875226 -3.38561 36.7256 -194.557 -0.088364 -194.557 -47.5194 GPRESSURE: 4984600 -82.7269 -46.814 72.1065 28.173 140.832 -167.967 -53.4982 -179.3 -94.2943 PRESSAVG: 4984600 -32.7774 40.0359 22.3245 40.0359 -17.3804 -48.337 22.3246 -48.337 20.5004 GPRESSAVG: 4984600 -32.8917 38.2411 24.322 40.1773 -18.261 -48.2184 21.7295 -45.2571 21.3811 TIMING: 4984600 CPU: 14790.3, 0.00295268/step Wall: 14790.3, 0.00295268/step, 0.0126309 hours remaining, 209.578125 MB of memory in use. ENERGY: 4984600 752.9401 2111.7712 1926.5209 128.2195 -206163.9538 17794.3606 0.0000 0.0000 34210.2463 -149239.8952 298.7666 -183450.1415 -149140.2055 299.1330 -47.7440 -12.0631 558505.6859 -9.8858 -9.9238 PRESSURE: 4984800 -148.93 42.5333 -7.64375 42.5332 -32.2162 -124.886 -7.64361 -124.885 57.9596 GPRESSURE: 4984800 -130.179 32.7814 -42.5529 115.951 43.6153 -188.054 37.7939 -101.461 46.9839 PRESSAVG: 4984800 -41.6647 31.4424 13.7523 31.4423 -3.76465 -49.6581 13.7522 -49.658 37.4432 GPRESSAVG: 4984800 -41.6008 32.28 13.8385 29.8893 -1.79 -52.48 12.2705 -51.6171 35.705 TIMING: 4984800 CPU: 14790.9, 0.00298196/step Wall: 14790.9, 0.00298196/step, 0.0125905 hours remaining, 209.578125 MB of memory in use. ENERGY: 4984800 706.5865 2139.5922 1934.3436 123.7298 -206134.5188 17671.9942 0.0000 0.0000 34323.5243 -149234.7481 299.7559 -183558.2724 -149138.5934 299.2047 -41.0623 -13.1933 557541.8607 -2.6621 -2.5619 PRESSURE: 4985000 -219.174 222.902 12.3723 222.902 -104.84 -27.3863 12.3732 -27.3869 -112.667 GPRESSURE: 4985000 -186.398 114.775 16.1609 255.027 -79.5314 4.54013 51.7262 53.0164 -69.1954 PRESSAVG: 4985000 -6.84495 11.9636 -13.6596 11.9636 -48.7611 25.9848 -13.6597 25.9848 45.0339 GPRESSAVG: 4985000 -6.99381 12.598 -13.2213 12.9328 -50.2245 28.4293 -11.0549 26.3175 46.2211 TIMING: 4985000 CPU: 14791.5, 0.00296054/step Wall: 14791.5, 0.00296054/step, 0.0123356 hours remaining, 209.578125 MB of memory in use. ENERGY: 4985000 757.3452 2121.3774 1936.5353 119.0586 -205956.1125 17823.7668 0.0000 0.0000 34107.2247 -149090.8046 297.8669 -183198.0292 -148988.0417 299.0361 -145.5605 -111.7081 559537.2372 -3.5241 -3.6658 PRESSURE: 4985200 -242.965 -73.3309 -191.418 -73.3323 -208.868 -47.8442 -191.418 -47.8423 -62.6651 GPRESSURE: 4985200 -212.678 -58.4071 -257.886 -64.1865 -184.174 45.7739 -157.361 -101.612 -20.5835 PRESSAVG: 4985200 18.3692 30.687 -59.1978 30.687 -15.0894 -43.9614 -59.1979 -43.9614 69.1133 GPRESSAVG: 4985200 18.8802 31.5695 -60.7312 30.7322 -14.3786 -45.0713 -59.2854 -44.1823 68.0836 TIMING: 4985200 CPU: 14792, 0.0029265/step Wall: 14792, 0.0029265/step, 0.0120312 hours remaining, 209.578125 MB of memory in use. ENERGY: 4985200 779.9549 2074.7574 1923.0392 115.6801 -205889.4501 17493.9092 0.0000 0.0000 34371.4255 -149130.6836 300.1742 -183502.1091 -149031.9018 299.4993 -171.4994 -139.1449 559374.3604 24.1310 24.1951 PRESSURE: 4985400 343.364 -6.58493 255.408 -6.58495 131.891 48.4752 255.409 48.4747 79.7357 GPRESSURE: 4985400 349.85 -1.78476 246.265 45.5105 183.394 70.0326 271.387 6.31262 125.597 PRESSAVG: 4985400 -2.82351 -9.18928 23.7513 -9.18918 -19.354 3.10718 23.7512 3.10713 13.5399 GPRESSAVG: 4985400 -3.67423 -10.9707 22.6259 -10.8832 -19.8345 2.37057 24.3527 4.27499 14.7377 TIMING: 4985400 CPU: 14792.6, 0.00292924/step Wall: 14792.6, 0.00292924/step, 0.0118797 hours remaining, 209.578125 MB of memory in use. ENERGY: 4985400 748.6419 2063.3074 1935.2968 120.6181 -206651.8503 18232.9357 0.0000 0.0000 34390.5975 -149160.4529 300.3416 -183551.0504 -149065.4202 299.6693 184.9971 219.6134 558065.3478 -2.8792 -2.9237 PRESSURE: 4985600 258.027 -115.504 74.2119 -115.504 139.504 -50.4568 74.2101 -50.4574 26.2944 GPRESSURE: 4985600 309.709 -65.6577 87.3179 -164.18 191.299 -12.6098 12.2461 -101.68 25.4221 PRESSAVG: 4985600 -15.1912 -47.3922 -61.2374 -47.3922 17.6384 -10.961 -61.2375 -10.9609 -13.5157 GPRESSAVG: 4985600 -15.1468 -46.6863 -59.0363 -45.8956 18.0378 -9.44 -63.2283 -12.6916 -13.6552 TIMING: 4985600 CPU: 14793.2, 0.00295645/step Wall: 14793.2, 0.00295645/step, 0.0118258 hours remaining, 209.578125 MB of memory in use. ENERGY: 4985600 727.7517 2089.8016 1904.0829 117.2464 -206419.6032 17970.6755 0.0000 0.0000 34400.6252 -149209.4200 300.4292 -183610.0452 -149104.7446 299.9082 141.2753 175.4767 557185.6079 -3.6895 -3.5881 PRESSURE: 4985800 -19.3049 111.375 89.9428 111.375 18.8688 72.5151 89.9424 72.5142 -16.4981 GPRESSURE: 4985800 44.1228 30.7946 93.3073 88.3234 4.99423 66.7682 57.9978 95.0436 28.785 PRESSAVG: 4985800 -30.243 5.65045 -27.1847 5.65039 15.86 28.3441 -27.1848 28.3442 5.41878 GPRESSAVG: 4985800 -28.9332 4.26102 -27.3021 6.73346 15.3075 28.9997 -28.817 29.5977 4.49966 TIMING: 4985800 CPU: 14793.8, 0.00293406/step Wall: 14793.8, 0.00293406/step, 0.0115732 hours remaining, 209.578125 MB of memory in use. ENERGY: 4985800 723.8902 2103.3290 1953.3109 113.0127 -206506.6641 17991.1521 0.0000 0.0000 34261.2190 -149360.7503 299.2117 -183621.9693 -149270.6214 299.1282 -5.6447 25.9673 557917.0645 -2.9881 -3.0420 PRESSURE: 4986000 -531.082 240.499 23.2196 240.5 -384.572 -212.144 23.2203 -212.146 -331.213 GPRESSURE: 4986000 -501.846 284.988 88.71 245.254 -362.019 -262.484 -16.9827 -211.707 -290.804 PRESSAVG: 4986000 -50.9265 72.1474 6.76333 72.1473 26.6367 -3.543 6.76333 -3.54307 18.7524 GPRESSAVG: 4986000 -52.2922 72.2225 8.04616 72.4527 27.3306 -4.01946 7.8152 -4.21032 19.5966 TIMING: 4986000 CPU: 14794.4, 0.00293092/step Wall: 14794.4, 0.00293092/step, 0.011398 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4986000 782.6028 2144.1705 1955.7575 116.0061 -205956.5863 17364.4259 0.0000 0.0000 34261.2381 -149332.3854 299.2119 -183593.6235 -149238.8732 298.8421 -415.6223 -384.8896 559983.9836 -1.8458 -1.7883 PRESSURE: 4986200 -35.9656 -8.46971 -114.747 -8.47027 -65.3923 -26.7756 -114.747 -26.7757 -119.977 GPRESSURE: 4986200 5.82401 19.632 -93.713 28.5425 -64.4108 -51.8385 -45.0821 2.81499 -60.5926 PRESSAVG: 4986200 -20.0417 77.6866 23.3869 77.6866 45.5567 -15.565 23.387 -15.5651 -0.381663 GPRESSAVG: 4986200 -17.9257 79.5957 23.5509 77.2125 44.5031 -16.0924 22.7397 -15.0808 -1.95669 TIMING: 4986200 CPU: 14795, 0.00292368/step Wall: 14795, 0.00292368/step, 0.0112074 hours remaining, 209.578125 MB of memory in use. ENERGY: 4986200 742.2875 2126.3255 1916.2642 109.1706 -206196.3065 17808.0815 0.0000 0.0000 34387.8044 -149106.3727 300.3172 -183494.1771 -149004.2800 299.1644 -73.7784 -39.7265 558999.6368 8.3778 8.2069 PRESSURE: 4986400 -231.87 45.8795 -52.778 45.8783 -156.172 167.1 -52.7777 167.102 -77.7296 GPRESSURE: 4986400 -166.488 -5.78412 -74.107 49.767 -201.91 131.317 5.99122 178.218 -4.45094 PRESSAVG: 4986400 21.809 31.9323 17.6894 31.9323 -73.6841 -17.9204 17.6895 -17.9202 56.8221 GPRESSAVG: 4986400 19.2711 29.9239 15.3748 31.0562 -72.8181 -17.8147 19.3461 -16.8478 58.2174 TIMING: 4986400 CPU: 14795.6, 0.00292225/step Wall: 14795.6, 0.00292225/step, 0.0110396 hours remaining, 209.578125 MB of memory in use. ENERGY: 4986400 753.6754 2100.8347 1924.8685 104.6517 -205977.6027 17603.0113 0.0000 0.0000 34393.3718 -149097.1893 300.3659 -183490.5611 -149000.9451 299.9308 -155.2570 -124.2829 557751.7153 1.6490 1.5568 PRESSURE: 4986600 87.0915 9.10591 -37.6177 9.10565 254.814 -27.2052 -37.6189 -27.2058 161.266 GPRESSURE: 4986600 156.413 -51.7519 -51.2979 29.1985 247.528 23.0631 -67.8125 -61.4757 197.062 PRESSAVG: 4986600 3.45664 4.1299 -48.1696 4.12987 -80.3495 7.04816 -48.1696 7.04822 64.521 GPRESSAVG: 4986600 4.51742 5.39356 -48.4792 5.06255 -81.3028 6.68135 -47.996 7.0406 64.6605 TIMING: 4986600 CPU: 14796.1, 0.00290008/step Wall: 14796.1, 0.00290008/step, 0.0107947 hours remaining, 209.578125 MB of memory in use. ENERGY: 4986600 730.5451 2150.8403 1894.5080 104.7857 -206366.8666 18029.3252 0.0000 0.0000 34409.0263 -149047.8360 300.5026 -183456.8623 -148957.8314 299.8101 167.7237 200.3344 557834.2925 -4.1239 -4.0416 PRESSURE: 4986800 -126.54 41.1627 -46.2395 41.1629 122.853 158.107 -46.2402 158.107 -109.95 GPRESSURE: 4986800 -51.6353 -46.0549 -28.3683 58.3208 111.298 76.8555 -80.9053 160.127 -84.9141 PRESSAVG: 4986800 -13.8919 13.9472 -24.8032 13.9474 -6.08046 18.747 -24.8032 18.7469 -11.8034 GPRESSAVG: 4986800 -14.087 14.0527 -24.4289 12.4898 -5.24007 18.87 -23.9601 17.3309 -12.1107 TIMING: 4986800 CPU: 14796.7, 0.00294783/step Wall: 14796.7, 0.00294783/step, 0.0108087 hours remaining, 209.578125 MB of memory in use. ENERGY: 4986800 810.1618 2115.1898 1918.0707 108.2716 -206247.0831 17682.9456 0.0000 0.0000 34327.1247 -149285.3189 299.7873 -183612.4436 -149196.1241 299.1406 -37.8791 -8.4172 556067.5364 -10.5919 -10.4792 PRESSURE: 4987000 -114.762 16.8357 -79.8338 16.8348 162.352 -21.2999 -79.8342 -21.3007 12.6944 GPRESSURE: 4987000 -15.4785 -36.6491 -4.38261 60.0182 166.27 -32.6887 -48.9581 7.14828 17.2867 PRESSAVG: 4987000 -24.3575 -18.0416 -0.409161 -18.0416 -29.4814 -3.54443 -0.40918 -3.54443 35.6742 GPRESSAVG: 4987000 -23.6987 -17.4004 0.351421 -18.212 -29.9566 -2.14676 -2.05058 -3.88905 35.0407 TIMING: 4987000 CPU: 14797.3, 0.00299305/step Wall: 14797.3, 0.00299305/step, 0.0108082 hours remaining, 209.578125 MB of memory in use. ENERGY: 4987000 747.5627 2031.8943 1927.2201 103.4022 -206217.5913 17802.6321 0.0000 0.0000 34396.0343 -149208.8456 300.3891 -183604.8798 -149106.6062 299.7434 20.0947 56.0262 555555.1207 -6.0549 -6.2049 PRESSURE: 4987200 -317.608 122.109 15.0728 122.11 -282.071 112.778 15.0721 112.778 -316.794 GPRESSURE: 4987200 -239.742 53.3984 -59.6937 179.045 -293.405 83.6254 -2.3934 147.589 -280.161 PRESSAVG: 4987200 1.66899 -31.2525 -9.09376 -31.2525 39.4774 4.99263 -9.09378 4.99278 -34.7035 GPRESSAVG: 4987200 -1.47995 -32.2269 -9.13547 -29.6777 40.6087 3.90432 -9.74237 5.19258 -32.8077 TIMING: 4987200 CPU: 14797.9, 0.0029959/step Wall: 14797.9, 0.0029959/step, 0.0106521 hours remaining, 209.578125 MB of memory in use. ENERGY: 4987200 770.0990 2058.7210 1919.9331 114.6410 -205399.3709 17309.2679 0.0000 0.0000 34235.4478 -148991.2610 298.9867 -183226.7088 -148890.0013 299.5992 -305.4909 -271.1025 560216.9232 2.1476 2.1070 PRESSURE: 4987400 -48.9914 13.0671 52.5996 13.0674 -435.148 -49.4427 52.601 -49.4421 -257.411 GPRESSURE: 4987400 -20.9958 24.5436 -7.57026 47.4211 -347.38 -115.4 30.3523 -55.7052 -264.558 PRESSAVG: 4987400 97.9201 -13.6436 -37.7789 -13.6436 -30.2718 -26.8122 -37.7789 -26.8121 -63.6842 GPRESSAVG: 4987400 99.7868 -12.7904 -38.3104 -14.6466 -29.6953 -26.626 -35.988 -27.8614 -65.5563 TIMING: 4987400 CPU: 14798.5, 0.00297922/step Wall: 14798.5, 0.00297922/step, 0.0104273 hours remaining, 209.578125 MB of memory in use. ENERGY: 4987400 778.2894 2129.2780 1932.9415 117.7777 -205862.7863 17472.7523 0.0000 0.0000 34357.2591 -149074.4883 300.0505 -183431.7474 -148972.3044 299.9339 -247.1835 -210.9779 559661.4081 1.3214 1.5117 PRESSURE: 4987600 10.2895 66.7072 213.674 66.7072 104.717 -173.75 213.673 -173.75 70.2267 GPRESSURE: 4987600 84.2712 118.871 191.969 116.213 67.9887 -254.669 249.815 -50.0397 127.603 PRESSAVG: 4987600 -16.8471 41.2281 28.6064 41.228 98.8157 -22.3179 28.6063 -22.3178 -69.0948 GPRESSAVG: 4987600 -16.8784 40.8462 28.9413 42.3082 97.1085 -20.5376 27.5714 -24.2916 -67.546 TIMING: 4987600 CPU: 14799.1, 0.00295803/step Wall: 14799.1, 0.00295803/step, 0.0101888 hours remaining, 209.578125 MB of memory in use. ENERGY: 4987600 744.1102 2138.7559 1930.7444 107.9446 -206220.9399 17959.9479 0.0000 0.0000 34311.6373 -149027.7995 299.6521 -183339.4368 -148929.1255 299.7917 61.7443 93.2876 558838.7565 4.2913 4.2280 PRESSURE: 4987800 -21.1097 102.083 97.815 102.083 126.306 -65.4212 97.8144 -65.4205 25.2762 GPRESSURE: 4987800 26.2989 40.3704 89.6633 134.34 157.461 -56.1146 39.0269 -66.4607 40.8117 PRESSAVG: 4987800 46.5568 15.3867 97.9417 15.3866 -43.8608 -16.5913 97.9418 -16.5913 -20.7971 GPRESSAVG: 4987800 46.2471 13.8912 96.7006 16.2959 -44.0912 -18.1191 99.2175 -12.3332 -20.215 TIMING: 4987800 CPU: 14799.7, 0.00295434/step Wall: 14799.7, 0.00295434/step, 0.0100119 hours remaining, 209.578125 MB of memory in use. ENERGY: 4987800 785.0557 2098.6045 1931.3575 108.7286 -206194.8844 17872.5081 0.0000 0.0000 34434.0254 -148964.6044 300.7209 -183398.6299 -148859.9920 299.8010 43.4908 74.8573 559257.3861 -6.0337 -6.0197 PRESSURE: 4988000 260.955 -64.6498 -46.0816 -64.6474 27.7531 99.2638 -46.0805 99.2639 -171.026 GPRESSURE: 4988000 298.267 -108.254 -49.3387 -44.1949 77.6035 67.4329 -30.9498 104.035 -161.282 PRESSAVG: 4988000 30.8458 -13.4928 27.4577 -13.4928 59.1846 14.1332 27.4577 14.1332 -55.9939 GPRESSAVG: 4988000 30.2972 -10.6861 29.2669 -14.0137 60.1776 13.202 26.8045 13.3186 -56.4387 TIMING: 4988000 CPU: 14800.3, 0.0029613/step Wall: 14800.3, 0.0029613/step, 0.00987101 hours remaining, 209.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4988000 773.5611 2109.7715 1951.0601 122.4521 -206050.0390 17848.4732 0.0000 0.0000 34302.2632 -148942.4579 299.5702 -183244.7211 -148842.3311 300.1024 39.2272 71.5293 558585.3844 11.3455 11.3454 PRESSURE: 4988200 -426.412 16.6599 95.1788 16.6601 -236.98 11.13 95.1788 11.1289 -423.423 GPRESSURE: 4988200 -386.109 54.2838 132.525 -72.1687 -252.773 -37.1241 79.0601 88.4657 -344.491 PRESSAVG: 4988200 46.2315 -1.77729 32.7737 -1.77725 -19.9785 4.60612 32.7736 4.60604 -31.7362 GPRESSAVG: 4988200 46.478 -3.56771 31.6583 -4.47756 -20.585 4.44795 32.9831 4.89097 -31.4299 TIMING: 4988200 CPU: 14800.9, 0.00292553/step Wall: 14800.9, 0.00292553/step, 0.00958924 hours remaining, 209.578125 MB of memory in use. ENERGY: 4988200 788.7495 2145.8227 1927.1278 118.6954 -205469.9491 17379.9338 0.0000 0.0000 34210.8594 -148898.7606 298.7719 -183109.6200 -148804.9968 300.0610 -362.2715 -327.7909 558730.6025 -1.8277 -1.8456 LDB: ============= START OF LOAD BALANCING ============== 14804.4 LDB: ============== END OF LOAD BALANCING =============== 14804.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14804.4 LDB: ============= START OF LOAD BALANCING ============== 14804.7 LDB: Largest compute 4801 load 0.023444 is 19.8% of average load 0.118328 LDB: Average compute 0.001716 is 1.5% of average load 0.118328 LDB: TIME 14804.7 LOAD: AVG 0.118328 MAX 0.196518 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.551 MB LDB: TIME 14804.7 LOAD: AVG 0.118328 MAX 0.196518 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.555 MB LDB: TIME 14804.7 LOAD: AVG 0.118328 MAX 0.196518 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.555 MB LDB: ============== END OF LOAD BALANCING =============== 14804.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14804.7 PRESSURE: 4988400 -17.8457 -61.9793 117.947 -61.9796 -106.478 -132.738 117.945 -132.738 -90.6928 GPRESSURE: 4988400 34.4011 -115.463 71.9699 -123 -52.2585 -84.8181 36.1464 -192.349 -105.551 PRESSAVG: 4988400 49.3158 5.93992 28.9093 5.93995 5.7117 -30.9393 28.9094 -30.9393 -28.7208 GPRESSAVG: 4988400 49.5291 7.56192 29.9608 7.98893 5.46693 -28.5642 27.3839 -30.0099 -29.139 TIMING: 4988400 CPU: 14801.5, 0.00299324/step Wall: 14801.5, 0.00299324/step, 0.00964489 hours remaining, 210.601562 MB of memory in use. ENERGY: 4988400 769.6708 2071.0968 1942.0276 112.1960 -206168.0224 17746.3380 0.0000 0.0000 34423.5944 -149103.0987 300.6298 -183526.6931 -149002.7415 299.5842 -71.6723 -41.1361 558389.2947 8.7689 8.6190 PRESSURE: 4988600 72.3346 63.9336 96.7729 63.9351 225.728 121.981 96.7741 121.982 73.262 GPRESSURE: 4988600 114.52 11.9437 162.227 39.5677 268.071 213.49 -9.90999 87.433 83.8815 PRESSAVG: 4988600 33.9307 -27.5948 23.9706 -27.5947 -5.68692 -22.2805 23.9705 -22.2805 19.1148 GPRESSAVG: 4988600 33.9095 -30.2243 23.2633 -27.6365 -6.78613 -21.7663 23.4452 -24.6967 19.4791 TIMING: 4988600 CPU: 14802.1, 0.00292622/step Wall: 14802.1, 0.00292622/step, 0.00926637 hours remaining, 210.925781 MB of memory in use. ENERGY: 4988600 714.1002 2071.0285 1948.6090 111.7906 -206316.8995 17970.9581 0.0000 0.0000 34311.5527 -149188.8603 299.6513 -183500.4130 -149087.4320 299.7258 123.7749 155.4908 557298.6693 15.7862 15.5342 PRESSURE: 4988800 -189.746 -144.863 -151.768 -144.862 117.102 -56.8416 -151.769 -56.8416 2.38744 GPRESSURE: 4988800 -166.499 -98.8016 -116.204 -236.821 147.182 -122.262 -102.543 15.9617 44.1855 PRESSAVG: 4988800 -15.7769 -33.788 -11.2715 -33.7879 36.464 -3.52747 -11.2715 -3.52753 -3.02833 GPRESSAVG: 4988800 -14.0433 -32.2329 -11.3344 -34.8077 35.0957 -5.70788 -9.14289 -1.63157 -3.27067 TIMING: 4988800 CPU: 14802.7, 0.00291789/step Wall: 14802.7, 0.00291789/step, 0.00907789 hours remaining, 210.996094 MB of memory in use. ENERGY: 4988800 768.5560 2031.8809 1956.3841 105.3650 -205887.0571 17617.7673 0.0000 0.0000 34325.0913 -149082.0125 299.7696 -183407.1038 -148982.6964 299.5064 -23.4188 8.2895 557497.2091 5.8862 5.9273 PRESSURE: 4989000 79.057 -313.283 12.597 -313.283 78.6366 42.6733 12.598 42.6719 264.635 GPRESSURE: 4989000 48.6596 -212.062 44.1205 -302.078 184.565 -45.0875 52.3501 10.2335 279.57 PRESSAVG: 4989000 -85.4505 -65.5861 1.87401 -65.5862 31.7664 32.3128 1.87405 32.3128 31.5776 GPRESSAVG: 4989000 -85.8421 -65.6048 3.97664 -66.5533 32.7544 33.9548 0.256939 28.682 30.8407 TIMING: 4989000 CPU: 14803.2, 0.00290787/step Wall: 14803.2, 0.00290787/step, 0.00888515 hours remaining, 210.996094 MB of memory in use. ENERGY: 4989000 701.2599 2052.3281 1950.2112 105.4011 -206228.8855 17966.7712 0.0000 0.0000 34364.4585 -149088.4554 300.1134 -183452.9139 -148989.1262 299.8345 140.7762 170.9315 557591.2424 -7.3688 -7.4157 PRESSURE: 4989200 7.0386 -10.0397 53.9055 -10.0398 -17.5714 237.146 53.9051 237.145 -161.189 GPRESSURE: 4989200 53.0647 47.7062 100.392 -29.3234 -7.25617 189.085 28.4378 216.874 -115.431 PRESSAVG: 4989200 -91.6854 18.9458 -31.8342 18.9458 16.8909 43.6357 -31.8341 43.6357 27.7626 GPRESSAVG: 4989200 -93.6624 19.6526 -32.1868 19.5999 18.6387 43.6889 -32.7607 42.9853 28.7343 TIMING: 4989200 CPU: 14803.8, 0.00291845/step Wall: 14803.8, 0.00291845/step, 0.00875535 hours remaining, 210.996094 MB of memory in use. ENERGY: 4989200 791.1755 2073.0448 1913.2302 122.1171 -206268.4446 17803.0723 0.0000 0.0000 34448.2207 -149117.5840 300.8449 -183565.8048 -149025.1060 300.0549 -57.2405 -23.2073 557754.2450 -15.6773 -15.4298 PRESSURE: 4989400 86.2711 165.604 2.15668 165.603 266.083 40.0203 2.15748 40.0187 -18.4658 GPRESSURE: 4989400 122.7 149.127 5.31912 126.791 281.263 114.796 -3.3187 116.02 19.6447 PRESSAVG: 4989400 26.713 -9.84564 -26.943 -9.84565 -19.2619 25.7638 -26.943 25.7639 13.762 GPRESSAVG: 4989400 27.2329 -10.3303 -29.5332 -7.94526 -19.5938 24.4423 -24.869 29.321 14.0369 TIMING: 4989400 CPU: 14804.4, 0.00294233/step Wall: 14804.4, 0.00294233/step, 0.00866352 hours remaining, 210.996094 MB of memory in use. ENERGY: 4989400 729.5483 2079.2775 1918.6564 111.0209 -206081.3703 17856.8023 0.0000 0.0000 34307.9182 -149078.1468 299.6196 -183386.0650 -148980.6996 298.9267 111.2960 141.2023 557162.7591 7.0710 7.2253 PRESSURE: 4989600 -85.6754 -126.163 47.1908 -126.162 -130.94 -45.4677 47.1896 -45.4661 -80.9537 GPRESSURE: 4989600 -31.5655 -249.264 109.562 -72.6911 -55.2249 -33.3969 57.6915 -68.4941 -110.074 PRESSAVG: 4989600 10.1374 17.8296 -44.6835 17.8296 -14.0521 6.89869 -44.6835 6.89862 -3.11688 GPRESSAVG: 4989600 11.1514 16.1019 -43.0274 17.124 -14.3499 8.21277 -46.0893 6.24941 -3.77587 TIMING: 4989600 CPU: 14805, 0.00293736/step Wall: 14805, 0.00293736/step, 0.0084857 hours remaining, 210.996094 MB of memory in use. ENERGY: 4989600 763.0049 2055.1722 1926.9133 114.4984 -205924.4532 17617.3155 0.0000 0.0000 34382.3365 -149065.2122 300.2695 -183447.5487 -148974.9935 299.4029 -99.1897 -65.6214 556896.5149 -2.3439 -2.3248 PRESSURE: 4989800 -77.3638 36.368 153.216 36.3677 -263.392 -92.1801 153.215 -92.1791 -98.7043 GPRESSURE: 4989800 -27.5393 31.7537 101.059 19.8682 -276.121 -103.565 145.834 -86.4271 -37.0835 PRESSAVG: 4989800 46.4238 24.3011 9.56659 24.3012 -52.4911 4.72232 9.56657 4.72234 30.3179 GPRESSAVG: 4989800 47.3012 25.2226 11.7109 24.8231 -54.3177 4.13886 10.2838 4.97378 31.7076 TIMING: 4989800 CPU: 14805.6, 0.0029309/step Wall: 14805.6, 0.0029309/step, 0.00830423 hours remaining, 210.996094 MB of memory in use. ENERGY: 4989800 746.2272 2096.0894 1941.2867 112.1182 -206082.6375 17710.3931 0.0000 0.0000 34417.9533 -149058.5697 300.5805 -183476.5230 -148966.4886 299.8900 -146.4866 -113.5814 558912.9803 8.0835 8.2304 PRESSURE: 4990000 10.3916 -113.877 -41.2371 -113.877 -130.418 12.1449 -41.237 12.1455 30.0957 GPRESSURE: 4990000 -12.0019 -117.974 -108.372 -50.0114 -63.6099 33.4687 4.81079 56.2775 73.1993 PRESSAVG: 4990000 68.1842 49.8817 9.33751 49.8818 -14.4976 45.5404 9.33751 45.5403 -53.2217 GPRESSAVG: 4990000 66.4556 51.3131 8.0163 49.7826 -13.5589 47.4271 9.83989 44.8088 -52.081 TIMING: 4990000 CPU: 14806.2, 0.00293374/step Wall: 14806.2, 0.00293374/step, 0.00814928 hours remaining, 210.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4990000 752.5439 2061.6566 1936.1161 104.7721 -206027.5495 17741.7319 0.0000 0.0000 34459.6519 -148971.0770 300.9447 -183430.7289 -148871.2870 299.9657 -29.9769 -0.8042 558882.2772 0.1549 0.2719 PRESSURE: 4990200 82.9529 38.9261 107.163 38.9258 72.4038 -154.582 107.163 -154.58 192.887 GPRESSURE: 4990200 170.733 -39.281 153.019 21.4687 116.163 -164.554 67.6739 -88.5354 162.541 PRESSAVG: 4990200 27.4042 40.8683 53.0041 40.8682 10.4334 33.7253 53.0042 33.7253 -30.6926 GPRESSAVG: 4990200 27.6776 41.6797 51.3965 40.7174 12.5627 31.1217 52.3259 34.9235 -32.5209 TIMING: 4990200 CPU: 14806.8, 0.00294611/step Wall: 14806.8, 0.00294611/step, 0.00801998 hours remaining, 210.996094 MB of memory in use. ENERGY: 4990200 748.7529 2089.4421 1943.2940 124.3074 -206258.7858 18118.6144 0.0000 0.0000 34303.5098 -148930.8651 299.5811 -183234.3749 -148839.6471 300.4807 116.0811 149.8125 558540.8332 2.3817 2.5731 PRESSURE: 4990400 168.394 158.295 77.8014 158.296 -53.3906 73.3989 77.8009 73.3984 -3.15991 GPRESSURE: 4990400 239.751 130.716 118.27 166.791 -55.338 24.6096 15.1581 129.776 37.2357 PRESSAVG: 4990400 51.6054 13.1055 73.3763 13.1055 3.4559 17.4793 73.3763 17.4793 -35.2189 GPRESSAVG: 4990400 50.7813 11.5773 75.206 12.9983 3.41161 20.4176 73.6572 15.5018 -34.2727 TIMING: 4990400 CPU: 14807.4, 0.00296277/step Wall: 14807.4, 0.00296277/step, 0.00790072 hours remaining, 210.996094 MB of memory in use. ENERGY: 4990400 752.9899 2108.8444 1921.4888 110.1744 -205991.5263 17866.9938 0.0000 0.0000 34338.4021 -148892.6329 299.8858 -183231.0350 -148798.9850 299.6920 37.2811 73.8830 558253.9749 6.6141 6.6401 PRESSURE: 4990600 -125.936 -60.061 54.3581 -60.0605 139.308 13.587 54.358 13.588 330.272 GPRESSURE: 4990600 -56.6241 -30.0132 47.3743 -23.0551 122.275 32.5406 43.1921 1.72247 371.395 PRESSAVG: 4990600 -15.2927 21.2109 0.35657 21.2109 3.18105 -33.0248 0.35647 -33.0248 5.16491 GPRESSAVG: 4990600 -13.1918 21.9451 -1.04632 20.433 2.69373 -35.058 0.298894 -30.3245 3.53495 TIMING: 4990600 CPU: 14807.9, 0.00299379/step Wall: 14807.9, 0.00299379/step, 0.00781712 hours remaining, 210.996094 MB of memory in use. ENERGY: 4990600 766.9546 2098.5675 1926.8051 125.6249 -206050.2424 17919.0045 0.0000 0.0000 34258.8680 -148954.4178 299.1912 -183213.2858 -148863.2057 299.9103 114.5483 145.6817 558177.5748 -2.3156 -2.3210 PRESSURE: 4990800 207.061 91.0947 87.4167 91.0943 120.594 -28.2731 87.4155 -28.2727 -27.0169 GPRESSURE: 4990800 180.182 136.938 121.859 -76.4249 154.045 -40.0004 41.0693 -14.105 71.0166 PRESSAVG: 4990800 -20.0669 57.6588 33.838 57.6587 78.6398 -59.9177 33.838 -59.9178 -23.7112 GPRESSAVG: 4990800 -20.7701 58.3587 32.0595 57.8735 78.6065 -59.7484 35.4073 -61.9464 -23.0418 TIMING: 4990800 CPU: 14808.5, 0.00294102/step Wall: 14808.5, 0.00294102/step, 0.00751594 hours remaining, 210.996094 MB of memory in use. ENERGY: 4990800 720.9518 2062.0932 1938.8603 113.7493 -205841.1975 17731.6415 0.0000 0.0000 34357.6507 -148916.2507 300.0539 -183273.9014 -148825.0017 299.9098 100.2128 135.0812 557408.7269 11.6206 11.5982 PRESSURE: 4991000 -76.2153 -69.8463 -24.9605 -69.8457 -204.058 18.4922 -24.9591 18.4953 -159.747 GPRESSURE: 4991000 -48.952 -61.5386 -37.7827 -52.2703 -214.026 -26.4115 -13.3992 -26.3673 -75.4663 PRESSAVG: 4991000 -11.2522 -10.104 -3.41765 -10.104 25.4891 -5.0451 -3.41759 -5.04523 24.3567 GPRESSAVG: 4991000 -11.8534 -12.5943 -3.11869 -8.21592 24.9884 -5.92349 -5.06137 -4.85268 25.4759 TIMING: 4991000 CPU: 14809.1, 0.00295172/step Wall: 14809.1, 0.00295172/step, 0.00737929 hours remaining, 210.996094 MB of memory in use. ENERGY: 4991000 767.5483 2096.5474 1928.0296 106.4565 -206136.6389 17786.3811 0.0000 0.0000 34314.1617 -149137.5142 299.6741 -183451.6759 -149036.4512 299.5734 -146.6734 -112.8148 557864.4901 12.8645 12.8703 PRESSURE: 4991200 -174.102 -227.172 -45.8776 -227.17 77.2703 87.4939 -45.8783 87.4939 85.47 GPRESSURE: 4991200 -86.3549 -242.238 99.4498 -151.386 88.2696 123.734 -54.3337 95.4264 75.2034 PRESSAVG: 4991200 -6.2411 -8.47234 35.8017 -8.47238 -7.60194 -49.2222 35.8017 -49.2222 -23.2677 GPRESSAVG: 4991200 -5.29208 -8.19289 36.4054 -9.47834 -7.46812 -50.94 36.5689 -48.4236 -24.2508 TIMING: 4991200 CPU: 14809.7, 0.00296134/step Wall: 14809.7, 0.00296134/step, 0.00723883 hours remaining, 210.996094 MB of memory in use. ENERGY: 4991200 762.5867 2051.7100 1924.8637 125.2167 -206233.1080 17981.7200 0.0000 0.0000 34125.8279 -149261.1829 298.0293 -183387.0109 -149161.6148 299.0164 -3.7872 25.7060 558684.6059 -12.3703 -12.3370 PRESSURE: 4991400 -109.956 -76.2876 11.5233 -76.2874 -125.154 -102.044 11.5229 -102.046 -279.221 GPRESSURE: 4991400 -117.34 -101.716 34.1016 1.31757 -25.857 9.3038 32.3185 -140.389 -267.09 PRESSAVG: 4991400 -63.2998 -60.5502 7.87725 -60.5502 69.5954 -31.9367 7.87732 -31.9368 0.103748 GPRESSAVG: 4991400 -62.3311 -59.87 8.67216 -58.9744 69.6672 -30.6266 7.20401 -32.5297 -0.628487 TIMING: 4991400 CPU: 14810.3, 0.00298118/step Wall: 14810.3, 0.00298118/step, 0.00712171 hours remaining, 210.996094 MB of memory in use. ENERGY: 4991400 750.5112 2122.1892 1929.0430 107.2517 -206035.8123 17640.6219 0.0000 0.0000 34364.3995 -149121.7957 300.1128 -183486.1952 -149032.0356 299.0067 -171.4440 -136.7621 558786.2724 2.1331 2.2359 PRESSURE: 4991600 -321.515 21.8926 63.7714 21.8947 165.936 340.431 63.7721 340.431 -295.323 GPRESSURE: 4991600 -284.791 63.4684 3.08278 25.1592 211.219 306.686 97.0458 312.381 -265.525 PRESSAVG: 4991600 -10.8682 -26.0573 -4.28059 -26.0572 40.3646 -23.8647 -4.28058 -23.8647 -10.0405 GPRESSAVG: 4991600 -12.4136 -25.7992 -4.63982 -28.5581 41.1014 -23.8349 -3.68659 -24.734 -9.11154 TIMING: 4991600 CPU: 14810.9, 0.00294135/step Wall: 14810.9, 0.00294135/step, 0.00686315 hours remaining, 210.996094 MB of memory in use. ENERGY: 4991600 785.7618 2126.5647 1943.0083 112.9924 -205766.8967 17774.1221 0.0000 0.0000 34119.4070 -148905.0404 297.9733 -183024.4474 -148810.9485 299.7100 -150.3006 -113.0324 558752.0015 6.4853 6.5254 PRESSURE: 4991800 -66.2048 -1.49991 -139.308 -1.49869 -145.256 -113.028 -139.309 -113.027 -45.2264 GPRESSURE: 4991800 41.1946 12.0745 -160.438 77.9055 -185.858 -44.3055 -57.3638 -104.27 -13.1876 PRESSAVG: 4991800 5.99501 -40.5974 27.4041 -40.5975 6.03111 -1.55523 27.4042 -1.55507 -39.5898 GPRESSAVG: 4991800 6.73163 -40.8019 29.5273 -38.4269 6.07726 -0.631864 26.4789 -1.30407 -39.9293 TIMING: 4991800 CPU: 14811.5, 0.0029478/step Wall: 14811.5, 0.0029478/step, 0.00671443 hours remaining, 210.996094 MB of memory in use. ENERGY: 4991800 731.1224 2150.0214 1972.8685 105.6191 -206022.6285 17792.2273 0.0000 0.0000 34195.3544 -149075.4155 298.6365 -183270.7698 -148978.8344 300.0670 -85.5623 -52.6169 557716.7544 -9.1879 -9.0401 PRESSURE: 4992000 2.26063 -135.708 4.57968 -135.707 6.76112 -33.4807 4.58085 -33.4819 84.3173 GPRESSURE: 4992000 65.8785 -162.147 -20.8313 -140.857 23.8926 -23.5028 -65.8613 -45.7338 102.192 PRESSAVG: 4992000 -31.5476 -6.90635 7.00846 -6.90637 15.0587 -50.8249 7.00846 -50.8249 37.2858 GPRESSAVG: 4992000 -32.2861 -5.92911 4.15699 -8.34243 14.9625 -52.3301 8.3703 -51.484 37.9386 TIMING: 4992000 CPU: 14812.1, 0.00295776/step Wall: 14812.1, 0.00295776/step, 0.0065728 hours remaining, 210.996094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4992000 702.1275 2217.0357 1932.3390 126.5583 -206229.9376 17781.9959 0.0000 0.0000 34505.4723 -148964.4090 301.3449 -183469.8812 -148872.3759 299.9167 31.1130 63.9878 556177.1379 6.9323 6.8717 PRESSURE: 4992200 -74.8929 -125.903 78.1517 -125.903 -199.492 12.4058 78.1508 12.4046 267.501 GPRESSURE: 4992200 29.4612 -280.912 -23.2296 -103.089 -202.288 -81.0081 133.231 112.358 271.984 PRESSAVG: 4992200 -53.3858 -77.5647 -3.93732 -77.5646 -36.4988 -60.9813 -3.93731 -60.9813 60.7275 GPRESSAVG: 4992200 -51.2101 -79.5398 -2.88444 -77.806 -36.4282 -60.981 -4.1628 -58.8334 59.1422 TIMING: 4992200 CPU: 14812.7, 0.00296659/step Wall: 14812.7, 0.00296659/step, 0.00642762 hours remaining, 210.996094 MB of memory in use. ENERGY: 4992200 771.0486 2124.8562 1899.8023 120.5755 -205963.5508 17813.1725 0.0000 0.0000 34237.6569 -148996.4388 299.0060 -183234.0957 -148896.2396 300.3792 -2.2946 33.0526 557198.7830 -9.7190 -9.4987 LDB: ============= START OF LOAD BALANCING ============== 14816.2 LDB: ============== END OF LOAD BALANCING =============== 14816.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14816.2 LDB: ============= START OF LOAD BALANCING ============== 14816.5 LDB: Largest compute 4801 load 0.022128 is 18.7% of average load 0.118317 LDB: Average compute 0.001725 is 1.5% of average load 0.118317 LDB: TIME 14816.5 LOAD: AVG 0.118317 MAX 0.197254 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.773 MB LDB: TIME 14816.5 LOAD: AVG 0.118317 MAX 0.197254 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.777 MB LDB: TIME 14816.5 LOAD: AVG 0.118317 MAX 0.197254 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.777 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14816.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14816.5 PRESSURE: 4992400 -108.68 17.5527 -89.8179 17.5513 -335.557 -71.5235 -89.8174 -71.5239 -126.101 GPRESSURE: 4992400 -48.2348 92.003 -8.30013 -56.355 -367.697 -159.295 -75.502 -59.2116 -51.9079 PRESSAVG: 4992400 -55.1625 -31.252 -12.063 -31.252 -11.6364 -2.00364 -12.0631 -2.00359 36.1867 GPRESSAVG: 4992400 -56.3703 -29.2672 -12.9979 -30.8241 -12.1786 -2.73877 -9.95874 -1.9844 37.4382 TIMING: 4992400 CPU: 14813.3, 0.00302291/step Wall: 14813.3, 0.00302291/step, 0.0063817 hours remaining, 210.925781 MB of memory in use. ENERGY: 4992400 728.9884 2130.1732 1968.4649 132.8497 -205793.0040 17458.3418 0.0000 0.0000 34486.9927 -148887.1933 301.1835 -183374.1860 -148793.8298 300.2149 -190.1126 -155.9465 557103.7680 -10.2041 -10.3702 PRESSURE: 4992600 -173.74 3.08277 -19.92 3.08262 -140.65 41.5367 -19.9187 41.5385 -227.014 GPRESSURE: 4992600 -161.384 72.2336 -35.0038 80.2597 -107.952 75.7395 -26.0961 56.9879 -188.929 PRESSAVG: 4992600 -31.092 -14.2112 -24.2291 -14.2111 -5.32327 12.3518 -24.229 12.3518 27.8861 GPRESSAVG: 4992600 -32.3103 -13.9249 -23.1103 -14.6891 -4.63486 16.7008 -26.5157 10.629 27.9645 TIMING: 4992600 CPU: 14813.9, 0.00295263/step Wall: 14813.9, 0.00295263/step, 0.00606929 hours remaining, 210.925781 MB of memory in use. ENERGY: 4992600 767.4238 2124.5800 1903.9979 122.7292 -206110.4633 17698.2308 0.0000 0.0000 34428.7369 -149064.7647 300.6747 -183493.5016 -148964.8315 300.0577 -180.4678 -152.7553 557338.3025 -2.8431 -2.9935 PRESSURE: 4992800 -196.579 5.27391 -118.922 5.27311 -306.393 4.81949 -118.923 4.82003 145.288 GPRESSURE: 4992800 -113.185 -1.19019 -139.862 -20.8325 -316.334 -16.1551 -89.6716 16.9449 166.878 PRESSAVG: 4992800 -9.93556 -12.6088 -71.6487 -12.6087 -59.5655 -0.42584 -71.6487 -0.426056 56.3053 GPRESSAVG: 4992800 -9.1074 -13.6888 -71.7416 -14.9729 -59.3972 -4.98465 -70.1841 0.330518 55.1493 TIMING: 4992800 CPU: 14814.5, 0.00293016/step Wall: 14814.5, 0.00293016/step, 0.00586033 hours remaining, 210.925781 MB of memory in use. ENERGY: 4992800 737.5437 2063.4270 1898.4520 115.6708 -205424.0082 17595.8571 0.0000 0.0000 34015.0255 -148998.0321 297.0617 -183013.0576 -148899.4115 299.5526 -119.2280 -87.5472 557203.9418 -4.3986 -4.4518 PRESSURE: 4993000 26.697 -58.0645 132.885 -58.0628 -142.6 119.089 132.885 119.088 -127.747 GPRESSURE: 4993000 24.7517 -24.744 160.181 -102.499 -105.203 88.1622 117.418 62.1851 -64.4866 PRESSAVG: 4993000 11.3507 -9.60428 45.8128 -9.60431 -75.2878 27.7689 45.8128 27.7689 94.1472 GPRESSAVG: 4993000 11.14 -9.2935 45.4334 -8.29649 -74.4521 30.5579 43.2384 26.6608 94.5323 TIMING: 4993000 CPU: 14815, 0.00294619/step Wall: 14815, 0.00294619/step, 0.0057287 hours remaining, 210.925781 MB of memory in use. ENERGY: 4993000 788.2944 2049.2774 1916.3226 110.5660 -205912.0120 17722.0534 0.0000 0.0000 34340.9134 -148984.5848 299.9077 -183325.4982 -148885.4309 300.0858 -81.2169 -48.3128 557237.4777 10.0700 10.4067 PRESSURE: 4993200 49.3653 49.9333 101.213 49.9314 129.237 39.1734 101.213 39.1743 -249.672 GPRESSURE: 4993200 133.22 15.7737 91.6305 47.2519 119.671 107.6 82.7029 -28.7004 -225.462 PRESSAVG: 4993200 18.6903 -34.4686 -14.9412 -34.4686 30.1848 6.30217 -14.9412 6.30208 -21.0755 GPRESSAVG: 4993200 18.5154 -37.0694 -15.0566 -31.3078 29.7655 7.04801 -13.4646 8.66465 -20.9605 TIMING: 4993200 CPU: 14815.6, 0.00295459/step Wall: 14815.6, 0.00295459/step, 0.0055809 hours remaining, 211.121094 MB of memory in use. ENERGY: 4993200 767.3714 2069.2327 1930.1177 114.7310 -206102.6946 17901.7504 0.0000 0.0000 34276.2732 -149043.2182 299.3432 -183319.4915 -148939.4728 300.0249 -23.6899 9.1428 558271.0058 9.2665 9.1068 PRESSURE: 4993400 2.60584 -101.087 136.234 -101.086 88.0589 11.157 136.232 11.1564 145.793 GPRESSURE: 4993400 24.0626 -76.0667 155 -106.649 122.962 13.8709 89.1211 -49.9874 192.029 PRESSAVG: 4993400 -26.1605 -48.9351 -3.18511 -48.9351 -24.3365 28.1425 -3.18512 28.1424 48.9387 GPRESSAVG: 4993400 -25.6829 -46.5254 -1.27653 -51.9366 -24.0703 26.904 -4.79849 28.0771 48.6027 TIMING: 4993400 CPU: 14816.2, 0.0029507/step Wall: 14816.2, 0.0029507/step, 0.00540962 hours remaining, 211.121094 MB of memory in use. ENERGY: 4993400 712.1431 2094.0411 1925.3282 126.8099 -206296.4636 18046.0886 0.0000 0.0000 34353.5271 -149038.5255 300.0179 -183392.0526 -148943.7919 299.2264 78.8191 113.0179 558184.6962 -0.5194 -0.3835 PRESSURE: 4993600 -60.6862 3.1141 14.413 3.11335 -5.32244 79.3739 14.4124 79.3738 246.902 GPRESSURE: 4993600 -66.2004 -15.1772 -4.1943 -56.202 69.3935 33.3084 -6.55364 113.512 268.613 PRESSAVG: 4993600 -7.69037 -3.89231 24.7552 -3.89229 -14.0517 33.1686 24.7553 33.1686 41.6866 GPRESSAVG: 4993600 -7.74009 -4.04051 21.2179 -2.66148 -14.2076 31.726 27.0856 32.1867 42.0769 TIMING: 4993600 CPU: 14816.8, 0.00293706/step Wall: 14816.8, 0.00293706/step, 0.00522144 hours remaining, 211.121094 MB of memory in use. ENERGY: 4993600 723.3811 2094.9779 1912.1151 113.4739 -206234.9838 18016.5304 0.0000 0.0000 34441.4307 -148933.0747 300.7856 -183374.5054 -148836.4230 299.2254 60.2979 90.6021 558824.7875 6.6482 6.7097 PRESSURE: 4993800 205.991 28.0121 58.3708 28.0109 100.704 -145.026 58.3715 -145.025 240.885 GPRESSURE: 4993800 254.417 28.7364 111.411 54.5386 122.473 -135.465 46.1384 -143.516 263.888 PRESSAVG: 4993800 -41.701 -67.4458 51.212 -67.4459 -5.06926 -14.5283 51.212 -14.5283 34.5359 GPRESSAVG: 4993800 -42.2136 -69.769 54.3417 -64.0009 -5.79671 -12.7486 49.0343 -12.6739 35.8227 TIMING: 4993800 CPU: 14817.4, 0.0029416/step Wall: 14817.4, 0.0029416/step, 0.00506609 hours remaining, 211.121094 MB of memory in use. ENERGY: 4993800 695.4548 2093.0428 1916.7239 112.1226 -206109.1989 18044.3064 0.0000 0.0000 34283.4921 -148964.0563 299.4063 -183247.5484 -148868.5805 299.4532 182.5268 213.5928 558254.6202 -4.0781 -4.0625 PRESSURE: 4994000 160.269 -88.2515 103.705 -88.2527 -56.0756 60.8759 103.706 60.8752 193.95 GPRESSURE: 4994000 223.927 -147.174 32.0525 -9.72683 -36.5142 -73.2333 89.4198 76.9812 206.924 PRESSAVG: 4994000 31.6454 -47.8742 14.3721 -47.8741 -63.46 -41.6047 14.3722 -41.6047 50.7188 GPRESSAVG: 4994000 32.8722 -45.7951 12.5559 -50.7701 -63.3639 -40.2554 16.3832 -44.3024 49.8938 TIMING: 4994000 CPU: 14818, 0.00294775/step Wall: 14818, 0.00294775/step, 0.00491291 hours remaining, 211.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4994000 732.8804 2123.7925 1910.7168 107.0918 -206339.3642 17995.4317 0.0000 0.0000 34494.3878 -148975.0631 301.2481 -183469.4510 -148880.0219 300.2220 99.3812 131.4456 558127.5859 6.3014 6.4674 PRESSURE: 4994200 -303.113 91.2384 27.1375 91.2388 -84.9742 -95.8647 27.1377 -95.8636 -534.712 GPRESSURE: 4994200 -266.989 94.5789 -17.0434 135.859 -70.5146 -13.5562 123.875 -130.856 -475.488 PRESSAVG: 4994200 10.2902 -43.1613 24.765 -43.1613 -37.0794 -29.8695 24.765 -29.8695 21.6546 GPRESSAVG: 4994200 10.3609 -44.9461 24.6877 -43.1768 -37.6654 -32.4422 24.4992 -28.1286 21.8052 TIMING: 4994200 CPU: 14818.6, 0.00292859/step Wall: 14818.6, 0.00292859/step, 0.00471829 hours remaining, 211.121094 MB of memory in use. ENERGY: 4994200 749.9653 2103.0286 1905.6579 108.0986 -205038.2006 17274.2851 0.0000 0.0000 34135.6964 -148761.4689 298.1155 -182897.1652 -148668.3966 300.2963 -307.5997 -270.9971 559265.6229 -1.7115 -1.8331 PRESSURE: 4994400 104.965 74.7058 128.429 74.706 0.291508 -15.3265 128.429 -15.3258 97.5365 GPRESSURE: 4994400 138.153 108.074 135.535 49.3922 15.9101 2.22677 153.321 38.351 146.267 PRESSAVG: 4994400 29.8344 -32.8288 28.0589 -32.8288 -30.4059 -3.25825 28.0589 -3.25806 8.2921 GPRESSAVG: 4994400 29.0398 -31.1681 28.3159 -33.0609 -29.3534 -1.47682 29.927 -3.45443 7.42409 TIMING: 4994400 CPU: 14819.2, 0.00294793/step Wall: 14819.2, 0.00294793/step, 0.00458566 hours remaining, 211.121094 MB of memory in use. ENERGY: 4994400 722.7889 2109.7222 1931.7224 125.6732 -206051.2452 17903.4033 0.0000 0.0000 34339.6205 -148918.3146 299.8964 -183257.9351 -148821.2473 299.7652 67.5976 100.1099 557452.9802 2.5735 2.3702 PRESSURE: 4994600 -229.391 -49.1692 -7.80755 -49.1692 -259.039 8.18111 -7.80849 8.18035 -48.7429 GPRESSURE: 4994600 -203.507 -50.4571 -19.9366 -20.7958 -239.215 -4.75798 38.9132 9.29152 12.9879 PRESSAVG: 4994600 -49.2378 -22.5837 15.0872 -22.5837 -30.4432 -17.3596 15.0872 -17.3595 34.4752 GPRESSAVG: 4994600 -49.5046 -23.6467 14.4761 -21.8238 -30.6077 -16.8987 13.3518 -19.7 35.3103 TIMING: 4994600 CPU: 14819.8, 0.00293755/step Wall: 14819.8, 0.00293755/step, 0.00440632 hours remaining, 211.121094 MB of memory in use. ENERGY: 4994600 746.8417 2121.2087 1936.2773 105.4924 -205815.3036 17453.3353 0.0000 0.0000 34474.4410 -148977.7072 301.0739 -183452.1482 -148877.5117 299.9810 -179.0577 -143.2445 558900.4941 -15.0686 -14.9340 PRESSURE: 4994800 -145.84 -124.898 10.7404 -124.897 -37.2033 45.763 10.7397 45.7616 -0.638307 GPRESSURE: 4994800 -94.6773 -70.9958 -103.906 -71.3826 -30.1858 -22.2804 51.7091 52.3239 41.228 PRESSAVG: 4994800 34.4632 -11.9457 16.432 -11.9458 -61.7128 -4.58452 16.4319 -4.58468 46.7112 GPRESSAVG: 4994800 34.9052 -11.925 16.6202 -12.2199 -61.84 -4.70375 15.0871 -3.16304 47.1224 TIMING: 4994800 CPU: 14820.3, 0.00293828/step Wall: 14820.3, 0.00293828/step, 0.00424419 hours remaining, 211.121094 MB of memory in use. ENERGY: 4994800 762.0146 2091.2347 1948.9969 102.6274 -205778.7894 17580.2527 0.0000 0.0000 34249.5510 -149044.1121 299.1098 -183293.6631 -148938.9599 300.3492 -61.2274 -27.8784 558275.6457 6.4872 6.7292 PRESSURE: 4995000 -219.004 -175.427 -249.144 -175.428 -298.702 -104.206 -249.145 -104.205 41.0298 GPRESSURE: 4995000 -265.28 -77.1974 -276.322 -194.899 -240.318 -124.079 -248.037 -107.221 121.915 PRESSAVG: 4995000 -5.30447 9.51261 -10.6874 9.51255 -12.3836 39.2859 -10.6875 39.2859 44.8617 GPRESSAVG: 4995000 -5.12557 9.21505 -10.7886 9.19701 -13.3938 39.4967 -9.7553 39.9624 45.6059 TIMING: 4995000 CPU: 14820.9, 0.00293598/step Wall: 14820.9, 0.00293598/step, 0.00407775 hours remaining, 211.121094 MB of memory in use. ENERGY: 4995000 765.5634 2112.5815 1933.9778 120.3785 -205644.4301 17553.2027 0.0000 0.0000 34151.9390 -149006.7872 298.2574 -183158.7262 -148903.6397 299.6382 -158.8919 -127.8944 558665.9592 9.0579 9.0288 PRESSURE: 4995200 -178.625 103.332 -10.1925 103.333 183.355 15.4938 -10.1929 15.4951 8.91756 GPRESSURE: 4995200 -176.634 128.047 59.8015 109.415 262.735 -26.2779 -40.3332 -9.36956 15.9979 PRESSAVG: 4995200 18.2391 13.5009 -37.762 13.5009 20.9321 8.31827 -37.7619 8.31841 -77.3643 GPRESSAVG: 4995200 17.327 15.4895 -38.1659 12.2328 22.6385 7.94812 -37.4832 7.5737 -78.3599 TIMING: 4995200 CPU: 14821.5, 0.00294935/step Wall: 14821.5, 0.00294935/step, 0.00393246 hours remaining, 211.121094 MB of memory in use. ENERGY: 4995200 746.9083 2077.3343 1948.0371 112.5468 -206382.0010 17881.4709 0.0000 0.0000 34390.5273 -149225.1763 300.3410 -183615.7036 -149132.3217 299.8234 4.5492 34.0328 558019.8470 -12.7310 -12.7981 PRESSURE: 4995400 175.756 262.203 -50.5035 262.203 -43.7094 -129.374 -50.5031 -129.374 -1.17653 GPRESSURE: 4995400 244.304 230.837 58.7934 284.037 -14.3191 -74.767 -86.875 -132.643 -13.091 PRESSAVG: 4995400 28.1348 39.4765 104.054 39.4766 34.5442 -30.9506 104.054 -30.9505 -74.9239 GPRESSAVG: 4995400 28.6838 37.9542 104.528 39.9922 34.3897 -32.4292 106.141 -30.2009 -75.5675 TIMING: 4995400 CPU: 14822.1, 0.00295502/step Wall: 14822.1, 0.00295502/step, 0.00377586 hours remaining, 211.121094 MB of memory in use. ENERGY: 4995400 724.5285 2091.5011 1951.2354 108.3772 -206024.3899 17864.9502 0.0000 0.0000 34052.5241 -149231.2733 297.3892 -183283.7974 -149133.3243 298.2660 43.6234 72.2978 558253.3807 -4.0816 -4.1647 PRESSURE: 4995600 183.061 -82.0492 -62.1296 -82.0482 117.864 -142.045 -62.1295 -142.043 -120.345 GPRESSURE: 4995600 241.269 -109.38 -25.8926 1.66087 100.679 -24.4633 -62.9348 -114.792 -64.6814 PRESSAVG: 4995600 13.1174 36.7196 -5.08189 36.7197 20.0117 -64.0207 -5.08197 -64.0207 -77.8262 GPRESSAVG: 4995600 12.8824 36.8142 -6.26634 36.3809 19.5467 -64.4574 -7.9361 -63.8801 -77.4652 TIMING: 4995600 CPU: 14822.7, 0.0029451/step Wall: 14822.7, 0.0029451/step, 0.00359956 hours remaining, 211.121094 MB of memory in use. ENERGY: 4995600 779.2033 2094.3480 1918.9628 112.1979 -206291.9190 17831.6107 0.0000 0.0000 34479.1735 -149076.4229 301.1152 -183555.5964 -148988.2352 299.4257 60.1931 92.4220 557245.9423 -14.8990 -15.0120 PRESSURE: 4995800 -277.419 -60.2787 90.3015 -60.2776 -197.083 -130.177 90.3021 -130.176 -115.145 GPRESSURE: 4995800 -300.86 -34.5647 70.4082 -54.2484 -63.9169 -119.428 110.909 -94.4591 -118.375 PRESSAVG: 4995800 26.1042 3.14211 -6.63764 3.14213 22.6662 -44.5986 -6.6376 -44.5985 0.882713 GPRESSAVG: 4995800 25.6743 2.79593 -6.03885 3.84618 23.1871 -42.5409 -4.49659 -43.6859 1.02647 TIMING: 4995800 CPU: 14823.3, 0.00296679/step Wall: 14823.3, 0.00296679/step, 0.00346125 hours remaining, 211.121094 MB of memory in use. ENERGY: 4995800 773.5855 2101.0526 1934.1720 114.8749 -205971.6272 17570.8316 0.0000 0.0000 34266.5969 -149210.5137 299.2587 -183477.1106 -149118.5588 300.0104 -196.5493 -161.0507 558148.4224 16.5510 16.6293 PRESSURE: 4996000 -117.421 -9.03951 -121.053 -9.03836 -1.26397 6.39297 -121.052 6.39193 134.405 GPRESSURE: 4996000 -76.3214 -76.305 -126.62 -19.6617 32.0109 12.9891 -140.748 -7.36324 162.825 PRESSAVG: 4996000 28.4882 -12.4418 -61.2685 -12.4418 -24.5067 33.9372 -61.2684 33.9373 -26.2985 GPRESSAVG: 4996000 30.5011 -10.5583 -59.8242 -11.6921 -25.3785 34.6583 -63.6348 31.4555 -27.3673 TIMING: 4996000 CPU: 14823.9, 0.00297024/step Wall: 14823.9, 0.00297024/step, 0.00330026 hours remaining, 211.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4996000 733.3871 2113.5764 1910.0575 107.5446 -206623.0114 17965.9911 0.0000 0.0000 34535.3589 -149257.0959 301.6059 -183792.4548 -149154.6497 298.9126 5.2398 39.5049 556967.2329 -7.4390 -7.4149 PRESSURE: 4996200 43.0547 -57.6547 -57.2405 -57.6548 123.571 92.6033 -57.2411 92.6029 42.4419 GPRESSURE: 4996200 97.1406 -104.179 -59.0118 -33.3284 125.777 34.0602 -63.4083 64.7017 89.3092 PRESSAVG: 4996200 7.0558 -20.5444 -3.92445 -20.5444 27.6538 11.0313 -3.9245 11.0313 -13.8991 GPRESSAVG: 4996200 6.57523 -22.8815 -4.52484 -21.012 27.5733 9.771 -3.36769 13.2398 -12.4969 TIMING: 4996200 CPU: 14824.5, 0.00297767/step Wall: 14824.5, 0.00297767/step, 0.00314309 hours remaining, 211.121094 MB of memory in use. ENERGY: 4996200 737.3093 2107.5782 1937.4921 110.2569 -206218.2091 17849.3437 0.0000 0.0000 34105.5698 -149370.6590 297.8524 -183476.2289 -149275.0390 298.9421 69.6893 104.0756 555581.3196 6.9368 7.2172 LDB: ============= START OF LOAD BALANCING ============== 14828 LDB: ============== END OF LOAD BALANCING =============== 14828 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14828 LDB: ============= START OF LOAD BALANCING ============== 14828.3 LDB: Largest compute 4801 load 0.021734 is 18.4% of average load 0.118350 LDB: Average compute 0.001716 is 1.4% of average load 0.118350 LDB: TIME 14828.3 LOAD: AVG 0.11835 MAX 0.196176 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.09 MB LDB: TIME 14828.3 LOAD: AVG 0.11835 MAX 0.196176 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.289 MB LDB: TIME 14828.3 LOAD: AVG 0.11835 MAX 0.196176 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 210.289 MB LDB: ============== END OF LOAD BALANCING =============== 14828.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14828.3 PRESSURE: 4996400 30.8868 -79.7092 -92.5057 -79.7096 30.7628 -114.266 -92.5066 -114.263 78.5347 GPRESSURE: 4996400 66.2876 -35.1263 1.82496 -91.0392 78.77 -113.034 -148.269 -52.6288 104.898 PRESSAVG: 4996400 19.7699 -29.3888 35.7631 -29.389 57.4591 39.1769 35.7633 39.177 -77.7636 GPRESSAVG: 4996400 18.379 -29.2374 35.0945 -29.9633 58.4339 37.4624 36.1729 39.0232 -77.1653 TIMING: 4996400 CPU: 14825.1, 0.00299371/step Wall: 14825.1, 0.00299371/step, 0.00299371 hours remaining, 210.089844 MB of memory in use. ENERGY: 4996400 732.5569 2037.2150 1909.3702 111.9578 -205933.8765 17674.7998 0.0000 0.0000 34286.8017 -149181.1751 299.4352 -183467.9768 -149087.5913 299.6152 46.7281 83.3186 555574.3456 -0.1782 -0.1175 PRESSURE: 4996600 -8.0568 38.4866 9.46497 38.4874 54.6354 113.737 9.46382 113.737 -88.2007 GPRESSURE: 4996600 18.7639 21.497 -71.9186 27.5822 61.1663 47.2902 76.2593 153.288 -18.1481 PRESSAVG: 4996600 34.8895 15.8346 12.1932 15.8346 22.2105 21.7475 12.1933 21.7476 -16.4929 GPRESSAVG: 4996600 36.861 17.2014 12.0978 16.926 21.6719 21.3251 11.8519 20.9321 -17.5944 TIMING: 4996600 CPU: 14825.7, 0.00293099/step Wall: 14825.7, 0.00293099/step, 0.00276815 hours remaining, 210.089844 MB of memory in use. ENERGY: 4996600 745.0327 2103.7826 1945.4209 114.8584 -206082.8833 17854.5070 0.0000 0.0000 34359.4165 -148959.8653 300.0693 -183319.2817 -148866.2961 299.7064 -13.8740 20.5940 557881.4275 13.5357 13.6462 PRESSURE: 4996800 -18.9752 72.4478 89.3782 72.4471 -486.87 163.498 89.3785 163.499 107.64 GPRESSURE: 4996800 8.37037 52.7378 89.3962 128.254 -395.778 190.796 129.785 126.264 79.3018 PRESSAVG: 4996800 3.30058 -57.9997 28.1942 -57.9996 -2.20875 -34.1916 28.1942 -34.1916 55.2206 GPRESSAVG: 4996800 2.73051 -58.404 26.9406 -59.936 -1.43462 -32.0468 29.1216 -34.5996 55.5176 TIMING: 4996800 CPU: 14826.3, 0.00294822/step Wall: 14826.3, 0.00294822/step, 0.00262064 hours remaining, 210.089844 MB of memory in use. ENERGY: 4996800 751.1747 2098.2223 1915.1330 123.7312 -205678.3311 17489.2359 0.0000 0.0000 34380.7644 -148920.0695 300.2558 -183300.8339 -148823.4162 300.0830 -132.7353 -102.7019 557829.2993 18.7708 18.9378 PRESSURE: 4997000 -29.377 13.6586 -2.73 13.6589 -231.153 -127.655 -2.73012 -127.656 230.08 GPRESSURE: 4997000 13.0058 -42.591 -60.4898 -5.59609 -174.144 -130.974 17.9109 -97.6988 240.869 PRESSAVG: 4997000 40.6278 7.51512 84.3118 7.51521 -42.3623 -36.6669 84.3118 -36.6669 -35.4136 GPRESSAVG: 4997000 39.551 9.4213 85.0786 7.22157 -41.5764 -37.4391 83.6712 -37.2281 -35.0115 TIMING: 4997000 CPU: 14826.8, 0.00292849/step Wall: 14826.8, 0.00292849/step, 0.00244041 hours remaining, 210.089844 MB of memory in use. ENERGY: 4997000 741.9037 2068.0181 1942.0975 118.8004 -206172.8973 17882.7190 0.0000 0.0000 34458.7256 -148960.6330 300.9366 -183419.3586 -148871.2120 300.9052 -10.1498 26.5769 557732.8933 -12.3827 -12.3457 PRESSURE: 4997200 61.9597 31.7399 -23.8987 31.7398 -31.4817 220.149 -23.898 220.149 -4.90327 GPRESSURE: 4997200 84.5939 44.797 84.7742 29.0273 29.3939 112.261 -99.1146 206.17 19.8546 PRESSAVG: 4997200 5.26513 26.4575 1.97416 26.4576 -31.5824 -4.06597 1.97413 -4.06607 17.837 GPRESSAVG: 4997200 5.41314 25.194 2.52486 30.0856 -31.7443 -4.61396 1.80526 -2.24494 17.4612 TIMING: 4997200 CPU: 14827.4, 0.00294032/step Wall: 14827.4, 0.00294032/step, 0.00228692 hours remaining, 210.089844 MB of memory in use. ENERGY: 4997200 730.7141 2119.0959 1951.3070 115.6651 -206018.2649 17752.5129 0.0000 0.0000 34321.3306 -149027.6392 299.7367 -183348.9698 -148942.0908 300.2499 8.5249 44.6141 558059.2404 -2.8268 -2.9566 PRESSURE: 4997400 -142.9 99.7808 15.7856 99.781 106.159 90.7702 15.7859 90.7698 -103.793 GPRESSURE: 4997400 -75.4429 77.7763 -16.4685 137.938 117.079 38.6145 84.578 170.765 -91.2408 PRESSAVG: 4997400 -37.5214 17.2753 -3.1944 17.2753 16.5421 24.1649 -3.19447 24.1649 26.1325 GPRESSAVG: 4997400 -38.0077 16.8033 -2.84113 15.7528 16.6265 24.5115 -3.90311 22.2316 26.0535 TIMING: 4997400 CPU: 14828, 0.00293722/step Wall: 14828, 0.00293722/step, 0.00212133 hours remaining, 210.089844 MB of memory in use. ENERGY: 4997400 758.7613 2103.4427 1943.4507 118.7150 -206056.2953 17791.9329 0.0000 0.0000 34345.5507 -148994.4419 299.9482 -183339.9926 -148894.8789 299.4508 -46.8447 -16.5350 558408.9832 1.7177 1.5574 PRESSURE: 4997600 54.7834 -20.3024 3.2493 -20.3021 234.223 -116.63 3.24757 -116.629 83.8151 GPRESSURE: 4997600 81.2566 38.2785 -8.02622 -19.0965 234.546 -194.412 29.394 -58.0538 151.346 PRESSAVG: 4997600 -75.3639 4.46452 13.1103 4.46447 75.8303 -70.7173 13.1103 -70.7172 0.526195 GPRESSAVG: 4997600 -74.4026 4.35219 13.2117 4.84761 74.2157 -71.9812 13.8792 -70.7018 1.2225 TIMING: 4997600 CPU: 14828.6, 0.002951/step Wall: 14828.6, 0.002951/step, 0.00196734 hours remaining, 210.089844 MB of memory in use. ENERGY: 4997600 705.0611 2089.9804 1933.1990 132.4798 -206169.5206 17952.1869 0.0000 0.0000 34289.7148 -149066.8985 299.4606 -183356.6134 -148978.3153 300.2003 124.2738 155.7163 558469.2928 0.3309 0.3452 PRESSURE: 4997800 140.698 126.889 202.83 126.89 -167.941 102.401 202.83 102.401 44.7413 GPRESSURE: 4997800 159.316 16.0239 193.653 157.839 -101.499 81.4123 158.538 138.831 70.903 PRESSAVG: 4997800 6.35968 40.8408 33.8342 40.8408 24.9767 31.0727 33.8342 31.0726 10.1928 GPRESSAVG: 4997800 7.33334 40.5659 33.5728 41.4027 25.0707 31.1569 34.8518 32.2281 9.13047 TIMING: 4997800 CPU: 14829.2, 0.00295757/step Wall: 14829.2, 0.00295757/step, 0.0018074 hours remaining, 210.089844 MB of memory in use. ENERGY: 4997800 759.8554 2064.5154 1959.4864 113.9245 -206489.2181 18051.0016 0.0000 0.0000 34366.9570 -149173.4777 300.1352 -183540.4347 -149087.0629 298.9643 5.8326 42.9065 557648.9210 13.8431 13.8449 PRESSURE: 4998000 119.086 70.6002 -64.4726 70.5986 -285.878 -37.7062 -64.4733 -37.7062 -21.3475 GPRESSURE: 4998000 158.002 101.631 -92.9807 4.51689 -280.428 0.516096 -73.0762 -3.32192 27.6746 PRESSAVG: 4998000 29.5359 38.1475 13.399 38.1476 -74.5256 16.0726 13.3991 16.0726 33.1352 GPRESSAVG: 4998000 28.3444 38.2125 14.4129 37.1658 -74.9256 15.0975 12.5379 17.241 34.2725 TIMING: 4998000 CPU: 14829.8, 0.00295366/step Wall: 14829.8, 0.00295366/step, 0.00164092 hours remaining, 210.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4998000 743.3154 2068.3487 1964.5117 116.2444 -206204.9774 17892.3293 0.0000 0.0000 34297.4701 -149122.7578 299.5283 -183420.2279 -149025.7316 299.5703 -62.7131 -31.5836 557038.7624 -3.9515 -4.1029 PRESSURE: 4998200 62.5038 137.191 10.1844 137.19 36.3056 71.6842 10.1842 71.6845 -293.705 GPRESSURE: 4998200 131.679 107.232 -13.4762 199.702 32.8294 47.1647 72.2698 216.147 -273.351 PRESSAVG: 4998200 -60.4608 5.25484 -64.6578 5.25471 6.77225 13.2784 -64.6578 13.2783 16.2977 GPRESSAVG: 4998200 -60.5114 6.44173 -62.7001 5.62389 6.92216 15.9783 -65.9069 9.61278 16.4092 TIMING: 4998200 CPU: 14830.4, 0.00293885/step Wall: 14830.4, 0.00293885/step, 0.00146943 hours remaining, 210.089844 MB of memory in use. ENERGY: 4998200 755.8166 2089.2243 1923.1832 107.4701 -205856.3878 17682.0778 0.0000 0.0000 34282.7942 -149015.8218 299.4002 -183298.6160 -148918.6985 299.8594 -64.9653 -36.2809 557888.9444 -12.4636 -12.3934 PRESSURE: 4998400 32.6357 113.86 -155.269 113.86 41.4651 -67.8265 -155.268 -67.8261 -122.949 GPRESSURE: 4998400 17.0714 158.933 -98.172 107.104 42.204 -45.091 -127.646 -59.8815 -18.9531 PRESSAVG: 4998400 29.6431 70.9691 5.87449 70.9692 -57.5272 21.5943 5.87453 21.5943 -58.2931 GPRESSAVG: 4998400 30.4169 73.2592 2.92397 69.028 -57.7289 21.249 7.37167 22.0319 -58.5109 TIMING: 4998400 CPU: 14831, 0.00292956/step Wall: 14831, 0.00292956/step, 0.00130203 hours remaining, 210.089844 MB of memory in use. ENERGY: 4998400 752.3966 2113.2656 1928.0904 119.6023 -205792.6836 17671.0887 0.0000 0.0000 34189.5754 -149018.6646 298.5861 -183208.2400 -148919.2952 299.2933 -16.2828 13.4408 556857.1557 -28.7257 -28.6076 PRESSURE: 4998600 -63.7298 9.02708 -2.81342 9.0269 -225.077 178.692 -2.81425 178.692 -150.737 GPRESSURE: 4998600 -63.8376 -58.0039 21.5912 22.2548 -224.621 25.4646 -63.2979 226.33 -58.1175 PRESSAVG: 4998600 59.643 46.2987 9.70015 46.2986 8.99877 73.5465 9.70015 73.5465 -35.3962 GPRESSAVG: 4998600 58.7043 45.0129 10.3427 46.4411 8.46406 71.3621 9.70858 74.6211 -34.6824 TIMING: 4998600 CPU: 14831.6, 0.00291835/step Wall: 14831.6, 0.00291835/step, 0.00113492 hours remaining, 210.089844 MB of memory in use. ENERGY: 4998600 751.0197 2162.3230 1923.1605 110.6362 -206011.1232 17684.9083 0.0000 0.0000 34286.0435 -149093.0320 299.4285 -183379.0755 -148995.2422 299.6356 -146.5147 -115.5253 557320.9264 11.0819 10.8287 PRESSURE: 4998800 123.18 42.8131 -84.294 42.8114 274.015 120.709 -84.2929 120.71 65.8751 GPRESSURE: 4998800 148.474 -3.85638 -61.9777 33.863 375.43 41.3321 -26.1997 133.843 36.5856 PRESSAVG: 4998800 3.74729 -45.0615 38.6047 -45.0616 9.7195 62.7895 38.6047 62.7895 1.05012 GPRESSAVG: 4998800 3.88323 -46.1964 39.1313 -43.7113 11.1359 62.6663 38.2855 62.4154 0.0643249 TIMING: 4998800 CPU: 14832.1, 0.00291338/step Wall: 14832.1, 0.00291338/step, 0.000971125 hours remaining, 210.089844 MB of memory in use. ENERGY: 4998800 690.2315 2072.9800 1944.5951 105.8622 -206315.1565 17973.9876 0.0000 0.0000 34428.5629 -149098.9372 300.6732 -183527.5001 -148996.3274 299.5852 154.3565 186.8296 557751.4391 4.8390 5.0278 PRESSURE: 4999000 38.5867 60.9566 -39.8968 60.957 -116.303 159.347 -39.8972 159.346 -113.961 GPRESSURE: 4999000 74.7669 88.5726 16.4602 48.3793 -92.0803 169.575 -57.7936 103.325 -66.8569 PRESSAVG: 4999000 21.0742 5.31874 18.4948 5.31873 5.85579 47.349 18.4947 47.349 -56.4422 GPRESSAVG: 4999000 21.5923 5.3732 16.4697 5.79353 5.09574 46.6882 19.6469 47.8838 -55.6852 TIMING: 4999000 CPU: 14832.7, 0.00293965/step Wall: 14832.7, 0.00293965/step, 0.00081657 hours remaining, 210.089844 MB of memory in use. ENERGY: 4999000 756.1112 2037.8949 1905.8808 115.3330 -205815.5072 17688.7992 0.0000 0.0000 34221.6775 -149089.8106 298.8664 -183311.4881 -148999.4820 299.3086 -63.8923 -28.0568 557266.9129 -9.8374 -9.6657 PRESSURE: 4999200 68.6608 78.7446 -59.3708 78.7451 -353.654 50.8342 -59.3723 50.8355 -74.2828 GPRESSURE: 4999200 73.3976 26.3218 -51.862 73.2715 -298.772 84.4499 -82.9707 49.081 -46.628 PRESSAVG: 4999200 21.9444 -45.4199 33.4564 -45.4198 -61.556 5.17918 33.4565 5.17929 6.94313 GPRESSAVG: 4999200 21.8381 -46.2443 33.8615 -45.8584 -61.3351 6.13639 32.1429 5.67567 6.41272 TIMING: 4999200 CPU: 14833.3, 0.00292212/step Wall: 14833.3, 0.00292212/step, 0.00064936 hours remaining, 210.089844 MB of memory in use. ENERGY: 4999200 755.4085 2055.2082 1931.3820 113.6500 -205705.3215 17534.5393 0.0000 0.0000 34324.6855 -148990.4479 299.7660 -183315.1335 -148896.2002 299.5600 -119.7588 -90.6674 558331.4297 -10.8895 -11.0281 PRESSURE: 4999400 -319.37 191.901 10.1508 191.902 -278.981 -36.6339 10.149 -36.6327 -135.401 GPRESSURE: 4999400 -257.065 266.962 58.8122 128.76 -243.642 6.39327 1.34804 -23.7131 -141.844 PRESSAVG: 4999400 24.9099 28.068 6.51266 28.068 -1.13385 -8.84068 6.51281 -8.84059 -12.201 GPRESSAVG: 4999400 26.0371 29.4783 8.49314 28.128 -1.83591 -9.07624 5.53535 -8.17692 -12.1153 TIMING: 4999400 CPU: 14833.9, 0.00291742/step Wall: 14833.9, 0.00291742/step, 0.000486237 hours remaining, 210.089844 MB of memory in use. ENERGY: 4999400 732.2162 2050.3176 1937.2150 104.1496 -205697.7046 17352.3032 0.0000 0.0000 34354.8522 -149166.6508 300.0295 -183521.5030 -149073.0934 300.2050 -244.5837 -214.1833 558081.5768 3.8583 4.0286 PRESSURE: 4999600 -248.06 270.77 7.12429 270.769 -266.074 -80.9036 7.12315 -80.9028 -33.5812 GPRESSURE: 4999600 -263.054 286.177 11.0647 242.97 -223.177 -86.4236 30.7868 -90.4204 49.6198 PRESSAVG: 4999600 -2.011 114.842 -7.29227 114.842 13.0025 -21.3888 -7.29229 -21.3887 14.3558 GPRESSAVG: 4999600 -1.8464 114.607 -7.70107 114.507 13.6389 -20.2734 -6.66214 -24.1713 14.0597 TIMING: 4999600 CPU: 14834.5, 0.00291497/step Wall: 14834.5, 0.00291497/step, 0.000323886 hours remaining, 210.089844 MB of memory in use. ENERGY: 4999600 740.0189 2078.7628 1970.7423 109.8816 -205938.4561 17614.4590 0.0000 0.0000 34524.0112 -148900.5803 301.5068 -183424.5914 -148797.6373 300.0729 -182.5716 -145.5371 558380.0950 8.4491 8.6174 PRESSURE: 4999800 51.5268 -94.4901 72.5702 -94.4891 3.84284 -125.73 72.5709 -125.73 65.4997 GPRESSURE: 4999800 106.428 -108.325 0.619089 -79.3577 53.5106 -112.858 117.194 -165.34 60.3363 PRESSAVG: 4999800 -21.3064 1.3475 8.01137 1.34751 7.97136 -30.1287 8.01134 -30.1287 5.51983 GPRESSAVG: 4999800 -21.0027 -1.13875 9.68077 3.12355 7.88058 -29.0799 7.52046 -29.048 5.18345 TIMING: 4999800 CPU: 14835.1, 0.00293317/step Wall: 14835.1, 0.00293317/step, 0.000162954 hours remaining, 210.089844 MB of memory in use. ENERGY: 4999800 743.5242 2118.8648 1928.6529 115.9662 -205810.0862 17749.8472 0.0000 0.0000 34301.8167 -148851.4141 299.5663 -183153.2309 -148750.3916 300.2436 40.2898 73.4250 557200.5722 -2.6051 -2.6462 PRESSURE: 5000000 -48.2915 -177.742 -109.209 -177.742 -152.508 -101.499 -109.21 -101.499 -92.9016 GPRESSURE: 5000000 -86.7719 -154.021 -116.395 -204.073 -86.5187 -26.3065 -56.7522 -65.9 -17.8246 PRESSAVG: 5000000 1.01697 -64.3774 -1.14159 -64.3775 1.5527 -7.81384 -1.14159 -7.81379 -24.1886 GPRESSAVG: 5000000 -0.0325039 -64.6658 -2.89518 -64.2436 2.21662 -6.88426 1.03374 -9.30278 -23.5694 TIMING: 5000000 CPU: 14835.6, 0.00294584/step Wall: 14835.6, 0.00294584/step, 0 hours remaining, 210.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 5000000 730.4294 2113.6120 1911.4627 112.9055 -205736.5864 17669.6267 0.0000 0.0000 34235.5605 -148962.9897 298.9877 -183198.5502 -148866.4844 301.2076 -97.9004 -63.7051 558958.5122 -7.2063 -7.1284 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5000000 WRITING COORDINATES TO DCD FILE MD.4.dcd AT STEP 5000000 WRITING COORDINATES TO RESTART FILE AT STEP 5000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 5000000 FINISHED WRITING RESTART VELOCITIES WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 5000000 CLOSING EXTENDED SYSTEM TRAJECTORY FILE WRITING COORDINATES TO OUTPUT FILE AT STEP 5000000 CLOSING COORDINATE DCD FILE MD.4.dcd WRITING VELOCITIES TO OUTPUT FILE AT STEP 5000000 ==================================================== WallClock: 14839.358398 CPUTime: 14839.358398 Memory: 210.203125 MB [Partition 0][Node 0] End of program Application 48620087 resources: utime ~2341065s, stime ~28678s, Rss ~219204, inblocks ~403792, outblocks ~1030568